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@@](C)(CC)[NH2+]C[C@H](O)c1ccccc1F ZINC000384124005 710616844 /nfs/dbraw/zinc/61/68/44/710616844.db2.gz APBWDTRPDSKGIA-KBPBESRZSA-N 1 0 235.302 2.251 20 30 BEEDRO C=CCN1CCCc2cc(C[NH3+])ccc21 ZINC000381445907 710637540 /nfs/dbraw/zinc/63/75/40/710637540.db2.gz FSTIQOIRVJWWLP-UHFFFAOYSA-N 1 0 202.301 2.084 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CC1(CC#N)CC1 ZINC000381485877 710644535 /nfs/dbraw/zinc/64/45/35/710644535.db2.gz VIJWFCHFYOLCJJ-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CCCCCCCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000381668688 710669510 /nfs/dbraw/zinc/66/95/10/710669510.db2.gz BOKTWHRUNHQHJE-GHMZBOCLSA-N 1 0 214.353 2.199 20 30 BEEDRO CC[N@H+](Cc1cncc(C#N)c1)C1CCC1 ZINC000721571827 710682957 /nfs/dbraw/zinc/68/29/57/710682957.db2.gz KOZUQGVFIACWDJ-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000381828339 710724671 /nfs/dbraw/zinc/72/46/71/710724671.db2.gz NADYGFHIXMDIIG-REWJHTLYSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001039326800 710725345 /nfs/dbraw/zinc/72/53/45/710725345.db2.gz NMBVBKIQDANTTF-KGLIPLIRSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001039354931 710726194 /nfs/dbraw/zinc/72/61/94/710726194.db2.gz UZVFQTPJSCUCJL-YCYRZOEZSA-N 1 0 248.370 2.204 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1C ZINC000724156571 710738048 /nfs/dbraw/zinc/73/80/48/710738048.db2.gz KKIYZZPOVYYQHH-CABCVRRESA-N 1 0 244.338 2.476 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000724553763 710742487 /nfs/dbraw/zinc/74/24/87/710742487.db2.gz NNOCPTNFLSCNHV-LBPRGKRZSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001041036704 710762973 /nfs/dbraw/zinc/76/29/73/710762973.db2.gz LCYHTIKNHDHIIS-OAHLLOKOSA-N 1 0 248.370 2.063 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C#N)o1 ZINC000384183622 710806836 /nfs/dbraw/zinc/80/68/36/710806836.db2.gz RFRQYLIQJQUSID-LBPRGKRZSA-N 1 0 202.257 2.043 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)[C@@H](C)C1 ZINC001044513667 710828140 /nfs/dbraw/zinc/82/81/40/710828140.db2.gz LTSKUXJCXSTEOV-GXTWGEPZSA-N 1 0 248.370 2.108 20 30 BEEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000384274821 710849861 /nfs/dbraw/zinc/84/98/61/710849861.db2.gz BVNDCCPGJUMYHP-SDDRHHMPSA-N 1 0 210.321 2.035 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903085079 710889788 /nfs/dbraw/zinc/88/97/88/710889788.db2.gz PPKDNSKXCIFENL-GMXVVIOVSA-N 1 0 247.342 2.153 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903084886 710890022 /nfs/dbraw/zinc/89/00/22/710890022.db2.gz LTUWDQGVDANEGC-NSHDSACASA-N 1 0 236.363 2.458 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000903108973 710892326 /nfs/dbraw/zinc/89/23/26/710892326.db2.gz JKHQBUYUYALZGI-CHWSQXEVSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[N@@H+](CC)C/C=C/C(=O)OCC ZINC000382523306 710945913 /nfs/dbraw/zinc/94/59/13/710945913.db2.gz CIFDQRALRIFWDJ-BQYQJAHWSA-N 1 0 211.305 2.004 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](O)[C@H](CO)C1 ZINC000396838154 710908986 /nfs/dbraw/zinc/90/89/86/710908986.db2.gz GABFZXPWXHSDBC-UONOGXRCSA-N 1 0 243.391 2.022 20 30 BEEDRO C#CCCCC[NH2+]Cc1cc(OC)ns1 ZINC000399105191 710912796 /nfs/dbraw/zinc/91/27/96/710912796.db2.gz GUIDQXURXOVGGL-UHFFFAOYSA-N 1 0 224.329 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C ZINC001054642579 710940303 /nfs/dbraw/zinc/94/03/03/710940303.db2.gz HHRIFLSFVQYXLO-RISCZKNCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](NC(=O)CC)CC1 ZINC001052127354 710959885 /nfs/dbraw/zinc/95/98/85/710959885.db2.gz VUZJBXSYRSTQIN-NSHDSACASA-N 1 0 244.766 2.120 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H]1C ZINC000133180375 710969543 /nfs/dbraw/zinc/96/95/43/710969543.db2.gz LENHHTXSXRWLJD-GXTWGEPZSA-N 1 0 229.323 2.444 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1ccccc1OC ZINC000384228044 710991588 /nfs/dbraw/zinc/99/15/88/710991588.db2.gz VXHXKSIUHVWKEU-HNNXBMFYSA-N 1 0 247.338 2.466 20 30 BEEDRO COc1cccc(C[N@H+](C)CCO[C@H](C)C#N)c1 ZINC000385473427 711012680 /nfs/dbraw/zinc/01/26/80/711012680.db2.gz HEHGRZKXEMKWMK-GFCCVEGCSA-N 1 0 248.326 2.056 20 30 BEEDRO C=CCCCCNC(=O)CC[NH2+]C(C)(C)C ZINC000380701657 712902535 /nfs/dbraw/zinc/90/25/35/712902535.db2.gz LABKNLXRFOIRCW-UHFFFAOYSA-N 1 0 226.364 2.237 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(C)c(C)c1 ZINC000385686932 711016560 /nfs/dbraw/zinc/01/65/60/711016560.db2.gz DGADHLPZZGDUBO-UHFFFAOYSA-N 1 0 244.382 2.348 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000386921316 711037594 /nfs/dbraw/zinc/03/75/94/711037594.db2.gz RLFCIKISRCTDCH-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CSCCS2)C1 ZINC000389889244 711095036 /nfs/dbraw/zinc/09/50/36/711095036.db2.gz UPZUARRAQLIVGX-MXWKQRLJSA-N 1 0 242.413 2.117 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000389898739 711095902 /nfs/dbraw/zinc/09/59/02/711095902.db2.gz BPBJZRFNBPVZPM-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@H]1CCCO1 ZINC000390157136 711107483 /nfs/dbraw/zinc/10/74/83/711107483.db2.gz XFLIVTGKJYBWFS-YNEHKIRRSA-N 1 0 219.328 2.090 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)[C@H]1CCCO1 ZINC000390487088 711120666 /nfs/dbraw/zinc/12/06/66/711120666.db2.gz OZUSGELQRMTCHD-MROQNXINSA-N 1 0 221.344 2.191 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000392779801 711151628 /nfs/dbraw/zinc/15/16/28/711151628.db2.gz YQOJBJXDEGTKHN-CABCVRRESA-N 1 0 236.403 2.500 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000393621206 711166877 /nfs/dbraw/zinc/16/68/77/711166877.db2.gz QVYJKYHDGDJXHB-UHFFFAOYSA-N 1 0 245.366 2.425 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccsc1C)[C@H]1CCCO1 ZINC000393938438 711179634 /nfs/dbraw/zinc/17/96/34/711179634.db2.gz SZQVSUNKUPECQJ-CHWSQXEVSA-N 1 0 235.352 2.327 20 30 BEEDRO C=C(Cl)CN1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001071278747 711183272 /nfs/dbraw/zinc/18/32/72/711183272.db2.gz IPNJQGBVRZGONC-WDEREUQCSA-N 1 0 244.766 2.118 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C2CC=CC2)CC[C@H]1C ZINC001071401679 711191144 /nfs/dbraw/zinc/19/11/44/711191144.db2.gz OQMTWVMYUQIEAQ-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071415605 711191338 /nfs/dbraw/zinc/19/13/38/711191338.db2.gz BYVGPLIILJVPQP-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000394425440 711191758 /nfs/dbraw/zinc/19/17/58/711191758.db2.gz BNBUPIRQVQCHSW-WPRPVWTQSA-N 1 0 205.729 2.390 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C1CC(C)(C)C1 ZINC000395468436 711212065 /nfs/dbraw/zinc/21/20/65/711212065.db2.gz IUDRNROJYFWSTJ-JTQLQIEISA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C1CC(C)(C)C1 ZINC000395468441 711212269 /nfs/dbraw/zinc/21/22/69/711212269.db2.gz IUDRNROJYFWSTJ-SNVBAGLBSA-N 1 0 210.321 2.035 20 30 BEEDRO N#CCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000399013040 711418292 /nfs/dbraw/zinc/41/82/92/711418292.db2.gz CMNPHKDMZLGECQ-OKILXGFUSA-N 1 0 212.296 2.204 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000381279873 710615940 /nfs/dbraw/zinc/61/59/40/710615940.db2.gz XVWKGMPRXGCDMJ-OLZOCXBDSA-N 1 0 223.360 2.441 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC000381420585 710635311 /nfs/dbraw/zinc/63/53/11/710635311.db2.gz XGJGZACJJNLZJC-TZMCWYRMSA-N 1 0 217.312 2.119 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001039354930 710725891 /nfs/dbraw/zinc/72/58/91/710725891.db2.gz UZVFQTPJSCUCJL-KYYFYTAESA-N 1 0 248.370 2.204 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CC1 ZINC000724565351 710742722 /nfs/dbraw/zinc/74/27/22/710742722.db2.gz CWRJOWHHMSKAKN-GXTWGEPZSA-N 1 0 222.376 2.273 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001041903880 710771199 /nfs/dbraw/zinc/77/11/99/710771199.db2.gz LOOGODGPEBUTMK-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCN[NH+]=C(CC)c1cccc(N)c1 ZINC000382111863 710787553 /nfs/dbraw/zinc/78/75/53/710787553.db2.gz KSSHUAXWXMFSPI-UHFFFAOYSA-N 1 0 203.289 2.159 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CC1CCCC1 ZINC000384210795 710833939 /nfs/dbraw/zinc/83/39/39/710833939.db2.gz OSWSQLVEEGFFSW-KGLIPLIRSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NCCCCC ZINC000384222876 710835474 /nfs/dbraw/zinc/83/54/74/710835474.db2.gz TVMYNDNVQLZXFS-OCCSQVGLSA-N 1 0 238.375 2.073 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCC12CCOCC2 ZINC000903102399 710890678 /nfs/dbraw/zinc/89/06/78/710890678.db2.gz YAZMEZTVMWLDIT-NSHDSACASA-N 1 0 222.332 2.085 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000903108782 710891988 /nfs/dbraw/zinc/89/19/88/710891988.db2.gz GYFVVCLCXIDEMN-QWRGUYRKSA-N 1 0 204.317 2.458 20 30 BEEDRO COc1cccc([C@H](C)[NH2+]CC2(C#N)CC2)c1O ZINC000903106964 710891991 /nfs/dbraw/zinc/89/19/91/710891991.db2.gz ZISLFCRVGWZDIL-JTQLQIEISA-N 1 0 246.310 2.355 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C)CC1 ZINC001049488919 710900456 /nfs/dbraw/zinc/90/04/56/710900456.db2.gz CURIBHVIVCRVGV-STQMWFEESA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(CC)CC)C[C@@H]1C ZINC001054382330 710933218 /nfs/dbraw/zinc/93/32/18/710933218.db2.gz HCDXUTKHWBIUIC-WCQYABFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCC)C1 ZINC001054966195 710943769 /nfs/dbraw/zinc/94/37/69/710943769.db2.gz JJIKDFRGLZQXBP-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C/C)[C@@H]2C1 ZINC001050012246 710950214 /nfs/dbraw/zinc/95/02/14/710950214.db2.gz BWIYSVVXIOSINI-ODYZYYDOSA-N 1 0 248.370 2.061 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@H](O)[C@@H](CO)C1 ZINC000396838148 711371090 /nfs/dbraw/zinc/37/10/90/711371090.db2.gz GABFZXPWXHSDBC-KGLIPLIRSA-N 1 0 243.391 2.022 20 30 BEEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000396919966 711373536 /nfs/dbraw/zinc/37/35/36/711373536.db2.gz QIDAKQATYWTAJT-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[N@H+]1CCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC001072600828 711383181 /nfs/dbraw/zinc/38/31/81/711383181.db2.gz HHKGCODTXPZEQK-WLRTZDKTSA-N 1 0 248.370 2.063 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]CC#Cc1ccccc1 ZINC000397699458 711389237 /nfs/dbraw/zinc/38/92/37/711389237.db2.gz HSTZNIITWLTGPY-CQSZACIVSA-N 1 0 231.339 2.036 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000397786532 711392326 /nfs/dbraw/zinc/39/23/26/711392326.db2.gz YJLPEPCBZQPZON-KBPBESRZSA-N 1 0 236.403 2.356 20 30 BEEDRO CCNC(NCc1csc(C)c1C)=[NH+]CC ZINC000399972602 711437367 /nfs/dbraw/zinc/43/73/67/711437367.db2.gz BTLFVOPTCWLVKM-UHFFFAOYSA-N 1 0 239.388 2.440 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC)[C@H]1C ZINC001074535194 711443045 /nfs/dbraw/zinc/44/30/45/711443045.db2.gz QCYSBSRWZRTDHY-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723623942 711526436 /nfs/dbraw/zinc/52/64/36/711526436.db2.gz JLYIEDLPDVEICH-WUHRBBMRSA-N 1 0 209.333 2.356 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723626637 711526508 /nfs/dbraw/zinc/52/65/08/711526508.db2.gz CBJBDYVYMXGXOS-MGPQQGTHSA-N 1 0 221.344 2.195 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000723978774 711550149 /nfs/dbraw/zinc/55/01/49/711550149.db2.gz SHESTLPMXDMOQM-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000723978771 711550410 /nfs/dbraw/zinc/55/04/10/711550410.db2.gz SHESTLPMXDMOQM-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723994322 711552246 /nfs/dbraw/zinc/55/22/46/711552246.db2.gz MIJGKPOWOOCMHF-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000724160458 711565127 /nfs/dbraw/zinc/56/51/27/711565127.db2.gz RYAHABWWOFLIMQ-KGLIPLIRSA-N 1 0 230.311 2.167 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000724160457 711565493 /nfs/dbraw/zinc/56/54/93/711565493.db2.gz RYAHABWWOFLIMQ-KBPBESRZSA-N 1 0 230.311 2.167 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000724163681 711565900 /nfs/dbraw/zinc/56/59/00/711565900.db2.gz PTVMJVIAEDBRNL-CABCVRRESA-N 1 0 244.338 2.476 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)s1 ZINC000716927880 711587665 /nfs/dbraw/zinc/58/76/65/711587665.db2.gz DPDKFZPGFDSRTL-LLVKDONJSA-N 1 0 223.341 2.184 20 30 BEEDRO C=CC[C@@H]1CCN1CC(=O)OCc1ccccc1 ZINC000934469402 711587772 /nfs/dbraw/zinc/58/77/72/711587772.db2.gz UACBAMTYBAHLLY-CQSZACIVSA-N 1 0 245.322 2.380 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(C)c1 ZINC000716928567 711587868 /nfs/dbraw/zinc/58/78/68/711587868.db2.gz KWOSIJRYFWADCO-CQSZACIVSA-N 1 0 217.312 2.123 20 30 BEEDRO C#C[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000934518526 711591153 /nfs/dbraw/zinc/59/11/53/711591153.db2.gz JMPMAMUHQHLJSL-UONOGXRCSA-N 1 0 233.355 2.433 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cn(CC)nn2)CC1 ZINC000724585537 711595848 /nfs/dbraw/zinc/59/58/48/711595848.db2.gz GKRZRBWHBODOBC-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO CCC[C@]1([NH2+]Cc2cncc(C#N)c2)CCOC1 ZINC000721544123 711621006 /nfs/dbraw/zinc/62/10/06/711621006.db2.gz JSIVYNYPBPSOLT-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO CC[N@H+](CCC#N)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724857526 711621431 /nfs/dbraw/zinc/62/14/31/711621431.db2.gz CTARBPVOVSBVOQ-ITGUQSILSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1C[C@H](C[NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000724858270 711621461 /nfs/dbraw/zinc/62/14/61/711621461.db2.gz JSVWFIVXQZHHMP-IMRBUKKESA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](CCO)C1CCCC1 ZINC000725076172 711649994 /nfs/dbraw/zinc/64/99/94/711649994.db2.gz BKWMSDLQHYCIBX-AAEUAGOBSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cncc(C#N)c2)[C@H]1C ZINC000721597281 711656738 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/nfs/dbraw/zinc/73/00/27/711730027.db2.gz KCZCFZIUFBIPLM-FRRDWIJNSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001027826077 711736889 /nfs/dbraw/zinc/73/68/89/711736889.db2.gz LPQOVTIRXVMARV-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1ccc(C)cc1 ZINC000083151039 711738109 /nfs/dbraw/zinc/73/81/09/711738109.db2.gz WUEUYZOFLMQRDS-UHFFFAOYSA-N 1 0 231.343 2.018 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1cccc(C)n1 ZINC000399862789 711762228 /nfs/dbraw/zinc/76/22/28/711762228.db2.gz UYUNJDJEHGVBIE-CQSZACIVSA-N 1 0 216.328 2.324 20 30 BEEDRO CC(C)NC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000303865037 711772454 /nfs/dbraw/zinc/77/24/54/711772454.db2.gz BNCAZQLYCUJVKQ-UHFFFAOYSA-N 1 0 249.333 2.170 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253092530 711775513 /nfs/dbraw/zinc/77/55/13/711775513.db2.gz LCJRCAFHIOTYGK-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO C#Cc1cccc(NCC2CC[NH+](C)CC2)c1 ZINC000054239473 711782596 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711951408 /nfs/dbraw/zinc/95/14/08/711951408.db2.gz YYJIQRJLHGTAMW-NSHDSACASA-N 1 0 230.311 2.403 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001032901115 711967039 /nfs/dbraw/zinc/96/70/39/711967039.db2.gz NERYLJPSAAZGPX-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC=CC2)C1 ZINC001032980511 711970327 /nfs/dbraw/zinc/97/03/27/711970327.db2.gz IXNJDSZTZVRPJG-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001033332781 711984079 /nfs/dbraw/zinc/98/40/79/711984079.db2.gz PIVUBRQWSOCKLL-UKRRQHHQSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCSCC[NH2+]Cc1cncc(OC)c1 ZINC000700049202 711985026 /nfs/dbraw/zinc/98/50/26/711985026.db2.gz QCALMGCXLOTMGA-UHFFFAOYSA-N 1 0 238.356 2.099 20 30 BEEDRO COCC1([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000700063662 711985460 /nfs/dbraw/zinc/98/54/60/711985460.db2.gz RKSCBBYWSVVGNG-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1C#N ZINC000700705250 712003723 /nfs/dbraw/zinc/00/37/23/712003723.db2.gz UABUAAKEFQMOIW-LBPRGKRZSA-N 1 0 244.338 2.335 20 30 BEEDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1C#N ZINC000700712985 712003963 /nfs/dbraw/zinc/00/39/63/712003963.db2.gz VQZGPUSRNMAKPY-OKILXGFUSA-N 1 0 212.296 2.318 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000701023967 712012406 /nfs/dbraw/zinc/01/24/06/712012406.db2.gz FQUNIRVCXJDINW-JXUBOQSCSA-N 1 0 248.164 2.297 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000701023969 712012445 /nfs/dbraw/zinc/01/24/45/712012445.db2.gz FQUNIRVCXJDINW-KATARQTJSA-N 1 0 248.164 2.297 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701881417 712031374 /nfs/dbraw/zinc/03/13/74/712031374.db2.gz VQSJUOAJQUZZML-AWEZNQCLSA-N 1 0 232.327 2.381 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001034139678 712041510 /nfs/dbraw/zinc/04/15/10/712041510.db2.gz ALOMEWMIGNATKY-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)C(C)(C)C ZINC000702278928 712045146 /nfs/dbraw/zinc/04/51/46/712045146.db2.gz ZSSXKVIGTSOWEZ-XQQFMLRXSA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000702278922 712045174 /nfs/dbraw/zinc/04/51/74/712045174.db2.gz ZSSXKVIGTSOWEZ-AGIUHOORSA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(OC)s1)C(C)(C)C ZINC000702276743 712045302 /nfs/dbraw/zinc/04/53/02/712045302.db2.gz ORRMXGRQYWNCCK-SNVBAGLBSA-N 1 0 238.356 2.289 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C)(O)CC1)C(C)(C)C ZINC000703024536 712065294 /nfs/dbraw/zinc/06/52/94/712065294.db2.gz HWTHFERRSCODRD-MBHSVXNSSA-N 1 0 223.360 2.318 20 30 BEEDRO C=CC[C@@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000703698620 712084306 /nfs/dbraw/zinc/08/43/06/712084306.db2.gz PJPVMOCDFJKOIR-GFCCVEGCSA-N 1 0 232.327 2.366 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000703751468 712084875 /nfs/dbraw/zinc/08/48/75/712084875.db2.gz CMRRDASQHZRXKP-GFCCVEGCSA-N 1 0 226.364 2.215 20 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C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC)C[C@H]1C ZINC001035876056 712146701 /nfs/dbraw/zinc/14/67/01/712146701.db2.gz SONDHHNDZIPVOL-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000706901642 712159732 /nfs/dbraw/zinc/15/97/32/712159732.db2.gz OVTCGKRFCUVASQ-OCCSQVGLSA-N 1 0 228.295 2.031 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001036271482 712165289 /nfs/dbraw/zinc/16/52/89/712165289.db2.gz KBWMXOLOCMLBPP-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2CC3CCC2CC3)CC1 ZINC000708087646 712180809 /nfs/dbraw/zinc/18/08/09/712180809.db2.gz JKPYLXMHCNACDK-YMAMQOFZSA-N 1 0 247.382 2.273 20 30 BEEDRO C#CC1(O)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000708135345 712182481 /nfs/dbraw/zinc/18/24/81/712182481.db2.gz ZDHGFGMDVHEOMS-ZDUSSCGKSA-N 1 0 229.323 2.208 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(CC)c1O ZINC000709395860 712220957 /nfs/dbraw/zinc/22/09/57/712220957.db2.gz BDXFHUSBIPTPCX-AWEZNQCLSA-N 1 0 249.354 2.371 20 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1 0 209.333 2.092 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000711147211 712286590 /nfs/dbraw/zinc/28/65/90/712286590.db2.gz WPPYAEZKIDZUIZ-AWEZNQCLSA-N 1 0 242.322 2.359 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711399745 712298115 /nfs/dbraw/zinc/29/81/15/712298115.db2.gz FECXXNJQGDKVNQ-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CF)C2)c(F)c1 ZINC000711436275 712300080 /nfs/dbraw/zinc/30/00/80/712300080.db2.gz ULMWSORHHOTHRN-LLVKDONJSA-N 1 0 236.265 2.489 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1F ZINC000711447863 712301401 /nfs/dbraw/zinc/30/14/01/712301401.db2.gz NWYWZZYJRQREEL-NSHDSACASA-N 1 0 236.265 2.489 20 30 BEEDRO CCCCCCCCN1CCC[C@@]([NH3+])(CO)C1 ZINC000923479128 712334776 /nfs/dbraw/zinc/33/47/76/712334776.db2.gz MAAFVCLQNNXYOZ-AWEZNQCLSA-N 1 0 242.407 2.133 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711906598 712337399 /nfs/dbraw/zinc/33/73/99/712337399.db2.gz IWAGXBJLIMWOAG-QWHCGFSZSA-N 1 0 234.343 2.085 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712254470 712342754 /nfs/dbraw/zinc/34/27/54/712342754.db2.gz PNRJXTJHHMMDEX-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000379344416 712375218 /nfs/dbraw/zinc/37/52/18/712375218.db2.gz QHKSRIQVOYHUPW-ZETCQYMHSA-N 1 0 244.136 2.226 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000379387445 712380482 /nfs/dbraw/zinc/38/04/82/712380482.db2.gz HJDIGZNTDUTBGK-UWVGGRQHSA-N 1 0 203.713 2.144 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCC1(C)C ZINC000379797054 712403393 /nfs/dbraw/zinc/40/33/93/712403393.db2.gz IUEWZMRPFDHJDY-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C ZINC000761793572 712410909 /nfs/dbraw/zinc/41/09/09/712410909.db2.gz NXLVIWWGYUDZAH-SECBINFHSA-N 1 0 248.286 2.087 20 30 BEEDRO C=CCCCCCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000390484226 712419011 /nfs/dbraw/zinc/41/90/11/712419011.db2.gz MOYDAIFNMOSQFO-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO N#CC1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000712382685 712428704 /nfs/dbraw/zinc/42/87/04/712428704.db2.gz DSSJAMZBEUTSTN-CYBMUJFWSA-N 1 0 234.343 2.324 20 30 BEEDRO C[C@@H](C#N)CN(C)C[C@@H]1CCC2(CCC2)O1 ZINC000712386081 712428896 /nfs/dbraw/zinc/42/88/96/712428896.db2.gz JIXMZAVTDYHMIM-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000712612754 712438059 /nfs/dbraw/zinc/43/80/59/712438059.db2.gz CEQGUFPBTWNWOS-WFASDCNBSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713116375 712452705 /nfs/dbraw/zinc/45/27/05/712452705.db2.gz DMVXCKNJRRKVBC-MNOVXSKESA-N 1 0 226.364 2.077 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000714444375 712489826 /nfs/dbraw/zinc/48/98/26/712489826.db2.gz VEECSWOKHULMRN-JGZJWPJOSA-N 1 0 236.340 2.134 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000715742388 712531113 /nfs/dbraw/zinc/53/11/13/712531113.db2.gz YMLIPOGECVZELB-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715836402 712534710 /nfs/dbraw/zinc/53/47/10/712534710.db2.gz NNMBJKQBDWWEJF-LLVKDONJSA-N 1 0 224.352 2.436 20 30 BEEDRO N#CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716039457 712547690 /nfs/dbraw/zinc/54/76/90/712547690.db2.gz NYPUVIZGSRVIBT-FGWVZKOKSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1ccns1 ZINC000716059474 712549401 /nfs/dbraw/zinc/54/94/01/712549401.db2.gz ZOLFIMQUOUNRFB-SECBINFHSA-N 1 0 209.318 2.488 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037196119 712552466 /nfs/dbraw/zinc/55/24/66/712552466.db2.gz ZEWIWVSOSTXQAM-RYUDHWBXSA-N 1 0 248.326 2.274 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716394449 712558086 /nfs/dbraw/zinc/55/80/86/712558086.db2.gz NXFXVGXOHRUDIS-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(C#N)cc1 ZINC000716808610 712575705 /nfs/dbraw/zinc/57/57/05/712575705.db2.gz BKKQBWPKBAMLKB-FZMZJTMJSA-N 1 0 232.327 2.197 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(C#N)cc1 ZINC000716808609 712575723 /nfs/dbraw/zinc/57/57/23/712575723.db2.gz BKKQBWPKBAMLKB-BXUZGUMPSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cc1ccsc1 ZINC000716829536 712577344 /nfs/dbraw/zinc/57/73/44/712577344.db2.gz SESGADXKHLUPBS-DGCLKSJQSA-N 1 0 237.368 2.307 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]CC#Cc1ccccc1 ZINC000716909943 712581992 /nfs/dbraw/zinc/58/19/92/712581992.db2.gz QLMIRJYPFMYPDM-DZGCQCFKSA-N 1 0 231.339 2.177 20 30 BEEDRO C=CCCCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000828020388 712593853 /nfs/dbraw/zinc/59/38/53/712593853.db2.gz IMDOMIKKINVMJA-UHFFFAOYSA-N 1 0 234.347 2.340 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H](C)CC(C)C ZINC000716930095 712596837 /nfs/dbraw/zinc/59/68/37/712596837.db2.gz XRQVNJRKYXKQCN-QWHCGFSZSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000716932354 712596883 /nfs/dbraw/zinc/59/68/83/712596883.db2.gz DJNXXYOQPHDKFV-CVEARBPZSA-N 1 0 243.350 2.172 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000716930286 712596959 /nfs/dbraw/zinc/59/69/59/712596959.db2.gz ZQJQCEKRCMWITI-RQJABVFESA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)ccc1C ZINC000716932350 712597072 /nfs/dbraw/zinc/59/70/72/712597072.db2.gz DIRCONIFODLTJZ-HNNXBMFYSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@H](C)CC(C)C ZINC000716930094 712597084 /nfs/dbraw/zinc/59/70/84/712597084.db2.gz XRQVNJRKYXKQCN-OLZOCXBDSA-N 1 0 211.349 2.297 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)CC(C)(C)C#N ZINC000716949560 712598816 /nfs/dbraw/zinc/59/88/16/712598816.db2.gz YKQRUSYUYHZVBB-IJLUTSLNSA-N 1 0 226.364 2.454 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cc1ccccc1F ZINC000716950712 712599021 /nfs/dbraw/zinc/59/90/21/712599021.db2.gz XGKVOOSSZPWFOJ-OCCSQVGLSA-N 1 0 249.329 2.385 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000847026892 712608294 /nfs/dbraw/zinc/60/82/94/712608294.db2.gz QXOKGUZPUHHFQA-GDBMZVCRSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000847026901 712608301 /nfs/dbraw/zinc/60/83/01/712608301.db2.gz QXOKGUZPUHHFQA-ZBFHGGJFSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnn2CC(C)C)C1 ZINC000848923623 712610088 /nfs/dbraw/zinc/61/00/88/712610088.db2.gz HFWPYTFFUOPROU-AWEZNQCLSA-N 1 0 245.370 2.384 20 30 BEEDRO C#CCOCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000851795591 712612427 /nfs/dbraw/zinc/61/24/27/712612427.db2.gz GFORNGZUHZZHSH-LBPRGKRZSA-N 1 0 215.296 2.213 20 30 BEEDRO CCCC(N)=[NH+]OCCc1ccc(C#N)cc1 ZINC000853666957 712613770 /nfs/dbraw/zinc/61/37/70/712613770.db2.gz VOVMJHFTPXPRQD-UHFFFAOYSA-N 1 0 231.299 2.399 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1cccs1 ZINC000379837964 712616455 /nfs/dbraw/zinc/61/64/55/712616455.db2.gz CFMPBUFWVQVNMM-ZJUUUORDSA-N 1 0 224.329 2.327 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000379847264 712616670 /nfs/dbraw/zinc/61/66/70/712616670.db2.gz IFGDOFXSHWDZKG-SDDRHHMPSA-N 1 0 210.321 2.178 20 30 BEEDRO C=C(Cl)CN(CCC)C1CC[NH2+]CC1 ZINC000037469610 712642614 /nfs/dbraw/zinc/64/26/14/712642614.db2.gz PHICQTPEVOQMQP-UHFFFAOYSA-N 1 0 216.756 2.203 20 30 BEEDRO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000717301992 712645728 /nfs/dbraw/zinc/64/57/28/712645728.db2.gz VNERPNZPOXZVNU-NSHDSACASA-N 1 0 248.326 2.446 20 30 BEEDRO COc1ccc(C[NH2+]Cc2ccoc2)cc1C#N ZINC000135161415 712648061 /nfs/dbraw/zinc/64/80/61/712648061.db2.gz RFQCRTSJRAFXGK-UHFFFAOYSA-N 1 0 242.278 2.450 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cccc(O)c2)CC1 ZINC000717422837 712657950 /nfs/dbraw/zinc/65/79/50/712657950.db2.gz GZHAEUYHORFXIL-UHFFFAOYSA-N 1 0 247.338 2.295 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccc(C)o2)CC1 ZINC000717424948 712658339 /nfs/dbraw/zinc/65/83/39/712658339.db2.gz QLJPRCASBNILMC-UHFFFAOYSA-N 1 0 235.327 2.491 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H](C)CC)CC1 ZINC000717493636 712660004 /nfs/dbraw/zinc/66/00/04/712660004.db2.gz GLDWMWNIPCLDTC-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000717698641 712665323 /nfs/dbraw/zinc/66/53/23/712665323.db2.gz IZCOCIAJUSHCCF-GFCCVEGCSA-N 1 0 237.730 2.122 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](CC)C1CCCC1 ZINC000717727230 712667681 /nfs/dbraw/zinc/66/76/81/712667681.db2.gz HYDKEVZNVQCFJR-UONOGXRCSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000717741218 712668475 /nfs/dbraw/zinc/66/84/75/712668475.db2.gz VJXWRQUDATVUFU-HNNXBMFYSA-N 1 0 229.323 2.038 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(F)nc1C ZINC000380021642 712672120 /nfs/dbraw/zinc/67/21/20/712672120.db2.gz WQOMXJJVNAHCQN-UHFFFAOYSA-N 1 0 206.264 2.032 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1coc2ccccc12 ZINC000717759186 712673932 /nfs/dbraw/zinc/67/39/32/712673932.db2.gz GYXIUCUVKYPJOM-CYBMUJFWSA-N 1 0 243.306 2.297 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CC(c2ccccc2)C1 ZINC000717760889 712673944 /nfs/dbraw/zinc/67/39/44/712673944.db2.gz NYCHZTYHSYCHPG-PCKAHOCUSA-N 1 0 243.350 2.297 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccc2ccccc21 ZINC000717777149 712675663 /nfs/dbraw/zinc/67/56/63/712675663.db2.gz RNZJTTQRENVMIG-OAHLLOKOSA-N 1 0 239.318 2.314 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000717788479 712677623 /nfs/dbraw/zinc/67/76/23/712677623.db2.gz SKQGLTJDLDQBIU-CVEARBPZSA-N 1 0 245.366 2.400 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000717840102 712686739 /nfs/dbraw/zinc/68/67/39/712686739.db2.gz DGKIFZRMJMBIHJ-HZSPNIEDSA-N 1 0 223.360 2.175 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@@H](C)O1 ZINC000384845819 712701369 /nfs/dbraw/zinc/70/13/69/712701369.db2.gz DZABYSKKMXAZHD-UMVBOHGHSA-N 1 0 229.323 2.194 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@H](C#N)C2)C1 ZINC000932154075 712715840 /nfs/dbraw/zinc/71/58/40/712715840.db2.gz DMEOKOOJYXQQIA-RBSFLKMASA-N 1 0 249.402 2.200 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cn(C)cn1 ZINC000717900616 712732641 /nfs/dbraw/zinc/73/26/41/712732641.db2.gz WNDOGUOZDFAIAC-UHFFFAOYSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718990143 712792996 /nfs/dbraw/zinc/79/29/96/712792996.db2.gz WBJVJBMZMQSPKA-VXGBXAGGSA-N 1 0 225.332 2.036 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719090973 712796827 /nfs/dbraw/zinc/79/68/27/712796827.db2.gz JGMKJPJFDHXIAQ-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO Cc1cc(C#N)ccc1NC1CC[NH+](C)CC1 ZINC000037996217 712797756 /nfs/dbraw/zinc/79/77/56/712797756.db2.gz FNLODBZNXITQNW-UHFFFAOYSA-N 1 0 229.327 2.373 20 30 BEEDRO Cc1cc(C#N)ccc1N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719573612 712809662 /nfs/dbraw/zinc/80/96/62/712809662.db2.gz XCPBBGJJHYAJOZ-RISCZKNCSA-N 1 0 229.327 2.371 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000720433303 712842536 /nfs/dbraw/zinc/84/25/36/712842536.db2.gz PNXFCICQIHJMIL-GJZGRUSLSA-N 1 0 234.387 2.349 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720801058 712866640 /nfs/dbraw/zinc/86/66/40/712866640.db2.gz UVLCFNVIWAGEBI-GFCCVEGCSA-N 1 0 247.338 2.302 20 30 BEEDRO C#CCCC[NH2+][C@H](CCO)c1cccs1 ZINC000380342037 712889702 /nfs/dbraw/zinc/88/97/02/712889702.db2.gz RYCPDWFSQXMBAN-LLVKDONJSA-N 1 0 223.341 2.175 20 30 BEEDRO C#CCCCC[NH2+]C1CC(OC(C)C)C1 ZINC000380347150 712891556 /nfs/dbraw/zinc/89/15/56/712891556.db2.gz UGQFZFSMMBRNKI-UHFFFAOYSA-N 1 0 209.333 2.336 20 30 BEEDRO C#C[C@@H]([NH2+]CCC1CCOCC1)C(C)C ZINC000380345914 712891775 /nfs/dbraw/zinc/89/17/75/712891775.db2.gz TVYZTDNFFKPWOJ-CYBMUJFWSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC[N@H+](C)CCNC(=O)CC(C)(C)C1CC1 ZINC001480861446 956893024 /nfs/dbraw/zinc/89/30/24/956893024.db2.gz GJXKSCDXRXPRKU-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)CC(C)C)C1CC1 ZINC001266395696 957435792 /nfs/dbraw/zinc/43/57/92/957435792.db2.gz SPXRPVMMGDIYFP-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCCCCC[N@@H+]1CCO[C@@H](CO)C1 ZINC001209438301 957469797 /nfs/dbraw/zinc/46/97/97/957469797.db2.gz IXAWKNYJMKQXGL-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO CCCCCCCC[N@@H+]1CCN[C@@H](COC)C1 ZINC001210028541 957605589 /nfs/dbraw/zinc/60/55/89/957605589.db2.gz LIVGADCEICSONE-CQSZACIVSA-N 1 0 242.407 2.267 20 30 BEEDRO Cc1c(NC2=CC(=O)CC(C)(C)C2)ncn1C ZINC001210149977 957652102 /nfs/dbraw/zinc/65/21/02/957652102.db2.gz ZBPRNBHQFRZYIE-UHFFFAOYSA-N 1 0 233.315 2.413 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)/C=C(/C)CC ZINC001266692621 958260279 /nfs/dbraw/zinc/26/02/79/958260279.db2.gz XNPSOWHENLPKLL-QBFSEMIESA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C=C(CC)CC ZINC001125565618 958786579 /nfs/dbraw/zinc/78/65/79/958786579.db2.gz VIDNLFAUUXZBOW-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)CCC(C)C ZINC001480960392 959848662 /nfs/dbraw/zinc/84/86/62/959848662.db2.gz IVJWQJAKMORUOF-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)C1(C)CCC1 ZINC001480992626 959877430 /nfs/dbraw/zinc/87/74/30/959877430.db2.gz AFGQHYRPCUELHS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)N(C)C ZINC000695776721 960451401 /nfs/dbraw/zinc/45/14/01/960451401.db2.gz FENXLIJBXIFDTG-NSHDSACASA-N 1 0 225.380 2.245 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCn1cccn1 ZINC000695809403 960489417 /nfs/dbraw/zinc/48/94/17/960489417.db2.gz KDSFTLAWCKKLEG-GFCCVEGCSA-N 1 0 234.347 2.191 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CCOC1 ZINC000695777771 960456258 /nfs/dbraw/zinc/45/62/58/960456258.db2.gz ILCRLZWRLFMTFK-YPMHNXCESA-N 1 0 224.348 2.331 20 30 BEEDRO COC1(C[NH2+][C@@H](C)CC(C)(C)C#N)CCC1 ZINC000695813354 960491170 /nfs/dbraw/zinc/49/11/70/960491170.db2.gz STLRCLYXCBKMIV-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)C(CC)CC ZINC001267951457 960549152 /nfs/dbraw/zinc/54/91/52/960549152.db2.gz YWYAUUARUMQPAP-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)NC1CN(CCCC)C1 ZINC001268456833 961834801 /nfs/dbraw/zinc/83/48/01/961834801.db2.gz SHWFRWMZFDQXJP-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1coc(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)c1 ZINC001167923403 961983236 /nfs/dbraw/zinc/98/32/36/961983236.db2.gz CMWXOXNSTXWIRQ-URLYPYJESA-N 1 0 202.257 2.039 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[N@H+](C)CC(=C)C ZINC001268733485 962317722 /nfs/dbraw/zinc/31/77/22/962317722.db2.gz XWEWUPQCYANDQF-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)/C(C)=C\C ZINC001269389995 962644781 /nfs/dbraw/zinc/64/47/81/962644781.db2.gz FDPKNZGXZCEINI-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO COCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000303722400 963075200 /nfs/dbraw/zinc/07/52/00/963075200.db2.gz YCYAGOYMAMTILN-UHFFFAOYSA-N 1 0 235.331 2.067 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](F)CC ZINC001482320417 963082141 /nfs/dbraw/zinc/08/21/41/963082141.db2.gz VAYSMABDMOPYAC-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001482328955 963136930 /nfs/dbraw/zinc/13/69/30/963136930.db2.gz GVFQRJJNYHSYEE-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C1CC=CC1 ZINC001156069290 963245113 /nfs/dbraw/zinc/24/51/13/963245113.db2.gz UZMNLLPURXQBTL-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC(C)(C)C ZINC000909555325 963506025 /nfs/dbraw/zinc/50/60/25/963506025.db2.gz OLDJVDMVCBRCSF-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(N(C)C)nc(C)[nH+]1 ZINC001158737363 963911130 /nfs/dbraw/zinc/91/11/30/963911130.db2.gz SHLKMPJJAURUHT-CYBMUJFWSA-N 1 0 232.331 2.065 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]C[C@H](F)CC ZINC001159032470 963980839 /nfs/dbraw/zinc/98/08/39/963980839.db2.gz HGAFSWHABUYVRK-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC=C(C)C ZINC001159032419 963981203 /nfs/dbraw/zinc/98/12/03/963981203.db2.gz DZDXPRBMBRRIFN-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC(C)C ZINC001482668533 964129881 /nfs/dbraw/zinc/12/98/81/964129881.db2.gz VRVDGYKBLZNOIJ-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO C[NH+](C)C1CCC(NC2(C#N)CCCC2)CC1 ZINC001168298249 964387225 /nfs/dbraw/zinc/38/72/25/964387225.db2.gz HYYOPZLRDQRASB-UHFFFAOYSA-N 1 0 235.375 2.285 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@H](C)CC ZINC001483179495 964799090 /nfs/dbraw/zinc/79/90/90/964799090.db2.gz GDSQSMSUKJVBKH-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)=C1CCC1 ZINC001507074519 964941053 /nfs/dbraw/zinc/94/10/53/964941053.db2.gz FWLJMWQMGQHTOB-LLVKDONJSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001483259037 964948611 /nfs/dbraw/zinc/94/86/11/964948611.db2.gz RCCHRMVRJHAWKR-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)CCC ZINC001483305206 964967254 /nfs/dbraw/zinc/96/72/54/964967254.db2.gz CGYFQWWWRKWGCG-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H](C)C1 ZINC001483495626 965023309 /nfs/dbraw/zinc/02/33/09/965023309.db2.gz FUSLWQRSBFDLFK-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CC1(CCNC(=O)CC)CC1 ZINC001163059974 965244576 /nfs/dbraw/zinc/24/45/76/965244576.db2.gz DNCPDBWVBIMONH-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH2+]CCCF ZINC001164324020 965845950 /nfs/dbraw/zinc/84/59/50/965845950.db2.gz NIKOGQWNUWSODW-GFCCVEGCSA-N 1 0 244.354 2.044 20 30 BEEDRO CCc1cc(C[NH+]2CCC(CC#N)CC2)on1 ZINC001203225311 965907772 /nfs/dbraw/zinc/90/77/72/965907772.db2.gz OFDQOCNGJKVIAN-UHFFFAOYSA-N 1 0 233.315 2.363 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)CC ZINC001483920576 966401430 /nfs/dbraw/zinc/40/14/30/966401430.db2.gz SCNPGFPTFIFADF-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)C=C ZINC001484752592 966511262 /nfs/dbraw/zinc/51/12/62/966511262.db2.gz AVDSZSONIMEXCB-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)CC(C)C ZINC001485284855 966571690 /nfs/dbraw/zinc/57/16/90/966571690.db2.gz UDTVFKZYJCYMET-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCC(C)C)[C@H]1C ZINC001717787345 1165770023 /nfs/dbraw/zinc/77/00/23/1165770023.db2.gz FDQMNNOKGDFQPN-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001485716662 966628304 /nfs/dbraw/zinc/62/83/04/966628304.db2.gz ASKVXDGTFKQZBS-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CC1CCC1 ZINC001128245583 967441318 /nfs/dbraw/zinc/44/13/18/967441318.db2.gz BJUVOPIWRSMVPY-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC(C)(C)C=C ZINC001128252473 967444916 /nfs/dbraw/zinc/44/49/16/967444916.db2.gz KNKCUQHVPTZVQG-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC#N)CS1 ZINC000336689012 1165866630 /nfs/dbraw/zinc/86/66/30/1165866630.db2.gz OBMKDPDZVQTHKE-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001266517785 1165866803 /nfs/dbraw/zinc/86/68/03/1165866803.db2.gz NEEOSZYFFMGCSG-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CCOCC1 ZINC001653238170 1165890040 /nfs/dbraw/zinc/89/00/40/1165890040.db2.gz GWIZAGBIUHCSLR-ZIAGYGMSSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccco1 ZINC001670601383 1165969490 /nfs/dbraw/zinc/96/94/90/1165969490.db2.gz QBZGLQNTHZTHSU-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C[NH+](C)CCCNc1ccc(F)cc1C#N ZINC000071522902 1165969759 /nfs/dbraw/zinc/96/97/59/1165969759.db2.gz STIGPMZMJBNUEE-UHFFFAOYSA-N 1 0 221.279 2.061 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001206687397 968434928 /nfs/dbraw/zinc/43/49/28/968434928.db2.gz WQPVDPSZNUPYBU-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H]1CCCC[C@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001659082265 1165996939 /nfs/dbraw/zinc/99/69/39/1165996939.db2.gz USEIKZOYXSNYSQ-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC#CCC[NH2+]Cc1csc(C#N)c1 ZINC001659288071 1165997760 /nfs/dbraw/zinc/99/77/60/1165997760.db2.gz ABPKWLFBPFBRLV-UHFFFAOYSA-N 1 0 204.298 2.123 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](C(=O)OCC)C1 ZINC000167486683 1166018433 /nfs/dbraw/zinc/01/84/33/1166018433.db2.gz GXQKNLXZBFUSRC-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO CC[C@@H](CC#N)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062979874 1166023395 /nfs/dbraw/zinc/02/33/95/1166023395.db2.gz KBELVCFZBRDLET-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H](C)O ZINC001252120051 968604664 /nfs/dbraw/zinc/60/46/64/968604664.db2.gz MHOVTAAOFSNYQE-QWHCGFSZSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCC[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001252120145 968604867 /nfs/dbraw/zinc/60/48/67/968604867.db2.gz ODQKPCKQHVFCJW-NSHDSACASA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498174 1166083217 /nfs/dbraw/zinc/08/32/17/1166083217.db2.gz FDTBUFFXQSPWDF-IUODEOHRSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@H]1CCC ZINC001252465431 968722851 /nfs/dbraw/zinc/72/28/51/968722851.db2.gz GVLURVHMYKBHGH-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C[C@@H](CC)CCCC ZINC001252486658 968741614 /nfs/dbraw/zinc/74/16/14/968741614.db2.gz GDKNFCBBVVMONO-UONOGXRCSA-N 1 0 243.391 2.356 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]CCC1=CCCCC1 ZINC001252488827 968747829 /nfs/dbraw/zinc/74/78/29/968747829.db2.gz UIHMWNMEEYDDQP-AWEZNQCLSA-N 1 0 239.359 2.030 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]CC1CCCCCC1 ZINC001252493294 968750789 /nfs/dbraw/zinc/75/07/89/968750789.db2.gz PCYPHFBFHCEHAM-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000390508413 1166110817 /nfs/dbraw/zinc/11/08/17/1166110817.db2.gz YHOOCOVZCKBCAL-JTQLQIEISA-N 1 0 227.254 2.255 20 30 BEEDRO C=C[C@@](C)(O)CNc1cc[nH+]c(C2CC2)c1 ZINC001252546597 968784128 /nfs/dbraw/zinc/78/41/28/968784128.db2.gz AOBXCFDBJXURMG-CYBMUJFWSA-N 1 0 218.300 2.308 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC2(CC(F)C2)CC1 ZINC001252550250 968793104 /nfs/dbraw/zinc/79/31/04/968793104.db2.gz MKTXLYMIQSJGCX-LBPRGKRZSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccc(F)cc1F ZINC001252558027 968803780 /nfs/dbraw/zinc/80/37/80/968803780.db2.gz LOCUUUZCDKGTMG-CYBMUJFWSA-N 1 0 241.281 2.334 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCOC1 ZINC000829179982 968820122 /nfs/dbraw/zinc/82/01/22/968820122.db2.gz QPABKMLYRUPXQN-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(Cl)ccn1 ZINC001252589237 968845534 /nfs/dbraw/zinc/84/55/34/968845534.db2.gz LPRHEVOASVDROE-GFCCVEGCSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccccc1OC ZINC001252587942 968842263 /nfs/dbraw/zinc/84/22/63/968842263.db2.gz YPGYQVPVXBQCST-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CCC[C@@H](O)CNc1cc(OC)c(C)c[nH+]1 ZINC001252593217 968850795 /nfs/dbraw/zinc/85/07/95/968850795.db2.gz DHYJSRWKEXTYTH-LLVKDONJSA-N 1 0 236.315 2.138 20 30 BEEDRO C=CCC[C@@H](O)CNc1[nH+]c(C)ccc1C ZINC001252591155 968849095 /nfs/dbraw/zinc/84/90/95/968849095.db2.gz LBRFFSFVJPFXKL-GFCCVEGCSA-N 1 0 220.316 2.437 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CC2CCC(CC2)C1 ZINC001252602435 968858847 /nfs/dbraw/zinc/85/88/47/968858847.db2.gz SASDXEBCOUPEHO-JXQTWKCFSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001252595599 968853725 /nfs/dbraw/zinc/85/37/25/968853725.db2.gz JFLZNXWGJVTKQU-WOPDTQHZSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCOCCCC ZINC001252616214 968875108 /nfs/dbraw/zinc/87/51/08/968875108.db2.gz LTMTZDFMNQYSIV-ZDUSSCGKSA-N 1 0 229.364 2.110 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccccn1 ZINC001252617281 968877476 /nfs/dbraw/zinc/87/74/76/968877476.db2.gz BTGORYXHLYZDJR-OLZOCXBDSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)/C=C(/C)CC ZINC001691179541 1166155384 /nfs/dbraw/zinc/15/53/84/1166155384.db2.gz NRTMJQTZKWOHCM-SEYXRHQNSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC[NH2+]CCN1CCCC[C@H]1CCC ZINC000213432404 1166163129 /nfs/dbraw/zinc/16/31/29/1166163129.db2.gz ZJIQKTBRSRUUJJ-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)/C=C(/C)CC ZINC001691312697 1166195019 /nfs/dbraw/zinc/19/50/19/1166195019.db2.gz SLFKDMJGODFBQN-SEYXRHQNSA-N 1 0 238.375 2.357 20 30 BEEDRO CCCCCCC/C=C/C[NH+]1CC(C(N)=O)C1 ZINC001208119084 969015761 /nfs/dbraw/zinc/01/57/61/969015761.db2.gz WEPNFGDRJAECOU-CMDGGOBGSA-N 1 0 238.375 2.320 20 30 BEEDRO CC[N@H+](CCC#N)CC[C@H](C)SC ZINC001208140899 969058160 /nfs/dbraw/zinc/05/81/60/969058160.db2.gz IEYJLRRGFNWGGG-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)CC1CC1 ZINC001754298493 1166223148 /nfs/dbraw/zinc/22/31/48/1166223148.db2.gz HLICEYMGEKQTPE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C(C)(C)CO ZINC001253228015 969115074 /nfs/dbraw/zinc/11/50/74/969115074.db2.gz ORKHMNRAJVDDEJ-CYBMUJFWSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H](O)CC ZINC001253247387 969115133 /nfs/dbraw/zinc/11/51/33/969115133.db2.gz ISYBTXCPEFNZNV-UONOGXRCSA-N 1 0 243.391 2.234 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C=C(CC)CC ZINC001125571118 1166247217 /nfs/dbraw/zinc/24/72/17/1166247217.db2.gz DXMUNCRKHIJDAH-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1ccccc1F ZINC001253584605 969259446 /nfs/dbraw/zinc/25/94/46/969259446.db2.gz OEDXRVSSSBMLDC-LBPRGKRZSA-N 1 0 223.291 2.195 20 30 BEEDRO N#CCc1c(F)cccc1-n1cccc1C[NH3+] ZINC001167595652 1166297372 /nfs/dbraw/zinc/29/73/72/1166297372.db2.gz JETFRVDSKZQWNN-UHFFFAOYSA-N 1 0 229.258 2.141 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(OCCC)c1 ZINC001253600496 969294549 /nfs/dbraw/zinc/29/45/49/969294549.db2.gz BHIUFQBYPREEBI-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC001253601772 969295453 /nfs/dbraw/zinc/29/54/53/969295453.db2.gz VYYUOVJWYWTSJD-LBPRGKRZSA-N 1 0 225.719 2.019 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(C2CC2)c1 ZINC001253605985 969302210 /nfs/dbraw/zinc/30/22/10/969302210.db2.gz BUWSRXGTGAPVRY-CQSZACIVSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001253605173 969302775 /nfs/dbraw/zinc/30/27/75/969302775.db2.gz OZZXUDGWJDMELD-MFKMUULPSA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC001253606661 969305039 /nfs/dbraw/zinc/30/50/39/969305039.db2.gz MFEUEPKVLRPSOH-BXUZGUMPSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1CCC(CCC)CC1 ZINC001253609648 969310299 /nfs/dbraw/zinc/31/02/99/969310299.db2.gz WVRCOFAHTKQEBO-BPCQOVAHSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(CC[N@H+](C)CC(C)C)C(=O)OCC ZINC001209015063 969318017 /nfs/dbraw/zinc/31/80/17/969318017.db2.gz IQADGQWGOFNNGN-UHFFFAOYSA-N 1 0 242.363 2.219 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299900589 1166330318 /nfs/dbraw/zinc/33/03/18/1166330318.db2.gz XLEQQBCIWWTEPB-IAQYHMDHSA-N 1 0 244.338 2.069 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036661 969355192 /nfs/dbraw/zinc/35/51/92/969355192.db2.gz PNVRXDPKZDYMAY-NEPJUHHUSA-N 1 0 239.319 2.057 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@](O)(CF)C1 ZINC001209156912 969355579 /nfs/dbraw/zinc/35/55/79/969355579.db2.gz KCUWCGVPXPLQQO-GFCCVEGCSA-N 1 0 215.312 2.139 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001253741667 969362371 /nfs/dbraw/zinc/36/23/71/969362371.db2.gz DNNMGKWVYWYHQC-SRVKXCTJSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]C1(CC#N)CCCC1 ZINC001253748211 969363551 /nfs/dbraw/zinc/36/35/51/969363551.db2.gz CMRSWEHZUYRBFW-LLVKDONJSA-N 1 0 224.348 2.209 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169100298 969394380 /nfs/dbraw/zinc/39/43/80/969394380.db2.gz IJUIDNXEMQDRHC-YIYPIFLZSA-N 1 0 220.360 2.003 20 30 BEEDRO C[C@H]1C[C@@H](NCC#Cc2ccccc2)CC[N@@H+]1C ZINC000158157352 1166399021 /nfs/dbraw/zinc/39/90/21/1166399021.db2.gz ZENWZDLNFUEHRW-HOCLYGCPSA-N 1 0 242.366 2.110 20 30 BEEDRO C=CCN(c1cccc(N)[nH+]1)C(C)(C)C ZINC000168384711 1166401759 /nfs/dbraw/zinc/40/17/59/1166401759.db2.gz NMOVKSHSKWTCAC-UHFFFAOYSA-N 1 0 205.305 2.455 20 30 BEEDRO CC#CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000158457496 1166406976 /nfs/dbraw/zinc/40/69/76/1166406976.db2.gz REOWXHGCEWIOET-UHFFFAOYSA-N 1 0 232.283 2.406 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](F)C[C@H](CO)C1 ZINC001209423194 969493662 /nfs/dbraw/zinc/49/36/62/969493662.db2.gz JCVJTAFUTCSWJV-STQMWFEESA-N 1 0 229.339 2.385 20 30 BEEDRO C=CCCCCCC[N@H+]1CCOC[C@@H]1COC ZINC001209440574 969514621 /nfs/dbraw/zinc/51/46/21/969514621.db2.gz LZNWACRDMHCSKD-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO SC1CC[NH+](Cc2cncs2)CC1 ZINC001209550154 969537104 /nfs/dbraw/zinc/53/71/04/969537104.db2.gz NUBMOJFXGANPCN-UHFFFAOYSA-N 1 0 214.359 2.037 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)CC ZINC001671270948 1166477901 /nfs/dbraw/zinc/47/79/01/1166477901.db2.gz SIEKPYJUIRXJDO-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCN1C(C)=O ZINC001752130400 1166507562 /nfs/dbraw/zinc/50/75/62/1166507562.db2.gz GGBHHFARDSCPNJ-ZYHUDNBSSA-N 1 0 244.766 2.118 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001254641961 969755813 /nfs/dbraw/zinc/75/58/13/969755813.db2.gz DKUNDVKQFCHEJX-ZOLYEBIHSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCC[C@]1(C)O ZINC001254660136 969771113 /nfs/dbraw/zinc/77/11/13/969771113.db2.gz GFZOQSHOTJVTCA-SYQHCUMBSA-N 1 0 236.359 2.162 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000393742378 1166515634 /nfs/dbraw/zinc/51/56/34/1166515634.db2.gz IJPBMKZDROKGHA-ZDUSSCGKSA-N 1 0 217.312 2.295 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H]2CCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001075513555 1166532286 /nfs/dbraw/zinc/53/22/86/1166532286.db2.gz BVZPXLJDRQYCIP-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C[C@@H]1CC(C[NH+]2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000724867449 1166536707 /nfs/dbraw/zinc/53/67/07/1166536707.db2.gz JSVWFIVXQZHHMP-VXGBXAGGSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[N@H+](CCC#N)CC1C[C@@H](C)O[C@H](C)C1 ZINC000724861637 1166536732 /nfs/dbraw/zinc/53/67/32/1166536732.db2.gz CTARBPVOVSBVOQ-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001255165565 969975256 /nfs/dbraw/zinc/97/52/56/969975256.db2.gz YMMCBULIWVLAQI-MCIONIFRSA-N 1 0 237.391 2.387 20 30 BEEDRO COC1CCC([NH2+]Cc2cc(C#N)co2)CC1 ZINC001255454711 970184583 /nfs/dbraw/zinc/18/45/83/970184583.db2.gz VZDIHCWWWSQHTD-UHFFFAOYSA-N 1 0 234.299 2.198 20 30 BEEDRO COc1cc(C[NH2+]CCCC#N)ccc1F ZINC000309915076 1166664483 /nfs/dbraw/zinc/66/44/83/1166664483.db2.gz OVCKGKZQKOIIEM-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO C=CC[NH2+]Cc1nccn1-c1ccccc1 ZINC000390192921 1166680564 /nfs/dbraw/zinc/68/05/64/1166680564.db2.gz OEYQOPKLLBLIGC-UHFFFAOYSA-N 1 0 213.284 2.148 20 30 BEEDRO CC(C)OCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787445 1166684271 /nfs/dbraw/zinc/68/42/71/1166684271.db2.gz NIZURNUYEYOCEW-LLVKDONJSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000695811638 1166689321 /nfs/dbraw/zinc/68/93/21/1166689321.db2.gz JZJVSYSHGPWDTM-GMTAPVOTSA-N 1 0 224.348 2.064 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)nc1 ZINC001255645081 970422390 /nfs/dbraw/zinc/42/23/90/970422390.db2.gz ZYWDGOFYSONDOO-MRVPVSSYSA-N 1 0 243.232 2.384 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CCC(C#N)CC1 ZINC001255955483 970584040 /nfs/dbraw/zinc/58/40/40/970584040.db2.gz UTUROUVODJTQTP-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)C1CC=CC1 ZINC001715634616 1166819631 /nfs/dbraw/zinc/81/96/31/1166819631.db2.gz YAAQAEPEBHDGHB-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CCC[C@H]1C#N ZINC001255954839 970589646 /nfs/dbraw/zinc/58/96/46/970589646.db2.gz IXXQPGKFAWRHHG-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C1CC1 ZINC001753708470 1166910466 /nfs/dbraw/zinc/91/04/66/1166910466.db2.gz GVTJJVRIJFLASJ-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)=C1CCC1 ZINC001716396375 1166928879 /nfs/dbraw/zinc/92/88/79/1166928879.db2.gz QLDABKKFRMEZOS-LLVKDONJSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[NH2+]C[C@@H](F)CC ZINC001752876892 1166947247 /nfs/dbraw/zinc/94/72/47/1166947247.db2.gz IPDZFZQRLVLHDJ-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCc2ncsc2C1 ZINC001173138483 975043266 /nfs/dbraw/zinc/04/32/66/975043266.db2.gz RBHYVHJJGIUPHF-SECBINFHSA-N 1 0 208.330 2.118 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC001173261785 975112329 /nfs/dbraw/zinc/11/23/29/975112329.db2.gz CZQKWLLHRBIQPC-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001269908483 1167024036 /nfs/dbraw/zinc/02/40/36/1167024036.db2.gz ZSNDZJLSZJDMEJ-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CCSC[C@@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001173302122 975201512 /nfs/dbraw/zinc/20/15/12/975201512.db2.gz OTDLUYFKNPHVRS-SECBINFHSA-N 1 0 224.329 2.382 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H](CO)C(C)C)CC1 ZINC001173309320 975220754 /nfs/dbraw/zinc/22/07/54/975220754.db2.gz VJVQWCPZLKGKMT-JXQTWKCFSA-N 1 0 241.375 2.107 20 30 BEEDRO CC(C)[C@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173323918 975270751 /nfs/dbraw/zinc/27/07/51/975270751.db2.gz DDTKUWHKGNFGDG-BPCQOVAHSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173329376 975278681 /nfs/dbraw/zinc/27/86/81/975278681.db2.gz GURUJJWOMVPSKJ-BPCQOVAHSA-N 1 0 238.375 2.455 20 30 BEEDRO CCN1CC[C@@H]([NH2+]CCCCCCS)C1 ZINC001173358248 975320059 /nfs/dbraw/zinc/32/00/59/975320059.db2.gz OXWSDHZDXKMPSH-GFCCVEGCSA-N 1 0 230.421 2.160 20 30 BEEDRO C=C(C)CC[N@@H+](C)C1CCN(C(=O)CC)CC1 ZINC001755525979 1167151622 /nfs/dbraw/zinc/15/16/22/1167151622.db2.gz XEZJRLJVAOCSRE-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CCOCC[N@@H+](C)CC[C@@H]1CCCC1(F)F ZINC001333029140 975379546 /nfs/dbraw/zinc/37/95/46/975379546.db2.gz YWSLHWAYQWNKGR-LBPRGKRZSA-N 1 0 245.313 2.394 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CCC(=C)C ZINC001270974842 1167166554 /nfs/dbraw/zinc/16/65/54/1167166554.db2.gz BURPFPSTRPZMAL-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173451684 975388538 /nfs/dbraw/zinc/38/85/38/975388538.db2.gz GENRJBWGPBTJFY-GXTWGEPZSA-N 1 0 239.359 2.500 20 30 BEEDRO CC1(C#N)CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001173591270 975437935 /nfs/dbraw/zinc/43/79/35/975437935.db2.gz OBKSBMYHRNFGKV-UHFFFAOYSA-N 1 0 217.316 2.351 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173624667 975489297 /nfs/dbraw/zinc/48/92/97/975489297.db2.gz CFKKDGXOGZTFTG-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccc(N)n1 ZINC000308839213 1167205108 /nfs/dbraw/zinc/20/51/08/1167205108.db2.gz MQZHITMMOWOMMV-UHFFFAOYSA-N 1 0 205.305 2.062 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOCCCO ZINC001333323952 975660826 /nfs/dbraw/zinc/66/08/26/975660826.db2.gz YPHMWRSXZFMWFI-UONOGXRCSA-N 1 0 241.375 2.110 20 30 BEEDRO C#CC1([NH2+]Cc2cnc(Cl)n2C)CCCC1 ZINC000883361367 1167282281 /nfs/dbraw/zinc/28/22/81/1167282281.db2.gz AWFCTEQCNYDVJJ-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C/C=C\c1ccccc1 ZINC000309421584 1167303770 /nfs/dbraw/zinc/30/37/70/1167303770.db2.gz DQSQLRBNGYMTFS-YHAOYDPOSA-N 1 0 217.312 2.490 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC000309422738 1167304111 /nfs/dbraw/zinc/30/41/11/1167304111.db2.gz AGQARPSGJGDSBA-JSGCOSHPSA-N 1 0 219.328 2.063 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000309448446 1167307688 /nfs/dbraw/zinc/30/76/88/1167307688.db2.gz LXYNPTSQLXWZIT-WOPDTQHZSA-N 1 0 224.348 2.472 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[NH+]1CCCC1 ZINC001334108450 976307987 /nfs/dbraw/zinc/30/79/87/976307987.db2.gz LCDGXMWEKGACIJ-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C(=O)CC1(C)C ZINC001334749291 976619581 /nfs/dbraw/zinc/61/95/81/976619581.db2.gz WGHKVEVPOMJGGD-UHFFFAOYSA-N 1 0 224.348 2.243 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001335740829 977255028 /nfs/dbraw/zinc/25/50/28/977255028.db2.gz DFZAJFCHQYARMJ-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@H](C(=O)OCC)C1 ZINC000225399453 1167443572 /nfs/dbraw/zinc/44/35/72/1167443572.db2.gz PKDDFWXVRCXRNR-STQMWFEESA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230812682 977334535 /nfs/dbraw/zinc/33/45/35/977334535.db2.gz YJUCUZMJZGIKAT-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795458 977335386 /nfs/dbraw/zinc/33/53/86/977335386.db2.gz MWHFISSADNIYOT-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC1([NH2+]CCC)CC1 ZINC001670843051 1167456953 /nfs/dbraw/zinc/45/69/53/1167456953.db2.gz QMYBIMHXFYYIRD-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)CC ZINC001230970026 977411257 /nfs/dbraw/zinc/41/12/57/977411257.db2.gz WWRLEXWAALUKNF-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)/C(C)=C\C)C1 ZINC001691577326 1167516060 /nfs/dbraw/zinc/51/60/60/1167516060.db2.gz KJJKSHZSEGDFNF-DBUDNELGSA-N 1 0 236.359 2.013 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2csc(C#N)c2)C1 ZINC001175577807 977585357 /nfs/dbraw/zinc/58/53/57/977585357.db2.gz VSJZKZUIKZOSGZ-UHFFFAOYSA-N 1 0 219.313 2.251 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)/C(C)=C/CC ZINC001752863370 1167575265 /nfs/dbraw/zinc/57/52/65/1167575265.db2.gz XMNGDTMCAXLOJF-SRXBQZRASA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)C1(C)CC1 ZINC001483466985 1167617612 /nfs/dbraw/zinc/61/76/12/1167617612.db2.gz KWAXDOVBZMEZSX-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000912447630 1167623547 /nfs/dbraw/zinc/62/35/47/1167623547.db2.gz HQZPXGHJVDCBHI-AWEZNQCLSA-N 1 0 244.338 2.078 20 30 BEEDRO C[N@@H+](Cc1cc(C#N)ccn1)C[C@@H]1CC1(C)C ZINC001232478192 978127470 /nfs/dbraw/zinc/12/74/70/978127470.db2.gz HSNGVHFOAMAZLO-LBPRGKRZSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC)CC(C)(C)C1 ZINC001089283286 1167728700 /nfs/dbraw/zinc/72/87/00/1167728700.db2.gz JXPGJJWBCAAUGE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234424482 1167762765 /nfs/dbraw/zinc/76/27/65/1167762765.db2.gz QUHMEUQTFHHORO-LBPRGKRZSA-N 1 0 229.323 2.465 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000699438518 1167772072 /nfs/dbraw/zinc/77/20/72/1167772072.db2.gz NGXRTIFBQJMGBF-KGLIPLIRSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)C(C)(F)F ZINC001177746306 978427403 /nfs/dbraw/zinc/42/74/03/978427403.db2.gz AIUNHRRQJVUSPE-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO CC[N@H+](CCC#N)[C@H]1CCC[C@H](OC)C1 ZINC000070329025 978837928 /nfs/dbraw/zinc/83/79/28/978837928.db2.gz HSBRHOBXVAPMRX-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C(C)C ZINC001277953994 979096799 /nfs/dbraw/zinc/09/67/99/979096799.db2.gz JXCGQMQECUZJLN-QWHCGFSZSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(C)CCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC001340772792 979104739 /nfs/dbraw/zinc/10/47/39/979104739.db2.gz XPMVYUJGWCHYAT-UPJWGTAASA-N 1 0 238.375 2.282 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001340966234 979179747 /nfs/dbraw/zinc/17/97/47/979179747.db2.gz HJXHYEADLAIQTF-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)/C=C/Cl ZINC001341018644 979195757 /nfs/dbraw/zinc/19/57/57/979195757.db2.gz JHOMNAAWNDENOM-DDXVTDLHSA-N 1 0 244.766 2.317 20 30 BEEDRO N#CCCN(CC[NH3+])Cc1ccc(Cl)cc1 ZINC001235961601 979231130 /nfs/dbraw/zinc/23/11/30/979231130.db2.gz CRJVOMCGGSWNQU-UHFFFAOYSA-N 1 0 237.734 2.014 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CCC)C[C@@H]1C ZINC001484972813 1168239962 /nfs/dbraw/zinc/23/99/62/1168239962.db2.gz YLAXGFMURMJEBH-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)CC ZINC001341492682 979434773 /nfs/dbraw/zinc/43/47/73/979434773.db2.gz HRVOODDRWXIHPC-TUAOUCFPSA-N 1 0 226.364 2.221 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cncc(C)c1 ZINC001341600332 979484030 /nfs/dbraw/zinc/48/40/30/979484030.db2.gz PKTZFODXTSRJKY-LBPRGKRZSA-N 1 0 233.315 2.012 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001341690178 979526569 /nfs/dbraw/zinc/52/65/69/979526569.db2.gz UZZLZQMOVBIECN-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C=C1CCC1 ZINC001671286296 1168323098 /nfs/dbraw/zinc/32/30/98/1168323098.db2.gz PIIXHURKKGPUAU-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]1C[NH2+]CC(=C)C ZINC001671275662 1168335037 /nfs/dbraw/zinc/33/50/37/1168335037.db2.gz MTNAPVQAUIPESP-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CCCC[NH2+]C ZINC001342457028 979805698 /nfs/dbraw/zinc/80/56/98/979805698.db2.gz YGYKMYRDILNECN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCCCCN1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237101517 979814309 /nfs/dbraw/zinc/81/43/09/979814309.db2.gz GVQRTJKUDRMWDU-UONOGXRCSA-N 1 0 240.391 2.171 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OCC)c(F)c1 ZINC001237957109 980117988 /nfs/dbraw/zinc/11/79/88/980117988.db2.gz UJWIFYPARMBSCM-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000164526440 1168428983 /nfs/dbraw/zinc/42/89/83/1168428983.db2.gz ZLQWOAVEAKLHFJ-OCCSQVGLSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC)[C@@H]1C ZINC001278213680 980232511 /nfs/dbraw/zinc/23/25/11/980232511.db2.gz OZCPRFFVOLGJSF-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@@H](CC)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001344595586 980442851 /nfs/dbraw/zinc/44/28/51/980442851.db2.gz YGTJXQCYLUUCOJ-RYUDHWBXSA-N 1 0 225.332 2.367 20 30 BEEDRO CCCCCCCOC(=O)N(C)CCC[NH3+] ZINC001239332276 980535769 /nfs/dbraw/zinc/53/57/69/980535769.db2.gz SKBSBLSMAGWSQA-UHFFFAOYSA-N 1 0 230.352 2.374 20 30 BEEDRO CCCCCCCOC(=O)N[C@@H]1CC12C[NH2+]C2 ZINC001239325505 980533730 /nfs/dbraw/zinc/53/37/30/980533730.db2.gz BEQYQEVQTZEEDP-LLVKDONJSA-N 1 0 240.347 2.045 20 30 BEEDRO CCCCCCCNC(=S)N[C@H](CC)C[NH3+] ZINC001239381409 980555738 /nfs/dbraw/zinc/55/57/38/980555738.db2.gz WIPNFYJYXLAUTG-LLVKDONJSA-N 1 0 245.436 2.158 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C(C)(C)C=C)C2 ZINC001109601517 1168508058 /nfs/dbraw/zinc/50/80/58/1168508058.db2.gz CDYGNCWKMTZSAV-AGIUHOORSA-N 1 0 248.370 2.106 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001188925375 980717174 /nfs/dbraw/zinc/71/71/74/980717174.db2.gz MHIDGZNONZJYJM-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2ccccc2nc1OC ZINC000809683436 1168555807 /nfs/dbraw/zinc/55/58/07/1168555807.db2.gz DCFLYGPBXGYFAX-LLVKDONJSA-N 1 0 240.306 2.355 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CC=C(C)C ZINC001133381152 1168571205 /nfs/dbraw/zinc/57/12/05/1168571205.db2.gz XLRKMFDNLWVNIY-CQSZACIVSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(CC)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC001347005506 980944894 /nfs/dbraw/zinc/94/48/94/980944894.db2.gz HSLLCAYGGWRILX-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1F ZINC001171184369 1168651505 /nfs/dbraw/zinc/65/15/05/1168651505.db2.gz MAUXCEPQMREGSO-ZWKOPEQDSA-N 1 0 218.275 2.189 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171184601 1168651516 /nfs/dbraw/zinc/65/15/16/1168651516.db2.gz NLEGVKVTJVUBKR-KCPJHIHWSA-N 1 0 244.338 2.256 20 30 BEEDRO N#CCc1cccc(NC[C@@H]2CCCC[NH2+]2)c1F ZINC001171335582 1168664104 /nfs/dbraw/zinc/66/41/04/1168664104.db2.gz YSMMNNAGOYFMMP-LBPRGKRZSA-N 1 0 247.317 2.446 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C1CCC(CC#N)CC1 ZINC001173333393 1168687408 /nfs/dbraw/zinc/68/74/08/1168687408.db2.gz HTRFVYKOIQWFCX-UNXYVOJBSA-N 1 0 205.305 2.351 20 30 BEEDRO CN(C)[C@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173334944 1168687564 /nfs/dbraw/zinc/68/75/64/1168687564.db2.gz AXWUSJOLXWJGEQ-NRXISQOPSA-N 1 0 249.402 2.485 20 30 BEEDRO CC(C)(O)[C@H](F)C[NH2+]C1CCC(CC#N)CC1 ZINC001173334360 1168687837 /nfs/dbraw/zinc/68/78/37/1168687837.db2.gz VUXCDAZKQABKEH-HTAVTVPLSA-N 1 0 242.338 2.157 20 30 BEEDRO C[N@H+](CC1COC1)C1CCC(CC#N)CC1 ZINC001173337272 1168688917 /nfs/dbraw/zinc/68/89/17/1168688917.db2.gz DVFPMAYNJYLNLG-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CCC1CCC([N@H+](C2CC2)C2COC2)CC1 ZINC001173337863 1168689852 /nfs/dbraw/zinc/68/98/52/1168689852.db2.gz UTCHLMHQXSNXHM-UHFFFAOYSA-N 1 0 234.343 2.322 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@H](C)C1CC1 ZINC001177047424 1168707835 /nfs/dbraw/zinc/70/78/35/1168707835.db2.gz PHEPESMVJAZJKL-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[N@H+](CCC#N)C1C[C@@H](C)O[C@H](C)C1 ZINC000339009156 1168712892 /nfs/dbraw/zinc/71/28/92/1168712892.db2.gz AKJQTTKTDNDURK-GHMZBOCLSA-N 1 0 210.321 2.178 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882759 1168820763 /nfs/dbraw/zinc/82/07/63/1168820763.db2.gz UONVJSDIYCCFNF-NSHDSACASA-N 1 0 246.310 2.223 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198685554 1168826475 /nfs/dbraw/zinc/82/64/75/1168826475.db2.gz MOZGOIZVIIIQDL-CHWSQXEVSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001691706103 1168838789 /nfs/dbraw/zinc/83/87/89/1168838789.db2.gz LLDOHKBVJNFGKS-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCN1C(=O)CCC12CC[NH+](CC1CC1)CC2 ZINC001201918837 1168844744 /nfs/dbraw/zinc/84/47/44/1168844744.db2.gz WAADGLSSTNYUMO-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)/C(C)=C/C)C1 ZINC001100232947 982712633 /nfs/dbraw/zinc/71/26/33/982712633.db2.gz VFKBTAGUMPDYAW-VZUCSPMQSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)cc1C ZINC001252572914 1168888106 /nfs/dbraw/zinc/88/81/06/1168888106.db2.gz WCYOOXLUHXUZDR-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2cc(F)ccc2C1 ZINC001252584575 1168891143 /nfs/dbraw/zinc/89/11/43/1168891143.db2.gz BVCRNBMNLYGYNH-HUUCEWRRSA-N 1 0 249.329 2.210 20 30 BEEDRO C#CCC[N@@H+]1CCCC[C@@]12CCCOC2 ZINC001198828185 982838134 /nfs/dbraw/zinc/83/81/34/982838134.db2.gz KFUNRMQITNLHLQ-ZDUSSCGKSA-N 1 0 207.317 2.045 20 30 BEEDRO CC1(C)C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001137114324 1168923110 /nfs/dbraw/zinc/92/31/10/1168923110.db2.gz HFWBRUMAVQQIGE-UHFFFAOYSA-N 1 0 230.311 2.431 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001480516405 982884909 /nfs/dbraw/zinc/88/49/09/982884909.db2.gz QZMWCWSUIRMUHX-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H](C)C1 ZINC001353833794 983019700 /nfs/dbraw/zinc/01/97/00/983019700.db2.gz UAYHEADSAVXMOH-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC000886363017 1168981273 /nfs/dbraw/zinc/98/12/73/1168981273.db2.gz XLIYRYQNPATCLB-GFCCVEGCSA-N 1 0 234.368 2.339 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1ccc(SC)cc1 ZINC000717848002 1169033437 /nfs/dbraw/zinc/03/34/37/1169033437.db2.gz IPPWFTKSDSDRMR-CYBMUJFWSA-N 1 0 249.379 2.272 20 30 BEEDRO C=CCN1CC[NH+](CC(CC)CC)CC1 ZINC001201528110 983324002 /nfs/dbraw/zinc/32/40/02/983324002.db2.gz JYXVFWQTQIZYES-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCCOC)o1 ZINC001355311147 983465546 /nfs/dbraw/zinc/46/55/46/983465546.db2.gz BLXRWGKEYBNZIZ-UHFFFAOYSA-N 1 0 239.315 2.313 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@](C)(CO)[C@@H](O)C1 ZINC001201761337 983466512 /nfs/dbraw/zinc/46/65/12/983466512.db2.gz ASELRVSKPJGDDM-UONOGXRCSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCCN1CCOC[C@@H]1C[NH+](C)C ZINC001201798014 983475158 /nfs/dbraw/zinc/47/51/58/983475158.db2.gz LFBFZLSXYGEQJM-AWEZNQCLSA-N 1 0 242.407 2.219 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC001357259939 983681250 /nfs/dbraw/zinc/68/12/50/983681250.db2.gz VLXFXLSNNHVBCZ-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C1(CC)CCCCC1 ZINC001252489305 983799764 /nfs/dbraw/zinc/79/97/64/983799764.db2.gz YPPIJFMKHVHAGP-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2sccc21 ZINC001252585064 983835614 /nfs/dbraw/zinc/83/56/14/983835614.db2.gz JJYHYMMPSOCUPE-PWSUYJOCSA-N 1 0 223.341 2.262 20 30 BEEDRO C=C(C)CC[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001643400275 1169157111 /nfs/dbraw/zinc/15/71/11/1169157111.db2.gz ABGSJVYSKALICV-NWDGAFQWSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCCCCCCN1CC[C@@H]([NH2+]C)C1 ZINC000379812379 1169231446 /nfs/dbraw/zinc/23/14/46/1169231446.db2.gz OXJJOWFDFOUDPN-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)Cc1ccsc1 ZINC000380159983 1169234429 /nfs/dbraw/zinc/23/44/29/1169234429.db2.gz AWPHCDHBJYJDPL-PWSUYJOCSA-N 1 0 225.357 2.470 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000380159979 1169236036 /nfs/dbraw/zinc/23/60/36/1169236036.db2.gz AWPHCDHBJYJDPL-CMPLNLGQSA-N 1 0 225.357 2.470 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000380159981 1169235359 /nfs/dbraw/zinc/23/53/59/1169235359.db2.gz AWPHCDHBJYJDPL-JQWIXIFHSA-N 1 0 225.357 2.470 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC001254649618 1169237861 /nfs/dbraw/zinc/23/78/61/1169237861.db2.gz QHKAHXLGCAIREW-MELADBBJSA-N 1 0 247.386 2.285 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001491464905 1169278407 /nfs/dbraw/zinc/27/84/07/1169278407.db2.gz DUUNPLCTMZEEGK-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)/C=C(\C)CC ZINC001331438723 974718711 /nfs/dbraw/zinc/71/87/11/974718711.db2.gz BUFXMDUTGVNQQC-YQCJOKCJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H](CC)CC(C)C ZINC001172388353 974733775 /nfs/dbraw/zinc/73/37/75/974733775.db2.gz FCBCFTSPQBGCJD-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO CC(C)COCC[C@@H](C)[NH2+]C1CC(C#N)C1 ZINC001172473567 974770209 /nfs/dbraw/zinc/77/02/09/974770209.db2.gz VYUFVQDMCJHBFK-PNESKVBLSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cscn1 ZINC001172476354 974772756 /nfs/dbraw/zinc/77/27/56/974772756.db2.gz KEPDJUWRBOSRFZ-SECBINFHSA-N 1 0 209.318 2.315 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+][C@H](C)CCCC#N ZINC001172475864 974773245 /nfs/dbraw/zinc/77/32/45/974773245.db2.gz DHSXAQDJOYIVAK-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@H](C)CCCC#N ZINC001172476148 974773629 /nfs/dbraw/zinc/77/36/29/974773629.db2.gz HZGVBZZZDKGAAT-VXGBXAGGSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1(C#N)CCC1 ZINC001172477213 974774245 /nfs/dbraw/zinc/77/42/45/974774245.db2.gz XFSPTWCOFCIEMK-NSHDSACASA-N 1 0 205.305 2.352 20 30 BEEDRO Cc1oncc1C[NH2+][C@@H](C)CCCC#N ZINC001172477282 974775365 /nfs/dbraw/zinc/77/53/65/974775365.db2.gz YIVKPOSATPTQQX-VIFPVBQESA-N 1 0 207.277 2.155 20 30 BEEDRO COC1(C[N@H+](CCC#N)CC(C)C)CCC1 ZINC001331671238 974783424 /nfs/dbraw/zinc/78/34/24/974783424.db2.gz OUFWFNKBDQFOQZ-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1(C)CCOCC1 ZINC001172482241 974784151 /nfs/dbraw/zinc/78/41/51/974784151.db2.gz CWTZQFUHSUUMOC-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCOC[C@@H]1C ZINC001172484709 974789571 /nfs/dbraw/zinc/78/95/71/974789571.db2.gz HUQNOTJKMCBLSZ-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001172438683 974796631 /nfs/dbraw/zinc/79/66/31/974796631.db2.gz BETHKGHNZKBRIA-LLVKDONJSA-N 1 0 236.315 2.444 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001172438684 974796970 /nfs/dbraw/zinc/79/69/70/974796970.db2.gz BETHKGHNZKBRIA-NSHDSACASA-N 1 0 236.315 2.444 20 30 BEEDRO CC(C)OCC[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172455189 974818042 /nfs/dbraw/zinc/81/80/42/974818042.db2.gz RFTNROXMTUUIGD-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO COc1cncc(C[NH2+][C@H](C)CCCC#N)c1 ZINC001172489543 974834517 /nfs/dbraw/zinc/83/45/17/974834517.db2.gz UURLEMSSBYRMCF-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCO[C@@H]1CCCCO1 ZINC001172489771 974835010 /nfs/dbraw/zinc/83/50/10/974835010.db2.gz ZMPIGVVLCMUCHU-QWHCGFSZSA-N 1 0 240.347 2.202 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC001649180843 1169375620 /nfs/dbraw/zinc/37/56/20/1169375620.db2.gz FVUHEFMUUHLTCF-UHFFFAOYSA-N 1 0 230.315 2.137 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001246580919 972938042 /nfs/dbraw/zinc/93/80/42/972938042.db2.gz OHKSLJYXCZUBKQ-CHWSQXEVSA-N 1 0 228.355 2.494 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC ZINC001151960040 1169409604 /nfs/dbraw/zinc/40/96/04/1169409604.db2.gz FSOUYGXKGWIXKO-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@H](C[NH+](C)C)O[C@@H](C#N)c1ccccc1 ZINC001223709043 973230225 /nfs/dbraw/zinc/23/02/25/973230225.db2.gz IKRFGHRBJHVUGR-YPMHNXCESA-N 1 0 218.300 2.218 20 30 BEEDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1ncccc1C#N ZINC001155021278 1169418595 /nfs/dbraw/zinc/41/85/95/1169418595.db2.gz VNIPQPXKGRKIGQ-WCQYABFASA-N 1 0 244.342 2.001 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC1CC1 ZINC001328972388 973404175 /nfs/dbraw/zinc/40/41/75/973404175.db2.gz YPTBVAITPUHKGX-NXEZZACHSA-N 1 0 244.766 2.022 20 30 BEEDRO CC#CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001224358736 973599771 /nfs/dbraw/zinc/59/97/71/973599771.db2.gz LCAIBXAOORSGDG-WDNDVIMCSA-N 1 0 221.344 2.430 20 30 BEEDRO C#CCCCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001162439086 1169451097 /nfs/dbraw/zinc/45/10/97/1169451097.db2.gz HWKDDKMALYXWCX-ZDUSSCGKSA-N 1 0 229.327 2.331 20 30 BEEDRO C#C[C@@H](CCC)OCC1CC[NH+](C)CC1 ZINC001224452249 973656570 /nfs/dbraw/zinc/65/65/70/973656570.db2.gz DXYLKSJPHGIYDJ-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402207699 970771197 /nfs/dbraw/zinc/77/11/97/970771197.db2.gz LFOFWTFEFDAGCJ-NHYWBVRUSA-N 1 0 244.338 2.322 20 30 BEEDRO C#CCN1CC[NH+]([C@H](C)CCC(C)C)CC1 ZINC001256370310 970781491 /nfs/dbraw/zinc/78/14/91/970781491.db2.gz HMWBQBXZPABHHZ-CQSZACIVSA-N 1 0 222.376 2.062 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)Cc1ccccn1 ZINC001256396494 970804121 /nfs/dbraw/zinc/80/41/21/970804121.db2.gz GNXQZYVLKWFIFV-NSHDSACASA-N 1 0 202.301 2.014 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC001256402889 970810104 /nfs/dbraw/zinc/81/01/04/970810104.db2.gz WJRPIQGUZHXHRG-KBPBESRZSA-N 1 0 241.375 2.060 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1cc(C#N)co1 ZINC001256407821 970811865 /nfs/dbraw/zinc/81/18/65/970811865.db2.gz PYFDTOWDJZKEAG-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccccn2)C1 ZINC001256420478 970825135 /nfs/dbraw/zinc/82/51/35/970825135.db2.gz BOLUBKXXGAQPSS-ZIAGYGMSSA-N 1 0 228.339 2.358 20 30 BEEDRO CCOC1CCC([NH2+]CCCS)CC1 ZINC001256432895 970838574 /nfs/dbraw/zinc/83/85/74/970838574.db2.gz WBIUPRYHSOGRDW-UHFFFAOYSA-N 1 0 217.378 2.244 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC000351949088 970843397 /nfs/dbraw/zinc/84/33/97/970843397.db2.gz LSXFQCMJXSBXSV-ZDUSSCGKSA-N 1 0 211.349 2.293 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc(CC(C)C)o1 ZINC001256463613 970849543 /nfs/dbraw/zinc/84/95/43/970849543.db2.gz MOMQISLTUZIAJT-UHFFFAOYSA-N 1 0 235.331 2.377 20 30 BEEDRO Cc1ccc(Nc2[nH+]ccn2C)cc1C#N ZINC001216073166 970920747 /nfs/dbraw/zinc/92/07/47/970920747.db2.gz VITYFDRPOUQTEI-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403512222 970956232 /nfs/dbraw/zinc/95/62/32/970956232.db2.gz MIDBVWDBOMZJTE-ODWCKFRGSA-N 1 0 241.400 2.330 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403512225 970956489 /nfs/dbraw/zinc/95/64/89/970956489.db2.gz MIDBVWDBOMZJTE-WODVXLOZSA-N 1 0 241.400 2.330 20 30 BEEDRO C=CCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403621541 970999913 /nfs/dbraw/zinc/99/99/13/970999913.db2.gz HGYHNMYQECFCNI-YOGCLGLASA-N 1 0 227.373 2.205 20 30 BEEDRO N#C[C@@H]1CCCN1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256910986 971018001 /nfs/dbraw/zinc/01/80/01/971018001.db2.gz GXXAPFSPSQOGFR-GJZGRUSLSA-N 1 0 247.386 2.381 20 30 BEEDRO CC(C)(C#N)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898780 971016349 /nfs/dbraw/zinc/01/63/49/971016349.db2.gz PLPQTSDVSCOQDG-LBPRGKRZSA-N 1 0 235.375 2.285 20 30 BEEDRO CN1CCC[C@](C)([NH2+]C2CCC(C#N)CC2)C1 ZINC001256962053 971025446 /nfs/dbraw/zinc/02/54/46/971025446.db2.gz BKGXUMQIXZAZOG-RUXDESIVSA-N 1 0 235.375 2.143 20 30 BEEDRO COC(CCC[NH2+]C1CCC(C#N)CC1)OC ZINC001256960048 971026652 /nfs/dbraw/zinc/02/66/52/971026652.db2.gz XSSDRINFKHHVHC-UHFFFAOYSA-N 1 0 240.347 2.057 20 30 BEEDRO N#CC1CCC([NH2+]CCc2cncs2)CC1 ZINC001256957867 971031786 /nfs/dbraw/zinc/03/17/86/971031786.db2.gz JOWCPQSKCASXMV-UHFFFAOYSA-N 1 0 235.356 2.358 20 30 BEEDRO N#CC1CCC([N@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)CC1 ZINC001256963659 971028025 /nfs/dbraw/zinc/02/80/25/971028025.db2.gz KBKSVTZJHKRBIR-NPBHJFFNSA-N 1 0 222.307 2.359 20 30 BEEDRO COCC(C)(C)[NH2+]C1CCC(C#N)CC1 ZINC001256953709 971029670 /nfs/dbraw/zinc/02/96/70/971029670.db2.gz LVXAYKRUQLCWHE-UHFFFAOYSA-N 1 0 210.321 2.083 20 30 BEEDRO N#CC1CCC([NH2+]C2(c3cccnn3)CC2)CC1 ZINC001256956055 971032424 /nfs/dbraw/zinc/03/24/24/971032424.db2.gz IIXWPZFHIXHDDO-UHFFFAOYSA-N 1 0 242.326 2.138 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCC[C@@H]1O ZINC001256964894 971040491 /nfs/dbraw/zinc/04/04/91/971040491.db2.gz GIJBKOJGVRLPBQ-ABXWRUBCSA-N 1 0 236.359 2.162 20 30 BEEDRO CN(C1CC1)[C@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256971956 971050623 /nfs/dbraw/zinc/05/06/23/971050623.db2.gz PGOVJKSRZJLFLR-ZALBZXLWSA-N 1 0 247.386 2.237 20 30 BEEDRO CN(C)C[C@@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256969558 971046956 /nfs/dbraw/zinc/04/69/56/971046956.db2.gz LLVJXZMFXXWNBY-RUXDESIVSA-N 1 0 235.375 2.095 20 30 BEEDRO CNc1cc(Nc2ncc(C)cc2C#N)cc[nH+]1 ZINC001216334289 971047690 /nfs/dbraw/zinc/04/76/90/971047690.db2.gz SLUIIIXSPLQHRJ-UHFFFAOYSA-N 1 0 239.282 2.442 20 30 BEEDRO N#CC1CCC([N@@H+]2CCOC[C@@H]2C2CC2)CC1 ZINC001256972139 971050987 /nfs/dbraw/zinc/05/09/87/971050987.db2.gz RHQZCDKQZNRMOT-UXUKBGGZSA-N 1 0 234.343 2.180 20 30 BEEDRO N#CC1CCC([NH+]2CC3CC(C3)C2)CC1 ZINC001256971170 971048810 /nfs/dbraw/zinc/04/88/10/971048810.db2.gz DDDOMJXUZNYFEV-UHFFFAOYSA-N 1 0 204.317 2.411 20 30 BEEDRO O/N=C/c1ccc(F)c(C2=C[NH2+]CCC2)c1 ZINC001243952171 971049605 /nfs/dbraw/zinc/04/96/05/971049605.db2.gz NAOPAEPKMVKGGO-VIZOYTHASA-N 1 0 220.247 2.358 20 30 BEEDRO Cc1nc2c(n1C1CCC(C#N)CC1)C[NH2+]CC2 ZINC001256973117 971049495 /nfs/dbraw/zinc/04/94/95/971049495.db2.gz LSHXLTBJVWOAKU-UHFFFAOYSA-N 1 0 244.342 2.092 20 30 BEEDRO COc1ccc(CC#N)cc1C1=C[NH2+]CCC1 ZINC001243952394 971054000 /nfs/dbraw/zinc/05/40/00/971054000.db2.gz LFDDZCIZXAKLBC-UHFFFAOYSA-N 1 0 228.295 2.486 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CCO1 ZINC001256973758 971055107 /nfs/dbraw/zinc/05/51/07/971055107.db2.gz XJUJVBVSMFXHSY-RUXDESIVSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)CCC(=C)C)C1CC1 ZINC001276594929 1169508578 /nfs/dbraw/zinc/50/85/78/1169508578.db2.gz GTTBTRJSALBTOT-ZDUSSCGKSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257030233 971068925 /nfs/dbraw/zinc/06/89/25/971068925.db2.gz RKIKTPSAGRJTIX-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257030230 971070158 /nfs/dbraw/zinc/07/01/58/971070158.db2.gz RKIKTPSAGRJTIX-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO Cc1cccc(C#N)c1NC1=CC[N@H+](C)CC1 ZINC001208859706 1169510695 /nfs/dbraw/zinc/51/06/95/1169510695.db2.gz XYVCJGVLTHLRHJ-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO N#Cc1ccc(CCC[N@@H+]2CCCOCC2)cc1 ZINC001208860529 1169511573 /nfs/dbraw/zinc/51/15/73/1169511573.db2.gz OKDOZCDXHIBBIA-UHFFFAOYSA-N 1 0 244.338 2.213 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257049820 971081122 /nfs/dbraw/zinc/08/11/22/971081122.db2.gz ZCSBCWJZCUDTLZ-CHWSQXEVSA-N 1 0 237.343 2.111 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C(=O)OCC)C2)C1 ZINC001257063450 971082966 /nfs/dbraw/zinc/08/29/66/971082966.db2.gz HIIKEPHCBXTIAP-MGPQQGTHSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1n1cncn1 ZINC001257169320 971118607 /nfs/dbraw/zinc/11/86/07/971118607.db2.gz SASHUUXTCZMRHG-BFHYXJOUSA-N 1 0 246.358 2.011 20 30 BEEDRO N#C[C@@H]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224747961 973909378 /nfs/dbraw/zinc/90/93/78/973909378.db2.gz FIOQCTFNRKYOLD-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CC[C@H](CC)OCCC[NH+]1CCCC1 ZINC001224751386 973914526 /nfs/dbraw/zinc/91/45/26/973914526.db2.gz YJTLZGJNZSVYGK-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000404080492 971122018 /nfs/dbraw/zinc/12/20/18/971122018.db2.gz OYYFIAKNYQKTNI-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCCC[C@H]2C#N)CC1 ZINC001257218534 971132285 /nfs/dbraw/zinc/13/22/85/971132285.db2.gz UHAULQZYQXHXFZ-AWEZNQCLSA-N 1 0 235.375 2.237 20 30 BEEDRO COc1ccc(C#N)c(Nc2c[nH+]cn2C)c1 ZINC001211251115 1169532136 /nfs/dbraw/zinc/53/21/36/1169532136.db2.gz XXDGOQDDUYOZMT-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405104785 971198221 /nfs/dbraw/zinc/19/82/21/971198221.db2.gz GHJXVNHQHIRSLU-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171391861 973998659 /nfs/dbraw/zinc/99/86/59/973998659.db2.gz HPFIAXZPIUVXAB-LLVKDONJSA-N 1 0 218.275 2.186 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C=C(C)C)CC[C@H]1C ZINC001131772174 971270210 /nfs/dbraw/zinc/27/02/10/971270210.db2.gz NAAAEDSRJHEUPY-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)CCCC)CC[C@H]1C ZINC001131857479 971285041 /nfs/dbraw/zinc/28/50/41/971285041.db2.gz WQEMRVYZVHMRBW-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC=C)C1 ZINC001131898825 971289428 /nfs/dbraw/zinc/28/94/28/971289428.db2.gz FYNDJZZKDDJUFV-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(C)(C)C(=C)C ZINC001132303959 971331119 /nfs/dbraw/zinc/33/11/19/971331119.db2.gz CATKMTPZGDAFAB-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@]1(C)C=CCC1 ZINC001132511156 971368313 /nfs/dbraw/zinc/36/83/13/971368313.db2.gz UUTAVLGKVAHDMY-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC)CC[C@@H]1C ZINC001132571165 971380467 /nfs/dbraw/zinc/38/04/67/971380467.db2.gz ICKRKVHBVALJLK-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)[C@@H](C)C=C ZINC001132577326 971384054 /nfs/dbraw/zinc/38/40/54/971384054.db2.gz SSIWQPPCXHHCOK-QWHCGFSZSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CCC(=C)C ZINC001132573891 971384854 /nfs/dbraw/zinc/38/48/54/971384854.db2.gz RTWWHZLEGDZCBT-QWHCGFSZSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CCCCC ZINC001132577127 971385237 /nfs/dbraw/zinc/38/52/37/971385237.db2.gz RPYMDOYYXKMXOS-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCCC1CC1 ZINC001132601856 971387222 /nfs/dbraw/zinc/38/72/22/971387222.db2.gz PTRDYVIVWLZDFA-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]C[C@@H](F)CC ZINC001132660232 971395584 /nfs/dbraw/zinc/39/55/84/971395584.db2.gz KVLBYNOVOYFLRE-RYUDHWBXSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC[C@H](C)F ZINC001132660156 971396795 /nfs/dbraw/zinc/39/67/95/971396795.db2.gz JQLVOLWKKYFSCI-NWDGAFQWSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC[C@H](C)F ZINC001132653910 971397191 /nfs/dbraw/zinc/39/71/91/971397191.db2.gz UTPXNHVRTVKKJX-NEPJUHHUSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC1CCC1 ZINC001132653294 971398156 /nfs/dbraw/zinc/39/81/56/971398156.db2.gz JGBJUHDBAFJFGA-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC1CC(C)(C)C1 ZINC001132771079 971410750 /nfs/dbraw/zinc/41/07/50/971410750.db2.gz IACMBVFCHHPOLW-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO N#C[C@H](OC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217834827 971427713 /nfs/dbraw/zinc/42/77/13/971427713.db2.gz GCXTWAHFPFOWFL-OCCSQVGLSA-N 1 0 230.311 2.267 20 30 BEEDRO C#C[C@H](CCCCC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217835115 971429644 /nfs/dbraw/zinc/42/96/44/971429644.db2.gz JIBHIGUTUYUPDN-QWHCGFSZSA-N 1 0 239.359 2.310 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(CCC)CCC ZINC001133026791 971440523 /nfs/dbraw/zinc/44/05/23/971440523.db2.gz LKRJQMCLKPQOGZ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CC1CC(C)C1 ZINC001133144769 971464533 /nfs/dbraw/zinc/46/45/33/971464533.db2.gz BCFQJEZANOCSME-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)CCC ZINC001133173539 971465968 /nfs/dbraw/zinc/46/59/68/971465968.db2.gz ZEIYYUBSDOTZFC-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(CCCC)CC1 ZINC001133369182 971502643 /nfs/dbraw/zinc/50/26/43/971502643.db2.gz QPUVMGTVRSODOT-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]CC(=C)Cl ZINC001133378122 971504770 /nfs/dbraw/zinc/50/47/70/971504770.db2.gz ANJOJDMPYUTPJP-LBPRGKRZSA-N 1 0 244.766 2.047 20 30 BEEDRO C#CC1CC[NH+](C2CCC(C(=O)OC)CC2)CC1 ZINC001257868064 971507886 /nfs/dbraw/zinc/50/78/86/971507886.db2.gz XTHIHNQANZBVKH-UHFFFAOYSA-N 1 0 249.354 2.063 20 30 BEEDRO CCCC[C@@H](CC)CO[C@H]1C[NH2+]C[C@@H]1C#N ZINC001217909973 971512275 /nfs/dbraw/zinc/51/22/75/971512275.db2.gz JSTPMUKJGHZTPG-AGIUHOORSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H]3CCO3)C[C@H](C1)C2 ZINC001257886319 971518165 /nfs/dbraw/zinc/51/81/65/971518165.db2.gz AETAVZLUNHJNED-PIGZVRMJSA-N 1 0 221.344 2.500 20 30 BEEDRO N#C[C@@H](OC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001217928809 971532983 /nfs/dbraw/zinc/53/29/83/971532983.db2.gz HSGTYYDVUXMHRV-SMDDNHRTSA-N 1 0 248.301 2.407 20 30 BEEDRO N#C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001217928778 971533755 /nfs/dbraw/zinc/53/37/55/971533755.db2.gz HSGTYYDVUXMHRV-BXUZGUMPSA-N 1 0 248.301 2.407 20 30 BEEDRO N#C[C@@H](OC[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC001217930235 971535773 /nfs/dbraw/zinc/53/57/73/971535773.db2.gz NRMTZYOHOHNVSY-SMDDNHRTSA-N 1 0 248.301 2.407 20 30 BEEDRO C[C@@H](CC(C)(C)S)OC[C@H]1CCC[NH2+]C1 ZINC001217929798 971536100 /nfs/dbraw/zinc/53/61/00/971536100.db2.gz XZSDFYDZIXWQEY-QWRGUYRKSA-N 1 0 231.405 2.490 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257952367 971544297 /nfs/dbraw/zinc/54/42/97/971544297.db2.gz HTODKLUIFIDSHG-BXKDBHETSA-N 1 0 235.714 2.255 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001133472859 971545098 /nfs/dbraw/zinc/54/50/98/971545098.db2.gz HEOXUQLYFQRIFR-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C#CC1([NH2+][C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257949772 971547251 /nfs/dbraw/zinc/54/72/51/971547251.db2.gz BLLBQZLKPDJUKM-LBPRGKRZSA-N 1 0 247.725 2.399 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1COc2ccc(Cl)cc2C1 ZINC001257969016 971550208 /nfs/dbraw/zinc/55/02/08/971550208.db2.gz UMKNZMNXEFYJSP-GFCCVEGCSA-N 1 0 235.714 2.209 20 30 BEEDRO Cc1c(C#N)cccc1O[C@H]1CCCC[NH2+]C1 ZINC001217971810 971556237 /nfs/dbraw/zinc/55/62/37/971556237.db2.gz XHFPONVCRQNNIZ-ZDUSSCGKSA-N 1 0 230.311 2.388 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)C ZINC001133541604 971557312 /nfs/dbraw/zinc/55/73/12/971557312.db2.gz YKFMJUVDPGVXEY-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO Cc1cc(C#N)ccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217979464 971557167 /nfs/dbraw/zinc/55/71/67/971557167.db2.gz HKOQSJXNPVOVLQ-JSGCOSHPSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)ccc1C#N ZINC001217979883 971559379 /nfs/dbraw/zinc/55/93/79/971559379.db2.gz IODDSSIEGQSPJS-UONOGXRCSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(C#N)cc(O[C@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217977888 971559546 /nfs/dbraw/zinc/55/95/46/971559546.db2.gz OOVGZKNANHFWRL-KGLIPLIRSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@@H](C)n1nnc(CC[NH3+])n1 ZINC001258039703 971560287 /nfs/dbraw/zinc/56/02/87/971560287.db2.gz VPRPMTPZBMSGRX-LLVKDONJSA-N 1 0 239.367 2.096 20 30 BEEDRO CCCCCCC[C@H](C)n1nnc(CC[NH3+])n1 ZINC001258039706 971562382 /nfs/dbraw/zinc/56/23/82/971562382.db2.gz VPRPMTPZBMSGRX-NSHDSACASA-N 1 0 239.367 2.096 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001133529757 971562754 /nfs/dbraw/zinc/56/27/54/971562754.db2.gz WFDMZVFJKFIVJF-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC001258041054 971563164 /nfs/dbraw/zinc/56/31/64/971563164.db2.gz KVNRYIQSZXJAGY-BFHYXJOUSA-N 1 0 243.391 2.163 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C1(C)CC(=C)C1 ZINC001133565633 971567363 /nfs/dbraw/zinc/56/73/63/971567363.db2.gz FAWUAARMENHHBM-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[NH2+]C[C@@H](C)CC)C1 ZINC001133566277 971568761 /nfs/dbraw/zinc/56/87/61/971568761.db2.gz YVYQAMKGTUBBLF-NSHDSACASA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001133582990 971571513 /nfs/dbraw/zinc/57/15/13/971571513.db2.gz YAACLCSYLUKAQS-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO Cc1c(C#N)ccc(O[C@H]2C[NH2+][C@H](C)C2)c1C ZINC001218036448 971582508 /nfs/dbraw/zinc/58/25/08/971582508.db2.gz OOIOFYLFWKNNMT-NOZJJQNGSA-N 1 0 230.311 2.304 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001133661785 971589034 /nfs/dbraw/zinc/58/90/34/971589034.db2.gz DUMFLSPXYORJHS-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO C[Si](C)(C)C#Cc1ccc(OC2C[NH2+]C2)cc1 ZINC001218049136 971590209 /nfs/dbraw/zinc/59/02/09/971590209.db2.gz FBSQEFNEGQGGFY-UHFFFAOYSA-N 1 0 245.398 2.266 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133759145 971594904 /nfs/dbraw/zinc/59/49/04/971594904.db2.gz QSMZQQAZOLRRAY-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO Cc1cccc(O[C@@H]2C[NH+]3CCC2CC3)c1C#N ZINC001226920451 1169615391 /nfs/dbraw/zinc/61/53/91/1169615391.db2.gz RTNJTLUFNNANKR-OAHLLOKOSA-N 1 0 242.322 2.340 20 30 BEEDRO C=CCc1cccc(O[C@H]2CC[NH2+]C2)c1 ZINC001218181417 971614018 /nfs/dbraw/zinc/61/40/18/971614018.db2.gz CTRFXYPEOSVEFO-ZDUSSCGKSA-N 1 0 203.285 2.156 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001133888821 971615700 /nfs/dbraw/zinc/61/57/00/971615700.db2.gz NBZNGRGXSJNUBC-NEPJUHHUSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC=C ZINC001133887867 971616209 /nfs/dbraw/zinc/61/62/09/971616209.db2.gz CDKHBIWJEGTRJF-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(OC)cc1C ZINC001218204079 971626220 /nfs/dbraw/zinc/62/62/20/971626220.db2.gz MIZKUFYHBULELN-AWEZNQCLSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1nc2c(cccc2C)[nH]1 ZINC001218204493 971627402 /nfs/dbraw/zinc/62/74/02/971627402.db2.gz QJZIUGOPEKCVAU-GFCCVEGCSA-N 1 0 243.310 2.168 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC1CC1 ZINC001133961022 971628010 /nfs/dbraw/zinc/62/80/10/971628010.db2.gz UCCKXVADZOMPDK-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(F)ccc1C ZINC001218203445 971628044 /nfs/dbraw/zinc/62/80/44/971628044.db2.gz FTXJKQZSKDVZMS-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(OC(C)C)nc1 ZINC001218211083 971630129 /nfs/dbraw/zinc/63/01/29/971630129.db2.gz QDENXMSXEDMQDB-ZDUSSCGKSA-N 1 0 248.326 2.166 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C=C\C1CC1 ZINC001134017275 971637814 /nfs/dbraw/zinc/63/78/14/971637814.db2.gz BIQUTYWXBHDAOE-WZIXFXTNSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C/C ZINC001134051421 971655110 /nfs/dbraw/zinc/65/51/10/971655110.db2.gz JLRZRJRRPNRPFH-OXJBHRBVSA-N 1 0 238.375 2.402 20 30 BEEDRO Cc1c(C#N)cccc1OC1CC[NH+](C)CC1 ZINC001228032431 1169630982 /nfs/dbraw/zinc/63/09/82/1169630982.db2.gz VTMBWNZMVKTCTG-UHFFFAOYSA-N 1 0 230.311 2.340 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C=C1CCC1 ZINC001134108356 971666609 /nfs/dbraw/zinc/66/66/09/971666609.db2.gz ASBWUJCJPPARIV-NWDGAFQWSA-N 1 0 236.359 2.156 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3cncc(C#N)c3)C[C@@H]21 ZINC001170731346 971671597 /nfs/dbraw/zinc/67/15/97/971671597.db2.gz POLNECSCJIGYJO-BTTYYORXSA-N 1 0 241.338 2.477 20 30 BEEDRO N#Cc1cccc(O[C@@H]2CCC[NH2+]C2)c1Cl ZINC001218283053 971676200 /nfs/dbraw/zinc/67/62/00/971676200.db2.gz BGWRBMXKNGVUBQ-SNVBAGLBSA-N 1 0 236.702 2.342 20 30 BEEDRO N#Cc1cccc(Cl)c1O[C@H]1CCC[NH2+]C1 ZINC001218285174 971678442 /nfs/dbraw/zinc/67/84/42/971678442.db2.gz DODZCOGBSBYQKV-JTQLQIEISA-N 1 0 236.702 2.342 20 30 BEEDRO C=CCOc1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218284370 971678535 /nfs/dbraw/zinc/67/85/35/971678535.db2.gz VYUNTBFXYUMPAG-LBPRGKRZSA-N 1 0 233.311 2.382 20 30 BEEDRO C=CCOc1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218284368 971680070 /nfs/dbraw/zinc/68/00/70/971680070.db2.gz VYUNTBFXYUMPAG-GFCCVEGCSA-N 1 0 233.311 2.382 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCCC(C)C ZINC001134199031 971683692 /nfs/dbraw/zinc/68/36/92/971683692.db2.gz PKVMSWOEUAZBIW-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CCC1=C(Oc2cccc(C[NH3+])c2)C(=O)[C@@H](C)O1 ZINC001218288062 971684475 /nfs/dbraw/zinc/68/44/75/971684475.db2.gz RAKBKMBONMTQPN-SECBINFHSA-N 1 0 247.294 2.134 20 30 BEEDRO C=C[C@@H](CC)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218290048 971684575 /nfs/dbraw/zinc/68/45/75/971684575.db2.gz DFFZYKMOAAOTDL-AWEZNQCLSA-N 1 0 246.354 2.440 20 30 BEEDRO C#C[C@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000775183016 971690476 /nfs/dbraw/zinc/69/04/76/971690476.db2.gz FVBMOWNRGJEJRB-VIFPVBQESA-N 1 0 220.341 2.085 20 30 BEEDRO CCC#C[C@H](C)Oc1cccc(C[NH3+])c1 ZINC001218315615 971702564 /nfs/dbraw/zinc/70/25/64/971702564.db2.gz IIBJIAKVFKKFFJ-NSHDSACASA-N 1 0 203.285 2.326 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2cc(F)cc(C#N)c2)C1 ZINC001229034047 1169644759 /nfs/dbraw/zinc/64/47/59/1169644759.db2.gz BDFXJCNWBXOOIX-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229066754 1169648446 /nfs/dbraw/zinc/64/84/46/1169648446.db2.gz DWXYZEATWBTSNM-JTQLQIEISA-N 1 0 236.702 2.295 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CCCC ZINC001134428309 971723369 /nfs/dbraw/zinc/72/33/69/971723369.db2.gz HZSXTIVVWIDVOK-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CCC(=C)C ZINC001134411925 971723757 /nfs/dbraw/zinc/72/37/57/971723757.db2.gz MNVPYNHHIADLOS-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc[nH]c1 ZINC001134421382 971723900 /nfs/dbraw/zinc/72/39/00/971723900.db2.gz FWTLJFRBSLFDTM-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C)CC1 ZINC001134434656 971725623 /nfs/dbraw/zinc/72/56/23/971725623.db2.gz IEEQAXUNXKTBMA-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C)CC1 ZINC001134434654 971726196 /nfs/dbraw/zinc/72/61/96/971726196.db2.gz IEEQAXUNXKTBMA-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1O[C@@H](CC)C(=O)C1Oc1cccc(C[NH3+])c1 ZINC001218354810 971726486 /nfs/dbraw/zinc/72/64/86/971726486.db2.gz YJSRONAFOVOATC-LBPRGKRZSA-N 1 0 247.294 2.134 20 30 BEEDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc2ccc(C#N)cc2c1 ZINC001218384945 971763431 /nfs/dbraw/zinc/76/34/31/971763431.db2.gz JYGHSYRBSOCURB-MEBBXXQBSA-N 1 0 238.290 2.451 20 30 BEEDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc2cccc(C#N)c2c1 ZINC001218384415 971763940 /nfs/dbraw/zinc/76/39/40/971763940.db2.gz CZNJKPMLFBNKHN-MEBBXXQBSA-N 1 0 238.290 2.451 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CCCOCC1 ZINC001170768378 971771770 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/nfs/dbraw/zinc/51/32/07/974513207.db2.gz RWKQFZXHTLNFOJ-GFCCVEGCSA-N 1 0 212.296 2.102 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(OC)nc1 ZINC001218452430 971822071 /nfs/dbraw/zinc/82/20/71/971822071.db2.gz XNJXNJIILWFMBD-CHWSQXEVSA-N 1 0 248.326 2.166 20 30 BEEDRO Cc1cccc(O[C@H]2C[NH2+]CC[C@H]2C)c1C#N ZINC001218480946 971828149 /nfs/dbraw/zinc/82/81/49/971828149.db2.gz JVZDPEUYUFHJLE-RISCZKNCSA-N 1 0 230.311 2.244 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C)CCC1 ZINC001135193722 971841280 /nfs/dbraw/zinc/84/12/80/971841280.db2.gz NYUQILCTVFCCQW-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c1 ZINC001231658256 1169677232 /nfs/dbraw/zinc/67/72/32/1169677232.db2.gz SRZLNORFOQGUKH-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCCC[C@](C)(O)C2)c1 ZINC001231657777 1169677423 /nfs/dbraw/zinc/67/74/23/1169677423.db2.gz MRTFETAMPAUPPY-INIZCTEOSA-N 1 0 243.350 2.405 20 30 BEEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C/C=C(\C)C=C 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C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(CC)CC1 ZINC001135389881 971884737 /nfs/dbraw/zinc/88/47/37/971884737.db2.gz DSYJGKNNVQRSIZ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC)C1 ZINC001135427126 971888911 /nfs/dbraw/zinc/88/89/11/971888911.db2.gz MAJZYODDDOKBRX-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000309970555 971900586 /nfs/dbraw/zinc/90/05/86/971900586.db2.gz PGZARDVWBGXLHS-NSHDSACASA-N 1 0 240.734 2.334 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135564502 971920073 /nfs/dbraw/zinc/92/00/73/971920073.db2.gz DXOODUXSPZOFIL-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCNC[C@@H](O)C1 ZINC000310245028 971962168 /nfs/dbraw/zinc/96/21/68/971962168.db2.gz URKHETWHYAHBRM-CQSZACIVSA-N 1 0 242.407 2.003 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[N@H+]1CCC(=C)C ZINC001276799338 971968173 /nfs/dbraw/zinc/96/81/73/971968173.db2.gz BAIPUTUUGNMBHS-CYBMUJFWSA-N 1 0 236.359 2.109 20 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C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[C@@]1(C)CC ZINC001136101117 972031722 /nfs/dbraw/zinc/03/17/22/972031722.db2.gz YBHYIRLXRSOEMP-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C1(C)CC1 ZINC001170908687 972081623 /nfs/dbraw/zinc/08/16/23/972081623.db2.gz NMYRHSZXOBJQOJ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CC1(C[N@@H+]2CCC[C@@H](C#N)CC2)CCOCC1 ZINC001207969667 956899950 /nfs/dbraw/zinc/89/99/50/956899950.db2.gz RILKNIUXWMXMFN-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(C)CN(CC)c1ccc2c(n1)CC[NH2+]C2 ZINC001167050146 956900996 /nfs/dbraw/zinc/90/09/96/956900996.db2.gz RYHAYHMXYSDABF-UHFFFAOYSA-N 1 0 231.343 2.130 20 30 BEEDRO CC[NH+](CC)CCN(C)Cc1ccc(C#N)cc1 ZINC000193468930 972225423 /nfs/dbraw/zinc/22/54/23/972225423.db2.gz MNRPMXJPMBAXJV-UHFFFAOYSA-N 1 0 245.370 2.332 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC001167062468 957042663 /nfs/dbraw/zinc/04/26/63/957042663.db2.gz KKBIMBWBMXTXSF-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO CC1(C)CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402122246 957055980 /nfs/dbraw/zinc/05/59/80/957055980.db2.gz BYCGCYHUOPFYQY-CQSZACIVSA-N 1 0 244.338 2.466 20 30 BEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CCC1 ZINC000402157468 957080151 /nfs/dbraw/zinc/08/01/51/957080151.db2.gz QGCJGBXWRUABTR-CQSZACIVSA-N 1 0 230.311 2.076 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001266338936 957288296 /nfs/dbraw/zinc/28/82/96/957288296.db2.gz GIMZAMSHUVNMTK-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C/C=C(\C)C=C)C1 ZINC001209038591 957294695 /nfs/dbraw/zinc/29/46/95/957294695.db2.gz DZELTSDVLJWYRY-CZAWJFPGSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCCC[NH+]1CCC2(CCC(=O)O2)CC1 ZINC001209160321 957336952 /nfs/dbraw/zinc/33/69/52/957336952.db2.gz QBIGGYSWKMAADA-UHFFFAOYSA-N 1 0 223.316 2.124 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C(=O)OC)CC[C@H]1C ZINC001209160405 957339303 /nfs/dbraw/zinc/33/93/03/957339303.db2.gz XOOOHIMKNVIRGM-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2nn(C)cc2C1 ZINC001209204711 957350777 /nfs/dbraw/zinc/35/07/77/957350777.db2.gz IJLBFUFXVYPRSY-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO C=C1CC=C(F)C=C1NC(=O)C=C1CC[NH2+]CC1 ZINC001220797217 972261455 /nfs/dbraw/zinc/26/14/55/972261455.db2.gz MBEHGWBALTVGRD-UHFFFAOYSA-N 1 0 248.301 2.110 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCNC(=O)C(C)(C)F ZINC001266371887 957398540 /nfs/dbraw/zinc/39/85/40/957398540.db2.gz KQJSZTXBCSOHCP-UHFFFAOYSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)/C=C(/C)CC ZINC001266387773 957423028 /nfs/dbraw/zinc/42/30/28/957423028.db2.gz GBZISZQREPYPNY-RAXLEYEMSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCCCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001209431939 957465041 /nfs/dbraw/zinc/46/50/41/957465041.db2.gz WKXIHIKLURKJOE-ZDUSSCGKSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCn2nncc2C1 ZINC001209440396 957475376 /nfs/dbraw/zinc/47/53/76/957475376.db2.gz JNGLIDUSIUFXDF-UHFFFAOYSA-N 1 0 234.347 2.230 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)C(C)(C)C1CC1 ZINC001266410446 957488406 /nfs/dbraw/zinc/48/84/06/957488406.db2.gz BCRLAPFCIHHFJL-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CCC1CC[NH+](CC2CCC(O)CC2)CC1 ZINC000397174605 957516220 /nfs/dbraw/zinc/51/62/20/957516220.db2.gz FZXAWGJDERFWEE-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C1CC1 ZINC001125334273 957550787 /nfs/dbraw/zinc/55/07/87/957550787.db2.gz JZSJOOMGXWOJDC-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC)C1 ZINC001266448521 957571819 /nfs/dbraw/zinc/57/18/19/957571819.db2.gz PHWXKGFGLIJXNF-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001266476247 957618260 /nfs/dbraw/zinc/61/82/60/957618260.db2.gz UVUQBSDCQPLRKK-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2c1OCC2)C(C)C ZINC000693090714 957666329 /nfs/dbraw/zinc/66/63/29/957666329.db2.gz JMQLUGFVZYLZMH-AWEZNQCLSA-N 1 0 229.323 2.369 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001266508663 957670684 /nfs/dbraw/zinc/67/06/84/957670684.db2.gz GQLLPOODCPHHCH-HCYCVZQXSA-N 1 0 248.370 2.109 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CC(=O)N(C)OC ZINC000397533899 957681831 /nfs/dbraw/zinc/68/18/31/957681831.db2.gz OHJCSBZPFLOBHB-GFCCVEGCSA-N 1 0 244.379 2.345 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000693173305 957789676 /nfs/dbraw/zinc/78/96/76/957789676.db2.gz IZHVPFWJAZWTFB-JTQLQIEISA-N 1 0 203.285 2.286 20 30 BEEDRO N#Cc1cccc2c1CC[C@H]2Nc1cc[nH+]cc1 ZINC001171059030 972295758 /nfs/dbraw/zinc/29/57/58/972295758.db2.gz FAABPOBPHACCNC-OAHLLOKOSA-N 1 0 235.290 2.475 20 30 BEEDRO C[C@@H]1CC(=O)C=C(Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001210769393 957869600 /nfs/dbraw/zinc/86/96/00/957869600.db2.gz QUYSQRQBALRHHV-JTQLQIEISA-N 1 0 245.326 2.442 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(C#N)s1 ZINC001211248596 958110038 /nfs/dbraw/zinc/11/00/38/958110038.db2.gz PMRGGCVGLMOABB-UHFFFAOYSA-N 1 0 204.258 2.097 20 30 BEEDRO Cc1cccc(C#N)c1Nc1c[nH+]cn1C ZINC001211249986 958115340 /nfs/dbraw/zinc/11/53/40/958115340.db2.gz CHYOFJPDSYWLDG-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO Cn1c[nH+]cc1Nc1cc(F)c(F)cc1C#N ZINC001211251577 958121270 /nfs/dbraw/zinc/12/12/70/958121270.db2.gz KCAAQZWXRCSLTE-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(C#N)cc1C ZINC001211262807 958128445 /nfs/dbraw/zinc/12/84/45/958128445.db2.gz LDRBCVSUBLVGKS-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=C(Cl)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187924522 958161284 /nfs/dbraw/zinc/16/12/84/958161284.db2.gz QQEHDCBOHKVBLB-GXSJLCMTSA-N 1 0 217.740 2.222 20 30 BEEDRO CC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402295726 958197184 /nfs/dbraw/zinc/19/71/84/958197184.db2.gz ZGMVITJQSCWQOF-RISCZKNCSA-N 1 0 232.327 2.322 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@H](O)c1cccc(C#N)c1 ZINC000402276057 958197514 /nfs/dbraw/zinc/19/75/14/958197514.db2.gz VKYCMMCCBACIPD-HNNXBMFYSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)/C(C)=C\C ZINC001266670971 958208910 /nfs/dbraw/zinc/20/89/10/958208910.db2.gz ALGIQEYOWSCODF-OTAKNEKHSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001266673974 958218746 /nfs/dbraw/zinc/21/87/46/958218746.db2.gz IIEXOZFIZKATBU-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)/C=C\C(C)(C)C)C1 ZINC001266674122 958219100 /nfs/dbraw/zinc/21/91/00/958219100.db2.gz MTEMKTXXZARLPQ-MRJODMTISA-N 1 0 236.359 2.012 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001266673975 958221329 /nfs/dbraw/zinc/22/13/29/958221329.db2.gz IIEXOZFIZKATBU-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2C)C1 ZINC001021787636 958231655 /nfs/dbraw/zinc/23/16/55/958231655.db2.gz ATGJHNTYQWAJLU-BETUJISGSA-N 1 0 244.338 2.031 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cocc2C)C1 ZINC001266705383 958279979 /nfs/dbraw/zinc/27/99/79/958279979.db2.gz GEGZKLKXSQCWPR-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001266743389 958332438 /nfs/dbraw/zinc/33/24/38/958332438.db2.gz GVSYFRNDPWMXLK-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCCCO2)CCC1 ZINC000933300803 958353661 /nfs/dbraw/zinc/35/36/61/958353661.db2.gz FHWAXDYXTNIRIR-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCCCO2)CCC1 ZINC000933300802 958354946 /nfs/dbraw/zinc/35/49/46/958354946.db2.gz FHWAXDYXTNIRIR-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@H](OC)C12CCC2)C(C)C ZINC000308357112 958369815 /nfs/dbraw/zinc/36/98/15/958369815.db2.gz DAGRYYPIORIDAC-AVGNSLFASA-N 1 0 221.344 2.191 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001221528771 972345230 /nfs/dbraw/zinc/34/52/30/972345230.db2.gz ZBELUOSYEPNDGL-ISESHHHUSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C1(CC)CCC1 ZINC001266808710 958424855 /nfs/dbraw/zinc/42/48/55/958424855.db2.gz NTIVQTDUAYEKMS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCCc2ncccc21 ZINC001348561222 958425127 /nfs/dbraw/zinc/42/51/27/958425127.db2.gz PULRLJXBCJPYNK-SMDDNHRTSA-N 1 0 232.327 2.250 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000692327227 958520398 /nfs/dbraw/zinc/52/03/98/958520398.db2.gz DNOXWAMPMRYPGM-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)c1cc[nH]c1 ZINC001266941753 958629041 /nfs/dbraw/zinc/62/90/41/958629041.db2.gz SXWOPMDWDHNITL-NEPJUHHUSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C(C)(C)CC(C)C ZINC001266965994 958674418 /nfs/dbraw/zinc/67/44/18/958674418.db2.gz FLKIXGVLAMZLSM-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1CCSCC1 ZINC001349600716 958719620 /nfs/dbraw/zinc/71/96/20/958719620.db2.gz XRTAKRYTHIVVAB-UHFFFAOYSA-N 1 0 223.385 2.475 20 30 BEEDRO N#CCCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246522361 972377588 /nfs/dbraw/zinc/37/75/88/972377588.db2.gz CHJQZGJLKWFBNR-OAHLLOKOSA-N 1 0 243.354 2.154 20 30 BEEDRO CC1CC([N@H+](C)Cc2ccc(C#N)nc2)C1 ZINC001140540294 958823143 /nfs/dbraw/zinc/82/31/43/958823143.db2.gz PXBPVCZFGXUTDF-UHFFFAOYSA-N 1 0 215.300 2.184 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)CC1CC1 ZINC001267116762 958892462 /nfs/dbraw/zinc/89/24/62/958892462.db2.gz KRKWDZKVSNYKDX-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)c1ccccc1C ZINC001267118982 958897637 /nfs/dbraw/zinc/89/76/37/958897637.db2.gz VLQTUZUMBVHBPU-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO CC#CC[NH2+][C@H](C)CCNC(=O)CCCCC ZINC001267119230 958899669 /nfs/dbraw/zinc/89/96/69/958899669.db2.gz ASAIYFXTUGVPOH-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)/C=C/C(C)(C)C ZINC001267123064 958915693 /nfs/dbraw/zinc/91/56/93/958915693.db2.gz OMXGTHWCTQPGAO-CRALRDPISA-N 1 0 238.375 2.259 20 30 BEEDRO COc1ccc(-n2cccc2C[NH3+])c(CC#N)c1 ZINC001167592801 958987435 /nfs/dbraw/zinc/98/74/35/958987435.db2.gz FLIXDUIJAQLTOJ-UHFFFAOYSA-N 1 0 241.294 2.011 20 30 BEEDRO N#Cc1c[nH]c2cc(-n3cccc3C[NH3+])ccc12 ZINC001167593617 958998309 /nfs/dbraw/zinc/99/83/09/958998309.db2.gz WAMBTRHLTRKNQX-UHFFFAOYSA-N 1 0 236.278 2.289 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CCCCC)C1 ZINC001207343132 959176333 /nfs/dbraw/zinc/17/63/33/959176333.db2.gz KEYILFPXPZAMPV-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CCNC1=O ZINC000693868716 959459498 /nfs/dbraw/zinc/45/94/98/959459498.db2.gz SHIJZXOWKDMAHV-NEPJUHHUSA-N 1 0 226.364 2.214 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000405576862 959463163 /nfs/dbraw/zinc/46/31/63/959463163.db2.gz FTGKHMJWOHFHLA-COPLHBTASA-N 1 0 230.311 2.071 20 30 BEEDRO CC[N@H+](C)Cc1ccc(OC)cc1C#N ZINC001137698189 959479057 /nfs/dbraw/zinc/47/90/57/959479057.db2.gz NEOROMVOLZXIJK-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)CC#N)CCO1 ZINC000308881507 959534193 /nfs/dbraw/zinc/53/41/93/959534193.db2.gz UNQXQKPOROWQSE-UTUOFQBUSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C(C)=C1CCCC1 ZINC001267361170 959535367 /nfs/dbraw/zinc/53/53/67/959535367.db2.gz VXOZKVDYSYZDOH-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C(C[NH+]1CCCCC1)ON=C1CCCOCC1 ZINC000588596042 959537341 /nfs/dbraw/zinc/53/73/41/959537341.db2.gz BGGTVARZBOOOTL-UHFFFAOYSA-N 1 0 240.347 2.045 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000308989287 959552781 /nfs/dbraw/zinc/55/27/81/959552781.db2.gz KRDNEOGLFUBRJL-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H](CC)CC(C)C ZINC001267452253 959665191 /nfs/dbraw/zinc/66/51/91/959665191.db2.gz GOHGFDHGSOOWRR-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C#C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217862404 959679351 /nfs/dbraw/zinc/67/93/51/959679351.db2.gz OQOVUODNEGIHLY-UKRRQHHQSA-N 1 0 229.323 2.377 20 30 BEEDRO C=CCn1cc(-c2cc(C[NH+](C)C)ccn2)cn1 ZINC001222382688 972450185 /nfs/dbraw/zinc/45/01/85/972450185.db2.gz NUUOENSSXFPMEA-UHFFFAOYSA-N 1 0 242.326 2.193 20 30 BEEDRO C=CCn1cc(-c2ccc(C[NH+](C)C)cn2)cn1 ZINC001222379047 972450207 /nfs/dbraw/zinc/45/02/07/972450207.db2.gz OIMBMXIWJYWGIR-UHFFFAOYSA-N 1 0 242.326 2.193 20 30 BEEDRO C=C[C@@H](CCC)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884735 959705434 /nfs/dbraw/zinc/70/54/34/959705434.db2.gz RUCYWGHNIXEHQS-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@@H](CCCC)OCCN1CC[NH2+]CC1 ZINC001217924186 959768840 /nfs/dbraw/zinc/76/88/40/959768840.db2.gz HRZRQYPYJCARJZ-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CCC1([NH2+]Cc2cnccn2)CCCC1 ZINC000690790153 959838139 /nfs/dbraw/zinc/83/81/39/959838139.db2.gz MUWPYBZEPFQGRA-UHFFFAOYSA-N 1 0 217.316 2.455 20 30 BEEDRO C=CC[NH2+]CCN1CCCC2(CCCC2)C1 ZINC001222401550 972461701 /nfs/dbraw/zinc/46/17/01/972461701.db2.gz VTFSMXVDFMXSIU-UHFFFAOYSA-N 1 0 222.376 2.418 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cnc2c(c1)CCCC2 ZINC001218207787 959890536 /nfs/dbraw/zinc/89/05/36/959890536.db2.gz UGNRYKVDSFLNBT-HNNXBMFYSA-N 1 0 244.338 2.257 20 30 BEEDRO C[Si](C)(C)C#Cn1nc(C[NH3+])c2ccccc21 ZINC001167697494 959930354 /nfs/dbraw/zinc/93/03/54/959930354.db2.gz BXSIVBQPTKLNTD-UHFFFAOYSA-N 1 0 243.386 2.181 20 30 BEEDRO CCCCCCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000694609040 959938264 /nfs/dbraw/zinc/93/82/64/959938264.db2.gz WXUPAMWZFPMWDQ-UHFFFAOYSA-N 1 0 238.375 2.297 20 30 BEEDRO C=CC[N@H+](CCNC(=O)[C@H]1CC=CCC1)C1CC1 ZINC001493349066 959957683 /nfs/dbraw/zinc/95/76/83/959957683.db2.gz POZNRGPDHSVMLW-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000168605873 960077213 /nfs/dbraw/zinc/07/72/13/960077213.db2.gz OCCRAVBIMLMUFX-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO CCC(C)(C)[C@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000695104693 960103661 /nfs/dbraw/zinc/10/36/61/960103661.db2.gz CDSBVAOLVVXUQU-QWRGUYRKSA-N 1 0 212.337 2.329 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)C(C)(C)F ZINC001481127785 960118166 /nfs/dbraw/zinc/11/81/66/960118166.db2.gz CHLOFPNBXTUVPU-UHFFFAOYSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)c1ccccc1C ZINC001481202666 960177431 /nfs/dbraw/zinc/17/74/31/960177431.db2.gz BIJFCVIXJHRPPD-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CCCCC(=O)NC1C[NH+](CCCC=C)C1 ZINC001267656924 960180289 /nfs/dbraw/zinc/18/02/89/960180289.db2.gz AIAHFLJJYHHLFB-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cncnc2C#N)cc1 ZINC001204632434 960197718 /nfs/dbraw/zinc/19/77/18/960197718.db2.gz ZNEDQYFSUYYFMG-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)CCCCCC)C1 ZINC001267698812 960213073 /nfs/dbraw/zinc/21/30/73/960213073.db2.gz PUHVUORHHZVTHO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H](C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001144020192 972488483 /nfs/dbraw/zinc/48/84/83/972488483.db2.gz BIZXUAOWGVTFBC-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)[C@H](C)CNC(=[NH2+])N1CCCCC1 ZINC000178580839 960234456 /nfs/dbraw/zinc/23/44/56/960234456.db2.gz HHPDNIPKGXJOAZ-LLVKDONJSA-N 1 0 211.353 2.079 20 30 BEEDRO C[NH2+]CCNc1cc(Cl)ccc1CC#N ZINC001167726656 960248095 /nfs/dbraw/zinc/24/80/95/960248095.db2.gz JKGUSSGBZYMQDA-UHFFFAOYSA-N 1 0 223.707 2.037 20 30 BEEDRO C=CC[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001144027769 972497750 /nfs/dbraw/zinc/49/77/50/972497750.db2.gz RLUIVONSUUZELN-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)C1(C)CC1 ZINC001267805375 960379992 /nfs/dbraw/zinc/37/99/92/960379992.db2.gz POXZXKOBSFGSFD-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@]1(C)C=CCC1 ZINC001267814557 960392356 /nfs/dbraw/zinc/39/23/56/960392356.db2.gz HDZVSICFJAXNGM-JSGCOSHPSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+]CC1(NC(=O)CCC)CCCC1 ZINC001267830981 960415144 /nfs/dbraw/zinc/41/51/44/960415144.db2.gz YPJLBUDDAMXXGE-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001144027766 972502031 /nfs/dbraw/zinc/50/20/31/972502031.db2.gz RLUIVONSUUZELN-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@@](C)(NC(=O)CC(C)C)C1CC1 ZINC001267846475 960432290 /nfs/dbraw/zinc/43/22/90/960432290.db2.gz JEVVMEAGHAWOBU-CQSZACIVSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695776341 960452650 /nfs/dbraw/zinc/45/26/50/960452650.db2.gz CTLMXBZSWSXWRJ-RYUDHWBXSA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CCOC1 ZINC000695777764 960454751 /nfs/dbraw/zinc/45/47/51/960454751.db2.gz ILCRLZWRLFMTFK-DGCLKSJQSA-N 1 0 224.348 2.331 20 30 BEEDRO CCN(CC)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695779532 960457072 /nfs/dbraw/zinc/45/70/72/960457072.db2.gz QATQMYDTLYLXDJ-LBPRGKRZSA-N 1 0 225.380 2.246 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001327226468 972506284 /nfs/dbraw/zinc/50/62/84/972506284.db2.gz ADSCJORXPPZRPA-NKVNRFPTSA-N 1 0 226.270 2.456 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000695836956 960499544 /nfs/dbraw/zinc/49/95/44/960499544.db2.gz PEAONOODLZXQTF-BZPMIXESSA-N 1 0 238.375 2.455 20 30 BEEDRO CCn1ccnc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000695833916 960501059 /nfs/dbraw/zinc/50/10/59/960501059.db2.gz ALDBBYHKJZFDPK-LLVKDONJSA-N 1 0 234.347 2.321 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(C)(C)O ZINC000695840783 960508912 /nfs/dbraw/zinc/50/89/12/960508912.db2.gz FGKBPHSDTSPMSR-QWRGUYRKSA-N 1 0 226.364 2.454 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](Cc1cc[nH]c1)CC2 ZINC001140704862 960512236 /nfs/dbraw/zinc/51/22/36/960512236.db2.gz LREZNOHEIPLWJV-UHFFFAOYSA-N 1 0 237.306 2.445 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)CC(C)(C)C ZINC001267977298 960651576 /nfs/dbraw/zinc/65/15/76/960651576.db2.gz JQBXKCBHLVOUFB-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)C[NH2+]C(C)C ZINC001268001392 960706749 /nfs/dbraw/zinc/70/67/49/960706749.db2.gz AZZRLCUUOHQKFA-OCCSQVGLSA-N 1 0 240.391 2.339 20 30 BEEDRO COC1(C[N@@H+]2CCC[C@@H](C#N)C2)CCCC1 ZINC000692808732 960727259 /nfs/dbraw/zinc/72/72/59/960727259.db2.gz SKRYLFIZAJUTSX-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C ZINC001268010257 960728191 /nfs/dbraw/zinc/72/81/91/960728191.db2.gz AJTATIYAQIMPAG-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CC1SCCS1 ZINC000692811296 960729309 /nfs/dbraw/zinc/72/93/09/960729309.db2.gz NBKJOTUOBNFDSU-UHFFFAOYSA-N 1 0 249.404 2.434 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001027040755 960737883 /nfs/dbraw/zinc/73/78/83/960737883.db2.gz IYAMZLDNCMNHRF-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccn3ccnc3c2)C1 ZINC001141046058 960832888 /nfs/dbraw/zinc/83/28/88/960832888.db2.gz KUCBPOHQXDMPEM-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CCCCCC(=O)N[C@H](C)C[NH+](CC)CC ZINC000692858032 960910673 /nfs/dbraw/zinc/91/06/73/960910673.db2.gz NNLYGFMJJGPAIC-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C=C1CCC1 ZINC001268057952 961106798 /nfs/dbraw/zinc/10/67/98/961106798.db2.gz UFHVSFNSWSBHBT-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000122276848 961108228 /nfs/dbraw/zinc/10/82/28/961108228.db2.gz IYGBNFOYLXNXSP-YPMHNXCESA-N 1 0 205.301 2.274 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000840839024 961215566 /nfs/dbraw/zinc/21/55/66/961215566.db2.gz WFSRBAGENZHCLO-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1[nH+]ccc(N[C@H]2CC[C@H](C#N)CC2)c1F ZINC001167844989 961250345 /nfs/dbraw/zinc/25/03/45/961250345.db2.gz FZDKJHZCYPTHBV-XYPYZODXSA-N 1 0 233.290 2.445 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001268123509 961258575 /nfs/dbraw/zinc/25/85/75/961258575.db2.gz KWHHCANKKDRPOP-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)CCCC)C(C)C ZINC001268202662 961409431 /nfs/dbraw/zinc/40/94/31/961409431.db2.gz HOBYVZOPHQFEKD-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)C1(C)CC1)C(C)C ZINC001268214203 961431371 /nfs/dbraw/zinc/43/13/71/961431371.db2.gz SVXHFZCVFYAXNI-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCn1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cn1 ZINC001139766789 961487827 /nfs/dbraw/zinc/48/78/27/961487827.db2.gz UWQKMUGGAMREOM-KBPBESRZSA-N 1 0 231.343 2.301 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2[nH]cnc21 ZINC001142690411 961632438 /nfs/dbraw/zinc/63/24/38/961632438.db2.gz UXUBUWBMRVTNDU-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)CC)C1 ZINC001481713124 961635175 /nfs/dbraw/zinc/63/51/75/961635175.db2.gz KSKZVLOJMBTHIF-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CC#CC[NH2+]CC[C@H](C)NC(=O)CCCCC ZINC001268346174 961641042 /nfs/dbraw/zinc/64/10/42/961641042.db2.gz PDOSEPGCKZZCOY-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)C12CCC[NH+](CCC1)C2 ZINC001344557515 961700645 /nfs/dbraw/zinc/70/06/45/961700645.db2.gz AHCNBYPPTBDLCO-CYBMUJFWSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccnc2[nH]ccc21 ZINC001142879618 961811828 /nfs/dbraw/zinc/81/18/28/961811828.db2.gz XMVSPRVEWAAQOP-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167912127 961820188 /nfs/dbraw/zinc/82/01/88/961820188.db2.gz HIOJNMQWMWGEIV-CRWXNKLISA-N 1 0 220.360 2.025 20 30 BEEDRO N#Cc1ccc(OCC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167911957 961820686 /nfs/dbraw/zinc/82/06/86/961820686.db2.gz FSNCNHPLNMVIOG-BTTYYORXSA-N 1 0 242.322 2.325 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)/C(C)=C\C ZINC001481800706 961831075 /nfs/dbraw/zinc/83/10/75/961831075.db2.gz KWVQADBDGJPBIX-MVXISAMASA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)CCC1CCC1 ZINC001481800165 961832172 /nfs/dbraw/zinc/83/21/72/961832172.db2.gz FMYSZDQWPJOREE-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO SC1CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001142962379 961858097 /nfs/dbraw/zinc/85/80/97/961858097.db2.gz YUIONKFQEUEQEB-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC)C1 ZINC001481963834 961886498 /nfs/dbraw/zinc/88/64/98/961886498.db2.gz NMYMSQXOKFLLMH-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCCC[N@H+](CC=C)CCOC ZINC000686685516 961961430 /nfs/dbraw/zinc/96/14/30/961961430.db2.gz JCUYYUCNMCLUSH-UHFFFAOYSA-N 1 0 209.333 2.314 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000843424663 962007279 /nfs/dbraw/zinc/00/72/79/962007279.db2.gz YEMWBFCMRWVEAD-GFCCVEGCSA-N 1 0 233.311 2.007 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)C[NH2+]CC(=C)C ZINC001482130348 962048140 /nfs/dbraw/zinc/04/81/40/962048140.db2.gz DEOSMORYQNZYIO-LBPRGKRZSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1cccc(C)c1C ZINC001149648857 962117855 /nfs/dbraw/zinc/11/78/55/962117855.db2.gz YSKBXYSOXMTQMB-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1ccc(C)c(C)c1 ZINC001149724270 962125872 /nfs/dbraw/zinc/12/58/72/962125872.db2.gz VNWRMFXAWRWFIY-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940063 962163552 /nfs/dbraw/zinc/16/35/52/962163552.db2.gz OWPGSISNNUWOOT-WUHRBBMRSA-N 1 0 204.317 2.411 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(C#N)nc2)C1 ZINC001225499079 962205466 /nfs/dbraw/zinc/20/54/66/962205466.db2.gz GPUJKRXAKKHADB-AWEZNQCLSA-N 1 0 245.326 2.205 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)C(C)(C)C ZINC001268616285 962209893 /nfs/dbraw/zinc/20/98/93/962209893.db2.gz LNIPZKUCWQTARV-HJWRWDBZSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1CCC=CCC1 ZINC001151286478 962261171 /nfs/dbraw/zinc/26/11/71/962261171.db2.gz PNBNJJUXWMKSGC-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H](F)C(C)C ZINC001268700134 962293482 /nfs/dbraw/zinc/29/34/82/962293482.db2.gz XAHSYROAGXNCDA-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001268698883 962293502 /nfs/dbraw/zinc/29/35/02/962293502.db2.gz AMIOUOPXRNIVSE-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)CC(C)C ZINC001268774404 962339636 /nfs/dbraw/zinc/33/96/36/962339636.db2.gz CKOYQUJSYXJSDA-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[C@@H](C(=O)NCC[NH2+]CC)c1ccccc1 ZINC001151842358 962347242 /nfs/dbraw/zinc/34/72/42/962347242.db2.gz HYHCSVTXSRZHBE-CQSZACIVSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)C(C)(C)C=C ZINC001268812207 962350662 /nfs/dbraw/zinc/35/06/62/962350662.db2.gz SJGWSKCBUHPUAD-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCC1CC1 ZINC001152484403 962432900 /nfs/dbraw/zinc/43/29/00/962432900.db2.gz WXNNUAHAXTUKRV-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@H](C)C1CC1 ZINC001152589685 962459490 /nfs/dbraw/zinc/45/94/90/962459490.db2.gz JGZWWYUCQVMYBL-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](CCC)CC(C)C ZINC001152876789 962490921 /nfs/dbraw/zinc/49/09/21/962490921.db2.gz QBMHDXGCVKUYAE-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCN1CC[C@H]1CNC(=O)C=C1CCCCC1 ZINC001269205123 962539783 /nfs/dbraw/zinc/53/97/83/962539783.db2.gz ISGMSURBPHEYGV-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001269268943 962579929 /nfs/dbraw/zinc/57/99/29/962579929.db2.gz RNSDQQZCDPHREK-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH+](CC)CC ZINC001153625640 962608578 /nfs/dbraw/zinc/60/85/78/962608578.db2.gz BJIPKKCIZYDSAF-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CO1 ZINC000711130146 962617131 /nfs/dbraw/zinc/61/71/31/962617131.db2.gz PFCNOVSGPNJPLM-NXEZZACHSA-N 1 0 236.340 2.277 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)[C@@H](C)CCC)CC1 ZINC001269388446 962645377 /nfs/dbraw/zinc/64/53/77/962645377.db2.gz MZEKNJLKGGSGFR-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](CF)C2)ccn1 ZINC000711419724 962700825 /nfs/dbraw/zinc/70/08/25/962700825.db2.gz KJCWKCFNBKXYMM-LBPRGKRZSA-N 1 0 233.290 2.135 20 30 BEEDRO CCCCC[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668556 1169811798 /nfs/dbraw/zinc/81/17/98/1169811798.db2.gz ITILCRXBMJAIMX-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC(C)(C)C ZINC001154667160 962829583 /nfs/dbraw/zinc/82/95/83/962829583.db2.gz LRXDCHKEXBRUDT-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@H](C)CC ZINC001154781833 962847162 /nfs/dbraw/zinc/84/71/62/962847162.db2.gz OJGCMHCQDBEYOF-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(C#N)c1 ZINC001225825806 962855570 /nfs/dbraw/zinc/85/55/70/962855570.db2.gz XIMFMQQMQNMQFU-SNVBAGLBSA-N 1 0 237.298 2.171 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCC1CC1 ZINC001482266979 962871560 /nfs/dbraw/zinc/87/15/60/962871560.db2.gz VJVCDGBDLMGXOM-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CCC ZINC001482268386 962882484 /nfs/dbraw/zinc/88/24/84/962882484.db2.gz XWEIDVQZSPKACY-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC)C1 ZINC001270529713 962998599 /nfs/dbraw/zinc/99/85/99/962998599.db2.gz MQTYTIZKORXJLB-TZMCWYRMSA-N 1 0 238.375 2.332 20 30 BEEDRO Cc1nc(C#N)cnc1NC(=N)C(C)(C)C ZINC001155179708 963001618 /nfs/dbraw/zinc/00/16/18/963001618.db2.gz CRKOUPSCCZRJSC-UHFFFAOYSA-N 1 0 217.276 2.092 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C=C(\C)C1CC1 ZINC001155199943 963024578 /nfs/dbraw/zinc/02/45/78/963024578.db2.gz OHTYFQMDWBSYJS-VAWYXSNFSA-N 1 0 236.359 2.015 20 30 BEEDRO CCN1CCC([N@H+](C)[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254669350 1169818076 /nfs/dbraw/zinc/81/80/76/1169818076.db2.gz RINXBGDARFUTBA-GXTWGEPZSA-N 1 0 235.375 2.095 20 30 BEEDRO C#CC1(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC2CC2)CC1 ZINC001167971230 963047977 /nfs/dbraw/zinc/04/79/77/963047977.db2.gz UEPPCZPALNXKJN-GOOCMWNKSA-N 1 0 244.382 2.147 20 30 BEEDRO CC[NH+](CC)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670024 1169819586 /nfs/dbraw/zinc/81/95/86/1169819586.db2.gz YBOHZSDLVMNQJP-HIFRSBDPSA-N 1 0 249.402 2.485 20 30 BEEDRO CN(CCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167982118 963065949 /nfs/dbraw/zinc/06/59/49/963065949.db2.gz XLQZQOAKCJZGKV-YIONKMFJSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)/C(C)=C/CC ZINC001270905285 963275199 /nfs/dbraw/zinc/27/51/99/963275199.db2.gz QVQVITCUDPERQA-SRXBQZRASA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C(C)C)CC1 ZINC001307471977 963291508 /nfs/dbraw/zinc/29/15/08/963291508.db2.gz KMSCGROJQWBOGC-ZDUSSCGKSA-N 1 0 239.359 2.472 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001156300148 963306082 /nfs/dbraw/zinc/30/60/82/963306082.db2.gz IHAFABBIFLHLGN-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1ccc(C#N)c(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001226752810 963331528 /nfs/dbraw/zinc/33/15/28/963331528.db2.gz BDGUZVILGFUDHW-OAHLLOKOSA-N 1 0 242.322 2.340 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C(F)=C(C)C ZINC001156498642 963372102 /nfs/dbraw/zinc/37/21/02/963372102.db2.gz QPQRRHXEHFHFFV-UHFFFAOYSA-N 1 0 248.729 2.098 20 30 BEEDRO C=CCC[NH2+]Cc1cn2ccnc2s1 ZINC000895330215 963412943 /nfs/dbraw/zinc/41/29/43/963412943.db2.gz MKRIFGPJFAYASF-UHFFFAOYSA-N 1 0 207.302 2.062 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CC2)C1 ZINC000895562445 963434101 /nfs/dbraw/zinc/43/41/01/963434101.db2.gz GLUVSSPJXJKOKA-LBPRGKRZSA-N 1 0 243.354 2.143 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000895562515 963434723 /nfs/dbraw/zinc/43/47/23/963434723.db2.gz IOMNDHGGGVRZOG-NSHDSACASA-N 1 0 245.351 2.241 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895563213 963435111 /nfs/dbraw/zinc/43/51/11/963435111.db2.gz XCKVCOGEHKDWMI-CYBMUJFWSA-N 1 0 243.354 2.453 20 30 BEEDRO C#CCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001205012116 963509926 /nfs/dbraw/zinc/50/99/26/963509926.db2.gz HOUAOWZJEGDLCY-AWEZNQCLSA-N 1 0 247.313 2.440 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccc(CC#N)cc1 ZINC000714004059 963572132 /nfs/dbraw/zinc/57/21/32/963572132.db2.gz XOVJTHQVYVONAS-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C=C(C)C(=O)OCCNc1cc(C)cc(C)[nH+]1 ZINC001157301263 963573962 /nfs/dbraw/zinc/57/39/62/963573962.db2.gz BCVAGZAHFGDKJV-UHFFFAOYSA-N 1 0 234.299 2.230 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000320634004 963582727 /nfs/dbraw/zinc/58/27/27/963582727.db2.gz LDUPYBSRIJGIJI-CQSZACIVSA-N 1 0 248.370 2.169 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H]1CCCCN1C(=O)CC ZINC001157377188 963587864 /nfs/dbraw/zinc/58/78/64/963587864.db2.gz MWIDHLVKLBBGIO-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C(=O)OCCNc1[nH+]ccc(C)c1C ZINC001168071040 963598668 /nfs/dbraw/zinc/59/86/68/963598668.db2.gz WUJVVRJPZQSQDM-UHFFFAOYSA-N 1 0 234.299 2.230 20 30 BEEDRO CSCCCNC(=[NH2+])Nc1ccc(C)cc1 ZINC000304758183 963613365 /nfs/dbraw/zinc/61/33/65/963613365.db2.gz PRAOTGWNALMTBZ-UHFFFAOYSA-N 1 0 237.372 2.475 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CNC(=O)C(C)C)C(C)C ZINC001482515136 963618867 /nfs/dbraw/zinc/61/88/67/963618867.db2.gz ZXZXCUYYKIZNNY-CYBMUJFWSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C1CCCC1)C(C)C ZINC001271797470 963639766 /nfs/dbraw/zinc/63/97/66/963639766.db2.gz ATLUWNLUINOVHG-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCC1([NH2+]Cc2cnn(C)c2C2CC2)CCC1 ZINC000897350755 963672670 /nfs/dbraw/zinc/67/26/70/963672670.db2.gz KXCVECKBAQFPRB-UHFFFAOYSA-N 1 0 243.354 2.333 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCO[C@H](C)C2)N=N1 ZINC001168107721 963738342 /nfs/dbraw/zinc/73/83/42/963738342.db2.gz XWCRWTXLXCSRPS-NEPJUHHUSA-N 1 0 235.331 2.109 20 30 BEEDRO CCc1cc(CN2CC[C@@](C)([NH3+])C2)ccc1C#N ZINC001204808331 963776297 /nfs/dbraw/zinc/77/62/97/963776297.db2.gz ARIACQHCBUEIBW-OAHLLOKOSA-N 1 0 243.354 2.044 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H]1CCO[C@H](C)C1 ZINC001168129503 963808252 /nfs/dbraw/zinc/80/82/52/963808252.db2.gz YNKYRCRVRQQAPL-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001158742776 963913572 /nfs/dbraw/zinc/91/35/72/963913572.db2.gz KXKAXADAVYKQCO-AWEZNQCLSA-N 1 0 240.310 2.481 20 30 BEEDRO Cc1ccnc(NC(C)(C)CC[NH+](C)C)c1C#N ZINC001158753802 963914330 /nfs/dbraw/zinc/91/43/30/963914330.db2.gz JJIPNYJVJXZJEO-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CCC(C)C ZINC001159040155 963979731 /nfs/dbraw/zinc/97/97/31/963979731.db2.gz JFSXFHKCOFTMIO-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]C/C=C\Cl ZINC001159040332 963980251 /nfs/dbraw/zinc/98/02/51/963980251.db2.gz NSNTYZUFSNHRQH-CLTKARDFSA-N 1 0 244.766 2.191 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]CCCC#N)C2 ZINC001168240690 964043829 /nfs/dbraw/zinc/04/38/29/964043829.db2.gz BRWZXGUNOACEBO-CYBMUJFWSA-N 1 0 230.311 2.056 20 30 BEEDRO C=C(C)Nc1cccnc1OCC1CC[NH2+]CC1 ZINC001159289594 964049329 /nfs/dbraw/zinc/04/93/29/964049329.db2.gz FMHSKHHNUVIKDG-UHFFFAOYSA-N 1 0 247.342 2.406 20 30 BEEDRO Nc1cccc(NCC#Cc2ccccc2)[nH+]1 ZINC001159372958 964069591 /nfs/dbraw/zinc/06/95/91/964069591.db2.gz DHLZMMJDESLFFN-UHFFFAOYSA-N 1 0 223.279 2.127 20 30 BEEDRO Cc1c[nH+]c(NCC#Cc2ccccc2)c(N)c1 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/nfs/dbraw/zinc/54/35/71/965543571.db2.gz GLODCGAPOSMBIV-VHDGCEQUSA-N 1 0 244.338 2.139 20 30 BEEDRO C=C(C)c1ccc(N[C@H](C)C[NH+](C)C)nc1 ZINC001163778680 965586299 /nfs/dbraw/zinc/58/62/99/965586299.db2.gz KBWIJPUQNGECQB-LLVKDONJSA-N 1 0 219.332 2.477 20 30 BEEDRO Cc1cc(CC#N)ccc1N[C@@H](C)C[NH+](C)C ZINC001163783035 965588987 /nfs/dbraw/zinc/58/89/87/965588987.db2.gz XIXCLUXRFWRNOS-LBPRGKRZSA-N 1 0 231.343 2.423 20 30 BEEDRO C/C(=N\O)c1ccc(N[C@H](C)C[NH+](C)C)cc1 ZINC001163787110 965589328 /nfs/dbraw/zinc/58/93/28/965589328.db2.gz YKISUQVDWPFAGD-YMQUWAGYSA-N 1 0 235.331 2.247 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C(C)(C)C=C ZINC001163957448 965658544 /nfs/dbraw/zinc/65/85/44/965658544.db2.gz KMLPYLXNHNFRJR-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)/C=C/C2CC2)CC1 ZINC001163958517 965661811 /nfs/dbraw/zinc/66/18/11/965661811.db2.gz JBEMIUBQUNSRCM-AATRIKPKSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]C/C=C\Cl ZINC001163964161 965664392 /nfs/dbraw/zinc/66/43/92/965664392.db2.gz RFMUSRAXXGYRAU-ALCCZGGFSA-N 1 0 244.766 2.047 20 30 BEEDRO Cc1cc(C[NH3+])nn1-c1ccc(CS)cc1 ZINC001163985851 965680874 /nfs/dbraw/zinc/68/08/74/965680874.db2.gz GNWFENACKHDKRB-UHFFFAOYSA-N 1 0 233.340 2.069 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC001203450347 965705851 /nfs/dbraw/zinc/70/58/51/965705851.db2.gz WXULRDXDZUICPS-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CN(CCCC[NH+](C)C)c1cccc(F)c1C#N ZINC001164046219 965711942 /nfs/dbraw/zinc/71/19/42/965711942.db2.gz CUXNHKFXJCISDS-UHFFFAOYSA-N 1 0 249.333 2.475 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C/C=C(/C)C=C ZINC001164116719 965743934 /nfs/dbraw/zinc/74/39/34/965743934.db2.gz PQRGKDQADVVASO-JYRVWZFOSA-N 1 0 236.359 2.181 20 30 BEEDRO Cc1cccc(N(CCC[NH3+])C(C)C)c1C#N ZINC001164122983 965746358 /nfs/dbraw/zinc/74/63/58/965746358.db2.gz USXXQQJSNNFAIK-UHFFFAOYSA-N 1 0 231.343 2.430 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122100471 965767769 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/nfs/dbraw/zinc/88/42/33/1169884233.db2.gz KWKUNDYZFYSTGX-CQSZACIVSA-N 1 0 235.327 2.284 20 30 BEEDRO CCN(CC[NH+](C)C)Cc1ccccc1CC#N ZINC001235511025 966078064 /nfs/dbraw/zinc/07/80/64/966078064.db2.gz FEYDHUVYRHEIAD-UHFFFAOYSA-N 1 0 245.370 2.136 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000699780885 966080424 /nfs/dbraw/zinc/08/04/24/966080424.db2.gz CTVJYSLHZFOKQL-RISCZKNCSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCCC=C ZINC001165531214 966116415 /nfs/dbraw/zinc/11/64/15/966116415.db2.gz RKLPRFHFDJRTLK-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CCC1CC1 ZINC001165531754 966120657 /nfs/dbraw/zinc/12/06/57/966120657.db2.gz XHUDUYIEKSFUMK-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC001203138720 966133418 /nfs/dbraw/zinc/13/34/18/966133418.db2.gz XHDQDSCERRTCTE-NSHDSACASA-N 1 0 241.294 2.068 20 30 BEEDRO C#C[C@H]1CCC[C@@H]1OCC[NH+]1CCCCC1 ZINC001206709506 966160324 /nfs/dbraw/zinc/16/03/24/966160324.db2.gz MYCVZNDFDMIRBY-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000699883827 966160562 /nfs/dbraw/zinc/16/05/62/966160562.db2.gz GADAPRGTUYUGMW-CABCVRRESA-N 1 0 244.338 2.267 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC=CCC1 ZINC001123388062 966165482 /nfs/dbraw/zinc/16/54/82/966165482.db2.gz QTVBYNDZMQYODS-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C[C@H]1C[C@H]1C ZINC001165884163 966186828 /nfs/dbraw/zinc/18/68/28/966186828.db2.gz CACVCEAZZSFTIZ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H]1CC ZINC001166024915 966231057 /nfs/dbraw/zinc/23/10/57/966231057.db2.gz HLOGZVKKONWLJE-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001166045838 966240672 /nfs/dbraw/zinc/24/06/72/966240672.db2.gz DIUCRVIHOPOCDF-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(NC/C=C/c1ccccc1)=[NH+]COC ZINC001166065328 966241165 /nfs/dbraw/zinc/24/11/65/966241165.db2.gz JXHUHSVTMITNFD-JXMROGBWSA-N 1 0 230.311 2.478 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC1(C[NH2+]CC)CC1 ZINC001166589022 966309072 /nfs/dbraw/zinc/30/90/72/966309072.db2.gz OEFGGKMQFLFXAX-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@@H](C)[C@@H](C)CC)CC1 ZINC001483778667 966379801 /nfs/dbraw/zinc/37/98/01/966379801.db2.gz KWCYMVCBHDKPTO-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236412080 966409669 /nfs/dbraw/zinc/40/96/69/966409669.db2.gz QDMUFKSGDMIYMY-WCVJEAGWSA-N 1 0 246.398 2.439 20 30 BEEDRO Cc1cnc(CON=C(N)C2CCCC2)s1 ZINC000179897983 966426718 /nfs/dbraw/zinc/42/67/18/966426718.db2.gz IIUAKVWVPRLUBN-UHFFFAOYSA-N 1 0 239.344 2.431 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC)C1 ZINC001484330117 966456340 /nfs/dbraw/zinc/45/63/40/966456340.db2.gz CFCPUROPMIMKPM-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCC)C1 ZINC001484330112 966457164 /nfs/dbraw/zinc/45/71/64/966457164.db2.gz CFCPUROPMIMKPM-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(C#N)c1 ZINC001236580496 966460901 /nfs/dbraw/zinc/46/09/01/966460901.db2.gz RKFRUHMWTBKLED-STQMWFEESA-N 1 0 243.354 2.049 20 30 BEEDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(C#N)c1 ZINC001236580491 966461136 /nfs/dbraw/zinc/46/11/36/966461136.db2.gz RKFRUHMWTBKLED-BETUJISGSA-N 1 0 243.354 2.049 20 30 BEEDRO C=CC1(CC(=O)N[C@@H](C)[C@H](C)[NH3+])CCCCC1 ZINC001521547172 966472530 /nfs/dbraw/zinc/47/25/30/966472530.db2.gz RLETYXOJJUTDEL-RYUDHWBXSA-N 1 0 238.375 2.365 20 30 BEEDRO C#C[C@@H]1CCCN(c2cc(OCC)cc[nH+]2)C1 ZINC001167005199 966516182 /nfs/dbraw/zinc/51/61/82/966516182.db2.gz HDEPRWQFBXFULP-GFCCVEGCSA-N 1 0 230.311 2.330 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C1CC1 ZINC001484997224 966528550 /nfs/dbraw/zinc/52/85/50/966528550.db2.gz LVXZDWIEIXIDSR-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)/C(C)=C/CC ZINC001484989958 966529144 /nfs/dbraw/zinc/52/91/44/966529144.db2.gz ZUOKAAZDEKVBHB-WHGQRRHOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C/C=C(\C)C=C)C1 ZINC001485100255 966539498 /nfs/dbraw/zinc/53/94/98/966539498.db2.gz XXHHHYVXAXJJBG-WUXMJOGZSA-N 1 0 248.370 2.179 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)F ZINC001485114079 966543711 /nfs/dbraw/zinc/54/37/11/966543711.db2.gz LMPNRXJKHTZCBU-MNOVXSKESA-N 1 0 244.354 2.184 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC(C)C ZINC001485121975 966550437 /nfs/dbraw/zinc/55/04/37/966550437.db2.gz USWUFNGFTCOYMZ-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C=C ZINC001485338757 966590458 /nfs/dbraw/zinc/59/04/58/966590458.db2.gz PXYALKRJDJGQRQ-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCOc1ccc(CN(C)C[C@@H]([NH3+])CC)cc1 ZINC001236866176 966599145 /nfs/dbraw/zinc/59/91/45/966599145.db2.gz VQIKGNOIXMERBZ-AWEZNQCLSA-N 1 0 248.370 2.421 20 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30 BEEDRO N#Cc1ccc(C[NH+]2CC3(CSC3)C2)cc1 ZINC001203906275 966817288 /nfs/dbraw/zinc/81/72/88/966817288.db2.gz LVNCLOVQCBYXIU-UHFFFAOYSA-N 1 0 230.336 2.107 20 30 BEEDRO CCCCCCCOC(=O)N[C@@H]1CC[NH2+][C@@H]1C ZINC001239317337 966849833 /nfs/dbraw/zinc/84/98/33/966849833.db2.gz WMIVWXRJHHWBHL-VXGBXAGGSA-N 1 0 242.363 2.433 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001204027635 966857588 /nfs/dbraw/zinc/85/75/88/966857588.db2.gz KSJIXSLBQLRGLT-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO CCC1(Nc2ccc(CC#N)c(C)c2)C[NH2+]C1 ZINC001168582190 966921105 /nfs/dbraw/zinc/92/11/05/966921105.db2.gz KCJPUWOOLWZZQN-UHFFFAOYSA-N 1 0 229.327 2.225 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)CC(C)C)CC1 ZINC001204317810 966968906 /nfs/dbraw/zinc/96/89/06/966968906.db2.gz ATZTUWIDQUPUAK-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)CC ZINC001168617511 967061466 /nfs/dbraw/zinc/06/14/66/967061466.db2.gz LJWATMHLMSOWJU-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cc(C#N)cnn2)cc1 ZINC001204625959 967102893 /nfs/dbraw/zinc/10/28/93/967102893.db2.gz RNRSFAHDRYCXEP-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO COc1ccc(CN2CCC(C#N)CC2)nc1C ZINC001249892176 967131233 /nfs/dbraw/zinc/13/12/33/967131233.db2.gz MPSPZGHAWGKTIO-UHFFFAOYSA-N 1 0 245.326 2.134 20 30 BEEDRO C#Cc1cc(Nc2cc(C)ccc2C#N)ccn1 ZINC001249895433 967133587 /nfs/dbraw/zinc/13/35/87/967133587.db2.gz ZAOBJQVOCOADHA-UHFFFAOYSA-N 1 0 233.274 2.409 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001204783622 967165944 /nfs/dbraw/zinc/16/59/44/967165944.db2.gz VFJPIUNRPWDEDK-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001204791678 967171694 /nfs/dbraw/zinc/17/16/94/967171694.db2.gz RGZJEBGBTYOQGE-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001204800478 967177976 /nfs/dbraw/zinc/17/79/76/967177976.db2.gz DKDTZTKTNOTFFY-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715561484 967182597 /nfs/dbraw/zinc/18/25/97/967182597.db2.gz LFNOFHPRGWRZIJ-FRRDWIJNSA-N 1 0 223.364 2.141 20 30 BEEDRO CCCCCCCCCN1C[C@H](O)C[C@H]([NH3+])C1 ZINC001204958020 967256759 /nfs/dbraw/zinc/25/67/59/967256759.db2.gz UYHZLLNKXMCBNA-UONOGXRCSA-N 1 0 242.407 2.131 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC(C)([NH3+])C2)CC1 ZINC001204965763 967265910 /nfs/dbraw/zinc/26/59/10/967265910.db2.gz LSNRODFCUTYBDG-CYBMUJFWSA-N 1 0 220.360 2.322 20 30 BEEDRO CCN1C[C@@H](C)[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921832944 967279000 /nfs/dbraw/zinc/27/90/00/967279000.db2.gz QMLSIMVQOARVPV-ZWNOBZJWSA-N 1 0 249.383 2.050 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CC(C)(C)C ZINC001485850431 967294072 /nfs/dbraw/zinc/29/40/72/967294072.db2.gz VCESPOINOIBSFC-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CC(C)C ZINC001485842074 967302973 /nfs/dbraw/zinc/30/29/73/967302973.db2.gz KASANVKLSMDKRH-NSHDSACASA-N 1 0 246.782 2.222 20 30 BEEDRO Cc1cc(Cc2ccccc2C#N)c[nH+]c1N ZINC001250047651 967306029 /nfs/dbraw/zinc/30/60/29/967306029.db2.gz QSKPSMPOLOULHB-UHFFFAOYSA-N 1 0 223.279 2.435 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C(C)(C)C(C)C ZINC001128158857 967340010 /nfs/dbraw/zinc/34/00/10/967340010.db2.gz XJSLELGLQKSHMO-UHFFFAOYSA-N 1 0 246.782 2.127 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC001313442110 1169903996 /nfs/dbraw/zinc/90/39/96/1169903996.db2.gz JDFYFUXZVFLQDW-UHFFFAOYSA-N 1 0 248.326 2.004 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CCC(C)C ZINC001128259328 967450207 /nfs/dbraw/zinc/45/02/07/967450207.db2.gz ZBZMEWBHQULHFA-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C[NH+](C)CCc1cccc(Cl)c1C#N ZINC001250162048 967456497 /nfs/dbraw/zinc/45/64/97/967456497.db2.gz JKJIZYRCZDARLG-UHFFFAOYSA-N 1 0 208.692 2.316 20 30 BEEDRO Cc1cc(C#N)ccc1CCC[NH+](C)C ZINC001250164295 967459958 /nfs/dbraw/zinc/45/99/58/967459958.db2.gz IJMITVSHLOGPMI-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO C=CCC[N@H+](CCNC(=O)c1ccco1)C1CC1 ZINC001317546012 1169908024 /nfs/dbraw/zinc/90/80/24/1169908024.db2.gz XGEUWNBBIOBGBU-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CCCC(C)C ZINC001128409255 967547133 /nfs/dbraw/zinc/54/71/33/967547133.db2.gz ZQIODJGIXANPCT-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)CC1CCCC1 ZINC001205526914 967657903 /nfs/dbraw/zinc/65/79/03/967657903.db2.gz MHWYXUZCSRNZSE-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C[C@H](C)CC)CCC1 ZINC001273068328 967696702 /nfs/dbraw/zinc/69/67/02/967696702.db2.gz IGHJDYSKDOKPOB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO N#Cc1cccc(Nc2ccc3c[nH+]cn3c2)n1 ZINC001250327304 967710254 /nfs/dbraw/zinc/71/02/54/967710254.db2.gz PNIDDDKXLNRTCT-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C#CCCC[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168746172 967723398 /nfs/dbraw/zinc/72/33/98/967723398.db2.gz XZDNOCKLZVCQBL-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695790043 967807772 /nfs/dbraw/zinc/80/77/72/967807772.db2.gz ZBGCEJPIWHLYOH-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C[N@H+](Cc1cc(F)cc(C#N)c1)C1CCOCC1 ZINC000163551682 967810985 /nfs/dbraw/zinc/81/09/85/967810985.db2.gz AJGJOEFENQZINA-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000695834286 967815208 /nfs/dbraw/zinc/81/52/08/967815208.db2.gz BJTGARPZYIIOCL-DDHJBXDOSA-N 1 0 224.348 2.470 20 30 BEEDRO C#Cc1ccc(CN2C[C@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205831071 967842672 /nfs/dbraw/zinc/84/26/72/967842672.db2.gz WEZHZHNVCQESLI-CJNGLKHVSA-N 1 0 242.366 2.227 20 30 BEEDRO COC(=O)C1(C)CCC([NH2+][C@@H](C)CC#N)CC1 ZINC001168761376 967960200 /nfs/dbraw/zinc/96/02/00/967960200.db2.gz BYBVXCJCYJGZKM-ZBOXLXRLSA-N 1 0 238.331 2.000 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc2c(c(OC)c1)OCC=C2 ZINC001250512880 968008303 /nfs/dbraw/zinc/00/83/03/968008303.db2.gz QCKFYJGZIDDOAZ-UHFFFAOYSA-N 1 0 243.306 2.166 20 30 BEEDRO C=CCCCCCN1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001206117501 968067429 /nfs/dbraw/zinc/06/74/29/968067429.db2.gz PSCTZZJFLCMJOT-NSHDSACASA-N 1 0 232.318 2.401 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2C=CCC2)cc1C#N ZINC000698306839 968173898 /nfs/dbraw/zinc/17/38/98/968173898.db2.gz MCFBFYUUWHNHMB-CYBMUJFWSA-N 1 0 228.295 2.375 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[NH2+]C[C@@H]1C ZINC001206257655 968174999 /nfs/dbraw/zinc/17/49/99/968174999.db2.gz GMAAMIRSVHXHOI-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)NCCC[NH2+]CC(C)C ZINC001164234364 968197144 /nfs/dbraw/zinc/19/71/44/968197144.db2.gz WDKLRAJTFDMFGH-STQMWFEESA-N 1 0 240.391 2.197 20 30 BEEDRO COc1cccc([C@@H](O)C[NH2+]CCCCC#N)c1 ZINC001250729527 968199735 /nfs/dbraw/zinc/19/97/35/968199735.db2.gz GWWCYIVZSDXNCZ-AWEZNQCLSA-N 1 0 248.326 2.012 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082722905 968266530 /nfs/dbraw/zinc/26/65/30/968266530.db2.gz NCJRDDCGYFNFEX-BZPMIXESSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001206408637 968285475 /nfs/dbraw/zinc/28/54/75/968285475.db2.gz DPGKIHRTYPMVDM-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ncccc2F)C1 ZINC001206411560 968286496 /nfs/dbraw/zinc/28/64/96/968286496.db2.gz WSZIYTZSPFFADK-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C=CCC2)c1 ZINC000698327467 968326486 /nfs/dbraw/zinc/32/64/86/968326486.db2.gz LUVXCKCUVUFISX-JTQLQIEISA-N 1 0 204.298 2.428 20 30 BEEDRO Cc1nsc(Nc2cc[nH+]c(N)c2)c1C#N ZINC001206522714 968354642 /nfs/dbraw/zinc/35/46/42/968354642.db2.gz XEDBVWNGNURCRU-UHFFFAOYSA-N 1 0 231.284 2.044 20 30 BEEDRO COc1ccc(C#N)c(Nc2cc[nH+]c(N)c2)c1 ZINC001206562100 968388777 /nfs/dbraw/zinc/38/87/77/968388777.db2.gz YJGQFNOXGVQNAG-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO C[C@H](O)C[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001251963377 968403865 /nfs/dbraw/zinc/40/38/65/968403865.db2.gz SQDCLFUCTHKLCU-AWEZNQCLSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001206687396 968432207 /nfs/dbraw/zinc/43/22/07/968432207.db2.gz WQPVDPSZNUPYBU-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)C(C)=C1CCC1 ZINC001320733622 1169919409 /nfs/dbraw/zinc/91/94/09/1169919409.db2.gz QAKOEAPAHLEEGQ-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO N#C[C@H]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206700865 968437225 /nfs/dbraw/zinc/43/72/25/968437225.db2.gz IFTHYDAFVGALGS-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCn1cc(C[NH2+]CCCCC(C)C)nn1 ZINC001119972378 968489349 /nfs/dbraw/zinc/48/93/49/968489349.db2.gz VVCKPHBCDAHPSL-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000164131375 968509301 /nfs/dbraw/zinc/50/93/01/968509301.db2.gz ZHXCYWPXTNASAZ-VIFPVBQESA-N 1 0 225.361 2.263 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)CC)C1 ZINC001206982935 968528095 /nfs/dbraw/zinc/52/80/95/968528095.db2.gz ZECNDXKXIKCAKJ-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC001207090511 968622280 /nfs/dbraw/zinc/62/22/80/968622280.db2.gz IGGGQUCYDSEKNH-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC1(c2ccnc(C3=CCC[NH2+]C3)c2)CC1 ZINC001240656887 968624510 /nfs/dbraw/zinc/62/45/10/968624510.db2.gz MTNIAEXQPLGWRX-UHFFFAOYSA-N 1 0 225.295 2.013 20 30 BEEDRO N#Cc1ccc(C2=CCC[NH2+]C2)c2cc[nH]c21 ZINC001240669115 968635006 /nfs/dbraw/zinc/63/50/06/968635006.db2.gz IUJKOBRUHZHAON-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@@H](C)CC ZINC001154788500 968665283 /nfs/dbraw/zinc/66/52/83/968665283.db2.gz CMVXUAYNJKARRD-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)c1nc(C2CC[NH2+]CC2)cc2nc[nH]c21 ZINC001240831005 968721625 /nfs/dbraw/zinc/72/16/25/968721625.db2.gz NSJPOVFGZYLMHJ-UHFFFAOYSA-N 1 0 242.326 2.458 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001252472698 968730830 /nfs/dbraw/zinc/73/08/30/968730830.db2.gz XSZLERSVTXPBDV-IHRRRGAJSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001207363258 968740567 /nfs/dbraw/zinc/74/05/67/968740567.db2.gz MUYQCZKSGIKYOE-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC001252485264 968743746 /nfs/dbraw/zinc/74/37/46/968743746.db2.gz IWCMWPHDSRPGFD-UKRRQHHQSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC001252488505 968745143 /nfs/dbraw/zinc/74/51/43/968745143.db2.gz OKYSNCAKAWJBMY-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C(C)(C)CCCCC ZINC001252487482 968747386 /nfs/dbraw/zinc/74/73/86/968747386.db2.gz UHVQPQMCKIITKK-ZDUSSCGKSA-N 1 0 243.391 2.498 20 30 BEEDRO C=C(C)c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1 ZINC001240834478 968747850 /nfs/dbraw/zinc/74/78/50/968747850.db2.gz AALQWNKTVBBARO-LLVKDONJSA-N 1 0 228.299 2.187 20 30 BEEDRO C=C(C)c1ccc2c(c1)C1(CC[NH2+]CC1)C(=O)N2 ZINC001240835365 968749142 /nfs/dbraw/zinc/74/91/42/968749142.db2.gz XLPQCIMCRBCSCP-UHFFFAOYSA-N 1 0 242.322 2.293 20 30 BEEDRO C=C(C)c1ccc(OCCC[NH+](C)C)nc1 ZINC001240836683 968753791 /nfs/dbraw/zinc/75/37/91/968753791.db2.gz XDTOIRISTLVOLZ-UHFFFAOYSA-N 1 0 220.316 2.445 20 30 BEEDRO C=C(C)c1cccc(C(=O)N2CCC([NH3+])CC2)c1 ZINC001240836704 968753972 /nfs/dbraw/zinc/75/39/72/968753972.db2.gz YCTGSFDDCKQMGK-UHFFFAOYSA-N 1 0 244.338 2.283 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](CC)CCCC ZINC001154917792 968758651 /nfs/dbraw/zinc/75/86/51/968758651.db2.gz YCQZDESCBBZZBO-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001252540767 968773102 /nfs/dbraw/zinc/77/31/02/968773102.db2.gz AHONNCBDLXEGJM-HNNXBMFYSA-N 1 0 244.338 2.205 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)s1 ZINC001252541664 968776385 /nfs/dbraw/zinc/77/63/85/968776385.db2.gz QKZWDSRGPTWLPW-NSHDSACASA-N 1 0 211.330 2.083 20 30 BEEDRO N#Cc1cc(C#N)cc(C=C2CC[NH2+]CC2)c1 ZINC001240877554 968784957 /nfs/dbraw/zinc/78/49/57/968784957.db2.gz ZQKPZUABPQIOBS-UHFFFAOYSA-N 1 0 223.279 2.197 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001252554804 968794429 /nfs/dbraw/zinc/79/44/29/968794429.db2.gz LWXIQVFOGUQGSP-HZPDHXFCSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](CC)Cc1ccccc1O ZINC001252558072 968802750 /nfs/dbraw/zinc/80/27/50/968802750.db2.gz MFRDMEHFAQTGKK-CQSZACIVSA-N 1 0 235.327 2.151 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCO1 ZINC000829180613 968821575 /nfs/dbraw/zinc/82/15/75/968821575.db2.gz VZHDXYFBZJIKRV-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](Cc1ccco1)C1CC1 ZINC001252559321 968804369 /nfs/dbraw/zinc/80/43/69/968804369.db2.gz VWHKQVPIHQVPOP-ZDUSSCGKSA-N 1 0 221.300 2.181 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](CCC)CCc1ccccn1 ZINC001252560702 968807564 /nfs/dbraw/zinc/80/75/64/968807564.db2.gz VOQMCURZOKJBFH-OAHLLOKOSA-N 1 0 248.370 2.273 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001252571422 968819586 /nfs/dbraw/zinc/81/95/86/968819586.db2.gz IUFJNMQZYDSECQ-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000829180373 968820682 /nfs/dbraw/zinc/82/06/82/968820682.db2.gz SYZNORDUJJNJRH-VXGBXAGGSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000829179875 968820702 /nfs/dbraw/zinc/82/07/02/968820702.db2.gz PUEVUMLNTBRAPZ-MXWKQRLJSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCOCC1 ZINC000829179535 968820970 /nfs/dbraw/zinc/82/09/70/968820970.db2.gz NDENNGPKLILVGC-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H](C)CCO ZINC000829178898 968821469 /nfs/dbraw/zinc/82/14/69/968821469.db2.gz JCXWENXNXORZIZ-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCOCC(F)F ZINC000829179744 968822067 /nfs/dbraw/zinc/82/20/67/968822067.db2.gz OMYGYISURUFCED-SECBINFHSA-N 1 0 234.290 2.186 20 30 BEEDRO C[C@H](CCO)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829178899 968822229 /nfs/dbraw/zinc/82/22/29/968822229.db2.gz JCXWENXNXORZIZ-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179462 968822374 /nfs/dbraw/zinc/82/23/74/968822374.db2.gz MIHNDTXBEOYWOC-AAEUAGOBSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179152 968822706 /nfs/dbraw/zinc/82/27/06/968822706.db2.gz KIKWVLCQZRXJAG-VXGBXAGGSA-N 1 0 226.364 2.311 20 30 BEEDRO COc1ccc(CCC[NH+]2CC(CC#N)C2)cc1 ZINC001207572079 968823588 /nfs/dbraw/zinc/82/35/88/968823588.db2.gz HYHAMQDELAVJSW-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1ccccc1F ZINC001252572929 968823688 /nfs/dbraw/zinc/82/36/88/968823688.db2.gz WMCXHIYHKOOWHT-MFKMUULPSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc2ccccc2cn1 ZINC001252574352 968824962 /nfs/dbraw/zinc/82/49/62/968824962.db2.gz NYHYXZDXGPJNOQ-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC001252574656 968826378 /nfs/dbraw/zinc/82/63/78/968826378.db2.gz OSEGUUMGTZDHJQ-GZMMTYOYSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@](C)(O)CNC(=[NH2+])C1CCCCCC1 ZINC001252576158 968827418 /nfs/dbraw/zinc/82/74/18/968827418.db2.gz JBDJKTBXQZJSQL-ZDUSSCGKSA-N 1 0 224.348 2.461 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1C[C@H]1c1ccc(F)cc1 ZINC001252575538 968828085 /nfs/dbraw/zinc/82/80/85/968828085.db2.gz CJWGRTFCYVBHJH-IHRRRGAJSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC001252578637 968829510 /nfs/dbraw/zinc/82/95/10/968829510.db2.gz FOAVEBPBERJVPW-HUUCEWRRSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001252578164 968830281 /nfs/dbraw/zinc/83/02/81/968830281.db2.gz CAAQYQNJWCEGKF-MNOVXSKESA-N 1 0 245.313 2.481 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1CCC(C)(C)CC1 ZINC001252582838 968835403 /nfs/dbraw/zinc/83/54/03/968835403.db2.gz XNGWYBVOKJLOLM-ZDUSSCGKSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1cccnc1C)C1CC1 ZINC001252583399 968837759 /nfs/dbraw/zinc/83/77/59/968837759.db2.gz JPQIQOFNMOCZBK-GJZGRUSLSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)c1ncccc1C ZINC001252583621 968838078 /nfs/dbraw/zinc/83/80/78/968838078.db2.gz OSACFDGZHAVZOA-OAHLLOKOSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(Cl)s1 ZINC001252586045 968839686 /nfs/dbraw/zinc/83/96/86/968839686.db2.gz XAHJIHJXJLDTBW-LLVKDONJSA-N 1 0 245.775 2.471 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCCC12CCC2 ZINC001252587753 968842361 /nfs/dbraw/zinc/84/23/61/968842361.db2.gz WSLWVZVVRJGIMP-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](O)CNc1c[nH+]c2ccccn12 ZINC001252590823 968847584 /nfs/dbraw/zinc/84/75/84/968847584.db2.gz CKWGSCNNMZXPQF-LLVKDONJSA-N 1 0 231.299 2.073 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](C)(F)[C@H](F)C1 ZINC001252593012 968850254 /nfs/dbraw/zinc/85/02/54/968850254.db2.gz BMRWITSYSLBGTH-QJPTWQEYSA-N 1 0 233.302 2.086 20 30 BEEDRO C=CCC[C@H](O)CNc1ccc2[nH+]c(C)cn2c1 ZINC001252592274 968851106 /nfs/dbraw/zinc/85/11/06/968851106.db2.gz PJBKBASPQRQSQO-ZDUSSCGKSA-N 1 0 245.326 2.382 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](C)(F)[C@@H](F)C1 ZINC001252593014 968851166 /nfs/dbraw/zinc/85/11/66/968851166.db2.gz BMRWITSYSLBGTH-SRVKXCTJSA-N 1 0 233.302 2.086 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CC2CCC(CC2)C1 ZINC001252602436 968859642 /nfs/dbraw/zinc/85/96/42/968859642.db2.gz SASDXEBCOUPEHO-RUXDESIVSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)CC1CC(F)(F)C1 ZINC001252602608 968860518 /nfs/dbraw/zinc/86/05/18/968860518.db2.gz CVGQKXSMKKMHHR-LLVKDONJSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCCC12CC2 ZINC001252603273 968860977 /nfs/dbraw/zinc/86/09/77/968860977.db2.gz RRDBDYXWLTZFFS-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccnc1C ZINC001252602588 968861279 /nfs/dbraw/zinc/86/12/79/968861279.db2.gz VBFGJBLQOZLASC-CQSZACIVSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCC[C@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC001252605475 968862321 /nfs/dbraw/zinc/86/23/21/968862321.db2.gz OFYSMQFBOIMHCR-HNNXBMFYSA-N 1 0 248.370 2.487 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)cc1 ZINC001207711327 968864295 /nfs/dbraw/zinc/86/42/95/968864295.db2.gz AKYAIGSDDFUBPI-UHFFFAOYSA-N 1 0 239.322 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1cccnc1 ZINC001252612083 968867255 /nfs/dbraw/zinc/86/72/55/968867255.db2.gz IUCBAUPKYXKVPC-ZDUSSCGKSA-N 1 0 234.343 2.233 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC[C@H]1F ZINC001252611697 968867878 /nfs/dbraw/zinc/86/78/78/968867878.db2.gz DLFPCAOKEMYETH-QJPTWQEYSA-N 1 0 215.312 2.041 20 30 BEEDRO C#CC[N@@H+](Cc1cn(CCC)nc1C)C(C)C ZINC001207715462 968868801 /nfs/dbraw/zinc/86/88/01/968868801.db2.gz GCQSNMQZKUTSRY-UHFFFAOYSA-N 1 0 233.359 2.445 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001252612213 968870156 /nfs/dbraw/zinc/87/01/56/968870156.db2.gz KILYLJCZGXCVCM-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC001252615062 968871913 /nfs/dbraw/zinc/87/19/13/968871913.db2.gz ULOQDEFTJVPEKR-CMPLNLGQSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC001207740762 968872631 /nfs/dbraw/zinc/87/26/31/968872631.db2.gz FLLSDPRGHWECNI-QIAWRQBBSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCOc1ccccc1C ZINC001252615184 968873625 /nfs/dbraw/zinc/87/36/25/968873625.db2.gz WSMRXJFPSXESGY-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)CCCC(C)(C)O ZINC001252615716 968874969 /nfs/dbraw/zinc/87/49/69/968874969.db2.gz DGQZIHJVGROFBJ-QWHCGFSZSA-N 1 0 243.391 2.233 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ncccc1Cl ZINC001252616159 968875711 /nfs/dbraw/zinc/87/57/11/968875711.db2.gz KYLZNGPOAAQXCO-SNVBAGLBSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C)n1 ZINC001252618360 968876960 /nfs/dbraw/zinc/87/69/60/968876960.db2.gz SVCSHGCXUGHRMD-STQMWFEESA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cncn1C1CCC1 ZINC001252622125 968882147 /nfs/dbraw/zinc/88/21/47/968882147.db2.gz PBRZDIUBZNYYIX-CQSZACIVSA-N 1 0 249.358 2.025 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)Cc1cccnc1 ZINC001252623322 968883015 /nfs/dbraw/zinc/88/30/15/968883015.db2.gz JACVHZCUVKNLRO-AWEZNQCLSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)Cc1ccncc1 ZINC001252622210 968883230 /nfs/dbraw/zinc/88/32/30/968883230.db2.gz QDSIINSOKGTMIH-AWEZNQCLSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001207915209 968930395 /nfs/dbraw/zinc/93/03/95/968930395.db2.gz UYUIMXABGJQGGC-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN1CC[NH+](CCCc2ccc(C)o2)CC1 ZINC001207947855 968941602 /nfs/dbraw/zinc/94/16/02/968941602.db2.gz LRDHJSSOTIIDHT-UHFFFAOYSA-N 1 0 248.370 2.324 20 30 BEEDRO CCC[C@H](O)C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001252779822 968951717 /nfs/dbraw/zinc/95/17/17/968951717.db2.gz SNDFKBXFKWAWMG-HNNXBMFYSA-N 1 0 244.338 2.077 20 30 BEEDRO C[N@H+]1CC=C(c2cc(C3(C#N)CC3)ccn2)CC1 ZINC001241317043 968972196 /nfs/dbraw/zinc/97/21/96/968972196.db2.gz HNWLGURVYGIXCX-UHFFFAOYSA-N 1 0 239.322 2.356 20 30 BEEDRO CCC[C@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001252804405 968990509 /nfs/dbraw/zinc/99/05/09/968990509.db2.gz LEAQOBYBZBLUAT-HSBZDZAISA-N 1 0 236.359 2.354 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCOC ZINC001253228715 969108426 /nfs/dbraw/zinc/10/84/26/969108426.db2.gz WPVCVWUNGZEREW-ZDUSSCGKSA-N 1 0 229.364 2.110 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CC(CO)C2)CC1 ZINC001208176532 969109243 /nfs/dbraw/zinc/10/92/43/969109243.db2.gz FXXNPGDGVVGYQU-CQSZACIVSA-N 1 0 221.344 2.213 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)CCO ZINC001253247407 969121214 /nfs/dbraw/zinc/12/12/14/969121214.db2.gz IXJLNSOOXJHKRT-KBPBESRZSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H]1CCOC1 ZINC001253246265 969121234 /nfs/dbraw/zinc/12/12/34/969121234.db2.gz LPLWEWKHVIPUJL-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC001253256275 969124535 /nfs/dbraw/zinc/12/45/35/969124535.db2.gz UISJJPSVQLBXMH-ZIAGYGMSSA-N 1 0 243.391 2.234 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001208391744 969138117 /nfs/dbraw/zinc/13/81/17/969138117.db2.gz VVQIADKJRVOKAQ-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001208512074 969143140 /nfs/dbraw/zinc/14/31/40/969143140.db2.gz VFTAEIOGDWMMPW-BZPMIXESSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CCc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001242020094 969175223 /nfs/dbraw/zinc/17/52/23/969175223.db2.gz OXBQSBIIKXPEJV-OLZOCXBDSA-N 1 0 225.295 2.055 20 30 BEEDRO O=C1C=C2C[N@@H+](CCC3CC3)CCC2S1 ZINC001208681485 969192582 /nfs/dbraw/zinc/19/25/82/969192582.db2.gz YHNNVQFRCUWMMM-LLVKDONJSA-N 1 0 223.341 2.061 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(Cl)nc2C#N)CC1 ZINC001208718254 969203074 /nfs/dbraw/zinc/20/30/74/969203074.db2.gz KUHHONCGHHRPED-UHFFFAOYSA-N 1 0 248.717 2.238 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CCCCC ZINC001253553838 969226588 /nfs/dbraw/zinc/22/65/88/969226588.db2.gz IZOYADHYLVSGSG-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO CCCCC[C@H](O)C[NH2+][C@H](CC)CC#N ZINC001253556734 969230924 /nfs/dbraw/zinc/23/09/24/969230924.db2.gz YXONJOUZNJTBAY-NEPJUHHUSA-N 1 0 212.337 2.209 20 30 BEEDRO C#CCN1CC[NH+](Cc2cc(C)cc(C)c2)CC1 ZINC000089944861 969232422 /nfs/dbraw/zinc/23/24/22/969232422.db2.gz BBUIKESPZZJITD-UHFFFAOYSA-N 1 0 242.366 2.054 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)c1ccccc1F)CC1CC1 ZINC001253562837 969232472 /nfs/dbraw/zinc/23/24/72/969232472.db2.gz FUTKDWWIANMIMM-HNNXBMFYSA-N 1 0 247.313 2.204 20 30 BEEDRO C=C[C@@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC001253566330 969235608 /nfs/dbraw/zinc/23/56/08/969235608.db2.gz XKTBNZKQTBCMBC-CYBMUJFWSA-N 1 0 214.268 2.194 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001253567012 969235628 /nfs/dbraw/zinc/23/56/28/969235628.db2.gz JKQDWQDMBCKIKE-CYBMUJFWSA-N 1 0 237.730 2.245 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)c1ccc(C)cc1)CC1CC1 ZINC001253563891 969236524 /nfs/dbraw/zinc/23/65/24/969236524.db2.gz ZCRYRHJKSYJRCG-MRXNPFEDSA-N 1 0 243.350 2.374 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(Cl)cnc2C#N)CC1 ZINC001208801980 969244563 /nfs/dbraw/zinc/24/45/63/969244563.db2.gz FVOXJJDYUBWSKG-UHFFFAOYSA-N 1 0 248.717 2.238 20 30 BEEDRO Cc1ccc(NC2=CC[N@H+](C)CC2)cc1C#N ZINC001208843864 969255370 /nfs/dbraw/zinc/25/53/70/969255370.db2.gz JNPYWTHNBACSEC-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO C[C@H]1COCC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208844995 969256784 /nfs/dbraw/zinc/25/67/84/969256784.db2.gz NCSSMVCHYWNFAB-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001253581273 969257031 /nfs/dbraw/zinc/25/70/31/969257031.db2.gz CEHQWMKNKSMZBA-KGLIPLIRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1cccs1 ZINC001253585992 969265344 /nfs/dbraw/zinc/26/53/44/969265344.db2.gz ICFOMJBKVBQYFK-JTQLQIEISA-N 1 0 211.330 2.117 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1cccs1 ZINC001253585993 969268110 /nfs/dbraw/zinc/26/81/10/969268110.db2.gz ICFOMJBKVBQYFK-SNVBAGLBSA-N 1 0 211.330 2.117 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001253586263 969268696 /nfs/dbraw/zinc/26/86/96/969268696.db2.gz KQUNNBZPWXMOJI-AWEZNQCLSA-N 1 0 233.355 2.486 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001253587664 969274155 /nfs/dbraw/zinc/27/41/55/969274155.db2.gz NQFWYDJOUXCJIN-ZIAGYGMSSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001253597120 969287510 /nfs/dbraw/zinc/28/75/10/969287510.db2.gz AZLZEIAUDHVYDF-UDNWOFFPSA-N 1 0 237.265 2.244 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1CCC(C(F)(F)F)CC1 ZINC001253597119 969288616 /nfs/dbraw/zinc/28/86/16/969288616.db2.gz AZLZEIAUDHVYDF-RTBKNWGFSA-N 1 0 237.265 2.244 20 30 BEEDRO CC1(C[NH+]2CCN(CCC#N)CC2)CCCCC1 ZINC001208898978 969289015 /nfs/dbraw/zinc/28/90/15/969289015.db2.gz KRCNBVQVDTUZHJ-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001253600027 969293764 /nfs/dbraw/zinc/29/37/64/969293764.db2.gz WATWFAZCHHCUSE-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO COc1cccc(NC2=CC[N@H+](C)CC2)c1C#N ZINC001208909809 969297257 /nfs/dbraw/zinc/29/72/57/969297257.db2.gz GPCVTSICBOPERP-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C#CCOc1ccc(NC2=CC[N@H+](C)CC2)cc1 ZINC001208909967 969297993 /nfs/dbraw/zinc/29/79/93/969297993.db2.gz KYVIUSOHQAZITK-UHFFFAOYSA-N 1 0 242.322 2.330 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(Cl)cncc1Cl ZINC001253603653 969298820 /nfs/dbraw/zinc/29/88/20/969298820.db2.gz ZXFNVCXYRVEEOM-SSDOTTSWSA-N 1 0 247.125 2.025 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCCc1cccc(Cl)c1 ZINC001253603419 969300390 /nfs/dbraw/zinc/30/03/90/969300390.db2.gz XHPSFMANWUMDJD-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001253603831 969302392 /nfs/dbraw/zinc/30/23/92/969302392.db2.gz CZFBMTQGGNCGGD-RBSFLKMASA-N 1 0 247.338 2.043 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccccc1F ZINC001253606289 969303806 /nfs/dbraw/zinc/30/38/06/969303806.db2.gz FEGVIAAINKKJEH-JTQLQIEISA-N 1 0 223.291 2.197 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001253606272 969305422 /nfs/dbraw/zinc/30/54/22/969305422.db2.gz DTMAKTIQXPBFDE-YGRLFVJLSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC(C)(C)CC1CCC1 ZINC001253606710 969305904 /nfs/dbraw/zinc/30/59/04/969305904.db2.gz NGLQZRLWENWKRB-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC001253607732 969307858 /nfs/dbraw/zinc/30/78/58/969307858.db2.gz DOBFKMZHVUOACA-HNNXBMFYSA-N 1 0 233.355 2.489 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001253608719 969308781 /nfs/dbraw/zinc/30/87/81/969308781.db2.gz FZTXYKMLCMYPFD-CQSZACIVSA-N 1 0 249.329 2.285 20 30 BEEDRO CC(C)[N@H+](CCCO)CCc1ccc(C#N)cc1 ZINC001208926587 969309331 /nfs/dbraw/zinc/30/93/31/969309331.db2.gz VUUMOVLBIZGBNY-UHFFFAOYSA-N 1 0 246.354 2.194 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1ccccc1F ZINC001253609535 969309707 /nfs/dbraw/zinc/30/97/07/969309707.db2.gz VDQNRZWRRNGYSM-LBPRGKRZSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC001253609446 969310208 /nfs/dbraw/zinc/31/02/08/969310208.db2.gz SKYAMAGUPRRCFW-GXTWGEPZSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001253610040 969311062 /nfs/dbraw/zinc/31/10/62/969311062.db2.gz POPHHDWAQFURFS-CYBMUJFWSA-N 1 0 249.329 2.285 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1cccc(Cl)c1F ZINC001253610431 969311214 /nfs/dbraw/zinc/31/12/14/969311214.db2.gz SLUVGOQDVLJNKZ-SNVBAGLBSA-N 1 0 243.709 2.158 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1CCCN(C(C)=O)C1 ZINC001208981262 969315567 /nfs/dbraw/zinc/31/55/67/969315567.db2.gz IKAOCDBBFMFNHD-CQSZACIVSA-N 1 0 238.375 2.143 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987036 969341922 /nfs/dbraw/zinc/34/19/22/969341922.db2.gz HEOYFTHVHYNXRO-VXGBXAGGSA-N 1 0 238.331 2.071 20 30 BEEDRO Cc1cnc(C[NH3+])n1-c1ccc(CC#N)c(C)c1 ZINC001169029892 969347133 /nfs/dbraw/zinc/34/71/33/969347133.db2.gz XJYCIWQGWLQXQM-UHFFFAOYSA-N 1 0 240.310 2.014 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253727481 969349008 /nfs/dbraw/zinc/34/90/08/969349008.db2.gz DRKQXQUIVANZPN-RVMXOQNASA-N 1 0 236.359 2.160 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036669 969358900 /nfs/dbraw/zinc/35/89/00/969358900.db2.gz PNVRXDPKZDYMAY-VXGBXAGGSA-N 1 0 239.319 2.057 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](CC(=O)OC)C1 ZINC001209161781 969362695 /nfs/dbraw/zinc/36/26/95/969362695.db2.gz DNWWDNGLKAZYGG-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001209165723 969369914 /nfs/dbraw/zinc/36/99/14/969369914.db2.gz URNPXQFMXMSCMU-NWDGAFQWSA-N 1 0 207.317 2.254 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001209183892 969373939 /nfs/dbraw/zinc/37/39/39/969373939.db2.gz QNELMRFYTMVWEX-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169100297 969389577 /nfs/dbraw/zinc/38/95/77/969389577.db2.gz IJUIDNXEMQDRHC-XJFOESAGSA-N 1 0 220.360 2.003 20 30 BEEDRO C#CCCC[NH+]1CCC(c2nnc(CC)o2)CC1 ZINC001209268899 969418378 /nfs/dbraw/zinc/41/83/78/969418378.db2.gz AFUIFLGZTUNXIH-UHFFFAOYSA-N 1 0 247.342 2.225 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(CC#N)CCCC1)C2 ZINC001169124394 969418314 /nfs/dbraw/zinc/41/83/14/969418314.db2.gz QYAZCDVDEBCIHL-BTTYYORXSA-N 1 0 247.386 2.428 20 30 BEEDRO C=CCCCCCC[NH+]1CC2(COC2)C1 ZINC001209430671 969488070 /nfs/dbraw/zinc/48/80/70/969488070.db2.gz ANEOFVIKLUACBN-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C(C)C ZINC001169223714 969492514 /nfs/dbraw/zinc/49/25/14/969492514.db2.gz BKGONFHFJJYGGV-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C)C1 ZINC001209427284 969498800 /nfs/dbraw/zinc/49/88/00/969498800.db2.gz MTXZMMKCWFFVBZ-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCCC[NH+]1CC(CC(=O)OC)C1 ZINC001209427620 969498825 /nfs/dbraw/zinc/49/88/25/969498825.db2.gz VUGHRZZZRGUPCE-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCCCCC[NH+]1CC(N(C)C(C)=O)C1 ZINC001209435624 969510046 /nfs/dbraw/zinc/51/00/46/969510046.db2.gz GOHGVGKHBBOGBK-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO CCCCN(CC#N)CCC[NH+]1CCCCC1 ZINC001209450871 969519133 /nfs/dbraw/zinc/51/91/33/969519133.db2.gz NEFHEDPSIWQSFY-UHFFFAOYSA-N 1 0 237.391 2.488 20 30 BEEDRO C=CC(NCCCc1ccc(C)nc1)=[NH+]COC ZINC001169256720 969542508 /nfs/dbraw/zinc/54/25/08/969542508.db2.gz PUBKPORHVTXEFX-UHFFFAOYSA-N 1 0 247.342 2.101 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001209573819 969556748 /nfs/dbraw/zinc/55/67/48/969556748.db2.gz ANAMXARCGIDZSN-LBPRGKRZSA-N 1 0 217.316 2.449 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(S)CC2)[nH]1 ZINC001209574663 969558408 /nfs/dbraw/zinc/55/84/08/969558408.db2.gz UQDFKIXLAYARBL-UHFFFAOYSA-N 1 0 210.346 2.217 20 30 BEEDRO SCCCCCC[NH2+][C@H]1CCCOC1 ZINC001254372034 969585092 /nfs/dbraw/zinc/58/50/92/969585092.db2.gz FTNSMNKULBOPRL-NSHDSACASA-N 1 0 217.378 2.245 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)CC ZINC001169385951 969621953 /nfs/dbraw/zinc/62/19/53/969621953.db2.gz MGFYLUIXBXPJAR-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)[C@H](C)CC ZINC001169400907 969626020 /nfs/dbraw/zinc/62/60/20/969626020.db2.gz OISPBRUWKYDVRO-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)CC(C)C ZINC001169414075 969628607 /nfs/dbraw/zinc/62/86/07/969628607.db2.gz QTVQOUPZPNDFJW-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C[N@@H+]1CCC[C@H](NCc2ccc(C#N)s2)CC1 ZINC001254507887 969652336 /nfs/dbraw/zinc/65/23/36/969652336.db2.gz OIMOBDBIFQAIBI-NSHDSACASA-N 1 0 249.383 2.194 20 30 BEEDRO C[N@@H+]1CCC[C@H](N[C@@H](C#N)c2ccccc2)CC1 ZINC001254497599 969658037 /nfs/dbraw/zinc/65/80/37/969658037.db2.gz LKPATZLIPAUREY-GJZGRUSLSA-N 1 0 243.354 2.325 20 30 BEEDRO C[N@@H+]1CCC[C@H](N[C@H](C#N)c2ccccc2)CC1 ZINC001254497601 969662128 /nfs/dbraw/zinc/66/21/28/969662128.db2.gz LKPATZLIPAUREY-LSDHHAIUSA-N 1 0 243.354 2.325 20 30 BEEDRO [NH3+]Cc1cccc(NC=CC(=O)C(F)(F)F)c1 ZINC001169475369 969670969 /nfs/dbraw/zinc/67/09/69/969670969.db2.gz JZHBWJFEQWURFJ-SNAWJCMRSA-N 1 0 244.216 2.202 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CCC[N@H+](C)CC1 ZINC001254522951 969706272 /nfs/dbraw/zinc/70/62/72/969706272.db2.gz KXOGYBLAGZKLGM-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO C#Cc1ccc(Nc2c[nH+]c(N)cc2C)cn1 ZINC001209966062 969728586 /nfs/dbraw/zinc/72/85/86/969728586.db2.gz QRLSTEQDDLXKAH-UHFFFAOYSA-N 1 0 224.267 2.092 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542441 969737680 /nfs/dbraw/zinc/73/76/80/969737680.db2.gz NHRHDAICKHYEET-GHMZBOCLSA-N 1 0 232.283 2.137 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC001254634248 969751609 /nfs/dbraw/zinc/75/16/09/969751609.db2.gz AGFKCSNHLIQEFB-HUUCEWRRSA-N 1 0 243.354 2.140 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1C ZINC001254636162 969752495 /nfs/dbraw/zinc/75/24/95/969752495.db2.gz JHZCEWNLRUZVIE-RYUDHWBXSA-N 1 0 217.316 2.115 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1O ZINC001254635857 969753475 /nfs/dbraw/zinc/75/34/75/969753475.db2.gz GBTQETDCDDGHLW-ZYHUDNBSSA-N 1 0 246.310 2.183 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1F ZINC001254644764 969757587 /nfs/dbraw/zinc/75/75/87/969757587.db2.gz XGAGXVHUQBWIDF-GXFFZTMASA-N 1 0 243.285 2.479 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001254644428 969757653 /nfs/dbraw/zinc/75/76/53/969757653.db2.gz SDCWHFWDZLEVFM-KBHBFKLGSA-N 1 0 234.343 2.106 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001254645544 969761276 /nfs/dbraw/zinc/76/12/76/969761276.db2.gz DMYYXHIZRNFZCB-QWRGUYRKSA-N 1 0 244.294 2.066 20 30 BEEDRO N#C[C@@H]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001254650820 969764034 /nfs/dbraw/zinc/76/40/34/969764034.db2.gz XUCXVTXGVHENPS-ZYHUDNBSSA-N 1 0 240.310 2.360 20 30 BEEDRO N#CCc1cc(F)cc(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169569651 969765943 /nfs/dbraw/zinc/76/59/43/969765943.db2.gz QXEIPDHZSHVPAB-CYBMUJFWSA-N 1 0 247.317 2.446 20 30 BEEDRO C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)CC[C@H]2O1 ZINC001254657304 969768125 /nfs/dbraw/zinc/76/81/25/969768125.db2.gz CNWLHRZWFWLNKA-QSLWVIQJSA-N 1 0 234.343 2.178 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001254659978 969768138 /nfs/dbraw/zinc/76/81/38/969768138.db2.gz FLQBBJMMZVRUAV-RISCZKNCSA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001254659378 969768224 /nfs/dbraw/zinc/76/82/24/969768224.db2.gz PCERXHBOESQZEV-VLEAKVRGSA-N 1 0 226.270 2.266 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cnccn2)C1 ZINC001254667246 969775189 /nfs/dbraw/zinc/77/51/89/969775189.db2.gz BMEJUEMXAQOUNA-YRGRVCCFSA-N 1 0 242.326 2.306 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001254665303 969775336 /nfs/dbraw/zinc/77/53/36/969775336.db2.gz MRFUYAZVWCKZTP-CSYMLDBXSA-N 1 0 208.280 2.111 20 30 BEEDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254662170 969775799 /nfs/dbraw/zinc/77/57/99/969775799.db2.gz CPQCWKVUFCIBIS-KBXIAJHMSA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001254667914 969776093 /nfs/dbraw/zinc/77/60/93/969776093.db2.gz FARYWXFUCJYNMI-WCQYABFASA-N 1 0 227.311 2.132 20 30 BEEDRO Cc1cc2c(cn1)C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254671894 969777852 /nfs/dbraw/zinc/77/78/52/969777852.db2.gz WFPCBRIHFFRAMO-SMDDNHRTSA-N 1 0 227.311 2.398 20 30 BEEDRO CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254673984 969779390 /nfs/dbraw/zinc/77/93/90/969779390.db2.gz RYYQLNPBGPEJMT-MGPQQGTHSA-N 1 0 235.375 2.093 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254675877 969779501 /nfs/dbraw/zinc/77/95/01/969779501.db2.gz GWPZZNYMIPTYAA-RWMBFGLXSA-N 1 0 222.332 2.035 20 30 BEEDRO CN1CC[N@H+]([C@H]2CC[C@H](C#N)C2)C2(CCCC2)C1 ZINC001254674649 969779635 /nfs/dbraw/zinc/77/96/35/969779635.db2.gz 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LUQYHRIHHLRKHZ-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO C#CCN1CC[NH+]([C@H](C)CCCC(C)C)CC1 ZINC001170087469 970215315 /nfs/dbraw/zinc/21/53/15/970215315.db2.gz GEBNWFMRWGBEBP-OAHLLOKOSA-N 1 0 236.403 2.452 20 30 BEEDRO CC(C)(C)c1cc(-n2cc(N)c(C#N)n2)cc[nH+]1 ZINC001213164473 970286913 /nfs/dbraw/zinc/28/69/13/970286913.db2.gz QVZIUWTYTZVJET-UHFFFAOYSA-N 1 0 241.298 2.019 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC#CC(C)(C)C)CCO1 ZINC000300719200 970301145 /nfs/dbraw/zinc/30/11/45/970301145.db2.gz AUFLIUWGYDRRMI-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCOC(C)(C)C2)C1 ZINC001255546283 970317404 /nfs/dbraw/zinc/31/74/04/970317404.db2.gz NWVVIIJRZSUQBN-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO N#Cc1cc2c(cccc2C2=CC[NH2+]C2)[nH]1 ZINC001243110295 970351305 /nfs/dbraw/zinc/35/13/05/970351305.db2.gz FGSNZAZCGVARGC-UHFFFAOYSA-N 1 0 209.252 2.026 20 30 BEEDRO COC[C@H](C)[N@H+](CCC#N)C1CCCC1 ZINC001255575725 970369064 /nfs/dbraw/zinc/36/90/64/970369064.db2.gz GPMQMVOEWCKMHT-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@@](C)(C#N)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668932 970447092 /nfs/dbraw/zinc/44/70/92/970447092.db2.gz PKOBZFAVCAZRKO-GSPSYOTPSA-N 1 0 235.375 2.284 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CCC)C[C@H]1C ZINC001214364253 970494537 /nfs/dbraw/zinc/49/45/37/970494537.db2.gz MXWDMEMXEHMZDV-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CCCCC#N)CCO1 ZINC001170170989 970537217 /nfs/dbraw/zinc/53/72/17/970537217.db2.gz WETJNWCQMZQNRW-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CCCCC#N)CCO1 ZINC001170170991 970538589 /nfs/dbraw/zinc/53/85/89/970538589.db2.gz WETJNWCQMZQNRW-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@@H](NC1CCCCCC1)C(=O)OC ZINC001255882619 970544285 /nfs/dbraw/zinc/54/42/85/970544285.db2.gz FEIOWAOKGVWYOW-GFCCVEGCSA-N 1 0 225.332 2.417 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCO[C@H](CC)C2)N=N1 ZINC001170205236 970574563 /nfs/dbraw/zinc/57/45/63/970574563.db2.gz WVTSBHQVYAIMKB-QWHCGFSZSA-N 1 0 249.358 2.499 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000304626749 970623268 /nfs/dbraw/zinc/62/32/68/970623268.db2.gz PZGJSSZFKGUJPC-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC000304626753 970624384 /nfs/dbraw/zinc/62/43/84/970624384.db2.gz PZGJSSZFKGUJPC-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO N#CCC1(C[NH+]2CCC(CCCO)CC2)CC1 ZINC000401058191 970656743 /nfs/dbraw/zinc/65/67/43/970656743.db2.gz FBDVSXIWGBMZMG-UHFFFAOYSA-N 1 0 236.359 2.165 20 30 BEEDRO C=CCc1cc(C)cnc1NCC1C[NH+](C)C1 ZINC001170252462 970664004 /nfs/dbraw/zinc/66/40/04/970664004.db2.gz MVPXUULGGQWEKF-UHFFFAOYSA-N 1 0 231.343 2.092 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@H]1C ZINC001215340549 970714911 /nfs/dbraw/zinc/71/49/11/970714911.db2.gz YUSMTMJFNHYSEQ-XCEACWERSA-N 1 0 248.370 2.131 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCCC#N)C[C@@H]1C ZINC001170413236 970745914 /nfs/dbraw/zinc/74/59/14/970745914.db2.gz XERZPJCOFJKTHL-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC)C1 ZINC001215427649 970750584 /nfs/dbraw/zinc/75/05/84/970750584.db2.gz HVXSLYWFFIPAJR-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCCOCC[NH2+][C@H](C)CCC(C)C ZINC001256358017 970756448 /nfs/dbraw/zinc/75/64/48/970756448.db2.gz PDJUOJGKDWYCBT-CQSZACIVSA-N 1 0 241.375 2.067 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CCC[C@@H]1CCOC1 ZINC000402090231 970760261 /nfs/dbraw/zinc/76/02/61/970760261.db2.gz SIQRFPBGYFFXAT-MRXNPFEDSA-N 1 0 243.350 2.444 20 30 BEEDRO C[C@@]1(CF)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144074392 972548693 /nfs/dbraw/zinc/54/86/93/972548693.db2.gz LKBDWNGFPYIQIT-ZDUSSCGKSA-N 1 0 233.290 2.135 20 30 BEEDRO C=C(C)C[NH2+]C1CC(CNC(=O)C2=CCCC2)C1 ZINC001090980200 972563080 /nfs/dbraw/zinc/56/30/80/972563080.db2.gz JWHNCZNKHGXNMY-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001327605398 972665875 /nfs/dbraw/zinc/66/58/75/972665875.db2.gz FANSEVMGEVGXIM-NZHYYXIDSA-N 1 0 226.270 2.312 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CCC)C1 ZINC001327868772 972767588 /nfs/dbraw/zinc/76/75/88/972767588.db2.gz RLXYWBWRGXOUCC-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC)C1 ZINC001327868771 972768505 /nfs/dbraw/zinc/76/85/05/972768505.db2.gz RLXYWBWRGXOUCC-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC1 ZINC001171174539 972801760 /nfs/dbraw/zinc/80/17/60/972801760.db2.gz AGLQIKITBMMOJU-SNVBAGLBSA-N 1 0 200.285 2.241 20 30 BEEDRO CC(=O)C(C)(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171174947 972802583 /nfs/dbraw/zinc/80/25/83/972802583.db2.gz GNYLRPQFNFHQCO-LLVKDONJSA-N 1 0 244.338 2.446 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCOC1 ZINC001171181780 972815077 /nfs/dbraw/zinc/81/50/77/972815077.db2.gz PLTCWPDOHKFRFZ-WFASDCNBSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC1COC1 ZINC001171189100 972831522 /nfs/dbraw/zinc/83/15/22/972831522.db2.gz AGYZFPKAOIYVCX-LBPRGKRZSA-N 1 0 244.338 2.115 20 30 BEEDRO Cc1nc(NCC(C)(C)[NH3+])c(C#N)c(C)c1C ZINC001171191320 972836842 /nfs/dbraw/zinc/83/68/42/972836842.db2.gz OUFWYFBXDUFPAM-UHFFFAOYSA-N 1 0 232.331 2.028 20 30 BEEDRO CCC(=O)C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171193542 972843795 /nfs/dbraw/zinc/84/37/95/972843795.db2.gz XLGKGLZTNBAUDS-NSHDSACASA-N 1 0 230.311 2.058 20 30 BEEDRO CC(C)([NH3+])CNc1cccc(CC#N)c1F ZINC001171195967 972847487 /nfs/dbraw/zinc/84/74/87/972847487.db2.gz NGAIFZNQFPZKNR-UHFFFAOYSA-N 1 0 221.279 2.041 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H](C)CC[C@H]1CN ZINC001246571567 972851877 /nfs/dbraw/zinc/85/18/77/972851877.db2.gz VSHZQQQENYMVLF-UPJWGTAASA-N 1 0 223.364 2.128 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC001328090905 972870118 /nfs/dbraw/zinc/87/01/18/972870118.db2.gz KCSOWXDCMJCFMC-RYUDHWBXSA-N 1 0 233.311 2.170 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246573660 972870415 /nfs/dbraw/zinc/87/04/15/972870415.db2.gz WUDPQBYVZDBMRT-UWVGGRQHSA-N 1 0 236.281 2.307 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001144567781 972873400 /nfs/dbraw/zinc/87/34/00/972873400.db2.gz BNUJDIBCIOPWGQ-RISCZKNCSA-N 1 0 217.287 2.458 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)cc1 ZINC001144568257 972874058 /nfs/dbraw/zinc/87/40/58/972874058.db2.gz OUFGAUDONKDYLD-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)Cc1cccc(C#N)c1)C(C)(C)O ZINC001171201240 972894245 /nfs/dbraw/zinc/89/42/45/972894245.db2.gz IWAKIUABHUUSCK-NWDGAFQWSA-N 1 0 246.354 2.238 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC=CC1 ZINC001171204084 972920583 /nfs/dbraw/zinc/92/05/83/972920583.db2.gz SKWZICXQUJXPFT-LBPRGKRZSA-N 1 0 212.296 2.361 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@H+](CC=C)[C@H](C)C1 ZINC001328238787 972922806 /nfs/dbraw/zinc/92/28/06/972922806.db2.gz FNOVBBKEWFHZFE-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@H+](CC=C)[C@@H](C)C1 ZINC001328238790 972924043 /nfs/dbraw/zinc/92/40/43/972924043.db2.gz FNOVBBKEWFHZFE-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO CC[N@H+](CCOC)[C@H](C)Cc1cccc(C#N)c1 ZINC001171204361 972924479 /nfs/dbraw/zinc/92/44/79/972924479.db2.gz WQWDGVVWELCDHP-CYBMUJFWSA-N 1 0 246.354 2.458 20 30 BEEDRO COCC[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171204246 972929514 /nfs/dbraw/zinc/92/95/14/972929514.db2.gz UZPAMCRFBYPAMI-GFCCVEGCSA-N 1 0 232.327 2.067 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208990 972939581 /nfs/dbraw/zinc/93/95/81/972939581.db2.gz GWYFXWRNDNHBFR-WFASDCNBSA-N 1 0 244.338 2.210 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCC2CCC2)C1 ZINC001328395550 973020228 /nfs/dbraw/zinc/02/02/28/973020228.db2.gz XQIROXPEGTVGFU-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CCCCCCCC[N@H+](C)[C@H]1CNC(=O)C1 ZINC001246770093 973090547 /nfs/dbraw/zinc/09/05/47/973090547.db2.gz NOLFVNNIBKIVPK-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001328702401 973280403 /nfs/dbraw/zinc/28/04/03/973280403.db2.gz GWERCBUNMCBSIX-CYBMUJFWSA-N 1 0 230.311 2.459 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC001328719784 973296997 /nfs/dbraw/zinc/29/69/97/973296997.db2.gz RSBOMZKCWVBXKM-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC[C@@H]3[NH2+]C)C[C@H](C1)C2 ZINC001246901282 973351185 /nfs/dbraw/zinc/35/11/85/973351185.db2.gz XAUZBHBQMLTOJC-QNMSZWNNSA-N 1 0 220.360 2.373 20 30 BEEDRO C[C@H](O[C@H](CC#N)C[N+](C)(C)C)c1ccccn1 ZINC001223998409 973387676 /nfs/dbraw/zinc/38/76/76/973387676.db2.gz MIJPNHOHBITJTI-QWHCGFSZSA-N 1 0 248.350 2.148 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@@H](CC)C(C)(C)C ZINC001147466424 973627717 /nfs/dbraw/zinc/62/77/17/973627717.db2.gz LFRVGUZRIJLZPE-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[C@H](C=C)OCC1CC[NH+](C)CC1 ZINC001224457645 973656815 /nfs/dbraw/zinc/65/68/15/973656815.db2.gz SDLMQXKTFYUNKA-ZDUSSCGKSA-N 1 0 209.333 2.476 20 30 BEEDRO C#C[C@H](OCC1CC[NH+](C)CC1)C(C)C ZINC001224457495 973659215 /nfs/dbraw/zinc/65/92/15/973659215.db2.gz PXVDTHFHLDNLIT-ZDUSSCGKSA-N 1 0 209.333 2.003 20 30 BEEDRO CCC#C[C@@H](C)OCC1CC[NH+](C)CC1 ZINC001224451836 973660009 /nfs/dbraw/zinc/66/00/09/973660009.db2.gz BKPIAMNLNQTZDN-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@@H]1C[NH+](C2CCC(C)(C#N)CC2)C[C@@H](C)N1 ZINC001246962194 973674649 /nfs/dbraw/zinc/67/46/49/973674649.db2.gz CZQIWEZPELGXTE-IWMBGFJWSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CCCCC ZINC001329385198 973727005 /nfs/dbraw/zinc/72/70/05/973727005.db2.gz FFHGWVKYJWXURS-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000234855681 973773521 /nfs/dbraw/zinc/77/35/21/973773521.db2.gz QPQAOTAQPMZNJC-DTWKUNHWSA-N 1 0 248.164 2.298 20 30 BEEDRO C#CC[C@H](CC)OC[C@H]1CCCC[N@@H+]1C ZINC001224706688 973874419 /nfs/dbraw/zinc/87/44/19/973874419.db2.gz LJGVYPBQJFRCLL-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171337993 973887256 /nfs/dbraw/zinc/88/72/56/973887256.db2.gz UMWAHQPZWUGKMR-NSHDSACASA-N 1 0 221.250 2.045 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001329722543 973898293 /nfs/dbraw/zinc/89/82/93/973898293.db2.gz HIRADCRNQBTVLZ-VIFPVBQESA-N 1 0 244.697 2.165 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OCCC[NH+]1CCCC1 ZINC001224745062 973900718 /nfs/dbraw/zinc/90/07/18/973900718.db2.gz VTAQKBSTSCRYJG-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1ccccc1F ZINC001329878219 973995688 /nfs/dbraw/zinc/99/56/88/973995688.db2.gz NZNCVJHHJOBYEK-UHFFFAOYSA-N 1 0 235.302 2.297 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1ccc(C)cc1C ZINC001149686856 973999407 /nfs/dbraw/zinc/99/94/07/973999407.db2.gz LRRWKUHWHLYOIQ-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO Fc1cccc2c1CC[C@@H]([NH2+]CCS)C2 ZINC001171393571 974004608 /nfs/dbraw/zinc/00/46/08/974004608.db2.gz DXAWSCMVWJLGDM-SNVBAGLBSA-N 1 0 225.332 2.202 20 30 BEEDRO C#CC1([NH2+][C@H]2CCc3c(F)cccc3C2)CC1 ZINC001171409872 974014139 /nfs/dbraw/zinc/01/41/39/974014139.db2.gz QXNGZTILCYNBJG-LBPRGKRZSA-N 1 0 229.298 2.438 20 30 BEEDRO C#CC[C@H](C)OCCC[NH+]1CCCCC1 ZINC001224861577 974034149 /nfs/dbraw/zinc/03/41/49/974034149.db2.gz XUDBOGRMDZYFDE-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC001137047823 974050211 /nfs/dbraw/zinc/05/02/11/974050211.db2.gz ODEWCXXPLXZMIG-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)CCCC)CC1 ZINC001277002544 974050654 /nfs/dbraw/zinc/05/06/54/974050654.db2.gz WSOMJBYFHCDRCZ-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1CCc2c(F)cccc2C1 ZINC001171439542 974065729 /nfs/dbraw/zinc/06/57/29/974065729.db2.gz BCWZBRLPYJQMHH-AWEZNQCLSA-N 1 0 241.309 2.251 20 30 BEEDRO C#C[C@@H](CC(C)C)OCC[NH+](CC)CC ZINC001224931994 974078500 /nfs/dbraw/zinc/07/85/00/974078500.db2.gz RXTMWRRJHABOJO-ZDUSSCGKSA-N 1 0 211.349 2.393 20 30 BEEDRO C=CC(NCCOC1CCCCC1)=[NH+]COC ZINC001171478006 974085426 /nfs/dbraw/zinc/08/54/26/974085426.db2.gz MVZHLVCCRNGGJS-UHFFFAOYSA-N 1 0 240.347 2.114 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)OCC1(C#N)CC1 ZINC001224952958 974096359 /nfs/dbraw/zinc/09/63/59/974096359.db2.gz RDDZABRFHYXYJZ-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[NH+](CC)C[C@H](C)OCC1(C#N)CC1 ZINC001224952959 974097662 /nfs/dbraw/zinc/09/76/62/974097662.db2.gz RDDZABRFHYXYJZ-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171557793 974101497 /nfs/dbraw/zinc/10/14/97/974101497.db2.gz WSHCVKZXHNJQBV-GXTWGEPZSA-N 1 0 213.324 2.464 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001330107855 974110170 /nfs/dbraw/zinc/11/01/70/974110170.db2.gz IXZIIUICJFZIGX-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)OCC1=CCCCC1 ZINC001224999865 974132211 /nfs/dbraw/zinc/13/22/11/974132211.db2.gz BNXPPPGESCMVMV-CQSZACIVSA-N 1 0 237.367 2.492 20 30 BEEDRO N#CCCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171781159 974174067 /nfs/dbraw/zinc/17/40/67/974174067.db2.gz XLDWLCPNCMJUAD-LLVKDONJSA-N 1 0 218.275 2.186 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cc2OC)C1 ZINC001225193255 974209463 /nfs/dbraw/zinc/20/94/63/974209463.db2.gz IOTJRNUZIORELW-GFCCVEGCSA-N 1 0 246.310 2.040 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001225223093 974259698 /nfs/dbraw/zinc/25/96/98/974259698.db2.gz FKKXEJQEALUPIJ-CYBMUJFWSA-N 1 0 216.284 2.031 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2conc2CC)C1 ZINC001330433754 974263694 /nfs/dbraw/zinc/26/36/94/974263694.db2.gz WZVYHPDKQBHNAB-LBPRGKRZSA-N 1 0 236.315 2.014 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NCC1(C#N)CCC1)C2 ZINC001172100820 974345147 /nfs/dbraw/zinc/34/51/47/974345147.db2.gz UMZSOVBTPDHDFK-ZSOGYDGISA-N 1 0 247.386 2.285 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC[C@@H]1N(C)C ZINC001330608026 974354712 /nfs/dbraw/zinc/35/47/12/974354712.db2.gz LLFFPMQRBSDESM-RDBSUJKOSA-N 1 0 237.391 2.389 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@](C)(C#N)C1)C2 ZINC001172130395 974356277 /nfs/dbraw/zinc/35/62/77/974356277.db2.gz OQRHJHLIKYETJN-CBBWQLFWSA-N 1 0 247.386 2.237 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@](C)(C#N)C1)C2 ZINC001172130396 974357323 /nfs/dbraw/zinc/35/73/23/974357323.db2.gz OQRHJHLIKYETJN-LXTVHRRPSA-N 1 0 247.386 2.237 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCC1CCOCC1 ZINC001330624427 974369814 /nfs/dbraw/zinc/36/98/14/974369814.db2.gz AGGFSELPRPGOBM-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C=C)COC ZINC001330641754 974382855 /nfs/dbraw/zinc/38/28/55/974382855.db2.gz ZKNKBVGVWVAZTR-ZDUSSCGKSA-N 1 0 209.333 2.361 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]C(C)C ZINC001225307951 974384768 /nfs/dbraw/zinc/38/47/68/974384768.db2.gz SEZIOKODJHLXSS-CHWSQXEVSA-N 1 0 238.375 2.378 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH+]1CCC(C#N)CC1)C2 ZINC001172115445 974384902 /nfs/dbraw/zinc/38/49/02/974384902.db2.gz XSYXKLBPWUVIBQ-FICVDOATSA-N 1 0 247.386 2.237 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172123576 974387655 /nfs/dbraw/zinc/38/76/55/974387655.db2.gz FDMCOZCIBBQOBH-LVQVYYBASA-N 1 0 246.398 2.347 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(C(C)(C)C)CC1 ZINC001330660825 974391528 /nfs/dbraw/zinc/39/15/28/974391528.db2.gz BQLFHZFGAYNJTF-LBPRGKRZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172188798 974397474 /nfs/dbraw/zinc/39/74/74/974397474.db2.gz XCFDXLJLKFVKRN-NSHDSACASA-N 1 0 205.326 2.479 20 30 BEEDRO N#Cc1cc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cs1 ZINC001172234803 974438209 /nfs/dbraw/zinc/43/82/09/974438209.db2.gz NEPVSERABLHKAA-YOGCLGLASA-N 1 0 246.335 2.195 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C(C)=C2CCCC2)CC1 ZINC001277036764 974442977 /nfs/dbraw/zinc/44/29/77/974442977.db2.gz OFQDNNPPLXQYIJ-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C(C)=C\C)C2 ZINC001094890312 974462264 /nfs/dbraw/zinc/46/22/64/974462264.db2.gz DTSZIGVKQIEXGQ-CUWDICBXSA-N 1 0 248.370 2.108 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CCCC1 ZINC001172230262 974471000 /nfs/dbraw/zinc/47/10/00/974471000.db2.gz VSIMDQORWXCIDQ-YHWZYXNKSA-N 1 0 232.327 2.146 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2C#N)CO1 ZINC001172270923 974487896 /nfs/dbraw/zinc/48/78/96/974487896.db2.gz IEUYHTPITVXVIR-CYBMUJFWSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCCO1 ZINC001330829604 974491904 /nfs/dbraw/zinc/49/19/04/974491904.db2.gz AEBRNFVXXLLUKS-KGLIPLIRSA-N 1 0 249.358 2.056 20 30 BEEDRO N#CCC1CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172240485 974503090 /nfs/dbraw/zinc/50/30/90/974503090.db2.gz KREUVXNGDQDPKO-AGUYFDCRSA-N 1 0 232.327 2.098 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301736 974511800 /nfs/dbraw/zinc/51/18/00/974511800.db2.gz VUHOASKMMNDBGF-RYUDHWBXSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CSC1 ZINC001172302891 974516727 /nfs/dbraw/zinc/51/67/27/974516727.db2.gz RWHFVOQKNAFVSP-NSHDSACASA-N 1 0 246.379 2.442 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CSC1 ZINC001172302151 974518088 /nfs/dbraw/zinc/51/80/88/974518088.db2.gz FHTZDLFZSZBUTR-SNVBAGLBSA-N 1 0 232.352 2.194 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172304831 974518308 /nfs/dbraw/zinc/51/83/08/974518308.db2.gz AIZXDCSAVIMRRV-SWLSCSKDSA-N 1 0 244.338 2.210 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001330880491 974519094 /nfs/dbraw/zinc/51/90/94/974519094.db2.gz SCIAWZGPJSAPSF-VXGBXAGGSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001330880488 974519207 /nfs/dbraw/zinc/51/92/07/974519207.db2.gz SCIAWZGPJSAPSF-NWDGAFQWSA-N 1 0 238.375 2.222 20 30 BEEDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(C#N)nc2)CC1 ZINC001225500348 974533003 /nfs/dbraw/zinc/53/30/03/974533003.db2.gz UZOANYSNEPXZFI-JOCQHMNTSA-N 1 0 245.326 2.205 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)n1ccnc1C[NH3+] ZINC001172289377 974554413 /nfs/dbraw/zinc/55/44/13/974554413.db2.gz CQKDRFXULSDKGJ-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCCCO ZINC001172290929 974557393 /nfs/dbraw/zinc/55/73/93/974557393.db2.gz GNHMDTUVDYGAFU-CYBMUJFWSA-N 1 0 246.354 2.241 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)n1ccc(C[NH3+])n1 ZINC001172294260 974559900 /nfs/dbraw/zinc/55/99/00/974559900.db2.gz GXKYSQNTXDSFLK-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCOC1 ZINC001172295448 974565345 /nfs/dbraw/zinc/56/53/45/974565345.db2.gz RUDAKZPARQJECP-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC001335073796 1169978919 /nfs/dbraw/zinc/97/89/19/1169978919.db2.gz ZBFWFGVUKFXQGG-KGLIPLIRSA-N 1 0 235.302 2.301 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCS ZINC001172298251 974565530 /nfs/dbraw/zinc/56/55/30/974565530.db2.gz UWHGKSLZMLESER-LLVKDONJSA-N 1 0 234.368 2.399 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cocn1 ZINC001172296545 974565850 /nfs/dbraw/zinc/56/58/50/974565850.db2.gz ATTDMZABTYQXAB-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001172380413 974589996 /nfs/dbraw/zinc/58/99/96/974589996.db2.gz SIOAWDZCPCJKEF-SOUVJXGZSA-N 1 0 234.387 2.062 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172353900 974623443 /nfs/dbraw/zinc/62/34/43/974623443.db2.gz PGXUSDGNDDDFHV-AVGNSLFASA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H](CC(C)C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001172402631 974655446 /nfs/dbraw/zinc/65/54/46/974655446.db2.gz TWVFOJMGMZZSOE-TUAOUCFPSA-N 1 0 244.379 2.321 20 30 BEEDRO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C)CC ZINC001331259446 974663971 /nfs/dbraw/zinc/66/39/71/974663971.db2.gz RIYJLVCFKJGHDE-DGCLKSJQSA-N 1 0 238.375 2.045 20 30 BEEDRO CCOCC[C@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172409981 974671556 /nfs/dbraw/zinc/67/15/56/974671556.db2.gz CTFWXVCYZAAGOI-NSHDSACASA-N 1 0 245.326 2.079 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001172435369 974675627 /nfs/dbraw/zinc/67/56/27/974675627.db2.gz FTDLJNCPUYMKNL-NSHDSACASA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H](C)CCOCC ZINC001172416657 974684645 /nfs/dbraw/zinc/68/46/45/974684645.db2.gz NYYGZZFVPHVEDE-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO C#CCN(CC1CC1)[C@H](C)c1nc(CC)no1 ZINC001331329775 974686003 /nfs/dbraw/zinc/68/60/03/974686003.db2.gz KPMXOUGVIAWCRE-SNVBAGLBSA-N 1 0 233.315 2.038 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)CC ZINC001331428433 974718121 /nfs/dbraw/zinc/71/81/21/974718121.db2.gz XKEDZMROIKTQIK-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](F)CC ZINC001331532797 974749676 /nfs/dbraw/zinc/74/96/76/974749676.db2.gz ICLDYGIAXQSHRW-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO Cc1nocc1C[NH2+][C@@H](C)CCCC#N ZINC001172475731 974772376 /nfs/dbraw/zinc/77/23/76/974772376.db2.gz AKOCIOMSUNXPET-VIFPVBQESA-N 1 0 207.277 2.155 20 30 BEEDRO C[C@H](CCCC#N)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001172477343 974774777 /nfs/dbraw/zinc/77/47/77/974774777.db2.gz YKIYWTIQTMQZFN-OCCSQVGLSA-N 1 0 243.354 2.459 20 30 BEEDRO CCOC(C[NH2+][C@@H](C)CCCC#N)OCC ZINC001172478689 974776055 /nfs/dbraw/zinc/77/60/55/974776055.db2.gz DSALARYNKXUCPV-NSHDSACASA-N 1 0 228.336 2.057 20 30 BEEDRO CCn1ccc(C[NH2+][C@@H](C)CCCC#N)n1 ZINC001172480389 974779009 /nfs/dbraw/zinc/77/90/09/974779009.db2.gz TURDFZKPVXGQKY-NSHDSACASA-N 1 0 220.320 2.075 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC(C)(C)c1cnccn1 ZINC001172480552 974781569 /nfs/dbraw/zinc/78/15/69/974781569.db2.gz VIDAIGWJCOVRCQ-GFCCVEGCSA-N 1 0 246.358 2.426 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCCCCCO ZINC001172481511 974782316 /nfs/dbraw/zinc/78/23/16/974782316.db2.gz VLZJPHXXAJQWOR-GFCCVEGCSA-N 1 0 212.337 2.211 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)CCOCC(C)C ZINC001172482393 974784492 /nfs/dbraw/zinc/78/44/92/974784492.db2.gz YETLBDWDMQFTNA-CQSZACIVSA-N 1 0 221.344 2.006 20 30 BEEDRO C[C@H](CCCC#N)NC(=[NH2+])c1ccc(F)cn1 ZINC001172483486 974786881 /nfs/dbraw/zinc/78/68/81/974786881.db2.gz QTVIEPLSPSIXAN-SECBINFHSA-N 1 0 234.278 2.008 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+][C@@H](C)CCCC#N ZINC001172485522 974789524 /nfs/dbraw/zinc/78/95/24/974789524.db2.gz QZKCJRACDYFAKN-JTQLQIEISA-N 1 0 210.321 2.416 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CCCC#N ZINC001172486146 974790378 /nfs/dbraw/zinc/79/03/78/974790378.db2.gz ZMXMJLPRBATAMT-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1cnn(C)c1 ZINC001172486588 974790608 /nfs/dbraw/zinc/79/06/08/974790608.db2.gz BZLNPTNWTIEYBJ-MNOVXSKESA-N 1 0 220.320 2.153 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1cnn(C)c1 ZINC001172486590 974791257 /nfs/dbraw/zinc/79/12/57/974791257.db2.gz BZLNPTNWTIEYBJ-QWRGUYRKSA-N 1 0 220.320 2.153 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](OC)[C@H](C)CC)C1 ZINC001331727806 974806261 /nfs/dbraw/zinc/80/62/61/974806261.db2.gz IRVSEGCTJAWPER-MGPQQGTHSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001331769974 974816580 /nfs/dbraw/zinc/81/65/80/974816580.db2.gz HLQFSNGQWPPTME-MNOVXSKESA-N 1 0 230.315 2.345 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC001331802879 974824214 /nfs/dbraw/zinc/82/42/14/974824214.db2.gz JMKZDHMDLBDAKI-LLVKDONJSA-N 1 0 205.305 2.116 20 30 BEEDRO COC[C@H]([NH2+][C@@H](C)CCCC#N)C1CC1 ZINC001172487813 974833140 /nfs/dbraw/zinc/83/31/40/974833140.db2.gz NOAWESBDZFVGLU-JQWIXIFHSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C(C)(C)C(C)(C)O ZINC001172488586 974833888 /nfs/dbraw/zinc/83/38/88/974833888.db2.gz UUCVSMMQZSGPMC-JTQLQIEISA-N 1 0 212.337 2.208 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCN1CCC[C@H](F)C1 ZINC001172488814 974833935 /nfs/dbraw/zinc/83/39/35/974833935.db2.gz OLLJTBMRQMOREL-STQMWFEESA-N 1 0 241.354 2.092 20 30 BEEDRO COc1cc(CC[NH2+][C@@H](C)CCCC#N)ccn1 ZINC001172489412 974834559 /nfs/dbraw/zinc/83/45/59/974834559.db2.gz QFBWBKGZDHKQTO-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(C#N)o1 ZINC001172489602 974834708 /nfs/dbraw/zinc/83/47/08/974834708.db2.gz WPBVARSOPXQPEF-SNVBAGLBSA-N 1 0 217.272 2.323 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)C1CCOCC1 ZINC001172492434 974838766 /nfs/dbraw/zinc/83/87/66/974838766.db2.gz LIXOQHDFHXFQAL-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cncn1CCF ZINC001172492652 974839732 /nfs/dbraw/zinc/83/97/32/974839732.db2.gz NHKZHJNTZMTIEQ-LLVKDONJSA-N 1 0 238.310 2.025 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001172493641 974842137 /nfs/dbraw/zinc/84/21/37/974842137.db2.gz NGKGIDZLCOFLAD-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1ccc(CO)cc1 ZINC001172493067 974842880 /nfs/dbraw/zinc/84/28/80/974842880.db2.gz SCSRHLNWMUHSGO-CYBMUJFWSA-N 1 0 246.354 2.393 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001172494377 974844488 /nfs/dbraw/zinc/84/44/88/974844488.db2.gz TVQMTBQCYLNGTP-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001172494402 974844906 /nfs/dbraw/zinc/84/49/06/974844906.db2.gz UBSPEDAQDGXOFX-QWHCGFSZSA-N 1 0 242.338 2.255 20 30 BEEDRO Cc1nc2c(n1[C@H](C)CCCC#N)CC[NH2+]CC2 ZINC001172496361 974845865 /nfs/dbraw/zinc/84/58/65/974845865.db2.gz MEYVVLHWDQDHAT-LLVKDONJSA-N 1 0 246.358 2.135 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001172498632 974846923 /nfs/dbraw/zinc/84/69/23/974846923.db2.gz OURMIIDJDVGCCX-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001172496842 974848035 /nfs/dbraw/zinc/84/80/35/974848035.db2.gz SABWVEIWDAJEDC-RHYQMDGZSA-N 1 0 210.296 2.359 20 30 BEEDRO Cc1noc([C@@H]2CC[N@@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172498840 974850137 /nfs/dbraw/zinc/85/01/37/974850137.db2.gz RNRIKLXQTOUJCX-CMPLNLGQSA-N 1 0 248.330 2.250 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](CCO)C1 ZINC001172499120 974850576 /nfs/dbraw/zinc/85/05/76/974850576.db2.gz AXBQDMNRIMGYAF-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](CC(C)(C)O)[C@H](C)CCCC#N ZINC001172499725 974851055 /nfs/dbraw/zinc/85/10/55/974851055.db2.gz ZUNOSDLPIPKGNM-LLVKDONJSA-N 1 0 212.337 2.162 20 30 BEEDRO C[C@H](CCCC#N)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001172500031 974851073 /nfs/dbraw/zinc/85/10/73/974851073.db2.gz ISBQISHTZQYEAN-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](CCO)C1 ZINC001172499121 974851466 /nfs/dbraw/zinc/85/14/66/974851466.db2.gz AXBQDMNRIMGYAF-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO Cc1nc2c(n1[C@@H](C)CCCC#N)C[NH2+]CC2 ZINC001172498672 974852497 /nfs/dbraw/zinc/85/24/97/974852497.db2.gz PSOAEGILIOWCCB-JTQLQIEISA-N 1 0 232.331 2.092 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOCC1(C)C ZINC001172503965 974856346 /nfs/dbraw/zinc/85/63/46/974856346.db2.gz CTZFPXCYEHEBNF-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO COCC[N@H+](C(C)C)[C@H](C)CCCC#N ZINC001172504322 974857662 /nfs/dbraw/zinc/85/76/62/974857662.db2.gz GLWRNVYLEKQTMH-GFCCVEGCSA-N 1 0 212.337 2.426 20 30 BEEDRO C[C@@H](CCCC#N)N1CC[NH+](CC2CC2)CC1 ZINC001172507525 974861786 /nfs/dbraw/zinc/86/17/86/974861786.db2.gz VSSDHNHWIAQBCN-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCn2cccc2C1 ZINC001172507041 974863500 /nfs/dbraw/zinc/86/35/00/974863500.db2.gz OBVVADXVYVANDZ-GFCCVEGCSA-N 1 0 217.316 2.386 20 30 BEEDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC001172592049 974877798 /nfs/dbraw/zinc/87/77/98/974877798.db2.gz FPSNBAXLYSYVNV-NWDGAFQWSA-N 1 0 238.331 2.002 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC001172592047 974878643 /nfs/dbraw/zinc/87/86/43/974878643.db2.gz FPSNBAXLYSYVNV-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172614806 974887758 /nfs/dbraw/zinc/88/77/58/974887758.db2.gz DWCLEPBCMNEZPS-CHWSQXEVSA-N 1 0 237.343 2.392 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC=CC2)C1 ZINC001331970399 974898392 /nfs/dbraw/zinc/89/83/92/974898392.db2.gz NHHIWTWFSSRATB-TZMCWYRMSA-N 1 0 248.370 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SVDGIOPLWWECHZ-CYBMUJFWSA-N 1 0 230.311 2.340 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@H](CC)C1)C(=O)NO ZINC001173270472 975140064 /nfs/dbraw/zinc/14/00/64/975140064.db2.gz BOPUXMWADGUBCB-YFKTTZPYSA-N 1 0 242.363 2.075 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@H](CC)C1)C(=O)NO ZINC001173270466 975140366 /nfs/dbraw/zinc/14/03/66/975140366.db2.gz BOPUXMWADGUBCB-BJDJZHNGSA-N 1 0 242.363 2.075 20 30 BEEDRO CCSC[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC001173301542 975198630 /nfs/dbraw/zinc/19/86/30/975198630.db2.gz WCPSMLIUYFECIE-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCOC1CCC([NH2+]C2CCOCC2)CC1 ZINC001173308957 975214673 /nfs/dbraw/zinc/21/46/73/975214673.db2.gz QNOHZYJKFCQYOF-UHFFFAOYSA-N 1 0 239.359 2.269 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)CSCC)C1 ZINC001173308256 975217126 /nfs/dbraw/zinc/21/71/26/975217126.db2.gz FNYNHPAFIPRNJV-VXGBXAGGSA-N 1 0 211.374 2.473 20 30 BEEDRO C=CCOC1CCC([NH2+]CC(F)F)CC1 ZINC001173308654 975217236 /nfs/dbraw/zinc/21/72/36/975217236.db2.gz LKLUSHOBSLSCAZ-UHFFFAOYSA-N 1 0 219.275 2.355 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2ccon2)CC1 ZINC001173311161 975219749 /nfs/dbraw/zinc/21/97/49/975219749.db2.gz GXMYXEQSXMCXGX-UHFFFAOYSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCOC1CCC([NH2+]CCC(C)(C)O)CC1 ZINC001173312892 975225579 /nfs/dbraw/zinc/22/55/79/975225579.db2.gz MRLJZHYFKAHDPN-UHFFFAOYSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCOC1CCC([NH2+]C(C)(C)CCO)CC1 ZINC001173313271 975225943 /nfs/dbraw/zinc/22/59/43/975225943.db2.gz SYDZHWGSXSIMDP-UHFFFAOYSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCOC1CCC([NH2+]CCCC#N)CC1 ZINC001173313677 975228380 /nfs/dbraw/zinc/22/83/80/975228380.db2.gz DABRWAVTALAQCE-UHFFFAOYSA-N 1 0 222.332 2.394 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@H](CC1CC1)c1ccccc1 ZINC001332700176 975260812 /nfs/dbraw/zinc/26/08/12/975260812.db2.gz LYBUSXIXLUEGPJ-HUUCEWRRSA-N 1 0 244.338 2.392 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2C[C@@H](OC)C2)CC1 ZINC001173313881 975263782 /nfs/dbraw/zinc/26/37/82/975263782.db2.gz AXGVTHQLNWQVJH-LCKMOKORSA-N 1 0 239.359 2.267 20 30 BEEDRO Cc1cnc(C[NH2+]C2CCC(CC#N)CC2)nc1 ZINC001173324178 975269805 /nfs/dbraw/zinc/26/98/05/975269805.db2.gz ISJGZRYWSDKVEW-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO N#CCC1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC001173324072 975270466 /nfs/dbraw/zinc/27/04/66/975270466.db2.gz HKCSIXCUBHKHBQ-UHFFFAOYSA-N 1 0 236.359 2.354 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC001173325872 975273262 /nfs/dbraw/zinc/27/32/62/975273262.db2.gz RSCIRJMJFMBPGC-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173324690 975273992 /nfs/dbraw/zinc/27/39/92/975273992.db2.gz TWWFVDBKBLCXKR-JXQTWKCFSA-N 1 0 238.375 2.455 20 30 BEEDRO C#CC(C)(C)[NH2+]C1CCC(CC#N)CC1 ZINC001173325029 975274230 /nfs/dbraw/zinc/27/42/30/975274230.db2.gz BSYKGFRLFZYSSS-UHFFFAOYSA-N 1 0 204.317 2.460 20 30 BEEDRO CN1CCC[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325440 975274896 /nfs/dbraw/zinc/27/48/96/975274896.db2.gz IMBXVGJNRYCESF-RUXDESIVSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2cnccn2)CC1 ZINC001173326277 975275152 /nfs/dbraw/zinc/27/51/52/975275152.db2.gz WCNOTPRTQXDTCE-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC001173330309 975277890 /nfs/dbraw/zinc/27/78/90/975277890.db2.gz OHSCBDINCGYZPJ-UHFFFAOYSA-N 1 0 245.326 2.349 20 30 BEEDRO N#CCC1CCC([NH+]2CCC(=O)CC2)CC1 ZINC001173330552 975279421 /nfs/dbraw/zinc/27/94/21/975279421.db2.gz CJCBPBTYSKMDGI-UHFFFAOYSA-N 1 0 220.316 2.124 20 30 BEEDRO N#CCC1CCC([NH2+][C@@H]2CCOC[C@H]2F)CC1 ZINC001173329897 975279564 /nfs/dbraw/zinc/27/95/64/975279564.db2.gz LFVINMPGZYRYLP-FIYWTHMPSA-N 1 0 240.322 2.175 20 30 BEEDRO N#CCC1CCC([NH2+]CCCS)CC1 ZINC001173329052 975279730 /nfs/dbraw/zinc/27/97/30/975279730.db2.gz ZJVOSRMKZCWBDW-UHFFFAOYSA-N 1 0 212.362 2.368 20 30 BEEDRO C[C@@H]1CC[N@@H+](C2CCC(CC#N)CC2)C[C@@H]1O ZINC001173331052 975280863 /nfs/dbraw/zinc/28/08/63/975280863.db2.gz KUKNIRZTPXHFIU-RYSNWHEDSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1COCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173331055 975281034 /nfs/dbraw/zinc/28/10/34/975281034.db2.gz KZOLXMOJCYUPIJ-IYXRBSQSSA-N 1 0 236.359 2.427 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173339087 975284863 /nfs/dbraw/zinc/28/48/63/975284863.db2.gz CLYCTSFYBQYJMY-BPCQOVAHSA-N 1 0 222.332 2.180 20 30 BEEDRO COC/C(C)=C/C[NH+]1CCC(CC#N)CC1 ZINC001332847698 975295762 /nfs/dbraw/zinc/29/57/62/975295762.db2.gz HVGPLBSATTTXQG-UUILKARUSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CCOC1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC001173314577 975300759 /nfs/dbraw/zinc/30/07/59/975300759.db2.gz UEVXKDXHJUTKAB-UHFFFAOYSA-N 1 0 234.343 2.394 20 30 BEEDRO C=CCOC1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001173319664 975306667 /nfs/dbraw/zinc/30/66/67/975306667.db2.gz QVTWZIYHUXCIRZ-UHFFFAOYSA-N 1 0 234.343 2.346 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC001332879814 975307517 /nfs/dbraw/zinc/30/75/17/975307517.db2.gz CRBLFODEKYYVSK-JOYOIKCWSA-N 1 0 239.290 2.383 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1ccc(F)nc1)[C@H]1CCCO1 ZINC001332897459 975313397 /nfs/dbraw/zinc/31/33/97/975313397.db2.gz LQKTUESYTJOUIP-KGYLQXTDSA-N 1 0 248.301 2.052 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC001332946903 975335012 /nfs/dbraw/zinc/33/50/12/975335012.db2.gz PXMZPEDVKRIZGK-GMTAPVOTSA-N 1 0 215.362 2.061 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333001612 975361452 /nfs/dbraw/zinc/36/14/52/975361452.db2.gz KDSNHIARKNZIFX-MMWGEVLESA-N 1 0 213.271 2.231 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C#N)ccc2O)C1 ZINC001227351141 975371032 /nfs/dbraw/zinc/37/10/32/975371032.db2.gz SCFIYGKHACGKHU-GFCCVEGCSA-N 1 0 246.310 2.127 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173438560 975375822 /nfs/dbraw/zinc/37/58/22/975375822.db2.gz QLIQUDDDIRIHMT-NSHDSACASA-N 1 0 225.332 2.110 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+]CC(C)(C)S ZINC001173438890 975377423 /nfs/dbraw/zinc/37/74/23/975377423.db2.gz AKDKVQKYZUAJRT-SNVBAGLBSA-N 1 0 247.404 2.406 20 30 BEEDRO CC1(C[NH2+]C2CCC(C)(C#N)CC2)COC1 ZINC001173587254 975430093 /nfs/dbraw/zinc/43/00/93/975430093.db2.gz VGEQDDQRDRYVCF-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCc2ncccn2)CC1 ZINC001173588672 975431865 /nfs/dbraw/zinc/43/18/65/975431865.db2.gz NVTLSRITYZAGCJ-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO Cc1cnc(C[NH3+])n1C1CCC(C)(C#N)CC1 ZINC001173589335 975432851 /nfs/dbraw/zinc/43/28/51/975432851.db2.gz UXGPIFGCFXLBNL-UHFFFAOYSA-N 1 0 232.331 2.295 20 30 BEEDRO CC(C)N1CC([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC001173586167 975435709 /nfs/dbraw/zinc/43/57/09/975435709.db2.gz KNFMUKQXERBWKJ-UHFFFAOYSA-N 1 0 235.375 2.141 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCCOCC2)CC1 ZINC001173592592 975438570 /nfs/dbraw/zinc/43/85/70/975438570.db2.gz UZERULYDIAUQAW-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592090 975439150 /nfs/dbraw/zinc/43/91/50/975439150.db2.gz FLUCUUKHXWIJAC-LQULJDIASA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592586 975440328 /nfs/dbraw/zinc/44/03/28/975440328.db2.gz USNGSYWCMPLAAQ-KBHBFKLGSA-N 1 0 236.359 2.162 20 30 BEEDRO Cc1nccnc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591454 975441300 /nfs/dbraw/zinc/44/13/00/975441300.db2.gz QUWZTEOPYCSDSF-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001173591990 975441381 /nfs/dbraw/zinc/44/13/81/975441381.db2.gz BHBDFEASLLCIHJ-MOKVOYLWSA-N 1 0 236.359 2.306 20 30 BEEDRO COC(=O)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591334 975443357 /nfs/dbraw/zinc/44/33/57/975443357.db2.gz ZHLLSAPHSVWYEN-ZBOXLXRLSA-N 1 0 238.331 2.000 20 30 BEEDRO CC1(C#N)CCC([N@H+]2C=C(N)C=CC2)CC1 ZINC001173590717 975443673 /nfs/dbraw/zinc/44/36/73/975443673.db2.gz LRNVZLVOLUWNSB-UHFFFAOYSA-N 1 0 217.316 2.131 20 30 BEEDRO CCn1cnc(C[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173591268 975444768 /nfs/dbraw/zinc/44/47/68/975444768.db2.gz OBJPKRDWKYGKLG-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO CCOC1C[NH+](C2CCC(C)(C#N)CC2)C1 ZINC001173594266 975451959 /nfs/dbraw/zinc/45/19/59/975451959.db2.gz XMNDMIPAFRDLDZ-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001173593759 975456073 /nfs/dbraw/zinc/45/60/73/975456073.db2.gz NERUNROIKRYRJH-DNDYEEKYSA-N 1 0 248.370 2.427 20 30 BEEDRO C[C@]1(CO)CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592899 975456392 /nfs/dbraw/zinc/45/63/92/975456392.db2.gz CLCMTNUHMQRUJU-RUXDESIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](CCN1CCCC1)C1CCC(C)(C#N)CC1 ZINC001173597044 975469214 /nfs/dbraw/zinc/46/92/14/975469214.db2.gz FIFYEKSTDCPRSW-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCOCC23CC3)CC1 ZINC001173597806 975472579 /nfs/dbraw/zinc/47/25/79/975472579.db2.gz JBDIJQJTGILJKG-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO CC[N@H+](C1CN(C)C1)C1CCC(C)(C#N)CC1 ZINC001173601661 975479216 /nfs/dbraw/zinc/47/92/16/975479216.db2.gz YBCDQRVHQIGLRC-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCOC3(CC3)C2)CC1 ZINC001173601620 975482488 /nfs/dbraw/zinc/48/24/88/975482488.db2.gz WVVDHOMSTBIIFB-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO C#CCCC[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173627063 975493724 /nfs/dbraw/zinc/49/37/24/975493724.db2.gz KWWFCGAYUSHYAG-STQMWFEESA-N 1 0 237.343 2.111 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173627888 975496847 /nfs/dbraw/zinc/49/68/47/975496847.db2.gz PWSOAOYQYQXKQX-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173654425 975511639 /nfs/dbraw/zinc/51/16/39/975511639.db2.gz RXZFFOKYDYXHNV-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO CC[C@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC001333159177 975518483 /nfs/dbraw/zinc/51/84/83/975518483.db2.gz YOMACXGVDMXAJG-CLRIEMFWSA-N 1 0 236.359 2.019 20 30 BEEDRO CCC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC001333161252 975519724 /nfs/dbraw/zinc/51/97/24/975519724.db2.gz YWSXMHOLSBAUJP-ZIAGYGMSSA-N 1 0 232.327 2.392 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCCSCC1 ZINC001333323570 975656012 /nfs/dbraw/zinc/65/60/12/975656012.db2.gz WDYCVXHFWCGWGJ-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](CCC)OC)C1 ZINC001333372076 975720264 /nfs/dbraw/zinc/72/02/64/975720264.db2.gz UDXISSZQWLBVNK-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO Cc1cc(C#N)cc(O[C@H](C)C[NH+](C)C)c1 ZINC001227835082 975726018 /nfs/dbraw/zinc/72/60/18/975726018.db2.gz HTUJHQIDPMAFSS-LLVKDONJSA-N 1 0 218.300 2.196 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(N(C)C)s2)CCC1 ZINC001333521096 975829438 /nfs/dbraw/zinc/82/94/38/975829438.db2.gz XJJJMYKBVALWKQ-UHFFFAOYSA-N 1 0 249.383 2.245 20 30 BEEDRO N#Cc1ncc(Nc2cc[nH+]cc2)cc1Cl ZINC001173881213 975915944 /nfs/dbraw/zinc/91/59/44/975915944.db2.gz GYDULWNVGQJXLK-UHFFFAOYSA-N 1 0 230.658 2.167 20 30 BEEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)C/C=C(/C)C=C ZINC001277271393 975923858 /nfs/dbraw/zinc/92/38/58/975923858.db2.gz HGSJZFZJZAZWKC-RNQWEJQRSA-N 1 0 248.370 2.017 20 30 BEEDRO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)c(C)cc1C#N ZINC001228145511 975943927 /nfs/dbraw/zinc/94/39/27/975943927.db2.gz ZOZAUWCVQAXRTH-CYBMUJFWSA-N 1 0 230.311 2.258 20 30 BEEDRO Cc1cc(C#N)cc(C#N)c1Nc1cc[nH+]cc1 ZINC001173883750 975953629 /nfs/dbraw/zinc/95/36/29/975953629.db2.gz ZUBXXHJYETVRCD-UHFFFAOYSA-N 1 0 234.262 2.299 20 30 BEEDRO N#Cc1ccc(Nc2cc[nH+]cc2)c(F)c1 ZINC001173883567 975957170 /nfs/dbraw/zinc/95/71/70/975957170.db2.gz MVXYWUWIRCTXJA-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO CC(=O)c1ccc(Nc2cc[nH+]cc2)c(C#N)c1 ZINC001173884218 975971251 /nfs/dbraw/zinc/97/12/51/975971251.db2.gz CJVXYQLGFCGDTH-UHFFFAOYSA-N 1 0 237.262 2.321 20 30 BEEDRO C#Cc1ccc(Nc2cc[nH+]cc2)cc1F ZINC001173885360 975982880 /nfs/dbraw/zinc/98/28/80/975982880.db2.gz WICCQKNIYAXLTN-UHFFFAOYSA-N 1 0 212.227 2.368 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1cc(F)c(C#N)c(F)c1 ZINC001228225129 976004462 /nfs/dbraw/zinc/00/44/62/976004462.db2.gz WRPLOEXNZWGLMD-QMMMGPOBSA-N 1 0 240.253 2.165 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc2c1NCCC2 ZINC001333704903 976014724 /nfs/dbraw/zinc/01/47/24/976014724.db2.gz GKYICNPBSGNCAA-CQSZACIVSA-N 1 0 246.354 2.335 20 30 BEEDRO Cc1ccc(O[C@H](CC#N)C[N+](C)(C)C)nc1C ZINC001228299444 976083015 /nfs/dbraw/zinc/08/30/15/976083015.db2.gz NMJHRIMPCXYBCB-CYBMUJFWSA-N 1 0 248.350 2.066 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)cnn2COC)C1 ZINC001333793889 976088221 /nfs/dbraw/zinc/08/82/21/976088221.db2.gz YOKKWUYZBYEUKI-CYBMUJFWSA-N 1 0 249.358 2.193 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001333812310 976103571 /nfs/dbraw/zinc/10/35/71/976103571.db2.gz QLECZUPMJKWLPE-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C#CC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC001333944889 976181099 /nfs/dbraw/zinc/18/10/99/976181099.db2.gz LNGUVNUHMZWGGY-UHFFFAOYSA-N 1 0 243.354 2.143 20 30 BEEDRO C#Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001334079515 976277322 /nfs/dbraw/zinc/27/73/22/976277322.db2.gz ZRWXGHZDOWDOKE-UHFFFAOYSA-N 1 0 242.322 2.091 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCCO1 ZINC001334093217 976293486 /nfs/dbraw/zinc/29/34/86/976293486.db2.gz KRQWYTIHKLLKAF-QWRGUYRKSA-N 1 0 231.286 2.192 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(F)(F)F)[C@H]1CCCO1 ZINC001334096502 976296626 /nfs/dbraw/zinc/29/66/26/976296626.db2.gz IGACFZMHLWIKCA-VHSXEESVSA-N 1 0 235.249 2.099 20 30 BEEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1ccc(F)nc1 ZINC001334188556 976360401 /nfs/dbraw/zinc/36/04/01/976360401.db2.gz QTBXUOYWHLJUEX-NSHDSACASA-N 1 0 238.306 2.416 20 30 BEEDRO C#CCCC[N@@H+](CCC(=O)OCC)C(C)C ZINC000847084292 1170001017 /nfs/dbraw/zinc/00/10/17/1170001017.db2.gz JJQRQPHPZLRVNE-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001334385030 976480923 /nfs/dbraw/zinc/48/09/23/976480923.db2.gz RNNAWGDVSDGAKW-OWCLPIDISA-N 1 0 243.350 2.297 20 30 BEEDRO N#Cc1ccc(Nc2ccc3[nH+]ccn3c2)cn1 ZINC001174277482 976502542 /nfs/dbraw/zinc/50/25/42/976502542.db2.gz WBQAHZDJGIFSSA-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C=CCc1ccccc1O[C@H]1CC[N@@H+](C)C1 ZINC001228844505 976520638 /nfs/dbraw/zinc/52/06/38/976520638.db2.gz QIGNMPVCRFUZNV-ZDUSSCGKSA-N 1 0 217.312 2.498 20 30 BEEDRO C=CCc1ccccc1OC[C@H]1CN(C)CCO1 ZINC001228847174 976522978 /nfs/dbraw/zinc/52/29/78/976522978.db2.gz RLBZOAMLHPWMMG-CQSZACIVSA-N 1 0 247.338 2.125 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C#N)c(C)c2)C1 ZINC001229213204 976796406 /nfs/dbraw/zinc/79/64/06/976796406.db2.gz NMHBANKRIUHPRL-AWEZNQCLSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1c(C)n(-c2cc[nH+]cc2C)c(N)c1C#N ZINC001174537123 976819461 /nfs/dbraw/zinc/81/94/61/976819461.db2.gz XOZDKTMLCXRYNK-UHFFFAOYSA-N 1 0 226.283 2.251 20 30 BEEDRO CNc1ccc(C#N)cc1Nc1cc[nH+]cc1C ZINC001174539450 976829715 /nfs/dbraw/zinc/82/97/15/976829715.db2.gz FWKCVOYEQUPFIZ-UHFFFAOYSA-N 1 0 238.294 2.469 20 30 BEEDRO Cc1cc(Nc2ncc(C#N)cc2Cl)cc[nH+]1 ZINC001174650879 976932782 /nfs/dbraw/zinc/93/27/82/976932782.db2.gz DTGOBGCSXPQYBN-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO Cc1cc(Nc2nc(C)c(C#N)cc2C#N)cc[nH+]1 ZINC001174653662 976938729 /nfs/dbraw/zinc/93/87/29/976938729.db2.gz JJEMFDNDFWSMEG-UHFFFAOYSA-N 1 0 249.277 2.002 20 30 BEEDRO Cc1coc(Nc2cc[nH+]c(C)c2)c1C#N ZINC001174654700 976944935 /nfs/dbraw/zinc/94/49/35/976944935.db2.gz KZSNABFXJUUJNZ-UHFFFAOYSA-N 1 0 213.240 2.329 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1(C)CC1 ZINC001335334954 976973518 /nfs/dbraw/zinc/97/35/18/976973518.db2.gz WWBQZIVJXBNEBP-MNOVXSKESA-N 1 0 224.348 2.065 20 30 BEEDRO C/C(=N\O)c1ccccc1OC1CC[NH+](C)CC1 ZINC001229742398 976974449 /nfs/dbraw/zinc/97/44/49/976974449.db2.gz ZHABCDLIIZMUJX-RVDMUPIBSA-N 1 0 248.326 2.358 20 30 BEEDRO C=C(C)n1c(N)[nH+]c2ccc(OC)cc21 ZINC001174786329 977011550 /nfs/dbraw/zinc/01/15/50/977011550.db2.gz CIYXLSWWISCOAJ-UHFFFAOYSA-N 1 0 203.245 2.118 20 30 BEEDRO C=C(C)Nc1ccnn1-c1cc[nH+]cc1 ZINC001174787578 977021741 /nfs/dbraw/zinc/02/17/41/977021741.db2.gz BOYHPCYYTHRNSO-UHFFFAOYSA-N 1 0 200.245 2.213 20 30 BEEDRO C=C(C)Nc1cccc(N2CC[NH+](C)CC2)c1 ZINC001174789710 977032247 /nfs/dbraw/zinc/03/22/47/977032247.db2.gz SOYWMAJGLVNAJY-UHFFFAOYSA-N 1 0 231.343 2.384 20 30 BEEDRO C=CC[NH2+]CCCN(Cc1ccccc1)C(C)=O ZINC001277447729 977119213 /nfs/dbraw/zinc/11/92/13/977119213.db2.gz PLWULCUQVMAPSM-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO COC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC001335566028 977144311 /nfs/dbraw/zinc/14/43/11/977144311.db2.gz RHACXZOMODFYTR-QWHCGFSZSA-N 1 0 226.364 2.434 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)n1 ZINC001335561499 977147859 /nfs/dbraw/zinc/14/78/59/977147859.db2.gz TTYGUPMFBARMLB-YWPYICTPSA-N 1 0 241.338 2.479 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCc3n[nH]cc3C2)CC1 ZINC001335581783 977154897 /nfs/dbraw/zinc/15/48/97/977154897.db2.gz KRJFOUJDMLFVQR-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO N#C[C@H]1CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC000260022525 977158110 /nfs/dbraw/zinc/15/81/10/977158110.db2.gz MTLQACHRLQAFRR-NSHDSACASA-N 1 0 203.289 2.140 20 30 BEEDRO C[C@@H](Oc1ccc2[nH]c(N)[nH+]c2c1)[C@H](C)S ZINC001230515238 977226751 /nfs/dbraw/zinc/22/67/51/977226751.db2.gz HOXXICLVFPFVPV-RQJHMYQMSA-N 1 0 237.328 2.231 20 30 BEEDRO CCC#C[C@@H](C)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230514713 977228058 /nfs/dbraw/zinc/22/80/58/977228058.db2.gz CKOLYCQBOSKYGK-SECBINFHSA-N 1 0 229.283 2.326 20 30 BEEDRO C#C[C@H](CCC)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230515635 977228169 /nfs/dbraw/zinc/22/81/69/977228169.db2.gz KPIKTYPIBABDDG-SECBINFHSA-N 1 0 229.283 2.326 20 30 BEEDRO C#CC[C@@H](CC)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230515648 977228219 /nfs/dbraw/zinc/22/82/19/977228219.db2.gz LAODHNVXCKTWOO-SECBINFHSA-N 1 0 229.283 2.326 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH2+]CCC ZINC001491556292 977254212 /nfs/dbraw/zinc/25/42/12/977254212.db2.gz DDMFMPBSVYJSAK-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)C(=O)c1ccc(O)cc1 ZINC001335829805 977308411 /nfs/dbraw/zinc/30/84/11/977308411.db2.gz HEKZHBFUZLZNJG-LLVKDONJSA-N 1 0 233.311 2.329 20 30 BEEDRO C=CC[C@@H](CCC)Oc1n[nH]cc2nncc1-2 ZINC001230900359 977368271 /nfs/dbraw/zinc/36/82/71/977368271.db2.gz HKKAPXZLXFCYMY-VIFPVBQESA-N 1 0 232.287 2.477 20 30 BEEDRO C=CC[C@@H](Oc1n[nH]cc2nncc1-2)C(C)C ZINC001230899815 977368803 /nfs/dbraw/zinc/36/88/03/977368803.db2.gz AMYIQYYWVZKYAS-LLVKDONJSA-N 1 0 232.287 2.332 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)n[nH]c2C)CC1 ZINC001335949108 977382392 /nfs/dbraw/zinc/38/23/92/977382392.db2.gz KXWUIBXWZQMFHJ-JOCQHMNTSA-N 1 0 231.343 2.308 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001336020927 977430379 /nfs/dbraw/zinc/43/03/79/977430379.db2.gz OZYSQZPLFYDFER-HOTGVXAUSA-N 1 0 245.366 2.372 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cncc(C#N)c1 ZINC000721585249 977501281 /nfs/dbraw/zinc/50/12/81/977501281.db2.gz HDPONNFXCOONCW-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C=CCCC[N@H+](C)CCCNC(=O)C(C)(F)F ZINC001231177237 977527261 /nfs/dbraw/zinc/52/72/61/977527261.db2.gz WHZNDUCLKVHQDY-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCCC(F)F ZINC001336136344 977530165 /nfs/dbraw/zinc/53/01/65/977530165.db2.gz PVLDRMFUSKWKOW-SECBINFHSA-N 1 0 215.247 2.065 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)CCC ZINC001231204680 977538540 /nfs/dbraw/zinc/53/85/40/977538540.db2.gz SKWUGLFVNHVZDD-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001336201080 977560523 /nfs/dbraw/zinc/56/05/23/977560523.db2.gz JXYLGPGIAKKSFP-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H](CC#N)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721614496 977571404 /nfs/dbraw/zinc/57/14/04/977571404.db2.gz MPNAEZHSTXMNHQ-GJZGRUSLSA-N 1 0 243.354 2.064 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001336216405 977576490 /nfs/dbraw/zinc/57/64/90/977576490.db2.gz IHFMDSQNSDAGRD-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccc(CC#N)cc2)C1 ZINC001175576620 977581355 /nfs/dbraw/zinc/58/13/55/977581355.db2.gz NBKZHXMVJLMCCA-UHFFFAOYSA-N 1 0 227.311 2.384 20 30 BEEDRO C#Cc1cc(NC2=CCC[N@@H+](C)C2)ccc1F ZINC001175578721 977593236 /nfs/dbraw/zinc/59/32/36/977593236.db2.gz IWNYFCLQTWAYNN-UHFFFAOYSA-N 1 0 230.286 2.438 20 30 BEEDRO COc1ccc(C#N)cc1NC1=CCC[N@H+](C)C1 ZINC001175578050 977593777 /nfs/dbraw/zinc/59/37/77/977593777.db2.gz BWBVAZLXYWCWLG-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO COc1ccc(NC2=CCC[N@H+](C)C2)cc1C#N ZINC001175578004 977598198 /nfs/dbraw/zinc/59/81/98/977598198.db2.gz AFKDMQXIRPBBHU-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn(CC)nc1C ZINC001336255233 977600529 /nfs/dbraw/zinc/60/05/29/977600529.db2.gz ZPAIJLAYRUJIHV-UHFFFAOYSA-N 1 0 219.332 2.105 20 30 BEEDRO C#CC1CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231519964 977623710 /nfs/dbraw/zinc/62/37/10/977623710.db2.gz NPXZWXQYSDBGKK-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]1C ZINC001231617262 977649317 /nfs/dbraw/zinc/64/93/17/977649317.db2.gz RBRQFZWTULBQKW-SNVBAGLBSA-N 1 0 216.284 2.161 20 30 BEEDRO C#Cc1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC001231655402 977663533 /nfs/dbraw/zinc/66/35/33/977663533.db2.gz CKFQLDKSHQZBAA-UHFFFAOYSA-N 1 0 224.307 2.403 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001231655966 977666881 /nfs/dbraw/zinc/66/68/81/977666881.db2.gz CWAQLODULPQFGT-KKUMJFAQSA-N 1 0 229.298 2.458 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H](CO)CC2)c1 ZINC001231656030 977667517 /nfs/dbraw/zinc/66/75/17/977667517.db2.gz DGVDAGJGBOHTIN-OAHLLOKOSA-N 1 0 243.350 2.262 20 30 BEEDRO C#Cc1cccc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c1 ZINC001231658555 977670809 /nfs/dbraw/zinc/67/08/09/977670809.db2.gz YZWVVEXSDQZODP-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO Cc1cc(C)c(C[NH+]2CC(CC#N)C2)c(O)c1 ZINC001231842728 977759319 /nfs/dbraw/zinc/75/93/19/977759319.db2.gz PQXHPPOMDBKQCY-UHFFFAOYSA-N 1 0 230.311 2.355 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC001231912452 977799898 /nfs/dbraw/zinc/79/98/98/977799898.db2.gz GYLHCDRACWLOEP-UHFFFAOYSA-N 1 0 209.676 2.111 20 30 BEEDRO C=CC[N@@H+](CCCC(F)(F)F)CCOC ZINC001336657709 977833970 /nfs/dbraw/zinc/83/39/70/977833970.db2.gz IDPOMSOBSVVTLT-UHFFFAOYSA-N 1 0 225.254 2.463 20 30 BEEDRO N#Cc1ccc(Nc2ccc(C[NH3+])cc2)cn1 ZINC001175966400 977836772 /nfs/dbraw/zinc/83/67/72/977836772.db2.gz OJMLDEXKJMNVAJ-UHFFFAOYSA-N 1 0 224.267 2.156 20 30 BEEDRO N#CC1CCN(Cc2cc3c[nH+]ccc3[nH]2)CC1 ZINC001232011997 977837561 /nfs/dbraw/zinc/83/75/61/977837561.db2.gz RYBGMYXUEGWFTD-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO N#Cc1cccc(O)c1Nc1ccc(C[NH3+])cc1 ZINC001175971763 977840076 /nfs/dbraw/zinc/84/00/76/977840076.db2.gz OCEBELIWYLRVOC-UHFFFAOYSA-N 1 0 239.278 2.466 20 30 BEEDRO C#Cc1cccc(Nc2c[nH+]c(C)n2C)c1 ZINC001175974573 977844322 /nfs/dbraw/zinc/84/43/22/977844322.db2.gz ZSIFIRZYAXNNLN-UHFFFAOYSA-N 1 0 211.268 2.453 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Nc2cc(F)cc(C)n2)C1 ZINC001336710510 977874842 /nfs/dbraw/zinc/87/48/42/977874842.db2.gz JFIATZMUXIWVRY-CYBMUJFWSA-N 1 0 247.317 2.039 20 30 BEEDRO CC1([NH2+]Cc2cccc(F)c2C#N)CC1 ZINC001336719593 977880121 /nfs/dbraw/zinc/88/01/21/977880121.db2.gz CCLDKLSITKMFAB-UHFFFAOYSA-N 1 0 204.248 2.339 20 30 BEEDRO N#Cc1ncc(Cl)cc1Nc1[nH]cc[nH+]1 ZINC001176082398 977880817 /nfs/dbraw/zinc/88/08/17/977880817.db2.gz IXBXTJYIYGUNKI-UHFFFAOYSA-N 1 0 219.635 2.073 20 30 BEEDRO N#Cc1cc(F)ccc1Nc1[nH]cc[nH+]1 ZINC001176084396 977883955 /nfs/dbraw/zinc/88/39/55/977883955.db2.gz NUHBQAHZXHVPND-UHFFFAOYSA-N 1 0 202.192 2.164 20 30 BEEDRO N#Cc1cc(F)cc(F)c1Nc1[nH]cc[nH+]1 ZINC001176085489 977887736 /nfs/dbraw/zinc/88/77/36/977887736.db2.gz JRFJJOQEYPUIHD-UHFFFAOYSA-N 1 0 220.182 2.303 20 30 BEEDRO Cc1cc(C#N)c(F)cc1Nc1[nH]cc[nH+]1 ZINC001176084995 977888300 /nfs/dbraw/zinc/88/83/00/977888300.db2.gz AMKJJPCCLXMKSN-UHFFFAOYSA-N 1 0 216.219 2.473 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC001336734325 977893726 /nfs/dbraw/zinc/89/37/26/977893726.db2.gz XICTWXAMTUKMIM-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=C(C)C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001336733432 977894909 /nfs/dbraw/zinc/89/49/09/977894909.db2.gz QPZJCVWBDRQMRI-UHFFFAOYSA-N 1 0 236.290 2.320 20 30 BEEDRO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C=C1CCC1 ZINC001277629978 977939879 /nfs/dbraw/zinc/93/98/79/977939879.db2.gz UFELYTNJFHVBRD-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001336784466 977953265 /nfs/dbraw/zinc/95/32/65/977953265.db2.gz GUVUWXXTPZPZGC-FZMZJTMJSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001336783104 977956784 /nfs/dbraw/zinc/95/67/84/977956784.db2.gz DOIAUETVTOOPJF-TZMCWYRMSA-N 1 0 219.328 2.144 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@H]2Nc1cc[nH+]cc1 ZINC001336909344 978047171 /nfs/dbraw/zinc/04/71/71/978047171.db2.gz MKUXWUUNXVEWHU-OAHLLOKOSA-N 1 0 235.290 2.475 20 30 BEEDRO CO[C@@H]1CCCC(=Nn2cccn2)CC1 ZINC001336982135 978103386 /nfs/dbraw/zinc/10/33/86/978103386.db2.gz MVWAYNPIFYIUSQ-LLVKDONJSA-N 1 0 207.277 2.066 20 30 BEEDRO C=CCn1cc(Nc2cc[nH+]c(CC)c2)cn1 ZINC001176544159 978107480 /nfs/dbraw/zinc/10/74/80/978107480.db2.gz IMFFHABUJUVYQK-UHFFFAOYSA-N 1 0 228.299 2.192 20 30 BEEDRO C=CCn1cc(Nc2ccc3[nH+]ccn3c2)cn1 ZINC001176544147 978107872 /nfs/dbraw/zinc/10/78/72/978107872.db2.gz ZBUPYRAGVHIWQQ-UHFFFAOYSA-N 1 0 239.282 2.460 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001337011156 978125359 /nfs/dbraw/zinc/12/53/59/978125359.db2.gz FUPUQGRMPDWLBB-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232476051 978127425 /nfs/dbraw/zinc/12/74/25/978127425.db2.gz WJEZQZZQEFFHHM-NSHDSACASA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#N)ccn2)C1 ZINC001232478973 978130847 /nfs/dbraw/zinc/13/08/47/978130847.db2.gz LUYWJNCPJYLFMT-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#N)ccn2)C1 ZINC001232478979 978130856 /nfs/dbraw/zinc/13/08/56/978130856.db2.gz LUYWJNCPJYLFMT-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C#Cc1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)nc1 ZINC001337049084 978144430 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/nfs/dbraw/zinc/33/71/44/978337144.db2.gz SOXNBMJVCBUSJO-LLVKDONJSA-N 1 0 233.290 2.277 20 30 BEEDRO Cc1ccc(CN2CCCO[C@H](C)C2)c(C#N)c1 ZINC001232962990 978364528 /nfs/dbraw/zinc/36/45/28/978364528.db2.gz WSDDQBPUJJHBQJ-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CC2(C)COC2)c(C#N)c1 ZINC001232966328 978371638 /nfs/dbraw/zinc/37/16/38/978371638.db2.gz LGUORPIHVCZURD-UHFFFAOYSA-N 1 0 244.338 2.335 20 30 BEEDRO C=C(Cl)C[NH2+]CCCCCCNC(=O)CC ZINC001177683416 978414115 /nfs/dbraw/zinc/41/41/15/978414115.db2.gz ZDUFYTRNVJOECJ-UHFFFAOYSA-N 1 0 246.782 2.415 20 30 BEEDRO C=C(C)C[NH2+]CCCCCCNC(=O)CC ZINC001177685864 978414509 /nfs/dbraw/zinc/41/45/09/978414509.db2.gz FPKSFMLJFCBKEN-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C=C(C)C ZINC001277752791 978417288 /nfs/dbraw/zinc/41/72/88/978417288.db2.gz SSASDIWVQHURFF-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO COCC[C@H]1CCCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233043150 978426752 /nfs/dbraw/zinc/42/67/52/978426752.db2.gz AGCCDAHOYHVPIO-CYBMUJFWSA-N 1 0 247.342 2.277 20 30 BEEDRO N#Cc1cc[nH]c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001233043286 978427409 /nfs/dbraw/zinc/42/74/09/978427409.db2.gz HLLGCVUUOOCNHJ-TXEJJXNPSA-N 1 0 215.300 2.118 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@H]1C ZINC001177819214 978431449 /nfs/dbraw/zinc/43/14/49/978431449.db2.gz OERKIOBLLXEAPR-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233049636 978439405 /nfs/dbraw/zinc/43/94/05/978439405.db2.gz RVADTCPMNUCYGT-SNVBAGLBSA-N 1 0 203.289 2.118 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC001337648300 978441600 /nfs/dbraw/zinc/44/16/00/978441600.db2.gz DENRIAUANSXQEM-QWHCGFSZSA-N 1 0 207.317 2.372 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001337650248 978443884 /nfs/dbraw/zinc/44/38/84/978443884.db2.gz POXJTAGYPSUJHC-HNNXBMFYSA-N 1 0 242.322 2.335 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(O)c2F)CC1 ZINC001233054820 978446902 /nfs/dbraw/zinc/44/69/02/978446902.db2.gz ZQZJXGPBWKQPEG-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001337678440 978458666 /nfs/dbraw/zinc/45/86/66/978458666.db2.gz DMULGEDXWNCYON-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#Cc1ccc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc1 ZINC001337885623 978546576 /nfs/dbraw/zinc/54/65/76/978546576.db2.gz UKJGXRLAYBKTGQ-AAEUAGOBSA-N 1 0 241.338 2.100 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CCC=C)[C@H]1C ZINC001178311387 978550089 /nfs/dbraw/zinc/55/00/89/978550089.db2.gz AZXSYFFFABQPRS-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)c(F)cc1N ZINC001233380932 978594763 /nfs/dbraw/zinc/59/47/63/978594763.db2.gz JQMWODWKQOWFCK-UHFFFAOYSA-N 1 0 212.243 2.165 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233500505 978615071 /nfs/dbraw/zinc/61/50/71/978615071.db2.gz JSXWASUFIDKCPS-HSBSLETESA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C/C ZINC001233569800 978628293 /nfs/dbraw/zinc/62/82/93/978628293.db2.gz MDJGYDACQSLTJI-XEVNVYFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc2c1CCOC2 ZINC001338187973 978629818 /nfs/dbraw/zinc/62/98/18/978629818.db2.gz PBHZVDHNGNTJAL-CQSZACIVSA-N 1 0 247.338 2.050 20 30 BEEDRO C=CCO[C@@H]1CCN(c2cccc(C)n2)C1 ZINC001338243897 978643687 /nfs/dbraw/zinc/64/36/87/978643687.db2.gz MMGACOIXTXEWQZ-GFCCVEGCSA-N 1 0 218.300 2.171 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000722020013 978650704 /nfs/dbraw/zinc/65/07/04/978650704.db2.gz MBJICSLEJIOORJ-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](CC)Cc1cccs1 ZINC001338287629 978653713 /nfs/dbraw/zinc/65/37/13/978653713.db2.gz GJDDRSXVQIEJQP-NEPJUHHUSA-N 1 0 237.368 2.043 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001338293396 978655574 /nfs/dbraw/zinc/65/55/74/978655574.db2.gz HXMOXTQVGMEDEH-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N(CCC)CC[NH+](C)C ZINC001338403881 978675452 /nfs/dbraw/zinc/67/54/52/978675452.db2.gz NJCHMLPDUBBNFM-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)C ZINC001277804982 978687648 /nfs/dbraw/zinc/68/76/48/978687648.db2.gz PBCNKWLRJMFEBZ-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233921996 978730334 /nfs/dbraw/zinc/73/03/34/978730334.db2.gz XKFIECCQOIXYNU-NSHDSACASA-N 1 0 236.702 2.295 20 30 BEEDRO C#Cc1ccc(OC2CC[NH+](C3CC3)CC2)nc1 ZINC001233966609 978743590 /nfs/dbraw/zinc/74/35/90/978743590.db2.gz AHMNFUYGFUVGFL-UHFFFAOYSA-N 1 0 242.322 2.069 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)c1cc[nH]c1 ZINC001277827494 978764770 /nfs/dbraw/zinc/76/47/70/978764770.db2.gz XDURBALRRUEVOS-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CCCCCCN1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001206404418 978785812 /nfs/dbraw/zinc/78/58/12/978785812.db2.gz KVPIIRBNGUPNTD-VXGBXAGGSA-N 1 0 214.328 2.104 20 30 BEEDRO C=CCCCCCCN1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001206405381 978793637 /nfs/dbraw/zinc/79/36/37/978793637.db2.gz QCOMNMIIJALBNF-STQMWFEESA-N 1 0 228.355 2.494 20 30 BEEDRO CC[N@H+](CCC#N)[C@@H]1CCC[C@H](OC)C1 ZINC000070329024 978836613 /nfs/dbraw/zinc/83/66/13/978836613.db2.gz HSBRHOBXVAPMRX-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C#Cc1ccc(NCC[N@@H+](C)[C@H](C)CC)nc1 ZINC001339560713 978871429 /nfs/dbraw/zinc/87/14/29/978871429.db2.gz CNOYSPXEGMSKFG-GFCCVEGCSA-N 1 0 231.343 2.205 20 30 BEEDRO C#Cc1ccc(N[C@H](CC)C[NH+]2CCCC2)nc1 ZINC001339579749 978873787 /nfs/dbraw/zinc/87/37/87/978873787.db2.gz WGDXUHMXXPYTKZ-CQSZACIVSA-N 1 0 243.354 2.349 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)/C(C)=C/CC ZINC001234941451 978934065 /nfs/dbraw/zinc/93/40/65/978934065.db2.gz FAWMJWBWTNCLCD-MDWZMJQESA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC001339922612 978939680 /nfs/dbraw/zinc/93/96/80/978939680.db2.gz JMIMQOUKJTULEK-AGIUHOORSA-N 1 0 238.375 2.365 20 30 BEEDRO C=C[C@@H](C)NC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001340079942 978966782 /nfs/dbraw/zinc/96/67/82/978966782.db2.gz RAANIZDKTUCZDM-DGCLKSJQSA-N 1 0 238.375 2.222 20 30 BEEDRO CCCCCCCCN1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235146961 978980413 /nfs/dbraw/zinc/98/04/13/978980413.db2.gz OXBFIDGPYIRLHB-STQMWFEESA-N 1 0 210.365 2.380 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC(C)(C)CCC[NH3+] ZINC001340163684 978984972 /nfs/dbraw/zinc/98/49/72/978984972.db2.gz LFQNGHNNEPNKQW-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001181038453 978987125 /nfs/dbraw/zinc/98/71/25/978987125.db2.gz AJNFRQSJOUDIQY-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001181043409 978990046 /nfs/dbraw/zinc/99/00/46/978990046.db2.gz NWQYAWCMHQVNJX-GXTWGEPZSA-N 1 0 233.359 2.470 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC001340499374 979029873 /nfs/dbraw/zinc/02/98/73/979029873.db2.gz SEDWAYVBTPHFMY-NSHDSACASA-N 1 0 226.364 2.221 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)C[C@H](F)CC ZINC001235451206 979048138 /nfs/dbraw/zinc/04/81/38/979048138.db2.gz DPGPCZBSRFEQIR-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CC[C@H](C)F ZINC001235452205 979048466 /nfs/dbraw/zinc/04/84/66/979048466.db2.gz WRGOUFMZTRTHGL-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)C[C@H](C)CC ZINC001235451496 979050291 /nfs/dbraw/zinc/05/02/91/979050291.db2.gz KTVPZSROEQUGKC-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO N#Cc1cccc(C[NH+]2CCC(F)CC2)c1 ZINC000689906194 979053182 /nfs/dbraw/zinc/05/31/82/979053182.db2.gz PQGUVICNODHYPN-UHFFFAOYSA-N 1 0 218.275 2.492 20 30 BEEDRO C[C@@H]1CC[N@@H+]1Cc1ccccc1CC#N ZINC001235511058 979060271 /nfs/dbraw/zinc/06/02/71/979060271.db2.gz GAXDGTQIXLDNAQ-LLVKDONJSA-N 1 0 200.285 2.347 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCC(F)CC2)cc1 ZINC000689907783 979060954 /nfs/dbraw/zinc/06/09/54/979060954.db2.gz USIHRTIZXWRHKS-AWEZNQCLSA-N 1 0 248.301 2.026 20 30 BEEDRO CC(C)[N@H+](CCCO)Cc1ccccc1CC#N ZINC001235523652 979063613 /nfs/dbraw/zinc/06/36/13/979063613.db2.gz STVNOOGJWQTEDR-UHFFFAOYSA-N 1 0 246.354 2.345 20 30 BEEDRO N#CCc1ccccc1CN(C1CC1)C1COC1 ZINC001235529757 979071295 /nfs/dbraw/zinc/07/12/95/979071295.db2.gz PFZWKMROBGTIFR-UHFFFAOYSA-N 1 0 242.322 2.116 20 30 BEEDRO C[N@H+](CCF)Cc1ccccc1CC#N ZINC001235526987 979072588 /nfs/dbraw/zinc/07/25/88/979072588.db2.gz IHLPGSKRQOISIY-UHFFFAOYSA-N 1 0 206.264 2.154 20 30 BEEDRO CC[C@H]1COCCN1Cc1ccccc1CC#N ZINC001235527889 979074596 /nfs/dbraw/zinc/07/45/96/979074596.db2.gz LRDQALIYXHLPEA-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C(C)CCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC001340772789 979102664 /nfs/dbraw/zinc/10/26/64/979102664.db2.gz XPMVYUJGWCHYAT-FRRDWIJNSA-N 1 0 238.375 2.282 20 30 BEEDRO C=CC[NH2+]CCN(C)CCCc1ccccc1 ZINC001235670774 979114476 /nfs/dbraw/zinc/11/44/76/979114476.db2.gz ZDISNKSGYWBWJV-UHFFFAOYSA-N 1 0 232.371 2.327 20 30 BEEDRO C[C@@H]([NH3+])CN1CCC(c2cccc(C#N)c2)CC1 ZINC001235718404 979133011 /nfs/dbraw/zinc/13/30/11/979133011.db2.gz GTCDHKYSLHZALU-GFCCVEGCSA-N 1 0 243.354 2.085 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001340887947 979140207 /nfs/dbraw/zinc/14/02/07/979140207.db2.gz ZDYXUCACNZABBK-CYBMUJFWSA-N 1 0 221.344 2.027 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCC(C)C)C1 ZINC001181543722 979149614 /nfs/dbraw/zinc/14/96/14/979149614.db2.gz VPOCAQSMRBPHNS-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340908319 979153834 /nfs/dbraw/zinc/15/38/34/979153834.db2.gz ZQXAUYPYHLNHRM-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC001340929847 979166188 /nfs/dbraw/zinc/16/61/88/979166188.db2.gz LXQBRGZMOBBJJY-CIQGVGRVSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CC(C)C ZINC001340974591 979180505 /nfs/dbraw/zinc/18/05/05/979180505.db2.gz XLIXVELZQFYKHN-VXGBXAGGSA-N 1 0 226.364 2.221 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC(C)C ZINC001340974588 979180674 /nfs/dbraw/zinc/18/06/74/979180674.db2.gz XLIXVELZQFYKHN-NWDGAFQWSA-N 1 0 226.364 2.221 20 30 BEEDRO CC(C)=CCC[C@@H](C)CN1CCN[C@H](C#N)C1 ZINC001235912462 979200520 /nfs/dbraw/zinc/20/05/20/979200520.db2.gz FEKRIENTACSIFT-ZIAGYGMSSA-N 1 0 235.375 2.166 20 30 BEEDRO CCCC[C@H](CC)CN1CCN[C@H](C#N)C1 ZINC001235912610 979203796 /nfs/dbraw/zinc/20/37/96/979203796.db2.gz GNPINVHFBSTAQH-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCCCCCCCN(C)C1C[NH2+]C1 ZINC001235920423 979204255 /nfs/dbraw/zinc/20/42/55/979204255.db2.gz CBNXWDNYQWWKCB-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO CCCCCCCCCCN1C[C@@H](O)[C@@H]([NH3+])C1 ZINC001235958065 979229567 /nfs/dbraw/zinc/22/95/67/979229567.db2.gz DVHHLNGWSIJHKX-UONOGXRCSA-N 1 0 242.407 2.131 20 30 BEEDRO CCCCN(CC#N)C[C@H]([NH3+])Cc1ccccc1 ZINC001235962701 979231409 /nfs/dbraw/zinc/23/14/09/979231409.db2.gz OAQZVUMPVOUNIA-OAHLLOKOSA-N 1 0 245.370 2.182 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@@H]1CCC[NH2+]1 ZINC001235963067 979233161 /nfs/dbraw/zinc/23/31/61/979233161.db2.gz SWEHZYREJASWFQ-HNNXBMFYSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@H](C)CC ZINC001341337517 979340963 /nfs/dbraw/zinc/34/09/63/979340963.db2.gz TUBZORYNOBDWKT-NEPJUHHUSA-N 1 0 226.364 2.317 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](CC)CCC ZINC001341397235 979372826 /nfs/dbraw/zinc/37/28/26/979372826.db2.gz CPIPNJRWOHZWIX-NWDGAFQWSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC001341401678 979374816 /nfs/dbraw/zinc/37/48/16/979374816.db2.gz OGIWZFSEWPPODI-LBPRGKRZSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCN(CC)C(=O)c1coc(C[NH3+])c1 ZINC001341485996 979428952 /nfs/dbraw/zinc/42/89/52/979428952.db2.gz UDUKBQVTGUEGPC-UHFFFAOYSA-N 1 0 236.315 2.167 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)CC ZINC001341492683 979435795 /nfs/dbraw/zinc/43/57/95/979435795.db2.gz HRVOODDRWXIHPC-UTUOFQBUSA-N 1 0 226.364 2.221 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)CCC ZINC001277980216 979453252 /nfs/dbraw/zinc/45/32/52/979453252.db2.gz TVGXFRCQSJTYGQ-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001182268924 979484174 /nfs/dbraw/zinc/48/41/74/979484174.db2.gz YXELQECNYWCNFX-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001182351573 979502932 /nfs/dbraw/zinc/50/29/32/979502932.db2.gz LPWRTMYRHMXZLH-LLBKUYECSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC001341649313 979506829 /nfs/dbraw/zinc/50/68/29/979506829.db2.gz ICPMKWUBAZWNCG-LBPRGKRZSA-N 1 0 234.299 2.014 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC001341690181 979527406 /nfs/dbraw/zinc/52/74/06/979527406.db2.gz UZZLZQMOVBIECN-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1ccnc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236343889 979548031 /nfs/dbraw/zinc/54/80/31/979548031.db2.gz TXJOKWDSEJBGTO-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001341849197 979574670 /nfs/dbraw/zinc/57/46/70/979574670.db2.gz UNCJOFLTUYJGIP-MNOVXSKESA-N 1 0 226.364 2.078 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2ccnc(C#N)n2)c1 ZINC001236415212 979586705 /nfs/dbraw/zinc/58/67/05/979586705.db2.gz RHCSMDIAHKRBNR-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cc(C#N)ncn2)c1 ZINC001236414800 979588186 /nfs/dbraw/zinc/58/81/86/979588186.db2.gz SPVZTHKYTPRBJX-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cncnc2C#N)c1 ZINC001236419231 979589599 /nfs/dbraw/zinc/58/95/99/979589599.db2.gz MHNHWHVYRZYHIF-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO CC(C)n1ncc(C#N)c1Nc1cc[nH+]c(N)c1 ZINC001206535678 979612983 /nfs/dbraw/zinc/61/29/83/979612983.db2.gz NEQOGBNBKOZFID-UHFFFAOYSA-N 1 0 242.286 2.056 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001182918904 979672526 /nfs/dbraw/zinc/67/25/26/979672526.db2.gz TUAGCMDQAHSXHK-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CCCC)C1 ZINC001182946893 979673346 /nfs/dbraw/zinc/67/33/46/979673346.db2.gz FYFMVBVEDWXPMQ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC001182893097 979674285 /nfs/dbraw/zinc/67/42/85/979674285.db2.gz FDVSRNHEGWZQMY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H]1CC[C@@H](CCC(C)C)C1 ZINC001183103054 979731943 /nfs/dbraw/zinc/73/19/43/979731943.db2.gz IXAIAUCDTSCDSH-MCIONIFRSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H]1CC[C@H](CCC(C)C)C1 ZINC001183103057 979732985 /nfs/dbraw/zinc/73/29/85/979732985.db2.gz IXAIAUCDTSCDSH-MJBXVCDLSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H](C)CCCCCC=C ZINC001183102748 979733991 /nfs/dbraw/zinc/73/39/91/979733991.db2.gz GBLLDGSVPWOWDI-CHWSQXEVSA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC001342326054 979768241 /nfs/dbraw/zinc/76/82/41/979768241.db2.gz OZJJXEWPOQRMTB-AWEZNQCLSA-N 1 0 249.358 2.241 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC001342326058 979769686 /nfs/dbraw/zinc/76/96/86/979769686.db2.gz OZJJXEWPOQRMTB-CQSZACIVSA-N 1 0 249.358 2.241 20 30 BEEDRO CCCCC[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000691640249 979824526 /nfs/dbraw/zinc/82/45/26/979824526.db2.gz AKPNHFDINJOGEB-VXGBXAGGSA-N 1 0 239.363 2.093 20 30 BEEDRO C=CC[NH2+]CCN(C)[C@@H]1CCc2ccccc21 ZINC001237258828 979859727 /nfs/dbraw/zinc/85/97/27/979859727.db2.gz OXKQCOJPJROCEB-OAHLLOKOSA-N 1 0 230.355 2.381 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC001183665114 979871778 /nfs/dbraw/zinc/87/17/78/979871778.db2.gz WWAKEJJBOGWDBR-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cccnc2N)CC1 ZINC001183740309 979881096 /nfs/dbraw/zinc/88/10/96/979881096.db2.gz MWZMJFUUDPROIG-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC001342734457 979881886 /nfs/dbraw/zinc/88/18/86/979881886.db2.gz XKODITVZXVCTDH-UONOGXRCSA-N 1 0 246.354 2.056 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CC1CC[NH2+]CC1 ZINC001342784447 979894647 /nfs/dbraw/zinc/89/46/47/979894647.db2.gz RPGWHZCLTPDQEY-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)C2(CC2)C1 ZINC001237469326 979897347 /nfs/dbraw/zinc/89/73/47/979897347.db2.gz RRMVYBVAMRYMEY-LLVKDONJSA-N 1 0 227.311 2.328 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(CC(=O)OCC)cc1 ZINC001237478526 979908093 /nfs/dbraw/zinc/90/80/93/979908093.db2.gz KSWACYIAFRWHAS-UHFFFAOYSA-N 1 0 247.338 2.410 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2ncnc(Cl)c2c1 ZINC001237577621 979944853 /nfs/dbraw/zinc/94/48/53/979944853.db2.gz HWGFWWFTGWVXSE-UHFFFAOYSA-N 1 0 245.713 2.348 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](C)c1ccc(F)cc1 ZINC001184116491 979955633 /nfs/dbraw/zinc/95/56/33/979955633.db2.gz YWPGISZHLDKGRM-NSHDSACASA-N 1 0 205.276 2.494 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC001237622685 979977602 /nfs/dbraw/zinc/97/76/02/979977602.db2.gz WTEBOXLSCRKHIU-UHFFFAOYSA-N 1 0 227.666 2.250 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(=O)OC)c(C)c1 ZINC001343040408 979990518 /nfs/dbraw/zinc/99/05/18/979990518.db2.gz UOSZSPAADTUSSG-UHFFFAOYSA-N 1 0 233.311 2.399 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)CCC(C)C ZINC001343118346 980013219 /nfs/dbraw/zinc/01/32/19/980013219.db2.gz WXNAJSJIACPBRB-LBPRGKRZSA-N 1 0 226.364 2.175 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCOCC1)C1CC1 ZINC001184291722 980015448 /nfs/dbraw/zinc/01/54/48/980015448.db2.gz SPVCMCIFVAJETA-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO CCc1n[nH]cc1C[NH+]1CCC(C)(C#N)CC1 ZINC001237660228 980020176 /nfs/dbraw/zinc/02/01/76/980020176.db2.gz XNUDLTQJCFWSPB-UHFFFAOYSA-N 1 0 232.331 2.098 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001343219815 980038858 /nfs/dbraw/zinc/03/88/58/980038858.db2.gz FMXDKCSOKYUJMX-NWDGAFQWSA-N 1 0 225.332 2.367 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2CSC2)C1 ZINC001184387491 980058764 /nfs/dbraw/zinc/05/87/64/980058764.db2.gz LGESVUVKFPYPFU-JQWIXIFHSA-N 1 0 224.373 2.411 20 30 BEEDRO C=C1CC(C)(C(=O)NCCCCC[NH+](C)C)C1 ZINC001184791961 980133420 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C=CCO[C@@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC001351142255 982216485 /nfs/dbraw/zinc/21/64/85/982216485.db2.gz VOJXAKWAIJSWPE-CQSZACIVSA-N 1 0 232.327 2.167 20 30 BEEDRO C=CC[N@H+](CCOC1CC1)CCc1ccco1 ZINC001351185859 982229282 /nfs/dbraw/zinc/22/92/82/982229282.db2.gz DOOKAUSJGFHWJZ-UHFFFAOYSA-N 1 0 235.327 2.489 20 30 BEEDRO N#Cc1cc(-c2cc3[nH]ccc3c[nH+]2)ccn1 ZINC001241177990 982328862 /nfs/dbraw/zinc/32/88/62/982328862.db2.gz XXAGJDSVJCVHGL-UHFFFAOYSA-N 1 0 220.235 2.497 20 30 BEEDRO C[N@H+]1CC=C(c2nc3c(cc2C#N)CCC3)CC1 ZINC001241312841 982460427 /nfs/dbraw/zinc/46/04/27/982460427.db2.gz OSHYGDIXUZNLPF-UHFFFAOYSA-N 1 0 239.322 2.161 20 30 BEEDRO C=C(CC)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001352424298 982521882 /nfs/dbraw/zinc/52/18/82/982521882.db2.gz USEKETWUQAZSGW-OLZOCXBDSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)C2=CCCC2)CC1 ZINC001200056590 982540431 /nfs/dbraw/zinc/54/04/31/982540431.db2.gz ARANQMJRBYPFTM-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO COc1cc(C#N)ccc1-c1c[nH+]ccc1N ZINC001241404903 982555836 /nfs/dbraw/zinc/55/58/36/982555836.db2.gz XBCQCTDEJKNFES-UHFFFAOYSA-N 1 0 225.251 2.041 20 30 BEEDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccccc2C#N)C1 ZINC001205805259 982566810 /nfs/dbraw/zinc/56/68/10/982566810.db2.gz QAHGNXRULIVICF-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO N#Cc1ccc(-c2cccc3c2C[NH2+]C3)cn1 ZINC001241432025 982587697 /nfs/dbraw/zinc/58/76/97/982587697.db2.gz ZMCBCLRVOGIUQC-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC001352862006 982606562 /nfs/dbraw/zinc/60/65/62/982606562.db2.gz LAAFLGDHKNXJON-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C#CCOCC[N@H+](C)CCCSC(C)(C)C ZINC001352889294 982614307 /nfs/dbraw/zinc/61/43/07/982614307.db2.gz GUAPBIZRSFVUER-UHFFFAOYSA-N 1 0 243.416 2.490 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCc2ncccc21 ZINC001353033745 982671878 /nfs/dbraw/zinc/67/18/78/982671878.db2.gz CSZCOQKUKIFATB-DOMZBBRYSA-N 1 0 246.354 2.376 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@]1(C)O ZINC001203900275 982679139 /nfs/dbraw/zinc/67/91/39/982679139.db2.gz XHRQHSFHZLONNP-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@]1(C)O ZINC001203900277 982680747 /nfs/dbraw/zinc/68/07/47/982680747.db2.gz XHRQHSFHZLONNP-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cc1 ZINC001203904933 982710632 /nfs/dbraw/zinc/71/06/32/982710632.db2.gz KLHVJPRWENVVDX-IHRRRGAJSA-N 1 0 230.286 2.491 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC001198526437 982750099 /nfs/dbraw/zinc/75/00/99/982750099.db2.gz TWUPKLNPZUVFJI-GJZGRUSLSA-N 1 0 235.371 2.415 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC001198526440 982750119 /nfs/dbraw/zinc/75/01/19/982750119.db2.gz TWUPKLNPZUVFJI-LSDHHAIUSA-N 1 0 235.371 2.415 20 30 BEEDRO C[N@@H+]1CCC=C(c2cccc(CC#N)c2)C1 ZINC001241569643 982814745 /nfs/dbraw/zinc/81/47/45/982814745.db2.gz JRTVRCIUCGQZKM-UHFFFAOYSA-N 1 0 212.296 2.472 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C#N)CCC#N ZINC001353277340 982815158 /nfs/dbraw/zinc/81/51/58/982815158.db2.gz KIMHPEGBQUYMQY-CHWSQXEVSA-N 1 0 242.326 2.046 20 30 BEEDRO C[N@@H+]1CCC=C(c2cc3cc[nH]c3nc2C#N)C1 ZINC001241569999 982820108 /nfs/dbraw/zinc/82/01/08/982820108.db2.gz ACNYVUFXMDTZAX-UHFFFAOYSA-N 1 0 238.294 2.105 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C[C@H](C)CC)C1 ZINC001100275090 982822424 /nfs/dbraw/zinc/82/24/24/982822424.db2.gz KFARDWKAYAVZHN-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCC[N@H+]1C[C@H](N2CCCC2)C[C@H]1C(C)C ZINC001198623334 982826096 /nfs/dbraw/zinc/82/60/96/982826096.db2.gz PLEJPQLQXMIJRW-CABCVRRESA-N 1 0 234.387 2.204 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC001353312753 982831449 /nfs/dbraw/zinc/83/14/49/982831449.db2.gz BJMWSZPYNBHCFB-QEJZJMRPSA-N 1 0 249.354 2.025 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC001353312736 982832373 /nfs/dbraw/zinc/83/23/73/982832373.db2.gz BJMWSZPYNBHCFB-AEGPPILISA-N 1 0 249.354 2.025 20 30 BEEDRO C=C(C)c1ccc(-c2cnn(C3C[NH2+]C3)c2)nc1 ZINC001241598415 982836611 /nfs/dbraw/zinc/83/66/11/982836611.db2.gz VSSHUBJSPMQFEB-UHFFFAOYSA-N 1 0 240.310 2.123 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)/C=C(\C)CC)C1 ZINC001100303513 982854253 /nfs/dbraw/zinc/85/42/53/982854253.db2.gz GEPQDAKVLFREJN-YRNVUSSQSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001199060257 982883032 /nfs/dbraw/zinc/88/30/32/982883032.db2.gz OYVMCYMSMVTPLN-UHFFFAOYSA-N 1 0 200.644 2.150 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001199368447 982917774 /nfs/dbraw/zinc/91/77/74/982917774.db2.gz QXKUQPIWRRWQPT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)[C@@H](C)CCC)CC1 ZINC001199885120 983040715 /nfs/dbraw/zinc/04/07/15/983040715.db2.gz YHHPRZUMJBSVCZ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccc(-c2ccc(C[NH3+])cc2)nc1C#N ZINC001241911859 983128260 /nfs/dbraw/zinc/12/82/60/983128260.db2.gz QDWZNVQICZHHIK-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO N#Cc1cc(F)cnc1-c1ccc(C[NH3+])cc1 ZINC001241911885 983128309 /nfs/dbraw/zinc/12/83/09/983128309.db2.gz RWAUJKLIXOLOKK-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#CCc1ccnc(-c2ccc(C[NH3+])cc2)c1 ZINC001241912120 983128327 /nfs/dbraw/zinc/12/83/27/983128327.db2.gz HZKUIKTYDBEYEH-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO N#CCc1cncc(-c2ccc(C[NH3+])cc2)c1 ZINC001241913705 983129758 /nfs/dbraw/zinc/12/97/58/983129758.db2.gz JISDNODMHMQQQS-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO N#Cc1ncc(-c2ccc(C[NH3+])cc2)cc1F ZINC001241913354 983130629 /nfs/dbraw/zinc/13/06/29/983130629.db2.gz UCWFJDUEDPUSOC-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#CCc1ccncc1-c1ccc(C[NH3+])cc1 ZINC001241918434 983139845 /nfs/dbraw/zinc/13/98/45/983139845.db2.gz WJDSBVMBQUEONY-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO N#CCc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001242020633 983228190 /nfs/dbraw/zinc/22/81/90/983228190.db2.gz PETVXTVQOVVPMS-OLZOCXBDSA-N 1 0 225.295 2.055 20 30 BEEDRO Cc1ccnc(C#N)c1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242027768 983240178 /nfs/dbraw/zinc/24/01/78/983240178.db2.gz KFDNNAUPAMGDOG-NEPJUHHUSA-N 1 0 225.295 2.169 20 30 BEEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC001201482324 983287045 /nfs/dbraw/zinc/28/70/45/983287045.db2.gz IJTUNIDTNQIZET-LBPRGKRZSA-N 1 0 240.347 2.019 20 30 BEEDRO C=CCN1C(=O)CC[C@@]12CCC[N@@H+](CC)CC2 ZINC001201581370 983341188 /nfs/dbraw/zinc/34/11/88/983341188.db2.gz TXFGSDJSWJCEPD-CQSZACIVSA-N 1 0 236.359 2.039 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)c1ccc(O)cc1 ZINC001354714718 983347564 /nfs/dbraw/zinc/34/75/64/983347564.db2.gz UTPVVYQVGQYKCN-NWDGAFQWSA-N 1 0 245.322 2.165 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)C2CC2)n1 ZINC001354725581 983349976 /nfs/dbraw/zinc/34/99/76/983349976.db2.gz KGNINPGQQIVPTC-LBPRGKRZSA-N 1 0 231.343 2.137 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001354735027 983350910 /nfs/dbraw/zinc/35/09/10/983350910.db2.gz NJODNYGWJZHUJW-FRRDWIJNSA-N 1 0 238.375 2.032 20 30 BEEDRO C[C@@H](C(=O)Nc1ccc(CCC#N)cc1)[C@H](C)[NH3+] ZINC001354842076 983375020 /nfs/dbraw/zinc/37/50/20/983375020.db2.gz RORZXXTZMMXXBH-MNOVXSKESA-N 1 0 245.326 2.065 20 30 BEEDRO CC(C)CC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201614950 983378175 /nfs/dbraw/zinc/37/81/75/983378175.db2.gz QEEFNHBBCZRQCN-LLVKDONJSA-N 1 0 225.357 2.307 20 30 BEEDRO C=CCN1CC[NH+](CCCCCC)CC1 ZINC001201754525 983458528 /nfs/dbraw/zinc/45/85/28/983458528.db2.gz BZDCEFVXZZCLIV-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001201761518 983465407 /nfs/dbraw/zinc/46/54/07/983465407.db2.gz HLQZEMVRYZPIGW-NWDGAFQWSA-N 1 0 217.328 2.362 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@@H]1COC ZINC001201797665 983477183 /nfs/dbraw/zinc/47/71/83/983477183.db2.gz BNWBZTOBNIZHAC-ZDUSSCGKSA-N 1 0 229.364 2.304 20 30 BEEDRO CCCCCCC[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001201787657 983482207 /nfs/dbraw/zinc/48/22/07/983482207.db2.gz HWZMYYDIDPFNHP-ZDUSSCGKSA-N 1 0 238.375 2.263 20 30 BEEDRO N#Cc1cncc(-c2cccc3c[nH+]cn32)c1 ZINC001242274141 983496846 /nfs/dbraw/zinc/49/68/46/983496846.db2.gz HDZSBXIBNPXIPQ-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=C(C)CN1CC[C@@]2(CCC[N@H+]2C(C)C)C1=O ZINC001273920253 983508877 /nfs/dbraw/zinc/50/88/77/983508877.db2.gz ANVPSBAYRSPBEB-AWEZNQCLSA-N 1 0 236.359 2.038 20 30 BEEDRO COc1cccc(-c2ccc(C[NH3+])nc2)c1C#N ZINC001242298199 983524951 /nfs/dbraw/zinc/52/49/51/983524951.db2.gz JYGCVQFVJNRHDP-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC001355641498 983531446 /nfs/dbraw/zinc/53/14/46/983531446.db2.gz VKCONTLTILBYJW-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC001355641495 983531869 /nfs/dbraw/zinc/53/18/69/983531869.db2.gz VKCONTLTILBYJW-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1ncccc1-c1c[nH+]cc2cc[nH]c21 ZINC001242311273 983539424 /nfs/dbraw/zinc/53/94/24/983539424.db2.gz RXXNNGINURMRSM-UHFFFAOYSA-N 1 0 220.235 2.497 20 30 BEEDRO C[NH2+]Cc1ccccc1-c1cccnc1C#N ZINC001242313134 983546687 /nfs/dbraw/zinc/54/66/87/983546687.db2.gz RWFJTZRJITZRQH-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO Cc1cc(-c2cc(N(C)C)cc[nH+]2)cnc1C#N ZINC001242354020 983634979 /nfs/dbraw/zinc/63/49/79/983634979.db2.gz VDPZWRNGAPBNEB-UHFFFAOYSA-N 1 0 238.294 2.390 20 30 BEEDRO Cc1c[nH+]c(-c2cnc(C#N)c(C)c2)cc1N ZINC001242355404 983636939 /nfs/dbraw/zinc/63/69/39/983636939.db2.gz WXDIJDOEBGKLOK-UHFFFAOYSA-N 1 0 224.267 2.214 20 30 BEEDRO C=C[C@H](C)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001356597514 983638777 /nfs/dbraw/zinc/63/87/77/983638777.db2.gz VZQPFDGVARYPBO-JTQLQIEISA-N 1 0 236.290 2.318 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]CCC(=O)Nc1ccccc1 ZINC001356629823 983648871 /nfs/dbraw/zinc/64/88/71/983648871.db2.gz SFWRGICUYAPSAN-ZDUSSCGKSA-N 1 0 244.338 2.407 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)C)C1 ZINC001488713446 983691624 /nfs/dbraw/zinc/69/16/24/983691624.db2.gz JPJZJQXCIYCWNE-BETUJISGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001490433688 983726286 /nfs/dbraw/zinc/72/62/86/983726286.db2.gz BVCCMKCQOGFIIN-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCN(CC)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC001357514514 983734195 /nfs/dbraw/zinc/73/41/95/983734195.db2.gz GHFWSYQZUTWJAL-VXGBXAGGSA-N 1 0 241.379 2.110 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)C12CCC[NH+](CCC1)C2 ZINC001357713804 983757955 /nfs/dbraw/zinc/75/79/55/983757955.db2.gz WBZUPHFISHAXNE-LBPRGKRZSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000691804995 983787211 /nfs/dbraw/zinc/78/72/11/983787211.db2.gz JUXRJNIGKJRQDE-CYBMUJFWSA-N 1 0 232.327 2.251 20 30 BEEDRO C=C(C)CCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC001357901949 983802802 /nfs/dbraw/zinc/80/28/02/983802802.db2.gz YNTUJLFUQATROL-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc(Cl)c1 ZINC001252539646 983804202 /nfs/dbraw/zinc/80/42/02/983804202.db2.gz WNFCGOKHEPPNPW-LBPRGKRZSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc(Cl)c1 ZINC001252539645 983804622 /nfs/dbraw/zinc/80/46/22/983804622.db2.gz WNFCGOKHEPPNPW-GFCCVEGCSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cn(C)c2ccccc12 ZINC001252567762 983823840 /nfs/dbraw/zinc/82/38/40/983823840.db2.gz CZODFBAWULMHKB-OAHLLOKOSA-N 1 0 244.338 2.205 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1nc2ccccc2s1 ZINC001252568582 983824362 /nfs/dbraw/zinc/82/43/62/983824362.db2.gz LPESVRPLABOJDX-CYBMUJFWSA-N 1 0 248.351 2.323 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001252570782 983825625 /nfs/dbraw/zinc/82/56/25/983825625.db2.gz BGHCIMANSIXYDT-CQSZACIVSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2F ZINC001252576067 983831310 /nfs/dbraw/zinc/83/13/10/983831310.db2.gz ICTFYNVXPUSYQX-KBPBESRZSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001252576728 983831991 /nfs/dbraw/zinc/83/19/91/983831991.db2.gz NKAQDWTYKLYKPB-CABCVRRESA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)c1cc(C)ccn1 ZINC001252578036 983833254 /nfs/dbraw/zinc/83/32/54/983833254.db2.gz AXWLRFQYVPTIFD-HNNXBMFYSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2cccc(F)c2)CC1 ZINC001252578974 983833404 /nfs/dbraw/zinc/83/34/04/983833404.db2.gz IOARSSHVCYXQLF-CQSZACIVSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001252582052 983834428 /nfs/dbraw/zinc/83/44/28/983834428.db2.gz NKWADKIAMYDTIU-KBPBESRZSA-N 1 0 232.327 2.059 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(F)c1 ZINC001252586571 983837141 /nfs/dbraw/zinc/83/71/41/983837141.db2.gz KAKLMXLTUCPBKW-ZDUSSCGKSA-N 1 0 223.291 2.242 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(OC)c1 ZINC001252586507 983837694 /nfs/dbraw/zinc/83/76/94/983837694.db2.gz JHPYXUFJCPFNJF-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001358253262 983843484 /nfs/dbraw/zinc/84/34/84/983843484.db2.gz ZFNFOSVMFWPUKB-XQQFMLRXSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCC[C@H](O)CNc1ccccc1C[NH+](C)C ZINC001252609539 983844083 /nfs/dbraw/zinc/84/40/83/983844083.db2.gz XHWUREMWTDZWLA-AWEZNQCLSA-N 1 0 248.370 2.487 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001252613101 983846186 /nfs/dbraw/zinc/84/61/86/983846186.db2.gz WDUCLZDIJPKOJX-IJLUTSLNSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccsc1 ZINC001252614326 983847757 /nfs/dbraw/zinc/84/77/57/983847757.db2.gz IGZZEGHYXTWGQS-LBPRGKRZSA-N 1 0 225.357 2.207 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001252618291 983853476 /nfs/dbraw/zinc/85/34/76/983853476.db2.gz QWFCAIZPFYKIRV-WFASDCNBSA-N 1 0 249.354 2.412 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC001252617950 983853633 /nfs/dbraw/zinc/85/36/33/983853633.db2.gz NCZRUNUJZROLCJ-QWRGUYRKSA-N 1 0 233.302 2.481 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001252618289 983853735 /nfs/dbraw/zinc/85/37/35/983853735.db2.gz QWFCAIZPFYKIRV-IUODEOHRSA-N 1 0 249.354 2.412 20 30 BEEDRO C[NH2+]Cc1cc(-c2cc(C#N)ccc2C)ncn1 ZINC001242540858 983858932 /nfs/dbraw/zinc/85/89/32/983858932.db2.gz GSEXKNSNKLUHLY-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)CCCC=C ZINC001358506808 983880934 /nfs/dbraw/zinc/88/09/34/983880934.db2.gz YJPLCKMZVTZSSL-CYBMUJFWSA-N 1 0 238.375 2.485 20 30 BEEDRO C[C@@H](Cc1cccnc1)[NH2+]CC1(C#N)CCC1 ZINC000934230824 983885734 /nfs/dbraw/zinc/88/57/34/983885734.db2.gz YUFDCIIFGMGPGX-LBPRGKRZSA-N 1 0 229.327 2.296 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC001474543844 983906552 /nfs/dbraw/zinc/90/65/52/983906552.db2.gz GDCHQAGRUYLLRU-UNQGMJICSA-N 1 0 245.297 2.125 20 30 BEEDRO Cc1ccc(-c2ccc(C[NH3+])nc2)c(C#N)c1 ZINC001242592687 983911965 /nfs/dbraw/zinc/91/19/65/983911965.db2.gz SNOVBAVWKYLCLW-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO COc1ccc(Nc2c(C)[nH+]cn2C)c(C#N)c1 ZINC001212781893 983961924 /nfs/dbraw/zinc/96/19/24/983961924.db2.gz QCVXOZARNJDTOJ-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000826100215 983969254 /nfs/dbraw/zinc/96/92/54/983969254.db2.gz NFMFPGVADJDZPM-CVEARBPZSA-N 1 0 241.334 2.325 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CCCC1 ZINC001570585282 984027695 /nfs/dbraw/zinc/02/76/95/984027695.db2.gz URGKKJOCRPBLDJ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1ccnc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242672301 984038019 /nfs/dbraw/zinc/03/80/19/984038019.db2.gz SUBWRDVJBRPOBY-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO N#Cc1cccnc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242671963 984040043 /nfs/dbraw/zinc/04/00/43/984040043.db2.gz PYTUNQFDSDJMTC-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO C=CCC[NH+]1CC(CNC(=O)C/C=C(\C)C=C)C1 ZINC001318144259 984043329 /nfs/dbraw/zinc/04/33/29/984043329.db2.gz BKJQXTBMWOBQMX-NTUHNPAUSA-N 1 0 248.370 2.133 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCN(C)C ZINC001253227408 984045904 /nfs/dbraw/zinc/04/59/04/984045904.db2.gz IPOKIOLONAKRCD-CQSZACIVSA-N 1 0 242.407 2.025 20 30 BEEDRO N#Cc1ccccc1-c1ccc2c(n1)CC[NH2+]C2 ZINC001242712370 984060350 /nfs/dbraw/zinc/06/03/50/984060350.db2.gz RJTPNHDSDTZEKF-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO N#Cc1ccccc1-c1cnc2c(c1)C[NH2+]CC2 ZINC001242714744 984066506 /nfs/dbraw/zinc/06/65/06/984066506.db2.gz WBBAWEJDVMNRPZ-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C[C@@H]1CC(=O)C=C(c2cnc3c(c2)C[NH2+]CC3)C1 ZINC001242741562 984090771 /nfs/dbraw/zinc/09/07/71/984090771.db2.gz VFJZEKAVUZRCKN-JTQLQIEISA-N 1 0 242.322 2.110 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1c2ccccc2NC1(C)C ZINC001574735042 984113853 /nfs/dbraw/zinc/11/38/53/984113853.db2.gz ABBMEIFWQXCELL-CQSZACIVSA-N 1 0 244.338 2.171 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[C@@H]([NH3+])CC(C)C ZINC001574872271 984116033 /nfs/dbraw/zinc/11/60/33/984116033.db2.gz JWLWYRAYRLGXKA-NSHDSACASA-N 1 0 226.364 2.078 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCOCC1 ZINC001202596732 984120161 /nfs/dbraw/zinc/12/01/61/984120161.db2.gz CVQOGIIBVCVYIK-ZSOGYDGISA-N 1 0 234.343 2.180 20 30 BEEDRO CCCCN(CC#N)CC1CCOCC1 ZINC001202597103 984121918 /nfs/dbraw/zinc/12/19/18/984121918.db2.gz RJVLOSFVXXDYEC-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000884246286 984163644 /nfs/dbraw/zinc/16/36/44/984163644.db2.gz NHZHKRDXJZXWDT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)/C(C)=C\CC ZINC001318505061 984181168 /nfs/dbraw/zinc/18/11/68/984181168.db2.gz YBJHOLBHCUQOPE-SUIFULHWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)CCc1ccccc1 ZINC001253565507 984222124 /nfs/dbraw/zinc/22/21/24/984222124.db2.gz OUSCGOBDNBDTLR-TZMCWYRMSA-N 1 0 219.328 2.144 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001253567003 984234796 /nfs/dbraw/zinc/23/47/96/984234796.db2.gz JEIBMMQQJMIWDJ-YPMHNXCESA-N 1 0 217.312 2.153 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001253567000 984235652 /nfs/dbraw/zinc/23/56/52/984235652.db2.gz JEIBMMQQJMIWDJ-AAEUAGOBSA-N 1 0 217.312 2.153 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC001253567001 984237238 /nfs/dbraw/zinc/23/72/38/984237238.db2.gz JEIBMMQQJMIWDJ-DGCLKSJQSA-N 1 0 217.312 2.153 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cc(C#N)nc(C)n2)cc1 ZINC001242991375 984353720 /nfs/dbraw/zinc/35/37/20/984353720.db2.gz LEBHSUYHJVAFGB-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncc(C)nc2C#N)c1 ZINC001242994955 984358265 /nfs/dbraw/zinc/35/82/65/984358265.db2.gz WDTXCNIQFSHOIS-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C=C(C)C)C1 ZINC001278356758 984363708 /nfs/dbraw/zinc/36/37/08/984363708.db2.gz MJUKHHDYXYYIKP-CQSZACIVSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1ccccc1Cl ZINC000717956943 984370612 /nfs/dbraw/zinc/37/06/12/984370612.db2.gz OSRSNDZEJRYGSC-LBPRGKRZSA-N 1 0 237.730 2.204 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1ccccc1Cl ZINC000717956940 984371321 /nfs/dbraw/zinc/37/13/21/984371321.db2.gz OSRSNDZEJRYGSC-GFCCVEGCSA-N 1 0 237.730 2.204 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[C@H](C)[NH2+]CCCF ZINC001274763089 984377584 /nfs/dbraw/zinc/37/75/84/984377584.db2.gz HXBPXFIZWTYXAE-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C#C[C@@H](CO)[NH2+][C@@H](C)CCCCCCC ZINC000718185329 984401246 /nfs/dbraw/zinc/40/12/46/984401246.db2.gz QAJQZJVLKWRMCL-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C)c(C)c1 ZINC001275006723 984436213 /nfs/dbraw/zinc/43/62/13/984436213.db2.gz ABAJOSKKTHQNBI-CYBMUJFWSA-N 1 0 246.354 2.197 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]CC1CCCC1 ZINC001275092164 984482538 /nfs/dbraw/zinc/48/25/38/984482538.db2.gz DFPKHFBLCDZQTI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC1CCC1 ZINC001275105666 984490025 /nfs/dbraw/zinc/49/00/25/984490025.db2.gz WZILOXUJZRPZIU-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC001442251752 984491280 /nfs/dbraw/zinc/49/12/80/984491280.db2.gz AIMSIYRYTIATDS-WCQYABFASA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C[C@H](C)CC ZINC001275135238 984501976 /nfs/dbraw/zinc/50/19/76/984501976.db2.gz GCNTXLHHLGOHAF-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C\C ZINC001275375806 984543815 /nfs/dbraw/zinc/54/38/15/984543815.db2.gz JPXXDMNFHZKMKG-MENMGGHXSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001275459187 984567597 /nfs/dbraw/zinc/56/75/97/984567597.db2.gz DXPFTFNCPGQTNS-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1c[nH]c2ccc(C3=CC[NH2+]C3)cc12 ZINC001243110950 984569170 /nfs/dbraw/zinc/56/91/70/984569170.db2.gz OKEHFUPEQQTNMX-UHFFFAOYSA-N 1 0 209.252 2.026 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001275479610 984572985 /nfs/dbraw/zinc/57/29/85/984572985.db2.gz BTZQBVUQLSQRHQ-NWDGAFQWSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)/C=C\C(C)(C)C ZINC001275519688 984592050 /nfs/dbraw/zinc/59/20/50/984592050.db2.gz BHROPOQRIIHBFQ-JLVNDZCYSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001275550626 984606781 /nfs/dbraw/zinc/60/67/81/984606781.db2.gz DTYKEHHQWDQSTH-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO CCN(CCC#N)C[C@H]([NH3+])CCC(C)(C)C ZINC001577711246 984655226 /nfs/dbraw/zinc/65/52/26/984655226.db2.gz ZESXVGOIHUCRRL-GFCCVEGCSA-N 1 0 225.380 2.376 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001275947709 984744526 /nfs/dbraw/zinc/74/45/26/984744526.db2.gz XZXAEUBUNKRUJJ-STQMWFEESA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)C(C)(F)F ZINC001276244153 984835567 /nfs/dbraw/zinc/83/55/67/984835567.db2.gz LYLBADKNVURLMA-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257029376 984848118 /nfs/dbraw/zinc/84/81/18/984848118.db2.gz GVXXUHALVLIVHZ-MBNYWOFBSA-N 1 0 237.343 2.110 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CCCOC1 ZINC000685984208 985021940 /nfs/dbraw/zinc/02/19/40/985021940.db2.gz RHORRIZNBLXLAY-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO CS[C@H]1CCCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000685989365 985028544 /nfs/dbraw/zinc/02/85/44/985028544.db2.gz FRAGZVLRKSTJJR-NEPJUHHUSA-N 1 0 242.388 2.133 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001456179443 985120799 /nfs/dbraw/zinc/12/07/99/985120799.db2.gz SXTQBOZFCYBSGW-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC1OCCO1 ZINC000686609474 985148039 /nfs/dbraw/zinc/14/80/39/985148039.db2.gz NGBBEXZRSXVIAT-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCCCCC[NH2+]C1(CO)CCCCC1 ZINC000686675646 985198984 /nfs/dbraw/zinc/19/89/84/985198984.db2.gz AGYORCKJISDRBL-UHFFFAOYSA-N 1 0 223.360 2.465 20 30 BEEDRO C#CCCCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000686678840 985200176 /nfs/dbraw/zinc/20/01/76/985200176.db2.gz SYSVDIPZMDZHJA-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000686678846 985200393 /nfs/dbraw/zinc/20/03/93/985200393.db2.gz SYSVDIPZMDZHJA-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCC[N@H+]1CCCN(CC)CC1 ZINC000686682713 985202909 /nfs/dbraw/zinc/20/29/09/985202909.db2.gz AWWGKHRCPPFOLT-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO COc1ccc(-c2cccc(C[NH3+])n2)c(C#N)c1 ZINC001243724425 985244889 /nfs/dbraw/zinc/24/48/89/985244889.db2.gz JHGHXEKLOUWWIR-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)c(C#N)cn1 ZINC001458055314 985253473 /nfs/dbraw/zinc/25/34/73/985253473.db2.gz PGJMIBMQONTBLM-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO CN(c1cc(N)cc[nH+]1)C1=CC[C@@H](C#N)CC1 ZINC001212859913 985272324 /nfs/dbraw/zinc/27/23/24/985272324.db2.gz VXAUBFMRWHCTGC-SNVBAGLBSA-N 1 0 228.299 2.308 20 30 BEEDRO Cc1cc(NCC[N@H+]2CCC[C@H]2C)ncc1C#N ZINC001458216686 985275349 /nfs/dbraw/zinc/27/53/49/985275349.db2.gz FJSKMPGHZYGJSP-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1cc(NCC[N@H+]2CCC[C@@H]2C)ncc1C#N ZINC001458216689 985276402 /nfs/dbraw/zinc/27/64/02/985276402.db2.gz FJSKMPGHZYGJSP-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)[C@H](C)C(C)C ZINC000687803913 985390359 /nfs/dbraw/zinc/39/03/59/985390359.db2.gz HUFXZERSRQFQLG-VXGBXAGGSA-N 1 0 212.337 2.281 20 30 BEEDRO CC(C)[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459399325 985492525 /nfs/dbraw/zinc/49/25/25/985492525.db2.gz ZELVQOKHQHPTTE-OAHLLOKOSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(C#N)cc1 ZINC000688045909 985522098 /nfs/dbraw/zinc/52/20/98/985522098.db2.gz SMJIGSVSFYRLEE-MJVIPROJSA-N 1 0 230.311 2.244 20 30 BEEDRO N#Cc1ccnc(/C=C/C2CC[NH2+]CC2)c1F ZINC001243893037 985565831 /nfs/dbraw/zinc/56/58/31/985565831.db2.gz NUOVAJYKVNNKIC-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO Cc1c(C#N)ccnc1/C=C/C1CC[NH2+]CC1 ZINC001243893538 985566057 /nfs/dbraw/zinc/56/60/57/985566057.db2.gz PWBWIWJRJCZTRA-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO N#Cc1ccc(/C=C/C2CC[NH2+]CC2)nc1F ZINC001243894942 985569598 /nfs/dbraw/zinc/56/95/98/985569598.db2.gz NHFDLKRJTVEVGL-HNQUOIGGSA-N 1 0 231.274 2.105 20 30 BEEDRO N#CCc1ccncc1/C=C/C1CC[NH2+]CC1 ZINC001243896148 985576860 /nfs/dbraw/zinc/57/68/60/985576860.db2.gz FVYGGJNZYHTYAM-OWOJBTEDSA-N 1 0 227.311 2.160 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)s1 ZINC000688271014 985594628 /nfs/dbraw/zinc/59/46/28/985594628.db2.gz HAASXCUUSNSQAI-SNVBAGLBSA-N 1 0 248.351 2.421 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688288980 985599490 /nfs/dbraw/zinc/59/94/90/985599490.db2.gz XJGCIJGQTCWRFX-SECBINFHSA-N 1 0 201.697 2.040 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688286797 985605554 /nfs/dbraw/zinc/60/55/54/985605554.db2.gz NXXGHIXPNVIDPA-OAHLLOKOSA-N 1 0 241.334 2.339 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000688286796 985607869 /nfs/dbraw/zinc/60/78/69/985607869.db2.gz NXXGHIXPNVIDPA-HNNXBMFYSA-N 1 0 241.334 2.339 20 30 BEEDRO CSCC[C@@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001258202017 985611847 /nfs/dbraw/zinc/61/18/47/985611847.db2.gz GTCRHHQQNCAZTP-SNVBAGLBSA-N 1 0 247.367 2.405 20 30 BEEDRO CCNC(NCCCC1CCC1)=[NH+]CC ZINC000688436994 985634232 /nfs/dbraw/zinc/63/42/32/985634232.db2.gz FUSOFSBULCBYSC-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO N#CCc1ccc(C2=C[NH2+]CCC2)cc1C#N ZINC001243949715 985642293 /nfs/dbraw/zinc/64/22/93/985642293.db2.gz HRBFDKDWQGQRBZ-UHFFFAOYSA-N 1 0 223.279 2.349 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnn(CCC)c2C)C1 ZINC001138640326 985652612 /nfs/dbraw/zinc/65/26/12/985652612.db2.gz NFZIPTUKNZDAJG-CQSZACIVSA-N 1 0 245.370 2.447 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)CC#N ZINC001459970679 985683623 /nfs/dbraw/zinc/68/36/23/985683623.db2.gz RBKQGNBYANLQTA-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[Si](C)(C)c1ccccc1 ZINC001460029240 985710116 /nfs/dbraw/zinc/71/01/16/985710116.db2.gz KPMJZLSVQYWXSA-ZDUSSCGKSA-N 1 0 231.415 2.095 20 30 BEEDRO C#CC[N@@H+](CCCCCC(=O)OCC)C(C)C ZINC000688813626 985729606 /nfs/dbraw/zinc/72/96/06/985729606.db2.gz MFKGYDAXSLVYOK-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001460082364 985739303 /nfs/dbraw/zinc/73/93/03/985739303.db2.gz RAQXQKSKCDHTRA-VIFPVBQESA-N 1 0 205.729 2.124 20 30 BEEDRO Cc1c(N)cc[nH+]c1-c1ccc(N)c(C#N)c1 ZINC001244113046 985822459 /nfs/dbraw/zinc/82/24/59/985822459.db2.gz QNIGOWXWAANBQP-UHFFFAOYSA-N 1 0 224.267 2.093 20 30 BEEDRO CCCCC[C@H](CC)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258439481 985882483 /nfs/dbraw/zinc/88/24/83/985882483.db2.gz VJJYKXUHLLHRBS-SRVKXCTJSA-N 1 0 242.363 2.171 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001460855941 985913771 /nfs/dbraw/zinc/91/37/71/985913771.db2.gz HRGAAABIZSFADT-VXGBXAGGSA-N 1 0 217.316 2.231 20 30 BEEDRO C[C@H]([NH3+])c1ccc(-c2ccncc2C#N)cn1 ZINC001244337080 985978729 /nfs/dbraw/zinc/97/87/29/985978729.db2.gz GHPHBUNOTCXBJV-VIFPVBQESA-N 1 0 224.267 2.035 20 30 BEEDRO N#Cc1cnccc1-c1cccc2c1C[NH2+]C2 ZINC001244336563 985980684 /nfs/dbraw/zinc/98/06/84/985980684.db2.gz BZEDNCQULVIQGP-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO N#Cc1cnccc1-c1cccn2c[nH+]cc12 ZINC001244336001 985982428 /nfs/dbraw/zinc/98/24/28/985982428.db2.gz QMEORCOUZXQJOP-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)ccn1 ZINC001258718122 986044415 /nfs/dbraw/zinc/04/44/15/986044415.db2.gz HLCGKQUKQYDLMU-LLVKDONJSA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C(=O)NC)C(C)(C)C ZINC001258722042 986057187 /nfs/dbraw/zinc/05/71/87/986057187.db2.gz KXRAAEQBJYMXPK-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)c1cccnc1 ZINC001258725332 986065961 /nfs/dbraw/zinc/06/59/61/986065961.db2.gz IZGLNJBGENPQGP-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001253570773 986078973 /nfs/dbraw/zinc/07/89/73/986078973.db2.gz BFRPMHPBMZSVNQ-UONOGXRCSA-N 1 0 217.312 2.023 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001253570772 986080652 /nfs/dbraw/zinc/08/06/52/986080652.db2.gz BFRPMHPBMZSVNQ-KGLIPLIRSA-N 1 0 217.312 2.023 20 30 BEEDRO C=C[C@H](O)CNc1c[nH+]ccc1N1CCCCC1 ZINC001253572585 986097338 /nfs/dbraw/zinc/09/73/38/986097338.db2.gz BRTHLKSPJUMRMG-LBPRGKRZSA-N 1 0 247.342 2.031 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001258734728 986099772 /nfs/dbraw/zinc/09/97/72/986099772.db2.gz IFFIEEYNUKSGSS-STQMWFEESA-N 1 0 234.347 2.270 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc2ccoc21 ZINC001461668583 986105817 /nfs/dbraw/zinc/10/58/17/986105817.db2.gz ZNHQYMHYKDWJMP-GFCCVEGCSA-N 1 0 217.268 2.069 20 30 BEEDRO CCCC[C@H](CCC)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258757229 986122450 /nfs/dbraw/zinc/12/24/50/986122450.db2.gz KNPANBOXLISLPL-SRVKXCTJSA-N 1 0 242.363 2.171 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001253578557 986128716 /nfs/dbraw/zinc/12/87/16/986128716.db2.gz DHNNZGOGOZWOPL-UKRRQHHQSA-N 1 0 247.338 2.077 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC001253578925 986133226 /nfs/dbraw/zinc/13/32/26/986133226.db2.gz JVSUMRPNHCEPNI-TZMCWYRMSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@H]21 ZINC001253579796 986139130 /nfs/dbraw/zinc/13/91/30/986139130.db2.gz UESPCSPPEPWRAK-RWMBFGLXSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001253583940 986159344 /nfs/dbraw/zinc/15/93/44/986159344.db2.gz BZECQESPOYZHHG-CQSZACIVSA-N 1 0 219.328 2.282 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001253585637 986165568 /nfs/dbraw/zinc/16/55/68/986165568.db2.gz XRQKQQQSBXVBHR-CPCZMJQVSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001253598336 986227396 /nfs/dbraw/zinc/22/73/96/986227396.db2.gz SAYZGXVEUGVGJY-CYBMUJFWSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1ccccc1Cl ZINC001253598248 986228151 /nfs/dbraw/zinc/22/81/51/986228151.db2.gz QTSQVTQLGHKQKI-NSHDSACASA-N 1 0 225.719 2.019 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(F)cc1Cl ZINC001253598455 986230185 /nfs/dbraw/zinc/23/01/85/986230185.db2.gz UJMOJWGFHTWPNO-SNVBAGLBSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1ccc(OC(C)C)cc1 ZINC001253602864 986252526 /nfs/dbraw/zinc/25/25/26/986252526.db2.gz MTGJAHAVDWZBLD-AWEZNQCLSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001253602858 986252789 /nfs/dbraw/zinc/25/27/89/986252789.db2.gz MPHVNJUCZLARJJ-WCQYABFASA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC001253602857 986253590 /nfs/dbraw/zinc/25/35/90/986253590.db2.gz MPHVNJUCZLARJJ-DGCLKSJQSA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCSCc1ccccc1 ZINC001253603220 986259005 /nfs/dbraw/zinc/25/90/05/986259005.db2.gz SUKOORWPXGMHMO-ZDUSSCGKSA-N 1 0 237.368 2.056 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCCCCCCCCO ZINC001253604705 986260558 /nfs/dbraw/zinc/26/05/58/986260558.db2.gz LLGLMADBJDMLLD-CQSZACIVSA-N 1 0 243.391 2.236 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(C)cc1Cl ZINC001253605237 986262064 /nfs/dbraw/zinc/26/20/64/986262064.db2.gz PQPRSGWQFZYTHE-NSHDSACASA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccc(OC)cc2)CCC1 ZINC001253606963 986264700 /nfs/dbraw/zinc/26/47/00/986264700.db2.gz OXDSZJXAQIGAHW-ZDUSSCGKSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccc(C)cc2)CC1 ZINC001253607215 986266662 /nfs/dbraw/zinc/26/66/62/986266662.db2.gz SMEHCOADYJTJTC-OAHLLOKOSA-N 1 0 245.366 2.454 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)Cc1c[nH]c2ccccc12 ZINC001253605302 986267078 /nfs/dbraw/zinc/26/70/78/986267078.db2.gz QXXGVJKHOREHGQ-DGCLKSJQSA-N 1 0 244.338 2.235 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253608275 986270567 /nfs/dbraw/zinc/27/05/67/986270567.db2.gz KXPLKLFAZILNFZ-AWEZNQCLSA-N 1 0 243.306 2.182 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)NO ZINC001258817363 986278692 /nfs/dbraw/zinc/27/86/92/986278692.db2.gz SJHMFYNPXZQSBK-KXNHARMFSA-N 1 0 242.363 2.075 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CC1 ZINC001462161858 986302328 /nfs/dbraw/zinc/30/23/28/986302328.db2.gz IYZZCGYUWHRJFZ-SDDRHHMPSA-N 1 0 204.317 2.458 20 30 BEEDRO C#CCCCCCC[NH+]1CC(C)(OC)C1 ZINC001462206527 986315217 /nfs/dbraw/zinc/31/52/17/986315217.db2.gz HXOQRAKJHZZCIE-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001462250944 986324481 /nfs/dbraw/zinc/32/44/81/986324481.db2.gz BDUZCTCXJJRPAE-QNSTZXKLSA-N 1 0 221.344 2.498 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1CC(C(C)C)C(C)C ZINC001462331221 986351056 /nfs/dbraw/zinc/35/10/56/986351056.db2.gz FBYSASDSMAWTAC-CYBMUJFWSA-N 1 0 223.360 2.249 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)C1CCOCC1 ZINC001462449023 986389943 /nfs/dbraw/zinc/38/99/43/986389943.db2.gz WJYVRYDOMHMRIR-AJNGGQMLSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001462464385 986394846 /nfs/dbraw/zinc/39/48/46/986394846.db2.gz CAKYFQZEIIUSFH-OWCLPIDISA-N 1 0 243.350 2.081 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cc(C#N)ccn2)c1F ZINC001244857080 986401546 /nfs/dbraw/zinc/40/15/46/986401546.db2.gz UUZZYLMIPJHPHK-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO N#C[C@@H](SC1C[NH2+]C1)C1CCCCC1 ZINC001580036256 986423898 /nfs/dbraw/zinc/42/38/98/986423898.db2.gz QUVXZMWZSLEPDH-LLVKDONJSA-N 1 0 210.346 2.164 20 30 BEEDRO N#C[C@H](SC1C[NH2+]C1)C1CCCCC1 ZINC001580036257 986428064 /nfs/dbraw/zinc/42/80/64/986428064.db2.gz QUVXZMWZSLEPDH-NSHDSACASA-N 1 0 210.346 2.164 20 30 BEEDRO N#CC1(CCN2CCC[C@@H]2C[NH3+])CCCCC1 ZINC001580038280 986437961 /nfs/dbraw/zinc/43/79/61/986437961.db2.gz JNNYQYUVWJJDFR-CYBMUJFWSA-N 1 0 235.375 2.274 20 30 BEEDRO N#Cc1cc(Cl)ccc1CSCC[NH3+] ZINC001580059990 986498366 /nfs/dbraw/zinc/49/83/66/986498366.db2.gz OMTVKOHVAALMRS-UHFFFAOYSA-N 1 0 226.732 2.404 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000689434795 986605108 /nfs/dbraw/zinc/60/51/08/986605108.db2.gz MKRFNAUAWXCAHR-GHMZBOCLSA-N 1 0 229.414 2.227 20 30 BEEDRO N#Cc1cccc(-c2ccnc(C[NH3+])c2)c1F ZINC001245069318 986630810 /nfs/dbraw/zinc/63/08/10/986630810.db2.gz UFIOJPCCRAPCEC-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001254640101 986692632 /nfs/dbraw/zinc/69/26/32/986692632.db2.gz ZQVYNWXPADRGKS-NXEZZACHSA-N 1 0 246.289 2.218 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001254645482 986696182 /nfs/dbraw/zinc/69/61/82/986696182.db2.gz CXRBTPQFUHGSOG-MWLCHTKSSA-N 1 0 219.263 2.003 20 30 BEEDRO CC(C)(C)CN1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254647275 986700447 /nfs/dbraw/zinc/70/04/47/986700447.db2.gz BSAWXQOXKXGCNZ-RDBSUJKOSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001254650134 986702521 /nfs/dbraw/zinc/70/25/21/986702521.db2.gz SXHZHBXEEFRELC-YIFLHPOLSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@](C)(CO)C1 ZINC001254659815 986704358 /nfs/dbraw/zinc/70/43/58/986704358.db2.gz CYDKXBDZVAPYBZ-OUCADQQQSA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001254655659 986710164 /nfs/dbraw/zinc/71/01/64/986710164.db2.gz FGSFZKQPSUITCB-RYUDHWBXSA-N 1 0 240.310 2.116 20 30 BEEDRO CCOC(=O)CCCCC[NH2+][C@H](CC)CC#N ZINC001255155924 986828637 /nfs/dbraw/zinc/82/86/37/986828637.db2.gz VPBAFPXQXXVFCJ-GFCCVEGCSA-N 1 0 240.347 2.392 20 30 BEEDRO CC[C@@H](CC#N)n1ncc2cccc(C[NH3+])c21 ZINC001255155313 986830574 /nfs/dbraw/zinc/83/05/74/986830574.db2.gz OVLUBRZZNQKGAI-LBPRGKRZSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001255157734 986832973 /nfs/dbraw/zinc/83/29/73/986832973.db2.gz UPIYVCOSAIFNLJ-LSDHHAIUSA-N 1 0 246.354 2.119 20 30 BEEDRO CC[C@@H](CC#N)NC(=[NH2+])c1cccnc1Cl ZINC001255159448 986833757 /nfs/dbraw/zinc/83/37/57/986833757.db2.gz WGWSSTDSYRJMRE-QMMMGPOBSA-N 1 0 236.706 2.342 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001255167181 986842054 /nfs/dbraw/zinc/84/20/54/986842054.db2.gz VPJQKGSMFPXCKY-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO N#Cc1ccc(-c2cc(C[NH3+])ccn2)cc1 ZINC001245493636 986873087 /nfs/dbraw/zinc/87/30/87/986873087.db2.gz CKMOHPSYOCGQME-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO CC[C@@H](CC#N)[N@H+](C(C)C)C1CCN(C)CC1 ZINC001255177101 986873962 /nfs/dbraw/zinc/87/39/62/986873962.db2.gz MKYITGGSIRDPRW-ZDUSSCGKSA-N 1 0 237.391 2.483 20 30 BEEDRO CN1CC[C@H]([NH2+]C(C)(C)c2ccc(C#N)cc2)C1 ZINC001255413373 986938069 /nfs/dbraw/zinc/93/80/69/986938069.db2.gz ZBYUOHYCYBQNPL-AWEZNQCLSA-N 1 0 243.354 2.087 20 30 BEEDRO N#CCc1cc(-c2ccncc2C[NH3+])ccc1C#N ZINC001245559695 986954684 /nfs/dbraw/zinc/95/46/84/986954684.db2.gz IERDLDGXZGXOFD-UHFFFAOYSA-N 1 0 248.289 2.145 20 30 BEEDRO [NH3+]Cc1cnccc1-c1cc(/C=N/O)ccc1F ZINC001245562539 986956608 /nfs/dbraw/zinc/95/66/08/986956608.db2.gz FUKFKPVHYSXZOJ-REZTVBANSA-N 1 0 245.257 2.155 20 30 BEEDRO N#CCc1cc(F)cc(-c2ccncc2C[NH3+])c1 ZINC001245561914 986957049 /nfs/dbraw/zinc/95/70/49/986957049.db2.gz YDCRBIZPMXNRFN-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000397786535 986998953 /nfs/dbraw/zinc/99/89/53/986998953.db2.gz YJLPEPCBZQPZON-ZIAGYGMSSA-N 1 0 236.403 2.356 20 30 BEEDRO N#Cc1cc(F)cnc1-c1ccc2c[nH+]cn2c1 ZINC001245893503 987100683 /nfs/dbraw/zinc/10/06/83/987100683.db2.gz BFDLYPVDSDBZHD-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001491053506 987106877 /nfs/dbraw/zinc/10/68/77/987106877.db2.gz WENSWOSESMNBBO-SCRDCRAPSA-N 1 0 238.375 2.234 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC001491068156 987113854 /nfs/dbraw/zinc/11/38/54/987113854.db2.gz YKSFAJWXFJSZGD-ZDEQEGDKSA-N 1 0 238.375 2.091 20 30 BEEDRO N#CCc1ccc(-c2ccc3c[nH+]cn3c2)cn1 ZINC001245897318 987124735 /nfs/dbraw/zinc/12/47/35/987124735.db2.gz XZAQKYVYRVRMII-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO C=CCCCC(=O)NC1CCC([NH2+]CC)CC1 ZINC001491361399 987134131 /nfs/dbraw/zinc/13/41/31/987134131.db2.gz QJQIBARTWYKAHE-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]CCC ZINC001491470357 987168834 /nfs/dbraw/zinc/16/88/34/987168834.db2.gz SJMYRVMVNWAVAX-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CCCCCCCC[C@@H](O)CNC1(C)C[NH2+]C1 ZINC001245981607 987257891 /nfs/dbraw/zinc/25/78/91/987257891.db2.gz PZHGVQPNEUZERR-CYBMUJFWSA-N 1 0 242.407 2.049 20 30 BEEDRO CCC[C@@H]1CN(c2cc(F)ccc2C#N)CC[NH2+]1 ZINC001472861831 987294350 /nfs/dbraw/zinc/29/43/50/987294350.db2.gz CZNQSOMGZJJCCG-CYBMUJFWSA-N 1 0 247.317 2.276 20 30 BEEDRO CN1CC[NH+]=C1NCCCC1CCCCC1 ZINC000694026471 987318785 /nfs/dbraw/zinc/31/87/85/987318785.db2.gz SZIINVWRNBVVLE-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]CCCCC#N ZINC000694053031 987321983 /nfs/dbraw/zinc/32/19/83/987321983.db2.gz WWUBRBPUHVDBGZ-GFCCVEGCSA-N 1 0 217.316 2.296 20 30 BEEDRO C=CCCCCCC[C@H](O)CN(CC)CC[NH3+] ZINC001246051711 987345155 /nfs/dbraw/zinc/34/51/55/987345155.db2.gz KAONLIIJTXRNPP-AWEZNQCLSA-N 1 0 242.407 2.155 20 30 BEEDRO CCCCCCCC[C@@H](O)CN1CC[C@H]([NH3+])C1 ZINC001246070912 987356558 /nfs/dbraw/zinc/35/65/58/987356558.db2.gz OVKGSXSRDBZCMU-UONOGXRCSA-N 1 0 242.407 2.131 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473306860 987395091 /nfs/dbraw/zinc/39/50/91/987395091.db2.gz YVAXMBHAHLYBEB-OAHLLOKOSA-N 1 0 242.322 2.242 20 30 BEEDRO CO[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001115843904 987400603 /nfs/dbraw/zinc/40/06/03/987400603.db2.gz XKDICPSCYFKUTO-UHFFFAOYSA-N 1 0 204.273 2.267 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(Cl)s1 ZINC001473362640 987404896 /nfs/dbraw/zinc/40/48/96/987404896.db2.gz CAYQAIVGMKCEED-HTQZYQBOSA-N 1 0 244.747 2.327 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1cccc(F)c1 ZINC001116396682 987552345 /nfs/dbraw/zinc/55/23/45/987552345.db2.gz LITNZHVIBQBKHN-GFCCVEGCSA-N 1 0 235.302 2.468 20 30 BEEDRO C#CCC1([NH2+]CCN2C[C@@H](C)C[C@H](C)C2)CCC1 ZINC001473820178 987575228 /nfs/dbraw/zinc/57/52/28/987575228.db2.gz ZLTHQBLEGUQXPU-GJZGRUSLSA-N 1 0 248.414 2.500 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1CCc1cnn(C)c1 ZINC001473857066 987586862 /nfs/dbraw/zinc/58/68/62/987586862.db2.gz BYPRIYINAOCCIX-AWEZNQCLSA-N 1 0 233.359 2.393 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1CCC(=O)N(C)CC ZINC001473857383 987590210 /nfs/dbraw/zinc/59/02/10/987590210.db2.gz PNZUVGZHTNRZHZ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[N@H+]1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)OCC ZINC001473906490 987613641 /nfs/dbraw/zinc/61/36/41/987613641.db2.gz HLUHJGMGIHDKBO-XQQFMLRXSA-N 1 0 237.343 2.369 20 30 BEEDRO N#CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC001246224646 987622495 /nfs/dbraw/zinc/62/24/95/987622495.db2.gz NSZSAYSESBVGPP-FUNVUKJBSA-N 1 0 233.359 2.085 20 30 BEEDRO C[C@@H]1CC[C@H](N[C@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232285 987628494 /nfs/dbraw/zinc/62/84/94/987628494.db2.gz WUHPCGUJLCGUKN-DDTOSNHZSA-N 1 0 247.317 2.120 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccn(CC)n1 ZINC001474128537 987647794 /nfs/dbraw/zinc/64/77/94/987647794.db2.gz WFBLRIVWLPZLPJ-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC001116644069 987656160 /nfs/dbraw/zinc/65/61/60/987656160.db2.gz WUNFYFPPHYPDAK-UPJWGTAASA-N 1 0 239.359 2.125 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]C23CCC(C#N)(CC2)CC3)CN1 ZINC001246264658 987658487 /nfs/dbraw/zinc/65/84/87/987658487.db2.gz NZFUGOJPUALYBM-ZUJMUWTESA-N 1 0 247.386 2.333 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]C23CCC(C#N)(CC2)CC3)CN1 ZINC001246264654 987660334 /nfs/dbraw/zinc/66/03/34/987660334.db2.gz NZFUGOJPUALYBM-HESLUPGFSA-N 1 0 247.386 2.333 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC001474407903 987714929 /nfs/dbraw/zinc/71/49/29/987714929.db2.gz HPYVZNBNGRAMCP-LBPRGKRZSA-N 1 0 239.359 2.357 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]CCNCCO ZINC001246380234 987776482 /nfs/dbraw/zinc/77/64/82/987776482.db2.gz UOFDNCJVTZHPLE-AWEZNQCLSA-N 1 0 244.423 2.297 20 30 BEEDRO C#C[C@H](CO)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC001474648804 987776957 /nfs/dbraw/zinc/77/69/57/987776957.db2.gz OZXXPFNKMQRPIR-ZWNOBZJWSA-N 1 0 237.730 2.027 20 30 BEEDRO C[C@H](Cc1ccno1)[NH2+]CC1(C#N)CCCC1 ZINC001474610154 987778089 /nfs/dbraw/zinc/77/80/89/987778089.db2.gz SEWLEKYDJGSYQQ-LLVKDONJSA-N 1 0 233.315 2.279 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC001474648892 987791581 /nfs/dbraw/zinc/79/15/81/987791581.db2.gz SNBOFEWMHBVNPR-HZSPNIEDSA-N 1 0 221.344 2.095 20 30 BEEDRO CCCCCCC[C@@H](CC)N[C@H]1C[NH2+]C[C@@H]1N ZINC001246445024 987803363 /nfs/dbraw/zinc/80/33/63/987803363.db2.gz FJGDIEGTGSUCDV-RDBSUJKOSA-N 1 0 241.423 2.014 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246461654 987819372 /nfs/dbraw/zinc/81/93/72/987819372.db2.gz DXHWTOWEIZMYKA-JHJVBQTASA-N 1 0 223.364 2.045 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CNC[C@H]4C[C@H]43)C[C@H](C1)C2 ZINC001246501158 987856731 /nfs/dbraw/zinc/85/67/31/987856731.db2.gz ANJBIBZAHSALKO-IKQLZHDRSA-N 1 0 246.398 2.319 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1CC[C@@H](SC)C1 ZINC001117705553 987869048 /nfs/dbraw/zinc/86/90/48/987869048.db2.gz VSMHGFDQUUSREA-NWDGAFQWSA-N 1 0 229.389 2.405 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001479288637 987894565 /nfs/dbraw/zinc/89/45/65/987894565.db2.gz FBWYMTSRIAZKDD-OKILXGFUSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(C)C[NH2+]C1CC(CNC(=O)[C@H](C)CC)C1 ZINC001479754846 987906829 /nfs/dbraw/zinc/90/68/29/987906829.db2.gz HYNIPYBQKWGMBU-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@H]1C=CCC1 ZINC001321455535 987908846 /nfs/dbraw/zinc/90/88/46/987908846.db2.gz RSBASGAMEPAJLW-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)NCC(C)C ZINC001117784597 987911437 /nfs/dbraw/zinc/91/14/37/987911437.db2.gz LBJAHXRCNAPUTG-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)C1CC(C)(C)C1 ZINC001479768500 987914891 /nfs/dbraw/zinc/91/48/91/987914891.db2.gz HQEVRYUYIIHDAO-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C1CC1 ZINC001321480395 987920826 /nfs/dbraw/zinc/92/08/26/987920826.db2.gz LWOMMYAEKQPNIW-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)CCC(C)C)C1CC1 ZINC001480002886 987934326 /nfs/dbraw/zinc/93/43/26/987934326.db2.gz YMUZJHKLTDFKQH-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001480039593 987939771 /nfs/dbraw/zinc/93/97/71/987939771.db2.gz FNUNEPUVBLHILR-ZFWWWQNUSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001480131601 987945820 /nfs/dbraw/zinc/94/58/20/987945820.db2.gz JRZHCCDSXDWJJG-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001480152337 987952520 /nfs/dbraw/zinc/95/25/20/987952520.db2.gz SEBDRRPZKIFWOP-YDHLFZDLSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CCCC)C1 ZINC001480151911 987952736 /nfs/dbraw/zinc/95/27/36/987952736.db2.gz HRKCEDAKIBLLMZ-HAQNSBGRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CC(C)C)C1 ZINC001480190676 987953189 /nfs/dbraw/zinc/95/31/89/987953189.db2.gz LVIKNJXXCASVLC-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO CC(C)(C)C[NH2+]CCNc1ncccc1C#N ZINC001321650490 987960778 /nfs/dbraw/zinc/96/07/78/987960778.db2.gz UDZKBJPSNOLDCR-UHFFFAOYSA-N 1 0 232.331 2.001 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CCCC[N@@H+]1CC=C ZINC001480312565 987961260 /nfs/dbraw/zinc/96/12/60/987961260.db2.gz NDZMLAIWIGGIOE-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001480220479 987962247 /nfs/dbraw/zinc/96/22/47/987962247.db2.gz PRWAAPZZBGRBMM-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@H](C)c1cnc(C)cn1 ZINC001117992792 987974778 /nfs/dbraw/zinc/97/47/78/987974778.db2.gz CXOCGTGXJUMPGW-GFCCVEGCSA-N 1 0 229.327 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CCCCC ZINC001480426346 987978786 /nfs/dbraw/zinc/97/87/86/987978786.db2.gz SAJYIIMOOUJGSP-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO CC#CC[NH2+]C[C@@H](C)NC(=O)CCCCCC ZINC001321731712 987984621 /nfs/dbraw/zinc/98/46/21/987984621.db2.gz KKCDVFPDYIGGFA-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]CCC(C)C ZINC001480518661 987994153 /nfs/dbraw/zinc/99/41/53/987994153.db2.gz PNHNACDBFRCXRR-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[NH2+]CCCC ZINC001480531644 988001624 /nfs/dbraw/zinc/00/16/24/988001624.db2.gz FDAZZVIRYLHHMT-TZMCWYRMSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C)c1ccccc1 ZINC001480574652 988005513 /nfs/dbraw/zinc/00/55/13/988005513.db2.gz HFFHKTAGGBIOFJ-QWHCGFSZSA-N 1 0 246.354 2.070 20 30 BEEDRO C=C(Cl)CN1CC[NH+](C(C)(C)C)CC1 ZINC001321830011 988018547 /nfs/dbraw/zinc/01/85/47/988018547.db2.gz PZLRJMWXWBXBRJ-UHFFFAOYSA-N 1 0 216.756 2.155 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001480789130 988037443 /nfs/dbraw/zinc/03/74/43/988037443.db2.gz AMMXIZWRZUBGSA-OCCSQVGLSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C1CCC1 ZINC001321885587 988039304 /nfs/dbraw/zinc/03/93/04/988039304.db2.gz BDNWCQAQIZBCQM-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1ccc[nH]1 ZINC001480841505 988045749 /nfs/dbraw/zinc/04/57/49/988045749.db2.gz TZOSYQUDOZTHID-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC(C)C)C1 ZINC001493174994 988067716 /nfs/dbraw/zinc/06/77/16/988067716.db2.gz URDCCXKXVJOSLD-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C(C)(C)CCC ZINC001493680135 988103772 /nfs/dbraw/zinc/10/37/72/988103772.db2.gz VGDKTRNRFYPSLL-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)C(C)(C)CC ZINC001493677609 988108715 /nfs/dbraw/zinc/10/87/15/988108715.db2.gz FELHKBHMBWOPLN-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246583697 988125439 /nfs/dbraw/zinc/12/54/39/988125439.db2.gz RLCTUPDSFGFXJK-NXEZZACHSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[NH2+]CC(C)C ZINC001118265878 988134134 /nfs/dbraw/zinc/13/41/34/988134134.db2.gz GQMGKERXLDNWAZ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001322130303 988134432 /nfs/dbraw/zinc/13/44/32/988134432.db2.gz STOYPIUEGJVSAU-AWEZNQCLSA-N 1 0 230.311 2.157 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC(=C)C ZINC001322219854 988155782 /nfs/dbraw/zinc/15/57/82/988155782.db2.gz XVJOTASDRABIMI-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C1(C)CCC1 ZINC001322221705 988158436 /nfs/dbraw/zinc/15/84/36/988158436.db2.gz AMWZRLHUAPDQKQ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001494702444 988174523 /nfs/dbraw/zinc/17/45/23/988174523.db2.gz WPSFFABEVVEEPC-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001494722748 988185846 /nfs/dbraw/zinc/18/58/46/988185846.db2.gz KGRDFNCVTPECNC-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001494841154 988188573 /nfs/dbraw/zinc/18/85/73/988188573.db2.gz FTUKEMPBPGAMIE-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CCC ZINC001494930404 988200594 /nfs/dbraw/zinc/20/05/94/988200594.db2.gz OKADXRYOFUJPPZ-SNVBAGLBSA-N 1 0 232.755 2.023 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC)CNC(=O)C(C)(F)F ZINC001494930882 988200923 /nfs/dbraw/zinc/20/09/23/988200923.db2.gz RJEFVOZYJGDDCE-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[C@H](C)CC ZINC001494971825 988202983 /nfs/dbraw/zinc/20/29/83/988202983.db2.gz VNTWHBPFHBFFCF-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)CCC(C)(F)F ZINC001495015068 988210612 /nfs/dbraw/zinc/21/06/12/988210612.db2.gz ZOMYXAVFLUKSJH-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCNC[C@H](O)C1 ZINC001246605294 988214527 /nfs/dbraw/zinc/21/45/27/988214527.db2.gz WOHCHVZZLDSZFJ-KBPBESRZSA-N 1 0 242.407 2.002 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)C(C)C ZINC001495068693 988218048 /nfs/dbraw/zinc/21/80/48/988218048.db2.gz IMRXUGVLXKZZIE-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C(C)(C)CC ZINC001495729674 988249812 /nfs/dbraw/zinc/24/98/12/988249812.db2.gz OGXNVVMDZOAJLL-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CC ZINC001496005634 988270547 /nfs/dbraw/zinc/27/05/47/988270547.db2.gz XSOZTDLZWRZADI-ONGXEEELSA-N 1 0 246.782 2.222 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CC ZINC001496001645 988273207 /nfs/dbraw/zinc/27/32/07/988273207.db2.gz ISNVDLRBFZANQR-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC(C)C ZINC001495993288 988273457 /nfs/dbraw/zinc/27/34/57/988273457.db2.gz REUNPEPBMNGYRP-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001496131594 988287279 /nfs/dbraw/zinc/28/72/79/988287279.db2.gz LGKVGWFRAGPQEA-FRRDWIJNSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C/C=C(\C)C=C ZINC001496142950 988287383 /nfs/dbraw/zinc/28/73/83/988287383.db2.gz XCDVZWWLXKQTJA-RPHSKFLZSA-N 1 0 236.359 2.131 20 30 BEEDRO C=CCCC(=O)N(C)CC[N@H+](C)CC=C(C)C ZINC001496671536 988323129 /nfs/dbraw/zinc/32/31/29/988323129.db2.gz IHIVPPHPDRQBEI-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C(C)(C)CCC ZINC001322672296 988362786 /nfs/dbraw/zinc/36/27/86/988362786.db2.gz DYTSNHSJBZCKEK-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ncccc1C#N ZINC001322680093 988365365 /nfs/dbraw/zinc/36/53/65/988365365.db2.gz DKQMUUXPLJCOQJ-QWHCGFSZSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001497465591 988383117 /nfs/dbraw/zinc/38/31/17/988383117.db2.gz YORULRCXTUIWQY-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001497465590 988384813 /nfs/dbraw/zinc/38/48/13/988384813.db2.gz YORULRCXTUIWQY-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C1CCC(C(=O)N(CC)CC[NH2+]CC)CC1 ZINC001497447122 988386650 /nfs/dbraw/zinc/38/66/50/988386650.db2.gz INIKVHPRYFJEFZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)c1ccccc1 ZINC001497517342 988389402 /nfs/dbraw/zinc/38/94/02/988389402.db2.gz IIBMYFAFJCOWAK-SREVYHEPSA-N 1 0 244.338 2.138 20 30 BEEDRO C=C/C(C)=C\CC(=O)NC/C=C\C[NH2+]CC(=C)C ZINC001497649363 988406194 /nfs/dbraw/zinc/40/61/94/988406194.db2.gz DOSRUDMQOGFBBO-PMAMELDRSA-N 1 0 248.370 2.347 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)/C(C)=C/C ZINC001497801436 988422260 /nfs/dbraw/zinc/42/22/60/988422260.db2.gz JTDWQBAELSCKEI-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C=C1C[C@@H]2CC(N3C[C@H]4C[C@@H](C3)[NH2+]4)C[C@H](C1)C2 ZINC001246677729 988424285 /nfs/dbraw/zinc/42/42/85/988424285.db2.gz MSQMWBMVRWHTJE-RRIFHVCJSA-N 1 0 232.371 2.167 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)CC ZINC001497895192 988432219 /nfs/dbraw/zinc/43/22/19/988432219.db2.gz SEOIKGUEYQQWPD-SNVBAGLBSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCNC[C@H]1C(C)C ZINC001246698057 988449471 /nfs/dbraw/zinc/44/94/71/988449471.db2.gz UVUXLXWEEHPRJR-OLZOCXBDSA-N 1 0 210.365 2.271 20 30 BEEDRO C[C@@H]1C[C@H](N(CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767337 988453923 /nfs/dbraw/zinc/45/39/23/988453923.db2.gz BWBHJHMUNLRKHA-TZMCWYRMSA-N 1 0 235.375 2.285 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001498108808 988456742 /nfs/dbraw/zinc/45/67/42/988456742.db2.gz IAPJIAHLZWCADS-FZMZJTMJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@H](CC)CC(C)C ZINC001498156545 988460419 /nfs/dbraw/zinc/46/04/19/988460419.db2.gz FFFORINKDXKTFG-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C(C)(C)C ZINC001498169125 988463543 /nfs/dbraw/zinc/46/35/43/988463543.db2.gz WMONYZZYOXVUEL-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1C ZINC001498216015 988469169 /nfs/dbraw/zinc/46/91/69/988469169.db2.gz MKMPAFOXAGHPPT-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC1(C)C ZINC001498535031 988493003 /nfs/dbraw/zinc/49/30/03/988493003.db2.gz XGBFFSQGUKPQEK-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001498614770 988495133 /nfs/dbraw/zinc/49/51/33/988495133.db2.gz NEQQGZUPTPOEAL-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](N)[C@@H](F)C3)C[C@H](C1)C2 ZINC001246819000 988503416 /nfs/dbraw/zinc/50/34/16/988503416.db2.gz HCTLVUSRQYERNA-PJIALRRASA-N 1 0 238.350 2.102 20 30 BEEDRO CC[C@@H](C)C[NH2+]CCNc1ncccc1C#N ZINC001323377622 988513729 /nfs/dbraw/zinc/51/37/29/988513729.db2.gz YKAMSGTXDYLENR-LLVKDONJSA-N 1 0 232.331 2.001 20 30 BEEDRO C[C@@H]1C[C@H](N(CC#N)Cc2ccccc2)CC[NH2+]1 ZINC001246832225 988529486 /nfs/dbraw/zinc/52/94/86/988529486.db2.gz GRABQIYDQBIZIL-UKRRQHHQSA-N 1 0 243.354 2.153 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)C ZINC001499070369 988530072 /nfs/dbraw/zinc/53/00/72/988530072.db2.gz DBUZSJKUXDYACA-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)c2ccc(C)o2)CC1 ZINC001499155367 988538185 /nfs/dbraw/zinc/53/81/85/988538185.db2.gz ZKZUEQMKHDGQNN-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C=CCCCCN(C)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246870514 988548929 /nfs/dbraw/zinc/54/89/29/988548929.db2.gz LJQPMFJUTMBSBJ-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc(F)cc1 ZINC001323567633 988554671 /nfs/dbraw/zinc/55/46/71/988554671.db2.gz MVPUKHLDZZJODK-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)C/C=C(/C)C=C)C1 ZINC001499731732 988558612 /nfs/dbraw/zinc/55/86/12/988558612.db2.gz HMZIFMCIHXYRNX-JYRVWZFOSA-N 1 0 248.370 2.228 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH2+]CC)C[C@@H]1C ZINC001499845544 988559265 /nfs/dbraw/zinc/55/92/65/988559265.db2.gz ZWXIOYHLNRQHDK-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCC(C)(NC(C)=O)CC1 ZINC001499958596 988562653 /nfs/dbraw/zinc/56/26/53/988562653.db2.gz VSKJPZMOZZXEBQ-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001499922868 988563243 /nfs/dbraw/zinc/56/32/43/988563243.db2.gz MMSZHTPZJLOSEL-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)C1(C)CC=CC1 ZINC001499922867 988564054 /nfs/dbraw/zinc/56/40/54/988564054.db2.gz MMSZHTPZJLOSEL-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)CC ZINC001499889252 988564732 /nfs/dbraw/zinc/56/47/32/988564732.db2.gz SRXZMTMIWRMKKW-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001499889255 988565454 /nfs/dbraw/zinc/56/54/54/988565454.db2.gz SRXZMTMIWRMKKW-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)C(CC)CC)C1 ZINC001500183307 988574161 /nfs/dbraw/zinc/57/41/61/988574161.db2.gz KJMIWNUQKSYJOV-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@](C)(C[NH2+]CC)C1 ZINC001500368362 988583290 /nfs/dbraw/zinc/58/32/90/988583290.db2.gz QPCJPHORVVASEE-AWEZNQCLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)CCCC ZINC001502160007 988629855 /nfs/dbraw/zinc/62/98/55/988629855.db2.gz RWLIQDDQXVWZTH-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C)[C@@H](N)C3)C[C@H](C1)C2 ZINC001246881896 988649351 /nfs/dbraw/zinc/64/93/51/988649351.db2.gz OSSMLSPPLDYJLL-YYJFMHSASA-N 1 0 234.387 2.400 20 30 BEEDRO C#CC[N@@H+](Cc1cccc2n[nH]cc21)CC1CC1 ZINC001118881413 988667266 /nfs/dbraw/zinc/66/72/66/988667266.db2.gz VFAUCSJRFOXVCK-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]C(C)C)C[C@H]1C ZINC001324053260 988679380 /nfs/dbraw/zinc/67/93/80/988679380.db2.gz VBOGVWBBTZPVGJ-OLZOCXBDSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC ZINC001505443553 988683357 /nfs/dbraw/zinc/68/33/57/988683357.db2.gz MDOWOYCEZSEONG-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CCC(=O)NC1CC(C[NH2+]CCC)C1 ZINC001505498146 988685224 /nfs/dbraw/zinc/68/52/24/988685224.db2.gz CYJVTVPKUYTWTO-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)CCC ZINC001505417062 988685312 /nfs/dbraw/zinc/68/53/12/988685312.db2.gz AMPRRJPFQCSUMH-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)C ZINC001505563086 988692311 /nfs/dbraw/zinc/69/23/11/988692311.db2.gz WIKDVRPEMPHAHK-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(CC)CC ZINC001505561234 988693788 /nfs/dbraw/zinc/69/37/88/988693788.db2.gz JTFWURMGFWKTIO-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+](C)CCO)C[C@H](C1)C2 ZINC001246911207 988698214 /nfs/dbraw/zinc/69/82/14/988698214.db2.gz GJVWTHXBGMGLFZ-FUNVUKJBSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)CCC ZINC001505680900 988704343 /nfs/dbraw/zinc/70/43/43/988704343.db2.gz GTBNYXOTWUETNH-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C ZINC001505613241 988704512 /nfs/dbraw/zinc/70/45/12/988704512.db2.gz FQBWKEIKVDKTCR-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001505735652 988709829 /nfs/dbraw/zinc/70/98/29/988709829.db2.gz NSZCBJQQSQKUHS-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(CC)CC ZINC001505874370 988730565 /nfs/dbraw/zinc/73/05/65/988730565.db2.gz RCNOSVRXUAGOGK-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCN([C@H]1CCCC[NH2+]C1)C(C)(C)C ZINC001246919750 988731857 /nfs/dbraw/zinc/73/18/57/988731857.db2.gz KMPFVSRTTWSFGP-LBPRGKRZSA-N 1 0 210.365 2.415 20 30 BEEDRO C#C[C@H](NCc1cc(C)n[nH]1)c1ccc(F)cc1 ZINC001324270387 988772518 /nfs/dbraw/zinc/77/25/18/988772518.db2.gz QUTTUNUWLKUZPM-AWEZNQCLSA-N 1 0 243.285 2.321 20 30 BEEDRO C=C(C)C[NH+]1CC([C@H](C)NC(=O)C=C2CCC2)C1 ZINC001506612236 988789572 /nfs/dbraw/zinc/78/95/72/988789572.db2.gz RKSTZMBETKMPQI-LBPRGKRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C=C2CCC2)C1 ZINC001506612233 988791125 /nfs/dbraw/zinc/79/11/25/988791125.db2.gz RKSTZMBETKMPQI-GFCCVEGCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001506896154 988796469 /nfs/dbraw/zinc/79/64/69/988796469.db2.gz JIUWIPBKZBXBMC-JOCQHMNTSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001506874472 988797151 /nfs/dbraw/zinc/79/71/51/988797151.db2.gz HGNLONBKAALCPF-MGPQQGTHSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CCCC ZINC001507049050 988808284 /nfs/dbraw/zinc/80/82/84/988808284.db2.gz SEELXQOAMJJLRG-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCCC)[C@@H]1C ZINC001507275616 988834004 /nfs/dbraw/zinc/83/40/04/988834004.db2.gz ZROOVTFJEHACDO-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO COC1(C[NH+]2CCC(CC#N)CC2)CCC1 ZINC001119235801 988852347 /nfs/dbraw/zinc/85/23/47/988852347.db2.gz QOOBMEQPIMECPE-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC)[C@H]1C ZINC001278492611 989011443 /nfs/dbraw/zinc/01/14/43/989011443.db2.gz FPHNPHWMPZFDND-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)CCC)[C@@H]1C ZINC001278492614 989014938 /nfs/dbraw/zinc/01/49/38/989014938.db2.gz FPHNPHWMPZFDND-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)NC[C@@]1(C)CCC[N@@H+](CC)C1 ZINC001324923412 989021434 /nfs/dbraw/zinc/02/14/34/989021434.db2.gz YTGJBMLBBRLCJH-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001324968548 989037327 /nfs/dbraw/zinc/03/73/27/989037327.db2.gz WKEGIEVZFHPYCE-AWEZNQCLSA-N 1 0 232.327 2.167 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001325011362 989057088 /nfs/dbraw/zinc/05/70/88/989057088.db2.gz POIXBMZQPGKTCV-WCQYABFASA-N 1 0 235.327 2.114 20 30 BEEDRO C=CCO[C@@H]1CCN(c2cc[nH+]c(CC)c2)C1 ZINC001325182088 989107054 /nfs/dbraw/zinc/10/70/54/989107054.db2.gz QTEOAMDKVRTDEG-CQSZACIVSA-N 1 0 232.327 2.425 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC001119534822 989137426 /nfs/dbraw/zinc/13/74/26/989137426.db2.gz MJFPKACBFIRCOU-ZSBIGDGJSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC001325302147 989149919 /nfs/dbraw/zinc/14/99/19/989149919.db2.gz BGOQDYMXEXNPIX-LBPRGKRZSA-N 1 0 221.300 2.365 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@@H]2CCC2(C)C)CC1 ZINC001517137858 989204149 /nfs/dbraw/zinc/20/41/49/989204149.db2.gz SQVFGDQGYWMHRP-ZDUSSCGKSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC001325619464 989218238 /nfs/dbraw/zinc/21/82/38/989218238.db2.gz GMSDLIQMMKKAOB-GXTWGEPZSA-N 1 0 249.354 2.417 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001119614366 989242624 /nfs/dbraw/zinc/24/26/24/989242624.db2.gz XNCTUWOFDGSZAY-FZMZJTMJSA-N 1 0 247.338 2.301 20 30 BEEDRO C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC001325724369 989245431 /nfs/dbraw/zinc/24/54/31/989245431.db2.gz WRDZSMJVXHIZJW-WDEREUQCSA-N 1 0 249.333 2.346 20 30 BEEDRO CC[NH+](CC)Cc1cnn2ccc(C#N)cc12 ZINC001249082138 989250361 /nfs/dbraw/zinc/25/03/61/989250361.db2.gz IRILZXGALQUMRM-UHFFFAOYSA-N 1 0 228.299 2.048 20 30 BEEDRO C[N@H+](Cc1cnn2ccc(C#N)cc12)C(C)(C)C ZINC001249098922 989253408 /nfs/dbraw/zinc/25/34/08/989253408.db2.gz HYTWTPHDIRYDKV-UHFFFAOYSA-N 1 0 242.326 2.436 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CC2CCC1CC2 ZINC001119632403 989267597 /nfs/dbraw/zinc/26/75/97/989267597.db2.gz TYWAXRZZMZSKNX-FIYWTHMPSA-N 1 0 209.333 2.356 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cccc(CC#N)n1 ZINC001325951155 989317626 /nfs/dbraw/zinc/31/76/26/989317626.db2.gz IZHAQBSSVMEJKP-LBPRGKRZSA-N 1 0 246.358 2.290 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC001119691491 989338975 /nfs/dbraw/zinc/33/89/75/989338975.db2.gz JTMKCKIQMOJJDV-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO COC/C(C)=C\C[NH+]1CCC(C)(C#N)CC1 ZINC001119781288 989397533 /nfs/dbraw/zinc/39/75/33/989397533.db2.gz PBBNFHFSHYPNGG-QCDXTXTGSA-N 1 0 222.332 2.205 20 30 BEEDRO CC[N@H+](C[C@H](O)CC#N)[C@@H]1CCCC[C@H]1C ZINC001119836165 989435815 /nfs/dbraw/zinc/43/58/15/989435815.db2.gz AUCGMPXJJTYPDY-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO N#C[C@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC001119976665 989532011 /nfs/dbraw/zinc/53/20/11/989532011.db2.gz HCKRSYQNVSZPLX-LLVKDONJSA-N 1 0 240.310 2.298 20 30 BEEDRO C=C(CC)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC001520380773 989551961 /nfs/dbraw/zinc/55/19/61/989551961.db2.gz LZYPKTDKAYDIOW-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(CC)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC001520818392 989611752 /nfs/dbraw/zinc/61/17/52/989611752.db2.gz DTQOBGHMWOOPSP-WCQYABFASA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccc1 ZINC001326600362 989623633 /nfs/dbraw/zinc/62/36/33/989623633.db2.gz VYZRSBYRNYELHV-OBJOEFQTSA-N 1 0 217.312 2.110 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2C=CCCC2)cc1 ZINC001326599068 989623833 /nfs/dbraw/zinc/62/38/33/989623833.db2.gz KRMWQFURYLBKRK-CABCVRRESA-N 1 0 242.322 2.290 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2C=CCCC2)cc1 ZINC001326599118 989623848 /nfs/dbraw/zinc/62/38/48/989623848.db2.gz KRMWQFURYLBKRK-LSDHHAIUSA-N 1 0 242.322 2.290 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1 ZINC001120493119 989676994 /nfs/dbraw/zinc/67/69/94/989676994.db2.gz SBKREUVOACDQKU-LLVKDONJSA-N 1 0 218.300 2.179 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001120573286 989743253 /nfs/dbraw/zinc/74/32/53/989743253.db2.gz NSCWWYDXWIIAFA-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC001521597904 989755728 /nfs/dbraw/zinc/75/57/28/989755728.db2.gz RIPWLGHGTPDJKU-ZDUSSCGKSA-N 1 0 240.391 2.434 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)CC)c1ccc(Cl)cc1 ZINC001120590913 989757255 /nfs/dbraw/zinc/75/72/55/989757255.db2.gz SUDGNVQPQDJLDE-CHWSQXEVSA-N 1 0 237.730 2.375 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001521733427 989786925 /nfs/dbraw/zinc/78/69/25/989786925.db2.gz UFFMHPYXTVHACI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC001120626580 989798440 /nfs/dbraw/zinc/79/84/40/989798440.db2.gz NBVKIWJFLJJYHW-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC001521894212 989814795 /nfs/dbraw/zinc/81/47/95/989814795.db2.gz VNLYROBVUDBEHG-MNOVXSKESA-N 1 0 226.364 2.221 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC001120698598 989836978 /nfs/dbraw/zinc/83/69/78/989836978.db2.gz NIICFUUWTWIKPV-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC1(CC(=O)N(C)C[C@H](C)[NH3+])CCCCC1 ZINC001522232295 989839034 /nfs/dbraw/zinc/83/90/34/989839034.db2.gz PHUBIERPONVIDR-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CCC1(C)C ZINC001522418040 989850419 /nfs/dbraw/zinc/85/04/19/989850419.db2.gz OBICYTRBPXEXMH-NEPJUHHUSA-N 1 0 238.375 2.460 20 30 BEEDRO CC[C@H](CNc1cc(C#N)ccn1)[NH+]1CCCC1 ZINC001120805264 989890137 /nfs/dbraw/zinc/89/01/37/989890137.db2.gz YMGLDRQYILUKHS-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc(C#N)cn1 ZINC001121094684 990009040 /nfs/dbraw/zinc/00/90/40/990009040.db2.gz KYLAYDUSFOIJMK-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C=C(C)CCC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC001121192191 990040589 /nfs/dbraw/zinc/04/05/89/990040589.db2.gz XAQNXTWDERBDQG-UHFFFAOYSA-N 1 0 247.342 2.120 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CCC)CC(F)F ZINC001121944458 990149258 /nfs/dbraw/zinc/14/92/58/990149258.db2.gz PKYBSKRFISSOHL-JTQLQIEISA-N 1 0 248.317 2.174 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C[C@H](C)C2CC2)CC1 ZINC001526630324 990164417 /nfs/dbraw/zinc/16/44/17/990164417.db2.gz OWWGUPLOGKMDRD-LBPRGKRZSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC001122404060 990375082 /nfs/dbraw/zinc/37/50/82/990375082.db2.gz OKCXJZNNYSJACP-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC1CCCCC1 ZINC001123143162 990519701 /nfs/dbraw/zinc/51/97/01/990519701.db2.gz FJZXUBJWQDOYOU-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CCC([NH+](C)C)CC1 ZINC001123560548 990611544 /nfs/dbraw/zinc/61/15/44/990611544.db2.gz OCPIYNMAJQSROL-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC001123661771 990638930 /nfs/dbraw/zinc/63/89/30/990638930.db2.gz HLCWQBCNQAAKQL-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC001123837238 990681772 /nfs/dbraw/zinc/68/17/72/990681772.db2.gz HTICWKFOPRYOPB-CYBMUJFWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]C[C@H](C)CC(C)C ZINC001124640862 990800236 /nfs/dbraw/zinc/80/02/36/990800236.db2.gz RJAZLCUKCJVUFR-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]Cc1ccccc1C ZINC001124636423 990801088 /nfs/dbraw/zinc/80/10/88/990801088.db2.gz NXHDLXLHKISADP-UHFFFAOYSA-N 1 0 246.354 2.167 20 30 BEEDRO C=C(C)CNC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001556277112 990818362 /nfs/dbraw/zinc/81/83/62/990818362.db2.gz BZPRIOXYGXZNBS-UHFFFAOYSA-N 1 0 248.326 2.181 20 30 BEEDRO C=CCCCNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001556474185 990828448 /nfs/dbraw/zinc/82/84/48/990828448.db2.gz CAXLTGRTIPPBKQ-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC1CC[NH+](Cc2cc(O)cc(O)c2)CC1 ZINC001138329929 990922098 /nfs/dbraw/zinc/92/20/98/990922098.db2.gz MXCBGKZVTDVOAG-UHFFFAOYSA-N 1 0 246.310 2.223 20 30 BEEDRO C#CCCC[NH2+]Cc1c(Cl)ncn1CC ZINC001308395602 990982546 /nfs/dbraw/zinc/98/25/46/990982546.db2.gz BYYZPLMAYQOZRJ-UHFFFAOYSA-N 1 0 225.723 2.059 20 30 BEEDRO C=CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC001138627735 990986924 /nfs/dbraw/zinc/98/69/24/990986924.db2.gz FDLDXQHPKBVAPS-KBPBESRZSA-N 1 0 245.322 2.094 20 30 BEEDRO C=C(C)COc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001138663114 990997005 /nfs/dbraw/zinc/99/70/05/990997005.db2.gz MYVXPEWWNCOXFM-CQSZACIVSA-N 1 0 247.338 2.208 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001558874655 991002805 /nfs/dbraw/zinc/00/28/05/991002805.db2.gz BCPBMELLNMKMRQ-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CCOC(=O)CCC[C@@H](C)[NH2+]CCCS ZINC001258108122 991016343 /nfs/dbraw/zinc/01/63/43/991016343.db2.gz FQNIYYGGQDOHCN-SNVBAGLBSA-N 1 0 233.377 2.018 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CCCC(=O)OCC ZINC001258106499 991016682 /nfs/dbraw/zinc/01/66/82/991016682.db2.gz DBQGWPDLBCXDGP-JSGCOSHPSA-N 1 0 239.359 2.500 20 30 BEEDRO C=CCCCCNC(=O)C1([NH+](C)C)CCCC1 ZINC001138713639 991019420 /nfs/dbraw/zinc/01/94/20/991019420.db2.gz AXMSNZLOMKKUKV-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2CCOC2)c1 ZINC001308551524 991037267 /nfs/dbraw/zinc/03/72/67/991037267.db2.gz IBINSRLEQVRZIX-ZDUSSCGKSA-N 1 0 233.311 2.130 20 30 BEEDRO C#CCN1CC[NH+]([C@H]2C[C@H](C)C[C@H](C)C2)CC1 ZINC001258168761 991066387 /nfs/dbraw/zinc/06/63/87/991066387.db2.gz QNHXPKHGRKKDBG-FICVDOATSA-N 1 0 234.387 2.062 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3ccnn32)CC1 ZINC001138807842 991071111 /nfs/dbraw/zinc/07/11/11/991071111.db2.gz YVNCSVMSJDQNDJ-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001308632334 991072350 /nfs/dbraw/zinc/07/23/50/991072350.db2.gz XVRYPSSZFNYZEK-GFCCVEGCSA-N 1 0 229.323 2.465 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCc1nc(C)n[nH]1 ZINC001308675987 991091518 /nfs/dbraw/zinc/09/15/18/991091518.db2.gz IQWUTSBMFMNEPZ-GFCCVEGCSA-N 1 0 236.363 2.380 20 30 BEEDRO CC(C)(C)OC(=O)C1CC([NH2+]CCCC#N)C1 ZINC001308687449 991094793 /nfs/dbraw/zinc/09/47/93/991094793.db2.gz XITSGBKUELNMHK-UHFFFAOYSA-N 1 0 238.331 2.000 20 30 BEEDRO CCCn1cc(C[NH+]2CCC(S)CC2)cn1 ZINC001139040156 991127733 /nfs/dbraw/zinc/12/77/33/991127733.db2.gz UQVVYSGPNXHOBL-UHFFFAOYSA-N 1 0 239.388 2.187 20 30 BEEDRO CC(C)OC1CC([NH+]2CCC(C#N)CC2)C1 ZINC001559507947 991131155 /nfs/dbraw/zinc/13/11/55/991131155.db2.gz CICVYXLSYGJKBB-UHFFFAOYSA-N 1 0 222.332 2.178 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@H]1C(C)=CCC[C@H]1C ZINC001308813594 991150072 /nfs/dbraw/zinc/15/00/72/991150072.db2.gz VCMBFDDELIPPTR-KFWWJZLASA-N 1 0 233.355 2.313 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC001559566589 991160817 /nfs/dbraw/zinc/16/08/17/991160817.db2.gz JHXADOUFEPISFG-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)c1cccc(C#N)c1 ZINC001308938370 991225019 /nfs/dbraw/zinc/22/50/19/991225019.db2.gz KRZYRMRWORBJOG-OADPDTJPSA-N 1 0 242.322 2.244 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@@H]3CCCC[C@@H]32)CCOCC1 ZINC001308976594 991248444 /nfs/dbraw/zinc/24/84/44/991248444.db2.gz ICLJXIFWQINABL-IHRRRGAJSA-N 1 0 248.370 2.475 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)CC(C)(C)SC ZINC001258349554 991278472 /nfs/dbraw/zinc/27/84/72/991278472.db2.gz NNBYLNVGWYUBKI-LBPRGKRZSA-N 1 0 223.385 2.475 20 30 BEEDRO C[C@@H]1CN(C2CC2)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001559872958 991299624 /nfs/dbraw/zinc/29/96/24/991299624.db2.gz HRBFMHXWJMRHPE-IPYPFGDCSA-N 1 0 247.386 2.095 20 30 BEEDRO Cc1ccc(C[NH+]2CC3(C2)CCOC3)cc1C#N ZINC001139722779 991341774 /nfs/dbraw/zinc/34/17/74/991341774.db2.gz FYYRCVOJHFDCJA-UHFFFAOYSA-N 1 0 242.322 2.089 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258414673 991350579 /nfs/dbraw/zinc/35/05/79/991350579.db2.gz DMQJRBBSPFYYTB-GFCCVEGCSA-N 1 0 246.329 2.406 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC001139766287 991356605 /nfs/dbraw/zinc/35/66/05/991356605.db2.gz OKDWZEFQLUJGMK-GFCCVEGCSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CCn1cc(C[N@@H+](C)[C@@H](C)CC)cn1 ZINC001139767969 991361445 /nfs/dbraw/zinc/36/14/45/991361445.db2.gz GNRDYRBKXCTVGA-NSHDSACASA-N 1 0 207.321 2.299 20 30 BEEDRO C=CCn1cc(C[NH+]2CCCCCC2)cn1 ZINC001139766942 991361554 /nfs/dbraw/zinc/36/15/54/991361554.db2.gz ZJRLUAQXLOFFQQ-UHFFFAOYSA-N 1 0 219.332 2.445 20 30 BEEDRO C=CCn1cc(C[N@@H+](CC)C2CC2)cn1 ZINC001139766919 991362076 /nfs/dbraw/zinc/36/20/76/991362076.db2.gz YUQRLDKIBGSBPC-UHFFFAOYSA-N 1 0 205.305 2.053 20 30 BEEDRO C=CCn1cc(C[N@H+](C)C[C@@H]2CCCCO2)cn1 ZINC001139770579 991366649 /nfs/dbraw/zinc/36/66/49/991366649.db2.gz SFDHKBDASIGGQQ-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCn1cc(C[N@@H+](C)C(C)(C)C)cn1 ZINC001139770149 991366761 /nfs/dbraw/zinc/36/67/61/991366761.db2.gz FGENJRDHVSKIDH-UHFFFAOYSA-N 1 0 207.321 2.299 20 30 BEEDRO C=CCn1cc(C[N@H+]2CC[C@@H](OC)C[C@H]2C)cn1 ZINC001139774572 991369903 /nfs/dbraw/zinc/36/99/03/991369903.db2.gz MSSOQKDCUGBGBC-TZMCWYRMSA-N 1 0 249.358 2.068 20 30 BEEDRO C[C@@H](CC1CC1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001258449203 991395131 /nfs/dbraw/zinc/39/51/31/991395131.db2.gz YBZUDKRGGCDYQG-JTQLQIEISA-N 1 0 227.311 2.452 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(c2ncccn2)CC1 ZINC001560157083 991397568 /nfs/dbraw/zinc/39/75/68/991397568.db2.gz MEHWUZGPOSZJND-GFCCVEGCSA-N 1 0 244.342 2.348 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCCC[C@@H]2O)CCC1 ZINC001560165572 991399471 /nfs/dbraw/zinc/39/94/71/991399471.db2.gz OYZSFGKGEYYIBN-OLZOCXBDSA-N 1 0 221.344 2.073 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1ncc(C#N)s1 ZINC001258454803 991407385 /nfs/dbraw/zinc/40/73/85/991407385.db2.gz QZCWNHZCAOIGDY-MRVPVSSYSA-N 1 0 221.329 2.293 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1CCN1CCCC1=O ZINC001560200154 991409972 /nfs/dbraw/zinc/40/99/72/991409972.db2.gz OCSKWVMMZCHBFY-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(Cl)C[N@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001560204244 991418670 /nfs/dbraw/zinc/41/86/70/991418670.db2.gz DCNSORYSWXOOHK-VHSXEESVSA-N 1 0 217.765 2.424 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)CCC(C)C ZINC001560209759 991419111 /nfs/dbraw/zinc/41/91/11/991419111.db2.gz XEFZLRAZKULXHH-ZIAGYGMSSA-N 1 0 223.360 2.271 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC)[C@H]1C ZINC001316776346 991422014 /nfs/dbraw/zinc/42/20/14/991422014.db2.gz VJBDMUNWTHWQII-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCOCC[N@@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001560235281 991431089 /nfs/dbraw/zinc/43/10/89/991431089.db2.gz GJVLIWBJKBIHLC-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@@]1(CO)c1ccccc1 ZINC001560231448 991432362 /nfs/dbraw/zinc/43/23/62/991432362.db2.gz SZIVSDLVMXBCMZ-OAHLLOKOSA-N 1 0 244.338 2.274 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cccnn1 ZINC001139973755 991443065 /nfs/dbraw/zinc/44/30/65/991443065.db2.gz HVJCPLPCWIJERA-UHFFFAOYSA-N 1 0 205.305 2.265 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001317089723 991450956 /nfs/dbraw/zinc/45/09/56/991450956.db2.gz WENSWOSESMNBBO-YRGRVCCFSA-N 1 0 238.375 2.234 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccoc2)C1 ZINC001317102010 991451253 /nfs/dbraw/zinc/45/12/53/991451253.db2.gz KKQGNFVUPOLMBJ-BETUJISGSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H](C)CCC(=O)OCC ZINC001258496649 991464032 /nfs/dbraw/zinc/46/40/32/991464032.db2.gz UWHBMRJOHICCKS-LBPRGKRZSA-N 1 0 225.332 2.392 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1ccnnc1 ZINC001139985136 991464602 /nfs/dbraw/zinc/46/46/02/991464602.db2.gz LZHPVLUCRSBZCD-UHFFFAOYSA-N 1 0 205.305 2.265 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C)CCC ZINC001317229500 991469595 /nfs/dbraw/zinc/46/95/95/991469595.db2.gz FLSTYMOYZZTMDV-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC001560429665 991475269 /nfs/dbraw/zinc/47/52/69/991475269.db2.gz XCTMFNBBPZFQCB-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CCCC[NH2+]Cc1snc(OC)c1Cl ZINC001560463050 991480846 /nfs/dbraw/zinc/48/08/46/991480846.db2.gz YFZBUTBTYHHISH-UHFFFAOYSA-N 1 0 244.747 2.308 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CCCC1CC1 ZINC001317261758 991480873 /nfs/dbraw/zinc/48/08/73/991480873.db2.gz NOHLRDRBKMLGBX-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)CC ZINC001317271398 991483821 /nfs/dbraw/zinc/48/38/21/991483821.db2.gz ZVUPJWQTJCSDCX-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001317297158 991487663 /nfs/dbraw/zinc/48/76/63/991487663.db2.gz QOWVGEHILMCJHR-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001317281070 991488843 /nfs/dbraw/zinc/48/88/43/991488843.db2.gz OEIUFKHXMZULBI-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccccc1-n1ccnc1C ZINC001140027918 991489422 /nfs/dbraw/zinc/48/94/22/991489422.db2.gz GTCJYUFRLFLJDJ-UHFFFAOYSA-N 1 0 239.322 2.246 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001317297596 991491942 /nfs/dbraw/zinc/49/19/42/991491942.db2.gz ZHJSUBPCHRUHKM-UWUHSAQLSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC1([NH2+]Cc2ccn(CC)n2)CCOCC1 ZINC001560526328 991493784 /nfs/dbraw/zinc/49/37/84/991493784.db2.gz MMBWEYNNPFFINO-UHFFFAOYSA-N 1 0 249.358 2.118 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)/C=C(\C)CC ZINC001317442945 991511284 /nfs/dbraw/zinc/51/12/84/991511284.db2.gz FDKCXUUPOTVSPS-ACCUITESSA-N 1 0 238.375 2.357 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140114806 991522128 /nfs/dbraw/zinc/52/21/28/991522128.db2.gz AMKCRVPEFOZZIE-UHFFFAOYSA-N 1 0 223.279 2.105 20 30 BEEDRO CC[N@H+](C)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140111463 991523196 /nfs/dbraw/zinc/52/31/96/991523196.db2.gz JNTRIDUDDMOTAD-UHFFFAOYSA-N 1 0 213.284 2.491 20 30 BEEDRO N#Cc1ccc2[nH]cc(C[NH+]3CC=CC3)c2c1 ZINC001140111016 991523451 /nfs/dbraw/zinc/52/34/51/991523451.db2.gz WTPLVYGGCBSPCK-UHFFFAOYSA-N 1 0 223.279 2.411 20 30 BEEDRO C=C1CCC(C(=O)NCC[N@@H+](C)CCC)CC1 ZINC001317458857 991532174 /nfs/dbraw/zinc/53/21/74/991532174.db2.gz DNMBUGMBKYVSGD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(F)c1 ZINC001140140410 991541661 /nfs/dbraw/zinc/54/16/61/991541661.db2.gz WRVUFTTWHBHJKG-XYYAHUGASA-N 1 0 248.276 2.345 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC(C)(C)C1 ZINC001317632222 991566992 /nfs/dbraw/zinc/56/69/92/991566992.db2.gz GXWRAVNFOLNRLS-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC[NH2+]C(C)C ZINC001317624442 991570518 /nfs/dbraw/zinc/57/05/18/991570518.db2.gz SHJZCXMHKWLSBI-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO N#C[C@H]1CCN(Cc2c[nH]c3cccc(O)c23)C1 ZINC001140235397 991571706 /nfs/dbraw/zinc/57/17/06/991571706.db2.gz GOLQYPUNJCHUQR-SNVBAGLBSA-N 1 0 241.294 2.219 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@H](CC)CCC ZINC001317645638 991572792 /nfs/dbraw/zinc/57/27/92/991572792.db2.gz MYHGQFSPILESHX-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO CC#CCC[NH2+]Cc1cccn1C1CC1 ZINC001560722937 991573549 /nfs/dbraw/zinc/57/35/49/991573549.db2.gz BPQWXXIQCAUURG-UHFFFAOYSA-N 1 0 202.301 2.326 20 30 BEEDRO CC#CCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC001560722936 991575122 /nfs/dbraw/zinc/57/51/22/991575122.db2.gz BMCFABZYLHOVJL-UHFFFAOYSA-N 1 0 217.316 2.111 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CCCN(CC)C1 ZINC001560837114 991619030 /nfs/dbraw/zinc/61/90/30/991619030.db2.gz JTPAVMBAABPEHL-GFCCVEGCSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC001258718058 991644974 /nfs/dbraw/zinc/64/49/74/991644974.db2.gz FACPXVLGXSITHM-BXUZGUMPSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC001258718060 991645009 /nfs/dbraw/zinc/64/50/09/991645009.db2.gz FACPXVLGXSITHM-RISCZKNCSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001258718983 991649014 /nfs/dbraw/zinc/64/90/14/991649014.db2.gz ZJPOMMZMMJPKEC-GXTWGEPZSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCOc1ccccn1 ZINC001258719524 991649036 /nfs/dbraw/zinc/64/90/36/991649036.db2.gz GJHHSENTCQIGGU-LBPRGKRZSA-N 1 0 220.316 2.405 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1F ZINC001258719818 991649432 /nfs/dbraw/zinc/64/94/32/991649432.db2.gz KODJVZFKVKNXJD-AXFHLTTASA-N 1 0 201.285 2.058 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001318357848 991651074 /nfs/dbraw/zinc/65/10/74/991651074.db2.gz HEDBAKDCGOQGDR-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001258720256 991652415 /nfs/dbraw/zinc/65/24/15/991652415.db2.gz WBAXVGAGTCZVRY-PWSUYJOCSA-N 1 0 219.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)[C@@H](O)c1ccccc1 ZINC001258720347 991652728 /nfs/dbraw/zinc/65/27/28/991652728.db2.gz ZQJWCYLPOLYPIN-SNPRPXQTSA-N 1 0 249.354 2.025 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCCN(CC=C)C1=O ZINC001258721088 991652964 /nfs/dbraw/zinc/65/29/64/991652964.db2.gz MOMWAVOIIXGQMQ-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(CCF)cn1 ZINC001258722279 991656329 /nfs/dbraw/zinc/65/63/29/991656329.db2.gz FSMXGGIREALYFV-LLVKDONJSA-N 1 0 225.311 2.297 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)c1ccncc1 ZINC001258722488 991656469 /nfs/dbraw/zinc/65/64/69/991656469.db2.gz PHZSFYSWZAOMFM-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1CCN(CCF)CC1 ZINC001258722945 991657149 /nfs/dbraw/zinc/65/71/49/991657149.db2.gz WRQRXZRJPZBXNJ-LBPRGKRZSA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2nnc(C)n2c1 ZINC001258723845 991660046 /nfs/dbraw/zinc/66/00/46/991660046.db2.gz HELYSLUGSWCHLC-LLVKDONJSA-N 1 0 244.342 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C(=O)N(C)C)[C@@H](C)CC ZINC001258724246 991660051 /nfs/dbraw/zinc/66/00/51/991660051.db2.gz RJTLFCPAEAULTN-AVGNSLFASA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[C@H](C)n1cnc2c1C[NH2+]CC2 ZINC001258724971 991662433 /nfs/dbraw/zinc/66/24/33/991662433.db2.gz HCTUTIYWDKPUNO-JTQLQIEISA-N 1 0 205.305 2.056 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC001258725382 991662637 /nfs/dbraw/zinc/66/26/37/991662637.db2.gz KVWYAPVNADVQGQ-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ncccc2F)C1 ZINC001560947765 991663673 /nfs/dbraw/zinc/66/36/73/991663673.db2.gz HFOFRIUTISIKJN-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140540602 991664248 /nfs/dbraw/zinc/66/42/48/991664248.db2.gz DAZMQFVGDFOHTH-LLVKDONJSA-N 1 0 215.300 2.328 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1(CC(=O)OCC)CC1 ZINC001258726481 991667788 /nfs/dbraw/zinc/66/77/88/991667788.db2.gz VMWFPXNWVJKGAO-LLVKDONJSA-N 1 0 225.332 2.417 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001258729946 991670462 /nfs/dbraw/zinc/67/04/62/991670462.db2.gz ZHLBLOCCAZUZPC-MXWKQRLJSA-N 1 0 231.286 2.307 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001258731619 991670711 /nfs/dbraw/zinc/67/07/11/991670711.db2.gz AXSVNZIPCVDQFL-NEPJUHHUSA-N 1 0 226.339 2.069 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001258731620 991672011 /nfs/dbraw/zinc/67/20/11/991672011.db2.gz AXSVNZIPCVDQFL-RYUDHWBXSA-N 1 0 226.339 2.069 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)CC(C)(C)C=C ZINC001318525761 991673071 /nfs/dbraw/zinc/67/30/71/991673071.db2.gz BLPNSDXQDHVNMB-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](CC)CCC(F)(F)F ZINC001560989629 991680434 /nfs/dbraw/zinc/68/04/34/991680434.db2.gz AFOZBUBARPENEQ-UWVGGRQHSA-N 1 0 237.265 2.081 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001258732780 991676550 /nfs/dbraw/zinc/67/65/50/991676550.db2.gz PXZWPMFTTREHLW-RWMBFGLXSA-N 1 0 208.349 2.120 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CC)CCC(F)(F)F ZINC001560989630 991680242 /nfs/dbraw/zinc/68/02/42/991680242.db2.gz AFOZBUBARPENEQ-VHSXEESVSA-N 1 0 237.265 2.081 20 30 BEEDRO C=C1CC(C)(C(=O)NC[C@@H](CC)[NH2+]CCC)C1 ZINC001318571361 991681008 /nfs/dbraw/zinc/68/10/08/991681008.db2.gz YKIKVYIVLQEHKK-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001258734223 991681140 /nfs/dbraw/zinc/68/11/40/991681140.db2.gz VHGURTCCFHGZHB-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC001258733648 991681546 /nfs/dbraw/zinc/68/15/46/991681546.db2.gz KRPPXOJZKIAYDK-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCc2c(ncn2C)C1 ZINC001258733176 991681664 /nfs/dbraw/zinc/68/16/64/991681664.db2.gz VSGSMNOFTFKNLO-LLVKDONJSA-N 1 0 219.332 2.133 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001258735092 991683569 /nfs/dbraw/zinc/68/35/69/991683569.db2.gz OLMMVYIUEYIDGZ-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001318610389 991685248 /nfs/dbraw/zinc/68/52/48/991685248.db2.gz ASNOGIVXRKUJNV-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)C1CCN(C(C)=O)CC1 ZINC001258735420 991685410 /nfs/dbraw/zinc/68/54/10/991685410.db2.gz UHGDPFBLNCOBBK-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC001258736100 991690002 /nfs/dbraw/zinc/69/00/02/991690002.db2.gz KSNXUQGTVSOHOY-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cn1 ZINC001318680012 991698443 /nfs/dbraw/zinc/69/84/43/991698443.db2.gz CMXJWFQQFIPSLW-QWHCGFSZSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC1(O)C[NH+](C[C@@H]2CCCC[C@H]2C)C1 ZINC001561048926 991707459 /nfs/dbraw/zinc/70/74/59/991707459.db2.gz ICCRFPMLHFNBOS-OLZOCXBDSA-N 1 0 223.360 2.436 20 30 BEEDRO CCC[NH+]1CCC(N2CCC[C@@H](CC#N)C2)CC1 ZINC001258775263 991737024 /nfs/dbraw/zinc/73/70/24/991737024.db2.gz HTQCAASXDUKGQD-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO CCC[NH+]1CCC(N2CCC(C#N)CC2)CC1 ZINC001258771521 991740150 /nfs/dbraw/zinc/74/01/50/991740150.db2.gz HQTSAYQEMVJNAJ-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CCC[NH+]1CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001258776654 991744593 /nfs/dbraw/zinc/74/45/93/991744593.db2.gz FFYMMTDMOFWQNZ-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)nc1 ZINC001319014371 991763981 /nfs/dbraw/zinc/76/39/81/991763981.db2.gz QUNIGTMMRDOMEE-UONOGXRCSA-N 1 0 244.342 2.238 20 30 BEEDRO CC[C@@H](C)C[C@H](CC)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258786218 991764608 /nfs/dbraw/zinc/76/46/08/991764608.db2.gz ZNWMDHXUQCUKJJ-RHYQMDGZSA-N 1 0 242.363 2.027 20 30 BEEDRO C#CCN1CC[NH+]([C@H](CC)C[C@@H](C)CC)CC1 ZINC001258796451 991786872 /nfs/dbraw/zinc/78/68/72/991786872.db2.gz CALDWDIWMCKSOT-LSDHHAIUSA-N 1 0 236.403 2.452 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C1CCC1 ZINC001319149250 991799111 /nfs/dbraw/zinc/79/91/11/991799111.db2.gz HOPZJDFEQUFWLV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC001566165461 991826608 /nfs/dbraw/zinc/82/66/08/991826608.db2.gz BDSIMYFAYDUNEU-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC001258824967 991846038 /nfs/dbraw/zinc/84/60/38/991846038.db2.gz YHFFHKWRYARSCY-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCN1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC001258824966 991847040 /nfs/dbraw/zinc/84/70/40/991847040.db2.gz YHFFHKWRYARSCY-KGLIPLIRSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[N@@H+](C)CC ZINC001566495296 991858677 /nfs/dbraw/zinc/85/86/77/991858677.db2.gz CZMOYMTZBZCVHF-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)c1ccc(F)cc1)CC1CC1 ZINC001319446876 991869390 /nfs/dbraw/zinc/86/93/90/991869390.db2.gz YLFVKFJYMOFNSH-HNNXBMFYSA-N 1 0 247.313 2.204 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)/C(C)=C\C ZINC001319439859 991869796 /nfs/dbraw/zinc/86/97/96/991869796.db2.gz PDWGEONMFDQHBG-FFXRNRBCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001319526185 991885018 /nfs/dbraw/zinc/88/50/18/991885018.db2.gz VLMLUTLWPDUORB-TZMCWYRMSA-N 1 0 240.391 2.434 20 30 BEEDRO C=C/C(C)=C/CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=C)C)C1 ZINC001566848627 991886755 /nfs/dbraw/zinc/88/67/55/991886755.db2.gz TYFMUNLKRDJGQC-GJRRHXBRSA-N 1 0 248.370 2.322 20 30 BEEDRO CC[NH+](CC)CCC[C@@H](C)NC(C)(C)C#N ZINC001258898362 991892370 /nfs/dbraw/zinc/89/23/70/991892370.db2.gz JCKCQXVMKILSKI-GFCCVEGCSA-N 1 0 225.380 2.389 20 30 BEEDRO CC[NH+](CC)CCC[C@@H](C)NC1(C#N)CC1 ZINC001258898848 991896705 /nfs/dbraw/zinc/89/67/05/991896705.db2.gz VRBCOPFMRIRYLZ-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)c1ccc[nH]1 ZINC001566995129 991898728 /nfs/dbraw/zinc/89/87/28/991898728.db2.gz CGGKHYUUYDOICB-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[NH2+]CC1CCCC1 ZINC001567002917 991904912 /nfs/dbraw/zinc/90/49/12/991904912.db2.gz YZQVTHVGCLBATA-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCC1CC1 ZINC001567006262 991907295 /nfs/dbraw/zinc/90/72/95/991907295.db2.gz TUKLOSSYOWIWPB-JTQLQIEISA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C(C)=C1CCC1 ZINC001567015672 991911402 /nfs/dbraw/zinc/91/14/02/991911402.db2.gz QEFGDPVRRVBIGI-NSHDSACASA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C(CC)CC ZINC001567029975 991914596 /nfs/dbraw/zinc/91/45/96/991914596.db2.gz WGCCFYRMQPQKNX-NEPJUHHUSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001567059685 991930790 /nfs/dbraw/zinc/93/07/90/991930790.db2.gz SCLPLDBHLBUTHR-GHMZBOCLSA-N 1 0 246.782 2.125 20 30 BEEDRO C=C[C@@H](C(=O)NC[C@H](C)[NH2+]CC)c1ccccc1 ZINC001567081009 991939106 /nfs/dbraw/zinc/93/91/06/991939106.db2.gz YYIICOORUYKLHO-GXTWGEPZSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCN(C(=O)CCC)C1 ZINC001567112048 991941216 /nfs/dbraw/zinc/94/12/16/991941216.db2.gz RUPULGJPNSPWKG-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO Fc1ccc(CNN=C2CC[N@@H+]3CCC[C@H]23)cc1 ZINC001319727640 991952807 /nfs/dbraw/zinc/95/28/07/991952807.db2.gz AQERIFUASXFCKL-CQSZACIVSA-N 1 0 247.317 2.139 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC001567160028 991953416 /nfs/dbraw/zinc/95/34/16/991953416.db2.gz RRZNKLRVPVWQAB-QWHCGFSZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C)CCC ZINC001567208343 991960066 /nfs/dbraw/zinc/96/00/66/991960066.db2.gz LYBDKNBNVAMSAV-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C1CC(C)(C)C1 ZINC001567214412 991965225 /nfs/dbraw/zinc/96/52/25/991965225.db2.gz SQSGVDPCDKTXQE-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)CC(C)C ZINC001567270152 991981993 /nfs/dbraw/zinc/98/19/93/991981993.db2.gz PZVFRKRURDIQFJ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)CCC1CCC1 ZINC001567275766 992000546 /nfs/dbraw/zinc/00/05/46/992000546.db2.gz PZIDTVRVVKCMHU-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)[C@H](C)C(C)C ZINC001567307280 992009428 /nfs/dbraw/zinc/00/94/28/992009428.db2.gz UPFIVSRVPMJXCX-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@H](CCC)C(C)C ZINC001567306798 992012660 /nfs/dbraw/zinc/01/26/60/992012660.db2.gz DBPVHCRVLZMPRW-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCNC(=O)C1CCC1 ZINC001567322767 992014903 /nfs/dbraw/zinc/01/49/03/992014903.db2.gz HKXJPVWREUSCHI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)C[C@@H](C)C1CC1 ZINC001567353973 992024389 /nfs/dbraw/zinc/02/43/89/992024389.db2.gz MDPAZRZOWHSAEJ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)C[C@H](C)C1CC1 ZINC001567353974 992025296 /nfs/dbraw/zinc/02/52/96/992025296.db2.gz MDPAZRZOWHSAEJ-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](CCCCn1ccnc1C)CC1CC1 ZINC001319905576 992030095 /nfs/dbraw/zinc/03/00/95/992030095.db2.gz LOVUCUIFHQNLCH-UHFFFAOYSA-N 1 0 245.370 2.317 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)CC1(C)CC1)C(C)C ZINC001319931053 992032781 /nfs/dbraw/zinc/03/27/81/992032781.db2.gz ZRYNOIXHMXEZHQ-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001567411116 992036518 /nfs/dbraw/zinc/03/65/18/992036518.db2.gz AZXBFCAWVFVHFN-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CC(C)C ZINC001319969202 992045824 /nfs/dbraw/zinc/04/58/24/992045824.db2.gz CJJAVQCOILPDSM-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)C(CC)CC ZINC001319977891 992054125 /nfs/dbraw/zinc/05/41/25/992054125.db2.gz JAASFOJRPYQNHV-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@](C)(F)CCCC ZINC001567519781 992059752 /nfs/dbraw/zinc/05/97/52/992059752.db2.gz AWCBHUJWGRPLBR-ZDUSSCGKSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C)C(=O)/C=C(\C)CC ZINC001319994795 992065969 /nfs/dbraw/zinc/06/59/69/992065969.db2.gz MEOLRSQAPYJVTK-OUKQBFOZSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[N@H+](C)CC(=C)C ZINC001320007053 992071381 /nfs/dbraw/zinc/07/13/81/992071381.db2.gz HAEJNBGPWGZFBK-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](CCNC(C)=O)C1 ZINC001567693401 992076412 /nfs/dbraw/zinc/07/64/12/992076412.db2.gz PISHPWGZCJKEAZ-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](CCNC(C)=O)C1 ZINC001567693402 992077811 /nfs/dbraw/zinc/07/78/11/992077811.db2.gz PISHPWGZCJKEAZ-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC001320086691 992099620 /nfs/dbraw/zinc/09/96/20/992099620.db2.gz OXEWIYDCIKBJAR-HNNXBMFYSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001320086920 992101104 /nfs/dbraw/zinc/10/11/04/992101104.db2.gz SBVLUAKKNWFQIR-ZDUSSCGKSA-N 1 0 232.327 2.167 20 30 BEEDRO 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2.285 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)CCCC ZINC001568161782 992136912 /nfs/dbraw/zinc/13/69/12/992136912.db2.gz VBWBXLCOHVGTDS-SNVBAGLBSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001320253134 992145027 /nfs/dbraw/zinc/14/50/27/992145027.db2.gz REAPDXXZVYZMEC-SECBINFHSA-N 1 0 235.331 2.243 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccccc1C ZINC001568257217 992150564 /nfs/dbraw/zinc/15/05/64/992150564.db2.gz XJWIGMPEKRRKEO-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC1CCC1 ZINC001568264716 992152766 /nfs/dbraw/zinc/15/27/66/992152766.db2.gz LYZSXEISNGJPHO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CC ZINC001568303693 992162226 /nfs/dbraw/zinc/16/22/26/992162226.db2.gz UAEBOWMBLUAELM-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CC)[C@H](C)C1 ZINC001568357429 992164174 /nfs/dbraw/zinc/16/41/74/992164174.db2.gz HLTNUQKZHSEASC-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001568348758 992164326 /nfs/dbraw/zinc/16/43/26/992164326.db2.gz JETILYMQDLDCRI-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)/C(C)=C/CC)C(C)C ZINC001568443496 992166809 /nfs/dbraw/zinc/16/68/09/992166809.db2.gz CSTGAEFSBPETRD-YQCJOKCJSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C(CC)CC)C(C)C ZINC001568444112 992167146 /nfs/dbraw/zinc/16/71/46/992167146.db2.gz NUXSPQTVDHKQNS-ZDUSSCGKSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC001320320133 992170084 /nfs/dbraw/zinc/17/00/84/992170084.db2.gz FIIQQCITQIISJV-AWEZNQCLSA-N 1 0 232.327 2.167 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](CC)CCC ZINC001568500194 992178568 /nfs/dbraw/zinc/17/85/68/992178568.db2.gz FYWXUKNZSUUWOK-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC ZINC001568519572 992182761 /nfs/dbraw/zinc/18/27/61/992182761.db2.gz LVMCWXRRBFLXBH-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H]1C[C@@H](Nc2cccc(CC#N)n2)CC[N@@H+]1C ZINC001320363341 992185072 /nfs/dbraw/zinc/18/50/72/992185072.db2.gz CTGWRKSTWOAHLJ-AAEUAGOBSA-N 1 0 244.342 2.042 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)CC ZINC001568605968 992193161 /nfs/dbraw/zinc/19/31/61/992193161.db2.gz QLABDHLPTDBSPL-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)F ZINC001568598208 992194696 /nfs/dbraw/zinc/19/46/96/992194696.db2.gz JSWRZAVZFVSSPC-NSHDSACASA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)/C=C(/C)CC ZINC001568628486 992200567 /nfs/dbraw/zinc/20/05/67/992200567.db2.gz BMZQENRQJYCSBT-HHQWOOOKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001568674607 992201650 /nfs/dbraw/zinc/20/16/50/992201650.db2.gz RDRQVXNNEUIKTH-GXTWGEPZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)CC[NH2+]CC ZINC001568664149 992203939 /nfs/dbraw/zinc/20/39/39/992203939.db2.gz 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OFBIEOZAPCCXMN-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)CC[NH2+]CC ZINC001320542235 992237735 /nfs/dbraw/zinc/23/77/35/992237735.db2.gz DTRMVKYNJPYVMY-YPMHNXCESA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)CCCC ZINC001568990692 992245241 /nfs/dbraw/zinc/24/52/41/992245241.db2.gz USAVIEVQBBIPMU-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001569002701 992260224 /nfs/dbraw/zinc/26/02/24/992260224.db2.gz JSEZLGGOIINQKS-VXGBXAGGSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1=CCCC1 ZINC001569052269 992289862 /nfs/dbraw/zinc/28/98/62/992289862.db2.gz MEAOROKNXPGGHM-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CCC2(CCCO2)CC1 ZINC001320650457 992291387 /nfs/dbraw/zinc/29/13/87/992291387.db2.gz LWQWLANNTTZUDB-HSBZDZAISA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001569073216 992293353 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992370661 /nfs/dbraw/zinc/37/06/61/992370661.db2.gz GQACTSGWLFLVQI-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)CCC=C ZINC001569534168 992403293 /nfs/dbraw/zinc/40/32/93/992403293.db2.gz DSNDHLCFWKSDIG-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc[nH]1 ZINC001261640946 992437472 /nfs/dbraw/zinc/43/74/72/992437472.db2.gz RITIAUFRFNPOSS-QWRGUYRKSA-N 1 0 220.320 2.029 20 30 BEEDRO C=CC(C)(C)CC(=O)NC/C=C/C[NH2+]C(C)C ZINC001321078296 992449351 /nfs/dbraw/zinc/44/93/51/992449351.db2.gz SJNWTQWTKDWDQK-BQYQJAHWSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC001321169721 992474164 /nfs/dbraw/zinc/47/41/64/992474164.db2.gz CQYQOYIFINQUJO-OAHLLOKOSA-N 1 0 246.354 2.291 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C=C(C)C ZINC001570586941 992485073 /nfs/dbraw/zinc/48/50/73/992485073.db2.gz FKKORGUOOMWLON-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C=C(C)C ZINC001570586942 992485537 /nfs/dbraw/zinc/48/55/37/992485537.db2.gz FKKORGUOOMWLON-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C=C(C)C ZINC001570586940 992486425 /nfs/dbraw/zinc/48/64/25/992486425.db2.gz FKKORGUOOMWLON-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C/C(C)=C\CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CC ZINC001570626753 992492921 /nfs/dbraw/zinc/49/29/21/992492921.db2.gz HAGSIPRDPKYNON-ISESHHHUSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)C1(CC=C)CCC1 ZINC001321232911 992496983 /nfs/dbraw/zinc/49/69/83/992496983.db2.gz NGSKMPYNIQIWHT-WAYWQWQTSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCCC ZINC001570697664 992497478 /nfs/dbraw/zinc/49/74/78/992497478.db2.gz HDPODZXDUBHZAZ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC(=O)NC1(C[NH2+]CC)CCCCC1 ZINC001570793486 992519968 /nfs/dbraw/zinc/51/99/68/992519968.db2.gz RBTPTPRFFZVLLW-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC(C)(C)C)C1 ZINC001571087023 992531828 /nfs/dbraw/zinc/53/18/28/992531828.db2.gz KJCWSABVULALCD-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(F)F ZINC001321441619 992536778 /nfs/dbraw/zinc/53/67/78/992536778.db2.gz MTXQNBKXRIBAOL-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(C)=O ZINC001571353508 992539235 /nfs/dbraw/zinc/53/92/35/992539235.db2.gz ARNQTNBIRAQXGD-RISCZKNCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C(C)=O ZINC001571353509 992541312 /nfs/dbraw/zinc/54/13/12/992541312.db2.gz ARNQTNBIRAQXGD-SMDDNHRTSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC ZINC001571373926 992541738 /nfs/dbraw/zinc/54/17/38/992541738.db2.gz RFEPPLSDZSFYQO-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CCC1(C)CC1 ZINC001571412069 992552830 /nfs/dbraw/zinc/55/28/30/992552830.db2.gz RNTUQVJHDLYZDY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)CC(C)C)[C@@H]1C ZINC001571513250 992565337 /nfs/dbraw/zinc/56/53/37/992565337.db2.gz PTGWPFPDPNABSF-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]CC(=C)C)C[C@@H]1C ZINC001571473940 992566395 /nfs/dbraw/zinc/56/63/95/992566395.db2.gz YIAOGRPDGFHAES-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]([NH2+]CCC)C[C@@H]1C ZINC001571485481 992567348 /nfs/dbraw/zinc/56/73/48/992567348.db2.gz RPJOSMMBKPUQMN-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC)C1 ZINC001571531814 992569153 /nfs/dbraw/zinc/56/91/53/992569153.db2.gz HXYAKIBZEUTQMU-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]C1CC(N(C)C(=O)CCC)C1 ZINC001571653416 992580779 /nfs/dbraw/zinc/58/07/79/992580779.db2.gz QVWSHKFNGHQTTC-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1(OC)CCC1 ZINC001262010650 992597121 /nfs/dbraw/zinc/59/71/21/992597121.db2.gz LDETXHMUIRPYHP-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc(Cl)c1N ZINC001262031039 992618574 /nfs/dbraw/zinc/61/85/74/992618574.db2.gz FIZOZBVQTMPPQS-JTQLQIEISA-N 1 0 240.734 2.213 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC001262112778 992685471 /nfs/dbraw/zinc/68/54/71/992685471.db2.gz SJMRFOZXEXCPIR-SWLSCSKDSA-N 1 0 249.329 2.121 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC001262112779 992688285 /nfs/dbraw/zinc/68/82/85/992688285.db2.gz SJMRFOZXEXCPIR-WFASDCNBSA-N 1 0 249.329 2.121 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CC2(C1)CCCC2 ZINC001262203523 992799787 /nfs/dbraw/zinc/79/97/87/992799787.db2.gz WEPANFDMPAKTCJ-NSHDSACASA-N 1 0 209.333 2.500 20 30 BEEDRO C#CC[N@H+](CCCc1cccnc1)C1CC1 ZINC001262260656 992822954 /nfs/dbraw/zinc/82/29/54/992822954.db2.gz TZKOOGMDWJXMLU-UHFFFAOYSA-N 1 0 214.312 2.112 20 30 BEEDRO N#CC1(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC001262335463 992842789 /nfs/dbraw/zinc/84/27/89/992842789.db2.gz CECVEXIXMDPISB-UONOGXRCSA-N 1 0 248.370 2.429 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CCc1ccc(F)cc1 ZINC001262372489 992867168 /nfs/dbraw/zinc/86/71/68/992867168.db2.gz SPKKPUIQSHWZSP-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO C#C[C@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1ccc(F)cc1 ZINC001574503601 992869802 /nfs/dbraw/zinc/86/98/02/992869802.db2.gz BOYIPCHRMLCBGF-CQDKDKBSSA-N 1 0 246.329 2.088 20 30 BEEDRO C#Cc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC001574757382 992899085 /nfs/dbraw/zinc/89/90/85/992899085.db2.gz NSYRGUPPNBWUBT-UHFFFAOYSA-N 1 0 214.312 2.079 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC001574757484 992899306 /nfs/dbraw/zinc/89/93/06/992899306.db2.gz QWAJMTVVQMHOES-LBPRGKRZSA-N 1 0 248.713 2.012 20 30 BEEDRO C[C@H](C[NH2+]C[C@H](C#N)CCC#N)c1ccccn1 ZINC001262558598 992913001 /nfs/dbraw/zinc/91/30/01/992913001.db2.gz KFMBQBPYQNPGNF-OLZOCXBDSA-N 1 0 242.326 2.218 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC001262566507 992921567 /nfs/dbraw/zinc/92/15/67/992921567.db2.gz RTAHNVWHIMSGAU-AAEUAGOBSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C(C)CCC(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001574835396 992924105 /nfs/dbraw/zinc/92/41/05/992924105.db2.gz NWBKJGUJUQVHJT-GXTWGEPZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(CNC(=O)C[NH2+]CC(C)C)c1ccccc1 ZINC001574848988 992925791 /nfs/dbraw/zinc/92/57/91/992925791.db2.gz HMXMDFCTWLYAQZ-UHFFFAOYSA-N 1 0 246.354 2.062 20 30 BEEDRO C=C(C)CCC(=O)NCC1([NH3+])CCCCC1 ZINC001574834771 992925838 /nfs/dbraw/zinc/92/58/38/992925838.db2.gz FDXGCHGWEFESNC-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC1([NH3+])CCCCC1 ZINC001574872257 992931176 /nfs/dbraw/zinc/93/11/76/992931176.db2.gz JONWCQJKGANVGA-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCC(C)(C)CNC(=O)c1ccccc1C[NH3+] ZINC001574889561 992938523 /nfs/dbraw/zinc/93/85/23/992938523.db2.gz RUPSZIITZZBRCY-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1C=C ZINC001574903838 992940965 /nfs/dbraw/zinc/94/09/65/992940965.db2.gz 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211.330 2.347 20 30 BEEDRO CC1(C)CCCN(CC[C@H]2CCC[NH2+]C2)[C@@H]1C#N ZINC001576433794 993302903 /nfs/dbraw/zinc/30/29/03/993302903.db2.gz KASMAYCLTYKAPZ-ZIAGYGMSSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)cc1C#N ZINC001576611789 993365682 /nfs/dbraw/zinc/36/56/82/993365682.db2.gz NDEQXEXWWCYODT-RNCFNFMXSA-N 1 0 249.745 2.133 20 30 BEEDRO C=C(C)CCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC001263538640 993372338 /nfs/dbraw/zinc/37/23/38/993372338.db2.gz OBANDNPSNCBYDB-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[C@H]1C[NH3+] ZINC001576798701 993423291 /nfs/dbraw/zinc/42/32/91/993423291.db2.gz WEASHLVMFRROEG-VHDGCEQUSA-N 1 0 243.354 2.168 20 30 BEEDRO C=CCC(C)(C)C[NH2+]CC(C)(C)S(C)(=O)=O ZINC000382155381 993443013 /nfs/dbraw/zinc/44/30/13/993443013.db2.gz RCJMJPHPHQNVFU-UHFFFAOYSA-N 1 0 247.404 2.002 20 30 BEEDRO C=C[C@H](COC)NCc1cccc(O)c1Cl ZINC000382162014 993443412 /nfs/dbraw/zinc/44/34/12/993443412.db2.gz SXPOUPQQAXATCN-SNVBAGLBSA-N 1 0 241.718 2.336 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001263728621 993480616 /nfs/dbraw/zinc/48/06/16/993480616.db2.gz XGSLTCBZWRRWLM-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(CC)C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC001263858187 993562075 /nfs/dbraw/zinc/56/20/75/993562075.db2.gz YYPOQDXLAJLXST-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@@H](CC#N)N1CCC([NH+]2CCCC2)CC1 ZINC000384483879 993589239 /nfs/dbraw/zinc/58/92/39/993589239.db2.gz QVYBOOQOTFQZLR-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1CC ZINC001264047268 993654583 /nfs/dbraw/zinc/65/45/83/993654583.db2.gz ZMAYEYLENUGXSG-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC12CCOCC2 ZINC000387282370 993705020 /nfs/dbraw/zinc/70/50/20/993705020.db2.gz NETBFNBUHDBSPT-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001264414993 993720290 /nfs/dbraw/zinc/72/02/90/993720290.db2.gz XHQCGACWIOUQSA-IHRRRGAJSA-N 1 0 248.370 2.013 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000390499284 993790195 /nfs/dbraw/zinc/79/01/95/993790195.db2.gz TYSHIHUJGFQKRT-STQMWFEESA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CCCC(=O)OCC ZINC000390527789 993794743 /nfs/dbraw/zinc/79/47/43/993794743.db2.gz HLCZTNCSWUPDJJ-LBPRGKRZSA-N 1 0 225.332 2.111 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCNC[C@H]1CCC ZINC000390767649 993803823 /nfs/dbraw/zinc/80/38/23/993803823.db2.gz SFXBPMRVFAPBOO-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO CCN(CC[NH+](C)C)Cc1ccc(C)c(C#N)c1 ZINC000700692589 993845456 /nfs/dbraw/zinc/84/54/56/993845456.db2.gz VYECDVXNEDUBIW-UHFFFAOYSA-N 1 0 245.370 2.250 20 30 BEEDRO Cc1ccc(CN(C)[C@H]2CC[N@H+](C)C2)cc1C#N ZINC000700716591 993849202 /nfs/dbraw/zinc/84/92/02/993849202.db2.gz AMQKWBSRTRUVFP-HNNXBMFYSA-N 1 0 243.354 2.003 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001265464127 993861213 /nfs/dbraw/zinc/86/12/13/993861213.db2.gz HLQMKSRBEHYZAO-HAQNSBGRSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001265469081 993862300 /nfs/dbraw/zinc/86/23/00/993862300.db2.gz WGZIZYRHPHKGMM-JOCQHMNTSA-N 1 0 236.359 2.156 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)CC ZINC000392972997 993890650 /nfs/dbraw/zinc/89/06/50/993890650.db2.gz DVXDAQKSIGCHDJ-UHFFFAOYSA-N 1 0 214.353 2.073 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)CC(C)(C)C ZINC001265752388 993925633 /nfs/dbraw/zinc/92/56/33/993925633.db2.gz FOGWKKGYEYXRCB-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000701854893 993926498 /nfs/dbraw/zinc/92/64/98/993926498.db2.gz VKULAATVEBCDQA-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C=C(CC)CC ZINC001265766487 993936794 /nfs/dbraw/zinc/93/67/94/993936794.db2.gz KGANLJFWRIIRLE-LBPRGKRZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001265847862 993958307 /nfs/dbraw/zinc/95/83/07/993958307.db2.gz CVLYZQUTTVONBJ-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C1CCC(C(=O)NCCC[N@@H+](C)CC)CC1 ZINC001265917321 993972340 /nfs/dbraw/zinc/97/23/40/993972340.db2.gz KGYKLCFNDIMIDL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[N@H+](C)CC ZINC001265907875 993974282 /nfs/dbraw/zinc/97/42/82/993974282.db2.gz GPOUUFGHBHKEQK-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C(C)(C)C ZINC000702301708 993983375 /nfs/dbraw/zinc/98/33/75/993983375.db2.gz BHEZLEUKNYFEEP-KBPBESRZSA-N 1 0 249.329 2.497 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C(C)(C)C ZINC000702310047 993987900 /nfs/dbraw/zinc/98/79/00/993987900.db2.gz IQIHJDJHMDCTKU-KBPBESRZSA-N 1 0 249.329 2.497 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001266019083 994012843 /nfs/dbraw/zinc/01/28/43/994012843.db2.gz ZRFLZPVDKKAMHD-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)NCC[C@H](C)[NH2+]CC(C)C ZINC001266131065 994037254 /nfs/dbraw/zinc/03/72/54/994037254.db2.gz TYFXPZZGNRWTII-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc(CNC(C)=O)cc1 ZINC001280339922 994106066 /nfs/dbraw/zinc/10/60/66/994106066.db2.gz CBFVTYIMPWPNAO-LLVKDONJSA-N 1 0 232.327 2.159 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@@H]1C ZINC001281372941 994157824 /nfs/dbraw/zinc/15/78/24/994157824.db2.gz BUZZAGOTBDONJN-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001281748038 994182442 /nfs/dbraw/zinc/18/24/42/994182442.db2.gz KIGQTACCLMKCCI-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)C ZINC001282096842 994197933 /nfs/dbraw/zinc/19/79/33/994197933.db2.gz QLZNTCWKEGFGHX-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001282084758 994201993 /nfs/dbraw/zinc/20/19/93/994201993.db2.gz SHLMEILWZWBVKJ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C\CC ZINC001282095015 994202005 /nfs/dbraw/zinc/20/20/05/994202005.db2.gz FVRQKWUEEHLLCW-FUTHCOOYSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C/C ZINC001282112810 994202787 /nfs/dbraw/zinc/20/27/87/994202787.db2.gz NINNCXCBUHXOJC-PGJRDNSLSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC ZINC001282097935 994202963 /nfs/dbraw/zinc/20/29/63/994202963.db2.gz ULVYIBHXJLLAEF-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CCCC ZINC001282097933 994205963 /nfs/dbraw/zinc/20/59/63/994205963.db2.gz ULVYIBHXJLLAEF-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC1CC1 ZINC001282166903 994209811 /nfs/dbraw/zinc/20/98/11/994209811.db2.gz IMLJHLPSFJMIKS-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCF ZINC001282133174 994211039 /nfs/dbraw/zinc/21/10/39/994211039.db2.gz KVKACOXWXHSXCY-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001282170425 994211717 /nfs/dbraw/zinc/21/17/17/994211717.db2.gz YKPZUFDWTIXCHY-QWRGUYRKSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C1CCCCC1 ZINC001282343780 994213452 /nfs/dbraw/zinc/21/34/52/994213452.db2.gz MRMRUIBHZMBTKL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(CC)CC ZINC001282230533 994216636 /nfs/dbraw/zinc/21/66/36/994216636.db2.gz QMQCCNAPITXECT-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(CC)CC ZINC001282230530 994217820 /nfs/dbraw/zinc/21/78/20/994217820.db2.gz QMQCCNAPITXECT-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCC(C)C ZINC001282354406 994221364 /nfs/dbraw/zinc/22/13/64/994221364.db2.gz HLYLQTUTIMZFHE-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001282449304 994232448 /nfs/dbraw/zinc/23/24/48/994232448.db2.gz JQKCNAOMEMQIKU-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001316620312 994232788 /nfs/dbraw/zinc/23/27/88/994232788.db2.gz ILJWAIQWKCNOFQ-BETUJISGSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[N@H+](C)CC ZINC001282452236 994242626 /nfs/dbraw/zinc/24/26/26/994242626.db2.gz VSIXDCZFLZPWQZ-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001283012930 994262443 /nfs/dbraw/zinc/26/24/43/994262443.db2.gz IFAKJAJVCOWXBO-IHRRRGAJSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)CC ZINC001283570373 994280759 /nfs/dbraw/zinc/28/07/59/994280759.db2.gz DJDQXBUPQVGOQP-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C1CC(C)(C)C1 ZINC001283605488 994283315 /nfs/dbraw/zinc/28/33/15/994283315.db2.gz FFOORGYZWKVAID-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001283680892 994287937 /nfs/dbraw/zinc/28/79/37/994287937.db2.gz QUCWOPVOSYUNRV-LBPRGKRZSA-N 1 0 240.391 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/nfs/dbraw/zinc/20/68/66/398206866.db2.gz DQRRHWABTRIDDJ-QWHCGFSZSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(c2cccnc2)CC1 ZINC000649406311 398207110 /nfs/dbraw/zinc/20/71/10/398207110.db2.gz PBFLTEWGZUUNQF-OAHLLOKOSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(CC)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000163142927 538926391 /nfs/dbraw/zinc/92/63/91/538926391.db2.gz ZZPLVGPKIAGTBQ-AWEZNQCLSA-N 1 0 219.328 2.450 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCOC1(C)C ZINC000414174531 398219559 /nfs/dbraw/zinc/21/95/59/398219559.db2.gz YEOGNMNZLIYGSJ-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336773941 136221440 /nfs/dbraw/zinc/22/14/40/136221440.db2.gz ZCCPEUQFSYHVRJ-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CC(OC(C)C)C1 ZINC000189580077 398224829 /nfs/dbraw/zinc/22/48/29/398224829.db2.gz URNKZLJYMDMRBL-UNXYVOJBSA-N 1 0 210.321 2.224 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000650025648 398221103 /nfs/dbraw/zinc/22/11/03/398221103.db2.gz YVVPWHCGJJVCEO-TUKIKUTGSA-N 1 0 235.371 2.175 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000649422664 398222026 /nfs/dbraw/zinc/22/20/26/398222026.db2.gz XUWBQDMMECQZPD-AVGNSLFASA-N 1 0 209.333 2.045 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381799 192325027 /nfs/dbraw/zinc/32/50/27/192325027.db2.gz KKWJAYREKZNWLQ-CHWSQXEVSA-N 1 0 236.359 2.354 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000187694868 259302691 /nfs/dbraw/zinc/30/26/91/259302691.db2.gz SAPKYUSEDFIOCY-LBPRGKRZSA-N 1 0 247.404 2.098 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C)ccn1 ZINC000650079613 398232421 /nfs/dbraw/zinc/23/24/21/398232421.db2.gz MFQODQRIEPUKRS-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CCO)CC2)o1 ZINC000421403037 192331226 /nfs/dbraw/zinc/33/12/26/192331226.db2.gz WTYTXGGDLINPOW-LBPRGKRZSA-N 1 0 248.326 2.136 20 30 BEEDRO C=CCCC[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421405386 192331285 /nfs/dbraw/zinc/33/12/85/192331285.db2.gz YSLBTJKZJPDUAL-UHFFFAOYSA-N 1 0 227.739 2.438 20 30 BEEDRO CC[C@H](C)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000421366281 192333624 /nfs/dbraw/zinc/33/36/24/192333624.db2.gz AICNASOULYEBOX-NSHDSACASA-N 1 0 242.326 2.342 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430762634 398231223 /nfs/dbraw/zinc/23/12/23/398231223.db2.gz OQJXSLWHNZBYML-LLVKDONJSA-N 1 0 230.315 2.130 20 30 BEEDRO CC[N@H+](CCC#N)C[C@](C)(OC)C1CC1 ZINC000602437194 349524100 /nfs/dbraw/zinc/52/41/00/349524100.db2.gz FFDJHGIVVURNGK-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCC1CCCC1 ZINC000336773715 398233762 /nfs/dbraw/zinc/23/37/62/398233762.db2.gz ZAYOHLWYVIASLG-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000160924644 136226504 /nfs/dbraw/zinc/22/65/04/136226504.db2.gz WNXNFSGHPMVMMO-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CCC(C#N)(CC)C(=O)Nc1cccc(C[NH3+])c1 ZINC000602421194 349528143 /nfs/dbraw/zinc/52/81/43/349528143.db2.gz KHJKZWVEZVAXGD-UHFFFAOYSA-N 1 0 245.326 2.414 20 30 BEEDRO C=CCN(Cc1ccc(OC)cc1)C[C@@H](C)[NH3+] ZINC000442659977 398243175 /nfs/dbraw/zinc/24/31/75/398243175.db2.gz CIODJNVKKNGDRM-GFCCVEGCSA-N 1 0 234.343 2.030 20 30 BEEDRO C#CCSCCNc1cc(C)cc[nH+]1 ZINC000230148081 136228057 /nfs/dbraw/zinc/22/80/57/136228057.db2.gz WEDJZKYPBIARCR-UHFFFAOYSA-N 1 0 206.314 2.168 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000393620563 323004317 /nfs/dbraw/zinc/00/43/17/323004317.db2.gz FIHPIDCJBRVFEM-NEPJUHHUSA-N 1 0 202.301 2.452 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000320454196 398247915 /nfs/dbraw/zinc/24/79/15/398247915.db2.gz KFRBWZOUZQNTHO-MRVPVSSYSA-N 1 0 246.763 2.213 20 30 BEEDRO N#CCC[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000576578312 365629337 /nfs/dbraw/zinc/62/93/37/365629337.db2.gz KVQNLMMTXUKBES-UHFFFAOYSA-N 1 0 243.232 2.146 20 30 BEEDRO Cc1ccc(CC[NH2+]CCC#N)c(C)c1 ZINC000258919579 349534996 /nfs/dbraw/zinc/53/49/96/349534996.db2.gz NKJHJFXTSKLFEC-UHFFFAOYSA-N 1 0 202.301 2.349 20 30 BEEDRO COC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602431493 349535634 /nfs/dbraw/zinc/53/56/34/349535634.db2.gz RTSPKPRMCDNTFC-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000283942270 136228670 /nfs/dbraw/zinc/22/86/70/136228670.db2.gz BHEYMCVNFAKHOO-OAHLLOKOSA-N 1 0 230.355 2.031 20 30 BEEDRO C[C@@H](CCNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000285181837 136228728 /nfs/dbraw/zinc/22/87/28/136228728.db2.gz UTHGSXBWFLRQJB-RYUDHWBXSA-N 1 0 231.343 2.118 20 30 BEEDRO CC(C)(C[NH2+]CCC#N)c1ccc2c(c1)OCO2 ZINC000258992398 349536278 /nfs/dbraw/zinc/53/62/78/349536278.db2.gz XPRGYPKWCWSVMA-UHFFFAOYSA-N 1 0 246.310 2.196 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000287394560 538945119 /nfs/dbraw/zinc/94/51/19/538945119.db2.gz IVNBAEAWNNGZRD-TUAOUCFPSA-N 1 0 235.331 2.042 20 30 BEEDRO C=CCOCC[N@H+]1CCN(C)c2ccccc2C1 ZINC000293195993 136229532 /nfs/dbraw/zinc/22/95/32/136229532.db2.gz UBWBACJHCISAOY-UHFFFAOYSA-N 1 0 246.354 2.141 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000168691251 538945499 /nfs/dbraw/zinc/94/54/99/538945499.db2.gz KEFMCEWNGDRSCG-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO COc1ccccc1OC[C@@H](C)C[NH2+]CCC#N ZINC000576696619 365659247 /nfs/dbraw/zinc/65/92/47/365659247.db2.gz MBYJYDHOUXDSPY-LBPRGKRZSA-N 1 0 248.326 2.213 20 30 BEEDRO C=CCCCC[N@H+]1CCSC[C@H]1CCO ZINC000576700170 365661218 /nfs/dbraw/zinc/66/12/18/365661218.db2.gz XPFWGXUPWXJMIR-GFCCVEGCSA-N 1 0 229.389 2.143 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC000629979208 361825289 /nfs/dbraw/zinc/82/52/89/361825289.db2.gz TZQHQENVHAJGKH-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cncn1C)C1CC1 ZINC000289861959 538946187 /nfs/dbraw/zinc/94/61/87/538946187.db2.gz QZHLWYHKZSMHSS-ZDUSSCGKSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cncn1C ZINC000289986862 538946351 /nfs/dbraw/zinc/94/63/51/538946351.db2.gz YFJKUSGEXVVVQA-NSHDSACASA-N 1 0 207.321 2.255 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCSC[C@H]1C ZINC000602467654 349540110 /nfs/dbraw/zinc/54/01/10/349540110.db2.gz HTXJRFHGQCXCLH-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO CC(C)[N@@H+](CCC#N)CCC[C@@H]1CCO1 ZINC000602446428 349546423 /nfs/dbraw/zinc/54/64/23/349546423.db2.gz CDANWAIOINYCBD-GFCCVEGCSA-N 1 0 210.321 2.180 20 30 BEEDRO CCC[C@@H](C[N@H+](CC)C[C@@H](C)C#N)OC ZINC000602447001 349547770 /nfs/dbraw/zinc/54/77/70/349547770.db2.gz KBWQMTSITDCFFQ-RYUDHWBXSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@](C)(CC)OC ZINC000602447740 349548582 /nfs/dbraw/zinc/54/85/82/349548582.db2.gz OZVYGAODKNPINZ-RYUDHWBXSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000602449091 349550860 /nfs/dbraw/zinc/55/08/60/349550860.db2.gz CBDAAOSZMBFOPR-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H](CCC#N)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000602450545 349552147 /nfs/dbraw/zinc/55/21/47/349552147.db2.gz AJJDSFGURLSFQR-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H](O)C1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602458953 349554767 /nfs/dbraw/zinc/55/47/67/349554767.db2.gz RNCUPQTUOMNUCQ-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)[N@H+](C[C@@H](C)O)C[C@H](C)CCC#N ZINC000602460948 349555356 /nfs/dbraw/zinc/55/53/56/349555356.db2.gz ICKYMISYVXMFRQ-VXGBXAGGSA-N 1 0 212.337 2.017 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](CCO)CC(C)(C)C ZINC000602461301 349555661 /nfs/dbraw/zinc/55/56/61/349555661.db2.gz JJHDPHGZSVTUIW-LBPRGKRZSA-N 1 0 226.364 2.267 20 30 BEEDRO Cc1ccc(C#N)c(NCC[NH+]2CCCCC2)n1 ZINC000044419640 178364852 /nfs/dbraw/zinc/36/48/52/178364852.db2.gz AVFSZLFBQFTYGH-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000050164300 178365973 /nfs/dbraw/zinc/36/59/73/178365973.db2.gz ORJAYUIWUQCWLT-DGCLKSJQSA-N 1 0 244.342 2.062 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCOC[C@H]1C ZINC000602476216 349563527 /nfs/dbraw/zinc/56/35/27/349563527.db2.gz WPOMZOVWHYTIPG-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CCN1C[C@H](C)[N@H+](C[C@@H](C)CCC#N)C[C@H]1C ZINC000602477291 349564091 /nfs/dbraw/zinc/56/40/91/349564091.db2.gz JIMOHFRLGYBBBB-MJBXVCDLSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CCCCCC[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626176471 346821370 /nfs/dbraw/zinc/82/13/70/346821370.db2.gz OPXIISMZOAPYQN-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000602485372 349567206 /nfs/dbraw/zinc/56/72/06/349567206.db2.gz ODQVFTOXZKPJJB-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@](C)(C[N@H+](C[C@H](C)C#N)C1CC1)C1CC1 ZINC000602486067 349568233 /nfs/dbraw/zinc/56/82/33/349568233.db2.gz RZQHUQCNRAENJS-RISCZKNCSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccccc1CO ZINC000602520472 349574943 /nfs/dbraw/zinc/57/49/43/349574943.db2.gz GJMDDQLJXNNFGL-GFCCVEGCSA-N 1 0 232.327 2.208 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCCO1 ZINC000602523492 349576806 /nfs/dbraw/zinc/57/68/06/349576806.db2.gz YVMDPJFGPPQEJP-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1C1CC1 ZINC000390752574 488178018 /nfs/dbraw/zinc/17/80/18/488178018.db2.gz DPLYALFGAAEOPN-CYBMUJFWSA-N 1 0 217.312 2.201 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]C[C@@H](C)CCC#N ZINC000602546900 349590441 /nfs/dbraw/zinc/59/04/41/349590441.db2.gz HAXJONASZKXUCS-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+]C[C@H](C)CCC#N ZINC000602529397 349579524 /nfs/dbraw/zinc/57/95/24/349579524.db2.gz VUBAJTJQRHGBKM-SNVBAGLBSA-N 1 0 234.347 2.066 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccc(O)cc1 ZINC000602531589 349580289 /nfs/dbraw/zinc/58/02/89/349580289.db2.gz XTOYXTNEUKVDOZ-LBPRGKRZSA-N 1 0 232.327 2.464 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccccn1 ZINC000602503586 349581082 /nfs/dbraw/zinc/58/10/82/349581082.db2.gz MBKHFWGWZOOUEL-GFCCVEGCSA-N 1 0 217.316 2.154 20 30 BEEDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602508353 349583332 /nfs/dbraw/zinc/58/33/32/349583332.db2.gz BINXMKCCGSBOSY-QWHCGFSZSA-N 1 0 248.374 2.357 20 30 BEEDRO Cc1cc(C)n(CCC[NH2+]C[C@H](C)CCC#N)n1 ZINC000602507406 349583387 /nfs/dbraw/zinc/58/33/87/349583387.db2.gz IPYNOPZPRDSSPG-GFCCVEGCSA-N 1 0 248.374 2.420 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCOCC(F)(F)F ZINC000602508124 349583648 /nfs/dbraw/zinc/58/36/48/349583648.db2.gz SKTZOAZXNXHAPE-VIFPVBQESA-N 1 0 238.253 2.095 20 30 BEEDRO N#CC1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000602509045 349584237 /nfs/dbraw/zinc/58/42/37/349584237.db2.gz APULHUUSPKZPDK-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO CC(C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602508733 349584442 /nfs/dbraw/zinc/58/44/42/349584442.db2.gz WYXGDHMJCOAYJZ-LLVKDONJSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)C[C@@H](C[NH2+]C[C@H](C)CCC#N)N(C)C ZINC000602511274 349585196 /nfs/dbraw/zinc/58/51/96/349585196.db2.gz NVYSIBLAEGWNCD-KGLIPLIRSA-N 1 0 239.407 2.492 20 30 BEEDRO Cc1csc(C[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602510832 349585405 /nfs/dbraw/zinc/58/54/05/349585405.db2.gz PDDAIXKOHIKYPF-VIFPVBQESA-N 1 0 223.345 2.481 20 30 BEEDRO Cc1nc(C[NH2+]C[C@H](C)CCC#N)cs1 ZINC000602513350 349585868 /nfs/dbraw/zinc/58/58/68/349585868.db2.gz WJZFUYZBTUTIFH-SECBINFHSA-N 1 0 223.345 2.481 20 30 BEEDRO CO[C@@H](C[NH2+]CCCCC#N)CC(C)C ZINC000602542546 349586821 /nfs/dbraw/zinc/58/68/21/349586821.db2.gz ZRLYDJVXGORDQD-GFCCVEGCSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514534 349586983 /nfs/dbraw/zinc/58/69/83/349586983.db2.gz KQLLFFMHBKZXFJ-WLYUNCDWSA-N 1 0 249.402 2.390 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCN3CCCC[C@H]23)CC1 ZINC000602514574 349587044 /nfs/dbraw/zinc/58/70/44/349587044.db2.gz NXLLOALMNJPUBU-NEXFUWMNSA-N 1 0 247.386 2.285 20 30 BEEDRO CC[C@@H](C)[C@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602545047 349588862 /nfs/dbraw/zinc/58/88/62/349588862.db2.gz LWHRZOOLRKREPK-BLYZHGLHSA-N 1 0 238.375 2.455 20 30 BEEDRO CCOCCCC[NH2+]C[C@H](C)CCC#N ZINC000602519491 349574296 /nfs/dbraw/zinc/57/42/96/349574296.db2.gz GHMVBZKUFMKQOR-GFCCVEGCSA-N 1 0 212.337 2.333 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000602519331 349574319 /nfs/dbraw/zinc/57/43/19/349574319.db2.gz YGDJVKVOWUGSEJ-NSHDSACASA-N 1 0 246.310 2.445 20 30 BEEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)CC2)[C@H]2CCO[C@H]21 ZINC000602557868 349598402 /nfs/dbraw/zinc/59/84/02/349598402.db2.gz JPFBOKIQESISKF-YTPFDHIKSA-N 1 0 248.370 2.472 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000602557910 349598436 /nfs/dbraw/zinc/59/84/36/349598436.db2.gz MISCHLOLIVWARS-GMKTYKIGSA-N 1 0 222.332 2.083 20 30 BEEDRO N#CC1CCC([NH2+]CCc2cscn2)CC1 ZINC000602557709 349598509 /nfs/dbraw/zinc/59/85/09/349598509.db2.gz ZSZVTIPCTSUAJR-UHFFFAOYSA-N 1 0 235.356 2.358 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000602558721 349598634 /nfs/dbraw/zinc/59/86/34/349598634.db2.gz NTNWDPZNWLKIKE-AGIUHOORSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000602558980 349599040 /nfs/dbraw/zinc/59/90/40/349599040.db2.gz ACWWKHPIPNZDNN-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000602559556 349600001 /nfs/dbraw/zinc/60/00/01/349600001.db2.gz PMUDGRMOIZAGMK-FKZOYECMSA-N 1 0 236.359 2.209 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)n1 ZINC000378835599 346843469 /nfs/dbraw/zinc/84/34/69/346843469.db2.gz VDLPGSICHAJPIK-ONGXEEELSA-N 1 0 233.340 2.150 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602549648 349591015 /nfs/dbraw/zinc/59/10/15/349591015.db2.gz JFLMZRUBCVIYAO-GHMZBOCLSA-N 1 0 234.347 2.319 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602549649 349591160 /nfs/dbraw/zinc/59/11/60/349591160.db2.gz JFLMZRUBCVIYAO-MNOVXSKESA-N 1 0 234.347 2.319 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602550664 349591808 /nfs/dbraw/zinc/59/18/08/349591808.db2.gz MEQCOXWCMGVVFO-PNESKVBLSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000602549927 349591982 /nfs/dbraw/zinc/59/19/82/349591982.db2.gz FTBZSRZBCPOLLZ-JTQLQIEISA-N 1 0 236.315 2.246 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602551001 349593008 /nfs/dbraw/zinc/59/30/08/349593008.db2.gz AUCWQDZHPMWFFH-UXUKBGGZSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@@H](COC)[NH2+]C1CCC(C#N)CC1 ZINC000602552063 349593975 /nfs/dbraw/zinc/59/39/75/349593975.db2.gz RYOUJTGDIIDEOC-CXQJBGSLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](O)CCC[NH2+]C[C@@H](C)CCC#N ZINC000602552020 349594009 /nfs/dbraw/zinc/59/40/09/349594009.db2.gz RLRRQBYDOUODQW-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]C1CCC(C#N)CC1 ZINC000602553430 349595231 /nfs/dbraw/zinc/59/52/31/349595231.db2.gz BZPTYQFVCVYQOP-WXRRBKDZSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]C1CCC(C#N)CC1 ZINC000602553427 349595271 /nfs/dbraw/zinc/59/52/71/349595271.db2.gz BZPTYQFVCVYQOP-BPCQOVAHSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)C1(C[NH2+]C2CCN(CC#N)CC2)CC1 ZINC000602538514 349604509 /nfs/dbraw/zinc/60/45/09/349604509.db2.gz MYKMXGBNSVDQMO-UHFFFAOYSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602538719 349604599 /nfs/dbraw/zinc/60/45/99/349604599.db2.gz HJAAVXXTKRGIRR-CYBMUJFWSA-N 1 0 235.375 2.166 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000448978989 398271438 /nfs/dbraw/zinc/27/14/38/398271438.db2.gz ZMISVJZWIZWVIX-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCC#N ZINC000602540643 349605602 /nfs/dbraw/zinc/60/56/02/349605602.db2.gz MLJDZMZUKMJXSL-CYBMUJFWSA-N 1 0 249.358 2.369 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600132959 342687294 /nfs/dbraw/zinc/68/72/94/342687294.db2.gz PLOMHAKEVCJKDJ-NSHDSACASA-N 1 0 248.326 2.313 20 30 BEEDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335312420 344001164 /nfs/dbraw/zinc/00/11/64/344001164.db2.gz WQSBXNXYSRRQDV-ZDUSSCGKSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000602583565 349611169 /nfs/dbraw/zinc/61/11/69/349611169.db2.gz ZHMSMMXMSRSNHJ-FRRDWIJNSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)C[C@@]1(C)CCCS1 ZINC000600112936 342671324 /nfs/dbraw/zinc/67/13/24/342671324.db2.gz OQFMXOURXXERBV-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)C1CC(F)(F)C1 ZINC000600144527 342689870 /nfs/dbraw/zinc/68/98/70/342689870.db2.gz KZBZLHQNUDLJMX-QMMMGPOBSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@H](C#N)CNC/C=C/c1ccccc1 ZINC000183831502 346858866 /nfs/dbraw/zinc/85/88/66/346858866.db2.gz NLCPBKTYCLRHMM-ZCRIDZFUSA-N 1 0 200.285 2.449 20 30 BEEDRO Cc1nc(C)c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000600162258 342693575 /nfs/dbraw/zinc/69/35/75/342693575.db2.gz QOWKYSDAQQPDPY-RYUDHWBXSA-N 1 0 233.315 2.463 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600175797 342696366 /nfs/dbraw/zinc/69/63/66/342696366.db2.gz ZFTQKBYEHDUNBJ-CQSZACIVSA-N 1 0 240.310 2.298 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC000613255108 361854965 /nfs/dbraw/zinc/85/49/65/361854965.db2.gz LGGQNNADFKBRJD-DOMZBBRYSA-N 1 0 244.338 2.351 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)(C)C ZINC000309577136 259316895 /nfs/dbraw/zinc/31/68/95/259316895.db2.gz PFHYHIOKAYBCLF-XQQFMLRXSA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000602588066 349613507 /nfs/dbraw/zinc/61/35/07/349613507.db2.gz KRCOMTIWPYWZRM-MCIONIFRSA-N 1 0 238.375 2.409 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cocn2)CC1 ZINC000600219850 342713698 /nfs/dbraw/zinc/71/36/98/342713698.db2.gz NFYXHTJSJCHZOG-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO COC1(C)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602591134 349615190 /nfs/dbraw/zinc/61/51/90/349615190.db2.gz LLTMETQJGAXVCF-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC1(C[NH2+]C2CCC(C#N)CC2)CCOCC1 ZINC000602563797 349616206 /nfs/dbraw/zinc/61/62/06/349616206.db2.gz OFMPOPCYXUNOLC-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000320338728 342733520 /nfs/dbraw/zinc/73/35/20/342733520.db2.gz BHSAGEMROZDCPR-GFCCVEGCSA-N 1 0 224.348 2.233 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000231819212 342739838 /nfs/dbraw/zinc/73/98/38/342739838.db2.gz AUTYGXJYHIAWFL-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000602565622 349617504 /nfs/dbraw/zinc/61/75/04/349617504.db2.gz QNINPTMXVHWRSU-GXTWGEPZSA-N 1 0 235.375 2.000 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602565303 349617568 /nfs/dbraw/zinc/61/75/68/349617568.db2.gz AGURGEUYQGKWIQ-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CCCCN(C)C(=O)N[C@@H](C[NH3+])CCCC ZINC000418451680 192043181 /nfs/dbraw/zinc/04/31/81/192043181.db2.gz WDRQFPFTDCOZQL-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO N#CC1CCC([NH2+]CC2(CCO)CCC2)CC1 ZINC000602570866 349621559 /nfs/dbraw/zinc/62/15/59/349621559.db2.gz UUBIUJHEGZQCCQ-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO CC#CC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000607727293 342782439 /nfs/dbraw/zinc/78/24/39/342782439.db2.gz XDOOOFANXWKKOZ-HUUCEWRRSA-N 1 0 240.350 2.078 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](C)CCC#N ZINC000602568182 349619211 /nfs/dbraw/zinc/61/92/11/349619211.db2.gz IZKFNAWRSDMKNK-LBPRGKRZSA-N 1 0 210.321 2.109 20 30 BEEDRO C=CCCCCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000630017518 361900028 /nfs/dbraw/zinc/90/00/28/361900028.db2.gz LCMUGKUMVMBAGT-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCCC[C@H]1O ZINC000602570531 349621068 /nfs/dbraw/zinc/62/10/68/349621068.db2.gz BUGHBBWXWVVSGO-MGPQQGTHSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CCCC[NH2+]Cc1scnc1C1CC1 ZINC000336744185 342824658 /nfs/dbraw/zinc/82/46/58/342824658.db2.gz ZAGBYZJRJPEKLW-UHFFFAOYSA-N 1 0 221.329 2.414 20 30 BEEDRO COCC#CC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000380348378 538989366 /nfs/dbraw/zinc/98/93/66/538989366.db2.gz UOUUSEQYXMOVKV-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cnccc1C#N ZINC000357574998 398291015 /nfs/dbraw/zinc/29/10/15/398291015.db2.gz XUGGYQLEADUYJW-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000381463666 539001184 /nfs/dbraw/zinc/00/11/84/539001184.db2.gz LWJLETORMSPCIN-QMMMGPOBSA-N 1 0 218.256 2.370 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000381463665 539001229 /nfs/dbraw/zinc/00/12/29/539001229.db2.gz LWJLETORMSPCIN-MRVPVSSYSA-N 1 0 218.256 2.370 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000381468426 539001272 /nfs/dbraw/zinc/00/12/72/539001272.db2.gz NGWFOIPJTLJZOM-KWQFWETISA-N 1 0 240.372 2.348 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(C)nc1CC ZINC000381596470 539004864 /nfs/dbraw/zinc/00/48/64/539004864.db2.gz LWGFCXQDJZPONO-GFCCVEGCSA-N 1 0 221.348 2.427 20 30 BEEDRO CO[C@H](C[NH2+]CCCC#N)C1CCCC1 ZINC000602604932 349627292 /nfs/dbraw/zinc/62/72/92/349627292.db2.gz RPAGEBDFZLCARQ-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000383065348 539011203 /nfs/dbraw/zinc/01/12/03/539011203.db2.gz OPMUBWUHRALEOS-UHFFFAOYSA-N 1 0 245.244 2.396 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000304267065 398295408 /nfs/dbraw/zinc/29/54/08/398295408.db2.gz VOXWOPLSGZAVBT-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1c(C)cccc1C ZINC000381405995 539000324 /nfs/dbraw/zinc/00/03/24/539000324.db2.gz SJWZAKWLACBJEU-ZDUSSCGKSA-N 1 0 219.328 2.330 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1c(C)cccc1C ZINC000381405994 539000398 /nfs/dbraw/zinc/00/03/98/539000398.db2.gz SJWZAKWLACBJEU-CYBMUJFWSA-N 1 0 219.328 2.330 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)Cc1cccs1 ZINC000390431160 539021567 /nfs/dbraw/zinc/02/15/67/539021567.db2.gz PPPJLMFCWOMFTH-NEPJUHHUSA-N 1 0 239.384 2.453 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000390589379 539026348 /nfs/dbraw/zinc/02/63/48/539026348.db2.gz YYMSWTOLEIEBHE-LBPRGKRZSA-N 1 0 220.316 2.243 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000390646816 539026606 /nfs/dbraw/zinc/02/66/06/539026606.db2.gz OEEONNYETWIZQQ-CHWSQXEVSA-N 1 0 216.328 2.429 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000602606121 349628155 /nfs/dbraw/zinc/62/81/55/349628155.db2.gz AIBLGMVNJDBKRR-BNOWGMLFSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CC1CCC(C[NH2+]C2CSC2)CC1 ZINC000306169137 398298116 /nfs/dbraw/zinc/29/81/16/398298116.db2.gz AASKBQMQYISGKX-UHFFFAOYSA-N 1 0 210.346 2.021 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000602606731 349628766 /nfs/dbraw/zinc/62/87/66/349628766.db2.gz GIFJNXKTWOEOTL-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC1CCC1 ZINC000389981089 539019427 /nfs/dbraw/zinc/01/94/27/539019427.db2.gz IZJRIRAKBHHCMO-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCOCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000390137623 539019724 /nfs/dbraw/zinc/01/97/24/539019724.db2.gz MXLGYXSAYCRTRP-UHFFFAOYSA-N 1 0 238.356 2.313 20 30 BEEDRO C=CCCCCCN(C)C(=O)NCCCC[NH3+] ZINC000418536010 192049297 /nfs/dbraw/zinc/04/92/97/192049297.db2.gz ZZTPBHCPMDDVIL-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602607276 349630294 /nfs/dbraw/zinc/63/02/94/349630294.db2.gz IJFMDHCQOVKLRL-RVMXOQNASA-N 1 0 234.343 2.083 20 30 BEEDRO CCC[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)OC ZINC000602607865 349630631 /nfs/dbraw/zinc/63/06/31/349630631.db2.gz KIWSGFZAFGQACS-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602607277 349629553 /nfs/dbraw/zinc/62/95/53/349629553.db2.gz IJFMDHCQOVKLRL-VOAKCMCISA-N 1 0 234.343 2.083 20 30 BEEDRO CC[N@H+](C)CCNc1nc(Cl)c(C#N)s1 ZINC000233456790 342863611 /nfs/dbraw/zinc/86/36/11/342863611.db2.gz GOCHJLYNAIPFEZ-UHFFFAOYSA-N 1 0 244.751 2.032 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000342837050 342875982 /nfs/dbraw/zinc/87/59/82/342875982.db2.gz VOTRFNUDUVPJNU-AAEUAGOBSA-N 1 0 244.342 2.156 20 30 BEEDRO N#Cc1cccc(OCCC2CC[NH2+]CC2)c1 ZINC000134494685 342859040 /nfs/dbraw/zinc/85/90/40/342859040.db2.gz FATITJSEVHLZLT-UHFFFAOYSA-N 1 0 230.311 2.327 20 30 BEEDRO CC(C)OCC[NH2+]C1CCC(C#N)CC1 ZINC000602610983 349634454 /nfs/dbraw/zinc/63/44/54/349634454.db2.gz BUOMEXYVONMFLO-UHFFFAOYSA-N 1 0 210.321 2.083 20 30 BEEDRO CN(C)CC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000282194918 398316820 /nfs/dbraw/zinc/31/68/20/398316820.db2.gz KYSLNRNIGPSJAH-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC1CC[NH+](CC(=O)NCC(C)(C)C)CC1 ZINC000625158823 342897338 /nfs/dbraw/zinc/89/73/38/342897338.db2.gz KYEBBNASVCPVHY-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1ccncc1C[NH2+]CCCCC#N ZINC000167254838 136245403 /nfs/dbraw/zinc/24/54/03/136245403.db2.gz WPWRGRHFZVULAL-UHFFFAOYSA-N 1 0 203.289 2.174 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)cc1 ZINC000368043035 398319060 /nfs/dbraw/zinc/31/90/60/398319060.db2.gz WQCALHCUAQPSBI-MRXNPFEDSA-N 1 0 241.334 2.015 20 30 BEEDRO C[NH+](C)C1(CNc2ncccc2C#N)CCCC1 ZINC000097173643 398319137 /nfs/dbraw/zinc/31/91/37/398319137.db2.gz QNXXGDUOMZAPMO-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)c1ccc(F)cc1C#N ZINC000274435557 398312244 /nfs/dbraw/zinc/31/22/44/398312244.db2.gz FRVOJNXURVCMLE-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO COc1ccc(C[N@H+](C)C[C@H](C)CCC#N)cn1 ZINC000602610502 349635020 /nfs/dbraw/zinc/63/50/20/349635020.db2.gz AESICIUCHJKEFU-GFCCVEGCSA-N 1 0 247.342 2.462 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(CO)CCCCC1 ZINC000602612772 349636398 /nfs/dbraw/zinc/63/63/98/349636398.db2.gz QQNXYQYQECZSCI-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602612219 349635556 /nfs/dbraw/zinc/63/55/56/349635556.db2.gz OMUJOSSZWPRQEX-CHWSQXEVSA-N 1 0 249.358 2.367 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](CC)c1ccccc1 ZINC000104156510 398323806 /nfs/dbraw/zinc/32/38/06/398323806.db2.gz BOAGVMRCMQJJAC-GFCCVEGCSA-N 1 0 233.359 2.495 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000602614424 349637293 /nfs/dbraw/zinc/63/72/93/349637293.db2.gz YOVAWNOUFSKSIY-WCQYABFASA-N 1 0 247.342 2.303 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602615648 349638313 /nfs/dbraw/zinc/63/83/13/349638313.db2.gz RCSMHMKSXGFWCZ-AVGNSLFASA-N 1 0 248.370 2.473 20 30 BEEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000562383000 323018677 /nfs/dbraw/zinc/01/86/77/323018677.db2.gz JRATUFDKBCGZII-LLVKDONJSA-N 1 0 217.316 2.430 20 30 BEEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602616294 349638896 /nfs/dbraw/zinc/63/88/96/349638896.db2.gz UPOLMHITIQJQKH-IJLUTSLNSA-N 1 0 240.347 2.104 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000602618794 349639755 /nfs/dbraw/zinc/63/97/55/349639755.db2.gz FQJOWCLCZYCBCI-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CCO)C(C)(C)C ZINC000602618942 349639974 /nfs/dbraw/zinc/63/99/74/349639974.db2.gz UBSNKAFDKBCCOY-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351619027 136248080 /nfs/dbraw/zinc/24/80/80/136248080.db2.gz IYACWDNMAVEUMW-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000306154041 344009662 /nfs/dbraw/zinc/00/96/62/344009662.db2.gz BHPQMRGTOSIUFB-NAKRPEOUSA-N 1 0 210.346 2.162 20 30 BEEDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000306154044 344009689 /nfs/dbraw/zinc/00/96/89/344009689.db2.gz BHPQMRGTOSIUFB-VLEAKVRGSA-N 1 0 210.346 2.162 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602635403 349650662 /nfs/dbraw/zinc/65/06/62/349650662.db2.gz YAQJITADMYUFGR-YWPUVAFDSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@]1([NH2+]C[C@H](C)CCC#N)CCOC1 ZINC000602631263 349648368 /nfs/dbraw/zinc/64/83/68/349648368.db2.gz PUTLVGNISIUEOY-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CSC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000135493109 398326915 /nfs/dbraw/zinc/32/69/15/398326915.db2.gz GNKJSLZOPRERGQ-MRVPVSSYSA-N 1 0 226.370 2.461 20 30 BEEDRO CC[C@]1([NH2+]C[C@H](C)CCC#N)CCOC1 ZINC000602631260 349648419 /nfs/dbraw/zinc/64/84/19/349648419.db2.gz PUTLVGNISIUEOY-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000602633302 349649851 /nfs/dbraw/zinc/64/98/51/349649851.db2.gz GSUGZSBZKNCBJY-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO N#CCC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602596688 349644456 /nfs/dbraw/zinc/64/44/56/349644456.db2.gz MUXAFCNNQSACSZ-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164532589 398328939 /nfs/dbraw/zinc/32/89/39/398328939.db2.gz SPTVUMBAFDNMKU-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000602652374 349660333 /nfs/dbraw/zinc/66/03/33/349660333.db2.gz CYUAMHOVYSIKLI-JHJVBQTASA-N 1 0 224.348 2.188 20 30 BEEDRO N#CC1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000602638203 349652128 /nfs/dbraw/zinc/65/21/28/349652128.db2.gz NLCCGBALUGUISO-RUXDESIVSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CCCCCO ZINC000602639313 349652969 /nfs/dbraw/zinc/65/29/69/349652969.db2.gz JJHZFSJJABMYSD-GFCCVEGCSA-N 1 0 212.337 2.021 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCOC(F)(F)F ZINC000602639851 349653158 /nfs/dbraw/zinc/65/31/58/349653158.db2.gz BMMQWQAEBZXPJD-QMMMGPOBSA-N 1 0 224.226 2.052 20 30 BEEDRO CSC1(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602639353 349653359 /nfs/dbraw/zinc/65/33/59/349653359.db2.gz JZPSPJOLRJGKKC-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO Cc1c(C[N@@H+](C)C[C@@H](C)CCC#N)cnn1C ZINC000602643096 349655449 /nfs/dbraw/zinc/65/54/49/349655449.db2.gz IAVGIBFRAJOABH-NSHDSACASA-N 1 0 234.347 2.100 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCc3cccnc3CC2)CC1 ZINC000602644179 349656112 /nfs/dbraw/zinc/65/61/12/349656112.db2.gz WLVFDRYEJXDBEC-ZDUSSCGKSA-N 1 0 241.338 2.222 20 30 BEEDRO N#CC1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000602645100 349656718 /nfs/dbraw/zinc/65/67/18/349656718.db2.gz OIOLYVBSWATPEH-UHFFFAOYSA-N 1 0 236.237 2.195 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602647279 349657462 /nfs/dbraw/zinc/65/74/62/349657462.db2.gz ZDVGTKIMUSBOIR-MJBXVCDLSA-N 1 0 236.359 2.497 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCSC1 ZINC000602645740 349657559 /nfs/dbraw/zinc/65/75/59/349657559.db2.gz ZIYSVKRJMKNCBG-GHMZBOCLSA-N 1 0 212.362 2.269 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000602647670 349658551 /nfs/dbraw/zinc/65/85/51/349658551.db2.gz JWWPHIIKNGNDOK-MBNYWOFBSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000602675417 349668473 /nfs/dbraw/zinc/66/84/73/349668473.db2.gz KRSHDMHARVTGTQ-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000602674865 349668482 /nfs/dbraw/zinc/66/84/82/349668482.db2.gz FFBLEOPAJWNADQ-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000602675415 349668514 /nfs/dbraw/zinc/66/85/14/349668514.db2.gz KRSHDMHARVTGTQ-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602675595 349669221 /nfs/dbraw/zinc/66/92/21/349669221.db2.gz UVZZQQWNJJJDRX-STQMWFEESA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602675917 349669233 /nfs/dbraw/zinc/66/92/33/349669233.db2.gz WXLIHADKVBMTET-PNESKVBLSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)[N@@H+](C[C@H](C)CCC#N)[C@H]1CCOC1 ZINC000602675539 349669286 /nfs/dbraw/zinc/66/92/86/349669286.db2.gz KMCNRDWECYIGFY-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](F)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602676596 349670065 /nfs/dbraw/zinc/67/00/65/349670065.db2.gz PPKDDNIYFSRBAI-RYUDHWBXSA-N 1 0 242.338 2.423 20 30 BEEDRO Cc1nocc1C[NH2+]C1CCC(C#N)CC1 ZINC000602677201 349670132 /nfs/dbraw/zinc/67/01/32/349670132.db2.gz VRZDOJSUTFLSIS-UHFFFAOYSA-N 1 0 219.288 2.155 20 30 BEEDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602677484 349670144 /nfs/dbraw/zinc/67/01/44/349670144.db2.gz VBPVCVILLMKADG-BLYZHGLHSA-N 1 0 236.359 2.209 20 30 BEEDRO CO[C@H](C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602677505 349670652 /nfs/dbraw/zinc/67/06/52/349670652.db2.gz VPTXBIOGMGSOLN-KGPNIALWSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CC(=O)OCC ZINC000351730115 136250144 /nfs/dbraw/zinc/25/01/44/136250144.db2.gz KVLQLIBWLGTLTA-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000602657109 349662545 /nfs/dbraw/zinc/66/25/45/349662545.db2.gz WRJOVMDYWMRZBM-KFWWJZLASA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000602628046 349664352 /nfs/dbraw/zinc/66/43/52/349664352.db2.gz GSXFGAGNIXNNFR-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000602628048 349664378 /nfs/dbraw/zinc/66/43/78/349664378.db2.gz GSXFGAGNIXNNFR-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@](C)(C[NH2+][C@H]1CC[C@@H](CC#N)C1)OC ZINC000602678549 349670979 /nfs/dbraw/zinc/67/09/79/349670979.db2.gz FXKUBGBKGJWYCZ-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CCN1C ZINC000602629822 349665216 /nfs/dbraw/zinc/66/52/16/349665216.db2.gz JGWPJMLEHTZLBT-KBPBESRZSA-N 1 0 237.391 2.198 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)c1 ZINC000602678331 349671005 /nfs/dbraw/zinc/67/10/05/349671005.db2.gz VFQNGMKEXVOUGM-GXTWGEPZSA-N 1 0 246.358 2.378 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CC(C)(C)O ZINC000602678029 349671013 /nfs/dbraw/zinc/67/10/13/349671013.db2.gz AAGJGVXJUDUQNN-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000602671074 349665937 /nfs/dbraw/zinc/66/59/37/349665937.db2.gz IJNSMMLQPVTOEP-UONOGXRCSA-N 1 0 249.402 2.342 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)C[C@H](C)OC ZINC000602673812 349667437 /nfs/dbraw/zinc/66/74/37/349667437.db2.gz CRVPJWVPDLVRBN-RYUDHWBXSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602674033 349667541 /nfs/dbraw/zinc/66/75/41/349667541.db2.gz DKZTZZBEKMBYNZ-UHFFFAOYSA-N 1 0 215.300 2.255 20 30 BEEDRO C[C@H](CCC#N)CNc1ccc2c([nH+]1)CCC2 ZINC000602682004 349674329 /nfs/dbraw/zinc/67/43/29/349674329.db2.gz PEOVNVWYCBRWFD-LLVKDONJSA-N 1 0 229.327 2.344 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC2(CC(F)C2)C1 ZINC000602688672 349679184 /nfs/dbraw/zinc/67/91/84/349679184.db2.gz OWEGJPCEVYVSBP-JTQLQIEISA-N 1 0 210.296 2.360 20 30 BEEDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602684441 349676487 /nfs/dbraw/zinc/67/64/87/349676487.db2.gz YFYKCDNUUYHAMX-VXGBXAGGSA-N 1 0 234.347 2.493 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCCC1(C)C ZINC000602684966 349677001 /nfs/dbraw/zinc/67/70/01/349677001.db2.gz CEYHQFYJZIUIHY-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CCC#N)C12CCC2 ZINC000602687419 349678782 /nfs/dbraw/zinc/67/87/82/349678782.db2.gz MJWABXKIMNHOCA-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccn(C)n1 ZINC000602687625 349678801 /nfs/dbraw/zinc/67/88/01/349678801.db2.gz OOOANSSMPBJGFK-UNXYVOJBSA-N 1 0 232.331 2.153 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](C)CCC#N)C12CCC2 ZINC000602687416 349678820 /nfs/dbraw/zinc/67/88/20/349678820.db2.gz MJWABXKIMNHOCA-FRRDWIJNSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCCF ZINC000602678757 349671585 /nfs/dbraw/zinc/67/15/85/349671585.db2.gz YPURFRANBQJYCR-GFCCVEGCSA-N 1 0 242.338 2.425 20 30 BEEDRO C[C@H](CCCCO)[NH2+]C1CCC(C#N)CC1 ZINC000602678651 349671730 /nfs/dbraw/zinc/67/17/30/349671730.db2.gz MUZQEBBUJKQPOH-PNESKVBLSA-N 1 0 224.348 2.209 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602679297 349671795 /nfs/dbraw/zinc/67/17/95/349671795.db2.gz CMPMDEZELGIDLB-GVXVVHGQSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC(C(F)F)C1 ZINC000602688633 349679039 /nfs/dbraw/zinc/67/90/39/349679039.db2.gz NDDQMOHMUHVTPP-MRVPVSSYSA-N 1 0 202.248 2.123 20 30 BEEDRO COc1cccnc1C[NH2+]C[C@@H](C)CCC#N ZINC000602680005 349672474 /nfs/dbraw/zinc/67/24/74/349672474.db2.gz CDNUEVFKIFFJRS-NSHDSACASA-N 1 0 233.315 2.120 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)C[C@@H](C)CCC#N ZINC000602680141 349672617 /nfs/dbraw/zinc/67/26/17/349672617.db2.gz JRWLRATWRFBEGD-RYUDHWBXSA-N 1 0 212.337 2.019 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602681269 349673266 /nfs/dbraw/zinc/67/32/66/349673266.db2.gz NGACUCRPWFMTAX-HTAVTVPLSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602680595 349673458 /nfs/dbraw/zinc/67/34/58/349673458.db2.gz FHVSATOICMUOEA-UHFFFAOYSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H](Cc1cnn(C)c1)[NH2+]C1CCC(C#N)CC1 ZINC000602681541 349673673 /nfs/dbraw/zinc/67/36/73/349673673.db2.gz BOXTXOTZDMOIJO-DCBWTQNWSA-N 1 0 246.358 2.023 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000602665849 349684813 /nfs/dbraw/zinc/68/48/13/349684813.db2.gz DDUQDOXKDQWVSF-DGCLKSJQSA-N 1 0 238.375 2.313 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000308859478 133450821 /nfs/dbraw/zinc/45/08/21/133450821.db2.gz XXSBTNSLJNGCAA-RYUDHWBXSA-N 1 0 204.317 2.458 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@@H](C)CCC#N ZINC000602660385 349680464 /nfs/dbraw/zinc/68/04/64/349680464.db2.gz BRTHZLYMWOLJIH-XDSHMYFISA-N 1 0 248.370 2.281 20 30 BEEDRO CC(C)(CC#N)C[NH2+]CCC[C@H]1CCO1 ZINC000602690283 349687592 /nfs/dbraw/zinc/68/75/92/349687592.db2.gz IIVVGJRCIGRCPU-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)C[C@H](C)CCC#N ZINC000602663539 349682750 /nfs/dbraw/zinc/68/27/50/349682750.db2.gz CXUFPUWWXGNWDK-CHWSQXEVSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+]CC(C)(C)CCC#N ZINC000602663149 349682970 /nfs/dbraw/zinc/68/29/70/349682970.db2.gz UIISWOJGKKDHAJ-GFCCVEGCSA-N 1 0 246.358 2.327 20 30 BEEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)O ZINC000337138072 344016681 /nfs/dbraw/zinc/01/66/81/344016681.db2.gz OUAUDYCSLSAOCT-CYBMUJFWSA-N 1 0 246.354 2.397 20 30 BEEDRO CCC[C@]1([NH2+]C[C@H](C)CCC#N)CCOC1 ZINC000602664864 349683680 /nfs/dbraw/zinc/68/36/80/349683680.db2.gz WEOCHNNVDXZWBV-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602664766 349683831 /nfs/dbraw/zinc/68/38/31/349683831.db2.gz VEPNYIXOIZNBRW-XKGSQUFQSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602664767 349684022 /nfs/dbraw/zinc/68/40/22/349684022.db2.gz VEPNYIXOIZNBRW-YYJSSNLHSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC1(F)F ZINC000602692785 349689815 /nfs/dbraw/zinc/68/98/15/349689815.db2.gz BCCDQKCETFYCAF-QEYWKRMJSA-N 1 0 214.259 2.312 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000602692471 349689891 /nfs/dbraw/zinc/68/98/91/349689891.db2.gz IGYYLMQFDFKMPX-AGIUHOORSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC12CC2 ZINC000602692733 349690056 /nfs/dbraw/zinc/69/00/56/349690056.db2.gz AMRVJICCUWQDTA-VXGBXAGGSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC12CC2 ZINC000602692731 349690182 /nfs/dbraw/zinc/69/01/82/349690182.db2.gz 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/nfs/dbraw/zinc/68/91/88/349689188.db2.gz QKRGEIDPIHHHFD-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO CCC[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)OC ZINC000602704522 349698422 /nfs/dbraw/zinc/69/84/22/349698422.db2.gz GYRNODXQWHIBKH-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000602706179 349700333 /nfs/dbraw/zinc/70/03/33/349700333.db2.gz BKFDZLKKTVFQQG-UGFHNGPFSA-N 1 0 244.338 2.174 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000602708505 349700976 /nfs/dbraw/zinc/70/09/76/349700976.db2.gz PBXCJDNJMLQPRK-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000351845119 136256528 /nfs/dbraw/zinc/25/65/28/136256528.db2.gz QTSOSJCTLJZSLM-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C[NH+]=C(NCc1ccoc1)NCc1ccsc1 ZINC000176287698 346907626 /nfs/dbraw/zinc/90/76/26/346907626.db2.gz QQGXSMQIQSHEAT-UHFFFAOYSA-N 1 0 249.339 2.206 20 30 BEEDRO COCCCN(CCC#N)Cc1ccco1 ZINC000176289481 346907951 /nfs/dbraw/zinc/90/79/51/346907951.db2.gz ZYGDIYDNXSRCOL-UHFFFAOYSA-N 1 0 222.288 2.032 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC2(CC2(F)F)C1 ZINC000602708850 349701519 /nfs/dbraw/zinc/70/15/19/349701519.db2.gz YRKXSKKHJUACMG-VIFPVBQESA-N 1 0 214.259 2.267 20 30 BEEDRO Cc1noc([C@@H](C)[N@@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602709478 349702086 /nfs/dbraw/zinc/70/20/86/349702086.db2.gz IVRBUJWUWKMMRM-VHSXEESVSA-N 1 0 236.319 2.311 20 30 BEEDRO N#CCC1C[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000602708655 349702172 /nfs/dbraw/zinc/70/21/72/349702172.db2.gz OPZKTYXPQYPCQS-KGYLQXTDSA-N 1 0 204.317 2.268 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(CO)cc1 ZINC000602700152 349695907 /nfs/dbraw/zinc/69/59/07/349695907.db2.gz KTYVUUWPJLECQQ-LBPRGKRZSA-N 1 0 232.327 2.208 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602700255 349696097 /nfs/dbraw/zinc/69/60/97/349696097.db2.gz SKAMZVKFRLWQCY-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CC1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000602700274 349696449 /nfs/dbraw/zinc/69/64/49/349696449.db2.gz UUVZEEGDLPWTQU-UHFFFAOYSA-N 1 0 217.316 2.352 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000313501162 259336286 /nfs/dbraw/zinc/33/62/86/259336286.db2.gz RFBDWGXBQZOEQB-UHFFFAOYSA-N 1 0 220.316 2.454 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+]C1CCC(C#N)CC1 ZINC000602714190 349705691 /nfs/dbraw/zinc/70/56/91/349705691.db2.gz WMQYLROBCMSDGG-LKSINWNRSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000602715466 349706385 /nfs/dbraw/zinc/70/63/85/349706385.db2.gz NSQLYPICNAXKHZ-JQWIXIFHSA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602716189 349707012 /nfs/dbraw/zinc/70/70/12/349707012.db2.gz AIUAXIVPDDJWQR-VXGBXAGGSA-N 1 0 205.305 2.162 20 30 BEEDRO N#CC1(CN2CCc3c(F)cccc3C2)CC1 ZINC000335901160 136259253 /nfs/dbraw/zinc/25/92/53/136259253.db2.gz PSCNLWZRAMHRND-UHFFFAOYSA-N 1 0 230.286 2.488 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1nccn1C ZINC000602720316 349712416 /nfs/dbraw/zinc/71/24/16/349712416.db2.gz BIMLASXUWJONJF-VOMCLLRMSA-N 1 0 232.331 2.153 20 30 BEEDRO CCC[C@H](CCO)[NH2+]C[C@H](C)CCC#N ZINC000602723896 349714381 /nfs/dbraw/zinc/71/43/81/349714381.db2.gz HYZGLFPALYKEIE-VXGBXAGGSA-N 1 0 212.337 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000602726197 349715625 /nfs/dbraw/zinc/71/56/25/349715625.db2.gz WCXMFWHQIIAJFJ-RTXFEEFZSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@]1(C)COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602795816 349738020 /nfs/dbraw/zinc/73/80/20/349738020.db2.gz CVYRSMUGOMTHNY-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1F ZINC000602802052 349741772 /nfs/dbraw/zinc/74/17/72/349741772.db2.gz OCXJULIPNZLAPF-MNOVXSKESA-N 1 0 210.296 2.360 20 30 BEEDRO N#CCC1(C[NH+]2CCC([C@@H]3CCOC3)CC2)CC1 ZINC000602804088 349742682 /nfs/dbraw/zinc/74/26/82/349742682.db2.gz HOJLNUVOBYSSAT-CQSZACIVSA-N 1 0 248.370 2.429 20 30 BEEDRO C[C@H]1C[C@H]([N@H+](C)CC2(CC#N)CC2)CCN1C ZINC000602778551 349744872 /nfs/dbraw/zinc/74/48/72/349744872.db2.gz LZOLYQDAXUHFHG-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602779362 349746387 /nfs/dbraw/zinc/74/63/87/349746387.db2.gz MFRNRZOWXQAJLG-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000602821508 349761623 /nfs/dbraw/zinc/76/16/23/349761623.db2.gz OYLJIGAELJMVSU-GFCCVEGCSA-N 1 0 242.322 2.143 20 30 BEEDRO CCC(CC)(CCO)[NH2+]CC1(CC#N)CC1 ZINC000602824066 349764384 /nfs/dbraw/zinc/76/43/84/349764384.db2.gz LYWNFFYDPXIVTI-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@]3(C2)CCCOC3)CC1 ZINC000602826266 349765200 /nfs/dbraw/zinc/76/52/00/349765200.db2.gz KHNRDXKSWADYGN-AWEZNQCLSA-N 1 0 234.343 2.183 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOCC3(CCC3)C2)CC1 ZINC000602810345 349755138 /nfs/dbraw/zinc/75/51/38/349755138.db2.gz SPGJCUISODGNCU-UHFFFAOYSA-N 1 0 234.343 2.183 20 30 BEEDRO CC(C)(CO)[C@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000602833977 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237.734 2.479 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000449522061 259351390 /nfs/dbraw/zinc/35/13/90/259351390.db2.gz VNSGSZBQWQVCJS-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000360307115 136268381 /nfs/dbraw/zinc/26/83/81/136268381.db2.gz BXZWIGLNTMLWAJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCCC[C@@H]1C ZINC000061758691 343118587 /nfs/dbraw/zinc/11/85/87/343118587.db2.gz PVUNRFDVQRQUJU-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000264449727 187235367 /nfs/dbraw/zinc/23/53/67/187235367.db2.gz HVSPWLBIHAFCNM-CQSZACIVSA-N 1 0 247.338 2.078 20 30 BEEDRO CN(C)C(=[NH+]CC12CCC(CC1)C2)N(C)C ZINC000372284735 136269375 /nfs/dbraw/zinc/26/93/75/136269375.db2.gz CZUGUBVCFMBGIC-UHFFFAOYSA-N 1 0 223.364 2.046 20 30 BEEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000266080762 187234547 /nfs/dbraw/zinc/23/45/47/187234547.db2.gz YCCWPUNTFYJXMI-ZDUSSCGKSA-N 1 0 219.328 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240.734 2.323 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCOCCC#N ZINC000339085359 136271418 /nfs/dbraw/zinc/27/14/18/136271418.db2.gz GIPJOERPCZEDHT-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO CCC(CC)[C@H](CNCCC#N)[NH+]1CCCC1 ZINC000576937249 365723925 /nfs/dbraw/zinc/72/39/25/365723925.db2.gz ZBQPMZFPRQXMLZ-AWEZNQCLSA-N 1 0 237.391 2.390 20 30 BEEDRO Cc1nc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC000336696947 136274384 /nfs/dbraw/zinc/27/43/84/136274384.db2.gz MDLIWGOYUUCCRP-WDEREUQCSA-N 1 0 235.356 2.276 20 30 BEEDRO CO[C@@]1(C)C[C@H]([NH2+]CCCC#N)C1(C)C ZINC000336751939 136275404 /nfs/dbraw/zinc/27/54/04/136275404.db2.gz FRWZWDDNGGWKMV-JQWIXIFHSA-N 1 0 210.321 2.083 20 30 BEEDRO CC#CCC[NH2+]CC1(OC)CCCCC1 ZINC000308932545 136274170 /nfs/dbraw/zinc/27/41/70/136274170.db2.gz JXAJMPREQHBJCI-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC1CCCCC1 ZINC000308940227 136274283 /nfs/dbraw/zinc/27/42/83/136274283.db2.gz PUQLPUWFHOOFFY-CYBMUJFWSA-N 1 0 211.349 2.341 20 30 BEEDRO 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CC(C)CO[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339018661 136280111 /nfs/dbraw/zinc/28/01/11/136280111.db2.gz CSEZSIJLLVJDAK-HZSPNIEDSA-N 1 0 236.359 2.426 20 30 BEEDRO Cc1ccnc(N[C@@H]2CCC[N@H+](C)[C@H]2C)c1C#N ZINC000343506421 343251868 /nfs/dbraw/zinc/25/18/68/343251868.db2.gz HCXHURGOQWLMCM-WCQYABFASA-N 1 0 244.342 2.156 20 30 BEEDRO C=CCOCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000339015328 136280236 /nfs/dbraw/zinc/28/02/36/136280236.db2.gz VMJFEMHPNRAEFE-LBPRGKRZSA-N 1 0 229.389 2.262 20 30 BEEDRO C=CCCCCCn1cc([C@@H]([NH3+])CC)nn1 ZINC000641047229 362155633 /nfs/dbraw/zinc/15/56/33/362155633.db2.gz SFZVTASSIFRRKV-NSHDSACASA-N 1 0 222.336 2.434 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000343584081 343257160 /nfs/dbraw/zinc/25/71/60/343257160.db2.gz AYKSYYSEZWZIAC-WFASDCNBSA-N 1 0 244.338 2.115 20 30 BEEDRO C[N@H+](CCOCCC#N)C1Cc2ccccc2C1 ZINC000292691554 136289203 /nfs/dbraw/zinc/28/92/03/136289203.db2.gz ANRVVKQFVAWHRE-UHFFFAOYSA-N 1 0 244.338 2.016 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cc1C#N ZINC000295130634 136290320 /nfs/dbraw/zinc/29/03/20/136290320.db2.gz XYHMTVKMECVHJA-AAEUAGOBSA-N 1 0 242.326 2.069 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCn1cnnc1CC)C1CC1 ZINC000121446139 343266422 /nfs/dbraw/zinc/26/64/22/343266422.db2.gz HEYYAHSHCDUJPG-CYBMUJFWSA-N 1 0 248.374 2.175 20 30 BEEDRO CC[N@H+](CCCCC#N)C[C@@H]1CCOC1 ZINC000609047833 343268511 /nfs/dbraw/zinc/26/85/11/343268511.db2.gz ZEGXXNFSRRVZBG-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C=C(C)C[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000119643469 136292018 /nfs/dbraw/zinc/29/20/18/136292018.db2.gz SAAJBPARFMDKRH-UHFFFAOYSA-N 1 0 242.326 2.148 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000274584974 136285240 /nfs/dbraw/zinc/28/52/40/136285240.db2.gz DHQIBWUMXPWFKD-XBFCOCLRSA-N 1 0 230.311 2.002 20 30 BEEDRO C[C@@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(C#N)o1 ZINC000343979605 343317016 /nfs/dbraw/zinc/31/70/16/343317016.db2.gz WZKVXZIMYXUCTL-WDEREUQCSA-N 1 0 234.299 2.198 20 30 BEEDRO CN1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C(C)(C)C ZINC000602873515 349804125 /nfs/dbraw/zinc/80/41/25/349804125.db2.gz JZWTZRMBKMPKJG-MGPQQGTHSA-N 1 0 249.402 2.341 20 30 BEEDRO Cc1csc([C@@H](C)[NH2+]CCCC#N)n1 ZINC000070634605 343336738 /nfs/dbraw/zinc/33/67/38/343336738.db2.gz DDUNIXNMCNJBJB-SECBINFHSA-N 1 0 209.318 2.406 20 30 BEEDRO Cc1cc(C#N)ccc1CN1C[C@H](C)OC[C@@H]1C ZINC000165441875 343349427 /nfs/dbraw/zinc/34/94/27/343349427.db2.gz URLZQAXZWZRRGH-STQMWFEESA-N 1 0 244.338 2.476 20 30 BEEDRO CC[C@@H]1CN(Cc2ccc(C#N)cc2C)CCO1 ZINC000165442154 343349691 /nfs/dbraw/zinc/34/96/91/343349691.db2.gz ZALKVJSEDUTPEA-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCCO1 ZINC000165452732 343353160 /nfs/dbraw/zinc/35/31/60/343353160.db2.gz OPZPNYLXWPIDFG-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO COC(=O)CCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000348903140 136305078 /nfs/dbraw/zinc/30/50/78/136305078.db2.gz GDKWJXXBZHXSDY-RYUDHWBXSA-N 1 0 238.331 2.002 20 30 BEEDRO C[C@@H]1[N@H+](CCCC#N)CCC12CCOCC2 ZINC000335673966 136317690 /nfs/dbraw/zinc/31/76/90/136317690.db2.gz KYCXWRARHYQMCB-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C#N)o1 ZINC000344584918 343422283 /nfs/dbraw/zinc/42/22/83/343422283.db2.gz WMHZWMVULUDNIC-MNOVXSKESA-N 1 0 236.315 2.038 20 30 BEEDRO C=C(CC)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381631 343395874 /nfs/dbraw/zinc/39/58/74/343395874.db2.gz YBJUYDVINOALRR-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCCN1C ZINC000344340850 343396924 /nfs/dbraw/zinc/39/69/24/343396924.db2.gz ZTEMFQUOFNMVOM-SWLSCSKDSA-N 1 0 243.354 2.131 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)c2)CCOC1 ZINC000344375989 343397429 /nfs/dbraw/zinc/39/74/29/343397429.db2.gz WUTALTPUMAHBCE-CQSZACIVSA-N 1 0 230.311 2.074 20 30 BEEDRO CC1(C)CC[C@@H](CO)[N@H+](CC2(CC#N)CC2)C1 ZINC000602910553 349807567 /nfs/dbraw/zinc/80/75/67/349807567.db2.gz AFXQKZRCCQEBEF-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000274405723 187338497 /nfs/dbraw/zinc/33/84/97/187338497.db2.gz CAVQXDWEHMHQQL-IBUXWKBASA-N 1 0 248.301 2.114 20 30 BEEDRO N#CCN1CCC([NH2+]C2CCCCCC2)CC1 ZINC000609334818 343418888 /nfs/dbraw/zinc/41/88/88/343418888.db2.gz ITWRMZQHZALQCZ-UHFFFAOYSA-N 1 0 235.375 2.287 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000335680501 136328586 /nfs/dbraw/zinc/32/85/86/136328586.db2.gz VDFJHKBWOXGRLP-WDEREUQCSA-N 1 0 249.383 2.144 20 30 BEEDRO COC[C@]1(C)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000394502376 259360527 /nfs/dbraw/zinc/36/05/27/259360527.db2.gz GJJYWERXSQEACH-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCOC(C)(C)C1 ZINC000349459069 136352039 /nfs/dbraw/zinc/35/20/39/136352039.db2.gz VSWONRZFYPJNDW-ZDUSSCGKSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCN1CCOCC1 ZINC000349490570 136352162 /nfs/dbraw/zinc/35/21/62/136352162.db2.gz BZMFFXIQTDKTAP-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)CCOC(C)C)CC1 ZINC000349188662 136331071 /nfs/dbraw/zinc/33/10/71/136331071.db2.gz CXRJLRGCVMESAI-CQSZACIVSA-N 1 0 241.375 2.060 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000166296836 136331650 /nfs/dbraw/zinc/33/16/50/136331650.db2.gz XIVKRARQOZZQQU-UHFFFAOYSA-N 1 0 232.283 2.406 20 30 BEEDRO C[N@H+](CCCCC#N)CCc1ccccn1 ZINC000042222185 343431470 /nfs/dbraw/zinc/43/14/70/343431470.db2.gz MVQKODFSDBSKLX-UHFFFAOYSA-N 1 0 217.316 2.250 20 30 BEEDRO N#CC1(C[NH+]2CCC(C3CCOCC3)CC2)CC1 ZINC000335718752 136340541 /nfs/dbraw/zinc/34/05/41/136340541.db2.gz UOBRKUWFHZYEJR-UHFFFAOYSA-N 1 0 248.370 2.429 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000274561543 136375344 /nfs/dbraw/zinc/37/53/44/136375344.db2.gz YUNXWVVRZZZICL-GMXVVIOVSA-N 1 0 215.300 2.424 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCSc2ccccc21 ZINC000289839985 136375584 /nfs/dbraw/zinc/37/55/84/136375584.db2.gz PUZMHLWRRRRPHE-ZYHUDNBSSA-N 1 0 235.352 2.360 20 30 BEEDRO C=C1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000577000920 365750788 /nfs/dbraw/zinc/75/07/88/365750788.db2.gz BFIFVSPLABWKBE-CQSZACIVSA-N 1 0 244.338 2.173 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCC2CC2)n1 ZINC000308933704 346942165 /nfs/dbraw/zinc/94/21/65/346942165.db2.gz NJLKSZRIWIUPPD-UHFFFAOYSA-N 1 0 221.329 2.295 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCSC1 ZINC000083640513 343493621 /nfs/dbraw/zinc/49/36/21/343493621.db2.gz CQARNLFKLNCYPI-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000310383725 343468170 /nfs/dbraw/zinc/46/81/70/343468170.db2.gz JPTIZKDPIPTBJZ-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO CC[C@@]1([NH2+]Cc2ccccc2C#N)CCOC1 ZINC000616487739 343472695 /nfs/dbraw/zinc/47/26/95/343472695.db2.gz VUWDURJLLHKERI-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO COCCN(CCC#N)Cc1ccsc1 ZINC000070846109 343513400 /nfs/dbraw/zinc/51/34/00/343513400.db2.gz BPTKZMMBQFBYKR-UHFFFAOYSA-N 1 0 224.329 2.110 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnccn1 ZINC000310535606 343527654 /nfs/dbraw/zinc/52/76/54/343527654.db2.gz AQBLQEKESQBTCJ-UHFFFAOYSA-N 1 0 205.305 2.169 20 30 BEEDRO C=CC[N@@H+](CCN(C#N)CC)C(C)(C)C ZINC000602897334 349814121 /nfs/dbraw/zinc/81/41/21/349814121.db2.gz UFEXABCHHROJJK-UHFFFAOYSA-N 1 0 209.337 2.076 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1csc(C)c1C ZINC000631110830 343580271 /nfs/dbraw/zinc/58/02/71/343580271.db2.gz KJSNMPXQLZSKQW-LBPRGKRZSA-N 1 0 225.357 2.392 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1COC1 ZINC000624236260 343580785 /nfs/dbraw/zinc/58/07/85/343580785.db2.gz ZUPIEUYHHINCRB-STQMWFEESA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000602930721 349822162 /nfs/dbraw/zinc/82/21/62/349822162.db2.gz GQWRGHKXXPMBEQ-AAEUAGOBSA-N 1 0 225.332 2.084 20 30 BEEDRO Cc1nc(NCC2CC[NH+](C)CC2)ccc1C#N ZINC000311075036 343629268 /nfs/dbraw/zinc/62/92/68/343629268.db2.gz AERWWTRIWMGTQM-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO C[NH+](C)CCSCc1ccc(C#N)s1 ZINC000580580289 365790788 /nfs/dbraw/zinc/79/07/88/365790788.db2.gz AAHVRAHZZKWCLU-UHFFFAOYSA-N 1 0 226.370 2.415 20 30 BEEDRO N#CCCC[NH+]1CCc2ccccc2CC1 ZINC000071202983 343631632 /nfs/dbraw/zinc/63/16/32/343631632.db2.gz YRMBBJLZXDQRNK-UHFFFAOYSA-N 1 0 214.312 2.391 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccccc1OCC ZINC000320315428 537801149 /nfs/dbraw/zinc/80/11/49/537801149.db2.gz WBDFKNANWOFKLJ-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCC(C)(C)C#N ZINC000087598749 343654709 /nfs/dbraw/zinc/65/47/09/343654709.db2.gz CZWJREDYGMKKKA-NSHDSACASA-N 1 0 207.321 2.408 20 30 BEEDRO C[N@H+](CC1(CC#N)CC1)[C@H]1CCSC1 ZINC000083862293 343679719 /nfs/dbraw/zinc/67/97/19/343679719.db2.gz WPFGRGHGJVRZGP-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO N#Cc1cccc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000071396465 343663920 /nfs/dbraw/zinc/66/39/20/343663920.db2.gz FRQFVKGDQCGURG-LLVKDONJSA-N 1 0 240.266 2.033 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000339784070 343703175 /nfs/dbraw/zinc/70/31/75/343703175.db2.gz UUNSYHRDRGZWFH-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCC[C@H]1C#N ZINC000602979314 349843828 /nfs/dbraw/zinc/84/38/28/349843828.db2.gz BVQLFQQUWJQWLG-AVGNSLFASA-N 1 0 222.332 2.180 20 30 BEEDRO C[NH2+]CCCOc1ccc(C#N)cc1Cl ZINC000380141923 343683256 /nfs/dbraw/zinc/68/32/56/343683256.db2.gz YTKNSASYAHAGQR-UHFFFAOYSA-N 1 0 224.691 2.200 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@H](O)[C@@H]3CCCC[C@@H]32)CC1 ZINC000602997455 349851375 /nfs/dbraw/zinc/85/13/75/349851375.db2.gz KIHBUASPEUVOJX-RDBSUJKOSA-N 1 0 248.370 2.306 20 30 BEEDRO COc1ccc(C[C@H](C)[NH2+]C[C@H](C)C#N)cc1 ZINC000054180660 187272224 /nfs/dbraw/zinc/27/22/24/187272224.db2.gz BOPVVMHLYPAWTG-NEPJUHHUSA-N 1 0 232.327 2.375 20 30 BEEDRO C=CCSCC[NH2+]CCC1CCOCC1 ZINC000309079251 349855123 /nfs/dbraw/zinc/85/51/23/349855123.db2.gz NTVAYTFKZLNXQW-UHFFFAOYSA-N 1 0 229.389 2.312 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602441410 343758431 /nfs/dbraw/zinc/75/84/31/343758431.db2.gz FOOQVAWKIRJCIN-JTQLQIEISA-N 1 0 215.300 2.184 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1scnc1C1CC1 ZINC000336661475 537821092 /nfs/dbraw/zinc/82/10/92/537821092.db2.gz BWQGTKNDYCLWGE-JTQLQIEISA-N 1 0 238.356 2.047 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000625699940 344039063 /nfs/dbraw/zinc/03/90/63/344039063.db2.gz FGOUZVILYGKFNB-AWEZNQCLSA-N 1 0 233.359 2.398 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000625700425 344039514 /nfs/dbraw/zinc/03/95/14/344039514.db2.gz BTMHETGVFRCZRV-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)CCO)C1CC1 ZINC000121452524 349879725 /nfs/dbraw/zinc/87/97/25/349879725.db2.gz ZVYKARWUEVRWCU-AAEUAGOBSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000625700939 344041143 /nfs/dbraw/zinc/04/11/43/344041143.db2.gz FVVFDVCXQPUWQE-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000625701039 344041167 /nfs/dbraw/zinc/04/11/67/344041167.db2.gz GQZHOQAUTSXLPL-LBPRGKRZSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)CCOC(C)C)C1 ZINC000625700968 344041173 /nfs/dbraw/zinc/04/11/73/344041173.db2.gz FZGBTXIENWOBSN-UONOGXRCSA-N 1 0 241.375 2.060 20 30 BEEDRO CCOCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000159066953 346999448 /nfs/dbraw/zinc/99/94/48/346999448.db2.gz JVCKFAUCYYQAGE-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447564600 201723419 /nfs/dbraw/zinc/72/34/19/201723419.db2.gz YBVOWPORFDQJFU-REWJHTLYSA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)ccc1C#N ZINC000334569420 343892474 /nfs/dbraw/zinc/89/24/74/343892474.db2.gz PCXDHERYGJCJGS-SWLSCSKDSA-N 1 0 244.338 2.069 20 30 BEEDRO N#Cc1cccc(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000334600927 343896004 /nfs/dbraw/zinc/89/60/04/343896004.db2.gz ZPFBZBCOBCMFBA-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCO[C@H](CF)C2)cc1 ZINC000334644651 343896110 /nfs/dbraw/zinc/89/61/10/343896110.db2.gz DKHNUUIJGCIGOJ-CQSZACIVSA-N 1 0 248.301 2.119 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)n1 ZINC000602624290 343937161 /nfs/dbraw/zinc/93/71/61/343937161.db2.gz LQAYDYQVAZEBAO-BXUZGUMPSA-N 1 0 227.311 2.328 20 30 BEEDRO Cc1nnsc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000293778033 343938017 /nfs/dbraw/zinc/93/80/17/343938017.db2.gz TUNDLPWUXAJNSP-VHSXEESVSA-N 1 0 236.344 2.019 20 30 BEEDRO C[C@H](CNc1ccc(C#N)cc1F)[NH+](C)C ZINC000038089143 343941364 /nfs/dbraw/zinc/94/13/64/343941364.db2.gz FHEZKAMJHFRYKY-SECBINFHSA-N 1 0 221.279 2.059 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCCOC2)ccc1C#N ZINC000335122857 343929270 /nfs/dbraw/zinc/92/92/70/343929270.db2.gz CBPDILMUDISCOL-CQSZACIVSA-N 1 0 230.311 2.135 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC000620312927 343935209 /nfs/dbraw/zinc/93/52/09/343935209.db2.gz RLJYBMSULNQUKW-BETUJISGSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000625701292 344041932 /nfs/dbraw/zinc/04/19/32/344041932.db2.gz ILABHTSREGEEOC-GFCCVEGCSA-N 1 0 234.347 2.257 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(CCC[NH3+])nn1 ZINC000641232852 362284318 /nfs/dbraw/zinc/28/43/18/362284318.db2.gz ICQAETASMATNDT-LLVKDONJSA-N 1 0 222.336 2.087 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602683684 343961741 /nfs/dbraw/zinc/96/17/41/343961741.db2.gz RHLZCAGGPUGISN-FZMZJTMJSA-N 1 0 229.327 2.335 20 30 BEEDRO COCC[N@H+](CCC#N)C[C@H]1CC=CCC1 ZINC000093099926 343962873 /nfs/dbraw/zinc/96/28/73/343962873.db2.gz UMMPOEWSISBBRP-ZDUSSCGKSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CCCC[C@H](C)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000641234841 362288439 /nfs/dbraw/zinc/28/84/39/362288439.db2.gz VVEJNQVECJPKME-WDEREUQCSA-N 1 0 222.336 2.476 20 30 BEEDRO C=CCCC[C@H](C)n1cc(C[NH2+]CC)nn1 ZINC000641235044 362289046 /nfs/dbraw/zinc/28/90/46/362289046.db2.gz MEOLGKPGGRBOPR-NSHDSACASA-N 1 0 222.336 2.305 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000625703064 344047501 /nfs/dbraw/zinc/04/75/01/344047501.db2.gz KWFAQCREZKKKIC-LBPRGKRZSA-N 1 0 244.338 2.184 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC000625704586 344049848 /nfs/dbraw/zinc/04/98/48/344049848.db2.gz YSLOVVUBBPHWGK-SNVBAGLBSA-N 1 0 222.288 2.081 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000625701626 344052755 /nfs/dbraw/zinc/05/27/55/344052755.db2.gz KYSDFFOEUSVAJB-LBPRGKRZSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000625701777 344052919 /nfs/dbraw/zinc/05/29/19/344052919.db2.gz AQDUAWLKPIGCQF-LBPRGKRZSA-N 1 0 217.316 2.183 20 30 BEEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCCCC#N)C1 ZINC000187983342 259372366 /nfs/dbraw/zinc/37/23/66/259372366.db2.gz ARKORXRQAIXISD-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCOCC[N@H+]1CCCC(F)(F)CC1 ZINC000625772177 344069698 /nfs/dbraw/zinc/06/96/98/344069698.db2.gz NZACUOTYWYZKDA-UHFFFAOYSA-N 1 0 219.275 2.310 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CC)C(C)(C)C ZINC000290278568 344112220 /nfs/dbraw/zinc/11/22/20/344112220.db2.gz YVMQLCKSFNVDOB-LBPRGKRZSA-N 1 0 219.332 2.041 20 30 BEEDRO CC[C@H]([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603259850 349902207 /nfs/dbraw/zinc/90/22/07/349902207.db2.gz KGHTWPMMQUDBRM-JTQLQIEISA-N 1 0 235.335 2.018 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1CC ZINC000309189365 344127885 /nfs/dbraw/zinc/12/78/85/344127885.db2.gz PLSDFIFYJAUUQM-XQQFMLRXSA-N 1 0 211.349 2.339 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000157954993 344133759 /nfs/dbraw/zinc/13/37/59/344133759.db2.gz RUMCLFWWGPFMCZ-YPMHNXCESA-N 1 0 244.342 2.156 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000129149797 344211330 /nfs/dbraw/zinc/21/13/30/344211330.db2.gz VKLGJZDXTOCZCP-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCN(Cc1cccs1)C(=O)[C@H]([NH3+])CC ZINC000129157616 344211479 /nfs/dbraw/zinc/21/14/79/344211479.db2.gz BNJNESXPJJDHGC-LLVKDONJSA-N 1 0 238.356 2.000 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000130699153 344223746 /nfs/dbraw/zinc/22/37/46/344223746.db2.gz VQCOKHBCXLLSCH-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO CCOC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595210 344235502 /nfs/dbraw/zinc/23/55/02/344235502.db2.gz JDSLHCYZYFJZHW-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CCC[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000126821417 344184089 /nfs/dbraw/zinc/18/40/89/344184089.db2.gz HBWQVKSGLBAVPU-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO N#CCOc1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000180554331 347033526 /nfs/dbraw/zinc/03/35/26/347033526.db2.gz GVWDRXYNBNKKRO-GFCCVEGCSA-N 1 0 248.351 2.184 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(COC)o1 ZINC000128311192 344205927 /nfs/dbraw/zinc/20/59/27/344205927.db2.gz HLPMGMJGJPNERW-SNVBAGLBSA-N 1 0 209.289 2.480 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000271483855 166203134 /nfs/dbraw/zinc/20/31/34/166203134.db2.gz KVKTYJPWWMXHQR-JTQLQIEISA-N 1 0 249.383 2.110 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C/c1ccccc1OC ZINC000289316134 344253620 /nfs/dbraw/zinc/25/36/20/344253620.db2.gz FEZHCOGUVUSNMY-YPUOHESYSA-N 1 0 215.296 2.320 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000600733990 344364595 /nfs/dbraw/zinc/36/45/95/344364595.db2.gz MNXHOHWTCPKUNA-ZDUSSCGKSA-N 1 0 248.370 2.354 20 30 BEEDRO C[C@]1(C[NH2+]C[C@@H](C#N)CCC#N)C[C@H]2C[C@H]2C1 ZINC000600613905 344336859 /nfs/dbraw/zinc/33/68/59/344336859.db2.gz KVXFUTYFDYPVEF-MQYQWHSLSA-N 1 0 231.343 2.456 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000600739123 344366350 /nfs/dbraw/zinc/36/63/50/344366350.db2.gz MUDBMRWWDOPPOW-MJBXVCDLSA-N 1 0 248.370 2.067 20 30 BEEDRO CC(C)CCOCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309399956 347046985 /nfs/dbraw/zinc/04/69/85/347046985.db2.gz VZXOBYDHJRAKAW-CHWSQXEVSA-N 1 0 224.348 2.331 20 30 BEEDRO C[NH+](C)[C@H]1C[C@H](Nc2ncccc2C#N)C1(C)C ZINC000603408038 344356824 /nfs/dbraw/zinc/35/68/24/344356824.db2.gz WEBXZUXYJOPWRM-RYUDHWBXSA-N 1 0 244.342 2.094 20 30 BEEDRO CC(C)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600719404 344362461 /nfs/dbraw/zinc/36/24/61/344362461.db2.gz SLEGQTQPXNRONY-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO COc1cc(C[NH2+]CCSC)ccc1C#N ZINC000234843142 344305146 /nfs/dbraw/zinc/30/51/46/344305146.db2.gz XZZHWGZHKLAQAN-UHFFFAOYSA-N 1 0 236.340 2.019 20 30 BEEDRO CC1(C)CC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600731933 344364514 /nfs/dbraw/zinc/36/45/14/344364514.db2.gz NXYKPZYWCWZVHS-RYUDHWBXSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C)CC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600733169 344364520 /nfs/dbraw/zinc/36/45/20/344364520.db2.gz HNWBSCJNIGBKEO-LBPRGKRZSA-N 1 0 236.359 2.067 20 30 BEEDRO CC[C@@H](C)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600750932 344368310 /nfs/dbraw/zinc/36/83/10/344368310.db2.gz XSNVOQXDTDDENP-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000336763278 537845210 /nfs/dbraw/zinc/84/52/10/537845210.db2.gz OWXVIOPAAHGHFY-AVGNSLFASA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@@H](CCc1ccco1)[NH2+]CCCC#N ZINC000042225490 344447556 /nfs/dbraw/zinc/44/75/56/344447556.db2.gz CEPCEHBPUPLOBN-NSHDSACASA-N 1 0 206.289 2.494 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000234893450 344447957 /nfs/dbraw/zinc/44/79/57/344447957.db2.gz QURMJTMHVXXSBA-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO N#CCCNC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380912292 344451654 /nfs/dbraw/zinc/45/16/54/344451654.db2.gz NKOKRJXJNXTIEI-OAHLLOKOSA-N 1 0 243.354 2.012 20 30 BEEDRO C=CCCCC[NH2+][C@@H](CC)Cn1cncn1 ZINC000309878344 344471161 /nfs/dbraw/zinc/47/11/61/344471161.db2.gz UGUUVKHEYDFHHG-LBPRGKRZSA-N 1 0 222.336 2.003 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CCC(F)(F)CC1 ZINC000306901586 344475406 /nfs/dbraw/zinc/47/54/06/344475406.db2.gz ORMJZEWDKMCSPO-MRVPVSSYSA-N 1 0 202.248 2.314 20 30 BEEDRO C[NH+](C)CCSc1ccc(C#N)cc1 ZINC000068577690 344482394 /nfs/dbraw/zinc/48/23/94/344482394.db2.gz BNYFILWUUBAPQA-UHFFFAOYSA-N 1 0 206.314 2.212 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135499124 344484301 /nfs/dbraw/zinc/48/43/01/344484301.db2.gz JZEUUVBHNRTEJN-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000381260537 344490949 /nfs/dbraw/zinc/49/09/49/344490949.db2.gz DTKSJFTWVGNFSB-QJPTWQEYSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765699 344493579 /nfs/dbraw/zinc/49/35/79/344493579.db2.gz BCOXKXSPMVDGAX-LLVKDONJSA-N 1 0 217.316 2.431 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000135511330 344502222 /nfs/dbraw/zinc/50/22/22/344502222.db2.gz RJDWCSKAKARDIX-SKDRFNHKSA-N 1 0 218.275 2.443 20 30 BEEDRO C=CCC1([NH2+]Cc2nncn2C)CCCCC1 ZINC000625935184 344571919 /nfs/dbraw/zinc/57/19/19/344571919.db2.gz QHORBLVOKCHHDM-UHFFFAOYSA-N 1 0 234.347 2.184 20 30 BEEDRO C=CCC1([NH2+]C[C@H](C)CO)CCCCC1 ZINC000625935362 344572665 /nfs/dbraw/zinc/57/26/65/344572665.db2.gz XNPLLKUDFNDNQH-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ncc[nH]1 ZINC000287607885 344541087 /nfs/dbraw/zinc/54/10/87/344541087.db2.gz SHXYPLSOZYDWDI-UNXYVOJBSA-N 1 0 232.331 2.390 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ncc[nH]1 ZINC000287607891 344541147 /nfs/dbraw/zinc/54/11/47/344541147.db2.gz SHXYPLSOZYDWDI-VOMCLLRMSA-N 1 0 232.331 2.390 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000309412135 347056632 /nfs/dbraw/zinc/05/66/32/347056632.db2.gz IRVZKMTVMGUCNA-IJLUTSLNSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000219917658 133523938 /nfs/dbraw/zinc/52/39/38/133523938.db2.gz QSBRSYARFFNHDT-ONGXEEELSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000309450078 347064083 /nfs/dbraw/zinc/06/40/83/347064083.db2.gz MIAQIGCGUHRQHN-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CCN(CCc1ccccc1)[C@H](C)C#N ZINC000181558716 347064649 /nfs/dbraw/zinc/06/46/49/347064649.db2.gz DNRYRMDLTUEZHR-GFCCVEGCSA-N 1 0 202.301 2.463 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000135538845 344744949 /nfs/dbraw/zinc/74/49/49/344744949.db2.gz MCEMHSSBTJHIIO-UHFFFAOYSA-N 1 0 204.248 2.363 20 30 BEEDRO Cc1ncc(C[NH+]2CCC(CC#N)CC2)o1 ZINC000259957755 344701747 /nfs/dbraw/zinc/70/17/47/344701747.db2.gz JFYBKKMAFUEASV-UHFFFAOYSA-N 1 0 219.288 2.109 20 30 BEEDRO N#Cc1cnccc1C[NH+]1CCCCCC1 ZINC000260251303 344765842 /nfs/dbraw/zinc/76/58/42/344765842.db2.gz SXXAONRDIUJROM-UHFFFAOYSA-N 1 0 215.300 2.329 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C#N)C12CCCC2 ZINC000085681133 347073658 /nfs/dbraw/zinc/07/36/58/347073658.db2.gz PLFYZFOWTXEMAX-RWMBFGLXSA-N 1 0 236.359 2.473 20 30 BEEDRO N#Cc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccn1 ZINC000135616560 344804129 /nfs/dbraw/zinc/80/41/29/344804129.db2.gz CPFJTQBWYVMHOW-STQMWFEESA-N 1 0 227.311 2.185 20 30 BEEDRO C=CCCC[N@@H+](C)CCn1nc(C)cc1C ZINC000076737045 344809038 /nfs/dbraw/zinc/80/90/38/344809038.db2.gz OMPMKTYYYSSHHW-UHFFFAOYSA-N 1 0 221.348 2.398 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000449524166 344811685 /nfs/dbraw/zinc/81/16/85/344811685.db2.gz ZFYYFUAKCDJFLZ-OLZOCXBDSA-N 1 0 239.265 2.398 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000077425613 344824059 /nfs/dbraw/zinc/82/40/59/344824059.db2.gz HTQMMWRFXMHYHL-NWDGAFQWSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077656469 344825023 /nfs/dbraw/zinc/82/50/23/344825023.db2.gz RVWPQSSEFHHIGP-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235223330 344848844 /nfs/dbraw/zinc/84/88/44/344848844.db2.gz ZCNJKIYPGNRKOO-DOMZBBRYSA-N 1 0 243.354 2.351 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631089085 344869975 /nfs/dbraw/zinc/86/99/75/344869975.db2.gz UESJHOZDJWPURO-SECBINFHSA-N 1 0 206.289 2.063 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000380358909 344890221 /nfs/dbraw/zinc/89/02/21/344890221.db2.gz XNAFYQCSDUHMAX-NEPJUHHUSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000235453351 344918555 /nfs/dbraw/zinc/91/85/55/344918555.db2.gz UYBYXUXMUATJIC-MRVPVSSYSA-N 1 0 245.248 2.327 20 30 BEEDRO C=CCN(C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000121272951 344918603 /nfs/dbraw/zinc/91/86/03/344918603.db2.gz NMZGYINYIDSYGF-UHFFFAOYSA-N 1 0 236.271 2.221 20 30 BEEDRO C[C@H]1CCN(Cc2cccc(C#N)c2)[C@@H](C[NH3+])C1 ZINC000235670117 344974001 /nfs/dbraw/zinc/97/40/01/344974001.db2.gz UUGDNWFGBMPMLK-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C(N)=O)cs1 ZINC000159010714 187298423 /nfs/dbraw/zinc/29/84/23/187298423.db2.gz PAUMDADVSIIZGA-UHFFFAOYSA-N 1 0 238.356 2.245 20 30 BEEDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)cc1C#N ZINC000135148458 187298491 /nfs/dbraw/zinc/29/84/91/187298491.db2.gz ZWODZKXOJFLHQG-MFKMUULPSA-N 1 0 230.311 2.312 20 30 BEEDRO CCCC(N)=[NH+]OCCc1ccc(OC)cc1 ZINC000123247055 344990596 /nfs/dbraw/zinc/99/05/96/344990596.db2.gz PPTJBXUFTBXPMG-UHFFFAOYSA-N 1 0 236.315 2.327 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000583448303 344993356 /nfs/dbraw/zinc/99/33/56/344993356.db2.gz VVWVNWBKLXXLIO-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](CCCSCC#N)C1 ZINC000336675839 133535741 /nfs/dbraw/zinc/53/57/41/133535741.db2.gz VXEYSGXJNBUCHN-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cn(C)nc1C ZINC000158988988 187298194 /nfs/dbraw/zinc/29/81/94/187298194.db2.gz TYNRGKWRRRAAGE-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123730077 345013603 /nfs/dbraw/zinc/01/36/03/345013603.db2.gz NDSMQSVFCAMZDM-AGIUHOORSA-N 1 0 243.354 2.028 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123775304 345015460 /nfs/dbraw/zinc/01/54/60/345015460.db2.gz WBFQEHBBNWUHGK-HZSPNIEDSA-N 1 0 243.354 2.029 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252881860 534983747 /nfs/dbraw/zinc/98/37/47/534983747.db2.gz TYFGQBYPIWRKDR-RWMBFGLXSA-N 1 0 236.359 2.019 20 30 BEEDRO CC(C)(C#N)CC[N@H+](CCCCO)C1CC1 ZINC000305788646 534986141 /nfs/dbraw/zinc/98/61/41/534986141.db2.gz SOSWSPXQAFGFHH-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000087595466 534987738 /nfs/dbraw/zinc/98/77/38/534987738.db2.gz VFSBRHLQOMUWBD-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC#CCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000155889168 345112692 /nfs/dbraw/zinc/11/26/92/345112692.db2.gz VQUVCMMHIJMUMS-CABCVRRESA-N 1 0 234.387 2.347 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156544923 345174604 /nfs/dbraw/zinc/17/46/04/345174604.db2.gz HTEFFNKOIAUQMD-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000166365280 166211947 /nfs/dbraw/zinc/21/19/47/166211947.db2.gz SAIPFQQOKSJKIV-SNVBAGLBSA-N 1 0 237.372 2.101 20 30 BEEDRO CCN(CCC[NH+](C)C)c1ccc(C)c(C#N)n1 ZINC000425256048 192085990 /nfs/dbraw/zinc/08/59/90/192085990.db2.gz OFLQUTUZXVNTFZ-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO CC(C)(C#N)CC[NH2+]C(C)(C)C(C)(C)O ZINC000227343885 534989319 /nfs/dbraw/zinc/98/93/19/534989319.db2.gz JWGFWGAELAWOII-UHFFFAOYSA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000087595468 534989131 /nfs/dbraw/zinc/98/91/31/534989131.db2.gz VFSBRHLQOMUWBD-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000309531569 534989153 /nfs/dbraw/zinc/98/91/53/534989153.db2.gz BXGFFOWIQUSMSP-YPMHNXCESA-N 1 0 224.348 2.067 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000158334375 345316268 /nfs/dbraw/zinc/31/62/68/345316268.db2.gz JSZJXWDOFIPFFG-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCOC1 ZINC000158492606 345340070 /nfs/dbraw/zinc/34/00/70/345340070.db2.gz FMHRZVAHMSEKST-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000228677643 345382353 /nfs/dbraw/zinc/38/23/53/345382353.db2.gz WMAIFINOHLPJAH-GHMZBOCLSA-N 1 0 234.347 2.230 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccccc1C#N ZINC000133678398 345382877 /nfs/dbraw/zinc/38/28/77/345382877.db2.gz YOVZXCTXPSJOHX-UHFFFAOYSA-N 1 0 217.272 2.003 20 30 BEEDRO CC(C)(CCO)C[NH2+]Cc1ccc(C#N)s1 ZINC000165234936 187302828 /nfs/dbraw/zinc/30/28/28/187302828.db2.gz IDHVXQRFGRQZOT-UHFFFAOYSA-N 1 0 238.356 2.118 20 30 BEEDRO COC[C@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000273282882 133544961 /nfs/dbraw/zinc/54/49/61/133544961.db2.gz QSQJAEBYXWOCNF-AWEZNQCLSA-N 1 0 232.327 2.137 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635504328 345404341 /nfs/dbraw/zinc/40/43/41/345404341.db2.gz VIIFTPGTLUDWGH-CQSZACIVSA-N 1 0 248.370 2.182 20 30 BEEDRO CO[C@@H](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111497 201812938 /nfs/dbraw/zinc/81/29/38/201812938.db2.gz MNFWJNPFLQMSGU-HIFPTAJRSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCN1CCO[C@]2(CCc3ccccc32)C1 ZINC000158934674 345391783 /nfs/dbraw/zinc/39/17/83/345391783.db2.gz VRZFTEYMKIHHAC-OAHLLOKOSA-N 1 0 229.323 2.346 20 30 BEEDRO CCC1([NH2+][C@@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000335731195 345507470 /nfs/dbraw/zinc/50/74/70/345507470.db2.gz VYTHZLBWPJOTSK-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CCN(CCC#N)[C@@H](C)c1cccnc1 ZINC000081039836 345458965 /nfs/dbraw/zinc/45/89/65/345458965.db2.gz ADKNYOZWJJVWAO-NSHDSACASA-N 1 0 203.289 2.378 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CC)[C@@H]1CCc2ccccc21 ZINC000081665726 345484303 /nfs/dbraw/zinc/48/43/03/345484303.db2.gz JNEZXMARZQTMPS-GDBMZVCRSA-N 1 0 243.350 2.380 20 30 BEEDRO C[NH+]=C(NCc1ncccc1C)N[C@@H](C)C(C)C ZINC000085712030 345529561 /nfs/dbraw/zinc/52/95/61/345529561.db2.gz LKUIZXGXKSLSPF-LBPRGKRZSA-N 1 0 248.374 2.100 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000070219800 345518069 /nfs/dbraw/zinc/51/80/69/345518069.db2.gz XNFMCXDKBGFFBI-LLVKDONJSA-N 1 0 232.352 2.496 20 30 BEEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1F)C1CC1 ZINC000091481916 345594701 /nfs/dbraw/zinc/59/47/01/345594701.db2.gz UJUUMTSPHWUWGW-CQSZACIVSA-N 1 0 247.317 2.449 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000091539708 345597126 /nfs/dbraw/zinc/59/71/26/345597126.db2.gz LJGIPIVZWVUUMH-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO [NH2+]=C(NCc1ccccn1)NC1CCCCCC1 ZINC000092276808 345626334 /nfs/dbraw/zinc/62/63/34/345626334.db2.gz DUABGKFLDJAQRQ-UHFFFAOYSA-N 1 0 246.358 2.209 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000181580505 187308795 /nfs/dbraw/zinc/30/87/95/187308795.db2.gz HEYPRRKOYKHQQQ-IUODEOHRSA-N 1 0 243.354 2.303 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCSC1 ZINC000225516378 535007294 /nfs/dbraw/zinc/00/72/94/535007294.db2.gz IFDPFJKUOWKQTA-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCSC1 ZINC000225516345 535006218 /nfs/dbraw/zinc/00/62/18/535006218.db2.gz IFDPFJKUOWKQTA-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000308883933 166216624 /nfs/dbraw/zinc/21/66/24/166216624.db2.gz VEAHVNCQZRWAPS-HIFPTAJRSA-N 1 0 207.317 2.090 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000166479110 166216629 /nfs/dbraw/zinc/21/66/29/166216629.db2.gz YVIAZFYCHTUSQZ-NSHDSACASA-N 1 0 203.285 2.115 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000300377602 345804778 /nfs/dbraw/zinc/80/47/78/345804778.db2.gz ALJOBCOBNKUJGV-MNOVXSKESA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635574112 345828602 /nfs/dbraw/zinc/82/86/02/345828602.db2.gz AAOSFFCXQWZXMR-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635579045 345877073 /nfs/dbraw/zinc/87/70/73/345877073.db2.gz ZSUREWGYLMSVIA-YPMHNXCESA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635579040 345877521 /nfs/dbraw/zinc/87/75/21/345877521.db2.gz ZSUREWGYLMSVIA-AAEUAGOBSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC000635583544 345879373 /nfs/dbraw/zinc/87/93/73/345879373.db2.gz HUVZPTWVVWHYRJ-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000282972302 187360534 /nfs/dbraw/zinc/36/05/34/187360534.db2.gz ZCPFEAJMIGWISV-JTQLQIEISA-N 1 0 222.313 2.135 20 30 BEEDRO N#CCC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000400934341 345923289 /nfs/dbraw/zinc/92/32/89/345923289.db2.gz PVWOGJJHIWFJRI-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCC[C@H]1CCOC1 ZINC000400949167 345931809 /nfs/dbraw/zinc/93/18/09/345931809.db2.gz WQWGHRONNSDZAM-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCOCc1ccccc1 ZINC000307751160 345938242 /nfs/dbraw/zinc/93/82/42/345938242.db2.gz MWWGOSJLUWEVJL-LBPRGKRZSA-N 1 0 218.300 2.095 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)NCc1cccc(C#N)c1 ZINC000289423338 187362217 /nfs/dbraw/zinc/36/22/17/187362217.db2.gz BTMKFGYDARCZKS-CYBMUJFWSA-N 1 0 245.370 2.377 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635770073 346059503 /nfs/dbraw/zinc/05/95/03/346059503.db2.gz JTZLVXRAUUXNIK-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635774423 346061081 /nfs/dbraw/zinc/06/10/81/346061081.db2.gz GUUIZCMLVIJROV-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635872137 346093450 /nfs/dbraw/zinc/09/34/50/346093450.db2.gz LNYOLHFQEGGHKO-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635989099 346140584 /nfs/dbraw/zinc/14/05/84/346140584.db2.gz XWLUVDUIYDAEFB-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635959308 346133101 /nfs/dbraw/zinc/13/31/01/346133101.db2.gz FSLWRSJGDCPUOA-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000289623321 346162563 /nfs/dbraw/zinc/16/25/63/346162563.db2.gz DSKAEGKFWBCZHP-WCQYABFASA-N 1 0 205.301 2.193 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@]1(C)CCCS1 ZINC000628231745 346183733 /nfs/dbraw/zinc/18/37/33/346183733.db2.gz ZOYHZNHRZFRFMW-NEPJUHHUSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000574903606 346219099 /nfs/dbraw/zinc/21/90/99/346219099.db2.gz VSINDZRXMAYOSB-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc2n[nH]cc21 ZINC000628251661 346221900 /nfs/dbraw/zinc/22/19/00/346221900.db2.gz QJBKLBHRJZNKQT-UHFFFAOYSA-N 1 0 245.326 2.197 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCc2ccccc21 ZINC000289690854 346262246 /nfs/dbraw/zinc/26/22/46/346262246.db2.gz IDLFVDBCUXWZHH-JSGCOSHPSA-N 1 0 217.312 2.201 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000236660242 346281722 /nfs/dbraw/zinc/28/17/22/346281722.db2.gz TYUDMDDREBVQJG-UHFFFAOYSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(SC)o1 ZINC000641747998 362675962 /nfs/dbraw/zinc/67/59/62/362675962.db2.gz RMPVTZFGBARAJI-SECBINFHSA-N 1 0 227.329 2.028 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccncc1N ZINC000641753026 362678177 /nfs/dbraw/zinc/67/81/77/362678177.db2.gz WPHLYIGUOWBYLD-NSHDSACASA-N 1 0 205.305 2.108 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(SC)o1 ZINC000641760841 362692811 /nfs/dbraw/zinc/69/28/11/362692811.db2.gz XGZQIFLZWCXWDJ-SNVBAGLBSA-N 1 0 241.356 2.418 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(SC)o1 ZINC000641757548 362687296 /nfs/dbraw/zinc/68/72/96/362687296.db2.gz BFJORCILCBJTLC-MNOVXSKESA-N 1 0 239.340 2.435 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000289763531 346349922 /nfs/dbraw/zinc/34/99/22/346349922.db2.gz LTNYGCMSCAVAMQ-GXSJLCMTSA-N 1 0 209.289 2.094 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(C)oc1C ZINC000289763534 346350011 /nfs/dbraw/zinc/35/00/11/346350011.db2.gz LTNYGCMSCAVAMQ-KOLCDFICSA-N 1 0 209.289 2.094 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000161645524 346354242 /nfs/dbraw/zinc/35/42/42/346354242.db2.gz SCHNIHDPSLUTMY-NXEZZACHSA-N 1 0 207.321 2.344 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1ccsc1 ZINC000295066157 346354900 /nfs/dbraw/zinc/35/49/00/346354900.db2.gz ROFZESZXFZWCAW-GFCCVEGCSA-N 1 0 236.384 2.354 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC000295066383 346354981 /nfs/dbraw/zinc/35/49/81/346354981.db2.gz RPTFQYURIOPUDC-ZDUSSCGKSA-N 1 0 248.345 2.431 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000641768003 362698122 /nfs/dbraw/zinc/69/81/22/362698122.db2.gz TYOVNLBAOLVGKA-BPLDGKMQSA-N 1 0 235.371 2.343 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CC#CC)C1 ZINC000641766717 362699279 /nfs/dbraw/zinc/69/92/79/362699279.db2.gz AVTRJLDUWKHMIQ-HZSPNIEDSA-N 1 0 221.344 2.095 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cscc1Cl ZINC000641767134 362701104 /nfs/dbraw/zinc/70/11/04/362701104.db2.gz HIODYPKRVJECSZ-SNVBAGLBSA-N 1 0 243.759 2.265 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000641767436 362701123 /nfs/dbraw/zinc/70/11/23/362701123.db2.gz KXVIJRBGUUDHHW-CYBMUJFWSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000641767215 362701160 /nfs/dbraw/zinc/70/11/60/362701160.db2.gz HNVXGLMEKAMKSH-MELADBBJSA-N 1 0 223.360 2.177 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636235089 346363917 /nfs/dbraw/zinc/36/39/17/346363917.db2.gz AEOHUYSOMOSRSH-MCIONIFRSA-N 1 0 248.370 2.038 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000641767771 362702729 /nfs/dbraw/zinc/70/27/29/362702729.db2.gz QSFAJCRYTDCMLC-STQMWFEESA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000641768320 362705524 /nfs/dbraw/zinc/70/55/24/362705524.db2.gz ZHIQQTGDPKFFET-INIZCTEOSA-N 1 0 243.350 2.428 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)C1CCSCC1 ZINC000192719967 365809646 /nfs/dbraw/zinc/80/96/46/365809646.db2.gz PVHHIKHQVYLLBQ-UWVGGRQHSA-N 1 0 212.362 2.267 20 30 BEEDRO CCC[C@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000601140068 346344420 /nfs/dbraw/zinc/34/44/20/346344420.db2.gz QPYGQLYIVUSSLQ-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000289801001 346373216 /nfs/dbraw/zinc/37/32/16/346373216.db2.gz KXZZHVHMBBMTPV-AWEZNQCLSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000289844258 346391246 /nfs/dbraw/zinc/39/12/46/346391246.db2.gz PZPCXQDMABYWBZ-SGMGOOAPSA-N 1 0 219.328 2.315 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282276325 346391879 /nfs/dbraw/zinc/39/18/79/346391879.db2.gz ROENULIAEQSWNE-LLVKDONJSA-N 1 0 239.388 2.298 20 30 BEEDRO C=Cn1cc(C[NH2+]Cc2cccc(C#N)c2)cn1 ZINC000194349571 187369213 /nfs/dbraw/zinc/36/92/13/187369213.db2.gz UFTJMGHUTRJGFA-UHFFFAOYSA-N 1 0 238.294 2.145 20 30 BEEDRO C=C(C)CC[NH2+]C1CCN(CC(F)F)CC1 ZINC000449470589 201935052 /nfs/dbraw/zinc/93/50/52/201935052.db2.gz BBUIWUOCRIQFOI-UHFFFAOYSA-N 1 0 232.318 2.272 20 30 BEEDRO COc1ccc([C@H](CCO)[NH2+]CCCC#N)cc1 ZINC000182411335 347095167 /nfs/dbraw/zinc/09/51/67/347095167.db2.gz KLOCZJIESLLIJA-AWEZNQCLSA-N 1 0 248.326 2.012 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000449478935 201936733 /nfs/dbraw/zinc/93/67/33/201936733.db2.gz SYIRSLLYXVHIMV-UHFFFAOYSA-N 1 0 244.342 2.402 20 30 BEEDRO C=C[C@H](CC(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000580079122 346512578 /nfs/dbraw/zinc/51/25/78/346512578.db2.gz SYSNKJFVSYICKE-CHWSQXEVSA-N 1 0 246.354 2.152 20 30 BEEDRO N#CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000309524330 347095204 /nfs/dbraw/zinc/09/52/04/347095204.db2.gz AOIIBGIAWFXIQA-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000186704893 346533633 /nfs/dbraw/zinc/53/36/33/346533633.db2.gz OSAYLFABQWDLKY-JSGCOSHPSA-N 1 0 249.354 2.153 20 30 BEEDRO CC[N@@H+]1CCCN(Cc2ccccc2C#N)CC1 ZINC000264243480 346575947 /nfs/dbraw/zinc/57/59/47/346575947.db2.gz CAHVZZZVJRXITG-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000580641168 365839986 /nfs/dbraw/zinc/83/99/86/365839986.db2.gz MRFCSCGUKRKVEB-GFCCVEGCSA-N 1 0 247.317 2.155 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCCC1CCOCC1 ZINC000580641431 365840103 /nfs/dbraw/zinc/84/01/03/365840103.db2.gz REFMFMHXNWJIBW-CQSZACIVSA-N 1 0 249.358 2.226 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCF)CC2 ZINC000381871351 346660498 /nfs/dbraw/zinc/66/04/98/346660498.db2.gz YWFRTMIAVAROQS-ZDUSSCGKSA-N 1 0 218.275 2.495 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCF)CC2 ZINC000381871346 346660556 /nfs/dbraw/zinc/66/05/56/346660556.db2.gz YWFRTMIAVAROQS-CYBMUJFWSA-N 1 0 218.275 2.495 20 30 BEEDRO C=CCCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000588099637 346633231 /nfs/dbraw/zinc/63/32/31/346633231.db2.gz LHHBNYLZLINSEQ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577167380 365849259 /nfs/dbraw/zinc/84/92/59/365849259.db2.gz DBJCPBZQEQKGTN-LLVKDONJSA-N 1 0 215.300 2.328 20 30 BEEDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000589350739 346693669 /nfs/dbraw/zinc/69/36/69/346693669.db2.gz MSMDZAXQPCJCRU-MGPQQGTHSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cccc(O)c1 ZINC000181576176 346756122 /nfs/dbraw/zinc/75/61/22/346756122.db2.gz YUMLDCSWUNAMDA-JTQLQIEISA-N 1 0 204.273 2.347 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)[C@H]1CC[C@@H](C#N)C1 ZINC000590154165 346781037 /nfs/dbraw/zinc/78/10/37/346781037.db2.gz KNXXRYBFBUQRQR-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000589822289 346739516 /nfs/dbraw/zinc/73/95/16/346739516.db2.gz NJKSBAOTUZHYPI-VHSXEESVSA-N 1 0 236.290 2.210 20 30 BEEDRO N#CCCOCC[NH+]1C2CCCC1CCC2 ZINC000590161372 346784605 /nfs/dbraw/zinc/78/46/05/346784605.db2.gz BVGCQYFBCDKIAN-UHFFFAOYSA-N 1 0 222.332 2.324 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590173416 346788087 /nfs/dbraw/zinc/78/80/87/346788087.db2.gz MIAZNRMUAZYNLG-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000387897348 347121999 /nfs/dbraw/zinc/12/19/99/347121999.db2.gz ZIEMIXWCJULCNW-NEPJUHHUSA-N 1 0 217.316 2.032 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2C ZINC000309720988 347148535 /nfs/dbraw/zinc/14/85/35/347148535.db2.gz VZJZUYKKGGXTOF-FZMZJTMJSA-N 1 0 217.312 2.119 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(C)c1 ZINC000309724125 347149020 /nfs/dbraw/zinc/14/90/20/347149020.db2.gz XDTHYNHEXHOQSG-CQSZACIVSA-N 1 0 219.328 2.269 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000309732341 347151148 /nfs/dbraw/zinc/15/11/48/347151148.db2.gz FNYXPBHHGPEDFP-HIFPTAJRSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000601269810 347130161 /nfs/dbraw/zinc/13/01/61/347130161.db2.gz LSIZVRDBCVEEAF-ZBOXLXRLSA-N 1 0 225.332 2.272 20 30 BEEDRO CC(C)CC[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601314808 347196058 /nfs/dbraw/zinc/19/60/58/347196058.db2.gz RMESJKNRZUHFFR-CQSZACIVSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)c1ccc(CC)cc1 ZINC000309911111 347197669 /nfs/dbraw/zinc/19/76/69/347197669.db2.gz MRXVLXVCNWDUAU-AWEZNQCLSA-N 1 0 219.328 2.448 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1c(F)cccc1F ZINC000185456071 347201124 /nfs/dbraw/zinc/20/11/24/347201124.db2.gz SOXISWXGTTXYHY-UHFFFAOYSA-N 1 0 228.242 2.410 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000601321286 347201239 /nfs/dbraw/zinc/20/12/39/347201239.db2.gz OCZSRFYWJQFWFD-FRRDWIJNSA-N 1 0 244.342 2.390 20 30 BEEDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000309975429 347209107 /nfs/dbraw/zinc/20/91/07/347209107.db2.gz SJBFRGDEYDLGQM-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185712948 347210827 /nfs/dbraw/zinc/21/08/27/347210827.db2.gz OHZBKBTXCMHYMY-TZMCWYRMSA-N 1 0 246.358 2.025 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](C)O1 ZINC000601298068 347174182 /nfs/dbraw/zinc/17/41/82/347174182.db2.gz DADHDMKXWVPLRZ-MLGHIDQZSA-N 1 0 222.332 2.224 20 30 BEEDRO CC#CCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000184969445 347186424 /nfs/dbraw/zinc/18/64/24/347186424.db2.gz ZURIZBOXHHUGOD-CYBMUJFWSA-N 1 0 245.322 2.172 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)nc1 ZINC000309855352 347188632 /nfs/dbraw/zinc/18/86/32/347188632.db2.gz KEMVYPJXGPSVLF-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO CCCCOCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310013604 347217064 /nfs/dbraw/zinc/21/70/64/347217064.db2.gz JVNJOZYDSUVDBC-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[NH+]1CCN([C@@H](C)c2cccc(C#N)c2)CC1 ZINC000186289248 347231011 /nfs/dbraw/zinc/23/10/11/347231011.db2.gz GMGLALIGXONDOO-ZDUSSCGKSA-N 1 0 243.354 2.257 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000571276318 323140152 /nfs/dbraw/zinc/14/01/52/323140152.db2.gz CGJUAYQQGZKSJS-LOWDOPEQSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[NH2+]Cc1nccn1CC(F)(F)F ZINC000119651467 347298793 /nfs/dbraw/zinc/29/87/93/347298793.db2.gz RTZQCJDCQAJBNE-UHFFFAOYSA-N 1 0 233.237 2.111 20 30 BEEDRO C#CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000364066339 347254472 /nfs/dbraw/zinc/25/44/72/347254472.db2.gz OJGGVQQBWRKKQU-HUUCEWRRSA-N 1 0 234.387 2.206 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000364129201 347275560 /nfs/dbraw/zinc/27/55/60/347275560.db2.gz RZAALOTXIVZCCS-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@H](COC)C1 ZINC000364129202 347275708 /nfs/dbraw/zinc/27/57/08/347275708.db2.gz RZAALOTXIVZCCS-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO CO[C@H](C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000189388912 347302217 /nfs/dbraw/zinc/30/22/17/347302217.db2.gz UMWVUIPNOGZVJD-LLVKDONJSA-N 1 0 235.331 2.065 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@H](C)OC)c1 ZINC000189388540 347302354 /nfs/dbraw/zinc/30/23/54/347302354.db2.gz CXIYTAVKKXVRPE-JTQLQIEISA-N 1 0 235.331 2.011 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC2(CCC2)O1 ZINC000581486906 347320333 /nfs/dbraw/zinc/32/03/33/347320333.db2.gz IQNXODAKOLQOKB-UPJWGTAASA-N 1 0 234.343 2.322 20 30 BEEDRO CCC(C)(C)CNC(=[NH2+])NCC1CCC1 ZINC000190534351 133665247 /nfs/dbraw/zinc/66/52/47/133665247.db2.gz VATSBKVYESXIQG-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000449487079 201941217 /nfs/dbraw/zinc/94/12/17/201941217.db2.gz WOVRKBMMPDOREH-UHFFFAOYSA-N 1 0 236.315 2.103 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000320416619 136749024 /nfs/dbraw/zinc/74/90/24/136749024.db2.gz RPBRUIWCADMDJV-QWHCGFSZSA-N 1 0 247.338 2.079 20 30 BEEDRO CC1(C)CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000063067187 347414840 /nfs/dbraw/zinc/41/48/40/347414840.db2.gz ZCXPSXBZNIJNSY-AWEZNQCLSA-N 1 0 244.338 2.466 20 30 BEEDRO COc1ncccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192651919 347381977 /nfs/dbraw/zinc/38/19/77/347381977.db2.gz QSQIRBZAWGRALN-YPMHNXCESA-N 1 0 245.326 2.262 20 30 BEEDRO COC[C@H](C)C[NH2+]CC1CCC(C#N)CC1 ZINC000390538088 347384543 /nfs/dbraw/zinc/38/45/43/347384543.db2.gz KRKVTZIJQMSTTE-PNESKVBLSA-N 1 0 224.348 2.188 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCCCCO)c1 ZINC000193019934 347388696 /nfs/dbraw/zinc/38/86/96/347388696.db2.gz BILJCBZSKCEYSA-UHFFFAOYSA-N 1 0 249.358 2.138 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193262145 347395036 /nfs/dbraw/zinc/39/50/36/347395036.db2.gz NECJSIHZXCAXLD-TVYUQYBPSA-N 1 0 249.333 2.384 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnc(C)s1 ZINC000120810814 347417985 /nfs/dbraw/zinc/41/79/85/347417985.db2.gz DGTBIDZUIJVJQD-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000590653271 347483460 /nfs/dbraw/zinc/48/34/60/347483460.db2.gz FWGSNMLFOFFEPT-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000590646739 347484766 /nfs/dbraw/zinc/48/47/66/347484766.db2.gz BDHNGIRZLLBGAP-BETUJISGSA-N 1 0 238.375 2.457 20 30 BEEDRO COCC[N@H+](CCC#N)CC12CCC(CC1)C2 ZINC000590698200 347492598 /nfs/dbraw/zinc/49/25/98/347492598.db2.gz OTUIJKFCEYIFDF-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CCC[NH+]1CCC(N(C)CCCC#N)CC1 ZINC000109787609 347465350 /nfs/dbraw/zinc/46/53/50/347465350.db2.gz QKNLHDVZYYOSEF-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(C(=O)OC)o2)CC1 ZINC000111258796 347473103 /nfs/dbraw/zinc/47/31/03/347473103.db2.gz ZBVATUYZKFDPLJ-UHFFFAOYSA-N 1 0 249.310 2.464 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000590592936 347477887 /nfs/dbraw/zinc/47/78/87/347477887.db2.gz CZOWKXQCROGISI-OLZOCXBDSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCOC1 ZINC000590592935 347478176 /nfs/dbraw/zinc/47/81/76/347478176.db2.gz CZOWKXQCROGISI-CHWSQXEVSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(C)CCOCC1 ZINC000590594072 347478569 /nfs/dbraw/zinc/47/85/69/347478569.db2.gz LXUHOVLVBCCYGR-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCO[C@H](C2CC2)C1 ZINC000590594894 347478676 /nfs/dbraw/zinc/47/86/76/347478676.db2.gz JXOITSHMZTUCQO-BNOWGMLFSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](N)[C@H](c2ccccc2)C1 ZINC000302323706 347516782 /nfs/dbraw/zinc/51/67/82/347516782.db2.gz FFSDORSFURIWCT-GJZGRUSLSA-N 1 0 230.355 2.379 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972299 347598385 /nfs/dbraw/zinc/59/83/85/347598385.db2.gz FTRWROWSYILIDA-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000591357610 347644477 /nfs/dbraw/zinc/64/44/77/347644477.db2.gz BZAHDELWFKKQDV-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000577261257 365905645 /nfs/dbraw/zinc/90/56/45/365905645.db2.gz PHXIVNNMCOQFJB-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000591375667 347650487 /nfs/dbraw/zinc/65/04/87/347650487.db2.gz QCPNUZVEIXKSNZ-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591013255 347606296 /nfs/dbraw/zinc/60/62/96/347606296.db2.gz OPEIRYYNMPJLLG-STQMWFEESA-N 1 0 232.331 2.212 20 30 BEEDRO N#CCCN[C@H](Cn1cccn1)c1ccccc1 ZINC000591018849 347607426 /nfs/dbraw/zinc/60/74/26/347607426.db2.gz SFDYVKLYTQSMSA-CQSZACIVSA-N 1 0 240.310 2.128 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000590166125 347608994 /nfs/dbraw/zinc/60/89/94/347608994.db2.gz QEAQLEVQPIWNSP-MGPQQGTHSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000591026554 347610890 /nfs/dbraw/zinc/61/08/90/347610890.db2.gz PUFBRBCCWBUNHQ-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570985 347675857 /nfs/dbraw/zinc/67/58/57/347675857.db2.gz PRZDRGOBEHITAW-JMSVASOKSA-N 1 0 243.354 2.349 20 30 BEEDRO CC[C@@H](NCC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000591577261 347676944 /nfs/dbraw/zinc/67/69/44/347676944.db2.gz JZJMHIOWVNLQRC-OAHLLOKOSA-N 1 0 243.354 2.351 20 30 BEEDRO CC[C@H]([NH3+])CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591579960 347677768 /nfs/dbraw/zinc/67/77/68/347677768.db2.gz BMHZGNNVFBQKAS-DZGCQCFKSA-N 1 0 243.354 2.263 20 30 BEEDRO N#CC1(c2nc(C3([NH3+])CCCCC3)no2)CCC1 ZINC000591664230 347683951 /nfs/dbraw/zinc/68/39/51/347683951.db2.gz VRTNXUPECBPOJX-UHFFFAOYSA-N 1 0 246.314 2.133 20 30 BEEDRO CCC1(O)CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000591758307 347691847 /nfs/dbraw/zinc/69/18/47/347691847.db2.gz XEZBWAQRSBSPHK-IYXRBSQSSA-N 1 0 249.358 2.103 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000591761316 347692658 /nfs/dbraw/zinc/69/26/58/347692658.db2.gz LWJJXPQASWQLHB-DKNRTOFZSA-N 1 0 236.359 2.209 20 30 BEEDRO COc1ccc2[nH]cc(CC[NH2+]CCC#N)c2c1 ZINC000591739658 347694644 /nfs/dbraw/zinc/69/46/44/347694644.db2.gz PRECATBSEVZEFD-UHFFFAOYSA-N 1 0 243.310 2.222 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000591741413 347694662 /nfs/dbraw/zinc/69/46/62/347694662.db2.gz CUONZOUPJKMBTI-LBPRGKRZSA-N 1 0 214.312 2.295 20 30 BEEDRO C=CCC[NH2+][C@H](CCO)c1ccccc1 ZINC000271613064 166267479 /nfs/dbraw/zinc/26/74/79/166267479.db2.gz BYPRZMVRDQQUJM-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO Cc1ccccc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189587817 179283481 /nfs/dbraw/zinc/28/34/81/179283481.db2.gz QUSRJRRZJWTXKZ-UHFFFAOYSA-N 1 0 239.322 2.495 20 30 BEEDRO COCC1(CC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000592372702 347771080 /nfs/dbraw/zinc/77/10/80/347771080.db2.gz KGFJHIXUXOAZNO-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO Cc1cn[nH]c1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000592371090 347771236 /nfs/dbraw/zinc/77/12/36/347771236.db2.gz DUYAQRXPMIICTI-UHFFFAOYSA-N 1 0 240.310 2.074 20 30 BEEDRO N#Cc1csc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000592356824 347772821 /nfs/dbraw/zinc/77/28/21/347772821.db2.gz DPUQIKKDTUJYOT-QMMMGPOBSA-N 1 0 246.295 2.094 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CO1 ZINC000592366083 347774884 /nfs/dbraw/zinc/77/48/84/347774884.db2.gz RUENAJMYLVHYDD-SMDDNHRTSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccncc1C#N ZINC000592075313 347729440 /nfs/dbraw/zinc/72/94/40/347729440.db2.gz VJINVKWQZHAQHG-QWRGUYRKSA-N 1 0 215.300 2.326 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000592088811 347730622 /nfs/dbraw/zinc/73/06/22/347730622.db2.gz MKIMSQFHSNNCDF-CYBMUJFWSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592149990 347741105 /nfs/dbraw/zinc/74/11/05/347741105.db2.gz BBVMMSSXJYBRSS-HIFRSBDPSA-N 1 0 244.338 2.141 20 30 BEEDRO C[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592151025 347742629 /nfs/dbraw/zinc/74/26/29/347742629.db2.gz JGOGLYLUCPHZBO-RDBSUJKOSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](CC2CCCCCC2)C1 ZINC000592151069 347742754 /nfs/dbraw/zinc/74/27/54/347742754.db2.gz KCWAGBKBVCWHRM-CQSZACIVSA-N 1 0 236.359 2.307 20 30 BEEDRO C[NH2+]CCS[C@H](C#N)Cc1ccc(C)cc1 ZINC000592177432 347758910 /nfs/dbraw/zinc/75/89/10/347758910.db2.gz RBJMHBYXRLNGCE-ZDUSSCGKSA-N 1 0 234.368 2.382 20 30 BEEDRO C[N@H+](Cc1ccncc1C#N)C(C)(C)C ZINC000592180041 347759010 /nfs/dbraw/zinc/75/90/10/347759010.db2.gz GIRQAAAEDCIVAD-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO CC(C)[C@H]([NH2+]CC1(C#N)CC1)C1(CO)CC=CC1 ZINC000592176252 347759195 /nfs/dbraw/zinc/75/91/95/347759195.db2.gz HVKBIBOPQYQCRT-ZDUSSCGKSA-N 1 0 248.370 2.233 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCc1ccc(C)nc1 ZINC000449521180 201952052 /nfs/dbraw/zinc/95/20/52/201952052.db2.gz RBJZOFIFZLPMSF-CABCVRRESA-N 1 0 246.354 2.256 20 30 BEEDRO CCn1nccc1C[NH+]1CCC(CCC#N)CC1 ZINC000592517259 347793666 /nfs/dbraw/zinc/79/36/66/347793666.db2.gz OCFRTBCGIXIESM-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679677030 488363845 /nfs/dbraw/zinc/36/38/45/488363845.db2.gz VDFNADKFULLSQR-VIFPVBQESA-N 1 0 205.248 2.266 20 30 BEEDRO N#Cc1cc(C[NH2+]C2(C3CCC3)CC2)ccn1 ZINC000593080520 347850748 /nfs/dbraw/zinc/85/07/48/347850748.db2.gz IYOJNOIMSICGBE-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC([C@H](C)CO)CC1 ZINC000593080751 347850896 /nfs/dbraw/zinc/85/08/96/347850896.db2.gz DDJBYFYJHLPUAF-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)C2(CCC2)CO1 ZINC000593094312 347853785 /nfs/dbraw/zinc/85/37/85/347853785.db2.gz ZRWIRLOQMPLLAS-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO CCC([NH3+])(CC)CNCc1cccc(C#N)c1 ZINC000592986156 347836754 /nfs/dbraw/zinc/83/67/54/347836754.db2.gz VOOROIWOGYPDPF-UHFFFAOYSA-N 1 0 231.343 2.165 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000593128276 347864779 /nfs/dbraw/zinc/86/47/79/347864779.db2.gz CYIFCRYUIRCLBC-QWHCGFSZSA-N 1 0 237.343 2.084 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000593118320 347862459 /nfs/dbraw/zinc/86/24/59/347862459.db2.gz QEJYUUSUTPVRFW-MXWKQRLJSA-N 1 0 226.270 2.410 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118437 347862567 /nfs/dbraw/zinc/86/25/67/347862567.db2.gz REAKSXDCEHMUSN-NXEZZACHSA-N 1 0 214.259 2.410 20 30 BEEDRO CC[C@H](C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000593402828 347884258 /nfs/dbraw/zinc/88/42/58/347884258.db2.gz DEMRFXJQDWTWMN-GFCCVEGCSA-N 1 0 245.326 2.236 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCSCCCO)C1 ZINC000593594837 347914815 /nfs/dbraw/zinc/91/48/15/347914815.db2.gz FBMDQMDGBRQFCU-CHWSQXEVSA-N 1 0 243.416 2.436 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C(=O)OC)CC2)C1 ZINC000593616475 347915907 /nfs/dbraw/zinc/91/59/07/347915907.db2.gz LNOPLJSJRVGCQG-RYUDHWBXSA-N 1 0 237.343 2.274 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)CSC)C1 ZINC000593603207 347919089 /nfs/dbraw/zinc/91/90/89/347919089.db2.gz SOOPELAKQAPNLO-UPJWGTAASA-N 1 0 243.416 2.435 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593654485 347922345 /nfs/dbraw/zinc/92/23/45/347922345.db2.gz DGXHUHZLPPAMJS-VXGBXAGGSA-N 1 0 217.316 2.352 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000593667084 347924358 /nfs/dbraw/zinc/92/43/58/347924358.db2.gz SSDBJOQFMXIJJW-UGFHNGPFSA-N 1 0 248.370 2.473 20 30 BEEDRO CC(C)(CN1CCCC1)[NH2+]CC1(CC#N)CC1 ZINC000308634068 347943968 /nfs/dbraw/zinc/94/39/68/347943968.db2.gz KTPGYPBDCAJKKO-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)CCC(C)C ZINC000594006904 347984247 /nfs/dbraw/zinc/98/42/47/347984247.db2.gz ZBVHUKJRTFKKJW-NWDGAFQWSA-N 1 0 212.337 2.065 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOc1ccc(F)cc1 ZINC000594011854 347985427 /nfs/dbraw/zinc/98/54/27/347985427.db2.gz ZOGZRZWZNFYUNO-LBPRGKRZSA-N 1 0 236.290 2.486 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000253092149 347993615 /nfs/dbraw/zinc/99/36/15/347993615.db2.gz KNUYGVUPKLHKPM-MCIONIFRSA-N 1 0 248.370 2.306 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)[C@@H]1CCCCO1 ZINC000594040035 347994799 /nfs/dbraw/zinc/99/47/99/347994799.db2.gz CQKCONFEIFPZJI-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO Cc1cc(C#N)cc(NC(C)(C)C[NH+](C)C)n1 ZINC000308659569 347996585 /nfs/dbraw/zinc/99/65/85/347996585.db2.gz SJBFSPCLMKVQMI-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@H](O)CC)C1CC1 ZINC000121702518 349978256 /nfs/dbraw/zinc/97/82/56/349978256.db2.gz QQUJXHGSSAPIKD-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO COCC1(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000594516482 348068783 /nfs/dbraw/zinc/06/87/83/348068783.db2.gz WKXUJWJLXVBFGA-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594525772 348069973 /nfs/dbraw/zinc/06/99/73/348069973.db2.gz VHRJHRADHRQWMG-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO COc1c(C)ncnc1N[C@H]1CC[C@@H](CC#N)C1 ZINC000594583374 348077040 /nfs/dbraw/zinc/07/70/40/348077040.db2.gz JZOUCSYYNXELLT-QWRGUYRKSA-N 1 0 246.314 2.288 20 30 BEEDRO N#CCCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000594425163 348051170 /nfs/dbraw/zinc/05/11/70/348051170.db2.gz KGQQMTAGQMUBHP-UHFFFAOYSA-N 1 0 231.299 2.168 20 30 BEEDRO CCCCN(CC)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426568 348052264 /nfs/dbraw/zinc/05/22/64/348052264.db2.gz PAASGPQZXSDXGD-LBPRGKRZSA-N 1 0 239.363 2.046 20 30 BEEDRO COC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000594717155 348106175 /nfs/dbraw/zinc/10/61/75/348106175.db2.gz HUFDDOFGWINIID-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO COCC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000594717470 348106858 /nfs/dbraw/zinc/10/68/58/348106858.db2.gz MGYCZDKOMWSJQW-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718815 348107090 /nfs/dbraw/zinc/10/70/90/348107090.db2.gz VBZHAENERWZPJA-CQSZACIVSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@]1(CC[NH2+]C[C@H](C#N)CCC#N)CC1(F)F ZINC000594726497 348108512 /nfs/dbraw/zinc/10/85/12/348108512.db2.gz MBUPBMLWHCSMNF-QWRGUYRKSA-N 1 0 241.285 2.455 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000038221106 348112377 /nfs/dbraw/zinc/11/23/77/348112377.db2.gz XENJVEVTGLRGQO-LBPRGKRZSA-N 1 0 205.301 2.055 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]CC(C)(C)C#N)CS1 ZINC000594611647 348082605 /nfs/dbraw/zinc/08/26/05/348082605.db2.gz JILKYPJUFUEHFL-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO CC(C)[C@H]([NH3+])c1cn(CC2(C#N)CCCC2)nn1 ZINC000594656652 348092465 /nfs/dbraw/zinc/09/24/65/348092465.db2.gz YFZDDWINVJAWLE-LBPRGKRZSA-N 1 0 247.346 2.018 20 30 BEEDRO CC[C@@H]([NH3+])c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658722 348093221 /nfs/dbraw/zinc/09/32/21/348093221.db2.gz ZDFOXVBDVQHKGL-LLVKDONJSA-N 1 0 247.346 2.162 20 30 BEEDRO N#CC1(c2ccc(C[NH2+]CCCCO)cc2)CC1 ZINC000594936496 348141992 /nfs/dbraw/zinc/14/19/92/348141992.db2.gz DKNUCOJQBRLJIH-UHFFFAOYSA-N 1 0 244.338 2.104 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594938936 348142501 /nfs/dbraw/zinc/14/25/01/348142501.db2.gz XQDGWHCKVRNVFE-KXNHARMFSA-N 1 0 225.332 2.128 20 30 BEEDRO CO[C@@H](C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940917 348143180 /nfs/dbraw/zinc/14/31/80/348143180.db2.gz VQEYJYDVLDRPSB-LBPRGKRZSA-N 1 0 244.338 2.366 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594943685 348144311 /nfs/dbraw/zinc/14/43/11/348144311.db2.gz FSVGTVZWHLCXHP-GRYCIOLGSA-N 1 0 225.332 2.130 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000594951554 348147700 /nfs/dbraw/zinc/14/77/00/348147700.db2.gz VGVATCWPBYNEQA-GJZGRUSLSA-N 1 0 244.338 2.410 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000594951555 348148031 /nfs/dbraw/zinc/14/80/31/348148031.db2.gz VGVATCWPBYNEQA-HUUCEWRRSA-N 1 0 244.338 2.410 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000594954724 348148339 /nfs/dbraw/zinc/14/83/39/348148339.db2.gz MHWDXOOFCZSZCO-UHFFFAOYSA-N 1 0 246.358 2.249 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)o1 ZINC000594953486 348148381 /nfs/dbraw/zinc/14/83/81/348148381.db2.gz TUQIERKWOKQCKT-CABZTGNLSA-N 1 0 202.257 2.183 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CCO1 ZINC000594956084 348148909 /nfs/dbraw/zinc/14/89/09/348148909.db2.gz TYQNJFKRACYXEJ-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(C#N)o1 ZINC000594956513 348149787 /nfs/dbraw/zinc/14/97/87/348149787.db2.gz KVIYGVHWHWGSSP-LBPRGKRZSA-N 1 0 248.326 2.446 20 30 BEEDRO C=CCCSCC[NH2+]Cc1nccn1CC ZINC000594960457 348150882 /nfs/dbraw/zinc/15/08/82/348150882.db2.gz QOJIRKRKKOPVAA-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594916528 348152869 /nfs/dbraw/zinc/15/28/69/348152869.db2.gz FHDVDDYTUFJFOL-UHFFFAOYSA-N 1 0 200.285 2.351 20 30 BEEDRO C=CCSCC[NH2+]Cc1nccn1C(C)C ZINC000594919977 348154673 /nfs/dbraw/zinc/15/46/73/348154673.db2.gz LMNVURYOBSWGPW-UHFFFAOYSA-N 1 0 239.388 2.473 20 30 BEEDRO Cn1ncc(C2CCC2)c1C[NH2+]CCCCC#N ZINC000594923524 348156379 /nfs/dbraw/zinc/15/63/79/348156379.db2.gz YUNMFCWXHVBADL-UHFFFAOYSA-N 1 0 246.358 2.471 20 30 BEEDRO CC(C)([NH2+]Cc1cn[nH]c1)c1cccc(C#N)c1 ZINC000594968619 348161344 /nfs/dbraw/zinc/16/13/44/348161344.db2.gz KQGZTVUUBSQTPE-UHFFFAOYSA-N 1 0 240.310 2.306 20 30 BEEDRO CC(C)(F)CC[NH2+]Cc1ccc(C#N)o1 ZINC000594972531 348162160 /nfs/dbraw/zinc/16/21/60/348162160.db2.gz IJICUQHIHVMFSS-UHFFFAOYSA-N 1 0 210.252 2.379 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCO[C@H]1CC1(F)F ZINC000594970077 348162171 /nfs/dbraw/zinc/16/21/71/348162171.db2.gz CJRRDPTXUSKGEA-JTQLQIEISA-N 1 0 246.301 2.330 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)s1 ZINC000594989027 348167095 /nfs/dbraw/zinc/16/70/95/348167095.db2.gz UAEZWYCWGTYPGU-NEPJUHHUSA-N 1 0 248.351 2.013 20 30 BEEDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000594993506 348167997 /nfs/dbraw/zinc/16/79/97/348167997.db2.gz ATRYRLSBILNEDT-JTQLQIEISA-N 1 0 234.299 2.056 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCc2ccco2)n1 ZINC000594998734 348168674 /nfs/dbraw/zinc/16/86/74/348168674.db2.gz ZTMCOOWNIIWGES-UHFFFAOYSA-N 1 0 247.323 2.330 20 30 BEEDRO CC1(C)C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595292244 348213948 /nfs/dbraw/zinc/21/39/48/348213948.db2.gz XHHQGYGSXCCJHR-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[NH+](C)C1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595298547 348216764 /nfs/dbraw/zinc/21/67/64/348216764.db2.gz ROAROBDVICCGJX-HNNXBMFYSA-N 1 0 243.354 2.277 20 30 BEEDRO C[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595302120 348219521 /nfs/dbraw/zinc/21/95/21/348219521.db2.gz RTHJHYQZMNDMPC-GFCCVEGCSA-N 1 0 214.312 2.443 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000595049759 348180608 /nfs/dbraw/zinc/18/06/08/348180608.db2.gz OIWZXRYXZKXKCY-FRRDWIJNSA-N 1 0 229.327 2.467 20 30 BEEDRO COC1([C@H](C)[NH2+]CC(C)(C)CC#N)CCC1 ZINC000595053623 348181615 /nfs/dbraw/zinc/18/16/15/348181615.db2.gz WYXBFYGFSGQYAW-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000595059363 348183850 /nfs/dbraw/zinc/18/38/50/348183850.db2.gz MZONBMGQRGHION-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000595059109 348183948 /nfs/dbraw/zinc/18/39/48/348183948.db2.gz LDRMHVBBOYMHTD-LLVKDONJSA-N 1 0 239.388 2.380 20 30 BEEDRO C=CCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000595058709 348183964 /nfs/dbraw/zinc/18/39/64/348183964.db2.gz JQUJJGGDLDQMQP-SNVBAGLBSA-N 1 0 213.321 2.272 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000595059347 348183998 /nfs/dbraw/zinc/18/39/98/348183998.db2.gz MRVCZAALUZKYAK-VIFPVBQESA-N 1 0 223.272 2.293 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)COCC ZINC000595059874 348184384 /nfs/dbraw/zinc/18/43/84/348184384.db2.gz QSKLVTQDNMXXAF-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO C=CCCSCC[NH2+][C@H](COC)C1CC1 ZINC000595060161 348184515 /nfs/dbraw/zinc/18/45/15/348184515.db2.gz SSNLJISYPNBPJU-GFCCVEGCSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000595061064 348185404 /nfs/dbraw/zinc/18/54/04/348185404.db2.gz XXYNXQAMIFUGLT-RYUDHWBXSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCCn2nccc21 ZINC000595014024 348185979 /nfs/dbraw/zinc/18/59/79/348185979.db2.gz KZQRPGVJPYSWAR-LLVKDONJSA-N 1 0 237.372 2.227 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C\CO ZINC000595066134 348187218 /nfs/dbraw/zinc/18/72/18/348187218.db2.gz CLSWPRMHMBAPSV-OYADATRGSA-N 1 0 242.322 2.074 20 30 BEEDRO C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc(C#N)c1 ZINC000595070398 348188184 /nfs/dbraw/zinc/18/81/84/348188184.db2.gz UOMVPTPAPOOPDU-VXGBXAGGSA-N 1 0 244.338 2.370 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](CO)CC2CC2)C1 ZINC000595089407 348190290 /nfs/dbraw/zinc/19/02/90/348190290.db2.gz OHNAEYVGSVWGEX-MCIONIFRSA-N 1 0 236.359 2.067 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1(F)F ZINC000595081227 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C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000245619954 192116045 /nfs/dbraw/zinc/11/60/45/192116045.db2.gz NKOHFYJYBXXZAX-GXTWGEPZSA-N 1 0 248.370 2.038 20 30 BEEDRO C[C@H]1OCC[N@H+](CCc2ccc(C#N)cc2)[C@@H]1C ZINC000595346259 348235535 /nfs/dbraw/zinc/23/55/35/348235535.db2.gz TWNNOZYTCBFZPT-CHWSQXEVSA-N 1 0 244.338 2.210 20 30 BEEDRO COCC(C)(C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595511844 348266760 /nfs/dbraw/zinc/26/67/60/348266760.db2.gz RWESZAAQJVVZLU-UHFFFAOYSA-N 1 0 246.354 2.458 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000595623941 348292272 /nfs/dbraw/zinc/29/22/72/348292272.db2.gz ZFUAWIWKYOZQOH-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO COCCCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595552786 348269111 /nfs/dbraw/zinc/26/91/11/348269111.db2.gz QWEMWNGTNNYFPH-UHFFFAOYSA-N 1 0 246.354 2.459 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(C#N)cc1 ZINC000595530202 348272582 /nfs/dbraw/zinc/27/25/82/348272582.db2.gz OUGXWYFRGHELRU-AWEZNQCLSA-N 1 0 227.311 2.383 20 30 BEEDRO 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348389239 /nfs/dbraw/zinc/38/92/39/348389239.db2.gz CSTUTURRFIYQTI-UHFFFAOYSA-N 1 0 242.413 2.238 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)CCc1ccco1 ZINC000303549711 490165569 /nfs/dbraw/zinc/16/55/69/490165569.db2.gz GGEOVNLHJBUYQI-GFCCVEGCSA-N 1 0 223.316 2.393 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cn1)C[C@@H]1CC1(C)C ZINC000595908025 348397385 /nfs/dbraw/zinc/39/73/85/348397385.db2.gz DUNXKYKEWCQHSU-LBPRGKRZSA-N 1 0 229.327 2.431 20 30 BEEDRO CCSC1(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000596044213 348428507 /nfs/dbraw/zinc/42/85/07/348428507.db2.gz BWQCSWVZYWATRD-NSHDSACASA-N 1 0 237.372 2.305 20 30 BEEDRO CO[C@H](C[NH2+][C@H](C)CC#N)C1CCCCC1 ZINC000596045570 348428710 /nfs/dbraw/zinc/42/87/10/348428710.db2.gz FLOJOGVJDNRBRS-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO COCCCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000419387239 192130042 /nfs/dbraw/zinc/13/00/42/192130042.db2.gz NDARZJURLSLJRC-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ccc(C#N)nc1NCC1CC[NH+](C)CC1 ZINC000596107603 348440878 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ZINC000597122450 348663668 /nfs/dbraw/zinc/66/36/68/348663668.db2.gz YOVNCHVBNZDFHD-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)s1 ZINC000597153657 348665214 /nfs/dbraw/zinc/66/52/14/348665214.db2.gz LFAYGWSGUNCEBS-ZWNOBZJWSA-N 1 0 248.351 2.277 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000122965043 490185580 /nfs/dbraw/zinc/18/55/80/490185580.db2.gz DUQQAQACOAGOJN-IDKOKCKLSA-N 1 0 237.265 2.387 20 30 BEEDRO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](C)[C@H]1O ZINC000597206171 348678469 /nfs/dbraw/zinc/67/84/69/348678469.db2.gz RAMJWLKVXUHHJX-ITGUQSILSA-N 1 0 238.375 2.265 20 30 BEEDRO C=CCOCCC[NH2+]CC1(SC)CC1 ZINC000597208979 348679328 /nfs/dbraw/zinc/67/93/28/348679328.db2.gz HCMCUZLMBIFTPM-UHFFFAOYSA-N 1 0 215.362 2.064 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000597212595 348680661 /nfs/dbraw/zinc/68/06/61/348680661.db2.gz VUHFUDAINQQTMJ-OCCSQVGLSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000597185662 348683345 /nfs/dbraw/zinc/68/33/45/348683345.db2.gz ZXLCFFAORHDYHN-OUAUKWLOSA-N 1 0 215.362 2.061 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](C(=O)OC)C2)C1 ZINC000597242576 348686834 /nfs/dbraw/zinc/68/68/34/348686834.db2.gz CFINHUMVNGDCBQ-RVMXOQNASA-N 1 0 237.343 2.272 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597241849 348686867 /nfs/dbraw/zinc/68/68/67/348686867.db2.gz IGFOWHMZZIKKJD-DDHJBXDOSA-N 1 0 225.332 2.128 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000597225019 348695473 /nfs/dbraw/zinc/69/54/73/348695473.db2.gz LSESVRYCURMIBZ-MNOVXSKESA-N 1 0 234.299 2.151 20 30 BEEDRO COC1CC([NH2+]CC2(C#N)CCCCC2)C1 ZINC000597225579 348695512 /nfs/dbraw/zinc/69/55/12/348695512.db2.gz RNQAECUFZJJCCE-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCc2nccnc2C1 ZINC000597235956 348701243 /nfs/dbraw/zinc/70/12/43/348701243.db2.gz MWOOVWCKRDLUHN-UHFFFAOYSA-N 1 0 244.342 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349022342 /nfs/dbraw/zinc/02/23/42/349022342.db2.gz DOJUBLWQFFOWEH-LBPRGKRZSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCC1CC1 ZINC000598704100 349022391 /nfs/dbraw/zinc/02/23/91/349022391.db2.gz DKXMLBWDUXFSIG-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO Cc1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cc1 ZINC000598703241 349022427 /nfs/dbraw/zinc/02/24/27/349022427.db2.gz FBOWMMNHWADVBN-CQSZACIVSA-N 1 0 246.354 2.385 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cccs1 ZINC000598703098 349022467 /nfs/dbraw/zinc/02/24/67/349022467.db2.gz CESHWPUTHSVQAQ-SNVBAGLBSA-N 1 0 238.356 2.138 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCCCC1 ZINC000598703172 349022639 /nfs/dbraw/zinc/02/26/39/349022639.db2.gz DOJUBLWQFFOWEH-GFCCVEGCSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC1(C)CC1 ZINC000598722797 349028578 /nfs/dbraw/zinc/02/85/78/349028578.db2.gz BDCYRYDPMVRXRI-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(C)CCC1 ZINC000598723237 349028686 /nfs/dbraw/zinc/02/86/86/349028686.db2.gz FPLUIUAFFQHSFL-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725235 349029263 /nfs/dbraw/zinc/02/92/63/349029263.db2.gz WGEMQQBKPJMDIF-NWDGAFQWSA-N 1 0 224.348 2.231 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000598728954 349031232 /nfs/dbraw/zinc/03/12/32/349031232.db2.gz XRSYGVRHMABNLP-IJLUTSLNSA-N 1 0 248.326 2.026 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CC2(C1)CCCC2 ZINC000598700215 349033633 /nfs/dbraw/zinc/03/36/33/349033633.db2.gz AYUDBKHSHITJNK-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598700917 349034180 /nfs/dbraw/zinc/03/41/80/349034180.db2.gz RQFKWANZSNZAOA-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000598985799 349072285 /nfs/dbraw/zinc/07/22/85/349072285.db2.gz YTRORRCWWSDCAM-UTUOFQBUSA-N 1 0 239.359 2.376 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000598985798 349072511 /nfs/dbraw/zinc/07/25/11/349072511.db2.gz YTRORRCWWSDCAM-IJLUTSLNSA-N 1 0 239.359 2.376 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]CC2COC2)cc1 ZINC000599008842 349075231 /nfs/dbraw/zinc/07/52/31/349075231.db2.gz JBWXYLJPOSUWQL-UHFFFAOYSA-N 1 0 244.338 2.224 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000599018358 349083063 /nfs/dbraw/zinc/08/30/63/349083063.db2.gz WJGSHFNFGTUUST-BJHJDKERSA-N 1 0 248.301 2.212 20 30 BEEDRO CCC(CC)[NH2+]CCNc1nc(C)ccc1C#N ZINC000599098669 349093836 /nfs/dbraw/zinc/09/38/36/349093836.db2.gz XPQOZUMBXIARAL-UHFFFAOYSA-N 1 0 246.358 2.452 20 30 BEEDRO Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1C#N ZINC000599296277 349149883 /nfs/dbraw/zinc/14/98/83/349149883.db2.gz OYFLCSHYUSXIBX-CYBMUJFWSA-N 1 0 246.354 2.458 20 30 BEEDRO CCC[N@H+](CC(C)C)C[C@H](O)CC1(C#N)CC1 ZINC000599274517 349137845 /nfs/dbraw/zinc/13/78/45/349137845.db2.gz VNRNSIAPLNEXIP-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1C#N ZINC000599430936 349188701 /nfs/dbraw/zinc/18/87/01/349188701.db2.gz GOCHSMMHEWQBPJ-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599345402 349153487 /nfs/dbraw/zinc/15/34/87/349153487.db2.gz PYWNPXAPHUKJQC-GXTWGEPZSA-N 1 0 244.338 2.392 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599379092 349163299 /nfs/dbraw/zinc/16/32/99/349163299.db2.gz QDHUNTWLIKTYPN-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)cc1C#N ZINC000599378531 349163421 /nfs/dbraw/zinc/16/34/21/349163421.db2.gz OCVKKQROSDEZKA-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1C#N ZINC000599382448 349164142 /nfs/dbraw/zinc/16/41/42/349164142.db2.gz QYGXTWMVVIRSJA-DOMZBBRYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1C#N ZINC000599384635 349164196 /nfs/dbraw/zinc/16/41/96/349164196.db2.gz AOGQFEOLYHPJOM-DOMZBBRYSA-N 1 0 244.338 2.381 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C)c(C#N)c1 ZINC000599417825 349167989 /nfs/dbraw/zinc/16/79/89/349167989.db2.gz WSTBNOZRDQDDLE-CYBMUJFWSA-N 1 0 246.354 2.460 20 30 BEEDRO Cc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1C#N ZINC000599393477 349170371 /nfs/dbraw/zinc/17/03/71/349170371.db2.gz LOJOYEJUZRGBAT-AWEZNQCLSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000599526867 349208410 /nfs/dbraw/zinc/20/84/10/349208410.db2.gz VHZQMJWGQHPLQO-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599590739 349222226 /nfs/dbraw/zinc/22/22/26/349222226.db2.gz YHACOWQLPOAJMV-NWDGAFQWSA-N 1 0 239.359 2.472 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)CC1(C)COC1 ZINC000599572789 349224455 /nfs/dbraw/zinc/22/44/55/349224455.db2.gz BSUNCCRDRXMNGR-UHFFFAOYSA-N 1 0 230.311 2.027 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000599655299 349235136 /nfs/dbraw/zinc/23/51/36/349235136.db2.gz KVCXDXCHUNBRIL-OTVXOJSOSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)cc1C#N ZINC000599654164 349235693 /nfs/dbraw/zinc/23/56/93/349235693.db2.gz DGCYYRGYDYGUJF-OTVXOJSOSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCc2c(O)cccc2C1 ZINC000599646793 349240206 /nfs/dbraw/zinc/24/02/06/349240206.db2.gz LRHPYVCWGMDHIV-NSHDSACASA-N 1 0 230.311 2.443 20 30 BEEDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1C#N ZINC000599454051 349199967 /nfs/dbraw/zinc/19/99/67/349199967.db2.gz GBTBBTYXNJUDBF-LBPRGKRZSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CCC[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184715786 349296537 /nfs/dbraw/zinc/29/65/37/349296537.db2.gz QDBFFJFAMAMOEO-NSHDSACASA-N 1 0 209.289 2.441 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC000599646757 349240606 /nfs/dbraw/zinc/24/06/06/349240606.db2.gz LMSAMWHWSKRBAE-AAEUAGOBSA-N 1 0 242.322 2.443 20 30 BEEDRO C=CCSCC[NH2+]CC1(COC)CCC1 ZINC000308976507 349261689 /nfs/dbraw/zinc/26/16/89/349261689.db2.gz IRQIDTZGYHLLGW-UHFFFAOYSA-N 1 0 229.389 2.312 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000308993661 349268894 /nfs/dbraw/zinc/26/88/94/349268894.db2.gz IZIMTYKJCQGOHM-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CCC#N)C12CCCC2 ZINC000082945649 349348250 /nfs/dbraw/zinc/34/82/50/349348250.db2.gz PYSJBPBUBQIQIG-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000601965135 349404067 /nfs/dbraw/zinc/40/40/67/349404067.db2.gz VKBWWDLKGABSLL-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CC1(CC[N@@H+]2C[C@@H]3COC[C@@H]3C2)CCCCC1 ZINC000601972919 349409619 /nfs/dbraw/zinc/40/96/19/349409619.db2.gz JMJHEKDWCAUYEB-OKILXGFUSA-N 1 0 248.370 2.429 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185900514 349379621 /nfs/dbraw/zinc/37/96/21/349379621.db2.gz PCJJVCWALXSBOW-QJPTWQEYSA-N 1 0 205.305 2.351 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601978797 349413363 /nfs/dbraw/zinc/41/33/63/349413363.db2.gz ZXKJZXVDKBAAOY-UWVGGRQHSA-N 1 0 232.274 2.035 20 30 BEEDRO Cc1nc(NCC(C)(C)C[NH+](C)C)ccc1C#N ZINC000291697737 180015885 /nfs/dbraw/zinc/01/58/85/180015885.db2.gz UBGAIRDBMHKLOC-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)CC(=O)NC ZINC000132009381 191022206 /nfs/dbraw/zinc/02/22/06/191022206.db2.gz HFAZHXAIBBMTMY-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000154777753 166320029 /nfs/dbraw/zinc/32/00/29/166320029.db2.gz SQUOAMXCZMXTIU-UHFFFAOYSA-N 1 0 249.310 2.084 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)CCO)cc1 ZINC000151938340 191067033 /nfs/dbraw/zinc/06/70/33/191067033.db2.gz DIFGENXHFOAOFW-OLZOCXBDSA-N 1 0 247.338 2.120 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCO)cc1 ZINC000151938268 191067226 /nfs/dbraw/zinc/06/72/26/191067226.db2.gz DIFGENXHFOAOFW-STQMWFEESA-N 1 0 247.338 2.120 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000155440994 191081257 /nfs/dbraw/zinc/08/12/57/191081257.db2.gz OYVXRLYKQHWUPN-CYBMUJFWSA-N 1 0 238.375 2.244 20 30 BEEDRO CC#CCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000155954103 191083012 /nfs/dbraw/zinc/08/30/12/191083012.db2.gz RAVBQPBBNCVWQS-MRXNPFEDSA-N 1 0 243.350 2.382 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CCCC#N)C(C)(C)O1 ZINC000156838907 191088215 /nfs/dbraw/zinc/08/82/15/191088215.db2.gz CBZXAKIEOQJKKE-SNVBAGLBSA-N 1 0 210.321 2.226 20 30 BEEDRO CC(C)(C#N)CCC[NH+]1CCC(CO)CC1 ZINC000083642196 350265374 /nfs/dbraw/zinc/26/53/74/350265374.db2.gz DNNOJBNGXCQZAY-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000335097246 350272612 /nfs/dbraw/zinc/27/26/12/350272612.db2.gz BVSZBGDYJAYQHS-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000354062430 350277763 /nfs/dbraw/zinc/27/77/63/350277763.db2.gz AAVSZONHUSSOMS-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnn(CC(C)C)c1 ZINC000154775284 166323270 /nfs/dbraw/zinc/32/32/70/166323270.db2.gz XJOPHIXXYKUFBO-UHFFFAOYSA-N 1 0 207.321 2.157 20 30 BEEDRO CC[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CC1 ZINC000324251485 350293582 /nfs/dbraw/zinc/29/35/82/350293582.db2.gz BETDROPTGCLSTR-SNVBAGLBSA-N 1 0 221.329 2.293 20 30 BEEDRO C=CCCCC[NH2+]C1CCC(NC(C)=O)CC1 ZINC000427860363 191096247 /nfs/dbraw/zinc/09/62/47/191096247.db2.gz QGPWXGHMVPOWPW-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCC[C@H]1O ZINC000328203535 350393104 /nfs/dbraw/zinc/39/31/04/350393104.db2.gz SSFLCCJMLRWKNI-FRRDWIJNSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCCC[C@H]1O ZINC000328203536 350393130 /nfs/dbraw/zinc/39/31/30/350393130.db2.gz SSFLCCJMLRWKNI-JHJVBQTASA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCN(C(=O)[C@@H](CCC)[NH2+]C(C)C)C1CC1 ZINC000355589655 350398781 /nfs/dbraw/zinc/39/87/81/350398781.db2.gz VMLLPJKLJPBXNO-CYBMUJFWSA-N 1 0 238.375 2.330 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1CCCSCC#N ZINC000336675845 350436940 /nfs/dbraw/zinc/43/69/40/350436940.db2.gz VXEYSGXJNBUCHN-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000162699024 350416687 /nfs/dbraw/zinc/41/66/87/350416687.db2.gz MPTPHBWCKDPTLS-MRVPVSSYSA-N 1 0 223.272 2.039 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCSCC#N)[C@@H](C)C1 ZINC000336668551 350424994 /nfs/dbraw/zinc/42/49/94/350424994.db2.gz PDPFKXVSFCAQFC-RYUDHWBXSA-N 1 0 242.388 2.133 20 30 BEEDRO C=CCCC[N@@H+](C)CCCc1nc(C)no1 ZINC000336687976 350443976 /nfs/dbraw/zinc/44/39/76/350443976.db2.gz YBBLNJZEGBLALU-UHFFFAOYSA-N 1 0 223.320 2.209 20 30 BEEDRO C=CC[C@H](CC)NC(=O)C1([NH+](C)C)CCCC1 ZINC001639668809 1172128036 /nfs/dbraw/zinc/12/80/36/1172128036.db2.gz LKHRRTJINXKGEI-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCN(C2CC2)C1 ZINC000336704404 350455956 /nfs/dbraw/zinc/45/59/56/350455956.db2.gz HLXNZKUKMJDNAX-AWEZNQCLSA-N 1 0 249.402 2.485 20 30 BEEDRO CC#CCC[NH+]1CCC(C)(OCC)CC1 ZINC000336700516 350456919 /nfs/dbraw/zinc/45/69/19/350456919.db2.gz PLKSGYFSUUJDJM-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336701686 350457952 /nfs/dbraw/zinc/45/79/52/350457952.db2.gz LVEJKPXSPQVIFG-KBPBESRZSA-N 1 0 236.359 2.429 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336701690 350458001 /nfs/dbraw/zinc/45/80/01/350458001.db2.gz LVEJKPXSPQVIFG-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@H](C#N)C[N@H+](CC1CCOCC1)C1CC1 ZINC000336701990 350458242 /nfs/dbraw/zinc/45/82/42/350458242.db2.gz MPSZJYSSTVASIQ-LLVKDONJSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CC1CCOCC1)C1CC1 ZINC000336701991 350458346 /nfs/dbraw/zinc/45/83/46/350458346.db2.gz MPSZJYSSTVASIQ-NSHDSACASA-N 1 0 222.332 2.037 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@H]1CCCOC1 ZINC000336709161 350461512 /nfs/dbraw/zinc/46/15/12/350461512.db2.gz WAIIVWUFSITFSY-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000336709073 350461727 /nfs/dbraw/zinc/46/17/27/350461727.db2.gz PRTHWRWSWKXPCR-CHWSQXEVSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618571412 350487292 /nfs/dbraw/zinc/48/72/92/350487292.db2.gz LPZAOUPUFSJEBZ-ZOBORPQBSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H]1CCCN(C)C1=O ZINC000577491522 365966932 /nfs/dbraw/zinc/96/69/32/365966932.db2.gz OCPGPXWNRUNFOX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](C)C[C@@H](C)O)ccc1C#N ZINC000444001882 191111258 /nfs/dbraw/zinc/11/12/58/191111258.db2.gz LSARAFUWZUHYTK-DGCLKSJQSA-N 1 0 246.354 2.363 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](CC(C)C)C(C)C)C1=O ZINC000337121610 350557711 /nfs/dbraw/zinc/55/77/11/350557711.db2.gz ANDFNCPWXGZQPL-ZDUSSCGKSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCCNC(=O)NCCC[NH2+]C(C)C ZINC000637418401 350560322 /nfs/dbraw/zinc/56/03/22/350560322.db2.gz OTZJQFMLXPMYTP-UHFFFAOYSA-N 1 0 241.379 2.030 20 30 BEEDRO CC[C@@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000123183914 350659965 /nfs/dbraw/zinc/65/99/65/350659965.db2.gz MTBJOXITYUPRHF-GFCCVEGCSA-N 1 0 212.337 2.067 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000309526998 350702117 /nfs/dbraw/zinc/70/21/17/350702117.db2.gz CJXFVGCZTVYIHL-LBPRGKRZSA-N 1 0 215.300 2.352 20 30 BEEDRO C=C(CC)CN(CCC)CC(=O)OCC ZINC000097209109 350692744 /nfs/dbraw/zinc/69/27/44/350692744.db2.gz HMZUFADHLVVELG-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674034 350700958 /nfs/dbraw/zinc/70/09/58/350700958.db2.gz VPBBDTHOKDMGEM-CQSZACIVSA-N 1 0 232.327 2.324 20 30 BEEDRO CC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000224186742 535153535 /nfs/dbraw/zinc/15/35/35/535153535.db2.gz VZWPWPIEKCCZGL-UHFFFAOYSA-N 1 0 200.285 2.448 20 30 BEEDRO C=CCC[C@H]([NH2+]CCO)c1ccccc1 ZINC000125047433 350728322 /nfs/dbraw/zinc/72/83/22/350728322.db2.gz XMSAPOVTCBLUCQ-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(O)CCC1)C1CC1 ZINC000125329678 350732927 /nfs/dbraw/zinc/73/29/27/350732927.db2.gz MOVYLOYZULTXOB-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO CC#CC[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000339750333 350817569 /nfs/dbraw/zinc/81/75/69/350817569.db2.gz CLWOEHRAPFXFGQ-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO CC#CCN(C)Cc1ccc(C#N)c(F)c1 ZINC000339754238 350819073 /nfs/dbraw/zinc/81/90/73/350819073.db2.gz NZIONAPNEZUEIN-UHFFFAOYSA-N 1 0 216.259 2.152 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000628312111 350812833 /nfs/dbraw/zinc/81/28/33/350812833.db2.gz OSHDRUVHAFFEFG-LLVKDONJSA-N 1 0 249.358 2.307 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1sc(C)nc1C ZINC000336681811 350906839 /nfs/dbraw/zinc/90/68/39/350906839.db2.gz DBRHWJRXSFYYAV-NSHDSACASA-N 1 0 240.372 2.034 20 30 BEEDRO COCCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397580189 350930735 /nfs/dbraw/zinc/93/07/35/350930735.db2.gz FOMYDOIGQYKOCP-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C[NH2+]CCSCc1cc(C#N)ccc1OC ZINC000382647976 350937427 /nfs/dbraw/zinc/93/74/27/350937427.db2.gz QCWMHBXAFNEODI-UHFFFAOYSA-N 1 0 236.340 2.019 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CS1 ZINC000397907584 350988484 /nfs/dbraw/zinc/98/84/84/350988484.db2.gz YGIZPZVSXAEJOX-NXEZZACHSA-N 1 0 210.346 2.164 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cccc(F)c1 ZINC000289927036 350994876 /nfs/dbraw/zinc/99/48/76/350994876.db2.gz VHFDZSHMLIDMGM-SKDRFNHKSA-N 1 0 209.264 2.023 20 30 BEEDRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397591797 350950325 /nfs/dbraw/zinc/95/03/25/350950325.db2.gz CFEJLRRNSBXKGM-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CCOCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397630484 350954531 /nfs/dbraw/zinc/95/45/31/350954531.db2.gz ULBMLPSPRDMYNX-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000397604007 350957348 /nfs/dbraw/zinc/95/73/48/350957348.db2.gz GUXSEJLGWOONJO-AWEZNQCLSA-N 1 0 229.327 2.250 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cccnc1 ZINC000336700352 351044468 /nfs/dbraw/zinc/04/44/68/351044468.db2.gz NMOKKDCFLVYGMI-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[NH+](CC)CC ZINC000628316489 351049414 /nfs/dbraw/zinc/04/94/14/351049414.db2.gz WFQNPNNXUFXSFA-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000231679095 351062271 /nfs/dbraw/zinc/06/22/71/351062271.db2.gz ZHUDOXUMLUBFRB-STQMWFEESA-N 1 0 248.301 2.354 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000364032040 191128640 /nfs/dbraw/zinc/12/86/40/191128640.db2.gz XTJMXRIDMJNEIS-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCC[C@@H]1CCOC1 ZINC000402145613 362994314 /nfs/dbraw/zinc/99/43/14/362994314.db2.gz LPLNDVPKABJOEU-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336694261 351014820 /nfs/dbraw/zinc/01/48/20/351014820.db2.gz XYGNLKCQQWQMBB-GRYCIOLGSA-N 1 0 243.416 2.433 20 30 BEEDRO C=CC1CC[NH+](Cc2ccccn2)CC1 ZINC000111257511 191130400 /nfs/dbraw/zinc/13/04/00/191130400.db2.gz COAKBVZRDAXLNZ-UHFFFAOYSA-N 1 0 202.301 2.480 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000336710277 351079611 /nfs/dbraw/zinc/07/96/11/351079611.db2.gz TVZZUNOKMRXEQL-NSHDSACASA-N 1 0 208.349 2.167 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCSC1 ZINC000129358083 351160856 /nfs/dbraw/zinc/16/08/56/351160856.db2.gz ILQSKHWYCPFZLR-VIFPVBQESA-N 1 0 203.376 2.001 20 30 BEEDRO CC#CC[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000336723311 351260549 /nfs/dbraw/zinc/26/05/49/351260549.db2.gz AQXRFUDJYYRISP-CYBMUJFWSA-N 1 0 221.275 2.126 20 30 BEEDRO CC(C)OCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336722857 351218932 /nfs/dbraw/zinc/21/89/32/351218932.db2.gz AYVAKGXEXGVSFY-STQMWFEESA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2ncccc21 ZINC000631634670 351321694 /nfs/dbraw/zinc/32/16/94/351321694.db2.gz ZRVMFHXBPRQYOH-WFASDCNBSA-N 1 0 246.354 2.376 20 30 BEEDRO Cc1ccc(CN(C)C[C@H](C)C#N)cc1[N+](=O)[O-] ZINC000271126725 351402984 /nfs/dbraw/zinc/40/29/84/351402984.db2.gz LJVSVOSUWTZTRU-SNVBAGLBSA-N 1 0 247.298 2.495 20 30 BEEDRO CN(C)C(=[NH2+])NCC1(Cc2ccc(F)cc2)CC1 ZINC000271281344 351410768 /nfs/dbraw/zinc/41/07/68/351410768.db2.gz QJJGINUAYHTCKO-UHFFFAOYSA-N 1 0 249.333 2.025 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000231930156 351464838 /nfs/dbraw/zinc/46/48/38/351464838.db2.gz NPPIDUQJBVIIKR-ZJUUUORDSA-N 1 0 217.403 2.389 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451882380 351422740 /nfs/dbraw/zinc/42/27/40/351422740.db2.gz CXHQRXUIOLQKOD-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO Cc1cc(C[NH2+]CC2(CC#N)CC2)sn1 ZINC000404372399 363060008 /nfs/dbraw/zinc/06/00/08/363060008.db2.gz RQOAJMZSLQIHIV-UHFFFAOYSA-N 1 0 221.329 2.235 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]CC1(CC#N)CC1 ZINC000336727883 351547102 /nfs/dbraw/zinc/54/71/02/351547102.db2.gz GYCHPAZHOBGAFZ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO COc1ccccc1CO[NH+]=C(N)C(C)C ZINC000274758631 351580830 /nfs/dbraw/zinc/58/08/30/351580830.db2.gz RVVYMDPTFQDAOE-UHFFFAOYSA-N 1 0 222.288 2.140 20 30 BEEDRO COc1cccc2c1CC[C@H]([NH2+]CCCC#N)C2 ZINC000277357220 351701876 /nfs/dbraw/zinc/70/18/76/351701876.db2.gz ZKJDKIUIEQVUPY-ZDUSSCGKSA-N 1 0 244.338 2.446 20 30 BEEDRO COc1cccc2c1CC[C@@H]([NH2+]CCCC#N)C2 ZINC000277357219 351701903 /nfs/dbraw/zinc/70/19/03/351701903.db2.gz ZKJDKIUIEQVUPY-CYBMUJFWSA-N 1 0 244.338 2.446 20 30 BEEDRO COC[C@H]([NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000405084097 351667033 /nfs/dbraw/zinc/66/70/33/351667033.db2.gz BWVJOMCSLDDHDK-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000278152375 351747946 /nfs/dbraw/zinc/74/79/46/351747946.db2.gz AFYNKBNQQARGSM-WXHSDQCUSA-N 1 0 244.342 2.459 20 30 BEEDRO CN(Cc1cscn1)[C@H]1CC[C@@H](C#N)C1 ZINC000278651266 351774892 /nfs/dbraw/zinc/77/48/92/351774892.db2.gz PVTCSNBMZBWRHG-KOLCDFICSA-N 1 0 221.329 2.267 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCC[C@@H](C)O)c1 ZINC000278866173 351787831 /nfs/dbraw/zinc/78/78/31/351787831.db2.gz VKRCSEPCGHIJBM-LLVKDONJSA-N 1 0 249.358 2.137 20 30 BEEDRO CCCNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000280625744 351854298 /nfs/dbraw/zinc/85/42/98/351854298.db2.gz SDLPYXYSNPGFGT-XYPYZODXSA-N 1 0 249.333 2.386 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405130168 351858074 /nfs/dbraw/zinc/85/80/74/351858074.db2.gz MVYACTRNCDBHIX-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CCO1 ZINC000405130297 351858110 /nfs/dbraw/zinc/85/81/10/351858110.db2.gz MYKDDSUYGDDTQT-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H](C#N)CN(C)CC[N@H+](C)Cc1ccccc1 ZINC000281003567 351870404 /nfs/dbraw/zinc/87/04/04/351870404.db2.gz MWMNLANGEVTJQR-AWEZNQCLSA-N 1 0 245.370 2.210 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)[NH2+]CC ZINC000638009182 351887804 /nfs/dbraw/zinc/88/78/04/351887804.db2.gz ZRNLFVGBBKIHKZ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000405147648 351958564 /nfs/dbraw/zinc/95/85/64/351958564.db2.gz BIGVIPFRKFYGQP-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(=O)[nH]c1 ZINC000638100261 351980369 /nfs/dbraw/zinc/98/03/69/351980369.db2.gz XCZOLUIUGLZNRM-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000618068838 351994719 /nfs/dbraw/zinc/99/47/19/351994719.db2.gz ANBWMBVFXGJIMF-OCCSQVGLSA-N 1 0 249.402 2.389 20 30 BEEDRO CC#CC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285460002 352045174 /nfs/dbraw/zinc/04/51/74/352045174.db2.gz ZFXWFWZLCCDVQM-UHFFFAOYSA-N 1 0 201.269 2.392 20 30 BEEDRO Cc1noc([C@@H]2CCCN2CCCCC#N)n1 ZINC000285712679 352056581 /nfs/dbraw/zinc/05/65/81/352056581.db2.gz PQQQXALUCFPICH-NSHDSACASA-N 1 0 234.303 2.209 20 30 BEEDRO C=CCCC[N@@H+](CCCO)Cc1ccccn1 ZINC000286998728 352109907 /nfs/dbraw/zinc/10/99/07/352109907.db2.gz QVLFYBDGFOWLJG-UHFFFAOYSA-N 1 0 234.343 2.232 20 30 BEEDRO CCO[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000618887144 352155493 /nfs/dbraw/zinc/15/54/93/352155493.db2.gz KIDKXLNYYYKINN-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1cc(C[N@@H+](C)C[C@@H](C)CCC#N)no1 ZINC000618887340 352159021 /nfs/dbraw/zinc/15/90/21/352159021.db2.gz VCXHVXQEAXAGBB-JTQLQIEISA-N 1 0 221.304 2.355 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCSCC1 ZINC000618887645 352160680 /nfs/dbraw/zinc/16/06/80/352160680.db2.gz HTONWQNDOMWNRC-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000618887626 352160738 /nfs/dbraw/zinc/16/07/38/352160738.db2.gz HIHXYLFZMCIHNY-SYQHCUMBSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)[C@H](C)CC#N ZINC000340292787 352163789 /nfs/dbraw/zinc/16/37/89/352163789.db2.gz ZGNKMHWKFSQFBH-ZIAGYGMSSA-N 1 0 237.391 2.483 20 30 BEEDRO COC[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000618888191 352165849 /nfs/dbraw/zinc/16/58/49/352165849.db2.gz NXUDQYRQWMMFPZ-STQMWFEESA-N 1 0 224.348 2.285 20 30 BEEDRO C#Cc1ccc(CNCCC[N@@H+](C)C(C)C)cc1 ZINC000289373109 352182395 /nfs/dbraw/zinc/18/23/95/352182395.db2.gz ZYKZZHWIIGBWTH-UHFFFAOYSA-N 1 0 244.382 2.488 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)cc1 ZINC000289648474 352193813 /nfs/dbraw/zinc/19/38/13/352193813.db2.gz LKCKNXDUMMKERX-WKILWMFISA-N 1 0 243.350 2.403 20 30 BEEDRO C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC#N ZINC000020199695 352140731 /nfs/dbraw/zinc/14/07/31/352140731.db2.gz DWIISBWHKKHFDR-NSHDSACASA-N 1 0 246.310 2.240 20 30 BEEDRO C=C(CNC(=O)[C@H](CC)[NH+](C)C)c1ccccc1 ZINC000288410187 352148352 /nfs/dbraw/zinc/14/83/52/352148352.db2.gz ZEVIREHMILNFMB-AWEZNQCLSA-N 1 0 246.354 2.156 20 30 BEEDRO C[N@H+](CCC1(O)CCC1)Cc1ccc(C#N)cc1 ZINC000411140151 191162964 /nfs/dbraw/zinc/16/29/64/191162964.db2.gz ZRJWMFCARRPVOQ-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH2+]CC ZINC000638400358 352205242 /nfs/dbraw/zinc/20/52/42/352205242.db2.gz IVHCSAGBLKYFSD-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000230660128 352216858 /nfs/dbraw/zinc/21/68/58/352216858.db2.gz LMYXSSRWWSCDCW-SECBINFHSA-N 1 0 204.273 2.287 20 30 BEEDRO C=CCC1(NC(=O)C2=CC[C@H]([NH3+])C2)CCCC1 ZINC000638421712 352229873 /nfs/dbraw/zinc/22/98/73/352229873.db2.gz ZPWAJQZZYVJEML-LBPRGKRZSA-N 1 0 234.343 2.039 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCCC#N ZINC000613388436 363153945 /nfs/dbraw/zinc/15/39/45/363153945.db2.gz ACRBLVYDJFUWGQ-TZMCWYRMSA-N 1 0 232.327 2.044 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCCCC#N ZINC000613390024 363154635 /nfs/dbraw/zinc/15/46/35/363154635.db2.gz QQTRXOQSPMYDSL-UKRRQHHQSA-N 1 0 246.354 2.434 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C1(C[NH3+])CCCC1 ZINC000638455093 352265240 /nfs/dbraw/zinc/26/52/40/352265240.db2.gz PYQGEFYFILOZKE-UHFFFAOYSA-N 1 0 238.375 2.224 20 30 BEEDRO C=CC(C)(C)CCNC(=O)c1coc(C[NH3+])c1 ZINC000638455546 352265954 /nfs/dbraw/zinc/26/59/54/352265954.db2.gz XKVWMDLVUPAFJT-UHFFFAOYSA-N 1 0 236.315 2.070 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000638455552 352266074 /nfs/dbraw/zinc/26/60/74/352266074.db2.gz XPMHNVSKZRPZQS-AWEZNQCLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000638453901 352267038 /nfs/dbraw/zinc/26/70/38/352267038.db2.gz BSCUGVDSKOZXLY-VXGBXAGGSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@](C)([NH3+])CCC ZINC000638454237 352267330 /nfs/dbraw/zinc/26/73/30/352267330.db2.gz DVZXWEKZGHWPLV-ZDUSSCGKSA-N 1 0 226.364 2.222 20 30 BEEDRO CC(C)[NH+]1CCC(NCc2ccc(C#N)o2)CC1 ZINC000135133338 187638389 /nfs/dbraw/zinc/63/83/89/187638389.db2.gz GGVKYRCYBIWREK-UHFFFAOYSA-N 1 0 247.342 2.114 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000336738887 352317513 /nfs/dbraw/zinc/31/75/13/352317513.db2.gz KQNBGVIIUIYGSO-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000638471606 352280459 /nfs/dbraw/zinc/28/04/59/352280459.db2.gz JJHWCOBZNNSAHS-CYBMUJFWSA-N 1 0 244.338 2.184 20 30 BEEDRO Cc1ccc(C(C)(C)CNC(=[NH2+])N(C)C)c(C)c1 ZINC000291972032 352296311 /nfs/dbraw/zinc/29/63/11/352296311.db2.gz TVMQJZLXMAPFTD-UHFFFAOYSA-N 1 0 247.386 2.457 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000411227922 191170225 /nfs/dbraw/zinc/17/02/25/191170225.db2.gz PWEKPOARBFMEET-OLZOCXBDSA-N 1 0 232.331 2.212 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](c1ccccc1)C1CC1 ZINC000292299606 352313226 /nfs/dbraw/zinc/31/32/26/352313226.db2.gz KHOBMKRFFOXHSL-AWEZNQCLSA-N 1 0 243.354 2.271 20 30 BEEDRO N#CC1(CC[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000411234993 191172579 /nfs/dbraw/zinc/17/25/79/191172579.db2.gz GSWNSLANJDSYRW-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C#CCC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292509442 352323159 /nfs/dbraw/zinc/32/31/59/352323159.db2.gz VHYWXAXWVYEYKY-GFCCVEGCSA-N 1 0 215.296 2.293 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H]1CCCOC1 ZINC000411285056 191173867 /nfs/dbraw/zinc/17/38/67/191173867.db2.gz ZOCWOOKXRGIUTG-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000411276092 191173906 /nfs/dbraw/zinc/17/39/06/191173906.db2.gz LPWXCVIPUSGJKJ-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO N#CC1(CC[N@H+]2CC[C@H](CO)C2)CCCCC1 ZINC000411280913 191174277 /nfs/dbraw/zinc/17/42/77/191174277.db2.gz GMQFSOWBTNOLQG-ZDUSSCGKSA-N 1 0 236.359 2.165 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411315652 191177745 /nfs/dbraw/zinc/17/77/45/191177745.db2.gz UTEHAJGNZWKEJF-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411315654 191177967 /nfs/dbraw/zinc/17/79/67/191177967.db2.gz UTEHAJGNZWKEJF-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638524061 352356457 /nfs/dbraw/zinc/35/64/57/352356457.db2.gz KITGKTLCNBUGBJ-JQWIXIFHSA-N 1 0 244.329 2.270 20 30 BEEDRO C[C@@H](CCC#N)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000411439224 191186018 /nfs/dbraw/zinc/18/60/18/191186018.db2.gz DRTNDBGLIIDEJK-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO COc1ccncc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000294110345 352369750 /nfs/dbraw/zinc/36/97/50/352369750.db2.gz JZUWSZAYLFMJDG-WCQYABFASA-N 1 0 245.326 2.262 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCO1 ZINC000411490986 191188672 /nfs/dbraw/zinc/18/86/72/191188672.db2.gz UNZOHMHXEVOYID-RYUDHWBXSA-N 1 0 210.321 2.035 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1cc(C(C)=O)ccc1C#N ZINC000420206314 192175105 /nfs/dbraw/zinc/17/51/05/192175105.db2.gz PYWCLNMEMAMVEH-SNVBAGLBSA-N 1 0 245.326 2.028 20 30 BEEDRO C[C@@H](CO)[C@@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411526804 191191095 /nfs/dbraw/zinc/19/10/95/191191095.db2.gz FAKVYEASMNAIEW-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@@H](C)CO ZINC000120725166 352396965 /nfs/dbraw/zinc/39/69/65/352396965.db2.gz BAUZLFDJSDBUPD-CYBMUJFWSA-N 1 0 244.338 2.175 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638571569 352397016 /nfs/dbraw/zinc/39/70/16/352397016.db2.gz UUTVXVAMXCGVOE-QWHCGFSZSA-N 1 0 236.359 2.012 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CC[C@@H]1CCCO1 ZINC000411622131 191198110 /nfs/dbraw/zinc/19/81/10/191198110.db2.gz PKGZEINVSYNNQO-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCSC[C@@H](C)C1 ZINC000411636210 191199024 /nfs/dbraw/zinc/19/90/24/191199024.db2.gz RJEUEMOVZJHUSR-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000411630339 191199459 /nfs/dbraw/zinc/19/94/59/191199459.db2.gz HTNOFGIJIKTQDV-JQWIXIFHSA-N 1 0 230.311 2.141 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CCC#N)C[C@@H]1OC ZINC000411632134 191199849 /nfs/dbraw/zinc/19/98/49/191199849.db2.gz OUERWHCHRHABQR-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000411656934 191200691 /nfs/dbraw/zinc/20/06/91/191200691.db2.gz DSQNDEJJVNFNDP-NQBHXWOUSA-N 1 0 222.332 2.178 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)CCC(F)(F)F ZINC000411646173 191202496 /nfs/dbraw/zinc/20/24/96/191202496.db2.gz VDHIJDAQRQTAQD-UHFFFAOYSA-N 1 0 238.297 2.379 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000411665025 191203593 /nfs/dbraw/zinc/20/35/93/191203593.db2.gz GNJVTWCFKBXJRZ-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[N@H+](CCCO)CCC1(C#N)CCCCC1 ZINC000411692247 191204316 /nfs/dbraw/zinc/20/43/16/191204316.db2.gz JCRGBBLFGKMESK-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO CC[C@H]1C[N@@H+]([C@H](C)CCC#N)CCCO1 ZINC000411681214 191204411 /nfs/dbraw/zinc/20/44/11/191204411.db2.gz ZFRBNSJSKJVSKI-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCCC#N ZINC000411556131 191194337 /nfs/dbraw/zinc/19/43/37/191194337.db2.gz XLAUNLORBDXCIJ-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000411800952 191212695 /nfs/dbraw/zinc/21/26/95/191212695.db2.gz MAPGXJMDHXJODG-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)O[C@@H]1C[C@H]([NH2+]CCC#N)C1(C)C ZINC000411802443 191212729 /nfs/dbraw/zinc/21/27/29/191212729.db2.gz NQCORAVWYVZJIZ-WDEREUQCSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000638611756 352451302 /nfs/dbraw/zinc/45/13/02/352451302.db2.gz XRUHXHYOJDIJIG-UNXYVOJBSA-N 1 0 205.305 2.141 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411800954 191213271 /nfs/dbraw/zinc/21/32/71/191213271.db2.gz MAPGXJMDHXJODG-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000388260367 352489589 /nfs/dbraw/zinc/48/95/89/352489589.db2.gz BEPCHECNQLFODT-IAQYHMDHSA-N 1 0 244.338 2.461 20 30 BEEDRO N#CCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411920635 191227146 /nfs/dbraw/zinc/22/71/46/191227146.db2.gz CKOWTQZEMUICBV-UONOGXRCSA-N 1 0 230.311 2.098 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411968185 191234162 /nfs/dbraw/zinc/23/41/62/191234162.db2.gz IYFGTWXFTZYZPJ-GXTWGEPZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412001178 191236188 /nfs/dbraw/zinc/23/61/88/191236188.db2.gz GEKBWNSDTQHKFL-UHFFFAOYSA-N 1 0 235.371 2.339 20 30 BEEDRO COC1([C@H](C)[NH2+]CCCCC#N)CCC1 ZINC000412027209 191239185 /nfs/dbraw/zinc/23/91/85/191239185.db2.gz UZGUNNZTCUKZMW-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]CCCC#N)C1CC1 ZINC000411934946 191230427 /nfs/dbraw/zinc/23/04/27/191230427.db2.gz AOSFALHDKCJOKE-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638751276 352684360 /nfs/dbraw/zinc/68/43/60/352684360.db2.gz XYSVVYFXBZLWOU-KOLCDFICSA-N 1 0 205.305 2.035 20 30 BEEDRO CO[C@](C)([C@H](C)[NH2+]CCCC#N)C1CC1 ZINC000411934942 191231178 /nfs/dbraw/zinc/23/11/78/191231178.db2.gz AOSFALHDKCJOKE-CMPLNLGQSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1cc(C[NH2+]CCCC#N)ccc1C#N ZINC000336745296 352730650 /nfs/dbraw/zinc/73/06/50/352730650.db2.gz VPHRWUFDYISVMB-UHFFFAOYSA-N 1 0 213.284 2.260 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000336745684 352732675 /nfs/dbraw/zinc/73/26/75/352732675.db2.gz VVJJOZAAUCJKPP-NEPJUHHUSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000336746808 352742617 /nfs/dbraw/zinc/74/26/17/352742617.db2.gz BZPPCVWOTGDEAC-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000336746785 352742671 /nfs/dbraw/zinc/74/26/71/352742671.db2.gz BYXSVVBVZCBAIE-LPEHRKFASA-N 1 0 221.291 2.193 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000154485125 538105449 /nfs/dbraw/zinc/10/54/49/538105449.db2.gz KZBMNAYXRCGEOU-HNNXBMFYSA-N 1 0 247.313 2.288 20 30 BEEDRO C=C1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000334271342 352907850 /nfs/dbraw/zinc/90/78/50/352907850.db2.gz GXYLZLWCNALILW-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC1CC[NH+](Cc2ccnc(OC)c2)CC1 ZINC000342863335 352880472 /nfs/dbraw/zinc/88/04/72/352880472.db2.gz IBWBXRGYNLMSGV-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CCC(C)(C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000334328210 352964956 /nfs/dbraw/zinc/96/49/56/352964956.db2.gz HXOLCKWPCHVDRL-TXEJJXNPSA-N 1 0 238.375 2.140 20 30 BEEDRO COCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334365414 353019078 /nfs/dbraw/zinc/01/90/78/353019078.db2.gz ODEKOPHDOVMBNA-OLZOCXBDSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638834864 353020267 /nfs/dbraw/zinc/02/02/67/353020267.db2.gz RZPDDTQCGWMNSK-DOMZBBRYSA-N 1 0 248.370 2.134 20 30 BEEDRO C=C(C)CN1CCC([NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000336751426 353059650 /nfs/dbraw/zinc/05/96/50/353059650.db2.gz VHVYOWJQLPMROU-OLZOCXBDSA-N 1 0 222.376 2.273 20 30 BEEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2ncc[nH]2)CC1 ZINC000428229057 538107827 /nfs/dbraw/zinc/10/78/27/538107827.db2.gz DTPKTKNPBXBWFV-LBPRGKRZSA-N 1 0 248.374 2.101 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000638876399 353042294 /nfs/dbraw/zinc/04/22/94/353042294.db2.gz YOCOTMRBBJKJPC-QWRGUYRKSA-N 1 0 226.364 2.078 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cccc(C#N)n1 ZINC000310458813 188002192 /nfs/dbraw/zinc/00/21/92/188002192.db2.gz VELDJFKGILCGJC-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)CO)cc1 ZINC000151820273 187978070 /nfs/dbraw/zinc/97/80/70/187978070.db2.gz SQEGSLITGLAIMC-OCCSQVGLSA-N 1 0 247.338 2.120 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000334423869 353102522 /nfs/dbraw/zinc/10/25/22/353102522.db2.gz GCJZVEQAKCZEEO-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000188204717 353127863 /nfs/dbraw/zinc/12/78/63/353127863.db2.gz OHKXSYJASPWUSX-KOLCDFICSA-N 1 0 205.305 2.400 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000166473736 188052154 /nfs/dbraw/zinc/05/21/54/188052154.db2.gz OTTOMVOXHQJXDU-NEPJUHHUSA-N 1 0 217.312 2.325 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000336760310 353171921 /nfs/dbraw/zinc/17/19/21/353171921.db2.gz MDZBEGJMGRZHEO-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000336760553 353172293 /nfs/dbraw/zinc/17/22/93/353172293.db2.gz JWGHXYOJINFVIM-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCOCC[NH2+]C[C@H](Cc1ccccc1)OC ZINC000638969825 353176459 /nfs/dbraw/zinc/17/64/59/353176459.db2.gz NUFCKGCAXRIFRR-HNNXBMFYSA-N 1 0 249.354 2.036 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000336762136 353197509 /nfs/dbraw/zinc/19/75/09/353197509.db2.gz NVHPCSCLYGRSFB-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336763838 353250931 /nfs/dbraw/zinc/25/09/31/353250931.db2.gz PQZBKKJHGWQTOQ-STQMWFEESA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000126791989 353254137 /nfs/dbraw/zinc/25/41/37/353254137.db2.gz VHLOUHRBCQLJJW-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccccc1F ZINC000336764784 353257679 /nfs/dbraw/zinc/25/76/79/353257679.db2.gz QLXHYRIMJOBOFY-ZJUUUORDSA-N 1 0 209.264 2.023 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N1CCCC[C@H]1CC ZINC000121375842 324009490 /nfs/dbraw/zinc/00/94/90/324009490.db2.gz RTRPZKUBZKTDJP-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccccc1 ZINC000053584846 353244563 /nfs/dbraw/zinc/24/45/63/353244563.db2.gz IEBYJJHNXSAFMY-UHFFFAOYSA-N 1 0 205.301 2.369 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000189104781 353275259 /nfs/dbraw/zinc/27/52/59/353275259.db2.gz UVSZYGBNNKLKTR-DTWKUNHWSA-N 1 0 224.329 2.133 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000336768071 353277561 /nfs/dbraw/zinc/27/75/61/353277561.db2.gz UIEVFRSCTBNVCS-DTWKUNHWSA-N 1 0 209.293 2.383 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nc(C)no1 ZINC000336768073 353277598 /nfs/dbraw/zinc/27/75/98/353277598.db2.gz UIEVFRSCTBNVCS-RKDXNWHRSA-N 1 0 209.293 2.383 20 30 BEEDRO C=CCCC[N@@H+](CCO)Cc1ccccc1 ZINC000070595497 353259784 /nfs/dbraw/zinc/25/97/84/353259784.db2.gz YOGUJWNYILHMON-UHFFFAOYSA-N 1 0 219.328 2.447 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000121596620 324018121 /nfs/dbraw/zinc/01/81/21/324018121.db2.gz ZSEXSUVOLGEKNB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000128095362 353282514 /nfs/dbraw/zinc/28/25/14/353282514.db2.gz USVJMOGZKDKBME-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000251778974 353286407 /nfs/dbraw/zinc/28/64/07/353286407.db2.gz RMQQIXKZMBIOOP-MISXGVKJSA-N 1 0 217.378 2.040 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC3(CCO3)CC2)s1 ZINC000370297500 188248078 /nfs/dbraw/zinc/24/80/78/188248078.db2.gz KRWQYESPPKAPHC-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO C#CCN1C[C@H](C)OC[C@H]1c1ccccc1 ZINC000174460517 188251566 /nfs/dbraw/zinc/25/15/66/188251566.db2.gz PSQQVYPLXKJPEQ-JSGCOSHPSA-N 1 0 215.296 2.082 20 30 BEEDRO CC#CCN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268523164 188261527 /nfs/dbraw/zinc/26/15/27/188261527.db2.gz GEXYZSQVUSFDEO-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000268642354 188261650 /nfs/dbraw/zinc/26/16/50/188261650.db2.gz DSAULSCVURVGSG-HNNXBMFYSA-N 1 0 244.338 2.490 20 30 BEEDRO C#CCC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000272972400 188262737 /nfs/dbraw/zinc/26/27/37/188262737.db2.gz PFTGMPLCNSFEDK-LBPRGKRZSA-N 1 0 215.296 2.293 20 30 BEEDRO C=CCCCC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000274578556 188264360 /nfs/dbraw/zinc/26/43/60/188264360.db2.gz KEFARFHSHINNAX-UHFFFAOYSA-N 1 0 232.327 2.231 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CCOCC)cc1 ZINC000161911519 353300776 /nfs/dbraw/zinc/30/07/76/353300776.db2.gz UJJVZMUDHWVEMC-ZDUSSCGKSA-N 1 0 247.338 2.386 20 30 BEEDRO C[C@@H]([NH2+]CCn1cccn1)c1ccc(C#N)cc1 ZINC000042538720 188293728 /nfs/dbraw/zinc/29/37/28/188293728.db2.gz FIHNRHOJXMEQPW-GFCCVEGCSA-N 1 0 240.310 2.106 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1ccn(C)n1 ZINC000336773605 353330877 /nfs/dbraw/zinc/33/08/77/353330877.db2.gz YUOHYHDNZFYSCX-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253103121 353317118 /nfs/dbraw/zinc/31/71/18/353317118.db2.gz YLJWKQGDDFRYMQ-RBSFLKMASA-N 1 0 235.371 2.415 20 30 BEEDRO C=C(Cl)CN1CCc2ccccc2[C@@H]1CO ZINC000129413975 353317940 /nfs/dbraw/zinc/31/79/40/353317940.db2.gz ZMXQMFNTMILUSY-ZDUSSCGKSA-N 1 0 237.730 2.331 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000162636817 353323383 /nfs/dbraw/zinc/32/33/83/353323383.db2.gz YIDMAJWSBHFVRX-JTQLQIEISA-N 1 0 221.300 2.455 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)O)c1ccc(C#N)cc1 ZINC000092801065 188318739 /nfs/dbraw/zinc/31/87/39/188318739.db2.gz APYZYKOGEZYQGY-NSHDSACASA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000639057012 353362161 /nfs/dbraw/zinc/36/21/61/353362161.db2.gz VVOXSBVLKMVLFD-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639055972 353365930 /nfs/dbraw/zinc/36/59/30/353365930.db2.gz FHGCFQPEQMJKIL-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000080958985 353394836 /nfs/dbraw/zinc/39/48/36/353394836.db2.gz LWACMMJGIGKQQU-LLVKDONJSA-N 1 0 205.305 2.165 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131928534 353375422 /nfs/dbraw/zinc/37/54/22/353375422.db2.gz PGPMDYJJWRNGRT-CYBMUJFWSA-N 1 0 218.300 2.111 20 30 BEEDRO CCC(N)=[NH+]OCCCOc1cccc(C#N)c1 ZINC000268553851 535227665 /nfs/dbraw/zinc/22/76/65/535227665.db2.gz CVVYFAUYGFNLSO-UHFFFAOYSA-N 1 0 247.298 2.026 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccccc2OC)CC1 ZINC000132309015 353377701 /nfs/dbraw/zinc/37/77/01/353377701.db2.gz UQJSHBCTZFFCEQ-UHFFFAOYSA-N 1 0 246.354 2.393 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)c1cnc(C)nc1C ZINC000639067874 353378517 /nfs/dbraw/zinc/37/85/17/353378517.db2.gz NAGBAPNXSXHVSM-SNVBAGLBSA-N 1 0 205.305 2.272 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cc(C#N)ccn1 ZINC000310112240 188347751 /nfs/dbraw/zinc/34/77/51/188347751.db2.gz RQMGLMDVNLNJBO-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO CC(C)[N@@H+]1CCCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334509593 353419936 /nfs/dbraw/zinc/41/99/36/353419936.db2.gz QYJBWBXRKCGVKZ-KBPBESRZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000133167214 353408190 /nfs/dbraw/zinc/40/81/90/353408190.db2.gz XXNHEACMQTWZKG-UHFFFAOYSA-N 1 0 236.281 2.133 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271545879 188375864 /nfs/dbraw/zinc/37/58/64/188375864.db2.gz QAYMVAOQGUFIOQ-RISCZKNCSA-N 1 0 248.326 2.444 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCN1CCc2ccccc21 ZINC000563727545 353412046 /nfs/dbraw/zinc/41/20/46/353412046.db2.gz VQDFIPMIFLOBJK-CQSZACIVSA-N 1 0 243.354 2.331 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cccc(C#N)c1 ZINC000352892186 188370594 /nfs/dbraw/zinc/37/05/94/188370594.db2.gz JYWSAGKJBXYBTJ-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CC(C)(C)C[NH2+]CCCc1cnn(C)c1 ZINC000314307933 538117201 /nfs/dbraw/zinc/11/72/01/538117201.db2.gz HHTMYESNPSLQPA-UHFFFAOYSA-N 1 0 221.348 2.155 20 30 BEEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)O ZINC000276588671 188380311 /nfs/dbraw/zinc/38/03/11/188380311.db2.gz DBRPQZHUFSWEKI-AWEZNQCLSA-N 1 0 246.354 2.443 20 30 BEEDRO CC(=O)c1ccc(C#N)c(NC[C@H](C)[NH+](C)C)c1 ZINC000277053115 188381289 /nfs/dbraw/zinc/38/12/89/188381289.db2.gz HEIPUPNCOCXHJA-JTQLQIEISA-N 1 0 245.326 2.123 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281360116 353436507 /nfs/dbraw/zinc/43/65/07/353436507.db2.gz LDXBVRASKGJNCH-CQSZACIVSA-N 1 0 231.343 2.361 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000281360111 353436569 /nfs/dbraw/zinc/43/65/69/353436569.db2.gz LDXBVRASKGJNCH-AWEZNQCLSA-N 1 0 231.343 2.361 20 30 BEEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC#Cc1ccccc1 ZINC000191158084 353438518 /nfs/dbraw/zinc/43/85/18/353438518.db2.gz HEVWRWLGWYDZSK-KBPBESRZSA-N 1 0 243.350 2.272 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304678 353484799 /nfs/dbraw/zinc/48/47/99/353484799.db2.gz KLTYACGPNKRSRW-AWEZNQCLSA-N 1 0 231.339 2.283 20 30 BEEDRO C=CCSCC[NH2+]Cc1cccc(O)c1 ZINC000163897652 188396536 /nfs/dbraw/zinc/39/65/36/188396536.db2.gz CUOHSLKOYFZDPQ-UHFFFAOYSA-N 1 0 223.341 2.401 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)c(F)c1 ZINC000342197226 188399488 /nfs/dbraw/zinc/39/94/88/188399488.db2.gz BVWWPOPXFSBWCM-ONGXEEELSA-N 1 0 240.228 2.441 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)[C@H](C)CC)n1 ZINC000282237494 353467085 /nfs/dbraw/zinc/46/70/85/353467085.db2.gz ZUDBUBFKKXCFTF-GFCCVEGCSA-N 1 0 219.332 2.137 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285881354 353547869 /nfs/dbraw/zinc/54/78/69/353547869.db2.gz ZNSGSBAMUXOVJH-SNVBAGLBSA-N 1 0 207.277 2.091 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000192015645 353531844 /nfs/dbraw/zinc/53/18/44/353531844.db2.gz STBWMPQRTWDMOA-GHMZBOCLSA-N 1 0 248.326 2.173 20 30 BEEDRO CCOC1C[NH+](CC(C)(C)CCC#N)C1 ZINC000459576311 324148572 /nfs/dbraw/zinc/14/85/72/324148572.db2.gz ANYGVQCHXRLWIM-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO CC#CCC[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285762975 353550405 /nfs/dbraw/zinc/55/04/05/353550405.db2.gz SJDDPNANDAPQQS-UHFFFAOYSA-N 1 0 248.370 2.447 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192596669 353558950 /nfs/dbraw/zinc/55/89/50/353558950.db2.gz BWMLMOJUECWNEU-LLVKDONJSA-N 1 0 235.331 2.450 20 30 BEEDRO C#CC[N@H+](CC)CC[C@@H](O)c1ccccc1 ZINC000286604919 353563802 /nfs/dbraw/zinc/56/38/02/353563802.db2.gz XZYQWPGAZOZOOF-CQSZACIVSA-N 1 0 217.312 2.065 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000289377375 353626279 /nfs/dbraw/zinc/62/62/79/353626279.db2.gz PQIMLLZFAYNGOC-CYBMUJFWSA-N 1 0 229.323 2.279 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000289372020 353626605 /nfs/dbraw/zinc/62/66/05/353626605.db2.gz LOZZXPXUQMFKPF-CQSZACIVSA-N 1 0 242.322 2.314 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000289377377 353626854 /nfs/dbraw/zinc/62/68/54/353626854.db2.gz PQIMLLZFAYNGOC-ZDUSSCGKSA-N 1 0 229.323 2.279 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000289396238 353627177 /nfs/dbraw/zinc/62/71/77/353627177.db2.gz OBGXKENUTKYMGH-VIFPVBQESA-N 1 0 245.351 2.385 20 30 BEEDRO C#CCC[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000289465517 353629286 /nfs/dbraw/zinc/62/92/86/353629286.db2.gz WJOFAJGWJKRCSN-UHFFFAOYSA-N 1 0 244.338 2.257 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000289566261 353632506 /nfs/dbraw/zinc/63/25/06/353632506.db2.gz ARIFRQLLJZQKEW-ONGXEEELSA-N 1 0 248.351 2.494 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000289764911 353635111 /nfs/dbraw/zinc/63/51/11/353635111.db2.gz QNTGNORJOSEVPA-VIFPVBQESA-N 1 0 226.345 2.204 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000289765776 353635266 /nfs/dbraw/zinc/63/52/66/353635266.db2.gz LVTWQYLYVYDERC-AAEUAGOBSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000289806905 353636559 /nfs/dbraw/zinc/63/65/59/353636559.db2.gz OFTQDELZHQUFCE-IUODEOHRSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000289803032 353636975 /nfs/dbraw/zinc/63/69/75/353636975.db2.gz LBKDIYAAGCWRLX-CQSZACIVSA-N 1 0 249.354 2.358 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000289835043 353639997 /nfs/dbraw/zinc/63/99/97/353639997.db2.gz PNKFTDZERDCUDT-KOLCDFICSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000289861939 353640299 /nfs/dbraw/zinc/64/02/99/353640299.db2.gz QZDAERDXBRVBEO-NWDGAFQWSA-N 1 0 235.327 2.207 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000289929990 353643143 /nfs/dbraw/zinc/64/31/43/353643143.db2.gz SYOHQAOMWJEITC-AWEZNQCLSA-N 1 0 248.370 2.169 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC000289935733 353643239 /nfs/dbraw/zinc/64/32/39/353643239.db2.gz VRVGRJZWZFBZSW-UWVGGRQHSA-N 1 0 239.290 2.032 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1c(C)cnn1C ZINC000290042074 353647019 /nfs/dbraw/zinc/64/70/19/353647019.db2.gz OCTYTIMMBWRTFS-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C#Cc1ccc(C[NH2+]C(CC)(CC)CO)cc1 ZINC000290227559 353652246 /nfs/dbraw/zinc/65/22/46/353652246.db2.gz FOUOMWBSSORIGM-UHFFFAOYSA-N 1 0 231.339 2.309 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000289358569 353614407 /nfs/dbraw/zinc/61/44/07/353614407.db2.gz KBSHHLJGZZUBIU-CQSZACIVSA-N 1 0 212.296 2.306 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1NC(C)=O)C(C)C ZINC000289070509 353617283 /nfs/dbraw/zinc/61/72/83/353617283.db2.gz AEZJSKOMNWBDCA-AWEZNQCLSA-N 1 0 244.338 2.392 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290392118 353662018 /nfs/dbraw/zinc/66/20/18/353662018.db2.gz ORQFEPUUCQDFOL-RKDXNWHRSA-N 1 0 226.345 2.251 20 30 BEEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)CC1(C#N)CC1 ZINC000343318193 353665036 /nfs/dbraw/zinc/66/50/36/353665036.db2.gz XEXJLRYBMOOBRB-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000348216643 366100152 /nfs/dbraw/zinc/10/01/52/366100152.db2.gz DHWXALCHOSAFAX-RKDXNWHRSA-N 1 0 230.258 2.040 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)CC(OC)OC ZINC000136723938 353675029 /nfs/dbraw/zinc/67/50/29/353675029.db2.gz UGHIVGGFESINTM-UHFFFAOYSA-N 1 0 235.327 2.294 20 30 BEEDRO C[N@H+](CC1(C#N)CC1)C(C1CC1)C1CC1 ZINC000343322452 353689298 /nfs/dbraw/zinc/68/92/98/353689298.db2.gz QJYGOEOXYWDYKV-UHFFFAOYSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1c[nH]c2nccnc12 ZINC000291438687 353692416 /nfs/dbraw/zinc/69/24/16/353692416.db2.gz BSFPIQRADDGHPC-NSHDSACASA-N 1 0 230.315 2.402 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000336781937 353698182 /nfs/dbraw/zinc/69/81/82/353698182.db2.gz WCMWFXDBWNXQFI-WDEREUQCSA-N 1 0 226.364 2.234 20 30 BEEDRO CN(CC1(C#N)CC1)[C@H](CCO)c1ccccc1 ZINC000343323205 353698334 /nfs/dbraw/zinc/69/83/34/353698334.db2.gz UGIANHUWVZKFKV-CQSZACIVSA-N 1 0 244.338 2.346 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1occc1C ZINC000292375918 353712482 /nfs/dbraw/zinc/71/24/82/353712482.db2.gz RGTVXANGARNCLV-GFCCVEGCSA-N 1 0 223.316 2.347 20 30 BEEDRO C#CCC[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292509446 353714573 /nfs/dbraw/zinc/71/45/73/353714573.db2.gz VHYWXAXWVYEYKY-LBPRGKRZSA-N 1 0 215.296 2.293 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000320602879 353719715 /nfs/dbraw/zinc/71/97/15/353719715.db2.gz DQICJOPDDYOCJN-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294610828 353785340 /nfs/dbraw/zinc/78/53/40/353785340.db2.gz ILGIHEPNRYSEDI-UHFFFAOYSA-N 1 0 246.310 2.073 20 30 BEEDRO C=CCOCCN(C)Cc1nc2ccccc2o1 ZINC000293852498 353760865 /nfs/dbraw/zinc/76/08/65/353760865.db2.gz RGWYCVYJTLYZAV-UHFFFAOYSA-N 1 0 246.310 2.462 20 30 BEEDRO C=CCOCC[N@H+](Cc1cccnc1)C1CC1 ZINC000293913508 353763512 /nfs/dbraw/zinc/76/35/12/353763512.db2.gz XDYVELBLBFJSMQ-UHFFFAOYSA-N 1 0 232.327 2.249 20 30 BEEDRO C#CC[N@@H+](CCCOC)Cc1ccc(F)cc1 ZINC000065958173 353767309 /nfs/dbraw/zinc/76/73/09/353767309.db2.gz PQYHNIJHLVUAEB-UHFFFAOYSA-N 1 0 235.302 2.297 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1conc1C ZINC000293167065 353736394 /nfs/dbraw/zinc/73/63/94/353736394.db2.gz GBVRWORRXQZXRS-WCQYABFASA-N 1 0 236.315 2.054 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1 ZINC000294910470 353798082 /nfs/dbraw/zinc/79/80/82/353798082.db2.gz ACWURRZSGFFLKD-GFCCVEGCSA-N 1 0 231.339 2.307 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1 ZINC000294910478 353798191 /nfs/dbraw/zinc/79/81/91/353798191.db2.gz ACWURRZSGFFLKD-LBPRGKRZSA-N 1 0 231.339 2.307 20 30 BEEDRO C[C@@H]([N@H+](C)CC#Cc1ccc(F)cc1)C(C)(C)O ZINC000295132482 353802595 /nfs/dbraw/zinc/80/25/95/353802595.db2.gz JYWICFUKJHDKJE-GFCCVEGCSA-N 1 0 249.329 2.268 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000295690355 353812038 /nfs/dbraw/zinc/81/20/38/353812038.db2.gz IEFAEDFCPCRRPW-CQSZACIVSA-N 1 0 219.328 2.362 20 30 BEEDRO C#CC[N@@H+](C[C@@H](Cc1ccccc1)OC)C1CC1 ZINC000295869065 353816462 /nfs/dbraw/zinc/81/64/62/353816462.db2.gz YUSSYUGGMCNAJV-MRXNPFEDSA-N 1 0 243.350 2.342 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000296129604 353818825 /nfs/dbraw/zinc/81/88/25/353818825.db2.gz UIHRRBSYGICCCG-RNCFNFMXSA-N 1 0 241.281 2.205 20 30 BEEDRO CC#CC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296265635 353821666 /nfs/dbraw/zinc/82/16/66/353821666.db2.gz MBPULYJCWCBMEB-CYBMUJFWSA-N 1 0 237.730 2.329 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294810336 353789799 /nfs/dbraw/zinc/78/97/99/353789799.db2.gz NTXFEPSNGRODAZ-NXEZZACHSA-N 1 0 234.347 2.372 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1 ZINC000294807164 353790467 /nfs/dbraw/zinc/79/04/67/353790467.db2.gz NLWZWANDPWYIGS-CQSZACIVSA-N 1 0 229.323 2.325 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000092085413 353859641 /nfs/dbraw/zinc/85/96/41/353859641.db2.gz CYXXWWSIELWBJU-QWRGUYRKSA-N 1 0 215.300 2.041 20 30 BEEDRO CN(C)[C@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000343433443 353885109 /nfs/dbraw/zinc/88/51/09/353885109.db2.gz VBVFVVGCBVSLNX-CYBMUJFWSA-N 1 0 237.391 2.246 20 30 BEEDRO C=CC(C)(C)CCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000627105723 363266108 /nfs/dbraw/zinc/26/61/08/363266108.db2.gz DCGXWRSDRIZXHQ-MNOVXSKESA-N 1 0 241.379 2.014 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000343538105 353916895 /nfs/dbraw/zinc/91/68/95/353916895.db2.gz SDFRTBHAJKZCFR-UHFFFAOYSA-N 1 0 232.327 2.267 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000343556899 353920992 /nfs/dbraw/zinc/92/09/92/353920992.db2.gz LYXAQSNGQVNUGB-JSGCOSHPSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000343767672 353981086 /nfs/dbraw/zinc/98/10/86/353981086.db2.gz NAGSSNFMSJZBBM-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO CC[N@H+](CCC(C)(C)OC)C[C@@H](C)C#N ZINC000230413967 363306586 /nfs/dbraw/zinc/30/65/86/363306586.db2.gz LBHWCMPDMNHWFA-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc(C#N)cn1 ZINC000232887340 354045728 /nfs/dbraw/zinc/04/57/28/354045728.db2.gz IQRFDUGHUZVPAG-GFCCVEGCSA-N 1 0 244.342 2.143 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC000335285781 181060953 /nfs/dbraw/zinc/06/09/53/181060953.db2.gz GVCKIUJAVOIUFH-MFKMUULPSA-N 1 0 240.310 2.345 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000334569913 354096782 /nfs/dbraw/zinc/09/67/82/354096782.db2.gz PWPLGLUHJVBJPZ-QWHCGFSZSA-N 1 0 236.359 2.354 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC(F)F)CC1 ZINC000334561427 354115643 /nfs/dbraw/zinc/11/56/43/354115643.db2.gz KLDXLEZVZUOMFQ-UHFFFAOYSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@H]1C[C@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000334561909 354116243 /nfs/dbraw/zinc/11/62/43/354116243.db2.gz GUDOTLDQMJJLNI-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000308880108 181069928 /nfs/dbraw/zinc/06/99/28/181069928.db2.gz PPVNSKSOGCSLKD-WPRPVWTQSA-N 1 0 214.259 2.314 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000308884320 181070128 /nfs/dbraw/zinc/07/01/28/181070128.db2.gz RVOPKPBHYWNWOE-RYUDHWBXSA-N 1 0 224.373 2.411 20 30 BEEDRO N#Cc1c(F)cccc1OCC1CC[NH2+]CC1 ZINC000051869830 181077402 /nfs/dbraw/zinc/07/74/02/181077402.db2.gz IISMVLIRSSAVEB-UHFFFAOYSA-N 1 0 234.274 2.076 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000020311978 166388991 /nfs/dbraw/zinc/38/89/91/166388991.db2.gz IFGPBASSHDIOBI-NEPJUHHUSA-N 1 0 232.327 2.028 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N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c(F)c1 ZINC000052013050 181109017 /nfs/dbraw/zinc/10/90/17/181109017.db2.gz JOXQVBJLEAZPOT-ZIAGYGMSSA-N 1 0 248.301 2.090 20 30 BEEDRO C=CCCC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344693399 354335871 /nfs/dbraw/zinc/33/58/71/354335871.db2.gz SGDXYMOCBOIVOF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000038043853 181109219 /nfs/dbraw/zinc/10/92/19/181109219.db2.gz WWESVSPZKAGDLD-CQSZACIVSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000306092633 181110184 /nfs/dbraw/zinc/11/01/84/181110184.db2.gz KPAAYCUAYZNBDT-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCSC2)c(F)c1 ZINC000167373611 181110252 /nfs/dbraw/zinc/11/02/52/181110252.db2.gz CBXPPIILHSSFOP-NSHDSACASA-N 1 0 236.315 2.292 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@H](C3CC3)C2)o1 ZINC000156971696 181110280 /nfs/dbraw/zinc/11/02/80/181110280.db2.gz JBFXOCMUPCVKSR-FZMZJTMJSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)o1 ZINC000268976816 181110288 /nfs/dbraw/zinc/11/02/88/181110288.db2.gz PFRCMTFTKNQHBU-NSHDSACASA-N 1 0 246.310 2.343 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCCO)c1ccccc1 ZINC000178755902 366160786 /nfs/dbraw/zinc/16/07/86/366160786.db2.gz AJCYFNHCNYIJIQ-OAHLLOKOSA-N 1 0 249.354 2.292 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)s1 ZINC000375308641 181104031 /nfs/dbraw/zinc/10/40/31/181104031.db2.gz JJSYUXBIJGFRRF-CYBMUJFWSA-N 1 0 248.351 2.375 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)o1 ZINC000336337829 181104936 /nfs/dbraw/zinc/10/49/36/181104936.db2.gz YMAWOAXHSVNQPY-VXGBXAGGSA-N 1 0 246.310 2.010 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(C(F)F)CC2)o1 ZINC000309649728 181107432 /nfs/dbraw/zinc/10/74/32/181107432.db2.gz SGMQGECZYWYADN-UHFFFAOYSA-N 1 0 226.226 2.286 20 30 BEEDRO N#Cc1ccc(NCC[NH+]2CCCCCC2)nc1 ZINC000040433127 181121170 /nfs/dbraw/zinc/12/11/70/181121170.db2.gz BRWQTQMUPGUQFS-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO N#Cc1ccc(Cl)cc1OC[C@@H]1CC[NH2+]C1 ZINC000062786610 181111732 /nfs/dbraw/zinc/11/17/32/181111732.db2.gz WBZZJSHUFSKBNK-SECBINFHSA-N 1 0 236.702 2.200 20 30 BEEDRO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCCC2)nc1 ZINC000130854502 181124212 /nfs/dbraw/zinc/12/42/12/181124212.db2.gz QYEVCXAVGPJYCS-ZDUSSCGKSA-N 1 0 244.342 2.273 20 30 BEEDRO N#Cc1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000062791671 181129018 /nfs/dbraw/zinc/12/90/18/181129018.db2.gz YBRBWTGHSIYAJO-JTQLQIEISA-N 1 0 236.702 2.342 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC000353276805 181132684 /nfs/dbraw/zinc/13/26/84/181132684.db2.gz SMLFWDVXSWLSSK-WFASDCNBSA-N 1 0 242.322 2.172 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CCC2(C)C)C1=O ZINC000334692582 354482436 /nfs/dbraw/zinc/48/24/36/354482436.db2.gz SMABRGYKJKXMAB-NEPJUHHUSA-N 1 0 236.359 2.036 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCF)CC2 ZINC000336367390 181132337 /nfs/dbraw/zinc/13/23/37/181132337.db2.gz FDHWLFXBIOOFBX-GFCCVEGCSA-N 1 0 204.248 2.105 20 30 BEEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CCCO ZINC000360823612 181132393 /nfs/dbraw/zinc/13/23/93/181132393.db2.gz WKHSQUASHPPIDM-OAHLLOKOSA-N 1 0 244.338 2.298 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC000353276802 181132410 /nfs/dbraw/zinc/13/24/10/181132410.db2.gz SMLFWDVXSWLSSK-DOMZBBRYSA-N 1 0 242.322 2.172 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1 ZINC000352706355 181137895 /nfs/dbraw/zinc/13/78/95/181137895.db2.gz MYQDGYKERZDILZ-OAHLLOKOSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2CCOCC2)c1 ZINC000051924438 181138075 /nfs/dbraw/zinc/13/80/75/181138075.db2.gz QVXCOCXVDRWIEZ-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000077204533 181138127 /nfs/dbraw/zinc/13/81/27/181138127.db2.gz SDHSFLPLYAHDGX-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189973837 181138447 /nfs/dbraw/zinc/13/84/47/181138447.db2.gz NOXYIQDQAKNWPH-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(N2CCc3c[nH+]ccc32)n1 ZINC000339212322 181138841 /nfs/dbraw/zinc/13/88/41/181138841.db2.gz BURNOYSMPZHUPI-UHFFFAOYSA-N 1 0 222.251 2.042 20 30 BEEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000334735623 354536846 /nfs/dbraw/zinc/53/68/46/354536846.db2.gz RIOXOILSBSXSRZ-MRFPXMQZSA-N 1 0 236.359 2.208 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000334739365 354542923 /nfs/dbraw/zinc/54/29/23/354542923.db2.gz SRXMQZOUTOTWOT-JSGCOSHPSA-N 1 0 229.327 2.480 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000037749327 181137698 /nfs/dbraw/zinc/13/76/98/181137698.db2.gz SHFFFAVMOHCOJH-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCSC2)c1 ZINC000037748515 181137789 /nfs/dbraw/zinc/13/77/89/181137789.db2.gz LOTKRHFNVJSJAS-GFCCVEGCSA-N 1 0 218.325 2.153 20 30 BEEDRO N#Cc1ccccc1CN1CCOC[C@H]1C1CC1 ZINC000090007752 181145950 /nfs/dbraw/zinc/14/59/50/181145950.db2.gz JIHNFYRVJVJBBS-HNNXBMFYSA-N 1 0 242.322 2.169 20 30 BEEDRO CC[N@@H+]1C[C@@H](C)N(CCC(C)(C)C#N)C[C@H]1C ZINC000345930916 354811689 /nfs/dbraw/zinc/81/16/89/354811689.db2.gz CCHKEEQQJGDVAQ-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(CCC(C)(C)C#N)C[C@H]1C ZINC000345930917 354811717 /nfs/dbraw/zinc/81/17/17/354811717.db2.gz CCHKEEQQJGDVAQ-OLZOCXBDSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@H](C)CN1C ZINC000351957902 134017354 /nfs/dbraw/zinc/01/73/54/134017354.db2.gz IRNNMQXSGDNSLK-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CCCCC#N)C1(C)C ZINC000234839480 363433367 /nfs/dbraw/zinc/43/33/67/363433367.db2.gz HDTAJFMSCYNEIC-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449753857 202021718 /nfs/dbraw/zinc/02/17/18/202021718.db2.gz KBTBVRGAAVVDAA-RWMBFGLXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=C[C@H]1CCCCN1Cc1cnns1 ZINC000335198741 355032003 /nfs/dbraw/zinc/03/20/03/355032003.db2.gz ZTRQWMGTWFRQKO-VIFPVBQESA-N 1 0 209.318 2.079 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CC(n2cccn2)C1 ZINC000639227516 355105873 /nfs/dbraw/zinc/10/58/73/355105873.db2.gz CGRSUJKQAIAWOR-UHFFFAOYSA-N 1 0 219.332 2.388 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639228775 355106855 /nfs/dbraw/zinc/10/68/55/355106855.db2.gz PDQKNRJMQCKFHJ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO N#CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000346805697 355110204 /nfs/dbraw/zinc/11/02/04/355110204.db2.gz ZKHOIYGJMRUUQM-JHJVBQTASA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC(C)C)C1CCCC1 ZINC000346739155 355090321 /nfs/dbraw/zinc/09/03/21/355090321.db2.gz UVDFMMCEBADQDY-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2(C#N)CCC2)[C@@H](C)C1 ZINC000335237422 355099050 /nfs/dbraw/zinc/09/90/50/355099050.db2.gz XSXOPPVYWPDNRN-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@H]1CC[N@H+](CC2(C#N)CCC2)[C@@H](C)C1 ZINC000335237423 355099509 /nfs/dbraw/zinc/09/95/09/355099509.db2.gz XSXOPPVYWPDNRN-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)c1c(C)nn(C)c1C ZINC000346839983 355133299 /nfs/dbraw/zinc/13/32/99/355133299.db2.gz UBBZZFOJGJMTIP-LBPRGKRZSA-N 1 0 234.347 2.381 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639233317 355214401 /nfs/dbraw/zinc/21/44/01/355214401.db2.gz XZPJRHAJRQVVIL-MMWGEVLESA-N 1 0 231.286 2.353 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639232912 355214517 /nfs/dbraw/zinc/21/45/17/355214517.db2.gz QZCSGDCNSVZCAT-YFKTTZPYSA-N 1 0 227.373 2.204 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639233316 355214579 /nfs/dbraw/zinc/21/45/79/355214579.db2.gz XZPJRHAJRQVVIL-DBIOUOCHSA-N 1 0 231.286 2.353 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000346993994 355192687 /nfs/dbraw/zinc/19/26/87/355192687.db2.gz BMHJYRARRPNYFX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347666105 355256725 /nfs/dbraw/zinc/25/67/25/355256725.db2.gz RGSSTQQKPSHEEV-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCO1 ZINC000414168726 191450623 /nfs/dbraw/zinc/45/06/23/191450623.db2.gz RAUBROZZULYYJY-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639273361 355346271 /nfs/dbraw/zinc/34/62/71/355346271.db2.gz BMKZXFILGHUWLQ-RHYQMDGZSA-N 1 0 227.373 2.061 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000361742488 355415880 /nfs/dbraw/zinc/41/58/80/355415880.db2.gz FXSZBGWSWNJGGV-OLZOCXBDSA-N 1 0 239.359 2.126 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000414517216 191526188 /nfs/dbraw/zinc/52/61/88/191526188.db2.gz QDVPMYJJFXGAPP-TYNCELHUSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000623239842 355397942 /nfs/dbraw/zinc/39/79/42/355397942.db2.gz VFFWTECZFPIFJR-WDEREUQCSA-N 1 0 219.332 2.369 20 30 BEEDRO CCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000349799265 355465050 /nfs/dbraw/zinc/46/50/50/355465050.db2.gz HNJYPBQAYUXKLJ-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000349813781 355467997 /nfs/dbraw/zinc/46/79/97/355467997.db2.gz PZKGECJQLXTIGR-STQMWFEESA-N 1 0 230.311 2.477 20 30 BEEDRO N#C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000335809229 355483483 /nfs/dbraw/zinc/48/34/83/355483483.db2.gz TWAMDTKELGMUSZ-MFKMUULPSA-N 1 0 240.310 2.345 20 30 BEEDRO C=C1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000335823067 355543564 /nfs/dbraw/zinc/54/35/64/355543564.db2.gz LNEIAKQJTRGWTR-UHFFFAOYSA-N 1 0 236.359 2.041 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC#Cc1ccccc1 ZINC000335823379 355544450 /nfs/dbraw/zinc/54/44/50/355544450.db2.gz UOYLXLSISDHWEK-GJZGRUSLSA-N 1 0 242.366 2.063 20 30 BEEDRO C=C(C)CC[N@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000352030386 134045128 /nfs/dbraw/zinc/04/51/28/134045128.db2.gz VRZUOMLKVUFYFW-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000335828267 355554313 /nfs/dbraw/zinc/55/43/13/355554313.db2.gz GGCQBTHMMLZLHW-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000582183809 355659418 /nfs/dbraw/zinc/65/94/18/355659418.db2.gz AYAUQLOPTSZVGA-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@]2(OC)CCOC2)C1 ZINC000639310477 355669037 /nfs/dbraw/zinc/66/90/37/355669037.db2.gz PKXMBXMQTSVAGC-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000335860402 355623045 /nfs/dbraw/zinc/62/30/45/355623045.db2.gz VXPWBQJOWKHVTB-UHFFFAOYSA-N 1 0 227.373 2.161 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000639316149 355708493 /nfs/dbraw/zinc/70/84/93/355708493.db2.gz MXHYPPCIPHDGKO-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cc(C)ns1 ZINC000639317727 355709099 /nfs/dbraw/zinc/70/90/99/355709099.db2.gz UYNNTZORVMOXRN-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(CCC)c1)C1CC1 ZINC000350316777 355672514 /nfs/dbraw/zinc/67/25/14/355672514.db2.gz LUFKKNZVLPMLNW-UHFFFAOYSA-N 1 0 219.332 2.444 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)CC(C)C ZINC000417365368 191801152 /nfs/dbraw/zinc/80/11/52/191801152.db2.gz MSEYKYOHBLPRMI-AGIUHOORSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CCO1 ZINC000399125860 355748642 /nfs/dbraw/zinc/74/86/42/355748642.db2.gz KBTLTCDMETVMOE-DOMZBBRYSA-N 1 0 244.338 2.410 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(COC)CCOCC1 ZINC000425936138 191808782 /nfs/dbraw/zinc/80/87/82/191808782.db2.gz LHJDHNUZKUCTHX-ZDUSSCGKSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2ccccn2)CC1 ZINC000106245899 355772083 /nfs/dbraw/zinc/77/20/83/355772083.db2.gz AVRBZOJWOZJMHI-UHFFFAOYSA-N 1 0 245.370 2.212 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(OC)no1 ZINC000639325035 355726753 /nfs/dbraw/zinc/72/67/53/355726753.db2.gz QOHQVZWINVLKFM-VHSXEESVSA-N 1 0 224.304 2.374 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC000106408791 355774778 /nfs/dbraw/zinc/77/47/78/355774778.db2.gz HRHRDRFCYFMQSA-CQSZACIVSA-N 1 0 244.338 2.193 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000639349271 355790573 /nfs/dbraw/zinc/79/05/73/355790573.db2.gz WXALEWRVTSPKMX-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO N#CCCNC1CC[NH+](C2CCCCC2)CC1 ZINC000425986647 191841054 /nfs/dbraw/zinc/84/10/54/191841054.db2.gz GFEROGOINAEQIH-UHFFFAOYSA-N 1 0 235.375 2.287 20 30 BEEDRO CC[NH+](CC)CCNc1cccc(F)c1C#N ZINC000035134917 355842623 /nfs/dbraw/zinc/84/26/23/355842623.db2.gz SXRBWTCCWRHEKM-UHFFFAOYSA-N 1 0 235.306 2.451 20 30 BEEDRO C=CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000631646621 355848144 /nfs/dbraw/zinc/84/81/44/355848144.db2.gz MAFJCQYAOQAGLE-AVGNSLFASA-N 1 0 221.344 2.500 20 30 BEEDRO CC#CCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000336030402 134058161 /nfs/dbraw/zinc/05/81/61/134058161.db2.gz MENXPLRBQPWDKK-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000336053515 134061622 /nfs/dbraw/zinc/06/16/22/134061622.db2.gz ZDOGDMZLEAWOCT-RYUDHWBXSA-N 1 0 240.310 2.116 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]Cc1ncnn1CC ZINC000639382036 355926281 /nfs/dbraw/zinc/92/62/81/355926281.db2.gz VLOSHVDFRFNPMS-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO CCOc1cccc(CN(C)C[C@H](C)C#N)n1 ZINC000352096746 134063144 /nfs/dbraw/zinc/06/31/44/134063144.db2.gz JMRUDGDBSLIVJV-LLVKDONJSA-N 1 0 233.315 2.072 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnn2ccccc12 ZINC000386697804 355885094 /nfs/dbraw/zinc/88/50/94/355885094.db2.gz MATNNNGTAAOCHV-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(C)(C)O ZINC000087817825 355900765 /nfs/dbraw/zinc/90/07/65/355900765.db2.gz GCWWHJLFUUTALD-WDEREUQCSA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351424418 355988602 /nfs/dbraw/zinc/98/86/02/355988602.db2.gz VZWGPEWITSQKHW-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351233001 355964995 /nfs/dbraw/zinc/96/49/95/355964995.db2.gz YKQSZWHRLXVLPE-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351233003 355965032 /nfs/dbraw/zinc/96/50/32/355965032.db2.gz YKQSZWHRLXVLPE-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000351273180 355970704 /nfs/dbraw/zinc/97/07/04/355970704.db2.gz VTBJCRCDLHZXRT-QWHCGFSZSA-N 1 0 229.364 2.059 20 30 BEEDRO C[C@H](CCC#N)N1CCC([NH+]2CCCC2)CC1 ZINC000351614938 356028804 /nfs/dbraw/zinc/02/88/04/356028804.db2.gz JIPIYVNLPMZQJX-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617552860 356109396 /nfs/dbraw/zinc/10/93/96/356109396.db2.gz WLPZNXYMXNUDDM-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000351742057 356078450 /nfs/dbraw/zinc/07/84/50/356078450.db2.gz SWZCKAFQUOFEFJ-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000335915538 356155073 /nfs/dbraw/zinc/15/50/73/356155073.db2.gz CCLGPDNNARHKFF-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC(C)(C)CNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418250475 192007505 /nfs/dbraw/zinc/00/75/05/192007505.db2.gz LMNOKIUTJTYMNH-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639484875 356300794 /nfs/dbraw/zinc/30/07/94/356300794.db2.gz AAFZICANDMDFBK-AAEUAGOBSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000617783579 356355201 /nfs/dbraw/zinc/35/52/01/356355201.db2.gz CATVFSQYHSJZIH-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000617784014 356358912 /nfs/dbraw/zinc/35/89/12/356358912.db2.gz LPBYKMNEKXTIJC-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCOc1ccc(CNCc2cc[nH]n2)cc1 ZINC000041014652 358505098 /nfs/dbraw/zinc/50/50/98/358505098.db2.gz CLEQQVRXJCHARV-UHFFFAOYSA-N 1 0 243.310 2.264 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000333449579 134109732 /nfs/dbraw/zinc/10/97/32/134109732.db2.gz LNZCKZKYDOFTAV-ADEWGFFLSA-N 1 0 230.315 2.069 20 30 BEEDRO CCOC1CC[NH+](CCCCC#N)CC1 ZINC000049579421 356489309 /nfs/dbraw/zinc/48/93/09/356489309.db2.gz BOWSWCDKSWZRTF-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C[N@H+](CCCCO)CCCC(C)(C)C#N ZINC000349923007 366242381 /nfs/dbraw/zinc/24/23/81/366242381.db2.gz UQQCJTLCQXQYSQ-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C[C@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336169902 134114889 /nfs/dbraw/zinc/11/48/89/134114889.db2.gz WTNLFAKBBHVOBS-GXFFZTMASA-N 1 0 243.310 2.476 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000421019448 192304949 /nfs/dbraw/zinc/30/49/49/192304949.db2.gz NFZAZCCBOOMQCB-DOMZBBRYSA-N 1 0 247.313 2.022 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CC)C(=O)NC ZINC000449780767 202036209 /nfs/dbraw/zinc/03/62/09/202036209.db2.gz VOUMQAWCMAUGDR-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421012360 192302492 /nfs/dbraw/zinc/30/24/92/192302492.db2.gz IAEYUZQNOWONHD-CYBMUJFWSA-N 1 0 224.348 2.165 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cnc2cnccn12 ZINC000336198343 134127141 /nfs/dbraw/zinc/12/71/41/134127141.db2.gz HLTGOLQKOCQAOV-GFCCVEGCSA-N 1 0 242.326 2.270 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421349802 192319435 /nfs/dbraw/zinc/31/94/35/192319435.db2.gz JMAISTLOOYGVCQ-JHJVBQTASA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC1(CC(N)=O)CC1 ZINC000421349828 192319608 /nfs/dbraw/zinc/31/96/08/192319608.db2.gz JSQXTPWQSJGVIF-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000352283408 134132251 /nfs/dbraw/zinc/13/22/51/134132251.db2.gz DWQDMXQOWJIGFI-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000449936882 202056443 /nfs/dbraw/zinc/05/64/43/202056443.db2.gz FGTQKTRCTRVSCO-LLVKDONJSA-N 1 0 240.391 2.291 20 30 BEEDRO C[N@H+](Cc1ccccn1)[C@H]1CC[C@H](C#N)C1 ZINC000336276570 134142090 /nfs/dbraw/zinc/14/20/90/134142090.db2.gz UWQDMBAWFIAHEZ-AAEUAGOBSA-N 1 0 215.300 2.206 20 30 BEEDRO C[NH+]1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000336279648 134141807 /nfs/dbraw/zinc/14/18/07/134141807.db2.gz FNUUFKSVWQPZKZ-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000336305442 134142942 /nfs/dbraw/zinc/14/29/42/134142942.db2.gz KFYZBAWVFWXPGA-OAHLLOKOSA-N 1 0 229.389 2.186 20 30 BEEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC(C)(C)O1 ZINC000088259451 356644028 /nfs/dbraw/zinc/64/40/28/356644028.db2.gz OWTVVOTZOQPOGS-NSHDSACASA-N 1 0 222.332 2.180 20 30 BEEDRO CCC#C[C@@H](C)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639746358 356639084 /nfs/dbraw/zinc/63/90/84/356639084.db2.gz DWTOSPCPLBETQA-ZIAGYGMSSA-N 1 0 236.403 2.450 20 30 BEEDRO CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@H](C)C#N ZINC000450340167 202134793 /nfs/dbraw/zinc/13/47/93/202134793.db2.gz UVWJGAUDVBGSIH-ZIAGYGMSSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@H]1C[C@@H](C[N@H+](CCC#N)CC2CC2)CCO1 ZINC000352712007 134151312 /nfs/dbraw/zinc/15/13/12/134151312.db2.gz BPCOOPUZTQUMKQ-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1C[C@H](C[N@H+](CCC#N)CC2CC2)CCO1 ZINC000352712009 134151526 /nfs/dbraw/zinc/15/15/26/134151526.db2.gz BPCOOPUZTQUMKQ-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO CSCCC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000578140482 366320626 /nfs/dbraw/zinc/32/06/26/366320626.db2.gz KLEOSKAFAPYEAJ-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO C=C(C)COCCNc1cc[nH+]c(C)c1 ZINC000168012953 134155242 /nfs/dbraw/zinc/15/52/42/134155242.db2.gz KVFAPANBUCVQIJ-UHFFFAOYSA-N 1 0 206.289 2.395 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353076907 134160135 /nfs/dbraw/zinc/16/01/35/134160135.db2.gz CRGUSCBKSRPZCG-RYUDHWBXSA-N 1 0 232.327 2.380 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000353492675 134164020 /nfs/dbraw/zinc/16/40/20/134164020.db2.gz XWPZTSGNHAIKFF-AWEZNQCLSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1OCC ZINC000353569427 134164315 /nfs/dbraw/zinc/16/43/15/134164315.db2.gz CQUVMQOZSREBIE-RYUDHWBXSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccccc1OCC ZINC000353569428 134164466 /nfs/dbraw/zinc/16/44/66/134164466.db2.gz CQUVMQOZSREBIE-VXGBXAGGSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCC1(O)CCOCC1 ZINC000353823538 134165252 /nfs/dbraw/zinc/16/52/52/134165252.db2.gz VOXJDOXMHASZJR-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(O)CCOCC1 ZINC000353862273 134165462 /nfs/dbraw/zinc/16/54/62/134165462.db2.gz GHQDXTDLXVDDKN-OLZOCXBDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[N@H+](CCO)CCc1ccccc1 ZINC000112698911 356700870 /nfs/dbraw/zinc/70/08/70/356700870.db2.gz BCFWSRXUZUQHDB-UHFFFAOYSA-N 1 0 219.328 2.100 20 30 BEEDRO N#CCSCCCN1CCC[C@H]1C(F)F ZINC000353169932 134162340 /nfs/dbraw/zinc/16/23/40/134162340.db2.gz KKQMBDVVJIXKOU-VIFPVBQESA-N 1 0 234.315 2.363 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@](C)(O)C(C)=O ZINC000450428888 202161616 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356760406 /nfs/dbraw/zinc/76/04/06/356760406.db2.gz ROQHGWWFNLROGV-QWHCGFSZSA-N 1 0 246.358 2.054 20 30 BEEDRO CC[C@H]1C[N@H+](CC(C)(C)CCC#N)C[C@H]1O ZINC000355183635 134172144 /nfs/dbraw/zinc/17/21/44/134172144.db2.gz GHNOSOBXRVBXHS-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[N@H+](CCCO)[C@H](C)c1ccc(C#N)cc1 ZINC000054340298 363567509 /nfs/dbraw/zinc/56/75/09/363567509.db2.gz ZCEOGBNFOHZKDL-GFCCVEGCSA-N 1 0 232.327 2.324 20 30 BEEDRO C=CCOCC[NH2+]CC1(OC)CCCCC1 ZINC000381655467 538680170 /nfs/dbraw/zinc/68/01/70/538680170.db2.gz FEHUUJNUCCSAHN-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623924660 356799963 /nfs/dbraw/zinc/79/99/63/356799963.db2.gz JMKGOIZYZHXUMJ-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[N@@H+](CC)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639821294 356803459 /nfs/dbraw/zinc/80/34/59/356803459.db2.gz UYSHEVIAGBXXQM-SNVBAGLBSA-N 1 0 236.281 2.131 20 30 BEEDRO C[C@@H]([NH2+]Cc1cnc[nH]1)c1cccc(C#N)c1 ZINC000088750853 356807827 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356994720 /nfs/dbraw/zinc/99/47/20/356994720.db2.gz ICSXXOQEOOEWDG-TUAOUCFPSA-N 1 0 209.333 2.191 20 30 BEEDRO CC[C@H]1C[C@@H](C[N@H+](CC)CCC#N)CCO1 ZINC000356926194 134181144 /nfs/dbraw/zinc/18/11/44/134181144.db2.gz SHJYVYYRPAFCQF-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639870194 357026276 /nfs/dbraw/zinc/02/62/76/357026276.db2.gz CKKPANBLAWEADE-UHFFFAOYSA-N 1 0 232.302 2.423 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCCC#N ZINC000389847032 357052850 /nfs/dbraw/zinc/05/28/50/357052850.db2.gz REEKDIQNNBMSJP-HIFRSBDPSA-N 1 0 243.354 2.010 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CC1(CC)CCOCC1 ZINC000389658215 357012017 /nfs/dbraw/zinc/01/20/17/357012017.db2.gz ZYHLMBVFRMTGDA-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H](O)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000390616114 357107429 /nfs/dbraw/zinc/10/74/29/357107429.db2.gz GXLZKYZPBXUBAZ-WCQYABFASA-N 1 0 218.300 2.002 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCSCCOC ZINC000582368563 357109824 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134239443 /nfs/dbraw/zinc/23/94/43/134239443.db2.gz OZOPKBIDVHMLSO-STQMWFEESA-N 1 0 243.416 2.387 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000305081183 134239519 /nfs/dbraw/zinc/23/95/19/134239519.db2.gz MLYMWFMLKNJDQW-KBPBESRZSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000305081668 134239623 /nfs/dbraw/zinc/23/96/23/134239623.db2.gz MPABYQKNUFUIQF-UPJWGTAASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CC)C1 ZINC000305073615 134239851 /nfs/dbraw/zinc/23/98/51/134239851.db2.gz KFEBBWQOWISMAQ-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000375743476 134240851 /nfs/dbraw/zinc/24/08/51/134240851.db2.gz OEFGJTKRMUBDON-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000639994520 358034120 /nfs/dbraw/zinc/03/41/20/358034120.db2.gz BCRMUNVUOAUCED-ONGXEEELSA-N 1 0 240.372 2.429 20 30 BEEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CCC(C)(C)C#N ZINC000305686610 134242144 /nfs/dbraw/zinc/24/21/44/134242144.db2.gz QAEDCTYYLLIHHN-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO CC#CC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639983797 358026168 /nfs/dbraw/zinc/02/61/68/358026168.db2.gz CSNYQTUFGHRMNE-UHFFFAOYSA-N 1 0 234.368 2.421 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1c(F)cc(C#N)cc1F ZINC000168796835 134247585 /nfs/dbraw/zinc/24/75/85/134247585.db2.gz LVPDBMFDWIFVSO-MRVPVSSYSA-N 1 0 239.269 2.198 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000264067856 535389589 /nfs/dbraw/zinc/38/95/89/535389589.db2.gz FIFBLISLYMADIF-ZDUSSCGKSA-N 1 0 249.358 2.031 20 30 BEEDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C#N)nc1 ZINC000610715945 358097878 /nfs/dbraw/zinc/09/78/78/358097878.db2.gz IJISSILSUWXBQC-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[C@@H](C[NH+]1CCCC1)Nc1cccc(C#N)n1 ZINC000610715993 358098087 /nfs/dbraw/zinc/09/80/87/358098087.db2.gz XYVDTBQCRKAZJV-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C#N)nc1 ZINC000610715946 358098239 /nfs/dbraw/zinc/09/82/39/358098239.db2.gz IJISSILSUWXBQC-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044124 358129635 /nfs/dbraw/zinc/12/96/35/358129635.db2.gz NLBHKPBDTDMZAT-VHSXEESVSA-N 1 0 237.265 2.055 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000610741114 358133715 /nfs/dbraw/zinc/13/37/15/358133715.db2.gz IEKDOIQBQOPKJM-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)C1CC1 ZINC000631668900 358114927 /nfs/dbraw/zinc/11/49/27/358114927.db2.gz BYQYSSIJOHTISV-UHTWSYAYSA-N 1 0 209.333 2.092 20 30 BEEDRO CC[C@]1(O)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000640036419 358136595 /nfs/dbraw/zinc/13/65/95/358136595.db2.gz RWMKUTPTKDGLGB-INIZCTEOSA-N 1 0 243.350 2.275 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640092047 358184718 /nfs/dbraw/zinc/18/47/18/358184718.db2.gz RPAVZXLHUDUNKC-XQQFMLRXSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 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ZINC000053069972 358415982 /nfs/dbraw/zinc/41/59/82/358415982.db2.gz ZDEWMRREDVAHNJ-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO CC[N@H+](Cc1ccnc(C#N)c1)C1CCC1 ZINC000610993137 358424335 /nfs/dbraw/zinc/42/43/35/358424335.db2.gz DWLYXHBRAKVYFD-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccn1 ZINC000610992656 358424402 /nfs/dbraw/zinc/42/44/02/358424402.db2.gz XVSLYRIEEDGPKQ-AWEZNQCLSA-N 1 0 227.311 2.328 20 30 BEEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)[C@H]1CO ZINC000300120346 358434017 /nfs/dbraw/zinc/43/40/17/358434017.db2.gz NBKUEAQUWCPYFK-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000125486125 358540026 /nfs/dbraw/zinc/54/00/26/358540026.db2.gz SMYCBRPAIOXTFM-LBPRGKRZSA-N 1 0 217.312 2.326 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cccnc1 ZINC000125715814 358544007 /nfs/dbraw/zinc/54/40/07/358544007.db2.gz JNSQYEDKGJPOQC-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)N[C@@H](C)CC ZINC000126792444 358554605 /nfs/dbraw/zinc/55/46/05/358554605.db2.gz VHLOUHRBCQLJJW-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000611072185 358582026 /nfs/dbraw/zinc/58/20/26/358582026.db2.gz AHHMQUSUELPOJT-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000611072186 358582212 /nfs/dbraw/zinc/58/22/12/358582212.db2.gz AHHMQUSUELPOJT-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC[N@@H+](CCC(=O)NCC)Cc1ccccc1 ZINC000046517032 358577959 /nfs/dbraw/zinc/57/79/59/358577959.db2.gz SHJHAAZLVHGRIQ-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C=C)CC1 ZINC000128635952 358578811 /nfs/dbraw/zinc/57/88/11/358578811.db2.gz AYILJRFYYVSLNW-CYBMUJFWSA-N 1 0 209.333 2.212 20 30 BEEDRO CO[C@@]1(C)C[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000125197162 358535352 /nfs/dbraw/zinc/53/53/52/358535352.db2.gz JAABBNZYPJKIOY-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO CCN1CCC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000135161387 325398153 /nfs/dbraw/zinc/39/81/53/325398153.db2.gz ZSXHUCNTOATTHA-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353235631 358584641 /nfs/dbraw/zinc/58/46/41/358584641.db2.gz CBKWQPZXBJRZCA-HUUCEWRRSA-N 1 0 244.338 2.152 20 30 BEEDRO CCS[C@H]1CCCC[N@H+](CC#CCOC)C1 ZINC000611080210 358597280 /nfs/dbraw/zinc/59/72/80/358597280.db2.gz INPKKUSNPIWYHS-ZDUSSCGKSA-N 1 0 241.400 2.244 20 30 BEEDRO CC#CCC[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359865198 358705606 /nfs/dbraw/zinc/70/56/06/358705606.db2.gz FRSVPMIAVULCDW-QWHCGFSZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(C)C[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000309453651 358708927 /nfs/dbraw/zinc/70/89/27/358708927.db2.gz LSPBXKIEWKDLCV-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000132656976 358732179 /nfs/dbraw/zinc/73/21/79/358732179.db2.gz BFNGBQCBRFNRKR-NEPJUHHUSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000135015028 358816236 /nfs/dbraw/zinc/81/62/36/358816236.db2.gz LZNUKBCTAJXRCM-RISCZKNCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000578230508 366461572 /nfs/dbraw/zinc/46/15/72/366461572.db2.gz AZESDBDOEXHTDX-AWEZNQCLSA-N 1 0 249.354 2.278 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000134086754 358778992 /nfs/dbraw/zinc/77/89/92/358778992.db2.gz SMAYSIJPHIUMRF-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C[C@H]1C[NH+](CCCC(C)(C)C#N)C[C@H](C)N1C ZINC000135270050 358828776 /nfs/dbraw/zinc/82/87/76/358828776.db2.gz BQDNILBHRRXUSU-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO C[NH+](C)CCS[C@H](C#N)Cc1ccccc1 ZINC000611131962 358836977 /nfs/dbraw/zinc/83/69/77/358836977.db2.gz KAQPODHKAWWNGN-ZDUSSCGKSA-N 1 0 234.368 2.416 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC[N@@H+](C)C(C)C)n1 ZINC000054128311 358853913 /nfs/dbraw/zinc/85/39/13/358853913.db2.gz BLCFSWMZBOREII-UHFFFAOYSA-N 1 0 246.358 2.322 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(C)C1 ZINC000308823526 491138487 /nfs/dbraw/zinc/13/84/87/491138487.db2.gz CUYOVIMWMHPNCK-YNEHKIRRSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCOCCC[NH2+]C(C1CC1)C1CC1 ZINC000308843120 491138812 /nfs/dbraw/zinc/13/88/12/491138812.db2.gz KWIWDCCVMZPSRT-UHFFFAOYSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246688363 359157166 /nfs/dbraw/zinc/15/71/66/359157166.db2.gz MTKYHJYOEODENI-QWRGUYRKSA-N 1 0 215.724 2.240 20 30 BEEDRO C=CCCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000246900332 359173352 /nfs/dbraw/zinc/17/33/52/359173352.db2.gz MIIAKBFWUVACEU-NEPJUHHUSA-N 1 0 227.373 2.159 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC)CC1 ZINC000246963527 359177320 /nfs/dbraw/zinc/17/73/20/359177320.db2.gz DNAVNEFCJLYZQO-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000247237244 359202931 /nfs/dbraw/zinc/20/29/31/359202931.db2.gz DKKYVBKJKONLII-YPMHNXCESA-N 1 0 209.333 2.145 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)[C@H]1C ZINC000247410294 359219414 /nfs/dbraw/zinc/21/94/14/359219414.db2.gz YSXCXOWTTVRERF-WOPDTQHZSA-N 1 0 205.305 2.160 20 30 BEEDRO CC[N@@H+]1CCN(Cc2ccc(C#N)s2)C[C@H]1C ZINC000611271166 359285776 /nfs/dbraw/zinc/28/57/76/359285776.db2.gz QLTDJIWKFYKLFQ-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000290024568 359292407 /nfs/dbraw/zinc/29/24/07/359292407.db2.gz ZWBRMQSHTDLNOD-GXFFZTMASA-N 1 0 239.746 2.408 20 30 BEEDRO C[C@H]1CCC[C@H](C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611302824 359306699 /nfs/dbraw/zinc/30/66/99/359306699.db2.gz HUTDBEWKBBNPPI-GJZGRUSLSA-N 1 0 249.402 2.344 20 30 BEEDRO C#CC[N@H+](C)CCCNc1ccnc(Cl)c1 ZINC000292868026 359311025 /nfs/dbraw/zinc/31/10/25/359311025.db2.gz SVCNXCPQLWPUAF-UHFFFAOYSA-N 1 0 237.734 2.102 20 30 BEEDRO C[C@@H](CO)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391568 359358071 /nfs/dbraw/zinc/35/80/71/359358071.db2.gz XWPFXNJKRRIWCG-IAQYHMDHSA-N 1 0 244.338 2.154 20 30 BEEDRO C[C@H](O)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611392844 359358851 /nfs/dbraw/zinc/35/88/51/359358851.db2.gz PIGJHNNDXNCYAA-NHYWBVRUSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H](O)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392845 359358895 /nfs/dbraw/zinc/35/88/95/359358895.db2.gz PIGJHNNDXNCYAA-XHDPSFHLSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H]1CC[N@H+](CCCSCC#N)C[C@H]1F ZINC000611501494 359383452 /nfs/dbraw/zinc/38/34/52/359383452.db2.gz CYSIWKZXCQOZED-WDEREUQCSA-N 1 0 230.352 2.313 20 30 BEEDRO N#Cc1cccc(C[N@@H+](CCCO)C2CC2)c1F ZINC000404259676 359391460 /nfs/dbraw/zinc/39/14/60/359391460.db2.gz SPXGQNCLLFIJGD-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000308914892 491140169 /nfs/dbraw/zinc/14/01/69/491140169.db2.gz FOSUVJURQJRAMQ-VHSXEESVSA-N 1 0 206.289 2.315 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)C1CCCCC1 ZINC000308946488 491140816 /nfs/dbraw/zinc/14/08/16/491140816.db2.gz NWTPZSQZYPUKST-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430275230 192863280 /nfs/dbraw/zinc/86/32/80/192863280.db2.gz AGLHQYZZYUTOHK-WCQYABFASA-N 1 0 209.333 2.212 20 30 BEEDRO COc1cccc(CN2CCC[C@](C)(C#N)C2)n1 ZINC000612162078 359712611 /nfs/dbraw/zinc/71/26/11/359712611.db2.gz YOUOZXDUQKLPMS-CQSZACIVSA-N 1 0 245.326 2.216 20 30 BEEDRO C[C@]1(C#N)CCCN(CCc2ccccn2)C1 ZINC000612164074 359715263 /nfs/dbraw/zinc/71/52/63/359715263.db2.gz YABXHSGTZPFARX-CQSZACIVSA-N 1 0 229.327 2.250 20 30 BEEDRO C[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(CC#N)CC1 ZINC000612181146 359726449 /nfs/dbraw/zinc/72/64/49/359726449.db2.gz XISRVWIRFDMSNS-KGLIPLIRSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@H]1CCCC[C@H]1C[NH2+]C1CCN(CC#N)CC1 ZINC000612181145 359726655 /nfs/dbraw/zinc/72/66/55/359726655.db2.gz XISRVWIRFDMSNS-KBPBESRZSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000450859101 202292401 /nfs/dbraw/zinc/29/24/01/202292401.db2.gz MAFJCQYAOQAGLE-JHJVBQTASA-N 1 0 221.344 2.500 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000612194935 359733173 /nfs/dbraw/zinc/73/31/73/359733173.db2.gz ZPXLRXJACYGQLA-CYBMUJFWSA-N 1 0 229.327 2.159 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1ncccn1 ZINC000578380754 366547584 /nfs/dbraw/zinc/54/75/84/366547584.db2.gz GNCHEMAFCPURKP-LLVKDONJSA-N 1 0 205.305 2.311 20 30 BEEDRO CC(C)[N@H+](CC1(C#N)CCC1)[C@@H]1CCOC1 ZINC000451049157 202337775 /nfs/dbraw/zinc/33/77/75/202337775.db2.gz IHDKBVIBPCYWCR-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000578437463 366568415 /nfs/dbraw/zinc/56/84/15/366568415.db2.gz RRIGKKLVTXJOIK-ZDUSSCGKSA-N 1 0 234.347 2.271 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000451076298 202348681 /nfs/dbraw/zinc/34/86/81/202348681.db2.gz GPQSHGZHHHDWMK-JTQLQIEISA-N 1 0 201.260 2.377 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000249043485 359854130 /nfs/dbraw/zinc/85/41/30/359854130.db2.gz VLIBEUFMIIKGBJ-FRRDWIJNSA-N 1 0 248.326 2.375 20 30 BEEDRO 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BEEDRO C=CCOCC[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000339193012 365451716 /nfs/dbraw/zinc/45/17/16/365451716.db2.gz NVBAKJMRQLAZFC-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO CCCC[C@@H](C)[N@H+](C)CCOCCC#N ZINC000339205033 365452490 /nfs/dbraw/zinc/45/24/90/365452490.db2.gz PNGXSRMXVOTKTO-GFCCVEGCSA-N 1 0 212.337 2.427 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000576118434 365493088 /nfs/dbraw/zinc/49/30/88/365493088.db2.gz LWWACQARHPQECL-LBPRGKRZSA-N 1 0 219.332 2.176 20 30 BEEDRO C=CCCCCCNC(=O)[C@](C)([NH3+])CCC ZINC000576121948 365494570 /nfs/dbraw/zinc/49/45/70/365494570.db2.gz RSHRGRCSZSERPJ-CYBMUJFWSA-N 1 0 226.364 2.367 20 30 BEEDRO N#CCCCC[NH+]1CCC(CCCO)CC1 ZINC000360085522 366915345 /nfs/dbraw/zinc/91/53/45/366915345.db2.gz PYAZSQUGGDOFHD-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C=CCCCCCNC(=O)C[N@@H+](C)CCC ZINC000579729591 366996950 /nfs/dbraw/zinc/99/69/50/366996950.db2.gz IFROLGIWMDMBAP-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)C1 ZINC000579702680 366983897 /nfs/dbraw/zinc/98/38/97/366983897.db2.gz UMXOVTOFKGDNDA-FRRDWIJNSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(C)(C)C(=O)NC)C1CC1 ZINC000183221561 367002034 /nfs/dbraw/zinc/00/20/34/367002034.db2.gz QFNMYLIUQGFIOH-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)C1CCOCC1 ZINC000579799927 367010227 /nfs/dbraw/zinc/01/02/27/367010227.db2.gz CVVWOMUAWRMLTC-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)C1CCOCC1 ZINC000579799929 367011001 /nfs/dbraw/zinc/01/10/01/367011001.db2.gz CVVWOMUAWRMLTC-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCn1ccnn1)C1CC1 ZINC000184266653 367072151 /nfs/dbraw/zinc/07/21/51/367072151.db2.gz NSPODYGFEJUIGU-CYBMUJFWSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184545305 367082790 /nfs/dbraw/zinc/08/27/90/367082790.db2.gz HESQVPGOZWDZNL-LLVKDONJSA-N 1 0 217.316 2.436 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccncc1)C(C)(C)C ZINC000380363714 367192074 /nfs/dbraw/zinc/19/20/74/367192074.db2.gz ZRYAKBCRSGXMGC-GFCCVEGCSA-N 1 0 202.301 2.219 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC(=O)CC12CCC2 ZINC000581319386 367345082 /nfs/dbraw/zinc/34/50/82/367345082.db2.gz ZCSKZHYAFJWWQV-UHFFFAOYSA-N 1 0 237.343 2.167 20 30 BEEDRO C=C1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000382587203 367545430 /nfs/dbraw/zinc/54/54/30/367545430.db2.gz VGEOORNOXPLRKT-OAHLLOKOSA-N 1 0 244.338 2.039 20 30 BEEDRO C[C@H]([N@H+](C)CCCC(C)(C)C#N)C(C)(C)O ZINC000382799140 367557464 /nfs/dbraw/zinc/55/74/64/367557464.db2.gz JPYJQCOYKDFQDW-NSHDSACASA-N 1 0 226.364 2.408 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)nc2ccccn21)C(C)C ZINC000384551063 367698922 /nfs/dbraw/zinc/69/89/22/367698922.db2.gz SWBRFJXDWQPZFC-CYBMUJFWSA-N 1 0 241.338 2.390 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000384849785 367743431 /nfs/dbraw/zinc/74/34/31/367743431.db2.gz LAPFDFNWINPSNT-CHWSQXEVSA-N 1 0 222.376 2.415 20 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C=C(C)CC[N@@H+](C)Cc1cnn(CC)c1 ZINC000567130961 326121622 /nfs/dbraw/zinc/12/16/22/326121622.db2.gz JNIWLYKFDUXFBV-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N1CCC[C@@H](C)C1 ZINC000072891997 368783836 /nfs/dbraw/zinc/78/38/36/368783836.db2.gz IUZUGJFCCNBBSW-LLVKDONJSA-N 1 0 235.331 2.087 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000616014886 368884975 /nfs/dbraw/zinc/88/49/75/368884975.db2.gz FHYILHTXIXWINL-VXGBXAGGSA-N 1 0 232.331 2.281 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(F)cc2C#N)C[C@H]1C ZINC000250266934 368957424 /nfs/dbraw/zinc/95/74/24/368957424.db2.gz KOLKUOMAUOFEMJ-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1CC[C@@H](CN2CCC[C@](C)(C#N)C2)O1 ZINC000616114082 368959329 /nfs/dbraw/zinc/95/93/29/368959329.db2.gz NXKIIZVPNKKTGC-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1CC[C@H](CN2CCC[C@@](C)(C#N)C2)O1 ZINC000616114084 368959400 /nfs/dbraw/zinc/95/94/00/368959400.db2.gz NXKIIZVPNKKTGC-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1ccc(CN(C)Cc2ccc(C#N)o2)nc1 ZINC000616152108 368985966 /nfs/dbraw/zinc/98/59/66/368985966.db2.gz QLSCOAPJEPMDBZ-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCCn2ccnc2)C1 ZINC000618565189 369174078 /nfs/dbraw/zinc/17/40/78/369174078.db2.gz JZMDOHAFAGXPNI-ZIAGYGMSSA-N 1 0 246.358 2.335 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCOCC1 ZINC000618808174 369219451 /nfs/dbraw/zinc/21/94/51/369219451.db2.gz ZORZHRBEXRNHID-HNNXBMFYSA-N 1 0 242.322 2.314 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]C1CCOCC1 ZINC000618808175 369219569 /nfs/dbraw/zinc/21/95/69/369219569.db2.gz ZORZHRBEXRNHID-OAHLLOKOSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CC[NH+](CC=C)CCn1cc(Cl)cn1 ZINC000459312891 203254485 /nfs/dbraw/zinc/25/44/85/203254485.db2.gz ZBJSPNDRWHOXHJ-UHFFFAOYSA-N 1 0 225.723 2.211 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459378074 203271260 /nfs/dbraw/zinc/27/12/60/203271260.db2.gz PQOOBZIGBNAWBY-UHFFFAOYSA-N 1 0 247.342 2.458 20 30 BEEDRO N#CC1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459324134 203258572 /nfs/dbraw/zinc/25/85/72/203258572.db2.gz KGLYXBPJSJJITM-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CCN(CCC#N)C1CC(OC(C)C)C1 ZINC000459358750 203268435 /nfs/dbraw/zinc/26/84/35/203268435.db2.gz NDLQOORWWVUBMF-UHFFFAOYSA-N 1 0 210.321 2.178 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459471621 203287336 /nfs/dbraw/zinc/28/73/36/203287336.db2.gz WVRKFWKMMPBVAR-UHFFFAOYSA-N 1 0 217.316 2.362 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459487071 203290366 /nfs/dbraw/zinc/29/03/66/203290366.db2.gz QDPKYZSCWOMWFK-MOENNCHZSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459558947 203300543 /nfs/dbraw/zinc/30/05/43/203300543.db2.gz HHMJOHYHKXGMAG-UHFFFAOYSA-N 1 0 217.316 2.410 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000459569009 203301951 /nfs/dbraw/zinc/30/19/51/203301951.db2.gz CPQHCXVXHJMJLU-IJLUTSLNSA-N 1 0 229.389 2.451 20 30 BEEDRO COCC1(C)C[NH+](CC(C)(C)CCC#N)C1 ZINC000459620298 203318912 /nfs/dbraw/zinc/31/89/12/203318912.db2.gz IZQHZXYIQBOLGA-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CC2(C1)CCOCC2 ZINC000459617825 203319790 /nfs/dbraw/zinc/31/97/90/203319790.db2.gz JOMLVMUHEQBSLT-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000459627383 203322242 /nfs/dbraw/zinc/32/22/42/203322242.db2.gz DVVFLGFXVAKUPA-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)C1CCC1 ZINC000361551995 369446858 /nfs/dbraw/zinc/44/68/58/369446858.db2.gz YOHAYVLEAKRGMJ-UHFFFAOYSA-N 1 0 217.316 2.271 20 30 BEEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@H]1CCOC1 ZINC000361252411 369440384 /nfs/dbraw/zinc/44/03/84/369440384.db2.gz QUFZONATKRYXBY-NSHDSACASA-N 1 0 236.340 2.231 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H]1CCOC1 ZINC000361249884 369440430 /nfs/dbraw/zinc/44/04/30/369440430.db2.gz IELKJYORNZPIJE-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000459654207 203331257 /nfs/dbraw/zinc/33/12/57/203331257.db2.gz YTLJBTIHCALGTQ-BETUJISGSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn(C)cn1 ZINC000459658914 203331394 /nfs/dbraw/zinc/33/13/94/203331394.db2.gz JLSQGOABSYDAID-VXGBXAGGSA-N 1 0 221.348 2.153 20 30 BEEDRO CC[C@@H](COC)[NH2+]CC1(C#N)CCCC1 ZINC000405218757 369449453 /nfs/dbraw/zinc/44/94/53/369449453.db2.gz KFVXAJDGVYSWPN-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO Cc1noc(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459688920 203337279 /nfs/dbraw/zinc/33/72/79/203337279.db2.gz IDXCXXSEYATGOK-UHFFFAOYSA-N 1 0 221.304 2.321 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459689985 203337371 /nfs/dbraw/zinc/33/73/71/203337371.db2.gz IYMYBNCRZFJLEN-UHFFFAOYSA-N 1 0 234.347 2.066 20 30 BEEDRO Cc1ncc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000459690813 203337447 /nfs/dbraw/zinc/33/74/47/203337447.db2.gz JXPVZJKEILDXLB-UHFFFAOYSA-N 1 0 223.345 2.481 20 30 BEEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]CC2(C#N)CC2)n1 ZINC000619535011 369466694 /nfs/dbraw/zinc/46/66/94/369466694.db2.gz YBYHQSCKKCQOCH-GFCCVEGCSA-N 1 0 246.358 2.288 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@H]1COCC ZINC000459724010 203342010 /nfs/dbraw/zinc/34/20/10/203342010.db2.gz WBCAACMTVSSWIY-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCOC1 ZINC000459730447 203345467 /nfs/dbraw/zinc/34/54/67/203345467.db2.gz MIVSIDZCTZTPKH-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000459728314 203345869 /nfs/dbraw/zinc/34/58/69/203345869.db2.gz IRYUDQPSNLASRW-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000459737091 203346707 /nfs/dbraw/zinc/34/67/07/203346707.db2.gz HDFMGGAVWXBQQA-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459736977 203347034 /nfs/dbraw/zinc/34/70/34/203347034.db2.gz VJRPPPLMMWHBRP-UHFFFAOYSA-N 1 0 244.342 2.383 20 30 BEEDRO C=CCN1CC[C@H]([NH2+]C2(C3CCC3)CCC2)C1=O ZINC000459747740 203353890 /nfs/dbraw/zinc/35/38/90/203353890.db2.gz DHNXKCQBHHUEBO-ZDUSSCGKSA-N 1 0 248.370 2.086 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000459752406 203355491 /nfs/dbraw/zinc/35/54/91/203355491.db2.gz IMWFDDVBKXLXQV-MIMYLULJSA-N 1 0 233.340 2.293 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459765677 203355805 /nfs/dbraw/zinc/35/58/05/203355805.db2.gz VODFHCXDDGEABH-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COC[C@@H]1OC ZINC000459753079 203356082 /nfs/dbraw/zinc/35/60/82/203356082.db2.gz JVXYPBHVVIGFNY-XQQFMLRXSA-N 1 0 227.348 2.125 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000459752393 203356316 /nfs/dbraw/zinc/35/63/16/203356316.db2.gz IMWFDDVBKXLXQV-DVVUODLYSA-N 1 0 233.340 2.293 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1C#N ZINC000459766849 203359983 /nfs/dbraw/zinc/35/99/83/203359983.db2.gz PXLSPPXYVOFRRF-KWCYVHTRSA-N 1 0 229.327 2.175 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000459764210 203360299 /nfs/dbraw/zinc/36/02/99/203360299.db2.gz BTCMNEWZWXIFPX-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)CCO1 ZINC000260065517 370969386 /nfs/dbraw/zinc/96/93/86/370969386.db2.gz OPMBVSFBQFYTEI-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459802482 203373115 /nfs/dbraw/zinc/37/31/15/203373115.db2.gz YNZBLYYNCZVWFZ-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C[C@H](CCCCO)[NH2+]CC1CCC(C#N)CC1 ZINC000619673644 369522332 /nfs/dbraw/zinc/52/23/32/369522332.db2.gz ONPAQGVCZRDNBG-IYXRBSQSSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C[C@@H](Sc1ncc2ccccn21)C(=O)OC ZINC000619687364 369528266 /nfs/dbraw/zinc/52/82/66/369528266.db2.gz RQIWZCOGJLCKJQ-SNVBAGLBSA-N 1 0 248.307 2.154 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CCC[C@H](C(C)C)C1 ZINC000619722164 369552861 /nfs/dbraw/zinc/55/28/61/369552861.db2.gz PHCZMKIKXGLAJC-NWDGAFQWSA-N 1 0 225.332 2.082 20 30 BEEDRO CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000600714942 369560796 /nfs/dbraw/zinc/56/07/96/369560796.db2.gz VVIXJQMAVDMWDF-TUKIKUTGSA-N 1 0 243.354 2.349 20 30 BEEDRO Cc1ccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)cc1C#N ZINC000600710800 369561164 /nfs/dbraw/zinc/56/11/64/369561164.db2.gz PJRVVWAZJNZHAE-CHWSQXEVSA-N 1 0 243.354 2.049 20 30 BEEDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(C#N)cc1 ZINC000600711533 369561472 /nfs/dbraw/zinc/56/14/72/369561472.db2.gz UWEBNNHAUCGLTR-TUKIKUTGSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@H]1CCCN(Cc2ccc(C#N)o2)[C@@H]1CC[NH3+] ZINC000600769246 369564533 /nfs/dbraw/zinc/56/45/33/369564533.db2.gz KMNCSBQKGHZOGE-SMDDNHRTSA-N 1 0 247.342 2.101 20 30 BEEDRO N#Cc1ccc(CNCC2([NH3+])CCCCCC2)o1 ZINC000600770227 369566190 /nfs/dbraw/zinc/56/61/90/369566190.db2.gz WWCZNTQCERFYHP-UHFFFAOYSA-N 1 0 247.342 2.293 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000601139600 369594294 /nfs/dbraw/zinc/59/42/94/369594294.db2.gz GWQYHHRPNNIGIM-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CCC[C@H](CCO)[NH2+]Cc1ccc(C#N)s1 ZINC000601140560 369596406 /nfs/dbraw/zinc/59/64/06/369596406.db2.gz YOUVZZOVKAFYOY-SNVBAGLBSA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1cccc(F)c1C#N ZINC000602007779 369733588 /nfs/dbraw/zinc/73/35/88/369733588.db2.gz XQFHBBQSNVCSSZ-ONGXEEELSA-N 1 0 218.275 2.443 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1cccc(F)c1C#N ZINC000602002102 369734007 /nfs/dbraw/zinc/73/40/07/369734007.db2.gz POLGEALVCIDPER-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO COCCCC[NH2+]Cc1cccc(F)c1C#N ZINC000602003340 369734102 /nfs/dbraw/zinc/73/41/02/369734102.db2.gz IHRNIWDKQQDMOH-UHFFFAOYSA-N 1 0 236.290 2.214 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)O1 ZINC000602019853 369735608 /nfs/dbraw/zinc/73/56/08/369735608.db2.gz JWOVMQPCGIHKOY-JQWIXIFHSA-N 1 0 248.301 2.354 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602016655 369735623 /nfs/dbraw/zinc/73/56/23/369735623.db2.gz INWGCPKUEDIRLC-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)n1 ZINC000602524635 369805310 /nfs/dbraw/zinc/80/53/10/369805310.db2.gz NWNHSBZVFOFKDH-LBPRGKRZSA-N 1 0 227.311 2.399 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC(C2CC2)C2CC2)n1 ZINC000602563432 369814143 /nfs/dbraw/zinc/81/41/43/369814143.db2.gz ZXHAUQOGQOTTLD-UHFFFAOYSA-N 1 0 241.338 2.479 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602567025 369814885 /nfs/dbraw/zinc/81/48/85/369814885.db2.gz SSXUHSOPWGOORA-ZWNOBZJWSA-N 1 0 215.300 2.231 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)n2)CCO1 ZINC000602575720 369816416 /nfs/dbraw/zinc/81/64/16/369816416.db2.gz IRUXCJFBCLDLOP-NSHDSACASA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H]1CSCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602635621 369831680 /nfs/dbraw/zinc/83/16/80/369831680.db2.gz UUVWAIPVENCMKC-LLVKDONJSA-N 1 0 247.367 2.138 20 30 BEEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602649078 369833274 /nfs/dbraw/zinc/83/32/74/369833274.db2.gz SJMQAWAVTMGYEH-NEPJUHHUSA-N 1 0 229.327 2.479 20 30 BEEDRO CC1=C[C@H](C)C[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602641367 369833951 /nfs/dbraw/zinc/83/39/51/369833951.db2.gz AELFEUGUUUTXHF-NSHDSACASA-N 1 0 227.311 2.351 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCSC2)n1 ZINC000602661653 369836778 /nfs/dbraw/zinc/83/67/78/369836778.db2.gz HDMAYOKKBJMUBG-NSHDSACASA-N 1 0 247.367 2.186 20 30 BEEDRO CCC[N@H+](CC)Cc1cccc(C#N)n1 ZINC000602434416 369787976 /nfs/dbraw/zinc/78/79/76/369787976.db2.gz WFRMDXPPARCYDW-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO CC(C)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602436997 369788226 /nfs/dbraw/zinc/78/82/26/369788226.db2.gz CDVUMRZSNMDITH-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602450116 369789760 /nfs/dbraw/zinc/78/97/60/369789760.db2.gz TZFRULYAHIBUBK-CYBMUJFWSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602471866 369793460 /nfs/dbraw/zinc/79/34/60/369793460.db2.gz LZDOIKRQBDEWRB-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000602509234 369797656 /nfs/dbraw/zinc/79/76/56/369797656.db2.gz PSJYRCHTZUNNJA-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO CC1(C)C[C@@]1(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602718280 369846055 /nfs/dbraw/zinc/84/60/55/369846055.db2.gz MGHSTLJHTOJRJY-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cccc(C#N)n1)CC(C)C ZINC000602694188 369842635 /nfs/dbraw/zinc/84/26/35/369842635.db2.gz HAAUCTQBTPBOPI-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602694818 369842706 /nfs/dbraw/zinc/84/27/06/369842706.db2.gz KIDONLYJEJMUKZ-GRYCIOLGSA-N 1 0 229.327 2.430 20 30 BEEDRO CC(C)(Nc1cccc(C#N)n1)c1ncc[nH]1 ZINC000603407506 369955537 /nfs/dbraw/zinc/95/55/37/369955537.db2.gz UWEJCFKPOMPMBD-UHFFFAOYSA-N 1 0 227.271 2.024 20 30 BEEDRO C[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252213194 370002526 /nfs/dbraw/zinc/00/25/26/370002526.db2.gz WXOJJJZGDYXRQW-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000620856902 370010167 /nfs/dbraw/zinc/01/01/67/370010167.db2.gz FIKWQVCETVSZHD-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H](CC)[NH+](C)C ZINC000620858673 370012775 /nfs/dbraw/zinc/01/27/75/370012775.db2.gz OEBDTYOVJFBANT-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000620864691 370015456 /nfs/dbraw/zinc/01/54/56/370015456.db2.gz KZRVXTNGNPXFTJ-LLVKDONJSA-N 1 0 249.358 2.449 20 30 BEEDRO CN(Cc1ccncc1)[C@@H]1CCC[C@H]1C#N ZINC000252406872 370022320 /nfs/dbraw/zinc/02/23/20/370022320.db2.gz GWMOYZQOUTWPGP-QWHCGFSZSA-N 1 0 215.300 2.206 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccccc1C#N ZINC000063194525 370139735 /nfs/dbraw/zinc/13/97/35/370139735.db2.gz FNUWSXRYTZMVOP-SWLSCSKDSA-N 1 0 243.354 2.260 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1cccc(F)c1F ZINC000309746019 370253328 /nfs/dbraw/zinc/25/33/28/370253328.db2.gz JDUQJEXMYCABBP-VIFPVBQESA-N 1 0 224.254 2.399 20 30 BEEDRO C=CC[N@H+](Cc1ccnc(C)c1)[C@H](C)COC ZINC000621313926 370240079 /nfs/dbraw/zinc/24/00/79/370240079.db2.gz CBXOOMPHMNTVGX-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309832211 370265537 /nfs/dbraw/zinc/26/55/37/370265537.db2.gz YVKFEOBSGSNGBP-MFKMUULPSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309832212 370266114 /nfs/dbraw/zinc/26/61/14/370266114.db2.gz YVKFEOBSGSNGBP-ZWNOBZJWSA-N 1 0 215.300 2.231 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cncc(OCC)c1 ZINC000621340924 370273454 /nfs/dbraw/zinc/27/34/54/370273454.db2.gz WLVWJDLQEAIPJE-SNVBAGLBSA-N 1 0 206.289 2.144 20 30 BEEDRO CC(C)CC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000076520504 370305434 /nfs/dbraw/zinc/30/54/34/370305434.db2.gz LWIANCYRUXHNME-GFCCVEGCSA-N 1 0 207.321 2.408 20 30 BEEDRO C[C@H]1CCC[C@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000078527239 370571623 /nfs/dbraw/zinc/57/16/23/370571623.db2.gz PZFQCGFSHBNWIA-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)COCc1ccccc1 ZINC000313498833 370591239 /nfs/dbraw/zinc/59/12/39/370591239.db2.gz GXSOEKZNODNTPM-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@H]1CCCCO1 ZINC000379252563 371063440 /nfs/dbraw/zinc/06/34/40/371063440.db2.gz GNYRUONXSRCMKY-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCCCO1 ZINC000379252562 371063671 /nfs/dbraw/zinc/06/36/71/371063671.db2.gz GNYRUONXSRCMKY-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000092392680 371097300 /nfs/dbraw/zinc/09/73/00/371097300.db2.gz IDKRPRXVGFAKTG-FZMZJTMJSA-N 1 0 232.327 2.226 20 30 BEEDRO C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H](C)S1 ZINC000092540643 371105301 /nfs/dbraw/zinc/10/53/01/371105301.db2.gz YITQXSLWFTTXAL-AOOOYVTPSA-N 1 0 236.340 2.477 20 30 BEEDRO CCC1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000093965570 371191612 /nfs/dbraw/zinc/19/16/12/371191612.db2.gz LSJHAIODZXXWPI-UHFFFAOYSA-N 1 0 200.285 2.400 20 30 BEEDRO CC[NH+](CC)CCNc1ccc(C#N)cc1 ZINC000019867459 371195185 /nfs/dbraw/zinc/19/51/85/371195185.db2.gz HOVCCEZDSUSJFE-UHFFFAOYSA-N 1 0 217.316 2.312 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2cnccc2C#N)C1 ZINC000094136476 371196534 /nfs/dbraw/zinc/19/65/34/371196534.db2.gz XTSDOZZAZNKYMC-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019904559 371198882 /nfs/dbraw/zinc/19/88/82/371198882.db2.gz ASUFDTFQJNPRKP-WDEREUQCSA-N 1 0 218.300 2.244 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cnnn1CC)C1CC1 ZINC000624026577 371258065 /nfs/dbraw/zinc/25/80/65/371258065.db2.gz FWNXHAZTLUUMJH-ZDUSSCGKSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnnn1CC ZINC000624026659 371258689 /nfs/dbraw/zinc/25/86/89/371258689.db2.gz MQGCFFWSEMLPFK-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000390756014 371231942 /nfs/dbraw/zinc/23/19/42/371231942.db2.gz HOMMHBCECPRTBS-RYUDHWBXSA-N 1 0 215.300 2.254 20 30 BEEDRO C[C@H]1C[C@@H](Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000155801288 371297458 /nfs/dbraw/zinc/29/74/58/371297458.db2.gz RTQGMDLNLCUBBZ-FZMZJTMJSA-N 1 0 229.327 2.453 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000624088091 371299102 /nfs/dbraw/zinc/29/91/02/371299102.db2.gz ZYBGFVLFLQECRU-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000624177042 371367308 /nfs/dbraw/zinc/36/73/08/371367308.db2.gz WMXNFSFWULNAIN-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624259211 371446775 /nfs/dbraw/zinc/44/67/75/371446775.db2.gz GCDQGHVMHGHIOX-JTQLQIEISA-N 1 0 206.289 2.232 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cc(C#N)cs2)[C@@H](C)C1 ZINC000334155760 371506192 /nfs/dbraw/zinc/50/61/92/371506192.db2.gz WGRIWHGXIZMVQK-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CO)c1ccc(C#N)cc1 ZINC000126361790 371514200 /nfs/dbraw/zinc/51/42/00/371514200.db2.gz VOBZWZLLOXUCDZ-LLVKDONJSA-N 1 0 232.327 2.227 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C ZINC000334741028 371519187 /nfs/dbraw/zinc/51/91/87/371519187.db2.gz YDLDWWFIACWYKO-GXFFZTMASA-N 1 0 234.299 2.008 20 30 BEEDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(Cl)cc1C#N ZINC000216183612 371713337 /nfs/dbraw/zinc/71/33/37/371713337.db2.gz BTBOIOPHSZDYNQ-UWVGGRQHSA-N 1 0 249.745 2.385 20 30 BEEDRO CSC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000602725766 371834582 /nfs/dbraw/zinc/83/45/82/371834582.db2.gz NEUAUPMVYDYDKM-UHFFFAOYSA-N 1 0 236.340 2.479 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000305179897 371895506 /nfs/dbraw/zinc/89/55/06/371895506.db2.gz NEXJLUPBRDXPCG-SECBINFHSA-N 1 0 248.164 2.130 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000133526167 372069034 /nfs/dbraw/zinc/06/90/34/372069034.db2.gz RPPCSNZURRJOSV-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)nn1 ZINC000631225909 372247748 /nfs/dbraw/zinc/24/77/48/372247748.db2.gz KZPAHBOLYVCCMX-JSGCOSHPSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631614443 372462114 /nfs/dbraw/zinc/46/21/14/372462114.db2.gz CFFHKGMIJYKCFM-DOMZBBRYSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631672128 372498840 /nfs/dbraw/zinc/49/88/40/372498840.db2.gz JWFIGQJENUUFQU-YIYPIFLZSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000631679967 372505448 /nfs/dbraw/zinc/50/54/48/372505448.db2.gz LZMNVEOSNZPFNS-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)C1 ZINC000633139648 373303472 /nfs/dbraw/zinc/30/34/72/373303472.db2.gz IRMOSDDFYVUAIC-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000040673125 373592028 /nfs/dbraw/zinc/59/20/28/373592028.db2.gz CVSIARMOESSYAQ-SWLSCSKDSA-N 1 0 243.354 2.303 20 30 BEEDRO COC[C@@H]([NH2+]CCCC(C)(C)C#N)C1CC1 ZINC000183423996 205684419 /nfs/dbraw/zinc/68/44/19/205684419.db2.gz RZZGTPHYHJWONK-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000182079446 205667925 /nfs/dbraw/zinc/66/79/25/205667925.db2.gz ZXCPVBYDRJJQAE-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000040773527 373700976 /nfs/dbraw/zinc/70/09/76/373700976.db2.gz IBKHIMYOTGPKDV-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000633965117 373863570 /nfs/dbraw/zinc/86/35/70/373863570.db2.gz YUDVSBNNQIWNSR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000633965413 373863695 /nfs/dbraw/zinc/86/36/95/373863695.db2.gz SDHONEDSKXIBDN-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[NH2+][C@]1(CO)C[C@H](OCC)C1(C)C ZINC000190009728 205886661 /nfs/dbraw/zinc/88/66/61/205886661.db2.gz QPFGHNSFHHQROL-JSGCOSHPSA-N 1 0 241.375 2.108 20 30 BEEDRO COC(=O)C1CCC([NH2+]CCCCC#N)CC1 ZINC000192441720 205951359 /nfs/dbraw/zinc/95/13/59/205951359.db2.gz RUWDHGFDYMORRP-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO Cc1cccn2c(C[NH2+]CCCCC#N)cnc12 ZINC000174347708 374183677 /nfs/dbraw/zinc/18/36/77/374183677.db2.gz UDZFEWLUHXZGAM-UHFFFAOYSA-N 1 0 242.326 2.426 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192857658 205968739 /nfs/dbraw/zinc/96/87/39/205968739.db2.gz FGHYOSOCZYRCAW-RWMBFGLXSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000193425557 205985407 /nfs/dbraw/zinc/98/54/07/205985407.db2.gz KQPSVYGIHPMOTD-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177152579 206007190 /nfs/dbraw/zinc/00/71/90/206007190.db2.gz LFRRNPLZHLBOBG-NEPJUHHUSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)CCOC)C1CC1 ZINC000178691791 206008526 /nfs/dbraw/zinc/00/85/26/206008526.db2.gz KOFHYESTXWHBGC-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184275791 206011856 /nfs/dbraw/zinc/01/18/56/206011856.db2.gz KMFNMJFTAFMSQS-GHMZBOCLSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1 ZINC000184273724 206011938 /nfs/dbraw/zinc/01/19/38/206011938.db2.gz OABBRVZFGDHTOX-LBPRGKRZSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000191540018 206016918 /nfs/dbraw/zinc/01/69/18/206016918.db2.gz NQXXQPQKEJFWDY-UHFFFAOYSA-N 1 0 219.332 2.203 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000289576511 206028124 /nfs/dbraw/zinc/02/81/24/206028124.db2.gz BFXGZBCPRSXKKV-KBPBESRZSA-N 1 0 219.328 2.144 20 30 BEEDRO C=CCN(C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424427466 206041146 /nfs/dbraw/zinc/04/11/46/206041146.db2.gz PEUXMFGCLHBYOP-UHFFFAOYSA-N 1 0 233.315 2.103 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428242547 206058866 /nfs/dbraw/zinc/05/88/66/206058866.db2.gz VNCFYIMOWIAJLT-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO C[C@@H]1OCC[N@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000156207197 206074981 /nfs/dbraw/zinc/07/49/81/206074981.db2.gz ZEUKCUBETNRQEO-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cc(C#N)cs1)C[C@H](C)O ZINC000165165452 206139229 /nfs/dbraw/zinc/13/92/29/206139229.db2.gz MUPHALSJLSCWCC-ZJUUUORDSA-N 1 0 238.356 2.116 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1SC ZINC000459492924 206130630 /nfs/dbraw/zinc/13/06/30/206130630.db2.gz XJEJCGCMTVLPSA-MXWKQRLJSA-N 1 0 242.388 2.035 20 30 BEEDRO C=CC[C@H](C)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001643814300 1172498075 /nfs/dbraw/zinc/49/80/75/1172498075.db2.gz HIGJBJZWLGPMCH-QNWHQSFQSA-N 1 0 209.333 2.044 20 30 BEEDRO CCCCCCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000059055278 1172499755 /nfs/dbraw/zinc/49/97/55/1172499755.db2.gz MLGWEQONQXQEBO-LBPRGKRZSA-N 1 0 247.404 2.124 20 30 BEEDRO OCC[N@H+](CC#Cc1ccc(F)cc1)C1CCC1 ZINC000275811390 183065221 /nfs/dbraw/zinc/06/52/21/183065221.db2.gz IBUPBXLCNUXRPO-UHFFFAOYSA-N 1 0 247.313 2.024 20 30 BEEDRO OC[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267534089 183123235 /nfs/dbraw/zinc/12/32/35/183123235.db2.gz RONOQGQWQPOOLI-CYBMUJFWSA-N 1 0 249.741 2.006 20 30 BEEDRO CCC[N@H+](C)CCOc1cccc(C#N)c1 ZINC000034674583 169078623 /nfs/dbraw/zinc/07/86/23/169078623.db2.gz HOQPCHWFQPYDQF-UHFFFAOYSA-N 1 0 218.300 2.279 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(C#N)o1 ZINC000353088958 169124815 /nfs/dbraw/zinc/12/48/15/169124815.db2.gz DDKMBLQPQMOHNZ-GFCCVEGCSA-N 1 0 249.358 2.361 20 30 BEEDRO CCC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000034674560 169172923 /nfs/dbraw/zinc/17/29/23/169172923.db2.gz FPNVWKYQULCQHR-HNNXBMFYSA-N 1 0 244.338 2.466 20 30 BEEDRO CCCN(Cc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314728 169174870 /nfs/dbraw/zinc/17/48/70/169174870.db2.gz RQVPSPJPTOOODT-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO CCCN(c1ccc(C#N)cc1F)[C@H]1CC[NH2+]C1 ZINC000071332495 169182804 /nfs/dbraw/zinc/18/28/04/169182804.db2.gz ZWAHHAGQCBLQRN-LBPRGKRZSA-N 1 0 247.317 2.276 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000181243418 134334535 /nfs/dbraw/zinc/33/45/35/134334535.db2.gz RRDSAVLQWIZUQV-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(=C)C ZINC000181318807 134335930 /nfs/dbraw/zinc/33/59/30/134335930.db2.gz NGLZBOLCGIVFHZ-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC001644997118 1172626553 /nfs/dbraw/zinc/62/65/53/1172626553.db2.gz WBAYMYMLLIGYEH-YNEHKIRRSA-N 1 0 209.333 2.024 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000227352780 134378766 /nfs/dbraw/zinc/37/87/66/134378766.db2.gz UABCOTQVHVOZDM-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](Cn1cccn1)[NH2+]CCCC(C)(C)C#N ZINC000087597605 383854279 /nfs/dbraw/zinc/85/42/79/383854279.db2.gz PJOHBDCVUUOSSQ-LBPRGKRZSA-N 1 0 234.347 2.191 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C ZINC000449495306 383871916 /nfs/dbraw/zinc/87/19/16/383871916.db2.gz OCPBFRVEVXWJFB-SMDDNHRTSA-N 1 0 248.326 2.398 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000298546424 383912068 /nfs/dbraw/zinc/91/20/68/383912068.db2.gz NPXFVWKLULJYNO-CVEARBPZSA-N 1 0 243.350 2.425 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000298546430 383913478 /nfs/dbraw/zinc/91/34/78/383913478.db2.gz NPXFVWKLULJYNO-HZPDHXFCSA-N 1 0 243.350 2.425 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@](C)(O)COC ZINC000518476622 383929721 /nfs/dbraw/zinc/92/97/21/383929721.db2.gz XFJAZNNMEOUJRD-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000339084159 383894254 /nfs/dbraw/zinc/89/42/54/383894254.db2.gz XYJSWWJBYUQNFK-KOLCDFICSA-N 1 0 236.290 2.119 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000186697632 383899330 /nfs/dbraw/zinc/89/93/30/383899330.db2.gz WWRKMZNSVIHDOS-OLZOCXBDSA-N 1 0 248.370 2.340 20 30 BEEDRO CCOc1ccccc1OCCN(C)CCC#N ZINC000088401853 383899269 /nfs/dbraw/zinc/89/92/69/383899269.db2.gz RGYKTPVHWDZONS-UHFFFAOYSA-N 1 0 248.326 2.310 20 30 BEEDRO CCN(CCC#N)CCOc1ccc(OC)cc1 ZINC000088401860 383900276 /nfs/dbraw/zinc/90/02/76/383900276.db2.gz CUOVNCDOVFUWSI-UHFFFAOYSA-N 1 0 248.326 2.310 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1cc(OC)cc(C)n1 ZINC000298486176 383903249 /nfs/dbraw/zinc/90/32/49/383903249.db2.gz JKKRHDMTMNUMRD-UHFFFAOYSA-N 1 0 232.327 2.242 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC000560220498 383980918 /nfs/dbraw/zinc/98/09/18/383980918.db2.gz WUWGLADFQKFCKC-VXGBXAGGSA-N 1 0 247.404 2.096 20 30 BEEDRO C[C@@H]([N@H+](C)Cc1cccc(C#N)c1)C(C)(C)O ZINC000289317413 383984300 /nfs/dbraw/zinc/98/43/00/383984300.db2.gz JTDYEXLQECKYFB-LLVKDONJSA-N 1 0 232.327 2.149 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CC=CCC2)n1 ZINC000309600281 383987225 /nfs/dbraw/zinc/98/72/25/383987225.db2.gz WHAUZMDGEINXEX-SNVBAGLBSA-N 1 0 233.340 2.461 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1ccc(C#N)s1 ZINC000339489489 383987845 /nfs/dbraw/zinc/98/78/45/383987845.db2.gz CURUPJUTRCWFMZ-MRVPVSSYSA-N 1 0 212.293 2.457 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000339526729 383990202 /nfs/dbraw/zinc/99/02/02/383990202.db2.gz KPASVAWTDIXIMU-GFCCVEGCSA-N 1 0 236.340 2.134 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000116926847 383946115 /nfs/dbraw/zinc/94/61/15/383946115.db2.gz SSXNAXVALBGPKK-LLVKDONJSA-N 1 0 232.327 2.100 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000049577814 383960651 /nfs/dbraw/zinc/96/06/51/383960651.db2.gz BPIZFFCMMOSMSW-UHFFFAOYSA-N 1 0 210.227 2.358 20 30 BEEDRO Cc1nc(C[NH2+]CCCCC#N)cs1 ZINC000049578504 383960692 /nfs/dbraw/zinc/96/06/92/383960692.db2.gz USMVEMIOGRWGOT-UHFFFAOYSA-N 1 0 209.318 2.235 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037238323 383962056 /nfs/dbraw/zinc/96/20/56/383962056.db2.gz IEPJWUWPCBZESA-AAEUAGOBSA-N 1 0 248.326 2.010 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cncnc1OC ZINC000647212888 383964415 /nfs/dbraw/zinc/96/44/15/383964415.db2.gz BCQLTLNSOCYREQ-UHFFFAOYSA-N 1 0 235.331 2.177 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CC(=O)OC)CCCC1 ZINC000298605539 383972415 /nfs/dbraw/zinc/97/24/15/383972415.db2.gz SRLSYBHPOYGRTF-UHFFFAOYSA-N 1 0 231.723 2.204 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000560259427 384025905 /nfs/dbraw/zinc/02/59/05/384025905.db2.gz SVJGFWRNSGVOKZ-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000298846324 384026106 /nfs/dbraw/zinc/02/61/06/384026106.db2.gz JMKZEERATXILSA-ZDUSSCGKSA-N 1 0 246.354 2.290 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1N(C)C ZINC000309422788 384046575 /nfs/dbraw/zinc/04/65/75/384046575.db2.gz AHAPWYAYTOYKHB-ZDUSSCGKSA-N 1 0 216.328 2.254 20 30 BEEDRO N#CCC[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000569448426 384050943 /nfs/dbraw/zinc/05/09/43/384050943.db2.gz ABYRFPWYBJACPQ-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000560259426 384027527 /nfs/dbraw/zinc/02/75/27/384027527.db2.gz SVJGFWRNSGVOKZ-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000560265034 384029856 /nfs/dbraw/zinc/02/98/56/384029856.db2.gz BKRISPYRJGJGBU-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000560278769 384032651 /nfs/dbraw/zinc/03/26/51/384032651.db2.gz XBUAGQCTOGENCS-NSHDSACASA-N 1 0 219.275 2.045 20 30 BEEDRO C[C@H](CO)[N@@H+](Cc1ccc(C#N)o1)CC1CCC1 ZINC000289379167 384084218 /nfs/dbraw/zinc/08/42/18/384084218.db2.gz MIHKMOIXNBGTLB-LLVKDONJSA-N 1 0 248.326 2.134 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000152931431 384084265 /nfs/dbraw/zinc/08/42/65/384084265.db2.gz RWTOJQDEOPXQIL-NSHDSACASA-N 1 0 248.326 2.045 20 30 BEEDRO OC1(C[NH2+]CC#Cc2cccc(F)c2)CCCC1 ZINC000569449419 384054895 /nfs/dbraw/zinc/05/48/95/384054895.db2.gz MANXXNXQORRHHU-UHFFFAOYSA-N 1 0 247.313 2.072 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnccc1C ZINC000235812701 533033988 /nfs/dbraw/zinc/03/39/88/533033988.db2.gz XAUNYMKQVGKXJZ-UHFFFAOYSA-N 1 0 202.301 2.283 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000290809282 533034566 /nfs/dbraw/zinc/03/45/66/533034566.db2.gz WDOZYKUUUJVEHY-NSHDSACASA-N 1 0 206.289 2.437 20 30 BEEDRO CS[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000128080803 384142850 /nfs/dbraw/zinc/14/28/50/384142850.db2.gz NCJQOMDMFPKEID-QMMMGPOBSA-N 1 0 226.370 2.461 20 30 BEEDRO Cc1ccnc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1C#N ZINC000135197348 384175133 /nfs/dbraw/zinc/17/51/33/384175133.db2.gz NFNSPEXWTGGBMJ-NWDGAFQWSA-N 1 0 244.342 2.062 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449518241 384160574 /nfs/dbraw/zinc/16/05/74/384160574.db2.gz IULZTSNDNFTWKN-RQJABVFESA-N 1 0 221.344 2.498 20 30 BEEDRO Cc1ccnc(NCC[C@@H]2CCC[NH2+]C2)c1C#N ZINC000135200926 384175993 /nfs/dbraw/zinc/17/59/93/384175993.db2.gz FGIUWOGEGDRQOT-LBPRGKRZSA-N 1 0 244.342 2.063 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000181548476 533040552 /nfs/dbraw/zinc/04/05/52/533040552.db2.gz RFFXJWQNLWIJOO-LLVKDONJSA-N 1 0 203.285 2.456 20 30 BEEDRO C#CCCNC(=[NH+]CC)N1CCC(CC)(CC)C1 ZINC000262020016 533044275 /nfs/dbraw/zinc/04/42/75/533044275.db2.gz YPIKHRZFFWUGOB-UHFFFAOYSA-N 1 0 249.402 2.487 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1nc(Cl)c(C#N)s1 ZINC000235122356 384201170 /nfs/dbraw/zinc/20/11/70/384201170.db2.gz CHJCJVMPZGYBJD-LURJTMIESA-N 1 0 244.751 2.030 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(OC)c1)C1CC1 ZINC000299406778 384206942 /nfs/dbraw/zinc/20/69/42/384206942.db2.gz XXTZJTYEDNEHOH-UHFFFAOYSA-N 1 0 215.296 2.293 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC1Cc2ccccc2C1 ZINC000558567731 384188701 /nfs/dbraw/zinc/18/87/01/384188701.db2.gz LPURBSYFTSQZLT-GFCCVEGCSA-N 1 0 228.339 2.493 20 30 BEEDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185846282 134397960 /nfs/dbraw/zinc/39/79/60/134397960.db2.gz YNPRFNHMGPAATK-HZSPNIEDSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185846300 134398135 /nfs/dbraw/zinc/39/81/35/134398135.db2.gz YNPRFNHMGPAATK-IHRRRGAJSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccccc1F ZINC000299378931 384198170 /nfs/dbraw/zinc/19/81/70/384198170.db2.gz GWGSWFOXEMCWIN-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000336478535 384232327 /nfs/dbraw/zinc/23/23/27/384232327.db2.gz JBDKHIWAUAWGKG-UHFFFAOYSA-N 1 0 204.248 2.292 20 30 BEEDRO CS[C@@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000128158781 384233481 /nfs/dbraw/zinc/23/34/81/384233481.db2.gz DWUPXAKHCMNOQX-QMMMGPOBSA-N 1 0 226.370 2.461 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@H]1O ZINC000336589304 384237392 /nfs/dbraw/zinc/23/73/92/384237392.db2.gz FYKANPGZWGEMJW-DZGCQCFKSA-N 1 0 244.338 2.069 20 30 BEEDRO CCn1cc(C[N@H+](C)CCCCC#N)cn1 ZINC000072980407 384239310 /nfs/dbraw/zinc/23/93/10/384239310.db2.gz IPHTTWPZXTWNHE-UHFFFAOYSA-N 1 0 220.320 2.029 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1ccnc1C#N ZINC000336386990 384217580 /nfs/dbraw/zinc/21/75/80/384217580.db2.gz STFSUEBENCATKU-GFCCVEGCSA-N 1 0 232.331 2.018 20 30 BEEDRO CN(CCC#N)c1ccc(C[NH2+]C2CC2)cc1 ZINC000072659137 384229239 /nfs/dbraw/zinc/22/92/39/384229239.db2.gz IFGBVYUXAXOPHN-UHFFFAOYSA-N 1 0 229.327 2.288 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000132728605 384247392 /nfs/dbraw/zinc/24/73/92/384247392.db2.gz GATFQWMKNWKGNA-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000127036543 384250456 /nfs/dbraw/zinc/25/04/56/384250456.db2.gz UAUDNRAARRATKM-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1cc(C#N)cs1 ZINC000336699068 384254254 /nfs/dbraw/zinc/25/42/54/384254254.db2.gz ZRSRPKUKUFKJHB-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)O1 ZINC000414517049 384261636 /nfs/dbraw/zinc/26/16/36/384261636.db2.gz QBGHDCGLXSVAQX-XUJVJEKNSA-N 1 0 244.338 2.461 20 30 BEEDRO CC[C@H]([NH2+]CCOC)c1ccc(C#N)cc1 ZINC000336748519 384265996 /nfs/dbraw/zinc/26/59/96/384265996.db2.gz XZSZBQQHDGRYGQ-ZDUSSCGKSA-N 1 0 218.300 2.245 20 30 BEEDRO CCSCCC[NH2+]Cc1nc(C#N)cs1 ZINC000336773437 384270039 /nfs/dbraw/zinc/27/00/39/384270039.db2.gz YTRIFBQSQUVSGP-UHFFFAOYSA-N 1 0 241.385 2.248 20 30 BEEDRO C=C(C)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174209368 384307366 /nfs/dbraw/zinc/30/73/66/384307366.db2.gz FTUSBHUNGXQLEX-ZDUSSCGKSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC(C)(C)O)C1CC1 ZINC000308820015 384311986 /nfs/dbraw/zinc/31/19/86/384311986.db2.gz BROJGAOUIOIZTB-LBPRGKRZSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCOC1)C1CCCCC1 ZINC000490677206 384319232 /nfs/dbraw/zinc/31/92/32/384319232.db2.gz KEJCPONOONOGCR-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1cccc(C#N)c1 ZINC000094941767 384319274 /nfs/dbraw/zinc/31/92/74/384319274.db2.gz AZZWBMLATGKBGH-NWDGAFQWSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000335545701 384299549 /nfs/dbraw/zinc/29/95/49/384299549.db2.gz YDVLHHUAIZIDGG-WFASDCNBSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CCOCC1 ZINC000134484716 384336261 /nfs/dbraw/zinc/33/62/61/384336261.db2.gz QGRSFYJKNPFEEI-LBPRGKRZSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300359392 384357119 /nfs/dbraw/zinc/35/71/19/384357119.db2.gz IRKLYMIWVCUBPU-DRZSPHRISA-N 1 0 209.333 2.498 20 30 BEEDRO CC#CC[N@H+](CC)CCc1nccs1 ZINC000159379997 384324912 /nfs/dbraw/zinc/32/49/12/384324912.db2.gz KKBWAOLECZNJLY-UHFFFAOYSA-N 1 0 208.330 2.031 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CC23CCCC3)cc1C#N ZINC000335711519 384333851 /nfs/dbraw/zinc/33/38/51/384333851.db2.gz JMHZRCKVJKDSBJ-CYBMUJFWSA-N 1 0 229.327 2.319 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)o1 ZINC000335621078 384392939 /nfs/dbraw/zinc/39/29/39/384392939.db2.gz WPAGCTYEHHGBHA-DTWKUNHWSA-N 1 0 208.236 2.131 20 30 BEEDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000165231675 384407110 /nfs/dbraw/zinc/40/71/10/384407110.db2.gz MKKQGDOPDXLHNG-NXEZZACHSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000313477047 384415183 /nfs/dbraw/zinc/41/51/83/384415183.db2.gz BHUJMGYNTVWLHN-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000313493767 384420451 /nfs/dbraw/zinc/42/04/51/384420451.db2.gz GTXKJVZHKUHHLN-QWRGUYRKSA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000313496085 384425472 /nfs/dbraw/zinc/42/54/72/384425472.db2.gz YYQRKIVRDVBHQD-IJLUTSLNSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000566406512 384388011 /nfs/dbraw/zinc/38/80/11/384388011.db2.gz LDLWPXIQMAXFAX-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO CSC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135501222 384447438 /nfs/dbraw/zinc/44/74/38/384447438.db2.gz WWMQAVPSNBMWNS-QMMMGPOBSA-N 1 0 226.370 2.461 20 30 BEEDRO CC(C)[NH+](CCSCC#N)C(C)C ZINC000160982356 384453310 /nfs/dbraw/zinc/45/33/10/384453310.db2.gz NBNOXRJXLGKFKZ-UHFFFAOYSA-N 1 0 200.351 2.362 20 30 BEEDRO COc1ccc(OCCCN(C)CCC#N)cc1 ZINC000078645995 384455012 /nfs/dbraw/zinc/45/50/12/384455012.db2.gz YFGQAQYDEZKNEV-UHFFFAOYSA-N 1 0 248.326 2.310 20 30 BEEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000395126178 384432588 /nfs/dbraw/zinc/43/25/88/384432588.db2.gz OASOCVWDKHACFH-CABCVRRESA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(C#N)c1 ZINC000135315032 384434881 /nfs/dbraw/zinc/43/48/81/384434881.db2.gz FELPDLDJFUFZPP-MISXGVKJSA-N 1 0 230.311 2.386 20 30 BEEDRO C#CC[N@@H+](Cc1c[nH]nc1C)C1CCCCC1 ZINC000490891997 384463880 /nfs/dbraw/zinc/46/38/80/384463880.db2.gz IWQFNPWBNPDHKR-UHFFFAOYSA-N 1 0 231.343 2.486 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#N)cn2)C1 ZINC000582822057 384474422 /nfs/dbraw/zinc/47/44/22/384474422.db2.gz DMGMMICLCFMLOO-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1cn[nH]c1 ZINC000340534895 384478117 /nfs/dbraw/zinc/47/81/17/384478117.db2.gz SRQYWSGLXFLLJY-LLVKDONJSA-N 1 0 240.310 2.175 20 30 BEEDRO C[C@H]([NH2+]CC1(CCO)CC1)c1ccc(C#N)cc1 ZINC000157457597 384479719 /nfs/dbraw/zinc/47/97/19/384479719.db2.gz UVIIIRRCXMIEDE-LBPRGKRZSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C#N)cc1F ZINC000229880106 384458261 /nfs/dbraw/zinc/45/82/61/384458261.db2.gz BWAFXUHIEYIPLA-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037509593 384506876 /nfs/dbraw/zinc/50/68/76/384506876.db2.gz BBHXKRJYBMMRGJ-SNVBAGLBSA-N 1 0 204.273 2.259 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000150834075 384509915 /nfs/dbraw/zinc/50/99/15/384509915.db2.gz RFBJRWBRWHLHLV-NSHDSACASA-N 1 0 247.342 2.444 20 30 BEEDRO CSCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000128214519 384529936 /nfs/dbraw/zinc/52/99/36/384529936.db2.gz MUGPMEBVRQWJOY-UHFFFAOYSA-N 1 0 226.370 2.415 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C1CCN(CC)CC1 ZINC000309212707 384533432 /nfs/dbraw/zinc/53/34/32/384533432.db2.gz TUUYAGWZVAESMJ-LBPRGKRZSA-N 1 0 210.365 2.415 20 30 BEEDRO CC[C@]1(CO)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190220181 384544215 /nfs/dbraw/zinc/54/42/15/384544215.db2.gz WEGFTLRVVUYZPC-AWEZNQCLSA-N 1 0 248.326 2.136 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CCCC#N)C[C@H]1OC ZINC000184087768 384562791 /nfs/dbraw/zinc/56/27/91/384562791.db2.gz ZFRJUBAPGCMYFD-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](CC)Cn1cncn1 ZINC000309716962 384548538 /nfs/dbraw/zinc/54/85/38/384548538.db2.gz UGLRSDYCFFIDOF-VXGBXAGGSA-N 1 0 222.336 2.001 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000566122200 384560846 /nfs/dbraw/zinc/56/08/46/384560846.db2.gz ABVDXMKUUTWRIZ-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000601283419 384561955 /nfs/dbraw/zinc/56/19/55/384561955.db2.gz YTBAPSGPZBIFML-QMVSFRDZSA-N 1 0 246.354 2.226 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccn(C)n1 ZINC000309733894 384571505 /nfs/dbraw/zinc/57/15/05/384571505.db2.gz FXNRDFKDDFIVLR-VXGBXAGGSA-N 1 0 221.348 2.153 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423463544 384574193 /nfs/dbraw/zinc/57/41/93/384574193.db2.gz LHOHFEFGEIGQEM-JOYOIKCWSA-N 1 0 235.306 2.085 20 30 BEEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCC#N ZINC000309755189 384582251 /nfs/dbraw/zinc/58/22/51/384582251.db2.gz LHVUDHYSMCLNRS-JTQLQIEISA-N 1 0 226.320 2.000 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050015721 384583156 /nfs/dbraw/zinc/58/31/56/384583156.db2.gz YRSATFOMXWHAFU-UHFFFAOYSA-N 1 0 233.271 2.378 20 30 BEEDRO Cc1ccccc1N1CC[NH+](CCCC#N)CC1 ZINC000049971284 384583412 /nfs/dbraw/zinc/58/34/12/384583412.db2.gz NRARCJYBUWXXBE-UHFFFAOYSA-N 1 0 243.354 2.421 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000309586444 384564113 /nfs/dbraw/zinc/56/41/13/384564113.db2.gz RXSDIWBCKURPSQ-YNEHKIRRSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361435186 384566995 /nfs/dbraw/zinc/56/69/95/384566995.db2.gz KDWYJZNYSYVDBK-OSFYFWSMSA-N 1 0 247.386 2.141 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647342528 384600029 /nfs/dbraw/zinc/60/00/29/384600029.db2.gz RMZIIZJTRVWLOO-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000309633617 384674180 /nfs/dbraw/zinc/67/41/80/384674180.db2.gz IRKRPIYTMMOYMC-WPRPVWTQSA-N 1 0 240.372 2.211 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491774730 384646985 /nfs/dbraw/zinc/64/69/85/384646985.db2.gz AULCEPCSFYPBGQ-ZFWWWQNUSA-N 1 0 245.366 2.495 20 30 BEEDRO C#CC[NH+](CC#C)CCCCC(F)(F)F ZINC000154744756 384656151 /nfs/dbraw/zinc/65/61/51/384656151.db2.gz IROFCCGZAORICF-UHFFFAOYSA-N 1 0 217.234 2.287 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000309643585 384679035 /nfs/dbraw/zinc/67/90/35/384679035.db2.gz VGSYWVUAHFFPTA-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)[C@@H](C)C#C ZINC000491781494 384679435 /nfs/dbraw/zinc/67/94/35/384679435.db2.gz LWVSFZFUYXMJJP-ZDUSSCGKSA-N 1 0 227.307 2.152 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C#N)nc2)C1 ZINC000148296287 384710294 /nfs/dbraw/zinc/71/02/94/384710294.db2.gz IBSKOGDKYVEADW-GFCCVEGCSA-N 1 0 244.342 2.095 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000362599440 384717998 /nfs/dbraw/zinc/71/79/98/384717998.db2.gz BBABJZHGVQTNDJ-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000135467949 384721735 /nfs/dbraw/zinc/72/17/35/384721735.db2.gz BINSXPHZHXZIRI-MFKMUULPSA-N 1 0 200.285 2.304 20 30 BEEDRO CCOC1CC2(C1)CC[N@H+](CCCC#N)C2 ZINC000367583402 384736749 /nfs/dbraw/zinc/73/67/49/384736749.db2.gz CUBVGDPBKFOSLK-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000491408947 384745024 /nfs/dbraw/zinc/74/50/24/384745024.db2.gz XWFQFCWQFWUODM-VHSXEESVSA-N 1 0 201.260 2.375 20 30 BEEDRO CC[C@H](COC)[NH2+]CC1CCC(C#N)CC1 ZINC000309701462 384746131 /nfs/dbraw/zinc/74/61/31/384746131.db2.gz MRZJYVWBMJRWQC-WXRRBKDZSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@H]1C[C@H](C[NH2+]CCCCC#N)CCO1 ZINC000309718208 384760839 /nfs/dbraw/zinc/76/08/39/384760839.db2.gz UXDSYGYZITVXCT-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309781871 384827867 /nfs/dbraw/zinc/82/78/67/384827867.db2.gz NCFZNQGKQDUMTR-NDBYEHHHSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309781872 384828762 /nfs/dbraw/zinc/82/87/62/384828762.db2.gz NCFZNQGKQDUMTR-VOAKCMCISA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@H](CC#N)NCc1nc(C)cs1 ZINC000038091448 384793186 /nfs/dbraw/zinc/79/31/86/384793186.db2.gz MQHIOSYBTPQJNM-VIFPVBQESA-N 1 0 209.318 2.233 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1COCCO1 ZINC000310014525 384793362 /nfs/dbraw/zinc/79/33/62/384793362.db2.gz KIBCVYAECFKIGQ-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000310033799 384799770 /nfs/dbraw/zinc/79/97/70/384799770.db2.gz SFCYAICIDALCSC-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO CCc1cccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000104174145 384807760 /nfs/dbraw/zinc/80/77/60/384807760.db2.gz RQRRIQRRVOFIOW-JOYOIKCWSA-N 1 0 217.316 2.384 20 30 BEEDRO CNC(=[NH2+])NCCCCCc1ccc(F)cc1 ZINC000186020696 384814209 /nfs/dbraw/zinc/81/42/09/384814209.db2.gz GRQMDVZUVLCQHS-UHFFFAOYSA-N 1 0 237.322 2.073 20 30 BEEDRO CCCC(N)=NOCc1cnc(C)s1 ZINC000105605825 384875969 /nfs/dbraw/zinc/87/59/69/384875969.db2.gz HWQWXMNRUJGWMO-UHFFFAOYSA-N 1 0 213.306 2.040 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cncnc1OC ZINC000647199938 384877087 /nfs/dbraw/zinc/87/70/87/384877087.db2.gz ZNJHTJLZMCRBCQ-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403649401 384844417 /nfs/dbraw/zinc/84/44/17/384844417.db2.gz JIYDNEIAHJQWPY-YIYPIFLZSA-N 1 0 223.360 2.339 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)C1CCCCC1 ZINC000491439393 384854307 /nfs/dbraw/zinc/85/43/07/384854307.db2.gz JLNRGHSUWOPBCD-CYBMUJFWSA-N 1 0 223.360 2.271 20 30 BEEDRO C[C@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C1CC1 ZINC000105488772 384867136 /nfs/dbraw/zinc/86/71/36/384867136.db2.gz URPSQUBISQEQCH-GFCCVEGCSA-N 1 0 243.354 2.131 20 30 BEEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000135483152 384868827 /nfs/dbraw/zinc/86/88/27/384868827.db2.gz CPSTZCJORFPBGT-VIFPVBQESA-N 1 0 204.273 2.287 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1C ZINC000188305498 384896773 /nfs/dbraw/zinc/89/67/73/384896773.db2.gz BKNVQSWXBJVCLH-MFKMUULPSA-N 1 0 234.299 2.008 20 30 BEEDRO CC(C)SCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308662384 384899092 /nfs/dbraw/zinc/89/90/92/384899092.db2.gz QTEWHFYECFJTGB-QWRGUYRKSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CC[NH2+][C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000152052937 384924587 /nfs/dbraw/zinc/92/45/87/384924587.db2.gz INEIFUGJJAIWTC-AAEUAGOBSA-N 1 0 233.311 2.312 20 30 BEEDRO N#CCC[NH2+]CCc1c[nH]c2ccccc12 ZINC000096336774 384930288 /nfs/dbraw/zinc/93/02/88/384930288.db2.gz HGYHTHWLJDVNPB-UHFFFAOYSA-N 1 0 213.284 2.214 20 30 BEEDRO C[C@H](O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000127715403 384937197 /nfs/dbraw/zinc/93/71/97/384937197.db2.gz HKUHXNKCKITBGW-LBPRGKRZSA-N 1 0 246.354 2.300 20 30 BEEDRO CC1(C)CCC[N@H+](CCOCCC#N)C1 ZINC000338996246 384967596 /nfs/dbraw/zinc/96/75/96/384967596.db2.gz UOPMOCFEQUSHHY-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC(C)[C@H]1CCCC[N@@H+]1CCOCCC#N ZINC000338996727 384967682 /nfs/dbraw/zinc/96/76/82/384967682.db2.gz ITQAFXMBGHFICJ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@H](C)O1 ZINC000449303425 384974470 /nfs/dbraw/zinc/97/44/70/384974470.db2.gz MCVJDSNBDBOENO-XPXVYLNCSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)O1 ZINC000449303424 384974840 /nfs/dbraw/zinc/97/48/40/384974840.db2.gz MCVJDSNBDBOENO-KPHYFBGPSA-N 1 0 236.359 2.472 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000135498229 384980797 /nfs/dbraw/zinc/98/07/97/384980797.db2.gz BHSXGUFSANSDJQ-VXGBXAGGSA-N 1 0 236.340 2.277 20 30 BEEDRO CC[NH+](CC)CCNc1cc(C)nc(C#N)c1 ZINC000308273177 384997826 /nfs/dbraw/zinc/99/78/26/384997826.db2.gz GRWPMJRUKWOYKP-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C=CCCOCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000647132187 385017850 /nfs/dbraw/zinc/01/78/50/385017850.db2.gz ZPUULNVAXPCTTD-JTQLQIEISA-N 1 0 239.319 2.208 20 30 BEEDRO COC1(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000340440134 385060823 /nfs/dbraw/zinc/06/08/23/385060823.db2.gz GHZVUJYQXRTYIG-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000157113513 385076809 /nfs/dbraw/zinc/07/68/09/385076809.db2.gz YRICCXYUSZTIEQ-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000530724529 385025094 /nfs/dbraw/zinc/02/50/94/385025094.db2.gz GLYVWLOIEDZDLZ-ZDUSSCGKSA-N 1 0 200.285 2.242 20 30 BEEDRO Cc1ccnc(NCC(C)(C)[NH+](C)C)c1C#N ZINC000135071918 385033587 /nfs/dbraw/zinc/03/35/87/385033587.db2.gz OMJZKXWKGLATOW-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C=CCSCC[NH2+]Cc1csc(C)n1 ZINC000105462512 385045062 /nfs/dbraw/zinc/04/50/62/385045062.db2.gz UJPUKEHWSVQXLJ-UHFFFAOYSA-N 1 0 228.386 2.460 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000336689890 385111869 /nfs/dbraw/zinc/11/18/69/385111869.db2.gz KFVZDIPHEWHBLH-AGIUHOORSA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]C2CC2)cc1 ZINC000037702350 385115670 /nfs/dbraw/zinc/11/56/70/385115670.db2.gz VJLICJHTDROCGW-UHFFFAOYSA-N 1 0 215.296 2.341 20 30 BEEDRO CC(C)(C#N)CCC[NH2+]C(C)(C)C(C)(C)O ZINC000227344097 385128955 /nfs/dbraw/zinc/12/89/55/385128955.db2.gz BNTGUPGVENGGGH-UHFFFAOYSA-N 1 0 226.364 2.455 20 30 BEEDRO CCN(CCC[NH+](C)C)c1cc(C)nc(C#N)c1 ZINC000308277953 385104223 /nfs/dbraw/zinc/10/42/23/385104223.db2.gz MNQQHUOENPVEBD-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO C[C@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C1CC1 ZINC000176964454 385187613 /nfs/dbraw/zinc/18/76/13/385187613.db2.gz CJCNYYFOLNCKHY-SNVBAGLBSA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](C)C1CCOCC1 ZINC000308832804 385202074 /nfs/dbraw/zinc/20/20/74/385202074.db2.gz GWHUHEGBEIROFX-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000451623430 385146968 /nfs/dbraw/zinc/14/69/68/385146968.db2.gz LZCHMPRJTCQDNG-ZIAGYGMSSA-N 1 0 248.301 2.354 20 30 BEEDRO CNC(NCc1ccc(C)cc1SC)=[NH+]C ZINC000129603688 385165766 /nfs/dbraw/zinc/16/57/66/385165766.db2.gz KASHQCJUXJOXIK-UHFFFAOYSA-N 1 0 237.372 2.012 20 30 BEEDRO CC#CC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000308844813 385207395 /nfs/dbraw/zinc/20/73/95/385207395.db2.gz LSYOCCRNENFCOB-ZDUSSCGKSA-N 1 0 200.285 2.146 20 30 BEEDRO CC#CCC[N@@H+]1CCOCC12CCCC2 ZINC000157572785 385215532 /nfs/dbraw/zinc/21/55/32/385215532.db2.gz GTFUBVHFBCEGIO-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189619464 385229464 /nfs/dbraw/zinc/22/94/64/385229464.db2.gz SIONCSHYOHVAEC-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000449487651 385229830 /nfs/dbraw/zinc/22/98/30/385229830.db2.gz ZUOCNWYMWOKMOX-YPMHNXCESA-N 1 0 222.376 2.271 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CC)C(=O)NC ZINC000449782981 385234110 /nfs/dbraw/zinc/23/41/10/385234110.db2.gz ZLJCWQCJWCXFQQ-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CCC2(CC2)CC1 ZINC000308887735 385242980 /nfs/dbraw/zinc/24/29/80/385242980.db2.gz UTQYSTPHLWXTTN-LBPRGKRZSA-N 1 0 209.333 2.236 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C#N)nc1 ZINC000149383064 385311529 /nfs/dbraw/zinc/31/15/29/385311529.db2.gz GXXZLIUEYSUSEN-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000280193570 385272673 /nfs/dbraw/zinc/27/26/73/385272673.db2.gz HGJHUNSBNQSZLO-OUAUKWLOSA-N 1 0 245.750 2.306 20 30 BEEDRO COCc1ccc(C[NH2+]CCCCC#N)o1 ZINC000166681796 385273009 /nfs/dbraw/zinc/27/30/09/385273009.db2.gz SLIFWHUGCGIHAX-UHFFFAOYSA-N 1 0 222.288 2.209 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1nc(C#N)cs1 ZINC000308916592 385282136 /nfs/dbraw/zinc/28/21/36/385282136.db2.gz GCMCUYLAOAIDNU-VIFPVBQESA-N 1 0 221.329 2.459 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000308912022 385287210 /nfs/dbraw/zinc/28/72/10/385287210.db2.gz DYSGFPIPRWTMIO-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000308920878 385292773 /nfs/dbraw/zinc/29/27/73/385292773.db2.gz IVPKWZAYQPINON-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC000308923644 385295137 /nfs/dbraw/zinc/29/51/37/385295137.db2.gz CRXJVHXRXAFQGU-CPCZMJQVSA-N 1 0 211.349 2.338 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000377633015 385323708 /nfs/dbraw/zinc/32/37/08/385323708.db2.gz UDBHMOMWIRGARM-VOMCLLRMSA-N 1 0 247.342 2.270 20 30 BEEDRO CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000290378910 385354044 /nfs/dbraw/zinc/35/40/44/385354044.db2.gz AYTRNXOTLGHTOS-ZDUSSCGKSA-N 1 0 248.326 2.038 20 30 BEEDRO N#Cc1cc(F)ccc1C[NH2+]C1(CO)CCCC1 ZINC000179060127 385364139 /nfs/dbraw/zinc/36/41/39/385364139.db2.gz RTQCPTLXUBNXDB-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc(N)s1 ZINC000309017228 385371694 /nfs/dbraw/zinc/37/16/94/385371694.db2.gz UYIUPYMWXIRTEQ-UHFFFAOYSA-N 1 0 211.334 2.123 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228074319 385327397 /nfs/dbraw/zinc/32/73/97/385327397.db2.gz CYDCXGRZCBLFCY-AWEZNQCLSA-N 1 0 244.338 2.195 20 30 BEEDRO CCN(Cc1ccccn1)C[C@H](C#N)CCC#N ZINC000131322607 385327766 /nfs/dbraw/zinc/32/77/66/385327766.db2.gz HQJVZSBSGUKWHA-ZDUSSCGKSA-N 1 0 242.326 2.347 20 30 BEEDRO C=C(CC)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000309105234 385424542 /nfs/dbraw/zinc/42/45/42/385424542.db2.gz HPQRKZZYYCPFBA-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@]1(CCCO)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000290411443 385399691 /nfs/dbraw/zinc/39/96/91/385399691.db2.gz KBCFORMWYHVBAW-CQSZACIVSA-N 1 0 248.326 2.278 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000309161170 385443977 /nfs/dbraw/zinc/44/39/77/385443977.db2.gz ZBFQCKSXYFCRDN-AVGNSLFASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000216071862 385450425 /nfs/dbraw/zinc/45/04/25/385450425.db2.gz GHQRALHIGWVOGY-MROQNXINSA-N 1 0 238.375 2.091 20 30 BEEDRO CC(C)[C@H](CNC(=[NH2+])N(C)C)c1ccccc1 ZINC000170906811 385454614 /nfs/dbraw/zinc/45/46/14/385454614.db2.gz UKHIUKMRVQLGJW-ZDUSSCGKSA-N 1 0 233.359 2.303 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCCCOC)c1 ZINC000170913808 385456040 /nfs/dbraw/zinc/45/60/40/385456040.db2.gz PPJOUQAJUROHND-UHFFFAOYSA-N 1 0 249.358 2.402 20 30 BEEDRO CC#CC[N@@H+](CCOC)C[C@@H]1CC=CCC1 ZINC000362249828 385464697 /nfs/dbraw/zinc/46/46/97/385464697.db2.gz KEGJXQFRRFHFME-CQSZACIVSA-N 1 0 221.344 2.314 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000449061724 385491016 /nfs/dbraw/zinc/49/10/16/385491016.db2.gz JQAQPIZLKMNJPR-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000181580453 385516361 /nfs/dbraw/zinc/51/63/61/385516361.db2.gz HEYPRRKOYKHQQQ-WFASDCNBSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000591017629 385549243 /nfs/dbraw/zinc/54/92/43/385549243.db2.gz IUHXVNMBMBVRHS-GFCCVEGCSA-N 1 0 244.338 2.485 20 30 BEEDRO C=C(C)c1cccc([C@H]2C[NH2+]CCO2)c1 ZINC000258055516 385528440 /nfs/dbraw/zinc/52/84/40/385528440.db2.gz HBHCQZGXSSCVGQ-CYBMUJFWSA-N 1 0 203.285 2.381 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000591021358 385551244 /nfs/dbraw/zinc/55/12/44/385551244.db2.gz AUMVXNOISXFZQS-IUCAKERBSA-N 1 0 202.248 2.266 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000591021359 385551648 /nfs/dbraw/zinc/55/16/48/385551648.db2.gz AUMVXNOISXFZQS-RKDXNWHRSA-N 1 0 202.248 2.266 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCCCn1cc(C)cn1 ZINC000491698491 385562676 /nfs/dbraw/zinc/56/26/76/385562676.db2.gz HTYGPVSIDHFEII-AWEZNQCLSA-N 1 0 233.359 2.315 20 30 BEEDRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152636 385567332 /nfs/dbraw/zinc/56/73/32/385567332.db2.gz ZGIUDWYJUKRYST-GJZGRUSLSA-N 1 0 244.338 2.488 20 30 BEEDRO CC1(C)CCC[N@@H+]1CCNc1cccc(C#N)n1 ZINC000450948894 385597661 /nfs/dbraw/zinc/59/76/61/385597661.db2.gz IAAXLGPRSYGOHB-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000411768189 385606617 /nfs/dbraw/zinc/60/66/17/385606617.db2.gz HJXAVRDYLOFYJU-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)C[C@@H]([NH3+])c1noc(CCCCC#N)n1 ZINC000593941958 385590107 /nfs/dbraw/zinc/59/01/07/385590107.db2.gz CQUFNVOLEVTEOH-SNVBAGLBSA-N 1 0 236.319 2.352 20 30 BEEDRO C[C@@H]1CC([NH2+]Cc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000128917489 385616831 /nfs/dbraw/zinc/61/68/31/385616831.db2.gz IBCWQKVCUCNJIN-NXEZZACHSA-N 1 0 234.299 2.197 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H]2CO)c1 ZINC000119272650 385622595 /nfs/dbraw/zinc/62/25/95/385622595.db2.gz RWDFWBVQPDGBAG-AWEZNQCLSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000309499420 385624986 /nfs/dbraw/zinc/62/49/86/385624986.db2.gz ZHRLPRXSERMYDV-XQQFMLRXSA-N 1 0 227.348 2.125 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724824 385629766 /nfs/dbraw/zinc/62/97/66/385629766.db2.gz RKEIGOBBRFYXNK-AGIUHOORSA-N 1 0 238.375 2.313 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C(C)C ZINC000302401288 385635337 /nfs/dbraw/zinc/63/53/37/385635337.db2.gz RQYGHXSBTNUIJK-KBPBESRZSA-N 1 0 235.302 2.107 20 30 BEEDRO C=C(C)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000059386454 385662709 /nfs/dbraw/zinc/66/27/09/385662709.db2.gz KZRPQDHZGULPAL-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000309541661 385676084 /nfs/dbraw/zinc/67/60/84/385676084.db2.gz GAVANVVTKZWVBR-MWLCHTKSSA-N 1 0 240.372 2.429 20 30 BEEDRO CO[C@@H]1C[C@H]([N@H+](C)CCCC#N)C12CCC2 ZINC000451827272 385680818 /nfs/dbraw/zinc/68/08/18/385680818.db2.gz GPFCXRIZDWKMSC-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000309549441 385682437 /nfs/dbraw/zinc/68/24/37/385682437.db2.gz FJSJQEDBGABDDM-IVZWLZJFSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccncc1Cl ZINC000321282633 385683729 /nfs/dbraw/zinc/68/37/29/385683729.db2.gz GGYKQQDCMHAEGH-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C[C@H](CNc1ccc(F)cc1C#N)C[NH+](C)C ZINC000291784781 385698946 /nfs/dbraw/zinc/69/89/46/385698946.db2.gz IIGUUCRNOBVGFF-SNVBAGLBSA-N 1 0 235.306 2.307 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)OC ZINC000289904797 385702997 /nfs/dbraw/zinc/70/29/97/385702997.db2.gz UINXEFJLXSLTHO-ZDUSSCGKSA-N 1 0 248.326 2.081 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2=CCOCC2)c(F)c1 ZINC000397754285 385710985 /nfs/dbraw/zinc/71/09/85/385710985.db2.gz RCMVEZOGNWFLOM-UHFFFAOYSA-N 1 0 246.285 2.134 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336654937 385737433 /nfs/dbraw/zinc/73/74/33/385737433.db2.gz GZQIQYAECOGCDZ-WOPDTQHZSA-N 1 0 224.348 2.065 20 30 BEEDRO COCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185780949 385737905 /nfs/dbraw/zinc/73/79/05/385737905.db2.gz KUCJVZWUZJYAKZ-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO COCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185780981 385737968 /nfs/dbraw/zinc/73/79/68/385737968.db2.gz KUCJVZWUZJYAKZ-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185790436 385739253 /nfs/dbraw/zinc/73/92/53/385739253.db2.gz WQIKKDGUZLMJNB-CHWSQXEVSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000129261952 385742390 /nfs/dbraw/zinc/74/23/90/385742390.db2.gz VUIYXXQKTZNXES-GDLCADMTSA-N 1 0 244.338 2.368 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccc(C#N)n1 ZINC000290947888 385744686 /nfs/dbraw/zinc/74/46/86/385744686.db2.gz CNMYHNWTFFVSGI-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000320224005 385750061 /nfs/dbraw/zinc/75/00/61/385750061.db2.gz AKFAOJRODKOAOI-GWCFXTLKSA-N 1 0 238.306 2.198 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000159187484 385756999 /nfs/dbraw/zinc/75/69/99/385756999.db2.gz VBQXDXHILOPRBL-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@]12CCOC2 ZINC000336655472 385757767 /nfs/dbraw/zinc/75/77/67/385757767.db2.gz HKDOBNQIPVYFRG-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000186693311 385780508 /nfs/dbraw/zinc/78/05/08/385780508.db2.gz SPMQKKRMURHZPM-OCCSQVGLSA-N 1 0 235.302 2.340 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000186698420 385782797 /nfs/dbraw/zinc/78/27/97/385782797.db2.gz UPEOLIZJUHLOCI-SMDDNHRTSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000186706564 385783835 /nfs/dbraw/zinc/78/38/35/385783835.db2.gz GKYYXOQYXBPESZ-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCOC(F)(F)F ZINC000309667743 385785132 /nfs/dbraw/zinc/78/51/32/385785132.db2.gz IMXJGGROOYULML-UHFFFAOYSA-N 1 0 238.253 2.442 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)C1CCSCC1 ZINC000309589576 385719727 /nfs/dbraw/zinc/71/97/27/385719727.db2.gz UJIQTXYQVCOQQN-VXGBXAGGSA-N 1 0 243.416 2.292 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309592487 385723205 /nfs/dbraw/zinc/72/32/05/385723205.db2.gz SSCSQNXUHCDNGI-UBHSHLNASA-N 1 0 223.360 2.339 20 30 BEEDRO Cc1cccnc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309698008 385797922 /nfs/dbraw/zinc/79/79/22/385797922.db2.gz LSROUYUQXKCBRM-VXGBXAGGSA-N 1 0 215.300 2.172 20 30 BEEDRO CCN(C)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000054109866 385811199 /nfs/dbraw/zinc/81/11/99/385811199.db2.gz PBXWIIUBDMTZAK-GFCCVEGCSA-N 1 0 231.343 2.161 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000602687039 385813719 /nfs/dbraw/zinc/81/37/19/385813719.db2.gz HIJXLICYXFKNBJ-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](COCC1CC1)[NH2+]C1CCC(C#N)CC1 ZINC000602714188 385816851 /nfs/dbraw/zinc/81/68/51/385816851.db2.gz WMQYLROBCMSDGG-DCBWTQNWSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1C[NH+](CCCCCF)C[C@@H](C)N1CC#N ZINC000602853857 385827137 /nfs/dbraw/zinc/82/71/37/385827137.db2.gz MJSCVXZYZNQWJD-CHWSQXEVSA-N 1 0 241.354 2.044 20 30 BEEDRO C[C@@H]1C[NH+](CC2CCCCC2)C[C@@H](C)N1CC#N ZINC000602854232 385828244 /nfs/dbraw/zinc/82/82/44/385828244.db2.gz ATBZOTYTLUYTIG-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cn(C)nc1C(C)(C)C ZINC000271745612 385848480 /nfs/dbraw/zinc/84/84/80/385848480.db2.gz SPBJCANWLRCPQN-LLVKDONJSA-N 1 0 248.374 2.309 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000390786626 385901143 /nfs/dbraw/zinc/90/11/43/385901143.db2.gz QITNUVZLMNGRDF-STQMWFEESA-N 1 0 235.714 2.393 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000335018350 385977670 /nfs/dbraw/zinc/97/76/70/385977670.db2.gz FUPIJWNNCOPBIE-IYXRBSQSSA-N 1 0 235.375 2.048 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000414146976 385994810 /nfs/dbraw/zinc/99/48/10/385994810.db2.gz LVUFHCXCYZJCPZ-YYHQMBLXSA-N 1 0 209.333 2.354 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000643253793 385991927 /nfs/dbraw/zinc/99/19/27/385991927.db2.gz VOVGBXSQSJGBOP-LLVKDONJSA-N 1 0 249.276 2.301 20 30 BEEDRO C[C@@H]([NH2+]CCCCCO)c1cccc(C#N)c1 ZINC000181977907 385954904 /nfs/dbraw/zinc/95/49/04/385954904.db2.gz IFZUXGBPKWXVQG-GFCCVEGCSA-N 1 0 232.327 2.371 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253094479 533152343 /nfs/dbraw/zinc/15/23/43/533152343.db2.gz NQKCDVMMBHUJCO-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000373914521 533152387 /nfs/dbraw/zinc/15/23/87/533152387.db2.gz WRLYOJJCJZBPOP-XQLPTFJDSA-N 1 0 235.371 2.271 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414097718 385962752 /nfs/dbraw/zinc/96/27/52/385962752.db2.gz PQPBGCTWSUODJC-GHMZBOCLSA-N 1 0 219.332 2.445 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C=C[C@@H](CO)C1)C1CC1 ZINC000345062826 386002655 /nfs/dbraw/zinc/00/26/55/386002655.db2.gz QNQCCLXXTSTYSV-BNOWGMLFSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414154305 386004887 /nfs/dbraw/zinc/00/48/87/386004887.db2.gz SBCJDHSRLOCFEA-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C[N@H+](Cc1ccoc1)[C@@H]1CC[C@H](C#N)C1 ZINC000335068289 386011141 /nfs/dbraw/zinc/01/11/41/386011141.db2.gz LSGMOYZRNZUTDS-CMPLNLGQSA-N 1 0 204.273 2.404 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccccc1C ZINC000309629698 386020586 /nfs/dbraw/zinc/02/05/86/386020586.db2.gz HJHYSQKVXRLEDL-CYBMUJFWSA-N 1 0 217.312 2.295 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CCCC[C@@H]1O ZINC000267107234 386026432 /nfs/dbraw/zinc/02/64/32/386026432.db2.gz QJDAJNGWOJJICU-KBPBESRZSA-N 1 0 248.326 2.182 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000335076291 386044644 /nfs/dbraw/zinc/04/46/44/386044644.db2.gz KWOQBAXLOFHOBL-RYUDHWBXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414165548 386048451 /nfs/dbraw/zinc/04/84/51/386048451.db2.gz PUCIGULSEBRQCE-RYUDHWBXSA-N 1 0 235.327 2.201 20 30 BEEDRO C=CCCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000188031930 386049332 /nfs/dbraw/zinc/04/93/32/386049332.db2.gz FAOPMMNDASJEQV-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@]1(C)CCCO1 ZINC000414168428 386050105 /nfs/dbraw/zinc/05/01/05/386050105.db2.gz QQEQPVJFISTSFC-YPMHNXCESA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000334454244 386102199 /nfs/dbraw/zinc/10/21/99/386102199.db2.gz MQVUEFYXDGWRKK-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCc1ccccc1NC(=O)N[C@@H](C)C[NH3+] ZINC000415679776 386119420 /nfs/dbraw/zinc/11/94/20/386119420.db2.gz ZAJMABAYVPODGP-NSHDSACASA-N 1 0 247.342 2.274 20 30 BEEDRO CCn1ccc(C[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC000414208357 386061917 /nfs/dbraw/zinc/06/19/17/386061917.db2.gz IQEHOTIHPGHUTA-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000414232744 386077191 /nfs/dbraw/zinc/07/71/91/386077191.db2.gz IHUOXFURDVYJLV-XCCSTKFXSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@H](C)O1 ZINC000414266244 386086339 /nfs/dbraw/zinc/08/63/39/386086339.db2.gz RTIIYYUFOFMZEF-NZEXEKPDSA-N 1 0 222.332 2.082 20 30 BEEDRO C=CCOc1cccc(CNC[C@H]([NH3+])C2CC2)c1 ZINC000414888546 386098055 /nfs/dbraw/zinc/09/80/55/386098055.db2.gz FGQVBJJTRZTTMA-HNNXBMFYSA-N 1 0 246.354 2.078 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](CO)C2)C1 ZINC000414350530 386151192 /nfs/dbraw/zinc/15/11/92/386151192.db2.gz ZLBKSFWNTREYLU-RFGFWPKPSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000188076728 386171371 /nfs/dbraw/zinc/17/13/71/386171371.db2.gz OUIBHVWZRPNERJ-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(C)CN(C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937415 386173311 /nfs/dbraw/zinc/17/33/11/386173311.db2.gz XFKIIXJZBBDTHO-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=CC(C)(C)CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415954539 386174839 /nfs/dbraw/zinc/17/48/39/386174839.db2.gz IYPSIGYWADHGPU-UHFFFAOYSA-N 1 0 247.342 2.479 20 30 BEEDRO C=C(CC)CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415979042 386175753 /nfs/dbraw/zinc/17/57/53/386175753.db2.gz CWSOBNIIBLQEFW-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CCOc1ccccc1CNC[C@@H]([NH3+])CC ZINC000414988331 386128884 /nfs/dbraw/zinc/12/88/84/386128884.db2.gz ZQLSRYRJDXUSKD-ZDUSSCGKSA-N 1 0 234.343 2.078 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCS(=O)(=O)CC ZINC000414338296 386128929 /nfs/dbraw/zinc/12/89/29/386128929.db2.gz KCAJSWNMOLPYSI-NEPJUHHUSA-N 1 0 247.404 2.002 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)CC1(C)COC1 ZINC000345862864 386134011 /nfs/dbraw/zinc/13/40/11/386134011.db2.gz AVSAYFABJGGAHO-UHFFFAOYSA-N 1 0 230.311 2.027 20 30 BEEDRO C[C@@]1(F)CCCN(Cc2ccc(C#N)o2)C1 ZINC000296082350 386135020 /nfs/dbraw/zinc/13/50/20/386135020.db2.gz QQRFSZCTWSUQNS-GFCCVEGCSA-N 1 0 222.263 2.475 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C)cn1 ZINC000131379869 386205238 /nfs/dbraw/zinc/20/52/38/386205238.db2.gz SPNNCJWJYBTFNI-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C#N)s1 ZINC000131387210 386205341 /nfs/dbraw/zinc/20/53/41/386205341.db2.gz TZFRVLHXYQJENV-UHFFFAOYSA-N 1 0 236.340 2.302 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000339009431 386207096 /nfs/dbraw/zinc/20/70/96/386207096.db2.gz CZHLCQNJQVFUAO-OCCSQVGLSA-N 1 0 241.375 2.324 20 30 BEEDRO CCCCNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264117050 386209416 /nfs/dbraw/zinc/20/94/16/386209416.db2.gz QFTHRLZHKPAWAW-UHFFFAOYSA-N 1 0 245.370 2.423 20 30 BEEDRO Cn1cccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000267242872 386217940 /nfs/dbraw/zinc/21/79/40/386217940.db2.gz XZDKVADWAOCJJU-UHFFFAOYSA-N 1 0 231.324 2.248 20 30 BEEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)nc1 ZINC000571857649 386230788 /nfs/dbraw/zinc/23/07/88/386230788.db2.gz AJANCCCZSZYCQT-CHWSQXEVSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cccnc1 ZINC000274561541 386235690 /nfs/dbraw/zinc/23/56/90/386235690.db2.gz YUNXWVVRZZZICL-DMDPSCGWSA-N 1 0 215.300 2.424 20 30 BEEDRO C=CCN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416208161 386243607 /nfs/dbraw/zinc/24/36/07/386243607.db2.gz FTQMZJIPXNYXLI-CQSZACIVSA-N 1 0 246.354 2.324 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000347226130 386289843 /nfs/dbraw/zinc/28/98/43/386289843.db2.gz MEKDITMFIABMQN-GFCCVEGCSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCCC1 ZINC000034674511 386290398 /nfs/dbraw/zinc/29/03/98/386290398.db2.gz IEDUKZDPXWTWTB-HNNXBMFYSA-N 1 0 244.338 2.466 20 30 BEEDRO CC#CCN(CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425508955 386297280 /nfs/dbraw/zinc/29/72/80/386297280.db2.gz HQGFLWQJABXELN-AWEZNQCLSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000366983791 386303781 /nfs/dbraw/zinc/30/37/81/386303781.db2.gz SRLFPRGXOOQPAO-LBPRGKRZSA-N 1 0 246.358 2.035 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cncs1 ZINC000320322163 386317785 /nfs/dbraw/zinc/31/77/85/386317785.db2.gz WSLMRYNTTYTAAV-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000034674446 386265025 /nfs/dbraw/zinc/26/50/25/386265025.db2.gz YSSZTJYDQNIZRO-AWEZNQCLSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347195339 386272482 /nfs/dbraw/zinc/27/24/82/386272482.db2.gz JQQJMUPPIRIJDP-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(CC)nc1 ZINC000414396602 386278050 /nfs/dbraw/zinc/27/80/50/386278050.db2.gz SFTMSDHJBZTLBQ-SNVBAGLBSA-N 1 0 205.305 2.093 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccnn1C ZINC000280912390 386359381 /nfs/dbraw/zinc/35/93/81/386359381.db2.gz SDVUBKSRXAKRLU-BZPMIXESSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000280597243 386365097 /nfs/dbraw/zinc/36/50/97/386365097.db2.gz IYLUQTGBZPRGEU-UONOGXRCSA-N 1 0 232.327 2.152 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000280677214 386370795 /nfs/dbraw/zinc/37/07/95/386370795.db2.gz GKJUPVXWWKLWOH-ZDUSSCGKSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000280749644 386372627 /nfs/dbraw/zinc/37/26/27/386372627.db2.gz XSZFBFPZKGQGPM-HIFRSBDPSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccoc1C ZINC000414433508 386440903 /nfs/dbraw/zinc/44/09/03/386440903.db2.gz KSNYZZGXGKUGGB-UHFFFAOYSA-N 1 0 209.289 2.222 20 30 BEEDRO CCOC1CC([N@H+](C)CCCSCC#N)C1 ZINC000347405496 386389031 /nfs/dbraw/zinc/38/90/31/386389031.db2.gz CWCWWCAVONVUGN-UHFFFAOYSA-N 1 0 242.388 2.133 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C#N)c1 ZINC000315775175 259687682 /nfs/dbraw/zinc/68/76/82/259687682.db2.gz QNZCLAILEVUTMF-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO CCc1ncc(C[NH2+]CC(C)(C)CCC#N)cn1 ZINC000414444488 386488325 /nfs/dbraw/zinc/48/83/25/386488325.db2.gz PWVBMRWGDJSMBI-UHFFFAOYSA-N 1 0 246.358 2.459 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000417357736 386492783 /nfs/dbraw/zinc/49/27/83/386492783.db2.gz RXQNDEGHJOXBRS-RYUDHWBXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000417357737 386494156 /nfs/dbraw/zinc/49/41/56/386494156.db2.gz RXQNDEGHJOXBRS-VXGBXAGGSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CC)C(C)C ZINC000046049366 386510524 /nfs/dbraw/zinc/51/05/24/386510524.db2.gz VNLIMWNXENGNPT-ZDUSSCGKSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCC(CC=C)C(=O)NC(C)(C)C[NH+](C)C ZINC000457206635 386525329 /nfs/dbraw/zinc/52/53/29/386525329.db2.gz LLWBOCRVYBBPAW-UHFFFAOYSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000134882586 386458685 /nfs/dbraw/zinc/45/86/85/386458685.db2.gz DTGNARQNUXNIMY-MXWKQRLJSA-N 1 0 244.766 2.116 20 30 BEEDRO CC1CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442725921 386576711 /nfs/dbraw/zinc/57/67/11/386576711.db2.gz QOIMCRZXBITQPY-KGLIPLIRSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425546660 386584801 /nfs/dbraw/zinc/58/48/01/386584801.db2.gz KZYTWJSQXNLQKL-GFCCVEGCSA-N 1 0 234.347 2.340 20 30 BEEDRO C=C(C)[C@@H]([NH2+]CCO)c1ccc(F)c(F)c1 ZINC000187766681 386593193 /nfs/dbraw/zinc/59/31/93/386593193.db2.gz ZPKOHEWYGPVGFY-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C=CCOc1ccccc1CNC[C@H]([NH3+])C(C)C ZINC000414787366 386531922 /nfs/dbraw/zinc/53/19/22/386531922.db2.gz CGCFMOLGRBHLSN-AWEZNQCLSA-N 1 0 248.370 2.324 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)OC ZINC000519690373 386534486 /nfs/dbraw/zinc/53/44/86/386534486.db2.gz GVPIKJMLSCFFQI-YNEHKIRRSA-N 1 0 237.347 2.081 20 30 BEEDRO C=CCCN1CCc2ccccc2[C@H]1C[NH3+] ZINC000647995859 386558778 /nfs/dbraw/zinc/55/87/78/386558778.db2.gz QNLMMNHBMDPIJF-CQSZACIVSA-N 1 0 216.328 2.121 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000185710934 386631137 /nfs/dbraw/zinc/63/11/37/386631137.db2.gz QIKNTSCQQHRWOM-OCCSQVGLSA-N 1 0 247.386 2.285 20 30 BEEDRO C=CCOc1cccc(CN(C)CCC[NH2+]C)c1 ZINC000415137489 386632292 /nfs/dbraw/zinc/63/22/92/386632292.db2.gz UDSCFDBTFJGZRM-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000185714988 386641548 /nfs/dbraw/zinc/64/15/48/386641548.db2.gz BOWXXMKYZUFBSQ-XDQVBPFNSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000292758831 386643943 /nfs/dbraw/zinc/64/39/43/386643943.db2.gz ISNAJJJAOGSANB-UHFFFAOYSA-N 1 0 240.734 2.369 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000320282722 386654539 /nfs/dbraw/zinc/65/45/39/386654539.db2.gz OUSNYCOGALDESL-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000520245559 386617343 /nfs/dbraw/zinc/61/73/43/386617343.db2.gz VLMPWVFRPZVOFX-VXGBXAGGSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000647949636 386655372 /nfs/dbraw/zinc/65/53/72/386655372.db2.gz FIGCVWVMXDMPQN-LBPRGKRZSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000645087927 386710787 /nfs/dbraw/zinc/71/07/87/386710787.db2.gz MTQUKUKTDPPKHL-GFCCVEGCSA-N 1 0 221.300 2.272 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296227136 386711158 /nfs/dbraw/zinc/71/11/58/386711158.db2.gz KMACWEKXNYBOSC-CYBMUJFWSA-N 1 0 237.730 2.329 20 30 BEEDRO CC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000232314959 386683073 /nfs/dbraw/zinc/68/30/73/386683073.db2.gz FCBUSCRAYONRCQ-ZDUSSCGKSA-N 1 0 219.332 2.421 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000185817590 386690948 /nfs/dbraw/zinc/69/09/48/386690948.db2.gz AEWCIZFUKXYSCL-VUDBWIFFSA-N 1 0 236.340 2.036 20 30 BEEDRO COc1ccc(CCC[NH2+]CCC#N)cc1OC ZINC000520567444 386694566 /nfs/dbraw/zinc/69/45/66/386694566.db2.gz GVEHYOSYUHTGIX-UHFFFAOYSA-N 1 0 248.326 2.140 20 30 BEEDRO CSCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192880226 386734494 /nfs/dbraw/zinc/73/44/94/386734494.db2.gz RLRDWUYMSZITDL-MNOVXSKESA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NCC[NH2+]CCC ZINC000417988575 386791188 /nfs/dbraw/zinc/79/11/88/386791188.db2.gz SEVQCNCORWQBLU-LBPRGKRZSA-N 1 0 241.379 2.030 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000414502062 386771645 /nfs/dbraw/zinc/77/16/45/386771645.db2.gz OOIVVXXQGFTILJ-HZMBPMFUSA-N 1 0 248.326 2.444 20 30 BEEDRO C[N@H+](CCOCCC#N)C1CC(C)(C)C1 ZINC000395366040 386821948 /nfs/dbraw/zinc/82/19/48/386821948.db2.gz IEZPHFVFIJKJKE-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336669591 386801320 /nfs/dbraw/zinc/80/13/20/386801320.db2.gz MUOJGIXUWXMXGT-QJPTWQEYSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(C)CC[N@H+](CCO)Cc1ccccc1 ZINC000168026907 386802068 /nfs/dbraw/zinc/80/20/68/386802068.db2.gz XCKUHHGXMFHPGO-UHFFFAOYSA-N 1 0 219.328 2.447 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000417992868 386802157 /nfs/dbraw/zinc/80/21/57/386802157.db2.gz XDPMBWYCMLAKOD-NWDGAFQWSA-N 1 0 241.379 2.028 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334773407 386824629 /nfs/dbraw/zinc/82/46/29/386824629.db2.gz SKNRRIACCLENSI-RYUDHWBXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425340442 386843089 /nfs/dbraw/zinc/84/30/89/386843089.db2.gz FALGHCIOYSHLMI-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C#CC[N@H+](Cc1cc[nH]c1)C1CCCC1 ZINC000093819789 386849364 /nfs/dbraw/zinc/84/93/64/386849364.db2.gz SANDFHLTJVBAIU-UHFFFAOYSA-N 1 0 202.301 2.393 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000638523750 386857038 /nfs/dbraw/zinc/85/70/38/386857038.db2.gz GGPCCXSFDNSHRE-DGCLKSJQSA-N 1 0 240.416 2.120 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000425348750 386866230 /nfs/dbraw/zinc/86/62/30/386866230.db2.gz ZUTMSVDHYANFHZ-ITGHMWBKSA-N 1 0 236.359 2.472 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162733 386875379 /nfs/dbraw/zinc/87/53/79/386875379.db2.gz NBCAHYZEYGYEFY-LLVKDONJSA-N 1 0 238.356 2.116 20 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CC#CC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341948198 387003719 /nfs/dbraw/zinc/00/37/19/387003719.db2.gz WCBVDJKOPQVPSM-UHFFFAOYSA-N 1 0 243.350 2.284 20 30 BEEDRO N#CC1(C[NH2+]C2CCSCC2)CCC1 ZINC000334927843 387004090 /nfs/dbraw/zinc/00/40/90/387004090.db2.gz HNQPSOBHXDZEOE-UHFFFAOYSA-N 1 0 210.346 2.165 20 30 BEEDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000398985631 387034302 /nfs/dbraw/zinc/03/43/02/387034302.db2.gz HTKHBKVEDCHOFN-BXUZGUMPSA-N 1 0 230.311 2.020 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000190918874 387037733 /nfs/dbraw/zinc/03/77/33/387037733.db2.gz FBCDBCVOBVNUPY-VHSXEESVSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000348284808 387041755 /nfs/dbraw/zinc/04/17/55/387041755.db2.gz WUVRGXYMPBPYAB-DOMZBBRYSA-N 1 0 246.354 2.473 20 30 BEEDRO CC(C)[C@H](CO)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000348293476 387042677 /nfs/dbraw/zinc/04/26/77/387042677.db2.gz PGZSWLPCEVFNDI-WFASDCNBSA-N 1 0 246.354 2.473 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000334966308 387048784 /nfs/dbraw/zinc/04/87/84/387048784.db2.gz HFHVVHTZOPPSFZ-LBPRGKRZSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1(C(=O)OC)CC1 ZINC000188689540 387065699 /nfs/dbraw/zinc/06/56/99/387065699.db2.gz BLXNZIMHCZSPSL-LLVKDONJSA-N 1 0 225.332 2.274 20 30 BEEDRO CS[C@@H]1CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000425371509 387012021 /nfs/dbraw/zinc/01/20/21/387012021.db2.gz QICJEYYFPJBOAP-NXEZZACHSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](COC)C1CCCC1 ZINC000526118374 387027987 /nfs/dbraw/zinc/02/79/87/387027987.db2.gz ZDIOCVCXJCHWGM-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cncn1CC ZINC000418039163 387072764 /nfs/dbraw/zinc/07/27/64/387072764.db2.gz SZQKGTJJPKRINF-LBPRGKRZSA-N 1 0 219.332 2.444 20 30 BEEDRO C=CCCCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418039595 387073996 /nfs/dbraw/zinc/07/39/96/387073996.db2.gz UDMNWYQKYBYMHA-LBPRGKRZSA-N 1 0 241.379 2.015 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000418045102 387075582 /nfs/dbraw/zinc/07/55/82/387075582.db2.gz NGSHUCYHIZIJLM-AVGNSLFASA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[N@@H+]1C[C@H](C(=O)NCCCC)CC[C@@H]1C ZINC000066473139 387084816 /nfs/dbraw/zinc/08/48/16/387084816.db2.gz LARMAPHNXXAPLQ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000066536695 387086663 /nfs/dbraw/zinc/08/66/63/387086663.db2.gz OAEZMEVLTNYVOM-AWEZNQCLSA-N 1 0 235.375 2.240 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188851446 387099201 /nfs/dbraw/zinc/09/92/01/387099201.db2.gz WAYZOCVWLLHVOV-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO COC(C)(C)CC[NH+]1CCC(CC#N)CC1 ZINC000397236310 387109081 /nfs/dbraw/zinc/10/90/81/387109081.db2.gz PCYHDKIFXVWNAI-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CCC1(C)CN(C[C@H](C#N)CCC#N)C1 ZINC000359514908 387115412 /nfs/dbraw/zinc/11/54/12/387115412.db2.gz YFPONRDHMARTRO-NSHDSACASA-N 1 0 205.305 2.162 20 30 BEEDRO C=CCCCC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000187012634 387154128 /nfs/dbraw/zinc/15/41/28/387154128.db2.gz NXHLWUCPXCVBJX-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC(F)(F)CN ZINC000423319853 387161338 /nfs/dbraw/zinc/16/13/38/387161338.db2.gz FTGVTTSXFMFMST-JTQLQIEISA-N 1 0 220.307 2.305 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)[C@@H]1CCCC[C@@H]1C ZINC000120111878 387173335 /nfs/dbraw/zinc/17/33/35/387173335.db2.gz NZLLJCVCVSIZCV-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000152233055 387173992 /nfs/dbraw/zinc/17/39/92/387173992.db2.gz YJZWCVXNUKJFNV-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000418138129 387175315 /nfs/dbraw/zinc/17/53/15/387175315.db2.gz GAMPYGWKPSYSSS-CHWSQXEVSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)C[NH2+]C(C)C ZINC000571820717 387177364 /nfs/dbraw/zinc/17/73/64/387177364.db2.gz GFPFIJDNRMTWGY-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO N#CCCCCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062980001 387189840 /nfs/dbraw/zinc/18/98/40/387189840.db2.gz ZLOCKMFJSRQKOS-AWEZNQCLSA-N 1 0 235.375 2.240 20 30 BEEDRO N#CCCN1CC[NH+](C2CCCCCC2)CC1 ZINC000049827891 387135320 /nfs/dbraw/zinc/13/53/20/387135320.db2.gz NUBKFDYHZUHZRW-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO C=C[C@@H](CC(=O)NCC[NH2+]CC)c1ccccc1 ZINC000571686057 387137730 /nfs/dbraw/zinc/13/77/30/387137730.db2.gz XPBAIWIJKQRFJY-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1F ZINC000191939811 387231001 /nfs/dbraw/zinc/23/10/01/387231001.db2.gz SJXSVJHCFTVYER-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000424727049 387259851 /nfs/dbraw/zinc/25/98/51/387259851.db2.gz VITZTBDZPILFAP-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000423380147 387262829 /nfs/dbraw/zinc/26/28/29/387262829.db2.gz GZHCSFXFKPCCHP-MGPQQGTHSA-N 1 0 249.402 2.437 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1c(F)cncc1F ZINC000285520251 387271123 /nfs/dbraw/zinc/27/11/23/387271123.db2.gz DVNJXENELABOOF-QMMMGPOBSA-N 1 0 210.227 2.034 20 30 BEEDRO C=C[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000643499179 387281574 /nfs/dbraw/zinc/28/15/74/387281574.db2.gz FKBNASHLBFIVES-DGCLKSJQSA-N 1 0 246.354 2.403 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000514856358 387296684 /nfs/dbraw/zinc/29/66/84/387296684.db2.gz FCJYNUYNZCEFBD-BZPMIXESSA-N 1 0 249.358 2.223 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000514840122 387301781 /nfs/dbraw/zinc/30/17/81/387301781.db2.gz NAJDYVIVHWNTCO-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCCN1 ZINC000643501999 387357171 /nfs/dbraw/zinc/35/71/71/387357171.db2.gz VQCRLGDNVSNLJI-CHWSQXEVSA-N 1 0 210.365 2.463 20 30 BEEDRO Cn1cc(C[NH2+]CC2(C)CCC2)cc1C#N ZINC000191294343 387380964 /nfs/dbraw/zinc/38/09/64/387380964.db2.gz SZHGAHAZCFMMLD-UHFFFAOYSA-N 1 0 217.316 2.177 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000514989905 387319870 /nfs/dbraw/zinc/31/98/70/387319870.db2.gz VCWFPPFYOQOIFA-BNOWGMLFSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000611382032 387325241 /nfs/dbraw/zinc/32/52/41/387325241.db2.gz FRWMGGARIFVFEH-SMDDNHRTSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CCC[C@@H](N[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423490110 387336030 /nfs/dbraw/zinc/33/60/30/387336030.db2.gz XJBQZTCYBAVYKN-NEPJUHHUSA-N 1 0 244.329 2.318 20 30 BEEDRO C#CC[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000270200458 387426490 /nfs/dbraw/zinc/42/64/90/387426490.db2.gz MCRHPIOCZSJYOF-HNNXBMFYSA-N 1 0 239.322 2.274 20 30 BEEDRO C[C@@H]1COCCC[N@@H+]1CCCC(C)(C)C#N ZINC000389803717 387427004 /nfs/dbraw/zinc/42/70/04/387427004.db2.gz UFMMZEGVGYZJEG-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000271878160 387448936 /nfs/dbraw/zinc/44/89/36/387448936.db2.gz BKWVUQYGHIZPBJ-LSDHHAIUSA-N 1 0 229.323 2.297 20 30 BEEDRO C#CCC[N@H+]1CCc2c(cccc2OC)C1 ZINC000272872650 387457668 /nfs/dbraw/zinc/45/76/68/387457668.db2.gz AXMYPCPDYFUBMT-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272800291 387457880 /nfs/dbraw/zinc/45/78/80/387457880.db2.gz UTPGRJWBXNBECB-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO CC#CC[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000272875153 387458533 /nfs/dbraw/zinc/45/85/33/387458533.db2.gz BHYGXRLOAMIWQT-UHFFFAOYSA-N 1 0 244.338 2.257 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)C=C(C)C)CC1 ZINC000264453252 387390906 /nfs/dbraw/zinc/39/09/06/387390906.db2.gz DIAKTFWDHJJMIN-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000265210201 387395009 /nfs/dbraw/zinc/39/50/09/387395009.db2.gz DBTSQPVNHLAIDW-OAHLLOKOSA-N 1 0 247.338 2.112 20 30 BEEDRO C=C(C)CN(CC)C(=O)c1c[nH+]ccc1N(C)C ZINC000273515691 387460435 /nfs/dbraw/zinc/46/04/35/387460435.db2.gz OJYIGXNNBMGYPY-UHFFFAOYSA-N 1 0 247.342 2.186 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000266499433 387405427 /nfs/dbraw/zinc/40/54/27/387405427.db2.gz VATTWNQBWFVYAD-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000424768725 387411848 /nfs/dbraw/zinc/41/18/48/387411848.db2.gz XSKAHWTYTCOESG-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1nnc2ccccn21 ZINC000274820452 387494425 /nfs/dbraw/zinc/49/44/25/387494425.db2.gz JPJJPFGZVAUBFO-LLVKDONJSA-N 1 0 230.315 2.346 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000192790247 387501069 /nfs/dbraw/zinc/50/10/69/387501069.db2.gz LBHQGPUMJWDSIK-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000275228411 387503348 /nfs/dbraw/zinc/50/33/48/387503348.db2.gz CWZUJMVSXKUCQS-JSGCOSHPSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000516490395 387510143 /nfs/dbraw/zinc/51/01/43/387510143.db2.gz HHNDAHVHKCHROB-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC000293143349 387511424 /nfs/dbraw/zinc/51/14/24/387511424.db2.gz UIOHMBYLKWFMHM-NEPJUHHUSA-N 1 0 230.311 2.277 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527191507 387524757 /nfs/dbraw/zinc/52/47/57/387524757.db2.gz ADUMPSROUPFHKA-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[C@H](C[NH+]1CCC(CC#N)CC1)OC ZINC000397162348 387544033 /nfs/dbraw/zinc/54/40/33/387544033.db2.gz WFRATCCRTDBGCO-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO COC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000276801790 387526246 /nfs/dbraw/zinc/52/62/46/387526246.db2.gz MPEVOUBHQILPHJ-HNNXBMFYSA-N 1 0 229.323 2.006 20 30 BEEDRO C=C[C@@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648084786 387533065 /nfs/dbraw/zinc/53/30/65/387533065.db2.gz ZQBLWMJVBQPVAK-LDYMZIIASA-N 1 0 238.718 2.031 20 30 BEEDRO C=C[C@@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648084784 387533352 /nfs/dbraw/zinc/53/33/52/387533352.db2.gz ZQBLWMJVBQPVAK-KCJUWKMLSA-N 1 0 238.718 2.031 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000425924969 387533462 /nfs/dbraw/zinc/53/34/62/387533462.db2.gz UQLOZYYJZLYQEJ-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192779534 387534847 /nfs/dbraw/zinc/53/48/47/387534847.db2.gz ATVYIKGVJFEKTN-VXGBXAGGSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)[C@@H](C[NH2+]CCC#N)c1cccnc1 ZINC000516175872 387466674 /nfs/dbraw/zinc/46/66/74/387466674.db2.gz WRHRQZIEJXXYRI-CYBMUJFWSA-N 1 0 217.316 2.324 20 30 BEEDRO Cc1cccc(C)c1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424075058 387477814 /nfs/dbraw/zinc/47/78/14/387477814.db2.gz IOCFCOOVQFPHBT-LBPRGKRZSA-N 1 0 245.326 2.263 20 30 BEEDRO C=CCCCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000424079345 387479483 /nfs/dbraw/zinc/47/94/83/387479483.db2.gz UGAMZXBUSAOLNC-AVGNSLFASA-N 1 0 238.375 2.175 20 30 BEEDRO Cc1c(F)cccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424083392 387481808 /nfs/dbraw/zinc/48/18/08/387481808.db2.gz AXTBQYHKODRMCE-NSHDSACASA-N 1 0 249.289 2.094 20 30 BEEDRO CCc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1 ZINC000424084489 387485396 /nfs/dbraw/zinc/48/53/96/387485396.db2.gz YMQIOPUJNLSCKG-ZDUSSCGKSA-N 1 0 245.326 2.209 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528400108 387594765 /nfs/dbraw/zinc/59/47/65/387594765.db2.gz KCWPTCDWVLMOSJ-CHWSQXEVSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430415653 387617054 /nfs/dbraw/zinc/61/70/54/387617054.db2.gz PRFVNBWTQOEJHG-YNEHKIRRSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000279151307 387561694 /nfs/dbraw/zinc/56/16/94/387561694.db2.gz AQDNIFOJYDXJLP-BPLDGKMQSA-N 1 0 249.354 2.289 20 30 BEEDRO Cc1cc(CC[NH2+]Cc2cccc(C#N)c2)on1 ZINC000353091105 387635984 /nfs/dbraw/zinc/63/59/84/387635984.db2.gz BWMBCLBFKSBERS-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(CC#N)CC1 ZINC000430745269 387646670 /nfs/dbraw/zinc/64/66/70/387646670.db2.gz YJZCEBDFXACLJT-LBPRGKRZSA-N 1 0 244.342 2.081 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000248972753 387695253 /nfs/dbraw/zinc/69/52/53/387695253.db2.gz TTXHPNATLQFYID-LALPHHSUSA-N 1 0 244.338 2.322 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451894101 387673590 /nfs/dbraw/zinc/67/35/90/387673590.db2.gz CMRDGFRMHMHYKI-CYBMUJFWSA-N 1 0 222.332 2.183 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000441363772 387750825 /nfs/dbraw/zinc/75/08/25/387750825.db2.gz YGLCSSBDKDTLHR-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C(C)C[N@@H+](CCO)Cc1cccc(OCC)c1 ZINC000452040874 387708761 /nfs/dbraw/zinc/70/87/61/387708761.db2.gz BJIKKAGHPJVCEJ-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000452060690 387719511 /nfs/dbraw/zinc/71/95/11/387719511.db2.gz FLOPSZGVWWURKZ-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000452112665 387742534 /nfs/dbraw/zinc/74/25/34/387742534.db2.gz GPTBCLDVYWZKNJ-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353237335 387766211 /nfs/dbraw/zinc/76/62/11/387766211.db2.gz FCSNOPPDNMNMTA-ZFWWWQNUSA-N 1 0 244.338 2.296 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527912872 387766187 /nfs/dbraw/zinc/76/61/87/387766187.db2.gz WFPJEWVBBCWANE-CYDGBPFRSA-N 1 0 221.344 2.356 20 30 BEEDRO C=C(C)C[N@H+](C)CCC(=O)OC(C)(C)C ZINC000150899163 387781413 /nfs/dbraw/zinc/78/14/13/387781413.db2.gz OICGDANZMRWKHZ-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192854590 387782747 /nfs/dbraw/zinc/78/27/47/387782747.db2.gz LNEKSWZJJNWXNT-FPMFFAJLSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(C#N)o1 ZINC000231076234 387784131 /nfs/dbraw/zinc/78/41/31/387784131.db2.gz WOWJROGULLGPLR-GFCCVEGCSA-N 1 0 236.315 2.038 20 30 BEEDRO CS[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000294390015 387791274 /nfs/dbraw/zinc/79/12/74/387791274.db2.gz JPXUWMJMVYPKFQ-CYBMUJFWSA-N 1 0 232.352 2.496 20 30 BEEDRO CCN(C)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353431229 387794506 /nfs/dbraw/zinc/79/45/06/387794506.db2.gz YGWHPCTVJYNNDH-HNNXBMFYSA-N 1 0 243.354 2.087 20 30 BEEDRO C[C@H]([NH2+]C[C@H](CO)C1CC1)c1ccc(C#N)cc1 ZINC000353484286 387798198 /nfs/dbraw/zinc/79/81/98/387798198.db2.gz JGRYWJLRQSBLSG-XHDPSFHLSA-N 1 0 244.338 2.227 20 30 BEEDRO CC#CC[N@H+](C)CCOc1ccc(F)cc1 ZINC000157472788 387800216 /nfs/dbraw/zinc/80/02/16/387800216.db2.gz IOPVVUJZKLYZSM-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO CC(C)(CO)CC[NH2+]Cc1cccc(C#N)c1 ZINC000294805579 387827175 /nfs/dbraw/zinc/82/71/75/387827175.db2.gz NIWJFFOHTHYSMX-UHFFFAOYSA-N 1 0 232.327 2.056 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)CC(C)(C)CO ZINC000294814229 387827769 /nfs/dbraw/zinc/82/77/69/387827769.db2.gz OEOYYPJREWXEGW-UHFFFAOYSA-N 1 0 232.327 2.009 20 30 BEEDRO CCOc1ncccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442719688 387828227 /nfs/dbraw/zinc/82/82/27/387828227.db2.gz RYRKRWZMKPCYCH-DGCLKSJQSA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc(C#N)c1 ZINC000353856466 387834680 /nfs/dbraw/zinc/83/46/80/387834680.db2.gz BSIXIPWXAOHQKS-ABAIWWIYSA-N 1 0 244.338 2.227 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000442773868 387837686 /nfs/dbraw/zinc/83/76/86/387837686.db2.gz DHQIBWUMXPWFKD-YUTCNCBUSA-N 1 0 230.311 2.002 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)C1 ZINC000442777495 387837770 /nfs/dbraw/zinc/83/77/70/387837770.db2.gz IWNZTJNRESRDJO-MBJXGIAVSA-N 1 0 234.343 2.226 20 30 BEEDRO CC(C)Cn1ccnc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442778114 387837970 /nfs/dbraw/zinc/83/79/70/387837970.db2.gz FPNDNWSUDJWPJW-CHWSQXEVSA-N 1 0 246.358 2.321 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC[C@@H]1O ZINC000442784639 387839876 /nfs/dbraw/zinc/83/98/76/387839876.db2.gz UKDFCSUWFNQRBX-YIYPIFLZSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC000442792502 387841051 /nfs/dbraw/zinc/84/10/51/387841051.db2.gz QHKAHXLGCAIREW-HZSPNIEDSA-N 1 0 247.386 2.285 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)NCCCCC ZINC000061758770 387845699 /nfs/dbraw/zinc/84/56/99/387845699.db2.gz RKQANOASQQXMRN-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO Cc1nocc1CN(C)Cc1cccc(C#N)c1 ZINC000295333508 387873868 /nfs/dbraw/zinc/87/38/68/387873868.db2.gz MCFDFKCRCGUEKV-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCO[C@@H]1C1CC1 ZINC000442832145 387848242 /nfs/dbraw/zinc/84/82/42/387848242.db2.gz AQPPCKIOMUVYDX-NMFUWQPSSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C(CN[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032131 387848565 /nfs/dbraw/zinc/84/85/65/387848565.db2.gz VSLKNOLFQHDNAQ-ZFWWWQNUSA-N 1 0 230.355 2.430 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442857797 387851797 /nfs/dbraw/zinc/85/17/97/387851797.db2.gz NZIRKLYLTGXKTL-SYQHCUMBSA-N 1 0 234.343 2.249 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC000442857169 387852027 /nfs/dbraw/zinc/85/20/27/387852027.db2.gz PCZGPLJIMZJONR-HONMWMINSA-N 1 0 248.301 2.141 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000442869950 387853391 /nfs/dbraw/zinc/85/33/91/387853391.db2.gz BZBPHYJOVYHMRI-NEPJUHHUSA-N 1 0 235.327 2.227 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H](C)C2)nn1 ZINC000424167105 387853409 /nfs/dbraw/zinc/85/34/09/387853409.db2.gz BVFKXPNEPDPSLV-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1OC ZINC000424167369 387853563 /nfs/dbraw/zinc/85/35/63/387853563.db2.gz DOPVFKZDRYRDKV-KBPBESRZSA-N 1 0 247.338 2.376 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC(C)(C)C[C@H]2C)nn1 ZINC000424169116 387859918 /nfs/dbraw/zinc/85/99/18/387859918.db2.gz HGVQSIJYASYXEP-YPMHNXCESA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1(OC)CCCC1 ZINC000424165178 387860964 /nfs/dbraw/zinc/86/09/64/387860964.db2.gz AAHAENNNAIIKGA-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCCCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193720874 387863186 /nfs/dbraw/zinc/86/31/86/387863186.db2.gz CLDBVNSZWDDXPR-AWEZNQCLSA-N 1 0 239.359 2.224 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000433091654 387864522 /nfs/dbraw/zinc/86/45/22/387864522.db2.gz MOAJXHXYCOGULN-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000442658157 387815094 /nfs/dbraw/zinc/81/50/94/387815094.db2.gz YXCNOYMJIKEKBG-CMPLNLGQSA-N 1 0 244.294 2.197 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)c1ncc[nH]1 ZINC000353600597 387818652 /nfs/dbraw/zinc/81/86/52/387818652.db2.gz YVBZSKCTZUDMAS-LLVKDONJSA-N 1 0 240.310 2.175 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccs1 ZINC000424179033 387891304 /nfs/dbraw/zinc/89/13/04/387891304.db2.gz XNBRFWTXXZRCGM-JQWIXIFHSA-N 1 0 223.341 2.429 20 30 BEEDRO C=CC[NH+](CC=C)CCC[C@@H]1CCOC1 ZINC000645776025 387898916 /nfs/dbraw/zinc/89/89/16/387898916.db2.gz YSOPDDLNCVBHGA-CYBMUJFWSA-N 1 0 209.333 2.477 20 30 BEEDRO CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000036228999 387884320 /nfs/dbraw/zinc/88/43/20/387884320.db2.gz CTCMLMVYSDIKIE-LLVKDONJSA-N 1 0 218.300 2.245 20 30 BEEDRO C=CC[N@H+](CCO[C@H]1CCCCO1)C1CC1 ZINC000444687412 387907462 /nfs/dbraw/zinc/90/74/62/387907462.db2.gz VAGWSVXSMSUYCQ-ZDUSSCGKSA-N 1 0 225.332 2.180 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528357570 387908356 /nfs/dbraw/zinc/90/83/56/387908356.db2.gz ARRBCRDFMVFOMC-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528357572 387909562 /nfs/dbraw/zinc/90/95/62/387909562.db2.gz ARRBCRDFMVFOMC-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO CC#CCC[N@H+](C)CCN(C)c1ccccc1 ZINC000155624202 387910672 /nfs/dbraw/zinc/91/06/72/387910672.db2.gz RZBHHBORBWVIIO-UHFFFAOYSA-N 1 0 230.355 2.468 20 30 BEEDRO C=CC[NH2+][C@H](CN1CCCC1=O)c1ccccc1 ZINC000179555684 387929835 /nfs/dbraw/zinc/92/98/35/387929835.db2.gz LUTANGXRNKPBKM-CQSZACIVSA-N 1 0 244.338 2.126 20 30 BEEDRO C=CC[C@H]1[N@H+](C[C@@H](O)COC)CCCC1(C)C ZINC000444780237 387930073 /nfs/dbraw/zinc/93/00/73/387930073.db2.gz ZYLNQVROYMLKDF-CHWSQXEVSA-N 1 0 241.375 2.060 20 30 BEEDRO Cc1nocc1CN(C)Cc1ccc(C#N)cc1 ZINC000295425604 387930866 /nfs/dbraw/zinc/93/08/66/387930866.db2.gz SQVNEIBQBIPWQD-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423155885 387933729 /nfs/dbraw/zinc/93/37/29/387933729.db2.gz RKIQZZYDRKQBFR-TUVASFSCSA-N 1 0 244.338 2.064 20 30 BEEDRO CC[N@H+](CCNCc1cccc(C#N)c1)C(C)C ZINC000102429676 387922462 /nfs/dbraw/zinc/92/24/62/387922462.db2.gz JTRBHOLWOGMOQL-UHFFFAOYSA-N 1 0 245.370 2.378 20 30 BEEDRO C=CC[N@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000444773443 387926738 /nfs/dbraw/zinc/92/67/38/387926738.db2.gz DJOOFNAFFMZMNW-ZDUSSCGKSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444770942 387927233 /nfs/dbraw/zinc/92/72/33/387927233.db2.gz MSCSLZMQUISOOZ-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H](CN1CCCC1=O)c1ccccc1 ZINC000179555675 387928564 /nfs/dbraw/zinc/92/85/64/387928564.db2.gz LUTANGXRNKPBKM-AWEZNQCLSA-N 1 0 244.338 2.126 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC#N)C[C@H]2C1 ZINC000424283191 387952153 /nfs/dbraw/zinc/95/21/53/387952153.db2.gz RKCBDIGYXYKJMG-MPZDIEGVSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)nn1 ZINC000424296424 387956655 /nfs/dbraw/zinc/95/66/55/387956655.db2.gz OKHVEZAKGAZXPS-OUCADQQQSA-N 1 0 248.374 2.378 20 30 BEEDRO CCOCCC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612166776 387947713 /nfs/dbraw/zinc/94/77/13/387947713.db2.gz WVVQVQIBGLBKCX-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCCC#N)C[C@H]2C1 ZINC000424273052 387949139 /nfs/dbraw/zinc/94/91/39/387949139.db2.gz SBGWQDNCXUPGHO-KPWCQOOUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)nn1 ZINC000424299031 387957850 /nfs/dbraw/zinc/95/78/50/387957850.db2.gz UQBCXVNXRITIRD-OLZOCXBDSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC(C)(C)C2)nn1 ZINC000424297976 387958082 /nfs/dbraw/zinc/95/80/82/387958082.db2.gz RQUHAFHCHSAWIK-NSHDSACASA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](CC)[C@H]2CC2(C)C)nn1 ZINC000424300458 387961131 /nfs/dbraw/zinc/96/11/31/387961131.db2.gz XROIJRFITISIGL-OLZOCXBDSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424306021 387962270 /nfs/dbraw/zinc/96/22/70/387962270.db2.gz UESWKSVCICOSHF-IEECTRCBSA-N 1 0 209.333 2.354 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C)CCC2CC2)nn1 ZINC000424301094 387962543 /nfs/dbraw/zinc/96/25/43/387962543.db2.gz ZKMUOLTYWWGHHI-NSHDSACASA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCCCS(C)(=O)=O ZINC000424313880 387966350 /nfs/dbraw/zinc/96/63/50/387966350.db2.gz ZCCDQXYVXPQZKY-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCCCS(C)(=O)=O ZINC000424313878 387966784 /nfs/dbraw/zinc/96/67/84/387966784.db2.gz ZCCDQXYVXPQZKY-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nccs1 ZINC000424320633 387969774 /nfs/dbraw/zinc/96/97/74/387969774.db2.gz GBVVXCJFTUAKAN-KXUCPTDWSA-N 1 0 221.329 2.486 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000424296482 387957115 /nfs/dbraw/zinc/95/71/15/387957115.db2.gz ORVIFBWTRXQPRK-XUXIUFHCSA-N 1 0 239.359 2.125 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424337496 387980779 /nfs/dbraw/zinc/98/07/79/387980779.db2.gz ZFSSSZOGHLMGST-XYJRDEOASA-N 1 0 204.317 2.457 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCNC1 ZINC000423188631 387974226 /nfs/dbraw/zinc/97/42/26/387974226.db2.gz LVOUIUSPYFWCRE-OLZOCXBDSA-N 1 0 210.365 2.463 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424333040 387976692 /nfs/dbraw/zinc/97/66/92/387976692.db2.gz UEAQAFDXLRZFKS-FQUUOJAGSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCCNC1)C1CC1 ZINC000423192938 387978336 /nfs/dbraw/zinc/97/83/36/387978336.db2.gz QIODBAYCVPYMDL-OLZOCXBDSA-N 1 0 208.349 2.073 20 30 BEEDRO C=CCC[C@H](NCCC[NH2+]C)c1ccco1 ZINC000423200941 387987378 /nfs/dbraw/zinc/98/73/78/387987378.db2.gz NNFUKXNJXOVICP-LBPRGKRZSA-N 1 0 222.332 2.486 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000439274306 387989919 /nfs/dbraw/zinc/98/99/19/387989919.db2.gz OQZGPFDJFMXKPP-MELADBBJSA-N 1 0 241.375 2.467 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000245892902 387991084 /nfs/dbraw/zinc/99/10/84/387991084.db2.gz MNPXLQSQRMOBMS-YNEHKIRRSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CCC[C@H](N[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423208902 387993258 /nfs/dbraw/zinc/99/32/58/387993258.db2.gz FJXGIRXQOMHRTL-RYUDHWBXSA-N 1 0 220.316 2.238 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@@H]2CCCO[C@H]21 ZINC000245953168 387994597 /nfs/dbraw/zinc/99/45/97/387994597.db2.gz WVQLGGPUTOSIJC-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[N@@H+](C)CCc1ccncc1C ZINC000645885752 387984563 /nfs/dbraw/zinc/98/45/63/387984563.db2.gz CIYRMARLXCEQDI-UHFFFAOYSA-N 1 0 204.317 2.440 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453150070 387998562 /nfs/dbraw/zinc/99/85/62/387998562.db2.gz UCDLSMZYXSNBKQ-RYUDHWBXSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCCC[N@@H+]1CCCO[C@@H](CC)C1 ZINC000439473522 387999818 /nfs/dbraw/zinc/99/98/18/387999818.db2.gz AONGFYCVIPGVLS-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)N(C)C1CC1 ZINC000105488767 388019916 /nfs/dbraw/zinc/01/99/16/388019916.db2.gz URPSQUBISQEQCH-LBPRGKRZSA-N 1 0 243.354 2.131 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289845 388036342 /nfs/dbraw/zinc/03/63/42/388036342.db2.gz JFVIIJCVCJFFHA-QTVXIADOSA-N 1 0 249.402 2.387 20 30 BEEDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CCCN1C ZINC000446763562 388036900 /nfs/dbraw/zinc/03/69/00/388036900.db2.gz WXDKMNVASQNYLG-XJFOESAGSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCCOC1 ZINC000446759531 388037975 /nfs/dbraw/zinc/03/79/75/388037975.db2.gz GKNRMURBVBCGPV-IGQOVBAYSA-N 1 0 236.359 2.473 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CCCC#N)C(C)(C)O1 ZINC000156838768 388038086 /nfs/dbraw/zinc/03/80/86/388038086.db2.gz CBZXAKIEOQJKKE-JTQLQIEISA-N 1 0 210.321 2.226 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000446820722 388039998 /nfs/dbraw/zinc/03/99/98/388039998.db2.gz GZHIYXWYKGRCJL-AAVRWANBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCO1 ZINC000446825315 388040475 /nfs/dbraw/zinc/04/04/75/388040475.db2.gz YXEGWYSPSCXCPD-SYQHCUMBSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(O)CC(OCC)C1 ZINC000446832515 388041168 /nfs/dbraw/zinc/04/11/68/388041168.db2.gz BSZNXXZGZBVHRI-IWMBGFJWSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@@H]1C ZINC000453351127 388054984 /nfs/dbraw/zinc/05/49/84/388054984.db2.gz JEGQXAUNYPPBHE-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1CCO ZINC000083640360 388056379 /nfs/dbraw/zinc/05/63/79/388056379.db2.gz XOWQPRVWCCXIRB-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(C)on1 ZINC000453353126 388056526 /nfs/dbraw/zinc/05/65/26/388056526.db2.gz MQKKDFBVOPDHDW-WZRBSPASSA-N 1 0 236.315 2.367 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCC12CCC2 ZINC000453380977 388058843 /nfs/dbraw/zinc/05/88/43/388058843.db2.gz ZZZQKQAVSLFUKU-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000453362083 388059790 /nfs/dbraw/zinc/05/97/90/388059790.db2.gz NHQRGPCOTREXFE-GFCCVEGCSA-N 1 0 219.332 2.353 20 30 BEEDRO CCC(C)(C)OCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000453400702 388072703 /nfs/dbraw/zinc/07/27/03/388072703.db2.gz CSRNAIDKYXLXAC-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCC[C@H](CN)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423293535 388075664 /nfs/dbraw/zinc/07/56/64/388075664.db2.gz ADBWMUAVJCQLAG-JHJVBQTASA-N 1 0 223.364 2.176 20 30 BEEDRO CCCC[C@H](CN)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423293538 388076464 /nfs/dbraw/zinc/07/64/64/388076464.db2.gz ADBWMUAVJCQLAG-YNEHKIRRSA-N 1 0 223.364 2.176 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH+](CC)CC ZINC000424530962 388097172 /nfs/dbraw/zinc/09/71/72/388097172.db2.gz VCTDVQNYEDHGMU-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000424531736 388098207 /nfs/dbraw/zinc/09/82/07/388098207.db2.gz AOZRZCQLKYYJMQ-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO COC[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086035898 388099405 /nfs/dbraw/zinc/09/94/05/388099405.db2.gz IYKLFORWZHKXCE-GRTSSRMGSA-N 1 0 244.338 2.235 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000449247865 388160500 /nfs/dbraw/zinc/16/05/00/388160500.db2.gz HGCAGWRUGYFTBS-UMSGYPCISA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000449297587 388168615 /nfs/dbraw/zinc/16/86/15/388168615.db2.gz DKKCAHQPXLFNJR-ITGHMWBKSA-N 1 0 239.359 2.123 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CSC[C@@H]1C ZINC000449298299 388168841 /nfs/dbraw/zinc/16/88/41/388168841.db2.gz HGIVCYNOVGNYQC-RNJOBUHISA-N 1 0 241.400 2.309 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000249399900 388118532 /nfs/dbraw/zinc/11/85/32/388118532.db2.gz UUWPFPTVVKNILC-XUJVJEKNSA-N 1 0 244.338 2.322 20 30 BEEDRO CC#CC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646000410 388122245 /nfs/dbraw/zinc/12/22/45/388122245.db2.gz HSPXUQGOMZEKDU-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO C=CCC[NH2+][C@H](CCO)c1ccccc1F ZINC000646068187 388136174 /nfs/dbraw/zinc/13/61/74/388136174.db2.gz MBQIGTJKBFPPSO-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000449060258 388136821 /nfs/dbraw/zinc/13/68/21/388136821.db2.gz SELWWFLPTVGHRI-LBPRGKRZSA-N 1 0 226.364 2.236 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCCn2cccn2)CC1 ZINC000449070707 388139401 /nfs/dbraw/zinc/13/94/01/388139401.db2.gz DUNSLGTUAKQATR-UHFFFAOYSA-N 1 0 246.358 2.335 20 30 BEEDRO C=CC[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000646085750 388139505 /nfs/dbraw/zinc/13/95/05/388139505.db2.gz QAYWJPLDYNIJFZ-LBPRGKRZSA-N 1 0 209.333 2.115 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000449079145 388139713 /nfs/dbraw/zinc/13/97/13/388139713.db2.gz XHGCWIUVUONCND-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO COC[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449109044 388143736 /nfs/dbraw/zinc/14/37/36/388143736.db2.gz WZUQPAKQENMPRQ-HIFPTAJRSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CO)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449160583 388150414 /nfs/dbraw/zinc/15/04/14/388150414.db2.gz BRJGCWGSHYWQTK-ZSVAQUKISA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)[C@H]1CCOC1 ZINC000449159904 388150529 /nfs/dbraw/zinc/15/05/29/388150529.db2.gz JOWDFGRALZBISH-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO CC[C@H](COC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449163475 388151018 /nfs/dbraw/zinc/15/10/18/388151018.db2.gz MJBFYRPTAGQDSC-PNESKVBLSA-N 1 0 224.348 2.473 20 30 BEEDRO C#CC[N@H+](CC[C@@H]1CCOC1)C1CCCC1 ZINC000490719407 388249238 /nfs/dbraw/zinc/24/92/38/388249238.db2.gz MMWRIALTIPNOOK-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[N@@H+](CC)[C@H](COC)Cc1ccccc1 ZINC000490778783 388253669 /nfs/dbraw/zinc/25/36/69/388253669.db2.gz LDTPRDQZRYUGPH-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000490819999 388255515 /nfs/dbraw/zinc/25/55/15/388255515.db2.gz MCSKKXYVTNZVBW-CYBMUJFWSA-N 1 0 234.343 2.040 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCCCCC)CC1 ZINC000490841411 388255961 /nfs/dbraw/zinc/25/59/61/388255961.db2.gz UJXCTAZGORRPMK-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449428471 388202757 /nfs/dbraw/zinc/20/27/57/388202757.db2.gz RECOCTAUJOPESO-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO CC#CC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000162523790 388206410 /nfs/dbraw/zinc/20/64/10/388206410.db2.gz SJFASXHLZKDGMC-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCOC[C@H]1OC ZINC000449456209 388209816 /nfs/dbraw/zinc/20/98/16/388209816.db2.gz MBXDVPVXNYXLBU-IGQOVBAYSA-N 1 0 241.375 2.228 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccn(C(F)F)n1 ZINC000449470176 388212441 /nfs/dbraw/zinc/21/24/41/388212441.db2.gz AFHQSMUKUCIWLU-UHFFFAOYSA-N 1 0 215.247 2.334 20 30 BEEDRO CC[C@](C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)OC ZINC000449472628 388213021 /nfs/dbraw/zinc/21/30/21/388213021.db2.gz GDZKJWZJWOHMMU-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CC(=O)NC(C)(C)CC ZINC000489471455 388217652 /nfs/dbraw/zinc/21/76/52/388217652.db2.gz FYKJNOLOQUZUTH-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000489473925 388217734 /nfs/dbraw/zinc/21/77/34/388217734.db2.gz JKTQILVOGFBIFX-VHSXEESVSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1C=C ZINC000489504447 388220101 /nfs/dbraw/zinc/22/01/01/388220101.db2.gz ADISUNNSDDGXFN-OLZOCXBDSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000449519798 388221142 /nfs/dbraw/zinc/22/11/42/388221142.db2.gz NKRHZDVVTPQGKW-YFKTTZPYSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C)c1 ZINC000449517304 388222352 /nfs/dbraw/zinc/22/23/52/388222352.db2.gz FDWOOQXTTFTLAR-KGLIPLIRSA-N 1 0 217.312 2.428 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1sc(C)nc1C ZINC000449518416 388222578 /nfs/dbraw/zinc/22/25/78/388222578.db2.gz JOWOIDBXURJJCO-MNOVXSKESA-N 1 0 238.356 2.193 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449517425 388222981 /nfs/dbraw/zinc/22/29/81/388222981.db2.gz FPBQYJLHIPWFFY-LOWDOPEQSA-N 1 0 220.316 2.002 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000449520812 388223193 /nfs/dbraw/zinc/22/31/93/388223193.db2.gz QKCVCLUATDQIML-RTXFEEFZSA-N 1 0 218.300 2.076 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000456809801 388223431 /nfs/dbraw/zinc/22/34/31/388223431.db2.gz CKPWHTYWOWRUGQ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc2cccnc2o1 ZINC000449521950 388223402 /nfs/dbraw/zinc/22/34/02/388223402.db2.gz UFBISKHQRWNCIX-OLZOCXBDSA-N 1 0 244.294 2.261 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C)cn1 ZINC000449547581 388228819 /nfs/dbraw/zinc/22/88/19/388228819.db2.gz IWEUDPXPMSNIQJ-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449546899 388229360 /nfs/dbraw/zinc/22/93/60/388229360.db2.gz FFGUDFVZHNFWIJ-SYQHCUMBSA-N 1 0 234.343 2.392 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000449548447 388229978 /nfs/dbraw/zinc/22/99/78/388229978.db2.gz NIXWSOVUCYAXDS-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CCC1 ZINC000449548179 388230129 /nfs/dbraw/zinc/23/01/29/388230129.db2.gz LMZCDLBQFHXYGY-UHTWSYAYSA-N 1 0 209.333 2.498 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000037215337 388237818 /nfs/dbraw/zinc/23/78/18/388237818.db2.gz NOXOMBXNGUGPBN-SMDDNHRTSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449585683 388238391 /nfs/dbraw/zinc/23/83/91/388238391.db2.gz LUXWAYIBJWWQKM-BZPMIXESSA-N 1 0 246.358 2.023 20 30 BEEDRO CC[C@@H](CSC)[N@H+](C)CCCC#N ZINC000091097199 256576515 /nfs/dbraw/zinc/57/65/15/256576515.db2.gz UQUFOENMAGZIKP-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO CCc1ncc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)o1 ZINC000449611860 388243723 /nfs/dbraw/zinc/24/37/23/388243723.db2.gz ZCGWGJDCLSDULA-WDEREUQCSA-N 1 0 233.315 2.409 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449624191 388245296 /nfs/dbraw/zinc/24/52/96/388245296.db2.gz NDMPQYGTEIUAMQ-UTUOFQBUSA-N 1 0 222.332 2.083 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCOC1 ZINC000490689059 388247357 /nfs/dbraw/zinc/24/73/57/388247357.db2.gz MRFBSUODYZYKEU-CQSZACIVSA-N 1 0 247.313 2.297 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000491307567 388282498 /nfs/dbraw/zinc/28/24/98/388282498.db2.gz QSMLUJICSVMTPH-CYBMUJFWSA-N 1 0 239.359 2.263 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000491285700 388282531 /nfs/dbraw/zinc/28/25/31/388282531.db2.gz FDAHODLAQZTSKA-JTQLQIEISA-N 1 0 216.259 2.151 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000451611078 388283930 /nfs/dbraw/zinc/28/39/30/388283930.db2.gz WEMCBCGSVOWQNV-CABCVRRESA-N 1 0 245.297 2.110 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](OC)c1ccccc1 ZINC000451614700 388284340 /nfs/dbraw/zinc/28/43/40/388284340.db2.gz RZQYWYZDHHUKBI-ILXRZTDVSA-N 1 0 247.338 2.307 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451622409 388284921 /nfs/dbraw/zinc/28/49/21/388284921.db2.gz GFENOIDZRWJRQY-HZSPNIEDSA-N 1 0 222.376 2.367 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)cnn1C)C1CCCC1 ZINC000491348685 388287084 /nfs/dbraw/zinc/28/70/84/388287084.db2.gz DWXRBHSBMHDKCN-UHFFFAOYSA-N 1 0 231.343 2.106 20 30 BEEDRO C#CC[N@@H+](CCCOCC(F)(F)F)C1CC1 ZINC000491350620 388287300 /nfs/dbraw/zinc/28/73/00/388287300.db2.gz OQAMVYXEUMXXJS-UHFFFAOYSA-N 1 0 235.249 2.053 20 30 BEEDRO C#CC[N@@H+](Cc1ncccc1O)C1CCCC1 ZINC000491351380 388287642 /nfs/dbraw/zinc/28/76/42/388287642.db2.gz TVEXJBBTQAKJIH-UHFFFAOYSA-N 1 0 230.311 2.165 20 30 BEEDRO C#CC[N@H+](CCCC1CCOCC1)C1CC1 ZINC000491349555 388287757 /nfs/dbraw/zinc/28/77/57/388287757.db2.gz IWWLACZUKFYKFH-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000491371726 388289356 /nfs/dbraw/zinc/28/93/56/388289356.db2.gz GRSCDECEROAHJU-GFCCVEGCSA-N 1 0 231.343 2.500 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C(C)C ZINC000491371599 388289486 /nfs/dbraw/zinc/28/94/86/388289486.db2.gz FRVCYYYKKSIQBH-WCQYABFASA-N 1 0 205.301 2.458 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000451682707 388289719 /nfs/dbraw/zinc/28/97/19/388289719.db2.gz PSCINAFZYRFPLI-CVEARBPZSA-N 1 0 241.334 2.361 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CCC1 ZINC000451696174 388290251 /nfs/dbraw/zinc/29/02/51/388290251.db2.gz FWHZUAWPXBYWMY-RDBSUJKOSA-N 1 0 248.370 2.163 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CCC1 ZINC000451696171 388290516 /nfs/dbraw/zinc/29/05/16/388290516.db2.gz FWHZUAWPXBYWMY-HZSPNIEDSA-N 1 0 248.370 2.163 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451705525 388290773 /nfs/dbraw/zinc/29/07/73/388290773.db2.gz ZBSRYXUSVDAZSL-MCIONIFRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451701800 388290886 /nfs/dbraw/zinc/29/08/86/388290886.db2.gz RKXSZICPHLKCHW-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(OCC)n1)C(C)C ZINC000491393708 388291699 /nfs/dbraw/zinc/29/16/99/388291699.db2.gz JPAYTSJSRZNOIO-CYBMUJFWSA-N 1 0 232.327 2.228 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000491425518 388293764 /nfs/dbraw/zinc/29/37/64/388293764.db2.gz ACOQRRJGZXQTKD-LLVKDONJSA-N 1 0 240.306 2.394 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000491439209 388294961 /nfs/dbraw/zinc/29/49/61/388294961.db2.gz IIOKTCNSQDUUMT-CQSZACIVSA-N 1 0 243.354 2.183 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)C1CC1)C1CCCC1 ZINC000491450626 388295256 /nfs/dbraw/zinc/29/52/56/388295256.db2.gz BCSGBTZLWBRNNW-AWEZNQCLSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451780585 388295580 /nfs/dbraw/zinc/29/55/80/388295580.db2.gz NTRXGDPOUACLPX-CHWSQXEVSA-N 1 0 243.391 2.042 20 30 BEEDRO C[N@H+](CCCC#N)[C@H](CO)CC(C)(C)C ZINC000451784572 388295937 /nfs/dbraw/zinc/29/59/37/388295937.db2.gz UNVPJWIGRAAZIX-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000491466003 388296642 /nfs/dbraw/zinc/29/66/42/388296642.db2.gz YRDBAMBVFHQUAF-HIFRSBDPSA-N 1 0 235.371 2.415 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCN(c2nccs2)CC1 ZINC000491516369 388300303 /nfs/dbraw/zinc/30/03/03/388300303.db2.gz SNTXCBXKLQQVPR-LLVKDONJSA-N 1 0 249.383 2.113 20 30 BEEDRO C=C(CC)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000451846872 388300412 /nfs/dbraw/zinc/30/04/12/388300412.db2.gz RVQLGRHRQQVDLL-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CO[C@@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854782 388301537 /nfs/dbraw/zinc/30/15/37/388301537.db2.gz RJDKKANWTWXJGP-VXGBXAGGSA-N 1 0 234.343 2.180 20 30 BEEDRO C#CC[NH2+][C@H]1CCCN(C)c2ccccc21 ZINC000491537077 388302141 /nfs/dbraw/zinc/30/21/41/388302141.db2.gz OCEVYEWNJZHFSO-ZDUSSCGKSA-N 1 0 214.312 2.181 20 30 BEEDRO C#CC[N@H+](Cc1ccc2[nH]cnc2c1)C1CC1 ZINC000491543217 388302569 /nfs/dbraw/zinc/30/25/69/388302569.db2.gz FEYOINBQKJJECK-UHFFFAOYSA-N 1 0 225.295 2.161 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000491546718 388303012 /nfs/dbraw/zinc/30/30/12/388303012.db2.gz WZAJGXWNACEAMA-XQQFMLRXSA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@H](NC(NCC)=[NH+]CC)c1ccc(F)cc1 ZINC000491635306 388307020 /nfs/dbraw/zinc/30/70/20/388307020.db2.gz RSMZOUCPOGMXDW-ZDUSSCGKSA-N 1 0 247.317 2.075 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC1(Br)CC1 ZINC000491653189 388308059 /nfs/dbraw/zinc/30/80/59/388308059.db2.gz CEJUOESYQKEZNJ-UHFFFAOYSA-N 1 0 230.149 2.258 20 30 BEEDRO C#CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000491689599 388311052 /nfs/dbraw/zinc/31/10/52/388311052.db2.gz JBVCNEOQJJNFJK-LBPRGKRZSA-N 1 0 235.352 2.175 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000491701116 388312492 /nfs/dbraw/zinc/31/24/92/388312492.db2.gz DZBLDEPPWGNVQF-HUUCEWRRSA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@H](CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000491701044 388312656 /nfs/dbraw/zinc/31/26/56/388312656.db2.gz GWFUQIBVXXGEQZ-CQSZACIVSA-N 1 0 227.307 2.464 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1c(C)cc(OC)nc1C ZINC000491704762 388313118 /nfs/dbraw/zinc/31/31/18/388313118.db2.gz BTFQINFCKYPNQF-LLVKDONJSA-N 1 0 232.327 2.161 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000491706874 388313254 /nfs/dbraw/zinc/31/32/54/388313254.db2.gz FHTAGPMOPVDIMN-STMXVASLSA-N 1 0 244.338 2.447 20 30 BEEDRO C#CCn1ccc(CN(CC)CC(=C)CC)n1 ZINC000491777182 388319853 /nfs/dbraw/zinc/31/98/53/388319853.db2.gz WRFKHHLIBMTYNY-UHFFFAOYSA-N 1 0 231.343 2.304 20 30 BEEDRO C#CC[N@@H+](C)C[C@H]1CCCCC1(F)F ZINC000491785482 388321075 /nfs/dbraw/zinc/32/10/75/388321075.db2.gz SIOVMFDMEHBXJX-SNVBAGLBSA-N 1 0 201.260 2.377 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000491812848 388322993 /nfs/dbraw/zinc/32/29/93/388322993.db2.gz ORKAXIMVONVAGZ-NSHDSACASA-N 1 0 248.301 2.108 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)CC(=C)C ZINC000490986467 388263575 /nfs/dbraw/zinc/26/35/75/388263575.db2.gz SJEYTFOGHADLJF-UONOGXRCSA-N 1 0 249.354 2.230 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)CC(=C)C ZINC000490986465 388263702 /nfs/dbraw/zinc/26/37/02/388263702.db2.gz SJEYTFOGHADLJF-KBPBESRZSA-N 1 0 249.354 2.230 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367636 388265796 /nfs/dbraw/zinc/26/57/96/388265796.db2.gz KHVIPCXNGCXUIZ-LEOABGAYSA-N 1 0 247.382 2.458 20 30 BEEDRO C[C@@]12C[N@H+](CC3(C#N)CC3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379056 388267738 /nfs/dbraw/zinc/26/77/38/388267738.db2.gz YTCLPAPEVVWOER-RFGFWPKPSA-N 1 0 228.339 2.434 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(COC)cc1 ZINC000491069629 388268049 /nfs/dbraw/zinc/26/80/49/388268049.db2.gz XPIMPVBFHWGJMC-GFCCVEGCSA-N 1 0 217.312 2.287 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000451435362 388273350 /nfs/dbraw/zinc/27/33/50/388273350.db2.gz RAURFJZDIDWBOS-GFCCVEGCSA-N 1 0 246.301 2.018 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1cccc(OCC)n1 ZINC000491165592 388274473 /nfs/dbraw/zinc/27/44/73/388274473.db2.gz LYAIMXOWRPLNPE-UHFFFAOYSA-N 1 0 232.327 2.324 20 30 BEEDRO C#CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000491192474 388275456 /nfs/dbraw/zinc/27/54/56/388275456.db2.gz OTKMDYRXSYXTSX-KGLIPLIRSA-N 1 0 231.339 2.106 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000451486569 388277250 /nfs/dbraw/zinc/27/72/50/388277250.db2.gz JZRLJGLXJZOCSA-OUCADQQQSA-N 1 0 241.375 2.107 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000491252292 388278299 /nfs/dbraw/zinc/27/82/99/388278299.db2.gz HDSCNFVFLUOYPC-GXFFZTMASA-N 1 0 237.730 2.327 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCC(C)(C)O1)C1CC1 ZINC000491240767 388279143 /nfs/dbraw/zinc/27/91/43/388279143.db2.gz CPCRYBRQEMGVSX-GFCCVEGCSA-N 1 0 207.317 2.042 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000491240644 388279205 /nfs/dbraw/zinc/27/92/05/388279205.db2.gz BNSOFBOIIUFFJF-UHFFFAOYSA-N 1 0 228.270 2.295 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451522748 388279250 /nfs/dbraw/zinc/27/92/50/388279250.db2.gz BUFPQWZGVMYHOT-KBPBESRZSA-N 1 0 241.375 2.326 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCC(C)(C)O1)C1CC1 ZINC000491240768 388279361 /nfs/dbraw/zinc/27/93/61/388279361.db2.gz CPCRYBRQEMGVSX-LBPRGKRZSA-N 1 0 207.317 2.042 20 30 BEEDRO C=CCCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000359529482 256683525 /nfs/dbraw/zinc/68/35/25/256683525.db2.gz PEVIOGRTPLJKEJ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@@H]1O ZINC000089883020 388370074 /nfs/dbraw/zinc/37/00/74/388370074.db2.gz MNDMZKITVXWZLG-CABCVRRESA-N 1 0 244.338 2.294 20 30 BEEDRO CC[C@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000171648135 388405615 /nfs/dbraw/zinc/40/56/15/388405615.db2.gz HNJKJVAQFSEDJO-HNNXBMFYSA-N 1 0 244.338 2.294 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055977 388376320 /nfs/dbraw/zinc/37/63/20/388376320.db2.gz NSUWJPNWJPHNTL-AWEZNQCLSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055214 388376515 /nfs/dbraw/zinc/37/65/15/388376515.db2.gz BBWWXSFRVVZFFT-DOMZBBRYSA-N 1 0 244.338 2.115 20 30 BEEDRO CCOC1CC([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595055566 388376532 /nfs/dbraw/zinc/37/65/32/388376532.db2.gz GNKIUCWUJLXGOR-UHFFFAOYSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CCCO[C@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000646579814 388388291 /nfs/dbraw/zinc/38/82/91/388388291.db2.gz QEUXWMUUBAEYQU-LLVKDONJSA-N 1 0 248.326 2.065 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271504377 388391798 /nfs/dbraw/zinc/39/17/98/388391798.db2.gz OJWRBPJXEXNWOD-GHMZBOCLSA-N 1 0 234.299 2.056 20 30 BEEDRO CCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000232986209 388397629 /nfs/dbraw/zinc/39/76/29/388397629.db2.gz HGFWAAYRQAZDJM-UHFFFAOYSA-N 1 0 218.300 2.457 20 30 BEEDRO COc1ccccc1CNCC(C)(C)C#N ZINC000164696255 388397814 /nfs/dbraw/zinc/39/78/14/388397814.db2.gz NACDMPSTZJHDSS-UHFFFAOYSA-N 1 0 218.300 2.335 20 30 BEEDRO C[C@H](CCCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000294690032 388403532 /nfs/dbraw/zinc/40/35/32/388403532.db2.gz CFPZEOBZXXGCCW-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000393923048 388445713 /nfs/dbraw/zinc/44/57/13/388445713.db2.gz WNNAFIVBZSJHIG-SRVKXCTJSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(C#N)CC[NH2+]C(C)(C)CN1CCCC1 ZINC000308635420 388445816 /nfs/dbraw/zinc/44/58/16/388445816.db2.gz NOBDYBUEOVWHBN-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO CC[C@](C)(C[NH2+]Cc1cccc(C#N)c1)OC ZINC000322784206 388446887 /nfs/dbraw/zinc/44/68/87/388446887.db2.gz LVQBCFHFHAVERU-CQSZACIVSA-N 1 0 232.327 2.463 20 30 BEEDRO CC[C@@](C)(C[NH2+]Cc1cccc(C#N)c1)OC ZINC000322784205 388446985 /nfs/dbraw/zinc/44/69/85/388446985.db2.gz LVQBCFHFHAVERU-AWEZNQCLSA-N 1 0 232.327 2.463 20 30 BEEDRO CC1(C)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528367022 388451316 /nfs/dbraw/zinc/45/13/16/388451316.db2.gz HLZGOTFKXGCTBJ-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CC1(O)CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000335990266 388454867 /nfs/dbraw/zinc/45/48/67/388454867.db2.gz YXCMJDRTPPGQOW-UHFFFAOYSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCCCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000649224248 388462482 /nfs/dbraw/zinc/46/24/82/388462482.db2.gz PBVYRRYPQJKSFN-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1cccs1 ZINC000649237544 388465304 /nfs/dbraw/zinc/46/53/04/388465304.db2.gz VDFKZSFKSBFSSL-LLVKDONJSA-N 1 0 211.330 2.117 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000170819665 388468808 /nfs/dbraw/zinc/46/88/08/388468808.db2.gz VIDRNZZBWVYDSM-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C(C)C ZINC000309996127 388471822 /nfs/dbraw/zinc/47/18/22/388471822.db2.gz ZBOSUPVTJMVDLD-KBPBESRZSA-N 1 0 235.302 2.107 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C(C)C ZINC000309996129 388472170 /nfs/dbraw/zinc/47/21/70/388472170.db2.gz ZBOSUPVTJMVDLD-KGLIPLIRSA-N 1 0 235.302 2.107 20 30 BEEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCOCCC#N ZINC000339009501 388477806 /nfs/dbraw/zinc/47/78/06/388477806.db2.gz KJKLAIOBHLHKMU-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC1(CC)CC[N@H+](CCOCCC#N)C1 ZINC000339016051 388478869 /nfs/dbraw/zinc/47/88/69/388478869.db2.gz YBHHTKIPSUKHKM-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271986368 388417357 /nfs/dbraw/zinc/41/73/57/388417357.db2.gz YFBYHLVSAWDYDW-NXEZZACHSA-N 1 0 236.290 2.119 20 30 BEEDRO CC[C@H](CCO)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443992166 388421969 /nfs/dbraw/zinc/42/19/69/388421969.db2.gz XVIUXXFCZYALGR-CYBMUJFWSA-N 1 0 246.354 2.365 20 30 BEEDRO CCS[C@H]1CCC[C@H]1[NH2+]CCOCCC#N ZINC000339182741 388479746 /nfs/dbraw/zinc/47/97/46/388479746.db2.gz BZOZKKPCGSJWNH-NEPJUHHUSA-N 1 0 242.388 2.180 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000322369127 388433350 /nfs/dbraw/zinc/43/33/50/388433350.db2.gz YVLWGWGGKSMNEQ-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCC[C@H]1O ZINC000245972474 388435770 /nfs/dbraw/zinc/43/57/70/388435770.db2.gz OFAGDCHHROVBSK-SMDDNHRTSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000094941662 388438356 /nfs/dbraw/zinc/43/83/56/388438356.db2.gz QOLIDTAIYNHPCC-NEPJUHHUSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCC(=O)N(CC)C[C@H]1CCC[N@@H+]1CC ZINC000548453997 388539885 /nfs/dbraw/zinc/53/98/85/388539885.db2.gz HRINKFIMCNWDQG-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCNC(=O)CCCC[NH+](C)C ZINC000516523763 256779868 /nfs/dbraw/zinc/77/98/68/256779868.db2.gz VUQPOVNBRGRHIG-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC1(C#N)CC1 ZINC000528560601 388547055 /nfs/dbraw/zinc/54/70/55/388547055.db2.gz LHHPVZXOHXEEKN-WTUNAVPPSA-N 1 0 248.370 2.304 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339754657 388486261 /nfs/dbraw/zinc/48/62/61/388486261.db2.gz UFQVEMNNBRYYCJ-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO C=CCCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000177767731 388490944 /nfs/dbraw/zinc/49/09/44/388490944.db2.gz KESZXJFZMJBQKO-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO COCC[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342694604 388499428 /nfs/dbraw/zinc/49/94/28/388499428.db2.gz OGZUBCSOCXJUEN-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397810993 388501999 /nfs/dbraw/zinc/50/19/99/388501999.db2.gz OGHKSZYHJARIRT-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000347477374 388522970 /nfs/dbraw/zinc/52/29/70/388522970.db2.gz PZKVLZZODHSLMP-ZDUSSCGKSA-N 1 0 246.354 2.345 20 30 BEEDRO C=CC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591121 388549989 /nfs/dbraw/zinc/54/99/89/388549989.db2.gz DBVJOPAXNLYDRG-UHFFFAOYSA-N 1 0 231.343 2.318 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000136314892 388530492 /nfs/dbraw/zinc/53/04/92/388530492.db2.gz DJGGYXNIZBMASU-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000649303428 388586575 /nfs/dbraw/zinc/58/65/75/388586575.db2.gz RQWONARUSIKHAL-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000649303429 388586655 /nfs/dbraw/zinc/58/66/55/388586655.db2.gz RQWONARUSIKHAL-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000185667765 388590351 /nfs/dbraw/zinc/59/03/51/388590351.db2.gz GQFOOKXLENYVOO-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)C(C)C ZINC000185918111 388593942 /nfs/dbraw/zinc/59/39/42/388593942.db2.gz KKMOAZBZVYOEJA-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO C[NH+](C)[C@H](CNc1ccc(C#N)cc1)C1CC1 ZINC000106469345 388595552 /nfs/dbraw/zinc/59/55/52/388595552.db2.gz JAEIWQNTQDVYIX-CQSZACIVSA-N 1 0 229.327 2.310 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000550127932 388599568 /nfs/dbraw/zinc/59/95/68/388599568.db2.gz OYHJEFLMSMMNKS-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](CC)CC1 ZINC000649315980 388604378 /nfs/dbraw/zinc/60/43/78/388604378.db2.gz HWTKSYQNXPKLFG-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CCCC[N@H+](C)CCNc1cccnc1C#N ZINC000357256913 388613324 /nfs/dbraw/zinc/61/33/24/388613324.db2.gz BBFNFPAINOQNJD-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528725305 388562704 /nfs/dbraw/zinc/56/27/04/388562704.db2.gz PYBLQRVUJLPUGJ-KGLIPLIRSA-N 1 0 241.375 2.469 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@H](C)O1 ZINC000414515253 388665019 /nfs/dbraw/zinc/66/50/19/388665019.db2.gz NAGHGYNQTGEDKX-OUAUKWLOSA-N 1 0 234.299 2.054 20 30 BEEDRO COC[C@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000519754298 388667299 /nfs/dbraw/zinc/66/72/99/388667299.db2.gz LLVKBCSGJWCJGA-GFCCVEGCSA-N 1 0 244.338 2.419 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@H](C)S1 ZINC000520423568 388667992 /nfs/dbraw/zinc/66/79/92/388667992.db2.gz GAOLJGZKGKDSLX-QWRGUYRKSA-N 1 0 247.367 2.279 20 30 BEEDRO COCCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000418133806 388675451 /nfs/dbraw/zinc/67/54/51/388675451.db2.gz LIZAMWMRIUCJQO-UHFFFAOYSA-N 1 0 238.356 2.478 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000113750712 388677207 /nfs/dbraw/zinc/67/72/07/388677207.db2.gz SIYFQYNYGSRAFR-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000077897274 388678397 /nfs/dbraw/zinc/67/83/97/388678397.db2.gz MMZGQFSRJXTACD-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc(OC(F)F)c1 ZINC000064992881 388679903 /nfs/dbraw/zinc/67/99/03/388679903.db2.gz RWEYOOOPAISSBY-UHFFFAOYSA-N 1 0 225.238 2.353 20 30 BEEDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000313130340 388681593 /nfs/dbraw/zinc/68/15/93/388681593.db2.gz BQSFEMCXOWGTCK-VXGBXAGGSA-N 1 0 238.356 2.259 20 30 BEEDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(C#N)CC1 ZINC000552215563 388681987 /nfs/dbraw/zinc/68/19/87/388681987.db2.gz VJSCFFVKZFBVCT-LLVKDONJSA-N 1 0 230.311 2.217 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)CC1(F)CC1 ZINC000525977497 388682643 /nfs/dbraw/zinc/68/26/43/388682643.db2.gz LKDAEZUDINGTGX-UHFFFAOYSA-N 1 0 218.275 2.492 20 30 BEEDRO Cc1ccnc(N[C@H]2CCC[C@@H]2[NH+](C)C)c1C#N ZINC000357777670 388618556 /nfs/dbraw/zinc/61/85/56/388618556.db2.gz FSQYKGSZGWQJQL-STQMWFEESA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1ccc(NC[C@H]2CCC[N@@H+](C)C2)nc1C#N ZINC000302621193 388623461 /nfs/dbraw/zinc/62/34/61/388623461.db2.gz GYGQVNSVBWDQJD-GFCCVEGCSA-N 1 0 244.342 2.015 20 30 BEEDRO CC(C)[N@H+](C)CCNc1c(C#N)cccc1C#N ZINC000302896336 388628340 /nfs/dbraw/zinc/62/83/40/388628340.db2.gz RBQYWCGURKEKGS-UHFFFAOYSA-N 1 0 242.326 2.182 20 30 BEEDRO N#CCC[N@H+](CC[C@H]1CCCO1)CC1CC1 ZINC000189499266 388635084 /nfs/dbraw/zinc/63/50/84/388635084.db2.gz XENZGOSVQLDGTB-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000230151845 388635129 /nfs/dbraw/zinc/63/51/29/388635129.db2.gz JTYMWNOFPWYUFW-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230313411 388636230 /nfs/dbraw/zinc/63/62/30/388636230.db2.gz ZNINIZDLTWEBIO-CABCVRRESA-N 1 0 242.322 2.215 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000230313414 388636329 /nfs/dbraw/zinc/63/63/29/388636329.db2.gz ZNINIZDLTWEBIO-GJZGRUSLSA-N 1 0 242.322 2.215 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316307 388636724 /nfs/dbraw/zinc/63/67/24/388636724.db2.gz DCWPKUIIWWDLSW-GJZGRUSLSA-N 1 0 242.322 2.215 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000189544349 388637468 /nfs/dbraw/zinc/63/74/68/388637468.db2.gz YZOSIEGUKYMANN-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO C=C(CC)C[N@H+]1CCCC[C@H]1CC(=O)NCC ZINC000551720279 388638280 /nfs/dbraw/zinc/63/82/80/388638280.db2.gz RHKDEDSOZYISES-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000230689218 388638915 /nfs/dbraw/zinc/63/89/15/388638915.db2.gz XNSWAKACNLPMRF-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000304274582 388640126 /nfs/dbraw/zinc/64/01/26/388640126.db2.gz CNYFUIGWYMFWDP-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCC[C@@H]1O ZINC000061947953 388648176 /nfs/dbraw/zinc/64/81/76/388648176.db2.gz FKTRZEFCNCMRSH-GJZGRUSLSA-N 1 0 244.338 2.294 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)cn1)CC1CC1 ZINC000515495526 388649168 /nfs/dbraw/zinc/64/91/68/388649168.db2.gz GQXDFRNRUQJVHT-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C[C@H]1CSCC[N@H+](CCCCC#N)C1 ZINC000190392438 388649606 /nfs/dbraw/zinc/64/96/06/388649606.db2.gz NGYOTQWNTRPFJC-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO C[C@@H]1CSCC[N@H+](CCCCC#N)C1 ZINC000190392457 388649652 /nfs/dbraw/zinc/64/96/52/388649652.db2.gz NGYOTQWNTRPFJC-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO COc1cc(C#N)ccc1OC1CC[NH+](C)CC1 ZINC000062621794 388654174 /nfs/dbraw/zinc/65/41/74/388654174.db2.gz WXEVTBVKGYSXIO-UHFFFAOYSA-N 1 0 246.310 2.040 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(C#N)n(C)c1 ZINC000191442013 388662575 /nfs/dbraw/zinc/66/25/75/388662575.db2.gz AVHVQBMPKGAPJN-GHMZBOCLSA-N 1 0 217.316 2.270 20 30 BEEDRO CC(C)[N@H+](C)CCNc1cccc(F)c1C#N ZINC000112090980 388662955 /nfs/dbraw/zinc/66/29/55/388662955.db2.gz JJBSKHUEIWFTFG-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO COCC[C@@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000414486280 388664617 /nfs/dbraw/zinc/66/46/17/388664617.db2.gz SWSZYDNCEDPCTI-SNVBAGLBSA-N 1 0 238.356 2.382 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1C#N ZINC000414594257 388664932 /nfs/dbraw/zinc/66/49/32/388664932.db2.gz RUGACKAEYLQBMF-CHWSQXEVSA-N 1 0 241.294 2.135 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000447575642 388737043 /nfs/dbraw/zinc/73/70/43/388737043.db2.gz UGCAINIRELOSMU-KBPBESRZSA-N 1 0 230.311 2.388 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276896519 388743282 /nfs/dbraw/zinc/74/32/82/388743282.db2.gz IJXRDQUPGIYBBM-UWVGGRQHSA-N 1 0 236.290 2.383 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820707 388746541 /nfs/dbraw/zinc/74/65/41/388746541.db2.gz RMQWHIQKEQWPQC-CYBMUJFWSA-N 1 0 248.351 2.232 20 30 BEEDRO CCC1([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000449412982 388749445 /nfs/dbraw/zinc/74/94/45/388749445.db2.gz HCNAHJKTKUPFGL-UHFFFAOYSA-N 1 0 240.310 2.238 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000019963515 388753210 /nfs/dbraw/zinc/75/32/10/388753210.db2.gz APZMGIKHASDMBW-SMDDNHRTSA-N 1 0 230.311 2.388 20 30 BEEDRO CC[NH2+]CCN[C@@H](CC)c1ccc(C#N)cc1 ZINC000423245565 388689380 /nfs/dbraw/zinc/68/93/80/388689380.db2.gz YQPSFUVPPNPKSZ-AWEZNQCLSA-N 1 0 231.343 2.208 20 30 BEEDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1F ZINC000423272210 388690384 /nfs/dbraw/zinc/69/03/84/388690384.db2.gz JPYSHYKLPZSZSV-QMTHXVAHSA-N 1 0 249.333 2.331 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc(C#N)c1 ZINC000423358309 388690668 /nfs/dbraw/zinc/69/06/68/388690668.db2.gz JICDPUIJRGUCNU-TYNCELHUSA-N 1 0 243.354 2.207 20 30 BEEDRO CC[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440118 388693000 /nfs/dbraw/zinc/69/30/00/388693000.db2.gz AOPNTEDAHAKXHK-SUNKGSAMSA-N 1 0 231.343 2.335 20 30 BEEDRO CC[C@H](N[C@H](C)[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440119 388693144 /nfs/dbraw/zinc/69/31/44/388693144.db2.gz AOPNTEDAHAKXHK-WDMOLILDSA-N 1 0 231.343 2.335 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000527804616 388700892 /nfs/dbraw/zinc/70/08/92/388700892.db2.gz QPWRBIHDLBTSTB-NWJSVONSSA-N 1 0 244.338 2.460 20 30 BEEDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cc(C#N)cs1 ZINC000527766731 388701299 /nfs/dbraw/zinc/70/12/99/388701299.db2.gz QBGGQVUGOKHFDV-MFKMUULPSA-N 1 0 248.351 2.277 20 30 BEEDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1ccc(C#N)cc1 ZINC000527981214 388701548 /nfs/dbraw/zinc/70/15/48/388701548.db2.gz LYUQQFLOGXDZDX-ZOODHJKOSA-N 1 0 242.322 2.388 20 30 BEEDRO CCCN(CC)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248996911 388702928 /nfs/dbraw/zinc/70/29/28/388702928.db2.gz PEEOTMZFTIAIFQ-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000249036262 388704970 /nfs/dbraw/zinc/70/49/70/388704970.db2.gz MRVKCTGEJUOQTH-NEPJUHHUSA-N 1 0 229.389 2.141 20 30 BEEDRO CC[C@@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539791 388707096 /nfs/dbraw/zinc/70/70/96/388707096.db2.gz UQSWFPQOGRQXDE-SMDDNHRTSA-N 1 0 232.327 2.322 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000127152957 388715585 /nfs/dbraw/zinc/71/55/85/388715585.db2.gz SFPVWYURNSDEAZ-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)[N@H+](C)CCCNCc1ccc(C#N)cc1 ZINC000069675420 388724538 /nfs/dbraw/zinc/72/45/38/388724538.db2.gz GBNILUFAERWQBV-UHFFFAOYSA-N 1 0 245.370 2.378 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(OC)c1 ZINC000229514160 388791977 /nfs/dbraw/zinc/79/19/77/388791977.db2.gz ZJLVQBGKZYJAHT-GFCCVEGCSA-N 1 0 203.285 2.197 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000229522249 388792164 /nfs/dbraw/zinc/79/21/64/388792164.db2.gz HHOXKKZNVDZJNI-JTQLQIEISA-N 1 0 209.239 2.466 20 30 BEEDRO CSCCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000281128052 388792401 /nfs/dbraw/zinc/79/24/01/388792401.db2.gz CRJGGKIRTRLUKF-UHFFFAOYSA-N 1 0 224.329 2.336 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)cc1 ZINC000229508517 388792579 /nfs/dbraw/zinc/79/25/79/388792579.db2.gz YGOHCMFHMPEJAT-LBPRGKRZSA-N 1 0 203.285 2.197 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000229529681 388793934 /nfs/dbraw/zinc/79/39/34/388793934.db2.gz LTFWXESYZDDNRB-QWRGUYRKSA-N 1 0 205.276 2.368 20 30 BEEDRO CC[C@H](COC)[NH2+]CC(C)(C)CCC#N ZINC000229696258 388798588 /nfs/dbraw/zinc/79/85/88/388798588.db2.gz TZAVQYLSKSSVEA-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(OC)ccc1OC ZINC000229877714 388801997 /nfs/dbraw/zinc/80/19/97/388801997.db2.gz YVCAALDLSPIGMK-GFCCVEGCSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000229880524 388802702 /nfs/dbraw/zinc/80/27/02/388802702.db2.gz CDNWPJOQTTVLQJ-CYBMUJFWSA-N 1 0 230.311 2.146 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000229890778 388802756 /nfs/dbraw/zinc/80/27/56/388802756.db2.gz DTNOWPSIVPFLFP-GFCCVEGCSA-N 1 0 232.283 2.405 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000229890774 388803229 /nfs/dbraw/zinc/80/32/29/388803229.db2.gz DTNOWPSIVPFLFP-LBPRGKRZSA-N 1 0 232.283 2.405 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000229897325 388803704 /nfs/dbraw/zinc/80/37/04/388803704.db2.gz CVLQVELQCIUEEC-GFCCVEGCSA-N 1 0 233.311 2.292 20 30 BEEDRO C#C[C@@H](CC)NCc1c(F)cccc1F ZINC000229884715 388803816 /nfs/dbraw/zinc/80/38/16/388803816.db2.gz HEMABPHINANCCU-VIFPVBQESA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000229900281 388805226 /nfs/dbraw/zinc/80/52/26/388805226.db2.gz IOQYJNJEJNDOGH-ZDUSSCGKSA-N 1 0 240.306 2.442 20 30 BEEDRO C=CCC(C)(C)CNC(=O)CCCC[NH+](C)C ZINC000554433957 388814279 /nfs/dbraw/zinc/81/42/79/388814279.db2.gz HMEIOEFJFFPGIO-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000282309731 388814998 /nfs/dbraw/zinc/81/49/98/388814998.db2.gz MWPFUPNVAZAVEN-WDEREUQCSA-N 1 0 234.299 2.151 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCC[C@H]1O ZINC000335150418 388828021 /nfs/dbraw/zinc/82/80/21/388828021.db2.gz PWWDYABUAUJKCH-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000648763567 388846916 /nfs/dbraw/zinc/84/69/16/388846916.db2.gz HSEBUMJKSJXSLF-SYQHCUMBSA-N 1 0 239.359 2.267 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000564806804 388890786 /nfs/dbraw/zinc/89/07/86/388890786.db2.gz CUTLEJYGKZHYMF-FRRDWIJNSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000565205711 388925405 /nfs/dbraw/zinc/92/54/05/388925405.db2.gz CVLOLQWEBWFBRH-GFCCVEGCSA-N 1 0 249.358 2.451 20 30 BEEDRO N#Cc1cc(Cl)ccc1N1CCC([NH3+])CC1 ZINC000052858512 132229508 /nfs/dbraw/zinc/22/95/08/132229508.db2.gz YBEQVSSHODXPAF-UHFFFAOYSA-N 1 0 235.718 2.139 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000565596331 388957121 /nfs/dbraw/zinc/95/71/21/388957121.db2.gz GDVINGFSGRPYKY-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@H]1CCC[N@H+](CCCC[NH2+]CCC#N)C1 ZINC000565887002 388976734 /nfs/dbraw/zinc/97/67/34/388976734.db2.gz BYWMIXGYIZDOMF-ZDUSSCGKSA-N 1 0 223.364 2.002 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000565906126 388977698 /nfs/dbraw/zinc/97/76/98/388977698.db2.gz XPPGOPNONCJMCJ-UONOGXRCSA-N 1 0 240.391 2.089 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H](CNCCC#N)C(C)C ZINC000566116974 388989068 /nfs/dbraw/zinc/98/90/68/388989068.db2.gz LIFWJMXHAHRWCQ-AWEZNQCLSA-N 1 0 235.375 2.188 20 30 BEEDRO C=CCCCC[NH2+]Cc1c(C)n[nH]c1C ZINC000274419505 389047536 /nfs/dbraw/zinc/04/75/36/389047536.db2.gz GPHUMWPCQFBVCN-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1ccc(F)cn1 ZINC000273304337 389039041 /nfs/dbraw/zinc/03/90/41/389039041.db2.gz VIHJUQXVKOUKTG-VIFPVBQESA-N 1 0 207.252 2.175 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1csc(C)n1 ZINC000273384662 389041337 /nfs/dbraw/zinc/04/13/37/389041337.db2.gz CQBKVJNVRQUVDX-WCBMZHEXSA-N 1 0 226.345 2.039 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)CC(=O)OC(C)(C)C ZINC001172496365 974845452 /nfs/dbraw/zinc/84/54/52/974845452.db2.gz MFLHNLBRRMZAOU-NSHDSACASA-N 1 0 240.347 2.342 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001172494411 974844743 /nfs/dbraw/zinc/84/47/43/974844743.db2.gz UDYDDLXAWRZMLT-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000289319288 533234886 /nfs/dbraw/zinc/23/48/86/533234886.db2.gz FNYBOWLLTQPBDI-IUODEOHRSA-N 1 0 249.329 2.385 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000123110364 533234906 /nfs/dbraw/zinc/23/49/06/533234906.db2.gz AGAQVAQONRAROP-RISCZKNCSA-N 1 0 229.323 2.164 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000262534725 533235481 /nfs/dbraw/zinc/23/54/81/533235481.db2.gz PYJMGVWDLWANJC-LBPRGKRZSA-N 1 0 229.327 2.442 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC(c2nc(CC)no2)CC1 ZINC000377633014 533296679 /nfs/dbraw/zinc/29/66/79/533296679.db2.gz UDBHMOMWIRGARM-UNXYVOJBSA-N 1 0 247.342 2.270 20 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BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000342011913 533535103 /nfs/dbraw/zinc/53/51/03/533535103.db2.gz NHDZMNFBJQTWQA-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358687512 533535598 /nfs/dbraw/zinc/53/55/98/533535598.db2.gz UDWKUZUHAYKGGD-YNEHKIRRSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCCSC1 ZINC000309699653 533541051 /nfs/dbraw/zinc/54/10/51/533541051.db2.gz SJYUWAKRBCCRDM-AGIUHOORSA-N 1 0 241.400 2.453 20 30 BEEDRO C#CCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC001645962892 1172700856 /nfs/dbraw/zinc/70/08/56/1172700856.db2.gz UCGXWGMKMQEVNQ-UHFFFAOYSA-N 1 0 242.322 2.030 20 30 BEEDRO C[C@H]([NH3+])C1CCN(c2ccc(C#N)cc2)CC1 ZINC000110651822 132267627 /nfs/dbraw/zinc/26/76/27/132267627.db2.gz FRPGNGBKHMNLGG-NSHDSACASA-N 1 0 229.327 2.122 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2ccccc2O)CC1 ZINC000274802339 132306052 /nfs/dbraw/zinc/30/60/52/132306052.db2.gz VONBRQLUPWJSRG-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001172496729 974848069 /nfs/dbraw/zinc/84/80/69/974848069.db2.gz PLPCRESQGWBOIO-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000308856383 133450858 /nfs/dbraw/zinc/45/08/58/133450858.db2.gz QEVXSBYMVZYYFI-MNOVXSKESA-N 1 0 204.273 2.104 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000308871610 133451242 /nfs/dbraw/zinc/45/12/42/133451242.db2.gz KAWQWBDZSLWGOR-FRRDWIJNSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC12CCC2 ZINC000308942864 133452034 /nfs/dbraw/zinc/45/20/34/133452034.db2.gz QZIKRNUQGUKEJC-RYUDHWBXSA-N 1 0 209.333 2.093 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309089938 133455735 /nfs/dbraw/zinc/45/57/35/133455735.db2.gz ASYGOHWVBOBNLY-KXNHARMFSA-N 1 0 224.373 2.410 20 30 BEEDRO CNC(=[NH2+])NC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000286773305 133566526 /nfs/dbraw/zinc/56/65/26/133566526.db2.gz IHVZRQHGGDIHRN-LLVKDONJSA-N 1 0 249.358 2.111 20 30 BEEDRO C=CCCC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000091077013 133665043 /nfs/dbraw/zinc/66/50/43/133665043.db2.gz SXGLLMINOYYKPU-UHFFFAOYSA-N 1 0 245.370 2.165 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000343584078 133697475 /nfs/dbraw/zinc/69/74/75/133697475.db2.gz AYKSYYSEZWZIAC-SWLSCSKDSA-N 1 0 244.338 2.115 20 30 BEEDRO COc1cc(C[NH2+]Cc2cc[nH]c2)ccc1C#N ZINC000353241179 133912789 /nfs/dbraw/zinc/91/27/89/133912789.db2.gz LFCWFKJIWOCNBO-UHFFFAOYSA-N 1 0 241.294 2.185 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000332459958 134004883 /nfs/dbraw/zinc/00/48/83/134004883.db2.gz PGTHAUSXWMFKOF-QWHCGFSZSA-N 1 0 236.359 2.211 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@H](O)C2CCC2)CC1 ZINC000332448472 134005042 /nfs/dbraw/zinc/00/50/42/134005042.db2.gz GMXFHKZNTSSNMT-MOKVOYLWSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1C[C@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335968481 134028979 /nfs/dbraw/zinc/02/89/79/134028979.db2.gz CTWMKCBZEBJESM-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@@H+]1CCCC12CCN([C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967937 134029009 /nfs/dbraw/zinc/02/90/09/134029009.db2.gz OPYUJLGSPUJDES-ZIAGYGMSSA-N 1 0 247.386 2.239 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000335969037 134029411 /nfs/dbraw/zinc/02/94/11/134029411.db2.gz PSYZWQQPKWZBOH-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000335969040 134029470 /nfs/dbraw/zinc/02/94/70/134029470.db2.gz PSYZWQQPKWZBOH-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO CCOC1CC(C[N@H+](CC)CCC#N)C1 ZINC000352012737 134036240 /nfs/dbraw/zinc/03/62/40/134036240.db2.gz GLAMWTIHDWGEFN-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C2CCC2)CC1 ZINC000352024232 134040552 /nfs/dbraw/zinc/04/05/52/134040552.db2.gz DZJBSGUNIAAXOU-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@@H]1[C@H](C)N(Cc2ccc(C#N)cc2)CC[N@H+]1C ZINC000336028623 134057503 /nfs/dbraw/zinc/05/75/03/134057503.db2.gz 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/nfs/dbraw/zinc/38/98/51/134389851.db2.gz HQTYCDIOIDZRIE-KBPBESRZSA-N 1 0 244.338 2.461 20 30 BEEDRO CCN(CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000185807428 134391284 /nfs/dbraw/zinc/39/12/84/134391284.db2.gz DFGONDXVTIUMMT-QWHCGFSZSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000185755660 134393714 /nfs/dbraw/zinc/39/37/14/134393714.db2.gz WBZYSRYAUPXUNT-MNOVXSKESA-N 1 0 204.273 2.452 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309366622 134396247 /nfs/dbraw/zinc/39/62/47/134396247.db2.gz PRHXLZQSMYCLPZ-FRRDWIJNSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000185858236 134397944 /nfs/dbraw/zinc/39/79/44/134397944.db2.gz BSYGIDSZQKVPKG-OBJOEFQTSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000309583659 134463790 /nfs/dbraw/zinc/46/37/90/134463790.db2.gz UPMKNORHSDKTBF-UHFFFAOYSA-N 1 0 221.344 2.481 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C)s1 ZINC000104162252 134484788 /nfs/dbraw/zinc/48/47/88/134484788.db2.gz BXEYVGUDXAUQFM-UHFFFAOYSA-N 1 0 223.345 2.037 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)C[NH2+]C ZINC000237280694 134520931 /nfs/dbraw/zinc/52/09/31/134520931.db2.gz WUFSLCUCTOXTDN-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO CCC1(C[NH2+]CC2(CC#N)CC2)CCOCC1 ZINC000310381567 134522246 /nfs/dbraw/zinc/52/22/46/134522246.db2.gz GZBPYECDJSMKHE-UHFFFAOYSA-N 1 0 236.359 2.477 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000232316098 134551161 /nfs/dbraw/zinc/55/11/61/134551161.db2.gz WOFWWJSPWPCVMF-PWSUYJOCSA-N 1 0 217.316 2.175 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309480188 134598143 /nfs/dbraw/zinc/59/81/43/134598143.db2.gz SVPOXDGYXJSZLG-IALDZJHCSA-N 1 0 224.348 2.329 20 30 BEEDRO CC#CCC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000125560857 134608452 /nfs/dbraw/zinc/60/84/52/134608452.db2.gz LQAGNRGOWNHMPB-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO CC[C@@H](O)CC[NH2+]CC(C)(C)CCC#N ZINC000131687030 134632777 /nfs/dbraw/zinc/63/27/77/134632777.db2.gz FMAXCCIJEQMBGM-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000245385311 134853078 /nfs/dbraw/zinc/85/30/78/134853078.db2.gz BRWKTONEZQEHCM-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC[C@@]1([NH2+]CCC(C)(C)C#N)CCOC1 ZINC000336681752 134899211 /nfs/dbraw/zinc/89/92/11/134899211.db2.gz DAXGIKYWRNGWGB-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000070113329 134909999 /nfs/dbraw/zinc/90/99/99/134909999.db2.gz DMWADLVHTBCEQX-FVCCEPFGSA-N 1 0 238.375 2.091 20 30 BEEDRO [NH2+]=C(NCc1ccoc1)NC1CCCCCC1 ZINC000179860570 134912606 /nfs/dbraw/zinc/91/26/06/134912606.db2.gz JMFDCEWBVOWRAQ-UHFFFAOYSA-N 1 0 235.331 2.407 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)CC(F)F ZINC000336738522 134920004 /nfs/dbraw/zinc/92/00/04/134920004.db2.gz RHDJSDVFSMTQMP-VHSXEESVSA-N 1 0 221.291 2.337 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)ccn1 ZINC000185711534 134931639 /nfs/dbraw/zinc/93/16/39/134931639.db2.gz VQSNPCHBOZAYPH-AAEUAGOBSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)C1CCCC1 ZINC000336771964 134963165 /nfs/dbraw/zinc/96/31/65/134963165.db2.gz XTKWYVONRXZPCB-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2CC)C1=O ZINC000337126429 135000662 /nfs/dbraw/zinc/00/06/62/135000662.db2.gz FXRPUGAHEDXEMG-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H]1CC[N@H+](CCCSCC#N)[C@H]1C ZINC000248372319 135000711 /nfs/dbraw/zinc/00/07/11/135000711.db2.gz ZUGMPUOQCDZVOW-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CCC)CC(C)C)C1=O ZINC000337144061 135002909 /nfs/dbraw/zinc/00/29/09/135002909.db2.gz WDMPOGXVKFIUIT-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](CC)C[C@@H](C)CC)C1=O ZINC000337200459 135005810 /nfs/dbraw/zinc/00/58/10/135005810.db2.gz ZSAZZEGQAQRBGB-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)CCCC(C)C)C1=O ZINC000337215896 135006419 /nfs/dbraw/zinc/00/64/19/135006419.db2.gz YTVIELZIDSNELO-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337436958 135017406 /nfs/dbraw/zinc/01/74/06/135017406.db2.gz XACMYRKRJOYLAU-ZJUUUORDSA-N 1 0 244.285 2.430 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337471468 135017906 /nfs/dbraw/zinc/01/79/06/135017906.db2.gz WEMFPDKHVWIDHW-AAEUAGOBSA-N 1 0 225.332 2.084 20 30 BEEDRO CC[C@H](C)N(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248760160 135021792 /nfs/dbraw/zinc/02/17/92/135021792.db2.gz GMCGZXAMTSWNKG-IHRRRGAJSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248839071 135022910 /nfs/dbraw/zinc/02/29/10/135022910.db2.gz NMKXFQJXXWCGPX-FRRDWIJNSA-N 1 0 241.375 2.105 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CN1C1CC1 ZINC000248870537 135023629 /nfs/dbraw/zinc/02/36/29/135023629.db2.gz QNGSKWVUNKUJDI-SYQHCUMBSA-N 1 0 247.386 2.284 20 30 BEEDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000248990451 135029966 /nfs/dbraw/zinc/02/99/66/135029966.db2.gz FPZHISSKVMTFDG-JJLQDPRZSA-N 1 0 244.338 2.292 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)cn1 ZINC000338291734 135031266 /nfs/dbraw/zinc/03/12/66/135031266.db2.gz QASFESVGQVCHPM-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=C(C)C[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000338286108 135031846 /nfs/dbraw/zinc/03/18/46/135031846.db2.gz AHLMGYIHGAUSNA-ZDUSSCGKSA-N 1 0 227.348 2.428 20 30 BEEDRO Cc1nn(C)c(C)c1CN(C[C@@H](C)C#N)C1CC1 ZINC000338353942 135034803 /nfs/dbraw/zinc/03/48/03/135034803.db2.gz QQPPTDMUYPIANE-JTQLQIEISA-N 1 0 246.358 2.161 20 30 BEEDRO C=CC1CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000338546709 135038528 /nfs/dbraw/zinc/03/85/28/135038528.db2.gz IKOXOLBLKOYKGB-UHFFFAOYSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000338568025 135041041 /nfs/dbraw/zinc/04/10/41/135041041.db2.gz LWMMVJXQXKPNJZ-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)C1CCOCC1 ZINC000235191913 135045652 /nfs/dbraw/zinc/04/56/52/135045652.db2.gz CCJIMCNOYIWWAI-LLVKDONJSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000338895883 135046812 /nfs/dbraw/zinc/04/68/12/135046812.db2.gz UJGOAMLEFNLETK-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000338911674 135047250 /nfs/dbraw/zinc/04/72/50/135047250.db2.gz HYNLWVCMXOMPTD-KFWWJZLASA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000339005363 135051190 /nfs/dbraw/zinc/05/11/90/135051190.db2.gz NKJIBACVWJHHNN-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000339027357 135053483 /nfs/dbraw/zinc/05/34/83/135053483.db2.gz YNGJPUNZWQOCIL-CYBMUJFWSA-N 1 0 220.316 2.354 20 30 BEEDRO C[N@H+](CCc1ccccn1)[C@H]1CC[C@H](C#N)C1 ZINC000339054982 135053774 /nfs/dbraw/zinc/05/37/74/135053774.db2.gz YLLIXPHYVUUPKS-JSGCOSHPSA-N 1 0 229.327 2.248 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000339050450 135054550 /nfs/dbraw/zinc/05/45/50/135054550.db2.gz OLGGWHIIHOHNDI-MQYQWHSLSA-N 1 0 234.343 2.037 20 30 BEEDRO C[C@@H]1CC[N@H+](CCOCCC#N)C[C@@H](C)C1 ZINC000339050724 135054576 /nfs/dbraw/zinc/05/45/76/135054576.db2.gz LLZWKSIQUDVKIB-OLZOCXBDSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000339062858 135055631 /nfs/dbraw/zinc/05/56/31/135055631.db2.gz NIQCBEYKRWCJLQ-HNNXBMFYSA-N 1 0 249.329 2.380 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C3CC3)C2)C1 ZINC000339060443 135056254 /nfs/dbraw/zinc/05/62/54/135056254.db2.gz XCEUCMNYPIWMFP-KGYLQXTDSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000339074232 135056696 /nfs/dbraw/zinc/05/66/96/135056696.db2.gz ALSPZARXUYDFET-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccncc1CC ZINC000339080623 135057038 /nfs/dbraw/zinc/05/70/38/135057038.db2.gz FCKFPNHEGJLVIL-GFCCVEGCSA-N 1 0 234.343 2.497 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2CC=CC2)CC1 ZINC000076994640 135057240 /nfs/dbraw/zinc/05/72/40/135057240.db2.gz KLJMVSLVISLSGW-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@@H]1C[N@H+](CCOCCC#N)[C@@H]2CCCC[C@H]21 ZINC000339081503 135057329 /nfs/dbraw/zinc/05/73/29/135057329.db2.gz IQKXOQGNSBWPEH-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000339077971 135057581 /nfs/dbraw/zinc/05/75/81/135057581.db2.gz BPWXNTIJFJYPCR-AVGNSLFASA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@H]1CCCC[N@H+](CCOCCC#N)C1 ZINC000339099671 135059134 /nfs/dbraw/zinc/05/91/34/135059134.db2.gz YAQACHBPKWYTFA-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@H]1CC[C@H]([N@H+](C)CCOCCC#N)C1 ZINC000339125223 135059212 /nfs/dbraw/zinc/05/92/12/135059212.db2.gz NNNDMURQUZJPST-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339100214 135059786 /nfs/dbraw/zinc/05/97/86/135059786.db2.gz WGIVCUIACLYCAK-RDBSUJKOSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339138189 135061257 /nfs/dbraw/zinc/06/12/57/135061257.db2.gz UWMBJGXTYRDNJQ-SDDRHHMPSA-N 1 0 224.373 2.364 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(F)(C#N)CC2)C1 ZINC000339184309 135064536 /nfs/dbraw/zinc/06/45/36/135064536.db2.gz FUXJKQZOIUHDCH-MNOVXSKESA-N 1 0 221.279 2.006 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H]1CC[C@@H](C#N)C1 ZINC000339192684 135065569 /nfs/dbraw/zinc/06/55/69/135065569.db2.gz JCYGUASHUGESHH-TUVASFSCSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000339196076 135066136 /nfs/dbraw/zinc/06/61/36/135066136.db2.gz SBWOKNWLBLJCEF-LLVKDONJSA-N 1 0 245.326 2.416 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H]1C ZINC000339563917 135076055 /nfs/dbraw/zinc/07/60/55/135076055.db2.gz MYABPAUMMWBSGS-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339704852 135077829 /nfs/dbraw/zinc/07/78/29/135077829.db2.gz JJLPPYRAUCVMDO-AWEZNQCLSA-N 1 0 223.360 2.130 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000366467538 135077975 /nfs/dbraw/zinc/07/79/75/135077975.db2.gz AWUXIHINQOOFMB-KBPBESRZSA-N 1 0 249.358 2.321 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339681242 135078132 /nfs/dbraw/zinc/07/81/32/135078132.db2.gz GFJFOWHOIBLOCN-KGLIPLIRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[N@H+](CCn1cncn1)Cc1cccs1 ZINC000339727220 135078487 /nfs/dbraw/zinc/07/84/87/135078487.db2.gz IZHCASYOMJYVQR-UHFFFAOYSA-N 1 0 248.355 2.028 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]CCCSCC#N ZINC000308594217 135079173 /nfs/dbraw/zinc/07/91/73/135079173.db2.gz XMRKLMYHSOIMRQ-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO CC#CCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339822461 135083225 /nfs/dbraw/zinc/08/32/25/135083225.db2.gz XWWCNSYRBREYAR-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCN(C2CC2)C1 ZINC000353335007 135093428 /nfs/dbraw/zinc/09/34/28/135093428.db2.gz VHPJQSQJNSMEEJ-CQSZACIVSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccc(C#N)cc1 ZINC000252756687 135107293 /nfs/dbraw/zinc/10/72/93/135107293.db2.gz JWOMPZVMNCMQDH-SDDRHHMPSA-N 1 0 232.327 2.368 20 30 BEEDRO Cc1ccc(C[NH+]=C(N(C)C)N(C)C)c(C)c1 ZINC000261971573 135113166 /nfs/dbraw/zinc/11/31/66/135113166.db2.gz DLDPEQLHJQPPDJ-UHFFFAOYSA-N 1 0 233.359 2.283 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cc(C#N)cs2)CCCO1 ZINC000087234349 135114464 /nfs/dbraw/zinc/11/44/64/135114464.db2.gz NXEZASWUVQOUHL-LBPRGKRZSA-N 1 0 236.340 2.278 20 30 BEEDRO CC1(C)C[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262258297 135116977 /nfs/dbraw/zinc/11/69/77/135116977.db2.gz FVBOSIGYLLKYMW-JTQLQIEISA-N 1 0 239.269 2.490 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)[C@@H]1CCCC[C@H]1O ZINC000252931298 135117456 /nfs/dbraw/zinc/11/74/56/135117456.db2.gz UMDAIWKMPVOAQS-HUUCEWRRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H](C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000262375684 135117543 /nfs/dbraw/zinc/11/75/43/135117543.db2.gz XEWZZVMKHRYYGC-LBPRGKRZSA-N 1 0 233.359 2.269 20 30 BEEDRO [NH2+]=C(NCC1CCC1)Nc1cc(F)ccc1F ZINC000262281920 135117592 /nfs/dbraw/zinc/11/75/92/135117592.db2.gz LFQNPZDYKKIDHL-UHFFFAOYSA-N 1 0 239.269 2.492 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1c2ccccc2O[C@@H]1C ZINC000262292134 135118198 /nfs/dbraw/zinc/11/81/98/135118198.db2.gz NVXJLKXSMJQSKX-CWSCBRNRSA-N 1 0 247.342 2.211 20 30 BEEDRO C=CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262437914 135118720 /nfs/dbraw/zinc/11/87/20/135118720.db2.gz GVIMQVKJZKJIAZ-UHFFFAOYSA-N 1 0 229.327 2.478 20 30 BEEDRO C[NH+]=C(NC(C)C)N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000262426032 135119004 /nfs/dbraw/zinc/11/90/04/135119004.db2.gz RPYVFISHYXCCGX-UONOGXRCSA-N 1 0 245.370 2.191 20 30 BEEDRO C[C@H]1C[NH+]=C(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)N1 ZINC000262475941 135119121 /nfs/dbraw/zinc/11/91/21/135119121.db2.gz CCIULMATNWURNC-KPXOXKRLSA-N 1 0 249.745 2.133 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH+]1CCCCCC1 ZINC000078316149 135119457 /nfs/dbraw/zinc/11/94/57/135119457.db2.gz OGANXTWOVBIGDR-LBPRGKRZSA-N 1 0 205.305 2.306 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC(C)(C)Cc2ccccc2)N1 ZINC000262670927 135120176 /nfs/dbraw/zinc/12/01/76/135120176.db2.gz QVEXEUOFYQMRRE-LBPRGKRZSA-N 1 0 245.370 2.193 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253090054 135120253 /nfs/dbraw/zinc/12/02/53/135120253.db2.gz HPGGBWFOTQHJII-YNEHKIRRSA-N 1 0 209.333 2.188 20 30 BEEDRO Cc1ccc([C@H](C)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262636414 135120287 /nfs/dbraw/zinc/12/02/87/135120287.db2.gz GYRNZFIQSNIYTN-NEPJUHHUSA-N 1 0 231.343 2.036 20 30 BEEDRO C[C@@H](CNC1=[NH+]C[C@@H](C)N1)Sc1ccccc1 ZINC000262641963 135120371 /nfs/dbraw/zinc/12/03/71/135120371.db2.gz HXNYCPZWEAHZFA-MNOVXSKESA-N 1 0 249.383 2.105 20 30 BEEDRO C[C@@H](CNC1=[NH+]C[C@H](C)N1)Sc1ccccc1 ZINC000262641964 135120466 /nfs/dbraw/zinc/12/04/66/135120466.db2.gz HXNYCPZWEAHZFA-QWRGUYRKSA-N 1 0 249.383 2.105 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253095791 135120771 /nfs/dbraw/zinc/12/07/71/135120771.db2.gz PLVVXZTXVIYGCL-MCIONIFRSA-N 1 0 221.344 2.025 20 30 BEEDRO Cc1ccc(SCCNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262674145 135120906 /nfs/dbraw/zinc/12/09/06/135120906.db2.gz SKGLMZSDDPCSKB-NSHDSACASA-N 1 0 249.383 2.024 20 30 BEEDRO C[C@H]1C[NH+]=C(N[C@@H]2C[C@H]2c2cccc(Cl)c2)N1 ZINC000262680825 135121073 /nfs/dbraw/zinc/12/10/73/135121073.db2.gz WEERECPHOKEYFW-KPXOXKRLSA-N 1 0 249.745 2.133 20 30 BEEDRO [NH2+]=C(NCCF)Nc1cccc2c1CCCC2 ZINC000262791370 135122551 /nfs/dbraw/zinc/12/25/51/135122551.db2.gz KVFSHUZNJNPXTB-UHFFFAOYSA-N 1 0 235.306 2.262 20 30 BEEDRO C[NH+]=C(NCc1ccc(C)s1)NC1CCC1 ZINC000262813257 135122711 /nfs/dbraw/zinc/12/27/11/135122711.db2.gz VWSGXUBKXVWLCP-UHFFFAOYSA-N 1 0 237.372 2.274 20 30 BEEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000262849266 135123039 /nfs/dbraw/zinc/12/30/39/135123039.db2.gz WLXWKAVSSTUOHH-ZYHUDNBSSA-N 1 0 223.364 2.412 20 30 BEEDRO C[NH+]=C(N[C@H](C)c1ccccc1)N[C@H]1C[C@H]1C ZINC000262950415 135123571 /nfs/dbraw/zinc/12/35/71/135123571.db2.gz BRYJHZLHFDIKML-WZRBSPASSA-N 1 0 231.343 2.321 20 30 BEEDRO C[C@H]1CCN(c2ccc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000253190104 135123900 /nfs/dbraw/zinc/12/39/00/135123900.db2.gz KPYFIJDYDFDNNZ-CMPLNLGQSA-N 1 0 247.317 2.118 20 30 BEEDRO C[NH+]=C(NC[C@H]1C[C@H]1C)N1CCc2ccccc21 ZINC000263077305 135124250 /nfs/dbraw/zinc/12/42/50/135124250.db2.gz CRFPIQKHMFUXOG-DGCLKSJQSA-N 1 0 243.354 2.281 20 30 BEEDRO [NH2+]=C(NCC1CC1)Nc1ccc2c(c1)CCC2 ZINC000263250498 135125982 /nfs/dbraw/zinc/12/59/82/135125982.db2.gz OMUXJMMMFAOIMP-UHFFFAOYSA-N 1 0 229.327 2.312 20 30 BEEDRO CNC(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000263979475 135129679 /nfs/dbraw/zinc/12/96/79/135129679.db2.gz QRUOYMPDSPRXLH-UHFFFAOYSA-N 1 0 233.359 2.061 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCCOc1ccccc1 ZINC000264055025 135130257 /nfs/dbraw/zinc/13/02/57/135130257.db2.gz AIAYRVTUIJPBPC-LBPRGKRZSA-N 1 0 249.358 2.158 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(F)c(F)c1 ZINC000264054988 135130280 /nfs/dbraw/zinc/13/02/80/135130280.db2.gz AGDPPWXTFITTJK-QMMMGPOBSA-N 1 0 241.285 2.168 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCOc1ccccc1 ZINC000264055021 135130349 /nfs/dbraw/zinc/13/03/49/135130349.db2.gz AIAYRVTUIJPBPC-GFCCVEGCSA-N 1 0 249.358 2.158 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCOc1ccc(C)cc1 ZINC000264060811 135130966 /nfs/dbraw/zinc/13/09/66/135130966.db2.gz CTDLBDOAABHNBN-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C)cc1C ZINC000264065064 135131075 /nfs/dbraw/zinc/13/10/75/135131075.db2.gz AWFQEWSDYCVJNH-UHFFFAOYSA-N 1 0 231.343 2.284 20 30 BEEDRO CCCNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000264070822 135131322 /nfs/dbraw/zinc/13/13/22/135131322.db2.gz GAVCPTMPDSCCPM-UHFFFAOYSA-N 1 0 244.342 2.025 20 30 BEEDRO C=CCNC(=[NH2+])NCC[C@H](C)c1ccccc1 ZINC000264069259 135131325 /nfs/dbraw/zinc/13/13/25/135131325.db2.gz CSVCGVHXWNQSDN-LBPRGKRZSA-N 1 0 231.343 2.271 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000264074452 135131817 /nfs/dbraw/zinc/13/18/17/135131817.db2.gz FEKMPMJNEUOUJU-GHMZBOCLSA-N 1 0 209.337 2.046 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@@H]2CCOC2)cc1C ZINC000264087951 135132617 /nfs/dbraw/zinc/13/26/17/135132617.db2.gz KANFJPBBZFOUMV-LBPRGKRZSA-N 1 0 247.342 2.067 20 30 BEEDRO C[NH+]=C(NC[C@H](C)c1ccc(F)cc1)NC1CC1 ZINC000264107630 135133237 /nfs/dbraw/zinc/13/32/37/135133237.db2.gz ZUYKAJMJSDHRBY-JTQLQIEISA-N 1 0 249.333 2.257 20 30 BEEDRO CCOc1ccccc1CNC(=[NH2+])NCC(C)C ZINC000264107328 135133473 /nfs/dbraw/zinc/13/34/73/135133473.db2.gz OAUOZVBSULNIKZ-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NC(C)(C)C)ccc1F ZINC000264120149 135134160 /nfs/dbraw/zinc/13/41/60/135134160.db2.gz QYNJKHFFOYJRNF-UHFFFAOYSA-N 1 0 237.322 2.337 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(F)cc1 ZINC000264121062 135134405 /nfs/dbraw/zinc/13/44/05/135134405.db2.gz QZUQVCJOCRRUMK-VIFPVBQESA-N 1 0 223.295 2.029 20 30 BEEDRO C=CCNC(=[NH2+])NCCC1CCCCC1 ZINC000264122855 135134501 /nfs/dbraw/zinc/13/45/01/135134501.db2.gz VJOYMNPAGRGLHH-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO CCCCNC(=[NH2+])NCCCNc1ccccc1 ZINC000264136843 135135239 /nfs/dbraw/zinc/13/52/39/135135239.db2.gz ZZUNCTXWQRZPDJ-UHFFFAOYSA-N 1 0 248.374 2.193 20 30 BEEDRO COc1ccc(F)cc1C[NH2+]CCCC#N ZINC000258879690 135135531 /nfs/dbraw/zinc/13/55/31/135135531.db2.gz HWSQNUZEBURECJ-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO CNC(NCC(C)(C)c1ccc(C)cc1)=[NH+]C ZINC000264307138 135138151 /nfs/dbraw/zinc/13/81/51/135138151.db2.gz UAMOINGUUGARRR-UHFFFAOYSA-N 1 0 233.359 2.067 20 30 BEEDRO C[NH+]=C(NC[C@H](C)c1ccc(C)cc1)NC1CC1 ZINC000265682182 135145767 /nfs/dbraw/zinc/14/57/67/135145767.db2.gz CDWXEPCZKGFEDK-LBPRGKRZSA-N 1 0 245.370 2.426 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000259978720 135146080 /nfs/dbraw/zinc/14/60/80/135146080.db2.gz KKRNYCMZBLSNAS-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CCCC2)n1 ZINC000260041102 135146959 /nfs/dbraw/zinc/14/69/59/135146959.db2.gz LUQYURPIHPMYLG-UHFFFAOYSA-N 1 0 207.302 2.047 20 30 BEEDRO Cn1ccc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000260145043 135147396 /nfs/dbraw/zinc/14/73/96/135147396.db2.gz RYQJBQZVCDSBKJ-UHFFFAOYSA-N 1 0 217.316 2.151 20 30 BEEDRO N#CCCCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000266799070 135148652 /nfs/dbraw/zinc/14/86/52/135148652.db2.gz YQSXVHGOIVZCHR-UHFFFAOYSA-N 1 0 232.331 2.283 20 30 BEEDRO C[C@@H]1[C@H](Cc2ccccc2)CCN1CC#N ZINC000266906177 135150551 /nfs/dbraw/zinc/15/05/51/135150551.db2.gz BKDGTXDKQGBHDT-OCCSQVGLSA-N 1 0 214.312 2.463 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000267047462 135151190 /nfs/dbraw/zinc/15/11/90/135151190.db2.gz NHYSZVSOLQWDFA-UHFFFAOYSA-N 1 0 237.322 2.028 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1ccn(C)c1 ZINC000267363036 135153268 /nfs/dbraw/zinc/15/32/68/135153268.db2.gz WSZKVKCTPFOOGQ-UHFFFAOYSA-N 1 0 236.363 2.010 20 30 BEEDRO CCCNC(=[NH2+])NC1CC(C)(c2ccccc2)C1 ZINC000267379683 135153696 /nfs/dbraw/zinc/15/36/96/135153696.db2.gz ARTOBKQUDPYYAD-UHFFFAOYSA-N 1 0 245.370 2.421 20 30 BEEDRO C[C@@H](CNC(=[NH2+])NC1CC1)Sc1ccccc1 ZINC000267438484 135154003 /nfs/dbraw/zinc/15/40/03/135154003.db2.gz OLGAIVMVQKDLNE-JTQLQIEISA-N 1 0 249.383 2.234 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)Oc1ccc(C)cc1 ZINC000267460066 135155108 /nfs/dbraw/zinc/15/51/08/135155108.db2.gz UVPABFDSUXIEDE-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCOc1ccccc1CNC(=[NH2+])NCCC ZINC000267456725 135155141 /nfs/dbraw/zinc/15/51/41/135155141.db2.gz TYDYKFJKXMCDNR-UHFFFAOYSA-N 1 0 247.342 2.066 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000267446614 135155203 /nfs/dbraw/zinc/15/52/03/135155203.db2.gz QDJJXPYZNTWODM-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268214905 135158228 /nfs/dbraw/zinc/15/82/28/135158228.db2.gz BDYBUOYLBJKAHK-QWHCGFSZSA-N 1 0 248.326 2.471 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)CCOC ZINC000087608569 135159424 /nfs/dbraw/zinc/15/94/24/135159424.db2.gz DZNPVXHEAZKRFK-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO N#CCCC[N@@H+](CCCO)Cc1ccccc1 ZINC000268971098 135163607 /nfs/dbraw/zinc/16/36/07/135163607.db2.gz LVSNFNYXLGKDDO-UHFFFAOYSA-N 1 0 232.327 2.175 20 30 BEEDRO C[NH+]=C(NCCC1=CCCC1)NCc1ccco1 ZINC000269964345 135167908 /nfs/dbraw/zinc/16/79/08/135167908.db2.gz IQZBHSQXKUSZEN-UHFFFAOYSA-N 1 0 247.342 2.445 20 30 BEEDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000261536161 135171510 /nfs/dbraw/zinc/17/15/10/135171510.db2.gz QOYJRBJEEZVDAD-SFYZADRCSA-N 1 0 223.707 2.359 20 30 BEEDRO C[N@H+](CCCc1ccccc1)CCOCCC#N ZINC000293576314 135180969 /nfs/dbraw/zinc/18/09/69/135180969.db2.gz SWNSZIRLFJMNKH-UHFFFAOYSA-N 1 0 246.354 2.481 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000293838995 135183429 /nfs/dbraw/zinc/18/34/29/135183429.db2.gz QLCQEIBXSCPNCT-CQSZACIVSA-N 1 0 245.326 2.149 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000293838991 135183492 /nfs/dbraw/zinc/18/34/92/135183492.db2.gz QLCQEIBXSCPNCT-AWEZNQCLSA-N 1 0 245.326 2.149 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296575469 135191865 /nfs/dbraw/zinc/19/18/65/135191865.db2.gz TZCIZIIETFYTFB-DRZSPHRISA-N 1 0 246.358 2.462 20 30 BEEDRO Cc1nc(N[C@@H]2CCCC[C@@H]2C[NH3+])ccc1C#N ZINC000261555665 135194879 /nfs/dbraw/zinc/19/48/79/135194879.db2.gz BPQKXXDHQWJRCX-CHWSQXEVSA-N 1 0 244.342 2.191 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261555855 135195910 /nfs/dbraw/zinc/19/59/10/135195910.db2.gz QCZCKIQLQQKWAH-YPMHNXCESA-N 1 0 238.375 2.365 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000298392033 135198924 /nfs/dbraw/zinc/19/89/24/135198924.db2.gz OGXRSUWKVKSKIB-HIFRSBDPSA-N 1 0 246.354 2.214 20 30 BEEDRO C#CC[C@H]([NH2+]CCCCO)c1ccccc1 ZINC000298945913 135200706 /nfs/dbraw/zinc/20/07/06/135200706.db2.gz OKPFYTCQVPBQIR-AWEZNQCLSA-N 1 0 217.312 2.113 20 30 BEEDRO Cc1nc(NCC[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000261561299 135202892 /nfs/dbraw/zinc/20/28/92/135202892.db2.gz FUGNTASVHHZZMQ-GFCCVEGCSA-N 1 0 244.342 2.063 20 30 BEEDRO CC(C)c1ccc(CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000261565800 135207666 /nfs/dbraw/zinc/20/76/66/135207666.db2.gz YNPXRWSNBKEBBR-LLVKDONJSA-N 1 0 231.343 2.247 20 30 BEEDRO C=CCSCC[NH2+]Cc1cccnc1 ZINC000163895655 135208017 /nfs/dbraw/zinc/20/80/17/135208017.db2.gz WYQMYBHFMPRALC-UHFFFAOYSA-N 1 0 208.330 2.090 20 30 BEEDRO C[C@H]1CCN(c2cccc(F)c2C#N)C[C@@H]1C[NH3+] ZINC000163946303 135210960 /nfs/dbraw/zinc/21/09/60/135210960.db2.gz FZUIWLYSPACPKK-QWRGUYRKSA-N 1 0 247.317 2.118 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C)o1 ZINC000120886883 135219482 /nfs/dbraw/zinc/21/94/82/135219482.db2.gz CMCHWRKAXGFJEQ-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccco1 ZINC000121193254 135222022 /nfs/dbraw/zinc/22/20/22/135222022.db2.gz JGFLKMWDMPMIPP-NSHDSACASA-N 1 0 209.289 2.039 20 30 BEEDRO C=CCC[NH+]1CCN(c2cccs2)CC1 ZINC000121249117 135222068 /nfs/dbraw/zinc/22/20/68/135222068.db2.gz ULNSKQXRCKMYHQ-UHFFFAOYSA-N 1 0 222.357 2.446 20 30 BEEDRO C#CC[N@H+]1CC[C@H](Cc2ccc(F)cc2)C1 ZINC000121289035 135222875 /nfs/dbraw/zinc/22/28/75/135222875.db2.gz BPMUACBUMZBJRG-CYBMUJFWSA-N 1 0 217.287 2.323 20 30 BEEDRO C=CC[N@@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000121192424 135223797 /nfs/dbraw/zinc/22/37/97/135223797.db2.gz QZQKFOLSPGLAFO-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000121570182 135224177 /nfs/dbraw/zinc/22/41/77/135224177.db2.gz ONZDGUYZYWCHLG-LBPRGKRZSA-N 1 0 225.719 2.491 20 30 BEEDRO C=CC[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000121435483 135224565 /nfs/dbraw/zinc/22/45/65/135224565.db2.gz NRLGSTAUEQODDO-UHFFFAOYSA-N 1 0 236.271 2.091 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000121616446 135224612 /nfs/dbraw/zinc/22/46/12/135224612.db2.gz UHWATJRFGHIBRT-UHFFFAOYSA-N 1 0 204.248 2.315 20 30 BEEDRO Cc1nc(N[C@H](C[NH3+])C2CCCC2)ccc1C#N ZINC000261586525 135227506 /nfs/dbraw/zinc/22/75/06/135227506.db2.gz UKOSVRGMEXTQAB-CYBMUJFWSA-N 1 0 244.342 2.191 20 30 BEEDRO Cc1nc(NCC(C)(C)[NH3+])c(Cl)cc1C#N ZINC000261588871 135229184 /nfs/dbraw/zinc/22/91/84/135229184.db2.gz SRXRUXIDTAXHNB-UHFFFAOYSA-N 1 0 238.722 2.064 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(F)ccc1F ZINC000341327341 135236201 /nfs/dbraw/zinc/23/62/01/135236201.db2.gz ZNODVOJGULDNEV-SNVBAGLBSA-N 1 0 241.281 2.239 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000341361148 135236749 /nfs/dbraw/zinc/23/67/49/135236749.db2.gz HJECKHXRJLTDNA-MGPQQGTHSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH+]1CCCC1 ZINC000341376850 135237294 /nfs/dbraw/zinc/23/72/94/135237294.db2.gz QWQNEDZUIWOKGX-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000341385039 135237636 /nfs/dbraw/zinc/23/76/36/135237636.db2.gz RZZJTHHGBGZJQR-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000341669311 135241300 /nfs/dbraw/zinc/24/13/00/135241300.db2.gz QLZDUXYPMJNYGO-UHFFFAOYSA-N 1 0 229.283 2.030 20 30 BEEDRO CC(C)C[C@@H]([NH3+])c1noc(C2(C#N)CCC2)n1 ZINC000342025487 135246351 /nfs/dbraw/zinc/24/63/51/135246351.db2.gz NGESBOCEFVYIPN-SECBINFHSA-N 1 0 234.303 2.061 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000342052704 135247004 /nfs/dbraw/zinc/24/70/04/135247004.db2.gz UZYRIKRKZYEXMP-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO [NH2+]=C(NCC12CCC(CC1)C2)Nc1ccccn1 ZINC000261722992 135248195 /nfs/dbraw/zinc/24/81/95/135248195.db2.gz IPLNWKOFQUBMNP-UHFFFAOYSA-N 1 0 244.342 2.389 20 30 BEEDRO CC[C@]1(C)CCN(C(NC[C@@H]2C[C@H]2C)=[NH+]C)C1 ZINC000261725274 135248400 /nfs/dbraw/zinc/24/84/00/135248400.db2.gz IWMKJDZSOPEAEO-MBNYWOFBSA-N 1 0 237.391 2.340 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000342086978 135249540 /nfs/dbraw/zinc/24/95/40/135249540.db2.gz IEAQFMYSPKQZCR-OCCSQVGLSA-N 1 0 247.338 2.182 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)c(C)c1OC ZINC000342184341 135250256 /nfs/dbraw/zinc/25/02/56/135250256.db2.gz JNYQHGFYEVBSHT-UHFFFAOYSA-N 1 0 248.326 2.406 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261760217 135250501 /nfs/dbraw/zinc/25/05/01/135250501.db2.gz MURVFFHKRQUUJH-UHFFFAOYSA-N 1 0 221.348 2.047 20 30 BEEDRO CC[C@]1(C)CCN(C(NCc2ccco2)=[NH+]C)C1 ZINC000261789247 135253547 /nfs/dbraw/zinc/25/35/47/135253547.db2.gz QFRKQWNICNQDOX-CQSZACIVSA-N 1 0 249.358 2.477 20 30 BEEDRO CC[NH+]=C(NC1CC1)N1CC[C@@](C)(CC)C1 ZINC000261863294 135258418 /nfs/dbraw/zinc/25/84/18/135258418.db2.gz ZQBCNONLSXGSTQ-CYBMUJFWSA-N 1 0 223.364 2.236 20 30 BEEDRO COC[C@@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000342310968 135259202 /nfs/dbraw/zinc/25/92/02/135259202.db2.gz HSFBKIUFISTSDE-CYBMUJFWSA-N 1 0 236.290 2.407 20 30 BEEDRO C=CCN(Cc1cccs1)C(=O)C[C@H](C)[NH3+] ZINC000261905499 135261762 /nfs/dbraw/zinc/26/17/62/135261762.db2.gz VRPKDTPNMJGLCL-JTQLQIEISA-N 1 0 238.356 2.000 20 30 BEEDRO CCc1ccc(CNC(=[NH2+])N(CC)CC)s1 ZINC000261972314 135267660 /nfs/dbraw/zinc/26/76/60/135267660.db2.gz DRNXHIKAMBWLQI-UHFFFAOYSA-N 1 0 239.388 2.467 20 30 BEEDRO C[C@H]1CCC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261986379 135269832 /nfs/dbraw/zinc/26/98/32/135269832.db2.gz KDJMIQAZWKGDGB-NWDGAFQWSA-N 1 0 225.380 2.292 20 30 BEEDRO CN(C)C(=[NH+]Cc1ccc(Cl)s1)N(C)C ZINC000262005540 135271734 /nfs/dbraw/zinc/27/17/34/135271734.db2.gz RJUQREOIFSFINA-UHFFFAOYSA-N 1 0 245.779 2.381 20 30 BEEDRO C=CCOc1cccc(CN2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000262032260 135274916 /nfs/dbraw/zinc/27/49/16/135274916.db2.gz OEBXBNBZNMHLJT-WFASDCNBSA-N 1 0 246.354 2.030 20 30 BEEDRO C[C@H]1CC[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262238320 135287099 /nfs/dbraw/zinc/28/70/99/135287099.db2.gz AZQYUOLMWMKCBO-XVKPBYJWSA-N 1 0 239.269 2.490 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000342557127 135289138 /nfs/dbraw/zinc/28/91/38/135289138.db2.gz NBTQNKCKUULFRA-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NCC1CCCCC1 ZINC000262212767 135290764 /nfs/dbraw/zinc/29/07/64/135290764.db2.gz FBSSRNXPXKDPRG-UHFFFAOYSA-N 1 0 223.364 2.271 20 30 BEEDRO CCCC1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000262450623 135300271 /nfs/dbraw/zinc/30/02/71/135300271.db2.gz VYOONPUEUGZWSK-UHFFFAOYSA-N 1 0 209.337 2.024 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)C2CCCC2)N1 ZINC000262479600 135301721 /nfs/dbraw/zinc/30/17/21/135301721.db2.gz CTBOOQGVJKRQFB-SNVBAGLBSA-N 1 0 223.364 2.140 20 30 BEEDRO CN1CC[NH+]=C1NCc1ccc(C2CCC2)cc1 ZINC000262476969 135301886 /nfs/dbraw/zinc/30/18/86/135301886.db2.gz CIDCBYNILREKBA-UHFFFAOYSA-N 1 0 243.354 2.345 20 30 BEEDRO Cc1cccnc1CNC(=[NH2+])N1CCCCCC1 ZINC000262556198 135305320 /nfs/dbraw/zinc/30/53/20/135305320.db2.gz UZOLWVXZOQZAAX-UHFFFAOYSA-N 1 0 246.358 2.081 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000262611330 135308942 /nfs/dbraw/zinc/30/89/42/135308942.db2.gz BBXWCIZXMYHQOX-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2ccc3ccccc3c2)N1 ZINC000262630233 135309283 /nfs/dbraw/zinc/30/92/83/135309283.db2.gz FNAUMSBGYXNQTD-LLVKDONJSA-N 1 0 239.322 2.277 20 30 BEEDRO CN1CC[NH+]=C1NCc1csc2ccccc12 ZINC000262654827 135310757 /nfs/dbraw/zinc/31/07/57/135310757.db2.gz LGEMBUTYPVIETA-UHFFFAOYSA-N 1 0 245.351 2.292 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262652800 135311353 /nfs/dbraw/zinc/31/13/53/135311353.db2.gz JUAZMSDAQREKKP-NWDGAFQWSA-N 1 0 221.348 2.022 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCC2=CCCCCC2)N1 ZINC000262665255 135312104 /nfs/dbraw/zinc/31/21/04/135312104.db2.gz OIZMEGRNAYOJMA-NSHDSACASA-N 1 0 221.348 2.204 20 30 BEEDRO CC(C)CC1(CNC2=[NH+]CCN2C)CCC1 ZINC000262682248 135312673 /nfs/dbraw/zinc/31/26/73/135312673.db2.gz WSYUKWREOWUQIG-UHFFFAOYSA-N 1 0 223.364 2.094 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000342718194 135313459 /nfs/dbraw/zinc/31/34/59/135313459.db2.gz ICBXVZZMLATLCU-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@@H]2CCCCC(F)(F)C2)N1 ZINC000262690143 135314229 /nfs/dbraw/zinc/31/42/29/135314229.db2.gz FWJVUTSJMIMSRK-VHSXEESVSA-N 1 0 245.317 2.139 20 30 BEEDRO [NH2+]=C(NCC1CC(F)(F)C1)Nc1ccccc1 ZINC000262704066 135314462 /nfs/dbraw/zinc/31/44/62/135314462.db2.gz MCSGHCQRBNSXTQ-UHFFFAOYSA-N 1 0 239.269 2.459 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000262772924 135314696 /nfs/dbraw/zinc/31/46/96/135314696.db2.gz VCWARTAXMDYCQJ-RYUDHWBXSA-N 1 0 224.348 2.071 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000342732813 135316479 /nfs/dbraw/zinc/31/64/79/135316479.db2.gz DLZBHTDJLBZJTO-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cscc1CNC(=[NH2+])NCC1CCC1 ZINC000262813066 135319830 /nfs/dbraw/zinc/31/98/30/135319830.db2.gz UYHRFSOVYHDSCS-UHFFFAOYSA-N 1 0 237.372 2.261 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000342764928 135326603 /nfs/dbraw/zinc/32/66/03/135326603.db2.gz LRWPTEWTCKVDJE-UHFFFAOYSA-N 1 0 243.310 2.005 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@@H]1CCCC(F)(F)C1 ZINC000263025669 135327606 /nfs/dbraw/zinc/32/76/06/135327606.db2.gz ANUCYWNXQAHBQJ-SNVBAGLBSA-N 1 0 245.317 2.093 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH+]1CCC(CC#N)CC1 ZINC000334222618 135328320 /nfs/dbraw/zinc/32/83/20/135328320.db2.gz VSQHRDJUJWEIMV-UHFFFAOYSA-N 1 0 246.358 2.163 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)N1CCC1 ZINC000263046815 135328915 /nfs/dbraw/zinc/32/89/15/135328915.db2.gz DASFTBHGACEZKI-AULYBMBSSA-N 1 0 247.317 2.092 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@@H]1CCCC1(F)F ZINC000263057433 135329669 /nfs/dbraw/zinc/32/96/69/135329669.db2.gz FEFYLQVZZWIEBZ-JTQLQIEISA-N 1 0 245.317 2.126 20 30 BEEDRO Cc1oc2ccccc2c1CNC(=[NH2+])N1CCC1 ZINC000263062255 135330145 /nfs/dbraw/zinc/33/01/45/135330145.db2.gz FQFRZRPJCMRQET-UHFFFAOYSA-N 1 0 243.310 2.262 20 30 BEEDRO CS[C@@H](CNC1=[NH+]CCCN1C)C(C)(C)C ZINC000263090613 135331592 /nfs/dbraw/zinc/33/15/92/135331592.db2.gz IUXOSFWYOVQFND-JTQLQIEISA-N 1 0 243.420 2.045 20 30 BEEDRO [NH2+]=C(NCC[C@H]1CCc2ccccc21)N1CCC1 ZINC000263098842 135332319 /nfs/dbraw/zinc/33/23/19/135332319.db2.gz JTVLTAHPAVCPPZ-CYBMUJFWSA-N 1 0 243.354 2.127 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)o1 ZINC000334277834 135333561 /nfs/dbraw/zinc/33/35/61/135333561.db2.gz OTWNURKFEDAZHR-LLVKDONJSA-N 1 0 216.284 2.383 20 30 BEEDRO [NH2+]=C(NCc1ccc(C2CC2)cc1)N1CCC1 ZINC000263107516 135333596 /nfs/dbraw/zinc/33/35/96/135333596.db2.gz KTRWMLWTKPVWJG-UHFFFAOYSA-N 1 0 229.327 2.084 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)o1 ZINC000334277835 135333708 /nfs/dbraw/zinc/33/37/08/135333708.db2.gz OTWNURKFEDAZHR-NSHDSACASA-N 1 0 216.284 2.383 20 30 BEEDRO [NH2+]=C(NCc1cc(C2CC2)ccc1F)N1CCC1 ZINC000263115990 135333980 /nfs/dbraw/zinc/33/39/80/135333980.db2.gz LMHMEYJDTFFFHU-UHFFFAOYSA-N 1 0 247.317 2.224 20 30 BEEDRO [NH2+]=C(N[C@H]1CC12CC2)NC1CCCCCC1 ZINC000263115247 135334036 /nfs/dbraw/zinc/33/40/36/135334036.db2.gz ZNLNOIWZFKUEGY-NSHDSACASA-N 1 0 221.348 2.166 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2CCC2(C)C)C1 ZINC000263125032 135334509 /nfs/dbraw/zinc/33/45/09/135334509.db2.gz FEOJTISGSIPZAE-MNOVXSKESA-N 1 0 223.364 2.222 20 30 BEEDRO CSCc1ccc(CNC(=[NH2+])N2CCC2)cc1 ZINC000263130299 135334924 /nfs/dbraw/zinc/33/49/24/135334924.db2.gz MZUJWUNWYZQHRA-UHFFFAOYSA-N 1 0 249.383 2.070 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1NC(=[NH2+])N1CCC[C@H](C)C1 ZINC000263131784 135335159 /nfs/dbraw/zinc/33/51/59/135335159.db2.gz NFHTWARXTLJGLM-SDDRHHMPSA-N 1 0 223.364 2.078 20 30 BEEDRO CN(C(=[NH2+])NC[C@@H]1CCCCC1(F)F)C1CC1 ZINC000263156382 135336171 /nfs/dbraw/zinc/33/61/71/135336171.db2.gz PYYFXVKNRZVBPR-VIFPVBQESA-N 1 0 245.317 2.221 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263235619 135341868 /nfs/dbraw/zinc/34/18/68/135341868.db2.gz DKELYEYDLIFEOT-ZJUUUORDSA-N 1 0 209.337 2.022 20 30 BEEDRO CN(C)C(=[NH+]CCC1=CCCCC1)N(C)C ZINC000263252120 135342594 /nfs/dbraw/zinc/34/25/94/135342594.db2.gz PHIKQQIIBJLSIG-UHFFFAOYSA-N 1 0 223.364 2.356 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000079937551 135364837 /nfs/dbraw/zinc/36/48/37/135364837.db2.gz MTFZNPMVOSZKPT-TZMCWYRMSA-N 1 0 245.322 2.150 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cccc(CO)c1 ZINC000273184887 135366174 /nfs/dbraw/zinc/36/61/74/135366174.db2.gz FSWIAPXDKACAFF-NSHDSACASA-N 1 0 218.300 2.133 20 30 BEEDRO Cc1nnc([C@H](C)[NH2+]CCCCC#N)s1 ZINC000273608140 135366688 /nfs/dbraw/zinc/36/66/88/135366688.db2.gz MYUMIGONRYWMNC-QMMMGPOBSA-N 1 0 224.333 2.191 20 30 BEEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cn[nH]c1 ZINC000275260415 135367595 /nfs/dbraw/zinc/36/75/95/135367595.db2.gz ZWTCJTJVVWTNNU-SNVBAGLBSA-N 1 0 220.320 2.390 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000281239796 135369711 /nfs/dbraw/zinc/36/97/11/135369711.db2.gz LSHUWWFCWOWLOQ-SNVBAGLBSA-N 1 0 236.315 2.246 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000281394831 135369815 /nfs/dbraw/zinc/36/98/15/135369815.db2.gz PGXOZCGSGZFEGF-AWEZNQCLSA-N 1 0 246.354 2.491 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccnn1CC ZINC000281337450 135370219 /nfs/dbraw/zinc/37/02/19/135370219.db2.gz LSUZODUNFRBOPF-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(CO)o1 ZINC000281452035 135370223 /nfs/dbraw/zinc/37/02/23/135370223.db2.gz SWJJBRRYZGXWJS-SNVBAGLBSA-N 1 0 209.289 2.216 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)nn1C ZINC000282269564 135371148 /nfs/dbraw/zinc/37/11/48/135371148.db2.gz RGHNPRJXWUGSHU-LLVKDONJSA-N 1 0 220.320 2.073 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)nn1C ZINC000284119985 135372086 /nfs/dbraw/zinc/37/20/86/135372086.db2.gz CNIHBEKTSLYXON-PWSUYJOCSA-N 1 0 221.348 2.419 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000290143141 135374308 /nfs/dbraw/zinc/37/43/08/135374308.db2.gz KMZKDXDHMNSHAL-LBPRGKRZSA-N 1 0 216.284 2.289 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccn1)C(C)(C)C ZINC000290217114 135374540 /nfs/dbraw/zinc/37/45/40/135374540.db2.gz RECFSUINOCYMEI-LBPRGKRZSA-N 1 0 202.301 2.219 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)n[nH]c1C)C(C)(C)C ZINC000290192190 135375061 /nfs/dbraw/zinc/37/50/61/135375061.db2.gz OTZLAMRJZJATHN-LBPRGKRZSA-N 1 0 219.332 2.164 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(O)c1Cl ZINC000293165558 135376759 /nfs/dbraw/zinc/37/67/59/135376759.db2.gz FZSOLPKRZPQDOK-SNVBAGLBSA-N 1 0 241.718 2.072 20 30 BEEDRO C[N@H+](CCOCCC#N)Cc1cccs1 ZINC000293568398 135376942 /nfs/dbraw/zinc/37/69/42/135376942.db2.gz SOUGGKQGTNCELW-UHFFFAOYSA-N 1 0 224.329 2.110 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(Br)n1 ZINC000293141834 135377006 /nfs/dbraw/zinc/37/70/06/135377006.db2.gz LWHYKWRCRVCODT-UHFFFAOYSA-N 1 0 241.132 2.462 20 30 BEEDRO COc1ccccc1[C@H](C)[NH2+]CCOCCC#N ZINC000293768581 135377309 /nfs/dbraw/zinc/37/73/09/135377309.db2.gz KSMLAWWAIROSNX-LBPRGKRZSA-N 1 0 248.326 2.276 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1csc(C)c1 ZINC000297109719 135380175 /nfs/dbraw/zinc/38/01/75/135380175.db2.gz YAOIHSZIYVFOKP-JTQLQIEISA-N 1 0 238.356 2.009 20 30 BEEDRO COc1ccc(C[NH+]2CC(C)C2)cc1C#N ZINC000334390726 135385248 /nfs/dbraw/zinc/38/52/48/135385248.db2.gz UBVIYSUBAHHCJB-UHFFFAOYSA-N 1 0 216.284 2.019 20 30 BEEDRO C[N@@H+]1CCN(CCCC#N)C2(CCCCC2)C1 ZINC000081613166 135387558 /nfs/dbraw/zinc/38/75/58/135387558.db2.gz RXBDNIPHSIDFHH-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076969712 135391549 /nfs/dbraw/zinc/39/15/49/135391549.db2.gz NHADVVLTAVYANE-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CO1 ZINC000334927100 135406741 /nfs/dbraw/zinc/40/67/41/135406741.db2.gz SYOCXOGCLOOPHY-GFCCVEGCSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000164894041 135448312 /nfs/dbraw/zinc/44/83/12/135448312.db2.gz ATIMWADBGSAVNN-UONOGXRCSA-N 1 0 241.375 2.372 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]CC#Cc1ccccc1 ZINC000352881892 135505756 /nfs/dbraw/zinc/50/57/56/135505756.db2.gz KUOHLEMITLTHBW-HNNXBMFYSA-N 1 0 231.339 2.035 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000281389151 135508852 /nfs/dbraw/zinc/50/88/52/135508852.db2.gz ZJFHXAQYNRBSTI-KGLIPLIRSA-N 1 0 246.354 2.027 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])c(F)c1 ZINC000089105935 135529522 /nfs/dbraw/zinc/52/95/22/135529522.db2.gz PRMMDYLVXYRJCQ-CMPLNLGQSA-N 1 0 233.290 2.237 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000192015650 135555698 /nfs/dbraw/zinc/55/56/98/135555698.db2.gz STBWMPQRTWDMOA-QWRGUYRKSA-N 1 0 248.326 2.173 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(C)c1C ZINC000184283208 135622263 /nfs/dbraw/zinc/62/22/63/135622263.db2.gz OHJQKZUDIMRTAM-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1 ZINC000184283745 135622705 /nfs/dbraw/zinc/62/27/05/135622705.db2.gz KQTCFXRSEVWPKO-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000293940680 135671611 /nfs/dbraw/zinc/67/16/11/135671611.db2.gz IALXZVDBDBMFRC-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C[C@@H]1[C@H]([NH2+]Cc2cccc(C#N)c2)CCCN1C ZINC000344340849 135765241 /nfs/dbraw/zinc/76/52/41/135765241.db2.gz ZTEMFQUOFNMVOM-IUODEOHRSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CCOc1cccc(C[NH2+]CC2(O)CCC2)c1 ZINC000344365561 135766886 /nfs/dbraw/zinc/76/68/86/135766886.db2.gz ISSKBXCORDZSSF-UHFFFAOYSA-N 1 0 247.338 2.256 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCOC3(CCC3)C2)CCC1 ZINC000335160785 135923705 /nfs/dbraw/zinc/92/37/05/135923705.db2.gz OJSDNHQCJOSKHP-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO C[NH+](C)[C@@H]1CCc2cc(NC(=O)CC#N)ccc21 ZINC000335235579 135969180 /nfs/dbraw/zinc/96/91/80/135969180.db2.gz SPXFGUCUTKYHDW-CYBMUJFWSA-N 1 0 243.310 2.088 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC000335284397 136002027 /nfs/dbraw/zinc/00/20/27/136002027.db2.gz AOSSOICMRCDTQQ-MFKMUULPSA-N 1 0 240.310 2.345 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)C1 ZINC000335286012 136002505 /nfs/dbraw/zinc/00/25/05/136002505.db2.gz LOARJKQXABZQOH-JOYOIKCWSA-N 1 0 234.274 2.313 20 30 BEEDRO CCc1cc(CCCN(C)[C@@H](C)CC#N)on1 ZINC000347744755 136010910 /nfs/dbraw/zinc/01/09/10/136010910.db2.gz HVOUFLNBSZTWOS-NSHDSACASA-N 1 0 235.331 2.404 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000347971862 136022691 /nfs/dbraw/zinc/02/26/91/136022691.db2.gz ZNCSBJLIFDQLMC-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOCCC[N@H+]1CCSC[C@@H]1C ZINC000348061614 136024689 /nfs/dbraw/zinc/02/46/89/136024689.db2.gz UEQYRAIMZXICQX-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000348047857 136030174 /nfs/dbraw/zinc/03/01/74/136030174.db2.gz LQWHLYDPOHUJJG-UONOGXRCSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000348051813 136031323 /nfs/dbraw/zinc/03/13/23/136031323.db2.gz RDNPBIHJYFGMEW-AWEZNQCLSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CCOCCC[N@@H+]1CCS[C@@H](CC)C1 ZINC000348056896 136032023 /nfs/dbraw/zinc/03/20/23/136032023.db2.gz OOUUYZXAXHLAFT-LBPRGKRZSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CCOCCC[N@H+]1CCOC[C@H]1CC(C)C ZINC000348054932 136032059 /nfs/dbraw/zinc/03/20/59/136032059.db2.gz ZFRVRSXOQCLXHP-CQSZACIVSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCCC[N@H+]1CCSCC[C@H]1C ZINC000348186459 136037679 /nfs/dbraw/zinc/03/76/79/136037679.db2.gz RRGQYACPJZDCOX-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348114105 136037773 /nfs/dbraw/zinc/03/77/73/136037773.db2.gz GOADMOZDHBDKPT-BDAKNGLRSA-N 1 0 205.248 2.312 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)cc1 ZINC000348215367 136046125 /nfs/dbraw/zinc/04/61/25/136046125.db2.gz BQOBZTOXCLAMCM-WDEREUQCSA-N 1 0 222.238 2.301 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cnccn1 ZINC000348225445 136048305 /nfs/dbraw/zinc/04/83/05/136048305.db2.gz ZXVRXKVDCBLGPI-LLVKDONJSA-N 1 0 232.331 2.457 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000348193119 136050097 /nfs/dbraw/zinc/05/00/97/136050097.db2.gz KQRLPWIIVYCGSK-MELADBBJSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000348195365 136051137 /nfs/dbraw/zinc/05/11/37/136051137.db2.gz WCNTWMXDNHKIGU-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H]2C(F)F)c1 ZINC000348233064 136060774 /nfs/dbraw/zinc/06/07/74/136060774.db2.gz UQBCTRBXRSZBNO-BDAKNGLRSA-N 1 0 228.267 2.363 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)s1 ZINC000348235789 136061615 /nfs/dbraw/zinc/06/16/15/136061615.db2.gz XIVGPRVCMJOLQI-DTWKUNHWSA-N 1 0 228.267 2.363 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000348403670 136076922 /nfs/dbraw/zinc/07/69/22/136076922.db2.gz WQVAZWITYUJYON-MWLCHTKSSA-N 1 0 234.274 2.137 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCOC1 ZINC000335389568 136089929 /nfs/dbraw/zinc/08/99/29/136089929.db2.gz SEFGHLPLEUVTRR-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]12CCOC2 ZINC001172499331 974851819 /nfs/dbraw/zinc/85/18/19/974851819.db2.gz WGYQVLIOHBFHJR-CHWSQXEVSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)C1([NH+](C)C)CCCC1 ZINC001646500840 1172740829 /nfs/dbraw/zinc/74/08/29/1172740829.db2.gz RXPQZWSEBFWUTK-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000305763428 397799613 /nfs/dbraw/zinc/79/96/13/397799613.db2.gz FZZFATPZWIMOBR-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445811014 397834852 /nfs/dbraw/zinc/83/48/52/397834852.db2.gz NNDRAQSMJABOMC-HUUCEWRRSA-N 1 0 246.354 2.449 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](OCCOCC)C1 ZINC000441664877 397933283 /nfs/dbraw/zinc/93/32/83/397933283.db2.gz GUOQDHPWDKHRFI-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO N#CCCC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449231660 397952209 /nfs/dbraw/zinc/95/22/09/397952209.db2.gz FFWXPXRRVJHMSI-UHFFFAOYSA-N 1 0 232.331 2.392 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000650182345 397960078 /nfs/dbraw/zinc/96/00/78/397960078.db2.gz AHSGYHJXYRGUDD-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO CCO[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000591015036 397920066 /nfs/dbraw/zinc/92/00/66/397920066.db2.gz UOMDMUJXENJECR-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCc2ccccc2CC1 ZINC000650101970 397923555 /nfs/dbraw/zinc/92/35/55/397923555.db2.gz CVQPCXJVZBSURH-INIZCTEOSA-N 1 0 245.366 2.414 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000650216896 397989910 /nfs/dbraw/zinc/98/99/10/397989910.db2.gz CQGJTCCEATWGET-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000649651396 398021100 /nfs/dbraw/zinc/02/11/00/398021100.db2.gz JTLSNGIEBJLWNZ-UHFFFAOYSA-N 1 0 244.338 2.293 20 30 BEEDRO CCC#C[C@@H](C)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000649664775 398029614 /nfs/dbraw/zinc/02/96/14/398029614.db2.gz FDEYYWLRZAJBSS-UONOGXRCSA-N 1 0 234.387 2.204 20 30 BEEDRO CCC(C)(C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598594693 398031868 /nfs/dbraw/zinc/03/18/68/398031868.db2.gz COFYAGMZCFRMAW-NSHDSACASA-N 1 0 226.364 2.408 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594433 398032106 /nfs/dbraw/zinc/03/21/06/398032106.db2.gz HMGQJKHRMUZLON-FRRDWIJNSA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)C1([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598617233 398032886 /nfs/dbraw/zinc/03/28/86/398032886.db2.gz HEEOQBILTCBLBF-LLVKDONJSA-N 1 0 224.348 2.065 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000491623964 398049680 /nfs/dbraw/zinc/04/96/80/398049680.db2.gz KLBTTWKSBRIYMA-DZGCQCFKSA-N 1 0 231.339 2.198 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CCCO1 ZINC000035056231 397969891 /nfs/dbraw/zinc/96/98/91/397969891.db2.gz SNAHFXSNHJUNDD-QMTHXVAHSA-N 1 0 248.301 2.354 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271727179 397971460 /nfs/dbraw/zinc/97/14/60/397971460.db2.gz XTEHXIUZACKNGO-AWEZNQCLSA-N 1 0 232.327 2.394 20 30 BEEDRO Cn1ccc(C[NH2+]Cc2ccc(C#N)cc2F)c1 ZINC000343188896 397976561 /nfs/dbraw/zinc/97/65/61/397976561.db2.gz XNEJHXRBYOMHOD-UHFFFAOYSA-N 1 0 243.285 2.326 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000172732777 398042631 /nfs/dbraw/zinc/04/26/31/398042631.db2.gz RPVQIYCJTZFOHU-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000650204830 397984579 /nfs/dbraw/zinc/98/45/79/397984579.db2.gz RHOGUGGRPDIQTB-HBNTYKKESA-N 1 0 249.276 2.033 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cnn(CC)c1 ZINC000650210137 397987194 /nfs/dbraw/zinc/98/71/94/397987194.db2.gz CJLKVOQVDPAYGA-VXGBXAGGSA-N 1 0 219.332 2.356 20 30 BEEDRO CC#CCC[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000649718035 398059347 /nfs/dbraw/zinc/05/93/47/398059347.db2.gz QQOBLSSXUFMDBF-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2cscn2)C1 ZINC000185860506 398061107 /nfs/dbraw/zinc/06/11/07/398061107.db2.gz DLSGQLRETQRNKP-QWRGUYRKSA-N 1 0 235.356 2.358 20 30 BEEDRO CC#CCC[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000649718969 398061355 /nfs/dbraw/zinc/06/13/55/398061355.db2.gz JVLDPHDNEQSFJU-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO CCN(CCC#N)CCC[NH+]1CCCCC1 ZINC000161390472 398065394 /nfs/dbraw/zinc/06/53/94/398065394.db2.gz PFXWQUOGVZHBNE-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@](C)(COC)C1 ZINC000649765583 398093266 /nfs/dbraw/zinc/09/32/66/398093266.db2.gz DOJLMXXEBBDHBX-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cccs1 ZINC000610812993 398071591 /nfs/dbraw/zinc/07/15/91/398071591.db2.gz UFYPSEMNKJINLZ-LLVKDONJSA-N 1 0 249.383 2.387 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000602479927 398074487 /nfs/dbraw/zinc/07/44/87/398074487.db2.gz SIYOBGMDTSCMOY-MCIONIFRSA-N 1 0 236.359 2.285 20 30 BEEDRO CCC1(C)C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000291994866 398074879 /nfs/dbraw/zinc/07/48/79/398074879.db2.gz UUFBJDZOGXIHCG-AWEZNQCLSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1COC2(CCC2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602883191 398081927 /nfs/dbraw/zinc/08/19/27/398081927.db2.gz OGLRDVCYPTUDAT-GFCCVEGCSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CCC1(c2nc([C@H]3CCC[NH2+]3)no2)CCC1 ZINC000647145778 398087804 /nfs/dbraw/zinc/08/78/04/398087804.db2.gz DTPAFCLHDBQEGQ-SNVBAGLBSA-N 1 0 233.315 2.492 20 30 BEEDRO C=CCC1(c2nc([C@@H]3CCC[NH2+]3)no2)CCC1 ZINC000647145777 398087853 /nfs/dbraw/zinc/08/78/53/398087853.db2.gz DTPAFCLHDBQEGQ-JTQLQIEISA-N 1 0 233.315 2.492 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc(OC)s1 ZINC000389208362 398051100 /nfs/dbraw/zinc/05/11/00/398051100.db2.gz HNRJJKZDMRBCQU-QMMMGPOBSA-N 1 0 212.318 2.206 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCCOC)cc1 ZINC000491667575 398057756 /nfs/dbraw/zinc/05/77/56/398057756.db2.gz RPOPWOZUGSHIAZ-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C#N)c1 ZINC000311072864 398059021 /nfs/dbraw/zinc/05/90/21/398059021.db2.gz KLFHDGZFXTUYPU-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000650313302 398102089 /nfs/dbraw/zinc/10/20/89/398102089.db2.gz IGUBXWBVAUCIMW-XLWJZTARSA-N 1 0 235.371 2.291 20 30 BEEDRO CCN(CCC[NH+](C)C)c1ccc(C#N)c(C)n1 ZINC000291756196 398103252 /nfs/dbraw/zinc/10/32/52/398103252.db2.gz AQOAVIYSQZRLPA-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000649808755 398115043 /nfs/dbraw/zinc/11/50/43/398115043.db2.gz OSBOIPIVGSDFQU-LBPRGKRZSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H](C[NH2+]C(C)C)C1 ZINC000063137251 1172801342 /nfs/dbraw/zinc/80/13/42/1172801342.db2.gz ZXXKNGOMCCRAHM-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@@H](C)[C@@H](C)CC)CC1 ZINC001648149216 1172803293 /nfs/dbraw/zinc/80/32/93/1172803293.db2.gz YYPQAYABAPBPEK-STQMWFEESA-N 1 0 223.360 2.271 20 30 BEEDRO C[C@@H]1CN(CCCC#N)CC[N@@H+]1C1CCCC1 ZINC001648327592 1172824468 /nfs/dbraw/zinc/82/44/68/1172824468.db2.gz ISYYCSNMSBRWKN-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCCCC[N@H+]1CC(=O)NC[C@@H]1C(C)(C)C ZINC001648429251 1172831694 /nfs/dbraw/zinc/83/16/94/1172831694.db2.gz CMXMRDVJLLHKKU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCOCCOC ZINC001648526183 1172842863 /nfs/dbraw/zinc/84/28/63/1172842863.db2.gz OUDBPIRVAICMNA-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1CCOCCOC ZINC001648526184 1172842967 /nfs/dbraw/zinc/84/29/67/1172842967.db2.gz OUDBPIRVAICMNA-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](N(C)CC)C1 ZINC001648682942 1172863282 /nfs/dbraw/zinc/86/32/82/1172863282.db2.gz IDRLXRWYIXXDOK-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)C2(CO)CC2)cc1 ZINC000668801596 487563387 /nfs/dbraw/zinc/56/33/87/487563387.db2.gz IWJWCQOZCUQBLV-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000685611858 487564102 /nfs/dbraw/zinc/56/41/02/487564102.db2.gz LXLAVDGYTFKTNQ-UONOGXRCSA-N 1 0 231.343 2.240 20 30 BEEDRO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CCC)C1 ZINC001649457002 1172876778 /nfs/dbraw/zinc/87/67/78/1172876778.db2.gz QOZINVHPNAJSCD-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)CC(C)(F)F ZINC001649443903 1172877279 /nfs/dbraw/zinc/87/72/79/1172877279.db2.gz RKYUDXBJWHYIQL-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CC(C)C)C1 ZINC001649456379 1172877368 /nfs/dbraw/zinc/87/73/68/1172877368.db2.gz NYTWUALTHWAIDO-AWEZNQCLSA-N 1 0 238.375 2.047 20 30 BEEDRO COCC#CC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000680384540 487581950 /nfs/dbraw/zinc/58/19/50/487581950.db2.gz ICCKYZZZXZOXOQ-UONOGXRCSA-N 1 0 231.339 2.418 20 30 BEEDRO C[C@H](CCCC#N)N1CC([NH+]2CCCCC2)C1 ZINC001172502845 974857567 /nfs/dbraw/zinc/85/75/67/974857567.db2.gz XGKJULNHDLEEIX-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)ncc1C#N ZINC001651230300 1172933144 /nfs/dbraw/zinc/93/31/44/1172933144.db2.gz ZSANMOPCFUUWHR-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)Cn1cccn1 ZINC000569328029 322910644 /nfs/dbraw/zinc/91/06/44/322910644.db2.gz YSUJBQUJVSOMPB-CYBMUJFWSA-N 1 0 248.374 2.439 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000279248473 166111252 /nfs/dbraw/zinc/11/12/52/166111252.db2.gz KYRZMUIWXWNLIE-UHFFFAOYSA-N 1 0 246.310 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C=CC[C@@H](CO)[NH2+]CC(C)(C)c1ccccc1 ZINC000680484552 487605273 /nfs/dbraw/zinc/60/52/73/487605273.db2.gz MFLPOQJHVKBPCS-AWEZNQCLSA-N 1 0 233.355 2.491 20 30 BEEDRO C#CCCC[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000270875216 166129471 /nfs/dbraw/zinc/12/94/71/166129471.db2.gz AIDRAJLOPCJLEV-UHFFFAOYSA-N 1 0 235.327 2.450 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000271067583 166129392 /nfs/dbraw/zinc/12/93/92/166129392.db2.gz GSVSADBJKZWMOX-LBPRGKRZSA-N 1 0 202.301 2.488 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001651820440 1172992762 /nfs/dbraw/zinc/99/27/62/1172992762.db2.gz OVVKPYCHIZRDII-GXTWGEPZSA-N 1 0 231.343 2.176 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000679575925 487608062 /nfs/dbraw/zinc/60/80/62/487608062.db2.gz DYOYJKZWPXOOCU-LBPRGKRZSA-N 1 0 235.327 2.032 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000178058541 166133255 /nfs/dbraw/zinc/13/32/55/166133255.db2.gz KZZWLCJEYZCSDT-YVEFUNNKSA-N 1 0 249.379 2.488 20 30 BEEDRO C#CCC[NH+]1CCN([C@@H](C)c2ccsc2)CC1 ZINC000274125571 166137724 /nfs/dbraw/zinc/13/77/24/166137724.db2.gz CYOVCUIUXASTCI-ZDUSSCGKSA-N 1 0 248.395 2.450 20 30 BEEDRO C#CCC[N@@H+](C)CCc1ccc(F)cc1 ZINC000270596823 166135740 /nfs/dbraw/zinc/13/57/40/166135740.db2.gz KZXVRVKUGWFMJL-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C#CCC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000268699679 166136575 /nfs/dbraw/zinc/13/65/75/166136575.db2.gz JTRVZTZHIQUVHU-INIZCTEOSA-N 1 0 243.350 2.455 20 30 BEEDRO C=CC[C@@]1(C(=O)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662436837 409717595 /nfs/dbraw/zinc/71/75/95/409717595.db2.gz DAJYFILVDGSFTK-OCCSQVGLSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@@]1(C(=O)NC[C@H](C)C(C)C)CCC[NH2+]1 ZINC000662618120 409790984 /nfs/dbraw/zinc/79/09/84/409790984.db2.gz UBTXABNOMNNKIH-JSGCOSHPSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccc(O)cc2)CCC[NH2+]1 ZINC000662765048 409887847 /nfs/dbraw/zinc/88/78/47/409887847.db2.gz CTEQDBHXKMCKFU-CQSZACIVSA-N 1 0 246.310 2.029 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000602702223 410027830 /nfs/dbraw/zinc/02/78/30/410027830.db2.gz JSELFKCCOTWUBI-IJLUTSLNSA-N 1 0 227.311 2.231 20 30 BEEDRO CCC(=O)CCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661152431 410304711 /nfs/dbraw/zinc/30/47/11/410304711.db2.gz FERXAKLPYVLNEF-GFCCVEGCSA-N 1 0 222.332 2.371 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@H](C)COC ZINC000661239791 410399267 /nfs/dbraw/zinc/39/92/67/410399267.db2.gz JDZWRRIRSCBLPB-UPJWGTAASA-N 1 0 227.348 2.077 20 30 BEEDRO C=CC[N@@H+](CCc1cncs1)[C@H](C)COC ZINC000661241304 410402870 /nfs/dbraw/zinc/40/28/70/410402870.db2.gz VKVTZAYFKGGJHR-LLVKDONJSA-N 1 0 240.372 2.209 20 30 BEEDRO C=CC[N@@H+](CCC(F)(F)F)[C@@H](C)COC ZINC000661241495 410404440 /nfs/dbraw/zinc/40/44/40/410404440.db2.gz ZEUYKCOBBCQWJN-VIFPVBQESA-N 1 0 225.254 2.462 20 30 BEEDRO Cc1cncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000335597407 410450674 /nfs/dbraw/zinc/45/06/74/410450674.db2.gz UKLZWXIKMSDFPI-WCQYABFASA-N 1 0 215.300 2.172 20 30 BEEDRO Cc1cncc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000335597408 410451109 /nfs/dbraw/zinc/45/11/09/410451109.db2.gz UKLZWXIKMSDFPI-YPMHNXCESA-N 1 0 215.300 2.172 20 30 BEEDRO C#CC[N@@H+](CC)CC1=Cc2ccccc2OC1 ZINC000271145772 166167817 /nfs/dbraw/zinc/16/78/17/166167817.db2.gz RPIDLGOSBANJDO-UHFFFAOYSA-N 1 0 227.307 2.418 20 30 BEEDRO C#CC[N@@H+](CCC)Cc1ccccc1O ZINC000069009981 166170008 /nfs/dbraw/zinc/17/00/08/166170008.db2.gz QVDDADIBPWVNSR-UHFFFAOYSA-N 1 0 203.285 2.237 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000157191066 166192817 /nfs/dbraw/zinc/19/28/17/166192817.db2.gz AAROBGSIAZAMES-GFCCVEGCSA-N 1 0 242.322 2.097 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CC[C@@H](C)OC)cc1 ZINC000264974124 166198754 /nfs/dbraw/zinc/19/87/54/166198754.db2.gz RPESYCDIGJWPRV-CYBMUJFWSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCOC(C)C ZINC000168959260 166199282 /nfs/dbraw/zinc/19/92/82/166199282.db2.gz XGDAKDLTVOUZGP-UHFFFAOYSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)CC ZINC000170953562 166200486 /nfs/dbraw/zinc/20/04/86/166200486.db2.gz ZKQZUORMOUBTFH-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO C#CC[C@@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000271648365 166205030 /nfs/dbraw/zinc/20/50/30/166205030.db2.gz ASISUOJHWQBWKN-OAHLLOKOSA-N 1 0 239.322 2.237 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000289562084 166217531 /nfs/dbraw/zinc/21/75/31/166217531.db2.gz RUYGTGWNSULYHD-OLZOCXBDSA-N 1 0 201.313 2.477 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000289339619 166217594 /nfs/dbraw/zinc/21/75/94/166217594.db2.gz HRPQPHDHGKXBOJ-VIFPVBQESA-N 1 0 223.703 2.465 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)OC(C)C ZINC000268371001 166233105 /nfs/dbraw/zinc/23/31/05/166233105.db2.gz RTMHYKZSGYCVRL-NSHDSACASA-N 1 0 213.321 2.225 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N(CC=C)CC=C ZINC000265592207 166233300 /nfs/dbraw/zinc/23/33/00/166233300.db2.gz IDOZQTSJGXAKDK-UHFFFAOYSA-N 1 0 236.359 2.085 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000360558151 166234512 /nfs/dbraw/zinc/23/45/12/166234512.db2.gz YQDPXUPHGVUZHI-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000279859205 166242013 /nfs/dbraw/zinc/24/20/13/166242013.db2.gz PVLSOAOEXACIGE-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO C=CCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000279832658 166244381 /nfs/dbraw/zinc/24/43/81/166244381.db2.gz CFFIFMDCBKZBAN-LBPRGKRZSA-N 1 0 219.332 2.427 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N(C)c1ccccc1 ZINC000276379422 166255771 /nfs/dbraw/zinc/25/57/71/166255771.db2.gz HXGWQIBKVGDIJN-UHFFFAOYSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCC[N@@H+](C)CCn1nc(C)cc1C ZINC000276359796 166255909 /nfs/dbraw/zinc/25/59/09/166255909.db2.gz FRAPBOGGMADCKY-UHFFFAOYSA-N 1 0 207.321 2.008 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000276525641 166257326 /nfs/dbraw/zinc/25/73/26/166257326.db2.gz ZHTUNUHSVWHYFM-CQSZACIVSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C(=O)N(C)C)c1ccccc1 ZINC000276354953 166258421 /nfs/dbraw/zinc/25/84/21/166258421.db2.gz DVADERLBCKDMBP-AWEZNQCLSA-N 1 0 246.354 2.324 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000172619878 166258443 /nfs/dbraw/zinc/25/84/43/166258443.db2.gz XKEDNULIKWYPMN-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C=CCC[N@@H+](C)Cc1nnc(-c2ccco2)o1 ZINC000276501630 166259678 /nfs/dbraw/zinc/25/96/78/166259678.db2.gz WJLIUGWAMQKFRB-UHFFFAOYSA-N 1 0 233.271 2.338 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267403890 166264840 /nfs/dbraw/zinc/26/48/40/166264840.db2.gz GQJWBXFFDHJRQK-LLVKDONJSA-N 1 0 205.305 2.165 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000229880635 166270319 /nfs/dbraw/zinc/27/03/19/166270319.db2.gz IENJYAAAYDIELD-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnc(CC)s1 ZINC000126691096 166270438 /nfs/dbraw/zinc/27/04/38/166270438.db2.gz ZKEFKUMWYHAMTJ-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO 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BEEDRO C=CCCCCCNC(=O)CCC(C)(C)[NH3+] ZINC000655488871 410801084 /nfs/dbraw/zinc/80/10/84/410801084.db2.gz ODIBNABQWCZRLC-UHFFFAOYSA-N 1 0 226.364 2.367 20 30 BEEDRO CC[NH+](CC)CCCNc1ccc(C)c(C#N)n1 ZINC000302738220 169775892 /nfs/dbraw/zinc/77/58/92/169775892.db2.gz PTANIAGDBRBUBV-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO CC(C)C[NH2+]Cc1cc(C#N)ccc1F ZINC000020036841 167007978 /nfs/dbraw/zinc/00/79/78/167007978.db2.gz CKIZMQFXDXJJDD-UHFFFAOYSA-N 1 0 206.264 2.443 20 30 BEEDRO CC(C)SCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000290181414 167330416 /nfs/dbraw/zinc/33/04/16/167330416.db2.gz RWQKYRXSDIBYNT-UHFFFAOYSA-N 1 0 237.372 2.128 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)CCF ZINC000652019096 410999562 /nfs/dbraw/zinc/99/95/62/410999562.db2.gz JNZNYWNLTDGNDG-RYUDHWBXSA-N 1 0 217.328 2.431 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661622514 411076180 /nfs/dbraw/zinc/07/61/80/411076180.db2.gz UNBJOKSXSHURHZ-ITGUQSILSA-N 1 0 211.349 2.291 20 30 BEEDRO 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C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000651828683 411146448 /nfs/dbraw/zinc/14/64/48/411146448.db2.gz YNZWPUWVSOLUPV-SYQHCUMBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000651832535 411146744 /nfs/dbraw/zinc/14/67/44/411146744.db2.gz UAQKWRCHMWSVKD-LPWJVIDDSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000651832537 411146863 /nfs/dbraw/zinc/14/68/63/411146863.db2.gz UAQKWRCHMWSVKD-XQHKEYJVSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(OC)CC2)C1 ZINC000651833892 411147126 /nfs/dbraw/zinc/14/71/26/411147126.db2.gz TWQGIFFYMIZFCY-GXTWGEPZSA-N 1 0 238.375 2.347 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COCC ZINC000657889718 411154393 /nfs/dbraw/zinc/15/43/93/411154393.db2.gz TWTBGFHRLOHBBW-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCn1cc(C[N@H+](CC)CC2CCC2)nn1 ZINC000653653749 411155442 /nfs/dbraw/zinc/15/54/42/411155442.db2.gz GZTRPHSXSJVGLT-UHFFFAOYSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCO ZINC000657893292 411155542 /nfs/dbraw/zinc/15/55/42/411155542.db2.gz WZCCGUKMUDPUAE-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652046758 411093740 /nfs/dbraw/zinc/09/37/40/411093740.db2.gz ZNFOUPTWGSXNPU-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652046759 411094473 /nfs/dbraw/zinc/09/44/73/411094473.db2.gz ZNFOUPTWGSXNPU-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)CCO ZINC000652046023 411096046 /nfs/dbraw/zinc/09/60/46/411096046.db2.gz LDGZDAHKTMPVIR-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO CC(C)C1([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000292926655 411171972 /nfs/dbraw/zinc/17/19/72/411171972.db2.gz GPAITBVWVBDGBV-UHFFFAOYSA-N 1 0 204.273 2.429 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655752493 411180318 /nfs/dbraw/zinc/18/03/18/411180318.db2.gz YVQQIJSLAAQCQC-QWRGUYRKSA-N 1 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2.226 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000658104067 411246031 /nfs/dbraw/zinc/24/60/31/411246031.db2.gz YSTDCMUSFKTGOA-BJDJZHNGSA-N 1 0 234.347 2.474 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000658070941 411232001 /nfs/dbraw/zinc/23/20/01/411232001.db2.gz BEPQHJMHAFTYNE-FQUUOJAGSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000658087851 411238999 /nfs/dbraw/zinc/23/89/99/411238999.db2.gz WECPZUJGVSNCCQ-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\CO ZINC000658139795 411264533 /nfs/dbraw/zinc/26/45/33/411264533.db2.gz SFGMZMLZWDJXGR-QLQVPFRHSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](COC)C1CCCC1 ZINC000658205565 411293012 /nfs/dbraw/zinc/29/30/12/411293012.db2.gz IWXKLHRFCXUXTG-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1nccnc1C ZINC000658207230 411293378 /nfs/dbraw/zinc/29/33/78/411293378.db2.gz SSYXLOMLUDVRAJ-NSHDSACASA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000658207065 411293484 /nfs/dbraw/zinc/29/34/84/411293484.db2.gz SCEZUMOHEMUSRF-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cncs1 ZINC000658209654 411294623 /nfs/dbraw/zinc/29/46/23/411294623.db2.gz ITCBIWUMPOFQEL-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000658210694 411295367 /nfs/dbraw/zinc/29/53/67/411295367.db2.gz VNPUWHOEQPHELT-ZDUSSCGKSA-N 1 0 237.347 2.054 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC(C)CC1 ZINC000602516340 411296340 /nfs/dbraw/zinc/29/63/40/411296340.db2.gz ZHVUUQOBIHNJAK-AWEZNQCLSA-N 1 0 237.391 2.248 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655777494 411296955 /nfs/dbraw/zinc/29/69/55/411296955.db2.gz ULJCSZOMQUZBKX-VOAKCMCISA-N 1 0 241.400 2.451 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](COC)C1CCCC1 ZINC000446928255 411309188 /nfs/dbraw/zinc/30/91/88/411309188.db2.gz KQAKKIVJGAVEFR-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO Cc1nc(N(CC[NH+](C)C)C(C)C)ccc1C#N ZINC000291775314 411314798 /nfs/dbraw/zinc/31/47/98/411314798.db2.gz CEHLUHRBLVOMJC-UHFFFAOYSA-N 1 0 246.358 2.038 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000658255835 411316113 /nfs/dbraw/zinc/31/61/13/411316113.db2.gz VKXUKTKNZMZRPR-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000658255833 411316291 /nfs/dbraw/zinc/31/62/91/411316291.db2.gz VKXUKTKNZMZRPR-AAEUAGOBSA-N 1 0 211.349 2.339 20 30 BEEDRO CC1(C)CCC[C@]1(O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000354151233 167917010 /nfs/dbraw/zinc/91/70/10/167917010.db2.gz WNXDOIQJFHOBIW-DYEKYZERSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654063224 411325765 /nfs/dbraw/zinc/32/57/65/411325765.db2.gz OILRMXWKGKJQQD-TXEJJXNPSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655773757 411255281 /nfs/dbraw/zinc/25/52/81/411255281.db2.gz GPBXIWSABAOUOW-IJLUTSLNSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCn2ccnc21 ZINC000655773910 411257093 /nfs/dbraw/zinc/25/70/93/411257093.db2.gz KOHZDBQHTGNDCR-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(C)C)nc1C ZINC000662168857 411372797 /nfs/dbraw/zinc/37/27/97/411372797.db2.gz XVMFTOUFKAWYNU-CYBMUJFWSA-N 1 0 234.343 2.150 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCOc1ccc(C)c(C)c1 ZINC000662165743 411370797 /nfs/dbraw/zinc/37/07/97/411370797.db2.gz NNUQZGXMLFUJMZ-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654312763 411370786 /nfs/dbraw/zinc/37/07/86/411370786.db2.gz YKTQUSYYPJJKHS-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO CC1(CNc2ccc(C#N)cc2)CC[NH2+]CC1 ZINC000129430780 168047279 /nfs/dbraw/zinc/04/72/79/168047279.db2.gz LYIQPSQWUUQNOT-UHFFFAOYSA-N 1 0 229.327 2.360 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000656710239 411336340 /nfs/dbraw/zinc/33/63/40/411336340.db2.gz VRHQFOPIMUXEQM-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000656703731 411339324 /nfs/dbraw/zinc/33/93/24/411339324.db2.gz CZBBGPAEVUUSNH-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=CCCC1(C[NH2+]C[C@@H](C)O)CCCC1 ZINC000656702816 411340052 /nfs/dbraw/zinc/34/00/52/411340052.db2.gz JXGSEBNOIOLVJH-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1OC ZINC000658335074 411343380 /nfs/dbraw/zinc/34/33/80/411343380.db2.gz JJNMZLHHRCDHHX-VXGBXAGGSA-N 1 0 235.327 2.201 20 30 BEEDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335312101 168007265 /nfs/dbraw/zinc/00/72/65/168007265.db2.gz AHXMPBMAYUTXOB-GFCCVEGCSA-N 1 0 248.301 2.043 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(C#N)o3)C[C@@H]21 ZINC000093661050 168012870 /nfs/dbraw/zinc/01/28/70/168012870.db2.gz HRSGONIAZOYHHG-TXEJJXNPSA-N 1 0 216.284 2.239 20 30 BEEDRO CC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000335602565 168046316 /nfs/dbraw/zinc/04/63/16/168046316.db2.gz JBWQXAJCPGIGEJ-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO CC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000080249489 168146732 /nfs/dbraw/zinc/14/67/32/168146732.db2.gz MMIARSXCRPIYFW-UHFFFAOYSA-N 1 0 200.285 2.446 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000657013434 411391623 /nfs/dbraw/zinc/39/16/23/411391623.db2.gz JHMITTRBOWMAOM-ZDUSSCGKSA-N 1 0 247.338 2.304 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC[C@@H]1CCCCO1 ZINC000491678834 411395649 /nfs/dbraw/zinc/39/56/49/411395649.db2.gz VHBVHZPTOHDYQB-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCCn1cc(C[NH2+]C(C)(C)CC)nn1 ZINC000653497183 411396802 /nfs/dbraw/zinc/39/68/02/411396802.db2.gz UZTAUTOUXDZWRG-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO CC(C)COCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397626867 411399352 /nfs/dbraw/zinc/39/93/52/411399352.db2.gz MXFGVUPVNHDHJT-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000657237220 411423413 /nfs/dbraw/zinc/42/34/13/411423413.db2.gz LJWQAVSAVZIKDK-AVGNSLFASA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCCn1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000653568506 411423646 /nfs/dbraw/zinc/42/36/46/411423646.db2.gz YPPXHFKZSNLUDL-CHWSQXEVSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nn1 ZINC000653568505 411423753 /nfs/dbraw/zinc/42/37/53/411423753.db2.gz YPPXHFKZSNLUDL-BETUJISGSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CCCn1cc(C[NH+](C(C)C)C(C)C)nn1 ZINC000653596902 411430718 /nfs/dbraw/zinc/43/07/18/411430718.db2.gz SGRZLVWQAXUNHC-UHFFFAOYSA-N 1 0 236.363 2.473 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)[C@H](C)CC)nn1 ZINC000653605432 411431875 /nfs/dbraw/zinc/43/18/75/411431875.db2.gz WRWLRKADSKXDMN-VXGBXAGGSA-N 1 0 236.363 2.378 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1=CCCOC1 ZINC000130780993 411438529 /nfs/dbraw/zinc/43/85/29/411438529.db2.gz PFGLWNAHFAPSTF-UHFFFAOYSA-N 1 0 242.322 2.337 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655733672 411441969 /nfs/dbraw/zinc/44/19/69/411441969.db2.gz PHFXGWKERRWEII-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659914780 411497010 /nfs/dbraw/zinc/49/70/10/411497010.db2.gz CMQPULQGJIJPSK-LBPRGKRZSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)C2CCC2)nn1 ZINC000657417357 411500620 /nfs/dbraw/zinc/50/06/20/411500620.db2.gz NDCHTQMIRLGMGW-LLVKDONJSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000659536450 411502067 /nfs/dbraw/zinc/50/20/67/411502067.db2.gz GVTXUJGBHQAEPC-LLVKDONJSA-N 1 0 241.379 2.028 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2ccncc2s1 ZINC000657434880 411507451 /nfs/dbraw/zinc/50/74/51/411507451.db2.gz IXLYJWUUDBIZLT-NSHDSACASA-N 1 0 248.351 2.323 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657456614 411515642 /nfs/dbraw/zinc/51/56/42/411515642.db2.gz UQTDPKXOPYQEGR-LLVKDONJSA-N 1 0 234.347 2.447 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn2c1CCC2 ZINC000657455934 411515831 /nfs/dbraw/zinc/51/58/31/411515831.db2.gz OARDCSKXFDNKPP-GFCCVEGCSA-N 1 0 219.332 2.274 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@H]2CC[C@H](C)C2)nn1 ZINC000657456936 411520893 /nfs/dbraw/zinc/52/08/93/411520893.db2.gz BVTIJHZYTTUPNP-STQMWFEESA-N 1 0 248.374 2.380 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nccn1C(C)C ZINC000657495753 411535100 /nfs/dbraw/zinc/53/51/00/411535100.db2.gz LWBVENGFAUMIIU-STQMWFEESA-N 1 0 249.358 2.145 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc2n1CCC2 ZINC000657481892 411527121 /nfs/dbraw/zinc/52/71/21/411527121.db2.gz ZOMNVOFIVZODGN-UHFFFAOYSA-N 1 0 219.332 2.131 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000657485424 411530202 /nfs/dbraw/zinc/53/02/02/411530202.db2.gz ZFHDDDMAJFZYAP-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCC(=O)NCC(C)C ZINC000659829155 411466310 /nfs/dbraw/zinc/46/63/10/411466310.db2.gz LLHDVZKVJIMGED-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC000657529749 411544411 /nfs/dbraw/zinc/54/44/11/411544411.db2.gz HPBBNASDXPJDQA-DGCLKSJQSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)nn1 ZINC000657499892 411535506 /nfs/dbraw/zinc/53/55/06/411535506.db2.gz ISCUYYXIRPRPOU-RWMBFGLXSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000657566484 411552856 /nfs/dbraw/zinc/55/28/56/411552856.db2.gz KPQPIIYDVSJHLB-AVGNSLFASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[NH2+]Cc1c(CC)nn(C)c1CC ZINC000657582738 411554592 /nfs/dbraw/zinc/55/45/92/411554592.db2.gz CKESTINTIKKFTL-UHFFFAOYSA-N 1 0 221.348 2.211 20 30 BEEDRO C=CCC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657583155 411554804 /nfs/dbraw/zinc/55/48/04/411554804.db2.gz CUIKHGOAFMWROJ-UHFFFAOYSA-N 1 0 233.237 2.105 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](COC)OC)C1 ZINC000657554681 411549263 /nfs/dbraw/zinc/54/92/63/411549263.db2.gz PTIKTLDMXMVQMT-MGPQQGTHSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC1([NH2+][C@H](C)C2CC2)CCOCC1 ZINC000657633191 411567316 /nfs/dbraw/zinc/56/73/16/411567316.db2.gz KCLWLLYNDBMRLN-LLVKDONJSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2CCSC2)CCOCC1 ZINC000657633612 411567557 /nfs/dbraw/zinc/56/75/57/411567557.db2.gz SKELBTSHLFAWOG-GFCCVEGCSA-N 1 0 241.400 2.454 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc2nccn21 ZINC000657657778 411571807 /nfs/dbraw/zinc/57/18/07/411571807.db2.gz BZJSYWBMSKUKLD-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCCSC1 ZINC000657658957 411572558 /nfs/dbraw/zinc/57/25/58/411572558.db2.gz LLGKLJVPHOASRT-LLVKDONJSA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000657659262 411572813 /nfs/dbraw/zinc/57/28/13/411572813.db2.gz UPUIEEGTLFSFNC-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@]2(C)CC2(C)C)nn1 ZINC000657761611 411591441 /nfs/dbraw/zinc/59/14/41/411591441.db2.gz PAXUJOJOHKHKSL-CYBMUJFWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000657823521 411606857 /nfs/dbraw/zinc/60/68/57/411606857.db2.gz MJZBFTZCFXTMIO-OLZOCXBDSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCC ZINC000657825575 411607613 /nfs/dbraw/zinc/60/76/13/411607613.db2.gz NYBXXKHQOXFANK-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nncn1C ZINC000657833606 411608770 /nfs/dbraw/zinc/60/87/70/411608770.db2.gz HIDANEIESKRSRI-RYUDHWBXSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nncn1C ZINC000657833608 411608979 /nfs/dbraw/zinc/60/89/79/411608979.db2.gz HIDANEIESKRSRI-VXGBXAGGSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOCCOC ZINC000657853076 411612101 /nfs/dbraw/zinc/61/21/01/411612101.db2.gz ZBQUPWDPMPKWPC-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCC(=O)NC ZINC000657857255 411612696 /nfs/dbraw/zinc/61/26/96/411612696.db2.gz YOPVMLLWGGXMME-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CC)[C@@H](C)CC)nn1 ZINC000661104557 411708545 /nfs/dbraw/zinc/70/85/45/411708545.db2.gz QITCEMMGZMJNHM-LBPRGKRZSA-N 1 0 236.363 2.475 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661089990 411702455 /nfs/dbraw/zinc/70/24/55/411702455.db2.gz BEFMYXUXENZAJS-CQSZACIVSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CC[N@@H+](CCOCC1CCC1)[C@H](C)COC ZINC000661238908 411739170 /nfs/dbraw/zinc/73/91/70/411739170.db2.gz HKYLIMKYTZLZCM-CYBMUJFWSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@@H+](CCC(C)(C)OC)[C@H](C)COC ZINC000661240639 411741312 /nfs/dbraw/zinc/74/13/12/411741312.db2.gz PKYFLFJRWQVTQD-GFCCVEGCSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCCCCO)C1 ZINC000661379165 411752705 /nfs/dbraw/zinc/75/27/05/411752705.db2.gz VHSGKWCRJMONDD-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO COCC#CC[NH+]1CCC(C2CCC2)CC1 ZINC000661374864 411758653 /nfs/dbraw/zinc/75/86/53/411758653.db2.gz PRLYUEFKIKTNOJ-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)COC(C)C)C1 ZINC000661378878 411759764 /nfs/dbraw/zinc/75/97/64/411759764.db2.gz NSAKUZLZRSEDEK-KBPBESRZSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000661378864 411760381 /nfs/dbraw/zinc/76/03/81/411760381.db2.gz NJMNVCKRRPEHKT-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC000661377750 411760471 /nfs/dbraw/zinc/76/04/71/411760471.db2.gz TUHQXPUVFWFFLJ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCC[C@H](C)O)C1 ZINC000661384946 411766078 /nfs/dbraw/zinc/76/60/78/411766078.db2.gz MIWNNWVWBHBYJM-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661393338 411767641 /nfs/dbraw/zinc/76/76/41/411767641.db2.gz PSAKVVHMKSXTGB-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cscn1 ZINC000661425334 411774199 /nfs/dbraw/zinc/77/41/99/411774199.db2.gz SLSJHLPCVUZBHD-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO CC#CCC[N@@H+]1CC2(CCC2)OC[C@H]1C ZINC000661465230 411782692 /nfs/dbraw/zinc/78/26/92/411782692.db2.gz DGBIWOBSQNAKKH-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661168135 411726811 /nfs/dbraw/zinc/72/68/11/411726811.db2.gz MMPNPHLQLDWGIY-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@@H](CO)Nc1[nH+]ccc2[nH]ccc21 ZINC000663994003 411805288 /nfs/dbraw/zinc/80/52/88/411805288.db2.gz YCPVWJAGVZMITH-JTQLQIEISA-N 1 0 231.299 2.302 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661626870 411821771 /nfs/dbraw/zinc/82/17/71/411821771.db2.gz OMDRLKNQZWOVJJ-CYBMUJFWSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)CCOC(C)C)C(C)(C)C ZINC000661756994 411866457 /nfs/dbraw/zinc/86/64/57/411866457.db2.gz AKSIHLNDGAWKIY-ZDUSSCGKSA-N 1 0 243.391 2.449 20 30 BEEDRO C=CCC1([NH2+]CC(=O)N(C)C2CC2)CCCC1 ZINC000661848234 411900771 /nfs/dbraw/zinc/90/07/71/411900771.db2.gz JRNGTDRPCOPPSB-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC1([NH2+]Cc2ccc(OC)nn2)CCCC1 ZINC000661850514 411901167 /nfs/dbraw/zinc/90/11/67/411901167.db2.gz JKYROUYQTPSODY-UHFFFAOYSA-N 1 0 247.342 2.464 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661873785 411911713 /nfs/dbraw/zinc/91/17/13/411911713.db2.gz GJWFLHKUKBRWFY-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000112379684 170802214 /nfs/dbraw/zinc/80/22/14/170802214.db2.gz AKQGUFGQDVEILU-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CC[N@@H+](Cc1cnnn1CC)C(C)(C)C ZINC000661758297 411868356 /nfs/dbraw/zinc/86/83/56/411868356.db2.gz RCDWHNIZQFCOPS-UHFFFAOYSA-N 1 0 222.336 2.085 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC)C1CC1 ZINC000661756800 411869578 /nfs/dbraw/zinc/86/95/78/411869578.db2.gz AYBDSHXWJXVYTC-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C[C@@H](OC)[C@H]1CCOC1)C(C)(C)C ZINC000661758489 411869745 /nfs/dbraw/zinc/86/97/45/411869745.db2.gz SSCHREXQNGNWBI-QWHCGFSZSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](Cc1ccnn1C)C(C)(C)C ZINC000661760769 411871803 /nfs/dbraw/zinc/87/18/03/411871803.db2.gz ZYMFTYZTLXXXFU-UHFFFAOYSA-N 1 0 207.321 2.207 20 30 BEEDRO C=CC[N@@H+](CCn1ccnc1)C(C)(C)C ZINC000661760451 411872047 /nfs/dbraw/zinc/87/20/47/411872047.db2.gz UAJWXWILICPXRZ-UHFFFAOYSA-N 1 0 207.321 2.170 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(CC(C)C)CC1 ZINC000662069284 411969440 /nfs/dbraw/zinc/96/94/40/411969440.db2.gz JOEWKJJKWXAHJH-GFCCVEGCSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccno1 ZINC000662081121 411979337 /nfs/dbraw/zinc/97/93/37/411979337.db2.gz NJJQVYFCCRXFBI-PHIMTYICSA-N 1 0 204.273 2.358 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cnn(C)c1 ZINC000662084650 411981516 /nfs/dbraw/zinc/98/15/16/411981516.db2.gz UKZKACLJQYSUFN-OKILXGFUSA-N 1 0 231.343 2.146 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nnc(C)[nH]1 ZINC000662089417 411983861 /nfs/dbraw/zinc/98/38/61/411983861.db2.gz XZQCNMJCBIZENV-ZMLRMANQSA-N 1 0 232.331 2.357 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCc1c(F)cccc1F ZINC000662168663 412018112 /nfs/dbraw/zinc/01/81/12/412018112.db2.gz PMUFXGVWSLQZCT-SNVBAGLBSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662041433 411958910 /nfs/dbraw/zinc/95/89/10/411958910.db2.gz AGBDGUFTNUEBMP-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833366 412028416 /nfs/dbraw/zinc/02/84/16/412028416.db2.gz QCQJWKIMGGEDJA-KBPBESRZSA-N 1 0 246.354 2.402 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000281413890 171089169 /nfs/dbraw/zinc/08/91/69/171089169.db2.gz YMNDVMFVNBUHIX-LLVKDONJSA-N 1 0 234.299 2.152 20 30 BEEDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000087013560 171184871 /nfs/dbraw/zinc/18/48/71/171184871.db2.gz GFSFQFOOICONSK-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO CSCC[N@H+](C)[C@H](C)CCCC#N ZINC001172508435 974863529 /nfs/dbraw/zinc/86/35/29/974863529.db2.gz CZGODEDAKDDJLX-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO CC[C@H](C(=O)Nc1cc(C#N)ccc1C)[NH+](C)C ZINC000268815191 171234058 /nfs/dbraw/zinc/23/40/58/171234058.db2.gz POPIWQNTBOVZCE-CYBMUJFWSA-N 1 0 245.326 2.145 20 30 BEEDRO CC[C@H](C)C[N@H+](C)C[C@H](C#N)CCC#N ZINC000112560523 171273053 /nfs/dbraw/zinc/27/30/53/171273053.db2.gz MHODGHMDAUZIGC-RYUDHWBXSA-N 1 0 207.321 2.408 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001172508962 974863542 /nfs/dbraw/zinc/86/35/42/974863542.db2.gz ICFZVWWMURMNLZ-MGPQQGTHSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000264841353 171378328 /nfs/dbraw/zinc/37/83/28/171378328.db2.gz ITVJBVQFAAJABE-FZMZJTMJSA-N 1 0 232.327 2.055 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009833 171419038 /nfs/dbraw/zinc/41/90/38/171419038.db2.gz WAWLDVDCTGHMKN-CHWSQXEVSA-N 1 0 230.311 2.272 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662347289 412118506 /nfs/dbraw/zinc/11/85/06/412118506.db2.gz ZNWNZGFOHLCUMM-NWDGAFQWSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662368959 412128447 /nfs/dbraw/zinc/12/84/47/412128447.db2.gz IUDJOGGJTCGZQK-LLVKDONJSA-N 1 0 219.275 2.309 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662466201 412184792 /nfs/dbraw/zinc/18/47/92/412184792.db2.gz UYNFKZDYPDKEBX-SMDDNHRTSA-N 1 0 244.338 2.302 20 30 BEEDRO C=CC[C@@]1(C(=O)NCc2ccccc2)CCC[NH2+]1 ZINC000662429783 412166601 /nfs/dbraw/zinc/16/66/01/412166601.db2.gz QAUDZFUNMJUBHQ-HNNXBMFYSA-N 1 0 244.338 2.001 20 30 BEEDRO C=CC[C@]1(C(=O)N(CCC)CCC)CCC[NH2+]1 ZINC000662433520 412170418 /nfs/dbraw/zinc/17/04/18/412170418.db2.gz IMPONAAUWYHDIO-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCN(CC=C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662433908 412171784 /nfs/dbraw/zinc/17/17/84/412171784.db2.gz VGWSXSDBFSMPQW-UHFFFAOYSA-N 1 0 242.322 2.104 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cccc(C)n2)CCC[NH2+]1 ZINC000662658676 412259499 /nfs/dbraw/zinc/25/94/99/412259499.db2.gz HVWDKPQBUQPISI-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cccnc2C)CCC[NH2+]1 ZINC000662674063 412267565 /nfs/dbraw/zinc/26/75/65/412267565.db2.gz YARSTYNAJKQNIX-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC)[NH2+]C ZINC000662600547 412235151 /nfs/dbraw/zinc/23/51/51/412235151.db2.gz GIGNXZZRRVJJFO-AGIUHOORSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[C@@H](C)[NH3+] ZINC000662603657 412236555 /nfs/dbraw/zinc/23/65/55/412236555.db2.gz YTONDHXZNSGVFT-UPJWGTAASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@]1(C(=O)NCC[C@@H](C)CC)CCC[NH2+]1 ZINC000662854641 412323851 /nfs/dbraw/zinc/32/38/51/412323851.db2.gz PAEBYUFGPUKPKI-GXTWGEPZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC1(NC(=O)c2coc(C[NH3+])c2)CCCC1 ZINC000662887930 412335799 /nfs/dbraw/zinc/33/57/99/412335799.db2.gz BCXIJPVDCXGQLG-UHFFFAOYSA-N 1 0 248.326 2.357 20 30 BEEDRO C=CCC1(NC(=O)c2ccc(C[NH3+])o2)CCCC1 ZINC000662888393 412336005 /nfs/dbraw/zinc/33/60/05/412336005.db2.gz JKDTVXYATPGGHN-UHFFFAOYSA-N 1 0 248.326 2.357 20 30 BEEDRO CN(C(=[NH2+])NCCCc1ccccc1F)C1CC1 ZINC000279948784 172292446 /nfs/dbraw/zinc/29/24/46/172292446.db2.gz AZZNIZCWUAVWBG-UHFFFAOYSA-N 1 0 249.333 2.167 20 30 BEEDRO CN(C)C(C)(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000135495013 172395922 /nfs/dbraw/zinc/39/59/22/172395922.db2.gz RJYXYMUCJKWIGO-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccnc(C#N)c2)C1 ZINC000283732401 172526313 /nfs/dbraw/zinc/52/63/13/172526313.db2.gz IAVGIZPDKZMFMT-SMDDNHRTSA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@@H+]1CCC[C@H](CNc2ccc(F)cc2C#N)C1 ZINC000111238358 173041793 /nfs/dbraw/zinc/04/17/93/173041793.db2.gz ZYUBRRTVABUWPI-LLVKDONJSA-N 1 0 247.317 2.451 20 30 BEEDRO C[N@@H+]1CCN(CC#Cc2ccccc2)C(C)(C)C1 ZINC000276961689 173075005 /nfs/dbraw/zinc/07/50/05/173075005.db2.gz MDIHOMAKVHAOSI-UHFFFAOYSA-N 1 0 242.366 2.064 20 30 BEEDRO C[N@@H+]1CC[C@@]2(CCN(c3ccc(C#N)cc3)C2)C1 ZINC000292431440 173141799 /nfs/dbraw/zinc/14/17/99/173141799.db2.gz XLGDNSDDTVIJKG-OAHLLOKOSA-N 1 0 241.338 2.090 20 30 BEEDRO C[NH2+]C[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000071147869 173370387 /nfs/dbraw/zinc/37/03/87/173370387.db2.gz APDYKQUSRLLHIT-JTQLQIEISA-N 1 0 249.745 2.257 20 30 BEEDRO C[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000071148047 173371241 /nfs/dbraw/zinc/37/12/41/173371241.db2.gz HBWJEMHBNVLKKS-JTQLQIEISA-N 1 0 249.745 2.257 20 30 BEEDRO C[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000071148049 173382300 /nfs/dbraw/zinc/38/23/00/173382300.db2.gz HBWJEMHBNVLKKS-SNVBAGLBSA-N 1 0 249.745 2.257 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000037250340 174029791 /nfs/dbraw/zinc/02/97/91/174029791.db2.gz WRZDTCNBTKQUMQ-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO COCC(C)(C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000336710928 174077251 /nfs/dbraw/zinc/07/72/51/174077251.db2.gz NGKZVCMAMHTELK-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO COCC1(C#N)CC[NH+](CC2CCC2)CC1 ZINC000341983762 174084372 /nfs/dbraw/zinc/08/43/72/174084372.db2.gz VFCCDOSCZJQRSM-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO COCC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000283901147 174109248 /nfs/dbraw/zinc/10/92/48/174109248.db2.gz HWQPPXLWOMVIAZ-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO COCCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000151207346 174155655 /nfs/dbraw/zinc/15/56/55/174155655.db2.gz XYMLQUJPUBKRCS-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO COCCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000058475440 174183200 /nfs/dbraw/zinc/18/32/00/174183200.db2.gz HCRHGHKVZXDZSS-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234723497 174200346 /nfs/dbraw/zinc/20/03/46/174200346.db2.gz MLWJKTQBDTXNBG-UHFFFAOYSA-N 1 0 248.326 2.083 20 30 BEEDRO COCCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000156365067 174215255 /nfs/dbraw/zinc/21/52/55/174215255.db2.gz OSERJYGIUCRZOE-UHFFFAOYSA-N 1 0 235.302 2.146 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234600195 174219607 /nfs/dbraw/zinc/21/96/07/174219607.db2.gz AUYRYAZYBLNJDZ-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO COCCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358556479 174249083 /nfs/dbraw/zinc/24/90/83/174249083.db2.gz MBJYBGWGRMNXKP-JTQLQIEISA-N 1 0 236.290 2.384 20 30 BEEDRO COCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353410098 174250513 /nfs/dbraw/zinc/25/05/13/174250513.db2.gz GJQUUPXPIUIVKH-CQSZACIVSA-N 1 0 230.311 2.172 20 30 BEEDRO COCC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000299386559 174281928 /nfs/dbraw/zinc/28/19/28/174281928.db2.gz PWEPMNBWAQZVLS-NSHDSACASA-N 1 0 218.300 2.197 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000045035941 174384055 /nfs/dbraw/zinc/38/40/55/174384055.db2.gz UIZRDDJGPBTBNT-LLVKDONJSA-N 1 0 218.300 2.073 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000045656268 174443049 /nfs/dbraw/zinc/44/30/49/174443049.db2.gz VYUNUFOFOCCOSI-RYUDHWBXSA-N 1 0 232.327 2.491 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353598722 174705982 /nfs/dbraw/zinc/70/59/82/174705982.db2.gz UNQDPBFZFSRJOS-IINYFYTJSA-N 1 0 230.311 2.170 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+](C)C[C@@H](C)OC ZINC000336785119 175052084 /nfs/dbraw/zinc/05/20/84/175052084.db2.gz BJVDKFZLVJBWDS-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC2(C)C)cc1C#N ZINC000087824097 175111267 /nfs/dbraw/zinc/11/12/67/175111267.db2.gz QMOYFGCRQKCEAW-ZDUSSCGKSA-N 1 0 230.311 2.455 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000294748108 175666166 /nfs/dbraw/zinc/66/61/66/175666166.db2.gz HWBSOAITRUPYCS-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1cccc(F)c1C#N ZINC000130422003 175700736 /nfs/dbraw/zinc/70/07/36/175700736.db2.gz GHQXCMNRXYOZKJ-VIFPVBQESA-N 1 0 221.279 2.059 20 30 BEEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1cnn(C)c1 ZINC000273419532 175873054 /nfs/dbraw/zinc/87/30/54/175873054.db2.gz VENSHQYIQPYIDZ-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000189284261 175889463 /nfs/dbraw/zinc/88/94/63/175889463.db2.gz GWDJNNWEUQQEIP-KYOSRNDESA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000336794981 175894354 /nfs/dbraw/zinc/89/43/54/175894354.db2.gz HAAONDVLCWRFQG-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCOC1 ZINC000337215647 175898413 /nfs/dbraw/zinc/89/84/13/175898413.db2.gz GVSPAIDJWUOICW-PWSUYJOCSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)O ZINC000267152053 176012962 /nfs/dbraw/zinc/01/29/62/176012962.db2.gz MUTODYJMBMVXAX-NSHDSACASA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(O)CC1 ZINC000118390912 176013641 /nfs/dbraw/zinc/01/36/41/176013641.db2.gz HLVGGWAVEFSOLN-NSHDSACASA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)N1CCC[N@H+](C)CC1 ZINC000297856747 176013679 /nfs/dbraw/zinc/01/36/79/176013679.db2.gz LPPAJDYLQWPOKW-ZDUSSCGKSA-N 1 0 243.354 2.257 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191160028 176099820 /nfs/dbraw/zinc/09/98/20/176099820.db2.gz RIEHNKUFPKHOEU-LLVKDONJSA-N 1 0 217.316 2.129 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000037910771 176108909 /nfs/dbraw/zinc/10/89/09/176108909.db2.gz QEBFEMOOVCFPNI-GFCCVEGCSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@@H]1CCN(Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000300094080 176176459 /nfs/dbraw/zinc/17/64/59/176176459.db2.gz UUGDNWFGBMPMLK-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@H]1C[N@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000092085380 176298582 /nfs/dbraw/zinc/29/85/82/176298582.db2.gz MSKNAKUBQSWEFO-ZOWXZIJZSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCCO1 ZINC000061918340 176302802 /nfs/dbraw/zinc/30/28/02/176302802.db2.gz RXWUJJBQIXLSCF-GFCCVEGCSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190859321 176314378 /nfs/dbraw/zinc/31/43/78/176314378.db2.gz VGIOZFBKGVBFFA-XUJVJEKNSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1COCC[N@H+](CC#Cc2ccccc2)C1 ZINC000336487953 176331370 /nfs/dbraw/zinc/33/13/70/176331370.db2.gz RWEQEMZRGDOUBI-AWEZNQCLSA-N 1 0 229.323 2.006 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000336487932 176332273 /nfs/dbraw/zinc/33/22/73/176332273.db2.gz IFQDYGBGHFNBLE-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000277458508 176344527 /nfs/dbraw/zinc/34/45/27/176344527.db2.gz MKPVFMCEEBZGFX-QMTHXVAHSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271504378 176370224 /nfs/dbraw/zinc/37/02/24/176370224.db2.gz OJWRBPJXEXNWOD-MNOVXSKESA-N 1 0 234.299 2.056 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCOC1 ZINC000135501883 176874585 /nfs/dbraw/zinc/87/45/85/176874585.db2.gz FFTXYLQHJFJXNF-VHSXEESVSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCC[NH2+]C1 ZINC000050163937 176935858 /nfs/dbraw/zinc/93/58/58/176935858.db2.gz JZNCQPBBAYUPAY-WDEREUQCSA-N 1 0 247.317 2.497 20 30 BEEDRO C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCC[NH2+]C1 ZINC000050163939 176936171 /nfs/dbraw/zinc/93/61/71/176936171.db2.gz JZNCQPBBAYUPAY-QWRGUYRKSA-N 1 0 247.317 2.497 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1(O)CCC1 ZINC000353485447 177031913 /nfs/dbraw/zinc/03/19/13/177031913.db2.gz TWHJCPFWCCWCQB-GFCCVEGCSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000292993101 177032503 /nfs/dbraw/zinc/03/25/03/177032503.db2.gz CHEIAKZVHNNKEL-IUODEOHRSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000265516703 177032967 /nfs/dbraw/zinc/03/29/67/177032967.db2.gz NGGPIHAPIJIYJA-BXUZGUMPSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC#Cc1ccccc1 ZINC000191158065 177066072 /nfs/dbraw/zinc/06/60/72/177066072.db2.gz HEVWRWLGWYDZSK-MZBDJJRSSA-N 1 0 243.350 2.272 20 30 BEEDRO C[C@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000037910768 177108891 /nfs/dbraw/zinc/10/88/91/177108891.db2.gz MDOXBFQRHXJUDL-LBPRGKRZSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1cccc(C#N)c1 ZINC000136163047 177120770 /nfs/dbraw/zinc/12/07/70/177120770.db2.gz XMEWCVGOJVUPCQ-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]1CC[N@H+](C)CCN1c1cccc(F)c1C#N ZINC000336314785 177157696 /nfs/dbraw/zinc/15/76/96/177157696.db2.gz ABMYKYUBHOOLFY-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000128430555 177205348 /nfs/dbraw/zinc/20/53/48/177205348.db2.gz KUOUGYHSBPRWCE-UWVGGRQHSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@@H]1CN(Cc2cc(C#N)cs2)C[C@H](C)[N@H+]1C ZINC000336380074 177260438 /nfs/dbraw/zinc/26/04/38/177260438.db2.gz BEYPMBMLNINENU-PHIMTYICSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000285582348 177295828 /nfs/dbraw/zinc/29/58/28/177295828.db2.gz UBWBQGAEWCNBNP-WFASDCNBSA-N 1 0 244.338 2.320 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191161087 177358940 /nfs/dbraw/zinc/35/89/40/177358940.db2.gz TZHRRXRLXFPFGQ-RYUDHWBXSA-N 1 0 231.343 2.375 20 30 BEEDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000271326966 177363103 /nfs/dbraw/zinc/36/31/03/177363103.db2.gz FEOXGRJETIZZSS-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(F)cc1C#N ZINC000229600785 177394959 /nfs/dbraw/zinc/39/49/59/177394959.db2.gz MPKFNYNQCAWKGY-SKDRFNHKSA-N 1 0 233.290 2.250 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000308878239 229254585 /nfs/dbraw/zinc/25/45/85/229254585.db2.gz OJHFRBXYBHVGFI-MGAJPHDKSA-N 1 0 204.317 2.457 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000308878237 229254834 /nfs/dbraw/zinc/25/48/34/229254834.db2.gz OJHFRBXYBHVGFI-IXOXFDKPSA-N 1 0 204.317 2.457 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404113786 229373331 /nfs/dbraw/zinc/37/33/31/229373331.db2.gz KMQRLYGSOOOCLM-ZIAGYGMSSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)cc1F ZINC000228601280 487688376 /nfs/dbraw/zinc/68/83/76/487688376.db2.gz BYVXDDGBORGLAI-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000681002394 487692726 /nfs/dbraw/zinc/69/27/26/487692726.db2.gz ARYDOWFOUSUTAX-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CCC#C[C@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000671699944 487696516 /nfs/dbraw/zinc/69/65/16/487696516.db2.gz WQUIDPHFMBOJTE-ZDUSSCGKSA-N 1 0 243.354 2.311 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399117674 262776064 /nfs/dbraw/zinc/77/60/64/262776064.db2.gz GOPHBYVMUSGWIB-IUODEOHRSA-N 1 0 244.338 2.410 20 30 BEEDRO CCC1([NH2+]CCOCCC#N)CCCC1 ZINC000395360784 262787237 /nfs/dbraw/zinc/78/72/37/262787237.db2.gz LSGBLUXCFMCUMQ-UHFFFAOYSA-N 1 0 210.321 2.229 20 30 BEEDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc(C#N)c1 ZINC000397868935 262938592 /nfs/dbraw/zinc/93/85/92/262938592.db2.gz RUOHETOPYANFKE-LBPRGKRZSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)O1 ZINC000398158010 262943529 /nfs/dbraw/zinc/94/35/29/262943529.db2.gz JKVLNUVGOMELHL-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO N#Cc1ccc(C2([NH2+]CCF)CCOCC2)cc1 ZINC000528779952 262974035 /nfs/dbraw/zinc/97/40/35/262974035.db2.gz ZONQIIKRJYXSNK-UHFFFAOYSA-N 1 0 248.301 2.123 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000681039296 487703216 /nfs/dbraw/zinc/70/32/16/487703216.db2.gz KGLRZXCTQBPTGY-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO CCC#C[C@H](C)N1CCOc2cc(O)ccc2C1 ZINC000671725568 487706388 /nfs/dbraw/zinc/70/63/88/487706388.db2.gz ZBWBVZMEIRJLDF-LBPRGKRZSA-N 1 0 245.322 2.389 20 30 BEEDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000396343430 265863699 /nfs/dbraw/zinc/86/36/99/265863699.db2.gz AODVYMREQNPASE-UHFFFAOYSA-N 1 0 236.315 2.444 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)O1 ZINC000398073734 267025591 /nfs/dbraw/zinc/02/55/91/267025591.db2.gz KSZZOKMYADWVPO-MFKMUULPSA-N 1 0 248.301 2.354 20 30 BEEDRO COC(=O)[C@H]1CCC[C@H]([NH2+]CC(C)(C)S)C1 ZINC001172606117 974885222 /nfs/dbraw/zinc/88/52/22/974885222.db2.gz QDAATSFAIAHJEW-UWVGGRQHSA-N 1 0 245.388 2.016 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1F ZINC000404162210 268073856 /nfs/dbraw/zinc/07/38/56/268073856.db2.gz ZZTVXMXSAOFNIF-ZDUSSCGKSA-N 1 0 248.301 2.356 20 30 BEEDRO C=CCCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667735083 487736796 /nfs/dbraw/zinc/73/67/96/487736796.db2.gz HKMZXQJHWYTDQS-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000649619849 487775186 /nfs/dbraw/zinc/77/51/86/487775186.db2.gz QNIYUQSJQBWBQW-OAHLLOKOSA-N 1 0 244.338 2.108 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000650321154 487787523 /nfs/dbraw/zinc/78/75/23/487787523.db2.gz XVBNWVMJIOKZDY-MELADBBJSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684202617 487790589 /nfs/dbraw/zinc/79/05/89/487790589.db2.gz WEIVWXOLJBVXJI-QWHCGFSZSA-N 1 0 248.374 2.259 20 30 BEEDRO C=C(C)CC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000681405746 487793850 /nfs/dbraw/zinc/79/38/50/487793850.db2.gz CRDYMOFTQVCAAM-CQSZACIVSA-N 1 0 244.338 2.037 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000653749557 487800470 /nfs/dbraw/zinc/80/04/70/487800470.db2.gz KJDYHIBCLJGKLV-HIFRSBDPSA-N 1 0 246.354 2.116 20 30 BEEDRO CC#CCC[N@H+](CCO)Cc1cccc(F)c1 ZINC000494252974 526305625 /nfs/dbraw/zinc/30/56/25/526305625.db2.gz CXSVBKBZRMWKDH-UHFFFAOYSA-N 1 0 235.302 2.033 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](COC)CC(C)C)C(C)C ZINC000308971805 527294251 /nfs/dbraw/zinc/29/42/51/527294251.db2.gz ZZSZPCSKQJMBHJ-QWHCGFSZSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000491724470 527214325 /nfs/dbraw/zinc/21/43/25/527214325.db2.gz BMKFTVWGCFQTCC-SECBINFHSA-N 1 0 209.239 2.418 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(CC)nc1)C(C)(C)C ZINC000491711945 527410597 /nfs/dbraw/zinc/41/05/97/527410597.db2.gz VXNDKRYAGKQBPO-LBPRGKRZSA-N 1 0 231.343 2.177 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](COC)C1 ZINC000677048238 487847858 /nfs/dbraw/zinc/84/78/58/487847858.db2.gz RJZIJCPCMWZXOE-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](COC)C1 ZINC000677048241 487847869 /nfs/dbraw/zinc/84/78/69/487847869.db2.gz RJZIJCPCMWZXOE-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215726164 591980892 /nfs/dbraw/zinc/98/08/92/591980892.db2.gz AFOZFAJRJPHYAF-VIFPVBQESA-N 1 0 248.164 2.442 20 30 BEEDRO OCCC[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000676607091 487879761 /nfs/dbraw/zinc/87/97/61/487879761.db2.gz UODFJYDKDVBBNW-UHFFFAOYSA-N 1 0 247.313 2.024 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000682031784 487884913 /nfs/dbraw/zinc/88/49/13/487884913.db2.gz VPEBIPCTHJIFQK-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000682031785 487885340 /nfs/dbraw/zinc/88/53/40/487885340.db2.gz VPEBIPCTHJIFQK-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682040461 487888003 /nfs/dbraw/zinc/88/80/03/487888003.db2.gz LAQLIXKFBSKPLC-SECBINFHSA-N 1 0 223.238 2.216 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000157009507 487888596 /nfs/dbraw/zinc/88/85/96/487888596.db2.gz YODFUTMMPCATNF-GVXVVHGQSA-N 1 0 232.327 2.013 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000677132664 487889046 /nfs/dbraw/zinc/88/90/46/487889046.db2.gz MALTYDIWZXSSLJ-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000677132757 487889700 /nfs/dbraw/zinc/88/97/00/487889700.db2.gz QBILLTKDXKSLPV-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO C=CCCn1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000653488239 487914770 /nfs/dbraw/zinc/91/47/70/487914770.db2.gz JGIHTEUZLCXRJS-CHWSQXEVSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCC1([NH2+][C@H]2CCO[C@H](C)C2)CCOCC1 ZINC000668552619 487923358 /nfs/dbraw/zinc/92/33/58/487923358.db2.gz PRMYITLILFWRIX-OLZOCXBDSA-N 1 0 239.359 2.269 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000682220377 487928091 /nfs/dbraw/zinc/92/80/91/487928091.db2.gz DHQHBXZWAULINQ-AVGNSLFASA-N 1 0 209.333 2.145 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(CO)cc1 ZINC000227473539 487931213 /nfs/dbraw/zinc/93/12/13/487931213.db2.gz UUKDXDLFRCTNIJ-UHFFFAOYSA-N 1 0 205.301 2.235 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)CCCC[NH+](C)C ZINC000682360577 487938120 /nfs/dbraw/zinc/93/81/20/487938120.db2.gz HXRKYEPERVQRKV-AWEZNQCLSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000246963400 322870037 /nfs/dbraw/zinc/87/00/37/322870037.db2.gz GHQRALHIGWVOGY-ZDEQEGDKSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1(COC)CCOCC1 ZINC000560565733 322989615 /nfs/dbraw/zinc/98/96/15/322989615.db2.gz ZVTXCOIBKSDETB-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000562496191 323021953 /nfs/dbraw/zinc/02/19/53/323021953.db2.gz IZYQWXNUPFDPQD-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO N#CCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000400914548 323023104 /nfs/dbraw/zinc/02/31/04/323023104.db2.gz GKTRKDLNGZQGSZ-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000248515624 323023890 /nfs/dbraw/zinc/02/38/90/323023890.db2.gz OJBMCGLBESWRKA-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1cc(C[NH2+]CCCCCO)ccc1C#N ZINC000562616021 323025814 /nfs/dbraw/zinc/02/58/14/323025814.db2.gz BUEJMEHAZKDRSZ-UHFFFAOYSA-N 1 0 232.327 2.119 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000562704084 323028339 /nfs/dbraw/zinc/02/83/39/323028339.db2.gz HQXLOITVRYJHBL-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000248654592 323029858 /nfs/dbraw/zinc/02/98/58/323029858.db2.gz AMNJEZFKNZPIGZ-KGLIPLIRSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCCCN1CC2CCC1(C[NH3+])CC2 ZINC000572734772 323040631 /nfs/dbraw/zinc/04/06/31/323040631.db2.gz JPCVOWCYDYJQMA-UHFFFAOYSA-N 1 0 208.349 2.156 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000570102835 323049963 /nfs/dbraw/zinc/04/99/63/323049963.db2.gz BCXJLQLQXNPLIA-YNEHKIRRSA-N 1 0 238.375 2.317 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C(C1CC1)C1CC1 ZINC000570563160 323063149 /nfs/dbraw/zinc/06/31/49/323063149.db2.gz YFOYDDYGLOWMPF-STQMWFEESA-N 1 0 221.344 2.356 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOc1cccc(OC)c1 ZINC000570864770 323073141 /nfs/dbraw/zinc/07/31/41/323073141.db2.gz ZIJVANVRBKQUEL-LBPRGKRZSA-N 1 0 248.326 2.356 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]CC#Cc1cccc(F)c1 ZINC000570922013 323074133 /nfs/dbraw/zinc/07/41/33/323074133.db2.gz FCKBRHJHIGHJNL-AWEZNQCLSA-N 1 0 249.329 2.174 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]CC#Cc1cccc(F)c1 ZINC000570922014 323074187 /nfs/dbraw/zinc/07/41/87/323074187.db2.gz FCKBRHJHIGHJNL-CQSZACIVSA-N 1 0 249.329 2.174 20 30 BEEDRO CC(C)[C@@H](CNCCC#N)[NH+]1CCCCCC1 ZINC000562983634 323077949 /nfs/dbraw/zinc/07/79/49/323077949.db2.gz AQZGQYUUCJFSDP-CQSZACIVSA-N 1 0 237.391 2.390 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC000563216172 323103063 /nfs/dbraw/zinc/10/30/63/323103063.db2.gz CEFUNPQZPVVTGO-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO COc1ccc(COCCC[NH2+]CCC#N)cc1 ZINC000571039874 323104366 /nfs/dbraw/zinc/10/43/66/323104366.db2.gz MRPSRDABTKYHDJ-UHFFFAOYSA-N 1 0 248.326 2.105 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1 ZINC000320349772 323107384 /nfs/dbraw/zinc/10/73/84/323107384.db2.gz CITVXJVHLFTZTO-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(C#N)cn1 ZINC000563349805 323119977 /nfs/dbraw/zinc/11/99/77/323119977.db2.gz IPZMSURPEROZBJ-QWRGUYRKSA-N 1 0 215.300 2.326 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCC12CC2 ZINC000563443516 323126822 /nfs/dbraw/zinc/12/68/22/323126822.db2.gz GXNBLZSVOLYXSR-AVGNSLFASA-N 1 0 221.344 2.500 20 30 BEEDRO CCCC[N@@H+]1CCCC[C@H]1CNCCC#N ZINC000571157762 323136895 /nfs/dbraw/zinc/13/68/95/323136895.db2.gz HMICUNXBKDEPIL-ZDUSSCGKSA-N 1 0 223.364 2.144 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)nc1 ZINC000571222166 323138448 /nfs/dbraw/zinc/13/84/48/323138448.db2.gz CPCOJVJEFVIYOZ-CYBMUJFWSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC#N ZINC000571397581 323143605 /nfs/dbraw/zinc/14/36/05/323143605.db2.gz JHHCSKMIACOVHN-JSGCOSHPSA-N 1 0 232.327 2.044 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000571547417 323148026 /nfs/dbraw/zinc/14/80/26/323148026.db2.gz KXLQTAKSYASPPL-KGLIPLIRSA-N 1 0 229.327 2.214 20 30 BEEDRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000571547419 323148044 /nfs/dbraw/zinc/14/80/44/323148044.db2.gz KXLQTAKSYASPPL-UONOGXRCSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CCN(Cc1nncn1C)CC1CCCCC1 ZINC000112202252 323166804 /nfs/dbraw/zinc/16/68/04/323166804.db2.gz IMCYVQYSSVHXQC-UHFFFAOYSA-N 1 0 248.374 2.383 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000305659080 323170955 /nfs/dbraw/zinc/17/09/55/323170955.db2.gz FPWHOSOXAPAOPV-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000563732872 323176657 /nfs/dbraw/zinc/17/66/57/323176657.db2.gz NFJYHEIBLKEAIM-ZDUSSCGKSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000308882521 323180642 /nfs/dbraw/zinc/18/06/42/323180642.db2.gz USHIKARQAUUUNP-YPMHNXCESA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@H]1C[C@@H](CO)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000398655607 323188563 /nfs/dbraw/zinc/18/85/63/323188563.db2.gz MMCPBSVWWRRLIY-QWHCGFSZSA-N 1 0 238.375 2.267 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccccc1 ZINC000677047375 487957649 /nfs/dbraw/zinc/95/76/49/487957649.db2.gz XSBXPKNGMOODSE-ZDUSSCGKSA-N 1 0 205.301 2.055 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399410629 323205848 /nfs/dbraw/zinc/20/58/48/323205848.db2.gz VYCPRTRYSFJCKW-RYUDHWBXSA-N 1 0 226.364 2.030 20 30 BEEDRO C=CCCCC[NH+]1CCC(CNC(C)=O)CC1 ZINC000571987307 323517903 /nfs/dbraw/zinc/51/79/03/323517903.db2.gz LAKMUICRJXDCLL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC[NH+]1CCC(C)(CO)CC1 ZINC000572353162 323605621 /nfs/dbraw/zinc/60/56/21/323605621.db2.gz OXKKZJVYUBLFBF-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](OCC)C1 ZINC000677048139 487959035 /nfs/dbraw/zinc/95/90/35/487959035.db2.gz NVFJFUUCNJSHAW-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000528008314 323747047 /nfs/dbraw/zinc/74/70/47/323747047.db2.gz SCIXEGJLRCJEGJ-BSCCGWMCSA-N 1 0 236.359 2.470 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@H]2CC)nn1 ZINC000653539645 487961560 /nfs/dbraw/zinc/96/15/60/487961560.db2.gz GUIVMJJNOSRGQQ-CYBMUJFWSA-N 1 0 234.347 2.229 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1C ZINC000121521949 324016211 /nfs/dbraw/zinc/01/62/11/324016211.db2.gz HUEMLZUJHWJLDI-CYBMUJFWSA-N 1 0 246.354 2.118 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1CCCCC1 ZINC000073598174 324114626 /nfs/dbraw/zinc/11/46/26/324114626.db2.gz GQGIJAOUKANESP-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@H]1O ZINC000250089401 324204132 /nfs/dbraw/zinc/20/41/32/324204132.db2.gz QCHOQEGFYJCTCY-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000126954230 324734053 /nfs/dbraw/zinc/73/40/53/324734053.db2.gz XNHWDMWPRYDOPI-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@H](C)[C@@H]2C)nn1 ZINC000653559365 487965875 /nfs/dbraw/zinc/96/58/75/487965875.db2.gz ZAAFQJQARAKABN-STQMWFEESA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000129341763 324938504 /nfs/dbraw/zinc/93/85/04/324938504.db2.gz CGGGFPAGDAIMMD-JTQLQIEISA-N 1 0 239.388 2.298 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000129607858 324966151 /nfs/dbraw/zinc/96/61/51/324966151.db2.gz DFJHTCIEGBLUPY-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000130769849 325086103 /nfs/dbraw/zinc/08/61/03/325086103.db2.gz YATVKQZWJYQFBR-TUAOUCFPSA-N 1 0 207.317 2.110 20 30 BEEDRO Cc1nnc([C@H](C)[NH2+]CCCC(C)(C)C#N)o1 ZINC000543544586 325093166 /nfs/dbraw/zinc/09/31/66/325093166.db2.gz FXRHQEIPJDKPKM-VIFPVBQESA-N 1 0 236.319 2.359 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000543592123 325095833 /nfs/dbraw/zinc/09/58/33/325095833.db2.gz RCFBZEHXGREKCS-QWHCGFSZSA-N 1 0 237.343 2.375 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000543592124 325095864 /nfs/dbraw/zinc/09/58/64/325095864.db2.gz RCFBZEHXGREKCS-STQMWFEESA-N 1 0 237.343 2.375 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000073986518 325220969 /nfs/dbraw/zinc/22/09/69/325220969.db2.gz FHIUOSGUAKBFEW-LLVKDONJSA-N 1 0 203.285 2.321 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@]1(C)CO ZINC000546811811 325313037 /nfs/dbraw/zinc/31/30/37/325313037.db2.gz KVRGFZKNHVMSAG-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO CC#CC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000075831272 325315523 /nfs/dbraw/zinc/31/55/23/325315523.db2.gz IOAJSFYOPCWFRV-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO CC#CCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000547318216 325339993 /nfs/dbraw/zinc/33/99/93/325339993.db2.gz IVKFIWCOQMNVHO-UHFFFAOYSA-N 1 0 248.395 2.279 20 30 BEEDRO COC1CCC([NH2+]CCCCC#N)CC1 ZINC000134876701 325380769 /nfs/dbraw/zinc/38/07/69/325380769.db2.gz JEYLPQPWXQCMKI-UHFFFAOYSA-N 1 0 210.321 2.227 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CC)CC1 ZINC000134912220 325382584 /nfs/dbraw/zinc/38/25/84/325382584.db2.gz DMIGLVVVCRPVIQ-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000135504900 325415460 /nfs/dbraw/zinc/41/54/60/325415460.db2.gz AVEVVLLTGPPXNO-LBPRGKRZSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1[C@@H](C)C[C@@H]1C ZINC000548754348 325479211 /nfs/dbraw/zinc/47/92/11/325479211.db2.gz YYFBRWAAAYPTAM-AVGNSLFASA-N 1 0 236.359 2.058 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248763123 325620906 /nfs/dbraw/zinc/62/09/06/325620906.db2.gz DWNRWDOJSDLNLC-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000249053839 325634649 /nfs/dbraw/zinc/63/46/49/325634649.db2.gz YEPXXVGVGRTYPW-MROQNXINSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000553294109 325685227 /nfs/dbraw/zinc/68/52/27/325685227.db2.gz YLBUWNBTODDDRX-CQSZACIVSA-N 1 0 244.338 2.296 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000554559590 325727549 /nfs/dbraw/zinc/72/75/49/325727549.db2.gz JDMKLJKHZPSDGC-CYBMUJFWSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000554724984 325734953 /nfs/dbraw/zinc/73/49/53/325734953.db2.gz GMUOBYPZCUVQOG-NWANDNLSSA-N 1 0 234.387 2.415 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000565906124 325973307 /nfs/dbraw/zinc/97/33/07/325973307.db2.gz XPPGOPNONCJMCJ-KBPBESRZSA-N 1 0 240.391 2.089 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]CCCSCC#N ZINC000565959102 325978775 /nfs/dbraw/zinc/97/87/75/325978775.db2.gz IQUJIMGZZUSJAF-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H](O)CCC(C)C ZINC000566109110 325996301 /nfs/dbraw/zinc/99/63/01/325996301.db2.gz LUWNKOYECGXRSF-LBPRGKRZSA-N 1 0 231.405 2.292 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1CCCC[C@@H]1O ZINC000566302235 326031214 /nfs/dbraw/zinc/03/12/14/326031214.db2.gz TZLKYIXBPXQTNY-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCCC[C@@H]1O ZINC000566302237 326031339 /nfs/dbraw/zinc/03/13/39/326031339.db2.gz TZLKYIXBPXQTNY-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO CCc1cc(CCC[NH2+][C@@H](CC)CC#N)on1 ZINC000566429944 326045666 /nfs/dbraw/zinc/04/56/66/326045666.db2.gz ZRISYFGJWRGMHL-NSHDSACASA-N 1 0 235.331 2.451 20 30 BEEDRO C=CCCCCCNC(=O)C[NH+](CC)CC ZINC000566464014 326051601 /nfs/dbraw/zinc/05/16/01/326051601.db2.gz MLYHNRPZKHKQEN-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000566558907 326063761 /nfs/dbraw/zinc/06/37/61/326063761.db2.gz ONNGRAUWVXMKEE-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCCCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566808016 326085704 /nfs/dbraw/zinc/08/57/04/326085704.db2.gz XURGEYNOWOFYIC-NEPJUHHUSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NCCC[NH2+]CC ZINC000567148695 326123392 /nfs/dbraw/zinc/12/33/92/326123392.db2.gz KDUQPFAQOBKATJ-GFCCVEGCSA-N 1 0 241.379 2.030 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000567171225 326129076 /nfs/dbraw/zinc/12/90/76/326129076.db2.gz ZPKHVXLFZOANMQ-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CC1CC[NH+](Cc2ccncc2)CC1 ZINC000155734479 326209927 /nfs/dbraw/zinc/20/99/27/326209927.db2.gz RTZHLUMNSQPJPL-UHFFFAOYSA-N 1 0 202.301 2.480 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000311229972 326214150 /nfs/dbraw/zinc/21/41/50/326214150.db2.gz ZIIQMZGHADYYPB-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO C[C@H](O)[C@H](C)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000567688400 326245333 /nfs/dbraw/zinc/24/53/33/326245333.db2.gz PLBSJQMIPIPFEE-OBJOEFQTSA-N 1 0 232.327 2.390 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000568106021 326309254 /nfs/dbraw/zinc/30/92/54/326309254.db2.gz FQAQJDQORNMQTC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000568152561 326313689 /nfs/dbraw/zinc/31/36/89/326313689.db2.gz ADYUPFPHEFQWGP-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000568152562 326313690 /nfs/dbraw/zinc/31/36/90/326313690.db2.gz ADYUPFPHEFQWGP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO O[C@@H]1CCCC[C@H]1[NH2+]CC#Cc1cccc(F)c1 ZINC000568256082 326335977 /nfs/dbraw/zinc/33/59/77/326335977.db2.gz BJPMZZKJHUTLQN-HUUCEWRRSA-N 1 0 247.313 2.070 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cscn1 ZINC000568500116 326359645 /nfs/dbraw/zinc/35/96/45/326359645.db2.gz CXCDNXUSEUPCBY-SCVCMEIPSA-N 1 0 238.356 2.385 20 30 BEEDRO CC(F)(F)CC[NH2+]C[C@H](C#N)CCC#N ZINC000568742164 326374499 /nfs/dbraw/zinc/37/44/99/326374499.db2.gz LOPBKCJXJOYJDQ-VIFPVBQESA-N 1 0 215.247 2.065 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]([NH2+]CCC#N)CCO1 ZINC000569096502 326387809 /nfs/dbraw/zinc/38/78/09/326387809.db2.gz DHMGVSODTRUCIE-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000569070008 326388511 /nfs/dbraw/zinc/38/85/11/326388511.db2.gz QBXGCARMGXDTFB-CYBMUJFWSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CCC1(C[NH2+][C@@H](C)[C@@H](C)O)CCCC1 ZINC000569096344 326389671 /nfs/dbraw/zinc/38/96/71/326389671.db2.gz ZPVUPFHJSRKCKV-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000572753014 326408664 /nfs/dbraw/zinc/40/86/64/326408664.db2.gz TUODZFRFZFCMNH-CQSZACIVSA-N 1 0 243.354 2.406 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000573193878 326434149 /nfs/dbraw/zinc/43/41/49/326434149.db2.gz VETGDFNENXLXDD-UHFFFAOYSA-N 1 0 244.342 2.402 20 30 BEEDRO COCC#CC[N@H+](Cc1cccs1)C1CC1 ZINC000677132935 487978995 /nfs/dbraw/zinc/97/89/95/487978995.db2.gz ZZWSMQBENMCZMQ-UHFFFAOYSA-N 1 0 235.352 2.362 20 30 BEEDRO COCC#CC[N@H+](C)[C@H]1CCc2ccccc21 ZINC000677133292 487980182 /nfs/dbraw/zinc/98/01/82/487980182.db2.gz QFMGZEICMASOGM-HNNXBMFYSA-N 1 0 229.323 2.256 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000677133268 487980257 /nfs/dbraw/zinc/98/02/57/487980257.db2.gz PJPSXDJXQVYXLY-STQMWFEESA-N 1 0 231.343 2.391 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000682537349 487981535 /nfs/dbraw/zinc/98/15/35/487981535.db2.gz KVHQLAWHBCDHLQ-SNVBAGLBSA-N 1 0 249.276 2.299 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000309562172 487986484 /nfs/dbraw/zinc/98/64/84/487986484.db2.gz JSXHJMQHUOIVBQ-NOZJJQNGSA-N 1 0 237.730 2.464 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172745648 974918839 /nfs/dbraw/zinc/91/88/39/974918839.db2.gz HNOFXXMEYKSHDC-LLVKDONJSA-N 1 0 213.321 2.272 20 30 BEEDRO CCC#C[C@H](C)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000640140684 488015616 /nfs/dbraw/zinc/01/56/16/488015616.db2.gz HRCDDVCALPTBIA-UONOGXRCSA-N 1 0 222.376 2.060 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCO[C@](C)(CC)C1 ZINC000682369024 488016064 /nfs/dbraw/zinc/01/60/64/488016064.db2.gz OBSDCIHBODQYBQ-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000668619779 488020182 /nfs/dbraw/zinc/02/01/82/488020182.db2.gz QPYYELBHHSUBLQ-LLVKDONJSA-N 1 0 223.360 2.482 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(CC#N)cc1 ZINC000490934865 488027882 /nfs/dbraw/zinc/02/78/82/488027882.db2.gz LAQIUMAUJZNHOS-UHFFFAOYSA-N 1 0 212.296 2.208 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCO[C@H](CC)C1 ZINC000490934450 488027911 /nfs/dbraw/zinc/02/79/11/488027911.db2.gz IDTSCHRFRJPGBA-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc(C)cc1 ZINC000677477009 488047067 /nfs/dbraw/zinc/04/70/67/488047067.db2.gz MKEWDRDZNZSUQA-UHFFFAOYSA-N 1 0 217.312 2.077 20 30 BEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCCCC#N ZINC001172747594 974922370 /nfs/dbraw/zinc/92/23/70/974922370.db2.gz ZGAFVDJNFXSEHB-GFCCVEGCSA-N 1 0 240.347 2.390 20 30 BEEDRO C=CC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667623998 488062044 /nfs/dbraw/zinc/06/20/44/488062044.db2.gz KIDGYAGMWBCFAE-UHFFFAOYSA-N 1 0 231.343 2.227 20 30 BEEDRO C=CCC(CC=C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236653770 488081134 /nfs/dbraw/zinc/08/11/34/488081134.db2.gz QASDRUMJWOSABG-CYBMUJFWSA-N 1 0 236.359 2.013 20 30 BEEDRO C[C@H]1COCCC[N@@H+]1CC#Cc1ccccc1 ZINC000683018656 488095204 /nfs/dbraw/zinc/09/52/04/488095204.db2.gz VBEJZBHTUWEYFJ-AWEZNQCLSA-N 1 0 229.323 2.149 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC(C)(C)[NH3+] ZINC000237043916 488102021 /nfs/dbraw/zinc/10/20/21/488102021.db2.gz PSQIHESVDKRIQA-UHFFFAOYSA-N 1 0 226.364 2.319 20 30 BEEDRO CCC#C[C@H](C)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000683098420 488107862 /nfs/dbraw/zinc/10/78/62/488107862.db2.gz HRCDDVCALPTBIA-KBPBESRZSA-N 1 0 222.376 2.060 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCc2ccccc2CC1 ZINC000677481001 488108371 /nfs/dbraw/zinc/10/83/71/488108371.db2.gz ZEVTVNOAYGTTJR-HNNXBMFYSA-N 1 0 231.339 2.024 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662029864 488113751 /nfs/dbraw/zinc/11/37/51/488113751.db2.gz CHWSGKFAHIDNOE-CVEARBPZSA-N 1 0 241.334 2.006 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000677817116 488130383 /nfs/dbraw/zinc/13/03/83/488130383.db2.gz HNLQCTZYXGUWFO-MRXNPFEDSA-N 1 0 243.350 2.126 20 30 BEEDRO C=CCN(CC#CCOC)Cc1cccs1 ZINC000677817604 488131399 /nfs/dbraw/zinc/13/13/99/488131399.db2.gz RKRIDEARCMQLJF-UHFFFAOYSA-N 1 0 235.352 2.386 20 30 BEEDRO CC[N@@H+](CC#CCOC)CCc1ccccc1 ZINC000677818445 488132690 /nfs/dbraw/zinc/13/26/90/488132690.db2.gz NYOGOMZAXNJUKZ-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000680130379 487538583 /nfs/dbraw/zinc/53/85/83/487538583.db2.gz GSJVUPYGUJOVCY-GHMZBOCLSA-N 1 0 240.372 2.115 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000168609333 487530323 /nfs/dbraw/zinc/53/03/23/487530323.db2.gz QHTBPGBVIXQCQE-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000680255513 487553343 /nfs/dbraw/zinc/55/33/43/487553343.db2.gz NNXXVTOFYDARNG-UHFFFAOYSA-N 1 0 219.288 2.052 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCCC)C1 ZINC000661378483 487555555 /nfs/dbraw/zinc/55/55/55/487555555.db2.gz HIUJIBLTOUTVOD-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000161968672 487531443 /nfs/dbraw/zinc/53/14/43/487531443.db2.gz JHTARLCOBPKXCI-WCQYABFASA-N 1 0 232.327 2.015 20 30 BEEDRO COCC#CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000677820207 488137747 /nfs/dbraw/zinc/13/77/47/488137747.db2.gz JCVZSHXMIBWKMX-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccsc1 ZINC000061363163 487473270 /nfs/dbraw/zinc/47/32/70/487473270.db2.gz UALVRBPXHUOFEY-NXEZZACHSA-N 1 0 238.356 2.089 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000231801564 487475243 /nfs/dbraw/zinc/47/52/43/487475243.db2.gz CYNUQQWYEVFLHN-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2cccnc21 ZINC000684961048 487476038 /nfs/dbraw/zinc/47/60/38/487476038.db2.gz XNQLYCAMBCVITC-OCCSQVGLSA-N 1 0 246.354 2.233 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000679863273 487477365 /nfs/dbraw/zinc/47/73/65/487477365.db2.gz OHYIRQLBPZUFOC-MJBXVCDLSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161269261 487487043 /nfs/dbraw/zinc/48/70/43/487487043.db2.gz XGHCVZZCZCHDRF-QWHCGFSZSA-N 1 0 236.359 2.141 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000685007391 487487851 /nfs/dbraw/zinc/48/78/51/487487851.db2.gz ONHNIAXWSKVDCN-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO CO[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267679151 487501313 /nfs/dbraw/zinc/50/13/13/487501313.db2.gz QARJIPKYMWFOJA-AWEZNQCLSA-N 1 0 249.741 2.412 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000677817039 487505886 /nfs/dbraw/zinc/50/58/86/487505886.db2.gz FYHOMRMTVHSWEC-CYBMUJFWSA-N 1 0 247.313 2.265 20 30 BEEDRO COCC#CC[N@H+](C)C[C@H](C)c1ccccc1 ZINC000677818583 487513223 /nfs/dbraw/zinc/51/32/23/487513223.db2.gz RZECWFSCBFLOFG-AWEZNQCLSA-N 1 0 231.339 2.372 20 30 BEEDRO CCC1(C)CC[NH+](CC#CCOC)CC1 ZINC000677818473 487508814 /nfs/dbraw/zinc/50/88/14/487508814.db2.gz PCOJGPNTMVSWAC-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000168556386 487519362 /nfs/dbraw/zinc/51/93/62/487519362.db2.gz IENODYWHVNHFBB-UHFFFAOYSA-N 1 0 221.348 2.383 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000168565900 487521598 /nfs/dbraw/zinc/52/15/98/487521598.db2.gz YZPFUAASTYUHLZ-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccsc1 ZINC000677951250 488164576 /nfs/dbraw/zinc/16/45/76/488164576.db2.gz LYCHDFMYOPWIDV-NSHDSACASA-N 1 0 211.330 2.117 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nccn1C ZINC000167249881 490091762 /nfs/dbraw/zinc/09/17/62/490091762.db2.gz UTAHFXDBXVMEHR-MNOVXSKESA-N 1 0 207.321 2.110 20 30 BEEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335182306 487809915 /nfs/dbraw/zinc/80/99/15/487809915.db2.gz TUJKXBRMOKNWLA-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000335182304 487809958 /nfs/dbraw/zinc/80/99/58/487809958.db2.gz TUJKXBRMOKNWLA-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000677477204 488102890 /nfs/dbraw/zinc/10/28/90/488102890.db2.gz ACQSLOGCSZEHAL-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378890055 488109964 /nfs/dbraw/zinc/10/99/64/488109964.db2.gz PKBVDIQMSTUGLR-AGIUHOORSA-N 1 0 209.333 2.357 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000683224205 488134420 /nfs/dbraw/zinc/13/44/20/488134420.db2.gz FCAILGRZFHPLMA-DGCLKSJQSA-N 1 0 229.323 2.251 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000677820157 488135376 /nfs/dbraw/zinc/13/53/76/488135376.db2.gz IDSACWYBOPRDCA-DZGCQCFKSA-N 1 0 229.323 2.329 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)n1C ZINC000657862882 488154728 /nfs/dbraw/zinc/15/47/28/488154728.db2.gz RLICGFWUCAZJFD-CHWSQXEVSA-N 1 0 248.374 2.348 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)O ZINC000657878654 488159790 /nfs/dbraw/zinc/15/97/90/488159790.db2.gz HMGXADZESXUHBX-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](C)O ZINC000657880340 488161537 /nfs/dbraw/zinc/16/15/37/488161537.db2.gz ADBOIENVQDQIMG-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000657927329 488184756 /nfs/dbraw/zinc/18/47/56/488184756.db2.gz PRAWJAIOCNHXMB-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC(CC)(CC)C1 ZINC000678050372 488187795 /nfs/dbraw/zinc/18/77/95/488187795.db2.gz YYCCOTPAGCWSPC-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000678154197 488209336 /nfs/dbraw/zinc/20/93/36/488209336.db2.gz NDKPPWPWZNSCET-UHFFFAOYSA-N 1 0 207.321 2.299 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1cnn(C)c1 ZINC000683793190 488223896 /nfs/dbraw/zinc/22/38/96/488223896.db2.gz STTGRRSIHYDQHN-CQSZACIVSA-N 1 0 233.359 2.393 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000684209841 488277574 /nfs/dbraw/zinc/27/75/74/488277574.db2.gz KDWYBSJEKOYXGF-AEJSXWLSSA-N 1 0 237.265 2.196 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000678735689 488279598 /nfs/dbraw/zinc/27/95/98/488279598.db2.gz WEEQBYRYLFKLHH-PWSUYJOCSA-N 1 0 249.310 2.003 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000678735687 488279721 /nfs/dbraw/zinc/27/97/21/488279721.db2.gz WEEQBYRYLFKLHH-CMPLNLGQSA-N 1 0 249.310 2.003 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000678779063 488282306 /nfs/dbraw/zinc/28/23/06/488282306.db2.gz YHVXBXCUKVEFBE-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)CCc1ccccn1 ZINC000679219660 488318460 /nfs/dbraw/zinc/31/84/60/488318460.db2.gz RLCCPIUQLBSKDY-ZDUSSCGKSA-N 1 0 216.328 2.358 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000679359149 488345184 /nfs/dbraw/zinc/34/51/84/488345184.db2.gz KUCHNGDHUNKJNT-UHFFFAOYSA-N 1 0 246.358 2.085 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)C1CCC1 ZINC000491792957 490119484 /nfs/dbraw/zinc/11/94/84/490119484.db2.gz IOYBAQOEYAPTCB-JSGCOSHPSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCNC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000665946381 490239166 /nfs/dbraw/zinc/23/91/66/490239166.db2.gz WWMXCCNFXITEFE-NSHDSACASA-N 1 0 248.330 2.222 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(C#N)s1 ZINC000336697461 490269507 /nfs/dbraw/zinc/26/95/07/490269507.db2.gz ZEDGYLOSASNFTH-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000677047866 490324688 /nfs/dbraw/zinc/32/46/88/490324688.db2.gz IIUYNTVDKSOHMN-KBPBESRZSA-N 1 0 245.370 2.086 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](C)CO ZINC000120523371 490324841 /nfs/dbraw/zinc/32/48/41/490324841.db2.gz JELCPRRZEWAOFG-CYBMUJFWSA-N 1 0 219.328 2.303 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccccc1OCC ZINC000305505602 490461859 /nfs/dbraw/zinc/46/18/59/490461859.db2.gz ZMVNOHSVFDTFGP-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000651807969 491075737 /nfs/dbraw/zinc/07/57/37/491075737.db2.gz ANUDONGSDDUCIV-KGYLQXTDSA-N 1 0 209.333 2.092 20 30 BEEDRO CO[C@H]1CCC[N@H+](C[C@H](C)CCC#N)CC1 ZINC000602604185 491087613 /nfs/dbraw/zinc/08/76/13/491087613.db2.gz YCCBOUUWTSMFGB-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CC)Cc1ccoc1 ZINC000126377399 491131869 /nfs/dbraw/zinc/13/18/69/491131869.db2.gz XNAHSFCJLNHOIP-ZDUSSCGKSA-N 1 0 223.316 2.429 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cnccc1C ZINC000309374050 491147605 /nfs/dbraw/zinc/14/76/05/491147605.db2.gz CJYWCZNTCUTWBL-LBPRGKRZSA-N 1 0 220.316 2.243 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000309606880 491152309 /nfs/dbraw/zinc/15/23/09/491152309.db2.gz YWVXRBAIZLZWIE-LLVKDONJSA-N 1 0 222.336 2.040 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890881132 582584788 /nfs/dbraw/zinc/58/47/88/582584788.db2.gz MGXSAXSSFIQCDK-UHFFFAOYSA-N 1 0 240.391 2.245 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1cn[nH]c1 ZINC000494673559 533917619 /nfs/dbraw/zinc/91/76/19/533917619.db2.gz LPQQPQGNRHMAPG-NSHDSACASA-N 1 0 240.310 2.327 20 30 BEEDRO CC[N@H+](CC(C)(C)CCC#N)[C@@H]1CCOC1 ZINC000361237599 535784371 /nfs/dbraw/zinc/78/43/71/535784371.db2.gz LGEDWZXQQAAWLZ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000494222402 534187082 /nfs/dbraw/zinc/18/70/82/534187082.db2.gz FVQWKJMUGHOHLE-SWLSCSKDSA-N 1 0 247.313 2.334 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC)cc1C ZINC000891805200 582724574 /nfs/dbraw/zinc/72/45/74/582724574.db2.gz FETRUTYUBZPZFH-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=CCCCNC(=O)N(C)CCCCCC[NH3+] ZINC000891864363 582731133 /nfs/dbraw/zinc/73/11/33/582731133.db2.gz WZGHQQFYRPMAGB-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CCC(F)(F)F ZINC000336756327 534316975 /nfs/dbraw/zinc/31/69/75/534316975.db2.gz JHWYCPDKSQGTHI-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000282782321 534317052 /nfs/dbraw/zinc/31/70/52/534317052.db2.gz PQMKLJHTUXNEIR-JQWIXIFHSA-N 1 0 223.316 2.484 20 30 BEEDRO C=CC[C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353783298 534330388 /nfs/dbraw/zinc/33/03/88/534330388.db2.gz AVVABARLWSUZKH-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO COc1cc(C[NH2+]CC2CCC2)ccc1C#N ZINC000234907360 518133523 /nfs/dbraw/zinc/13/35/23/518133523.db2.gz ODRMMVYOSATQLF-UHFFFAOYSA-N 1 0 230.311 2.457 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000346194946 534343415 /nfs/dbraw/zinc/34/34/15/534343415.db2.gz PNTBTZXLSSIESW-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261555854 534343742 /nfs/dbraw/zinc/34/37/42/534343742.db2.gz QCZCKIQLQQKWAH-WCQYABFASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000132453615 534350406 /nfs/dbraw/zinc/35/04/06/534350406.db2.gz CUHOUVSABUGNCL-JTQLQIEISA-N 1 0 232.318 2.270 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000362816042 534347015 /nfs/dbraw/zinc/34/70/15/534347015.db2.gz XXAGMCHWTFLYQE-LBPRGKRZSA-N 1 0 246.354 2.443 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCOC[C@H]1OCC ZINC000354986288 534358641 /nfs/dbraw/zinc/35/86/41/534358641.db2.gz WKNNUKBQLPBVCP-XDQVBPFNSA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000358245421 534359151 /nfs/dbraw/zinc/35/91/51/534359151.db2.gz IPMMTBWPPXBNLF-RVMXOQNASA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000353605894 534359511 /nfs/dbraw/zinc/35/95/11/534359511.db2.gz CKPLJIIHUKGBHQ-SRVKXCTJSA-N 1 0 233.359 2.457 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000353605892 534360065 /nfs/dbraw/zinc/36/00/65/534360065.db2.gz CKPLJIIHUKGBHQ-SDDRHHMPSA-N 1 0 233.359 2.457 20 30 BEEDRO C=C(CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000287372616 534368125 /nfs/dbraw/zinc/36/81/25/534368125.db2.gz ZGQDXOIQEUVLBC-UHFFFAOYSA-N 1 0 231.343 2.403 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000351251419 534370012 /nfs/dbraw/zinc/37/00/12/534370012.db2.gz LNFWFPBDBPVGNN-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000362594305 534374291 /nfs/dbraw/zinc/37/42/91/534374291.db2.gz RVTXTAVCOBYRMN-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C(CC)C[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000358510807 534377254 /nfs/dbraw/zinc/37/72/54/534377254.db2.gz PXNVJMLXSBHUKY-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccnn1C ZINC000281573532 534380445 /nfs/dbraw/zinc/38/04/45/534380445.db2.gz KPWURAABQDTVOC-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1nccn1C ZINC000336731749 534380751 /nfs/dbraw/zinc/38/07/51/534380751.db2.gz LASXXRZZMIJELM-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=C(CC)C[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000358509127 534381165 /nfs/dbraw/zinc/38/11/65/534381165.db2.gz NLWABBIPGSGCEC-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000358504332 534386608 /nfs/dbraw/zinc/38/66/08/534386608.db2.gz FUMQFLIHAZBEBC-CYBMUJFWSA-N 1 0 219.332 2.486 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000358506190 534388230 /nfs/dbraw/zinc/38/82/30/534388230.db2.gz IVKBIQFLYLPTEI-SNVBAGLBSA-N 1 0 237.265 2.342 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2ccccc2O)CC1 ZINC000358508873 534390670 /nfs/dbraw/zinc/39/06/70/534390670.db2.gz MMBPFNVVARWQTA-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2ccccn2)CC1 ZINC000358624676 534391528 /nfs/dbraw/zinc/39/15/28/534391528.db2.gz NPUYNNNNFRPHSF-UHFFFAOYSA-N 1 0 231.343 2.170 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C/C=C\c1ccccc1 ZINC000341288248 534395591 /nfs/dbraw/zinc/39/55/91/534395591.db2.gz ZXJBZRCYHMHLGS-MLBQELRYSA-N 1 0 231.339 2.474 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000355379989 534396323 /nfs/dbraw/zinc/39/63/23/534396323.db2.gz NDEDHOQEUFHBLH-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000348141536 534396873 /nfs/dbraw/zinc/39/68/73/534396873.db2.gz YQDFLADZUYFVNM-ZDUSSCGKSA-N 1 0 249.354 2.283 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C)ccc1OC ZINC000341310540 534396897 /nfs/dbraw/zinc/39/68/97/534396897.db2.gz YSSKZPKJNLFQOG-ZDUSSCGKSA-N 1 0 249.354 2.278 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000341394995 534397802 /nfs/dbraw/zinc/39/78/02/534397802.db2.gz YOAPZYYLNIERPK-ZDUSSCGKSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1N(C)C ZINC000341316036 534398046 /nfs/dbraw/zinc/39/80/46/534398046.db2.gz VAIDIJDGTPFPSO-ZDUSSCGKSA-N 1 0 248.370 2.027 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000341273815 534398680 /nfs/dbraw/zinc/39/86/80/534398680.db2.gz OEFBXMBVLXTVBS-JTQLQIEISA-N 1 0 241.281 2.239 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CC1CC1 ZINC000449548517 519081975 /nfs/dbraw/zinc/08/19/75/519081975.db2.gz OCGQVALMZATZKZ-RTXFEEFZSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000342728624 534401345 /nfs/dbraw/zinc/40/13/45/534401345.db2.gz XEQDWXVVDICTKO-AVGNSLFASA-N 1 0 237.343 2.226 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000335700051 534402134 /nfs/dbraw/zinc/40/21/34/534402134.db2.gz SKHHMIWYBVQDMI-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348205378 534402301 /nfs/dbraw/zinc/40/23/01/534402301.db2.gz KBOKCBVTELAHAW-AAEUAGOBSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337430668 534402640 /nfs/dbraw/zinc/40/26/40/534402640.db2.gz FTBRGPDIGLYDJG-YPMHNXCESA-N 1 0 225.332 2.084 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@](C)(C(=O)OC)C1 ZINC000337430665 534403115 /nfs/dbraw/zinc/40/31/15/534403115.db2.gz FTBRGPDIGLYDJG-WCQYABFASA-N 1 0 225.332 2.084 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cn(C)nc1C ZINC000309156974 534420538 /nfs/dbraw/zinc/42/05/38/534420538.db2.gz XQBLMCBXHMPBPZ-SNVBAGLBSA-N 1 0 207.321 2.345 20 30 BEEDRO C=C(C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000262241291 534427201 /nfs/dbraw/zinc/42/72/01/534427201.db2.gz AEQTVLCJQNFWTK-UHFFFAOYSA-N 1 0 231.343 2.179 20 30 BEEDRO C=C(CNC(=O)C[N@@H+](C)CCC)c1ccccc1 ZINC000360209977 534429411 /nfs/dbraw/zinc/42/94/11/534429411.db2.gz UASAVVIOEVSYMX-UHFFFAOYSA-N 1 0 246.354 2.158 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374395078 534439164 /nfs/dbraw/zinc/43/91/64/534439164.db2.gz RXOSEQXDEJRNKK-GHMZBOCLSA-N 1 0 215.724 2.097 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]([NH3+])CC ZINC000111197910 519964332 /nfs/dbraw/zinc/96/43/32/519964332.db2.gz RXPCVIVVDDGXEG-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000362615979 534508321 /nfs/dbraw/zinc/50/83/21/534508321.db2.gz VLFUYVVXLXASAI-SECBINFHSA-N 1 0 238.356 2.114 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000339799428 534536362 /nfs/dbraw/zinc/53/63/62/534536362.db2.gz XVTXJDBJVSVFHC-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(c2ccccc2F)C1 ZINC000353577749 534539466 /nfs/dbraw/zinc/53/94/66/534539466.db2.gz QIPKJGOUQIOSTM-CXQJBGSLSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000335732897 534558737 /nfs/dbraw/zinc/55/87/37/534558737.db2.gz MKTRZYDVXKEHRH-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC(CC=C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000292399588 534566932 /nfs/dbraw/zinc/56/69/32/534566932.db2.gz OFDBZCNZNPUQQL-LBPRGKRZSA-N 1 0 238.375 2.069 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NCCC#N)cc1 ZINC000849023476 582829919 /nfs/dbraw/zinc/82/99/19/582829919.db2.gz YINFIPTYRNXIHI-UHFFFAOYSA-N 1 0 216.288 2.099 20 30 BEEDRO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000356285350 534605003 /nfs/dbraw/zinc/60/50/03/534605003.db2.gz QNMYVOFHWTWPJN-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172796718 974953683 /nfs/dbraw/zinc/95/36/83/974953683.db2.gz OAQCHIFREMFMKS-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000335154558 534607397 /nfs/dbraw/zinc/60/73/97/534607397.db2.gz IPIMTWZEKUBMJR-NEPJUHHUSA-N 1 0 207.317 2.252 20 30 BEEDRO C=CCCC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000338673216 534611958 /nfs/dbraw/zinc/61/19/58/534611958.db2.gz AOYIENCMQNIRPQ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000338675620 534619504 /nfs/dbraw/zinc/61/95/04/534619504.db2.gz ULOFWINCZMRRTK-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@H](C)Nc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000362560614 534634012 /nfs/dbraw/zinc/63/40/12/534634012.db2.gz NLBFGQDXKAIJES-JTQLQIEISA-N 1 0 234.347 2.074 20 30 BEEDRO C=CCCC1(C(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC000341307160 534637648 /nfs/dbraw/zinc/63/76/48/534637648.db2.gz FTRAWKDRYJIAJA-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000178295096 534647228 /nfs/dbraw/zinc/64/72/28/534647228.db2.gz NURJKCMBOJWWAO-LBPRGKRZSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175764443 534647351 /nfs/dbraw/zinc/64/73/51/534647351.db2.gz AQGAFPCZVRUJPM-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175764462 534647446 /nfs/dbraw/zinc/64/74/46/534647446.db2.gz AQGAFPCZVRUJPM-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000338942323 534665893 /nfs/dbraw/zinc/66/58/93/534665893.db2.gz LAVQNHKKKZVLDH-VIFPVBQESA-N 1 0 237.299 2.293 20 30 BEEDRO C=CCCCC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000179212349 534667005 /nfs/dbraw/zinc/66/70/05/534667005.db2.gz VPPLZXVOSYWGJY-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353402099 534669219 /nfs/dbraw/zinc/66/92/19/534669219.db2.gz JQQANVWWCWTGHN-VHSXEESVSA-N 1 0 246.310 2.243 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000309022759 534682841 /nfs/dbraw/zinc/68/28/41/534682841.db2.gz YGLHFDRULWLHAH-OLZOCXBDSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H](CO)Nc1cc[nH+]c2cc(F)ccc12 ZINC000357608411 534684438 /nfs/dbraw/zinc/68/44/38/534684438.db2.gz RMBRCHUPDXBFAW-SNVBAGLBSA-N 1 0 232.258 2.333 20 30 BEEDRO C=CCCCC[NH2+]C1CCN(CCOC)CC1 ZINC000349353832 534691500 /nfs/dbraw/zinc/69/15/00/534691500.db2.gz KCYQRXUBMCYNNS-UHFFFAOYSA-N 1 0 240.391 2.043 20 30 BEEDRO CN1CCC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000336217403 536375249 /nfs/dbraw/zinc/37/52/49/536375249.db2.gz FSWLUWHSPJHOEG-ROKHWSDSSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CC1CCOCC1 ZINC000335732898 534695544 /nfs/dbraw/zinc/69/55/44/534695544.db2.gz MKTRZYDVXKEHRH-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1[nH]ncc1C ZINC000336012172 534697581 /nfs/dbraw/zinc/69/75/81/534697581.db2.gz XEEVQLCBSNPWGI-NSHDSACASA-N 1 0 205.305 2.259 20 30 BEEDRO C=CCCC[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000338546330 534707344 /nfs/dbraw/zinc/70/73/44/534707344.db2.gz GAXJKAVAOLXPQX-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000368938476 534717613 /nfs/dbraw/zinc/71/76/13/534717613.db2.gz MYXAIQBSYNDDPT-OLZOCXBDSA-N 1 0 237.343 2.023 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000372168136 534718925 /nfs/dbraw/zinc/71/89/25/534718925.db2.gz ZYRZJJQMACVDCY-ZDUSSCGKSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000369407132 534723365 /nfs/dbraw/zinc/72/33/65/534723365.db2.gz LNGJHQCAUKYIEG-BFHYXJOUSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289659131 534733411 /nfs/dbraw/zinc/73/34/11/534733411.db2.gz LWGLHZVFTONXIP-VIFPVBQESA-N 1 0 226.345 2.252 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)c1ccsc1 ZINC000308515490 534736181 /nfs/dbraw/zinc/73/61/81/534736181.db2.gz MYRKJGKHAFHRHZ-LLVKDONJSA-N 1 0 211.330 2.337 20 30 BEEDRO C=CCCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000371375314 534736240 /nfs/dbraw/zinc/73/62/40/534736240.db2.gz NOINZHHXPVNLFF-HNNXBMFYSA-N 1 0 231.339 2.376 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000341138003 534755271 /nfs/dbraw/zinc/75/52/71/534755271.db2.gz PGYPMAUZNNGABX-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000356449650 534756022 /nfs/dbraw/zinc/75/60/22/534756022.db2.gz WVELIRVRHVQNLU-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000340877444 534756401 /nfs/dbraw/zinc/75/64/01/534756401.db2.gz BLZCGNMYSMHSRV-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@H](O)[C@H](CC)C1 ZINC000341142985 534757492 /nfs/dbraw/zinc/75/74/92/534757492.db2.gz YHXZLRRTFQUVKN-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000341142982 534758573 /nfs/dbraw/zinc/75/85/73/534758573.db2.gz YHXZLRRTFQUVKN-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](CC)Cn1cncn1 ZINC000340538342 534761485 /nfs/dbraw/zinc/76/14/85/534761485.db2.gz VZQVWHLBVNUQHB-STQMWFEESA-N 1 0 236.363 2.391 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)CC1CCCC1 ZINC000355288981 534769193 /nfs/dbraw/zinc/76/91/93/534769193.db2.gz ZYJMBBKCQTWTFX-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000337492561 534778886 /nfs/dbraw/zinc/77/88/86/534778886.db2.gz XCLCJPBSZSVBEZ-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000225605895 534777549 /nfs/dbraw/zinc/77/75/49/534777549.db2.gz HIBVDBDJNPFKAF-ZIAGYGMSSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000181768453 534777868 /nfs/dbraw/zinc/77/78/68/534777868.db2.gz UZORZSAJDHERMA-GFCCVEGCSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000309450079 534778449 /nfs/dbraw/zinc/77/84/49/534778449.db2.gz MIAQIGCGUHRQHN-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@@H](O)CC)C1CC1 ZINC000121702388 534795856 /nfs/dbraw/zinc/79/58/56/534795856.db2.gz QQUJXHGSSAPIKD-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000125296336 534798522 /nfs/dbraw/zinc/79/85/22/534798522.db2.gz PBVSKSNMYOECPJ-NXEZZACHSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCOC)C(C)(C)C ZINC000338361831 534799574 /nfs/dbraw/zinc/79/95/74/534799574.db2.gz RMRPGIFVGARLHC-OLZOCXBDSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCOC)C(C)(C)C ZINC000338361833 534806520 /nfs/dbraw/zinc/80/65/20/534806520.db2.gz RMRPGIFVGARLHC-STQMWFEESA-N 1 0 243.391 2.354 20 30 BEEDRO C=CCN(Cc1cccs1)CC(C)(C)[NH3+] ZINC000261571800 534841039 /nfs/dbraw/zinc/84/10/39/534841039.db2.gz HWHXGYLILKXNNF-UHFFFAOYSA-N 1 0 224.373 2.473 20 30 BEEDRO C=CCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261739307 534849798 /nfs/dbraw/zinc/84/97/98/534849798.db2.gz KLKCLGRBMJUFMB-CYBMUJFWSA-N 1 0 236.746 2.472 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000348029545 534873020 /nfs/dbraw/zinc/87/30/20/534873020.db2.gz FQNIPOFONKKYLD-HNNXBMFYSA-N 1 0 249.354 2.245 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1cnc(C)s1 ZINC000347968589 534873146 /nfs/dbraw/zinc/87/31/46/534873146.db2.gz KOBGYFBAEXRPKH-UHFFFAOYSA-N 1 0 240.372 2.476 20 30 BEEDRO C=CCOCCC[N@@H+](C)C[C@@H]1CCCCO1 ZINC000347961130 534873672 /nfs/dbraw/zinc/87/36/72/534873672.db2.gz GVIYVNMPRLHKIG-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@H]1CCSC1 ZINC000348037584 534874338 /nfs/dbraw/zinc/87/43/38/534874338.db2.gz RHSRNBKZAPAGKV-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348537374 534875622 /nfs/dbraw/zinc/87/56/22/534875622.db2.gz STPZLXRPJDLFAK-GHMZBOCLSA-N 1 0 249.301 2.329 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000348057256 534875635 /nfs/dbraw/zinc/87/56/35/534875635.db2.gz SZAWQCYZLVUAFF-HNNXBMFYSA-N 1 0 249.354 2.292 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)O[C@H]2CCC[C@@H]21 ZINC000339158234 534877648 /nfs/dbraw/zinc/87/76/48/534877648.db2.gz JEZQHARZVUNYJG-STQMWFEESA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000339018698 534878436 /nfs/dbraw/zinc/87/84/36/534878436.db2.gz DPYKKQPPJLCJIM-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCOCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000339206205 534878518 /nfs/dbraw/zinc/87/85/18/534878518.db2.gz ZKSQGTBZDQBUGM-SNVBAGLBSA-N 1 0 219.275 2.166 20 30 BEEDRO C=CCOCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000293790394 534878627 /nfs/dbraw/zinc/87/86/27/534878627.db2.gz MNJDXVYMOGGJAG-UHFFFAOYSA-N 1 0 235.249 2.383 20 30 BEEDRO C=CCOc1ccc(C[N@H+](CC)C[C@H](C)O)cc1 ZINC000348744615 534882699 /nfs/dbraw/zinc/88/26/99/534882699.db2.gz ZNSRLSRPEZEMRH-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/C=C\C)CC1 ZINC000492786347 526576729 /nfs/dbraw/zinc/57/67/29/526576729.db2.gz AGILHMPXZGFHOD-SCFJQAPRSA-N 1 0 248.370 2.275 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000309086194 526626233 /nfs/dbraw/zinc/62/62/33/526626233.db2.gz YATVKQZWJYQFBR-IJLUTSLNSA-N 1 0 207.317 2.110 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000185039802 526710311 /nfs/dbraw/zinc/71/03/11/526710311.db2.gz HKKOTGYNIWNBGF-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000453362121 526862110 /nfs/dbraw/zinc/86/21/10/526862110.db2.gz NJOXGCWCFUQKRF-FRRDWIJNSA-N 1 0 221.344 2.500 20 30 BEEDRO C#CC[N@@H+](CCc1ccncc1C)C1CC1 ZINC000491743065 526901116 /nfs/dbraw/zinc/90/11/16/526901116.db2.gz KKVAHFLPFITAHU-UHFFFAOYSA-N 1 0 214.312 2.030 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CC)[C@H]1CCc2ccccc21 ZINC000304426107 526903070 /nfs/dbraw/zinc/90/30/70/526903070.db2.gz JNEZXMARZQTMPS-ZBFHGGJFSA-N 1 0 243.350 2.380 20 30 BEEDRO C#CC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000307030314 526958012 /nfs/dbraw/zinc/95/80/12/526958012.db2.gz DLAVWKSMORXXLI-MRVPVSSYSA-N 1 0 205.223 2.282 20 30 BEEDRO C=CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000494057829 526979287 /nfs/dbraw/zinc/97/92/87/526979287.db2.gz GBTRKWSYGDERBS-UHFFFAOYSA-N 1 0 238.331 2.073 20 30 BEEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000487913461 527132862 /nfs/dbraw/zinc/13/28/62/527132862.db2.gz JQHKFEKIODFDNK-CYBMUJFWSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174940780 527125760 /nfs/dbraw/zinc/12/57/60/527125760.db2.gz NEXZSAWHKSMTDJ-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000497025002 527196659 /nfs/dbraw/zinc/19/66/59/527196659.db2.gz HSCUCLHPKVOLCN-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308364405 527235515 /nfs/dbraw/zinc/23/55/15/527235515.db2.gz JNZZOFQSGNMZDR-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308364406 527235635 /nfs/dbraw/zinc/23/56/35/527235635.db2.gz JNZZOFQSGNMZDR-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000300981243 527291850 /nfs/dbraw/zinc/29/18/50/527291850.db2.gz UFDYLWJQINPETF-GFCCVEGCSA-N 1 0 218.325 2.367 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000300838629 527291950 /nfs/dbraw/zinc/29/19/50/527291950.db2.gz CXHPELCRHZIMFJ-GFCCVEGCSA-N 1 0 218.325 2.367 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495814415 527326235 /nfs/dbraw/zinc/32/62/35/527326235.db2.gz OTLQYNKOYXKZMB-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCC(C)(C)CC(=O)OCC ZINC000491542836 527330311 /nfs/dbraw/zinc/33/03/11/527330311.db2.gz CMQKLPZQNCFYHR-LBPRGKRZSA-N 1 0 239.359 2.309 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000491661258 527331562 /nfs/dbraw/zinc/33/15/62/527331562.db2.gz ZNWVBXJBKAJWGO-LBPRGKRZSA-N 1 0 227.307 2.416 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312262412 527362224 /nfs/dbraw/zinc/36/22/24/527362224.db2.gz OAUIXHMCHNRMBU-GFCCVEGCSA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000300399964 527363181 /nfs/dbraw/zinc/36/31/81/527363181.db2.gz ZKLFKOSWFNFKCS-UPJWGTAASA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccc(OC)n1)C(C)C ZINC000491627546 527412727 /nfs/dbraw/zinc/41/27/27/527412727.db2.gz JROBAOBMVFTJCQ-OCCSQVGLSA-N 1 0 246.354 2.269 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)COC(C)C)C(C)(C)C ZINC000308854771 527412810 /nfs/dbraw/zinc/41/28/10/527412810.db2.gz PNWKCQIOBVHAPP-RYUDHWBXSA-N 1 0 211.349 2.437 20 30 BEEDRO C#C[C@H]([NH2+][C@H](COC)CC(C)C)C(C)C ZINC000308971806 527414271 /nfs/dbraw/zinc/41/42/71/527414271.db2.gz ZZSZPCSKQJMBHJ-STQMWFEESA-N 1 0 211.349 2.295 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1C=C ZINC000489504446 527455838 /nfs/dbraw/zinc/45/58/38/527455838.db2.gz ADISUNNSDDGXFN-CHWSQXEVSA-N 1 0 209.333 2.354 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000309043345 527755297 /nfs/dbraw/zinc/75/52/97/527755297.db2.gz MQWJQKZRAJTTBX-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCCC#N)C1(C)C ZINC000309335415 534926558 /nfs/dbraw/zinc/92/65/58/534926558.db2.gz IWMGGWQRUWSPOM-NEPJUHHUSA-N 1 0 224.348 2.472 20 30 BEEDRO CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000020077264 534935037 /nfs/dbraw/zinc/93/50/37/534935037.db2.gz MPCMBKHJKIYOIX-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368159655 534981453 /nfs/dbraw/zinc/98/14/53/534981453.db2.gz FQDMWJWFKNBFLP-RYUDHWBXSA-N 1 0 244.354 2.163 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCSCC1 ZINC000083640534 534987117 /nfs/dbraw/zinc/98/71/17/534987117.db2.gz KVKUANPSWGEZMR-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@]1(C)CCOC1 ZINC000336663848 535005170 /nfs/dbraw/zinc/00/51/70/535005170.db2.gz KZHJTUNBWAHLLD-ZDUSSCGKSA-N 1 0 224.348 2.333 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249892505 535006537 /nfs/dbraw/zinc/00/65/37/535006537.db2.gz QXVIPPYVHXRYQH-XQQFMLRXSA-N 1 0 236.359 2.473 20 30 BEEDRO CC1(C)[C@@H](O)CC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000336031271 535027514 /nfs/dbraw/zinc/02/75/14/535027514.db2.gz LXADLEITPVUDMS-AWEZNQCLSA-N 1 0 247.313 2.022 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC000180626138 535047599 /nfs/dbraw/zinc/04/75/99/535047599.db2.gz GOEZSTJICPPZSG-CYBMUJFWSA-N 1 0 232.327 2.055 20 30 BEEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCC#N)C[C@H]1O ZINC000352996388 535082232 /nfs/dbraw/zinc/08/22/32/535082232.db2.gz GOAJDQDAFNHLGI-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)NC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000262644821 535125951 /nfs/dbraw/zinc/12/59/51/535125951.db2.gz NGXXLSVLJBMDLU-AULYBMBSSA-N 1 0 249.333 2.384 20 30 BEEDRO CC(C)(CO)C(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000347780675 535158516 /nfs/dbraw/zinc/15/85/16/535158516.db2.gz REKHRUYUXUIGSU-UHFFFAOYSA-N 1 0 246.354 2.445 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)c(F)c2)CCOCC1 ZINC000335233304 535187758 /nfs/dbraw/zinc/18/77/58/535187758.db2.gz QOSYOMRLKSRZHV-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO CCC(N)=[NH+]OCc1csc(C2CC2)n1 ZINC000270229571 535226954 /nfs/dbraw/zinc/22/69/54/535226954.db2.gz IFZCBPYEYRHWGM-UHFFFAOYSA-N 1 0 225.317 2.219 20 30 BEEDRO CC[NH+]=C(NCC(F)F)N1CC[C@@](C)(CC)C1 ZINC000261864608 535261059 /nfs/dbraw/zinc/26/10/59/535261059.db2.gz ZVFNSBULLIBPPI-GFCCVEGCSA-N 1 0 247.333 2.339 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911086 535261789 /nfs/dbraw/zinc/26/17/89/535261789.db2.gz MZLCLAHUMIEGMD-STQMWFEESA-N 1 0 249.333 2.386 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267439681 535262375 /nfs/dbraw/zinc/26/23/75/535262375.db2.gz OTFPHERSAZQKCV-KBPBESRZSA-N 1 0 245.370 2.322 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H](C)CC ZINC000262457568 535263167 /nfs/dbraw/zinc/26/31/67/535263167.db2.gz WYUOCJAFOSMLHX-QWRGUYRKSA-N 1 0 225.380 2.386 20 30 BEEDRO CC[NH+]=C(NC[C@H]1CC1(C)C)N1CCCC1 ZINC000263162741 535264346 /nfs/dbraw/zinc/26/43/46/535264346.db2.gz YWXCFPWHCWEZPJ-LLVKDONJSA-N 1 0 223.364 2.094 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000232582284 535271850 /nfs/dbraw/zinc/27/18/50/535271850.db2.gz GRICRDNHWHCRRS-UHFFFAOYSA-N 1 0 231.339 2.177 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2CCOCC2)CC1 ZINC000336211453 535273444 /nfs/dbraw/zinc/27/34/44/535273444.db2.gz XJBPZHLGSPCNEE-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO CCCCON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000267847131 535296303 /nfs/dbraw/zinc/29/63/03/535296303.db2.gz AIRIBUUSPWZTMK-UHFFFAOYSA-N 1 0 249.358 2.185 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCc1ccc(F)cc1 ZINC000264066148 535384988 /nfs/dbraw/zinc/38/49/88/535384988.db2.gz FBKVCHLDJCESGU-UHFFFAOYSA-N 1 0 237.322 2.276 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCCOc1ccccc1 ZINC000264153242 535388522 /nfs/dbraw/zinc/38/85/22/535388522.db2.gz ZRKACQZHVYATNP-UHFFFAOYSA-N 1 0 249.358 2.112 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1c2ccccc2O[C@H]1C ZINC000262315070 535391870 /nfs/dbraw/zinc/39/18/70/535391870.db2.gz UGZBCOLJCOBEPJ-GXFFZTMASA-N 1 0 247.342 2.165 20 30 BEEDRO CCOCC(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000292736787 535438720 /nfs/dbraw/zinc/43/87/20/535438720.db2.gz ABGPYMMMEVVZQB-UHFFFAOYSA-N 1 0 231.339 2.443 20 30 BEEDRO CC[NH+]1CCC(/N=C/c2ccccc2O)CC1 ZINC000299274202 535443421 /nfs/dbraw/zinc/44/34/21/535443421.db2.gz PJBKGXGAOWPCOC-RVDMUPIBSA-N 1 0 232.327 2.295 20 30 BEEDRO CC[N@H+](C[C@@H](C)O)CC(C)(C)CCC#N ZINC000348714589 535764724 /nfs/dbraw/zinc/76/47/24/535764724.db2.gz NUTFCROBOSCZCE-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO CCN1C[C@H](C)[NH+](CCCCC#N)[C@@H](C)C1 ZINC000347697926 535780241 /nfs/dbraw/zinc/78/02/41/535780241.db2.gz ZNPOZCHILVPBSI-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)[C@@H]1CCOC1 ZINC000167262396 535803502 /nfs/dbraw/zinc/80/35/02/535803502.db2.gz WZZJGCOMPWCPGM-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263066672 535818647 /nfs/dbraw/zinc/81/86/47/535818647.db2.gz GFDFFWWBZQTXDE-CHWSQXEVSA-N 1 0 237.391 2.484 20 30 BEEDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361436303 535829444 /nfs/dbraw/zinc/82/94/44/535829444.db2.gz URWJSTMJOPXOGN-WCQYABFASA-N 1 0 246.358 2.154 20 30 BEEDRO CCc1noc(C)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000340444993 535885446 /nfs/dbraw/zinc/88/54/46/535885446.db2.gz RONGFSAESIKJAL-WDEREUQCSA-N 1 0 233.315 2.327 20 30 BEEDRO CC[C@H](O)C[N@H+](CCC#N)CCC(C)C ZINC000304670071 535979791 /nfs/dbraw/zinc/97/97/91/535979791.db2.gz BXUREDZAIWEKNK-LBPRGKRZSA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000335334812 536084979 /nfs/dbraw/zinc/08/49/79/536084979.db2.gz DHVAFVNOOJLOST-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO CCc1cc(N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000335598984 536089806 /nfs/dbraw/zinc/08/98/06/536089806.db2.gz OUWIHYCCMOEFIB-CMPLNLGQSA-N 1 0 215.300 2.170 20 30 BEEDRO CN(CCC#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268587699 536300434 /nfs/dbraw/zinc/30/04/34/536300434.db2.gz TZMCTXPZWFOXLJ-OAHLLOKOSA-N 1 0 243.354 2.106 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000181473702 536328891 /nfs/dbraw/zinc/32/88/91/536328891.db2.gz DITDZWVYEZBYJA-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO CN(CCC[NH+]1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339156833 536347029 /nfs/dbraw/zinc/34/70/29/536347029.db2.gz VYRMYNZLTQEHAA-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO CN(CC[NH+]1CCCC1)Cc1ccc(C#N)s1 ZINC000349065133 536371277 /nfs/dbraw/zinc/37/12/77/536371277.db2.gz XTVKUZIKDPONNO-UHFFFAOYSA-N 1 0 249.383 2.147 20 30 BEEDRO COC1(C[NH+]2CCC(F)(C#N)CC2)CCCC1 ZINC000348713965 536622856 /nfs/dbraw/zinc/62/28/56/536622856.db2.gz XKLHLDQYKAJSTL-UHFFFAOYSA-N 1 0 240.322 2.273 20 30 BEEDRO COc1cc(C)ccc1CNC(=[NH2+])NCC(C)C ZINC000268161699 536646826 /nfs/dbraw/zinc/64/68/26/536646826.db2.gz IUNWWHMNQRPJCV-UHFFFAOYSA-N 1 0 249.358 2.064 20 30 BEEDRO COC1CC([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000352200635 536717307 /nfs/dbraw/zinc/71/73/07/536717307.db2.gz BENJRYUZZCZWOE-UHFFFAOYSA-N 1 0 230.311 2.167 20 30 BEEDRO COc1cc(C[NH2+]CCCCC#N)cc(OC)c1 ZINC000237139291 536796070 /nfs/dbraw/zinc/79/60/70/536796070.db2.gz XOKBCUXPZXQRLA-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO COc1cccc(CNC(=[NH2+])NCCC(C)C)c1 ZINC000264100110 537096856 /nfs/dbraw/zinc/09/68/56/537096856.db2.gz MNROCYDHKPACAM-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO C=CC[C@@H](CC)Nc1nc(N)cc(C)[nH+]1 ZINC000893685875 583199263 /nfs/dbraw/zinc/19/92/63/583199263.db2.gz ZDPCYYYWTFGPDE-SECBINFHSA-N 1 0 206.293 2.134 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)c1ccccn1 ZINC000853104451 588720545 /nfs/dbraw/zinc/72/05/45/588720545.db2.gz UBLZONSTZOCJJI-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)c1ccccn1 ZINC000853103053 588720149 /nfs/dbraw/zinc/72/01/49/588720149.db2.gz MAEQWUHRSLUNNA-JSGCOSHPSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853105297 588720336 /nfs/dbraw/zinc/72/03/36/588720336.db2.gz DWBIHSWMAGLPJU-CYBMUJFWSA-N 1 0 234.343 2.307 20 30 BEEDRO C#Cc1cccnc1NC[C@@H](C)[NH+](CC)CC ZINC000853159171 588722971 /nfs/dbraw/zinc/72/29/71/588722971.db2.gz WHXLDWPDDWMFAL-GFCCVEGCSA-N 1 0 231.343 2.205 20 30 BEEDRO C#Cc1cccnc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000853183418 588723876 /nfs/dbraw/zinc/72/38/76/588723876.db2.gz IBQCLWGTTKXDFK-UONOGXRCSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1cccnc1N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000853246079 588728683 /nfs/dbraw/zinc/72/86/83/588728683.db2.gz RXNAPJPAAZYWED-AWEZNQCLSA-N 1 0 243.354 2.030 20 30 BEEDRO CCO[NH+]=Cc1ccc(N2CCC(O)CC2)cc1 ZINC000853285963 588730626 /nfs/dbraw/zinc/73/06/26/588730626.db2.gz DXMHOEFMAHLBEJ-UHFFFAOYSA-N 1 0 248.326 2.018 20 30 BEEDRO C#Cc1cccnc1NC1CC[NH+](CC=C)CC1 ZINC000853290320 588730964 /nfs/dbraw/zinc/73/09/64/588730964.db2.gz VYOJVQZIDOBMDL-UHFFFAOYSA-N 1 0 241.338 2.125 20 30 BEEDRO C[C@H]1CCCCN1N=C1CC[N@@H+]2CCC[C@@H]12 ZINC000853380373 588739371 /nfs/dbraw/zinc/73/93/71/588739371.db2.gz TUCDAXCAMWHWAV-AAEUAGOBSA-N 1 0 221.348 2.085 20 30 BEEDRO C[C@@H]1CCCCN1N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000853381159 588739572 /nfs/dbraw/zinc/73/95/72/588739572.db2.gz XQCCIQZSURZOLF-NEPJUHHUSA-N 1 0 223.364 2.331 20 30 BEEDRO C#C[C@H](C)N(C)Cn1ncc(Cl)c1C1CC1 ZINC000853509325 588746810 /nfs/dbraw/zinc/74/68/10/588746810.db2.gz SMHSDDGWRBGGTP-VIFPVBQESA-N 1 0 237.734 2.325 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C1 ZINC000853536549 588747961 /nfs/dbraw/zinc/74/79/61/588747961.db2.gz DNRGXGICZCGNPA-MCIONIFRSA-N 1 0 248.370 2.243 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CN2CC[C@@H](C)C2=O)C1 ZINC000853537132 588748106 /nfs/dbraw/zinc/74/81/06/588748106.db2.gz PRFDOURNSARBRN-CHWSQXEVSA-N 1 0 236.359 2.100 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1CC(C)(C)CC1=O ZINC000853598564 588750072 /nfs/dbraw/zinc/75/00/72/588750072.db2.gz SMUGONZAQSGAMJ-BETUJISGSA-N 1 0 248.370 2.385 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855287274 588827037 /nfs/dbraw/zinc/82/70/37/588827037.db2.gz BGKKCMDYJOCZMA-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)C(=O)N(C)OC ZINC000858585759 582468809 /nfs/dbraw/zinc/46/88/09/582468809.db2.gz ACIOEYFSIGDGPT-VXGBXAGGSA-N 1 0 242.363 2.119 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000890555557 582475767 /nfs/dbraw/zinc/47/57/67/582475767.db2.gz AGUDHXHZQFTUNS-NEPJUHHUSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000890555559 582475947 /nfs/dbraw/zinc/47/59/47/582475947.db2.gz AGUDHXHZQFTUNS-RYUDHWBXSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC000890557495 582477360 /nfs/dbraw/zinc/47/73/60/582477360.db2.gz AAWOZRAGQQYVGF-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@H]1CC(=NOC/C=C/Cl)CC[N@@H+]1C ZINC000811669746 582487810 /nfs/dbraw/zinc/48/78/10/582487810.db2.gz UAUAKBYUAKPQQU-GGSPIIKMSA-N 1 0 216.712 2.226 20 30 BEEDRO C=CCCCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000890809173 582571127 /nfs/dbraw/zinc/57/11/27/582571127.db2.gz NGVYYNZEPPBRQK-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000742383308 582664835 /nfs/dbraw/zinc/66/48/35/582664835.db2.gz YPXVMOFRJVQBIB-UHFFFAOYSA-N 1 0 247.729 2.491 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000846979767 582672748 /nfs/dbraw/zinc/67/27/48/582672748.db2.gz CNMQWGFNWDOALV-ZIAGYGMSSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@H]1CN(Cc2csc(C#N)c2)[C@@H](C)CO1 ZINC000891669864 582708633 /nfs/dbraw/zinc/70/86/33/582708633.db2.gz FVFPQXWALHVOQT-UWVGGRQHSA-N 1 0 236.340 2.229 20 30 BEEDRO CCN(CC#N)CC1(CCCOC)CCC1 ZINC000891777436 582719162 /nfs/dbraw/zinc/71/91/62/582719162.db2.gz AUUHKMHDFIQKCK-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cc(C)cc(C#N)n1 ZINC000891789119 582721143 /nfs/dbraw/zinc/72/11/43/582721143.db2.gz JDGUURPPGWDFFM-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc2c1OCC2 ZINC000891805466 582724753 /nfs/dbraw/zinc/72/47/53/582724753.db2.gz LGPXLWUNARYVCX-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NC[C@H]2CCCO2)cc1 ZINC000104152305 582791860 /nfs/dbraw/zinc/79/18/60/582791860.db2.gz ZWSGGZBUCHBAGX-CYBMUJFWSA-N 1 0 247.342 2.155 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)NC[C@H]([NH3+])CC ZINC000892142663 582799921 /nfs/dbraw/zinc/79/99/21/582799921.db2.gz AGMININMXNUTKH-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000892146251 582800550 /nfs/dbraw/zinc/80/05/50/582800550.db2.gz OXONEBXKQHFHEU-GHMZBOCLSA-N 1 0 241.379 2.014 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC000135534248 582827317 /nfs/dbraw/zinc/82/73/17/582827317.db2.gz LKNGVGVBVOGOAT-KOLCDFICSA-N 1 0 218.275 2.443 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCc2ccccc21 ZINC000780293356 582827457 /nfs/dbraw/zinc/82/74/57/582827457.db2.gz SZVKSJIFEGLLDZ-OAHLLOKOSA-N 1 0 223.319 2.285 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000300097705 582827913 /nfs/dbraw/zinc/82/79/13/582827913.db2.gz PCNGIEQSBFPHTK-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO C=CCNC(=[NH2+])NCC1CCCCCC1 ZINC000849037236 582836998 /nfs/dbraw/zinc/83/69/98/582836998.db2.gz VWYCBGMUUYYCHZ-UHFFFAOYSA-N 1 0 209.337 2.257 20 30 BEEDRO C[NH+]=C(NCC[C@]1(C)C[C@]1(F)Cl)NC1CC1 ZINC000849047334 582840893 /nfs/dbraw/zinc/84/08/93/582840893.db2.gz KDGRPZGLGHCXDJ-GHMZBOCLSA-N 1 0 247.745 2.019 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000892421222 582883072 /nfs/dbraw/zinc/88/30/72/582883072.db2.gz GUJROIXDSCBFDP-GFCCVEGCSA-N 1 0 244.342 2.015 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(C)s1 ZINC000851749898 582966019 /nfs/dbraw/zinc/96/60/19/582966019.db2.gz QGUJYUJLEYPFER-UHFFFAOYSA-N 1 0 223.341 2.138 20 30 BEEDRO C#CCCCC(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000856282363 588867160 /nfs/dbraw/zinc/86/71/60/588867160.db2.gz VFPJSIBXLZZWLJ-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(CC)nc1C ZINC000892951057 583017586 /nfs/dbraw/zinc/01/75/86/583017586.db2.gz RBEHILHYQODQAI-JTQLQIEISA-N 1 0 207.321 2.266 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]CC#Cc1ccccc1 ZINC000893073606 583042030 /nfs/dbraw/zinc/04/20/30/583042030.db2.gz CXJDYSZKUPUVBY-GDBMZVCRSA-N 1 0 245.366 2.425 20 30 BEEDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000893077518 583043512 /nfs/dbraw/zinc/04/35/12/583043512.db2.gz LFEKAWMHLDKOCG-GHMZBOCLSA-N 1 0 246.310 2.160 20 30 BEEDRO C#CCCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000893092510 583048344 /nfs/dbraw/zinc/04/83/44/583048344.db2.gz LTQYQHDWUGAAQL-UHFFFAOYSA-N 1 0 223.345 2.165 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000893111661 583051074 /nfs/dbraw/zinc/05/10/74/583051074.db2.gz AHKGOBWKVCFJBE-YIZRAAEISA-N 1 0 218.138 2.324 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893113815 583051504 /nfs/dbraw/zinc/05/15/04/583051504.db2.gz QAVMEFYUKXWIJY-SECBINFHSA-N 1 0 237.299 2.074 20 30 BEEDRO CCCCCCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000114521889 588874744 /nfs/dbraw/zinc/87/47/44/588874744.db2.gz OQHDQGSOJAPZNP-LBPRGKRZSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCCC(=O)NC[C@@H](C)C[NH3+] ZINC000114576350 588876068 /nfs/dbraw/zinc/87/60/68/588876068.db2.gz CJLMZRNBRNSAFF-LBPRGKRZSA-N 1 0 228.380 2.448 20 30 BEEDRO C=CCCOCC[NH2+]CC1CCC(OC)CC1 ZINC000893250824 583078181 /nfs/dbraw/zinc/07/81/81/583078181.db2.gz BQAMOSNZCAIPQC-UHFFFAOYSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CSCCC ZINC000893284363 583085180 /nfs/dbraw/zinc/08/51/80/583085180.db2.gz QHLKGZDXVSOFBQ-NWDGAFQWSA-N 1 0 231.405 2.292 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@H]1CCCO1 ZINC000775571101 583093117 /nfs/dbraw/zinc/09/31/17/583093117.db2.gz AGCIATRAKLTUFF-KWCYVHTRSA-N 1 0 249.379 2.450 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H]1CCC[C@@H](C)C1 ZINC000104179530 583158601 /nfs/dbraw/zinc/15/86/01/583158601.db2.gz CMKWFHCRVBTKCA-NEPJUHHUSA-N 1 0 225.380 2.469 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCc2ccccc21 ZINC000893569048 583165510 /nfs/dbraw/zinc/16/55/10/583165510.db2.gz YHOKFSDMGUTIOO-ZIAGYGMSSA-N 1 0 231.339 2.243 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840937373 583166388 /nfs/dbraw/zinc/16/63/88/583166388.db2.gz RSPYDVNYFGDNAS-UHFFFAOYSA-N 1 0 248.370 2.353 20 30 BEEDRO C=C(Cl)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222095047 583187026 /nfs/dbraw/zinc/18/70/26/583187026.db2.gz UHBYNHQEJBBFJR-ONGXEEELSA-N 1 0 216.756 2.059 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1csc(C#N)c1 ZINC000893668726 583192179 /nfs/dbraw/zinc/19/21/79/583192179.db2.gz HIEFZTRFUPQHKD-WDEREUQCSA-N 1 0 249.383 2.144 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1[nH]nc(C)c1C ZINC000893878053 583239752 /nfs/dbraw/zinc/23/97/52/583239752.db2.gz PXHINFUEAKFDTD-UHFFFAOYSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC[N@H+](Cc1c(C)ccnc1N)C(C)C ZINC000893952390 583261607 /nfs/dbraw/zinc/26/16/07/583261607.db2.gz HCVFPBMGTQFZTM-UHFFFAOYSA-N 1 0 219.332 2.369 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CC1CCC(OC)CC1 ZINC000894058862 583291388 /nfs/dbraw/zinc/29/13/88/583291388.db2.gz AHKONLGFRWPVLL-HIFPTAJRSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000877304334 583309963 /nfs/dbraw/zinc/30/99/63/583309963.db2.gz YFKJIKYCBKZNTQ-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877514471 583320273 /nfs/dbraw/zinc/32/02/73/583320273.db2.gz OXMOBNKMSNAVDN-SNVBAGLBSA-N 1 0 232.283 2.323 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCc2nccnc2C1 ZINC000877637409 583339331 /nfs/dbraw/zinc/33/93/31/583339331.db2.gz UNMDUBWAVDMNFP-UHFFFAOYSA-N 1 0 243.354 2.418 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000877617178 583339795 /nfs/dbraw/zinc/33/97/95/583339795.db2.gz MMAIBSTXKWRZNQ-GFCCVEGCSA-N 1 0 223.385 2.475 20 30 BEEDRO COC1CCC(C[NH2+]CC2(C#N)CC2)CC1 ZINC000894204773 583340896 /nfs/dbraw/zinc/34/08/96/583340896.db2.gz SYBQOFFUUFHRPQ-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000878503829 583377621 /nfs/dbraw/zinc/37/76/21/583377621.db2.gz YSEKOAOUUVJYAR-HZSPNIEDSA-N 1 0 239.359 2.078 20 30 BEEDRO COc1cc(C)cc(C[NH2+]CCCCC#N)c1O ZINC000894239284 583386804 /nfs/dbraw/zinc/38/68/04/583386804.db2.gz ZYDDBPQGCLZPKZ-UHFFFAOYSA-N 1 0 248.326 2.493 20 30 BEEDRO Cc1noc(C)c1C[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000788012615 583389133 /nfs/dbraw/zinc/38/91/33/583389133.db2.gz WDGWDINPIVMHSH-VXGBXAGGSA-N 1 0 233.315 2.416 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1nccc2c1CCCC2 ZINC000894383759 583442908 /nfs/dbraw/zinc/44/29/08/583442908.db2.gz OIXSFOZOKYCHSA-LLVKDONJSA-N 1 0 214.312 2.072 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(C2CCC2)c1)C(C)C ZINC000894386734 583443263 /nfs/dbraw/zinc/44/32/63/583443263.db2.gz CYJKYIRTKBCCCN-CQSZACIVSA-N 1 0 231.343 2.356 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)C(C)C ZINC000894387795 583444041 /nfs/dbraw/zinc/44/40/41/583444041.db2.gz VXEOBLZYOIICJV-OUAUKWLOSA-N 1 0 244.176 2.407 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000894386673 583444226 /nfs/dbraw/zinc/44/42/26/583444226.db2.gz CLXTTWGKOQJGQA-PKCACUDHSA-N 1 0 233.355 2.047 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000894387434 583444351 /nfs/dbraw/zinc/44/43/51/583444351.db2.gz MOTCNYLOSFFDRQ-AEJSXWLSSA-N 1 0 230.149 2.161 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)noc1CC ZINC000894387509 583444716 /nfs/dbraw/zinc/44/47/16/583444716.db2.gz OBWWARCKKHLHSU-JTQLQIEISA-N 1 0 206.289 2.047 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn2ccnc2s1)C(C)C ZINC000894387622 583444901 /nfs/dbraw/zinc/44/49/01/583444901.db2.gz RDPAGOPYVKMFFY-LLVKDONJSA-N 1 0 233.340 2.143 20 30 BEEDRO COc1cc(C)cc(C[NH2+]CCCC#N)c1O ZINC000894444857 583460613 /nfs/dbraw/zinc/46/06/13/583460613.db2.gz LKDCWAPBFWTWBJ-UHFFFAOYSA-N 1 0 234.299 2.103 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894469601 583468216 /nfs/dbraw/zinc/46/82/16/583468216.db2.gz NLOLJEOKMXLLIA-GFCCVEGCSA-N 1 0 248.326 2.491 20 30 BEEDRO C=CCCCC[NH2+]Cc1c(C)ccnc1N ZINC000894480811 583470024 /nfs/dbraw/zinc/47/00/24/583470024.db2.gz QJXZHGSWQBRKND-UHFFFAOYSA-N 1 0 219.332 2.418 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)C(C)(C)C ZINC000894517747 583476697 /nfs/dbraw/zinc/47/66/97/583476697.db2.gz QEJQKGHEOIBPIS-CYBMUJFWSA-N 1 0 245.370 2.435 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000894518309 583476779 /nfs/dbraw/zinc/47/67/79/583476779.db2.gz XHCQOJMPVJIAMJ-GXYBRJDSSA-N 1 0 247.382 2.437 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000894609732 583492061 /nfs/dbraw/zinc/49/20/61/583492061.db2.gz FQKOZIPCBGFMOF-YNEHKIRRSA-N 1 0 241.375 2.371 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000894657152 583500862 /nfs/dbraw/zinc/50/08/62/583500862.db2.gz OVTXXPUEJYKLCM-WXRRBKDZSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894712091 583510871 /nfs/dbraw/zinc/51/08/71/583510871.db2.gz OKOYNSKXMGCEJI-VXGBXAGGSA-N 1 0 243.322 2.176 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CSCCC ZINC000894769480 583516897 /nfs/dbraw/zinc/51/68/97/583516897.db2.gz NEUXZSOLKQKDFS-NEPJUHHUSA-N 1 0 231.405 2.435 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2CCC(C)(O)CC2)c1 ZINC000894775128 583517856 /nfs/dbraw/zinc/51/78/56/583517856.db2.gz FPBPNFBPOYDRGJ-UHFFFAOYSA-N 1 0 243.350 2.451 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1csc(C#N)c1 ZINC000894765258 583518589 /nfs/dbraw/zinc/51/85/89/583518589.db2.gz ZELSASLJPWIPAE-SNVBAGLBSA-N 1 0 238.356 2.213 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)ccnc1N)C(C)(C)C ZINC000894783752 583521538 /nfs/dbraw/zinc/52/15/38/583521538.db2.gz AASQCGFDEXGNAT-GFCCVEGCSA-N 1 0 231.343 2.110 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC000894861227 583534587 /nfs/dbraw/zinc/53/45/87/583534587.db2.gz CDDQURHKTPMBES-NEPJUHHUSA-N 1 0 243.354 2.464 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000894863753 583536470 /nfs/dbraw/zinc/53/64/70/583536470.db2.gz QODLMHSSWLPZFB-CQSZACIVSA-N 1 0 220.360 2.030 20 30 BEEDRO C#CCCC[N@@H+](CC)[C@H](CO)c1ccccc1 ZINC000880461558 583541786 /nfs/dbraw/zinc/54/17/86/583541786.db2.gz INQSSNJCUKTREZ-OAHLLOKOSA-N 1 0 231.339 2.455 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1COCO1 ZINC000894879201 583542718 /nfs/dbraw/zinc/54/27/18/583542718.db2.gz RMKQXGDIFURETQ-CHWSQXEVSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1COCO1 ZINC000894880591 583543780 /nfs/dbraw/zinc/54/37/80/583543780.db2.gz DZHMXHHCSINLFH-NEPJUHHUSA-N 1 0 213.321 2.084 20 30 BEEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1)[C@H](O)C(C)C ZINC000894915880 583555204 /nfs/dbraw/zinc/55/52/04/583555204.db2.gz PLDDVNPBASHHMJ-HZPDHXFCSA-N 1 0 245.366 2.423 20 30 BEEDRO CC[C@H]([NH2+]CC#Cc1ccccc1)[C@@H](O)C(C)C ZINC000894915879 583555789 /nfs/dbraw/zinc/55/57/89/583555789.db2.gz PLDDVNPBASHHMJ-HOTGVXAUSA-N 1 0 245.366 2.423 20 30 BEEDRO OC[C@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000894945411 583557696 /nfs/dbraw/zinc/55/76/96/583557696.db2.gz XKMZCHKINRLIER-JKSUJKDBSA-N 1 0 243.350 2.179 20 30 BEEDRO OC1(CCC[NH2+]CC#Cc2ccccc2)CCC1 ZINC000894979242 583563058 /nfs/dbraw/zinc/56/30/58/583563058.db2.gz TWFZMBNAJZMJNB-UHFFFAOYSA-N 1 0 243.350 2.323 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCC(C(F)F)CC1 ZINC000895100750 583588823 /nfs/dbraw/zinc/58/88/23/583588823.db2.gz WEQWDCFZAXBUGF-MCIGGMRASA-N 1 0 245.313 2.174 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]CCc1cc(C)cc(C)c1 ZINC000895103084 583589068 /nfs/dbraw/zinc/58/90/68/583589068.db2.gz LZCVCJPHTRMVSN-MRXNPFEDSA-N 1 0 245.366 2.210 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(F)cc2C)CC1 ZINC000895115984 583591553 /nfs/dbraw/zinc/59/15/53/583591553.db2.gz QFKKHVHHZXSJQP-UHFFFAOYSA-N 1 0 232.302 2.374 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(O)c(F)c2)CC1 ZINC000895115646 583591776 /nfs/dbraw/zinc/59/17/76/583591776.db2.gz PCWJWENEQDCUNO-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000895122545 583596201 /nfs/dbraw/zinc/59/62/01/583596201.db2.gz NEBLVDOCEGOOKD-NSHDSACASA-N 1 0 240.347 2.105 20 30 BEEDRO C[C@@H]1CCC(N=NC2=N[C@H]3CCCC[C@@H]3N2)C1 ZINC000814885549 583596212 /nfs/dbraw/zinc/59/62/12/583596212.db2.gz CYZQJSZKEXORST-USWWRNFRSA-N 1 0 234.347 2.022 20 30 BEEDRO CC[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C(=O)OC ZINC000895134787 583601794 /nfs/dbraw/zinc/60/17/94/583601794.db2.gz ABLWIXZQKIDQFY-WDEREUQCSA-N 1 0 240.347 2.104 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@H]2CO)cc1 ZINC000895151183 583606434 /nfs/dbraw/zinc/60/64/34/583606434.db2.gz QTTGNLZDQMYVIE-INIZCTEOSA-N 1 0 243.350 2.405 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857869081 588916115 /nfs/dbraw/zinc/91/61/15/588916115.db2.gz JKRBQXQJMVAANH-LLVKDONJSA-N 1 0 232.331 2.317 20 30 BEEDRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160973 583609793 /nfs/dbraw/zinc/60/97/93/583609793.db2.gz QBDWIASEVXUFGW-VXGBXAGGSA-N 1 0 242.363 2.171 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000895203419 583624214 /nfs/dbraw/zinc/62/42/14/583624214.db2.gz OXKSNTCDIFCASY-LLVKDONJSA-N 1 0 245.351 2.241 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895203410 583624471 /nfs/dbraw/zinc/62/44/71/583624471.db2.gz OQIVJHCSOGBEGV-CYBMUJFWSA-N 1 0 243.354 2.453 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)COC(C)=O ZINC000895208979 583625998 /nfs/dbraw/zinc/62/59/98/583625998.db2.gz PGDHCCOKNDKZFO-NSHDSACASA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895323612 583650603 /nfs/dbraw/zinc/65/06/03/583650603.db2.gz MUGFEJAUEGORSC-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1c1ccccc1 ZINC000895340544 583654622 /nfs/dbraw/zinc/65/46/22/583654622.db2.gz WJOKQJGHWHMYRO-KFWWJZLASA-N 1 0 231.339 2.459 20 30 BEEDRO COCCCC1(C[NH+]2CC(CC#N)C2)CCC1 ZINC000895345016 583655087 /nfs/dbraw/zinc/65/50/87/583655087.db2.gz WZAHGAQNIKJDHW-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCOCCC[NH2+]Cc1c(C)noc1CC ZINC000895379234 583662041 /nfs/dbraw/zinc/66/20/41/583662041.db2.gz UANLLNBOLOZKKK-UHFFFAOYSA-N 1 0 238.331 2.228 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000895382781 583662881 /nfs/dbraw/zinc/66/28/81/583662881.db2.gz MJQIMXOVDCSNRZ-UHFFFAOYSA-N 1 0 247.313 2.094 20 30 BEEDRO Cc1cc(C[NH2+]CC2CSC2)ccc1C#N ZINC000895422343 583673466 /nfs/dbraw/zinc/67/34/66/583673466.db2.gz ZLPZKJSBVJFAPZ-UHFFFAOYSA-N 1 0 232.352 2.319 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000895437257 583674524 /nfs/dbraw/zinc/67/45/24/583674524.db2.gz YFQWXBMELVOLNL-JSGCOSHPSA-N 1 0 248.370 2.333 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000895491223 583680894 /nfs/dbraw/zinc/68/08/94/583680894.db2.gz YXFXDNKLJQHBPI-QQFBHYJXSA-N 1 0 243.350 2.081 20 30 BEEDRO C#CC1(O)CC[NH+](CCCCC(C)C)CC1 ZINC000895537604 583687501 /nfs/dbraw/zinc/68/75/01/583687501.db2.gz CFXXLOBJNDWHIE-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CC[C@@H]1CCCOC1 ZINC000895561371 583691232 /nfs/dbraw/zinc/69/12/32/583691232.db2.gz PIYRMUMJKYVNSV-INIZCTEOSA-N 1 0 243.350 2.444 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)COCCOC ZINC000895562161 583691613 /nfs/dbraw/zinc/69/16/13/583691613.db2.gz ZBFXZUQMNLXKFF-LBPRGKRZSA-N 1 0 229.364 2.230 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC000895623423 583697488 /nfs/dbraw/zinc/69/74/88/583697488.db2.gz RIYICUPFMFFZJS-KLPPZKSPSA-N 1 0 248.301 2.212 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000895622535 583697679 /nfs/dbraw/zinc/69/76/79/583697679.db2.gz FNRYEGPKFMAUQU-JSTMSRMQSA-N 1 0 222.332 2.083 20 30 BEEDRO C#CC1([NH2+]CCC[C@H]2CCO2)CCCC1 ZINC000895678291 583704689 /nfs/dbraw/zinc/70/46/89/583704689.db2.gz ZLUGQFNGJSQVGF-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CC1([NH2+]C[C@](C)(CC)OC)CCCC1 ZINC000895677110 583704735 /nfs/dbraw/zinc/70/47/35/583704735.db2.gz HRSPDZWJKSUJDA-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000895671949 583706750 /nfs/dbraw/zinc/70/67/50/583706750.db2.gz NFIKSIIJLVMJKD-CRWXNKLISA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CCN1CC ZINC000895672179 583706913 /nfs/dbraw/zinc/70/69/13/583706913.db2.gz QZSAPGCSZQPVDQ-AWEZNQCLSA-N 1 0 222.376 2.254 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000895712591 583710807 /nfs/dbraw/zinc/71/08/07/583710807.db2.gz AHJNQMSKWLQKLU-ONGXEEELSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000895712577 583710905 /nfs/dbraw/zinc/71/09/05/583710905.db2.gz ABABEGDHTNEZQO-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000895713606 583711432 /nfs/dbraw/zinc/71/14/32/583711432.db2.gz QOAVONIBTJMEFY-JHJVBQTASA-N 1 0 243.416 2.433 20 30 BEEDRO CCO[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727651295 583715057 /nfs/dbraw/zinc/71/50/57/583715057.db2.gz RWVJAJVXBBQSHG-UHFFFAOYSA-N 1 0 210.252 2.262 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895791341 583728432 /nfs/dbraw/zinc/72/84/32/583728432.db2.gz RAXWPDQJGPOIQS-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cc(C)co2)CC1 ZINC000895827734 583733215 /nfs/dbraw/zinc/73/32/15/583733215.db2.gz PBTGFKLDBJUSOV-UHFFFAOYSA-N 1 0 235.327 2.491 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000895833599 583735558 /nfs/dbraw/zinc/73/55/58/583735558.db2.gz AAABJXBWVVNCQH-CYBMUJFWSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@](C)(CC)OC)CC1 ZINC000895835008 583736002 /nfs/dbraw/zinc/73/60/02/583736002.db2.gz WAWSKXHMJVQUIY-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H]1CCCO1 ZINC000883189189 583738392 /nfs/dbraw/zinc/73/83/92/583738392.db2.gz ABQHLFZYNRDDTJ-MJBXVCDLSA-N 1 0 241.375 2.107 20 30 BEEDRO CCCC(N=NC(N)=[NH2+])C1CCCCC1 ZINC000727779692 583769780 /nfs/dbraw/zinc/76/97/80/583769780.db2.gz PYNYDVZFHNYOCZ-UHFFFAOYSA-N 1 0 210.325 2.206 20 30 BEEDRO Cc1nc([C@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)no1 ZINC000896233532 583784386 /nfs/dbraw/zinc/78/43/86/583784386.db2.gz UMTWMAAIKIFSTP-PWSUYJOCSA-N 1 0 248.330 2.107 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cnccc1C ZINC000883390067 583788416 /nfs/dbraw/zinc/78/84/16/583788416.db2.gz FBLOUVNUFOATKR-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cnccc1C ZINC000883390069 583788677 /nfs/dbraw/zinc/78/86/77/583788677.db2.gz FBLOUVNUFOATKR-STQMWFEESA-N 1 0 234.343 2.368 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000896297443 583789399 /nfs/dbraw/zinc/78/93/99/583789399.db2.gz AZYYSSQSDSLCQD-LBPRGKRZSA-N 1 0 246.358 2.177 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H]1CC=CCC1 ZINC000883401744 583797410 /nfs/dbraw/zinc/79/74/10/583797410.db2.gz WWLIMXHYPUEBHP-STQMWFEESA-N 1 0 209.333 2.259 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000896500754 583807036 /nfs/dbraw/zinc/80/70/36/583807036.db2.gz JYMWMEBUOOBWIY-LBPRGKRZSA-N 1 0 224.373 2.365 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCN(C)[C@H]1C ZINC000896556155 583811657 /nfs/dbraw/zinc/81/16/57/583811657.db2.gz SQIDIRZFSCZWIC-KBPBESRZSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000896556158 583812222 /nfs/dbraw/zinc/81/22/22/583812222.db2.gz SQIDIRZFSCZWIC-ZIAGYGMSSA-N 1 0 222.376 2.252 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000896611302 583817155 /nfs/dbraw/zinc/81/71/55/583817155.db2.gz WTXTXQFPDLDTST-QWRGUYRKSA-N 1 0 212.337 2.329 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CC1 ZINC000896851163 583839300 /nfs/dbraw/zinc/83/93/00/583839300.db2.gz QYNTVISLJMUPAA-FTGKKSIPSA-N 1 0 246.354 2.249 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000897165731 583886668 /nfs/dbraw/zinc/88/66/68/583886668.db2.gz AZRFVKXZASHOHD-ZDUSSCGKSA-N 1 0 242.322 2.433 20 30 BEEDRO CC#CC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000897167870 583887340 /nfs/dbraw/zinc/88/73/40/583887340.db2.gz VDRIBBHSLHQITJ-UHFFFAOYSA-N 1 0 245.351 2.389 20 30 BEEDRO C#CC[N@H+](Cc1cn2ccnc2s1)C(C)C ZINC000897170903 583888830 /nfs/dbraw/zinc/88/88/30/583888830.db2.gz KQEBXYIBNJWEPX-UHFFFAOYSA-N 1 0 233.340 2.239 20 30 BEEDRO C#CC[N@H+](Cc1ccc2c(n1)CCC2)C(C)C ZINC000897171457 583888891 /nfs/dbraw/zinc/88/88/91/583888891.db2.gz ZVEASFKCUTYLGL-UHFFFAOYSA-N 1 0 228.339 2.414 20 30 BEEDRO CC1(C)CC[N@H+](CCNc2ccc(C#N)cn2)C1 ZINC000897248693 583902315 /nfs/dbraw/zinc/90/23/15/583902315.db2.gz XKNCDVLPUSZSSY-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1(C)CC[N@H+](CCNc2ncccc2C#N)C1 ZINC000897249053 583902549 /nfs/dbraw/zinc/90/25/49/583902549.db2.gz KMHXWCCPLKQTLI-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1(C)CC[N@H+](CCNc2cc(C#N)ccn2)C1 ZINC000897249678 583903246 /nfs/dbraw/zinc/90/32/46/583903246.db2.gz ZQVDTHHMZRDLRF-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(C)o1 ZINC000858332112 588946020 /nfs/dbraw/zinc/94/60/20/588946020.db2.gz NXZZRESSLMJBJH-GFCCVEGCSA-N 1 0 221.300 2.106 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1cncc(O)c1 ZINC000897305633 583913025 /nfs/dbraw/zinc/91/30/25/583913025.db2.gz ZKAWPSGDCHHSDC-SNVBAGLBSA-N 1 0 233.315 2.205 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315792 583918560 /nfs/dbraw/zinc/91/85/60/583918560.db2.gz RUMIFTVCEHJYDE-MNOVXSKESA-N 1 0 220.316 2.478 20 30 BEEDRO C#CCC1([NH2+]CCC[C@H]2CCO2)CCC1 ZINC000897350489 583928813 /nfs/dbraw/zinc/92/88/13/583928813.db2.gz DWMBHNQEHVFVHY-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccc(F)c1 ZINC000858332209 588946089 /nfs/dbraw/zinc/94/60/89/588946089.db2.gz QFQFFKWNYGEJFP-CQSZACIVSA-N 1 0 235.302 2.344 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)cc1 ZINC000858229466 588939434 /nfs/dbraw/zinc/93/94/34/588939434.db2.gz BDGIMUFOJJHIHB-ZBFHGGJFSA-N 1 0 241.334 2.325 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000858335481 588947235 /nfs/dbraw/zinc/94/72/35/588947235.db2.gz ZLGXXTXWKUIZJP-JYJNAYRXSA-N 1 0 243.350 2.418 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000897509194 583998574 /nfs/dbraw/zinc/99/85/74/583998574.db2.gz VNVFNHYREDXHTR-MRVWCRGKSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]1CCN(C(=[NH2+])NCC2(C#N)CCCC2)C1 ZINC000864469498 584009336 /nfs/dbraw/zinc/00/93/36/584009336.db2.gz QPQXIOORTDTVSD-GFCCVEGCSA-N 1 0 248.374 2.327 20 30 BEEDRO CC[C@H]1CCN(C(=[NH2+])NCC2(C#N)CCCC2)C1 ZINC000864469499 584009398 /nfs/dbraw/zinc/00/93/98/584009398.db2.gz QPQXIOORTDTVSD-LBPRGKRZSA-N 1 0 248.374 2.327 20 30 BEEDRO CC(C)(CCC#N)CNC(=[NH2+])NCCC1CC1 ZINC000864468766 584010251 /nfs/dbraw/zinc/01/02/51/584010251.db2.gz MNZCLYJRQADLQO-UHFFFAOYSA-N 1 0 236.363 2.230 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCCC[C@H]2O)o1 ZINC000897538760 584010751 /nfs/dbraw/zinc/01/07/51/584010751.db2.gz DTCFBEARZARVNV-BXUZGUMPSA-N 1 0 248.326 2.182 20 30 BEEDRO CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865397206 584017537 /nfs/dbraw/zinc/01/75/37/584017537.db2.gz ASEHUUQLMBULEQ-UHFFFAOYSA-N 1 0 217.316 2.124 20 30 BEEDRO CCC[C@H](C)CN1CCO[C@@](C)(C#N)C1 ZINC000897584460 584021784 /nfs/dbraw/zinc/02/17/84/584021784.db2.gz HDTQNQQVJPRHDD-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1 ZINC000865689866 584026866 /nfs/dbraw/zinc/02/68/66/584026866.db2.gz QPUUEBSZJQEBSQ-TYNCELHUSA-N 1 0 229.323 2.323 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000897628384 584033046 /nfs/dbraw/zinc/03/30/46/584033046.db2.gz IKRJTFKQQLTEGS-SECBINFHSA-N 1 0 221.329 2.459 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CCCCO1 ZINC000858407525 588951860 /nfs/dbraw/zinc/95/18/60/588951860.db2.gz HVEJMAWJGVYLEV-FZMZJTMJSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897777893 584046053 /nfs/dbraw/zinc/04/60/53/584046053.db2.gz CFURGFGZLGTZFT-IWMBGFJWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cnn(CCF)c1 ZINC000897737048 584046660 /nfs/dbraw/zinc/04/66/60/584046660.db2.gz IIZSTICELIDRCC-NSHDSACASA-N 1 0 225.311 2.297 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000897813685 584047135 /nfs/dbraw/zinc/04/71/35/584047135.db2.gz MFTOLMRBGBWVST-OYFCHPHHSA-N 1 0 233.355 2.497 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897818994 584051283 /nfs/dbraw/zinc/05/12/83/584051283.db2.gz VKYYHPCESWRSHM-IIEFLBBWSA-N 1 0 221.344 2.497 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CC12CC(O)C2 ZINC000897848123 584053885 /nfs/dbraw/zinc/05/38/85/584053885.db2.gz IIFWJZVJGZDOAL-CQLXCSJHSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2COCC[C@H]2OC)C1 ZINC000897890808 584057669 /nfs/dbraw/zinc/05/76/69/584057669.db2.gz ZVQHASWEPSSVLA-IGQOVBAYSA-N 1 0 239.359 2.125 20 30 BEEDRO CC1(C#N)CCC([NH2+]C2CC(CCO)C2)CC1 ZINC000898011147 584071471 /nfs/dbraw/zinc/07/14/71/584071471.db2.gz SDUQDCVONHLMSX-UHFFFAOYSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)cn2)C1 ZINC000898043288 584080377 /nfs/dbraw/zinc/08/03/77/584080377.db2.gz KWQFHYDRGTXRNR-NWDGAFQWSA-N 1 0 219.332 2.255 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)C1 ZINC000898064502 584081201 /nfs/dbraw/zinc/08/12/01/584081201.db2.gz HGJAKPQQWUZDLK-ZOBORPQBSA-N 1 0 246.354 2.227 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cnn(CC)n1)C1CC1 ZINC000858443060 588955394 /nfs/dbraw/zinc/95/53/94/588955394.db2.gz FILLFOUOAHJNSX-ZDUSSCGKSA-N 1 0 234.347 2.132 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@H](O)C2CC2)ccc1C#N ZINC000898204247 584090877 /nfs/dbraw/zinc/09/08/77/584090877.db2.gz QUTZHJWNOSAUGJ-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000898200613 584099358 /nfs/dbraw/zinc/09/93/58/584099358.db2.gz ZGFHZHRWVDAJRO-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](O)C2CC2)C1 ZINC000898200616 584099424 /nfs/dbraw/zinc/09/94/24/584099424.db2.gz ZGFHZHRWVDAJRO-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H]1COC(C)(C)O1 ZINC000898245248 584100675 /nfs/dbraw/zinc/10/06/75/584100675.db2.gz YXDTUSNPEYKVJR-LBPRGKRZSA-N 1 0 227.348 2.426 20 30 BEEDRO Cc1ncccc1CC[NH2+]Cc1ccc(C#N)o1 ZINC000898256668 584106400 /nfs/dbraw/zinc/10/64/00/584106400.db2.gz DXWZGBHMQMARDO-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO CN(Cc1ccc(C#N)o1)CC(C)(C)C[NH+](C)C ZINC000898307692 584109492 /nfs/dbraw/zinc/10/94/92/584109492.db2.gz FLGAYKACHDLREA-UHFFFAOYSA-N 1 0 249.358 2.171 20 30 BEEDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000898314332 584110851 /nfs/dbraw/zinc/11/08/51/584110851.db2.gz USTMJSLOLCKAIC-MJBXVCDLSA-N 1 0 237.391 2.245 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cs1 ZINC000898376164 584113931 /nfs/dbraw/zinc/11/39/31/584113931.db2.gz KUQJSCLGIRZVBB-QWHCGFSZSA-N 1 0 248.351 2.134 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2COC[C@H]2C2CC2)C1 ZINC000898381689 584114550 /nfs/dbraw/zinc/11/45/50/584114550.db2.gz KYHKTEIQPUVPLU-SAXRGWBVSA-N 1 0 234.343 2.083 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1ccnn1C ZINC000866612610 584120883 /nfs/dbraw/zinc/12/08/83/584120883.db2.gz ABMVIIGIQKPNJM-TUAOUCFPSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CC=C(C(=O)OC)C1 ZINC000858472131 588958438 /nfs/dbraw/zinc/95/84/38/588958438.db2.gz GTFFACXTGGSHQN-JQWIXIFHSA-N 1 0 223.316 2.193 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000898456737 584136731 /nfs/dbraw/zinc/13/67/31/584136731.db2.gz DFZJPFPKCCZBJU-UHFFFAOYSA-N 1 0 227.739 2.436 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1nccn1CC(F)(F)F ZINC000898457414 584137210 /nfs/dbraw/zinc/13/72/10/584137210.db2.gz NOPGEQAZQMPLPU-UHFFFAOYSA-N 1 0 247.264 2.500 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc(Cl)n1C ZINC000898460014 584137225 /nfs/dbraw/zinc/13/72/25/584137225.db2.gz ATGRFMVPOCUWDW-UHFFFAOYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000898460274 584137377 /nfs/dbraw/zinc/13/73/77/584137377.db2.gz JKURLFDKVOSGPT-UHFFFAOYSA-N 1 0 223.272 2.120 20 30 BEEDRO C=CC(C)(C)[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000898460543 584138058 /nfs/dbraw/zinc/13/80/58/584138058.db2.gz NNPKYAHYHRDQOR-QWRGUYRKSA-N 1 0 243.322 2.174 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])N[C@@H](C)C2CC2)c1 ZINC000899272673 584191906 /nfs/dbraw/zinc/19/19/06/584191906.db2.gz MERGGFWIAPOHAF-NSHDSACASA-N 1 0 241.338 2.080 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000858551384 588964885 /nfs/dbraw/zinc/96/48/85/588964885.db2.gz DBWDLDIKLOBSKW-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858579630 588968832 /nfs/dbraw/zinc/96/88/32/588968832.db2.gz HEBAJPYMCRZKMY-RYUDHWBXSA-N 1 0 242.363 2.119 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccccc1 ZINC000899904747 584251492 /nfs/dbraw/zinc/25/14/92/584251492.db2.gz QPWVAZKMCUEFNT-ZDUSSCGKSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899921449 584256690 /nfs/dbraw/zinc/25/66/90/584256690.db2.gz XBPZEYDURSLDPV-UONOGXRCSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000900016751 584266781 /nfs/dbraw/zinc/26/67/81/584266781.db2.gz ZTTPDMNKABGMRD-GHMZBOCLSA-N 1 0 235.331 2.291 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC1CC1)C(C)C ZINC000900181616 584283216 /nfs/dbraw/zinc/28/32/16/584283216.db2.gz MLRAXGDQAXAKAD-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)CCC ZINC000900416483 584306615 /nfs/dbraw/zinc/30/66/15/584306615.db2.gz FNANSXCRWDDGLX-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)Cn1cc(C[NH+](C(C)C)C(C)C)nn1 ZINC000900500922 584319351 /nfs/dbraw/zinc/31/93/51/584319351.db2.gz DKZWKVDIGBWLNL-UHFFFAOYSA-N 1 0 236.363 2.473 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C)(C)CC1 ZINC000900517850 584320731 /nfs/dbraw/zinc/32/07/31/584320731.db2.gz ZVQILVSZSRFTCK-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCN(C(=O)c1ccc(C)nc1NC)C(C)C ZINC000900565435 584325474 /nfs/dbraw/zinc/32/54/74/584325474.db2.gz BROOZRMKVUROEZ-UHFFFAOYSA-N 1 0 247.342 2.468 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC1(C)CCCC1 ZINC000900632349 584334171 /nfs/dbraw/zinc/33/41/71/584334171.db2.gz BTIGXDNEEGAGND-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC1(CC)CCC1 ZINC000900992064 584374303 /nfs/dbraw/zinc/37/43/03/584374303.db2.gz SSFCMLFUUYHWTF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C1CCC(C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000901328091 584423772 /nfs/dbraw/zinc/42/37/72/584423772.db2.gz YWJDQTPVSQFWSX-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(F)c(F)c2)C[N@@H+]1C ZINC000901317186 584429447 /nfs/dbraw/zinc/42/94/47/584429447.db2.gz GQQLXKMWRCFLDU-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000901641915 584473615 /nfs/dbraw/zinc/47/36/15/584473615.db2.gz FJOQHQIDFUOYBH-NSHDSACASA-N 1 0 219.332 2.456 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000901670637 584477958 /nfs/dbraw/zinc/47/79/58/584477958.db2.gz YRHMJFVHGVKQQG-FVCCEPFGSA-N 1 0 217.316 2.208 20 30 BEEDRO C=CCC[C@@H](NCC1([NH3+])CC1)c1ccco1 ZINC000902406467 584573719 /nfs/dbraw/zinc/57/37/19/584573719.db2.gz MKWJGSXEVHETAO-LLVKDONJSA-N 1 0 220.316 2.368 20 30 BEEDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902478955 584603679 /nfs/dbraw/zinc/60/36/79/584603679.db2.gz ZCWIACNBOAGVHT-QPKOPYBWSA-N 1 0 241.338 2.102 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccccc1NCC ZINC000902481398 584623964 /nfs/dbraw/zinc/62/39/64/584623964.db2.gz CITBGWSTODEMLF-CYBMUJFWSA-N 1 0 234.343 2.145 20 30 BEEDRO C=CCC1([NH2+]Cc2cn(CC)cn2)CCOCC1 ZINC000902617881 584643986 /nfs/dbraw/zinc/64/39/86/584643986.db2.gz VOBYUMFNSNSDKW-UHFFFAOYSA-N 1 0 249.358 2.118 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000801929130 584655846 /nfs/dbraw/zinc/65/58/46/584655846.db2.gz GHFAAERTCSPOBW-TZMCWYRMSA-N 1 0 247.342 2.091 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1cccc(C#N)c1 ZINC000902719993 584659215 /nfs/dbraw/zinc/65/92/15/584659215.db2.gz BHGPZYVZVYMZOI-UONOGXRCSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCO)[C@@]1(C)CCCCO1 ZINC000902720188 584659596 /nfs/dbraw/zinc/65/95/96/584659596.db2.gz FPBLFHYZKLVQPC-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO CCOCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720531 584659839 /nfs/dbraw/zinc/65/98/39/584659839.db2.gz KFASBLJAJGRDKD-LLVKDONJSA-N 1 0 233.315 2.030 20 30 BEEDRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720545 584659916 /nfs/dbraw/zinc/65/99/16/584659916.db2.gz KZTJVPYGEWHZEL-NXEZZACHSA-N 1 0 203.289 2.402 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902761808 584666248 /nfs/dbraw/zinc/66/62/48/584666248.db2.gz AEVDJTJKAIWMCU-AAEUAGOBSA-N 1 0 247.342 2.011 20 30 BEEDRO COCC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902784698 584666456 /nfs/dbraw/zinc/66/64/56/584666456.db2.gz XOWLFDRBURZAAV-WDEREUQCSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000902766356 584666799 /nfs/dbraw/zinc/66/67/99/584666799.db2.gz ITDATDWQTUKHJO-WCQYABFASA-N 1 0 245.326 2.173 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902801822 584670638 /nfs/dbraw/zinc/67/06/38/584670638.db2.gz FNHSRYHMELFQQY-BXUZGUMPSA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902802471 584670674 /nfs/dbraw/zinc/67/06/74/584670674.db2.gz OHLGPHVLVXOZIY-MJVIPROJSA-N 1 0 247.342 2.011 20 30 BEEDRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902808511 584671844 /nfs/dbraw/zinc/67/18/44/584671844.db2.gz JXNMDQPJTMFOLC-UWVGGRQHSA-N 1 0 235.356 2.355 20 30 BEEDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902786621 584672181 /nfs/dbraw/zinc/67/21/81/584672181.db2.gz QOIULRIMBBHSBV-WDEREUQCSA-N 1 0 233.315 2.029 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902822419 584676345 /nfs/dbraw/zinc/67/63/45/584676345.db2.gz WYZWSCJIDJKSPX-DGCLKSJQSA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@H]([NH2+]C1CCC1)c1cc(C#N)ccn1 ZINC000902860593 584685798 /nfs/dbraw/zinc/68/57/98/584685798.db2.gz VKQKBSZKTGQIFQ-VIFPVBQESA-N 1 0 201.273 2.156 20 30 BEEDRO C[C@@H]([NH2+]C1CC(C)C1)c1cc(C#N)ccn1 ZINC000902875932 584687397 /nfs/dbraw/zinc/68/73/97/584687397.db2.gz PYFXFQNNWFHPCK-SQLBVSGCSA-N 1 0 215.300 2.402 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1CCOC1)c1cccc(C#N)c1 ZINC000902886322 584689035 /nfs/dbraw/zinc/68/90/35/584689035.db2.gz MOEUEDQRLJNBKK-UONOGXRCSA-N 1 0 230.311 2.388 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902888034 584689643 /nfs/dbraw/zinc/68/96/43/584689643.db2.gz PKCRVUOSDCUUAL-GFCCVEGCSA-N 1 0 245.326 2.197 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902891927 584690364 /nfs/dbraw/zinc/69/03/64/584690364.db2.gz FBEICTCXHHGFDC-NTZNESFSSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@H]([NH2+]CCCCCCO)c1cc(C#N)ccn1 ZINC000902896938 584691149 /nfs/dbraw/zinc/69/11/49/584691149.db2.gz NLKFXDQSHIQFJR-LBPRGKRZSA-N 1 0 247.342 2.157 20 30 BEEDRO COC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CCC1 ZINC000902944181 584696103 /nfs/dbraw/zinc/69/61/03/584696103.db2.gz CXDFWSWEMNWOHD-LLVKDONJSA-N 1 0 245.326 2.173 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902965953 584701797 /nfs/dbraw/zinc/70/17/97/584701797.db2.gz AZIMXVLTKODGKC-GARJFASQSA-N 1 0 233.315 2.027 20 30 BEEDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902951978 584704643 /nfs/dbraw/zinc/70/46/43/584704643.db2.gz RTGZBQACMRQPBB-VXGBXAGGSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc(C#N)ccn1 ZINC000902978803 584707851 /nfs/dbraw/zinc/70/78/51/584707851.db2.gz KIIOWJUURXLYRF-NSHDSACASA-N 1 0 240.310 2.298 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903015968 584713259 /nfs/dbraw/zinc/71/32/59/584713259.db2.gz HWFFBDQOJWBAAJ-NTZNESFSSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902975082 584713418 /nfs/dbraw/zinc/71/34/18/584713418.db2.gz CDZHQQPYBPXPNE-PWSUYJOCSA-N 1 0 247.367 2.357 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)O ZINC000903000397 584715566 /nfs/dbraw/zinc/71/55/66/584715566.db2.gz JRTAITSDASVKPW-GXFFZTMASA-N 1 0 247.342 2.153 20 30 BEEDRO C[C@@H](CCCCO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903006575 584716748 /nfs/dbraw/zinc/71/67/48/584716748.db2.gz KYJCMWLHEJQKGL-RYUDHWBXSA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCCOC1 ZINC000903035333 584719072 /nfs/dbraw/zinc/71/90/72/584719072.db2.gz NJWMINVWQHBHQR-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCCOC1 ZINC000903035334 584719189 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C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(C#N)ccn1 ZINC000903078010 584724587 /nfs/dbraw/zinc/72/45/87/584724587.db2.gz UADRYZBMEWWNFE-DEKYYXRVSA-N 1 0 245.326 2.170 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903073615 584726250 /nfs/dbraw/zinc/72/62/50/584726250.db2.gz RIDYOGZFIKMEJU-WCQYABFASA-N 1 0 247.342 2.155 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@]1(C)CCCO1 ZINC000903101126 584727396 /nfs/dbraw/zinc/72/73/96/584727396.db2.gz ANTLMYUPJXKNCQ-CMPLNLGQSA-N 1 0 210.321 2.083 20 30 BEEDRO COCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000903101833 584727552 /nfs/dbraw/zinc/72/75/52/584727552.db2.gz NJLKDZGUHZULTO-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C#N)cn1 ZINC000903101749 584727557 /nfs/dbraw/zinc/72/75/57/584727557.db2.gz LSCSGLDCRCJHJU-LLVKDONJSA-N 1 0 247.342 2.161 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCO1 ZINC000903108386 584728804 /nfs/dbraw/zinc/72/88/04/584728804.db2.gz BJUPQTDKVVCTAS-STQMWFEESA-N 1 0 234.343 2.394 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903175870 584733109 /nfs/dbraw/zinc/73/31/09/584733109.db2.gz WRBHLXBVQVZJGQ-TZMCWYRMSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903175868 584733150 /nfs/dbraw/zinc/73/31/50/584733150.db2.gz WRBHLXBVQVZJGQ-JSGCOSHPSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903205173 584735999 /nfs/dbraw/zinc/73/59/99/584735999.db2.gz DTXWFMJDXVLCEQ-JSGCOSHPSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903219635 584737700 /nfs/dbraw/zinc/73/77/00/584737700.db2.gz RNVDUBUXPDFYOU-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903219637 584737763 /nfs/dbraw/zinc/73/77/63/584737763.db2.gz RNVDUBUXPDFYOU-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000903255729 584739832 /nfs/dbraw/zinc/73/98/32/584739832.db2.gz ZYLQJHACYUXVET-HTXLXMOSSA-N 1 0 204.317 2.313 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000903255746 584739862 /nfs/dbraw/zinc/73/98/62/584739862.db2.gz ZYLQJHACYUXVET-ZEPSMKPISA-N 1 0 204.317 2.313 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)C1CC1 ZINC000903301859 584744381 /nfs/dbraw/zinc/74/43/81/584744381.db2.gz WERSUMCREACETB-XBFCOCLRSA-N 1 0 222.376 2.413 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1C ZINC000903301802 584744418 /nfs/dbraw/zinc/74/44/18/584744418.db2.gz UJTYIDFMSIFACN-ZIHBUVQPSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cn(C)nc1OC)C1CC1 ZINC000903338607 584751992 /nfs/dbraw/zinc/75/19/92/584751992.db2.gz RXWFHIFDSYBNCP-ZDUSSCGKSA-N 1 0 249.358 2.263 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903332345 584754886 /nfs/dbraw/zinc/75/48/86/584754886.db2.gz RCWBBLPDEYHJNZ-MNOVXSKESA-N 1 0 247.342 2.417 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(CC)C1=O ZINC000903392154 584756295 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584770660 /nfs/dbraw/zinc/77/06/60/584770660.db2.gz SJXLRYGHIHHVIO-UHFFFAOYSA-N 1 0 243.354 2.146 20 30 BEEDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)cc(C#N)c1 ZINC000903476881 584777220 /nfs/dbraw/zinc/77/72/20/584777220.db2.gz MTPYNVXVHXTENJ-TVQRCGJNSA-N 1 0 249.745 2.133 20 30 BEEDRO CC1(C)CCNCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903476147 584777312 /nfs/dbraw/zinc/77/73/12/584777312.db2.gz OLXIKQLUVGSRMJ-UHFFFAOYSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCCN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903569052 584783576 /nfs/dbraw/zinc/78/35/76/584783576.db2.gz VBKMSOMXRLTBCB-NSHDSACASA-N 1 0 234.318 2.339 20 30 BEEDRO CN(CCCCC1(C#N)CCC1)[C@H]1CC[NH2+]C1 ZINC000903716001 584794512 /nfs/dbraw/zinc/79/45/12/584794512.db2.gz FFZFWSLCABSCKV-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C[C@H]1C[C@H]([NH3+])CN1CCCCC1(C#N)CCC1 ZINC000903779458 584799663 /nfs/dbraw/zinc/79/96/63/584799663.db2.gz ZXORAFZQQXTEFK-STQMWFEESA-N 1 0 235.375 2.272 20 30 BEEDRO C=CCCCN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903800110 584801262 /nfs/dbraw/zinc/80/12/62/584801262.db2.gz UJCXPYFWUOEZOJ-QWHCGFSZSA-N 1 0 208.349 2.156 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCC[C@]23CC[NH2+]C3)CC1 ZINC000903871341 584815241 /nfs/dbraw/zinc/81/52/41/584815241.db2.gz SLBIDHFMROBJQE-YMAMQOFZSA-N 1 0 247.386 2.144 20 30 BEEDRO C=C[C@H]1CCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903914746 584819234 /nfs/dbraw/zinc/81/92/34/584819234.db2.gz VUADETKZIDTJCT-UWVGGRQHSA-N 1 0 218.291 2.009 20 30 BEEDRO C=C1CC(C)(c2noc(C[C@H]3CC[N@@H+](C)C3)n2)C1 ZINC000904110811 584841497 /nfs/dbraw/zinc/84/14/97/584841497.db2.gz HPCVROLKKHYMRC-LLVKDONJSA-N 1 0 247.342 2.172 20 30 BEEDRO CCCCCCN(O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000904204982 584852368 /nfs/dbraw/zinc/85/23/68/584852368.db2.gz WZSMQBJTDAZXRY-VXGBXAGGSA-N 1 0 242.363 2.125 20 30 BEEDRO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H](C#N)C1 ZINC000904388142 584877867 /nfs/dbraw/zinc/87/78/67/584877867.db2.gz DYCLYHLQOIMRAF-OLZOCXBDSA-N 1 0 237.391 2.376 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccc(C)cc1 ZINC000876545854 584886130 /nfs/dbraw/zinc/88/61/30/584886130.db2.gz WIWCRMQBHOVAFK-NSHDSACASA-N 1 0 238.718 2.403 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876952549 584888185 /nfs/dbraw/zinc/88/81/85/584888185.db2.gz SSBXJHRLTQUPMK-NWDGAFQWSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876952550 584888192 /nfs/dbraw/zinc/88/81/92/584888192.db2.gz SSBXJHRLTQUPMK-RYUDHWBXSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876952551 584888213 /nfs/dbraw/zinc/88/82/13/584888213.db2.gz SSBXJHRLTQUPMK-VXGBXAGGSA-N 1 0 238.375 2.222 20 30 BEEDRO CC(=NNC1CC1)c1ccc(C[NH+](C)C)cc1 ZINC000814903596 584893543 /nfs/dbraw/zinc/89/35/43/584893543.db2.gz QTWRKPGVZOOMQC-UHFFFAOYSA-N 1 0 231.343 2.224 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1C[C@H]1C ZINC000840746409 584904499 /nfs/dbraw/zinc/90/44/99/584904499.db2.gz CYBDRZGAAIMVIU-SWHYSGLUSA-N 1 0 229.327 2.477 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C(C)C ZINC000731354421 584925460 /nfs/dbraw/zinc/92/54/60/584925460.db2.gz OKEQZFOQYUIVJL-UHFFFAOYSA-N 1 0 246.354 2.443 20 30 BEEDRO CC(CCCC[NH+](C)C)=NOC[C@H]1CCOC1 ZINC000788036503 584927650 /nfs/dbraw/zinc/92/76/50/584927650.db2.gz KLQLLINYCBSGOB-ZDUSSCGKSA-N 1 0 242.363 2.147 20 30 BEEDRO C=CCN1CCC[C@@H]1C(=O)OCc1ccccc1 ZINC000731668469 584928178 /nfs/dbraw/zinc/92/81/78/584928178.db2.gz RCXLWQAIZABZMF-CQSZACIVSA-N 1 0 245.322 2.380 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000766895984 584944433 /nfs/dbraw/zinc/94/44/33/584944433.db2.gz UXOZCMJLRXDSSZ-GFCCVEGCSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000766895980 584944452 /nfs/dbraw/zinc/94/44/52/584944452.db2.gz UWHSSEIWRKPQNC-CYBMUJFWSA-N 1 0 231.343 2.013 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@@H](C(C)C)CC1=O ZINC000736582938 585006825 /nfs/dbraw/zinc/00/68/25/585006825.db2.gz LHZJNUCZSPQTNV-ZDUSSCGKSA-N 1 0 238.375 2.346 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+]1CCCOCC1 ZINC000352319285 585013908 /nfs/dbraw/zinc/01/39/08/585013908.db2.gz HXIQQCCPXRRIKA-UHFFFAOYSA-N 1 0 247.338 2.474 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000111689933 585022669 /nfs/dbraw/zinc/02/26/69/585022669.db2.gz WBVVDYCAWZQSDQ-OAHLLOKOSA-N 1 0 242.322 2.359 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000774157037 585027240 /nfs/dbraw/zinc/02/72/40/585027240.db2.gz GOVCJWUCLXRMKV-JHJVBQTASA-N 1 0 244.342 2.080 20 30 BEEDRO C#CCCCOC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000838464553 585058895 /nfs/dbraw/zinc/05/88/95/585058895.db2.gz QCNWXFNYNHZMIH-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO CCOC(=O)CC(C)(C)CN(C)C[C@H](C)C#N ZINC000838800310 585069214 /nfs/dbraw/zinc/06/92/14/585069214.db2.gz XKZZCSQGBGMTGA-LLVKDONJSA-N 1 0 240.347 2.057 20 30 BEEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000838914184 585077965 /nfs/dbraw/zinc/07/79/65/585077965.db2.gz BYJYLAPUFOFOIJ-HUUCEWRRSA-N 1 0 244.338 2.392 20 30 BEEDRO C=CC[N@@H+](C)CC(C)(C)CC(=O)OCC ZINC000839020874 585087704 /nfs/dbraw/zinc/08/77/04/585087704.db2.gz QFLRWVQGQCJUHO-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO CCCCCCC[NH2+][C@H](CO)c1ccnn1C ZINC000839185906 585096666 /nfs/dbraw/zinc/09/66/66/585096666.db2.gz FFKRICJDZXOSMA-GFCCVEGCSA-N 1 0 239.363 2.014 20 30 BEEDRO C#C[C@H]1COCC[N@H+]1C[C@H](C)C(C)(C)C ZINC000839189004 585097132 /nfs/dbraw/zinc/09/71/32/585097132.db2.gz MQIBMTKSCGGFGM-RYUDHWBXSA-N 1 0 209.333 2.003 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@@H]1CCC=CO1 ZINC000839162508 585098166 /nfs/dbraw/zinc/09/81/66/585098166.db2.gz ALVZHZHHQMWVLB-NSHDSACASA-N 1 0 208.305 2.209 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000839201499 585099450 /nfs/dbraw/zinc/09/94/50/585099450.db2.gz MFBLNOMSWGRKJX-LSDHHAIUSA-N 1 0 235.371 2.273 20 30 BEEDRO C=CC[N@H+](CC1CCCCC1)[C@H]1CCOC1=O ZINC000839489629 585105375 /nfs/dbraw/zinc/10/53/75/585105375.db2.gz OTWRZCILLINCKO-ZDUSSCGKSA-N 1 0 237.343 2.370 20 30 BEEDRO C[C@H](C(=O)OCCCC#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741015449 585109084 /nfs/dbraw/zinc/10/90/84/585109084.db2.gz BKDSIYWICQJKJL-GRYCIOLGSA-N 1 0 238.331 2.095 20 30 BEEDRO C=CCCOC(=O)[C@H](CC)[NH+](CC)CC ZINC000741033890 585109872 /nfs/dbraw/zinc/10/98/72/585109872.db2.gz VMTJAEUSBQQNOG-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO CCC(=NNCC[NH+]1CCCCC1)C1CC1 ZINC000741162924 585110640 /nfs/dbraw/zinc/11/06/40/585110640.db2.gz KBUHOVKYUWYPSE-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO CC1=CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886186223 585110926 /nfs/dbraw/zinc/11/09/26/585110926.db2.gz SOGCDUQPSPXLDK-ZDUSSCGKSA-N 1 0 234.343 2.083 20 30 BEEDRO CC[N@@H+]1CCC(N=NCc2ccccc2)[C@H](C)C1 ZINC000741457033 585113991 /nfs/dbraw/zinc/11/39/91/585113991.db2.gz REDZQCRGNLFTMK-CYBMUJFWSA-N 1 0 245.370 2.494 20 30 BEEDRO C[C@@H]1CC(=NNCc2ccccc2)CC[N@@H+]1C ZINC000741456534 585114031 /nfs/dbraw/zinc/11/40/31/585114031.db2.gz PYYXRRMMKSIRRK-GFCCVEGCSA-N 1 0 231.343 2.246 20 30 BEEDRO CCC(CC)NN=C1CC[N@H+](CC)C[C@H]1C ZINC000741460883 585114333 /nfs/dbraw/zinc/11/43/33/585114333.db2.gz RCWTWKKPGFIVFL-LLVKDONJSA-N 1 0 225.380 2.482 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](OCC)C2CC2)C1 ZINC000886366027 585134903 /nfs/dbraw/zinc/13/49/03/585134903.db2.gz VLETVTHSBLTVLT-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC#N)c1 ZINC000743714612 585138904 /nfs/dbraw/zinc/13/89/04/585138904.db2.gz HNRMFFRGHOEDLZ-LBPRGKRZSA-N 1 0 245.326 2.215 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000744200587 585146149 /nfs/dbraw/zinc/14/61/49/585146149.db2.gz LHLGYRRUKWKHAQ-ZDUSSCGKSA-N 1 0 201.269 2.162 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CCOCC1 ZINC000746400909 585167864 /nfs/dbraw/zinc/16/78/64/585167864.db2.gz MXCLUYGHHLSERT-JSGCOSHPSA-N 1 0 249.358 2.225 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOCc1cccnc1 ZINC000746585854 585170342 /nfs/dbraw/zinc/17/03/42/585170342.db2.gz MRLATGALPDUGSQ-NSHDSACASA-N 1 0 245.326 2.068 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)C[C@@H]1CCCO1 ZINC000886667486 585172493 /nfs/dbraw/zinc/17/24/93/585172493.db2.gz BJOCQHZPLQUYGT-XUXIUFHCSA-N 1 0 241.375 2.107 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000886663343 585172527 /nfs/dbraw/zinc/17/25/27/585172527.db2.gz YQWVHCVRYUENAG-LSDHHAIUSA-N 1 0 246.398 2.396 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886680266 585172681 /nfs/dbraw/zinc/17/26/81/585172681.db2.gz AABIVXUQLNNGRK-GFCCVEGCSA-N 1 0 217.316 2.232 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000747113031 585174772 /nfs/dbraw/zinc/17/47/72/585174772.db2.gz QKQMZXSWSRPWCY-VIFPVBQESA-N 1 0 233.142 2.416 20 30 BEEDRO COC[C@@H](C)ON=C(N)c1ccc(Cl)cc1 ZINC000748097195 585186932 /nfs/dbraw/zinc/18/69/32/585186932.db2.gz FXDUZGZULSGLLT-MRVPVSSYSA-N 1 0 242.706 2.012 20 30 BEEDRO COc1ccc(N=NC2C[C@H](C)[N@H+](C)C2)cc1 ZINC000750922387 585222219 /nfs/dbraw/zinc/22/22/19/585222219.db2.gz OQZDGMWHDGNXIL-JTQLQIEISA-N 1 0 233.315 2.187 20 30 BEEDRO Cc1cccc(N=NC2C[N@@H+](C)C[C@@H]2C)c1 ZINC000752158432 585242939 /nfs/dbraw/zinc/24/29/39/585242939.db2.gz XQEPRSPPZCAYRS-NSHDSACASA-N 1 0 217.316 2.344 20 30 BEEDRO COc1cccc(N=NC2C[N@H+](C)C[C@@H]2C)c1 ZINC000752163504 585243257 /nfs/dbraw/zinc/24/32/57/585243257.db2.gz ZGTXQDQDJCIYDD-JTQLQIEISA-N 1 0 233.315 2.045 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(Cl)nc1 ZINC000752165286 585243300 /nfs/dbraw/zinc/24/33/00/585243300.db2.gz IEBMEWXAVBENRP-MRVPVSSYSA-N 1 0 238.722 2.084 20 30 BEEDRO CC(CC1CC1)=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753933918 585272131 /nfs/dbraw/zinc/27/21/31/585272131.db2.gz GCZGRWPHODWYDG-TXEJJXNPSA-N 1 0 234.347 2.022 20 30 BEEDRO CC1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000753934690 585272255 /nfs/dbraw/zinc/27/22/55/585272255.db2.gz JUTFBEBBFMXBQZ-VGPLMAKISA-N 1 0 248.374 2.413 20 30 BEEDRO CCC(CC)=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753932986 585272305 /nfs/dbraw/zinc/27/23/05/585272305.db2.gz AEYCSRMWGWCPSD-PHIMTYICSA-N 1 0 222.336 2.022 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CCC2)C1 ZINC000886980943 585282891 /nfs/dbraw/zinc/28/28/91/585282891.db2.gz OWGCQPLJOAUHNV-STQMWFEESA-N 1 0 248.370 2.354 20 30 BEEDRO C=CCCC[N@@H+](C)CCC1OCCCO1 ZINC000754654629 585288807 /nfs/dbraw/zinc/28/88/07/585288807.db2.gz WXZFKNQNCBYXIK-UHFFFAOYSA-N 1 0 213.321 2.038 20 30 BEEDRO Cc1ccnc(N=NC2C[N@H+](C3CC3)C[C@H]2C)c1 ZINC000755902445 585309734 /nfs/dbraw/zinc/30/97/34/585309734.db2.gz MEEMJVMNSPGGJS-LLVKDONJSA-N 1 0 244.342 2.272 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000756123269 585314844 /nfs/dbraw/zinc/31/48/44/585314844.db2.gz ZMGADZLCTFLURU-AWEZNQCLSA-N 1 0 228.339 2.268 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000756123270 585315013 /nfs/dbraw/zinc/31/50/13/585315013.db2.gz ZMGADZLCTFLURU-CQSZACIVSA-N 1 0 228.339 2.268 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1(C)CCCC1 ZINC000756552860 585320873 /nfs/dbraw/zinc/32/08/73/585320873.db2.gz LMMPBGYTNPOTCZ-ZDUSSCGKSA-N 1 0 249.354 2.208 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H](C)C1CC1 ZINC000756556212 585321023 /nfs/dbraw/zinc/32/10/23/585321023.db2.gz SUMJAYRRIRIPJH-GXTWGEPZSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCC(C)C ZINC000756544821 585321088 /nfs/dbraw/zinc/32/10/88/585321088.db2.gz RUHUJLMBIMRYBS-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO CC(CC1CC1)=NNCC[NH+]1CCCCC1 ZINC000756825703 585323975 /nfs/dbraw/zinc/32/39/75/585323975.db2.gz JKSZWGRAQTXOAU-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C=C(Cl)C[NH+]1CCC2(CCOC2)CC1 ZINC000839533364 585328978 /nfs/dbraw/zinc/32/89/78/585328978.db2.gz IKJBZVOYSGXKET-UHFFFAOYSA-N 1 0 215.724 2.241 20 30 BEEDRO N#CC1(CC[N@H+]2C[C@@H]3C[C@]3(CO)C2)CCCCC1 ZINC000839574749 585330509 /nfs/dbraw/zinc/33/05/09/585330509.db2.gz OTYOHCYYDASXRQ-DZGCQCFKSA-N 1 0 248.370 2.165 20 30 BEEDRO C=CCCC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000839575602 585330639 /nfs/dbraw/zinc/33/06/39/585330639.db2.gz BAPRSFKQGRBSAC-CYBMUJFWSA-N 1 0 249.358 2.121 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000839581745 585330936 /nfs/dbraw/zinc/33/09/36/585330936.db2.gz UAYQVRGLVGVZEO-SNVBAGLBSA-N 1 0 223.703 2.202 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@]1(CO)CCC ZINC000839584484 585331035 /nfs/dbraw/zinc/33/10/35/585331035.db2.gz UPWUHSWPURTQNZ-NSHDSACASA-N 1 0 217.740 2.366 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000839558175 585331044 /nfs/dbraw/zinc/33/10/44/585331044.db2.gz RAJDTNFSAQHTBE-YPMHNXCESA-N 1 0 239.746 2.493 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCC#N)[C@H](O)c1ccccc1 ZINC000839600564 585331556 /nfs/dbraw/zinc/33/15/56/585331556.db2.gz FCHTWACOHJSIKE-ZIAGYGMSSA-N 1 0 232.327 2.248 20 30 BEEDRO C#CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000839634015 585332902 /nfs/dbraw/zinc/33/29/02/585332902.db2.gz AOCKVYNALOAMMF-HUUCEWRRSA-N 1 0 229.323 2.208 20 30 BEEDRO C=C(Cl)CN1CCC[C@@](C)(C(=O)OC)C1 ZINC000839668037 585334790 /nfs/dbraw/zinc/33/47/90/585334790.db2.gz WGWXXDFVETZKQU-LLVKDONJSA-N 1 0 231.723 2.014 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000757406409 585334922 /nfs/dbraw/zinc/33/49/22/585334922.db2.gz VOEYMBXOQWBTIS-GHMZBOCLSA-N 1 0 215.724 2.240 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000839678964 585337097 /nfs/dbraw/zinc/33/70/97/585337097.db2.gz BHPMEONNYQHOTN-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@@H+]1CCCC(=NOCc2cccnc2)CC1 ZINC000758120882 585349423 /nfs/dbraw/zinc/34/94/23/585349423.db2.gz VNMMLVPONYXVPU-UHFFFAOYSA-N 1 0 233.315 2.070 20 30 BEEDRO C[C@@H]1CC(=NOCc2ccc(F)cc2)C[N@@H+]1C ZINC000758145193 585350803 /nfs/dbraw/zinc/35/08/03/585350803.db2.gz VHDGTCLXZHMLHG-SNVBAGLBSA-N 1 0 236.290 2.422 20 30 BEEDRO C[C@@H]1C[C@H]1C=[NH+]n1cnnc1-c1ccccc1 ZINC000758374249 585355352 /nfs/dbraw/zinc/35/53/52/585355352.db2.gz PRTMONRNGHKGBH-PWSUYJOCSA-N 1 0 226.283 2.435 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000759073430 585363895 /nfs/dbraw/zinc/36/38/95/585363895.db2.gz YMDQLVKMRPZOTQ-HUUCEWRRSA-N 1 0 244.338 2.322 20 30 BEEDRO C#CCCCC(=O)Nc1ccccc1C[NH+](C)C ZINC000760115916 585385787 /nfs/dbraw/zinc/38/57/87/585385787.db2.gz ZZRIMWKQYIVGCS-UHFFFAOYSA-N 1 0 244.338 2.490 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000760679180 585395291 /nfs/dbraw/zinc/39/52/91/585395291.db2.gz LOCWXTHPOPUBLE-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H](O)c2ccccc2)C1 ZINC000809747259 585395777 /nfs/dbraw/zinc/39/57/77/585395777.db2.gz MWLGAVHQKRSHIN-SNPRPXQTSA-N 1 0 244.338 2.392 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)c2ccccc2)C1 ZINC000809747261 585395943 /nfs/dbraw/zinc/39/59/43/585395943.db2.gz MWLGAVHQKRSHIN-YUELXQCFSA-N 1 0 244.338 2.392 20 30 BEEDRO C#CCCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000760841658 585398944 /nfs/dbraw/zinc/39/89/44/585398944.db2.gz XXFAKIIBNJMSMS-UHFFFAOYSA-N 1 0 234.387 2.206 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000760842750 585399137 /nfs/dbraw/zinc/39/91/37/585399137.db2.gz AKGVXLQUAJCAHC-NWDGAFQWSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000760842957 585399201 /nfs/dbraw/zinc/39/92/01/585399201.db2.gz GIRBGWJNVPMNKF-UHFFFAOYSA-N 1 0 210.708 2.134 20 30 BEEDRO C#CCCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000760857497 585399907 /nfs/dbraw/zinc/39/99/07/585399907.db2.gz QBIKOGFOAUOABO-QLFBSQMISA-N 1 0 234.387 2.347 20 30 BEEDRO C#CCCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000760857498 585399955 /nfs/dbraw/zinc/39/99/55/585399955.db2.gz QBIKOGFOAUOABO-ZNMIVQPWSA-N 1 0 234.387 2.347 20 30 BEEDRO C#CCCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000760857496 585400185 /nfs/dbraw/zinc/40/01/85/585400185.db2.gz QBIKOGFOAUOABO-KKUMJFAQSA-N 1 0 234.387 2.347 20 30 BEEDRO C#CCC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000760864307 585400228 /nfs/dbraw/zinc/40/02/28/585400228.db2.gz ZOZJLSVCFSHVRR-OAHLLOKOSA-N 1 0 239.322 2.237 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000761107372 585409876 /nfs/dbraw/zinc/40/98/76/585409876.db2.gz DVWWJMPEPNNYJE-CQSZACIVSA-N 1 0 231.339 2.372 20 30 BEEDRO Cc1ccc(N=NC2C[C@@H](C)[N@@H+](C)C2)cc1 ZINC000761795360 585418756 /nfs/dbraw/zinc/41/87/56/585418756.db2.gz ZICJSHXNZALNBF-LLVKDONJSA-N 1 0 217.316 2.487 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc(C#N)c2)C[N@@H+]1C ZINC000761803379 585419037 /nfs/dbraw/zinc/41/90/37/585419037.db2.gz AKXVKELWMUKPCD-JTQLQIEISA-N 1 0 228.299 2.050 20 30 BEEDRO C[C@H]1CC(N=Nc2cc(F)cc(F)c2)C[N@@H+]1C ZINC000761810818 585419253 /nfs/dbraw/zinc/41/92/53/585419253.db2.gz DCPOPXGDXIVLGQ-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO COCC#CCSCC[NH+](C(C)C)C(C)C ZINC000762507989 585433581 /nfs/dbraw/zinc/43/35/81/585433581.db2.gz GJLUCXWNXIDGPK-UHFFFAOYSA-N 1 0 243.416 2.488 20 30 BEEDRO CCC(=NNC(N)=[NH2+])c1cccc(Cl)c1F ZINC000763408192 585447946 /nfs/dbraw/zinc/44/79/46/585447946.db2.gz OAEXAFYOKRDPNU-UHFFFAOYSA-N 1 0 242.685 2.076 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCC(C)C ZINC000764074865 585459347 /nfs/dbraw/zinc/45/93/47/585459347.db2.gz KCXUKIFVWPGMAG-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCc1ccc(C)cc1C ZINC000764149259 585461084 /nfs/dbraw/zinc/46/10/84/585461084.db2.gz IUPCDPRYZDBSJB-UHFFFAOYSA-N 1 0 246.354 2.037 20 30 BEEDRO C#CCC[N@H+](C)CCOc1ccc(C)cc1 ZINC000764230344 585462052 /nfs/dbraw/zinc/46/20/52/585462052.db2.gz HYWVVFNRDJOLSH-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO Fc1cccc(N=NC2CC[N@@H+]3CCC[C@H]23)c1 ZINC000765570512 585489817 /nfs/dbraw/zinc/48/98/17/585489817.db2.gz CFSZFJJBMIGRMT-CYBMUJFWSA-N 1 0 233.290 2.462 20 30 BEEDRO c1ccc(CON=C2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765572893 585490105 /nfs/dbraw/zinc/49/01/05/585490105.db2.gz PJKYXHUGFOZLCA-CQSZACIVSA-N 1 0 230.311 2.427 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC000765924895 585493447 /nfs/dbraw/zinc/49/34/47/585493447.db2.gz AHXNNIMDCGKRNV-QWHCGFSZSA-N 1 0 245.326 2.132 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]1CN1CCCCC1 ZINC000766895498 585509314 /nfs/dbraw/zinc/50/93/14/585509314.db2.gz KQHRTPYSFRYPDE-HNNXBMFYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCCOC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000766898549 585509719 /nfs/dbraw/zinc/50/97/19/585509719.db2.gz DKFOGIMSANSPHA-UPJWGTAASA-N 1 0 237.343 2.204 20 30 BEEDRO C#CCCC[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000766941767 585512080 /nfs/dbraw/zinc/51/20/80/585512080.db2.gz QUUCVWSGPAISPI-LBPRGKRZSA-N 1 0 244.329 2.061 20 30 BEEDRO C#CCCC[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000766941764 585512272 /nfs/dbraw/zinc/51/22/72/585512272.db2.gz QUUCVWSGPAISPI-GFCCVEGCSA-N 1 0 244.329 2.061 20 30 BEEDRO CC1(C)C(N=NC(N)=[NH2+])C[C@@H]1c1ccccc1 ZINC000768486770 585539326 /nfs/dbraw/zinc/53/93/26/585539326.db2.gz RGCSOPWDZMSQIG-SNVBAGLBSA-N 1 0 230.315 2.039 20 30 BEEDRO C=CC[N@H+](Cc1cn(C)nc1C)C(C)C ZINC000768548150 585540263 /nfs/dbraw/zinc/54/02/63/585540263.db2.gz XAQGMTKDZAPIOH-UHFFFAOYSA-N 1 0 207.321 2.125 20 30 BEEDRO C=CCN1CCC([NH2+]C2CC(C(F)F)C2)CC1 ZINC000768675956 585541542 /nfs/dbraw/zinc/54/15/42/585541542.db2.gz YKSRTCALDZIRJW-UHFFFAOYSA-N 1 0 244.329 2.270 20 30 BEEDRO Cc1cccc(F)c1N=NC1C[N@@H+](C)C[C@H]1C ZINC000769840143 585565082 /nfs/dbraw/zinc/56/50/82/585565082.db2.gz IDFSWINOUIETHL-SNVBAGLBSA-N 1 0 235.306 2.484 20 30 BEEDRO C[C@](O)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000769845166 585565120 /nfs/dbraw/zinc/56/51/20/585565120.db2.gz ADSSIVQIFWHHFZ-CFVMTHIKSA-N 1 0 244.338 2.176 20 30 BEEDRO C[C@](O)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000769845169 585565237 /nfs/dbraw/zinc/56/52/37/585565237.db2.gz ADSSIVQIFWHHFZ-QEJZJMRPSA-N 1 0 244.338 2.176 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000769944376 585566996 /nfs/dbraw/zinc/56/69/96/585566996.db2.gz MPGKBODIJADZMV-NXEZZACHSA-N 1 0 247.367 2.414 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCOCc1ccc(OC)cc1 ZINC000769961609 585567569 /nfs/dbraw/zinc/56/75/69/585567569.db2.gz RXENQNJKDCLDQV-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](O)CCCCCC ZINC000769978269 585568357 /nfs/dbraw/zinc/56/83/57/585568357.db2.gz VAAWRKBYMOWRGY-STQMWFEESA-N 1 0 211.349 2.271 20 30 BEEDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000770672565 585579380 /nfs/dbraw/zinc/57/93/80/585579380.db2.gz AIQQTIWULXCXSO-JQWIXIFHSA-N 1 0 246.310 2.183 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@H](CCO)C2CC2)cc1 ZINC000771799720 585600497 /nfs/dbraw/zinc/60/04/97/585600497.db2.gz LIQBTBSKSWSJEN-OAHLLOKOSA-N 1 0 244.338 2.003 20 30 BEEDRO C#CC[N@H+](Cc1cccc(C)n1)C(C)C ZINC000772797923 585624465 /nfs/dbraw/zinc/62/44/65/585624465.db2.gz KEXPJKXODRWUMK-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccc1 ZINC000773108394 585631402 /nfs/dbraw/zinc/63/14/02/585631402.db2.gz XQBBIIJGFULZTK-CWRNSKLLSA-N 1 0 242.366 2.291 20 30 BEEDRO C#CCC[N@H+]1CCC[C@]1(CCC)COC ZINC000773963179 585647458 /nfs/dbraw/zinc/64/74/58/585647458.db2.gz JXIZQTFMBRAMSU-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCc2occc21)[C@@H]1CCCO1 ZINC000774364507 585657005 /nfs/dbraw/zinc/65/70/05/585657005.db2.gz QIIGLVRIPYRUST-YDHLFZDLSA-N 1 0 245.322 2.427 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCc2occc21)[C@H]1CCCO1 ZINC000774364506 585657013 /nfs/dbraw/zinc/65/70/13/585657013.db2.gz QIIGLVRIPYRUST-KCQAQPDRSA-N 1 0 245.322 2.427 20 30 BEEDRO CCOCCON=C(C)CCCC[NH+](C)C ZINC000774423197 585658365 /nfs/dbraw/zinc/65/83/65/585658365.db2.gz RIWBHEBXNWQFSP-UHFFFAOYSA-N 1 0 230.352 2.147 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000775055831 585671223 /nfs/dbraw/zinc/67/12/23/585671223.db2.gz FVYYMMLFNAUFSG-GFCCVEGCSA-N 1 0 220.316 2.305 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000775183058 585673173 /nfs/dbraw/zinc/67/31/73/585673173.db2.gz HIOJLUYCCALYTA-GFCCVEGCSA-N 1 0 216.328 2.206 20 30 BEEDRO C#CCCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000775553621 585679637 /nfs/dbraw/zinc/67/96/37/585679637.db2.gz QDIAHUMVSBVZMJ-UHFFFAOYSA-N 1 0 243.306 2.407 20 30 BEEDRO C=C(C)CC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000775622029 585681629 /nfs/dbraw/zinc/68/16/29/585681629.db2.gz ZVJOUQIYKBYAEE-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCC(F)(F)F)[C@H]1CCCO1 ZINC000775788108 585684783 /nfs/dbraw/zinc/68/47/83/585684783.db2.gz CLIKQIDIUFVGAR-GHMZBOCLSA-N 1 0 249.276 2.489 20 30 BEEDRO C#C[C@@H]([NH2+]CCCc1ccccc1)[C@@H]1CCCO1 ZINC000775794843 585685240 /nfs/dbraw/zinc/68/52/40/585685240.db2.gz KOXJJJNVOFJIKR-CVEARBPZSA-N 1 0 243.350 2.390 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000775801741 585685540 /nfs/dbraw/zinc/68/55/40/585685540.db2.gz YUGQHIVQJKEGRT-OLZOCXBDSA-N 1 0 234.343 2.087 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC000776016607 585689078 /nfs/dbraw/zinc/68/90/78/585689078.db2.gz SBLFEYJEPWNKPC-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NOCC(F)(F)F ZINC000776188323 585692357 /nfs/dbraw/zinc/69/23/57/585692357.db2.gz ZPVLOFPRPNYUEY-UHFFFAOYSA-N 1 0 247.220 2.060 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)cc1C)C1CC1 ZINC000776799680 585705713 /nfs/dbraw/zinc/70/57/13/585705713.db2.gz NNWJJLOWYUSKCV-UHFFFAOYSA-N 1 0 224.307 2.464 20 30 BEEDRO CCOCCON=C(C)C[NH+]1CCCCCC1 ZINC000777446215 585711572 /nfs/dbraw/zinc/71/15/72/585711572.db2.gz FRAREGLAXSFLAM-UHFFFAOYSA-N 1 0 242.363 2.291 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000778174203 585726505 /nfs/dbraw/zinc/72/65/05/585726505.db2.gz MFOOQFGFVAXYMN-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000778218931 585727843 /nfs/dbraw/zinc/72/78/43/585727843.db2.gz OOIIDYAPENAQPW-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C=C(C)CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC000778456177 585735400 /nfs/dbraw/zinc/73/54/00/585735400.db2.gz KNORZTVGRVVEDK-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C(C)CCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805612156 585738513 /nfs/dbraw/zinc/73/85/13/585738513.db2.gz YWFYSCXBNWWPOT-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C#C[C@@H](OC(=O)[C@@H](CC)[NH+](CC)CC)C1CC1 ZINC000778691807 585739479 /nfs/dbraw/zinc/73/94/79/585739479.db2.gz DWNIYQXNSFMLNV-CHWSQXEVSA-N 1 0 237.343 2.062 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NO[C@@H]2CCCCO2)C1 ZINC000788437895 585740680 /nfs/dbraw/zinc/74/06/80/585740680.db2.gz XBGKZTFZJFEBLH-CHWSQXEVSA-N 1 0 240.347 2.390 20 30 BEEDRO C=CCN(C)C(=O)C[N@@H+](C)CCCCCC ZINC000779124697 585745417 /nfs/dbraw/zinc/74/54/17/585745417.db2.gz WOVCWJVWCRRIKF-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H](C)CCO)c1ccncc1 ZINC000779405784 585753518 /nfs/dbraw/zinc/75/35/18/585753518.db2.gz SCAOYHFLSYPBPU-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CC[C@H]([NH2+][C@H](C)CCO)c1ccncc1 ZINC000779405787 585753742 /nfs/dbraw/zinc/75/37/42/585753742.db2.gz SCAOYHFLSYPBPU-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO CC(C)=CCCC(C)=NNC1=[NH+][C@@H](C)CN1 ZINC000779801515 585764758 /nfs/dbraw/zinc/76/47/58/585764758.db2.gz UUZQFVOTQHPJDW-NSHDSACASA-N 1 0 222.336 2.046 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCO1 ZINC000859257717 589025374 /nfs/dbraw/zinc/02/53/74/589025374.db2.gz DKHVQTMXPXKPTM-OLZOCXBDSA-N 1 0 221.344 2.193 20 30 BEEDRO CC(=[NH+][N-]c1ccncc1)c1ccc(N)cc1C ZINC000779811718 585766437 /nfs/dbraw/zinc/76/64/37/585766437.db2.gz ROBTXMKJJCDFEL-UHFFFAOYSA-N 1 0 240.310 2.230 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2ccccc2)nc1 ZINC000780557014 585781040 /nfs/dbraw/zinc/78/10/40/585781040.db2.gz RUVGHRKJFNZTQO-UHFFFAOYSA-N 1 0 223.279 2.243 20 30 BEEDRO CCCCCCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000782529343 585819482 /nfs/dbraw/zinc/81/94/82/585819482.db2.gz MCJJZCRTQVHUCG-AWEZNQCLSA-N 1 0 243.391 2.334 20 30 BEEDRO C[C@@H]1CN(C2CC2)CC1=NNCCC(C)(C)C ZINC000782903683 585825939 /nfs/dbraw/zinc/82/59/39/585825939.db2.gz YICZAZUERRFTJU-LLVKDONJSA-N 1 0 237.391 2.482 20 30 BEEDRO CCCC[C@H](COC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299430 585833359 /nfs/dbraw/zinc/83/33/59/585833359.db2.gz CCLLMEBDCFTGAT-CQSZACIVSA-N 1 0 247.342 2.248 20 30 BEEDRO CC[C@H]1CCC[C@H](C=[NH+]n2cnnc2)C1 ZINC000783770695 585842750 /nfs/dbraw/zinc/84/27/50/585842750.db2.gz HOIGPAWLDPFHDM-QWRGUYRKSA-N 1 0 206.293 2.328 20 30 BEEDRO CC[C@@H]1CCC[C@H](C=[NH+]n2cnnc2)C1 ZINC000783770692 585842798 /nfs/dbraw/zinc/84/27/98/585842798.db2.gz HOIGPAWLDPFHDM-MNOVXSKESA-N 1 0 206.293 2.328 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(F)cc1F ZINC000784078316 585848668 /nfs/dbraw/zinc/84/86/68/585848668.db2.gz ALWSASJMUCEWFX-SNVBAGLBSA-N 1 0 239.265 2.265 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccc(C)cc1 ZINC000784164389 585852379 /nfs/dbraw/zinc/85/23/79/585852379.db2.gz WBOLFCBKWYPORN-UHFFFAOYSA-N 1 0 225.335 2.496 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000785478142 585874602 /nfs/dbraw/zinc/87/46/02/585874602.db2.gz MBGDMAHQNXNZSG-STQMWFEESA-N 1 0 243.354 2.255 20 30 BEEDRO C=C[C@](C)(CC)C(=O)OCC[NH+](CC)CC ZINC000785760832 585879960 /nfs/dbraw/zinc/87/99/60/585879960.db2.gz FCGADRFXZZZUCG-CYBMUJFWSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000785828728 585881541 /nfs/dbraw/zinc/88/15/41/585881541.db2.gz ZBRZADUGUMDVPW-QWHCGFSZSA-N 1 0 209.333 2.047 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCC(=O)C1CC1 ZINC000785999370 585884889 /nfs/dbraw/zinc/88/48/89/585884889.db2.gz TZQQYVXFSWKROH-LBPRGKRZSA-N 1 0 207.317 2.396 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000785998633 585885015 /nfs/dbraw/zinc/88/50/15/585885015.db2.gz JKOLYXSLVZMWAE-NWDGAFQWSA-N 1 0 235.327 2.123 20 30 BEEDRO C=CCC[N@@H+](C)CN1C[C@H](CC(C)C)CC1=O ZINC000786102825 585887490 /nfs/dbraw/zinc/88/74/90/585887490.db2.gz WLQJSXBUSVCULC-CYBMUJFWSA-N 1 0 238.375 2.346 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786166375 585887971 /nfs/dbraw/zinc/88/79/71/585887971.db2.gz QRELAXFWVWUVBT-CYBMUJFWSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000786441561 585891714 /nfs/dbraw/zinc/89/17/14/585891714.db2.gz BWIUAPVFIOPLDJ-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C=CCC[N@@H+](C)Cc1c(O)cccc1OC ZINC000786579919 585895375 /nfs/dbraw/zinc/89/53/75/585895375.db2.gz VUUFFVRVBWWJPL-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO CCOCCC=[NH+]n1cnc2ccccc21 ZINC000788422936 585923002 /nfs/dbraw/zinc/92/30/02/585923002.db2.gz ZLOKNSVUSPTVHQ-UHFFFAOYSA-N 1 0 217.272 2.297 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)cc1 ZINC000788852151 585931067 /nfs/dbraw/zinc/93/10/67/585931067.db2.gz DZEIWPUYCMZVAE-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000789507623 585943541 /nfs/dbraw/zinc/94/35/41/585943541.db2.gz SZBDDLOVLYXUIF-CQSZACIVSA-N 1 0 223.360 2.273 20 30 BEEDRO CC1=C[C@@H](C)C[C@H](C=[NH+]n2cnnc2)C1 ZINC000789639141 585947433 /nfs/dbraw/zinc/94/74/33/585947433.db2.gz IEAYOSGRDUSFHD-KOLCDFICSA-N 1 0 204.277 2.104 20 30 BEEDRO CCCN[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790159006 585958958 /nfs/dbraw/zinc/95/89/58/585958958.db2.gz ZKWCFYJZMHSDTR-UHFFFAOYSA-N 1 0 234.347 2.260 20 30 BEEDRO CC[C@H](C)NN=C1CC[N@H+](CC)C[C@@H]1C ZINC000790181950 585959764 /nfs/dbraw/zinc/95/97/64/585959764.db2.gz HCMKFDKHPICYKO-QWRGUYRKSA-N 1 0 211.353 2.092 20 30 BEEDRO Cc1cccnc1N=NC1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000790185228 585960233 /nfs/dbraw/zinc/96/02/33/585960233.db2.gz DSJGWNWAXAVQOK-NSHDSACASA-N 1 0 244.342 2.415 20 30 BEEDRO CC[C@H](C)N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000790190707 585960777 /nfs/dbraw/zinc/96/07/77/585960777.db2.gz PPNSNRWOUJGPKR-NSHDSACASA-N 1 0 219.332 2.475 20 30 BEEDRO Cc1cccnc1N=NC1CC[N@H+](C)[C@@H](C)C1 ZINC000790192890 585960911 /nfs/dbraw/zinc/96/09/11/585960911.db2.gz JEJUMHBARGZHBL-NSHDSACASA-N 1 0 232.331 2.272 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)OCCC[NH+](C)C ZINC000792134712 585996543 /nfs/dbraw/zinc/99/65/43/585996543.db2.gz ZXRNUTNTIZXBCB-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C(C)C ZINC000792206580 585998065 /nfs/dbraw/zinc/99/80/65/585998065.db2.gz OXVYTGQTSAPAHU-LBPRGKRZSA-N 1 0 237.343 2.369 20 30 BEEDRO C#CCC[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000792465164 586001032 /nfs/dbraw/zinc/00/10/32/586001032.db2.gz KPXVYRDGYLPSFN-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCCC[C@H]1CCO ZINC000792927638 586007185 /nfs/dbraw/zinc/00/71/85/586007185.db2.gz QEJOYLCOERNQSN-NSHDSACASA-N 1 0 217.740 2.366 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000793154259 586011922 /nfs/dbraw/zinc/01/19/22/586011922.db2.gz WGKYHCSLBJXVFA-OCCSQVGLSA-N 1 0 245.326 2.000 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000793154257 586011948 /nfs/dbraw/zinc/01/19/48/586011948.db2.gz WGKYHCSLBJXVFA-GXTWGEPZSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@H](C)CON=C1C[NH+]2CCC1CC2 ZINC000793157771 586012000 /nfs/dbraw/zinc/01/20/00/586012000.db2.gz CRFRMQBGLDJJAL-JTQLQIEISA-N 1 0 210.321 2.131 20 30 BEEDRO CC[C@@H](C)CON=C(C)CC[NH+](C)C ZINC000793159418 586012213 /nfs/dbraw/zinc/01/22/13/586012213.db2.gz ORNYMRHRFMPGHS-SNVBAGLBSA-N 1 0 200.326 2.377 20 30 BEEDRO CC(CC[NH+](C)C)N=Nc1cccc(Cl)n1 ZINC000793175575 586013007 /nfs/dbraw/zinc/01/30/07/586013007.db2.gz UBKJAQFTHLEIQV-UHFFFAOYSA-N 1 0 240.738 2.475 20 30 BEEDRO C=C[C@@H](CC)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793185860 586013550 /nfs/dbraw/zinc/01/35/50/586013550.db2.gz LQBRXVMCVDIHRS-LBPRGKRZSA-N 1 0 230.267 2.456 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)n(C)n1 ZINC000793565465 586023412 /nfs/dbraw/zinc/02/34/12/586023412.db2.gz LDOXDIIUCBZHER-LLVKDONJSA-N 1 0 232.331 2.073 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)ncn1)C(C)C ZINC000794274698 586036567 /nfs/dbraw/zinc/03/65/67/586036567.db2.gz HORCOAZAHFVLBU-UHFFFAOYSA-N 1 0 205.305 2.181 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000794607735 586045016 /nfs/dbraw/zinc/04/50/16/586045016.db2.gz DVMQXLFGGOXOTA-MNOVXSKESA-N 1 0 213.271 2.377 20 30 BEEDRO CSCCON=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000794576938 586045204 /nfs/dbraw/zinc/04/52/04/586045204.db2.gz LDDXZCVJCQNWMD-JTQLQIEISA-N 1 0 230.377 2.082 20 30 BEEDRO CC#CC[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794599941 586045390 /nfs/dbraw/zinc/04/53/90/586045390.db2.gz IKRSRVQZQXISFC-CABCVRRESA-N 1 0 231.339 2.358 20 30 BEEDRO C=C(C)CCON=C(N)C[NH+]1CCCCCC1 ZINC000795209777 586072136 /nfs/dbraw/zinc/07/21/36/586072136.db2.gz OSURLAWYZACMAU-UHFFFAOYSA-N 1 0 239.363 2.327 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](OCC)C2CC2)C1 ZINC000859335951 589029574 /nfs/dbraw/zinc/02/95/74/589029574.db2.gz IWLMDHJHFIGRLB-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000796121415 586097676 /nfs/dbraw/zinc/09/76/76/586097676.db2.gz KUKCVRYFZPRMLZ-LBPRGKRZSA-N 1 0 246.310 2.297 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000796573968 586107131 /nfs/dbraw/zinc/10/71/31/586107131.db2.gz FAYPLOXXYWRGJX-ZDUSSCGKSA-N 1 0 226.364 2.154 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)CC1=[NH+]n1cnnc1 ZINC000797399008 586126413 /nfs/dbraw/zinc/12/64/13/586126413.db2.gz YDYDONMAOVTMHD-NXEZZACHSA-N 1 0 206.293 2.328 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000798086834 586136572 /nfs/dbraw/zinc/13/65/72/586136572.db2.gz VNOGRSNUJVGDDA-MJBXVCDLSA-N 1 0 237.343 2.250 20 30 BEEDRO CN(CCC#N)c1ccc(C[NH2+]CCF)cc1 ZINC000798087251 586136726 /nfs/dbraw/zinc/13/67/26/586136726.db2.gz RFLNIZIUVZYPLI-UHFFFAOYSA-N 1 0 235.306 2.096 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798851559 586151556 /nfs/dbraw/zinc/15/15/56/586151556.db2.gz CBXRCJUZZVUZOA-QWRGUYRKSA-N 1 0 213.321 2.080 20 30 BEEDRO COc1ccccc1CON=C1C[N@H+](C)C[C@@H]1C ZINC000799118578 586159239 /nfs/dbraw/zinc/15/92/39/586159239.db2.gz LYUIRHHDRFHJSY-NSHDSACASA-N 1 0 248.326 2.149 20 30 BEEDRO N#CC1(CCC[N@@H+]2CC[C@H]3C[C@H]32)CCOCC1 ZINC000799148400 586161485 /nfs/dbraw/zinc/16/14/85/586161485.db2.gz SKAOVJIGUGRPDZ-QWHCGFSZSA-N 1 0 234.343 2.181 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000799146894 586162293 /nfs/dbraw/zinc/16/22/93/586162293.db2.gz IRCMLISOUMQEGJ-HNNXBMFYSA-N 1 0 236.403 2.310 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)c1ccc(F)cn1 ZINC000799292855 586168862 /nfs/dbraw/zinc/16/88/62/586168862.db2.gz CGXRRTNXXYRNME-CYBMUJFWSA-N 1 0 238.306 2.152 20 30 BEEDRO CCCCCCC[N@H+](CC)[C@@H]1CCNC1=O ZINC000799354375 586173257 /nfs/dbraw/zinc/17/32/57/586173257.db2.gz QXAUPASXEFXYNG-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000799719687 586194082 /nfs/dbraw/zinc/19/40/82/586194082.db2.gz UZTQHVJSUBTTCD-LPWJVIDDSA-N 1 0 248.326 2.373 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000859415040 589035980 /nfs/dbraw/zinc/03/59/80/589035980.db2.gz NYEBBVKTOFEBQO-GARJFASQSA-N 1 0 246.301 2.138 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000859445673 589037584 /nfs/dbraw/zinc/03/75/84/589037584.db2.gz MWAHHEJIYHFQEP-LBPRGKRZSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(OCC)OCC)C1 ZINC000859445912 589037709 /nfs/dbraw/zinc/03/77/09/589037709.db2.gz RMIUHBJLJVTNLE-LBPRGKRZSA-N 1 0 227.348 2.284 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000859446353 589037924 /nfs/dbraw/zinc/03/79/24/589037924.db2.gz XYOHPSXCEGYFPZ-LLVKDONJSA-N 1 0 207.317 2.254 20 30 BEEDRO C[C@H](C#N)OCC[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000801913902 586276390 /nfs/dbraw/zinc/27/63/90/586276390.db2.gz BYUHFYZMMKHYBE-GHMZBOCLSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)CCCc1ccccc1 ZINC000801914175 586276471 /nfs/dbraw/zinc/27/64/71/586276471.db2.gz HOHTXLYYFVFURA-AWEZNQCLSA-N 1 0 246.354 2.480 20 30 BEEDRO C[C@H](C1CC1)[N@@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000801913905 586276800 /nfs/dbraw/zinc/27/68/00/586276800.db2.gz BYUHFYZMMKHYBE-WDEREUQCSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1ccccn1 ZINC000801936225 586278342 /nfs/dbraw/zinc/27/83/42/586278342.db2.gz QTLIEKXETJDGQI-VXGBXAGGSA-N 1 0 233.315 2.003 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000801929127 586278796 /nfs/dbraw/zinc/27/87/96/586278796.db2.gz GHFAAERTCSPOBW-GXTWGEPZSA-N 1 0 247.342 2.091 20 30 BEEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801935957 586279782 /nfs/dbraw/zinc/27/97/82/586279782.db2.gz NQGKBHCWHPPFTP-JSGCOSHPSA-N 1 0 247.342 2.393 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+]C1(c2ccccc2F)CC1 ZINC000801938012 586279952 /nfs/dbraw/zinc/27/99/52/586279952.db2.gz BQVCXRAXDDYGHA-NSHDSACASA-N 1 0 248.301 2.333 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000802012301 586284853 /nfs/dbraw/zinc/28/48/53/586284853.db2.gz JQTUGIGGSIHQLI-LBPRGKRZSA-N 1 0 217.328 2.363 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@H]3CCC[C@@H]3C2=O)CC1 ZINC000839992456 586334835 /nfs/dbraw/zinc/33/48/35/586334835.db2.gz JHVLLOVSMIDSQS-KGLIPLIRSA-N 1 0 248.370 2.100 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859563550 589045441 /nfs/dbraw/zinc/04/54/41/589045441.db2.gz VGTFBVKFGOHCAR-CYBMUJFWSA-N 1 0 200.285 2.146 20 30 BEEDRO C=C(C)CCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000803529708 586365038 /nfs/dbraw/zinc/36/50/38/586365038.db2.gz PGZNDVSOFYYTCB-UHFFFAOYSA-N 1 0 237.343 2.370 20 30 BEEDRO CC[NH+](CC)CCCOC(=O)[C@@](C)(C#N)CC ZINC000803785819 586375093 /nfs/dbraw/zinc/37/50/93/586375093.db2.gz UIQYNUOYHYMCTP-CYBMUJFWSA-N 1 0 240.347 2.201 20 30 BEEDRO C[C@@H](C[NH+](C)C)/N=C/c1cc(Cl)ccc1O ZINC000804599069 586402166 /nfs/dbraw/zinc/40/21/66/586402166.db2.gz UMTUYOJNQIREAW-DUJAKZANSA-N 1 0 240.734 2.415 20 30 BEEDRO C[C@@H](C[NH+](C)C)/N=C\c1cc(Cl)ccc1O ZINC000804599070 586402244 /nfs/dbraw/zinc/40/22/44/586402244.db2.gz UMTUYOJNQIREAW-VUPJLDGMSA-N 1 0 240.734 2.415 20 30 BEEDRO C#CC[NH2+]C(C)(C)c1ccc(OC)c(F)c1 ZINC000859641945 589050097 /nfs/dbraw/zinc/05/00/97/589050097.db2.gz MXYBCTOECDUNCF-UHFFFAOYSA-N 1 0 221.275 2.292 20 30 BEEDRO C=CC[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000808748481 586487463 /nfs/dbraw/zinc/48/74/63/586487463.db2.gz PSTJUSQLKJXNJQ-ZDUSSCGKSA-N 1 0 205.301 2.228 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000809568426 586506860 /nfs/dbraw/zinc/50/68/60/586506860.db2.gz OHHWDWSDFATYRF-OAHLLOKOSA-N 1 0 243.350 2.262 20 30 BEEDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)CC#N)c1 ZINC000809571761 586506984 /nfs/dbraw/zinc/50/69/84/586506984.db2.gz BHAVFNJGAFQDHW-HUUCEWRRSA-N 1 0 244.338 2.407 20 30 BEEDRO N#CC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1 ZINC000809571775 586507141 /nfs/dbraw/zinc/50/71/41/586507141.db2.gz BQZIOAQHQDPETQ-CQSZACIVSA-N 1 0 248.301 2.065 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)Cc2cn[nH]c2)cc1 ZINC000809576938 586507843 /nfs/dbraw/zinc/50/78/43/586507843.db2.gz TVWNZQHFEUETAT-UHFFFAOYSA-N 1 0 225.295 2.023 20 30 BEEDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000809578611 586507878 /nfs/dbraw/zinc/50/78/78/586507878.db2.gz NYEWMHFENSLBMV-MCIONIFRSA-N 1 0 238.375 2.455 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](COC)C(C)C)cc1 ZINC000809621173 586509584 /nfs/dbraw/zinc/50/95/84/586509584.db2.gz WJELCFUOUYNEBT-OAHLLOKOSA-N 1 0 231.339 2.429 20 30 BEEDRO C#Cc1ccc(C[NH2+]C(C)(C)CC(=O)OC)cc1 ZINC000809633265 586509897 /nfs/dbraw/zinc/50/98/97/586509897.db2.gz JYACBAAQJRSOFW-UHFFFAOYSA-N 1 0 245.322 2.099 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN2CCC[C@@H]2C)cc1 ZINC000809634278 586510285 /nfs/dbraw/zinc/51/02/85/586510285.db2.gz WNPXLHBVDUKTJJ-AWEZNQCLSA-N 1 0 242.366 2.242 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000809646216 586510580 /nfs/dbraw/zinc/51/05/80/586510580.db2.gz WLVSNULJDVGIRJ-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000809644331 586510793 /nfs/dbraw/zinc/51/07/93/586510793.db2.gz QHVRXLJCEXTMJQ-KGLIPLIRSA-N 1 0 242.366 2.192 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000809683720 586511708 /nfs/dbraw/zinc/51/17/08/586511708.db2.gz LTOUTXYXKIRDEE-VXGBXAGGSA-N 1 0 241.338 2.495 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(O)cccc1OC)C(C)C ZINC000809685233 586512038 /nfs/dbraw/zinc/51/20/38/586512038.db2.gz HUXAQPVGGSUZKH-LBPRGKRZSA-N 1 0 233.311 2.148 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000809684045 586512419 /nfs/dbraw/zinc/51/24/19/586512419.db2.gz YNSONEMQKNEZSK-LXSSAFMLSA-N 1 0 230.267 2.219 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](C#C)C(C)C)cc1 ZINC000809685183 586512427 /nfs/dbraw/zinc/51/24/27/586512427.db2.gz DXQTUCMSWGLDJX-INIZCTEOSA-N 1 0 241.334 2.446 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000809683653 586512499 /nfs/dbraw/zinc/51/24/99/586512499.db2.gz INRZSLZXLGDZSY-NSHDSACASA-N 1 0 243.285 2.123 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2CCCOC2)cc1 ZINC000809692637 586513279 /nfs/dbraw/zinc/51/32/79/586513279.db2.gz BZTQYTNJQVXBGJ-HNNXBMFYSA-N 1 0 229.323 2.279 20 30 BEEDRO CC(=[NH+]NC[C@@H]1CCSC1)c1ccc(N)cc1 ZINC000811662473 586564818 /nfs/dbraw/zinc/56/48/18/586564818.db2.gz MDJTYINTKWWGCU-NSHDSACASA-N 1 0 249.383 2.336 20 30 BEEDRO C#CCON=C1CC[NH+](C2CCCCC2)CC1 ZINC000812234726 586570701 /nfs/dbraw/zinc/57/07/01/586570701.db2.gz SOIPFUFORLVHQP-UHFFFAOYSA-N 1 0 234.343 2.421 20 30 BEEDRO CC#CC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850116 586588038 /nfs/dbraw/zinc/58/80/38/586588038.db2.gz LLOULODFLOTVJG-DZGCQCFKSA-N 1 0 231.339 2.454 20 30 BEEDRO C#CCC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850202 586588066 /nfs/dbraw/zinc/58/80/66/586588066.db2.gz RVLYHQNAEOJQEQ-UKRRQHHQSA-N 1 0 231.339 2.454 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1C[C@H]1CCC ZINC000813067463 586590247 /nfs/dbraw/zinc/59/02/47/586590247.db2.gz PYCWYNDFQLHXOD-MGPQQGTHSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000814629673 586626838 /nfs/dbraw/zinc/62/68/38/586626838.db2.gz PTPRQTOBYQLNNC-HUUCEWRRSA-N 1 0 231.339 2.358 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000814668038 586627392 /nfs/dbraw/zinc/62/73/92/586627392.db2.gz WRQMWCVGGCCHJB-JTQLQIEISA-N 1 0 215.724 2.118 20 30 BEEDRO C[C@H](C=[NH+]n1cnnc1)C1CCCCC1 ZINC000814682493 586628644 /nfs/dbraw/zinc/62/86/44/586628644.db2.gz KUUIWCDWZVZRMT-SNVBAGLBSA-N 1 0 206.293 2.328 20 30 BEEDRO CC(=NO[C@@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000814887705 586643485 /nfs/dbraw/zinc/64/34/85/586643485.db2.gz LBRBBGDTILXULA-CYBMUJFWSA-N 1 0 240.347 2.247 20 30 BEEDRO CCC(=[NH+]N[C@@H]1CCCOC1)c1cccc(N)c1 ZINC000814908273 586648521 /nfs/dbraw/zinc/64/85/21/586648521.db2.gz LYYVROPNLVPYHR-CYBMUJFWSA-N 1 0 247.342 2.152 20 30 BEEDRO CC(N=Nc1ncccc1F)c1ccc(N)nc1 ZINC000814927647 586652440 /nfs/dbraw/zinc/65/24/40/586652440.db2.gz YTHOUOOOUDHHSW-UHFFFAOYSA-N 1 0 245.261 2.034 20 30 BEEDRO CCC(=[NH+]OCCCOC)c1cccc(N)c1 ZINC000814931613 586653419 /nfs/dbraw/zinc/65/34/19/586653419.db2.gz ZCZHXCNUZKLRBN-UHFFFAOYSA-N 1 0 236.315 2.436 20 30 BEEDRO Cc1cc([C@@H]2CCCN2CCOCCC#N)no1 ZINC000815011617 586664057 /nfs/dbraw/zinc/66/40/57/586664057.db2.gz UAONTHZWPINKPV-ZDUSSCGKSA-N 1 0 249.314 2.050 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC000815044512 586664631 /nfs/dbraw/zinc/66/46/31/586664631.db2.gz CXGBDOSKMMQUHS-JSGCOSHPSA-N 1 0 244.342 2.212 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000815105988 586666260 /nfs/dbraw/zinc/66/62/60/586666260.db2.gz OBCGNMXFHVAXKF-VHSXEESVSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CCCC[NH+]1CCC2(CC1)OCCCO2 ZINC000815154163 586670614 /nfs/dbraw/zinc/67/06/14/586670614.db2.gz NQOYQGVDAHHNQI-UHFFFAOYSA-N 1 0 225.332 2.182 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000815281447 586676825 /nfs/dbraw/zinc/67/68/25/586676825.db2.gz KKEHYNMBXZBWEM-OAHLLOKOSA-N 1 0 231.339 2.292 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000815281210 586676848 /nfs/dbraw/zinc/67/68/48/586676848.db2.gz YEDUWNLLUJPBHH-UHFFFAOYSA-N 1 0 231.295 2.067 20 30 BEEDRO C#CCCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000815292612 586677158 /nfs/dbraw/zinc/67/71/58/586677158.db2.gz GPOKCAOKYLMYQN-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO CC#CCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445642 586684841 /nfs/dbraw/zinc/68/48/41/586684841.db2.gz DZMDAGNDFLPHSQ-AWEZNQCLSA-N 1 0 249.354 2.350 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@]1(C)CCCO1 ZINC000815618832 586689063 /nfs/dbraw/zinc/68/90/63/586689063.db2.gz VQYTYZSRKHPXHU-RISCZKNCSA-N 1 0 245.326 2.000 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC=C(C)CC1)[C@H]1CCCO1 ZINC000816573429 586741768 /nfs/dbraw/zinc/74/17/68/586741768.db2.gz YCVYZHTWPHMAST-MELADBBJSA-N 1 0 219.328 2.256 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000816647532 586750483 /nfs/dbraw/zinc/75/04/83/586750483.db2.gz UFPVLIBETHTKOU-IUCAKERBSA-N 1 0 206.314 2.460 20 30 BEEDRO FC(F)(F)C=CNNc1cccc[nH+]1 ZINC000817323414 586794160 /nfs/dbraw/zinc/79/41/60/586794160.db2.gz BQPKUHJKZAGZPY-UHFFFAOYSA-N 1 0 203.167 2.432 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1 ZINC000817415571 586802464 /nfs/dbraw/zinc/80/24/64/586802464.db2.gz ZCGZXACHTKHQPG-DOMZBBRYSA-N 1 0 229.323 2.013 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(C2CC2)n1 ZINC000817769408 586827771 /nfs/dbraw/zinc/82/77/71/586827771.db2.gz UQNIPAAYDZRVMM-UHFFFAOYSA-N 1 0 245.326 2.015 20 30 BEEDRO C=C(Cl)CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817903580 586835742 /nfs/dbraw/zinc/83/57/42/586835742.db2.gz FWFVEAOWHMVDDS-AAEUAGOBSA-N 1 0 238.762 2.287 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+]C[C@@H](C#N)CCC#N ZINC000818954181 586917550 /nfs/dbraw/zinc/91/75/50/586917550.db2.gz SVVJOGBARYXQCA-VXGBXAGGSA-N 1 0 231.299 2.244 20 30 BEEDRO C#CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000819116192 586931096 /nfs/dbraw/zinc/93/10/96/586931096.db2.gz OXVFPUMXEQDOSD-UHFFFAOYSA-N 1 0 248.301 2.157 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC1(C)C ZINC000819173204 586934541 /nfs/dbraw/zinc/93/45/41/586934541.db2.gz AIVVTQLOOYVPGX-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000819214729 586939431 /nfs/dbraw/zinc/93/94/31/586939431.db2.gz WYFBAJQUTKVAHS-AWEZNQCLSA-N 1 0 235.302 2.171 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccns1 ZINC000860053366 589076487 /nfs/dbraw/zinc/07/64/87/589076487.db2.gz BLSQYVLVPAOTQK-SECBINFHSA-N 1 0 241.385 2.441 20 30 BEEDRO COc1ccc([C@@H]2C[C@H]2[NH2+]CCC#N)cc1 ZINC000819278709 586947279 /nfs/dbraw/zinc/94/72/79/586947279.db2.gz VKDPGPQOZGCGLU-QWHCGFSZSA-N 1 0 216.284 2.054 20 30 BEEDRO C#CC[C@@H](Cc1ccccc1)[NH2+]CCC#N ZINC000819304013 586949169 /nfs/dbraw/zinc/94/91/69/586949169.db2.gz BIADBODVXSWRJO-AWEZNQCLSA-N 1 0 212.296 2.124 20 30 BEEDRO C=CCCCCCC[NH2+]C[C@@H](O)C1CC1 ZINC000819309789 586949796 /nfs/dbraw/zinc/94/97/96/586949796.db2.gz WGWHMVURJARWPQ-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@]1(CC[NH2+]CCC#N)CC1(Cl)Cl ZINC000819347511 586955372 /nfs/dbraw/zinc/95/53/72/586955372.db2.gz COLLIQIPJZCWBB-QMMMGPOBSA-N 1 0 221.131 2.464 20 30 BEEDRO Cc1ccccc1[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000819376813 586959002 /nfs/dbraw/zinc/95/90/02/586959002.db2.gz GMZJOFUUHFHJQJ-AWEZNQCLSA-N 1 0 244.338 2.312 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000840454198 587104658 /nfs/dbraw/zinc/10/46/58/587104658.db2.gz WHVWGNYCGYPSBY-GHMZBOCLSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)c1noc(CC2(C[NH3+])CC2)n1 ZINC000823247946 587211335 /nfs/dbraw/zinc/21/13/35/587211335.db2.gz LWTNIHZHXXWZJQ-UHFFFAOYSA-N 1 0 235.331 2.205 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823606930 587232930 /nfs/dbraw/zinc/23/29/30/587232930.db2.gz XHLDGLKRDUSFCF-HNNXBMFYSA-N 1 0 231.339 2.239 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC[S@](=O)CC ZINC000823875664 587244907 /nfs/dbraw/zinc/24/49/07/587244907.db2.gz DXTSBOUMSZIMBR-IUODEOHRSA-N 1 0 231.405 2.480 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC[S@](=O)CC ZINC000823875665 587245290 /nfs/dbraw/zinc/24/52/90/587245290.db2.gz DXTSBOUMSZIMBR-SWLSCSKDSA-N 1 0 231.405 2.480 20 30 BEEDRO C#CCCC[NH2+]Cc1cc2cccnc2o1 ZINC000823949789 587247021 /nfs/dbraw/zinc/24/70/21/587247021.db2.gz UMCUSFIITSCSHT-UHFFFAOYSA-N 1 0 214.268 2.331 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1csc(C)c1)[C@@H]1CCCO1 ZINC000824195471 587259692 /nfs/dbraw/zinc/25/96/92/587259692.db2.gz GIHGGYADAUTRPD-OLZOCXBDSA-N 1 0 235.352 2.327 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000824841136 587287899 /nfs/dbraw/zinc/28/78/99/587287899.db2.gz GHIJUNLVIOROBM-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)oc1C ZINC000824861561 587290732 /nfs/dbraw/zinc/29/07/32/587290732.db2.gz NCLOKPDGARXPEV-OLZOCXBDSA-N 1 0 221.300 2.330 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCO[C@H]2C=C)cc1 ZINC000824955599 587294475 /nfs/dbraw/zinc/29/44/75/587294475.db2.gz XDNLLDRYQXWJOJ-CVEARBPZSA-N 1 0 241.334 2.491 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000824953144 587294521 /nfs/dbraw/zinc/29/45/21/587294521.db2.gz HXBXKCZHLYRLJD-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000824953532 587294787 /nfs/dbraw/zinc/29/47/87/587294787.db2.gz LGXFLZCYNRIQSD-LXKPXOPUSA-N 1 0 231.286 2.353 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCCOCC2)c1 ZINC000825225775 587310176 /nfs/dbraw/zinc/31/01/76/587310176.db2.gz ADKRFEXZLFULMU-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000825339066 587315670 /nfs/dbraw/zinc/31/56/70/587315670.db2.gz ZOVNYLRACSJFGS-HNNXBMFYSA-N 1 0 243.350 2.262 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000825339067 587316107 /nfs/dbraw/zinc/31/61/07/587316107.db2.gz ZOVNYLRACSJFGS-OAHLLOKOSA-N 1 0 243.350 2.262 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000825625112 587327411 /nfs/dbraw/zinc/32/74/11/587327411.db2.gz GNEIWJUVSNFGDG-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000826765010 587361606 /nfs/dbraw/zinc/36/16/06/587361606.db2.gz YFMUOCXNSYJLHT-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]Cc1cc(OC)c(OC)cc1O ZINC000826915897 587365424 /nfs/dbraw/zinc/36/54/24/587365424.db2.gz YWRUWBQBNWCYAP-UHFFFAOYSA-N 1 0 237.299 2.075 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1CC)C1CCOCC1 ZINC000827561061 587388494 /nfs/dbraw/zinc/38/84/94/587388494.db2.gz XOBRVWUTDJEGOO-XBFCOCLRSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000827565133 587388609 /nfs/dbraw/zinc/38/86/09/587388609.db2.gz JJCQRGDJUBFLFE-QEJZJMRPSA-N 1 0 246.354 2.087 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1CC)C1CCOCC1 ZINC000827561059 587388658 /nfs/dbraw/zinc/38/86/58/587388658.db2.gz XOBRVWUTDJEGOO-KWCYVHTRSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC=C)C1CCOCC1 ZINC000827565358 587388737 /nfs/dbraw/zinc/38/87/37/587388737.db2.gz LHWGQZWPYCIOOC-JSGCOSHPSA-N 1 0 221.344 2.359 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)C1CCOCC1 ZINC000827565826 587388746 /nfs/dbraw/zinc/38/87/46/587388746.db2.gz OYLCCAJWLDGOBA-BNOWGMLFSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](CC)C(C)C)C1CCOCC1 ZINC000827566476 587388994 /nfs/dbraw/zinc/38/89/94/587388994.db2.gz VRJUJBNWVKJOBF-ZIAGYGMSSA-N 1 0 223.360 2.439 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000827602897 587391801 /nfs/dbraw/zinc/39/18/01/587391801.db2.gz YDVJGTZIYMBLPA-HZPDHXFCSA-N 1 0 241.334 2.136 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)cc1 ZINC000827692721 587396758 /nfs/dbraw/zinc/39/67/58/587396758.db2.gz METPGUXWIICFRW-CJNGLKHVSA-N 1 0 243.350 2.118 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cc(C)oc1C ZINC000827822770 587404508 /nfs/dbraw/zinc/40/45/08/587404508.db2.gz FNBZAOCHKCZDFN-UHFFFAOYSA-N 1 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BEEDRO C#CC(C)(C)[N@@H+](C)CCN(C)Cc1ccccc1 ZINC000829244199 587490043 /nfs/dbraw/zinc/49/00/43/587490043.db2.gz SBARHBBZZCWOGR-UHFFFAOYSA-N 1 0 244.382 2.462 20 30 BEEDRO CC#CCC[N@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829378647 587495014 /nfs/dbraw/zinc/49/50/14/587495014.db2.gz YXWHMOHCLAAOQG-INIZCTEOSA-N 1 0 243.350 2.166 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000829768493 587514503 /nfs/dbraw/zinc/51/45/03/587514503.db2.gz DUVNYPKGLBJMKI-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000829778666 587514863 /nfs/dbraw/zinc/51/48/63/587514863.db2.gz GHAKGFSTURBPPM-CQSZACIVSA-N 1 0 245.370 2.272 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000829784016 587515815 /nfs/dbraw/zinc/51/58/15/587515815.db2.gz DGMWDUTXIWBUDE-CYBMUJFWSA-N 1 0 236.384 2.369 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000829785781 587516179 /nfs/dbraw/zinc/51/61/79/587516179.db2.gz ZDAHHLBZLLJFBE-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000829785709 587516191 /nfs/dbraw/zinc/51/61/91/587516191.db2.gz YJCVNBBYJPCEJS-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC000829784650 587516580 /nfs/dbraw/zinc/51/65/80/587516580.db2.gz LLIOQTQBPDAWKB-GFCCVEGCSA-N 1 0 232.327 2.472 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000829805850 587518069 /nfs/dbraw/zinc/51/80/69/587518069.db2.gz WHMXMNDVGIUXBA-HNNXBMFYSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000829809876 587518507 /nfs/dbraw/zinc/51/85/07/587518507.db2.gz JJLBJILQMYYLNW-QWHCGFSZSA-N 1 0 229.327 2.273 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000829815220 587519397 /nfs/dbraw/zinc/51/93/97/587519397.db2.gz HKQLBBAJNHTKAF-WDEREUQCSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](CC)OC)C1 ZINC000829816033 587519675 /nfs/dbraw/zinc/51/96/75/587519675.db2.gz YESPHBNBCVFTEL-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000830301571 587545245 /nfs/dbraw/zinc/54/52/45/587545245.db2.gz OVCATFVBNRWXPG-UHFFFAOYSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000830345654 587546791 /nfs/dbraw/zinc/54/67/91/587546791.db2.gz LVRJHQOBGPRUTK-LLVKDONJSA-N 1 0 218.300 2.389 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000830734509 587565844 /nfs/dbraw/zinc/56/58/44/587565844.db2.gz KNMZSDZKCQRQRM-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831486556 587613200 /nfs/dbraw/zinc/61/32/00/587613200.db2.gz UYLPJOHTBGVAMP-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C#CCCC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000831665124 587627021 /nfs/dbraw/zinc/62/70/21/587627021.db2.gz ZPLQABRZXLORQS-KGLIPLIRSA-N 1 0 225.376 2.279 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC1(Cl)Cl ZINC000831679094 587627569 /nfs/dbraw/zinc/62/75/69/587627569.db2.gz OFRFMKMXXUQBAR-HLTSFMKQSA-N 1 0 236.142 2.113 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000832715159 587679022 /nfs/dbraw/zinc/67/90/22/587679022.db2.gz YDVXQZCIBNMEGZ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)c1cnc(C)[nH]1 ZINC000832722293 587679602 /nfs/dbraw/zinc/67/96/02/587679602.db2.gz VSSYTPBZNTVVSH-UHFFFAOYSA-N 1 0 235.331 2.440 20 30 BEEDRO C#CCOCC[NH2+][C@H](CCC)C(C)(C)C ZINC000834759414 587766137 /nfs/dbraw/zinc/76/61/37/587766137.db2.gz BOOCTZDNAAMPBW-GFCCVEGCSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)C(C)(C)CC ZINC000834761997 587766286 /nfs/dbraw/zinc/76/62/86/587766286.db2.gz WXRBOUATQUPTCZ-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)n(C)n1 ZINC000834880376 587769465 /nfs/dbraw/zinc/76/94/65/587769465.db2.gz WNIMCCCQBUQYQA-AVGNSLFASA-N 1 0 246.358 2.462 20 30 BEEDRO CO[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000834938327 587771808 /nfs/dbraw/zinc/77/18/08/587771808.db2.gz HPJYYPBGHHUSSG-GOOKCDNHSA-N 1 0 204.273 2.398 20 30 BEEDRO CCCNN=C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000834940995 587772165 /nfs/dbraw/zinc/77/21/65/587772165.db2.gz MCGPEWPQKKLBMN-HNNXBMFYSA-N 1 0 247.386 2.491 20 30 BEEDRO Nc1ccc2c(n1)CCCC2=[NH+]NC1CCCC1 ZINC000834954656 587772277 /nfs/dbraw/zinc/77/22/77/587772277.db2.gz SPOJCPCFBRSWIU-UHFFFAOYSA-N 1 0 244.342 2.236 20 30 BEEDRO Cc1ccc[nH+]c1NNC=C1CC1(F)F ZINC000834973881 587774906 /nfs/dbraw/zinc/77/49/06/587774906.db2.gz RZLXXMDOUNEHDR-MRVPVSSYSA-N 1 0 211.215 2.443 20 30 BEEDRO C[C@@H](N=NC1C[C@@H](C)[N@@H+](C2CC2)C1)C(F)(F)F ZINC000834999254 587776616 /nfs/dbraw/zinc/77/66/16/587776616.db2.gz CITUOAUMMQISEN-HTQZYQBOSA-N 1 0 249.280 2.139 20 30 BEEDRO CC(C)O[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000835000801 587776929 /nfs/dbraw/zinc/77/69/29/587776929.db2.gz RHWNLIDBJQJMTJ-UHFFFAOYSA-N 1 0 233.315 2.441 20 30 BEEDRO C=CCO[NH+]=Cc1ccc2c(c1)CCN2C ZINC000835013600 587778055 /nfs/dbraw/zinc/77/80/55/587778055.db2.gz VHECHDJHASYMDU-UHFFFAOYSA-N 1 0 216.284 2.215 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)C1CCCC1 ZINC000837037419 587848504 /nfs/dbraw/zinc/84/85/04/587848504.db2.gz ITFQHEHICNIPCY-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC(=NNCC[NH+]1CCCCC1)[C@H]1C[C@H]1C ZINC000841620817 587960383 /nfs/dbraw/zinc/96/03/83/587960383.db2.gz ZBNKASQXTHXKGJ-OLZOCXBDSA-N 1 0 237.391 2.484 20 30 BEEDRO CCCN[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841620649 587960652 /nfs/dbraw/zinc/96/06/52/587960652.db2.gz XEGJYUPNZPBCJM-UHFFFAOYSA-N 1 0 219.332 2.395 20 30 BEEDRO CCC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@H]1C[C@H]1C ZINC000841634255 587963395 /nfs/dbraw/zinc/96/33/95/587963395.db2.gz WVHRGRWMMZJWIS-DNIRFERGSA-N 1 0 248.374 2.268 20 30 BEEDRO N#CC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000841899883 587983021 /nfs/dbraw/zinc/98/30/21/587983021.db2.gz YKDQLATZXIAJBR-UHFFFAOYSA-N 1 0 216.284 2.176 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000842154342 588003846 /nfs/dbraw/zinc/00/38/46/588003846.db2.gz WBHHJFLBECOZKQ-STQMWFEESA-N 1 0 236.359 2.354 20 30 BEEDRO CC[C@H]([NH2+]CCO[C@H](C)C#N)[C@H]1CC1(C)C ZINC000842163395 588005532 /nfs/dbraw/zinc/00/55/32/588005532.db2.gz LYYYRLOXPXZEGX-UTUOFQBUSA-N 1 0 224.348 2.329 20 30 BEEDRO Nc1ccc2c(c1)CCCC2=[NH+]NC12CC(C1)C2 ZINC000842544250 588039311 /nfs/dbraw/zinc/03/93/11/588039311.db2.gz RCCSBKWXROCQRV-UHFFFAOYSA-N 1 0 241.338 2.451 20 30 BEEDRO C#CCCC[NH2+]Cc1ccnn1CC(C)C ZINC000842686117 588052280 /nfs/dbraw/zinc/05/22/80/588052280.db2.gz KCESIBYEZPPROE-UHFFFAOYSA-N 1 0 219.332 2.042 20 30 BEEDRO C[C@H](C[C@H](O)c1cccs1)[NH2+]CCC#N ZINC000843108350 588081805 /nfs/dbraw/zinc/08/18/05/588081805.db2.gz SEVDLURAGNATBD-ZJUUUORDSA-N 1 0 224.329 2.063 20 30 BEEDRO C=CCC(C)(C)c1noc(C2CC[NH2+]CC2)n1 ZINC000843235590 588094965 /nfs/dbraw/zinc/09/49/65/588094965.db2.gz RXWAHFULKZKQNE-UHFFFAOYSA-N 1 0 235.331 2.390 20 30 BEEDRO C=CCCc1noc([C@@H](C[NH3+])c2ccccc2)n1 ZINC000843237937 588095107 /nfs/dbraw/zinc/09/51/07/588095107.db2.gz INNDZYSOYMNODT-LBPRGKRZSA-N 1 0 243.310 2.279 20 30 BEEDRO C=CCCc1noc(C[C@@H]([NH3+])c2ccccc2)n1 ZINC000843238421 588095422 /nfs/dbraw/zinc/09/54/22/588095422.db2.gz RBAMCBHVTIXJBB-GFCCVEGCSA-N 1 0 243.310 2.431 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccnn1CC(C)C ZINC000843409224 588106686 /nfs/dbraw/zinc/10/66/86/588106686.db2.gz PXEHEOAJRZEZHT-GFCCVEGCSA-N 1 0 219.332 2.041 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000843427301 588108465 /nfs/dbraw/zinc/10/84/65/588108465.db2.gz ZBTLLJAKSWVZTG-ZDUSSCGKSA-N 1 0 205.301 2.024 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000843798197 588140937 /nfs/dbraw/zinc/14/09/37/588140937.db2.gz HJYPFMCKULXBTM-NQBHXWOUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CON=C1C[N@H+](C2CC2)C[C@@H]1C ZINC000844618855 588208478 /nfs/dbraw/zinc/20/84/78/588208478.db2.gz LANKEHLXBZRDLR-JTQLQIEISA-N 1 0 208.305 2.049 20 30 BEEDRO C=C(C)CON=C1CC[N@@H+](CC)C[C@H]1C ZINC000844618809 588208749 /nfs/dbraw/zinc/20/87/49/588208749.db2.gz IYDUATDAAOKVPF-LLVKDONJSA-N 1 0 210.321 2.297 20 30 BEEDRO C=C[C@@H](C)ON=Cc1c[nH+]ccc1N(C)C ZINC000844622343 588209790 /nfs/dbraw/zinc/20/97/90/588209790.db2.gz YCTAAVNTRIKIRR-SNVBAGLBSA-N 1 0 219.288 2.073 20 30 BEEDRO C=CCCCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000844656109 588212908 /nfs/dbraw/zinc/21/29/08/588212908.db2.gz JIIJNKGGNSDPPL-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)C[C@H](C)n1ccnc1 ZINC000845598538 588234937 /nfs/dbraw/zinc/23/49/37/588234937.db2.gz PDEFIWNVCZZIQO-NWDGAFQWSA-N 1 0 234.299 2.179 20 30 BEEDRO CC#CCCCC(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845664045 588240038 /nfs/dbraw/zinc/24/00/38/588240038.db2.gz VUWPXNWDVPREKI-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845662016 588240047 /nfs/dbraw/zinc/24/00/47/588240047.db2.gz FALUJPNFRVIHKZ-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[S@@](=O)CC)C1 ZINC000845935737 588250845 /nfs/dbraw/zinc/25/08/45/588250845.db2.gz ARRLVMDZGJONOO-XUJVJEKNSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC[S@](C)=O)C1 ZINC000845942287 588251008 /nfs/dbraw/zinc/25/10/08/588251008.db2.gz QMEXQXRBRROCHG-XUJVJEKNSA-N 1 0 229.389 2.089 20 30 BEEDRO C#CCCC[NH2+]Cc1cc2cnccc2o1 ZINC000845943709 588251349 /nfs/dbraw/zinc/25/13/49/588251349.db2.gz IKBFBGRFJMVHQL-UHFFFAOYSA-N 1 0 214.268 2.331 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000845958234 588251746 /nfs/dbraw/zinc/25/17/46/588251746.db2.gz KSWXDTFSJUMDBV-STQMWFEESA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C)OCCCO2)C1 ZINC000845963136 588251924 /nfs/dbraw/zinc/25/19/24/588251924.db2.gz LKKXRKMBNGSONM-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2cnn(C)n2)C1 ZINC000845976401 588252303 /nfs/dbraw/zinc/25/23/03/588252303.db2.gz JMQVTZMSMBBZBZ-OLZOCXBDSA-N 1 0 248.374 2.082 20 30 BEEDRO COc1cccc([C@@H](C)[NH2+]CCCC#N)c1O ZINC000846161983 588259022 /nfs/dbraw/zinc/25/90/22/588259022.db2.gz DMUXVFOHOHYQFU-SNVBAGLBSA-N 1 0 234.299 2.355 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000846170152 588259049 /nfs/dbraw/zinc/25/90/49/588259049.db2.gz LXTMKHXXXOFSDF-LSDHHAIUSA-N 1 0 236.403 2.500 20 30 BEEDRO C=CCCCC(=O)N(C)CC[NH+]1CCCCC1 ZINC000846615030 588279484 /nfs/dbraw/zinc/27/94/84/588279484.db2.gz WHBDEYLYDIOOCD-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846847615 588292922 /nfs/dbraw/zinc/29/29/22/588292922.db2.gz JZPCBFLGWXOTHZ-UHFFFAOYSA-N 1 0 217.272 2.231 20 30 BEEDRO C=CCCCC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000846988498 588300681 /nfs/dbraw/zinc/30/06/81/588300681.db2.gz LRZGCELJXQLBTE-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC000847019867 588301476 /nfs/dbraw/zinc/30/14/76/588301476.db2.gz SVNPNLGIAQPZDL-MCIONIFRSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000847013316 588301575 /nfs/dbraw/zinc/30/15/75/588301575.db2.gz URZDHHCPPLZHKE-UHFFFAOYSA-N 1 0 241.294 2.068 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000847018853 588301894 /nfs/dbraw/zinc/30/18/94/588301894.db2.gz NBBUPCDYUSUEIT-HOCLYGCPSA-N 1 0 243.350 2.455 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000847019116 588301945 /nfs/dbraw/zinc/30/19/45/588301945.db2.gz OUXQYLCOSLQRJE-UKRRQHHQSA-N 1 0 235.371 2.273 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000847019025 588301947 /nfs/dbraw/zinc/30/19/47/588301947.db2.gz NPLPVHXGSMNVAS-LLVKDONJSA-N 1 0 220.341 2.031 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(CC)cn2)C1 ZINC000847018528 588301994 /nfs/dbraw/zinc/30/19/94/588301994.db2.gz KXEVOUIGPSMCII-CQSZACIVSA-N 1 0 228.339 2.489 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC000847019864 588302306 /nfs/dbraw/zinc/30/23/06/588302306.db2.gz SVNPNLGIAQPZDL-BFHYXJOUSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2(COC)CCC2)C1 ZINC000847019835 588302396 /nfs/dbraw/zinc/30/23/96/588302396.db2.gz SSXWHISNKZZULT-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000847019654 588302452 /nfs/dbraw/zinc/30/24/52/588302452.db2.gz SNGLVBXRMCBAIN-SNVBAGLBSA-N 1 0 213.271 2.377 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000847022059 588302959 /nfs/dbraw/zinc/30/29/59/588302959.db2.gz FEIKXSBQQZSWPV-GOEBONIOSA-N 1 0 243.350 2.239 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000847023054 588303456 /nfs/dbraw/zinc/30/34/56/588303456.db2.gz KTBPZQAGLWIVLS-WFASDCNBSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000847025295 588303546 /nfs/dbraw/zinc/30/35/46/588303546.db2.gz NPSRVVGYSYQEBU-LLVKDONJSA-N 1 0 249.276 2.301 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCCCC(=O)OCC)C1 ZINC000847024743 588303728 /nfs/dbraw/zinc/30/37/28/588303728.db2.gz KUOCBQTYQLAUAE-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000847033638 588304363 /nfs/dbraw/zinc/30/43/63/588304363.db2.gz FTYIELJDSHNLSI-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC000847036597 588304604 /nfs/dbraw/zinc/30/46/04/588304604.db2.gz PGTJLYBFJWPQPP-UONOGXRCSA-N 1 0 223.360 2.393 20 30 BEEDRO C=CC(C)(C)C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847821025 588333849 /nfs/dbraw/zinc/33/38/49/588333849.db2.gz XTEWCCPGGVXGSZ-LLVKDONJSA-N 1 0 225.332 2.084 20 30 BEEDRO CCCCCCCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000107263912 588344850 /nfs/dbraw/zinc/34/48/50/588344850.db2.gz MKFYWLCZNZJGHN-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO CCCCNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848403619 588378175 /nfs/dbraw/zinc/37/81/75/588378175.db2.gz WVPPYLYRXMGLDL-ZDUSSCGKSA-N 1 0 223.364 2.380 20 30 BEEDRO CC(C)c1ccccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000848408328 588379067 /nfs/dbraw/zinc/37/90/67/588379067.db2.gz JVINRYRHRUINJL-LLVKDONJSA-N 1 0 244.342 2.081 20 30 BEEDRO COCCCON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848410210 588380081 /nfs/dbraw/zinc/38/00/81/588380081.db2.gz DMGNDMRICSOEAS-ZDUSSCGKSA-N 1 0 240.347 2.044 20 30 BEEDRO C=C(C)CNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848411347 588380739 /nfs/dbraw/zinc/38/07/39/588380739.db2.gz OIKVQASDJIHTIZ-ZDUSSCGKSA-N 1 0 221.348 2.156 20 30 BEEDRO C1C2CC1(NN=C1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000848413796 588381022 /nfs/dbraw/zinc/38/10/22/588381022.db2.gz SWUDIRIHJFRLFJ-HRDQMINSSA-N 1 0 233.359 2.133 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H](C)C[NH3+] ZINC000107594117 588383859 /nfs/dbraw/zinc/38/38/59/588383859.db2.gz SLAHWYUOATTWHH-NSHDSACASA-N 1 0 214.353 2.058 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cncnc1C ZINC000848535610 588392749 /nfs/dbraw/zinc/39/27/49/588392749.db2.gz HWFFOWGGNKRZLE-NSHDSACASA-N 1 0 217.316 2.239 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)[C@@H]1CCCO1 ZINC000848545157 588395314 /nfs/dbraw/zinc/39/53/14/588395314.db2.gz AKNBGXBXZXYGIG-NDBYEHHHSA-N 1 0 239.384 2.041 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cn(C)cn1 ZINC000848563173 588397572 /nfs/dbraw/zinc/39/75/72/588397572.db2.gz QLZANYKEICUXAK-UHFFFAOYSA-N 1 0 207.321 2.256 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(Cl)n1C)C(C)(C)C ZINC000848912227 588419823 /nfs/dbraw/zinc/41/98/23/588419823.db2.gz OXVXAUWQINYBPH-JTQLQIEISA-N 1 0 239.750 2.211 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000848924309 588421633 /nfs/dbraw/zinc/42/16/33/588421633.db2.gz PPVPHNWVHKFHRF-VXGBXAGGSA-N 1 0 209.358 2.085 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000848923106 588420770 /nfs/dbraw/zinc/42/07/70/588420770.db2.gz GFLDASHZRBNQQZ-GFCCVEGCSA-N 1 0 245.322 2.246 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000848923351 588421354 /nfs/dbraw/zinc/42/13/54/588421354.db2.gz CCTNDBUIHZUGPY-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000848923389 588421426 /nfs/dbraw/zinc/42/14/26/588421426.db2.gz CYLFNIQFSNHVTQ-LLVKDONJSA-N 1 0 233.286 2.377 20 30 BEEDRO CN1CCC[NH+]=C1NCCCCc1ccccc1 ZINC000848983351 588424592 /nfs/dbraw/zinc/42/45/92/588424592.db2.gz RTWMCQCROVANII-UHFFFAOYSA-N 1 0 245.370 2.290 20 30 BEEDRO C[NH+]=C(NCc1ccsc1)NCc1ccco1 ZINC000848986040 588425607 /nfs/dbraw/zinc/42/56/07/588425607.db2.gz RJJOJBBYVXWOGT-UHFFFAOYSA-N 1 0 249.339 2.206 20 30 BEEDRO C[NH+]=C(NCc1ccc(C)cc1C)NC1CC1 ZINC000848986139 588425643 /nfs/dbraw/zinc/42/56/43/588425643.db2.gz KLSZPMVWKDAJFD-UHFFFAOYSA-N 1 0 231.343 2.131 20 30 BEEDRO C[NH+]=C(NCc1ccc(SC)cc1)NC1CC1 ZINC000848996942 588429676 /nfs/dbraw/zinc/42/96/76/588429676.db2.gz XBLBYWXMOGITCN-UHFFFAOYSA-N 1 0 249.383 2.236 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCCCC(C)(C)C)N1 ZINC000849003132 588431088 /nfs/dbraw/zinc/43/10/88/588431088.db2.gz KAWHEJRMAPZYFU-JTQLQIEISA-N 1 0 211.353 2.140 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCCCC#N ZINC000849003200 588431237 /nfs/dbraw/zinc/43/12/37/588431237.db2.gz VFZLPJXACQFKLQ-UHFFFAOYSA-N 1 0 224.352 2.375 20 30 BEEDRO CCC(CC)(C[NH+]=C(N(C)C)N(C)C)SC ZINC000849010905 588435047 /nfs/dbraw/zinc/43/50/47/588435047.db2.gz SRYVNFUMDLPZQW-UHFFFAOYSA-N 1 0 245.436 2.387 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCc1cccs1 ZINC000849015409 588436595 /nfs/dbraw/zinc/43/65/95/588436595.db2.gz OKXMXIVGROOEEO-UHFFFAOYSA-N 1 0 237.372 2.371 20 30 BEEDRO CS[C@H](C[NH+]=C(N(C)C)N(C)C)C(C)(C)C ZINC000849018222 588437781 /nfs/dbraw/zinc/43/77/81/588437781.db2.gz XKZPPMSRNSDWCM-SNVBAGLBSA-N 1 0 245.436 2.243 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H](SC)C(C)(C)C ZINC000849017643 588437799 /nfs/dbraw/zinc/43/77/99/588437799.db2.gz AFDFJEWPWJQNKI-JTQLQIEISA-N 1 0 243.420 2.454 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])NCc1ccc(C)cc1 ZINC000849021781 588439248 /nfs/dbraw/zinc/43/92/48/588439248.db2.gz HRQKUCPNJCJZSP-AWEZNQCLSA-N 1 0 243.354 2.411 20 30 BEEDRO N#CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849023258 588439536 /nfs/dbraw/zinc/43/95/36/588439536.db2.gz CUKIHOVUQSZYFH-UHFFFAOYSA-N 1 0 228.299 2.025 20 30 BEEDRO C=CCCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849024309 588439950 /nfs/dbraw/zinc/43/99/50/588439950.db2.gz ULOIKUHRMPUWML-NSHDSACASA-N 1 0 209.337 2.209 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@H]1C[C@H](c2ccccc2)C1 ZINC000849025536 588440420 /nfs/dbraw/zinc/44/04/20/588440420.db2.gz MEXBZDMOTUVPEU-MQMHXKEQSA-N 1 0 243.354 2.260 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCc1ccccc1F ZINC000849025009 588440431 /nfs/dbraw/zinc/44/04/31/588440431.db2.gz JNYJIXWTYFZGIX-UHFFFAOYSA-N 1 0 249.333 2.448 20 30 BEEDRO CCCCCCCCNC(=[NH2+])NCCF ZINC000849025652 588440518 /nfs/dbraw/zinc/44/05/18/588440518.db2.gz ZRJSUGCOKSGIGV-UHFFFAOYSA-N 1 0 217.332 2.430 20 30 BEEDRO CC[C@@H]1C[C@H]1[NH+]=C(NCc1ccccc1)N(C)C ZINC000849026291 588440705 /nfs/dbraw/zinc/44/07/05/588440705.db2.gz SAYWTVDDVVQJKA-ZIAGYGMSSA-N 1 0 245.370 2.492 20 30 BEEDRO N#CC1CCC(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000849026524 588440890 /nfs/dbraw/zinc/44/08/90/588440890.db2.gz HYFVTDMOURXSHX-UHFFFAOYSA-N 1 0 248.374 2.327 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH+]=C(NCc1ccccc1)N(C)C ZINC000849027783 588441329 /nfs/dbraw/zinc/44/13/29/588441329.db2.gz RMMIHKVZGAHFCN-TZMCWYRMSA-N 1 0 245.370 2.492 20 30 BEEDRO C=CCNC(=[NH2+])NCCC(C)(C)C1CC1 ZINC000849032390 588443466 /nfs/dbraw/zinc/44/34/66/588443466.db2.gz GJPVKPKMOXGIQX-UHFFFAOYSA-N 1 0 209.337 2.113 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000849038260 588446164 /nfs/dbraw/zinc/44/61/64/588446164.db2.gz KOFKEEPCVBKZHU-SECBINFHSA-N 1 0 248.305 2.110 20 30 BEEDRO C=C(CC)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849038414 588446216 /nfs/dbraw/zinc/44/62/16/588446216.db2.gz QDRQEOFSEVUQLK-NSHDSACASA-N 1 0 209.337 2.209 20 30 BEEDRO CCNC(NC[C@@H]1CCC[C@H]1C1CC1)=[NH+]CC ZINC000849041116 588447998 /nfs/dbraw/zinc/44/79/98/588447998.db2.gz KPISIGBOHGFCQU-STQMWFEESA-N 1 0 237.391 2.388 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N(CC)CC)c1ccccc1 ZINC000849045090 588449515 /nfs/dbraw/zinc/44/95/15/588449515.db2.gz CMQMCPJBQXHGKE-CYBMUJFWSA-N 1 0 229.327 2.227 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1CC2CCC1CC2)N(C)C ZINC000849044757 588449518 /nfs/dbraw/zinc/44/95/18/588449518.db2.gz FFNWUPUYKLIIAU-WXRRBKDZSA-N 1 0 237.391 2.292 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000849045724 588449981 /nfs/dbraw/zinc/44/99/81/588449981.db2.gz OUJNXWWTWIGZSQ-GFCCVEGCSA-N 1 0 229.327 2.273 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc2[nH]c(C)cc2c1 ZINC000849049669 588451425 /nfs/dbraw/zinc/45/14/25/588451425.db2.gz JUIIIDVYKRZKBS-UHFFFAOYSA-N 1 0 242.326 2.276 20 30 BEEDRO CNC(NCc1cc(Cl)cc(Cl)c1)=[NH+]C ZINC000849215167 588461770 /nfs/dbraw/zinc/46/17/70/588461770.db2.gz RXYOVXUUCLXWBS-UHFFFAOYSA-N 1 0 246.141 2.288 20 30 BEEDRO C=C(CNC1=[NH+]CCCCN1)c1ccccc1 ZINC000849216292 588462419 /nfs/dbraw/zinc/46/24/19/588462419.db2.gz DBMMHKGMZIKLGY-UHFFFAOYSA-N 1 0 229.327 2.029 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000849328476 588473017 /nfs/dbraw/zinc/47/30/17/588473017.db2.gz LRMWBGQHCAMHLX-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO C=CCCn1cc(C[NH2+]C23CCC(CC2)C3)nn1 ZINC000850245232 588531658 /nfs/dbraw/zinc/53/16/58/588531658.db2.gz GJPJCLZHGGQYPL-UHFFFAOYSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCC[NH2+]Cc1cc(OCC)ccc1O ZINC000850354465 588538666 /nfs/dbraw/zinc/53/86/66/588538666.db2.gz IYHCPISLAHCIMW-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CCCOC2)CCCCC1 ZINC000850390622 588543079 /nfs/dbraw/zinc/54/30/79/588543079.db2.gz LHDZKYXAKRYFCD-CYBMUJFWSA-N 1 0 236.359 2.477 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cc1 ZINC000850389549 588543483 /nfs/dbraw/zinc/54/34/83/588543483.db2.gz ZKWZMGXAXTZUAO-LSDHHAIUSA-N 1 0 241.334 2.061 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850441300 588547184 /nfs/dbraw/zinc/54/71/84/588547184.db2.gz UQDJQXHIDJONRM-VOMCLLRMSA-N 1 0 240.347 2.208 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)Cn1cncn1 ZINC000850446981 588547674 /nfs/dbraw/zinc/54/76/74/588547674.db2.gz CSXFOERSQOMBJW-GFCCVEGCSA-N 1 0 224.352 2.227 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCN(C)OC ZINC000850478038 588549743 /nfs/dbraw/zinc/54/97/43/588549743.db2.gz MUUPYDRONOUFPO-STQMWFEESA-N 1 0 226.364 2.204 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)c3ccccc32)C1 ZINC000850527197 588557429 /nfs/dbraw/zinc/55/74/29/588557429.db2.gz VCYYQYFCFNMMAO-BAESOJJISA-N 1 0 242.322 2.447 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2SCCS2)C1 ZINC000850562083 588560613 /nfs/dbraw/zinc/56/06/13/588560613.db2.gz SWDYMUARMLTWKG-IUCAKERBSA-N 1 0 228.386 2.074 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2SCCS2)C1 ZINC000850562085 588560886 /nfs/dbraw/zinc/56/08/86/588560886.db2.gz SWDYMUARMLTWKG-RKDXNWHRSA-N 1 0 228.386 2.074 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000850573012 588561182 /nfs/dbraw/zinc/56/11/82/588561182.db2.gz SIFATEBKBBVESB-WCBMZHEXSA-N 1 0 241.718 2.243 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CCC1(C)C ZINC000850826484 588569395 /nfs/dbraw/zinc/56/93/95/588569395.db2.gz MTZWYJXDWKUYGL-OLZOCXBDSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCOCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000851711365 588615223 /nfs/dbraw/zinc/61/52/23/588615223.db2.gz ZPCQOQXHZSXSPB-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO C[N@H+](CCOC(F)F)Cc1cccc(C#N)c1 ZINC000851715219 588615909 /nfs/dbraw/zinc/61/59/09/588615909.db2.gz NXTYDULJPWBDIT-UHFFFAOYSA-N 1 0 240.253 2.229 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000851714186 588615946 /nfs/dbraw/zinc/61/59/46/588615946.db2.gz GCWKBIVXFWSVFB-MRXNPFEDSA-N 1 0 243.350 2.343 20 30 BEEDRO C#CCOCC[N@H+](Cc1ccccc1)C1CC1 ZINC000851715792 588616477 /nfs/dbraw/zinc/61/64/77/588616477.db2.gz BTEGVNMIBKIZHV-UHFFFAOYSA-N 1 0 229.323 2.301 20 30 BEEDRO C=CC[N@@H+](CCO[C@@H]1CC1(F)F)C(C)C ZINC000851730882 588619204 /nfs/dbraw/zinc/61/92/04/588619204.db2.gz HYFVBMDVYDPHSA-SNVBAGLBSA-N 1 0 219.275 2.307 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C#N)CC2)C1 ZINC000851739675 588620831 /nfs/dbraw/zinc/62/08/31/588620831.db2.gz DVXRSWOEDZISBV-KBPBESRZSA-N 1 0 249.402 2.200 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1ccccc1 ZINC000851750035 588623093 /nfs/dbraw/zinc/62/30/93/588623093.db2.gz UZDNYFUQDRSFNE-UHFFFAOYSA-N 1 0 217.312 2.161 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2ccccc2[C@@H]1C ZINC000851762559 588624432 /nfs/dbraw/zinc/62/44/32/588624432.db2.gz SOMVYNJSGMKIRE-ZDUSSCGKSA-N 1 0 229.323 2.256 20 30 BEEDRO C=CC1CC[NH+]([C@H]2CC[C@H](OC)C2)CC1 ZINC000851768183 588625109 /nfs/dbraw/zinc/62/51/09/588625109.db2.gz GOZLHJAQCVZFFJ-STQMWFEESA-N 1 0 209.333 2.452 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000851772358 588626038 /nfs/dbraw/zinc/62/60/38/588626038.db2.gz FQDVLRXSYUFKQT-AWEZNQCLSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cc(F)ccc2[C@H]1C ZINC000851779369 588626869 /nfs/dbraw/zinc/62/68/69/588626869.db2.gz SNZSTYMSDLKFGS-GFCCVEGCSA-N 1 0 247.313 2.395 20 30 BEEDRO COC(CC[N@H+](CCC#N)CC(C)(C)C)OC ZINC000851780626 588627258 /nfs/dbraw/zinc/62/72/58/588627258.db2.gz JZYOKJIVSHMAIS-UHFFFAOYSA-N 1 0 242.363 2.257 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)c1ccccn1 ZINC000851780713 588627552 /nfs/dbraw/zinc/62/75/52/588627552.db2.gz UMMQMADEIOURGX-ZDUSSCGKSA-N 1 0 220.316 2.013 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)CCSCC ZINC000851850190 588634920 /nfs/dbraw/zinc/63/49/20/588634920.db2.gz HQRUZMPDQHVZGS-GFCCVEGCSA-N 1 0 229.389 2.100 20 30 BEEDRO C#CCOCC[N@@H+]([C@@H](C)c1ccco1)C1CC1 ZINC000851855108 588635366 /nfs/dbraw/zinc/63/53/66/588635366.db2.gz ZYKJWLLRDDTKTM-LBPRGKRZSA-N 1 0 233.311 2.455 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1 ZINC000851900387 588641719 /nfs/dbraw/zinc/64/17/19/588641719.db2.gz CJVQELMSCPDJGQ-KGLIPLIRSA-N 1 0 243.306 2.046 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1 ZINC000851900389 588641729 /nfs/dbraw/zinc/64/17/29/588641729.db2.gz CJVQELMSCPDJGQ-ZIAGYGMSSA-N 1 0 243.306 2.046 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H](COC)OC)c1ccccc1 ZINC000851902742 588641932 /nfs/dbraw/zinc/64/19/32/588641932.db2.gz SMTLLDHLSQZSJI-CABCVRRESA-N 1 0 247.338 2.002 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H](COC)OC)c1ccccc1 ZINC000851902746 588642061 /nfs/dbraw/zinc/64/20/61/588642061.db2.gz SMTLLDHLSQZSJI-LSDHHAIUSA-N 1 0 247.338 2.002 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH+]2CCC(C)(C#N)CC2)C1 ZINC000851912110 588642737 /nfs/dbraw/zinc/64/27/37/588642737.db2.gz JLSAVYYYPGOSDM-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000851913509 588643190 /nfs/dbraw/zinc/64/31/90/588643190.db2.gz YGDDVDFKIOOHAW-MNOVXSKESA-N 1 0 249.276 2.299 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000851918930 588643690 /nfs/dbraw/zinc/64/36/90/588643690.db2.gz GBNLVJSRXMFGDW-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000851924540 588644154 /nfs/dbraw/zinc/64/41/54/588644154.db2.gz PLNRZESVUKVZPN-GFCCVEGCSA-N 1 0 209.333 2.004 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@@H]1CCCO1 ZINC000851949752 588647124 /nfs/dbraw/zinc/64/71/24/588647124.db2.gz ITGSBLCQBLIFEG-MRLBHPIUSA-N 1 0 233.355 2.193 20 30 BEEDRO C#CC[N@H+](C)CCc1nsc2ccccc21 ZINC000851978759 588650916 /nfs/dbraw/zinc/65/09/16/588650916.db2.gz RKGWFUJJAODYSD-UHFFFAOYSA-N 1 0 230.336 2.404 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](OC)C1CCC1 ZINC000851986141 588651792 /nfs/dbraw/zinc/65/17/92/588651792.db2.gz COFSZTSEDOKXGW-LBPRGKRZSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCOCC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000852017723 588655924 /nfs/dbraw/zinc/65/59/24/588655924.db2.gz DMCQXGHEWZFYRH-UHFFFAOYSA-N 1 0 245.322 2.409 20 30 BEEDRO C#CCOCC[NH+]1CCC(CC(F)(F)F)CC1 ZINC000852023872 588656285 /nfs/dbraw/zinc/65/62/85/588656285.db2.gz YVLFFJWQRHOWLR-UHFFFAOYSA-N 1 0 249.276 2.301 20 30 BEEDRO C#CCOCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000852039096 588657181 /nfs/dbraw/zinc/65/71/81/588657181.db2.gz SOGXPNSBIYVITH-UHFFFAOYSA-N 1 0 231.295 2.019 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(CCC)CCC ZINC000852097027 588661920 /nfs/dbraw/zinc/66/19/20/588661920.db2.gz IRVNFVYVPGIGDM-AWEZNQCLSA-N 1 0 238.375 2.027 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1cccc(OC)c1 ZINC000852099900 588662841 /nfs/dbraw/zinc/66/28/41/588662841.db2.gz CIIREZZHDXVARW-HNNXBMFYSA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC1(Br)CC1 ZINC000852103279 588663451 /nfs/dbraw/zinc/66/34/51/588663451.db2.gz CQUSYAKVWIRAFR-VIFPVBQESA-N 1 0 230.149 2.305 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](OC)C1CCC1 ZINC000852104882 588663641 /nfs/dbraw/zinc/66/36/41/588663641.db2.gz PAOIJAFHTNCGRW-OLZOCXBDSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](OC)C1CCC1 ZINC000852104885 588663700 /nfs/dbraw/zinc/66/37/00/588663700.db2.gz PAOIJAFHTNCGRW-STQMWFEESA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000852103623 588663730 /nfs/dbraw/zinc/66/37/30/588663730.db2.gz MVJJSICSPIUPIA-LSDHHAIUSA-N 1 0 249.329 2.121 20 30 BEEDRO C=C(Cl)CN1CCC[N@@H+](CC)C[C@H]1C ZINC000852165664 588668891 /nfs/dbraw/zinc/66/88/91/588668891.db2.gz HCTCTXBTKYXOKR-LLVKDONJSA-N 1 0 216.756 2.155 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000852206326 588671309 /nfs/dbraw/zinc/67/13/09/588671309.db2.gz HCLOZVQOLNYRBB-NWDGAFQWSA-N 1 0 243.297 2.146 20 30 BEEDRO C#CCOCC[NH2+]C1(c2ccccc2F)CCC1 ZINC000852206188 588671796 /nfs/dbraw/zinc/67/17/96/588671796.db2.gz DNBNENXOKURFQW-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C#CCOCC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000852206195 588671983 /nfs/dbraw/zinc/67/19/83/588671983.db2.gz DQHXJSXGQOLQTN-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000852302447 588677628 /nfs/dbraw/zinc/67/76/28/588677628.db2.gz BJWJWAIHTAEMAS-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO CC(C)C(=O)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852319330 588678183 /nfs/dbraw/zinc/67/81/83/588678183.db2.gz KONDQWMHMHNIID-LBPRGKRZSA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCC[NH+]1CCC(c2ccco2)CC1 ZINC000852320890 588678191 /nfs/dbraw/zinc/67/81/91/588678191.db2.gz GXCOATAUNPETMN-UHFFFAOYSA-N 1 0 203.285 2.482 20 30 BEEDRO C[Si](C)(C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000852320137 588678311 /nfs/dbraw/zinc/67/83/11/588678311.db2.gz WYSWJBKVOZWAJX-NSHDSACASA-N 1 0 210.397 2.489 20 30 BEEDRO C=CCN(Cc1cccc(F)n1)[C@@H](C)COC ZINC000852356428 588679619 /nfs/dbraw/zinc/67/96/19/588679619.db2.gz DQAFWVQUUSCIRS-NSHDSACASA-N 1 0 238.306 2.244 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000852410093 588680734 /nfs/dbraw/zinc/68/07/34/588680734.db2.gz HRQQVVZWVSFCGL-YPMHNXCESA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCC(OC)OC)C1 ZINC000852410271 588681357 /nfs/dbraw/zinc/68/13/57/588681357.db2.gz KWNOBHIIDDFTGE-LBPRGKRZSA-N 1 0 227.348 2.284 20 30 BEEDRO C#CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000852520326 588687672 /nfs/dbraw/zinc/68/76/72/588687672.db2.gz GKCNJOUNLYNNMY-JKSUJKDBSA-N 1 0 243.350 2.108 20 30 BEEDRO CCCCCCCN(C)Cc1cn(C)nn1 ZINC000852552936 588689610 /nfs/dbraw/zinc/68/96/10/588689610.db2.gz JPZVURGHUJPMFU-UHFFFAOYSA-N 1 0 224.352 2.217 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)CCN(C)C(=O)OC ZINC000852569117 588691422 /nfs/dbraw/zinc/69/14/22/588691422.db2.gz DHQOJYUOMJRUFT-LBPRGKRZSA-N 1 0 242.363 2.361 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852586837 588692561 /nfs/dbraw/zinc/69/25/61/588692561.db2.gz UHXRHSHGMZYRKU-RYUDHWBXSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCCCN1CCO[C@@H](C(F)(F)F)[C@H]1C ZINC000852600474 588692671 /nfs/dbraw/zinc/69/26/71/588692671.db2.gz AYEFFFSCNSZONR-NXEZZACHSA-N 1 0 235.249 2.051 20 30 BEEDRO C#CCC[NH2+][C@H](CC)c1nnc2n1CCCCC2 ZINC000852628177 588692992 /nfs/dbraw/zinc/69/29/92/588692992.db2.gz PJPCALABPUWWMC-GFCCVEGCSA-N 1 0 246.358 2.069 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000852651173 588694139 /nfs/dbraw/zinc/69/41/39/588694139.db2.gz IZOJKBFZVYNPQQ-OKZRHMCRSA-N 1 0 242.338 2.421 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000852651172 588694179 /nfs/dbraw/zinc/69/41/79/588694179.db2.gz IZOJKBFZVYNPQQ-IALDZJHCSA-N 1 0 242.338 2.421 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000852672485 588695108 /nfs/dbraw/zinc/69/51/08/588695108.db2.gz DFNVZLRWOHVPBG-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C[C@@]1(C#N)CCN(C[C@H](O)c2ccccc2F)C1 ZINC000852685502 588695780 /nfs/dbraw/zinc/69/57/80/588695780.db2.gz XBZLDPNIYCCFPR-KBPBESRZSA-N 1 0 248.301 2.095 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1OCCCO1 ZINC000852685346 588695945 /nfs/dbraw/zinc/69/59/45/588695945.db2.gz FRLQWYKJNRCSOB-BETUJISGSA-N 1 0 237.343 2.323 20 30 BEEDRO C#CC[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC000852693447 588696397 /nfs/dbraw/zinc/69/63/97/588696397.db2.gz HXJIVYAKTAXIHA-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO C#CCOCC[N@@H+]1[C@H](CC)CCC[C@@H]1C ZINC000852710967 588696990 /nfs/dbraw/zinc/69/69/90/588696990.db2.gz BMJCSCIBYJIFOY-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(Cl)CN[C@H](CO)c1ccc(F)cc1F ZINC000852712475 588696996 /nfs/dbraw/zinc/69/69/96/588696996.db2.gz PVJRSXJOPNWSAU-LLVKDONJSA-N 1 0 247.672 2.340 20 30 BEEDRO C#CCCC[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000852713319 588697688 /nfs/dbraw/zinc/69/76/88/588697688.db2.gz CYNPBYRNGRALHZ-ZDUSSCGKSA-N 1 0 239.265 2.001 20 30 BEEDRO C#CCC[N@@H+](CCCC(C)C)CCOC ZINC000852748519 588699593 /nfs/dbraw/zinc/69/95/93/588699593.db2.gz CDLBLXVYTSGLEW-UHFFFAOYSA-N 1 0 211.349 2.394 20 30 BEEDRO C=CCCCC[NH+]1CCC(NC(=O)OC)CC1 ZINC000852765963 588701019 /nfs/dbraw/zinc/70/10/19/588701019.db2.gz YKTKHNNZFADDPR-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C=C1CC[NH2+]CC1 ZINC000852919761 588713270 /nfs/dbraw/zinc/71/32/70/588713270.db2.gz BAEIJONXKVOUOX-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC[C@H](C=C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000860924750 589133389 /nfs/dbraw/zinc/13/33/89/589133389.db2.gz BTKPOUSPTGUTTP-NWDGAFQWSA-N 1 0 225.332 2.247 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000861648451 589172966 /nfs/dbraw/zinc/17/29/66/589172966.db2.gz WQLXUZZDIIUPJV-RYUDHWBXSA-N 1 0 243.395 2.382 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000862235813 589196470 /nfs/dbraw/zinc/19/64/70/589196470.db2.gz COFUAJFYSAANAL-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@@]1(C)CCCS1 ZINC000862247100 589196874 /nfs/dbraw/zinc/19/68/74/589196874.db2.gz RDHQKAYLKZLYCJ-CYBMUJFWSA-N 1 0 221.369 2.231 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862280587 589199373 /nfs/dbraw/zinc/19/93/73/589199373.db2.gz MUVMOHVNSNRXGW-SECBINFHSA-N 1 0 233.327 2.376 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)[C@H]1CCCO1 ZINC000862332111 589201238 /nfs/dbraw/zinc/20/12/38/589201238.db2.gz RRPNRPRTFSOKCH-ADEWGFFLSA-N 1 0 243.297 2.191 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)cn2)CCCS1 ZINC000862335627 589201420 /nfs/dbraw/zinc/20/14/20/589201420.db2.gz LBKIHPWFTWNHTE-ZDUSSCGKSA-N 1 0 247.367 2.329 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2n[nH]cc21)C(C)C ZINC000862362533 589203873 /nfs/dbraw/zinc/20/38/73/589203873.db2.gz ATUNMVBKFDUBRY-CYBMUJFWSA-N 1 0 227.311 2.310 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(C3CC3)o2)CC1 ZINC000862400334 589209446 /nfs/dbraw/zinc/20/94/46/589209446.db2.gz VBLZJYZDNKEVAA-UHFFFAOYSA-N 1 0 230.311 2.397 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnn(C)c2Cl)C1 ZINC000862440026 589212584 /nfs/dbraw/zinc/21/25/84/589212584.db2.gz DRGFEPCAZLNXKR-SNVBAGLBSA-N 1 0 239.750 2.472 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(C)nc2Cl)C1 ZINC000862439999 589212875 /nfs/dbraw/zinc/21/28/75/589212875.db2.gz DCNNWOCZIZSDTO-SNVBAGLBSA-N 1 0 239.750 2.472 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000862441049 589212957 /nfs/dbraw/zinc/21/29/57/589212957.db2.gz NUWMXZORLLVATA-JTQLQIEISA-N 1 0 239.750 2.472 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000862444214 589213938 /nfs/dbraw/zinc/21/39/38/589213938.db2.gz ZQKQQZPMCJETRU-LBPRGKRZSA-N 1 0 203.285 2.433 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000862444027 589214187 /nfs/dbraw/zinc/21/41/87/589214187.db2.gz WLTFYEAGXLKKQX-ZDUSSCGKSA-N 1 0 245.370 2.483 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000862444901 589214292 /nfs/dbraw/zinc/21/42/92/589214292.db2.gz INNWBNZJPDBFIW-NSHDSACASA-N 1 0 230.311 2.397 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000862444919 589214334 /nfs/dbraw/zinc/21/43/34/589214334.db2.gz IXEZVPCKNLFWSM-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OCC)cn2)C1 ZINC000862445159 589214593 /nfs/dbraw/zinc/21/45/93/589214593.db2.gz NHMMEWIDIDSKEV-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC(=O)N(CC)OCC ZINC000862451445 589215426 /nfs/dbraw/zinc/21/54/26/589215426.db2.gz CLRXWKYCHSRFQP-LBPRGKRZSA-N 1 0 242.363 2.121 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CC(C)C ZINC000862548172 589220219 /nfs/dbraw/zinc/22/02/19/589220219.db2.gz ZFIURRHNRAMTGS-QWHCGFSZSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CC(C)C ZINC000862548171 589220188 /nfs/dbraw/zinc/22/01/88/589220188.db2.gz ZFIURRHNRAMTGS-OLZOCXBDSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862548398 589220363 /nfs/dbraw/zinc/22/03/63/589220363.db2.gz FFRXMGPPPNSQSO-CMPLNLGQSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CC(CF)(CF)C1 ZINC000862549075 589220292 /nfs/dbraw/zinc/22/02/92/589220292.db2.gz UQWLRALMHCBRPX-NSHDSACASA-N 1 0 245.313 2.092 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](COC)CC(C)C ZINC000862549070 589220327 /nfs/dbraw/zinc/22/03/27/589220327.db2.gz UPVVFXVLDJYOMF-KBPBESRZSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CCC1CC1 ZINC000862549182 589220331 /nfs/dbraw/zinc/22/03/31/589220331.db2.gz WSARYQWZOIPNQV-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862548538 589220335 /nfs/dbraw/zinc/22/03/35/589220335.db2.gz HUQPTJCTCMSJMH-LBPRGKRZSA-N 1 0 248.326 2.070 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CC(C(C)C)C1 ZINC000862549076 589220444 /nfs/dbraw/zinc/22/04/44/589220444.db2.gz URCHDUXVFRQXSZ-MOKVOYLWSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@@H](C)CC=C ZINC000862549091 589220529 /nfs/dbraw/zinc/22/05/29/589220529.db2.gz VDBFZPMWJWGDSV-YNEHKIRRSA-N 1 0 209.333 2.215 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000862550239 589220799 /nfs/dbraw/zinc/22/07/99/589220799.db2.gz KHZBKLBDKXPBTP-UPJWGTAASA-N 1 0 209.333 2.049 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000862550234 589220830 /nfs/dbraw/zinc/22/08/30/589220830.db2.gz KHZBKLBDKXPBTP-AGIUHOORSA-N 1 0 209.333 2.049 20 30 BEEDRO CCC(=[NH+]NC[C@@H](C)C#N)c1ccc(N)cc1 ZINC000863103908 589256143 /nfs/dbraw/zinc/25/61/43/589256143.db2.gz NULVOXHDRDZIAN-JTQLQIEISA-N 1 0 230.315 2.132 20 30 BEEDRO CC(=NNc1cc[nH+]cc1C)c1csc(C)n1 ZINC000863157730 589263864 /nfs/dbraw/zinc/26/38/64/589263864.db2.gz RPGGJUGDZFNACO-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO Cc1cccc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)n1 ZINC000863160190 589264554 /nfs/dbraw/zinc/26/45/54/589264554.db2.gz UPYPOPPRIVIQSE-JTQLQIEISA-N 1 0 244.342 2.272 20 30 BEEDRO CCn1cncc1C=NNc1cccc(C)n1 ZINC000863160667 589264873 /nfs/dbraw/zinc/26/48/73/589264873.db2.gz OCFSMRLCVOOIOK-UHFFFAOYSA-N 1 0 229.287 2.052 20 30 BEEDRO C[C@@H]1C[C@H]1CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000863455513 589289076 /nfs/dbraw/zinc/28/90/76/589289076.db2.gz LAZMNWXYOIDDSY-PWSUYJOCSA-N 1 0 247.342 2.046 20 30 BEEDRO C=C(C)CON=C(N)C1(OC)CCCC1 ZINC000863478796 589292017 /nfs/dbraw/zinc/29/20/17/589292017.db2.gz WOXHLUAKDQKUFK-UHFFFAOYSA-N 1 0 212.293 2.020 20 30 BEEDRO C=CCOc1ccccc1CN(C)C[C@@H](C)[NH3+] ZINC000863653814 589308344 /nfs/dbraw/zinc/30/83/44/589308344.db2.gz QDRQZVBYJOTKBD-GFCCVEGCSA-N 1 0 234.343 2.030 20 30 BEEDRO C=C(C)CCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864465679 589370863 /nfs/dbraw/zinc/37/08/63/589370863.db2.gz BMBLNNQNQCPPPF-NSHDSACASA-N 1 0 209.337 2.209 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864465926 589370865 /nfs/dbraw/zinc/37/08/65/589370865.db2.gz FBIAWUUDSXSFEP-LLVKDONJSA-N 1 0 223.364 2.455 20 30 BEEDRO CC[C@H]1CCN(C(=[NH2+])NCC(C)(C)CC#N)C1 ZINC000864466231 589371451 /nfs/dbraw/zinc/37/14/51/589371451.db2.gz IPUFZHKEVBPWLZ-NSHDSACASA-N 1 0 236.363 2.183 20 30 BEEDRO C=C(CNC(=[NH2+])N[C@@H]1C[C@H]1C)c1ccccc1 ZINC000864468060 589372227 /nfs/dbraw/zinc/37/22/27/589372227.db2.gz FAZNPZZZPVRNAF-ZWNOBZJWSA-N 1 0 229.327 2.222 20 30 BEEDRO C=C(CNC(=[NH2+])N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000864468057 589372253 /nfs/dbraw/zinc/37/22/53/589372253.db2.gz FAZNPZZZPVRNAF-GWCFXTLKSA-N 1 0 229.327 2.222 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CC[C@@H](CC)C1)C(C)(C)C ZINC000864469856 589372991 /nfs/dbraw/zinc/37/29/91/589372991.db2.gz XNMLFXOYNQPJOO-NEPJUHHUSA-N 1 0 235.375 2.291 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865469730 589438536 /nfs/dbraw/zinc/43/85/36/589438536.db2.gz UKWLLBJZMNUXEJ-JTQLQIEISA-N 1 0 205.305 2.272 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865489237 589440676 /nfs/dbraw/zinc/44/06/76/589440676.db2.gz ATCACCVHIOIFEE-MRVPVSSYSA-N 1 0 218.256 2.198 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865547552 589445401 /nfs/dbraw/zinc/44/54/01/589445401.db2.gz GEHYCWKIESXJEH-UHFFFAOYSA-N 1 0 230.315 2.024 20 30 BEEDRO C=C(C)CC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865587359 589449332 /nfs/dbraw/zinc/44/93/32/589449332.db2.gz MVOPPGFEYUMDIY-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[N@@H+](CC)C(C)C)C1 ZINC000865819467 589463275 /nfs/dbraw/zinc/46/32/75/589463275.db2.gz KGIMBIPYLAEBGS-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000865847191 589464576 /nfs/dbraw/zinc/46/45/76/589464576.db2.gz AFUNRIBIJVCKAD-MEBBXXQBSA-N 1 0 226.323 2.414 20 30 BEEDRO CC(C)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000865848901 589464916 /nfs/dbraw/zinc/46/49/16/589464916.db2.gz QNBHZODPUJRBRX-AWEZNQCLSA-N 1 0 214.312 2.271 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866274705 589483785 /nfs/dbraw/zinc/48/37/85/589483785.db2.gz QZMOZXGDINFXMA-KBPBESRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCc2ncccc21 ZINC000866274400 589483875 /nfs/dbraw/zinc/48/38/75/589483875.db2.gz KEBKNDTVESETBU-ZDUSSCGKSA-N 1 0 214.312 2.462 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866335900 589486665 /nfs/dbraw/zinc/48/66/65/589486665.db2.gz FSVQPLAIPCAAQU-ZDUSSCGKSA-N 1 0 234.343 2.195 20 30 BEEDRO CC1(C)CC[C@@H](O)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000866453060 589494355 /nfs/dbraw/zinc/49/43/55/589494355.db2.gz QMVYIDGGUGZKHV-UMSGYPCISA-N 1 0 236.359 2.208 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000866511643 589498442 /nfs/dbraw/zinc/49/84/42/589498442.db2.gz DTXZAOCNIDBFBL-RZFFKMDDSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616798 589505537 /nfs/dbraw/zinc/50/55/37/589505537.db2.gz BVCRWKYKNYVBQY-KMUNFCNLSA-N 1 0 226.323 2.414 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866618056 589505560 /nfs/dbraw/zinc/50/55/60/589505560.db2.gz UVXITVWCOPRKBS-XHDPSFHLSA-N 1 0 244.338 2.040 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)C2CCCC2)C1 ZINC000866638019 589506699 /nfs/dbraw/zinc/50/66/99/589506699.db2.gz CHAPNWCENUGDDX-MRVWCRGKSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(Cl)CN1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866708305 589514523 /nfs/dbraw/zinc/51/45/23/589514523.db2.gz MMHJUVUBYAMWQB-LBPRGKRZSA-N 1 0 230.783 2.436 20 30 BEEDRO CNC(NCCCC1CCCCC1)=[NH+]C ZINC000122475425 589592471 /nfs/dbraw/zinc/59/24/71/589592471.db2.gz OKTACJGYRFGKSO-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C(=C)C[NH+](C)C ZINC000870283224 589655182 /nfs/dbraw/zinc/65/51/82/589655182.db2.gz IPVXMAZJOUMNRE-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO CC(C)[C@H](C[NH+](C)C)OC(=O)CCCCC#N ZINC000870565639 589676584 /nfs/dbraw/zinc/67/65/84/589676584.db2.gz VTSUNUCHZNNVMZ-LBPRGKRZSA-N 1 0 240.347 2.200 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000870950316 589700856 /nfs/dbraw/zinc/70/08/56/589700856.db2.gz HBQVNSBGYRJAOS-JOCQHMNTSA-N 1 0 238.375 2.367 20 30 BEEDRO CCCCCCCC[N@@H+]1CCO[C@H](CO)C1 ZINC000123513384 589740348 /nfs/dbraw/zinc/74/03/48/589740348.db2.gz YMHNQAMURALPSH-ZDUSSCGKSA-N 1 0 229.364 2.040 20 30 BEEDRO COCC(C)(C)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000871930362 589834445 /nfs/dbraw/zinc/83/44/45/589834445.db2.gz LUKYSAUPWYBNRI-GFCCVEGCSA-N 1 0 237.347 2.082 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000871939325 589835170 /nfs/dbraw/zinc/83/51/70/589835170.db2.gz SPMXILWMQYZQEZ-MGPQQGTHSA-N 1 0 229.327 2.212 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872047819 589860749 /nfs/dbraw/zinc/86/07/49/589860749.db2.gz GKWZYTTWRYFDOX-QWHCGFSZSA-N 1 0 241.400 2.148 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC[C@H]1CCOC1=O ZINC000872114031 589874733 /nfs/dbraw/zinc/87/47/33/589874733.db2.gz SZIMYIBBMJSKQX-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872125700 589876293 /nfs/dbraw/zinc/87/62/93/589876293.db2.gz BFGHCARZALVOGR-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000872139476 589880228 /nfs/dbraw/zinc/88/02/28/589880228.db2.gz FZMBDPZMVKKKET-FDYHWXHSSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000872139644 589880293 /nfs/dbraw/zinc/88/02/93/589880293.db2.gz MUZAKZNPJSNZMF-DHGKCCLASA-N 1 0 221.344 2.334 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2COC(C)(C)C2)CC1 ZINC000872139218 589880440 /nfs/dbraw/zinc/88/04/40/589880440.db2.gz ICWGJZKFNGLJGZ-AVGNSLFASA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCn3ccnc32)CC1 ZINC000872140183 589881290 /nfs/dbraw/zinc/88/12/90/589881290.db2.gz YYBVBVBMZXDGJR-JHJVBQTASA-N 1 0 229.327 2.110 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@H](O)CSC ZINC000872243822 589899431 /nfs/dbraw/zinc/89/94/31/589899431.db2.gz XCPILRISBSWNQN-NSHDSACASA-N 1 0 231.405 2.292 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000872250874 589900704 /nfs/dbraw/zinc/90/07/04/589900704.db2.gz LPOGYWLFOUGUMV-GMTAPVOTSA-N 1 0 249.276 2.081 20 30 BEEDRO C=C(C)COCCNC(=[NH2+])Nc1ccccc1 ZINC000124030294 589906341 /nfs/dbraw/zinc/90/63/41/589906341.db2.gz VKEFVIQKXWCBPU-UHFFFAOYSA-N 1 0 233.315 2.006 20 30 BEEDRO C=C(Br)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312385 589909145 /nfs/dbraw/zinc/90/91/45/589909145.db2.gz SXZJERRBYWWHHO-ZJUUUORDSA-N 1 0 246.148 2.196 20 30 BEEDRO C#CCCCCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316881 589910676 /nfs/dbraw/zinc/91/06/76/589910676.db2.gz ZLBMBLCCUWFKIR-KGLIPLIRSA-N 1 0 221.344 2.481 20 30 BEEDRO C[C@@H]1C(N=Nc2cccc(F)c2)CC[N@@H+]1C ZINC000872345492 589915491 /nfs/dbraw/zinc/91/54/91/589915491.db2.gz QGAYJFCBQVJUPS-SECBINFHSA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@@H]1C(=NOCCC(F)(F)F)CC[N@H+]1C ZINC000872366278 589921227 /nfs/dbraw/zinc/92/12/27/589921227.db2.gz VBUZZGUMRCSATC-SSDOTTSWSA-N 1 0 224.226 2.035 20 30 BEEDRO CCNc1ccccc1C=[NH+]N(C)CCOC ZINC000872373061 589924273 /nfs/dbraw/zinc/92/42/73/589924273.db2.gz YAQIPXGDFXIZJS-UHFFFAOYSA-N 1 0 235.331 2.031 20 30 BEEDRO CN(C)c1ccc(/C=C\C=[NH+]N2CCC2)cc1 ZINC000872398481 589934825 /nfs/dbraw/zinc/93/48/25/589934825.db2.gz SGUADWOQEOOXMP-GLVNIFDPSA-N 1 0 229.327 2.457 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc2nccnc2c1 ZINC000873064389 589982340 /nfs/dbraw/zinc/98/23/40/589982340.db2.gz WPDIRQHPOOAQRG-UHFFFAOYSA-N 1 0 225.295 2.133 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cncc(OC)c2)CC1 ZINC000873198017 589992103 /nfs/dbraw/zinc/99/21/03/589992103.db2.gz MKKXOMOTLXYULO-MQMHXKEQSA-N 1 0 244.338 2.372 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)cnn2C)CC1 ZINC000873197961 589992185 /nfs/dbraw/zinc/99/21/85/589992185.db2.gz KLTMTCRXIDXBRT-JOCQHMNTSA-N 1 0 231.343 2.010 20 30 BEEDRO CC1(C)CC[C@H](CN[C@@H]2CCC[C@@H](C#N)C2)[NH2+]C1 ZINC000873237582 590004626 /nfs/dbraw/zinc/00/46/26/590004626.db2.gz RCWDCVMFZAXEGB-MGPQQGTHSA-N 1 0 249.402 2.437 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@@H]1[NH3+] ZINC000873279604 590017833 /nfs/dbraw/zinc/01/78/33/590017833.db2.gz JLFITTDJJKPGQH-RYUDHWBXSA-N 1 0 210.365 2.448 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000874822668 590141387 /nfs/dbraw/zinc/14/13/87/590141387.db2.gz JVHDRZDHMBJTBD-CHWSQXEVSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000874822669 590141483 /nfs/dbraw/zinc/14/14/83/590141483.db2.gz JVHDRZDHMBJTBD-OLZOCXBDSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000125810413 590191595 /nfs/dbraw/zinc/19/15/95/590191595.db2.gz QHPPCISMZHYRGJ-UHFFFAOYSA-N 1 0 247.338 2.304 20 30 BEEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C#CC2CC2)cc1 ZINC000876538731 590211720 /nfs/dbraw/zinc/21/17/20/590211720.db2.gz VWWPFYPFQDFXDC-SNVBAGLBSA-N 1 0 228.295 2.058 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)CCC ZINC000876546591 590213817 /nfs/dbraw/zinc/21/38/17/590213817.db2.gz ZCYPYAZLBHPGCZ-JTQLQIEISA-N 1 0 232.755 2.105 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1C(=O)OC ZINC000876562423 590216318 /nfs/dbraw/zinc/21/63/18/590216318.db2.gz QFYYSTGJHFMXPG-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)CCC ZINC000876603264 590220768 /nfs/dbraw/zinc/22/07/68/590220768.db2.gz NSHQFIWERQETAW-NXEZZACHSA-N 1 0 232.755 2.103 20 30 BEEDRO C=CC[N@H+](Cc1ccc(=O)[nH]c1)C(C)C ZINC000876601039 590220869 /nfs/dbraw/zinc/22/08/69/590220869.db2.gz XMFIBNQPPLMMHJ-UHFFFAOYSA-N 1 0 206.289 2.184 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC1CC1)C(C)C ZINC000876603120 590220977 /nfs/dbraw/zinc/22/09/77/590220977.db2.gz JRUQHIYZZNNQSC-NSHDSACASA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@@H](C)CC ZINC000876615232 590222498 /nfs/dbraw/zinc/22/24/98/590222498.db2.gz XTVZGERKEWDYFA-SFGNSQDASA-N 1 0 232.755 2.007 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](C)CC1 ZINC000876627592 590223502 /nfs/dbraw/zinc/22/35/02/590223502.db2.gz RXOOAUXWRTYIKZ-GXSJLCMTSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@@H]1C ZINC000876635615 590224179 /nfs/dbraw/zinc/22/41/79/590224179.db2.gz ZRIXEOIPEUQWAV-LSJOCFKGSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](CCC)CC(=O)NC ZINC000876632259 590224402 /nfs/dbraw/zinc/22/44/02/590224402.db2.gz RVLANYQGFQOYDE-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C#CCCCCCC[N@@H+](CCO)CC1CC1 ZINC000876638483 590224700 /nfs/dbraw/zinc/22/47/00/590224700.db2.gz BPLZULRXDUGMKO-UHFFFAOYSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCN(c2ccccc2)C1 ZINC000876638444 590224944 /nfs/dbraw/zinc/22/49/44/590224944.db2.gz ANMYPXFLHNTZKR-HNNXBMFYSA-N 1 0 242.366 2.468 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C(C)(C)CO ZINC000876640342 590225320 /nfs/dbraw/zinc/22/53/20/590225320.db2.gz RFIBTURJCSRDKS-UHFFFAOYSA-N 1 0 211.349 2.273 20 30 BEEDRO CO[C@](C)(C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000876654045 590226074 /nfs/dbraw/zinc/22/60/74/590226074.db2.gz XTPLYPAGFRTXFI-CYBMUJFWSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC000876667256 590227621 /nfs/dbraw/zinc/22/76/21/590227621.db2.gz CDSCOWFCVYKEPI-WCBMZHEXSA-N 1 0 246.782 2.255 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1CC ZINC000876695829 590230011 /nfs/dbraw/zinc/23/00/11/590230011.db2.gz ISXXBUQUSCFAQX-VWYCJHECSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@](C)(CC)C1 ZINC000876693096 590231380 /nfs/dbraw/zinc/23/13/80/590231380.db2.gz PXAWQTWRTVIQOW-PWSUYJOCSA-N 1 0 244.766 2.105 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](OC)C1 ZINC000876745794 590236564 /nfs/dbraw/zinc/23/65/64/590236564.db2.gz LZICTTAMZVAFNQ-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCCC[NH2+]CC(C)(C)N(C)C ZINC000876888904 590254282 /nfs/dbraw/zinc/25/42/82/590254282.db2.gz IPWYQALGLCIDCM-UHFFFAOYSA-N 1 0 224.392 2.500 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)c1ccccc1 ZINC000876889743 590254352 /nfs/dbraw/zinc/25/43/52/590254352.db2.gz PMXBCXNKXROKHW-JSGCOSHPSA-N 1 0 232.327 2.249 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876896393 590254693 /nfs/dbraw/zinc/25/46/93/590254693.db2.gz BXLBHYKXVOHTIE-QMMMGPOBSA-N 1 0 235.718 2.495 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000126233431 590255620 /nfs/dbraw/zinc/25/56/20/590255620.db2.gz YLKKVMYKIATZAZ-HNNXBMFYSA-N 1 0 247.313 2.440 20 30 BEEDRO CC(C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876910848 590255819 /nfs/dbraw/zinc/25/58/19/590255819.db2.gz OIBATFYZZSLCQP-UHFFFAOYSA-N 1 0 209.680 2.105 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876930857 590258114 /nfs/dbraw/zinc/25/81/14/590258114.db2.gz FAMJRGMMWQJIDA-WCBMZHEXSA-N 1 0 235.718 2.352 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1ccnn1C ZINC000876928011 590258420 /nfs/dbraw/zinc/25/84/20/590258420.db2.gz RAULKGJVFAPDMG-UHFFFAOYSA-N 1 0 219.332 2.093 20 30 BEEDRO C#CCCCCCC[NH2+]CCn1cccn1 ZINC000876958911 590261604 /nfs/dbraw/zinc/26/16/04/590261604.db2.gz DGQGRHCKTJVSNG-UHFFFAOYSA-N 1 0 219.332 2.056 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC000876976407 590263336 /nfs/dbraw/zinc/26/33/36/590263336.db2.gz LJCJNWXORFSIBP-JTQLQIEISA-N 1 0 244.766 2.151 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)n1)C1(C)CC1 ZINC000876976931 590263809 /nfs/dbraw/zinc/26/38/09/590263809.db2.gz PPYMYCQYLDZQOY-SNVBAGLBSA-N 1 0 215.300 2.231 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](C)COC ZINC000876987343 590264940 /nfs/dbraw/zinc/26/49/40/590264940.db2.gz UPPWNVJAMIUCFX-ZDUSSCGKSA-N 1 0 211.349 2.442 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)CC(C)C ZINC000877032076 590271353 /nfs/dbraw/zinc/27/13/53/590271353.db2.gz YHAYQDDNCKFJCN-NSHDSACASA-N 1 0 246.782 2.351 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000877039403 590272972 /nfs/dbraw/zinc/27/29/72/590272972.db2.gz DTMAGCRLKLRWCI-UKRRQHHQSA-N 1 0 246.354 2.424 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc(C)n[nH]1 ZINC000877057836 590275685 /nfs/dbraw/zinc/27/56/85/590275685.db2.gz QAZYNKBXMQUTSX-UHFFFAOYSA-N 1 0 219.332 2.391 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+]C2CCC(C#N)CC2)o1 ZINC000877058595 590276094 /nfs/dbraw/zinc/27/60/94/590276094.db2.gz CSNNMLRHGUZIDP-WXRRBKDZSA-N 1 0 248.326 2.293 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C)cc1O ZINC000877070231 590277182 /nfs/dbraw/zinc/27/71/82/590277182.db2.gz MIHPJBPRXUHXLN-UHFFFAOYSA-N 1 0 203.285 2.204 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCOC1CCC1 ZINC000877070004 590277310 /nfs/dbraw/zinc/27/73/10/590277310.db2.gz RYIMJBRRGACTFJ-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@](O)(C[NH2+]C1CCC(C#N)CC1)c1ccco1 ZINC000877072064 590277901 /nfs/dbraw/zinc/27/79/01/590277901.db2.gz HFYMIKYNJXNLHE-ORHYLEIMSA-N 1 0 248.326 2.159 20 30 BEEDRO C#CCCCC[NH2+]Cc1cc(OC)cnc1F ZINC000877087710 590280613 /nfs/dbraw/zinc/28/06/13/590280613.db2.gz QBFVHRXFLDWVTJ-UHFFFAOYSA-N 1 0 236.290 2.122 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)CCCO ZINC000877109881 590286892 /nfs/dbraw/zinc/28/68/92/590286892.db2.gz STDGEGTWXRWJPC-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cccc(F)n2)CC1 ZINC000877115645 590288450 /nfs/dbraw/zinc/28/84/50/590288450.db2.gz SGXMBWSPYWXNRI-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@](C)(CC)C1CC1 ZINC000877146409 590292149 /nfs/dbraw/zinc/29/21/49/590292149.db2.gz SELHAGGWVWMKJY-ZYHUDNBSSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@](C)(CC)C1CC1 ZINC000877146407 590292376 /nfs/dbraw/zinc/29/23/76/590292376.db2.gz SELHAGGWVWMKJY-PWSUYJOCSA-N 1 0 244.766 2.151 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877153134 590292752 /nfs/dbraw/zinc/29/27/52/590292752.db2.gz FLCYKKCSWWFHBQ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000877149688 590292949 /nfs/dbraw/zinc/29/29/49/590292949.db2.gz QCYXRMMCJVVBJK-NSHDSACASA-N 1 0 242.750 2.427 20 30 BEEDRO C#CCCCCCCN(C)Cc1nccn1C ZINC000877169025 590296091 /nfs/dbraw/zinc/29/60/91/590296091.db2.gz CZBIZLGGIVIITA-UHFFFAOYSA-N 1 0 233.359 2.436 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000877204494 590300828 /nfs/dbraw/zinc/30/08/28/590300828.db2.gz GJEOLDRVEQHCPO-SECBINFHSA-N 1 0 244.747 2.465 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000877204829 590300965 /nfs/dbraw/zinc/30/09/65/590300965.db2.gz PUUIPNFVVGZVLE-ONGXEEELSA-N 1 0 244.766 2.151 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000877326629 590306585 /nfs/dbraw/zinc/30/65/85/590306585.db2.gz ZWUGDQMQOZQAQQ-XJKSGUPXSA-N 1 0 243.416 2.269 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC[C@H](C)[NH3+] ZINC000877303850 590310856 /nfs/dbraw/zinc/31/08/56/590310856.db2.gz OVXPWNFHZMLWPH-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877304413 590310873 /nfs/dbraw/zinc/31/08/73/590310873.db2.gz ZYEZOIXIWRBXLN-UHFFFAOYSA-N 1 0 234.690 2.000 20 30 BEEDRO C[C@H](CCc1cccnc1)[NH2+]C[C@H](C)C#N ZINC000877321884 590313327 /nfs/dbraw/zinc/31/33/27/590313327.db2.gz VKOANMDDPHRTPX-VXGBXAGGSA-N 1 0 217.316 2.152 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000877321296 590313461 /nfs/dbraw/zinc/31/34/61/590313461.db2.gz HOEVFVLEMZTODW-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1c(C)cccc1OC ZINC000877339158 590318255 /nfs/dbraw/zinc/31/82/55/590318255.db2.gz TUZSDFBBIODRPZ-LBPRGKRZSA-N 1 0 235.327 2.030 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(C(=O)OC)CC1 ZINC000877424086 590325190 /nfs/dbraw/zinc/32/51/90/590325190.db2.gz FOASCVWTKIJHES-UHFFFAOYSA-N 1 0 237.343 2.113 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877432363 590326012 /nfs/dbraw/zinc/32/60/12/590326012.db2.gz CCEYPLRFNDBKOR-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@H]1CCO ZINC000877435637 590326644 /nfs/dbraw/zinc/32/66/44/590326644.db2.gz VJIYISHFIGGXMB-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@]12CCOC2=O ZINC000877432731 590327164 /nfs/dbraw/zinc/32/71/64/590327164.db2.gz GAMOHZGHOLVAPW-OAHLLOKOSA-N 1 0 249.354 2.352 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCC=CO2)CC1 ZINC000877460927 590331353 /nfs/dbraw/zinc/33/13/53/590331353.db2.gz YMORIEZNRFXBQN-BPCQOVAHSA-N 1 0 220.316 2.351 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000877493860 590340646 /nfs/dbraw/zinc/34/06/46/590340646.db2.gz IUIDTGQAWBUEHH-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO C[C@@H](CCc1cccnc1)[NH2+]CC1(C#N)CC1 ZINC000877494874 590340836 /nfs/dbraw/zinc/34/08/36/590340836.db2.gz VHWCOEVSEKCHEE-LBPRGKRZSA-N 1 0 229.327 2.296 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CCSCC1)C(C)C ZINC000877513382 590341780 /nfs/dbraw/zinc/34/17/80/590341780.db2.gz UEVNVFRMLZOEIU-GFCCVEGCSA-N 1 0 211.374 2.377 20 30 BEEDRO C#CCCCCCC[NH2+]CCC1(O)CCC1 ZINC000877508219 590342782 /nfs/dbraw/zinc/34/27/82/590342782.db2.gz SRINNWVGTVLGTK-UHFFFAOYSA-N 1 0 223.360 2.465 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000877512798 590343732 /nfs/dbraw/zinc/34/37/32/590343732.db2.gz BWIXQAAQGHXSRK-CHWSQXEVSA-N 1 0 234.343 2.087 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)C(C)C ZINC000877513378 590343659 /nfs/dbraw/zinc/34/36/59/590343659.db2.gz TXYVELABYCYIFP-ZDUSSCGKSA-N 1 0 245.370 2.046 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000877512792 590343739 /nfs/dbraw/zinc/34/37/39/590343739.db2.gz BTOBJAJTMQOVKP-AAEUAGOBSA-N 1 0 232.327 2.023 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877513092 590343852 /nfs/dbraw/zinc/34/38/52/590343852.db2.gz KWTGEELYSUZIGI-ZDUSSCGKSA-N 1 0 217.312 2.448 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](CC(C)C)OC)C(C)C ZINC000877513072 590344071 /nfs/dbraw/zinc/34/40/71/590344071.db2.gz KIWVINUTJMNQIY-QWHCGFSZSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)cc1O)C(C)C ZINC000877513091 590344092 /nfs/dbraw/zinc/34/40/92/590344092.db2.gz KWTGEELYSUZIGI-CYBMUJFWSA-N 1 0 217.312 2.448 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000877512794 590344102 /nfs/dbraw/zinc/34/41/02/590344102.db2.gz BTOBJAJTMQOVKP-WCQYABFASA-N 1 0 232.327 2.023 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000877514438 590344520 /nfs/dbraw/zinc/34/45/20/590344520.db2.gz OBIRPFCNRBABIZ-SCRDCRAPSA-N 1 0 217.312 2.374 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@](C)(OC)C1CC1)C(C)C ZINC000877513428 590344673 /nfs/dbraw/zinc/34/46/73/590344673.db2.gz VTZUMRRGTKLDOK-QWHCGFSZSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000877513656 590345026 /nfs/dbraw/zinc/34/50/26/590345026.db2.gz BTNVQPBMYQQAJY-SNVBAGLBSA-N 1 0 225.295 2.050 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000877513805 590345135 /nfs/dbraw/zinc/34/51/35/590345135.db2.gz CRZRCSRGZPOYGR-STQMWFEESA-N 1 0 213.324 2.403 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000877514855 590345294 /nfs/dbraw/zinc/34/52/94/590345294.db2.gz WIQALPVGNAJMCI-NWDGAFQWSA-N 1 0 202.301 2.014 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000877514854 590345938 /nfs/dbraw/zinc/34/59/38/590345938.db2.gz WIQALPVGNAJMCI-NEPJUHHUSA-N 1 0 202.301 2.014 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(n2cccn2)C1)C(C)(C)C ZINC000877535331 590350382 /nfs/dbraw/zinc/35/03/82/590350382.db2.gz ZLWYVUFAXKUAGV-BPCQOVAHSA-N 1 0 231.343 2.224 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H]1COC ZINC000877551334 590354957 /nfs/dbraw/zinc/35/49/57/590354957.db2.gz ZPBFDUQRGLJJSA-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCCC[NH+]1CC2(C1)CCOC2 ZINC000877555392 590356883 /nfs/dbraw/zinc/35/68/83/590356883.db2.gz WTMITBBHMAEDMD-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000877554607 590356925 /nfs/dbraw/zinc/35/69/25/590356925.db2.gz KURCUJNZMYRLIG-OLZOCXBDSA-N 1 0 224.348 2.021 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000877564545 590360664 /nfs/dbraw/zinc/36/06/64/590360664.db2.gz DUCCDJHJMJRHJS-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877566383 590361049 /nfs/dbraw/zinc/36/10/49/590361049.db2.gz YJXSNVSZKAABBG-UHFFFAOYSA-N 1 0 225.723 2.432 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000877571498 590361517 /nfs/dbraw/zinc/36/15/17/590361517.db2.gz BATHTYNXTNNSKX-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CC)[C@@H](C)O ZINC000877568616 590362043 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590998492 /nfs/dbraw/zinc/99/84/92/590998492.db2.gz BHDCCHSJIIJDDV-WDEREUQCSA-N 1 0 249.276 2.442 20 30 BEEDRO C=CCCC[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000880390344 591019756 /nfs/dbraw/zinc/01/97/56/591019756.db2.gz ZAOXDWWGIMZNMR-ZDUSSCGKSA-N 1 0 232.327 2.159 20 30 BEEDRO CC[N@H+](CCCC#N)[C@@H](CO)c1ccccc1 ZINC000880459515 591050507 /nfs/dbraw/zinc/05/05/07/591050507.db2.gz GKGXQFGWBQAXRH-AWEZNQCLSA-N 1 0 232.327 2.346 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000880477542 591054905 /nfs/dbraw/zinc/05/49/05/591054905.db2.gz JUJJNTTUXZPCDO-UHFFFAOYSA-N 1 0 247.313 2.176 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@H](C)CCC)CC1 ZINC000880483368 591057086 /nfs/dbraw/zinc/05/70/86/591057086.db2.gz AHBNGYZPGXKKND-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880515375 591083066 /nfs/dbraw/zinc/08/30/66/591083066.db2.gz KEUHQEJJGHYLLZ-MCIONIFRSA-N 1 0 221.344 2.480 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880516052 591083615 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ZINC000883209985 591574182 /nfs/dbraw/zinc/57/41/82/591574182.db2.gz KXFCSGUTIZVGOR-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cocn1)[C@@H]1CCCO1 ZINC000883211746 591575283 /nfs/dbraw/zinc/57/52/83/591575283.db2.gz UYEHKNCHHJDDBB-OLZOCXBDSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC[C@@H](C)O)[C@H]1CCCO1 ZINC000883219569 591576168 /nfs/dbraw/zinc/57/61/68/591576168.db2.gz VWNWZTWPYSMMQX-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCCO1 ZINC000883218091 591576623 /nfs/dbraw/zinc/57/66/23/591576623.db2.gz UFGWRRRTRQAHFU-CHWSQXEVSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000883391472 591643425 /nfs/dbraw/zinc/64/34/25/591643425.db2.gz LHSXLUBHFSWKSM-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC1([NH2+]Cc2ccns2)CCCC1 ZINC000883361380 591631114 /nfs/dbraw/zinc/63/11/14/591631114.db2.gz BHHIXGNMVIXOET-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO C#CC1([NH2+]Cc2cnccc2C)CCCC1 ZINC000883363185 591632142 /nfs/dbraw/zinc/63/21/42/591632142.db2.gz XIDZWIQYWSISDZ-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1nccs1 ZINC000883390752 591637050 /nfs/dbraw/zinc/63/70/50/591637050.db2.gz SYOSBQHHSYABAS-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)C1CCSCC1 ZINC000883391273 591638012 /nfs/dbraw/zinc/63/80/12/591638012.db2.gz HDPYANRRDFZFLO-YPMHNXCESA-N 1 0 243.416 2.435 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883381692 591638357 /nfs/dbraw/zinc/63/83/57/591638357.db2.gz RFQPWDDFVNECMA-YPMHNXCESA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)C1CCOCC1 ZINC000883389994 591641041 /nfs/dbraw/zinc/64/10/41/591641041.db2.gz CNOYMPMIROVZAG-ZIAGYGMSSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000883390157 591641239 /nfs/dbraw/zinc/64/12/39/591641239.db2.gz GXACKRUHPSCATJ-FRRDWIJNSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000883389983 591641799 /nfs/dbraw/zinc/64/17/99/591641799.db2.gz CKFAIRJMSQNWPM-ZWNOBZJWSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cncs1 ZINC000883390868 591642629 /nfs/dbraw/zinc/64/26/29/591642629.db2.gz WTUKDWVBJYQXNA-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccoc1 ZINC000883390746 591642643 /nfs/dbraw/zinc/64/26/43/591642643.db2.gz SPGQBMIXFFTDFJ-ZYHUDNBSSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccncc1 ZINC000883390983 591643150 /nfs/dbraw/zinc/64/31/50/591643150.db2.gz YZEWHGGQXVILER-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000883391208 591643731 /nfs/dbraw/zinc/64/37/31/591643731.db2.gz GDCPVZKNFWDOJQ-JHJVBQTASA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883392160 591643784 /nfs/dbraw/zinc/64/37/84/591643784.db2.gz BEQCWKSIMVQPAX-DGAVXFQQSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883392163 591644064 /nfs/dbraw/zinc/64/40/64/591644064.db2.gz BEQCWKSIMVQPAX-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000883392412 591645339 /nfs/dbraw/zinc/64/53/39/591645339.db2.gz HHJRPEAEMWWVBC-AGIUHOORSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccoc1C ZINC000883399892 591645735 /nfs/dbraw/zinc/64/57/35/591645735.db2.gz XWBKSIAXSLEDDI-GFCCVEGCSA-N 1 0 209.289 2.005 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000883400313 591647847 /nfs/dbraw/zinc/64/78/47/591647847.db2.gz JFSWJTDTNDCGFL-CQSZACIVSA-N 1 0 249.354 2.426 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000883401324 591648354 /nfs/dbraw/zinc/64/83/54/591648354.db2.gz KBKBFRWODQNMIY-CQSZACIVSA-N 1 0 247.338 2.038 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccsc1 ZINC000883401517 591648860 /nfs/dbraw/zinc/64/88/60/591648860.db2.gz ORNZDOXTHQJSGU-NSHDSACASA-N 1 0 211.330 2.165 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccs1 ZINC000883401536 591649072 /nfs/dbraw/zinc/64/90/72/591649072.db2.gz PFTWSLBDUPSXFU-JTQLQIEISA-N 1 0 211.330 2.165 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccnc1Cl ZINC000883401446 591649074 /nfs/dbraw/zinc/64/90/74/591649074.db2.gz MZLLKFCXHONJHP-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000883455798 591672768 /nfs/dbraw/zinc/67/27/68/591672768.db2.gz LAYJUUPJRVGXCL-HNNXBMFYSA-N 1 0 246.354 2.218 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000883455799 591673031 /nfs/dbraw/zinc/67/30/31/591673031.db2.gz LAYJUUPJRVGXCL-OAHLLOKOSA-N 1 0 246.354 2.218 20 30 BEEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)O)cc1 ZINC000132371924 591705923 /nfs/dbraw/zinc/70/59/23/591705923.db2.gz SRGHCLKKZZGOJX-WDEREUQCSA-N 1 0 249.358 2.308 20 30 BEEDRO C=CCOC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000132504872 591714865 /nfs/dbraw/zinc/71/48/65/591714865.db2.gz KLCNNZUCBFJXHR-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCOC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000132602796 591725186 /nfs/dbraw/zinc/72/51/86/591725186.db2.gz PHFNVGDQLNKEMN-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000884013612 591798845 /nfs/dbraw/zinc/79/88/45/591798845.db2.gz NTISZMKXKGPWEC-RYUDHWBXSA-N 1 0 238.375 2.317 20 30 BEEDRO CC(C)C(N)=[NH+]OCCCC(C)(C)C#N ZINC000133686983 591848642 /nfs/dbraw/zinc/84/86/42/591848642.db2.gz KRVNJLBMFVHBHO-UHFFFAOYSA-N 1 0 211.309 2.261 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000884247753 591883352 /nfs/dbraw/zinc/88/33/52/591883352.db2.gz DSFIXKDNGISJLZ-CQSZACIVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000884277091 591892279 /nfs/dbraw/zinc/89/22/79/591892279.db2.gz GUMILJGJOUZWKP-GFCCVEGCSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000884287203 591894956 /nfs/dbraw/zinc/89/49/56/591894956.db2.gz VQTLTJFRNPVZDD-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000884287101 591895107 /nfs/dbraw/zinc/89/51/07/591895107.db2.gz SRABUVPLSYYATL-DMDPSCGWSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000884336007 591905110 /nfs/dbraw/zinc/90/51/10/591905110.db2.gz GNQHHNSMWWFTGL-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000884415660 591927834 /nfs/dbraw/zinc/92/78/34/591927834.db2.gz BZQXPUQAQGBPDZ-LLVKDONJSA-N 1 0 226.364 2.078 20 30 BEEDRO C[C@@H]1CNC(NN=C2CC(C)(C)CC[C@@H]2C)=[NH+]1 ZINC000884448096 591937444 /nfs/dbraw/zinc/93/74/44/591937444.db2.gz RIMPAHNZPAOOAA-VHSXEESVSA-N 1 0 236.363 2.126 20 30 BEEDRO CCCC(N)=[NH+]OCCCC(C)(C)C#N ZINC000135500040 592014866 /nfs/dbraw/zinc/01/48/66/592014866.db2.gz ZWZCQCYPHSFAHC-UHFFFAOYSA-N 1 0 211.309 2.405 20 30 BEEDRO C[C@@H]1C[C@H](C[NH3+])CN1c1cc(Cl)ccc1C#N ZINC000216211753 592014951 /nfs/dbraw/zinc/01/49/51/592014951.db2.gz QYQURWJOORQIBZ-NXEZZACHSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885941966 592111714 /nfs/dbraw/zinc/11/17/14/592111714.db2.gz ICTMCTJRWUSAGX-YPMHNXCESA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1C[C@]12CCOC2 ZINC000885954033 592113985 /nfs/dbraw/zinc/11/39/85/592113985.db2.gz LLXMHPXGTRGCGH-OLZOCXBDSA-N 1 0 207.317 2.087 20 30 BEEDRO CC(C)[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885955802 592114357 /nfs/dbraw/zinc/11/43/57/592114357.db2.gz BDXWSCUSBXQHJY-ZDUSSCGKSA-N 1 0 236.359 2.304 20 30 BEEDRO C=CC[N@H+](C[C@H](O)CC1(C#N)CCC1)C(C)C ZINC000885959663 592116210 /nfs/dbraw/zinc/11/62/10/592116210.db2.gz ATBYERGDDAFHEX-CYBMUJFWSA-N 1 0 236.359 2.328 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885983980 592121177 /nfs/dbraw/zinc/12/11/77/592121177.db2.gz UWVLQJCOPMGGMR-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO CCC[N@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000885985674 592121771 /nfs/dbraw/zinc/12/17/71/592121771.db2.gz NJLLKIOIYFHKQU-CYBMUJFWSA-N 1 0 236.359 2.306 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886003432 592127332 /nfs/dbraw/zinc/12/73/32/592127332.db2.gz CKBXUKBSODDVOQ-STQMWFEESA-N 1 0 207.317 2.065 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886005921 592128009 /nfs/dbraw/zinc/12/80/09/592128009.db2.gz LLKZTVKTDWQGIG-KGLIPLIRSA-N 1 0 221.344 2.311 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886005923 592128481 /nfs/dbraw/zinc/12/84/81/592128481.db2.gz LLKZTVKTDWQGIG-UONOGXRCSA-N 1 0 221.344 2.311 20 30 BEEDRO C#CC[N@H+](CC)CCSC(F)(F)F ZINC000886032391 592136405 /nfs/dbraw/zinc/13/64/05/592136405.db2.gz FKZFQSABHLUWSR-UHFFFAOYSA-N 1 0 211.252 2.195 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886037305 592138304 /nfs/dbraw/zinc/13/83/04/592138304.db2.gz HTZDCGKJYKGNBZ-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886038859 592139577 /nfs/dbraw/zinc/13/95/77/592139577.db2.gz CIDAHMNLKGZXEL-FRRDWIJNSA-N 1 0 236.359 2.304 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC1 ZINC000886083421 592144653 /nfs/dbraw/zinc/14/46/53/592144653.db2.gz JOZIFXMPVJZZRB-MBNYWOFBSA-N 1 0 234.343 2.037 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](C3CC3)C2)CCC1 ZINC000886098735 592148139 /nfs/dbraw/zinc/14/81/39/592148139.db2.gz QOKLBHLZRLFCCZ-KBPBESRZSA-N 1 0 248.370 2.163 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886168447 592168143 /nfs/dbraw/zinc/16/81/43/592168143.db2.gz QZXZXSMPVONKKI-KGLIPLIRSA-N 1 0 239.359 2.078 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCSC(F)(F)F ZINC000886173665 592169169 /nfs/dbraw/zinc/16/91/69/592169169.db2.gz WIKKVCBQVXVQNN-SSDOTTSWSA-N 1 0 211.252 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(C)co1 ZINC000886173623 592169716 /nfs/dbraw/zinc/16/97/16/592169716.db2.gz VEUSNHOYNHMHCH-GFCCVEGCSA-N 1 0 221.300 2.106 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886176692 592170493 /nfs/dbraw/zinc/17/04/93/592170493.db2.gz JETYPUCUSFYBNK-KBPBESRZSA-N 1 0 248.370 2.472 20 30 BEEDRO CC1=C(C)C[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886184125 592172084 /nfs/dbraw/zinc/17/20/84/592172084.db2.gz UWSAFISFHGDXBL-CQSZACIVSA-N 1 0 248.370 2.473 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000886213257 592178016 /nfs/dbraw/zinc/17/80/16/592178016.db2.gz OUIXQLMNFDJKSQ-CABCVRRESA-N 1 0 232.371 2.030 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000886220249 592178867 /nfs/dbraw/zinc/17/88/67/592178867.db2.gz FLDYWYZMOYAECT-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886274167 592194836 /nfs/dbraw/zinc/19/48/36/592194836.db2.gz NTVPNOMYDCEBHR-MELADBBJSA-N 1 0 234.343 2.039 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC3(CCC3)CO2)o1 ZINC000886289252 592202171 /nfs/dbraw/zinc/20/21/71/592202171.db2.gz RACGKRLACKNTHB-ZDUSSCGKSA-N 1 0 246.310 2.200 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000886356070 592215957 /nfs/dbraw/zinc/21/59/57/592215957.db2.gz STEWVLFZXRKLOB-DZGCQCFKSA-N 1 0 229.323 2.065 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)OCCCC)C1 ZINC000886357062 592216028 /nfs/dbraw/zinc/21/60/28/592216028.db2.gz ALBSOFIZAANDJT-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000886356227 592216045 /nfs/dbraw/zinc/21/60/45/592216045.db2.gz WKNAYAFAZIJGST-IUODEOHRSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000886355808 592216280 /nfs/dbraw/zinc/21/62/80/592216280.db2.gz NZZZXROJUIWRDL-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC(=C)Br)C1 ZINC000886355930 592216401 /nfs/dbraw/zinc/21/64/01/592216401.db2.gz QGXCJWZGJPLAKP-JTQLQIEISA-N 1 0 228.133 2.240 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000886362506 592217747 /nfs/dbraw/zinc/21/77/47/592217747.db2.gz AGISWKMFJKJBCO-CYBMUJFWSA-N 1 0 232.327 2.179 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000886363907 592217972 /nfs/dbraw/zinc/21/79/72/592217972.db2.gz HWJQWPUHTBGHOD-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000886363897 592218394 /nfs/dbraw/zinc/21/83/94/592218394.db2.gz HPMZIHOJUQJBPS-KGLIPLIRSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC[C@@H]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000886365687 592219355 /nfs/dbraw/zinc/21/93/55/592219355.db2.gz NSJQZYKRBZEOOK-OWCLPIDISA-N 1 0 248.414 2.310 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000886365140 592219681 /nfs/dbraw/zinc/21/96/81/592219681.db2.gz AQECEGQEWILAMT-KGLIPLIRSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000886365636 592219906 /nfs/dbraw/zinc/21/99/06/592219906.db2.gz MYVGOADLQWQGAT-GOEBONIOSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CCC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000886381570 592221508 /nfs/dbraw/zinc/22/15/08/592221508.db2.gz IOCHJXSDHZQBAA-UHFFFAOYSA-N 1 0 245.322 2.054 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(C)nc2)CCOCC1 ZINC000886378834 592221628 /nfs/dbraw/zinc/22/16/28/592221628.db2.gz CSEJBSWFEPAUIR-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886547580 592257289 /nfs/dbraw/zinc/25/72/89/592257289.db2.gz NQRKSWWXWDIUSI-NSHDSACASA-N 1 0 227.739 2.459 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886547726 592257440 /nfs/dbraw/zinc/25/74/40/592257440.db2.gz QNAAYWMFRPFKCB-MNOVXSKESA-N 1 0 248.326 2.483 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC000886629793 592282519 /nfs/dbraw/zinc/28/25/19/592282519.db2.gz NQFYAJGRIMKNTK-KGYLQXTDSA-N 1 0 227.311 2.351 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886631003 592282536 /nfs/dbraw/zinc/28/25/36/592282536.db2.gz ADGSQZNPGCKIPO-CHWSQXEVSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cncc(C(=O)OC)c1 ZINC000886636710 592286587 /nfs/dbraw/zinc/28/65/87/592286587.db2.gz SRKZLVWQXLJEPY-SNVBAGLBSA-N 1 0 234.299 2.095 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886651591 592290287 /nfs/dbraw/zinc/29/02/87/592290287.db2.gz KNQFFAWFEWQHIT-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000886659880 592292092 /nfs/dbraw/zinc/29/20/92/592292092.db2.gz XRXAWKSMTBFIOJ-STQMWFEESA-N 1 0 232.327 2.028 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CCCC)C1 ZINC000886659724 592292924 /nfs/dbraw/zinc/29/29/24/592292924.db2.gz UHQUHZRVFTUTFY-UONOGXRCSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1 ZINC000886659163 592293258 /nfs/dbraw/zinc/29/32/58/592293258.db2.gz DUJCMPGWUYCVDB-MJBXVCDLSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000886660771 592293486 /nfs/dbraw/zinc/29/34/86/592293486.db2.gz FVJWLVQFMWAGNM-DZGCQCFKSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000886660612 592293789 /nfs/dbraw/zinc/29/37/89/592293789.db2.gz BCBZVQUEOODWET-HUUCEWRRSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CCC=C)C1 ZINC000886662275 592294291 /nfs/dbraw/zinc/29/42/91/592294291.db2.gz ARNCTMRZKJECSR-KGLIPLIRSA-N 1 0 220.360 2.028 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000886663340 592295310 /nfs/dbraw/zinc/29/53/10/592295310.db2.gz YQWVHCVRYUENAG-CABCVRRESA-N 1 0 246.398 2.396 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686331 592304517 /nfs/dbraw/zinc/30/45/17/592304517.db2.gz NRFXKJGPNCWNGP-OLZOCXBDSA-N 1 0 244.342 2.348 20 30 BEEDRO C=CCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886707326 592309488 /nfs/dbraw/zinc/30/94/88/592309488.db2.gz DUNBIVDLIZEIFI-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cnccc2C)CC1 ZINC000886774558 592319899 /nfs/dbraw/zinc/31/98/99/592319899.db2.gz PXOMWQPAAZRCEM-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)o1 ZINC000886815428 592334596 /nfs/dbraw/zinc/33/45/96/592334596.db2.gz DKLILAFEFHVGKT-RISCZKNCSA-N 1 0 246.310 2.152 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)o1 ZINC000886815426 592335695 /nfs/dbraw/zinc/33/56/95/592335695.db2.gz DKLILAFEFHVGKT-BXUZGUMPSA-N 1 0 246.310 2.152 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886815676 592338031 /nfs/dbraw/zinc/33/80/31/592338031.db2.gz IAVYRHVRNFCMRI-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886815674 592338289 /nfs/dbraw/zinc/33/82/89/592338289.db2.gz IAVYRHVRNFCMRI-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821734 592345332 /nfs/dbraw/zinc/34/53/32/592345332.db2.gz GNMYPOLFUJOVND-MJBXVCDLSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886830051 592352247 /nfs/dbraw/zinc/35/22/47/592352247.db2.gz LNXYKBXPXXENAS-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO CC#CCC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979229 592402757 /nfs/dbraw/zinc/40/27/57/592402757.db2.gz DQWHUNRBRRXVIQ-UHFFFAOYSA-N 1 0 221.344 2.075 20 30 BEEDRO C=CCCCCCNC(=[NH2+])NCC(F)F ZINC000887362835 592491284 /nfs/dbraw/zinc/49/12/84/592491284.db2.gz ATWHIELBZUPEQP-UHFFFAOYSA-N 1 0 219.279 2.112 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000301763588 592538395 /nfs/dbraw/zinc/53/83/95/592538395.db2.gz ZGUNOSWTMCNUQV-UHFFFAOYSA-N 1 0 234.343 2.045 20 30 BEEDRO COc1ccccc1[C@@H](C)[NH2+]CCO[C@H](C)C#N ZINC000302370710 592546636 /nfs/dbraw/zinc/54/66/36/592546636.db2.gz KUSGRGDLHHIGNK-VXGBXAGGSA-N 1 0 248.326 2.274 20 30 BEEDRO CCCC[C@@H](CC)CNC(=[NH2+])N[C@@H](C)COC ZINC000104152024 592602252 /nfs/dbraw/zinc/60/22/52/592602252.db2.gz PWQMEIHYTVBUEH-NWDGAFQWSA-N 1 0 243.395 2.142 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176792 592603203 /nfs/dbraw/zinc/60/32/03/592603203.db2.gz GJJFORZHYTYRFF-UHFFFAOYSA-N 1 0 245.370 2.326 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000829250471 592707684 /nfs/dbraw/zinc/70/76/84/592707684.db2.gz FZPUNDYMCDFVNP-ONGXEEELSA-N 1 0 217.740 2.222 20 30 BEEDRO CC(C[NH+]1CCCCCC1)N=Nc1ccncc1 ZINC000777446176 634381684 /nfs/dbraw/zinc/38/16/84/634381684.db2.gz FKQHRZOBYPRBFK-UHFFFAOYSA-N 1 0 246.358 2.167 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823882940 608465978 /nfs/dbraw/zinc/46/59/78/608465978.db2.gz GRZVNTFUZCEMQA-UWVGGRQHSA-N 1 0 243.314 2.092 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1COCC1(C)C ZINC000313025807 634441986 /nfs/dbraw/zinc/44/19/86/634441986.db2.gz NLGJAHZALZKBTO-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001027305025 634465995 /nfs/dbraw/zinc/46/59/95/634465995.db2.gz GDXWPCLVLSNQMO-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000909386151 634585207 /nfs/dbraw/zinc/58/52/07/634585207.db2.gz DSRVPWBZOQOAJW-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000893543048 634610010 /nfs/dbraw/zinc/61/00/10/634610010.db2.gz PLRCHMRWIGVRBI-WCQYABFASA-N 1 0 214.312 2.466 20 30 BEEDRO C#CC[N@H+](C)CCOc1c(C)cccc1C ZINC000039109874 635299869 /nfs/dbraw/zinc/29/98/69/635299869.db2.gz HDSRNTKCVSBSIL-UHFFFAOYSA-N 1 0 217.312 2.247 20 30 BEEDRO CC1(C)C[C@@H]1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000232922633 635520246 /nfs/dbraw/zinc/52/02/46/635520246.db2.gz YPDHITXGTZJVEN-ZIAGYGMSSA-N 1 0 244.338 2.227 20 30 BEEDRO COc1cccc(NC(=[NH2+])NCCC2CC2)c1 ZINC000178578039 635527387 /nfs/dbraw/zinc/52/73/87/635527387.db2.gz FVMDELWYTQGGPF-UHFFFAOYSA-N 1 0 233.315 2.222 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001022008250 631216057 /nfs/dbraw/zinc/21/60/57/631216057.db2.gz PUISWPMVGRXEHF-BETUJISGSA-N 1 0 248.326 2.015 20 30 BEEDRO CCC1(C[NH2+]Cc2cc(C#N)cs2)COC1 ZINC000393976361 631232922 /nfs/dbraw/zinc/23/29/22/631232922.db2.gz QTNXBXQXACREJA-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308382322 631245576 /nfs/dbraw/zinc/24/55/76/631245576.db2.gz XIJLNUDPVSVELT-WOPDTQHZSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC000971509938 631285870 /nfs/dbraw/zinc/28/58/70/631285870.db2.gz XLJSISAYLJFHKF-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933390302 631353362 /nfs/dbraw/zinc/35/33/62/631353362.db2.gz ZHBATTGENMHXPA-SMDDNHRTSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CO)Cc1ccc(OC)cc1 ZINC000933426338 631374915 /nfs/dbraw/zinc/37/49/15/631374915.db2.gz WFDPNFDODQZFBU-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC000933432619 631375964 /nfs/dbraw/zinc/37/59/64/631375964.db2.gz VKBLBJCNODIVIA-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933569032 631420519 /nfs/dbraw/zinc/42/05/19/631420519.db2.gz UMJHOOFGDYGFQL-LBPRGKRZSA-N 1 0 235.331 2.209 20 30 BEEDRO CCCC[C@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000308795821 631467307 /nfs/dbraw/zinc/46/73/07/631467307.db2.gz CGGUGRIETJMILH-NWDGAFQWSA-N 1 0 212.337 2.426 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc(C(C)C)s1 ZINC000308655603 631468563 /nfs/dbraw/zinc/46/85/63/631468563.db2.gz NXIAJJLXFQXCJQ-SECBINFHSA-N 1 0 208.330 2.378 20 30 BEEDRO C[N@H+](CCOC1CC1)Cc1cc(C#N)cs1 ZINC000933770051 631507684 /nfs/dbraw/zinc/50/76/84/631507684.db2.gz JIEAVNFMOOTALE-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CCO)C2CCCC2)C1 ZINC000934010186 631585999 /nfs/dbraw/zinc/58/59/99/631585999.db2.gz WLRDGCCTNNSAAY-XBFCOCLRSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000308777172 631642393 /nfs/dbraw/zinc/64/23/93/631642393.db2.gz AXPDDZVHEJNHRR-DTWKUNHWSA-N 1 0 223.238 2.262 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCCC[C@@H]1C ZINC000308780812 631646495 /nfs/dbraw/zinc/64/64/95/631646495.db2.gz COUYJCKMRSWPOF-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000308903028 631722840 /nfs/dbraw/zinc/72/28/40/631722840.db2.gz 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ZINC000309761720 632666700 /nfs/dbraw/zinc/66/67/00/632666700.db2.gz MSNSQQYBQPCJOG-KWCYVHTRSA-N 1 0 221.344 2.336 20 30 BEEDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309937048 632684489 /nfs/dbraw/zinc/68/44/89/632684489.db2.gz AHFXSAZKHCJUED-YPMHNXCESA-N 1 0 215.300 2.231 20 30 BEEDRO C#C[C@H]([NH2+]CC/C=C\CC)[C@H]1CCCO1 ZINC000309182500 632692787 /nfs/dbraw/zinc/69/27/87/632692787.db2.gz OAPQLFPTQIUTIN-AGFGORMFSA-N 1 0 207.317 2.113 20 30 BEEDRO N#Cc1c(F)cccc1NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000310151521 632700219 /nfs/dbraw/zinc/70/02/19/632700219.db2.gz NBTPJKDDUYNUAO-VHSXEESVSA-N 1 0 233.290 2.237 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1C#N ZINC000310311604 632715410 /nfs/dbraw/zinc/71/54/10/632715410.db2.gz UDLNPBKUMTYCJS-MFKMUULPSA-N 1 0 230.311 2.455 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC=CC1 ZINC001024365690 632732200 /nfs/dbraw/zinc/73/22/00/632732200.db2.gz FRMBYCDBPFGBCD-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310543235 632754050 /nfs/dbraw/zinc/75/40/50/632754050.db2.gz CXHQPLXDGQTJCS-GFCCVEGCSA-N 1 0 233.311 2.172 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)CCC)[C@H]1CCCO1 ZINC000309239012 632833319 /nfs/dbraw/zinc/83/33/19/632833319.db2.gz XZKYCFNBVYGYES-FRRDWIJNSA-N 1 0 209.333 2.193 20 30 BEEDRO CCNC(NCc1cccc(OCC)c1)=[NH+]CC ZINC000066243366 632859841 /nfs/dbraw/zinc/85/98/41/632859841.db2.gz ULUZCMFUWVYRHG-UHFFFAOYSA-N 1 0 249.358 2.160 20 30 BEEDRO CCCC[C@H](CC)CNC(=[NH2+])NC1CC1 ZINC000066242791 632859893 /nfs/dbraw/zinc/85/98/93/632859893.db2.gz RJYQEQAOZFQCFB-JTQLQIEISA-N 1 0 211.353 2.270 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000661380015 632879914 /nfs/dbraw/zinc/87/99/14/632879914.db2.gz KRTJRJLGFPCOOY-LLVKDONJSA-N 1 0 205.305 2.198 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCc2ccccc2C1 ZINC000310699958 632889774 /nfs/dbraw/zinc/88/97/74/632889774.db2.gz FMHSZIHDSRMGSH-ZDUSSCGKSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000310725991 632920544 /nfs/dbraw/zinc/92/05/44/632920544.db2.gz UGMRIASTUINYGC-GFCCVEGCSA-N 1 0 247.338 2.475 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000310725992 632921162 /nfs/dbraw/zinc/92/11/62/632921162.db2.gz UGMRIASTUINYGC-LBPRGKRZSA-N 1 0 247.338 2.475 20 30 BEEDRO C#CCCC[NH2+][C@H](COC)Cc1ccccc1 ZINC000178057603 632936136 /nfs/dbraw/zinc/93/61/36/632936136.db2.gz PIMJUHKRRHTNGE-HNNXBMFYSA-N 1 0 231.339 2.247 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000229677430 632983739 /nfs/dbraw/zinc/98/37/39/632983739.db2.gz SPKFTTFBCPCRAJ-CQSZACIVSA-N 1 0 217.312 2.113 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000229687959 632986046 /nfs/dbraw/zinc/98/60/46/632986046.db2.gz PPZFOURKGGVWGB-CQSZACIVSA-N 1 0 235.302 2.252 20 30 BEEDRO C#CCCCC[NH2+]Cc1c(Cl)c(C)nn1C ZINC000229688522 632987179 /nfs/dbraw/zinc/98/71/79/632987179.db2.gz ZNXRLVLHFBQTKY-UHFFFAOYSA-N 1 0 239.750 2.275 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCc2cccnc21 ZINC000229824697 632992189 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633196137 /nfs/dbraw/zinc/19/61/37/633196137.db2.gz KSGQBEVHFATHTI-IHRRRGAJSA-N 1 0 219.328 2.113 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000309571624 633203194 /nfs/dbraw/zinc/20/31/94/633203194.db2.gz NCJFVWHYPXRFSV-GXSJLCMTSA-N 1 0 219.263 2.003 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000309612770 633211227 /nfs/dbraw/zinc/21/12/27/633211227.db2.gz ARCKMGIXVRHHON-XQQFMLRXSA-N 1 0 229.364 2.085 20 30 BEEDRO C#CCC[C@@H](O)CNc1cc[nH+]c(C)c1Cl ZINC000309621005 633213662 /nfs/dbraw/zinc/21/36/62/633213662.db2.gz DIDOLGXOAYGPGE-SNVBAGLBSA-N 1 0 238.718 2.230 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1CCC(OC)CC1 ZINC000894768774 635924062 /nfs/dbraw/zinc/92/40/62/635924062.db2.gz FMOKFFGJQLWNPY-MOKVOYLWSA-N 1 0 241.375 2.108 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1CCC(C)(C)CC1 ZINC000328040923 633228006 /nfs/dbraw/zinc/22/80/06/633228006.db2.gz XMRPKIXHYDAXNB-UHFFFAOYSA-N 1 0 236.403 2.500 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccoc1 ZINC000309690733 633228256 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/nfs/dbraw/zinc/91/84/96/633918496.db2.gz XEFZCCFEYXZKRX-KBPBESRZSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925529238 633918553 /nfs/dbraw/zinc/91/85/53/633918553.db2.gz XEFZCCFEYXZKRX-KGLIPLIRSA-N 1 0 223.360 2.441 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]C[C@H](O)CC#N)c(C)s1 ZINC000309456619 633920372 /nfs/dbraw/zinc/92/03/72/633920372.db2.gz NVQFHVWMAWCGKA-GXSJLCMTSA-N 1 0 238.356 2.290 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)CC#N)c(C)s1 ZINC000309456620 633921208 /nfs/dbraw/zinc/92/12/08/633921208.db2.gz NVQFHVWMAWCGKA-MWLCHTKSSA-N 1 0 238.356 2.290 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1cccs1)[C@@H]1CCCO1 ZINC000309591060 633961155 /nfs/dbraw/zinc/96/11/55/633961155.db2.gz ZGNRMAJXEJPYHG-OLZOCXBDSA-N 1 0 235.352 2.061 20 30 BEEDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309937045 633964705 /nfs/dbraw/zinc/96/47/05/633964705.db2.gz AHFXSAZKHCJUED-AAEUAGOBSA-N 1 0 215.300 2.231 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@@H]1CCCO1 ZINC000309641659 633982668 /nfs/dbraw/zinc/98/26/68/633982668.db2.gz UUBAMPCLOZMGIE-IHRRRGAJSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000309731236 633997902 /nfs/dbraw/zinc/99/79/02/633997902.db2.gz BFKQQQHBILTQGI-LLVKDONJSA-N 1 0 210.280 2.346 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000895490508 636151445 /nfs/dbraw/zinc/15/14/45/636151445.db2.gz QJOQGOZXROIKBC-ZDEQEGDKSA-N 1 0 249.379 2.214 20 30 BEEDRO C=C(Cl)CN[C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925570070 634067611 /nfs/dbraw/zinc/06/76/11/634067611.db2.gz UUVQRQIRXYDIMS-VWYCJHECSA-N 1 0 228.767 2.105 20 30 BEEDRO C=CC[N@@H+](CCO[C@H]1CC1(F)F)C1CC1 ZINC000660169269 634096573 /nfs/dbraw/zinc/09/65/73/634096573.db2.gz GIDGPNDSOVNHFS-JTQLQIEISA-N 1 0 217.259 2.061 20 30 BEEDRO N#CC[C@@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC000930819508 634114563 /nfs/dbraw/zinc/11/45/63/634114563.db2.gz XYHHWAJKLVJYHT-LLVKDONJSA-N 1 0 248.301 2.069 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)COC(C)=O ZINC000893304519 634127935 /nfs/dbraw/zinc/12/79/35/634127935.db2.gz MSBZFVVEZIBOHY-MNOVXSKESA-N 1 0 213.321 2.272 20 30 BEEDRO C=C(C)COCCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925617224 634167125 /nfs/dbraw/zinc/16/71/25/634167125.db2.gz BVLPXNPYUBDJHM-DZGCQCFKSA-N 1 0 248.370 2.257 20 30 BEEDRO C[C@H](CCNC(=[NH2+])N(C)C)CC(C)(C)C ZINC000189388033 634179960 /nfs/dbraw/zinc/17/99/60/634179960.db2.gz GSGOJULINLXLKD-SNVBAGLBSA-N 1 0 213.369 2.325 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCOCC ZINC000931062990 634208718 /nfs/dbraw/zinc/20/87/18/634208718.db2.gz NOFYRDKJPPFOOA-OKILXGFUSA-N 1 0 239.359 2.223 20 30 BEEDRO [NH2+]=C(NCc1ccccc1F)NCC1CCC1 ZINC000104154030 634238743 /nfs/dbraw/zinc/23/87/43/634238743.db2.gz ALJLDHOWNVWODP-UHFFFAOYSA-N 1 0 235.306 2.030 20 30 BEEDRO C[C@H]1NCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670938 634253571 /nfs/dbraw/zinc/25/35/71/634253571.db2.gz AWSINOLQQRCJBB-VXGBXAGGSA-N 1 0 223.364 2.046 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925697935 634362917 /nfs/dbraw/zinc/36/29/17/634362917.db2.gz PUGPMPXBZWOXFE-FQUUOJAGSA-N 1 0 221.344 2.115 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC=CC1 ZINC001027802622 635156554 /nfs/dbraw/zinc/15/65/54/635156554.db2.gz RSDOTKKWYBQCBC-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1=CCCC1 ZINC001027819798 635160719 /nfs/dbraw/zinc/16/07/19/635160719.db2.gz SMDJASHARWWXQP-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CC1(CCCOC)CCC1 ZINC000893567904 635166724 /nfs/dbraw/zinc/16/67/24/635166724.db2.gz PZPJJPNHXZXCIA-ZDUSSCGKSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001010079965 635184525 /nfs/dbraw/zinc/18/45/25/635184525.db2.gz OCZKVHFTLHDNID-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC#N)CS1 ZINC000336689010 635221397 /nfs/dbraw/zinc/22/13/97/635221397.db2.gz OBMKDPDZVQTHKE-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCC[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC000980730630 635265822 /nfs/dbraw/zinc/26/58/22/635265822.db2.gz KIJPOGHZESKEIX-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@@H](NC(=O)CC)C1 ZINC000980829001 635287941 /nfs/dbraw/zinc/28/79/41/635287941.db2.gz GMRQTNSWGYXGLK-WDEREUQCSA-N 1 0 244.766 2.166 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccco2)C1 ZINC000980868465 635292968 /nfs/dbraw/zinc/29/29/68/635292968.db2.gz HJCIVHRAJRTBOG-NEPJUHHUSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC000981008740 635309564 /nfs/dbraw/zinc/30/95/64/635309564.db2.gz BMXUZQZEDKXNEL-ZIAGYGMSSA-N 1 0 248.370 2.300 20 30 BEEDRO CC(C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000260786507 635362344 /nfs/dbraw/zinc/36/23/44/635362344.db2.gz TZGSSCGWRJYYAT-ZDUSSCGKSA-N 1 0 200.285 2.023 20 30 BEEDRO C=C(Cl)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000076004902 635363873 /nfs/dbraw/zinc/36/38/73/635363873.db2.gz FDQGWFCQSHBASZ-GFCCVEGCSA-N 1 0 230.783 2.403 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2nccn2C1 ZINC000925814997 635380669 /nfs/dbraw/zinc/38/06/69/635380669.db2.gz RTDXZPATVDGBQJ-RYUDHWBXSA-N 1 0 246.358 2.116 20 30 BEEDRO Cc1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925843067 635507766 /nfs/dbraw/zinc/50/77/66/635507766.db2.gz YXNCHJOQXXFKAG-DOMZBBRYSA-N 1 0 243.354 2.097 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000411642764 635561057 /nfs/dbraw/zinc/56/10/57/635561057.db2.gz LMSIOFPNFRUJRN-CHWSQXEVSA-N 1 0 246.358 2.292 20 30 BEEDRO CCCNC(=[NH2+])NC/C=C/c1ccccc1 ZINC000304756764 635946440 /nfs/dbraw/zinc/94/64/40/635946440.db2.gz NZFNXKIZNTXELC-RMKNXTFCSA-N 1 0 217.316 2.014 20 30 BEEDRO C=C1CCC(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000895878257 636178702 /nfs/dbraw/zinc/17/87/02/636178702.db2.gz XUWCTQDGGOBXAG-CYBMUJFWSA-N 1 0 248.370 2.086 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506545 636199466 /nfs/dbraw/zinc/19/94/66/636199466.db2.gz UMHUTXCMYJNRHR-NEPJUHHUSA-N 1 0 205.305 2.162 20 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C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@@H]1C ZINC000985903958 636449653 /nfs/dbraw/zinc/44/96/53/636449653.db2.gz XOKCFJPLMYGIPK-OCCSQVGLSA-N 1 0 244.338 2.065 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)N[C@H]1CCCn2ncnc21 ZINC000925237606 636481236 /nfs/dbraw/zinc/48/12/36/636481236.db2.gz PYKGNSDKEXQCQX-QWRGUYRKSA-N 1 0 247.346 2.031 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(OC)cc1OC ZINC000168744951 636530083 /nfs/dbraw/zinc/53/00/83/636530083.db2.gz BOYUBPIOQHGMNN-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)[C@@H]1C ZINC000986134706 636532471 /nfs/dbraw/zinc/53/24/71/636532471.db2.gz LOCIVPZAVMQLOA-RLLAQXBXSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000321075813 636556741 /nfs/dbraw/zinc/55/67/41/636556741.db2.gz AWKKXGGEOUJDSX-NWDGAFQWSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000321085006 636562123 /nfs/dbraw/zinc/56/21/23/636562123.db2.gz CHATYOCRDAEDBG-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CC(C(C)C)C1 ZINC000862549077 636631525 /nfs/dbraw/zinc/63/15/25/636631525.db2.gz URCHDUXVFRQXSZ-ROKHWSDSSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000862550506 636632670 /nfs/dbraw/zinc/63/26/70/636632670.db2.gz MOGKJSRUFXKHHH-RDBSUJKOSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](COC)CC(C)(C)C ZINC000862550146 636632936 /nfs/dbraw/zinc/63/29/36/636632936.db2.gz IXLZVYSMWNTJTN-STQMWFEESA-N 1 0 241.375 2.066 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC)C1 ZINC000987839152 636670429 /nfs/dbraw/zinc/67/04/29/636670429.db2.gz HHMQKYIEPDOGPW-WDEREUQCSA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988434186 636708608 /nfs/dbraw/zinc/70/86/08/636708608.db2.gz DCMNGFLJRUNORW-GXTWGEPZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591589 636743771 /nfs/dbraw/zinc/74/37/71/636743771.db2.gz RICCUIWYFBASLR-QWRGUYRKSA-N 1 0 240.322 2.015 20 30 BEEDRO C[NH+]=C(NCCc1cccs1)NC(C)(C)C ZINC000264123245 636804194 /nfs/dbraw/zinc/80/41/94/636804194.db2.gz JDWBGARQFJGITD-UHFFFAOYSA-N 1 0 239.388 2.254 20 30 BEEDRO CCCCCCCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000925303760 636805859 /nfs/dbraw/zinc/80/58/59/636805859.db2.gz PUHDJIRXGQUGHT-LBPRGKRZSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897649912 636831167 /nfs/dbraw/zinc/83/11/67/636831167.db2.gz CRTWENYZAPAULP-VXGBXAGGSA-N 1 0 238.375 2.330 20 30 BEEDRO C=C(C)CON=C(N)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000842049073 636876829 /nfs/dbraw/zinc/87/68/29/636876829.db2.gz OQOXHMADFIKFMA-TXEJJXNPSA-N 1 0 239.363 2.324 20 30 BEEDRO C=C(Br)C[NH2+]C[C@](C)(CC)OC ZINC000322721348 636878145 /nfs/dbraw/zinc/87/81/45/636878145.db2.gz SJWOKWDJAOSRHO-VIFPVBQESA-N 1 0 236.153 2.300 20 30 BEEDRO C=C(Br)C[NH2+]C[C@@](C)(CC)OC ZINC000322721347 636878379 /nfs/dbraw/zinc/87/83/79/636878379.db2.gz SJWOKWDJAOSRHO-SECBINFHSA-N 1 0 236.153 2.300 20 30 BEEDRO O[C@@H]1CCCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000085985124 636881713 /nfs/dbraw/zinc/88/17/13/636881713.db2.gz DWCGVZRKNCSIFE-JKSUJKDBSA-N 1 0 243.350 2.179 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000989862699 636887243 /nfs/dbraw/zinc/88/72/43/636887243.db2.gz MOXAWOWQNCMVAV-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC)CCC[C@@H]12 ZINC000989870474 636888649 /nfs/dbraw/zinc/88/86/49/636888649.db2.gz LMNFYZIWTGSTPW-TZMCWYRMSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC)CCC[C@H]12 ZINC000989870472 636889633 /nfs/dbraw/zinc/88/96/33/636889633.db2.gz LMNFYZIWTGSTPW-JSGCOSHPSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC3)CCC[C@@H]12 ZINC000989887515 636891703 /nfs/dbraw/zinc/89/17/03/636891703.db2.gz HLYMYQZTBPLZNL-HIFRSBDPSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CC[N@@H+]1CC[C@@]2(NC(=O)C3CCC3)CCC[C@@H]12 ZINC000989891637 636891741 /nfs/dbraw/zinc/89/17/41/636891741.db2.gz AOAKWWDIILWXCY-HIFRSBDPSA-N 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C=C(CC[NH+](C)C)C(=O)N1CCCC12CCC2 ZINC000907773312 638466727 /nfs/dbraw/zinc/46/67/27/638466727.db2.gz GGHZDQKYBRWXTK-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000907852985 638487264 /nfs/dbraw/zinc/48/72/64/638487264.db2.gz QDVBPXIKWUQPMP-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCCCCCCN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000149475307 638501830 /nfs/dbraw/zinc/50/18/30/638501830.db2.gz KTGAMBNLMBWENV-KGLIPLIRSA-N 1 0 242.407 2.395 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)C1CCC1 ZINC000908997147 639118281 /nfs/dbraw/zinc/11/82/81/639118281.db2.gz JCLDEJXJCDMQFU-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000930239658 639645981 /nfs/dbraw/zinc/64/59/81/639645981.db2.gz QSFRHFNCYCBMHM-KGLIPLIRSA-N 1 0 230.311 2.002 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC000930252747 639663032 /nfs/dbraw/zinc/66/30/32/639663032.db2.gz DCPMXCCNMNOCBC-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C(=O)OC)[C@H](C)CC ZINC000930252707 639664234 /nfs/dbraw/zinc/66/42/34/639664234.db2.gz CEPXAUNJOLZPBX-MNOVXSKESA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)C[N@@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000930273193 639675749 /nfs/dbraw/zinc/67/57/49/639675749.db2.gz NPBVQIWAXFDSFV-OAHLLOKOSA-N 1 0 244.338 2.339 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000911683591 639722165 /nfs/dbraw/zinc/72/21/65/639722165.db2.gz HXZQOLCTBNNLRO-JHJVBQTASA-N 1 0 238.375 2.317 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911725183 639751935 /nfs/dbraw/zinc/75/19/35/639751935.db2.gz JDUFWFHNKXTXOR-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1(CO)CC1 ZINC000930464326 639764567 /nfs/dbraw/zinc/76/45/67/639764567.db2.gz ATNOARLBKGPEIU-UHFFFAOYSA-N 1 0 244.338 2.132 20 30 BEEDRO C=CC1(CC(=O)NC(C)(C)C[NH3+])CCCCC1 ZINC000911762056 639788420 /nfs/dbraw/zinc/78/84/20/639788420.db2.gz KRQKVWAAQQICEH-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000382594426 711475377 /nfs/dbraw/zinc/47/53/77/711475377.db2.gz JEFFNNYMFGZLOX-UHFFFAOYSA-N 1 0 224.348 2.074 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000930531063 639804738 /nfs/dbraw/zinc/80/47/38/639804738.db2.gz GOZJDIPDANSXME-OLZOCXBDSA-N 1 0 236.359 2.354 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000930563003 639811582 /nfs/dbraw/zinc/81/15/82/639811582.db2.gz AHMQUQNOGQDFCD-LSDHHAIUSA-N 1 0 244.338 2.141 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCC[C@H](O)CC2)CC1 ZINC000930587522 639814160 /nfs/dbraw/zinc/81/41/60/639814160.db2.gz AOXFDVARUXRGLW-RUXDESIVSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)[N@H+](CC1CCC(C#N)CC1)C1COC1 ZINC000930594104 639815540 /nfs/dbraw/zinc/81/55/40/639815540.db2.gz GWKHBKWHSIINJD-UHFFFAOYSA-N 1 0 236.359 2.426 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCc1cccnc1 ZINC000930600913 639816540 /nfs/dbraw/zinc/81/65/40/639816540.db2.gz PFPVKJMITNEIIL-AWEZNQCLSA-N 1 0 216.328 2.406 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000911824006 639838418 /nfs/dbraw/zinc/83/84/18/639838418.db2.gz LTZCENGNDIMSKU-UPJWGTAASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCCCC1 ZINC000911892566 639870594 /nfs/dbraw/zinc/87/05/94/639870594.db2.gz YQSHKWYOLCPMPT-GFCCVEGCSA-N 1 0 224.348 2.073 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC1CCCCC1 ZINC000911896414 639873991 /nfs/dbraw/zinc/87/39/91/639873991.db2.gz MSLIDMSZBBRASU-LBPRGKRZSA-N 1 0 224.348 2.119 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000911907242 639888109 /nfs/dbraw/zinc/88/81/09/639888109.db2.gz IZNOSIVAJWFWFM-CYBMUJFWSA-N 1 0 232.327 2.333 20 30 BEEDRO CN1CCC[C@@H]1C[N@H+](C)CC1CCC(C#N)CC1 ZINC000930753142 639897564 /nfs/dbraw/zinc/89/75/64/639897564.db2.gz DAXIOWMNALDDMJ-YMAMQOFZSA-N 1 0 249.402 2.342 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](Cc2ccccc2CF)C1 ZINC000930819353 639911863 /nfs/dbraw/zinc/91/18/63/639911863.db2.gz VEJBHEKCFMQNFI-CQSZACIVSA-N 1 0 248.301 2.007 20 30 BEEDRO 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/nfs/dbraw/zinc/86/01/01/643860101.db2.gz IVORWMHHJFEQFW-UHFFFAOYSA-N 1 0 244.342 2.392 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922166118 643885877 /nfs/dbraw/zinc/88/58/77/643885877.db2.gz AUOOXTRPGNCDLE-LLVKDONJSA-N 1 0 236.340 2.036 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000922167724 643888622 /nfs/dbraw/zinc/88/86/22/643888622.db2.gz XDBLVCQLDUUQAW-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=CCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922239717 643915019 /nfs/dbraw/zinc/91/50/19/643915019.db2.gz WEXCEVABIOLISE-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000922247888 643921087 /nfs/dbraw/zinc/92/10/87/643921087.db2.gz HTOBNIJDDORIDW-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000922299195 643960909 /nfs/dbraw/zinc/96/09/09/643960909.db2.gz NIOCVQZXZQZRLM-YNEHKIRRSA-N 1 0 241.400 2.289 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)[C@H](C)O1 ZINC000922304886 643961629 /nfs/dbraw/zinc/96/16/29/643961629.db2.gz MULFSQKEDRHSOM-PTRXPTGYSA-N 1 0 236.340 2.275 20 30 BEEDRO COC(OC)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000922312741 643967448 /nfs/dbraw/zinc/96/74/48/643967448.db2.gz AGIXEWZWGUTCHL-ZBOXLXRLSA-N 1 0 240.347 2.056 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC001004020914 643979984 /nfs/dbraw/zinc/97/99/84/643979984.db2.gz LDHPTBPDXXSZMJ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cnnn2CC)CC1 ZINC000922711394 644074780 /nfs/dbraw/zinc/07/47/80/644074780.db2.gz SQPCYOYOPVJBNW-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@H](O)CCC)cc1 ZINC000922821147 644110510 /nfs/dbraw/zinc/11/05/10/644110510.db2.gz KUGBLUMLVWQBBS-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO Cc1ccccc1[C@@H](C)[N@H+](C)C[C@H](O)CC#N ZINC000929326049 644136659 /nfs/dbraw/zinc/13/66/59/644136659.db2.gz OYGMNHQNVWCFBN-CHWSQXEVSA-N 1 0 232.327 2.262 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186706747 644139430 /nfs/dbraw/zinc/13/94/30/644139430.db2.gz WXLKQLZFQDMYMI-VXGBXAGGSA-N 1 0 235.327 2.288 20 30 BEEDRO C=CCC[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001005116669 644172605 /nfs/dbraw/zinc/17/26/05/644172605.db2.gz FKHOAJYRYCMVCX-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCCCCSC ZINC000187050763 644204457 /nfs/dbraw/zinc/20/44/57/644204457.db2.gz NMIYROFRONTSOF-UHFFFAOYSA-N 1 0 231.409 2.176 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1cc(C#N)ccc1F ZINC000079742448 644207604 /nfs/dbraw/zinc/20/76/04/644207604.db2.gz HUUAIGCYDOWQMM-GFCCVEGCSA-N 1 0 236.290 2.212 20 30 BEEDRO C#CCC1([NH2+]Cc2cncnc2)CCCCC1 ZINC000922984649 644212138 /nfs/dbraw/zinc/21/21/38/644212138.db2.gz UKIQYPGLXGHTGO-UHFFFAOYSA-N 1 0 229.327 2.292 20 30 BEEDRO C#CCC1([NH2+]Cc2cncn2C)CCCCC1 ZINC000922980825 644213914 /nfs/dbraw/zinc/21/39/14/644213914.db2.gz DVMLGROJIGGECB-UHFFFAOYSA-N 1 0 231.343 2.236 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc3c2OCO3)CCC1 ZINC000923000996 644218714 /nfs/dbraw/zinc/21/87/14/644218714.db2.gz PNRJPHZOQNYDIV-UHFFFAOYSA-N 1 0 243.306 2.451 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(OC)n2)CCC1 ZINC000922996935 644221775 /nfs/dbraw/zinc/22/17/75/644221775.db2.gz BLCNWHGQPWFSAL-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(OC)ns2)CCC1 ZINC000922997875 644222191 /nfs/dbraw/zinc/22/21/91/644222191.db2.gz CRVIHQVVAYIDKY-UHFFFAOYSA-N 1 0 236.340 2.187 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000922998801 644223141 /nfs/dbraw/zinc/22/31/41/644223141.db2.gz YPIPEVVSTFRMGG-UHFFFAOYSA-N 1 0 214.268 2.187 20 30 BEEDRO C#CCC1([NH2+]Cc2ccns2)CCC1 ZINC000922998924 644223791 /nfs/dbraw/zinc/22/37/91/644223791.db2.gz NGGNIWLCVNQTSA-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO C#CCC1([NH2+]Cc2ocnc2C)CCC1 ZINC000922999582 644224838 /nfs/dbraw/zinc/22/48/38/644224838.db2.gz TZPAAMNAAJHDCU-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193262232 644227691 /nfs/dbraw/zinc/22/76/91/644227691.db2.gz XIRNBFXGKSYBGI-QWHCGFSZSA-N 1 0 247.317 2.009 20 30 BEEDRO Oc1ccccc1/C=N/C[C@@H]1CCCOC1 ZINC000193679772 644271608 /nfs/dbraw/zinc/27/16/08/644271608.db2.gz HUYHVHYXPSAUPB-LUHPIMIVSA-N 1 0 219.284 2.238 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCC(C)(C)C ZINC000081640464 644337604 /nfs/dbraw/zinc/33/76/04/644337604.db2.gz CJDJWMFULDJPNS-UHFFFAOYSA-N 1 0 211.353 2.293 20 30 BEEDRO CNC(NCC1(CC(C)C)CCCC1)=[NH+]C ZINC000086999652 644444260 /nfs/dbraw/zinc/44/42/60/644444260.db2.gz ISFBMROQHWYZPD-UHFFFAOYSA-N 1 0 225.380 2.388 20 30 BEEDRO C=CCCCN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923540369 644493187 /nfs/dbraw/zinc/49/31/87/644493187.db2.gz USZWXCPFJIYGJD-CYBMUJFWSA-N 1 0 208.349 2.171 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000839043301 644554859 /nfs/dbraw/zinc/55/48/59/644554859.db2.gz QCJNTTMLYHAAKC-CHWSQXEVSA-N 1 0 239.359 2.452 20 30 BEEDRO CCCCCCC[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000740878523 644564278 /nfs/dbraw/zinc/56/42/78/644564278.db2.gz KLOBGVSKKMHHQL-GFCCVEGCSA-N 1 0 226.364 2.119 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001017285971 644620352 /nfs/dbraw/zinc/62/03/52/644620352.db2.gz BPBOXTZMDYZBRM-OKILXGFUSA-N 1 0 248.370 2.038 20 30 BEEDRO CC(C[C@H](C)CC(C)C)=NNC1=[NH+][C@H](C)CN1 ZINC000779797887 644714502 /nfs/dbraw/zinc/71/45/02/644714502.db2.gz LJBXLHLFIXWNJM-ZYHUDNBSSA-N 1 0 238.379 2.372 20 30 BEEDRO CCC(C[C@@H](C)CC)=NNC1=[NH+][C@H](C)CN1 ZINC000779798447 644716087 /nfs/dbraw/zinc/71/60/87/644716087.db2.gz CYMHVABOQFHTKN-VHSXEESVSA-N 1 0 224.352 2.126 20 30 BEEDRO C#CCN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000782992563 644750602 /nfs/dbraw/zinc/75/06/02/644750602.db2.gz AMMQLUVOETYRJW-MRXNPFEDSA-N 1 0 242.366 2.436 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1C ZINC000303262472 644812861 /nfs/dbraw/zinc/81/28/61/644812861.db2.gz PXSZYMRHPWAPAI-LLVKDONJSA-N 1 0 219.332 2.198 20 30 BEEDRO CNC(NCCc1ccc(C(C)(C)C)cc1)=[NH+]C ZINC000303266338 644812942 /nfs/dbraw/zinc/81/29/42/644812942.db2.gz VUIYJRNSWNCWIS-UHFFFAOYSA-N 1 0 247.386 2.321 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCOC1CCCC1 ZINC000303261723 644813168 /nfs/dbraw/zinc/81/31/68/644813168.db2.gz OWBYSXQFQDQXDM-LLVKDONJSA-N 1 0 241.379 2.039 20 30 BEEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000796945732 644815582 /nfs/dbraw/zinc/81/55/82/644815582.db2.gz ATZOASUCGKGNKC-KBPBESRZSA-N 1 0 229.327 2.477 20 30 BEEDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000796945735 644815828 /nfs/dbraw/zinc/81/58/28/644815828.db2.gz ATZOASUCGKGNKC-ZIAGYGMSSA-N 1 0 229.327 2.477 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NCc2cccnc2)c1 ZINC000303707445 644839079 /nfs/dbraw/zinc/83/90/79/644839079.db2.gz MJRWDMDVXICVCT-UHFFFAOYSA-N 1 0 240.310 2.317 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000801930027 644846968 /nfs/dbraw/zinc/84/69/68/644846968.db2.gz BZUXLPQXZQKCAX-YPMHNXCESA-N 1 0 233.315 2.080 20 30 BEEDRO CC(C)CCCNC(=[NH2+])NCCC(C)C ZINC000303891260 644854561 /nfs/dbraw/zinc/85/45/61/644854561.db2.gz MXYBKRREAQODST-UHFFFAOYSA-N 1 0 213.369 2.373 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccsc2)C1 ZINC000303897665 644856662 /nfs/dbraw/zinc/85/66/62/644856662.db2.gz QTLWDGFHZIDOFI-SNVBAGLBSA-N 1 0 237.372 2.295 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000304212815 644877325 /nfs/dbraw/zinc/87/73/25/644877325.db2.gz FNNYAVUIZPCLNM-VOAKCMCISA-N 1 0 224.348 2.281 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000304226878 644879069 /nfs/dbraw/zinc/87/90/69/644879069.db2.gz JITFSLQYGGCFDG-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000304277839 644883906 /nfs/dbraw/zinc/88/39/06/644883906.db2.gz WSMYMQFRKRQWLR-NEPJUHHUSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@@H](C)C#N ZINC000304268863 644884067 /nfs/dbraw/zinc/88/40/67/644884067.db2.gz VHVPZRFXFAUHTO-XQQFMLRXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000304277842 644884494 /nfs/dbraw/zinc/88/44/94/644884494.db2.gz WSMYMQFRKRQWLR-VXGBXAGGSA-N 1 0 224.348 2.283 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccccc1C ZINC000304287789 644887942 /nfs/dbraw/zinc/88/79/42/644887942.db2.gz DBKZQXYHGUYEHK-UONOGXRCSA-N 1 0 243.354 2.178 20 30 BEEDRO C#Cc1ccc(CN2CC[NH+](C(C)C)CC2)cc1 ZINC000809545217 644888897 /nfs/dbraw/zinc/88/88/97/644888897.db2.gz YVLZARJCPWHBGG-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN(C)C(C)C)cc1 ZINC000809611885 644893532 /nfs/dbraw/zinc/89/35/32/644893532.db2.gz AUKOEASDQIPHNG-UHFFFAOYSA-N 1 0 230.355 2.098 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000809683626 644895699 /nfs/dbraw/zinc/89/56/99/644895699.db2.gz GNCOKKMOLBEGEL-GHMZBOCLSA-N 1 0 245.322 2.130 20 30 BEEDRO CSC(C)(C)CNC(=[NH2+])N1CCC(C)CC1 ZINC000304370255 644898450 /nfs/dbraw/zinc/89/84/50/644898450.db2.gz IBQZTPNSNNNTPX-UHFFFAOYSA-N 1 0 243.420 2.175 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304502182 644911980 /nfs/dbraw/zinc/91/19/80/644911980.db2.gz QWRJWSWICZPHFP-ZIAGYGMSSA-N 1 0 245.370 2.495 20 30 BEEDRO CCC(CC)CNC(=[NH2+])NCC1CCC1 ZINC000304736944 644927765 /nfs/dbraw/zinc/92/77/65/644927765.db2.gz AHKIFWXQIDJKHY-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCC(F)(F)F ZINC000304752011 644929435 /nfs/dbraw/zinc/92/94/35/644929435.db2.gz JVBFXKNPIFDVHR-UHFFFAOYSA-N 1 0 239.285 2.423 20 30 BEEDRO Cc1ccc(O[C@H](C)CNC(=[NH2+])NC(C)C)cc1 ZINC000304761035 644930878 /nfs/dbraw/zinc/93/08/78/644930878.db2.gz TYBHAALEOPQDSC-GFCCVEGCSA-N 1 0 249.358 2.075 20 30 BEEDRO CCC(CC)CNC(=[NH2+])N1CCC(C)CC1 ZINC000304756572 644931666 /nfs/dbraw/zinc/93/16/66/644931666.db2.gz NUVZXGPFMWTQCD-UHFFFAOYSA-N 1 0 225.380 2.469 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1(C(C)C)CC1 ZINC000304857286 644936917 /nfs/dbraw/zinc/93/69/17/644936917.db2.gz ZFFRGVHXJLOUNX-UHFFFAOYSA-N 1 0 211.353 2.079 20 30 BEEDRO CC(=[NH+]N[C@H](C)C(C)(C)C)c1ccc(N)nc1 ZINC000814937483 644946086 /nfs/dbraw/zinc/94/60/86/644946086.db2.gz HXNVJDUULPZJON-SNVBAGLBSA-N 1 0 234.347 2.412 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000815078631 644951116 /nfs/dbraw/zinc/95/11/16/644951116.db2.gz DOPDDINVEJCHHI-VIFPVBQESA-N 1 0 223.238 2.073 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000817282670 644970502 /nfs/dbraw/zinc/97/05/02/644970502.db2.gz ISHSEVOKMFSVFC-GFCCVEGCSA-N 1 0 226.364 2.025 20 30 BEEDRO COc1cc(C)[nH+]c(NNC=CC(F)(F)F)n1 ZINC000817325972 644971568 /nfs/dbraw/zinc/97/15/68/644971568.db2.gz QBIACAPXBUABMU-UHFFFAOYSA-N 1 0 248.208 2.144 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819115664 645004595 /nfs/dbraw/zinc/00/45/95/645004595.db2.gz GRJNHYVKRPNFKU-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)o2)C1 ZINC000829784298 645111077 /nfs/dbraw/zinc/11/10/77/645111077.db2.gz IJTJGOTXHSZUCY-RYUDHWBXSA-N 1 0 247.342 2.428 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000829778775 645111516 /nfs/dbraw/zinc/11/15/16/645111516.db2.gz GXYRVEISBPZUFH-ZDUSSCGKSA-N 1 0 204.317 2.416 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000830311839 645118228 /nfs/dbraw/zinc/11/82/28/645118228.db2.gz XETHKPIYJKCAJD-UHFFFAOYSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000830345410 645120590 /nfs/dbraw/zinc/12/05/90/645120590.db2.gz BXPCMNNXDDGLJN-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC1CC[NH+](C[C@H](CC(C)C)OC)CC1 ZINC000830352028 645121995 /nfs/dbraw/zinc/12/19/95/645121995.db2.gz YXEUJRQTVQBIKY-AWEZNQCLSA-N 1 0 223.360 2.393 20 30 BEEDRO CCCCCCCCNC(=O)NC[C@H]([NH3+])CC ZINC000841864525 645234456 /nfs/dbraw/zinc/23/44/56/645234456.db2.gz NSKCQCKGCFGPKE-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCCNC(=O)NCC(C)(C)[NH3+] ZINC000841864710 645235094 /nfs/dbraw/zinc/23/50/94/645235094.db2.gz QAIFPUVPUOEPOX-UHFFFAOYSA-N 1 0 243.395 2.383 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000926521764 645252430 /nfs/dbraw/zinc/25/24/30/645252430.db2.gz OSMZAAKIROUBBW-GHMZBOCLSA-N 1 0 211.349 2.459 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(SC)C1 ZINC000926530990 645258579 /nfs/dbraw/zinc/25/85/79/645258579.db2.gz DSLZEZBIZSBSIV-HCWSGVFWSA-N 1 0 227.373 2.204 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc[nH]c(=O)c1 ZINC000926567466 645286518 /nfs/dbraw/zinc/28/65/18/645286518.db2.gz GOOSSODEKTVQDG-SNVBAGLBSA-N 1 0 233.315 2.378 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ncc[nH]1 ZINC000926569788 645290108 /nfs/dbraw/zinc/29/01/08/645290108.db2.gz UCEVUVZYRJXLCK-SECBINFHSA-N 1 0 206.293 2.000 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000843426680 645292021 /nfs/dbraw/zinc/29/20/21/645292021.db2.gz GHWGVGXCTOZAIE-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000926611823 645314620 /nfs/dbraw/zinc/31/46/20/645314620.db2.gz RNATVBSHXKAGGC-AGIUHOORSA-N 1 0 236.359 2.495 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CO)[C@H](C)CCC ZINC000844380682 645324344 /nfs/dbraw/zinc/32/43/44/645324344.db2.gz WDFKOUADJCMQES-SCZZXKLOSA-N 1 0 205.729 2.126 20 30 BEEDRO C#CCC[N@@H+](Cc1cnn(CC)c1)C(C)C ZINC000844417001 645326698 /nfs/dbraw/zinc/32/66/98/645326698.db2.gz HYJDQDCMUSBODQ-UHFFFAOYSA-N 1 0 219.332 2.137 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)c1cnnn1C ZINC000926665607 645344527 /nfs/dbraw/zinc/34/45/27/645344527.db2.gz IQPGREMANSWWBK-NSHDSACASA-N 1 0 222.336 2.212 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)c1cnnn1C ZINC000926665606 645345887 /nfs/dbraw/zinc/34/58/87/645345887.db2.gz IQPGREMANSWWBK-LLVKDONJSA-N 1 0 222.336 2.212 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926682782 645354363 /nfs/dbraw/zinc/35/43/63/645354363.db2.gz FWMJTRYEYMBOMB-JTQLQIEISA-N 1 0 208.309 2.086 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926712390 645374200 /nfs/dbraw/zinc/37/42/00/645374200.db2.gz MMAWKWJHVNFGRT-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](CO)CC1CC1 ZINC000926714449 645377457 /nfs/dbraw/zinc/37/74/57/645377457.db2.gz NGMOFYMWQVDVKS-YPMHNXCESA-N 1 0 238.375 2.313 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926745221 645396380 /nfs/dbraw/zinc/39/63/80/645396380.db2.gz FXOGTGLUCCLOKD-WDEREUQCSA-N 1 0 234.347 2.476 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926749563 645399185 /nfs/dbraw/zinc/39/91/85/645399185.db2.gz ZWBSKZDYAWUCKH-JTQLQIEISA-N 1 0 222.336 2.068 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnnn1C ZINC000926748137 645399210 /nfs/dbraw/zinc/39/92/10/645399210.db2.gz SZBIBDSJNBDKGO-SNVBAGLBSA-N 1 0 222.336 2.068 20 30 BEEDRO C=CCC[N@@H+](CC)CC(OCC)OCC ZINC000846969331 645409133 /nfs/dbraw/zinc/40/91/33/645409133.db2.gz FYIFSPURTUVBGB-UHFFFAOYSA-N 1 0 215.337 2.284 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000847017592 645414961 /nfs/dbraw/zinc/41/49/61/645414961.db2.gz CVRKBUNMRPBXCV-GFCCVEGCSA-N 1 0 204.317 2.271 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000847017993 645415415 /nfs/dbraw/zinc/41/54/15/645415415.db2.gz GRKGVYPDYXHQGF-LLVKDONJSA-N 1 0 220.341 2.031 20 30 BEEDRO C#CCCC[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000847016731 645416725 /nfs/dbraw/zinc/41/67/25/645416725.db2.gz DLVFVBHIVRUYOT-UKRRQHHQSA-N 1 0 249.354 2.065 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000847028420 645420655 /nfs/dbraw/zinc/42/06/55/645420655.db2.gz YBWCUPUVKDQEIC-HNNXBMFYSA-N 1 0 242.366 2.468 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1ccnn1C ZINC000926812463 645441298 /nfs/dbraw/zinc/44/12/98/645441298.db2.gz LTZMEKQCQZKSIY-GHMZBOCLSA-N 1 0 234.347 2.399 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000848924611 645444536 /nfs/dbraw/zinc/44/45/36/645444536.db2.gz WVVDPRWIUHFYPV-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccncc2C)C1 ZINC000848924608 645444709 /nfs/dbraw/zinc/44/47/09/645444709.db2.gz WULGWHPKXDCYGX-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H](O)c1ccccc1C ZINC000849330357 645448936 /nfs/dbraw/zinc/44/89/36/645448936.db2.gz PMGGRBYMWFLAMM-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)[C@H]2C)CC1 ZINC000926840915 645450720 /nfs/dbraw/zinc/45/07/20/645450720.db2.gz VLUNHKUVXBPOHM-XVIXHAIJSA-N 1 0 221.344 2.191 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)C1(Cl)CC1 ZINC000926862155 645461518 /nfs/dbraw/zinc/46/15/18/645461518.db2.gz FNIXKZKCYNNAAP-ZJUUUORDSA-N 1 0 217.740 2.063 20 30 BEEDRO CO[C@H]1CC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000852216015 645476535 /nfs/dbraw/zinc/47/65/35/645476535.db2.gz XXLJDFLJNAEEKP-KBPBESRZSA-N 1 0 242.322 2.441 20 30 BEEDRO C=C(Cl)CN1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000852749328 645487377 /nfs/dbraw/zinc/48/73/77/645487377.db2.gz KOKHFCOKECRXMR-RYUDHWBXSA-N 1 0 228.767 2.203 20 30 BEEDRO C=C1CCC(C[NH2+][C@H](C)Cn2cncn2)CC1 ZINC000926925022 645489844 /nfs/dbraw/zinc/48/98/44/645489844.db2.gz FIMOKYHWGKNPTE-GFCCVEGCSA-N 1 0 234.347 2.003 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC000930244880 645519041 /nfs/dbraw/zinc/51/90/41/645519041.db2.gz PMZZTPOFUWBCOM-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000927025719 645525893 /nfs/dbraw/zinc/52/58/93/645525893.db2.gz YNHZNUIZZJKEIP-DGCLKSJQSA-N 1 0 247.342 2.155 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCOC1CCOCC1 ZINC000927080070 645539576 /nfs/dbraw/zinc/53/95/76/645539576.db2.gz ZHOYCMZVGNGQIU-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCO[C@H]1CCOC1 ZINC000927084487 645542849 /nfs/dbraw/zinc/54/28/49/645542849.db2.gz MWGHUENEUKCYEO-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@H]([NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000927086146 645544140 /nfs/dbraw/zinc/54/41/40/645544140.db2.gz VCILDZMRAINTOJ-KBPBESRZSA-N 1 0 239.359 2.126 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927162854 645579376 /nfs/dbraw/zinc/57/93/76/645579376.db2.gz BDFRQCHSVAUERU-WCQYABFASA-N 1 0 244.342 2.143 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168060 645579728 /nfs/dbraw/zinc/57/97/28/645579728.db2.gz IRORBGHAHYBDQV-VXGBXAGGSA-N 1 0 246.358 2.389 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927166664 645580203 /nfs/dbraw/zinc/58/02/03/645580203.db2.gz XUPOICGWMLBIRI-GFCCVEGCSA-N 1 0 246.358 2.389 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168057 645581176 /nfs/dbraw/zinc/58/11/76/645581176.db2.gz IRORBGHAHYBDQV-NEPJUHHUSA-N 1 0 246.358 2.389 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859335516 645681334 /nfs/dbraw/zinc/68/13/34/645681334.db2.gz AISFQNQNKTVLGO-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000862447530 645697117 /nfs/dbraw/zinc/69/71/17/645697117.db2.gz NQJRCHAZBSVKSC-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000862447507 645697693 /nfs/dbraw/zinc/69/76/93/645697693.db2.gz NGUHRMXGVVDNAU-RYUDHWBXSA-N 1 0 209.358 2.085 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000862447396 645698189 /nfs/dbraw/zinc/69/81/89/645698189.db2.gz MJUMHLLSOIICNK-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CCSCC[NH2+]C[C@H](OC)[C@H](C)CC ZINC000877048994 645789144 /nfs/dbraw/zinc/78/91/44/645789144.db2.gz RCELKWPZDUFUAX-NEPJUHHUSA-N 1 0 229.389 2.004 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OC)[C@H](C)CC)C1CC1 ZINC000877372240 645792821 /nfs/dbraw/zinc/79/28/21/645792821.db2.gz YYOBKSYNGNCXHE-DGCLKSJQSA-N 1 0 209.333 2.145 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877459000 645797374 /nfs/dbraw/zinc/79/73/74/645797374.db2.gz DSNNERJURZUAHJ-QWRGUYRKSA-N 1 0 215.300 2.231 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000877512800 645799265 /nfs/dbraw/zinc/79/92/65/645799265.db2.gz BWIXQAAQGHXSRK-QWHCGFSZSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC1CN(C)C1 ZINC000877627188 645803123 /nfs/dbraw/zinc/80/31/23/645803123.db2.gz LMWQOGVGUDWLBW-UHFFFAOYSA-N 1 0 222.376 2.064 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC000877650851 645806274 /nfs/dbraw/zinc/80/62/74/645806274.db2.gz OMJHBBVLLVFJPT-KGLIPLIRSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000877650232 645806326 /nfs/dbraw/zinc/80/63/26/645806326.db2.gz PTVSJQPZSOVOJG-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000878761735 645823021 /nfs/dbraw/zinc/82/30/21/645823021.db2.gz RBUVIKZYGVEIIQ-MJBXVCDLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC[C@H](O)C(C)C)C1 ZINC000878762230 645823251 /nfs/dbraw/zinc/82/32/51/645823251.db2.gz YWXYLSDXQQCXIE-KGLIPLIRSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H](OC)C2)C1 ZINC000878761967 645823662 /nfs/dbraw/zinc/82/36/62/645823662.db2.gz UOSKHBZEHHISQQ-MCIONIFRSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000878761730 645823996 /nfs/dbraw/zinc/82/39/96/645823996.db2.gz RBUVIKZYGVEIIQ-BFHYXJOUSA-N 1 0 221.344 2.147 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCC#N)CC2 ZINC000133225540 645862659 /nfs/dbraw/zinc/86/26/59/645862659.db2.gz GAHPVGUTXIRALN-ZDUSSCGKSA-N 1 0 230.311 2.056 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000886355575 645885153 /nfs/dbraw/zinc/88/51/53/645885153.db2.gz KIFFCMUHTOXJBP-IUODEOHRSA-N 1 0 247.313 2.204 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000929215822 646013566 /nfs/dbraw/zinc/01/35/66/646013566.db2.gz SURIRKWCNPNRRV-AWEZNQCLSA-N 1 0 244.338 2.132 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cncc(C(=O)OC)c1 ZINC000929216342 646014636 /nfs/dbraw/zinc/01/46/36/646014636.db2.gz AXUDUAUCFMOOKJ-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C=C(C)C[N@@H+](CC)C[C@@H]1C[C@H]1C(=O)OCC ZINC000929218166 646017332 /nfs/dbraw/zinc/01/73/32/646017332.db2.gz MYJTUVIZCKMVQL-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCn1ccnc1 ZINC000924534592 646053095 /nfs/dbraw/zinc/05/30/95/646053095.db2.gz RAIVYIMWKURDLT-LBPRGKRZSA-N 1 0 234.347 2.191 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccco2)C[C@H]1C ZINC000946991295 646119604 /nfs/dbraw/zinc/11/96/04/646119604.db2.gz ONEPMNCMNMDFEO-VXGBXAGGSA-N 1 0 248.326 2.048 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000924943390 646137484 /nfs/dbraw/zinc/13/74/84/646137484.db2.gz USINAUMZTLCPDQ-KBPBESRZSA-N 1 0 235.375 2.287 20 30 BEEDRO CN(C)[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929487281 646141767 /nfs/dbraw/zinc/14/17/67/646141767.db2.gz KVJQNCHNFWBLLV-YMAMQOFZSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCCO1 ZINC000929489793 646144496 /nfs/dbraw/zinc/14/44/96/646144496.db2.gz VQGCRJKZMSTIEC-IYXRBSQSSA-N 1 0 236.359 2.427 20 30 BEEDRO C#Cc1ccc(NC(=O)CC[NH2+]C(C)(C)C)cc1 ZINC000929494443 646148446 /nfs/dbraw/zinc/14/84/46/646148446.db2.gz NADBMDDSYRWUFU-UHFFFAOYSA-N 1 0 244.338 2.385 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@H]1CO ZINC000929521358 646171359 /nfs/dbraw/zinc/17/13/59/646171359.db2.gz LDYRQTCOPQJLEB-AWEZNQCLSA-N 1 0 244.338 2.132 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccncc1 ZINC000925076856 646178268 /nfs/dbraw/zinc/17/82/68/646178268.db2.gz ZVBXYQMIAWIYBH-FPMFFAJLSA-N 1 0 232.327 2.323 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccncc1 ZINC000925076858 646178630 /nfs/dbraw/zinc/17/86/30/646178630.db2.gz ZVBXYQMIAWIYBH-UBHSHLNASA-N 1 0 232.327 2.323 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)CC(C)(C)C#N)[nH]n1 ZINC000925102374 646184433 /nfs/dbraw/zinc/18/44/33/646184433.db2.gz KAVWJHHGGMRHQE-SNVBAGLBSA-N 1 0 220.320 2.136 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000925159052 646197049 /nfs/dbraw/zinc/19/70/49/646197049.db2.gz FHHCATYORGWTFH-LLVKDONJSA-N 1 0 231.295 2.479 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925161646 646198145 /nfs/dbraw/zinc/19/81/45/646198145.db2.gz QCXDJZKLBJIVBP-CHWSQXEVSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)c2ncccn2)CC1 ZINC000929617276 646201036 /nfs/dbraw/zinc/20/10/36/646201036.db2.gz HKWXSHXYDBWYNL-LLVKDONJSA-N 1 0 217.316 2.436 20 30 BEEDRO C=CC1CC[NH+](C/C=C(\C)COC)CC1 ZINC000929617890 646201456 /nfs/dbraw/zinc/20/14/56/646201456.db2.gz DOFIIEQASMLBOM-LFYBBSHMSA-N 1 0 209.333 2.477 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925266584 646225544 /nfs/dbraw/zinc/22/55/44/646225544.db2.gz GCNJKHDHBSDUGL-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929693287 646248936 /nfs/dbraw/zinc/24/89/36/646248936.db2.gz PHMZGACHPDFZGY-XQQFMLRXSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929706698 646260811 /nfs/dbraw/zinc/26/08/11/646260811.db2.gz RQOXXOLLTZJIOR-VIFPVBQESA-N 1 0 238.718 2.024 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925436936 646282506 /nfs/dbraw/zinc/28/25/06/646282506.db2.gz IMKPNRZSODZBOL-RYUDHWBXSA-N 1 0 228.767 2.345 20 30 BEEDRO Cc1n[nH]cc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925461042 646287814 /nfs/dbraw/zinc/28/78/14/646287814.db2.gz OKBBJXCOJJTUMH-VIFPVBQESA-N 1 0 220.320 2.136 20 30 BEEDRO C#CC[N@@H+](CC)[C@@H](C)c1ccc(F)nc1 ZINC000929786118 646314321 /nfs/dbraw/zinc/31/43/21/646314321.db2.gz DUOQYVWRDRZJOB-JTQLQIEISA-N 1 0 206.264 2.237 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1nn(CC)nc1C ZINC000925525662 646316762 /nfs/dbraw/zinc/31/67/62/646316762.db2.gz DAXVMNJUCUWJPO-LLVKDONJSA-N 1 0 234.347 2.061 20 30 BEEDRO COc1cccc(CN(C)CCC#N)c1C ZINC000929809724 646329361 /nfs/dbraw/zinc/32/93/61/646329361.db2.gz SSOVGXAUYGPTMT-UHFFFAOYSA-N 1 0 218.300 2.349 20 30 BEEDRO C[C@@H]1OCC[N@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000929848663 646359380 /nfs/dbraw/zinc/35/93/80/646359380.db2.gz SYPGJXGUJFVMCY-FEPKRQSRSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCCOCCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925625177 646372655 /nfs/dbraw/zinc/37/26/55/646372655.db2.gz GKCXMMCYLRBGPI-UKRRQHHQSA-N 1 0 248.370 2.257 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1ccns1 ZINC000925630378 646375771 /nfs/dbraw/zinc/37/57/71/646375771.db2.gz AIFFHHIZQHAWNZ-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1ccns1 ZINC000925630377 646376922 /nfs/dbraw/zinc/37/69/22/646376922.db2.gz AIFFHHIZQHAWNZ-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO N#CC[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000929955954 646380059 /nfs/dbraw/zinc/38/00/59/646380059.db2.gz PJDQDKZZJJPRQR-CYBMUJFWSA-N 1 0 248.301 2.069 20 30 BEEDRO C[C@H]1NCCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652858 646390576 /nfs/dbraw/zinc/39/05/76/646390576.db2.gz BGIURTOPCFKAEN-RYSNWHEDSA-N 1 0 235.375 2.046 20 30 BEEDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930006727 646392724 /nfs/dbraw/zinc/39/27/24/646392724.db2.gz WUSDHFWCZZQSQS-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCc3c[nH]nc3C2)CC1 ZINC000930068164 646418071 /nfs/dbraw/zinc/41/80/71/646418071.db2.gz GMXCSLKVDNGJFQ-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000925694861 646419448 /nfs/dbraw/zinc/41/94/48/646419448.db2.gz GMDXTZBNSMOGQU-CABZTGNLSA-N 1 0 238.331 2.127 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CC2(C1)CCCC2 ZINC000925695606 646422116 /nfs/dbraw/zinc/42/21/16/646422116.db2.gz IRJQWQFHDDQFLL-LBPRGKRZSA-N 1 0 223.360 2.483 20 30 BEEDRO C[C@@H]1COCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000930084802 646425364 /nfs/dbraw/zinc/42/53/64/646425364.db2.gz CXSHMFZFWTUOBH-HSBZDZAISA-N 1 0 236.359 2.285 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnnn1C ZINC000925707462 646432764 /nfs/dbraw/zinc/43/27/64/646432764.db2.gz PWJWBHQXONPJGV-WDEREUQCSA-N 1 0 222.336 2.211 20 30 BEEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930126339 646449181 /nfs/dbraw/zinc/44/91/81/646449181.db2.gz RRNXDROKUOPQAQ-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)[C@@H](C)CN1C ZINC000930161058 646466837 /nfs/dbraw/zinc/46/68/37/646466837.db2.gz FBPGHYUIKGDKSS-DNDYEEKYSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](CC2CCC(C#N)CC2)CCN1C ZINC000930178192 646480318 /nfs/dbraw/zinc/48/03/18/646480318.db2.gz UYHXPCYZRPFZIM-DNDYEEKYSA-N 1 0 249.402 2.341 20 30 BEEDRO CC1(C)c2ccccc2CC[N@H+]1C[C@H](O)CC#N ZINC000930182948 646482715 /nfs/dbraw/zinc/48/27/15/646482715.db2.gz RZCOPDVKYUKVIQ-CYBMUJFWSA-N 1 0 244.338 2.054 20 30 BEEDRO N#CCCc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000925822603 646495000 /nfs/dbraw/zinc/49/50/00/646495000.db2.gz NKZZCUYCLAHNJX-UHFFFAOYSA-N 1 0 229.327 2.307 20 30 BEEDRO C[C@H]1COC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000925926524 646542997 /nfs/dbraw/zinc/54/29/97/646542997.db2.gz QCYLZUSAOQSNHA-FZMZJTMJSA-N 1 0 242.322 2.172 20 30 BEEDRO C=CCOCC[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000926117038 646577238 /nfs/dbraw/zinc/57/72/38/646577238.db2.gz VOHGOTWNJCDDNI-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1nonc1C ZINC000926197164 646592935 /nfs/dbraw/zinc/59/29/35/646592935.db2.gz BYLHLKVHGRUZCV-VIFPVBQESA-N 1 0 209.293 2.385 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)[C@@H]1CCCO1 ZINC000926212371 646595393 /nfs/dbraw/zinc/59/53/93/646595393.db2.gz XFTMQUWDKCVOFA-ZQNQSHIBSA-N 1 0 231.339 2.112 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H]1CCCO1 ZINC000926212791 646595986 /nfs/dbraw/zinc/59/59/86/646595986.db2.gz ZTBBRMYBCWGAJI-AGIUHOORSA-N 1 0 234.343 2.085 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000926322135 646615636 /nfs/dbraw/zinc/61/56/36/646615636.db2.gz DBWCNOIXEAVDFN-JTQLQIEISA-N 1 0 222.336 2.223 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cc(OC)no1 ZINC000926322690 646616388 /nfs/dbraw/zinc/61/63/88/646616388.db2.gz HMZOSYVLKJJHIW-VIFPVBQESA-N 1 0 210.277 2.300 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](CO)CC1CCC1 ZINC000926337115 646618926 /nfs/dbraw/zinc/61/89/26/646618926.db2.gz ITXZIFNQROLIGN-DGCLKSJQSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccnnc1 ZINC000926342922 646621090 /nfs/dbraw/zinc/62/10/90/646621090.db2.gz OGBZYGTYMMOWAK-YUTCNCBUSA-N 1 0 247.342 2.108 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cn(C)cn1 ZINC000926356585 646625338 /nfs/dbraw/zinc/62/53/38/646625338.db2.gz NBZVYPKYLHDPIT-HIFPTAJRSA-N 1 0 246.358 2.401 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926483157 646656319 /nfs/dbraw/zinc/65/63/19/646656319.db2.gz RHOCSQVZYZFEOZ-GHMZBOCLSA-N 1 0 234.347 2.476 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]1C ZINC000926511804 646669174 /nfs/dbraw/zinc/66/91/74/646669174.db2.gz GYMWEVAABPGEOF-QNWJLWSRSA-N 1 0 222.332 2.082 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ccnnc1 ZINC000926512057 646669917 /nfs/dbraw/zinc/66/99/17/646669917.db2.gz JVTTXGCTQPJQHH-MDZLAQPJSA-N 1 0 230.315 2.210 20 30 BEEDRO N#CCCOCC[N@H+](Cc1ccoc1)C1CC1 ZINC000723745338 711536435 /nfs/dbraw/zinc/53/64/35/711536435.db2.gz UEARWDIEEDQBNH-UHFFFAOYSA-N 1 0 234.299 2.174 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000724836783 711617162 /nfs/dbraw/zinc/61/71/62/711617162.db2.gz WYFBFGCKJXQWSC-NSHDSACASA-N 1 0 240.322 2.129 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000724865956 711621980 /nfs/dbraw/zinc/62/19/80/711621980.db2.gz XYJHKIXUPAVEMA-ZOBORPQBSA-N 1 0 236.359 2.426 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000717840275 711627714 /nfs/dbraw/zinc/62/77/14/711627714.db2.gz FTSZBSFAVHQGDT-QWHCGFSZSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000725635146 711667671 /nfs/dbraw/zinc/66/76/71/711667671.db2.gz GNZVIRRMNCKYNW-LBPRGKRZSA-N 1 0 209.358 2.227 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(OC)CCSC1 ZINC000719267824 711669860 /nfs/dbraw/zinc/66/98/60/711669860.db2.gz NBBBZJNZCKWUIJ-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCC[NH2+][C@@H](CCO)c1cccs1 ZINC000393678668 711790994 /nfs/dbraw/zinc/79/09/94/711790994.db2.gz OBGPBRPEOHLNTC-JTQLQIEISA-N 1 0 211.330 2.337 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000591476917 711827746 /nfs/dbraw/zinc/82/77/46/711827746.db2.gz WZHMVDRNXHWKOH-STQMWFEESA-N 1 0 237.343 2.226 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033610206 712008097 /nfs/dbraw/zinc/00/80/97/712008097.db2.gz SFKIKDUOCUYEAY-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000703713907 712084223 /nfs/dbraw/zinc/08/42/23/712084223.db2.gz NGQBGZSUYULMDB-GFCCVEGCSA-N 1 0 224.348 2.121 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCC[NH2+]C2CC2)C1 ZINC000705834854 712136448 /nfs/dbraw/zinc/13/64/48/712136448.db2.gz NMOOPGMSOFYHOX-ZDUSSCGKSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000706671526 712151118 /nfs/dbraw/zinc/15/11/18/712151118.db2.gz ZRRGFQMTDXMYNX-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH+](C)C1(C)CCN(CCC(C)(C)C#N)CC1 ZINC000709894538 712231304 /nfs/dbraw/zinc/23/13/04/712231304.db2.gz YZCCEAQVCYXUBV-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CCCO1 ZINC000710007559 712239279 /nfs/dbraw/zinc/23/92/79/712239279.db2.gz CSTTXJNDNZLJAU-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711382466 712296048 /nfs/dbraw/zinc/29/60/48/712296048.db2.gz OQDVYGFSCRXXQD-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711382471 712296079 /nfs/dbraw/zinc/29/60/79/712296079.db2.gz OQDVYGFSCRXXQD-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1csc([C@@H](C)[NH2+]CCOCCC#N)n1 ZINC000378861634 712364040 /nfs/dbraw/zinc/36/40/40/712364040.db2.gz RJTAPMOZGDHBFK-SNVBAGLBSA-N 1 0 239.344 2.032 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000379344415 712375095 /nfs/dbraw/zinc/37/50/95/712375095.db2.gz QHKSRIQVOYHUPW-SSDOTTSWSA-N 1 0 244.136 2.226 20 30 BEEDRO CC(CC[NH+](C)C)=NOC/C=C\Cl ZINC000379399620 712382402 /nfs/dbraw/zinc/38/24/02/712382402.db2.gz HKARJWQSECFGHG-OYPNSIISSA-N 1 0 204.701 2.083 20 30 BEEDRO CC(CC[NH+](C)C)=NOC/C=C/Cl ZINC000379399621 712382715 /nfs/dbraw/zinc/38/27/15/712382715.db2.gz HKARJWQSECFGHG-QCKYBNNWSA-N 1 0 204.701 2.083 20 30 BEEDRO C#CCCC[NH2+]CCCc1ccc(C)nc1 ZINC000390533049 712420374 /nfs/dbraw/zinc/42/03/74/712420374.db2.gz JDQWACJBPKEPMY-UHFFFAOYSA-N 1 0 216.328 2.326 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+]CC(C)(C)CCC#N ZINC000712546296 712443944 /nfs/dbraw/zinc/44/39/44/712443944.db2.gz CNHJGOBAIJIPLZ-GFCCVEGCSA-N 1 0 223.364 2.000 20 30 BEEDRO CC#CC[NH2+]C1(CO)CCCCCCC1 ZINC000713447262 712460816 /nfs/dbraw/zinc/46/08/16/712460816.db2.gz OZHTVRNRBSFAOL-UHFFFAOYSA-N 1 0 209.333 2.075 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCOC(F)(F)F ZINC000713434948 712460264 /nfs/dbraw/zinc/46/02/64/712460264.db2.gz HPELZOPVDFYQAN-MRVPVSSYSA-N 1 0 224.226 2.147 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176726 712550565 /nfs/dbraw/zinc/55/05/65/712550565.db2.gz UMLPOTKJKWBIFX-SECBINFHSA-N 1 0 206.245 2.431 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000716823440 712576756 /nfs/dbraw/zinc/57/67/56/712576756.db2.gz ZHBKEEFCTPGCKQ-HZSPNIEDSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)C1CCCC1 ZINC000716928253 712596473 /nfs/dbraw/zinc/59/64/73/712596473.db2.gz GVPJMFGYUMTUAA-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](C)C(C)(C)C ZINC000716929411 712596503 /nfs/dbraw/zinc/59/65/03/712596503.db2.gz SFDARJFNCQDZHM-NEPJUHHUSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CC1CCC1 ZINC000716928738 712596518 /nfs/dbraw/zinc/59/65/18/712596518.db2.gz NFKWRZWMSMGPLP-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CCCCCC1 ZINC000716927867 712596599 /nfs/dbraw/zinc/59/65/99/712596599.db2.gz DKJDTLVNDKOPQY-ZDUSSCGKSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000379855706 712617181 /nfs/dbraw/zinc/61/71/81/712617181.db2.gz BYNIFZLKORBYBN-JGVFFNPUSA-N 1 0 243.656 2.438 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccc(C)s1 ZINC000379920814 712627132 /nfs/dbraw/zinc/62/71/32/712627132.db2.gz HNEAGJNOPOXLEK-LLVKDONJSA-N 1 0 223.341 2.357 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])NCC(C)C ZINC000379922941 712627570 /nfs/dbraw/zinc/62/75/70/712627570.db2.gz RGXLLIRGTWOJNZ-UHFFFAOYSA-N 1 0 211.353 2.359 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000717762179 712674322 /nfs/dbraw/zinc/67/43/22/712674322.db2.gz ALOOEMXJOKHBDN-GMTAPVOTSA-N 1 0 249.276 2.081 20 30 BEEDRO C#CCCC[NH2+]C(C)(C)C1CCOCC1 ZINC000380074335 712685117 /nfs/dbraw/zinc/68/51/17/712685117.db2.gz DZKWRTBVHRPDGO-UHFFFAOYSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000717840477 712691298 /nfs/dbraw/zinc/69/12/98/712691298.db2.gz GYXXJBALAOZDDW-BFHYXJOUSA-N 1 0 223.360 2.319 20 30 BEEDRO CCNC(NCc1ccc(Cl)s1)=[NH+]CC ZINC000195522848 712730519 /nfs/dbraw/zinc/73/05/19/712730519.db2.gz LOSAUWWQFLIALW-UHFFFAOYSA-N 1 0 245.779 2.477 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718856407 712786152 /nfs/dbraw/zinc/78/61/52/712786152.db2.gz CXVZAFOTHGEVIZ-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCO1 ZINC000380217140 712827024 /nfs/dbraw/zinc/82/70/24/712827024.db2.gz IMOCAORWWIDOIB-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000380253019 712846312 /nfs/dbraw/zinc/84/63/12/712846312.db2.gz PQTJWYRBRDFSMH-DGCLKSJQSA-N 1 0 208.349 2.025 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000380323424 712883429 /nfs/dbraw/zinc/88/34/29/712883429.db2.gz LFIJZQPGRHWDOY-VXGBXAGGSA-N 1 0 243.441 2.473 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000380361008 712897367 /nfs/dbraw/zinc/89/73/67/712897367.db2.gz YKEUHRSYQOIYHE-CHWSQXEVSA-N 1 0 212.381 2.497 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038016066 712898066 /nfs/dbraw/zinc/89/80/66/712898066.db2.gz DENUOTVBFDMVFO-AWEZNQCLSA-N 1 0 244.338 2.067 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000381569031 710655610 /nfs/dbraw/zinc/65/56/10/710655610.db2.gz WCURCQVMHNPTLD-YUSALJHKSA-N 1 0 236.340 2.063 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC12CCC2 ZINC000381638433 710665575 /nfs/dbraw/zinc/66/55/75/710665575.db2.gz HJFKGDFGGLLJIC-LLVKDONJSA-N 1 0 209.358 2.275 20 30 BEEDRO C=C(C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(C)=O ZINC001039251548 710723296 /nfs/dbraw/zinc/72/32/96/710723296.db2.gz SQOXVMADRYDAOZ-AGUYFDCRSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723624696 710730082 /nfs/dbraw/zinc/73/00/82/710730082.db2.gz LSNSOQUXGOXZRS-RWMBFGLXSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](Cc1ccoc1)C1CC1 ZINC000723737946 710731017 /nfs/dbraw/zinc/73/10/17/710731017.db2.gz FIARVACGXWQHHD-NSHDSACASA-N 1 0 234.299 2.173 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1C ZINC000724156572 710738079 /nfs/dbraw/zinc/73/80/79/710738079.db2.gz KKIYZZPOVYYQHH-GJZGRUSLSA-N 1 0 244.338 2.476 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000381874543 710757406 /nfs/dbraw/zinc/75/74/06/710757406.db2.gz ZREUCUAEQLXRKS-RDBSUJKOSA-N 1 0 223.360 2.482 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1scnc1C ZINC000384183755 710807566 /nfs/dbraw/zinc/80/75/66/710807566.db2.gz RHSJSUUBPJSUOC-LLVKDONJSA-N 1 0 208.330 2.343 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC000384191580 710813473 /nfs/dbraw/zinc/81/34/73/710813473.db2.gz HISGDXLXXLCOTI-SMDDNHRTSA-N 1 0 238.375 2.071 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@@H](C)C1 ZINC001044469186 710826542 /nfs/dbraw/zinc/82/65/42/710826542.db2.gz CAPATODDGNHJPM-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)C)[C@@H](C)C1 ZINC001044469195 710827136 /nfs/dbraw/zinc/82/71/36/710827136.db2.gz CAPATODDGNHJPM-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)C)[C@H](C)C1 ZINC001044423403 710827294 /nfs/dbraw/zinc/82/72/94/710827294.db2.gz VUHOXYMHASWZHL-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C\C2CC2)[C@@H](C)C1 ZINC001044522639 710828079 /nfs/dbraw/zinc/82/80/79/710828079.db2.gz JNMDMKQBDFDOBE-SLBFPRPFSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccco2)C1 ZINC001046099112 710848829 /nfs/dbraw/zinc/84/88/29/710848829.db2.gz GMZGAYLJQOUSRC-CQSZACIVSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)C2CC=CC2)C1 ZINC001046207495 710854130 /nfs/dbraw/zinc/85/41/30/710854130.db2.gz NHLNFPOWLVPRGT-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC ZINC001049280511 710898460 /nfs/dbraw/zinc/89/84/60/710898460.db2.gz VHHYCARMHIQLTG-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CCC1 ZINC001049272488 710898597 /nfs/dbraw/zinc/89/85/97/710898597.db2.gz NTKSVONLJYCKDH-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC ZINC001049280512 710898841 /nfs/dbraw/zinc/89/88/41/710898841.db2.gz VHHYCARMHIQLTG-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C=C(C)C ZINC001049293668 710899197 /nfs/dbraw/zinc/89/91/97/710899197.db2.gz VPNXYMKDWGCXSJ-UONOGXRCSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CC(C)C)C[C@H]1C ZINC001054342976 710930140 /nfs/dbraw/zinc/93/01/40/710930140.db2.gz JUTWDWODAJJYPX-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2=CCCC2)C[C@@H]1C ZINC001054572648 710938579 /nfs/dbraw/zinc/93/85/79/710938579.db2.gz XGWIUEXZKLXPQF-GXTWGEPZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C ZINC001055026837 710944245 /nfs/dbraw/zinc/94/42/45/710944245.db2.gz QMOFAZNGPSSENC-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)C)CC1 ZINC001052211981 710964560 /nfs/dbraw/zinc/96/45/60/710964560.db2.gz JPKAWYVBZAIPEJ-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000133180781 710969893 /nfs/dbraw/zinc/96/98/93/710969893.db2.gz LENHHTXSXRWLJD-JSGCOSHPSA-N 1 0 229.323 2.444 20 30 BEEDRO C=CC[N@@H+](C/C=C/C(=O)OCC)C(C)(C)C ZINC000382526259 710971807 /nfs/dbraw/zinc/97/18/07/710971807.db2.gz GOWNUIUWSVETPP-CMDGGOBGSA-N 1 0 225.332 2.392 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000384119884 710988880 /nfs/dbraw/zinc/98/88/80/710988880.db2.gz GQPIJQBPVVLPCK-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(C#N)c1 ZINC000384131920 710989483 /nfs/dbraw/zinc/98/94/83/710989483.db2.gz AVXVMIKCOSWALI-CQSZACIVSA-N 1 0 212.296 2.450 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1cccnc1 ZINC000384147100 710990287 /nfs/dbraw/zinc/99/02/87/710990287.db2.gz FVYJXXFGZBMGJW-CYBMUJFWSA-N 1 0 202.301 2.016 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C)cn1 ZINC000384169581 710991987 /nfs/dbraw/zinc/99/19/87/710991987.db2.gz MJUBPUNNTPJFIA-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000384236087 710992652 /nfs/dbraw/zinc/99/26/52/710992652.db2.gz ZBLJFGCDIMDLMI-SWLSCSKDSA-N 1 0 244.338 2.405 20 30 BEEDRO CC(C)C[N@H+](CCOCCC#N)C1CC1 ZINC000385211854 711007283 /nfs/dbraw/zinc/00/72/83/711007283.db2.gz JHEWFDQIVATKCD-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1cc(F)ccc1C ZINC000385491702 711012707 /nfs/dbraw/zinc/01/27/07/711012707.db2.gz IITLORKNGPDGTO-UHFFFAOYSA-N 1 0 248.345 2.179 20 30 BEEDRO CC[N@H+](CCOCCC#N)CCC1CC1 ZINC000385702648 711016440 /nfs/dbraw/zinc/01/64/40/711016440.db2.gz ISHXPTNBCDEDDL-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO N#CCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000388429068 711061083 /nfs/dbraw/zinc/06/10/83/711061083.db2.gz MBAWWYUXMUGGFF-SSDOTTSWSA-N 1 0 207.104 2.074 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)[C@@H]1CCCO1 ZINC000390146557 711105870 /nfs/dbraw/zinc/10/58/70/711105870.db2.gz RGTYUINBLVEVPA-RQJABVFESA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC12CCC2)[C@@H]1CCCO1 ZINC000390157134 711107067 /nfs/dbraw/zinc/10/70/67/711107067.db2.gz XFLIVTGKJYBWFS-RWMBFGLXSA-N 1 0 219.328 2.090 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000390171868 711107769 /nfs/dbraw/zinc/10/77/69/711107769.db2.gz HDPOZCZRNCPZKF-NSHDSACASA-N 1 0 215.300 2.398 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C1(C(N)=O)CC1 ZINC000390422131 711116247 /nfs/dbraw/zinc/11/62/47/711116247.db2.gz KJFRTNDPXLQHLC-LLVKDONJSA-N 1 0 224.348 2.119 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)[C@H]1CCCO1 ZINC000390445530 711117267 /nfs/dbraw/zinc/11/72/67/711117267.db2.gz XJPXQNVUZVGMOU-IGQOVBAYSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC000390438522 711117663 /nfs/dbraw/zinc/11/76/63/711117663.db2.gz UFKYONMNGVMNQU-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)[C@H]1CCCO1 ZINC000390487085 711120473 /nfs/dbraw/zinc/12/04/73/711120473.db2.gz OZUSGELQRMTCHD-FVCCEPFGSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)c1cnccn1)C(C)(C)C ZINC000390493608 711122202 /nfs/dbraw/zinc/12/22/02/711122202.db2.gz REOCFULBTDKUFU-CMPLNLGQSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)CC(C)(C)C)CC1 ZINC000072252740 711127281 /nfs/dbraw/zinc/12/72/81/711127281.db2.gz IKUTYOURRLRXKO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CO[C@@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC000390770445 711133696 /nfs/dbraw/zinc/13/36/96/711133696.db2.gz VNLMWEWKEMYWQQ-ZDUSSCGKSA-N 1 0 217.312 2.053 20 30 BEEDRO C#C[C@H]([NH2+]C1CCCCCC1)[C@@H]1CCCO1 ZINC000393759329 711172224 /nfs/dbraw/zinc/17/22/24/711172224.db2.gz ZDSMRABQZQANPN-KBPBESRZSA-N 1 0 221.344 2.480 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000393796278 711175134 /nfs/dbraw/zinc/17/51/34/711175134.db2.gz JXALPTJFHHCHTC-UMSGYPCISA-N 1 0 227.348 2.123 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001071419894 711191723 /nfs/dbraw/zinc/19/17/23/711191723.db2.gz GJGSCMFAOGUUAU-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO CCCC[N@H+](CCOCCC#N)C1CC1 ZINC000395438007 711212204 /nfs/dbraw/zinc/21/22/04/711212204.db2.gz KKTHMBULZLLAJH-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CC#Cc2ccccc2)CO1 ZINC000396594799 711358227 /nfs/dbraw/zinc/35/82/27/711358227.db2.gz NQBQFTVJACGKAH-AWEZNQCLSA-N 1 0 229.323 2.195 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000398092615 711400427 /nfs/dbraw/zinc/40/04/27/711400427.db2.gz YQIBTNWWTZEXAB-YNEHKIRRSA-N 1 0 238.375 2.378 20 30 BEEDRO C[C@H](CCCCO)[NH2+]CC#Cc1ccccc1 ZINC000398557081 711412081 /nfs/dbraw/zinc/41/20/81/711412081.db2.gz ZKMQDKDHRZWIOG-CQSZACIVSA-N 1 0 231.339 2.179 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000384124549 710619170 /nfs/dbraw/zinc/61/91/70/710619170.db2.gz ASNNSOGOCBPERS-KBPBESRZSA-N 1 0 222.376 2.252 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000393790686 710719141 /nfs/dbraw/zinc/71/91/41/710719141.db2.gz ISTFGZSSYRGJEJ-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H](O)COC(C)C)CC1 ZINC000724459395 710741324 /nfs/dbraw/zinc/74/13/24/710741324.db2.gz OMDXJWYYZAPILT-AWEZNQCLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CO[C@@H](C)C2)CC1 ZINC000724587147 710742130 /nfs/dbraw/zinc/74/21/30/710742130.db2.gz ZAKDCFAXJVJOLU-WCQYABFASA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1c(C)noc1C ZINC000384183551 710806606 /nfs/dbraw/zinc/80/66/06/710806606.db2.gz RDVJXNMPRDOJKV-LBPRGKRZSA-N 1 0 206.289 2.183 20 30 BEEDRO C[C@H]([NH2+]CCOC(C)(C)C)c1cc(C#N)ccn1 ZINC000902907109 710888857 /nfs/dbraw/zinc/88/88/57/710888857.db2.gz NJKQWWGAJWRDSW-NSHDSACASA-N 1 0 247.342 2.419 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]CC)C1 ZINC001054970747 710943348 /nfs/dbraw/zinc/94/33/48/710943348.db2.gz HUSXEBYMPRYVPN-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO CN1CCC[NH+]=C1NCCCC1CCCC1 ZINC000386577882 711032991 /nfs/dbraw/zinc/03/29/91/711032991.db2.gz NTEPRVSSLYKDEH-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392448847 711147083 /nfs/dbraw/zinc/14/70/83/711147083.db2.gz FQJFVITVCGFOEB-RKDXNWHRSA-N 1 0 208.309 2.118 20 30 BEEDRO C=CCC[NH2+]Cc1ccsc1C(=O)OC ZINC000393224565 711155920 /nfs/dbraw/zinc/15/59/20/711155920.db2.gz XDEHCXHLPFEQJT-UHFFFAOYSA-N 1 0 225.313 2.200 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@]1(C)CO ZINC000723045732 711498004 /nfs/dbraw/zinc/49/80/04/711498004.db2.gz WAZMVFUEWQEIBO-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C=CCCCON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000077239564 711524609 /nfs/dbraw/zinc/52/46/09/711524609.db2.gz RJIGTCUSLZAYGT-LBPRGKRZSA-N 1 0 239.363 2.116 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1oc(C)nc1C)C(C)C ZINC000723608883 711525310 /nfs/dbraw/zinc/52/53/10/711525310.db2.gz KXCZZRZTZHLKFC-LLVKDONJSA-N 1 0 206.289 2.039 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723643563 711529382 /nfs/dbraw/zinc/52/93/82/711529382.db2.gz IQLBYGWAEKTBSP-AAVRWANBSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCOC1 ZINC000723976214 711550502 /nfs/dbraw/zinc/55/05/02/711550502.db2.gz QCWBTDFNRHLYAY-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCOC1 ZINC000724000744 711553444 /nfs/dbraw/zinc/55/34/44/711553444.db2.gz RYZBLAAVDGBPJZ-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721498728 711563846 /nfs/dbraw/zinc/56/38/46/711563846.db2.gz CGUJRQHUCYKAOB-GRYCIOLGSA-N 1 0 229.327 2.430 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000724163684 711565912 /nfs/dbraw/zinc/56/59/12/711565912.db2.gz PTVMJVIAEDBRNL-LSDHHAIUSA-N 1 0 244.338 2.476 20 30 BEEDRO C=CC[C@H]1CCN1CC(=O)OCc1ccccc1 ZINC000934469400 711587767 /nfs/dbraw/zinc/58/77/67/711587767.db2.gz UACBAMTYBAHLLY-AWEZNQCLSA-N 1 0 245.322 2.380 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000724549720 711589419 /nfs/dbraw/zinc/58/94/19/711589419.db2.gz PTPAZTCVOSJNCD-SNVBAGLBSA-N 1 0 237.265 2.246 20 30 BEEDRO C=C1CCC(C[NH2+]C2CC(OC)C2)CC1 ZINC000724550686 711589502 /nfs/dbraw/zinc/58/95/02/711589502.db2.gz YRQFPCQFDQRQBT-UHFFFAOYSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC000972244729 711591068 /nfs/dbraw/zinc/59/10/68/711591068.db2.gz HDEORPUAVYEECL-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000724836782 711617196 /nfs/dbraw/zinc/61/71/96/711617196.db2.gz WYFBFGCKJXQWSC-LLVKDONJSA-N 1 0 240.322 2.129 20 30 BEEDRO Cc1cc(N(C)C)ccc1C=[NH+]N[C@H](C)CC#N ZINC000841634364 711624045 /nfs/dbraw/zinc/62/40/45/711624045.db2.gz YBJTXZMKJJLYBW-GFCCVEGCSA-N 1 0 244.342 2.287 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000721573224 711649174 /nfs/dbraw/zinc/64/91/74/711649174.db2.gz SWGJGHBXIZNAKA-CQSZACIVSA-N 1 0 227.311 2.328 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC000725076481 711649241 /nfs/dbraw/zinc/64/92/41/711649241.db2.gz DIKYZUAGEPYZBD-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725114200 711652492 /nfs/dbraw/zinc/65/24/92/711652492.db2.gz KCRBYMJJLXGINO-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)[C@H]1C ZINC000721597275 711656690 /nfs/dbraw/zinc/65/66/90/711656690.db2.gz JZNMFQSRVNZIHT-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO C[N@H+](Cc1cncc(C#N)c1)C1CCCC1 ZINC000721614904 711670851 /nfs/dbraw/zinc/67/08/51/711670851.db2.gz NOUOKVHWSGNBRP-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c1 ZINC000721624565 711671574 /nfs/dbraw/zinc/67/15/74/711671574.db2.gz WPTSADHVGJJTOF-OKILXGFUSA-N 1 0 227.311 2.185 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000178059776 711674450 /nfs/dbraw/zinc/67/44/50/711674450.db2.gz GWRQEADBKVYTEI-JTQLQIEISA-N 1 0 206.264 2.285 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000973021256 711677540 /nfs/dbraw/zinc/67/75/40/711677540.db2.gz ABQNIOIWZNQUDY-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@@H]([N@@H+](C)CCO[C@@H](C)C#N)C1(C)CC1 ZINC000393790698 711678652 /nfs/dbraw/zinc/67/86/52/711678652.db2.gz ISTFGZSSYRGJEJ-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO CCCCCCCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000385237023 711683613 /nfs/dbraw/zinc/68/36/13/711683613.db2.gz KTFFHCPSZDJLNF-NEPJUHHUSA-N 1 0 226.364 2.295 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CCC(C)C ZINC000328092272 711689268 /nfs/dbraw/zinc/68/92/68/711689268.db2.gz IZOMIBSKTITBPY-CQSZACIVSA-N 1 0 224.392 2.356 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)CCCC ZINC000328088454 711689401 /nfs/dbraw/zinc/68/94/01/711689401.db2.gz IFIMZLOYQNPCNS-CQSZACIVSA-N 1 0 224.392 2.500 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000335008305 711719493 /nfs/dbraw/zinc/71/94/93/711719493.db2.gz SBBXMXCIOPDBOT-YPMHNXCESA-N 1 0 216.328 2.493 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000721384184 711719738 /nfs/dbraw/zinc/71/97/38/711719738.db2.gz BQSXNPXGRPNFGZ-HBNTYKKESA-N 1 0 249.276 2.488 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)CC(C)C)C1 ZINC001027276553 711724332 /nfs/dbraw/zinc/72/43/32/711724332.db2.gz KVRVYLGBPOCMOV-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C3CC3)O2)o1 ZINC000722315176 711734741 /nfs/dbraw/zinc/73/47/41/711734741.db2.gz PNOIUFGTROGNMJ-UONOGXRCSA-N 1 0 246.310 2.198 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000893607093 711746099 /nfs/dbraw/zinc/74/60/99/711746099.db2.gz UOLVTURRBSSIIK-ZSVAQUKISA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H](CC#N)[NH2+]CC1CCC(C#N)CC1 ZINC000389973068 711767429 /nfs/dbraw/zinc/76/74/29/711767429.db2.gz DAIJJMOXLURPRD-VOMCLLRMSA-N 1 0 205.305 2.208 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894795631 711772319 /nfs/dbraw/zinc/77/23/19/711772319.db2.gz BHZRKMXJPLEBMN-QWHCGFSZSA-N 1 0 240.347 2.059 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCCO)cc1 ZINC000194222808 711776418 /nfs/dbraw/zinc/77/64/18/711776418.db2.gz HXFZPDHHQIXKRA-ZDUSSCGKSA-N 1 0 247.338 2.122 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000895202446 711779984 /nfs/dbraw/zinc/77/99/84/711779984.db2.gz ODXMVINZSIXIIM-LLVKDONJSA-N 1 0 219.284 2.133 20 30 BEEDRO CCC(CC)(CC)CNC(=[NH2+])N[C@@H](C)COC ZINC000305044568 711785706 /nfs/dbraw/zinc/78/57/06/711785706.db2.gz KSIADKZIXLZCPB-NSHDSACASA-N 1 0 243.395 2.142 20 30 BEEDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000721845588 711789189 /nfs/dbraw/zinc/78/91/89/711789189.db2.gz IUBASHTYGGXTJZ-CQSZACIVSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@]1(C)CCCOC1 ZINC000925299261 711797692 /nfs/dbraw/zinc/79/76/92/711797692.db2.gz ATDJOCJRZGTIFG-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CC1(F)F ZINC000897630336 711798507 /nfs/dbraw/zinc/79/85/07/711798507.db2.gz VYGQVDYQGKZXRJ-POYBYMJQSA-N 1 0 243.282 2.148 20 30 BEEDRO C=C(Cl)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000379390489 711801148 /nfs/dbraw/zinc/80/11/48/711801148.db2.gz OBEKWFBCYMHITM-JTQLQIEISA-N 1 0 205.729 2.484 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000379599424 711804533 /nfs/dbraw/zinc/80/45/33/711804533.db2.gz JLPZCHDSLHDIHX-QMMMGPOBSA-N 1 0 212.680 2.190 20 30 BEEDRO CC(C)C([NH2+]CCO[C@@H](C)C#N)C(C)C ZINC000380345095 711818084 /nfs/dbraw/zinc/81/80/84/711818084.db2.gz SVZAFSYWMVJFTQ-NSHDSACASA-N 1 0 212.337 2.185 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000166727463 711827556 /nfs/dbraw/zinc/82/75/56/711827556.db2.gz JSXFISDHUFNYSQ-RYUDHWBXSA-N 1 0 207.317 2.090 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]CC#Cc1ccccc1 ZINC000228721587 711835970 /nfs/dbraw/zinc/83/59/70/711835970.db2.gz NBRIHHPMOKVCBV-OAHLLOKOSA-N 1 0 231.339 2.179 20 30 BEEDRO C#CCCC[NH2+]Cc1nc2ccccc2n1C ZINC000174612216 711841071 /nfs/dbraw/zinc/84/10/71/711841071.db2.gz XTNGBNSXMOXLHG-UHFFFAOYSA-N 1 0 227.311 2.076 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H](C)[NH+](C)C ZINC000914738133 711865204 /nfs/dbraw/zinc/86/52/04/711865204.db2.gz HEJHEYUXZBCSIB-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO C=C1CC(C)(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CCC)C1 ZINC001032614810 711929324 /nfs/dbraw/zinc/92/93/24/711929324.db2.gz ZSYGTRDDJIWIJA-STQMWFEESA-N 1 0 248.370 2.038 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000453292653 711956820 /nfs/dbraw/zinc/95/68/20/711956820.db2.gz OENFIWCUVFZOCV-GMXVVIOVSA-N 1 0 244.342 2.459 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001032907611 711966751 /nfs/dbraw/zinc/96/67/51/711966751.db2.gz WEDXUDCGGGAURK-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001032907613 711966875 /nfs/dbraw/zinc/96/68/75/711966875.db2.gz WEDXUDCGGGAURK-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)C)C1 ZINC001032916714 711968194 /nfs/dbraw/zinc/96/81/94/711968194.db2.gz AGDXIKXBTXUQHV-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C=C2CCC2)C1 ZINC001032995994 711970664 /nfs/dbraw/zinc/97/06/64/711970664.db2.gz GAVGAPULIAYTRE-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2=CCCC2)C1 ZINC001033005651 711971304 /nfs/dbraw/zinc/97/13/04/711971304.db2.gz SIGNZNKLZSLXPP-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC)[C@H](C)C1 ZINC001044423053 711975391 /nfs/dbraw/zinc/97/53/91/711975391.db2.gz VFQSEXBDPSJABR-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cncc(OC)c1 ZINC000700073653 711985790 /nfs/dbraw/zinc/98/57/90/711985790.db2.gz XTFSAGZGYYQFPB-UHFFFAOYSA-N 1 0 220.316 2.392 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000700723932 712003675 /nfs/dbraw/zinc/00/36/75/712003675.db2.gz KXUOLVNXHDBVOW-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1C#N ZINC000700692596 712003944 /nfs/dbraw/zinc/00/39/44/712003944.db2.gz WFRZWEJTYLTQRA-OCCSQVGLSA-N 1 0 212.296 2.461 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033603495 712007143 /nfs/dbraw/zinc/00/71/43/712007143.db2.gz LYVLTFHJZNRAIO-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1ccc(OCCN2CCC[C@@H](F)C2)cc1 ZINC000701697400 712027557 /nfs/dbraw/zinc/02/75/57/712027557.db2.gz CNWXUEBVWYMXGJ-CYBMUJFWSA-N 1 0 248.301 2.371 20 30 BEEDRO COC1CC([NH2+]Cc2ccc(C)c(C#N)c2)C1 ZINC000701867411 712030871 /nfs/dbraw/zinc/03/08/71/712030871.db2.gz GWGFFCQDGKAEIC-UHFFFAOYSA-N 1 0 230.311 2.134 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701881784 712031297 /nfs/dbraw/zinc/03/12/97/712031297.db2.gz YKSVXFMNJFNKEE-LBPRGKRZSA-N 1 0 232.327 2.381 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701860607 712031517 /nfs/dbraw/zinc/03/15/17/712031517.db2.gz FWAHAVCNHMFLIP-ZFWWWQNUSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C)nn1C ZINC000701903610 712031932 /nfs/dbraw/zinc/03/19/32/712031932.db2.gz BSCXDCVDHRBENT-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1nc(C)cs1 ZINC000701941099 712032540 /nfs/dbraw/zinc/03/25/40/712032540.db2.gz UVYWPJPKZMSQKW-JTQLQIEISA-N 1 0 240.397 2.469 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CO[C@H](CC)C1)C(C)(C)C ZINC000702246002 712041679 /nfs/dbraw/zinc/04/16/79/712041679.db2.gz LHNKCZVIOQUDCV-TUAOUCFPSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CO[C@@H](CC)C1)C(C)(C)C ZINC000702246001 712041804 /nfs/dbraw/zinc/04/18/04/712041804.db2.gz LHNKCZVIOQUDCV-SRVKXCTJSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(OC)s1)C(C)(C)C ZINC000702276742 712045034 /nfs/dbraw/zinc/04/50/34/712045034.db2.gz ORRMXGRQYWNCCK-JTQLQIEISA-N 1 0 238.356 2.289 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H]1SC ZINC000702427218 712052588 /nfs/dbraw/zinc/05/25/88/712052588.db2.gz RWSWBCJNOPXKOI-HTQZYQBOSA-N 1 0 236.178 2.379 20 30 BEEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001034624354 712073979 /nfs/dbraw/zinc/07/39/79/712073979.db2.gz PUGXAUDSSOJCHK-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C/C=C/C(=O)OCC)C1 ZINC000703691200 712083707 /nfs/dbraw/zinc/08/37/07/712083707.db2.gz SHHPTXYCZGBYHK-HOSRBBHYSA-N 1 0 223.316 2.004 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000703712726 712084430 /nfs/dbraw/zinc/08/44/30/712084430.db2.gz DTCKFTSJKGPBEU-STQMWFEESA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCCCNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000703762978 712086420 /nfs/dbraw/zinc/08/64/20/712086420.db2.gz WTFHNJWQXMFXSA-ZDUSSCGKSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]CC)[C@H](C)C1 ZINC001036144071 712158241 /nfs/dbraw/zinc/15/82/41/712158241.db2.gz RRTOKFWDVRXRGL-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC)[C@@H](C)C1 ZINC001036144074 712158448 /nfs/dbraw/zinc/15/84/48/712158448.db2.gz RRTOKFWDVRXRGL-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)c(F)c1 ZINC000706968067 712160342 /nfs/dbraw/zinc/16/03/42/712160342.db2.gz QXCIEKUBNHQWIU-GXFFZTMASA-N 1 0 216.259 2.292 20 30 BEEDRO N#Cc1cccc(OCC[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000706967035 712160429 /nfs/dbraw/zinc/16/04/29/712160429.db2.gz NDMMSXUDKHQQTC-GXTWGEPZSA-N 1 0 228.295 2.031 20 30 BEEDRO CCC[C@@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000708389389 712191734 /nfs/dbraw/zinc/19/17/34/712191734.db2.gz QZGVJOQRRBBFCI-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)[C@]12C[C@H]1CCCC2 ZINC000708844573 712200707 /nfs/dbraw/zinc/20/07/07/712200707.db2.gz YQHMRTHNFOCKCN-MJBXVCDLSA-N 1 0 236.359 2.475 20 30 BEEDRO CCC1(C[NH2+][C@@H](C)CC(C)(C)C#N)COC1 ZINC000710001540 712239405 /nfs/dbraw/zinc/23/94/05/712239405.db2.gz ONPZAIFMVXJJKZ-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709976020 712236485 /nfs/dbraw/zinc/23/64/85/712236485.db2.gz MTBDJKNIXRPKQK-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1=CCOCC1 ZINC000709979586 712236630 /nfs/dbraw/zinc/23/66/30/712236630.db2.gz HJJPOVHEPSGTPQ-NSHDSACASA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCCCCO ZINC000709980259 712236672 /nfs/dbraw/zinc/23/66/72/712236672.db2.gz MOQHFCRBRPIALD-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000710016794 712240560 /nfs/dbraw/zinc/24/05/60/712240560.db2.gz LXGAEVLXFNRJEF-CHWSQXEVSA-N 1 0 237.391 2.246 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710767082 712256615 /nfs/dbraw/zinc/25/66/15/712256615.db2.gz QIXTWJDJHIZJQA-LLVKDONJSA-N 1 0 220.341 2.346 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000711018714 712274886 /nfs/dbraw/zinc/27/48/86/712274886.db2.gz UVGKAHNWXGWPIS-HAQNSBGRSA-N 1 0 238.375 2.222 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000711026925 712275565 /nfs/dbraw/zinc/27/55/65/712275565.db2.gz PKROBXWTBPLVIN-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711123597 712285227 /nfs/dbraw/zinc/28/52/27/712285227.db2.gz ZXAOQZQXOCEVMK-CLLJXQQHSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711139867 712285320 /nfs/dbraw/zinc/28/53/20/712285320.db2.gz AEPAUNRXEAQQMW-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C[N@H+](CCC#N)C[C@@H]1CC(C)(C)OC1(C)C ZINC000711258496 712291983 /nfs/dbraw/zinc/29/19/83/712291983.db2.gz GTPSOGLVEXUZGL-NSHDSACASA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711376393 712295667 /nfs/dbraw/zinc/29/56/67/712295667.db2.gz IUBZENVHZRHYNB-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#Cc1ccc(F)c(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000711435354 712300178 /nfs/dbraw/zinc/30/01/78/712300178.db2.gz OSHDTLXSQRHXSY-NSHDSACASA-N 1 0 236.265 2.489 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711548279 712310633 /nfs/dbraw/zinc/31/06/33/712310633.db2.gz JDPOVKUOVOQSLD-OKILXGFUSA-N 1 0 244.363 2.353 20 30 BEEDRO C[C@@H]1NC[C@H](C)[N@@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000923435086 712321921 /nfs/dbraw/zinc/32/19/21/712321921.db2.gz DNOGGWBKFBBYDH-MFTHNPBUSA-N 1 0 249.402 2.387 20 30 BEEDRO C#CCCC[NH+]1CCC(C)(COC)CC1 ZINC000773719839 712415128 /nfs/dbraw/zinc/41/51/28/712415128.db2.gz KTKDIGQJEGMLGG-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO N#C[C@H]1CCCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712392216 712428627 /nfs/dbraw/zinc/42/86/27/712428627.db2.gz SZVXTZFZYXULNC-OLZOCXBDSA-N 1 0 234.343 2.324 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000713062147 712451914 /nfs/dbraw/zinc/45/19/14/712451914.db2.gz AEPMFSJQIHZGAA-QJPTWQEYSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713116374 712452896 /nfs/dbraw/zinc/45/28/96/712452896.db2.gz DMVXCKNJRRKVBC-GHMZBOCLSA-N 1 0 226.364 2.077 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(CCCO)CC1 ZINC000715044829 712504837 /nfs/dbraw/zinc/50/48/37/712504837.db2.gz AWNUKNDOFYIGOY-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715443669 712519361 /nfs/dbraw/zinc/51/93/61/712519361.db2.gz WSOUHQDSKLTUET-MELADBBJSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(C(=O)OCC)CC1 ZINC000715741013 712531047 /nfs/dbraw/zinc/53/10/47/712531047.db2.gz RKXONHIWGPLLSH-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000715742397 712531397 /nfs/dbraw/zinc/53/13/97/712531397.db2.gz YMLIPOGECVZELB-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C/C=C/c1ccccc1 ZINC000716356326 712556318 /nfs/dbraw/zinc/55/63/18/712556318.db2.gz ONPUQBJWDFNRKK-USYSOWRXSA-N 1 0 229.323 2.328 20 30 BEEDRO CCNC(NCCCCC1CC1)=[NH+]CC ZINC000716414089 712559254 /nfs/dbraw/zinc/55/92/54/712559254.db2.gz WSBXKCADXRBYHN-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716551588 712563222 /nfs/dbraw/zinc/56/32/22/712563222.db2.gz RJDRPXKZECILSD-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000716634820 712567950 /nfs/dbraw/zinc/56/79/50/712567950.db2.gz CPIFVVBRDLICQZ-QCZKYFFMSA-N 1 0 247.367 2.396 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1 ZINC000809549646 712584391 /nfs/dbraw/zinc/58/43/91/712584391.db2.gz RNBXDBHNMDNRNM-UHFFFAOYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)cc1 ZINC000809643781 712584696 /nfs/dbraw/zinc/58/46/96/712584696.db2.gz ACQXOKZYWZCBPP-UHFFFAOYSA-N 1 0 243.350 2.403 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)C1CCCC1 ZINC000716928255 712596407 /nfs/dbraw/zinc/59/64/07/712596407.db2.gz GVPJMFGYUMTUAA-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1csc(C)c1 ZINC000716930017 712596431 /nfs/dbraw/zinc/59/64/31/712596431.db2.gz WNVVHPADDUVAHQ-LBPRGKRZSA-N 1 0 223.341 2.184 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000716936091 712597510 /nfs/dbraw/zinc/59/75/10/712597510.db2.gz QZUFMNAYSXMDAS-CYBMUJFWSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000716936223 712597761 /nfs/dbraw/zinc/59/77/61/712597761.db2.gz RUBMPDOWYMZAFK-CQSZACIVSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000716945557 712598534 /nfs/dbraw/zinc/59/85/34/712598534.db2.gz LMQVEJQNRNXEMM-AWEZNQCLSA-N 1 0 247.338 2.132 20 30 BEEDRO N#CCCCCC(=O)OCCC[NH+]1CCCC1 ZINC000848866232 712610147 /nfs/dbraw/zinc/61/01/47/712610147.db2.gz JUGGUWHWCREODB-UHFFFAOYSA-N 1 0 238.331 2.099 20 30 BEEDRO C#CCC[N@@H+](CCOC)[C@H]1C=CCCC1 ZINC000852752317 712612945 /nfs/dbraw/zinc/61/29/45/712612945.db2.gz YOHBBCZDOKKWEX-ZDUSSCGKSA-N 1 0 207.317 2.067 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000379847259 712616687 /nfs/dbraw/zinc/61/66/87/712616687.db2.gz IFGDOFXSHWDZKG-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO CCC[N@H+](CCO[C@H](C)C#N)CC1CC1 ZINC000379925057 712628208 /nfs/dbraw/zinc/62/82/08/712628208.db2.gz TWYUXKSLDJXRHD-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000880484297 712633366 /nfs/dbraw/zinc/63/33/66/712633366.db2.gz UGCACFFQAYMZDY-ZDUSSCGKSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CCC1(O)CC[NH+](CC(=C)CC)CC1 ZINC000717408106 712656165 /nfs/dbraw/zinc/65/61/65/712656165.db2.gz WOQMUIOEZUECLU-UHFFFAOYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000717420001 712657028 /nfs/dbraw/zinc/65/70/28/712657028.db2.gz VHIXZKUAUNNITO-ZDUSSCGKSA-N 1 0 221.344 2.498 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000717740064 712668381 /nfs/dbraw/zinc/66/83/81/712668381.db2.gz NCAIJRAKNNXURA-HNNXBMFYSA-N 1 0 231.339 2.284 20 30 BEEDRO CC(C)[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000380015231 712670015 /nfs/dbraw/zinc/67/00/15/712670015.db2.gz MYLLJBYENOJSFU-VXGBXAGGSA-N 1 0 210.321 2.035 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CC(c2ccccc2)C1 ZINC000717760883 712673678 /nfs/dbraw/zinc/67/36/78/712673678.db2.gz NYCHZTYHSYCHPG-HWOWSKLDSA-N 1 0 243.350 2.297 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1 ZINC000717764426 712674409 /nfs/dbraw/zinc/67/44/09/712674409.db2.gz KAGCUWXLXLJBKW-HOCLYGCPSA-N 1 0 245.366 2.372 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000717788483 712677659 /nfs/dbraw/zinc/67/76/59/712677659.db2.gz SKQGLTJDLDQBIU-HOTGVXAUSA-N 1 0 245.366 2.400 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C(CCC)CCC ZINC000717795223 712678339 /nfs/dbraw/zinc/67/83/39/712678339.db2.gz RUCWRANJJFYWDZ-CYBMUJFWSA-N 1 0 211.349 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCCCCCC1 ZINC000717824207 712681779 /nfs/dbraw/zinc/68/17/79/712681779.db2.gz VVESVINRSUXBNV-AWEZNQCLSA-N 1 0 223.360 2.463 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000717832881 712683027 /nfs/dbraw/zinc/68/30/27/712683027.db2.gz ZEWHZZQKVIUYTA-BZTHDZJNSA-N 1 0 235.371 2.175 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000380093945 712685510 /nfs/dbraw/zinc/68/55/10/712685510.db2.gz JRYZRWYPCNAXED-RWMBFGLXSA-N 1 0 209.333 2.051 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000717840100 712686888 /nfs/dbraw/zinc/68/68/88/712686888.db2.gz DGKIFZRMJMBIHJ-BFHYXJOUSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CCN(Cc1ccc(CC)o1)C1CC1 ZINC000274084070 712690086 /nfs/dbraw/zinc/69/00/86/712690086.db2.gz HPCBWPYJBISBRW-UHFFFAOYSA-N 1 0 203.285 2.440 20 30 BEEDRO CN(C)[C@@H]1[C@H]2C[N@H+](CCCCC(C)(C)C#N)C[C@H]21 ZINC000384994021 712707730 /nfs/dbraw/zinc/70/77/30/712707730.db2.gz VLFLQWHLPCKEJO-WDNDVIMCSA-N 1 0 249.402 2.198 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930590722 712712922 /nfs/dbraw/zinc/71/29/22/712712922.db2.gz XRYJVGXRGJHHHO-JGPRNRPPSA-N 1 0 213.271 2.233 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cc(C)co1 ZINC000718112036 712743977 /nfs/dbraw/zinc/74/39/77/712743977.db2.gz YWGTZGMYADTVDO-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C2OCCO2)CC1 ZINC000719081969 712796527 /nfs/dbraw/zinc/79/65/27/712796527.db2.gz USEORIGGQSUOLN-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000719578203 712811877 /nfs/dbraw/zinc/81/18/77/712811877.db2.gz UKRKKTQGRGFFKZ-YPMHNXCESA-N 1 0 244.342 2.075 20 30 BEEDRO C[C@@H]1[C@@H](Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000719598475 712813188 /nfs/dbraw/zinc/81/31/88/712813188.db2.gz GVOBZYPXOUAXGS-MFKMUULPSA-N 1 0 215.300 2.063 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719680365 712818860 /nfs/dbraw/zinc/81/88/60/712818860.db2.gz DYYDHGSDSGTBST-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCO1 ZINC000380217171 712827256 /nfs/dbraw/zinc/82/72/56/712827256.db2.gz IMOCAORWWIDOIB-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361729 712835274 /nfs/dbraw/zinc/83/52/74/712835274.db2.gz COIYPLSZTQXWSU-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO C[N@H+](CCOCCC#N)C1(C)CCCC1 ZINC000720370710 712836243 /nfs/dbraw/zinc/83/62/43/712836243.db2.gz AFBYMJCSVBESCH-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000720457140 712844276 /nfs/dbraw/zinc/84/42/76/712844276.db2.gz HHEBGWHIWGJSCO-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000720460922 712844640 /nfs/dbraw/zinc/84/46/40/712844640.db2.gz RSDURQFYSUULFC-LBPRGKRZSA-N 1 0 230.311 2.169 20 30 BEEDRO C[NH2+]CCN(Cc1ccc(C)c(C#N)c1)C(C)C ZINC000720775502 712864759 /nfs/dbraw/zinc/86/47/59/712864759.db2.gz HFTXZTLWKBRCIB-UHFFFAOYSA-N 1 0 245.370 2.297 20 30 BEEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2c1ccc(C#N)cc1 ZINC000720826662 712868668 /nfs/dbraw/zinc/86/86/68/712868668.db2.gz SGTYDLMWSODGFX-CABCVRRESA-N 1 0 241.338 2.231 20 30 BEEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2c1ccc(C#N)cc1 ZINC000720826663 712868821 /nfs/dbraw/zinc/86/88/21/712868821.db2.gz SGTYDLMWSODGFX-GJZGRUSLSA-N 1 0 241.338 2.231 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000720865890 712871278 /nfs/dbraw/zinc/87/12/78/712871278.db2.gz RDKKUPUCAZODMW-IHRRRGAJSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC001209200091 957349210 /nfs/dbraw/zinc/34/92/10/957349210.db2.gz BNTTYTUGZNSISE-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H]1C[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209422193 957436434 /nfs/dbraw/zinc/43/64/34/957436434.db2.gz SQGJQEFWDYXAOM-VEGXAWMVSA-N 1 0 204.317 2.409 20 30 BEEDRO Cn1c[nH+]cc1Nc1cccc(C#N)c1F ZINC001211250230 958113897 /nfs/dbraw/zinc/11/38/97/958113897.db2.gz JKHCPMIBGLQRMD-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO Cc1cncc(C[NH+]2CCC(S)CC2)c1 ZINC001207161107 958254230 /nfs/dbraw/zinc/25/42/30/958254230.db2.gz WKMFRXVDDKGRTD-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(CC)CC ZINC001283569398 959575143 /nfs/dbraw/zinc/57/51/43/959575143.db2.gz GESNNUXHEWRBJU-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721607305 959824306 /nfs/dbraw/zinc/82/43/06/959824306.db2.gz SKFQFZYDKPNJDI-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCCC)C1 ZINC001267610240 960105651 /nfs/dbraw/zinc/10/56/51/960105651.db2.gz USAGPWHWSBFOFL-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1ccncc1C[NH+]1CCC(S)CC1 ZINC001141035737 960221242 /nfs/dbraw/zinc/22/12/42/960221242.db2.gz AIYLIHHDMDFNMW-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO COC1(C[NH2+][C@H](C)CC(C)(C)C#N)CCC1 ZINC000695813353 960491132 /nfs/dbraw/zinc/49/11/32/960491132.db2.gz STLRCLYXCBKMIV-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC001342283918 961025576 /nfs/dbraw/zinc/02/55/76/961025576.db2.gz HKYKKEHSKQXOHU-DCBWTQNWSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001268224211 961440566 /nfs/dbraw/zinc/44/05/66/961440566.db2.gz OCKYTOIOYYKHOB-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCC[C@H]3C[C@H]32)cn1 ZINC001139771165 961490567 /nfs/dbraw/zinc/49/05/67/961490567.db2.gz QENFLRUDMPOVRL-QWHCGFSZSA-N 1 0 217.316 2.053 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001481685093 961559744 /nfs/dbraw/zinc/55/97/44/961559744.db2.gz NOPZKJJNULLHCO-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001481688702 961564760 /nfs/dbraw/zinc/56/47/60/961564760.db2.gz KXJAATHHFOAGQW-UKVQZPPCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C(CC)CC)C1 ZINC001481715205 961648382 /nfs/dbraw/zinc/64/83/82/961648382.db2.gz ZBOLNFUNTJTHRJ-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001268646908 962244636 /nfs/dbraw/zinc/24/46/36/962244636.db2.gz JQDNAQHIDATTKK-GFCCVEGCSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CCC1CCCC1 ZINC001154273395 962746780 /nfs/dbraw/zinc/74/67/80/962746780.db2.gz IWLLGDPYXOMIGF-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C1CC1 ZINC001482269022 962885760 /nfs/dbraw/zinc/88/57/60/962885760.db2.gz MMUGXHAQHCJNOA-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1c[nH+]c(NCC2(C#N)CCC2)cc1N ZINC001154995308 962938512 /nfs/dbraw/zinc/93/85/12/962938512.db2.gz JYKUOOMGDMMWDR-UHFFFAOYSA-N 1 0 216.288 2.078 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](F)CC ZINC001482320444 963087353 /nfs/dbraw/zinc/08/73/53/963087353.db2.gz VAYSMABDMOPYAC-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)CCC1CC1 ZINC001155958808 963218526 /nfs/dbraw/zinc/21/85/26/963218526.db2.gz ZYWPMIDEBVTTPI-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(CC)CC ZINC001482900176 964231672 /nfs/dbraw/zinc/23/16/72/964231672.db2.gz DDOAFRDZSRWNFM-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]([NH3+])C1CCCCC1 ZINC001160687573 964388920 /nfs/dbraw/zinc/38/89/20/964388920.db2.gz GUBVGNUAQHQXOC-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C#C[C@H]([NH2+]CC1(COC)CCC1)C(C)C ZINC000379871106 964915054 /nfs/dbraw/zinc/91/50/54/964915054.db2.gz QNYRUKMPKMKCCQ-LBPRGKRZSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@](C)(F)CCCC ZINC001483241516 964941500 /nfs/dbraw/zinc/94/15/00/964941500.db2.gz AWDLENSXEVCBHQ-AAEUAGOBSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001483495623 965021873 /nfs/dbraw/zinc/02/18/73/965021873.db2.gz FUSLWQRSBFDLFK-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000696074099 965233773 /nfs/dbraw/zinc/23/37/73/965233773.db2.gz XKENXYIHNKEIQV-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)C=C(C)C ZINC001272628739 966063353 /nfs/dbraw/zinc/06/33/53/966063353.db2.gz MVTYYPIOUVJFSE-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC ZINC001485142370 966552321 /nfs/dbraw/zinc/55/23/21/966552321.db2.gz NOYNPRMTGHKXRW-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CC(C)C ZINC001485272341 966572147 /nfs/dbraw/zinc/57/21/47/966572147.db2.gz PHHAZXNQUMOMBN-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](F)CC ZINC001485338496 966590722 /nfs/dbraw/zinc/59/07/22/966590722.db2.gz LTQITFGONYMKFH-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](F)CC ZINC001485338497 966591362 /nfs/dbraw/zinc/59/13/62/966591362.db2.gz LTQITFGONYMKFH-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)C=C(C)C ZINC001485460318 966601978 /nfs/dbraw/zinc/60/19/78/966601978.db2.gz MNCMPIMUIVTQFC-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(Br)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182329981 966634969 /nfs/dbraw/zinc/63/49/69/966634969.db2.gz UYRALWBTXZOLCF-ZJUUUORDSA-N 1 0 248.164 2.442 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)C/C=C(\C)C=C)C1CC1 ZINC001266424904 1165832974 /nfs/dbraw/zinc/83/29/74/1165832974.db2.gz XJBQAKASNKNSTI-TZWLIRKLSA-N 1 0 248.370 2.179 20 30 BEEDRO C#CC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168680779 967290808 /nfs/dbraw/zinc/29/08/08/967290808.db2.gz VRGUYEVTZPCTTD-SNVBAGLBSA-N 1 0 205.688 2.030 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C=C(CC)CC ZINC001485866873 967300589 /nfs/dbraw/zinc/30/05/89/967300589.db2.gz MIEIXNCWSLFNFW-GFCCVEGCSA-N 1 0 238.375 2.355 20 30 BEEDRO N#CCCCCOC1CC[NH+](CCF)CC1 ZINC001205662829 967749561 /nfs/dbraw/zinc/74/95/61/967749561.db2.gz CGGQKWPJLYDASW-UHFFFAOYSA-N 1 0 228.311 2.131 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000069767915 1165903201 /nfs/dbraw/zinc/90/32/01/1165903201.db2.gz SJDRGPGJDAXTSA-LBPRGKRZSA-N 1 0 217.312 2.239 20 30 BEEDRO C#CC1(O)CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000708168736 967936897 /nfs/dbraw/zinc/93/68/97/967936897.db2.gz DPUNXWYZDDHKHJ-UHFFFAOYSA-N 1 0 235.371 2.273 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C(C)=C1CCC1)C1CC1 ZINC001670470086 1165914532 /nfs/dbraw/zinc/91/45/32/1165914532.db2.gz PKLHWIQXFJBYSJ-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000689434798 1165916442 /nfs/dbraw/zinc/91/64/42/1165916442.db2.gz MKRFNAUAWXCAHR-WDEREUQCSA-N 1 0 229.414 2.227 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOC1CCCC1 ZINC000082627406 1165922940 /nfs/dbraw/zinc/92/29/40/1165922940.db2.gz PAZRWOILSNHVNV-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)C(C)(C)CC ZINC001691037504 1165967165 /nfs/dbraw/zinc/96/71/65/1165967165.db2.gz OYRPIXPSEZUJBF-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]1C ZINC000706769746 1166011595 /nfs/dbraw/zinc/01/15/95/1166011595.db2.gz UHCVCLCVOHPJFX-LLVKDONJSA-N 1 0 200.285 2.461 20 30 BEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)CC1CCC1 ZINC000402265283 1166018209 /nfs/dbraw/zinc/01/82/09/1166018209.db2.gz SUOSMENVRIFBHH-OAHLLOKOSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCCN(C(C)=O)C1 ZINC001206984397 968525569 /nfs/dbraw/zinc/52/55/69/968525569.db2.gz PGICHQTXGQVVAI-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H](O)CC ZINC001252135488 968610524 /nfs/dbraw/zinc/61/05/24/968610524.db2.gz DCMQSDIXZUQWFY-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001207335740 968726203 /nfs/dbraw/zinc/72/62/03/968726203.db2.gz PMORMWGDBRUQRR-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)C(C)C)C1 ZINC001207335741 968728508 /nfs/dbraw/zinc/72/85/08/968728508.db2.gz PMORMWGDBRUQRR-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)C1CC1 ZINC001772542970 1166096304 /nfs/dbraw/zinc/09/63/04/1166096304.db2.gz VOOBFSDYXWDTDE-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]CCCCCCC ZINC001252487362 968746481 /nfs/dbraw/zinc/74/64/81/968746481.db2.gz SBUPSORYGGTVRL-CYBMUJFWSA-N 1 0 229.364 2.110 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C(\C)CC ZINC001691076368 1166120754 /nfs/dbraw/zinc/12/07/54/1166120754.db2.gz KYTLLQMYTMRBSA-RSKUSDAESA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1ccc(F)cc1 ZINC001252554685 968795522 /nfs/dbraw/zinc/79/55/22/968795522.db2.gz JRRIWARCAZFSOS-CQSZACIVSA-N 1 0 237.318 2.237 20 30 BEEDRO C#C[C@@H]([NH2+]CCSC(C)(C)C)[C@@H]1CCCO1 ZINC000309423079 1166128102 /nfs/dbraw/zinc/12/81/02/1166128102.db2.gz AFRXZQWEADQNJX-NEPJUHHUSA-N 1 0 241.400 2.289 20 30 BEEDRO C=Cc1ccc(C[NH2+]C[C@@](C)(O)C=C)cc1 ZINC001252576824 968828647 /nfs/dbraw/zinc/82/86/47/968828647.db2.gz OVUVAIBXVJJPSU-AWEZNQCLSA-N 1 0 217.312 2.356 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1csc(Cl)c1 ZINC001252578040 968830653 /nfs/dbraw/zinc/83/06/53/968830653.db2.gz PPPSHAIVRNORCQ-SNVBAGLBSA-N 1 0 231.748 2.428 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCCC12CCC2 ZINC001252587750 968842797 /nfs/dbraw/zinc/84/27/97/968842797.db2.gz WSLWVZVVRJGIMP-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCCC12CCC2 ZINC001252587751 968843423 /nfs/dbraw/zinc/84/34/23/968843423.db2.gz WSLWVZVVRJGIMP-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)C(=O)CCCC ZINC001252618531 968877705 /nfs/dbraw/zinc/87/77/05/968877705.db2.gz WYIYTAHRJNHBGF-RYUDHWBXSA-N 1 0 227.348 2.051 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(CC2CC2)CC1 ZINC001252623778 968884893 /nfs/dbraw/zinc/88/48/93/968884893.db2.gz QSPBLWBJITUUEU-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H](O)COC(C)C ZINC001252679858 968891431 /nfs/dbraw/zinc/89/14/31/968891431.db2.gz GFQRHZVXDOQYHE-CYBMUJFWSA-N 1 0 229.364 2.060 20 30 BEEDRO CCCCCCCCCn1cc(C[NH3+])nn1 ZINC000088225168 1166164504 /nfs/dbraw/zinc/16/45/04/1166164504.db2.gz HNTBPFSHEMIXFS-UHFFFAOYSA-N 1 0 224.352 2.487 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000167553861 1166187947 /nfs/dbraw/zinc/18/79/47/1166187947.db2.gz PZZIJIUBQZTLSS-LLVKDONJSA-N 1 0 227.254 2.164 20 30 BEEDRO C=CC1CC[NH+](CC2(OC)CCC2)CC1 ZINC000450388461 1166191727 /nfs/dbraw/zinc/19/17/27/1166191727.db2.gz IDRWABFKYSAOBG-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)C[C@@H](C)CC ZINC001691303192 1166192035 /nfs/dbraw/zinc/19/20/35/1166192035.db2.gz NHHNAUDEPWYQSP-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC ZINC001691391922 1166209359 /nfs/dbraw/zinc/20/93/59/1166209359.db2.gz GNZAAMGDJSPHKF-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1CC1 ZINC001754299945 1166226512 /nfs/dbraw/zinc/22/65/12/1166226512.db2.gz ZSJRGHSNSVSUFI-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C(C)(C)CO ZINC001253228016 969115901 /nfs/dbraw/zinc/11/59/01/969115901.db2.gz ORKHMNRAJVDDEJ-ZDUSSCGKSA-N 1 0 243.391 2.234 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H](O)CCCCCCC=C ZINC001253250516 969121976 /nfs/dbraw/zinc/12/19/76/969121976.db2.gz BCDNNDVVFOZPBJ-KBPBESRZSA-N 1 0 223.360 2.485 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(=O)CC ZINC001253256071 969124573 /nfs/dbraw/zinc/12/45/73/969124573.db2.gz ROLSGFZQZOHZFR-AWEZNQCLSA-N 1 0 241.375 2.443 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H]1CCO1 ZINC001253248921 969124603 /nfs/dbraw/zinc/12/46/03/969124603.db2.gz CTAVXQYLDPCGLS-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO CCCCOCCC[NH2+][C@@H](CC)CC#N ZINC000229344602 1166245849 /nfs/dbraw/zinc/24/58/49/1166245849.db2.gz PZZUWZCONUXJSZ-LBPRGKRZSA-N 1 0 212.337 2.475 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1 ZINC000399783965 1166253849 /nfs/dbraw/zinc/25/38/49/1166253849.db2.gz WLDGWNCLWAOKOZ-SMDDNHRTSA-N 1 0 244.338 2.226 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2ccc(C#N)cc2Cl)C1 ZINC000258316121 1166260145 /nfs/dbraw/zinc/26/01/45/1166260145.db2.gz UBXUJDAMUBNCFK-JTQLQIEISA-N 1 0 236.702 2.295 20 30 BEEDRO C=CCN1CC[NH+](CCCC(C)C)CC1 ZINC001208735263 969224493 /nfs/dbraw/zinc/22/44/93/969224493.db2.gz JZSXYJARCVINTN-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO CC#CC[NH2+]CCCC[C@H](C)NC(=O)CCC ZINC001168821136 969224550 /nfs/dbraw/zinc/22/45/50/969224550.db2.gz LJZODXREVWNYDX-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1CC ZINC001698864009 1166293943 /nfs/dbraw/zinc/29/39/43/1166293943.db2.gz PXKZRGVAJPLILK-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC001253586256 969267961 /nfs/dbraw/zinc/26/79/61/969267961.db2.gz KJJYCNDOGILEHW-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC001253597821 969288889 /nfs/dbraw/zinc/28/88/89/969288889.db2.gz JVUMPEPULYCKAF-QWHCGFSZSA-N 1 0 205.301 2.274 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001253604564 969301369 /nfs/dbraw/zinc/30/13/69/969301369.db2.gz KPUFPZIKTNSILR-GFCCVEGCSA-N 1 0 241.281 2.336 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1 ZINC001253606898 969306402 /nfs/dbraw/zinc/30/64/02/969306402.db2.gz NYDRPEHGKSYBAB-LBPRGKRZSA-N 1 0 235.327 2.067 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)CC(C)(F)F ZINC001267215319 1166325535 /nfs/dbraw/zinc/32/55/35/1166325535.db2.gz JLZIKTCGGIAAHR-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCN(CC[N@@H+]1CCC[C@H]1C)C(=O)OCC ZINC001209014056 969318679 /nfs/dbraw/zinc/31/86/79/969318679.db2.gz AFPIAOGDLIYVSU-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)CC1(C)CC1 ZINC000693727666 1166344517 /nfs/dbraw/zinc/34/45/17/1166344517.db2.gz UZWZGDPUFDSLAV-AWEZNQCLSA-N 1 0 244.338 2.324 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)C1=CCCC1 ZINC001267238727 1166350109 /nfs/dbraw/zinc/35/01/09/1166350109.db2.gz MJSQISFUWNREGS-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CCCC[NH+]1CCC(OC(=O)NCC)CC1 ZINC001209162926 969363614 /nfs/dbraw/zinc/36/36/14/969363614.db2.gz OUQDWRTUOYSDKN-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](N(C)C(C)C)C1 ZINC001209163259 969366128 /nfs/dbraw/zinc/36/61/28/969366128.db2.gz AELCBEPEJZKZCU-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCCCN1CC([NH+]2CCCC2)C1 ZINC001209203236 969388760 /nfs/dbraw/zinc/38/87/60/969388760.db2.gz VMBSIIUTLWVTHQ-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001209201762 969389072 /nfs/dbraw/zinc/38/90/72/969389072.db2.gz QXLRAVGTITVZFP-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCCN1CCC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC001209204820 969390574 /nfs/dbraw/zinc/39/05/74/969390574.db2.gz KEKQTGSILWOAAD-KGLIPLIRSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001209207414 969393716 /nfs/dbraw/zinc/39/37/16/969393716.db2.gz XYLQLDRAUPQZQA-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C#Cc1cccc(Nc2cc[nH+]c(N)c2)c1 ZINC000227685902 1166387783 /nfs/dbraw/zinc/38/77/83/1166387783.db2.gz PFKRPDMCDXMXAG-UHFFFAOYSA-N 1 0 209.252 2.389 20 30 BEEDRO CCC(C#N)(CC)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119542 969412594 /nfs/dbraw/zinc/41/25/94/969412594.db2.gz UAULEBLFGMQLKJ-XYYAHUGASA-N 1 0 235.375 2.284 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H]2CCCC[C@H]2C1 ZINC000250518493 1166404977 /nfs/dbraw/zinc/40/49/77/1166404977.db2.gz JCFANXZJSIJZJX-KGLIPLIRSA-N 1 0 222.376 2.274 20 30 BEEDRO C[C@@H]1CC(=O)C=C(c2c[nH+]ccc2N)C1 ZINC000306648510 1166409844 /nfs/dbraw/zinc/40/98/44/1166409844.db2.gz DTQYBOMLYYTTSC-QMMMGPOBSA-N 1 0 202.257 2.046 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000252811135 1166410078 /nfs/dbraw/zinc/41/00/78/1166410078.db2.gz OCDMZUBZSNBZMI-FRRDWIJNSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCCCCCC[N@H+]1CC(=O)N(C)C[C@@H]1C ZINC001209440503 969514592 /nfs/dbraw/zinc/51/45/92/969514592.db2.gz LHHZZTZFRHPCCW-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO N#CC1CC([NH2+]C2CCC(F)(F)CC2)C1 ZINC001254214797 969539464 /nfs/dbraw/zinc/53/94/64/969539464.db2.gz AVDJZKNRLJMZGE-UHFFFAOYSA-N 1 0 214.259 2.456 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCCC#N)C(C)(C)O ZINC000308842987 1166433738 /nfs/dbraw/zinc/43/37/38/1166433738.db2.gz KTXYRLPKKSWNKS-NSHDSACASA-N 1 0 212.337 2.065 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CC1Cc2ccccc2C1 ZINC000584323647 1166434141 /nfs/dbraw/zinc/43/41/41/1166434141.db2.gz YMEAYCJJXJZVBN-ZDUSSCGKSA-N 1 0 245.366 2.176 20 30 BEEDRO N#C[C@H](O[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217860168 1166482678 /nfs/dbraw/zinc/48/26/78/1166482678.db2.gz OSQJGRCZZNDDJC-OLZOCXBDSA-N 1 0 216.284 2.020 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)CCC ZINC001752056298 1166494592 /nfs/dbraw/zinc/49/45/92/1166494592.db2.gz PPYMMVSZWUANNR-AWEZNQCLSA-N 1 0 240.391 2.437 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cc1 ZINC000724836394 1166502154 /nfs/dbraw/zinc/50/21/54/1166502154.db2.gz YSGXXKYFIBXRMV-GJZGRUSLSA-N 1 0 242.322 2.169 20 30 BEEDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254643397 969759258 /nfs/dbraw/zinc/75/92/58/969759258.db2.gz NSEYDRAVLBFWPE-XUXIUFHCSA-N 1 0 235.375 2.141 20 30 BEEDRO CCCOCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254641922 969756396 /nfs/dbraw/zinc/75/63/96/969756396.db2.gz DDMQNTXDVXYLRW-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001254665305 969773983 /nfs/dbraw/zinc/77/39/83/969773983.db2.gz MRFUYAZVWCKZTP-HHHUOAJASA-N 1 0 208.280 2.111 20 30 BEEDRO C=CC[N@@H+]([C@H]1CCCN(C(C)=O)C1)C(C)(C)C ZINC001169630763 969794527 /nfs/dbraw/zinc/79/45/27/969794527.db2.gz QUWBQRUMLJLDKS-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C=C(C)C ZINC001481023320 1166536567 /nfs/dbraw/zinc/53/65/67/1166536567.db2.gz CTRVMANSNYXNSK-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@H]1CC(C[NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000724867448 1166536011 /nfs/dbraw/zinc/53/60/11/1166536011.db2.gz JSVWFIVXQZHHMP-RYUDHWBXSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCNC(=O)C[NH2+]CC1CCC(C)(C)CC1 ZINC000393850985 1166541852 /nfs/dbraw/zinc/54/18/52/1166541852.db2.gz RQCPBBYELCJOFQ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[C@H](CC#N)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001255155465 969950574 /nfs/dbraw/zinc/95/05/74/969950574.db2.gz QPDHMXJKMSQZSY-ZIAGYGMSSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001255168050 969980228 /nfs/dbraw/zinc/98/02/28/969980228.db2.gz MFGGNVMYIBSSSI-WUHRBBMRSA-N 1 0 222.332 2.178 20 30 BEEDRO CC[C@H](CC#N)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001255171789 969982743 /nfs/dbraw/zinc/98/27/43/969982743.db2.gz AVGMMHBXEMZTSO-YIYPIFLZSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001255173339 969983275 /nfs/dbraw/zinc/98/32/75/969983275.db2.gz KSJVHHPYCIUGRQ-VHSXEESVSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)/C(C)=C/C)CC1 ZINC001112757276 970170288 /nfs/dbraw/zinc/17/02/88/970170288.db2.gz KKISTSWRWJAINE-WLRTZDKTSA-N 1 0 236.359 2.063 20 30 BEEDRO CC[C@H](COC)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787487 1166684369 /nfs/dbraw/zinc/68/43/69/1166684369.db2.gz NROGRZFNEVAIDO-GHMZBOCLSA-N 1 0 212.337 2.329 20 30 BEEDRO CC1(C)C[C@H]([NH+]2CCC(S)CC2)CCO1 ZINC001255547997 970317516 /nfs/dbraw/zinc/31/75/16/970317516.db2.gz YUTRTRFDLJOYSC-SNVBAGLBSA-N 1 0 229.389 2.338 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000695811955 1166689360 /nfs/dbraw/zinc/68/93/60/1166689360.db2.gz LBDJMPCLOHIRAO-RTXFEEFZSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1 ZINC001267949004 1166697938 /nfs/dbraw/zinc/69/79/38/1166697938.db2.gz CEWAOIFSMNWZAA-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@H](CC(F)(F)F)NC(=[NH2+])c1ccc(F)cn1 ZINC001255635504 970408657 /nfs/dbraw/zinc/40/86/57/970408657.db2.gz BFQLGGHHUGOUTO-ZCFIWIBFSA-N 1 0 249.211 2.267 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]C1CC(C#N)C1 ZINC001255645065 970422466 /nfs/dbraw/zinc/42/24/66/970422466.db2.gz ZPZPMYLPWDTQME-JECWYVHBSA-N 1 0 206.211 2.219 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@](C)(O)CC1 ZINC000686681916 1166747589 /nfs/dbraw/zinc/74/75/89/1166747589.db2.gz GJPQHVGUELRROA-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NC(C)=CC(C)=O ZINC001255943245 970579205 /nfs/dbraw/zinc/57/92/05/970579205.db2.gz LAYNCGMOJFUDCO-JPQYHBGPSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)Cc1cccs1 ZINC000380174152 1166842082 /nfs/dbraw/zinc/84/20/82/1166842082.db2.gz IXQMGOKVJJASOZ-MNOVXSKESA-N 1 0 225.357 2.470 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C[C@@H](C)CC ZINC001716133288 1166842759 /nfs/dbraw/zinc/84/27/59/1166842759.db2.gz AAFHHAMTZGUXOF-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC000238373178 1166858186 /nfs/dbraw/zinc/85/81/86/1166858186.db2.gz ZIGBWOLVJACHQL-NSHDSACASA-N 1 0 205.301 2.402 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C[C@H](C)CC)C1CC1 ZINC001752461116 1166858248 /nfs/dbraw/zinc/85/82/48/1166858248.db2.gz XHNCMROEVHQKHZ-YPMHNXCESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)C[C@H](C)CC)C1CC1 ZINC001752461107 1166858472 /nfs/dbraw/zinc/85/84/72/1166858472.db2.gz XHNCMROEVHQKHZ-DGCLKSJQSA-N 1 0 238.375 2.093 20 30 BEEDRO CCC[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000396903605 1166859062 /nfs/dbraw/zinc/85/90/62/1166859062.db2.gz CWNCULZWHGTWFB-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO CCC[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000396903604 1166859081 /nfs/dbraw/zinc/85/90/81/1166859081.db2.gz CWNCULZWHGTWFB-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000310254150 1166871767 /nfs/dbraw/zinc/87/17/67/1166871767.db2.gz ZIENSQYYSRCFAA-RYUDHWBXSA-N 1 0 233.315 2.003 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(OC)OC ZINC000692220511 1166871998 /nfs/dbraw/zinc/87/19/98/1166871998.db2.gz QXCULYOBNKQXHX-VXGBXAGGSA-N 1 0 227.348 2.330 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(OC)OC ZINC000692220504 1166873622 /nfs/dbraw/zinc/87/36/22/1166873622.db2.gz QXCULYOBNKQXHX-NEPJUHHUSA-N 1 0 227.348 2.330 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)(F)F ZINC001282183136 1166883509 /nfs/dbraw/zinc/88/35/09/1166883509.db2.gz GNUXEFBBVSHFAO-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167898221 1166898950 /nfs/dbraw/zinc/89/89/50/1166898950.db2.gz PWHLUUCPJYPWPS-FICVDOATSA-N 1 0 226.323 2.489 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)/C(C)=C\C ZINC001716391060 1166924591 /nfs/dbraw/zinc/92/45/91/1166924591.db2.gz UFVANWJFOJJXPD-HGIZFUKPSA-N 1 0 238.375 2.402 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2C#N)C1 ZINC000304518735 1166929040 /nfs/dbraw/zinc/92/90/40/1166929040.db2.gz KJJIJLXGCQJISX-LLVKDONJSA-N 1 0 236.702 2.295 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]C[C@H](F)CC ZINC001752876893 1166948813 /nfs/dbraw/zinc/94/88/13/1166948813.db2.gz IPDZFZQRLVLHDJ-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H]1CCO ZINC000686678219 1166950231 /nfs/dbraw/zinc/95/02/31/1166950231.db2.gz PMCKJKVZBRAGCP-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401924261 970750845 /nfs/dbraw/zinc/75/08/45/970750845.db2.gz FCXGILHXVCSFTJ-NSHDSACASA-N 1 0 205.305 2.343 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1CCc2ncsc2C1 ZINC001173120108 975028222 /nfs/dbraw/zinc/02/82/22/975028222.db2.gz CYQZZASHNHVRGC-VIFPVBQESA-N 1 0 220.341 2.002 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)CCCC)C1 ZINC001269214614 1167000155 /nfs/dbraw/zinc/00/01/55/1167000155.db2.gz BWVKWSLRJQNLSA-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCOC1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC001173308612 975218016 /nfs/dbraw/zinc/21/80/16/975218016.db2.gz LCJHYNMZRKPOTD-RUXDESIVSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC001173311090 975220958 /nfs/dbraw/zinc/22/09/58/975220958.db2.gz DDIIQCLPAKVUBZ-MOKVOYLWSA-N 1 0 239.359 2.269 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000894419464 1167070917 /nfs/dbraw/zinc/07/09/17/1167070917.db2.gz FISJVBWWEHWJFR-GDBMZVCRSA-N 1 0 243.350 2.300 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2C[C@H](OC)C2)CC1 ZINC001173313883 975262422 /nfs/dbraw/zinc/26/24/22/975262422.db2.gz AXGVTHQLNWQVJH-VKNLNRKYSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H](C)CC#N)CC1 ZINC001173316681 975304000 /nfs/dbraw/zinc/30/40/00/975304000.db2.gz LKXRPNYSUOOKKV-HIFPTAJRSA-N 1 0 222.332 2.392 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000122720026 1167114115 /nfs/dbraw/zinc/11/41/15/1167114115.db2.gz VULHFUOKSUJCBM-AWEZNQCLSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCCC ZINC001270896798 1167153901 /nfs/dbraw/zinc/15/39/01/1167153901.db2.gz WFASRIHWBGOULC-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+]CCCC#N ZINC001173440877 975375104 /nfs/dbraw/zinc/37/51/04/975375104.db2.gz JIBTVAGNRGTVHU-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173442065 975378646 /nfs/dbraw/zinc/37/86/46/975378646.db2.gz ZEQTYKFJEVCVDJ-NWDGAFQWSA-N 1 0 240.347 2.390 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CC2CC(C)C2)C1 ZINC001333308103 975611736 /nfs/dbraw/zinc/61/17/36/975611736.db2.gz MPAIIKIVXUKIBT-WXRRBKDZSA-N 1 0 209.333 2.309 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1ccncc1 ZINC000309011252 1167239756 /nfs/dbraw/zinc/23/97/56/1167239756.db2.gz RWTZEPZXDIMEPS-LBPRGKRZSA-N 1 0 202.301 2.016 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(F)cc1 ZINC000309028775 1167242116 /nfs/dbraw/zinc/24/21/16/1167242116.db2.gz CICQLBUJBYVLPH-GFCCVEGCSA-N 1 0 209.264 2.116 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C[S@](C)=O ZINC000309213650 1167268930 /nfs/dbraw/zinc/26/89/30/1167268930.db2.gz TYJJKFLAZURGLJ-XUJVJEKNSA-N 1 0 231.405 2.478 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H](C)CCCC ZINC001126562503 1167280162 /nfs/dbraw/zinc/28/01/62/1167280162.db2.gz XKGAYSJDUTXFEU-SNVBAGLBSA-N 1 0 246.782 2.271 20 30 BEEDRO N#Cc1cc(Cl)cc(O[C@H]2CCC[NH2+]C2)c1 ZINC000309366498 1167296953 /nfs/dbraw/zinc/29/69/53/1167296953.db2.gz ALSWSOBCJGFPHL-NSHDSACASA-N 1 0 236.702 2.342 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)CCCC ZINC001126573283 1167324052 /nfs/dbraw/zinc/32/40/52/1167324052.db2.gz JAUDCVUFFADOEJ-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(C)ccc1F ZINC000309654010 1167335514 /nfs/dbraw/zinc/33/55/14/1167335514.db2.gz PBMOWRJZYUKUDF-LBPRGKRZSA-N 1 0 223.291 2.425 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC(C)(C)C1CC1 ZINC001126720916 1167437844 /nfs/dbraw/zinc/43/78/44/1167437844.db2.gz GXXCRZNKYQGPQL-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230798060 977333824 /nfs/dbraw/zinc/33/38/24/977333824.db2.gz NCLSILWJDPBLGH-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC000225399370 1167443608 /nfs/dbraw/zinc/44/36/08/1167443608.db2.gz PKDDFWXVRCXRNR-OLZOCXBDSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)CC ZINC001230812679 977337249 /nfs/dbraw/zinc/33/72/49/977337249.db2.gz YJUCUZMJZGIKAT-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1cccc(Cl)c1C#N ZINC000168353050 1167450079 /nfs/dbraw/zinc/45/00/79/1167450079.db2.gz KZRNWKBRYQLVTK-SECBINFHSA-N 1 0 237.734 2.479 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)CC(C)C ZINC001231319425 977569226 /nfs/dbraw/zinc/56/92/26/977569226.db2.gz KLNWLHUPDWEKEM-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccccc1O ZINC000381197648 1167535048 /nfs/dbraw/zinc/53/50/48/1167535048.db2.gz BLNLRBKONIUGPN-MNOVXSKESA-N 1 0 221.300 2.244 20 30 BEEDRO C#Cc1cccc(C[N@H+](CC)CCOC)c1 ZINC001231655826 977665058 /nfs/dbraw/zinc/66/50/58/977665058.db2.gz FNPVAFOBFUDFGF-UHFFFAOYSA-N 1 0 217.312 2.136 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000379482666 1167559203 /nfs/dbraw/zinc/55/92/03/1167559203.db2.gz CNSBBKSJDRNTKP-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO COc1ccc(C[NH2+]CC2CSC2)cc1C#N ZINC000697963540 1167572961 /nfs/dbraw/zinc/57/29/61/1167572961.db2.gz GXOVUROLZCKIKR-UHFFFAOYSA-N 1 0 248.351 2.019 20 30 BEEDRO C=C[C@H](C#CC(C)(C)C)OCC[N+](C)(C)C ZINC001224776299 1167600407 /nfs/dbraw/zinc/60/04/07/1167600407.db2.gz UUSFKDSBLKRJGI-CYBMUJFWSA-N 1 0 224.368 2.313 20 30 BEEDRO Cc1nc(N)ccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001232341171 1167682478 /nfs/dbraw/zinc/68/24/78/1167682478.db2.gz MYZQOVIBCCQDHX-GFCCVEGCSA-N 1 0 244.342 2.098 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@@H](C(C)(C)C)CC1 ZINC001176995352 978268771 /nfs/dbraw/zinc/26/87/71/978268771.db2.gz KKRAMUQFIXQILO-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC)[C@H]1C ZINC001177972941 978492065 /nfs/dbraw/zinc/49/20/65/978492065.db2.gz CFMUAXNHERYXLJ-AGIUHOORSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)[C@H](C)CC ZINC001234138165 978782303 /nfs/dbraw/zinc/78/23/03/978782303.db2.gz ZCYZEVJRTXASPF-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@H](CS)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234425983 978833609 /nfs/dbraw/zinc/83/36/09/978833609.db2.gz ZLXBJYJWUYITSQ-SNVBAGLBSA-N 1 0 237.368 2.372 20 30 BEEDRO C=C(C)C[NH2+]C[C@]1(C)CN(C(=O)CC)C[C@H]1C ZINC001180348247 978864456 /nfs/dbraw/zinc/86/44/56/978864456.db2.gz DRRJXGPAQMEDPR-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001181387230 979073578 /nfs/dbraw/zinc/07/35/78/979073578.db2.gz ZHJSUBPCHRUHKM-MVXISAMASA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001181501603 979123394 /nfs/dbraw/zinc/12/33/94/979123394.db2.gz JWGQXLCYUDJKJU-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCCN(C)[C@H]1CC[NH2+]C1 ZINC001235734779 979138490 /nfs/dbraw/zinc/13/84/90/979138490.db2.gz HENGCEDOQRCMGS-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CC[NH2+]CCN(CC)Cc1ccc(F)cc1 ZINC001235962234 979236966 /nfs/dbraw/zinc/23/69/66/979236966.db2.gz JBUCDWWLINRRDC-UHFFFAOYSA-N 1 0 236.334 2.423 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001341153810 979254368 /nfs/dbraw/zinc/25/43/68/979254368.db2.gz HPDMANJGDVCIDO-DTWKUNHWSA-N 1 0 223.238 2.214 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001341377146 979363875 /nfs/dbraw/zinc/36/38/75/979363875.db2.gz URZXPLNHMAHAJG-NXEZZACHSA-N 1 0 249.276 2.440 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cncc(C)c1 ZINC001341600330 979486044 /nfs/dbraw/zinc/48/60/44/979486044.db2.gz PKTZFODXTSRJKY-GFCCVEGCSA-N 1 0 233.315 2.012 20 30 BEEDRO C=CCCCC[N@H+]1C2CCC1(CO)CC2 ZINC001342001995 979616976 /nfs/dbraw/zinc/61/69/76/979616976.db2.gz ZOBUXMOSEQUEEJ-UHFFFAOYSA-N 1 0 209.333 2.332 20 30 BEEDRO CCCCN(O)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC001649061592 1168291439 /nfs/dbraw/zinc/29/14/39/1168291439.db2.gz SGSJLCNBJLEYAB-UTUOFQBUSA-N 1 0 242.363 2.266 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085325376 1168332791 /nfs/dbraw/zinc/33/27/91/1168332791.db2.gz IAMGZIBJLOCMED-ZBEGNZNMSA-N 1 0 237.368 2.478 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC)C1 ZINC001734105059 1168348648 /nfs/dbraw/zinc/34/86/48/1168348648.db2.gz ABYPWEDBJLTUIU-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(CCC)C(=O)CC)C1 ZINC001691842771 1168352565 /nfs/dbraw/zinc/35/25/65/1168352565.db2.gz SWNASKJUKWXHMV-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001485876146 1168355843 /nfs/dbraw/zinc/35/58/43/1168355843.db2.gz DLPZXTRRKABISH-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCN(C(=O)CC)C[C@H]1C ZINC001183662811 979868804 /nfs/dbraw/zinc/86/88/04/979868804.db2.gz LYBRFLXAPAMYAB-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc(COC)c1 ZINC001342734137 979880724 /nfs/dbraw/zinc/88/07/24/979880724.db2.gz SBZSUSSPZQDPSH-CQSZACIVSA-N 1 0 235.327 2.124 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)CCCC)C1 ZINC001691691248 1168426800 /nfs/dbraw/zinc/42/68/00/1168426800.db2.gz VYIDACHSFKUQOY-BETUJISGSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1cc(C#N)cnc1C1=CCC[NH2+]CC1 ZINC001238934710 980372071 /nfs/dbraw/zinc/37/20/71/980372071.db2.gz CSIOCRHQXOQPKI-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO CCCCCCCCCNC(=S)NCC[NH3+] ZINC001239351311 980545553 /nfs/dbraw/zinc/54/55/53/980545553.db2.gz IOCBWHYDCMSWRD-UHFFFAOYSA-N 1 0 245.436 2.160 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C[NH2+]CC(C)C ZINC001345876766 980701690 /nfs/dbraw/zinc/70/16/90/980701690.db2.gz ZYNGYHAYNIKOSU-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1(C)CCCC1 ZINC001132010143 1168556444 /nfs/dbraw/zinc/55/64/44/1168556444.db2.gz MPGIYLZZFLYQLP-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=C)C ZINC001133884884 1168582701 /nfs/dbraw/zinc/58/27/01/1168582701.db2.gz UVGIMNACMUJYHQ-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC(=C)C ZINC001134481091 1168591269 /nfs/dbraw/zinc/59/12/69/1168591269.db2.gz RYKQOCOYGYXGIX-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCF ZINC001135358209 1168602426 /nfs/dbraw/zinc/60/24/26/1168602426.db2.gz OOTMMABDZUCUSK-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)[C@H](C)CC ZINC001135869015 1168611246 /nfs/dbraw/zinc/61/12/46/1168611246.db2.gz ZZVOFBVPORTMCB-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCCCC23CC3)c1 ZINC001144083695 1168646162 /nfs/dbraw/zinc/64/61/62/1168646162.db2.gz PAJHGCSLOKFEAJ-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171184370 1168651474 /nfs/dbraw/zinc/65/14/74/1168651474.db2.gz MAVGMMDSHJRBNH-LLVKDONJSA-N 1 0 200.285 2.265 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000716938303 981427941 /nfs/dbraw/zinc/42/79/41/981427941.db2.gz XLEPNKDIYOHCQI-HIFRSBDPSA-N 1 0 231.339 2.418 20 30 BEEDRO C[NH+](C)CCCNc1cc(F)ccc1C#N ZINC001649264432 1168671084 /nfs/dbraw/zinc/67/10/84/1168671084.db2.gz JHRNNBRHWQZSTG-UHFFFAOYSA-N 1 0 221.279 2.061 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ccncn2)CC1 ZINC001173328399 1168685652 /nfs/dbraw/zinc/68/56/52/1168685652.db2.gz ZMNZMQGKOGQELR-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO CCCCCCCOC(=O)NCC1C[NH+](C)C1 ZINC001194016076 981536116 /nfs/dbraw/zinc/53/61/16/981536116.db2.gz SUUFJMZJCWRKCE-UHFFFAOYSA-N 1 0 242.363 2.245 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCCCCC#N)C2 ZINC001205656437 981627865 /nfs/dbraw/zinc/62/78/65/981627865.db2.gz VUOMIAZWIXMTFM-ITGUQSILSA-N 1 0 222.332 2.322 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@@H](C)C1CC1 ZINC001177047422 1168705428 /nfs/dbraw/zinc/70/54/28/1168705428.db2.gz PHEPESMVJAZJKL-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(CC)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC001352274360 982505342 /nfs/dbraw/zinc/50/53/42/982505342.db2.gz ZYYJCCAAZPNYBW-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[NH2+]C1(CC)CCN(C(=O)C(C)C)CC1 ZINC001273736297 982517658 /nfs/dbraw/zinc/51/76/58/982517658.db2.gz QRWZCEIRYOCJFB-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](C)CCCCCC ZINC001252487967 1168874370 /nfs/dbraw/zinc/87/43/70/1168874370.db2.gz CRRUFKHEQBNZOM-KBPBESRZSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C)CCCCCC ZINC001252487970 1168874378 /nfs/dbraw/zinc/87/43/78/1168874378.db2.gz CRRUFKHEQBNZOM-ZIAGYGMSSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C)CCCCCC ZINC001252487968 1168874396 /nfs/dbraw/zinc/87/43/96/1168874396.db2.gz CRRUFKHEQBNZOM-KGLIPLIRSA-N 1 0 243.391 2.498 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001252572758 1168888479 /nfs/dbraw/zinc/88/84/79/1168888479.db2.gz UONJSFCUWMLDCG-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC001252573446 1168886709 /nfs/dbraw/zinc/88/67/09/1168886709.db2.gz DVDUAZNRNMSLDD-MWLCHTKSSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1 ZINC001252573047 1168887771 /nfs/dbraw/zinc/88/77/71/1168887771.db2.gz XTBRMHJICYYOLF-DGCLKSJQSA-N 1 0 205.301 2.274 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1Cc2ccccc2C1 ZINC001252587597 1168891314 /nfs/dbraw/zinc/89/13/14/1168891314.db2.gz UEKOKKVSEKQNAX-OAHLLOKOSA-N 1 0 231.339 2.071 20 30 BEEDRO C#CCC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001353297455 982824179 /nfs/dbraw/zinc/82/41/79/982824179.db2.gz HEQXTRMPQFLMNP-LBPRGKRZSA-N 1 0 241.693 2.125 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC001199124075 982888820 /nfs/dbraw/zinc/88/88/20/982888820.db2.gz UAYWPOMRJOHHIM-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC001353688840 982969069 /nfs/dbraw/zinc/96/90/69/982969069.db2.gz NHZYBLQQRKWGGV-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H](C)C1 ZINC001353833793 983019664 /nfs/dbraw/zinc/01/96/64/983019664.db2.gz UAYHEADSAVXMOH-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C[C@H](C)O ZINC001251971302 983059861 /nfs/dbraw/zinc/05/98/61/983059861.db2.gz ADDACXGCGHAGDF-RYUDHWBXSA-N 1 0 235.327 2.283 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCCn2ccnc2C)C1 ZINC000886362826 1168980898 /nfs/dbraw/zinc/98/08/98/1168980898.db2.gz PEQCTGXHURDQFW-HNNXBMFYSA-N 1 0 245.370 2.317 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000886363059 1168981819 /nfs/dbraw/zinc/98/18/19/1168981819.db2.gz YUEKRENOYSESJH-LLVKDONJSA-N 1 0 230.311 2.397 20 30 BEEDRO C=C(C)C[NH2+]C1(C)CCN(C(=O)CCC)CC1 ZINC001274307207 1169026475 /nfs/dbraw/zinc/02/64/75/1169026475.db2.gz OSZATTPXMWCHSE-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[C@H](CO)[NH2+]CCC1CCCCCC1 ZINC000717831245 1169031873 /nfs/dbraw/zinc/03/18/73/1169031873.db2.gz RPQCLWTYNATOPT-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC(C)C)C[C@H]1C ZINC001274587591 1169031888 /nfs/dbraw/zinc/03/18/88/1169031888.db2.gz CCJJZKLEUCVCQA-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)/C=C(/C)CC ZINC001274739853 1169036471 /nfs/dbraw/zinc/03/64/71/1169036471.db2.gz IROYHMBODXBEIF-KIWPFMIBSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]CC1CCC1 ZINC001275267683 1169044950 /nfs/dbraw/zinc/04/49/50/1169044950.db2.gz SZVYJXSGKZZOPY-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001275782213 1169055621 /nfs/dbraw/zinc/05/56/21/1169055621.db2.gz OXXIJXBWJAUZOP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCO[C@@H]1CO[C@@]2(C1)CCC[N@@H+](CCC)C2 ZINC001201641302 983396257 /nfs/dbraw/zinc/39/62/57/983396257.db2.gz KFBLUQUWEZETQX-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(F)cc1C)CC1CC1 ZINC001355225276 983450714 /nfs/dbraw/zinc/45/07/14/983450714.db2.gz CTJFIKZZQZDIMQ-UHFFFAOYSA-N 1 0 232.302 2.374 20 30 BEEDRO CC[C@@H](COCC1CC1)[NH2+]C[C@@H](C#N)CCC#N ZINC001356619011 983642729 /nfs/dbraw/zinc/64/27/29/983642729.db2.gz NZBZBNHIYHZPAJ-KGLIPLIRSA-N 1 0 249.358 2.225 20 30 BEEDRO C#CCCCCC[NH2+][C@H](COC)C(C)C ZINC000686677202 1169109328 /nfs/dbraw/zinc/10/93/28/1169109328.db2.gz WDCYMUFRRSDTGZ-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000686677769 1169108755 /nfs/dbraw/zinc/10/87/55/1169108755.db2.gz KLLIIYOKMFTIKN-CQSZACIVSA-N 1 0 222.376 2.206 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001488961369 983702918 /nfs/dbraw/zinc/70/29/18/983702918.db2.gz IMIAROYCENGRFR-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1c[nH+]ccc1NC1=CC[C@H](C#N)CC1 ZINC001212855222 1169117843 /nfs/dbraw/zinc/11/78/43/1169117843.db2.gz TUYXSNZIGFCKIJ-NSHDSACASA-N 1 0 213.284 2.431 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CNC(=O)CCC)C1CC1 ZINC001490626541 983734537 /nfs/dbraw/zinc/73/45/37/983734537.db2.gz JPGFVVNXDXVIOI-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000691799762 983768612 /nfs/dbraw/zinc/76/86/12/983768612.db2.gz UNUQOSGWBDSTPJ-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](CC)Cc1ccccc1 ZINC001252541719 983807764 /nfs/dbraw/zinc/80/77/64/983807764.db2.gz RROYMHLBZROUEQ-AWEZNQCLSA-N 1 0 219.328 2.446 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1c(F)cc(F)cc1F ZINC001252576558 983831154 /nfs/dbraw/zinc/83/11/54/983831154.db2.gz MKSLFMWFEMVKJZ-GFCCVEGCSA-N 1 0 245.244 2.131 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1(C)CC(F)(F)C1 ZINC001252615988 983850516 /nfs/dbraw/zinc/85/05/16/983850516.db2.gz JTPLTVHZOHJRCU-SNVBAGLBSA-N 1 0 233.302 2.339 20 30 BEEDRO C#CCC1(O)CC[NH+](CCC2CCCC2)CC1 ZINC000880478985 983995469 /nfs/dbraw/zinc/99/54/69/983995469.db2.gz JJBNTFMNOOYLIZ-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO CC(C)(C)CC[C@H]([NH3+])CN(CC#N)C1CC1 ZINC001575131360 984125657 /nfs/dbraw/zinc/12/56/57/984125657.db2.gz UASYDXSYGYFADU-NSHDSACASA-N 1 0 223.364 2.128 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001254635220 1169230957 /nfs/dbraw/zinc/23/09/57/1169230957.db2.gz ONMDORIQZFAKMZ-KKOKHZNYSA-N 1 0 210.296 2.406 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172429516 974709594 /nfs/dbraw/zinc/70/95/94/974709594.db2.gz ZXOIGFCZZFMZMP-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CCCC1CC1 ZINC001331528882 974751238 /nfs/dbraw/zinc/75/12/38/974751238.db2.gz GRXZIGMRGZBKCU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)COCC[C@H](C)[NH+]1CC(CC#N)C1 ZINC001172470210 974766746 /nfs/dbraw/zinc/76/67/46/974766746.db2.gz XPBCTFMKDLTGID-LBPRGKRZSA-N 1 0 224.348 2.283 20 30 BEEDRO CC(C)COCC[C@H](C)[N@@H+]1CC[C@H](C#N)C1 ZINC001172475481 974768489 /nfs/dbraw/zinc/76/84/89/974768489.db2.gz JWOOQHNQPBRXIW-QWHCGFSZSA-N 1 0 224.348 2.283 20 30 BEEDRO CC(C)COCC[C@@H](C)[N@@H+]1CC[C@H](C#N)C1 ZINC001172475479 974771006 /nfs/dbraw/zinc/77/10/06/974771006.db2.gz JWOOQHNQPBRXIW-CHWSQXEVSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccncc1 ZINC001172475751 974772673 /nfs/dbraw/zinc/77/26/73/974772673.db2.gz ASRRXSPJPQAWJF-NSHDSACASA-N 1 0 203.289 2.254 20 30 BEEDRO C[C@H]([NH3+])c1nccn1[C@@H](C)CCCC#N ZINC001172477264 974774229 /nfs/dbraw/zinc/77/42/29/974774229.db2.gz YBXBOISDRORDNI-UWVGGRQHSA-N 1 0 206.293 2.158 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCCCO1 ZINC001172479445 974778572 /nfs/dbraw/zinc/77/85/72/974778572.db2.gz LSWBQKWHTINAMJ-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO CCN1CCC([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172480337 974780148 /nfs/dbraw/zinc/78/01/48/974780148.db2.gz PCQQYUBVQWVYIN-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCOc1ccccn1 ZINC001172486931 974790720 /nfs/dbraw/zinc/79/07/20/974790720.db2.gz FGXVAGOFUMNDMA-LBPRGKRZSA-N 1 0 233.315 2.132 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH+]1CC(CC#N)C1 ZINC001172438909 974794759 /nfs/dbraw/zinc/79/47/59/974794759.db2.gz ARYWMLRIOLEAJD-LLVKDONJSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccnc1N(C)C ZINC001117748356 1169306587 /nfs/dbraw/zinc/30/65/87/1169306587.db2.gz XQIFVZCFNMPGAP-UHFFFAOYSA-N 1 0 219.332 2.203 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCOC(C)C ZINC001172443887 974805098 /nfs/dbraw/zinc/80/50/98/974805098.db2.gz SJZFSPCOJZETOP-NEPJUHHUSA-N 1 0 212.337 2.472 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001120583251 1169321521 /nfs/dbraw/zinc/32/15/21/1169321521.db2.gz OKKGEZGTCYRUMU-WBMJQRKESA-N 1 0 239.318 2.485 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)COc1cccc(CC)c1 ZINC000122729801 1169394418 /nfs/dbraw/zinc/39/44/18/1169394418.db2.gz HYMLTBZYMVADNW-CQSZACIVSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C\C ZINC001329008175 973425138 /nfs/dbraw/zinc/42/51/38/973425138.db2.gz LLYOKIAGJNGXNU-XZZRAGQBSA-N 1 0 244.766 2.188 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001752957890 1169439508 /nfs/dbraw/zinc/43/95/08/1169439508.db2.gz HFFNBCHYBOZPQW-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(C)C#CCNc1ccc2c(n1)CC[NH2+]C2 ZINC001160392644 1169441138 /nfs/dbraw/zinc/44/11/38/1169441138.db2.gz DKJOWGLKCOZYJX-UHFFFAOYSA-N 1 0 243.354 2.189 20 30 BEEDRO O/N=C/c1cccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162983167 1169452895 /nfs/dbraw/zinc/45/28/95/1169452895.db2.gz PVESQNHISMHSNN-ORDDCKFQSA-N 1 0 245.326 2.191 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC001256402892 970808377 /nfs/dbraw/zinc/80/83/77/970808377.db2.gz WJRPIQGUZHXHRG-ZIAGYGMSSA-N 1 0 241.375 2.060 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC000305922460 970812304 /nfs/dbraw/zinc/81/23/04/970812304.db2.gz MMOLBKMPAPAKGM-NSHDSACASA-N 1 0 232.331 2.047 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccn2)C1 ZINC001256420463 970827727 /nfs/dbraw/zinc/82/77/27/970827727.db2.gz BOLUBKXXGAQPSS-KBPBESRZSA-N 1 0 228.339 2.358 20 30 BEEDRO CCOC1CCC([NH+]2CC(CC#N)C2)CC1 ZINC001256435963 970836419 /nfs/dbraw/zinc/83/64/19/970836419.db2.gz BOJLVZNXKHODMA-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)CCCC)C(C)(C)C ZINC001278940860 970854204 /nfs/dbraw/zinc/85/42/04/970854204.db2.gz XPQRNVPJKLQMJY-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1ccc(F)cc1F ZINC001256514187 970856080 /nfs/dbraw/zinc/85/60/80/970856080.db2.gz PWJAHFSZMVBYQW-GFCCVEGCSA-N 1 0 241.281 2.034 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CC[C@@](C)(C#N)C2)CC1 ZINC001256576955 970868304 /nfs/dbraw/zinc/86/83/04/970868304.db2.gz WMSYXWJXFPQNSF-HNNXBMFYSA-N 1 0 249.402 2.485 20 30 BEEDRO CCC(C#N)(CC)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256621469 970887429 /nfs/dbraw/zinc/88/74/29/970887429.db2.gz UAULEBLFGMQLKJ-YHWZYXNKSA-N 1 0 235.375 2.284 20 30 BEEDRO COc1cccc2c1CC[C@@H]([NH2+]CCS)C2 ZINC001256632684 970898157 /nfs/dbraw/zinc/89/81/57/970898157.db2.gz KMQBTLPRMFEOFZ-LLVKDONJSA-N 1 0 237.368 2.072 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H]1C=CCCC1 ZINC001130154661 970939555 /nfs/dbraw/zinc/93/95/55/970939555.db2.gz XNGQJMLAYOCUJP-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001329474164 973791072 /nfs/dbraw/zinc/79/10/72/973791072.db2.gz ICUJYQJARRBNRN-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)Cc1ccncc1 ZINC001256727630 970947924 /nfs/dbraw/zinc/94/79/24/970947924.db2.gz ZLUCNLVVKLSFFA-OCCSQVGLSA-N 1 0 216.328 2.404 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)C(C)(C)C ZINC001130278091 970957876 /nfs/dbraw/zinc/95/78/76/970957876.db2.gz OTSNDBDXIGFONR-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C[N+](C)(C)CCCO[C@@H](C#N)c1ccccc1 ZINC001224622534 973805829 /nfs/dbraw/zinc/80/58/29/973805829.db2.gz HVTYZLUMFDRMQW-AWEZNQCLSA-N 1 0 233.335 2.364 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC001329521898 973810979 /nfs/dbraw/zinc/81/09/79/973810979.db2.gz LVFSZPMHCNNEAD-WCBMZHEXSA-N 1 0 219.275 2.211 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@](C)(F)CCCC ZINC001130467566 970977900 /nfs/dbraw/zinc/97/79/00/970977900.db2.gz KRLVZSCIBKUHJM-ZDUSSCGKSA-N 1 0 244.354 2.187 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256788058 970989068 /nfs/dbraw/zinc/98/90/68/970989068.db2.gz YWAVXMYCSNGWOX-KBPBESRZSA-N 1 0 215.296 2.130 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806167231 970992025 /nfs/dbraw/zinc/99/20/25/970992025.db2.gz ORLDJDFICKTIST-LBPRGKRZSA-N 1 0 236.363 2.430 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256818911 970994448 /nfs/dbraw/zinc/99/44/48/970994448.db2.gz BADCKPMQEKAHHJ-CABCVRRESA-N 1 0 229.323 2.472 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256903895 971019303 /nfs/dbraw/zinc/01/93/03/971019303.db2.gz FUFYSOJTFGCDRW-ZDUSSCGKSA-N 1 0 235.375 2.287 20 30 BEEDRO CN1CCCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001256953244 971026921 /nfs/dbraw/zinc/02/69/21/971026921.db2.gz HMWYRWRBPPSRLK-RUXDESIVSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CN1CCCC1)[NH2+]C1CCC(C#N)CC1 ZINC001256953654 971031347 /nfs/dbraw/zinc/03/13/47/971031347.db2.gz LEPVBONLKZNNBR-IYXRBSQSSA-N 1 0 235.375 2.143 20 30 BEEDRO CN1CCC[C@@](C)([NH2+]C2CCC(C#N)CC2)C1 ZINC001256962052 971028629 /nfs/dbraw/zinc/02/86/29/971028629.db2.gz BKGXUMQIXZAZOG-JXQTWKCFSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CC1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC001256954484 971029683 /nfs/dbraw/zinc/02/96/83/971029683.db2.gz IBBSCXDCZBPYKJ-UHFFFAOYSA-N 1 0 214.259 2.456 20 30 BEEDRO C[C@@]1(O)CC[C@@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256955438 971030442 /nfs/dbraw/zinc/03/04/42/971030442.db2.gz SYZSIFZNXJXUIS-XTWLIDDBSA-N 1 0 236.359 2.352 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccncc2F)CC1 ZINC001256954207 971032863 /nfs/dbraw/zinc/03/28/63/971032863.db2.gz ZXYKGFKANQHGAM-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CC[C@]1(C)O ZINC001256963370 971037817 /nfs/dbraw/zinc/03/78/17/971037817.db2.gz GSGKVZKAGCKKJY-RYSNWHEDSA-N 1 0 236.359 2.162 20 30 BEEDRO N#CC1CCC([NH2+]CCOc2ccncc2)CC1 ZINC001256964272 971035623 /nfs/dbraw/zinc/03/56/23/971035623.db2.gz YQSISPYHNVVRPN-UHFFFAOYSA-N 1 0 245.326 2.132 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2C[C@]23CCCOC3)CC1 ZINC001256963777 971036578 /nfs/dbraw/zinc/03/65/78/971036578.db2.gz OYAVUMUPQRNMGP-PQAZSJQKSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1C1CCC(C#N)CC1 ZINC001256965758 971041604 /nfs/dbraw/zinc/04/16/04/971041604.db2.gz ZOORODUDQYBOKX-ZIHBUVQPSA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256970076 971043008 /nfs/dbraw/zinc/04/30/08/971043008.db2.gz SONFXYNJCGDZDD-IYXRBSQSSA-N 1 0 216.328 2.414 20 30 BEEDRO O/N=C/c1ccc(C2=C[NH2+]CCC2)cc1F ZINC001243951706 971043524 /nfs/dbraw/zinc/04/35/24/971043524.db2.gz LGOCQEOMPCSKOB-OVCLIPMQSA-N 1 0 220.247 2.358 20 30 BEEDRO CCN(CC)[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256969895 971045784 /nfs/dbraw/zinc/04/57/84/971045784.db2.gz QVAHOBYHSQEHLN-YMAMQOFZSA-N 1 0 249.402 2.485 20 30 BEEDRO CNc1cc(Nc2ccc(C#N)nc2)cc[nH+]1 ZINC001216333225 971045980 /nfs/dbraw/zinc/04/59/80/971045980.db2.gz MDXXPCGCONCAAB-UHFFFAOYSA-N 1 0 225.255 2.134 20 30 BEEDRO C[N@@H+]1C[C@H]2CCCN(C3CCC(C#N)CC3)[C@@H]2C1 ZINC001256970080 971046929 /nfs/dbraw/zinc/04/69/29/971046929.db2.gz SRQAZVMQMADJQL-HXSCFSKGSA-N 1 0 247.386 2.095 20 30 BEEDRO C#Cc1ccc(Nc2cc[nH+]c(NC)c2)cn1 ZINC001216334163 971048063 /nfs/dbraw/zinc/04/80/63/971048063.db2.gz VPLIUZWAAYZOOZ-UHFFFAOYSA-N 1 0 224.267 2.243 20 30 BEEDRO CN1CCC[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971650 971048383 /nfs/dbraw/zinc/04/83/83/971048383.db2.gz KZYPBOYSTUOYBV-HXSCFSKGSA-N 1 0 247.386 2.095 20 30 BEEDRO CN(C1CC1)[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256971955 971048875 /nfs/dbraw/zinc/04/88/75/971048875.db2.gz PGOVJKSRZJLFLR-PESDSKBTSA-N 1 0 247.386 2.237 20 30 BEEDRO CNc1cc(Nc2cc(C)cnc2C#N)cc[nH+]1 ZINC001216333718 971049044 /nfs/dbraw/zinc/04/90/44/971049044.db2.gz DUFLHHWBRJYHGU-UHFFFAOYSA-N 1 0 239.282 2.442 20 30 BEEDRO C=CC[N@@H+](C)C1CCC(CC(=O)OC)CC1 ZINC001256986196 971055428 /nfs/dbraw/zinc/05/54/28/971055428.db2.gz FYUVZWXEGLPQPT-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CC[N@H+](C)CCCc1ccc(C#N)cc1 ZINC001208862669 1169509285 /nfs/dbraw/zinc/50/92/85/1169509285.db2.gz NGYIHEOIWVRDPI-UHFFFAOYSA-N 1 0 212.296 2.056 20 30 BEEDRO COc1cccc(C#N)c1NC1=CC[N@H+](C)CC1 ZINC001208856621 1169509836 /nfs/dbraw/zinc/50/98/36/1169509836.db2.gz HGMMNXRBDFPZLU-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(F)cc2C#N)CC1 ZINC001208857532 1169509919 /nfs/dbraw/zinc/50/99/19/1169509919.db2.gz LGWYCOBPJQICDH-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO COC[C@H]1CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208859931 1169511025 /nfs/dbraw/zinc/51/10/25/1169511025.db2.gz DQAWXBLCCYFQCY-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO C[N@H+](CCCc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC001208859081 1169510156 /nfs/dbraw/zinc/51/01/56/1169510156.db2.gz RCAAOGVFXDEXHL-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C#C[C@H](OC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001224707760 973877717 /nfs/dbraw/zinc/87/77/17/973877717.db2.gz SPLOZBVPGWAIQN-OLZOCXBDSA-N 1 0 209.333 2.145 20 30 BEEDRO Cn1cc[nH+]c1Nc1cccc(C#N)c1F ZINC001216412432 971081800 /nfs/dbraw/zinc/08/18/00/971081800.db2.gz CKWPLTBIPZBUAQ-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO COc1cccc(Nc2c[nH+]cn2C)c1C#N ZINC001210120594 1169518798 /nfs/dbraw/zinc/51/87/98/1169518798.db2.gz LRUDOXZYAOQTGA-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001257098513 971110315 /nfs/dbraw/zinc/11/03/15/971110315.db2.gz AVIBYBZWCCTEGS-CRWXNKLISA-N 1 0 221.344 2.288 20 30 BEEDRO C[C@@H]1CC([N@@H+]2CC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC001257106405 971118222 /nfs/dbraw/zinc/11/82/22/971118222.db2.gz PTWZUAHMRYZQCH-NQBHXWOUSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H]1CC([N@@H+]2CC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC001257106407 971121313 /nfs/dbraw/zinc/12/13/13/971121313.db2.gz PTWZUAHMRYZQCH-WZRBSPASSA-N 1 0 222.332 2.178 20 30 BEEDRO CC(C)[NH+]1CCC(NC2(C#N)CCCC2)CC1 ZINC001257207826 971127442 /nfs/dbraw/zinc/12/74/42/971127442.db2.gz MDZUETLEDFGWCN-UHFFFAOYSA-N 1 0 235.375 2.285 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC(C#N)CC2)CC1 ZINC001257212944 971130430 /nfs/dbraw/zinc/13/04/30/971130430.db2.gz FFEKHOGOEUBIBE-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171348914 973935606 /nfs/dbraw/zinc/93/56/06/973935606.db2.gz FZOURIBTRUQSHI-LBPRGKRZSA-N 1 0 235.277 2.435 20 30 BEEDRO COc1cccc(C#N)c1Nc1c[nH+]cn1C ZINC001211250984 1169531795 /nfs/dbraw/zinc/53/17/95/1169531795.db2.gz RZXMCMPWOXDJHY-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO N#Cc1cnccc1-c1cccc2c1C[NH2+]CC2 ZINC001244336516 971192979 /nfs/dbraw/zinc/19/29/79/971192979.db2.gz AMAHKTDACTXFLA-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405104784 971196575 /nfs/dbraw/zinc/19/65/75/971196575.db2.gz GHJXVNHQHIRSLU-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171391863 973999634 /nfs/dbraw/zinc/99/96/34/973999634.db2.gz HPFIAXZPIUVXAB-NSHDSACASA-N 1 0 218.275 2.186 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](OCC#CC2CC2)C1 ZINC001224849324 974022287 /nfs/dbraw/zinc/02/22/87/974022287.db2.gz BMHZYBRBWJUGNE-AWEZNQCLSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H](CC)OCCC[NH+]1CCCCC1 ZINC001224856102 974032606 /nfs/dbraw/zinc/03/26/06/974032606.db2.gz WUYFGBULEMONJY-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(C)nc2)CC1 ZINC001329744344 971247698 /nfs/dbraw/zinc/24/76/98/971247698.db2.gz YBXKPUJVTWWRIL-MQMHXKEQSA-N 1 0 229.327 2.067 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131857481 971281333 /nfs/dbraw/zinc/28/13/33/971281333.db2.gz WQEMRVYZVHMRBW-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC)CC[C@@H]1C ZINC001131857482 971282415 /nfs/dbraw/zinc/28/24/15/971282415.db2.gz WQEMRVYZVHMRBW-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(C)(C)C1CCC1 ZINC001131940934 971296055 /nfs/dbraw/zinc/29/60/55/971296055.db2.gz PHBRVIIJIQNUTG-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)/C(C)=C/C)CC[C@@H]1C ZINC001131950402 971298306 /nfs/dbraw/zinc/29/83/06/971298306.db2.gz LKLQBKTZJLMJAD-OAIDTJHVSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000405751666 971302494 /nfs/dbraw/zinc/30/24/94/971302494.db2.gz JJKKFCHAKIDXFB-XUJVJEKNSA-N 1 0 244.338 2.266 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000405751663 971305126 /nfs/dbraw/zinc/30/51/26/971305126.db2.gz JJKKFCHAKIDXFB-SLEUVZQESA-N 1 0 244.338 2.266 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000405800079 971308283 /nfs/dbraw/zinc/30/82/83/971308283.db2.gz UWYAFLURISZOSM-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CCCCC ZINC001132303947 971330444 /nfs/dbraw/zinc/33/04/44/971330444.db2.gz BVXANLJTQVTTLV-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CCCC ZINC001132304153 971330598 /nfs/dbraw/zinc/33/05/98/971330598.db2.gz HYMJQDABDOCJDB-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CC[C@@H](C)F ZINC001132304298 971331217 /nfs/dbraw/zinc/33/12/17/971331217.db2.gz MBRQIAVIQAPTSZ-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCCF)C1 ZINC001257426897 971333148 /nfs/dbraw/zinc/33/31/48/971333148.db2.gz ARZLHUSFICQDAC-LLVKDONJSA-N 1 0 201.285 2.013 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](F)CC ZINC001132304332 971333668 /nfs/dbraw/zinc/33/36/68/971333668.db2.gz MSTUFFHYLXFKTO-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CC1CCC1 ZINC001132304399 971333723 /nfs/dbraw/zinc/33/37/23/971333723.db2.gz NHTDIOWCFWFCEO-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@@H](OCC[NH+](CC)CC)c1ccncc1 ZINC001224932082 974080336 /nfs/dbraw/zinc/08/03/36/974080336.db2.gz UVAUJYZFTLOBIA-CQSZACIVSA-N 1 0 232.327 2.114 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1(C)CCC1 ZINC001132455204 971353117 /nfs/dbraw/zinc/35/31/17/971353117.db2.gz XKLWRSDOUFWWGV-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001132538459 971372284 /nfs/dbraw/zinc/37/22/84/971372284.db2.gz NPQYMTGTATXBAT-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001132539000 971372393 /nfs/dbraw/zinc/37/23/93/971372393.db2.gz SVPBILLDSHJVSU-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001132538458 971374743 /nfs/dbraw/zinc/37/47/43/971374743.db2.gz NPQYMTGTATXBAT-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132573362 971381297 /nfs/dbraw/zinc/38/12/97/971381297.db2.gz NFWAYSAFKLPPMB-QWHCGFSZSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)C=C ZINC001132577327 971384970 /nfs/dbraw/zinc/38/49/70/971384970.db2.gz SSIWQPPCXHHCOK-STQMWFEESA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CCC(=C)C ZINC001132573892 971385291 /nfs/dbraw/zinc/38/52/91/971385291.db2.gz RTWWHZLEGDZCBT-STQMWFEESA-N 1 0 238.375 2.117 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC1CCC1 ZINC001132653295 971396605 /nfs/dbraw/zinc/39/66/05/971396605.db2.gz JGBJUHDBAFJFGA-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCCC[C@H](C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257507997 971425933 /nfs/dbraw/zinc/42/59/33/971425933.db2.gz BICVEZBAUPTFLB-SRVKXCTJSA-N 1 0 244.379 2.465 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1ccoc1C1CC1 ZINC001132944444 971428129 /nfs/dbraw/zinc/42/81/29/971428129.db2.gz SQSZHDIOKFPNBP-UHFFFAOYSA-N 1 0 248.326 2.053 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001133058011 971444616 /nfs/dbraw/zinc/44/46/16/971444616.db2.gz UOIPLFUNNOHNIN-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001133062941 971450435 /nfs/dbraw/zinc/45/04/35/971450435.db2.gz RNEXIPXKPIPAJT-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@]1(C)CC[C@H](C(C)(C)OCCC[NH3+])O1 ZINC001217864911 971459222 /nfs/dbraw/zinc/45/92/22/971459222.db2.gz DWLJACVMHQRSGG-YPMHNXCESA-N 1 0 227.348 2.254 20 30 BEEDRO N#Cc1ccc(C(=[NH2+])N[C@@H]2CCCSC2)cc1 ZINC001257659872 971460418 /nfs/dbraw/zinc/46/04/18/971460418.db2.gz QIDXRBWDISMWMT-GFCCVEGCSA-N 1 0 245.351 2.159 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+][C@@H](C)CCC=C ZINC001133142444 971462297 /nfs/dbraw/zinc/46/22/97/971462297.db2.gz BOEVKKDYLMPXLO-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)CC ZINC001133167303 971465338 /nfs/dbraw/zinc/46/53/38/971465338.db2.gz DZRXUFQZIIHFBZ-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001257677279 971476510 /nfs/dbraw/zinc/47/65/10/971476510.db2.gz VOZKUJCUNMEXMP-RYUDHWBXSA-N 1 0 209.358 2.227 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1ccc(OCC#N)cc1 ZINC001212606994 971489011 /nfs/dbraw/zinc/48/90/11/971489011.db2.gz GXGKSLJKWWDPLB-UHFFFAOYSA-N 1 0 242.282 2.375 20 30 BEEDRO C#C[C@H](CCCCC)OC[C@@H]1CCC[NH2+]1 ZINC001217885157 971484095 /nfs/dbraw/zinc/48/40/95/971484095.db2.gz BGMHZVHFRTWWDX-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170674582 971484238 /nfs/dbraw/zinc/48/42/38/971484238.db2.gz QHJUXASEIMVCOF-JOYOIKCWSA-N 1 0 235.277 2.433 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(C)CCCCC1 ZINC001133278182 971487880 /nfs/dbraw/zinc/48/78/80/971487880.db2.gz QGHXNVQHVDWUEL-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#C[C@@H](CCCC)OC[C@H]1CCC[NH2+]C1 ZINC001217893649 971494686 /nfs/dbraw/zinc/49/46/86/971494686.db2.gz QRALRQMXBFXPMR-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H](CCCC)OC[C@H]1CCC[NH2+]C1 ZINC001217893648 971492781 /nfs/dbraw/zinc/49/27/81/971492781.db2.gz QRALRQMXBFXPMR-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C1CCC(C(=O)NCC[NH2+]CCCC)CC1 ZINC001133365532 971500379 /nfs/dbraw/zinc/50/03/79/971500379.db2.gz VTEMSYAHVUBLAY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)OC[C@H]1CCC[NH2+]C1 ZINC001217897452 971500396 /nfs/dbraw/zinc/50/03/96/971500396.db2.gz XQIPTTOJQZIWQJ-STQMWFEESA-N 1 0 239.435 2.272 20 30 BEEDRO C=CCCC1(C(=O)NCC[NH2+]CC(C)C)CC1 ZINC001133378927 971505160 /nfs/dbraw/zinc/50/51/60/971505160.db2.gz OZHHZUULXDYISO-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CCC(C(=O)OC)CC2)C1 ZINC001257866033 971507789 /nfs/dbraw/zinc/50/77/89/971507789.db2.gz IECXOSSIBCDMKS-HSBZDZAISA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC1([NH2+]C2CCC(OC(C)C)CC2)CC1 ZINC001257874335 971511968 /nfs/dbraw/zinc/51/19/68/971511968.db2.gz TYHOIVUKYHLDCY-UHFFFAOYSA-N 1 0 221.344 2.478 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]CC3(O)CC3)C[C@H](C1)C2 ZINC001257887092 971519817 /nfs/dbraw/zinc/51/98/17/971519817.db2.gz IDOSSJRROZKRAF-FUNVUKJBSA-N 1 0 221.344 2.236 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC ZINC001133422469 971521168 /nfs/dbraw/zinc/52/11/68/971521168.db2.gz DBRJBTOWILPSNB-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(C)(O)C3)C[C@H](C1)C2 ZINC001257891218 971522298 /nfs/dbraw/zinc/52/22/98/971522298.db2.gz GAZNKAUEJGNFNX-FUNVUKJBSA-N 1 0 221.344 2.188 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](O)C3)C[C@H](C1)C2 ZINC001257889463 971524413 /nfs/dbraw/zinc/52/44/13/971524413.db2.gz ALUIABLHVCTINC-QNMSZWNNSA-N 1 0 221.344 2.188 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001133442801 971528768 /nfs/dbraw/zinc/52/87/68/971528768.db2.gz JNUUVDZDMKRHJJ-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1cccc(N)c1 ZINC001217926768 971532195 /nfs/dbraw/zinc/53/21/95/971532195.db2.gz KFWBTKHPOPNTLN-HUUCEWRRSA-N 1 0 246.354 2.482 20 30 BEEDRO CC[C@H](C#Cc1ccccc1)OCCC[NH3+] ZINC001217927186 971533201 /nfs/dbraw/zinc/53/32/01/971533201.db2.gz GAIWYXWGHQPPAK-CQSZACIVSA-N 1 0 217.312 2.182 20 30 BEEDRO CC[C@@H](C#Cc1ccccc1)OCCC[NH3+] ZINC001217927178 971534241 /nfs/dbraw/zinc/53/42/41/971534241.db2.gz GAIWYXWGHQPPAK-AWEZNQCLSA-N 1 0 217.312 2.182 20 30 BEEDRO C[NH2+][C@H]1C[C@H](Oc2ccc(C#N)c(C)c2C)C1 ZINC001217952464 971540698 /nfs/dbraw/zinc/54/06/98/971540698.db2.gz TUVKJIIYOTVSQR-JOCQHMNTSA-N 1 0 230.311 2.304 20 30 BEEDRO C[C@H](CC(C)(C)S)OC[C@@H]1CCC[NH2+]C1 ZINC001217929796 971537186 /nfs/dbraw/zinc/53/71/86/971537186.db2.gz XZSDFYDZIXWQEY-GHMZBOCLSA-N 1 0 231.405 2.490 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CCC1 ZINC001133455268 971541107 /nfs/dbraw/zinc/54/11/07/971541107.db2.gz BAPDWLCOBSXVOO-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CCCC1 ZINC001133465495 971539736 /nfs/dbraw/zinc/53/97/36/971539736.db2.gz OOVHCLXNDONKNF-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)F ZINC001133474157 971545456 /nfs/dbraw/zinc/54/54/56/971545456.db2.gz QFJFSOWDZWFPQZ-MNOVXSKESA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)F ZINC001133472786 971546893 /nfs/dbraw/zinc/54/68/93/971546893.db2.gz GJOIPJCXFLSTCF-GHMZBOCLSA-N 1 0 244.354 2.184 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@@H]2F)cc(C)c1C#N ZINC001217961361 971547063 /nfs/dbraw/zinc/54/70/63/971547063.db2.gz KZFUGPBTLOGUMJ-KBPBESRZSA-N 1 0 248.301 2.254 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccccc1 ZINC001133525676 971553838 /nfs/dbraw/zinc/55/38/38/971553838.db2.gz ORNCZJSDQURHMS-QWHCGFSZSA-N 1 0 246.354 2.359 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC1 ZINC001133483169 971548341 /nfs/dbraw/zinc/54/83/41/971548341.db2.gz TXHHVJYYVKZYLQ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001133490319 971549346 /nfs/dbraw/zinc/54/93/46/971549346.db2.gz DYPKWQYXYKDPOF-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO Cc1cc(C#N)cc(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217970477 971553502 /nfs/dbraw/zinc/55/35/02/971553502.db2.gz GRQCJEZAGIFSGQ-CYBMUJFWSA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CCC[C@H]2C#N)CC1 ZINC001258011716 971555750 /nfs/dbraw/zinc/55/57/50/971555750.db2.gz OYOZZDRWBYXZGI-AWEZNQCLSA-N 1 0 235.375 2.095 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217975319 971557733 /nfs/dbraw/zinc/55/77/33/971557733.db2.gz ICPZGGZKXYJDPR-OCCSQVGLSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(C#N)cc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1 ZINC001217977890 971558465 /nfs/dbraw/zinc/55/84/65/971558465.db2.gz OOVGZKNANHFWRL-ZIAGYGMSSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cccc(O[C@@H]2CCCC[NH2+]C2)c1C#N ZINC001217973847 971559315 /nfs/dbraw/zinc/55/93/15/971559315.db2.gz ZOESXFYIIWEKGU-GFCCVEGCSA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CCC[C@@H](C#N)C2)CC1 ZINC001258017160 971559658 /nfs/dbraw/zinc/55/96/58/971559658.db2.gz UNGDOGRHBJNENM-AWEZNQCLSA-N 1 0 249.402 2.342 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217975316 971559973 /nfs/dbraw/zinc/55/99/73/971559973.db2.gz ICPZGGZKXYJDPR-JSGCOSHPSA-N 1 0 248.301 2.336 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC ZINC001133555931 971564452 /nfs/dbraw/zinc/56/44/52/971564452.db2.gz QYUHRPZENDYUGX-GHMZBOCLSA-N 1 0 246.782 2.412 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)C ZINC001133590467 971570341 /nfs/dbraw/zinc/57/03/41/971570341.db2.gz LEQJZWRRQCRVJH-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)c1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218019427 971574363 /nfs/dbraw/zinc/57/43/63/971574363.db2.gz JFMIBYUXKLDBGD-STQMWFEESA-N 1 0 221.275 2.408 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)C ZINC001133590465 971571774 /nfs/dbraw/zinc/57/17/74/971571774.db2.gz LEQJZWRRQCRVJH-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C=C(C)C ZINC001133585119 971572849 /nfs/dbraw/zinc/57/28/49/971572849.db2.gz CDQFBLOWGYUXPF-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C#CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC ZINC001133764430 971595903 /nfs/dbraw/zinc/59/59/03/971595903.db2.gz HFWRFQFRGJCFIC-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001133841023 971607961 /nfs/dbraw/zinc/60/79/61/971607961.db2.gz RXOSJBVSIWFHNK-NALFIARHSA-N 1 0 238.375 2.402 20 30 BEEDRO N#Cc1cc(F)ccc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227025305 1169618350 /nfs/dbraw/zinc/61/83/50/1169618350.db2.gz LURIGFISYPBTLO-CQSZACIVSA-N 1 0 246.285 2.170 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc2ccccc2[nH]1 ZINC001218205874 971626875 /nfs/dbraw/zinc/62/68/75/971626875.db2.gz YACVRZGZXLZDCT-ZDUSSCGKSA-N 1 0 228.295 2.465 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)ccc1F ZINC001218203409 971627607 /nfs/dbraw/zinc/62/76/07/971627607.db2.gz FIGGMXLXFXQOIA-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC1CC1 ZINC001133961023 971628887 /nfs/dbraw/zinc/62/88/87/971628887.db2.gz UCCKXVADZOMPDK-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1nc2cccc(C)c2o1 ZINC001218208755 971630367 /nfs/dbraw/zinc/63/03/67/971630367.db2.gz PDRDPVBGVQLZKO-LBPRGKRZSA-N 1 0 244.294 2.433 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C=C/C1CC1 ZINC001134017273 971639340 /nfs/dbraw/zinc/63/93/40/971639340.db2.gz BIQUTYWXBHDAOE-LASXONHFSA-N 1 0 236.359 2.012 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C/C ZINC001134047746 971655051 /nfs/dbraw/zinc/65/50/51/971655051.db2.gz RFPGCJWGVYPSAA-OXJBHRBVSA-N 1 0 238.375 2.402 20 30 BEEDRO Cc1cc(O[C@H]2CCC[NH2+]C2)cc(C)c1C#N ZINC001218282382 971673054 /nfs/dbraw/zinc/67/30/54/971673054.db2.gz TYAGAHXQFUBPCI-LBPRGKRZSA-N 1 0 230.311 2.306 20 30 BEEDRO CC(=O)/C=C\c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001218284486 971678475 /nfs/dbraw/zinc/67/84/75/971678475.db2.gz RLSRZEVXVWNIIP-FOSCPCJNSA-N 1 0 245.322 2.420 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1c(C)cccc1C ZINC001134237095 971683346 /nfs/dbraw/zinc/68/33/46/971683346.db2.gz UBXKNSIMHKBRCQ-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO N#Cc1cc2ccc(O[C@H]3CCC[NH2+]C3)cc2[nH]1 ZINC001218285444 971683456 /nfs/dbraw/zinc/68/34/56/971683456.db2.gz IMCJAUHZDLDXOE-ZDUSSCGKSA-N 1 0 241.294 2.170 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C=C(\C)CC ZINC001134285331 971697917 /nfs/dbraw/zinc/69/79/17/971697917.db2.gz QFNUVAAURSEMSK-FWPSRMAWSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCC1([NH2+]CC2(OC)CCC2)CCOCC1 ZINC001330637109 974377694 /nfs/dbraw/zinc/37/76/94/974377694.db2.gz FMDGWTABEQTWCM-UHFFFAOYSA-N 1 0 239.359 2.270 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218342908 971717393 /nfs/dbraw/zinc/71/73/93/971717393.db2.gz ACQPQMRMHUGOFY-TZMCWYRMSA-N 1 0 215.296 2.326 20 30 BEEDRO C=CCCCCC[NH2+]C1CC(N(C)C(C)=O)C1 ZINC001279181762 971744570 /nfs/dbraw/zinc/74/45/70/971744570.db2.gz NEABUIBOPIEXIO-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C(C)C ZINC001134643797 971747286 /nfs/dbraw/zinc/74/72/86/971747286.db2.gz FPYQQAODBCSWEU-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc2cccc(C#N)c2c1 ZINC001218384414 971764744 /nfs/dbraw/zinc/76/47/44/971764744.db2.gz CZNJKPMLFBNKHN-BONVTDFDSA-N 1 0 238.290 2.451 20 30 BEEDRO C=C(C)c1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1 ZINC001218388560 971766764 /nfs/dbraw/zinc/76/67/64/971766764.db2.gz SGQXURVSOKNUJZ-GXFFZTMASA-N 1 0 203.285 2.459 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001134746606 971776569 /nfs/dbraw/zinc/77/65/69/971776569.db2.gz SSLSQJAGDOUBEY-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO SC1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172231279 974474779 /nfs/dbraw/zinc/47/47/79/974474779.db2.gz OVEXRGFEVKVOFF-FGWVZKOKSA-N 1 0 227.373 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1(C)CC1 ZINC001135032362 971820773 /nfs/dbraw/zinc/82/07/73/971820773.db2.gz CZXKCQBOPWYWDH-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1(C)CC1 ZINC001135032363 971821452 /nfs/dbraw/zinc/82/14/52/971821452.db2.gz CZXKCQBOPWYWDH-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO Cc1c(C#N)cccc1O[C@H]1C[NH2+]CC[C@H]1C ZINC001218481343 971828570 /nfs/dbraw/zinc/82/85/70/971828570.db2.gz PAATWJVCFIDOCW-YGRLFVJLSA-N 1 0 230.311 2.244 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](C)[C@@H](C)C(C)(C)C ZINC001135178463 971844858 /nfs/dbraw/zinc/84/48/58/971844858.db2.gz VVOCPLCNALYRMR-VXGBXAGGSA-N 1 0 240.391 2.197 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c1 ZINC001231657889 1169675656 /nfs/dbraw/zinc/67/56/56/1169675656.db2.gz NXXFTXFZHZWZNR-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCCC[C@@](C)(O)C2)c1 ZINC001231657779 1169677184 /nfs/dbraw/zinc/67/71/84/1169677184.db2.gz MRTFETAMPAUPPY-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[NH2+]C1CC(C#N)C1 ZINC001172327070 974536770 /nfs/dbraw/zinc/53/67/70/974536770.db2.gz CWPQHVUNGHUTOK-IALDZJHCSA-N 1 0 224.348 2.472 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH2+]CCS ZINC001172323005 974534650 /nfs/dbraw/zinc/53/46/50/974534650.db2.gz ZXYNOUDDTJVKGT-VHSXEESVSA-N 1 0 205.367 2.100 20 30 BEEDRO C#Cc1cccc(C[NH+]2CCSCC2)c1 ZINC001231657865 1169677799 /nfs/dbraw/zinc/67/77/99/1169677799.db2.gz NQTSCCLHADLYTG-UHFFFAOYSA-N 1 0 217.337 2.217 20 30 BEEDRO N#CCC1([NH2+][C@@H]2CCCOCC2)CCCC1 ZINC001170806192 971857878 /nfs/dbraw/zinc/85/78/78/971857878.db2.gz YJIYDLOWTSGSEG-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO Cc1cc(C)c(C#N)c(-c2ccncc2C[NH3+])n1 ZINC001245556014 971859522 /nfs/dbraw/zinc/85/95/22/971859522.db2.gz OMVJVMJIDLLFNK-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO C#Cc1cccc(C[NH+]2CC([C@H](C)OC)C2)c1 ZINC001231661655 1169679968 /nfs/dbraw/zinc/67/99/68/1169679968.db2.gz XMRXGCMBDHDLOA-LBPRGKRZSA-N 1 0 229.323 2.135 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001231660651 1169680188 /nfs/dbraw/zinc/68/01/88/1169680188.db2.gz JHMBYVRILBZUEG-OAHLLOKOSA-N 1 0 227.307 2.033 20 30 BEEDRO CN(CCC#N)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232144188 1169681954 /nfs/dbraw/zinc/68/19/54/1169681954.db2.gz KDTCKUBMRNNHQQ-UHFFFAOYSA-N 1 0 249.333 2.233 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCF ZINC001172290671 974557941 /nfs/dbraw/zinc/55/79/41/974557941.db2.gz RFKMRIUBEGGNNS-JTQLQIEISA-N 1 0 206.264 2.048 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000309957056 971896011 /nfs/dbraw/zinc/89/60/11/971896011.db2.gz SZJMDYJUOFWFEG-HOCLYGCPSA-N 1 0 242.366 2.262 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C(CC)CC ZINC001276793754 971926472 /nfs/dbraw/zinc/92/64/72/971926472.db2.gz VWJXJJKIBJFKEV-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC1CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170827702 971930598 /nfs/dbraw/zinc/93/05/98/971930598.db2.gz NHEXSWHQKFWLJW-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001170827457 971930509 /nfs/dbraw/zinc/93/05/09/971930509.db2.gz LGCBYAFSXHFPOU-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1occ(C)c1C#N ZINC001218764689 971932860 /nfs/dbraw/zinc/93/28/60/971932860.db2.gz OASMWHWPPUJCBO-NSHDSACASA-N 1 0 249.314 2.032 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[N@H+](C)CCC#N ZINC001172333943 974599627 /nfs/dbraw/zinc/59/96/27/974599627.db2.gz AXNFNHLERMGACO-NWDGAFQWSA-N 1 0 212.337 2.426 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)[C@H](C)CC ZINC001135863376 971983387 /nfs/dbraw/zinc/98/33/87/971983387.db2.gz HGBGOEQTEHFSCI-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)CC(C)C ZINC001135874843 971987370 /nfs/dbraw/zinc/98/73/70/971987370.db2.gz KPOPEXHMDFFOEM-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](CC)CCC ZINC001135878649 971990362 /nfs/dbraw/zinc/99/03/62/971990362.db2.gz XRSUXLBCOAXCHK-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH+]1CC(CC#N)C1 ZINC001172340500 974608230 /nfs/dbraw/zinc/60/82/30/974608230.db2.gz QTIXHAXKUJHYAF-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH2+]CCCS ZINC001172342392 974613101 /nfs/dbraw/zinc/61/31/01/974613101.db2.gz KYRHOQXJTSXHGR-WDEREUQCSA-N 1 0 219.394 2.490 20 30 BEEDRO C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCC[C@@H]1C#N ZINC001331143378 974616351 /nfs/dbraw/zinc/61/63/51/974616351.db2.gz MLCRJMSODGTPRY-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC001170896650 972047727 /nfs/dbraw/zinc/04/77/27/972047727.db2.gz ZHNZNPMDQWZWRO-LLVKDONJSA-N 1 0 219.715 2.420 20 30 BEEDRO C[C@@H]([NH3+])CCNc1cc(F)cc(CC#N)c1 ZINC001170894165 972051194 /nfs/dbraw/zinc/05/11/94/972051194.db2.gz HNRAJTCYXVMLMP-SECBINFHSA-N 1 0 221.279 2.041 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc(C#N)cc2C#N)C1 ZINC001241571356 1169732815 /nfs/dbraw/zinc/73/28/15/1169732815.db2.gz XKVJBCKHZIWZLY-UHFFFAOYSA-N 1 0 223.279 2.149 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2cccc(F)c2C1 ZINC001170999064 972221931 /nfs/dbraw/zinc/22/19/31/972221931.db2.gz AOVMXNPUAZPNBV-GFCCVEGCSA-N 1 0 217.287 2.248 20 30 BEEDRO FC(F)(F)c1c[nH+]ccc1NCCCS ZINC001171003726 972231208 /nfs/dbraw/zinc/23/12/08/972231208.db2.gz IPYKIOYNGJYGNH-UHFFFAOYSA-N 1 0 236.262 2.254 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1 ZINC001480867600 957121988 /nfs/dbraw/zinc/12/19/88/957121988.db2.gz OXTFMPNIDDVORQ-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C#CCN1CC[NH+](CCCC2CCCC2)CC1 ZINC000089945656 957171394 /nfs/dbraw/zinc/17/13/94/957171394.db2.gz DRCHMYXQOHHYBE-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C[N@H+]1CC=C(Nc2c(F)cccc2C#N)CC1 ZINC001208839321 957183674 /nfs/dbraw/zinc/18/36/74/957183674.db2.gz ZTPNPSVCZSSBQA-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001266323813 957242006 /nfs/dbraw/zinc/24/20/06/957242006.db2.gz OMPVLZMNSAZHNZ-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001266339308 957291201 /nfs/dbraw/zinc/29/12/01/957291201.db2.gz NLMUDMQBBXBURE-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOC(C)(C)C[NH+]1CCC(S)CC1 ZINC001209073323 957313516 /nfs/dbraw/zinc/31/35/16/957313516.db2.gz SNDMKMLQEDZHBG-UHFFFAOYSA-N 1 0 217.378 2.196 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC001209200089 957351069 /nfs/dbraw/zinc/35/10/69/957351069.db2.gz BNTTYTUGZNSISE-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCCC[N@H+]1CCOC[C@](C)(O)C1 ZINC001209431425 957457010 /nfs/dbraw/zinc/45/70/10/957457010.db2.gz NJVNPMWRWALTRX-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCCCCCC[N@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001209430781 957459675 /nfs/dbraw/zinc/45/96/75/957459675.db2.gz CJXJWIBNRPHBFJ-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCCCC[N@H+]1C[C@H](C)[C@H](O)C1 ZINC001209431852 957461940 /nfs/dbraw/zinc/46/19/40/957461940.db2.gz UZPCKDGGAQXMRQ-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[N@@H+]1CC[C@H](Nc2cccc(CC#N)c2F)C1 ZINC001167275118 957617296 /nfs/dbraw/zinc/61/72/96/957617296.db2.gz GMFWDMRMUGCAAT-NSHDSACASA-N 1 0 233.290 2.008 20 30 BEEDRO C=CCCC[NH2+]Cc1cnn(C)c1Cl ZINC000382189628 957621474 /nfs/dbraw/zinc/62/14/74/957621474.db2.gz CCPINAOKQITVFJ-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C[N@@H+]1CC[C@H](Nc2ccc3c(C#N)c[nH]c3c2)C1 ZINC001167278632 957625784 /nfs/dbraw/zinc/62/57/84/957625784.db2.gz PAYADDVIOKISDH-LBPRGKRZSA-N 1 0 240.310 2.156 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)CCC(C)(F)F ZINC001480880556 957689048 /nfs/dbraw/zinc/68/90/48/957689048.db2.gz AVXSIYHKRSKDKQ-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)c2cccc(C#N)c2)CC1 ZINC001167330119 957776745 /nfs/dbraw/zinc/77/67/45/957776745.db2.gz VEVDQOVFYCFMQZ-OAHLLOKOSA-N 1 0 242.322 2.244 20 30 BEEDRO C=CCc1cc(C)cnc1NC1CC(=O)C1 ZINC001167336306 957792958 /nfs/dbraw/zinc/79/29/58/957792958.db2.gz YCWYVORSCDZENQ-UHFFFAOYSA-N 1 0 216.284 2.262 20 30 BEEDRO C[C@H]1CC(=O)C=C(Nc2c[nH+]ccc2N(C)C)C1 ZINC001210766312 957865835 /nfs/dbraw/zinc/86/58/35/957865835.db2.gz OFINTFJPHULKMZ-SNVBAGLBSA-N 1 0 245.326 2.442 20 30 BEEDRO C=CC[N@@H+](CCNC(=O)/C=C(\C)C1CC1)C1CC1 ZINC001266583992 957915735 /nfs/dbraw/zinc/91/57/35/957915735.db2.gz QLMDUWDXPDTHSF-VAWYXSNFSA-N 1 0 248.370 2.109 20 30 BEEDRO Cc1ccc(Nc2c[nH+]cn2C)cc1C#N ZINC001211250632 958114031 /nfs/dbraw/zinc/11/40/31/958114031.db2.gz PADMXDYOYOCORN-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO Cc1cc(C#N)c(F)cc1Nc1c[nH+]cn1C ZINC001211251723 958119506 /nfs/dbraw/zinc/11/95/06/958119506.db2.gz NLRKXHARDMAIFM-UHFFFAOYSA-N 1 0 230.246 2.483 20 30 BEEDRO COc1c[nH+]ccc1Nc1sc(C)cc1C#N ZINC001211257793 958124813 /nfs/dbraw/zinc/12/48/13/958124813.db2.gz SLVPSFHWFWEVDL-UHFFFAOYSA-N 1 0 245.307 2.497 20 30 BEEDRO C=CC1CCN(C(=O)[C@H]([NH3+])C[C@H](C)CC)CC1 ZINC000706701515 958154059 /nfs/dbraw/zinc/15/40/59/958154059.db2.gz MXJVRLXQDLOAEJ-DGCLKSJQSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC1CCN(C(=O)[C@H]([NH3+])C[C@@H](C)CC)CC1 ZINC000706701517 958156327 /nfs/dbraw/zinc/15/63/27/958156327.db2.gz MXJVRLXQDLOAEJ-WCQYABFASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccoc2)C1 ZINC001266668038 958196620 /nfs/dbraw/zinc/19/66/20/958196620.db2.gz NGHDQKTZWFJJKX-BETUJISGSA-N 1 0 248.326 2.096 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000398439624 958263663 /nfs/dbraw/zinc/26/36/63/958263663.db2.gz HZTFJTWTZYLOBK-STQMWFEESA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398439618 958264833 /nfs/dbraw/zinc/26/48/33/958264833.db2.gz HZTFJTWTZYLOBK-CHWSQXEVSA-N 1 0 240.391 2.461 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000690064318 958288476 /nfs/dbraw/zinc/28/84/76/958288476.db2.gz BPRJFQNCWXVMIU-DOMZBBRYSA-N 1 0 245.322 2.218 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001266746020 958334791 /nfs/dbraw/zinc/33/47/91/958334791.db2.gz BFMKFHJZBJSJLH-AWEZNQCLSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CC(=C)C)C[C@H]21 ZINC001221424567 972341983 /nfs/dbraw/zinc/34/19/83/972341983.db2.gz IFMDXYVLXVZTCK-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001348535433 958405538 /nfs/dbraw/zinc/40/55/38/958405538.db2.gz MKPNPYDZBQCYBV-ZIAGYGMSSA-N 1 0 246.354 2.120 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001348535432 958406615 /nfs/dbraw/zinc/40/66/15/958406615.db2.gz MKPNPYDZBQCYBV-UONOGXRCSA-N 1 0 246.354 2.120 20 30 BEEDRO Cc1c(C#N)cccc1Nc1c[nH+]cn1C ZINC001216172964 958646121 /nfs/dbraw/zinc/64/61/21/958646121.db2.gz DKYPWYUUHGZETL-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C1(C)CCCC1 ZINC001266959446 958660331 /nfs/dbraw/zinc/66/03/31/958660331.db2.gz SWDOCYQIQLKGNU-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C=C1CCC1 ZINC001125552216 958662350 /nfs/dbraw/zinc/66/23/50/958662350.db2.gz QXIGTZZEKXAZMR-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](C)[NH2+]CC(=C)C ZINC001266967070 958672332 /nfs/dbraw/zinc/67/23/32/958672332.db2.gz HBTGHWMZXRMLJX-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H](C)C1CCCC1 ZINC001266966146 958673125 /nfs/dbraw/zinc/67/31/25/958673125.db2.gz HPOGHKRPGGLDTG-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001266975089 958689013 /nfs/dbraw/zinc/68/90/13/958689013.db2.gz JYLDOWNHZOFADA-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000724154618 958738865 /nfs/dbraw/zinc/73/88/65/958738865.db2.gz CQLYFZZJWVZGJH-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000724154620 958739071 /nfs/dbraw/zinc/73/90/71/958739071.db2.gz CQLYFZZJWVZGJH-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C#C[C@@H]([NH2+]CC#Cc1ccccc1)C(C)C ZINC000300846964 958770051 /nfs/dbraw/zinc/77/00/51/958770051.db2.gz DVRUSHPVLTUUQS-OAHLLOKOSA-N 1 0 211.308 2.286 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934214208 958813780 /nfs/dbraw/zinc/81/37/80/958813780.db2.gz LHGLLBFVRCMZEH-IUODEOHRSA-N 1 0 247.338 2.284 20 30 BEEDRO C=CCCC[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934216055 958816512 /nfs/dbraw/zinc/81/65/12/958816512.db2.gz AWGNLDDIHSAEJZ-IUODEOHRSA-N 1 0 247.338 2.284 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926356734 958819981 /nfs/dbraw/zinc/81/99/81/958819981.db2.gz OJRHIJWEWTWWTK-WUCCLRPBSA-N 1 0 247.386 2.000 20 30 BEEDRO N#CCCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246522355 972379694 /nfs/dbraw/zinc/37/96/94/972379694.db2.gz CHJQZGJLKWFBNR-HNNXBMFYSA-N 1 0 243.354 2.154 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC001167548860 958856589 /nfs/dbraw/zinc/85/65/89/958856589.db2.gz JEYBLYMIJHPKLT-OLZOCXBDSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)CC ZINC001267119367 958902570 /nfs/dbraw/zinc/90/25/70/958902570.db2.gz DESKPDBXGIWDKN-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCc2cccnc21)C(C)C ZINC000300862512 958978470 /nfs/dbraw/zinc/97/84/70/958978470.db2.gz GOQOCIZHHHUMEQ-CHWSQXEVSA-N 1 0 214.312 2.316 20 30 BEEDRO N#CCc1cccc(-n2cccc2C[NH3+])c1F ZINC001167590413 958979597 /nfs/dbraw/zinc/97/95/97/958979597.db2.gz YYLDDDIFFWYCPA-UHFFFAOYSA-N 1 0 229.258 2.141 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)CCC ZINC001267182960 959070979 /nfs/dbraw/zinc/07/09/79/959070979.db2.gz CWFNCTNXYJQDDZ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](NC(C)=O)CC1 ZINC001327093369 972400611 /nfs/dbraw/zinc/40/06/11/972400611.db2.gz BZEPMFHINQEIJU-GXTWGEPZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1ccccc1CNc1cc(N)c(F)c[nH+]1 ZINC001167633708 959156504 /nfs/dbraw/zinc/15/65/04/959156504.db2.gz OQMLDGNKXPSHJN-UHFFFAOYSA-N 1 0 242.257 2.287 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ncccc1C)C(C)C ZINC000300894386 959209116 /nfs/dbraw/zinc/20/91/16/959209116.db2.gz KEHMMDUNWOQMKD-LBPRGKRZSA-N 1 0 202.301 2.137 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](CC)CCC ZINC001267224491 959233618 /nfs/dbraw/zinc/23/36/18/959233618.db2.gz FDTFQGBBWHATMU-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C(=O)NCCCNc1[nH+]ccc(C)c1C ZINC001167666282 959284540 /nfs/dbraw/zinc/28/45/40/959284540.db2.gz DIVQUOWADPZZHU-UHFFFAOYSA-N 1 0 247.342 2.193 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CCCOC2)CCCC1 ZINC000405102683 959385494 /nfs/dbraw/zinc/38/54/94/959385494.db2.gz FGMRBXHMHMAULA-GFCCVEGCSA-N 1 0 222.332 2.087 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405108012 959387253 /nfs/dbraw/zinc/38/72/53/959387253.db2.gz ZJPMKBGBYYWAHS-NSHDSACASA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1C ZINC001267316520 959422688 /nfs/dbraw/zinc/42/26/88/959422688.db2.gz SLAVZFKEKWPICG-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@@H]1CCCOCC1 ZINC000308830820 959515532 /nfs/dbraw/zinc/51/55/32/959515532.db2.gz JIVZFWJRBZQQDK-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO CC(C)CC[NH2+]Cc1ccc(C#N)cn1 ZINC000308836685 959519434 /nfs/dbraw/zinc/51/94/34/959519434.db2.gz IKSHOXFQNSOMTG-UHFFFAOYSA-N 1 0 203.289 2.089 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CCC23C[NH2+]C3)CC1 ZINC001222303437 972436355 /nfs/dbraw/zinc/43/63/55/972436355.db2.gz KKMFWUUNVFYRFT-CQSZACIVSA-N 1 0 232.371 2.337 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)CC#N)CCO1 ZINC000308881506 959537150 /nfs/dbraw/zinc/53/71/50/959537150.db2.gz UNQXQKPOROWQSE-IJLUTSLNSA-N 1 0 210.321 2.082 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000229319598 959567828 /nfs/dbraw/zinc/56/78/28/959567828.db2.gz SFVASQGNRLMRCB-SNVBAGLBSA-N 1 0 228.336 2.065 20 30 BEEDRO Cc1cc(N2CCC[C@H](C#N)C2)cc[nH+]1 ZINC000693924969 959591939 /nfs/dbraw/zinc/59/19/39/959591939.db2.gz FNZBXZQTFOAKTM-LLVKDONJSA-N 1 0 201.273 2.130 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001351410269 959609567 /nfs/dbraw/zinc/60/95/67/959609567.db2.gz AATSSGHMHDIVKI-AXFHLTTASA-N 1 0 249.276 2.440 20 30 BEEDRO CCCCCCCCO[C@H]1C[NH2+]C[C@@H]1C#N ZINC001217833747 959628889 /nfs/dbraw/zinc/62/88/89/959628889.db2.gz SVXUZMRFIOSVCD-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO CCCCCCCCO[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001217833744 959629785 /nfs/dbraw/zinc/62/97/85/959629785.db2.gz SVXUZMRFIOSVCD-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO C#CCCCCCC(=O)N(C)CC[NH2+]C(C)C ZINC001267414829 959644192 /nfs/dbraw/zinc/64/41/92/959644192.db2.gz RHJZSVWFDQJLDR-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[C@H]1C ZINC001267421021 959648486 /nfs/dbraw/zinc/64/84/86/959648486.db2.gz PGGDKQPUAGICIQ-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C/C(=C\C=C\N)[NH2+]CCc1ccc(C#N)cc1 ZINC001167678998 959688899 /nfs/dbraw/zinc/68/88/99/959688899.db2.gz HHFONKMQRAZKSZ-SMJHQYGPSA-N 1 0 227.311 2.067 20 30 BEEDRO C=C[C@H](C#CC(C)(C)C)OC[C@H]1CCC[NH2+]1 ZINC001217915504 959750436 /nfs/dbraw/zinc/75/04/36/959750436.db2.gz LVTXMXWUMSMQSG-CHWSQXEVSA-N 1 0 221.344 2.359 20 30 BEEDRO C=C[C@@H](CCCC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217931158 959781825 /nfs/dbraw/zinc/78/18/25/959781825.db2.gz RDHXGKSDTCRFGS-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO C=C[C@H](CCCC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217931152 959781848 /nfs/dbraw/zinc/78/18/48/959781848.db2.gz RDHXGKSDTCRFGS-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]2CC[N@H+](CC=C)[C@H]2C1 ZINC001222402384 972460948 /nfs/dbraw/zinc/46/09/48/972460948.db2.gz VEHXVSLMNDGFKC-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](CCNC(=O)CCC)C1 ZINC001267550425 959844637 /nfs/dbraw/zinc/84/46/37/959844637.db2.gz WTZJLZNHZCHGRK-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@H+]1CC[C@H](CCNC(=O)CC(C)C)C1 ZINC001267549657 959844959 /nfs/dbraw/zinc/84/49/59/959844959.db2.gz GVCJPYWAVZKMAQ-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCn1cc(-c2ccc(C[NH2+]C)cc2)cn1 ZINC001222405539 972464151 /nfs/dbraw/zinc/46/41/51/972464151.db2.gz PMELBJNBUBOFJC-UHFFFAOYSA-N 1 0 227.311 2.456 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000309497243 959891333 /nfs/dbraw/zinc/89/13/33/959891333.db2.gz YTJJPRHFLZLOAS-JQWIXIFHSA-N 1 0 221.300 2.244 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCC(=C)C ZINC001481041919 959981152 /nfs/dbraw/zinc/98/11/52/959981152.db2.gz MKSVTNXKNDTXQP-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCc1cccc(O[C@H]2C[NH2+][C@@H]2C)c1 ZINC001218384016 960023733 /nfs/dbraw/zinc/02/37/33/960023733.db2.gz BQGOYVNQWGGKTK-MFKMUULPSA-N 1 0 203.285 2.154 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@@H]1C[NH2+][C@@H]1C ZINC001218389778 960035593 /nfs/dbraw/zinc/03/55/93/960035593.db2.gz ZJYKTINPAIWUEA-ZWNOBZJWSA-N 1 0 230.311 2.421 20 30 BEEDRO C#CCN(C)Cc1cc(F)c(OCC)c(F)c1 ZINC001144030630 972474874 /nfs/dbraw/zinc/47/48/74/972474874.db2.gz HNNKSZGTLMANLL-UHFFFAOYSA-N 1 0 239.265 2.429 20 30 BEEDRO CC(C)[N@H+](CCO[C@@H](C)C#N)C1CCC1 ZINC000686009768 960039977 /nfs/dbraw/zinc/03/99/77/960039977.db2.gz JMSJAUZKHNMTJN-NSHDSACASA-N 1 0 210.321 2.178 20 30 BEEDRO C=C(C[NH2+][C@@H](C)COCCOC)c1ccccc1 ZINC000892712184 960112320 /nfs/dbraw/zinc/11/23/20/960112320.db2.gz PYEOAFQRKYWBAX-AWEZNQCLSA-N 1 0 249.354 2.341 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)C(C)(C)F ZINC001481128333 960118335 /nfs/dbraw/zinc/11/83/35/960118335.db2.gz NUAGRZKAQVYRTM-UHFFFAOYSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)C[NH+]1CC(CNC(=O)CCCCC)C1 ZINC001267674686 960194532 /nfs/dbraw/zinc/19/45/32/960194532.db2.gz GMOOXVUEEVRGEP-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH+]1CC(CNC(=O)CCCCC)C1 ZINC001267674578 960194900 /nfs/dbraw/zinc/19/49/00/960194900.db2.gz DWISJERHOZYARU-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](C)CC ZINC001481208661 960209301 /nfs/dbraw/zinc/20/93/01/960209301.db2.gz OXXAEJYTAXOGHV-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](C)CC ZINC001481208662 960209763 /nfs/dbraw/zinc/20/97/63/960209763.db2.gz OXXAEJYTAXOGHV-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)[C@H](CC)CCC)C1 ZINC001267695219 960212174 /nfs/dbraw/zinc/21/21/74/960212174.db2.gz OCUCOTGBFTYHRW-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C[NH2+]CCNc1ccc(-c2ccc(C#N)o2)cc1 ZINC001167723754 960229936 /nfs/dbraw/zinc/22/99/36/960229936.db2.gz ANSYJPMQVSUHSP-UHFFFAOYSA-N 1 0 241.294 2.450 20 30 BEEDRO CN(C)C(=[NH2+])NCC1(Sc2ccccc2)CC1 ZINC000178573756 960234395 /nfs/dbraw/zinc/23/43/95/960234395.db2.gz JROJWUSLFPILEA-UHFFFAOYSA-N 1 0 249.383 2.188 20 30 BEEDRO C=CC[C@@H](C)C(=O)NC1CC[NH+](CCC)CC1 ZINC001144021601 972493058 /nfs/dbraw/zinc/49/30/58/972493058.db2.gz NSLSOWXUNUTCKX-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001267731260 960247746 /nfs/dbraw/zinc/24/77/46/960247746.db2.gz VNVWEKYQCUKUSV-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(Cl)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692557433 960292648 /nfs/dbraw/zinc/29/26/48/960292648.db2.gz QPZHFVGEXXBEHO-MIMYLULJSA-N 1 0 216.756 2.187 20 30 BEEDRO C=C(Cl)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692557432 960293601 /nfs/dbraw/zinc/29/36/01/960293601.db2.gz QPZHFVGEXXBEHO-LSJOCFKGSA-N 1 0 216.756 2.187 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC1(C)C ZINC001267800315 960376384 /nfs/dbraw/zinc/37/63/84/960376384.db2.gz RWASOTICBZJISY-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](CC)[NH2+]CCC ZINC001267807766 960385766 /nfs/dbraw/zinc/38/57/66/960385766.db2.gz CZXPGDBQWAVXML-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CC[NH2+]C[C@](C)(NC(=O)CC(C)C)C1CC1 ZINC001267846474 960430640 /nfs/dbraw/zinc/43/06/40/960430640.db2.gz JEVVMEAGHAWOBU-AWEZNQCLSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000695780496 960456198 /nfs/dbraw/zinc/45/61/98/960456198.db2.gz UOHUWTFINHDTFW-IJLUTSLNSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC[NH2+]C[C@]1(NC(=O)CC)CCCC[C@@H]1C ZINC001267867452 960457148 /nfs/dbraw/zinc/45/71/48/960457148.db2.gz GAQDKWPEJWYBJB-GXTWGEPZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000695813026 960490848 /nfs/dbraw/zinc/49/08/48/960490848.db2.gz RNNAARWRFSZLAW-UTUOFQBUSA-N 1 0 224.348 2.065 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(CO)o1 ZINC001140682122 960493821 /nfs/dbraw/zinc/49/38/21/960493821.db2.gz NPNJITHFLUITAG-CNDDSTCGSA-N 1 0 246.310 2.038 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000695834288 960500005 /nfs/dbraw/zinc/50/00/05/960500005.db2.gz BJTGARPZYIIOCL-WISYIIOYSA-N 1 0 224.348 2.470 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@H]([NH2+]CCC)CC1 ZINC001267923331 960515334 /nfs/dbraw/zinc/51/53/34/960515334.db2.gz RIMLYLWOGZVSTQ-JOCQHMNTSA-N 1 0 238.375 2.380 20 30 BEEDRO CCn1cc(C[NH2+][C@H](C)CC(C)(C)C#N)cn1 ZINC000695858061 960531571 /nfs/dbraw/zinc/53/15/71/960531571.db2.gz GYGVPPNWAHUNCJ-LLVKDONJSA-N 1 0 234.347 2.321 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(CNC(=O)CC)cc1 ZINC001267932724 960532060 /nfs/dbraw/zinc/53/20/60/960532060.db2.gz YEXRAYRXTFSZDS-UHFFFAOYSA-N 1 0 246.354 2.379 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)C(C)(C)O ZINC000695888403 960564378 /nfs/dbraw/zinc/56/43/78/960564378.db2.gz USFBXTGEJIVEPQ-UWVGGRQHSA-N 1 0 212.337 2.064 20 30 BEEDRO N#Cc1ccc2c(c1)CCN(Cc1cnco1)C2 ZINC001140928670 960702622 /nfs/dbraw/zinc/70/26/22/960702622.db2.gz QMBHSVJIEFMYPY-UHFFFAOYSA-N 1 0 239.278 2.105 20 30 BEEDRO Cc1nccnc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001140938148 960727109 /nfs/dbraw/zinc/72/71/09/960727109.db2.gz YGZHGANURDONOQ-XYYAHUGASA-N 1 0 242.326 2.052 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001027040754 960740016 /nfs/dbraw/zinc/74/00/16/960740016.db2.gz IYAMZLDNCMNHRF-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)C1CCC1)C(C)C ZINC001481346225 960816380 /nfs/dbraw/zinc/81/63/80/960816380.db2.gz TYJFAOWDEPNRBH-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)Cc1c(O)cc(OC)cc1OC ZINC001141028598 960821349 /nfs/dbraw/zinc/82/13/49/960821349.db2.gz WQWUOPDLZINBCB-UHFFFAOYSA-N 1 0 237.299 2.027 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)C1 ZINC001141159377 960896048 /nfs/dbraw/zinc/89/60/48/960896048.db2.gz FQOAKSLLIWLWAG-LLVKDONJSA-N 1 0 246.310 2.223 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cc(O)ccc1O ZINC001141159681 960897632 /nfs/dbraw/zinc/89/76/32/960897632.db2.gz JHQIQDAUAZXYBJ-UHFFFAOYSA-N 1 0 219.284 2.272 20 30 BEEDRO CCN(CC[NH+](C)C)Cc1ccc(F)cc1C#N ZINC001141163102 960904045 /nfs/dbraw/zinc/90/40/45/960904045.db2.gz PDXPLMHTFBRJKU-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)/C(C)=C\CC ZINC001268055604 961089370 /nfs/dbraw/zinc/08/93/70/961089370.db2.gz SVUGLVZHUMPJSY-FSBNRTBOSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)C1CC1 ZINC001268098020 961225653 /nfs/dbraw/zinc/22/56/53/961225653.db2.gz NDXXUTSWOQOHKY-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]C(C)C)[C@H](C)C1 ZINC001268131779 961267797 /nfs/dbraw/zinc/26/77/97/961267797.db2.gz VREDRVJADDDQFC-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@](C)=O ZINC000692215757 961351833 /nfs/dbraw/zinc/35/18/33/961351833.db2.gz SEWIDJIHMLGKRR-XUJVJEKNSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)CC1CC1)C(C)C ZINC001268203422 961416955 /nfs/dbraw/zinc/41/69/55/961416955.db2.gz AHPKLDKUUXPFSV-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H](CNC(=O)CC)C(C)C ZINC001268206370 961426605 /nfs/dbraw/zinc/42/66/05/961426605.db2.gz RDDWFEIMHRUGCB-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001481667887 961543870 /nfs/dbraw/zinc/54/38/70/961543870.db2.gz MDOCIUPLJCGEKL-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCCC)C1 ZINC001481701262 961590279 /nfs/dbraw/zinc/59/02/79/961590279.db2.gz HYUMZEOTUFLFCH-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@H](O[C@H]1C[NH+]2CCC1CC2)c1ccccc1 ZINC001223708315 961613501 /nfs/dbraw/zinc/61/35/01/961613501.db2.gz BJXXREVNNLLIFW-GJZGRUSLSA-N 1 0 242.322 2.362 20 30 BEEDRO N#Cc1cc(F)cc(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001139873628 961818923 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/nfs/dbraw/zinc/95/54/52/961955452.db2.gz IDQUDAYMTJWOJT-KBPBESRZSA-N 1 0 223.360 2.130 20 30 BEEDRO Cc1ccnc(N[C@@H](C[NH3+])C(C)(C)C)c1C#N ZINC000302262917 961980940 /nfs/dbraw/zinc/98/09/40/961980940.db2.gz FLVIZXKCYPCJSI-NSHDSACASA-N 1 0 232.331 2.047 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@H](C)c1ccccc1 ZINC001149980043 962139952 /nfs/dbraw/zinc/13/99/52/962139952.db2.gz DGSYFDDGHZHLBR-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H](C)C[NH2+]CCC ZINC001482146145 962179168 /nfs/dbraw/zinc/17/91/68/962179168.db2.gz CIAXZTSZNGQRSK-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C ZINC001482161509 962183112 /nfs/dbraw/zinc/18/31/12/962183112.db2.gz HRMCHCWOBDCYAZ-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)C[NH2+]C(C)C)CCC1 ZINC001268702639 962297528 /nfs/dbraw/zinc/29/75/28/962297528.db2.gz DBXOEMCBOPSTAE-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)(CC)CC ZINC001151600586 962313915 /nfs/dbraw/zinc/31/39/15/962313915.db2.gz MUOVVDCRHJYXMX-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC ZINC001268729469 962314923 /nfs/dbraw/zinc/31/49/23/962314923.db2.gz NIHDPFPZUWPCTM-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)c1ccccc1 ZINC001151648169 962316210 /nfs/dbraw/zinc/31/62/10/962316210.db2.gz FOWKNWOLFGQMSL-CYBMUJFWSA-N 1 0 246.354 2.313 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC ZINC001268729471 962321035 /nfs/dbraw/zinc/32/10/35/962321035.db2.gz NIHDPFPZUWPCTM-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)/C(C)=C\C ZINC001225592533 962359422 /nfs/dbraw/zinc/35/94/22/962359422.db2.gz KXZDMGVFGLTKBW-WNIKWDQDSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)=C(C)C ZINC001152723550 962465811 /nfs/dbraw/zinc/46/58/11/962465811.db2.gz IFEKJEBOCWOSGO-LLVKDONJSA-N 1 0 242.338 2.262 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CCC)C1 ZINC001269227310 962556415 /nfs/dbraw/zinc/55/64/15/962556415.db2.gz KDHMSGVPBUYWOA-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](CCC)C1 ZINC001269264144 962571432 /nfs/dbraw/zinc/57/14/32/962571432.db2.gz WAODMWWCMROOTK-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)c1cc[nH]c1 ZINC001153533467 962592342 /nfs/dbraw/zinc/59/23/42/962592342.db2.gz SOPWKRHZNSAKQC-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1CCC1 ZINC001269361104 962620810 /nfs/dbraw/zinc/62/08/10/962620810.db2.gz QLHJXNQQLMGZJM-LLVKDONJSA-N 1 0 244.766 2.023 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)CC ZINC001269371232 962628936 /nfs/dbraw/zinc/62/89/36/962628936.db2.gz DDBYHRDRCJIQJR-ONGXEEELSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC=CCC1 ZINC001269371727 962635776 /nfs/dbraw/zinc/63/57/76/962635776.db2.gz MXOZRUXIDXKOPM-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC1(C(=O)NCC[NH2+]C(C)C)CCCC1 ZINC001153809419 962640089 /nfs/dbraw/zinc/64/00/89/962640089.db2.gz METNIMFEBFDMJK-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C1(C)CC1 ZINC001269409239 962661638 /nfs/dbraw/zinc/66/16/38/962661638.db2.gz YAHWEYOBYVECFG-SNVBAGLBSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCCC[N@@H+]1CCNC[C@H]1Cc1ccccc1 ZINC000711325069 962683453 /nfs/dbraw/zinc/68/34/53/962683453.db2.gz DDNHSMDEPHQFCQ-MRXNPFEDSA-N 1 0 244.382 2.469 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1CC ZINC001269471225 962684226 /nfs/dbraw/zinc/68/42/26/962684226.db2.gz HFTWDKIGLXWOKL-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C1CCCC1 ZINC001154086924 962704282 /nfs/dbraw/zinc/70/42/82/962704282.db2.gz MTHOAAMKYIPUJE-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCC ZINC001154155718 962723660 /nfs/dbraw/zinc/72/36/60/962723660.db2.gz STCCIKPUSLLKNL-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)c1cccc(C)c1 ZINC001154336796 962754790 /nfs/dbraw/zinc/75/47/90/962754790.db2.gz IOTLXDDSSRDHEC-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254654036 1169814645 /nfs/dbraw/zinc/81/46/45/1169814645.db2.gz RODHFUKAWPTKEB-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1CC=CCC1 ZINC001154539363 962793448 /nfs/dbraw/zinc/79/34/48/962793448.db2.gz DWCDXYSDYYEXRC-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254654034 1169813785 /nfs/dbraw/zinc/81/37/85/1169813785.db2.gz RODHFUKAWPTKEB-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1C ZINC001154614855 962812411 /nfs/dbraw/zinc/81/24/11/962812411.db2.gz HOMWXIDQZXFUOL-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CC(C)(C)C ZINC001154667029 962827861 /nfs/dbraw/zinc/82/78/61/962827861.db2.gz GRPBGHGUWPYVNK-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001154677822 962834001 /nfs/dbraw/zinc/83/40/01/962834001.db2.gz VJUIJVQMPLNTIR-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)/C(C)=C/CC ZINC001270016298 962841102 /nfs/dbraw/zinc/84/11/02/962841102.db2.gz QEXINIFPDVMNNH-WHGQRRHOSA-N 1 0 236.359 2.109 20 30 BEEDRO Cc1ccc(CC#N)c(N[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC001154988141 962931397 /nfs/dbraw/zinc/93/13/97/962931397.db2.gz PELDWLKRHPCXBU-CHWSQXEVSA-N 1 0 244.342 2.138 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712819254 962985007 /nfs/dbraw/zinc/98/50/07/962985007.db2.gz UEBMMJPSLJWVQE-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO Cc1ccc([C@@H](CO)[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC001254652930 1169816998 /nfs/dbraw/zinc/81/69/98/1169816998.db2.gz IISKSHPJRAHOFX-VHDGCEQUSA-N 1 0 244.338 2.310 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C(C)=C\CC ZINC001155319713 963046820 /nfs/dbraw/zinc/04/68/20/963046820.db2.gz VXWBXNJICCSXPJ-WQLSENKSSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000880130052 963048491 /nfs/dbraw/zinc/04/84/91/963048491.db2.gz BUFXIZXEVSIRRA-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO CC[C@H](C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167973090 963052654 /nfs/dbraw/zinc/05/26/54/963052654.db2.gz GHLBDPTYHVZBMX-FFHGMXDLSA-N 1 0 247.386 2.284 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)c2ccco2)CCCC1 ZINC001270707081 963084049 /nfs/dbraw/zinc/08/40/49/963084049.db2.gz KLFOMCAFQSZRGY-UHFFFAOYSA-N 1 0 248.326 2.098 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@H](C)CCC ZINC001155522923 963096628 /nfs/dbraw/zinc/09/66/28/963096628.db2.gz CDNGSGGDPYYLAO-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@@H](C)CCC ZINC001155524387 963098014 /nfs/dbraw/zinc/09/80/14/963098014.db2.gz ZIWXULFKLBFLCJ-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C[NH+](C)CCNc1ccc(C#N)c2[nH]ccc21 ZINC001161670913 963108497 /nfs/dbraw/zinc/10/84/97/963108497.db2.gz GBVNWTUUGRBKMY-UHFFFAOYSA-N 1 0 228.299 2.013 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C=C/C(C)(C)C ZINC001155837025 963183970 /nfs/dbraw/zinc/18/39/70/963183970.db2.gz UTCRWCQSKLKYLA-CMDGGOBGSA-N 1 0 238.375 2.261 20 30 BEEDRO CCN(CC[NH+]1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254670652 1169820692 /nfs/dbraw/zinc/82/06/92/1169820692.db2.gz KLBUBYZTTWEPML-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H]1CC ZINC001087805909 963408874 /nfs/dbraw/zinc/40/88/74/963408874.db2.gz BVFMSRUHWQIZDJ-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000895562512 963434918 /nfs/dbraw/zinc/43/49/18/963434918.db2.gz IOMNDHGGGVRZOG-LLVKDONJSA-N 1 0 245.351 2.241 20 30 BEEDRO C#CC1([NH2+]Cc2cc(OC)ccc2O)CCCC1 ZINC000895675742 963440073 /nfs/dbraw/zinc/44/00/73/963440073.db2.gz VSZUCYHHKXPXKC-UHFFFAOYSA-N 1 0 245.322 2.436 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](CC(C)C)NC(C)=O ZINC001271238219 963493507 /nfs/dbraw/zinc/49/35/07/963493507.db2.gz NPEIJWIDFYUIDG-CYBMUJFWSA-N 1 0 226.364 2.093 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cccc(N)[nH+]2)CC1 ZINC001157049545 963517115 /nfs/dbraw/zinc/51/71/15/963517115.db2.gz DTGUFMWEVBSOHA-MGCOHNPYSA-N 1 0 216.288 2.158 20 30 BEEDRO C#CC[N@H+](Cc1cccc(F)c1N)C(C)C ZINC000688802427 963536410 /nfs/dbraw/zinc/53/64/10/963536410.db2.gz UOVGZXCGILKPJC-UHFFFAOYSA-N 1 0 220.291 2.252 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](CCC)C1CCC1 ZINC000320634655 963584009 /nfs/dbraw/zinc/58/40/09/963584009.db2.gz LJYDSXFXKRSJJE-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](CCC)C1CCC1 ZINC000320634656 963584532 /nfs/dbraw/zinc/58/45/32/963584532.db2.gz LJYDSXFXKRSJJE-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(Cl)CN(C)C[C@H]1CCCCN1C(C)=O ZINC001157401115 963594960 /nfs/dbraw/zinc/59/49/60/963594960.db2.gz XAHONYJGPNMRRP-GFCCVEGCSA-N 1 0 244.766 2.072 20 30 BEEDRO C=CCC[N@@H+](C)CCC1CCN(C(C)=O)CC1 ZINC001482498309 963598247 /nfs/dbraw/zinc/59/82/47/963598247.db2.gz HCOJHCIZZDMQPR-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)C(=O)OCCNc1cnc(C)c(C)c1 ZINC001168071893 963603197 /nfs/dbraw/zinc/60/31/97/963603197.db2.gz HUNXEUHALOSLCQ-UHFFFAOYSA-N 1 0 234.299 2.230 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001482555556 963712002 /nfs/dbraw/zinc/71/20/02/963712002.db2.gz VUOHOGIAYZLHNL-OCCSQVGLSA-N 1 0 240.391 2.339 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCO[C@H](C)C2)CCCCC1 ZINC001168103685 963717102 /nfs/dbraw/zinc/71/71/02/963717102.db2.gz RQAZIOOFKQCUCD-CHWSQXEVSA-N 1 0 221.344 2.480 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCO[C@@H](C)C2)CCCCC1 ZINC001168103687 963719520 /nfs/dbraw/zinc/71/95/20/963719520.db2.gz RQAZIOOFKQCUCD-QWHCGFSZSA-N 1 0 221.344 2.480 20 30 BEEDRO C=CCN(c1cc(C[NH3+])ncn1)C1CCCCC1 ZINC001157851055 963743631 /nfs/dbraw/zinc/74/36/31/963743631.db2.gz YKHFYJYUQQLBIY-UHFFFAOYSA-N 1 0 246.358 2.260 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)C)C(C)C ZINC001482565553 963759640 /nfs/dbraw/zinc/75/96/40/963759640.db2.gz ITCVIPQIQYDJCK-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C1(C)CC1 ZINC001158542512 963884303 /nfs/dbraw/zinc/88/43/03/963884303.db2.gz INMHIYFZSZIVNY-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[NH+](C)CCC(C)(C)Nc1ncccc1C#N ZINC001158754482 963913480 /nfs/dbraw/zinc/91/34/80/963913480.db2.gz XMVDZTKXGRCGKN-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(N)c(C)c[nH+]1 ZINC001158743389 963913489 /nfs/dbraw/zinc/91/34/89/963913489.db2.gz VCGPPTSOJOAKGC-LBPRGKRZSA-N 1 0 203.289 2.186 20 30 BEEDRO Cc1cnc(NC(C)(C)CC[NH+](C)C)c(C#N)c1 ZINC001158753666 963913695 /nfs/dbraw/zinc/91/36/95/963913695.db2.gz HECFXYLXMYUEIW-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001158742777 963915128 /nfs/dbraw/zinc/91/51/28/963915128.db2.gz KXKAXADAVYKQCO-CQSZACIVSA-N 1 0 240.310 2.481 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC[C@H](C)F ZINC001159032487 963981059 /nfs/dbraw/zinc/98/10/59/963981059.db2.gz IJARKSLDJROCTN-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]CCCCC#N)C2 ZINC001168236411 964016944 /nfs/dbraw/zinc/01/69/44/964016944.db2.gz WMTWJNZEFAHBLG-CQSZACIVSA-N 1 0 244.338 2.446 20 30 BEEDRO C=CCCC(=O)NCCC1=CC[N@H+](CC)CC1 ZINC001159544616 964121885 /nfs/dbraw/zinc/12/18/85/964121885.db2.gz VGVHPTHIRLREDH-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000302580584 964123861 /nfs/dbraw/zinc/12/38/61/964123861.db2.gz FCXJKJFVKXLITG-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO C#CCOc1ccc(NC2=C[NH2+]CCC2)cc1 ZINC001159712217 964161238 /nfs/dbraw/zinc/16/12/38/964161238.db2.gz IQXRSWOSSOZUIP-UHFFFAOYSA-N 1 0 228.295 2.335 20 30 BEEDRO C=CC[N@H+]1CC=C(CCNC(=O)/C(C)=C\C)CC1 ZINC001159752849 964184432 /nfs/dbraw/zinc/18/44/32/964184432.db2.gz KTCQXZVKUCPPAM-ACAGNQJTSA-N 1 0 248.370 2.277 20 30 BEEDRO Cc1cc(C#N)c(F)cc1NC1=CCC[NH2+]C1 ZINC001159850308 964212264 /nfs/dbraw/zinc/21/22/64/964212264.db2.gz GWXUBMKPVDXEOG-UHFFFAOYSA-N 1 0 231.274 2.295 20 30 BEEDRO COc1cc(C#N)c(F)cc1NC1=C[NH2+]CCC1 ZINC001159850289 964213066 /nfs/dbraw/zinc/21/30/66/964213066.db2.gz GETNAWDUNRRRLQ-UHFFFAOYSA-N 1 0 247.273 2.343 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)c1ccsc1 ZINC001482809238 964216289 /nfs/dbraw/zinc/21/62/89/964216289.db2.gz SQYHEHXERHDEMG-JTQLQIEISA-N 1 0 238.356 2.032 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)C1CC1 ZINC001482861943 964222858 /nfs/dbraw/zinc/22/28/58/964222858.db2.gz JUKBBHZQVOPODP-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001482859773 964223224 /nfs/dbraw/zinc/22/32/24/964223224.db2.gz AKZKIARRHOQZJL-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC(C)(C)C(=O)N(CC)CC[NH2+]C(C)C ZINC001482943503 964248617 /nfs/dbraw/zinc/24/86/17/964248617.db2.gz IISWCDMGZGOMOZ-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)CC1CC1 ZINC001482976459 964274168 /nfs/dbraw/zinc/27/41/68/964274168.db2.gz QYECBQKDQKYQCU-ARJAWSKDSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)c1coc(C)c1 ZINC001483001408 964296415 /nfs/dbraw/zinc/29/64/15/964296415.db2.gz CUYFLAXRVOMLMY-SNAWJCMRSA-N 1 0 248.326 2.040 20 30 BEEDRO COc1ccc2c(c1)C[C@@H](N1CC[C@@H](C#N)C1)C2 ZINC001168281410 964331571 /nfs/dbraw/zinc/33/15/71/964331571.db2.gz CMUTVVJPACJFGP-FZMZJTMJSA-N 1 0 242.322 2.008 20 30 BEEDRO CC(C)[NH+]1CC(Nc2cc(F)cc(CC#N)c2)C1 ZINC001168316919 964432157 /nfs/dbraw/zinc/43/21/57/964432157.db2.gz ADAKKHSJRHBVPP-UHFFFAOYSA-N 1 0 247.317 2.396 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1cc(F)ccn1 ZINC001160953127 964455080 /nfs/dbraw/zinc/45/50/80/964455080.db2.gz RZIPCMIGJBDHHC-LBPRGKRZSA-N 1 0 235.306 2.283 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1cc(C)ccn1 ZINC001160951277 964455503 /nfs/dbraw/zinc/45/55/03/964455503.db2.gz COENUISKVWQYQM-ZDUSSCGKSA-N 1 0 231.343 2.452 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])C1CCCCC1 ZINC001161247459 964561599 /nfs/dbraw/zinc/56/15/99/964561599.db2.gz BAXIDVLAFRFCBJ-STQMWFEESA-N 1 0 236.359 2.071 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCC#N ZINC001224379197 964604346 /nfs/dbraw/zinc/60/43/46/964604346.db2.gz UGUGNBAGHOHQEH-UKRRQHHQSA-N 1 0 244.338 2.437 20 30 BEEDRO CCCCCCC[C@@H](C)C(=O)N1CC[NH2+]C1 ZINC001161418806 964604516 /nfs/dbraw/zinc/60/45/16/964604516.db2.gz QSZJKQGNCVFRFN-GFCCVEGCSA-N 1 0 226.364 2.372 20 30 BEEDRO C[C@H](CCNCc1ccc(C#N)cc1F)[NH+](C)C ZINC000697906725 964673927 /nfs/dbraw/zinc/67/39/27/964673927.db2.gz ZXFKVNGGRIJQKX-LLVKDONJSA-N 1 0 249.333 2.127 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256895232 1169848464 /nfs/dbraw/zinc/84/84/64/1169848464.db2.gz SJFCXGXQQIDMPA-AWEZNQCLSA-N 1 0 234.387 2.396 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC ZINC001483132021 964748306 /nfs/dbraw/zinc/74/83/06/964748306.db2.gz WLBDIWAJDSBXIK-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C/C(C)=C/CC(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001483156748 964789653 /nfs/dbraw/zinc/78/96/53/964789653.db2.gz SYMONRZXHDPUJS-BWODNOAJSA-N 1 0 236.359 2.179 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001483158070 964792769 /nfs/dbraw/zinc/79/27/69/964792769.db2.gz HEJUNHNOQBAYNT-OLZOCXBDSA-N 1 0 238.375 2.259 20 30 BEEDRO N#CC1CCC([N@@H+]2CCCC(=O)CC2)CC1 ZINC001256963000 1169848081 /nfs/dbraw/zinc/84/80/81/1169848081.db2.gz AOXZXPLOTGWCEO-UHFFFAOYSA-N 1 0 220.316 2.124 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccsc1 ZINC001483207010 964827824 /nfs/dbraw/zinc/82/78/24/964827824.db2.gz WHQKNJVSXAQAGQ-JTQLQIEISA-N 1 0 238.356 2.032 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CSC1 ZINC000697978052 964832499 /nfs/dbraw/zinc/83/24/99/964832499.db2.gz FECKKBVDTDBCAV-VIFPVBQESA-N 1 0 212.362 2.267 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CSC1 ZINC000697978051 964832200 /nfs/dbraw/zinc/83/22/00/964832200.db2.gz FECKKBVDTDBCAV-SECBINFHSA-N 1 0 212.362 2.267 20 30 BEEDRO COc1cc(C[NH2+]CC2CSC2)ccc1C#N ZINC000698001929 964860100 /nfs/dbraw/zinc/86/01/00/964860100.db2.gz BUQALILJIKOMKE-UHFFFAOYSA-N 1 0 248.351 2.019 20 30 BEEDRO C=Cc1ccc(NC2(C#N)CC[NH+](C)CC2)nc1 ZINC001162231909 964885349 /nfs/dbraw/zinc/88/53/49/964885349.db2.gz STBMNLQOFKAHAU-UHFFFAOYSA-N 1 0 242.326 2.124 20 30 BEEDRO C[N+](C)(C)CCO[C@H](C#N)c1ccccc1F ZINC001224774866 964938959 /nfs/dbraw/zinc/93/89/59/964938959.db2.gz ZZBBNHFVYWZKIH-CYBMUJFWSA-N 1 0 237.298 2.113 20 30 BEEDRO Cc1cc(NCC2(C#N)CCC2)cc(C)[nH+]1 ZINC001162411941 964951550 /nfs/dbraw/zinc/95/15/50/964951550.db2.gz HJPWMJYBMQHEMO-UHFFFAOYSA-N 1 0 215.300 2.226 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC ZINC001483381411 964997888 /nfs/dbraw/zinc/99/78/88/964997888.db2.gz YKHYVEXBWXXVGU-JSGCOSHPSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(Cl)C[NH2+]CCCN(C)C(=O)CCCC ZINC001483452955 965014136 /nfs/dbraw/zinc/01/41/36/965014136.db2.gz PHOCBLOQLJEZFQ-UHFFFAOYSA-N 1 0 246.782 2.367 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001483474532 965018367 /nfs/dbraw/zinc/01/83/67/965018367.db2.gz LSLPAURPNBCBRP-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C[C@@H]1C[C@@H](CNc2cc(C#N)ccc2F)C[NH2+]1 ZINC001162557800 965049332 /nfs/dbraw/zinc/04/93/32/965049332.db2.gz JOJCVDYJRCXWSD-MWLCHTKSSA-N 1 0 233.290 2.107 20 30 BEEDRO C/C(=N\O)c1ccc(NC[C@H]2C[NH2+][C@H](C)C2)cc1 ZINC001162562404 965051188 /nfs/dbraw/zinc/05/11/88/965051188.db2.gz IZKNMSYGOSJCEZ-IRVPYBMHSA-N 1 0 247.342 2.295 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000698158304 965071417 /nfs/dbraw/zinc/07/14/17/965071417.db2.gz TZMAVXOUEIVIJT-KGLIPLIRSA-N 1 0 243.391 2.165 20 30 BEEDRO CC1(CC[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000698170180 965077129 /nfs/dbraw/zinc/07/71/29/965077129.db2.gz HHULCRDXJAACIL-AWEZNQCLSA-N 1 0 244.338 2.371 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OCC[NH+](CC)CC ZINC001224928869 965103025 /nfs/dbraw/zinc/10/30/25/965103025.db2.gz XHZXOMNRHYLUID-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO Cc1cc(N[C@@H]2CC[NH2+][C@@H]2C)ccc1CC#N ZINC001162677868 965109664 /nfs/dbraw/zinc/10/96/64/965109664.db2.gz TZSADKINOZLDNE-BXUZGUMPSA-N 1 0 229.327 2.223 20 30 BEEDRO N#C[C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387826 965114694 /nfs/dbraw/zinc/11/46/94/965114694.db2.gz VVELWHUVRJBFET-AWEZNQCLSA-N 1 0 247.386 2.096 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CCCC)C[C@H]1C ZINC001105839749 965211657 /nfs/dbraw/zinc/21/16/57/965211657.db2.gz GVZMKHSFZPBUBV-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1COCC1(C)C ZINC000696079132 965232981 /nfs/dbraw/zinc/23/29/81/965232981.db2.gz NHQRHTKJARTDGR-LLVKDONJSA-N 1 0 229.389 2.310 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H](COC)C(C)C ZINC000721735009 965248268 /nfs/dbraw/zinc/24/82/68/965248268.db2.gz TYYNASQQZNIMJH-STQMWFEESA-N 1 0 226.364 2.387 20 30 BEEDRO CC[N@@H+](C[C@H](COC)C(C)C)C[C@H](C)C#N ZINC000721735002 965249757 /nfs/dbraw/zinc/24/97/57/965249757.db2.gz TYYNASQQZNIMJH-CHWSQXEVSA-N 1 0 226.364 2.387 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(CCNC(C)=O)CC1 ZINC001163067479 965251328 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/nfs/dbraw/zinc/00/07/05/967000705.db2.gz RWLQFWQZIYPWEU-UHFFFAOYSA-N 1 0 225.408 2.372 20 30 BEEDRO C=CCC[NH2+]CC1CCN(C(=O)C(C)C)CC1 ZINC001204526536 967024275 /nfs/dbraw/zinc/02/42/75/967024275.db2.gz DTZRNOUVTBNYTM-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC001204800477 967174238 /nfs/dbraw/zinc/17/42/38/967174238.db2.gz DKDTZTKTNOTFFY-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CCOC1CCN(c2cc[nH+]cc2)CC1 ZINC001205031718 967204625 /nfs/dbraw/zinc/20/46/25/967204625.db2.gz HWNMAQUMYJELJF-UHFFFAOYSA-N 1 0 218.300 2.253 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC(C)(C)CC ZINC001128147697 967252665 /nfs/dbraw/zinc/25/26/65/967252665.db2.gz AQKAQKWXABLXDE-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCC[C@@H](C)CCC ZINC001128151956 967270410 /nfs/dbraw/zinc/27/04/10/967270410.db2.gz DKCFRZPFSLXMDU-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CC(C)(C)C ZINC001485850432 967292966 /nfs/dbraw/zinc/29/29/66/967292966.db2.gz VCESPOINOIBSFC-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]CCC(=C)C ZINC001485853345 967295298 /nfs/dbraw/zinc/29/52/98/967295298.db2.gz LHGBUFFUWVUVDD-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]Cc1csc(C#N)c1 ZINC000921847117 967315931 /nfs/dbraw/zinc/31/59/31/967315931.db2.gz ACNSVNHXTHAZQB-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO C#CCN1CC[NH+](Cc2cccc(C)c2C)CC1 ZINC001205088835 967340748 /nfs/dbraw/zinc/34/07/48/967340748.db2.gz KFZCMLCKECNGEO-UHFFFAOYSA-N 1 0 242.366 2.054 20 30 BEEDRO C[C@H](Nc1cc[nH+]c(CC#N)c1)C(C)(C)C ZINC001168686794 967345801 /nfs/dbraw/zinc/34/58/01/967345801.db2.gz ZRUQCGGCNNQUNK-JTQLQIEISA-N 1 0 217.316 2.416 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CCC)[C@H]1C ZINC001486077421 967346307 /nfs/dbraw/zinc/34/63/07/967346307.db2.gz CCTNSAFGZWALCI-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168693022 967394751 /nfs/dbraw/zinc/39/47/51/967394751.db2.gz BSRXOVSXMNXYRZ-GXSJLCMTSA-N 1 0 219.715 2.419 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(C)(C)C(=C)Cl ZINC001128184234 967412956 /nfs/dbraw/zinc/41/29/56/967412956.db2.gz BEZXRUAVQBMCKG-UHFFFAOYSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCC[N@@H+](CCNC(=O)[C@H](C)CC)C1CC1 ZINC001317548544 1169906906 /nfs/dbraw/zinc/90/69/06/1169906906.db2.gz YIRCHBLNDQMLRI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CCCC ZINC001128245660 967440414 /nfs/dbraw/zinc/44/04/14/967440414.db2.gz FDRDSLNEAHUHFL-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC(N[C@H](C)CCCC(C)(C)O)=[NH+]COC ZINC001168699216 967448988 /nfs/dbraw/zinc/44/89/88/967448988.db2.gz RJUSLWIVKBKMMC-LLVKDONJSA-N 1 0 242.363 2.094 20 30 BEEDRO CCc1cc(CC[NH+](C)C)ccc1C#N ZINC001250162217 967456719 /nfs/dbraw/zinc/45/67/19/967456719.db2.gz NQPFBROFDBQVOL-UHFFFAOYSA-N 1 0 202.301 2.225 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C2CC=CC2)CCC1 ZINC001273062020 967697036 /nfs/dbraw/zinc/69/70/36/967697036.db2.gz SUVUYHMZSYWDHI-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168744885 967721736 /nfs/dbraw/zinc/72/17/36/967721736.db2.gz SIDJRVMOZWJKJR-CYBMUJFWSA-N 1 0 243.737 2.376 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](C)[C@H](NC(C)=O)C1 ZINC001205694215 967786100 /nfs/dbraw/zinc/78/61/00/967786100.db2.gz ASYVSDCZCBUCPY-TZMCWYRMSA-N 1 0 240.391 2.413 20 30 BEEDRO COC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1CC1 ZINC000695778012 967806042 /nfs/dbraw/zinc/80/60/42/967806042.db2.gz JZJZCXGLKWUVFW-PWSUYJOCSA-N 1 0 224.348 2.329 20 30 BEEDRO CC[C@](C)(CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695785721 967807662 /nfs/dbraw/zinc/80/76/62/967807662.db2.gz FUUKHXHVKWZZLA-ZYHUDNBSSA-N 1 0 212.337 2.065 20 30 BEEDRO C[N@@H+]1CCC[C@](C)(Nc2cc(CC#N)ccn2)C1 ZINC001162337456 967807892 /nfs/dbraw/zinc/80/78/92/967807892.db2.gz OYZDREMAEOFSOG-AWEZNQCLSA-N 1 0 244.342 2.044 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033794704 967811275 /nfs/dbraw/zinc/81/12/75/967811275.db2.gz GQWQNXFGOJVQBI-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO [NH3+][C@H]1CCC[C@H](Nc2cccc(/C=N/O)c2)C1 ZINC001162401723 967828986 /nfs/dbraw/zinc/82/89/86/967828986.db2.gz MLIMKEZTIQAFJP-KQAANWFRSA-N 1 0 233.315 2.177 20 30 BEEDRO C#Cc1cccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])c1 ZINC001205828772 967843291 /nfs/dbraw/zinc/84/32/91/967843291.db2.gz MYUDZGPUAUUYBS-BBRMVZONSA-N 1 0 242.366 2.227 20 30 BEEDRO Cc1cc(CC#N)ccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162478230 967844595 /nfs/dbraw/zinc/84/45/95/967844595.db2.gz ZJXBMFPSZVSRPD-STQMWFEESA-N 1 0 247.317 2.173 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCCC2CCCCC2)N1 ZINC000703236089 967846187 /nfs/dbraw/zinc/84/61/87/967846187.db2.gz FSBAKPKQBNUMHC-NSHDSACASA-N 1 0 223.364 2.284 20 30 BEEDRO C[C@@H]1CN(Cc2cc(F)cc(C#N)c2)CCCO1 ZINC000163604985 967853996 /nfs/dbraw/zinc/85/39/96/967853996.db2.gz QUUNYBYDSHUUSI-LLVKDONJSA-N 1 0 248.301 2.308 20 30 BEEDRO C[NH2+]C(C)(C)c1nc(-c2cccc(C#N)c2)no1 ZINC001206010304 967958432 /nfs/dbraw/zinc/95/84/32/967958432.db2.gz JIBIJUPYARWBRC-UHFFFAOYSA-N 1 0 242.282 2.063 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001206022190 967980431 /nfs/dbraw/zinc/98/04/31/967980431.db2.gz PUFBUYGGHCLZAH-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCC(=O)NC1C[NH+](C[C@H](C)CC)C1 ZINC001494445852 968019929 /nfs/dbraw/zinc/01/99/29/968019929.db2.gz JAGYQEQOLXWBJV-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCNc1ccc(COC2CC[NH2+]CC2)cc1 ZINC001163368306 968028926 /nfs/dbraw/zinc/02/89/26/968028926.db2.gz VASQKLNDIOOBIO-UHFFFAOYSA-N 1 0 244.338 2.000 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001494638013 968043841 /nfs/dbraw/zinc/04/38/41/968043841.db2.gz PEWRJMYEKJQNEI-UBHSHLNASA-N 1 0 248.370 2.036 20 30 BEEDRO Cc1nc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)co1 ZINC001206074158 968044517 /nfs/dbraw/zinc/04/45/17/968044517.db2.gz NRSDFFHNLLFCSW-UOJUARBOSA-N 1 0 231.299 2.250 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(CC)CC)C1 ZINC001206116463 968070071 /nfs/dbraw/zinc/07/00/71/968070071.db2.gz YGCUQFHMQWSRQU-DGCLKSJQSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1cccc2[nH]c(C#N)cc21 ZINC001163776923 968119818 /nfs/dbraw/zinc/11/98/18/968119818.db2.gz OTESTLVJHAJTTH-JTQLQIEISA-N 1 0 242.326 2.402 20 30 BEEDRO Cc1cc(N[C@@H](C)C[NH+](C)C)ccc1CC#N ZINC001163783097 968120105 /nfs/dbraw/zinc/12/01/05/968120105.db2.gz YFIKVVMNRPRIIM-LBPRGKRZSA-N 1 0 231.343 2.423 20 30 BEEDRO COc1ccc(N[C@@H](C)C[NH+](C)C)c(CC#N)c1 ZINC001163782900 968121251 /nfs/dbraw/zinc/12/12/51/968121251.db2.gz UCOSUBUXUANSHM-NSHDSACASA-N 1 0 247.342 2.123 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2C=CCC2)cc1C#N ZINC000698306845 968175454 /nfs/dbraw/zinc/17/54/54/968175454.db2.gz MCFBFYUUWHNHMB-ZDUSSCGKSA-N 1 0 228.295 2.375 20 30 BEEDRO CC#Cc1cncc(N(CCC[NH3+])C(C)C)c1 ZINC001164127404 968176145 /nfs/dbraw/zinc/17/61/45/968176145.db2.gz VIFFFSRUHIYWMF-UHFFFAOYSA-N 1 0 231.343 2.017 20 30 BEEDRO C[N@H+]1CC=C(c2cc(C#N)ccc2F)CC1 ZINC001250633004 968177905 /nfs/dbraw/zinc/17/79/05/968177905.db2.gz VGOLWBMDBMHMRX-UHFFFAOYSA-N 1 0 216.259 2.416 20 30 BEEDRO CC(C)[C@H](C#N)c1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164286542 968217999 /nfs/dbraw/zinc/21/79/99/968217999.db2.gz RMRRPHNBICNZOE-HIFRSBDPSA-N 1 0 243.354 2.487 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001278630423 968261539 /nfs/dbraw/zinc/26/15/39/968261539.db2.gz IJQVGCZOGDBUFK-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO COC(=O)CC(C)(C)[N@H+](C)C[C@H](C)CCC#N ZINC001119295347 968311624 /nfs/dbraw/zinc/31/16/24/968311624.db2.gz AWKDVHIBTYGNOH-LLVKDONJSA-N 1 0 240.347 2.200 20 30 BEEDRO N#Cc1ccsc1Nc1cc[nH+]c(N)c1 ZINC001206522083 968351826 /nfs/dbraw/zinc/35/18/26/968351826.db2.gz IXYBIWTVKBSDTA-UHFFFAOYSA-N 1 0 216.269 2.341 20 30 BEEDRO N#Cc1ccc(Nc2cc[nH+]c(N)c2)s1 ZINC001206542811 968371724 /nfs/dbraw/zinc/37/17/24/968371724.db2.gz KITJJCFZIBJBPN-UHFFFAOYSA-N 1 0 216.269 2.341 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)CC1 ZINC001251991581 968426266 /nfs/dbraw/zinc/42/62/66/968426266.db2.gz XJEOVXGNRWYWLK-HIFRSBDPSA-N 1 0 244.338 2.346 20 30 BEEDRO CCC#C[C@H](C)OCC[NH+]1CCCCC1 ZINC001206710321 968436553 /nfs/dbraw/zinc/43/65/53/968436553.db2.gz YOCNLZJGEUKZEZ-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCOc1cccc(CN2CC(C)(C[NH3+])C2)c1 ZINC001206730767 968447805 /nfs/dbraw/zinc/44/78/05/968447805.db2.gz YVXWPGZMCQRWND-UHFFFAOYSA-N 1 0 246.354 2.032 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@@H](O)COCC ZINC001252025354 968450297 /nfs/dbraw/zinc/45/02/97/968450297.db2.gz BVGUOETXWRQVGH-CYBMUJFWSA-N 1 0 231.380 2.286 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2cc(F)ccc2C#N)C1 ZINC001230636901 968468969 /nfs/dbraw/zinc/46/89/69/968468969.db2.gz RBOSADJBAVAPIS-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCCSCC1 ZINC000822022983 968503028 /nfs/dbraw/zinc/50/30/28/968503028.db2.gz RNAGLISIYAYDNG-LLVKDONJSA-N 1 0 229.414 2.228 20 30 BEEDRO CCCC[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001252089561 968511778 /nfs/dbraw/zinc/51/17/78/968511778.db2.gz RMCBWMFFDSRZQI-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)c1ccc[nH]1 ZINC001273262120 968525894 /nfs/dbraw/zinc/52/58/94/968525894.db2.gz NWRYRWYXVFRAQH-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CCO)c1cccc(C#N)c1[O-] ZINC000822658674 968528735 /nfs/dbraw/zinc/52/87/35/968528735.db2.gz NYUNEOVEGDPUAZ-MFKMUULPSA-N 1 0 248.326 2.075 20 30 BEEDRO CC[C@@H]([NH2+][C@H](C)CCO)c1cccc(C#N)c1[O-] ZINC000822658675 968530231 /nfs/dbraw/zinc/53/02/31/968530231.db2.gz NYUNEOVEGDPUAZ-ZWNOBZJWSA-N 1 0 248.326 2.075 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]c1=O ZINC001207005924 968541533 /nfs/dbraw/zinc/54/15/33/968541533.db2.gz WFXHUNGSQBCPMJ-UOJUARBOSA-N 1 0 243.310 2.054 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000829773095 968571417 /nfs/dbraw/zinc/57/14/17/968571417.db2.gz ANBCBFQPBMOLJU-NSHDSACASA-N 1 0 220.341 2.378 20 30 BEEDRO Cc1ncc(C[NH+]2CCC(S)CC2)s1 ZINC001207061346 968591682 /nfs/dbraw/zinc/59/16/82/968591682.db2.gz OQNWNKZDHPAGGB-UHFFFAOYSA-N 1 0 228.386 2.346 20 30 BEEDRO CCCC[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC001252115389 968602624 /nfs/dbraw/zinc/60/26/24/968602624.db2.gz IPNQQDTVXABXKF-NSHDSACASA-N 1 0 238.356 2.260 20 30 BEEDRO CCCCCCCC[C@H](O)CNC=[NH2+] ZINC001252132717 968609035 /nfs/dbraw/zinc/60/90/35/968609035.db2.gz CAXSQTGWYLTEBU-NSHDSACASA-N 1 0 200.326 2.295 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C1CC(=O)C1 ZINC001252135572 968610357 /nfs/dbraw/zinc/61/03/57/968610357.db2.gz FRHVIGDVTWNYDT-ZDUSSCGKSA-N 1 0 241.375 2.419 20 30 BEEDRO N#CC1(c2ccc(C3=CCC[NH2+]C3)nc2)CC1 ZINC001240652589 968626651 /nfs/dbraw/zinc/62/66/51/968626651.db2.gz ZPGKAGNGQNJYDK-UHFFFAOYSA-N 1 0 225.295 2.013 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H](C)CC ZINC001154783010 968665662 /nfs/dbraw/zinc/66/56/62/968665662.db2.gz ZXPRSDQTBCNHHC-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(F)F ZINC001168770060 968672976 /nfs/dbraw/zinc/67/29/76/968672976.db2.gz VWZWIANNZABHJV-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC[NH2+]CCN(CC)C(=O)C1=CCCC1 ZINC001273323646 968678263 /nfs/dbraw/zinc/67/82/63/968678263.db2.gz APBCQYDLKBAIFJ-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CCN(CC[N@@H+](C)CC)C(=O)OC(C)(C)C ZINC001207199464 968683690 /nfs/dbraw/zinc/68/36/90/968683690.db2.gz LDRSKGPADBPMMO-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C=Cc1ccccc1C1(C#N)CC[NH2+]CC1 ZINC001240833420 968733008 /nfs/dbraw/zinc/73/30/08/968733008.db2.gz GOMMDMACGHJPHM-UHFFFAOYSA-N 1 0 212.296 2.474 20 30 BEEDRO C=C(C)c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1 ZINC001240834479 968745616 /nfs/dbraw/zinc/74/56/16/968745616.db2.gz AALQWNKTVBBARO-NSHDSACASA-N 1 0 228.299 2.187 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC001207394659 968751399 /nfs/dbraw/zinc/75/13/99/968751399.db2.gz TUCPHXKIYKREGA-ZBFHGGJFSA-N 1 0 245.366 2.462 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](CC)CCCC ZINC001154917793 968757574 /nfs/dbraw/zinc/75/75/74/968757574.db2.gz YCQZDESCBBZZBO-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@](C)(O)CNc1ccc(C)nc1C ZINC001252538114 968769591 /nfs/dbraw/zinc/76/95/91/968769591.db2.gz BSJQVOAYZBCLBV-LBPRGKRZSA-N 1 0 206.289 2.047 20 30 BEEDRO N#CCN(Cc1ccccc1)CC1CC[NH2+]CC1 ZINC001207439394 968776112 /nfs/dbraw/zinc/77/61/12/968776112.db2.gz RKOBFVIBHPVYEJ-UHFFFAOYSA-N 1 0 243.354 2.012 20 30 BEEDRO C=C[C@](C)(O)CNc1cc[nH+]c(C2CC2)c1 ZINC001252546599 968783146 /nfs/dbraw/zinc/78/31/46/968783146.db2.gz AOBXCFDBJXURMG-ZDUSSCGKSA-N 1 0 218.300 2.308 20 30 BEEDRO Cc1ccc(CC#N)c(C=C2CC[NH2+]CC2)n1 ZINC001240873834 968786365 /nfs/dbraw/zinc/78/63/65/968786365.db2.gz IMOJBSLRNKNEIV-UHFFFAOYSA-N 1 0 227.311 2.223 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCOC1 ZINC001207467792 968788510 /nfs/dbraw/zinc/78/85/10/968788510.db2.gz RPUGJHRFWDVABI-XDQVBPFNSA-N 1 0 234.343 2.180 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC12CCCCC2 ZINC001252551224 968791855 /nfs/dbraw/zinc/79/18/55/968791855.db2.gz UBNAJRQOWMKNSO-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC001252555630 968795996 /nfs/dbraw/zinc/79/59/96/968795996.db2.gz ZFTIQEPVKWMPJO-HNNXBMFYSA-N 1 0 247.338 2.128 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCc1cccc(C)c1 ZINC001252555590 968796472 /nfs/dbraw/zinc/79/64/72/968796472.db2.gz YHKSXWDCBHUUGH-HNNXBMFYSA-N 1 0 233.355 2.406 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)CCc1ccccc1OC ZINC001252555510 968796677 /nfs/dbraw/zinc/79/66/77/968796677.db2.gz WSCVJUVIBJQHRC-HNNXBMFYSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001252554648 968796851 /nfs/dbraw/zinc/79/68/51/968796851.db2.gz JEIYIINMJTXTFD-LSDHHAIUSA-N 1 0 246.354 2.026 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001252554805 968797193 /nfs/dbraw/zinc/79/71/93/968797193.db2.gz LWXIQVFOGUQGSP-JKSUJKDBSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC(c2ccncc2)CC1 ZINC001252555646 968797417 /nfs/dbraw/zinc/79/74/17/968797417.db2.gz ZMLJOGNRCXQKTC-HNNXBMFYSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](CCC)CCc1ccccn1 ZINC001252560698 968806871 /nfs/dbraw/zinc/80/68/71/968806871.db2.gz VOQMCURZOKJBFH-HNNXBMFYSA-N 1 0 248.370 2.273 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC001252569274 968818366 /nfs/dbraw/zinc/81/83/66/968818366.db2.gz RAZMOGZHLARPBU-AVGNSLFASA-N 1 0 211.349 2.339 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179208 968820902 /nfs/dbraw/zinc/82/09/02/968820902.db2.gz LGHLIRUHLMQONJ-VXGBXAGGSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000829180003 968821154 /nfs/dbraw/zinc/82/11/54/968821154.db2.gz QPBDPGNRTLZUDD-QWHCGFSZSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccccc1Cl ZINC001252571418 968821283 /nfs/dbraw/zinc/82/12/83/968821283.db2.gz ISSSYIGAAJMNPF-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829180205 968821924 /nfs/dbraw/zinc/82/19/24/968821924.db2.gz SITZXLSTQKHIDO-LLVKDONJSA-N 1 0 226.364 2.455 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001252573144 968823448 /nfs/dbraw/zinc/82/34/48/968823448.db2.gz ZRIFHIVLTVAGGZ-LBPRGKRZSA-N 1 0 245.244 2.131 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001252574293 968824610 /nfs/dbraw/zinc/82/46/10/968824610.db2.gz NIPVVDJVKRJOFU-ZWNOBZJWSA-N 1 0 223.291 2.413 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC[C@H](C)CO ZINC000829178064 968826161 /nfs/dbraw/zinc/82/61/61/968826161.db2.gz AOGHTICCRYVMPO-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001252575545 968828089 /nfs/dbraw/zinc/82/80/89/968828089.db2.gz CJWGRTFCYVBHJH-MJBXVCDLSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCc1ccccc1F ZINC001252577105 968828120 /nfs/dbraw/zinc/82/81/20/968828120.db2.gz UEGGHBIJCLRQIR-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCC1=CCCCC1 ZINC001252576820 968828319 /nfs/dbraw/zinc/82/83/19/968828319.db2.gz OTGKRDKWNIHLJY-CYBMUJFWSA-N 1 0 209.333 2.404 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2OC ZINC001252576780 968828524 /nfs/dbraw/zinc/82/85/24/968828524.db2.gz OCEDHGROQKQKOZ-DZGCQCFKSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC001252578071 968831125 /nfs/dbraw/zinc/83/11/25/968831125.db2.gz BIJAQVZORCKMJJ-AWEZNQCLSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001252579033 968831278 /nfs/dbraw/zinc/83/12/78/968831278.db2.gz SRXPWJYGIYHHFP-RISCZKNCSA-N 1 0 235.327 2.022 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCOc2ccc(C)cc21 ZINC001252582859 968834910 /nfs/dbraw/zinc/83/49/10/968834910.db2.gz XWFRFOCWKCIPIS-DZGCQCFKSA-N 1 0 247.338 2.345 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cnc(C(C)C)s1 ZINC001252581515 968835359 /nfs/dbraw/zinc/83/53/59/968835359.db2.gz HKGRKDPEESHVJY-GFCCVEGCSA-N 1 0 240.372 2.293 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(CC(C)C)CCOCC1 ZINC001252581258 968835713 /nfs/dbraw/zinc/83/57/13/968835713.db2.gz ZCNOIOMPMSHBGG-CYBMUJFWSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2ccoc2c1 ZINC001252582482 968836004 /nfs/dbraw/zinc/83/60/04/968836004.db2.gz SLERNAXPQQOMQR-AWEZNQCLSA-N 1 0 231.295 2.459 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[NH2+]C(C)(C)C ZINC000706425290 968836355 /nfs/dbraw/zinc/83/63/55/968836355.db2.gz PWGQPCBLXXDUHF-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(OC)c1 ZINC001252586506 968840112 /nfs/dbraw/zinc/84/01/12/968840112.db2.gz JHPYXUFJCPFNJF-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C[C@@H]([NH2+]C[C@](C)(O)C=C)c1ccccc1 ZINC001252585680 968840168 /nfs/dbraw/zinc/84/01/68/968840168.db2.gz RPZRHWVMSPWFGP-ZIAGYGMSSA-N 1 0 217.312 2.440 20 30 BEEDRO C=CCC[C@H](O)CNc1cc(C)cc(C)[nH+]1 ZINC001252585861 968840376 /nfs/dbraw/zinc/84/03/76/968840376.db2.gz AGDRKQDFPNHIIB-LBPRGKRZSA-N 1 0 220.316 2.437 20 30 BEEDRO C=CCN1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207626288 968841649 /nfs/dbraw/zinc/84/16/49/968841649.db2.gz DKCHOUVHBHRUEV-RRFJBIMHSA-N 1 0 232.371 2.002 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCCC12CCC2 ZINC001252587752 968842935 /nfs/dbraw/zinc/84/29/35/968842935.db2.gz WSLWVZVVRJGIMP-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccccc1C ZINC001252588674 968845106 /nfs/dbraw/zinc/84/51/06/968845106.db2.gz DYCBFBZTLOGCFN-HNNXBMFYSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]([NH2+]CC(C)C)C1 ZINC001207628676 968845933 /nfs/dbraw/zinc/84/59/33/968845933.db2.gz JVNJNQGXLKBQET-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H]2[C@H](CCC2(F)F)C1 ZINC001252595598 968852882 /nfs/dbraw/zinc/85/28/82/968852882.db2.gz JFLZNXWGJVTKQU-UTUOFQBUSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001252596846 968856394 /nfs/dbraw/zinc/85/63/94/968856394.db2.gz VLUDSXWRUDCGCF-TUAOUCFPSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)OC ZINC001252600028 968857489 /nfs/dbraw/zinc/85/74/89/968857489.db2.gz UOSGWQPJFZJNEV-STQMWFEESA-N 1 0 241.375 2.203 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(Br)CC2)C1 ZINC001207712031 968860128 /nfs/dbraw/zinc/86/01/28/968860128.db2.gz SGYIUMOSGOAJEB-IUCAKERBSA-N 1 0 243.148 2.196 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](CC1CC1)C1CC1 ZINC001252602997 968861388 /nfs/dbraw/zinc/86/13/88/968861388.db2.gz ZDKCNVZTEGJJRS-CYBMUJFWSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001252612194 968867700 /nfs/dbraw/zinc/86/77/00/968867700.db2.gz KDJLTQFECNZOFV-GRYCIOLGSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(F)ccc1F ZINC001252611613 968868642 /nfs/dbraw/zinc/86/86/42/968868642.db2.gz CLDRWMLUAPJXBE-GFCCVEGCSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC001252612553 968870675 /nfs/dbraw/zinc/87/06/75/968870675.db2.gz OQJLBKQGGRATQS-GXTWGEPZSA-N 1 0 247.338 2.427 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001252616241 968874472 /nfs/dbraw/zinc/87/44/72/968874472.db2.gz MAHXUZLAPWGJAI-AWEZNQCLSA-N 1 0 247.338 2.038 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC001252616411 968874633 /nfs/dbraw/zinc/87/46/33/968874633.db2.gz OORYMCRHZDVTAM-KKUMJFAQSA-N 1 0 231.339 2.459 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)CCCC(C)(C)O ZINC001252615717 968875927 /nfs/dbraw/zinc/87/59/27/968875927.db2.gz DGQZIHJVGROFBJ-STQMWFEESA-N 1 0 243.391 2.233 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001252617574 968876840 /nfs/dbraw/zinc/87/68/40/968876840.db2.gz FXBIQQNOKCBXMA-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC001252617946 968878133 /nfs/dbraw/zinc/87/81/33/968878133.db2.gz NCZRUNUJZROLCJ-GHMZBOCLSA-N 1 0 233.302 2.481 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCC(F)(F)F ZINC001252619115 968879904 /nfs/dbraw/zinc/87/99/04/968879904.db2.gz BITKFSFOJBQNLG-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252620571 968880634 /nfs/dbraw/zinc/88/06/34/968880634.db2.gz XCCXQERVEGRFLM-CYBMUJFWSA-N 1 0 249.354 2.426 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001252618863 968880641 /nfs/dbraw/zinc/88/06/41/968880641.db2.gz HJZPDEZHGIJHEZ-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001252619184 968880769 /nfs/dbraw/zinc/88/07/69/968880769.db2.gz BTJSOOCFLJKCKU-DZGCQCFKSA-N 1 0 247.338 2.296 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001252620883 968881024 /nfs/dbraw/zinc/88/10/24/968881024.db2.gz QUGQDPMDQZBJQC-CYBMUJFWSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(Cc2cccnc2)CC1 ZINC001252623369 968882542 /nfs/dbraw/zinc/88/25/42/968882542.db2.gz JQAOTFTWXMXYJN-AWEZNQCLSA-N 1 0 246.354 2.073 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCc2cc(C)ncc21 ZINC001252622355 968882907 /nfs/dbraw/zinc/88/29/07/968882907.db2.gz SQAWHJPCRYKXQL-UKRRQHHQSA-N 1 0 246.354 2.294 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1Cc2ccccc2C1 ZINC001252621786 968882973 /nfs/dbraw/zinc/88/29/73/968882973.db2.gz IKGLLTCAQKYPDT-INIZCTEOSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)CC1CC1 ZINC001252621421 968883477 /nfs/dbraw/zinc/88/34/77/968883477.db2.gz BLRXGLGMOVAPIN-GFCCVEGCSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ncc(CC)o2)C1 ZINC000829784651 968898837 /nfs/dbraw/zinc/89/88/37/968898837.db2.gz LLIOQTQBPDAWKB-LBPRGKRZSA-N 1 0 232.327 2.472 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001086026459 968910597 /nfs/dbraw/zinc/91/05/97/968910597.db2.gz LTDHCSYCQQOSRI-MELADBBJSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C=C(\C)C1CC1 ZINC001155172031 968911842 /nfs/dbraw/zinc/91/18/42/968911842.db2.gz XDQJZRUMGLCTCL-FMIVXFBMSA-N 1 0 236.359 2.015 20 30 BEEDRO CCC[C@H](O)C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001252778217 968952176 /nfs/dbraw/zinc/95/21/76/968952176.db2.gz IEXVOMGCSRIOIC-HNNXBMFYSA-N 1 0 244.338 2.077 20 30 BEEDRO COc1ccc(C2=CC[N@H+](C)CC2)cc1CC#N ZINC001241319546 968975167 /nfs/dbraw/zinc/97/51/67/968975167.db2.gz MSQJXKWTNKSWMW-UHFFFAOYSA-N 1 0 242.322 2.480 20 30 BEEDRO CC(C)(S)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001252865198 969038936 /nfs/dbraw/zinc/03/89/36/969038936.db2.gz WNUUNVCVEOVTHJ-LLVKDONJSA-N 1 0 243.347 2.157 20 30 BEEDRO COc1ccc(C2=CCC[N@H+](C)C2)cc1CC#N ZINC001241569549 969063816 /nfs/dbraw/zinc/06/38/16/969063816.db2.gz GCNCAHRVICFTCA-UHFFFAOYSA-N 1 0 242.322 2.480 20 30 BEEDRO C[C@](O)(C[NH2+]CCCCC#N)c1ccccc1 ZINC001253116406 969088743 /nfs/dbraw/zinc/08/87/43/969088743.db2.gz IMCINGKTJCYRGY-AWEZNQCLSA-N 1 0 232.327 2.178 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCNC(=O)CC2)CC1 ZINC001208169571 969099237 /nfs/dbraw/zinc/09/92/37/969099237.db2.gz QHMVZZVQLJVABT-CQSZACIVSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCS ZINC001253246884 969118996 /nfs/dbraw/zinc/11/89/96/969118996.db2.gz DCBOSEOPRZPMDO-LBPRGKRZSA-N 1 0 231.405 2.393 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)(C)O ZINC001253247392 969120886 /nfs/dbraw/zinc/12/08/86/969120886.db2.gz YVNOBCQFBILCKZ-ZDUSSCGKSA-N 1 0 243.391 2.234 20 30 BEEDRO CC(C)c1ccc(C#N)c(N[C@@H](C)C[NH+](C)C)n1 ZINC001155914946 969124193 /nfs/dbraw/zinc/12/41/93/969124193.db2.gz NJBOTQLVJROREA-NSHDSACASA-N 1 0 246.358 2.439 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000165862282 969129965 /nfs/dbraw/zinc/12/99/65/969129965.db2.gz XSBGNTPGPTVEFI-ZUZCIYMTSA-N 1 0 223.341 2.088 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)CC)C1 ZINC001208464686 969139784 /nfs/dbraw/zinc/13/97/84/969139784.db2.gz MGXHSQOQARWQEZ-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168816818 969217396 /nfs/dbraw/zinc/21/73/96/969217396.db2.gz MLFHDLFKUXLFJD-QWRGUYRKSA-N 1 0 240.347 2.160 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCC(C)(C)C ZINC001168796462 969220986 /nfs/dbraw/zinc/22/09/86/969220986.db2.gz ZBJXXZQZZZTRFX-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)CCCCC ZINC001253561794 969232398 /nfs/dbraw/zinc/23/23/98/969232398.db2.gz ZICSSQZNDBLLDY-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(CC#N)cc2)CC1 ZINC001208837497 969248316 /nfs/dbraw/zinc/24/83/16/969248316.db2.gz JWNFQDZIXYTZFD-UHFFFAOYSA-N 1 0 227.311 2.384 20 30 BEEDRO COc1ccccc1CCC[NH+]1CC(CC#N)C1 ZINC001208835358 969250890 /nfs/dbraw/zinc/25/08/90/969250890.db2.gz KISVDUGUOFVMHR-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001253578776 969253820 /nfs/dbraw/zinc/25/38/20/969253820.db2.gz ICWBLFHJJQJHRX-KBPBESRZSA-N 1 0 249.379 2.323 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001253578508 969253884 /nfs/dbraw/zinc/25/38/84/969253884.db2.gz CQDVLGNUKBGGSS-NWDGAFQWSA-N 1 0 235.302 2.162 20 30 BEEDRO C[C@@H]1COCC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208844993 969254186 /nfs/dbraw/zinc/25/41/86/969254186.db2.gz NCSSMVCHYWNFAB-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001253580947 969255626 /nfs/dbraw/zinc/25/56/26/969255626.db2.gz BCRLIHUGNAIYEZ-GXTWGEPZSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001253580839 969256140 /nfs/dbraw/zinc/25/61/40/969256140.db2.gz FLKCXNUMVZTQKX-ZIAGYGMSSA-N 1 0 217.312 2.370 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001253584608 969260744 /nfs/dbraw/zinc/26/07/44/969260744.db2.gz ONAASFGJPMDQAN-OCCSQVGLSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1ccc(F)cc1 ZINC001253584210 969261558 /nfs/dbraw/zinc/26/15/58/969261558.db2.gz KLCHONVPHDULHQ-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC001253584609 969262354 /nfs/dbraw/zinc/26/23/54/969262354.db2.gz ONAASFGJPMDQAN-TZMCWYRMSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC001253583216 969263108 /nfs/dbraw/zinc/26/31/08/969263108.db2.gz ZDKIJKSOYJRYLB-LLVKDONJSA-N 1 0 242.322 2.073 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001253582976 969263785 /nfs/dbraw/zinc/26/37/85/969263785.db2.gz WIZREGXYASJVEB-JKSUJKDBSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1ccc(OC)cc1 ZINC001253586543 969268423 /nfs/dbraw/zinc/26/84/23/969268423.db2.gz OXCIZMDQSHCBPA-CYBMUJFWSA-N 1 0 235.327 2.064 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC=CO1 ZINC001208880840 969268375 /nfs/dbraw/zinc/26/83/75/969268375.db2.gz PMPIXYHSFCYZFT-FQUUOJAGSA-N 1 0 232.327 2.446 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCSc2ccccc2C1 ZINC001253586711 969272443 /nfs/dbraw/zinc/27/24/43/969272443.db2.gz QLCUTQMFFAUOFZ-GFCCVEGCSA-N 1 0 235.352 2.141 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001253587663 969273322 /nfs/dbraw/zinc/27/33/22/969273322.db2.gz NQFWYDJOUXCJIN-UONOGXRCSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC001253586927 969275155 /nfs/dbraw/zinc/27/51/55/969275155.db2.gz VHLKWFOGKDTIKH-JSGCOSHPSA-N 1 0 249.354 2.105 20 30 BEEDRO C=C[C@H](O)CNc1cccc(C[NH+]2CCCC2)c1 ZINC001253589036 969275594 /nfs/dbraw/zinc/27/55/94/969275594.db2.gz KJUDPBURIMSAQS-HNNXBMFYSA-N 1 0 246.354 2.241 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCc1ccc(C)s1 ZINC001253599984 969293948 /nfs/dbraw/zinc/29/39/48/969293948.db2.gz VLBGKSXVCBNQSU-LLVKDONJSA-N 1 0 225.357 2.126 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC001253601581 969295619 /nfs/dbraw/zinc/29/56/19/969295619.db2.gz SMDVIBMHDSBVBG-LBPRGKRZSA-N 1 0 217.268 2.069 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC001253602219 969296063 /nfs/dbraw/zinc/29/60/63/969296063.db2.gz DZEJKKDBBHRCPB-UKRRQHHQSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1 ZINC001253601771 969296136 /nfs/dbraw/zinc/29/61/36/969296136.db2.gz VYYUOVJWYWTSJD-GFCCVEGCSA-N 1 0 225.719 2.019 20 30 BEEDRO COc1ccc(C#N)cc1NC1=CC[N@H+](C)CC1 ZINC001208910670 969298312 /nfs/dbraw/zinc/29/83/12/969298312.db2.gz UGLGCWCBFXQNHV-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC001253603361 969299566 /nfs/dbraw/zinc/29/95/66/969299566.db2.gz WETTYUMRLZGLCT-NSHDSACASA-N 1 0 217.268 2.069 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1cccc(OCC)c1 ZINC001253605649 969303359 /nfs/dbraw/zinc/30/33/59/969303359.db2.gz VOOUEEHCEDUSMB-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC001253606960 969303909 /nfs/dbraw/zinc/30/39/09/969303909.db2.gz OVUZQGXRIFWPNN-GFCCVEGCSA-N 1 0 223.291 2.197 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001253607518 969304642 /nfs/dbraw/zinc/30/46/42/969304642.db2.gz YQJDLNGUMQIUEQ-AWEZNQCLSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC001253606680 969305847 /nfs/dbraw/zinc/30/58/47/969305847.db2.gz MQFIDPSIJUCQIS-ZDUSSCGKSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCCC1CCCCC1 ZINC001253608226 969307117 /nfs/dbraw/zinc/30/71/17/969307117.db2.gz KBZRGYVIDOMGCY-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001208925774 969308953 /nfs/dbraw/zinc/30/89/53/969308953.db2.gz QYRPZOHJITXUIB-KKUMJFAQSA-N 1 0 244.313 2.391 20 30 BEEDRO N#Cc1ccc(CC[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001208927784 969309104 /nfs/dbraw/zinc/30/91/04/969309104.db2.gz RLEJKLJKGSFZSX-QKDCVEJESA-N 1 0 244.313 2.248 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC(C)(C)CC(F)(F)F ZINC001253609992 969309871 /nfs/dbraw/zinc/30/98/71/969309871.db2.gz OENZDWOSHDFBSI-MRVPVSSYSA-N 1 0 225.254 2.102 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001253609848 969310709 /nfs/dbraw/zinc/31/07/09/969310709.db2.gz ZGHYMECIAMNKSB-SMDDNHRTSA-N 1 0 235.302 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)CC1CCCCC1 ZINC001253609814 969310780 /nfs/dbraw/zinc/31/07/80/969310780.db2.gz YRHALZPZDPCWEX-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccccc1OCC ZINC001253609880 969310895 /nfs/dbraw/zinc/31/08/95/969310895.db2.gz LSVBEUKRORRFPK-RYUDHWBXSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)CC1CCCCC1 ZINC001253609813 969310936 /nfs/dbraw/zinc/31/09/36/969310936.db2.gz YRHALZPZDPCWEX-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)cc(F)c2C#N)CC1 ZINC001208979850 969316935 /nfs/dbraw/zinc/31/69/35/969316935.db2.gz NXMKDHPIBQXFOG-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=CCN(CC[N@H+](CC)C(C)C)C(=O)OCC ZINC001209015629 969318919 /nfs/dbraw/zinc/31/89/19/969318919.db2.gz PCBXSUJZBGBGAV-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C=CCN(CC[N@H+](C)[C@H](C)CC)C(=O)OCC ZINC001209018989 969320108 /nfs/dbraw/zinc/32/01/08/969320108.db2.gz IUUGRHLFNIAOQA-GFCCVEGCSA-N 1 0 242.363 2.361 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001253728873 969354626 /nfs/dbraw/zinc/35/46/26/969354626.db2.gz RMKTWVMJTYRTTI-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037245 969355988 /nfs/dbraw/zinc/35/59/88/969355988.db2.gz RKOYUXHGXLYMLP-NEPJUHHUSA-N 1 0 224.304 2.106 20 30 BEEDRO C=CCCC[N@H+]1CC(C)(C)C[C@]1(C)CO ZINC001209156927 969356424 /nfs/dbraw/zinc/35/64/24/969356424.db2.gz KNJNGNBTWUHCSN-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[N@@H+](CCC#N)CCCC(C)(C)OC(C)=O ZINC001209154041 969358097 /nfs/dbraw/zinc/35/80/97/969358097.db2.gz OSMCXYXUIKSPHT-UHFFFAOYSA-N 1 0 240.347 2.344 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001209157568 969360249 /nfs/dbraw/zinc/36/02/49/969360249.db2.gz XKPJOONIOUFSKW-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C(=O)OC)[C@H]1C ZINC001209160354 969361083 /nfs/dbraw/zinc/36/10/83/969361083.db2.gz SMHRJSNVSRDLFC-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001253741855 969361943 /nfs/dbraw/zinc/36/19/43/969361943.db2.gz LJBHRWAKTLXTNZ-CYBMUJFWSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001209157961 969363104 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/nfs/dbraw/zinc/38/93/71/969389371.db2.gz KEKQTGSILWOAAD-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001209201859 969390499 /nfs/dbraw/zinc/39/04/99/969390499.db2.gz WDTMWXJBJPWSDC-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001209207415 969392037 /nfs/dbraw/zinc/39/20/37/969392037.db2.gz XYLQLDRAUPQZQA-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(C#N)CCCC1)C2 ZINC001169099506 969393868 /nfs/dbraw/zinc/39/38/68/969393868.db2.gz UAMUKVXNAJOUIB-CLLJXQQHSA-N 1 0 233.359 2.038 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169079220 969399820 /nfs/dbraw/zinc/39/98/20/969399820.db2.gz KBWPFQNTCPPNPQ-BTTYYORXSA-N 1 0 234.387 2.393 20 30 BEEDRO CC(C)[C@](C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090728 969406343 /nfs/dbraw/zinc/40/63/43/969406343.db2.gz MAISORLVSUEDRB-CRWXNKLISA-N 1 0 235.375 2.139 20 30 BEEDRO CCCN(CCC#N)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139962 969414264 /nfs/dbraw/zinc/41/42/64/969414264.db2.gz GNAPGYVGZGAOQM-BTTYYORXSA-N 1 0 235.375 2.237 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](C(=O)OCCCC)C1 ZINC001209268586 969418066 /nfs/dbraw/zinc/41/80/66/969418066.db2.gz NUJYUJCLNRAOGW-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001209267037 969418546 /nfs/dbraw/zinc/41/85/46/969418546.db2.gz ILPKWYOLVNQOQS-RDBSUJKOSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](c2nc(CC)no2)C1 ZINC001209269978 969423455 /nfs/dbraw/zinc/42/34/55/969423455.db2.gz SPAYYPKFNHOUHO-GFCCVEGCSA-N 1 0 247.342 2.225 20 30 BEEDRO C[N@H+](CCC#N)CC1Cc2ccccc2C1 ZINC001209321100 969443043 /nfs/dbraw/zinc/44/30/43/969443043.db2.gz XXNGQYSFEFYBKN-UHFFFAOYSA-N 1 0 214.312 2.247 20 30 BEEDRO CC(C)C[C@@H](C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108552 969444334 /nfs/dbraw/zinc/44/43/34/969444334.db2.gz BCVQVJILXBUJIB-XDQVBPFNSA-N 1 0 235.375 2.139 20 30 BEEDRO C#CC[NH+](CC#C)CCCCCCC(=O)OCC ZINC001209356107 969447098 /nfs/dbraw/zinc/44/70/98/969447098.db2.gz ZEEXFRHDJSZLMY-UHFFFAOYSA-N 1 0 249.354 2.068 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@H](CC#N)C1)C2 ZINC001169141340 969458564 /nfs/dbraw/zinc/45/85/64/969458564.db2.gz PVZWHTBCFDYPFZ-KBXIAJHMSA-N 1 0 247.386 2.237 20 30 BEEDRO C#CC[NH2+]CCCC[C@@H](C)NC(=O)CCCC ZINC001169217668 969489573 /nfs/dbraw/zinc/48/95/73/969489573.db2.gz WRNLSIOPWRBNNF-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc(C2CC2)o1 ZINC001254092435 969490312 /nfs/dbraw/zinc/49/03/12/969490312.db2.gz YOGCTTSOVZQEPL-UHFFFAOYSA-N 1 0 219.288 2.056 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001209423425 969491267 /nfs/dbraw/zinc/49/12/67/969491267.db2.gz PRHHUQUTVXJZBX-RYUDHWBXSA-N 1 0 215.312 2.402 20 30 BEEDRO C=CCCCCC[N@@H+]1CC(=O)N(CC)C[C@H]1C ZINC001209433447 969502740 /nfs/dbraw/zinc/50/27/40/969502740.db2.gz WVXTVERTBVDGGX-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H]([NH3+])c1ccn(-c2ccc(CS)cc2)n1 ZINC001169234041 969512973 /nfs/dbraw/zinc/51/29/73/969512973.db2.gz FCFZEISFMOJMTC-VIFPVBQESA-N 1 0 233.340 2.322 20 30 BEEDRO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C(C)C ZINC001169236581 969525099 /nfs/dbraw/zinc/52/50/99/969525099.db2.gz LTAJFDQCYJLFGD-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO CCCCN(CC#N)C1CC[NH+](CC)CC1 ZINC001169266604 969525491 /nfs/dbraw/zinc/52/54/91/969525491.db2.gz YAWZIZQASUJVPO-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO CCCCCCCCc1cn(CC[NH3+])nn1 ZINC001254155471 969526378 /nfs/dbraw/zinc/52/63/78/969526378.db2.gz LKWAHTSJKLYOBD-UHFFFAOYSA-N 1 0 224.352 2.140 20 30 BEEDRO C#CCCCCCc1cn(CCCCC[NH3+])nn1 ZINC001254156761 969526652 /nfs/dbraw/zinc/52/66/52/969526652.db2.gz QHRONHVOJMXPAU-UHFFFAOYSA-N 1 0 248.374 2.143 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)CC)C1CC1 ZINC001276648576 969528489 /nfs/dbraw/zinc/52/84/89/969528489.db2.gz PCILAGCDPZVART-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(CC)(CC)CC ZINC001169314148 969561039 /nfs/dbraw/zinc/56/10/39/969561039.db2.gz SYHLBTOTNGDZQV-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[N@@H+](C)Cc1c(C)[nH]c2ncccc12 ZINC001209588689 969563975 /nfs/dbraw/zinc/56/39/75/969563975.db2.gz DNDDTRGGQHYTGP-UHFFFAOYSA-N 1 0 215.300 2.489 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2cc(F)ccc12 ZINC001209692608 969577423 /nfs/dbraw/zinc/57/74/23/969577423.db2.gz RFIYBWPLUDAGOY-UHFFFAOYSA-N 1 0 216.259 2.372 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCCOC1)C2 ZINC001254378022 969595322 /nfs/dbraw/zinc/59/53/22/969595322.db2.gz QTNOVAUHUZQGGF-HNNXBMFYSA-N 1 0 242.322 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC(CC)CC ZINC001169370341 969614375 /nfs/dbraw/zinc/61/43/75/969614375.db2.gz HTAQTEGABMYABG-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C[NH+]1CCC(C#N)(NC2CCC3(CC3)CC2)CC1 ZINC001254438059 969624814 /nfs/dbraw/zinc/62/48/14/969624814.db2.gz OTKKMXKMVIVDMD-UHFFFAOYSA-N 1 0 247.386 2.287 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CC(=O)N(CC)CC ZINC001169443498 969631063 /nfs/dbraw/zinc/63/10/63/969631063.db2.gz HMRNIVPBDRXSKR-OCCSQVGLSA-N 1 0 238.375 2.025 20 30 BEEDRO CC(C)C[C@@](C)(C#N)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254513438 969677264 /nfs/dbraw/zinc/67/72/64/969677264.db2.gz ZHRAUQMVYHUZNB-KGLIPLIRSA-N 1 0 237.391 2.389 20 30 BEEDRO C[N@@H+]1CCC[C@H](NCc2cc(C#N)cs2)CC1 ZINC001254515283 969692704 /nfs/dbraw/zinc/69/27/04/969692704.db2.gz VGVLDBNPUPAJQK-LBPRGKRZSA-N 1 0 249.383 2.194 20 30 BEEDRO C=C[C@@H]([NH2+][C@@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001169531607 969723844 /nfs/dbraw/zinc/72/38/44/969723844.db2.gz HZSHHQFAPPUQAG-HUUCEWRRSA-N 1 0 244.338 2.124 20 30 BEEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS ZINC001254532245 969725694 /nfs/dbraw/zinc/72/56/94/969725694.db2.gz LYOHPXAERYKXOF-VIFPVBQESA-N 1 0 240.328 2.045 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254548875 969736583 /nfs/dbraw/zinc/73/65/83/969736583.db2.gz RIHCBWPYIINECS-QWRGUYRKSA-N 1 0 247.298 2.418 20 30 BEEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC#N ZINC001254548877 969737491 /nfs/dbraw/zinc/73/74/91/969737491.db2.gz RIHCBWPYIINECS-WDEREUQCSA-N 1 0 247.298 2.418 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540438 969738633 /nfs/dbraw/zinc/73/86/33/969738633.db2.gz TZFILLFSDGODPF-JTQLQIEISA-N 1 0 220.272 2.301 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603972 969743000 /nfs/dbraw/zinc/74/30/00/969743000.db2.gz RLVLUGYYHVOFPB-ZDUSSCGKSA-N 1 0 232.283 2.180 20 30 BEEDRO N#C[C@H]1CC[C@@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC001254634249 969750518 /nfs/dbraw/zinc/75/05/18/969750518.db2.gz AGFKCSNHLIQEFB-LSDHHAIUSA-N 1 0 243.354 2.140 20 30 BEEDRO N#C[C@H]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001254642498 969756746 /nfs/dbraw/zinc/75/67/46/969756746.db2.gz IBSHYQCWGJFCOR-CMPLNLGQSA-N 1 0 228.299 2.079 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCc2cccnc2)C1 ZINC001254644171 969757732 /nfs/dbraw/zinc/75/77/32/969757732.db2.gz VHIVIUPWGDYAMT-ZIAGYGMSSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001254644426 969757918 /nfs/dbraw/zinc/75/79/18/969757918.db2.gz SDCWHFWDZLEVFM-FEPKRQSRSA-N 1 0 234.343 2.106 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001254645542 969759955 /nfs/dbraw/zinc/75/99/55/969759955.db2.gz DMYYXHIZRNFZCB-MNOVXSKESA-N 1 0 244.294 2.066 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001254645497 969761054 /nfs/dbraw/zinc/76/10/54/969761054.db2.gz DAYABHZGVHVVDP-NWDGAFQWSA-N 1 0 240.310 2.116 20 30 BEEDRO C[C@](CO)([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC001254646300 969761312 /nfs/dbraw/zinc/76/13/12/969761312.db2.gz MEQLIAMLYWXXQO-AEGPPILISA-N 1 0 244.338 2.176 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC001254645209 969761641 /nfs/dbraw/zinc/76/16/41/969761641.db2.gz AZGWIORCMRRJCW-AIEDFZFUSA-N 1 0 247.386 2.284 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254646910 969761792 /nfs/dbraw/zinc/76/17/92/969761792.db2.gz QDFIKDPSVMUDOT-WDEREUQCSA-N 1 0 208.305 2.026 20 30 BEEDRO CC(C)n1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC001254646566 969761957 /nfs/dbraw/zinc/76/19/57/969761957.db2.gz BLIVGEHLXZGEFZ-NWDGAFQWSA-N 1 0 232.331 2.246 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2F)C1 ZINC001254647145 969762076 /nfs/dbraw/zinc/76/20/76/969762076.db2.gz BEWURVVLWCGHFJ-ONGXEEELSA-N 1 0 234.274 2.313 20 30 BEEDRO N#C[C@H]1CC[C@@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001254649997 969763779 /nfs/dbraw/zinc/76/37/79/969763779.db2.gz SCGALEVTDJBMRI-GXTWGEPZSA-N 1 0 229.327 2.292 20 30 BEEDRO N#CCC1([NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC001254654589 969764931 /nfs/dbraw/zinc/76/49/31/969764931.db2.gz WCZUIERCDOVABV-NWDGAFQWSA-N 1 0 217.316 2.495 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCN[C@@H](COC)C1 ZINC001210028598 969765032 /nfs/dbraw/zinc/76/50/32/969765032.db2.gz LVWCZCHJYMABKV-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001254655100 969765861 /nfs/dbraw/zinc/76/58/61/969765861.db2.gz YOYHEWJMIKYJSX-LSDHHAIUSA-N 1 0 244.338 2.173 20 30 BEEDRO C[C@H]1C[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)CC[C@H]2O1 ZINC001254657303 969768072 /nfs/dbraw/zinc/76/80/72/969768072.db2.gz CNWLHRZWFWLNKA-MEBFFEOJSA-N 1 0 234.343 2.178 20 30 BEEDRO C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)CC[C@H]2O1 ZINC001254657305 969769136 /nfs/dbraw/zinc/76/91/36/969769136.db2.gz CNWLHRZWFWLNKA-ZUWCUPBKSA-N 1 0 234.343 2.178 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+]2CCc3cc(O)ccc3C2)C1 ZINC001254660148 969770090 /nfs/dbraw/zinc/77/00/90/969770090.db2.gz VPBLRXLIYYOVJZ-SMDDNHRTSA-N 1 0 242.322 2.443 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCCO[C@H]3C2)C1 ZINC001254660444 969771301 /nfs/dbraw/zinc/77/13/01/969771301.db2.gz XZZFQJQWGLPAJS-RFGFWPKPSA-N 1 0 234.343 2.180 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001254667908 969773619 /nfs/dbraw/zinc/77/36/19/969773619.db2.gz FARYWXFUCJYNMI-AAEUAGOBSA-N 1 0 227.311 2.132 20 30 BEEDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254662171 969774315 /nfs/dbraw/zinc/77/43/15/969774315.db2.gz CPQCWKVUFCIBIS-TUVASFSCSA-N 1 0 248.370 2.427 20 30 BEEDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001254663759 969774990 /nfs/dbraw/zinc/77/49/90/969774990.db2.gz DLVIFBYOKKKNGJ-ARILJUKYSA-N 1 0 248.370 2.426 20 30 BEEDRO N#C[C@@H]1CC[C@@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001254671775 969777871 /nfs/dbraw/zinc/77/78/71/969777871.db2.gz UFBRAWYWQDZAQS-FRRDWIJNSA-N 1 0 244.342 2.215 20 30 BEEDRO N#C[C@@H]1CC[C@H](n2ccnc2[C@H]2CCC[NH2+]C2)C1 ZINC001254671765 969778210 /nfs/dbraw/zinc/77/82/10/969778210.db2.gz UFBRAWYWQDZAQS-AGIUHOORSA-N 1 0 244.342 2.215 20 30 BEEDRO Cc1cnc2c(c1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CC2 ZINC001254677536 969783338 /nfs/dbraw/zinc/78/33/38/969783338.db2.gz UTZOTDPBSNQALA-JSGCOSHPSA-N 1 0 241.338 2.440 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001254679707 969785209 /nfs/dbraw/zinc/78/52/09/969785209.db2.gz PDWNQAKNQYVGCJ-REWJHTLYSA-N 1 0 234.343 2.180 20 30 BEEDRO CC[N@H+](C)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254677418 969785248 /nfs/dbraw/zinc/78/52/48/969785248.db2.gz SXYGMPPJCQHGTC-GXTWGEPZSA-N 1 0 235.375 2.095 20 30 BEEDRO CN(C)c1cc(Nc2cncc(C#N)c2)cc[nH+]1 ZINC001210083387 969790488 /nfs/dbraw/zinc/79/04/88/969790488.db2.gz LBTKVLGEAPMKJP-UHFFFAOYSA-N 1 0 239.282 2.158 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254833073 969796523 /nfs/dbraw/zinc/79/65/23/969796523.db2.gz VCMKIGDFGBVNIU-AWEZNQCLSA-N 1 0 234.387 2.252 20 30 BEEDRO CCC[C@@](C)(C#N)N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254848744 969804223 /nfs/dbraw/zinc/80/42/23/969804223.db2.gz VXODRWUYUHTPGW-KBPBESRZSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)C[C@@](C)(C#N)N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849472 969805167 /nfs/dbraw/zinc/80/51/67/969805167.db2.gz BONXJBAFCWPBEQ-CABCVRRESA-N 1 0 249.402 2.389 20 30 BEEDRO CCC(C#N)(CC)N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254849495 969805747 /nfs/dbraw/zinc/80/57/47/969805747.db2.gz BQLBCTWIGLLAIV-ZDUSSCGKSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC(C#N)(CC)N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849493 969806727 /nfs/dbraw/zinc/80/67/27/969806727.db2.gz BQLBCTWIGLLAIV-CYBMUJFWSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254860035 969811096 /nfs/dbraw/zinc/81/10/96/969811096.db2.gz IVQBHJCEBNIAQU-CABCVRRESA-N 1 0 247.386 2.096 20 30 BEEDRO C=CCN(CC=C)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254859097 969811940 /nfs/dbraw/zinc/81/19/40/969811940.db2.gz BAVKDIYKPLNFHA-CQSZACIVSA-N 1 0 220.360 2.145 20 30 BEEDRO Cc1[nH+]cc(NC2=CC(=O)CC(C)(C)C2)n1C ZINC001210150617 969813271 /nfs/dbraw/zinc/81/32/71/969813271.db2.gz HTPBMQMZKDEUKZ-UHFFFAOYSA-N 1 0 233.315 2.413 20 30 BEEDRO CC#CCCN1CCC([NH+](CC)CC)CC1 ZINC001254918558 969820304 /nfs/dbraw/zinc/82/03/04/969820304.db2.gz GGIITIBPHJCVJR-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO N#CCCc1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169726102 969820892 /nfs/dbraw/zinc/82/08/92/969820892.db2.gz UUPIXIFBWJZAEW-UHFFFAOYSA-N 1 0 225.295 2.392 20 30 BEEDRO C#C[C@@](C)(CC)Nc1ccc2c([nH+]1)NCCO2 ZINC001169700637 969825717 /nfs/dbraw/zinc/82/57/17/969825717.db2.gz UIFKWGCXCMQWAF-ZDUSSCGKSA-N 1 0 231.299 2.100 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@H+](CCCCCO)CC2 ZINC001210196483 969827189 /nfs/dbraw/zinc/82/71/89/969827189.db2.gz NRNDYCHPLIXYDG-UHFFFAOYSA-N 1 0 244.338 2.079 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254934183 969827900 /nfs/dbraw/zinc/82/79/00/969827900.db2.gz IDSLDSJJBAHAOC-OWTLIXCDSA-N 1 0 219.328 2.136 20 30 BEEDRO Cc1cnc(NC(C)(C)CC[NH+](C)C)cc1C#N ZINC001169716086 969828826 /nfs/dbraw/zinc/82/88/26/969828826.db2.gz POZZEMMASBDQTI-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254955228 969837417 /nfs/dbraw/zinc/83/74/17/969837417.db2.gz YWVCBXFOEQYZAR-YNEHKIRRSA-N 1 0 246.354 2.370 20 30 BEEDRO N#CCC1CC[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254954892 969838226 /nfs/dbraw/zinc/83/82/26/969838226.db2.gz VPMXDJMHYSZHTA-CHWSQXEVSA-N 1 0 246.354 2.370 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254955924 969840575 /nfs/dbraw/zinc/84/05/75/969840575.db2.gz FEWJVRNDTYWJEN-AGIUHOORSA-N 1 0 246.354 2.370 20 30 BEEDRO C#CC1CC[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254961892 969843244 /nfs/dbraw/zinc/84/32/44/969843244.db2.gz YVRGLXYBSXXQFY-STQMWFEESA-N 1 0 231.339 2.089 20 30 BEEDRO N#CC1CC([NH2+]C2Cc3ccccc3C2)C1 ZINC001255018681 969846233 /nfs/dbraw/zinc/84/62/33/969846233.db2.gz PUMMWRVWUDLDKK-UHFFFAOYSA-N 1 0 212.296 2.046 20 30 BEEDRO C=C[C@@H](CO)Nc1cc[nH+]c(N2CCCCC2)c1 ZINC001169783761 969856318 /nfs/dbraw/zinc/85/63/18/969856318.db2.gz BKWYPLWXQJZYMM-LBPRGKRZSA-N 1 0 247.342 2.031 20 30 BEEDRO C=C[C@@H](CO)Nc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001169784492 969858251 /nfs/dbraw/zinc/85/82/51/969858251.db2.gz XVLOOLMDPVPPON-JSGCOSHPSA-N 1 0 232.327 2.070 20 30 BEEDRO C=C[C@@H](CO)Nc1cc[nH+]cc1-c1ccccc1 ZINC001169784272 969858861 /nfs/dbraw/zinc/85/88/61/969858861.db2.gz RTUXYCDLLPKPRD-ZDUSSCGKSA-N 1 0 240.306 2.129 20 30 BEEDRO C=C[C@@H](CO)Nc1ccc([C@H]2CC[N@@H+](C)C2)cc1 ZINC001169787220 969860440 /nfs/dbraw/zinc/86/04/40/969860440.db2.gz LMVJZPCDIUXOPG-KBPBESRZSA-N 1 0 246.354 2.065 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@H+](C1CCOCC1)CC2 ZINC001255039009 969861320 /nfs/dbraw/zinc/86/13/20/969861320.db2.gz RPQHUMBRTGYGPJ-UHFFFAOYSA-N 1 0 242.322 2.095 20 30 BEEDRO CC(C=CC[NH3+])=NC1=CC(=O)CC(C)(C)C1 ZINC001169951288 969888802 /nfs/dbraw/zinc/88/88/02/969888802.db2.gz BZFFEWNXWVOSTB-GQYICFGZSA-N 1 0 220.316 2.225 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCCC3(C2)OCCO3)C1 ZINC001169954460 969889567 /nfs/dbraw/zinc/88/95/67/969889567.db2.gz ASNMCKVUONLCMB-ZIAGYGMSSA-N 1 0 249.354 2.017 20 30 BEEDRO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC)C2 ZINC001108840299 969903152 /nfs/dbraw/zinc/90/31/52/969903152.db2.gz NSICJPIXBGYLHA-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO CC[C@@H](CC#N)NCC[NH+]1CCCCCC1 ZINC001255152981 969950499 /nfs/dbraw/zinc/95/04/99/969950499.db2.gz MGSLCAPWPJGPLY-ZDUSSCGKSA-N 1 0 223.364 2.144 20 30 BEEDRO CC[C@H](CC#N)NCC[NH+]1CCCCCC1 ZINC001255152980 969951349 /nfs/dbraw/zinc/95/13/49/969951349.db2.gz MGSLCAPWPJGPLY-CYBMUJFWSA-N 1 0 223.364 2.144 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCCCCC(=O)OC ZINC001255151417 969955702 /nfs/dbraw/zinc/95/57/02/969955702.db2.gz ASENWJYPQOBZSD-LBPRGKRZSA-N 1 0 240.347 2.392 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(O)c(OC)c1 ZINC001255151567 969955729 /nfs/dbraw/zinc/95/57/29/969955729.db2.gz FIOFAQQQLZLIJQ-LBPRGKRZSA-N 1 0 248.326 2.225 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1cccc(O)c1 ZINC001255152601 969956796 /nfs/dbraw/zinc/95/67/96/969956796.db2.gz YNWYCNFWMARGSC-GFCCVEGCSA-N 1 0 218.300 2.217 20 30 BEEDRO CC[C@@H](CC#N)NCCC[NH+]1CCC(C)CC1 ZINC001255152637 969956931 /nfs/dbraw/zinc/95/69/31/969956931.db2.gz ZNHHKFQSBZWCKZ-AWEZNQCLSA-N 1 0 237.391 2.390 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1noc(C(C)C)n1 ZINC001255152280 969957330 /nfs/dbraw/zinc/95/73/30/969957330.db2.gz QIQGWBBEUJQZNL-JTQLQIEISA-N 1 0 236.319 2.017 20 30 BEEDRO CC[C@@H](CC#N)n1cc2cc(C[NH3+])ccc2n1 ZINC001255153590 969960792 /nfs/dbraw/zinc/96/07/92/969960792.db2.gz ZMVCYGSMBBBWBK-LBPRGKRZSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001255155247 969963659 /nfs/dbraw/zinc/96/36/59/969963659.db2.gz NBGSQKYQYDGYHG-SECBINFHSA-N 1 0 236.706 2.133 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1(CC)CCOCC1 ZINC001255162118 969969566 /nfs/dbraw/zinc/96/95/66/969969566.db2.gz HWPKYLDEPNXYGS-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCC[C@@H]1C(=O)OC ZINC001255162644 969974107 /nfs/dbraw/zinc/97/41/07/969974107.db2.gz VEUNWYXBSGZFSL-WOPDTQHZSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001255166184 969978880 /nfs/dbraw/zinc/97/88/80/969978880.db2.gz HIQMRDMMYXCYKK-CHWSQXEVSA-N 1 0 222.332 2.324 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001255167315 969980497 /nfs/dbraw/zinc/98/04/97/969980497.db2.gz YHCUMMCJLFVFHY-DGCLKSJQSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@@H](CC#N)N(C)CCC[NH+]1CCCC1 ZINC001255172324 969983979 /nfs/dbraw/zinc/98/39/79/969983979.db2.gz NBSLAUBVZNARKQ-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCC1(C)CC1 ZINC001170036919 970047947 /nfs/dbraw/zinc/04/79/47/970047947.db2.gz CDDSZGUSHUAHFL-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@H](C)CCCC ZINC001255313976 970080482 /nfs/dbraw/zinc/08/04/82/970080482.db2.gz TYFAUVMANZJTMP-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]CC(C)C)[C@@H](C)C1 ZINC001327846625 1169942423 /nfs/dbraw/zinc/94/24/23/1169942423.db2.gz JCBCBKCCBFATJT-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO CN(c1ccc(CCC#N)cc1)C(C)(C)C[NH3+] ZINC001170058692 970107610 /nfs/dbraw/zinc/10/76/10/970107610.db2.gz ARHLQDRDGGMIPJ-UHFFFAOYSA-N 1 0 231.343 2.316 20 30 BEEDRO CN(c1ccccc1CS)C(C)(C)C[NH3+] ZINC001170059432 970113655 /nfs/dbraw/zinc/11/36/55/970113655.db2.gz KMUAVSJHZDUYQZ-UHFFFAOYSA-N 1 0 224.373 2.290 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255373412 970120314 /nfs/dbraw/zinc/12/03/14/970120314.db2.gz PORWCHZOVWMSTQ-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(C)C)C1 ZINC001327846623 1169942666 /nfs/dbraw/zinc/94/26/66/1169942666.db2.gz JCBCBKCCBFATJT-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)CC#N)C1 ZINC001255354441 970122670 /nfs/dbraw/zinc/12/26/70/970122670.db2.gz SYMRDDXKFWNFQN-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@@H]1CCC[N@@H+](C)C1 ZINC001255475285 970205887 /nfs/dbraw/zinc/20/58/87/970205887.db2.gz NCDGSODQXHSPHM-GFCCVEGCSA-N 1 0 222.307 2.367 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](C)CCCC(C)C)CC1 ZINC001170087468 970211482 /nfs/dbraw/zinc/21/14/82/970211482.db2.gz GEBNWFMRWGBEBP-HNNXBMFYSA-N 1 0 236.403 2.452 20 30 BEEDRO COc1c[nH+]ccc1Nc1cc(F)ccc1C#N ZINC001211263630 970212897 /nfs/dbraw/zinc/21/28/97/970212897.db2.gz XROBXLZAZRRWSU-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO CSCC[N@H+](C)Cc1cc(F)cc(C#N)c1 ZINC000167514984 970260450 /nfs/dbraw/zinc/26/04/50/970260450.db2.gz GCMVYFDFMSCZGD-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO CC(C)(S)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255528165 970291477 /nfs/dbraw/zinc/29/14/77/970291477.db2.gz IHSIGNHICOBZLE-SECBINFHSA-N 1 0 217.378 2.242 20 30 BEEDRO CC1(C)C[C@@H]([NH+]2CCC(C#N)CC2)CCO1 ZINC001255535442 970302650 /nfs/dbraw/zinc/30/26/50/970302650.db2.gz MYYUKPSCKHYNBM-LBPRGKRZSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C)C[C@H]([N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC001255546781 970318351 /nfs/dbraw/zinc/31/83/51/970318351.db2.gz RDSNOWGRLHBODO-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCOC(C)(C)C2)C1 ZINC001255551321 970326462 /nfs/dbraw/zinc/32/64/62/970326462.db2.gz KIMYDYKCRJSTPL-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CC1(c2ccc(C3=CC[NH2+]C3)nc2)CCC1 ZINC001243108612 970334255 /nfs/dbraw/zinc/33/42/55/970334255.db2.gz UXXYFCHONKJNNR-UHFFFAOYSA-N 1 0 225.295 2.013 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC1(C)CCCC1 ZINC001157462103 970335610 /nfs/dbraw/zinc/33/56/10/970335610.db2.gz RQRQSJNMBRHUKY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO COC[C@H](C)[NH2+]CCCCCCS ZINC001255564869 970353590 /nfs/dbraw/zinc/35/35/90/970353590.db2.gz GDGPUIUGWAHWAC-JTQLQIEISA-N 1 0 205.367 2.101 20 30 BEEDRO C[C@@H](C#N)N(C)c1ccc(C[NH+]2CCCC2)cn1 ZINC001157489449 970377574 /nfs/dbraw/zinc/37/75/74/970377574.db2.gz DDKKIYFNWIASEH-LBPRGKRZSA-N 1 0 244.342 2.026 20 30 BEEDRO Cc1ccc2[nH+]c(N)n(-c3ccncc3C#N)c2c1 ZINC001214002670 970409173 /nfs/dbraw/zinc/40/91/73/970409173.db2.gz ZZQWSSZOYJYNCO-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001214047121 970422081 /nfs/dbraw/zinc/42/20/81/970422081.db2.gz WLCNZAROQGKXBQ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccc(C[C@H](C)[NH2+]CCS)cc1 ZINC001255771466 970474529 /nfs/dbraw/zinc/47/45/29/970474529.db2.gz AOMRCMBFIFSXMG-NSHDSACASA-N 1 0 209.358 2.445 20 30 BEEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCS ZINC001255856901 970524411 /nfs/dbraw/zinc/52/44/11/970524411.db2.gz OSZVGRKOJTVJNI-VIFPVBQESA-N 1 0 213.321 2.276 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCC2CC2)cc1 ZINC000303793124 970532703 /nfs/dbraw/zinc/53/27/03/970532703.db2.gz ZDGHDXGPFJPTMK-UHFFFAOYSA-N 1 0 203.289 2.132 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CCO1 ZINC001170192735 970563036 /nfs/dbraw/zinc/56/30/36/970563036.db2.gz FDVVWESPKUMTIK-UONOGXRCSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CCO1 ZINC001170192737 970568053 /nfs/dbraw/zinc/56/80/53/970568053.db2.gz FDVVWESPKUMTIK-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCO[C@@H](CC)C2)N=N1 ZINC001170205237 970571767 /nfs/dbraw/zinc/57/17/67/970571767.db2.gz WVTSBHQVYAIMKB-STQMWFEESA-N 1 0 249.358 2.499 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N[C@@](C)(C#N)CC ZINC001255946831 970580895 /nfs/dbraw/zinc/58/08/95/970580895.db2.gz JNFSJBZAGCQGIZ-CHWSQXEVSA-N 1 0 225.380 2.389 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CCO1 ZINC001170196641 970593419 /nfs/dbraw/zinc/59/34/19/970593419.db2.gz TYDRZNBSKWGQTK-JSGCOSHPSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CCCC[C@@H]1C#N ZINC001255962845 970601183 /nfs/dbraw/zinc/60/11/83/970601183.db2.gz AMHBZMQMUNHMQY-UONOGXRCSA-N 1 0 237.391 2.485 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000400557080 970602055 /nfs/dbraw/zinc/60/20/55/970602055.db2.gz BRAXSHDWFITTSR-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO CCN(CCC#N)[C@H](C)CC[NH+](CC)CC ZINC001255961419 970605402 /nfs/dbraw/zinc/60/54/02/970605402.db2.gz MCSMEJNTUOPAET-CYBMUJFWSA-N 1 0 225.380 2.342 20 30 BEEDRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC001170236235 970616718 /nfs/dbraw/zinc/61/67/18/970616718.db2.gz CYRLCUHNEXNSCX-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H]1C[C@H]([NH+]2CCC(S)CC2)CCO1 ZINC001170225590 970629378 /nfs/dbraw/zinc/62/93/78/970629378.db2.gz AAFPPFXAJICSEE-GHMZBOCLSA-N 1 0 229.389 2.338 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001256067187 970632200 /nfs/dbraw/zinc/63/22/00/970632200.db2.gz FFADTRBXAJWTHY-JOCQHMNTSA-N 1 0 247.386 2.285 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256151964 970675445 /nfs/dbraw/zinc/67/54/45/970675445.db2.gz RHVBENVGPYVCHK-RYUDHWBXSA-N 1 0 217.312 2.238 20 30 BEEDRO COc1cccc(C[C@H](C)[NH+]2CC(CC#N)C2)c1 ZINC001256156863 970679452 /nfs/dbraw/zinc/67/94/52/970679452.db2.gz QTYSSCBLLXOPGN-LBPRGKRZSA-N 1 0 244.338 2.472 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001215427969 970749517 /nfs/dbraw/zinc/74/95/17/970749517.db2.gz RWSZFFSFGFBZOF-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)CC[C@@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001256361440 970760687 /nfs/dbraw/zinc/76/06/87/970760687.db2.gz QCQOISVPPOYAHO-CYBMUJFWSA-N 1 0 237.391 2.389 20 30 BEEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H](F)CC2)c1 ZINC001144074316 972549347 /nfs/dbraw/zinc/54/93/47/972549347.db2.gz HURBVVXYDQWVIU-CYBMUJFWSA-N 1 0 233.290 2.277 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](OCC=C)C2)cc1 ZINC001327381688 972563110 /nfs/dbraw/zinc/56/31/10/972563110.db2.gz HJKHXUXVTGLCPT-MRXNPFEDSA-N 1 0 241.334 2.445 20 30 BEEDRO C=C(C)C[NH2+]C1CC(CNC(=O)C2CC=CC2)C1 ZINC001090966398 972564147 /nfs/dbraw/zinc/56/41/47/972564147.db2.gz JGISOJGKSLUJLZ-UHFFFAOYSA-N 1 0 248.370 2.013 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@@H](OC)C2)cc1 ZINC001327386147 972568953 /nfs/dbraw/zinc/56/89/53/972568953.db2.gz YICGWGDNHRJTOP-LSDHHAIUSA-N 1 0 229.323 2.325 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCC23CC3)nc1 ZINC001144149630 972631696 /nfs/dbraw/zinc/63/16/96/972631696.db2.gz LEJUHQDRVQKGPQ-UHFFFAOYSA-N 1 0 213.284 2.082 20 30 BEEDRO N#Cc1ccc(CN2CCCC[C@H](F)C2)nc1 ZINC001144154063 972633367 /nfs/dbraw/zinc/63/33/67/972633367.db2.gz XZWCBXXAFMDGNJ-LBPRGKRZSA-N 1 0 233.290 2.277 20 30 BEEDRO N#Cc1ccc(CN2CCCC[C@@H](F)C2)nc1 ZINC001144154062 972635628 /nfs/dbraw/zinc/63/56/28/972635628.db2.gz XZWCBXXAFMDGNJ-GFCCVEGCSA-N 1 0 233.290 2.277 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC001327590098 972656202 /nfs/dbraw/zinc/65/62/02/972656202.db2.gz GMOHIXZPSIGWOA-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C2(CC2)C1 ZINC001144166830 972657329 /nfs/dbraw/zinc/65/73/29/972657329.db2.gz YFWNRJYCAWKRDR-NSHDSACASA-N 1 0 227.311 2.328 20 30 BEEDRO N#CC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144169191 972667338 /nfs/dbraw/zinc/66/73/38/972667338.db2.gz ZMNKYLBERAGGPO-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ncco1 ZINC001171175533 972805441 /nfs/dbraw/zinc/80/54/41/972805441.db2.gz MPAYSJKUEBFUSP-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CSC1 ZINC001171186689 972823651 /nfs/dbraw/zinc/82/36/51/972823651.db2.gz YLETZZOAMXAJMM-JTQLQIEISA-N 1 0 232.352 2.194 20 30 BEEDRO CC(C)([NH3+])CNc1ncc2ccccc2c1C#N ZINC001171188460 972833334 /nfs/dbraw/zinc/83/33/34/972833334.db2.gz JBIJGDCKUYTPHJ-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C#N)ccn2)C1 ZINC001327966839 972835611 /nfs/dbraw/zinc/83/56/11/972835611.db2.gz CEYSVSKYQWEAMQ-ZDUSSCGKSA-N 1 0 244.342 2.097 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171190930 972837423 /nfs/dbraw/zinc/83/74/23/972837423.db2.gz ZGOIDJAQEGOSBH-VXGBXAGGSA-N 1 0 212.296 2.101 20 30 BEEDRO CC(C)([NH3+])CNc1cccc2[nH]c(C#N)cc21 ZINC001171192590 972842466 /nfs/dbraw/zinc/84/24/66/972842466.db2.gz GRNHVFXWDXRRHX-UHFFFAOYSA-N 1 0 228.299 2.189 20 30 BEEDRO CC(C)([NH3+])CNc1cccc(F)c1CC#N ZINC001171193672 972844982 /nfs/dbraw/zinc/84/49/82/972844982.db2.gz DXKFEJVTYSBJEH-UHFFFAOYSA-N 1 0 221.279 2.041 20 30 BEEDRO CC(C)([NH3+])CNc1cc(C#N)cc2[nH]ccc21 ZINC001171194459 972847361 /nfs/dbraw/zinc/84/73/61/972847361.db2.gz ODRVEQMRNUPRPG-UHFFFAOYSA-N 1 0 228.299 2.189 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2COC)cc1 ZINC001144568390 972874720 /nfs/dbraw/zinc/87/47/20/972874720.db2.gz SZDQSSFTIJSCRQ-HNNXBMFYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)cc1 ZINC001144567947 972874925 /nfs/dbraw/zinc/87/49/25/972874925.db2.gz FFTGWDPLOLEDQC-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)cc1 ZINC001144576851 972879462 /nfs/dbraw/zinc/87/94/62/972879462.db2.gz SSLURQHYFOFVFF-SWLSCSKDSA-N 1 0 229.323 2.013 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCCOCC1 ZINC001171204353 972924068 /nfs/dbraw/zinc/92/40/68/972924068.db2.gz WJISMKPJCXWFNX-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001246584643 972959756 /nfs/dbraw/zinc/95/97/56/972959756.db2.gz XWIWJDYDCJAWKK-OLZOCXBDSA-N 1 0 241.354 2.222 20 30 BEEDRO CC[N@H+]([C@H](C)Cc1cccc(C#N)c1)C1COC1 ZINC001171220798 972999882 /nfs/dbraw/zinc/99/98/82/972999882.db2.gz CCEXBIZAMXQRIY-GFCCVEGCSA-N 1 0 244.338 2.210 20 30 BEEDRO N#Cc1cc(-c2nc(C3([NH3+])CCC3)no2)cs1 ZINC001328379004 973002108 /nfs/dbraw/zinc/00/21/08/973002108.db2.gz JOMLPXGAQPIPGY-UHFFFAOYSA-N 1 0 246.295 2.008 20 30 BEEDRO COC[C@H]1CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171229987 973023416 /nfs/dbraw/zinc/02/34/16/973023416.db2.gz ABKXBRVAROEHCA-IUODEOHRSA-N 1 0 244.338 2.210 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](C/N=C/c2ccccc2O)C1 ZINC000846756235 973041777 /nfs/dbraw/zinc/04/17/77/973041777.db2.gz IEJFJBUVIUTKFB-BTICUIILSA-N 1 0 232.327 2.151 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CC ZINC001328588660 973163900 /nfs/dbraw/zinc/16/39/00/973163900.db2.gz JHEHKGPXQYFBEF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)/C(C)=C/C ZINC001328608404 973187797 /nfs/dbraw/zinc/18/77/97/973187797.db2.gz JJCJNAQYCBXOIZ-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)O[C@@H](C#N)c1ccccc1 ZINC001223709235 973231194 /nfs/dbraw/zinc/23/11/94/973231194.db2.gz KAMYURBZROQAIH-JSGCOSHPSA-N 1 0 233.335 2.363 20 30 BEEDRO C[C@@H](C[NH+](C)C)O[C@H](C#N)c1ccccc1 ZINC001223709042 973231842 /nfs/dbraw/zinc/23/18/42/973231842.db2.gz IKRFGHRBJHVUGR-WCQYABFASA-N 1 0 218.300 2.218 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1cccc(C#N)n1 ZINC001328831313 973361555 /nfs/dbraw/zinc/36/15/55/973361555.db2.gz XQQGDYGFKCZDQT-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)CCC ZINC001328972764 973392303 /nfs/dbraw/zinc/39/23/03/973392303.db2.gz ZBGVKHMAXCDARF-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC ZINC001328972765 973394039 /nfs/dbraw/zinc/39/40/39/973394039.db2.gz ZBGVKHMAXCDARF-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC001328955786 973401057 /nfs/dbraw/zinc/40/10/57/973401057.db2.gz BACYPTFDYIIYGV-INIZCTEOSA-N 1 0 243.350 2.383 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=C)C ZINC001328994112 973419455 /nfs/dbraw/zinc/41/94/55/973419455.db2.gz BRURQZQRERCEJN-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC(F)F ZINC001329084458 973466604 /nfs/dbraw/zinc/46/66/04/973466604.db2.gz FIPPRDPKOOYQLE-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C/C=C(\C)C=C ZINC001329105064 973482923 /nfs/dbraw/zinc/48/29/23/973482923.db2.gz SBRSRIQSXNLFTE-NEKXEHSPSA-N 1 0 248.370 2.015 20 30 BEEDRO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C/C=C(/C)C=C ZINC001329105063 973483985 /nfs/dbraw/zinc/48/39/85/973483985.db2.gz SBRSRIQSXNLFTE-ISESHHHUSA-N 1 0 248.370 2.015 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC001329103312 973486150 /nfs/dbraw/zinc/48/61/50/973486150.db2.gz JPWRDTLCBLGMRR-NEPJUHHUSA-N 1 0 240.391 2.480 20 30 BEEDRO C=C(C)CCCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224282212 973502048 /nfs/dbraw/zinc/50/20/48/973502048.db2.gz RJYVXECQZLOFHH-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224334837 973562677 /nfs/dbraw/zinc/56/26/77/973562677.db2.gz GBUGRVNRRZFGPD-LBPRGKRZSA-N 1 0 200.346 2.454 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(C#N)ccn1 ZINC001171308387 973646264 /nfs/dbraw/zinc/64/62/64/973646264.db2.gz QYVAKZPHVYYOST-GRYCIOLGSA-N 1 0 229.327 2.430 20 30 BEEDRO C=CCCCOC1CC[NH+](CCCOC)CC1 ZINC001224509691 973723994 /nfs/dbraw/zinc/72/39/94/973723994.db2.gz PVGSCLGAYRKPBE-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000234795866 973766347 /nfs/dbraw/zinc/76/63/47/973766347.db2.gz AJOYGLFLSGFHPQ-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000234892400 973777135 /nfs/dbraw/zinc/77/71/35/973777135.db2.gz AJOYGLFLSGFHPQ-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)c1ccccc1 ZINC001148149479 973806891 /nfs/dbraw/zinc/80/68/91/973806891.db2.gz UYONLZHEVVMZMJ-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C#C[C@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224623989 973808899 /nfs/dbraw/zinc/80/88/99/973808899.db2.gz RZRAEEFVAOHNLX-HNNXBMFYSA-N 1 0 232.347 2.474 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC001329521897 973809138 /nfs/dbraw/zinc/80/91/38/973809138.db2.gz LVFSZPMHCNNEAD-SCZZXKLOSA-N 1 0 219.275 2.211 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](C)c1ccccc1 ZINC001148482998 973846888 /nfs/dbraw/zinc/84/68/88/973846888.db2.gz WSEWNYQUUUBUBN-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO C#C[C@@H](OC[C@H]1CCCC[N@H+]1C)c1ccncc1 ZINC001224706484 973875395 /nfs/dbraw/zinc/87/53/95/973875395.db2.gz KRPLHPMZCVYHLR-HUUCEWRRSA-N 1 0 244.338 2.257 20 30 BEEDRO CCCCCCCCC(=O)NCC[NH2+]CCF ZINC001148728173 973885993 /nfs/dbraw/zinc/88/59/93/973885993.db2.gz YNHGTXGEBUBJFJ-UHFFFAOYSA-N 1 0 246.370 2.412 20 30 BEEDRO C=C[C@H](CCCC)OCC[N+](C)(C)C ZINC001224773983 973941124 /nfs/dbraw/zinc/94/11/24/973941124.db2.gz OSYRPKOQPBYRBJ-GFCCVEGCSA-N 1 0 200.346 2.454 20 30 BEEDRO CC#C[C@@H](CC)OCCC[NH+]1CCCC1 ZINC001224751321 973916861 /nfs/dbraw/zinc/91/68/61/973916861.db2.gz XSMIXTUTBZPURL-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C[C@H](CC(C)(C)S)OCC[N+](C)(C)C ZINC001224774242 973941498 /nfs/dbraw/zinc/94/14/98/973941498.db2.gz PIFNIZFPNCSGLE-SNVBAGLBSA-O 1 0 220.402 2.196 20 30 BEEDRO C=CC[C@@H](OCC[N+](C)(C)C)C(C)C ZINC001224774413 973944541 /nfs/dbraw/zinc/94/45/41/973944541.db2.gz RXTZBAFZWKMQSU-GFCCVEGCSA-N 1 0 200.346 2.310 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC001329871508 973988906 /nfs/dbraw/zinc/98/89/06/973988906.db2.gz VFBGVNVYSXGVLV-UHFFFAOYSA-N 1 0 247.338 2.085 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCCC ZINC001224871582 974046332 /nfs/dbraw/zinc/04/63/32/974046332.db2.gz PNKYPQHBXWNOCC-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO Fc1cc2c(cc1F)C[C@@H]([NH2+]CCS)CC2 ZINC001171449258 974073011 /nfs/dbraw/zinc/07/30/11/974073011.db2.gz PMYLXDVLFVUBEA-JTQLQIEISA-N 1 0 243.322 2.342 20 30 BEEDRO Fc1cc2c(cc1F)C[C@H]([NH2+]CCS)CC2 ZINC001171449262 974073639 /nfs/dbraw/zinc/07/36/39/974073639.db2.gz PMYLXDVLFVUBEA-SNVBAGLBSA-N 1 0 243.322 2.342 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462163 974077656 /nfs/dbraw/zinc/07/76/56/974077656.db2.gz DTFSMWIGUWFWCI-LBPRGKRZSA-N 1 0 235.277 2.435 20 30 BEEDRO C=CC(NC(C)(C)c1ccncc1)=[NH+]COC ZINC001171514012 974089336 /nfs/dbraw/zinc/08/93/36/974089336.db2.gz WZWWWTWGYRLXST-UHFFFAOYSA-N 1 0 233.315 2.095 20 30 BEEDRO N#CC1CC([NH2+][C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171787672 974177351 /nfs/dbraw/zinc/17/73/51/974177351.db2.gz LPBNYUBXIBANHF-QEWOUOOISA-N 1 0 230.286 2.185 20 30 BEEDRO C=CCCC(=O)NCC1([NH2+]CC=C(C)C)CC1 ZINC001277013195 974178463 /nfs/dbraw/zinc/17/84/63/974178463.db2.gz FQJRNDLEXHZEOA-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2C#N)C1 ZINC001225196946 974212822 /nfs/dbraw/zinc/21/28/22/974212822.db2.gz CHTAZOHGJMQUOI-CYBMUJFWSA-N 1 0 230.311 2.420 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001171937610 974219718 /nfs/dbraw/zinc/21/97/18/974219718.db2.gz RITLJJIRLGLNEZ-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nnc(C)n1C ZINC001330528301 974292048 /nfs/dbraw/zinc/29/20/48/974292048.db2.gz IXZPXXPGFFDTRW-LLVKDONJSA-N 1 0 236.363 2.348 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@H]1C#N)C2 ZINC001172126482 974352216 /nfs/dbraw/zinc/35/22/16/974352216.db2.gz WGWYHFIEGOZOKU-XGUBFFRZSA-N 1 0 247.386 2.380 20 30 BEEDRO C=C[C@H](COC)[NH2+]C[C@H](Cc1ccccc1)OC ZINC001330620283 974365851 /nfs/dbraw/zinc/36/58/51/974365851.db2.gz BOGYLLLLWUVLBX-CABCVRRESA-N 1 0 249.354 2.035 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc2ccccc2n1C ZINC001330620646 974366371 /nfs/dbraw/zinc/36/63/71/974366371.db2.gz GKFVXYYOVGEVCO-ZDUSSCGKSA-N 1 0 244.338 2.469 20 30 BEEDRO C[NH+](C)Cc1ccc(OC2CC(C#N)C2)cc1 ZINC001225335322 974414946 /nfs/dbraw/zinc/41/49/46/974414946.db2.gz ZNIRLBOQQPEBAK-UHFFFAOYSA-N 1 0 230.311 2.429 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178870 974435142 /nfs/dbraw/zinc/43/51/42/974435142.db2.gz IKGZMDGVOYFSIH-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172219812 974449091 /nfs/dbraw/zinc/44/90/91/974449091.db2.gz NZHWTWXLPMYJRV-VKZGVUPNSA-N 1 0 234.343 2.368 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(C#N)cc1)C(C)(C)O ZINC001172304185 974515966 /nfs/dbraw/zinc/51/59/66/974515966.db2.gz IYSZCXLGDZEEKR-NWDGAFQWSA-N 1 0 246.354 2.238 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308878 974518843 /nfs/dbraw/zinc/51/88/43/974518843.db2.gz AIZXDCSAVIMRRV-DOMZBBRYSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCCC#N ZINC001172301893 974518948 /nfs/dbraw/zinc/51/89/48/974518948.db2.gz YZYUKXLNXWMEHF-GFCCVEGCSA-N 1 0 227.311 2.383 20 30 BEEDRO COCC1C[NH+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172309668 974519857 /nfs/dbraw/zinc/51/98/57/974519857.db2.gz VOPCMEUBLXOFCJ-GFCCVEGCSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C)C1 ZINC001172314900 974520972 /nfs/dbraw/zinc/52/09/72/974520972.db2.gz MHKMHJFBHHIAHS-QWHCGFSZSA-N 1 0 244.338 2.210 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[NH2+]CCCC#N ZINC001172325969 974537324 /nfs/dbraw/zinc/53/73/24/974537324.db2.gz ZVLBDIMJRBJGEE-NEPJUHHUSA-N 1 0 212.337 2.473 20 30 BEEDRO C=C[C@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225541902 974548904 /nfs/dbraw/zinc/54/89/04/974548904.db2.gz AUNVKSPPTQUEAP-VIFPVBQESA-N 1 0 220.272 2.138 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cncc1C[NH3+] ZINC001172289912 974557473 /nfs/dbraw/zinc/55/74/73/974557473.db2.gz KCIAGHJHDKYTOB-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC001172292568 974559946 /nfs/dbraw/zinc/55/99/46/974559946.db2.gz PSOZESVIZLHRRG-YWPYICTPSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C[C@@H]1CCOC1 ZINC001172292288 974560856 /nfs/dbraw/zinc/56/08/56/974560856.db2.gz FDZAZVVDOHEEJX-WFASDCNBSA-N 1 0 244.338 2.115 20 30 BEEDRO CC(C)[N@H+](CCN)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172294697 974565896 /nfs/dbraw/zinc/56/58/96/974565896.db2.gz KGPZOSLDUKFZIA-CYBMUJFWSA-N 1 0 245.370 2.158 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001172376411 974574878 /nfs/dbraw/zinc/57/48/78/974574878.db2.gz BKYIOIDOJJPMNW-MGPQQGTHSA-N 1 0 203.329 2.380 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001172380410 974591102 /nfs/dbraw/zinc/59/11/02/974591102.db2.gz SIOAWDZCPCJKEF-RBSFLKMASA-N 1 0 234.387 2.062 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CC(C)(C)CO1 ZINC001331108616 974597141 /nfs/dbraw/zinc/59/71/41/974597141.db2.gz CXUCHJZGMDSHBQ-ZDUSSCGKSA-N 1 0 221.344 2.147 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]C1(CO)COC1 ZINC001172347165 974618509 /nfs/dbraw/zinc/61/85/09/974618509.db2.gz SKABNXFCPKCVNE-CYBMUJFWSA-N 1 0 243.391 2.476 20 30 BEEDRO CCOCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001172411955 974674999 /nfs/dbraw/zinc/67/49/99/974674999.db2.gz TXUGEISOSFYAOL-AVGNSLFASA-N 1 0 224.348 2.473 20 30 BEEDRO CCOCC[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001172411956 974675424 /nfs/dbraw/zinc/67/54/24/974675424.db2.gz TXUGEISOSFYAOL-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CC(C)(C)C ZINC001331385105 974702707 /nfs/dbraw/zinc/70/27/07/974702707.db2.gz DOMFAOLSELNMDA-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1nc(C)ccc1C#N ZINC001225860294 974703940 /nfs/dbraw/zinc/70/39/40/974703940.db2.gz JVPDTEIQCNZTTI-LBPRGKRZSA-N 1 0 247.342 2.371 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172429518 974709836 /nfs/dbraw/zinc/70/98/36/974709836.db2.gz ZXOIGFCZZFMZMP-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)NCCCC[NH3+] ZINC001331422560 974715011 /nfs/dbraw/zinc/71/50/11/974715011.db2.gz DBMXZBLBYWVESA-UHFFFAOYSA-N 1 0 241.379 2.017 20 30 BEEDRO N#Cc1cc(NC(=O)CCC[NH3+])ccc1C1CC1 ZINC001331428276 974717320 /nfs/dbraw/zinc/71/73/20/974717320.db2.gz ZZPIAEFSLWQOGE-UHFFFAOYSA-N 1 0 243.310 2.113 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001331487524 974740383 /nfs/dbraw/zinc/74/03/83/974740383.db2.gz GWXFOUSLWDGWFZ-NWDGAFQWSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C(=C)C ZINC001331521163 974746424 /nfs/dbraw/zinc/74/64/24/974746424.db2.gz YYMRABAIEAYHGB-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C1(C)CCC1 ZINC001331532194 974751212 /nfs/dbraw/zinc/75/12/12/974751212.db2.gz GSULUPDHUGGLRI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)co1)CC1CC1 ZINC001331553873 974761000 /nfs/dbraw/zinc/76/10/00/974761000.db2.gz QFRQXAQCNCHMIB-UHFFFAOYSA-N 1 0 203.285 2.433 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001331580596 974768139 /nfs/dbraw/zinc/76/81/39/974768139.db2.gz DFRVTINXAJUSMZ-GDBMZVCRSA-N 1 0 245.366 2.290 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001331580598 974768170 /nfs/dbraw/zinc/76/81/70/974768170.db2.gz DFRVTINXAJUSMZ-GOEBONIOSA-N 1 0 245.366 2.290 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC001331580605 974768611 /nfs/dbraw/zinc/76/86/11/974768611.db2.gz DFRVTINXAJUSMZ-ZBFHGGJFSA-N 1 0 245.366 2.290 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCc1ccsc1 ZINC001331583888 974768967 /nfs/dbraw/zinc/76/89/67/974768967.db2.gz NXDHTFVYQYJWJL-YPMHNXCESA-N 1 0 237.368 2.043 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1CCOCC1 ZINC001172475769 974772602 /nfs/dbraw/zinc/77/26/02/974772602.db2.gz BJDDQTKSEDBWAR-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cscn1 ZINC001172476356 974773295 /nfs/dbraw/zinc/77/32/95/974773295.db2.gz KEPDJUWRBOSRFZ-VIFPVBQESA-N 1 0 209.318 2.315 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccncc1 ZINC001172475750 974773607 /nfs/dbraw/zinc/77/36/07/974773607.db2.gz ASRRXSPJPQAWJF-LLVKDONJSA-N 1 0 203.289 2.254 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1(C)CCOCC1 ZINC001172476876 974774791 /nfs/dbraw/zinc/77/47/91/974774791.db2.gz RXRBYWXNXWJKLX-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](CCCC#N)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001172477286 974775051 /nfs/dbraw/zinc/77/50/51/974775051.db2.gz YKIYWTIQTMQZFN-GXTWGEPZSA-N 1 0 243.354 2.459 20 30 BEEDRO CCOC(=O)C[C@@H](C)[NH2+][C@H](C)CCCC#N ZINC001172478833 974776084 /nfs/dbraw/zinc/77/60/84/974776084.db2.gz HYBMNXNNVJJQEU-GHMZBOCLSA-N 1 0 226.320 2.000 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccnc1F ZINC001172479101 974776668 /nfs/dbraw/zinc/77/66/68/974776668.db2.gz JHZZIGKASBCIHH-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCCCN1C ZINC001172480250 974779687 /nfs/dbraw/zinc/77/96/87/974779687.db2.gz NDJLKODMZDETQW-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)CCCC#N)on1 ZINC001172481238 974781896 /nfs/dbraw/zinc/78/18/96/974781896.db2.gz REQLBEJQIZRUEA-VIFPVBQESA-N 1 0 207.277 2.155 20 30 BEEDRO CCCC[C@@H](CO)[NH2+][C@@H](C)CCCC#N ZINC001172480956 974782186 /nfs/dbraw/zinc/78/21/86/974782186.db2.gz YKJGYZFCDVVLJZ-RYUDHWBXSA-N 1 0 212.337 2.209 20 30 BEEDRO CCOC(CC[NH2+][C@@H](C)CCCC#N)OCC ZINC001172482158 974784682 /nfs/dbraw/zinc/78/46/82/974784682.db2.gz BZYXQMZFDBKDJW-LBPRGKRZSA-N 1 0 242.363 2.448 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ncc(Cl)cn1 ZINC001172483307 974786847 /nfs/dbraw/zinc/78/68/47/974786847.db2.gz OUILVCQHYVNWAI-VIFPVBQESA-N 1 0 238.722 2.302 20 30 BEEDRO CCOC(=O)C(C)(C)C[NH2+][C@H](C)CCCC#N ZINC001172485043 974789224 /nfs/dbraw/zinc/78/92/24/974789224.db2.gz KZUQKBCICZVZDU-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC001172485368 974789800 /nfs/dbraw/zinc/78/98/00/974789800.db2.gz PADCDQCODBOCOT-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC001172486620 974790652 /nfs/dbraw/zinc/79/06/52/974790652.db2.gz GNSQHGYPOADTQR-IJLUTSLNSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001172486622 974790960 /nfs/dbraw/zinc/79/09/60/974790960.db2.gz GNSQHGYPOADTQR-WOPDTQHZSA-N 1 0 210.321 2.226 20 30 BEEDRO COC[C@@H]([NH2+][C@H](C)CCCC#N)C1CC1 ZINC001172487845 974833078 /nfs/dbraw/zinc/83/30/78/974833078.db2.gz NOAWESBDZFVGLU-ZYHUDNBSSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(C2CC2)CC1 ZINC001172489270 974834496 /nfs/dbraw/zinc/83/44/96/974834496.db2.gz PMIGCIFYUJGIPX-LBPRGKRZSA-N 1 0 235.375 2.285 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CCCC#N ZINC001172489651 974835415 /nfs/dbraw/zinc/83/54/15/974835415.db2.gz XQXMXBOOXUDBFC-KBPBESRZSA-N 1 0 235.375 2.309 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1ccno1 ZINC001172490851 974836479 /nfs/dbraw/zinc/83/64/79/974836479.db2.gz LMILDDZSUQHWGE-ZJUUUORDSA-N 1 0 207.277 2.408 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1ccno1 ZINC001172490849 974837994 /nfs/dbraw/zinc/83/79/94/974837994.db2.gz LMILDDZSUQHWGE-VHSXEESVSA-N 1 0 207.277 2.408 20 30 BEEDRO COc1cccc(C#N)c1O[C@@H](C)C[N+](C)(C)C ZINC001226250467 974839110 /nfs/dbraw/zinc/83/91/10/974839110.db2.gz MSALOGUQBKQDNH-NSHDSACASA-N 1 0 249.334 2.040 20 30 BEEDRO CCOC(=O)CC1([NH2+][C@H](C)CCCC#N)CC1 ZINC001172492100 974839479 /nfs/dbraw/zinc/83/94/79/974839479.db2.gz QFIQPGPJJLABBI-LLVKDONJSA-N 1 0 238.331 2.144 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC(=O)C[C@H]1C ZINC001172492161 974839747 /nfs/dbraw/zinc/83/97/47/974839747.db2.gz JDCSUDOGXSFBPQ-GHMZBOCLSA-N 1 0 208.305 2.122 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001172493504 974840185 /nfs/dbraw/zinc/84/01/85/974840185.db2.gz MNJDDRFMHUIOOA-CHWSQXEVSA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001172493638 974841474 /nfs/dbraw/zinc/84/14/74/974841474.db2.gz NGKGIDZLCOFLAD-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@H](C)CCCC#N ZINC001172493643 974842500 /nfs/dbraw/zinc/84/25/00/974842500.db2.gz NHHYMKUGSGVTOS-NEPJUHHUSA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@]1(C)CCCN(C)C1 ZINC001172493914 974842982 /nfs/dbraw/zinc/84/29/82/974842982.db2.gz WNZGOOKCEGUEPP-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@H](C)CCCC#N ZINC001172496043 974845814 /nfs/dbraw/zinc/84/58/14/974845814.db2.gz JMGNYXWIAWKOBY-DGCLKSJQSA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CC2(C1)CCCCO2 ZINC001172495490 974845988 /nfs/dbraw/zinc/84/59/88/974845988.db2.gz FILHKDNYIBSNQY-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO CC(C)OC1C[NH+]([C@@H](C)CCCC#N)C1 ZINC001172497518 974847745 /nfs/dbraw/zinc/84/77/45/974847745.db2.gz CJVKPQQCAPXNKL-NSHDSACASA-N 1 0 210.321 2.178 20 30 BEEDRO Cc1nc2c(n1[C@H](C)CCCC#N)C[NH2+]CC2 ZINC001172498673 974851026 /nfs/dbraw/zinc/85/10/26/974851026.db2.gz PSOAEGILIOWCCB-SNVBAGLBSA-N 1 0 232.331 2.092 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001172499389 974851711 /nfs/dbraw/zinc/85/17/11/974851711.db2.gz WOPZIDVEJMARCD-VXGBXAGGSA-N 1 0 224.348 2.304 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172499539 974851943 /nfs/dbraw/zinc/85/19/43/974851943.db2.gz DSDDUJDBXMQMHA-RYUDHWBXSA-N 1 0 205.305 2.304 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN([C@H](C)CCCC#N)C1 ZINC001172500196 974852275 /nfs/dbraw/zinc/85/22/75/974852275.db2.gz KGBHDQJNODBUJH-KGLIPLIRSA-N 1 0 237.391 2.485 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172500395 974853327 /nfs/dbraw/zinc/85/33/27/974853327.db2.gz NESIPGBNJVASAD-RYUDHWBXSA-N 1 0 238.331 2.096 20 30 BEEDRO CC(=O)[C@H]1CCC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172502796 974857299 /nfs/dbraw/zinc/85/72/99/974857299.db2.gz XBCZTYVRMOCVPS-AAEUAGOBSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)CC1(C)COC1 ZINC001172503747 974857698 /nfs/dbraw/zinc/85/76/98/974857698.db2.gz CBIBNIDHPWDAAM-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CCC2(CCO2)CC1 ZINC001172502791 974857904 /nfs/dbraw/zinc/85/79/04/974857904.db2.gz WVTZQPPDGMERKD-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@H+]1[C@H](C)CCCC#N ZINC001172504993 974860191 /nfs/dbraw/zinc/86/01/91/974860191.db2.gz KFTKAOOBVIYNTD-PWSUYJOCSA-N 1 0 208.305 2.122 20 30 BEEDRO CC[N@H+]([C@@H](C)CCCC#N)C1CCN(C)CC1 ZINC001172506946 974860517 /nfs/dbraw/zinc/86/05/17/974860517.db2.gz MJJOJNSWPJKRAS-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001172509359 974862655 /nfs/dbraw/zinc/86/26/55/974862655.db2.gz KJUVDSCNKYNQKL-GRYCIOLGSA-N 1 0 210.321 2.178 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC001172553940 974867181 /nfs/dbraw/zinc/86/71/81/974867181.db2.gz PYTRKTBZGMGQLB-ILXRZTDVSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC001172553942 974868100 /nfs/dbraw/zinc/86/81/00/974868100.db2.gz PYTRKTBZGMGQLB-QLFBSQMISA-N 1 0 231.339 2.459 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(C#N)ccn1 ZINC001331965987 974895290 /nfs/dbraw/zinc/89/52/90/974895290.db2.gz QTQFXXBZAIJFIF-JFGNBEQYSA-N 1 0 215.300 2.402 20 30 BEEDRO C#CCC[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172650952 974895844 /nfs/dbraw/zinc/89/58/44/974895844.db2.gz UHDUNDSDGGKIEQ-UHFFFAOYSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172726572 974909913 /nfs/dbraw/zinc/90/99/13/974909913.db2.gz YATZBLYJJYODKV-HNNXBMFYSA-N 1 0 243.737 2.376 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC(=C)C)C1 ZINC001331992818 974911660 /nfs/dbraw/zinc/91/16/60/974911660.db2.gz UNGLXXDHDHDATA-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172765676 974934529 /nfs/dbraw/zinc/93/45/29/974934529.db2.gz IWYYYRVOLQNTIT-RYUDHWBXSA-N 1 0 237.343 2.110 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172766163 974934577 /nfs/dbraw/zinc/93/45/77/974934577.db2.gz KRILWWUXVLBVDK-OLZOCXBDSA-N 1 0 237.343 2.111 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)S)C1 ZINC001172916356 974964490 /nfs/dbraw/zinc/96/44/90/974964490.db2.gz BIIJGZYLSXZPLF-UWVGGRQHSA-N 1 0 217.378 2.242 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCC[C@@H](OC)C2)N=N1 ZINC001172936977 974992255 /nfs/dbraw/zinc/99/22/55/974992255.db2.gz 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/nfs/dbraw/zinc/36/22/27/978362227.db2.gz KZMWKMRJQFFOFP-UHFFFAOYSA-N 1 0 245.370 2.250 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(CO)CC2)c(C#N)c1 ZINC001232963512 978362483 /nfs/dbraw/zinc/36/24/83/978362483.db2.gz IEWNVQRXZNDDGS-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CCc1c[nH]cn1 ZINC001337489608 978370882 /nfs/dbraw/zinc/37/08/82/978370882.db2.gz WWWKHEOMQONXCI-ZDUSSCGKSA-N 1 0 247.342 2.300 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)C1CCC1 ZINC001177730866 978421090 /nfs/dbraw/zinc/42/10/90/978421090.db2.gz YKBZPOZSCSFCLE-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCN(CC[NH+](CC)CC)Cc1[nH]ccc1C#N ZINC001233044322 978424977 /nfs/dbraw/zinc/42/49/77/978424977.db2.gz MRTDLDLLGOXPQE-UHFFFAOYSA-N 1 0 248.374 2.050 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cccc(C)c1 ZINC001277753248 978425419 /nfs/dbraw/zinc/42/54/19/978425419.db2.gz USZYMOPMIILWIC-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)CC1CC1 ZINC001177742150 978427256 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978725326 /nfs/dbraw/zinc/72/53/26/978725326.db2.gz NQIYSSIQOYXQEE-OAGGEKHMSA-N 1 0 246.398 2.418 20 30 BEEDRO CCN1CC(Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233921673 978729807 /nfs/dbraw/zinc/72/98/07/978729807.db2.gz SOXWNKYNFGHONG-UHFFFAOYSA-N 1 0 236.702 2.295 20 30 BEEDRO C[C@H](O)C(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC001179730315 978744527 /nfs/dbraw/zinc/74/45/27/978744527.db2.gz VTAOZFFLGVLSBR-VIFPVBQESA-N 1 0 238.356 2.116 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)/C(C)=C\C ZINC001277832471 978779039 /nfs/dbraw/zinc/77/90/39/978779039.db2.gz SWDWACSFQOXNHI-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2cc(O)cc(C#N)c2)CC1 ZINC001234139219 978783554 /nfs/dbraw/zinc/78/35/54/978783554.db2.gz GOXQYWUZOOZEGL-CYBMUJFWSA-N 1 0 246.310 2.127 20 30 BEEDRO COc1cc(O[C@H]2CCC[N@H+](C)C2)ccc1C#N ZINC001234500463 978851495 /nfs/dbraw/zinc/85/14/95/978851495.db2.gz ZWCBVVRNLVGBIT-ZDUSSCGKSA-N 1 0 246.310 2.040 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C[C@H]1CC[N@H+]1CC ZINC001234555486 978860983 /nfs/dbraw/zinc/86/09/83/978860983.db2.gz VIBILMDQMMUWFO-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO CC#CCC[NH2+]Cc1nc2cc(F)ccc2o1 ZINC001180467774 978891307 /nfs/dbraw/zinc/89/13/07/978891307.db2.gz CHFOIWDSFBVMCS-UHFFFAOYSA-N 1 0 232.258 2.470 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCC)C1 ZINC001180660565 978927883 /nfs/dbraw/zinc/92/78/83/978927883.db2.gz DGZKQKOEWPGFMU-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001180728572 978942663 /nfs/dbraw/zinc/94/26/63/978942663.db2.gz CQUOODMNUUSAKR-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@H](C#N)c1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1 ZINC001180861908 978956386 /nfs/dbraw/zinc/95/63/86/978956386.db2.gz RNOZTMIFYKLLTQ-MNOVXSKESA-N 1 0 245.326 2.202 20 30 BEEDRO C=CCCCCCN1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001235294573 979009364 /nfs/dbraw/zinc/00/93/64/979009364.db2.gz HKMNSIIZJFUCSQ-OLZOCXBDSA-N 1 0 208.349 2.169 20 30 BEEDRO CCCCCCCN1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001235292697 979019151 /nfs/dbraw/zinc/01/91/51/979019151.db2.gz IHMKLVMEJHVDHZ-QWHCGFSZSA-N 1 0 210.365 2.393 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[NH2+]C[C@@H](C1)O2 ZINC001235338761 979027755 /nfs/dbraw/zinc/02/77/55/979027755.db2.gz RIGLGCIRWNBEAJ-OKILXGFUSA-N 1 0 240.391 2.020 20 30 BEEDRO N#CCCCN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001277942971 979037125 /nfs/dbraw/zinc/03/71/25/979037125.db2.gz IEZPBTZXGMNGFW-GJZGRUSLSA-N 1 0 247.386 2.381 20 30 BEEDRO N#CCc1ccccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC001235510816 979059283 /nfs/dbraw/zinc/05/92/83/979059283.db2.gz DCSASIUBUMJXKX-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccccc1CC#N ZINC001235512429 979061890 /nfs/dbraw/zinc/06/18/90/979061890.db2.gz QPMMKNLJHOMYJG-IUODEOHRSA-N 1 0 244.338 2.098 20 30 BEEDRO CO[C@H](C)C1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235525176 979062847 /nfs/dbraw/zinc/06/28/47/979062847.db2.gz KFPWWEMOJPQRAF-GFCCVEGCSA-N 1 0 244.338 2.219 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C(C)C)C1 ZINC001340769078 979099545 /nfs/dbraw/zinc/09/95/45/979099545.db2.gz TYPIVSUFVJASQD-QWHCGFSZSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC1CC([NH3+])C1 ZINC001340823963 979120812 /nfs/dbraw/zinc/12/08/12/979120812.db2.gz ODNYZFYOCDBZKM-UHFFFAOYSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC001340908137 979155312 /nfs/dbraw/zinc/15/53/12/979155312.db2.gz WSSVWUUICSYAAG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H](C)C(C)C)C1 ZINC001181517367 979159826 /nfs/dbraw/zinc/15/98/26/979159826.db2.gz KZIWUKJCGCHOLA-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H](CCN1CCN[C@H](C#N)C1)CC(C)(C)C ZINC001235914639 979200136 /nfs/dbraw/zinc/20/01/36/979200136.db2.gz WZQRZJUQQMBIOR-CHWSQXEVSA-N 1 0 237.391 2.246 20 30 BEEDRO CCCC[C@@H](CC)CN1CCN[C@H](C#N)C1 ZINC001235912609 979204030 /nfs/dbraw/zinc/20/40/30/979204030.db2.gz GNPINVHFBSTAQH-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO CCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001341062032 979214800 /nfs/dbraw/zinc/21/48/00/979214800.db2.gz UISBJDCXLBDYQE-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[NH2+]CCN(C)Cc1ccc(CC)cc1 ZINC001235960754 979225278 /nfs/dbraw/zinc/22/52/78/979225278.db2.gz XKUSTPXHLZWQLR-UHFFFAOYSA-N 1 0 232.371 2.456 20 30 BEEDRO C=CCCCCN(CC)[C@H]1CCC[NH2+]C1 ZINC001236006455 979299451 /nfs/dbraw/zinc/29/94/51/979299451.db2.gz SVPWULHWYHTATK-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C#Cc1cccc(CN(CC)[C@H]2CCC[NH2+]C2)c1 ZINC001236008590 979296870 /nfs/dbraw/zinc/29/68/70/979296870.db2.gz UOSRPCUSBBCNCL-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001181831963 979325204 /nfs/dbraw/zinc/32/52/04/979325204.db2.gz DGEWAFRELGKTTL-GEXIGZQTSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)C1CCCC1 ZINC001341310025 979329503 /nfs/dbraw/zinc/32/95/03/979329503.db2.gz ULBHVZGDLPWQDK-ZDUSSCGKSA-N 1 0 238.375 2.461 20 30 BEEDRO C=CC[NH2+]CCN(C)Cc1ccc(F)cc1F ZINC001236070897 979357875 /nfs/dbraw/zinc/35/78/75/979357875.db2.gz CBYQHRCQDCKVET-UHFFFAOYSA-N 1 0 240.297 2.172 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)n1 ZINC001341393384 979372476 /nfs/dbraw/zinc/37/24/76/979372476.db2.gz QCZHGSAKPATVJI-GFCCVEGCSA-N 1 0 202.301 2.152 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CC(CC)CC ZINC001277979096 979403637 /nfs/dbraw/zinc/40/36/37/979403637.db2.gz OQDVOMIYTMUWRJ-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001182108250 979445554 /nfs/dbraw/zinc/44/55/54/979445554.db2.gz BOMIPOFXLDBHKG-KKUMJFAQSA-N 1 0 234.387 2.110 20 30 BEEDRO C=CC[NH2+]CCN1CCSc2ccccc2C1 ZINC001236239788 979462476 /nfs/dbraw/zinc/46/24/76/979462476.db2.gz JRIOJQGEMWEYBO-UHFFFAOYSA-N 1 0 248.395 2.370 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C/C)C1 ZINC001111689820 979483133 /nfs/dbraw/zinc/48/31/33/979483133.db2.gz SGNABQZNOFIXAJ-OTTAAZFZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[NH2+]C[C@@H]32)CC1 ZINC001236281835 979484703 /nfs/dbraw/zinc/48/47/03/979484703.db2.gz FJZRFWVRCCUUQA-KFWWJZLASA-N 1 0 232.371 2.193 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001341690180 979528323 /nfs/dbraw/zinc/52/83/23/979528323.db2.gz UZZLZQMOVBIECN-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C[N@H+]1CC=C(Cc2ccc(C#N)cc2)CC1 ZINC001250055029 979534783 /nfs/dbraw/zinc/53/47/83/979534783.db2.gz WBQIXXWIKYINGW-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO N#Cc1cccc(-c2cccc3c2CC[NH2+]C3)n1 ZINC001236344874 979546999 /nfs/dbraw/zinc/54/69/99/979546999.db2.gz ZTFGRPJZPISGJL-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=CC1(CC(=O)NC[C@@H]([NH3+])CC)CCCCC1 ZINC001341779764 979557713 /nfs/dbraw/zinc/55/77/13/979557713.db2.gz ZGBRRONQFRQNAO-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO COc1ccc(C#N)cc1-c1ccc(C[NH3+])nc1 ZINC001236543200 979626123 /nfs/dbraw/zinc/62/61/23/979626123.db2.gz SDDHOUULOHBIHV-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001182946987 979673211 /nfs/dbraw/zinc/67/32/11/979673211.db2.gz KAHYMTHVZIZJAF-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C/C=C(\C)C=C ZINC001479238243 979679439 /nfs/dbraw/zinc/67/94/39/979679439.db2.gz WFDOAWVGQDKKFO-GUNGLEHYSA-N 1 0 248.370 2.228 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(F)c(O)c2)CC1 ZINC001236709457 979708125 /nfs/dbraw/zinc/70/81/25/979708125.db2.gz YSKJWRGNJDDNHS-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO C#C[C@@H](CO)[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001183103332 979734830 /nfs/dbraw/zinc/73/48/30/979734830.db2.gz JNWSBTNEWNDGFG-INIZCTEOSA-N 1 0 243.350 2.113 20 30 BEEDRO C=C(C)COc1ccccc1CN1CC[NH2+]C1 ZINC001236843932 979753765 /nfs/dbraw/zinc/75/37/65/979753765.db2.gz NIQUMWIZOIICMF-UHFFFAOYSA-N 1 0 232.327 2.004 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001342279717 979754627 /nfs/dbraw/zinc/75/46/27/979754627.db2.gz WGTCFERXRWDFNH-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H]([NH3+])CN(C)Cc1ccc(C)cc1C#N ZINC001236883514 979776215 /nfs/dbraw/zinc/77/62/15/979776215.db2.gz DYWRZZJKTFPJBU-AWEZNQCLSA-N 1 0 231.343 2.036 20 30 BEEDRO C=C(C)COc1ccccc1CN(C)C[C@H](C)[NH3+] ZINC001236895138 979781436 /nfs/dbraw/zinc/78/14/36/979781436.db2.gz MEUNDQVEDXDJOV-ZDUSSCGKSA-N 1 0 248.370 2.421 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC001237222795 979855074 /nfs/dbraw/zinc/85/50/74/979855074.db2.gz RFGHHFQUGDDNQK-LBPRGKRZSA-N 1 0 229.327 2.394 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)c1ccccc1 ZINC001273482114 979860115 /nfs/dbraw/zinc/86/01/15/979860115.db2.gz PPGUUNXJARWGCX-UHFFFAOYSA-N 1 0 246.354 2.267 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCN(C(C)=O)C[C@@H]1C ZINC001183650965 979860329 /nfs/dbraw/zinc/86/03/29/979860329.db2.gz VZPGLBBMWNADLG-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc(COC)c1 ZINC001342734135 979882308 /nfs/dbraw/zinc/88/23/08/979882308.db2.gz SBZSUSSPZQDPSH-AWEZNQCLSA-N 1 0 235.327 2.124 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC001342777823 979892481 /nfs/dbraw/zinc/89/24/81/979892481.db2.gz DZIIGLRBZQVXII-AGIUHOORSA-N 1 0 227.348 2.125 20 30 BEEDRO N#Cc1ccc2nc(C[NH+]3CCCCC3)cn2c1 ZINC001237602513 979957989 /nfs/dbraw/zinc/95/79/89/979957989.db2.gz CBPQQECTPLEGAC-UHFFFAOYSA-N 1 0 240.310 2.192 20 30 BEEDRO CC[NH+](CC)Cc1cn2cc(C#N)ccc2n1 ZINC001237605660 979966174 /nfs/dbraw/zinc/96/61/74/979966174.db2.gz ZBRFJQVUFMXTOY-UHFFFAOYSA-N 1 0 228.299 2.048 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC#Cc1ccccc1 ZINC001343002234 979969878 /nfs/dbraw/zinc/96/98/78/979969878.db2.gz QQJGNERMCYCSFH-HOCLYGCPSA-N 1 0 243.350 2.443 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC#Cc1ccccc1 ZINC001343002231 979971744 /nfs/dbraw/zinc/97/17/44/979971744.db2.gz QQJGNERMCYCSFH-GOEBONIOSA-N 1 0 243.350 2.443 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001343015095 979976817 /nfs/dbraw/zinc/97/68/17/979976817.db2.gz UGUQOLREYZGJHU-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001184278569 980007531 /nfs/dbraw/zinc/00/75/31/980007531.db2.gz TVSFFIBNPABJGQ-STQMWFEESA-N 1 0 236.359 2.331 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC001343165160 980028969 /nfs/dbraw/zinc/02/89/69/980028969.db2.gz DDYLKTFIODLKRH-LBPRGKRZSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCC1(O)C[NH+](CCCCC(C)C)C1 ZINC001184336580 980042582 /nfs/dbraw/zinc/04/25/82/980042582.db2.gz AZZCDUKJYJMDID-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC001343233096 980042471 /nfs/dbraw/zinc/04/24/71/980042471.db2.gz LVIFYIGBWJBSOQ-WCQYABFASA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC1(O)C[NH+](Cc2cccc3c2CCC3)C1 ZINC001184337356 980044102 /nfs/dbraw/zinc/04/41/02/980044102.db2.gz FVZQLHHCEWHOAY-UHFFFAOYSA-N 1 0 243.350 2.298 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2CSC2)C1 ZINC001184387492 980059411 /nfs/dbraw/zinc/05/94/11/980059411.db2.gz LGESVUVKFPYPFU-PWSUYJOCSA-N 1 0 224.373 2.411 20 30 BEEDRO COc1cc(C#N)ccc1CCC[NH+](C)C ZINC001250164503 980123140 /nfs/dbraw/zinc/12/31/40/980123140.db2.gz KWSRPSLJJDVECN-UHFFFAOYSA-N 1 0 218.300 2.061 20 30 BEEDRO C[NH+](C)CCCc1cccc(C#N)c1F ZINC001250165058 980131394 /nfs/dbraw/zinc/13/13/94/980131394.db2.gz ZSFUNCYOVVZSNP-UHFFFAOYSA-N 1 0 206.264 2.192 20 30 BEEDRO Cc1ccc(O)cc1CN1CCC[C@@H](C#N)C1 ZINC001238107628 980157248 /nfs/dbraw/zinc/15/72/48/980157248.db2.gz VAYKIBKXHRFJTL-LBPRGKRZSA-N 1 0 230.311 2.436 20 30 BEEDRO C=CCCCCC[N@H+]1CCNCC[C@H]1C ZINC001205326284 980192335 /nfs/dbraw/zinc/19/23/35/980192335.db2.gz XSBWJBVXBGGTAG-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001185320974 980209080 /nfs/dbraw/zinc/20/90/80/980209080.db2.gz CYSOPIIEZIMRNZ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001343862078 980257314 /nfs/dbraw/zinc/25/73/14/980257314.db2.gz IUZWQPDGDUVAMY-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/CC)[C@@H]1C ZINC001278235223 980269034 /nfs/dbraw/zinc/26/90/34/980269034.db2.gz WSDPLPXDRHGEEY-PGJRDNSLSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)C ZINC001110368784 980281160 /nfs/dbraw/zinc/28/11/60/980281160.db2.gz MLPFHUDYDZOBKB-MCIONIFRSA-N 1 0 248.370 2.250 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1cc(F)ccc1C#N ZINC001185970046 980307898 /nfs/dbraw/zinc/30/78/98/980307898.db2.gz SHAUGQRUDPJKSJ-QWRGUYRKSA-N 1 0 247.317 2.226 20 30 BEEDRO CCc1cc(C[NH+]2CC=CC2)ccc1C#N ZINC001238766992 980320729 /nfs/dbraw/zinc/32/07/29/980320729.db2.gz QZUVIYJEWDXLKX-UHFFFAOYSA-N 1 0 212.296 2.492 20 30 BEEDRO CCc1cc(C[N@@H+]2CC[C@H]2COC)ccc1C#N ZINC001238771958 980323640 /nfs/dbraw/zinc/32/36/40/980323640.db2.gz LAVZFFXGJZZNDP-HNNXBMFYSA-N 1 0 244.338 2.341 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1csc(C)c1 ZINC001344070590 980335855 /nfs/dbraw/zinc/33/58/55/980335855.db2.gz UJFYYDQAERHHEP-LLVKDONJSA-N 1 0 211.330 2.347 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC001344125966 980353559 /nfs/dbraw/zinc/35/35/59/980353559.db2.gz XBLGXLYZJUFBJK-CQSZACIVSA-N 1 0 237.343 2.023 20 30 BEEDRO N#Cc1c[nH]c2nc(C3=CCC[NH2+]CC3)ccc12 ZINC001238937874 980373256 /nfs/dbraw/zinc/37/32/56/980373256.db2.gz DSPMCCLKCISMIK-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@@H]2CC[C@@H](C)C2)CC1 ZINC001344372669 980379922 /nfs/dbraw/zinc/37/99/22/980379922.db2.gz BHGRXSCTCCTAHN-CHWSQXEVSA-N 1 0 249.354 2.063 20 30 BEEDRO CC(C)c1noc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC001344580681 980436119 /nfs/dbraw/zinc/43/61/19/980436119.db2.gz QPIMLHAAPRNCIX-MNOVXSKESA-N 1 0 248.330 2.017 20 30 BEEDRO CCCCCCCNC(=O)NCC[NH2+]CCC ZINC001239229758 980496357 /nfs/dbraw/zinc/49/63/57/980496357.db2.gz IDRNCGFFEPOPAC-UHFFFAOYSA-N 1 0 243.395 2.256 20 30 BEEDRO CCCCCCCCNC(=O)NCCC[NH2+]C ZINC001239211348 980498535 /nfs/dbraw/zinc/49/85/35/980498535.db2.gz YXQNQHSPJLAWOE-UHFFFAOYSA-N 1 0 243.395 2.256 20 30 BEEDRO CCCCCCCNC(=O)NCC(C)(C)C[NH3+] ZINC001239228825 980499044 /nfs/dbraw/zinc/49/90/44/980499044.db2.gz NIDIXWCSQYESPJ-UHFFFAOYSA-N 1 0 243.395 2.241 20 30 BEEDRO CCCCCCC[C@H](C)NC(=O)N1CC([NH3+])C1 ZINC001239259651 980506159 /nfs/dbraw/zinc/50/61/59/980506159.db2.gz UAIVJROXLPHXOF-NSHDSACASA-N 1 0 241.379 2.088 20 30 BEEDRO CCCCCCCOC(=O)NCC[NH2+]CC ZINC001239321253 980529817 /nfs/dbraw/zinc/52/98/17/980529817.db2.gz MRBFWRXONCSDGT-UHFFFAOYSA-N 1 0 230.352 2.293 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CCC[N@H+](C)CC ZINC001273547540 980546222 /nfs/dbraw/zinc/54/62/22/980546222.db2.gz BYTNVUHHUCZGOH-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO Cn1c[nH+]cc1Nc1cc(F)c(C#N)c(F)c1 ZINC001203669373 980563370 /nfs/dbraw/zinc/56/33/70/980563370.db2.gz ZNQCTDNUCDMDDD-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001188676051 980687463 /nfs/dbraw/zinc/68/74/63/980687463.db2.gz QDZXGFXSRQGDMJ-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@@H](CC#N)OC(=O)[C@H]1CCCN1C(C)C ZINC001345886445 980703479 /nfs/dbraw/zinc/70/34/79/980703479.db2.gz FNECUJCISGCHJT-NWDGAFQWSA-N 1 0 238.331 2.095 20 30 BEEDRO C#CC[N@@H+](Cc1cncc(F)c1)CC1CC1 ZINC001346216579 980788803 /nfs/dbraw/zinc/78/88/03/980788803.db2.gz FTBMNYTUPVOPCB-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)C ZINC001273584594 980807816 /nfs/dbraw/zinc/80/78/16/980807816.db2.gz VFAOFRFCCSZWIH-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(CC)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC001346382150 980822907 /nfs/dbraw/zinc/82/29/07/980822907.db2.gz REALVKRIVVJICM-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001189997008 980840812 /nfs/dbraw/zinc/84/08/12/980840812.db2.gz XNLREUHMSXYFGP-RSKUSDAESA-N 1 0 236.359 2.061 20 30 BEEDRO N#Cc1c(-c2ccoc2)ncc2c1CCC[NH2+]C2 ZINC001239686557 980844262 /nfs/dbraw/zinc/84/42/62/980844262.db2.gz SZSOHZCRZYAYNS-UHFFFAOYSA-N 1 0 239.278 2.249 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)[C@H](C)O ZINC001190456629 980874270 /nfs/dbraw/zinc/87/42/70/980874270.db2.gz BVLZFCIBJMDJGJ-STQMWFEESA-N 1 0 249.354 2.453 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC001346722711 980893425 /nfs/dbraw/zinc/89/34/25/980893425.db2.gz VYACQRRDXMKFEJ-QWHCGFSZSA-N 1 0 238.375 2.140 20 30 BEEDRO N#CCc1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239790679 980931121 /nfs/dbraw/zinc/93/11/21/980931121.db2.gz QDUAPAXLUGOGCU-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO N#CCc1cc(-c2cncc(C[NH3+])c2)ccc1F ZINC001239797756 980935763 /nfs/dbraw/zinc/93/57/63/980935763.db2.gz FGQZWBKKTWCIOO-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO N#Cc1c(F)cccc1-c1cncc(C[NH3+])c1 ZINC001239797256 980936073 /nfs/dbraw/zinc/93/60/73/980936073.db2.gz MUORYVKTUBESFE-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#CCc1cc(F)ccc1-c1cncc(C[NH3+])c1 ZINC001239798647 980939023 /nfs/dbraw/zinc/93/90/23/980939023.db2.gz RFWBLRLOWWPASW-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C[N@H+](CC1CCC(O)CC1)CC(C)(C)C#N ZINC001347122966 980982438 /nfs/dbraw/zinc/98/24/38/980982438.db2.gz ZKZFRJJRMJPBRF-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC001347583488 981122869 /nfs/dbraw/zinc/12/28/69/981122869.db2.gz KVEPRWCHGBWRDW-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO N#Cc1ccc(-c2cc(C[NH3+])ccn2)cc1F ZINC001240138749 981138254 /nfs/dbraw/zinc/13/82/54/981138254.db2.gz GDVYMROHBGZVRB-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C/C=C(\NC=[NH2+])c1ccc(C#N)c(F)c1 ZINC001240143200 981142778 /nfs/dbraw/zinc/14/27/78/981142778.db2.gz SKHKGOYJOCRVPJ-FUQNDXKWSA-N 1 0 203.220 2.255 20 30 BEEDRO N#Cc1ccc(-c2cccc(C[NH3+])n2)cc1F ZINC001240142807 981142833 /nfs/dbraw/zinc/14/28/33/981142833.db2.gz HQFWQPGOTVVRNL-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@]1(C)O ZINC001203757943 981161552 /nfs/dbraw/zinc/16/15/52/981161552.db2.gz XJDXABJBAVZIDP-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cccnc1N(C)C ZINC001347813169 981183494 /nfs/dbraw/zinc/18/34/94/981183494.db2.gz LENNOUDIUQKVRP-UHFFFAOYSA-N 1 0 233.359 2.449 20 30 BEEDRO C=CCCCCCN(C)c1nccnc1C[NH3+] ZINC001347999923 981242705 /nfs/dbraw/zinc/24/27/05/981242705.db2.gz DKNUIEVICHRVLQ-UHFFFAOYSA-N 1 0 234.347 2.118 20 30 BEEDRO C#Cc1ccc(NC[C@@H](C)[NH+](CC)CC)nc1 ZINC001348137953 981296623 /nfs/dbraw/zinc/29/66/23/981296623.db2.gz UFUWIUMVFGFSKJ-GFCCVEGCSA-N 1 0 231.343 2.205 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC001348241776 981314265 /nfs/dbraw/zinc/31/42/65/981314265.db2.gz BLZCZCGPUBIOMY-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1cc2c(nc1C1=CC[NH2+]CC1)CCCC2 ZINC001240465556 981396367 /nfs/dbraw/zinc/39/63/67/981396367.db2.gz BHANWUPJBJKBTQ-UHFFFAOYSA-N 1 0 239.322 2.209 20 30 BEEDRO C=C(C)c1cncc(C2=CC[NH2+]CC2)c1 ZINC001240468132 981403960 /nfs/dbraw/zinc/40/39/60/981403960.db2.gz YOFWIHYOSNXZAR-UHFFFAOYSA-N 1 0 200.285 2.491 20 30 BEEDRO N#Cc1ccc2c(c1)nccc2C1=CCC[NH2+]C1 ZINC001240665097 981576334 /nfs/dbraw/zinc/57/63/34/981576334.db2.gz UGMQWFXEGITJOX-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO Cc1cc(F)cc(C2=CCC[NH2+]C2)c1C#N ZINC001240665136 981576456 /nfs/dbraw/zinc/57/64/56/981576456.db2.gz VPCCVMQJBITTAY-UHFFFAOYSA-N 1 0 216.259 2.383 20 30 BEEDRO N#Cc1c(F)ccc(C2=CCC[NH2+]C2)c1F ZINC001240669828 981577224 /nfs/dbraw/zinc/57/72/24/981577224.db2.gz ANNMDKPGBPJMEC-UHFFFAOYSA-N 1 0 220.222 2.213 20 30 BEEDRO SCc1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240670739 981580123 /nfs/dbraw/zinc/58/01/23/981580123.db2.gz LMZNSTGAFDTJMT-UHFFFAOYSA-N 1 0 205.326 2.493 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCSCC#N)C(C)(C)O ZINC001194175103 981587537 /nfs/dbraw/zinc/58/75/37/981587537.db2.gz AHUQXZMTFJCEBS-NSHDSACASA-N 1 0 244.404 2.018 20 30 BEEDRO CCC[C@]1([NH2+]Cc2cc(C#N)ccn2)CCOC1 ZINC001194270045 981629257 /nfs/dbraw/zinc/62/92/57/981629257.db2.gz USMQVTBALIQUOI-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO C=CCOC(=O)NCC[N@@H+](CC)CCCC ZINC001194328183 981677386 /nfs/dbraw/zinc/67/73/86/981677386.db2.gz 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983272615 /nfs/dbraw/zinc/27/26/15/983272615.db2.gz QVNGWPWQOZXDKT-GXSJLCMTSA-N 1 0 225.357 2.307 20 30 BEEDRO CCc1ccc(C(C)(C)[NH2+]C[C@H](O)CC#N)cc1 ZINC001354486491 983313714 /nfs/dbraw/zinc/31/37/14/983313714.db2.gz QRXAMILFAPSMMO-CQSZACIVSA-N 1 0 246.354 2.348 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC1CC([NH2+]CC)C1 ZINC001100594579 983320591 /nfs/dbraw/zinc/32/05/91/983320591.db2.gz AWPBSNLJYIUGNX-HIFPTAJRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC(C)(C)C[NH3+] ZINC001354571439 983324677 /nfs/dbraw/zinc/32/46/77/983324677.db2.gz WVCVGEJJFODSBT-UHFFFAOYSA-N 1 0 240.391 2.470 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCCC[C@@H]1C(=O)OC)C1CC1 ZINC001354611088 983333910 /nfs/dbraw/zinc/33/39/10/983333910.db2.gz DLLXBVWEEBSPNH-OCCSQVGLSA-N 1 0 249.354 2.063 20 30 BEEDRO CN(c1cc(N)cc[nH+]1)c1ccc(C#N)cc1F ZINC001201566442 983334327 /nfs/dbraw/zinc/33/43/27/983334327.db2.gz FBDXQLORSYGJRI-UHFFFAOYSA-N 1 0 242.257 2.442 20 30 BEEDRO C#CCN(Cc1cn(C(C)C)nn1)C(C)(C)C ZINC001354952220 983387542 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/nfs/dbraw/zinc/72/94/68/983729468.db2.gz DQXZHXALUIKHCX-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001490555204 983732137 /nfs/dbraw/zinc/73/21/37/983732137.db2.gz CYGQAYSOKKETPX-LVOZBFFPSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)C(C)(C)CC)C1CC1 ZINC001490701668 983739416 /nfs/dbraw/zinc/73/94/16/983739416.db2.gz SRBLPULQDCZRIQ-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCc2cccnc21 ZINC000691804999 983785341 /nfs/dbraw/zinc/78/53/41/983785341.db2.gz JUXRJNIGKJRQDE-ZDUSSCGKSA-N 1 0 232.327 2.251 20 30 BEEDRO C=CCOC[C@H](O)C[NH+]1CCC(CCC)CC1 ZINC001252466244 983791954 /nfs/dbraw/zinc/79/19/54/983791954.db2.gz NTODTTWLUUSMSG-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC1(C)C ZINC001357892105 983801799 /nfs/dbraw/zinc/80/17/99/983801799.db2.gz PVNBXMXRGOQFQZ-RYUDHWBXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(C)cc1 ZINC001252539278 983805790 /nfs/dbraw/zinc/80/57/90/983805790.db2.gz RUWXHIPRLIGZOR-AWEZNQCLSA-N 1 0 219.328 2.064 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001252547957 983812600 /nfs/dbraw/zinc/81/26/00/983812600.db2.gz NPGHTSCXOAVTER-AVGNSLFASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001252548847 983813917 /nfs/dbraw/zinc/81/39/17/983813917.db2.gz WGSOPLRCEXOQAL-HUUCEWRRSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCCC2(CCC2)C1 ZINC001252555942 983816033 /nfs/dbraw/zinc/81/60/33/983816033.db2.gz CEHPENYPKPYIAN-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](CC)c1ncccc1C ZINC001252573537 983830131 /nfs/dbraw/zinc/83/01/31/983830131.db2.gz FVNRMMMWXAONJE-OCCSQVGLSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(F)c(F)c1 ZINC001252575949 983830754 /nfs/dbraw/zinc/83/07/54/983830754.db2.gz FZHIGYMDVWBFSF-ZDUSSCGKSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001252576070 983831246 /nfs/dbraw/zinc/83/12/46/983831246.db2.gz ICTFYNVXPUSYQX-ZIAGYGMSSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC001252576920 983831957 /nfs/dbraw/zinc/83/19/57/983831957.db2.gz QIKMBFKEUDVOQK-UWVGGRQHSA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCC1CCCC1 ZINC001252577129 983832406 /nfs/dbraw/zinc/83/24/06/983832406.db2.gz VAIZAEAVCIXDDB-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C(C)=O)cc1 ZINC001252580155 983833868 /nfs/dbraw/zinc/83/38/68/983833868.db2.gz BFJFQLBLFHTWEJ-XHDPSFHLSA-N 1 0 247.338 2.477 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCOc2ccc(C)cc21 ZINC001252582862 983834906 /nfs/dbraw/zinc/83/49/06/983834906.db2.gz XWFRFOCWKCIPIS-ZFWWWQNUSA-N 1 0 247.338 2.345 20 30 BEEDRO C=CC[C@]1(C(=O)NCCC2CC=CC2)CCC[NH2+]1 ZINC001358195032 983837489 /nfs/dbraw/zinc/83/74/89/983837489.db2.gz VTZSXJFSYXNDRC-OAHLLOKOSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1(C)CCCC1 ZINC001252589260 983840394 /nfs/dbraw/zinc/84/03/94/983840394.db2.gz LZDXGUPLVRNMGP-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@@H](O)CNc1ccccc1C[NH+](C)C ZINC001252609540 983844144 /nfs/dbraw/zinc/84/41/44/983844144.db2.gz XHWUREMWTDZWLA-CQSZACIVSA-N 1 0 248.370 2.487 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1F ZINC001252612363 983846580 /nfs/dbraw/zinc/84/65/80/983846580.db2.gz LTTIADUYUPVKOG-QJPTWQEYSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1(c2ccccn2)CC1 ZINC001252618236 983853659 /nfs/dbraw/zinc/85/36/59/983853659.db2.gz PUYSVWABRCAMDP-CYBMUJFWSA-N 1 0 246.354 2.030 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001358354393 983855508 /nfs/dbraw/zinc/85/55/08/983855508.db2.gz QPXKHWBTRAPVGE-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001358354394 983855642 /nfs/dbraw/zinc/85/56/42/983855642.db2.gz QPXKHWBTRAPVGE-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)C[Si](C)(C)C ZINC001473432308 983885580 /nfs/dbraw/zinc/88/55/80/983885580.db2.gz PSXBSIKXSOJTSC-UHFFFAOYSA-N 1 0 228.456 2.304 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@]1(CC)CC[NH2+]C1 ZINC001358506143 983880677 /nfs/dbraw/zinc/88/06/77/983880677.db2.gz PBPVWQGPGVKMLX-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccncc1C ZINC001473431979 983886448 /nfs/dbraw/zinc/88/64/48/983886448.db2.gz NGTRFNCJWFHYJZ-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO CC=C(NC=[NH2+])c1ccc(F)cc1C#N ZINC001242581445 983894168 /nfs/dbraw/zinc/89/41/68/983894168.db2.gz WPOMABAMCLNCFW-FUQNDXKWSA-N 1 0 203.220 2.255 20 30 BEEDRO N#Cc1cc(F)ccc1-c1ccnc(C[NH3+])c1 ZINC001242582384 983896465 /nfs/dbraw/zinc/89/64/65/983896465.db2.gz DGYNEFWQXVBRDW-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2nccnc2c1 ZINC001137088965 983934203 /nfs/dbraw/zinc/93/42/03/983934203.db2.gz USMDPQVSORBVAZ-UHFFFAOYSA-N 1 0 213.284 2.248 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)CN(C)C(C)=O ZINC001571374886 984029023 /nfs/dbraw/zinc/02/90/23/984029023.db2.gz LZKQAUUXTAEELF-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(F)F ZINC001571374771 984027917 /nfs/dbraw/zinc/02/79/17/984027917.db2.gz JJYOMJOEYSDLDF-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO N#Cc1cc(-c2ccc3c(c2)C[NH2+]C3)cnc1F ZINC001242674841 984042758 /nfs/dbraw/zinc/04/27/58/984042758.db2.gz YKZUOBSZICAPEE-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO Cc1cnc(C2=CC(=O)C[C@H](C)C2)c(C[NH3+])c1 ZINC001242736240 984080386 /nfs/dbraw/zinc/08/03/86/984080386.db2.gz GPQSFQKHTRQKKP-SECBINFHSA-N 1 0 230.311 2.231 20 30 BEEDRO Cc1c[nH+]c(C2=CC(=O)C[C@H](C)C2)cc1N ZINC001242737686 984084200 /nfs/dbraw/zinc/08/42/00/984084200.db2.gz MVYRRFIKSPBLCQ-MRVPVSSYSA-N 1 0 216.284 2.355 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]CC=C)C12CCC2 ZINC001202593191 984115207 /nfs/dbraw/zinc/11/52/07/984115207.db2.gz YKXCKHUIGKCTCP-STQMWFEESA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]CC=C)C12CCC2 ZINC001202593189 984116416 /nfs/dbraw/zinc/11/64/16/984116416.db2.gz YKXCKHUIGKCTCP-OLZOCXBDSA-N 1 0 248.370 2.156 20 30 BEEDRO Cc1cc(-c2cc(C[NH3+])ccn2)ccc1C#N ZINC001242766161 984141099 /nfs/dbraw/zinc/14/10/99/984141099.db2.gz MZAXHADPFOZZFL-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO CCC[N@H+](CCC#N)CCC1CCOCC1 ZINC001202660563 984147078 /nfs/dbraw/zinc/14/70/78/984147078.db2.gz HCCHXVUYITYNMT-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)/C(C)=C/CC ZINC001318505060 984180916 /nfs/dbraw/zinc/18/09/16/984180916.db2.gz YBJHOLBHCUQOPE-SRXBQZRASA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCN1CC[C@@]2(CCC[N@@H+](C3CC3)CC2)C1=O ZINC001274008535 984227799 /nfs/dbraw/zinc/22/77/99/984227799.db2.gz DTCURYUVSWBPPH-HNNXBMFYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C[C@@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC001253566729 984231632 /nfs/dbraw/zinc/23/16/32/984231632.db2.gz FRHYWDKZCCEBLP-CQSZACIVSA-N 1 0 219.328 2.444 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC001253567002 984236532 /nfs/dbraw/zinc/23/65/32/984236532.db2.gz JEIBMMQQJMIWDJ-WCQYABFASA-N 1 0 217.312 2.153 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ncc(C#N)cc2F)cc1 ZINC001242990751 984353649 /nfs/dbraw/zinc/35/36/49/984353649.db2.gz SWHJNXLDQXQCCD-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cc(C)nc(C#N)n2)c1 ZINC001242994598 984358141 /nfs/dbraw/zinc/35/81/41/984358141.db2.gz MJIYOVXAOAAPHB-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccc(C#N)c(F)n2)c1 ZINC001242994749 984358832 /nfs/dbraw/zinc/35/88/32/984358832.db2.gz QBCLEKYOEAYTAT-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncc(C#N)cc2C#N)c1 ZINC001242995276 984359217 /nfs/dbraw/zinc/35/92/17/984359217.db2.gz JENBNSJIFFKQMQ-UHFFFAOYSA-N 1 0 248.289 2.211 20 30 BEEDRO C[NH2+]Cc1cccc(-c2nc(C)cnc2C#N)c1 ZINC001242997105 984360609 /nfs/dbraw/zinc/36/06/09/984360609.db2.gz ZKSOGGIJQLJISB-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)c1ccsc1 ZINC001274671617 984363799 /nfs/dbraw/zinc/36/37/99/984363799.db2.gz WHQKNJVSXAQAGQ-SNVBAGLBSA-N 1 0 238.356 2.032 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C/C=C/c1ccccc1 ZINC000717909582 984365151 /nfs/dbraw/zinc/36/51/51/984365151.db2.gz VGWHGKAPXFAXKI-VSGCLNPGSA-N 1 0 229.323 2.064 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@H](C)[NH2+]CCF ZINC001274763284 984376913 /nfs/dbraw/zinc/37/69/13/984376913.db2.gz KCZNYLIRNPASEC-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]CCCC ZINC001274773318 984378101 /nfs/dbraw/zinc/37/81/01/984378101.db2.gz MHPYYPUXLGKCJF-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C)CCC ZINC001275099509 984487477 /nfs/dbraw/zinc/48/74/77/984487477.db2.gz ZMYCBTATWJVLRW-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]CC1CC(NC(=O)C(C)(C)C)C1 ZINC001275310372 984533429 /nfs/dbraw/zinc/53/34/29/984533429.db2.gz HQMQIHVEMPRLDV-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCCCC(C)(C)C ZINC001443727224 984537884 /nfs/dbraw/zinc/53/78/84/984537884.db2.gz QXHXCYATMYGOSO-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC001275328349 984539452 /nfs/dbraw/zinc/53/94/52/984539452.db2.gz ONUSJTTUMUOIKH-QWRGUYRKSA-N 1 0 246.782 2.125 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC001444289886 984550605 /nfs/dbraw/zinc/55/06/05/984550605.db2.gz DNXZTTRCPPQTQG-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001275415253 984555769 /nfs/dbraw/zinc/55/57/69/984555769.db2.gz OAUFBDTZHMIZDD-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C[Si](C)(C)C#Cc1ccnc(C2=CC[NH2+]C2)c1 ZINC001243109362 984563421 /nfs/dbraw/zinc/56/34/21/984563421.db2.gz YDLQUYGIQIAFMV-UHFFFAOYSA-N 1 0 242.398 2.297 20 30 BEEDRO N#Cc1ccc2cc(C3=CC[NH2+]C3)ccc2n1 ZINC001243111517 984578507 /nfs/dbraw/zinc/57/85/07/984578507.db2.gz QNJJNZUHZSADTI-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)C[C@@H](C)CC ZINC001275519846 984593403 /nfs/dbraw/zinc/59/34/03/984593403.db2.gz BUIGLHSALKKYLS-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001275947706 984736985 /nfs/dbraw/zinc/73/69/85/984736985.db2.gz XZXAEUBUNKRUJJ-CHWSQXEVSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](CC)[C@@H]1C ZINC001448029764 984805392 /nfs/dbraw/zinc/80/53/92/984805392.db2.gz WWLRFUGDRYDBJY-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCCC1=O ZINC001256965348 984847132 /nfs/dbraw/zinc/84/71/32/984847132.db2.gz RVHXVFLXYKSQKX-HIFPTAJRSA-N 1 0 234.343 2.370 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CCO[C@@H](C)C#N)s1 ZINC000685989331 985021995 /nfs/dbraw/zinc/02/19/95/985021995.db2.gz YZWOHEREJKQCSQ-JTQLQIEISA-N 1 0 238.356 2.417 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1C2CCCC1CCC2 ZINC000686015155 985041731 /nfs/dbraw/zinc/04/17/31/985041731.db2.gz YICCPMJFMGSNQZ-PNESKVBLSA-N 1 0 222.332 2.322 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000686014882 985043358 /nfs/dbraw/zinc/04/33/58/985043358.db2.gz PSVIWNRZJSYCBV-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCOc1ccccc1-c1ccc(C[NH3+])nc1 ZINC001243584049 985143821 /nfs/dbraw/zinc/14/38/21/985143821.db2.gz HGACTROPVHWKPF-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](C)CC[NH+](C)C ZINC001456843675 985174154 /nfs/dbraw/zinc/17/41/54/985174154.db2.gz KBVYRFYCBPNMJX-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C#CCCCCC[N@@H+]1CCOCC12CCC2 ZINC000686675551 985199323 /nfs/dbraw/zinc/19/93/23/985199323.db2.gz YRQFEXFYMZDTOZ-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000686682894 985201209 /nfs/dbraw/zinc/20/12/09/985201209.db2.gz FFVCYUUYOCWERH-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCC[NH2+][C@H](CO)C1CCCC1 ZINC000686683149 985202792 /nfs/dbraw/zinc/20/27/92/985202792.db2.gz MDFXJAXUBAXRKQ-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC001257663897 985245020 /nfs/dbraw/zinc/24/50/20/985245020.db2.gz HCPVRHMFYLVBGR-OLZOCXBDSA-N 1 0 240.416 2.122 20 30 BEEDRO CO[C@@H]1CC[C@H](C)[N@H+](CCCCC#N)C1 ZINC000687216814 985267228 /nfs/dbraw/zinc/26/72/28/985267228.db2.gz WYNFYFOIACYRNR-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC001258044343 985345512 /nfs/dbraw/zinc/34/55/12/985345512.db2.gz LZHIWCWOBCALBX-MELADBBJSA-N 1 0 243.391 2.020 20 30 BEEDRO N#C[C@H]1CC=C(c2ccc3c(n2)C[NH2+]CC3)CC1 ZINC001243801105 985373701 /nfs/dbraw/zinc/37/37/01/985373701.db2.gz WUNVPGFNMNOWRZ-NSHDSACASA-N 1 0 239.322 2.434 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)[C@H](C)O ZINC001459401482 985487103 /nfs/dbraw/zinc/48/71/03/985487103.db2.gz UPJOWHBFKVNMCZ-STQMWFEESA-N 1 0 244.338 2.316 20 30 BEEDRO C#CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)cc1 ZINC001138556164 985555544 /nfs/dbraw/zinc/55/55/44/985555544.db2.gz IMWQTSZHKGLLNT-DOMZBBRYSA-N 1 0 247.313 2.488 20 30 BEEDRO N#CCc1ccc(/C=C/C2CC[NH2+]CC2)nc1 ZINC001243893440 985561637 /nfs/dbraw/zinc/56/16/37/985561637.db2.gz QKCYMLIMFRPPSI-HNQUOIGGSA-N 1 0 227.311 2.160 20 30 BEEDRO Cc1ccc(CC#N)c(/C=C/C2CC[NH2+]CC2)n1 ZINC001243894236 985570109 /nfs/dbraw/zinc/57/01/09/985570109.db2.gz HZGFDTOMNCQMMR-HWKANZROSA-N 1 0 241.338 2.469 20 30 BEEDRO C=CC[N@@H+](Cc1cccc(N(C)C)n1)C1CC1 ZINC001459814395 985632354 /nfs/dbraw/zinc/63/23/54/985632354.db2.gz NTRCRKHRNDLVGW-UHFFFAOYSA-N 1 0 231.343 2.298 20 30 BEEDRO Cc1cc(C#N)ccc1N1CC[C@H](C[NH+](C)C)C1 ZINC000688464800 985650904 /nfs/dbraw/zinc/65/09/04/985650904.db2.gz DNFCDWJZCLFBTQ-CQSZACIVSA-N 1 0 243.354 2.255 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnn(CCC)c2C)C1 ZINC001138640325 985653482 /nfs/dbraw/zinc/65/34/82/985653482.db2.gz NFZIPTUKNZDAJG-AWEZNQCLSA-N 1 0 245.370 2.447 20 30 BEEDRO COC(=O)c1ccc(C#N)cc1C1=C[NH2+]CCC1 ZINC001243952454 985659449 /nfs/dbraw/zinc/65/94/49/985659449.db2.gz QBRFREKMMBBZEL-UHFFFAOYSA-N 1 0 242.278 2.069 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CO1 ZINC000688524171 985664491 /nfs/dbraw/zinc/66/44/91/985664491.db2.gz ORHMQNDTGONSFL-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO COc1ccc(C2=C[NH2+]CCC2)cc1CC#N ZINC001243953459 985667806 /nfs/dbraw/zinc/66/78/06/985667806.db2.gz XVKJCOKJVZDNOM-UHFFFAOYSA-N 1 0 228.295 2.486 20 30 BEEDRO CCCCCCCCC[C@H](C)[NH2+]C[C@@H](O)CO ZINC001258230391 985682122 /nfs/dbraw/zinc/68/21/22/985682122.db2.gz UNIBJLWANTVTSU-UONOGXRCSA-N 1 0 245.407 2.458 20 30 BEEDRO CC[C@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)CC#N ZINC001459970689 985682147 /nfs/dbraw/zinc/68/21/47/985682147.db2.gz RBKQGNBYANLQTA-YNEHKIRRSA-N 1 0 224.348 2.162 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCc1scnc1C ZINC001460031256 985706301 /nfs/dbraw/zinc/70/63/01/985706301.db2.gz RQKPMNSCDIUPAH-JTQLQIEISA-N 1 0 222.357 2.338 20 30 BEEDRO N#Cc1ccnc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001460222532 985805872 /nfs/dbraw/zinc/80/58/72/985805872.db2.gz GAMMLVOHQKFTSA-KWCYVHTRSA-N 1 0 227.311 2.231 20 30 BEEDRO N#Cc1cc(-c2ccccc2CC[NH3+])ccc1N ZINC001244115183 985824949 /nfs/dbraw/zinc/82/49/49/985824949.db2.gz SYJBRHUUSPPTSN-UHFFFAOYSA-N 1 0 237.306 2.309 20 30 BEEDRO N#Cc1cc(-c2ccc3[nH]c(N)[nH+]c3c2)ccc1N ZINC001244114898 985826202 /nfs/dbraw/zinc/82/62/02/985826202.db2.gz JYQXVGXZRDRGLV-UHFFFAOYSA-N 1 0 249.277 2.266 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC001460523870 985860351 /nfs/dbraw/zinc/86/03/51/985860351.db2.gz RVNQTOOUWLBMBJ-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO CC#CC[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001460687300 985876597 /nfs/dbraw/zinc/87/65/97/985876597.db2.gz DQWXDJAKXCMLGH-NSHDSACASA-N 1 0 211.374 2.473 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccc(N)c(CC)c1 ZINC001244291438 985927578 /nfs/dbraw/zinc/92/75/78/985927578.db2.gz HJFZFWTYCZZRMI-FYWRMAATSA-N 1 0 218.300 2.410 20 30 BEEDRO N#Cc1ccc(-c2cc(C[NH3+])ncn2)c(Cl)c1 ZINC001244328608 985956984 /nfs/dbraw/zinc/95/69/84/985956984.db2.gz GKUWNNHWFQGCMK-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)[C@H](C)CCO1 ZINC001460966279 985966647 /nfs/dbraw/zinc/96/66/47/985966647.db2.gz VIHAZQWRQHZOPI-GHMZBOCLSA-N 1 0 234.299 2.151 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@]2(CCOC2=O)C1 ZINC001460978085 985975647 /nfs/dbraw/zinc/97/56/47/985975647.db2.gz UZLVBTUGGSBALX-CQSZACIVSA-N 1 0 237.343 2.372 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cc(C)cc(C)c2C1 ZINC001460978363 985980603 /nfs/dbraw/zinc/98/06/03/985980603.db2.gz QDPVPXMKRUMVLN-UHFFFAOYSA-N 1 0 243.350 2.311 20 30 BEEDRO C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C(C)C)C1 ZINC001276342850 986037931 /nfs/dbraw/zinc/03/79/31/986037931.db2.gz SCVVNYQEBJPVBH-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC001258719362 986049016 /nfs/dbraw/zinc/04/90/16/986049016.db2.gz BXCNGDXXUAVYHV-QWRGUYRKSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC001258721414 986053755 /nfs/dbraw/zinc/05/37/55/986053755.db2.gz VDDJIMPTSXRTFZ-NSHDSACASA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@@H](C)n1c(C)nc2c1C[NH2+]CC2 ZINC001258732809 986076041 /nfs/dbraw/zinc/07/60/41/986076041.db2.gz QMTBNWNUYZZYCZ-SNVBAGLBSA-N 1 0 219.332 2.364 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001258732857 986077025 /nfs/dbraw/zinc/07/70/25/986077025.db2.gz QZTCREIJFMQZBJ-NEPJUHHUSA-N 1 0 244.329 2.366 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC001258733881 986093505 /nfs/dbraw/zinc/09/35/05/986093505.db2.gz NMLQDBOWLZFNOQ-STQMWFEESA-N 1 0 234.347 2.270 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCc2c(ncnc2OC)C1 ZINC001258734971 986099723 /nfs/dbraw/zinc/09/97/23/986099723.db2.gz LOXVYBIDZRTEAW-LLVKDONJSA-N 1 0 247.342 2.198 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)Cc1ccncn1 ZINC001258736049 986105666 /nfs/dbraw/zinc/10/56/66/986105666.db2.gz JGWZQYMQOUMOAK-NSHDSACASA-N 1 0 205.305 2.263 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001253577181 986121099 /nfs/dbraw/zinc/12/10/99/986121099.db2.gz SFELBAIASXSEKF-JTQLQIEISA-N 1 0 231.286 2.045 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C=C/c1cccc(F)c1 ZINC001461728697 986123533 /nfs/dbraw/zinc/12/35/33/986123533.db2.gz IFDLNYOZOSVEJV-KEDPEKRHSA-N 1 0 247.313 2.203 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001253578954 986130764 /nfs/dbraw/zinc/13/07/64/986130764.db2.gz KMSDQFFCJIAWFB-GFCCVEGCSA-N 1 0 225.719 2.319 20 30 BEEDRO C=C[C@H](O)C[N@H+](C)CCc1ccccc1Cl ZINC001253579055 986135662 /nfs/dbraw/zinc/13/56/62/986135662.db2.gz MGCXSNIQCAEWAK-LBPRGKRZSA-N 1 0 239.746 2.361 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001461730662 986141625 /nfs/dbraw/zinc/14/16/25/986141625.db2.gz VBHRCKCERPOMBN-CQSZACIVSA-N 1 0 242.322 2.032 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC001253583340 986146337 /nfs/dbraw/zinc/14/63/37/986146337.db2.gz FQASHMVFIFZKSB-YPMHNXCESA-N 1 0 235.327 2.235 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@H](C)c1ccccc1OC ZINC001253583351 986151702 /nfs/dbraw/zinc/15/17/02/986151702.db2.gz FUHMPRYEKIEPAG-NEPJUHHUSA-N 1 0 235.327 2.235 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001253586882 986169648 /nfs/dbraw/zinc/16/96/48/986169648.db2.gz UESPCSPPEPWRAK-UPJWGTAASA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001253586861 986170863 /nfs/dbraw/zinc/17/08/63/986170863.db2.gz TXYFAIJFXAQKNJ-ZIAGYGMSSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001253587750 986179020 /nfs/dbraw/zinc/17/90/20/986179020.db2.gz FWZHVXGPILNKOX-GXTWGEPZSA-N 1 0 217.312 2.153 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(OCCC)cc1 ZINC001253598575 986227259 /nfs/dbraw/zinc/22/72/59/986227259.db2.gz VURQUBQAJAZKTP-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(SC)cc1 ZINC001253598173 986227660 /nfs/dbraw/zinc/22/76/60/986227660.db2.gz POOMKCIVLNFHQU-LLVKDONJSA-N 1 0 223.341 2.045 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001253599920 986235227 /nfs/dbraw/zinc/23/52/27/986235227.db2.gz BEYSPURIDJKAQH-BXKDBHETSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001253599871 986235816 /nfs/dbraw/zinc/23/58/16/986235816.db2.gz ADRVXZTXAIDDBD-JEFIIJIESA-N 1 0 221.344 2.092 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccccc1NC ZINC001461986224 986248925 /nfs/dbraw/zinc/24/89/25/986248925.db2.gz LLCKPKICZXZRDB-UHFFFAOYSA-N 1 0 202.301 2.183 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccc(OC)cc1 ZINC001253602351 986252323 /nfs/dbraw/zinc/25/23/23/986252323.db2.gz HAAIVTRMGFMIHP-LBPRGKRZSA-N 1 0 235.327 2.067 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC001253602123 986253774 /nfs/dbraw/zinc/25/37/74/986253774.db2.gz CLIHSNOWJNUERH-TZMCWYRMSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC001253603555 986258288 /nfs/dbraw/zinc/25/82/88/986258288.db2.gz YCYYLQJOGQIZIX-IGQOVBAYSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001253605282 986262433 /nfs/dbraw/zinc/26/24/33/986262433.db2.gz QOHQKDXNNZIORZ-NOZJJQNGSA-N 1 0 237.730 2.464 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C)cc1O ZINC001462023618 986264688 /nfs/dbraw/zinc/26/46/88/986264688.db2.gz PAPMSBFHEKTFMM-UHFFFAOYSA-N 1 0 203.285 2.204 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001253607182 986266328 /nfs/dbraw/zinc/26/63/28/986266328.db2.gz SHQRMGAVNYOKST-JSGCOSHPSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccc(OC)cc2)CCC1 ZINC001253606962 986266606 /nfs/dbraw/zinc/26/66/06/986266606.db2.gz OXDSZJXAQIGAHW-CYBMUJFWSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1cccc(F)c1 ZINC001253605288 986267571 /nfs/dbraw/zinc/26/75/71/986267571.db2.gz QOVFZCBGTRBIBR-QWHCGFSZSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C=C ZINC001253608048 986268519 /nfs/dbraw/zinc/26/85/19/986268519.db2.gz HMDCXJXWCAZMCA-STQMWFEESA-N 1 0 247.338 2.449 20 30 BEEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C=C ZINC001253608045 986268951 /nfs/dbraw/zinc/26/89/51/986268951.db2.gz HMDCXJXWCAZMCA-CHWSQXEVSA-N 1 0 247.338 2.449 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc2ccoc2c1 ZINC001253609699 986275769 /nfs/dbraw/zinc/27/57/69/986275769.db2.gz XUXUOMZYLGPCFJ-LBPRGKRZSA-N 1 0 217.268 2.069 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001462229701 986317417 /nfs/dbraw/zinc/31/74/17/986317417.db2.gz IWISBLPTKXGQQP-RNJOBUHISA-N 1 0 209.333 2.092 20 30 BEEDRO Cc1c(C#N)cccc1-c1cccc(C[NH3+])n1 ZINC001244816190 986354950 /nfs/dbraw/zinc/35/49/50/986354950.db2.gz LUXWURBBUZLALI-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO CC(C)[C@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253780155 986415523 /nfs/dbraw/zinc/41/55/23/986415523.db2.gz CTFHYOMEMNXSBA-IYXRBSQSSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccn1C(F)F ZINC001462532819 986420928 /nfs/dbraw/zinc/42/09/28/986420928.db2.gz JISBMMMEARDKIT-SNVBAGLBSA-N 1 0 244.285 2.300 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)c(OC)n1)C(C)C ZINC001462631398 986464707 /nfs/dbraw/zinc/46/47/07/986464707.db2.gz ZVESJVGNTHMARH-UHFFFAOYSA-N 1 0 232.327 2.242 20 30 BEEDRO C#CCCCCCCc1cn(CCCC[NH3+])nn1 ZINC001254158283 986533854 /nfs/dbraw/zinc/53/38/54/986533854.db2.gz SYQLJCNQHOBPDO-UHFFFAOYSA-N 1 0 248.374 2.143 20 30 BEEDRO N#Cc1cccc(-c2c[nH+]ccc2N)c1F ZINC001245069409 986617268 /nfs/dbraw/zinc/61/72/68/986617268.db2.gz UGGJXSODAWJULZ-UHFFFAOYSA-N 1 0 213.215 2.172 20 30 BEEDRO N#C[C@@H]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001254637322 986684275 /nfs/dbraw/zinc/68/42/75/986684275.db2.gz QKUMHOIMGHTZEU-TZMCWYRMSA-N 1 0 229.327 2.292 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001254637225 986684305 /nfs/dbraw/zinc/68/43/05/986684305.db2.gz PIOJDIVQMWGGKJ-QWHCGFSZSA-N 1 0 230.311 2.217 20 30 BEEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1cnccn1 ZINC001254636386 986685663 /nfs/dbraw/zinc/68/56/63/986685663.db2.gz KEHUTAVEKAGHJP-VXGBXAGGSA-N 1 0 244.342 2.036 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001254639816 986689906 /nfs/dbraw/zinc/68/99/06/986689906.db2.gz XNWDUWPUARCHGC-BXKDBHETSA-N 1 0 246.289 2.218 20 30 BEEDRO N#C[C@@H]1CC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001254641644 986691370 /nfs/dbraw/zinc/69/13/70/986691370.db2.gz CMZWMTORCKDUIW-PWSUYJOCSA-N 1 0 240.310 2.360 20 30 BEEDRO C[N@H+](C1CC1)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254672476 986720561 /nfs/dbraw/zinc/72/05/61/986720561.db2.gz BOVGDUGOMLFLAP-WFASDCNBSA-N 1 0 247.386 2.237 20 30 BEEDRO CCCC[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669271 986721475 /nfs/dbraw/zinc/72/14/75/986721475.db2.gz QAUTUMWVNQBQHG-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001254673838 986725078 /nfs/dbraw/zinc/72/50/78/986725078.db2.gz PYJOISNLBUJHBD-YPMHNXCESA-N 1 0 227.311 2.132 20 30 BEEDRO N#Cc1ccc(C(=[NH2+])NC2CCSCC2)cc1 ZINC001255080879 986804506 /nfs/dbraw/zinc/80/45/06/986804506.db2.gz GZJJCKUTFIUNND-UHFFFAOYSA-N 1 0 245.351 2.159 20 30 BEEDRO CC[C@@H](CC#N)n1cc(CC[NH3+])c2ncccc21 ZINC001255154234 986824982 /nfs/dbraw/zinc/82/49/82/986824982.db2.gz FPAJEEIMWXTYLZ-LBPRGKRZSA-N 1 0 242.326 2.402 20 30 BEEDRO CC[C@@H](CC#N)n1cnc2ccc(C[NH3+])cc21 ZINC001255155906 986829381 /nfs/dbraw/zinc/82/93/81/986829381.db2.gz VEOGRGQPTFNKEI-NSHDSACASA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@@H](C(=O)OC)CC1 ZINC001255155914 986830308 /nfs/dbraw/zinc/83/03/08/986830308.db2.gz VIATWTHPWDEIEW-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000384181156 986844567 /nfs/dbraw/zinc/84/45/67/986844567.db2.gz QDDKQECALYMGBD-JHJVBQTASA-N 1 0 209.333 2.336 20 30 BEEDRO C#C[C@](C)(CC)Nc1[nH+]cc(C)cc1N ZINC000384137866 986845543 /nfs/dbraw/zinc/84/55/43/986845543.db2.gz CLPHPKWRMHKWNR-GFCCVEGCSA-N 1 0 203.289 2.186 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000384181158 986845794 /nfs/dbraw/zinc/84/57/94/986845794.db2.gz QDDKQECALYMGBD-YNEHKIRRSA-N 1 0 209.333 2.336 20 30 BEEDRO CC[C@@H](CC#N)N1CCC([NH+](CC)CC)CC1 ZINC000384233196 986847341 /nfs/dbraw/zinc/84/73/41/986847341.db2.gz GRYYJQKWAAPKQY-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)C=C(C)C ZINC001265750187 986859972 /nfs/dbraw/zinc/85/99/72/986859972.db2.gz HKGHHKPICKIHCO-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO CC[C@H](CC#N)n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001255173738 986867112 /nfs/dbraw/zinc/86/71/12/986867112.db2.gz DELXQPVSHYPKMZ-VXGBXAGGSA-N 1 0 232.331 2.215 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC001137403387 986880723 /nfs/dbraw/zinc/88/07/23/986880723.db2.gz LJCIRXKEUFHCOT-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137404522 986882012 /nfs/dbraw/zinc/88/20/12/986882012.db2.gz MAEQAHUNDBNDHJ-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H](C)CCC ZINC000827823781 986933101 /nfs/dbraw/zinc/93/31/01/986933101.db2.gz TYMCCRLVXYWSLZ-ZDUSSCGKSA-N 1 0 211.349 2.394 20 30 BEEDRO N#CCc1ccc(-c2ccncc2C[NH3+])c(F)c1 ZINC001245558796 986951006 /nfs/dbraw/zinc/95/10/06/986951006.db2.gz VOHWGVHGJMTJPH-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO [NH3+]Cc1cnccc1-c1ccc(/C=N/O)c(F)c1 ZINC001245561473 986958969 /nfs/dbraw/zinc/95/89/69/986958969.db2.gz WGAYLQDDDMXMRP-CAOOACKPSA-N 1 0 245.257 2.155 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001490926580 987096476 /nfs/dbraw/zinc/09/64/76/987096476.db2.gz QZWSINUECUTSQV-JOCQHMNTSA-N 1 0 248.370 2.156 20 30 BEEDRO N#Cc1ncc(F)cc1-c1ccc2c[nH+]cn2c1 ZINC001245896094 987107434 /nfs/dbraw/zinc/10/74/34/987107434.db2.gz JBPMQOVDECCFDG-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001491404243 987145715 /nfs/dbraw/zinc/14/57/15/987145715.db2.gz RTYRTTSPXNBZNE-RDQDRAATSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CCCC ZINC001491396901 987148539 /nfs/dbraw/zinc/14/85/39/987148539.db2.gz GDBKGGIMRBOFME-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO Cc1cc(NCCC[NH+]2CCCC2)ncc1C#N ZINC001472644162 987264356 /nfs/dbraw/zinc/26/43/56/987264356.db2.gz SYZUZSCAKRWMAG-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC)C1 ZINC001103977935 987269359 /nfs/dbraw/zinc/26/93/59/987269359.db2.gz NAIDEEHDDVDGGD-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](CC)CN ZINC001246000604 987286361 /nfs/dbraw/zinc/28/63/61/987286361.db2.gz LPCGXAMDBLQODF-KBPBESRZSA-N 1 0 244.423 2.425 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC1(O)CCCCCC1 ZINC001473138883 987344899 /nfs/dbraw/zinc/34/48/99/987344899.db2.gz JDGAVPTZNMYTKB-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO N#Cc1c(F)cccc1OC[C@H]1CCCC[NH2+]C1 ZINC000697090938 987351938 /nfs/dbraw/zinc/35/19/38/987351938.db2.gz SULRSYMJGRSAST-NSHDSACASA-N 1 0 248.301 2.466 20 30 BEEDRO N#C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246073586 987359878 /nfs/dbraw/zinc/35/98/78/987359878.db2.gz IBMAWLHZTQZXLL-IZGVIRRGSA-N 1 0 241.338 2.124 20 30 BEEDRO CC1(C#N)CC[NH+](CCc2cncs2)CC1 ZINC001473306110 987396055 /nfs/dbraw/zinc/39/60/55/987396055.db2.gz RAECGCITZVUYSQ-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCCCC1 ZINC000799714844 987396083 /nfs/dbraw/zinc/39/60/83/987396083.db2.gz GXLNTQCGWVWLAY-RDBSUJKOSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC001116401334 987550935 /nfs/dbraw/zinc/55/09/35/987550935.db2.gz HQUYSTVUSYAAJS-HNNXBMFYSA-N 1 0 247.313 2.395 20 30 BEEDRO C#CCOCC[N@H+](C)CCCc1cccc(F)c1 ZINC001116505089 987608659 /nfs/dbraw/zinc/60/86/59/987608659.db2.gz BSFGKQPUOAVJEA-UHFFFAOYSA-N 1 0 249.329 2.340 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001116542330 987622371 /nfs/dbraw/zinc/62/23/71/987622371.db2.gz RKJMKUAZYYBJEW-OAHLLOKOSA-N 1 0 242.322 2.335 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCSC)C1 ZINC001116555295 987624959 /nfs/dbraw/zinc/62/49/59/987624959.db2.gz DTOXRNPGHQNVHL-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC001116575473 987634234 /nfs/dbraw/zinc/63/42/34/987634234.db2.gz BQRZPVDZSYGDHI-CQSZACIVSA-N 1 0 233.311 2.169 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cn(CCC)nc1C ZINC001474150388 987649238 /nfs/dbraw/zinc/64/92/38/987649238.db2.gz JWTISVNTNHRINP-KGLIPLIRSA-N 1 0 249.358 2.035 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC001474165333 987653854 /nfs/dbraw/zinc/65/38/54/987653854.db2.gz KSXYCVCIMDLJIZ-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC001474254292 987668365 /nfs/dbraw/zinc/66/83/65/987668365.db2.gz ZSLKKGFHOQUFFK-OAHLLOKOSA-N 1 0 231.339 2.113 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1COCCN1 ZINC001246281624 987675413 /nfs/dbraw/zinc/67/54/13/987675413.db2.gz XCRPVKVSZNISSV-ZIAGYGMSSA-N 1 0 242.407 2.313 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1COCCN1 ZINC001246281622 987676862 /nfs/dbraw/zinc/67/68/62/987676862.db2.gz XCRPVKVSZNISSV-UONOGXRCSA-N 1 0 242.407 2.313 20 30 BEEDRO CCC(CC)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246306410 987705555 /nfs/dbraw/zinc/70/55/55/987705555.db2.gz VGVALFSATXKYMT-UHFFFAOYSA-N 1 0 248.326 2.367 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1nc(C)sc1C ZINC001116792399 987713831 /nfs/dbraw/zinc/71/38/31/987713831.db2.gz QMEILFAZYINDFJ-MRVPVSSYSA-N 1 0 208.330 2.213 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C1CN(C(=O)OC)C1 ZINC001474459225 987720789 /nfs/dbraw/zinc/72/07/89/987720789.db2.gz WWJRHJJSWBJOKC-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001474478745 987724685 /nfs/dbraw/zinc/72/46/85/987724685.db2.gz BPUQIXLWGHXVGT-QJPTWQEYSA-N 1 0 227.348 2.471 20 30 BEEDRO C#C[C@H](C)[NH2+]CCSc1ccc(OC)cc1 ZINC001474513440 987738316 /nfs/dbraw/zinc/73/83/16/987738316.db2.gz QBJABIOVAUIIJI-NSHDSACASA-N 1 0 235.352 2.399 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001474495787 987742128 /nfs/dbraw/zinc/74/21/28/987742128.db2.gz CAOCDACHFCKBLI-HZMBPMFUSA-N 1 0 230.311 2.170 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2CC(OC)C2)cc1 ZINC001474532094 987749040 /nfs/dbraw/zinc/74/90/40/987749040.db2.gz ITVOMIJEQOVTQN-UHFFFAOYSA-N 1 0 229.323 2.183 20 30 BEEDRO CC(C)SCC[NH2+]CC1(C#N)CCC1 ZINC001474585561 987771576 /nfs/dbraw/zinc/77/15/76/987771576.db2.gz WZZHPPVLEVDHRH-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1CC(OCC)C1 ZINC001117134516 987787052 /nfs/dbraw/zinc/78/70/52/987787052.db2.gz YLZOFCUGDMLDRM-UHFFFAOYSA-N 1 0 221.344 2.147 20 30 BEEDRO Cl/C=C\C[NH2+]CC#Cc1ccccc1 ZINC001474742091 987813073 /nfs/dbraw/zinc/81/30/73/987813073.db2.gz YTOYMKZVBZQMDU-UITAMQMPSA-N 1 0 205.688 2.380 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC([NH2+]C)C3)C[C@H](C1)C2 ZINC001246530328 987885723 /nfs/dbraw/zinc/88/57/23/987885723.db2.gz XDJSDPOSSHFQJX-ONXXMXGDSA-N 1 0 220.360 2.025 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc2cccnc2o1 ZINC001117744843 987887955 /nfs/dbraw/zinc/88/79/55/987887955.db2.gz YOYHZQDTUYUREX-NSHDSACASA-N 1 0 232.283 2.118 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC=C ZINC001479241392 987896726 /nfs/dbraw/zinc/89/67/26/987896726.db2.gz QFWHLCAAINCCSH-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001479393566 987898719 /nfs/dbraw/zinc/89/87/19/987898719.db2.gz KOLQMYINCLJHHW-JOCQHMNTSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C=C(C)C)[C@H]1C ZINC001479697388 987901639 /nfs/dbraw/zinc/90/16/39/987901639.db2.gz RIZGMAJHNHMSSB-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1C ZINC001479715176 987905909 /nfs/dbraw/zinc/90/59/09/987905909.db2.gz SMNPMMJYIBHJTL-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(CC)CC)[C@H]1C ZINC001479697739 987908512 /nfs/dbraw/zinc/90/85/12/987908512.db2.gz CPZLDQZKHXONHH-YPMHNXCESA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H](F)CC ZINC001479789113 987914867 /nfs/dbraw/zinc/91/48/67/987914867.db2.gz LCFYVCCZKDDPEN-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@](C)(F)CCCC ZINC001321558969 987942008 /nfs/dbraw/zinc/94/20/08/987942008.db2.gz AWDLENSXEVCBHQ-DGCLKSJQSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](CC)c1ccncc1 ZINC001117831324 987944901 /nfs/dbraw/zinc/94/49/01/987944901.db2.gz MTZLGGCPHQUYOY-CHWSQXEVSA-N 1 0 220.316 2.323 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC(C)C)C1 ZINC001480126520 987947103 /nfs/dbraw/zinc/94/71/03/987947103.db2.gz RTKRRRWKAXMZTM-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001480134166 987951556 /nfs/dbraw/zinc/95/15/56/987951556.db2.gz UICCUFUBEGIUKV-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C1(C)CCCCC1 ZINC001321640983 987958139 /nfs/dbraw/zinc/95/81/39/987958139.db2.gz LJZCSKRPYRXVHU-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001321652097 987961733 /nfs/dbraw/zinc/96/17/33/987961733.db2.gz ARRWABJALSPLIK-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@H](C)c1ccccc1 ZINC001480574650 988010980 /nfs/dbraw/zinc/01/09/80/988010980.db2.gz HFFHKTAGGBIOFJ-CHWSQXEVSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H]1CCN(C(C)=O)C1 ZINC001480626578 988016336 /nfs/dbraw/zinc/01/63/36/988016336.db2.gz UIGGLRPXSWQHLX-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)CCC)C1 ZINC001480689780 988017081 /nfs/dbraw/zinc/01/70/81/988017081.db2.gz SLXJUECEDUMDJO-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001480630832 988019768 /nfs/dbraw/zinc/01/97/68/988019768.db2.gz WCPYNCZDJBFEBE-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001480789128 988033355 /nfs/dbraw/zinc/03/33/55/988033355.db2.gz AMMXIZWRZUBGSA-JSGCOSHPSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C1CCC1 ZINC001321885585 988035158 /nfs/dbraw/zinc/03/51/58/988035158.db2.gz BDNWCQAQIZBCQM-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)CCNC(=O)c1ccc[nH]1 ZINC001480841506 988042997 /nfs/dbraw/zinc/04/29/97/988042997.db2.gz TZOSYQUDOZTHID-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)/C=C/C(C)(C)C ZINC001480851386 988052335 /nfs/dbraw/zinc/05/23/35/988052335.db2.gz VHFKQEQRXFJMRZ-CMDGGOBGSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH2+]CCCF ZINC001321946423 988053246 /nfs/dbraw/zinc/05/32/46/988053246.db2.gz IMABZKSAZSXOSE-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](CNC(C)=O)C1 ZINC001493167020 988063593 /nfs/dbraw/zinc/06/35/93/988063593.db2.gz COLDOWFVHUWHHJ-AWEZNQCLSA-N 1 0 240.391 2.415 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC1(C)C ZINC001493665168 988108696 /nfs/dbraw/zinc/10/86/96/988108696.db2.gz XMIDKAJJTFJAMZ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C1CCN(C(C)=O)CC1 ZINC001493814856 988112688 /nfs/dbraw/zinc/11/26/88/988112688.db2.gz IUXIEZJEXWEQGX-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001494285143 988128234 /nfs/dbraw/zinc/12/82/34/988128234.db2.gz VPUTYIZDNTVJGR-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001246583699 988129172 /nfs/dbraw/zinc/12/91/72/988129172.db2.gz RLCTUPDSFGFXJK-VHSXEESVSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CCCC[NH+]1CC(NC(=O)C[C@@H](C)CC)C1 ZINC001494376526 988136453 /nfs/dbraw/zinc/13/64/53/988136453.db2.gz ASYVZDZCMGDOTL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CC ZINC001322147167 988140521 /nfs/dbraw/zinc/14/05/21/988140521.db2.gz LWIJXZISUHMKBQ-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO N#Cc1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)cs1 ZINC001118238202 988141337 /nfs/dbraw/zinc/14/13/37/988141337.db2.gz ZFTUFZJYILCJJT-VIFPVBQESA-N 1 0 246.295 2.094 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[N@@H+](C)CC(C)C ZINC001322167557 988145826 /nfs/dbraw/zinc/14/58/26/988145826.db2.gz CNRVYFGETHHSQO-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)C1(C)CCC1 ZINC001322221707 988164026 /nfs/dbraw/zinc/16/40/26/988164026.db2.gz AMWZRLHUAPDQKQ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](C)CC)C1 ZINC001494823480 988190082 /nfs/dbraw/zinc/19/00/82/988190082.db2.gz WUNFHPQHWRVPJJ-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001118307348 988209612 /nfs/dbraw/zinc/20/96/12/988209612.db2.gz DBQLLOPLEMPVFB-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)C(C)(C)C ZINC001495098210 988214336 /nfs/dbraw/zinc/21/43/36/988214336.db2.gz YQVIEGYMBZXZKN-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CCC(=O)NC1(C[NH2+]CC)CCCC1 ZINC001495161449 988216636 /nfs/dbraw/zinc/21/66/36/988216636.db2.gz HBWJBDLCPZJLJB-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=C(C)C[NH2+]C[C@@](C)(NC(=O)CCC)C1CC1 ZINC001495213911 988217592 /nfs/dbraw/zinc/21/75/92/988217592.db2.gz HYPRJNMDCVRROO-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CC1(NC(=O)CC(C)C)CCCC1 ZINC001495125378 988218229 /nfs/dbraw/zinc/21/82/29/988218229.db2.gz UWSWWIMCMHLQPJ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)C1CCCC1 ZINC001322382750 988242656 /nfs/dbraw/zinc/24/26/56/988242656.db2.gz UDHACFYBKDFVBQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)/C(C)=C/CC ZINC001495630951 988242632 /nfs/dbraw/zinc/24/26/32/988242632.db2.gz VZZYBGKUAJNHLR-OXBCTQFSSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)[C@@](C)(C=C)CC ZINC001495733963 988249137 /nfs/dbraw/zinc/24/91/37/988249137.db2.gz KXESUUQPFOVJSX-JSGCOSHPSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)c1ccc(C)cc1 ZINC001495796076 988253779 /nfs/dbraw/zinc/25/37/79/988253779.db2.gz MHNGBJUZBCAHQK-CYBMUJFWSA-N 1 0 246.354 2.137 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)/C(C)=C\C ZINC001496687896 988322637 /nfs/dbraw/zinc/32/26/37/988322637.db2.gz WAGSQHXLROUEOV-QPEQYQDCSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001497140129 988357656 /nfs/dbraw/zinc/35/76/56/988357656.db2.gz DZBZZZCYPHIZAZ-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CCC1CCC1 ZINC001497163049 988362876 /nfs/dbraw/zinc/36/28/76/988362876.db2.gz FUUVSKUYQODROB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](F)C(C)C ZINC001497249678 988367540 /nfs/dbraw/zinc/36/75/40/988367540.db2.gz XWFBNIICZADJAV-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H](C)C(C)C ZINC001497275701 988367955 /nfs/dbraw/zinc/36/79/55/988367955.db2.gz JOGZBFZHUIHGMN-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)CCCC ZINC001497351912 988374154 /nfs/dbraw/zinc/37/41/54/988374154.db2.gz LGSDLBLKBOQORI-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)C1CCC1 ZINC001497512312 988386448 /nfs/dbraw/zinc/38/64/48/988386448.db2.gz SMZOEUMYIIDCSK-WAYWQWQTSA-N 1 0 236.359 2.015 20 30 BEEDRO C#CCOCC[NH+]1CCC(CCC)CC1 ZINC001118496545 988391586 /nfs/dbraw/zinc/39/15/86/988391586.db2.gz XXMVLGWLKXKQON-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)CCC1CCC1 ZINC001497554630 988395906 /nfs/dbraw/zinc/39/59/06/988395906.db2.gz GRVVJTQXRVPSNR-ARJAWSKDSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C/C(C)=C\CC(=O)NC/C=C/C[NH2+]CC(=C)C ZINC001497649364 988406817 /nfs/dbraw/zinc/40/68/17/988406817.db2.gz DOSRUDMQOGFBBO-ZUNXXLSSSA-N 1 0 248.370 2.347 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC001497784698 988416048 /nfs/dbraw/zinc/41/60/48/988416048.db2.gz IZCZKZBMNQGSDH-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)CC(C)(C)C ZINC001497788613 988416985 /nfs/dbraw/zinc/41/69/85/988416985.db2.gz AFCOFYVICGNBGR-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CCC ZINC001497902749 988430386 /nfs/dbraw/zinc/43/03/86/988430386.db2.gz RCHOYVRKMJMKCA-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cc(F)cc(F)c1 ZINC001118559114 988436246 /nfs/dbraw/zinc/43/62/46/988436246.db2.gz XBBWXMQHKYRUAA-UHFFFAOYSA-N 1 0 239.265 2.046 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)CCC ZINC001497951442 988436807 /nfs/dbraw/zinc/43/68/07/988436807.db2.gz YQBFXOYYQKJNOR-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)c1cccc(C)c1 ZINC001498009167 988441318 /nfs/dbraw/zinc/44/13/18/988441318.db2.gz OWNFKULNKHAREW-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C[C@@H](C)CCC ZINC001498021816 988443878 /nfs/dbraw/zinc/44/38/78/988443878.db2.gz RDOSICPMGMBBBL-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246769932 988447758 /nfs/dbraw/zinc/44/77/58/988447758.db2.gz LZMVUJZHDFXZRU-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246769933 988451229 /nfs/dbraw/zinc/45/12/29/988451229.db2.gz LZMVUJZHDFXZRU-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001323337971 988504464 /nfs/dbraw/zinc/50/44/64/988504464.db2.gz JSJORRDGGMKXPR-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)[C@@H](C)CCC)C1CC1 ZINC001498737997 988504948 /nfs/dbraw/zinc/50/49/48/988504948.db2.gz HBCAXOLNTLPOGF-AAEUAGOBSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@H](C)C[NH2+]CCNc1ncccc1C#N ZINC001323377626 988515718 /nfs/dbraw/zinc/51/57/18/988515718.db2.gz YKAMSGTXDYLENR-NSHDSACASA-N 1 0 232.331 2.001 20 30 BEEDRO CC(C)CC(CC(C)C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246832877 988528608 /nfs/dbraw/zinc/52/86/08/988528608.db2.gz CQTPPDGHLNZHOO-CYBMUJFWSA-N 1 0 237.391 2.245 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C(C)(C)C(C)C)CC1 ZINC001499236527 988541571 /nfs/dbraw/zinc/54/15/71/988541571.db2.gz FCWQBWMYWAVGNQ-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001499310082 988545556 /nfs/dbraw/zinc/54/55/56/988545556.db2.gz GJPKBHRRZUMIEH-UHFFFAOYSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](C)(CNC(C)=O)C1 ZINC001500469196 988580682 /nfs/dbraw/zinc/58/06/82/988580682.db2.gz NKDKUWZSHQMKRU-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001501554671 988609904 /nfs/dbraw/zinc/60/99/04/988609904.db2.gz FCNYWYTZLCLVKT-CYBMUJFWSA-N 1 0 248.370 2.111 20 30 BEEDRO CN(C[C@@H]1CCC[NH2+]1)C1CCC(C)(C#N)CC1 ZINC001246889332 988660551 /nfs/dbraw/zinc/66/05/51/988660551.db2.gz OCZAOMVNIQRGOW-HSBZDZAISA-N 1 0 235.375 2.143 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+](CC)CCN)C[C@H](C1)C2 ZINC001246889289 988660869 /nfs/dbraw/zinc/66/08/69/988660869.db2.gz FSADGDCBBNITJV-PBWFPOADSA-N 1 0 222.376 2.402 20 30 BEEDRO C=CCC[C@H](C)N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001246914556 988670249 /nfs/dbraw/zinc/67/02/49/988670249.db2.gz SMNSBIAEDMZNGQ-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC2CCC(O)CC2)C1 ZINC001118894025 988670759 /nfs/dbraw/zinc/67/07/59/988670759.db2.gz QADNKJCIPHCVSG-IYXRBSQSSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](C)N(C)[C@]1(C)CCC[NH2+]C1 ZINC001246914555 988671570 /nfs/dbraw/zinc/67/15/70/988671570.db2.gz SMNSBIAEDMZNGQ-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]C(C)C)C[C@@H]1C ZINC001324053262 988679525 /nfs/dbraw/zinc/67/95/25/988679525.db2.gz VBOGVWBBTZPVGJ-QWHCGFSZSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(CC)CC ZINC001505561768 988694608 /nfs/dbraw/zinc/69/46/08/988694608.db2.gz MSRNNXUQWDTPDV-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(CC)CC ZINC001505561771 988695101 /nfs/dbraw/zinc/69/51/01/988695101.db2.gz MSRNNXUQWDTPDV-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC1CCC1 ZINC001505582337 988701250 /nfs/dbraw/zinc/70/12/50/988701250.db2.gz QBMCSEXRXDNHSP-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(F)F ZINC001505685236 988703000 /nfs/dbraw/zinc/70/30/00/988703000.db2.gz FHSUKTIBGGVENR-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)(F)F ZINC001505685235 988704557 /nfs/dbraw/zinc/70/45/57/988704557.db2.gz FHSUKTIBGGVENR-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)CCC ZINC001505680902 988707295 /nfs/dbraw/zinc/70/72/95/988707295.db2.gz GTBNYXOTWUETNH-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCC(C)C ZINC001324114851 988709152 /nfs/dbraw/zinc/70/91/52/988709152.db2.gz PNXTVAHRRABUFA-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@H+](C)CC1CCC1 ZINC001505884908 988737593 /nfs/dbraw/zinc/73/75/93/988737593.db2.gz QBVMAZDOUBFXPA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)C=C1CCC1 ZINC001505897451 988745166 /nfs/dbraw/zinc/74/51/66/988745166.db2.gz XBWRFVKTXZFIOI-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)C(F)F ZINC001506531930 988785604 /nfs/dbraw/zinc/78/56/04/988785604.db2.gz QWIWKJREJRGDAR-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)CC ZINC001506935714 988799821 /nfs/dbraw/zinc/79/98/21/988799821.db2.gz CTDJJPJQBVCFSY-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)CCC[NH2+]CC ZINC001506943205 988800193 /nfs/dbraw/zinc/80/01/93/988800193.db2.gz NEMDSXUMCUVEEY-OCCSQVGLSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(F)F ZINC001507038914 988805851 /nfs/dbraw/zinc/80/58/51/988805851.db2.gz NDXMOWFEJODHGG-NXEZZACHSA-N 1 0 248.317 2.043 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]CC1CCC1 ZINC001507056087 988811949 /nfs/dbraw/zinc/81/19/49/988811949.db2.gz KHFWTLNZOHIAFI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C1CC1 ZINC001507059248 988812782 /nfs/dbraw/zinc/81/27/82/988812782.db2.gz DHNDWRQISLLENN-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001507112476 988815221 /nfs/dbraw/zinc/81/52/21/988815221.db2.gz UFRSDJSIWCVCNP-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001507112920 988817447 /nfs/dbraw/zinc/81/74/47/988817447.db2.gz LIARFYAGWFMDJK-QWHCGFSZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001507119028 988819842 /nfs/dbraw/zinc/81/98/42/988819842.db2.gz RBPLJKNJHSBFJL-JSGCOSHPSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[C@H](C)N1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246995267 988828711 /nfs/dbraw/zinc/82/87/11/988828711.db2.gz YORMZDFWPYPFLQ-UWVGGRQHSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246995249 988829217 /nfs/dbraw/zinc/82/92/17/988829217.db2.gz YNHUCZNHDPUNEI-ZJUUUORDSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)[C@@H]1C ZINC001507275359 988831710 /nfs/dbraw/zinc/83/17/10/988831710.db2.gz TZRYLLXLRBBANI-RLLAQXBXSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001324448284 988843967 /nfs/dbraw/zinc/84/39/67/988843967.db2.gz ZJQXVSDCEKKHNZ-NSHDSACASA-N 1 0 238.356 2.228 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C(C)=O)C(C)C ZINC001507738369 988844615 /nfs/dbraw/zinc/84/46/15/988844615.db2.gz UFADBBNDMNLMQD-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)C[NH+]1CCC([C@@H](C)NC(=O)CC)CC1 ZINC001508055303 988847505 /nfs/dbraw/zinc/84/75/05/988847505.db2.gz QRAZKMJWFQYJDO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@H](C[NH2+]CC=C)C(C)(C)C ZINC001507901830 988847832 /nfs/dbraw/zinc/84/78/32/988847832.db2.gz MBVQZXMVYGANJL-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CC[N@@H+](C[C@@H](CC(C)C)OC)CC1CC1 ZINC001119234368 988852094 /nfs/dbraw/zinc/85/20/94/988852094.db2.gz AVJJFKAVPOYKAK-CQSZACIVSA-N 1 0 223.360 2.393 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC001119237462 988853681 /nfs/dbraw/zinc/85/36/81/988853681.db2.gz HDCPREUGQKSDDY-CHWSQXEVSA-N 1 0 239.359 2.269 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@](O)(C2CC2)C1 ZINC001119246263 988861293 /nfs/dbraw/zinc/86/12/93/988861293.db2.gz 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C=CCn1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cn1 ZINC001139772398 991365467 /nfs/dbraw/zinc/36/54/67/991365467.db2.gz IBWWHESACWHQIB-WCQYABFASA-N 1 0 217.316 2.053 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@H]2CC)cn1 ZINC001139770320 991365822 /nfs/dbraw/zinc/36/58/22/991365822.db2.gz MEILLJIPICBGIW-CYBMUJFWSA-N 1 0 219.332 2.444 20 30 BEEDRO C=CCn1cc(C[N@H+]2CC[C@H](OCCC)C2)cn1 ZINC001139770635 991366841 /nfs/dbraw/zinc/36/68/41/991366841.db2.gz UVDXAOIMDIVQQD-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)C)[C@H]1C ZINC001316775961 991420073 /nfs/dbraw/zinc/42/00/73/991420073.db2.gz MZFNLLLWRXCOOP-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO CC#CCN1C[C@@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001560216753 991423243 /nfs/dbraw/zinc/42/32/43/991423243.db2.gz BZQMOWZQTZYMBM-GJZGRUSLSA-N 1 0 234.387 2.204 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001316973714 991430287 /nfs/dbraw/zinc/43/02/87/991430287.db2.gz HUXDVNMDFSJTTH-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(cnn2C)c1 ZINC001139951253 991431689 /nfs/dbraw/zinc/43/16/89/991431689.db2.gz SMULHVSDAPBTDK-UHFFFAOYSA-N 1 0 215.300 2.191 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001316973611 991433606 /nfs/dbraw/zinc/43/36/06/991433606.db2.gz HUXDVNMDFSJTTH-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC=CC12CCCCC2 ZINC001560236094 991437231 /nfs/dbraw/zinc/43/72/31/991437231.db2.gz DTQOASTZRDOOLM-ZDUSSCGKSA-N 1 0 234.343 2.490 20 30 BEEDRO C=CC[N@@H+]1CC[C@@]2(NC(=O)CCC)CCC[C@H]12 ZINC001332063358 991451477 /nfs/dbraw/zinc/45/14/77/991451477.db2.gz GXKOLWKPTQWZTQ-JSGCOSHPSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001317088166 991452017 /nfs/dbraw/zinc/45/20/17/991452017.db2.gz OSOYPIQOOARSMK-YRGRVCCFSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001317107396 991453778 /nfs/dbraw/zinc/45/37/78/991453778.db2.gz JRZHCCDSXDWJJG-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H](C)[NH2+]CCCF ZINC001317243325 991459448 /nfs/dbraw/zinc/45/94/48/991459448.db2.gz YBGDFZXWASHUPJ-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)c1ccccc1C ZINC001317222843 991460868 /nfs/dbraw/zinc/46/08/68/991460868.db2.gz DYKNSPFLODAEHM-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCCC ZINC001317228666 991467711 /nfs/dbraw/zinc/46/77/11/991467711.db2.gz DKVRKXVYQZEMGT-SNVBAGLBSA-N 1 0 232.755 2.023 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C1CC1 ZINC001317236417 991472977 /nfs/dbraw/zinc/47/29/77/991472977.db2.gz YFAPEEOWIKVBQY-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C1=CCCC1 ZINC001317238392 991475571 /nfs/dbraw/zinc/47/55/71/991475571.db2.gz KYYAJKRKFOONCS-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C1(C)CC1 ZINC001317241420 991475960 /nfs/dbraw/zinc/47/59/60/991475960.db2.gz LDGMPEXLYZVKBS-RYUDHWBXSA-N 1 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246.354 2.233 20 30 BEEDRO C[NH+]1CCC(C#N)(N[C@H]2CCC(C)(C)C2)CC1 ZINC001258600266 991504755 /nfs/dbraw/zinc/50/47/55/991504755.db2.gz PDOQKURIFACKFR-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO Oc1ccc(F)cc1C[NH+]1CCC(S)CC1 ZINC001140055419 991507899 /nfs/dbraw/zinc/50/78/99/991507899.db2.gz XJTGCPHOCANHQH-UHFFFAOYSA-N 1 0 241.331 2.426 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]1CC ZINC001317625511 991567190 /nfs/dbraw/zinc/56/71/90/991567190.db2.gz DCUFOBDCTVPYJF-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@]1(C)CCCCO1 ZINC001560732353 991580067 /nfs/dbraw/zinc/58/00/67/991580067.db2.gz JRVNGBZZALVNOI-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CCCC[NH+]1CC(CNC(=O)[C@@H](C)CC)C1 ZINC001318101114 991623149 /nfs/dbraw/zinc/62/31/49/991623149.db2.gz HNLRBNBRWLGWGY-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CC1CC[NH+](Cc2ccc3n[nH]cc3c2)CC1 ZINC001140381817 991627756 /nfs/dbraw/zinc/62/77/56/991627756.db2.gz BTLWFQGFLDRSHZ-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC001258717019 991641322 /nfs/dbraw/zinc/64/13/22/991641322.db2.gz GUTLXJIHHCVDDM-KBPBESRZSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(C(=O)OC)CCC1 ZINC001258717859 991644850 /nfs/dbraw/zinc/64/48/50/991644850.db2.gz WQELZVWUIYWKSO-NSHDSACASA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccccc1C(N)=O ZINC001258717076 991644868 /nfs/dbraw/zinc/64/48/68/991644868.db2.gz HTWIKQJAVXWRCK-NSHDSACASA-N 1 0 232.327 2.230 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)n(C)n1 ZINC001258717992 991645069 /nfs/dbraw/zinc/64/50/69/991645069.db2.gz BRNPEPLNDRXQMH-JTQLQIEISA-N 1 0 207.321 2.173 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001258718984 991648722 /nfs/dbraw/zinc/64/87/22/991648722.db2.gz ZJPOMMZMMJPKEC-TZMCWYRMSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001318377062 991655313 /nfs/dbraw/zinc/65/53/13/991655313.db2.gz ZVMGJUOKOLIFBU-QWHCGFSZSA-N 1 0 238.375 2.284 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C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)C ZINC001568257437 992153993 /nfs/dbraw/zinc/15/39/93/992153993.db2.gz IZRFYIBRZQAIAW-CHWSQXEVSA-N 1 0 240.391 2.434 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(=C)C ZINC001568276864 992156733 /nfs/dbraw/zinc/15/67/33/992156733.db2.gz MDRQQHOCXZCLNQ-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCCC(C)C ZINC001568301822 992160800 /nfs/dbraw/zinc/16/08/00/992160800.db2.gz VXXXWDAQVLFESQ-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CCCC(C)C ZINC001568301823 992161530 /nfs/dbraw/zinc/16/15/30/992161530.db2.gz VXXXWDAQVLFESQ-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)/C(C)=C/CC)C(C)C ZINC001568443495 992166371 /nfs/dbraw/zinc/16/63/71/992166371.db2.gz CSTGAEFSBPETRD-RPHSKFLZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(C)=O ZINC001568417345 992167604 /nfs/dbraw/zinc/16/76/04/992167604.db2.gz WFMYQLMQWPPGOL-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)CN(C)CCN(C)C(=O)[C@@H](C)CC ZINC001568474321 992175080 /nfs/dbraw/zinc/17/50/80/992175080.db2.gz CYVOFURZCLEEGX-JTQLQIEISA-N 1 0 246.782 2.175 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C=C(C)C ZINC001320334804 992176537 /nfs/dbraw/zinc/17/65/37/992176537.db2.gz LKCCSQFHFKUGAM-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)CC ZINC001320346890 992178995 /nfs/dbraw/zinc/17/89/95/992178995.db2.gz HUBSMPRSNVJSTI-KOLCDFICSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)/C(C)=C/C ZINC001568522981 992182014 /nfs/dbraw/zinc/18/20/14/992182014.db2.gz BODFNHOHAPSFJE-BYDLAGSTSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)F ZINC001568598207 992195212 /nfs/dbraw/zinc/19/52/12/992195212.db2.gz JSWRZAVZFVSSPC-LLVKDONJSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCC(=O)N[C@H](C)CC[NH2+]CC(=C)C ZINC001568613351 992196818 /nfs/dbraw/zinc/19/68/18/992196818.db2.gz YMWCSMROURZARH-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCC(=O)N[C@H](C)CC[NH2+]CC(=C)Cl ZINC001568611433 992196874 /nfs/dbraw/zinc/19/68/74/992196874.db2.gz HDHFTMSVWPGESZ-LLVKDONJSA-N 1 0 244.766 2.190 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H](F)CC ZINC001568665524 992206475 /nfs/dbraw/zinc/20/64/75/992206475.db2.gz DVWGPFOOLTWXRH-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)C=C1CCCCC1 ZINC001568823996 992226084 /nfs/dbraw/zinc/22/60/84/992226084.db2.gz UXSLGUCYRFDCEF-SREVYHEPSA-N 1 0 248.370 2.325 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)C1=CCCCCC1 ZINC001568841151 992229327 /nfs/dbraw/zinc/22/93/27/992229327.db2.gz AWFXCAZRDJVJMN-FPLPWBNLSA-N 1 0 248.370 2.325 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)C1(C)CC1 ZINC001568853933 992230679 /nfs/dbraw/zinc/23/06/79/992230679.db2.gz OGOVNOFCDHRMDQ-SNAWJCMRSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)CC[NH2+]CC ZINC001320542232 992238009 /nfs/dbraw/zinc/23/80/09/992238009.db2.gz DTRMVKYNJPYVMY-DGCLKSJQSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CCC(C)C ZINC001568979451 992253906 /nfs/dbraw/zinc/25/39/06/992253906.db2.gz ASWVAGXDJMLIDV-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC001320584998 992257597 /nfs/dbraw/zinc/25/75/97/992257597.db2.gz YSLMWMWZCKJTSC-LLVKDONJSA-N 1 0 239.290 2.125 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001568988709 992258700 /nfs/dbraw/zinc/25/87/00/992258700.db2.gz XVJRGOHRGXQLOH-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C1CCC(C(=O)N[C@@H](C)C[NH2+]CCC)CC1 ZINC001569079184 992292610 /nfs/dbraw/zinc/29/26/10/992292610.db2.gz SCHRCNDZNRQSJS-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)/C(C)=C/CC ZINC001569107241 992311994 /nfs/dbraw/zinc/31/19/94/992311994.db2.gz ODEHCDCBBCWKDA-RPHSKFLZSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC[NH2+]CCCN(C)C(=O)C(C)(C)C ZINC001569259278 992348881 /nfs/dbraw/zinc/34/88/81/992348881.db2.gz BLRSIXJJURNVAU-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC(=O)N[C@H](C[NH2+]CC(C)C)C1CC1 ZINC001569296334 992354475 /nfs/dbraw/zinc/35/44/75/992354475.db2.gz PVRBZOVUAIGZFV-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C1(C)CC=CC1)C1CC1 ZINC001569318060 992360292 /nfs/dbraw/zinc/36/02/92/992360292.db2.gz KCFDCHYAWVVPPR-CYBMUJFWSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC001320898929 992396144 /nfs/dbraw/zinc/39/61/44/992396144.db2.gz OLBJVAMBCNNJKM-ZDUSSCGKSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)CC1CCCC1 ZINC001320955032 992414833 /nfs/dbraw/zinc/41/48/33/992414833.db2.gz YIGRAAWVMMSVMU-AATRIKPKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccoc2)C1 ZINC001320967741 992419704 /nfs/dbraw/zinc/41/97/04/992419704.db2.gz PIIOKSMWRMXUSI-GFCCVEGCSA-N 1 0 207.273 2.057 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CC[C@H](NC(C)=O)CC1 ZINC001570033441 992436394 /nfs/dbraw/zinc/43/63/94/992436394.db2.gz UCSHGJCBJIZXCD-HDJSIYSDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CCC[N@@H+](C)C(C)C ZINC001570206261 992449051 /nfs/dbraw/zinc/44/90/51/992449051.db2.gz MZUQFCYVWUHUKX-UHFFFAOYSA-N 1 0 240.391 2.387 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001570440029 992468295 /nfs/dbraw/zinc/46/82/95/992468295.db2.gz HMQKQIGJERMXNW-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1ccc[nH]1 ZINC001570453142 992470229 /nfs/dbraw/zinc/47/02/29/992470229.db2.gz ZPBZAJWTTNJRLT-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC001321169720 992474808 /nfs/dbraw/zinc/47/48/08/992474808.db2.gz CQYQOYIFINQUJO-HNNXBMFYSA-N 1 0 246.354 2.291 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001570640789 992491557 /nfs/dbraw/zinc/49/15/57/992491557.db2.gz GESNMWGZWIOPRQ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC001321240045 992498927 /nfs/dbraw/zinc/49/89/27/992498927.db2.gz ACLFYRGIAMRMMY-AGIUHOORSA-N 1 0 241.375 2.371 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(CO)c1 ZINC001321241826 992500233 /nfs/dbraw/zinc/50/02/33/992500233.db2.gz SGBJEMOMNXOCAF-RISCZKNCSA-N 1 0 235.327 2.031 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ncccc1C ZINC001321300273 992511284 /nfs/dbraw/zinc/51/12/84/992511284.db2.gz RWVZSSJQZUHGQD-DZGCQCFKSA-N 1 0 246.354 2.461 20 30 BEEDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001321355333 992523432 /nfs/dbraw/zinc/52/34/32/992523432.db2.gz OMLMGVVZLHRLKW-MCIONIFRSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)C=C2CCC2)C1 ZINC001570836639 992523610 /nfs/dbraw/zinc/52/36/10/992523610.db2.gz CTRIKJUFRLRPNE-GFCCVEGCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)C)C1 ZINC001570860171 992526686 /nfs/dbraw/zinc/52/66/86/992526686.db2.gz NUZQRGGSVVRBJG-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H](CCNC(=O)/C(C)=C\C)C(C)C ZINC001571348623 992540201 /nfs/dbraw/zinc/54/02/01/992540201.db2.gz KFQVYECUTQCWNI-FFXRNRBCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)/C(C)=C\CC ZINC001571379548 992546657 /nfs/dbraw/zinc/54/66/57/992546657.db2.gz ZAHNTIANJYCVFO-SUIFULHWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C)CC ZINC001571383717 992548328 /nfs/dbraw/zinc/54/83/28/992548328.db2.gz ABYPOVRUGREUKR-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001571403136 992549449 /nfs/dbraw/zinc/54/94/49/992549449.db2.gz KXJBTHHLGGGSMQ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)CC(C)C)C1 ZINC001571653211 992579247 /nfs/dbraw/zinc/57/92/47/992579247.db2.gz JGPVQYVGYGNMES-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC3CCC2CC3)CCC1 ZINC001262076957 992654105 /nfs/dbraw/zinc/65/41/05/992654105.db2.gz MYASCMKGXSFSKQ-JXQTWKCFSA-N 1 0 248.370 2.306 20 30 BEEDRO N#CC1(CCCC[NH2+][C@@H](CO)C2CC2)CCC1 ZINC001262258269 992820471 /nfs/dbraw/zinc/82/04/71/992820471.db2.gz GIIMVZLOGPAOEC-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO N#Cc1c(F)cccc1N1CCC12CC[NH2+]CC2 ZINC001574241492 992825052 /nfs/dbraw/zinc/82/50/52/992825052.db2.gz MYTOIDTYMRQQCN-UHFFFAOYSA-N 1 0 245.301 2.030 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](COC)C(C)C ZINC001262274222 992831030 /nfs/dbraw/zinc/83/10/30/992831030.db2.gz SDFVXKFUYBLSSO-CYBMUJFWSA-N 1 0 229.364 2.039 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1cc(OC)ccn1 ZINC001262336161 992842649 /nfs/dbraw/zinc/84/26/49/992842649.db2.gz YKQUVKGIQQJVMC-GFCCVEGCSA-N 1 0 218.300 2.241 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(N)cc1)C(C)(C)C ZINC001574505003 992872115 /nfs/dbraw/zinc/87/21/15/992872115.db2.gz OAOIUYLYGCPNPP-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO C#CCN(C)C(=O)[C@H]([NH3+])CCCCCCCC ZINC001574604345 992881274 /nfs/dbraw/zinc/88/12/74/992881274.db2.gz MWVLGUZAMMPBJW-CYBMUJFWSA-N 1 0 238.375 2.156 20 30 BEEDRO C#Cc1cccc(CN[C@H]2CC[NH2+]C23CCC3)c1 ZINC001574766038 992898533 /nfs/dbraw/zinc/89/85/33/992898533.db2.gz LZKCSJKSOUQHQN-HNNXBMFYSA-N 1 0 240.350 2.042 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001574848604 992924988 /nfs/dbraw/zinc/92/49/88/992924988.db2.gz BHXIUFNVEPPFFO-ZDUSSCGKSA-N 1 0 238.375 2.095 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001262575341 992930626 /nfs/dbraw/zinc/93/06/26/992930626.db2.gz OFYATYIYPSPCNF-UTUOFQBUSA-N 1 0 223.295 2.300 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1([NH3+])CCCCC1 ZINC001574872255 992933702 /nfs/dbraw/zinc/93/37/02/992933702.db2.gz JONWCQJKGANVGA-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C=C ZINC001574903833 992943671 /nfs/dbraw/zinc/94/36/71/992943671.db2.gz XFIAAGCWTAQOSF-CHWSQXEVSA-N 1 0 236.359 2.237 20 30 BEEDRO CC#CC[C@@H]([NH3+])C(=O)N[C@H](C)CCCC(C)C ZINC001574963443 992954444 /nfs/dbraw/zinc/95/44/44/992954444.db2.gz UQLSTYMMFWOCLY-CHWSQXEVSA-N 1 0 238.375 2.058 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@](C)(CC)C1CC1 ZINC001263171302 993147647 /nfs/dbraw/zinc/14/76/47/993147647.db2.gz NCWJWHHJMYJBQQ-OCCSQVGLSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@](C)(CC)C1CC1 ZINC001263171303 993148214 /nfs/dbraw/zinc/14/82/14/993148214.db2.gz NCWJWHHJMYJBQQ-TZMCWYRMSA-N 1 0 238.375 2.365 20 30 BEEDRO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001263197765 993162516 /nfs/dbraw/zinc/16/25/16/993162516.db2.gz FXRBSXHNOIJTMC-CYBMUJFWSA-N 1 0 245.326 2.079 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001263323168 993231285 /nfs/dbraw/zinc/23/12/85/993231285.db2.gz IIMQCXXIEOIDMZ-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1ccc(C[C@H](C)[NH2+]CCC#N)cc1 ZINC000380115567 993314636 /nfs/dbraw/zinc/31/46/36/993314636.db2.gz PINXMEKQLWRAID-LBPRGKRZSA-N 1 0 202.301 2.429 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccncc1 ZINC000381297402 993384269 /nfs/dbraw/zinc/38/42/69/993384269.db2.gz GZFKATXWCRPAOG-LOWVWBTDSA-N 1 0 215.300 2.424 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000381297400 993386678 /nfs/dbraw/zinc/38/66/78/993386678.db2.gz GZFKATXWCRPAOG-GVXVVHGQSA-N 1 0 215.300 2.424 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC001263730526 993483097 /nfs/dbraw/zinc/48/30/97/993483097.db2.gz BJFNYOGMEHLKDN-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO CCC(CC)(C[NH3+])CN(C)CC(C)(C)C#N ZINC001577051259 993490062 /nfs/dbraw/zinc/49/00/62/993490062.db2.gz PDDJGIDUXOAWCO-UHFFFAOYSA-N 1 0 225.380 2.233 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(C)=O)C1 ZINC001263887016 993578817 /nfs/dbraw/zinc/57/88/17/993578817.db2.gz GIHOOEPVIYEUAK-FPMFFAJLSA-N 1 0 238.375 2.236 20 30 BEEDRO CCCCCCCCNC(=O)[C@@H]1CC12C[NH2+]C2 ZINC001577430104 993664061 /nfs/dbraw/zinc/66/40/61/993664061.db2.gz OABOKEIZFYFCMP-LBPRGKRZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC12CCOCC2 ZINC000387282375 993705766 /nfs/dbraw/zinc/70/57/66/993705766.db2.gz NETBFNBUHDBSPT-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC)C1 ZINC001264455029 993728273 /nfs/dbraw/zinc/72/82/73/993728273.db2.gz UQNAKAIVVSEFOU-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC)[C@H]1C ZINC001264688456 993738064 /nfs/dbraw/zinc/73/80/64/993738064.db2.gz LSFZQEMURPPKMA-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[N@@H+](C)CC ZINC001265019962 993810086 /nfs/dbraw/zinc/81/00/86/993810086.db2.gz RSKVPVFUQHSCGE-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001265451163 993859167 /nfs/dbraw/zinc/85/91/67/993859167.db2.gz FISMPCAYNLGLKR-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2=CCCC2)C1 ZINC001265474081 993864079 /nfs/dbraw/zinc/86/40/79/993864079.db2.gz KGWDWLMIBFFYCK-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H](C)C1CC1 ZINC001265762921 993932223 /nfs/dbraw/zinc/93/22/23/993932223.db2.gz DTHHQGSDYBYZJP-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CCC1CCC1 ZINC001265763762 993932985 /nfs/dbraw/zinc/93/29/85/993932985.db2.gz SPLCTEPWJYKDJI-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)CC(CC)CC ZINC001265843454 993955537 /nfs/dbraw/zinc/95/55/37/993955537.db2.gz GWNARAZONRZMAH-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C1CCCC1 ZINC001265847859 993959560 /nfs/dbraw/zinc/95/95/60/993959560.db2.gz CVLYZQUTTVONBJ-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)[C@H](C)C1CCC1 ZINC001265871999 993967310 /nfs/dbraw/zinc/96/73/10/993967310.db2.gz LDJDEPPCNUMLPM-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000393621394 993973584 /nfs/dbraw/zinc/97/35/84/993973584.db2.gz TUIWJLTWFCVRON-WPRPVWTQSA-N 1 0 226.345 2.303 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccccc1)C(C)(C)C ZINC000702284144 993976970 /nfs/dbraw/zinc/97/69/70/993976970.db2.gz DMFJYYRBJUXECS-KBPBESRZSA-N 1 0 231.339 2.358 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000702311188 993987785 /nfs/dbraw/zinc/98/77/85/993987785.db2.gz NXESNKICEFSVSI-ZIAGYGMSSA-N 1 0 249.329 2.497 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC ZINC001265992469 994010569 /nfs/dbraw/zinc/01/05/69/994010569.db2.gz LUOBEKYYFPFQCN-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000393941702 994024784 /nfs/dbraw/zinc/02/47/84/994024784.db2.gz JNKXYDACPDYGBR-IJLUTSLNSA-N 1 0 215.300 2.424 20 30 BEEDRO C=CCCC(=O)NCC[C@@H](C)[NH2+]CC(C)C ZINC001266131064 994041771 /nfs/dbraw/zinc/04/17/71/994041771.db2.gz TYFXPZZGNRWTII-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C1=CCCC1 ZINC001266137567 994046408 /nfs/dbraw/zinc/04/64/08/994046408.db2.gz OLBWEAULCSRLSM-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001266175457 994054261 /nfs/dbraw/zinc/05/42/61/994054261.db2.gz LZUWHCZRGAKGRS-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001266200290 994058767 /nfs/dbraw/zinc/05/87/67/994058767.db2.gz IYIXEAIFKNHNHI-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(CNC(C)=O)cc1 ZINC001280339923 994110819 /nfs/dbraw/zinc/11/08/19/994110819.db2.gz CBFVTYIMPWPNAO-NSHDSACASA-N 1 0 232.327 2.159 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CNC(=O)CCC)CCC1 ZINC001280464850 994114879 /nfs/dbraw/zinc/11/48/79/994114879.db2.gz YGZVCFWDZSOQQT-UHFFFAOYSA-N 1 0 244.766 2.168 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001281457509 994159977 /nfs/dbraw/zinc/15/99/77/994159977.db2.gz IYPNCYUXQZQISI-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)CCC1CCC1 ZINC001281703367 994174565 /nfs/dbraw/zinc/17/45/65/994174565.db2.gz OSKLZLLNWNDCLH-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CCC1 ZINC001282084761 994199722 /nfs/dbraw/zinc/19/97/22/994199722.db2.gz SHLMEILWZWBVKJ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C)C1 ZINC001282182615 994208391 /nfs/dbraw/zinc/20/83/91/994208391.db2.gz DOXZCGXRMHGAPF-RYUDHWBXSA-N 1 0 238.375 2.234 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCCF ZINC001282133176 994208442 /nfs/dbraw/zinc/20/84/42/994208442.db2.gz KVKACOXWXHSXCY-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCF ZINC001282194572 994208197 /nfs/dbraw/zinc/20/81/97/994208197.db2.gz WJMRHKFLBZZYDN-GHMZBOCLSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC1CC1 ZINC001282166904 994209404 /nfs/dbraw/zinc/20/94/04/994209404.db2.gz IMLJHLPSFJMIKS-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CCF ZINC001282194574 994210300 /nfs/dbraw/zinc/21/03/00/994210300.db2.gz WJMRHKFLBZZYDN-QWRGUYRKSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)CC1CC1 ZINC001282346557 994219285 /nfs/dbraw/zinc/21/92/85/994219285.db2.gz PPEWJDDBATYWEA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)CCC[NH2+]CC)C1 ZINC001283231443 994268086 /nfs/dbraw/zinc/26/80/86/994268086.db2.gz GQNFVFWORYXINQ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)CC ZINC001283570372 994282276 /nfs/dbraw/zinc/28/22/76/994282276.db2.gz DJDQXBUPQVGOQP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CC ZINC001283570375 994282352 /nfs/dbraw/zinc/28/23/52/994282352.db2.gz DJDQXBUPQVGOQP-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C=C)CC ZINC001283666068 994287838 /nfs/dbraw/zinc/28/78/38/994287838.db2.gz OKDRTVLLISFWLK-STQMWFEESA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CC(C)=C(C)C ZINC001283654366 994290429 /nfs/dbraw/zinc/29/04/29/994290429.db2.gz UVECGIRGEOXBLR-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2=CCCC2)C1 ZINC001283969084 994316712 /nfs/dbraw/zinc/31/67/12/994316712.db2.gz NDWAQROJXRXFGW-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2=CCCC2)C1 ZINC001283969086 994317418 /nfs/dbraw/zinc/31/74/18/994317418.db2.gz NDWAQROJXRXFGW-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2=CCCC2)C1 ZINC001283969081 994317741 /nfs/dbraw/zinc/31/77/41/994317741.db2.gz NDWAQROJXRXFGW-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](CCC)Cc1ccccc1 ZINC001334386338 994589487 /nfs/dbraw/zinc/58/94/87/994589487.db2.gz ZBOJCHNTTLEANM-HZPDHXFCSA-N 1 0 245.366 2.372 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCCC(C)(C)C ZINC001293774616 994666632 /nfs/dbraw/zinc/66/66/32/994666632.db2.gz CEBOJMFWOWCNHM-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC=C)C1 ZINC001491867217 995010807 /nfs/dbraw/zinc/01/08/07/995010807.db2.gz ARDCIOHQMZNPLX-CHWSQXEVSA-N 1 0 236.359 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)/C(C)=C/C ZINC001492004925 995016734 /nfs/dbraw/zinc/01/67/34/995016734.db2.gz IIAAURQSLJDERE-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C[C@@H](C)C1CC1 ZINC001492133990 995025693 /nfs/dbraw/zinc/02/56/93/995025693.db2.gz YCEDZHSPKDCUFC-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)CC ZINC001492194089 995035003 /nfs/dbraw/zinc/03/50/03/995035003.db2.gz FXZYGQNUMLEWJC-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001492476222 995050825 /nfs/dbraw/zinc/05/08/25/995050825.db2.gz QSFMZOKWTLZJAI-STQMWFEESA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001336721533 995085961 /nfs/dbraw/zinc/08/59/61/995085961.db2.gz IXTSSOUHCMBLTI-SRVKXCTJSA-N 1 0 243.322 2.174 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]C[C@H](C#N)CCC#N ZINC001336785322 995104851 /nfs/dbraw/zinc/10/48/51/995104851.db2.gz YHAZCURCEQVAEL-IUCAKERBSA-N 1 0 233.237 2.360 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001317256999 995110670 /nfs/dbraw/zinc/11/06/70/995110670.db2.gz OLAUIVGMNIJTHZ-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001317256998 995112295 /nfs/dbraw/zinc/11/22/95/995112295.db2.gz OLAUIVGMNIJTHZ-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1CCN1CC ZINC001303334231 995150830 /nfs/dbraw/zinc/15/08/30/995150830.db2.gz BHKJTBLQWZUVJJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C(C)(C)CCC ZINC001317460005 995254083 /nfs/dbraw/zinc/25/40/83/995254083.db2.gz SHXWUIXCNOKWTE-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC001307422316 995350679 /nfs/dbraw/zinc/35/06/79/995350679.db2.gz KETIURKJYAHPRU-ZIAGYGMSSA-N 1 0 245.370 2.401 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC001307518154 995393207 /nfs/dbraw/zinc/39/32/07/995393207.db2.gz NYRCZTGUDUQYCI-HOCLYGCPSA-N 1 0 248.414 2.452 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)Cc1cccs1 ZINC001307519753 995395230 /nfs/dbraw/zinc/39/52/30/995395230.db2.gz BJXKXYHDZIAMCD-LBPRGKRZSA-N 1 0 237.368 2.261 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cc(C#N)ccn1 ZINC001307569806 995404959 /nfs/dbraw/zinc/40/49/59/995404959.db2.gz AILQWEZPXLTVCV-GHMZBOCLSA-N 1 0 215.300 2.326 20 30 BEEDRO C[C@H]1C[N@@H+](Cc2cc(C#N)ccn2)CC[C@@H]1C ZINC001307589079 995408552 /nfs/dbraw/zinc/40/85/52/995408552.db2.gz JYROVHVOYOKYSO-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[N@H+](CCSC)Cc1cc(C#N)ccn1 ZINC001307900614 995493971 /nfs/dbraw/zinc/49/39/71/995493971.db2.gz JWBLMBWDRJNJGU-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO C[C@H](CCC#N)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001308077075 995544191 /nfs/dbraw/zinc/54/41/91/995544191.db2.gz HUHFPPVJADUMEF-WDEREUQCSA-N 1 0 232.331 2.096 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C1(C)CC1 ZINC001308134527 995562475 /nfs/dbraw/zinc/56/24/75/995562475.db2.gz BWYUWZAUSBOQDW-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1C[C@H](O)CSC ZINC001308135814 995565930 /nfs/dbraw/zinc/56/59/30/995565930.db2.gz JPWSYTWWUNKKDS-RYUDHWBXSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1nc(C)cc(=O)[nH]1 ZINC001308136331 995567600 /nfs/dbraw/zinc/56/76/00/995567600.db2.gz LMSYUVFGFYQGQW-GFCCVEGCSA-N 1 0 247.342 2.421 20 30 BEEDRO CC#CC[NH2+][C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001308159149 995578667 /nfs/dbraw/zinc/57/86/67/995578667.db2.gz WWSFMYCZGZCHSN-BBRMVZONSA-N 1 0 243.350 2.384 20 30 BEEDRO N#CCC1(C[NH2+]C2([C@@H]3CCCO3)CCC2)CC1 ZINC001308162880 995581834 /nfs/dbraw/zinc/58/18/34/995581834.db2.gz VXDFBHPMXMRWTQ-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO CC[N@H+](C)[C@@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001308177965 995587786 /nfs/dbraw/zinc/58/77/86/995587786.db2.gz XJTAHLVAQNFQOY-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2nsnc21 ZINC001308256575 995602808 /nfs/dbraw/zinc/60/28/08/995602808.db2.gz PGQMTCUFXAGEQG-UHFFFAOYSA-N 1 0 246.339 2.475 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)/C=C(\C)CC ZINC001498039681 1170049922 /nfs/dbraw/zinc/04/99/22/1170049922.db2.gz IVFPPPKTHBRULH-LAHYYIKRSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)CC(CC)CC ZINC001498415683 1170051535 /nfs/dbraw/zinc/05/15/35/1170051535.db2.gz NEEYQARXKVYYEB-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001571389492 1170110205 /nfs/dbraw/zinc/11/02/05/1170110205.db2.gz NJLHRPLSDVYAJH-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCOc1cccc(C[NH2+]CC2(CO)CC2)c1 ZINC001620823172 1170156477 /nfs/dbraw/zinc/15/64/77/1170156477.db2.gz IFYHSRAGDQGHPC-UHFFFAOYSA-N 1 0 247.338 2.114 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1O ZINC001621452374 1170158913 /nfs/dbraw/zinc/15/89/13/1170158913.db2.gz UNXZZXFPFMEPIL-CYBMUJFWSA-N 1 0 235.327 2.152 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CC)CCc1ccccc1 ZINC001621504259 1170160941 /nfs/dbraw/zinc/16/09/41/1170160941.db2.gz XDNOVHJUJYDGFG-JKSUJKDBSA-N 1 0 245.366 2.372 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CNc1cc(F)ccc1C#N ZINC001612678833 1170462531 /nfs/dbraw/zinc/46/25/31/1170462531.db2.gz SZPRCNFIZIVDJR-LBPRGKRZSA-N 1 0 233.290 2.203 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@H]([NH+](CC)CC)C1 ZINC001615728608 1170533265 /nfs/dbraw/zinc/53/32/65/1170533265.db2.gz PLCKUNOPIOABIY-KGLIPLIRSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@@H](C)CC)C1=O ZINC001617562253 1170595066 /nfs/dbraw/zinc/59/50/66/1170595066.db2.gz PNAJGOGJUHUSAM-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001617604212 1170596846 /nfs/dbraw/zinc/59/68/46/1170596846.db2.gz ORMLZJOBZORKRF-QDMKHBRRSA-N 1 0 236.403 2.472 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001617571772 1170597014 /nfs/dbraw/zinc/59/70/14/1170597014.db2.gz MVXOPHYJADQPMY-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@H]1COCC[N@@H+]1C[C@H]1CC2CCC1CC2 ZINC001618447332 1170635776 /nfs/dbraw/zinc/63/57/76/1170635776.db2.gz XBXFCETVUGUCNP-CVSAEHQPSA-N 1 0 233.355 2.147 20 30 BEEDRO C[N@@H+](Cc1ncccn1)CC1CCC(C#N)CC1 ZINC001620536400 1170679854 /nfs/dbraw/zinc/67/98/54/1170679854.db2.gz UBADJLYUYLARAD-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C=C(C)C[NH2+][C@](C)(CC(=O)OC)c1cccnc1 ZINC001620691706 1170702052 /nfs/dbraw/zinc/70/20/52/1170702052.db2.gz YADPJCWLELZIKU-CQSZACIVSA-N 1 0 248.326 2.026 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]CC2(C#N)CCOCC2)C1 ZINC001621102583 1170715364 /nfs/dbraw/zinc/71/53/64/1170715364.db2.gz RMZBMSLNHSTPJL-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)[C@@H](C)CC)CC1CC1 ZINC001621159746 1170727023 /nfs/dbraw/zinc/72/70/23/1170727023.db2.gz HSVRPPQWBBBAHP-JSGCOSHPSA-N 1 0 223.360 2.393 20 30 BEEDRO CC#CCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC001621216136 1170745325 /nfs/dbraw/zinc/74/53/25/1170745325.db2.gz HGDQPMBZBITKDA-UHFFFAOYSA-N 1 0 229.283 2.034 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@@H]1CCCO1 ZINC001621270346 1170755742 /nfs/dbraw/zinc/75/57/42/1170755742.db2.gz SKDCWWZFELBARP-LXFSFDBISA-N 1 0 233.355 2.336 20 30 BEEDRO N#CCC[NH2+]C1CCC2(CSC2)CC1 ZINC001621290436 1170764056 /nfs/dbraw/zinc/76/40/56/1170764056.db2.gz RGIJGDBZIDQUMB-UHFFFAOYSA-N 1 0 210.346 2.165 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC2(CSC2)CC1 ZINC001621291247 1170764528 /nfs/dbraw/zinc/76/45/28/1170764528.db2.gz PTKXNJBGIOQJOZ-GFCCVEGCSA-N 1 0 241.400 2.189 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C/c1cccc(F)c1 ZINC001621324590 1170768009 /nfs/dbraw/zinc/76/80/09/1170768009.db2.gz QSZNAQKDLNHWSE-OKPNEXGHSA-N 1 0 203.260 2.450 20 30 BEEDRO C#C[C@@H](CO)[NH2+]C[C@H](C)CC1CCCCC1 ZINC001621460022 1170814943 /nfs/dbraw/zinc/81/49/43/1170814943.db2.gz AGRNPLGZEIXKAD-OCCSQVGLSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccn1C(F)F ZINC001621464230 1170822621 /nfs/dbraw/zinc/82/26/21/1170822621.db2.gz YAPCCXYVJVCBAV-JTQLQIEISA-N 1 0 242.269 2.011 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc2ccncc2s1 ZINC001621549146 1170843505 /nfs/dbraw/zinc/84/35/05/1170843505.db2.gz DOZGQKRCAZAIBQ-UHFFFAOYSA-N 1 0 216.309 2.361 20 30 BEEDRO N#CCOc1cccc(C[NH2+]CC2CC2)c1 ZINC000037187264 1170933419 /nfs/dbraw/zinc/93/34/19/1170933419.db2.gz CGZMGUVQWCRUMA-UHFFFAOYSA-N 1 0 216.284 2.089 20 30 BEEDRO C=CC[NH2+]C[C@@H](O)COC[C@@H](CC)CCCC ZINC000037851932 1170980804 /nfs/dbraw/zinc/98/08/04/1170980804.db2.gz KDXTVXWHMUMPDW-UONOGXRCSA-N 1 0 243.391 2.356 20 30 BEEDRO CC[C@@H](CC#N)N1CC[NH+](C(C)(C)C)CC1 ZINC000042462103 1171232332 /nfs/dbraw/zinc/23/23/32/1171232332.db2.gz WJBMYUFEQDMQLZ-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CCC(C)C)C1CC1 ZINC001629558998 1171329541 /nfs/dbraw/zinc/32/95/41/1171329541.db2.gz IAYVBVXGXUDYSZ-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC001632542711 1171517321 /nfs/dbraw/zinc/51/73/21/1171517321.db2.gz XCKSPPIYQJOKMD-NQBHXWOUSA-N 1 0 238.375 2.045 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C#N)s1 ZINC000135524557 398135333 /nfs/dbraw/zinc/13/53/33/398135333.db2.gz VHQSQVLVOPPFHW-UHFFFAOYSA-N 1 0 204.298 2.123 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000308672467 136208028 /nfs/dbraw/zinc/20/80/28/136208028.db2.gz VIYUACZDNVRHLD-QMMMGPOBSA-N 1 0 211.334 2.463 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@](C)(O)CC ZINC000299029888 136209011 /nfs/dbraw/zinc/20/90/11/136209011.db2.gz RKUDWACJXFXQKC-CQSZACIVSA-N 1 0 237.343 2.471 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186687815 136207540 /nfs/dbraw/zinc/20/75/40/136207540.db2.gz ZVTLDBIHCXWPRQ-VXGBXAGGSA-N 1 0 235.327 2.288 20 30 BEEDRO C#CC[N@H+](CCCCCn1cccn1)C1CC1 ZINC000274185517 166170077 /nfs/dbraw/zinc/17/00/77/166170077.db2.gz PNQHTZIQNVBNRB-UHFFFAOYSA-N 1 0 231.343 2.151 20 30 BEEDRO CCNC(N[C@@H]1C[C@H]1c1cccc(F)c1)=[NH+]CC ZINC000066244157 136210876 /nfs/dbraw/zinc/21/08/76/136210876.db2.gz MJEZSSJMXLWSFU-QWHCGFSZSA-N 1 0 249.333 2.257 20 30 BEEDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000085982285 136211813 /nfs/dbraw/zinc/21/18/13/136211813.db2.gz YYFZMORDBKHCST-RYUDHWBXSA-N 1 0 248.326 2.010 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)cc1OC ZINC000162620249 398144853 /nfs/dbraw/zinc/14/48/53/398144853.db2.gz FALAMTJDLLCYIN-LBPRGKRZSA-N 1 0 233.311 2.205 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000649322004 398144109 /nfs/dbraw/zinc/14/41/09/398144109.db2.gz VIBSKCORCBGEBD-JKSUJKDBSA-N 1 0 245.366 2.488 20 30 BEEDRO C[C@@H](O)[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000161860297 349507003 /nfs/dbraw/zinc/50/70/03/349507003.db2.gz ZLEVEHUBFSBEKX-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1cc(C[NH2+]CC2(CO)CCC2)ccc1C#N ZINC000332462008 178020805 /nfs/dbraw/zinc/02/08/05/178020805.db2.gz JMGGYFCFUIQJON-UHFFFAOYSA-N 1 0 244.338 2.119 20 30 BEEDRO Cc1cc(C[NH2+]CCC2(O)CCC2)ccc1C#N ZINC000341364618 178020967 /nfs/dbraw/zinc/02/09/67/178020967.db2.gz VNSOYKILOYPZPF-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO C[C@H](CC#N)N(C)Cc1cnc2ccccn12 ZINC000161822140 349509731 /nfs/dbraw/zinc/50/97/31/349509731.db2.gz GWYXQVLUECUJAU-LLVKDONJSA-N 1 0 228.299 2.068 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@@H]2O)ccc1C#N ZINC000336367652 178032596 /nfs/dbraw/zinc/03/25/96/178032596.db2.gz CBAXLIUIPJEPAI-CABCVRRESA-N 1 0 244.338 2.260 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](O)CC2)ccc1C#N ZINC000335876543 178034859 /nfs/dbraw/zinc/03/48/59/178034859.db2.gz BEGIBQWUPWSYED-SHTZXODSSA-N 1 0 244.338 2.260 20 30 BEEDRO C=CC[NH2+][C@H](COC)c1ccc(F)cc1 ZINC000308957202 136217137 /nfs/dbraw/zinc/21/71/37/136217137.db2.gz QXJKJVSXJMDHNP-GFCCVEGCSA-N 1 0 209.264 2.289 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2occc2c1 ZINC000336664960 398179392 /nfs/dbraw/zinc/17/93/92/398179392.db2.gz DVGYWYQFUQQBRJ-LBPRGKRZSA-N 1 0 217.268 2.069 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(CC)C1 ZINC000424291194 398180562 /nfs/dbraw/zinc/18/05/62/398180562.db2.gz DGKZLCZKQVMVRM-MVKMKZAISA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000649349129 398162271 /nfs/dbraw/zinc/16/22/71/398162271.db2.gz FGHGZOIKOHHSAI-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000309074589 136217587 /nfs/dbraw/zinc/21/75/87/136217587.db2.gz IUDLNHZTIZPNJX-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO CC#CC[N@H+](C)CCCC1CCOCC1 ZINC000339758305 398165566 /nfs/dbraw/zinc/16/55/66/398165566.db2.gz GWRLKJRIBPUUKQ-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO CCC[C@H]([NH2+]CC#CCOC)C(C)(C)C ZINC000649931940 398190345 /nfs/dbraw/zinc/19/03/45/398190345.db2.gz IXFNVCUKYWJPEB-LBPRGKRZSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCC1(C)C ZINC000309156057 136217829 /nfs/dbraw/zinc/21/78/29/136217829.db2.gz XKFIBDFHSAFKNF-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO CC#CCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000336732210 136218315 /nfs/dbraw/zinc/21/83/15/136218315.db2.gz LJVSDCLSRRMXFG-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000336736725 136218935 /nfs/dbraw/zinc/21/89/35/136218935.db2.gz PPRMMPAIYPQFHY-QWHCGFSZSA-N 1 0 200.285 2.293 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000309520811 136219009 /nfs/dbraw/zinc/21/90/09/136219009.db2.gz UBVPRPSITLSRKT-CMPLNLGQSA-N 1 0 216.284 2.174 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H](O)C(F)F ZINC000336739220 136219190 /nfs/dbraw/zinc/21/91/90/136219190.db2.gz SEUAINHGQZYDRV-ZJUUUORDSA-N 1 0 221.291 2.337 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)CCO1 ZINC000446825313 201698276 /nfs/dbraw/zinc/69/82/76/201698276.db2.gz YXEGWYSPSCXCPD-RQJABVFESA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000336744559 136219605 /nfs/dbraw/zinc/21/96/05/136219605.db2.gz QFEQDRBNSJTRIB-CYBMUJFWSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000336750135 136219816 /nfs/dbraw/zinc/21/98/16/136219816.db2.gz FPYSPBFEGZLQTR-RYUDHWBXSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1F ZINC000186714600 349517527 /nfs/dbraw/zinc/51/75/27/349517527.db2.gz QBSIXEYSEVJTFZ-WDEREUQCSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000336751029 136220032 /nfs/dbraw/zinc/22/00/32/136220032.db2.gz GFWMSKSAYBJSSQ-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000335543873 398206251 /nfs/dbraw/zinc/20/62/51/398206251.db2.gz LDVFVXPAEXEYFY-DOMZBBRYSA-N 1 0 244.338 2.009 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000650000995 398213431 /nfs/dbraw/zinc/21/34/31/398213431.db2.gz OLERWUZLSNPJPX-AGIUHOORSA-N 1 0 209.333 2.145 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336773942 136221442 /nfs/dbraw/zinc/22/14/42/136221442.db2.gz ZCCPEUQFSYHVRJ-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000126871215 398220908 /nfs/dbraw/zinc/22/09/08/398220908.db2.gz JRNFFNBAYKHMSP-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1nncn1CC)C1CC1 ZINC000120202784 136222459 /nfs/dbraw/zinc/22/24/59/136222459.db2.gz XUTHDAFZIHZLIW-GFCCVEGCSA-N 1 0 234.347 2.132 20 30 BEEDRO N#CCC[NH2+]CCc1cc(F)ccc1F ZINC000258891245 349519951 /nfs/dbraw/zinc/51/99/51/349519951.db2.gz JIFUCGXLICRDII-UHFFFAOYSA-N 1 0 210.227 2.011 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000650032145 398224176 /nfs/dbraw/zinc/22/41/76/398224176.db2.gz XRQCAGXKUZREEF-NEPJUHHUSA-N 1 0 238.718 2.168 20 30 BEEDRO C[C@H]1C[C@H](CO)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000421361690 192332614 /nfs/dbraw/zinc/33/26/14/192332614.db2.gz LKXQUTAFDHUDHP-STQMWFEESA-N 1 0 238.375 2.267 20 30 BEEDRO N#Cc1cccc(C[NH+]2C3CCC2CC3)n1 ZINC000602435293 349522614 /nfs/dbraw/zinc/52/26/14/349522614.db2.gz KQOIFMIEYUGWJW-UHFFFAOYSA-N 1 0 213.284 2.080 20 30 BEEDRO CN(C)c1ccccc1C[NH2+]CCCC#N ZINC000336775629 398236804 /nfs/dbraw/zinc/23/68/04/398236804.db2.gz ZOYAGJGMTBHVAB-UHFFFAOYSA-N 1 0 217.316 2.146 20 30 BEEDRO CC[C@@H](C)[C@H](CN(CC)CCC#N)OC ZINC000602439008 349525454 /nfs/dbraw/zinc/52/54/54/349525454.db2.gz VLAXBESJZKUYJK-NEPJUHHUSA-N 1 0 212.337 2.283 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000335754280 398238785 /nfs/dbraw/zinc/23/87/85/398238785.db2.gz XERKEMJCVOZRKN-BXUZGUMPSA-N 1 0 230.311 2.340 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)COCc1ccccc1 ZINC000074289311 136226884 /nfs/dbraw/zinc/22/68/84/136226884.db2.gz DJYHCYZBKOXNGL-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](CCO)C1CCCC1 ZINC000602427722 349533467 /nfs/dbraw/zinc/53/34/67/349533467.db2.gz JKTFOOKLDUIOGV-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)N1CCC[N@@H+](C[C@@H](C)CCC#N)CC1 ZINC000602428581 349533336 /nfs/dbraw/zinc/53/33/36/349533336.db2.gz QEFBRTWOWOMSDF-AWEZNQCLSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCOC1 ZINC000337223578 398240739 /nfs/dbraw/zinc/24/07/39/398240739.db2.gz ODQNADQRIDBKLG-GXFFZTMASA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H](CCNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000285181833 136228752 /nfs/dbraw/zinc/22/87/52/136228752.db2.gz UTHGSXBWFLRQJB-NEPJUHHUSA-N 1 0 231.343 2.118 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000576747057 365673578 /nfs/dbraw/zinc/67/35/78/365673578.db2.gz OTNLYCRGPIAKOG-ZIAGYGMSSA-N 1 0 230.311 2.410 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)C[C@@H]1CCCO1 ZINC000602448621 349549732 /nfs/dbraw/zinc/54/97/32/349549732.db2.gz JPJOHRKTADLWFO-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602451141 349551974 /nfs/dbraw/zinc/55/19/74/349551974.db2.gz YGKWACOQAJGONH-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CO[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602451143 349552141 /nfs/dbraw/zinc/55/21/41/349552141.db2.gz YGKWACOQAJGONH-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H](C)O)CC1 ZINC000602458952 349554328 /nfs/dbraw/zinc/55/43/28/349554328.db2.gz RNCUPQTUOMNUCQ-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000602458928 349554879 /nfs/dbraw/zinc/55/48/79/349554879.db2.gz QYVNNSDWRPELSZ-UONOGXRCSA-N 1 0 246.358 2.460 20 30 BEEDRO Cc1ccc(C#N)c(NCC2([NH+](C)C)CCC2)n1 ZINC000097932691 178363380 /nfs/dbraw/zinc/36/33/80/178363380.db2.gz GJRSQCZKJJLADV-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[C@@](C)(C[N@H+](CCC#N)CC1CC1)OC ZINC000602463084 349557158 /nfs/dbraw/zinc/55/71/58/349557158.db2.gz QXRVHDHYPKDIHJ-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO CCC[C@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602472119 349543026 /nfs/dbraw/zinc/54/30/26/349543026.db2.gz GUWFMPQFTHQUNG-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000050164301 178365680 /nfs/dbraw/zinc/36/56/80/178365680.db2.gz ORJAYUIWUQCWLT-AAEUAGOBSA-N 1 0 244.342 2.062 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000602477767 349564148 /nfs/dbraw/zinc/56/41/48/349564148.db2.gz UCSDAGLIVLNZNT-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO CCN1C[C@H](C)[N@H+](C[C@H](C)CCC#N)C[C@@H]1C ZINC000602477292 349564428 /nfs/dbraw/zinc/56/44/28/349564428.db2.gz JIMOHFRLGYBBBB-RDBSUJKOSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CC1CCOCC1 ZINC000602477448 349564558 /nfs/dbraw/zinc/56/45/58/349564558.db2.gz XBSRBBUAAJCQQA-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO CC[C@](C)(C[N@H+](C[C@@H](C)C#N)C1CC1)OC ZINC000602488119 349570503 /nfs/dbraw/zinc/57/05/03/349570503.db2.gz ZMYPHEZWOLTGIK-WCQYABFASA-N 1 0 224.348 2.426 20 30 BEEDRO C[NH2+]Cc1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000602496497 349558750 /nfs/dbraw/zinc/55/87/50/349558750.db2.gz DTHITZSLXFUHTL-UHFFFAOYSA-N 1 0 243.310 2.038 20 30 BEEDRO COC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000378754656 346825021 /nfs/dbraw/zinc/82/50/21/346825021.db2.gz XIIQJUWVOHVWOB-DRZSPHRISA-N 1 0 222.332 2.083 20 30 BEEDRO CSCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602499228 349559857 /nfs/dbraw/zinc/55/98/57/349559857.db2.gz PQRZCXOTQKVCLS-NSHDSACASA-N 1 0 242.388 2.038 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000602520672 349574911 /nfs/dbraw/zinc/57/49/11/349574911.db2.gz HMARBPMKPLFORN-BPCQOVAHSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCCO1 ZINC000602523493 349576880 /nfs/dbraw/zinc/57/68/80/349576880.db2.gz YVMDPJFGPPQEJP-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H](C)C1CC1 ZINC000602504686 349580940 /nfs/dbraw/zinc/58/09/40/349580940.db2.gz SUVFLHBZOXQFBG-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)c1ccccc1 ZINC000602547500 349590503 /nfs/dbraw/zinc/59/05/03/349590503.db2.gz PWIGNHUAXALXDM-JSGCOSHPSA-N 1 0 232.327 2.249 20 30 BEEDRO N#CC1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000602505558 349582548 /nfs/dbraw/zinc/58/25/48/349582548.db2.gz FFADTRBXAJWTHY-UHFFFAOYSA-N 1 0 247.386 2.285 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602506563 349582817 /nfs/dbraw/zinc/58/28/17/349582817.db2.gz DIUQECGNYHKALQ-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO CCN(CC)[C@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602511855 349585116 /nfs/dbraw/zinc/58/51/16/349585116.db2.gz VABARXSJXBUREA-CHWSQXEVSA-N 1 0 225.380 2.246 20 30 BEEDRO CCN(CC)[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602510283 349585274 /nfs/dbraw/zinc/58/52/74/349585274.db2.gz KXMKWBXOKAXJID-IYXRBSQSSA-N 1 0 237.391 2.389 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602511261 349585440 /nfs/dbraw/zinc/58/54/40/349585440.db2.gz NQPOTFIFDMUCCN-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[C@H]1C ZINC000602513853 349586240 /nfs/dbraw/zinc/58/62/40/349586240.db2.gz FJYVCFODCBXZRL-UPJWGTAASA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCCn1ccnc1 ZINC000602519264 349573880 /nfs/dbraw/zinc/57/38/80/349573880.db2.gz WOQQXUJENYMXQH-CYBMUJFWSA-N 1 0 234.347 2.193 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCCn1ccnc1 ZINC000602519265 349574200 /nfs/dbraw/zinc/57/42/00/349574200.db2.gz WOQQXUJENYMXQH-ZDUSSCGKSA-N 1 0 234.347 2.193 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000602519825 349574458 /nfs/dbraw/zinc/57/44/58/349574458.db2.gz BKFDZLKKTVFQQG-TUKIKUTGSA-N 1 0 244.338 2.174 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000602558724 349598248 /nfs/dbraw/zinc/59/82/48/349598248.db2.gz NTNWDPZNWLKIKE-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@@H](C[C@@H](C)CO)[NH2+]C1CCC(C#N)CC1 ZINC000602560171 349599720 /nfs/dbraw/zinc/59/97/20/349599720.db2.gz WTTSWRUQNFVEIO-ZIHBUVQPSA-N 1 0 238.375 2.455 20 30 BEEDRO CCN(CC)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602548826 349590816 /nfs/dbraw/zinc/59/08/16/349590816.db2.gz FUIHUNMHTYKXRA-QWHCGFSZSA-N 1 0 225.380 2.246 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602548827 349591419 /nfs/dbraw/zinc/59/14/19/349591419.db2.gz FUIHUNMHTYKXRA-STQMWFEESA-N 1 0 225.380 2.246 20 30 BEEDRO CSC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602551265 349592759 /nfs/dbraw/zinc/59/27/59/349592759.db2.gz GYVIDTCKHSRXFF-WHXUTIOJSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000602554472 349596144 /nfs/dbraw/zinc/59/61/44/349596144.db2.gz YWLIHMGVYCNHGZ-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(CCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602555880 349596820 /nfs/dbraw/zinc/59/68/20/349596820.db2.gz CQORHODJWXFKPG-UHFFFAOYSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602555442 349597137 /nfs/dbraw/zinc/59/71/37/349597137.db2.gz HMXVCZIWEGYQLQ-WXRRBKDZSA-N 1 0 238.375 2.455 20 30 BEEDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cccc(C#N)c1F ZINC000335312102 344000459 /nfs/dbraw/zinc/00/04/59/344000459.db2.gz AHXMPBMAYUTXOB-LBPRGKRZSA-N 1 0 248.301 2.043 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602557582 349597685 /nfs/dbraw/zinc/59/76/85/349597685.db2.gz LHXLQQXMVVIELC-MOKVOYLWSA-N 1 0 238.375 2.457 20 30 BEEDRO C[N@@H+]1CCCC12CCN(CCC(C)(C)C#N)CC2 ZINC000334925336 398274143 /nfs/dbraw/zinc/27/41/43/398274143.db2.gz DOYTZUHNYVTDFX-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO Cc1cncc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000602580534 349608523 /nfs/dbraw/zinc/60/85/23/349608523.db2.gz NXIYHTIIGMBXLA-NSHDSACASA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ncccc1F ZINC000602581786 349609308 /nfs/dbraw/zinc/60/93/08/349609308.db2.gz KYCIWOLHZQIFQL-JTQLQIEISA-N 1 0 221.279 2.250 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCCOCC2)CC1 ZINC000602582180 349610009 /nfs/dbraw/zinc/61/00/09/349610009.db2.gz OZYQSWFDNNFHSN-OTTFEQOBSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCCOCC2)CC1 ZINC000602582178 349610138 /nfs/dbraw/zinc/61/01/38/349610138.db2.gz OZYQSWFDNNFHSN-CPCZMJQVSA-N 1 0 222.332 2.227 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602582756 349610315 /nfs/dbraw/zinc/61/03/15/349610315.db2.gz NWITXNLFTLYGIF-FKZOYECMSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(CO)c1 ZINC000602539731 349605391 /nfs/dbraw/zinc/60/53/91/349605391.db2.gz JNWCBVSOAQCMTB-LBPRGKRZSA-N 1 0 232.327 2.208 20 30 BEEDRO CC[C@@H](CC#N)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153292 342691838 /nfs/dbraw/zinc/69/18/38/342691838.db2.gz YBZZLYJSPXFPJS-NWDGAFQWSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000335603997 136235883 /nfs/dbraw/zinc/23/58/83/136235883.db2.gz BLUFHRIXIMJKGW-ZWNOBZJWSA-N 1 0 232.352 2.399 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000600183768 342697685 /nfs/dbraw/zinc/69/76/85/342697685.db2.gz FEZATCGHYZKBOV-NSHDSACASA-N 1 0 248.326 2.199 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)nc1 ZINC000166810570 361857569 /nfs/dbraw/zinc/85/75/69/361857569.db2.gz OMLGLERTRGDBQI-SNVBAGLBSA-N 1 0 206.289 2.144 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC000613255499 361857790 /nfs/dbraw/zinc/85/77/90/361857790.db2.gz MQDWVQOPEBKUHC-WDEREUQCSA-N 1 0 233.290 2.393 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000602588064 349613390 /nfs/dbraw/zinc/61/33/90/349613390.db2.gz KRCOMTIWPYWZRM-HZSPNIEDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCN(C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418493611 192042211 /nfs/dbraw/zinc/04/22/11/192042211.db2.gz RBABDIOALZUSIE-LLVKDONJSA-N 1 0 247.342 2.034 20 30 BEEDRO C=CCN(C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418493612 192042230 /nfs/dbraw/zinc/04/22/30/192042230.db2.gz RBABDIOALZUSIE-NSHDSACASA-N 1 0 247.342 2.034 20 30 BEEDRO C=C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418496019 192042361 /nfs/dbraw/zinc/04/23/61/192042361.db2.gz UYJCTRQASBBCSW-QWRGUYRKSA-N 1 0 247.342 2.080 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602564073 349616076 /nfs/dbraw/zinc/61/60/76/349616076.db2.gz LDKGNATTYTVXNC-IKWCTNDRSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602564075 349616192 /nfs/dbraw/zinc/61/61/92/349616192.db2.gz LDKGNATTYTVXNC-XVSSEFHLSA-N 1 0 224.348 2.065 20 30 BEEDRO COC[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccco1 ZINC000602563715 349616265 /nfs/dbraw/zinc/61/62/65/349616265.db2.gz HHEQJWWLWNRQMA-NWDGAFQWSA-N 1 0 236.315 2.497 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(F)cc1F ZINC000320224858 342732461 /nfs/dbraw/zinc/73/24/61/342732461.db2.gz HJVKYOSPMXOXAR-GFCCVEGCSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cscn1 ZINC000320296713 342733102 /nfs/dbraw/zinc/73/31/02/342733102.db2.gz RHXHZPYDUSLOOH-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC1([NH2+]C)CCC1 ZINC000630002094 361889816 /nfs/dbraw/zinc/88/98/16/361889816.db2.gz OTFYLYVBEKGLNS-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C1(C)C ZINC000602565000 349616788 /nfs/dbraw/zinc/61/67/88/349616788.db2.gz YJGLSGTXQBLYFZ-TYUFSLCMSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](CO)c1ccccc1 ZINC000602564888 349617182 /nfs/dbraw/zinc/61/71/82/349617182.db2.gz WBWCNKSGEYBBRZ-UKRRQHHQSA-N 1 0 246.354 2.292 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]C[C@H](C)CCC#N ZINC000602565301 349617809 /nfs/dbraw/zinc/61/78/09/349617809.db2.gz AGURGEUYQGKWIQ-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO Cc1c(C[NH+]2CCC(CCC#N)CC2)cnn1C ZINC000259902950 349617982 /nfs/dbraw/zinc/61/79/82/349617982.db2.gz FUQCUAXVTWRIFN-UHFFFAOYSA-N 1 0 246.358 2.244 20 30 BEEDRO CS[C@@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602571817 349621593 /nfs/dbraw/zinc/62/15/93/349621593.db2.gz OJPFVVFTEULDFZ-WHXUTIOJSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000602571831 349621640 /nfs/dbraw/zinc/62/16/40/349621640.db2.gz OYOVQSDTPWKLHS-CMPLNLGQSA-N 1 0 232.331 2.317 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000602567749 349619587 /nfs/dbraw/zinc/61/95/87/349619587.db2.gz INCGYQQYOSDZLZ-FRRDWIJNSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C1CCC1 ZINC000630017266 361899828 /nfs/dbraw/zinc/89/98/28/361899828.db2.gz NHQGLUOZZLXIOH-OKILXGFUSA-N 1 0 248.370 2.180 20 30 BEEDRO CS[C@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602573258 349623226 /nfs/dbraw/zinc/62/32/26/349623226.db2.gz ZVRPOUJDRIWEHY-NXEZZACHSA-N 1 0 200.351 2.267 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000388343575 346863797 /nfs/dbraw/zinc/86/37/97/346863797.db2.gz KVSRAUKWPCQXMN-ZANVPECISA-N 1 0 234.299 2.054 20 30 BEEDRO COC1(C[NH2+]CC(C)(C)C#N)CCCCC1 ZINC000336724119 342817787 /nfs/dbraw/zinc/81/77/87/342817787.db2.gz BBHKYIGQMLKCSP-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000186693160 538974510 /nfs/dbraw/zinc/97/45/10/538974510.db2.gz HQIMVLLRMKTMLV-OCCSQVGLSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000380167747 538986552 /nfs/dbraw/zinc/98/65/52/538986552.db2.gz CSZMBQDGNZDUGI-LPWJVIDDSA-N 1 0 211.349 2.338 20 30 BEEDRO CN(CCC#N)CCOCc1ccccc1 ZINC000154612441 398293201 /nfs/dbraw/zinc/29/32/01/398293201.db2.gz BUKKZQUGJNKABM-UHFFFAOYSA-N 1 0 218.300 2.049 20 30 BEEDRO C=C(C)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000380114452 538985498 /nfs/dbraw/zinc/98/54/98/538985498.db2.gz PCVMCRNYNWALGM-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000381229202 538996538 /nfs/dbraw/zinc/99/65/38/538996538.db2.gz KMYJCHBWWWCVOS-JQWIXIFHSA-N 1 0 219.332 2.475 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000381229211 538996927 /nfs/dbraw/zinc/99/69/27/538996927.db2.gz KMYJCHBWWWCVOS-PWSUYJOCSA-N 1 0 219.332 2.475 20 30 BEEDRO Cc1[nH]nc2ncc(C[NH2+]CCCCC#N)cc12 ZINC000348848208 136242116 /nfs/dbraw/zinc/24/21/16/136242116.db2.gz KELYPUVJVJHVMP-UHFFFAOYSA-N 1 0 243.314 2.050 20 30 BEEDRO C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449356382 398297216 /nfs/dbraw/zinc/29/72/16/398297216.db2.gz HJSSUGNYRCXPLX-RWMBFGLXSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)NCC(C)(C)C ZINC000625063337 342847520 /nfs/dbraw/zinc/84/75/20/342847520.db2.gz KGTFSWQHGGSMCR-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000516660164 398303314 /nfs/dbraw/zinc/30/33/14/398303314.db2.gz NOJKFVAPMYSJGL-JTQLQIEISA-N 1 0 203.289 2.184 20 30 BEEDRO CCC1(CO)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000351333519 136244135 /nfs/dbraw/zinc/24/41/35/136244135.db2.gz VVUISXQFZFKWPE-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000351336115 136244141 /nfs/dbraw/zinc/24/41/41/136244141.db2.gz YNJGBHXCQXXSFS-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CCCCC#N ZINC000134557153 342865808 /nfs/dbraw/zinc/86/58/08/342865808.db2.gz XXYCLKASTDXJNT-SECBINFHSA-N 1 0 206.293 2.063 20 30 BEEDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000417393926 398306893 /nfs/dbraw/zinc/30/68/93/398306893.db2.gz CVHOFKWWJWVSHC-YUELXQCFSA-N 1 0 242.322 2.049 20 30 BEEDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000278785144 398315862 /nfs/dbraw/zinc/31/58/62/398315862.db2.gz VZVCGDZZPOZRFC-CQSZACIVSA-N 1 0 248.326 2.278 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000226595499 342899564 /nfs/dbraw/zinc/89/95/64/342899564.db2.gz BFZXSULCOZUWQA-UTUOFQBUSA-N 1 0 210.321 2.226 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000602610277 349633769 /nfs/dbraw/zinc/63/37/69/349633769.db2.gz SHWMJHDCXSCUJR-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CCC(C#N)CC1 ZINC000602612856 349636315 /nfs/dbraw/zinc/63/63/15/349636315.db2.gz RYJNTQOHAIQTOU-MOENNCHZSA-N 1 0 205.305 2.351 20 30 BEEDRO C=CCN(CC(=O)NC(C)C)Cc1ccccc1 ZINC000045796741 342923022 /nfs/dbraw/zinc/92/30/22/342923022.db2.gz DOVVRUAFNUHXQS-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)c1ccsc1 ZINC000602619065 349640455 /nfs/dbraw/zinc/64/04/55/349640455.db2.gz LCCUCIUSRIIMJC-JQWIXIFHSA-N 1 0 238.356 2.311 20 30 BEEDRO COCC1=CC[N@H+](C[C@@H](C)CCC#N)CC1 ZINC000602619649 349640495 /nfs/dbraw/zinc/64/04/95/349640495.db2.gz IMWPPWRTVUISPM-LBPRGKRZSA-N 1 0 222.332 2.205 20 30 BEEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1C[C@H](C)CCC#N ZINC000602625071 349643116 /nfs/dbraw/zinc/64/31/16/349643116.db2.gz CSMUYWWFJGAXHV-SYQHCUMBSA-N 1 0 238.375 2.408 20 30 BEEDRO CCC[C@H](C[NH+]1CCC(CC#N)CC1)OC ZINC000602597027 349644362 /nfs/dbraw/zinc/64/43/62/349644362.db2.gz QGHQDNWRVAXBCX-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351619024 136248135 /nfs/dbraw/zinc/24/81/35/136248135.db2.gz IYACWDNMAVEUMW-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(CCO)CCCC1 ZINC000602649057 349658825 /nfs/dbraw/zinc/65/88/25/349658825.db2.gz GUNVSIWQAMAXMR-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000602650402 349659433 /nfs/dbraw/zinc/65/94/33/349659433.db2.gz GIUZBHNYNUBLRF-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CSC1(C)C ZINC000602650146 349659494 /nfs/dbraw/zinc/65/94/94/349659494.db2.gz BMITZUCJVDNWKP-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000602650406 349659599 /nfs/dbraw/zinc/65/95/99/349659599.db2.gz GIUZBHNYNUBLRF-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@]1(O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000495229309 529440729 /nfs/dbraw/zinc/44/07/29/529440729.db2.gz NZAHHFOBAUYSIQ-HNNXBMFYSA-N 1 0 247.313 2.024 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000602653401 349660364 /nfs/dbraw/zinc/66/03/64/349660364.db2.gz ZUEWHBCEAPWTSQ-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)CC1CCC1 ZINC000602637607 349651437 /nfs/dbraw/zinc/65/14/37/349651437.db2.gz HDFOEIBTWSDRIZ-YPMHNXCESA-N 1 0 224.348 2.067 20 30 BEEDRO CCC(CC)(CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602659097 349653732 /nfs/dbraw/zinc/65/37/32/349653732.db2.gz NBLKWOMUUNNLEK-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000602640724 349653943 /nfs/dbraw/zinc/65/39/43/349653943.db2.gz YZPBKPPYOQAOIO-AAEUAGOBSA-N 1 0 244.338 2.389 20 30 BEEDRO CO[C@H](C[NH2+]CC1(CC#N)CC1)CC(C)C ZINC000602642081 349654584 /nfs/dbraw/zinc/65/45/84/349654584.db2.gz HSSRCPLWCOSGJS-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCc3cccnc3CC2)CC1 ZINC000602644178 349655991 /nfs/dbraw/zinc/65/59/91/349655991.db2.gz WLVFDRYEJXDBEC-CYBMUJFWSA-N 1 0 241.338 2.222 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000351723609 136249737 /nfs/dbraw/zinc/24/97/37/136249737.db2.gz ZNQMRHXQZKJNBY-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@@H](C)CCC#N ZINC000602649560 349658334 /nfs/dbraw/zinc/65/83/34/349658334.db2.gz WKUREACGRGMPRK-NWDGAFQWSA-N 1 0 240.347 2.200 20 30 BEEDRO CC[C@](C)(C[NH2+]C[C@H](C)CCC#N)OC ZINC000602676455 349669091 /nfs/dbraw/zinc/66/90/91/349669091.db2.gz QCNITISEZJCXPV-VXGBXAGGSA-N 1 0 212.337 2.331 20 30 BEEDRO COC[C@]1(C)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602675592 349669278 /nfs/dbraw/zinc/66/92/78/349669278.db2.gz UVZZQQWNJJJDRX-CHWSQXEVSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(N(C)C)CCC1 ZINC000602626844 349664223 /nfs/dbraw/zinc/66/42/23/349664223.db2.gz AAJYYQKELYYXMA-GFCCVEGCSA-N 1 0 223.364 2.000 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CC(C)(C)O ZINC000602678030 349671045 /nfs/dbraw/zinc/67/10/45/349671045.db2.gz AAGJGVXJUDUQNN-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO CCC[C@@H](C[NH2+]C1CCC(C#N)CC1)OC ZINC000602672712 349666700 /nfs/dbraw/zinc/66/67/00/349666700.db2.gz GAUFHGKIJJIBCH-BPCQOVAHSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)[C@@H]1CCOC1 ZINC000602673636 349667498 /nfs/dbraw/zinc/66/74/98/349667498.db2.gz AFJQCGDFAHHIKO-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C(C)(C)O ZINC000602674067 349667591 /nfs/dbraw/zinc/66/75/91/349667591.db2.gz CCNPSOGVXCPOIU-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO COc1cccnc1C[NH2+]C1CCC(C#N)CC1 ZINC000602682347 349674399 /nfs/dbraw/zinc/67/43/99/349674399.db2.gz QRZVKIMJZAIRPB-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO CC[C@@H]1CN(CC)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602681817 349674410 /nfs/dbraw/zinc/67/44/10/349674410.db2.gz LVCMYQDMQKVSNR-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CCCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000260238281 349676106 /nfs/dbraw/zinc/67/61/06/349676106.db2.gz WSOQTPYDPRMAFU-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602684057 349676299 /nfs/dbraw/zinc/67/62/99/349676299.db2.gz FDTPSPYJXABADX-FIYWTHMPSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000602685760 349677007 /nfs/dbraw/zinc/67/70/07/349677007.db2.gz KWIQRQZWSBKAAH-STQMWFEESA-N 1 0 224.348 2.021 20 30 BEEDRO Cc1ccncc1C[NH2+]C[C@H](C)CCC#N ZINC000602685420 349677144 /nfs/dbraw/zinc/67/71/44/349677144.db2.gz OUTRTCFLCISDOE-LLVKDONJSA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCCC1(C)C ZINC000602684967 349677217 /nfs/dbraw/zinc/67/72/17/349677217.db2.gz CEYHQFYJZIUIHY-ZDUSSCGKSA-N 1 0 237.391 2.390 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449755168 398340200 /nfs/dbraw/zinc/34/02/00/398340200.db2.gz MMCINBALXUUFLL-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000168256990 398340766 /nfs/dbraw/zinc/34/07/66/398340766.db2.gz HMOKLXYMUCSNIL-WUHRBBMRSA-N 1 0 211.349 2.338 20 30 BEEDRO N#CC1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000602678951 349671427 /nfs/dbraw/zinc/67/14/27/349671427.db2.gz ZZRZRPXYDQYESN-UBHUBRDASA-N 1 0 236.359 2.209 20 30 BEEDRO CS[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602681476 349673374 /nfs/dbraw/zinc/67/33/74/349673374.db2.gz VEIMZVBWSUOOBP-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000602681007 349673584 /nfs/dbraw/zinc/67/35/84/349673584.db2.gz HGUGDVFINNTOCN-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cnn2ccccc12 ZINC000602664173 349684091 /nfs/dbraw/zinc/68/40/91/349684091.db2.gz UCKOMWVZYHFHMK-LBPRGKRZSA-N 1 0 242.326 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCCOC1 ZINC000602665675 349684241 /nfs/dbraw/zinc/68/42/41/349684241.db2.gz XLIRIHCGRMCRMR-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO COC1([C@@H](C)[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602689422 349680498 /nfs/dbraw/zinc/68/04/98/349680498.db2.gz HLPICEZLAOGAEW-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CSC[C@H]1C ZINC000602661758 349681000 /nfs/dbraw/zinc/68/10/00/349681000.db2.gz LNHRWFNDEWPBFI-GMTAPVOTSA-N 1 0 212.362 2.267 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000602663108 349682894 /nfs/dbraw/zinc/68/28/94/349682894.db2.gz TWFNDVPWGXQDNU-NWINJMCUSA-N 1 0 236.359 2.352 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](OCCOCC)C1 ZINC000351754951 136251951 /nfs/dbraw/zinc/25/19/51/136251951.db2.gz GTULMGYZQADUJJ-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C ZINC000602664433 349683536 /nfs/dbraw/zinc/68/35/36/349683536.db2.gz DBVNSBIOKICVFV-HZSPNIEDSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cnn2ccccc12 ZINC000602664172 349683674 /nfs/dbraw/zinc/68/36/74/349683674.db2.gz UCKOMWVZYHFHMK-GFCCVEGCSA-N 1 0 242.326 2.364 20 30 BEEDRO CCC[C@@H](C[NH2+]CC(C)(C)CC#N)OC ZINC000602690303 349687794 /nfs/dbraw/zinc/68/77/94/349687794.db2.gz IROXZOZMHYMOSA-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(F)c1N ZINC000602692659 349689653 /nfs/dbraw/zinc/68/96/53/349689653.db2.gz XAOSKFHCOIJDSF-UHFFFAOYSA-N 1 0 235.306 2.437 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000602692472 349689774 /nfs/dbraw/zinc/68/97/74/349689774.db2.gz IGYYLMQFDFKMPX-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000602692894 349690000 /nfs/dbraw/zinc/69/00/00/349690000.db2.gz ZVUAKVQPAYCGQV-VWYCJHECSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC1(F)F ZINC000602692788 349690143 /nfs/dbraw/zinc/69/01/43/349690143.db2.gz BCCDQKCETFYCAF-UTINFBMNSA-N 1 0 214.259 2.312 20 30 BEEDRO CCCC[C@@](C)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602694748 349691703 /nfs/dbraw/zinc/69/17/03/349691703.db2.gz BZOOHRDEZMLNSV-OLZOCXBDSA-N 1 0 226.364 2.457 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000624013897 346902841 /nfs/dbraw/zinc/90/28/41/346902841.db2.gz LNMJENOKCMCOLI-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602696247 349692670 /nfs/dbraw/zinc/69/26/70/349692670.db2.gz XBZRURUTWUYQDI-AGIUHOORSA-N 1 0 222.332 2.107 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCC[C@@H](CC)C1 ZINC000308912017 133451682 /nfs/dbraw/zinc/45/16/82/133451682.db2.gz DYSGFPIPRWTMIO-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000602697314 349693424 /nfs/dbraw/zinc/69/34/24/349693424.db2.gz JUGZLIOFXHXVIL-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000602697311 349693673 /nfs/dbraw/zinc/69/36/73/349693673.db2.gz JUGZLIOFXHXVIL-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000602697419 349693827 /nfs/dbraw/zinc/69/38/27/349693827.db2.gz PWKKTYKTIIXKII-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)[C@H](C)CO1 ZINC000602698321 349694560 /nfs/dbraw/zinc/69/45/60/349694560.db2.gz JQEAEJBMUTXDLW-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602699214 349695375 /nfs/dbraw/zinc/69/53/75/349695375.db2.gz NNAHAAMWUOSMMA-AVGNSLFASA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H](O)C(C)C ZINC000602691288 349688410 /nfs/dbraw/zinc/68/84/10/349688410.db2.gz QNBWOYBNKRURNO-FRRDWIJNSA-N 1 0 226.364 2.311 20 30 BEEDRO CS[C@H](C[NH2+]CCC#N)C(C)(C)C ZINC000576817985 365692647 /nfs/dbraw/zinc/69/26/47/365692647.db2.gz ZOVSMPPRDJTGBB-SECBINFHSA-N 1 0 200.351 2.267 20 30 BEEDRO C=C(C)CC[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000351814216 136254875 /nfs/dbraw/zinc/25/48/75/136254875.db2.gz JKSMSVCQLMOQNF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602691779 349689092 /nfs/dbraw/zinc/68/90/92/349689092.db2.gz SLRPDMHIYODDAW-UPJWGTAASA-N 1 0 224.348 2.472 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccns1 ZINC000602691744 349689155 /nfs/dbraw/zinc/68/91/55/349689155.db2.gz RKOLZAVRBFKQOW-UHFFFAOYSA-N 1 0 209.318 2.173 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCC1CCCCCC1 ZINC000308951485 133452152 /nfs/dbraw/zinc/45/21/52/133452152.db2.gz VGZOIFHNAMGJKB-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](C)C[C@H]1C(=O)OC ZINC000351812428 136254935 /nfs/dbraw/zinc/25/49/35/136254935.db2.gz FDUYPNHJAQSGBS-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1sccc1C ZINC000308738245 346906670 /nfs/dbraw/zinc/90/66/70/346906670.db2.gz MWCORNAOJHFSAP-SNVBAGLBSA-N 1 0 211.330 2.256 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1sccc1C ZINC000308738244 346906735 /nfs/dbraw/zinc/90/67/35/346906735.db2.gz MWCORNAOJHFSAP-JTQLQIEISA-N 1 0 211.330 2.256 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000602705832 349700201 /nfs/dbraw/zinc/70/02/01/349700201.db2.gz MSVIJIHDFDUFCC-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000602712434 349704878 /nfs/dbraw/zinc/70/48/78/349704878.db2.gz WJJGHRGDYQYXMB-LLVKDONJSA-N 1 0 246.358 2.327 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000602707832 349700949 /nfs/dbraw/zinc/70/09/49/349700949.db2.gz JSQOTMSSAFQYOJ-JSGCOSHPSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1c(C2CC2)cnn1C ZINC000602712435 349704904 /nfs/dbraw/zinc/70/49/04/349704904.db2.gz WJJGHRGDYQYXMB-NSHDSACASA-N 1 0 246.358 2.327 20 30 BEEDRO N#CC1CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000602712856 349704925 /nfs/dbraw/zinc/70/49/25/349704925.db2.gz OYIGXDCXIGLGOO-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000351837266 136256716 /nfs/dbraw/zinc/25/67/16/136256716.db2.gz UOBCMBBPUAILQK-UHFFFAOYSA-N 1 0 219.275 2.045 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CC(C(C)C)C1 ZINC000309014068 133453280 /nfs/dbraw/zinc/45/32/80/133453280.db2.gz SXDQBKXJUSODAM-PNESKVBLSA-N 1 0 211.349 2.195 20 30 BEEDRO CCCN1CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602712139 349704722 /nfs/dbraw/zinc/70/47/22/349704722.db2.gz AGAPAOAVSGNHER-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO CCCN1CC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602712137 349704587 /nfs/dbraw/zinc/70/45/87/349704587.db2.gz AGAPAOAVSGNHER-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(C#N)c(C)c2)C1 ZINC000352204022 536717806 /nfs/dbraw/zinc/71/78/06/536717806.db2.gz WGCDZOBJRXEDQS-UHFFFAOYSA-N 1 0 244.338 2.476 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000602711034 349703426 /nfs/dbraw/zinc/70/34/26/349703426.db2.gz NPCCMGKEZGKDIP-AGIUHOORSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000602711195 349704192 /nfs/dbraw/zinc/70/41/92/349704192.db2.gz PIWGAGCJJNLHNE-UHFFFAOYSA-N 1 0 225.313 2.200 20 30 BEEDRO CCC[N@H+](C[C@@H](C)CCC#N)[C@@H]1CCN(C)C1 ZINC000602700676 349696313 /nfs/dbraw/zinc/69/63/13/349696313.db2.gz NBMCLNGCAKHDKF-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CCc1ccc(C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602701697 349697473 /nfs/dbraw/zinc/69/74/73/349697473.db2.gz XABWHMNKLIMXOO-HNNXBMFYSA-N 1 0 244.338 2.411 20 30 BEEDRO COC1CC(CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602704450 349698079 /nfs/dbraw/zinc/69/80/79/349698079.db2.gz DVAFRWOZFZHADL-UHFFFAOYSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CC[C@](C)(C#N)C1)OC ZINC000602717468 349708218 /nfs/dbraw/zinc/70/82/18/349708218.db2.gz GLKCRVHARJVYMD-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562661692 323026750 /nfs/dbraw/zinc/02/67/50/323026750.db2.gz FLGPMTZCNQPKBO-HTOAHKCRSA-N 1 0 239.359 2.266 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)COCC1CC1 ZINC000602713581 349705488 /nfs/dbraw/zinc/70/54/88/349705488.db2.gz WBJBFEHSDVRVKK-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CC[C@H](c2ccccc2)C1 ZINC000302474997 344019449 /nfs/dbraw/zinc/01/94/49/344019449.db2.gz XYLPYYCEDDLXAS-UONOGXRCSA-N 1 0 245.322 2.204 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000602717661 349708034 /nfs/dbraw/zinc/70/80/34/349708034.db2.gz LYYPKHIFBFJMAG-UPJWGTAASA-N 1 0 224.348 2.426 20 30 BEEDRO CN(Cc1ccc(C#N)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245246 1172018594 /nfs/dbraw/zinc/01/85/94/1172018594.db2.gz BJTPQKKLVIUPSK-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000602737471 349722006 /nfs/dbraw/zinc/72/20/06/349722006.db2.gz VZJPDUGIMHFISC-WISYIIOYSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000602719656 349712595 /nfs/dbraw/zinc/71/25/95/349712595.db2.gz RCIGXHCLMQCWNB-MQYQWHSLSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCOC1(C)C ZINC000602720823 349713008 /nfs/dbraw/zinc/71/30/08/349713008.db2.gz DYMHJVSHFZUQMW-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1nccn1C ZINC000602721725 349713369 /nfs/dbraw/zinc/71/33/69/349713369.db2.gz KCEDBAGKVOZEJM-QWRGUYRKSA-N 1 0 220.320 2.011 20 30 BEEDRO CC(C)CC[C@@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602724516 349714351 /nfs/dbraw/zinc/71/43/51/349714351.db2.gz UYDHNSBNTWMXOD-OLZOCXBDSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602724612 349714355 /nfs/dbraw/zinc/71/43/55/349714355.db2.gz INRBTVQNSCOLEZ-OXPXWGEWSA-N 1 0 236.359 2.470 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000602726196 349715917 /nfs/dbraw/zinc/71/59/17/349715917.db2.gz WCXMFWHQIIAJFJ-RAIGVLPGSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000584028112 342986348 /nfs/dbraw/zinc/98/63/48/342986348.db2.gz UOGAZHVCHDNOSN-FRRDWIJNSA-N 1 0 238.375 2.282 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000602727513 349716377 /nfs/dbraw/zinc/71/63/77/349716377.db2.gz VSTZFDAPISFECQ-BNDIWNMDSA-N 1 0 224.348 2.328 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@H](C(F)F)C2)CC1 ZINC000602795792 349737753 /nfs/dbraw/zinc/73/77/53/349737753.db2.gz CHIGJLVYDDUBCJ-VIFPVBQESA-N 1 0 214.259 2.267 20 30 BEEDRO C[C@]1(CCCO)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799158 349740132 /nfs/dbraw/zinc/74/01/32/349740132.db2.gz SDSFNNFYEWOWCT-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000248622998 323028647 /nfs/dbraw/zinc/02/86/47/323028647.db2.gz MPDHVJOIFYCTTR-UPJWGTAASA-N 1 0 238.375 2.140 20 30 BEEDRO C[N@H+](C[C@H]1CCCC[C@@H]1O)CC1(CC#N)CC1 ZINC000602802368 349742746 /nfs/dbraw/zinc/74/27/46/349742746.db2.gz QGTMZESYMVHIEK-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1OCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000602805335 349743763 /nfs/dbraw/zinc/74/37/63/349743763.db2.gz JLMRFXKVFPVZNC-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO CCC[N@H+](C)C[C@@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602779830 349746246 /nfs/dbraw/zinc/74/62/46/349746246.db2.gz SIDCVNFFMOUWPC-AWEZNQCLSA-N 1 0 249.402 2.344 20 30 BEEDRO CCC[N@H+](CC(C)(C)O)CC1(CC#N)CC1 ZINC000602771905 349725989 /nfs/dbraw/zinc/72/59/89/349725989.db2.gz IRSGYSGPNKZXEY-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](C[C@H]1CCOC1)CC1(CC#N)CC1 ZINC000602764731 349734533 /nfs/dbraw/zinc/73/45/33/349734533.db2.gz HTPYHLCZMBGSSC-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000308965752 259340695 /nfs/dbraw/zinc/34/06/95/259340695.db2.gz MHVLCMZGNGZNIJ-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)CC1(CC#N)CC1 ZINC000602783664 349748104 /nfs/dbraw/zinc/74/81/04/349748104.db2.gz KASTZHLXMFPGRD-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)C[C@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602782848 349748145 /nfs/dbraw/zinc/74/81/45/349748145.db2.gz AREHDTIWAVKUPU-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO CCOC[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602788815 349751610 /nfs/dbraw/zinc/75/16/10/349751610.db2.gz VKBDZJFXLCEPHO-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCO1 ZINC000602809896 349754289 /nfs/dbraw/zinc/75/42/89/349754289.db2.gz JEOTWGZOIBVKPA-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CO)c2ccsc2)CC1 ZINC000602811688 349755555 /nfs/dbraw/zinc/75/55/55/349755555.db2.gz NMDWXQOKMQVHIB-NSHDSACASA-N 1 0 236.340 2.065 20 30 BEEDRO CC(C)[N@H+](CC1(CC#N)CC1)[C@@H]1CCOC1 ZINC000602836027 349775142 /nfs/dbraw/zinc/77/51/42/349775142.db2.gz CVUYMVFGBUNRJA-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000602835330 349775680 /nfs/dbraw/zinc/77/56/80/349775680.db2.gz AQZQGHLJFIUOIK-AWEZNQCLSA-N 1 0 248.370 2.429 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000602837500 349776275 /nfs/dbraw/zinc/77/62/75/349776275.db2.gz ODQOLNSTHIHKTJ-AWEZNQCLSA-N 1 0 234.343 2.183 20 30 BEEDRO C[C@H]1CN(c2ccc(C#N)cc2F)C[C@H](C)[NH+]1C ZINC000135265075 344024386 /nfs/dbraw/zinc/02/43/86/344024386.db2.gz DSWCTMRHDIJPOW-QWRGUYRKSA-N 1 0 247.317 2.226 20 30 BEEDRO N#CCC1(C[NH2+][C@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000602841197 349779599 /nfs/dbraw/zinc/77/95/99/349779599.db2.gz NKJMXRKSOBEDFP-KBPBESRZSA-N 1 0 248.370 2.067 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000602845001 349782298 /nfs/dbraw/zinc/78/22/98/349782298.db2.gz XAHOVXAQOGZTDK-YPMHNXCESA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)C2(CCC2)CO1 ZINC000602861555 349772306 /nfs/dbraw/zinc/77/23/06/349772306.db2.gz BOVACOVZRNPVOB-LBPRGKRZSA-N 1 0 234.343 2.324 20 30 BEEDRO C[C@H]1C[NH+](CC2CCCC2)C[C@H](C)N1CC#N ZINC000602854771 349788275 /nfs/dbraw/zinc/78/82/75/349788275.db2.gz RMOYZIZFZLTOKI-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682267 136264436 /nfs/dbraw/zinc/26/44/36/136264436.db2.gz OXHBCGQGMJKUHF-VHSXEESVSA-N 1 0 237.265 2.055 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000352466076 136263845 /nfs/dbraw/zinc/26/38/45/136263845.db2.gz UEYVLMGYMBFEQE-CQSZACIVSA-N 1 0 249.354 2.358 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2=CCCC2)C[C@H](C)N1CC#N ZINC000602850190 349785391 /nfs/dbraw/zinc/78/53/91/349785391.db2.gz PKDGCGWEDKCCPH-BETUJISGSA-N 1 0 233.359 2.015 20 30 BEEDRO CC(C)=CCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851764 349786166 /nfs/dbraw/zinc/78/61/66/349786166.db2.gz XPDRUVFYMGYZPE-ZIAGYGMSSA-N 1 0 235.375 2.261 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2CC(C)(C)C2)C[C@H](C)N1CC#N ZINC000602851406 349786467 /nfs/dbraw/zinc/78/64/67/349786467.db2.gz VXDCGLNGALVESG-BETUJISGSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@@H]1C[NH+](CCCC2CCC2)C[C@@H](C)N1CC#N ZINC000602851903 349786693 /nfs/dbraw/zinc/78/66/93/349786693.db2.gz YCIZTKPFGCWTCV-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCCCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176929077 187227983 /nfs/dbraw/zinc/22/79/83/187227983.db2.gz ADANDBAYIDHWBU-UHFFFAOYSA-N 1 0 247.342 2.438 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cnccn1 ZINC000177241968 346924115 /nfs/dbraw/zinc/92/41/15/346924115.db2.gz CSAVAPCEHBQALW-UHFFFAOYSA-N 1 0 232.331 2.238 20 30 BEEDRO CC[C@H](CC#N)N(CC[NH3+])Cc1ccccc1 ZINC000234030021 343066135 /nfs/dbraw/zinc/06/61/35/343066135.db2.gz VYSUABBNYQIATG-CQSZACIVSA-N 1 0 231.343 2.140 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CCC(=O)NC1)c1ccco1 ZINC000353406016 136265438 /nfs/dbraw/zinc/26/54/38/136265438.db2.gz SZYNRHFCEGQDCX-RYUDHWBXSA-N 1 0 248.326 2.155 20 30 BEEDRO COCC[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000087608578 536834049 /nfs/dbraw/zinc/83/40/49/536834049.db2.gz YSCKBKVQZZTWNC-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1ccc(Cl)cc1C#N ZINC000168334442 136267822 /nfs/dbraw/zinc/26/78/22/136267822.db2.gz CVIZQYIYEUCWJL-SECBINFHSA-N 1 0 237.734 2.479 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000348213673 187231990 /nfs/dbraw/zinc/23/19/90/187231990.db2.gz AANKOBYHRKUZKU-QWRGUYRKSA-N 1 0 222.238 2.301 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)C=C2CCC2)CC1 ZINC000087318147 343119355 /nfs/dbraw/zinc/11/93/55/343119355.db2.gz KZJXKQZMFMEVNM-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000305067984 136269700 /nfs/dbraw/zinc/26/97/00/136269700.db2.gz IJSDNDZVYCTJQG-ZDUSSCGKSA-N 1 0 211.349 2.434 20 30 BEEDRO C#CC[C@H]([NH2+]CCCC(=O)OC)c1ccccc1 ZINC000271681587 187236345 /nfs/dbraw/zinc/23/63/45/187236345.db2.gz IKSGPGXJSCDYGH-AWEZNQCLSA-N 1 0 245.322 2.294 20 30 BEEDRO C#CCC[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000271841408 187237198 /nfs/dbraw/zinc/23/71/98/187237198.db2.gz ZHXRVFLFHVXCEO-ZDUSSCGKSA-N 1 0 239.265 2.265 20 30 BEEDRO C[C@H]1CCCC[C@H]1[NH2+]CCOCCC#N ZINC000339085364 136271265 /nfs/dbraw/zinc/27/12/65/136271265.db2.gz GIPJOERPCZEDHT-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(N(C)C(C)C)nc1 ZINC000276793201 187238982 /nfs/dbraw/zinc/23/89/82/187238982.db2.gz UAHBKIAATTZHSJ-UHFFFAOYSA-N 1 0 245.370 2.381 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000402822859 343132427 /nfs/dbraw/zinc/13/24/27/343132427.db2.gz ICLRNUMJICFVCC-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CC[NH+]1CCC(c2ncc(C)s2)CC1 ZINC000277433603 187239217 /nfs/dbraw/zinc/23/92/17/187239217.db2.gz NCPOQMDERCVTIY-UHFFFAOYSA-N 1 0 220.341 2.264 20 30 BEEDRO C=CC[C@@H]1[N@@H+](CCn2cncn2)CCCC1(C)C ZINC000277647073 187239910 /nfs/dbraw/zinc/23/99/10/187239910.db2.gz COGGEICHXNMGRY-ZDUSSCGKSA-N 1 0 248.374 2.345 20 30 BEEDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576954815 365730782 /nfs/dbraw/zinc/73/07/82/365730782.db2.gz XXDWTXSHPCAZPW-LLVKDONJSA-N 1 0 247.367 2.281 20 30 BEEDRO C[C@@](O)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185849600 136275320 /nfs/dbraw/zinc/27/53/20/136275320.db2.gz XZUCPRZPRAYPEP-OUCADQQQSA-N 1 0 248.326 2.159 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000336757802 136275595 /nfs/dbraw/zinc/27/55/95/136275595.db2.gz JLVKLPQIBZYRDQ-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000165242744 343210998 /nfs/dbraw/zinc/21/09/98/343210998.db2.gz OKPGTBIOLLTVGE-ZDUSSCGKSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(Cl)o1 ZINC000308929735 136274271 /nfs/dbraw/zinc/27/42/71/136274271.db2.gz LSZRNFLBGGMQMU-SECBINFHSA-N 1 0 229.707 2.207 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271525416 136282414 /nfs/dbraw/zinc/28/24/14/136282414.db2.gz VRBALCQLSNRCDZ-VXGBXAGGSA-N 1 0 248.326 2.102 20 30 BEEDRO CC(=O)Nc1ccccc1C[NH2+]CCCC#N ZINC000273023453 136282987 /nfs/dbraw/zinc/28/29/87/136282987.db2.gz DYVLUKNOHIRJFO-UHFFFAOYSA-N 1 0 231.299 2.038 20 30 BEEDRO CCOC(=O)CC(C)(C)CC[NH2+][C@@H](C)CC#N ZINC000602871431 349802642 /nfs/dbraw/zinc/80/26/42/349802642.db2.gz RBQVQAYBCZKLDH-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339012281 136279737 /nfs/dbraw/zinc/27/97/37/136279737.db2.gz JIPZDTCWVUWAOR-ILXRZTDVSA-N 1 0 249.402 2.342 20 30 BEEDRO COC[C@H]([NH2+]CCc1cccc(C#N)c1)C(C)C ZINC000343514707 343252305 /nfs/dbraw/zinc/25/23/05/343252305.db2.gz PNXKGQCPXHBTSG-HNNXBMFYSA-N 1 0 246.354 2.361 20 30 BEEDRO CC#CCN(C)Cc1ccnc(Cl)c1 ZINC000293285523 136289422 /nfs/dbraw/zinc/28/94/22/136289422.db2.gz VRGRSSHAAUBWLV-UHFFFAOYSA-N 1 0 208.692 2.190 20 30 BEEDRO CCN(CC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000609029864 343258935 /nfs/dbraw/zinc/25/89/35/343258935.db2.gz XMNYMDHQQFBFKG-UHFFFAOYSA-N 1 0 231.343 2.094 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc[nH]c(=O)c1 ZINC000340450610 136289757 /nfs/dbraw/zinc/28/97/57/136289757.db2.gz VJTPLXGXRVXIHS-JBLDHEPKSA-N 1 0 231.299 2.130 20 30 BEEDRO C=CCCCCCN(C)C(=O)NC[C@@H]([NH3+])CC ZINC000418701132 192062476 /nfs/dbraw/zinc/06/24/76/192062476.db2.gz COIZTZUKDQDCJF-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000353626163 136291856 /nfs/dbraw/zinc/29/18/56/136291856.db2.gz XNMCAOCQOYYKCN-OLZOCXBDSA-N 1 0 234.343 2.225 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000119616867 136292026 /nfs/dbraw/zinc/29/20/26/136292026.db2.gz LMZLFKJUNSSARR-UHFFFAOYSA-N 1 0 246.354 2.189 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000274584966 136285268 /nfs/dbraw/zinc/28/52/68/136285268.db2.gz DHQIBWUMXPWFKD-KWCYVHTRSA-N 1 0 230.311 2.002 20 30 BEEDRO C=CCCCCCn1cc([C@H](C)[NH2+]C)nn1 ZINC000641044085 362152857 /nfs/dbraw/zinc/15/28/57/362152857.db2.gz FRNJGNGKEAALSG-NSHDSACASA-N 1 0 222.336 2.305 20 30 BEEDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CCCCC#N ZINC000284273265 136287254 /nfs/dbraw/zinc/28/72/54/136287254.db2.gz WYTWSPKTQQYSCC-CYBMUJFWSA-N 1 0 234.347 2.191 20 30 BEEDRO CC[N@H+]1[C@H](C)CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC000602872938 349804311 /nfs/dbraw/zinc/80/43/11/349804311.db2.gz DRHVNKXUIJJJMU-XJFOESAGSA-N 1 0 235.375 2.093 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(OC)nc1 ZINC000070592373 343333906 /nfs/dbraw/zinc/33/39/06/343333906.db2.gz LJBWSFFFWOHLTB-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CCCC[NH2+][C@@H](CO)c1ccccc1 ZINC000070592389 343333947 /nfs/dbraw/zinc/33/39/47/343333947.db2.gz WMXPQTWCQQXUQJ-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1COc2ccccc21 ZINC000348773909 136298296 /nfs/dbraw/zinc/29/82/96/136298296.db2.gz JRZKSXSBXAIMPQ-YPMHNXCESA-N 1 0 242.322 2.444 20 30 BEEDRO CCC[N@@H+]1CCC[C@@H]1CNc1ncccc1C#N ZINC000343973389 343317821 /nfs/dbraw/zinc/31/78/21/343317821.db2.gz QUCLFBKLZLTBOW-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C#N)cc1C ZINC000165456107 343353106 /nfs/dbraw/zinc/35/31/06/343353106.db2.gz BWPGEGKIMBFPGG-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO C[C@@H]1CN(CC2(C#N)CC2)CCC1(F)F ZINC000335673494 136317232 /nfs/dbraw/zinc/31/72/32/136317232.db2.gz LMEITMFFMNJZPJ-SECBINFHSA-N 1 0 214.259 2.267 20 30 BEEDRO C=C(C)CCn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641069054 362180870 /nfs/dbraw/zinc/18/08/70/362180870.db2.gz CQYKFAKOMNXGDI-NSHDSACASA-N 1 0 222.336 2.290 20 30 BEEDRO C=C(C)CCn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641069847 362181742 /nfs/dbraw/zinc/18/17/42/362181742.db2.gz PSVHGJTWQUBOHP-UHFFFAOYSA-N 1 0 242.326 2.370 20 30 BEEDRO C=C(C)CCn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641070045 362183064 /nfs/dbraw/zinc/18/30/64/362183064.db2.gz UQMSLMJPBBBUEP-AWEZNQCLSA-N 1 0 242.326 2.292 20 30 BEEDRO CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1cccc(C#N)c1 ZINC000344596216 343422116 /nfs/dbraw/zinc/42/21/16/343422116.db2.gz AUAZVHLVHDIHOB-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631109944 343422270 /nfs/dbraw/zinc/42/22/70/343422270.db2.gz INIPVOVUSXHEOA-UHFFFAOYSA-N 1 0 242.269 2.311 20 30 BEEDRO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621381598 343395926 /nfs/dbraw/zinc/39/59/26/343395926.db2.gz XLASWPHBVZHFSF-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CCC[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000299210782 343398554 /nfs/dbraw/zinc/39/85/54/343398554.db2.gz CGRSNFJSSMENJN-UHFFFAOYSA-N 1 0 231.295 2.261 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000299218976 343398583 /nfs/dbraw/zinc/39/85/83/343398583.db2.gz JEDOSSYLVYFJFV-ZDUSSCGKSA-N 1 0 202.301 2.185 20 30 BEEDRO CC(C)(C)C[N@H+](CCO)CCCCC#N ZINC000609317319 343414609 /nfs/dbraw/zinc/41/46/09/343414609.db2.gz UJCKJRMPOHNDNZ-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C[C@@H]1[C@H](C)N(Cc2cc(C#N)cs2)CC[N@H+]1C ZINC000335680499 136328469 /nfs/dbraw/zinc/32/84/69/136328469.db2.gz VDFJHKBWOXGRLP-MNOVXSKESA-N 1 0 249.383 2.144 20 30 BEEDRO CN(CC[N@H+](C)CC(C)(C)CCC#N)C1CC1 ZINC000349358205 136343317 /nfs/dbraw/zinc/34/33/17/136343317.db2.gz XUCHKUPTTUMCTO-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)Cc1cc(C#N)cs1 ZINC000349366623 136343338 /nfs/dbraw/zinc/34/33/38/136343338.db2.gz JYPICPSKFTVLIV-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@H](CO)[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000335720435 136345635 /nfs/dbraw/zinc/34/56/35/136345635.db2.gz SWYCSMFQZCMABT-ABAIWWIYSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+](C2CCC2)C1 ZINC000335723445 136346578 /nfs/dbraw/zinc/34/65/78/136346578.db2.gz YUYVYNLXTUHPKA-CYBMUJFWSA-N 1 0 247.386 2.096 20 30 BEEDRO CC#CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000166300500 136332025 /nfs/dbraw/zinc/33/20/25/136332025.db2.gz LASSVPYAIAMECQ-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCOCC1 ZINC000165475458 343435014 /nfs/dbraw/zinc/43/50/14/343435014.db2.gz PHFFARRNIFHYBM-UHFFFAOYSA-N 1 0 230.311 2.089 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1(C)C ZINC000349310913 136340910 /nfs/dbraw/zinc/34/09/10/136340910.db2.gz IJEDNPTWEJVAHY-NRWUCQMLSA-N 1 0 236.359 2.472 20 30 BEEDRO CC#CCCN1CCn2c(C(C)C)nnc2[C@@H]1C ZINC000189571874 136372125 /nfs/dbraw/zinc/37/21/25/136372125.db2.gz BFKZAZSWDNOYAO-LBPRGKRZSA-N 1 0 246.358 2.192 20 30 BEEDRO Cc1cc(CN2CC[N@@H+](C)C[C@H]2C)ccc1C#N ZINC000335863663 344033126 /nfs/dbraw/zinc/03/31/26/344033126.db2.gz LHXMPSOJXFEYKL-CYBMUJFWSA-N 1 0 243.354 2.003 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC2CCCCCCC2)N1 ZINC000262672525 136374785 /nfs/dbraw/zinc/37/47/85/136374785.db2.gz RVLBVGHOPHCOTM-LLVKDONJSA-N 1 0 223.364 2.284 20 30 BEEDRO C[C@@H]1C[C@@H](CNC(=[NH2+])Nc2ccccc2)CCO1 ZINC000271240769 136375114 /nfs/dbraw/zinc/37/51/14/136375114.db2.gz DIFIMMJLWWLTFY-NEPJUHHUSA-N 1 0 247.342 2.228 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1 ZINC000289914532 136375597 /nfs/dbraw/zinc/37/55/97/136375597.db2.gz RXJYCKZTSQZZLI-RAIGVLPGSA-N 1 0 209.333 2.115 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H](c2ccccc2)C1 ZINC000053386746 1172029008 /nfs/dbraw/zinc/02/90/08/1172029008.db2.gz MXFGOUQYXHXBNR-HNNXBMFYSA-N 1 0 230.355 2.252 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000310383723 343467950 /nfs/dbraw/zinc/46/79/50/343467950.db2.gz JPTIZKDPIPTBJZ-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO CCC#C[C@@H](C)[NH2+]CC(CC)(CC)C(=O)OC ZINC000619166364 343468647 /nfs/dbraw/zinc/46/86/47/343468647.db2.gz BAQUVIVLKZMEAT-GFCCVEGCSA-N 1 0 239.359 2.357 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000082945577 343472953 /nfs/dbraw/zinc/47/29/53/343472953.db2.gz UPMDNXXFHWJTNL-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000570102834 323049926 /nfs/dbraw/zinc/04/99/26/323049926.db2.gz BCXJLQLQXNPLIA-XQQFMLRXSA-N 1 0 238.375 2.317 20 30 BEEDRO Cn1cc(C[NH+]2C3CCC2CC3)cc1C#N ZINC000616725810 343553440 /nfs/dbraw/zinc/55/34/40/343553440.db2.gz VIEAKWNUCGKMRO-UHFFFAOYSA-N 1 0 215.300 2.024 20 30 BEEDRO CCCN(C)CC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000602903157 349817510 /nfs/dbraw/zinc/81/75/10/349817510.db2.gz BWYTUGLGWXYKSR-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO CCC1([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000379733733 343606301 /nfs/dbraw/zinc/60/63/01/343606301.db2.gz AOJRCTOKRJTBSI-UHFFFAOYSA-N 1 0 207.302 2.047 20 30 BEEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)[C@H](CO)C1 ZINC000602932419 349823258 /nfs/dbraw/zinc/82/32/58/349823258.db2.gz XFLJTXSJIJPMCF-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(OCC)C1)C(C)(C)C ZINC000379999267 365791013 /nfs/dbraw/zinc/79/10/13/365791013.db2.gz LQGFXBQLIKMNNL-MCIGGMRASA-N 1 0 209.333 2.191 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)Nc1ccccc1 ZINC000574888446 343631470 /nfs/dbraw/zinc/63/14/70/343631470.db2.gz XPOXDIYSSYTREQ-LBPRGKRZSA-N 1 0 245.326 2.297 20 30 BEEDRO C[N@H+](CCC[C@@H]1CCOC1)[C@H]1CCC[C@@H]1C#N ZINC000602981780 349832422 /nfs/dbraw/zinc/83/24/22/349832422.db2.gz JMZMKAUDCPIHGN-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](C[C@H](O)C(C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000602981838 349832724 /nfs/dbraw/zinc/83/27/24/349832724.db2.gz KEPUWFUFINGEFM-WOPDTQHZSA-N 1 0 224.348 2.017 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@@H](C)c1ccc(C)cc1 ZINC000047960140 343675228 /nfs/dbraw/zinc/67/52/28/343675228.db2.gz LJDQOBPFNVZURJ-ZDUSSCGKSA-N 1 0 246.354 2.290 20 30 BEEDRO COC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595145 343653959 /nfs/dbraw/zinc/65/39/59/343653959.db2.gz HOBCMCMRROIKRT-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]1CC1(CC#N)CC1 ZINC000083862380 343679520 /nfs/dbraw/zinc/67/95/20/343679520.db2.gz IUTOIDGWYJHKBR-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO C[N@H+](CC1(CC#N)CC1)[C@@H]1CCSC1 ZINC000083862291 343679585 /nfs/dbraw/zinc/67/95/85/343679585.db2.gz WPFGRGHGJVRZGP-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668214693 488228630 /nfs/dbraw/zinc/22/86/30/488228630.db2.gz KBUZLHHWFPIHLA-NWDGAFQWSA-N 1 0 209.333 2.356 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000379982457 343663248 /nfs/dbraw/zinc/66/32/48/343663248.db2.gz IFUCCNUUYKXCMU-MNOVXSKESA-N 1 0 204.273 2.370 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000157171521 166192123 /nfs/dbraw/zinc/19/21/23/166192123.db2.gz JOGSKYFCCCIFBG-LLVKDONJSA-N 1 0 233.311 2.296 20 30 BEEDRO COCCCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978948 349843134 /nfs/dbraw/zinc/84/31/34/349843134.db2.gz ZBPLUDFDDIOXAZ-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339402150 343699452 /nfs/dbraw/zinc/69/94/52/343699452.db2.gz RDOFDOOSKIQILG-LBPRGKRZSA-N 1 0 225.719 2.285 20 30 BEEDRO C=CCCC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339723193 343702573 /nfs/dbraw/zinc/70/25/73/343702573.db2.gz CJRTVGSBHJTIDZ-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000320255131 192064511 /nfs/dbraw/zinc/06/45/11/192064511.db2.gz IYEROPAOBATSJY-ZDUSSCGKSA-N 1 0 235.327 2.030 20 30 BEEDRO CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602979581 349844282 /nfs/dbraw/zinc/84/42/82/349844282.db2.gz GCGRQPMOHSDNOW-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@@H]1CCC[C@H]1C#N ZINC000602980692 349846087 /nfs/dbraw/zinc/84/60/87/349846087.db2.gz TZEVJTZTFHMHAR-UONOGXRCSA-N 1 0 229.327 2.248 20 30 BEEDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCCC#N ZINC000178649789 346961295 /nfs/dbraw/zinc/96/12/95/346961295.db2.gz YWHSMMWTWZJGND-LBPRGKRZSA-N 1 0 232.331 2.081 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1nccc(C)c1C#N ZINC000135073724 343731787 /nfs/dbraw/zinc/73/17/87/343731787.db2.gz BLSOFUFBMHVQAJ-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCCn2nccc21 ZINC000603030191 349860086 /nfs/dbraw/zinc/86/00/86/349860086.db2.gz SMRNGIQRNRKQIM-NSHDSACASA-N 1 0 232.331 2.247 20 30 BEEDRO Cc1occc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309073850 349854355 /nfs/dbraw/zinc/85/43/55/349854355.db2.gz HXUXFXBAQGTTKN-PWSUYJOCSA-N 1 0 204.273 2.370 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000584133479 343764130 /nfs/dbraw/zinc/76/41/30/343764130.db2.gz XVRZSNNQODBJFH-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO CCc1nn(C)c(CC)c1C[NH2+]CCCCC#N ZINC000179084851 346972718 /nfs/dbraw/zinc/97/27/18/346972718.db2.gz VDGNWYZFIOJDDF-UHFFFAOYSA-N 1 0 248.374 2.328 20 30 BEEDRO N#CCN(C[C@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000393295926 343793232 /nfs/dbraw/zinc/79/32/32/343793232.db2.gz UULASHAFLVSSPI-OCCSQVGLSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000625700605 344040249 /nfs/dbraw/zinc/04/02/49/344040249.db2.gz CRFCMVXFHSKMRB-ZIAGYGMSSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000625699903 344039176 /nfs/dbraw/zinc/03/91/76/344039176.db2.gz DQSRDGVNKDUULL-GFCCVEGCSA-N 1 0 202.301 2.480 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000625700422 344039553 /nfs/dbraw/zinc/03/95/53/344039553.db2.gz BTMHETGVFRCZRV-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000625700196 344039605 /nfs/dbraw/zinc/03/96/05/344039605.db2.gz JRLAZFHTIBWNGA-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000625700016 344039611 /nfs/dbraw/zinc/03/96/11/344039611.db2.gz GTZFITCJGPAQAG-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000625701258 344041449 /nfs/dbraw/zinc/04/14/49/344041449.db2.gz IALJRTRISCKUDI-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cncc(OC)c2)C1 ZINC000625700987 344041065 /nfs/dbraw/zinc/04/10/65/344041065.db2.gz GCSHAEUDODWFBH-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC000625701007 344041149 /nfs/dbraw/zinc/04/11/49/344041149.db2.gz GHBYSSYMUCQTJW-ZDUSSCGKSA-N 1 0 248.374 2.395 20 30 BEEDRO C[C@H]1CCN(Cc2nc(C#N)cs2)[C@H]1C ZINC000334383673 343875837 /nfs/dbraw/zinc/87/58/37/343875837.db2.gz LDFYFIRPUVPXGF-IUCAKERBSA-N 1 0 221.329 2.245 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000334319794 343868914 /nfs/dbraw/zinc/86/89/14/343868914.db2.gz UXWXRIWURYMZLW-AWEZNQCLSA-N 1 0 244.338 2.294 20 30 BEEDRO CCC1C[NH+](Cc2cc(C#N)cs2)C1 ZINC000334522137 343890615 /nfs/dbraw/zinc/89/06/15/343890615.db2.gz JQTWSFZWCLIXIT-UHFFFAOYSA-N 1 0 206.314 2.462 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CC2CC2)cc1 ZINC000164038916 166198465 /nfs/dbraw/zinc/19/84/65/166198465.db2.gz KVULAMMCNKVLME-UHFFFAOYSA-N 1 0 215.296 2.198 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000090800591 343941571 /nfs/dbraw/zinc/94/15/71/343941571.db2.gz NKTYUAYLJMGZRC-ZSVAQUKISA-N 1 0 211.349 2.480 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CCCO1 ZINC000602578311 343917589 /nfs/dbraw/zinc/91/75/89/343917589.db2.gz CTODQDUXVRWNSQ-KGLIPLIRSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CC[N@@H+](CC(=O)NCC(C)(C)C)C(C)(C)C ZINC000625538427 343925079 /nfs/dbraw/zinc/92/50/79/343925079.db2.gz GINUYPJVMNWGKK-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000625701387 344042837 /nfs/dbraw/zinc/04/28/37/344042837.db2.gz QQYMOJQTUFOUOS-LBPRGKRZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC000625703027 344047430 /nfs/dbraw/zinc/04/74/30/344047430.db2.gz PYCUVEFXKPVRGZ-LBPRGKRZSA-N 1 0 234.347 2.004 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000625703236 344048341 /nfs/dbraw/zinc/04/83/41/344048341.db2.gz RNSBDVGYMXJQOU-MNOVXSKESA-N 1 0 231.286 2.309 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC000625703817 344048363 /nfs/dbraw/zinc/04/83/63/344048363.db2.gz SZUILGATXAKPEZ-CYBMUJFWSA-N 1 0 233.359 2.344 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OC)cn2)C1 ZINC000625703535 344048418 /nfs/dbraw/zinc/04/84/18/344048418.db2.gz LNDUSOIJHRMBPF-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000625704573 344049625 /nfs/dbraw/zinc/04/96/25/344049625.db2.gz YOPJLZCRSPWPGX-XQQFMLRXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000625704634 344049648 /nfs/dbraw/zinc/04/96/48/344049648.db2.gz ZBTNPPHBKJTLET-ZDUSSCGKSA-N 1 0 219.332 2.090 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(OC)no2)C1 ZINC000625704584 344049861 /nfs/dbraw/zinc/04/98/61/344049861.db2.gz YSLOVVUBBPHWGK-JTQLQIEISA-N 1 0 222.288 2.081 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCC(=O)NCCC)C1 ZINC000625701531 344052184 /nfs/dbraw/zinc/05/21/84/344052184.db2.gz KKYSGOQEIJGLQV-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCc2cncc(C)n2)C1 ZINC000625702063 344052669 /nfs/dbraw/zinc/05/26/69/344052669.db2.gz MSLBITBHXHNJSY-CYBMUJFWSA-N 1 0 231.343 2.226 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(C(C)C)nn2)C1 ZINC000625701694 344052702 /nfs/dbraw/zinc/05/27/02/344052702.db2.gz LOIIIMCWYYYPBK-GFCCVEGCSA-N 1 0 234.347 2.257 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCc2ccnn2CC)C1 ZINC000625701813 344052862 /nfs/dbraw/zinc/05/28/62/344052862.db2.gz LPRYZKOYMZGTIS-ZDUSSCGKSA-N 1 0 233.359 2.344 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC(F)(F)CC1 ZINC000625770777 344066338 /nfs/dbraw/zinc/06/63/38/344066338.db2.gz SLSVJXBKUZDNEK-SNVBAGLBSA-N 1 0 219.275 2.045 20 30 BEEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCCCC#N)C1 ZINC000187983317 259372595 /nfs/dbraw/zinc/37/25/95/259372595.db2.gz ARKORXRQAIXISD-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH+](C1CC1)C1CC1 ZINC000625834382 344088812 /nfs/dbraw/zinc/08/88/12/344088812.db2.gz HLFQMXLNJUYMFO-UHFFFAOYSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1CC(=O)OC ZINC000097209111 344095688 /nfs/dbraw/zinc/09/56/88/344095688.db2.gz HJQRTQYNHBYJDM-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CC(C)(C)[C@@H]([NH3+])c1cn(CC2(C#N)CCC2)nn1 ZINC000603258054 349901228 /nfs/dbraw/zinc/90/12/28/349901228.db2.gz YCIBCKDIQCAPRT-NSHDSACASA-N 1 0 247.346 2.018 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCSC(C)(C)CC1 ZINC000684003541 488254921 /nfs/dbraw/zinc/25/49/21/488254921.db2.gz UPTKPSGVYBVXCC-NSHDSACASA-N 1 0 229.389 2.141 20 30 BEEDRO Cc1ccnc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1C#N ZINC000227385850 344139186 /nfs/dbraw/zinc/13/91/86/344139186.db2.gz MLGGUPUTUZPAFV-RYUDHWBXSA-N 1 0 244.342 2.156 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000309336296 347035052 /nfs/dbraw/zinc/03/50/52/347035052.db2.gz KBWVVZPANFQYDH-CYBMUJFWSA-N 1 0 221.344 2.339 20 30 BEEDRO C=CCSCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000129362377 344213116 /nfs/dbraw/zinc/21/31/16/344213116.db2.gz QANATAYYOPHLJW-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccccn1 ZINC000129991636 344217458 /nfs/dbraw/zinc/21/74/58/344217458.db2.gz PMINSOSNAJFTRS-LLVKDONJSA-N 1 0 220.341 2.099 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cscn1 ZINC000130015944 344217803 /nfs/dbraw/zinc/21/78/03/344217803.db2.gz BMYROPZMHVVIFU-VIFPVBQESA-N 1 0 226.370 2.160 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(C#N)c1 ZINC000152919638 166202840 /nfs/dbraw/zinc/20/28/40/166202840.db2.gz QKSHOPXQJXRGBM-UHFFFAOYSA-N 1 0 230.336 2.014 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000152932741 166203106 /nfs/dbraw/zinc/20/31/06/166203106.db2.gz SPFRCYIDCWAMJI-UHFFFAOYSA-N 1 0 248.395 2.209 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000126826099 344184289 /nfs/dbraw/zinc/18/42/89/344184289.db2.gz PDFUKOMLDIOUDK-NEPJUHHUSA-N 1 0 208.349 2.167 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000126851049 344184750 /nfs/dbraw/zinc/18/47/50/344184750.db2.gz WGXGNVMRUGHCRY-RWMBFGLXSA-N 1 0 210.365 2.413 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1cscn1 ZINC000127842021 344202094 /nfs/dbraw/zinc/20/20/94/344202094.db2.gz DICGOXFWAORNFM-SECBINFHSA-N 1 0 209.318 2.488 20 30 BEEDRO COCC1([NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000573406965 344202716 /nfs/dbraw/zinc/20/27/16/344202716.db2.gz MSVYQOBDRXEDIM-UHFFFAOYSA-N 1 0 230.311 2.135 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccccc1F ZINC000152933087 166202767 /nfs/dbraw/zinc/20/27/67/166202767.db2.gz BHFXQOJYTDSNHY-UHFFFAOYSA-N 1 0 223.316 2.282 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290392110 344275085 /nfs/dbraw/zinc/27/50/85/344275085.db2.gz ORQFEPUUCQDFOL-IUCAKERBSA-N 1 0 226.345 2.251 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2ncncc2C)CC1 ZINC000641360260 362376471 /nfs/dbraw/zinc/37/64/71/362376471.db2.gz VGAFRKJUVNVELL-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000336763279 537842837 /nfs/dbraw/zinc/84/28/37/537842837.db2.gz OWXVIOPAAHGHFY-RWMBFGLXSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CCCCC[NH2+]C1(CC(=O)OC)CC1 ZINC000570806051 323070956 /nfs/dbraw/zinc/07/09/56/323070956.db2.gz WTHPXVLFECVJPH-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000600707784 344360424 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ZINC000166041472 344405062 /nfs/dbraw/zinc/40/50/62/344405062.db2.gz TXXFDCGPYGWQPZ-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000381463819 344509508 /nfs/dbraw/zinc/50/95/08/344509508.db2.gz LYYWNSMLVBRBAJ-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC[NH2+]CCc1ccc(Cl)cc1 ZINC000042207536 344445854 /nfs/dbraw/zinc/44/58/54/344445854.db2.gz JKENBKKGLCSCTG-UHFFFAOYSA-N 1 0 208.692 2.386 20 30 BEEDRO C[C@H](CCc1ccco1)[NH2+]CCCC#N ZINC000042225492 344447627 /nfs/dbraw/zinc/44/76/27/344447627.db2.gz CEPCEHBPUPLOBN-LLVKDONJSA-N 1 0 206.289 2.494 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1O ZINC000400297381 344464166 /nfs/dbraw/zinc/46/41/66/344464166.db2.gz RMESHMDRYLUJEE-HIFRSBDPSA-N 1 0 244.338 2.069 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119709131 344466784 /nfs/dbraw/zinc/46/67/84/344466784.db2.gz XPGPCXWPBTZCCS-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CCC(F)(F)CC1 ZINC000306901587 344475463 /nfs/dbraw/zinc/47/54/63/344475463.db2.gz ORMJZEWDKMCSPO-QMMMGPOBSA-N 1 0 202.248 2.314 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+][C@H](CC)CC#N)OC ZINC000381260539 344491080 /nfs/dbraw/zinc/49/10/80/344491080.db2.gz DTKSJFTWVGNFSB-UTUOFQBUSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765673 344492811 /nfs/dbraw/zinc/49/28/11/344492811.db2.gz PAQDQCQYQJSZIR-SNVBAGLBSA-N 1 0 203.289 2.184 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCO1 ZINC000310004675 344494136 /nfs/dbraw/zinc/49/41/36/344494136.db2.gz GDNGEYSKHMNQJM-FVCCEPFGSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+]CCCCC#N)OC ZINC000381320791 344495382 /nfs/dbraw/zinc/49/53/82/344495382.db2.gz WIBYJWXSLCCZLP-NEPJUHHUSA-N 1 0 212.337 2.331 20 30 BEEDRO N#CCCC[NH2+]Cc1nc2c(s1)CCCC2 ZINC000381395982 344501324 /nfs/dbraw/zinc/50/13/24/344501324.db2.gz AEHRKWAEJAGGIF-UHFFFAOYSA-N 1 0 235.356 2.415 20 30 BEEDRO Cc1csc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000381405980 344501832 /nfs/dbraw/zinc/50/18/32/344501832.db2.gz SJNHFKQCFCESMI-GHMZBOCLSA-N 1 0 235.356 2.276 20 30 BEEDRO C=CCCCCC[N@@H+]1CCO[C@@H](COCC)C1 ZINC000625953067 344591621 /nfs/dbraw/zinc/59/16/21/344591621.db2.gz HZSUAYHCOBDMOA-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO CC[N@H+](CCCCC#N)C[C@H]1CCCO1 ZINC000049579444 344654375 /nfs/dbraw/zinc/65/43/75/344654375.db2.gz WMNJOQCYQKYVQU-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625991113 344657941 /nfs/dbraw/zinc/65/79/41/344657941.db2.gz KLERSRHSJZPAFN-OCCSQVGLSA-N 1 0 248.326 2.173 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625991752 344658115 /nfs/dbraw/zinc/65/81/15/344658115.db2.gz GNDXTEHYTNRQBL-OCCSQVGLSA-N 1 0 248.326 2.173 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626006342 344664766 /nfs/dbraw/zinc/66/47/66/344664766.db2.gz WHTHKGWTVKWTPX-LBPRGKRZSA-N 1 0 215.312 2.403 20 30 BEEDRO C=CCC[C@H]([NH2+]C1CCN(C)CC1)C1CC1 ZINC000119910092 344674236 /nfs/dbraw/zinc/67/42/36/344674236.db2.gz QDJQGBQQBQWPDR-AWEZNQCLSA-N 1 0 222.376 2.415 20 30 BEEDRO COc1cccc(CNC[C@@H](C#N)CCC#N)c1 ZINC000560143941 344646083 /nfs/dbraw/zinc/64/60/83/344646083.db2.gz PGCRWRVQDUJUSB-CYBMUJFWSA-N 1 0 243.310 2.228 20 30 BEEDRO C=CCOCC[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103714 344743618 /nfs/dbraw/zinc/74/36/18/344743618.db2.gz MSXHMYJMPYUPMQ-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382009160 347066930 /nfs/dbraw/zinc/06/69/30/347066930.db2.gz LSNIJPAZSWMOQB-SJHCENCUSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CCCC[NH+]1CCC(OCCOC)CC1 ZINC000117884438 344759392 /nfs/dbraw/zinc/75/93/92/344759392.db2.gz KFCJYFNXCLHGDQ-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cn(C(C)C)nc1C ZINC000449524134 344811380 /nfs/dbraw/zinc/81/13/80/344811380.db2.gz YZYLMHXYFWTIDX-KGLIPLIRSA-N 1 0 249.358 2.206 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2ncccc2C#N)C1 ZINC000077656695 344825076 /nfs/dbraw/zinc/82/50/76/344825076.db2.gz VBWGXEDEHSIOLL-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H](c1cccnc1)[N@H+](C)CCCC#N ZINC000119800898 344865542 /nfs/dbraw/zinc/86/55/42/344865542.db2.gz QXQBANJKFUETJQ-LLVKDONJSA-N 1 0 203.289 2.378 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000153381888 187294500 /nfs/dbraw/zinc/29/45/00/187294500.db2.gz KHZUEHJEJJKZKI-UHFFFAOYSA-N 1 0 207.273 2.067 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000121241536 344917563 /nfs/dbraw/zinc/91/75/63/344917563.db2.gz FALGQLKKDFUUHZ-UHFFFAOYSA-N 1 0 216.284 2.185 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1nc(C)c(C)[nH]1 ZINC000628180219 344918315 /nfs/dbraw/zinc/91/83/15/344918315.db2.gz GPMVQJLTOYQRPS-UHFFFAOYSA-N 1 0 207.321 2.425 20 30 BEEDRO CC#CCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000376650100 344921051 /nfs/dbraw/zinc/92/10/51/344921051.db2.gz BTULNCNXZZVZTO-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C=C(Br)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000235639371 344961525 /nfs/dbraw/zinc/96/15/25/344961525.db2.gz FGSRZVMUMWXXMB-BDAKNGLRSA-N 1 0 234.137 2.052 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000235650547 344963699 /nfs/dbraw/zinc/96/36/99/344963699.db2.gz VNKQWMVNILHFLH-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338623774 534979913 /nfs/dbraw/zinc/97/99/13/534979913.db2.gz DAVHGCRDGZDEGP-ZDUSSCGKSA-N 1 0 242.338 2.113 20 30 BEEDRO CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]CCC#N ZINC000574750546 344990906 /nfs/dbraw/zinc/99/09/06/344990906.db2.gz XJQGAGZNPQADKK-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO CCCC(N)=[NH+]OCCc1ccccc1 ZINC000123246813 344990943 /nfs/dbraw/zinc/99/09/43/344990943.db2.gz MMBTUCDHXIXZON-UHFFFAOYSA-N 1 0 206.289 2.318 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000583448301 344993423 /nfs/dbraw/zinc/99/34/23/344993423.db2.gz VVWVNWBKLXXLIO-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)(C#N)CCC[NH+]1CCN(C2CC2)CC1 ZINC000087608561 534982939 /nfs/dbraw/zinc/98/29/39/534982939.db2.gz XDKGRSFPZZBBBG-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C(Cl)C[NH2+]C1Cc2ccccc2C1 ZINC000159057916 187298085 /nfs/dbraw/zinc/29/80/85/187298085.db2.gz USYBGNBUJLDDQE-UHFFFAOYSA-N 1 0 207.704 2.496 20 30 BEEDRO C#C[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000289571413 166211396 /nfs/dbraw/zinc/21/13/96/166211396.db2.gz SMLUPTBGXYJMPL-LLVKDONJSA-N 1 0 213.280 2.074 20 30 BEEDRO C=C(C)CN1CCC([NH2+]Cc2ccn(C)c2)CC1 ZINC000125165503 345068390 /nfs/dbraw/zinc/06/83/90/345068390.db2.gz FFRINRMIORBCPE-UHFFFAOYSA-N 1 0 247.386 2.155 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000155139702 345068714 /nfs/dbraw/zinc/06/87/14/345068714.db2.gz UBPUFOZHSPTLCI-GFCCVEGCSA-N 1 0 217.316 2.003 20 30 BEEDRO CC(C)(C#N)CCN1CC[NH+](C2CCCC2)CC1 ZINC000087595530 534985730 /nfs/dbraw/zinc/98/57/30/534985730.db2.gz SMWAWNGFFLYCMF-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO Cc1cc(C)c(C#N)c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000044493239 345095740 /nfs/dbraw/zinc/09/57/40/345095740.db2.gz PWZZHIKVKRUUQM-LBPRGKRZSA-N 1 0 244.342 2.124 20 30 BEEDRO C[NH+]1CCC(CNc2ccc(C#N)cc2)CC1 ZINC000044526312 345106191 /nfs/dbraw/zinc/10/61/91/345106191.db2.gz PZFSAGZNKAXDBW-UHFFFAOYSA-N 1 0 229.327 2.312 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000336138854 534988177 /nfs/dbraw/zinc/98/81/77/534988177.db2.gz NURUXPQXJBSSIG-LBPRGKRZSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCN(Cc1ccccc1)CC12CC(C1)C[NH2+]2 ZINC000634992622 345180853 /nfs/dbraw/zinc/18/08/53/345180853.db2.gz WBSGHRIADZJVMD-UHFFFAOYSA-N 1 0 242.366 2.427 20 30 BEEDRO C=CCCCCCN(C)CC12CC(C1)C[NH2+]2 ZINC000634992922 345188270 /nfs/dbraw/zinc/18/82/70/345188270.db2.gz FXOOYBOZAQLSGR-UHFFFAOYSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000531120364 345159461 /nfs/dbraw/zinc/15/94/61/345159461.db2.gz FRLBCIKOFOHHBE-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC(C)(C)C1 ZINC000087595182 534989265 /nfs/dbraw/zinc/98/92/65/534989265.db2.gz NMTYCTBRXMXYLJ-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000289341793 345247963 /nfs/dbraw/zinc/24/79/63/345247963.db2.gz HYJNPKGVFIAMMO-LLVKDONJSA-N 1 0 203.285 2.120 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCOC1 ZINC000158493029 345340128 /nfs/dbraw/zinc/34/01/28/345340128.db2.gz FMHRZVAHMSEKST-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO COC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000381748782 345351783 /nfs/dbraw/zinc/35/17/83/345351783.db2.gz QPCWRYYWKSMCRG-UPJWGTAASA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(Cl)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158851940 345380667 /nfs/dbraw/zinc/38/06/67/345380667.db2.gz RSMQSPCFERATPQ-RYUDHWBXSA-N 1 0 228.767 2.155 20 30 BEEDRO CCc1nc(CO[NH+]=C(N)C(C)C)cs1 ZINC000133630386 345381188 /nfs/dbraw/zinc/38/11/88/345381188.db2.gz YKTHMPYSPVZNGX-UHFFFAOYSA-N 1 0 227.333 2.150 20 30 BEEDRO C=C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635503341 345403792 /nfs/dbraw/zinc/40/37/92/345403792.db2.gz KKEQKILMCBSOMH-UHFFFAOYSA-N 1 0 248.370 2.041 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635504327 345404370 /nfs/dbraw/zinc/40/43/70/345404370.db2.gz VIIFTPGTLUDWGH-AWEZNQCLSA-N 1 0 248.370 2.182 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000159186824 345413998 /nfs/dbraw/zinc/41/39/98/345413998.db2.gz HGCAFOJAZCOPDQ-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO CC(C)(C#N)N1CCC(C[NH+]2CCCC2)CC1 ZINC000160589239 345496183 /nfs/dbraw/zinc/49/61/83/345496183.db2.gz ZZHFQYNZBOZMKT-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000159751976 345511386 /nfs/dbraw/zinc/51/13/86/345511386.db2.gz NVYUPTCNIGQQKZ-SECBINFHSA-N 1 0 237.299 2.074 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C(F)F ZINC000449168243 201827274 /nfs/dbraw/zinc/82/72/74/201827274.db2.gz CWURCEMVHOLDHO-VHSXEESVSA-N 1 0 221.291 2.337 20 30 BEEDRO C[NH+](C)CCNc1ccc2cc(C#N)ccc2n1 ZINC000090998103 345578862 /nfs/dbraw/zinc/57/88/62/345578862.db2.gz OFQLZTJHDBKFAX-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000449180208 201831236 /nfs/dbraw/zinc/83/12/36/201831236.db2.gz YVEWSJFNNQZLIJ-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449185858 201831777 /nfs/dbraw/zinc/83/17/77/201831777.db2.gz JVVRTKMNVCQZCF-LBPRGKRZSA-N 1 0 223.316 2.393 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ncccc2F)CC1 ZINC000084486198 345514826 /nfs/dbraw/zinc/51/48/26/345514826.db2.gz OVRFPSCSKWXSNZ-UHFFFAOYSA-N 1 0 235.306 2.283 20 30 BEEDRO C[C@H]1CSCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000070219801 345518383 /nfs/dbraw/zinc/51/83/83/345518383.db2.gz XNFMCXDKBGFFBI-NSHDSACASA-N 1 0 232.352 2.496 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000091575602 345598087 /nfs/dbraw/zinc/59/80/87/345598087.db2.gz HGLMUAORMLOGON-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000091702639 345603644 /nfs/dbraw/zinc/60/36/44/345603644.db2.gz GQJKYXPHKFIERA-CHWSQXEVSA-N 1 0 234.343 2.402 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cnccc2C#N)C1 ZINC000091733659 345604267 /nfs/dbraw/zinc/60/42/67/345604267.db2.gz VZLVGMFEMVUCIN-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO CC[N@@H+]1CCN(Cc2ccc(C#N)s2)[C@H](C)C1 ZINC000289938832 345613989 /nfs/dbraw/zinc/61/39/89/345613989.db2.gz YEDQYPFBDHSYGK-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)o1 ZINC000378827993 345626973 /nfs/dbraw/zinc/62/69/73/345626973.db2.gz QHDLPKZAXSLDCK-GWCFXTLKSA-N 1 0 216.284 2.287 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000313495675 323091967 /nfs/dbraw/zinc/09/19/67/323091967.db2.gz YAAPXKXRCZPQJH-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO CCC1(CO)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093591797 345662625 /nfs/dbraw/zinc/66/26/25/345662625.db2.gz FXSXEUFXUKFOCK-UHFFFAOYSA-N 1 0 248.326 2.136 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000082668617 345664159 /nfs/dbraw/zinc/66/41/59/345664159.db2.gz GCQRWGLIGNZMAQ-ZWNOBZJWSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000082668616 345664225 /nfs/dbraw/zinc/66/42/25/345664225.db2.gz GCQRWGLIGNZMAQ-GWCFXTLKSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000082668556 345664648 /nfs/dbraw/zinc/66/46/48/345664648.db2.gz QUZOKPZSOZTFJB-WDEREUQCSA-N 1 0 217.316 2.477 20 30 BEEDRO C#CC[N@@H+](Cc1ccn(C)c1)C1CCCC1 ZINC000093819760 345665252 /nfs/dbraw/zinc/66/52/52/345665252.db2.gz BECXUTVNSCWTPS-UHFFFAOYSA-N 1 0 216.328 2.403 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000168184980 535007417 /nfs/dbraw/zinc/00/74/17/535007417.db2.gz BTZBVICFQWGRTB-GHMZBOCLSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1nc(C#N)cs1 ZINC000352901317 535005732 /nfs/dbraw/zinc/00/57/32/535005732.db2.gz RBTBURQMSGPCST-UHFFFAOYSA-N 1 0 248.355 2.434 20 30 BEEDRO C=CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000070591701 345790085 /nfs/dbraw/zinc/79/00/85/345790085.db2.gz ORAPLGAEWVCRCA-UHFFFAOYSA-N 1 0 206.245 2.261 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000290103959 345844803 /nfs/dbraw/zinc/84/48/03/345844803.db2.gz KOIQUQUSTJKWFM-NSHDSACASA-N 1 0 204.273 2.429 20 30 BEEDRO CCCCCCCC(=O)N(C)CC[NH+](C)C ZINC000177686154 345909408 /nfs/dbraw/zinc/90/94/08/345909408.db2.gz WQWRBENTNBLMLQ-UHFFFAOYSA-N 1 0 228.380 2.367 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000400934299 345923531 /nfs/dbraw/zinc/92/35/31/345923531.db2.gz PVLSFBNFQYIFIJ-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)[C@H](NCCCC#N)C(=O)OC(C)(C)C ZINC000184314292 345942896 /nfs/dbraw/zinc/94/28/96/345942896.db2.gz SKJMEMWVANQHEV-NSHDSACASA-N 1 0 240.347 2.246 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000400951764 345943678 /nfs/dbraw/zinc/94/36/78/345943678.db2.gz XXELHMIGQGESDD-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000449324903 201868032 /nfs/dbraw/zinc/86/80/32/201868032.db2.gz IDSQGIVFKXLUJV-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353576061 535016907 /nfs/dbraw/zinc/01/69/07/535016907.db2.gz MREPTWJNWPDLHM-RDBSUJKOSA-N 1 0 237.391 2.387 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)c1ccccn1)C(C)C ZINC000289610185 346014641 /nfs/dbraw/zinc/01/46/41/346014641.db2.gz VTBKZOCUMIIUFD-NWDGAFQWSA-N 1 0 202.301 2.390 20 30 BEEDRO C#CCCC[N@@H+](CC)Cc1ccncc1 ZINC000161152354 346028849 /nfs/dbraw/zinc/02/88/49/346028849.db2.gz UCZMEVLQAFSOOB-UHFFFAOYSA-N 1 0 202.301 2.317 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000289618813 346037238 /nfs/dbraw/zinc/03/72/38/346037238.db2.gz DKWLZPLAYPWWFT-NXEZZACHSA-N 1 0 209.289 2.040 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000289618823 346037498 /nfs/dbraw/zinc/03/74/98/346037498.db2.gz DKWLZPLAYPWWFT-ZJUUUORDSA-N 1 0 209.289 2.040 20 30 BEEDRO COCC1CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000571040026 323104393 /nfs/dbraw/zinc/10/43/93/323104393.db2.gz PFLXNPJAGIXKGU-MOKVOYLWSA-N 1 0 249.358 2.225 20 30 BEEDRO CCC#C[C@H](C)N1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000586779085 346099477 /nfs/dbraw/zinc/09/94/77/346099477.db2.gz WWPBRTSLGHSZSD-JFILPPLUSA-N 1 0 241.400 2.020 20 30 BEEDRO CCC#C[C@H](C)N1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000586779084 346099693 /nfs/dbraw/zinc/09/96/93/346099693.db2.gz WWPBRTSLGHSZSD-BCUIYNNISA-N 1 0 241.400 2.020 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@](C)(O)COC ZINC000449384168 201897191 /nfs/dbraw/zinc/89/71/91/201897191.db2.gz MKIVDRKMGWHMJU-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO CC(C)(CO)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449407229 201906412 /nfs/dbraw/zinc/90/64/12/201906412.db2.gz GBSWDLKQVJGJLO-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO COc1cncc(C[NH2+]CC(C)(C)CC#N)c1C ZINC000601127211 346151663 /nfs/dbraw/zinc/15/16/63/346151663.db2.gz BSUZAASPTKCTGE-UHFFFAOYSA-N 1 0 247.342 2.428 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(COC)o1)C(C)C ZINC000289644259 346215425 /nfs/dbraw/zinc/21/54/25/346215425.db2.gz XQZGPDMTQUTLFJ-CYBMUJFWSA-N 1 0 221.300 2.173 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000381517492 346233097 /nfs/dbraw/zinc/23/30/97/346233097.db2.gz SROLSTKSMXKWAJ-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC000628258379 346258687 /nfs/dbraw/zinc/25/86/87/346258687.db2.gz BPDCNBWVFSQVSJ-WCQYABFASA-N 1 0 236.315 2.054 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@](C)(O)COC ZINC000381544327 346315944 /nfs/dbraw/zinc/31/59/44/346315944.db2.gz JLAOJXBBWRDCPR-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO Cc1nn(C(C)C)cc1C[NH2+]CCCC#N ZINC000281392952 346359753 /nfs/dbraw/zinc/35/97/53/346359753.db2.gz PEJDJWFXYRQKBP-UHFFFAOYSA-N 1 0 220.320 2.166 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(CC)c1 ZINC000281520004 346361697 /nfs/dbraw/zinc/36/16/97/346361697.db2.gz XVQABTLIHLPZBT-LBPRGKRZSA-N 1 0 207.321 2.347 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc2occc2c1 ZINC000641767331 362701227 /nfs/dbraw/zinc/70/12/27/362701227.db2.gz IXRIWQYBTJTERW-AWEZNQCLSA-N 1 0 243.306 2.297 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636235091 346363747 /nfs/dbraw/zinc/36/37/47/346363747.db2.gz AEOHUYSOMOSRSH-MELADBBJSA-N 1 0 248.370 2.038 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCC2(CC2)CC1 ZINC000641767580 362702687 /nfs/dbraw/zinc/70/26/87/362702687.db2.gz LUPVODBVADJWEX-CYBMUJFWSA-N 1 0 221.344 2.073 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000641769706 362704111 /nfs/dbraw/zinc/70/41/11/362704111.db2.gz YHUIXGVPSOSVDS-MRXNPFEDSA-N 1 0 245.366 2.476 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCC(CC)CC1 ZINC000641769702 362704350 /nfs/dbraw/zinc/70/43/50/362704350.db2.gz YEFDDCWNBBFOQC-RUXDESIVSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636155892 346338244 /nfs/dbraw/zinc/33/82/44/346338244.db2.gz DKCQRVQWAIGPOL-FRRDWIJNSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000281976191 346372880 /nfs/dbraw/zinc/37/28/80/346372880.db2.gz BRZOICIGFWEUPS-MWLCHTKSSA-N 1 0 207.321 2.344 20 30 BEEDRO C=C(Cl)CN[C@H](C)c1cn(C)nc1C ZINC000161732111 346382510 /nfs/dbraw/zinc/38/25/10/346382510.db2.gz IMKOJGWHICFGOS-MRVPVSSYSA-N 1 0 213.712 2.132 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccncc1N ZINC000641774084 362718205 /nfs/dbraw/zinc/71/82/05/362718205.db2.gz BNHQTZVPOPVFGY-UHFFFAOYSA-N 1 0 219.332 2.356 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000300226174 346421906 /nfs/dbraw/zinc/42/19/06/346421906.db2.gz WXOGLWGHDXJQMJ-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@@H+]1[C@H](C)[C@@H](C)CC[C@H]1CN ZINC000641807571 362766454 /nfs/dbraw/zinc/76/64/54/362766454.db2.gz LAAJJZPHBSUARW-XQQFMLRXSA-N 1 0 210.365 2.400 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000186704935 346533656 /nfs/dbraw/zinc/53/36/56/346533656.db2.gz OSAYLFABQWDLKY-GXTWGEPZSA-N 1 0 249.354 2.153 20 30 BEEDRO CN(C)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000588231469 346650206 /nfs/dbraw/zinc/65/02/06/346650206.db2.gz SAKSLCCXDBMSGI-HNNXBMFYSA-N 1 0 243.354 2.087 20 30 BEEDRO C=C(C)CC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000380067078 365838234 /nfs/dbraw/zinc/83/82/34/365838234.db2.gz CESUTOSWFDZQEO-UHFFFAOYSA-N 1 0 207.321 2.211 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)noc1C)C(C)(C)C ZINC000390558423 259393541 /nfs/dbraw/zinc/39/35/41/259393541.db2.gz RGDQHUGYIZWQKK-LBPRGKRZSA-N 1 0 220.316 2.429 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(C)C ZINC000380070615 365849672 /nfs/dbraw/zinc/84/96/72/365849672.db2.gz DDLUTMLGKHAXEB-AGIUHOORSA-N 1 0 209.333 2.049 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(C)O ZINC000589342971 346690596 /nfs/dbraw/zinc/69/05/96/346690596.db2.gz XYHMNMWVMXMJCT-YGRLFVJLSA-N 1 0 244.338 2.295 20 30 BEEDRO CCCN(CC)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000589350737 346693995 /nfs/dbraw/zinc/69/39/95/346693995.db2.gz MSMDZAXQPCJCRU-HZSPNIEDSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000577171239 365852589 /nfs/dbraw/zinc/85/25/89/365852589.db2.gz UZYGWOOXYFZEDS-OBPIAQAESA-N 1 0 222.332 2.224 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)[C@H]1CC[C@H](C#N)C1 ZINC000590154166 346781321 /nfs/dbraw/zinc/78/13/21/346781321.db2.gz KNXXRYBFBUQRQR-AVGNSLFASA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000020316474 259394035 /nfs/dbraw/zinc/39/40/35/259394035.db2.gz GHQRALHIGWVOGY-QNWHQSFQSA-N 1 0 238.375 2.091 20 30 BEEDRO CCO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000590161265 346784819 /nfs/dbraw/zinc/78/48/19/346784819.db2.gz VXZDDRWBTUYWMA-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)[C@H]1CC[C@H](C#N)C1 ZINC000590162744 346785210 /nfs/dbraw/zinc/78/52/10/346785210.db2.gz QVYLRESHKVKGAU-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC000590162745 346785221 /nfs/dbraw/zinc/78/52/21/346785221.db2.gz 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/nfs/dbraw/zinc/15/45/80/347154580.db2.gz OTGFMTNXVPBLHF-UHFFFAOYSA-N 1 0 246.354 2.440 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401581461 347156731 /nfs/dbraw/zinc/15/67/31/347156731.db2.gz KIVCDXUPWKJYGE-ABAIWWIYSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000309797545 347164148 /nfs/dbraw/zinc/16/41/48/347164148.db2.gz VRUYMKQCEGSSQJ-ZETCQYMHSA-N 1 0 233.237 2.483 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000309793936 347164496 /nfs/dbraw/zinc/16/44/96/347164496.db2.gz UYBXYEQMKWDOIV-OZVIIMIRSA-N 1 0 243.416 2.478 20 30 BEEDRO C=CC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1 ZINC000184583015 347168184 /nfs/dbraw/zinc/16/81/84/347168184.db2.gz XBCKBZJIVFONFE-AWEZNQCLSA-N 1 0 245.301 2.424 20 30 BEEDRO CCCC[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601314496 347194917 /nfs/dbraw/zinc/19/49/17/347194917.db2.gz ICUYNWINXXLPDN-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CC(C)CC[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000601314807 347195731 /nfs/dbraw/zinc/19/57/31/347195731.db2.gz RMESJKNRZUHFFR-AWEZNQCLSA-N 1 0 237.391 2.342 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000185757093 347213050 /nfs/dbraw/zinc/21/30/50/347213050.db2.gz AAZGCOIJDHZZIQ-AEGPPILISA-N 1 0 244.338 2.392 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccccn2)C1 ZINC000185710018 347210601 /nfs/dbraw/zinc/21/06/01/347210601.db2.gz QLHYJXWREFLYFQ-GXTWGEPZSA-N 1 0 229.327 2.296 20 30 BEEDRO Cn1cc(CCC[NH2+][C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000185712910 347210621 /nfs/dbraw/zinc/21/06/21/347210621.db2.gz OHZBKBTXCMHYMY-GXTWGEPZSA-N 1 0 246.358 2.025 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](C)O1 ZINC000601298069 347174010 /nfs/dbraw/zinc/17/40/10/347174010.db2.gz DADHDMKXWVPLRZ-SJHCENCUSA-N 1 0 222.332 2.224 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000601306312 347185156 /nfs/dbraw/zinc/18/51/56/347185156.db2.gz GCDYCCOVCRMBNF-RBXMUDONSA-N 1 0 218.222 2.219 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000601306310 347185211 /nfs/dbraw/zinc/18/52/11/347185211.db2.gz GCDYCCOVCRMBNF-FNCVBFRFSA-N 1 0 218.222 2.219 20 30 BEEDRO Cc1ccsc1[C@@H](CO)[NH2+]CCCCC#N ZINC000309845822 347186572 /nfs/dbraw/zinc/18/65/72/347186572.db2.gz GKYVLFAGJSOPPB-LLVKDONJSA-N 1 0 238.356 2.373 20 30 BEEDRO CCCC(N)=[NH+]OCCc1ccc2c(c1)CCO2 ZINC000187140840 347249913 /nfs/dbraw/zinc/24/99/13/347249913.db2.gz BDBVWPUVHAIIOY-UHFFFAOYSA-N 1 0 248.326 2.253 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000309997639 347213405 /nfs/dbraw/zinc/21/34/05/347213405.db2.gz CMOOUEWZHMUIJX-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]1[C@H](C)OCC[N@@H+]1CCC(C)(C)C#N ZINC000119740074 347301218 /nfs/dbraw/zinc/30/12/18/347301218.db2.gz RJWGRWHDWNMJSC-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@@H]1OCC[N@H+](CCC(C)(C)C#N)[C@H]1C ZINC000119740182 347301367 /nfs/dbraw/zinc/30/13/67/347301367.db2.gz RJWGRWHDWNMJSC-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H]1OCC[N@H+](CCC(C)(C)C#N)[C@H]1C ZINC000119740457 347301385 /nfs/dbraw/zinc/30/13/85/347301385.db2.gz RJWGRWHDWNMJSC-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@@H]1CC[C@H](CN(CC#N)C2CCCC2)O1 ZINC000188520462 347282840 /nfs/dbraw/zinc/28/28/40/347282840.db2.gz USQWHEBPPMQNNE-DGCLKSJQSA-N 1 0 222.332 2.322 20 30 BEEDRO C=CCC[N@@H+](CCOC)Cc1cccnc1 ZINC000191123382 347342685 /nfs/dbraw/zinc/34/26/85/347342685.db2.gz AUQFWRPYOWLOAK-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCC=C(C)C)cc1 ZINC000191149161 347343898 /nfs/dbraw/zinc/34/38/98/347343898.db2.gz ZYWCKAHKAVAVOC-UHFFFAOYSA-N 1 0 233.315 2.388 20 30 BEEDRO CC[N@@H+](Cc1cc(C#N)n(C)c1)CC1CC1 ZINC000191357600 347350663 /nfs/dbraw/zinc/35/06/63/347350663.db2.gz GIJOFTGBANTKHA-UHFFFAOYSA-N 1 0 217.316 2.129 20 30 BEEDRO CCCn1ccnc1CCC[N@H+](C)CCCC#N ZINC000191486558 347353269 /nfs/dbraw/zinc/35/32/69/347353269.db2.gz SRPGGSCZVICVEB-UHFFFAOYSA-N 1 0 248.374 2.461 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1C#N ZINC000189679745 347308458 /nfs/dbraw/zinc/30/84/58/347308458.db2.gz DBHCWBVKAUMMRD-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000265928301 166257796 /nfs/dbraw/zinc/25/77/96/166257796.db2.gz ZOOSIBFVVRJTEF-ZDUSSCGKSA-N 1 0 223.291 2.367 20 30 BEEDRO C#CC[NH2+][C@H](c1ccccc1)C1CCOCC1 ZINC000364312931 347368782 /nfs/dbraw/zinc/36/87/82/347368782.db2.gz ZAFKDBCNXYKBKN-OAHLLOKOSA-N 1 0 229.323 2.377 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192825192 347385389 /nfs/dbraw/zinc/38/53/89/347385389.db2.gz CAWQIIJEKJDHMZ-WXHSDQCUSA-N 1 0 246.358 2.462 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000192870679 347386122 /nfs/dbraw/zinc/38/61/22/347386122.db2.gz QEUXPXIMVUADJB-VHDGCEQUSA-N 1 0 244.338 2.392 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193261777 347393921 /nfs/dbraw/zinc/39/39/21/347393921.db2.gz ITUNQRXKROVNHX-TVYUQYBPSA-N 1 0 249.333 2.384 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000193297076 347394790 /nfs/dbraw/zinc/39/47/90/347394790.db2.gz VLIBEUFMIIKGBJ-XQQFMLRXSA-N 1 0 248.326 2.375 20 30 BEEDRO C[C@H]([NH2+]CCCCO)c1ccc(OCC#N)cc1 ZINC000193276003 347395057 /nfs/dbraw/zinc/39/50/57/347395057.db2.gz UOACYATZEGVRIQ-LBPRGKRZSA-N 1 0 248.326 2.012 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)c1ccsc1 ZINC000382143987 347399705 /nfs/dbraw/zinc/39/97/05/347399705.db2.gz NIZAGUREPPWUNV-JTQLQIEISA-N 1 0 224.329 2.329 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364415273 347418043 /nfs/dbraw/zinc/41/80/43/347418043.db2.gz IYLCIXXSAUCHGG-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C(C)C)C(C)C ZINC000194578383 347424944 /nfs/dbraw/zinc/42/49/44/347424944.db2.gz BMGDCGFDZXYQCG-UHFFFAOYSA-N 1 0 211.353 2.005 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000590645593 347484923 /nfs/dbraw/zinc/48/49/23/347484923.db2.gz JOPJRIMTIKZRDO-NFAWXSAZSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000590648961 347485367 /nfs/dbraw/zinc/48/53/67/347485367.db2.gz JVQMTOUIGKNNQX-UHFFFAOYSA-N 1 0 222.332 2.251 20 30 BEEDRO CCO[C@@H]1C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000590652487 347486580 /nfs/dbraw/zinc/48/65/80/347486580.db2.gz NJXABYJYRNJVBE-QZQSVVMZSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](C(=O)OC)C1 ZINC000590691135 347491999 /nfs/dbraw/zinc/49/19/99/347491999.db2.gz KHBCOKQRPTWJIK-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C#CC[N@@H+]1CCS[C@@H](c2ccccc2)C1 ZINC000364557710 347462427 /nfs/dbraw/zinc/46/24/27/347462427.db2.gz MOLDKFOQUJQOJO-CYBMUJFWSA-N 1 0 217.337 2.410 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC[C@H](SC)C1 ZINC000590707614 347498181 /nfs/dbraw/zinc/49/81/81/347498181.db2.gz MHTTUOUUCADYOM-NWDGAFQWSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000111260200 347473206 /nfs/dbraw/zinc/47/32/06/347473206.db2.gz KFFGCRVEHFCTOH-AWEZNQCLSA-N 1 0 244.338 2.111 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CC[C@H](F)C1 ZINC000590755565 347505359 /nfs/dbraw/zinc/50/53/59/347505359.db2.gz IUWHSHWHKDUVGG-ZDUSSCGKSA-N 1 0 218.275 2.411 20 30 BEEDRO C=CCC[N@@H+](CCOC)Cc1scnc1C ZINC000338542446 166261514 /nfs/dbraw/zinc/26/15/14/166261514.db2.gz ZURJOYKDROKQBG-UHFFFAOYSA-N 1 0 240.372 2.476 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000293282902 347520724 /nfs/dbraw/zinc/52/07/24/347520724.db2.gz VOLVCPGPIFJEQF-ZDUSSCGKSA-N 1 0 244.338 2.153 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1cccc(F)c1 ZINC000577230767 365893091 /nfs/dbraw/zinc/89/30/91/365893091.db2.gz YIHWFXIASVXNGO-GFCCVEGCSA-N 1 0 236.290 2.486 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[C@@H](O)C1 ZINC000590780117 347535527 /nfs/dbraw/zinc/53/55/27/347535527.db2.gz ZQWNWHJBQVGPTA-VNHYZAJKSA-N 1 0 242.322 2.049 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000590970506 347597311 /nfs/dbraw/zinc/59/73/11/347597311.db2.gz ZZZNYIZBIXLLPQ-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CC1(C)C ZINC000591239079 347632417 /nfs/dbraw/zinc/63/24/17/347632417.db2.gz RYFMSUYPOUHZGF-UONOGXRCSA-N 1 0 249.402 2.389 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591063331 347612489 /nfs/dbraw/zinc/61/24/89/347612489.db2.gz PTPYMVNDPNLWRH-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO N#Cc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000591573463 347676794 /nfs/dbraw/zinc/67/67/94/347676794.db2.gz ZCJVZVHEHJXRGN-CHWSQXEVSA-N 1 0 249.745 2.181 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591579961 347677422 /nfs/dbraw/zinc/67/74/22/347677422.db2.gz BMHZGNNVFBQKAS-HIFRSBDPSA-N 1 0 243.354 2.263 20 30 BEEDRO CC(C)([NH3+])CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591577509 347677659 /nfs/dbraw/zinc/67/76/59/347677659.db2.gz TURWLSHHEQSYKV-CQSZACIVSA-N 1 0 243.354 2.263 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCCN2)CC1 ZINC000591578056 347677986 /nfs/dbraw/zinc/67/79/86/347677986.db2.gz QIIWAGAZMJJHKK-MOKVOYLWSA-N 1 0 235.375 2.191 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000591659841 347683758 /nfs/dbraw/zinc/68/37/58/347683758.db2.gz YVJZLGVLRCRHFA-DVVUODLYSA-N 1 0 218.304 2.061 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCc1cccs1 ZINC000591723632 347688933 /nfs/dbraw/zinc/68/89/33/347688933.db2.gz VGIAOZNTAHFNSZ-LLVKDONJSA-N 1 0 233.340 2.324 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000590758170 347691270 /nfs/dbraw/zinc/69/12/70/347691270.db2.gz QJQQGXZQDHSQSU-RWMBFGLXSA-N 1 0 237.343 2.110 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759395 347691916 /nfs/dbraw/zinc/69/19/16/347691916.db2.gz LSJCZBQMZDRXDE-TZMCWYRMSA-N 1 0 246.354 2.290 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C(=O)NCCCC)CC[C@@H]1C ZINC000066473142 347705651 /nfs/dbraw/zinc/70/56/51/347705651.db2.gz LARMAPHNXXAPLQ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000591532448 347668397 /nfs/dbraw/zinc/66/83/97/347668397.db2.gz JDOAQZLZAJBLKJ-UKRRQHHQSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H](C[NH2+]Cc1nc(C#N)cs1)CC(F)F ZINC000592372941 347770937 /nfs/dbraw/zinc/77/09/37/347770937.db2.gz KSPOBDRQOXQEBQ-ZETCQYMHSA-N 1 0 245.298 2.396 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000592375557 347771596 /nfs/dbraw/zinc/77/15/96/347771596.db2.gz TZTOEIRRFGECDY-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000592375555 347771616 /nfs/dbraw/zinc/77/16/16/347771616.db2.gz TZTOEIRRFGECDY-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)Cn1nccc1C[NH2+]CC1(CC#N)CC1 ZINC000592366641 347774716 /nfs/dbraw/zinc/77/47/16/347774716.db2.gz FXVQANUAXYPMBX-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000592366634 347774880 /nfs/dbraw/zinc/77/48/80/347774880.db2.gz FWAORIAVNZXFQZ-WTIISPKJSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000592398229 347776624 /nfs/dbraw/zinc/77/66/24/347776624.db2.gz RSBSGLOYSGYIOJ-UMSGYPCISA-N 1 0 224.348 2.065 20 30 BEEDRO CC[N@H+](Cc1ccncc1C#N)C1CCC1 ZINC000592068834 347726953 /nfs/dbraw/zinc/72/69/53/347726953.db2.gz IDTRTRABRGLWNW-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccncc2C#N)C[C@H]1C ZINC000592070500 347727638 /nfs/dbraw/zinc/72/76/38/347727638.db2.gz QHOYNFKPZKMNTC-GHMZBOCLSA-N 1 0 215.300 2.041 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592071838 347728514 /nfs/dbraw/zinc/72/85/14/347728514.db2.gz SFUFSYLHYWBDND-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1ccncc1C#N ZINC000592055784 347731582 /nfs/dbraw/zinc/73/15/82/347731582.db2.gz ILEABWYRFWDBJO-SNVBAGLBSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000592102263 347734135 /nfs/dbraw/zinc/73/41/35/347734135.db2.gz WVDSFCRMCMYWCC-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(OC)c1 ZINC000449520174 201949415 /nfs/dbraw/zinc/94/94/15/201949415.db2.gz ONBHGIGRHDBXQL-KGLIPLIRSA-N 1 0 233.311 2.128 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000592106999 347734713 /nfs/dbraw/zinc/73/47/13/347734713.db2.gz BXLFWMPDAWAYHU-SMDDNHRTSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000592106997 347734923 /nfs/dbraw/zinc/73/49/23/347734923.db2.gz BXLFWMPDAWAYHU-FZMZJTMJSA-N 1 0 227.311 2.328 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592114857 347735687 /nfs/dbraw/zinc/73/56/87/347735687.db2.gz YXZKASGLNPYTLX-MFKMUULPSA-N 1 0 215.300 2.231 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1ccncc1C#N)C(C)C ZINC000592123640 347737291 /nfs/dbraw/zinc/73/72/91/347737291.db2.gz WSPPRQGDWVINPH-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592147799 347740397 /nfs/dbraw/zinc/74/03/97/347740397.db2.gz OSKMYMGLBLCIHD-HNNXBMFYSA-N 1 0 244.338 2.154 20 30 BEEDRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148562 347740850 /nfs/dbraw/zinc/74/08/50/347740850.db2.gz ZSHBQZSZNRHPGG-BXUZGUMPSA-N 1 0 248.301 2.237 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154143 347744204 /nfs/dbraw/zinc/74/42/04/347744204.db2.gz PPVURRIEWGTOQF-CQSZACIVSA-N 1 0 249.358 2.057 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343553265 133691757 /nfs/dbraw/zinc/69/17/57/133691757.db2.gz PQOYLFZYZRTKCI-HNNXBMFYSA-N 1 0 244.338 2.221 20 30 BEEDRO CC[N@H+](CCSC)[C@H]1CC[C@@H](C#N)C1 ZINC000592202666 347754925 /nfs/dbraw/zinc/75/49/25/347754925.db2.gz QAPLFVQBQQNPCV-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO CC[C@H](CO)[N@H+](C)CCCCC(C)(C)C#N ZINC000345847475 365925483 /nfs/dbraw/zinc/92/54/83/365925483.db2.gz YXFDJRUMWWMWNQ-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C[C@H](CO)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000593085019 347851849 /nfs/dbraw/zinc/85/18/49/347851849.db2.gz SWAWRWSSJMNKPN-BZPMIXESSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@H](CO)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000593085020 347851859 /nfs/dbraw/zinc/85/18/59/347851859.db2.gz SWAWRWSSJMNKPN-DYEKYZERSA-N 1 0 236.359 2.019 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCCSCC#N ZINC000593050125 347852310 /nfs/dbraw/zinc/85/23/10/347852310.db2.gz BRUHTKZWTOAYSW-VXGBXAGGSA-N 1 0 244.404 2.020 20 30 BEEDRO CO[C@@H](CC(C)C)C[NH+]1CCC(C#N)CC1 ZINC000419192057 192109477 /nfs/dbraw/zinc/10/94/77/192109477.db2.gz OOTTZHJHHPMKLA-ZDUSSCGKSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118438 347862826 /nfs/dbraw/zinc/86/28/26/347862826.db2.gz REAKSXDCEHMUSN-UWVGGRQHSA-N 1 0 214.259 2.410 20 30 BEEDRO C[C@H](CCO)[N@H+](C)CCCC(C)(C)C#N ZINC000593108504 347860580 /nfs/dbraw/zinc/86/05/80/347860580.db2.gz WQZDDEOVTOGFBI-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO N#Cc1cc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)ccn1 ZINC000593116234 347861730 /nfs/dbraw/zinc/86/17/30/347861730.db2.gz GOMPLEXVNWKOBU-GFCCVEGCSA-N 1 0 249.264 2.184 20 30 BEEDRO C=CCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305162501 323167897 /nfs/dbraw/zinc/16/78/97/323167897.db2.gz RSELCZRNWDYWQX-JTQLQIEISA-N 1 0 237.265 2.198 20 30 BEEDRO Cc1ncsc1CC[NH2+]C[C@@H](C#N)CCC#N ZINC000577386556 365941705 /nfs/dbraw/zinc/94/17/05/365941705.db2.gz PXPYLADPQBTDNZ-LLVKDONJSA-N 1 0 248.355 2.027 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](CC(C)C)OC ZINC000419271914 192110248 /nfs/dbraw/zinc/11/02/48/192110248.db2.gz AKLZHWGFUJPVFZ-MJBXVCDLSA-N 1 0 241.375 2.371 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000593681893 347932195 /nfs/dbraw/zinc/93/21/95/347932195.db2.gz LYFCGFFHVBWOEV-KWCYVHTRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2([S@](C)=O)CC2)C1 ZINC000593626326 347917966 /nfs/dbraw/zinc/91/79/66/347917966.db2.gz WLSDJHFCRRQSDT-WQGACYEGSA-N 1 0 241.400 2.232 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)C1 ZINC000593605590 347919639 /nfs/dbraw/zinc/91/96/39/347919639.db2.gz TYIUSLSMZMGALD-RSUWNVLCSA-N 1 0 243.416 2.478 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000593658512 347923394 /nfs/dbraw/zinc/92/33/94/347923394.db2.gz QMKPZGXBJHYELB-FQUUOJAGSA-N 1 0 238.375 2.455 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000593658510 347923488 /nfs/dbraw/zinc/92/34/88/347923488.db2.gz QMKPZGXBJHYELB-CRWXNKLISA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000419278280 192110859 /nfs/dbraw/zinc/11/08/59/192110859.db2.gz NCQYMCZBPKPVAH-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449546896 201960843 /nfs/dbraw/zinc/96/08/43/201960843.db2.gz FFGUDFVZHNFWIJ-DGAVXFQQSA-N 1 0 234.343 2.392 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cn1)C(C)C ZINC000593946821 347977505 /nfs/dbraw/zinc/97/75/05/347977505.db2.gz ABWIZLANSOJCSI-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CCC(C)C ZINC000594006905 347984283 /nfs/dbraw/zinc/98/42/83/347984283.db2.gz ZBVHUKJRTFKKJW-RYUDHWBXSA-N 1 0 212.337 2.065 20 30 BEEDRO CC[N@H+](CCSC)Cc1ccc(C#N)cn1 ZINC000594015071 347989967 /nfs/dbraw/zinc/98/99/67/347989967.db2.gz DHQKAMFMTLGZEU-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO CC(C)(CC[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000594016482 347990644 /nfs/dbraw/zinc/99/06/44/347990644.db2.gz YJWJSIJRGCNUSQ-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCCO1 ZINC000594041032 347994752 /nfs/dbraw/zinc/99/47/52/347994752.db2.gz IUEOMQOHFUSPEE-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000594042263 347995706 /nfs/dbraw/zinc/99/57/06/347995706.db2.gz SKTHTXWORCWVFH-LLVKDONJSA-N 1 0 213.321 2.128 20 30 BEEDRO CC[C@@H](CC#N)NCCC[NH+](CC)CC ZINC000036987462 347998403 /nfs/dbraw/zinc/99/84/03/347998403.db2.gz YXDGGPCUGPLKDS-LBPRGKRZSA-N 1 0 211.353 2.000 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000594515798 348063574 /nfs/dbraw/zinc/06/35/74/348063574.db2.gz RITIDMAICOAGAT-YRGRVCCFSA-N 1 0 229.327 2.294 20 30 BEEDRO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)cc(C#N)n1 ZINC000594591243 348079310 /nfs/dbraw/zinc/07/93/10/348079310.db2.gz IVGMZRAWUWRGPR-VDISTLRHSA-N 1 0 244.342 2.014 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]Cc1ccc(C#N)o1 ZINC000594516239 348068948 /nfs/dbraw/zinc/06/89/48/348068948.db2.gz BXBIAFJRFSVCBX-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]Cc1ccc(C#N)o1 ZINC000594516236 348069190 /nfs/dbraw/zinc/06/91/90/348069190.db2.gz BXBIAFJRFSVCBX-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594525771 348069702 /nfs/dbraw/zinc/06/97/02/348069702.db2.gz VHRJHRADHRQWMG-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H](O)CSC ZINC000594577564 348074976 /nfs/dbraw/zinc/07/49/76/348074976.db2.gz RKENTFCVEDDAJQ-NSHDSACASA-N 1 0 217.378 2.046 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H](O)CSC ZINC000594577563 348075028 /nfs/dbraw/zinc/07/50/28/348075028.db2.gz RKENTFCVEDDAJQ-LLVKDONJSA-N 1 0 217.378 2.046 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCC#N)[C@H]2CCCO[C@H]21 ZINC000309363760 535069114 /nfs/dbraw/zinc/06/91/14/535069114.db2.gz AWPDJPWPZJOWRK-IJLUTSLNSA-N 1 0 222.332 2.083 20 30 BEEDRO Cc1cccc(NC(=O)[C@@H]([NH3+])CCCCC#N)c1 ZINC000594425110 348051167 /nfs/dbraw/zinc/05/11/67/348051167.db2.gz JWPOUQLUDPZTJT-ZDUSSCGKSA-N 1 0 245.326 2.345 20 30 BEEDRO CCC(C)(CC)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594448029 348056311 /nfs/dbraw/zinc/05/63/11/348056311.db2.gz YOMPDPPZFAFYOW-NSHDSACASA-N 1 0 239.363 2.093 20 30 BEEDRO COCC1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000594514945 348062053 /nfs/dbraw/zinc/06/20/53/348062053.db2.gz NBQIDEAVMDIZKS-UHFFFAOYSA-N 1 0 224.348 2.333 20 30 BEEDRO C=CCCSCC[NH2+]C[C@@H](C#N)CCC#N ZINC000594709890 348104352 /nfs/dbraw/zinc/10/43/52/348104352.db2.gz GXFDPDRCRSRIAO-GFCCVEGCSA-N 1 0 237.372 2.329 20 30 BEEDRO C[C@@H]1C[NH2+]C[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594738515 348110608 /nfs/dbraw/zinc/11/06/08/348110608.db2.gz FYPYIWPCUAQGPF-QWHCGFSZSA-N 1 0 235.375 2.048 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)CS1 ZINC000594611648 348082244 /nfs/dbraw/zinc/08/22/44/348082244.db2.gz JILKYPJUFUEHFL-VHSXEESVSA-N 1 0 212.362 2.410 20 30 BEEDRO N#Cc1ccc2c(c1)CN(CC1=CCCOC1)C2 ZINC000594610855 348082272 /nfs/dbraw/zinc/08/22/72/348082272.db2.gz GHIWWACYXWQPJC-UHFFFAOYSA-N 1 0 240.306 2.221 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000595048390 348179787 /nfs/dbraw/zinc/17/97/87/348179787.db2.gz FFFJLIDOJKPZDJ-NSHDSACASA-N 1 0 230.315 2.001 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594938942 348142566 /nfs/dbraw/zinc/14/25/66/348142566.db2.gz XQDGWHCKVRNVFE-RHYQMDGZSA-N 1 0 225.332 2.128 20 30 BEEDRO Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000594948482 348146769 /nfs/dbraw/zinc/14/67/69/348146769.db2.gz ZURKBQUJQYSDCK-ZYHUDNBSSA-N 1 0 244.342 2.079 20 30 BEEDRO CCCn1nccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000594953619 348148520 /nfs/dbraw/zinc/14/85/20/348148520.db2.gz JAPHVBSIAGXXDJ-STQMWFEESA-N 1 0 246.358 2.465 20 30 BEEDRO Cn1cccc1C[NH2+]CCc1ccc(C#N)cc1 ZINC000594956566 348149749 /nfs/dbraw/zinc/14/97/49/348149749.db2.gz WTNAFPWYKRLUBY-UHFFFAOYSA-N 1 0 239.322 2.229 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CO1 ZINC000594920011 348154586 /nfs/dbraw/zinc/15/45/86/348154586.db2.gz MBNKMRGHXISXJG-CHWSQXEVSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H](CCO)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920761 348155135 /nfs/dbraw/zinc/15/51/35/348155135.db2.gz HJEDZVHXTJNDJH-GFCCVEGCSA-N 1 0 244.338 2.102 20 30 BEEDRO COC1CC(CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000594965202 348160567 /nfs/dbraw/zinc/16/05/67/348160567.db2.gz ROAWHFGIHBCDPW-UHFFFAOYSA-N 1 0 234.299 2.056 20 30 BEEDRO COC1CC(CC[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594967700 348161448 /nfs/dbraw/zinc/16/14/48/348161448.db2.gz UQEIAZKKNXJAMW-UHFFFAOYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H]1OCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981237 348164378 /nfs/dbraw/zinc/16/43/78/348164378.db2.gz LMCWMGNKOLJELX-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)O1 ZINC000594982940 348164688 /nfs/dbraw/zinc/16/46/88/348164688.db2.gz DBMVVJDOWKGTBY-PWSUYJOCSA-N 1 0 234.299 2.198 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H](CO)CC1CC1 ZINC000594984327 348164927 /nfs/dbraw/zinc/16/49/27/348164927.db2.gz SKNFPOROYRAONV-CYBMUJFWSA-N 1 0 238.375 2.315 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000594986301 348165495 /nfs/dbraw/zinc/16/54/95/348165495.db2.gz DELOKMQDALBGPZ-DKNRTOFZSA-N 1 0 248.370 2.352 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)s1 ZINC000594989520 348166884 /nfs/dbraw/zinc/16/68/84/348166884.db2.gz UAEZWYCWGTYPGU-NWDGAFQWSA-N 1 0 248.351 2.013 20 30 BEEDRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc(C#N)o1 ZINC000594996388 348168582 /nfs/dbraw/zinc/16/85/82/348168582.db2.gz NBGBDXNRRXSOIJ-GFCCVEGCSA-N 1 0 204.273 2.429 20 30 BEEDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000594997203 348168589 /nfs/dbraw/zinc/16/85/89/348168589.db2.gz ZGGCOMPZRUOERI-AWEZNQCLSA-N 1 0 244.338 2.463 20 30 BEEDRO CO[C@@H](C[N@H+](CCC#N)CC1CC1)C1CCC1 ZINC000595335790 348220610 /nfs/dbraw/zinc/22/06/10/348220610.db2.gz XOADLSZDAAZMFL-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC000595340331 348221706 /nfs/dbraw/zinc/22/17/06/348221706.db2.gz FNUDBVKYNBGHMR-OAHLLOKOSA-N 1 0 244.338 2.069 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN([C@H](C#N)c2ccccc2)C1 ZINC000595306508 348222531 /nfs/dbraw/zinc/22/25/31/348222531.db2.gz NPBUCKDBZLGRAR-HUUCEWRRSA-N 1 0 243.354 2.277 20 30 BEEDRO C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCCO1 ZINC000595306577 348222729 /nfs/dbraw/zinc/22/27/29/348222729.db2.gz OWHBGLPVVSRUJG-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000595049758 348180600 /nfs/dbraw/zinc/18/06/00/348180600.db2.gz OIWZXRYXZKXKCY-AGIUHOORSA-N 1 0 229.327 2.467 20 30 BEEDRO COC1CC(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595050216 348180796 /nfs/dbraw/zinc/18/07/96/348180796.db2.gz RIKGMSCVFZPDHC-DKNRTOFZSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C#N)c1 ZINC000595057517 348182926 /nfs/dbraw/zinc/18/29/26/348182926.db2.gz YPIBXHLXAQFQDH-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)Cn1cccn1 ZINC000595057128 348182996 /nfs/dbraw/zinc/18/29/96/348182996.db2.gz AKMWAEJZQJOQEH-LBPRGKRZSA-N 1 0 239.388 2.171 20 30 BEEDRO C=CCCSCC[NH2+]C1CCC(O)CC1 ZINC000595059431 348183787 /nfs/dbraw/zinc/18/37/87/348183787.db2.gz OHBHQXZFDWBBOJ-UHFFFAOYSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000595059396 348183927 /nfs/dbraw/zinc/18/39/27/348183927.db2.gz NMOQFPTYHWBOOR-NSHDSACASA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1ccncn1 ZINC000595061255 348185161 /nfs/dbraw/zinc/18/51/61/348185161.db2.gz ZIQBKLICLVFNIY-NSHDSACASA-N 1 0 237.372 2.437 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCCn2nccc21 ZINC000595013283 348185340 /nfs/dbraw/zinc/18/53/40/348185340.db2.gz RTOWUDHIAIRTQW-NSHDSACASA-N 1 0 218.304 2.001 20 30 BEEDRO 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236.359 2.065 20 30 BEEDRO C[N@@H+](Cc1ccco1)C[C@H](O)CC(C)(C)C#N ZINC000598584409 348994695 /nfs/dbraw/zinc/99/46/95/348994695.db2.gz LPVQOVDHBFBHMD-LLVKDONJSA-N 1 0 236.315 2.012 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598586226 348995204 /nfs/dbraw/zinc/99/52/04/348995204.db2.gz FGVZWIOBHKAANW-XQQFMLRXSA-N 1 0 238.375 2.265 20 30 BEEDRO CC[C@H](C)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598588437 348995476 /nfs/dbraw/zinc/99/54/76/348995476.db2.gz LZNIJSRLAZGTDR-NWDGAFQWSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598587617 348995613 /nfs/dbraw/zinc/99/56/13/348995613.db2.gz SUDLQDVZCQRHGM-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598587618 348995717 /nfs/dbraw/zinc/99/57/17/348995717.db2.gz SUDLQDVZCQRHGM-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598587615 348995862 /nfs/dbraw/zinc/99/58/62/348995862.db2.gz SUDLQDVZCQRHGM-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)[C@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598586639 348995884 /nfs/dbraw/zinc/99/58/84/348995884.db2.gz KCBACVGNAHXNMW-CHWSQXEVSA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000598622344 349002872 /nfs/dbraw/zinc/00/28/72/349002872.db2.gz IFVFZJCVJRNQQJ-GFCCVEGCSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598588024 348996037 /nfs/dbraw/zinc/99/60/37/348996037.db2.gz XTGNHOLHKFIYOM-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC(C)(C)C ZINC000598590871 348997719 /nfs/dbraw/zinc/99/77/19/348997719.db2.gz UQQWNEGAIABHDU-NSHDSACASA-N 1 0 226.364 2.265 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598590290 348997840 /nfs/dbraw/zinc/99/78/40/348997840.db2.gz OSDSQBFBHWSNKT-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1C ZINC000598592890 348998770 /nfs/dbraw/zinc/99/87/70/348998770.db2.gz OBEWXQXSAOXWAW-AGIUHOORSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598593649 348998827 /nfs/dbraw/zinc/99/88/27/348998827.db2.gz VOURJMIYRTWHHH-WOPDTQHZSA-N 1 0 224.348 2.017 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCC[C@H](C)C1 ZINC000052890382 349043850 /nfs/dbraw/zinc/04/38/50/349043850.db2.gz ARTSSGFUXYJHHX-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO Cc1cc(C)c(NC(=O)[C@@H](C)CC#N)c(C)n1 ZINC000598805252 349046739 /nfs/dbraw/zinc/04/67/39/349046739.db2.gz VRCSFMCATDPOOZ-QMMMGPOBSA-N 1 0 231.299 2.495 20 30 BEEDRO CC[C@H](C)[N@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598625441 349003683 /nfs/dbraw/zinc/00/36/83/349003683.db2.gz QCDGDYOYKMKEOH-RYUDHWBXSA-N 1 0 226.364 2.408 20 30 BEEDRO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)[C@H]1C ZINC000598623547 349003796 /nfs/dbraw/zinc/00/37/96/349003796.db2.gz XWQQOYNJNBYRLN-MROQNXINSA-N 1 0 238.375 2.263 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC(C)(C)C#N ZINC000598627644 349004782 /nfs/dbraw/zinc/00/47/82/349004782.db2.gz IQIUGSDPFGACAI-HZSPNIEDSA-N 1 0 248.370 2.470 20 30 BEEDRO C[NH2+]C1(CNc2cccc(F)c2C#N)CCC1 ZINC000598634951 349004803 /nfs/dbraw/zinc/00/48/03/349004803.db2.gz UCZHVHCEHZCEQP-UHFFFAOYSA-N 1 0 233.290 2.251 20 30 BEEDRO C[C@H]1CCCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598602719 349006222 /nfs/dbraw/zinc/00/62/22/349006222.db2.gz BAPLGDQHSKMRMN-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1C ZINC000598600611 349006338 /nfs/dbraw/zinc/00/63/38/349006338.db2.gz PAADDBNXTHMMCA-JHJVBQTASA-N 1 0 238.375 2.265 20 30 BEEDRO CC1=C(C)C[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598610491 349006728 /nfs/dbraw/zinc/00/67/28/349006728.db2.gz GYDDIUIASHQVOY-CYBMUJFWSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1CO ZINC000598645879 349009331 /nfs/dbraw/zinc/00/93/31/349009331.db2.gz OMISHCXMFURGDC-SWLSCSKDSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1CO ZINC000598645878 349009473 /nfs/dbraw/zinc/00/94/73/349009473.db2.gz OMISHCXMFURGDC-IUODEOHRSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1CO ZINC000598650720 349012302 /nfs/dbraw/zinc/01/23/02/349012302.db2.gz OISGUXLKLTUPSC-QWHCGFSZSA-N 1 0 238.375 2.267 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CC2(F)F)C1 ZINC000598678567 349020888 /nfs/dbraw/zinc/02/08/88/349020888.db2.gz YZYYYPCBZSNXKY-OPRDCNLKSA-N 1 0 214.259 2.314 20 30 BEEDRO CC(C)[C@](C)(C[NH3+])NCc1ccccc1C#N ZINC000598680063 349021761 /nfs/dbraw/zinc/02/17/61/349021761.db2.gz RZRRGXKLNXYXLR-AWEZNQCLSA-N 1 0 231.343 2.021 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598718053 349026552 /nfs/dbraw/zinc/02/65/52/349026552.db2.gz BXJKKCPFSFAGLV-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(C)CCCC1 ZINC000598721293 349027602 /nfs/dbraw/zinc/02/76/02/349027602.db2.gz ULLDYNNKPSVGFP-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO CCCC1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598725296 349029420 /nfs/dbraw/zinc/02/94/20/349029420.db2.gz NEBAKXFMOKBZRR-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)C1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598726021 349029442 /nfs/dbraw/zinc/02/94/42/349029442.db2.gz QLZVCWXUKVECBJ-LBPRGKRZSA-N 1 0 238.375 2.313 20 30 BEEDRO CCC[C@H](C[NH2+]Cc1ccc(C#N)o1)OCC ZINC000598989969 349072018 /nfs/dbraw/zinc/07/20/18/349072018.db2.gz YACYEBAWJQMNSL-GFCCVEGCSA-N 1 0 236.315 2.446 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000599014524 349081969 /nfs/dbraw/zinc/08/19/69/349081969.db2.gz BKQHARXWHAZZAE-JGZJWPJOSA-N 1 0 236.340 2.134 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000599017411 349082786 /nfs/dbraw/zinc/08/27/86/349082786.db2.gz PSYFMSUAVKKUNS-OKILXGFUSA-N 1 0 230.311 2.073 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000599067104 349086906 /nfs/dbraw/zinc/08/69/06/349086906.db2.gz AFDMZAIIWZPEDC-BFHYXJOUSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628302318 349093025 /nfs/dbraw/zinc/09/30/25/349093025.db2.gz YUZFOZZPPPOZBA-GXSJLCMTSA-N 1 0 233.302 2.337 20 30 BEEDRO CCO[C@@H]1C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000309045156 323205493 /nfs/dbraw/zinc/20/54/93/323205493.db2.gz NZLDDYVOUWNNJS-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H]1CCCC[C@H]1C[NH+]1CCN(CC#N)CC1 ZINC000598894974 349058988 /nfs/dbraw/zinc/05/89/88/349058988.db2.gz LOKAYIWVILNAFL-GJZGRUSLSA-N 1 0 249.402 2.344 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184409217 349130678 /nfs/dbraw/zinc/13/06/78/349130678.db2.gz LMXRNGNZWDPHSU-LBPRGKRZSA-N 1 0 234.368 2.407 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCCC(=O)OC ZINC000599256777 349132176 /nfs/dbraw/zinc/13/21/76/349132176.db2.gz GCGBTSKVZYLZQH-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO Cc1ccc(C[NH+]2CCSCC2)cc1C#N ZINC000599266088 349135010 /nfs/dbraw/zinc/13/50/10/349135010.db2.gz NHRCMKWOQZLLKL-UHFFFAOYSA-N 1 0 232.352 2.416 20 30 BEEDRO C[N@H+](C[C@H](O)CC1(C#N)CC1)CC1CCCC1 ZINC000599275029 349137367 /nfs/dbraw/zinc/13/73/67/349137367.db2.gz KBRXOAIVLDRDFK-CYBMUJFWSA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCCOCC2)cc1C#N ZINC000599275186 349137851 /nfs/dbraw/zinc/13/78/51/349137851.db2.gz NSHFLQIMFPGTKY-UHFFFAOYSA-N 1 0 230.311 2.089 20 30 BEEDRO C[C@H](NCc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000386088861 362939559 /nfs/dbraw/zinc/93/95/59/362939559.db2.gz HVCYWBRJGWURNB-SWLSCSKDSA-N 1 0 243.354 2.178 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1C#N ZINC000599281078 349139742 /nfs/dbraw/zinc/13/97/42/349139742.db2.gz ORCSXBGZHNBXTK-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1C#N ZINC000599298296 349140146 /nfs/dbraw/zinc/14/01/46/349140146.db2.gz XSLFHCIHFAKWAD-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1C#N ZINC000599308566 349144329 /nfs/dbraw/zinc/14/43/29/349144329.db2.gz SOKVCKYJYNUBOF-CQSZACIVSA-N 1 0 244.338 2.335 20 30 BEEDRO Cc1ccc(C[NH2+]C(C)(C)CN(C)C)cc1C#N ZINC000599437878 349177168 /nfs/dbraw/zinc/17/71/68/349177168.db2.gz SNJMLKXWTJHVHD-UHFFFAOYSA-N 1 0 245.370 2.297 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1C#N ZINC000599425922 349184624 /nfs/dbraw/zinc/18/46/24/349184624.db2.gz RTLQSNCNRSPFSV-BXUZGUMPSA-N 1 0 230.311 2.134 20 30 BEEDRO Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1C#N ZINC000599430615 349188041 /nfs/dbraw/zinc/18/80/41/349188041.db2.gz XMILCILKHCSEPQ-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1C#N ZINC000599430614 349188176 /nfs/dbraw/zinc/18/81/76/349188176.db2.gz XMILCILKHCSEPQ-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599461811 349190723 /nfs/dbraw/zinc/19/07/23/349190723.db2.gz KUXUYPWMBRVRPD-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1ccc(CN2CCO[C@@H](C)[C@@H]2C)cc1C#N ZINC000599322353 349155794 /nfs/dbraw/zinc/15/57/94/349155794.db2.gz ZCZXFIQOWKJUSC-STQMWFEESA-N 1 0 244.338 2.476 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599357486 349159299 /nfs/dbraw/zinc/15/92/99/349159299.db2.gz WCYLQCRAYFHBGF-SRVKXCTJSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000273048702 192390535 /nfs/dbraw/zinc/39/05/35/192390535.db2.gz FAHMKOQYVIRMAU-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)cc1C#N ZINC000599378529 349162611 /nfs/dbraw/zinc/16/26/11/349162611.db2.gz OCVKKQROSDEZKA-IUODEOHRSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)C1(OC)CCCC1 ZINC000421837699 192391000 /nfs/dbraw/zinc/39/10/00/192391000.db2.gz RVESSWZXRWEUIP-CHWSQXEVSA-N 1 0 241.375 2.108 20 30 BEEDRO Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1C#N ZINC000599433366 349174387 /nfs/dbraw/zinc/17/43/87/349174387.db2.gz DWPRLGUYMMJKDL-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000599526068 349207994 /nfs/dbraw/zinc/20/79/94/349207994.db2.gz CWPKSZZKZQFHJI-LBPRGKRZSA-N 1 0 227.311 2.351 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599655669 349235147 /nfs/dbraw/zinc/23/51/47/349235147.db2.gz XOCSAVHZJUATCP-RWMBFGLXSA-N 1 0 237.343 2.226 20 30 BEEDRO CC#CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599654122 349235488 /nfs/dbraw/zinc/23/54/88/349235488.db2.gz LVJLCBCZYQCLRF-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CNCC[C@H]1C ZINC000530213650 323216772 /nfs/dbraw/zinc/21/67/72/323216772.db2.gz ULVYVXYIZCPJSY-VXGBXAGGSA-N 1 0 210.365 2.176 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(COC)CCC1 ZINC000308959566 349202715 /nfs/dbraw/zinc/20/27/15/349202715.db2.gz FOYGPFCMTOECAX-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]1C[NH+](CCOCCC#N)C[C@H](C)C1(F)F ZINC000599515306 349204018 /nfs/dbraw/zinc/20/40/18/349204018.db2.gz QYOHIMKAQFHHAL-QWRGUYRKSA-N 1 0 246.301 2.140 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599682282 349243768 /nfs/dbraw/zinc/24/37/68/349243768.db2.gz ZGXOBOUVOYPWRZ-YNEHKIRRSA-N 1 0 236.359 2.162 20 30 BEEDRO COC[C@@H]([NH2+]CCCCC#N)c1ccco1 ZINC000184545084 349261658 /nfs/dbraw/zinc/26/16/58/349261658.db2.gz DEDLQSPLDPRXMR-LLVKDONJSA-N 1 0 222.288 2.251 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000308993666 349269059 /nfs/dbraw/zinc/26/90/59/349269059.db2.gz IZIMTYKJCQGOHM-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C#N)cc(C)n1 ZINC000160952940 349343292 /nfs/dbraw/zinc/34/32/92/349343292.db2.gz KZYBXASXXKNVJU-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000185575454 349356047 /nfs/dbraw/zinc/35/60/47/349356047.db2.gz KAHNXSRTYQHNRR-GXTWGEPZSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCCC[NH2+][C@H](CCO)c1ccco1 ZINC000185082481 349325477 /nfs/dbraw/zinc/32/54/77/349325477.db2.gz LHMSFPBVEHSBEQ-LLVKDONJSA-N 1 0 209.289 2.259 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CCCC2CCC2)CC1 ZINC000601960149 349401396 /nfs/dbraw/zinc/40/13/96/349401396.db2.gz PNYQDEKJRDLXNC-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CCCC2CCC2)CC1 ZINC000601960148 349401513 /nfs/dbraw/zinc/40/15/13/349401513.db2.gz PNYQDEKJRDLXNC-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000601961710 349402324 /nfs/dbraw/zinc/40/23/24/349402324.db2.gz ZWSNUYAMVSHOQN-XDQVBPFNSA-N 1 0 248.370 2.067 20 30 BEEDRO C=CCC(C)(C)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000563094154 350011694 /nfs/dbraw/zinc/01/16/94/350011694.db2.gz ZZDOYDOZRQEPKX-GHMZBOCLSA-N 1 0 241.379 2.014 20 30 BEEDRO COCC[N@H+](CCC#N)C[C@@H]1CCC(F)(F)C1 ZINC000382309902 350032937 /nfs/dbraw/zinc/03/29/37/350032937.db2.gz IWVFQWIBGWDBHI-LLVKDONJSA-N 1 0 246.301 2.284 20 30 BEEDRO CC(C)[N@H+](C)CCNCc1cccc(F)c1C#N ZINC000602000726 349410754 /nfs/dbraw/zinc/41/07/54/349410754.db2.gz JXFLQZPDLZGOKT-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCO[C@@H](C(F)F)CC2)C1 ZINC000601976004 349412686 /nfs/dbraw/zinc/41/26/86/349412686.db2.gz OXNUBRKRYQYJCB-OUAUKWLOSA-N 1 0 244.285 2.035 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000602015919 349416971 /nfs/dbraw/zinc/41/69/71/349416971.db2.gz KYYCMUNOASOXAD-UHFFFAOYSA-N 1 0 219.288 2.094 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc(F)c1C#N ZINC000602029358 349420824 /nfs/dbraw/zinc/42/08/24/349420824.db2.gz VBPNYLJUWUKNED-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO C=C[C@@H](N[C@H]1CC[C@H](CC)CC1)C(=O)OC ZINC000390778389 350081543 /nfs/dbraw/zinc/08/15/43/350081543.db2.gz HGCYYBZCGWLZQF-IJLUTSLNSA-N 1 0 225.332 2.272 20 30 BEEDRO Cc1ccc(C[C@H](C)[NH2+]CCC#N)s1 ZINC000070633860 350033646 /nfs/dbraw/zinc/03/36/46/350033646.db2.gz IEBGKUNYHDCSHQ-VIFPVBQESA-N 1 0 208.330 2.491 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cn[nH]c1 ZINC000230937556 350068790 /nfs/dbraw/zinc/06/87/90/350068790.db2.gz DPMWTVIGQYKVQW-SECBINFHSA-N 1 0 244.273 2.271 20 30 BEEDRO Cc1nc(NC[C@H](C)[N@H+](C)C2CC2)ccc1C#N ZINC000292041082 180019136 /nfs/dbraw/zinc/01/91/36/180019136.db2.gz VFUOOXCUWXXVGH-JTQLQIEISA-N 1 0 244.342 2.156 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000624038193 350092391 /nfs/dbraw/zinc/09/23/91/350092391.db2.gz VPRRLUWBHXQBGC-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000402259437 350096678 /nfs/dbraw/zinc/09/66/78/350096678.db2.gz BNMCBUCRIVECGH-RISCZKNCSA-N 1 0 230.311 2.020 20 30 BEEDRO C[C@H]1CN(Cc2cccc(C#N)c2F)C[C@H](C)O1 ZINC000219508284 350129513 /nfs/dbraw/zinc/12/95/13/350129513.db2.gz XWGAZPWCTQOFKS-QWRGUYRKSA-N 1 0 248.301 2.307 20 30 BEEDRO CC[C@H]1C[N@H+](CC2(CC#N)CC2)CCCO1 ZINC000304187832 350148008 /nfs/dbraw/zinc/14/80/08/350148008.db2.gz ZVNZOVCAKITKGN-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(OC(C)C)CC1 ZINC000532381275 323257456 /nfs/dbraw/zinc/25/74/56/323257456.db2.gz MRICTMXGDYGHPA-CYBMUJFWSA-N 1 0 241.375 2.203 20 30 BEEDRO COCCCC[N@H+](C)CC1(CC#N)CC1 ZINC000397220967 350139768 /nfs/dbraw/zinc/13/97/68/350139768.db2.gz OLQDLWIDRKLCFP-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C[NH2+]C[C@H](C)CNc1c(Cl)cccc1C#N ZINC000420188551 192172611 /nfs/dbraw/zinc/17/26/11/192172611.db2.gz FKTLMJYJHCAKAS-VIFPVBQESA-N 1 0 237.734 2.479 20 30 BEEDRO C=CCCC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000605149840 350259276 /nfs/dbraw/zinc/25/92/76/350259276.db2.gz BYUBLDWCYNUFFA-UHFFFAOYSA-N 1 0 217.316 2.109 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000521428396 259412188 /nfs/dbraw/zinc/41/21/88/259412188.db2.gz QGXYSEDAZBRDHT-HIFRSBDPSA-N 1 0 231.339 2.154 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)ncn2C ZINC000275159904 166323012 /nfs/dbraw/zinc/32/30/12/166323012.db2.gz XRERFTIGHWZZFF-UHFFFAOYSA-N 1 0 215.300 2.191 20 30 BEEDRO CC[C@H]([NH2+]Cc1nc(C#N)cs1)C1CC1 ZINC000324251480 350293838 /nfs/dbraw/zinc/29/38/38/350293838.db2.gz BETDROPTGCLSTR-JTQLQIEISA-N 1 0 221.329 2.293 20 30 BEEDRO CCCN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000328527835 350400995 /nfs/dbraw/zinc/40/09/95/350400995.db2.gz VLVALYQBKRAPJH-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=CCCC[N@@H+](C)CCn1cc(C)cn1 ZINC000336670663 350434489 /nfs/dbraw/zinc/43/44/89/350434489.db2.gz FVROKPYXCKGHCG-UHFFFAOYSA-N 1 0 207.321 2.090 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336676241 350438134 /nfs/dbraw/zinc/43/81/34/350438134.db2.gz MUMBLRBJAKVMRB-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO COCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336643429 350414616 /nfs/dbraw/zinc/41/46/16/350414616.db2.gz CFFILFPKOJWEIK-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO COC1(C)CC[NH+](CCCSCC#N)CC1 ZINC000336650085 350418217 /nfs/dbraw/zinc/41/82/17/350418217.db2.gz HIOGWVQHNLIILK-UHFFFAOYSA-N 1 0 242.388 2.134 20 30 BEEDRO C[C@H]1[N@H+](CCCCC#N)CCOC1(C)C ZINC000336654268 350421303 /nfs/dbraw/zinc/42/13/03/350421303.db2.gz ZTCFJNPDGGKQSB-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](C#N)C[N@H+](CCC1CCOCC1)C1CC1 ZINC000336659892 350422987 /nfs/dbraw/zinc/42/29/87/350422987.db2.gz QKHNQHFQYBMGOZ-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@@]1(C)COCC[N@@H+]1CCC(C)(C)C#N ZINC000336683894 350439171 /nfs/dbraw/zinc/43/91/71/350439171.db2.gz TWVCJWTYNWDZBV-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@H](CSC)C1 ZINC000336693157 350449521 /nfs/dbraw/zinc/44/95/21/350449521.db2.gz QYONLQBARBOVFU-LBPRGKRZSA-N 1 0 211.374 2.475 20 30 BEEDRO CN(CC[N@H+](C)CCCC#N)c1ccccc1 ZINC000336703025 350459418 /nfs/dbraw/zinc/45/94/18/350459418.db2.gz BIWQTVCRZPDNQS-UHFFFAOYSA-N 1 0 231.343 2.358 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2ccccn2)CC1 ZINC000227351445 350492794 /nfs/dbraw/zinc/49/27/94/350492794.db2.gz MJCQSUIRQFMMRW-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000227351385 350492994 /nfs/dbraw/zinc/49/29/94/350492994.db2.gz MJVSCHAWIJENIA-UHFFFAOYSA-N 1 0 244.338 2.305 20 30 BEEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCCC#N ZINC000163152024 350507740 /nfs/dbraw/zinc/50/77/40/350507740.db2.gz JBYAMFLPHMBFIL-QWHCGFSZSA-N 1 0 224.348 2.306 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccnn1CC ZINC000159000313 191106823 /nfs/dbraw/zinc/10/68/23/191106823.db2.gz BBLPCZDJLHALGQ-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163186364 350512906 /nfs/dbraw/zinc/51/29/06/350512906.db2.gz UNARQJJREUOCPU-MJBXVCDLSA-N 1 0 221.344 2.025 20 30 BEEDRO COC1(C[NH2+]CC2(CC#N)CC2)CCCC1 ZINC000336762357 350506103 /nfs/dbraw/zinc/50/61/03/350506103.db2.gz LFFPBCHQSFOVBR-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000577506994 365972771 /nfs/dbraw/zinc/97/27/71/365972771.db2.gz MVIUISPIXUWUDC-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](C)C[C@H](C)O)ccc1C#N ZINC000444001881 191110904 /nfs/dbraw/zinc/11/09/04/191110904.db2.gz LSARAFUWZUHYTK-AAEUAGOBSA-N 1 0 246.354 2.363 20 30 BEEDRO Cc1cc(C[NH2+]CCC[C@@H](C)CO)ccc1C#N ZINC000443987713 191111091 /nfs/dbraw/zinc/11/10/91/191111091.db2.gz KBBDBDIUEOHDEL-GFCCVEGCSA-N 1 0 246.354 2.365 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000365650768 350546245 /nfs/dbraw/zinc/54/62/45/350546245.db2.gz STHSVCWHZGRECQ-LBPRGKRZSA-N 1 0 219.332 2.176 20 30 BEEDRO C=C[C@H](CC(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000577517757 365977215 /nfs/dbraw/zinc/97/72/15/365977215.db2.gz KHVGOHGASNFDGT-GFCCVEGCSA-N 1 0 246.354 2.200 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000606897944 350623241 /nfs/dbraw/zinc/62/32/41/350623241.db2.gz OMQSIVWIBPVLCL-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000309498159 350614027 /nfs/dbraw/zinc/61/40/27/350614027.db2.gz KTVDYDOFQONBKZ-FRRDWIJNSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCN(CC=C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000261566185 166329157 /nfs/dbraw/zinc/32/91/57/166329157.db2.gz YSZKPDSWGXNQES-OLZOCXBDSA-N 1 0 236.359 2.095 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000309526994 350702082 /nfs/dbraw/zinc/70/20/82/350702082.db2.gz CJXFVGCZTVYIHL-GFCCVEGCSA-N 1 0 215.300 2.352 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cn2ccccc2n1 ZINC000575195097 350677037 /nfs/dbraw/zinc/67/70/37/350677037.db2.gz BIWVPSAZSOOPOR-LLVKDONJSA-N 1 0 228.299 2.289 20 30 BEEDRO CCOC[C@@H]([NH2+]CC1(CC#N)CC1)C(C)C ZINC000233726081 350683270 /nfs/dbraw/zinc/68/32/70/350683270.db2.gz IMZRTNWQXUEJPY-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(CC)C[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000097209106 350692492 /nfs/dbraw/zinc/69/24/92/350692492.db2.gz KYIQWDFFGSMROO-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340874 350764688 /nfs/dbraw/zinc/76/46/88/350764688.db2.gz HOMWFUJDKBZCNK-NSHDSACASA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CCCO1 ZINC000309553810 350775550 /nfs/dbraw/zinc/77/55/50/350775550.db2.gz JBKKIYPHSKSBBV-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000172838514 191124093 /nfs/dbraw/zinc/12/40/93/191124093.db2.gz AFXXDNZSXGTTGL-JTQLQIEISA-N 1 0 237.372 2.017 20 30 BEEDRO CCc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)on1 ZINC000309615673 323432510 /nfs/dbraw/zinc/43/25/10/323432510.db2.gz CRUNAVDURYJOAU-ONGXEEELSA-N 1 0 219.288 2.019 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000289925092 350994382 /nfs/dbraw/zinc/99/43/82/350994382.db2.gz VECSYOQZUCEACO-PRHODGIISA-N 1 0 227.254 2.162 20 30 BEEDRO Cc1ncc(C[NH2+]CC(C)(C)CCC#N)o1 ZINC000398044072 351002662 /nfs/dbraw/zinc/00/26/62/351002662.db2.gz APZAFVFQLDWSBO-UHFFFAOYSA-N 1 0 221.304 2.403 20 30 BEEDRO CCOCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397630485 350954541 /nfs/dbraw/zinc/95/45/41/350954541.db2.gz ULBMLPSPRDMYNX-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO COCC[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397603578 350957132 /nfs/dbraw/zinc/95/71/32/350957132.db2.gz MNBXADDPZMUWOP-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOC2CCCC2)C1 ZINC000336695223 351021781 /nfs/dbraw/zinc/02/17/81/351021781.db2.gz YUBZTQYJJLLAEC-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)OCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000382807525 351054518 /nfs/dbraw/zinc/05/45/18/351054518.db2.gz ZIVDPBNICFPEAA-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000111256864 191130282 /nfs/dbraw/zinc/13/02/82/191130282.db2.gz XXULRTIOLCLYAJ-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336711635 351080086 /nfs/dbraw/zinc/08/00/86/351080086.db2.gz UMKLYZUTLZSCHW-DJLDLDEBSA-N 1 0 223.238 2.260 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336711636 351080306 /nfs/dbraw/zinc/08/03/06/351080306.db2.gz UMKLYZUTLZSCHW-XHNCKOQMSA-N 1 0 223.238 2.260 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(C)s1 ZINC000336721055 351150712 /nfs/dbraw/zinc/15/07/12/351150712.db2.gz DGXMSHQULLYJIC-NSHDSACASA-N 1 0 225.357 2.331 20 30 BEEDRO CC[C@@]1(C(=O)Nc2cccc(C#N)c2)CCC[NH2+]1 ZINC000215640928 351137800 /nfs/dbraw/zinc/13/78/00/351137800.db2.gz IXZZFSOTUUDRRA-AWEZNQCLSA-N 1 0 243.310 2.029 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1sccc1C ZINC000289975900 351143377 /nfs/dbraw/zinc/14/33/77/351143377.db2.gz XPNXZPUWNHWWQL-UWVGGRQHSA-N 1 0 211.330 2.254 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628339695 351283691 /nfs/dbraw/zinc/28/36/91/351283691.db2.gz UIAYXDNPQXWQPR-UHFFFAOYSA-N 1 0 236.315 2.234 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)no1 ZINC000631125997 351336403 /nfs/dbraw/zinc/33/64/03/351336403.db2.gz KIBDHYLKDZBMAV-AAEUAGOBSA-N 1 0 236.315 2.054 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000168203024 351340359 /nfs/dbraw/zinc/34/03/59/351340359.db2.gz QMRBFQYGTHGZKY-YUMQZZPRSA-N 1 0 236.178 2.379 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cnn(C)c1 ZINC000623592401 363026458 /nfs/dbraw/zinc/02/64/58/363026458.db2.gz LAXGKUJADBJOHV-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C[C@@H](C#N)CN(C)C[C@@H](O)CCc1ccccc1 ZINC000273244361 351513678 /nfs/dbraw/zinc/51/36/78/351513678.db2.gz USWHBKVDYIBRRB-ZFWWWQNUSA-N 1 0 246.354 2.072 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cc2F)CCCO1 ZINC000094801635 363042269 /nfs/dbraw/zinc/04/22/69/363042269.db2.gz FFIIRRYCFVJTMB-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccnn1CCC ZINC000231932937 351471581 /nfs/dbraw/zinc/47/15/81/351471581.db2.gz ZMEFVYJZKJERPV-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO Cc1ccc(O)c(C[NH+]2CCC(C)(C#N)CC2)n1 ZINC000272501214 351480936 /nfs/dbraw/zinc/48/09/36/351480936.db2.gz GWESABBDYMSKQT-UHFFFAOYSA-N 1 0 245.326 2.221 20 30 BEEDRO Cn1ccc(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC000272555833 351484546 /nfs/dbraw/zinc/48/45/46/351484546.db2.gz SBALFCRJRBBHGP-UHFFFAOYSA-N 1 0 217.316 2.151 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](C)O ZINC000386826731 363048369 /nfs/dbraw/zinc/04/83/69/363048369.db2.gz HCENSNGTCLWPFN-MJVIPROJSA-N 1 0 232.327 2.368 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCOC(C)C)cc1C ZINC000273497351 351533338 /nfs/dbraw/zinc/53/33/38/351533338.db2.gz ONHMLXUSMUTKKY-UHFFFAOYSA-N 1 0 249.358 2.455 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000336727540 351515506 /nfs/dbraw/zinc/51/55/06/351515506.db2.gz BZBJCTPIWYULEO-UWVGGRQHSA-N 1 0 239.281 2.492 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CCC(F)(F)F ZINC000336727542 351515722 /nfs/dbraw/zinc/51/57/22/351515722.db2.gz BZBJCTPIWYULEO-ZJUUUORDSA-N 1 0 239.281 2.492 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000577766882 366057788 /nfs/dbraw/zinc/05/77/88/366057788.db2.gz MECSNNQNTOGKTF-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C[NH+](C)CCSCC(C)(C)CC#N ZINC000577769439 366059089 /nfs/dbraw/zinc/05/90/89/366059089.db2.gz LKKCYJBEGYNPDC-UHFFFAOYSA-N 1 0 200.351 2.221 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572355210 323606461 /nfs/dbraw/zinc/60/64/61/323606461.db2.gz JKDMVHJMGUYQGB-NDKCEZKHSA-N 1 0 239.359 2.123 20 30 BEEDRO C[N@H+](CCc1nccs1)[C@H]1CC[C@@H](C#N)C1 ZINC000278598117 351772114 /nfs/dbraw/zinc/77/21/14/351772114.db2.gz LQCNJCQYYDEACF-MNOVXSKESA-N 1 0 235.356 2.310 20 30 BEEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000637992317 351869577 /nfs/dbraw/zinc/86/95/77/351869577.db2.gz CZPLFJCPFGIFOO-ZDUSSCGKSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC(C)(C)OCCO ZINC000336735734 351917682 /nfs/dbraw/zinc/91/76/82/351917682.db2.gz LYZASKNCVCBMJC-LBPRGKRZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000336734209 351887327 /nfs/dbraw/zinc/88/73/27/351887327.db2.gz MZYUYACERJVOIO-FRRDWIJNSA-N 1 0 210.365 2.413 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CCOC1 ZINC000405137377 351898193 /nfs/dbraw/zinc/89/81/93/351898193.db2.gz RETLJYXSMGAXRL-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C1CC[NH+](C[C@@H](OC)C2CCOCC2)CC1 ZINC000638031399 351913306 /nfs/dbraw/zinc/91/33/06/351913306.db2.gz GZTJDCLEJXIMCB-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[NH2+]1 ZINC000083814874 351951997 /nfs/dbraw/zinc/95/19/97/351951997.db2.gz PSQUJOBBCIGUAP-VIFPVBQESA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccccn1 ZINC000083853791 351958585 /nfs/dbraw/zinc/95/85/85/351958585.db2.gz MZXZNDUKBKRPFH-LLVKDONJSA-N 1 0 215.300 2.426 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000405147645 351958712 /nfs/dbraw/zinc/95/87/12/351958712.db2.gz BIGVIPFRKFYGQP-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO CCC[C@H](C[NH2+]CC1(C#N)CCCC1)OC ZINC000405149231 351959359 /nfs/dbraw/zinc/95/93/59/351959359.db2.gz CTCOAABXZFLSKJ-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cccnc1 ZINC000083853785 351960989 /nfs/dbraw/zinc/96/09/89/351960989.db2.gz QIXAWDOCUSVOMS-LLVKDONJSA-N 1 0 215.300 2.426 20 30 BEEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000340193277 352002674 /nfs/dbraw/zinc/00/26/74/352002674.db2.gz XKYTYTZGSQJSCZ-ZJUUUORDSA-N 1 0 237.265 2.340 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC000285496368 352045851 /nfs/dbraw/zinc/04/58/51/352045851.db2.gz XGDMBIBZIVHDDU-GASCZTMLSA-N 1 0 247.313 2.286 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000285726501 352057367 /nfs/dbraw/zinc/05/73/67/352057367.db2.gz QLVVQDAXWRPIBV-NSHDSACASA-N 1 0 221.304 2.481 20 30 BEEDRO C[C@@H](CNc1cc(F)ccc1C#N)C[NH+](C)C ZINC001639972901 1172146908 /nfs/dbraw/zinc/14/69/08/1172146908.db2.gz HWAWSVJJVGBJBS-JTQLQIEISA-N 1 0 235.306 2.307 20 30 BEEDRO CCC1(C[NH2+]Cc2ccc(C#N)s2)COC1 ZINC000393972646 259421544 /nfs/dbraw/zinc/42/15/44/259421544.db2.gz KPLZKCXLKCQQNX-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000286151182 352078120 /nfs/dbraw/zinc/07/81/20/352078120.db2.gz NQHFCKCBDPZVCQ-LBPRGKRZSA-N 1 0 232.331 2.486 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(CO)cc1 ZINC000286164670 352078887 /nfs/dbraw/zinc/07/88/87/352078887.db2.gz OHCDQQXMLONANX-UHFFFAOYSA-N 1 0 217.312 2.023 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000289753832 352197166 /nfs/dbraw/zinc/19/71/66/352197166.db2.gz HSTLXGATEPHVMF-LLVKDONJSA-N 1 0 245.244 2.342 20 30 BEEDRO Cc1cc(C[N@@H+](C)C[C@H](C)CCC#N)no1 ZINC000618887341 352159081 /nfs/dbraw/zinc/15/90/81/352159081.db2.gz VCXHVXQEAXAGBB-SNVBAGLBSA-N 1 0 221.304 2.355 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccccn1 ZINC000618887487 352160908 /nfs/dbraw/zinc/16/09/08/352160908.db2.gz AMEHDPDSIBYWBT-GFCCVEGCSA-N 1 0 217.316 2.453 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CCc1ccccn1 ZINC000618887989 352162600 /nfs/dbraw/zinc/16/26/00/352162600.db2.gz OBTAWHXVEKCUPH-ZDUSSCGKSA-N 1 0 231.343 2.496 20 30 BEEDRO Cc1cnccc1CC[NH2+]C[C@@H](C)CCC#N ZINC000618888387 352166622 /nfs/dbraw/zinc/16/66/22/352166622.db2.gz XGDOBJVCVQQUFE-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000340298528 352167452 /nfs/dbraw/zinc/16/74/52/352167452.db2.gz YUXIHCFCEOVALC-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1ccncc1F ZINC000340304357 352171263 /nfs/dbraw/zinc/17/12/63/352171263.db2.gz DLLWLMXPNMVBGF-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C#C[C@@H]([NH2+]C1Cc2ccccc2C1)C(C)C ZINC000289325509 352180015 /nfs/dbraw/zinc/18/00/15/352180015.db2.gz GEXWKDOVNSQCLI-OAHLLOKOSA-N 1 0 213.324 2.401 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccncc1F ZINC000340318714 352187785 /nfs/dbraw/zinc/18/77/85/352187785.db2.gz WYGXNPDMTPQJHZ-WDEREUQCSA-N 1 0 238.306 2.056 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000320150944 259422129 /nfs/dbraw/zinc/42/21/29/259422129.db2.gz CUDZYRCDSSVGAO-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c1 ZINC000230670991 352219701 /nfs/dbraw/zinc/21/97/01/352219701.db2.gz JTLPXLZJERKRAP-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO COC1CC([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000230674121 352221142 /nfs/dbraw/zinc/22/11/42/352221142.db2.gz MIAKRFZGQCLMQR-FNBIGBAISA-N 1 0 230.311 2.386 20 30 BEEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCCCC#N ZINC000613390022 363154477 /nfs/dbraw/zinc/15/44/77/363154477.db2.gz QQTRXOQSPMYDSL-DZGCQCFKSA-N 1 0 246.354 2.434 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CCSC2)cc1C#N ZINC000230704139 352275537 /nfs/dbraw/zinc/27/55/37/352275537.db2.gz RBYLHBODJGKFFV-GFCCVEGCSA-N 1 0 248.351 2.162 20 30 BEEDRO COc1ccc([C@H](C)[NH2+]CCCC#N)cc1O ZINC000290820428 352243692 /nfs/dbraw/zinc/24/36/92/352243692.db2.gz WWWUNZOIWSZLMW-JTQLQIEISA-N 1 0 234.299 2.355 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000411227921 191171433 /nfs/dbraw/zinc/17/14/33/191171433.db2.gz PWEKPOARBFMEET-CHWSQXEVSA-N 1 0 232.331 2.212 20 30 BEEDRO C=CC1CC[NH+](CCOCC(F)F)CC1 ZINC000189262585 363174652 /nfs/dbraw/zinc/17/46/52/363174652.db2.gz UWOJPSNHPYBFNJ-UHFFFAOYSA-N 1 0 219.275 2.166 20 30 BEEDRO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411315730 191177355 /nfs/dbraw/zinc/17/73/55/191177355.db2.gz JKKIZNSCZVCTMW-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCOC2(CCCC2)C1 ZINC000411324533 191178945 /nfs/dbraw/zinc/17/89/45/191178945.db2.gz KTLFXDWNSVRQOQ-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(COC)o1 ZINC000336742122 352390417 /nfs/dbraw/zinc/39/04/17/352390417.db2.gz WJMKMQYUHKMVBX-UHFFFAOYSA-N 1 0 209.289 2.482 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000411406635 191184900 /nfs/dbraw/zinc/18/49/00/191184900.db2.gz JTDWUVUZTAATRL-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@H](C)CCC#N)CC[C@@H]1C ZINC000411617551 191198418 /nfs/dbraw/zinc/19/84/18/191198418.db2.gz UFVUKXPTGBXVNM-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000411630338 191199456 /nfs/dbraw/zinc/19/94/56/191199456.db2.gz HTNOFGIJIKTQDV-CMPLNLGQSA-N 1 0 230.311 2.141 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CC1CC(F)(F)C1 ZINC000411636959 191201712 /nfs/dbraw/zinc/20/17/12/191201712.db2.gz ABWXMEMZEWSRGZ-UHFFFAOYSA-N 1 0 246.345 2.471 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CC=C(C)C ZINC000411642857 191202575 /nfs/dbraw/zinc/20/25/75/191202575.db2.gz NSLPCRLVJAJJQA-UHFFFAOYSA-N 1 0 210.365 2.392 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)[C@H]1CC[C@H](C#N)C1 ZINC000411649919 191202774 /nfs/dbraw/zinc/20/27/74/191202774.db2.gz SHRVJAOTTKNILU-KBPBESRZSA-N 1 0 235.375 2.118 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)[C@@H]1CC[C@@H](C#N)C1 ZINC000411649933 191203631 /nfs/dbraw/zinc/20/36/31/191203631.db2.gz SHRVJAOTTKNILU-ZIAGYGMSSA-N 1 0 235.375 2.118 20 30 BEEDRO CCC[C@]1(CO)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411740838 191207732 /nfs/dbraw/zinc/20/77/32/191207732.db2.gz YRSYNNRBYSYNRA-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000411725484 191207774 /nfs/dbraw/zinc/20/77/74/191207774.db2.gz FYMRGBHZGRITKD-VHSXEESVSA-N 1 0 232.274 2.240 20 30 BEEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCC#N ZINC000411558726 191195051 /nfs/dbraw/zinc/19/50/51/191195051.db2.gz MHYRZUHXYGKKIQ-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)O[C@H]1C[C@H]([NH2+]CCC#N)C1(C)C ZINC000411802437 191212612 /nfs/dbraw/zinc/21/26/12/191212612.db2.gz NQCORAVWYVZJIZ-QWRGUYRKSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@H](O)C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411745070 191208584 /nfs/dbraw/zinc/20/85/84/191208584.db2.gz NVRZZLKACAZDAS-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411764437 191208713 /nfs/dbraw/zinc/20/87/13/191208713.db2.gz FRBBXTLLQFFOBX-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)[C@H]1C[N@@H+]([C@H](C)CCC#N)CCCO1 ZINC000411773446 191210434 /nfs/dbraw/zinc/21/04/34/191210434.db2.gz STEGRYUAXPFJEX-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO COC[C@]1(C)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411771382 191211101 /nfs/dbraw/zinc/21/11/01/191211101.db2.gz GGBUPABKPGDDQC-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000411790878 191211484 /nfs/dbraw/zinc/21/14/84/191211484.db2.gz HEBCPFDUHIPBLU-RQJABVFESA-N 1 0 236.359 2.304 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638647250 352491079 /nfs/dbraw/zinc/49/10/79/352491079.db2.gz NAKBOSOEBFPGIB-DGCLKSJQSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCOCC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000361742489 133903247 /nfs/dbraw/zinc/90/32/47/133903247.db2.gz FXSZBGWSWNJGGV-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411881455 191225764 /nfs/dbraw/zinc/22/57/64/191225764.db2.gz XIGKOTWEDHSNNS-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]CC1(C#N)CC1)C1CC1 ZINC000411974089 191233435 /nfs/dbraw/zinc/23/34/35/191233435.db2.gz SQYNSRZRIICXPS-JQWIXIFHSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412019050 191236545 /nfs/dbraw/zinc/23/65/45/191236545.db2.gz DGZDIPQRCUXIEG-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC000336744917 352701860 /nfs/dbraw/zinc/70/18/60/352701860.db2.gz AUMIXBAWSFQYSR-SNVBAGLBSA-N 1 0 207.321 2.437 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)[C@H]([C@@H](C)CC)C1 ZINC000270024291 166355355 /nfs/dbraw/zinc/35/53/55/166355355.db2.gz SRQKPOGZFFMBDT-KBPBESRZSA-N 1 0 222.376 2.391 20 30 BEEDRO C=CC[N@H+]1CCN(C)c2ccccc2C1 ZINC000006368202 166354742 /nfs/dbraw/zinc/35/47/42/166354742.db2.gz RKAUKABYQGAIRX-UHFFFAOYSA-N 1 0 202.301 2.124 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000638751278 352684111 /nfs/dbraw/zinc/68/41/11/352684111.db2.gz XYSVVYFXBZLWOU-ONGXEEELSA-N 1 0 205.305 2.035 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000336745687 352732909 /nfs/dbraw/zinc/73/29/09/352732909.db2.gz VVJJOZAAUCJKPP-VXGBXAGGSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)CC(F)F ZINC000336746783 352742860 /nfs/dbraw/zinc/74/28/60/352742860.db2.gz BYXSVVBVZCBAIE-GUBZILKMSA-N 1 0 221.291 2.193 20 30 BEEDRO C[C@@H]1C[N@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000334180208 352768175 /nfs/dbraw/zinc/76/81/75/352768175.db2.gz BYNXUJPJKLYKMB-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO C=C(C)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000334270165 352906458 /nfs/dbraw/zinc/90/64/58/352906458.db2.gz RUKOSAYLLAYBIJ-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC(C)(C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000334262065 352895038 /nfs/dbraw/zinc/89/50/38/352895038.db2.gz UVGOGUGUPPNATK-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638811798 352990146 /nfs/dbraw/zinc/99/01/46/352990146.db2.gz JDRZDXQMNXQOQB-UHFFFAOYSA-N 1 0 236.315 2.234 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638812452 352990573 /nfs/dbraw/zinc/99/05/73/352990573.db2.gz ZEKAZGAJSQQFHF-ZJUUUORDSA-N 1 0 219.275 2.212 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cncs1 ZINC000336748345 352963436 /nfs/dbraw/zinc/96/34/36/352963436.db2.gz DIDNLKHTYUWEDT-VIFPVBQESA-N 1 0 221.329 2.488 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638836230 353021694 /nfs/dbraw/zinc/02/16/94/353021694.db2.gz DFXHAOATFGULJO-MELADBBJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000638874082 353044381 /nfs/dbraw/zinc/04/43/81/353044381.db2.gz DTENFRJOFPWKPP-VIFPVBQESA-N 1 0 248.317 2.078 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C1CC[NH2+]CC1 ZINC000638874679 353044907 /nfs/dbraw/zinc/04/49/07/353044907.db2.gz JVVBYHAYKKILHT-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCCSCC2)C1 ZINC000334430084 353105135 /nfs/dbraw/zinc/10/51/35/353105135.db2.gz ZQUGNLGYWPIEDW-WDEREUQCSA-N 1 0 210.346 2.118 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C#N)nc1 ZINC000310332646 188001091 /nfs/dbraw/zinc/00/10/91/188001091.db2.gz KKKZRJRHHBZYAP-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO C=CCNC(=O)C[NH+]1CCC(CC)(CC)CC1 ZINC000186544714 166365988 /nfs/dbraw/zinc/36/59/88/166365988.db2.gz YSBDOPHDBJPICF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000336752410 353082470 /nfs/dbraw/zinc/08/24/70/353082470.db2.gz DHKSFABXETVDNG-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@H]1OC ZINC000336752413 353082585 /nfs/dbraw/zinc/08/25/85/353082585.db2.gz DHKSFABXETVDNG-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000428384039 538108066 /nfs/dbraw/zinc/10/80/66/538108066.db2.gz NKBBXUJSQXSGJS-UHFFFAOYSA-N 1 0 233.237 2.063 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSC2)s1 ZINC000226266992 188010947 /nfs/dbraw/zinc/01/09/47/188010947.db2.gz RBUZZCCTGHWZDA-MRVPVSSYSA-N 1 0 224.354 2.215 20 30 BEEDRO CC(C)C[C@H](CNc1cccc(C#N)n1)[NH+](C)C ZINC000265570967 188021151 /nfs/dbraw/zinc/02/11/51/188021151.db2.gz VAECZRGAQSGWTK-CYBMUJFWSA-N 1 0 246.358 2.341 20 30 BEEDRO N#Cc1ccc(CN2CCO[C@H]3CCC[C@H]32)s1 ZINC000271122789 188025062 /nfs/dbraw/zinc/02/50/62/188025062.db2.gz KYUUQAUFXCUOIE-OLZOCXBDSA-N 1 0 248.351 2.373 20 30 BEEDRO CC(C)(C)[C@@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000280477786 188031939 /nfs/dbraw/zinc/03/19/39/188031939.db2.gz NULQJPCFKLTZTJ-ZDUSSCGKSA-N 1 0 248.326 2.398 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000166473617 188052215 /nfs/dbraw/zinc/05/22/15/188052215.db2.gz OTTOMVOXHQJXDU-NWDGAFQWSA-N 1 0 217.312 2.325 20 30 BEEDRO CC#CCC[NH2+]C/C=C\c1ccncc1 ZINC000336754937 353146060 /nfs/dbraw/zinc/14/60/60/353146060.db2.gz ISGIJXNZRCVMTG-WAYWQWQTSA-N 1 0 200.285 2.098 20 30 BEEDRO COC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000336759409 353169584 /nfs/dbraw/zinc/16/95/84/353169584.db2.gz IXHMKSZMRFFBNA-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1(C)C ZINC000336760083 353169979 /nfs/dbraw/zinc/16/99/79/353169979.db2.gz JMIGNQPVUYSFGP-NOOOWODRSA-N 1 0 222.332 2.082 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000051060948 353173543 /nfs/dbraw/zinc/17/35/43/353173543.db2.gz CAIHLTGNLRKHQA-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO CN(C)c1cc[nH+]cc1C(=O)NCC(C)(C)C#N ZINC000330834986 353184757 /nfs/dbraw/zinc/18/47/57/353184757.db2.gz ZZTABAWOBLHJTI-UHFFFAOYSA-N 1 0 246.314 2.002 20 30 BEEDRO COCCC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336763134 353213921 /nfs/dbraw/zinc/21/39/21/353213921.db2.gz LZNDNSFYQVRFRV-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000336762223 353199682 /nfs/dbraw/zinc/19/96/82/353199682.db2.gz NZQVOFDOHDJFLJ-LURJTMIESA-N 1 0 219.210 2.093 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000336762859 353210640 /nfs/dbraw/zinc/21/06/40/353210640.db2.gz OETRDADGDZUZJE-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO Cc1cncc(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000331267228 353232224 /nfs/dbraw/zinc/23/22/24/353232224.db2.gz RDXHZPCPGUJQBY-UHFFFAOYSA-N 1 0 235.331 2.083 20 30 BEEDRO C=CCN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000165242873 353234916 /nfs/dbraw/zinc/23/49/16/353234916.db2.gz OKPGTBIOLLTVGE-CYBMUJFWSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 ZINC000350220552 133948327 /nfs/dbraw/zinc/94/83/27/133948327.db2.gz GENMXNXELMZYEW-VXGBXAGGSA-N 1 0 209.333 2.452 20 30 BEEDRO Cc1oc(C#N)cc1C(=O)NCC[N@@H+](C)C(C)C ZINC000331216209 353230735 /nfs/dbraw/zinc/23/07/35/353230735.db2.gz DOEVLDOUGSXOHR-UHFFFAOYSA-N 1 0 249.314 2.105 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000336764603 353258341 /nfs/dbraw/zinc/25/83/41/353258341.db2.gz QHEAGHLRKRFTTB-QJPTWQEYSA-N 1 0 211.349 2.338 20 30 BEEDRO C#CC[N@@H+](CC=C)Cc1ccc(OC)cc1 ZINC000054271900 353251558 /nfs/dbraw/zinc/25/15/58/353251558.db2.gz MUXCLYBSKBUJAG-UHFFFAOYSA-N 1 0 215.296 2.316 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000336768070 353277558 /nfs/dbraw/zinc/27/75/58/353277558.db2.gz UIEVFRSCTBNVCS-BDAKNGLRSA-N 1 0 209.293 2.383 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336768078 353277570 /nfs/dbraw/zinc/27/75/70/353277570.db2.gz UIOOUUOAIKQTMH-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCCC[N@@H+](CC(=O)OCC)C(C)C ZINC000071278114 353264589 /nfs/dbraw/zinc/26/45/89/353264589.db2.gz HASCXAOCJRPOSZ-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1ccc(C)cc1 ZINC000127167723 353265102 /nfs/dbraw/zinc/26/51/02/353265102.db2.gz SCUAMZNQIAUMDU-ZDUSSCGKSA-N 1 0 205.301 2.146 20 30 BEEDRO C#CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000073172070 353281523 /nfs/dbraw/zinc/28/15/23/353281523.db2.gz SYCFQPISOVDMKF-UHFFFAOYSA-N 1 0 238.674 2.313 20 30 BEEDRO C=CCOc1cccc(C[N@H+](CCC)CCO)c1 ZINC000161209099 353282700 /nfs/dbraw/zinc/28/27/00/353282700.db2.gz MNAHXUYGQUWHKS-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=C(C)CN(CC)CC(=O)c1cccn1C ZINC000172538887 188252254 /nfs/dbraw/zinc/25/22/54/188252254.db2.gz SFXHJSPHLANXBJ-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000037738717 188255287 /nfs/dbraw/zinc/25/52/87/188255287.db2.gz DMYJNDPWVQSDTR-CYBMUJFWSA-N 1 0 247.338 2.378 20 30 BEEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268209318 188260575 /nfs/dbraw/zinc/26/05/75/188260575.db2.gz ZVZKONYHYNFUMH-AWEZNQCLSA-N 1 0 217.312 2.154 20 30 BEEDRO C#CCC[N@H+]1C[C@H](C)OC[C@@H]1c1ccccc1 ZINC000269896982 188262143 /nfs/dbraw/zinc/26/21/43/188262143.db2.gz NGWCXHNJLRTVPC-DZGCQCFKSA-N 1 0 229.323 2.472 20 30 BEEDRO C#CCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000271828388 188262926 /nfs/dbraw/zinc/26/29/26/188262926.db2.gz TZGLFCOMXKNTFT-CQSZACIVSA-N 1 0 217.312 2.113 20 30 BEEDRO C=C(C)CC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000274730371 188264681 /nfs/dbraw/zinc/26/46/81/188264681.db2.gz BVVROEHYHSZRNE-UHFFFAOYSA-N 1 0 245.370 2.165 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000275998571 188265462 /nfs/dbraw/zinc/26/54/62/188265462.db2.gz OLQAGZBNZAIINQ-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000336771384 353306853 /nfs/dbraw/zinc/30/68/53/353306853.db2.gz XHLFRYULQJFFBI-XHDPSFHLSA-N 1 0 229.389 2.232 20 30 BEEDRO C#CC[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000263764934 188260043 /nfs/dbraw/zinc/26/00/43/188260043.db2.gz VKPTZGOHWJGSEQ-UHFFFAOYSA-N 1 0 216.328 2.375 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000336773606 353331303 /nfs/dbraw/zinc/33/13/03/353331303.db2.gz YUOHYHDNZFYSCX-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000076397007 353334050 /nfs/dbraw/zinc/33/40/50/353334050.db2.gz GEAQTZQNLSBDFG-GFCCVEGCSA-N 1 0 242.326 2.095 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cccnc1 ZINC000129992293 353338201 /nfs/dbraw/zinc/33/82/01/353338201.db2.gz DBTOFIPZTNQCHY-NSHDSACASA-N 1 0 220.341 2.099 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[N@H+](C)[C@H](C)C[S@@](C)=O ZINC000253190066 353317224 /nfs/dbraw/zinc/31/72/24/353317224.db2.gz RCMDGFLEFWIZFJ-OZTPJHRESA-N 1 0 231.405 2.286 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000075596047 353320625 /nfs/dbraw/zinc/32/06/25/353320625.db2.gz DZCXMRJUNUKGOZ-CQSZACIVSA-N 1 0 219.328 2.446 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000336772854 353322045 /nfs/dbraw/zinc/32/20/45/353322045.db2.gz YKKHQHXAHWBJDB-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c(F)c1 ZINC000132631220 188318784 /nfs/dbraw/zinc/31/87/84/188318784.db2.gz GHVXMYNBSBBZMV-BNOWGMLFSA-N 1 0 246.285 2.107 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H](C)c1nccs1 ZINC000130689842 353356866 /nfs/dbraw/zinc/35/68/66/353356866.db2.gz LWVWSXAKDXCNIE-SNVBAGLBSA-N 1 0 208.330 2.202 20 30 BEEDRO C=CCOCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000131473593 353367528 /nfs/dbraw/zinc/36/75/28/353367528.db2.gz FPGFIEBGEPQVCF-UHFFFAOYSA-N 1 0 248.326 2.067 20 30 BEEDRO C#CC[N@H+](C)CCCc1cccc(F)c1 ZINC000143705681 188327412 /nfs/dbraw/zinc/32/74/12/188327412.db2.gz AMSQVRKQDVIHBU-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(CC)o1 ZINC000320540703 259443840 /nfs/dbraw/zinc/44/38/40/259443840.db2.gz QWMRIUBKBWPXIU-NSHDSACASA-N 1 0 223.316 2.259 20 30 BEEDRO CC#CCC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000155815388 188330172 /nfs/dbraw/zinc/33/01/72/188330172.db2.gz UVRSDARIWJZNBW-OAHLLOKOSA-N 1 0 231.339 2.455 20 30 BEEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)o2)[C@H]2CCO[C@@H]21 ZINC000174424934 188340597 /nfs/dbraw/zinc/34/05/97/188340597.db2.gz KPMNVPWVEWEGQQ-UPJWGTAASA-N 1 0 246.310 2.054 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccoc1C(=O)OC ZINC000076734659 353340683 /nfs/dbraw/zinc/34/06/83/353340683.db2.gz KNBIQLGCXXFDDU-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO CC#CCC[N@H+](C)CCc1ncc(C)s1 ZINC000157114684 188331241 /nfs/dbraw/zinc/33/12/41/188331241.db2.gz IOQRCRDCIWUIML-UHFFFAOYSA-N 1 0 222.357 2.339 20 30 BEEDRO C#CCN1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000077371873 353349841 /nfs/dbraw/zinc/34/98/41/353349841.db2.gz IDGQYPYSIWALDO-OAHLLOKOSA-N 1 0 242.366 2.216 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000619673307 363216610 /nfs/dbraw/zinc/21/66/10/363216610.db2.gz CXUOPQIFYCRUKD-GJZGRUSLSA-N 1 0 244.338 2.003 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000180459905 353393583 /nfs/dbraw/zinc/39/35/83/353393583.db2.gz FXIGBNCFDSUIMF-NSHDSACASA-N 1 0 239.388 2.473 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000090883954 353395066 /nfs/dbraw/zinc/39/50/66/353395066.db2.gz BOZYJJZUWMRCMW-ZDUSSCGKSA-N 1 0 237.347 2.054 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000090883817 353395153 /nfs/dbraw/zinc/39/51/53/353395153.db2.gz YRUXAHHLNMJXPZ-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO CCC(N)=[NH+]OC[C@@H](OC)c1ccccc1 ZINC000283464895 535227708 /nfs/dbraw/zinc/22/77/08/535227708.db2.gz RYKJJKCHVOTMFF-LLVKDONJSA-N 1 0 222.288 2.073 20 30 BEEDRO CC#CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000334508452 353378312 /nfs/dbraw/zinc/37/83/12/353378312.db2.gz FJYQVUSZEPLWFX-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO N#Cc1cc(F)cc(OCC2CC[NH2+]CC2)c1 ZINC000310423442 188349027 /nfs/dbraw/zinc/34/90/27/188349027.db2.gz LLSGPMCXAOQOLS-UHFFFAOYSA-N 1 0 234.274 2.076 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000180188733 353382803 /nfs/dbraw/zinc/38/28/03/353382803.db2.gz VJUSONSAJHCJPO-OAHLLOKOSA-N 1 0 247.338 2.208 20 30 BEEDRO CC(C)[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191240934 188351300 /nfs/dbraw/zinc/35/13/00/188351300.db2.gz YBDSZZPOQNNMMG-UHFFFAOYSA-N 1 0 217.316 2.270 20 30 BEEDRO C=CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019875899 188351954 /nfs/dbraw/zinc/35/19/54/188351954.db2.gz TYBOOZJRBVFJJJ-SECBINFHSA-N 1 0 207.273 2.237 20 30 BEEDRO N#CC1(CN2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000343297703 353419961 /nfs/dbraw/zinc/41/99/61/353419961.db2.gz CHZQBRJTZISREN-AWEZNQCLSA-N 1 0 241.338 2.477 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180743004 353403114 /nfs/dbraw/zinc/40/31/14/353403114.db2.gz XYWNZZDQRGAPPL-HNNXBMFYSA-N 1 0 246.354 2.373 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000091630063 353410050 /nfs/dbraw/zinc/41/00/50/353410050.db2.gz CUIOQDYYLMAKCM-LBPRGKRZSA-N 1 0 246.358 2.369 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccccc1CC ZINC000081604795 353410683 /nfs/dbraw/zinc/41/06/83/353410683.db2.gz CLQGPOXVOBATSR-UHFFFAOYSA-N 1 0 231.343 2.229 20 30 BEEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)O ZINC000264449987 188370694 /nfs/dbraw/zinc/37/06/94/188370694.db2.gz MYYRWSSPDSEYEJ-GFCCVEGCSA-N 1 0 232.327 2.149 20 30 BEEDRO C=CC[NH2+]Cc1ccccc1OCCCCO ZINC000639088832 353442459 /nfs/dbraw/zinc/44/24/59/353442459.db2.gz LMZFJOPHHFUOOU-UHFFFAOYSA-N 1 0 235.327 2.114 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000281402681 353446798 /nfs/dbraw/zinc/44/67/98/353446798.db2.gz PRKZLCCMIBYQRA-LLVKDONJSA-N 1 0 249.358 2.161 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000639091854 353454351 /nfs/dbraw/zinc/45/43/51/353454351.db2.gz SDMWCIGOALWYJM-UHFFFAOYSA-N 1 0 246.310 2.139 20 30 BEEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC#Cc1ccccc1 ZINC000191158100 353438688 /nfs/dbraw/zinc/43/86/88/353438688.db2.gz HEVWRWLGWYDZSK-ZIAGYGMSSA-N 1 0 243.350 2.272 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1Cc2ccccc2C1 ZINC000320633282 259445130 /nfs/dbraw/zinc/44/51/30/259445130.db2.gz KZDUAQIJQWKSAW-AWEZNQCLSA-N 1 0 231.339 2.071 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(C)s1 ZINC000134401742 353494268 /nfs/dbraw/zinc/49/42/68/353494268.db2.gz VNTRTMKSCLLGBA-SNVBAGLBSA-N 1 0 238.356 2.009 20 30 BEEDRO C=CCCC[N@@H+](C)CCc1ccnn1CC ZINC000284429146 353512708 /nfs/dbraw/zinc/51/27/08/353512708.db2.gz PFGSYIZVZSUHAX-UHFFFAOYSA-N 1 0 221.348 2.344 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](OC)c1ccccc1 ZINC000284480116 353513472 /nfs/dbraw/zinc/51/34/72/353513472.db2.gz TUXNVLKDZYELCW-CQSZACIVSA-N 1 0 217.312 2.329 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](OC)[C@H](C)CC ZINC000639101053 353529594 /nfs/dbraw/zinc/52/95/94/353529594.db2.gz UMGOYSMQQSGTJN-OLZOCXBDSA-N 1 0 229.364 2.182 20 30 BEEDRO C#CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285364891 353530802 /nfs/dbraw/zinc/53/08/02/353530802.db2.gz QLOXAVQMAAWMMS-UHFFFAOYSA-N 1 0 232.283 2.092 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192006780 353531360 /nfs/dbraw/zinc/53/13/60/353531360.db2.gz RAIHJUYKZZSWDU-CHWSQXEVSA-N 1 0 246.354 2.185 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285309184 353532880 /nfs/dbraw/zinc/53/28/80/353532880.db2.gz HYBZEHLCAAFAPF-TZMCWYRMSA-N 1 0 249.358 2.264 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192058325 353534610 /nfs/dbraw/zinc/53/46/10/353534610.db2.gz NEPSLZGAJYYXCT-NWDGAFQWSA-N 1 0 226.364 2.175 20 30 BEEDRO C#CCCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285602083 353536939 /nfs/dbraw/zinc/53/69/39/353536939.db2.gz JVADYAMNLJPNBE-UHFFFAOYSA-N 1 0 248.370 2.447 20 30 BEEDRO C=CCCC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285678447 353539132 /nfs/dbraw/zinc/53/91/32/353539132.db2.gz QXTANRCATPZIOJ-UHFFFAOYSA-N 1 0 231.343 2.475 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000285726498 353540982 /nfs/dbraw/zinc/54/09/82/353540982.db2.gz QLVVQDAXWRPIBV-LLVKDONJSA-N 1 0 221.304 2.481 20 30 BEEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC#Cc1ccccc1 ZINC000192120035 353542815 /nfs/dbraw/zinc/54/28/15/353542815.db2.gz INZJMAYQVQSUHF-ZBFHGGJFSA-N 1 0 243.350 2.273 20 30 BEEDRO CC#CCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285449305 353543323 /nfs/dbraw/zinc/54/33/23/353543323.db2.gz YJFHDZINJNECGJ-UHFFFAOYSA-N 1 0 246.310 2.483 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCSC1 ZINC000192131363 353543582 /nfs/dbraw/zinc/54/35/82/353543582.db2.gz IUQKEXXPPSIHEL-CQSZACIVSA-N 1 0 231.364 2.475 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285494494 353544121 /nfs/dbraw/zinc/54/41/21/353544121.db2.gz CHEQPYBYRRZUHI-LLVKDONJSA-N 1 0 233.311 2.296 20 30 BEEDRO CC#CC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000283390448 353499347 /nfs/dbraw/zinc/49/93/47/353499347.db2.gz ANYFCMPFNWVIJM-UHFFFAOYSA-N 1 0 244.338 2.490 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H](C)O ZINC000192971792 353576104 /nfs/dbraw/zinc/57/61/04/353576104.db2.gz LHSYCNLQLQLEOE-LLVKDONJSA-N 1 0 223.291 2.195 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnccc1OC ZINC000287712988 353584648 /nfs/dbraw/zinc/58/46/48/353584648.db2.gz JTLBJKNAIHYLRT-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000399009633 353586878 /nfs/dbraw/zinc/58/68/78/353586878.db2.gz WOSXUOKDSPOGBG-ZDUSSCGKSA-N 1 0 232.352 2.348 20 30 BEEDRO C=C(C)CC[N@@H+](CCOC)Cc1ccccn1 ZINC000287221696 353573870 /nfs/dbraw/zinc/57/38/70/353573870.db2.gz FNPBDTISGNKCAA-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(C(C)C)c1)C(C)C ZINC000289657953 353624277 /nfs/dbraw/zinc/62/42/77/353624277.db2.gz YKPRDHGFJBDPQK-CYBMUJFWSA-N 1 0 219.332 2.211 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000289659740 353624871 /nfs/dbraw/zinc/62/48/71/353624871.db2.gz GQZZNHCUKSHXLL-OUCADQQQSA-N 1 0 249.354 2.324 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289398457 353627149 /nfs/dbraw/zinc/62/71/49/353627149.db2.gz NPDYZPPMRSVVAH-CVEARBPZSA-N 1 0 242.366 2.435 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000289370616 353627159 /nfs/dbraw/zinc/62/71/59/353627159.db2.gz LLEPEUVBWDSQOQ-GFCCVEGCSA-N 1 0 247.338 2.343 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000289399381 353627807 /nfs/dbraw/zinc/62/78/07/353627807.db2.gz OMBBCRWFTARIRD-CQSZACIVSA-N 1 0 230.286 2.445 20 30 BEEDRO COC1CCC([N@H+](C)CC2(C#N)CC2)CC1 ZINC000343313415 353627829 /nfs/dbraw/zinc/62/78/29/353627829.db2.gz HRKMEOINCZLPDO-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)CO)c1 ZINC000289499352 353629685 /nfs/dbraw/zinc/62/96/85/353629685.db2.gz SQOMKLWYECNZRK-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(C)s1)C(C)C ZINC000289516381 353629911 /nfs/dbraw/zinc/62/99/11/353629911.db2.gz OYOYJWGRUMEHAT-NSHDSACASA-N 1 0 208.330 2.199 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC)cc1)C(C)C ZINC000289539671 353631170 /nfs/dbraw/zinc/63/11/70/353631170.db2.gz QKXTUPFIFYULGB-CQSZACIVSA-N 1 0 245.322 2.221 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000289543842 353632191 /nfs/dbraw/zinc/63/21/91/353632191.db2.gz QQWOOWYVMQSFBM-NEPJUHHUSA-N 1 0 247.338 2.333 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000289609751 353633519 /nfs/dbraw/zinc/63/35/19/353633519.db2.gz VQMBVZNVPSVRBF-NSHDSACASA-N 1 0 245.322 2.443 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000289610143 353633668 /nfs/dbraw/zinc/63/36/68/353633668.db2.gz DBDDBLQFBRCCMU-TZMCWYRMSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000289754293 353634197 /nfs/dbraw/zinc/63/41/97/353634197.db2.gz LFYPAOMVEFDYDQ-DGCLKSJQSA-N 1 0 235.327 2.201 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000289800964 353636785 /nfs/dbraw/zinc/63/67/85/353636785.db2.gz KXWCMQPFFJFUDF-ZDUSSCGKSA-N 1 0 247.338 2.037 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000289823121 353639447 /nfs/dbraw/zinc/63/94/47/353639447.db2.gz PBWFZPODOGUNTP-HRDQMINSSA-N 1 0 235.302 2.208 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC=C(COC)CC2)cc1 ZINC000289878217 353640303 /nfs/dbraw/zinc/64/03/03/353640303.db2.gz WPRKVCWZTNRLIB-UHFFFAOYSA-N 1 0 241.334 2.446 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)cc1 ZINC000289903707 353643302 /nfs/dbraw/zinc/64/33/02/353643302.db2.gz XQGWZHLMGZSOTE-INIZCTEOSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1 ZINC000289961597 353644996 /nfs/dbraw/zinc/64/49/96/353644996.db2.gz CBXNNDZVCZNMJQ-CYBMUJFWSA-N 1 0 239.322 2.043 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCO[C@@H]21 ZINC000366819206 353649245 /nfs/dbraw/zinc/64/92/45/353649245.db2.gz FVZNVHWWMAIYFW-TUAOUCFPSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CCCCN(C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000135975490 353610675 /nfs/dbraw/zinc/61/06/75/353610675.db2.gz TUCHOGCXHQZMPX-OAHLLOKOSA-N 1 0 246.354 2.285 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000289339552 353612897 /nfs/dbraw/zinc/61/28/97/353612897.db2.gz HQLVFUOZHDDILK-RYUDHWBXSA-N 1 0 236.363 2.457 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2c1OCCO2)C(C)C ZINC000289338569 353613266 /nfs/dbraw/zinc/61/32/66/353613266.db2.gz HPCIBBOVAKEHOQ-ZDUSSCGKSA-N 1 0 245.322 2.205 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2c(c1)ncn2C)C(C)C ZINC000289340690 353614399 /nfs/dbraw/zinc/61/43/99/353614399.db2.gz HUZOEDSPPTYKOW-ZDUSSCGKSA-N 1 0 241.338 2.321 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000289035723 353616240 /nfs/dbraw/zinc/61/62/40/353616240.db2.gz HJMGSMAEHYKMEP-JKSUJKDBSA-N 1 0 241.334 2.421 20 30 BEEDRO N#CC1(C[N@H+]2CCCC[C@H]2C2(O)CC2)CCC1 ZINC000334515997 353616300 /nfs/dbraw/zinc/61/63/00/353616300.db2.gz SXOBDCNDIGYBJR-LBPRGKRZSA-N 1 0 234.343 2.060 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000289120300 353618426 /nfs/dbraw/zinc/61/84/26/353618426.db2.gz DMCIELFLCAXVBX-ZDUSSCGKSA-N 1 0 232.283 2.342 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCSCC2)cc1 ZINC000289209315 353620287 /nfs/dbraw/zinc/62/02/87/353620287.db2.gz WIISJYUCTNEOIX-UHFFFAOYSA-N 1 0 217.337 2.217 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1cnccn1 ZINC000184422711 353657731 /nfs/dbraw/zinc/65/77/31/353657731.db2.gz XAKBIZZGZMPHFJ-LLVKDONJSA-N 1 0 205.305 2.436 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343321431 353682833 /nfs/dbraw/zinc/68/28/33/353682833.db2.gz NGQINJJFVZGHPF-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291395902 353691771 /nfs/dbraw/zinc/69/17/71/353691771.db2.gz BOLJQWIVOCTLDY-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO CC#CCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000184969463 353734252 /nfs/dbraw/zinc/73/42/52/353734252.db2.gz ZURIZBOXHHUGOD-ZDUSSCGKSA-N 1 0 245.322 2.172 20 30 BEEDRO CC#CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292251399 353707234 /nfs/dbraw/zinc/70/72/34/353707234.db2.gz XSRLGVACXGBBDW-UHFFFAOYSA-N 1 0 232.283 2.443 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)ncn1 ZINC000292122015 353710950 /nfs/dbraw/zinc/71/09/50/353710950.db2.gz FLSVATDTECRVES-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO CC#CCN(C)Cc1c(C)cc(C)nc1OC ZINC000293135664 353735014 /nfs/dbraw/zinc/73/50/14/353735014.db2.gz NEWJWWYKVNJOLJ-UHFFFAOYSA-N 1 0 232.327 2.162 20 30 BEEDRO C=CC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000292322566 353716361 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KTZYPAVNWKSEHV-MCIONIFRSA-N 1 0 241.375 2.372 20 30 BEEDRO N#CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000032103579 181032583 /nfs/dbraw/zinc/03/25/83/181032583.db2.gz NSJCZBKRUTWFHS-UHFFFAOYSA-N 1 0 248.301 2.440 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000343509485 353922912 /nfs/dbraw/zinc/92/29/12/353922912.db2.gz REFYFGGHOQYFKX-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)C[C@H](C)O ZINC000343510482 353923515 /nfs/dbraw/zinc/92/35/15/353923515.db2.gz LXCDGRVJKUSOKR-ZDUSSCGKSA-N 1 0 246.354 2.344 20 30 BEEDRO N#CCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000040444275 181036204 /nfs/dbraw/zinc/03/62/04/181036204.db2.gz UCDAGXCGUJKZLM-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)CCC)C1=O ZINC000343616404 353946311 /nfs/dbraw/zinc/94/63/11/353946311.db2.gz SYNJGRQGPGEIMQ-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccc1 ZINC000343802699 354006603 /nfs/dbraw/zinc/00/66/03/354006603.db2.gz DXDUCFROAIEDIA-UKRRQHHQSA-N 1 0 230.355 2.240 20 30 BEEDRO CC[N@H+](CCC(C)(C)OC)C[C@H](C)C#N ZINC000230413970 363309666 /nfs/dbraw/zinc/30/96/66/363309666.db2.gz LBHWCMPDMNHWFA-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000306237476 181059699 /nfs/dbraw/zinc/05/96/99/181059699.db2.gz IEIDBCZEBGJRRV-VWYCJHECSA-N 1 0 210.346 2.164 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCSC2)C1 ZINC000306237466 181060155 /nfs/dbraw/zinc/06/01/55/181060155.db2.gz IEIDBCZEBGJRRV-GMTAPVOTSA-N 1 0 210.346 2.164 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000336481420 181060820 /nfs/dbraw/zinc/06/08/20/181060820.db2.gz XQEKGXBYJVEZTD-HBIQZDMRSA-N 1 0 235.331 2.362 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000336481423 181061097 /nfs/dbraw/zinc/06/10/97/181061097.db2.gz XQEKGXBYJVEZTD-YYJSSNLHSA-N 1 0 235.331 2.362 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344027908 354089525 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/nfs/dbraw/zinc/11/19/73/181111973.db2.gz SMEUKMWAXWBVGO-LLVKDONJSA-N 1 0 235.718 2.376 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]CC2CC2)c1 ZINC000020037532 181113194 /nfs/dbraw/zinc/11/31/94/181113194.db2.gz XDTZFMWKDYCLRW-UHFFFAOYSA-N 1 0 204.248 2.197 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)CCCC[NH+](C)C ZINC000519184507 259454331 /nfs/dbraw/zinc/45/43/31/259454331.db2.gz HGBYFHDOYVRGGU-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000334641825 354397899 /nfs/dbraw/zinc/39/78/99/354397899.db2.gz AGAKNWVJARTTKB-ZDUSSCGKSA-N 1 0 229.327 2.437 20 30 BEEDRO N#Cc1ccc(N[C@H](C[NH3+])C2CCCCC2)nc1 ZINC000130854730 181125378 /nfs/dbraw/zinc/12/53/78/181125378.db2.gz QYEVCXAVGPJYCS-CYBMUJFWSA-N 1 0 244.342 2.273 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1(C)C ZINC000349422499 366192125 /nfs/dbraw/zinc/19/21/25/366192125.db2.gz SCBNWCZBTOTHSG-NAWOPXAZSA-N 1 0 236.359 2.328 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(C)(C)C1 ZINC000334679595 354424947 /nfs/dbraw/zinc/42/49/47/354424947.db2.gz QDMYRJSEWJYILC-NEPJUHHUSA-N 1 0 209.333 2.498 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CC1(O)CCC1)CC2 ZINC000335330163 181132300 /nfs/dbraw/zinc/13/23/00/181132300.db2.gz NYNZFUNVXFPTRG-CQSZACIVSA-N 1 0 242.322 2.050 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000224381412 181138181 /nfs/dbraw/zinc/13/81/81/181138181.db2.gz XNCFROYHBJCOIP-CYBMUJFWSA-N 1 0 232.352 2.401 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCc2cscn2)c1 ZINC000111626627 181138308 /nfs/dbraw/zinc/13/83/08/181138308.db2.gz PEFUFEODQOXOAI-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO N#Cc1cccc(CC[NH2+]Cc2ccccn2)c1 ZINC000341462174 181136818 /nfs/dbraw/zinc/13/68/18/181136818.db2.gz NNADECPMQBDQHO-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO COC(=O)CC[N@H+](CCC(C)(C)C#N)C(C)C ZINC000345728184 354745311 /nfs/dbraw/zinc/74/53/11/354745311.db2.gz MDHLVPJQRQPBNQ-UHFFFAOYSA-N 1 0 240.347 2.200 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@H](C)C1CCCCC1 ZINC000393890571 354792198 /nfs/dbraw/zinc/79/21/98/354792198.db2.gz ZMYWDJNEKAAEGT-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000379455850 358489268 /nfs/dbraw/zinc/48/92/68/358489268.db2.gz NHTPBDXIBIBMHK-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO CC[NH+](CC)CCC(=O)Nc1ccccc1C#N ZINC000019846679 354741112 /nfs/dbraw/zinc/74/11/12/354741112.db2.gz GMUXWIXKOCGEFU-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CC[N@H+](CCO)CCCCC(C)(C)C#N ZINC000233462978 363402291 /nfs/dbraw/zinc/40/22/91/363402291.db2.gz XDENLXVELVMJTD-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000366918448 354806275 /nfs/dbraw/zinc/80/62/75/354806275.db2.gz WAQPSAPMHJYFIY-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346292879 354877814 /nfs/dbraw/zinc/87/78/14/354877814.db2.gz JAKKSEJWVKIUBT-NXEZZACHSA-N 1 0 235.331 2.181 20 30 BEEDRO N#CCCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000366926064 354839413 /nfs/dbraw/zinc/83/94/13/354839413.db2.gz IUICBFPAKLCOSH-OAHLLOKOSA-N 1 0 244.338 2.104 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCC(C)(C)C#N ZINC000235439199 363443504 /nfs/dbraw/zinc/44/35/04/363443504.db2.gz SLAFGIGGSSTCJE-CMPLNLGQSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CO)[N@H+](C)CCCCC(C)(C)C#N ZINC000235460875 363444839 /nfs/dbraw/zinc/44/48/39/363444839.db2.gz HKFWYVKKNUIREY-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO CC(C)n1ccc(C[C@H](C)[NH2+]CCCC#N)n1 ZINC000346334797 354899326 /nfs/dbraw/zinc/89/93/26/354899326.db2.gz OEFWAXSTCQYIJZ-LBPRGKRZSA-N 1 0 234.347 2.288 20 30 BEEDRO N#Cc1ccnc(N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000130841021 181156957 /nfs/dbraw/zinc/15/69/57/181156957.db2.gz XXXOPRUPHHKWHP-CYBMUJFWSA-N 1 0 244.342 2.273 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000335175529 354943283 /nfs/dbraw/zinc/94/32/83/354943283.db2.gz WAUITQKPLRQCAU-STQMWFEESA-N 1 0 230.336 2.248 20 30 BEEDRO C=CCOc1ccc(CN2CC[C@@H]([NH2+]C)C2)cc1 ZINC000346631781 354994095 /nfs/dbraw/zinc/99/40/95/354994095.db2.gz DKTJSTNVXHFWOC-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCOc1ccccc1CN1CCC[NH2+]CC1 ZINC000346636963 355014960 /nfs/dbraw/zinc/01/49/60/355014960.db2.gz INJZXFWNDGELKD-UHFFFAOYSA-N 1 0 246.354 2.047 20 30 BEEDRO N#Cc1ncccc1NCC[NH+]1CCCCCC1 ZINC000130977674 181171160 /nfs/dbraw/zinc/17/11/60/181171160.db2.gz QHTRDXOFRZNUDG-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335247876 355164505 /nfs/dbraw/zinc/16/45/05/355164505.db2.gz FEOGVNLBGRUJQN-GXTWGEPZSA-N 1 0 235.375 2.141 20 30 BEEDRO C=C(C)CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000352002200 134033703 /nfs/dbraw/zinc/03/37/03/134033703.db2.gz FYCKAVBKBOHZPM-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000335250402 355170412 /nfs/dbraw/zinc/17/04/12/355170412.db2.gz WWLGHIBHIINGBW-RISCZKNCSA-N 1 0 226.323 2.436 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000346964965 355172288 /nfs/dbraw/zinc/17/22/88/355172288.db2.gz NDNXAMHAJBAZQW-LBPRGKRZSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000335241081 355175793 /nfs/dbraw/zinc/17/57/93/355175793.db2.gz PMTZDUKPLWKPKH-CYBMUJFWSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@](C)(CC)OC ZINC000639232505 355215587 /nfs/dbraw/zinc/21/55/87/355215587.db2.gz JXFHGTAUMMXXPW-FRRDWIJNSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1CCSCC1 ZINC000639239650 355223607 /nfs/dbraw/zinc/22/36/07/355223607.db2.gz YXDQGZKKVVZLCK-LBPRGKRZSA-N 1 0 229.389 2.046 20 30 BEEDRO Cc1cc(NCC(C)(C)CC#N)cc[nH+]1 ZINC000413400988 191376083 /nfs/dbraw/zinc/37/60/83/191376083.db2.gz DOIQASOYZPUCMJ-UHFFFAOYSA-N 1 0 203.289 2.164 20 30 BEEDRO C=Cc1ccc(CC[NH+]=C(N(C)C)N(C)C)cc1 ZINC000262695787 191407861 /nfs/dbraw/zinc/40/78/61/191407861.db2.gz XHUSFEGGZSSSAO-UHFFFAOYSA-N 1 0 245.370 2.351 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639273359 355346198 /nfs/dbraw/zinc/34/61/98/355346198.db2.gz BMKZXFILGHUWLQ-BJDJZHNGSA-N 1 0 227.373 2.061 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639275389 355351641 /nfs/dbraw/zinc/35/16/41/355351641.db2.gz PZGNWMMYBKNBIL-MMWGEVLESA-N 1 0 231.286 2.211 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000101910800 355354625 /nfs/dbraw/zinc/35/46/25/355354625.db2.gz MZZNBLHHXAKHQR-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCOCC[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000361742490 355415786 /nfs/dbraw/zinc/41/57/86/355415786.db2.gz FXSZBGWSWNJGGV-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ncccc1CC ZINC000349754894 355424481 /nfs/dbraw/zinc/42/44/81/355424481.db2.gz DVKZLRBADVEJAK-WCQYABFASA-N 1 0 234.343 2.232 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000623239839 355398172 /nfs/dbraw/zinc/39/81/72/355398172.db2.gz VFFWTECZFPIFJR-GHMZBOCLSA-N 1 0 219.332 2.369 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000335812071 355498039 /nfs/dbraw/zinc/49/80/39/355498039.db2.gz MREKXTRZBPGIOR-DGCLKSJQSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000335812070 355498206 /nfs/dbraw/zinc/49/82/06/355498206.db2.gz MREKXTRZBPGIOR-AAEUAGOBSA-N 1 0 240.310 2.116 20 30 BEEDRO COc1ccccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349783205 355461172 /nfs/dbraw/zinc/46/11/72/355461172.db2.gz ACFAGAFYBFXKSC-WCQYABFASA-N 1 0 230.311 2.477 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000349756979 355461323 /nfs/dbraw/zinc/46/13/23/355461323.db2.gz JLEXPNYZSGFFQK-JQWIXIFHSA-N 1 0 248.301 2.285 20 30 BEEDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000349797458 355465229 /nfs/dbraw/zinc/46/52/29/355465229.db2.gz CGKNJNGGAWVHRF-YPMHNXCESA-N 1 0 230.311 2.477 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000349813218 355467929 /nfs/dbraw/zinc/46/79/29/355467929.db2.gz NNVLREZAJSUGPP-JQWIXIFHSA-N 1 0 244.294 2.197 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000349813216 355468049 /nfs/dbraw/zinc/46/80/49/355468049.db2.gz NNVLREZAJSUGPP-CMPLNLGQSA-N 1 0 244.294 2.197 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000353957576 355469926 /nfs/dbraw/zinc/46/99/26/355469926.db2.gz QMUOQPDVOSJDGN-XJFOESAGSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC#Cc1ccccc1 ZINC000335823380 355544071 /nfs/dbraw/zinc/54/40/71/355544071.db2.gz UOYLXLSISDHWEK-HUUCEWRRSA-N 1 0 242.366 2.063 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335828268 355554366 /nfs/dbraw/zinc/55/43/66/355554366.db2.gz GGCQBTHMMLZLHW-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415913091 191702867 /nfs/dbraw/zinc/70/28/67/191702867.db2.gz OSFLZHRQDQTIID-SNVBAGLBSA-N 1 0 233.315 2.102 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)CCS1 ZINC000335836991 355564918 /nfs/dbraw/zinc/56/49/18/355564918.db2.gz RLWBBKQUGSBNBH-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccnc(N)c1 ZINC000191408010 355660979 /nfs/dbraw/zinc/66/09/79/355660979.db2.gz LIAMJISZKADNIE-UHFFFAOYSA-N 1 0 205.305 2.062 20 30 BEEDRO C=CCC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000639307434 355662432 /nfs/dbraw/zinc/66/24/32/355662432.db2.gz YBNVTZJISIIIEQ-LLVKDONJSA-N 1 0 220.316 2.187 20 30 BEEDRO COC(=O)C(C)(C)[N@H+](C)CCCC(C)(C)C#N ZINC000350158534 355617672 /nfs/dbraw/zinc/61/76/72/355617672.db2.gz LDNORJPUAUFRAU-UHFFFAOYSA-N 1 0 240.347 2.200 20 30 BEEDRO C=CCN(C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416004374 191705723 /nfs/dbraw/zinc/70/57/23/191705723.db2.gz GXNLCXGLRVTVPP-UHFFFAOYSA-N 1 0 233.315 2.056 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)[C@@H](C)OC)CCOCC1 ZINC000639317196 355707483 /nfs/dbraw/zinc/70/74/83/355707483.db2.gz ZWGFOJPGCDOQTK-NWDGAFQWSA-N 1 0 227.348 2.125 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1CC2CCC1CC2 ZINC000639326894 355733097 /nfs/dbraw/zinc/73/30/97/355733097.db2.gz IOFAPUKIOHFORD-MGBPRESASA-N 1 0 223.360 2.338 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417335487 191794321 /nfs/dbraw/zinc/79/43/21/191794321.db2.gz IKRBLAHZTOQAEB-UTUOFQBUSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnn[nH]1 ZINC000628363686 355848650 /nfs/dbraw/zinc/84/86/50/355848650.db2.gz UERPEMWLMTXQMA-SNVBAGLBSA-N 1 0 208.309 2.029 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000263112341 535291771 /nfs/dbraw/zinc/29/17/71/535291771.db2.gz LCUAJTFWHTVOFK-YPMHNXCESA-N 1 0 223.364 2.125 20 30 BEEDRO COCCCC[NH+]1CCC(CCC#N)CC1 ZINC000399376307 355867510 /nfs/dbraw/zinc/86/75/10/355867510.db2.gz XRVYSEDCFUIEHR-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cncnc1 ZINC000329482777 355925204 /nfs/dbraw/zinc/92/52/04/355925204.db2.gz DXTHBIKVKJLSMK-LBPRGKRZSA-N 1 0 248.330 2.329 20 30 BEEDRO C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(C#N)cc1 ZINC000087817823 355900537 /nfs/dbraw/zinc/90/05/37/355900537.db2.gz GCWWHJLFUUTALD-QWRGUYRKSA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000351331142 355980566 /nfs/dbraw/zinc/98/05/66/355980566.db2.gz RLDIKOYHKHZGSC-OCCSQVGLSA-N 1 0 245.326 2.227 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000351409831 355986384 /nfs/dbraw/zinc/98/63/84/355986384.db2.gz HUUWCELISZICGT-CHWSQXEVSA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351424417 355989433 /nfs/dbraw/zinc/98/94/33/355989433.db2.gz VZWGPEWITSQKHW-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@@H](CCC#N)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000351488725 355999390 /nfs/dbraw/zinc/99/93/90/355999390.db2.gz ASTPFNSJUVHXLJ-UONOGXRCSA-N 1 0 237.391 2.485 20 30 BEEDRO C[C@H](CCC#N)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000351488726 355999921 /nfs/dbraw/zinc/99/99/21/355999921.db2.gz ASTPFNSJUVHXLJ-ZIAGYGMSSA-N 1 0 237.391 2.485 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCCO1 ZINC000191950106 355946960 /nfs/dbraw/zinc/94/69/60/355946960.db2.gz GMGJGJDXIHKDHW-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(OC)ccn1 ZINC000351107256 355948707 /nfs/dbraw/zinc/94/87/07/355948707.db2.gz YMGIVMFTPQFONG-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192047281 355951096 /nfs/dbraw/zinc/95/10/96/355951096.db2.gz LVVVCBOMAGJYFE-OLZOCXBDSA-N 1 0 235.714 2.393 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000192180737 355955066 /nfs/dbraw/zinc/95/50/66/355955066.db2.gz CCHANBFIIAQUEQ-QMTHXVAHSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C[C@H](C)OC)C(C)C ZINC000351273181 355970726 /nfs/dbraw/zinc/97/07/26/355970726.db2.gz VTBJCRCDLHZXRT-STQMWFEESA-N 1 0 229.364 2.059 20 30 BEEDRO C=CCCCCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418034359 191956063 /nfs/dbraw/zinc/95/60/63/191956063.db2.gz OMZKWUHDNSAIHN-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000351597144 356017366 /nfs/dbraw/zinc/01/73/66/356017366.db2.gz UEXMGFBKFQBTRE-RRFJBIMHSA-N 1 0 231.339 2.317 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1COC(C)(C)C1 ZINC000418087823 191964760 /nfs/dbraw/zinc/96/47/60/191964760.db2.gz IGIUOYKKNNXVSX-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000418087812 191965295 /nfs/dbraw/zinc/96/52/95/191965295.db2.gz IGIUOYKKNNXVSX-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000331351897 356098647 /nfs/dbraw/zinc/09/86/47/356098647.db2.gz OKCLUYBMAVOQSX-QWRGUYRKSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C(C)CC[N@@H+](CC(=O)OCC)CC(C)C ZINC000351865804 356101956 /nfs/dbraw/zinc/10/19/56/356101956.db2.gz VNFBWDCDOPWQKZ-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO COC1(C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000335912851 356137728 /nfs/dbraw/zinc/13/77/28/356137728.db2.gz CSPBPFMLXUENHL-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000617615678 356185173 /nfs/dbraw/zinc/18/51/73/356185173.db2.gz XCHYPBJLBCMOFK-CQSZACIVSA-N 1 0 246.354 2.372 20 30 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211.349 2.437 20 30 BEEDRO CC[C@H]1CO[C@@H](C)CN1CC1(C#N)CCC1 ZINC000336197395 134126874 /nfs/dbraw/zinc/12/68/74/134126874.db2.gz BZLHYQOSJYKOTQ-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC000421014121 192302709 /nfs/dbraw/zinc/30/27/09/192302709.db2.gz GZVDGXWOVLSFFQ-OAHLLOKOSA-N 1 0 242.322 2.117 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421016737 192303768 /nfs/dbraw/zinc/30/37/68/192303768.db2.gz MRKHFGQJHBAVJK-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421025017 192307831 /nfs/dbraw/zinc/30/78/31/192307831.db2.gz XWJDSXMXUTTXLQ-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCOc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000422906920 192502337 /nfs/dbraw/zinc/50/23/37/192502337.db2.gz KNVYNTSMQXYTAQ-KGLIPLIRSA-N 1 0 246.354 2.221 20 30 BEEDRO CC[C@@H]1CN(Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000122691305 363494130 /nfs/dbraw/zinc/49/41/30/363494130.db2.gz UFQSZJQAMLYZFZ-DOMZBBRYSA-N 1 0 243.354 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HQRMKMRNEFWDDV-AWEZNQCLSA-N 1 0 247.386 2.240 20 30 BEEDRO C[C@H](CCCO)C[NH2+]Cc1cc(C#N)cs1 ZINC000384437881 356655529 /nfs/dbraw/zinc/65/55/29/356655529.db2.gz XBYMKAHMWJZSKV-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO COCC1(C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000336612455 134151361 /nfs/dbraw/zinc/15/13/61/134151361.db2.gz WJXJSOZIKUACII-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@H+](CCCOC)CCc1ccco1 ZINC000352720681 134151533 /nfs/dbraw/zinc/15/15/33/134151533.db2.gz MLEOSHRXYBSNGD-UHFFFAOYSA-N 1 0 223.316 2.347 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020084735 134154830 /nfs/dbraw/zinc/15/48/30/134154830.db2.gz JZLWUVXGZQTXNW-JTQLQIEISA-N 1 0 218.256 2.187 20 30 BEEDRO N#Cc1ccc(Cl)cc1NC[C@@H]([NH3+])C1CC1 ZINC000168241655 134160649 /nfs/dbraw/zinc/16/06/49/134160649.db2.gz HSLJGEXZELLOTJ-LLVKDONJSA-N 1 0 235.718 2.361 20 30 BEEDRO C[C@@H]1C[NH2+]CCN1CCCCC1(C#N)CCC1 ZINC000675080929 538521123 /nfs/dbraw/zinc/52/11/23/538521123.db2.gz 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CNUVDKODDLXPSY-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639797849 356757372 /nfs/dbraw/zinc/75/73/72/356757372.db2.gz QIEODNYSLANORO-UHFFFAOYSA-N 1 0 231.343 2.475 20 30 BEEDRO CCN(CCC#N)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450463102 202172502 /nfs/dbraw/zinc/17/25/02/202172502.db2.gz MEFCJMSNIBALES-CQSZACIVSA-N 1 0 237.391 2.485 20 30 BEEDRO CCC[C@@H](O)C[N@H+](CCC#N)CCC(C)C ZINC000450461625 202173073 /nfs/dbraw/zinc/17/30/73/202173073.db2.gz BVXSHRIHDBPWFD-CYBMUJFWSA-N 1 0 226.364 2.409 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465072 202174177 /nfs/dbraw/zinc/17/41/77/202174177.db2.gz DATVSRREWGURCN-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1CNc1cc[nH+]c(CC)c1 ZINC000450495957 202184229 /nfs/dbraw/zinc/18/42/29/202184229.db2.gz CJOIKRZLSZKVHC-SWLSCSKDSA-N 1 0 246.354 2.459 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818358 356799667 /nfs/dbraw/zinc/79/96/67/356799667.db2.gz PFINJPAPWVUXCV-ZDUSSCGKSA-N 1 0 234.347 2.271 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1CNc1cc[nH+]c(CC)c1 ZINC000450495956 202185756 /nfs/dbraw/zinc/18/57/56/202185756.db2.gz CJOIKRZLSZKVHC-IUODEOHRSA-N 1 0 246.354 2.459 20 30 BEEDRO C[C@@H]([N@H+](C)CCOCCC#N)C(C)(C)C ZINC000385165564 356912911 /nfs/dbraw/zinc/91/29/11/356912911.db2.gz AQDXLIMXFUWPPA-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@H+](CC)CCC#N)CCO1 ZINC000356926192 134181056 /nfs/dbraw/zinc/18/10/56/134181056.db2.gz SHJYVYYRPAFCQF-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCC[NH+]1CCC(Nc2cccnc2C#N)CC1 ZINC000129931441 357048536 /nfs/dbraw/zinc/04/85/36/357048536.db2.gz BIIKKCDDMBXRFG-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCN(CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000357532963 134183778 /nfs/dbraw/zinc/18/37/78/134183778.db2.gz RKATTYKNWJWBIE-LBPRGKRZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCc1cncn1C ZINC000390639967 357109264 /nfs/dbraw/zinc/10/92/64/357109264.db2.gz MSPFCDQUVFDRBY-LBPRGKRZSA-N 1 0 221.348 2.297 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCSCCOC ZINC000582368562 357109880 /nfs/dbraw/zinc/10/98/80/357109880.db2.gz LRGKWMNDFCIOKJ-LLVKDONJSA-N 1 0 230.377 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639875428 357065851 /nfs/dbraw/zinc/06/58/51/357065851.db2.gz OUWJWQCNSJOTGO-AWEZNQCLSA-N 1 0 246.354 2.451 20 30 BEEDRO C=CC[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000639875211 357066052 /nfs/dbraw/zinc/06/60/52/357066052.db2.gz LRDJOLICTSRTRV-CYBMUJFWSA-N 1 0 232.327 2.061 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cccnc1C#N ZINC000129971434 357089182 /nfs/dbraw/zinc/08/91/82/357089182.db2.gz NMUXNMWGINCYKT-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000582371147 357114172 /nfs/dbraw/zinc/11/41/72/357114172.db2.gz OKHFHWCECCECNA-TZMCWYRMSA-N 1 0 249.358 2.097 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCCC#N ZINC000582415314 357140504 /nfs/dbraw/zinc/14/05/04/357140504.db2.gz NHTHMIZPDRTRFW-HIFRSBDPSA-N 1 0 246.354 2.434 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000628405615 357198517 /nfs/dbraw/zinc/19/85/17/357198517.db2.gz PVLLVNKKOOCMKA-LBPRGKRZSA-N 1 0 242.326 2.127 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(C)n2C)C1 ZINC000628406069 357200550 /nfs/dbraw/zinc/20/05/50/357200550.db2.gz BAVLQKHJEZXRRV-LBPRGKRZSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000628406275 357201351 /nfs/dbraw/zinc/20/13/51/357201351.db2.gz GCOVEMQZWIYFJL-LBPRGKRZSA-N 1 0 231.343 2.227 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000628406483 357201876 /nfs/dbraw/zinc/20/18/76/357201876.db2.gz KQNRANIZEFTEGQ-NSHDSACASA-N 1 0 205.305 2.116 20 30 BEEDRO C=C(C)CN1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000358826096 134192747 /nfs/dbraw/zinc/19/27/47/134192747.db2.gz OYXCDOJUWHXEIA-QWHCGFSZSA-N 1 0 240.416 2.074 20 30 BEEDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1F ZINC000423272211 192665487 /nfs/dbraw/zinc/66/54/87/192665487.db2.gz JPYSHYKLPZSZSV-YGRLFVJLSA-N 1 0 249.333 2.331 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(C)(COC)CC1 ZINC000358743198 134192420 /nfs/dbraw/zinc/19/24/20/134192420.db2.gz KROMLGCKLMIDRT-ZDUSSCGKSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000393830296 357301909 /nfs/dbraw/zinc/30/19/09/357301909.db2.gz JLUHCYCKNCWNCX-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000393827637 357302401 /nfs/dbraw/zinc/30/24/01/357302401.db2.gz GXQNWIAYKBDWQS-UONOGXRCSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000393879128 357305047 /nfs/dbraw/zinc/30/50/47/357305047.db2.gz KCRAQOGYUKCKKC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000359622252 134196055 /nfs/dbraw/zinc/19/60/55/134196055.db2.gz AJTVOWOPILFFCQ-ZDUSSCGKSA-N 1 0 236.290 2.143 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CN)C1CC1 ZINC000423281332 192673994 /nfs/dbraw/zinc/67/39/94/192673994.db2.gz UHGALOICSACAGU-DGCLKSJQSA-N 1 0 210.365 2.448 20 30 BEEDRO Cn1cc(CC[NH2+]CCC#N)c2ccc(F)cc21 ZINC000582661817 357356732 /nfs/dbraw/zinc/35/67/32/357356732.db2.gz FRAWKGCRSCAUHJ-UHFFFAOYSA-N 1 0 245.301 2.363 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000582915550 357435267 /nfs/dbraw/zinc/43/52/67/357435267.db2.gz PYUBYKNPPXBOCM-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000397189727 357506240 /nfs/dbraw/zinc/50/62/40/357506240.db2.gz NYKDEJSIBHHWOA-UONOGXRCSA-N 1 0 236.359 2.163 20 30 BEEDRO COc1ccncc1C[NH+]1CCC(CC#N)CC1 ZINC000397179466 357508318 /nfs/dbraw/zinc/50/83/18/357508318.db2.gz IGHRKPWMIWMSLI-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO CO[C@](C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000361007599 134202772 /nfs/dbraw/zinc/20/27/72/134202772.db2.gz ADIWYTPZDAWIEB-IACUBPJLSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCOCCOc1cc(C)[nH+]c(C)c1 ZINC000583074419 357472577 /nfs/dbraw/zinc/47/25/77/357472577.db2.gz RRGWYNSENJRZRL-UHFFFAOYSA-N 1 0 207.273 2.280 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000361218059 134203939 /nfs/dbraw/zinc/20/39/39/134203939.db2.gz VSIPQJWJIKGKKS-STQMWFEESA-N 1 0 240.391 2.040 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000361642275 134206587 /nfs/dbraw/zinc/20/65/87/134206587.db2.gz IKVJZIZZBCFHFY-CYBMUJFWSA-N 1 0 232.327 2.030 20 30 BEEDRO C=C(Br)CN1CCC[C@](C)(O)CC1 ZINC000230377208 357530882 /nfs/dbraw/zinc/53/08/82/357530882.db2.gz OGOGTYNPXZLSHS-JTQLQIEISA-N 1 0 248.164 2.132 20 30 BEEDRO CC#CCCCC(=O)NCCC[N@H+](C)C(C)C ZINC000362300215 134209484 /nfs/dbraw/zinc/20/94/84/134209484.db2.gz KOPBEIDRRMNPOQ-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO N#CCCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189172068 357607929 /nfs/dbraw/zinc/60/79/29/357607929.db2.gz KINJBQYIHIVZIN-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)[C@H](C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189594463 357644839 /nfs/dbraw/zinc/64/48/39/357644839.db2.gz POHLFSMVLLFSSG-LLVKDONJSA-N 1 0 219.332 2.278 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](O)C1 ZINC000232528426 357663581 /nfs/dbraw/zinc/66/35/81/357663581.db2.gz KZRSVKPBVLCWDV-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCSCC[NH2+]Cc1cncn1C(C)C ZINC000231933202 357639386 /nfs/dbraw/zinc/63/93/86/357639386.db2.gz OJRBAODYIAERQC-UHFFFAOYSA-N 1 0 239.388 2.473 20 30 BEEDRO CC[N@H+](CCCCC(C)(C)C#N)CC(=O)OC ZINC000233443166 357724011 /nfs/dbraw/zinc/72/40/11/357724011.db2.gz TYTWQMUROMALRO-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CCCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC000362804574 134214206 /nfs/dbraw/zinc/21/42/06/134214206.db2.gz FTNYRJJELWWBKW-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000233763364 357745313 /nfs/dbraw/zinc/74/53/13/357745313.db2.gz UJQIMBONNSWXNI-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(C#N)c(F)c1 ZINC000191123043 357752089 /nfs/dbraw/zinc/75/20/89/357752089.db2.gz KSEFOOQOFLJDQE-UHFFFAOYSA-N 1 0 248.301 2.332 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCC(=O)OC(C)(C)C ZINC000393774624 357757313 /nfs/dbraw/zinc/75/73/13/357757313.db2.gz JGAWWCSZPLUSAN-SNVBAGLBSA-N 1 0 226.320 2.000 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C[C@@H](C)CC)CC1 ZINC000191366230 357767050 /nfs/dbraw/zinc/76/70/50/357767050.db2.gz DCGRQIVPIMJZTQ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@H+](Cc1cc(C#N)ccc1F)CC1(C)COC1 ZINC000610366976 357800191 /nfs/dbraw/zinc/80/01/91/357800191.db2.gz UMOISSJOMFFSKH-UHFFFAOYSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CCC[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000369603022 134223168 /nfs/dbraw/zinc/22/31/68/134223168.db2.gz UTMYVBHSTIJKKG-AVGNSLFASA-N 1 0 237.343 2.369 20 30 BEEDRO OCCCC[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000192038182 357814764 /nfs/dbraw/zinc/81/47/64/357814764.db2.gz RKXMSFICDZVMFK-UHFFFAOYSA-N 1 0 243.350 2.275 20 30 BEEDRO CSCC[N@H+](C)CC#Cc1ccccc1 ZINC000192074783 357816517 /nfs/dbraw/zinc/81/65/17/357816517.db2.gz PXXGAGGKFNCELJ-UHFFFAOYSA-N 1 0 219.353 2.333 20 30 BEEDRO C=C(C)C[N@@H+]1CCOCC2(CCCC2)C1 ZINC000369017138 134221284 /nfs/dbraw/zinc/22/12/84/134221284.db2.gz MYNOKCMPSREGHS-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO CCCCCCCCC[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000192193025 357826031 /nfs/dbraw/zinc/82/60/31/357826031.db2.gz NSLIQUOYBFSZTG-KBPBESRZSA-N 1 0 243.391 2.165 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)COC(C)C ZINC000398070796 357827672 /nfs/dbraw/zinc/82/76/72/357827672.db2.gz JDOVHFUDCUWALJ-OLZOCXBDSA-N 1 0 229.364 2.107 20 30 BEEDRO C[C@@H](CO)[C@@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000235131086 357846995 /nfs/dbraw/zinc/84/69/95/357846995.db2.gz IPPHXFIKDCXXPK-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH+]2CCC(C)(C#N)CC2)O1 ZINC000235346453 357866821 /nfs/dbraw/zinc/86/68/21/357866821.db2.gz VHAVBEFQSUHYNW-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C1CCOCC1 ZINC000235497963 357871297 /nfs/dbraw/zinc/87/12/97/357871297.db2.gz CCJIMCNOYIWWAI-NSHDSACASA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000235551293 357879389 /nfs/dbraw/zinc/87/93/89/357879389.db2.gz QDQWIMYQBIUZQS-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000398963669 357891649 /nfs/dbraw/zinc/89/16/49/357891649.db2.gz AGRCTCVYWGAYNN-UHFFFAOYSA-N 1 0 202.301 2.498 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398984852 357892443 /nfs/dbraw/zinc/89/24/43/357892443.db2.gz AIIACFXIFQZKAX-AWEZNQCLSA-N 1 0 232.327 2.267 20 30 BEEDRO N#CCc1ccc(C[NH2+]CC2CC2)cc1 ZINC000398993422 357892605 /nfs/dbraw/zinc/89/26/05/357892605.db2.gz MZQNLUFFQPNUKY-UHFFFAOYSA-N 1 0 200.285 2.252 20 30 BEEDRO C[C@@H]1[C@H](C)SCC[N@@H+]1CCCSCC#N ZINC000074991136 325273866 /nfs/dbraw/zinc/27/38/66/325273866.db2.gz ZZONIARFKRRVIS-MNOVXSKESA-N 1 0 244.429 2.459 20 30 BEEDRO CCn1cc(C[NH+]2CCC(CCC#N)CC2)cn1 ZINC000399260747 357900326 /nfs/dbraw/zinc/90/03/26/357900326.db2.gz BRKUNYMFWWNXEQ-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO N#CCCC[NH+]1CCC(CCC#N)CC1 ZINC000399307162 357902194 /nfs/dbraw/zinc/90/21/94/357902194.db2.gz CTKBCYCNACBYDO-UHFFFAOYSA-N 1 0 205.305 2.306 20 30 BEEDRO CC(C)OCC[NH+]1CCC(CCC#N)CC1 ZINC000399341890 357904013 /nfs/dbraw/zinc/90/40/13/357904013.db2.gz ICMQEONSKCPPNZ-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000584406215 357912268 /nfs/dbraw/zinc/91/22/68/357912268.db2.gz VPBKUROQNAPKHK-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnccc1C ZINC000168610028 134231479 /nfs/dbraw/zinc/23/14/79/134231479.db2.gz FHPAJYKKFKKBOV-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](OCCOC)C1 ZINC000583734096 357930761 /nfs/dbraw/zinc/93/07/61/357930761.db2.gz STZAKEBOKZJZMP-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374012771 134235463 /nfs/dbraw/zinc/23/54/63/134235463.db2.gz GBSAYFUJNDRZOT-HZSPNIEDSA-N 1 0 239.359 2.221 20 30 BEEDRO Cc1ccncc1CCC[NH2+]CC1(C#N)CC1 ZINC000583839293 357969501 /nfs/dbraw/zinc/96/95/01/357969501.db2.gz CGRYTPHDGXDRCM-UHFFFAOYSA-N 1 0 229.327 2.216 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376454736 134242102 /nfs/dbraw/zinc/24/21/02/134242102.db2.gz MURIVOKMPBYOQQ-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC1(O)CCOCC1 ZINC000305134925 134240117 /nfs/dbraw/zinc/24/01/17/134240117.db2.gz ODQDEYKPEJJVFH-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640000518 358036738 /nfs/dbraw/zinc/03/67/38/358036738.db2.gz NGZJGEFEGWKOTB-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1CO ZINC000305697860 134242216 /nfs/dbraw/zinc/24/22/16/134242216.db2.gz VBRNOFGGSDKPLN-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC000377705738 134244898 /nfs/dbraw/zinc/24/48/98/134244898.db2.gz UFPVFTFXNFOENJ-UHFFFAOYSA-N 1 0 241.334 2.280 20 30 BEEDRO C[C@@H](CCC#N)SCC1CC[NH2+]CC1 ZINC000584527894 358041356 /nfs/dbraw/zinc/04/13/56/358041356.db2.gz OBZHQKZRUHLRLD-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1ccc(C#N)cn1 ZINC000584537498 358048173 /nfs/dbraw/zinc/04/81/73/358048173.db2.gz IYGMSCDFMPZCJC-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCOC(C)(C)C ZINC000610681263 358061951 /nfs/dbraw/zinc/06/19/51/358061951.db2.gz FXQMGRMARBAOSJ-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@@H](C)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610675551 358063041 /nfs/dbraw/zinc/06/30/41/358063041.db2.gz GACHZLZZKRMNTG-KGLIPLIRSA-N 1 0 237.391 2.198 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001641215226 1172236409 /nfs/dbraw/zinc/23/64/09/1172236409.db2.gz BEXRNLPMZSYLMW-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000640067885 358154409 /nfs/dbraw/zinc/15/44/09/358154409.db2.gz MALTYDIWZXSSLJ-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640072453 358169950 /nfs/dbraw/zinc/16/99/50/358169950.db2.gz JDCMBISNTCJLIW-LLVKDONJSA-N 1 0 215.312 2.138 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C1CCOCC1 ZINC000584815084 358184570 /nfs/dbraw/zinc/18/45/70/358184570.db2.gz YCNFINYFDRUFKY-UHFFFAOYSA-N 1 0 229.323 2.149 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640092040 358184852 /nfs/dbraw/zinc/18/48/52/358184852.db2.gz RPAVZXLHUDUNKC-AGIUHOORSA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@@H]1CN(c2cccc(F)c2C#N)[C@@H](C)C[N@@H+]1C ZINC000351509257 358212188 /nfs/dbraw/zinc/21/21/88/358212188.db2.gz KRSYFHRFSJQFLM-MNOVXSKESA-N 1 0 247.317 2.226 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CC1(C#N)CCC1 ZINC000450689260 202234612 /nfs/dbraw/zinc/23/46/12/202234612.db2.gz SFEGXMQATXAQIM-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCN(C)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450759025 202259736 /nfs/dbraw/zinc/25/97/36/202259736.db2.gz JYXFXLGNMVOSBR-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO N#CCC[NH2+]CCc1ccc(Cl)s1 ZINC000226405592 358338922 /nfs/dbraw/zinc/33/89/22/358338922.db2.gz UQLDBRRKEXOCMK-UHFFFAOYSA-N 1 0 214.721 2.447 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](Nc1ccccc1)C(C)C ZINC000264141183 535423200 /nfs/dbraw/zinc/42/32/00/535423200.db2.gz WJZBKERBGDVINH-ZDUSSCGKSA-N 1 0 248.374 2.047 20 30 BEEDRO CCNC(=[NH2+])NCc1ccc(Cl)cc1Cl ZINC000264093356 535424599 /nfs/dbraw/zinc/42/45/99/535424599.db2.gz LMJURUUSQIMWIC-UHFFFAOYSA-N 1 0 246.141 2.418 20 30 BEEDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610970066 358416204 /nfs/dbraw/zinc/41/62/04/358416204.db2.gz VDAJQKHEGJZQCJ-LSDHHAIUSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCOCC(F)(F)F ZINC000042324249 358521529 /nfs/dbraw/zinc/52/15/29/358521529.db2.gz OIRRIGWXGFQOCM-VIFPVBQESA-N 1 0 238.253 2.047 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCCO1 ZINC000126724934 358554072 /nfs/dbraw/zinc/55/40/72/358554072.db2.gz NWCUOXPEJBVXRZ-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127514999 358563059 /nfs/dbraw/zinc/56/30/59/358563059.db2.gz RCCXQNNOUNLTFM-VXGBXAGGSA-N 1 0 240.416 2.120 20 30 BEEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000128474015 358576193 /nfs/dbraw/zinc/57/61/93/358576193.db2.gz IHEOABDDXYHRDO-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CCN1CCC([N@H+](C)CCCCC#N)CC1 ZINC000042679771 358528700 /nfs/dbraw/zinc/52/87/00/358528700.db2.gz HXAKAQFNDSNEMA-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613663335 363613840 /nfs/dbraw/zinc/61/38/40/363613840.db2.gz XHYHTWDIMNRBDH-YRGRVCCFSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000130473354 358627476 /nfs/dbraw/zinc/62/74/76/358627476.db2.gz FVEUOWNSIYWJLP-JTQLQIEISA-N 1 0 221.300 2.368 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)C[C@@H](C)O ZINC000130650998 358638618 /nfs/dbraw/zinc/63/86/18/358638618.db2.gz UHMTZIJKJCQJPD-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130937272 358654069 /nfs/dbraw/zinc/65/40/69/358654069.db2.gz RCMDGFLEFWIZFJ-OXJKWZBOSA-N 1 0 231.405 2.286 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCCC[C@@H]1O ZINC000131664139 358688248 /nfs/dbraw/zinc/68/82/48/358688248.db2.gz KCKADFOIALQLPI-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000052034744 358771691 /nfs/dbraw/zinc/77/16/91/358771691.db2.gz LFVLORXRYTWZBH-AWEZNQCLSA-N 1 0 217.287 2.466 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@@H]2CCO[C@@H]21 ZINC000132729615 358733918 /nfs/dbraw/zinc/73/39/18/358733918.db2.gz OCTFWMQYCQEFCA-TUAOUCFPSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000135010677 358815764 /nfs/dbraw/zinc/81/57/64/358815764.db2.gz PLQUXDLHYASJCT-GXTWGEPZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000578219171 366458395 /nfs/dbraw/zinc/45/83/95/366458395.db2.gz RRYNKSABVOTLOQ-OFTGVCEQSA-N 1 0 207.317 2.108 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC(C)C)CC(C)(C)C ZINC000134455257 358789602 /nfs/dbraw/zinc/78/96/02/358789602.db2.gz OOYFWSSCMPZNKX-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C(C)C)C1CC1 ZINC000061164611 358932130 /nfs/dbraw/zinc/93/21/30/358932130.db2.gz ABVGKAFWOSQBQS-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO N#CCCN1CC[NH+](CCC2CCCCC2)CC1 ZINC000611175491 358934282 /nfs/dbraw/zinc/93/42/82/358934282.db2.gz DAYBXOXTIWZGNW-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCCC#N ZINC000177326290 134299339 /nfs/dbraw/zinc/29/93/39/134299339.db2.gz PMDQNDBPZBCONR-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO CC(C)[N@H+](C)CC(=O)Nc1ccc(CC#N)cc1 ZINC000070944408 359066655 /nfs/dbraw/zinc/06/66/55/359066655.db2.gz GNERZIVKZGOXBY-UHFFFAOYSA-N 1 0 245.326 2.031 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC#N)C1 ZINC000072965754 359094240 /nfs/dbraw/zinc/09/42/40/359094240.db2.gz VBYMUMHICDMECZ-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO CCOC[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000072975317 359094250 /nfs/dbraw/zinc/09/42/50/359094250.db2.gz QOQCKOGCHAFIJD-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000308851532 491138984 /nfs/dbraw/zinc/13/89/84/491138984.db2.gz OMSJSNFVJZXOSB-OLZOCXBDSA-N 1 0 209.333 2.357 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCCC#N)C[C@@H](C)O1 ZINC000247739193 359243153 /nfs/dbraw/zinc/24/31/53/359243153.db2.gz WNCAWFAARKZSPB-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cc(C#N)cs2)C[C@H]1C ZINC000611271208 359285043 /nfs/dbraw/zinc/28/50/43/359285043.db2.gz ZCJAGUUAIDADAK-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO N#CC1(CN2CC[C@@H](c3ccco3)C2)CC1 ZINC000611429955 359368595 /nfs/dbraw/zinc/36/85/95/359368595.db2.gz QXWZNJNELDHRAO-LLVKDONJSA-N 1 0 216.284 2.373 20 30 BEEDRO CC(C)[NH2+][C@H]1CCCN(CCC(C)(C)C#N)C1 ZINC000611463089 359373798 /nfs/dbraw/zinc/37/37/98/359373798.db2.gz UMQAUSVGDANZNJ-ZDUSSCGKSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000308895019 491139886 /nfs/dbraw/zinc/13/98/86/491139886.db2.gz YZZKVLMQELFWGQ-SNVBAGLBSA-N 1 0 205.305 2.229 20 30 BEEDRO Cc1ccnc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000286035412 359350396 /nfs/dbraw/zinc/35/03/96/359350396.db2.gz JMCCZLHHGQCDCA-LLVKDONJSA-N 1 0 203.289 2.344 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1c(C)cnn1C ZINC000286168797 359352470 /nfs/dbraw/zinc/35/24/70/359352470.db2.gz WRWMWDYRFCLKPH-NSHDSACASA-N 1 0 207.321 2.173 20 30 BEEDRO COc1cc(C#N)ccc1C[N@H+]1CC=CCC1 ZINC000611517401 359387656 /nfs/dbraw/zinc/38/76/56/359387656.db2.gz YHPYBRPKTYWQOG-UHFFFAOYSA-N 1 0 228.295 2.329 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000611578399 359398583 /nfs/dbraw/zinc/39/85/83/359398583.db2.gz CNGZHLADWURMTP-JTQLQIEISA-N 1 0 232.274 2.384 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)O ZINC000293006643 359454120 /nfs/dbraw/zinc/45/41/20/359454120.db2.gz NPNXHLFKWFPMEX-LLVKDONJSA-N 1 0 238.356 2.259 20 30 BEEDRO C[C@H]1CC[C@](CO)([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450779917 202264288 /nfs/dbraw/zinc/26/42/88/202264288.db2.gz OWCBDWLHOVNITA-JSGCOSHPSA-N 1 0 236.359 2.163 20 30 BEEDRO CO[C@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000611941979 359488274 /nfs/dbraw/zinc/48/82/74/359488274.db2.gz KZKIQEFDJGQKAH-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423643146 192818971 /nfs/dbraw/zinc/81/89/71/192818971.db2.gz XJQSVRBIUABTBM-ZDUSSCGKSA-N 1 0 246.354 2.357 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000424079375 192860345 /nfs/dbraw/zinc/86/03/45/192860345.db2.gz RYZCIWBHMXYDIN-CYBMUJFWSA-N 1 0 244.338 2.259 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Nc2cc(C#N)cc(C)n2)C1 ZINC000160998374 359686597 /nfs/dbraw/zinc/68/65/97/359686597.db2.gz LNIPVBHGKUHNRB-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO CSCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612162534 359714516 /nfs/dbraw/zinc/71/45/16/359714516.db2.gz HXQDDOYYJWLCPI-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO Cc1noc(C)c1CN1CCC[C@](C)(C#N)C1 ZINC000612167003 359715487 /nfs/dbraw/zinc/71/54/87/359715487.db2.gz ZFLPPEBUIJKSKW-CYBMUJFWSA-N 1 0 233.315 2.417 20 30 BEEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450831345 202280638 /nfs/dbraw/zinc/28/06/38/202280638.db2.gz PGJBCAPCGQGPHF-JHJVBQTASA-N 1 0 236.359 2.162 20 30 BEEDRO N#CCCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000612194926 359732948 /nfs/dbraw/zinc/73/29/48/359732948.db2.gz NGAHSUAUVFQOFO-GFCCVEGCSA-N 1 0 230.311 2.446 20 30 BEEDRO COc1ccc(C#N)cc1C[N@H+](C)C1CC1 ZINC000130395977 359736350 /nfs/dbraw/zinc/73/63/50/359736350.db2.gz YYRMDWIGWITVQK-UHFFFAOYSA-N 1 0 216.284 2.161 20 30 BEEDRO C[C@H](CO)[N@H+](CC1CCC1)CC1(C#N)CCC1 ZINC000450893914 202301278 /nfs/dbraw/zinc/30/12/78/202301278.db2.gz STJVBWNMRSEPLN-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](C)CC2=CCCCC2)C1=O ZINC000450898429 202303463 /nfs/dbraw/zinc/30/34/63/202303463.db2.gz BRNWSZRLBKKZRM-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000578410404 366560018 /nfs/dbraw/zinc/56/00/18/366560018.db2.gz WBZHTZJKXNXZNP-DDTOSNHZSA-N 1 0 230.311 2.386 20 30 BEEDRO C=C(C)COCC[NH2+]CC1(O)CCC(C)CC1 ZINC000578499599 366580704 /nfs/dbraw/zinc/58/07/04/366580704.db2.gz SHOVHMZSMNRHMQ-UHFFFAOYSA-N 1 0 241.375 2.110 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000309099374 491144796 /nfs/dbraw/zinc/14/47/96/491144796.db2.gz FAWRCQFVCBFVPO-ZYHUDNBSSA-N 1 0 223.341 2.173 20 30 BEEDRO C[C@]1(F)CCC[N@H+](CCCSCC#N)C1 ZINC000451117095 202357997 /nfs/dbraw/zinc/35/79/97/202357997.db2.gz UBAQBKSAGCNMMT-NSHDSACASA-N 1 0 230.352 2.457 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CC(C)(C)CO ZINC000451244148 202385570 /nfs/dbraw/zinc/38/55/70/202385570.db2.gz DWLUCSPZSJDBHX-UHFFFAOYSA-N 1 0 226.364 2.267 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@]1(C)CC(C)C ZINC000451294872 202397709 /nfs/dbraw/zinc/39/77/09/202397709.db2.gz YNLWVGRCKUMBIC-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C#N)CCN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000087595610 359919436 /nfs/dbraw/zinc/91/94/36/359919436.db2.gz FJLPVPPDUVDOHZ-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCC/C=C\CC)CC1 ZINC000490875845 259507589 /nfs/dbraw/zinc/50/75/89/259507589.db2.gz SCXOEAKZBDNQRS-WAYWQWQTSA-N 1 0 249.354 2.231 20 30 BEEDRO CC(C)(C#N)CCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000087608727 359921154 /nfs/dbraw/zinc/92/11/54/359921154.db2.gz KJBGZEXKOVTELW-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451255873 202388471 /nfs/dbraw/zinc/38/84/71/202388471.db2.gz DOUHZZQDGDDOKH-HUUCEWRRSA-N 1 0 249.329 2.363 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000088249644 359942519 /nfs/dbraw/zinc/94/25/19/359942519.db2.gz ZKSHTFQPLSDROH-UHFFFAOYSA-N 1 0 225.295 2.342 20 30 BEEDRO C=CCCCC[N@H+]1CCN(C)C[C@@H]1CC ZINC000578760958 366641111 /nfs/dbraw/zinc/64/11/11/366641111.db2.gz XQWCBCNEVXSYHB-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000306447894 360023870 /nfs/dbraw/zinc/02/38/70/360023870.db2.gz GGLILACSMLVVOA-RKDXNWHRSA-N 1 0 229.121 2.177 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC1CCCC1 ZINC000451604953 202446487 /nfs/dbraw/zinc/44/64/87/202446487.db2.gz JCIDOHSNPRWNEG-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCOCCCC ZINC000451674806 202459497 /nfs/dbraw/zinc/45/94/97/202459497.db2.gz NWVSFWISVFIERM-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000090008828 360054507 /nfs/dbraw/zinc/05/45/07/360054507.db2.gz FFIPFBORYBXUNB-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO COC[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000612879946 360152041 /nfs/dbraw/zinc/15/20/41/360152041.db2.gz YOVKAMMOZPKYRX-CQSZACIVSA-N 1 0 246.354 2.383 20 30 BEEDRO C#CC[NH+]1CCC(OCc2ccccc2F)CC1 ZINC000091863059 360133276 /nfs/dbraw/zinc/13/32/76/360133276.db2.gz MINYIHHXLQISOR-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO CCc1nn(C)cc1C[NH2+]CC(C)(C)CCC#N ZINC000093112959 360219337 /nfs/dbraw/zinc/21/93/37/360219337.db2.gz WSHRDTRZLCXNFU-UHFFFAOYSA-N 1 0 248.374 2.402 20 30 BEEDRO C=CC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000093359219 360235563 /nfs/dbraw/zinc/23/55/63/360235563.db2.gz AVAZYMRNBOCKTN-UHFFFAOYSA-N 1 0 204.317 2.423 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C)C1 ZINC000130413488 360268674 /nfs/dbraw/zinc/26/86/74/360268674.db2.gz UAMHIWQLZHDQRY-NSHDSACASA-N 1 0 230.311 2.409 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430759691 192888780 /nfs/dbraw/zinc/88/87/80/192888780.db2.gz HGUSCGFPXLQGST-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CCO)C(C)C ZINC000230226290 360425264 /nfs/dbraw/zinc/42/52/64/360425264.db2.gz SFTKHLGATJSLPA-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449715428 219852608 /nfs/dbraw/zinc/85/26/08/219852608.db2.gz AWIJTTRHEFYEIM-RYUDHWBXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000631199090 360761574 /nfs/dbraw/zinc/76/15/74/360761574.db2.gz HXWIYEZMPYQEPS-OKILXGFUSA-N 1 0 247.338 2.112 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000174383447 219863166 /nfs/dbraw/zinc/86/31/66/219863166.db2.gz OGUCFLSMXSYPQL-ZDUSSCGKSA-N 1 0 226.364 2.313 20 30 BEEDRO CCSCC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445153 200681115 /nfs/dbraw/zinc/68/11/15/200681115.db2.gz HDTQAKQCSVIPTQ-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000449516923 200688261 /nfs/dbraw/zinc/68/82/61/200688261.db2.gz IFQYLGPKAZPAAG-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCOc1ccc(CN[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000629405353 361055137 /nfs/dbraw/zinc/05/51/37/361055137.db2.gz JCCGPBGIEIZHOH-SWLSCSKDSA-N 1 0 246.354 2.091 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C)NC1 ZINC000629396362 361044063 /nfs/dbraw/zinc/04/40/63/361044063.db2.gz LCKTVGGSEOIUFQ-FRRDWIJNSA-N 1 0 210.365 2.461 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]1C ZINC000424179874 200877065 /nfs/dbraw/zinc/87/70/65/200877065.db2.gz ZIZNTRUACCGJAQ-VOAKCMCISA-N 1 0 209.333 2.356 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000424290034 200898324 /nfs/dbraw/zinc/89/83/24/200898324.db2.gz ASDQGMZHYXHRNE-OBJOEFQTSA-N 1 0 249.358 2.145 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)C1CC1 ZINC000424294679 200901258 /nfs/dbraw/zinc/90/12/58/200901258.db2.gz LIGRUQBYGOGDBK-AVGNSLFASA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000428285051 201005597 /nfs/dbraw/zinc/00/55/97/201005597.db2.gz DXTOWWFZPQHXLO-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO N#CCN1CC[NH+](CCCC2CCCCC2)CC1 ZINC000428270421 201003216 /nfs/dbraw/zinc/00/32/16/201003216.db2.gz UTUPHDHKRUUUHB-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO CN(Cc1cccc(F)c1C#N)C[C@H]1CCCO1 ZINC000428426776 201016269 /nfs/dbraw/zinc/01/62/69/201016269.db2.gz NRNOPVVHIRMACD-GFCCVEGCSA-N 1 0 248.301 2.308 20 30 BEEDRO C[C@H](Cc1ccccc1F)[NH2+]CCC#N ZINC000160893339 361332106 /nfs/dbraw/zinc/33/21/06/361332106.db2.gz FOQGSYWGVZHLCK-SNVBAGLBSA-N 1 0 206.264 2.260 20 30 BEEDRO C=CCN(CCC#N)CCCc1ccncc1 ZINC000428831796 201042573 /nfs/dbraw/zinc/04/25/73/201042573.db2.gz FEUJKGYFDOCGAN-UHFFFAOYSA-N 1 0 229.327 2.416 20 30 BEEDRO C=CC[N@@H+](CCC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000428860880 201046459 /nfs/dbraw/zinc/04/64/59/201046459.db2.gz INKZIZCQRKAOBH-QWHCGFSZSA-N 1 0 222.332 2.203 20 30 BEEDRO C=C(C)CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429001567 201057335 /nfs/dbraw/zinc/05/73/35/201057335.db2.gz IYBZYBPGWAUZNP-BFHYXJOUSA-N 1 0 222.376 2.225 20 30 BEEDRO CC[NH+](CC)CCCN(CC#N)C1CCCC1 ZINC000191793590 361359856 /nfs/dbraw/zinc/35/98/56/361359856.db2.gz ZAPRBJVYUDBVRK-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1F)C1(CO)CCC1 ZINC000429264689 201085840 /nfs/dbraw/zinc/08/58/40/201085840.db2.gz CWXLCVQPUNCVME-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000429283522 201091910 /nfs/dbraw/zinc/09/19/10/201091910.db2.gz HFQYFFGSSZKCDK-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO C[NH+](C)Cc1ccccc1NC(=O)CCCC#N ZINC000579301953 366755254 /nfs/dbraw/zinc/75/52/54/366755254.db2.gz ZZUDQWUTZDSSJP-UHFFFAOYSA-N 1 0 245.326 2.381 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000429675519 201123649 /nfs/dbraw/zinc/12/36/49/201123649.db2.gz XREYKFSXQBOUNG-AWEZNQCLSA-N 1 0 248.326 2.026 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccnn1C(C)C ZINC000354433777 366805529 /nfs/dbraw/zinc/80/55/29/366805529.db2.gz YWHHAQLYFXYWQA-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCSCC[C@H]1C ZINC000429766309 201131159 /nfs/dbraw/zinc/13/11/59/201131159.db2.gz MRKXXNOAVQWVIR-VXGBXAGGSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000429928579 201136212 /nfs/dbraw/zinc/13/62/12/201136212.db2.gz UFKNZHNOZAMOOE-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000579465690 366815780 /nfs/dbraw/zinc/81/57/80/366815780.db2.gz BXLAWIFVONDMNI-UHFFFAOYSA-N 1 0 247.342 2.356 20 30 BEEDRO C=CCCN1CCC[C@@H](C[NH3+])[C@H]1C(F)(F)F ZINC000629583105 361472774 /nfs/dbraw/zinc/47/27/74/361472774.db2.gz QKSXJDAAZSPZTF-UWVGGRQHSA-N 1 0 236.281 2.164 20 30 BEEDRO C=CCC[N@@H+](CCOC)[C@H]1CCCSC1 ZINC000433177193 201162776 /nfs/dbraw/zinc/16/27/76/201162776.db2.gz DBFSWGWPHVGILQ-LBPRGKRZSA-N 1 0 229.389 2.407 20 30 BEEDRO COCCCCC[N@H+](C)CC(C)(C)C#N ZINC000433307738 201180239 /nfs/dbraw/zinc/18/02/39/201180239.db2.gz VTAHRDHLQYIRBA-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000433325895 201182921 /nfs/dbraw/zinc/18/29/21/201182921.db2.gz LIECXCYWNONVLN-UHFFFAOYSA-N 1 0 230.271 2.063 20 30 BEEDRO COCCSCCC[N@H+](C)CC(C)(C)C#N ZINC000433293804 201173227 /nfs/dbraw/zinc/17/32/27/201173227.db2.gz HYRWEACNKWPRGX-UHFFFAOYSA-N 1 0 244.404 2.238 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433315381 201178122 /nfs/dbraw/zinc/17/81/22/201178122.db2.gz YDFTXJNZONCTKW-GFCCVEGCSA-N 1 0 222.332 2.060 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000434980862 201247296 /nfs/dbraw/zinc/24/72/96/201247296.db2.gz HGMIRVUOGVTPDD-UHFFFAOYSA-N 1 0 217.272 2.288 20 30 BEEDRO CCOC(=O)CC1([NH2+]CCCC#N)CCCC1 ZINC000434616819 201230190 /nfs/dbraw/zinc/23/01/90/201230190.db2.gz RKTSXUVSSAWNOO-UHFFFAOYSA-N 1 0 238.331 2.146 20 30 BEEDRO C=C(C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000154255946 201271629 /nfs/dbraw/zinc/27/16/29/201271629.db2.gz BSRSYZQQBMEXHW-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C=C(C)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)nc1 ZINC000629729836 361668053 /nfs/dbraw/zinc/66/80/53/361668053.db2.gz GMESUIXDCGRCBA-LBPRGKRZSA-N 1 0 245.326 2.053 20 30 BEEDRO C=C(C)c1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000629729816 361668152 /nfs/dbraw/zinc/66/81/52/361668152.db2.gz FMMWYVITNUWIET-ZDUSSCGKSA-N 1 0 203.285 2.381 20 30 BEEDRO C[C@H]1C[C@@H](NCc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492700 361682046 /nfs/dbraw/zinc/68/20/46/361682046.db2.gz CPIAKABGGVTTSI-JQWIXIFHSA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@@H](CC[NH+](C)C)Nc1c(C#N)cccc1C#N ZINC000436315247 201320762 /nfs/dbraw/zinc/32/07/62/201320762.db2.gz FOVQUOSIILGSMZ-NSHDSACASA-N 1 0 242.326 2.182 20 30 BEEDRO C=C(C)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155552145 201338603 /nfs/dbraw/zinc/33/86/03/201338603.db2.gz MHBLBKLUKHZZPS-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@H]1C[NH+](C[C@@H](C#N)CCC#N)C[C@H]1C ZINC000437103548 201343202 /nfs/dbraw/zinc/34/32/02/201343202.db2.gz AMUXCCUEKTUZQW-IJLUTSLNSA-N 1 0 205.305 2.018 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCOC1(C)C ZINC000328197178 363856520 /nfs/dbraw/zinc/85/65/20/363856520.db2.gz CYVXIJILWAQSOT-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1ncc([C@H](C)N(C)C[C@H](C)C#N)c(C)n1 ZINC000614530693 363836533 /nfs/dbraw/zinc/83/65/33/363836533.db2.gz VRSWIWBKLRGFLA-KOLCDFICSA-N 1 0 232.331 2.246 20 30 BEEDRO C#CCC[N@H+]1CC[C@H]1Cc1ccc(OC)cc1 ZINC001641991179 1172315665 /nfs/dbraw/zinc/31/56/65/1172315665.db2.gz ANLSOLNJWRCTCG-AWEZNQCLSA-N 1 0 229.323 2.335 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000631717587 364169265 /nfs/dbraw/zinc/16/92/65/364169265.db2.gz GFJJZEMIVRBHOK-XKNYDFJKSA-N 1 0 239.281 2.488 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000134635358 364408665 /nfs/dbraw/zinc/40/86/65/364408665.db2.gz ILBFLZJDXILIBF-NXEZZACHSA-N 1 0 213.321 2.271 20 30 BEEDRO C=CCC1(NC(=O)C[NH+](CC)CC)CCCC1 ZINC000619103947 364402655 /nfs/dbraw/zinc/40/26/55/364402655.db2.gz GFHPRUUQPPCXRS-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453337386 202740756 /nfs/dbraw/zinc/74/07/56/202740756.db2.gz AKKWAUIFASUANU-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCC[N@@H+](CC)CC(=O)OCC ZINC000579554412 366866959 /nfs/dbraw/zinc/86/69/59/366866959.db2.gz PIALEFZYPWHQHA-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO CC[N@H+](CC[C@H]1CCCO1)C[C@H](C)C#N ZINC000246751042 364609015 /nfs/dbraw/zinc/60/90/15/364609015.db2.gz FVRUXFDCQFIYPD-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC1(C)CCC(C[NH+]2CCN(CC#N)CC2)CC1 ZINC000092936297 364688667 /nfs/dbraw/zinc/68/86/67/364688667.db2.gz BTBHYKQPMGBRRN-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(O)c1)C(C)C ZINC000289677611 364768710 /nfs/dbraw/zinc/76/87/10/364768710.db2.gz ZNQCKRCLFOLFAD-ZDUSSCGKSA-N 1 0 203.285 2.140 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000573739986 364906668 /nfs/dbraw/zinc/90/66/68/364906668.db2.gz WGNKUJJZRGBVOB-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOc1ccccc1CC[NH2+]CCC#N ZINC000573913654 364944105 /nfs/dbraw/zinc/94/41/05/364944105.db2.gz CITGQCCKAFILLP-UHFFFAOYSA-N 1 0 218.300 2.131 20 30 BEEDRO C=CCCCC[NH+]1CCC(CC(=O)NC)CC1 ZINC000575830985 364982538 /nfs/dbraw/zinc/98/25/38/364982538.db2.gz USSNWFKSYJCBNO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc2n(n1)CCC2 ZINC000574173011 365004084 /nfs/dbraw/zinc/00/40/84/365004084.db2.gz KGHPZQKOVQQRTI-LLVKDONJSA-N 1 0 244.342 2.174 20 30 BEEDRO Cc1cnc([C@@H](C)C[NH2+]CCC#N)s1 ZINC000574445897 365063517 /nfs/dbraw/zinc/06/35/17/365063517.db2.gz IMPYTOLPKASKRC-QMMMGPOBSA-N 1 0 209.318 2.058 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000442779476 192988765 /nfs/dbraw/zinc/98/87/65/192988765.db2.gz ISLZPRLAJGSFMC-CHWSQXEVSA-N 1 0 236.359 2.211 20 30 BEEDRO CCC(CC)(CCO)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442778985 192990296 /nfs/dbraw/zinc/99/02/96/192990296.db2.gz HXIJKFZKFVWESE-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO COC1CCC(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442789691 192991817 /nfs/dbraw/zinc/99/18/17/192991817.db2.gz KCHIDRNTMKUGSC-YIFLHPOLSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000574686294 365117697 /nfs/dbraw/zinc/11/76/97/365117697.db2.gz OFZASHPVAWPWMC-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CCOC1CC(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442861363 192997766 /nfs/dbraw/zinc/99/77/66/192997766.db2.gz XUKZAIBUOJIGOE-CEUNDQEZSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCCC#N ZINC000443340042 193017092 /nfs/dbraw/zinc/01/70/92/193017092.db2.gz FJEPCKLGRJNRBC-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443332726 193017479 /nfs/dbraw/zinc/01/74/79/193017479.db2.gz YGGOBCDZDJQBTF-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCCC#N ZINC000443340044 193017569 /nfs/dbraw/zinc/01/75/69/193017569.db2.gz FJEPCKLGRJNRBC-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000443335972 193018063 /nfs/dbraw/zinc/01/80/63/193018063.db2.gz QLKXIHHRCZTELV-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000191989595 365223174 /nfs/dbraw/zinc/22/31/74/365223174.db2.gz RPAXEZAIAHZODB-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO Cc1cc(C[NH2+]CCN(C)C(C)C)ccc1C#N ZINC000443968868 193032730 /nfs/dbraw/zinc/03/27/30/193032730.db2.gz OSLGFXVNIMXRCF-UHFFFAOYSA-N 1 0 245.370 2.297 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccncc1Cl ZINC000379809812 365278003 /nfs/dbraw/zinc/27/80/03/365278003.db2.gz NWGYQGCUXDVRHJ-UHFFFAOYSA-N 1 0 226.707 2.027 20 30 BEEDRO C=C[C@@H](CC(=O)NCCC[NH2+]C)c1ccccc1 ZINC000575408361 365312771 /nfs/dbraw/zinc/31/27/71/365312771.db2.gz LKNLOQAXSZEVCA-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000172624360 365355191 /nfs/dbraw/zinc/35/51/91/365355191.db2.gz MRVJRGOVEVENFU-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccsc2)C1 ZINC000336695409 365359118 /nfs/dbraw/zinc/35/91/18/365359118.db2.gz YWLNDHKYFCWVBM-ADEWGFFLSA-N 1 0 236.340 2.063 20 30 BEEDRO CC#CC[N@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000336718034 365362338 /nfs/dbraw/zinc/36/23/38/365362338.db2.gz WSMOWGWACSTQHH-IUODEOHRSA-N 1 0 229.323 2.334 20 30 BEEDRO CN(C)c1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000173267523 365411689 /nfs/dbraw/zinc/41/16/89/365411689.db2.gz XQZKDIMLKYXEIV-UHFFFAOYSA-N 1 0 243.354 2.488 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000576045637 365462322 /nfs/dbraw/zinc/46/23/22/365462322.db2.gz JVZDQUUCGOALPH-CYDGBPFRSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339726486 365470567 /nfs/dbraw/zinc/47/05/67/365470567.db2.gz OQDBGUKADJDAIH-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO CC[N@H+](CCOCCC#N)C1CCCC1 ZINC000338911119 365441835 /nfs/dbraw/zinc/44/18/35/365441835.db2.gz ICZPKPNJZIEHAD-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]CCOCCC#N)[C@@H](C)C1 ZINC000339098617 365448160 /nfs/dbraw/zinc/44/81/60/365448160.db2.gz ZLIXPXKTOHBIPF-FRRDWIJNSA-N 1 0 224.348 2.331 20 30 BEEDRO CC1(C)CCC[C@@H]1[NH2+]CCOCCC#N ZINC000339109181 365448232 /nfs/dbraw/zinc/44/82/32/365448232.db2.gz WQNQLBPGCZODJM-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]CCOCCC#N)[C@@H]1C ZINC000339098036 365448333 /nfs/dbraw/zinc/44/83/33/365448333.db2.gz UCINYOPMTAYBIA-JHJVBQTASA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CCO)c1ccc(OC)cc1 ZINC000182413999 366900164 /nfs/dbraw/zinc/90/01/64/366900164.db2.gz KAJGVWJOGKRVKO-AWEZNQCLSA-N 1 0 235.327 2.284 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000576118433 365492564 /nfs/dbraw/zinc/49/25/64/365492564.db2.gz LWWACQARHPQECL-GFCCVEGCSA-N 1 0 219.332 2.176 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)C1CCCCC1 ZINC000576119951 365493133 /nfs/dbraw/zinc/49/31/33/365493133.db2.gz XQKWCABXXPTKLB-STQMWFEESA-N 1 0 224.348 2.209 20 30 BEEDRO N#CCCCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000580938106 367209929 /nfs/dbraw/zinc/20/99/29/367209929.db2.gz QITIRLFIIXAKKV-LBPRGKRZSA-N 1 0 222.332 2.060 20 30 BEEDRO C=CCCCC[NH+]1CCC(Cn2cncn2)CC1 ZINC000581052935 367246320 /nfs/dbraw/zinc/24/63/20/367246320.db2.gz RWFXWXSSNKVMFK-UHFFFAOYSA-N 1 0 248.374 2.346 20 30 BEEDRO Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000381413118 367397593 /nfs/dbraw/zinc/39/75/93/367397593.db2.gz VEPYDLQDAALJCN-VXGBXAGGSA-N 1 0 218.300 2.412 20 30 BEEDRO C#CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000381787529 367458365 /nfs/dbraw/zinc/45/83/65/367458365.db2.gz ZGLXLEGBOHBLHC-MISXGVKJSA-N 1 0 215.296 2.162 20 30 BEEDRO C=CCC(C)(C)C[NH2+]CC1(O)CCCC1 ZINC000381869916 367465367 /nfs/dbraw/zinc/46/53/67/367465367.db2.gz KLHQMVMGYQSOPR-UHFFFAOYSA-N 1 0 211.349 2.483 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000382329293 367508063 /nfs/dbraw/zinc/50/80/63/367508063.db2.gz WAOKPQMBNQUREK-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000382365726 367512623 /nfs/dbraw/zinc/51/26/23/367512623.db2.gz BLDXDJKGQWCOHP-GHMZBOCLSA-N 1 0 205.305 2.208 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1CC(F)(F)C1 ZINC000383597245 367642837 /nfs/dbraw/zinc/64/28/37/367642837.db2.gz YVRKCJRKSHONJL-SECBINFHSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000615438886 367697428 /nfs/dbraw/zinc/69/74/28/367697428.db2.gz HUHOCEGGVWVFOL-NHYWBVRUSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](O)COc1ccccc1 ZINC000384889094 367752248 /nfs/dbraw/zinc/75/22/48/367752248.db2.gz XMNMEERQVXJAPH-ZDUSSCGKSA-N 1 0 249.354 2.228 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000384651028 367708598 /nfs/dbraw/zinc/70/85/98/367708598.db2.gz UOJJCIYPOZGAAT-GARJFASQSA-N 1 0 215.362 2.061 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000385026496 367773731 /nfs/dbraw/zinc/77/37/31/367773731.db2.gz JLKOVZJXIOQWQD-UHFFFAOYSA-N 1 0 243.301 2.450 20 30 BEEDRO C[N@@H+]1CCN(CC2(C#N)CC2)CC12CCCCC2 ZINC000581892749 367884573 /nfs/dbraw/zinc/88/45/73/367884573.db2.gz VMMZDOUURJLPPY-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C=C1CC(C)(C(=O)N(CCC)CC[NH+](C)C)C1 ZINC000630931706 367985276 /nfs/dbraw/zinc/98/52/76/367985276.db2.gz UALQUQGAUZUIDP-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000386692502 368010287 /nfs/dbraw/zinc/01/02/87/368010287.db2.gz KRHRSYAURRDEEM-UHFFFAOYSA-N 1 0 229.274 2.204 20 30 BEEDRO COC[C@H](C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443977800 201604650 /nfs/dbraw/zinc/60/46/50/201604650.db2.gz FEMKRVBNZSMIPR-LLVKDONJSA-N 1 0 232.327 2.239 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1C2CCC1CC2 ZINC000642525459 368174159 /nfs/dbraw/zinc/17/41/59/368174159.db2.gz OORSSWNGSYXPTK-HSBZDZAISA-N 1 0 248.370 2.202 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000387478809 368231407 /nfs/dbraw/zinc/23/14/07/368231407.db2.gz CDRGGFOHRXLMBY-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443992167 201606106 /nfs/dbraw/zinc/60/61/06/201606106.db2.gz XVIUXXFCZYALGR-ZDUSSCGKSA-N 1 0 246.354 2.365 20 30 BEEDRO CCC[C@@]1(CO)CCC[N@@H+]1CCCCC#N ZINC000444771594 201633240 /nfs/dbraw/zinc/63/32/40/201633240.db2.gz JRZKTBLFZQPZIC-ZDUSSCGKSA-N 1 0 224.348 2.307 20 30 BEEDRO CC(C)[C@@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000066242941 368642050 /nfs/dbraw/zinc/64/20/50/368642050.db2.gz HKMAZUZYWCAKBR-CQSZACIVSA-N 1 0 245.370 2.493 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](CC)c1ccccc1 ZINC000066244278 368642268 /nfs/dbraw/zinc/64/22/68/368642268.db2.gz HRPLWRPAXJOBJN-GFCCVEGCSA-N 1 0 231.343 2.271 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NCCC[NH2+]CC ZINC000567148696 326123528 /nfs/dbraw/zinc/12/35/28/326123528.db2.gz KDUQPFAQOBKATJ-LBPRGKRZSA-N 1 0 241.379 2.030 20 30 BEEDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)o1 ZINC000259656518 370928211 /nfs/dbraw/zinc/92/82/11/370928211.db2.gz BVANVQKOEBLDHE-LBPRGKRZSA-N 1 0 233.315 2.417 20 30 BEEDRO CC[N@@H+](Cc1ccnc(C#N)c1)CC1CC1 ZINC000069238187 370909764 /nfs/dbraw/zinc/90/97/64/370909764.db2.gz UFQIOVVSIXQXLZ-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO N#Cc1ccc(NCCC[NH+]2CCCCC2)nc1 ZINC000073869236 368819287 /nfs/dbraw/zinc/81/92/87/368819287.db2.gz XICVMQMTKQHSMU-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO C=CCCC[NH2+]CC1(O)CCC(C)CC1 ZINC000083468946 368779915 /nfs/dbraw/zinc/77/99/15/368779915.db2.gz KXMVGHRRAYGHDD-UHFFFAOYSA-N 1 0 211.349 2.483 20 30 BEEDRO N#CCN1CCC([NH2+][C@H]2CCC23CCCC3)CC1 ZINC000616092065 368945606 /nfs/dbraw/zinc/94/56/06/368945606.db2.gz GRJDYOUNJGUCKS-AWEZNQCLSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@@H]1CC[C@H](CN2CCC[C@](C)(C#N)C2)O1 ZINC000616114083 368959256 /nfs/dbraw/zinc/95/92/56/368959256.db2.gz NXKIIZVPNKKTGC-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1cc(C[N@H+](CCCO)C2CC2)ccc1C#N ZINC000618593775 369180720 /nfs/dbraw/zinc/18/07/20/369180720.db2.gz MIZJJUWZRGUXTF-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000458214552 203146728 /nfs/dbraw/zinc/14/67/28/203146728.db2.gz SQMZUJZPGDYQKI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@H+](CC1CCOCC1)C1CCCC1 ZINC000155803164 326212396 /nfs/dbraw/zinc/21/23/96/326212396.db2.gz LDWLSYOBPXHEGM-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCCCO ZINC000618798971 369217302 /nfs/dbraw/zinc/21/73/02/369217302.db2.gz MASAXFIQMDHSSQ-OAHLLOKOSA-N 1 0 244.338 2.298 20 30 BEEDRO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618743156 369207705 /nfs/dbraw/zinc/20/77/05/369207705.db2.gz YISWMYZTZLYODX-COLVAYQJSA-N 1 0 242.322 2.313 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000618820108 369221861 /nfs/dbraw/zinc/22/18/61/369221861.db2.gz ZZNDSEBCAJZLCU-NWDGAFQWSA-N 1 0 224.373 2.365 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831419 369223133 /nfs/dbraw/zinc/22/31/33/369223133.db2.gz PWAIMYCLNNYXDJ-XHDPSFHLSA-N 1 0 244.338 2.418 20 30 BEEDRO C=CCC1(NC(=O)[C@H](CC)[NH+](C)C)CCCC1 ZINC000619107567 369283886 /nfs/dbraw/zinc/28/38/86/369283886.db2.gz FIOGMVKNPURLQP-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH2+]C1(CC(=O)OC)CCC1 ZINC000459386509 203272578 /nfs/dbraw/zinc/27/25/78/203272578.db2.gz HQPRJNUHEHESKH-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCCCC#N)[C@H]1SC ZINC000459403542 203272885 /nfs/dbraw/zinc/27/28/85/203272885.db2.gz HDFNHIICZVVKIW-IJLUTSLNSA-N 1 0 242.388 2.179 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2cc(C)on2)CC1 ZINC000459402069 203274487 /nfs/dbraw/zinc/27/44/87/203274487.db2.gz MZDCPGDVVXMYBF-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CC[N@@H+](CCn1cc(Cl)cn1)C1CC1 ZINC000459482608 203290463 /nfs/dbraw/zinc/29/04/63/203290463.db2.gz YBRRAAAEINQWNX-UHFFFAOYSA-N 1 0 225.723 2.187 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOCC1CCCC1 ZINC000459516295 203296827 /nfs/dbraw/zinc/29/68/27/203296827.db2.gz QNIQTYBWEVNWQC-KGLIPLIRSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)CC[N@@H+]1[C@H](C)CN(CC)C[C@@H]1C ZINC000459455584 203284450 /nfs/dbraw/zinc/28/44/50/203284450.db2.gz GJJWVJDDSXCXSZ-BETUJISGSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1CC2(CCC2)C1 ZINC000459571888 203303079 /nfs/dbraw/zinc/30/30/79/203303079.db2.gz ORHPIWHUZNNHQZ-NSHDSACASA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCc1ccc(Cl)cc1 ZINC000459565626 203303083 /nfs/dbraw/zinc/30/30/83/203303083.db2.gz RJTPBBOLCCNHSE-GFCCVEGCSA-N 1 0 225.719 2.019 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCc1cn(C)cn1 ZINC000459672779 203333844 /nfs/dbraw/zinc/33/38/44/203333844.db2.gz YHABGYRXQHVUEG-LBPRGKRZSA-N 1 0 221.348 2.297 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000459690790 203337576 /nfs/dbraw/zinc/33/75/76/203337576.db2.gz JUKZARDWANAWBD-UHFFFAOYSA-N 1 0 246.310 2.445 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C1CCSCC1 ZINC000459684210 203338238 /nfs/dbraw/zinc/33/82/38/203338238.db2.gz BSMLXCKQXKETDO-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000619535117 369466403 /nfs/dbraw/zinc/46/64/03/369466403.db2.gz UKXJHIJHUDHASV-WCQYABFASA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@@]1(C)C[C@@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000619535118 369466464 /nfs/dbraw/zinc/46/64/64/369466464.db2.gz UKXJHIJHUDHASV-YPMHNXCESA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCOCC1 ZINC000459732043 203344961 /nfs/dbraw/zinc/34/49/61/203344961.db2.gz OFJPHKBRPXURAT-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CCc1nocc1C[NH2+]CC(C)(C)CC#N ZINC000459730459 203345185 /nfs/dbraw/zinc/34/51/85/203345185.db2.gz MOQMFPLUOXWFFK-UHFFFAOYSA-N 1 0 221.304 2.266 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cncc(F)c1 ZINC000459733478 203345650 /nfs/dbraw/zinc/34/56/50/203345650.db2.gz PZZXTCIJEZXKHM-UHFFFAOYSA-N 1 0 221.279 2.250 20 30 BEEDRO Cc1noc(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000259934823 370956199 /nfs/dbraw/zinc/95/61/99/370956199.db2.gz HVNVRRQQZYAZOY-LBPRGKRZSA-N 1 0 233.315 2.417 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000459763078 203360499 /nfs/dbraw/zinc/36/04/99/203360499.db2.gz AIGOMGDRZJJVBL-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000459774046 203362528 /nfs/dbraw/zinc/36/25/28/203362528.db2.gz LGMXIIVHPKLEHU-CABCVRRESA-N 1 0 229.323 2.195 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000459772209 203362964 /nfs/dbraw/zinc/36/29/64/203362964.db2.gz HTMBQSHZNCBOOK-GRYCIOLGSA-N 1 0 204.317 2.458 20 30 BEEDRO N#CC1(CCC[N@H+]2CC=CCC2)CCOCC1 ZINC000619621229 369496174 /nfs/dbraw/zinc/49/61/74/369496174.db2.gz UHMQCXDFIQUMBE-UHFFFAOYSA-N 1 0 234.343 2.349 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000619672974 369521520 /nfs/dbraw/zinc/52/15/20/369521520.db2.gz UFMNNIWFXFETIX-DYEKYZERSA-N 1 0 229.327 2.467 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H](C)C2(CCC2)C1 ZINC000619720161 369550305 /nfs/dbraw/zinc/55/03/05/369550305.db2.gz JOWFLRMLGWCTJA-NEPJUHHUSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000619722278 369553980 /nfs/dbraw/zinc/55/39/80/369553980.db2.gz INBHZVDYUQBTIA-NWDGAFQWSA-N 1 0 239.359 2.472 20 30 BEEDRO Cc1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1C#N ZINC000600708223 369559952 /nfs/dbraw/zinc/55/99/52/369559952.db2.gz DPGCSEUWZFIMND-HUUCEWRRSA-N 1 0 243.354 2.226 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C#N)cc1 ZINC000601291103 369620453 /nfs/dbraw/zinc/62/04/53/369620453.db2.gz GQKZWRPBSALSJT-CFVMTHIKSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H](C[NH2+]C1CCN(CC#N)CC1)C(C)(C)C ZINC000619844722 369617526 /nfs/dbraw/zinc/61/75/26/369617526.db2.gz BBVQLWHREZQKFG-LBPRGKRZSA-N 1 0 237.391 2.246 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CC[C@H]1CCOC1 ZINC000602015545 369737156 /nfs/dbraw/zinc/73/71/56/369737156.db2.gz MFAKOZYGNZTOFT-NSHDSACASA-N 1 0 248.301 2.214 20 30 BEEDRO COC[C@@H](C)C[NH2+]Cc1cccc(F)c1C#N ZINC000602008081 369733238 /nfs/dbraw/zinc/73/32/38/369733238.db2.gz QAMZYTNVESHDKW-JTQLQIEISA-N 1 0 236.290 2.069 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000602009920 369733963 /nfs/dbraw/zinc/73/39/63/369733963.db2.gz ZCBQSCIHLLXRGB-NSHDSACASA-N 1 0 248.301 2.214 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000602017515 369734689 /nfs/dbraw/zinc/73/46/89/369734689.db2.gz OCKRONBSHUUNJN-ZZKXABKFSA-N 1 0 248.301 2.114 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2C#N)O1 ZINC000602019855 369736635 /nfs/dbraw/zinc/73/66/35/369736635.db2.gz JWOVMQPCGIHKOY-ZYHUDNBSSA-N 1 0 248.301 2.354 20 30 BEEDRO CC1(C[NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602566009 369815150 /nfs/dbraw/zinc/81/51/50/369815150.db2.gz UQOOFSVNTYOINE-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO CSCCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602655359 369835415 /nfs/dbraw/zinc/83/54/15/369835415.db2.gz JXLJHUIUUSMWSL-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602428809 369787061 /nfs/dbraw/zinc/78/70/61/369787061.db2.gz KFWHBZUOBIVXNU-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO CCC(CC)(C[NH2+]Cc1cccc(C#N)n1)OC ZINC000602669892 369838728 /nfs/dbraw/zinc/83/87/28/369838728.db2.gz KSTQJGFHGFMCRV-UHFFFAOYSA-N 1 0 247.342 2.248 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602471868 369792782 /nfs/dbraw/zinc/79/27/82/369792782.db2.gz LZDOIKRQBDEWRB-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1cccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)n1 ZINC000602470502 369793398 /nfs/dbraw/zinc/79/33/98/369793398.db2.gz GRKKXIWBAKBWMP-RYUDHWBXSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(C#N)n2)CC1(F)F ZINC000602711943 369847395 /nfs/dbraw/zinc/84/73/95/369847395.db2.gz SUVZBJSUDABRTC-NSHDSACASA-N 1 0 237.253 2.088 20 30 BEEDRO COCc1cc(C#N)ccc1NC[C@H](C)[NH+](C)C ZINC000603279715 369908994 /nfs/dbraw/zinc/90/89/94/369908994.db2.gz UAFNLLOTZHACIF-NSHDSACASA-N 1 0 247.342 2.067 20 30 BEEDRO C[NH+](C)[C@H]1C[C@H](Nc2cccc(C#N)n2)C1(C)C ZINC000603408013 369952820 /nfs/dbraw/zinc/95/28/20/369952820.db2.gz VTSVDRYVSANSBE-RYUDHWBXSA-N 1 0 244.342 2.094 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncccc2C#N)C1(C)C ZINC000603408036 369953145 /nfs/dbraw/zinc/95/31/45/369953145.db2.gz WEBXZUXYJOPWRM-NEPJUHHUSA-N 1 0 244.342 2.094 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](Nc2cccc(C#N)n2)C1(C)C ZINC000603408011 369955234 /nfs/dbraw/zinc/95/52/34/369955234.db2.gz VTSVDRYVSANSBE-NEPJUHHUSA-N 1 0 244.342 2.094 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2F)C[C@@H]1C ZINC000110750665 369973506 /nfs/dbraw/zinc/97/35/06/369973506.db2.gz XMQIPACXFZRNSD-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C1CC[NH+](C)CC1 ZINC000620858811 370012786 /nfs/dbraw/zinc/01/27/86/370012786.db2.gz PXPYQLWYBDKWAN-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1ccc(C#N)cc1F ZINC000111137167 370074191 /nfs/dbraw/zinc/07/41/91/370074191.db2.gz YQMLUURHGJIAES-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000063194523 370139480 /nfs/dbraw/zinc/13/94/80/370139480.db2.gz FNUWSXRYTZMVOP-WFASDCNBSA-N 1 0 243.354 2.260 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1ccc(F)c(F)c1 ZINC000309750588 370253624 /nfs/dbraw/zinc/25/36/24/370253624.db2.gz KLGQFCIIEXCIEP-VIFPVBQESA-N 1 0 224.254 2.399 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000077176967 370398148 /nfs/dbraw/zinc/39/81/48/370398148.db2.gz YFAWXCHBMUJSDQ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO N#Cc1cc(F)ccc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000113317591 370400900 /nfs/dbraw/zinc/40/09/00/370400900.db2.gz UMXMNNPAFJQGRL-LBPRGKRZSA-N 1 0 245.301 2.346 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000313014903 370563115 /nfs/dbraw/zinc/56/31/15/370563115.db2.gz FNEDIXXXKXKWJV-ZDUSSCGKSA-N 1 0 248.301 2.212 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000313036522 370564126 /nfs/dbraw/zinc/56/41/26/370564126.db2.gz XYJQZCTYPKMCOO-CYBMUJFWSA-N 1 0 248.301 2.212 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000313061764 370566929 /nfs/dbraw/zinc/56/69/29/370566929.db2.gz OMBJLOVHIWLQKT-NSHDSACASA-N 1 0 236.340 2.134 20 30 BEEDRO CC[C@@H]1COCCN1Cc1cc(C#N)cs1 ZINC000091981916 371071047 /nfs/dbraw/zinc/07/10/47/371071047.db2.gz WBNLBSUORUJKFK-LLVKDONJSA-N 1 0 236.340 2.231 20 30 BEEDRO CC[NH+](CC)CCCNc1cc(C#N)ccn1 ZINC000019502642 371155317 /nfs/dbraw/zinc/15/53/17/371155317.db2.gz MYBZSQABRCBYGF-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000390133998 371188178 /nfs/dbraw/zinc/18/81/78/371188178.db2.gz LDUYDIFYZMUULV-MNOVXSKESA-N 1 0 220.320 2.011 20 30 BEEDRO CC1(C)C[NH+](Cc2ccc(C#N)cc2)C1 ZINC000093965574 371191374 /nfs/dbraw/zinc/19/13/74/371191374.db2.gz FEXCZWNQFQGOAB-UHFFFAOYSA-N 1 0 200.285 2.400 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCc2scnc21 ZINC000623957451 371196623 /nfs/dbraw/zinc/19/66/23/371196623.db2.gz JWRJTJWDIIOLAX-JTQLQIEISA-N 1 0 238.356 2.313 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000019960173 371211636 /nfs/dbraw/zinc/21/16/36/371211636.db2.gz UPDUSJAISLSJIB-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](CC)Cn1cncn1 ZINC000624036883 371265172 /nfs/dbraw/zinc/26/51/72/371265172.db2.gz BYTMQTXJOYFBDZ-LBPRGKRZSA-N 1 0 236.363 2.249 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000624088092 371298992 /nfs/dbraw/zinc/29/89/92/371298992.db2.gz ZYBGFVLFLQECRU-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1COCCN1C ZINC000624177040 371367884 /nfs/dbraw/zinc/36/78/84/371367884.db2.gz WMXNFSFWULNAIN-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC001642837563 1172413204 /nfs/dbraw/zinc/41/32/04/1172413204.db2.gz RQEHVAZPEJHVNX-AWEZNQCLSA-N 1 0 248.370 2.063 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCOC1 ZINC000334296747 371509779 /nfs/dbraw/zinc/50/97/79/371509779.db2.gz ZSURMMJSLLYUSZ-DZGCQCFKSA-N 1 0 242.322 2.314 20 30 BEEDRO CSCC[NH2+]CC(C)(C)CCC#N ZINC000126624559 371539553 /nfs/dbraw/zinc/53/95/53/371539553.db2.gz OUTSYAODXRQVLG-UHFFFAOYSA-N 1 0 200.351 2.269 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)ccc1C#N ZINC000335775879 371543844 /nfs/dbraw/zinc/54/38/44/371543844.db2.gz DRVUPOPNDDMCMK-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(Cl)cc1C#N ZINC000216183523 371711488 /nfs/dbraw/zinc/71/14/88/371711488.db2.gz BTBOIOPHSZDYNQ-VHSXEESVSA-N 1 0 249.745 2.385 20 30 BEEDRO CCC[C@@H](C[NH2+]Cc1cccc(C#N)n1)OCC ZINC000602721284 371833046 /nfs/dbraw/zinc/83/30/46/371833046.db2.gz PIGSVSCSDDLBRA-AWEZNQCLSA-N 1 0 247.342 2.248 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC23CC3)n1 ZINC000602728001 371834885 /nfs/dbraw/zinc/83/48/85/371834885.db2.gz HAOIOXBUCCFELU-ZDUSSCGKSA-N 1 0 227.311 2.376 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)n2)C[C@H]2C[C@H]2C1 ZINC000602723791 371835040 /nfs/dbraw/zinc/83/50/40/371835040.db2.gz IVKPBUSYAGQROL-JYAVWHMHSA-N 1 0 241.338 2.479 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000305179898 371895182 /nfs/dbraw/zinc/89/51/82/371895182.db2.gz NEXJLUPBRDXPCG-VIFPVBQESA-N 1 0 248.164 2.130 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000631275218 372064979 /nfs/dbraw/zinc/06/49/79/372064979.db2.gz AALXWBKQQLIWRJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN1CCC([NH2+]CC(C)(C)C)CC1 ZINC000163926936 372079258 /nfs/dbraw/zinc/07/92/58/372079258.db2.gz FLCHLLCDBQEADU-UHFFFAOYSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631614444 372462644 /nfs/dbraw/zinc/46/26/44/372462644.db2.gz CFFHKGMIJYKCFM-IUODEOHRSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631674190 372500869 /nfs/dbraw/zinc/50/08/69/372500869.db2.gz VSAXDCYUSKCGGS-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2O)C1 ZINC000631742340 372542405 /nfs/dbraw/zinc/54/24/05/372542405.db2.gz RCJLZDHCKLDINJ-NDBYEHHHSA-N 1 0 209.333 2.234 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001643134614 1172436688 /nfs/dbraw/zinc/43/66/88/1172436688.db2.gz CSPAHOWRUMJQLC-LBPRGKRZSA-N 1 0 215.300 2.231 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)C1 ZINC000633129018 373298550 /nfs/dbraw/zinc/29/85/50/373298550.db2.gz IRMOSDDFYVUAIC-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000633306176 373464224 /nfs/dbraw/zinc/46/42/24/373464224.db2.gz HMLCFGSPPJDGPJ-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1C2CCC(CC2)[C@H]1C(=O)OCC ZINC001643189659 1172446629 /nfs/dbraw/zinc/44/66/29/1172446629.db2.gz MWLVGJAAZROBMT-BPCQOVAHSA-N 1 0 237.343 2.369 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000186699437 205724331 /nfs/dbraw/zinc/72/43/31/205724331.db2.gz IDVVMOQDJYUPAP-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CCC(CC)CC1 ZINC000186720686 205724342 /nfs/dbraw/zinc/72/43/42/205724342.db2.gz COXHKYXWQZXNRN-BPCQOVAHSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000187679403 205810989 /nfs/dbraw/zinc/81/09/89/205810989.db2.gz BKOBCEKVFBNACS-XQQFMLRXSA-N 1 0 223.360 2.480 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000192641516 205957541 /nfs/dbraw/zinc/95/75/41/205957541.db2.gz XTPBNZLZJJJKMY-KBPBESRZSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CC1CC[NH+]([C@@H](CC)C(=O)OCC)CC1 ZINC000173723672 206005574 /nfs/dbraw/zinc/00/55/74/206005574.db2.gz ZWCWRBLUULJYAS-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC(OC(C)C)C1 ZINC000189547314 206014615 /nfs/dbraw/zinc/01/46/15/206014615.db2.gz DLXBSPKCENTILT-UHFFFAOYSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000459777572 206016544 /nfs/dbraw/zinc/01/65/44/206016544.db2.gz WEBLGWGGODBJFX-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424201280 206034316 /nfs/dbraw/zinc/03/43/16/206034316.db2.gz OAHFBGXJDFLDHA-SDDRHHMPSA-N 1 0 210.321 2.082 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCC[C@H]1C(=O)OCC ZINC000451593618 206109023 /nfs/dbraw/zinc/10/90/23/206109023.db2.gz SUGBPZYYTXFDLL-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CCCC#N)C(C)C ZINC000451594317 206109459 /nfs/dbraw/zinc/10/94/59/206109459.db2.gz DMNFDRFMFRGVGF-OLZOCXBDSA-N 1 0 226.364 2.169 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000167401097 206144204 /nfs/dbraw/zinc/14/42/04/206144204.db2.gz AFBYAFFLGBFBCA-LBPRGKRZSA-N 1 0 210.365 2.271 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)C1CCOCC1 ZINC000167268035 206146249 /nfs/dbraw/zinc/14/62/49/206146249.db2.gz SJAIEHAAKVAMMX-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CCCCOCC[NH2+]Cc1ccc(C#N)cc1 ZINC000040506304 168901883 /nfs/dbraw/zinc/90/18/83/168901883.db2.gz QOKFJVUSYXIGBE-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO CCOCC[N@H+](CC)Cc1ccc(C#N)o1 ZINC000092537726 170396647 /nfs/dbraw/zinc/39/66/47/170396647.db2.gz RKVAJOGTOVGAPR-UHFFFAOYSA-N 1 0 222.288 2.010 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)Nc1ncccc1C#N ZINC000357777053 169129792 /nfs/dbraw/zinc/12/97/92/169129792.db2.gz YAPQENXQDWYTEN-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](Cc1cc(C#N)n(C)c1)C1CC1 ZINC000191227644 169172626 /nfs/dbraw/zinc/17/26/26/169172626.db2.gz QWSXCGNUFLATTR-UHFFFAOYSA-N 1 0 217.316 2.271 20 30 BEEDRO CCCN(CCC[NH+](C)C)c1cccc(C#N)n1 ZINC000276086013 169156929 /nfs/dbraw/zinc/15/69/29/169156929.db2.gz GZHJKFWQPFDFRU-UHFFFAOYSA-N 1 0 246.358 2.121 20 30 BEEDRO CCCN(CC[NH+](CC)CC)CC1(C#N)CC1 ZINC000359578489 169157281 /nfs/dbraw/zinc/15/72/81/169157281.db2.gz IKEWYQAUGWDFRL-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO CCCN(c1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071332750 169182664 /nfs/dbraw/zinc/18/26/64/169182664.db2.gz YYJVCJRSBIMSOT-CQSZACIVSA-N 1 0 229.327 2.137 20 30 BEEDRO CCC[NH+]1CCC(Nc2ncccc2C#N)CC1 ZINC000042210417 169189223 /nfs/dbraw/zinc/18/92/23/169189223.db2.gz RSGQZNYERDKTPE-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CCCN1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000353971454 169196263 /nfs/dbraw/zinc/19/62/63/169196263.db2.gz JZYKYHKBNFSZBN-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(C#N)o1 ZINC000231393075 169383261 /nfs/dbraw/zinc/38/32/61/169383261.db2.gz IRACRZCDNUGEOB-NSHDSACASA-N 1 0 236.315 2.040 20 30 BEEDRO CCOCC[N@H+](C)CC(C)(C)CCC#N ZINC000181492869 134337054 /nfs/dbraw/zinc/33/70/54/134337054.db2.gz FIHNAUDXUBVXEE-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000193553003 259605531 /nfs/dbraw/zinc/60/55/31/259605531.db2.gz OZEOQWKOVADPAM-OLZOCXBDSA-N 1 0 238.375 2.367 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H](C)CO ZINC000059535826 1172548115 /nfs/dbraw/zinc/54/81/15/1172548115.db2.gz HMASFUWWKAKDKC-ZIAGYGMSSA-N 1 0 245.407 2.316 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC001644391968 1172553602 /nfs/dbraw/zinc/55/36/02/1172553602.db2.gz KTACGVFKBVWRGN-LBPRGKRZSA-N 1 0 244.338 2.019 20 30 BEEDRO CO[C@@H](C)C[N@H+](CCC#N)CCC(C)C ZINC000182210766 134343198 /nfs/dbraw/zinc/34/31/98/134343198.db2.gz NTQFLIIMDOBGHJ-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCCC#N ZINC000182630832 134346351 /nfs/dbraw/zinc/34/63/51/134346351.db2.gz AACRTTNLAWHACX-LLVKDONJSA-N 1 0 240.347 2.390 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165228349 169553883 /nfs/dbraw/zinc/55/38/83/169553883.db2.gz XLNGXVCIAKBAET-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC001644997115 1172626288 /nfs/dbraw/zinc/62/62/88/1172626288.db2.gz WBAYMYMLLIGYEH-AVGNSLFASA-N 1 0 209.333 2.024 20 30 BEEDRO C[N@H+](CCc1ccccn1)CCC(C)(C)C#N ZINC000087595111 383850731 /nfs/dbraw/zinc/85/07/31/383850731.db2.gz SFFCOEGBNSPNNM-UHFFFAOYSA-N 1 0 231.343 2.496 20 30 BEEDRO CC#CC[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000298355551 383851306 /nfs/dbraw/zinc/85/13/06/383851306.db2.gz MSLPXHHRSVBADB-CQSZACIVSA-N 1 0 217.312 2.065 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131811758 383862778 /nfs/dbraw/zinc/86/27/78/383862778.db2.gz QNIMNGFUSLUJMG-AWEZNQCLSA-N 1 0 245.326 2.229 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449333612 383880620 /nfs/dbraw/zinc/88/06/20/383880620.db2.gz HJAHGXHLFUMDES-IALDZJHCSA-N 1 0 224.348 2.472 20 30 BEEDRO CCN(CCC#N)Cc1ccc(OC)c(C#N)c1 ZINC000087829053 383870715 /nfs/dbraw/zinc/87/07/15/383870715.db2.gz HLNRIYISDIVZOR-UHFFFAOYSA-N 1 0 243.310 2.302 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000127357203 383878225 /nfs/dbraw/zinc/87/82/25/383878225.db2.gz WXUQNVONEAVCHZ-VHSXEESVSA-N 1 0 249.745 2.385 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000336164858 383935028 /nfs/dbraw/zinc/93/50/28/383935028.db2.gz RPCOJVJCVIMCKS-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CCCO[C@H](C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647151468 383928010 /nfs/dbraw/zinc/92/80/10/383928010.db2.gz HARIOAVKUPOINV-NXEZZACHSA-N 1 0 237.303 2.148 20 30 BEEDRO C=CCCO[C@@H](C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647151469 383929961 /nfs/dbraw/zinc/92/99/61/383929961.db2.gz HARIOAVKUPOINV-UWVGGRQHSA-N 1 0 237.303 2.148 20 30 BEEDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000339084163 383895612 /nfs/dbraw/zinc/89/56/12/383895612.db2.gz XYJSWWJBYUQNFK-ONGXEEELSA-N 1 0 236.290 2.119 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000560220494 383979521 /nfs/dbraw/zinc/97/95/21/383979521.db2.gz WUWGLADFQKFCKC-NWDGAFQWSA-N 1 0 247.404 2.096 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cc[nH]c(=O)c1 ZINC000339459380 383986613 /nfs/dbraw/zinc/98/66/13/383986613.db2.gz NMAMSGMUSLLSRQ-SECBINFHSA-N 1 0 243.266 2.103 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1cccc(C#N)c1 ZINC000339490468 383988936 /nfs/dbraw/zinc/98/89/36/383988936.db2.gz HHHYJFQWTIYANR-SNVBAGLBSA-N 1 0 206.264 2.396 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCO1 ZINC000334740280 383943129 /nfs/dbraw/zinc/94/31/29/383943129.db2.gz VGWWHRFDUWKIKB-MFKMUULPSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CS1 ZINC000334851983 383968588 /nfs/dbraw/zinc/96/85/88/383968588.db2.gz DPARKEPAUYHKAX-BDAKNGLRSA-N 1 0 222.313 2.135 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CS1 ZINC000334851988 383970703 /nfs/dbraw/zinc/97/07/03/383970703.db2.gz DPARKEPAUYHKAX-IUCAKERBSA-N 1 0 222.313 2.135 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCO1 ZINC000219901771 383971026 /nfs/dbraw/zinc/97/10/26/383971026.db2.gz NCWZTJOIPHWENH-NXEZZACHSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnn(C=C)c1 ZINC000278561729 384019245 /nfs/dbraw/zinc/01/92/45/384019245.db2.gz BHKFFYTXVZWFIC-UHFFFAOYSA-N 1 0 205.305 2.430 20 30 BEEDRO N#CCC[NH2+]CCc1cccc2cccnc21 ZINC000159375123 384015255 /nfs/dbraw/zinc/01/52/55/384015255.db2.gz MFRCHODUUOSHCW-UHFFFAOYSA-N 1 0 225.295 2.281 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000560265033 384029739 /nfs/dbraw/zinc/02/97/39/384029739.db2.gz BKRISPYRJGJGBU-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC(C)COCCC[NH2+]Cc1ccc(C#N)o1 ZINC000135135525 384055429 /nfs/dbraw/zinc/05/54/29/384055429.db2.gz LZNDDGRYWNNTBU-UHFFFAOYSA-N 1 0 236.315 2.304 20 30 BEEDRO C[C@H](C[NH2+][C@@H](C)c1cccc(C#N)c1)N(C)C ZINC000038087452 384057045 /nfs/dbraw/zinc/05/70/45/384057045.db2.gz GFGLFDKAIIDIII-NEPJUHHUSA-N 1 0 231.343 2.159 20 30 BEEDRO COc1ccc(C[NH2+]C[C@H]2C[C@H]2C)cc1C#N ZINC000135148416 384066303 /nfs/dbraw/zinc/06/63/03/384066303.db2.gz ZWODZKXOJFLHQG-ZWNOBZJWSA-N 1 0 230.311 2.312 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449164868 384118104 /nfs/dbraw/zinc/11/81/04/384118104.db2.gz RPHVKCBZWRLABD-MRFVTOPCSA-N 1 0 238.375 2.455 20 30 BEEDRO CCCC[N@H+](CCCO)Cc1ccc(C#N)o1 ZINC000289525558 384134481 /nfs/dbraw/zinc/13/44/81/384134481.db2.gz VRSKSJMWUWWSFJ-UHFFFAOYSA-N 1 0 236.315 2.136 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](O)c1ccccc1Cl ZINC000299177469 384122526 /nfs/dbraw/zinc/12/25/26/384122526.db2.gz YZMNUCOBBMKPDR-ZDUSSCGKSA-N 1 0 237.730 2.329 20 30 BEEDRO C[C@]1([NH2+]Cc2ccc(C#N)cc2F)CCCOC1 ZINC000221352185 384149860 /nfs/dbraw/zinc/14/98/60/384149860.db2.gz HPGLOWVMGQPURY-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO Cc1ccnc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1C#N ZINC000135197409 384175423 /nfs/dbraw/zinc/17/54/23/384175423.db2.gz NFNSPEXWTGGBMJ-NEPJUHHUSA-N 1 0 244.342 2.062 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000368455908 533041336 /nfs/dbraw/zinc/04/13/36/533041336.db2.gz VHVQISNRLOULAE-KBPBESRZSA-N 1 0 245.370 2.449 20 30 BEEDRO C#CCCNC(=[NH+]CC)N1CC[C@@](C)(CC)C1 ZINC000261677550 533043867 /nfs/dbraw/zinc/04/38/67/533043867.db2.gz CUDNMOPXWYYQGK-CQSZACIVSA-N 1 0 235.375 2.097 20 30 BEEDRO C=CC[C@H](C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000187304605 384207329 /nfs/dbraw/zinc/20/73/29/384207329.db2.gz WIBZLEIJWBAQMH-AWEZNQCLSA-N 1 0 246.354 2.024 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC1Cc2ccccc2C1 ZINC000558567732 384188707 /nfs/dbraw/zinc/18/87/07/384188707.db2.gz LPURBSYFTSQZLT-LBPRGKRZSA-N 1 0 228.339 2.493 20 30 BEEDRO COc1cc(C#N)ccc1CN1CC[C@H](F)C1 ZINC000336263100 384189237 /nfs/dbraw/zinc/18/92/37/384189237.db2.gz RAZDSFUUPPZNDX-LBPRGKRZSA-N 1 0 234.274 2.111 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)Nc1cnccc1C#N ZINC000135597397 384193939 /nfs/dbraw/zinc/19/39/39/384193939.db2.gz QEKUAUANUUJSJY-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000340381411 384196232 /nfs/dbraw/zinc/19/62/32/384196232.db2.gz XTPFAPOADKVLTR-CQSZACIVSA-N 1 0 244.338 2.258 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000374370301 384234138 /nfs/dbraw/zinc/23/41/38/384234138.db2.gz WWHFKDBXDCLLPY-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CC[C@H]2C)ccc1C#N ZINC000310348728 384239042 /nfs/dbraw/zinc/23/90/42/384239042.db2.gz GBHPFYVWQZXQCE-ZWNOBZJWSA-N 1 0 230.311 2.455 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000309701018 384213594 /nfs/dbraw/zinc/21/35/94/384213594.db2.gz MOTGVXJKWHLGMM-CQSZACIVSA-N 1 0 212.296 2.368 20 30 BEEDRO CCCNC(=[NH2+])NCCC1Cc2ccccc2C1 ZINC000158318521 384218513 /nfs/dbraw/zinc/21/85/13/384218513.db2.gz XZKLOVKTEPHWEC-UHFFFAOYSA-N 1 0 245.370 2.106 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000336417195 384224735 /nfs/dbraw/zinc/22/47/35/384224735.db2.gz PAWPQVPOLWZAHG-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C[N@@H+]1CCC[C@H](CNCc2ccc(C#N)s2)C1 ZINC000135691330 384275755 /nfs/dbraw/zinc/27/57/55/384275755.db2.gz WPDYRNGBTXHEAH-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO CC(C)(C#N)CCC[NH+]1CCSCC1 ZINC000083642686 384315911 /nfs/dbraw/zinc/31/59/11/384315911.db2.gz SXYRSBIJEJKSQC-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)s2)CO1 ZINC000335355884 384279583 /nfs/dbraw/zinc/27/95/83/384279583.db2.gz JDGIXQXVROTMDV-VIFPVBQESA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000134478892 384336164 /nfs/dbraw/zinc/33/61/64/384336164.db2.gz FCXDVRNNXMJDQB-SNVBAGLBSA-N 1 0 234.299 2.056 20 30 BEEDRO C=CCC[N@@H+]1CCNCC12CCCCC2 ZINC000083878099 384338811 /nfs/dbraw/zinc/33/88/11/384338811.db2.gz LDWONQBPYNQBHB-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO CC[NH+](CC)Cc1ccc(C#N)c(OC)c1 ZINC000233444827 384346725 /nfs/dbraw/zinc/34/67/25/384346725.db2.gz DJSRWYREYKXOIX-UHFFFAOYSA-N 1 0 218.300 2.409 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[NH+](CC)CC ZINC000179798463 384359076 /nfs/dbraw/zinc/35/90/76/384359076.db2.gz IVBVNIUQHGFYKL-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[N@@H+](CC(=O)OCC)C1CCCC1 ZINC000083244006 384367052 /nfs/dbraw/zinc/36/70/52/384367052.db2.gz BMZTWBNWABILRU-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO CC[C@H](CCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000094949393 384324348 /nfs/dbraw/zinc/32/43/48/384324348.db2.gz QDDQZLVMGROEOG-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165228861 384403677 /nfs/dbraw/zinc/40/36/77/384403677.db2.gz AQDHZZNVNKZQGP-SKDRFNHKSA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165228734 384404770 /nfs/dbraw/zinc/40/47/70/384404770.db2.gz AQDHZZNVNKZQGP-JOYOIKCWSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@H](C(=O)N=C1NCCS1)c1cccs1 ZINC000078024696 384426854 /nfs/dbraw/zinc/42/68/54/384426854.db2.gz ISPFYZRLJCBMFS-ZETCQYMHSA-N 1 0 240.353 2.071 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000313477050 384413681 /nfs/dbraw/zinc/41/36/81/384413681.db2.gz BHUJMGYNTVWLHN-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CCC[C@H]1O ZINC000248906645 384416929 /nfs/dbraw/zinc/41/69/29/384416929.db2.gz WQJAMEAYNNJBNB-HZPDHXFCSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CCOc1ccc(CN(C)CC(C)(C)[NH3+])cc1 ZINC000647513403 384417726 /nfs/dbraw/zinc/41/77/26/384417726.db2.gz YSCSSQCAWMWYGA-UHFFFAOYSA-N 1 0 248.370 2.421 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(Cl)cnn1C ZINC000313490889 384422076 /nfs/dbraw/zinc/42/20/76/384422076.db2.gz WEHVGWDHZXUXEQ-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000285232378 384423596 /nfs/dbraw/zinc/42/35/96/384423596.db2.gz BENJRYUZZCZWOE-OKILXGFUSA-N 1 0 230.311 2.167 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000362936039 384376338 /nfs/dbraw/zinc/37/63/38/384376338.db2.gz SPWHYJJJLWNUIN-GFCCVEGCSA-N 1 0 232.327 2.333 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1nccnc1C ZINC000188277581 384376348 /nfs/dbraw/zinc/37/63/48/384376348.db2.gz WETHOHGOMWSABY-LBPRGKRZSA-N 1 0 235.331 2.028 20 30 BEEDRO N#Cc1cc(C[NH2+]C2(CO)CCCC2)ccc1F ZINC000179065942 384381403 /nfs/dbraw/zinc/38/14/03/384381403.db2.gz GCXDSGPRDYGCHU-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000335848437 384382115 /nfs/dbraw/zinc/38/21/15/384382115.db2.gz UJQMQTSIQFGOTB-GFCCVEGCSA-N 1 0 217.316 2.271 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162352 384386563 /nfs/dbraw/zinc/38/65/63/384386563.db2.gz KEGLQPRZUFEBTD-JOYOIKCWSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1ccc(C#N)cc1 ZINC000157457747 384479611 /nfs/dbraw/zinc/47/96/11/384479611.db2.gz UVIIIRRCXMIEDE-GFCCVEGCSA-N 1 0 244.338 2.371 20 30 BEEDRO N#Cc1cccc(CNCc2ccc(F)cn2)c1 ZINC000344909776 384481744 /nfs/dbraw/zinc/48/17/44/384481744.db2.gz UAVDLVAYYRWYPA-UHFFFAOYSA-N 1 0 241.269 2.382 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnn2ccccc12 ZINC000229880246 384458642 /nfs/dbraw/zinc/45/86/42/384458642.db2.gz VTSDTXGUECXMNZ-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO C[C@H]1CCN(C[C@@H](C#N)CCC#N)CCS1 ZINC000249017591 384458732 /nfs/dbraw/zinc/45/87/32/384458732.db2.gz KHKBCXOTKWQMGY-NWDGAFQWSA-N 1 0 237.372 2.257 20 30 BEEDRO C[C@@H]1CCN(C[C@@H](C#N)CCC#N)CCS1 ZINC000249017593 384458790 /nfs/dbraw/zinc/45/87/90/384458790.db2.gz KHKBCXOTKWQMGY-VXGBXAGGSA-N 1 0 237.372 2.257 20 30 BEEDRO C[NH+](C)CCNc1ccc(C#N)c(Cl)c1 ZINC000037393458 384496183 /nfs/dbraw/zinc/49/61/83/384496183.db2.gz SZMKWQUBZSOKTD-UHFFFAOYSA-N 1 0 223.707 2.185 20 30 BEEDRO CNC(NCc1ccccc1OCC(C)C)=[NH+]C ZINC000161541043 384502439 /nfs/dbraw/zinc/50/24/39/384502439.db2.gz INBFGHQAZYTJSP-UHFFFAOYSA-N 1 0 249.358 2.016 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1CC ZINC000249402458 384506517 /nfs/dbraw/zinc/50/65/17/384506517.db2.gz CLJVWXDWHYEZCM-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000289870065 384506805 /nfs/dbraw/zinc/50/68/05/384506805.db2.gz LTIPWMSOWFKDOI-NSHDSACASA-N 1 0 240.310 2.441 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000079736482 384510873 /nfs/dbraw/zinc/51/08/73/384510873.db2.gz BKWGXWURXUYVFU-ZDUSSCGKSA-N 1 0 248.326 2.104 20 30 BEEDRO C#CCC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000371716813 533068827 /nfs/dbraw/zinc/06/88/27/533068827.db2.gz PPBORWLNEMPJIW-HNNXBMFYSA-N 1 0 239.322 2.122 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCN1CCCC1=O ZINC000150873796 384517480 /nfs/dbraw/zinc/51/74/80/384517480.db2.gz AWDLVTBBYLWBQL-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccc(C#N)cc1 ZINC000097439826 384519389 /nfs/dbraw/zinc/51/93/89/384519389.db2.gz CNLGCFPIYNZKET-NWDGAFQWSA-N 1 0 232.327 2.227 20 30 BEEDRO CCC[C@H](C)[N@H+](C)CC(=O)Nc1nncs1 ZINC000049237706 384524010 /nfs/dbraw/zinc/52/40/10/384524010.db2.gz ZRWSOSWMPZKIIO-QMMMGPOBSA-N 1 0 242.348 2.247 20 30 BEEDRO CSCCC[NH2+]Cc1cccc(C#N)c1 ZINC000037748769 384528951 /nfs/dbraw/zinc/52/89/51/384528951.db2.gz XTUIRBSOKXTMFK-UHFFFAOYSA-N 1 0 220.341 2.401 20 30 BEEDRO C[NH2+]C[C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423280322 384530259 /nfs/dbraw/zinc/53/02/59/384530259.db2.gz UMLYMJOYIMLKSD-QWRGUYRKSA-N 1 0 249.333 2.203 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000335883171 384553214 /nfs/dbraw/zinc/55/32/14/384553214.db2.gz MNXLKBAMQJTVLG-YPMHNXCESA-N 1 0 215.300 2.172 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C)C1 ZINC000076735387 384560717 /nfs/dbraw/zinc/56/07/17/384560717.db2.gz VVZGQIHMUIDILV-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000643794188 384539098 /nfs/dbraw/zinc/53/90/98/384539098.db2.gz IXGLKNNJDUEKRM-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000643794187 384540670 /nfs/dbraw/zinc/54/06/70/384540670.db2.gz IXGLKNNJDUEKRM-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C#C[C@H](CC)NC1CC[NH+](C(C)(C)C)CC1 ZINC000310026166 384572063 /nfs/dbraw/zinc/57/20/63/384572063.db2.gz PJVSDBLCKXMFDJ-GFCCVEGCSA-N 1 0 222.376 2.251 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000309745064 384578712 /nfs/dbraw/zinc/57/87/12/384578712.db2.gz FIVUQQZOHRXRIK-OUCADQQQSA-N 1 0 222.376 2.271 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](C#N)CCC#N ZINC000561235001 384582871 /nfs/dbraw/zinc/58/28/71/384582871.db2.gz TVULVIPLOIAWBH-NSHDSACASA-N 1 0 205.305 2.232 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000151352488 384567773 /nfs/dbraw/zinc/56/77/73/384567773.db2.gz RBAHVJUOJIJXFH-VXGBXAGGSA-N 1 0 211.349 2.434 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccc(C#N)s2)CC1(C)C ZINC000565159986 384615893 /nfs/dbraw/zinc/61/58/93/384615893.db2.gz ARUUWVNMDHJEON-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000309605620 384625135 /nfs/dbraw/zinc/62/51/35/384625135.db2.gz XTHKKFYRGLYQMO-LBPRGKRZSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC000401451276 384592794 /nfs/dbraw/zinc/59/27/94/384592794.db2.gz AFXUYFNJGUQJHK-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO CCN(CCC#N)Cc1ccc(OC)cc1 ZINC000051406187 384665878 /nfs/dbraw/zinc/66/58/78/384665878.db2.gz CSJULHOIFIVSGI-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CCO1 ZINC000341476562 384724881 /nfs/dbraw/zinc/72/48/81/384724881.db2.gz XTKVQRYIBAYIQN-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000300422751 384682975 /nfs/dbraw/zinc/68/29/75/384682975.db2.gz KNEAJOASTGPUES-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C#N)c1 ZINC000311072863 384686890 /nfs/dbraw/zinc/68/68/90/384686890.db2.gz KLFHDGZFXTUYPU-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccccc1C#N ZINC000556958004 384687373 /nfs/dbraw/zinc/68/73/73/384687373.db2.gz BFPLPDOHHAEZOU-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368051251 384713866 /nfs/dbraw/zinc/71/38/66/384713866.db2.gz LHXUDOQJYHVWJY-SQWLQELKSA-N 1 0 242.366 2.433 20 30 BEEDRO C=C(C[NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1 ZINC000402372013 384731261 /nfs/dbraw/zinc/73/12/61/384731261.db2.gz YREHPENESSXDTC-OCCSQVGLSA-N 1 0 217.312 2.467 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000335990368 384746731 /nfs/dbraw/zinc/74/67/31/384746731.db2.gz KSPBKBCYHCOFTL-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000518156666 384748287 /nfs/dbraw/zinc/74/82/87/384748287.db2.gz LZJZZLFJFADUGT-OLZOCXBDSA-N 1 0 211.349 2.293 20 30 BEEDRO N#Cc1csc(CNCc2ccccc2)n1 ZINC000307701868 384760745 /nfs/dbraw/zinc/76/07/45/384760745.db2.gz SPZWRPGFDLUKQD-UHFFFAOYSA-N 1 0 229.308 2.305 20 30 BEEDRO Cc1ccnc(NCC(C)(C)C[NH+](C)C)c1C#N ZINC000135056926 384818292 /nfs/dbraw/zinc/81/82/92/384818292.db2.gz AXZDCAPXRPDQJY-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(C#N)s1 ZINC000176968574 384833528 /nfs/dbraw/zinc/83/35/28/384833528.db2.gz UUSCTKUWFQJYQZ-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310030651 384799197 /nfs/dbraw/zinc/79/91/97/384799197.db2.gz QZRFIBHIERXXDP-LOWDOPEQSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](CCO)C1 ZINC000083640394 384800832 /nfs/dbraw/zinc/80/08/32/384800832.db2.gz QYGFGFGOWKVEEK-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccsc1 ZINC000297407706 384804988 /nfs/dbraw/zinc/80/49/88/384804988.db2.gz SZJJLNSOVLIAJL-QWRGUYRKSA-N 1 0 211.330 2.336 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1cccnc1 ZINC000104152570 384805332 /nfs/dbraw/zinc/80/53/32/384805332.db2.gz JOUKMUNXBTZRGG-UHFFFAOYSA-N 1 0 234.347 2.066 20 30 BEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@H](C)CO)c1 ZINC000104177095 384806450 /nfs/dbraw/zinc/80/64/50/384806450.db2.gz ARVPXBQKDJNPJF-NSHDSACASA-N 1 0 249.358 2.165 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174554899 384807399 /nfs/dbraw/zinc/80/73/99/384807399.db2.gz QBODDBRMGGLDNS-JTQLQIEISA-N 1 0 236.315 2.444 20 30 BEEDRO CC(C)[NH+]1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC000174579323 384813271 /nfs/dbraw/zinc/81/32/71/384813271.db2.gz PRUIYUCXFVGJRK-HNNXBMFYSA-N 1 0 243.354 2.277 20 30 BEEDRO CCCC(N)=NOCc1ccccc1[N+](=O)[O-] ZINC000105605779 384876014 /nfs/dbraw/zinc/87/60/14/384876014.db2.gz KYQKPNDQZQUHBU-UHFFFAOYSA-N 1 0 237.259 2.184 20 30 BEEDRO CCCC(N)=NOCc1ccc([N+](=O)[O-])cc1 ZINC000105605280 384876895 /nfs/dbraw/zinc/87/68/95/384876895.db2.gz AYRVIJYIWQDDPA-UHFFFAOYSA-N 1 0 237.259 2.184 20 30 BEEDRO CCCC(N)=NOCc1csc(CC)n1 ZINC000105606064 384877099 /nfs/dbraw/zinc/87/70/99/384877099.db2.gz VZYMMAMVRDYMJW-UHFFFAOYSA-N 1 0 227.333 2.294 20 30 BEEDRO C=C1CC[NH+](CCc2cscn2)CC1 ZINC000297534155 384839387 /nfs/dbraw/zinc/83/93/87/384839387.db2.gz PKVSIJDNMPDKLS-UHFFFAOYSA-N 1 0 208.330 2.338 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177152591 384888253 /nfs/dbraw/zinc/88/82/53/384888253.db2.gz LFRRNPLZHLBOBG-RYUDHWBXSA-N 1 0 236.359 2.084 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179371855 384860310 /nfs/dbraw/zinc/86/03/10/384860310.db2.gz IHRQOCSMVGBTQS-VIFPVBQESA-N 1 0 224.329 2.086 20 30 BEEDRO C=C(C)C[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000119621681 384868697 /nfs/dbraw/zinc/86/86/97/384868697.db2.gz ORYMNULBXWWCLV-UHFFFAOYSA-N 1 0 207.321 2.373 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000193343737 384950577 /nfs/dbraw/zinc/95/05/77/384950577.db2.gz LVKCRVIDGRWCQA-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@@H](CC(=O)NCC[C@H](C)[NH3+])c1ccccc1 ZINC000580315842 384951029 /nfs/dbraw/zinc/95/10/29/384951029.db2.gz PVIKCPJRUYZRDZ-STQMWFEESA-N 1 0 246.354 2.200 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1(OC)CCCCC1 ZINC000320307339 384922286 /nfs/dbraw/zinc/92/22/86/384922286.db2.gz UQDIXLJMWUOOHO-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[NH2+][C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000152053106 384924183 /nfs/dbraw/zinc/92/41/83/384924183.db2.gz INEIFUGJJAIWTC-WCQYABFASA-N 1 0 233.311 2.312 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OCC)co1 ZINC000309936561 384929175 /nfs/dbraw/zinc/92/91/75/384929175.db2.gz AFQOZBQKGWSVBH-SECBINFHSA-N 1 0 223.272 2.120 20 30 BEEDRO CC(C)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000085260974 384930254 /nfs/dbraw/zinc/93/02/54/384930254.db2.gz QTJJSDZCLSKJCP-UHFFFAOYSA-N 1 0 235.331 2.046 20 30 BEEDRO N#CCC[C@@H](C#N)C[N@@H+]1CCC2(CCC2)C1 ZINC000156806698 384976106 /nfs/dbraw/zinc/97/61/06/384976106.db2.gz XPXGBMSGGQTZQV-LBPRGKRZSA-N 1 0 217.316 2.306 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000449698837 384983079 /nfs/dbraw/zinc/98/30/79/384983079.db2.gz PDZIJOCWYANERD-HNNXBMFYSA-N 1 0 244.338 2.283 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000193567393 384986550 /nfs/dbraw/zinc/98/65/50/384986550.db2.gz YUBPFISSJPNNIZ-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO CC#CCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000156824313 384987242 /nfs/dbraw/zinc/98/72/42/384987242.db2.gz ZONJCHOUGCKEIL-CYBMUJFWSA-N 1 0 231.343 2.143 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336236034 384991473 /nfs/dbraw/zinc/99/14/73/384991473.db2.gz JHNDNMYWQUUFSY-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)c1ccccc1 ZINC000107683418 384993105 /nfs/dbraw/zinc/99/31/05/384993105.db2.gz XPKYAKOBUMAYSQ-UHFFFAOYSA-N 1 0 204.317 2.241 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC(N)=O)c1ccccc1 ZINC000644603862 384998267 /nfs/dbraw/zinc/99/82/67/384998267.db2.gz KTFYWHPIKZXQJQ-CYBMUJFWSA-N 1 0 232.327 2.159 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000306496231 385001011 /nfs/dbraw/zinc/00/10/11/385001011.db2.gz DEKZIEPLMBLMDQ-JGVFFNPUSA-N 1 0 200.232 2.066 20 30 BEEDRO C#CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000491485300 385001423 /nfs/dbraw/zinc/00/14/23/385001423.db2.gz OBJKDUAJTDQFOQ-UHFFFAOYSA-N 1 0 240.350 2.147 20 30 BEEDRO CC#CCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000644618069 385008082 /nfs/dbraw/zinc/00/80/82/385008082.db2.gz UJHLEXRJMGFEIJ-UHFFFAOYSA-N 1 0 248.301 2.157 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000188868736 385013974 /nfs/dbraw/zinc/01/39/74/385013974.db2.gz DOJGYODYJPEFPA-CYBMUJFWSA-N 1 0 236.315 2.302 20 30 BEEDRO C=C(C[NH2+]C[C@@H](O)CCOCC)c1ccccc1 ZINC000644647329 385052212 /nfs/dbraw/zinc/05/22/12/385052212.db2.gz QADCHCHDGLTJAH-HNNXBMFYSA-N 1 0 249.354 2.077 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000306516431 385052203 /nfs/dbraw/zinc/05/22/03/385052203.db2.gz XZXKAZYAHUBDBO-MWLCHTKSSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCOC1 ZINC000309475592 134441550 /nfs/dbraw/zinc/44/15/50/134441550.db2.gz RURDFSWWEWANOK-ZDEQEGDKSA-N 1 0 222.332 2.083 20 30 BEEDRO N#CCCCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157119012 385078867 /nfs/dbraw/zinc/07/88/67/385078867.db2.gz HFFROWKVTJIYFM-CQSZACIVSA-N 1 0 235.375 2.240 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cc(C#N)cs1)N(C)C1CC1 ZINC000177697130 385081879 /nfs/dbraw/zinc/08/18/79/385081879.db2.gz YBVOCNGAKMYFKT-JTQLQIEISA-N 1 0 249.383 2.192 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@@H]1CCCO1 ZINC000381491773 385081937 /nfs/dbraw/zinc/08/19/37/385081937.db2.gz YEPOSNVAOCENBM-AVGNSLFASA-N 1 0 224.348 2.473 20 30 BEEDRO COCC1(CC[NH2+]C[C@H](C#N)CCC#N)CCC1 ZINC000569352520 385023855 /nfs/dbraw/zinc/02/38/55/385023855.db2.gz SQWPHPPPMAXNGR-ZDUSSCGKSA-N 1 0 249.358 2.226 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)s2)CCCO1 ZINC000135504880 385032388 /nfs/dbraw/zinc/03/23/88/385032388.db2.gz AVEVVLLTGPPXNO-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@H](CNc1ncccc1C#N)C[NH+]1CCCC1 ZINC000058003230 385116905 /nfs/dbraw/zinc/11/69/05/385116905.db2.gz SUABRRSUARWRDA-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO CCOC(=O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000157247591 385123303 /nfs/dbraw/zinc/12/33/03/385123303.db2.gz JSJBRFVYEYTXFW-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C#CC[N@@H+](CCC[C@H](C)O)Cc1ccccc1 ZINC000491210151 385134088 /nfs/dbraw/zinc/13/40/88/385134088.db2.gz QNRXXCWAIPSUBL-AWEZNQCLSA-N 1 0 231.339 2.283 20 30 BEEDRO CC#CC[N@H+](C)CCOc1ccccc1 ZINC000157358661 385137257 /nfs/dbraw/zinc/13/72/57/385137257.db2.gz GOVMJIOLGYGCIG-UHFFFAOYSA-N 1 0 203.285 2.021 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000177907105 385139322 /nfs/dbraw/zinc/13/93/22/385139322.db2.gz SLSNVLSPBUWGDB-LBPRGKRZSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000177907120 385139423 /nfs/dbraw/zinc/13/94/23/385139423.db2.gz SLSNVLSPBUWGDB-GFCCVEGCSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000559638217 385089848 /nfs/dbraw/zinc/08/98/48/385089848.db2.gz CVTMEBMQRBRYJP-CABCVRRESA-N 1 0 246.354 2.198 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000177736117 385092303 /nfs/dbraw/zinc/09/23/03/385092303.db2.gz SDVIYJDKGGGNSN-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCCC#N)[C@@H](C)C1 ZINC000308773124 385095619 /nfs/dbraw/zinc/09/56/19/385095619.db2.gz YFFDIEAWGVAITG-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336254961 385103420 /nfs/dbraw/zinc/10/34/20/385103420.db2.gz KKQFLRUWMZTMSA-IUODEOHRSA-N 1 0 244.338 2.098 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)C1CC1 ZINC000308824956 385192780 /nfs/dbraw/zinc/19/27/80/385192780.db2.gz DHWRXDOHIQZNJX-LOWVWBTDSA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](C)C1CCOCC1 ZINC000308832802 385199952 /nfs/dbraw/zinc/19/99/52/385199952.db2.gz GWHUHEGBEIROFX-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000189288297 385148583 /nfs/dbraw/zinc/14/85/83/385148583.db2.gz JVQITQJKMUXURL-WHOFXGATSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000304749003 385151134 /nfs/dbraw/zinc/15/11/34/385151134.db2.gz WLZBRORVKIWFKE-AAEUAGOBSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449757701 385154468 /nfs/dbraw/zinc/15/44/68/385154468.db2.gz UELGWMLAWVXIIZ-RWMBFGLXSA-N 1 0 238.375 2.365 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000263846581 385154514 /nfs/dbraw/zinc/15/45/14/385154514.db2.gz ZRDGEUUIJFCRJL-NSHDSACASA-N 1 0 218.300 2.073 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)c1ccccc1F ZINC000644783412 385158095 /nfs/dbraw/zinc/15/80/95/385158095.db2.gz LTZIBWWUDDEMFF-UHFFFAOYSA-N 1 0 235.302 2.300 20 30 BEEDRO C=C(CC)CN1CCCC[C@@H]1C(=O)OCC ZINC000157424714 385172520 /nfs/dbraw/zinc/17/25/20/385172520.db2.gz SPWWCQVYTFLWPB-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCOC1 ZINC000178339764 385229745 /nfs/dbraw/zinc/22/97/45/385229745.db2.gz XGNZROWATPPNJX-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO N#CCCCC[NH2+]Cc1cncc(F)c1 ZINC000308894113 385247019 /nfs/dbraw/zinc/24/70/19/385247019.db2.gz ZAIWDNTTWBBDLR-UHFFFAOYSA-N 1 0 207.252 2.004 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)c1nccn1C ZINC000280094854 385253449 /nfs/dbraw/zinc/25/34/49/385253449.db2.gz NWEVUONAOZGSRV-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSC2)c(F)c1 ZINC000167373498 385311526 /nfs/dbraw/zinc/31/15/26/385311526.db2.gz CBXPPIILHSSFOP-LLVKDONJSA-N 1 0 236.315 2.292 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644732060 385272213 /nfs/dbraw/zinc/27/22/13/385272213.db2.gz IBVIDPHLHXMPDR-KGLIPLIRSA-N 1 0 222.376 2.369 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1cc(C)cc(OC)c1 ZINC000130645353 385272840 /nfs/dbraw/zinc/27/28/40/385272840.db2.gz RXLYBXIUHZKXAM-UHFFFAOYSA-N 1 0 249.358 2.160 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000448278471 385287124 /nfs/dbraw/zinc/28/71/24/385287124.db2.gz MFKJYHAIAINDOO-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO N#CC1CCC(C[NH2+][C@@H]2CCSC2)CC1 ZINC000308941042 385299745 /nfs/dbraw/zinc/29/97/45/385299745.db2.gz QDULLHXOUKKUHD-HTAVTVPLSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228088721 385333314 /nfs/dbraw/zinc/33/33/14/385333314.db2.gz TZJGCIAJUAFQBL-AWEZNQCLSA-N 1 0 246.354 2.419 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(CC)cn1 ZINC000491647025 385346617 /nfs/dbraw/zinc/34/66/17/385346617.db2.gz VZRMSWKZEOEEKE-UHFFFAOYSA-N 1 0 216.328 2.488 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000309022761 385364599 /nfs/dbraw/zinc/36/45/99/385364599.db2.gz YGLHFDRULWLHAH-STQMWFEESA-N 1 0 211.349 2.338 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC000280928249 385384002 /nfs/dbraw/zinc/38/40/02/385384002.db2.gz FGTKHIIPDIIRSR-LLVKDONJSA-N 1 0 221.275 2.319 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000309087868 385412343 /nfs/dbraw/zinc/41/23/43/385412343.db2.gz ABFLVRCPQMHGFR-NEPJUHHUSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309087880 385412401 /nfs/dbraw/zinc/41/24/01/385412401.db2.gz ABFLVRCPQMHGFR-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000309104022 385421252 /nfs/dbraw/zinc/42/12/52/385421252.db2.gz HBLXMVBYGIOQBE-YVECIDJPSA-N 1 0 211.349 2.338 20 30 BEEDRO CN(C)CC1([NH2+]Cc2cc(C#N)cs2)CCC1 ZINC000341516327 385444993 /nfs/dbraw/zinc/44/49/93/385444993.db2.gz WIUAXXVGVVVWPO-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911136 385454324 /nfs/dbraw/zinc/45/43/24/385454324.db2.gz IBIYPVPQZWSYOH-STQMWFEESA-N 1 0 249.333 2.242 20 30 BEEDRO CC[C@H](CNC(=[NH2+])N(C)C)c1ccccc1 ZINC000170907690 385454791 /nfs/dbraw/zinc/45/47/91/385454791.db2.gz UFEUTJBIYZVYJN-LLVKDONJSA-N 1 0 219.332 2.057 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@@H]1c1cccc(F)c1)N(C)C ZINC000170911242 385455046 /nfs/dbraw/zinc/45/50/46/385455046.db2.gz ARWXMWWXPYNBAF-OLZOCXBDSA-N 1 0 249.333 2.161 20 30 BEEDRO CC(C)c1ccc(OCCNC(=[NH2+])N(C)C)cc1 ZINC000170907341 385455305 /nfs/dbraw/zinc/45/53/05/385455305.db2.gz YQTSCTXLWKRGNJ-UHFFFAOYSA-N 1 0 249.358 2.065 20 30 BEEDRO CCCCOCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309141733 385432600 /nfs/dbraw/zinc/43/26/00/385432600.db2.gz HIRRCLBQPFXNMC-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@H](C)C[N@H+](CCC#N)CC(C)(C)C ZINC000182184887 385434605 /nfs/dbraw/zinc/43/46/05/385434605.db2.gz KSSKQTDXADQWSF-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cncn1C ZINC000182683463 385469160 /nfs/dbraw/zinc/46/91/60/385469160.db2.gz VBGZLCOFGHEVTK-LLVKDONJSA-N 1 0 207.321 2.255 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cnccc1C#N ZINC000290793778 385506957 /nfs/dbraw/zinc/50/69/57/385506957.db2.gz XUGGYQLEADUYJW-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc(C#N)c1 ZINC000181580488 385515221 /nfs/dbraw/zinc/51/52/21/385515221.db2.gz HEYPRRKOYKHQQQ-SWLSCSKDSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)[C@H]1CCCOC1 ZINC000309417873 385575134 /nfs/dbraw/zinc/57/51/34/385575134.db2.gz JMMIRHKFVPANFP-RYUDHWBXSA-N 1 0 242.388 2.038 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC2(CCOC2)CC1 ZINC000591022137 385551989 /nfs/dbraw/zinc/55/19/89/385551989.db2.gz WWEPWJCZKAYUJD-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000309407168 385573087 /nfs/dbraw/zinc/57/30/87/385573087.db2.gz BBBQRAPDIGHXQS-QJPTWQEYSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCc1ccn(C)n1 ZINC000309454764 385593700 /nfs/dbraw/zinc/59/37/00/385593700.db2.gz LZVYKZPFEUUVIN-GFCCVEGCSA-N 1 0 221.348 2.297 20 30 BEEDRO CCC(C)(C)OCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000308551163 385579012 /nfs/dbraw/zinc/57/90/12/385579012.db2.gz XHADGAMNIWRIHD-UHFFFAOYSA-N 1 0 249.358 2.192 20 30 BEEDRO CC(C)(CO)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309420308 385579061 /nfs/dbraw/zinc/57/90/61/385579061.db2.gz ZNCCSFYOYMMFBW-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000309440429 385583339 /nfs/dbraw/zinc/58/33/39/385583339.db2.gz IIGUNXVODTUXJA-MBNYWOFBSA-N 1 0 222.376 2.413 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1cc(C#N)cs1)OC ZINC000336678735 385619423 /nfs/dbraw/zinc/61/94/23/385619423.db2.gz IFZDWRAGCXVNGB-JTQLQIEISA-N 1 0 224.329 2.134 20 30 BEEDRO CC[C@@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596431 385622787 /nfs/dbraw/zinc/62/27/87/385622787.db2.gz QHLOKWSFIMRZGE-GHMZBOCLSA-N 1 0 212.337 2.017 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOC(F)(F)F)C1 ZINC000336679747 385626125 /nfs/dbraw/zinc/62/61/25/385626125.db2.gz NXYDKVKYRVKBPQ-DTWKUNHWSA-N 1 0 236.237 2.195 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1nc(C#N)cs1 ZINC000308883460 385630179 /nfs/dbraw/zinc/63/01/79/385630179.db2.gz VAJHNKNLCHYVCO-MRVPVSSYSA-N 1 0 221.329 2.293 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000451076294 385645718 /nfs/dbraw/zinc/64/57/18/385645718.db2.gz GPGLTJGIEHPFDL-UKRRQHHQSA-N 1 0 231.339 2.106 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(CO)CCC1)C1CC1 ZINC000184524842 385671773 /nfs/dbraw/zinc/67/17/73/385671773.db2.gz NIKQBTVAJCHDPE-ZDUSSCGKSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000309554164 385686996 /nfs/dbraw/zinc/68/69/96/385686996.db2.gz GYYNEKKPDJGUNH-AAEUAGOBSA-N 1 0 237.730 2.464 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000309585430 385717854 /nfs/dbraw/zinc/71/78/54/385717854.db2.gz SABYWSRFSFNTSB-LLVKDONJSA-N 1 0 218.304 2.071 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1nnc2ccccn21 ZINC000182677035 385695087 /nfs/dbraw/zinc/69/50/87/385695087.db2.gz LHDDTLDZZOUJGO-LLVKDONJSA-N 1 0 243.314 2.074 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000265999540 533140027 /nfs/dbraw/zinc/14/00/27/533140027.db2.gz NBYVDFRNXGBNIX-HNNXBMFYSA-N 1 0 231.339 2.139 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2nccs2)C1 ZINC000309569129 385704947 /nfs/dbraw/zinc/70/49/47/385704947.db2.gz MGCKTIFUQVDQOZ-QWRGUYRKSA-N 1 0 235.356 2.358 20 30 BEEDRO N#CCCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000309574684 385706494 /nfs/dbraw/zinc/70/64/94/385706494.db2.gz OIGCNPYTPUFWGE-CYBMUJFWSA-N 1 0 215.300 2.426 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491730902 385709185 /nfs/dbraw/zinc/70/91/85/385709185.db2.gz AABOGBOLFLKTTM-UKRRQHHQSA-N 1 0 231.339 2.106 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](O)[C@H](C)c1ccccc1 ZINC000491730893 385709495 /nfs/dbraw/zinc/70/94/95/385709495.db2.gz AABOGBOLFLKTTM-HIFRSBDPSA-N 1 0 231.339 2.106 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000495680348 385666507 /nfs/dbraw/zinc/66/65/07/385666507.db2.gz SWTQSQDPSAPOSC-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336653211 385666772 /nfs/dbraw/zinc/66/67/72/385666772.db2.gz JAVRTNVYVRZIDS-ZJUUUORDSA-N 1 0 235.249 2.099 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185515690 385732028 /nfs/dbraw/zinc/73/20/28/385732028.db2.gz UGFLZYCPNWENER-UHFFFAOYSA-N 1 0 222.263 2.315 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336654936 385738743 /nfs/dbraw/zinc/73/87/43/385738743.db2.gz GZQIQYAECOGCDZ-UTUOFQBUSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H](CNc1ccc(C#N)nc1)C[NH+]1CCCC1 ZINC000129232370 385739563 /nfs/dbraw/zinc/73/95/63/385739563.db2.gz QIXXYWOQOZMLJP-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO Cc1cc(C[N@@H+](C)CC2(O)CCC2)ccc1C#N ZINC000488324864 385749282 /nfs/dbraw/zinc/74/92/82/385749282.db2.gz VXXRSPJJLSIVDC-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000188563123 385768433 /nfs/dbraw/zinc/76/84/33/385768433.db2.gz BJLFJJZZUZYKOM-TZMCWYRMSA-N 1 0 221.344 2.432 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000336739986 385780943 /nfs/dbraw/zinc/78/09/43/385780943.db2.gz TWYRCNHJIYZYMI-SNVBAGLBSA-N 1 0 206.289 2.317 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000186693292 385781108 /nfs/dbraw/zinc/78/11/08/385781108.db2.gz SPMQKKRMURHZPM-JSGCOSHPSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000336739985 385781449 /nfs/dbraw/zinc/78/14/49/385781449.db2.gz TWYRCNHJIYZYMI-JTQLQIEISA-N 1 0 206.289 2.317 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccnc1Cl ZINC000186709439 385784362 /nfs/dbraw/zinc/78/43/62/385784362.db2.gz RQNPDBJPMJCFAB-NXEZZACHSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)o1 ZINC000186714726 385784879 /nfs/dbraw/zinc/78/48/79/385784879.db2.gz VBZITHKMBYGNLN-MNOVXSKESA-N 1 0 209.289 2.176 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC(CC)CC1 ZINC000186720707 385785150 /nfs/dbraw/zinc/78/51/50/385785150.db2.gz COXHKYXWQZXNRN-WXRRBKDZSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccc(C#N)cc1 ZINC000397857012 385724389 /nfs/dbraw/zinc/72/43/89/385724389.db2.gz MNVQSCAEUFXJAR-GFCCVEGCSA-N 1 0 243.354 2.303 20 30 BEEDRO CC[C@@]1(C)COCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602614711 385809991 /nfs/dbraw/zinc/80/99/91/385809991.db2.gz GKTWHVGQLAGFNQ-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000602687037 385813567 /nfs/dbraw/zinc/81/35/67/385813567.db2.gz HIJXLICYXFKNBJ-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602723895 385818018 /nfs/dbraw/zinc/81/80/18/385818018.db2.gz HYZGLFPALYKEIE-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO CCC[C@H](CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602723894 385818196 /nfs/dbraw/zinc/81/81/96/385818196.db2.gz HYZGLFPALYKEIE-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1csc(C)c1 ZINC000320250898 385819394 /nfs/dbraw/zinc/81/93/94/385819394.db2.gz IDMMKCKAKCESFA-GFCCVEGCSA-N 1 0 225.357 2.473 20 30 BEEDRO CC(C)[NH+]1CCC(N(C)CC2(CC#N)CC2)CC1 ZINC000602772961 385819977 /nfs/dbraw/zinc/81/99/77/385819977.db2.gz WUEJWZGXXIZERW-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO CCCCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853554 385827276 /nfs/dbraw/zinc/82/72/76/385827276.db2.gz JYAAICBASIINBC-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000451563107 385902454 /nfs/dbraw/zinc/90/24/54/385902454.db2.gz JPRMXQKNIUGNAY-GDBMZVCRSA-N 1 0 243.350 2.395 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCC[C@H]1O ZINC000230946451 385902674 /nfs/dbraw/zinc/90/26/74/385902674.db2.gz FKTRZEFCNCMRSH-HUUCEWRRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H](Nc1cccc(C#N)n1)C1=CC[N@H+](C)CC1 ZINC000541900467 385866736 /nfs/dbraw/zinc/86/67/36/385866736.db2.gz BIFDTPYPLWEZIH-NSHDSACASA-N 1 0 242.326 2.016 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414129843 385976796 /nfs/dbraw/zinc/97/67/96/385976796.db2.gz VNKJUODKGBBVTM-BZPMIXESSA-N 1 0 222.376 2.271 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000414143989 385991434 /nfs/dbraw/zinc/99/14/34/385991434.db2.gz JFJXHCUTDRMZHR-YNEHKIRRSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CC ZINC000189411331 385993306 /nfs/dbraw/zinc/99/33/06/385993306.db2.gz QUHSFJUTTOZUKX-TUAOUCFPSA-N 1 0 226.364 2.044 20 30 BEEDRO COCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000397238073 385947794 /nfs/dbraw/zinc/94/77/94/385947794.db2.gz ZADXDRPETJBMGB-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO COCCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000397238071 385947841 /nfs/dbraw/zinc/94/78/41/385947841.db2.gz ZADXDRPETJBMGB-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](O)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000228041949 385967483 /nfs/dbraw/zinc/96/74/83/385967483.db2.gz AKOQBCAMRGSCRB-RYUDHWBXSA-N 1 0 232.327 2.370 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000414155507 386003577 /nfs/dbraw/zinc/00/35/77/386003577.db2.gz VCRNOGNYFFVOGQ-LBELIVKGSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@](C)(CC)c1nc(C2([NH3+])CCC2)no1 ZINC000414630026 386005329 /nfs/dbraw/zinc/00/53/29/386005329.db2.gz SMKZOUQUKRPPMD-LLVKDONJSA-N 1 0 221.304 2.261 20 30 BEEDRO C[N@H+](Cc1ccoc1)[C@H]1CC[C@@H](C#N)C1 ZINC000335068291 386012332 /nfs/dbraw/zinc/01/23/32/386012332.db2.gz LSGMOYZRNZUTDS-PWSUYJOCSA-N 1 0 204.273 2.404 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)c2nccn21 ZINC000414168694 386016014 /nfs/dbraw/zinc/01/60/14/386016014.db2.gz QXUVTICWHMIQKJ-MNOVXSKESA-N 1 0 232.331 2.418 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)nn1C ZINC000414172223 386018374 /nfs/dbraw/zinc/01/83/74/386018374.db2.gz VTXKPJUYQBAREQ-LLVKDONJSA-N 1 0 234.347 2.319 20 30 BEEDRO C=CCCCCCN(C)C(=O)C(C)(C)C[NH3+] ZINC000237043612 259680231 /nfs/dbraw/zinc/68/02/31/259680231.db2.gz QIIMCJVHCMKLTB-UHFFFAOYSA-N 1 0 226.364 2.176 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@]1(OC)CCOC1 ZINC000309696298 134479308 /nfs/dbraw/zinc/47/93/08/134479308.db2.gz LCGKNPYKTVGTJC-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)C[C@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414642089 386040724 /nfs/dbraw/zinc/04/07/24/386040724.db2.gz JFLOVVQSNLCSAX-UWVGGRQHSA-N 1 0 223.320 2.290 20 30 BEEDRO Cn1ncc2c1CCC[C@H]2[NH2+]CC(C)(C)CC#N ZINC000414161863 386046148 /nfs/dbraw/zinc/04/61/48/386046148.db2.gz GEXMAZZOAKVORE-GFCCVEGCSA-N 1 0 246.358 2.327 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414164674 386048359 /nfs/dbraw/zinc/04/83/59/386048359.db2.gz KNLVEMKJGBCLPB-SNVBAGLBSA-N 1 0 234.347 2.319 20 30 BEEDRO CC(C)N1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172490985 974836948 /nfs/dbraw/zinc/83/69/48/974836948.db2.gz BGOIAWQNEHHCQX-CYBMUJFWSA-N 1 0 223.364 2.095 20 30 BEEDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)CC#N ZINC000414166055 386050615 /nfs/dbraw/zinc/05/06/15/386050615.db2.gz NAXNLZUMSSIOLP-CYBMUJFWSA-N 1 0 248.374 2.437 20 30 BEEDRO COC[C@@H]([NH2+]CC(C)(C)CC#N)C(C)C ZINC000414167822 386051065 /nfs/dbraw/zinc/05/10/65/386051065.db2.gz PTWAUNYNZQYESR-LLVKDONJSA-N 1 0 212.337 2.187 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H](O)C(C)C ZINC000414298472 386105269 /nfs/dbraw/zinc/10/52/69/386105269.db2.gz QJMMTTMLSDYATI-YIYPIFLZSA-N 1 0 238.375 2.454 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)C(C)C ZINC000414298469 386105299 /nfs/dbraw/zinc/10/52/99/386105299.db2.gz QJMMTTMLSDYATI-MQYQWHSLSA-N 1 0 238.375 2.454 20 30 BEEDRO C=CC[N@H+]1CCN(C(C)=O)C2(CCCCC2)C1 ZINC000334455069 386105613 /nfs/dbraw/zinc/10/56/13/386105613.db2.gz FUTXZQGWDNBFKL-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO CN(CC(C)(C)C#N)[C@H]1CC[C@H](C#N)C1 ZINC000334460012 386110414 /nfs/dbraw/zinc/11/04/14/386110414.db2.gz UFTPFLLTGCSHPG-QWRGUYRKSA-N 1 0 205.305 2.160 20 30 BEEDRO C=CCOc1ccc(CNC[C@H]([NH3+])C2CC2)cc1 ZINC000414885918 386066835 /nfs/dbraw/zinc/06/68/35/386066835.db2.gz CCUYSIJJYUPJEN-HNNXBMFYSA-N 1 0 246.354 2.078 20 30 BEEDRO C=CCCC1(c2nc(C[C@@H](C)[NH2+]C)no2)CC1 ZINC000414651237 386069471 /nfs/dbraw/zinc/06/94/71/386069471.db2.gz VANJSURCAJNTEZ-SNVBAGLBSA-N 1 0 235.331 2.218 20 30 BEEDRO C=CC[N@@H+](C)CC[C@@H](C(=O)OC)c1ccccc1 ZINC000425431555 386070101 /nfs/dbraw/zinc/07/01/01/386070101.db2.gz IKJDBYIBXITYCP-CQSZACIVSA-N 1 0 247.338 2.451 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CS1 ZINC000414231536 386077299 /nfs/dbraw/zinc/07/72/99/386077299.db2.gz PHUBVGZWGPGIIN-DBIOUOCHSA-N 1 0 210.346 2.162 20 30 BEEDRO CC[C@H]([NH2+]CCN(C)C)c1ccc(C#N)cc1 ZINC000286849083 386077368 /nfs/dbraw/zinc/07/73/68/386077368.db2.gz AGMPLBYMJNEUIR-AWEZNQCLSA-N 1 0 231.343 2.161 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)[C@@H](C)O1 ZINC000414266245 386087669 /nfs/dbraw/zinc/08/76/69/386087669.db2.gz RTIIYYUFOFMZEF-SYLRKERUSA-N 1 0 222.332 2.082 20 30 BEEDRO CC#CC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000334460749 386123044 /nfs/dbraw/zinc/12/30/44/386123044.db2.gz VAEPTQXNJAIMPB-UHFFFAOYSA-N 1 0 232.302 2.366 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425476176 386149183 /nfs/dbraw/zinc/14/91/83/386149183.db2.gz KRRWNRPDONSTMT-CYBMUJFWSA-N 1 0 210.365 2.225 20 30 BEEDRO C=CCCC(=O)NCCCC[NH+](CC)CC ZINC000338812452 386150204 /nfs/dbraw/zinc/15/02/04/386150204.db2.gz AYRBYIVRRSDWDA-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414351728 386155078 /nfs/dbraw/zinc/15/50/78/386155078.db2.gz SBRFHDMWRRNOOA-NNYUYHANSA-N 1 0 216.284 2.417 20 30 BEEDRO C=C(C)CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415905623 386162364 /nfs/dbraw/zinc/16/23/64/386162364.db2.gz VGCMQECEPCCOSA-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CCCC2)cc1 ZINC000077253156 386163201 /nfs/dbraw/zinc/16/32/01/386163201.db2.gz GUHRVTHEKBLFIE-UHFFFAOYSA-N 1 0 215.296 2.294 20 30 BEEDRO C=CCOc1ccccc1CNCC[NH2+]CCC ZINC000414893804 386166105 /nfs/dbraw/zinc/16/61/05/386166105.db2.gz ZMXFPCKCPZZSQM-UHFFFAOYSA-N 1 0 248.370 2.341 20 30 BEEDRO C=C(CC)CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415957563 386168203 /nfs/dbraw/zinc/16/82/03/386168203.db2.gz MPVLVSCFPBHVGH-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCS(=O)(=O)CC ZINC000414338300 386130868 /nfs/dbraw/zinc/13/08/68/386130868.db2.gz KCAJSWNMOLPYSI-RYUDHWBXSA-N 1 0 247.404 2.002 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@H]1CC[NH2+]C1 ZINC000647872581 386138612 /nfs/dbraw/zinc/13/86/12/386138612.db2.gz BXVWQMZJIJBOIX-LBPRGKRZSA-N 1 0 236.384 2.346 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000393472700 386216621 /nfs/dbraw/zinc/21/66/21/386216621.db2.gz NTWSMZSZZNZDTQ-SRVKXCTJSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)[C@@H](C)O1 ZINC000347195169 386261398 /nfs/dbraw/zinc/26/13/98/386261398.db2.gz ZPPBUUHPJKBTHA-GRYCIOLGSA-N 1 0 224.348 2.424 20 30 BEEDRO CC[C@H](O)CCC[NH2+]CC(C)(C)CCC#N ZINC000164702538 386255586 /nfs/dbraw/zinc/25/55/86/386255586.db2.gz JIRSISLAVYJHNL-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]CC(C)(C)CCC#N ZINC000164702655 386258394 /nfs/dbraw/zinc/25/83/94/386258394.db2.gz JIRSISLAVYJHNL-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO Cc1cc(CN(C)[C@H](C)CCC#N)no1 ZINC000276345642 386303754 /nfs/dbraw/zinc/30/37/54/386303754.db2.gz VEIRGJRZTMTFOQ-SECBINFHSA-N 1 0 207.277 2.107 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1nccs1 ZINC000320315297 386305729 /nfs/dbraw/zinc/30/57/29/386305729.db2.gz VKXJGDLIXLYURE-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCc1ccncc1 ZINC000347271801 386313428 /nfs/dbraw/zinc/31/34/28/386313428.db2.gz VFXIRFSGOGNJHJ-GFCCVEGCSA-N 1 0 217.316 2.248 20 30 BEEDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347195329 386273452 /nfs/dbraw/zinc/27/34/52/386273452.db2.gz JQQJMUPPIRIJDP-AGIUHOORSA-N 1 0 238.375 2.408 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N2CCCC2)[C@H]1C ZINC000347346963 386341061 /nfs/dbraw/zinc/34/10/61/386341061.db2.gz QOMSWCLZKGDPRK-OLZOCXBDSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181310839 386347232 /nfs/dbraw/zinc/34/72/32/386347232.db2.gz GHVDWCJTIYVRSN-LLVKDONJSA-N 1 0 246.310 2.480 20 30 BEEDRO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276598866 386352626 /nfs/dbraw/zinc/35/26/26/386352626.db2.gz FUCULRJUNRUXLU-YPMHNXCESA-N 1 0 217.316 2.175 20 30 BEEDRO COC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000086696650 386357468 /nfs/dbraw/zinc/35/74/68/386357468.db2.gz ZDADXKPXYVKTTH-AWEZNQCLSA-N 1 0 232.327 2.319 20 30 BEEDRO C[C@@]1(F)CC[N@H+](CCCSCC#N)C1 ZINC000347361814 386366064 /nfs/dbraw/zinc/36/60/64/386366064.db2.gz WEFYZXQEBFRVKN-SNVBAGLBSA-N 1 0 216.325 2.067 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639240177 386387154 /nfs/dbraw/zinc/38/71/54/386387154.db2.gz RIWCDHKXAMJGAL-UHFFFAOYSA-N 1 0 242.269 2.299 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000320325652 386326433 /nfs/dbraw/zinc/32/64/33/386326433.db2.gz FMWSUCAGVGUNMG-NSHDSACASA-N 1 0 236.340 2.036 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@H](CC)CO ZINC000347331711 386329999 /nfs/dbraw/zinc/32/99/99/386329999.db2.gz BGEYQVFEUSQRQT-CQSZACIVSA-N 1 0 219.328 2.446 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000336775986 386391657 /nfs/dbraw/zinc/39/16/57/386391657.db2.gz DHVCMKWYKPWOLZ-SECBINFHSA-N 1 0 217.272 2.334 20 30 BEEDRO Cc1cc(N2CCC[C@H]2C[C@H](C)O)c(C#N)cn1 ZINC000398996097 386411096 /nfs/dbraw/zinc/41/10/96/386411096.db2.gz PIYPGUXRAGPFJL-AAEUAGOBSA-N 1 0 245.326 2.001 20 30 BEEDRO CN(Cc1cc(Cl)cn1C)CC1(C#N)CC1 ZINC000347461522 386415961 /nfs/dbraw/zinc/41/59/61/386415961.db2.gz MSBNDBJQIFINCA-UHFFFAOYSA-N 1 0 237.734 2.414 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc(C#N)c1 ZINC000315775169 259687690 /nfs/dbraw/zinc/68/76/90/259687690.db2.gz QNZCLAILEVUTMF-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO CCC(CC)[N@H+](CCOC)CC1(C#N)CC1 ZINC000347476190 386435014 /nfs/dbraw/zinc/43/50/14/386435014.db2.gz JBXRZSUQNBMMJW-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000228613084 386476773 /nfs/dbraw/zinc/47/67/73/386476773.db2.gz CTBWYURPIXEPJV-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@H](C)c2ccc(C#N)cc2)C1 ZINC000267713731 386489574 /nfs/dbraw/zinc/48/95/74/386489574.db2.gz XERKEMJCVOZRKN-RISCZKNCSA-N 1 0 230.311 2.340 20 30 BEEDRO C[C@@H]([NH2+]Cc1cncn1C)c1cccc(C#N)c1 ZINC000237364552 386490016 /nfs/dbraw/zinc/49/00/16/386490016.db2.gz TWDNNSHVNUIAIT-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO CC[C@](C)(C[NH2+]Cc1ccc(C#N)cc1)OC ZINC000322753741 386496611 /nfs/dbraw/zinc/49/66/11/386496611.db2.gz DUFMXWCEXUWBLC-CQSZACIVSA-N 1 0 232.327 2.463 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CCC)[C@H]1CC1(C)C ZINC000417327041 386498176 /nfs/dbraw/zinc/49/81/76/386498176.db2.gz DMIZLYBMXVHLFG-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@H](CC)OC)c1 ZINC000290639862 386462030 /nfs/dbraw/zinc/46/20/30/386462030.db2.gz MAGPTTQAENYKRC-ZDUSSCGKSA-N 1 0 249.358 2.401 20 30 BEEDRO CC1CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442725923 386576498 /nfs/dbraw/zinc/57/64/98/386576498.db2.gz QOIMCRZXBITQPY-ZIAGYGMSSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000336757299 386579905 /nfs/dbraw/zinc/57/99/05/386579905.db2.gz JZWYOTUCXUOJSI-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)CC(C)C ZINC000417365371 386586293 /nfs/dbraw/zinc/58/62/93/386586293.db2.gz MSEYKYOHBLPRMI-XQQFMLRXSA-N 1 0 224.348 2.329 20 30 BEEDRO N#C[C@@H]1CC[C@H](SCC2CC[NH2+]CC2)C1 ZINC000335457093 386535619 /nfs/dbraw/zinc/53/56/19/386535619.db2.gz WYPODCNOHLRCLD-NEPJUHHUSA-N 1 0 224.373 2.411 20 30 BEEDRO C=C(C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000122979484 386538084 /nfs/dbraw/zinc/53/80/84/386538084.db2.gz CLROILLGUGTTFE-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C=CCC[C@H](NC(=O)C[NH+](C)C)c1ccccc1 ZINC000123048432 386539083 /nfs/dbraw/zinc/53/90/83/386539083.db2.gz VXIKZQNOMGFDBT-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO CCCN(CC#N)Cc1cncn1C(C)C ZINC000425319301 386557590 /nfs/dbraw/zinc/55/75/90/386557590.db2.gz ATWQFIRKKFBMOE-UHFFFAOYSA-N 1 0 220.320 2.200 20 30 BEEDRO CN(CC[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442719516 386559243 /nfs/dbraw/zinc/55/92/43/386559243.db2.gz QDXKJHZSOANIKL-ZIAGYGMSSA-N 1 0 243.354 2.405 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000187639357 386565408 /nfs/dbraw/zinc/56/54/08/386565408.db2.gz DIUYRBIFEPCLGG-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2ccno2)CC1 ZINC000335408665 386568522 /nfs/dbraw/zinc/56/85/22/386568522.db2.gz VXTLAVDZUBELMW-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328767708 386619925 /nfs/dbraw/zinc/61/99/25/386619925.db2.gz PXRFYCCLXPIKEK-GRYCIOLGSA-N 1 0 247.342 2.310 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccsc1Cl ZINC000336646073 386624027 /nfs/dbraw/zinc/62/40/27/386624027.db2.gz CMLVWNODURQPTO-SECBINFHSA-N 1 0 231.748 2.428 20 30 BEEDRO C=CCOc1ccccc1CNCC(C)(C)[NH3+] ZINC000414810093 386624741 /nfs/dbraw/zinc/62/47/41/386624741.db2.gz WRYVKIZXOARUTG-UHFFFAOYSA-N 1 0 234.343 2.078 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 ZINC000328868169 386637440 /nfs/dbraw/zinc/63/74/40/386637440.db2.gz XIBWJNSYCOQODC-QNWJLWSRSA-N 1 0 247.342 2.314 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000520967604 386639179 /nfs/dbraw/zinc/63/91/79/386639179.db2.gz PEGCTJUWCVGQNM-ZDUSSCGKSA-N 1 0 225.332 2.228 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000185714949 386641535 /nfs/dbraw/zinc/64/15/35/386641535.db2.gz BOWXXMKYZUFBSQ-AAVRWANBSA-N 1 0 236.359 2.209 20 30 BEEDRO CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358551366 386603860 /nfs/dbraw/zinc/60/38/60/386603860.db2.gz AWJBJXDLMCQCBE-JTQLQIEISA-N 1 0 236.290 2.384 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000520245558 386616258 /nfs/dbraw/zinc/61/62/58/386616258.db2.gz VLMPWVFRPZVOFX-RYUDHWBXSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000520245556 386617920 /nfs/dbraw/zinc/61/79/20/386617920.db2.gz VLMPWVFRPZVOFX-NEPJUHHUSA-N 1 0 226.364 2.078 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000124703802 386659176 /nfs/dbraw/zinc/65/91/76/386659176.db2.gz WFNJSWDDLBJJQF-UHFFFAOYSA-N 1 0 231.339 2.283 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCC[C@]2(CCOC2)O1 ZINC001645310332 1172652488 /nfs/dbraw/zinc/65/24/88/1172652488.db2.gz ZRTDGPZDELQGER-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)n1C ZINC000425330572 386663162 /nfs/dbraw/zinc/66/31/62/386663162.db2.gz AYMFXCWZTBKCNI-LBPRGKRZSA-N 1 0 248.374 2.027 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000336759479 386663743 /nfs/dbraw/zinc/66/37/43/386663743.db2.gz JBRAKIWFZDREBC-IJLUTSLNSA-N 1 0 225.332 2.130 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012111 386670520 /nfs/dbraw/zinc/67/05/20/386670520.db2.gz RNJDBPRSMJYGPB-GDBMZVCRSA-N 1 0 245.366 2.324 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000190344946 386682112 /nfs/dbraw/zinc/68/21/12/386682112.db2.gz QUIUZOGEFSPADT-JHJVBQTASA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000050198047 386684360 /nfs/dbraw/zinc/68/43/60/386684360.db2.gz LEOHCAXPWIOHLS-GXTWGEPZSA-N 1 0 246.354 2.418 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185795540 386685599 /nfs/dbraw/zinc/68/55/99/386685599.db2.gz IFGPWUXZVWIZNU-XQQFMLRXSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(COC)CCOCC1 ZINC000425936137 386685962 /nfs/dbraw/zinc/68/59/62/386685962.db2.gz LHJDHNUZKUCTHX-CYBMUJFWSA-N 1 0 241.375 2.374 20 30 BEEDRO C[NH+]1CCC(CCNc2ccc(C#N)cn2)CC1 ZINC000133907240 386735642 /nfs/dbraw/zinc/73/56/42/386735642.db2.gz FNAJTPXZEJXLAE-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cncn1CC ZINC000417786836 386717748 /nfs/dbraw/zinc/71/77/48/386717748.db2.gz GQRPKSXUVNBMEM-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO CC(C)C[C@H](CNc1ccc(C#N)nc1)[NH+](C)C ZINC000267368058 386754731 /nfs/dbraw/zinc/75/47/31/386754731.db2.gz JHWDNAVJUPCJDM-CQSZACIVSA-N 1 0 246.358 2.341 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000192891783 386760130 /nfs/dbraw/zinc/76/01/30/386760130.db2.gz WLWKYJPJGAOKLY-DGAVXFQQSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1ncoc1C ZINC000330449811 386742313 /nfs/dbraw/zinc/74/23/13/386742313.db2.gz ZQXZPBQAXIFAJJ-SECBINFHSA-N 1 0 239.319 2.018 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000450858336 386775763 /nfs/dbraw/zinc/77/57/63/386775763.db2.gz KTQDRKSIUPODSH-YNEHKIRRSA-N 1 0 246.354 2.227 20 30 BEEDRO COc1ccc(C[N@H+](C)C(C)C)cc1C#N ZINC000087833102 386782040 /nfs/dbraw/zinc/78/20/40/386782040.db2.gz OAFFKKJNGAWDLK-UHFFFAOYSA-N 1 0 218.300 2.407 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000417979513 386785528 /nfs/dbraw/zinc/78/55/28/386785528.db2.gz JCPCMNMIVAPKJT-RYUDHWBXSA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000395345867 386819489 /nfs/dbraw/zinc/81/94/89/386819489.db2.gz IWTGIVYNCNGZCF-UHFFFAOYSA-N 1 0 246.310 2.073 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCOC1 ZINC000047701578 386812657 /nfs/dbraw/zinc/81/26/57/386812657.db2.gz JDZNGQNREBTNCU-AWEZNQCLSA-N 1 0 230.311 2.027 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCOC1 ZINC000047701580 386814019 /nfs/dbraw/zinc/81/40/19/386814019.db2.gz JDZNGQNREBTNCU-CQSZACIVSA-N 1 0 230.311 2.027 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000330679875 386828191 /nfs/dbraw/zinc/82/81/91/386828191.db2.gz YDWKGHULQSOZBB-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CC[NH+](CC#C)Cc1cccc2[nH]ccc21 ZINC000093475619 386833727 /nfs/dbraw/zinc/83/37/27/386833727.db2.gz OOSSDYMTCJYLRW-UHFFFAOYSA-N 1 0 222.291 2.236 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cnccn1 ZINC000280722778 386840610 /nfs/dbraw/zinc/84/06/10/386840610.db2.gz VBCPBCIOFIQPML-BZPMIXESSA-N 1 0 247.342 2.108 20 30 BEEDRO C=CCCCN(C)c1nc(N)[nH+]c2c1CCCC2 ZINC000645175460 386842799 /nfs/dbraw/zinc/84/27/99/386842799.db2.gz YKWPFZCRIZSDFD-UHFFFAOYSA-N 1 0 246.358 2.170 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395492717 386845381 /nfs/dbraw/zinc/84/53/81/386845381.db2.gz ZFJJKSGGIJWZQT-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC2(CCC2)C1 ZINC000425350494 386866758 /nfs/dbraw/zinc/86/67/58/386866758.db2.gz HWGYWJUEYBOZCD-AAEUAGOBSA-N 1 0 221.344 2.500 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162572 386875274 /nfs/dbraw/zinc/87/52/74/386875274.db2.gz KEGLQPRZUFEBTD-CABZTGNLSA-N 1 0 238.356 2.116 20 30 BEEDRO CCN1CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000334912983 386985785 /nfs/dbraw/zinc/98/57/85/386985785.db2.gz NXKHLOQADXUZML-OCCSQVGLSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H]([N@H+](C)Cc1ccc(CC#N)cc1)C(C)(C)O ZINC000398996262 387037768 /nfs/dbraw/zinc/03/77/68/387037768.db2.gz POBPNJDYDCNKIQ-GFCCVEGCSA-N 1 0 246.354 2.344 20 30 BEEDRO C=CCCCCNC(=O)NCC([NH3+])(CC)CC ZINC000418028429 387039030 /nfs/dbraw/zinc/03/90/30/387039030.db2.gz HPTSDZQNILFQGM-UHFFFAOYSA-N 1 0 241.379 2.159 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000348284809 387041851 /nfs/dbraw/zinc/04/18/51/387041851.db2.gz WUVRGXYMPBPYAB-IUODEOHRSA-N 1 0 246.354 2.473 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2CCO)cc1 ZINC000399021668 387041780 /nfs/dbraw/zinc/04/17/80/387041780.db2.gz FITOMLDVJDPEKH-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000192640094 387042043 /nfs/dbraw/zinc/04/20/43/387042043.db2.gz ZBYPHLAFGXPMJQ-DGCLKSJQSA-N 1 0 245.326 2.262 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cn1 ZINC000192640083 387042436 /nfs/dbraw/zinc/04/24/36/387042436.db2.gz ZBYPHLAFGXPMJQ-AAEUAGOBSA-N 1 0 245.326 2.262 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000334968307 387050552 /nfs/dbraw/zinc/05/05/52/387050552.db2.gz SLDICAUORMLOOK-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000192618716 387012656 /nfs/dbraw/zinc/01/26/56/387012656.db2.gz PLACCVQTPIZQFZ-KBPBESRZSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CC[C@H](CC)NC(=O)CCCC[NH+](C)C ZINC000519184508 387028828 /nfs/dbraw/zinc/02/88/28/387028828.db2.gz HGBYFHDOYVRGGU-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000168597700 387085294 /nfs/dbraw/zinc/08/52/94/387085294.db2.gz NNLSHFIVJFBPFT-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976673 387086171 /nfs/dbraw/zinc/08/61/71/387086171.db2.gz WUBJWIGNDXVKML-CQSZACIVSA-N 1 0 245.322 2.006 20 30 BEEDRO C[C@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000425971993 387100295 /nfs/dbraw/zinc/10/02/95/387100295.db2.gz URMQIKKZZYEIEW-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(C)OCC[NH+]1CCC(C#N)CC1 ZINC000057872202 387145028 /nfs/dbraw/zinc/14/50/28/387145028.db2.gz JACPSMAKKROCEB-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@H](N[C@H](C)C[NH3+])c1ccco1 ZINC000423319830 387162448 /nfs/dbraw/zinc/16/24/48/387162448.db2.gz FPYUEGDDCTYRAN-MNOVXSKESA-N 1 0 208.305 2.224 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000418143772 387166616 /nfs/dbraw/zinc/16/66/16/387166616.db2.gz QYXHELPTDYPXDT-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000321419753 387173594 /nfs/dbraw/zinc/17/35/94/387173594.db2.gz KIKIIAQTPPAHCX-AAEUAGOBSA-N 1 0 235.327 2.370 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+]CC2(C#N)CCC2)CCO1 ZINC000418137167 387174759 /nfs/dbraw/zinc/17/47/59/387174759.db2.gz DHXRKKQPQYOBRW-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418137679 387175013 /nfs/dbraw/zinc/17/50/13/387175013.db2.gz FDKDBNIRQYPHKX-LLVKDONJSA-N 1 0 210.321 2.083 20 30 BEEDRO CC#CCC[N@H+](C)CC1(O)CCCCCC1 ZINC000187355981 387182656 /nfs/dbraw/zinc/18/26/56/387182656.db2.gz KXEMADSUPLGHIG-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN(CCCCC#N)C1 ZINC000062979911 387189132 /nfs/dbraw/zinc/18/91/32/387189132.db2.gz NSSVXDPYEHCIOO-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C=C[C@H](CC(=O)NCC[NH2+]CC)c1ccccc1 ZINC000571686056 387137938 /nfs/dbraw/zinc/13/79/38/387137938.db2.gz XPBAIWIJKQRFJY-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187828241 387214770 /nfs/dbraw/zinc/21/47/70/387214770.db2.gz RCMDGFLEFWIZFJ-ZAZJYDDPSA-N 1 0 231.405 2.286 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000572034581 387223423 /nfs/dbraw/zinc/22/34/23/387223423.db2.gz XYLQLDRAUPQZQA-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[N@H+](CCO)[C@@H]1CCCSC1 ZINC000433190919 387224577 /nfs/dbraw/zinc/22/45/77/387224577.db2.gz XTXLRXDLRDAAQU-GFCCVEGCSA-N 1 0 229.389 2.143 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000292933270 387311578 /nfs/dbraw/zinc/31/15/78/387311578.db2.gz HBWVIVNCAMPSKY-CQSZACIVSA-N 1 0 248.301 2.212 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCC(=O)OC(C)(C)C ZINC000572175497 387256977 /nfs/dbraw/zinc/25/69/77/387256977.db2.gz LXPJMRPTCWCTKB-NSHDSACASA-N 1 0 240.347 2.390 20 30 BEEDRO C=CCCOCCN[C@@H](C)c1cc(C)on1 ZINC000285425560 387264424 /nfs/dbraw/zinc/26/44/24/387264424.db2.gz YIJOMUZWHOPWPP-NSHDSACASA-N 1 0 224.304 2.226 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1nc(C)ccc1C#N ZINC000160555062 387265040 /nfs/dbraw/zinc/26/50/40/387265040.db2.gz RCZSNICLOPLODM-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1c(F)cncc1F ZINC000285520250 387271520 /nfs/dbraw/zinc/27/15/20/387271520.db2.gz DVNJXENELABOOF-MRVPVSSYSA-N 1 0 210.227 2.034 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000514856368 387296651 /nfs/dbraw/zinc/29/66/51/387296651.db2.gz FCJYNUYNZCEFBD-DYEKYZERSA-N 1 0 249.358 2.223 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCCN1 ZINC000643502000 387356330 /nfs/dbraw/zinc/35/63/30/387356330.db2.gz VQCRLGDNVSNLJI-OLZOCXBDSA-N 1 0 210.365 2.463 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1ccnn1C ZINC000192249826 387357927 /nfs/dbraw/zinc/35/79/27/387357927.db2.gz BDWDTHNXMLMKKU-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)O ZINC000293011594 387377168 /nfs/dbraw/zinc/37/71/68/387377168.db2.gz OBIFNMXPGRQFCM-ZDUSSCGKSA-N 1 0 232.327 2.197 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)N[C@H]1C[NH2+]CCC1(F)F ZINC000423479126 387327094 /nfs/dbraw/zinc/32/70/94/387327094.db2.gz NYIKLWDJFFAXQM-AXFHLTTASA-N 1 0 232.318 2.174 20 30 BEEDRO C=CCC[C@@H](CC)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423480169 387327174 /nfs/dbraw/zinc/32/71/74/387327174.db2.gz PCEBQCLGDDUAGR-GHMZBOCLSA-N 1 0 232.318 2.318 20 30 BEEDRO C=CCC[C@H](CC)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423480175 387327325 /nfs/dbraw/zinc/32/73/25/387327325.db2.gz PCEBQCLGDDUAGR-WDEREUQCSA-N 1 0 232.318 2.318 20 30 BEEDRO C=CC[C@H](C)[C@H](C)N[C@H]1C[NH2+]CCC1(F)F ZINC000423479127 387327960 /nfs/dbraw/zinc/32/79/60/387327960.db2.gz NYIKLWDJFFAXQM-DCAQKATOSA-N 1 0 232.318 2.174 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1snc(Cl)c1C#N ZINC000286592526 387331847 /nfs/dbraw/zinc/33/18/47/387331847.db2.gz ZCUQDJTUNSTFPY-LURJTMIESA-N 1 0 244.751 2.030 20 30 BEEDRO C#CCC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000270467450 387429258 /nfs/dbraw/zinc/42/92/58/387429258.db2.gz BBKLFNKUTNPUGO-UHFFFAOYSA-N 1 0 228.339 2.222 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352672630 387432875 /nfs/dbraw/zinc/43/28/75/387432875.db2.gz VJOYUAFAHNIAEF-NXEZZACHSA-N 1 0 237.265 2.055 20 30 BEEDRO C=CC[C@@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000162609578 387448390 /nfs/dbraw/zinc/44/83/90/387448390.db2.gz FDCKRYDCOCABAC-LLVKDONJSA-N 1 0 242.363 2.455 20 30 BEEDRO C[C@@H]1SCC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000191377525 387387358 /nfs/dbraw/zinc/38/73/58/387387358.db2.gz ISAHJASRPOOUCC-QWRGUYRKSA-N 1 0 249.383 2.223 20 30 BEEDRO C=C1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000264482097 387391701 /nfs/dbraw/zinc/39/17/01/387391701.db2.gz QKNMFXIVOYTCRI-UHFFFAOYSA-N 1 0 206.289 2.443 20 30 BEEDRO C=CCN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423643137 387392270 /nfs/dbraw/zinc/39/22/70/387392270.db2.gz XJQSVRBIUABTBM-CYBMUJFWSA-N 1 0 246.354 2.357 20 30 BEEDRO CC#CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000266037232 387402253 /nfs/dbraw/zinc/40/22/53/387402253.db2.gz UBWJFSKNVNTYOM-INIZCTEOSA-N 1 0 243.350 2.382 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(-n2cccn2)cc1 ZINC000266928989 387404710 /nfs/dbraw/zinc/40/47/10/387404710.db2.gz NXELHUURWYHLCV-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)Nc1ccccc1C ZINC000266626984 387404843 /nfs/dbraw/zinc/40/48/43/387404843.db2.gz USDMOZXXIXAHSR-UHFFFAOYSA-N 1 0 244.338 2.279 20 30 BEEDRO C#CC[N@H+](CC)CCCCCn1cc(C)cn1 ZINC000267333258 387411057 /nfs/dbraw/zinc/41/10/57/387411057.db2.gz QYPXUILCPHTDOY-UHFFFAOYSA-N 1 0 233.359 2.317 20 30 BEEDRO COC1(C[N@H+](C)C[C@H](C)C#N)CCCC1 ZINC000361563337 387494333 /nfs/dbraw/zinc/49/43/33/387494333.db2.gz GCUTUFJOJGZBHT-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000516278513 387495223 /nfs/dbraw/zinc/49/52/23/387495223.db2.gz WCGGADWGBAKUPK-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCC[C@H]1O ZINC000270132269 387497480 /nfs/dbraw/zinc/49/74/80/387497480.db2.gz OSOGVGVIUIGYFC-LSDHHAIUSA-N 1 0 244.338 2.151 20 30 BEEDRO C=C(C)CNC(=O)c1sccc1C[NH+](C)C ZINC000275145532 387499789 /nfs/dbraw/zinc/49/97/89/387499789.db2.gz UCOQYSHDHRBZRP-UHFFFAOYSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCSCC[NH2+][C@H]1COC(C)(C)C1 ZINC000396881146 387508239 /nfs/dbraw/zinc/50/82/39/387508239.db2.gz DQDDWUNGVHPSML-SNVBAGLBSA-N 1 0 215.362 2.063 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccccc1C#N ZINC000352893006 387517240 /nfs/dbraw/zinc/51/72/40/387517240.db2.gz NEZNFQUJNFZEDN-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCCOCCNc1cc[nH+]cc1C ZINC000192724671 387523571 /nfs/dbraw/zinc/52/35/71/387523571.db2.gz GEDIMNKSPBXXNX-UHFFFAOYSA-N 1 0 206.289 2.395 20 30 BEEDRO C#CCN(C)Cc1ccn(C2CCCC2)n1 ZINC000276903057 387525959 /nfs/dbraw/zinc/52/59/59/387525959.db2.gz DQGNBGCBTWJJDM-UHFFFAOYSA-N 1 0 217.316 2.063 20 30 BEEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccc1F ZINC000424079120 387480079 /nfs/dbraw/zinc/48/00/79/387480079.db2.gz FJVQPRGWTPNQKP-GFCCVEGCSA-N 1 0 249.289 2.094 20 30 BEEDRO CCc1ccccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424079696 387480214 /nfs/dbraw/zinc/48/02/14/387480214.db2.gz ROWAAOAPTYGMSP-GFCCVEGCSA-N 1 0 245.326 2.209 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000336787350 387581986 /nfs/dbraw/zinc/58/19/86/387581986.db2.gz LLWFUZKAELSCJS-NSHDSACASA-N 1 0 249.310 2.269 20 30 BEEDRO CC[C@H](O)C[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000293752815 387589094 /nfs/dbraw/zinc/58/90/94/387589094.db2.gz RMSABYOZSCYROJ-KBPBESRZSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430415650 387616929 /nfs/dbraw/zinc/61/69/29/387616929.db2.gz PRFVNBWTQOEJHG-AVGNSLFASA-N 1 0 238.375 2.365 20 30 BEEDRO C[C@@]1(F)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000347393797 387548020 /nfs/dbraw/zinc/54/80/20/387548020.db2.gz REGKYAAVWMVYRE-CQSZACIVSA-N 1 0 248.301 2.371 20 30 BEEDRO CC[N@H+](CCNc1nccc(C)c1C#N)C1CC1 ZINC000230077953 387631996 /nfs/dbraw/zinc/63/19/96/387631996.db2.gz PREKNBWICDRCAU-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1ccn(C)n1 ZINC000430747165 387646789 /nfs/dbraw/zinc/64/67/89/387646789.db2.gz WBPKOQNKPKZBIJ-NSHDSACASA-N 1 0 232.331 2.155 20 30 BEEDRO COC[C@H]([NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000430739606 387646917 /nfs/dbraw/zinc/64/69/17/387646917.db2.gz OFQVGJZIOHYUHT-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000527734774 387682125 /nfs/dbraw/zinc/68/21/25/387682125.db2.gz JMEIYBBSZVFRRF-RYUDHWBXSA-N 1 0 210.365 2.128 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@](CO)(COC)C1 ZINC000451939342 387683295 /nfs/dbraw/zinc/68/32/95/387683295.db2.gz WGUDSFBMMPSBPE-CQSZACIVSA-N 1 0 241.375 2.064 20 30 BEEDRO C=CCC[NH+]1CCC(OCCOC(C)C)CC1 ZINC000451954867 387686207 /nfs/dbraw/zinc/68/62/07/387686207.db2.gz YNPUKKZNSSDYCB-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000452110419 387742996 /nfs/dbraw/zinc/74/29/96/387742996.db2.gz YXVFDBHGNONFLU-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCCSCC#N ZINC000452018933 387702340 /nfs/dbraw/zinc/70/23/40/387702340.db2.gz RLCWHOKQODDUMS-VXGBXAGGSA-N 1 0 242.388 2.180 20 30 BEEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000452031878 387705214 /nfs/dbraw/zinc/70/52/14/387705214.db2.gz BMUBCFBTHOJGPG-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C[N@@H+](CC#Cc1ccccc1Cl)CCCO ZINC000440964391 387720648 /nfs/dbraw/zinc/72/06/48/387720648.db2.gz REUCCNNTERXSSX-UHFFFAOYSA-N 1 0 237.730 2.006 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000418116035 387724587 /nfs/dbraw/zinc/72/45/87/387724587.db2.gz PRFZSKJDUIGGHU-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C(C)C)C1CC(C)(C)C1 ZINC000452109319 387737434 /nfs/dbraw/zinc/73/74/34/387737434.db2.gz XRUFTJANLGWTJM-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353268678 387771014 /nfs/dbraw/zinc/77/10/14/387771014.db2.gz RRFRZFXHEUKXDF-UKRRQHHQSA-N 1 0 244.338 2.296 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353268679 387771067 /nfs/dbraw/zinc/77/10/67/387771067.db2.gz RRFRZFXHEUKXDF-ZFWWWQNUSA-N 1 0 244.338 2.296 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000294124888 387773468 /nfs/dbraw/zinc/77/34/68/387773468.db2.gz FATOELBPMCAUQI-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441647336 387774174 /nfs/dbraw/zinc/77/41/74/387774174.db2.gz NABOSAJBZJHEQZ-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC000611080258 387776058 /nfs/dbraw/zinc/77/60/58/387776058.db2.gz SEXXFDPSCVFBNR-OLZOCXBDSA-N 1 0 241.400 2.242 20 30 BEEDRO CCOCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353409566 387790533 /nfs/dbraw/zinc/79/05/33/387790533.db2.gz FPHQLEFNVLHJDX-CQSZACIVSA-N 1 0 230.311 2.172 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cnccc1N ZINC000422981704 387793161 /nfs/dbraw/zinc/79/31/61/387793161.db2.gz PAGBFNKMGBARSF-VHSXEESVSA-N 1 0 205.305 2.109 20 30 BEEDRO COCCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000527935958 387795852 /nfs/dbraw/zinc/79/58/52/387795852.db2.gz NIJCROOHXAJQPZ-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000052396194 387803803 /nfs/dbraw/zinc/80/38/03/387803803.db2.gz ZVRVRBKWGXAQTP-SMDDNHRTSA-N 1 0 214.312 2.293 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1cnccc1N ZINC000422949773 387806978 /nfs/dbraw/zinc/80/69/78/387806978.db2.gz WIOZYBZBJALBBT-SNVBAGLBSA-N 1 0 237.372 2.064 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000442633499 387807779 /nfs/dbraw/zinc/80/77/79/387807779.db2.gz JUEUUFQFIYDRCC-QWHCGFSZSA-N 1 0 230.311 2.347 20 30 BEEDRO CC(C)[NH+](CCN[C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000442634361 387809980 /nfs/dbraw/zinc/80/99/80/387809980.db2.gz MNHDVFWMLNPHLO-KGLIPLIRSA-N 1 0 237.391 2.387 20 30 BEEDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000528006012 387820676 /nfs/dbraw/zinc/82/06/76/387820676.db2.gz MEHRJQLDLSLPFS-RVMXOQNASA-N 1 0 222.332 2.224 20 30 BEEDRO C[C@H](CCCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000294748107 387825147 /nfs/dbraw/zinc/82/51/47/387825147.db2.gz HWBSOAITRUPYCS-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353663953 387827890 /nfs/dbraw/zinc/82/78/90/387827890.db2.gz NRYSYNRZCCZUKF-NHYWBVRUSA-N 1 0 243.354 2.085 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000442719209 387829397 /nfs/dbraw/zinc/82/93/97/387829397.db2.gz REKWEEDIVWUUGN-WCQYABFASA-N 1 0 248.301 2.486 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000448691248 387873183 /nfs/dbraw/zinc/87/31/83/387873183.db2.gz PNASDABCXALQGH-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cn1cc(C[NH+]2CCC(CF)CC2)cc1C#N ZINC000295105949 387835946 /nfs/dbraw/zinc/83/59/46/387835946.db2.gz UGJDJOHHNZGDTL-UHFFFAOYSA-N 1 0 235.306 2.078 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442773391 387837127 /nfs/dbraw/zinc/83/71/27/387837127.db2.gz CMYINOYPEUNKIB-ZFWWWQNUSA-N 1 0 247.386 2.309 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)C1 ZINC000442777491 387837438 /nfs/dbraw/zinc/83/74/38/387837438.db2.gz IWNZTJNRESRDJO-HTOAHKCRSA-N 1 0 234.343 2.226 20 30 BEEDRO Cn1cc(C[NH2+]CC2=CCCCC2)cc1C#N ZINC000295070868 387837639 /nfs/dbraw/zinc/83/76/39/387837639.db2.gz HIBJMPOYCGOCCM-UHFFFAOYSA-N 1 0 229.327 2.487 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](CO)c2ccccc2)C1 ZINC000442781310 387839374 /nfs/dbraw/zinc/83/93/74/387839374.db2.gz PASFDGZRVKVLJI-BPLDGKMQSA-N 1 0 244.338 2.044 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000442832376 387848045 /nfs/dbraw/zinc/84/80/45/387848045.db2.gz DCEZMAVQTNAAKV-SAXRGWBVSA-N 1 0 234.343 2.226 20 30 BEEDRO Cc1cnccc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442841183 387849813 /nfs/dbraw/zinc/84/98/13/387849813.db2.gz FXTNWRDQVPNEKW-TZMCWYRMSA-N 1 0 229.327 2.214 20 30 BEEDRO Cc1cnccc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442841180 387849867 /nfs/dbraw/zinc/84/98/67/387849867.db2.gz FXTNWRDQVPNEKW-JSGCOSHPSA-N 1 0 229.327 2.214 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000424168788 387859850 /nfs/dbraw/zinc/85/98/50/387859850.db2.gz GSNUICPXJZUQPC-RVMXOQNASA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000424170702 387861665 /nfs/dbraw/zinc/86/16/65/387861665.db2.gz KARPVKCYGXFFNV-ITGUQSILSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000424172938 387868083 /nfs/dbraw/zinc/86/80/83/387868083.db2.gz MJAYPCSUFSVHIT-JSGCOSHPSA-N 1 0 233.311 2.073 20 30 BEEDRO N#CC1(F)CC[NH+](CCC2CCOCC2)CC1 ZINC000433190806 387871118 /nfs/dbraw/zinc/87/11/18/387871118.db2.gz RXZNTVZEGMAVKY-UHFFFAOYSA-N 1 0 240.322 2.131 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194022775 387871260 /nfs/dbraw/zinc/87/12/60/387871260.db2.gz JMBMMPSEKQHMJI-JHJVBQTASA-N 1 0 234.343 2.227 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194102553 387816005 /nfs/dbraw/zinc/81/60/05/387816005.db2.gz KSONQBUXLRIFCJ-FVCCEPFGSA-N 1 0 221.344 2.498 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000452717820 387895820 /nfs/dbraw/zinc/89/58/20/387895820.db2.gz NJHMLUUPXVXGNM-GFCCVEGCSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000452719897 387898256 /nfs/dbraw/zinc/89/82/56/387898256.db2.gz UTYTVJSXRPGSLX-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528346152 387903041 /nfs/dbraw/zinc/90/30/41/387903041.db2.gz USWGFGPTXOVVOH-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@]1(O)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177371483 387916430 /nfs/dbraw/zinc/91/64/30/387916430.db2.gz ZUWPXEWPPQZLQG-AWEZNQCLSA-N 1 0 249.741 2.148 20 30 BEEDRO C=CC[C@H]1[N@H+](C[C@H](O)COC)CCCC1(C)C ZINC000444780240 387930375 /nfs/dbraw/zinc/93/03/75/387930375.db2.gz ZYLNQVROYMLKDF-QWHCGFSZSA-N 1 0 241.375 2.060 20 30 BEEDRO C=C(CC)C[NH2+][C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000444799357 387932142 /nfs/dbraw/zinc/93/21/42/387932142.db2.gz HVVXZDVPVKGCNN-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@H]1OCC[N@H+](CCCC(C)(C)C#N)[C@H]1C ZINC000156207431 387936918 /nfs/dbraw/zinc/93/69/18/387936918.db2.gz ZEUKCUBETNRQEO-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO COc1cc(C)nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000424196610 387922202 /nfs/dbraw/zinc/92/22/02/387922202.db2.gz NHFJNEWUOPYBCU-NWDGAFQWSA-N 1 0 245.326 2.181 20 30 BEEDRO CCC[C@]1(CO)CCC[N@@H+]1CCCCC#N ZINC000444771593 387927403 /nfs/dbraw/zinc/92/74/03/387927403.db2.gz JRZKTBLFZQPZIC-CYBMUJFWSA-N 1 0 224.348 2.307 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cn(CC=C)nn1 ZINC000424292834 387955122 /nfs/dbraw/zinc/95/51/22/387955122.db2.gz HPGAZWBEUXUTEA-LBPRGKRZSA-N 1 0 234.347 2.299 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000321181374 387956172 /nfs/dbraw/zinc/95/61/72/387956172.db2.gz ZOERMLOHLDOXSD-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000321064562 387941163 /nfs/dbraw/zinc/94/11/63/387941163.db2.gz YSUFKAKRLSOGTI-JSGCOSHPSA-N 1 0 249.354 2.240 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000249093963 387945387 /nfs/dbraw/zinc/94/53/87/387945387.db2.gz FAXKFGQFNLUCIT-VXGBXAGGSA-N 1 0 232.327 2.322 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cnccc1N ZINC000423163409 387946019 /nfs/dbraw/zinc/94/60/19/387946019.db2.gz RBOOKRCBWPZRGZ-SNVBAGLBSA-N 1 0 205.305 2.111 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2C(C)C)nn1 ZINC000424297697 387958018 /nfs/dbraw/zinc/95/80/18/387958018.db2.gz RDGHHMBDWAIPLS-UONOGXRCSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C)C2CCCC2)nn1 ZINC000424297027 387958339 /nfs/dbraw/zinc/95/83/39/387958339.db2.gz PPEZJYGQKJHIHN-NSHDSACASA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccoc1C ZINC000321194223 387958634 /nfs/dbraw/zinc/95/86/34/387958634.db2.gz GLDMZQLNQOUEME-GFCCVEGCSA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](CC)[C@@H]2CC2(C)C)nn1 ZINC000424300460 387959938 /nfs/dbraw/zinc/95/99/38/387959938.db2.gz XROIJRFITISIGL-STQMWFEESA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nccn1CC ZINC000424300917 387960398 /nfs/dbraw/zinc/96/03/98/387960398.db2.gz YSFMYPLWPAFXRL-AGIUHOORSA-N 1 0 249.358 2.145 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](CC)C2CCC2)nn1 ZINC000424300615 387960497 /nfs/dbraw/zinc/96/04/97/387960497.db2.gz YBNBVVGNOQDVRL-CYBMUJFWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cn(CC=C)nn1 ZINC000424300165 387961023 /nfs/dbraw/zinc/96/10/23/387961023.db2.gz WZKBXRYQWFEBLC-VXGBXAGGSA-N 1 0 234.347 2.154 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)nn1 ZINC000424301076 387961548 /nfs/dbraw/zinc/96/15/48/387961548.db2.gz ZJINKGUHLDKMAF-ZIAGYGMSSA-N 1 0 246.358 2.132 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCOC1 ZINC000424323444 387971337 /nfs/dbraw/zinc/97/13/37/387971337.db2.gz JBZHXZKZXKQNNM-WUHRBBMRSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCn1cc(C[NH2+]C2[C@H](C)CCC[C@H]2C)nn1 ZINC000424296321 387957359 /nfs/dbraw/zinc/95/73/59/387957359.db2.gz ODHPFMNXWXLBKJ-VXGBXAGGSA-N 1 0 248.374 2.378 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@]1(C)CCCO1 ZINC000424336781 387980312 /nfs/dbraw/zinc/98/03/12/387980312.db2.gz YPYBYLIXFDKFOR-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nccn1C ZINC000424331186 387976373 /nfs/dbraw/zinc/97/63/73/387976373.db2.gz RTZXZWGAYMXHQE-QJPTWQEYSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CCCC[N@@H+]1CCc2ncsc2C1 ZINC000445873809 387976611 /nfs/dbraw/zinc/97/66/11/387976611.db2.gz GYLMITGWZUSEJO-UHFFFAOYSA-N 1 0 208.330 2.467 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CC1CC=CC1 ZINC001645452949 1172668881 /nfs/dbraw/zinc/66/88/81/1172668881.db2.gz ASDNQNHGUGQTFM-UHFFFAOYSA-N 1 0 222.376 2.392 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453158314 388000364 /nfs/dbraw/zinc/00/03/64/388000364.db2.gz AJBPCPQGUYWJMW-RISCZKNCSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)c1ccncc1 ZINC000453160838 388000432 /nfs/dbraw/zinc/00/04/32/388000432.db2.gz IBSPJTWDGXBHIL-TZMCWYRMSA-N 1 0 234.343 2.307 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000246074081 388006613 /nfs/dbraw/zinc/00/66/13/388006613.db2.gz ZTHPDKCJXLIUBW-UPJWGTAASA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453191935 388007107 /nfs/dbraw/zinc/00/71/07/388007107.db2.gz GCMFVGAJFPKEMS-ZFWWWQNUSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](CC)c1ccncc1 ZINC000453197487 388008622 /nfs/dbraw/zinc/00/86/22/388008622.db2.gz NHIDYXGJSYOYJA-QWHCGFSZSA-N 1 0 220.316 2.059 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C12CCC2 ZINC000453205976 388009871 /nfs/dbraw/zinc/00/98/71/388009871.db2.gz DNQWREQVCBMBFZ-RYUDHWBXSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453309234 388040651 /nfs/dbraw/zinc/04/06/51/388040651.db2.gz PERUJZQADOXXPT-GFCCVEGCSA-N 1 0 241.375 2.372 20 30 BEEDRO CC#CC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000159762481 388029634 /nfs/dbraw/zinc/02/96/34/388029634.db2.gz YBGGHKKQWSRSAO-NSHDSACASA-N 1 0 206.289 2.355 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC(CC)(CC)C1 ZINC000446710420 388030918 /nfs/dbraw/zinc/03/09/18/388030918.db2.gz FGTLVMUMDFRBFF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000453338573 388051048 /nfs/dbraw/zinc/05/10/48/388051048.db2.gz GQYDSDMGOBYPQU-NDBYEHHHSA-N 1 0 247.342 2.212 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000160193469 388051226 /nfs/dbraw/zinc/05/12/26/388051226.db2.gz GCPULXXOQTVFPH-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000160192347 388052001 /nfs/dbraw/zinc/05/20/01/388052001.db2.gz ZHARBMBBEQDCMQ-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453359092 388057818 /nfs/dbraw/zinc/05/78/18/388057818.db2.gz NJYQJLWZEXRQCV-YUTCNCBUSA-N 1 0 232.327 2.384 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000453365398 388060279 /nfs/dbraw/zinc/06/02/79/388060279.db2.gz RSFBRPTVYNYXFB-DOMZBBRYSA-N 1 0 249.354 2.157 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000453380285 388066038 /nfs/dbraw/zinc/06/60/38/388066038.db2.gz ZRKUCFAKTFUSBZ-YUTCNCBUSA-N 1 0 232.327 2.466 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000453383535 388066247 /nfs/dbraw/zinc/06/62/47/388066247.db2.gz ZAXOUCXBWBBQQZ-LLVKDONJSA-N 1 0 207.321 2.345 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1ccc(F)cc1C#N ZINC000130411774 388068872 /nfs/dbraw/zinc/06/88/72/388068872.db2.gz FYNOFWONMRFKBU-VIFPVBQESA-N 1 0 221.279 2.059 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453399762 388072725 /nfs/dbraw/zinc/07/27/25/388072725.db2.gz LHCRWAPPPJWCBL-TZMCWYRMSA-N 1 0 238.375 2.380 20 30 BEEDRO CCC(C)(C)OCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000453400701 388072734 /nfs/dbraw/zinc/07/27/34/388072734.db2.gz CSRNAIDKYXLXAC-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCC[C@H](CN)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423293537 388076362 /nfs/dbraw/zinc/07/63/62/388076362.db2.gz ADBWMUAVJCQLAG-RWMBFGLXSA-N 1 0 223.364 2.176 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CCN1C ZINC000447545308 388076600 /nfs/dbraw/zinc/07/66/00/388076600.db2.gz QZATXEGYHNLEKZ-XJFOESAGSA-N 1 0 235.375 2.141 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOCC2CCCC2)C1 ZINC000453413099 388077511 /nfs/dbraw/zinc/07/75/11/388077511.db2.gz XZLANWGFEWCTKK-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)O1 ZINC000453411288 388077545 /nfs/dbraw/zinc/07/75/45/388077545.db2.gz QRNFRESXZVNQOW-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000447848799 388097602 /nfs/dbraw/zinc/09/76/02/388097602.db2.gz NBKZAAZGVSEHDI-BFHYXJOUSA-N 1 0 239.359 2.221 20 30 BEEDRO CC#CC[NH2+][C@H](C)[C@@H]1COc2ccccc21 ZINC000160156335 388047600 /nfs/dbraw/zinc/04/76/00/388047600.db2.gz UQYKRMSAPCJBDU-YPMHNXCESA-N 1 0 215.296 2.164 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CN)C1CC1 ZINC000423268430 388047763 /nfs/dbraw/zinc/04/77/63/388047763.db2.gz DRCMCBNSPTVFOP-OLZOCXBDSA-N 1 0 210.365 2.448 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)C1CCC1 ZINC000449198858 388157108 /nfs/dbraw/zinc/15/71/08/388157108.db2.gz AERJSOMGQUTBNB-AAEUAGOBSA-N 1 0 211.349 2.339 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449225776 388158807 /nfs/dbraw/zinc/15/88/07/388158807.db2.gz LELWAQWOVQJOAX-UHFFFAOYSA-N 1 0 248.326 2.003 20 30 BEEDRO CCN(CC)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449219582 388159305 /nfs/dbraw/zinc/15/93/05/388159305.db2.gz NUIQOCWIMLPDBW-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](Cc1ccoc1)[NH2+]CC(C)(C)C#N ZINC000449237805 388160229 /nfs/dbraw/zinc/16/02/29/388160229.db2.gz DEVLBBNLXKYPIR-JTQLQIEISA-N 1 0 206.289 2.350 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1nccnc1OC ZINC000449255045 388163138 /nfs/dbraw/zinc/16/31/38/388163138.db2.gz ZNOAIZWDZUUBNK-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1([NH3+])CCC1 ZINC000449283756 388167530 /nfs/dbraw/zinc/16/75/30/388167530.db2.gz MLPMULWYEXDRTO-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CSC[C@@H]1C ZINC000449298296 388168603 /nfs/dbraw/zinc/16/86/03/388168603.db2.gz HGIVCYNOVGNYQC-LOWDOPEQSA-N 1 0 241.400 2.309 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccncc2F)CC1 ZINC000449303097 388169765 /nfs/dbraw/zinc/16/97/65/388169765.db2.gz WYNHQWFMUZGCRM-UHFFFAOYSA-N 1 0 219.263 2.004 20 30 BEEDRO C[C@@H](Cc1ccoc1)[NH2+]CC1(CC#N)CC1 ZINC000449304132 388170353 /nfs/dbraw/zinc/17/03/53/388170353.db2.gz ZWKICNHGYGNYCA-NSHDSACASA-N 1 0 218.300 2.494 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000456114891 388179384 /nfs/dbraw/zinc/17/93/84/388179384.db2.gz JSYRCLRZGYVYOS-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000456117222 388179539 /nfs/dbraw/zinc/17/95/39/388179539.db2.gz OABGGAPCNQEJHT-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@H](C)NC(=O)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000454536512 388122551 /nfs/dbraw/zinc/12/25/51/388122551.db2.gz WSMIDQPSGPNHGP-AXFHLTTASA-N 1 0 248.330 2.153 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C(C)C)C1COC1 ZINC000590745532 388129305 /nfs/dbraw/zinc/12/93/05/388129305.db2.gz HXWIVNFOBBUPDL-UHFFFAOYSA-N 1 0 244.338 2.476 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249543810 388130197 /nfs/dbraw/zinc/13/01/97/388130197.db2.gz FSMZDFOKKJFXSI-LALPHHSUSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCNC(=O)C(C)C ZINC000449063513 388137548 /nfs/dbraw/zinc/13/75/48/388137548.db2.gz PUKJTBJNLARFEH-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]CC1(O)CCC1 ZINC000591764904 388139216 /nfs/dbraw/zinc/13/92/16/388139216.db2.gz RWRMAWFQXDEOEQ-CQSZACIVSA-N 1 0 242.322 2.050 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000646116591 388145709 /nfs/dbraw/zinc/14/57/09/388145709.db2.gz QPSPIJWARZXTMZ-STQMWFEESA-N 1 0 221.344 2.432 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000646116590 388145773 /nfs/dbraw/zinc/14/57/73/388145773.db2.gz QPSPIJWARZXTMZ-QWHCGFSZSA-N 1 0 221.344 2.432 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449143610 388148603 /nfs/dbraw/zinc/14/86/03/388148603.db2.gz IGICWEUQHSLHFB-AHPWVWPOSA-N 1 0 238.375 2.455 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)OC ZINC000449376673 388187086 /nfs/dbraw/zinc/18/70/86/388187086.db2.gz MJSMMXIFJZWLBC-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](CO)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449160582 388150574 /nfs/dbraw/zinc/15/05/74/388150574.db2.gz BRJGCWGSHYWQTK-ZFDZMSFRSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592080144 388150687 /nfs/dbraw/zinc/15/06/87/388150687.db2.gz LGGJTFFQIDEHOQ-SNVBAGLBSA-N 1 0 203.289 2.184 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)Cc1ccoc1 ZINC000449185856 388155235 /nfs/dbraw/zinc/15/52/35/388155235.db2.gz JVVRTKMNVCQZCF-GFCCVEGCSA-N 1 0 223.316 2.393 20 30 BEEDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccc(C#N)cc1 ZINC000038005766 388255410 /nfs/dbraw/zinc/25/54/10/388255410.db2.gz VQGSAHHCEQHTCR-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C#CC[N@@H+](Cc1cnn(C)c1)C1CCCCC1 ZINC000490839967 388256382 /nfs/dbraw/zinc/25/63/82/388256382.db2.gz LARFZFHBPZORSV-UHFFFAOYSA-N 1 0 231.343 2.188 20 30 BEEDRO C#CC[N@H+](Cc1ccno1)C1CCCC1 ZINC000490841894 388256836 /nfs/dbraw/zinc/25/68/36/388256836.db2.gz XJQMWVAEIVVPBT-UHFFFAOYSA-N 1 0 204.273 2.052 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC)c(C#N)c1 ZINC000490865872 388257113 /nfs/dbraw/zinc/25/71/13/388257113.db2.gz JNNYVRWGSSQDEA-UHFFFAOYSA-N 1 0 228.295 2.022 20 30 BEEDRO CC[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000400290749 388257804 /nfs/dbraw/zinc/25/78/04/388257804.db2.gz NUAIIWVTPQCQOV-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000192956398 388258532 /nfs/dbraw/zinc/25/85/32/388258532.db2.gz BOWXXMKYZUFBSQ-MQYQWHSLSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(CC)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000488788207 388195060 /nfs/dbraw/zinc/19/50/60/388195060.db2.gz XLRJJXAVEZAMBF-UHFFFAOYSA-N 1 0 247.342 2.286 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)C[N@@H+](CC)C1CC1 ZINC000488818784 388196026 /nfs/dbraw/zinc/19/60/26/388196026.db2.gz RLQKQHQCKNKSCN-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C(=O)N(C)CC)C(C)C ZINC000449439731 388206329 /nfs/dbraw/zinc/20/63/29/388206329.db2.gz JENLIRLUDHGQMZ-STQMWFEESA-N 1 0 240.391 2.434 20 30 BEEDRO CC#CCN1CCOc2ccc(F)cc2C1 ZINC000489241794 388206510 /nfs/dbraw/zinc/20/65/10/388206510.db2.gz XFLFUTQPOPLRNJ-UHFFFAOYSA-N 1 0 219.259 2.043 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000489392649 388211077 /nfs/dbraw/zinc/21/10/77/388211077.db2.gz AVVRHTHVCWKMSF-ZDUSSCGKSA-N 1 0 219.332 2.314 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccc(O)c1OC ZINC000449475558 388213734 /nfs/dbraw/zinc/21/37/34/388213734.db2.gz LLEFQHYXDYCCKO-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO CC[C@](C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000449480164 388214567 /nfs/dbraw/zinc/21/45/67/388214567.db2.gz XNSDLYYYYXTWIA-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000449477231 388214650 /nfs/dbraw/zinc/21/46/50/388214650.db2.gz OREVTZSEAJEHMB-UHFFFAOYSA-N 1 0 239.388 2.261 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000449480835 388215136 /nfs/dbraw/zinc/21/51/36/388215136.db2.gz ZYSBWBWIUKIYLR-WCQYABFASA-N 1 0 208.349 2.025 20 30 BEEDRO Cc1cccnc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449491410 388217831 /nfs/dbraw/zinc/21/78/31/388217831.db2.gz GSPNKORTLYCUJE-QWHCGFSZSA-N 1 0 229.327 2.214 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)CCOC(C)C ZINC000489500644 388220152 /nfs/dbraw/zinc/22/01/52/388220152.db2.gz SSXBLPKHDRWFJM-KBPBESRZSA-N 1 0 241.375 2.203 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(OCC)c(OC)c1 ZINC000490917481 388259480 /nfs/dbraw/zinc/25/94/80/388259480.db2.gz YDESJOJORNSWMW-NSHDSACASA-N 1 0 233.311 2.378 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](O)c1ccc(Cl)cc1 ZINC000490917497 388259501 /nfs/dbraw/zinc/25/95/01/388259501.db2.gz YIFMGZUWIGOXKQ-ZDUSSCGKSA-N 1 0 237.730 2.329 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C ZINC000449517668 388222470 /nfs/dbraw/zinc/22/24/70/388222470.db2.gz GPRQRKJMEVENOE-KGLIPLIRSA-N 1 0 217.312 2.428 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)Cc1ccoc1 ZINC000449523197 388223385 /nfs/dbraw/zinc/22/33/85/388223385.db2.gz WUQSSEKSVBEHPH-RTXFEEFZSA-N 1 0 221.300 2.144 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449547331 388228712 /nfs/dbraw/zinc/22/87/12/388228712.db2.gz HVAMTJCFDTXDIY-LPWJVIDDSA-N 1 0 220.316 2.002 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449547330 388228988 /nfs/dbraw/zinc/22/89/88/388228988.db2.gz HVAMTJCFDTXDIY-LOWDOPEQSA-N 1 0 220.316 2.002 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000449546480 388229179 /nfs/dbraw/zinc/22/91/79/388229179.db2.gz CFYKDKKJTXPHLL-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnn(CCC)c1 ZINC000449546690 388229311 /nfs/dbraw/zinc/22/93/11/388229311.db2.gz DHAVTXGBMPZHNJ-KGLIPLIRSA-N 1 0 249.358 2.116 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1CCOCC1 ZINC000449549217 388229727 /nfs/dbraw/zinc/22/97/27/388229727.db2.gz VTLKAUHNSKZFIG-YUTCNCBUSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1nccs1 ZINC000090451047 256564323 /nfs/dbraw/zinc/56/43/23/256564323.db2.gz WWXOHXLNOQJMBJ-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO C[C@H]([NH2+]CCN1CCCC1)c1cccc(C#N)c1 ZINC000037228740 388238170 /nfs/dbraw/zinc/23/81/70/388238170.db2.gz SFPBOKHRFDPWRI-ZDUSSCGKSA-N 1 0 243.354 2.305 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CC[S@](C)=O ZINC000164633860 388242013 /nfs/dbraw/zinc/24/20/13/388242013.db2.gz OXFOUMFLGFISHN-COPLHBTASA-N 1 0 217.378 2.088 20 30 BEEDRO CCCc1ncc(C[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000449613683 388243733 /nfs/dbraw/zinc/24/37/33/388243733.db2.gz SPNWIMKIOWGLET-MNOVXSKESA-N 1 0 233.315 2.409 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451572076 388282886 /nfs/dbraw/zinc/28/28/86/388282886.db2.gz XCALRXHWCODAQZ-OLZOCXBDSA-N 1 0 241.375 2.060 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000451602131 388283407 /nfs/dbraw/zinc/28/34/07/388283407.db2.gz WMJGWYAFVMAWQR-PWSUYJOCSA-N 1 0 244.294 2.261 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451613189 388284205 /nfs/dbraw/zinc/28/42/05/388284205.db2.gz NAGPXMGBTRRQFA-UONOGXRCSA-N 1 0 223.360 2.339 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CCC(C)(C)O1 ZINC000491337645 388285795 /nfs/dbraw/zinc/28/57/95/388285795.db2.gz BPYLMVKNZBFMAI-NSHDSACASA-N 1 0 209.333 2.288 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451650074 388288165 /nfs/dbraw/zinc/28/81/65/388288165.db2.gz UHMAKHJTJBJHNT-CHWSQXEVSA-N 1 0 241.400 2.141 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](F)CC ZINC000451681466 388289854 /nfs/dbraw/zinc/28/98/54/388289854.db2.gz MRFJFRBGWNLZBG-MXWKQRLJSA-N 1 0 201.285 2.058 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC1CCOCC1 ZINC000451681081 388289928 /nfs/dbraw/zinc/28/99/28/388289928.db2.gz LEHWRJPBRUJKTQ-KGLIPLIRSA-N 1 0 239.359 2.126 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCN(C)c1ccccc1 ZINC000491375585 388289952 /nfs/dbraw/zinc/28/99/52/388289952.db2.gz WQXQUJBKGWVCBO-CYBMUJFWSA-N 1 0 216.328 2.076 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451705529 388291069 /nfs/dbraw/zinc/29/10/69/388291069.db2.gz ZBSRYXUSVDAZSL-RDBSUJKOSA-N 1 0 223.360 2.436 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCO[C@H](CC)C1)C1CC1 ZINC000491427357 388291802 /nfs/dbraw/zinc/29/18/02/388291802.db2.gz KNIVATPPHDZAJF-TZMCWYRMSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)CCC(C)C)C(C)C ZINC000491395480 388291862 /nfs/dbraw/zinc/29/18/62/388291862.db2.gz SOSYXXOLEJMAOJ-CHWSQXEVSA-N 1 0 211.349 2.031 20 30 BEEDRO C#CCN(C)Cc1ccc(C#N)cc1Cl ZINC000491418429 388293259 /nfs/dbraw/zinc/29/32/59/388293259.db2.gz QSVGJKZYBWMJKS-UHFFFAOYSA-N 1 0 218.687 2.277 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000451810213 388298004 /nfs/dbraw/zinc/29/80/04/388298004.db2.gz KRDOZGFROZWZBE-AWEZNQCLSA-N 1 0 247.313 2.192 20 30 BEEDRO C=C(CC)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000451846871 388300449 /nfs/dbraw/zinc/30/04/49/388300449.db2.gz RVQLGRHRQQVDLL-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C(C)(C)C(=C)C ZINC000491545998 388303188 /nfs/dbraw/zinc/30/31/88/388303188.db2.gz TVVKOGXGBDKBMO-CYBMUJFWSA-N 1 0 249.354 2.230 20 30 BEEDRO C#C[C@H]([NH2+]C1CCN(C(C)C)CC1)C(C)(C)C ZINC000491617646 388305208 /nfs/dbraw/zinc/30/52/08/388305208.db2.gz BKPOGCGPGQXRRJ-AWEZNQCLSA-N 1 0 236.403 2.497 20 30 BEEDRO C#CC[N@@H+](CC1(C(=O)OC)CC1)C1CCCCC1 ZINC000491620041 388305438 /nfs/dbraw/zinc/30/54/38/388305438.db2.gz FUAFXVWHGHRPFC-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C#C[C@@H](C)N(C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491643842 388307574 /nfs/dbraw/zinc/30/75/74/388307574.db2.gz HVYHJCOJYRJZQM-CYBMUJFWSA-N 1 0 244.338 2.195 20 30 BEEDRO C#CC[N@@H+](Cc1cc(F)cc(OC)c1)C1CC1 ZINC000491654085 388308370 /nfs/dbraw/zinc/30/83/70/388308370.db2.gz OZFTWZKJBBPSMS-UHFFFAOYSA-N 1 0 233.286 2.432 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2c(C)cccn12)C(C)C ZINC000491659186 388308899 /nfs/dbraw/zinc/30/88/99/388308899.db2.gz CHOARWBGYUUAAB-AWEZNQCLSA-N 1 0 241.338 2.390 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000491665015 388309403 /nfs/dbraw/zinc/30/94/03/388309403.db2.gz UFJGSWZTAOTYQG-LLVKDONJSA-N 1 0 232.283 2.091 20 30 BEEDRO C#C[C@@H](CCC)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000491697925 388312053 /nfs/dbraw/zinc/31/20/53/388312053.db2.gz RWBXRPMWHOKPME-STQMWFEESA-N 1 0 238.375 2.025 20 30 BEEDRO C#CC[N@H+](Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000491696640 388312121 /nfs/dbraw/zinc/31/21/21/388312121.db2.gz JPCGFWIXVUMDFD-UHFFFAOYSA-N 1 0 243.306 2.055 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CC1=Cc2ccccc2OC1 ZINC000491701042 388312710 /nfs/dbraw/zinc/31/27/10/388312710.db2.gz GWFUQIBVXXGEQZ-AWEZNQCLSA-N 1 0 227.307 2.464 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C1CCCCC1)C1CC1 ZINC000491702587 388312795 /nfs/dbraw/zinc/31/27/95/388312795.db2.gz RKZXISUINJQXPM-CQSZACIVSA-N 1 0 221.344 2.025 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N(CC)CC)c1ccc(F)cc1 ZINC000491709453 388313722 /nfs/dbraw/zinc/31/37/22/388313722.db2.gz RLSVUGSQEMFJFC-CYBMUJFWSA-N 1 0 247.317 2.366 20 30 BEEDRO C#CC[N@H+](Cc1cnc[nH]1)C1CCCCC1 ZINC000491723406 388314712 /nfs/dbraw/zinc/31/47/12/388314712.db2.gz BGTHMQCFYLKUHR-UHFFFAOYSA-N 1 0 217.316 2.178 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000491732477 388315751 /nfs/dbraw/zinc/31/57/51/388315751.db2.gz AEJBVUAFALSEBL-SNVBAGLBSA-N 1 0 213.284 2.016 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000491742024 388317032 /nfs/dbraw/zinc/31/70/32/388317032.db2.gz SDSZGYPCYOUIOS-LLVKDONJSA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)cc(OC)nc1C ZINC000491778297 388320230 /nfs/dbraw/zinc/32/02/30/388320230.db2.gz GCJJPFFUMISGMO-GFCCVEGCSA-N 1 0 232.327 2.208 20 30 BEEDRO C#C[C@@H](C)N(C)CC[N@H+](C)Cc1ccccc1 ZINC000491811145 388322631 /nfs/dbraw/zinc/32/26/31/388322631.db2.gz KVHZZAROPNFLOG-CQSZACIVSA-N 1 0 230.355 2.072 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000490947621 388261316 /nfs/dbraw/zinc/26/13/16/388261316.db2.gz ADWRJEOFBFMAJS-LLVKDONJSA-N 1 0 249.276 2.178 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000336663344 388262448 /nfs/dbraw/zinc/26/24/48/388262448.db2.gz CWOSCNJBXFDHGY-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C(=O)N(C)CC)C(C)C ZINC000451317932 388262747 /nfs/dbraw/zinc/26/27/47/388262747.db2.gz XDSOVYPQZKPICL-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C#CCN(CC#CC)Cc1ccc(C)nc1C ZINC000491022502 388265745 /nfs/dbraw/zinc/26/57/45/388265745.db2.gz RSFZHJUYDXCZNH-UHFFFAOYSA-N 1 0 226.323 2.157 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000491101775 388269141 /nfs/dbraw/zinc/26/91/41/388269141.db2.gz KXZLIZIMXXZSGI-OCCSQVGLSA-N 1 0 217.312 2.328 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000491118375 388270438 /nfs/dbraw/zinc/27/04/38/388270438.db2.gz CYYGAXCNANARKJ-WCQYABFASA-N 1 0 243.306 2.420 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)cn1)C1CCCC1 ZINC000491106777 388270601 /nfs/dbraw/zinc/27/06/01/388270601.db2.gz ZIUYEIXZEGHRCB-UHFFFAOYSA-N 1 0 244.338 2.468 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451485996 388277178 /nfs/dbraw/zinc/27/71/78/388277178.db2.gz JNOOIHQCYGTHIQ-CMPLNLGQSA-N 1 0 222.332 2.083 20 30 BEEDRO CCO[C@H]1CC[N@H+](CCCCC#N)C[C@@H]1C ZINC000451546473 388278552 /nfs/dbraw/zinc/27/85/52/388278552.db2.gz SCSZEPRAFAWPDI-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C#CC[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000491253756 388280267 /nfs/dbraw/zinc/28/02/67/388280267.db2.gz PQCYJPQLKJWTIB-UHFFFAOYSA-N 1 0 224.307 2.350 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000491264101 388280617 /nfs/dbraw/zinc/28/06/17/388280617.db2.gz FAUIWNOMAMBEAT-AWEZNQCLSA-N 1 0 239.322 2.374 20 30 BEEDRO C[C@H](O)C[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000594056026 388347084 /nfs/dbraw/zinc/34/70/84/388347084.db2.gz RIWUXPCPOCGOSW-JTQLQIEISA-N 1 0 248.301 2.043 20 30 BEEDRO COCC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032769 388347128 /nfs/dbraw/zinc/34/71/28/388347128.db2.gz ORJPBPXHFMDPSP-UHFFFAOYSA-N 1 0 230.311 2.173 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C)nc2sc(C)nn21 ZINC000276075432 388347538 /nfs/dbraw/zinc/34/75/38/388347538.db2.gz WPZYLCPMKMQJKF-UHFFFAOYSA-N 1 0 236.344 2.073 20 30 BEEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)C#N ZINC000122237335 388369202 /nfs/dbraw/zinc/36/92/02/388369202.db2.gz ZPYWYAJUBMCUDP-NSHDSACASA-N 1 0 232.327 2.463 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000594914059 388373399 /nfs/dbraw/zinc/37/33/99/388373399.db2.gz CDUOTDMKNAFATG-UONOGXRCSA-N 1 0 230.311 2.215 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000572753013 388373559 /nfs/dbraw/zinc/37/35/59/388373559.db2.gz TUODZFRFZFCMNH-AWEZNQCLSA-N 1 0 243.354 2.406 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000133019387 388374804 /nfs/dbraw/zinc/37/48/04/388374804.db2.gz UMIUDRAOJMTVHU-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO CCOC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055842 388375935 /nfs/dbraw/zinc/37/59/35/388375935.db2.gz KJIOSEHRJPSPJI-GFCCVEGCSA-N 1 0 232.327 2.115 20 30 BEEDRO CCOC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055843 388376074 /nfs/dbraw/zinc/37/60/74/388376074.db2.gz KJIOSEHRJPSPJI-LBPRGKRZSA-N 1 0 232.327 2.115 20 30 BEEDRO COC[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595055871 388376151 /nfs/dbraw/zinc/37/61/51/388376151.db2.gz LJBWHEAIMUVMRN-HNNXBMFYSA-N 1 0 246.354 2.361 20 30 BEEDRO CC[C@H](COC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055596 388376287 /nfs/dbraw/zinc/37/62/87/388376287.db2.gz GZDUQBYVPPNNIW-CQSZACIVSA-N 1 0 232.327 2.115 20 30 BEEDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1ccc(C#N)cc1 ZINC000228041980 388376858 /nfs/dbraw/zinc/37/68/58/388376858.db2.gz AKOQBCAMRGSCRB-NWDGAFQWSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CCOC1 ZINC000163378813 388377868 /nfs/dbraw/zinc/37/78/68/388377868.db2.gz LFWVKSGDSJWBBC-PWSUYJOCSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000572830044 388379742 /nfs/dbraw/zinc/37/97/42/388379742.db2.gz XSYGPEKWVULOBV-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOc1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000236623557 388381398 /nfs/dbraw/zinc/38/13/98/388381398.db2.gz WOMPOGOKEFKTEQ-UHFFFAOYSA-N 1 0 248.326 2.175 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000228557963 388385368 /nfs/dbraw/zinc/38/53/68/388385368.db2.gz JDWSALKRRHYSPM-VIFPVBQESA-N 1 0 238.381 2.462 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]C(C)C ZINC000572894000 388386094 /nfs/dbraw/zinc/38/60/94/388386094.db2.gz LBKXQTSNSHKKJR-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271545876 388392888 /nfs/dbraw/zinc/39/28/88/388392888.db2.gz QAYMVAOQGUFIOQ-BXUZGUMPSA-N 1 0 248.326 2.444 20 30 BEEDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cccc(F)c1C#N ZINC000229606700 388395151 /nfs/dbraw/zinc/39/51/51/388395151.db2.gz BWYDVBBXKIABGB-CABZTGNLSA-N 1 0 233.290 2.250 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000272289766 388402308 /nfs/dbraw/zinc/40/23/08/388402308.db2.gz NXQRDABWCUVGSE-LBPRGKRZSA-N 1 0 232.327 2.199 20 30 BEEDRO C=C(C)CC[NH2+]C(C)(C)CN1CCCC1 ZINC000308634995 388446611 /nfs/dbraw/zinc/44/66/11/388446611.db2.gz MZOTULADROIXQA-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc(OC)c1 ZINC000649236555 388465185 /nfs/dbraw/zinc/46/51/85/388465185.db2.gz XXGOYXGGYPOYPQ-AWEZNQCLSA-N 1 0 235.327 2.064 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000170819663 388468866 /nfs/dbraw/zinc/46/88/66/388468866.db2.gz VIDRNZZBWVYDSM-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO CC1CCC([N@H+](C)CCOCCC#N)CC1 ZINC000338890655 388478404 /nfs/dbraw/zinc/47/84/04/388478404.db2.gz VYXNSTZURPDLNW-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000524971702 388414322 /nfs/dbraw/zinc/41/43/22/388414322.db2.gz VKVSTGLLPINZGK-CYBMUJFWSA-N 1 0 219.328 2.446 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc2ccccn12 ZINC000648727248 388415866 /nfs/dbraw/zinc/41/58/66/388415866.db2.gz VPCYPSHIHCCROF-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271986369 388416827 /nfs/dbraw/zinc/41/68/27/388416827.db2.gz YFBYHLVSAWDYDW-UWVGGRQHSA-N 1 0 236.290 2.119 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)ccc1C#N ZINC000443987095 388422107 /nfs/dbraw/zinc/42/21/07/388422107.db2.gz IMXNJRBNWCTUQN-UKRRQHHQSA-N 1 0 244.338 2.117 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)C[C@H](C)O)ccc1C#N ZINC000443992407 388422442 /nfs/dbraw/zinc/42/24/42/388422442.db2.gz XFPHBIVOICINBF-RYUDHWBXSA-N 1 0 232.327 2.116 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443988579 388423204 /nfs/dbraw/zinc/42/32/04/388423204.db2.gz LNQNYPIAOSGVFS-AWEZNQCLSA-N 1 0 232.327 2.381 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000307764390 388425225 /nfs/dbraw/zinc/42/52/25/388425225.db2.gz MGOUYGMPRBEGBG-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](CC)C1CCC1 ZINC000322266848 388429684 /nfs/dbraw/zinc/42/96/84/388429684.db2.gz IZSBUAZBZZQCGE-AWEZNQCLSA-N 1 0 222.376 2.110 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000322369125 388433022 /nfs/dbraw/zinc/43/30/22/388433022.db2.gz YVLWGWGGKSMNEQ-FVCCEPFGSA-N 1 0 211.349 2.338 20 30 BEEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]2CCO[C@H]21 ZINC000246145185 388438946 /nfs/dbraw/zinc/43/89/46/388438946.db2.gz KPMNVPWVEWEGQQ-YNEHKIRRSA-N 1 0 246.310 2.054 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1CC(C)(C)C1 ZINC000528522101 388542536 /nfs/dbraw/zinc/54/25/36/388542536.db2.gz RJPWJCQYVOALJQ-NEPJUHHUSA-N 1 0 209.333 2.356 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)O ZINC000340493989 388491647 /nfs/dbraw/zinc/49/16/47/388491647.db2.gz AJQLVEHDRKPFHN-TUAOUCFPSA-N 1 0 224.348 2.208 20 30 BEEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCCO1 ZINC000342686181 388499290 /nfs/dbraw/zinc/49/92/90/388499290.db2.gz AEHDZKCFVLBOCR-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO CC[C@]1(C)C[N@H+](CCCCC#N)CCO1 ZINC000135589911 388501043 /nfs/dbraw/zinc/50/10/43/388501043.db2.gz QJACIAUXUMEYQW-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCC)[C@H]1CC1(C)C ZINC000397819449 388501722 /nfs/dbraw/zinc/50/17/22/388501722.db2.gz PTBZRXPCDCMEQJ-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C)(CC)CC1 ZINC000649278326 388503913 /nfs/dbraw/zinc/50/39/13/388503913.db2.gz HMOFYVMMJMUFHK-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548065060 388506747 /nfs/dbraw/zinc/50/67/47/388506747.db2.gz BDKBGVQIHVJCKE-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064517 388507408 /nfs/dbraw/zinc/50/74/08/388507408.db2.gz UXTASPJMAZABSR-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CO)C1CCCCC1 ZINC000548095559 388510483 /nfs/dbraw/zinc/51/04/83/388510483.db2.gz WPBUYDYEEWEYOO-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](CC)Cc1ccoc1 ZINC000649280501 388513090 /nfs/dbraw/zinc/51/30/90/388513090.db2.gz FUHSXFHHLHENOQ-GFCCVEGCSA-N 1 0 209.289 2.039 20 30 BEEDRO CC1(C)CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528382361 388517961 /nfs/dbraw/zinc/51/79/61/388517961.db2.gz PRUNOCWYUJWKCP-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1CCC ZINC000548159465 388518640 /nfs/dbraw/zinc/51/86/40/388518640.db2.gz DCBSYJGXLOWACA-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(C)s1 ZINC000649283005 388525640 /nfs/dbraw/zinc/52/56/40/388525640.db2.gz CEYBQVYYNFLJHD-GFCCVEGCSA-N 1 0 225.357 2.425 20 30 BEEDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000136314803 388530616 /nfs/dbraw/zinc/53/06/16/388530616.db2.gz DJGGYXNIZBMASU-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCCn1ccnc1C ZINC000517038983 388535184 /nfs/dbraw/zinc/53/51/84/388535184.db2.gz TZGDRZBUWDJLME-CYBMUJFWSA-N 1 0 234.347 2.254 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CO)c1ccccc1C ZINC000548423408 388535706 /nfs/dbraw/zinc/53/57/06/388535706.db2.gz YWWXXHPVTNZODU-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)O1 ZINC000296380072 388601875 /nfs/dbraw/zinc/60/18/75/388601875.db2.gz KIQIREQYSCXWHP-GYSYKLTISA-N 1 0 230.311 2.214 20 30 BEEDRO C[C@H](O)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000354872276 388602133 /nfs/dbraw/zinc/60/21/33/388602133.db2.gz POONOTQPWFYPHN-LBPRGKRZSA-N 1 0 232.327 2.151 20 30 BEEDRO CCC1(C)C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000297319402 388604211 /nfs/dbraw/zinc/60/42/11/388604211.db2.gz CYIMEFXXNOXHPK-UHFFFAOYSA-N 1 0 217.316 2.129 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](CC)CC1 ZINC000649315979 388604649 /nfs/dbraw/zinc/60/46/49/388604649.db2.gz HWTKSYQNXPKLFG-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1ncccc1C#N ZINC000298397316 388606995 /nfs/dbraw/zinc/60/69/95/388606995.db2.gz IBQNBDTYQDQMOR-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C#CC[N@@H+](C[C@@H](C)COC)C1CCCC1 ZINC000187413664 388608237 /nfs/dbraw/zinc/60/82/37/388608237.db2.gz WVSMCBDCEGXRHJ-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)CC[N@@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528617107 388552726 /nfs/dbraw/zinc/55/27/26/388552726.db2.gz OWNUVQIYEYNWLT-UHFFFAOYSA-N 1 0 233.315 2.265 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186792911 256866895 /nfs/dbraw/zinc/86/68/95/256866895.db2.gz JSNUHBWRNNOODY-FDYHWXHSSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCCCN(CC[NH+](C)C)Cc1ccccn1 ZINC000517583668 388554161 /nfs/dbraw/zinc/55/41/61/388554161.db2.gz OHOQWGWGLSZNML-UHFFFAOYSA-N 1 0 247.386 2.411 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000521032438 388559353 /nfs/dbraw/zinc/55/93/53/388559353.db2.gz NTAPDXDWKSHWKS-IDKOKCKLSA-N 1 0 245.248 2.360 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000528846634 388578367 /nfs/dbraw/zinc/57/83/67/388578367.db2.gz IZZRASKQJFZDJP-CQSZACIVSA-N 1 0 230.311 2.154 20 30 BEEDRO CCCCN(C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000112376697 388666786 /nfs/dbraw/zinc/66/67/86/388666786.db2.gz NIBMLLJSZSITBL-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO CCCN1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000552100479 388669426 /nfs/dbraw/zinc/66/94/26/388669426.db2.gz JZYKYHKBNFSZBN-RDBSUJKOSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000521255180 388671161 /nfs/dbraw/zinc/67/11/61/388671161.db2.gz ZVTIBRCXKPELKP-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@H]2CCO)ccc1C#N ZINC000489022056 388671217 /nfs/dbraw/zinc/67/12/17/388671217.db2.gz ZUKQFRASLCFFTE-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1cc(C[N@H+](C)CCCCO)ccc1C#N ZINC000489012572 388671396 /nfs/dbraw/zinc/67/13/96/388671396.db2.gz MHLODHGPVQVADS-UHFFFAOYSA-N 1 0 232.327 2.071 20 30 BEEDRO CC(C)OC(=O)[C@@H]1CCC[N@@H+]1CCCCC#N ZINC000125399143 388671504 /nfs/dbraw/zinc/67/15/04/388671504.db2.gz UKIGGMWYMKXHCJ-LBPRGKRZSA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@@H](Nc1cc(C#N)ccn1)C(C)(C)C[NH+](C)C ZINC000521653966 388673619 /nfs/dbraw/zinc/67/36/19/388673619.db2.gz IMFQDDZKGYZQMI-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2nc(C#N)cs2)C[C@H]1C ZINC000418132292 388675216 /nfs/dbraw/zinc/67/52/16/388675216.db2.gz YUYTURYUOPFXFA-OPRDCNLKSA-N 1 0 235.356 2.491 20 30 BEEDRO COc1cc(C[NH2+]C[C@@H]2CC23CC3)ccc1C#N ZINC000418089368 388675374 /nfs/dbraw/zinc/67/53/74/388675374.db2.gz CBSUBZLZVSESSH-ZDUSSCGKSA-N 1 0 242.322 2.457 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CC23CC3)c1 ZINC000418090184 388675446 /nfs/dbraw/zinc/67/54/46/388675446.db2.gz DJRZGSZDJCDCLQ-CYBMUJFWSA-N 1 0 212.296 2.448 20 30 BEEDRO C#CCN(C)[C@H](C)c1nc(-c2cccs2)no1 ZINC000192219620 388676151 /nfs/dbraw/zinc/67/61/51/388676151.db2.gz SDFUTUUUGPHNMY-SECBINFHSA-N 1 0 247.323 2.424 20 30 BEEDRO C[NH+](C)[C@@H](CNc1cccc(F)c1C#N)C1CC1 ZINC000078542620 388682390 /nfs/dbraw/zinc/68/23/90/388682390.db2.gz MEJQALYEWXCHTO-AWEZNQCLSA-N 1 0 247.317 2.449 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000248521786 388683160 /nfs/dbraw/zinc/68/31/60/388683160.db2.gz RSIMUZCZIZSSQW-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566031 388622572 /nfs/dbraw/zinc/62/25/72/388622572.db2.gz IBGMIDXWBWENHZ-JQWIXIFHSA-N 1 0 248.301 2.384 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404162654 388633928 /nfs/dbraw/zinc/63/39/28/388633928.db2.gz QZZKWSFXYNUEGC-CQSZACIVSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1C#N ZINC000230156330 388634519 /nfs/dbraw/zinc/63/45/19/388634519.db2.gz WOWYINHCZJIRKW-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000230159810 388634630 /nfs/dbraw/zinc/63/46/30/388634630.db2.gz WKLIDKLHGWSXMZ-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000230151849 388634713 /nfs/dbraw/zinc/63/47/13/388634713.db2.gz JTYMWNOFPWYUFW-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000230151243 388634948 /nfs/dbraw/zinc/63/49/48/388634948.db2.gz XRGVQVJDUPNIJJ-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCOC2)s1 ZINC000230162825 388634954 /nfs/dbraw/zinc/63/49/54/388634954.db2.gz OMPJPGMPLZMFLK-JTQLQIEISA-N 1 0 236.340 2.136 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230165232 388635070 /nfs/dbraw/zinc/63/50/70/388635070.db2.gz SSTAVCKWTBUQHN-GFCCVEGCSA-N 1 0 230.311 2.074 20 30 BEEDRO N#CC1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000405104004 388637533 /nfs/dbraw/zinc/63/75/33/388637533.db2.gz FUZBSSIELNJNAK-KBPBESRZSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405106630 388637764 /nfs/dbraw/zinc/63/77/64/388637764.db2.gz YYEGJTQAKOLYPQ-MNOVXSKESA-N 1 0 224.373 2.411 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405106642 388637919 /nfs/dbraw/zinc/63/79/19/388637919.db2.gz YYEGJTQAKOLYPQ-QWRGUYRKSA-N 1 0 224.373 2.411 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]Cc1cccc(C#N)c1 ZINC000304241807 388639385 /nfs/dbraw/zinc/63/93/85/388639385.db2.gz MEDKVLBXYTZLNS-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304378997 388640190 /nfs/dbraw/zinc/64/01/90/388640190.db2.gz XWZIXDYBDRJCTP-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C#N)cc1F ZINC000305823474 388642971 /nfs/dbraw/zinc/64/29/71/388642971.db2.gz PZNPRMLIANCNFD-VHSXEESVSA-N 1 0 236.290 2.119 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCC[C@@H]1O ZINC000061947950 388648169 /nfs/dbraw/zinc/64/81/69/388648169.db2.gz FKTRZEFCNCMRSH-CABCVRRESA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H](CNc1ccnc(C#N)c1)C[NH+]1CCCC1 ZINC000062075528 388649623 /nfs/dbraw/zinc/64/96/23/388649623.db2.gz PKBMOTZAZRUDOD-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000552010021 388657983 /nfs/dbraw/zinc/65/79/83/388657983.db2.gz KOAOSZBLJVRGOW-UHFFFAOYSA-N 1 0 246.289 2.072 20 30 BEEDRO CC[NH2+]CCCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000519138270 388664529 /nfs/dbraw/zinc/66/45/29/388664529.db2.gz NJXOAHPSJWKQSF-NSHDSACASA-N 1 0 249.333 2.348 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000092393852 388734263 /nfs/dbraw/zinc/73/42/63/388734263.db2.gz YZRATKZZDQAJQV-SMDDNHRTSA-N 1 0 232.327 2.226 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC(CCCO)CC2)o1 ZINC000272814468 388741317 /nfs/dbraw/zinc/74/13/17/388741317.db2.gz BBUHDKKZANWKQI-UHFFFAOYSA-N 1 0 248.326 2.136 20 30 BEEDRO CN(CC(C)(C)C[NH3+])c1ccc(F)cc1C#N ZINC000093874584 388746280 /nfs/dbraw/zinc/74/62/80/388746280.db2.gz IAOASUATAWBWJN-UHFFFAOYSA-N 1 0 235.306 2.118 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001172493631 974842057 /nfs/dbraw/zinc/84/20/57/974842057.db2.gz NENVKJNQPMRRJN-QWHCGFSZSA-N 1 0 224.348 2.306 20 30 BEEDRO CC[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179462 388687770 /nfs/dbraw/zinc/68/77/70/388687770.db2.gz DJSZOOSBYHPWSM-LSDHHAIUSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000248648767 388688739 /nfs/dbraw/zinc/68/87/39/388688739.db2.gz UFJSOMBJYDDMJL-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423229328 388690375 /nfs/dbraw/zinc/69/03/75/388690375.db2.gz AUYPNNJGOMAXIR-CMPLNLGQSA-N 1 0 247.317 2.100 20 30 BEEDRO C[C@H](NCC1([NH3+])CCC1)c1cccc(C#N)c1 ZINC000423336626 388691264 /nfs/dbraw/zinc/69/12/64/388691264.db2.gz UUBPKMHRALUAAJ-NSHDSACASA-N 1 0 229.327 2.090 20 30 BEEDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc(C#N)cc1F ZINC000423335898 388691418 /nfs/dbraw/zinc/69/14/18/388691418.db2.gz UIXUKXZXEMPVAD-SNVBAGLBSA-N 1 0 247.317 2.229 20 30 BEEDRO CC[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313904 388691659 /nfs/dbraw/zinc/69/16/59/388691659.db2.gz GIPMZPXURCWUOY-CABCVRRESA-N 1 0 243.354 2.336 20 30 BEEDRO N#Cc1ccc(CNCc2ncccc2F)s1 ZINC000126296367 388693647 /nfs/dbraw/zinc/69/36/47/388693647.db2.gz CUARDMMNUIVJOU-UHFFFAOYSA-N 1 0 247.298 2.444 20 30 BEEDRO CN1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000126486952 388695878 /nfs/dbraw/zinc/69/58/78/388695878.db2.gz GTTVCAOIYLIODF-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2CC=CC2)n1 ZINC000527743107 388700187 /nfs/dbraw/zinc/70/01/87/388700187.db2.gz FIWIWYSSBIJYKV-UHFFFAOYSA-N 1 0 219.313 2.071 20 30 BEEDRO CC(C)N(C)CC[NH2+]CC(C)(C)CCC#N ZINC000126746333 388700339 /nfs/dbraw/zinc/70/03/39/388700339.db2.gz UCLBMZOHLLCXLT-UHFFFAOYSA-N 1 0 225.380 2.246 20 30 BEEDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(C#N)s1 ZINC000527767717 388700724 /nfs/dbraw/zinc/70/07/24/388700724.db2.gz XZJWYGRIKJSGOS-RNCFNFMXSA-N 1 0 248.351 2.277 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000527804619 388701364 /nfs/dbraw/zinc/70/13/64/388701364.db2.gz QPWRBIHDLBTSTB-ZAZJYDDPSA-N 1 0 244.338 2.460 20 30 BEEDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cc(C#N)cs1 ZINC000527766730 388701383 /nfs/dbraw/zinc/70/13/83/388701383.db2.gz QBGGQVUGOKHFDV-GXFFZTMASA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000193367912 388702549 /nfs/dbraw/zinc/70/25/49/388702549.db2.gz HJJRLHVPPXQXIV-ZDUSSCGKSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CC[N@H+](CCCO)CCc1ccccc1 ZINC000065959636 388707355 /nfs/dbraw/zinc/70/73/55/388707355.db2.gz ABTBGUMLTLKVCU-UHFFFAOYSA-N 1 0 219.328 2.100 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000193545092 388707787 /nfs/dbraw/zinc/70/77/87/388707787.db2.gz JBLVPDFJJHYTSN-SWLSCSKDSA-N 1 0 231.405 2.432 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000193558012 388709050 /nfs/dbraw/zinc/70/90/50/388709050.db2.gz BUHSSKJDBRTPEO-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCC)c1ccccc1 ZINC000193630792 388711809 /nfs/dbraw/zinc/71/18/09/388711809.db2.gz YWBIIIJXGYUSIL-CQSZACIVSA-N 1 0 246.354 2.420 20 30 BEEDRO CC(C)N1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000127043990 388712077 /nfs/dbraw/zinc/71/20/77/388712077.db2.gz HVHDSCRJHQVELI-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765667 388716795 /nfs/dbraw/zinc/71/67/95/388716795.db2.gz VZRAUJCEKIWRQC-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNCc1ccc(C#N)cc1 ZINC000069675305 388724493 /nfs/dbraw/zinc/72/44/93/388724493.db2.gz JAFPJDHTAGZKDO-CYBMUJFWSA-N 1 0 245.370 2.378 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000020206860 388756967 /nfs/dbraw/zinc/75/69/67/388756967.db2.gz IQNHLAIQHBYZBC-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000229515005 388792106 /nfs/dbraw/zinc/79/21/06/388792106.db2.gz YWSQANAZNOWLAX-CQSZACIVSA-N 1 0 217.312 2.334 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(F)cc1F ZINC000229526687 388793070 /nfs/dbraw/zinc/79/30/70/388793070.db2.gz WCDRUDZZNCLRQL-LLVKDONJSA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000229527926 388793449 /nfs/dbraw/zinc/79/34/49/388793449.db2.gz PIQQYDXIKOZXAL-NSHDSACASA-N 1 0 218.256 2.096 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1NC(C)=O ZINC000229894970 388802983 /nfs/dbraw/zinc/80/29/83/388802983.db2.gz JVEHRFFMZRSTRH-CYBMUJFWSA-N 1 0 230.311 2.146 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000229891245 388803097 /nfs/dbraw/zinc/80/30/97/388803097.db2.gz BPJOGJMMMDDVNX-CQSZACIVSA-N 1 0 239.322 2.374 20 30 BEEDRO N#CC1(C[NH+]2CCc3ccccc3CC2)CC1 ZINC000539449984 388760763 /nfs/dbraw/zinc/76/07/63/388760763.db2.gz BXBDHXHMVKDVPW-UHFFFAOYSA-N 1 0 226.323 2.391 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000648745640 388785564 /nfs/dbraw/zinc/78/55/64/388785564.db2.gz YXKRFATUCNUTNQ-MCIONIFRSA-N 1 0 244.338 2.392 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1(C)C ZINC000553813340 388791496 /nfs/dbraw/zinc/79/14/96/388791496.db2.gz AJVAWDHTHRAOAV-YVECIDJPSA-N 1 0 249.358 2.079 20 30 BEEDRO N#Cc1ccccc1N1CC[NH+](CCCF)CC1 ZINC000125992736 388816270 /nfs/dbraw/zinc/81/62/70/388816270.db2.gz JXUQVFQLRDXPHX-UHFFFAOYSA-N 1 0 247.317 2.040 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](CCCCC#N)C1 ZINC000230265327 388822942 /nfs/dbraw/zinc/82/29/42/388822942.db2.gz ZKTUVGOVJOHVOU-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000335139573 388827222 /nfs/dbraw/zinc/82/72/22/388827222.db2.gz WDBXYNMEWZQVFQ-LBPRGKRZSA-N 1 0 242.322 2.028 20 30 BEEDRO C[C@@H](NC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000335007904 388827310 /nfs/dbraw/zinc/82/73/10/388827310.db2.gz AZAABBICWJFOAN-SNVBAGLBSA-N 1 0 247.317 2.100 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000129341575 388833819 /nfs/dbraw/zinc/83/38/19/388833819.db2.gz CGGGFPAGDAIMMD-SNVBAGLBSA-N 1 0 239.388 2.298 20 30 BEEDRO N#Cc1csc(CN2CCOCC23CCC3)c1 ZINC000093510642 388841847 /nfs/dbraw/zinc/84/18/47/388841847.db2.gz MLNFRDPGHJYPCJ-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](COCCOC)C1 ZINC000556226355 388871997 /nfs/dbraw/zinc/87/19/97/388871997.db2.gz FAPDSOUVWVQDKX-AWEZNQCLSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCSCC[NH2+]Cc1ncc(Cl)n1C ZINC000231941122 388845527 /nfs/dbraw/zinc/84/55/27/388845527.db2.gz ITRJTKGFFCFTQF-UHFFFAOYSA-N 1 0 245.779 2.082 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000129489990 388847662 /nfs/dbraw/zinc/84/76/62/388847662.db2.gz OLRGFOWPGGJTHF-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCOCC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000555376844 388849269 /nfs/dbraw/zinc/84/92/69/388849269.db2.gz BRMATMJHQHXQSX-GHMZBOCLSA-N 1 0 215.362 2.015 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)COCC)CC1 ZINC000153020406 388918500 /nfs/dbraw/zinc/91/85/00/388918500.db2.gz KGMUYYATISMYSO-ZDUSSCGKSA-N 1 0 240.391 2.042 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CC12CCSCC2 ZINC000565655143 388959875 /nfs/dbraw/zinc/95/98/75/388959875.db2.gz QZONZZSWFQXZKE-SNVBAGLBSA-N 1 0 210.346 2.023 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000565458118 388945461 /nfs/dbraw/zinc/94/54/61/388945461.db2.gz XBMCUOAVDGEOOI-UHFFFAOYSA-N 1 0 240.310 2.346 20 30 BEEDRO C=C(C)C[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000153530202 388981628 /nfs/dbraw/zinc/98/16/28/388981628.db2.gz JFVAZVYYDMCIOG-NSHDSACASA-N 1 0 232.318 2.224 20 30 BEEDRO C#CC[C@H]([NH2+]CCOCC)c1ccccc1 ZINC000271704829 389022893 /nfs/dbraw/zinc/02/28/93/389022893.db2.gz NFSWVVNVDXTYEL-AWEZNQCLSA-N 1 0 217.312 2.377 20 30 BEEDRO Cc1ncc([C@H](C)[NH2+]CCCC#N)c(C)n1 ZINC000273288828 389039784 /nfs/dbraw/zinc/03/97/84/389039784.db2.gz RXIJYVBMQHPNHI-VIFPVBQESA-N 1 0 218.304 2.048 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(CC)c1)C(C)(C)C ZINC000290178366 533266897 /nfs/dbraw/zinc/26/68/97/533266897.db2.gz NMAGBCWPYMMWHH-GFCCVEGCSA-N 1 0 219.332 2.041 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H]1CCC=CO1)C(C)(C)C ZINC000290245864 533267588 /nfs/dbraw/zinc/26/75/88/533267588.db2.gz VDCYIJOLSXMOMA-VXGBXAGGSA-N 1 0 207.317 2.317 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnccc1C)C(C)C ZINC000289677337 533266314 /nfs/dbraw/zinc/26/63/14/533266314.db2.gz ZLRFOJIBCVUGHK-CYBMUJFWSA-N 1 0 202.301 2.137 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000289560391 533297703 /nfs/dbraw/zinc/29/77/03/533297703.db2.gz RSLDCHSBZRQMNN-JTQLQIEISA-N 1 0 222.357 2.453 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000123060752 533298259 /nfs/dbraw/zinc/29/82/59/533298259.db2.gz FYUOTYAETDGPBT-NWDGAFQWSA-N 1 0 247.338 2.246 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)CCCO)cc1 ZINC000294721773 533341512 /nfs/dbraw/zinc/34/15/12/533341512.db2.gz FMAPITJMRNNMSD-ZDUSSCGKSA-N 1 0 231.339 2.166 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOC(C)C)cc1 ZINC000290468897 533342089 /nfs/dbraw/zinc/34/20/89/533342089.db2.gz UOBLGARKPYAUFI-UHFFFAOYSA-N 1 0 217.312 2.183 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](COC)C2CC2)cc1 ZINC000290429699 533342668 /nfs/dbraw/zinc/34/26/68/533342668.db2.gz RPWSWSVJSWESSY-OAHLLOKOSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000289357893 533343259 /nfs/dbraw/zinc/34/32/59/533343259.db2.gz YHZPNQBMALQUME-OAHLLOKOSA-N 1 0 231.339 2.165 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1 ZINC000181248865 533494441 /nfs/dbraw/zinc/49/44/41/533494441.db2.gz ZZBSVKRXQLMXQN-CYBMUJFWSA-N 1 0 246.354 2.372 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H]1CC ZINC000341175216 533500320 /nfs/dbraw/zinc/50/03/20/533500320.db2.gz ZEWAHDPCVJIQCJ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC(=O)Nc1cccnc1 ZINC000361692896 533504366 /nfs/dbraw/zinc/50/43/66/533504366.db2.gz OSYWILCXDYSTRA-UHFFFAOYSA-N 1 0 247.342 2.308 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@H]1C1CC1 ZINC000263159302 533510656 /nfs/dbraw/zinc/51/06/56/533510656.db2.gz QLIMIHIZRSBPNF-STQMWFEESA-N 1 0 235.375 2.293 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374902118 533513703 /nfs/dbraw/zinc/51/37/03/533513703.db2.gz ZDQSMUSZKZJHBF-CQSZACIVSA-N 1 0 235.302 2.295 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000070175178 132230248 /nfs/dbraw/zinc/23/02/48/132230248.db2.gz JGFVRBRCGORIDL-PWSUYJOCSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000070175176 132230253 /nfs/dbraw/zinc/23/02/53/132230253.db2.gz JGFVRBRCGORIDL-ZYHUDNBSSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1[NH3+] ZINC000094342693 132238899 /nfs/dbraw/zinc/23/88/99/132238899.db2.gz YAMGJEGUUNNRQC-CABZTGNLSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@@H]1[NH3+] ZINC000094342692 132238918 /nfs/dbraw/zinc/23/89/18/132238918.db2.gz YAMGJEGUUNNRQC-SKDRFNHKSA-N 1 0 249.745 2.385 20 30 BEEDRO N#Cc1ccc(N2CCC[C@H]([NH3+])C2)cc1Cl ZINC000061847003 132239460 /nfs/dbraw/zinc/23/94/60/132239460.db2.gz VYWZUGTWVNKKDR-JTQLQIEISA-N 1 0 235.718 2.139 20 30 BEEDRO C[NH2+]CC1CCN(c2ccc(C#N)cc2F)CC1 ZINC000063166345 132241638 /nfs/dbraw/zinc/24/16/38/132241638.db2.gz DCPKGNADUNZYBT-UHFFFAOYSA-N 1 0 247.317 2.133 20 30 BEEDRO C[C@@H]([NH3+])C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110651534 132267763 /nfs/dbraw/zinc/26/77/63/132267763.db2.gz CNULOSXJZREMTD-SNVBAGLBSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@H]([NH3+])C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111027631 132268268 /nfs/dbraw/zinc/26/82/68/132268268.db2.gz VYDZLGZPVBZIBT-JTQLQIEISA-N 1 0 247.317 2.261 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000091393761 132428897 /nfs/dbraw/zinc/42/88/97/132428897.db2.gz IIHACSBDVNGLGA-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1C ZINC000186697515 133442739 /nfs/dbraw/zinc/44/27/39/133442739.db2.gz KSKUHVZUOUVVKO-DZGCQCFKSA-N 1 0 233.355 2.453 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000186695305 133443316 /nfs/dbraw/zinc/44/33/16/133443316.db2.gz PGYWDZJFCZPCSD-TZMCWYRMSA-N 1 0 249.354 2.153 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCC12CCC2 ZINC000308942862 133452053 /nfs/dbraw/zinc/45/20/53/133452053.db2.gz QZIKRNUQGUKEJC-NEPJUHHUSA-N 1 0 209.333 2.093 20 30 BEEDRO CCCCOCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309141736 133462617 /nfs/dbraw/zinc/46/26/17/133462617.db2.gz HIRRCLBQPFXNMC-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO COCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334365416 133625748 /nfs/dbraw/zinc/62/57/48/133625748.db2.gz ODEKOPHDOVMBNA-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000073843387 133649093 /nfs/dbraw/zinc/64/90/93/133649093.db2.gz VJRIAIMVUVCXBQ-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343551972 133691693 /nfs/dbraw/zinc/69/16/93/133691693.db2.gz OGYSYQLZIOHHGS-IUODEOHRSA-N 1 0 244.338 2.115 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000331529666 134000360 /nfs/dbraw/zinc/00/03/60/134000360.db2.gz QTPCBTKUXRQXFW-RTXFEEFZSA-N 1 0 242.322 2.141 20 30 BEEDRO N#CC1(C[NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000332171821 134004406 /nfs/dbraw/zinc/00/44/06/134004406.db2.gz UILKUQAOHXPUHV-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)CC[N@@H+](CC(=O)OCC)C1CCC1 ZINC000351993645 134032703 /nfs/dbraw/zinc/03/27/03/134032703.db2.gz KCHIXRABAVZONH-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@](O)(C(F)(F)F)C1 ZINC000352024120 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CC#CC[N@H+](C)CCN(C)c1ccccc1 ZINC000119434763 134226412 /nfs/dbraw/zinc/22/64/12/134226412.db2.gz DHHZEGODZAPQMM-UHFFFAOYSA-N 1 0 216.328 2.078 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000371448186 134228680 /nfs/dbraw/zinc/22/86/80/134228680.db2.gz QPPATVCWXUBNQY-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO CSCC[N@H+](C)CCC(C)(C)C#N ZINC000120414062 134229341 /nfs/dbraw/zinc/22/93/41/134229341.db2.gz NYYZYHQUEIMWIM-UHFFFAOYSA-N 1 0 200.351 2.221 20 30 BEEDRO CC#CC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000120827549 134230316 /nfs/dbraw/zinc/23/03/16/134230316.db2.gz IDEYRJXGYGSRHI-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCCOCC[NH2+]C1CCSCC1 ZINC000120866411 134230648 /nfs/dbraw/zinc/23/06/48/134230648.db2.gz PDFFJFITKZDSOT-UHFFFAOYSA-N 1 0 215.362 2.064 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991643 134233265 /nfs/dbraw/zinc/23/32/65/134233265.db2.gz SYGDLMIJEUGTFQ-LLVKDONJSA-N 1 0 216.756 2.155 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC12CCC2 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COc1ccc(C[NH2+]CCCCC#N)cc1O ZINC000237238217 135070129 /nfs/dbraw/zinc/07/01/29/135070129.db2.gz DFGNQRAKGUITEF-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000237817371 135072925 /nfs/dbraw/zinc/07/29/25/135072925.db2.gz ACVHHLOEDUIEOQ-UHFFFAOYSA-N 1 0 230.311 2.405 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)[C@@H]1C ZINC000339576713 135075752 /nfs/dbraw/zinc/07/57/52/135075752.db2.gz LXPUNWQDFWYXHL-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366419053 135076027 /nfs/dbraw/zinc/07/60/27/135076027.db2.gz MZZKCYCFGNMMLF-ITGUQSILSA-N 1 0 211.349 2.127 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)[C@H](C)CO ZINC000339627787 135076874 /nfs/dbraw/zinc/07/68/74/135076874.db2.gz BCIWCAXURPUBKY-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000339678585 135078066 /nfs/dbraw/zinc/07/80/66/135078066.db2.gz IBAWVDUYTPQHEY-GFCCVEGCSA-N 1 0 204.317 2.412 20 30 BEEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)C1(CO)CCC1 ZINC000339731315 135078379 /nfs/dbraw/zinc/07/83/79/135078379.db2.gz NKEROJRKSUZXBG-GFCCVEGCSA-N 1 0 236.359 2.067 20 30 BEEDRO CO[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000251860019 135080074 /nfs/dbraw/zinc/08/00/74/135080074.db2.gz OCTLGJWVBZAPFY-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO CC#CC[N@@H+](C)CCCCCC(=O)OCC ZINC000339751293 135080537 /nfs/dbraw/zinc/08/05/37/135080537.db2.gz RHDLCFQBLGUFFQ-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000252663290 135094409 /nfs/dbraw/zinc/09/44/09/135094409.db2.gz SMAYSIJPHIUMRF-IHRRRGAJSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000252811138 135111732 /nfs/dbraw/zinc/11/17/32/135111732.db2.gz OCFQGWWBSVBXCM-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1cc(C[NH+]=C(N(C)C)N(C)C)ccc1F ZINC000262244254 135117055 /nfs/dbraw/zinc/11/70/55/135117055.db2.gz IAZCCANJSABBOY-UHFFFAOYSA-N 1 0 237.322 2.113 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCCC[C@H]1O ZINC000252939004 135117340 /nfs/dbraw/zinc/11/73/40/135117340.db2.gz YXDDMBVMKCTKAV-HZPDHXFCSA-N 1 0 243.350 2.273 20 30 BEEDRO C[C@@H]1Oc2ccccc2[C@H]1NC(=[NH2+])NC(C)(C)C ZINC000262325201 135117479 /nfs/dbraw/zinc/11/74/79/135117479.db2.gz WVLFIUSFUKBKJE-CABZTGNLSA-N 1 0 247.342 2.211 20 30 BEEDRO C[C@@H]1Oc2ccccc2[C@@H]1NC(=[NH2+])NC(C)(C)C ZINC000262325202 135117570 /nfs/dbraw/zinc/11/75/70/135117570.db2.gz WVLFIUSFUKBKJE-JOYOIKCWSA-N 1 0 247.342 2.211 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1c2ccccc2O[C@H]1C ZINC000262292135 135118066 /nfs/dbraw/zinc/11/80/66/135118066.db2.gz NVXJLKXSMJQSKX-KWBADKCTSA-N 1 0 247.342 2.211 20 30 BEEDRO C[NH+]=C(NC(C)C)N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000262426030 135118829 /nfs/dbraw/zinc/11/88/29/135118829.db2.gz RPYVFISHYXCCGX-KBPBESRZSA-N 1 0 245.370 2.191 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@@H]1Cc1ccccc1)N(C)C ZINC000262503865 135118914 /nfs/dbraw/zinc/11/89/14/135118914.db2.gz ATIJYWDSXWWHFH-UONOGXRCSA-N 1 0 245.370 2.097 20 30 BEEDRO [NH2+]=C(Nc1ccc2c(c1)CCC2)NC1CCC1 ZINC000262542851 135119619 /nfs/dbraw/zinc/11/96/19/135119619.db2.gz SUWREFDPVHZWFT-UHFFFAOYSA-N 1 0 229.327 2.454 20 30 BEEDRO CN1CC[NH+]=C1NC[C@H](c1ccccc1)C1CC1 ZINC000262629396 135119838 /nfs/dbraw/zinc/11/98/38/135119838.db2.gz DFZNCZUEPUDJAL-CQSZACIVSA-N 1 0 243.354 2.071 20 30 BEEDRO C[NH+]=C(N[C@@H]1C[C@@H]1C)N(C)Cc1cccc(F)c1 ZINC000262567079 135119892 /nfs/dbraw/zinc/11/98/92/135119892.db2.gz LXXPIJYHHBLBFL-GXFFZTMASA-N 1 0 249.333 2.241 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253090052 135120404 /nfs/dbraw/zinc/12/04/04/135120404.db2.gz HPGGBWFOTQHJII-JHJVBQTASA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@H](CNC1=[NH+]CCN1C)Sc1ccccc1 ZINC000262671007 135120917 /nfs/dbraw/zinc/12/09/17/135120917.db2.gz QZSDBFZJERVQJQ-LLVKDONJSA-N 1 0 249.383 2.058 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253099102 135120995 /nfs/dbraw/zinc/12/09/95/135120995.db2.gz UNARQJJREUOCPU-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000253091923 135121493 /nfs/dbraw/zinc/12/14/93/135121493.db2.gz KDUVFHYQTGKCRI-QWHCGFSZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000262818762 135122905 /nfs/dbraw/zinc/12/29/05/135122905.db2.gz PFHWEINHMHOMMB-NWDGAFQWSA-N 1 0 249.745 2.286 20 30 BEEDRO C[C@@H]1CCN(c2ccc(C#N)cc2F)C[C@H]1C[NH3+] ZINC000253190105 135124112 /nfs/dbraw/zinc/12/41/12/135124112.db2.gz KPYFIJDYDFDNNZ-ZYHUDNBSSA-N 1 0 247.317 2.118 20 30 BEEDRO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCc2ccccc2C1 ZINC000263269469 135126243 /nfs/dbraw/zinc/12/62/43/135126243.db2.gz WHYRCFNGQKRBFM-SMDDNHRTSA-N 1 0 243.354 2.029 20 30 BEEDRO CNC(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000263945105 135129644 /nfs/dbraw/zinc/12/96/44/135129644.db2.gz DYPUYVCSHVPILK-UHFFFAOYSA-N 1 0 231.343 2.033 20 30 BEEDRO CCOc1cccc(CNC(=[NH2+])N[C@H](C)CC)c1 ZINC000264063518 135131161 /nfs/dbraw/zinc/13/11/61/135131161.db2.gz AHJDWPPLTWVESX-LLVKDONJSA-N 1 0 249.358 2.288 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccc(Cl)cc1Cl ZINC000264075128 135131696 /nfs/dbraw/zinc/13/16/96/135131696.db2.gz GZOIZKSSHSMTNH-UHFFFAOYSA-N 1 0 246.141 2.370 20 30 BEEDRO C[C@@H](CCNC(=[NH2+])N(C)C)c1ccccc1 ZINC000264073001 135131747 /nfs/dbraw/zinc/13/17/47/135131747.db2.gz DRFSIGTZOZVAIF-NSHDSACASA-N 1 0 219.332 2.057 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NCC(C)C)cc(C)c1O ZINC000264078226 135131935 /nfs/dbraw/zinc/13/19/35/135131935.db2.gz GLIVONADLZSMHZ-UHFFFAOYSA-N 1 0 249.358 2.069 20 30 BEEDRO CCOCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264106073 135132940 /nfs/dbraw/zinc/13/29/40/135132940.db2.gz NUFASRZXMFQAMF-UHFFFAOYSA-N 1 0 235.331 2.067 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)cc1C ZINC000258939924 135136210 /nfs/dbraw/zinc/13/62/10/135136210.db2.gz QBVFVWGWCXJUGY-UHFFFAOYSA-N 1 0 218.300 2.397 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCCCCC#N)cc1 ZINC000264243337 135137216 /nfs/dbraw/zinc/13/72/16/135137216.db2.gz FKQINPSNLXRPNR-UHFFFAOYSA-N 1 0 246.314 2.116 20 30 BEEDRO N#C[C@H]1CC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC000259795701 135144477 /nfs/dbraw/zinc/14/44/77/135144477.db2.gz UIKRZQOEBMWJAS-ZFWWWQNUSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@@H]1C[C@H](C[NH+]2CCC(CC#N)CC2)CCO1 ZINC000260172208 135147458 /nfs/dbraw/zinc/14/74/58/135147458.db2.gz TYZPTGXMEHJCQA-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccc(O)c1OC ZINC000353161006 135148489 /nfs/dbraw/zinc/14/84/89/135148489.db2.gz ASUHPDHLNRDZQF-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCCC2)cc1F ZINC000260862434 135149094 /nfs/dbraw/zinc/14/90/94/135149094.db2.gz WHRCHZOQFSDFLQ-UHFFFAOYSA-N 1 0 204.248 2.293 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CC[C@H](c2ccccc2)C1 ZINC000267160226 135151681 /nfs/dbraw/zinc/15/16/81/135151681.db2.gz QWMHFIUQYKWWJY-BSZDNMLHSA-N 1 0 245.370 2.413 20 30 BEEDRO CCNC(=[NH2+])NCC[C@H](C)c1ccc(OC)cc1 ZINC000267100527 135151686 /nfs/dbraw/zinc/15/16/86/135151686.db2.gz OGLXUTPERHOZPW-NSHDSACASA-N 1 0 249.358 2.113 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1cccn1C ZINC000267383694 135153177 /nfs/dbraw/zinc/15/31/77/135153177.db2.gz BDLLEBXYNFMARM-UHFFFAOYSA-N 1 0 236.363 2.010 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000267376898 135153619 /nfs/dbraw/zinc/15/36/19/135153619.db2.gz ADNYIUIYBUTJEV-GFCCVEGCSA-N 1 0 233.359 2.413 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268214904 135158205 /nfs/dbraw/zinc/15/82/05/135158205.db2.gz BDYBUOYLBJKAHK-OLZOCXBDSA-N 1 0 248.326 2.471 20 30 BEEDRO CCNC(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000268166856 135158537 /nfs/dbraw/zinc/15/85/37/135158537.db2.gz KGHRAKXDAWZESM-UHFFFAOYSA-N 1 0 245.370 2.324 20 30 BEEDRO C[C@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608480 135158868 /nfs/dbraw/zinc/15/88/68/135158868.db2.gz VPVXPSVTBHSBKL-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000353314227 135158905 /nfs/dbraw/zinc/15/89/05/135158905.db2.gz OKZLMJMPLJOYEB-LBPRGKRZSA-N 1 0 232.327 2.219 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000087595539 135159815 /nfs/dbraw/zinc/15/98/15/135159815.db2.gz QRZKHHDXWRYMID-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@H]1CC[C@@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261531690 135161237 /nfs/dbraw/zinc/16/12/37/135161237.db2.gz HMNNOSYUEPTEOY-ONGXEEELSA-N 1 0 209.337 2.022 20 30 BEEDRO C[C@H]1CC[C@@H]1NC(=[NH2+])Nc1ccccc1 ZINC000261533211 135163927 /nfs/dbraw/zinc/16/39/27/135163927.db2.gz KLQZFZANRKVHSL-ONGXEEELSA-N 1 0 203.289 2.212 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCC1=CCCC1 ZINC000269934842 135168153 /nfs/dbraw/zinc/16/81/53/135168153.db2.gz BXZGQKLJCPXEIF-SNVBAGLBSA-N 1 0 209.337 2.190 20 30 BEEDRO C=CCN(CC[NH3+])Cc1ccc(Cl)s1 ZINC000261536025 135171724 /nfs/dbraw/zinc/17/17/24/135171724.db2.gz QCRVAYRRUXTZGF-UHFFFAOYSA-N 1 0 230.764 2.348 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](C)Nc1cc(Cl)ccc1C#N ZINC000261537360 135173959 /nfs/dbraw/zinc/17/39/59/135173959.db2.gz VJXWQNOBZFVHOX-HTQZYQBOSA-N 1 0 223.707 2.359 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000293560709 135180746 /nfs/dbraw/zinc/18/07/46/135180746.db2.gz MEOAIJCNUDBFAJ-UHFFFAOYSA-N 1 0 246.310 2.299 20 30 BEEDRO C#CC[C@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293766838 135183890 /nfs/dbraw/zinc/18/38/90/135183890.db2.gz KOCUJADPCKBSEJ-HNNXBMFYSA-N 1 0 242.322 2.271 20 30 BEEDRO Cn1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000295025664 135188068 /nfs/dbraw/zinc/18/80/68/135188068.db2.gz LBPJQXPYWGPYFI-AAEUAGOBSA-N 1 0 217.316 2.197 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2ccncc2C)CC1 ZINC000294955553 135188513 /nfs/dbraw/zinc/18/85/13/135188513.db2.gz FRIAZYXSBJKITI-UHFFFAOYSA-N 1 0 245.370 2.130 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295971938 135190884 /nfs/dbraw/zinc/19/08/84/135190884.db2.gz NOWGPJLHLAELHS-AWEZNQCLSA-N 1 0 214.312 2.284 20 30 BEEDRO N#Cc1ccc(N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000084212690 135192074 /nfs/dbraw/zinc/19/20/74/135192074.db2.gz WKXBACSTEBKFFL-YPMHNXCESA-N 1 0 215.300 2.098 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000298392042 135198758 /nfs/dbraw/zinc/19/87/58/135198758.db2.gz OGXRSUWKVKSKIB-ZFWWWQNUSA-N 1 0 246.354 2.214 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000298732106 135200399 /nfs/dbraw/zinc/20/03/99/135200399.db2.gz VHVHRZXGQKEFEY-NEPJUHHUSA-N 1 0 232.331 2.281 20 30 BEEDRO C[C@H]1[C@@H]([NH3+])CCN1c1cc(Cl)ccc1C#N ZINC000261563411 135205114 /nfs/dbraw/zinc/20/51/14/135205114.db2.gz BVAKYKWIOZWPCB-KWQFWETISA-N 1 0 235.718 2.138 20 30 BEEDRO C=CCN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000261562933 135205138 /nfs/dbraw/zinc/20/51/38/135205138.db2.gz WSKQOWKAJFMTEE-DGCLKSJQSA-N 1 0 236.359 2.071 20 30 BEEDRO C[C@@H]1[C@@H]([NH3+])CCN1c1cc(Cl)ccc1C#N ZINC000261563408 135205157 /nfs/dbraw/zinc/20/51/57/135205157.db2.gz BVAKYKWIOZWPCB-KCJUWKMLSA-N 1 0 235.718 2.138 20 30 BEEDRO C=CCN(C(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000261562932 135205411 /nfs/dbraw/zinc/20/54/11/135205411.db2.gz WSKQOWKAJFMTEE-AAEUAGOBSA-N 1 0 236.359 2.071 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000163849439 135207471 /nfs/dbraw/zinc/20/74/71/135207471.db2.gz ZEDXUTCPDBGPFT-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H](CC)COC)cc1 ZINC000120197020 135219038 /nfs/dbraw/zinc/21/90/38/135219038.db2.gz SNQXJFVHMFSWJV-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](C)CCOc1ccccc1 ZINC000121061516 135220605 /nfs/dbraw/zinc/22/06/05/135220605.db2.gz TXGRLWTYZHHHNU-CQSZACIVSA-N 1 0 249.354 2.324 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000121240078 135222738 /nfs/dbraw/zinc/22/27/38/135222738.db2.gz COTUCZNDZGHNAI-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C#CC[N@H+]1CC[C@@H](Cc2ccc(F)cc2)C1 ZINC000121289198 135222902 /nfs/dbraw/zinc/22/29/02/135222902.db2.gz BPMUACBUMZBJRG-ZDUSSCGKSA-N 1 0 217.287 2.323 20 30 BEEDRO C=CC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000121504760 135223392 /nfs/dbraw/zinc/22/33/92/135223392.db2.gz VXIHNAPUPJHBKJ-UHFFFAOYSA-N 1 0 243.310 2.397 20 30 BEEDRO CC#CC[N@@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000121920155 135226377 /nfs/dbraw/zinc/22/63/77/135226377.db2.gz CHHNTSSHGTZHDH-NEPJUHHUSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000340893660 135231389 /nfs/dbraw/zinc/23/13/89/135231389.db2.gz HGLMUAORMLOGON-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C/C=C\c1ccccc1 ZINC000341288245 135236179 /nfs/dbraw/zinc/23/61/79/135236179.db2.gz ZXJBZRCYHMHLGS-IZIDJEDMSA-N 1 0 231.339 2.474 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000341385042 135237461 /nfs/dbraw/zinc/23/74/61/135237461.db2.gz RZZJTHHGBGZJQR-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C[NH+](CC#CC[N@@H+](C)CC1CCC1)CC1CCC1 ZINC000341880039 135244192 /nfs/dbraw/zinc/24/41/92/135244192.db2.gz ZDQFZZKCKVXONO-UHFFFAOYSA-N 1 0 248.414 2.454 20 30 BEEDRO CC(C)CNC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261671319 135245134 /nfs/dbraw/zinc/24/51/34/135245134.db2.gz CBOPNVNVKDHLAH-UHFFFAOYSA-N 1 0 223.364 2.127 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@H]2CCCO[C@@H]21 ZINC000366756842 135246303 /nfs/dbraw/zinc/24/63/03/135246303.db2.gz LTRXSTJYDVFYQZ-UPJWGTAASA-N 1 0 248.370 2.473 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCCO[C@H]21 ZINC000366756846 135246337 /nfs/dbraw/zinc/24/63/37/135246337.db2.gz LTRXSTJYDVFYQZ-YNEHKIRRSA-N 1 0 248.370 2.473 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@@H]2CCCO[C@@H]21 ZINC000366756844 135246383 /nfs/dbraw/zinc/24/63/83/135246383.db2.gz LTRXSTJYDVFYQZ-XQQFMLRXSA-N 1 0 248.370 2.473 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000261715285 135247383 /nfs/dbraw/zinc/24/73/83/135247383.db2.gz HTEGKDVXWLLPIL-VZHUHSAUSA-N 1 0 245.370 2.197 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261733899 135248473 /nfs/dbraw/zinc/24/84/73/135248473.db2.gz JTSFXGUYFPTUQN-ZBOXLXRLSA-N 1 0 223.364 2.270 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342148102 135250702 /nfs/dbraw/zinc/25/07/02/135250702.db2.gz GSXZCISVYMSZSC-DZGCQCFKSA-N 1 0 249.354 2.065 20 30 BEEDRO [NH2+]=C(NCC12CCC(CC1)C2)NC1CCCC1 ZINC000261820017 135255132 /nfs/dbraw/zinc/25/51/32/135255132.db2.gz UKBINJQVSBUARX-UHFFFAOYSA-N 1 0 235.375 2.414 20 30 BEEDRO C=CCOc1cccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)c1 ZINC000262032249 135274756 /nfs/dbraw/zinc/27/47/56/135274756.db2.gz OEBXBNBZNMHLJT-DOMZBBRYSA-N 1 0 246.354 2.030 20 30 BEEDRO Cc1ccccc1[C@H]1C[C@H](NC(=[NH2+])N(C)C)C1 ZINC000262079479 135278067 /nfs/dbraw/zinc/27/80/67/135278067.db2.gz FAUCGSNQNKSORO-HAQNSBGRSA-N 1 0 231.343 2.117 20 30 BEEDRO Cc1ccnc(CNC(=[NH2+])NC2CCCCC2)c1 ZINC000262159874 135282756 /nfs/dbraw/zinc/28/27/56/135282756.db2.gz GTEKSPMQMHFALJ-UHFFFAOYSA-N 1 0 246.358 2.127 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262200107 135289964 /nfs/dbraw/zinc/28/99/64/135289964.db2.gz KHULEOLGRMOPPA-AWEZNQCLSA-N 1 0 234.318 2.348 20 30 BEEDRO Cc1ccsc1CC[NH+]=C(N(C)C)N(C)C ZINC000262306932 135292292 /nfs/dbraw/zinc/29/22/92/135292292.db2.gz CHOBSMXKCZDPAF-UHFFFAOYSA-N 1 0 239.388 2.078 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000262330117 135293227 /nfs/dbraw/zinc/29/32/27/135293227.db2.gz FEKOVMXUWHQDLK-SRVKXCTJSA-N 1 0 223.364 2.149 20 30 BEEDRO CN(C)C(=[NH+]CC1(C)CCCCC1)N(C)C ZINC000262353941 135294632 /nfs/dbraw/zinc/29/46/32/135294632.db2.gz ZHEUDVNYNCEOMW-UHFFFAOYSA-N 1 0 225.380 2.436 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2C2CC2)c1 ZINC000262430713 135297156 /nfs/dbraw/zinc/29/71/56/135297156.db2.gz MIONKAVDKFDYHE-QWHCGFSZSA-N 1 0 245.326 2.220 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CC[C@H](CC(C)C)C1 ZINC000262455487 135300092 /nfs/dbraw/zinc/30/00/92/135300092.db2.gz KXDGEGLSVWBBNW-VEOJIXDASA-N 1 0 225.380 2.292 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCC(F)(F)C1)NC1CCCC1 ZINC000262479016 135301556 /nfs/dbraw/zinc/30/15/56/135301556.db2.gz VLJZFAMQYBZGGL-VIFPVBQESA-N 1 0 245.317 2.269 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2CC2(C)C)C1 ZINC000262530838 135303847 /nfs/dbraw/zinc/30/38/47/135303847.db2.gz NJTGVBZKDLZQNS-MNOVXSKESA-N 1 0 223.364 2.079 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262611338 135308723 /nfs/dbraw/zinc/30/87/23/135308723.db2.gz BBXWCIZXMYHQOX-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@H]1C[C@H]1C1CCCCC1 ZINC000262652801 135310919 /nfs/dbraw/zinc/31/09/19/135310919.db2.gz JUAZMSDAQREKKP-RYUDHWBXSA-N 1 0 221.348 2.022 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC[C@@H]2CCCC[C@@H]2C)N1 ZINC000262654914 135311621 /nfs/dbraw/zinc/31/16/21/135311621.db2.gz LHSFBUNZBGPURZ-TUAOUCFPSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccccc1F ZINC000342725960 135315405 /nfs/dbraw/zinc/31/54/05/135315405.db2.gz SYIQTAMUGLOAFN-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(C(=O)NC)c1 ZINC000342731701 135316860 /nfs/dbraw/zinc/31/68/60/135316860.db2.gz MEDOLANNUCZOFP-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000342733678 135316900 /nfs/dbraw/zinc/31/69/00/135316900.db2.gz NLQQKYQJSCSZQK-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCCC(F)(F)C1)NC1CCC1 ZINC000263025697 135327667 /nfs/dbraw/zinc/32/76/67/135327667.db2.gz AOAIYDRTIIBHJE-VIFPVBQESA-N 1 0 245.317 2.269 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+][C@@H]1CC12CC2 ZINC000263024804 135327743 /nfs/dbraw/zinc/32/77/43/135327743.db2.gz FVCUMGLHDDJEQZ-CYBMUJFWSA-N 1 0 243.354 2.246 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCCCC1(F)F)NC1CCC1 ZINC000263044785 135328890 /nfs/dbraw/zinc/32/88/90/135328890.db2.gz CUJZDUGNRLDUAT-VIFPVBQESA-N 1 0 245.317 2.269 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCCCC(F)(F)C1)N1CCC1 ZINC000263058352 135329529 /nfs/dbraw/zinc/32/95/29/135329529.db2.gz FGGWRKAOCMHRSL-JTQLQIEISA-N 1 0 245.317 2.222 20 30 BEEDRO CC(C)C(C)(C)CNC(=[NH2+])NC1CCC1 ZINC000263052857 135329823 /nfs/dbraw/zinc/32/98/23/135329823.db2.gz DOXIXFHDZUVVMM-UHFFFAOYSA-N 1 0 211.353 2.125 20 30 BEEDRO [NH2+]=C(NCc1ccc(C(F)F)cc1)N1CCC1 ZINC000263055076 135329892 /nfs/dbraw/zinc/32/98/92/135329892.db2.gz DVFYRAKBLSHISS-UHFFFAOYSA-N 1 0 239.269 2.145 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CCC[C@@H]1C1CC1)N(C)C ZINC000263065550 135330417 /nfs/dbraw/zinc/33/04/17/135330417.db2.gz GEALWOILBAQGJG-QWHCGFSZSA-N 1 0 237.391 2.292 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CCC[C@H]1C1CC1 ZINC000263081051 135331196 /nfs/dbraw/zinc/33/11/96/135331196.db2.gz HQNDGILHTVZVJG-STQMWFEESA-N 1 0 237.391 2.373 20 30 BEEDRO C[C@@H]1CCC[C@H](CNC2=[NH+]CCCN2C)[C@H]1C ZINC000263075550 135331502 /nfs/dbraw/zinc/33/15/02/135331502.db2.gz HDQHHNVZQMZTFV-FRRDWIJNSA-N 1 0 237.391 2.340 20 30 BEEDRO CC(C)c1cccc(NC(=[NH2+])N[C@H]2C[C@@H](O)C2)c1 ZINC000263111081 135333367 /nfs/dbraw/zinc/33/33/67/135333367.db2.gz LAQCZPFADOWCMT-BETUJISGSA-N 1 0 247.342 2.060 20 30 BEEDRO CN1CC[NH+]=C1NCc1cc(C2CC2)ccc1F ZINC000263112354 135333684 /nfs/dbraw/zinc/33/36/84/135333684.db2.gz LCZOSCFMKNECLN-UHFFFAOYSA-N 1 0 247.317 2.094 20 30 BEEDRO [NH2+]=C(NC[C@@H](c1ccccc1)C1CC1)N1CCC1 ZINC000263119645 135333923 /nfs/dbraw/zinc/33/39/23/135333923.db2.gz LWDPELZDECIECM-AWEZNQCLSA-N 1 0 243.354 2.201 20 30 BEEDRO [NH2+]=C(N[C@@H]1CC12CC2)NC1CCCCCC1 ZINC000263115244 135334075 /nfs/dbraw/zinc/33/40/75/135334075.db2.gz ZNLNOIWZFKUEGY-LLVKDONJSA-N 1 0 221.348 2.166 20 30 BEEDRO CC1(C)CCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000263129485 135335201 /nfs/dbraw/zinc/33/52/01/135335201.db2.gz MWVFDLZHLBFPJB-JTQLQIEISA-N 1 0 223.364 2.270 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CCCCC1(F)F)N(C)C ZINC000263148460 135335563 /nfs/dbraw/zinc/33/55/63/135335563.db2.gz PEIQBVAAXBHDRI-JTQLQIEISA-N 1 0 247.333 2.291 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H]1C1CC1 ZINC000263159299 135336173 /nfs/dbraw/zinc/33/61/73/135336173.db2.gz QLIMIHIZRSBPNF-CHWSQXEVSA-N 1 0 235.375 2.293 20 30 BEEDRO CC(C)[C@@]1(C)C[C@@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263172635 135337135 /nfs/dbraw/zinc/33/71/35/135337135.db2.gz SGRLPQLZUYPFLH-MBNYWOFBSA-N 1 0 237.391 2.468 20 30 BEEDRO CC(C)SCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263177820 135338006 /nfs/dbraw/zinc/33/80/06/135338006.db2.gz UNTCVLVZDWACDS-LLVKDONJSA-N 1 0 243.420 2.175 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2CC23CCCC3)C1 ZINC000263271141 135343395 /nfs/dbraw/zinc/34/33/95/135343395.db2.gz PBKNCDSTSFDTMZ-NEPJUHHUSA-N 1 0 235.375 2.366 20 30 BEEDRO [NH2+]=C(NCC1CCC1)N[C@H]1CC12CCCC2 ZINC000263282815 135344142 /nfs/dbraw/zinc/34/41/42/135344142.db2.gz SNJFINSRDBUVHQ-NSHDSACASA-N 1 0 221.348 2.024 20 30 BEEDRO CNC(NCc1ccc(C(F)(F)F)cc1)=[NH+]C ZINC000263981469 135362070 /nfs/dbraw/zinc/36/20/70/135362070.db2.gz RDWFTUFUQVIIRO-UHFFFAOYSA-N 1 0 245.248 2.000 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000334342583 135364714 /nfs/dbraw/zinc/36/47/14/135364714.db2.gz KUIJXLOBUYNDJR-UHFFFAOYSA-N 1 0 205.305 2.165 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000273100090 135365666 /nfs/dbraw/zinc/36/56/66/135365666.db2.gz VNCYHIIDHMKGGR-UHFFFAOYSA-N 1 0 210.227 2.358 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000274608059 135367193 /nfs/dbraw/zinc/36/71/93/135367193.db2.gz JNKXYDACPDYGBR-SRVKXCTJSA-N 1 0 215.300 2.424 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)nn1C ZINC000284102497 135372180 /nfs/dbraw/zinc/37/21/80/135372180.db2.gz BVMKHVCWDFLGRH-JTQLQIEISA-N 1 0 207.321 2.173 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293755617 135376732 /nfs/dbraw/zinc/37/67/32/135376732.db2.gz JJQJXBLAPIGWIK-LBPRGKRZSA-N 1 0 218.300 2.267 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000293853177 135377553 /nfs/dbraw/zinc/37/75/53/135377553.db2.gz CUBZQRWUDNXPCQ-MNOVXSKESA-N 1 0 237.372 2.398 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294069293 135377898 /nfs/dbraw/zinc/37/78/98/135377898.db2.gz KSJHKWASYRJOGM-HBNTYKKESA-N 1 0 205.305 2.443 20 30 BEEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(C)o1 ZINC000295087249 135378663 /nfs/dbraw/zinc/37/86/63/135378663.db2.gz UNDXUOKTUIVXLS-ZDUSSCGKSA-N 1 0 234.343 2.194 20 30 BEEDRO CO[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1C ZINC000299920570 135382520 /nfs/dbraw/zinc/38/25/20/135382520.db2.gz OHJYWFSXPGXXGW-VXGBXAGGSA-N 1 0 224.348 2.283 20 30 BEEDRO CCOC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000081520191 135387165 /nfs/dbraw/zinc/38/71/65/135387165.db2.gz QUNHYHOPFKPKMC-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO CC[C@H](CCO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164574078 135405303 /nfs/dbraw/zinc/40/53/03/135405303.db2.gz QZWITFFSAUUTTF-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@]1([NH2+]Cc2ccc(C#N)c(F)c2)CCCOC1 ZINC000334981728 135406400 /nfs/dbraw/zinc/40/64/00/135406400.db2.gz IEHVJGIOXSBXMG-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000343720412 135455043 /nfs/dbraw/zinc/45/50/43/135455043.db2.gz PUSYLUMSRKOHEI-FZMZJTMJSA-N 1 0 244.338 2.127 20 30 BEEDRO C=Cn1cc(C[NH2+]C[C@H]2CCO[C@@H]2C(=C)C)cn1 ZINC000280645874 135497772 /nfs/dbraw/zinc/49/77/72/135497772.db2.gz NRZAUQHYGUSBLB-ZIAGYGMSSA-N 1 0 247.342 2.054 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000352893871 135505492 /nfs/dbraw/zinc/50/54/92/135505492.db2.gz QHBUVYHGZJSSMB-HNNXBMFYSA-N 1 0 246.354 2.249 20 30 BEEDRO N#Cc1cc(Cl)ccc1NC[C@@H]1CC[NH2+]C1 ZINC000087655391 135510182 /nfs/dbraw/zinc/51/01/82/135510182.db2.gz VPUYWQIUKAUDKM-SECBINFHSA-N 1 0 235.718 2.233 20 30 BEEDRO N#Cc1ccc(NC[C@@H]2CC[NH2+]C2)cc1Cl ZINC000087655269 135510611 /nfs/dbraw/zinc/51/06/11/135510611.db2.gz MCQKQUYUDJNIAU-SECBINFHSA-N 1 0 235.718 2.233 20 30 BEEDRO COC(C)(C)CC[NH+]1CCC(C#N)CC1 ZINC000230413934 135535656 /nfs/dbraw/zinc/53/56/56/135535656.db2.gz RZKQSXALKRYZBX-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192058343 135557529 /nfs/dbraw/zinc/55/75/29/135557529.db2.gz NEPSLZGAJYYXCT-NEPJUHHUSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000184268432 135624049 /nfs/dbraw/zinc/62/40/49/135624049.db2.gz ORDOPHUYPDZGOV-CYBMUJFWSA-N 1 0 205.301 2.022 20 30 BEEDRO 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PYZGTCITPFDBCV-AWEZNQCLSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1cccc([C@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592151459 397944871 /nfs/dbraw/zinc/94/48/71/397944871.db2.gz PHLPLQCHJHGWPJ-DZGCQCFKSA-N 1 0 244.338 2.407 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151531 397944976 /nfs/dbraw/zinc/94/49/76/397944976.db2.gz NAYXMDAQODPIHF-STQMWFEESA-N 1 0 222.332 2.082 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](CCCC2CCCC2)C1 ZINC000592151402 397945025 /nfs/dbraw/zinc/94/50/25/397945025.db2.gz OJNFEJFYNWNTKN-CQSZACIVSA-N 1 0 236.359 2.307 20 30 BEEDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000591015038 397920117 /nfs/dbraw/zinc/92/01/17/397920117.db2.gz UOMDMUJXENJECR-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000364968942 397923751 /nfs/dbraw/zinc/92/37/51/397923751.db2.gz DNXKCWAECJVSLP-UHFFFAOYSA-N 1 0 248.370 2.061 20 30 BEEDRO CC[NH+](CC)CCCN1CCC[C@@H](CC#N)C1 ZINC000595623233 397993308 /nfs/dbraw/zinc/99/33/08/397993308.db2.gz 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397984360 /nfs/dbraw/zinc/98/43/60/397984360.db2.gz RHOGUGGRPDIQTB-AXFHLTTASA-N 1 0 249.276 2.033 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185824075 398060261 /nfs/dbraw/zinc/06/02/61/398060261.db2.gz SOFGKDKVTQCAHJ-WUHRBBMRSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCOCC[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649718372 398060693 /nfs/dbraw/zinc/06/06/93/398060693.db2.gz YOKQKRNLPSMKPV-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185858375 398060879 /nfs/dbraw/zinc/06/08/79/398060879.db2.gz LUUWYTABNMKVAZ-STQMWFEESA-N 1 0 222.332 2.251 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185858411 398060999 /nfs/dbraw/zinc/06/09/99/398060999.db2.gz LUUWYTABNMKVAZ-OLZOCXBDSA-N 1 0 222.332 2.251 20 30 BEEDRO CC[C@H](CCO)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185863099 398061046 /nfs/dbraw/zinc/06/10/46/398061046.db2.gz KRHBCBNYSBHGBU-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCCOC1 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ZINC000602883810 398081986 /nfs/dbraw/zinc/08/19/86/398081986.db2.gz MPSOMUSBCUPGNH-RWMBFGLXSA-N 1 0 222.332 2.037 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@@H](O)C(C)C)ccc1C#N ZINC000443982170 398085567 /nfs/dbraw/zinc/08/55/67/398085567.db2.gz DENUINVGORVMGN-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000266138562 398101290 /nfs/dbraw/zinc/10/12/90/398101290.db2.gz GIOHNSOROHNDGN-QWHCGFSZSA-N 1 0 234.299 2.198 20 30 BEEDRO Cc1ccoc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000291764927 398105228 /nfs/dbraw/zinc/10/52/28/398105228.db2.gz RYYXSVLWVKWBNQ-UHFFFAOYSA-N 1 0 229.283 2.088 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000643256861 398118141 /nfs/dbraw/zinc/11/81/41/398118141.db2.gz PGAKHHSVTIICTP-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(C2CCC2)CC1 ZINC000649808754 398115018 /nfs/dbraw/zinc/11/50/18/398115018.db2.gz OSBOIPIVGSDFQU-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528767225 398126073 /nfs/dbraw/zinc/12/60/73/398126073.db2.gz MINJVRVNEBLSCY-GHMZBOCLSA-N 1 0 233.302 2.433 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191919540 398129227 /nfs/dbraw/zinc/12/92/27/398129227.db2.gz IORQUARELOQKLF-KGLIPLIRSA-N 1 0 215.296 2.130 20 30 BEEDRO C=CCCC(=O)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063127603 1172798694 /nfs/dbraw/zinc/79/86/94/1172798694.db2.gz KSVMQZYQZLGCKA-LBPRGKRZSA-N 1 0 244.338 2.432 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H](C[NH2+]C(C)C)C1 ZINC000063137254 1172801985 /nfs/dbraw/zinc/80/19/85/1172801985.db2.gz ZXXKNGOMCCRAHM-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(=O)[C@H]1CCC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172502799 974855545 /nfs/dbraw/zinc/85/55/45/974855545.db2.gz XBCZTYVRMOCVPS-YPMHNXCESA-N 1 0 222.332 2.370 20 30 BEEDRO CC#CC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001648473498 1172837410 /nfs/dbraw/zinc/83/74/10/1172837410.db2.gz JQAAVSGDSGTBEJ-RFQIPJPRSA-N 1 0 201.313 2.154 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC001649397057 1172875126 /nfs/dbraw/zinc/87/51/26/1172875126.db2.gz CVCWNEAAZJEPQT-BFHYXJOUSA-N 1 0 221.344 2.147 20 30 BEEDRO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CCC)C1 ZINC001649457004 1172878279 /nfs/dbraw/zinc/87/82/79/1172878279.db2.gz QOZINVHPNAJSCD-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)N1C[C@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001649464539 1172876554 /nfs/dbraw/zinc/87/65/54/1172876554.db2.gz RWSZFFSFGFBZOF-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC001650842101 1172901879 /nfs/dbraw/zinc/90/18/79/1172901879.db2.gz ONKNEQHMLLWMMF-LBPRGKRZSA-N 1 0 248.374 2.377 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC001650842100 1172902953 /nfs/dbraw/zinc/90/29/53/1172902953.db2.gz ONKNEQHMLLWMMF-GFCCVEGCSA-N 1 0 248.374 2.377 20 30 BEEDRO CC[NH+](CC)CCNc1cc(F)ccc1C#N ZINC001651298212 1172940177 /nfs/dbraw/zinc/94/01/77/1172940177.db2.gz PCSQFLCORWWQBF-UHFFFAOYSA-N 1 0 235.306 2.451 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000393874972 487587454 /nfs/dbraw/zinc/58/74/54/487587454.db2.gz FVVXIXMLVOLQQB-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO CN(CCCC[NH+](C)C)c1cc(F)ccc1C#N ZINC001651381062 1172948145 /nfs/dbraw/zinc/94/81/45/1172948145.db2.gz VUDYMHYWWOPALK-UHFFFAOYSA-N 1 0 249.333 2.475 20 30 BEEDRO CC(C)C(C[NH+]1CCN(CC#N)CC1)C(C)C ZINC000556599655 322916894 /nfs/dbraw/zinc/91/68/94/322916894.db2.gz ARIUPULSKMQCQU-UHFFFAOYSA-N 1 0 237.391 2.056 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]CCCC#N)cc1 ZINC000273097813 166150083 /nfs/dbraw/zinc/15/00/83/166150083.db2.gz UZEVDCYVBIRCND-UHFFFAOYSA-N 1 0 242.322 2.482 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(F)nc1C ZINC000278476248 166127088 /nfs/dbraw/zinc/12/70/88/166127088.db2.gz KAIXCQBPISIACZ-UHFFFAOYSA-N 1 0 220.291 2.422 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn2ccccc2n1 ZINC000150729720 166127136 /nfs/dbraw/zinc/12/71/36/166127136.db2.gz MNECXTLVZOFATP-UHFFFAOYSA-N 1 0 227.311 2.227 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](CC(C)C)OC ZINC000568181395 322921100 /nfs/dbraw/zinc/92/11/00/322921100.db2.gz RQXLGQGTQYNTMY-VXGBXAGGSA-N 1 0 212.337 2.329 20 30 BEEDRO C#CCCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273141610 166133056 /nfs/dbraw/zinc/13/30/56/166133056.db2.gz UMRPAOMUYCNDPL-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000178058555 166133092 /nfs/dbraw/zinc/13/30/92/166133092.db2.gz KZZWLCJEYZCSDT-SJKOYZFVSA-N 1 0 249.379 2.488 20 30 BEEDRO C#CCCC[NH2+][C@H](CCOC)c1ccco1 ZINC000273320063 166133389 /nfs/dbraw/zinc/13/33/89/166133389.db2.gz WNVLDPRJMXGCDH-GFCCVEGCSA-N 1 0 221.300 2.360 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000268743774 166135529 /nfs/dbraw/zinc/13/55/29/166135529.db2.gz UPGBEDLCABRFFY-NSHDSACASA-N 1 0 203.285 2.408 20 30 BEEDRO C#CCC[N@H+](C)CCOc1ccccc1F ZINC000268738790 166135392 /nfs/dbraw/zinc/13/53/92/166135392.db2.gz SQFNNKRXMMCULK-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO C#CCC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000268699681 166136828 /nfs/dbraw/zinc/13/68/28/166136828.db2.gz JTRVZTZHIQUVHU-MRXNPFEDSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000270529579 166135733 /nfs/dbraw/zinc/13/57/33/166135733.db2.gz FFPHJRHAYUVFNA-PXAZEXFGSA-N 1 0 249.379 2.440 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOCc1ccccc1 ZINC000660722711 409648695 /nfs/dbraw/zinc/64/86/95/409648695.db2.gz NEYVMYMVSFTCPE-CABCVRRESA-N 1 0 247.338 2.136 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](OC)C1CCC1 ZINC000660740378 409691887 /nfs/dbraw/zinc/69/18/87/409691887.db2.gz QAEBWVHNIJCHAN-RDBSUJKOSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@]1(C(=O)NCC(CC)CC)CCC[NH2+]1 ZINC000662468289 409725454 /nfs/dbraw/zinc/72/54/54/409725454.db2.gz CCOPEQMTLMJJPK-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO CCC#C[C@H](C)[N@@H+](CCC)CC(=O)NCCC ZINC000662503684 409739534 /nfs/dbraw/zinc/73/95/34/409739534.db2.gz ALWVMFJGOBBEMB-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000653134983 409854834 /nfs/dbraw/zinc/85/48/34/409854834.db2.gz OQLIOQORVOGZRX-RWMBFGLXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000653136818 409857135 /nfs/dbraw/zinc/85/71/35/409857135.db2.gz JSNKQMOGLZYWOG-CHWSQXEVSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCCC(C)(C)NC(=O)c1coc(C[NH3+])c1 ZINC000662952074 409986216 /nfs/dbraw/zinc/98/62/16/409986216.db2.gz CHIKVZVJTHWJRS-UHFFFAOYSA-N 1 0 236.315 2.213 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000662953192 409988277 /nfs/dbraw/zinc/98/82/77/409988277.db2.gz LHUITNYXFFWWDB-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662831725 409940530 /nfs/dbraw/zinc/94/05/30/409940530.db2.gz OILJHUCEXLETMU-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000393446000 410000897 /nfs/dbraw/zinc/00/08/97/410000897.db2.gz ALCGWWZKNURIRP-UMSGYPCISA-N 1 0 222.332 2.226 20 30 BEEDRO CCC(=O)CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661152432 410304495 /nfs/dbraw/zinc/30/44/95/410304495.db2.gz FERXAKLPYVLNEF-LBPRGKRZSA-N 1 0 222.332 2.371 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170474 410317176 /nfs/dbraw/zinc/31/71/76/410317176.db2.gz XDQBBZICJZNKRN-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCC(C)(C)O1)[C@H](C)COC ZINC000661239912 410398749 /nfs/dbraw/zinc/39/87/49/410398749.db2.gz JZDADCRDIZCNKL-OLZOCXBDSA-N 1 0 241.375 2.467 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCO[C@H](C)C1)[C@H](C)COC ZINC000661240671 410402859 /nfs/dbraw/zinc/40/28/59/410402859.db2.gz PUYLHVCOAGCDIL-MGPQQGTHSA-N 1 0 241.375 2.324 20 30 BEEDRO C#CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000267480636 166170231 /nfs/dbraw/zinc/17/02/31/166170231.db2.gz XOXMXMIVPUDQOT-INIZCTEOSA-N 1 0 243.350 2.382 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)cc1)C1CC1 ZINC000061785641 166170936 /nfs/dbraw/zinc/17/09/36/166170936.db2.gz JPKAOOVQDPGLRL-UHFFFAOYSA-N 1 0 215.296 2.293 20 30 BEEDRO C#CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000170971121 166186933 /nfs/dbraw/zinc/18/69/33/166186933.db2.gz YMEFVYGBIOIXHA-UHFFFAOYSA-N 1 0 233.286 2.054 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000157186255 166190922 /nfs/dbraw/zinc/19/09/22/166190922.db2.gz AXGYLBKYWNDXEY-NSHDSACASA-N 1 0 203.285 2.369 20 30 BEEDRO C#CCOc1ccccc1C[N@H+](CC)CCOC ZINC000271062095 166200235 /nfs/dbraw/zinc/20/02/35/166200235.db2.gz XWRUXTGTJXKLBR-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CCCC=C)n1 ZINC000279711428 166207818 /nfs/dbraw/zinc/20/78/18/166207818.db2.gz KHIFIZKKNNWNSO-UHFFFAOYSA-N 1 0 231.343 2.304 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccccc1OCC ZINC000166360184 166211929 /nfs/dbraw/zinc/21/19/29/166211929.db2.gz WLJJMJKQTKAHMQ-LLVKDONJSA-N 1 0 203.285 2.197 20 30 BEEDRO C=CCCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000265511240 166234957 /nfs/dbraw/zinc/23/49/57/166234957.db2.gz ZUFCXPQECFGIHI-UHFFFAOYSA-N 1 0 234.343 2.363 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1COc2ccccc2O1 ZINC000172619275 166255748 /nfs/dbraw/zinc/25/57/48/166255748.db2.gz UTZDXBLHAGXDDX-LBPRGKRZSA-N 1 0 233.311 2.334 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)c1ccccc1F ZINC000276532364 166256579 /nfs/dbraw/zinc/25/65/79/166256579.db2.gz ZZMUIBIUMKBTPV-CYBMUJFWSA-N 1 0 223.291 2.367 20 30 BEEDRO C=CCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000276501514 166256838 /nfs/dbraw/zinc/25/68/38/166256838.db2.gz WGHQJQPSTSSKDL-AWEZNQCLSA-N 1 0 219.328 2.402 20 30 BEEDRO C=CCC[N@@H+](C)Cc1nc(N)c2ccccc2n1 ZINC000276425168 166258557 /nfs/dbraw/zinc/25/85/57/166258557.db2.gz MVHCIOAABBKVSB-UHFFFAOYSA-N 1 0 242.326 2.220 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CCC)C(=O)OCC ZINC000276438765 166259725 /nfs/dbraw/zinc/25/97/25/166259725.db2.gz OFXREEXTJLEMQF-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1nnc2n1CCC2)C1CC1 ZINC000269586666 166297792 /nfs/dbraw/zinc/29/77/92/166297792.db2.gz BJTDLJSATRVXIB-GFCCVEGCSA-N 1 0 246.358 2.059 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000268533591 166298204 /nfs/dbraw/zinc/29/82/04/166298204.db2.gz JEGXFOWSHSDKSV-OCCSQVGLSA-N 1 0 234.343 2.479 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1CC ZINC000096034279 166300577 /nfs/dbraw/zinc/30/05/77/166300577.db2.gz XMDBXXDNGCAQLL-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000268564468 166302827 /nfs/dbraw/zinc/30/28/27/166302827.db2.gz PTYAGQWMNMZAPN-INIZCTEOSA-N 1 0 245.366 2.413 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000154792501 166323074 /nfs/dbraw/zinc/32/30/74/166323074.db2.gz PTLRKTYLJYJXQC-UHFFFAOYSA-N 1 0 218.300 2.263 20 30 BEEDRO C=CC[N@@H+](CC(=O)NCC)CC1CCCCC1 ZINC000112607449 166323868 /nfs/dbraw/zinc/32/38/68/166323868.db2.gz IQEXGSQTBHOUAD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178408025 166324099 /nfs/dbraw/zinc/32/40/99/166324099.db2.gz ILXZACSJSUKGLW-OAHLLOKOSA-N 1 0 223.341 2.042 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000275146949 166324357 /nfs/dbraw/zinc/32/43/57/166324357.db2.gz QRNJTWSBHAHDKY-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C=CC[N@@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000066561543 166327040 /nfs/dbraw/zinc/32/70/40/166327040.db2.gz QVMYGKSDSGNOPG-LBPRGKRZSA-N 1 0 233.311 2.334 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(C=C)CC1 ZINC000111257881 166329063 /nfs/dbraw/zinc/32/90/63/166329063.db2.gz YPJOCSJCIFGIHU-UHFFFAOYSA-N 1 0 248.370 2.085 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1csc(C)n1 ZINC000362044306 166341857 /nfs/dbraw/zinc/34/18/57/166341857.db2.gz CBRPGQMHGKEPRE-UHFFFAOYSA-N 1 0 240.372 2.128 20 30 BEEDRO C=CC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000265221965 166342373 /nfs/dbraw/zinc/34/23/73/166342373.db2.gz NUXDFJVKQXUMLR-AWEZNQCLSA-N 1 0 217.312 2.154 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1cc[nH]n1 ZINC000272640925 166343414 /nfs/dbraw/zinc/34/34/14/166343414.db2.gz OKEOHVXKNMCDJE-UHFFFAOYSA-N 1 0 231.299 2.233 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)nc1)C1CC1 ZINC000271338913 166346227 /nfs/dbraw/zinc/34/62/27/166346227.db2.gz BRQQSHPBBZZXEW-UHFFFAOYSA-N 1 0 218.300 2.241 20 30 BEEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@@H](O)CC ZINC000264413609 166346457 /nfs/dbraw/zinc/34/64/57/166346457.db2.gz GXZREHGMHJIFIA-AWEZNQCLSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000175993163 166352855 /nfs/dbraw/zinc/35/28/55/166352855.db2.gz BUIUYIAWJNYHII-QLFBSQMISA-N 1 0 246.398 2.439 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2occc2C)CC1 ZINC000266236571 166353526 /nfs/dbraw/zinc/35/35/26/166353526.db2.gz WAQYCIWVPMLARY-UHFFFAOYSA-N 1 0 234.343 2.328 20 30 BEEDRO C=CC[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000272899855 166353869 /nfs/dbraw/zinc/35/38/69/166353869.db2.gz GAITYAZGMHPSOV-UHFFFAOYSA-N 1 0 232.327 2.419 20 30 BEEDRO C=CCN1CCO[C@@H](c2cccs2)C1 ZINC000157714770 166356418 /nfs/dbraw/zinc/35/64/18/166356418.db2.gz ZYEZDFUBYWSRRE-SNVBAGLBSA-N 1 0 209.314 2.307 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000661381499 410597069 /nfs/dbraw/zinc/59/70/69/410597069.db2.gz MHZFTOSVICADTJ-ZDUSSCGKSA-N 1 0 219.332 2.171 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000661380959 410597400 /nfs/dbraw/zinc/59/74/00/410597400.db2.gz RZJIARLEMHIZHF-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnnn2CC)C1 ZINC000661386421 410602338 /nfs/dbraw/zinc/60/23/38/410602338.db2.gz SNHRDUHMSWTSEY-LBPRGKRZSA-N 1 0 234.347 2.086 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000680585773 487617848 /nfs/dbraw/zinc/61/78/48/487617848.db2.gz JLDLIHKESMHBIO-NEPJUHHUSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000680585774 487618031 /nfs/dbraw/zinc/61/80/31/487618031.db2.gz JLDLIHKESMHBIO-NWDGAFQWSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000665237822 410726463 /nfs/dbraw/zinc/72/64/63/410726463.db2.gz KTGRJXHHCVMUAN-JSGCOSHPSA-N 1 0 218.344 2.111 20 30 BEEDRO C=CCCCCCNC(=O)C1([NH3+])CCCC1 ZINC000655489360 410799047 /nfs/dbraw/zinc/79/90/47/410799047.db2.gz ZZJJXZJNFNLMFM-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000652016173 410975511 /nfs/dbraw/zinc/97/55/11/410975511.db2.gz UUFPNZAQTYDJEQ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)CCF ZINC000652019081 410998427 /nfs/dbraw/zinc/99/84/27/410998427.db2.gz JITWKCFGHKITTI-MNOVXSKESA-N 1 0 203.301 2.041 20 30 BEEDRO C=CCCC[C@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000661611624 411052169 /nfs/dbraw/zinc/05/21/69/411052169.db2.gz LHIFCWJBTWDUGJ-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522757 411133852 /nfs/dbraw/zinc/13/38/52/411133852.db2.gz QYRORLXFXQKJAU-MCIONIFRSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000651671722 411134750 /nfs/dbraw/zinc/13/47/50/411134750.db2.gz BLMZESIVAONSSD-WDEREUQCSA-N 1 0 205.305 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000651682964 411135578 /nfs/dbraw/zinc/13/55/78/411135578.db2.gz MZZVKPZDSFXHPD-DGCLKSJQSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)CCO)C1 ZINC000651719373 411138394 /nfs/dbraw/zinc/13/83/94/411138394.db2.gz RSYVHHXZIBXKPH-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CCO)C1 ZINC000651724724 411139120 /nfs/dbraw/zinc/13/91/20/411139120.db2.gz DYFXDLRSQUYMOK-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(CO)CC2)C1 ZINC000651729224 411139288 /nfs/dbraw/zinc/13/92/88/411139288.db2.gz ZRKICCQZKKRBSA-NEPJUHHUSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000651730191 411139428 /nfs/dbraw/zinc/13/94/28/411139428.db2.gz CDNYWDGFDUDIOA-UPJWGTAASA-N 1 0 241.400 2.189 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651733721 411139605 /nfs/dbraw/zinc/13/96/05/411139605.db2.gz RLCVCFXVAYPMAW-VIFPVBQESA-N 1 0 202.257 2.492 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCN2CCC2)C1 ZINC000651739159 411139866 /nfs/dbraw/zinc/13/98/66/411139866.db2.gz KRDSZDGAUROCAW-STQMWFEESA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CC2CC2)C1 ZINC000651742102 411140573 /nfs/dbraw/zinc/14/05/73/411140573.db2.gz CZTIOIRJPXSHJG-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc2cnccc2o1 ZINC000651747829 411140847 /nfs/dbraw/zinc/14/08/47/411140847.db2.gz QZOYNLBBEXZCTB-LLVKDONJSA-N 1 0 246.310 2.102 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)N(C)C)C1 ZINC000651752094 411141594 /nfs/dbraw/zinc/14/15/94/411141594.db2.gz UMKSHBCKCIXKEM-YNEHKIRRSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc2cnccc2o1 ZINC000651758007 411141766 /nfs/dbraw/zinc/14/17/66/411141766.db2.gz KYPWWTVLFAYILF-UHFFFAOYSA-N 1 0 232.283 2.120 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)C1 ZINC000651759546 411141944 /nfs/dbraw/zinc/14/19/44/411141944.db2.gz UGYWSPHSTOWLIJ-LOWDOPEQSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000651762154 411142174 /nfs/dbraw/zinc/14/21/74/411142174.db2.gz BDFZJANXSIKCRP-JSGCOSHPSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCCC[C@H]1C ZINC000651761399 411142345 /nfs/dbraw/zinc/14/23/45/411142345.db2.gz QUHISAQNQGHLMF-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)C1 ZINC000651767938 411142900 /nfs/dbraw/zinc/14/29/00/411142900.db2.gz RNYBYIKTBUSIKF-MROQNXINSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ncnn2C)C1 ZINC000651784378 411143484 /nfs/dbraw/zinc/14/34/84/411143484.db2.gz MWGBTMLUHMPERI-IJLUTSLNSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CC(F)F)C1 ZINC000651786324 411143719 /nfs/dbraw/zinc/14/37/19/411143719.db2.gz RSTOFRGBMNNLJP-OUAUKWLOSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000651786381 411143747 /nfs/dbraw/zinc/14/37/47/411143747.db2.gz VDYZQPCNJKKEOE-AHPWVWPOSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000651806988 411144767 /nfs/dbraw/zinc/14/47/67/411144767.db2.gz GPXYPQWXKSVWMT-RWMBFGLXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc2cnccc2o1 ZINC000651824221 411145525 /nfs/dbraw/zinc/14/55/25/411145525.db2.gz KRVBEVDZSQOCJJ-GFCCVEGCSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000651832536 411146930 /nfs/dbraw/zinc/14/69/30/411146930.db2.gz UAQKWRCHMWSVKD-QNWHQSFQSA-N 1 0 209.333 2.234 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1ccnc(C#N)c1 ZINC000286068386 169801091 /nfs/dbraw/zinc/80/10/91/169801091.db2.gz IZMHEKXINONFGM-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045091 411093394 /nfs/dbraw/zinc/09/33/94/411093394.db2.gz ZEVAYUKSYPBBMI-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@@H](O)COC ZINC000657936349 411173119 /nfs/dbraw/zinc/17/31/19/411173119.db2.gz QAGQHCFKKDKKOU-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000657954386 411179540 /nfs/dbraw/zinc/17/95/40/411179540.db2.gz ZBKRYSXPZILEGW-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657973954 411184661 /nfs/dbraw/zinc/18/46/61/411184661.db2.gz KZCTZNUCUHDFLS-JQWIXIFHSA-N 1 0 246.310 2.415 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655764856 411243750 /nfs/dbraw/zinc/24/37/50/411243750.db2.gz SZDCOBVMGDTQHA-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CC ZINC000657981331 411187691 /nfs/dbraw/zinc/18/76/91/411187691.db2.gz UKORSZXEAVQGEG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCO ZINC000657994042 411191883 /nfs/dbraw/zinc/19/18/83/411191883.db2.gz NDMSIYZGFDKWAC-STQMWFEESA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCn2nccc21 ZINC000657995277 411192032 /nfs/dbraw/zinc/19/20/32/411192032.db2.gz DPVNZGLQHXSCAH-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C1COCCOC1 ZINC000310034178 411194322 /nfs/dbraw/zinc/19/43/22/411194322.db2.gz SIRPKMQORSDMFZ-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](COC)C1CCOCC1 ZINC000658097259 411244601 /nfs/dbraw/zinc/24/46/01/411244601.db2.gz SONOESCCGYDIIO-GXTWGEPZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)C ZINC000658016167 411198974 /nfs/dbraw/zinc/19/89/74/411198974.db2.gz XGCSDCXUBRSBNE-OLZOCXBDSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCn2nccc21 ZINC000658026916 411203581 /nfs/dbraw/zinc/20/35/81/411203581.db2.gz IGWBNISHNSDUCN-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCn2nccc21 ZINC000658026918 411203646 /nfs/dbraw/zinc/20/36/46/411203646.db2.gz IGWBNISHNSDUCN-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000658032492 411210381 /nfs/dbraw/zinc/21/03/81/411210381.db2.gz SROZRRALVNAIOG-RVMXOQNASA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000658032488 411210602 /nfs/dbraw/zinc/21/06/02/411210602.db2.gz SROZRRALVNAIOG-NDBYEHHHSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn(C)nn1 ZINC000658043195 411216556 /nfs/dbraw/zinc/21/65/56/411216556.db2.gz BRWIKCNKAQCLCT-GXTWGEPZSA-N 1 0 248.374 2.082 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](CO)CCF ZINC000658043401 411216725 /nfs/dbraw/zinc/21/67/25/411216725.db2.gz HGKMXFQHBGJSRI-AGIUHOORSA-N 1 0 229.339 2.431 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)Cn1cncn1 ZINC000658046447 411217463 /nfs/dbraw/zinc/21/74/63/411217463.db2.gz LECBJQVEZKCXPB-LBPRGKRZSA-N 1 0 222.336 2.003 20 30 BEEDRO C[C@@]12COC[C@@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC000661703309 411219925 /nfs/dbraw/zinc/21/99/25/411219925.db2.gz JUGRZNUSBSTMEN-JKSUJKDBSA-N 1 0 241.334 2.006 20 30 BEEDRO C=CC[C@H](Cc1ccccc1)n1cc(C[NH3+])nn1 ZINC000656456915 411265230 /nfs/dbraw/zinc/26/52/30/411265230.db2.gz AITDYIIWCYCHQV-CQSZACIVSA-N 1 0 242.326 2.097 20 30 BEEDRO C=CC[C@@H](Cc1ccccc1)n1cc(C[NH3+])nn1 ZINC000656456912 411265294 /nfs/dbraw/zinc/26/52/94/411265294.db2.gz AITDYIIWCYCHQV-AWEZNQCLSA-N 1 0 242.326 2.097 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)C1(CO)CC1)C1CC1 ZINC000658157580 411271183 /nfs/dbraw/zinc/27/11/83/411271183.db2.gz ZWEJXUNUWPIQMK-AAEUAGOBSA-N 1 0 223.360 2.482 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000615136938 411276022 /nfs/dbraw/zinc/27/60/22/411276022.db2.gz LQYUJCJWZIUGNC-CHWSQXEVSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658171096 411281288 /nfs/dbraw/zinc/28/12/88/411281288.db2.gz WWZJUGGKUNYPMZ-VHSXEESVSA-N 1 0 219.275 2.355 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000658205534 411292638 /nfs/dbraw/zinc/29/26/38/411292638.db2.gz IBVXYQSQVIKVTG-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658252303 411315191 /nfs/dbraw/zinc/31/51/91/411315191.db2.gz QBSNKVOVUMKYTR-TUAOUCFPSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1cncc(C)n1 ZINC000658262002 411318302 /nfs/dbraw/zinc/31/83/02/411318302.db2.gz NXCPOOVJRBIZDI-NSHDSACASA-N 1 0 219.332 2.272 20 30 BEEDRO C=CCC[C@H]([NH2+]C/C=C/CO)c1ccco1 ZINC000658132755 411256467 /nfs/dbraw/zinc/25/64/67/411256467.db2.gz BIQLJJBONKOSHF-ITKZLYELSA-N 1 0 221.300 2.425 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCCc1ccccc1 ZINC000662168379 411372695 /nfs/dbraw/zinc/37/26/95/411372695.db2.gz DEASIILWTAVOEJ-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@H](C)OCc1ccccc1 ZINC000662168518 411372381 /nfs/dbraw/zinc/37/23/81/411372381.db2.gz JVQPWCHKUAWBCX-DZGCQCFKSA-N 1 0 249.354 2.118 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000658334059 411342765 /nfs/dbraw/zinc/34/27/65/411342765.db2.gz BZCCZOWKJBXMKD-CABCVRRESA-N 1 0 231.339 2.071 20 30 BEEDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336563120 168007379 /nfs/dbraw/zinc/00/73/79/168007379.db2.gz CMLVNWVFHKOADO-CYBMUJFWSA-N 1 0 248.301 2.043 20 30 BEEDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335312419 168007445 /nfs/dbraw/zinc/00/74/45/168007445.db2.gz WQSBXNXYSRRQDV-CYBMUJFWSA-N 1 0 248.301 2.043 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655778470 411347108 /nfs/dbraw/zinc/34/71/08/411347108.db2.gz MLVROBIWUCHQEA-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO CC#CC[N@H+](CC)CCOc1ccccc1OC ZINC000662205943 411376940 /nfs/dbraw/zinc/37/69/40/411376940.db2.gz RUVWTLNVBUOJMJ-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C=C1CC[NH+]([C@@H]2C[C@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659908374 411379173 /nfs/dbraw/zinc/37/91/73/411379173.db2.gz HRDOYDPUEISDOF-MGPQQGTHSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000656829214 411379782 /nfs/dbraw/zinc/37/97/82/411379782.db2.gz XPYPTCWELGETAK-ZFWWWQNUSA-N 1 0 248.370 2.319 20 30 BEEDRO CC1=CC[N@H+](CCNc2ccc(C#N)nc2)CC1 ZINC000302177272 168113255 /nfs/dbraw/zinc/11/32/55/168113255.db2.gz WTQLAARNVWJNCM-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO CCC(C)(C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189572861 168299642 /nfs/dbraw/zinc/29/96/42/168299642.db2.gz LFUUTNNCCDFWNT-UHFFFAOYSA-N 1 0 205.305 2.175 20 30 BEEDRO C=CC[N@H+](CCc1c[nH]nn1)Cc1cccs1 ZINC000659815613 411461375 /nfs/dbraw/zinc/46/13/75/411461375.db2.gz HHMASIZJVDRBDN-UHFFFAOYSA-N 1 0 248.355 2.097 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000653052895 411405859 /nfs/dbraw/zinc/40/58/59/411405859.db2.gz OPSOXJUJPQWEIL-JSGCOSHPSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCNC1=O ZINC000657285131 411443562 /nfs/dbraw/zinc/44/35/62/411443562.db2.gz ZRSQEQKRIGUDMF-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccnn1CCC ZINC000313487537 411447711 /nfs/dbraw/zinc/44/77/11/411447711.db2.gz FECCPDZVCHTRAH-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294800 411454733 /nfs/dbraw/zinc/45/47/33/411454733.db2.gz NKPHQHPGRAIVEB-CVEARBPZSA-N 1 0 241.334 2.149 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000659515263 411468789 /nfs/dbraw/zinc/46/87/89/411468789.db2.gz BKTDPSGDRFDKRP-LLVKDONJSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2(C)CCCC2)nn1 ZINC000657345378 411471159 /nfs/dbraw/zinc/47/11/59/411471159.db2.gz MQZWGLRYTBPAHP-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000657364397 411481676 /nfs/dbraw/zinc/48/16/76/411481676.db2.gz ZWFYYQNTPUKKHH-JTQLQIEISA-N 1 0 219.332 2.352 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)CC(C)C)nn1 ZINC000657414390 411499083 /nfs/dbraw/zinc/49/90/83/411499083.db2.gz NQOWURRKXLACQV-GFCCVEGCSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C)C2CCC2)nn1 ZINC000657417358 411500734 /nfs/dbraw/zinc/50/07/34/411500734.db2.gz NDCHTQMIRLGMGW-NSHDSACASA-N 1 0 234.347 2.132 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657454511 411514858 /nfs/dbraw/zinc/51/48/58/411514858.db2.gz KPQPXFPBZLFASB-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657455417 411515694 /nfs/dbraw/zinc/51/56/94/411515694.db2.gz JGARBUFSACXFOB-LLVKDONJSA-N 1 0 219.332 2.274 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@H]2CC[C@@H](C)C2)nn1 ZINC000657456934 411521327 /nfs/dbraw/zinc/52/13/27/411521327.db2.gz BVTIJHZYTTUPNP-OLZOCXBDSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCOC1 ZINC000657529492 411544534 /nfs/dbraw/zinc/54/45/34/411544534.db2.gz DKBQEGKNQHZNIM-FRRDWIJNSA-N 1 0 209.333 2.500 20 30 BEEDRO CC[NH2+]CCNc1ccc(Cl)cc1C#N ZINC000054267377 170116048 /nfs/dbraw/zinc/11/60/48/170116048.db2.gz CQIMRPAPNAUOKX-UHFFFAOYSA-N 1 0 223.707 2.233 20 30 BEEDRO CC[NH2+]CCNc1cc(C#N)c2ccccc2n1 ZINC000068771010 170116548 /nfs/dbraw/zinc/11/65/48/170116548.db2.gz VYLIPKJXFJKIBX-UHFFFAOYSA-N 1 0 240.310 2.128 20 30 BEEDRO C=CCC[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000657582923 411554332 /nfs/dbraw/zinc/55/43/32/411554332.db2.gz NTMJVCHAYGSGIV-UHFFFAOYSA-N 1 0 235.283 2.090 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](COC)OC)C1 ZINC000657554679 411549069 /nfs/dbraw/zinc/54/90/69/411549069.db2.gz PTIKTLDMXMVQMT-HZSPNIEDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](COC)OC)C1 ZINC000657554682 411549134 /nfs/dbraw/zinc/54/91/34/411549134.db2.gz PTIKTLDMXMVQMT-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC1([NH2+]Cc2ccncc2)CCOCC1 ZINC000657633229 411566883 /nfs/dbraw/zinc/56/68/83/411566883.db2.gz RXSJPZYMTHJLQP-UHFFFAOYSA-N 1 0 232.327 2.297 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)C2CC2)CCOCC1 ZINC000657633193 411566901 /nfs/dbraw/zinc/56/69/01/411566901.db2.gz KCLWLLYNDBMRLN-NSHDSACASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000657624627 411565699 /nfs/dbraw/zinc/56/56/99/411565699.db2.gz LOBWJIPYBWKOOS-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+]CC1(CC)CCOCC1 ZINC000657658102 411571994 /nfs/dbraw/zinc/57/19/94/411571994.db2.gz MLTVSZRYRLZQQG-UHFFFAOYSA-N 1 0 241.375 2.376 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnc2ccccn12 ZINC000657658219 411572017 /nfs/dbraw/zinc/57/20/17/411572017.db2.gz PPECRVWRQYGUSI-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(OC)cc1 ZINC000657657931 411572050 /nfs/dbraw/zinc/57/20/50/411572050.db2.gz VBGNRJDORHGPEH-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000657659325 411572717 /nfs/dbraw/zinc/57/27/17/411572717.db2.gz WEESCMMIJNFAOT-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000657659264 411572828 /nfs/dbraw/zinc/57/28/28/411572828.db2.gz UPUIEEGTLFSFNC-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO CCOCC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336757120 170351889 /nfs/dbraw/zinc/35/18/89/170351889.db2.gz HNDBWIUSGMKHBL-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(CC)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660772708 411624171 /nfs/dbraw/zinc/62/41/71/411624171.db2.gz LNOURKQTZDDECX-UHFFFAOYSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CCCC[N@H+](C1CC1)C1(CO)CCC1 ZINC000660785992 411631215 /nfs/dbraw/zinc/63/12/15/411631215.db2.gz MFAXQRMGBLYESD-UHFFFAOYSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CCCN(C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660399239 411578918 /nfs/dbraw/zinc/57/89/18/411578918.db2.gz IBJHTOFYRZDMKV-KBPBESRZSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000660399182 411579491 /nfs/dbraw/zinc/57/94/91/411579491.db2.gz HNOUEPUTQKUHHU-UHFFFAOYSA-N 1 0 205.305 2.101 20 30 BEEDRO C=CC[N@H+](CCOC)CCOCc1ccccc1 ZINC000660403937 411579966 /nfs/dbraw/zinc/57/99/66/411579966.db2.gz UGSQNBBVIPSMQY-UHFFFAOYSA-N 1 0 249.354 2.338 20 30 BEEDRO C=CCC1([NH2+]Cc2cncnc2OC)CCCC1 ZINC000657703278 411583029 /nfs/dbraw/zinc/58/30/29/411583029.db2.gz VZBZKQWEQYJBQL-UHFFFAOYSA-N 1 0 247.342 2.464 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C(C)C)C2CC2)nn1 ZINC000657757958 411591052 /nfs/dbraw/zinc/59/10/52/411591052.db2.gz XZVVAYFXTLNFET-AWEZNQCLSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660528762 411595793 /nfs/dbraw/zinc/59/57/93/411595793.db2.gz PMDWQQJSDDIYPI-UWVGGRQHSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC)C1 ZINC000657789781 411596961 /nfs/dbraw/zinc/59/69/61/411596961.db2.gz JLSBIKFTDVDRJX-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1c(C)nnn1CC ZINC000657804826 411600009 /nfs/dbraw/zinc/60/00/09/411600009.db2.gz FCYLNIBTNJTUPB-UHFFFAOYSA-N 1 0 236.363 2.441 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cncn1C ZINC000657805902 411600062 /nfs/dbraw/zinc/60/00/62/411600062.db2.gz WTVKSMYXMVOSRJ-UHFFFAOYSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1ccnc(OC)n1 ZINC000657805357 411600560 /nfs/dbraw/zinc/60/05/60/411600560.db2.gz NEBHXHLOLNGDDK-UHFFFAOYSA-N 1 0 235.331 2.320 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660741479 411620189 /nfs/dbraw/zinc/62/01/89/411620189.db2.gz SFGJNKZHIYXJHB-ITGHMWBKSA-N 1 0 221.344 2.356 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)C[C@H]1CC=CCC1 ZINC000680099600 487536260 /nfs/dbraw/zinc/53/62/60/487536260.db2.gz YGZVRNMZVSUFCC-QWHCGFSZSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661097728 411706673 /nfs/dbraw/zinc/70/66/73/411706673.db2.gz VVGVCBNKTUQTKL-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000661113877 411712094 /nfs/dbraw/zinc/71/20/94/411712094.db2.gz BULLHWXMEFNYHP-NEPJUHHUSA-N 1 0 234.347 2.338 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000661116516 411713581 /nfs/dbraw/zinc/71/35/81/411713581.db2.gz YQXTYOAERJKZEN-YIYPIFLZSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000661116510 411714501 /nfs/dbraw/zinc/71/45/01/411714501.db2.gz YQXTYOAERJKZEN-FQUUOJAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000680099598 487536202 /nfs/dbraw/zinc/53/62/02/487536202.db2.gz YGZVRNMZVSUFCC-OLZOCXBDSA-N 1 0 209.333 2.212 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000661214037 411733948 /nfs/dbraw/zinc/73/39/48/411733948.db2.gz GDDPKOYJUWKNBU-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@@H+](CCC[C@H]1CCOC1)[C@@H](C)COC ZINC000661241080 411740807 /nfs/dbraw/zinc/74/08/07/411740807.db2.gz WPLYKOCOSADBOR-KBPBESRZSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@H+](C[C@H](O)CCC(C)C)[C@H](C)COC ZINC000661240612 411741546 /nfs/dbraw/zinc/74/15/46/411741546.db2.gz OYULAXNPJHNTAL-ZIAGYGMSSA-N 1 0 243.391 2.306 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000661378872 411760552 /nfs/dbraw/zinc/76/05/52/411760552.db2.gz NRKCPDYVXPKXDG-GFCCVEGCSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000661377479 411760597 /nfs/dbraw/zinc/76/05/97/411760597.db2.gz OFBUQWQMGDWHKL-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000661380062 411761696 /nfs/dbraw/zinc/76/16/96/411761696.db2.gz DLXWQGSLBDVPGF-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)N(C)CC)C1 ZINC000661381071 411762109 /nfs/dbraw/zinc/76/21/09/411762109.db2.gz UTFJCMMWMLLWHG-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC2(C)COC2)C1 ZINC000661379931 411762333 /nfs/dbraw/zinc/76/23/33/411762333.db2.gz JMKCIVXQSTVKJB-GFCCVEGCSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661446244 411778322 /nfs/dbraw/zinc/77/83/22/411778322.db2.gz RFNMHWLCDWWZES-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CC#CCC[N@@H+]1CC2(CCC2)OC[C@@H]1C ZINC000661465231 411782533 /nfs/dbraw/zinc/78/25/33/411782533.db2.gz DGBIWOBSQNAKKH-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661489373 411786419 /nfs/dbraw/zinc/78/64/19/411786419.db2.gz ANXIYJRXXGSGTL-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661145628 411719444 /nfs/dbraw/zinc/71/94/44/411719444.db2.gz MZWSYUYFIWMLPM-UONOGXRCSA-N 1 0 248.374 2.345 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)COCC(C)C)C(C)(C)C ZINC000661754753 411866892 /nfs/dbraw/zinc/86/68/92/411866892.db2.gz DEJFQEFXSODPPM-CYBMUJFWSA-N 1 0 243.391 2.306 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661709075 411851209 /nfs/dbraw/zinc/85/12/09/411851209.db2.gz OQGJMKAWTAPBCS-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661709071 411851647 /nfs/dbraw/zinc/85/16/47/411851647.db2.gz OQGJMKAWTAPBCS-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCNc1cc(NCCC=C)ncn1 ZINC000664227070 411889729 /nfs/dbraw/zinc/88/97/29/411889729.db2.gz AILXZSNXJDYUES-UHFFFAOYSA-N 1 0 218.304 2.453 20 30 BEEDRO C=CCCNc1cc(NCC2CC2)ncn1 ZINC000664228640 411889879 /nfs/dbraw/zinc/88/98/79/411889879.db2.gz TVKUDGFDWPBYHX-UHFFFAOYSA-N 1 0 218.304 2.287 20 30 BEEDRO C=CCC1([NH2+]CC#CCOC)CCCC1 ZINC000661850870 411898099 /nfs/dbraw/zinc/89/80/99/411898099.db2.gz AQMJMXFLAFLYEA-UHFFFAOYSA-N 1 0 207.317 2.115 20 30 BEEDRO C=CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661869455 411910747 /nfs/dbraw/zinc/91/07/47/411910747.db2.gz VNMVFZYQFLMHKJ-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000661961971 411922624 /nfs/dbraw/zinc/92/26/24/411922624.db2.gz RYSUDBIHRIQBBU-UHFFFAOYSA-N 1 0 237.343 2.024 20 30 BEEDRO C=CCOCCCNc1cc[nH+]c(C)c1Cl ZINC000664388785 411937458 /nfs/dbraw/zinc/93/74/58/411937458.db2.gz TZVNRQMUSLMDRE-UHFFFAOYSA-N 1 0 240.734 2.470 20 30 BEEDRO C=CCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661994206 411938224 /nfs/dbraw/zinc/93/82/24/411938224.db2.gz LBZZRDWWXHCILX-UHFFFAOYSA-N 1 0 221.344 2.454 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)C(F)(F)F)C(C)(C)C ZINC000661760767 411871382 /nfs/dbraw/zinc/87/13/82/411871382.db2.gz ZWONQTDEIZZLMR-MRVPVSSYSA-N 1 0 225.254 2.196 20 30 BEEDRO C=CC[N@H+](Cc1ccnc(N)c1)C(C)(C)C ZINC000661759367 411872024 /nfs/dbraw/zinc/87/20/24/411872024.db2.gz FAWDVSRPUJVIEJ-UHFFFAOYSA-N 1 0 219.332 2.450 20 30 BEEDRO C=CC[N@@H+](Cc1ccn(C)n1)C(C)(C)C ZINC000661760715 411872074 /nfs/dbraw/zinc/87/20/74/411872074.db2.gz XRTXQSXMSQDQFQ-UHFFFAOYSA-N 1 0 207.321 2.207 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCO1 ZINC000662082580 411970186 /nfs/dbraw/zinc/97/01/86/411970186.db2.gz WAOORAYTIGSWHY-FRRDWIJNSA-N 1 0 207.317 2.348 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1ccnc1 ZINC000662087998 411982678 /nfs/dbraw/zinc/98/26/78/411982678.db2.gz SJHQAGDVQRKBHM-OKILXGFUSA-N 1 0 231.343 2.456 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[C@H](C)O ZINC000662089846 411984235 /nfs/dbraw/zinc/98/42/35/411984235.db2.gz GNOWOOBGHROPAI-RWMBFGLXSA-N 1 0 209.333 2.330 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CC(F)(F)F ZINC000662091273 411985276 /nfs/dbraw/zinc/98/52/76/411985276.db2.gz VXVQMISEYCMUTC-OUAUKWLOSA-N 1 0 249.276 2.483 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1N ZINC000662090781 411986037 /nfs/dbraw/zinc/98/60/37/411986037.db2.gz RFVJWLVUHXDOGC-BETUJISGSA-N 1 0 229.327 2.347 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](C)CO)c1ccc(C#N)cc1 ZINC000278281342 170897828 /nfs/dbraw/zinc/89/78/28/170897828.db2.gz PXOXNTCSQMVDDX-BXUZGUMPSA-N 1 0 232.327 2.227 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662145858 412007326 /nfs/dbraw/zinc/00/73/26/412007326.db2.gz ZICOCSCUZPUGPW-STQMWFEESA-N 1 0 211.349 2.293 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662162603 412013471 /nfs/dbraw/zinc/01/34/71/412013471.db2.gz RIZMABMQHDSRNQ-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO CC[C@@H](O)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353267194 170926405 /nfs/dbraw/zinc/92/64/05/170926405.db2.gz PEHXUBRQLWWYOE-HIFRSBDPSA-N 1 0 244.338 2.296 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000664833368 412028851 /nfs/dbraw/zinc/02/88/51/412028851.db2.gz QCQJWKIMGGEDJA-KGLIPLIRSA-N 1 0 246.354 2.402 20 30 BEEDRO CC[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000292418564 171022053 /nfs/dbraw/zinc/02/20/53/171022053.db2.gz MOJHHLIWAQYNFE-ZIAGYGMSSA-N 1 0 230.311 2.076 20 30 BEEDRO COCC#CC[N@H+](CCC1CC1)CC1CC1 ZINC000662178838 412021645 /nfs/dbraw/zinc/02/16/45/412021645.db2.gz HWFOLIJZHOOGAR-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@@H]1O ZINC000275702063 171093902 /nfs/dbraw/zinc/09/39/02/171093902.db2.gz QQFYCJXBDWJHAE-LNSITVRQSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@H]1O ZINC000275702066 171096200 /nfs/dbraw/zinc/09/62/00/171096200.db2.gz QQFYCJXBDWJHAE-UXIGCNINSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCOCCC#N ZINC000339009502 171118182 /nfs/dbraw/zinc/11/81/82/171118182.db2.gz KJKLAIOBHLHKMU-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@](C)(O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384908 171186634 /nfs/dbraw/zinc/18/66/34/171186634.db2.gz LTCMAJNFMTUZAW-LSDHHAIUSA-N 1 0 244.338 2.296 20 30 BEEDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000037110141 171304458 /nfs/dbraw/zinc/30/44/58/171304458.db2.gz JQAJGZIROPFKEL-NSHDSACASA-N 1 0 245.326 2.227 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1ccccc1C#N ZINC000287361966 171313839 /nfs/dbraw/zinc/31/38/39/171313839.db2.gz LYKUXRDGOWIBDH-LBPRGKRZSA-N 1 0 232.327 2.151 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000264885379 171378821 /nfs/dbraw/zinc/37/88/21/171378821.db2.gz VMDHSXQSDMHREB-FZMZJTMJSA-N 1 0 232.327 2.055 20 30 BEEDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000304045643 171382812 /nfs/dbraw/zinc/38/28/12/171382812.db2.gz JOBRVIFTPHCWRS-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CC[N@H+](Cc1cccc(N)c1)[C@@H](C)COC ZINC000662299209 412086548 /nfs/dbraw/zinc/08/65/48/412086548.db2.gz MDKYSOSAAADLLB-LBPRGKRZSA-N 1 0 234.343 2.292 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662347291 412118794 /nfs/dbraw/zinc/11/87/94/412118794.db2.gz ZNWNZGFOHLCUMM-VXGBXAGGSA-N 1 0 211.349 2.291 20 30 BEEDRO CC[C@H](CO)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000278213717 171453992 /nfs/dbraw/zinc/45/39/92/171453992.db2.gz IGUFNTQZBKLNKF-ZIAGYGMSSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@@H](CC)CCC)CCC[NH2+]1 ZINC000662546664 412211803 /nfs/dbraw/zinc/21/18/03/412211803.db2.gz ZEUBMMFRHKMDQP-JSGCOSHPSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[C@@]1(C(=O)NC2CCCCC2)CCC[NH2+]1 ZINC000662432648 412169608 /nfs/dbraw/zinc/16/96/08/412169608.db2.gz VLPNNYFJBJFMOW-AWEZNQCLSA-N 1 0 236.359 2.134 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286698 412233066 /nfs/dbraw/zinc/23/30/66/412233066.db2.gz RWADWHWGKUKHSE-ZIAGYGMSSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288404 412233751 /nfs/dbraw/zinc/23/37/51/412233751.db2.gz MBHJRRXBKVUSOS-STQMWFEESA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[C@]1(C(=O)N2CCC(C=C)CC2)CCC[NH2+]1 ZINC000662595361 412233987 /nfs/dbraw/zinc/23/39/87/412233987.db2.gz WLIAOBDAPQBVTQ-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC1(CNC(=O)[C@H]([NH3+])CC)CCCC1 ZINC000662620662 412244137 /nfs/dbraw/zinc/24/41/37/412244137.db2.gz NTYZXTQWBKXVIG-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000662635930 412252371 /nfs/dbraw/zinc/25/23/71/412252371.db2.gz PDCGPFCUGLNNAC-OLZOCXBDSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000662857801 412327218 /nfs/dbraw/zinc/32/72/18/412327218.db2.gz PVMILGUZVCTAMX-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC1(NC(=O)CC[C@H](C)[NH3+])CCCC1 ZINC000662888108 412335667 /nfs/dbraw/zinc/33/56/67/412335667.db2.gz FORUYMLHAANZBU-NSHDSACASA-N 1 0 224.348 2.119 20 30 BEEDRO C=C[C@@H](CC(=O)N[C@H](C)C[NH2+]C)c1ccccc1 ZINC000662968479 412359716 /nfs/dbraw/zinc/35/97/16/412359716.db2.gz IWGAMGBEZZGYGW-OLZOCXBDSA-N 1 0 246.354 2.070 20 30 BEEDRO CCc1nocc1C[NH2+]CC1(CC#N)CC1 ZINC000339386118 172098375 /nfs/dbraw/zinc/09/83/75/172098375.db2.gz VROLGHZFXQPQEB-UHFFFAOYSA-N 1 0 219.288 2.020 20 30 BEEDRO CN(C)C1(C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000097928946 172403172 /nfs/dbraw/zinc/40/31/72/172403172.db2.gz HMUUZGJVARBGCB-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO C[NH+](C)C[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000293006380 172497399 /nfs/dbraw/zinc/49/73/99/172497399.db2.gz HWUKROXWFXJAIV-GFCCVEGCSA-N 1 0 247.317 2.085 20 30 BEEDRO C[NH+](C)C[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000264961104 172497407 /nfs/dbraw/zinc/49/74/07/172497407.db2.gz NLIVUWAEBJBSGF-LLVKDONJSA-N 1 0 247.317 2.085 20 30 BEEDRO CN(c1cccc(F)c1C#N)[C@H]1CCC[N@H+](C)C1 ZINC000088058159 173043356 /nfs/dbraw/zinc/04/33/56/173043356.db2.gz VXXRNIVFERIROR-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CNc1cccc(F)c1C#N ZINC000227424247 173055787 /nfs/dbraw/zinc/05/57/87/173055787.db2.gz YDSLFUQBMALWML-JTQLQIEISA-N 1 0 233.290 2.203 20 30 BEEDRO C[N@@H+]1CCN(Cc2cccc(C#N)c2)CC1(C)C ZINC000104137086 173088523 /nfs/dbraw/zinc/08/85/23/173088523.db2.gz UGMYSVQRASHANN-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[NH2+]C(C)(C)CNc1ncc(C#N)cc1Cl ZINC000336763096 173320100 /nfs/dbraw/zinc/32/01/00/173320100.db2.gz LXWPICIZYKPJQI-UHFFFAOYSA-N 1 0 238.722 2.017 20 30 BEEDRO C[NH2+]C[C@H]1CCCN1c1ccc(C#N)c(Cl)c1 ZINC000133333556 173380578 /nfs/dbraw/zinc/38/05/78/173380578.db2.gz NRTHIPCAARWDCL-GFCCVEGCSA-N 1 0 249.745 2.400 20 30 BEEDRO COCC1(CC[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000339446838 174094082 /nfs/dbraw/zinc/09/40/82/174094082.db2.gz GLCLNUAGUOJTKP-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO COCC1([NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000309619561 174109093 /nfs/dbraw/zinc/10/90/93/174109093.db2.gz DUCPUGNRMXTEMF-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824052 174201013 /nfs/dbraw/zinc/20/10/13/174201013.db2.gz OQMKIPLAYKKKDO-UHFFFAOYSA-N 1 0 248.326 2.083 20 30 BEEDRO COCCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000177898147 174263782 /nfs/dbraw/zinc/26/37/82/174263782.db2.gz KBBJGFOVBWHIRE-LBPRGKRZSA-N 1 0 232.327 2.463 20 30 BEEDRO COCC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000374302616 174304331 /nfs/dbraw/zinc/30/43/31/174304331.db2.gz PLQAXSNSZKEEBZ-UHFFFAOYSA-N 1 0 242.322 2.294 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001652324801 1173064443 /nfs/dbraw/zinc/06/44/43/1173064443.db2.gz URZVRTBGKRNICN-RNJOBUHISA-N 1 0 209.333 2.092 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000289382222 174777235 /nfs/dbraw/zinc/77/72/35/174777235.db2.gz MPPVVCZGXNNBNN-AOOOYVTPSA-N 1 0 236.340 2.229 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000340496407 174870737 /nfs/dbraw/zinc/87/07/37/174870737.db2.gz NRSYYFJGIGLMRZ-KGYLQXTDSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001652324800 1173064664 /nfs/dbraw/zinc/06/46/64/1173064664.db2.gz URZVRTBGKRNICN-CYDGBPFRSA-N 1 0 209.333 2.092 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+](C)C[C@H](C)OC ZINC000336785120 175052174 /nfs/dbraw/zinc/05/21/74/175052174.db2.gz BJVDKFZLVJBWDS-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000230161463 175741004 /nfs/dbraw/zinc/74/10/04/175741004.db2.gz SNCDMYCYCAHTJQ-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCOC1 ZINC000135501901 175897323 /nfs/dbraw/zinc/89/73/23/175897323.db2.gz FFTXYLQHJFJXNF-NXEZZACHSA-N 1 0 236.340 2.134 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1ccccc1 ZINC000233900963 487632300 /nfs/dbraw/zinc/63/23/00/487632300.db2.gz VICLPRILMBHLRX-JTQLQIEISA-N 1 0 201.273 2.035 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135484988 176131874 /nfs/dbraw/zinc/13/18/74/176131874.db2.gz JMURRVSNTMFBNY-SKDRFNHKSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000071207148 176132260 /nfs/dbraw/zinc/13/22/60/176132260.db2.gz OUIOLERHFGQCIO-UGFHNGPFSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]1CCOCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000362042573 176189557 /nfs/dbraw/zinc/18/95/57/176189557.db2.gz CELDOFKMLBFYQG-GFCCVEGCSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)O1 ZINC000128295660 176206362 /nfs/dbraw/zinc/20/63/62/176206362.db2.gz KUKRXMCVAPOYKY-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCS1 ZINC000135471672 176305249 /nfs/dbraw/zinc/30/52/49/176305249.db2.gz MLVDSTQUINTFQC-LLVKDONJSA-N 1 0 232.352 2.496 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000286194450 176355850 /nfs/dbraw/zinc/35/58/50/176355850.db2.gz XQERRUOUQJPYNB-ZWNOBZJWSA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000336227071 176355852 /nfs/dbraw/zinc/35/58/52/176355852.db2.gz DJDXZQVVURTDOV-LDYMZIIASA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000273098815 176366813 /nfs/dbraw/zinc/36/68/13/176366813.db2.gz VGFUEQZZKHZCKA-NEPJUHHUSA-N 1 0 248.326 2.446 20 30 BEEDRO C[C@@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721810 176377162 /nfs/dbraw/zinc/37/71/62/176377162.db2.gz IEDMVCPJPGMGGU-DOMZBBRYSA-N 1 0 243.354 2.131 20 30 BEEDRO C[C@@H]1C[C@@H](NCc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693733 176377808 /nfs/dbraw/zinc/37/78/08/176377808.db2.gz DDOXLMLHTGCNHL-MNOVXSKESA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000304274580 176534883 /nfs/dbraw/zinc/53/48/83/176534883.db2.gz CNYFUIGWYMFWDP-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(C#N)cc1 ZINC000079473718 176835931 /nfs/dbraw/zinc/83/59/31/176835931.db2.gz CUOSBXFNZULGCF-NSHDSACASA-N 1 0 230.311 2.245 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1ccncc1F ZINC000336772683 176841579 /nfs/dbraw/zinc/84/15/79/176841579.db2.gz YGDMMHOONLRKQH-VIFPVBQESA-N 1 0 207.252 2.175 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCCO1 ZINC000271941808 176874525 /nfs/dbraw/zinc/87/45/25/176874525.db2.gz BTEOCZLFBFNHBI-GWCFXTLKSA-N 1 0 234.299 2.198 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000123454071 176999641 /nfs/dbraw/zinc/99/96/41/176999641.db2.gz GGGTWSQHLWJDCV-RYUDHWBXSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000264476724 177008395 /nfs/dbraw/zinc/00/83/95/177008395.db2.gz YVUGCXZYOGGKSR-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352678120 177035527 /nfs/dbraw/zinc/03/55/27/177035527.db2.gz XHDJXESTYQFVOK-BYCMXARLSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCNCc1ccc(C#N)o1 ZINC000174271157 177075492 /nfs/dbraw/zinc/07/54/92/177075492.db2.gz FCQUZYAFUIXUFT-LBPRGKRZSA-N 1 0 247.342 2.115 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2cc(C#N)ccn2)C1 ZINC000283533085 177097459 /nfs/dbraw/zinc/09/74/59/177097459.db2.gz LDGHHABFLDHLMK-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000157685629 177099179 /nfs/dbraw/zinc/09/91/79/177099179.db2.gz XRBCIKQFBKIEQG-JTQLQIEISA-N 1 0 204.273 2.383 20 30 BEEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOCCC#N ZINC000338984339 177117550 /nfs/dbraw/zinc/11/75/50/177117550.db2.gz ZOTHVPRYQVNIRF-TXEJJXNPSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000128430977 177193710 /nfs/dbraw/zinc/19/37/10/177193710.db2.gz KUOUGYHSBPRWCE-VHSXEESVSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2)[C@@H](C)C[N@@H+]1C ZINC000334458194 177239490 /nfs/dbraw/zinc/23/94/90/177239490.db2.gz QSHOIDQFBIGWSY-OLZOCXBDSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC#N)CC(C)(C)O1 ZINC000045691293 177248521 /nfs/dbraw/zinc/24/85/21/177248521.db2.gz DNWLYCCANNAEHR-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1ccccc1C#N ZINC000293464155 177253202 /nfs/dbraw/zinc/25/32/02/177253202.db2.gz QKFNIXNMPMCTEF-NWDGAFQWSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCCO1 ZINC000061918353 177263331 /nfs/dbraw/zinc/26/33/31/177263331.db2.gz UJBVBOGSQTYVQQ-LBPRGKRZSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000271326970 177324862 /nfs/dbraw/zinc/32/48/62/177324862.db2.gz FEOXGRJETIZZSS-WFASDCNBSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]1C[C@@H](C[NH+]2CCC(F)(C#N)CC2)CCO1 ZINC000352485573 177325113 /nfs/dbraw/zinc/32/51/13/177325113.db2.gz ZWGLSMUGOYVXRJ-RYUDHWBXSA-N 1 0 240.322 2.129 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001652433606 1173081311 /nfs/dbraw/zinc/08/13/11/1173081311.db2.gz SQEPQXWNGWKORR-MRVPVSSYSA-N 1 0 209.676 2.157 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459728097 224816371 /nfs/dbraw/zinc/81/63/71/224816371.db2.gz HTWQPOMTUWYOGH-NXEZZACHSA-N 1 0 212.362 2.267 20 30 BEEDRO Cc1cc(C[N@@H+](C)CC(C)(C)O)ccc1C#N ZINC000487889017 225329142 /nfs/dbraw/zinc/32/91/42/225329142.db2.gz ONRMROVLEDAFGF-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000494222400 226262398 /nfs/dbraw/zinc/26/23/98/226262398.db2.gz FVQWKJMUGHOHLE-DOMZBBRYSA-N 1 0 247.313 2.334 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1cn[nH]c1 ZINC000494673558 226267870 /nfs/dbraw/zinc/26/78/70/226267870.db2.gz LPQQPQGNRHMAPG-LLVKDONJSA-N 1 0 240.310 2.327 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503949665 226337079 /nfs/dbraw/zinc/33/70/79/226337079.db2.gz SDRWNHDHWSERSB-GWOFURMSSA-N 1 0 244.285 2.429 20 30 BEEDRO C[C@H]1C[C@@H](O)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000401504292 226358675 /nfs/dbraw/zinc/35/86/75/226358675.db2.gz QUCOSFSIRLTVOK-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CC#CCC[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000680885352 487664406 /nfs/dbraw/zinc/66/44/06/487664406.db2.gz RDFRTPGGXFCEEQ-UHFFFAOYSA-N 1 0 229.323 2.206 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CCC(C)(C)C#N)C1 ZINC000510093595 229290325 /nfs/dbraw/zinc/29/03/25/229290325.db2.gz IWGBAYFZGURISI-PHIMTYICSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CC1(O)CCC(C)CC1 ZINC000305198505 229370788 /nfs/dbraw/zinc/37/07/88/229370788.db2.gz FBOADMWKDNPTDH-CPCZMJQVSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000528004323 262899828 /nfs/dbraw/zinc/89/98/28/262899828.db2.gz FADZOTYJPLSJKE-LSUSWQKBSA-N 1 0 222.332 2.080 20 30 BEEDRO CC[C@@H](CC#N)NC1CC[NH+](CC2CC2)CC1 ZINC000545168080 487701160 /nfs/dbraw/zinc/70/11/60/487701160.db2.gz UTNAGGIWKUKWBL-ZDUSSCGKSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCOc2ccccc2C1 ZINC000675489666 487739848 /nfs/dbraw/zinc/73/98/48/487739848.db2.gz GDBNVNGFUSJOTL-CQSZACIVSA-N 1 0 247.338 2.208 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOC1CCCCC1 ZINC000886172932 585111022 /nfs/dbraw/zinc/11/10/22/585111022.db2.gz AEJMJTCOWMUZIM-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000449523348 487756963 /nfs/dbraw/zinc/75/69/63/487756963.db2.gz XOPNWUDYTYGTHQ-LOWDOPEQSA-N 1 0 207.317 2.108 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000649604795 487768805 /nfs/dbraw/zinc/76/88/05/487768805.db2.gz XUTMSQGDYHUQLA-CABCVRRESA-N 1 0 246.354 2.198 20 30 BEEDRO COCC#CC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681477552 487802594 /nfs/dbraw/zinc/80/25/94/487802594.db2.gz CICURAOORRVEOR-UHFFFAOYSA-N 1 0 241.334 2.184 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592153222 487807614 /nfs/dbraw/zinc/80/76/14/487807614.db2.gz KWRIWJOJZYDCJR-CYBMUJFWSA-N 1 0 222.332 2.083 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1COCC)C(C)C ZINC000309909599 527413329 /nfs/dbraw/zinc/41/33/29/527413329.db2.gz LVTICQYOFTXWRO-HZSPNIEDSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCOC)COC)C1 ZINC000651813969 487834381 /nfs/dbraw/zinc/83/43/81/487834381.db2.gz DSLCDKCUEPFFDS-HZSPNIEDSA-N 1 0 241.375 2.372 20 30 BEEDRO N#CCC[NH2+]CCC[C@@H]1CC1(Cl)Cl ZINC000844277884 588179146 /nfs/dbraw/zinc/17/91/46/588179146.db2.gz NOKJPRZEXLGKQL-MRVPVSSYSA-N 1 0 221.131 2.464 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)C(F)(F)F ZINC000848988922 588426681 /nfs/dbraw/zinc/42/66/81/588426681.db2.gz MTIMIRWBINYLIC-UHFFFAOYSA-N 1 0 237.269 2.265 20 30 BEEDRO C#CCOCC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000852157146 588667893 /nfs/dbraw/zinc/66/78/93/588667893.db2.gz FKPYHRDIUIQXFC-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](COC)C1 ZINC000677048240 487847831 /nfs/dbraw/zinc/84/78/31/487847831.db2.gz RJZIJCPCMWZXOE-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCC1([NH2+]CCCCC)CCOCC1 ZINC000887122021 592445840 /nfs/dbraw/zinc/44/58/40/592445840.db2.gz HPWXXBBXDRVMSK-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO COCC#CC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000682031787 487879032 /nfs/dbraw/zinc/87/90/32/487879032.db2.gz VPEBIPCTHJIFQK-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CCN(C)Cc1ccccc1Cl ZINC000677132490 487886785 /nfs/dbraw/zinc/88/67/85/487886785.db2.gz ABHBFIRNECZQBW-UHFFFAOYSA-N 1 0 237.730 2.422 20 30 BEEDRO CC[N@H+](CC#CCOC)Cc1cccs1 ZINC000677132724 487888842 /nfs/dbraw/zinc/88/88/42/487888842.db2.gz ONSPZXWIMZNCFP-UHFFFAOYSA-N 1 0 223.341 2.220 20 30 BEEDRO CC[N@H+](CC#CCOC)Cc1ccccc1C ZINC000677132726 487888597 /nfs/dbraw/zinc/88/85/97/487888597.db2.gz OTGNDFYGGMIFRJ-UHFFFAOYSA-N 1 0 231.339 2.467 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000677132758 487889654 /nfs/dbraw/zinc/88/96/54/487889654.db2.gz QBILLTKDXKSLPV-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccccc1C ZINC000677132847 487889828 /nfs/dbraw/zinc/88/98/28/487889828.db2.gz UXJRKXOSBUEZAQ-UHFFFAOYSA-N 1 0 217.312 2.077 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000653488238 487914888 /nfs/dbraw/zinc/91/48/88/487914888.db2.gz JGIHTEUZLCXRJS-BETUJISGSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CCO[C@H](C)C2)CCOCC1 ZINC000668552618 487923039 /nfs/dbraw/zinc/92/30/39/487923039.db2.gz PRMYITLILFWRIX-CHWSQXEVSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CCO[C@@H](C)C2)CCOCC1 ZINC000668552620 487923214 /nfs/dbraw/zinc/92/32/14/487923214.db2.gz PRMYITLILFWRIX-QWHCGFSZSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@@H](C)CCC)nn1 ZINC000653491781 487922954 /nfs/dbraw/zinc/92/29/54/487922954.db2.gz ILVRCFLJHUZVID-LBPRGKRZSA-N 1 0 236.363 2.475 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000682168959 487923973 /nfs/dbraw/zinc/92/39/73/487923973.db2.gz SQJAAKBNDOVZOC-UHFFFAOYSA-N 1 0 244.338 2.245 20 30 BEEDRO Cc1ccc(CCC[NH2+]CC2(C#N)CC2)cn1 ZINC000569442256 322966187 /nfs/dbraw/zinc/96/61/87/322966187.db2.gz PUVWVIRBRWEQCQ-UHFFFAOYSA-N 1 0 229.327 2.216 20 30 BEEDRO CC#CC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910273 323008558 /nfs/dbraw/zinc/00/85/58/323008558.db2.gz QTOXBAFJXCXBSH-GJZGRUSLSA-N 1 0 245.366 2.496 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C=CCCC2)o1 ZINC000151182722 323012734 /nfs/dbraw/zinc/01/27/34/323012734.db2.gz UCIOIJYQIVXEHF-JTQLQIEISA-N 1 0 202.257 2.350 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C1Cc2ccccc2C1 ZINC000562243689 323013815 /nfs/dbraw/zinc/01/38/15/323013815.db2.gz YGUPBUYXYKQXAG-LBPRGKRZSA-N 1 0 239.322 2.187 20 30 BEEDRO Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000562523402 323022370 /nfs/dbraw/zinc/02/23/70/323022370.db2.gz QATNAHAIMFPPNY-IPYPFGDCSA-N 1 0 244.338 2.310 20 30 BEEDRO C=CC[C@H]1[N@H+](Cc2nncn2C)CCCC1(C)C ZINC000562543293 323023498 /nfs/dbraw/zinc/02/34/98/323023498.db2.gz OBQKSACMKLYJNM-GFCCVEGCSA-N 1 0 248.374 2.382 20 30 BEEDRO C=CCCCC[N@@H+](C)CCc1cnccn1 ZINC000562539218 323023804 /nfs/dbraw/zinc/02/38/04/323023804.db2.gz XXXOZWXMMCBVSU-UHFFFAOYSA-N 1 0 219.332 2.307 20 30 BEEDRO N#CCC1CC[NH+](CCc2cccnc2)CC1 ZINC000260027375 323024085 /nfs/dbraw/zinc/02/40/85/323024085.db2.gz RMZMTDDLBLBXEE-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO N#CCC1CC[NH+](CCc2cscn2)CC1 ZINC000260274167 323029889 /nfs/dbraw/zinc/02/98/89/323029889.db2.gz YAXHYJVYNQMONC-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO N#CCC[NH2+]CCc1ccc(F)c(F)c1F ZINC000569716085 323038445 /nfs/dbraw/zinc/03/84/45/323038445.db2.gz BWVWQZARMBZJNH-UHFFFAOYSA-N 1 0 228.217 2.150 20 30 BEEDRO CC(C)OCCCC[NH2+]C[C@@H](C#N)CCC#N ZINC000569804915 323041248 /nfs/dbraw/zinc/04/12/48/323041248.db2.gz OOSCMQUGDOJZAD-CYBMUJFWSA-N 1 0 237.347 2.225 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000570221761 323053099 /nfs/dbraw/zinc/05/30/99/323053099.db2.gz CNQKEBSNPZAISG-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO N#CCC[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000570325333 323056276 /nfs/dbraw/zinc/05/62/76/323056276.db2.gz SLPJNDFDPRDXDI-UHFFFAOYSA-N 1 0 243.232 2.146 20 30 BEEDRO CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](C#N)C2)c1C ZINC000570564185 323063190 /nfs/dbraw/zinc/06/31/90/323063190.db2.gz ZYKIASDJYGLBOF-STQMWFEESA-N 1 0 246.358 2.302 20 30 BEEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)O ZINC000570795494 323070556 /nfs/dbraw/zinc/07/05/56/323070556.db2.gz VREZDNZCODHGIF-GXTWGEPZSA-N 1 0 219.328 2.144 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H]1CC=CCC1 ZINC000336740401 323082481 /nfs/dbraw/zinc/08/24/81/323082481.db2.gz UKBGIFFQUMOIJG-OLZOCXBDSA-N 1 0 209.333 2.117 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000336781055 323085551 /nfs/dbraw/zinc/08/55/51/323085551.db2.gz TVCOGPMJAZFJDC-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000066536696 323085756 /nfs/dbraw/zinc/08/57/56/323085756.db2.gz OAEZMEVLTNYVOM-CQSZACIVSA-N 1 0 235.375 2.240 20 30 BEEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCCC#N ZINC000184087783 323086843 /nfs/dbraw/zinc/08/68/43/323086843.db2.gz ZFRJUBAPGCMYFD-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000365517669 323097594 /nfs/dbraw/zinc/09/75/94/323097594.db2.gz UNAFBHIELDNMTN-CZUORRHYSA-N 1 0 243.416 2.433 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000531868399 323118637 /nfs/dbraw/zinc/11/86/37/323118637.db2.gz JTJKDGSCFKBENX-SRVKXCTJSA-N 1 0 229.389 2.139 20 30 BEEDRO C=CC1CC[NH+](CCCc2cncn2C)CC1 ZINC000563353656 323120316 /nfs/dbraw/zinc/12/03/16/323120316.db2.gz FFICQXUZVXLMHW-UHFFFAOYSA-N 1 0 233.359 2.251 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000563367695 323121399 /nfs/dbraw/zinc/12/13/99/323121399.db2.gz XYBHXBXNVKKGGO-CABCVRRESA-N 1 0 246.354 2.262 20 30 BEEDRO CC[N@@H+]1CC[C@@H]([NH+](C)CCCCC#N)[C@@H](C)C1 ZINC000247227839 323132528 /nfs/dbraw/zinc/13/25/28/323132528.db2.gz RVTJWZJPEXOCEE-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+](CC)CCC ZINC000571188815 323137916 /nfs/dbraw/zinc/13/79/16/323137916.db2.gz IXCGXHCYGLJWAK-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCCC#N ZINC000571397582 323143579 /nfs/dbraw/zinc/14/35/79/323143579.db2.gz JHHCSKMIACOVHN-OCCSQVGLSA-N 1 0 232.327 2.044 20 30 BEEDRO C=C(C)CCc1noc(CC2CC[NH+](C)CC2)n1 ZINC000289032032 323151873 /nfs/dbraw/zinc/15/18/73/323151873.db2.gz GJEMMBSBNXDMOA-UHFFFAOYSA-N 1 0 249.358 2.463 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(OC)ccc1OC)C(C)C ZINC000289579722 323181281 /nfs/dbraw/zinc/18/12/81/323181281.db2.gz TUSGHHHSAUJIGT-CQSZACIVSA-N 1 0 247.338 2.451 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(Cl)o1 ZINC000320804867 323183859 /nfs/dbraw/zinc/18/38/59/323183859.db2.gz WHFXOYIOYIVYAJ-SECBINFHSA-N 1 0 229.707 2.350 20 30 BEEDRO N#Cc1ccc(C[NH+]2C3CCC2CC3)o1 ZINC000535779927 323191149 /nfs/dbraw/zinc/19/11/49/323191149.db2.gz XSJZTIDDFRQXHX-UHFFFAOYSA-N 1 0 202.257 2.278 20 30 BEEDRO C=CCN1CC[NH+](C2CCCCC2)CC1 ZINC000116145224 323203711 /nfs/dbraw/zinc/20/37/11/323203711.db2.gz LTHOHQZRKKUTIW-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(OC(C)C)CC1 ZINC000532381276 323257403 /nfs/dbraw/zinc/25/74/03/323257403.db2.gz MRICTMXGDYGHPA-ZDUSSCGKSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCC12CC2 ZINC000514616217 323326859 /nfs/dbraw/zinc/32/68/59/323326859.db2.gz MSMSBQANQRWMJC-VXGBXAGGSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC[C@@H]1CCNC1=O ZINC000567246359 323335544 /nfs/dbraw/zinc/33/55/44/323335544.db2.gz LALHMMVXECQEON-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO N#CCCCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000564078197 323426620 /nfs/dbraw/zinc/42/66/20/323426620.db2.gz QBVFBBSASXDRII-OAHLLOKOSA-N 1 0 246.354 2.264 20 30 BEEDRO CCN(CC[NH+]1CCC(C)CC1)C[C@@H](C)C#N ZINC000152511346 323431077 /nfs/dbraw/zinc/43/10/77/323431077.db2.gz DIWGAXBLSBFTLJ-AWEZNQCLSA-N 1 0 237.391 2.200 20 30 BEEDRO CCC#C[C@H](C)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000677048467 487958643 /nfs/dbraw/zinc/95/86/43/487958643.db2.gz YQGDFJMAFMOZBY-GJZGRUSLSA-N 1 0 234.387 2.349 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccnc2ccccc12 ZINC000320415500 323570949 /nfs/dbraw/zinc/57/09/49/323570949.db2.gz RHJBKDUQZNGHRV-CYBMUJFWSA-N 1 0 242.322 2.261 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000677048491 487959379 /nfs/dbraw/zinc/95/93/79/487959379.db2.gz YXTKHSFAHMAMRE-WCQYABFASA-N 1 0 247.342 2.359 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527906258 323715825 /nfs/dbraw/zinc/71/58/25/323715825.db2.gz WEQRUYCUQAQIEG-RVMXOQNASA-N 1 0 221.344 2.498 20 30 BEEDRO CCC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528358267 323804544 /nfs/dbraw/zinc/80/45/44/323804544.db2.gz ZKVPWYGEKDNPNJ-ZDUSSCGKSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1[C@H](C)C[C@H]1C ZINC000548754350 323857904 /nfs/dbraw/zinc/85/79/04/323857904.db2.gz YYFBRWAAAYPTAM-UPJWGTAASA-N 1 0 236.359 2.058 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@@H]2CC)nn1 ZINC000653539646 487961402 /nfs/dbraw/zinc/96/14/02/487961402.db2.gz GUIVMJJNOSRGQQ-ZDUSSCGKSA-N 1 0 234.347 2.229 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000121225164 324006444 /nfs/dbraw/zinc/00/64/44/324006444.db2.gz SIXXUQQBKZJNIR-OTTFEQOBSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121375980 324010077 /nfs/dbraw/zinc/01/00/77/324010077.db2.gz RTRPZKUBZKTDJP-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(C)C)C1CC1 ZINC000125343333 324638968 /nfs/dbraw/zinc/63/89/68/324638968.db2.gz WZSJHQISHMPCHN-STQMWFEESA-N 1 0 211.349 2.338 20 30 BEEDRO CC1(C)CCC[C@@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000538716493 324735315 /nfs/dbraw/zinc/73/53/15/324735315.db2.gz BLRODZHUZQJWOT-CQSZACIVSA-N 1 0 249.402 2.344 20 30 BEEDRO C=CCC[C@H]([NH2+]CCn1cccn1)C1CC1 ZINC000129270671 324933084 /nfs/dbraw/zinc/93/30/84/324933084.db2.gz PSSSRHXEGIRPKD-ZDUSSCGKSA-N 1 0 219.332 2.218 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000541733546 324975882 /nfs/dbraw/zinc/97/58/82/324975882.db2.gz HDDLHIDGAHEEPM-CYBMUJFWSA-N 1 0 245.366 2.461 20 30 BEEDRO N#Cc1ccc(OCC[NH2+]C2(C3CC3)CC2)cc1 ZINC000542527445 325033990 /nfs/dbraw/zinc/03/39/90/325033990.db2.gz UVTJPFRRLQKJFK-UHFFFAOYSA-N 1 0 242.322 2.469 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]CC(C)(C)CCC#N ZINC000130313512 325038440 /nfs/dbraw/zinc/03/84/40/325038440.db2.gz ZPCSFSCVBQJBIJ-LBPRGKRZSA-N 1 0 226.364 2.315 20 30 BEEDRO Cc1noc(C)c1CC[NH+]1CCC(CC#N)CC1 ZINC000543809120 325115017 /nfs/dbraw/zinc/11/50/17/325115017.db2.gz ASICZNSKVQYESY-UHFFFAOYSA-N 1 0 247.342 2.460 20 30 BEEDRO CCCC[C@H](COC)[NH2+][C@@H](CC)CC#N ZINC000131233201 325128220 /nfs/dbraw/zinc/12/82/20/325128220.db2.gz VIPGAECHCMOAGL-NWDGAFQWSA-N 1 0 212.337 2.473 20 30 BEEDRO CCCC[C@@H](COC)[NH2+][C@@H](CC)CC#N ZINC000131232977 325128275 /nfs/dbraw/zinc/12/82/75/325128275.db2.gz VIPGAECHCMOAGL-RYUDHWBXSA-N 1 0 212.337 2.473 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000545247380 325201853 /nfs/dbraw/zinc/20/18/53/325201853.db2.gz XKUVVKQDRZVAGO-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000132174315 325202756 /nfs/dbraw/zinc/20/27/56/325202756.db2.gz KOXGPJGMPLDXTC-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000546103725 325265498 /nfs/dbraw/zinc/26/54/98/325265498.db2.gz BVKUBJHKMVAAJV-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[N@H+](CCCSCC#N)C[C@H](C)C#N ZINC000074989826 325273644 /nfs/dbraw/zinc/27/36/44/325273644.db2.gz WILIFLWPESSCIW-LLVKDONJSA-N 1 0 225.361 2.115 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000547405696 325351418 /nfs/dbraw/zinc/35/14/18/325351418.db2.gz OIXLGPVTRIQUME-HZSPNIEDSA-N 1 0 248.370 2.475 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC(C)(C)C[NH+](C)C ZINC000134912147 325382622 /nfs/dbraw/zinc/38/26/22/325382622.db2.gz PEFWEQFEXAUDOA-AWEZNQCLSA-N 1 0 240.391 2.293 20 30 BEEDRO C[C@@H]1C[C@@H](C)[NH+]1CCOc1ccccc1C#N ZINC000547768468 325394379 /nfs/dbraw/zinc/39/43/79/325394379.db2.gz OGKGYHXBHGPDDJ-VXGBXAGGSA-N 1 0 230.311 2.420 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000135492509 325415297 /nfs/dbraw/zinc/41/52/97/325415297.db2.gz HVFIBVBTYJDNNP-UHFFFAOYSA-N 1 0 224.329 2.134 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2cccnc2)s1 ZINC000135494408 325415751 /nfs/dbraw/zinc/41/57/51/325415751.db2.gz AIYUMVRKIMCVLU-UHFFFAOYSA-N 1 0 229.308 2.305 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccccn2)s1 ZINC000135666678 325421585 /nfs/dbraw/zinc/42/15/85/325421585.db2.gz JCRGHEMWHQDILD-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CC2CC2)C(C)C)nn1 ZINC000653572816 487968329 /nfs/dbraw/zinc/96/83/29/487968329.db2.gz BZJSPOZNPNIJOR-UHFFFAOYSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000248648771 325616263 /nfs/dbraw/zinc/61/62/63/325616263.db2.gz UFJSOMBJYDDMJL-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000086695426 325618745 /nfs/dbraw/zinc/61/87/45/325618745.db2.gz WCKHHYXXCZOLNB-AWEZNQCLSA-N 1 0 232.327 2.319 20 30 BEEDRO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000552319236 325620514 /nfs/dbraw/zinc/62/05/14/325620514.db2.gz HRGAIQWCGVDRFD-KGYLQXTDSA-N 1 0 244.342 2.153 20 30 BEEDRO CC[C@H](CCO)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248812953 325621939 /nfs/dbraw/zinc/62/19/39/325621939.db2.gz KRHBCBNYSBHGBU-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO Cc1cnc([C@@H](C)[NH+]2CCC(CC#N)CC2)cn1 ZINC000555642721 325767325 /nfs/dbraw/zinc/76/73/25/325767325.db2.gz KCZBQWHTIKXMEJ-GFCCVEGCSA-N 1 0 244.342 2.472 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000564630822 325799445 /nfs/dbraw/zinc/79/94/45/325799445.db2.gz WETYUHOQNTZBLW-DDTOSNHZSA-N 1 0 230.311 2.386 20 30 BEEDRO C[C@H](O)[C@](C)(C[NH2+]CCC#N)Cc1ccccc1 ZINC000566009560 325983748 /nfs/dbraw/zinc/98/37/48/325983748.db2.gz ALXKUFDXHWZRNX-ZFWWWQNUSA-N 1 0 246.354 2.119 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]CCCCC#N ZINC000566303835 326031151 /nfs/dbraw/zinc/03/11/51/326031151.db2.gz KLUOAPOFWFUOLZ-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1CCCC[C@H]1O ZINC000566302224 326031318 /nfs/dbraw/zinc/03/13/18/326031318.db2.gz TZLKYIXBPXQTNY-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566404952 326038589 /nfs/dbraw/zinc/03/85/89/326038589.db2.gz SCRIVWUIRVAUQZ-YPMHNXCESA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000566404949 326040127 /nfs/dbraw/zinc/04/01/27/326040127.db2.gz SCRIVWUIRVAUQZ-AAEUAGOBSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000566408182 326040655 /nfs/dbraw/zinc/04/06/55/326040655.db2.gz YPMAAEHMZXTTQR-QWRGUYRKSA-N 1 0 226.364 2.078 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(C#N)cn3)C[C@@H]21 ZINC000566686255 326074612 /nfs/dbraw/zinc/07/46/12/326074612.db2.gz GGXBOGMQBLBSLH-BETUJISGSA-N 1 0 227.311 2.041 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000153678473 326106917 /nfs/dbraw/zinc/10/69/17/326106917.db2.gz MUAWXIRESOYMCT-HNNXBMFYSA-N 1 0 242.322 2.171 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000567190423 326132934 /nfs/dbraw/zinc/13/29/34/326132934.db2.gz CRZDFNXDQNDJRT-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC#CCNC(=O)CCC[NH+](CCC)CCC ZINC000154544209 326149494 /nfs/dbraw/zinc/14/94/94/326149494.db2.gz NYTVJAKGYZOPTR-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cncn1C ZINC000309757076 326166526 /nfs/dbraw/zinc/16/65/26/326166526.db2.gz LTKXYTLXGUDWGP-RYUDHWBXSA-N 1 0 221.348 2.153 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCCCO1)C1CCCC1 ZINC000155725142 326209665 /nfs/dbraw/zinc/20/96/65/326209665.db2.gz PEJQVQRVIMOUCP-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@H]1OCCN(Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000156026755 326217252 /nfs/dbraw/zinc/21/72/52/326217252.db2.gz OYJLSHKBTGDVSV-GHMZBOCLSA-N 1 0 248.301 2.307 20 30 BEEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)[C@H](C)O ZINC000567688398 326245506 /nfs/dbraw/zinc/24/55/06/326245506.db2.gz PLBSJQMIPIPFEE-DYEKYZERSA-N 1 0 232.327 2.390 20 30 BEEDRO C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989261 326292285 /nfs/dbraw/zinc/29/22/85/326292285.db2.gz AOKDCGHXNHQDPI-JTQLQIEISA-N 1 0 245.282 2.451 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CCC(C)(C)C#N ZINC000567992684 326293106 /nfs/dbraw/zinc/29/31/06/326293106.db2.gz XDRODVQHMDEGHL-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCC(C)(C)C#N ZINC000567992681 326293115 /nfs/dbraw/zinc/29/31/15/326293115.db2.gz XDRODVQHMDEGHL-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO CC#CC[N@@H+](C)CCOc1ccccc1OC ZINC000157742589 326294021 /nfs/dbraw/zinc/29/40/21/326294021.db2.gz RYWFMEQXJANIAA-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO CCCC[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000158156236 326310265 /nfs/dbraw/zinc/31/02/65/326310265.db2.gz LXWMLJBHLXRVMU-UHFFFAOYSA-N 1 0 242.326 2.438 20 30 BEEDRO N#CCC[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000568382719 326351915 /nfs/dbraw/zinc/35/19/15/326351915.db2.gz JEJJJCMSBBTEAY-CYBMUJFWSA-N 1 0 229.327 2.307 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000568764529 326376125 /nfs/dbraw/zinc/37/61/25/326376125.db2.gz YOALLPSMOGDZRY-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000569070010 326388519 /nfs/dbraw/zinc/38/85/19/326388519.db2.gz QBXGCARMGXDTFB-ZDUSSCGKSA-N 1 0 202.301 2.447 20 30 BEEDRO CC(C)C[C@H]1C[C@@H]([NH2+]CCC#N)CCO1 ZINC000569096501 326389466 /nfs/dbraw/zinc/38/94/66/326389466.db2.gz DHMGVSODTRUCIE-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(F)cc1F ZINC000163426118 326401773 /nfs/dbraw/zinc/40/17/73/326401773.db2.gz GZDPHFRVUADJBU-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C=CCN1CC[C@H]([NH+]2C3CCCC2CCC3)C1=O ZINC000685001468 487987510 /nfs/dbraw/zinc/98/75/10/487987510.db2.gz ITHBCOMGBFKWRI-RUXDESIVSA-N 1 0 248.370 2.180 20 30 BEEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)C1CCCC1 ZINC000610813945 488008476 /nfs/dbraw/zinc/00/84/76/488008476.db2.gz WLRVFZIXIQHEKY-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(C)cc1 ZINC000677476934 488044673 /nfs/dbraw/zinc/04/46/73/488044673.db2.gz KLMYDSVRFSKGIV-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000677477473 488046677 /nfs/dbraw/zinc/04/66/77/488046677.db2.gz HPENKWAPBDKHIB-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000677479224 488048067 /nfs/dbraw/zinc/04/80/67/488048067.db2.gz HDBSLILLDNYDNT-OAHLLOKOSA-N 1 0 233.355 2.459 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(OCC(C)C)CC1 ZINC000677478332 488048185 /nfs/dbraw/zinc/04/81/85/488048185.db2.gz VMCDKPJMHWJEAR-AWEZNQCLSA-N 1 0 241.375 2.060 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000677479537 488050165 /nfs/dbraw/zinc/05/01/65/488050165.db2.gz OPMQDLLYQCOZDH-LSDHHAIUSA-N 1 0 246.354 2.110 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172748784 974923876 /nfs/dbraw/zinc/92/38/76/974923876.db2.gz WIANETFLCDHNTB-GFCCVEGCSA-N 1 0 225.332 2.110 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(CCC)C1 ZINC000389339386 488090798 /nfs/dbraw/zinc/09/07/98/488090798.db2.gz IXEQSCCLCNFZJV-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO CC[N@@H+]1CCN(CC#Cc2ccccc2)C[C@@H]1C ZINC000683019538 488094466 /nfs/dbraw/zinc/09/44/66/488094466.db2.gz QMOYQHCKHZPORL-HNNXBMFYSA-N 1 0 242.366 2.064 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000677716024 488098560 /nfs/dbraw/zinc/09/85/60/488098560.db2.gz IVSOYMLPAGIDMP-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@H](C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667727571 488102560 /nfs/dbraw/zinc/10/25/60/488102560.db2.gz BTUIARQKCBABHE-JTQLQIEISA-N 1 0 233.315 2.231 20 30 BEEDRO C=CCCN(C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667735049 488104664 /nfs/dbraw/zinc/10/46/64/488104664.db2.gz GEAWEBYQUSHABH-UHFFFAOYSA-N 1 0 233.315 2.185 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000683101490 488107778 /nfs/dbraw/zinc/10/77/78/488107778.db2.gz DRRDUJLOJFOSAP-NEPJUHHUSA-N 1 0 211.374 2.473 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000683101493 488108782 /nfs/dbraw/zinc/10/87/82/488108782.db2.gz DRRDUJLOJFOSAP-VXGBXAGGSA-N 1 0 211.374 2.473 20 30 BEEDRO C[N@H+](C[C@H](C#N)CCC#N)CC1CCC1 ZINC000112560558 488119541 /nfs/dbraw/zinc/11/95/41/488119541.db2.gz JCHDQTXVVUKBLF-LBPRGKRZSA-N 1 0 205.305 2.162 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2([C@H](C)O)CC2)C1 ZINC000668699568 488130939 /nfs/dbraw/zinc/13/09/39/488130939.db2.gz FSUVIWBYKWCMKI-TUAOUCFPSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2([C@H](C)O)CC2)C1 ZINC000668699567 488131123 /nfs/dbraw/zinc/13/11/23/488131123.db2.gz FSUVIWBYKWCMKI-QJPTWQEYSA-N 1 0 209.333 2.234 20 30 BEEDRO CC[N@H+](CC#CCOC)Cc1ccc(OC)cc1 ZINC000677818441 488133069 /nfs/dbraw/zinc/13/30/69/488133069.db2.gz NUDRDFPXWFSMKV-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000683224206 488133658 /nfs/dbraw/zinc/13/36/58/488133658.db2.gz FCAILGRZFHPLMA-WCQYABFASA-N 1 0 229.323 2.251 20 30 BEEDRO C=CCC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000658114912 487548141 /nfs/dbraw/zinc/54/81/41/487548141.db2.gz SATJPBGVGJQCRB-LLVKDONJSA-N 1 0 220.316 2.187 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172758886 974931105 /nfs/dbraw/zinc/93/11/05/974931105.db2.gz INQLILCLKMIZFF-RYUDHWBXSA-N 1 0 240.347 2.389 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000231801568 487475134 /nfs/dbraw/zinc/47/51/34/487475134.db2.gz CYNUQQWYEVFLHN-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO CCC#C[C@H](C)N(C)CCC[NH+]1CCCC1 ZINC000685004126 487491471 /nfs/dbraw/zinc/49/14/71/487491471.db2.gz FYXCOLKQTNICGJ-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1nc(C)n[nH]1 ZINC000657972100 487494792 /nfs/dbraw/zinc/49/47/92/487494792.db2.gz OUFRLXVGNINOGU-QWHCGFSZSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCn1ccnn1 ZINC000657971861 487495038 /nfs/dbraw/zinc/49/50/38/487495038.db2.gz SCPBGISBICEXMV-UONOGXRCSA-N 1 0 248.374 2.393 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCOCCO ZINC000657973194 487497745 /nfs/dbraw/zinc/49/77/45/487497745.db2.gz VNGDIAVATJCCDC-UONOGXRCSA-N 1 0 241.375 2.110 20 30 BEEDRO COCC#CC[N@H+](C)C[C@@H](C)c1ccccc1 ZINC000677818586 487512978 /nfs/dbraw/zinc/51/29/78/487512978.db2.gz RZECWFSCBFLOFG-CQSZACIVSA-N 1 0 231.339 2.372 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)Cn2ccnc2)CCC1 ZINC000276515729 487510811 /nfs/dbraw/zinc/51/08/11/487510811.db2.gz DDYMSEKDWFSTED-GFCCVEGCSA-N 1 0 247.342 2.134 20 30 BEEDRO C=CCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000168516016 487514472 /nfs/dbraw/zinc/51/44/72/487514472.db2.gz UQDJXBIYPHYRAZ-NSHDSACASA-N 1 0 205.301 2.489 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000677820404 487518721 /nfs/dbraw/zinc/51/87/21/487518721.db2.gz MFGWQNYEVKZTGV-CYBMUJFWSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000168566001 487521611 /nfs/dbraw/zinc/52/16/11/487521611.db2.gz HUFRTSGKRBXCQD-UHFFFAOYSA-N 1 0 207.273 2.067 20 30 BEEDRO COCC#CCOc1cc(C)[nH+]c(C)c1C ZINC000655677586 488167170 /nfs/dbraw/zinc/16/71/70/488167170.db2.gz KOWURIXXNJGMPY-UHFFFAOYSA-N 1 0 219.284 2.035 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000680091385 487535231 /nfs/dbraw/zinc/53/52/31/487535231.db2.gz MORQSNGTQRELOP-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000491666533 488036587 /nfs/dbraw/zinc/03/65/87/488036587.db2.gz WRWSMMBGWKRMNH-NEPJUHHUSA-N 1 0 209.333 2.145 20 30 BEEDRO COCC#CC[N@H+](C)Cc1cc(C)ccc1C ZINC000683223678 488134268 /nfs/dbraw/zinc/13/42/68/488134268.db2.gz DIWJPYRUTGIRCQ-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H](CC(C)C)C1 ZINC000677820124 488134568 /nfs/dbraw/zinc/13/45/68/488134568.db2.gz GWYNXSIEDMDIMV-CQSZACIVSA-N 1 0 223.360 2.394 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228139 488135063 /nfs/dbraw/zinc/13/50/63/488135063.db2.gz VQIPNCOICGWPSI-ZIAGYGMSSA-N 1 0 222.376 2.204 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000677819681 488135475 /nfs/dbraw/zinc/13/54/75/488135475.db2.gz KVQFBFZRHBLMSD-OLZOCXBDSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)O ZINC000657878653 488159691 /nfs/dbraw/zinc/15/96/91/488159691.db2.gz HMGXADZESXUHBX-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678219387 488219690 /nfs/dbraw/zinc/21/96/90/488219690.db2.gz BWLUZQBGLGELTH-HUUCEWRRSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCCCCCN1C[C@@H](O)CC(F)(F)C1 ZINC000683787701 488222279 /nfs/dbraw/zinc/22/22/79/488222279.db2.gz VBENJNLPFBKZPA-NSHDSACASA-N 1 0 233.302 2.435 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930569 488246821 /nfs/dbraw/zinc/24/68/21/488246821.db2.gz RVNXUGTYMLZMBJ-GFCCVEGCSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCc1nncn1CC ZINC000678589736 488268923 /nfs/dbraw/zinc/26/89/23/488268923.db2.gz WBKDIEQBXWPQGX-LBPRGKRZSA-N 1 0 236.363 2.175 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000678623555 488273285 /nfs/dbraw/zinc/27/32/85/488273285.db2.gz KNNGPJBXGIIKBP-ZDUSSCGKSA-N 1 0 219.332 2.486 20 30 BEEDRO COCC#CC[N@H+](CC1CC1)CC1CCC1 ZINC000684628462 488335663 /nfs/dbraw/zinc/33/56/63/488335663.db2.gz LALMTMJPSPQZIE-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000679175144 488314762 /nfs/dbraw/zinc/31/47/62/488314762.db2.gz PMRITEDBGCSETO-DGCLKSJQSA-N 1 0 246.358 2.094 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(CO)CC1)C1CC1 ZINC000121510209 490096725 /nfs/dbraw/zinc/09/67/25/490096725.db2.gz CTDGLJCGXWMGFF-GFCCVEGCSA-N 1 0 209.333 2.093 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCC[C@@H]1O ZINC000352659856 490099669 /nfs/dbraw/zinc/09/96/69/490099669.db2.gz OWOOBNABTCNQAG-GJZGRUSLSA-N 1 0 244.338 2.098 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)C1CCC1 ZINC000491792956 490119728 /nfs/dbraw/zinc/11/97/28/490119728.db2.gz IOYBAQOEYAPTCB-GXTWGEPZSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ncn(C)n2)C1 ZINC000651779013 490138611 /nfs/dbraw/zinc/13/86/11/490138611.db2.gz RIUWSFJDMGNXEZ-QJPTWQEYSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000651813067 490143774 /nfs/dbraw/zinc/14/37/74/490143774.db2.gz VQMOKEGWTYLVDJ-STQMWFEESA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000303551038 490167723 /nfs/dbraw/zinc/16/77/23/490167723.db2.gz PXSYTVZTIZSMDS-UHFFFAOYSA-N 1 0 227.254 2.257 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172764204 974934191 /nfs/dbraw/zinc/93/41/91/974934191.db2.gz CZIAPSFUMCUPFB-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO C[N@H+](CCNc1cccc(C#N)n1)C1CCCC1 ZINC000081596152 490284965 /nfs/dbraw/zinc/28/49/65/490284965.db2.gz PBHCSKDAOIAZGT-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NCC#N ZINC000336782405 490370879 /nfs/dbraw/zinc/37/08/79/490370879.db2.gz XNARFIDRJHLWQQ-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000130488509 490389102 /nfs/dbraw/zinc/38/91/02/490389102.db2.gz RGOLUXAKFNRBCY-SNVBAGLBSA-N 1 0 215.300 2.237 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000135492298 490393741 /nfs/dbraw/zinc/39/37/41/490393741.db2.gz FQMPEWWQLRMNQA-SCZZXKLOSA-N 1 0 206.314 2.365 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000651807972 491075752 /nfs/dbraw/zinc/07/57/52/491075752.db2.gz ANUDONGSDDUCIV-WXHSDQCUSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1CCC(O)CC1 ZINC000227616042 491094236 /nfs/dbraw/zinc/09/42/36/491094236.db2.gz FKAJHWXFJPHZBC-PNESKVBLSA-N 1 0 211.349 2.482 20 30 BEEDRO COCC#CC[NH2+][C@H](c1cccs1)C1CC1 ZINC000309630914 491153183 /nfs/dbraw/zinc/15/31/83/491153183.db2.gz HRRLTSFYQBONPI-ZDUSSCGKSA-N 1 0 235.352 2.439 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOC/C=C\Cl ZINC000811667863 582486772 /nfs/dbraw/zinc/48/67/72/582486772.db2.gz FSNOTDIQRXXRBX-AHXSOUMPSA-N 1 0 228.723 2.226 20 30 BEEDRO CC[N@@H+]1CCC(=NOC/C=C\Cl)[C@@H](C)C1 ZINC000811669996 582488296 /nfs/dbraw/zinc/48/82/96/582488296.db2.gz XFBQREDQLWTYBR-PDVXQIRHSA-N 1 0 230.739 2.473 20 30 BEEDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC001172776188 974939039 /nfs/dbraw/zinc/93/90/39/974939039.db2.gz JBDVISATPREFRP-NWDGAFQWSA-N 1 0 238.331 2.002 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1(C)C(C)(C)C1(C)C ZINC000891162914 582617863 /nfs/dbraw/zinc/61/78/63/582617863.db2.gz QGXOEAFDIDBROF-UHFFFAOYSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000451811518 517335195 /nfs/dbraw/zinc/33/51/95/517335195.db2.gz PDFPEJPJUVDZQG-CYBMUJFWSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000186688679 534317814 /nfs/dbraw/zinc/31/78/14/534317814.db2.gz XCDJBYYWLWHUII-GWCFXTLKSA-N 1 0 223.291 2.413 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCOCC1CCCC1 ZINC000561239196 518196232 /nfs/dbraw/zinc/19/62/32/518196232.db2.gz BCCQVCWFEBIRTB-AWEZNQCLSA-N 1 0 249.358 2.226 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261555852 534342345 /nfs/dbraw/zinc/34/23/45/534342345.db2.gz QCZCKIQLQQKWAH-AAEUAGOBSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)nn1C ZINC000284119977 534354542 /nfs/dbraw/zinc/35/45/42/534354542.db2.gz CNIHBEKTSLYXON-CMPLNLGQSA-N 1 0 221.348 2.419 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000122375205 534357978 /nfs/dbraw/zinc/35/79/78/534357978.db2.gz OIFMNUPCMOPCSQ-SDDRHHMPSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348710553 534357079 /nfs/dbraw/zinc/35/70/79/534357079.db2.gz ZXUFBTOYVGOMLX-YDHLFZDLSA-N 1 0 248.370 2.348 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCC[C@H]1O ZINC000305691145 536314406 /nfs/dbraw/zinc/31/44/06/536314406.db2.gz ROLNYPOWFVAVPF-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000358514325 534373900 /nfs/dbraw/zinc/37/39/00/534373900.db2.gz WAEBTLGDIVXFQD-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(CC)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000358624502 534378765 /nfs/dbraw/zinc/37/87/65/534378765.db2.gz LPLLSCVHRCSYQO-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(CC)C[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000360604790 534381496 /nfs/dbraw/zinc/38/14/96/534381496.db2.gz NCLBYCITCRGBNY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000353171386 534382057 /nfs/dbraw/zinc/38/20/57/534382057.db2.gz IHGFQIFETLXTEH-CYBMUJFWSA-N 1 0 238.375 2.333 20 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C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000309115142 534400410 /nfs/dbraw/zinc/40/04/10/534400410.db2.gz LEWJEEJWKCCMMN-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000353626165 534401378 /nfs/dbraw/zinc/40/13/78/534401378.db2.gz XNMCAOCQOYYKCN-STQMWFEESA-N 1 0 234.343 2.225 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000335700049 534402224 /nfs/dbraw/zinc/40/22/24/534402224.db2.gz SKHHMIWYBVQDMI-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348205379 534402415 /nfs/dbraw/zinc/40/24/15/534402415.db2.gz KBOKCBVTELAHAW-DGCLKSJQSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)NC[C@H]([NH3+])CC ZINC000892143153 582800113 /nfs/dbraw/zinc/80/01/13/582800113.db2.gz CIGBJTZHCSEYDB-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@](CO)(CCC)C1 ZINC000377493725 534440300 /nfs/dbraw/zinc/44/03/00/534440300.db2.gz SJCFHWWAEMIEIB-LLVKDONJSA-N 1 0 217.740 2.223 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000367459878 534437256 /nfs/dbraw/zinc/43/72/56/534437256.db2.gz WTPZHVIWYZPTHE-QWRGUYRKSA-N 1 0 215.724 2.382 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000371066490 534439221 /nfs/dbraw/zinc/43/92/21/534439221.db2.gz SGEHWWMTWCJTJX-LBPRGKRZSA-N 1 0 229.751 2.487 20 30 BEEDRO C=C(Cl)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000367606363 534441596 /nfs/dbraw/zinc/44/15/96/534441596.db2.gz WJLXNGLFUVUHIB-VXGBXAGGSA-N 1 0 228.767 2.298 20 30 BEEDRO CCCCCCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000108788259 519961741 /nfs/dbraw/zinc/96/17/41/519961741.db2.gz OHQKIAPHNZKIOA-LBPRGKRZSA-N 1 0 226.364 2.297 20 30 BEEDRO CCCCCCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000059082329 519963471 /nfs/dbraw/zinc/96/34/71/519963471.db2.gz LMDBOFAGDMHTCD-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCCC(=O)N[C@@H](C)C[NH3+] ZINC000114576678 519973114 /nfs/dbraw/zinc/97/31/14/519973114.db2.gz BXHOOOYKRFNKQY-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C=C1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000352030254 534466487 /nfs/dbraw/zinc/46/64/87/534466487.db2.gz UOGUHCYYQPSXBA-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000263212954 534503509 /nfs/dbraw/zinc/50/35/09/534503509.db2.gz ZJLSFEOHEOUTCK-UHFFFAOYSA-N 1 0 218.304 2.020 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341292581 534506954 /nfs/dbraw/zinc/50/69/54/534506954.db2.gz CZNZQEJVTRLFKE-SECBINFHSA-N 1 0 248.351 2.264 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000358324767 534508531 /nfs/dbraw/zinc/50/85/31/534508531.db2.gz XKQVXHCGHCVGSX-CYBMUJFWSA-N 1 0 245.370 2.210 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348090721 534513114 /nfs/dbraw/zinc/51/31/14/534513114.db2.gz XRTIKLGOBVLCLO-VXGBXAGGSA-N 1 0 242.326 2.492 20 30 BEEDRO C=CCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000264088437 534519149 /nfs/dbraw/zinc/51/91/49/534519149.db2.gz KHNAWWHPTOHDNL-UHFFFAOYSA-N 1 0 203.289 2.162 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000359226673 534529988 /nfs/dbraw/zinc/52/99/88/534529988.db2.gz KPIMWSCJCKXSCI-UHFFFAOYSA-N 1 0 248.326 2.199 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000339917763 534533852 /nfs/dbraw/zinc/53/38/52/534533852.db2.gz SODLTWGVBXWTIR-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000339799430 534536104 /nfs/dbraw/zinc/53/61/04/534536104.db2.gz XVTXJDBJVSVFHC-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000335790209 534537144 /nfs/dbraw/zinc/53/71/44/534537144.db2.gz SRUVLJNPTKUJIK-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000352535085 534543613 /nfs/dbraw/zinc/54/36/13/534543613.db2.gz MJFUQHBTAOMJQZ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(CC=C)C(=O)NC(C)(C)CCC[NH3+] ZINC000293741730 534563711 /nfs/dbraw/zinc/56/37/11/534563711.db2.gz VBZXEARXQBSCMP-UHFFFAOYSA-N 1 0 238.375 2.389 20 30 BEEDRO C=CCC(CC=C)C(=O)NC1(C[NH3+])CCCC1 ZINC000238000300 534564331 /nfs/dbraw/zinc/56/43/31/534564331.db2.gz CILIKSYEAWUFOP-UHFFFAOYSA-N 1 0 236.359 2.143 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1CC(C)(C)C1 ZINC000849020668 582828385 /nfs/dbraw/zinc/82/83/85/582828385.db2.gz VPZTXHUGXDSDAQ-UHFFFAOYSA-N 1 0 209.337 2.113 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354440006 534602802 /nfs/dbraw/zinc/60/28/02/534602802.db2.gz SVAWNVOGXIICMZ-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000102466255 534614477 /nfs/dbraw/zinc/61/44/77/534614477.db2.gz MGTBYYXXAMGAFB-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000173045266 534624975 /nfs/dbraw/zinc/62/49/75/534624975.db2.gz RWUXTISKLYCIHH-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1CCSC1 ZINC000494923952 534641803 /nfs/dbraw/zinc/64/18/03/534641803.db2.gz RPTUYVBVLQEXJD-LBPRGKRZSA-N 1 0 224.373 2.365 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336665332 534651334 /nfs/dbraw/zinc/65/13/34/534651334.db2.gz LNGLXDUFKYTFIG-UTUOFQBUSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000358324768 534665478 /nfs/dbraw/zinc/66/54/78/534665478.db2.gz XKQVXHCGHCVGSX-ZDUSSCGKSA-N 1 0 245.370 2.210 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341292585 534666074 /nfs/dbraw/zinc/66/60/74/534666074.db2.gz CZNZQEJVTRLFKE-VIFPVBQESA-N 1 0 248.351 2.264 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(OC)c(O)c(OC)c1 ZINC000159751840 534666470 /nfs/dbraw/zinc/66/64/70/534666470.db2.gz NVYUPTCNIGQQKZ-VIFPVBQESA-N 1 0 237.299 2.074 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356735062 534666628 /nfs/dbraw/zinc/66/66/28/534666628.db2.gz DIYHWSHUVDPABQ-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000179230007 534667405 /nfs/dbraw/zinc/66/74/05/534667405.db2.gz FYRQFAFZWRRMRY-ZDUSSCGKSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000229320983 534668606 /nfs/dbraw/zinc/66/86/06/534668606.db2.gz CPHSNOXYAQIFSL-WDEREUQCSA-N 1 0 205.301 2.487 20 30 BEEDRO C=CCCCCC[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361565061 534676285 /nfs/dbraw/zinc/67/62/85/534676285.db2.gz OPGPFBLPOVKXBC-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccccc1C ZINC000289935898 534683183 /nfs/dbraw/zinc/68/31/83/534683183.db2.gz VSVMECDWHIZJRP-NWDGAFQWSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)C1CCCCC1 ZINC000336773937 534683383 /nfs/dbraw/zinc/68/33/83/534683383.db2.gz ZBYGBRSGGQXZFQ-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000353569521 534684371 /nfs/dbraw/zinc/68/43/71/534684371.db2.gz RAOUZXFKEJUSFT-AGIUHOORSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](OCCCC)C1(C)C ZINC000353580721 534684875 /nfs/dbraw/zinc/68/48/75/534684875.db2.gz XMOGCZJSKRVCSY-AGIUHOORSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCCCC[NH2+]Cc1nc(C#N)cs1 ZINC000308996206 534692598 /nfs/dbraw/zinc/69/25/98/534692598.db2.gz MRCQXAXDKDJUGE-UHFFFAOYSA-N 1 0 221.329 2.461 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000368498435 534721366 /nfs/dbraw/zinc/72/13/66/534721366.db2.gz HUKAEFSNBJHXSW-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377654085 534721399 /nfs/dbraw/zinc/72/13/99/534721399.db2.gz NSFLLGKYLAWZFB-ZDUSSCGKSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000373401305 534722274 /nfs/dbraw/zinc/72/22/74/534722274.db2.gz WUYQVXUYHKSBOX-WCQYABFASA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000280238964 534736406 /nfs/dbraw/zinc/73/64/06/534736406.db2.gz YERZVOYOGWKINV-GFCCVEGCSA-N 1 0 207.321 2.427 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H](CC)Cn1cncn1 ZINC000340538339 534754250 /nfs/dbraw/zinc/75/42/50/534754250.db2.gz VZQVWHLBVNUQHB-OLZOCXBDSA-N 1 0 236.363 2.391 20 30 BEEDRO C=CCC[N@H+](C)CCOc1ccccc1C#N ZINC000338548078 534768365 /nfs/dbraw/zinc/76/83/65/534768365.db2.gz WKOAHQSMXKZKNI-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)COc1cccc(C)c1 ZINC000342767063 534767135 /nfs/dbraw/zinc/76/71/35/534767135.db2.gz VUTKGJJHVAYWFE-CQSZACIVSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000342761433 534771164 /nfs/dbraw/zinc/77/11/64/534771164.db2.gz DWEGCODDVSJAGE-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC(CC)CC ZINC000342719420 534771204 /nfs/dbraw/zinc/77/12/04/534771204.db2.gz JJBRJUPRXRMDDF-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc(C#N)c1 ZINC000120873646 534776103 /nfs/dbraw/zinc/77/61/03/534776103.db2.gz WPXQPZWIKAMXJE-UHFFFAOYSA-N 1 0 230.311 2.241 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000181768468 534777938 /nfs/dbraw/zinc/77/79/38/534777938.db2.gz UZORZSAJDHERMA-LBPRGKRZSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCN(C)CC)C1CC1 ZINC000120568027 534797011 /nfs/dbraw/zinc/79/70/11/534797011.db2.gz UXCTWAFEDCEKRC-CYBMUJFWSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@]1(O)CCSC1)C1CC1 ZINC000121517858 534798069 /nfs/dbraw/zinc/79/80/69/534798069.db2.gz RFQIVWFMGRIGLY-CHWSQXEVSA-N 1 0 241.400 2.189 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)C1CCOCC1 ZINC000343379388 534806572 /nfs/dbraw/zinc/80/65/72/534806572.db2.gz BPSBZIUHLCABTQ-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348519631 534806639 /nfs/dbraw/zinc/80/66/39/534806639.db2.gz DYARUHFKFWEJDF-DCAQKATOSA-N 1 0 249.301 2.063 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000368612272 534848985 /nfs/dbraw/zinc/84/89/85/534848985.db2.gz IWBWOSCGMWQIGX-ZDUSSCGKSA-N 1 0 202.301 2.132 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1cccnc1 ZINC000348051469 534873451 /nfs/dbraw/zinc/87/34/51/534873451.db2.gz MPORIULANRQEMO-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1cccc(C)n1 ZINC000348049047 534873461 /nfs/dbraw/zinc/87/34/61/534873461.db2.gz IJSHOKPBPNFKSU-UHFFFAOYSA-N 1 0 234.343 2.415 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348048012 534874016 /nfs/dbraw/zinc/87/40/16/534874016.db2.gz MNEBRWVGQHGDKU-GFCCVEGCSA-N 1 0 237.347 2.006 20 30 BEEDRO C=CCOCC[N@@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000339200129 534876418 /nfs/dbraw/zinc/87/64/18/534876418.db2.gz DEVNFDOOGVTSQT-CYBMUJFWSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)O[C@H]2CCC[C@H]21 ZINC000339158197 534877805 /nfs/dbraw/zinc/87/78/05/534877805.db2.gz JEZQHARZVUNYJG-OLZOCXBDSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOCC[NH+]1CCC(OCC2CC2)CC1 ZINC000339009823 534878186 /nfs/dbraw/zinc/87/81/86/534878186.db2.gz MWUZUFWREKOINE-UHFFFAOYSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCC[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000339193013 534878321 /nfs/dbraw/zinc/87/83/21/534878321.db2.gz NVBAKJMRQLAZFC-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](C)CO)cc1 ZINC000349274555 534882853 /nfs/dbraw/zinc/88/28/53/534882853.db2.gz GOHXRMQOJGSHAX-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CCN(CC(F)F)CC1 ZINC000132453795 534887343 /nfs/dbraw/zinc/88/73/43/534887343.db2.gz CUHOUVSABUGNCL-SNVBAGLBSA-N 1 0 232.318 2.270 20 30 BEEDRO C=C(C)CC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000496278317 526438488 /nfs/dbraw/zinc/43/84/88/526438488.db2.gz WKUGACPMPPXQHR-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496764143 526443755 /nfs/dbraw/zinc/44/37/55/526443755.db2.gz QRHUJMJEUOBTRE-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493200834 526494433 /nfs/dbraw/zinc/49/44/33/526494433.db2.gz MNEQIPUEDIYYNU-NSHDSACASA-N 1 0 240.347 2.114 20 30 BEEDRO CN1CC[C@@H]2CC[N@H+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676335 536463477 /nfs/dbraw/zinc/46/34/77/536463477.db2.gz ZQMQLHFNNODHLQ-KGLIPLIRSA-N 1 0 249.402 2.342 20 30 BEEDRO C#CC[NH+](CC#C)CC1CCC(F)(F)CC1 ZINC000491815939 526846037 /nfs/dbraw/zinc/84/60/37/526846037.db2.gz GJRYWMFXIJPWSN-UHFFFAOYSA-N 1 0 225.282 2.380 20 30 BEEDRO C#CC[N@@H+](CCC)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000490700394 526900713 /nfs/dbraw/zinc/90/07/13/526900713.db2.gz SLXBBHGXCZCXPM-UPJWGTAASA-N 1 0 221.344 2.145 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCN(C(=O)OC)CC1 ZINC000496324507 526955907 /nfs/dbraw/zinc/95/59/07/526955907.db2.gz JFKJLIVJXRDITG-UHFFFAOYSA-N 1 0 240.347 2.019 20 30 BEEDRO C#CC[NH2+][C@H](c1ccnc(Cl)c1)C1CC1 ZINC000308872765 527061531 /nfs/dbraw/zinc/06/15/31/527061531.db2.gz LHDAGVTWBKVYPB-LBPRGKRZSA-N 1 0 220.703 2.409 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177548041 527111017 /nfs/dbraw/zinc/11/10/17/527111017.db2.gz FECAFJIMUSDISU-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCCC[N@H+]1CCSC[C@@H]1CO ZINC000488171342 527134737 /nfs/dbraw/zinc/13/47/37/527134737.db2.gz YDYSBTPQBLUMQX-LBPRGKRZSA-N 1 0 229.389 2.143 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000308859366 527141016 /nfs/dbraw/zinc/14/10/16/527141016.db2.gz QYWKANNTJLEUNN-RWMBFGLXSA-N 1 0 213.365 2.441 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000497025003 527196597 /nfs/dbraw/zinc/19/65/97/527196597.db2.gz HSCUCLHPKVOLCN-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000488118441 527275604 /nfs/dbraw/zinc/27/56/04/527275604.db2.gz ZQCLLFFGPVCJDU-YNEHKIRRSA-N 1 0 227.348 2.077 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)C(C)C ZINC000300912572 527291339 /nfs/dbraw/zinc/29/13/39/527291339.db2.gz MAHRKQBRHXJMGF-ZIAGYGMSSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@@H]([NH2+]CC[C@H]1CCOC1)C(C)(C)C ZINC000309080184 527289865 /nfs/dbraw/zinc/28/98/65/527289865.db2.gz OHQXSNOWWMEVJL-NWDGAFQWSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(OC)c1)C(C)C ZINC000300985994 527291166 /nfs/dbraw/zinc/29/11/66/527291166.db2.gz UWRIWVPBXDCRQD-CQSZACIVSA-N 1 0 217.312 2.443 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)cn1)C(C)C ZINC000300874766 527291656 /nfs/dbraw/zinc/29/16/56/527291656.db2.gz IAXZYVOIANGLDP-CYBMUJFWSA-N 1 0 202.301 2.137 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1ccccc1C(C)=O ZINC000491691390 527333044 /nfs/dbraw/zinc/33/30/44/527333044.db2.gz DXLVIZIZSLOIQX-LBPRGKRZSA-N 1 0 245.322 2.222 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000491638834 527333485 /nfs/dbraw/zinc/33/34/85/527333485.db2.gz ZXUQSVWSPLYEDO-QWHCGFSZSA-N 1 0 221.344 2.432 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])N1CCC(C)CC1 ZINC000491697358 527363973 /nfs/dbraw/zinc/36/39/73/527363973.db2.gz AXYPWXWECIGNGW-GFCCVEGCSA-N 1 0 221.348 2.045 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000300838631 527409860 /nfs/dbraw/zinc/40/98/60/527409860.db2.gz CXHPELCRHZIMFJ-LBPRGKRZSA-N 1 0 218.325 2.367 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccnc1C)C(C)C ZINC000309014281 527410877 /nfs/dbraw/zinc/41/08/77/527410877.db2.gz QJKGQALOCKLSFK-ZDUSSCGKSA-N 1 0 202.301 2.137 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000301010580 527413211 /nfs/dbraw/zinc/41/32/11/527413211.db2.gz YTDPMXWRURKIAX-OLZOCXBDSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404040254 527472331 /nfs/dbraw/zinc/47/23/31/527472331.db2.gz HHZQPOKXDICXSP-CYBMUJFWSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000472930643 527493953 /nfs/dbraw/zinc/49/39/53/527493953.db2.gz FXWQOCXECGKERE-OLZOCXBDSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@H]1CC ZINC000472576960 527494032 /nfs/dbraw/zinc/49/40/32/527494032.db2.gz IYPIBSQWZTXRNX-UPJWGTAASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000496085710 527572979 /nfs/dbraw/zinc/57/29/79/527572979.db2.gz XXPQLJQRWXLJOX-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000494687362 527574536 /nfs/dbraw/zinc/57/45/36/527574536.db2.gz CEXMHFXUZONTSD-UHFFFAOYSA-N 1 0 236.271 2.221 20 30 BEEDRO CC(C)C1(CNC(=[NH2+])N2CCC(C)CC2)CC1 ZINC000304853960 527598772 /nfs/dbraw/zinc/59/87/72/527598772.db2.gz UJKYOXGJKONSMW-UHFFFAOYSA-N 1 0 237.391 2.469 20 30 BEEDRO CC(C)O[C@H]1C[C@H]([NH2+]CCCC#N)C1(C)C ZINC000309335423 534932861 /nfs/dbraw/zinc/93/28/61/534932861.db2.gz IWMGGWQRUWSPOM-RYUDHWBXSA-N 1 0 224.348 2.472 20 30 BEEDRO CCCCCCC[N@@H+]1CCCN(C(N)=O)CC1 ZINC000177024798 534985399 /nfs/dbraw/zinc/98/53/99/534985399.db2.gz BAJWBJAPVFOIND-UHFFFAOYSA-N 1 0 241.379 2.043 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000309531566 534990023 /nfs/dbraw/zinc/99/00/23/534990023.db2.gz BXGFFOWIQUSMSP-WCQYABFASA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CC([C@H]2CCOC2)C1 ZINC000376134226 534996680 /nfs/dbraw/zinc/99/66/80/534996680.db2.gz PNOHCVUZFZVFCR-LBPRGKRZSA-N 1 0 236.359 2.285 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000371138081 535006473 /nfs/dbraw/zinc/00/64/73/535006473.db2.gz DTODHVVYBSQGCR-LBPRGKRZSA-N 1 0 246.358 2.187 20 30 BEEDRO CCC(CC)C[N@@H+](CCC#N)CCCO ZINC000173549998 535021347 /nfs/dbraw/zinc/02/13/47/535021347.db2.gz JWCLZIJUQJDDET-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO CC(C)[N@H+](CCC(C)(C)C#N)[C@H]1CCOC1 ZINC000361414506 535052956 /nfs/dbraw/zinc/05/29/56/535052956.db2.gz KJLFKSJFSGFLEN-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCO[C@@H]21 ZINC000349375747 535078046 /nfs/dbraw/zinc/07/80/46/535078046.db2.gz CXAKMECMDSMCAY-OFTGVCEQSA-N 1 0 234.343 2.082 20 30 BEEDRO CC1(CNC(=[NH2+])Nc2ccccn2)CCCC1 ZINC000178571993 535098512 /nfs/dbraw/zinc/09/85/12/535098512.db2.gz WHBINHANWZHXBQ-UHFFFAOYSA-N 1 0 232.331 2.389 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(F)c(F)c1 ZINC000265501609 535227370 /nfs/dbraw/zinc/22/73/70/535227370.db2.gz XXAXDVZFRRNTQE-UHFFFAOYSA-N 1 0 214.215 2.164 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(F)cc1F ZINC000264055210 535261501 /nfs/dbraw/zinc/26/15/01/535261501.db2.gz ANWVOTIYLGXPSJ-UHFFFAOYSA-N 1 0 241.285 2.169 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(OCC)cc1 ZINC000264120136 535261696 /nfs/dbraw/zinc/26/16/96/535261696.db2.gz QXPIMAXXQBHTQX-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO CC(C)[C@]1(CO)CC[N@H+](CCCCC#N)C1 ZINC000377624728 535311537 /nfs/dbraw/zinc/31/15/37/535311537.db2.gz HCLURLGUCYAVPR-CYBMUJFWSA-N 1 0 224.348 2.021 20 30 BEEDRO CCCN(CCCC#N)CC[NH+](CC)CC ZINC000122573107 535328498 /nfs/dbraw/zinc/32/84/98/535328498.db2.gz RTCMPRRGAOJYJZ-UHFFFAOYSA-N 1 0 225.380 2.344 20 30 BEEDRO CC1(C)CC[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261595722 535329046 /nfs/dbraw/zinc/32/90/46/535329046.db2.gz YIBILNYKWWOSDJ-LLVKDONJSA-N 1 0 223.364 2.412 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1cccc(Cl)c1 ZINC000264059892 535389597 /nfs/dbraw/zinc/38/95/97/535389597.db2.gz CLVYVIIQMQRAIM-UHFFFAOYSA-N 1 0 239.750 2.497 20 30 BEEDRO CCNC(=[NH2+])NC1CC(C)(c2ccccc2)C1 ZINC000267386571 535422106 /nfs/dbraw/zinc/42/21/06/535422106.db2.gz BSZNAFYBPXTVQW-UHFFFAOYSA-N 1 0 231.343 2.031 20 30 BEEDRO CCOCC[N@H+](CC)[C@H]1CC[C@H](C#N)C1 ZINC000338981291 535589003 /nfs/dbraw/zinc/58/90/03/535589003.db2.gz KYIZXAHZBXSIMW-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CCOC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000348445183 535670052 /nfs/dbraw/zinc/67/00/52/535670052.db2.gz RDWGWSNLQCVPKB-QWHCGFSZSA-N 1 0 237.347 2.081 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](COC)CC(C)C ZINC000309164148 535727912 /nfs/dbraw/zinc/72/79/12/535727912.db2.gz IFJFWERJLUCXSU-RYUDHWBXSA-N 1 0 212.337 2.329 20 30 BEEDRO CCC[C@]1(CO)CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339206711 535769143 /nfs/dbraw/zinc/76/91/43/535769143.db2.gz WWEMVNOMDZBJTE-MJBXVCDLSA-N 1 0 236.359 2.163 20 30 BEEDRO CCNC(N[C@@H]1c2ccccc2O[C@H]1C)=[NH+]CC ZINC000262310582 535787039 /nfs/dbraw/zinc/78/70/39/535787039.db2.gz SJENCHHDHLKYSZ-GWCFXTLKSA-N 1 0 247.342 2.084 20 30 BEEDRO CC[C@@H]([NH2+]CCOCCC#N)C(C)(C)C ZINC000339074258 535804108 /nfs/dbraw/zinc/80/41/08/535804108.db2.gz BQSPACOAAIADAJ-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CCc1noc(C)c1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000340444988 535884307 /nfs/dbraw/zinc/88/43/07/535884307.db2.gz RONGFSAESIKJAL-GHMZBOCLSA-N 1 0 233.315 2.327 20 30 BEEDRO CCc1noc(C)c1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000340444991 535884483 /nfs/dbraw/zinc/88/44/83/535884483.db2.gz RONGFSAESIKJAL-MNOVXSKESA-N 1 0 233.315 2.327 20 30 BEEDRO C[NH+](C)Cc1ccc(NC(=O)C(C)(C)C#N)cc1 ZINC000298884455 536012485 /nfs/dbraw/zinc/01/24/85/536012485.db2.gz VHZVMCOOGFWLCQ-UHFFFAOYSA-N 1 0 245.326 2.236 20 30 BEEDRO C[NH+](C)Cc1cccc(NC(=O)CCCC#N)c1 ZINC000359981047 536037116 /nfs/dbraw/zinc/03/71/16/536037116.db2.gz JYEBEYQMJCDOFR-UHFFFAOYSA-N 1 0 245.326 2.381 20 30 BEEDRO CC[C@@]1(C)CCN(C(NCc2ccco2)=[NH+]C)C1 ZINC000261789244 536040651 /nfs/dbraw/zinc/04/06/51/536040651.db2.gz QFRKQWNICNQDOX-AWEZNQCLSA-N 1 0 249.358 2.477 20 30 BEEDRO CC[C@@]1(C)CC[N@H+](CCOCCC#N)C1 ZINC000339018309 536049109 /nfs/dbraw/zinc/04/91/09/536049109.db2.gz VZVIJSOJEAAAQS-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@H](CSC)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308571077 536127315 /nfs/dbraw/zinc/12/73/15/536127315.db2.gz BXZQBQJEINRXTB-MXWKQRLJSA-N 1 0 212.362 2.410 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@@H](O)Cc1ccccc1 ZINC000293504098 536328944 /nfs/dbraw/zinc/32/89/44/536328944.db2.gz ZXORQDCEGVWOEL-HNNXBMFYSA-N 1 0 246.354 2.216 20 30 BEEDRO CN(CCC[NH+]1CCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000339156832 536346839 /nfs/dbraw/zinc/34/68/39/536346839.db2.gz VYRMYNZLTQEHAA-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO CO[C@H](CO[NH+]=C(N)C(C)C)c1ccccc1 ZINC000283362674 536648822 /nfs/dbraw/zinc/64/88/22/536648822.db2.gz LKXKYLDSSWKVQD-GFCCVEGCSA-N 1 0 236.315 2.319 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C(C)C)cc1 ZINC000263123920 536655545 /nfs/dbraw/zinc/65/55/45/536655545.db2.gz MHWRWNVEVKEAQP-QWHCGFSZSA-N 1 0 247.342 2.466 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339095669 536742530 /nfs/dbraw/zinc/74/25/30/536742530.db2.gz FEQZVYVWWQTCCJ-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO COCc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000264069227 536764443 /nfs/dbraw/zinc/76/44/43/536764443.db2.gz CSAMPZGVLLUFAZ-UHFFFAOYSA-N 1 0 249.358 2.036 20 30 BEEDRO COCC1(C[N@H+](CCC#N)CC2CC2)CCC1 ZINC000361310907 536820176 /nfs/dbraw/zinc/82/01/76/536820176.db2.gz VHVHLVPRWUVZFI-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@@H]1CC[C@@H](C)C1 ZINC000362165041 536835354 /nfs/dbraw/zinc/83/53/54/536835354.db2.gz UCXZBPRTEUFYOJ-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@@H]1CC[C@H](C)C1 ZINC000362165043 536834414 /nfs/dbraw/zinc/83/44/14/536834414.db2.gz UCXZBPRTEUFYOJ-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO COC[C@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000336762069 536874024 /nfs/dbraw/zinc/87/40/24/536874024.db2.gz KXZUPAIHHFGPNM-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000134937017 538114106 /nfs/dbraw/zinc/11/41/06/538114106.db2.gz XUVFAZWLXVFGGE-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1nc(C)c(C)s1 ZINC000893282047 583083864 /nfs/dbraw/zinc/08/38/64/583083864.db2.gz BRTQEZLKNVGBPA-LLVKDONJSA-N 1 0 240.372 2.034 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CSCCC)[C@@H]1CCCO1 ZINC000893677957 583196105 /nfs/dbraw/zinc/19/61/05/583196105.db2.gz YNFALJNJEYZGPK-AVGNSLFASA-N 1 0 241.400 2.289 20 30 BEEDRO C#Cc1cccnc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000853162027 588723096 /nfs/dbraw/zinc/72/30/96/588723096.db2.gz KUSRWEWEYXPUAL-CYBMUJFWSA-N 1 0 243.354 2.207 20 30 BEEDRO C#Cc1cccnc1N[C@@H](C)C[NH+](CC)CC ZINC000853233531 588728112 /nfs/dbraw/zinc/72/81/12/588728112.db2.gz HHUNGNLVRVFUDK-LBPRGKRZSA-N 1 0 231.343 2.205 20 30 BEEDRO FC(F)(F)[C@@H]1CCC[C@@H](C=[NH+]n2cnnc2)C1 ZINC000853253865 588729408 /nfs/dbraw/zinc/72/94/08/588729408.db2.gz HIIBOXWPOPNALX-RKDXNWHRSA-N 1 0 246.236 2.481 20 30 BEEDRO C#Cc1cccnc1NC[C@@H]1CCCC[N@H+]1CC ZINC000853313884 588732133 /nfs/dbraw/zinc/73/21/33/588732133.db2.gz PWEVEVQCRPXNMW-AWEZNQCLSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCC(C3CCC3)CC2)=[NH+]1 ZINC000853329531 588733445 /nfs/dbraw/zinc/73/34/45/588733445.db2.gz BANWQYTUIOMIJA-RWANSRKNSA-N 1 0 248.374 2.270 20 30 BEEDRO C#Cc1cccnc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000853375175 588738835 /nfs/dbraw/zinc/73/88/35/588738835.db2.gz DLEDHZPJSGPUSS-LBPRGKRZSA-N 1 0 245.370 2.451 20 30 BEEDRO C[C@H]1CCCCN1N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000853381161 588739659 /nfs/dbraw/zinc/73/96/59/588739659.db2.gz XQCCIQZSURZOLF-RYUDHWBXSA-N 1 0 223.364 2.331 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(Cl)cn2)C[N@@H+]1C ZINC000853437644 588742475 /nfs/dbraw/zinc/74/24/75/588742475.db2.gz QJPFYOBOICPJLI-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[C@H]1CC(=NOCC2CCC2)C[N@@H+]1C1CC1 ZINC000853439123 588742736 /nfs/dbraw/zinc/74/27/36/588742736.db2.gz BQGRHGWUMWIIEG-JTQLQIEISA-N 1 0 222.332 2.416 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cn1cc[nH]c1=S ZINC000853597511 588750199 /nfs/dbraw/zinc/75/01/99/588750199.db2.gz AQAQXHJJSMLUTG-PHIMTYICSA-N 1 0 235.356 2.312 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@@H](C)[C@H](C)C1=O ZINC000853598379 588750242 /nfs/dbraw/zinc/75/02/42/588750242.db2.gz QCURSOAXFTYIPR-RQJABVFESA-N 1 0 248.370 2.241 20 30 BEEDRO C=CCCC[N@@H+](C)CN1CC[C@H](C(C)C)C1=O ZINC000853497036 588746377 /nfs/dbraw/zinc/74/63/77/588746377.db2.gz OIAGYUOBRSNMAX-CYBMUJFWSA-N 1 0 238.375 2.346 20 30 BEEDRO C#Cc1cccnc1NC1CCC([NH+](C)C)CC1 ZINC000853696615 588757333 /nfs/dbraw/zinc/75/73/33/588757333.db2.gz JSBILDRPTNAOEU-UHFFFAOYSA-N 1 0 243.354 2.348 20 30 BEEDRO C=C1CCC(C(=O)OCCC[NH+](C)C)CC1 ZINC000885650151 588770183 /nfs/dbraw/zinc/77/01/83/588770183.db2.gz XGVMEKYESMDKLQ-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000111860548 588772455 /nfs/dbraw/zinc/77/24/55/588772455.db2.gz BEQBIGIOINHDSF-LBPRGKRZSA-N 1 0 247.404 2.124 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334458 582459231 /nfs/dbraw/zinc/45/92/31/582459231.db2.gz NQILRQZODWSFRN-UNQGMJICSA-N 1 0 235.371 2.439 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)CC ZINC000855367091 588829352 /nfs/dbraw/zinc/82/93/52/588829352.db2.gz BADMARPCAGXVPM-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOC1CCC1 ZINC000812235188 582496920 /nfs/dbraw/zinc/49/69/20/582496920.db2.gz OQGBGSKVMBJFHY-SECBINFHSA-N 1 0 208.305 2.026 20 30 BEEDRO CC[N@@H+]1CCC(=NOCCOC(C)C)[C@@H](C)C1 ZINC000812238413 582498754 /nfs/dbraw/zinc/49/87/54/582498754.db2.gz UFLKUKGKYZKYIG-LBPRGKRZSA-N 1 0 242.363 2.146 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000891269148 582648599 /nfs/dbraw/zinc/64/85/99/582648599.db2.gz FQXFMPXRKUPEGX-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC(C)(C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000891269991 582649238 /nfs/dbraw/zinc/64/92/38/582649238.db2.gz WYQHOWMESPZGRP-UHFFFAOYSA-N 1 0 246.354 2.443 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000891269909 582649416 /nfs/dbraw/zinc/64/94/16/582649416.db2.gz VDPWWSVGAPHECM-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO Cc1cc(CN(C)C[C@@H](C)C#N)cnc1F ZINC000891716093 582712861 /nfs/dbraw/zinc/71/28/61/582712861.db2.gz LLCSCIGZJNBTTH-VIFPVBQESA-N 1 0 221.279 2.121 20 30 BEEDRO CCOCC[N@H+](CC)Cc1csc(C#N)c1 ZINC000891819562 582726857 /nfs/dbraw/zinc/72/68/57/582726857.db2.gz YHRPZAJVCZLHTD-UHFFFAOYSA-N 1 0 238.356 2.478 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000848923160 582814762 /nfs/dbraw/zinc/81/47/62/582814762.db2.gz ACRCFZBOZQLXIN-LBPRGKRZSA-N 1 0 215.296 2.237 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@@]1(C)c1ccccc1)N(C)C ZINC000849010649 582823640 /nfs/dbraw/zinc/82/36/40/582823640.db2.gz VOQMODQGGGTHDU-ZFWWWQNUSA-N 1 0 245.370 2.196 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC000135534210 582827087 /nfs/dbraw/zinc/82/70/87/582827087.db2.gz LKNGVGVBVOGOAT-MWLCHTKSSA-N 1 0 218.275 2.443 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cccc(CC)c1 ZINC000849048243 582841887 /nfs/dbraw/zinc/84/18/87/582841887.db2.gz FMLGPNJNUARWQJ-UHFFFAOYSA-N 1 0 217.316 2.049 20 30 BEEDRO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000892674521 582949015 /nfs/dbraw/zinc/94/90/15/582949015.db2.gz WTHQQCQRWLCNDD-NEPJUHHUSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1cc(C#N)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000892674523 582949021 /nfs/dbraw/zinc/94/90/21/582949021.db2.gz WTHQQCQRWLCNDD-RYUDHWBXSA-N 1 0 244.342 2.156 20 30 BEEDRO Cn1ncc(C[NH2+]CCCCC#N)c1C1CC1 ZINC000892929761 583011205 /nfs/dbraw/zinc/01/12/05/583011205.db2.gz KUZXWQWGENYGPI-UHFFFAOYSA-N 1 0 232.331 2.081 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(CC)nc1C ZINC000892951058 583017482 /nfs/dbraw/zinc/01/74/82/583017482.db2.gz RBEHILHYQODQAI-SNVBAGLBSA-N 1 0 207.321 2.266 20 30 BEEDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000893077519 583043544 /nfs/dbraw/zinc/04/35/44/583043544.db2.gz LFEKAWMHLDKOCG-MNOVXSKESA-N 1 0 246.310 2.160 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000893111658 583051213 /nfs/dbraw/zinc/05/12/13/583051213.db2.gz AHKGOBWKVCFJBE-CIUDSAMLSA-N 1 0 218.138 2.324 20 30 BEEDRO CCCCCCCCC(=O)NC[C@H](C)C[NH3+] ZINC000114576352 588876137 /nfs/dbraw/zinc/87/61/37/588876137.db2.gz CJLMZRNBRNSAFF-GFCCVEGCSA-N 1 0 228.380 2.448 20 30 BEEDRO C#C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCCO1 ZINC000775341626 583087014 /nfs/dbraw/zinc/08/70/14/583087014.db2.gz MLJKYNIJKZJSOJ-DAASWOGBSA-N 1 0 241.334 2.470 20 30 BEEDRO [NH2+]=C(NCCc1ccc(F)cc1)N1CCCCC1 ZINC000104153509 583111518 /nfs/dbraw/zinc/11/15/18/583111518.db2.gz HMCVKJLILUYSJH-UHFFFAOYSA-N 1 0 249.333 2.169 20 30 BEEDRO C[C@H]1CCC[N@@H+]1CCNCC#Cc1ccccc1 ZINC000893356533 583121179 /nfs/dbraw/zinc/12/11/79/583121179.db2.gz MMSMJCPUOHJBNM-HNNXBMFYSA-N 1 0 242.366 2.112 20 30 BEEDRO C#CC[NH+](CC#C)Cc1ccc(N(C)C)cc1C ZINC000840918699 583126513 /nfs/dbraw/zinc/12/65/13/583126513.db2.gz ZBAXHMFEWNCRGM-UHFFFAOYSA-N 1 0 240.350 2.129 20 30 BEEDRO COCCCC1(C[NH2+]C[C@@H](C)C#N)CCC1 ZINC000893544125 583160019 /nfs/dbraw/zinc/16/00/19/583160019.db2.gz JSMZTERSHNOFHB-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@H]1C[C@]1(C)Br ZINC000893550464 583162637 /nfs/dbraw/zinc/16/26/37/583162637.db2.gz CYEPCKNXPZEDBN-SCZZXKLOSA-N 1 0 245.164 2.299 20 30 BEEDRO Cc1noc2ncc(CN(C)C[C@@H](C)C#N)cc12 ZINC000893961677 583256606 /nfs/dbraw/zinc/25/66/06/583256606.db2.gz IDOIFPGRULCCDT-VIFPVBQESA-N 1 0 244.298 2.123 20 30 BEEDRO C=CCC(C)(C)CNc1cc[nH+]cc1CO ZINC000893971735 583263459 /nfs/dbraw/zinc/26/34/59/583263459.db2.gz FOYATEFJMMNTRV-UHFFFAOYSA-N 1 0 220.316 2.010 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cnn(CC2CCC2)c1 ZINC000894059930 583291376 /nfs/dbraw/zinc/29/13/76/583291376.db2.gz NDUIVIUKSXKSNE-GFCCVEGCSA-N 1 0 231.343 2.137 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000894084802 583294982 /nfs/dbraw/zinc/29/49/82/583294982.db2.gz VZKGXXAPSLWRBL-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000877303814 583309479 /nfs/dbraw/zinc/30/94/79/583309479.db2.gz NFHWLQLQRNKKOC-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000877512874 583319741 /nfs/dbraw/zinc/31/97/41/583319741.db2.gz FAXKDFXOVHPLEF-KGLIPLIRSA-N 1 0 228.339 2.330 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)cccc1O)C(C)C ZINC000877513042 583320043 /nfs/dbraw/zinc/32/00/43/583320043.db2.gz JYGGOXSTJUFKQG-CYBMUJFWSA-N 1 0 217.312 2.448 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877514470 583320175 /nfs/dbraw/zinc/32/01/75/583320175.db2.gz OXMOBNKMSNAVDN-JTQLQIEISA-N 1 0 232.283 2.323 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](OC)C1CCCC1)C(C)C ZINC000877513328 583321272 /nfs/dbraw/zinc/32/12/72/583321272.db2.gz RNGVYBSVGLVCKY-KBPBESRZSA-N 1 0 223.360 2.439 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cn3ccnc3s2)CC1 ZINC000894197837 583336613 /nfs/dbraw/zinc/33/66/13/583336613.db2.gz QKINNZUZSHUFGI-UHFFFAOYSA-N 1 0 246.339 2.179 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000104188501 583346011 /nfs/dbraw/zinc/34/60/11/583346011.db2.gz VFDGEPPBMQSAHM-ZDUSSCGKSA-N 1 0 240.391 2.415 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000878406958 583372871 /nfs/dbraw/zinc/37/28/71/583372871.db2.gz HLUMSNSJDYOPKA-CHWSQXEVSA-N 1 0 239.359 2.426 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000878676800 583391893 /nfs/dbraw/zinc/39/18/93/583391893.db2.gz ZVQDXGOJGPWJNC-XQQFMLRXSA-N 1 0 237.343 2.021 20 30 BEEDRO C=CC[N@H+](CC1CCCCC1)CN1CCC1=O ZINC000857233141 588898322 /nfs/dbraw/zinc/89/83/22/588898322.db2.gz XNGVYWRJXNZWOC-UHFFFAOYSA-N 1 0 236.359 2.245 20 30 BEEDRO CC(C)(O)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000879628233 583441749 /nfs/dbraw/zinc/44/17/49/583441749.db2.gz MIKBAINAPHBNEP-WCQYABFASA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000894383732 583442624 /nfs/dbraw/zinc/44/26/24/583442624.db2.gz OFHVPDFNOLRYAG-LLVKDONJSA-N 1 0 231.343 2.189 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000894385310 583443320 /nfs/dbraw/zinc/44/33/20/583443320.db2.gz ZRQYOPYAODDWBL-LBPRGKRZSA-N 1 0 212.296 2.286 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc(F)c(C)c1 ZINC000894386808 583443402 /nfs/dbraw/zinc/44/34/02/583443402.db2.gz FOLVUBDSTUZCNU-LLVKDONJSA-N 1 0 206.264 2.031 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(CC2CCC2)c1)C(C)C ZINC000894386776 583443557 /nfs/dbraw/zinc/44/35/57/583443557.db2.gz DNLRKTQJRHHGIX-OAHLLOKOSA-N 1 0 245.370 2.431 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(F)cc1C)C(C)C ZINC000894387046 583443691 /nfs/dbraw/zinc/44/36/91/583443691.db2.gz HSTFFFLIMMGCBP-LBPRGKRZSA-N 1 0 220.291 2.277 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn(C)nc1C1CC1)C(C)C ZINC000894387504 583444548 /nfs/dbraw/zinc/44/45/48/583444548.db2.gz OAPYSVHNGZELBI-ZDUSSCGKSA-N 1 0 231.343 2.045 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000894427019 583457206 /nfs/dbraw/zinc/45/72/06/583457206.db2.gz FLAGXZACLQEVAZ-BJHJDKERSA-N 1 0 244.342 2.014 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc2c1NCCC2 ZINC000894443767 583461319 /nfs/dbraw/zinc/46/13/19/583461319.db2.gz DNJAOKWYGZXHIS-UHFFFAOYSA-N 1 0 229.327 2.438 20 30 BEEDRO C=CCCCNC(=O)NCC[NH2+]C(CC)CC ZINC000894511920 583475639 /nfs/dbraw/zinc/47/56/39/583475639.db2.gz QMNIJBKEJFAHQA-UHFFFAOYSA-N 1 0 241.379 2.030 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)NC(CF)CF ZINC000894666063 583501951 /nfs/dbraw/zinc/50/19/51/583501951.db2.gz FCUFNAYHUUUQCL-QMMMGPOBSA-N 1 0 204.264 2.212 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2nccn2C2CC2)C1 ZINC000894691990 583507528 /nfs/dbraw/zinc/50/75/28/583507528.db2.gz MRQDZPNVXVTIAB-RYUDHWBXSA-N 1 0 244.342 2.390 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)c1ccccc1C ZINC000857746167 588907502 /nfs/dbraw/zinc/90/75/02/588907502.db2.gz XZCYOHPXXWOSCB-UHFFFAOYSA-N 1 0 232.327 2.076 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccnc(OC)c1F ZINC000894710901 583512168 /nfs/dbraw/zinc/51/21/68/583512168.db2.gz DWTZLHLDDHSBBE-UHFFFAOYSA-N 1 0 224.279 2.285 20 30 BEEDRO CC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)[C@@H](C)O ZINC000894734930 583514165 /nfs/dbraw/zinc/51/41/65/583514165.db2.gz MFVUSMCGTHQLEQ-DOMZBBRYSA-N 1 0 246.354 2.424 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(OCC)o1 ZINC000894769468 583516934 /nfs/dbraw/zinc/51/69/34/583516934.db2.gz MWBNSLDPPWHJDC-LLVKDONJSA-N 1 0 239.315 2.095 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CSCCC ZINC000894769482 583516958 /nfs/dbraw/zinc/51/69/58/583516958.db2.gz NEUXZSOLKQKDFS-RYUDHWBXSA-N 1 0 231.405 2.435 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(OC)cn1 ZINC000894776097 583518709 /nfs/dbraw/zinc/51/87/09/583518709.db2.gz UWSFRPRKSCZSJX-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)[C@H]1C ZINC000894861229 583534416 /nfs/dbraw/zinc/53/44/16/583534416.db2.gz CDDQURHKTPMBES-RYUDHWBXSA-N 1 0 243.354 2.464 20 30 BEEDRO CC1([NH+]2CCC2)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000880473239 583542205 /nfs/dbraw/zinc/54/22/05/583542205.db2.gz ACWNSESRGAXQQL-ZIAGYGMSSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1COCO1 ZINC000894879203 583542770 /nfs/dbraw/zinc/54/27/70/583542770.db2.gz RMKQXGDIFURETQ-OLZOCXBDSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1c(C)cccc1OC ZINC000894931050 583556051 /nfs/dbraw/zinc/55/60/51/583556051.db2.gz FGOBEBGIXOJYEC-ZDUSSCGKSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894931263 583556066 /nfs/dbraw/zinc/55/60/66/583556066.db2.gz GECMENTUFXQYSV-LBPRGKRZSA-N 1 0 235.327 2.117 20 30 BEEDRO Cc1ccnc(N)c1C[NH2+]CC(C)(C)CC#N ZINC000894984308 583564416 /nfs/dbraw/zinc/56/44/16/583564416.db2.gz GKVRNAJLXICIMP-UHFFFAOYSA-N 1 0 232.331 2.002 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000895006124 583565961 /nfs/dbraw/zinc/56/59/61/583565961.db2.gz MAKAPYQKKISLKM-HOTGVXAUSA-N 1 0 241.334 2.219 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)N(C)OC ZINC000895046665 583571648 /nfs/dbraw/zinc/57/16/48/583571648.db2.gz PPXRPRZCUVCCJO-LBPRGKRZSA-N 1 0 242.363 2.121 20 30 BEEDRO C[C@H](CC#N)N[NH+]=C1CCCc2ccc(N)cc21 ZINC000814883403 583583022 /nfs/dbraw/zinc/58/30/22/583583022.db2.gz MLFPWMNCNZHMLD-SNVBAGLBSA-N 1 0 242.326 2.201 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CCC(F)(F)F ZINC000895096143 583587936 /nfs/dbraw/zinc/58/79/36/583587936.db2.gz MJZPISYNHIHUDA-VHSXEESVSA-N 1 0 237.265 2.081 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)CC#CC ZINC000895096593 583587990 /nfs/dbraw/zinc/58/79/90/583587990.db2.gz NVDUBBSVCDLRLF-UONOGXRCSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000895097107 583588155 /nfs/dbraw/zinc/58/81/55/583588155.db2.gz MFGNZJDDQQOWPA-BZUAXINKSA-N 1 0 243.350 2.154 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000895103276 583589011 /nfs/dbraw/zinc/58/90/11/583589011.db2.gz QSAYXVZEMVERME-GDBMZVCRSA-N 1 0 245.366 2.462 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)CC#CC ZINC000895101047 583589165 /nfs/dbraw/zinc/58/91/65/583589165.db2.gz YYQXFTBAQVAMDF-KBPBESRZSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(OC)o2)CC1 ZINC000895114544 583591411 /nfs/dbraw/zinc/59/14/11/583591411.db2.gz HLIXKVYXCQXVTP-UHFFFAOYSA-N 1 0 219.284 2.133 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857864214 588915085 /nfs/dbraw/zinc/91/50/85/588915085.db2.gz FTQYALPVXPVDII-NSHDSACASA-N 1 0 205.305 2.343 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CC)C(=O)OC ZINC000895128802 583600233 /nfs/dbraw/zinc/60/02/33/583600233.db2.gz XFEPWSKEVLCHFV-MNOVXSKESA-N 1 0 213.321 2.130 20 30 BEEDRO CCCCCC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160133 583609044 /nfs/dbraw/zinc/60/90/44/583609044.db2.gz KNPGPOQEIDGLEI-VXGBXAGGSA-N 1 0 242.363 2.315 20 30 BEEDRO OCC1(CC[NH2+]CC#Cc2ccccc2)CCC1 ZINC000895179621 583616983 /nfs/dbraw/zinc/61/69/83/583616983.db2.gz FDRSTGWTHFWUHC-UHFFFAOYSA-N 1 0 243.350 2.180 20 30 BEEDRO CCCC[C@@H]1CCCC1=[NH+]n1cnnc1 ZINC000727252218 583625133 /nfs/dbraw/zinc/62/51/33/583625133.db2.gz TZZUOSLVJMXIDS-SNVBAGLBSA-N 1 0 206.293 2.473 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)c2cnccn2)CCOCC1 ZINC000895259310 583634359 /nfs/dbraw/zinc/63/43/59/583634359.db2.gz LBQSDHCVAGTJHY-LBPRGKRZSA-N 1 0 247.342 2.253 20 30 BEEDRO Cc1cc(CNCC[C@H](C)[NH+](C)C)ccc1C#N ZINC000895294384 583638296 /nfs/dbraw/zinc/63/82/96/583638296.db2.gz PNTZVTFGSFVQAT-ZDUSSCGKSA-N 1 0 245.370 2.297 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CC(C)=NO1 ZINC000895304966 583643158 /nfs/dbraw/zinc/64/31/58/583643158.db2.gz NNSCPERAESGDTA-CYBMUJFWSA-N 1 0 222.332 2.325 20 30 BEEDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000895303666 583645627 /nfs/dbraw/zinc/64/56/27/583645627.db2.gz HSVADRPZRASCHN-CQSZACIVSA-N 1 0 243.310 2.121 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895323610 583650669 /nfs/dbraw/zinc/65/06/69/583650669.db2.gz MUGFEJAUEGORSC-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC000895340543 583654543 /nfs/dbraw/zinc/65/45/43/583654543.db2.gz WJOKQJGHWHMYRO-ILXRZTDVSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCCC ZINC000895340325 583654853 /nfs/dbraw/zinc/65/48/53/583654853.db2.gz OXXWOZGUIJXTMW-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000895385004 583663529 /nfs/dbraw/zinc/66/35/29/583663529.db2.gz XLNRXMDWPSEAGU-ZFWWWQNUSA-N 1 0 247.382 2.439 20 30 BEEDRO C=C(C)CCO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000795204563 583664081 /nfs/dbraw/zinc/66/40/81/583664081.db2.gz BHGBOTQEPBMVDB-UHFFFAOYSA-N 1 0 247.342 2.356 20 30 BEEDRO C#CCCC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000857880593 588920012 /nfs/dbraw/zinc/92/00/12/588920012.db2.gz KKRLAFUGTOFHCP-UHFFFAOYSA-N 1 0 243.354 2.372 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CSC2)C1 ZINC000895422206 583673491 /nfs/dbraw/zinc/67/34/91/583673491.db2.gz VMKUXMIMRYNCJY-ONGXEEELSA-N 1 0 210.346 2.021 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000895437258 583674756 /nfs/dbraw/zinc/67/47/56/583674756.db2.gz YFQWXBMELVOLNL-OCCSQVGLSA-N 1 0 248.370 2.333 20 30 BEEDRO CC1(C)C[C@]1(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000895533801 583686077 /nfs/dbraw/zinc/68/60/77/583686077.db2.gz CWWZPSALTHCJKS-CQSZACIVSA-N 1 0 229.327 2.479 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](CF)C2)n1 ZINC000895544197 583689423 /nfs/dbraw/zinc/68/94/23/583689423.db2.gz JLCOBMWOCLMFBL-NSHDSACASA-N 1 0 233.290 2.135 20 30 BEEDRO C#CC1([NH2+]CCC[C@@H]2CCO2)CCCC1 ZINC000895678290 583704478 /nfs/dbraw/zinc/70/44/78/583704478.db2.gz ZLUGQFNGJSQVGF-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CC1([NH2+]Cc2ocnc2C)CCCC1 ZINC000895677694 583704685 /nfs/dbraw/zinc/70/46/85/583704685.db2.gz PVKUYIDFSOKJPD-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CCC1(O)CC[NH+](C[C@H](C)CCC)CC1 ZINC000895670924 583706090 /nfs/dbraw/zinc/70/60/90/583706090.db2.gz XOIVWMYAZNKSOB-CYBMUJFWSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCC1(O)CC[NH+](CC2(C(C)C)CC2)CC1 ZINC000895671134 583706176 /nfs/dbraw/zinc/70/61/76/583706176.db2.gz QGPQQWPTLOERDV-UHFFFAOYSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2ccsc2C)CC1 ZINC000895670325 583706510 /nfs/dbraw/zinc/70/65/10/583706510.db2.gz PIVBOUGFFKPWPQ-UHFFFAOYSA-N 1 0 249.379 2.407 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@H]1CCc2ccccc21 ZINC000895672897 583707067 /nfs/dbraw/zinc/70/70/67/583707067.db2.gz ZKUDBWIEGSYOQN-CABCVRRESA-N 1 0 243.350 2.344 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)CC(=C)C ZINC000895713955 583711175 /nfs/dbraw/zinc/71/11/75/583711175.db2.gz XDGISPHFPWZIJS-AWEZNQCLSA-N 1 0 223.360 2.487 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000895715499 583711307 /nfs/dbraw/zinc/71/13/07/583711307.db2.gz SQPUERNUQZSBCV-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000895713952 583711474 /nfs/dbraw/zinc/71/14/74/583711474.db2.gz XAJQTXZYENZSNC-TZMCWYRMSA-N 1 0 249.354 2.240 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000895713605 583711485 /nfs/dbraw/zinc/71/14/85/583711485.db2.gz QOAVONIBTJMEFY-FRRDWIJNSA-N 1 0 243.416 2.433 20 30 BEEDRO C#Cc1ccc(CN2CCc3ncncc3C2)cc1 ZINC000895724952 583713213 /nfs/dbraw/zinc/71/32/13/583713213.db2.gz WWFSXCMNOOGHCB-UHFFFAOYSA-N 1 0 249.317 2.016 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC000895747267 583716460 /nfs/dbraw/zinc/71/64/60/583716460.db2.gz HDPGAKTWJXXSMY-ZDUSSCGKSA-N 1 0 222.376 2.110 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC000895747265 583716463 /nfs/dbraw/zinc/71/64/63/583716463.db2.gz HDPGAKTWJXXSMY-CYBMUJFWSA-N 1 0 222.376 2.110 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000895748979 583717300 /nfs/dbraw/zinc/71/73/00/583717300.db2.gz UHAXTFCDVVBILV-GJZGRUSLSA-N 1 0 232.371 2.172 20 30 BEEDRO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@H+]2C)c1 ZINC000895768116 583723627 /nfs/dbraw/zinc/72/36/27/583723627.db2.gz WNFMSBCTKGUXMW-SNVBAGLBSA-N 1 0 233.290 2.122 20 30 BEEDRO C#CCCCN1Cc2ccccc2NC(=O)[C@H]1C ZINC000857920907 588924227 /nfs/dbraw/zinc/92/42/27/588924227.db2.gz FVWBRWSTPBKZDT-GFCCVEGCSA-N 1 0 242.322 2.243 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858039931 588931105 /nfs/dbraw/zinc/93/11/05/588931105.db2.gz AIQHZCREZKLVBQ-AWEZNQCLSA-N 1 0 244.338 2.257 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000895833714 583735308 /nfs/dbraw/zinc/73/53/08/583735308.db2.gz CZWNLYQAHKYBED-GFCCVEGCSA-N 1 0 241.400 2.143 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000895834971 583735555 /nfs/dbraw/zinc/73/55/55/583735555.db2.gz UYKIGPBVMJYCAY-CYBMUJFWSA-N 1 0 237.343 2.082 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H](CCC)OC)CC1 ZINC000895835085 583736227 /nfs/dbraw/zinc/73/62/27/583736227.db2.gz YQZALXVSBDFPNO-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2occc2C)CC1 ZINC000895835737 583736289 /nfs/dbraw/zinc/73/62/89/583736289.db2.gz NGZOCTPBKFYYDD-UHFFFAOYSA-N 1 0 235.327 2.491 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC000895962643 583751488 /nfs/dbraw/zinc/75/14/88/583751488.db2.gz AAHUTMBNAUBANY-CYBMUJFWSA-N 1 0 249.354 2.359 20 30 BEEDRO CC(C)OC1C[NH+](C[C@@H](C)CCC#N)C1 ZINC000895955295 583752401 /nfs/dbraw/zinc/75/24/01/583752401.db2.gz QFYPVLQNHIQRQD-NSHDSACASA-N 1 0 210.321 2.035 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(OC)o2)CCCC1 ZINC000896025753 583762872 /nfs/dbraw/zinc/76/28/72/583762872.db2.gz BZVXYCMINDQTOV-UHFFFAOYSA-N 1 0 219.284 2.324 20 30 BEEDRO C#CC1([NH2+]Cc2scnc2C)CCCC1 ZINC000883362599 583783826 /nfs/dbraw/zinc/78/38/26/583783826.db2.gz IKHHQCRMSRUFSU-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H]1CC=CCC1 ZINC000883401742 583797676 /nfs/dbraw/zinc/79/76/76/583797676.db2.gz WWLIMXHYPUEBHP-OLZOCXBDSA-N 1 0 209.333 2.259 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCO[C@H]2C2CC2)CC1 ZINC000896410121 583800470 /nfs/dbraw/zinc/80/04/70/583800470.db2.gz XLSPSQSGRNSVEN-HOFDXXJLSA-N 1 0 234.343 2.226 20 30 BEEDRO C#CC[N@@H+]1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045058 588930901 /nfs/dbraw/zinc/93/09/01/588930901.db2.gz YSWBBNPVQBPQQG-CQSZACIVSA-N 1 0 242.322 2.045 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858140379 588935065 /nfs/dbraw/zinc/93/50/65/588935065.db2.gz CENHZNSUFHXJJE-SNVBAGLBSA-N 1 0 216.756 2.201 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccnc(F)c1 ZINC000858171970 588936488 /nfs/dbraw/zinc/93/64/88/588936488.db2.gz FZCGKMDFIACTSZ-NEPJUHHUSA-N 1 0 236.290 2.044 20 30 BEEDRO C=CCCCCCCNC(=O)NC(C)(C)C[NH3+] ZINC000841906759 583848642 /nfs/dbraw/zinc/84/86/42/583848642.db2.gz TVKFKJVMZAWVOV-UHFFFAOYSA-N 1 0 241.379 2.159 20 30 BEEDRO C#CC[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000897171413 583889129 /nfs/dbraw/zinc/88/91/29/583889129.db2.gz YPSLNSNVQFCPCY-UHFFFAOYSA-N 1 0 243.310 2.112 20 30 BEEDRO CCCCCCCNC(=O)NCCC[NH+](C)C ZINC000858102573 588933294 /nfs/dbraw/zinc/93/32/94/588933294.db2.gz BOCLCXUUYNNKJU-UHFFFAOYSA-N 1 0 243.395 2.208 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(C2CC2)nn1C ZINC000897224556 583897693 /nfs/dbraw/zinc/89/76/93/583897693.db2.gz SGHXONQPQNQIOW-LLVKDONJSA-N 1 0 246.358 2.327 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@]23C[C@H]2CCC3)n1 ZINC000897242199 583901166 /nfs/dbraw/zinc/90/11/66/583901166.db2.gz JIWLPAMYGLOMMJ-RISCZKNCSA-N 1 0 227.311 2.233 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000302695405 583910316 /nfs/dbraw/zinc/91/03/16/583910316.db2.gz ULCNPVFXCWUQHR-LLVKDONJSA-N 1 0 249.276 2.179 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870568304 583923251 /nfs/dbraw/zinc/92/32/51/583923251.db2.gz WMDDBSYTECQIQG-NSHDSACASA-N 1 0 227.348 2.328 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C/C=C\C)cc1 ZINC000858290758 588942451 /nfs/dbraw/zinc/94/24/51/588942451.db2.gz HCPKGGABDGABFE-HYXAFXHYSA-N 1 0 215.296 2.364 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCN(c3ccccc3)C2)CC1 ZINC000797604794 583928246 /nfs/dbraw/zinc/92/82/46/583928246.db2.gz CKTFVFMXDSYAIB-ZDUSSCGKSA-N 1 0 241.338 2.159 20 30 BEEDRO C[C@H]1CCCC1=NNCC[NH+]1CCCCC1 ZINC000729142727 583959931 /nfs/dbraw/zinc/95/99/31/583959931.db2.gz YPQKHSPJBOHWKX-LBPRGKRZSA-N 1 0 223.364 2.238 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862548400 583963762 /nfs/dbraw/zinc/96/37/62/583963762.db2.gz FFRXMGPPPNSQSO-PWSUYJOCSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccc(OC)c1 ZINC000858331617 588945845 /nfs/dbraw/zinc/94/58/45/588945845.db2.gz GCYIMWSUSLZIHE-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C1CC2(C1)CCC2=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000799885315 583969165 /nfs/dbraw/zinc/96/91/65/583969165.db2.gz UMHJNHAQLAYGGD-PHIMTYICSA-N 1 0 246.358 2.167 20 30 BEEDRO CCC(=[NH+]N[C@H](C)CC#N)c1ccc(N)cc1 ZINC000863103836 583975548 /nfs/dbraw/zinc/97/55/48/583975548.db2.gz LWOBKLUYMFLZFZ-SNVBAGLBSA-N 1 0 230.315 2.275 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(C)ccc1O ZINC000858333447 588946325 /nfs/dbraw/zinc/94/63/25/588946325.db2.gz GWROGXSZJAWIBS-AWEZNQCLSA-N 1 0 247.338 2.219 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccoc1C ZINC000858334329 588946645 /nfs/dbraw/zinc/94/66/45/588946645.db2.gz MOLAUDVHTFOHJI-CYBMUJFWSA-N 1 0 221.300 2.106 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000858335297 588946974 /nfs/dbraw/zinc/94/69/74/588946974.db2.gz XGKLAABGMCWZQE-JHJVBQTASA-N 1 0 241.400 2.289 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897528571 584006055 /nfs/dbraw/zinc/00/60/55/584006055.db2.gz LBTONJBBIQEGSD-STQMWFEESA-N 1 0 248.370 2.354 20 30 BEEDRO CCC[C@@H](C)CN1CCO[C@@](C)(C#N)C1 ZINC000897584458 584022095 /nfs/dbraw/zinc/02/20/95/584022095.db2.gz HDTQNQQVJPRHDD-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1 ZINC000865689867 584026752 /nfs/dbraw/zinc/02/67/52/584026752.db2.gz QPUUEBSZJQEBSQ-YWPYICTPSA-N 1 0 229.323 2.323 20 30 BEEDRO Cc1ccc(C2CC(=[NH+]n3cnnc3)C2)cc1 ZINC000729817972 584027025 /nfs/dbraw/zinc/02/70/25/584027025.db2.gz ALDDHVNWHIKOBQ-UHFFFAOYSA-N 1 0 226.283 2.368 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1CCCCO1 ZINC000858407494 588952060 /nfs/dbraw/zinc/95/20/60/588952060.db2.gz HVEJMAWJGVYLEV-BXUZGUMPSA-N 1 0 245.326 2.000 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC000897957910 584066393 /nfs/dbraw/zinc/06/63/93/584066393.db2.gz FDUFWEQFQPIVRR-LERXQTSPSA-N 1 0 227.311 2.231 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000897991919 584072947 /nfs/dbraw/zinc/07/29/47/584072947.db2.gz VOULXKUNETYLGM-MWLCHTKSSA-N 1 0 242.282 2.005 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2OC)C1 ZINC000898026100 584076701 /nfs/dbraw/zinc/07/67/01/584076701.db2.gz VSXUNNJCUHPBII-DGCLKSJQSA-N 1 0 249.358 2.263 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cn(C)nc1OC ZINC000898029565 584077182 /nfs/dbraw/zinc/07/71/82/584077182.db2.gz WFTHQAXIFCWRNB-GFCCVEGCSA-N 1 0 237.347 2.263 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000898034099 584078556 /nfs/dbraw/zinc/07/85/56/584078556.db2.gz HYMKLUFESICYEW-STQMWFEESA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cn(C)cn1 ZINC000898043035 584080540 /nfs/dbraw/zinc/08/05/40/584080540.db2.gz BTAADOHWLRTNCR-LLVKDONJSA-N 1 0 207.321 2.255 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H](O)C1CC1 ZINC000898199866 584098948 /nfs/dbraw/zinc/09/89/48/584098948.db2.gz SOMXHINNAYHLSW-PWSUYJOCSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cnc(N(C)C)nc1 ZINC000898245989 584100840 /nfs/dbraw/zinc/10/08/40/584100840.db2.gz KYRMVMZZMBTINL-UHFFFAOYSA-N 1 0 248.374 2.331 20 30 BEEDRO Cc1ncccc1CC[NH2+]C[C@@H](C)CCC#N ZINC000898252692 584101223 /nfs/dbraw/zinc/10/12/23/584101223.db2.gz FRDUJPQNEDBJKN-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO Cc1ncccc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000898253716 584101765 /nfs/dbraw/zinc/10/17/65/584101765.db2.gz STHZMYQUTCSRGM-OCCSQVGLSA-N 1 0 229.327 2.214 20 30 BEEDRO COc1ccc(C[NH2+]C/C=C/Cl)cc1C#N ZINC000898435784 584135685 /nfs/dbraw/zinc/13/56/85/584135685.db2.gz MRWGQKHTUNMQJE-GORDUTHDSA-N 1 0 236.702 2.409 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000898457031 584136567 /nfs/dbraw/zinc/13/65/67/584136567.db2.gz JYWAZMMNRDYQCQ-UHFFFAOYSA-N 1 0 223.272 2.120 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(OC)cnc1F ZINC000898460871 584138114 /nfs/dbraw/zinc/13/81/14/584138114.db2.gz WALDYEADQGUVSC-UHFFFAOYSA-N 1 0 224.279 2.284 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)nc1 ZINC000898460934 584138179 /nfs/dbraw/zinc/13/81/79/584138179.db2.gz WPCITTYTUKOOCK-UHFFFAOYSA-N 1 0 206.289 2.144 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000898460800 584138336 /nfs/dbraw/zinc/13/83/36/584138336.db2.gz SRPLJWPYGBEHKU-UHFFFAOYSA-N 1 0 248.326 2.313 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000898462633 584138876 /nfs/dbraw/zinc/13/88/76/584138876.db2.gz QXCAEKPBMQOADI-UHFFFAOYSA-N 1 0 219.332 2.352 20 30 BEEDRO CNC(NCC1(c2cccc(F)c2)CCC1)=[NH+]C ZINC000899262761 584190295 /nfs/dbraw/zinc/19/02/95/584190295.db2.gz PQBCPZYDDKLHOV-UHFFFAOYSA-N 1 0 249.333 2.042 20 30 BEEDRO C=CCCCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899271598 584191776 /nfs/dbraw/zinc/19/17/76/584191776.db2.gz HPMDJDNKNCTELC-JTQLQIEISA-N 1 0 209.337 2.255 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H]1CC ZINC000899908052 584251827 /nfs/dbraw/zinc/25/18/27/584251827.db2.gz RMNGOTHALPARAA-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(OC)c1 ZINC000899910965 584252743 /nfs/dbraw/zinc/25/27/43/584252743.db2.gz MLKAGGXUXRJIMU-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000899938158 584258843 /nfs/dbraw/zinc/25/88/43/584258843.db2.gz VTUYZPHQVSAEQL-AAEUAGOBSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)OC ZINC000858588480 588969919 /nfs/dbraw/zinc/96/99/19/588969919.db2.gz HEBAJPYMCRZKMY-NWDGAFQWSA-N 1 0 242.363 2.119 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Oc1ccccc1OC ZINC000900019424 584266927 /nfs/dbraw/zinc/26/69/27/584266927.db2.gz CHDRBUSTHHOFLR-UHFFFAOYSA-N 1 0 249.310 2.109 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(CC)CC1 ZINC000900291141 584291965 /nfs/dbraw/zinc/29/19/65/584291965.db2.gz AEQLFPIUTZNXJY-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)CC ZINC000900364475 584296398 /nfs/dbraw/zinc/29/63/98/584296398.db2.gz HSTCRVDAONCPBJ-ZYHUDNBSSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900742532 584348416 /nfs/dbraw/zinc/34/84/16/584348416.db2.gz ROJAFKNARVMIOF-AVGNSLFASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000900864826 584359059 /nfs/dbraw/zinc/35/90/59/584359059.db2.gz RUWXYEWJWTVNOA-AAEUAGOBSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)C[C@@H]1CC ZINC000900910145 584364989 /nfs/dbraw/zinc/36/49/89/584364989.db2.gz ZAEBPOZWKFDMEN-AAEUAGOBSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000900913241 584365511 /nfs/dbraw/zinc/36/55/11/584365511.db2.gz SOIYVHUOWSICTH-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000900988517 584373231 /nfs/dbraw/zinc/37/32/31/584373231.db2.gz LZVBGCGZFGTDRY-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC(C)C ZINC000901175043 584395771 /nfs/dbraw/zinc/39/57/71/584395771.db2.gz AKKLNJWILHRVNI-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO CCNN=C1CCCC[C@H]1[NH+]1CCCCC1 ZINC000901278463 584413827 /nfs/dbraw/zinc/41/38/27/584413827.db2.gz FOVHZBNEVUEWIB-CYBMUJFWSA-N 1 0 223.364 2.380 20 30 BEEDRO CCN[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000901279869 584414346 /nfs/dbraw/zinc/41/43/46/584414346.db2.gz YSLWBIWBKZGDMD-UHFFFAOYSA-N 1 0 223.295 2.225 20 30 BEEDRO CCN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000901282533 584415418 /nfs/dbraw/zinc/41/54/18/584415418.db2.gz KDMDBFJRDDMVSF-SECBINFHSA-N 1 0 215.300 2.303 20 30 BEEDRO CCc1onc(C)c1C=NNc1cc[nH+]c(C)c1 ZINC000901267052 584418500 /nfs/dbraw/zinc/41/85/00/584418500.db2.gz FBKUICWHXADYLH-UHFFFAOYSA-N 1 0 244.298 2.117 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348760 584559709 /nfs/dbraw/zinc/55/97/09/584559709.db2.gz WJDQEWPGFSMTBF-SNVBAGLBSA-N 1 0 216.756 2.107 20 30 BEEDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902478953 584603685 /nfs/dbraw/zinc/60/36/85/584603685.db2.gz ZCWIACNBOAGVHT-OADPDTJPSA-N 1 0 241.338 2.102 20 30 BEEDRO CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000902446548 584603909 /nfs/dbraw/zinc/60/39/09/584603909.db2.gz UERMZYMLXVUMPG-LXVYMNJGSA-N 1 0 235.375 2.046 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450816 584606783 /nfs/dbraw/zinc/60/67/83/584606783.db2.gz UMMJZCFMDCTYGV-FZMZJTMJSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccccc1NCC ZINC000902465662 584613927 /nfs/dbraw/zinc/61/39/27/584613927.db2.gz HUTROPRIXMVRJS-UHFFFAOYSA-N 1 0 234.343 2.411 20 30 BEEDRO N#C[C@@H]1CCC[C@@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902482141 584623883 /nfs/dbraw/zinc/62/38/83/584623883.db2.gz JPOYHLAELHXKSF-MCIONIFRSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn(CC)cn1 ZINC000902585139 584638989 /nfs/dbraw/zinc/63/89/89/584638989.db2.gz QUBNQFPRLXUHIW-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)ccc1NC ZINC000902626598 584645847 /nfs/dbraw/zinc/64/58/47/584645847.db2.gz HRFUUTRUVLDHTC-AWEZNQCLSA-N 1 0 246.354 2.165 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@@H](C)[C@H](C)C1=O ZINC000902668724 584654217 /nfs/dbraw/zinc/65/42/17/584654217.db2.gz FFCJYVPBLRVHBR-OLZOCXBDSA-N 1 0 238.375 2.346 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902719988 584659330 /nfs/dbraw/zinc/65/93/30/584659330.db2.gz BHGPZYVZVYMZOI-KBPBESRZSA-N 1 0 232.327 2.370 20 30 BEEDRO COCCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902750019 584664603 /nfs/dbraw/zinc/66/46/03/584664603.db2.gz YRDJKSRGJMYSPB-LLVKDONJSA-N 1 0 233.315 2.030 20 30 BEEDRO CCCCOCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902780176 584669820 /nfs/dbraw/zinc/66/98/20/584669820.db2.gz BAKBWZLLDJHAOB-LBPRGKRZSA-N 1 0 247.342 2.421 20 30 BEEDRO N#CCN1CCC([NH2+]C2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000902796456 584674742 /nfs/dbraw/zinc/67/47/42/584674742.db2.gz QANUHSKUSIPSCW-STQMWFEESA-N 1 0 247.386 2.143 20 30 BEEDRO CO[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902827682 584676881 /nfs/dbraw/zinc/67/68/81/584676881.db2.gz MVSQZXGDHASMDK-BXUZGUMPSA-N 1 0 247.342 2.275 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cc(C#N)ccn1 ZINC000902836523 584679210 /nfs/dbraw/zinc/67/92/10/584679210.db2.gz JMRQEFPXLYHTFB-JQWIXIFHSA-N 1 0 247.367 2.499 20 30 BEEDRO CC[C@H](CCO)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902839294 584679629 /nfs/dbraw/zinc/67/96/29/584679629.db2.gz QDVKDLNULGOAAR-VXGBXAGGSA-N 1 0 247.342 2.012 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902871596 584684076 /nfs/dbraw/zinc/68/40/76/584684076.db2.gz QXDJJGPNYGBPIN-PREPNJAASA-N 1 0 227.735 2.142 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902879028 584687721 /nfs/dbraw/zinc/68/77/21/584687721.db2.gz QUOIELPDGVXALT-BTFPBAQTSA-N 1 0 233.355 2.193 20 30 BEEDRO C[C@H](CO)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902889348 584689907 /nfs/dbraw/zinc/68/99/07/584689907.db2.gz HXSKRNODTOFJLP-RYUDHWBXSA-N 1 0 247.342 2.012 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000902894109 584690975 /nfs/dbraw/zinc/69/09/75/584690975.db2.gz HZRLZROKNGRSIO-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO CSC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000902975606 584707433 /nfs/dbraw/zinc/70/74/33/584707433.db2.gz IQCBMBMJOVJOCZ-SNVBAGLBSA-N 1 0 247.367 2.499 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000801939215 584707893 /nfs/dbraw/zinc/70/78/93/584707893.db2.gz NSDAADITXMOFIX-NSHDSACASA-N 1 0 248.301 2.333 20 30 BEEDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902973369 584712738 /nfs/dbraw/zinc/71/27/38/584712738.db2.gz RUJCSQVMTRKEOB-MRVPVSSYSA-N 1 0 237.253 2.402 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(C#N)ccn1 ZINC000903019760 584713782 /nfs/dbraw/zinc/71/37/82/584713782.db2.gz QSAWKBXLXXRIPC-SKDRFNHKSA-N 1 0 215.300 2.402 20 30 BEEDRO CC[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)OC ZINC000902997337 584714061 /nfs/dbraw/zinc/71/40/61/584714061.db2.gz SVIXOSFXPNBCSD-JQWIXIFHSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+]CCCCF)c1cc(C#N)ccn1 ZINC000902996885 584714187 /nfs/dbraw/zinc/71/41/87/584714187.db2.gz OWNDLKZWCGAXMH-SNVBAGLBSA-N 1 0 221.279 2.354 20 30 BEEDRO CC[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)OC ZINC000902997335 584714469 /nfs/dbraw/zinc/71/44/69/584714469.db2.gz SVIXOSFXPNBCSD-CMPLNLGQSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCCO)c1cc(C#N)ccn1 ZINC000903004422 584716637 /nfs/dbraw/zinc/71/66/37/584716637.db2.gz AEJZGKGIUKDTSV-NWDGAFQWSA-N 1 0 247.342 2.012 20 30 BEEDRO CC[C@](C)(C[NH2+][C@H](C)c1cc(C#N)ccn1)OC ZINC000903008064 584717556 /nfs/dbraw/zinc/71/75/56/584717556.db2.gz LIODERPJUFKISE-BXUZGUMPSA-N 1 0 247.342 2.419 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032187 584718356 /nfs/dbraw/zinc/71/83/56/584718356.db2.gz FUOFVXUUWSZWNX-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC23CCOCC3)CCC1 ZINC000903031758 584718435 /nfs/dbraw/zinc/71/84/35/584718435.db2.gz DMXZVKJYPVKVCA-GFCCVEGCSA-N 1 0 234.343 2.229 20 30 BEEDRO COCC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032186 584718602 /nfs/dbraw/zinc/71/86/02/584718602.db2.gz FUOFVXUUWSZWNX-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035996 584719569 /nfs/dbraw/zinc/71/95/69/584719569.db2.gz YUTSZDDDLMXZHN-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(C#N)ccn1 ZINC000903025693 584721640 /nfs/dbraw/zinc/72/16/40/584721640.db2.gz HHNYGPCNRKYAGQ-BXKDBHETSA-N 1 0 213.284 2.156 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(C#N)ccn1 ZINC000903047639 584723819 /nfs/dbraw/zinc/72/38/19/584723819.db2.gz BFVZXQLAPPQZRW-ZYHUDNBSSA-N 1 0 213.284 2.322 20 30 BEEDRO C[C@H]([NH2+]CCc1ccoc1)c1cc(C#N)ccn1 ZINC000903051764 584724181 /nfs/dbraw/zinc/72/41/81/584724181.db2.gz WSHAZDXFWRBCKE-NSHDSACASA-N 1 0 241.294 2.440 20 30 BEEDRO COC1([C@H](C)[NH2+]CC(C)(C)C#N)CCC1 ZINC000903101377 584727060 /nfs/dbraw/zinc/72/70/60/584727060.db2.gz GPVAAKKUMYPPOY-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000903101832 584727270 /nfs/dbraw/zinc/72/72/70/584727270.db2.gz NJLKDZGUHZULTO-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC1(C#N)CC1 ZINC000903106478 584728538 /nfs/dbraw/zinc/72/85/38/584728538.db2.gz RFRKFFSETMPQNI-JTQLQIEISA-N 1 0 238.331 2.000 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000903106194 584728703 /nfs/dbraw/zinc/72/87/03/584728703.db2.gz NJRGFVQJWPGBOY-NSHDSACASA-N 1 0 228.295 2.273 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000903193469 584734162 /nfs/dbraw/zinc/73/41/62/584734162.db2.gz WZVMVZONFBVZMN-FRRDWIJNSA-N 1 0 234.343 2.370 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903219838 584737637 /nfs/dbraw/zinc/73/76/37/584737637.db2.gz KAZWVWDOBJUHMJ-NDBYEHHHSA-N 1 0 209.333 2.092 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)n1 ZINC000903264054 584740813 /nfs/dbraw/zinc/74/08/13/584740813.db2.gz RAPBKSIBHXZLQL-UMNHJUIQSA-N 1 0 245.351 2.459 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903300941 584744507 /nfs/dbraw/zinc/74/45/07/584744507.db2.gz LFWLYZXQOHGNMF-AGIUHOORSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)C1CC1 ZINC000903301860 584744641 /nfs/dbraw/zinc/74/46/41/584744641.db2.gz WERSUMCREACETB-YUTCNCBUSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCN1C ZINC000903325368 584746373 /nfs/dbraw/zinc/74/63/73/584746373.db2.gz YMUJLUSMINFPRL-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN1C)C1CC1 ZINC000903325016 584747464 /nfs/dbraw/zinc/74/74/64/584747464.db2.gz XLPXRKDLVFHRIR-CHWSQXEVSA-N 1 0 208.349 2.025 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(C#N)cc1F ZINC000903316737 584750058 /nfs/dbraw/zinc/75/00/58/584750058.db2.gz GRQZWDXRDZBJJM-ZYHUDNBSSA-N 1 0 247.317 2.052 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)nc1OC)C1CC1 ZINC000903338606 584752010 /nfs/dbraw/zinc/75/20/10/584752010.db2.gz RXWFHIFDSYBNCP-CYBMUJFWSA-N 1 0 249.358 2.263 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903332346 584754835 /nfs/dbraw/zinc/75/48/35/584754835.db2.gz RCWBBLPDEYHJNZ-QWRGUYRKSA-N 1 0 247.342 2.417 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000903393879 584756658 /nfs/dbraw/zinc/75/66/58/584756658.db2.gz VFWMFUNCNNTKBH-GMKTYKIGSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(C#N)cc1 ZINC000903406568 584758704 /nfs/dbraw/zinc/75/87/04/584758704.db2.gz JOHGGRUNXYMPFU-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@H]1CCC[NH2+]1 ZINC000903426739 584760948 /nfs/dbraw/zinc/76/09/48/584760948.db2.gz MJJXGSTXGGALRH-GFCCVEGCSA-N 1 0 236.384 2.488 20 30 BEEDRO CC(C)[C@@](C)(CN)[NH2+]CC1CCC(C#N)CC1 ZINC000903427323 584761693 /nfs/dbraw/zinc/76/16/93/584761693.db2.gz WGRWXLVSIYDBNP-JXQTWKCFSA-N 1 0 237.391 2.279 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]([NH3+])C1 ZINC000903420922 584763502 /nfs/dbraw/zinc/76/35/02/584763502.db2.gz GRWTULLMYMAKBE-CQSZACIVSA-N 1 0 243.354 2.098 20 30 BEEDRO C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1CN ZINC000903424962 584765314 /nfs/dbraw/zinc/76/53/14/584765314.db2.gz NKOSWRPKSHUWKU-URGYJCLVSA-N 1 0 249.402 2.376 20 30 BEEDRO C=CCCN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903569051 584783586 /nfs/dbraw/zinc/78/35/86/584783586.db2.gz VBKMSOMXRLTBCB-LLVKDONJSA-N 1 0 234.318 2.339 20 30 BEEDRO N#CC1(CCCCN2CCC[C@@H]([NH3+])C2)CCC1 ZINC000903713513 584793776 /nfs/dbraw/zinc/79/37/76/584793776.db2.gz UGVODDVFWPVODG-CYBMUJFWSA-N 1 0 235.375 2.274 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@H](N)CC(F)F ZINC000903933874 584824989 /nfs/dbraw/zinc/82/49/89/584824989.db2.gz XLUWQFPTENNXCS-SECBINFHSA-N 1 0 220.307 2.303 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949449 584830388 /nfs/dbraw/zinc/83/03/88/584830388.db2.gz ATVBGDCTPXZVNR-SLEUVZQESA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000903950565 584830967 /nfs/dbraw/zinc/83/09/67/584830967.db2.gz OGWOJMVGEVQEHM-SNVBAGLBSA-N 1 0 205.305 2.108 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@H]([NH3+])C(C)C)no1 ZINC000904076091 584839596 /nfs/dbraw/zinc/83/95/96/584839596.db2.gz VYNXLSQQJNPGRY-SNVBAGLBSA-N 1 0 223.320 2.480 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000904073802 584839804 /nfs/dbraw/zinc/83/98/04/584839804.db2.gz WKXCEAGAHBHOFA-SNVBAGLBSA-N 1 0 235.331 2.291 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000904075701 584839940 /nfs/dbraw/zinc/83/99/40/584839940.db2.gz OEKOXCBGQRGHBZ-SECBINFHSA-N 1 0 221.304 2.249 20 30 BEEDRO C=CCCc1noc([C@H](CC(C)C)[NH2+]C)n1 ZINC000904123909 584842760 /nfs/dbraw/zinc/84/27/60/584842760.db2.gz UKOOLONGPDEYLY-JTQLQIEISA-N 1 0 223.320 2.495 20 30 BEEDRO CCCCCCN(O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000904207104 584846679 /nfs/dbraw/zinc/84/66/79/584846679.db2.gz QPGDZUCFSAODFV-GFCCVEGCSA-N 1 0 242.363 2.126 20 30 BEEDRO C=CCN(C[C@H]1C[C@@H]([NH3+])C1)c1ccccc1 ZINC000904334433 584866771 /nfs/dbraw/zinc/86/67/71/584866771.db2.gz VZSYPQGAADLEMX-BETUJISGSA-N 1 0 216.328 2.416 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCN(c2ccccc2)C1 ZINC000876638445 584886481 /nfs/dbraw/zinc/88/64/81/584886481.db2.gz ANMYPXFLHNTZKR-OAHLLOKOSA-N 1 0 242.366 2.468 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000877051686 584889030 /nfs/dbraw/zinc/88/90/30/584889030.db2.gz MBBCJUOJITUYEF-BDJLRTHQSA-N 1 0 244.404 2.063 20 30 BEEDRO CC1(C[NH2+]Cc2cc(C#N)cnc2Cl)CC1 ZINC000877074298 584889618 /nfs/dbraw/zinc/88/96/18/584889618.db2.gz FZQXHWLOJPIZPO-UHFFFAOYSA-N 1 0 235.718 2.496 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CCC(C)(C)SC ZINC000877129188 584890948 /nfs/dbraw/zinc/89/09/48/584890948.db2.gz AAPYESDDBZPTMX-LLVKDONJSA-N 1 0 231.405 2.292 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(CC)cn2)CC1 ZINC000830350522 584908172 /nfs/dbraw/zinc/90/81/72/584908172.db2.gz DSMKGJQWJIVVOX-UHFFFAOYSA-N 1 0 228.339 2.489 20 30 BEEDRO COCC#CC[N@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000762917682 584917880 /nfs/dbraw/zinc/91/78/80/584917880.db2.gz MYJAEUVHILBQAT-ZDUSSCGKSA-N 1 0 229.323 2.256 20 30 BEEDRO C=CCN1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000731668468 584927983 /nfs/dbraw/zinc/92/79/83/584927983.db2.gz RCXLWQAIZABZMF-AWEZNQCLSA-N 1 0 245.322 2.380 20 30 BEEDRO CCCCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000754840356 584932595 /nfs/dbraw/zinc/93/25/95/584932595.db2.gz AEFGTEYOCLSNAF-ZDUSSCGKSA-N 1 0 240.391 2.415 20 30 BEEDRO CCCCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000754840352 584932643 /nfs/dbraw/zinc/93/26/43/584932643.db2.gz AEFGTEYOCLSNAF-CYBMUJFWSA-N 1 0 240.391 2.415 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000884032447 584933764 /nfs/dbraw/zinc/93/37/64/584933764.db2.gz RJIQSIJOFKZCCE-NSHDSACASA-N 1 0 226.364 2.078 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000766895983 584944440 /nfs/dbraw/zinc/94/44/40/584944440.db2.gz UWHSSEIWRKPQNC-ZDUSSCGKSA-N 1 0 231.343 2.013 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000766902574 584944541 /nfs/dbraw/zinc/94/45/41/584944541.db2.gz LGFLTOLKTFDACU-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO C[C@H](CC#N)NN=Cc1ccc(N(C)C)c(F)c1 ZINC000771885963 585010443 /nfs/dbraw/zinc/01/04/43/585010443.db2.gz RAKHOKXKQHREEG-SNVBAGLBSA-N 1 0 248.305 2.117 20 30 BEEDRO CC[NH+](CC)CCCOC(=O)C#CC(C)(C)C ZINC000838371255 585055170 /nfs/dbraw/zinc/05/51/70/585055170.db2.gz HZHUEGIARSXGML-UHFFFAOYSA-N 1 0 239.359 2.311 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C1CC1)C1CCCCC1 ZINC000838800244 585069244 /nfs/dbraw/zinc/06/92/44/585069244.db2.gz VCMNGJMAWXEFAI-AWEZNQCLSA-N 1 0 221.344 2.025 20 30 BEEDRO N#CCC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000838914180 585077935 /nfs/dbraw/zinc/07/79/35/585077935.db2.gz BYJYLAPUFOFOIJ-CABCVRRESA-N 1 0 244.338 2.392 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000838980669 585083945 /nfs/dbraw/zinc/08/39/45/585083945.db2.gz LIKIQGGKANTEOO-UHFFFAOYSA-N 1 0 229.327 2.247 20 30 BEEDRO CCOC(=O)CC(C)(C)C[NH2+]CC(C)(C)C#N ZINC000839011993 585087248 /nfs/dbraw/zinc/08/72/48/585087248.db2.gz QJZASZDWKQRONW-UHFFFAOYSA-N 1 0 240.347 2.105 20 30 BEEDRO C#C[C@H]1COCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000839189002 585097042 /nfs/dbraw/zinc/09/70/42/585097042.db2.gz MQIBMTKSCGGFGM-NEPJUHHUSA-N 1 0 209.333 2.003 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC(C)(C)CC#N ZINC000839162899 585098175 /nfs/dbraw/zinc/09/81/75/585098175.db2.gz DCONUGUAJBRQNB-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(CCC1CCCC1)=[NH+]n1cnnc1 ZINC000740760040 585106609 /nfs/dbraw/zinc/10/66/09/585106609.db2.gz JZMRFZTZCOWIMJ-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO C[C@H](C(=O)OCCCC#N)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015450 585109100 /nfs/dbraw/zinc/10/91/00/585109100.db2.gz BKDSIYWICQJKJL-IJLUTSLNSA-N 1 0 238.331 2.095 20 30 BEEDRO CC[C@@H](C(=O)OCCCCC#N)[NH+](CC)CC ZINC000741032762 585109354 /nfs/dbraw/zinc/10/93/54/585109354.db2.gz JVZHBUPIGJRQCX-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO C=C(C)COC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741018470 585109459 /nfs/dbraw/zinc/10/94/59/585109459.db2.gz GEXDYEZQHIAEFX-TUAOUCFPSA-N 1 0 225.332 2.367 20 30 BEEDRO C=CC[N@@H+](CCOC[C@H]1CCCO1)C(C)C ZINC000741244606 585111618 /nfs/dbraw/zinc/11/16/18/585111618.db2.gz ILMXOGSSKWBOCT-CYBMUJFWSA-N 1 0 227.348 2.078 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H]2CC=CCC2)C1 ZINC000886213259 585113414 /nfs/dbraw/zinc/11/34/14/585113414.db2.gz OUIXQLMNFDJKSQ-HUUCEWRRSA-N 1 0 232.371 2.030 20 30 BEEDRO CC[N@@H+]1CCC(N=NCc2ccccc2)[C@@H](C)C1 ZINC000741457035 585114141 /nfs/dbraw/zinc/11/41/41/585114141.db2.gz REDZQCRGNLFTMK-ZDUSSCGKSA-N 1 0 245.370 2.494 20 30 BEEDRO Cc1ccccc1C1CC(=[NH+]n2cnnc2)C1 ZINC000743419748 585136830 /nfs/dbraw/zinc/13/68/30/585136830.db2.gz ZIODQAMRKOJCDH-UHFFFAOYSA-N 1 0 226.283 2.368 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCCCCCO ZINC000743844378 585140162 /nfs/dbraw/zinc/14/01/62/585140162.db2.gz PIJVJJIJUZBSMD-GFCCVEGCSA-N 1 0 212.337 2.021 20 30 BEEDRO C#CCN(CC#CC)CCOCCC(C)C ZINC000743852731 585140968 /nfs/dbraw/zinc/14/09/68/585140968.db2.gz CPCLLQVVGZFINI-UHFFFAOYSA-N 1 0 221.344 2.008 20 30 BEEDRO CC(C)[N@H+]1CC(=NOCc2cccnc2)[C@H](C)C1 ZINC000746585523 585170376 /nfs/dbraw/zinc/17/03/76/585170376.db2.gz GVRXPCKURXNKHK-GFCCVEGCSA-N 1 0 247.342 2.314 20 30 BEEDRO C[C@H]1CC(C)(C)CCC1=[NH+]n1cnnc1 ZINC000748245824 585189689 /nfs/dbraw/zinc/18/96/89/585189689.db2.gz DVMLZSMDSHITDT-VIFPVBQESA-N 1 0 206.293 2.328 20 30 BEEDRO C=CCCCC(=O)N(C)CCCC[NH+](C)C ZINC000748545684 585193708 /nfs/dbraw/zinc/19/37/08/585193708.db2.gz QGFXJBKFNWXZCS-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO CC(C)CON=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000749636020 585204771 /nfs/dbraw/zinc/20/47/71/585204771.db2.gz CWIAYTDPRFEBIL-SNVBAGLBSA-N 1 0 210.321 2.129 20 30 BEEDRO CCCCCCCC[N@H+](C)CC(=O)NC ZINC000749796118 585206252 /nfs/dbraw/zinc/20/62/52/585206252.db2.gz BHFQLRNVBJCQPU-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO C[C@H]1CC(N=NC(N)=[NH2+])C[C@@H](c2ccccc2)C1 ZINC000749853064 585207541 /nfs/dbraw/zinc/20/75/41/585207541.db2.gz BOTYBINNBFBHNG-PWSUYJOCSA-N 1 0 244.342 2.429 20 30 BEEDRO CNC(NCCC12CC3CC(CC(C3)C1)C2)=[NH+]C ZINC000750668099 585218236 /nfs/dbraw/zinc/21/82/36/585218236.db2.gz AKAQGJMONZPZLH-UHFFFAOYSA-N 1 0 249.402 2.388 20 30 BEEDRO C(=[NH+]n1cnnc1)[C@H]1CCCc2ccccc21 ZINC000752156571 585242654 /nfs/dbraw/zinc/24/26/54/585242654.db2.gz FFUVUTCMIOBJMU-GFCCVEGCSA-N 1 0 226.283 2.232 20 30 BEEDRO Cc1ccc(N=NC2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000752156489 585242721 /nfs/dbraw/zinc/24/27/21/585242721.db2.gz AEBMSZBHAIRVTI-NSHDSACASA-N 1 0 217.316 2.344 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ncccc1Cl ZINC000752163937 585243207 /nfs/dbraw/zinc/24/32/07/585243207.db2.gz GCYAXZVFHSDELJ-QMMMGPOBSA-N 1 0 238.722 2.084 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000753589645 585263033 /nfs/dbraw/zinc/26/30/33/585263033.db2.gz LJKXOPJRSYIKEU-UONOGXRCSA-N 1 0 231.339 2.418 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000753767702 585268141 /nfs/dbraw/zinc/26/81/41/585268141.db2.gz LWHYYVOZBSKOKC-ZDUSSCGKSA-N 1 0 247.338 2.386 20 30 BEEDRO C#CCOCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000753760836 585268267 /nfs/dbraw/zinc/26/82/67/585268267.db2.gz KVGCFUBBMWJXCF-OAHLLOKOSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC)c1ccc(OC)cc1 ZINC000753765354 585268651 /nfs/dbraw/zinc/26/86/51/585268651.db2.gz BPFCFQGJWFPGFX-HNNXBMFYSA-N 1 0 247.338 2.386 20 30 BEEDRO C[C@@H]1CCCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753936315 585272462 /nfs/dbraw/zinc/27/24/62/585272462.db2.gz RSMDGWZSXIYZAR-JLLWLGSASA-N 1 0 234.347 2.022 20 30 BEEDRO Cc1ccc(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)nc1 ZINC000753960890 585273693 /nfs/dbraw/zinc/27/36/93/585273693.db2.gz XEEXQVVRPDTKOF-NSHDSACASA-N 1 0 244.342 2.415 20 30 BEEDRO CCCCNN=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000754256398 585280894 /nfs/dbraw/zinc/28/08/94/585280894.db2.gz BLTLHTONWXKYRZ-LLVKDONJSA-N 1 0 211.353 2.092 20 30 BEEDRO C#CCCC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000755219274 585296306 /nfs/dbraw/zinc/29/63/06/585296306.db2.gz VVQQOLPPSKWNJO-UHFFFAOYSA-N 1 0 243.354 2.378 20 30 BEEDRO C(=[NH+]n1cnc2ccccc21)C1CCOCC1 ZINC000755612583 585302211 /nfs/dbraw/zinc/30/22/11/585302211.db2.gz ODAPCLVGUQAGAT-UHFFFAOYSA-N 1 0 229.283 2.297 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1cc(Cl)cc(Cl)c1 ZINC000755873708 585309122 /nfs/dbraw/zinc/30/91/22/585309122.db2.gz KXSHLBMNCXMVQW-UHFFFAOYSA-N 1 0 245.113 2.200 20 30 BEEDRO Cc1ccnc(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000755901688 585309857 /nfs/dbraw/zinc/30/98/57/585309857.db2.gz XLWXQFGRJFUDPT-NSHDSACASA-N 1 0 244.342 2.415 20 30 BEEDRO C=CCN(CN1C[C@@H](CC)CC1=O)C(C)C ZINC000755911946 585310365 /nfs/dbraw/zinc/31/03/65/585310365.db2.gz GPTVJGYSLVBDMO-LBPRGKRZSA-N 1 0 224.348 2.099 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC000756035332 585313322 /nfs/dbraw/zinc/31/33/22/585313322.db2.gz BJXLQVKSMNOTER-UHFFFAOYSA-N 1 0 245.301 2.367 20 30 BEEDRO C#CC[N@H+]1Cc2ccccc2N(C)C[C@H]1CC ZINC000756026423 585313386 /nfs/dbraw/zinc/31/33/86/585313386.db2.gz BZQOACDNNYOPQE-CQSZACIVSA-N 1 0 228.339 2.350 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)CCC ZINC000756552815 585321041 /nfs/dbraw/zinc/32/10/41/585321041.db2.gz KMXKNQLWPPCTPA-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C(/C)CCC ZINC000756552865 585321072 /nfs/dbraw/zinc/32/10/72/585321072.db2.gz LNGDAELKWHHEAH-FZDNWWAKSA-N 1 0 249.354 2.374 20 30 BEEDRO CC(C)(C)OCCC[NH+]1CCC(C#N)CC1 ZINC000756825468 585323908 /nfs/dbraw/zinc/32/39/08/585323908.db2.gz FWBCAELLJKMQOF-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1CN(CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000839533808 585329132 /nfs/dbraw/zinc/32/91/32/585329132.db2.gz NYYATLZMBYINLH-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=C(Cl)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000839575997 585330656 /nfs/dbraw/zinc/33/06/56/585330656.db2.gz XBYVRMXRWYYALA-SNVBAGLBSA-N 1 0 217.740 2.364 20 30 BEEDRO C=C(CC)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000839580108 585330831 /nfs/dbraw/zinc/33/08/31/585330831.db2.gz XNFQDZILILPKBL-ZDUSSCGKSA-N 1 0 249.358 2.121 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000839615383 585332508 /nfs/dbraw/zinc/33/25/08/585332508.db2.gz UERTVZMVLPFBJT-NWDGAFQWSA-N 1 0 229.751 2.126 20 30 BEEDRO C#CCC[N@@H+]1CCSC2(CCC2)CC1 ZINC000839626103 585332859 /nfs/dbraw/zinc/33/28/59/585332859.db2.gz PILGJZJROBEATM-UHFFFAOYSA-N 1 0 209.358 2.371 20 30 BEEDRO C#CCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000839634016 585333004 /nfs/dbraw/zinc/33/30/04/585333004.db2.gz AOCKVYNALOAMMF-LSDHHAIUSA-N 1 0 229.323 2.208 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)C1CC(C)(C)C1 ZINC000839663407 585334704 /nfs/dbraw/zinc/33/47/04/585334704.db2.gz FSUURTNZYZRTFV-LLVKDONJSA-N 1 0 224.348 2.426 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000839670866 585336091 /nfs/dbraw/zinc/33/60/91/585336091.db2.gz IQLQLXORLSUUNQ-OLZOCXBDSA-N 1 0 229.364 2.038 20 30 BEEDRO CCOc1ccc(C[NH2+]CC(C)(C)C#N)c(O)c1 ZINC000757906071 585346792 /nfs/dbraw/zinc/34/67/92/585346792.db2.gz JWJLNMQHOPJXOU-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO CC[C@H](C)C[N@H+](CC)Cn1cccc(C#N)c1=O ZINC000758233118 585352361 /nfs/dbraw/zinc/35/23/61/585352361.db2.gz URZAZBMUJGNSLG-LBPRGKRZSA-N 1 0 247.342 2.045 20 30 BEEDRO Cc1ccc(F)c(N=NC2C[N@@H+](C)C[C@@H]2C)c1 ZINC000759663354 585378177 /nfs/dbraw/zinc/37/81/77/585378177.db2.gz CRFNIFPSMJMNTA-JTQLQIEISA-N 1 0 235.306 2.484 20 30 BEEDRO CC(C)c1ccc2c(c1)C(=NNC(N)=[NH2+])CCC2 ZINC000760249765 585387517 /nfs/dbraw/zinc/38/75/17/585387517.db2.gz GRLNMRMWIBPCEB-UHFFFAOYSA-N 1 0 244.342 2.333 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cccc(C#N)c1 ZINC000760821158 585397686 /nfs/dbraw/zinc/39/76/86/585397686.db2.gz SQPZXVTUPIDFMP-UHFFFAOYSA-N 1 0 242.322 2.030 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cccc(F)c1 ZINC000760818503 585397725 /nfs/dbraw/zinc/39/77/25/585397725.db2.gz FTNNBFJDORWUDM-UHFFFAOYSA-N 1 0 235.302 2.297 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(C)cc1 ZINC000760820590 585397752 /nfs/dbraw/zinc/39/77/52/585397752.db2.gz QRPIKFXDGMDACH-UHFFFAOYSA-N 1 0 231.339 2.467 20 30 BEEDRO C#CCC[N@@H+](C)CCc1ccccc1F ZINC000760834130 585398585 /nfs/dbraw/zinc/39/85/85/585398585.db2.gz MCPZSISPBMUWHS-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000760843023 585399399 /nfs/dbraw/zinc/39/93/99/585399399.db2.gz HKNLBHMCOMZHEX-ZDUSSCGKSA-N 1 0 200.285 2.242 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000760859981 585400079 /nfs/dbraw/zinc/40/00/79/585400079.db2.gz JYRIINHZCMEKNO-GXTWGEPZSA-N 1 0 245.322 2.150 20 30 BEEDRO C#CCC[N@@H+](C)C1(C(=O)OCC)CCCCC1 ZINC000760860139 585400150 /nfs/dbraw/zinc/40/01/50/585400150.db2.gz LFQWWYABBPIWNM-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO N#CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761081082 585406524 /nfs/dbraw/zinc/40/65/24/585406524.db2.gz FKGBETWHRZWGSA-GXTWGEPZSA-N 1 0 228.295 2.183 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(Cl)cc1 ZINC000761108352 585409643 /nfs/dbraw/zinc/40/96/43/585409643.db2.gz LERXXZGZKQPMJR-UHFFFAOYSA-N 1 0 237.730 2.422 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(Cl)s1 ZINC000761115812 585410663 /nfs/dbraw/zinc/41/06/63/585410663.db2.gz ZBTWVJLUYXVKGK-UHFFFAOYSA-N 1 0 243.759 2.483 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@@H](C2CC2)CC1=O ZINC000762494902 585433451 /nfs/dbraw/zinc/43/34/51/585433451.db2.gz JZOSZJAOIXSZJD-ZDUSSCGKSA-N 1 0 236.359 2.100 20 30 BEEDRO C=CC[N@@H+](Cc1ccnc(F)c1)C1CC1 ZINC000859226325 589022060 /nfs/dbraw/zinc/02/20/60/589022060.db2.gz OTSMJLTZVGCVDC-UHFFFAOYSA-N 1 0 206.264 2.371 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000764154073 585461008 /nfs/dbraw/zinc/46/10/08/585461008.db2.gz YCYQWBRSWHIJIP-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]1CC(=NNCCc2ccccc2F)CN1C ZINC000764721071 585472045 /nfs/dbraw/zinc/47/20/45/585472045.db2.gz HOOBTLOJWFCDEB-NSHDSACASA-N 1 0 249.333 2.038 20 30 BEEDRO C#CCCOC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000765504440 585488354 /nfs/dbraw/zinc/48/83/54/585488354.db2.gz XDXYZASGDGUBQN-UHFFFAOYSA-N 1 0 237.343 2.206 20 30 BEEDRO c1ccc(CNN=C2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765562814 585489567 /nfs/dbraw/zinc/48/95/67/585489567.db2.gz JRVDTFGDKVFMIK-CQSZACIVSA-N 1 0 229.327 2.000 20 30 BEEDRO N#Cc1cccc(N=NC2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000765567118 585489979 /nfs/dbraw/zinc/48/99/79/585489979.db2.gz ZZGSPINZCKTRLK-AWEZNQCLSA-N 1 0 240.310 2.194 20 30 BEEDRO CC[C@H](C(=O)O[C@H](C#N)C(C)C)[NH+](CC)CC ZINC000765967086 585493920 /nfs/dbraw/zinc/49/39/20/585493920.db2.gz OAMRAOXWAVSGAW-VXGBXAGGSA-N 1 0 240.347 2.198 20 30 BEEDRO C#CCCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000766901996 585510162 /nfs/dbraw/zinc/51/01/62/585510162.db2.gz CBSLGHTYLWRQML-AWEZNQCLSA-N 1 0 231.339 2.283 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000766904086 585510938 /nfs/dbraw/zinc/51/09/38/585510938.db2.gz WDRKOCBLDSHMAD-OAHLLOKOSA-N 1 0 234.387 2.208 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000766905253 585510952 /nfs/dbraw/zinc/51/09/52/585510952.db2.gz IPZBJQNDQXDQFS-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCCC[NH+]1CCC(OCC2CC2)CC1 ZINC000766904330 585510973 /nfs/dbraw/zinc/51/09/73/585510973.db2.gz YLNOABXLBXUCOP-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000766917809 585511457 /nfs/dbraw/zinc/51/14/57/585511457.db2.gz OMOSQGFEFJOWLZ-UHFFFAOYSA-N 1 0 229.323 2.206 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](CCO)C2CC2)ccc1C#N ZINC000767692017 585524852 /nfs/dbraw/zinc/52/48/52/585524852.db2.gz RZRJBWIDZHTHOY-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO CCOC(CN1CCC[C@](C)(C#N)C1)OCC ZINC000767837142 585526508 /nfs/dbraw/zinc/52/65/08/585526508.db2.gz RGOIMKWACOVMHP-CYBMUJFWSA-N 1 0 240.347 2.011 20 30 BEEDRO C#CCC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000767911978 585528065 /nfs/dbraw/zinc/52/80/65/585528065.db2.gz DGAQJKINENQJFG-NSHDSACASA-N 1 0 249.276 2.035 20 30 BEEDRO C=CC[N@H+](Cc1cnc2cnccn12)C(C)C ZINC000768547088 585540127 /nfs/dbraw/zinc/54/01/27/585540127.db2.gz HZQXLCPXQZIYQP-UHFFFAOYSA-N 1 0 230.315 2.126 20 30 BEEDRO C#CCC[NH+]1CCC(c2cccnc2)CC1 ZINC000768760437 585542928 /nfs/dbraw/zinc/54/29/28/585542928.db2.gz YGKWOMSHOPJCAW-UHFFFAOYSA-N 1 0 214.312 2.284 20 30 BEEDRO CC(=[NH+]N[C@@H](C)CC#N)c1ccccc1N(C)C ZINC000769584876 585559956 /nfs/dbraw/zinc/55/99/56/585559956.db2.gz JYECBDZBXQWUJF-NSHDSACASA-N 1 0 244.342 2.368 20 30 BEEDRO CC(=NNCC(F)(F)F)c1ccc(N)cc1C ZINC000769824400 585564837 /nfs/dbraw/zinc/56/48/37/585564837.db2.gz IOVVXTIVDMDDCX-UHFFFAOYSA-N 1 0 245.248 2.453 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000769946370 585566767 /nfs/dbraw/zinc/56/67/67/585566767.db2.gz VNFHWEZDBUVXRD-ZIAGYGMSSA-N 1 0 225.295 2.340 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)CCCCCC ZINC000769978265 585568232 /nfs/dbraw/zinc/56/82/32/585568232.db2.gz VAAWRKBYMOWRGY-OLZOCXBDSA-N 1 0 211.349 2.271 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCN1CCCc2ccccc21 ZINC000769978078 585568387 /nfs/dbraw/zinc/56/83/87/585568387.db2.gz OZAIQNVUIWTDFI-AWEZNQCLSA-N 1 0 242.366 2.393 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000769975718 585568451 /nfs/dbraw/zinc/56/84/51/585568451.db2.gz KAOSMRGKBWPFKJ-GFCCVEGCSA-N 1 0 212.296 2.320 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@]1(CCC)C(=O)OCC ZINC000770002113 585568982 /nfs/dbraw/zinc/56/89/82/585568982.db2.gz PURUKRPZSVHWLA-AWEZNQCLSA-N 1 0 237.343 2.208 20 30 BEEDRO Cc1ncc(CC[NH2+]Cc2ccc(C#N)o2)s1 ZINC000771979385 585606100 /nfs/dbraw/zinc/60/61/00/585606100.db2.gz NBJAJEXDSBVSBC-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000774269095 585655493 /nfs/dbraw/zinc/65/54/93/585655493.db2.gz HOWQCDHUQVSHGK-MNOVXSKESA-N 1 0 233.290 2.393 20 30 BEEDRO CCC(CC)CNN=C1CC[N@H+](C)[C@@H](C)C1 ZINC000774463990 585659821 /nfs/dbraw/zinc/65/98/21/585659821.db2.gz SVMMLIYZNUNPPW-NSHDSACASA-N 1 0 225.380 2.482 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000774828626 585667050 /nfs/dbraw/zinc/66/70/50/585667050.db2.gz WOADAEYJJZMVFV-CYBMUJFWSA-N 1 0 249.354 2.283 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000775184067 585672761 /nfs/dbraw/zinc/67/27/61/585672761.db2.gz UTHAPGIOQVPYMB-LLVKDONJSA-N 1 0 203.285 2.154 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@](C)(CC)c1ccccc1 ZINC000775386924 585677058 /nfs/dbraw/zinc/67/70/58/585677058.db2.gz HIPGOOBSPCHIGM-HNNXBMFYSA-N 1 0 246.354 2.204 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837951 585686153 /nfs/dbraw/zinc/68/61/53/585686153.db2.gz WAFYOPGPQXJRBH-WFASDCNBSA-N 1 0 248.370 2.340 20 30 BEEDRO C#C[C@H]([NH2+]CCc1ccccc1F)[C@H]1CCCO1 ZINC000776002471 585689086 /nfs/dbraw/zinc/68/90/86/585689086.db2.gz SRKOMYKZMBBAKD-LSDHHAIUSA-N 1 0 247.313 2.139 20 30 BEEDRO CC(C[NH+]1CCCCCC1)N=Nc1cnccn1 ZINC000777432305 585711931 /nfs/dbraw/zinc/71/19/31/585711931.db2.gz NOJXMLDJZOCRGO-UHFFFAOYSA-N 1 0 247.346 2.140 20 30 BEEDRO COCCCC=[NH+]n1cnnc1-c1ccccc1 ZINC000777431119 585712046 /nfs/dbraw/zinc/71/20/46/585712046.db2.gz VZSQPHRLSFLOQY-UHFFFAOYSA-N 1 0 244.298 2.206 20 30 BEEDRO C#C[C@H](CC)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000778726218 585739950 /nfs/dbraw/zinc/73/99/50/585739950.db2.gz NICFTUXQJLGUQN-NEPJUHHUSA-N 1 0 225.332 2.062 20 30 BEEDRO CC(C)(C(=O)OCCCCC#N)[NH+]1CCCC1 ZINC000805616700 585741238 /nfs/dbraw/zinc/74/12/38/585741238.db2.gz YPBXVNKZFIDCTG-UHFFFAOYSA-N 1 0 238.331 2.098 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000779021792 585744497 /nfs/dbraw/zinc/74/44/97/585744497.db2.gz ZNWGEFOWPZVFFD-JTQLQIEISA-N 1 0 240.310 2.441 20 30 BEEDRO C=CCN(C)Cc1c(Cl)nc(Cl)n1C ZINC000779188462 585746792 /nfs/dbraw/zinc/74/67/92/585746792.db2.gz OJWULHIFYFGNET-UHFFFAOYSA-N 1 0 234.130 2.345 20 30 BEEDRO CCCC[C@@H]1CCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779792489 585764073 /nfs/dbraw/zinc/76/40/73/585764073.db2.gz SFJOKALVGOYQFL-WDEREUQCSA-N 1 0 236.363 2.270 20 30 BEEDRO CC[C@@H]1C[C@@H](C)CCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779793212 585764111 /nfs/dbraw/zinc/76/41/11/585764111.db2.gz XUONFGHEXSGEBD-GARJFASQSA-N 1 0 236.363 2.126 20 30 BEEDRO C[C@@H]1CNC(NN=C[C@H]2CCCC(C)(C)C2)=[NH+]1 ZINC000779799554 585764599 /nfs/dbraw/zinc/76/45/99/585764599.db2.gz VHMAQDTXTLWYAN-MNOVXSKESA-N 1 0 236.363 2.126 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCO1 ZINC000859257715 589025213 /nfs/dbraw/zinc/02/52/13/589025213.db2.gz DKHVQTMXPXKPTM-CHWSQXEVSA-N 1 0 221.344 2.193 20 30 BEEDRO COc1ccccc1C(C)=NNc1ccncc1 ZINC000779812802 585766315 /nfs/dbraw/zinc/76/63/15/585766315.db2.gz YHHUUXVNKRHSBR-UHFFFAOYSA-N 1 0 241.294 2.348 20 30 BEEDRO Oc1ccc(Cl)cc1C=NNc1ccncc1 ZINC000779811470 585766425 /nfs/dbraw/zinc/76/64/25/585766425.db2.gz HEZYNYUAAHGQAG-UHFFFAOYSA-N 1 0 247.685 2.309 20 30 BEEDRO Cc1cc(O)c(C=NNc2ccncc2)cc1C ZINC000779812676 585766530 /nfs/dbraw/zinc/76/65/30/585766530.db2.gz XNJUMSXZKSKBDP-UHFFFAOYSA-N 1 0 241.294 2.272 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(C#N)cn1 ZINC000780554873 585780958 /nfs/dbraw/zinc/78/09/58/585780958.db2.gz BFGMCNWLQAFZRA-UHFFFAOYSA-N 1 0 242.326 2.373 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccnc(F)c2)C[N@@H+]1C1CC1 ZINC000781131581 585791168 /nfs/dbraw/zinc/79/11/68/585791168.db2.gz ADBBAEDBGIDVHX-SECBINFHSA-N 1 0 248.305 2.245 20 30 BEEDRO CCCCCCC[N@@H+]1CC(=O)N(C)C[C@H]1C ZINC000782595911 585821161 /nfs/dbraw/zinc/82/11/61/585821161.db2.gz MIDJWGKDJLXDQU-GFCCVEGCSA-N 1 0 226.364 2.119 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805746680 585835702 /nfs/dbraw/zinc/83/57/02/585835702.db2.gz FQZAFOYFDNXFHL-ZDUSSCGKSA-N 1 0 200.285 2.242 20 30 BEEDRO CC[C@H]1CCC[C@@H](C=[NH+]n2cnnc2)C1 ZINC000783770697 585842814 /nfs/dbraw/zinc/84/28/14/585842814.db2.gz HOIGPAWLDPFHDM-WDEREUQCSA-N 1 0 206.293 2.328 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784576807 585863823 /nfs/dbraw/zinc/86/38/23/585863823.db2.gz BJWKYRHXMUJNQS-ZDUSSCGKSA-N 1 0 239.359 2.428 20 30 BEEDRO CCOc1ccc(C[NH2+]CCCC#N)c(O)c1 ZINC000784621920 585864882 /nfs/dbraw/zinc/86/48/82/585864882.db2.gz QVNFRGSIPLMPNK-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000785478141 585874688 /nfs/dbraw/zinc/87/46/88/585874688.db2.gz MBGDMAHQNXNZSG-QWHCGFSZSA-N 1 0 243.354 2.255 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000785480109 585874705 /nfs/dbraw/zinc/87/47/05/585874705.db2.gz DKGSZDCGMWXOBR-NSHDSACASA-N 1 0 242.363 2.408 20 30 BEEDRO C#CCOC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000785721910 585878699 /nfs/dbraw/zinc/87/86/99/585878699.db2.gz SYUWKNXUGNBCRM-UHFFFAOYSA-N 1 0 243.306 2.072 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)OCCCCC#N ZINC000785728155 585878875 /nfs/dbraw/zinc/87/88/75/585878875.db2.gz FEUNRLGFWZRZCT-RYUDHWBXSA-N 1 0 238.331 2.096 20 30 BEEDRO C=C(CC)COC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785735288 585879383 /nfs/dbraw/zinc/87/93/83/585879383.db2.gz URJAYIFHIFZPPI-VXGBXAGGSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)OCC[NH+](CC)CC ZINC000785760836 585879983 /nfs/dbraw/zinc/87/99/83/585879983.db2.gz FCGADRFXZZZUCG-ZDUSSCGKSA-N 1 0 227.348 2.474 20 30 BEEDRO Cc1cc(C[N@H+]2CCOCC[C@H]2C)ccc1C#N ZINC000785785472 585881031 /nfs/dbraw/zinc/88/10/31/585881031.db2.gz JNUKUBCXVBRZAI-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO C#CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000805792183 585884290 /nfs/dbraw/zinc/88/42/90/585884290.db2.gz RAONMPHGTOKRSF-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C/C=C(/C)C(=O)OC ZINC000785998210 585884882 /nfs/dbraw/zinc/88/48/82/585884882.db2.gz ZFJWQUOKHMCBSH-NXIHDVOMSA-N 1 0 223.316 2.146 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C/C=C(/C)C(=O)OC ZINC000785998209 585884912 /nfs/dbraw/zinc/88/49/12/585884912.db2.gz ZFJWQUOKHMCBSH-KGTBHZDVSA-N 1 0 223.316 2.146 20 30 BEEDRO C=CCCN(C)Cn1nc(C)sc1=S ZINC000786101565 585887450 /nfs/dbraw/zinc/88/74/50/585887450.db2.gz MFXLZPMBEYCGAS-UHFFFAOYSA-N 1 0 229.374 2.448 20 30 BEEDRO C=CCCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC000786222852 585888692 /nfs/dbraw/zinc/88/86/92/585888692.db2.gz CLULTYAIBKHAFL-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO CC[C@H](C(=O)O[C@@H](CC)CC#N)[NH+](CC)CC ZINC000787085592 585900743 /nfs/dbraw/zinc/90/07/43/585900743.db2.gz DFBUXLUDILQFBW-NWDGAFQWSA-N 1 0 240.347 2.342 20 30 BEEDRO C[C@H]1CNC(NN=C(CC(C)(C)C)C2CC2)=[NH+]1 ZINC000787163210 585902204 /nfs/dbraw/zinc/90/22/04/585902204.db2.gz UIRQBFOHKYUCKR-VIFPVBQESA-N 1 0 236.363 2.126 20 30 BEEDRO C[C@@H]1CNC(NN=C(CC(C)(C)C)C2CC2)=[NH+]1 ZINC000787163208 585902321 /nfs/dbraw/zinc/90/23/21/585902321.db2.gz UIRQBFOHKYUCKR-SECBINFHSA-N 1 0 236.363 2.126 20 30 BEEDRO CC(C)CN=NC1CCC[C@@H]([NH+](C)C)C1 ZINC000788437379 585923409 /nfs/dbraw/zinc/92/34/09/585923409.db2.gz QTSWXRJDDPJJNT-GFCCVEGCSA-N 1 0 211.353 2.092 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788779661 585930317 /nfs/dbraw/zinc/93/03/17/585930317.db2.gz YMMAQPSYONVZDA-JTQLQIEISA-N 1 0 247.298 2.241 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000788981543 585932853 /nfs/dbraw/zinc/93/28/53/585932853.db2.gz RSYQHFQODYUIFW-LLVKDONJSA-N 1 0 245.313 2.440 20 30 BEEDRO C=CCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000789801138 585950304 /nfs/dbraw/zinc/95/03/04/585950304.db2.gz MCRBQTRNVOZHAX-LBPRGKRZSA-N 1 0 223.316 2.123 20 30 BEEDRO C=CCC[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000789804257 585950832 /nfs/dbraw/zinc/95/08/32/585950832.db2.gz LAPXSMISUUOMJH-NWDGAFQWSA-N 1 0 227.348 2.471 20 30 BEEDRO CCCCN[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000790157964 585958966 /nfs/dbraw/zinc/95/89/66/585958966.db2.gz KZFPXHALKULMMA-UHFFFAOYSA-N 1 0 234.347 2.261 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000790483950 585965148 /nfs/dbraw/zinc/96/51/48/585965148.db2.gz OESWIWWYUCWIEU-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C=CCC(CC=C)C(=O)OCCC[NH+](C)C ZINC000792024090 585993931 /nfs/dbraw/zinc/99/39/31/585993931.db2.gz LKMAAXJGAMKMMQ-UHFFFAOYSA-N 1 0 225.332 2.250 20 30 BEEDRO C#CCCC[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000792929790 586007078 /nfs/dbraw/zinc/00/70/78/586007078.db2.gz YWFJJNQWYZUFSF-UHFFFAOYSA-N 1 0 231.343 2.311 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792923981 586007163 /nfs/dbraw/zinc/00/71/63/586007163.db2.gz VZQPZMMBFVGJFT-STQMWFEESA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794609732 586045822 /nfs/dbraw/zinc/04/58/22/586045822.db2.gz FRTGPIZEFGXLOQ-GJZGRUSLSA-N 1 0 231.339 2.358 20 30 BEEDRO CC(=[NH+][N-]c1cncnc1)c1ccc(N)cc1C ZINC000794976490 586060418 /nfs/dbraw/zinc/06/04/18/586060418.db2.gz LCVGNLRMCBQOFL-UHFFFAOYSA-N 1 0 241.298 2.203 20 30 BEEDRO C#CCC[N@@H+](CCC)CCN1CCCCC1 ZINC000796460216 586104260 /nfs/dbraw/zinc/10/42/60/586104260.db2.gz ULNDAZSIWCQOEG-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO CCCCCCC[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000796576190 586107582 /nfs/dbraw/zinc/10/75/82/586107582.db2.gz VRJLKZPIOIBNKF-ZIAGYGMSSA-N 1 0 243.391 2.429 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000798294639 586142361 /nfs/dbraw/zinc/14/23/61/586142361.db2.gz HDTOFWFJEHYVGS-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCC(C)(C)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798850117 586151511 /nfs/dbraw/zinc/15/15/11/586151511.db2.gz KRWHONOOOSWSKJ-GFCCVEGCSA-N 1 0 239.359 2.165 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000799719673 586193984 /nfs/dbraw/zinc/19/39/84/586193984.db2.gz UQMKOOCDMXGCIJ-TZMCWYRMSA-N 1 0 229.327 2.380 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000799716772 586194097 /nfs/dbraw/zinc/19/40/97/586194097.db2.gz XCVXSNKMAIWQRE-SWHYSGLUSA-N 1 0 248.301 2.141 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000799716769 586194151 /nfs/dbraw/zinc/19/41/51/586194151.db2.gz XCVXSNKMAIWQRE-DDTOSNHZSA-N 1 0 248.301 2.141 20 30 BEEDRO CCOC(CC[NH2+][C@H]1CC[C@@H](C#N)C1)OCC ZINC000799724747 586194972 /nfs/dbraw/zinc/19/49/72/586194972.db2.gz IIAZPSDSLBXQEA-NEPJUHHUSA-N 1 0 240.347 2.057 20 30 BEEDRO C(C[NH+]1CCCCC1)NN=C1CCC12CCC2 ZINC000799875829 586199786 /nfs/dbraw/zinc/19/97/86/586199786.db2.gz DZLMEAVJNWRCQB-UHFFFAOYSA-N 1 0 235.375 2.382 20 30 BEEDRO C1[C@H]2C(=NNC3=[NH+][C@H]4CCCC[C@H]4N3)CCC[C@@H]12 ZINC000800815380 586232321 /nfs/dbraw/zinc/23/23/21/586232321.db2.gz WNEKFFQYZGOBJP-JULQROHOSA-N 1 0 246.358 2.022 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000859445103 589037493 /nfs/dbraw/zinc/03/74/93/589037493.db2.gz BDUTZQHVAJQQTN-OLZOCXBDSA-N 1 0 249.354 2.370 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801568251 586264043 /nfs/dbraw/zinc/26/40/43/586264043.db2.gz PUWRSXHYYQDQLC-UWVGGRQHSA-N 1 0 219.275 2.307 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801588654 586264962 /nfs/dbraw/zinc/26/49/62/586264962.db2.gz BZOSTWOQJXTSGQ-OKILXGFUSA-N 1 0 241.375 2.447 20 30 BEEDRO C=C(CC)COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801875513 586276027 /nfs/dbraw/zinc/27/60/27/586276027.db2.gz PBVJBVLLPJDLMH-UHFFFAOYSA-N 1 0 237.343 2.370 20 30 BEEDRO C=C(Cl)COC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801874232 586276148 /nfs/dbraw/zinc/27/61/48/586276148.db2.gz NKNPFYFGBJLNHJ-UHFFFAOYSA-N 1 0 243.734 2.157 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C1Cc2ccccc2C1 ZINC000801916215 586276269 /nfs/dbraw/zinc/27/62/69/586276269.db2.gz RKBAXELVVPBFBO-LBPRGKRZSA-N 1 0 244.338 2.014 20 30 BEEDRO Cc1cccc2c1CC[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000801918619 586277026 /nfs/dbraw/zinc/27/70/26/586277026.db2.gz UBCVHKHVKHWSGW-ZDUSSCGKSA-N 1 0 244.338 2.282 20 30 BEEDRO CC[C@H](c1ccncc1)[N@H+](C)CCO[C@@H](C)C#N ZINC000801935955 586279283 /nfs/dbraw/zinc/27/92/83/586279283.db2.gz NQGKBHCWHPPFTP-GXTWGEPZSA-N 1 0 247.342 2.393 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1cccc(C#N)c1 ZINC000801937510 586279557 /nfs/dbraw/zinc/27/95/57/586279557.db2.gz OXYBCRQADHDYIS-NWDGAFQWSA-N 1 0 243.310 2.138 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000801938365 586279732 /nfs/dbraw/zinc/27/97/32/586279732.db2.gz FSVWXOKVMCQJDA-VXGBXAGGSA-N 1 0 224.348 2.283 20 30 BEEDRO C#CC[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000801937381 586279811 /nfs/dbraw/zinc/27/98/11/586279811.db2.gz LMJABBFQANPEHS-DZGCQCFKSA-N 1 0 242.322 2.269 20 30 BEEDRO Cc1ccc(C(C)(C)[NH2+]CCO[C@@H](C)C#N)cn1 ZINC000801940954 586280777 /nfs/dbraw/zinc/28/07/77/586280777.db2.gz GRTMYJYCQAMURI-LBPRGKRZSA-N 1 0 247.342 2.143 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000802012300 586285818 /nfs/dbraw/zinc/28/58/18/586285818.db2.gz JQTUGIGGSIHQLI-GFCCVEGCSA-N 1 0 217.328 2.363 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@@H]2CCC[C@@H]2C1=O ZINC000839998279 586344841 /nfs/dbraw/zinc/34/48/41/586344841.db2.gz HNJBBZOUHOMPOW-STQMWFEESA-N 1 0 236.359 2.100 20 30 BEEDRO C#CCCC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000859617882 589049346 /nfs/dbraw/zinc/04/93/46/589049346.db2.gz FMTYYBDUMLCNOJ-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)nc1 ZINC000806161838 586405737 /nfs/dbraw/zinc/40/57/37/586405737.db2.gz UWRBOJQJOHFWRV-KBPBESRZSA-N 1 0 227.311 2.231 20 30 BEEDRO C=CCCC[N@@H+](C)CN1CC(C)(C)CC1=O ZINC000808160003 586465403 /nfs/dbraw/zinc/46/54/03/586465403.db2.gz LNLHVSOQXHHXSH-UHFFFAOYSA-N 1 0 224.348 2.100 20 30 BEEDRO C=CCC[N@@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000808180303 586466833 /nfs/dbraw/zinc/46/68/33/586466833.db2.gz XKKASCQSUUOUFL-CYBMUJFWSA-N 1 0 224.348 2.100 20 30 BEEDRO N#CC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000809569953 586507443 /nfs/dbraw/zinc/50/74/43/586507443.db2.gz HLPWRDXFNRSQBJ-CQSZACIVSA-N 1 0 248.301 2.065 20 30 BEEDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000809578614 586507824 /nfs/dbraw/zinc/50/78/24/586507824.db2.gz NYEWMHFENSLBMV-MJBXVCDLSA-N 1 0 238.375 2.455 20 30 BEEDRO C[N@H+](Cc1ccccc1O)CC(C)(C)C#N ZINC000809575770 586508131 /nfs/dbraw/zinc/50/81/31/586508131.db2.gz KTFTZLZYCXSLQI-UHFFFAOYSA-N 1 0 218.300 2.374 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1 ZINC000809619889 586509356 /nfs/dbraw/zinc/50/93/56/586509356.db2.gz HXEHJIZLELSFQE-OAHLLOKOSA-N 1 0 229.323 2.184 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@](O)(CC)C2)cc1 ZINC000809646178 586510733 /nfs/dbraw/zinc/51/07/33/586510733.db2.gz VXJRGFSVZZATLO-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#CCCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000810094902 586533642 /nfs/dbraw/zinc/53/36/42/586533642.db2.gz YTYQZRNSZVAXSJ-ZIAGYGMSSA-N 1 0 233.355 2.433 20 30 BEEDRO C=CCCOC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810542600 586540692 /nfs/dbraw/zinc/54/06/92/586540692.db2.gz JVXJTBKVWJQCMR-ZDUSSCGKSA-N 1 0 243.322 2.318 20 30 BEEDRO C=C[C@@H](C)OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810700409 586544909 /nfs/dbraw/zinc/54/49/09/586544909.db2.gz FYROHTNXIHCMMK-ZWNOBZJWSA-N 1 0 243.322 2.317 20 30 BEEDRO CC(C)OCCON=C1CCC[C@H]([NH+](C)C)C1 ZINC000812237609 586571852 /nfs/dbraw/zinc/57/18/52/586571852.db2.gz IJAWNUSVDRCKNH-ZDUSSCGKSA-N 1 0 242.363 2.288 20 30 BEEDRO CC(=[NH+]OCCOC(C)C)c1ccc(N)cc1 ZINC000812240492 586572239 /nfs/dbraw/zinc/57/22/39/586572239.db2.gz SPIXAAURHDYCPP-UHFFFAOYSA-N 1 0 236.315 2.434 20 30 BEEDRO CC(C)OCCON=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000812240417 586572345 /nfs/dbraw/zinc/57/23/45/586572345.db2.gz PCFRDZDGHQNDGL-LLVKDONJSA-N 1 0 240.347 2.041 20 30 BEEDRO CC#CC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850119 586588042 /nfs/dbraw/zinc/58/80/42/586588042.db2.gz LLOULODFLOTVJG-ZFWWWQNUSA-N 1 0 231.339 2.454 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)C(CC)CC ZINC000813857261 586608408 /nfs/dbraw/zinc/60/84/08/586608408.db2.gz RKIUGZHOSJQEEC-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO COC(=O)[C@@H](C)CC=[NH+]n1cnc2ccccc21 ZINC000814216912 586617893 /nfs/dbraw/zinc/61/78/93/586617893.db2.gz IIEOTLDWHSIUNA-JTQLQIEISA-N 1 0 245.282 2.069 20 30 BEEDRO CC[N@@H+]1CCC(=NOCC2CC2)[C@@H](C)C1 ZINC000814241254 586619417 /nfs/dbraw/zinc/61/94/17/586619417.db2.gz HWVTYJMOKNFNSS-JTQLQIEISA-N 1 0 210.321 2.131 20 30 BEEDRO CC[N@@H+]1CCC(=NOCC2CC2)[C@H](C)C1 ZINC000814241258 586619468 /nfs/dbraw/zinc/61/94/68/586619468.db2.gz HWVTYJMOKNFNSS-SNVBAGLBSA-N 1 0 210.321 2.131 20 30 BEEDRO C[C@@H]1CC(=NOCC2CC2)C[N@@H+]1C1CC1 ZINC000814243221 586619656 /nfs/dbraw/zinc/61/96/56/586619656.db2.gz LTTYLKWUPBAFDT-SECBINFHSA-N 1 0 208.305 2.026 20 30 BEEDRO CCN(C)c1ccc(C=[NH+]OCC2CC2)cn1 ZINC000814243888 586619803 /nfs/dbraw/zinc/61/98/03/586619803.db2.gz RRYCYJUWGPQTGQ-UHFFFAOYSA-N 1 0 233.315 2.298 20 30 BEEDRO c1nncn1[NH+]=C1CCCC12CCCC2 ZINC000814681995 586629102 /nfs/dbraw/zinc/62/91/02/586629102.db2.gz DJOPYIQVALWGIV-UHFFFAOYSA-N 1 0 204.277 2.227 20 30 BEEDRO C(=[NH+]n1cnc2ccccc21)[C@H]1CCCOC1 ZINC000814779776 586633634 /nfs/dbraw/zinc/63/36/34/586633634.db2.gz SEBYUPHOYVAUBM-LLVKDONJSA-N 1 0 229.283 2.297 20 30 BEEDRO CCON=C(C)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814788545 586634116 /nfs/dbraw/zinc/63/41/16/586634116.db2.gz ZRVXYRVEEOPSTM-UHFFFAOYSA-N 1 0 232.327 2.135 20 30 BEEDRO CC(=NOCC(C)C)C1CC[NH+](C)CC1 ZINC000814883896 586642712 /nfs/dbraw/zinc/64/27/12/586642712.db2.gz GRPCDNCVRLGTTQ-UHFFFAOYSA-N 1 0 212.337 2.377 20 30 BEEDRO C=CCC1([NH2+]CC[S@](C)=O)CCCCC1 ZINC000859744815 589058196 /nfs/dbraw/zinc/05/81/96/589058196.db2.gz JOTUGRMVDYOBCM-HNNXBMFYSA-N 1 0 229.389 2.234 20 30 BEEDRO CC(=NOC[C@@H]1CCOC1)c1ccc(C)nc1C ZINC000814911869 586649422 /nfs/dbraw/zinc/64/94/22/586649422.db2.gz FWRFCHANBMCYKF-CYBMUJFWSA-N 1 0 248.326 2.476 20 30 BEEDRO C=CCN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814928066 586652649 /nfs/dbraw/zinc/65/26/49/586652649.db2.gz UIOOTFLQFAHRLT-SNVBAGLBSA-N 1 0 227.311 2.469 20 30 BEEDRO CC#CC[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000815283883 586677142 /nfs/dbraw/zinc/67/71/42/586677142.db2.gz VFPRZAWTKIYNRV-UHFFFAOYSA-N 1 0 242.322 2.282 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000815287088 586677301 /nfs/dbraw/zinc/67/73/01/586677301.db2.gz QMCZPADNWRXTNL-CYBMUJFWSA-N 1 0 237.730 2.329 20 30 BEEDRO C=CCC(F)(F)C(=O)OCCC[NH+](CC)CC ZINC000815311731 586678241 /nfs/dbraw/zinc/67/82/41/586678241.db2.gz WMWROSUTUNHIOX-UHFFFAOYSA-N 1 0 249.301 2.473 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588711 586688231 /nfs/dbraw/zinc/68/82/31/586688231.db2.gz WXMIVIDQSLAOPY-DTWKUNHWSA-N 1 0 235.287 2.402 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](O)CC12CCC2 ZINC000817289677 586793466 /nfs/dbraw/zinc/79/34/66/586793466.db2.gz BSOSLYOPIIBHKY-JTQLQIEISA-N 1 0 215.724 2.118 20 30 BEEDRO c1nncn1[NH+]=C1CC2(C1)CCCCC2 ZINC000817321614 586794145 /nfs/dbraw/zinc/79/41/45/586794145.db2.gz MTYMOXIFOUKFLP-UHFFFAOYSA-N 1 0 204.277 2.227 20 30 BEEDRO Cc1cc(C)[nH+]c(NNC=CC(F)(F)F)n1 ZINC000817321165 586794217 /nfs/dbraw/zinc/79/42/17/586794217.db2.gz FLJNOSQTOWASDE-UHFFFAOYSA-N 1 0 232.209 2.444 20 30 BEEDRO CN(CCF)Cc1ccc(C#N)c(F)c1 ZINC000817409178 586801309 /nfs/dbraw/zinc/80/13/09/586801309.db2.gz CMHNIDKZMLAFFO-UHFFFAOYSA-N 1 0 210.227 2.099 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000817640211 586815379 /nfs/dbraw/zinc/81/53/79/586815379.db2.gz PXLKNPOQLOROAU-NSHDSACASA-N 1 0 244.338 2.255 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000817640209 586815625 /nfs/dbraw/zinc/81/56/25/586815625.db2.gz PXLKNPOQLOROAU-LLVKDONJSA-N 1 0 244.338 2.255 20 30 BEEDRO C=C(Cl)CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000817903853 586837485 /nfs/dbraw/zinc/83/74/85/586837485.db2.gz MGZTYGTUPZWBTB-VIFPVBQESA-N 1 0 239.750 2.252 20 30 BEEDRO C#CCOc1ccc([C@H](C)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000817977236 586861355 /nfs/dbraw/zinc/86/13/55/586861355.db2.gz FIFILOHMBLJTHM-AGIUHOORSA-N 1 0 246.354 2.085 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1nn(CC)nc1C)C1CC1 ZINC000818345952 586887127 /nfs/dbraw/zinc/88/71/27/586887127.db2.gz YTBLGSFCYNXHAM-CYBMUJFWSA-N 1 0 248.374 2.441 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)n(C)n1 ZINC000818355828 586888523 /nfs/dbraw/zinc/88/85/23/586888523.db2.gz JGKBDDSISJHPGO-GRYCIOLGSA-N 1 0 232.331 2.071 20 30 BEEDRO CCCCCCC[C@@H](C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000818482786 586894699 /nfs/dbraw/zinc/89/46/99/586894699.db2.gz NGGPHNIOUPUDPJ-CHWSQXEVSA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000819046723 586927150 /nfs/dbraw/zinc/92/71/50/586927150.db2.gz CCFQCJHCNGGEIT-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@H](O)CC)c1ccncc1 ZINC000819073569 586928799 /nfs/dbraw/zinc/92/87/99/586928799.db2.gz GNAXUKBHFLLLQN-CHWSQXEVSA-N 1 0 220.316 2.059 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000819116649 586931381 /nfs/dbraw/zinc/93/13/81/586931381.db2.gz WKIKFSUWMYMGFU-CQSZACIVSA-N 1 0 217.312 2.031 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000819115403 586931498 /nfs/dbraw/zinc/93/14/98/586931498.db2.gz ANGBBZUPSQDLIK-ZFWWWQNUSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)CCC(C)C ZINC000819153548 586933617 /nfs/dbraw/zinc/93/36/17/586933617.db2.gz HNPDDJNQSFTTES-ZDUSSCGKSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000819156653 586934339 /nfs/dbraw/zinc/93/43/39/586934339.db2.gz JMVVBMKGGNRXBA-HNNXBMFYSA-N 1 0 249.329 2.122 20 30 BEEDRO C#CCCCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000819157215 586934355 /nfs/dbraw/zinc/93/43/55/586934355.db2.gz PHMQHZNUJFFTIJ-UHFFFAOYSA-N 1 0 244.338 2.408 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819213656 586939467 /nfs/dbraw/zinc/93/94/67/586939467.db2.gz OEPVJSPAEJKJNR-CQSZACIVSA-N 1 0 217.312 2.031 20 30 BEEDRO C=CCCCC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819237784 586941882 /nfs/dbraw/zinc/94/18/82/586941882.db2.gz NUSWDENSOUPUOO-ZDUSSCGKSA-N 1 0 238.306 2.200 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819283652 586947775 /nfs/dbraw/zinc/94/77/75/586947775.db2.gz LUSPZNPNPPTPMT-YPMHNXCESA-N 1 0 238.306 2.198 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000819357285 586956295 /nfs/dbraw/zinc/95/62/95/586956295.db2.gz OXMBMCDAMSOIGF-CQSZACIVSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC2(O)CCCC2)c1 ZINC000819356989 586956404 /nfs/dbraw/zinc/95/64/04/586956404.db2.gz JXJNXGJYDQDELF-UHFFFAOYSA-N 1 0 229.323 2.063 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CCC#N ZINC000819377920 586959145 /nfs/dbraw/zinc/95/91/45/586959145.db2.gz WKRCPAJSEGPTMF-ZDUSSCGKSA-N 1 0 245.370 2.495 20 30 BEEDRO C[C@@H](N=NC1CCC[N@H+](C)CC1)c1ccncc1 ZINC000819815756 586998357 /nfs/dbraw/zinc/99/83/57/586998357.db2.gz CPOQBOZZYFJTQQ-GFCCVEGCSA-N 1 0 246.358 2.204 20 30 BEEDRO C#CCCCOc1cccnc1N1CCCC1 ZINC000820598701 587058098 /nfs/dbraw/zinc/05/80/98/587058098.db2.gz HLHDDAOPQZPCQG-UHFFFAOYSA-N 1 0 230.311 2.474 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000820688157 587066237 /nfs/dbraw/zinc/06/62/37/587066237.db2.gz LOHYQHYOGPFVBL-FRRDWIJNSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000820688158 587066389 /nfs/dbraw/zinc/06/63/89/587066389.db2.gz LOHYQHYOGPFVBL-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CC[NH2+][C@H]1c2sccc2OC(C)(C)[C@@H]1O ZINC000821305859 587106330 /nfs/dbraw/zinc/10/63/30/587106330.db2.gz OUCQYQWMKRIFMA-GXSJLCMTSA-N 1 0 239.340 2.097 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000821428714 587119294 /nfs/dbraw/zinc/11/92/94/587119294.db2.gz QGEMPUFMSFEZRB-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](C/C=C\C)C1 ZINC000860185668 589087774 /nfs/dbraw/zinc/08/77/74/589087774.db2.gz RTKGTKJGKLAIAV-PKXJPQMGSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000822790205 587185790 /nfs/dbraw/zinc/18/57/90/587185790.db2.gz FHUOXVPJWLJGKY-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2C[C@]23CC[NH2+]C3)n1 ZINC000823247953 587211173 /nfs/dbraw/zinc/21/11/73/587211173.db2.gz MAVLWLSVOBVSDF-YGRLFVJLSA-N 1 0 247.342 2.390 20 30 BEEDRO C=CCOCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823607034 587232793 /nfs/dbraw/zinc/23/27/93/587232793.db2.gz XWSIZHAKJZOCJC-OAHLLOKOSA-N 1 0 249.354 2.029 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCS(=O)(=O)CC ZINC000823778046 587240213 /nfs/dbraw/zinc/24/02/13/587240213.db2.gz KTWJVFXPIRQPIH-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC[S@@](=O)CC ZINC000823875666 587244913 /nfs/dbraw/zinc/24/49/13/587244913.db2.gz DXTSBOUMSZIMBR-WFASDCNBSA-N 1 0 231.405 2.480 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccnc(Cl)c1F ZINC000824136536 587257670 /nfs/dbraw/zinc/25/76/70/587257670.db2.gz WUJDLJZPWOSSJS-UHFFFAOYSA-N 1 0 244.697 2.166 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC(C)(C)C ZINC000824143552 587257840 /nfs/dbraw/zinc/25/78/40/587257840.db2.gz VZCBEOPUCCOQCE-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000824271858 587264183 /nfs/dbraw/zinc/26/41/83/587264183.db2.gz YWDRQLOOLYEOGY-RWMBFGLXSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000824364281 587267551 /nfs/dbraw/zinc/26/75/51/587267551.db2.gz YZRWHGXLSWGTTP-LBPRGKRZSA-N 1 0 245.322 2.349 20 30 BEEDRO C=CC[N@H+](Cc1cnc2n1CCC2)C(C)C ZINC000824582236 587278234 /nfs/dbraw/zinc/27/82/34/587278234.db2.gz ZRFNLPJGOYBCGD-UHFFFAOYSA-N 1 0 219.332 2.226 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824690359 587282703 /nfs/dbraw/zinc/28/27/03/587282703.db2.gz AYRYCSFARYDTKT-XUXIUFHCSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000824743862 587285457 /nfs/dbraw/zinc/28/54/57/587285457.db2.gz RJGHSHSGNRJEEB-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(F)ncc1F ZINC000824750440 587285858 /nfs/dbraw/zinc/28/58/58/587285858.db2.gz JQMJNEQMCKYLOE-UHFFFAOYSA-N 1 0 212.243 2.416 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000824862133 587291074 /nfs/dbraw/zinc/29/10/74/587291074.db2.gz WFRGQCSKCYBJFJ-OCCSQVGLSA-N 1 0 233.311 2.134 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000824862424 587291205 /nfs/dbraw/zinc/29/12/05/587291205.db2.gz ZROMIQVXEZCRGI-OLZOCXBDSA-N 1 0 233.311 2.134 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCCOCC2)c1 ZINC000825225787 587310073 /nfs/dbraw/zinc/31/00/73/587310073.db2.gz ADKRFEXZLFULMU-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)COCC)c1 ZINC000825227447 587310381 /nfs/dbraw/zinc/31/03/81/587310381.db2.gz UAWBZAQQPJSXFX-GFCCVEGCSA-N 1 0 217.312 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000825227563 587310527 /nfs/dbraw/zinc/31/05/27/587310527.db2.gz UTSXCDFIYASRNL-AWEZNQCLSA-N 1 0 229.323 2.184 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CC1CC1)C(C)C ZINC000825878266 587343506 /nfs/dbraw/zinc/34/35/06/587343506.db2.gz HPBCGGIUOZAKKQ-CQSZACIVSA-N 1 0 231.343 2.041 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)C(C)C ZINC000825878432 587343542 /nfs/dbraw/zinc/34/35/42/587343542.db2.gz NMPWSEXXRGLZJY-GFCCVEGCSA-N 1 0 249.310 2.122 20 30 BEEDRO CCCCCCCCCNC(=O)[C@H]1CC[NH2+]1 ZINC000826602250 587356161 /nfs/dbraw/zinc/35/61/61/587356161.db2.gz CISQQQAOGRQZNC-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO Cc1ccncc1CCC[NH+]1CC(CC#N)C1 ZINC000826990187 587367031 /nfs/dbraw/zinc/36/70/31/587367031.db2.gz BYEAQCQRSRWNQX-UHFFFAOYSA-N 1 0 229.327 2.168 20 30 BEEDRO C#C[C@H]([NH2+]C(CC)CC)C1CCOCC1 ZINC000827561051 587388438 /nfs/dbraw/zinc/38/84/38/587388438.db2.gz XLEFVDWCEJFKLE-ZDUSSCGKSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccoc1)C1CCOCC1 ZINC000827554367 587387702 /nfs/dbraw/zinc/38/77/02/587387702.db2.gz CZZGSLIIWFKUNX-DOMZBBRYSA-N 1 0 247.338 2.229 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)C1CCOCC1 ZINC000827559495 587387950 /nfs/dbraw/zinc/38/79/50/587387950.db2.gz GHEGFLVRADYSAB-KKUMJFAQSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CCC1)C1CCOCC1 ZINC000827558958 587388175 /nfs/dbraw/zinc/38/81/75/587388175.db2.gz BKQJVZLIKKRORD-FZMZJTMJSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+]CC(CC)CC)C1CCOCC1 ZINC000827564785 587388249 /nfs/dbraw/zinc/38/82/49/587388249.db2.gz GGUJTVUQIJZACS-AWEZNQCLSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H]1C)C1CCOCC1 ZINC000827565783 587389049 /nfs/dbraw/zinc/38/90/49/587389049.db2.gz ONCTUMZOXCODNJ-UBHSHLNASA-N 1 0 221.344 2.193 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCc1ccccc1F ZINC000827787790 587402455 /nfs/dbraw/zinc/40/24/55/587402455.db2.gz KKZAKOIDSDOGLT-CQSZACIVSA-N 1 0 237.318 2.237 20 30 BEEDRO CCC[C@@H](O)C[N@H+](CCC#N)CC(C)C ZINC000827872618 587406494 /nfs/dbraw/zinc/40/64/94/587406494.db2.gz DVDOSAOFWNMUHN-GFCCVEGCSA-N 1 0 212.337 2.019 20 30 BEEDRO C#CCN(CC)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000827991578 587412635 /nfs/dbraw/zinc/41/26/35/587412635.db2.gz SDEJEXUPWFGHOF-AWEZNQCLSA-N 1 0 222.376 2.204 20 30 BEEDRO C#CC[N@@H+](CCC(=O)CC(C)C)C1CC1 ZINC000828268044 587425236 /nfs/dbraw/zinc/42/52/36/587425236.db2.gz CLEWOXYODVYKPJ-UHFFFAOYSA-N 1 0 207.317 2.089 20 30 BEEDRO C#C[C@H]([NH2+]CC12CCC(CC1)C2)[C@H]1CCCO1 ZINC000828952852 587475074 /nfs/dbraw/zinc/47/50/74/587475074.db2.gz CNXFBSYOGRUWGX-RAFNIBEQSA-N 1 0 233.355 2.337 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829338242 587493444 /nfs/dbraw/zinc/49/34/44/587493444.db2.gz SGMKIVUFNOASKF-HNNXBMFYSA-N 1 0 231.339 2.328 20 30 BEEDRO C=CCCCC[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000829384225 587494767 /nfs/dbraw/zinc/49/47/67/587494767.db2.gz BTGLJQLJSYEOIX-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000829532951 587502366 /nfs/dbraw/zinc/50/23/66/587502366.db2.gz HOHIBILXCVZCSD-MRXNPFEDSA-N 1 0 243.350 2.283 20 30 BEEDRO C#CCC[NH2+]C1(c2ccccc2OC)CC1 ZINC000829702682 587510178 /nfs/dbraw/zinc/51/01/78/587510178.db2.gz XQCXAVHMZMKDPZ-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC000829768543 587514602 /nfs/dbraw/zinc/51/46/02/587514602.db2.gz FVKGLDJOVXLKCF-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000829779416 587515782 /nfs/dbraw/zinc/51/57/82/587515782.db2.gz UDNCPTPPMNLTCQ-AWEZNQCLSA-N 1 0 245.370 2.088 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000829779101 587515891 /nfs/dbraw/zinc/51/58/91/587515891.db2.gz MSPWILVPOOROEF-JQWIXIFHSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)CCC=C)C1 ZINC000829788808 587516288 /nfs/dbraw/zinc/51/62/88/587516288.db2.gz HDXMRRCJWBIWLJ-UONOGXRCSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCN2CCCCC2)C1 ZINC000829784964 587516485 /nfs/dbraw/zinc/51/64/85/587516485.db2.gz OIVIGAWYFCLZBK-OAHLLOKOSA-N 1 0 234.387 2.208 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC000829789442 587516694 /nfs/dbraw/zinc/51/66/94/587516694.db2.gz WFPMBXBMQOQAMW-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000829789135 587516734 /nfs/dbraw/zinc/51/67/34/587516734.db2.gz OLHVNMWCKMVAEF-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCN2CCC(C)CC2)C1 ZINC000829805992 587517677 /nfs/dbraw/zinc/51/76/77/587517677.db2.gz YXOYKKQDHVGNQB-INIZCTEOSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000829805851 587517859 /nfs/dbraw/zinc/51/78/59/587517859.db2.gz WHMXMNDVGIUXBA-OAHLLOKOSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000829810401 587518284 /nfs/dbraw/zinc/51/82/84/587518284.db2.gz PQEPULMZSAXSOQ-LLVKDONJSA-N 1 0 231.286 2.003 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000829810163 587518295 /nfs/dbraw/zinc/51/82/95/587518295.db2.gz MITDJSZNOWXOCF-LBPRGKRZSA-N 1 0 202.301 2.025 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCC(=O)C2CC2)C1 ZINC000829811182 587519238 /nfs/dbraw/zinc/51/92/38/587519238.db2.gz ZFAQAJKRGSSFNA-GFCCVEGCSA-N 1 0 219.328 2.091 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000830038301 587532441 /nfs/dbraw/zinc/53/24/41/587532441.db2.gz AUCNDAJCNAXKLR-MNOVXSKESA-N 1 0 244.766 2.153 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000830213553 587541897 /nfs/dbraw/zinc/54/18/97/587541897.db2.gz ISFURWXZRWCNDO-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C#CC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000830321230 587545730 /nfs/dbraw/zinc/54/57/30/587545730.db2.gz BQFJFQZKPOUDKN-UHFFFAOYSA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC1CC[NH+](CCCc2ccncc2)CC1 ZINC000830345682 587546748 /nfs/dbraw/zinc/54/67/48/587546748.db2.gz NBNLFGXARPYNSL-UHFFFAOYSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)CCC(C)C)CC1 ZINC000830345692 587547039 /nfs/dbraw/zinc/54/70/39/587547039.db2.gz NLLKAPJKECITHO-CQSZACIVSA-N 1 0 223.360 2.129 20 30 BEEDRO Cc1ccccc1CC[N@@H+](C)CCO[C@@H](C)C#N ZINC000830391695 587548777 /nfs/dbraw/zinc/54/87/77/587548777.db2.gz YHOZKHOZIVIMKG-AWEZNQCLSA-N 1 0 246.354 2.398 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC#N)[C@@H]1SC ZINC000830457076 587551910 /nfs/dbraw/zinc/55/19/10/587551910.db2.gz XVNHESMRPSYVDP-QCNOEVLYSA-N 1 0 242.388 2.177 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000830520443 587555733 /nfs/dbraw/zinc/55/57/33/587555733.db2.gz WVOTXYOBSRBJMC-SNVBAGLBSA-N 1 0 203.713 2.097 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@](C)(COC)C1 ZINC000830520442 587555349 /nfs/dbraw/zinc/55/53/49/587555349.db2.gz WVOTXYOBSRBJMC-JTQLQIEISA-N 1 0 203.713 2.097 20 30 BEEDRO C#CCCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000830603290 587558967 /nfs/dbraw/zinc/55/89/67/587558967.db2.gz NLQRENOUJQRQBR-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831005559 587581985 /nfs/dbraw/zinc/58/19/85/587581985.db2.gz NEUWVMQHVZDZRP-RFGFWPKPSA-N 1 0 201.313 2.154 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C1(C)C ZINC000831309543 587597121 /nfs/dbraw/zinc/59/71/21/587597121.db2.gz WCWFGHGHKNEJPO-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CCCC[N@@H+]1CCOCC12CCCCC2 ZINC000832174945 587648582 /nfs/dbraw/zinc/64/85/82/587648582.db2.gz CEZNSAYHPZZPMJ-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000832510785 587664482 /nfs/dbraw/zinc/66/44/82/587664482.db2.gz FDYITYWDXZCYCQ-LBPRGKRZSA-N 1 0 209.358 2.229 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H]1CC ZINC000834349686 587752896 /nfs/dbraw/zinc/75/28/96/587752896.db2.gz IDOBHOHSTCDWNN-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)C(C)(C)CC ZINC000834814332 587767513 /nfs/dbraw/zinc/76/75/13/587767513.db2.gz IJVBDYLILMIDCJ-CYBMUJFWSA-N 1 0 224.392 2.356 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000834888908 587769780 /nfs/dbraw/zinc/76/97/80/587769780.db2.gz QZHRKLSKGJEQJC-SUHUHFCYSA-N 1 0 233.311 2.386 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)CCCCO)c1 ZINC000834902561 587769956 /nfs/dbraw/zinc/76/99/56/587769956.db2.gz JKASAXMHOXFKKD-ZDUSSCGKSA-N 1 0 231.339 2.309 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000834903948 587770001 /nfs/dbraw/zinc/77/00/01/587770001.db2.gz UHPKARSEDAYYJT-CQSZACIVSA-N 1 0 229.323 2.325 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@H]1CCCC[C@H]1C ZINC000834912279 587770591 /nfs/dbraw/zinc/77/05/91/587770591.db2.gz NHUQEWWSNIDMLJ-KOLCDFICSA-N 1 0 206.293 2.328 20 30 BEEDRO Fc1ccccc1CNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000835011474 587777780 /nfs/dbraw/zinc/77/77/80/587777780.db2.gz MUQBJBKORAXQNV-CQSZACIVSA-N 1 0 247.317 2.139 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000835083836 587781403 /nfs/dbraw/zinc/78/14/03/587781403.db2.gz FRCDZQJXSUAFNP-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835091625 587782460 /nfs/dbraw/zinc/78/24/60/587782460.db2.gz SFGLFIXHFYTQPH-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO C[NH+](C)Cc1cccc(C(=O)OCCCC#N)c1 ZINC000835265030 587793442 /nfs/dbraw/zinc/79/34/42/587793442.db2.gz MLRWRUXJYQUUBB-UHFFFAOYSA-N 1 0 246.310 2.209 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000835396382 587799755 /nfs/dbraw/zinc/79/97/55/587799755.db2.gz MPEKKVCBWPJZTA-NEPJUHHUSA-N 1 0 237.343 2.369 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000835396384 587799794 /nfs/dbraw/zinc/79/97/94/587799794.db2.gz MPEKKVCBWPJZTA-NWDGAFQWSA-N 1 0 237.343 2.369 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000835396385 587799825 /nfs/dbraw/zinc/79/98/25/587799825.db2.gz MPEKKVCBWPJZTA-RYUDHWBXSA-N 1 0 237.343 2.369 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000836232232 587829157 /nfs/dbraw/zinc/82/91/57/587829157.db2.gz QDRIRCZAMLSLLW-JGVFFNPUSA-N 1 0 221.131 2.462 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCC)C(C)(C)C ZINC000836820323 587838721 /nfs/dbraw/zinc/83/87/21/587838721.db2.gz XEEBAEMXRCHODH-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)nn1C)C(C)C ZINC000841830624 587976385 /nfs/dbraw/zinc/97/63/85/587976385.db2.gz JXMQIFIJXGTRGT-UHFFFAOYSA-N 1 0 207.321 2.125 20 30 BEEDRO N#CC1(C[NH2+]C2CC(C(F)F)C2)CCC1 ZINC000841897630 587982751 /nfs/dbraw/zinc/98/27/51/587982751.db2.gz HCXKGJASCPUUTQ-UHFFFAOYSA-N 1 0 214.259 2.314 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000841902562 587983026 /nfs/dbraw/zinc/98/30/26/587983026.db2.gz DUZXLVWVNPOIPR-NEPJUHHUSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCN(C(=O)N[C@H](C)CCCC[NH3+])C(C)C ZINC000841997030 587988416 /nfs/dbraw/zinc/98/84/16/587988416.db2.gz VSAGXIBJFNQTHJ-GFCCVEGCSA-N 1 0 241.379 2.110 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000842173412 588005924 /nfs/dbraw/zinc/00/59/24/588005924.db2.gz PITROWAOQWRDQE-CQSZACIVSA-N 1 0 244.338 2.257 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000842173411 588006143 /nfs/dbraw/zinc/00/61/43/588006143.db2.gz PITROWAOQWRDQE-AWEZNQCLSA-N 1 0 244.338 2.257 20 30 BEEDRO CCCON=Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000842554832 588041815 /nfs/dbraw/zinc/04/18/15/588041815.db2.gz RHRKOTUJJJGHOG-UHFFFAOYSA-N 1 0 244.298 2.336 20 30 BEEDRO C#CCCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000842650198 588049064 /nfs/dbraw/zinc/04/90/64/588049064.db2.gz OFZMSYXTQMDWTF-UHFFFAOYSA-N 1 0 241.294 2.151 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccncc1 ZINC000842681923 588052269 /nfs/dbraw/zinc/05/22/69/588052269.db2.gz VBGQWTQJTZKQAH-YUTCNCBUSA-N 1 0 232.327 2.466 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccncc1 ZINC000842681918 588052501 /nfs/dbraw/zinc/05/25/01/588052501.db2.gz VBGQWTQJTZKQAH-BNOWGMLFSA-N 1 0 232.327 2.466 20 30 BEEDRO C=CCC(C)(C)c1noc(CCCC[NH3+])n1 ZINC000843235593 588094797 /nfs/dbraw/zinc/09/47/97/588094797.db2.gz SAXSSZXMSMRERF-UHFFFAOYSA-N 1 0 223.320 2.205 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000843422381 588108043 /nfs/dbraw/zinc/10/80/43/588108043.db2.gz DZWLCRHAIOZOBB-STQMWFEESA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000843428294 588108396 /nfs/dbraw/zinc/10/83/96/588108396.db2.gz GCCHGMULIJUASQ-UHFFFAOYSA-N 1 0 243.306 2.261 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000843429040 588108528 /nfs/dbraw/zinc/10/85/28/588108528.db2.gz SYVZBYRPGCMSGR-UHFFFAOYSA-N 1 0 215.296 2.237 20 30 BEEDRO C#CC1CC[NH+](Cc2c(C)nn(CC)c2C)CC1 ZINC000843427246 588108542 /nfs/dbraw/zinc/10/85/42/588108542.db2.gz WWXIUEKJRHLOSB-UHFFFAOYSA-N 1 0 245.370 2.365 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000843427251 588108611 /nfs/dbraw/zinc/10/86/11/588108611.db2.gz WZQZSFHNCHHJFE-UHFFFAOYSA-N 1 0 241.338 2.199 20 30 BEEDRO C=CCSCC[NH2+]Cc1c(C)noc1C ZINC000105462504 588173957 /nfs/dbraw/zinc/17/39/57/588173957.db2.gz FKAGDSLCAJWTJX-UHFFFAOYSA-N 1 0 226.345 2.300 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436563 588192940 /nfs/dbraw/zinc/19/29/40/588192940.db2.gz HGLIREZWXJKKMK-VXGBXAGGSA-N 1 0 245.313 2.435 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436422 588193313 /nfs/dbraw/zinc/19/33/13/588193313.db2.gz HQTUMOXIPUHPMP-JTQLQIEISA-N 1 0 214.259 2.411 20 30 BEEDRO C=C(C)CO[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000844617981 588208338 /nfs/dbraw/zinc/20/83/38/588208338.db2.gz GEXTWVWGXLJTCZ-UHFFFAOYSA-N 1 0 233.315 2.464 20 30 BEEDRO C=C[C@H](C)ON=C1CCC[C@H]([NH+](C)C)C1 ZINC000844624278 588210795 /nfs/dbraw/zinc/21/07/95/588210795.db2.gz HVDGXRRQCQXAMG-JQWIXIFHSA-N 1 0 210.321 2.438 20 30 BEEDRO C=CCCCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@H]1C ZINC000844642198 588211970 /nfs/dbraw/zinc/21/19/70/588211970.db2.gz HXRUUUZKJAQBTD-FRRDWIJNSA-N 1 0 238.375 2.282 20 30 BEEDRO C=CCCCC(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845666818 588240332 /nfs/dbraw/zinc/24/03/32/588240332.db2.gz ZQOZYHVOXWSGHJ-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845740575 588243556 /nfs/dbraw/zinc/24/35/56/588243556.db2.gz QDOVPGCJFVYPDQ-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845818663 588246247 /nfs/dbraw/zinc/24/62/47/588246247.db2.gz GJMQYIAGMGYBSI-UPJWGTAASA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000121588427 588246571 /nfs/dbraw/zinc/24/65/71/588246571.db2.gz BQWQAXSBOPUCLV-LBPRGKRZSA-N 1 0 225.719 2.491 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[S@](=O)CC)C1 ZINC000845935735 588250797 /nfs/dbraw/zinc/25/07/97/588250797.db2.gz ARRLVMDZGJONOO-TYNCELHUSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000845971209 588250953 /nfs/dbraw/zinc/25/09/53/588250953.db2.gz YSDOPZRKLQIJLW-WDEREUQCSA-N 1 0 221.304 2.212 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC[S@@](C)=O)C1 ZINC000845942285 588251019 /nfs/dbraw/zinc/25/10/19/588251019.db2.gz QMEXQXRBRROCHG-TYNCELHUSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2COC(C)(C)OC2)C1 ZINC000845954008 588251401 /nfs/dbraw/zinc/25/14/01/588251401.db2.gz KQLRBNWHFHTOCD-NWDGAFQWSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2(C)OCCO2)C1 ZINC000845954288 588251612 /nfs/dbraw/zinc/25/16/12/588251612.db2.gz NEICYMCRWQYAJB-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2cnccc2o1 ZINC000845965340 588251989 /nfs/dbraw/zinc/25/19/89/588251989.db2.gz YAPFZUJYDWGWMA-SNVBAGLBSA-N 1 0 214.268 2.281 20 30 BEEDRO C[C@@H]1C[C@H](NCC2(C#N)CCCC2)C[N@@H+]1C1CC1 ZINC000846011018 588253315 /nfs/dbraw/zinc/25/33/15/588253315.db2.gz QNGQGZAEJQPZDJ-OLZOCXBDSA-N 1 0 247.386 2.285 20 30 BEEDRO CC[N@@H+]1CC[C@@H](NCC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011774 588253453 /nfs/dbraw/zinc/25/34/53/588253453.db2.gz ZBMNSWXDQFJBBN-UONOGXRCSA-N 1 0 249.402 2.390 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000846109041 588257026 /nfs/dbraw/zinc/25/70/26/588257026.db2.gz CAADRDACMPEWGN-BETUJISGSA-N 1 0 233.261 2.365 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(Br)CC1 ZINC000846983503 588300269 /nfs/dbraw/zinc/30/02/69/588300269.db2.gz UCAGWLARRGOZSI-MRVPVSSYSA-N 1 0 231.137 2.196 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000846995740 588300877 /nfs/dbraw/zinc/30/08/77/588300877.db2.gz UIMDJVXGJNOZMW-UONOGXRCSA-N 1 0 232.327 2.310 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000847019024 588302100 /nfs/dbraw/zinc/30/21/00/588302100.db2.gz NOJDQBHTEILEDF-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000847019571 588302391 /nfs/dbraw/zinc/30/23/91/588302391.db2.gz RRDAVVGCPJWWCZ-GFCCVEGCSA-N 1 0 218.300 2.137 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000847023050 588303264 /nfs/dbraw/zinc/30/32/64/588303264.db2.gz KTBPZQAGLWIVLS-IUODEOHRSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000847025273 588303883 /nfs/dbraw/zinc/30/38/83/588303883.db2.gz NKDVONMMWPKSSJ-AWEZNQCLSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000847079590 588306012 /nfs/dbraw/zinc/30/60/12/588306012.db2.gz MHZXJFUJDPSNKC-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO CCCCNN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848403618 588378227 /nfs/dbraw/zinc/37/82/27/588378227.db2.gz WVPPYLYRXMGLDL-CYBMUJFWSA-N 1 0 223.364 2.380 20 30 BEEDRO Nc1c(F)cccc1C=[NH+]NC1CCCC1 ZINC000848405616 588378237 /nfs/dbraw/zinc/37/82/37/588378237.db2.gz RJYUPDQMFFPHKK-UHFFFAOYSA-N 1 0 221.279 2.274 20 30 BEEDRO C=CCON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848412184 588380330 /nfs/dbraw/zinc/38/03/30/588380330.db2.gz KSSOKZBYWAMFKN-LBPRGKRZSA-N 1 0 208.305 2.193 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2(SC)CC2)C1 ZINC000848924073 588419359 /nfs/dbraw/zinc/41/93/59/588419359.db2.gz MZXZPXKOEDQITR-LLVKDONJSA-N 1 0 209.358 2.227 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000848924306 588421587 /nfs/dbraw/zinc/42/15/87/588421587.db2.gz PPVPHNWVHKFHRF-NEPJUHHUSA-N 1 0 209.358 2.085 20 30 BEEDRO C[NH+]=C(NCCC(C)(C)C)NCc1ccco1 ZINC000848984595 588424793 /nfs/dbraw/zinc/42/47/93/588424793.db2.gz GEFQFEDWPZYHNL-UHFFFAOYSA-N 1 0 237.347 2.381 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(C)cc1C ZINC000848986132 588425540 /nfs/dbraw/zinc/42/55/40/588425540.db2.gz IPMDJYXAZHSZGV-UHFFFAOYSA-N 1 0 217.316 2.103 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cc2c(s1)CCCC2 ZINC000848994930 588428797 /nfs/dbraw/zinc/42/87/97/588428797.db2.gz PHYSNBXFSNUDAF-UHFFFAOYSA-N 1 0 249.383 2.427 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCCC[C@@H]1C)NC1CC1 ZINC000848997559 588429582 /nfs/dbraw/zinc/42/95/82/588429582.db2.gz PTBIMEFRDCNFJY-QWRGUYRKSA-N 1 0 223.364 2.140 20 30 BEEDRO CN1CC[NH+]=C1NCCCCCc1ccccc1 ZINC000849002063 588431091 /nfs/dbraw/zinc/43/10/91/588431091.db2.gz JJMBHGPFKSWGRB-UHFFFAOYSA-N 1 0 245.370 2.290 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](C)C#N)c1 ZINC000849003721 588431563 /nfs/dbraw/zinc/43/15/63/588431563.db2.gz BCJOBHXFVSSGDA-NSHDSACASA-N 1 0 230.315 2.399 20 30 BEEDRO CCNC(NC/C=C\c1ccccc1)=[NH+]CC ZINC000849008452 588434076 /nfs/dbraw/zinc/43/40/76/588434076.db2.gz GEGBUNKUAYLJFL-FLIBITNWSA-N 1 0 231.343 2.275 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])NCCc1ccccc1 ZINC000849008421 588434150 /nfs/dbraw/zinc/43/41/50/588434150.db2.gz GINNQAVCXZEEFL-UHFFFAOYSA-N 1 0 237.734 2.096 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCc2ccccc2C1 ZINC000849009190 588434322 /nfs/dbraw/zinc/43/43/22/588434322.db2.gz JDOQUTHGVIVPDY-LBPRGKRZSA-N 1 0 243.354 2.091 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000849010217 588434639 /nfs/dbraw/zinc/43/46/39/588434639.db2.gz JVTJWJPFNLFVPF-TZMCWYRMSA-N 1 0 229.327 2.017 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000849010385 588434753 /nfs/dbraw/zinc/43/47/53/588434753.db2.gz NKJRCZFUZCGVMF-UKRRQHHQSA-N 1 0 243.354 2.407 20 30 BEEDRO CCNC(NCCc1sccc1C)=[NH+]CC ZINC000849015978 588437161 /nfs/dbraw/zinc/43/71/61/588437161.db2.gz MIESYNSIPDQELG-UHFFFAOYSA-N 1 0 239.388 2.174 20 30 BEEDRO CS[C@@H](C[NH+]=C(N(C)C)N(C)C)C(C)(C)C ZINC000849018221 588437763 /nfs/dbraw/zinc/43/77/63/588437763.db2.gz XKZPPMSRNSDWCM-JTQLQIEISA-N 1 0 245.436 2.243 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(OCC=C)cc1 ZINC000849019762 588438669 /nfs/dbraw/zinc/43/86/69/588438669.db2.gz MAEKCTQTJJFNLZ-UHFFFAOYSA-N 1 0 245.326 2.051 20 30 BEEDRO C=CCCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849024308 588440023 /nfs/dbraw/zinc/44/00/23/588440023.db2.gz ULOIKUHRMPUWML-LLVKDONJSA-N 1 0 209.337 2.209 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NCC2(C#N)CC2)cc1 ZINC000849025674 588440184 /nfs/dbraw/zinc/44/01/84/588440184.db2.gz AVVMKRUOMMJPOV-UHFFFAOYSA-N 1 0 242.326 2.489 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025670 588440507 /nfs/dbraw/zinc/44/05/07/588440507.db2.gz ASRLHSZAXAJDFM-UHFFFAOYSA-N 1 0 236.363 2.375 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026741 588440994 /nfs/dbraw/zinc/44/09/94/588440994.db2.gz QGMOTQGRXFIGCD-VOMCLLRMSA-N 1 0 236.363 2.229 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026668 588441005 /nfs/dbraw/zinc/44/10/05/588441005.db2.gz NHVQJTOSCBUAFY-UHFFFAOYSA-N 1 0 236.363 2.183 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])NCC(=C)C ZINC000849031187 588442550 /nfs/dbraw/zinc/44/25/50/588442550.db2.gz ZAGOYYGIMBZFRO-UHFFFAOYSA-N 1 0 209.337 2.279 20 30 BEEDRO C[NH+]=C(NCCC(C)(C)C1CC1)NC1CC1 ZINC000849033233 588443976 /nfs/dbraw/zinc/44/39/76/588443976.db2.gz XFKCDEOOORQPGM-UHFFFAOYSA-N 1 0 223.364 2.140 20 30 BEEDRO C=C(C)CCNC(=[NH2+])N1CCCCCC1 ZINC000849036525 588445443 /nfs/dbraw/zinc/44/54/43/588445443.db2.gz SDUUEQPOGYTZLO-UHFFFAOYSA-N 1 0 209.337 2.353 20 30 BEEDRO C[NH+]=C(NCC(C)(C)C1CCC1)NC1CC1 ZINC000849036909 588445628 /nfs/dbraw/zinc/44/56/28/588445628.db2.gz DRGCUSTZHORTKZ-UHFFFAOYSA-N 1 0 223.364 2.140 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000849038157 588446329 /nfs/dbraw/zinc/44/63/29/588446329.db2.gz JEMAYPADUMPSAM-UHFFFAOYSA-N 1 0 229.327 2.080 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCC[C@H]1C1CC1)NC1CC1 ZINC000849040783 588447432 /nfs/dbraw/zinc/44/74/32/588447432.db2.gz DFPUCUQOXOGMPL-AAEUAGOBSA-N 1 0 235.375 2.140 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849045375 588449511 /nfs/dbraw/zinc/44/95/11/588449511.db2.gz XELKLZNAZRHGBN-LLVKDONJSA-N 1 0 244.342 2.165 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000849045541 588449546 /nfs/dbraw/zinc/44/95/46/588449546.db2.gz MCYKCCPKYMKSCM-UONOGXRCSA-N 1 0 243.354 2.178 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000849045165 588449588 /nfs/dbraw/zinc/44/95/88/588449588.db2.gz RWNCPSWHUFDKRF-TZMCWYRMSA-N 1 0 247.317 2.314 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC1CC2(CCC2)C1 ZINC000849048060 588451129 /nfs/dbraw/zinc/45/11/29/588451129.db2.gz CXTPOTLDXPXXHY-UHFFFAOYSA-N 1 0 207.321 2.009 20 30 BEEDRO C=CCCCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849049000 588451377 /nfs/dbraw/zinc/45/13/77/588451377.db2.gz LBIIPKRSLNSITJ-GFCCVEGCSA-N 1 0 239.363 2.026 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC1CC2(CCC2)C1 ZINC000849049544 588451430 /nfs/dbraw/zinc/45/14/30/588451430.db2.gz RYGGRUPKPJMMQC-UHFFFAOYSA-N 1 0 247.342 2.277 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CC[C@@H](C)C2)nn1 ZINC000850266836 588533807 /nfs/dbraw/zinc/53/38/07/588533807.db2.gz JUSBOCCDMOSSKN-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000850354575 588538849 /nfs/dbraw/zinc/53/88/49/588538849.db2.gz OOXAAGXRZYMMHF-UHFFFAOYSA-N 1 0 219.210 2.094 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000850377734 588542070 /nfs/dbraw/zinc/54/20/70/588542070.db2.gz KPBLEOQQVCHWEW-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCN(C)C(=O)OC)C1 ZINC000850389936 588543530 /nfs/dbraw/zinc/54/35/30/588543530.db2.gz MNYFBZVEEOFVNU-RYUDHWBXSA-N 1 0 240.347 2.019 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000850394019 588543818 /nfs/dbraw/zinc/54/38/18/588543818.db2.gz IVKNTHABDCMWAX-RYUDHWBXSA-N 1 0 217.316 2.311 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@@](=O)CC ZINC000850434737 588546136 /nfs/dbraw/zinc/54/61/36/588546136.db2.gz WZVKBOVCGBKVAN-WWGRRREGSA-N 1 0 243.416 2.480 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CSCCF ZINC000850437962 588546799 /nfs/dbraw/zinc/54/67/99/588546799.db2.gz BNGZJGNYPQSXRH-JTQLQIEISA-N 1 0 203.326 2.081 20 30 BEEDRO C=CCCCCCC[NH2+][C@@H](C)Cn1cncn1 ZINC000850469928 588549295 /nfs/dbraw/zinc/54/92/95/588549295.db2.gz VNTYUEYPTRYDOE-ZDUSSCGKSA-N 1 0 236.363 2.393 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000850470395 588549310 /nfs/dbraw/zinc/54/93/10/588549310.db2.gz AIQQTHUZNBYUPY-LLVKDONJSA-N 1 0 246.345 2.211 20 30 BEEDRO CC[C@H]([NH2+]CCN(C)OC)c1ccc(C#N)cc1 ZINC000850479302 588550546 /nfs/dbraw/zinc/55/05/46/588550546.db2.gz PRQGMBPONRYCJA-AWEZNQCLSA-N 1 0 247.342 2.092 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1ncc[nH]1 ZINC000850501892 588552513 /nfs/dbraw/zinc/55/25/13/588552513.db2.gz HABYVEPKJKPIRJ-SNVBAGLBSA-N 1 0 225.361 2.370 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850526464 588556883 /nfs/dbraw/zinc/55/68/83/588556883.db2.gz VDOVQTSAOWWWCY-JHJVBQTASA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000850531234 588557787 /nfs/dbraw/zinc/55/77/87/588557787.db2.gz IFWZIQLTGMWMIH-ZDUSSCGKSA-N 1 0 239.359 2.128 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC)c1 ZINC000850571859 588561113 /nfs/dbraw/zinc/56/11/13/588561113.db2.gz DBEGFDHXPQZKNH-WCQYABFASA-N 1 0 235.327 2.283 20 30 BEEDRO C=C(C)C[N@H+](CC)CC[C@@H]1COC(C)(C)O1 ZINC000851720798 588617243 /nfs/dbraw/zinc/61/72/43/588617243.db2.gz TZBJYEPUKDBXGF-GFCCVEGCSA-N 1 0 227.348 2.426 20 30 BEEDRO C=C(C)C[N@H+](CC)CC[C@H]1COC(C)(C)O1 ZINC000851720799 588617345 /nfs/dbraw/zinc/61/73/45/588617345.db2.gz TZBJYEPUKDBXGF-LBPRGKRZSA-N 1 0 227.348 2.426 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1COC(C)(C)O1)C(C)C ZINC000851730345 588619057 /nfs/dbraw/zinc/61/90/57/588619057.db2.gz CQIYYHNXNANMBY-GFCCVEGCSA-N 1 0 227.348 2.424 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CCC(C#N)CC2)cc1 ZINC000851739482 588621076 /nfs/dbraw/zinc/62/10/76/588621076.db2.gz BVKXZCFRZGJAKQ-UHFFFAOYSA-N 1 0 239.322 2.336 20 30 BEEDRO C#CCOCC[N@H+](C1CC1)C1CCCC1 ZINC000851763387 588624395 /nfs/dbraw/zinc/62/43/95/588624395.db2.gz RTKNSOVMFCDTGP-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CC1CC[NH+]([C@@H]2CC[C@H](OC)C2)CC1 ZINC000851768181 588624987 /nfs/dbraw/zinc/62/49/87/588624987.db2.gz GOZLHJAQCVZFFJ-OLZOCXBDSA-N 1 0 209.333 2.452 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@H](SCC)C1 ZINC000851768890 588625395 /nfs/dbraw/zinc/62/53/95/588625395.db2.gz OTEGORKLEMYRJT-ZDUSSCGKSA-N 1 0 241.400 2.244 20 30 BEEDRO C#CCOCC[NH+]1CCC2(CCCC2)CC1 ZINC000851777799 588627168 /nfs/dbraw/zinc/62/71/68/588627168.db2.gz CBPIAYYLOBMPGX-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)c1ccccn1 ZINC000851780711 588627332 /nfs/dbraw/zinc/62/73/32/588627332.db2.gz UMMQMADEIOURGX-CYBMUJFWSA-N 1 0 220.316 2.013 20 30 BEEDRO C#CCOCC[NH+]1C2CCCC1CCC2 ZINC000851783450 588627937 /nfs/dbraw/zinc/62/79/37/588627937.db2.gz CVOQXVDARFYROH-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCOCC[N@@H+](CC)[C@H](C)c1cccc(O)c1 ZINC000851801722 588630859 /nfs/dbraw/zinc/63/08/59/588630859.db2.gz RKMKHRLXKNVSCC-CYBMUJFWSA-N 1 0 247.338 2.425 20 30 BEEDRO C#CCN(Cc1cc(OC)no1)C1CCCC1 ZINC000851809652 588632369 /nfs/dbraw/zinc/63/23/69/588632369.db2.gz WVLRKRGXNAHGEL-UHFFFAOYSA-N 1 0 234.299 2.061 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000851813207 588632788 /nfs/dbraw/zinc/63/27/88/588632788.db2.gz QOAMGNZTHLCEHY-HNNXBMFYSA-N 1 0 244.338 2.177 20 30 BEEDRO C#CCOCC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000851840889 588634250 /nfs/dbraw/zinc/63/42/50/588634250.db2.gz KXBGMMSKLHVJKD-MRXNPFEDSA-N 1 0 243.350 2.478 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)CCSCC ZINC000851850191 588635086 /nfs/dbraw/zinc/63/50/86/588635086.db2.gz HQRUZMPDQHVZGS-LBPRGKRZSA-N 1 0 229.389 2.100 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2ccccc2C1(C)C ZINC000851892075 588641459 /nfs/dbraw/zinc/64/14/59/588641459.db2.gz INAOGQDBWWPRJL-UHFFFAOYSA-N 1 0 243.350 2.430 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000851907738 588642675 /nfs/dbraw/zinc/64/26/75/588642675.db2.gz WLOIMEKXUAYFOO-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000851918925 588643492 /nfs/dbraw/zinc/64/34/92/588643492.db2.gz GBNLVJSRXMFGDW-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC)c1nc(C)cs1 ZINC000851925335 588644726 /nfs/dbraw/zinc/64/47/26/588644726.db2.gz WKSXOJNSHQOVRK-NSHDSACASA-N 1 0 238.356 2.142 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000851935412 588645951 /nfs/dbraw/zinc/64/59/51/588645951.db2.gz UXLAKFGZLKFBBI-DZGCQCFKSA-N 1 0 244.338 2.114 20 30 BEEDRO C#CCOCC[N@H+]1CCc2c(C)cc(C)cc2C1 ZINC000851953317 588647555 /nfs/dbraw/zinc/64/75/55/588647555.db2.gz CSVBLECKZSGUPK-UHFFFAOYSA-N 1 0 243.350 2.311 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](C(C)C)C1 ZINC000851968547 588649152 /nfs/dbraw/zinc/64/91/52/588649152.db2.gz ZBYGSIORRIJUTH-ZDUSSCGKSA-N 1 0 209.333 2.004 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOCc1ccccc1 ZINC000851988874 588652800 /nfs/dbraw/zinc/65/28/00/588652800.db2.gz DAJUJMZRGZUAEE-CYBMUJFWSA-N 1 0 217.312 2.157 20 30 BEEDRO C#CCOCC[N@H+](CC1CCC1)C(C)C ZINC000851990714 588653029 /nfs/dbraw/zinc/65/30/29/588653029.db2.gz ZVSKZGZSAOJIOF-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000852005195 588654286 /nfs/dbraw/zinc/65/42/86/588654286.db2.gz YPDUIEIAFRZHQV-ZDUSSCGKSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000852005194 588654496 /nfs/dbraw/zinc/65/44/96/588654496.db2.gz YPDUIEIAFRZHQV-CYBMUJFWSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000852060723 588658468 /nfs/dbraw/zinc/65/84/68/588658468.db2.gz HOVYBNMWHQJIRW-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1ccccc1F ZINC000852078978 588660477 /nfs/dbraw/zinc/66/04/77/588660477.db2.gz XLDIPXSPVPNACW-UHFFFAOYSA-N 1 0 235.302 2.300 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000852098442 588662254 /nfs/dbraw/zinc/66/22/54/588662254.db2.gz NKNLQFGSLTVDAR-AWEZNQCLSA-N 1 0 227.311 2.454 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)Nc1ccccc1 ZINC000852099892 588662820 /nfs/dbraw/zinc/66/28/20/588662820.db2.gz RBLJFPJYMFLWDA-OAHLLOKOSA-N 1 0 244.338 2.407 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCSCCOC ZINC000852103410 588663302 /nfs/dbraw/zinc/66/33/02/588663302.db2.gz HEAGMJHXSPFWJR-GFCCVEGCSA-N 1 0 229.389 2.148 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000852103296 588663413 /nfs/dbraw/zinc/66/34/13/588663413.db2.gz CXXBYTMPVVAEST-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C)ccn1 ZINC000852103221 588663472 /nfs/dbraw/zinc/66/34/72/588663472.db2.gz AOEAUIITBJXXNS-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000852103620 588663650 /nfs/dbraw/zinc/66/36/50/588663650.db2.gz MVJJSICSPIUPIA-CABCVRRESA-N 1 0 249.329 2.121 20 30 BEEDRO C#CCCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000852115123 588664643 /nfs/dbraw/zinc/66/46/43/588664643.db2.gz BITSLQJVFMDZRC-UHFFFAOYSA-N 1 0 242.366 2.264 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC=C(Cl)Cl ZINC000852136214 588666206 /nfs/dbraw/zinc/66/62/06/588666206.db2.gz HSGVPIUMLCFGDP-SFYZADRCSA-N 1 0 222.115 2.239 20 30 BEEDRO C#CCOCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000852143582 588666672 /nfs/dbraw/zinc/66/66/72/588666672.db2.gz PGHMOZBKDIQBJG-AWEZNQCLSA-N 1 0 245.322 2.456 20 30 BEEDRO C=C(Cl)CN1CCC[N@@H+](CC)C[C@@H]1C ZINC000852165665 588669051 /nfs/dbraw/zinc/66/90/51/588669051.db2.gz HCTCTXBTKYXOKR-NSHDSACASA-N 1 0 216.756 2.155 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1occc1C ZINC000852175665 588669830 /nfs/dbraw/zinc/66/98/30/588669830.db2.gz JJYMMEFOSGJWOQ-UHFFFAOYSA-N 1 0 221.300 2.060 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852206756 588671777 /nfs/dbraw/zinc/67/17/77/588671777.db2.gz REXFHZNWTVSQGE-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000852208633 588672122 /nfs/dbraw/zinc/67/21/22/588672122.db2.gz VAJUQAVLKGYKMC-CQSZACIVSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCCCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295853 588677459 /nfs/dbraw/zinc/67/74/59/588677459.db2.gz KQXSIRIYPZHMKI-UHFFFAOYSA-N 1 0 234.343 2.213 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnon1 ZINC000852302384 588677470 /nfs/dbraw/zinc/67/74/70/588677470.db2.gz AHEIVIXGYPPSRA-PWSUYJOCSA-N 1 0 221.304 2.294 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)O1 ZINC000852302693 588677542 /nfs/dbraw/zinc/67/75/42/588677542.db2.gz FIMRRUQNBAURPA-FRRDWIJNSA-N 1 0 237.343 2.417 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCC(=O)O1 ZINC000852302692 588677614 /nfs/dbraw/zinc/67/76/14/588677614.db2.gz FIMRRUQNBAURPA-AGIUHOORSA-N 1 0 237.343 2.417 20 30 BEEDRO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852319276 588677864 /nfs/dbraw/zinc/67/78/64/588677864.db2.gz JGUMXNNAIHMVDU-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCN(Cc1oc(C)nc1C)[C@@H](C)COC ZINC000852356732 588679784 /nfs/dbraw/zinc/67/97/84/588679784.db2.gz MUDBMVJOHUYYTE-JTQLQIEISA-N 1 0 238.331 2.314 20 30 BEEDRO C=CC[N@H+](C/C=C/Cl)[C@H](C)COC ZINC000852357600 588680019 /nfs/dbraw/zinc/68/00/19/588680019.db2.gz DYMLTDKDRYDLKC-BRAIEQGRSA-N 1 0 203.713 2.262 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000852410243 588680570 /nfs/dbraw/zinc/68/05/70/588680570.db2.gz KIJSKTYWHHKFQS-STQMWFEESA-N 1 0 222.332 2.203 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCN2CCCC2)C1 ZINC000852410060 588680585 /nfs/dbraw/zinc/68/05/85/588680585.db2.gz GXPIMNKTUOODBQ-CQSZACIVSA-N 1 0 222.376 2.370 20 30 BEEDRO C#CCOCC[NH+]1CCC(C2CCC2)CC1 ZINC000852408321 588681060 /nfs/dbraw/zinc/68/10/60/588681060.db2.gz UKAXELGPAKVCDE-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412140 588681363 /nfs/dbraw/zinc/68/13/63/588681363.db2.gz ZACJVIUTCAREAR-QWHCGFSZSA-N 1 0 249.354 2.370 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCC2OCCCO2)C1 ZINC000852410982 588681381 /nfs/dbraw/zinc/68/13/81/588681381.db2.gz QUWVTNHHTSDZSW-CYBMUJFWSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000852410177 588681461 /nfs/dbraw/zinc/68/14/61/588681461.db2.gz JJGVBEZFVWDHGE-ZDUSSCGKSA-N 1 0 248.374 2.395 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000852554813 588689460 /nfs/dbraw/zinc/68/94/60/588689460.db2.gz CZCWLASQABOTDA-CABCVRRESA-N 1 0 244.338 2.115 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)c1ccccn1)C(C)(C)C ZINC000852554059 588689470 /nfs/dbraw/zinc/68/94/70/588689470.db2.gz BEOJZKYWXNFGFD-CYBMUJFWSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CC[N@@H+](CCC(OC)OC)C(C)(C)C ZINC000852554017 588689601 /nfs/dbraw/zinc/68/96/01/588689601.db2.gz AEAMPYLYTKGJOH-UHFFFAOYSA-N 1 0 215.337 2.282 20 30 BEEDRO C=CCN(CCS(=O)(=O)CCC)C(C)(C)C ZINC000852554510 588689833 /nfs/dbraw/zinc/68/98/33/588689833.db2.gz PELVYJRJLCCDOP-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000852634801 588693351 /nfs/dbraw/zinc/69/33/51/588693351.db2.gz IZPQGVPFXYRWIO-ZIAGYGMSSA-N 1 0 242.322 2.431 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CCCCCCCO)C1 ZINC000852684517 588695535 /nfs/dbraw/zinc/69/55/35/588695535.db2.gz IKGIKTBJOFLFEW-CYBMUJFWSA-N 1 0 224.348 2.165 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CC2(CC2)C(=O)O1 ZINC000852688434 588696177 /nfs/dbraw/zinc/69/61/77/588696177.db2.gz UDOVTBBYFYYDFA-FRRDWIJNSA-N 1 0 247.338 2.265 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@H]1CCC(F)(F)C1 ZINC000852748506 588699658 /nfs/dbraw/zinc/69/96/58/588699658.db2.gz BPAIBPUXPBIPSE-LBPRGKRZSA-N 1 0 245.313 2.394 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CCC(F)(F)C1 ZINC000852748505 588699663 /nfs/dbraw/zinc/69/96/63/588699663.db2.gz BPAIBPUXPBIPSE-GFCCVEGCSA-N 1 0 245.313 2.394 20 30 BEEDRO C#CCC[N@@H+](CCOC)CCC1CCC1 ZINC000852750032 588700024 /nfs/dbraw/zinc/70/00/24/588700024.db2.gz LUKRMGQYJYRMDE-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1CC1(C)C ZINC000852774640 588701853 /nfs/dbraw/zinc/70/18/53/588701853.db2.gz YHEDPAOXIORPPH-NWDGAFQWSA-N 1 0 219.332 2.408 20 30 BEEDRO CCCCCCCC[C@H](C)C(=O)NCC[NH3+] ZINC000852791120 588702878 /nfs/dbraw/zinc/70/28/78/588702878.db2.gz XTEAXZHLVIQKKF-LBPRGKRZSA-N 1 0 228.380 2.448 20 30 BEEDRO C=CC[C@@]1(C(=O)NCCCCCC)CCC[NH2+]1 ZINC000852800868 588704307 /nfs/dbraw/zinc/70/43/07/588704307.db2.gz UCZAZMFKTOKGAR-AWEZNQCLSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCCCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852896823 588712127 /nfs/dbraw/zinc/71/21/27/588712127.db2.gz JHQVOFVLBIPMHO-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)C12CC(C1)C2 ZINC000860611357 589109692 /nfs/dbraw/zinc/10/96/92/589109692.db2.gz OCWSXACXKNNWKN-DNOWBOINSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCC(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861359082 589161438 /nfs/dbraw/zinc/16/14/38/589161438.db2.gz URGBWWBPABKPLE-UHFFFAOYSA-N 1 0 237.343 2.372 20 30 BEEDRO CCCCCCCCNC(=O)N(CC)CC[NH3+] ZINC000861615812 589170373 /nfs/dbraw/zinc/17/03/73/589170373.db2.gz XMISEVVUMMDJPI-UHFFFAOYSA-N 1 0 243.395 2.337 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861655042 589173308 /nfs/dbraw/zinc/17/33/08/589173308.db2.gz BJZNOSUZEYVPHH-NWDGAFQWSA-N 1 0 241.379 2.006 20 30 BEEDRO CCCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC000862358551 589203100 /nfs/dbraw/zinc/20/31/00/589203100.db2.gz MSQYUBQWJTXZBW-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO CCCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC000862358530 589203218 /nfs/dbraw/zinc/20/32/18/589203218.db2.gz MDNSVYVOYLOSKU-UHFFFAOYSA-N 1 0 240.391 2.415 20 30 BEEDRO CCCCCCCNC(=O)C[N@H+](C)C(C)C ZINC000862359950 589203430 /nfs/dbraw/zinc/20/34/30/589203430.db2.gz UAJXGVZTSUQPLQ-UHFFFAOYSA-N 1 0 228.380 2.413 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862362523 589203950 /nfs/dbraw/zinc/20/39/50/589203950.db2.gz AOERZVUYEAIKMF-PSASIEDQSA-N 1 0 201.260 2.422 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000862399995 589209197 /nfs/dbraw/zinc/20/91/97/589209197.db2.gz JWTWSRDXWMMWMF-CYBMUJFWSA-N 1 0 231.343 2.262 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862442818 589213213 /nfs/dbraw/zinc/21/32/13/589213213.db2.gz ILCFPVVUXCVDOA-GFCCVEGCSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000862442954 589213333 /nfs/dbraw/zinc/21/33/33/589213333.db2.gz JDKSGYSFDFLMRM-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000862444602 589214143 /nfs/dbraw/zinc/21/41/43/589214143.db2.gz DABZOKMYCVDPCV-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000862444627 589214185 /nfs/dbraw/zinc/21/41/85/589214185.db2.gz DQQRAHRGMMGCFN-CQSZACIVSA-N 1 0 245.370 2.365 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2occc2C)C1 ZINC000862444588 589214193 /nfs/dbraw/zinc/21/41/93/589214193.db2.gz CSBHXBSXRCMFJQ-GFCCVEGCSA-N 1 0 203.285 2.433 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000862444820 589214491 /nfs/dbraw/zinc/21/44/91/589214491.db2.gz HISVWXKVENMYGU-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000862445634 589214882 /nfs/dbraw/zinc/21/48/82/589214882.db2.gz YOAKLLDTDDCLRC-QWHCGFSZSA-N 1 0 205.301 2.024 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000862448100 589215463 /nfs/dbraw/zinc/21/54/63/589215463.db2.gz WWIBKMQFWHTMKA-CYBMUJFWSA-N 1 0 240.350 2.416 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC[C@@H]1C ZINC000862547364 589219547 /nfs/dbraw/zinc/21/95/47/589219547.db2.gz CWXGELVCMMTECX-XQQFMLRXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccc(C)c1O ZINC000862547653 589219950 /nfs/dbraw/zinc/21/99/50/589219950.db2.gz LLFGTMXVAGVOQH-CQSZACIVSA-N 1 0 247.338 2.219 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC[C@H]1C ZINC000862547363 589219986 /nfs/dbraw/zinc/21/99/86/589219986.db2.gz CWXGELVCMMTECX-UPJWGTAASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CCCCC1 ZINC000862547788 589220058 /nfs/dbraw/zinc/22/00/58/589220058.db2.gz PDWYKOQVZSALRS-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1Cc2ccccc2C1 ZINC000862547540 589220171 /nfs/dbraw/zinc/22/01/71/589220171.db2.gz IXGYLTDPUGGTDO-HNNXBMFYSA-N 1 0 243.350 2.172 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000862547699 589220203 /nfs/dbraw/zinc/22/02/03/589220203.db2.gz MLFPKGSVKDOPJB-MCIONIFRSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](CC)CCC=C ZINC000862549133 589220299 /nfs/dbraw/zinc/22/02/99/589220299.db2.gz VSPZLDFCKMJGHT-STQMWFEESA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000862549265 589220321 /nfs/dbraw/zinc/22/03/21/589220321.db2.gz YKNLTQLQWMGXIC-MCIONIFRSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)[C@@H](C)CC=C ZINC000862549090 589220550 /nfs/dbraw/zinc/22/05/50/589220550.db2.gz VDBFZPMWJWGDSV-RWMBFGLXSA-N 1 0 209.333 2.215 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000862550503 589220742 /nfs/dbraw/zinc/22/07/42/589220742.db2.gz MOGKJSRUFXKHHH-HZSPNIEDSA-N 1 0 221.344 2.193 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1cccc(C(C)C)c1 ZINC000863078971 589254657 /nfs/dbraw/zinc/25/46/57/589254657.db2.gz COGOAPDIIGIIJN-UHFFFAOYSA-N 1 0 218.304 2.017 20 30 BEEDRO CC[C@@H](C)c1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000863079236 589254799 /nfs/dbraw/zinc/25/47/99/589254799.db2.gz IGDWTSPEEIYCRH-SECBINFHSA-N 1 0 232.331 2.407 20 30 BEEDRO CCC(=[NH+]OC[C@H]1CCOC1)c1ccc(N)cc1 ZINC000863107192 589257232 /nfs/dbraw/zinc/25/72/32/589257232.db2.gz HGBNDGRHCQOUEL-NSHDSACASA-N 1 0 248.326 2.436 20 30 BEEDRO C=C[C@H](C)ON=C1CC[N@H+](C)C(C)(C)C1 ZINC000863122969 589260550 /nfs/dbraw/zinc/26/05/50/589260550.db2.gz AXRVLVUKFRBLGF-JTQLQIEISA-N 1 0 210.321 2.438 20 30 BEEDRO Cc1cc(C=NNc2cc[nH+]cc2C)c(C)n1C ZINC000863157863 589263845 /nfs/dbraw/zinc/26/38/45/589263845.db2.gz IYZYULOHMAMGGC-UHFFFAOYSA-N 1 0 242.326 2.213 20 30 BEEDRO CC(=NNc1cc[nH+]c(C)c1)c1cnc(C)s1 ZINC000863159147 589264103 /nfs/dbraw/zinc/26/41/03/589264103.db2.gz FPXUSPFPDQMXJP-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO Cc1nc(C)c(C=NNc2cc[nH+]c(C)c2)s1 ZINC000863159724 589264514 /nfs/dbraw/zinc/26/45/14/589264514.db2.gz ZFSJNRNRYMBYRN-UHFFFAOYSA-N 1 0 246.339 2.331 20 30 BEEDRO c1cnn([NH+]=C2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000863163813 589266307 /nfs/dbraw/zinc/26/63/07/589266307.db2.gz PTVQCZGVVRDTPD-NWDGAFQWSA-N 1 0 233.315 2.314 20 30 BEEDRO CCOC(=O)[C@@H]1CCC(=[NH+]n2cccn2)[C@@H](C)C1 ZINC000863164618 589266622 /nfs/dbraw/zinc/26/66/22/589266622.db2.gz PXFUJKLZTDCOQU-WDEREUQCSA-N 1 0 249.314 2.087 20 30 BEEDRO CCOC(=O)[C@H]1CCC(=[NH+]n2cccn2)[C@@H](C)C1 ZINC000863164617 589266739 /nfs/dbraw/zinc/26/67/39/589266739.db2.gz PXFUJKLZTDCOQU-QWRGUYRKSA-N 1 0 249.314 2.087 20 30 BEEDRO CCC(C#N)(CC)c1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000863654872 589308253 /nfs/dbraw/zinc/30/82/53/589308253.db2.gz RFUNSSMMTHONKI-SNVBAGLBSA-N 1 0 248.330 2.118 20 30 BEEDRO C=CCOc1cccc(CN(C)C[C@H](C)[NH3+])c1 ZINC000863654276 589308393 /nfs/dbraw/zinc/30/83/93/589308393.db2.gz VRLOXDYNJNTXKM-LBPRGKRZSA-N 1 0 234.343 2.030 20 30 BEEDRO C#CCCCCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864460708 589368787 /nfs/dbraw/zinc/36/87/87/589368787.db2.gz ZKZCLVVZCDCFGY-LBPRGKRZSA-N 1 0 221.348 2.046 20 30 BEEDRO C=C(C)CCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864465678 589371096 /nfs/dbraw/zinc/37/10/96/589371096.db2.gz BMBLNNQNQCPPPF-LLVKDONJSA-N 1 0 209.337 2.209 20 30 BEEDRO C=C(C)CCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864467341 589371816 /nfs/dbraw/zinc/37/18/16/589371816.db2.gz WPASXSPGXRMKEF-UHFFFAOYSA-N 1 0 247.342 2.124 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])NCCC2CC2)c1 ZINC000864466985 589371850 /nfs/dbraw/zinc/37/18/50/589371850.db2.gz RTFUBOLRCMVSOR-UHFFFAOYSA-N 1 0 241.338 2.082 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864467767 589371948 /nfs/dbraw/zinc/37/19/48/589371948.db2.gz YRYMRNFUESTUJS-UWVGGRQHSA-N 1 0 209.337 2.111 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC(CC)CC)C(C)(C)C ZINC000864468828 589372428 /nfs/dbraw/zinc/37/24/28/589372428.db2.gz NOTFWLHMQKXKRF-NSHDSACASA-N 1 0 223.364 2.337 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH+]1CCCC1 ZINC000865405856 589433573 /nfs/dbraw/zinc/43/35/73/589433573.db2.gz ADRFDASZPMZLLS-UHFFFAOYSA-N 1 0 229.327 2.220 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC000865478214 589439764 /nfs/dbraw/zinc/43/97/64/589439764.db2.gz WNMGSVZVIXBOOD-UHFFFAOYSA-N 1 0 234.318 2.395 20 30 BEEDRO C#CCCCC[NH2+]Cc1cncc(OC)c1C ZINC000865491484 589440936 /nfs/dbraw/zinc/44/09/36/589440936.db2.gz ORUYNJKWSCFMLN-UHFFFAOYSA-N 1 0 232.327 2.292 20 30 BEEDRO C#CCCCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000865490870 589441048 /nfs/dbraw/zinc/44/10/48/589441048.db2.gz IOTBCILDFPMQOS-UHFFFAOYSA-N 1 0 245.370 2.192 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865490773 589441083 /nfs/dbraw/zinc/44/10/83/589441083.db2.gz FVSHUUXEUBRCCW-UHFFFAOYSA-N 1 0 217.316 2.111 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865579799 589448439 /nfs/dbraw/zinc/44/84/39/589448439.db2.gz FYZKUMZKJCRZET-LLVKDONJSA-N 1 0 249.333 2.462 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865593750 589449886 /nfs/dbraw/zinc/44/98/86/589449886.db2.gz PPCLBCURMYTRAP-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865859246 589465734 /nfs/dbraw/zinc/46/57/34/589465734.db2.gz SABTYZOJQZCSNK-CABCVRRESA-N 1 0 242.322 2.359 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866273986 589483791 /nfs/dbraw/zinc/48/37/91/589483791.db2.gz FQINWODTRWOXAA-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866337747 589486925 /nfs/dbraw/zinc/48/69/25/589486925.db2.gz MAGUEBHIRCVCFM-ZFWWWQNUSA-N 1 0 233.355 2.453 20 30 BEEDRO C[C@H](CCc1cccnc1)[NH2+]CCCC#N ZINC000866337814 589487017 /nfs/dbraw/zinc/48/70/17/589487017.db2.gz ZHDORAYCKUETOH-GFCCVEGCSA-N 1 0 217.316 2.296 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CCc1cccnc1 ZINC000866368324 589488553 /nfs/dbraw/zinc/48/85/53/589488553.db2.gz ABAAFLRXGHQYMI-UKRRQHHQSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866386805 589489380 /nfs/dbraw/zinc/48/93/80/589489380.db2.gz LNTSRAPXXOMBLL-CHWSQXEVSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866392171 589489882 /nfs/dbraw/zinc/48/98/82/589489882.db2.gz YWTFAECZLWEJPR-GXTWGEPZSA-N 1 0 219.328 2.063 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)C1 ZINC000866444693 589492728 /nfs/dbraw/zinc/49/27/28/589492728.db2.gz JZCWWUDNFBIOJE-QLMDPUNJSA-N 1 0 246.354 2.082 20 30 BEEDRO CC[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866614530 589504925 /nfs/dbraw/zinc/50/49/25/589504925.db2.gz KEVLFZOJKYOXDZ-YGRLFVJLSA-N 1 0 214.312 2.414 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000866634771 589506051 /nfs/dbraw/zinc/50/60/51/589506051.db2.gz UKZRBRPKANCFOU-WUHRBBMRSA-N 1 0 224.348 2.208 20 30 BEEDRO CCCCCCCN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000122158999 589557794 /nfs/dbraw/zinc/55/77/94/589557794.db2.gz ZAOXYIRJULEMKM-OLZOCXBDSA-N 1 0 228.380 2.005 20 30 BEEDRO C=CCCC(=O)OCc1cc(OC)cc(C)n1 ZINC000122838380 589636443 /nfs/dbraw/zinc/63/64/43/589636443.db2.gz MFQJHQORRIRPIJ-UHFFFAOYSA-N 1 0 235.283 2.408 20 30 BEEDRO C=CCCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990241 589708230 /nfs/dbraw/zinc/70/82/30/589708230.db2.gz CLMKJUYCJSMTBX-CQSZACIVSA-N 1 0 238.375 2.176 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1csc(C)c1 ZINC000871117757 589730215 /nfs/dbraw/zinc/73/02/15/589730215.db2.gz YYEXRXXPCHWZQH-UHFFFAOYSA-N 1 0 224.329 2.113 20 30 BEEDRO C=CCCC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871358371 589756832 /nfs/dbraw/zinc/75/68/32/589756832.db2.gz SEEHECMQPIFOAJ-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CC[C@@H]1CCSC1 ZINC000871891157 589830754 /nfs/dbraw/zinc/83/07/54/589830754.db2.gz LRVKOBCFHLBZJV-NEPJUHHUSA-N 1 0 237.372 2.163 20 30 BEEDRO C#CCc1c(C)nn(C2CC[NH+](CC)CC2)c1C ZINC000871949873 589839628 /nfs/dbraw/zinc/83/96/28/589839628.db2.gz PCKBCHKQRNJIDV-UHFFFAOYSA-N 1 0 245.370 2.332 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872061498 589862439 /nfs/dbraw/zinc/86/24/39/589862439.db2.gz FGLMPLUJGGNHFH-UWVGGRQHSA-N 1 0 239.290 2.119 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872076589 589865427 /nfs/dbraw/zinc/86/54/27/589865427.db2.gz NPMCVQIQUXNIMX-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872078035 589865547 /nfs/dbraw/zinc/86/55/47/589865547.db2.gz ODBQNGHSGJQPEU-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000872100158 589869975 /nfs/dbraw/zinc/86/99/75/589869975.db2.gz HQATXVFVRAWQOF-LBPRGKRZSA-N 1 0 236.363 2.249 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000872126053 589876132 /nfs/dbraw/zinc/87/61/32/589876132.db2.gz JMPPLRVAUNDHGI-DRZSPHRISA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)C1CC1 ZINC000872126055 589876384 /nfs/dbraw/zinc/87/63/84/589876384.db2.gz JMPPLRVAUNDHGI-RAIGVLPGSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127247 589876798 /nfs/dbraw/zinc/87/67/98/589876798.db2.gz RMRVZUFLKWTQRC-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C)C2)CC1 ZINC000872139437 589880492 /nfs/dbraw/zinc/88/04/92/589880492.db2.gz FHNXTORRLMOHNO-AAVRWANBSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000872140251 589880930 /nfs/dbraw/zinc/88/09/30/589880930.db2.gz HIEZBQSRWKWRJU-KQTLUZQSSA-N 1 0 246.398 2.251 20 30 BEEDRO C=CCCc1noc(-c2oc(C[NH3+])cc2C)n1 ZINC000872182426 589888560 /nfs/dbraw/zinc/88/85/60/589888560.db2.gz LKUQXNVACRTZRO-UHFFFAOYSA-N 1 0 233.271 2.215 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@H](O)C1CC1 ZINC000872219203 589895974 /nfs/dbraw/zinc/89/59/74/589895974.db2.gz BTLARAHYNDBISY-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000872243401 589899456 /nfs/dbraw/zinc/89/94/56/589899456.db2.gz NWDZTYLCEMXZAG-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CCC[C@H]2C=CCC2)CC1 ZINC000872245591 589900145 /nfs/dbraw/zinc/90/01/45/589900145.db2.gz DHBWMJBRZLMXKK-KBPBESRZSA-N 1 0 248.370 2.377 20 30 BEEDRO CC[C@H]([NH2+]CCC#N)[C@@H](O)c1ccccc1 ZINC000872252927 589900590 /nfs/dbraw/zinc/90/05/90/589900590.db2.gz WSPNNOGWVHALFS-STQMWFEESA-N 1 0 218.300 2.002 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872277882 589905290 /nfs/dbraw/zinc/90/52/90/589905290.db2.gz AGXMBBWYZXUXDR-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO CC(Cc1cccc(C)c1)=[NH+]n1cnnc1 ZINC000872324266 589912517 /nfs/dbraw/zinc/91/25/17/589912517.db2.gz NZAVGHCKHPYZBS-UHFFFAOYSA-N 1 0 214.272 2.053 20 30 BEEDRO C[C@@H]1C(N=Nc2ccccc2F)CC[N@@H+]1C ZINC000872340919 589914353 /nfs/dbraw/zinc/91/43/53/589914353.db2.gz UUCVDXCZAAIYCJ-SECBINFHSA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@H]1C(=NOCc2ccccc2)CC[N@H+]1C ZINC000872340628 589914644 /nfs/dbraw/zinc/91/46/44/589914644.db2.gz IPZLXKGZJFQVBL-NSHDSACASA-N 1 0 218.300 2.283 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(C2CCC2)cc1 ZINC000872341608 589915092 /nfs/dbraw/zinc/91/50/92/589915092.db2.gz VLTIFGDFDJIVJX-UHFFFAOYSA-N 1 0 230.315 2.161 20 30 BEEDRO COc1ccccc1CON=C1CC[N@H+](C)[C@@H]1C ZINC000872371428 589923209 /nfs/dbraw/zinc/92/32/09/589923209.db2.gz KDMBOJSDQQPPFM-LLVKDONJSA-N 1 0 248.326 2.292 20 30 BEEDRO CNc1ccccc1C=[NH+]OCCSC ZINC000872371161 589923409 /nfs/dbraw/zinc/92/34/09/589923409.db2.gz HUKVHTADQXHFAW-UHFFFAOYSA-N 1 0 224.329 2.442 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000872390278 589931015 /nfs/dbraw/zinc/93/10/15/589931015.db2.gz JRPCDGULMVZSSH-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccncc2)CC1 ZINC000873198486 589991911 /nfs/dbraw/zinc/99/19/11/589991911.db2.gz MODDFDQFTAJTEL-MQMHXKEQSA-N 1 0 214.312 2.363 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000873197756 589992092 /nfs/dbraw/zinc/99/20/92/589992092.db2.gz AQUSMAXNDUYDFN-MQMHXKEQSA-N 1 0 243.354 2.111 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc3n2CCC3)CC1 ZINC000873198131 589992377 /nfs/dbraw/zinc/99/23/77/589992377.db2.gz RVPVLGATTGSVLG-JOCQHMNTSA-N 1 0 243.354 2.111 20 30 BEEDRO CC1(C)CC[C@H](CN[C@H]2CCC[C@H](C#N)C2)[NH2+]C1 ZINC000873237581 590004087 /nfs/dbraw/zinc/00/40/87/590004087.db2.gz RCWDCVMFZAXEGB-MELADBBJSA-N 1 0 249.402 2.437 20 30 BEEDRO [NH2+]=C(NCc1ccccc1)N1CCCCCC1 ZINC000125853708 590193780 /nfs/dbraw/zinc/19/37/80/590193780.db2.gz ZCFMLGANJCFIGC-UHFFFAOYSA-N 1 0 231.343 2.377 20 30 BEEDRO CC(C)(C)C#CC(=O)Nc1cccc(C[NH3+])c1 ZINC000876503522 590203752 /nfs/dbraw/zinc/20/37/52/590203752.db2.gz MCMPYBXDBYYPKP-UHFFFAOYSA-N 1 0 230.311 2.133 20 30 BEEDRO CC[NH2+]Cc1ccccc1NC(=O)C#CC1CC1 ZINC000876509879 590205451 /nfs/dbraw/zinc/20/54/51/590205451.db2.gz NVIQRXIHDSTPBZ-UHFFFAOYSA-N 1 0 242.322 2.148 20 30 BEEDRO C#CCCCCCC[NH+]1CCN(CC)CC1 ZINC000876524745 590208447 /nfs/dbraw/zinc/20/84/47/590208447.db2.gz XWTPACOARBJJEX-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO C#CCCCCCC[N@H+]1CCCC[C@@H]1CO ZINC000876526471 590208470 /nfs/dbraw/zinc/20/84/70/590208470.db2.gz VAFWPQDSGHYAQL-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)CCC[C@H]1C ZINC000876545118 590213041 /nfs/dbraw/zinc/21/30/41/590213041.db2.gz ALFDDVVXWGMEQV-MXWKQRLJSA-N 1 0 244.766 2.246 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000876545117 590213231 /nfs/dbraw/zinc/21/32/31/590213231.db2.gz ALFDDVVXWGMEQV-DCAQKATOSA-N 1 0 244.766 2.246 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000876546808 590213979 /nfs/dbraw/zinc/21/39/79/590213979.db2.gz WWQIYLVDQMGAPW-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)CC1CC1 ZINC000876550154 590214583 /nfs/dbraw/zinc/21/45/83/590214583.db2.gz QYAAETRKIRWFQL-LLVKDONJSA-N 1 0 244.766 2.105 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCO[C@@H](C)C1 ZINC000876555688 590215058 /nfs/dbraw/zinc/21/50/58/590215058.db2.gz CZHZENZCJIGCSA-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000876587160 590218522 /nfs/dbraw/zinc/21/85/22/590218522.db2.gz OTROTKZLIWUPAX-GDPRMGEGSA-N 1 0 244.766 2.151 20 30 BEEDRO C=CC[N@H+](Cc1cc2c(cn1)OCCO2)C(C)C ZINC000876596272 590219797 /nfs/dbraw/zinc/21/97/97/590219797.db2.gz HBDIBPUHAALWJD-UHFFFAOYSA-N 1 0 248.326 2.249 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000876594873 590220054 /nfs/dbraw/zinc/22/00/54/590220054.db2.gz SNRQQWJYISGFEN-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC000876667255 590227832 /nfs/dbraw/zinc/22/78/32/590227832.db2.gz CDSCOWFCVYKEPI-SCZZXKLOSA-N 1 0 246.782 2.255 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC000876667257 590227946 /nfs/dbraw/zinc/22/79/46/590227946.db2.gz CDSCOWFCVYKEPI-WPRPVWTQSA-N 1 0 246.782 2.255 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C(C)C)C1CCC1 ZINC000876675912 590229007 /nfs/dbraw/zinc/22/90/07/590229007.db2.gz IKJIQTMXOOCSRN-LLVKDONJSA-N 1 0 244.766 2.246 20 30 BEEDRO C#CC[N@H+](CCC[C@@H]1CCO1)C1CCCC1 ZINC000876784301 590240179 /nfs/dbraw/zinc/24/01/79/590240179.db2.gz ARKAZXSLKLYYDD-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@](C)(O)C1 ZINC000876790676 590241243 /nfs/dbraw/zinc/24/12/43/590241243.db2.gz BFXSPEZSHMAMIV-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO CC(C)(C)C#CC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876866911 590251486 /nfs/dbraw/zinc/25/14/86/590251486.db2.gz NBPHGGYFSJRPDT-UHFFFAOYSA-N 1 0 242.322 2.278 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CCCO1 ZINC000876890284 590254042 /nfs/dbraw/zinc/25/40/42/590254042.db2.gz ZXWNXDLVHOCBJE-CYBMUJFWSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCCC[NH2+]C1CCN(C)CC1 ZINC000876899249 590255482 /nfs/dbraw/zinc/25/54/82/590255482.db2.gz VDFULVVRUFBDGJ-UHFFFAOYSA-N 1 0 222.376 2.254 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876930856 590258096 /nfs/dbraw/zinc/25/80/96/590258096.db2.gz FAMJRGMMWQJIDA-SCZZXKLOSA-N 1 0 235.718 2.352 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1cnn(C)c1 ZINC000876953917 590260765 /nfs/dbraw/zinc/26/07/65/590260765.db2.gz FJXBGBVMNKWRON-UHFFFAOYSA-N 1 0 233.359 2.136 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)CC ZINC000876961289 590261284 /nfs/dbraw/zinc/26/12/84/590261284.db2.gz CZPYVVDRQGCRNV-ZJUUUORDSA-N 1 0 246.782 2.397 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C=C1CC[NH2+]CC1 ZINC000876990408 590266463 /nfs/dbraw/zinc/26/64/63/590266463.db2.gz AZSFFPIVBUIZOO-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCCOC1 ZINC000877007940 590268938 /nfs/dbraw/zinc/26/89/38/590268938.db2.gz IAUJVIRWDLCONL-ZDUSSCGKSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000877020493 590269898 /nfs/dbraw/zinc/26/98/98/590269898.db2.gz VPMROBNGFYPFFC-CQSZACIVSA-N 1 0 234.387 2.396 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCN(C2CC2)C1 ZINC000877020492 590270155 /nfs/dbraw/zinc/27/01/55/590270155.db2.gz VPMROBNGFYPFFC-AWEZNQCLSA-N 1 0 234.387 2.396 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)[C@@H](CO)SC ZINC000877048392 590271209 /nfs/dbraw/zinc/27/12/09/590271209.db2.gz JSCNORVOGCDAKJ-QWHCGFSZSA-N 1 0 243.416 2.272 20 30 BEEDRO C#CCCCCCC[NH2+]C(C)(C)CCO ZINC000877041082 590272344 /nfs/dbraw/zinc/27/23/44/590272344.db2.gz CDUVBNBLSOBWIO-UHFFFAOYSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCSCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877048435 590274448 /nfs/dbraw/zinc/27/44/48/590274448.db2.gz KZCBHJULLQABAQ-MRVPVSSYSA-N 1 0 238.183 2.136 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)[C@H](C)CO ZINC000877058098 590275677 /nfs/dbraw/zinc/27/56/77/590275677.db2.gz UYKLEUBCUAYOCK-CHWSQXEVSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CCO)C1CC1 ZINC000877058621 590276071 /nfs/dbraw/zinc/27/60/71/590276071.db2.gz JYJBNHUKVJXWJM-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CSCCS1 ZINC000877084022 590280272 /nfs/dbraw/zinc/28/02/72/590280272.db2.gz DDKRGNLWAKVSFN-WDEREUQCSA-N 1 0 244.429 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CSCCS1 ZINC000877084016 590280571 /nfs/dbraw/zinc/28/05/71/590280571.db2.gz DDKRGNLWAKVSFN-QWRGUYRKSA-N 1 0 244.429 2.364 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)CC[S@@](C)=O ZINC000877088138 590281012 /nfs/dbraw/zinc/28/10/12/590281012.db2.gz BLRVUQBYCIJAGM-XJKSGUPXSA-N 1 0 243.416 2.317 20 30 BEEDRO C=C[C@@H](CC(=O)N(C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000877106779 590285442 /nfs/dbraw/zinc/28/54/42/590285442.db2.gz ZXYZAZRHDPSKNX-OLZOCXBDSA-N 1 0 246.354 2.152 20 30 BEEDRO C#CCCCCCC[NH2+][C@@](C)(CC)CO ZINC000877143124 590291516 /nfs/dbraw/zinc/29/15/16/590291516.db2.gz FDEFTVTYFITMLV-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCCCCCC[NH2+]C1(CO)CCCC1 ZINC000877158349 590294173 /nfs/dbraw/zinc/29/41/73/590294173.db2.gz HRGCQECCAHRNJS-UHFFFAOYSA-N 1 0 223.360 2.465 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000877183903 590298137 /nfs/dbraw/zinc/29/81/37/590298137.db2.gz JHFPGTMFMSFBIZ-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC(CC=C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877190277 590298991 /nfs/dbraw/zinc/29/89/91/590298991.db2.gz ZARDFYOYRYGVGH-UHFFFAOYSA-N 1 0 248.370 2.237 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000877326627 590306873 /nfs/dbraw/zinc/30/68/73/590306873.db2.gz ZWUGDQMQOZQAQQ-CJNGLKHVSA-N 1 0 243.416 2.269 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1CC[NH2+]CC1 ZINC000877304301 590310602 /nfs/dbraw/zinc/31/06/02/590310602.db2.gz XNNJLRVZHMBNAY-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000877303561 590310614 /nfs/dbraw/zinc/31/06/14/590310614.db2.gz KDFXAUGEPWWXAX-VIFPVBQESA-N 1 0 248.317 2.078 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000877304166 590310652 /nfs/dbraw/zinc/31/06/52/590310652.db2.gz UBVKMNOAEANSPI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000877303199 590310658 /nfs/dbraw/zinc/31/06/58/590310658.db2.gz DAFSYZPSSIACNC-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO CSC(C)(C)CC[NH2+]CCCC#N ZINC000877304248 590310728 /nfs/dbraw/zinc/31/07/28/590310728.db2.gz XGCBENCTYPFNFX-UHFFFAOYSA-N 1 0 200.351 2.411 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)CCc1cccnc1 ZINC000877321881 590316528 /nfs/dbraw/zinc/31/65/28/590316528.db2.gz VKOANMDDPHRTPX-NWDGAFQWSA-N 1 0 217.316 2.152 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000877344745 590318187 /nfs/dbraw/zinc/31/81/87/590318187.db2.gz NMPMELHGRNZOFV-RYUDHWBXSA-N 1 0 232.331 2.486 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1c(C)cccc1O ZINC000877363245 590318631 /nfs/dbraw/zinc/31/86/31/590318631.db2.gz CFIHVVNZJVBOMD-LLVKDONJSA-N 1 0 218.300 2.483 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000877344743 590318685 /nfs/dbraw/zinc/31/86/85/590318685.db2.gz NMPMELHGRNZOFV-NEPJUHHUSA-N 1 0 232.331 2.486 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000877432364 590324019 /nfs/dbraw/zinc/32/40/19/590324019.db2.gz CCEYPLRFNDBKOR-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000877424993 590325326 /nfs/dbraw/zinc/32/53/26/590325326.db2.gz VVMUTPRVFQBBRZ-CQSZACIVSA-N 1 0 246.358 2.109 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000877430435 590325919 /nfs/dbraw/zinc/32/59/19/590325919.db2.gz IRKIGSKUVOTONK-QWHCGFSZSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCCC[C@@H]1O ZINC000877440478 590328284 /nfs/dbraw/zinc/32/82/84/590328284.db2.gz ZNJNXTIANWHJJA-KBPBESRZSA-N 1 0 223.360 2.463 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)cn1)CC(C)C ZINC000877460804 590331213 /nfs/dbraw/zinc/33/12/13/590331213.db2.gz XWTKJJDOBGOUDK-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000877463471 590332214 /nfs/dbraw/zinc/33/22/14/590332214.db2.gz DTRRRRWWNIISLG-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1c(C)cccc1OC ZINC000877480508 590337392 /nfs/dbraw/zinc/33/73/92/590337392.db2.gz XPJBOLFJLHALIU-GFCCVEGCSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2nccnc2c1 ZINC000877479374 590337525 /nfs/dbraw/zinc/33/75/25/590337525.db2.gz BWNIKJYNTBMSNJ-NSHDSACASA-N 1 0 225.295 2.083 20 30 BEEDRO CCOP(=O)(CCC[NH2+]CCC#N)OCC ZINC000877483937 590338102 /nfs/dbraw/zinc/33/81/02/590338102.db2.gz RWFCBDATKHXDGS-UHFFFAOYSA-N 1 0 248.263 2.146 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccnc1F ZINC000877491082 590339955 /nfs/dbraw/zinc/33/99/55/590339955.db2.gz NQWIKRQYLHCYBO-JTQLQIEISA-N 1 0 221.279 2.250 20 30 BEEDRO C[C@H](CCc1cccnc1)[NH2+]CC1(C#N)CC1 ZINC000877494868 590340734 /nfs/dbraw/zinc/34/07/34/590340734.db2.gz VHWCOEVSEKCHEE-GFCCVEGCSA-N 1 0 229.327 2.296 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)c(O)c1 ZINC000877493939 590340896 /nfs/dbraw/zinc/34/08/96/590340896.db2.gz FLDAVGUORLVSCD-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2nccnc2c1)C(C)C ZINC000877512910 590343379 /nfs/dbraw/zinc/34/33/79/590343379.db2.gz FZRJSXDYUCHQQZ-CYBMUJFWSA-N 1 0 239.322 2.377 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cncc(OC)c1C)C(C)C ZINC000877512990 590343477 /nfs/dbraw/zinc/34/34/77/590343477.db2.gz HUYXUFSQCJWPAW-ZDUSSCGKSA-N 1 0 232.327 2.146 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000877512812 590343501 /nfs/dbraw/zinc/34/35/01/590343501.db2.gz CBZUOUXZACGOQD-AWEZNQCLSA-N 1 0 241.338 2.126 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1nc2ccccc2nc1C ZINC000877512972 590343558 /nfs/dbraw/zinc/34/35/58/590343558.db2.gz HKEWAQNXKWGLCX-LBPRGKRZSA-N 1 0 239.322 2.440 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)C(C)C ZINC000877513053 590343789 /nfs/dbraw/zinc/34/37/89/590343789.db2.gz KEFIGUWPAZEXGR-RKDXNWHRSA-N 1 0 220.143 2.428 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)ccc1N(C)C ZINC000877512885 590343805 /nfs/dbraw/zinc/34/38/05/590343805.db2.gz FENZJMBVYWOJBQ-CYBMUJFWSA-N 1 0 234.318 2.393 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(F)c1N)C(C)C ZINC000877513409 590343877 /nfs/dbraw/zinc/34/38/77/590343877.db2.gz VGRNWENPCXTDFG-LBPRGKRZSA-N 1 0 220.291 2.155 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)C(C)C ZINC000877513050 590343898 /nfs/dbraw/zinc/34/38/98/590343898.db2.gz KEFIGUWPAZEXGR-BDAKNGLRSA-N 1 0 220.143 2.428 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C(C)C ZINC000877512869 590343951 /nfs/dbraw/zinc/34/39/51/590343951.db2.gz DVTIRABHRPXCMU-AEJSXWLSSA-N 1 0 201.260 2.278 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](Cc1ccccc1)OC)C(C)C ZINC000877512917 590344106 /nfs/dbraw/zinc/34/41/06/590344106.db2.gz GBIGVYCQXUFURF-CVEARBPZSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)cccc1O ZINC000877513798 590344355 /nfs/dbraw/zinc/34/43/55/590344355.db2.gz ZTFTURSVAWISNK-NSHDSACASA-N 1 0 203.285 2.202 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000877514688 590345558 /nfs/dbraw/zinc/34/55/58/590345558.db2.gz TYUGVNJTDVILNJ-MRVPVSSYSA-N 1 0 210.227 2.131 20 30 BEEDRO C#CCCCCCCN1CC[NH+]2CCC1CC2 ZINC000877526445 590347836 /nfs/dbraw/zinc/34/78/36/590347836.db2.gz ICEISSUWCXTFMS-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cncn1C ZINC000877537391 590350658 /nfs/dbraw/zinc/35/06/58/590350658.db2.gz LXIRVQWADWILKV-UHFFFAOYSA-N 1 0 219.332 2.093 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877551650 590355268 /nfs/dbraw/zinc/35/52/68/590355268.db2.gz IUIHVTZMFRLZOK-MRVPVSSYSA-N 1 0 241.697 2.444 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1nnc(CC)[nH]1 ZINC000877555175 590356549 /nfs/dbraw/zinc/35/65/49/590356549.db2.gz SYZMOUHSTDAXHJ-UHFFFAOYSA-N 1 0 234.347 2.040 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@H](OC)C2CC2)c1 ZINC000877575017 590362537 /nfs/dbraw/zinc/36/25/37/590362537.db2.gz CTVVCTDXPGPAIM-HNNXBMFYSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@@H](OC)C2CC2)c1 ZINC000877575018 590363221 /nfs/dbraw/zinc/36/32/21/590363221.db2.gz CTVVCTDXPGPAIM-OAHLLOKOSA-N 1 0 229.323 2.183 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@H](C)CCO ZINC000877614724 590371684 /nfs/dbraw/zinc/37/16/84/590371684.db2.gz GYRANWJYOPPGCU-CYBMUJFWSA-N 1 0 211.349 2.273 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](OC)[C@H](C)CC)C1 ZINC000877616744 590374915 /nfs/dbraw/zinc/37/49/15/590374915.db2.gz HAUUMVUBEKIZMD-MGPQQGTHSA-N 1 0 223.360 2.393 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C=CCC1 ZINC000877624831 590376617 /nfs/dbraw/zinc/37/66/17/590376617.db2.gz SYPZOWHOAVOQKS-OLZOCXBDSA-N 1 0 234.343 2.394 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1C=CCC1 ZINC000877624833 590376783 /nfs/dbraw/zinc/37/67/83/590376783.db2.gz SYPZOWHOAVOQKS-STQMWFEESA-N 1 0 234.343 2.394 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C=CCC1 ZINC000877624832 590377106 /nfs/dbraw/zinc/37/71/06/590377106.db2.gz SYPZOWHOAVOQKS-QWHCGFSZSA-N 1 0 234.343 2.394 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000877631403 590378399 /nfs/dbraw/zinc/37/83/99/590378399.db2.gz IMHNZIWMLWVDAL-KBPBESRZSA-N 1 0 235.371 2.463 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000877633721 590378928 /nfs/dbraw/zinc/37/89/28/590378928.db2.gz DUIVHJDGMREPKA-ZSBIGDGJSA-N 1 0 247.729 2.495 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](CC)C1CC1)C1CCOCC1 ZINC000877638300 590381501 /nfs/dbraw/zinc/38/15/01/590381501.db2.gz WDNBQJWTQRTDRT-KBPBESRZSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1(C(C)C)CC1 ZINC000877640932 590382780 /nfs/dbraw/zinc/38/27/80/590382780.db2.gz ITUQFHYJYXTZKD-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCCCCCC[NH+]1CC2(C1)CCCO2 ZINC000877653384 590384826 /nfs/dbraw/zinc/38/48/26/590384826.db2.gz IUKMXSJWVJFEFN-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000877651303 590385513 /nfs/dbraw/zinc/38/55/13/590385513.db2.gz WIBRFMQOUJHWCI-GFCCVEGCSA-N 1 0 223.385 2.475 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877659958 590386787 /nfs/dbraw/zinc/38/67/87/590386787.db2.gz BQIVYCSIOOJVRS-CRWXNKLISA-N 1 0 221.344 2.051 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000877661050 590387226 /nfs/dbraw/zinc/38/72/26/590387226.db2.gz WDWUUSMKWZXYAY-MXWKQRLJSA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]CCc1ccc(C)cc1 ZINC000877661911 590387591 /nfs/dbraw/zinc/38/75/91/590387591.db2.gz JPLFSDWEGFBRDU-HNNXBMFYSA-N 1 0 231.339 2.165 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@@H](O)C(F)F ZINC000877676706 590390221 /nfs/dbraw/zinc/39/02/21/590390221.db2.gz CKOUFOSJQGJBGT-LLVKDONJSA-N 1 0 233.302 2.176 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000877700281 590393613 /nfs/dbraw/zinc/39/36/13/590393613.db2.gz LIBLIYREEAOLEM-DCAQKATOSA-N 1 0 212.362 2.410 20 30 BEEDRO COC(C)(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000877707889 590397112 /nfs/dbraw/zinc/39/71/12/590397112.db2.gz NVJAHPUIKVTKGR-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO C[N@H+](CCc1cccc(C#N)c1)CC1CC1 ZINC000877704511 590397422 /nfs/dbraw/zinc/39/74/22/590397422.db2.gz PMOQCKMHYQPKTC-UHFFFAOYSA-N 1 0 214.312 2.443 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877752744 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229.323 2.040 20 30 BEEDRO CC#CCC[N@H+]1CC[C@](OC)(C(F)(F)F)C1 ZINC000880305978 590999131 /nfs/dbraw/zinc/99/91/31/590999131.db2.gz JHQJVXVBPNZKDV-SNVBAGLBSA-N 1 0 235.249 2.053 20 30 BEEDRO N#CCCCC[NH2+]C1(c2ncccn2)CCC1 ZINC000880365437 591011347 /nfs/dbraw/zinc/01/13/47/591011347.db2.gz KXXFKVSEHHGGMI-UHFFFAOYSA-N 1 0 230.315 2.139 20 30 BEEDRO COc1cc(C#N)ccc1CO[NH+]=C(N)C(C)C ZINC000128433683 591038591 /nfs/dbraw/zinc/03/85/91/591038591.db2.gz PJJDCUCGNWEQHA-UHFFFAOYSA-N 1 0 247.298 2.012 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000880467872 591052823 /nfs/dbraw/zinc/05/28/23/591052823.db2.gz KSRUEVHFUPTWAB-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C#CCC1(O)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000880482878 591055232 /nfs/dbraw/zinc/05/52/32/591055232.db2.gz UIBMKPABUIXNBA-KFWWJZLASA-N 1 0 247.382 2.273 20 30 BEEDRO C#CCC1(O)CC[NH+](CCC2CCC2)CC1 ZINC000880482937 591055438 /nfs/dbraw/zinc/05/54/38/591055438.db2.gz WAILEHUAZXGCIH-UHFFFAOYSA-N 1 0 221.344 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C=CC(C)(C)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000880779195 591139917 /nfs/dbraw/zinc/13/99/17/591139917.db2.gz GBYISUGNVDQATQ-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(C#N)cc1F ZINC000128631045 591142489 /nfs/dbraw/zinc/14/24/89/591142489.db2.gz CUYYWGBWHGASLJ-UHFFFAOYSA-N 1 0 235.262 2.142 20 30 BEEDRO C=CCCCCCn1cc([C@@H](C)[NH3+])nn1 ZINC000881290154 591181253 /nfs/dbraw/zinc/18/12/53/591181253.db2.gz YEFDCJLFFYXXJO-SNVBAGLBSA-N 1 0 208.309 2.044 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C)nc1C#N ZINC000881851403 591274200 /nfs/dbraw/zinc/27/42/00/591274200.db2.gz JRTRALAAINVFLI-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C)nc1C#N ZINC000881907874 591277455 /nfs/dbraw/zinc/27/74/55/591277455.db2.gz GNLSTDUGQCMUOE-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO Cc1ccc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C#N)n1 ZINC000882018344 591288219 /nfs/dbraw/zinc/28/82/19/591288219.db2.gz VNXAZPCBKRIMGM-RYUDHWBXSA-N 1 0 244.342 2.156 20 30 BEEDRO CC(C)([NH3+])CNc1nc2ccccc2cc1C#N ZINC000129662345 591349020 /nfs/dbraw/zinc/34/90/20/591349020.db2.gz OREGZDVBYMBCJV-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO Cc1ccc(NCC[C@H](C)[NH+](C)C)c(C#N)n1 ZINC000882599486 591396162 /nfs/dbraw/zinc/39/61/62/591396162.db2.gz YAHKBBUYYHPIOP-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129768010 591401914 /nfs/dbraw/zinc/40/19/14/591401914.db2.gz UHBYNHQEJBBFJR-MWLCHTKSSA-N 1 0 216.756 2.059 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1nnc2ccccn21 ZINC000130525596 591480139 /nfs/dbraw/zinc/48/01/39/591480139.db2.gz JNMRHFQNZXDTOJ-GFCCVEGCSA-N 1 0 244.342 2.216 20 30 BEEDRO CCCCNC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130666080 591495733 /nfs/dbraw/zinc/49/57/33/591495733.db2.gz NBPWDGBDYUERQD-UHFFFAOYSA-N 1 0 223.364 2.271 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc2ccccc2s1 ZINC000883123548 591543890 /nfs/dbraw/zinc/54/38/90/591543890.db2.gz BIDAQWBPZHKGFF-LBPRGKRZSA-N 1 0 245.347 2.375 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CO[C@@H](CC)C2)cc1 ZINC000883132494 591546318 /nfs/dbraw/zinc/54/63/18/591546318.db2.gz SWFAABSZMDAJLW-CABCVRRESA-N 1 0 229.323 2.325 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883133524 591548020 /nfs/dbraw/zinc/54/80/20/591548020.db2.gz BIMGKFQZLSAGRZ-UHFFFAOYSA-N 1 0 233.267 2.442 20 30 BEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@@H](C)O ZINC000883163905 591557191 /nfs/dbraw/zinc/55/71/91/591557191.db2.gz PLWBYTHZCPCVNB-KGLIPLIRSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]C[C@H](C)O ZINC000883163906 591557250 /nfs/dbraw/zinc/55/72/50/591557250.db2.gz PLWBYTHZCPCVNB-UONOGXRCSA-N 1 0 249.354 2.371 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1C(C)C ZINC000883181994 591564168 /nfs/dbraw/zinc/56/41/68/591564168.db2.gz PKSREGKGCPEGJA-CYBMUJFWSA-N 1 0 219.328 2.447 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](CC)CCO)[C@@H]1CCCO1 ZINC000883192344 591567598 /nfs/dbraw/zinc/56/75/98/591567598.db2.gz XFCCPCBNAXRVEB-RDBSUJKOSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)n[nH]1)[C@H]1CCCO1 ZINC000883190626 591567666 /nfs/dbraw/zinc/56/76/66/591567666.db2.gz IVKVHYGRLHGEDD-ZIAGYGMSSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+][C@@H](C)CO ZINC000883192860 591568014 /nfs/dbraw/zinc/56/80/14/591568014.db2.gz JKTNTXIYPUEPNI-KBPBESRZSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1C)[C@H]1CCCO1 ZINC000883205533 591572399 /nfs/dbraw/zinc/57/23/99/591572399.db2.gz YQGROCVLFGBCPD-ZIAGYGMSSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@H]1CCCO1 ZINC000883215815 591575245 /nfs/dbraw/zinc/57/52/45/591575245.db2.gz GMMNDVFJNMQBFK-ZOBORPQBSA-N 1 0 241.375 2.249 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cocn1)[C@@H]1CCCO1 ZINC000883211748 591575392 /nfs/dbraw/zinc/57/53/92/591575392.db2.gz UYEHKNCHHJDDBB-STQMWFEESA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCF)[C@@H]1CCCO1 ZINC000883221328 591576419 /nfs/dbraw/zinc/57/64/19/591576419.db2.gz YZQOEZAINMSBTI-MNOVXSKESA-N 1 0 201.285 2.059 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CCCOC1)[C@H]1CCCO1 ZINC000883223654 591577941 /nfs/dbraw/zinc/57/79/41/591577941.db2.gz UNAGROGHCYVZTA-BFHYXJOUSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCCC3(CC3)C2)nn1 ZINC000883230507 591579868 /nfs/dbraw/zinc/57/98/68/591579868.db2.gz INJFHKJKXKQITA-LBPRGKRZSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)[C@@H]1CCCO1 ZINC000883236793 591582581 /nfs/dbraw/zinc/58/25/81/591582581.db2.gz KYWGHYJASOVKTE-FQUUOJAGSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(OCC#N)cc1 ZINC000131307529 591588782 /nfs/dbraw/zinc/58/87/82/591588782.db2.gz PUQYTQFYGZRZQL-WCQYABFASA-N 1 0 246.310 2.028 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(OCC#N)cc1 ZINC000131308126 591590150 /nfs/dbraw/zinc/59/01/50/591590150.db2.gz PUQYTQFYGZRZQL-YPMHNXCESA-N 1 0 246.310 2.028 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883276365 591605651 /nfs/dbraw/zinc/60/56/51/591605651.db2.gz KJVSUPKDIZAYNZ-GXTWGEPZSA-N 1 0 237.343 2.375 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000883315283 591611695 /nfs/dbraw/zinc/61/16/95/591611695.db2.gz FJLQIJQGJNCXPM-GIPGFSNBSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCN1CC ZINC000883354554 591624323 /nfs/dbraw/zinc/62/43/23/591624323.db2.gz YBJDOCYQQLXJOO-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC3(CCC3)O2)C1 ZINC000883357777 591628931 /nfs/dbraw/zinc/62/89/31/591628931.db2.gz TWUKLHISRXZLMB-JHJVBQTASA-N 1 0 234.343 2.370 20 30 BEEDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883360255 591629185 /nfs/dbraw/zinc/62/91/85/591629185.db2.gz YQVZOWIFVCGFIZ-HNNXBMFYSA-N 1 0 243.354 2.051 20 30 BEEDRO C#CC1([NH2+]Cc2cnc(C)o2)CCCC1 ZINC000883362021 591629597 /nfs/dbraw/zinc/62/95/97/591629597.db2.gz RTRGDRMWNNGMLU-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CC1([NH2+]Cc2cnn(C(C)C)c2)CCCC1 ZINC000883363002 591632539 /nfs/dbraw/zinc/63/25/39/591632539.db2.gz SSVYEWNSAHPHIM-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1nccs1 ZINC000883390755 591637107 /nfs/dbraw/zinc/63/71/07/591637107.db2.gz SYOSBQHHSYABAS-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000883392414 591639595 /nfs/dbraw/zinc/63/95/95/591639595.db2.gz HHJRPEAEMWWVBC-JHJVBQTASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000883390587 591642436 /nfs/dbraw/zinc/64/24/36/591642436.db2.gz PLMZKVSXEOUIDW-ZYHUDNBSSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cscn1 ZINC000883390469 591642489 /nfs/dbraw/zinc/64/24/89/591642489.db2.gz MOMKWMCVCIVTOS-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cncs1 ZINC000883390870 591642583 /nfs/dbraw/zinc/64/25/83/591642583.db2.gz WTUKDWVBJYQXNA-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000883391132 591642618 /nfs/dbraw/zinc/64/26/18/591642618.db2.gz CUVNRFCEXOIHOO-RDBSUJKOSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cnc(C)s1 ZINC000883390422 591643083 /nfs/dbraw/zinc/64/30/83/591643083.db2.gz LQQMFNLOANYKJY-KOLCDFICSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000883391130 591643146 /nfs/dbraw/zinc/64/31/46/591643146.db2.gz CUVNRFCEXOIHOO-MCIONIFRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccoc1 ZINC000883390743 591643153 /nfs/dbraw/zinc/64/31/53/591643153.db2.gz SPGQBMIXFFTDFJ-CMPLNLGQSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000883392117 591643895 /nfs/dbraw/zinc/64/38/95/591643895.db2.gz APCHBBHOEXMFQV-CHWSQXEVSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000883393169 591644945 /nfs/dbraw/zinc/64/49/45/591644945.db2.gz WYFYTSVALJRVTH-SAXRGWBVSA-N 1 0 223.360 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000883392795 591645388 /nfs/dbraw/zinc/64/53/88/591645388.db2.gz OUHSHXBMVFEEKW-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ncc(CC)s1 ZINC000883400622 591647590 /nfs/dbraw/zinc/64/75/90/591647590.db2.gz REMUCMJSTPXQHU-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000883400138 591647599 /nfs/dbraw/zinc/64/75/99/591647599.db2.gz FRXSGANBPJXXOO-SNVBAGLBSA-N 1 0 236.340 2.036 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000883400137 591647880 /nfs/dbraw/zinc/64/78/80/591647880.db2.gz FRXSGANBPJXXOO-JTQLQIEISA-N 1 0 236.340 2.036 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CC1CCCCC1 ZINC000883401274 591648605 /nfs/dbraw/zinc/64/86/05/591648605.db2.gz IJBNJCORDXXSIM-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(OC)c1 ZINC000883401181 591648898 /nfs/dbraw/zinc/64/88/98/591648898.db2.gz FHUNZODHDUUYCM-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OC)cc1 ZINC000883401293 591649098 /nfs/dbraw/zinc/64/90/98/591649098.db2.gz JECTYVPDQPOJOA-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000884035005 591817300 /nfs/dbraw/zinc/81/73/00/591817300.db2.gz PYIITYDBIKUKDB-AWEZNQCLSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000884035323 591817682 /nfs/dbraw/zinc/81/76/82/591817682.db2.gz XEFGSVSGSYVTPH-RYUDHWBXSA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)C(N)=[NH+]OCCOc1cccc(F)c1 ZINC000133631617 591843421 /nfs/dbraw/zinc/84/34/21/591843421.db2.gz OLIMDBJXTCIOET-UHFFFAOYSA-N 1 0 240.278 2.149 20 30 BEEDRO CC(C)CC1(CNC(=[NH2+])NC(C)C)CC1 ZINC000134035245 591874862 /nfs/dbraw/zinc/87/48/62/591874862.db2.gz CRPNCNULAKYMQJ-UHFFFAOYSA-N 1 0 211.353 2.125 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000884300839 591899199 /nfs/dbraw/zinc/89/91/99/591899199.db2.gz IVGGGBJUJWGZEO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)C1 ZINC000884429505 591932025 /nfs/dbraw/zinc/93/20/25/591932025.db2.gz LFLIDJFJGAOLLA-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H]1CNC(NN=C2CC(C)(C)CC[C@H]2C)=[NH+]1 ZINC000884448097 591937779 /nfs/dbraw/zinc/93/77/79/591937779.db2.gz RIMPAHNZPAOOAA-ZJUUUORDSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCSCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134588363 591939243 /nfs/dbraw/zinc/93/92/43/591939243.db2.gz UYZILDCXBKIIPT-UHFFFAOYSA-N 1 0 241.400 2.289 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCC(C)(C)CO)c1 ZINC000135118564 591987314 /nfs/dbraw/zinc/98/73/14/591987314.db2.gz KFIQHOJSLGPABI-UHFFFAOYSA-N 1 0 249.358 2.049 20 30 BEEDRO CCCCCCCC[NH2+][C@H](C)CC(N)=O ZINC000135806669 592058848 /nfs/dbraw/zinc/05/88/48/592058848.db2.gz ZJOVVYRKEFQQDU-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO C[N@@H+](Cc1ccco1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885933410 592110773 /nfs/dbraw/zinc/11/07/73/592110773.db2.gz SRLYFKKMSBJZAK-LBPRGKRZSA-N 1 0 248.326 2.156 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH+]2C3CCC2CC3)CCC1 ZINC000885948724 592112489 /nfs/dbraw/zinc/11/24/89/592112489.db2.gz COOQTJXHYSPOFG-WXRRBKDZSA-N 1 0 234.343 2.058 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885954516 592114622 /nfs/dbraw/zinc/11/46/22/592114622.db2.gz ZWGXKYOXIPAFLV-ZDUSSCGKSA-N 1 0 234.343 2.105 20 30 BEEDRO C[N@@H+](Cc1ccoc1)C[C@@H](O)CC1(C#N)CCC1 ZINC000885962607 592115990 /nfs/dbraw/zinc/11/59/90/592115990.db2.gz CYOBEZJGVQQHLJ-ZDUSSCGKSA-N 1 0 248.326 2.156 20 30 BEEDRO C=CC[NH+]1CCC(NCc2cc(C)co2)CC1 ZINC000885972719 592118809 /nfs/dbraw/zinc/11/88/09/592118809.db2.gz IZEGBHDWVKVQKH-UHFFFAOYSA-N 1 0 234.343 2.328 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1C[C@@]12CCOC2 ZINC000886017140 592132310 /nfs/dbraw/zinc/13/23/10/592132310.db2.gz SMEYYGFPYQJVFW-UONOGXRCSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886038861 592139103 /nfs/dbraw/zinc/13/91/03/592139103.db2.gz CIDAHMNLKGZXEL-UPJWGTAASA-N 1 0 236.359 2.304 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](C3CC3)C2)CCC1 ZINC000886098740 592147810 /nfs/dbraw/zinc/14/78/10/592147810.db2.gz QOKLBHLZRLFCCZ-ZIAGYGMSSA-N 1 0 248.370 2.163 20 30 BEEDRO C=CC[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC1 ZINC000886104933 592155162 /nfs/dbraw/zinc/15/51/62/592155162.db2.gz OKRYEJXEWAXLQA-DGCLKSJQSA-N 1 0 207.317 2.063 20 30 BEEDRO Cc1coc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000886149522 592163876 /nfs/dbraw/zinc/16/38/76/592163876.db2.gz QKONBXOEUOHXEV-WDEREUQCSA-N 1 0 204.273 2.370 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886164450 592166939 /nfs/dbraw/zinc/16/69/39/592166939.db2.gz LNDITXPRUOIFFN-OLZOCXBDSA-N 1 0 209.333 2.452 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000886169685 592168548 /nfs/dbraw/zinc/16/85/48/592168548.db2.gz FRXVDTXDEGIVSB-UPJWGTAASA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886173425 592169654 /nfs/dbraw/zinc/16/96/54/592169654.db2.gz OZTZUAZYHFGNTD-KKTNHOPESA-N 1 0 247.313 2.467 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000886173055 592169764 /nfs/dbraw/zinc/16/97/64/592169764.db2.gz DXAVXCILIOOAOS-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO CC#CC[N@H+](C)CCOC1CCCCC1 ZINC000886220165 592176697 /nfs/dbraw/zinc/17/66/97/592176697.db2.gz DECADUVNHYVSOT-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000886243417 592183929 /nfs/dbraw/zinc/18/39/29/592183929.db2.gz YLUASQLUSQNNHB-YIYPIFLZSA-N 1 0 248.370 2.209 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC23CCCC3)CCC1 ZINC000886267136 592190891 /nfs/dbraw/zinc/19/08/91/592190891.db2.gz GVBGOSRGNALXQZ-CYBMUJFWSA-N 1 0 248.370 2.450 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886271105 592192231 /nfs/dbraw/zinc/19/22/31/592192231.db2.gz XMXRMNSAXXWDJT-BPLDGKMQSA-N 1 0 233.355 2.289 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886277050 592196620 /nfs/dbraw/zinc/19/66/20/592196620.db2.gz FNZFVIGYIZEQOE-CMPLNLGQSA-N 1 0 233.302 2.291 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886280329 592198121 /nfs/dbraw/zinc/19/81/21/592198121.db2.gz COEZVALRDKOWNI-OLZOCXBDSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@](C)(O)C(F)F ZINC000886285478 592200491 /nfs/dbraw/zinc/20/04/91/592200491.db2.gz KFGQURMEGRSPGF-JFGNBEQYSA-N 1 0 231.286 2.186 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000886358690 592216864 /nfs/dbraw/zinc/21/68/64/592216864.db2.gz ZXCMALIGQZTCKG-LBPRGKRZSA-N 1 0 244.338 2.399 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC000886358505 592217097 /nfs/dbraw/zinc/21/70/97/592217097.db2.gz VYHILFQMOOGIAQ-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(O)c2)CCOCC1 ZINC000886384448 592221338 /nfs/dbraw/zinc/22/13/38/592221338.db2.gz RSKRLMFMKCXKGN-UHFFFAOYSA-N 1 0 245.322 2.054 20 30 BEEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000886594294 592270673 /nfs/dbraw/zinc/27/06/73/592270673.db2.gz JLFMTLALEMOJIR-UBHSHLNASA-N 1 0 246.358 2.399 20 30 BEEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)c1cnn(C)c1 ZINC000886604671 592272387 /nfs/dbraw/zinc/27/23/87/592272387.db2.gz AJYGNDPRQWKQHA-ZDUSSCGKSA-N 1 0 246.358 2.401 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cncc(C(=O)OC)c1 ZINC000886621958 592279190 /nfs/dbraw/zinc/27/91/90/592279190.db2.gz HARWONIFJBPQRH-LLVKDONJSA-N 1 0 248.326 2.485 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886631557 592281159 /nfs/dbraw/zinc/28/11/59/592281159.db2.gz PYGYHVNWNGZRDS-TZMCWYRMSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000886629598 592283037 /nfs/dbraw/zinc/28/30/37/592283037.db2.gz JLFMTLALEMOJIR-IACUBPJLSA-N 1 0 246.358 2.399 20 30 BEEDRO C=CCC[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886636805 592285972 /nfs/dbraw/zinc/28/59/72/592285972.db2.gz VKGSSEYCUGTOHY-LBPRGKRZSA-N 1 0 207.321 2.283 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccco2)C1 ZINC000886659879 592292872 /nfs/dbraw/zinc/29/28/72/592292872.db2.gz XRXAWKSMTBFIOJ-QWHCGFSZSA-N 1 0 232.327 2.028 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](CC)C2CCC2)C1 ZINC000886663276 592294798 /nfs/dbraw/zinc/29/47/98/592294798.db2.gz XIKVLQMDXCOUAT-HUUCEWRRSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000886663109 592294890 /nfs/dbraw/zinc/29/48/90/592294890.db2.gz SSHHRTIHPHDGOC-HOTGVXAUSA-N 1 0 246.398 2.252 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686330 592304291 /nfs/dbraw/zinc/30/42/91/592304291.db2.gz NRFXKJGPNCWNGP-CHWSQXEVSA-N 1 0 244.342 2.348 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC3(CCC3)CO2)C1 ZINC000886700935 592306654 /nfs/dbraw/zinc/30/66/54/592306654.db2.gz IMEPOGWEKCWWIH-AGIUHOORSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000886778837 592320499 /nfs/dbraw/zinc/32/04/99/592320499.db2.gz XFJZMHFORRVDPN-STQMWFEESA-N 1 0 234.343 2.082 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928514 592396679 /nfs/dbraw/zinc/39/66/79/592396679.db2.gz BGDZPRZDZFNQAB-CQSZACIVSA-N 1 0 233.286 2.052 20 30 BEEDRO C#CCC1([NH2+]C/C(Cl)=C\Cl)CCOCC1 ZINC000887123658 592445880 /nfs/dbraw/zinc/44/58/80/592445880.db2.gz ZCXYUCDZKKPJBG-CSKARUKUSA-N 1 0 248.153 2.468 20 30 BEEDRO C#CCC1([NH2+]C[Si](C)(C)C)CCOCC1 ZINC000887124902 592447579 /nfs/dbraw/zinc/44/75/79/592447579.db2.gz ZRPVKIFPJULDHR-UHFFFAOYSA-N 1 0 225.408 2.026 20 30 BEEDRO CC[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000222150547 592468676 /nfs/dbraw/zinc/46/86/76/592468676.db2.gz LRZRBJKDBYXOPD-SMDDNHRTSA-N 1 0 232.327 2.322 20 30 BEEDRO C=C(CNC(=[NH2+])NCC(F)F)c1ccccc1 ZINC000887359129 592490114 /nfs/dbraw/zinc/49/01/14/592490114.db2.gz HACJTQHBQFKLIX-UHFFFAOYSA-N 1 0 239.269 2.079 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000300868461 592523782 /nfs/dbraw/zinc/52/37/82/592523782.db2.gz HHTAQUCRLLXNSO-LLVKDONJSA-N 1 0 210.280 2.346 20 30 BEEDRO Cc1cccc(CNC(=[NH2+])NCC2CCC2)c1 ZINC000104162419 592602419 /nfs/dbraw/zinc/60/24/19/592602419.db2.gz XWOOZKRPAMBIFR-UHFFFAOYSA-N 1 0 231.343 2.199 20 30 BEEDRO CC(=O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000104409960 592613151 /nfs/dbraw/zinc/61/31/51/592613151.db2.gz VORDEVPHJMJTFC-HNNXBMFYSA-N 1 0 242.322 2.359 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823877610 608493017 /nfs/dbraw/zinc/49/30/17/608493017.db2.gz BAMDAVDLFGIYNX-SNVBAGLBSA-N 1 0 243.314 2.093 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001026989178 634412511 /nfs/dbraw/zinc/41/25/11/634412511.db2.gz ZGWKNAKTSVTDOS-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000063168372 634440771 /nfs/dbraw/zinc/44/07/71/634440771.db2.gz RQYCCECWYFENSS-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=C(CC)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000313480099 634463934 /nfs/dbraw/zinc/46/39/34/634463934.db2.gz HVSAETGKYSHJCZ-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000313504767 634475266 /nfs/dbraw/zinc/47/52/66/634475266.db2.gz XSGMVCYCIYSHNQ-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000313497622 634473234 /nfs/dbraw/zinc/47/32/34/634473234.db2.gz DTMKDJAJHPQYIV-CQSZACIVSA-N 1 0 230.311 2.147 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccc(OC)c1O ZINC000313500657 634476037 /nfs/dbraw/zinc/47/60/37/634476037.db2.gz JHSXTGBVSOPIIX-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1ccccc1 ZINC000313561006 634491015 /nfs/dbraw/zinc/49/10/15/634491015.db2.gz SHWLRNLMOKXBPX-KBPBESRZSA-N 1 0 217.312 2.112 20 30 BEEDRO C=CC[N@@H+](Cc1cn(CC)nc1C)C1CC1 ZINC000893560034 635160482 /nfs/dbraw/zinc/16/04/82/635160482.db2.gz VDXBCMIIEAXJNF-UHFFFAOYSA-N 1 0 219.332 2.362 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000909386165 634583997 /nfs/dbraw/zinc/58/39/97/634583997.db2.gz FDJKILRKOMCPCB-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000082945734 634599035 /nfs/dbraw/zinc/59/90/35/634599035.db2.gz NZBUTLLKJWCTGM-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC000980649374 635249548 /nfs/dbraw/zinc/24/95/48/635249548.db2.gz XQAQTWBUHPMPCU-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000163099586 635402234 /nfs/dbraw/zinc/40/22/34/635402234.db2.gz APEBDLHZDDPSSG-VIFPVBQESA-N 1 0 206.289 2.355 20 30 BEEDRO C[C@@H](Nc1ccc(CCC#N)cc1)C1C[NH2+]C1 ZINC000925824358 635411921 /nfs/dbraw/zinc/41/19/21/635411921.db2.gz XMWCPKWQVXPDNJ-LLVKDONJSA-N 1 0 229.327 2.163 20 30 BEEDRO C#CCC[N@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931914604 635422968 /nfs/dbraw/zinc/42/29/68/635422968.db2.gz UVJWMXYXTVPXFU-SECBINFHSA-N 1 0 235.224 2.376 20 30 BEEDRO C#CCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000178586551 635536172 /nfs/dbraw/zinc/53/61/72/635536172.db2.gz OMEWISOAFOWHAM-UHFFFAOYSA-N 1 0 229.327 2.443 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@@H](C#N)C1)C1CCC1 ZINC000932153262 635602330 /nfs/dbraw/zinc/60/23/30/635602330.db2.gz YDJFXHNVCNJLMX-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000069768060 631279963 /nfs/dbraw/zinc/27/99/63/631279963.db2.gz BHMOZISASAHPSJ-GFCCVEGCSA-N 1 0 216.328 2.427 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308366402 631304113 /nfs/dbraw/zinc/30/41/13/631304113.db2.gz LSXXBJNGAZYNOH-NXEZZACHSA-N 1 0 215.724 2.286 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308382321 631306644 /nfs/dbraw/zinc/30/66/44/631306644.db2.gz XIJLNUDPVSVELT-UTUOFQBUSA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)C12CCC2 ZINC000308376577 631313548 /nfs/dbraw/zinc/31/35/48/631313548.db2.gz TYOFFUNXFLAXMZ-WDEREUQCSA-N 1 0 222.332 2.083 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)O)[C@H]1CCCc2ccccc21 ZINC000933421605 631372615 /nfs/dbraw/zinc/37/26/15/631372615.db2.gz WXYAJPWTPJEDPS-BBRMVZONSA-N 1 0 243.350 2.380 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926203938 631425393 /nfs/dbraw/zinc/42/53/93/631425393.db2.gz ZVNVSDXHNRCBNU-GKKDLHFNSA-N 1 0 224.348 2.231 20 30 BEEDRO CC[C@H]1CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000308789857 631440470 /nfs/dbraw/zinc/44/04/70/631440470.db2.gz HTXVBSXITIRCBQ-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cc(C#N)cs1 ZINC000933770964 631507398 /nfs/dbraw/zinc/50/73/98/631507398.db2.gz CGCNYCZPSRTGJA-UHFFFAOYSA-N 1 0 218.325 2.465 20 30 BEEDRO CC[C@@H](C[N@H+](C)Cc1cc(C#N)cs1)OC ZINC000933770083 631507550 /nfs/dbraw/zinc/50/75/50/631507550.db2.gz GQCUHMYPITXSPS-NSHDSACASA-N 1 0 238.356 2.477 20 30 BEEDRO Cc1cc(N)nc(NCC(C)(C)CCC#N)[nH+]1 ZINC000893867689 635633613 /nfs/dbraw/zinc/63/36/13/635633613.db2.gz PNIDMOFBNGPSIU-UHFFFAOYSA-N 1 0 233.319 2.109 20 30 BEEDRO C=CC[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000893899003 635635033 /nfs/dbraw/zinc/63/50/33/635635033.db2.gz ZFNBIWPDXRLUJH-UHFFFAOYSA-N 1 0 219.284 2.057 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000893896368 635640007 /nfs/dbraw/zinc/64/00/07/635640007.db2.gz QKXZAUFXOSKCIR-UHFFFAOYSA-N 1 0 233.311 2.447 20 30 BEEDRO COc1ccc(CC[C@@H](C)[NH2+]CCC#N)cc1O ZINC000425979586 635655450 /nfs/dbraw/zinc/65/54/50/635655450.db2.gz LIVGEOPGGCUAEA-LLVKDONJSA-N 1 0 248.326 2.225 20 30 BEEDRO CCC[N@H+](CC)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674526 635656395 /nfs/dbraw/zinc/65/63/95/635656395.db2.gz XMICIVBTICXWHN-AWEZNQCLSA-N 1 0 232.327 2.324 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894121844 635678546 /nfs/dbraw/zinc/67/85/46/635678546.db2.gz YPTPQVXIGZYCAM-NEPJUHHUSA-N 1 0 243.322 2.176 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccsc1 ZINC000308826495 631673955 /nfs/dbraw/zinc/67/39/55/631673955.db2.gz RNCHXEUFTSQANA-VHSXEESVSA-N 1 0 224.329 2.327 20 30 BEEDRO CC[C@@H](C)C[N@H+](CC)CCO[C@H](C)C#N ZINC000308833533 631675496 /nfs/dbraw/zinc/67/54/96/631675496.db2.gz VDGWMLVCDBVPNJ-VXGBXAGGSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)CC1(C)C ZINC000308836520 631678368 /nfs/dbraw/zinc/67/83/68/631678368.db2.gz WPUDFBMAJSPTLT-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001022553574 631682835 /nfs/dbraw/zinc/68/28/35/631682835.db2.gz JBHDIHINJNMOBL-GUTXKFCHSA-N 1 0 248.370 2.156 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CCc1ccc(C#N)cc1 ZINC000934110539 631684479 /nfs/dbraw/zinc/68/44/79/631684479.db2.gz ZQWDNEULNVPQRL-HUUCEWRRSA-N 1 0 244.338 2.210 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000934112559 631687652 /nfs/dbraw/zinc/68/76/52/631687652.db2.gz JIEQASKWIAEACS-LSDHHAIUSA-N 1 0 244.338 2.476 20 30 BEEDRO CCCCCCCCNC1=[NH+]C[C@H](C)N1 ZINC000308868504 631699970 /nfs/dbraw/zinc/69/99/70/631699970.db2.gz LVXXOQRCIZKYKT-NSHDSACASA-N 1 0 211.353 2.284 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ncco1 ZINC000926344034 631718217 /nfs/dbraw/zinc/71/82/17/631718217.db2.gz TWILQWJVSVSOQA-WOPDTQHZSA-N 1 0 236.315 2.306 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934232935 631738707 /nfs/dbraw/zinc/73/87/07/631738707.db2.gz GXQFYZPWHZLUMB-QWHCGFSZSA-N 1 0 216.328 2.404 20 30 BEEDRO C#C[C@@H]([NH2+]CC(C)(C)COC)C(C)(C)C ZINC000308957706 631754650 /nfs/dbraw/zinc/75/46/50/631754650.db2.gz RBHWTFSMMQPRLJ-LLVKDONJSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CCCC[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000308968274 631773768 /nfs/dbraw/zinc/77/37/68/631773768.db2.gz XJBWYAGYNIRZNQ-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(C)C1 ZINC000309003906 631796761 /nfs/dbraw/zinc/79/67/61/631796761.db2.gz OYIMJANIHZMNKW-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C[C@H](C[NH2+]CCC#N)Cc1ccccc1 ZINC000309007663 631799712 /nfs/dbraw/zinc/79/97/12/631799712.db2.gz QKUVJVGFXIHQML-LBPRGKRZSA-N 1 0 202.301 2.368 20 30 BEEDRO CCCCCCCC(=O)N[C@@H](C)C[NH2+]C ZINC000309032227 631806521 /nfs/dbraw/zinc/80/65/21/631806521.db2.gz CMBHWJMCAXJJJC-NSHDSACASA-N 1 0 214.353 2.071 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC[C@H]1COC(C)(C)O1 ZINC000934459259 631847562 /nfs/dbraw/zinc/84/75/62/631847562.db2.gz HMSDZVJESCGBLO-NEPJUHHUSA-N 1 0 225.332 2.178 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(C)nnc1C ZINC000934459250 631847934 /nfs/dbraw/zinc/84/79/34/631847934.db2.gz BHKMQFGMDUGRBG-ZDUSSCGKSA-N 1 0 217.316 2.244 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000934459585 631850281 /nfs/dbraw/zinc/85/02/81/631850281.db2.gz GJQYUQPWXDHUFI-HUUCEWRRSA-N 1 0 231.339 2.240 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCOCC1CCC1 ZINC000934459865 631852110 /nfs/dbraw/zinc/85/21/10/631852110.db2.gz MQHAKUDXVPNNSY-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000934460166 631852137 /nfs/dbraw/zinc/85/21/37/631852137.db2.gz OHGLGMGTXDXOIO-NXEZZACHSA-N 1 0 217.259 2.061 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)CCC(C)C ZINC000934462373 631855554 /nfs/dbraw/zinc/85/55/54/631855554.db2.gz CRZDVYGVKNKZLV-OLZOCXBDSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC1(O)CCCCC1 ZINC000934461627 631857368 /nfs/dbraw/zinc/85/73/68/631857368.db2.gz ZARDKQDYXLKOOM-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000934461971 631858440 /nfs/dbraw/zinc/85/84/40/631858440.db2.gz PQSHLXOGGLOSOF-CYBMUJFWSA-N 1 0 245.326 2.061 20 30 BEEDRO C=CC[C@@H]1CCN1CC[NH+]1CCCCC1 ZINC000934462052 631859100 /nfs/dbraw/zinc/85/91/00/631859100.db2.gz QIKLIQYKGAZHOI-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000934471654 631864042 /nfs/dbraw/zinc/86/40/42/631864042.db2.gz KMRHEBHPAMHBIN-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC1CCCC1 ZINC000934470354 631864528 /nfs/dbraw/zinc/86/45/28/631864528.db2.gz CEZFEUMHOPWGEJ-YPMHNXCESA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC000934472874 631866335 /nfs/dbraw/zinc/86/63/35/631866335.db2.gz RBADIKJJZOIGOV-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1cc2ccccc2s1 ZINC000309086750 631875314 /nfs/dbraw/zinc/87/53/14/631875314.db2.gz PZQRILUDXVYROK-UHFFFAOYSA-N 1 0 232.312 2.108 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC)[C@H]1CCCO1 ZINC000309099243 631881477 /nfs/dbraw/zinc/88/14/77/631881477.db2.gz GBPOJVJWQKPUGT-FVCCEPFGSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC)[C@@H]1CCCO1 ZINC000309099246 631882097 /nfs/dbraw/zinc/88/20/97/631882097.db2.gz GBPOJVJWQKPUGT-NDBYEHHHSA-N 1 0 209.333 2.191 20 30 BEEDRO CC[C@@H](C)C[N@H+](CC)CCO[C@@H](C)C#N ZINC000308833527 631892408 /nfs/dbraw/zinc/89/24/08/631892408.db2.gz VDGWMLVCDBVPNJ-NEPJUHHUSA-N 1 0 212.337 2.283 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCOC(C)(C)C ZINC000934511209 631893375 /nfs/dbraw/zinc/89/33/75/631893375.db2.gz JRTNYVCKXQVYFA-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CC[C@H](C)O1 ZINC000934516668 631897360 /nfs/dbraw/zinc/89/73/60/631897360.db2.gz NEUSQTFZQFNTTC-XQQFMLRXSA-N 1 0 207.317 2.042 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCCCn1ccnc1C ZINC000934515879 631897675 /nfs/dbraw/zinc/89/76/75/631897675.db2.gz ZSHITKCHQSIUGO-OAHLLOKOSA-N 1 0 245.370 2.459 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000309133903 631902864 /nfs/dbraw/zinc/90/28/64/631902864.db2.gz JPBVTZHZPOCGOQ-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@@H](OC)[C@@H]1CCOC1 ZINC000934646466 632001888 /nfs/dbraw/zinc/00/18/88/632001888.db2.gz GJIITBGUUVYVJS-ZIAGYGMSSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCC[C@@H]1C1CC1 ZINC000849041146 632032340 /nfs/dbraw/zinc/03/23/40/632032340.db2.gz LPPNSGVHEBWWAL-VXGBXAGGSA-N 1 0 221.348 2.113 20 30 BEEDRO CCc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000849050339 632049960 /nfs/dbraw/zinc/04/99/60/632049960.db2.gz ZXTVXIBCHZGMLW-UHFFFAOYSA-N 1 0 233.359 2.228 20 30 BEEDRO CCCCCCCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000158416833 632062659 /nfs/dbraw/zinc/06/26/59/632062659.db2.gz CCJXXYDZLRTTHC-NSHDSACASA-N 1 0 214.353 2.153 20 30 BEEDRO CC/[NH+]=C(/N(C)C)N1CC[C@@](C)(CC)C1 ZINC000428745978 635710818 /nfs/dbraw/zinc/71/08/18/635710818.db2.gz MNQWOQKMTAXGBA-NPRUJURCSA-N 1 0 211.353 2.046 20 30 BEEDRO CCC(C)(C)c1ccc(CNC(=[NH2+])NC)cc1 ZINC000178896697 635770440 /nfs/dbraw/zinc/77/04/40/635770440.db2.gz AYPQHVHUZZYVMD-UHFFFAOYSA-N 1 0 233.359 2.408 20 30 BEEDRO Cc1nonc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926514679 632413441 /nfs/dbraw/zinc/41/34/41/632413441.db2.gz YMMXSJCWFZYFBA-LSJOCFKGSA-N 1 0 234.303 2.111 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926520342 632426475 /nfs/dbraw/zinc/42/64/75/632426475.db2.gz IQEQWESQOZLJIE-VIFPVBQESA-N 1 0 224.304 2.030 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000227598319 632430890 /nfs/dbraw/zinc/43/08/90/632430890.db2.gz RASJDNMYJDFFJC-UHFFFAOYSA-N 1 0 216.259 2.200 20 30 BEEDRO C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926536809 632458326 /nfs/dbraw/zinc/45/83/26/632458326.db2.gz PFCRHVIXFLZKCG-RYUDHWBXSA-N 1 0 248.374 2.269 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1CC2CCC1CC2 ZINC000309523568 632467319 /nfs/dbraw/zinc/46/73/19/632467319.db2.gz ULVZKFQHGLUVKJ-WTIISPKJSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(CC)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926550998 632485884 /nfs/dbraw/zinc/48/58/84/632485884.db2.gz PGSMLJZLKANTJB-PNESKVBLSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1nonc1C ZINC000308944187 632562266 /nfs/dbraw/zinc/56/22/66/632562266.db2.gz NEBMKMQOGLQVID-SNVBAGLBSA-N 1 0 209.293 2.212 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](CCCC)COC)C(C)C ZINC000309067007 632633277 /nfs/dbraw/zinc/63/32/77/632633277.db2.gz AAFYNNBWNVEULW-QWHCGFSZSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000309165618 632658188 /nfs/dbraw/zinc/65/81/88/632658188.db2.gz IWDVNGURFWKANO-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000310208332 632709008 /nfs/dbraw/zinc/70/90/08/632709008.db2.gz FPPVGYGBQRRORC-UHFFFAOYSA-N 1 0 231.343 2.277 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccoc1 ZINC001024331161 632728113 /nfs/dbraw/zinc/72/81/13/632728113.db2.gz FEHUZFLIPGYAKN-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001024365691 632732617 /nfs/dbraw/zinc/73/26/17/632732617.db2.gz FRMBYCDBPFGBCD-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1=CCCC1 ZINC001024390381 632734315 /nfs/dbraw/zinc/73/43/15/632734315.db2.gz HEOVCYGDVPUQNU-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926686401 632821530 /nfs/dbraw/zinc/82/15/30/632821530.db2.gz WAFSUHNATJIIJY-STQMWFEESA-N 1 0 211.349 2.483 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)CCC)[C@H]1CCCO1 ZINC000309239014 632832633 /nfs/dbraw/zinc/83/26/33/632832633.db2.gz XZKYCFNBVYGYES-RWMBFGLXSA-N 1 0 209.333 2.193 20 30 BEEDRO COCCCO[NH+]=C(C)c1ccc(N)cc1 ZINC000309246913 632839350 /nfs/dbraw/zinc/83/93/50/632839350.db2.gz CMFNHTIXABJIBU-UHFFFAOYSA-N 1 0 222.288 2.046 20 30 BEEDRO C[C@H]1CC[C@@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339083111 635825162 /nfs/dbraw/zinc/82/51/62/635825162.db2.gz ZDRNGPUSVIMNHS-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO C#CCOCC[NH2+][C@H](c1cccs1)C1CC1 ZINC000309263962 632858812 /nfs/dbraw/zinc/85/88/12/632858812.db2.gz BTOZURKPOVVDFA-ZDUSSCGKSA-N 1 0 235.352 2.439 20 30 BEEDRO C#CCCc1noc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000923881740 632912778 /nfs/dbraw/zinc/91/27/78/632912778.db2.gz AVZIFPOFSDCBSQ-NSHDSACASA-N 1 0 233.315 2.181 20 30 BEEDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1cccc(F)c1C#N ZINC000229606718 632982853 /nfs/dbraw/zinc/98/28/53/632982853.db2.gz BWYDVBBXKIABGB-JOYOIKCWSA-N 1 0 233.290 2.250 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000229891294 632999755 /nfs/dbraw/zinc/99/97/55/632999755.db2.gz GOGNUMCZLWVLAQ-ZDUSSCGKSA-N 1 0 215.296 2.123 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000310852753 633010906 /nfs/dbraw/zinc/01/09/06/633010906.db2.gz RSCMFDHORBCMAL-DZGCQCFKSA-N 1 0 244.338 2.405 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000310852760 633011356 /nfs/dbraw/zinc/01/13/56/633011356.db2.gz RSCMFDHORBCMAL-ZFWWWQNUSA-N 1 0 244.338 2.405 20 30 BEEDRO C#C[C@H]([NH2+]CCSC(C)(C)C)[C@H]1CCCO1 ZINC000309423099 633052056 /nfs/dbraw/zinc/05/20/56/633052056.db2.gz AFRXZQWEADQNJX-NWDGAFQWSA-N 1 0 241.400 2.289 20 30 BEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC000311182960 633083150 /nfs/dbraw/zinc/08/31/50/633083150.db2.gz ZDNYETHDTIMIPP-SWLSCSKDSA-N 1 0 243.354 2.083 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)COCC)cc1 ZINC000309475151 633133600 /nfs/dbraw/zinc/13/36/00/633133600.db2.gz RQBHFGVELDLNKN-LBPRGKRZSA-N 1 0 217.312 2.183 20 30 BEEDRO C=C(Br)C[NH2+][C@]1(CC)CCOC1 ZINC000307974243 633141807 /nfs/dbraw/zinc/14/18/07/633141807.db2.gz JOMZEZMABYIBHN-SECBINFHSA-N 1 0 234.137 2.054 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894738889 635919210 /nfs/dbraw/zinc/91/92/10/635919210.db2.gz ZOOJXXOZCCNFIN-GFCCVEGCSA-N 1 0 233.311 2.211 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(OC)o1 ZINC000894738258 635919368 /nfs/dbraw/zinc/91/93/68/635919368.db2.gz LVCAGFGFGOYPIY-NEPJUHHUSA-N 1 0 237.299 2.111 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccnc2F)C1 ZINC000309573806 633201093 /nfs/dbraw/zinc/20/10/93/633201093.db2.gz NWOHMTLRQGFHDO-GXSJLCMTSA-N 1 0 219.263 2.003 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000304204749 635935730 /nfs/dbraw/zinc/93/57/30/635935730.db2.gz CRKYCTSXUPHINW-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)CCNC(=[NH2+])NC[C@@]1(C)CCCS1 ZINC000305066083 635949652 /nfs/dbraw/zinc/94/96/52/635949652.db2.gz RNCICRYRJGZZAC-GFCCVEGCSA-N 1 0 243.420 2.223 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2COCC2(C)C)c1 ZINC000894940035 636010362 /nfs/dbraw/zinc/01/03/62/636010362.db2.gz GXGQXTUSOJIGLH-AWEZNQCLSA-N 1 0 229.323 2.183 20 30 BEEDRO CCCC1(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000160024311 636033621 /nfs/dbraw/zinc/03/36/21/636033621.db2.gz FVPJEISBZVVWMQ-UHFFFAOYSA-N 1 0 223.364 2.271 20 30 BEEDRO C[NH+](C)C1(CNCC#Cc2ccccc2)CCC1 ZINC000097930982 636063592 /nfs/dbraw/zinc/06/35/92/636063592.db2.gz YDXHIZLGEGEQAF-UHFFFAOYSA-N 1 0 242.366 2.112 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(C)co2)C1 ZINC000895388860 636141349 /nfs/dbraw/zinc/14/13/49/636141349.db2.gz AYLTWGVYMXTELX-GFCCVEGCSA-N 1 0 203.285 2.433 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000320146865 636116922 /nfs/dbraw/zinc/11/69/22/636116922.db2.gz CGJUAYQQGZKSJS-VOAKCMCISA-N 1 0 209.333 2.092 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC=C)cc1 ZINC000166450247 636128000 /nfs/dbraw/zinc/12/80/00/636128000.db2.gz QBDIHKYBAPNMCR-LBPRGKRZSA-N 1 0 215.296 2.363 20 30 BEEDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]CC#Cc1ccccc1 ZINC000328170314 633740393 /nfs/dbraw/zinc/74/03/93/633740393.db2.gz KJVGKANSVJCGJU-GDBMZVCRSA-N 1 0 243.350 2.179 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1cccc(C)c1C ZINC000328218180 633741363 /nfs/dbraw/zinc/74/13/63/633741363.db2.gz YUOPGRARLZUGLC-UHFFFAOYSA-N 1 0 244.382 2.348 20 30 BEEDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1(C#N)CC1 ZINC000926873307 633758032 /nfs/dbraw/zinc/75/80/32/633758032.db2.gz FJGCRHAPMWMZBG-NWDGAFQWSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000893093724 633828227 /nfs/dbraw/zinc/82/82/27/633828227.db2.gz XIDDMALFHCRZFS-UHFFFAOYSA-N 1 0 245.322 2.285 20 30 BEEDRO CN(C(=[NH2+])NC[C@@H]1CCc2ccccc21)C1CC1 ZINC000181479673 633915900 /nfs/dbraw/zinc/91/59/00/633915900.db2.gz BBGLYCHNNUAJHV-LBPRGKRZSA-N 1 0 243.354 2.125 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]CCC(=O)NC ZINC000309954087 633975244 /nfs/dbraw/zinc/97/52/44/633975244.db2.gz HNSCVOVKZLHOBW-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCNc1ccc(OCC[NH3+])cc1 ZINC000309657123 633984286 /nfs/dbraw/zinc/98/42/86/633984286.db2.gz ZTDZMUWBGYYIBX-UHFFFAOYSA-N 1 0 206.289 2.012 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@@H]1CCCO1 ZINC000309731225 633997847 /nfs/dbraw/zinc/99/78/47/633997847.db2.gz BFAODVXMFMUXES-AGIUHOORSA-N 1 0 221.344 2.336 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(C(C)C)C(C)C ZINC000193861847 634293770 /nfs/dbraw/zinc/29/37/70/634293770.db2.gz FTOVYHCVVYQLEW-UHFFFAOYSA-N 1 0 225.380 2.395 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccccc1 ZINC001027728388 635128456 /nfs/dbraw/zinc/12/84/56/635128456.db2.gz ZGUCISWSWLAZCI-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO CCCSC[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000893545620 635133011 /nfs/dbraw/zinc/13/30/11/635133011.db2.gz UNPKAPLMPDWYQM-NXEZZACHSA-N 1 0 200.351 2.267 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000424022810 635151218 /nfs/dbraw/zinc/15/12/18/635151218.db2.gz DUUOCFGYYGJKBF-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001010079969 635185708 /nfs/dbraw/zinc/18/57/08/635185708.db2.gz OCZKVHFTLHDNID-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO N#CCC[NH2+]CCSCc1ccccc1 ZINC000336655698 635200932 /nfs/dbraw/zinc/20/09/32/635200932.db2.gz ABDXLDMLXUBUIM-UHFFFAOYSA-N 1 0 220.341 2.423 20 30 BEEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCC#N)CS1 ZINC000336689011 635219803 /nfs/dbraw/zinc/21/98/03/635219803.db2.gz OBMKDPDZVQTHKE-VHSXEESVSA-N 1 0 212.362 2.410 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+]CC(C)(C)C#N)CCO1 ZINC000336746050 635257838 /nfs/dbraw/zinc/25/78/38/635257838.db2.gz WARCIZGIEPIVND-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[N@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000034653044 635260823 /nfs/dbraw/zinc/26/08/23/635260823.db2.gz YONQYMVKRQYABC-UHFFFAOYSA-N 1 0 216.284 2.031 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC000980980435 635307756 /nfs/dbraw/zinc/30/77/56/635307756.db2.gz PFUHPZSNRJWJIU-UONOGXRCSA-N 1 0 248.370 2.156 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000250827059 635498151 /nfs/dbraw/zinc/49/81/51/635498151.db2.gz OCCRAVBIMLMUFX-ZIAGYGMSSA-N 1 0 243.391 2.429 20 30 BEEDRO CCCCCCCN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250843446 635701006 /nfs/dbraw/zinc/70/10/06/635701006.db2.gz ZAOXYIRJULEMKM-QWHCGFSZSA-N 1 0 228.380 2.005 20 30 BEEDRO COc1cccc([C@H](C)[NH2+]CCO[C@H](C)C#N)c1 ZINC000310721166 636007592 /nfs/dbraw/zinc/00/75/92/636007592.db2.gz RAXMNSRPTXFUBN-NEPJUHHUSA-N 1 0 248.326 2.274 20 30 BEEDRO CC/[NH+]=C(/N(C)C)N1CC[C@@H](CC(C)C)C1 ZINC000429093477 636059057 /nfs/dbraw/zinc/05/90/57/636059057.db2.gz KXDGEGLSVWBBNW-JOLOJFPGSA-N 1 0 225.380 2.292 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(O)CCC1)[C@H]1CCCO1 ZINC000883188570 636178847 /nfs/dbraw/zinc/17/88/47/636178847.db2.gz MJPGVQOLGWXADX-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896506546 636199371 /nfs/dbraw/zinc/19/93/71/636199371.db2.gz UMHUTXCMYJNRHR-NWDGAFQWSA-N 1 0 205.305 2.162 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896506548 636199459 /nfs/dbraw/zinc/19/94/59/636199459.db2.gz UMHUTXCMYJNRHR-VXGBXAGGSA-N 1 0 205.305 2.162 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000167888893 636276377 /nfs/dbraw/zinc/27/63/77/636276377.db2.gz HCUBAEVCTAZQJE-SNVBAGLBSA-N 1 0 215.724 2.430 20 30 BEEDRO CC[NH+]=C(NCCc1ccco1)NC(C)(C)C ZINC000303482550 636310461 /nfs/dbraw/zinc/31/04/61/636310461.db2.gz RCEHUROMMQTPPG-UHFFFAOYSA-N 1 0 237.347 2.176 20 30 BEEDRO Cc1cccc(CCNC(=[NH2+])NCC2CCC2)c1 ZINC000303889127 636315991 /nfs/dbraw/zinc/31/59/91/636315991.db2.gz PHMHXTPDXVKUCQ-UHFFFAOYSA-N 1 0 245.370 2.242 20 30 BEEDRO CC(C)CC1(CNC2=[NH+]C[C@H](C)N2)CCC1 ZINC000262659700 636433462 /nfs/dbraw/zinc/43/34/62/636433462.db2.gz MOTNUOVGYZXWPN-NSHDSACASA-N 1 0 223.364 2.140 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC)[C@@H]1C ZINC000985862442 636436492 /nfs/dbraw/zinc/43/64/92/636436492.db2.gz XHBLNRAJNKIPDL-GHMZBOCLSA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC)[C@H]1C ZINC000985862448 636436503 /nfs/dbraw/zinc/43/65/03/636436503.db2.gz XHBLNRAJNKIPDL-QWRGUYRKSA-N 1 0 244.766 2.118 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000840728687 636438800 /nfs/dbraw/zinc/43/88/00/636438800.db2.gz MQQXFGQUTWQHTP-LBPRGKRZSA-N 1 0 231.343 2.283 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(CC)CC)[C@H]1C ZINC000985999083 636462796 /nfs/dbraw/zinc/46/27/96/636462796.db2.gz BYZBMZSGKGZXMZ-AAEUAGOBSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(F)=C(C)C)[C@H]1C ZINC000986144866 636534301 /nfs/dbraw/zinc/53/43/01/636534301.db2.gz DPSYTQOKYFOIHC-WDEREUQCSA-N 1 0 240.322 2.015 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000321075815 636557184 /nfs/dbraw/zinc/55/71/84/636557184.db2.gz AWKKXGGEOUJDSX-VXGBXAGGSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000321503899 636604683 /nfs/dbraw/zinc/60/46/83/636604683.db2.gz VDZKUJFOCCMGCA-BXUZGUMPSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@H](C(=O)OC)[NH+]1CCCCCCCC1 ZINC000321441992 636646071 /nfs/dbraw/zinc/64/60/71/636646071.db2.gz FGEJKMYQGJVRBJ-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 ZINC000987792893 636668844 /nfs/dbraw/zinc/66/88/44/636668844.db2.gz IEBLOWZBHGZSOU-VXGBXAGGSA-N 1 0 248.326 2.048 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccoc2)C1 ZINC000988072913 636677033 /nfs/dbraw/zinc/67/70/33/636677033.db2.gz YBHZJTZRVSJANR-YPMHNXCESA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988056382 636677245 /nfs/dbraw/zinc/67/72/45/636677245.db2.gz KOQYWSBDVRAORD-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988434187 636709652 /nfs/dbraw/zinc/70/96/52/636709652.db2.gz DCMNGFLJRUNORW-JSGCOSHPSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591588 636742485 /nfs/dbraw/zinc/74/24/85/636742485.db2.gz RICCUIWYFBASLR-MNOVXSKESA-N 1 0 240.322 2.015 20 30 BEEDRO C=CC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191918983 636764985 /nfs/dbraw/zinc/76/49/85/636764985.db2.gz AWQJQWVXPSAYQP-OLZOCXBDSA-N 1 0 203.285 2.292 20 30 BEEDRO C=C(CSCC[NH+](CC)CC)C(=O)OCC ZINC000084059624 636875846 /nfs/dbraw/zinc/87/58/46/636875846.db2.gz PMHZEEIRBFJXRD-UHFFFAOYSA-N 1 0 245.388 2.181 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC000989892011 636890775 /nfs/dbraw/zinc/89/07/75/636890775.db2.gz DFLDDHHREPSRLB-ZFWWWQNUSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CC[N@@H+]1CC[C@]2(NC(=O)CC3CC3)CCC[C@H]12 ZINC000989903089 636894000 /nfs/dbraw/zinc/89/40/00/636894000.db2.gz ITNZZQNHSFWDRL-DZGCQCFKSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC000990032571 636914996 /nfs/dbraw/zinc/91/49/96/636914996.db2.gz FEAFABUGNVTRRE-QXMHVHEDSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000237967687 636921904 /nfs/dbraw/zinc/92/19/04/636921904.db2.gz QEMBFLLJAARUFP-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=C(Cl)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676081 636937492 /nfs/dbraw/zinc/93/74/92/636937492.db2.gz HESCAAKOEFDCHL-UHFFFAOYSA-N 1 0 240.690 2.479 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)OCCCCC#N ZINC000923892233 637008027 /nfs/dbraw/zinc/00/80/27/637008027.db2.gz OFXXWWCZJLADMG-GFCCVEGCSA-N 1 0 238.331 2.096 20 30 BEEDRO C=CC[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000923892183 637008698 /nfs/dbraw/zinc/00/86/98/637008698.db2.gz VIIKGRCEGPOSKQ-NWDGAFQWSA-N 1 0 225.332 2.367 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c1 ZINC000898387493 637041160 /nfs/dbraw/zinc/04/11/60/637041160.db2.gz PCYQHSQXSOVMAD-HUUCEWRRSA-N 1 0 242.322 2.073 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](CO)C1 ZINC000927144225 637053360 /nfs/dbraw/zinc/05/33/60/637053360.db2.gz JWFIGQJENUUFQU-SYQHCUMBSA-N 1 0 223.360 2.482 20 30 BEEDRO C/C=C\C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903069435 637340760 /nfs/dbraw/zinc/34/07/60/637340760.db2.gz GTEUPLHZMBOCDM-UMBAGQNISA-N 1 0 201.273 2.180 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000903093208 637343208 /nfs/dbraw/zinc/34/32/08/637343208.db2.gz HBFKTLNLNRSADA-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000903180370 637349611 /nfs/dbraw/zinc/34/96/11/637349611.db2.gz ZXLMPIAJXBUFQI-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2OC)c1 ZINC000903182556 637351808 /nfs/dbraw/zinc/35/18/08/637351808.db2.gz DTDQIIGQMMWOGW-CABCVRRESA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCC(C)(C)c1noc(CC(C)(C)C[NH3+])n1 ZINC000904725027 637454540 /nfs/dbraw/zinc/45/45/40/637454540.db2.gz VGXRUEQVMFUWEC-UHFFFAOYSA-N 1 0 237.347 2.451 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905045737 637564114 /nfs/dbraw/zinc/56/41/14/637564114.db2.gz FFJGTNBGBFAUGN-SNVBAGLBSA-N 1 0 241.404 2.208 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905244444 637705704 /nfs/dbraw/zinc/70/57/04/637705704.db2.gz YAPOSKSIFDLCBH-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000905567143 637848887 /nfs/dbraw/zinc/84/88/87/637848887.db2.gz YVRMFZAKSQGNEA-AWEZNQCLSA-N 1 0 248.370 2.377 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000905809256 637935642 /nfs/dbraw/zinc/93/56/42/637935642.db2.gz VVTQVSCSPBHKHM-OLZOCXBDSA-N 1 0 247.342 2.121 20 30 BEEDRO CC(C)C1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905953794 638002315 /nfs/dbraw/zinc/00/23/15/638002315.db2.gz PLWFUDGZQLWDOW-ZDUSSCGKSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906313485 638140562 /nfs/dbraw/zinc/14/05/62/638140562.db2.gz PRFKGDGFKPEXHU-LBPRGKRZSA-N 1 0 246.358 2.401 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCOc1cccnc1C#N ZINC000906507502 638179861 /nfs/dbraw/zinc/17/98/61/638179861.db2.gz NWWLOWNFVAWCHY-GFCCVEGCSA-N 1 0 245.326 2.206 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906726200 638239271 /nfs/dbraw/zinc/23/92/71/638239271.db2.gz YTJYQMXZRSPUMO-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCCn1ccnc1 ZINC000043419729 638309728 /nfs/dbraw/zinc/30/97/28/638309728.db2.gz SNXFXEMINIDWAS-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)C(=C)CC[NH+](C)C ZINC000907807915 638485384 /nfs/dbraw/zinc/48/53/84/638485384.db2.gz PPOLQUJUUKJOBY-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908930020 639104250 /nfs/dbraw/zinc/10/42/50/639104250.db2.gz RAQOTBYBWDARDO-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)[C@H](C)O)c1ccccc1 ZINC000930227312 639643000 /nfs/dbraw/zinc/64/30/00/639643000.db2.gz FLXFQJKREYVKHR-QEJZJMRPSA-N 1 0 249.354 2.025 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000930239659 639646735 /nfs/dbraw/zinc/64/67/35/639646735.db2.gz QSFRHFNCYCBMHM-ZIAGYGMSSA-N 1 0 230.311 2.002 20 30 BEEDRO C=CC1(CC(=O)NCCC[NH2+]C)CCCCC1 ZINC000911675856 639716374 /nfs/dbraw/zinc/71/63/74/639716374.db2.gz GQFKYSTUJZKNLD-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000930367190 639732117 /nfs/dbraw/zinc/73/21/17/639732117.db2.gz BQAFJAKYYPEUOK-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccccc1 ZINC000035604073 639738234 /nfs/dbraw/zinc/73/82/34/639738234.db2.gz CYRBLHZDWMROGD-CHWSQXEVSA-N 1 0 218.300 2.002 20 30 BEEDRO CO[C@H](C)C[N@H+](C)CC1CCC(C#N)CC1 ZINC000930475988 639772679 /nfs/dbraw/zinc/77/26/79/639772679.db2.gz LFWOVYAXHAYKSK-PNESKVBLSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)CC1CCC(C#N)CC1 ZINC000930489564 639778768 /nfs/dbraw/zinc/77/87/68/639778768.db2.gz SLKNPUWIXBDYSM-HSBZDZAISA-N 1 0 238.375 2.409 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[NH2+]C(C)C ZINC000911762043 639789323 /nfs/dbraw/zinc/78/93/23/639789323.db2.gz JSKXLTVFGGFZIT-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911768439 639793699 /nfs/dbraw/zinc/79/36/99/639793699.db2.gz QMWBOWFJSZCFAH-OCCSQVGLSA-N 1 0 246.354 2.405 20 30 BEEDRO CC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@H](C)CO ZINC000930538214 639806140 /nfs/dbraw/zinc/80/61/40/639806140.db2.gz LXADCIYLKBWLKT-CYBMUJFWSA-N 1 0 246.354 2.378 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)c1cccc(C2CC2)c1 ZINC000930595395 639815795 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/nfs/dbraw/zinc/91/97/53/639919753.db2.gz FOMGBCIUHDFNJA-OAHLLOKOSA-N 1 0 248.370 2.307 20 30 BEEDRO C#CC1CC[NH+](C[C@H](COC)C(C)C)CC1 ZINC000930820895 639920869 /nfs/dbraw/zinc/92/08/69/639920869.db2.gz IFPOPEXPDWLHFL-CQSZACIVSA-N 1 0 223.360 2.250 20 30 BEEDRO Cc1cccc(C2([NH2+]C[C@H](O)CC#N)CCC2)c1 ZINC000930819108 639921354 /nfs/dbraw/zinc/92/13/54/639921354.db2.gz RVEFTFGRUPHOQK-CQSZACIVSA-N 1 0 244.338 2.238 20 30 BEEDRO Cc1ccccc1C1([NH2+]C[C@H](O)CC#N)CCC1 ZINC000930843027 639940584 /nfs/dbraw/zinc/94/05/84/639940584.db2.gz ODHGOSRIUAQRBN-CYBMUJFWSA-N 1 0 244.338 2.238 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000930884815 639970263 /nfs/dbraw/zinc/97/02/63/639970263.db2.gz HIDUMOZXVPKXOS-MNOVXSKESA-N 1 0 249.276 2.035 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnc(CC)o2)C1 ZINC000930884605 639971313 /nfs/dbraw/zinc/97/13/13/639971313.db2.gz GKCUDKODTUTHOO-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1CC1CCCC1 ZINC000930891548 639976841 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640086302 /nfs/dbraw/zinc/08/63/02/640086302.db2.gz LOWYITHIXIRXOK-NWDGAFQWSA-N 1 0 246.358 2.326 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000924846186 640087834 /nfs/dbraw/zinc/08/78/34/640087834.db2.gz LOWYITHIXIRXOK-VXGBXAGGSA-N 1 0 246.358 2.326 20 30 BEEDRO C=CCNC(NC(C)(C)C)=[NH+]CCC1CC1 ZINC000912497031 640092911 /nfs/dbraw/zinc/09/29/11/640092911.db2.gz MFKLAABMGWKAAE-UHFFFAOYSA-N 1 0 223.364 2.306 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1CCSC1)NC(C)(C)C ZINC000912499162 640095164 /nfs/dbraw/zinc/09/51/64/640095164.db2.gz MWDQFYYDUWVDOO-JTQLQIEISA-N 1 0 243.420 2.093 20 30 BEEDRO CC(C)(C)NC(NCC1CC1)=[NH+]CC1CC1 ZINC000912505316 640100126 /nfs/dbraw/zinc/10/01/26/640100126.db2.gz AGUWVJNRSDQMOX-UHFFFAOYSA-N 1 0 223.364 2.140 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCC1CCC1 ZINC000912505564 640101645 /nfs/dbraw/zinc/10/16/45/640101645.db2.gz ZDHUBRLMJXDGGN-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCC[NH+]=C(NCCCSC)NC(C)(C)C ZINC000912509199 640102055 /nfs/dbraw/zinc/10/20/55/640102055.db2.gz WWMVCXFDTTWPOU-UHFFFAOYSA-N 1 0 245.436 2.483 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CC)C1CC1 ZINC000912513292 640103218 /nfs/dbraw/zinc/10/32/18/640103218.db2.gz GZPBNNQUYMRLCV-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](C[N@H+](C)C[C@H](O)CC#N)C1CCCCC1 ZINC000931254959 640116069 /nfs/dbraw/zinc/11/60/69/640116069.db2.gz DIBUKHMPTDEVNK-GXTWGEPZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCC[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311183 640140100 /nfs/dbraw/zinc/14/01/00/640140100.db2.gz OKXZZSLEAYYKMY-KBPBESRZSA-N 1 0 222.376 2.226 20 30 BEEDRO C=C(Cl)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931305720 640141890 /nfs/dbraw/zinc/14/18/90/640141890.db2.gz BXAYTNXYQHKYGB-VXGBXAGGSA-N 1 0 228.767 2.013 20 30 BEEDRO C=CCCC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931457713 640212096 /nfs/dbraw/zinc/21/20/96/640212096.db2.gz AKAUOJSPAFZNAC-JTQLQIEISA-N 1 0 205.305 2.295 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)N1CCn2ccnc21 ZINC000931525119 640257603 /nfs/dbraw/zinc/25/76/03/640257603.db2.gz CMAMJDXAHKPYJQ-NSHDSACASA-N 1 0 238.294 2.336 20 30 BEEDRO C=CCCC[C@@H]([NH2+]C[C@@H](O)CO)c1ccccc1 ZINC000931693743 640320534 /nfs/dbraw/zinc/32/05/34/640320534.db2.gz DOFFQBDBCDYTFP-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000931713903 640331449 /nfs/dbraw/zinc/33/14/49/640331449.db2.gz BKXROZNZNFMQKZ-WDEREUQCSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnc(CC)o2)C1 ZINC000931714391 640332395 /nfs/dbraw/zinc/33/23/95/640332395.db2.gz GCFRVZHFVVSKFE-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1CN(C)CC2 ZINC000931719362 640333399 /nfs/dbraw/zinc/33/33/99/640333399.db2.gz LITQVCUCXMVEMO-UPJWGTAASA-N 1 0 208.349 2.120 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@H]1c1ccccc1 ZINC000931747544 640350003 /nfs/dbraw/zinc/35/00/03/640350003.db2.gz VIYGUEJJTFKBAQ-BPLDGKMQSA-N 1 0 244.338 2.344 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2C[C@H]2CC)CCOCC1 ZINC000931759717 640352493 /nfs/dbraw/zinc/35/24/93/640352493.db2.gz ANCMMEIMBPNFJY-OLZOCXBDSA-N 1 0 221.344 2.195 20 30 BEEDRO CC[C@H](CO)[NH2+]CC#Cc1ccccc1Cl ZINC000931772360 640364697 /nfs/dbraw/zinc/36/46/97/640364697.db2.gz ODHKDTBMECJDRV-GFCCVEGCSA-N 1 0 237.730 2.052 20 30 BEEDRO CC[C@H](CO)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000931774160 640365875 /nfs/dbraw/zinc/36/58/75/640365875.db2.gz XLKCNIJCIGYPON-GFCCVEGCSA-N 1 0 238.718 2.072 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)C)C[C@@H]1C ZINC000947071290 640371898 /nfs/dbraw/zinc/37/18/98/640371898.db2.gz SANQLFHUCQFKKI-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000932123279 640432846 /nfs/dbraw/zinc/43/28/46/640432846.db2.gz JCWBDZFJERHOHS-JHJVBQTASA-N 1 0 211.349 2.291 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931936607 640396196 /nfs/dbraw/zinc/39/61/96/640396196.db2.gz PYAOUDBYYPMXHK-ZDUSSCGKSA-N 1 0 247.342 2.361 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000932127662 640434620 /nfs/dbraw/zinc/43/46/20/640434620.db2.gz ZBXYHWUUVFDBNQ-CHWSQXEVSA-N 1 0 209.333 2.004 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC000932149021 640440764 /nfs/dbraw/zinc/44/07/64/640440764.db2.gz VCORUTXGZBKBNJ-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC000932149027 640441886 /nfs/dbraw/zinc/44/18/86/640441886.db2.gz VCORUTXGZBKBNJ-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1COC(C)(C)C ZINC000932164030 640446136 /nfs/dbraw/zinc/44/61/36/640446136.db2.gz UELWBHVMZQEHCF-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO N#Cc1ccc(N[C@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000036268912 640448755 /nfs/dbraw/zinc/44/87/55/640448755.db2.gz NRGCXRWFSBRESG-LBPRGKRZSA-N 1 0 242.326 2.040 20 30 BEEDRO CC[NH+]=C(NCC1(C2CC2)CC1)N1CCCC1 ZINC000156567518 640466208 /nfs/dbraw/zinc/46/62/08/640466208.db2.gz TZMPOVQEEGSDGL-UHFFFAOYSA-N 1 0 235.375 2.238 20 30 BEEDRO C=C(Br)C[NH2+]C1CCC(OC)CC1 ZINC000164385754 640472695 /nfs/dbraw/zinc/47/26/95/640472695.db2.gz QAKUEJMFAPSYJN-UHFFFAOYSA-N 1 0 248.164 2.442 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)OCC)C(C)(C)C ZINC000932463400 640535226 /nfs/dbraw/zinc/53/52/26/640535226.db2.gz HEFAJVPQMRDWHH-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CC[N@H+](C[C@H]1CC(C)(C)CO1)C(C)C ZINC000932383187 640511444 /nfs/dbraw/zinc/51/14/44/640511444.db2.gz HBWOQCMVCHVBOC-GFCCVEGCSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@@H+](C[C@H](OCC)C1CC1)C(C)C ZINC000932384741 640514495 /nfs/dbraw/zinc/51/44/95/640514495.db2.gz XDUXBQJWLAQLKI-ZDUSSCGKSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000932390646 640516939 /nfs/dbraw/zinc/51/69/39/640516939.db2.gz AINCASMFYASFBN-UHFFFAOYSA-N 1 0 232.283 2.438 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](Cc1ccccn1)CC(C)C ZINC000932447496 640529471 /nfs/dbraw/zinc/52/94/71/640529471.db2.gz SVOVDMLQPFMFRK-OAHLLOKOSA-N 1 0 248.370 2.477 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@]12CCOC2)C(C)(C)C ZINC000932461670 640531332 /nfs/dbraw/zinc/53/13/32/640531332.db2.gz UUGNYWIJUXFWAG-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCO[C@H]1C)C(C)(C)C ZINC000932461426 640532258 /nfs/dbraw/zinc/53/22/58/640532258.db2.gz BWXGBDYXRXZATR-NWDGAFQWSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@H+](C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000932461069 640532807 /nfs/dbraw/zinc/53/28/07/640532807.db2.gz QGYPIKPKTQQTJL-CYBMUJFWSA-N 1 0 248.370 2.165 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCO[C@@H]1C)C(C)(C)C ZINC000932461429 640532997 /nfs/dbraw/zinc/53/29/97/640532997.db2.gz BWXGBDYXRXZATR-VXGBXAGGSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@H+](C[C@H](O)c1ccccc1)C(C)(C)C ZINC000932461433 640533484 /nfs/dbraw/zinc/53/34/84/640533484.db2.gz CAGWDBMJWDEDSO-AWEZNQCLSA-N 1 0 231.339 2.454 20 30 BEEDRO C#CC[N@@H+](CC(OCC)OCC)C(C)(C)C ZINC000932462314 640533876 /nfs/dbraw/zinc/53/38/76/640533876.db2.gz VEJQMCXCOOHNER-UHFFFAOYSA-N 1 0 227.348 2.119 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C(C)(C)C ZINC000932463063 640534452 /nfs/dbraw/zinc/53/44/52/640534452.db2.gz FPBUZBMVFLZRQE-NEPJUHHUSA-N 1 0 209.333 2.288 20 30 BEEDRO C#CC[N@@H+](C[C@H]1C[C@@H](OC)C1)C(C)(C)C ZINC000932462374 640534937 /nfs/dbraw/zinc/53/49/37/640534937.db2.gz XLEWMLRUSRBPMJ-TXEJJXNPSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@@H+](CCOC1CCC1)C(C)(C)C ZINC000932464379 640538010 /nfs/dbraw/zinc/53/80/10/640538010.db2.gz YKWGTTHBBPEJFG-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCCCO1)C(C)(C)C ZINC000932464114 640538323 /nfs/dbraw/zinc/53/83/23/640538323.db2.gz MCTRWSDDPKJQHK-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000932489963 640554229 /nfs/dbraw/zinc/55/42/29/640554229.db2.gz UILRNKQACWYJHR-SMDDNHRTSA-N 1 0 249.741 2.316 20 30 BEEDRO C#CCCC[N@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC000932613812 640585729 /nfs/dbraw/zinc/58/57/29/640585729.db2.gz RANRIFNXGIFDTB-UHFFFAOYSA-N 1 0 245.370 2.410 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CCCC ZINC000932616995 640588612 /nfs/dbraw/zinc/58/86/12/640588612.db2.gz IYXZBWZEZBZDFH-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000932714202 640604200 /nfs/dbraw/zinc/60/42/00/640604200.db2.gz ZYUBRCOWJWOXII-STQMWFEESA-N 1 0 240.391 2.291 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000224260059 640608616 /nfs/dbraw/zinc/60/86/16/640608616.db2.gz NOWJCRNCCPYYIV-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(O)(C3CCC3)CC2)C1 ZINC000932819287 640614707 /nfs/dbraw/zinc/61/47/07/640614707.db2.gz NLWLYZZLYMDNIM-GXTWGEPZSA-N 1 0 248.370 2.306 20 30 BEEDRO CCCCCCC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932931822 640644913 /nfs/dbraw/zinc/64/49/13/640644913.db2.gz CUXPYVTXGOMHIB-UHFFFAOYSA-N 1 0 238.375 2.439 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000166462702 640645423 /nfs/dbraw/zinc/64/54/23/640645423.db2.gz HFTCXROSRNPXRI-XQQFMLRXSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000166462588 640646318 /nfs/dbraw/zinc/64/63/18/640646318.db2.gz HFTCXROSRNPXRI-YNEHKIRRSA-N 1 0 221.344 2.336 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933079813 640663635 /nfs/dbraw/zinc/66/36/35/640663635.db2.gz OWRVIWMHQNWYHC-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO CCCCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000157313154 640667180 /nfs/dbraw/zinc/66/71/80/640667180.db2.gz NCBDMHHLSVUAGZ-UHFFFAOYSA-N 1 0 226.364 2.154 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C ZINC000933170586 640674611 /nfs/dbraw/zinc/67/46/11/640674611.db2.gz IZCGDZDMZZVNRP-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCC1([NH2+]CCC(C)(C)O)CCCCC1 ZINC000933265240 640693939 /nfs/dbraw/zinc/69/39/39/640693939.db2.gz CZBRNQKEHMUVMO-UHFFFAOYSA-N 1 0 223.360 2.463 20 30 BEEDRO C#CCC1([NH2+]CCN2CCCCC2)CCC1 ZINC000933296955 640700654 /nfs/dbraw/zinc/70/06/54/640700654.db2.gz STBYWRLMQAUVEB-UHFFFAOYSA-N 1 0 220.360 2.008 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(Cl)cn2)CCC1 ZINC000933296730 640700960 /nfs/dbraw/zinc/70/09/60/640700960.db2.gz MGSIZVXUEUMWNL-UHFFFAOYSA-N 1 0 235.718 2.166 20 30 BEEDRO C#CCC1([NH2+]Cc2cnoc2C)CCC1 ZINC000933298855 640701185 /nfs/dbraw/zinc/70/11/85/640701185.db2.gz KRZKRQYASMUKJG-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CCC1([NH2+]CCC(=O)OCCCC)CCC1 ZINC000933305076 640702889 /nfs/dbraw/zinc/70/28/89/640702889.db2.gz YQAPTNKSPMSAHV-UHFFFAOYSA-N 1 0 237.343 2.255 20 30 BEEDRO C=C(C)C[NH2+][C@](C)(CO)Cc1ccc(OC)cc1 ZINC000933424641 640715806 /nfs/dbraw/zinc/71/58/06/640715806.db2.gz QHMDZRKHHIHLIH-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C#CCCC[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC000933438498 640717879 /nfs/dbraw/zinc/71/78/79/640717879.db2.gz AFMFYVZATCQSSL-OAHLLOKOSA-N 1 0 249.329 2.122 20 30 BEEDRO C=CCC[NH2+][C@](C)(CO)Cc1ccc(F)cc1 ZINC000933440115 640717881 /nfs/dbraw/zinc/71/78/81/640717881.db2.gz YAYPJCDZOFOVCY-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO CC[C@@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646824 640737774 /nfs/dbraw/zinc/73/77/74/640737774.db2.gz PVHAXPDYGUUWIJ-LLVKDONJSA-N 1 0 223.316 2.123 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933682097 640743801 /nfs/dbraw/zinc/74/38/01/640743801.db2.gz UJXDKJJHONNSNO-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOC[C@H]1C[C@H]1CCCO1 ZINC000933682101 640744116 /nfs/dbraw/zinc/74/41/16/640744116.db2.gz UJXDKJJHONNSNO-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC000933703595 640748852 /nfs/dbraw/zinc/74/88/52/640748852.db2.gz KJSFJQGXSJGQJO-LJISPDSOSA-N 1 0 233.355 2.333 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933706323 640750476 /nfs/dbraw/zinc/75/04/76/640750476.db2.gz IGUBXWBVAUCIMW-SEBNEYGDSA-N 1 0 235.371 2.291 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000933929522 640790861 /nfs/dbraw/zinc/79/08/61/640790861.db2.gz NTHTWPVQIAWPME-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]Cc1cnn2ccccc12 ZINC000168512069 640811899 /nfs/dbraw/zinc/81/18/99/640811899.db2.gz JWQJQMWSOMGECS-UHFFFAOYSA-N 1 0 201.273 2.000 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000168721761 640822373 /nfs/dbraw/zinc/82/23/73/640822373.db2.gz RFRHFXNIZPODOK-LLVKDONJSA-N 1 0 227.254 2.164 20 30 BEEDRO CN(C)c1ccc(C[NH2+]CC(C)(C)C#N)cc1 ZINC000168930435 640833991 /nfs/dbraw/zinc/83/39/91/640833991.db2.gz ZWVWCNGYLZBMLA-UHFFFAOYSA-N 1 0 231.343 2.392 20 30 BEEDRO N#Cc1ccc(N2CCC[C@@H]2C[NH3+])cc1Cl ZINC000168992744 640835576 /nfs/dbraw/zinc/83/55/76/640835576.db2.gz NCGUMSHSZWBOBW-LLVKDONJSA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000228948477 640907948 /nfs/dbraw/zinc/90/79/48/640907948.db2.gz XBRGPLWYMFBYKG-KCPJHIHWSA-N 1 0 244.338 2.370 20 30 BEEDRO CN(C)C(=[NH2+])NCC1(c2ccc(F)cc2)CCC1 ZINC000170913331 640937813 /nfs/dbraw/zinc/93/78/13/640937813.db2.gz NOGKJSFJKPXPTI-UHFFFAOYSA-N 1 0 249.333 2.124 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000229827166 640985334 /nfs/dbraw/zinc/98/53/34/640985334.db2.gz LCXYVHSLCVKXTA-UHFFFAOYSA-N 1 0 225.295 2.133 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000229835854 640985768 /nfs/dbraw/zinc/98/57/68/640985768.db2.gz ADIBHALBOJNRGE-ZDUSSCGKSA-N 1 0 239.265 2.001 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCc2cccnc21 ZINC000229892335 640992193 /nfs/dbraw/zinc/99/21/93/640992193.db2.gz JQTHJNKRXZQNQY-VXGBXAGGSA-N 1 0 200.285 2.070 20 30 BEEDRO CCC(CC)(CO)C[NH2+]CC#Cc1ccccc1 ZINC000230258511 641044698 /nfs/dbraw/zinc/04/46/98/641044698.db2.gz ISTZTPCBLFNVSM-UHFFFAOYSA-N 1 0 245.366 2.426 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCCc2cnccc21 ZINC000934089408 641061831 /nfs/dbraw/zinc/06/18/31/641061831.db2.gz ZWUZKDVXTAHZCV-HIFRSBDPSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCc2cnccc21 ZINC000934089407 641062235 /nfs/dbraw/zinc/06/22/35/641062235.db2.gz ZWUZKDVXTAHZCV-DZGCQCFKSA-N 1 0 246.354 2.376 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000230592755 641068664 /nfs/dbraw/zinc/06/86/64/641068664.db2.gz LZYJGOQFWQDPDX-MRXNPFEDSA-N 1 0 245.366 2.425 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CC1CCC(C#N)CC1 ZINC000934108033 641071615 /nfs/dbraw/zinc/07/16/15/641071615.db2.gz YTAJUHLWKFLUOT-CLRIEMFWSA-N 1 0 236.359 2.426 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]CC#Cc1ccccc1 ZINC000230706953 641084514 /nfs/dbraw/zinc/08/45/14/641084514.db2.gz QOMXKVGWAWLUCU-HNNXBMFYSA-N 1 0 231.339 2.179 20 30 BEEDRO CC(C)(C#N)C[NH2+]Cc1cc(F)ccc1O ZINC000230687321 641086511 /nfs/dbraw/zinc/08/65/11/641086511.db2.gz OGNXJMMIKIZYHI-UHFFFAOYSA-N 1 0 222.263 2.171 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(F)c1F ZINC000230706105 641087525 /nfs/dbraw/zinc/08/75/25/641087525.db2.gz CIOSXPWSHWIPNF-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO CCCCCCCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000230732633 641089039 /nfs/dbraw/zinc/08/90/39/641089039.db2.gz SIFLHTCLTUGFIW-CYBMUJFWSA-N 1 0 226.364 2.215 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1cccnc1 ZINC000934230711 641108632 /nfs/dbraw/zinc/10/86/32/641108632.db2.gz WVDWZXVAECLBMV-GFCCVEGCSA-N 1 0 202.301 2.016 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934233587 641109942 /nfs/dbraw/zinc/10/99/42/641109942.db2.gz KFUUOOANKSQKOX-RYUDHWBXSA-N 1 0 217.316 2.294 20 30 BEEDRO CCCCCCCC[C@@H](CO)[NH2+][C@H]1CCOC1 ZINC000934251872 641113221 /nfs/dbraw/zinc/11/32/21/641113221.db2.gz SLQYEURPUYRLSY-KBPBESRZSA-N 1 0 243.391 2.476 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1c1ccc(OC)cn1 ZINC000934343007 641128944 /nfs/dbraw/zinc/12/89/44/641128944.db2.gz FUFUKXPDAAKFHB-CQSZACIVSA-N 1 0 230.311 2.250 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCOC23CCCC3)CC1 ZINC000934382012 641137235 /nfs/dbraw/zinc/13/72/35/641137235.db2.gz PQZODYGDJJWXED-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934396604 641139960 /nfs/dbraw/zinc/13/99/60/641139960.db2.gz PQKIMZIZXSWHIJ-QWHCGFSZSA-N 1 0 247.342 2.121 20 30 BEEDRO C=C(Cl)CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000063190233 641142317 /nfs/dbraw/zinc/14/23/17/641142317.db2.gz NJTRVHZMLKZLOP-RYUDHWBXSA-N 1 0 228.767 2.345 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000934463453 641151057 /nfs/dbraw/zinc/15/10/57/641151057.db2.gz WFBBOWSXQOWVQJ-SNVBAGLBSA-N 1 0 202.257 2.302 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCCc1cncn1C ZINC000934458633 641153659 /nfs/dbraw/zinc/15/36/59/641153659.db2.gz BLSVQILVAQGCTJ-GFCCVEGCSA-N 1 0 219.332 2.003 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@@](O)(CC)C(F)(F)F ZINC000934461130 641154162 /nfs/dbraw/zinc/15/41/62/641154162.db2.gz JXXFMSCJCKGPLR-ZJUUUORDSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCn1cc(Cl)cn1 ZINC000934460905 641154903 /nfs/dbraw/zinc/15/49/03/641154903.db2.gz SWDGEEGZYRVIKH-LLVKDONJSA-N 1 0 225.723 2.187 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@H]1CCO[C@@H](C)C1 ZINC000934463086 641155314 /nfs/dbraw/zinc/15/53/14/641155314.db2.gz FTESMJAYHVOIPA-RWMBFGLXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC000971101342 641156104 /nfs/dbraw/zinc/15/61/04/641156104.db2.gz KDNHSKRSTMNVKJ-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000934463742 641157739 /nfs/dbraw/zinc/15/77/39/641157739.db2.gz YQXOSJGPVDCSDQ-XQQFMLRXSA-N 1 0 207.317 2.063 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000934463153 641158894 /nfs/dbraw/zinc/15/88/94/641158894.db2.gz UFTPTJHTBMAJLO-OLZOCXBDSA-N 1 0 234.343 2.082 20 30 BEEDRO C=CC[C@H]1CCN1Cc1nnc(C2CC2)o1 ZINC000934469925 641162985 /nfs/dbraw/zinc/16/29/85/641162985.db2.gz KBZILHORHSVFEG-JTQLQIEISA-N 1 0 219.288 2.097 20 30 BEEDRO C=CC[C@H]1CCN1Cc1nc(C)c(C)o1 ZINC000934470165 641163170 /nfs/dbraw/zinc/16/31/70/641163170.db2.gz LMGJJBYTCFVCCY-NSHDSACASA-N 1 0 206.289 2.442 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)OCCCC ZINC000934470876 641163699 /nfs/dbraw/zinc/16/36/99/641163699.db2.gz GLUYDEDSZPJIAC-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[C@@H]1CCN1Cc1nnc(-c2ccco2)o1 ZINC000934472971 641166605 /nfs/dbraw/zinc/16/66/05/641166605.db2.gz VTMDSPKZUPTMOB-SNVBAGLBSA-N 1 0 245.282 2.480 20 30 BEEDRO C=CCCC[N@H+]1CCOC[C@]1(C)C1CC1 ZINC000934480127 641169659 /nfs/dbraw/zinc/16/96/59/641169659.db2.gz BTFWQILIDMLPPD-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@]1(C2CC2)COCC[N@@H+]1CCCCC#N ZINC000934481265 641170099 /nfs/dbraw/zinc/17/00/99/641170099.db2.gz QOAAMSQJNABKBU-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000932971913 641171120 /nfs/dbraw/zinc/17/11/20/641171120.db2.gz BCCLUYQUQCMPFQ-HNNXBMFYSA-N 1 0 229.323 2.149 20 30 BEEDRO CCCCCCCC(=O)N[C@@H](C)CC[NH3+] ZINC000088256063 641174008 /nfs/dbraw/zinc/17/40/08/641174008.db2.gz JATLLTMIXBFWII-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](O)c1ccc(F)cc1 ZINC000934508890 641175099 /nfs/dbraw/zinc/17/50/99/641175099.db2.gz HBPGCZGTCQISPK-GJZGRUSLSA-N 1 0 247.313 2.347 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1CCc1ccccn1 ZINC000934508746 641176477 /nfs/dbraw/zinc/17/64/77/641176477.db2.gz FSJXCEVDMBGEIW-CQSZACIVSA-N 1 0 214.312 2.112 20 30 BEEDRO CC(C)(C)[C@@H]1CCCC(N=NC(N)=[NH2+])CC1 ZINC000252664707 641177546 /nfs/dbraw/zinc/17/75/46/641177546.db2.gz JDXDHMYQYIPJGQ-SECBINFHSA-N 1 0 224.352 2.452 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCCCC(=O)OCC ZINC000934512558 641180543 /nfs/dbraw/zinc/18/05/43/641180543.db2.gz QNTKNJPIPXOIIY-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCc1csc(C)n1 ZINC000934515592 641182677 /nfs/dbraw/zinc/18/26/77/641182677.db2.gz WDXIPRXLAPVMBA-CYBMUJFWSA-N 1 0 234.368 2.482 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)N1CC[C@H](O)[C@H](F)C1 ZINC000934570324 641201838 /nfs/dbraw/zinc/20/18/38/641201838.db2.gz DNAVQQYBLRUMGI-HONMWMINSA-N 1 0 248.301 2.024 20 30 BEEDRO C=CCCC[N@@H+](CC)CCOC[C@H]1CCCO1 ZINC000934647038 641231416 /nfs/dbraw/zinc/23/14/16/641231416.db2.gz XLSKHBSTIRZADH-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCCC[N@@H+](CC)CCC(=O)NC(C)C ZINC000934645905 641233350 /nfs/dbraw/zinc/23/33/50/641233350.db2.gz KUQBPTCYXXLBHT-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC[N@@H+](CC)CCCN1CCOC1=O ZINC000934649080 641236471 /nfs/dbraw/zinc/23/64/71/641236471.db2.gz JKIKDXUFQUOREG-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO CSCC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000934665071 641240479 /nfs/dbraw/zinc/24/04/79/641240479.db2.gz WBJFXAQSKPPQLJ-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO CSCC(C)(C)[NH2+]CCCCC#N ZINC000934672700 641241407 /nfs/dbraw/zinc/24/14/07/641241407.db2.gz ARWKSNXIIJVRQP-UHFFFAOYSA-N 1 0 200.351 2.411 20 30 BEEDRO CC#CC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934693189 641248264 /nfs/dbraw/zinc/24/82/64/641248264.db2.gz RZGPQJPNZBBGPU-ZDUSSCGKSA-N 1 0 200.285 2.146 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934697547 641248487 /nfs/dbraw/zinc/24/84/87/641248487.db2.gz HVJAEJFNFMFRFQ-SMDDNHRTSA-N 1 0 245.326 2.051 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934696017 641248908 /nfs/dbraw/zinc/24/89/08/641248908.db2.gz QKVUPJVFUWDMTD-CYBMUJFWSA-N 1 0 200.285 2.146 20 30 BEEDRO C=Cn1cc(C[NH2+]Cc2ccc(C#N)cc2)cn1 ZINC000232571299 641301336 /nfs/dbraw/zinc/30/13/36/641301336.db2.gz PLBYRDKZESYLRY-UHFFFAOYSA-N 1 0 238.294 2.145 20 30 BEEDRO C=CCCCCC[NH2+]C1CCS(=O)CC1 ZINC000232574318 641302847 /nfs/dbraw/zinc/30/28/47/641302847.db2.gz HUPZPSSSGFERPN-UHFFFAOYSA-N 1 0 229.389 2.234 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(OC)c1OC ZINC000174613275 641311024 /nfs/dbraw/zinc/31/10/24/641311024.db2.gz PJBGARACDGQRIE-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000929463614 641326632 /nfs/dbraw/zinc/32/66/32/641326632.db2.gz XZXXLQGAJBADAV-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CCN(CC)c1ccc(C=[NH+]NC2CC2)c(O)c1 ZINC000758128521 641385577 /nfs/dbraw/zinc/38/55/77/641385577.db2.gz ZLDYBRIJSQCLDX-UHFFFAOYSA-N 1 0 247.342 2.324 20 30 BEEDRO C[C@@H](O)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929707103 641409970 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C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922160908 643882890 /nfs/dbraw/zinc/88/28/90/643882890.db2.gz ZVBJDKWQYVSURX-KGLIPLIRSA-N 1 0 247.342 2.041 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)O1 ZINC000922170198 643889638 /nfs/dbraw/zinc/88/96/38/643889638.db2.gz ALORQYGDQBWHDE-GXSJLCMTSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CC23CC3)cs1 ZINC000922197365 643899637 /nfs/dbraw/zinc/89/96/37/643899637.db2.gz GYWHCKUIRZGZPD-JTQLQIEISA-N 1 0 204.298 2.262 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cs1 ZINC000922217008 643906295 /nfs/dbraw/zinc/90/62/95/643906295.db2.gz BWXVOJSIRKHFMF-JLLWLGSASA-N 1 0 234.324 2.029 20 30 BEEDRO COCC1(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000922224564 643908451 /nfs/dbraw/zinc/90/84/51/643908451.db2.gz JSAWWZCNLQKEKN-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2OCCCO2)C1 ZINC000922280248 643947295 /nfs/dbraw/zinc/94/72/95/643947295.db2.gz ZHTSXBPFGUNKRM-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000922294674 643960209 /nfs/dbraw/zinc/96/02/09/643960209.db2.gz SQJVNYCTGQSINT-OKILXGFUSA-N 1 0 244.338 2.036 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)[C@@H](C)O1 ZINC000922304884 643961090 /nfs/dbraw/zinc/96/10/90/643961090.db2.gz MULFSQKEDRHSOM-KBVBSXBZSA-N 1 0 236.340 2.275 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnn(CCF)c2)CC1 ZINC000922329764 643971437 /nfs/dbraw/zinc/97/14/37/643971437.db2.gz LVIKDJLDXHXIIK-MQMHXKEQSA-N 1 0 249.333 2.134 20 30 BEEDRO Cc1cc(CC[NH2+]CC(C)(C)CCC#N)nn1C ZINC000922687475 644066673 /nfs/dbraw/zinc/06/66/73/644066673.db2.gz CHWNLGJCGINXKN-UHFFFAOYSA-N 1 0 248.374 2.191 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cncnc2OC)CC1 ZINC000922709643 644073130 /nfs/dbraw/zinc/07/31/30/644073130.db2.gz CMXRROLMWITNTI-UHFFFAOYSA-N 1 0 247.342 2.321 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CSC(C)(C)C ZINC000186697174 644137443 /nfs/dbraw/zinc/13/74/43/644137443.db2.gz YWEWKZVKDMMNGN-WDEREUQCSA-N 1 0 231.405 2.433 20 30 BEEDRO C#CCC1([NH2+]Cc2ncc[nH]2)CCCCC1 ZINC000922982613 644210137 /nfs/dbraw/zinc/21/01/37/644210137.db2.gz BUXDJDABDZHREA-UHFFFAOYSA-N 1 0 217.316 2.226 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCO[C@H](C)C2)CCC1 ZINC000922997506 644221824 /nfs/dbraw/zinc/22/18/24/644221824.db2.gz JLKCMOXYEZBZFX-CHWSQXEVSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnn2C(C)C)CCC1 ZINC000922997551 644222258 /nfs/dbraw/zinc/22/22/58/644222258.db2.gz KHRJOEJVITTYMD-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C#CCC1([NH2+]Cc2ccn(C)c2)CCC1 ZINC000922998141 644222342 /nfs/dbraw/zinc/22/23/42/644222342.db2.gz QHHDPUKZOSNHGA-UHFFFAOYSA-N 1 0 202.301 2.061 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923003081 644226189 /nfs/dbraw/zinc/22/61/89/644226189.db2.gz UVOXEDNLAUTIAM-HDJSIYSDSA-N 1 0 244.338 2.036 20 30 BEEDRO CC(C)C(CNC(=[NH2+])N(C)C1CC1)C(C)C ZINC000193861540 644284072 /nfs/dbraw/zinc/28/40/72/644284072.db2.gz QSQAGNMWIODUAO-UHFFFAOYSA-N 1 0 225.380 2.324 20 30 BEEDRO CCCCCCCCC[N@H+](C)CC(=O)NC ZINC000193956530 644290793 /nfs/dbraw/zinc/29/07/93/644290793.db2.gz BWPGMJYMNNDUQO-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO CCCCO[C@@H]1CC(=[NH+]n2cnnc2)C1(C)C ZINC000747623401 644585536 /nfs/dbraw/zinc/58/55/36/644585536.db2.gz BDYAWWYZEHQQDH-LLVKDONJSA-N 1 0 236.319 2.097 20 30 BEEDRO C#CCCC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000766978700 644672570 /nfs/dbraw/zinc/67/25/70/644672570.db2.gz SGZXQRIABKXKIH-DZGCQCFKSA-N 1 0 231.339 2.154 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000093212204 644682600 /nfs/dbraw/zinc/68/26/00/644682600.db2.gz XHLMXJQICYBDEF-CQDKDKBSSA-N 1 0 243.354 2.479 20 30 BEEDRO C=C(Cl)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000250524856 644761488 /nfs/dbraw/zinc/76/14/88/644761488.db2.gz OLCONYXGDURGFA-NWDGAFQWSA-N 1 0 228.767 2.203 20 30 BEEDRO CNC(=[NH2+])NCCC12CC3CC(CC(C3)C1)C2 ZINC000303361044 644818712 /nfs/dbraw/zinc/81/87/12/644818712.db2.gz CGFLVYPCPFBHCD-UHFFFAOYSA-N 1 0 235.375 2.127 20 30 BEEDRO CNC(NCCCCCc1ccccc1)=[NH+]C ZINC000303399702 644820432 /nfs/dbraw/zinc/82/04/32/644820432.db2.gz KIKMGJUPYQVDDY-UHFFFAOYSA-N 1 0 233.359 2.194 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NCCCOC)cc1 ZINC000303708017 644838946 /nfs/dbraw/zinc/83/89/46/644838946.db2.gz MRTVFVIUKIPQSX-UHFFFAOYSA-N 1 0 235.331 2.012 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000801923737 644845470 /nfs/dbraw/zinc/84/54/70/644845470.db2.gz CJYHOINGSJUGTH-NWDGAFQWSA-N 1 0 230.311 2.492 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cccc(F)c2)C1 ZINC000303791202 644846222 /nfs/dbraw/zinc/84/62/22/644846222.db2.gz XEHAQCSFHWXFSH-NSHDSACASA-N 1 0 249.333 2.372 20 30 BEEDRO CC(C)NC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000303780239 644846230 /nfs/dbraw/zinc/84/62/30/644846230.db2.gz LFECAHGMGRNNNZ-UHFFFAOYSA-N 1 0 249.358 2.287 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCC2CC2)c1 ZINC000303783865 644846366 /nfs/dbraw/zinc/84/63/66/644846366.db2.gz OOQWBYPAJFSZAT-UHFFFAOYSA-N 1 0 217.316 2.440 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000801926411 644847202 /nfs/dbraw/zinc/84/72/02/644847202.db2.gz PZBKXGIRFCEVND-UKRRQHHQSA-N 1 0 244.338 2.232 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(C(C)(C)C)cc1 ZINC000252446889 644849644 /nfs/dbraw/zinc/84/96/44/644849644.db2.gz CMZFJXAMQZXFHY-UHFFFAOYSA-N 1 0 232.331 2.191 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(C(C)C)cc1 ZINC000252447438 644850000 /nfs/dbraw/zinc/85/00/00/644850000.db2.gz KPEJLVIACHZJFA-UHFFFAOYSA-N 1 0 218.304 2.017 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCCC[C@@H]1C ZINC000303868720 644850716 /nfs/dbraw/zinc/85/07/16/644850716.db2.gz DLNUDRQNUSEWGP-RYUDHWBXSA-N 1 0 225.380 2.469 20 30 BEEDRO CCc1c2ccccc2oc1C(C)=NNC(N)=[NH2+] ZINC000252447493 644850726 /nfs/dbraw/zinc/85/07/26/644850726.db2.gz LFWFMMXWZNLLMG-UHFFFAOYSA-N 1 0 244.298 2.202 20 30 BEEDRO CC(C)CCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303878940 644853328 /nfs/dbraw/zinc/85/33/28/644853328.db2.gz GFGIZROPUJCGPL-LBPRGKRZSA-N 1 0 225.380 2.469 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(SC)cc1 ZINC000303898708 644855731 /nfs/dbraw/zinc/85/57/31/644855731.db2.gz VQNAJZAUPVRMBR-UHFFFAOYSA-N 1 0 237.372 2.223 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccsc2)C1 ZINC000303897662 644856645 /nfs/dbraw/zinc/85/66/45/644856645.db2.gz QTLWDGFHZIDOFI-JTQLQIEISA-N 1 0 237.372 2.295 20 30 BEEDRO CC[C@@H]([NH2+]CCO[C@@H](C)C#N)c1nccs1 ZINC000304234692 644878471 /nfs/dbraw/zinc/87/84/71/644878471.db2.gz LVHTXVHXTRILIY-VHSXEESVSA-N 1 0 239.344 2.112 20 30 BEEDRO CC[C@@H]1CCC[N@H+](CCO[C@H](C)C#N)CC1 ZINC000304233428 644879003 /nfs/dbraw/zinc/87/90/03/644879003.db2.gz LMIPLWQXYSDOAH-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H]([NH2+]CCO[C@H](C)C#N)c1nccs1 ZINC000304234693 644879367 /nfs/dbraw/zinc/87/93/67/644879367.db2.gz LVHTXVHXTRILIY-ZJUUUORDSA-N 1 0 239.344 2.112 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000304241440 644879921 /nfs/dbraw/zinc/87/99/21/644879921.db2.gz NUZFOGIWJQXEHT-VOAKCMCISA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)CCc1cccs1 ZINC000304268837 644884453 /nfs/dbraw/zinc/88/44/53/644884453.db2.gz VHNBLPZSOJCABR-NSHDSACASA-N 1 0 238.356 2.151 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC(C)(C)CC1 ZINC000304276126 644884642 /nfs/dbraw/zinc/88/46/42/644884642.db2.gz WLBGRFAAQMXSBS-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C#Cc1ccc(C[N@H+](CC)CCOC)cc1 ZINC000809544326 644889108 /nfs/dbraw/zinc/88/91/08/644889108.db2.gz GFXDTTDCZYXRLC-UHFFFAOYSA-N 1 0 217.312 2.136 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000252867446 644917781 /nfs/dbraw/zinc/91/77/81/644917781.db2.gz RQGSRKJVWDHSGG-IJLUTSLNSA-N 1 0 236.359 2.329 20 30 BEEDRO CC(C)(C)C1CCC(CN=NC(N)=[NH2+])CC1 ZINC000252879669 644919830 /nfs/dbraw/zinc/91/98/30/644919830.db2.gz XXCVEIHPJBBAHT-UHFFFAOYSA-N 1 0 224.352 2.308 20 30 BEEDRO C=C(Cl)COc1ccc2c(c1)OCC[NH2+]C2 ZINC000304609213 644921214 /nfs/dbraw/zinc/92/12/14/644921214.db2.gz RKKMCEMQMYIZMC-UHFFFAOYSA-N 1 0 239.702 2.300 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NCCC(C)C)cc1 ZINC000304749115 644929185 /nfs/dbraw/zinc/92/91/85/644929185.db2.gz HNHSOXRVGBHKKQ-UHFFFAOYSA-N 1 0 247.386 2.488 20 30 BEEDRO CCCNC(=[NH2+])NCCOC1CCCCCC1 ZINC000304757954 644930773 /nfs/dbraw/zinc/93/07/73/644930773.db2.gz PKUMTYUCGRGTSH-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCC1CC1 ZINC000304757001 644930781 /nfs/dbraw/zinc/93/07/81/644930781.db2.gz OIXVUIDNGZIYFE-UHFFFAOYSA-N 1 0 211.353 2.271 20 30 BEEDRO Cc1cc(C)cc(CCNC(=[NH2+])NCC(C)C)c1 ZINC000304760632 644931490 /nfs/dbraw/zinc/93/14/90/644931490.db2.gz SRICWENQTHSYRW-UHFFFAOYSA-N 1 0 247.386 2.406 20 30 BEEDRO Cc1ccccc1O[C@H](C)CNC(=[NH2+])NC(C)C ZINC000304771889 644932322 /nfs/dbraw/zinc/93/23/22/644932322.db2.gz AITFBIBLJVIFLZ-GFCCVEGCSA-N 1 0 249.358 2.075 20 30 BEEDRO CCO[C@@H](CCNC(=[NH2+])NC(C)(C)C)C(C)C ZINC000304810176 644934668 /nfs/dbraw/zinc/93/46/68/644934668.db2.gz WDNISNYNOIPULX-NSHDSACASA-N 1 0 243.395 2.140 20 30 BEEDRO Cc1cccc([C@@H](C)CNC(=[NH2+])NC(C)C)c1 ZINC000304814208 644935086 /nfs/dbraw/zinc/93/50/86/644935086.db2.gz ZLKMMGGXEZCGRU-LBPRGKRZSA-N 1 0 233.359 2.411 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1(CC)CCC1 ZINC000304848672 644937564 /nfs/dbraw/zinc/93/75/64/644937564.db2.gz PLYNGBZOYVWKSW-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C1([NH+](C)C)CCC1 ZINC000817457288 644983381 /nfs/dbraw/zinc/98/33/81/644983381.db2.gz PLDJXRLSRNCVLL-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CNCCO1 ZINC000817984179 644994612 /nfs/dbraw/zinc/99/46/12/644994612.db2.gz VTLHVIDRXXSGSW-KGLIPLIRSA-N 1 0 240.391 2.089 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000819115701 645005115 /nfs/dbraw/zinc/00/51/15/645005115.db2.gz HNZLBPUQGGMTAB-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819115665 645005374 /nfs/dbraw/zinc/00/53/74/645005374.db2.gz GRJNHYVKRPNFKU-CQSZACIVSA-N 1 0 217.312 2.031 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000823881615 645051322 /nfs/dbraw/zinc/05/13/22/645051322.db2.gz AJGIOMFOBSGJJW-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(C)n1C)C1CCCCC1 ZINC000824632398 645056779 /nfs/dbraw/zinc/05/67/79/645056779.db2.gz HOLRAEHZLOKIRL-UHFFFAOYSA-N 1 0 245.370 2.496 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](Cc2ccccc2O)C1 ZINC000827651052 645083540 /nfs/dbraw/zinc/08/35/40/645083540.db2.gz YZBFQZMWYHOAKD-ZDUSSCGKSA-N 1 0 216.284 2.128 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000829803697 645110224 /nfs/dbraw/zinc/11/02/24/645110224.db2.gz APXQMUSCQBTQSX-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000829809501 645110801 /nfs/dbraw/zinc/11/08/01/645110801.db2.gz CDRHCAOBYQCQFB-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000830345466 645120867 /nfs/dbraw/zinc/12/08/67/645120867.db2.gz DTQXNNLQFZVZFF-UHFFFAOYSA-N 1 0 229.323 2.024 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000841864749 645235413 /nfs/dbraw/zinc/23/54/13/645235413.db2.gz RTULJFBYBFJBIG-NWDGAFQWSA-N 1 0 243.395 2.382 20 30 BEEDRO CCCCCCCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000841864750 645235556 /nfs/dbraw/zinc/23/55/56/645235556.db2.gz RTULJFBYBFJBIG-RYUDHWBXSA-N 1 0 243.395 2.382 20 30 BEEDRO CCCCCCCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000841864534 645235891 /nfs/dbraw/zinc/23/58/91/645235891.db2.gz OJESQTOTUMJYET-GFCCVEGCSA-N 1 0 241.379 2.090 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)(C)CO ZINC000926513904 645247492 /nfs/dbraw/zinc/24/74/92/645247492.db2.gz RRFJFPXJIKXVTN-WOPDTQHZSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926523557 645252571 /nfs/dbraw/zinc/25/25/71/645252571.db2.gz ZPAFDKVFIMEPPL-VHSXEESVSA-N 1 0 220.320 2.086 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926522718 645253484 /nfs/dbraw/zinc/25/34/84/645253484.db2.gz YPPNRAOMCNWKOL-LLVKDONJSA-N 1 0 222.336 2.476 20 30 BEEDRO C[C@@H](C[C@@H](O)c1ccccc1)[NH2+]CCC#N ZINC000843093552 645265070 /nfs/dbraw/zinc/26/50/70/645265070.db2.gz RFGISBVPLDAJHI-WCQYABFASA-N 1 0 218.300 2.002 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cc(OC)no1 ZINC000926551201 645273567 /nfs/dbraw/zinc/27/35/67/645273567.db2.gz PXFZFAOCRXXJJF-SECBINFHSA-N 1 0 210.277 2.300 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)c1 ZINC000926551423 645274084 /nfs/dbraw/zinc/27/40/84/645274084.db2.gz SUIYRAYDECURBJ-VIKVFOODSA-N 1 0 243.350 2.429 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000843422057 645287873 /nfs/dbraw/zinc/28/78/73/645287873.db2.gz BLPWNDVLCFUJGM-OLZOCXBDSA-N 1 0 223.385 2.475 20 30 BEEDRO COc1ccnc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000926616522 645316283 /nfs/dbraw/zinc/31/62/83/645316283.db2.gz SMRXZZZXKUYMFZ-GRYCIOLGSA-N 1 0 245.326 2.433 20 30 BEEDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617629 645318776 /nfs/dbraw/zinc/31/87/76/645318776.db2.gz YYFJWPKYFDVVSR-CRWXNKLISA-N 1 0 236.359 2.329 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000926627382 645320229 /nfs/dbraw/zinc/32/02/29/645320229.db2.gz NVDHBLUMVOHYPU-ZIAGYGMSSA-N 1 0 247.386 2.287 20 30 BEEDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000926623169 645320789 /nfs/dbraw/zinc/32/07/89/645320789.db2.gz BTMLBLZGBRTURF-QWHCGFSZSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)C(C)(C)CO ZINC000926684596 645354590 /nfs/dbraw/zinc/35/45/90/645354590.db2.gz GPGLLSXDWSLPCM-LLVKDONJSA-N 1 0 231.405 2.292 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CN3C[C@@H]2CCC3)CCCCC1 ZINC000926710794 645376056 /nfs/dbraw/zinc/37/60/56/645376056.db2.gz CMPGBRBBGZGHPO-KBPBESRZSA-N 1 0 247.386 2.144 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000926715854 645379001 /nfs/dbraw/zinc/37/90/01/645379001.db2.gz VQGXACSYGVJUTO-WOPDTQHZSA-N 1 0 236.359 2.208 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000847017852 645416566 /nfs/dbraw/zinc/41/65/66/645416566.db2.gz FGZXAVGFUCPHGO-HSBZDZAISA-N 1 0 221.344 2.288 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926781813 645427601 /nfs/dbraw/zinc/42/76/01/645427601.db2.gz UHNREASRNZVAFT-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCNC(=[NH2+])NCCc1cccs1 ZINC000849023772 645447632 /nfs/dbraw/zinc/44/76/32/645447632.db2.gz DWZOSTNOQNJLDS-UHFFFAOYSA-N 1 0 237.372 2.371 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cn(C)cn2)CC1 ZINC000926838317 645449072 /nfs/dbraw/zinc/44/90/72/645449072.db2.gz CFNKEXIUKDLDII-JHJVBQTASA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2nonc2C)CC1 ZINC000926839981 645449564 /nfs/dbraw/zinc/44/95/64/645449564.db2.gz OVTZRKKRVMPTSR-DLOVCJGASA-N 1 0 233.315 2.221 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000926887371 645472618 /nfs/dbraw/zinc/47/26/18/645472618.db2.gz LBDJMPCLOHIRAO-UHTWSYAYSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1cc(C)n(C)n1 ZINC000926912970 645485557 /nfs/dbraw/zinc/48/55/57/645485557.db2.gz ZULXNVWRPLXUFC-LLVKDONJSA-N 1 0 221.348 2.215 20 30 BEEDRO C=C(Cl)CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000852749327 645486915 /nfs/dbraw/zinc/48/69/15/645486915.db2.gz KOKHFCOKECRXMR-NWDGAFQWSA-N 1 0 228.767 2.203 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cc(C)n(C)n1 ZINC000926916696 645488863 /nfs/dbraw/zinc/48/88/63/645488863.db2.gz ZALRMTLQKDLZJM-AAEUAGOBSA-N 1 0 235.375 2.461 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H](C)c2cnnn2C)CC1 ZINC000926926417 645489935 /nfs/dbraw/zinc/48/99/35/645489935.db2.gz XHDAYOJVIQAQGD-NSHDSACASA-N 1 0 234.347 2.212 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000926938581 645491293 /nfs/dbraw/zinc/49/12/93/645491293.db2.gz VUXODBOWJDCILZ-SEBNEYGDSA-N 1 0 246.354 2.249 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000926938579 645492145 /nfs/dbraw/zinc/49/21/45/645492145.db2.gz VUXODBOWJDCILZ-KHMAMNHCSA-N 1 0 246.354 2.249 20 30 BEEDRO Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1C#N ZINC000926967365 645501292 /nfs/dbraw/zinc/50/12/92/645501292.db2.gz RLQRINKWQGTOMA-UHFFFAOYSA-N 1 0 244.338 2.260 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000927002760 645509732 /nfs/dbraw/zinc/50/97/32/645509732.db2.gz ZMYGKWOEODWLKZ-NSHDSACASA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000927005838 645510435 /nfs/dbraw/zinc/51/04/35/645510435.db2.gz QKMFTHGRKUTAGI-RYUDHWBXSA-N 1 0 239.359 2.330 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC000930244877 645522992 /nfs/dbraw/zinc/52/29/92/645522992.db2.gz PMZZTPOFUWBCOM-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO Cn1nc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1C1CC1 ZINC000927107908 645551819 /nfs/dbraw/zinc/55/18/19/645551819.db2.gz NFDSZBVWVPETAW-JQWIXIFHSA-N 1 0 244.342 2.079 20 30 BEEDRO Cn1nc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1C1CC1 ZINC000927107907 645552246 /nfs/dbraw/zinc/55/22/46/645552246.db2.gz NFDSZBVWVPETAW-CMPLNLGQSA-N 1 0 244.342 2.079 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C#N)cc1F ZINC000927148561 645572754 /nfs/dbraw/zinc/57/27/54/645572754.db2.gz SGOOQSDNKMAPFR-YUSALJHKSA-N 1 0 248.301 2.119 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000034673863 645636923 /nfs/dbraw/zinc/63/69/23/645636923.db2.gz GNPUDNWUFIQCKJ-WFASDCNBSA-N 1 0 244.338 2.466 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000862447251 645695903 /nfs/dbraw/zinc/69/59/03/645695903.db2.gz KLFDQAIWDNFOON-GFCCVEGCSA-N 1 0 243.354 2.143 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000862447539 645696488 /nfs/dbraw/zinc/69/64/88/645696488.db2.gz NTELIIFJVHVGLV-LLVKDONJSA-N 1 0 209.358 2.227 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000862446792 645696669 /nfs/dbraw/zinc/69/66/69/645696669.db2.gz DXNYUOJIZCHYSC-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000862447252 645696751 /nfs/dbraw/zinc/69/67/51/645696751.db2.gz KLFDQAIWDNFOON-LBPRGKRZSA-N 1 0 243.354 2.143 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000862447508 645696971 /nfs/dbraw/zinc/69/69/71/645696971.db2.gz NGUHRMXGVVDNAU-VXGBXAGGSA-N 1 0 209.358 2.085 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CO[C@@H](CC)C2)CC1 ZINC000872139046 645765218 /nfs/dbraw/zinc/76/52/18/645765218.db2.gz DMCJNKJXSYANDG-SYQHCUMBSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CO[C@H](CC)C2)CC1 ZINC000872139045 645765325 /nfs/dbraw/zinc/76/53/25/645765325.db2.gz DMCJNKJXSYANDG-AAVRWANBSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000877048995 645788488 /nfs/dbraw/zinc/78/84/88/645788488.db2.gz RCELKWPZDUFUAX-NWDGAFQWSA-N 1 0 229.389 2.004 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000877048997 645788894 /nfs/dbraw/zinc/78/88/94/645788894.db2.gz RCELKWPZDUFUAX-VXGBXAGGSA-N 1 0 229.389 2.004 20 30 BEEDRO CC(C)C1(C[NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000877458934 645796404 /nfs/dbraw/zinc/79/64/04/645796404.db2.gz DBMPDWVWQODUOG-UHFFFAOYSA-N 1 0 229.327 2.479 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(C#N)cn1)OC ZINC000877459852 645797335 /nfs/dbraw/zinc/79/73/35/645797335.db2.gz NOYGWISONSLWKD-RISCZKNCSA-N 1 0 247.342 2.104 20 30 BEEDRO C#CCCCCCC[NH2+]C(C)(C)C(=O)NCC ZINC000877578827 645800064 /nfs/dbraw/zinc/80/00/64/645800064.db2.gz JLQLSZWHXSPEBG-UHFFFAOYSA-N 1 0 238.375 2.074 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(OC)cnc2F)C1 ZINC000877649945 645805069 /nfs/dbraw/zinc/80/50/69/645805069.db2.gz BGCUMMDOKJYPAN-NSHDSACASA-N 1 0 248.301 2.075 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2(COC)CCC2)C1 ZINC000877650543 645806182 /nfs/dbraw/zinc/80/61/82/645806182.db2.gz KJZBVRLKPVCQEA-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(CCC)nn2)C1 ZINC000877650324 645806529 /nfs/dbraw/zinc/80/65/29/645806529.db2.gz QCSBHWZRYPFFNC-GFCCVEGCSA-N 1 0 234.347 2.086 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2cccs2)CC1 ZINC000880480685 645832495 /nfs/dbraw/zinc/83/24/95/645832495.db2.gz BPERQHRKTOTTMA-UHFFFAOYSA-N 1 0 235.352 2.098 20 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C=C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000925258403 646222727 /nfs/dbraw/zinc/22/27/27/646222727.db2.gz VORTVNIDRMQVTN-NXEZZACHSA-N 1 0 206.289 2.315 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925258404 646222982 /nfs/dbraw/zinc/22/29/82/646222982.db2.gz VORTVNIDRMQVTN-UWVGGRQHSA-N 1 0 206.289 2.315 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000925256934 646223252 /nfs/dbraw/zinc/22/32/52/646223252.db2.gz NQBABPOQAUQGQX-VXGBXAGGSA-N 1 0 242.326 2.492 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC[C@H](C)O ZINC000929716263 646268572 /nfs/dbraw/zinc/26/85/72/646268572.db2.gz OSDCMSQBNOEIHR-ZDUSSCGKSA-N 1 0 246.354 2.378 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000929714872 646270060 /nfs/dbraw/zinc/27/00/60/646270060.db2.gz FBLUTAHHIYRDND-PNESKVBLSA-N 1 0 224.348 2.019 20 30 BEEDRO C#CC[N@@H+](CC#CC)CC1CCC(C#N)CC1 ZINC000929719872 646272158 /nfs/dbraw/zinc/27/21/58/646272158.db2.gz IZCYAWJNWJOHOM-UHFFFAOYSA-N 1 0 228.339 2.275 20 30 BEEDRO C=C(Cl)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925436663 646281432 /nfs/dbraw/zinc/28/14/32/646281432.db2.gz FZTLABFDOLSHRZ-WHXUTIOJSA-N 1 0 215.724 2.286 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925435854 646281470 /nfs/dbraw/zinc/28/14/70/646281470.db2.gz BRZPIOWSQKWISS-GHMZBOCLSA-N 1 0 217.740 2.390 20 30 BEEDRO C=C(Cl)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925436662 646281989 /nfs/dbraw/zinc/28/19/89/646281989.db2.gz FZTLABFDOLSHRZ-KPPDAEKUSA-N 1 0 215.724 2.286 20 30 BEEDRO Cc1n[nH]cc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925461041 646288120 /nfs/dbraw/zinc/28/81/20/646288120.db2.gz OKBBJXCOJJTUMH-SECBINFHSA-N 1 0 220.320 2.136 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929788123 646303615 /nfs/dbraw/zinc/30/36/15/646303615.db2.gz PDJROGKETYAJTF-UWVGGRQHSA-N 1 0 235.249 2.051 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000929786476 646314862 /nfs/dbraw/zinc/31/48/62/646314862.db2.gz FBKYJYLQBKDMOL-OAHLLOKOSA-N 1 0 244.338 2.132 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929789706 646316992 /nfs/dbraw/zinc/31/69/92/646316992.db2.gz XXOISNWPJQTFFV-WDEREUQCSA-N 1 0 249.276 2.442 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000925532807 646320469 /nfs/dbraw/zinc/32/04/69/646320469.db2.gz VAFQQWCELUSTSR-ZDUSSCGKSA-N 1 0 234.343 2.195 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925544199 646324468 /nfs/dbraw/zinc/32/44/68/646324468.db2.gz ZKGZBFIRTJDXGS-ZYHUDNBSSA-N 1 0 246.358 2.185 20 30 BEEDRO CN(CCC#N)CCSc1ccncc1 ZINC000929810056 646330637 /nfs/dbraw/zinc/33/06/37/646330637.db2.gz WLXMRKXJEWDEJQ-UHFFFAOYSA-N 1 0 221.329 2.019 20 30 BEEDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)CC#N ZINC000929813287 646333069 /nfs/dbraw/zinc/33/30/69/646333069.db2.gz QKIQLPADAOJWMP-NWANDNLSSA-N 1 0 244.338 2.139 20 30 BEEDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929851720 646352274 /nfs/dbraw/zinc/35/22/74/646352274.db2.gz AHALZWIYKXYJTN-XQQFMLRXSA-N 1 0 224.348 2.162 20 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2.211 20 30 BEEDRO C[C@H]1C[C@H](O)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930126346 646450269 /nfs/dbraw/zinc/45/02/69/646450269.db2.gz RRNXDROKUOPQAQ-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925772342 646473488 /nfs/dbraw/zinc/47/34/88/646473488.db2.gz RHSMWAYNUNFRCM-UGFHNGPFSA-N 1 0 246.354 2.048 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](CC2CCC(C#N)CC2)CCN1C ZINC000930178194 646478931 /nfs/dbraw/zinc/47/89/31/646478931.db2.gz UYHXPCYZRPFZIM-LMRVLLHPSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CC1CCC(C#N)CC1 ZINC000930178195 646480424 /nfs/dbraw/zinc/48/04/24/646480424.db2.gz UYHXPCYZRPFZIM-ZUJMUWTESA-N 1 0 249.402 2.341 20 30 BEEDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CC#N)cc1 ZINC000930187385 646484621 /nfs/dbraw/zinc/48/46/21/646484621.db2.gz GIAQWJQBCXKWRY-WCQYABFASA-N 1 0 248.326 2.010 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1C(C)(C)C ZINC000925979077 646551669 /nfs/dbraw/zinc/55/16/69/646551669.db2.gz IRUYATGCGSONCZ-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926113745 646576432 /nfs/dbraw/zinc/57/64/32/646576432.db2.gz AGNATQVPAVYTLP-SNVBAGLBSA-N 1 0 239.290 2.385 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000926131090 646581228 /nfs/dbraw/zinc/58/12/28/646581228.db2.gz AJOMOMNRKHCAEI-ZDUSSCGKSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000926152362 646583763 /nfs/dbraw/zinc/58/37/63/646583763.db2.gz HFGLJOINVSQQRW-QWRGUYRKSA-N 1 0 249.310 2.003 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926152174 646584547 /nfs/dbraw/zinc/58/45/47/646584547.db2.gz FJSPGIHENKVWCG-NWDGAFQWSA-N 1 0 249.358 2.196 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926155663 646585960 /nfs/dbraw/zinc/58/59/60/646585960.db2.gz YMURCMNFTISNJW-BXKDBHETSA-N 1 0 239.290 2.119 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@H]1CCCO1 ZINC000926212794 646594848 /nfs/dbraw/zinc/59/48/48/646594848.db2.gz ZTBBRMYBCWGAJI-FRRDWIJNSA-N 1 0 234.343 2.085 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)[C@H]1CCCO1 ZINC000926212369 646596106 /nfs/dbraw/zinc/59/61/06/646596106.db2.gz XFTMQUWDKCVOFA-AIEDFZFUSA-N 1 0 231.339 2.112 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2)[C@H]1CCCO1 ZINC000926212370 646596198 /nfs/dbraw/zinc/59/61/98/646596198.db2.gz XFTMQUWDKCVOFA-XPABHHOTSA-N 1 0 231.339 2.112 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@H]1CCO ZINC000926230014 646600150 /nfs/dbraw/zinc/60/01/50/646600150.db2.gz XTAHGGSSTCLJPK-AGIUHOORSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926341658 646620189 /nfs/dbraw/zinc/62/01/89/646620189.db2.gz GCFJQKKZNWSFBY-OBJOEFQTSA-N 1 0 249.358 2.052 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+]CC3(CC#N)CC3)C2)CO1 ZINC000926342687 646620242 /nfs/dbraw/zinc/62/02/42/646620242.db2.gz BESCGOAQTXYGML-LKSINWNRSA-N 1 0 234.343 2.227 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926344240 646622054 /nfs/dbraw/zinc/62/20/54/646622054.db2.gz JPBAUFFDTUNFBY-KGLIPLIRSA-N 1 0 247.386 2.287 20 30 BEEDRO Cc1nonc1[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000926427064 646636479 /nfs/dbraw/zinc/63/64/79/646636479.db2.gz UZBSGWKUJQMRTD-VIFPVBQESA-N 1 0 236.319 2.359 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCO[C@@H]1C ZINC000926475564 646653560 /nfs/dbraw/zinc/65/35/60/646653560.db2.gz YHFJQWCSNCXVEX-HBNTYKKESA-N 1 0 210.321 2.082 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926481251 646654663 /nfs/dbraw/zinc/65/46/63/646654663.db2.gz ITNJHAHGJYFRCF-SNVBAGLBSA-N 1 0 222.336 2.068 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(OC)no1 ZINC000926521897 646659672 /nfs/dbraw/zinc/65/96/72/646659672.db2.gz UQTBSOBSDYGJAE-VIFPVBQESA-N 1 0 210.277 2.300 20 30 BEEDRO C=CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723969490 711549161 /nfs/dbraw/zinc/54/91/61/711549161.db2.gz QYIGZEZVGJFMSY-CHWSQXEVSA-N 1 0 209.333 2.357 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724255976 711572345 /nfs/dbraw/zinc/57/23/45/711572345.db2.gz KBHUZMOWUDTURE-ITGUQSILSA-N 1 0 209.333 2.336 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721597291 711656762 /nfs/dbraw/zinc/65/67/62/711656762.db2.gz JZNMFQSRVNZIHT-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H](CCO)C1CCCC1 ZINC000725114199 711652199 /nfs/dbraw/zinc/65/21/99/711652199.db2.gz KCRBYMJJLXGINO-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C[N@H+](Cc1cncc(C#N)c1)C(C)(C)C ZINC000721608380 711670524 /nfs/dbraw/zinc/67/05/24/711670524.db2.gz ZSCAZMVGTYAMEH-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(OC)CCSC1 ZINC000719267837 711669870 /nfs/dbraw/zinc/66/98/70/711669870.db2.gz NBBBZJNZCKWUIJ-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@H]1C ZINC000721614893 711670890 /nfs/dbraw/zinc/67/08/90/711670890.db2.gz NJIJZNRCXRXDTM-PHIMTYICSA-N 1 0 215.300 2.041 20 30 BEEDRO C=C(C[NH2+][C@H](C)COC(C)=O)c1ccccc1 ZINC000892713157 711686193 /nfs/dbraw/zinc/68/61/93/711686193.db2.gz XTWURMCRPCCLSU-GFCCVEGCSA-N 1 0 233.311 2.241 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723628631 711730012 /nfs/dbraw/zinc/73/00/12/711730012.db2.gz KCZCFZIUFBIPLM-RWMBFGLXSA-N 1 0 209.333 2.357 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC1CCOCC1 ZINC000384194686 711828364 /nfs/dbraw/zinc/82/83/64/711828364.db2.gz XKAZDFVLKMDFRQ-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(Cl)CN(C)CC[C@@H]([NH3+])C(C)C ZINC000227737398 711832766 /nfs/dbraw/zinc/83/27/66/711832766.db2.gz MSAUEHGHDAWASR-SNVBAGLBSA-N 1 0 204.745 2.044 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000320696013 711937725 /nfs/dbraw/zinc/93/77/25/711937725.db2.gz XIEKAELYZSOWSU-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cncc(OC)c1)C(C)(C)C ZINC000702245557 712041402 /nfs/dbraw/zinc/04/14/02/712041402.db2.gz KOGUVEIEGVFCKG-ZDUSSCGKSA-N 1 0 232.327 2.228 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1nnc(CC)s1 ZINC000702700698 712060028 /nfs/dbraw/zinc/06/00/28/712060028.db2.gz AFZJPCPPLNTSPD-MRVPVSSYSA-N 1 0 211.334 2.155 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001034498972 712065824 /nfs/dbraw/zinc/06/58/24/712065824.db2.gz RFPUILRYKMHFOE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(F)cn1 ZINC000703429498 712076366 /nfs/dbraw/zinc/07/63/66/712076366.db2.gz DQAASBAQZPKNEI-LBPRGKRZSA-N 1 0 206.264 2.112 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C/C=C\C(=O)OCC)C1 ZINC000703691204 712083649 /nfs/dbraw/zinc/08/36/49/712083649.db2.gz SHHPTXYCZGBYHK-HWPRWLFBSA-N 1 0 223.316 2.004 20 30 BEEDRO CCCCCCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000703755355 712085180 /nfs/dbraw/zinc/08/51/80/712085180.db2.gz BUOFFJNCVHMJQH-GFCCVEGCSA-N 1 0 226.364 2.073 20 30 BEEDRO COC1CC(CN(CC#N)C2CCCC2)C1 ZINC000704216224 712101483 /nfs/dbraw/zinc/10/14/83/712101483.db2.gz IZRHKTPOHIFQSU-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO CCC[C@@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000708389368 712191697 /nfs/dbraw/zinc/19/16/97/712191697.db2.gz QZGVJOQRRBBFCI-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000709704551 712215937 /nfs/dbraw/zinc/21/59/37/712215937.db2.gz KWFMOLLPUYIEQU-GHMZBOCLSA-N 1 0 224.348 2.472 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000709459594 712222297 /nfs/dbraw/zinc/22/22/97/712222297.db2.gz TVMKKMRJCMLSOD-FGWVZKOKSA-N 1 0 222.357 2.306 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710959867 712268309 /nfs/dbraw/zinc/26/83/09/712268309.db2.gz MDQMYKFFLHABSU-LLVKDONJSA-N 1 0 245.388 2.037 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC1(OC)OC ZINC000710993739 712272799 /nfs/dbraw/zinc/27/27/99/712272799.db2.gz FSWVZYCEXSVNEA-LLVKDONJSA-N 1 0 227.348 2.330 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711310768 712293761 /nfs/dbraw/zinc/29/37/61/712293761.db2.gz CXSXYOUVLGUOKV-LBPRGKRZSA-N 1 0 240.391 2.319 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@H](CF)C2)CC1 ZINC000711414642 712298642 /nfs/dbraw/zinc/29/86/42/712298642.db2.gz UTJHKKRJWAEPQH-LLVKDONJSA-N 1 0 210.296 2.362 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711906601 712337542 /nfs/dbraw/zinc/33/75/42/712337542.db2.gz IWAGXBJLIMWOAG-STQMWFEESA-N 1 0 234.343 2.085 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711898008 712338796 /nfs/dbraw/zinc/33/87/96/712338796.db2.gz VVACOCWUKSPHQI-KBPBESRZSA-N 1 0 221.344 2.195 20 30 BEEDRO C=C(Cl)C[N@@H+](CCO)CC(C)(C)C ZINC000379402928 712382553 /nfs/dbraw/zinc/38/25/53/712382553.db2.gz OCXALZQKXWOPNW-UHFFFAOYSA-N 1 0 205.729 2.079 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000712377753 712428376 /nfs/dbraw/zinc/42/83/76/712428376.db2.gz OUMFDPJTLQILAQ-OLZOCXBDSA-N 1 0 221.344 2.480 20 30 BEEDRO C[C@@H](C#N)CN(C)C[C@H]1CCC2(CCC2)O1 ZINC000712386074 712428619 /nfs/dbraw/zinc/42/86/19/712428619.db2.gz JIXMZAVTDYHMIM-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CC#N)N(C)C[C@@H]1CCC(C)(C)CO1 ZINC000713619289 712467063 /nfs/dbraw/zinc/46/70/63/712467063.db2.gz NDLHLBIQNRLVEW-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO CCN(CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000713618403 712467272 /nfs/dbraw/zinc/46/72/72/712467272.db2.gz KHVZZOBUDZKZEW-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000715030333 712504738 /nfs/dbraw/zinc/50/47/38/712504738.db2.gz WYBHRIRFXAXUKF-VXGBXAGGSA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccns1 ZINC000715937693 712544332 /nfs/dbraw/zinc/54/43/32/712544332.db2.gz AXEXVLWUAAZKQG-DTWKUNHWSA-N 1 0 209.318 2.486 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(F)cc1F ZINC000716857411 712578761 /nfs/dbraw/zinc/57/87/61/712578761.db2.gz ROMPRCNFWTUPLT-LBPRGKRZSA-N 1 0 239.265 2.093 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccccc1Cl ZINC000716933501 712597175 /nfs/dbraw/zinc/59/71/75/712597175.db2.gz ILZAGARZRMADRM-GFCCVEGCSA-N 1 0 237.730 2.468 20 30 BEEDRO C#CCCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000379932050 712632371 /nfs/dbraw/zinc/63/23/71/712632371.db2.gz PGHHZLGAFSLZFX-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](CCC)C1CCCC1 ZINC000717698712 712665362 /nfs/dbraw/zinc/66/53/62/712665362.db2.gz JRPKROPIDXORAG-UONOGXRCSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)cc1Cl ZINC000380214283 712727407 /nfs/dbraw/zinc/72/74/07/712727407.db2.gz HWDVBUSNXYSDFQ-SECBINFHSA-N 1 0 223.703 2.460 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cnccn1 ZINC000717899078 712731809 /nfs/dbraw/zinc/73/18/09/712731809.db2.gz NQNXRAFUWYXNKD-UHFFFAOYSA-N 1 0 205.305 2.311 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCN(C)c1ccccc1 ZINC000037871158 712778073 /nfs/dbraw/zinc/77/80/73/712778073.db2.gz QCGVGFFCDSROSB-CYBMUJFWSA-N 1 0 231.343 2.405 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718856409 712786085 /nfs/dbraw/zinc/78/60/85/712786085.db2.gz CXVZAFOTHGEVIZ-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719682396 712821331 /nfs/dbraw/zinc/82/13/31/712821331.db2.gz NQXTVGUXSHFLSH-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H]1CC[N@H+](CCC(C)(C)C#N)CCO1 ZINC000720461550 712844354 /nfs/dbraw/zinc/84/43/54/712844354.db2.gz UCVBDTZAVGYIRY-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)C)[C@@H]1CCCO1 ZINC000380312601 712873698 /nfs/dbraw/zinc/87/36/98/712873698.db2.gz HQSQYSSTDZOEOJ-AVGNSLFASA-N 1 0 209.333 2.191 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721165404 712893728 /nfs/dbraw/zinc/89/37/28/712893728.db2.gz DMQXXHIMZFHFEQ-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC1(C)C ZINC001691435245 1166314926 /nfs/dbraw/zinc/31/49/26/1166314926.db2.gz XRVJVOKRAZCCDO-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000381457435 710638678 /nfs/dbraw/zinc/63/86/78/710638678.db2.gz JUJLJJFYHXQIDF-CHWSQXEVSA-N 1 0 241.400 2.148 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000381457437 710639640 /nfs/dbraw/zinc/63/96/40/710639640.db2.gz JUJLJJFYHXQIDF-QWHCGFSZSA-N 1 0 241.400 2.148 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000384139337 710659307 /nfs/dbraw/zinc/65/93/07/710659307.db2.gz CXAIFSUYWOHBRQ-OAHLLOKOSA-N 1 0 242.322 2.480 20 30 BEEDRO CCCCCCCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000381668689 710668963 /nfs/dbraw/zinc/66/89/63/710668963.db2.gz BOKTWHRUNHQHJE-MNOVXSKESA-N 1 0 214.353 2.199 20 30 BEEDRO C#CCCC[N@@H+]1CCS[C@@H](C(F)(F)F)C1 ZINC000721386919 710675482 /nfs/dbraw/zinc/67/54/82/710675482.db2.gz ZJCGJQNSRQRSHE-SECBINFHSA-N 1 0 237.290 2.380 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@H](C)CC(N)=O ZINC000393781042 710682819 /nfs/dbraw/zinc/68/28/19/710682819.db2.gz OXNHSXRASNBTFP-NWDGAFQWSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000722819313 710720597 /nfs/dbraw/zinc/72/05/97/710720597.db2.gz BVVIMYLBOFRMKZ-LBPRGKRZSA-N 1 0 249.358 2.248 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001039320954 710724555 /nfs/dbraw/zinc/72/45/55/710724555.db2.gz DBQRRUJPYJRJBC-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000381828335 710724614 /nfs/dbraw/zinc/72/46/14/710724614.db2.gz NADYGFHIXMDIIG-AAVRWANBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000381828340 710724768 /nfs/dbraw/zinc/72/47/68/710724768.db2.gz NADYGFHIXMDIIG-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723624695 710729951 /nfs/dbraw/zinc/72/99/51/710729951.db2.gz LSNSOQUXGOXZRS-JHJVBQTASA-N 1 0 209.333 2.357 20 30 BEEDRO C=CC[N@H+]1CC[C@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001041182209 710763727 /nfs/dbraw/zinc/76/37/27/710763727.db2.gz AGZGVJHPTMSNNT-WQPBDQAGSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)C=C2CCC2)C1 ZINC001042602717 710794332 /nfs/dbraw/zinc/79/43/32/710794332.db2.gz DIEPHKHALUJTNG-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1c(C)noc1C ZINC000384183547 710807453 /nfs/dbraw/zinc/80/74/53/710807453.db2.gz RDVJXNMPRDOJKV-GFCCVEGCSA-N 1 0 206.289 2.183 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cn2ccccc2n1 ZINC000384203664 710822415 /nfs/dbraw/zinc/82/24/15/710822415.db2.gz MNAXTRIEXNRRAT-AWEZNQCLSA-N 1 0 227.311 2.226 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccoc2)[C@@H](C)C1 ZINC001044458494 710827379 /nfs/dbraw/zinc/82/73/79/710827379.db2.gz OFFHHWXJKUCOPN-AAEUAGOBSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C\C2CC2)[C@H](C)C1 ZINC001044522636 710828743 /nfs/dbraw/zinc/82/87/43/710828743.db2.gz JNMDMKQBDFDOBE-PFBXESSKSA-N 1 0 248.370 2.108 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CCOC1 ZINC000903109476 710892552 /nfs/dbraw/zinc/89/25/52/710892552.db2.gz PPWOALVVRUDXAL-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903085080 710889943 /nfs/dbraw/zinc/88/99/43/710889943.db2.gz PPKDNSKXCIFENL-NQBHXWOUSA-N 1 0 247.342 2.153 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903069061 710890360 /nfs/dbraw/zinc/89/03/60/710890360.db2.gz BRSSOLQMSIDNFZ-GDLCADMTSA-N 1 0 245.326 2.171 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCCc1cnn(C)c1 ZINC000384462709 710915760 /nfs/dbraw/zinc/91/57/60/710915760.db2.gz JESDBQNGWQTJIU-UHFFFAOYSA-N 1 0 248.374 2.224 20 30 BEEDRO C=CC[NH+]1CCC2(CN(C(=O)C=C(C)C)C2)CC1 ZINC001050417604 710953857 /nfs/dbraw/zinc/95/38/57/710953857.db2.gz YLMFAVSGHOBSFU-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CC)CC1 ZINC001052129254 710959914 /nfs/dbraw/zinc/95/99/14/710959914.db2.gz IVFCLWUVBYJSLJ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccco2)CC1 ZINC001052158039 710962126 /nfs/dbraw/zinc/96/21/26/710962126.db2.gz FQJZLWQFEHFNHF-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)C)CC1 ZINC001052211980 710963164 /nfs/dbraw/zinc/96/31/64/710963164.db2.gz JPKAWYVBZAIPEJ-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(C)C)CC1 ZINC001052212411 710963864 /nfs/dbraw/zinc/96/38/64/710963864.db2.gz RRAIRRUJXLBPGF-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccoc2)CC1 ZINC001052203411 710963967 /nfs/dbraw/zinc/96/39/67/710963967.db2.gz BAWIYTPCZHZUIQ-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)CC1 ZINC001052302113 710964153 /nfs/dbraw/zinc/96/41/53/710964153.db2.gz FYKMEBIMVWCBNX-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000383151680 710978031 /nfs/dbraw/zinc/97/80/31/710978031.db2.gz JUGOZIMSUAVFEV-GJZGRUSLSA-N 1 0 236.403 2.500 20 30 BEEDRO CON=C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000146591239 710982895 /nfs/dbraw/zinc/98/28/95/710982895.db2.gz SOGYVFGEYVFNNX-UHFFFAOYSA-N 1 0 243.310 2.156 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])NC1CCCC1 ZINC000384839721 710998366 /nfs/dbraw/zinc/99/83/66/710998366.db2.gz IDEAANJUPRXHAM-UHFFFAOYSA-N 1 0 209.337 2.255 20 30 BEEDRO CC(C)[N@H+](CCOCCC#N)CC1CC1 ZINC000385248197 711009090 /nfs/dbraw/zinc/00/90/90/711009090.db2.gz RPYVGKRJUHMADF-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000385432605 711012992 /nfs/dbraw/zinc/01/29/92/711012992.db2.gz NUXGGPKKJTVIRC-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO COc1ccccc1C[N@H+](C)CCO[C@H](C)C#N ZINC000385571060 711014805 /nfs/dbraw/zinc/01/48/05/711014805.db2.gz XNSLBYXYQHRXQO-GFCCVEGCSA-N 1 0 248.326 2.056 20 30 BEEDRO C=CCOCC[NH2+]Cc1nc(C)c(C)s1 ZINC000389455139 711080372 /nfs/dbraw/zinc/08/03/72/711080372.db2.gz XGORSHYRKPKIMC-UHFFFAOYSA-N 1 0 226.345 2.052 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000389704967 711086836 /nfs/dbraw/zinc/08/68/36/711086836.db2.gz KRKKEDBDPQBNTL-WOPDTQHZSA-N 1 0 205.305 2.208 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000389752509 711089346 /nfs/dbraw/zinc/08/93/46/711089346.db2.gz ZKDCXCRILQXZQW-FRRDWIJNSA-N 1 0 209.333 2.051 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000389752517 711089718 /nfs/dbraw/zinc/08/97/18/711089718.db2.gz ZKDCXCRILQXZQW-YNEHKIRRSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]([NH2+]CCCCCC)[C@H]1CCCO1 ZINC000389915204 711097513 /nfs/dbraw/zinc/09/75/13/711097513.db2.gz KWUHTDPHGICEKN-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CC[C@H](O)c1ccccc1 ZINC000390316308 711112591 /nfs/dbraw/zinc/11/25/91/711112591.db2.gz HJAJWQXHRZVTQA-AAEUAGOBSA-N 1 0 218.300 2.002 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)[C@@H]1CCCO1 ZINC000390445532 711117478 /nfs/dbraw/zinc/11/74/78/711117478.db2.gz XJPXQNVUZVGMOU-RQJABVFESA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1cnccn1)C(C)(C)C ZINC000390493610 711121930 /nfs/dbraw/zinc/12/19/30/711121930.db2.gz REOCFULBTDKUFU-PWSUYJOCSA-N 1 0 217.316 2.175 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000390529640 711124399 /nfs/dbraw/zinc/12/43/99/711124399.db2.gz IAFPBXQKIYJGES-OCCSQVGLSA-N 1 0 222.376 2.415 20 30 BEEDRO CO[C@H](C)CC[NH2+]CC#Cc1ccccc1 ZINC000390770444 711133795 /nfs/dbraw/zinc/13/37/95/711133795.db2.gz VNLMWEWKEMYWQQ-CYBMUJFWSA-N 1 0 217.312 2.053 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccsc1C)[C@H]1CCCO1 ZINC000393938440 711179142 /nfs/dbraw/zinc/17/91/42/711179142.db2.gz SZQVSUNKUPECQJ-QWHCGFSZSA-N 1 0 235.352 2.327 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000393938295 711179670 /nfs/dbraw/zinc/17/96/70/711179670.db2.gz SQVMVWWPVCJQFU-UPJWGTAASA-N 1 0 236.359 2.426 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCCC1(C)C ZINC000393957138 711180933 /nfs/dbraw/zinc/18/09/33/711180933.db2.gz KXIBSCKFFXVBDY-CQSZACIVSA-N 1 0 236.403 2.500 20 30 BEEDRO C=C(Cl)CN1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001071278746 711183263 /nfs/dbraw/zinc/18/32/63/711183263.db2.gz IPNJQGBVRZGONC-QWRGUYRKSA-N 1 0 244.766 2.118 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cncc(C)c1 ZINC000395148862 711203278 /nfs/dbraw/zinc/20/32/78/711203278.db2.gz MVZYIGDDFYRTCX-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO CC(C)[C@H]1CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000395768847 711214356 /nfs/dbraw/zinc/21/43/56/711214356.db2.gz FUIGVNNGVHAYAH-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)[C@H]1CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000395768845 711214952 /nfs/dbraw/zinc/21/49/52/711214952.db2.gz FUIGVNNGVHAYAH-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CCC1(O)CCC1 ZINC000396771937 711369831 /nfs/dbraw/zinc/36/98/31/711369831.db2.gz VHFFGGFGIQMKER-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)O1 ZINC000398072213 711400454 /nfs/dbraw/zinc/40/04/54/711400454.db2.gz MQRSISIUFBMSBI-UKRRQHHQSA-N 1 0 229.323 2.195 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCC1)[C@@H]1CCCO1 ZINC000381348217 710624817 /nfs/dbraw/zinc/62/48/17/710624817.db2.gz ZQHGEOWMEXWWDT-UBHSHLNASA-N 1 0 221.344 2.336 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001041903875 710770981 /nfs/dbraw/zinc/77/09/81/710770981.db2.gz LOOGODGPEBUTMK-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000384224843 710834698 /nfs/dbraw/zinc/83/46/98/710834698.db2.gz UTNRZZXIRASSCA-KGLIPLIRSA-N 1 0 235.302 2.251 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccccc1F ZINC000384234670 710836905 /nfs/dbraw/zinc/83/69/05/710836905.db2.gz YSDRGHCVYGOBJE-AWEZNQCLSA-N 1 0 248.301 2.156 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)c2ccco2)CC1 ZINC001045343889 710838119 /nfs/dbraw/zinc/83/81/19/710838119.db2.gz GQXCEMICVOGROV-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000903102398 710890817 /nfs/dbraw/zinc/89/08/17/710890817.db2.gz YAZMEZTVMWLDIT-LLVKDONJSA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000903102361 710890936 /nfs/dbraw/zinc/89/09/36/710890936.db2.gz WYMJRHRKMDGVNM-OLZOCXBDSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C\C ZINC001049409009 710900698 /nfs/dbraw/zinc/90/06/98/710900698.db2.gz YCLKKVNSSHBJFW-WWRZCIAWSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C ZINC001054390572 710932531 /nfs/dbraw/zinc/93/25/31/710932531.db2.gz WNCNJUCXNVQKDA-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(C)(C)C)C[C@@H]1C ZINC001054390574 710932610 /nfs/dbraw/zinc/93/26/10/710932610.db2.gz WNCNJUCXNVQKDA-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]CCC)C1 ZINC001054966192 710943484 /nfs/dbraw/zinc/94/34/84/710943484.db2.gz JJIKDFRGLZQXBP-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@H]([NH2+]CC)[C@@H](C)C1 ZINC001054970748 710943604 /nfs/dbraw/zinc/94/36/04/710943604.db2.gz HUSXEBYMPRYVPN-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)c1ccccc1F ZINC000387468676 711044054 /nfs/dbraw/zinc/04/40/54/711044054.db2.gz SVMCTOZKJXGSAS-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1ccc(OC)cc1 ZINC000395197373 711204669 /nfs/dbraw/zinc/20/46/69/711204669.db2.gz DLHFDCJGQWAWGW-OAHLLOKOSA-N 1 0 247.338 2.466 20 30 BEEDRO C=C(C)C[N@H+]1CCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC001072601264 711382228 /nfs/dbraw/zinc/38/22/28/711382228.db2.gz NFRCWSDJBUCTSR-WLRTZDKTSA-N 1 0 248.370 2.063 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000397692616 711389126 /nfs/dbraw/zinc/38/91/26/711389126.db2.gz NKEBHGXMGRMSJR-NSHDSACASA-N 1 0 204.273 2.405 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](Cc2ccoc2)C1 ZINC000397692614 711389743 /nfs/dbraw/zinc/38/97/43/711389743.db2.gz NKEBHGXMGRMSJR-LLVKDONJSA-N 1 0 204.273 2.405 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)CCC(C)(C)C ZINC000399793356 711435389 /nfs/dbraw/zinc/43/53/89/711435389.db2.gz VFWYBOUAPWQAGB-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCC1(OC)OC ZINC000710999609 711454552 /nfs/dbraw/zinc/45/45/52/711454552.db2.gz WFSIDWGIZPZCPI-GHMZBOCLSA-N 1 0 213.321 2.082 20 30 BEEDRO C#CCSCCNc1cc[nH+]c(C)c1Cl ZINC000382444676 711485151 /nfs/dbraw/zinc/48/51/51/711485151.db2.gz YPLOUWLOKVISGK-UHFFFAOYSA-N 1 0 240.759 2.244 20 30 BEEDRO C=CCCCON=C(N)C[N@H+]1CCCC[C@H]1C ZINC000077239563 711524763 /nfs/dbraw/zinc/52/47/63/711524763.db2.gz RJIGTCUSLZAYGT-GFCCVEGCSA-N 1 0 239.363 2.116 20 30 BEEDRO C#CCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723966469 711548539 /nfs/dbraw/zinc/54/85/39/711548539.db2.gz UKCJUUCWQWOMJY-UONOGXRCSA-N 1 0 221.344 2.195 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CCCOC1 ZINC000723978317 711550121 /nfs/dbraw/zinc/55/01/21/711550121.db2.gz OLSUJZCLBGZDCS-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)[C@H]1CCCOC1 ZINC000723977894 711550385 /nfs/dbraw/zinc/55/03/85/711550385.db2.gz YJHIVLYBOWLWMK-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723995890 711552304 /nfs/dbraw/zinc/55/23/04/711552304.db2.gz RPYAOJMFLRCSGE-ZIAGYGMSSA-N 1 0 248.370 2.475 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)[C@@H]1CCCOC1 ZINC000724005739 711553965 /nfs/dbraw/zinc/55/39/65/711553965.db2.gz GGUAUDXGOQIDLM-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]CC#Cc1ccccc1 ZINC000094953581 711561189 /nfs/dbraw/zinc/56/11/89/711561189.db2.gz IMMRTHGHENWTJD-AWEZNQCLSA-N 1 0 231.339 2.036 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721499244 711563736 /nfs/dbraw/zinc/56/37/36/711563736.db2.gz GVNITMHOZYSGGF-AWEZNQCLSA-N 1 0 229.327 2.431 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721499259 711564025 /nfs/dbraw/zinc/56/40/25/711564025.db2.gz GVNITMHOZYSGGF-CQSZACIVSA-N 1 0 229.327 2.431 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000724163683 711565892 /nfs/dbraw/zinc/56/58/92/711565892.db2.gz PTVMJVIAEDBRNL-HUUCEWRRSA-N 1 0 244.338 2.476 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000934469434 711587684 /nfs/dbraw/zinc/58/76/84/711587684.db2.gz UJWXPKCYNBTXPZ-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C1CCC(C[NH2+]C2CCS(=O)CC2)CC1 ZINC000724549503 711589356 /nfs/dbraw/zinc/58/93/56/711589356.db2.gz NQWABDMZTSMALP-UHFFFAOYSA-N 1 0 241.400 2.234 20 30 BEEDRO CC[C@@]1(C)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000308831828 711590264 /nfs/dbraw/zinc/59/02/64/711590264.db2.gz UJWNICFDLDCWJL-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724860818 711621851 /nfs/dbraw/zinc/62/18/51/711621851.db2.gz XNHBWDGNXKMVLF-NDBYEHHHSA-N 1 0 224.348 2.424 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000724865954 711622067 /nfs/dbraw/zinc/62/20/67/711622067.db2.gz XYJHKIXUPAVEMA-DGAVXFQQSA-N 1 0 236.359 2.426 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000717840479 711627819 /nfs/dbraw/zinc/62/78/19/711627819.db2.gz GYXXJBALAOZDDW-MELADBBJSA-N 1 0 223.360 2.319 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c1 ZINC000721581218 711651575 /nfs/dbraw/zinc/65/15/75/711651575.db2.gz MUIZGTHRXXZSPT-KBPBESRZSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1ccncc1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000135798361 711662225 /nfs/dbraw/zinc/66/22/25/711662225.db2.gz DSRDKOQVESQEHF-GFCCVEGCSA-N 1 0 242.326 2.040 20 30 BEEDRO C[C@H]1C[NH+](Cc2cncc(C#N)c2)C[C@@H]1C ZINC000721614894 711670842 /nfs/dbraw/zinc/67/08/42/711670842.db2.gz NJIJZNRCXRXDTM-QWRGUYRKSA-N 1 0 215.300 2.041 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721615591 711671262 /nfs/dbraw/zinc/67/12/62/711671262.db2.gz SBUBYPIDBYVRAM-CYBMUJFWSA-N 1 0 215.300 2.328 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCCCCC1)[C@H]1CCCO1 ZINC000393759333 711677578 /nfs/dbraw/zinc/67/75/78/711677578.db2.gz ZDSMRABQZQANPN-ZIAGYGMSSA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000229875823 711678069 /nfs/dbraw/zinc/67/80/69/711678069.db2.gz DYNDBQWDLSVIBB-ZDUSSCGKSA-N 1 0 228.295 2.068 20 30 BEEDRO CCCCCCCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000385237026 711683644 /nfs/dbraw/zinc/68/36/44/711683644.db2.gz KTFFHCPSZDJLNF-VXGBXAGGSA-N 1 0 226.364 2.295 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C/C=C/C ZINC000395039009 711691987 /nfs/dbraw/zinc/69/19/87/711691987.db2.gz MVTKNGJOUJZJKM-HWKANZROSA-N 1 0 215.296 2.364 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001027280218 711724136 /nfs/dbraw/zinc/72/41/36/711724136.db2.gz OWELGQANMOZSSR-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001027719356 711733484 /nfs/dbraw/zinc/73/34/84/711733484.db2.gz HVFLRQJQPHALCT-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000722330135 711738485 /nfs/dbraw/zinc/73/84/85/711738485.db2.gz JEOFZRFRARXLKJ-FRRDWIJNSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000893606129 711745283 /nfs/dbraw/zinc/74/52/83/711745283.db2.gz NASMSVCDHRUYNK-IVZWLZJFSA-N 1 0 245.164 2.442 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000453343676 711763973 /nfs/dbraw/zinc/76/39/73/711763973.db2.gz JHMHWNAZKKFZSC-YUTCNCBUSA-N 1 0 247.342 2.110 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000878961628 711767697 /nfs/dbraw/zinc/76/76/97/711767697.db2.gz YRVCKBPXBPJZIE-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCO[C@H]1CCCCO1 ZINC000894795630 711772221 /nfs/dbraw/zinc/77/22/21/711772221.db2.gz BHZRKMXJPLEBMN-OLZOCXBDSA-N 1 0 240.347 2.059 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnc(F)c(C)c2)C1 ZINC000895202375 711779978 /nfs/dbraw/zinc/77/99/78/711779978.db2.gz MRNZXOJEXDCVAR-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000897170794 711784899 /nfs/dbraw/zinc/78/48/99/711784899.db2.gz IDQIKFYZQSBOCD-UHFFFAOYSA-N 1 0 242.322 2.410 20 30 BEEDRO CCNC(=[NH2+])NCc1ccc(C)cc1SC ZINC000305012568 711785684 /nfs/dbraw/zinc/78/56/84/711785684.db2.gz KXUSUBQAVPKWLI-UHFFFAOYSA-N 1 0 237.372 2.141 20 30 BEEDRO C=C(Cl)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000379390490 711801195 /nfs/dbraw/zinc/80/11/95/711801195.db2.gz OBEKWFBCYMHITM-SNVBAGLBSA-N 1 0 205.729 2.484 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000591476914 711827792 /nfs/dbraw/zinc/82/77/92/711827792.db2.gz WZHMVDRNXHWKOH-CHWSQXEVSA-N 1 0 237.343 2.226 20 30 BEEDRO CC(C)(CCCO)C[NH2+]CC#Cc1ccccc1 ZINC000227964369 711833283 /nfs/dbraw/zinc/83/32/83/711833283.db2.gz WDVLBDVCVOMIOP-UHFFFAOYSA-N 1 0 245.366 2.426 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCCCCO)C1 ZINC000185878842 711908867 /nfs/dbraw/zinc/90/88/67/711908867.db2.gz ZJQMBJLPLIYJEW-CHWSQXEVSA-N 1 0 224.348 2.211 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000382420284 711911161 /nfs/dbraw/zinc/91/11/61/711911161.db2.gz WRCZIIVPFAHGAV-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921754768 711938611 /nfs/dbraw/zinc/93/86/11/711938611.db2.gz MSIQFJYHFWORSK-GFCCVEGCSA-N 1 0 246.354 2.443 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921835125 711944006 /nfs/dbraw/zinc/94/40/06/711944006.db2.gz NSLPUYAQDYTBDZ-NSHDSACASA-N 1 0 232.327 2.053 20 30 BEEDRO N#CCCC[NH2+]Cc1nccc2c1CCCC2 ZINC000921985202 711951394 /nfs/dbraw/zinc/95/13/94/711951394.db2.gz PKVSVMKKWMGTBM-UHFFFAOYSA-N 1 0 229.327 2.354 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccoc2)C1 ZINC001032904365 711966677 /nfs/dbraw/zinc/96/66/77/711966677.db2.gz HUCDREMFCQANGK-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001032901114 711967109 /nfs/dbraw/zinc/96/71/09/711967109.db2.gz NERYLJPSAAZGPX-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000700366441 711990301 /nfs/dbraw/zinc/99/03/01/711990301.db2.gz BIIYXJQRFLELCP-KOLCDFICSA-N 1 0 217.740 2.222 20 30 BEEDRO C#C[C@@H](NCc1cnc(C)o1)C(C)(C)C ZINC000700835179 712007775 /nfs/dbraw/zinc/00/77/75/712007775.db2.gz WXMVDMDUOPYLHK-LLVKDONJSA-N 1 0 206.289 2.121 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccco2)C1 ZINC001033724843 712016388 /nfs/dbraw/zinc/01/63/88/712016388.db2.gz GKLKMFQMOVAWPY-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO N#Cc1ccc([C@@H](O)CN2CCC[C@@H](F)C2)cc1 ZINC000701702595 712027806 /nfs/dbraw/zinc/02/78/06/712027806.db2.gz OBQDQRSAOXOZAM-KGLIPLIRSA-N 1 0 248.301 2.026 20 30 BEEDRO N#Cc1ccc(OCCN2CCC[C@H](F)C2)cc1 ZINC000701697401 712028055 /nfs/dbraw/zinc/02/80/55/712028055.db2.gz CNWXUEBVWYMXGJ-ZDUSSCGKSA-N 1 0 248.301 2.371 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000701911392 712031871 /nfs/dbraw/zinc/03/18/71/712031871.db2.gz VSPJREVICDONIX-VXGBXAGGSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccoc2)C1 ZINC001034103547 712040262 /nfs/dbraw/zinc/04/02/62/712040262.db2.gz CKNGBIDNOJQUGR-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C(C)(C)C ZINC000702257624 712042527 /nfs/dbraw/zinc/04/25/27/712042527.db2.gz SFBBTUMMADEXAT-TUAOUCFPSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(OC)ns1)C(C)(C)C ZINC000702294741 712043321 /nfs/dbraw/zinc/04/33/21/712043321.db2.gz NWNFGCGFUPWLFK-JTQLQIEISA-N 1 0 238.356 2.289 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C/C=C(\C)C(=O)OC)C1 ZINC000703661729 712082450 /nfs/dbraw/zinc/08/24/50/712082450.db2.gz CGWXADKTBHRKBT-RPHSKFLZSA-N 1 0 237.343 2.394 20 30 BEEDRO CCCCCCCNC(=O)CC[C@H](C)[NH3+] ZINC000703751295 712084998 /nfs/dbraw/zinc/08/49/98/712084998.db2.gz AMSTZGAKFDYJSG-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703919156 712093965 /nfs/dbraw/zinc/09/39/65/712093965.db2.gz JEYHYYCRRFJYGM-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO COC1CC(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000704216242 712101371 /nfs/dbraw/zinc/10/13/71/712101371.db2.gz LOIQCIFZVDVHAA-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000705942465 712138254 /nfs/dbraw/zinc/13/82/54/712138254.db2.gz UDYXRWLLCCLPGY-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C=C2CCC2)C[C@@H]1C ZINC001035994081 712152497 /nfs/dbraw/zinc/15/24/97/712152497.db2.gz VXPJKUYQIFREFQ-JSGCOSHPSA-N 1 0 248.370 2.109 20 30 BEEDRO CCNC(NCC[C@H]1CC=CCC1)=[NH+]CC ZINC000706806500 712156698 /nfs/dbraw/zinc/15/66/98/712156698.db2.gz KLLIILISDPAKLC-LBPRGKRZSA-N 1 0 223.364 2.308 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]CC)[C@H](C)C1 ZINC001036144077 712158342 /nfs/dbraw/zinc/15/83/42/712158342.db2.gz RRTOKFWDVRXRGL-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000706901638 712159704 /nfs/dbraw/zinc/15/97/04/712159704.db2.gz OVTCGKRFCUVASQ-GXTWGEPZSA-N 1 0 228.295 2.031 20 30 BEEDRO N#Cc1ccccc1OCC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000706903692 712160361 /nfs/dbraw/zinc/16/03/61/712160361.db2.gz XEDGHKLONMSUFI-YPMHNXCESA-N 1 0 228.295 2.031 20 30 BEEDRO C=C(Br)C[NH2+]C1CC(SC)C1 ZINC000706921656 712160741 /nfs/dbraw/zinc/16/07/41/712160741.db2.gz JZZPHTZJTRKCJK-UHFFFAOYSA-N 1 0 236.178 2.379 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000707741571 712176944 /nfs/dbraw/zinc/17/69/44/712176944.db2.gz BPFIHDJTAQGPPP-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000707765676 712177582 /nfs/dbraw/zinc/17/75/82/712177582.db2.gz QNJQWNQXMMTDIH-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO Cc1cnccc1CN1CCC[C@@H](C#N)C1 ZINC000707800729 712178155 /nfs/dbraw/zinc/17/81/55/712178155.db2.gz LXJBAOXWPYPQHT-LBPRGKRZSA-N 1 0 215.300 2.126 20 30 BEEDRO C#CC1(O)CC[NH+](CC2(C)CCCC2)CC1 ZINC000708112918 712181811 /nfs/dbraw/zinc/18/18/11/712181811.db2.gz DRQHXMWELVEJNL-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H](CC)CC(F)F)CC1 ZINC000708104411 712181952 /nfs/dbraw/zinc/18/19/52/712181952.db2.gz OVLVFOMQBACXJY-LLVKDONJSA-N 1 0 245.313 2.128 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)[C@@]12C[C@@H]1CCCC2 ZINC000708844572 712200812 /nfs/dbraw/zinc/20/08/12/712200812.db2.gz YQHMRTHNFOCKCN-MELADBBJSA-N 1 0 236.359 2.475 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](CCCC)C(=O)OC)C1 ZINC000709555238 712224714 /nfs/dbraw/zinc/22/47/14/712224714.db2.gz VTTUKUKUEKMITI-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cn(C)cn1 ZINC000709916729 712232590 /nfs/dbraw/zinc/23/25/90/712232590.db2.gz BIHQAOQADPIUJU-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cn(C)cn1 ZINC000710183479 712247419 /nfs/dbraw/zinc/24/74/19/712247419.db2.gz KYXLXKPONZLPMC-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710767088 712256653 /nfs/dbraw/zinc/25/66/53/712256653.db2.gz QIXTWJDJHIZJQA-NSHDSACASA-N 1 0 220.341 2.346 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC1(OC)OC ZINC000711040066 712275570 /nfs/dbraw/zinc/27/55/70/712275570.db2.gz FSJXRUYDDOBJAF-LLVKDONJSA-N 1 0 227.348 2.330 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000711026927 712275743 /nfs/dbraw/zinc/27/57/43/712275743.db2.gz PKROBXWTBPLVIN-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000711026923 712275747 /nfs/dbraw/zinc/27/57/47/712275747.db2.gz PKROBXWTBPLVIN-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711376399 712295661 /nfs/dbraw/zinc/29/56/61/712295661.db2.gz IUBZENVHZRHYNB-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)CC[C@H]21 ZINC001036685437 712295697 /nfs/dbraw/zinc/29/56/97/712295697.db2.gz XQXWDNCVCHXVQE-SNBRUFEUSA-N 1 0 248.370 2.061 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711429535 712299324 /nfs/dbraw/zinc/29/93/24/712299324.db2.gz HJODTIVNHIBBSG-LLVKDONJSA-N 1 0 218.275 2.350 20 30 BEEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@H](CF)C1 ZINC000711435820 712299976 /nfs/dbraw/zinc/29/99/76/712299976.db2.gz QHSHWPJFABQRSX-GFCCVEGCSA-N 1 0 248.301 2.228 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711435867 712300070 /nfs/dbraw/zinc/30/00/70/712300070.db2.gz RNEDMMYSNOTXES-LBPRGKRZSA-N 1 0 248.301 2.358 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711677447 712315799 /nfs/dbraw/zinc/31/57/99/712315799.db2.gz BNQCLZDFQAWJHU-DZGCQCFKSA-N 1 0 242.322 2.147 20 30 BEEDRO C=CCSCC[NH2+]Cc1nccn1C1CC1 ZINC000711745992 712322868 /nfs/dbraw/zinc/32/28/68/712322868.db2.gz LDVDCTDDPBYYRY-UHFFFAOYSA-N 1 0 237.372 2.227 20 30 BEEDRO N#CCCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711831304 712333410 /nfs/dbraw/zinc/33/34/10/712333410.db2.gz CMBJMTONSWAWCA-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711848734 712335048 /nfs/dbraw/zinc/33/50/48/712335048.db2.gz VSWPKXAELQSRAS-UONOGXRCSA-N 1 0 248.370 2.475 20 30 BEEDRO C#CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711898021 712338767 /nfs/dbraw/zinc/33/87/67/712338767.db2.gz VVACOCWUKSPHQI-ZIAGYGMSSA-N 1 0 221.344 2.195 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000379182794 712371201 /nfs/dbraw/zinc/37/12/01/712371201.db2.gz PYROGWNUSVCRBT-UWVGGRQHSA-N 1 0 203.713 2.286 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000379418750 712384101 /nfs/dbraw/zinc/38/41/01/712384101.db2.gz WPFPCLYPZKQDAS-UWVGGRQHSA-N 1 0 248.164 2.300 20 30 BEEDRO C#CCCCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000379728218 712393033 /nfs/dbraw/zinc/39/30/33/712393033.db2.gz ATPGPUYXGYYQGU-AWEZNQCLSA-N 1 0 233.359 2.301 20 30 BEEDRO N#C[C@@H]1CCCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712392223 712428840 /nfs/dbraw/zinc/42/88/40/712428840.db2.gz SZVXTZFZYXULNC-QWHCGFSZSA-N 1 0 234.343 2.324 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnn(C)c1Cl ZINC000712455365 712430801 /nfs/dbraw/zinc/43/08/01/712430801.db2.gz MTDYBAASTGZKMP-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO CC[N@@H+]1CC[C@H]1CNc1cccc(F)c1C#N ZINC000712579072 712432651 /nfs/dbraw/zinc/43/26/51/712432651.db2.gz KSKRRIFPIOBWTI-JTQLQIEISA-N 1 0 233.290 2.203 20 30 BEEDRO C[N@@H+]1CC[C@H]1CNc1cccc(Cl)c1C#N ZINC000712593367 712435516 /nfs/dbraw/zinc/43/55/16/712435516.db2.gz AYHOHRSZUHWCHX-VIFPVBQESA-N 1 0 235.718 2.328 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC000713055514 712451835 /nfs/dbraw/zinc/45/18/35/712451835.db2.gz ABRKKVPDFCLVMW-UPJWGTAASA-N 1 0 223.360 2.175 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000713062151 712452111 /nfs/dbraw/zinc/45/21/11/712452111.db2.gz AEPMFSJQIHZGAA-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C/C=C\CC[NH2+]Cc1ccc(C#N)o1 ZINC000713447377 712460605 /nfs/dbraw/zinc/46/06/05/712460605.db2.gz GDDCWMYAUJVQAU-ARJAWSKDSA-N 1 0 202.257 2.373 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000714487248 712492289 /nfs/dbraw/zinc/49/22/89/712492289.db2.gz DVIPASYILLAERU-UTUOFQBUSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)s2)C1 ZINC000714702791 712496140 /nfs/dbraw/zinc/49/61/40/712496140.db2.gz YZKODDCFXYXARO-MGCOHNPYSA-N 1 0 236.340 2.134 20 30 BEEDRO COCCN(CCC#N)CC[C@@H]1C[C@H]1C1CC1 ZINC000714818568 712501001 /nfs/dbraw/zinc/50/10/01/712501001.db2.gz DLYFQCNXAGGZNR-KGLIPLIRSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000715030332 712504563 /nfs/dbraw/zinc/50/45/63/712504563.db2.gz WYBHRIRFXAXUKF-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000714995258 712502999 /nfs/dbraw/zinc/50/29/99/712502999.db2.gz GIZDYDDCSWJNSS-VHDGCEQUSA-N 1 0 230.355 2.378 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000715097139 712508398 /nfs/dbraw/zinc/50/83/98/712508398.db2.gz PXEHZTBXKVYVOD-TXEJJXNPSA-N 1 0 226.364 2.200 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccns1 ZINC000715937689 712543946 /nfs/dbraw/zinc/54/39/46/712543946.db2.gz AXEXVLWUAAZKQG-BDAKNGLRSA-N 1 0 209.318 2.486 20 30 BEEDRO Cc1n[nH]c(C[NH2+]Cc2cccc(C#N)c2)c1C ZINC000716441470 712561062 /nfs/dbraw/zinc/56/10/62/712561062.db2.gz QTBJUGVDBHFLJW-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO C[N@H+](CCCF)CCOc1ccc(C#N)cc1 ZINC000716718156 712570778 /nfs/dbraw/zinc/57/07/78/712570778.db2.gz NZAVEELZFWFWTR-UHFFFAOYSA-N 1 0 236.290 2.228 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CC(C)(C)C ZINC000716816510 712576449 /nfs/dbraw/zinc/57/64/49/712576449.db2.gz CIRBLKBBFYXOGA-NWDGAFQWSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000716857785 712579199 /nfs/dbraw/zinc/57/91/99/712579199.db2.gz UMHNKEIXLHRAFI-ZDUSSCGKSA-N 1 0 239.265 2.093 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC(C#N)CC1 ZINC000813335054 712587754 /nfs/dbraw/zinc/58/77/54/712587754.db2.gz IZMYCOYFDWAZJX-NSHDSACASA-N 1 0 205.305 2.162 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000825227746 712592131 /nfs/dbraw/zinc/59/21/31/712592131.db2.gz ZNADBWPJHWKKSE-SWLSCSKDSA-N 1 0 229.323 2.325 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccsc1C ZINC000716930271 712597038 /nfs/dbraw/zinc/59/70/38/712597038.db2.gz ZKSREZSUJPILEX-GFCCVEGCSA-N 1 0 223.341 2.184 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CCc1ccco1 ZINC000716933477 712597253 /nfs/dbraw/zinc/59/72/53/712597253.db2.gz IFHBRIFRTRUCTR-OLZOCXBDSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(F)ccc1C ZINC000716935612 712597492 /nfs/dbraw/zinc/59/74/92/712597492.db2.gz PLTUNVLKGONUFM-AWEZNQCLSA-N 1 0 235.302 2.262 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000716935463 712597519 /nfs/dbraw/zinc/59/75/19/712597519.db2.gz OCKYZYJSCNBCAM-AWEZNQCLSA-N 1 0 242.322 2.296 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)CC(C)(C)C#N ZINC000716949557 712598820 /nfs/dbraw/zinc/59/88/20/712598820.db2.gz YKQRUSYUYHZVBB-GRYCIOLGSA-N 1 0 226.364 2.454 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000848923568 712610306 /nfs/dbraw/zinc/61/03/06/712610306.db2.gz NEZSDJYTOQZQSW-NSHDSACASA-N 1 0 249.383 2.054 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccs1)[C@@H]1CCCO1 ZINC000379896465 712621719 /nfs/dbraw/zinc/62/17/19/712621719.db2.gz CBCXVIFOFXNFHD-RYUDHWBXSA-N 1 0 221.325 2.019 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCCC=C)CC1 ZINC000880484282 712633375 /nfs/dbraw/zinc/63/33/75/712633375.db2.gz TUIAUWHFBCDFFT-UHFFFAOYSA-N 1 0 221.344 2.193 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000717285569 712645069 /nfs/dbraw/zinc/64/50/69/712645069.db2.gz RHTBXQBHQUXHOO-LBPRGKRZSA-N 1 0 234.299 2.056 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Nc2ccnc(Cl)c2)C1 ZINC000884612714 712647851 /nfs/dbraw/zinc/64/78/51/712647851.db2.gz RWVVYPIKPKWFIV-LBPRGKRZSA-N 1 0 249.745 2.245 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cccnc2C)CC1 ZINC000717424227 712658368 /nfs/dbraw/zinc/65/83/68/712658368.db2.gz MMHROBJYSBAOJU-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C=CCC1(O)CC[NH+](CCC2CC2)CC1 ZINC000717491935 712660035 /nfs/dbraw/zinc/66/00/35/712660035.db2.gz AEJOARAGRGASQI-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000717589224 712661377 /nfs/dbraw/zinc/66/13/77/712661377.db2.gz POHCXWNKLKLFOS-HNNXBMFYSA-N 1 0 243.350 2.443 20 30 BEEDRO CC1(C)CO[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000717589225 712661436 /nfs/dbraw/zinc/66/14/36/712661436.db2.gz POHCXWNKLKLFOS-OAHLLOKOSA-N 1 0 243.350 2.443 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000717698367 712665299 /nfs/dbraw/zinc/66/52/99/712665299.db2.gz DYZYKRKQMQFDAZ-SOUVJXGZSA-N 1 0 235.371 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC000717709571 712666189 /nfs/dbraw/zinc/66/61/89/712666189.db2.gz IGRSYUOFBQPLJC-MELADBBJSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CC(C)(C)C ZINC000717710705 712666389 /nfs/dbraw/zinc/66/63/89/712666389.db2.gz SBBFIUBACGAJBA-VXGBXAGGSA-N 1 0 211.349 2.175 20 30 BEEDRO CC(C)[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000380015230 712669920 /nfs/dbraw/zinc/66/99/20/712669920.db2.gz MYLLJBYENOJSFU-RYUDHWBXSA-N 1 0 210.321 2.035 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1coc2ccccc12 ZINC000717759187 712673712 /nfs/dbraw/zinc/67/37/12/712673712.db2.gz GYXIUCUVKYPJOM-ZDUSSCGKSA-N 1 0 243.306 2.297 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H]1CCCCC12CCCC2 ZINC000717760568 712673939 /nfs/dbraw/zinc/67/39/39/712673939.db2.gz NKXUVQBTIHDCBW-KBPBESRZSA-N 1 0 235.371 2.463 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](CC)Cc1ccccc1 ZINC000717762507 712674290 /nfs/dbraw/zinc/67/42/90/712674290.db2.gz BPZWLYIMCXUVLT-HZPDHXFCSA-N 1 0 245.366 2.372 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000717840105 712687018 /nfs/dbraw/zinc/68/70/18/712687018.db2.gz DGKIFZRMJMBIHJ-MELADBBJSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000717840480 712691315 /nfs/dbraw/zinc/69/13/15/712691315.db2.gz GYXXJBALAOZDDW-MGPQQGTHSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C1CCC(CCC)CC1 ZINC000717841299 712691602 /nfs/dbraw/zinc/69/16/02/712691602.db2.gz RMPQDYANRFNWQU-JXQTWKCFSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]CC1(C)CCCCCC1 ZINC000717842125 712692310 /nfs/dbraw/zinc/69/23/10/712692310.db2.gz ZPZJNEPNEPEKRS-ZDUSSCGKSA-N 1 0 223.360 2.321 20 30 BEEDRO CC#CCN(C)[C@@H](C)c1ccc(F)nc1 ZINC000930590683 712713003 /nfs/dbraw/zinc/71/30/03/712713003.db2.gz WQQTUFCPJYLUFW-JTQLQIEISA-N 1 0 206.264 2.237 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000930816386 712713329 /nfs/dbraw/zinc/71/33/29/712713329.db2.gz KRZGWUHKHCCSSW-ZDUSSCGKSA-N 1 0 239.322 2.189 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](C#N)C1 ZINC000932153964 712715653 /nfs/dbraw/zinc/71/56/53/712715653.db2.gz CNDAGMSMPTVAOR-HUUCEWRRSA-N 1 0 249.402 2.485 20 30 BEEDRO C#CCCCCC[N@@H+]1CCn2cccc2C1 ZINC000932525509 712717487 /nfs/dbraw/zinc/71/74/87/712717487.db2.gz AHGFZQRIOUKGGM-UHFFFAOYSA-N 1 0 216.328 2.497 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000081660987 712730159 /nfs/dbraw/zinc/73/01/59/712730159.db2.gz IPLRKPZNZFHIHT-UHFFFAOYSA-N 1 0 245.370 2.326 20 30 BEEDRO CNC(NCCc1csc2ccccc12)=[NH+]C ZINC000195522931 712730789 /nfs/dbraw/zinc/73/07/89/712730789.db2.gz OILWJOLQJBMGOE-UHFFFAOYSA-N 1 0 247.367 2.239 20 30 BEEDRO CC[NH+]1CCN(c2ccc(C#N)cc2C)CC1 ZINC000037732863 712753320 /nfs/dbraw/zinc/75/33/20/712753320.db2.gz GWFAFBQEZCXQDI-UHFFFAOYSA-N 1 0 229.327 2.009 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC000718300337 712755022 /nfs/dbraw/zinc/75/50/22/712755022.db2.gz PWLQQORSVRSORT-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000718300334 712755109 /nfs/dbraw/zinc/75/51/09/712755109.db2.gz PWLQQORSVRSORT-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719680368 712818794 /nfs/dbraw/zinc/81/87/94/712818794.db2.gz DYYDHGSDSGTBST-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000719648148 712820664 /nfs/dbraw/zinc/82/06/64/712820664.db2.gz PEZFRCNRGUPQMM-ZOWXZIJZSA-N 1 0 243.354 2.301 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719681490 712821228 /nfs/dbraw/zinc/82/12/28/712821228.db2.gz KMPVDYONXDKBLT-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719681360 712821426 /nfs/dbraw/zinc/82/14/26/712821426.db2.gz JNYFPXYWFKCEMQ-JTQLQIEISA-N 1 0 217.740 2.222 20 30 BEEDRO C[C@@H]1[C@@H](Nc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000719760274 712823182 /nfs/dbraw/zinc/82/31/82/712823182.db2.gz QVHYHAWOXBBBJI-SKDRFNHKSA-N 1 0 233.290 2.202 20 30 BEEDRO C[C@@H]1[C@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000719761159 712823762 /nfs/dbraw/zinc/82/37/62/712823762.db2.gz YTVTYLAUFHZFLN-BXKDBHETSA-N 1 0 233.290 2.202 20 30 BEEDRO C[C@H]1[C@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000719761175 712824218 /nfs/dbraw/zinc/82/42/18/712824218.db2.gz YTVTYLAUFHZFLN-JOYOIKCWSA-N 1 0 233.290 2.202 20 30 BEEDRO CN1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351732 712832588 /nfs/dbraw/zinc/83/25/88/712832588.db2.gz FMZYAVTYDLXHHZ-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@H](C)CC1 ZINC000720458375 712844710 /nfs/dbraw/zinc/84/47/10/712844710.db2.gz KSHKHJRMADSXFX-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO C#CCC[NH2+][C@@H](CC)c1c(C)noc1C ZINC000380294500 712862193 /nfs/dbraw/zinc/86/21/93/712862193.db2.gz CIHMBLGXWWZMFD-NSHDSACASA-N 1 0 206.289 2.355 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720850203 712871015 /nfs/dbraw/zinc/87/10/15/712871015.db2.gz NIUGVMHEHLKDQJ-XJFOESAGSA-N 1 0 221.344 2.336 20 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C=CC[NH2+][C@H](C)CNC(=O)C1=CCCCCC1 ZINC001266933754 958625244 /nfs/dbraw/zinc/62/52/44/958625244.db2.gz PJTMSLPTAGKLQU-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001266964909 958669665 /nfs/dbraw/zinc/66/96/65/958669665.db2.gz RYMAPYAOMNJPNI-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[C@H](C)[NH2+]C(C)C)C1 ZINC001267144246 958952207 /nfs/dbraw/zinc/95/22/07/958952207.db2.gz VURPIAFQTAKTCW-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)CCCCC)C1 ZINC001207343130 959176829 /nfs/dbraw/zinc/17/68/29/959176829.db2.gz KEYILFPXPZAMPV-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)C(C)(C)C ZINC001267319291 959421770 /nfs/dbraw/zinc/42/17/70/959421770.db2.gz FMTKKVVIXBKYEB-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCCCCCN1CC[NH2+][C@@H](C)C1 ZINC000308817136 959517401 /nfs/dbraw/zinc/51/74/01/959517401.db2.gz PMXZAFVKUTXCSX-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO 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C=CCC(C)(C)C(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001161333957 964574594 /nfs/dbraw/zinc/57/45/94/964574594.db2.gz YOLXONCSZVFQIT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H](C)CC ZINC001483179496 964800489 /nfs/dbraw/zinc/80/04/89/964800489.db2.gz GDSQSMSUKJVBKH-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)CCC ZINC001483262652 964948624 /nfs/dbraw/zinc/94/86/24/964948624.db2.gz YHNSMJAJPZLZLM-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CC[NH+](CC)CCO[C@@H]1CC[C@H](C#N)C1 ZINC001224922839 965091303 /nfs/dbraw/zinc/09/13/03/965091303.db2.gz DZKWHDRKCJLUAA-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1COC[C@@H]1CC ZINC000699459223 965883710 /nfs/dbraw/zinc/88/37/10/965883710.db2.gz JAURXWBZUABNBR-NWDGAFQWSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCC)C(C)(C)C1 ZINC001484929901 966525130 /nfs/dbraw/zinc/52/51/30/966525130.db2.gz HGGMCSNDAXYQTG-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC1CC1 ZINC001485129906 966548049 /nfs/dbraw/zinc/54/80/49/966548049.db2.gz NQINDUOTZRWHSQ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)/C=C(\C)C1CC1 ZINC001717400398 1165765716 /nfs/dbraw/zinc/76/57/16/1165765716.db2.gz DSWXYJLSDICRPH-ZGFRAZBVSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)CC ZINC001485267904 966566936 /nfs/dbraw/zinc/56/69/36/966566936.db2.gz XKCJSIGHODUBCB-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CC(C)C ZINC001485272342 966573329 /nfs/dbraw/zinc/57/33/29/966573329.db2.gz PHHAZXNQUMOMBN-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[N@H+](C)CC(=C)C ZINC001485309044 966581776 /nfs/dbraw/zinc/58/17/76/966581776.db2.gz MRAKLYZWKBOTIG-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO CC1(C[NH2+]Cc2cccc(OCC#N)c2)CC1 ZINC000226381012 1165782159 /nfs/dbraw/zinc/78/21/59/1165782159.db2.gz YSFCXRUUZKFNTM-UHFFFAOYSA-N 1 0 230.311 2.479 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C=CCCCCN1C[C@H]([NH3+])CC(F)(F)C1 ZINC001206117877 968075458 /nfs/dbraw/zinc/07/54/58/968075458.db2.gz YAIMHAGSQFDZLS-SNVBAGLBSA-N 1 0 218.291 2.011 20 30 BEEDRO CCCCCCCN1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001206403794 968281026 /nfs/dbraw/zinc/28/10/26/968281026.db2.gz JKDPLISBAJRZJZ-VXGBXAGGSA-N 1 0 216.344 2.328 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001252078622 968495976 /nfs/dbraw/zinc/49/59/76/968495976.db2.gz WEOROXOCIYJJMV-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)CC)C1 ZINC001206982934 968524633 /nfs/dbraw/zinc/52/46/33/968524633.db2.gz ZECNDXKXIKCAKJ-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CN(C)C1 ZINC001252137542 968608477 /nfs/dbraw/zinc/60/84/77/968608477.db2.gz YNNSSPYNFSKNJW-CQSZACIVSA-N 1 0 242.407 2.002 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H](O)CF ZINC001252139859 968610113 /nfs/dbraw/zinc/61/01/13/968610113.db2.gz SWHKIYZVKZPRPA-QWHCGFSZSA-N 1 0 249.370 2.018 20 30 BEEDRO Cc1ncccc1C[NH+]1CCC(S)CC1 ZINC001207155142 968667134 /nfs/dbraw/zinc/66/71/34/968667134.db2.gz MOUGOXUBOUSSQS-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](CCC)[C@@H](C)CC ZINC001252452820 968705860 /nfs/dbraw/zinc/70/58/60/968705860.db2.gz COQAMBIEDFSCSF-QWHCGFSZSA-N 1 0 229.364 2.060 20 30 BEEDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498175 1166083303 /nfs/dbraw/zinc/08/33/03/1166083303.db2.gz FDTBUFFXQSPWDF-SWLSCSKDSA-N 1 0 243.354 2.351 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC000227616413 1166085995 /nfs/dbraw/zinc/08/59/95/1166085995.db2.gz CLWQNLADMUYXNR-ZDUSSCGKSA-N 1 0 243.354 2.479 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](C)CCCCCCC ZINC001252465412 968720878 /nfs/dbraw/zinc/72/08/78/968720878.db2.gz GSCBTOHWVFBLFX-AWEZNQCLSA-N 1 0 243.391 2.452 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C(C)C)C1 ZINC001772542759 1166096156 /nfs/dbraw/zinc/09/61/56/1166096156.db2.gz ZFDMSSJHQPJWDI-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001772542760 1166094406 /nfs/dbraw/zinc/09/44/06/1166094406.db2.gz ZFDMSSJHQPJWDI-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C1CCC(CC)CC1 ZINC001252482998 968736034 /nfs/dbraw/zinc/73/60/34/968736034.db2.gz PTWGGFJOVPKVGK-RUXDESIVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]CCCCCCCC ZINC001252486851 968743719 /nfs/dbraw/zinc/74/37/19/968743719.db2.gz JGCYISWQZJEPOK-AWEZNQCLSA-N 1 0 243.391 2.500 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]CCCCCCC ZINC001252487363 968747493 /nfs/dbraw/zinc/74/74/93/968747493.db2.gz SBUPSORYGGTVRL-ZDUSSCGKSA-N 1 0 229.364 2.110 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@](C)(F)CC1 ZINC001252548251 968786935 /nfs/dbraw/zinc/78/69/35/968786935.db2.gz PBQCVUKWHPCZFT-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccccc1C ZINC001252549697 968789170 /nfs/dbraw/zinc/78/91/70/968789170.db2.gz HCIXXIBOYRXMGG-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccsc1 ZINC001252554624 968795444 /nfs/dbraw/zinc/79/54/44/968795444.db2.gz IRFGAKMZXRPAFC-NSHDSACASA-N 1 0 211.330 2.117 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccc(C)cc1 ZINC001252552049 968791645 /nfs/dbraw/zinc/79/16/45/968791645.db2.gz RZIGSLZTQJPIJO-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CC1CCCCC1 ZINC001252560178 968808939 /nfs/dbraw/zinc/80/89/39/968808939.db2.gz OMRHDJDKXAEQHY-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(C)c(C)c1 ZINC001252571693 968823727 /nfs/dbraw/zinc/82/37/27/968823727.db2.gz JGXMVRVFENICAI-HNNXBMFYSA-N 1 0 233.355 2.373 20 30 BEEDRO C[C@@H](CO)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000829178066 968824125 /nfs/dbraw/zinc/82/41/25/968824125.db2.gz AOGHTICCRYVMPO-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C(C)(CO)CO ZINC000129015695 1166140421 /nfs/dbraw/zinc/14/04/21/1166140421.db2.gz BICCSKHJJDFRKS-GFCCVEGCSA-N 1 0 231.380 2.068 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000132455699 1166142252 /nfs/dbraw/zinc/14/22/52/1166142252.db2.gz WDESJLVBYGJBLY-UHFFFAOYSA-N 1 0 238.709 2.058 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(CC#N)CCCC1 ZINC001252624416 968884871 /nfs/dbraw/zinc/88/48/71/968884871.db2.gz FCSALTHTPDNVFR-GFCCVEGCSA-N 1 0 222.332 2.130 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C=C2CCC2)C1 ZINC001691216710 1166161962 /nfs/dbraw/zinc/16/19/62/1166161962.db2.gz JFUPGZNEDXKYSN-UONOGXRCSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)CC(C)C ZINC001266918861 1166180164 /nfs/dbraw/zinc/18/01/64/1166180164.db2.gz IHRPPRNJFIEUQJ-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000167553760 1166186891 /nfs/dbraw/zinc/18/68/91/1166186891.db2.gz PZZIJIUBQZTLSS-NSHDSACASA-N 1 0 227.254 2.164 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](NC(=O)CCC)C(C)(C)C1 ZINC001276555303 969000619 /nfs/dbraw/zinc/00/06/19/969000619.db2.gz MZXUWQUUHQXBOP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C=C(C)C ZINC001754259217 1166195940 /nfs/dbraw/zinc/19/59/40/1166195940.db2.gz OULSDGFQMNBDLJ-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](CC)CO ZINC001253227941 969114932 /nfs/dbraw/zinc/11/49/32/969114932.db2.gz NZBKOEPQGDJDCV-ZIAGYGMSSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CC1COC1 ZINC001253227393 969116554 /nfs/dbraw/zinc/11/65/54/969116554.db2.gz IITJKSMUGRBMEY-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]CCC)C1 ZINC001208261497 969135142 /nfs/dbraw/zinc/13/51/42/969135142.db2.gz OLEXQMPRWYJQMN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CSC1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140544696 1166258426 /nfs/dbraw/zinc/25/84/26/1166258426.db2.gz ZMBNJSGBCYSSBU-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Nc2cccc(C#N)c2)C1 ZINC000227610971 1166284469 /nfs/dbraw/zinc/28/44/69/1166284469.db2.gz CWGMERCWDDXFEK-AWEZNQCLSA-N 1 0 229.327 2.454 20 30 BEEDRO N#Cc1cnc(-n2cccc2C[NH3+])c2ccccc12 ZINC001167581557 1166286440 /nfs/dbraw/zinc/28/64/40/1166286440.db2.gz FOURTOXRDSBPLI-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(F)ccc1Cl ZINC001253600998 969292575 /nfs/dbraw/zinc/29/25/75/969292575.db2.gz JCQPMOCLVBVRPZ-JTQLQIEISA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1CCC(C(C)C)CC1 ZINC001253609072 969308361 /nfs/dbraw/zinc/30/83/61/969308361.db2.gz PGLAZJVPXOMTJL-BPCQOVAHSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001253611472 969312155 /nfs/dbraw/zinc/31/21/55/969312155.db2.gz PYSFPMKHPYLTFC-YNEHKIRRSA-N 1 0 237.730 2.332 20 30 BEEDRO COCCC[N@H+](CCC#N)C1CCCC1 ZINC001209050731 969340699 /nfs/dbraw/zinc/34/06/99/969340699.db2.gz VCTFTKRHGHDGRV-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CCC[N@H+](CCC#N)C[C@H](O)C(C)(C)C ZINC001253727086 969350716 /nfs/dbraw/zinc/35/07/16/969350716.db2.gz AUNWNGKMJHVTTC-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO Cc1cnc(C[NH3+])n1-c1ccccc1CS ZINC001169031188 969353587 /nfs/dbraw/zinc/35/35/87/969353587.db2.gz ZJFGCSLRWUBGON-UHFFFAOYSA-N 1 0 233.340 2.069 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCc2cccnc21 ZINC000226830783 1166357942 /nfs/dbraw/zinc/35/79/42/1166357942.db2.gz NYRBBBAOCHWBIX-GFCCVEGCSA-N 1 0 200.285 2.072 20 30 BEEDRO C=CCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209157370 969359689 /nfs/dbraw/zinc/35/96/89/969359689.db2.gz ABJLHGUIHOUIQH-LLVKDONJSA-N 1 0 223.341 2.227 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C(=O)OC)[C@@H]1C ZINC001209160353 969360985 /nfs/dbraw/zinc/36/09/85/969360985.db2.gz SMHRJSNVSRDLFC-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001209204943 969394404 /nfs/dbraw/zinc/39/44/04/969394404.db2.gz MEWLFDHHGXUWGJ-LVEBTZEWSA-N 1 0 221.344 2.452 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)C1(C)CC1 ZINC001267314348 1166403825 /nfs/dbraw/zinc/40/38/25/1166403825.db2.gz OARARUJZWLORRX-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCCCC[N@H+]1CCCN(C)C(=O)C1 ZINC001209436589 969506024 /nfs/dbraw/zinc/50/60/24/969506024.db2.gz VUKWCFBWKYDPMP-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO CCCN(CCC#N)CCC[NH+]1CCCCC1 ZINC001209448781 969520463 /nfs/dbraw/zinc/52/04/63/969520463.db2.gz HKSWMRDQCWGECR-UHFFFAOYSA-N 1 0 237.391 2.488 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC1Cc2ccccc2C1 ZINC000584323646 1166434087 /nfs/dbraw/zinc/43/40/87/1166434087.db2.gz YMEAYCJJXJZVBN-CYBMUJFWSA-N 1 0 245.366 2.176 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001731650509 1166446499 /nfs/dbraw/zinc/44/64/99/1166446499.db2.gz QUODPCLREZNVKY-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO N#CCO[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000260337377 1166475691 /nfs/dbraw/zinc/47/56/91/1166475691.db2.gz YLFMUSSRYCKJNG-AWEZNQCLSA-N 1 0 230.311 2.191 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)CC ZINC001671270951 1166477530 /nfs/dbraw/zinc/47/75/30/1166477530.db2.gz SIEKPYJUIRXJDO-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)CCCC(C)C ZINC001691484462 1166484257 /nfs/dbraw/zinc/48/42/57/1166484257.db2.gz YIWQYUTZQKRUFT-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO N#CCC1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000261155695 1166502329 /nfs/dbraw/zinc/50/23/29/1166502329.db2.gz UOKPDQQXNXVSGG-UNTZMWQOSA-N 1 0 204.317 2.411 20 30 BEEDRO Cc1ccnc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC001254634511 969751887 /nfs/dbraw/zinc/75/18/87/969751887.db2.gz HGKGYVCILZSXHE-RYUDHWBXSA-N 1 0 215.300 2.172 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254675874 969780485 /nfs/dbraw/zinc/78/04/85/969780485.db2.gz GWPZZNYMIPTYAA-JHJVBQTASA-N 1 0 222.332 2.035 20 30 BEEDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@H](C)C1 ZINC001254678473 969784908 /nfs/dbraw/zinc/78/49/08/969784908.db2.gz FCXBRNOZOHXUCR-UMSGYPCISA-N 1 0 222.332 2.178 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254929379 969823085 /nfs/dbraw/zinc/82/30/85/969823085.db2.gz RJTURYQUCGBQML-WHOHXGKFSA-N 1 0 220.316 2.026 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001267580377 1166533636 /nfs/dbraw/zinc/53/36/36/1166533636.db2.gz VSNPNJYLGIEDGX-AWEZNQCLSA-N 1 0 248.370 2.063 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254934184 969827587 /nfs/dbraw/zinc/82/75/87/969827587.db2.gz IDSLDSJJBAHAOC-SFTQSGBHSA-N 1 0 219.328 2.136 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+]C1CCSCC1 ZINC001255084620 969916599 /nfs/dbraw/zinc/91/65/99/969916599.db2.gz WYNOUZDSSMKKCE-ZDUSSCGKSA-N 1 0 240.416 2.122 20 30 BEEDRO CC[C@@H](CC#N)N1CCC([N@H+](C)CC)CC1 ZINC001255179495 969995789 /nfs/dbraw/zinc/99/57/89/969995789.db2.gz PWJQTDRYGKWZRX-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO CC[C@H](CC#N)n1cncc1C1CC[NH2+]CC1 ZINC001255176281 969993284 /nfs/dbraw/zinc/99/32/84/969993284.db2.gz ZDNNTJNJVXMBFQ-GFCCVEGCSA-N 1 0 232.331 2.215 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C/C=C\Cl)C1 ZINC000308200245 1166580492 /nfs/dbraw/zinc/58/04/92/1166580492.db2.gz XOKDDAOAMGLWHI-ATPLWMGHSA-N 1 0 201.697 2.016 20 30 BEEDRO C[C@@H](CCCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787299 1166684549 /nfs/dbraw/zinc/68/45/49/1166684549.db2.gz LQDWYTBMFBMHLL-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000695811654 1166689366 /nfs/dbraw/zinc/68/93/66/1166689366.db2.gz JZJVSYSHGPWDTM-VWYCJHECSA-N 1 0 224.348 2.064 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]C1CC(C#N)C1 ZINC001255645066 970421196 /nfs/dbraw/zinc/42/11/96/970421196.db2.gz ZPZPMYLPWDTQME-KKMMWDRVSA-N 1 0 206.211 2.219 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@H]1CO ZINC000686677033 1166745355 /nfs/dbraw/zinc/74/53/55/1166745355.db2.gz CKURQSGMSRBCLQ-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCCCC[N@@H+](CCO)[C@H](C)CC ZINC000686682207 1166746795 /nfs/dbraw/zinc/74/67/95/1166746795.db2.gz JOTUOTPYXOWUJD-CYBMUJFWSA-N 1 0 211.349 2.273 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NC1(C#N)CCC1 ZINC001255941683 970571833 /nfs/dbraw/zinc/57/18/33/970571833.db2.gz WXQMOFZFNIHLPC-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)c1ccccc1C ZINC001713569542 1166803007 /nfs/dbraw/zinc/80/30/07/1166803007.db2.gz XOSANBAELVXAIH-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)/C=C(/C)CC ZINC001716023768 1166821972 /nfs/dbraw/zinc/82/19/72/1166821972.db2.gz MOOCJPATERIUNX-LLBKUYECSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]([NH2+]C(C)C)C1CC1 ZINC001752479634 1166860458 /nfs/dbraw/zinc/86/04/58/1166860458.db2.gz HHOULWOISNBNQX-CYBMUJFWSA-N 1 0 238.375 2.236 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CC(=O)NC ZINC000059199033 1166870740 /nfs/dbraw/zinc/87/07/40/1166870740.db2.gz UQMKNGSHUCVLLS-LLVKDONJSA-N 1 0 214.353 2.071 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]([NH2+]CC)C(C)C ZINC001753837230 1166921986 /nfs/dbraw/zinc/92/19/86/1166921986.db2.gz LAWGRYLBXKGKBF-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001716388956 1166924484 /nfs/dbraw/zinc/92/44/84/1166924484.db2.gz UWWSRQYNRLNRMO-YTRUQHMWSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(C)C1(C)C ZINC001332407578 975098978 /nfs/dbraw/zinc/09/89/78/975098978.db2.gz DHTSWARJFMDZRD-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167950139 1167007818 /nfs/dbraw/zinc/00/78/18/1167007818.db2.gz BFDGRTDOYIIHGS-RVMXOQNASA-N 1 0 204.317 2.411 20 30 BEEDRO CCCCCCCCNC(=O)CC1([NH3+])CC1 ZINC000398067463 1167040303 /nfs/dbraw/zinc/04/03/03/1167040303.db2.gz FKXFKOYRZWRSAJ-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000398105427 1167042052 /nfs/dbraw/zinc/04/20/52/1167042052.db2.gz ZEUPIASTKTVZTF-FRRDWIJNSA-N 1 0 238.375 2.236 20 30 BEEDRO CCSC[C@H](C)N1CCC[C@@H](C#N)C1 ZINC001173305689 975210948 /nfs/dbraw/zinc/21/09/48/975210948.db2.gz BGHFSXHODJDQIQ-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C=C(C)C ZINC001270347401 1167058546 /nfs/dbraw/zinc/05/85/46/1167058546.db2.gz KDJFXMBJXMRZJC-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)c1cccs1 ZINC000381983759 1167074058 /nfs/dbraw/zinc/07/40/58/1167074058.db2.gz FWSUMTQKOIHQSF-JTQLQIEISA-N 1 0 224.329 2.329 20 30 BEEDRO CCOC(=O)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173325036 975275369 /nfs/dbraw/zinc/27/53/69/975275369.db2.gz ZMGUMVHQTJNVAK-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@H]2F)CC1 ZINC001173316242 975302788 /nfs/dbraw/zinc/30/27/88/975302788.db2.gz YQWLDZUYUXRHKU-KIDURHIOSA-N 1 0 213.296 2.200 20 30 BEEDRO C[NH+](C)CCNc1ccccc1CS ZINC001161671079 1167096962 /nfs/dbraw/zinc/09/69/62/1167096962.db2.gz IYNTYJWPYXRCPO-UHFFFAOYSA-N 1 0 210.346 2.090 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1CCC(F)(F)CC1 ZINC000688285133 1167107843 /nfs/dbraw/zinc/10/78/43/1167107843.db2.gz UHVUKHUDKKMABW-UHFFFAOYSA-N 1 0 244.329 2.109 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173437631 975373162 /nfs/dbraw/zinc/37/31/62/975373162.db2.gz LIOWFIWSFKHRLA-LBPRGKRZSA-N 1 0 225.332 2.111 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CCC1=O ZINC001173592559 975442861 /nfs/dbraw/zinc/44/28/61/975442861.db2.gz TTXNJMSOPFQILN-LKSINWNRSA-N 1 0 234.343 2.370 20 30 BEEDRO CC1(C#N)CCC([NH+]2CC3(C2)CCCO3)CC1 ZINC001173593534 975457547 /nfs/dbraw/zinc/45/75/47/975457547.db2.gz KGQJQQWVLPZDFF-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CCCC[NH2+]Cc1cncn1CCC ZINC000308838419 1167204641 /nfs/dbraw/zinc/20/46/41/1167204641.db2.gz XOIHWQDVZHLIMR-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000308939310 1167225931 /nfs/dbraw/zinc/22/59/31/1167225931.db2.gz LTIFEWTTXXTOAA-MNOVXSKESA-N 1 0 209.289 2.440 20 30 BEEDRO C=CCCCCN1CC[NH2+][C@H](C(C)C)C1 ZINC000309033140 1167242761 /nfs/dbraw/zinc/24/27/61/1167242761.db2.gz CXRLHLROAHNEMQ-ZDUSSCGKSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(Cl)nc1 ZINC000309049449 1167245880 /nfs/dbraw/zinc/24/58/80/1167245880.db2.gz QAGMVMCYMGEPCY-JTQLQIEISA-N 1 0 226.707 2.026 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163186641 1167281592 /nfs/dbraw/zinc/28/15/92/1167281592.db2.gz PLPWSPQXUOYGNM-MJBXVCDLSA-N 1 0 221.344 2.025 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)CCCC ZINC001126573282 1167324147 /nfs/dbraw/zinc/32/41/47/1167324147.db2.gz JAUDCVUFFADOEJ-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cncc(C)c1 ZINC000309593377 1167330587 /nfs/dbraw/zinc/33/05/87/1167330587.db2.gz VLRFKKGZGKCFRT-YPMHNXCESA-N 1 0 220.316 2.242 20 30 BEEDRO C=CCCCCCCN1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001204819468 1167397223 /nfs/dbraw/zinc/39/72/23/1167397223.db2.gz GJSALABHGZLSLU-NEPJUHHUSA-N 1 0 214.328 2.104 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CCO[C@H](C)C#N)c(C)o1 ZINC000310136222 1167421616 /nfs/dbraw/zinc/42/16/16/1167421616.db2.gz CFRHOOUNOVGXOM-MNOVXSKESA-N 1 0 236.315 2.476 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC000721613567 977568524 /nfs/dbraw/zinc/56/85/24/977568524.db2.gz CEXCHKGZMNDPSC-ZWNOBZJWSA-N 1 0 215.300 2.231 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001336217011 977578829 /nfs/dbraw/zinc/57/88/29/977578829.db2.gz JBOFJQDRQXPRGN-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001336217007 977576196 /nfs/dbraw/zinc/57/61/96/977576196.db2.gz JBOFJQDRQXPRGN-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccccc1O ZINC000381197655 1167535025 /nfs/dbraw/zinc/53/50/25/1167535025.db2.gz BLNLRBKONIUGPN-WDEREUQCSA-N 1 0 221.300 2.244 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)F ZINC001483103770 1167549300 /nfs/dbraw/zinc/54/93/00/1167549300.db2.gz SLSLGLVHNKCFAR-GHMZBOCLSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001336769801 977936595 /nfs/dbraw/zinc/93/65/95/977936595.db2.gz DLSUALPMEIKKGG-FKJOKYEKSA-N 1 0 209.333 2.044 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000696104797 1167653393 /nfs/dbraw/zinc/65/33/93/1167653393.db2.gz MXZAYZMNUNYPOH-HZPDHXFCSA-N 1 0 248.414 2.500 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168412559 1167668712 /nfs/dbraw/zinc/66/87/12/1167668712.db2.gz QKUNNBXPYXPGCG-CQSZACIVSA-N 1 0 229.298 2.438 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2nccc(Cl)c12 ZINC001232458059 978084601 /nfs/dbraw/zinc/08/46/01/978084601.db2.gz CLXUDFGAXCVGJP-UHFFFAOYSA-N 1 0 233.702 2.281 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCc1ccccc1C[NH3+] ZINC001120451740 1167671525 /nfs/dbraw/zinc/67/15/25/1167671525.db2.gz FUNITOUIXWICCK-LBPRGKRZSA-N 1 0 246.354 2.364 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C(C)(CC)CC ZINC001176529961 978119541 /nfs/dbraw/zinc/11/95/41/978119541.db2.gz DWIDJWVGLKZFAX-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC001337236711 978237209 /nfs/dbraw/zinc/23/72/09/978237209.db2.gz NHZYBLQQRKWGGV-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC[NH2+]CCCCCCNC(C)=O ZINC001177706640 978419746 /nfs/dbraw/zinc/41/97/46/978419746.db2.gz CLJFHXKQUYEQEB-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000699435697 1167771502 /nfs/dbraw/zinc/77/15/02/1167771502.db2.gz CRULNHSECDLISJ-UONOGXRCSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CCCCC)C1 ZINC001752928731 1167781918 /nfs/dbraw/zinc/78/19/18/1167781918.db2.gz DYDIFXDNEKNDOW-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC000721995817 978600061 /nfs/dbraw/zinc/60/00/61/978600061.db2.gz HDNZUJWJWLWNHM-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)CCCC ZINC001234041548 978761063 /nfs/dbraw/zinc/76/10/63/978761063.db2.gz FKTRKIFRQKPZJW-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](C)CC ZINC001234127432 978781215 /nfs/dbraw/zinc/78/12/15/978781215.db2.gz WRECHGBYBYMURM-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO CC#CCCCC(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001277913644 978941996 /nfs/dbraw/zinc/94/19/96/978941996.db2.gz IIEXBPPHMYPEGX-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C ZINC001340591310 979040109 /nfs/dbraw/zinc/04/01/09/979040109.db2.gz RQPRCSVMDNYSMQ-UPJWGTAASA-N 1 0 238.375 2.317 20 30 BEEDRO N#CCC[N@@H+](CCO)C1CCCCCCC1 ZINC001235664324 979113468 /nfs/dbraw/zinc/11/34/68/979113468.db2.gz QWUNHAWOIAKZDT-UHFFFAOYSA-N 1 0 224.348 2.307 20 30 BEEDRO CCC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001341121030 979240449 /nfs/dbraw/zinc/24/04/49/979240449.db2.gz ONYOKVRUYPZSNC-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](CC)CCC ZINC001341397233 979370945 /nfs/dbraw/zinc/37/09/45/979370945.db2.gz CPIPNJRWOHZWIX-NEPJUHHUSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CC1(CC(=O)NCC2([NH3+])CC2)CCCCC1 ZINC001341406959 979379240 /nfs/dbraw/zinc/37/92/40/979379240.db2.gz CVIQCHGSRZPLCD-UHFFFAOYSA-N 1 0 236.359 2.121 20 30 BEEDRO C#CC[N@@H+](CCCOC(C)(C)C)C1CC1 ZINC000763959240 1168261781 /nfs/dbraw/zinc/26/17/81/1168261781.db2.gz BHPDIBBXJLQIBP-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO N#Cc1cc(Nc2cc[nH+]c(N)c2)cs1 ZINC001206542718 979658098 /nfs/dbraw/zinc/65/80/98/979658098.db2.gz FTKKOZFKLTYKLG-UHFFFAOYSA-N 1 0 216.269 2.341 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)/C(C)=C/C)CC1 ZINC001687471159 1168307826 /nfs/dbraw/zinc/30/78/26/1168307826.db2.gz GDJQDQPIIINJGK-WLRTZDKTSA-N 1 0 236.359 2.063 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCN(C(C)=O)C[C@H]1C ZINC001183650966 979859408 /nfs/dbraw/zinc/85/94/08/979859408.db2.gz VZPGLBBMWNADLG-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](C)CCN(C(=O)CC1CC1)C(C)C ZINC001486360087 1168359342 /nfs/dbraw/zinc/35/93/42/1168359342.db2.gz DTQCTVZVXLYTNP-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)c(OC)c1O ZINC001343039309 979985804 /nfs/dbraw/zinc/98/58/04/979985804.db2.gz KTISATMNXFFYBR-UHFFFAOYSA-N 1 0 237.299 2.027 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCCCC[NH+](C)C)n1 ZINC000041675635 1168425730 /nfs/dbraw/zinc/42/57/30/1168425730.db2.gz UAMXVKJIUKCSTH-UHFFFAOYSA-N 1 0 246.358 2.324 20 30 BEEDRO C=C[C@H](CC)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001344595583 980443370 /nfs/dbraw/zinc/44/33/70/980443370.db2.gz YGTJXQCYLUUCOJ-NEPJUHHUSA-N 1 0 225.332 2.367 20 30 BEEDRO CCCCCCCCOC(=O)N[C@H](C)C[NH3+] ZINC001239319571 980527607 /nfs/dbraw/zinc/52/76/07/980527607.db2.gz KRSYGAIOKKGONM-LLVKDONJSA-N 1 0 230.352 2.420 20 30 BEEDRO CCCCCCCNC(=S)N[C@@H](CC)C[NH3+] ZINC001239381411 980556195 /nfs/dbraw/zinc/55/61/95/980556195.db2.gz WIPNFYJYXLAUTG-NSHDSACASA-N 1 0 245.436 2.158 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CCCC)C1 ZINC001188942032 980724469 /nfs/dbraw/zinc/72/44/69/980724469.db2.gz QHJMGFYIXUDLPH-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001189462456 980796423 /nfs/dbraw/zinc/79/64/23/980796423.db2.gz WBVMLLNWAFJPBD-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@]1(C)C=CCC1 ZINC001132505795 1168563245 /nfs/dbraw/zinc/56/32/45/1168563245.db2.gz DEHZMVILYYOPHW-CQSZACIVSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(CC)C(=O)N(C)CCCn1ccnc1C ZINC001346701937 980888336 /nfs/dbraw/zinc/88/83/36/980888336.db2.gz YEVDITWQSFPNMC-UHFFFAOYSA-N 1 0 235.331 2.006 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133712613 1168575837 /nfs/dbraw/zinc/57/58/37/1168575837.db2.gz HYPWYOVIGFRANH-QWRGUYRKSA-N 1 0 246.782 2.268 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC(=C)C ZINC001134481092 1168590282 /nfs/dbraw/zinc/59/02/82/1168590282.db2.gz RYKQOCOYGYXGIX-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171184599 1168651553 /nfs/dbraw/zinc/65/15/53/1168651553.db2.gz NLEGVKVTJVUBKR-CQDKDKBSSA-N 1 0 244.338 2.256 20 30 BEEDRO CC[C@H](COC)[NH2+]C1CCC(CC#N)CC1 ZINC001173334759 1168687802 /nfs/dbraw/zinc/68/78/02/1168687802.db2.gz WQSUDHICUUBFSK-OTTFEQOBSA-N 1 0 224.348 2.473 20 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30 BEEDRO N#CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198686068 1168826154 /nfs/dbraw/zinc/82/61/54/1168826154.db2.gz QZFCQSAJEOXFFD-OLZOCXBDSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCC[N@H+](C)CCCNC(=O)[C@H]1CC1(C)C ZINC001490179131 1168855338 /nfs/dbraw/zinc/85/53/38/1168855338.db2.gz KZCDZIYQQVSQFJ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1CCO[C@H]1CCOC1 ZINC001198414455 982701680 /nfs/dbraw/zinc/70/16/80/982701680.db2.gz RZGFLPMNIMTRDI-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001252554005 1168878030 /nfs/dbraw/zinc/87/80/30/1168878030.db2.gz ACFWWPILJPTNMY-DZGCQCFKSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001252555669 1168880922 /nfs/dbraw/zinc/88/09/22/1168880922.db2.gz ZWEKWIIISVFYDE-GJZGRUSLSA-N 1 0 247.338 2.077 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2c1cccc2F ZINC001137057998 1168913437 /nfs/dbraw/zinc/91/34/37/1168913437.db2.gz ZUNTZHVESGMTPM-UHFFFAOYSA-N 1 0 216.259 2.372 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CC[C@H](C2CC2)O1 ZINC001353354718 982846440 /nfs/dbraw/zinc/84/64/40/982846440.db2.gz SMCMNNKWNVJEIT-HUUCEWRRSA-N 1 0 233.355 2.289 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCN2CCC(C)CC2)C1 ZINC000886362903 1168980848 /nfs/dbraw/zinc/98/08/48/1168980848.db2.gz RSTDITBGNMFJEE-HNNXBMFYSA-N 1 0 234.387 2.064 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCCn2ccnc2C)C1 ZINC000886362827 1168981011 /nfs/dbraw/zinc/98/10/11/1168981011.db2.gz PEQCTGXHURDQFW-OAHLLOKOSA-N 1 0 245.370 2.317 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000717847488 1169033446 /nfs/dbraw/zinc/03/34/46/1169033446.db2.gz GXBYSRRWIMGDKI-AWEZNQCLSA-N 1 0 242.322 2.032 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)C(CC)CC ZINC001275772829 1169055360 /nfs/dbraw/zinc/05/53/60/1169055360.db2.gz IQBGXVCYESJSAN-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCCCN1CC2(C1)CC[N@@H+](C)C2 ZINC001276036147 1169064881 /nfs/dbraw/zinc/06/48/81/1169064881.db2.gz POCCRWQIHFCXQV-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO N#CCC1CC[NH+](CCc2ccns2)CC1 ZINC000719864779 1169068368 /nfs/dbraw/zinc/06/83/68/1169068368.db2.gz HTOIBPFSHSMLFI-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@](C)(CO)[C@H](O)C1 ZINC001201761336 983463774 /nfs/dbraw/zinc/46/37/74/983463774.db2.gz ASELRVSKPJGDDM-KGLIPLIRSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@H]1COC ZINC001201797664 983475111 /nfs/dbraw/zinc/47/51/11/983475111.db2.gz BNWBZTOBNIZHAC-CYBMUJFWSA-N 1 0 229.364 2.304 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C ZINC001201798027 983477021 /nfs/dbraw/zinc/47/70/21/983477021.db2.gz LTRPBVLHBOSGEQ-STQMWFEESA-N 1 0 210.365 2.345 20 30 BEEDRO CCCCCCCC[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001201804853 983479758 /nfs/dbraw/zinc/47/97/58/983479758.db2.gz VCYARPZERVRYRS-AWEZNQCLSA-N 1 0 243.391 2.430 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H]1CCO ZINC000686678212 1169109004 /nfs/dbraw/zinc/10/90/04/1169109004.db2.gz PMCKJKVZBRAGCP-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCC)[C@@H]1C ZINC001489287802 983710867 /nfs/dbraw/zinc/71/08/67/983710867.db2.gz WUJYOVCGRPUPQD-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]CCC1CCCCC1 ZINC001252483528 983797402 /nfs/dbraw/zinc/79/74/02/983797402.db2.gz VJXTZVUOFRNKBN-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccccc1F ZINC001252586614 983837292 /nfs/dbraw/zinc/83/72/92/983837292.db2.gz KJQMNFCMXZQFDA-ZDUSSCGKSA-N 1 0 237.318 2.285 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1ccncc1 ZINC001252616310 983851257 /nfs/dbraw/zinc/85/12/57/983851257.db2.gz NIOKEZJEENGBPR-ZIAGYGMSSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CC12CCCC2 ZINC001252620271 983855132 /nfs/dbraw/zinc/85/51/32/983855132.db2.gz SQFJXLSWNAPPFI-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000130478075 984037165 /nfs/dbraw/zinc/03/71/65/984037165.db2.gz WHUUNCWKHBZXDC-JTQLQIEISA-N 1 0 203.285 2.286 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C=C(C)C ZINC001495996367 984037519 /nfs/dbraw/zinc/03/75/19/984037519.db2.gz LNOVXBLDJDJODT-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC(C)(C)c1nc([C@@H]2C[NH+]3CCC2CC3)no1 ZINC000351084970 1169206205 /nfs/dbraw/zinc/20/62/05/1169206205.db2.gz QKDBMCHGSKEWTG-LLVKDONJSA-N 1 0 247.342 2.342 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000379813303 1169232698 /nfs/dbraw/zinc/23/26/98/1169232698.db2.gz BBBKZMRXRQNOKR-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000379813305 1169232947 /nfs/dbraw/zinc/23/29/47/1169232947.db2.gz BBBKZMRXRQNOKR-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001254644126 1169235605 /nfs/dbraw/zinc/23/56/05/1169235605.db2.gz UVMLCPWXSPAJBI-KBPBESRZSA-N 1 0 248.370 2.475 20 30 BEEDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC001254649372 1169237042 /nfs/dbraw/zinc/23/70/42/1169237042.db2.gz SIPNHNARQJYCJU-RYUDHWBXSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CCOCC ZINC001172416656 974686463 /nfs/dbraw/zinc/68/64/63/974686463.db2.gz NYYGZZFVPHVEDE-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1(C#N)CCC1 ZINC001172477209 974774688 /nfs/dbraw/zinc/77/46/88/974774688.db2.gz XFSPTWCOFCIEMK-LLVKDONJSA-N 1 0 205.305 2.352 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@@H](C)CCCC#N ZINC001172477857 974777263 /nfs/dbraw/zinc/77/72/63/974777263.db2.gz AUIUHODIPALUCZ-VIFPVBQESA-N 1 0 221.304 2.463 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCCCN1C ZINC001172480251 974778533 /nfs/dbraw/zinc/77/85/33/974778533.db2.gz NDJLKODMZDETQW-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC001117746013 1169303226 /nfs/dbraw/zinc/30/32/26/1169303226.db2.gz ONMRZUSXXGXAAV-CQSZACIVSA-N 1 0 221.344 2.457 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1(c2cnccn2)CC1 ZINC001172486232 974790303 /nfs/dbraw/zinc/79/03/03/974790303.db2.gz CLOSSXHTAMDHHG-LLVKDONJSA-N 1 0 230.315 2.138 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]CCCS ZINC001172442526 974802440 /nfs/dbraw/zinc/80/24/40/974802440.db2.gz LBSRZCAXJYXQPD-SNVBAGLBSA-N 1 0 205.367 2.100 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)CCC#N)C1(C)C ZINC001327327385 972549957 /nfs/dbraw/zinc/54/99/57/972549957.db2.gz KDPGXCQBWRVURW-GMXVVIOVSA-N 1 0 224.348 2.472 20 30 BEEDRO N#Cc1cc(F)cc(CN2CC[C@H]3OCC[C@H]32)c1 ZINC001139877852 1169367500 /nfs/dbraw/zinc/36/75/00/1169367500.db2.gz VVZBGEPJTZRXSP-ZIAGYGMSSA-N 1 0 246.285 2.061 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CC1 ZINC001171175339 972803570 /nfs/dbraw/zinc/80/35/70/972803570.db2.gz JPBNTNCLOKVPQD-LLVKDONJSA-N 1 0 214.312 2.489 20 30 BEEDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1ncccc1C#N ZINC001155021276 1169418248 /nfs/dbraw/zinc/41/82/48/1169418248.db2.gz VNIPQPXKGRKIGQ-AAEUAGOBSA-N 1 0 244.342 2.001 20 30 BEEDRO C=C(C)CCCO[C@@H](C)C[N+](C)(C)C ZINC001224282999 973508253 /nfs/dbraw/zinc/50/82/53/973508253.db2.gz XGGBVDPDASBWTG-LBPRGKRZSA-N 1 0 200.346 2.454 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH+]1CCC(C#N)CC1 ZINC001256408807 970814731 /nfs/dbraw/zinc/81/47/31/970814731.db2.gz DSEDLYPKAAEJGR-GFCCVEGCSA-N 1 0 229.327 2.248 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C(C)(C)C1CCCC1 ZINC001129625282 970864600 /nfs/dbraw/zinc/86/46/00/970864600.db2.gz ZWLSOCGPNFYQMJ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[N@@H+](C)CC(C)C ZINC001329452177 973783349 /nfs/dbraw/zinc/78/33/49/973783349.db2.gz YPSFKJQTAGKVLR-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc([C@@H]2C[C@H]2C)o1 ZINC001256698430 970924731 /nfs/dbraw/zinc/92/47/31/970924731.db2.gz GIJUUBKAIVJVLL-MWLCHTKSSA-N 1 0 233.315 2.302 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+]CC(C)(C)S ZINC001256724303 970944936 /nfs/dbraw/zinc/94/49/36/970944936.db2.gz RRBQCWDOMUWLQB-SNVBAGLBSA-N 1 0 224.373 2.311 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccncc2)C1 ZINC001256745106 970979952 /nfs/dbraw/zinc/97/99/52/970979952.db2.gz GPXFNIOESDYBNM-ZIAGYGMSSA-N 1 0 228.339 2.358 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256788060 970988893 /nfs/dbraw/zinc/98/88/93/970988893.db2.gz YWAVXMYCSNGWOX-UONOGXRCSA-N 1 0 215.296 2.130 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](C)C(CC)CC ZINC001130570197 971006913 /nfs/dbraw/zinc/00/69/13/971006913.db2.gz NELZZHJFUQHMHJ-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO N#CC1(CN[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256905155 971020934 /nfs/dbraw/zinc/02/09/34/971020934.db2.gz QIGQMKQVPVCFBD-ZDUSSCGKSA-N 1 0 247.386 2.287 20 30 BEEDRO N#CC1CCC([NH2+]CC2(F)CCOCC2)CC1 ZINC001256956253 971029700 /nfs/dbraw/zinc/02/97/00/971029700.db2.gz NQNCQNLSLMNPDH-UHFFFAOYSA-N 1 0 240.322 2.177 20 30 BEEDRO CCc1cc(-n2c[nH+]c(C)c2N)ccc1C#N ZINC001216316376 971029838 /nfs/dbraw/zinc/02/98/38/971029838.db2.gz PRNPQLVLBKYCOJ-UHFFFAOYSA-N 1 0 226.283 2.197 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CC[C@@]1(C)O ZINC001256963369 971038056 /nfs/dbraw/zinc/03/80/56/971038056.db2.gz GSGKVZKAGCKKJY-GFJIZPEISA-N 1 0 236.359 2.162 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2C[C@@H]2C2CC2)CC1 ZINC001256964040 971037403 /nfs/dbraw/zinc/03/74/03/971037403.db2.gz ULKOAQRSYFFAMU-BVIDSFGJSA-N 1 0 204.317 2.457 20 30 BEEDRO Cc1cc(C[N@H+](C)C2CCC(C#N)CC2)n(C)n1 ZINC001256969075 971045226 /nfs/dbraw/zinc/04/52/26/971045226.db2.gz ZSZXUAHWRWRHQR-UHFFFAOYSA-N 1 0 246.358 2.243 20 30 BEEDRO CC(C)[N@H+](CCCO)C1CCC(C#N)CC1 ZINC001256968625 971045514 /nfs/dbraw/zinc/04/55/14/971045514.db2.gz JARROBMRMNPSDH-UHFFFAOYSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@]1(O)CCCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256965701 971046101 /nfs/dbraw/zinc/04/61/01/971046101.db2.gz XVYXSXWRVKCXBV-JXQTWKCFSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CC1CCC([NH+]2CCC(C#N)CC2)CC1 ZINC001256965322 971046351 /nfs/dbraw/zinc/04/63/51/971046351.db2.gz REBFTHUBCYWHCJ-UHFFFAOYSA-N 1 0 217.316 2.304 20 30 BEEDRO CC(C)(C)N1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256970309 971048481 /nfs/dbraw/zinc/04/84/81/971048481.db2.gz XSOJPMXCBHQTPR-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256972743 971048572 /nfs/dbraw/zinc/04/85/72/971048572.db2.gz FGOPFDCESIJMJH-CPCZMJQVSA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@@H+]1C[C@@H]2CCCN(C3CCC(C#N)CC3)[C@@H]2C1 ZINC001256970082 971052478 /nfs/dbraw/zinc/05/24/78/971052478.db2.gz SRQAZVMQMADJQL-OOJKYFRXSA-N 1 0 247.386 2.095 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(F)c(C#N)c2F)CC1 ZINC001208857713 1169508786 /nfs/dbraw/zinc/50/87/86/1169508786.db2.gz PMQFDFRYYTXCPM-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC001257026844 971069083 /nfs/dbraw/zinc/06/90/83/971069083.db2.gz IBLNISUSFOFSQM-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO C[C@H]1C[N@H+](CCCc2ccc(C#N)cc2)CCO1 ZINC001208855797 1169510875 /nfs/dbraw/zinc/51/08/75/1169510875.db2.gz HOUFDTHDUIPQOX-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CC[C@@H](C(=O)OCC)C2)CC1 ZINC001257063445 971085518 /nfs/dbraw/zinc/08/55/18/971085518.db2.gz HIGBNZSPOXMBNP-ZIAGYGMSSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404013755 971100782 /nfs/dbraw/zinc/10/07/82/971100782.db2.gz QQQQRZQTUHPDOY-UHFFFAOYSA-N 1 0 248.326 2.153 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC001148882333 973898065 /nfs/dbraw/zinc/89/80/65/973898065.db2.gz XNRULFKBTGLZRE-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)C2)C[C@H](C)O1 ZINC001257100366 971116505 /nfs/dbraw/zinc/11/65/05/971116505.db2.gz WXZNMGIRUQOSCU-YVECIDJPSA-N 1 0 222.332 2.178 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCN(C(C)C)CC1 ZINC001257207889 971127366 /nfs/dbraw/zinc/12/73/66/971127366.db2.gz AJHDJKFJTZXNFM-AWEZNQCLSA-N 1 0 222.376 2.251 20 30 BEEDRO CC(C)[NH+]1CCC(N[C@](C)(C#N)C(C)C)CC1 ZINC001257206512 971128904 /nfs/dbraw/zinc/12/89/04/971128904.db2.gz YSTBDVBPWUXEHU-CQSZACIVSA-N 1 0 237.391 2.387 20 30 BEEDRO CC(C)[NH+]1CCC(N[C@@](C)(C#N)C(C)C)CC1 ZINC001257206509 971129430 /nfs/dbraw/zinc/12/94/30/971129430.db2.gz YSTBDVBPWUXEHU-AWEZNQCLSA-N 1 0 237.391 2.387 20 30 BEEDRO C#C[C@@H](CCCCC)OCC[N+](C)(C)C ZINC001224770962 973939334 /nfs/dbraw/zinc/93/93/34/973939334.db2.gz DFYMLCVUQHUGJB-ZDUSSCGKSA-N 1 0 212.357 2.291 20 30 BEEDRO CCC[C@H](CC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001257251362 971147281 /nfs/dbraw/zinc/14/72/81/971147281.db2.gz NIHYXPBGNFTZSV-LBPRGKRZSA-N 1 0 247.342 2.070 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000404576623 971176274 /nfs/dbraw/zinc/17/62/74/971176274.db2.gz QOJYIHHHKHJVAP-UHFFFAOYSA-N 1 0 248.305 2.110 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(F)c(C#N)c1F ZINC001211251252 1169532099 /nfs/dbraw/zinc/53/20/99/1169532099.db2.gz XDWRNXTXKVUDBE-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO C#CCOc1ccc(Nc2c[nH+]cn2C)cc1 ZINC001211250700 1169532512 /nfs/dbraw/zinc/53/25/12/1169532512.db2.gz NAFYCMNEUJAQTF-UHFFFAOYSA-N 1 0 227.267 2.176 20 30 BEEDRO N#CCC1(C[NH+]2CCC(F)(F)CC2)CC1 ZINC000404786139 971182522 /nfs/dbraw/zinc/18/25/22/971182522.db2.gz APMUCRSHBRTAOS-UHFFFAOYSA-N 1 0 214.259 2.411 20 30 BEEDRO N#Cc1cnccc1-c1ccc(CC[NH3+])cc1 ZINC001244336416 971195352 /nfs/dbraw/zinc/19/53/52/971195352.db2.gz ZXYWJUPGNUKMNX-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001086673299 971241020 /nfs/dbraw/zinc/24/10/20/971241020.db2.gz ZVJJICPMCAKCLT-GXTWGEPZSA-N 1 0 248.370 2.157 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000809682879 971279228 /nfs/dbraw/zinc/27/92/28/971279228.db2.gz HBZUUZYZTSBVOU-GFCCVEGCSA-N 1 0 239.322 2.496 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)OC1CC[NH+](C)CC1 ZINC001222509264 972534794 /nfs/dbraw/zinc/53/47/94/972534794.db2.gz KCVSIZCTXMZXIK-LBPRGKRZSA-N 1 0 239.435 2.367 20 30 BEEDRO CCCCOC(=O)CC[C@H](C)[NH2+]CCS ZINC001257388503 971298030 /nfs/dbraw/zinc/29/80/30/971298030.db2.gz NOSPTEFYQKDIAC-JTQLQIEISA-N 1 0 233.377 2.018 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)/C=C/C2CC2)CC[C@H]1C ZINC001131939212 971298845 /nfs/dbraw/zinc/29/88/45/971298845.db2.gz OKECHAPQIMGUAO-WGDOYQSBSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)CCC(=O)OCCCC ZINC001257400458 971299922 /nfs/dbraw/zinc/29/99/22/971299922.db2.gz PWYRHOAVAXJWHI-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO Cc1ccc(-c2ccnc(C[NH3+])c2)cc1C#N ZINC001244495362 971301632 /nfs/dbraw/zinc/30/16/32/971301632.db2.gz SDHASVREOFAEOH-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)C(=C)C ZINC001132304106 971331758 /nfs/dbraw/zinc/33/17/58/971331758.db2.gz FSGPWYBCJYZUPV-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO N#Cc1ccc(F)c(-c2cccc(C[NH3+])n2)c1 ZINC001244555562 971335825 /nfs/dbraw/zinc/33/58/25/971335825.db2.gz UFKHLUGGJOKJNG-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCCCCF ZINC001132391635 971344942 /nfs/dbraw/zinc/34/49/42/971344942.db2.gz MMLFPFNLSDZNDY-UHFFFAOYSA-N 1 0 244.354 2.044 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCCC(C)C ZINC001132392254 971344967 /nfs/dbraw/zinc/34/49/67/971344967.db2.gz ZOOOEYSRNRLIBM-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CC(C)=C(C)C ZINC001132449973 971357862 /nfs/dbraw/zinc/35/78/62/971357862.db2.gz GURBQWZBPZUDDW-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)CCCF ZINC001132460990 971361601 /nfs/dbraw/zinc/36/16/01/971361601.db2.gz QXBAJXUGMIBXJC-UHFFFAOYSA-N 1 0 244.354 2.188 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CN(C(=O)CC)CC[C@@H]1C ZINC001132570669 971380076 /nfs/dbraw/zinc/38/00/76/971380076.db2.gz AHQBZCIHYRSFGT-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CN(C(C)=O)CC[C@H]1C ZINC001132572314 971383244 /nfs/dbraw/zinc/38/32/44/971383244.db2.gz VBNGPQZJYLABTH-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CCC(=C)C ZINC001132573888 971384786 /nfs/dbraw/zinc/38/47/86/971384786.db2.gz RTWWHZLEGDZCBT-CHWSQXEVSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CCC(C)C ZINC001132577694 971385199 /nfs/dbraw/zinc/38/51/99/971385199.db2.gz YXPIQSHPIRFTIT-QWHCGFSZSA-N 1 0 240.391 2.197 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CCCC1CC1 ZINC001132600122 971387171 /nfs/dbraw/zinc/38/71/71/971387171.db2.gz JUBIAXUDQSMYED-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO CC#CCCCC(=O)NCC[NH2+]CCCCC ZINC001132592958 971388034 /nfs/dbraw/zinc/38/80/34/971388034.db2.gz JWKXABSWWHLJPN-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CCC1(C)C ZINC001132636056 971392165 /nfs/dbraw/zinc/39/21/65/971392165.db2.gz MXEZTVPLHCRCFC-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)CC(=C)C ZINC001132653038 971397114 /nfs/dbraw/zinc/39/71/14/971397114.db2.gz CNMYDLRNEPOZJX-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]C[C@H](F)CC ZINC001132660233 971397133 /nfs/dbraw/zinc/39/71/33/971397133.db2.gz KVLBYNOVOYFLRE-VXGBXAGGSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC(=C)Cl ZINC001132660916 971397930 /nfs/dbraw/zinc/39/79/30/971397930.db2.gz WSDDVASLRNGVFF-JTQLQIEISA-N 1 0 244.766 2.047 20 30 BEEDRO C#CCOCCOCC[NH2+][C@H](C)CCCCC ZINC001257504831 971425284 /nfs/dbraw/zinc/42/52/84/971425284.db2.gz PKXNJZZHOKFVGR-CQSZACIVSA-N 1 0 241.375 2.211 20 30 BEEDRO C[C@@H](C#N)N(C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640309 974136422 /nfs/dbraw/zinc/13/64/22/974136422.db2.gz BTVCCIXGNQKVHT-NSHDSACASA-N 1 0 237.391 2.482 20 30 BEEDRO N#Cc1ccc(C(=[NH2+])N[C@H]2CCCSC2)cc1 ZINC001257659873 971458967 /nfs/dbraw/zinc/45/89/67/971458967.db2.gz QIDXRBWDISMWMT-LBPRGKRZSA-N 1 0 245.351 2.159 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCCC=C ZINC001133144945 971461501 /nfs/dbraw/zinc/46/15/01/971461501.db2.gz ISOFHFIEWNWWOQ-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CC[C@H](CCC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217867842 971461845 /nfs/dbraw/zinc/46/18/45/971461845.db2.gz WCDNNHZIWWFCMF-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)CC ZINC001133167252 971465004 /nfs/dbraw/zinc/46/50/04/971465004.db2.gz BZFOBZZUAKKKNP-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(C)(C)CCC ZINC001133179231 971469303 /nfs/dbraw/zinc/46/93/03/971469303.db2.gz LLXJMIWVEDQCPB-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO N#CC[C@@H](OCCC[NH3+])c1ccccc1 ZINC001217879382 971475075 /nfs/dbraw/zinc/47/50/75/971475075.db2.gz RXGMULMOPJESSV-GFCCVEGCSA-N 1 0 204.273 2.007 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC ZINC001133418591 971514604 /nfs/dbraw/zinc/51/46/04/971514604.db2.gz LPDYIHSBBFQGLX-VHSXEESVSA-N 1 0 232.755 2.022 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC ZINC001133418058 971515419 /nfs/dbraw/zinc/51/54/19/971515419.db2.gz HGNFXRLFEDSOPI-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC(C)([NH3+])C3)C[C@H](C1)C2 ZINC001257890614 971521806 /nfs/dbraw/zinc/52/18/06/971521806.db2.gz ZZZODNWKNKVXDO-FUNVUKJBSA-N 1 0 220.360 2.154 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H](CO)C3)C[C@H](C1)C2 ZINC001257888462 971522030 /nfs/dbraw/zinc/52/20/30/971522030.db2.gz OEJSISPVPAVCMM-SISPYFCUSA-N 1 0 235.371 2.482 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+]3C[C@H](O)[C@@H](C)C3)C[C@H](C1)C2 ZINC001257891333 971522591 /nfs/dbraw/zinc/52/25/91/971522591.db2.gz HIEQPELXZKWIHZ-WQKZHXONSA-N 1 0 235.371 2.434 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C3(CN)CC3)C[C@H](C1)C2 ZINC001257890318 971522687 /nfs/dbraw/zinc/52/26/87/971522687.db2.gz UMGHUZIJLWDVTR-FUNVUKJBSA-N 1 0 220.360 2.202 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3[C@@H]4COC[C@@H]43)C[C@H](C1)C2 ZINC001257888664 971523722 /nfs/dbraw/zinc/52/37/22/971523722.db2.gz WRLABYZALHLUPO-RWFPKWESSA-N 1 0 233.355 2.356 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCc1ccc(N)cc1 ZINC001217927809 971531992 /nfs/dbraw/zinc/53/19/92/971531992.db2.gz XQLSCLVVLHXGAW-HUUCEWRRSA-N 1 0 246.354 2.482 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCC2(COC2)CC1 ZINC001257900170 971534053 /nfs/dbraw/zinc/53/40/53/971534053.db2.gz RHFZUKWIPZQSTA-CYBMUJFWSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CCC1 ZINC001133465457 971539396 /nfs/dbraw/zinc/53/93/96/971539396.db2.gz NTHGPAPSLOQPMB-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(F)F ZINC001133451350 971541982 /nfs/dbraw/zinc/54/19/82/971541982.db2.gz DMYLLRCSOGACOJ-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257949445 971545586 /nfs/dbraw/zinc/54/55/86/971545586.db2.gz BYMMFSNCSFYIKF-NSHDSACASA-N 1 0 223.703 2.419 20 30 BEEDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(C#N)c(C)c2C)C1 ZINC001217956514 971545623 /nfs/dbraw/zinc/54/56/23/971545623.db2.gz TUVKJIIYOTVSQR-BETUJISGSA-N 1 0 230.311 2.304 20 30 BEEDRO C#CCC[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257952626 971546304 /nfs/dbraw/zinc/54/63/04/971546304.db2.gz JTBZIZPOBIRFQV-GFCCVEGCSA-N 1 0 235.714 2.256 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]C[C@H]2C)cc(C)c1C#N ZINC001217965531 971548207 /nfs/dbraw/zinc/54/82/07/971548207.db2.gz SOHVNGCVPCIQEP-RISCZKNCSA-N 1 0 230.311 2.162 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC1 ZINC001133483172 971551529 /nfs/dbraw/zinc/55/15/29/971551529.db2.gz TXHHVJYYVKZYLQ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO Cc1cccc(C#N)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217970268 971554042 /nfs/dbraw/zinc/55/40/42/971554042.db2.gz KEFXACWCACWIKD-CYBMUJFWSA-N 1 0 230.311 2.388 20 30 BEEDRO CC[C@@](C)(C#N)NC1CC[NH+](CC(C)C)CC1 ZINC001258006633 971554337 /nfs/dbraw/zinc/55/43/37/971554337.db2.gz JWCJMSPPONXZHL-AWEZNQCLSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)C ZINC001133541605 971559586 /nfs/dbraw/zinc/55/95/86/971559586.db2.gz YKFMJUVDPGVXEY-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC ZINC001133555932 971563673 /nfs/dbraw/zinc/56/36/73/971563673.db2.gz QYUHRPZENDYUGX-MNOVXSKESA-N 1 0 246.782 2.412 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CC1(O)COC1 ZINC001258042742 971563600 /nfs/dbraw/zinc/56/36/00/971563600.db2.gz XANUKDXGNXUTTC-LBPRGKRZSA-N 1 0 229.364 2.086 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC001258045336 971569894 /nfs/dbraw/zinc/56/98/94/971569894.db2.gz ZISWQUWQTJSWKL-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CCc1cccc(O[C@@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218001481 971564568 /nfs/dbraw/zinc/56/45/68/971564568.db2.gz WRZXJHLVMQAHOU-QWHCGFSZSA-N 1 0 221.275 2.104 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[NH2+]CCCCC)C1 ZINC001133565710 971566137 /nfs/dbraw/zinc/56/61/37/971566137.db2.gz IBHQBTDQVRRECQ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C=C(C)C ZINC001133582991 971569988 /nfs/dbraw/zinc/56/99/88/971569988.db2.gz YAACLCSYLUKAQS-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC001258045335 971571146 /nfs/dbraw/zinc/57/11/46/971571146.db2.gz ZISWQUWQTJSWKL-KGLIPLIRSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C=C(C)C ZINC001133590152 971571737 /nfs/dbraw/zinc/57/17/37/971571737.db2.gz GHHATGXMRHSSRQ-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218020271 971572790 /nfs/dbraw/zinc/57/27/90/971572790.db2.gz LLICCIUCYKHIJT-AAEUAGOBSA-N 1 0 248.301 2.370 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001133658751 971584467 /nfs/dbraw/zinc/58/44/67/971584467.db2.gz SNWPHTZPYAVZGU-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C(F)=C(C)C)CC1 ZINC001226832468 1169612587 /nfs/dbraw/zinc/61/25/87/1169612587.db2.gz UMRMYJOFRVHEGS-UHFFFAOYSA-N 1 0 240.322 2.016 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001133661782 971589843 /nfs/dbraw/zinc/58/98/43/971589843.db2.gz DUMFLSPXYORJHS-NEPJUHHUSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC ZINC001133707904 971591478 /nfs/dbraw/zinc/59/14/78/971591478.db2.gz MUUOCAZUCLWHIW-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133758343 971598013 /nfs/dbraw/zinc/59/80/13/971598013.db2.gz IZIXDQGPEGHIGF-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(CC)CC ZINC001133768648 971598801 /nfs/dbraw/zinc/59/88/01/971598801.db2.gz ICAYJBOLNIUGEU-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)n1c2ccccc2nc1O[C@H]1CC[NH2+]C1 ZINC001218176080 971609717 /nfs/dbraw/zinc/60/97/17/971609717.db2.gz FFTZXNWGJMCCRW-NSHDSACASA-N 1 0 243.310 2.268 20 30 BEEDRO N#Cc1ccc2cc(O[C@H]3CC[NH2+]C3)ccc2c1 ZINC001218179707 971610953 /nfs/dbraw/zinc/61/09/53/971610953.db2.gz HNVKOADZPWNMGV-HNNXBMFYSA-N 1 0 238.290 2.452 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(=O)N(CC)CC)C1CC1 ZINC000747867109 971615910 /nfs/dbraw/zinc/61/59/10/971615910.db2.gz OOSLXUIVYPNWCN-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc2ccc(O[C@H]3CC[NH2+]C3)cc2c1 ZINC001218184018 971621748 /nfs/dbraw/zinc/62/17/48/971621748.db2.gz WYPJFYUJRTYHFG-HNNXBMFYSA-N 1 0 238.290 2.452 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(OC)c(C)c1 ZINC001218206654 971626393 /nfs/dbraw/zinc/62/63/93/971626393.db2.gz DRJVMAGLRZCIJE-AWEZNQCLSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc2ccccc2n1C ZINC001218203951 971627074 /nfs/dbraw/zinc/62/70/74/971627074.db2.gz KKAZSQJXZBNUKD-AWEZNQCLSA-N 1 0 242.322 2.475 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc2ccccc2n1C ZINC001218203953 971627761 /nfs/dbraw/zinc/62/77/61/971627761.db2.gz KKAZSQJXZBNUKD-CQSZACIVSA-N 1 0 242.322 2.475 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(OC)ccc1C ZINC001218208231 971630933 /nfs/dbraw/zinc/63/09/33/971630933.db2.gz YSQOTSKTWMAVOM-CQSZACIVSA-N 1 0 233.311 2.301 20 30 BEEDRO C#CCOCC[N@H+](C)CCCC1CCC1 ZINC001330557890 974311722 /nfs/dbraw/zinc/31/17/22/974311722.db2.gz CFEDHQQSWYODSJ-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CCC1 ZINC001134026701 971649588 /nfs/dbraw/zinc/64/95/88/971649588.db2.gz RXNKWEOXEIDIMJ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C\C ZINC001134051419 971655226 /nfs/dbraw/zinc/65/52/26/971655226.db2.gz JLRZRJRRPNRPFH-CUOXCHRPSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C\C ZINC001134047745 971655921 /nfs/dbraw/zinc/65/59/21/971655921.db2.gz RFPGCJWGVYPSAA-MENMGGHXSA-N 1 0 238.375 2.402 20 30 BEEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(CC#N)cc1 ZINC001225268363 974329782 /nfs/dbraw/zinc/32/97/82/974329782.db2.gz WLCJNJRLEFZYID-GFCCVEGCSA-N 1 0 233.335 2.226 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@@H]1CCC[NH2+]C1 ZINC001218284269 971679002 /nfs/dbraw/zinc/67/90/02/971679002.db2.gz TWISBNKWVCNYLD-HGLKBHAMSA-N 1 0 234.299 2.016 20 30 BEEDRO C=Cc1ccc(C(=O)NCC[NH2+]CC(=C)C)cc1 ZINC001134202029 971682992 /nfs/dbraw/zinc/68/29/92/971682992.db2.gz IISVVGGFYGXNBC-UHFFFAOYSA-N 1 0 244.338 2.225 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([NH2+]Cc3ccc(C#N)nc3)C[C@@H]21 ZINC001170738820 971692123 /nfs/dbraw/zinc/69/21/23/971692123.db2.gz OXRVVSAMXSAANF-BTTYYORXSA-N 1 0 241.338 2.477 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2F)cc(C)c1C#N ZINC001218319113 971706842 /nfs/dbraw/zinc/70/68/42/971706842.db2.gz KZFUGPBTLOGUMJ-KGLIPLIRSA-N 1 0 248.301 2.254 20 30 BEEDRO C=C[C@@H](CCC)Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218336547 971718073 /nfs/dbraw/zinc/71/80/73/971718073.db2.gz RFGLCCUEBKPMQS-LBPRGKRZSA-N 1 0 232.327 2.461 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C[C@H](F)CC ZINC001134411763 971721207 /nfs/dbraw/zinc/72/12/07/971721207.db2.gz FHRHBOIMNBOEEQ-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C[C@@H](F)CC ZINC001134411764 971721501 /nfs/dbraw/zinc/72/15/01/971721501.db2.gz FHRHBOIMNBOEEQ-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC(=C)Cl ZINC001134423797 971723260 /nfs/dbraw/zinc/72/32/60/971723260.db2.gz YCZMENPVNSVGBH-UHFFFAOYSA-N 1 0 244.766 2.047 20 30 BEEDRO C#CC[C@@H](CC)Oc1cccc(C[NH3+])c1 ZINC001218353586 971723548 /nfs/dbraw/zinc/72/35/48/971723548.db2.gz JHTKTIXKMJUBSE-GFCCVEGCSA-N 1 0 203.285 2.326 20 30 BEEDRO C=C(C)n1c2ccccc2nc1O[C@@H]1C[NH2+][C@H]1C ZINC001218383336 971761288 /nfs/dbraw/zinc/76/12/88/971761288.db2.gz NGUXZDRQPSSWBJ-GXFFZTMASA-N 1 0 243.310 2.266 20 30 BEEDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc2cccc(C#N)c2c1 ZINC001218384416 971763077 /nfs/dbraw/zinc/76/30/77/971763077.db2.gz CZNJKPMLFBNKHN-ZUZCIYMTSA-N 1 0 238.290 2.451 20 30 BEEDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc2ccc(C#N)cc2c1 ZINC001218384943 971764763 /nfs/dbraw/zinc/76/47/63/971764763.db2.gz JYGHSYRBSOCURB-BONVTDFDSA-N 1 0 238.290 2.451 20 30 BEEDRO Cc1cccc(O[C@@H]2CC[C@H](C)[NH2+]C2)c1C#N ZINC001218401490 971776581 /nfs/dbraw/zinc/77/65/81/971776581.db2.gz ZYVRZMSYCSMJAS-NWDGAFQWSA-N 1 0 230.311 2.386 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(C)cc(=O)[nH]1 ZINC001218452287 971821290 /nfs/dbraw/zinc/82/12/90/971821290.db2.gz UFXDVRIQGUMGNM-VXGBXAGGSA-N 1 0 248.326 2.171 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1[nH]ccc(=O)c1C ZINC001218457670 971823913 /nfs/dbraw/zinc/82/39/13/971823913.db2.gz YVBFBQWTDMQTQK-DGCLKSJQSA-N 1 0 248.326 2.171 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cc2C)C1 ZINC001230682745 1169671342 /nfs/dbraw/zinc/67/13/42/1169671342.db2.gz QJJMQEZORZTYPV-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO C#Cc1cccc(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001231657348 1169677210 /nfs/dbraw/zinc/67/72/10/1169677210.db2.gz JFJIIUGCWUJLQE-GASCZTMLSA-N 1 0 227.307 2.031 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCF ZINC001135202145 971846594 /nfs/dbraw/zinc/84/65/94/971846594.db2.gz BJCSKXKREUMZIB-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCCC3(COC3)C2)c1 ZINC001231657435 1169676224 /nfs/dbraw/zinc/67/62/24/1169676224.db2.gz KPNRINCUHIVFQE-UHFFFAOYSA-N 1 0 241.334 2.280 20 30 BEEDRO C#Cc1cccc(C[NH+]2CCC(C)(O)CC2)c1 ZINC001231657902 1169676361 /nfs/dbraw/zinc/67/63/61/1169676361.db2.gz OAWVBWVKEBJZKQ-UHFFFAOYSA-N 1 0 229.323 2.015 20 30 BEEDRO CC#CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135230913 971853332 /nfs/dbraw/zinc/85/33/32/971853332.db2.gz TWGLUDBYVTYPEA-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C/C=C(/C)C=C ZINC001135244346 971854092 /nfs/dbraw/zinc/85/40/92/971854092.db2.gz 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NHEXSWHQKFWLJW-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO COC1(C[NH2+]CC(C)(C)CC#N)CCC1 ZINC001331074650 974590445 /nfs/dbraw/zinc/59/04/45/974590445.db2.gz GLMPCDNKUHGTFY-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CC[C@@H](C)CC ZINC001135609191 971939461 /nfs/dbraw/zinc/93/94/61/971939461.db2.gz MDIUMUMOBKVDSA-JTQLQIEISA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CCC(=C)C ZINC001276799339 971966960 /nfs/dbraw/zinc/96/69/60/971966960.db2.gz BAIPUTUUGNMBHS-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@](C)(N)C(=O)Nc1c(CC)cccc1CC ZINC001218949274 971968740 /nfs/dbraw/zinc/96/87/40/971968740.db2.gz RJJALDDUHLPDHB-HNNXBMFYSA-N 1 0 244.338 2.101 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@](C)(CC)CCC ZINC001135843510 971979125 /nfs/dbraw/zinc/97/91/25/971979125.db2.gz TXQQIZPYTGQHAB-ZDUSSCGKSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](CC)CCC ZINC001135878372 971988098 /nfs/dbraw/zinc/98/80/98/971988098.db2.gz RNFHNMTWYHHIQL-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001135982443 972014593 /nfs/dbraw/zinc/01/45/93/972014593.db2.gz GPTFLFOUGDTTMY-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001135988630 972017715 /nfs/dbraw/zinc/01/77/15/972017715.db2.gz OOWNBJCZQWBKMF-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000390428581 972087790 /nfs/dbraw/zinc/08/77/90/972087790.db2.gz NUBAVHKLMHTXMO-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H](C#N)C1 ZINC001172353903 974622853 /nfs/dbraw/zinc/62/28/53/974622853.db2.gz PGXUSDGNDDDFHV-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO CCCCCCC[C@H](CC)[N@H+](C)C[C@@H](O)CO ZINC001172357964 974626635 /nfs/dbraw/zinc/62/66/35/974626635.db2.gz NOBOVFDVEZQABE-UONOGXRCSA-N 1 0 245.407 2.411 20 30 BEEDRO C=CCCC(=O)NCC[N@@H+](C)CC1CC(C)C1 ZINC001266262257 956894947 /nfs/dbraw/zinc/89/49/47/956894947.db2.gz LAKTYTGNSABKRT-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO [NH3+]C1(c2ccc(NCCCS)cc2)CC1 ZINC001171002073 972226589 /nfs/dbraw/zinc/22/65/89/972226589.db2.gz FORCNNGMQYZSHZ-UHFFFAOYSA-N 1 0 222.357 2.366 20 30 BEEDRO C=C(C)CN(CC)c1ncc(C)cc1C[NH3+] ZINC001167050994 956926665 /nfs/dbraw/zinc/92/66/65/956926665.db2.gz OQGBSIAPOKOVII-UHFFFAOYSA-N 1 0 219.332 2.251 20 30 BEEDRO Cc1cc2[nH+]ccn2cc1NCCCS ZINC001171002162 972227581 /nfs/dbraw/zinc/22/75/81/972227581.db2.gz IAEVLMXWQCHAPU-UHFFFAOYSA-N 1 0 221.329 2.375 20 30 BEEDRO C=C1CCC(CNC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000724463971 956978151 /nfs/dbraw/zinc/97/81/51/956978151.db2.gz AQEZLKJQYDVYRC-CYBMUJFWSA-N 1 0 238.375 2.222 20 30 BEEDRO Cc1cc(N(C)C)[nH+]cc1NCCCS ZINC001171004024 972231063 /nfs/dbraw/zinc/23/10/63/972231063.db2.gz OCQRCZAIOXURDQ-UHFFFAOYSA-N 1 0 225.361 2.188 20 30 BEEDRO CS[C@@H](C)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001208150860 957025323 /nfs/dbraw/zinc/02/53/23/957025323.db2.gz RRZMXAWBGXJRAN-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000705269116 957026829 /nfs/dbraw/zinc/02/68/29/957026829.db2.gz WUVXPMVKLRGPHW-WFASDCNBSA-N 1 0 244.338 2.212 20 30 BEEDRO CCC(=O)Nc1cc(NCCCS)cc[nH+]1 ZINC001171011784 972239118 /nfs/dbraw/zinc/23/91/18/972239118.db2.gz MYQMBMRAKMZLEM-UHFFFAOYSA-N 1 0 239.344 2.162 20 30 BEEDRO COCC1C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001208844256 957185562 /nfs/dbraw/zinc/18/55/62/957185562.db2.gz GSKKQAFIUIYZQQ-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO SC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC001208880863 957200240 /nfs/dbraw/zinc/20/02/40/957200240.db2.gz QEMNCBJLCIRNRK-SNVBAGLBSA-N 1 0 213.346 2.073 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001266315267 957207155 /nfs/dbraw/zinc/20/71/55/957207155.db2.gz RWHFZFREFFZYGX-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO Cc1cc(NC2=CC[N@H+](C)CC2)ccc1C#N ZINC001208910919 957237783 /nfs/dbraw/zinc/23/77/83/957237783.db2.gz VREYMXRYGOIQLF-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@H](CC)CC(C)C ZINC001266347800 957325106 /nfs/dbraw/zinc/32/51/06/957325106.db2.gz RSJCTOGJQTWIAM-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H](Oc2ncccn2)C1 ZINC001209163944 957339799 /nfs/dbraw/zinc/33/97/99/957339799.db2.gz OBSFYLREGFSLMQ-CYBMUJFWSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](Oc2ncc(C)cn2)C1 ZINC001209165373 957344649 /nfs/dbraw/zinc/34/46/49/957344649.db2.gz REXHEXIQOSBJHY-ZDUSSCGKSA-N 1 0 247.342 2.204 20 30 BEEDRO C#CCCC[N@@H+]1CCCC[C@H]1CN1CCCC1 ZINC001209265740 957370424 /nfs/dbraw/zinc/37/04/24/957370424.db2.gz HDZVIWQFVFDIHG-HNNXBMFYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCC[NH+]1CC(OCc2ccccc2)C1 ZINC001209265704 957372234 /nfs/dbraw/zinc/37/22/34/957372234.db2.gz DQMYIGMMAMVYKM-UHFFFAOYSA-N 1 0 229.323 2.301 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](Oc2ncccc2C)C1 ZINC001209268032 957374648 /nfs/dbraw/zinc/37/46/48/957374648.db2.gz QDLJGGIJEUBTMG-AWEZNQCLSA-N 1 0 244.338 2.257 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)c1ccccc1 ZINC001266371564 957400513 /nfs/dbraw/zinc/40/05/13/957400513.db2.gz ARZGERYHYVVHBY-UHFFFAOYSA-N 1 0 246.354 2.314 20 30 BEEDRO C=CCCC(=O)NCC[N@@H+](CC)CC(C)C ZINC001266380485 957412923 /nfs/dbraw/zinc/41/29/23/957412923.db2.gz NERRSINUXFOGCU-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@H]1C[C@@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209422190 957435249 /nfs/dbraw/zinc/43/52/49/957435249.db2.gz SQGJQEFWDYXAOM-IEECTRCBSA-N 1 0 204.317 2.409 20 30 BEEDRO C=CCCCCCC[NH+]1CC(N2CC(F)C2)C1 ZINC001209431189 957460529 /nfs/dbraw/zinc/46/05/29/957460529.db2.gz IQKLIMPLMWABPR-UHFFFAOYSA-N 1 0 240.366 2.461 20 30 BEEDRO C=CCCCCCCC[NH+]1CC(CO)C1 ZINC001209439697 957469356 /nfs/dbraw/zinc/46/93/56/957469356.db2.gz WDBUZGYPZHUVMD-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCCCCC[N@H+]1CC[C@H](NC(C)=O)C1 ZINC001209441184 957474953 /nfs/dbraw/zinc/47/49/53/957474953.db2.gz UXXBRYGXRVMJCL-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)NC[C@@H]([NH2+]CC(C)C)C1CC1 ZINC001266401777 957477675 /nfs/dbraw/zinc/47/76/75/957477675.db2.gz RWFHDZCKMTUZSO-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)NC[C@H]([NH2+]CC(C)C)C1CC1 ZINC001266401778 957478071 /nfs/dbraw/zinc/47/80/71/957478071.db2.gz RWFHDZCKMTUZSO-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)C1=CCCC1)C1CC1 ZINC001266404251 957480760 /nfs/dbraw/zinc/48/07/60/957480760.db2.gz LMQCCKZDLVGGGV-CQSZACIVSA-N 1 0 248.370 2.157 20 30 BEEDRO Cc1cccc2c1[nH+]c(N)n2-c1ccc(C#N)nc1 ZINC001209517359 957493885 /nfs/dbraw/zinc/49/38/85/957493885.db2.gz FLWYGFLPMVVTEY-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO N#CCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000397164067 957499567 /nfs/dbraw/zinc/49/95/67/957499567.db2.gz YNUFLMHSZXLPCX-HNNXBMFYSA-N 1 0 244.338 2.346 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@@H+](CCCCCO)C2 ZINC001209846456 957542853 /nfs/dbraw/zinc/54/28/53/957542853.db2.gz SRXSNQYKRXCQHV-UHFFFAOYSA-N 1 0 244.338 2.079 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000164421630 957594580 /nfs/dbraw/zinc/59/45/80/957594580.db2.gz CMJUPOJBNCJBMK-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000342235181 957774768 /nfs/dbraw/zinc/77/47/68/957774768.db2.gz QDTMGSJAFFCGOO-RYUDHWBXSA-N 1 0 235.327 2.110 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]CCCC)C1 ZINC001266542173 957779888 /nfs/dbraw/zinc/77/98/88/957779888.db2.gz JAKAHFLGBMFQTE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)[C@@H](C)C(C)C ZINC001266573340 957864347 /nfs/dbraw/zinc/86/43/47/957864347.db2.gz QMHZYOXOAYXQIP-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccnc(CC)n1 ZINC001207088146 957966419 /nfs/dbraw/zinc/96/64/19/957966419.db2.gz KKMXKURPVQIVOU-UHFFFAOYSA-N 1 0 219.332 2.437 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)C[C@H](C)CC)C1 ZINC001279223027 958133887 /nfs/dbraw/zinc/13/38/87/958133887.db2.gz AMFZREKYPSNASW-PNESKVBLSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(OC)c(C)c2)CC1 ZINC001137007985 972323811 /nfs/dbraw/zinc/32/38/11/972323811.db2.gz OHHMMXHZDSLOSG-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC000402207384 958185108 /nfs/dbraw/zinc/18/51/08/958185108.db2.gz LFCGMXZPVILLSN-WFASDCNBSA-N 1 0 244.338 2.324 20 30 BEEDRO CC[C@H](C)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402295729 958197992 /nfs/dbraw/zinc/19/79/92/958197992.db2.gz ZGMVITJQSCWQOF-SMDDNHRTSA-N 1 0 232.327 2.322 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001221361386 972327711 /nfs/dbraw/zinc/32/77/11/972327711.db2.gz IYBSOEAQKJJQKZ-NGPFNDBQSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)/C=C/C(C)(C)C)C1 ZINC001266674123 958220755 /nfs/dbraw/zinc/22/07/55/958220755.db2.gz MTEMKTXXZARLPQ-PKRZQGHMSA-N 1 0 236.359 2.012 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000971268774 958236595 /nfs/dbraw/zinc/23/65/95/958236595.db2.gz YCPUDYYQLYUGIT-LMVHVUTASA-N 1 0 248.370 2.061 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000690064320 958288595 /nfs/dbraw/zinc/28/85/95/958288595.db2.gz BPRJFQNCWXVMIU-IUODEOHRSA-N 1 0 245.322 2.218 20 30 BEEDRO N#C[C@H]1CCN(Cc2ccc3c(c2)COC3)C1 ZINC001137028594 972334527 /nfs/dbraw/zinc/33/45/27/972334527.db2.gz VHCVCCSSXLUVCD-GFCCVEGCSA-N 1 0 228.295 2.062 20 30 BEEDRO C#CCC1([NH2+]CCCCCOC)CCC1 ZINC000933300819 958352823 /nfs/dbraw/zinc/35/28/23/958352823.db2.gz FOXMRNNDKPRBCP-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO N#Cc1cncc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC001242273671 1169752239 /nfs/dbraw/zinc/75/22/39/1169752239.db2.gz OUNJHYGZLJCXFH-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(C)=C1CCCC1 ZINC001125527036 958400541 /nfs/dbraw/zinc/40/05/41/958400541.db2.gz JCSJWBXPLJJXLP-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)C(C)(C)CC ZINC001266822261 958445250 /nfs/dbraw/zinc/44/52/50/958445250.db2.gz ROXZOSOZOLQWGA-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccoc1 ZINC001266861284 958518403 /nfs/dbraw/zinc/51/84/03/958518403.db2.gz WFGAEXLNUDJKJH-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC)C1 ZINC001266888171 958546274 /nfs/dbraw/zinc/54/62/74/958546274.db2.gz BYTPNDFSDQFDAW-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC=C(NC=[NH2+])c1cccc(OC)c1C#N ZINC001242297180 1169754720 /nfs/dbraw/zinc/75/47/20/1169754720.db2.gz PTNPCLMSCPOKRV-JYOAFUTRSA-N 1 0 215.256 2.124 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CCC ZINC001266926637 958598089 /nfs/dbraw/zinc/59/80/89/958598089.db2.gz CMKZMKNFSWHXCT-ONGXEEELSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)c1cc[nH]c1 ZINC001266941758 958630689 /nfs/dbraw/zinc/63/06/89/958630689.db2.gz SXWOPMDWDHNITL-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO COc1cccc(-c2cc(C[NH3+])ccn2)c1C#N ZINC001242296532 1169755454 /nfs/dbraw/zinc/75/54/54/1169755454.db2.gz NIMWZTWIIPXIEB-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C1(CC)CCC1 ZINC001266963497 958670209 /nfs/dbraw/zinc/67/02/09/958670209.db2.gz FIULHYYOSIXDDH-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001267014950 958751343 /nfs/dbraw/zinc/75/13/43/958751343.db2.gz GALMCVGERRNQDD-ZFWWWQNUSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C=C(CC)CC ZINC001125565658 958785239 /nfs/dbraw/zinc/78/52/39/958785239.db2.gz WIOQGSZIEHKNLY-UHFFFAOYSA-N 1 0 244.766 2.191 20 30 BEEDRO N#CC1CCC(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000926356731 958821657 /nfs/dbraw/zinc/82/16/57/958821657.db2.gz OJRHIJWEWTWWTK-PFSRBDOWSA-N 1 0 247.386 2.000 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC3(CC3)CC2)cn1 ZINC001140540318 958827592 /nfs/dbraw/zinc/82/75/92/958827592.db2.gz RCTMSSIIFDURND-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CCC ZINC001267139638 958945036 /nfs/dbraw/zinc/94/50/36/958945036.db2.gz KFPTYFCFOQXGNM-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H](F)C(C)C ZINC001267138991 958946392 /nfs/dbraw/zinc/94/63/92/958946392.db2.gz DPMBIJNTQJRQQT-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCc1c(Cl)ncnc1-n1cccc1C[NH3+] ZINC001167581983 958947368 /nfs/dbraw/zinc/94/73/68/958947368.db2.gz PMCCEDGUEIGDMS-UHFFFAOYSA-N 1 0 248.717 2.108 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCc2cccnc21)C(C)C ZINC000300862514 958980096 /nfs/dbraw/zinc/98/00/96/958980096.db2.gz GOQOCIZHHHUMEQ-OLZOCXBDSA-N 1 0 214.312 2.316 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C)CCCC ZINC001267195194 959142380 /nfs/dbraw/zinc/14/23/80/959142380.db2.gz QZTLAQXSTJTLPP-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO N#Cc1cccc(OCC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC001167913212 959165545 /nfs/dbraw/zinc/16/55/45/959165545.db2.gz NJZQRMCZOJWYRP-BTTYYORXSA-N 1 0 242.322 2.325 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](CC)CC1CC1 ZINC001267247548 959299388 /nfs/dbraw/zinc/29/93/88/959299388.db2.gz QOAKVHTUEVDYIS-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO CC#CCC[NH2+]Cc1ncc(C)c(OC)c1C ZINC000158431420 959422835 /nfs/dbraw/zinc/42/28/35/959422835.db2.gz SQAMFXPRKXETJS-UHFFFAOYSA-N 1 0 232.327 2.210 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@H]1CCCOCC1 ZINC000308830821 959513463 /nfs/dbraw/zinc/51/34/63/959513463.db2.gz JIVZFWJRBZQQDK-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO N#Cc1ccc(CCNc2cc[nH+]cc2)cc1 ZINC001167677159 959592352 /nfs/dbraw/zinc/59/23/52/959592352.db2.gz KGONWIJIDYENKO-UHFFFAOYSA-N 1 0 223.279 2.030 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC001351410314 959609615 /nfs/dbraw/zinc/60/96/15/959609615.db2.gz AATSSGHMHDIVKI-GARJFASQSA-N 1 0 249.276 2.440 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]CC1(CC#N)CC1 ZINC000694059854 959699025 /nfs/dbraw/zinc/69/90/25/959699025.db2.gz NXFXQUBFJXWEHD-LBPRGKRZSA-N 1 0 229.327 2.296 20 30 BEEDRO C=CCn1cc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001222391576 972455710 /nfs/dbraw/zinc/45/57/10/972455710.db2.gz SVWHSHBCMYOXPG-UHFFFAOYSA-N 1 0 239.322 2.382 20 30 BEEDRO CS[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C#N)C1 ZINC000300381332 959801781 /nfs/dbraw/zinc/80/17/81/959801781.db2.gz FAZJOUVTDOWBGU-OUAUKWLOSA-N 1 0 212.362 2.410 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC000724833553 959802275 /nfs/dbraw/zinc/80/22/75/959802275.db2.gz BVMKCCNTFSKDAS-HUUCEWRRSA-N 1 0 242.322 2.169 20 30 BEEDRO Cc1cc(C#N)cc(C)c1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217958501 959802639 /nfs/dbraw/zinc/80/26/39/959802639.db2.gz KDIVRXHKJGEAIG-STQMWFEESA-N 1 0 248.301 2.254 20 30 BEEDRO C=CCn1cc(-c2cccc(CC[NH3+])c2)cn1 ZINC001222400527 972461583 /nfs/dbraw/zinc/46/15/83/972461583.db2.gz XOXBYCASIJTJMV-UHFFFAOYSA-N 1 0 227.311 2.237 20 30 BEEDRO C=CCn1cc(-c2cncc(C[NH+](C)C)c2)cn1 ZINC001222400235 972461686 /nfs/dbraw/zinc/46/16/86/972461686.db2.gz JLCRWKVHGAMRBP-UHFFFAOYSA-N 1 0 242.326 2.193 20 30 BEEDRO C=CCn1cc(-c2cccc(C[NH3+])c2F)cn1 ZINC001222405439 972464406 /nfs/dbraw/zinc/46/44/06/972464406.db2.gz KPGTZAIMGAFZSV-UHFFFAOYSA-N 1 0 231.274 2.334 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@H](C)[NH2+]CC(=C)C ZINC001283663290 959863250 /nfs/dbraw/zinc/86/32/50/959863250.db2.gz BONYPITYBGOZPF-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)CC(C)(C)C#N ZINC000694447152 959876713 /nfs/dbraw/zinc/87/67/13/959876713.db2.gz QWLGYIWJJBSNLA-FOGDFJRCSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](CC)CC(C)C ZINC001480993238 959876814 /nfs/dbraw/zinc/87/68/14/959876814.db2.gz ROLLLUYPRNQIPX-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)CCC2 ZINC001218203097 959888661 /nfs/dbraw/zinc/88/86/61/959888661.db2.gz BRCOOQWHDPKELT-HNNXBMFYSA-N 1 0 229.323 2.472 20 30 BEEDRO N#CC1(c2ccc(O[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC001218282824 959940552 /nfs/dbraw/zinc/94/05/52/959940552.db2.gz AXNBDUAEBFFZBW-CQSZACIVSA-N 1 0 242.322 2.373 20 30 BEEDRO N#CC1(c2ccc(O[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC001218282823 959940889 /nfs/dbraw/zinc/94/08/89/959940889.db2.gz AXNBDUAEBFFZBW-AWEZNQCLSA-N 1 0 242.322 2.373 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C=C2CCC2)C1 ZINC001481087535 960027835 /nfs/dbraw/zinc/02/78/35/960027835.db2.gz XFWFDKUPOFGVFV-AWEZNQCLSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CC[N@H+]1CC[C@H](CNC(=O)C/C=C(/C)C=C)C1 ZINC001481105526 960067228 /nfs/dbraw/zinc/06/72/28/960067228.db2.gz KVMRMQGOVSVPJH-CNTYAEFGSA-N 1 0 248.370 2.133 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cnc(C#N)nc2)cc1 ZINC001204632043 960173902 /nfs/dbraw/zinc/17/39/02/960173902.db2.gz RPYGKPFXYQKGAX-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCCCC(=O)NCc1ccccc1C[NH3+] ZINC001327188988 972487850 /nfs/dbraw/zinc/48/78/50/972487850.db2.gz NKYWHBZGLGIZFN-UHFFFAOYSA-N 1 0 232.327 2.118 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@H](C#N)CCC#N ZINC001353277354 960210719 /nfs/dbraw/zinc/21/07/19/960210719.db2.gz KIMHPEGBQUYMQY-STQMWFEESA-N 1 0 242.326 2.046 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C[C@H](C)CCC ZINC001481212362 960224790 /nfs/dbraw/zinc/22/47/90/960224790.db2.gz JFABCADKJKTUNG-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001267718139 960227013 /nfs/dbraw/zinc/22/70/13/960227013.db2.gz ZYYATCCODLXPQC-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO CC(C)[C@@H](C)CNC(=[NH2+])NCCc1ccccc1 ZINC000178580975 960235590 /nfs/dbraw/zinc/23/55/90/960235590.db2.gz BYZBHOIOLIIEGF-ZDUSSCGKSA-N 1 0 247.386 2.426 20 30 BEEDRO CC(C)CCNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000178580747 960236037 /nfs/dbraw/zinc/23/60/37/960236037.db2.gz LUEQETUNSOHYLQ-LLVKDONJSA-N 1 0 213.369 2.229 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C(C)(C)C(C)C ZINC001481234769 960280796 /nfs/dbraw/zinc/28/07/96/960280796.db2.gz OEMOAPRTXXYFFK-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001267764025 960305747 /nfs/dbraw/zinc/30/57/47/960305747.db2.gz QTXRKSYHWUZTER-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[C@@H](C)C(=O)NCCCCC[NH+](C)C ZINC001144022816 972495170 /nfs/dbraw/zinc/49/51/70/972495170.db2.gz YTTFFAYDPFOKRK-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)/C(C)=C/C)C1 ZINC001267785460 960351937 /nfs/dbraw/zinc/35/19/37/960351937.db2.gz PJAIXNGIUPXTAL-UWUHSAQLSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)C(C)(C)CC ZINC001267817996 960396460 /nfs/dbraw/zinc/39/64/60/960396460.db2.gz WRGCSNLFBUHBRI-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CCC(=O)N[C@](C)(C[NH2+]CC)C1CC1 ZINC001267854078 960441223 /nfs/dbraw/zinc/44/12/23/960441223.db2.gz UHRNXNDREIRLBW-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[C@@H](O)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695776342 960453446 /nfs/dbraw/zinc/45/34/46/960453446.db2.gz CTLMXBZSWSXWRJ-VXGBXAGGSA-N 1 0 226.364 2.455 20 30 BEEDRO C=CC[C@H](C)C(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001144029176 972504668 /nfs/dbraw/zinc/50/46/68/972504668.db2.gz QMVBQCFEXBIWQI-NSHDSACASA-N 1 0 226.364 2.173 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000695834289 960497802 /nfs/dbraw/zinc/49/78/02/960497802.db2.gz BJTGARPZYIIOCL-WRWGMCAJSA-N 1 0 224.348 2.470 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCC(O)CC1 ZINC000695838323 960497903 /nfs/dbraw/zinc/49/79/03/960497903.db2.gz VRWKVCAKNQTXLW-HIFPTAJRSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695835921 960498413 /nfs/dbraw/zinc/49/84/13/960498413.db2.gz JDQCXHCHDBHNKY-QWRGUYRKSA-N 1 0 226.364 2.454 20 30 BEEDRO CO[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1CC1 ZINC000695836510 960500085 /nfs/dbraw/zinc/50/00/85/960500085.db2.gz NCNJXMDDPBTXME-CMPLNLGQSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CO)CCCC1 ZINC000695835066 960501703 /nfs/dbraw/zinc/50/17/03/960501703.db2.gz GLKJSKDVDQDRGR-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)n(C)n1 ZINC000695842247 960506549 /nfs/dbraw/zinc/50/65/49/960506549.db2.gz LBALXNIFEUQOMK-NSHDSACASA-N 1 0 234.347 2.147 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC(C)(C)CO ZINC000695844176 960508681 /nfs/dbraw/zinc/50/86/81/960508681.db2.gz UVZJZGBCHYHPDM-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C(C)(C)O ZINC000695840754 960511830 /nfs/dbraw/zinc/51/18/30/960511830.db2.gz FGKBPHSDTSPMSR-GHMZBOCLSA-N 1 0 226.364 2.454 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001327226466 972508460 /nfs/dbraw/zinc/50/84/60/972508460.db2.gz ADSCJORXPPZRPA-IZUQBHJASA-N 1 0 226.270 2.456 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001327226469 972509811 /nfs/dbraw/zinc/50/98/11/972509811.db2.gz ADSCJORXPPZRPA-SAAXCQNUSA-N 1 0 226.270 2.456 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(CNC(C)=O)cc1 ZINC001267932152 960532275 /nfs/dbraw/zinc/53/22/75/960532275.db2.gz OBHARCHFSUIQTC-UHFFFAOYSA-N 1 0 246.354 2.379 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(O)c(C)c1O ZINC001140749064 960552715 /nfs/dbraw/zinc/55/27/15/960552715.db2.gz PXSDRHMIHSAVJE-UHFFFAOYSA-N 1 0 207.273 2.024 20 30 BEEDRO C=CCn1cc(-c2ccc3c(c2)C[NH2+]C3)cn1 ZINC001222391294 960584441 /nfs/dbraw/zinc/58/44/41/960584441.db2.gz KJOXNIZTPFEGPJ-UHFFFAOYSA-N 1 0 225.295 2.339 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCC2(C#N)CC2)cc1 ZINC001327255697 972517596 /nfs/dbraw/zinc/51/75/96/972517596.db2.gz QVMXFUKQICSPLC-UHFFFAOYSA-N 1 0 228.299 2.235 20 30 BEEDRO C#C[C@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC001222503958 960662343 /nfs/dbraw/zinc/66/23/43/960662343.db2.gz LFFXDUYXVIXPSC-HNNXBMFYSA-N 1 0 229.323 2.472 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925702597 960699333 /nfs/dbraw/zinc/69/93/33/960699333.db2.gz OWDBAQRGSRRWRQ-NSHDSACASA-N 1 0 224.352 2.436 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)C[NH2+]C(C)C ZINC001268001391 960705669 /nfs/dbraw/zinc/70/56/69/960705669.db2.gz AZZRLCUUOHQKFA-JSGCOSHPSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C ZINC001268010258 960729017 /nfs/dbraw/zinc/72/90/17/960729017.db2.gz AJTATIYAQIMPAG-LBPRGKRZSA-N 1 0 240.391 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1 0 232.318 2.401 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(F)(F)[C@H](N)C1 ZINC001206654741 963035941 /nfs/dbraw/zinc/03/59/41/963035941.db2.gz CSJOXOAXUHNTHF-SNVBAGLBSA-N 1 0 218.291 2.011 20 30 BEEDRO C#C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969854 963045022 /nfs/dbraw/zinc/04/50/22/963045022.db2.gz GRNWMDLAOYGCQI-JZIBPQBNSA-N 1 0 232.371 2.003 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+][C@@H](C)CCC=C ZINC001155586776 963117059 /nfs/dbraw/zinc/11/70/59/963117059.db2.gz KENDILYZXHJLME-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CCCCC ZINC001155594001 963119397 /nfs/dbraw/zinc/11/93/97/963119397.db2.gz VVLDCBHWBHNFJQ-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO Cc1cc(NCC[NH+](C)C)ccc1CC#N ZINC001161671465 963124762 /nfs/dbraw/zinc/12/47/62/963124762.db2.gz SJMVPRLTNFXPMC-UHFFFAOYSA-N 1 0 217.316 2.035 20 30 BEEDRO C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)CC ZINC001482375543 963225405 /nfs/dbraw/zinc/22/54/05/963225405.db2.gz ZDXDQGVVNMBGCT-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@H](C#N)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003263 963238561 /nfs/dbraw/zinc/23/85/61/963238561.db2.gz MLFBMAGRUZJESC-YXQSOJMXSA-N 1 0 247.386 2.236 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C(C)=C\C ZINC001156372804 963326904 /nfs/dbraw/zinc/32/69/04/963326904.db2.gz RIECRWJKDJFMCZ-XGICHPGQSA-N 1 0 224.348 2.015 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000895563238 963434888 /nfs/dbraw/zinc/43/48/88/963434888.db2.gz XVIKQJUTZQRSPC-CYBMUJFWSA-N 1 0 231.343 2.057 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@@H]1CC1(C)C ZINC001156690787 963436151 /nfs/dbraw/zinc/43/61/51/963436151.db2.gz GTMYRITVGRFVQC-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2cnc(C#N)c(C)c2)C1 ZINC001227350412 963502745 /nfs/dbraw/zinc/50/27/45/963502745.db2.gz OYONVLBBRPQZQH-LBPRGKRZSA-N 1 0 245.326 2.125 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000985345446 963558475 /nfs/dbraw/zinc/55/84/75/963558475.db2.gz HDOLYBVVDQSUJC-SREVYHEPSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC ZINC001271459097 963560976 /nfs/dbraw/zinc/56/09/76/963560976.db2.gz QSZPLFGFAAOHTI-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@H](C)C[NH+](C)C ZINC000714001700 963572166 /nfs/dbraw/zinc/57/21/66/963572166.db2.gz PWRJGIBFFSAHAK-LLVKDONJSA-N 1 0 218.300 2.196 20 30 BEEDRO C=C(C)C(=O)OCCNc1ccc(C)c(C)[nH+]1 ZINC001157304527 963574194 /nfs/dbraw/zinc/57/41/94/963574194.db2.gz OCHKUQNWSHLINI-UHFFFAOYSA-N 1 0 234.299 2.230 20 30 BEEDRO C=CCCC(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001482521433 963628863 /nfs/dbraw/zinc/62/88/63/963628863.db2.gz GBSBEUGCWQYUCX-LBPRGKRZSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C=C(\C)CC ZINC001157550747 963658125 /nfs/dbraw/zinc/65/81/25/963658125.db2.gz KTUWAXWEGGTHLH-FMIVXFBMSA-N 1 0 224.348 2.015 20 30 BEEDRO C#CCC1([NH2+]C[C@H](C)CCC#N)CCC1 ZINC000897351177 963673849 /nfs/dbraw/zinc/67/38/49/963673849.db2.gz VOXBBBNZALZUBD-GFCCVEGCSA-N 1 0 204.317 2.462 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689081934 963697270 /nfs/dbraw/zinc/69/72/70/963697270.db2.gz FJSCTHJHKWDTKZ-MRVPVSSYSA-N 1 0 225.313 2.199 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001482551699 963697662 /nfs/dbraw/zinc/69/76/62/963697662.db2.gz UYWOEXHXQGYQNV-CYBMUJFWSA-N 1 0 240.391 2.482 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2nccc(C)c2C#N)C1 ZINC001228304462 963739315 /nfs/dbraw/zinc/73/93/15/963739315.db2.gz DCBJRYCBHKLWLB-LBPRGKRZSA-N 1 0 245.326 2.125 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1CCO[C@H](C)C1 ZINC001168129508 963808999 /nfs/dbraw/zinc/80/89/99/963808999.db2.gz YNKYRCRVRQQAPL-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(OC)cc[nH+]1 ZINC001158738257 963911099 /nfs/dbraw/zinc/91/10/99/963911099.db2.gz ZHFNQIXPCSFXOM-GFCCVEGCSA-N 1 0 204.273 2.304 20 30 BEEDRO Cc1ccc(C#N)c(NC(C)(C)CC[NH+](C)C)n1 ZINC001158757446 963914678 /nfs/dbraw/zinc/91/46/78/963914678.db2.gz OAYJURXRNPVXBF-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO N#CC12CCC(Nc3cc(N)ncn3)(CC1)CC2 ZINC001158788477 963925267 /nfs/dbraw/zinc/92/52/67/963925267.db2.gz IGDNVNHKRVKVQR-UHFFFAOYSA-N 1 0 243.314 2.087 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]CC1CC1 ZINC001158887042 963951980 /nfs/dbraw/zinc/95/19/80/963951980.db2.gz OHSPDCBVCOYFAN-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO N#Cc1ccc(CNc2cccc(N)[nH+]2)s1 ZINC001159173840 964008074 /nfs/dbraw/zinc/00/80/74/964008074.db2.gz DXMCVOKNVLWGGF-UHFFFAOYSA-N 1 0 230.296 2.209 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168242277 964041210 /nfs/dbraw/zinc/04/12/10/964041210.db2.gz XPAVVBWAQUFDJJ-ZIAGYGMSSA-N 1 0 244.338 2.444 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH+]1CC(CC#N)C1)C2 ZINC001168264337 964106853 /nfs/dbraw/zinc/10/68/53/964106853.db2.gz RSOCAPFWEHZZKI-AWEZNQCLSA-N 1 0 242.322 2.008 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)CCC1(C)CC1 ZINC001482640242 964111394 /nfs/dbraw/zinc/11/13/94/964111394.db2.gz AZRJSQKWTVUKDG-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC(C)C ZINC001482668532 964128840 /nfs/dbraw/zinc/12/88/40/964128840.db2.gz VRVDGYKBLZNOIJ-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO CCC=CNc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001159662588 964138585 /nfs/dbraw/zinc/13/85/85/964138585.db2.gz VLFXTINXVCMEKI-XVNBXDOJSA-N 1 0 242.326 2.325 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001482869677 964225175 /nfs/dbraw/zinc/22/51/75/964225175.db2.gz FDWRKKNCBDDHNT-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001482887090 964233075 /nfs/dbraw/zinc/23/30/75/964233075.db2.gz YJQIQYTXLWBXFJ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1ccc(C)c(NC2=CC[NH2+]CC2)c1C#N ZINC001160257246 964275312 /nfs/dbraw/zinc/27/53/12/964275312.db2.gz VVNLBIDGRUJXNL-UHFFFAOYSA-N 1 0 227.311 2.464 20 30 BEEDRO Cc1ccc(C)c(NC2=CCC[NH2+]C2)c1C#N ZINC001160256431 964277702 /nfs/dbraw/zinc/27/77/02/964277702.db2.gz JVGMFSHDPBMROG-UHFFFAOYSA-N 1 0 227.311 2.464 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)C1CCC1 ZINC001160794023 964414068 /nfs/dbraw/zinc/41/40/68/964414068.db2.gz BTWWSXIHCQHMSQ-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(C)cc(C)n1 ZINC001160952412 964455632 /nfs/dbraw/zinc/45/56/32/964455632.db2.gz ZRGPFLGMYCJZMY-ZDUSSCGKSA-N 1 0 246.358 2.156 20 30 BEEDRO C=CCCCCCCNC1=[NH+]CCCCN1 ZINC000697686580 964501237 /nfs/dbraw/zinc/50/12/37/964501237.db2.gz QCBHGANPFGOMPR-UHFFFAOYSA-N 1 0 223.364 2.452 20 30 BEEDRO CC[C@H](CC#N)Nc1cc(C[NH+](C)C)ccn1 ZINC001161055371 964506034 /nfs/dbraw/zinc/50/60/34/964506034.db2.gz HRAWJSMGYWWAPV-GFCCVEGCSA-N 1 0 232.331 2.247 20 30 BEEDRO CC(C)[C@@](C)(C#N)NC1CC[NH+](CC2CC2)CC1 ZINC001168355794 964510345 /nfs/dbraw/zinc/51/03/45/964510345.db2.gz AINNBIQFHQPTQD-OAHLLOKOSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC ZINC001272226493 964531231 /nfs/dbraw/zinc/53/12/31/964531231.db2.gz RRLFFCQPPRYQQK-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO CC[C@@](C)(C#N)NC1CC[NH+](CC2CC2)CC1 ZINC001168359617 964548484 /nfs/dbraw/zinc/54/84/84/964548484.db2.gz CVTMGVAPSFDROE-AWEZNQCLSA-N 1 0 235.375 2.143 20 30 BEEDRO CC#CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001224358248 964575108 /nfs/dbraw/zinc/57/51/08/964575108.db2.gz FHZPYUQPLAXHPE-UONOGXRCSA-N 1 0 244.338 2.257 20 30 BEEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@H](OCC#N)C1 ZINC001224382933 964610152 /nfs/dbraw/zinc/61/01/52/964610152.db2.gz TVTSVKNLTURSGE-STQMWFEESA-N 1 0 245.326 2.147 20 30 BEEDRO N#CCOC1CC[NH+](CCc2ccccc2)CC1 ZINC001224381462 964610975 /nfs/dbraw/zinc/61/09/75/964610975.db2.gz MJOMFEFPNACBCT-UHFFFAOYSA-N 1 0 244.338 2.234 20 30 BEEDRO N#CCO[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224382036 964611099 /nfs/dbraw/zinc/61/10/99/964611099.db2.gz QADYUXOHVDOSGX-CYBMUJFWSA-N 1 0 248.301 2.330 20 30 BEEDRO C[C@H](c1ccccn1)[N@@H+]1CCC[C@@H](OCC#N)C1 ZINC001224382907 964611338 /nfs/dbraw/zinc/61/13/38/964611338.db2.gz TVTSVKNLTURSGE-CHWSQXEVSA-N 1 0 245.326 2.147 20 30 BEEDRO Cc1ccccc1CNc1cc[nH+]c(CC#N)c1 ZINC001161624216 964647421 /nfs/dbraw/zinc/64/74/21/964647421.db2.gz WCLGCCAXDMSXSO-UHFFFAOYSA-N 1 0 237.306 2.490 20 30 BEEDRO CC#C[C@@H](CC)OCC1CC[NH+](C)CC1 ZINC001224457928 964674183 /nfs/dbraw/zinc/67/41/83/964674183.db2.gz WPHYFDRJDGTXKN-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C[NH+](C)CCNc1ccc2c(C#N)c[nH]c2c1 ZINC001161671092 964676520 /nfs/dbraw/zinc/67/65/20/964676520.db2.gz JSNFFOWIGMERMX-UHFFFAOYSA-N 1 0 228.299 2.013 20 30 BEEDRO C[NH+](C)CCNc1ccc2nc(C#N)ccc2c1 ZINC001161672825 964678041 /nfs/dbraw/zinc/67/80/41/964678041.db2.gz JQQLDOHSQLQULO-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C[n+]1cccc(N[C@H](C#N)c2ccccc2)c1 ZINC001161726118 964715507 /nfs/dbraw/zinc/71/55/07/964715507.db2.gz VILRIKXVLGKDHQ-CQSZACIVSA-N 1 0 224.287 2.188 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]CCC(=C)C ZINC001483157541 964793309 /nfs/dbraw/zinc/79/33/09/964793309.db2.gz QKFNOBPKIRPEPX-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO Cc1cc(C#N)cc(NC2C[NH+](C(C)(C)C)C2)n1 ZINC001162225841 964883090 /nfs/dbraw/zinc/88/30/90/964883090.db2.gz KSUQJAZQUZWDJA-UHFFFAOYSA-N 1 0 244.342 2.156 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)=C1CCC1 ZINC001483226472 964886334 /nfs/dbraw/zinc/88/63/34/964886334.db2.gz WCZIBOCYXVQBHH-NSHDSACASA-N 1 0 236.359 2.157 20 30 BEEDRO N#CC1(Nc2ccc([C@@H]3CCC[NH2+]3)cn2)CCC1 ZINC001162308514 964921598 /nfs/dbraw/zinc/92/15/98/964921598.db2.gz ITLGTOSYZDZPIT-LBPRGKRZSA-N 1 0 242.326 2.364 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001105736675 965097346 /nfs/dbraw/zinc/09/73/46/965097346.db2.gz KDQQVVHALSMONN-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c2[nH]ccc21 ZINC001162675739 965109279 /nfs/dbraw/zinc/10/92/79/965109279.db2.gz DATRJDDUDBFNBW-BXKDBHETSA-N 1 0 240.310 2.202 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc(C#N)cc2[nH]ccc21 ZINC001162676823 965110075 /nfs/dbraw/zinc/11/00/75/965110075.db2.gz XGHYAULIAVEOBO-BXKDBHETSA-N 1 0 240.310 2.202 20 30 BEEDRO N#C[C@H]1CCCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168387684 965111772 /nfs/dbraw/zinc/11/17/72/965111772.db2.gz PVLJRVBTSZMYQQ-OAHLLOKOSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1ccc(C[NH2+]C#C[Si](C)(C)C)cn1 ZINC001162870477 965199307 /nfs/dbraw/zinc/19/93/07/965199307.db2.gz IQQWIEWDFNDXMG-UHFFFAOYSA-N 1 0 218.376 2.318 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OCCCC[NH+](C)C ZINC001224991382 965201382 /nfs/dbraw/zinc/20/13/82/965201382.db2.gz RKXQJAYTFLCFNI-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO CCCC(C[NH3+])(CCC)Nc1cncc(C#N)n1 ZINC001163038268 965238220 /nfs/dbraw/zinc/23/82/20/965238220.db2.gz ALEZERMNZZAJPU-UHFFFAOYSA-N 1 0 247.346 2.058 20 30 BEEDRO COC[C@@H](C[NH+]1CCC(C#N)CC1)C(C)C ZINC000721734527 965248195 /nfs/dbraw/zinc/24/81/95/965248195.db2.gz PTWWXXOSAGLZLZ-CYBMUJFWSA-N 1 0 224.348 2.141 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(CCNC(C)=O)CC1 ZINC001163067480 965252654 /nfs/dbraw/zinc/25/26/54/965252654.db2.gz VSHQCELYAIUMJV-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CNc1ccc(C[NH+](C)C)cn1 ZINC001163375802 965379594 /nfs/dbraw/zinc/37/95/94/965379594.db2.gz LOXPUGCZHNRSEC-UHFFFAOYSA-N 1 0 205.305 2.131 20 30 BEEDRO C=C(C)CNc1cc(O[C@@H]2CCOC2)cc[nH+]1 ZINC001163381567 965387338 /nfs/dbraw/zinc/38/73/38/965387338.db2.gz UUSNIYLLZYDAOC-GFCCVEGCSA-N 1 0 234.299 2.237 20 30 BEEDRO O/N=C/c1cccc(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163395170 965394117 /nfs/dbraw/zinc/39/41/17/965394117.db2.gz PBNSRQVTUSCFKQ-AHSSXEFNSA-N 1 0 245.326 2.001 20 30 BEEDRO Cc1nc(N(C)C(C)C)ccc1CC#N ZINC001163622975 965485453 /nfs/dbraw/zinc/48/54/53/965485453.db2.gz YHBDPVJQIKTLFS-UHFFFAOYSA-N 1 0 203.289 2.301 20 30 BEEDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1C[C@H](O)CC#N ZINC000929653684 965545254 /nfs/dbraw/zinc/54/52/54/965545254.db2.gz GLODCGAPOSMBIV-AEGPPILISA-N 1 0 244.338 2.139 20 30 BEEDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1C[C@H](O)CC#N ZINC000929653693 965546540 /nfs/dbraw/zinc/54/65/40/965546540.db2.gz GLODCGAPOSMBIV-NWANDNLSSA-N 1 0 244.338 2.139 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cc(C#N)cc2[nH]ccc21 ZINC001163782854 965587955 /nfs/dbraw/zinc/58/79/55/965587955.db2.gz SESYNLSGCQJHES-SNVBAGLBSA-N 1 0 242.326 2.402 20 30 BEEDRO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2CC ZINC001272437364 965598498 /nfs/dbraw/zinc/59/84/98/965598498.db2.gz JGCUDQBJEHXCFD-CQSZACIVSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@@H]1C ZINC001164111489 965738952 /nfs/dbraw/zinc/73/89/52/965738952.db2.gz QLPSTUHQUJYYJF-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1cc(C)c(C#N)c(N(CCC[NH3+])C(C)C)n1 ZINC001164127237 965749372 /nfs/dbraw/zinc/74/93/72/965749372.db2.gz RNRPETVVJSTJNJ-UHFFFAOYSA-N 1 0 246.358 2.134 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001164127306 965750472 /nfs/dbraw/zinc/75/04/72/965750472.db2.gz HXRMFCYAJUTXHR-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001122084773 965754368 /nfs/dbraw/zinc/75/43/68/965754368.db2.gz QTLQDCXBZXYSMD-YNEHKIRRSA-N 1 0 238.375 2.214 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@]1(C)C=CCC1 ZINC001164140796 965757420 /nfs/dbraw/zinc/75/74/20/965757420.db2.gz PBLBSMKPUOKAOD-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC001122100469 965766082 /nfs/dbraw/zinc/76/60/82/965766082.db2.gz ROBTWRKZLSOWCC-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H]1CCC1(C)C ZINC001164311062 965842742 /nfs/dbraw/zinc/84/27/42/965842742.db2.gz CHIJGTWHEAQTOM-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]Cc1ccc2nonc2c1 ZINC001164344157 965852765 /nfs/dbraw/zinc/85/27/65/965852765.db2.gz OGTYSXSXAYESRE-UHFFFAOYSA-N 1 0 245.358 2.151 20 30 BEEDRO CC(C)[C@H](C#N)c1ccc(NOCC[NH3+])cc1 ZINC001164435482 965882784 /nfs/dbraw/zinc/88/27/84/965882784.db2.gz HBLGBNONJBFYAS-ZDUSSCGKSA-N 1 0 233.315 2.252 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1ccoc1C1CC1 ZINC001164604900 965935242 /nfs/dbraw/zinc/93/52/42/965935242.db2.gz XKTYDEKDXPQSMA-UHFFFAOYSA-N 1 0 248.326 2.053 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C1CCC1 ZINC001272609636 965977489 /nfs/dbraw/zinc/97/74/89/965977489.db2.gz CDULUCMYCVDTSW-JTQLQIEISA-N 1 0 244.766 2.023 20 30 BEEDRO C[N@@H+]1CCC[C@H](CCNc2cc(C#N)ccn2)C1 ZINC001165254477 966014415 /nfs/dbraw/zinc/01/44/15/966014415.db2.gz WQJALDIHAZPQNI-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CC1CCC1 ZINC001235452054 966064283 /nfs/dbraw/zinc/06/42/83/966064283.db2.gz VFZRUMSWKYOLBD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#Cc1ccc(CN2CC[NH2+][C@H](C(C)C)C2)cc1 ZINC001235471205 966072080 /nfs/dbraw/zinc/07/20/80/966072080.db2.gz IOERTGNDBABRQC-INIZCTEOSA-N 1 0 242.366 2.098 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000699787704 966089823 /nfs/dbraw/zinc/08/98/23/966089823.db2.gz MSSIIGAMMOKENT-FZMZJTMJSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C(C)(C)CC ZINC001165571283 966134469 /nfs/dbraw/zinc/13/44/69/966134469.db2.gz UBICULAHNBGGCL-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OCC[NH+]1CCCCC1 ZINC001206709507 966156815 /nfs/dbraw/zinc/15/68/15/966156815.db2.gz MYCVZNDFDMIRBY-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C[C@@H]1C[C@H]1C ZINC001165894621 966190916 /nfs/dbraw/zinc/19/09/16/966190916.db2.gz FYQJCCIJQVSYIY-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH2+]CCC ZINC001165934300 966202895 /nfs/dbraw/zinc/20/28/95/966202895.db2.gz IJFMTTPOBLBGAM-CYBMUJFWSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]CCCC ZINC001165929070 966205604 /nfs/dbraw/zinc/20/56/04/966205604.db2.gz HENKDVBUUNQUSG-AWEZNQCLSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C1(CC=C)CCC1 ZINC001165997772 966224034 /nfs/dbraw/zinc/22/40/34/966224034.db2.gz CJPGWWWRRUOWPV-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001166191449 966251722 /nfs/dbraw/zinc/25/17/22/966251722.db2.gz GEUAKDSRQDWWDF-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C(C)(C)CC)CC1 ZINC001483765090 966282153 /nfs/dbraw/zinc/28/21/53/966282153.db2.gz NNAJJRUHAKBZSV-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC[C@H]([NH3+])C2)CC1 ZINC001236167354 966282374 /nfs/dbraw/zinc/28/23/74/966282374.db2.gz BZVDCOIRJNIDGT-KGLIPLIRSA-N 1 0 220.360 2.322 20 30 BEEDRO C#Cc1ccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218127 966314102 /nfs/dbraw/zinc/31/41/02/966314102.db2.gz REZOMOANPHPTAT-CVEARBPZSA-N 1 0 242.366 2.370 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CCC[C@@H]1C[NH3+] ZINC001236252699 966321026 /nfs/dbraw/zinc/32/10/26/966321026.db2.gz OYVLGDROJXZGFC-OAHLLOKOSA-N 1 0 243.354 2.044 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)/C(C)=C/CC ZINC001272674111 966362690 /nfs/dbraw/zinc/36/26/90/966362690.db2.gz ZQRDYYIDFANLPE-BWODNOAJSA-N 1 0 238.375 2.403 20 30 BEEDRO CN(C)c1cc[nH+]c(N2CCC[C@@H](CC#N)C2)c1 ZINC001166743719 966391917 /nfs/dbraw/zinc/39/19/17/966391917.db2.gz XQBUIQLYOJPVLE-LBPRGKRZSA-N 1 0 244.342 2.278 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001483924537 966401296 /nfs/dbraw/zinc/40/12/96/966401296.db2.gz OBRJUKUFKDMCNR-WONIAPNHSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)CC(C)(C)C ZINC001483921151 966403183 /nfs/dbraw/zinc/40/31/83/966403183.db2.gz ZRKPAYSSLGULBU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)NCCC1(C[NH2+]CC)CC1 ZINC001166935414 966450985 /nfs/dbraw/zinc/45/09/85/966450985.db2.gz QNLXHMMXVLSMLE-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001484331207 966456375 /nfs/dbraw/zinc/45/63/75/966456375.db2.gz JRAWKJNEKOPNEC-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC)C[C@H]1C ZINC001484357914 966459020 /nfs/dbraw/zinc/45/90/20/966459020.db2.gz KDQQVVHALSMONN-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC1(CC(=O)N[C@H](C)[C@@H](C)[NH3+])CCCCC1 ZINC001521547173 966473604 /nfs/dbraw/zinc/47/36/04/966473604.db2.gz RLETYXOJJUTDEL-VXGBXAGGSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)CC)CC1 ZINC001484706940 966507063 /nfs/dbraw/zinc/50/70/63/966507063.db2.gz PYELVZRPCHHOHT-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]1CCCN(c2[nH+]ccc3c2ccn3C)C1 ZINC001167006765 966518884 /nfs/dbraw/zinc/51/88/84/966518884.db2.gz QBBJEEDNAVIQOB-GFCCVEGCSA-N 1 0 239.322 2.423 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001485083550 966539254 /nfs/dbraw/zinc/53/92/54/966539254.db2.gz IFAKJAJVCOWXBO-HSBZDZAISA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001485083553 966539912 /nfs/dbraw/zinc/53/99/12/966539912.db2.gz IFAKJAJVCOWXBO-IYXRBSQSSA-N 1 0 248.370 2.013 20 30 BEEDRO C#CCCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC001485140405 966554816 /nfs/dbraw/zinc/55/48/16/966554816.db2.gz QPIBMYRNMMRASE-STQMWFEESA-N 1 0 238.375 2.071 20 30 BEEDRO C#CC1CC[NH+](Cc2[nH]c(CC)nc2C)CC1 ZINC001203248952 966582592 /nfs/dbraw/zinc/58/25/92/966582592.db2.gz WUOAWZJSIZMZLB-UHFFFAOYSA-N 1 0 231.343 2.126 20 30 BEEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)CC)C1 ZINC001485492690 966604319 /nfs/dbraw/zinc/60/43/19/966604319.db2.gz ZFYTVYIGZZZDEE-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCC ZINC001485473145 966608348 /nfs/dbraw/zinc/60/83/48/966608348.db2.gz QPGMLHBEKMNJGU-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](NC(=O)CCC)C(C)(C)C1 ZINC001485560619 966613810 /nfs/dbraw/zinc/61/38/10/966613810.db2.gz FVXRFKVMZDZGLL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C(C)(F)F ZINC001485713178 966630470 /nfs/dbraw/zinc/63/04/70/966630470.db2.gz JKSNUPLBRZQRPU-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)/C(C)=C/C ZINC001272712782 966691539 /nfs/dbraw/zinc/69/15/39/966691539.db2.gz RBXCRFNHEQRWIL-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1CC=CC1 ZINC001125147508 966740502 /nfs/dbraw/zinc/74/05/02/966740502.db2.gz WHROBMOMWICOQW-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO CN(C)c1cc[nH+]c(-c2cnc(C#N)c(F)c2)c1 ZINC001238987805 966813302 /nfs/dbraw/zinc/81/33/02/966813302.db2.gz KBGPHXBUZAJIQF-UHFFFAOYSA-N 1 0 242.257 2.220 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1O ZINC001203900074 966815701 /nfs/dbraw/zinc/81/57/01/966815701.db2.gz PTIQUIHPWNWTHB-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cc1 ZINC001203903645 966818560 /nfs/dbraw/zinc/81/85/60/966818560.db2.gz KLHVJPRWENVVDX-MELADBBJSA-N 1 0 230.286 2.491 20 30 BEEDRO CO[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001203906773 966819167 /nfs/dbraw/zinc/81/91/67/966819167.db2.gz YWYHTLYQXDZHMA-NSHDSACASA-N 1 0 230.311 2.025 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C(C)=C/c1ccccc1 ZINC001203536385 966831956 /nfs/dbraw/zinc/83/19/56/966831956.db2.gz QLGCQOROTPAFNJ-WSYSLRRZSA-N 1 0 243.350 2.454 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@@H]([NH3+])[C@@H](F)C1 ZINC001239334716 966861150 /nfs/dbraw/zinc/86/11/50/966861150.db2.gz MFILCMZRUAXEMQ-WDEREUQCSA-N 1 0 246.326 2.074 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c(F)c1 ZINC001204119630 966898986 /nfs/dbraw/zinc/89/89/86/966898986.db2.gz GHVXMYNBSBBZMV-IACUBPJLSA-N 1 0 246.285 2.107 20 30 BEEDRO C=CCc1cc(C)cnc1NC1(CC)C[NH2+]C1 ZINC001168580752 966913931 /nfs/dbraw/zinc/91/39/31/966913931.db2.gz OKPCGIAPABVJDJ-UHFFFAOYSA-N 1 0 231.343 2.282 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC1(C)C ZINC001492378467 1169898096 /nfs/dbraw/zinc/89/80/96/1169898096.db2.gz PJAXCZTYEGGGAF-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)CCC ZINC001492381200 1169898115 /nfs/dbraw/zinc/89/81/15/1169898115.db2.gz JSEPAGCXYDEWIX-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO CC(C)[C@@H]1CCCCC[N@@H+]1C[C@H](O)CC#N ZINC001168581690 966919691 /nfs/dbraw/zinc/91/96/91/966919691.db2.gz XDNYYXWEZMMKLP-OLZOCXBDSA-N 1 0 224.348 2.162 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001204369719 966980778 /nfs/dbraw/zinc/98/07/78/966980778.db2.gz AUOCLEPUWRWZJF-MELADBBJSA-N 1 0 230.286 2.491 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@]1(C)O ZINC001204368727 966982681 /nfs/dbraw/zinc/98/26/81/966982681.db2.gz VIUDBIAFDKGWKL-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CCC[N@H+](CCOC)Cc1ccccc1C#N ZINC001204366875 966982788 /nfs/dbraw/zinc/98/27/88/966982788.db2.gz ZUJGFCUFWZIELJ-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001204528509 967029097 /nfs/dbraw/zinc/02/90/97/967029097.db2.gz ZFOGOLYNBZNVTI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(OC)c(C)n2)CC1 ZINC001249914790 967151896 /nfs/dbraw/zinc/15/18/96/967151896.db2.gz XFPKKQGRBBQIHH-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO C=CCOc1cccc(CN2CC[C@@](C)([NH3+])C2)c1 ZINC001204791386 967168838 /nfs/dbraw/zinc/16/88/38/967168838.db2.gz PYNVDBMSKXGNAI-OAHLLOKOSA-N 1 0 246.354 2.175 20 30 BEEDRO C[NH+](C)CC(C)(C)CNc1cccc(CC#N)n1 ZINC001168767926 967173232 /nfs/dbraw/zinc/17/32/32/967173232.db2.gz MWPHXIPITIWTPU-UHFFFAOYSA-N 1 0 246.358 2.147 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715561482 967184770 /nfs/dbraw/zinc/18/47/70/967184770.db2.gz LFNOFHPRGWRZIJ-AGIUHOORSA-N 1 0 223.364 2.141 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC001205037195 967235777 /nfs/dbraw/zinc/23/57/77/967235777.db2.gz KRQWQAXMSOZINB-QWHCGFSZSA-N 1 0 232.327 2.420 20 30 BEEDRO C#CCSCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921769493 967252610 /nfs/dbraw/zinc/25/26/10/967252610.db2.gz QXICIMPFDJCENT-UHFFFAOYSA-N 1 0 249.383 2.064 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)C2=CCCC2)CC1 ZINC001204957142 967256268 /nfs/dbraw/zinc/25/62/68/967256268.db2.gz YNUPMTAELMNIJD-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC001204984062 967275704 /nfs/dbraw/zinc/27/57/04/967275704.db2.gz FMWJFKSQASVVBM-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC001204984068 967275718 /nfs/dbraw/zinc/27/57/18/967275718.db2.gz FMWJFKSQASVVBM-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C#CCO[C@@H](CC[NH+](C)C)c1cccs1 ZINC001205006103 967289260 /nfs/dbraw/zinc/28/92/60/967289260.db2.gz CMWPHMSJUGTZGT-NSHDSACASA-N 1 0 223.341 2.391 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]CCCC ZINC001485852799 967293800 /nfs/dbraw/zinc/29/38/00/967293800.db2.gz FGGSKMGGJUPTBR-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC1CCC1 ZINC001485860719 967295655 /nfs/dbraw/zinc/29/56/55/967295655.db2.gz CPEMKNWGKKUKBP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001485853371 967297007 /nfs/dbraw/zinc/29/70/07/967297007.db2.gz LJWPLTKMFZRSTR-IOCXFXADSA-N 1 0 244.766 2.142 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001313443050 1169904510 /nfs/dbraw/zinc/90/45/10/1169904510.db2.gz JXYNIWPSTREGMR-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO N#Cc1cc(CN2CCC[C@@H]([NH3+])CC2)ccc1F ZINC001205095356 967339028 /nfs/dbraw/zinc/33/90/28/967339028.db2.gz XGMZFTNJDSQSHW-CYBMUJFWSA-N 1 0 247.317 2.011 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccco2)C1 ZINC001486102803 967350569 /nfs/dbraw/zinc/35/05/69/967350569.db2.gz WZICSRAERXLEIQ-NWDGAFQWSA-N 1 0 248.326 2.048 20 30 BEEDRO N#Cc1ccc(CN2CCC[C@H]([NH3+])CC2)c(F)c1 ZINC001205109473 967351967 /nfs/dbraw/zinc/35/19/67/967351967.db2.gz GSLMXHMJTROQAK-ZDUSSCGKSA-N 1 0 247.317 2.011 20 30 BEEDRO Cc1ccc(CN2CCC[C@H]([NH3+])CC2)c(C#N)c1 ZINC001205117531 967367903 /nfs/dbraw/zinc/36/79/03/967367903.db2.gz QINAQNPKADTXRR-HNNXBMFYSA-N 1 0 243.354 2.180 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC001205137515 967382332 /nfs/dbraw/zinc/38/23/32/967382332.db2.gz ZDHBAJLFQGUCDQ-CQSZACIVSA-N 1 0 228.339 2.332 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001486454767 967390989 /nfs/dbraw/zinc/39/09/89/967390989.db2.gz CYKLIFMSYJXCOL-PNESKVBLSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(OC)cc1C ZINC000921966107 967436084 /nfs/dbraw/zinc/43/60/84/967436084.db2.gz BYQIJFXMRAQOKE-ZDUSSCGKSA-N 1 0 249.354 2.278 20 30 BEEDRO C[NH+](C)CCCc1cc(F)c(C#N)c(F)c1 ZINC001250164202 967460463 /nfs/dbraw/zinc/46/04/63/967460463.db2.gz GKUDHRDZIMDQAL-UHFFFAOYSA-N 1 0 224.254 2.331 20 30 BEEDRO Cc1ccc(C#N)cc1CCC[NH+](C)C ZINC001250165220 967464083 /nfs/dbraw/zinc/46/40/83/967464083.db2.gz XYLXYQYJPPQPNG-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CCC(=C)C ZINC001128409122 967546238 /nfs/dbraw/zinc/54/62/38/967546238.db2.gz UIKWWZSXKXQKLJ-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CC/C=C\CC ZINC001128409155 967546263 /nfs/dbraw/zinc/54/62/63/967546263.db2.gz VGPZVBCDJBAADP-WAYWQWQTSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCCCCCC[N@@H+](C)C[C@H]1CNCCO1 ZINC001205376167 967598156 /nfs/dbraw/zinc/59/81/56/967598156.db2.gz CTSBWLDYZHNJAE-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CCCCCCC[N@@H+](C)C[C@@H]1CNCCO1 ZINC001205376165 967599654 /nfs/dbraw/zinc/59/96/54/967599654.db2.gz CTSBWLDYZHNJAE-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO Cc1ccc(NCCCC[NH+](C)C)c(C#N)n1 ZINC001161730731 967618322 /nfs/dbraw/zinc/61/83/22/967618322.db2.gz CQIJYBHTEAFOKZ-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CCn1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001205545069 967681002 /nfs/dbraw/zinc/68/10/02/967681002.db2.gz QIMRNCBZJZPMJP-LBPRGKRZSA-N 1 0 232.331 2.029 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1Cc2cccc(Cl)c2C1 ZINC001168736198 967697678 /nfs/dbraw/zinc/69/76/78/967697678.db2.gz WIIHSHHSLBAALL-LLVKDONJSA-N 1 0 219.715 2.372 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168744886 967722654 /nfs/dbraw/zinc/72/26/54/967722654.db2.gz SIDJRVMOZWJKJR-ZDUSSCGKSA-N 1 0 243.737 2.376 20 30 BEEDRO C=CCCC[NH2+]Cc1n[nH]cc1Br ZINC001205639979 967743008 /nfs/dbraw/zinc/74/30/08/967743008.db2.gz RMTMIZZEEUCJDJ-UHFFFAOYSA-N 1 0 244.136 2.228 20 30 BEEDRO CSC[C@](C)(O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695786825 967808663 /nfs/dbraw/zinc/80/86/63/967808663.db2.gz LJGJSEQWBRVCFM-CMPLNLGQSA-N 1 0 244.404 2.018 20 30 BEEDRO N#CC1(CNc2ccccc2CC[NH3+])CCC1 ZINC001162411696 967831139 /nfs/dbraw/zinc/83/11/39/967831139.db2.gz BGJAHJZQJNIUOW-UHFFFAOYSA-N 1 0 229.327 2.294 20 30 BEEDRO C#CCCCNc1cccc2c1CC[C@H]2[NH3+] ZINC001162446302 967837985 /nfs/dbraw/zinc/83/79/85/967837985.db2.gz BBGAOVFERWIMSD-CYBMUJFWSA-N 1 0 214.312 2.458 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001273140996 967881834 /nfs/dbraw/zinc/88/18/34/967881834.db2.gz QSCXQHWOCKMRIF-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001206066379 968035171 /nfs/dbraw/zinc/03/51/71/968035171.db2.gz VNYCFVYYOXPQJG-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCCCN1C[C@H]([NH3+])CC(F)(F)C1 ZINC001206117500 968070186 /nfs/dbraw/zinc/07/01/86/968070186.db2.gz PSCTZZJFLCMJOT-LLVKDONJSA-N 1 0 232.318 2.401 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001206220703 968150414 /nfs/dbraw/zinc/15/04/14/968150414.db2.gz CMTPOIJFZDCDMH-JTQLQIEISA-N 1 0 236.281 2.308 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CCCF ZINC001164064345 968170439 /nfs/dbraw/zinc/17/04/39/968170439.db2.gz OVJCBGCDYFNHTO-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc(F)c(C#N)c2)C1 ZINC001250636181 968180398 /nfs/dbraw/zinc/18/03/98/968180398.db2.gz ULEYGTPDFLYWLZ-UHFFFAOYSA-N 1 0 216.259 2.416 20 30 BEEDRO C[C@H](CC(C)(C)S)OCCC[NH+](C)C ZINC001206302580 968210314 /nfs/dbraw/zinc/21/03/14/968210314.db2.gz MULNEORMOKHSGI-SNVBAGLBSA-N 1 0 219.394 2.442 20 30 BEEDRO CCCCCCCN1C[C@H]([NH3+])C[C@H](F)C1 ZINC001206403791 968283739 /nfs/dbraw/zinc/28/37/39/968283739.db2.gz JKDPLISBAJRZJZ-NWDGAFQWSA-N 1 0 216.344 2.328 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CC1CCC1 ZINC001165531628 968290293 /nfs/dbraw/zinc/29/02/93/968290293.db2.gz UVSDZOKNLYBRNC-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#Cc1cccc(N(C)C(=O)C[NH2+]C(C)(C)C)c1 ZINC001251606010 968295913 /nfs/dbraw/zinc/29/59/13/968295913.db2.gz MZUTVXFJJIVFCR-UHFFFAOYSA-N 1 0 244.338 2.019 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C=CCC2)c1 ZINC000698327475 968337525 /nfs/dbraw/zinc/33/75/25/968337525.db2.gz LUVXCKCUVUFISX-SNVBAGLBSA-N 1 0 204.298 2.428 20 30 BEEDRO CC[C@@H](O)C[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001251817861 968350504 /nfs/dbraw/zinc/35/05/04/968350504.db2.gz XYXMYRUZAXVONY-LLVKDONJSA-N 1 0 238.718 2.072 20 30 BEEDRO COc1cc[nH+]c(N2CCC[C@@H](CC#N)C2)c1 ZINC001166740718 968378337 /nfs/dbraw/zinc/37/83/37/968378337.db2.gz PDVIBXVDQZZNDS-NSHDSACASA-N 1 0 231.299 2.220 20 30 BEEDRO N#CCc1ccccc1Nc1cc[nH+]c(N)c1 ZINC001206562072 968382890 /nfs/dbraw/zinc/38/28/90/968382890.db2.gz XITUSOACJNMYIZ-UHFFFAOYSA-N 1 0 224.267 2.473 20 30 BEEDRO C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C[C@@H]1O ZINC001168766144 968497968 /nfs/dbraw/zinc/49/79/68/968497968.db2.gz QNJLBQLBSJPJSE-ABXWRUBCSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCCSCC1 ZINC000822022997 968503271 /nfs/dbraw/zinc/50/32/71/968503271.db2.gz RNAGLISIYAYDNG-NSHDSACASA-N 1 0 229.414 2.228 20 30 BEEDRO CCCC[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001252108733 968593560 /nfs/dbraw/zinc/59/35/60/968593560.db2.gz RPFQEXPTUCEHNE-HNNXBMFYSA-N 1 0 246.354 2.241 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CC(O)C1 ZINC001252121017 968605636 /nfs/dbraw/zinc/60/56/36/968605636.db2.gz BBLHBSRRVYXOJA-ROKHWSDSSA-N 1 0 243.391 2.211 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccco2)C1 ZINC001207081224 968614479 /nfs/dbraw/zinc/61/44/79/968614479.db2.gz FXUVCGSTGCGXTL-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)CC(C)C)C1 ZINC001207090513 968622110 /nfs/dbraw/zinc/62/21/10/968622110.db2.gz IGGGQUCYDSEKNH-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO COc1ccc(CC#N)cc1C1=CCC[NH2+]C1 ZINC001240663697 968631322 /nfs/dbraw/zinc/63/13/22/968631322.db2.gz AZKSPAFSHWXYNU-UHFFFAOYSA-N 1 0 228.295 2.138 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@](C)(CF)C2)cc1C#N ZINC001207102808 968631471 /nfs/dbraw/zinc/63/14/71/968631471.db2.gz HJOCBLQERHWRQN-CYBMUJFWSA-N 1 0 235.306 2.078 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CF)C2)cc1C#N ZINC001207106082 968633514 /nfs/dbraw/zinc/63/35/14/968633514.db2.gz FCOKIKCYBZWHBR-NSHDSACASA-N 1 0 235.306 2.078 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](C)CC ZINC001154783007 968665540 /nfs/dbraw/zinc/66/55/40/968665540.db2.gz ZXPRSDQTBCNHHC-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC=CCC1)C1CSC1 ZINC001207218959 968688831 /nfs/dbraw/zinc/68/88/31/968688831.db2.gz VCIMATOATZKKLX-GFCCVEGCSA-N 1 0 221.369 2.393 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C(CC)CC ZINC001154835204 968692450 /nfs/dbraw/zinc/69/24/50/968692450.db2.gz XCSJGGMMZOASAB-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCN(C(=O)C(C)C)C1 ZINC001207342024 968729134 /nfs/dbraw/zinc/72/91/34/968729134.db2.gz ATAVXWYMBKORIV-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CC1(C)C[C@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC001207350697 968731903 /nfs/dbraw/zinc/73/19/03/968731903.db2.gz QROQNENADTWQNH-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO CC1(C)C[C@@H](C[NH+]2CC(CC#N)C2)CCO1 ZINC001207353213 968733933 /nfs/dbraw/zinc/73/39/33/968733933.db2.gz MKQWBUYJEYDPHQ-NSHDSACASA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)c1ccc(OCC2CC[NH2+]CC2)cn1 ZINC001240834091 968742689 /nfs/dbraw/zinc/74/26/89/968742689.db2.gz FIIGNPGDYKSRIS-UHFFFAOYSA-N 1 0 232.327 2.493 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C1CCCCCCC1 ZINC001252487988 968745179 /nfs/dbraw/zinc/74/51/79/968745179.db2.gz CZRRGIXHXZCDOH-CQSZACIVSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC001252487922 968747142 /nfs/dbraw/zinc/74/71/42/968747142.db2.gz BTXKSHBJURQGCZ-UONOGXRCSA-N 1 0 249.354 2.209 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC001207394648 968751744 /nfs/dbraw/zinc/75/17/44/968751744.db2.gz TUCPHXKIYKREGA-GDBMZVCRSA-N 1 0 245.366 2.462 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001252541520 968774888 /nfs/dbraw/zinc/77/48/88/968774888.db2.gz NKNOIDIQVAFEIU-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1cccc(C)c1 ZINC001252541488 968775013 /nfs/dbraw/zinc/77/50/13/968775013.db2.gz MLLNAUKILMKQDZ-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001252541846 968775399 /nfs/dbraw/zinc/77/53/99/968775399.db2.gz UTQWZABMNPJTFW-GXFFZTMASA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC001252541337 968776522 /nfs/dbraw/zinc/77/65/22/968776522.db2.gz JDKVKPRNBVMQBU-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001085541492 968790182 /nfs/dbraw/zinc/79/01/82/968790182.db2.gz ANTFDQCOXMCGHQ-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCc2sccc2C1 ZINC001252550918 968792975 /nfs/dbraw/zinc/79/29/75/968792975.db2.gz RHIQBEFBDLPATJ-LBPRGKRZSA-N 1 0 223.341 2.043 20 30 BEEDRO COc1ccc(CC[NH+]2CC(CC#N)C2)cc1 ZINC001207472672 968793387 /nfs/dbraw/zinc/79/33/87/968793387.db2.gz UHAMDQORXOOWPY-UHFFFAOYSA-N 1 0 230.311 2.083 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001252554216 968793365 /nfs/dbraw/zinc/79/33/65/968793365.db2.gz DDGJKVROMRDVFZ-ZIAGYGMSSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001252554643 968794746 /nfs/dbraw/zinc/79/47/46/968794746.db2.gz JEIYIINMJTXTFD-CABCVRRESA-N 1 0 246.354 2.026 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC001252554443 968795912 /nfs/dbraw/zinc/79/59/12/968795912.db2.gz GWDQACKHICHULW-OAHLLOKOSA-N 1 0 231.339 2.024 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1ccc(C)cc1 ZINC001252554642 968796727 /nfs/dbraw/zinc/79/67/27/968796727.db2.gz JANQFOHASZVQMG-OAHLLOKOSA-N 1 0 233.355 2.406 20 30 BEEDRO C[NH+]1CCC(CCN2CCCC[C@@H]2C#N)CC1 ZINC001207487258 968798882 /nfs/dbraw/zinc/79/88/82/968798882.db2.gz VPQCYSPXPKUCMV-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001252557716 968799697 /nfs/dbraw/zinc/79/96/97/968799697.db2.gz KCLYACPEEWPJDW-HUUCEWRRSA-N 1 0 246.354 2.464 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)CCF ZINC001154957262 968802346 /nfs/dbraw/zinc/80/23/46/968802346.db2.gz AYXWXTBKALUZQD-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001252558268 968803192 /nfs/dbraw/zinc/80/31/92/968803192.db2.gz NPGHTSCXOAVTER-RWMBFGLXSA-N 1 0 209.333 2.045 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccccc1F ZINC001207495693 968805546 /nfs/dbraw/zinc/80/55/46/968805546.db2.gz BBDFZOKTIASTOE-UHFFFAOYSA-N 1 0 229.298 2.327 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](CC)Cc1ccc(OC)cc1 ZINC001252558841 968805435 /nfs/dbraw/zinc/80/54/35/968805435.db2.gz ORWMKSYPNQMWJO-HNNXBMFYSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](CC)Cc1ccccc1O ZINC001252558069 968805656 /nfs/dbraw/zinc/80/56/56/968805656.db2.gz MFRDMEHFAQTGKK-AWEZNQCLSA-N 1 0 235.327 2.151 20 30 BEEDRO C#CC[NH+](CC#C)CCc1cccc(C)c1 ZINC001207536041 968815909 /nfs/dbraw/zinc/81/59/09/968815909.db2.gz BWVYJGJGAKPTAE-UHFFFAOYSA-N 1 0 211.308 2.106 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001252569305 968817449 /nfs/dbraw/zinc/81/74/49/968817449.db2.gz RHOHRYXRMUETIT-CQSZACIVSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001252567859 968818098 /nfs/dbraw/zinc/81/80/98/968818098.db2.gz DOBQCYFMHZJLTD-RISCZKNCSA-N 1 0 230.311 2.146 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179150 968820476 /nfs/dbraw/zinc/82/04/76/968820476.db2.gz KIKWVLCQZRXJAG-NWDGAFQWSA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(F)c(C)c1 ZINC001252573138 968822843 /nfs/dbraw/zinc/82/28/43/968822843.db2.gz ZLHKQIWWPQZTKC-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001252573143 968823743 /nfs/dbraw/zinc/82/37/43/968823743.db2.gz ZRIFHIVLTVAGGZ-GFCCVEGCSA-N 1 0 245.244 2.131 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc2ncccc12 ZINC001252574822 968825058 /nfs/dbraw/zinc/82/50/58/968825058.db2.gz RLXFTOUDXCLTSV-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1csc(C)n1 ZINC001252574658 968825373 /nfs/dbraw/zinc/82/53/73/968825373.db2.gz OSEGUUMGTZDHJQ-KCJUWKMLSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](CC)c1ccncc1 ZINC001252575561 968827680 /nfs/dbraw/zinc/82/76/80/968827680.db2.gz DCBDIGFMJGITQG-OLZOCXBDSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)c(F)c1F ZINC001252576316 968828871 /nfs/dbraw/zinc/82/88/71/968828871.db2.gz KMRFJEWEKPSBMT-ZDUSSCGKSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001252577573 968830096 /nfs/dbraw/zinc/83/00/96/968830096.db2.gz KOYKXNLJJDNWHU-UONOGXRCSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)Cc1ccncc1 ZINC001252583869 968837777 /nfs/dbraw/zinc/83/77/77/968837777.db2.gz VAYZNDVTCGEHAQ-OAHLLOKOSA-N 1 0 248.370 2.177 20 30 BEEDRO CC[N@H+](CCC#N)C[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207626891 968841603 /nfs/dbraw/zinc/84/16/03/968841603.db2.gz NJXAVGXXEBHBCP-XQQFMLRXSA-N 1 0 204.317 2.434 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC001252589773 968845288 /nfs/dbraw/zinc/84/52/88/968845288.db2.gz QVEUFXCMNLKVKB-LLVKDONJSA-N 1 0 233.302 2.481 20 30 BEEDRO C=CCC[C@@H](O)CNc1c[nH+]c2cccc(C)n12 ZINC001252591999 968851545 /nfs/dbraw/zinc/85/15/45/968851545.db2.gz IPIYAVCWFYRREX-GFCCVEGCSA-N 1 0 245.326 2.382 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001252597358 968856288 /nfs/dbraw/zinc/85/62/88/968856288.db2.gz ZLSXPMJKERMCQH-TUAOUCFPSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)OC ZINC001252600026 968857355 /nfs/dbraw/zinc/85/73/55/968857355.db2.gz UOSGWQPJFZJNEV-OLZOCXBDSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCc2ncc(C)cc2C1 ZINC001252604671 968862198 /nfs/dbraw/zinc/86/21/98/968862198.db2.gz WUZBRORNNKOWIZ-AWEZNQCLSA-N 1 0 246.354 2.075 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(Br)CC2)C1 ZINC001207712029 968864341 /nfs/dbraw/zinc/86/43/41/968864341.db2.gz SGYIUMOSGOAJEB-BDAKNGLRSA-N 1 0 243.148 2.196 20 30 BEEDRO C#CC[N@@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001207711485 968865182 /nfs/dbraw/zinc/86/51/82/968865182.db2.gz ICTDQOYGUFMLSS-UHFFFAOYSA-N 1 0 232.283 2.277 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001252612212 968869585 /nfs/dbraw/zinc/86/95/85/968869585.db2.gz KILYLJCZGXCVCM-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)CCCC(C)(C)O ZINC001252615715 968874551 /nfs/dbraw/zinc/87/45/51/968874551.db2.gz DGQZIHJVGROFBJ-OLZOCXBDSA-N 1 0 243.391 2.233 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCOc1cccc(C)c1 ZINC001252616326 968874793 /nfs/dbraw/zinc/87/47/93/968874793.db2.gz NMKKPLVSDVTMKX-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCCc1ccccn1 ZINC001252617134 968875231 /nfs/dbraw/zinc/87/52/31/968875231.db2.gz YZNQEUPZCMFYBE-HNNXBMFYSA-N 1 0 248.370 2.321 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC[C@H](O)c1ccccc1 ZINC001252615953 968875253 /nfs/dbraw/zinc/87/52/53/968875253.db2.gz JAWSLFKUPWCEKI-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(C(C)=O)cc1 ZINC001252618380 968877140 /nfs/dbraw/zinc/87/71/40/968877140.db2.gz TXVBKIXZTGSHBF-HNNXBMFYSA-N 1 0 247.338 2.306 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001252618105 968878566 /nfs/dbraw/zinc/87/85/66/968878566.db2.gz PAQFIDBDOHCGBV-ZDUSSCGKSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C)n1 ZINC001252618357 968878626 /nfs/dbraw/zinc/87/86/26/968878626.db2.gz SVCSHGCXUGHRMD-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)COc1ccccc1 ZINC001252619577 968879670 /nfs/dbraw/zinc/87/96/70/968879670.db2.gz MZHIORVWWMWNBE-ZIAGYGMSSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C)CC1 ZINC001252620808 968880181 /nfs/dbraw/zinc/88/01/81/968880181.db2.gz ZUGKMSQSHRDGRY-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1(CC2CC2)CC1 ZINC001252623533 968882661 /nfs/dbraw/zinc/88/26/61/968882661.db2.gz LNRAHDVNLHIHGX-CYBMUJFWSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001252621138 968882839 /nfs/dbraw/zinc/88/28/39/968882839.db2.gz XCNHNQJNTRBHRA-OAHLLOKOSA-N 1 0 248.370 2.169 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001252621111 968883607 /nfs/dbraw/zinc/88/36/07/968883607.db2.gz WPWWMSGCJVXDHB-JTQLQIEISA-N 1 0 236.340 2.036 20 30 BEEDRO C=CCC[C@@H](O)CNC(=[NH2+])c1ccc(C)c(C)c1 ZINC001252623965 968886056 /nfs/dbraw/zinc/88/60/56/968886056.db2.gz UQNXNCQNCOMPMM-CQSZACIVSA-N 1 0 246.354 2.336 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCO1)C2 ZINC001207847485 968903539 /nfs/dbraw/zinc/90/35/39/968903539.db2.gz UGHKFQFLXYWXRZ-HNNXBMFYSA-N 1 0 242.322 2.095 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC001207932533 968937525 /nfs/dbraw/zinc/93/75/25/968937525.db2.gz ZRSUMWIRVOUQPQ-LBPRGKRZSA-N 1 0 227.348 2.426 20 30 BEEDRO CCC[C@@H](O)C[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001252778219 968950622 /nfs/dbraw/zinc/95/06/22/968950622.db2.gz IEXVOMGCSRIOIC-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO CCC[C@@H](O)C[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001252779823 968953902 /nfs/dbraw/zinc/95/39/02/968953902.db2.gz SNDFKBXFKWAWMG-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO CC1(C[N@@H+]2CCC[C@H](C#N)C2)CCOCC1 ZINC001207969659 968968015 /nfs/dbraw/zinc/96/80/15/968968015.db2.gz RADSNKAPEFKJDB-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO CCC[C@@H](O)C[NH2+]CCCCCCS ZINC001252808540 968997907 /nfs/dbraw/zinc/99/79/07/968997907.db2.gz SZEPMSKHEQSBCX-LLVKDONJSA-N 1 0 219.394 2.227 20 30 BEEDRO C[N@@H+]1CCC=C(c2cnc3[nH]cc(C#N)c3c2)C1 ZINC001241570753 969069398 /nfs/dbraw/zinc/06/93/98/969069398.db2.gz KZRIMPKKLWUZDV-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C[C@](O)(C[NH2+]CC1(C#N)CCC1)c1ccccc1 ZINC001253113089 969089567 /nfs/dbraw/zinc/08/95/67/969089567.db2.gz XXZIBWGRJNEBEG-AWEZNQCLSA-N 1 0 244.338 2.178 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC001208167381 969099066 /nfs/dbraw/zinc/09/90/66/969099066.db2.gz FNNJWGRARWXQCH-KGLIPLIRSA-N 1 0 248.370 2.239 20 30 BEEDRO C[NH+](C)CC1(CN2CCC[C@H]2C#N)CCCC1 ZINC001208181963 969114109 /nfs/dbraw/zinc/11/41/09/969114109.db2.gz FPJZRMGICHSQCJ-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H](C)CO ZINC001253248808 969122634 /nfs/dbraw/zinc/12/26/34/969122634.db2.gz CERJPFDOERSNBX-KBPBESRZSA-N 1 0 243.391 2.092 20 30 BEEDRO CCN(CCC#N)CC1(C[NH+](C)C)CCCC1 ZINC001208192992 969122597 /nfs/dbraw/zinc/12/25/97/969122597.db2.gz YSHJSJCJUYXIQC-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@H](C)CCO ZINC001253247410 969124074 /nfs/dbraw/zinc/12/40/74/969124074.db2.gz IXJLNSOOXJHKRT-ZIAGYGMSSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1CC(=O)C1 ZINC001253248058 969124354 /nfs/dbraw/zinc/12/43/54/969124354.db2.gz PPGWUCIUBCPTFC-CYBMUJFWSA-N 1 0 239.359 2.195 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H](O)CCCCCCC=C ZINC001253250519 969124390 /nfs/dbraw/zinc/12/43/90/969124390.db2.gz BCDNNDVVFOZPBJ-ZIAGYGMSSA-N 1 0 223.360 2.485 20 30 BEEDRO C=CC[NH+]1CCN(CCc2cccc(F)c2)CC1 ZINC001208197404 969128145 /nfs/dbraw/zinc/12/81/45/969128145.db2.gz LPQWIRCAPVHHQE-UHFFFAOYSA-N 1 0 248.345 2.172 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000165862518 969132395 /nfs/dbraw/zinc/13/23/95/969132395.db2.gz XSBGNTPGPTVEFI-BONVTDFDSA-N 1 0 223.341 2.088 20 30 BEEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001208351234 969138968 /nfs/dbraw/zinc/13/89/68/969138968.db2.gz ZZRLPOHHJNNMBN-XCEACWERSA-N 1 0 248.370 2.131 20 30 BEEDRO C=CCCCC(=O)NCC1([NH2+]CC(C)C)CC1 ZINC001323525005 1169933219 /nfs/dbraw/zinc/93/32/19/1169933219.db2.gz LPKMZJNCCYHULQ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1ccc(C#N)c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC001242020698 969175258 /nfs/dbraw/zinc/17/52/58/969175258.db2.gz VMIFVFSAOWPWOD-OLZOCXBDSA-N 1 0 225.295 2.169 20 30 BEEDRO Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc(C)c1C#N ZINC001242021253 969176442 /nfs/dbraw/zinc/17/64/42/969176442.db2.gz DNDUSRKTYGTBEE-OLZOCXBDSA-N 1 0 239.322 2.478 20 30 BEEDRO C[C@@H](C[NH+]1CC(CC#N)C1)OCc1ccccc1 ZINC001208698647 969199480 /nfs/dbraw/zinc/19/94/80/969199480.db2.gz KRQPLBCEIJIDOG-ZDUSSCGKSA-N 1 0 244.338 2.437 20 30 BEEDRO CCCCC[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001253540010 969213809 /nfs/dbraw/zinc/21/38/09/969213809.db2.gz CBINAKUCONGNRC-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC(NCCCCc1ccccn1)=[NH+]COC ZINC001168792777 969214843 /nfs/dbraw/zinc/21/48/43/969214843.db2.gz CRYKSVLGOATMHG-UHFFFAOYSA-N 1 0 247.342 2.182 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)CCC ZINC001168820658 969226118 /nfs/dbraw/zinc/22/61/18/969226118.db2.gz JQVFBYRYGNJIAN-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+][C@H](CC)CC#N ZINC001253556737 969231619 /nfs/dbraw/zinc/23/16/19/969231619.db2.gz YXONJOUZNJTBAY-VXGBXAGGSA-N 1 0 212.337 2.209 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001253571428 969243875 /nfs/dbraw/zinc/24/38/75/969243875.db2.gz GZSYABBVQPOMPQ-CYBMUJFWSA-N 1 0 247.338 2.077 20 30 BEEDRO CC[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208846179 969253618 /nfs/dbraw/zinc/25/36/18/969253618.db2.gz XPWHAXVJJOGEDS-UHFFFAOYSA-N 1 0 202.301 2.443 20 30 BEEDRO COCC[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208846142 969254770 /nfs/dbraw/zinc/25/47/70/969254770.db2.gz XGPOWWHULSYAPM-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001253581275 969254948 /nfs/dbraw/zinc/25/49/48/969254948.db2.gz CEHQWMKNKSMZBA-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO COc1ccc(NC2=CC[N@H+](C)CC2)cc1C#N ZINC001208844643 969255791 /nfs/dbraw/zinc/25/57/91/969255791.db2.gz SLVMBKDQPRNTGR-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCCc1ccccc1 ZINC001253582596 969259642 /nfs/dbraw/zinc/25/96/42/969259642.db2.gz QSNNLRMKEBSVKJ-CQSZACIVSA-N 1 0 219.328 2.098 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001253582633 969260781 /nfs/dbraw/zinc/26/07/81/969260781.db2.gz RJYINUMIUKIMOI-CABCVRRESA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)CCCc1cccc(OC)c1 ZINC001253583532 969263553 /nfs/dbraw/zinc/26/35/53/969263553.db2.gz GLVBWHNMLMWCCB-AWEZNQCLSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@H](O)C[N@H+](CC)CCc1ccc(OC)cc1 ZINC001253584027 969263688 /nfs/dbraw/zinc/26/36/88/969263688.db2.gz CRMUUAZEWYTURP-AWEZNQCLSA-N 1 0 249.354 2.107 20 30 BEEDRO C[C@@H](CN1CC[C@@H](C#N)C1)C(F)(F)F ZINC001208905344 969296421 /nfs/dbraw/zinc/29/64/21/969296421.db2.gz NOCHKKTVKOUYCE-YUMQZZPRSA-N 1 0 206.211 2.030 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(OC(C)C)cc1 ZINC001253597670 969287318 /nfs/dbraw/zinc/28/73/18/969287318.db2.gz HFIIZNUTDOFPJM-ZDUSSCGKSA-N 1 0 235.327 2.110 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC001253600480 969292683 /nfs/dbraw/zinc/29/26/83/969292683.db2.gz YXMISNQSMURULF-LBPRGKRZSA-N 1 0 205.301 2.058 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC001253600970 969294117 /nfs/dbraw/zinc/29/41/17/969294117.db2.gz ISZJRZMMWLPBPE-NSHDSACASA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCc1c[nH]c2ccccc12 ZINC001253600883 969294710 /nfs/dbraw/zinc/29/47/10/969294710.db2.gz HELDSFUJJHTEAD-CYBMUJFWSA-N 1 0 244.338 2.237 20 30 BEEDRO C[N@H+]1CC=C(Nc2cccc(CC#N)c2)CC1 ZINC001208910408 969295454 /nfs/dbraw/zinc/29/54/54/969295454.db2.gz ONYGTJRSAFDZNE-UHFFFAOYSA-N 1 0 227.311 2.384 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc2ccccc2c1 ZINC001253601668 969296418 /nfs/dbraw/zinc/29/64/18/969296418.db2.gz UPIRSSUZHTYCGH-HNNXBMFYSA-N 1 0 227.307 2.476 20 30 BEEDRO C#CC[N@@H+](C)CC1CCN(c2ccccc2)CC1 ZINC001208914830 969296907 /nfs/dbraw/zinc/29/69/07/969296907.db2.gz TVRFMPODSZYYEA-UHFFFAOYSA-N 1 0 242.366 2.468 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC001253601191 969297168 /nfs/dbraw/zinc/29/71/68/969297168.db2.gz MCGFJSOLHYLMTB-JTQLQIEISA-N 1 0 237.730 2.466 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001253607473 969305767 /nfs/dbraw/zinc/30/57/67/969305767.db2.gz XPQQWPDAOAXHAY-ZDUSSCGKSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCC1CCCCC1 ZINC001253608225 969307588 /nfs/dbraw/zinc/30/75/88/969307588.db2.gz KBZRGYVIDOMGCY-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001253608240 969308618 /nfs/dbraw/zinc/30/86/18/969308618.db2.gz KDARHNYHHYBJJV-IUCAKERBSA-N 1 0 227.254 2.162 20 30 BEEDRO C#CC1CC[NH+](CC(C)(C)C(=O)CC)CC1 ZINC001208922407 969308661 /nfs/dbraw/zinc/30/86/61/969308661.db2.gz ZWCWCHPZSHEXSA-UHFFFAOYSA-N 1 0 221.344 2.337 20 30 BEEDRO CCC(=O)C(C)(C)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001208921594 969308698 /nfs/dbraw/zinc/30/86/98/969308698.db2.gz GSBVPLNBFRSFTE-ZDUSSCGKSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)CC1CCCCC1 ZINC001253609815 969309689 /nfs/dbraw/zinc/30/96/89/969309689.db2.gz YRHALZPZDPCWEX-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccccc1F)C1CC1 ZINC001253609847 969310010 /nfs/dbraw/zinc/31/00/10/969310010.db2.gz ZGHYMECIAMNKSB-BXUZGUMPSA-N 1 0 235.302 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1OCC ZINC001253609879 969311095 /nfs/dbraw/zinc/31/10/95/969311095.db2.gz LSVBEUKRORRFPK-NWDGAFQWSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1cccc(OC)c1 ZINC001253609931 969311142 /nfs/dbraw/zinc/31/11/42/969311142.db2.gz NEOMCTCNVHDYMM-ZDUSSCGKSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1c[nH]c2ccccc21 ZINC001253611864 969312727 /nfs/dbraw/zinc/31/27/27/969312727.db2.gz UTSZROJRHTYGMT-GHMZBOCLSA-N 1 0 230.311 2.365 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1cccc(OC)c1)C1CC1 ZINC001253610766 969312991 /nfs/dbraw/zinc/31/29/91/969312991.db2.gz IDQIANBYKTVLBV-UKRRQHHQSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1cccc(F)c1OC ZINC001253611594 969313825 /nfs/dbraw/zinc/31/38/25/969313825.db2.gz SEKGPZIYRWSRGZ-NXEZZACHSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001253610469 969313943 /nfs/dbraw/zinc/31/39/43/969313943.db2.gz SUTHRFVZLKITKF-KGLIPLIRSA-N 1 0 235.302 2.413 20 30 BEEDRO C=CCN(CC[N@@H+](C)CCCC)C(=O)OCC ZINC001209016163 969317877 /nfs/dbraw/zinc/31/78/77/969317877.db2.gz VCIOHKXLEDSMJI-UHFFFAOYSA-N 1 0 242.363 2.363 20 30 BEEDRO C=CCN(CC[NH+]1CCCCC1)C(=O)OCC ZINC001209015207 969319397 /nfs/dbraw/zinc/31/93/97/969319397.db2.gz JNEYDNDQPVITQA-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO Cc1cnc(C[NH3+])n1-c1ccc(CCC#N)cc1 ZINC001169028071 969348276 /nfs/dbraw/zinc/34/82/76/969348276.db2.gz HTZHQRGFONMXEA-UHFFFAOYSA-N 1 0 240.310 2.096 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC(C)(C)OCC)C1 ZINC001209077907 969350454 /nfs/dbraw/zinc/35/04/54/969350454.db2.gz RHCOYSNZVUQJTF-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@@H](O)C(C)(C)C ZINC001253725095 969351174 /nfs/dbraw/zinc/35/11/74/969351174.db2.gz QYKMYGTWKHRNCK-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CC)CC(C)(C)O)cc1 ZINC000289578739 969353784 /nfs/dbraw/zinc/35/37/84/969353784.db2.gz HEGDSQWFTYBSIM-UHFFFAOYSA-N 1 0 231.339 2.261 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001209157566 969360949 /nfs/dbraw/zinc/36/09/49/969360949.db2.gz XKPJOONIOUFSKW-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]C1(CC#N)CCCC1 ZINC001253748212 969364369 /nfs/dbraw/zinc/36/43/69/969364369.db2.gz CMRSWEHZUYRBFW-NSHDSACASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCC[N@H+]1CCc2cnc(OC)cc2C1 ZINC001209165050 969365980 /nfs/dbraw/zinc/36/59/80/969365980.db2.gz NUPHYQJAECFYEI-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001209183893 969375757 /nfs/dbraw/zinc/37/57/57/969375757.db2.gz QNELMRFYTMVWEX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@H](O)C(C)C ZINC001253759693 969382511 /nfs/dbraw/zinc/38/25/11/969382511.db2.gz GEKJLTKPLRDZQY-LBPRGKRZSA-N 1 0 212.337 2.019 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001209200489 969386851 /nfs/dbraw/zinc/38/68/51/969386851.db2.gz IPGXBGXKIILSTE-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001209201761 969387794 /nfs/dbraw/zinc/38/77/94/969387794.db2.gz QXLRAVGTITVZFP-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC1(C#N)CCCCC1)C2 ZINC001169099318 969390343 /nfs/dbraw/zinc/39/03/43/969390343.db2.gz POBVMKGOFAYVQT-BTTYYORXSA-N 1 0 247.386 2.428 20 30 BEEDRO C=CCCCC[NH+]1CC2(C1)CCOCC2 ZINC001209202253 969391284 /nfs/dbraw/zinc/39/12/84/969391284.db2.gz DLQPWWSLJJIUDR-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC)C1 ZINC001209205002 969393583 /nfs/dbraw/zinc/39/35/83/969393583.db2.gz ODSWCMPKBXHQRC-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001209207398 969394341 /nfs/dbraw/zinc/39/43/41/969394341.db2.gz XBIPYSAWDZCQJB-JHJVBQTASA-N 1 0 209.333 2.309 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC1(C#N)CCCC1)C2 ZINC001169078447 969394785 /nfs/dbraw/zinc/39/47/85/969394785.db2.gz FPIOAGHUZRQLQX-ZSOGYDGISA-N 1 0 247.386 2.285 20 30 BEEDRO C=CCCCC[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001209208243 969399499 /nfs/dbraw/zinc/39/94/99/969399499.db2.gz OMTXAQYTMKAKKV-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO COCC[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC001209212449 969400739 /nfs/dbraw/zinc/40/07/39/969400739.db2.gz GLTIFPPEPWSXTO-UHFFFAOYSA-N 1 0 244.338 2.384 20 30 BEEDRO CCC(C#N)(CC)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169119541 969411602 /nfs/dbraw/zinc/41/16/02/969411602.db2.gz UAULEBLFGMQLKJ-CLLJXQQHSA-N 1 0 235.375 2.284 20 30 BEEDRO C#CC[N@H+](C)CCc1cc(F)c(F)cc1F ZINC001209253724 969416783 /nfs/dbraw/zinc/41/67/83/969416783.db2.gz WIKVHAAJBZAWCU-UHFFFAOYSA-N 1 0 227.229 2.211 20 30 BEEDRO C#CCCC[N@H+]1C[C@H]2CCC[C@@]2(COC)C1 ZINC001209267295 969417885 /nfs/dbraw/zinc/41/78/85/969417885.db2.gz NXKWXHOQYADUII-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](Oc2cccc(C)n2)C1 ZINC001209267905 969419060 /nfs/dbraw/zinc/41/90/60/969419060.db2.gz OAOTWNGXAQRPAT-AWEZNQCLSA-N 1 0 244.338 2.257 20 30 BEEDRO COC1CCC(C[N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001209395777 969463309 /nfs/dbraw/zinc/46/33/09/969463309.db2.gz LZUONMFFOIPBPD-OTTFEQOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)c1ccc(-n2ccc([C@@H](C)[NH3+])n2)nc1 ZINC001169230667 969501402 /nfs/dbraw/zinc/50/14/02/969501402.db2.gz VTRVWLMTGLUREZ-SNVBAGLBSA-N 1 0 228.299 2.320 20 30 BEEDRO C[C@H]([NH3+])c1ccn(-c2ccc(CCC#N)cc2)n1 ZINC001169231056 969505493 /nfs/dbraw/zinc/50/54/93/969505493.db2.gz DSTNKKWUOQAJFJ-NSHDSACASA-N 1 0 240.310 2.348 20 30 BEEDRO N#CCCCCc1cn(CCCCCC[NH3+])nn1 ZINC001254157792 969529736 /nfs/dbraw/zinc/52/97/36/969529736.db2.gz XDSGDKAFUMSBPI-UHFFFAOYSA-N 1 0 249.362 2.034 20 30 BEEDRO CC[NH+]1CCC(N[C@@](C)(C#N)CC(C)C)CC1 ZINC001169241896 969530867 /nfs/dbraw/zinc/53/08/67/969530867.db2.gz SHQJPYMUEWXERP-CQSZACIVSA-N 1 0 237.391 2.389 20 30 BEEDRO CN(C)c1cc[nH+]cc1Nc1ccc(C#N)nc1 ZINC001209517535 969531358 /nfs/dbraw/zinc/53/13/58/969531358.db2.gz HYLXAYQQOKPEIV-UHFFFAOYSA-N 1 0 239.282 2.158 20 30 BEEDRO CCN1CCC([N@@H+]2CCC[C@H](CC#N)C2)CC1 ZINC001169258624 969545116 /nfs/dbraw/zinc/54/51/16/969545116.db2.gz PBZSRJOUSFDFLL-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C[N@@H+]1CCC[C@H](NCC#Cc2ccccc2)CC1 ZINC001254506864 969675764 /nfs/dbraw/zinc/67/57/64/969675764.db2.gz BTHBCGCDMDHUHH-INIZCTEOSA-N 1 0 242.366 2.112 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@H]1CCC[N@H+](C)CC1 ZINC001254513439 969682957 /nfs/dbraw/zinc/68/29/57/969682957.db2.gz ZHRAUQMVYHUZNB-UONOGXRCSA-N 1 0 237.391 2.389 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001169504647 969692623 /nfs/dbraw/zinc/69/26/23/969692623.db2.gz PKWHFMJXLMQBEH-ZDUSSCGKSA-N 1 0 226.364 2.167 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1cc(C#N)cnc1C ZINC001209965316 969726624 /nfs/dbraw/zinc/72/66/24/969726624.db2.gz QMFNJXBBWAITBZ-UHFFFAOYSA-N 1 0 239.282 2.291 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1cc(F)cnc1C#N ZINC001209968224 969736462 /nfs/dbraw/zinc/73/64/62/969736462.db2.gz WSCKONQGXAVRGX-UHFFFAOYSA-N 1 0 243.245 2.122 20 30 BEEDRO C=C(C)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571935 969741122 /nfs/dbraw/zinc/74/11/22/969741122.db2.gz DPMDUCWAIBLXEL-LBPRGKRZSA-N 1 0 232.283 2.228 20 30 BEEDRO N#C[C@@H]1CC[C@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC001254634246 969751706 /nfs/dbraw/zinc/75/17/06/969751706.db2.gz AGFKCSNHLIQEFB-CABCVRRESA-N 1 0 243.354 2.140 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(=O)[nH]1 ZINC001254635489 969753014 /nfs/dbraw/zinc/75/30/14/969753014.db2.gz QRVLVBKAZLSBTG-NEPJUHHUSA-N 1 0 245.326 2.186 20 30 BEEDRO N#C[C@H]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001254636137 969753217 /nfs/dbraw/zinc/75/32/17/969753217.db2.gz IYJFVNRNLHQRTM-GXFFZTMASA-N 1 0 240.310 2.360 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C#N)C2)c(=O)[nH]1 ZINC001254635491 969754053 /nfs/dbraw/zinc/75/40/53/969754053.db2.gz QRVLVBKAZLSBTG-RYUDHWBXSA-N 1 0 245.326 2.186 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001254635313 969754653 /nfs/dbraw/zinc/75/46/53/969754653.db2.gz DCNILPJEYBUKNF-QWHCGFSZSA-N 1 0 236.359 2.354 20 30 BEEDRO CCCN(CCC)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254636189 969754681 /nfs/dbraw/zinc/75/46/81/969754681.db2.gz IXDVFPVCDSQYLU-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254643821 969758792 /nfs/dbraw/zinc/75/87/92/969758792.db2.gz RODHFUKAWPTKEB-CYDGBPFRSA-N 1 0 222.332 2.226 20 30 BEEDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254643284 969759163 /nfs/dbraw/zinc/75/91/63/969759163.db2.gz NSEYDRAVLBFWPE-CRWXNKLISA-N 1 0 235.375 2.141 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001254644427 969759254 /nfs/dbraw/zinc/75/92/54/969759254.db2.gz SDCWHFWDZLEVFM-IWMBGFJWSA-N 1 0 234.343 2.106 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001254645498 969761465 /nfs/dbraw/zinc/76/14/65/969761465.db2.gz DAYABHZGVHVVDP-RYUDHWBXSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]COc2ccccc2)C1 ZINC001254647552 969762822 /nfs/dbraw/zinc/76/28/22/969762822.db2.gz UKTRIBVRIXWYBH-RYUDHWBXSA-N 1 0 216.284 2.305 20 30 BEEDRO N#C[C@@H]1CC[C@@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001254650000 969763331 /nfs/dbraw/zinc/76/33/31/969763331.db2.gz SCGALEVTDJBMRI-TZMCWYRMSA-N 1 0 229.327 2.292 20 30 BEEDRO N#C[C@H]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001254650818 969764007 /nfs/dbraw/zinc/76/40/07/969764007.db2.gz XUCXVTXGVHENPS-JQWIXIFHSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001254659379 969769021 /nfs/dbraw/zinc/76/90/21/969769021.db2.gz PCERXHBOESQZEV-ZDCRXTMVSA-N 1 0 226.270 2.266 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254661014 969770011 /nfs/dbraw/zinc/77/00/11/969770011.db2.gz OKZIMFNKRXNQGF-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254660219 969770691 /nfs/dbraw/zinc/77/06/91/969770691.db2.gz GRZRWHVFCMYNGM-MJBXVCDLSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254661144 969771977 /nfs/dbraw/zinc/77/19/77/969771977.db2.gz PNQDVSVCCXAVTB-USZNOCQGSA-N 1 0 210.296 2.359 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001254670832 969777999 /nfs/dbraw/zinc/77/79/99/969777999.db2.gz MRFUYAZVWCKZTP-SVNGYHJRSA-N 1 0 208.280 2.111 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001169626048 969791167 /nfs/dbraw/zinc/79/11/67/969791167.db2.gz RCVBHRXFBAZHFH-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC3CCN(CC3)C2)CCCC1 ZINC001254833649 969797461 /nfs/dbraw/zinc/79/74/61/969797461.db2.gz QRWRFSWXNHCDHP-AWEZNQCLSA-N 1 0 247.386 2.144 20 30 BEEDRO N#CCC1([NH2+][C@@H]2CC3CCN(CC3)C2)CCCC1 ZINC001254852841 969806542 /nfs/dbraw/zinc/80/65/42/969806542.db2.gz JIVGXCFQDGBXGJ-CQSZACIVSA-N 1 0 247.386 2.287 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCCC1 ZINC001254913497 969818083 /nfs/dbraw/zinc/81/80/83/969818083.db2.gz CVLUHIVEMUNIBA-ITGUQSILSA-N 1 0 246.354 2.418 20 30 BEEDRO N#CCCOc1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169725648 969818126 /nfs/dbraw/zinc/81/81/26/969818126.db2.gz IPWJVIMKWCRRHN-UHFFFAOYSA-N 1 0 241.294 2.228 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254929374 969823654 /nfs/dbraw/zinc/82/36/54/969823654.db2.gz RJTURYQUCGBQML-GARJFASQSA-N 1 0 220.316 2.026 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254929377 969823929 /nfs/dbraw/zinc/82/39/29/969823929.db2.gz RJTURYQUCGBQML-GMTAPVOTSA-N 1 0 220.316 2.026 20 30 BEEDRO C#CCCCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254940668 969829355 /nfs/dbraw/zinc/82/93/55/969829355.db2.gz XGWFXYUYEZDEER-VXGBXAGGSA-N 1 0 219.328 2.137 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254940655 969830778 /nfs/dbraw/zinc/83/07/78/969830778.db2.gz XGWFXYUYEZDEER-ITGUQSILSA-N 1 0 219.328 2.137 20 30 BEEDRO N#Cc1cc2ccccc2nc1-n1ccc(C[NH3+])c1 ZINC001169717166 969831529 /nfs/dbraw/zinc/83/15/29/969831529.db2.gz VRJCTWNHEBLYEI-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2Cc3ccccc3C2)cn1 ZINC001255018575 969846315 /nfs/dbraw/zinc/84/63/15/969846315.db2.gz MESAOIAZWDPHOV-UHFFFAOYSA-N 1 0 249.317 2.210 20 30 BEEDRO CC(C)(S)C[NH2+]C1Cc2ccccc2C1 ZINC001255016232 969847030 /nfs/dbraw/zinc/84/70/30/969847030.db2.gz PHRARGVBLRFMDZ-UHFFFAOYSA-N 1 0 221.369 2.452 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255027578 969853536 /nfs/dbraw/zinc/85/35/36/969853536.db2.gz WVTOZSDSBRLBFG-GFCCVEGCSA-N 1 0 226.323 2.389 20 30 BEEDRO Cc1cc(C#N)ccc1Nc1[nH+]ccn1C ZINC001210371878 969880285 /nfs/dbraw/zinc/88/02/85/969880285.db2.gz YMLDUHRNMZUHQS-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO CC[C@H](CC#N)Nc1ccc(CC[NH3+])cc1 ZINC001255151425 969955747 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969993590 /nfs/dbraw/zinc/99/35/90/969993590.db2.gz HDYAHBQTCXPJLA-STQMWFEESA-N 1 0 223.364 2.093 20 30 BEEDRO CC[C@H](CC#N)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001255178596 969996057 /nfs/dbraw/zinc/99/60/57/969996057.db2.gz HUEJSNCAUAYBSY-CHWSQXEVSA-N 1 0 223.364 2.093 20 30 BEEDRO C#CC1([NH2+][C@H]2CCSC2)CCCCC1 ZINC001255278876 970030789 /nfs/dbraw/zinc/03/07/89/970030789.db2.gz JATWXOPUYNOYBZ-NSHDSACASA-N 1 0 209.358 2.418 20 30 BEEDRO C/C=C(\C)c1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001242755992 970051055 /nfs/dbraw/zinc/05/10/55/970051055.db2.gz MORDASOCOIDBIF-XCVCLJGOSA-N 1 0 227.311 2.412 20 30 BEEDRO CN(c1cccc2[nH]c(C#N)cc21)C(C)(C)C[NH3+] ZINC001170059092 970109046 /nfs/dbraw/zinc/10/90/46/970109046.db2.gz LPMYQUOJUOTKHV-UHFFFAOYSA-N 1 0 242.326 2.213 20 30 BEEDRO CN1CC[C@@H]([NH2+]Cc2ccc(Cl)c(C#N)c2)C1 ZINC001255426482 970150788 /nfs/dbraw/zinc/15/07/88/970150788.db2.gz NGBGMUYNLASFOD-GFCCVEGCSA-N 1 0 249.745 2.005 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NC2(C#N)CCCCCC2)C1 ZINC001255471366 970197257 /nfs/dbraw/zinc/19/72/57/970197257.db2.gz YDVLLPWCUVMGTR-CYBMUJFWSA-N 1 0 235.375 2.287 20 30 BEEDRO Cn1c[nH+]cc1Nc1c(F)ccc(F)c1C#N ZINC001211253543 970197322 /nfs/dbraw/zinc/19/73/22/970197322.db2.gz JQCNVINRNKZQIK-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO Cn1c[nH+]cc1Nc1c(F)cc(F)cc1C#N ZINC001211252671 970198688 /nfs/dbraw/zinc/19/86/88/970198688.db2.gz UDHZIFSRGSWMIY-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO N#CC1(c2cccc(-n3c[nH+]cc3N)c2)CC1 ZINC001213316412 970301106 /nfs/dbraw/zinc/30/11/06/970301106.db2.gz CHURPWAQGQBAHB-UHFFFAOYSA-N 1 0 224.267 2.010 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)nc2)CCO1 ZINC001255534419 970302095 /nfs/dbraw/zinc/30/20/95/970302095.db2.gz SFNSWPJQBCCHAD-GFCCVEGCSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001170105268 970307789 /nfs/dbraw/zinc/30/77/89/970307789.db2.gz QBHWUHJIYDAAMK-MFKMUULPSA-N 1 0 227.311 2.452 20 30 BEEDRO COc1cc[nH+]c(Nc2ccc(N)c(C#N)c2)c1 ZINC001213427282 970310372 /nfs/dbraw/zinc/31/03/72/970310372.db2.gz RNTVMHAMKUSYCP-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO N#Cc1ccc(-c2ccncc2)nc1C1=CC[NH2+]C1 ZINC001243108201 970337517 /nfs/dbraw/zinc/33/75/17/970337517.db2.gz ANUDNTMYMHZKCX-UHFFFAOYSA-N 1 0 248.289 2.002 20 30 BEEDRO N#Cc1ccc2nccc(C3=CC[NH2+]C3)c2c1 ZINC001243110290 970350110 /nfs/dbraw/zinc/35/01/10/970350110.db2.gz ZWQGIEPQNGPUIH-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]CCCS ZINC001255641976 970415467 /nfs/dbraw/zinc/41/54/67/970415467.db2.gz QXAMNBMSIWFVOL-LURJTMIESA-N 1 0 201.257 2.237 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001214147852 970442281 /nfs/dbraw/zinc/44/22/81/970442281.db2.gz BUZZAGOTBDONJN-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(C)C)C1 ZINC001214305680 970477031 /nfs/dbraw/zinc/47/70/31/970477031.db2.gz JCBCBKCCBFATJT-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C ZINC001214435959 970499870 /nfs/dbraw/zinc/49/98/70/970499870.db2.gz VPYJULIALJRGGM-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO CN(c1cc(N)cc[nH+]1)c1cc(C#N)ccc1F ZINC001214596128 970515659 /nfs/dbraw/zinc/51/56/59/970515659.db2.gz PIXKLYNMGMVXLJ-UHFFFAOYSA-N 1 0 242.257 2.442 20 30 BEEDRO C=CC(C)(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001214730004 970531056 /nfs/dbraw/zinc/53/10/56/970531056.db2.gz RUCDURVNZFWIMU-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC001170176275 970548227 /nfs/dbraw/zinc/54/82/27/970548227.db2.gz VAAPHKLTLQCOHC-FRRDWIJNSA-N 1 0 209.333 2.336 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NCC1(C#N)CCC1 ZINC001255940533 970568241 /nfs/dbraw/zinc/56/82/41/970568241.db2.gz CYQHSEDNFJXEMJ-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NC1(C#N)CCC1 ZINC001255941682 970568338 /nfs/dbraw/zinc/56/83/38/970568338.db2.gz WXQMOFZFNIHLPC-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CCO1 ZINC001170196640 970591386 /nfs/dbraw/zinc/59/13/86/970591386.db2.gz TYDRZNBSKWGQTK-GXTWGEPZSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC001170236238 970616404 /nfs/dbraw/zinc/61/64/04/970616404.db2.gz CYRLCUHNEXNSCX-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000400793217 970629372 /nfs/dbraw/zinc/62/93/72/970629372.db2.gz VPCBQPSSIPHSMO-GXFFZTMASA-N 1 0 245.326 2.260 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCO[C@H](CC)C2)C1 ZINC001170227385 970633670 /nfs/dbraw/zinc/63/36/70/970633670.db2.gz NVYCMSDMNIBLGT-HZSPNIEDSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@@H](CC)C2)C1 ZINC001170227386 970635077 /nfs/dbraw/zinc/63/50/77/970635077.db2.gz NVYCMSDMNIBLGT-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCN(C2CC2)CC1 ZINC001256068764 970635493 /nfs/dbraw/zinc/63/54/93/970635493.db2.gz JQAMZLXLUMCXSO-CQSZACIVSA-N 1 0 220.360 2.005 20 30 BEEDRO C=CCCCNc1cnc2c(c1)C[NH2+]CC2 ZINC001170299874 970679170 /nfs/dbraw/zinc/67/91/70/970679170.db2.gz SLGXDJLHFKOIAP-UHFFFAOYSA-N 1 0 217.316 2.105 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1cccc(OC)c1 ZINC001256169863 970683838 /nfs/dbraw/zinc/68/38/38/970683838.db2.gz OGMRUZCUTZKPNV-AWEZNQCLSA-N 1 0 241.334 2.195 20 30 BEEDRO C#CCOCCOCC[NH2+][C@@H](C)CCC(C)C ZINC001256358016 970758126 /nfs/dbraw/zinc/75/81/26/970758126.db2.gz PDJUOJGKDWYCBT-AWEZNQCLSA-N 1 0 241.375 2.067 20 30 BEEDRO C=CC[C@H](N[C@H]1CC[C@H]1C1CC1)C(=O)OCC ZINC001327385168 972567934 /nfs/dbraw/zinc/56/79/34/972567934.db2.gz SPDJZTCBUIIBIA-AVGNSLFASA-N 1 0 237.343 2.272 20 30 BEEDRO C=CCCC(=O)NCC1CC[NH+](C(C)C)CC1 ZINC001222578810 972579777 /nfs/dbraw/zinc/57/97/77/972579777.db2.gz GRJOOQYZNQAUHM-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H](CC)CC(F)F ZINC001327517084 972607895 /nfs/dbraw/zinc/60/78/95/972607895.db2.gz BWUVYMYDXKDNLG-NSHDSACASA-N 1 0 233.302 2.249 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001327605397 972663572 /nfs/dbraw/zinc/66/35/72/972663572.db2.gz FANSEVMGEVGXIM-MVCUBJFGSA-N 1 0 226.270 2.312 20 30 BEEDRO C#CCN(Cc1conc1CC)CC1CC1 ZINC001327864427 972762788 /nfs/dbraw/zinc/76/27/88/972762788.db2.gz LNUYPTBESFWUJU-UHFFFAOYSA-N 1 0 218.300 2.082 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)n1cnc(C[NH3+])c1 ZINC001171174987 972801772 /nfs/dbraw/zinc/80/17/72/972801772.db2.gz GYMYDVFUWAPYBO-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO CCOCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171174830 972802715 /nfs/dbraw/zinc/80/27/15/972802715.db2.gz DHSHNSQJPNYXBC-LBPRGKRZSA-N 1 0 232.327 2.115 20 30 BEEDRO COCCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171174707 972802970 /nfs/dbraw/zinc/80/29/70/972802970.db2.gz BOOBKUMTCFOOHZ-LBPRGKRZSA-N 1 0 232.327 2.115 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1CSC1 ZINC001171185907 972827245 /nfs/dbraw/zinc/82/72/45/972827245.db2.gz SRNIESSYGPMCRW-LLVKDONJSA-N 1 0 246.379 2.442 20 30 BEEDRO CC(C)([NH3+])CNc1ncc(C#N)c2ccccc21 ZINC001171188246 972834925 /nfs/dbraw/zinc/83/49/25/972834925.db2.gz BONPENQRVFWCFC-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO CC(C)([NH3+])CNc1ncc(C#N)c2ccsc21 ZINC001171190973 972839039 /nfs/dbraw/zinc/83/90/39/972839039.db2.gz GIAWABCRCSTIQF-UHFFFAOYSA-N 1 0 246.339 2.317 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(C#N)CC1 ZINC001171190596 972841223 /nfs/dbraw/zinc/84/12/23/972841223.db2.gz WJMOUEMKPQIWTG-GFCCVEGCSA-N 1 0 239.322 2.383 20 30 BEEDRO CC(C)([NH3+])CNc1ccccc1CS ZINC001171193621 972844134 /nfs/dbraw/zinc/84/41/34/972844134.db2.gz BZUHKZZOAVCCQP-UHFFFAOYSA-N 1 0 210.346 2.266 20 30 BEEDRO C/C(=N\O)c1ccc(NCC(C)(C)[NH3+])cc1 ZINC001171194440 972847218 /nfs/dbraw/zinc/84/72/18/972847218.db2.gz NNJBIHCZAITDHZ-OQLLNIDSSA-N 1 0 221.304 2.034 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001328090903 972868887 /nfs/dbraw/zinc/86/88/87/972868887.db2.gz KCSOWXDCMJCFMC-NWDGAFQWSA-N 1 0 233.311 2.170 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](OCC)C2)cc1 ZINC001144579069 972871663 /nfs/dbraw/zinc/87/16/63/972871663.db2.gz XEQDHNWSXANJSB-OAHLLOKOSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](C(C)=O)C2)cc1 ZINC001144576257 972878359 /nfs/dbraw/zinc/87/83/59/972878359.db2.gz HVVZGIBGOJUQIC-INIZCTEOSA-N 1 0 241.334 2.469 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CC2=CCCC2)C1 ZINC001328175758 972893066 /nfs/dbraw/zinc/89/30/66/972893066.db2.gz ZBQTZDJLPNJFPW-ZDUSSCGKSA-N 1 0 207.317 2.374 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001246584641 972966925 /nfs/dbraw/zinc/96/69/25/972966925.db2.gz XWIWJDYDCJAWKK-CHWSQXEVSA-N 1 0 241.354 2.222 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001328702402 973278640 /nfs/dbraw/zinc/27/86/40/973278640.db2.gz GWERCBUNMCBSIX-ZDUSSCGKSA-N 1 0 230.311 2.459 20 30 BEEDRO N#CC1(C[NH+]2CCC3(CCCCO3)CC2)CC1 ZINC001330732699 1169959057 /nfs/dbraw/zinc/95/90/57/1169959057.db2.gz NKBZTVJNXRFECH-UHFFFAOYSA-N 1 0 234.343 2.325 20 30 BEEDRO C=CCC1([NH2+]Cc2nnc[nH]2)CCCCC1 ZINC001328891588 973383661 /nfs/dbraw/zinc/38/36/61/973383661.db2.gz GLKVWDGUMNUKED-UHFFFAOYSA-N 1 0 220.320 2.173 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CCC1 ZINC001328967471 973407377 /nfs/dbraw/zinc/40/73/77/973407377.db2.gz DQYZDQHWGIMAOS-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CCCCC1 ZINC001328978440 973412420 /nfs/dbraw/zinc/41/24/20/973412420.db2.gz QAHKODUWYZNLJZ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=C)C ZINC001328994109 973415485 /nfs/dbraw/zinc/41/54/85/973415485.db2.gz BRURQZQRERCEJN-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[N@H+]1CCC2(CN(C(=O)CCC(=C)C)C2)C1 ZINC001147636437 973696384 /nfs/dbraw/zinc/69/63/84/973696384.db2.gz IKCOSXWWYJFQBK-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)CC(C)C ZINC001329374880 973716280 /nfs/dbraw/zinc/71/62/80/973716280.db2.gz IASFPAYXLKTACT-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CC ZINC001329500906 973803825 /nfs/dbraw/zinc/80/38/25/973803825.db2.gz NFYGSWDNQXVQBK-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@@H](OC[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001224707757 973879721 /nfs/dbraw/zinc/87/97/21/973879721.db2.gz SPLOZBVPGWAIQN-CHWSQXEVSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[NH2+]C(C)(C)C ZINC001329856321 973976265 /nfs/dbraw/zinc/97/62/65/973976265.db2.gz VXKWDXJBCMDSST-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)[C@@H](C)CC)CC1 ZINC001277006688 974073838 /nfs/dbraw/zinc/07/38/38/974073838.db2.gz KQGZVKNLHWLYAW-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(NCC1(c2ccccc2)CC1)=[NH+]COC ZINC001171462292 974076369 /nfs/dbraw/zinc/07/63/69/974076369.db2.gz XQCSAEOEIVZYRY-UHFFFAOYSA-N 1 0 244.338 2.496 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505322 974090755 /nfs/dbraw/zinc/09/07/55/974090755.db2.gz DDTIRMAEBUHYTH-VIFPVBQESA-N 1 0 239.240 2.184 20 30 BEEDRO N#C[C@H]1CCN([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171806932 974199920 /nfs/dbraw/zinc/19/99/20/974199920.db2.gz LQSRYGBZTLLNNY-PWSUYJOCSA-N 1 0 230.286 2.138 20 30 BEEDRO C#CC[N@@H+](CCC1(OC)CCC1)CC1CC1 ZINC001330333872 974234079 /nfs/dbraw/zinc/23/40/79/974234079.db2.gz JFVLCKJZQMRHDI-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206154436 974334876 /nfs/dbraw/zinc/33/48/76/974334876.db2.gz IZVZEBHUXMFVTL-STQMWFEESA-N 1 0 228.355 2.494 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC001330589340 974342442 /nfs/dbraw/zinc/34/24/42/974342442.db2.gz SJBBKSOWAMANBG-VXGBXAGGSA-N 1 0 248.301 2.354 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@@H]1C#N)C2 ZINC001172126474 974348737 /nfs/dbraw/zinc/34/87/37/974348737.db2.gz WGWYHFIEGOZOKU-BARDWOONSA-N 1 0 247.386 2.380 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172127435 974350932 /nfs/dbraw/zinc/35/09/32/974350932.db2.gz JLASQQQZRJNKKB-MUJYYYPQSA-N 1 0 246.398 2.347 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@@H](C#N)C1)C2 ZINC001172124636 974351293 /nfs/dbraw/zinc/35/12/93/974351293.db2.gz MGYKTOXLFRYXFY-XQLPTFJDSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC(=C)C)C1 ZINC001330604768 974353029 /nfs/dbraw/zinc/35/30/29/974353029.db2.gz KZHYDHVFEYJQPM-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO CC[C@@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104703 974364519 /nfs/dbraw/zinc/36/45/19/974364519.db2.gz CKLLSMIYDRCWTN-FQUUOJAGSA-N 1 0 235.375 2.284 20 30 BEEDRO COC1(C[NH2+]CC2CCC(C#N)CC2)CCC1 ZINC001330623205 974367994 /nfs/dbraw/zinc/36/79/94/974367994.db2.gz XSYCFTWPOCZDRI-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C/C=C/CC[N@H+]1CC[C@@H](OCC=C)C1 ZINC001330673135 974400557 /nfs/dbraw/zinc/40/05/57/974400557.db2.gz VDABUZXOWUPRID-URWSZGRFSA-N 1 0 207.317 2.396 20 30 BEEDRO C=C/C=C\CC[N@H+]1CC[C@H](OCC=C)C1 ZINC001330673134 974401869 /nfs/dbraw/zinc/40/18/69/974401869.db2.gz VDABUZXOWUPRID-SZZPACECSA-N 1 0 207.317 2.396 20 30 BEEDRO C=C/C=C/CC[N@H+]1CC[C@H](OCC=C)C1 ZINC001330673133 974402702 /nfs/dbraw/zinc/40/27/02/974402702.db2.gz VDABUZXOWUPRID-GFUIURDCSA-N 1 0 207.317 2.396 20 30 BEEDRO C#C[C@@H](C)Oc1ccc(C[NH+](C)C)cc1 ZINC001225330755 974404178 /nfs/dbraw/zinc/40/41/78/974404178.db2.gz PXAKWBHCTZADEP-LLVKDONJSA-N 1 0 203.285 2.149 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178871 974438018 /nfs/dbraw/zinc/43/80/18/974438018.db2.gz IKGZMDGVOYFSIH-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)s1 ZINC001172220530 974451459 /nfs/dbraw/zinc/45/14/59/974451459.db2.gz MOTWRNVYWXNPOC-FGWVZKOKSA-N 1 0 248.351 2.419 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C(C)=C/C)C2 ZINC001094890311 974463236 /nfs/dbraw/zinc/46/32/36/974463236.db2.gz DTSZIGVKQIEXGQ-BTCPNLIFSA-N 1 0 248.370 2.108 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172242566 974506375 /nfs/dbraw/zinc/50/63/75/974506375.db2.gz YEKUJBZUWGLTGL-RLAWYHOSSA-N 1 0 232.327 2.098 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300891 974512654 /nfs/dbraw/zinc/51/26/54/974512654.db2.gz IPKZTKOOFHLGFE-VXGBXAGGSA-N 1 0 212.296 2.101 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC1COC1 ZINC001172301324 974512806 /nfs/dbraw/zinc/51/28/06/974512806.db2.gz MNOJRFOXQHTNNL-GFCCVEGCSA-N 1 0 244.338 2.115 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300888 974512859 /nfs/dbraw/zinc/51/28/59/974512859.db2.gz IPKZTKOOFHLGFE-NEPJUHHUSA-N 1 0 212.296 2.101 20 30 BEEDRO COCC[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172307876 974516443 /nfs/dbraw/zinc/51/64/43/974516443.db2.gz HHOHAFVYCVWACI-GFCCVEGCSA-N 1 0 232.327 2.067 20 30 BEEDRO COC1(C)C[NH+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308814 974516857 /nfs/dbraw/zinc/51/68/57/974516857.db2.gz NPEQKIJPWCUWSG-GFCCVEGCSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC(=O)C1 ZINC001172302569 974517030 /nfs/dbraw/zinc/51/70/30/974517030.db2.gz MAIQWLCUFJKIPX-LLVKDONJSA-N 1 0 242.322 2.058 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCC#N ZINC001172301894 974518820 /nfs/dbraw/zinc/51/88/20/974518820.db2.gz YZYUKXLNXWMEHF-LBPRGKRZSA-N 1 0 227.311 2.383 20 30 BEEDRO CC[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172310079 974519982 /nfs/dbraw/zinc/51/99/82/974519982.db2.gz ZXACFXQOHUNRSF-LLVKDONJSA-N 1 0 202.301 2.441 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@H](C)C1 ZINC001172314896 974522767 /nfs/dbraw/zinc/52/27/67/974522767.db2.gz MHKMHJFBHHIAHS-CHWSQXEVSA-N 1 0 244.338 2.210 20 30 BEEDRO COC[C@H]1CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172317167 974524389 /nfs/dbraw/zinc/52/43/89/974524389.db2.gz PXXOVWBTGSFZAW-SWLSCSKDSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCOC1 ZINC001172317183 974524432 /nfs/dbraw/zinc/52/44/32/974524432.db2.gz CGCIMNALZYHZNH-IUODEOHRSA-N 1 0 244.338 2.210 20 30 BEEDRO CC[N@H+]([C@@H](C)Cc1ccc(C#N)cc1)C1COC1 ZINC001172318382 974527421 /nfs/dbraw/zinc/52/74/21/974527421.db2.gz FMDVXDLEBPMHDA-LBPRGKRZSA-N 1 0 244.338 2.210 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]CCCC#N ZINC001172325972 974535581 /nfs/dbraw/zinc/53/55/81/974535581.db2.gz ZVLBDIMJRBJGEE-VXGBXAGGSA-N 1 0 212.337 2.473 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2nc(C)c(C)cc2C#N)C1 ZINC001225529830 974542148 /nfs/dbraw/zinc/54/21/48/974542148.db2.gz XVOQCOOKJCZPFA-CYBMUJFWSA-N 1 0 245.326 2.043 20 30 BEEDRO C#CC[C@@H](CC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225547512 974547890 /nfs/dbraw/zinc/54/78/90/974547890.db2.gz YGYHXYTUVXDULC-GFCCVEGCSA-N 1 0 246.310 2.366 20 30 BEEDRO CC1(C)C[C@H]([N@@H+]2CCC[C@H](C#N)CC2)CO1 ZINC001172289475 974553524 /nfs/dbraw/zinc/55/35/24/974553524.db2.gz XHYMQQOUQFHPER-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(C)COC1 ZINC001172290324 974557352 /nfs/dbraw/zinc/55/73/52/974557352.db2.gz OMWDOQMZJFTWMJ-GFCCVEGCSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC1 ZINC001172291004 974557787 /nfs/dbraw/zinc/55/77/87/974557787.db2.gz HGESEHQNDOBRMB-JTQLQIEISA-N 1 0 200.285 2.241 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(C)COC1 ZINC001172290328 974557834 /nfs/dbraw/zinc/55/78/34/974557834.db2.gz OMWDOQMZJFTWMJ-LBPRGKRZSA-N 1 0 244.338 2.115 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172292402 974559310 /nfs/dbraw/zinc/55/93/10/974559310.db2.gz OWXPNBCTFGFDHN-SWLSCSKDSA-N 1 0 246.354 2.096 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+]1C=C(N)C=CC1 ZINC001172299808 974564337 /nfs/dbraw/zinc/56/43/37/974564337.db2.gz OFQUJCBIPLYWAP-GFCCVEGCSA-N 1 0 239.322 2.161 20 30 BEEDRO C#CC1([NH2+][C@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172298269 974565660 /nfs/dbraw/zinc/56/56/60/974565660.db2.gz VLFPNZNWIMAZEE-GFCCVEGCSA-N 1 0 224.307 2.245 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCS ZINC001172298252 974566487 /nfs/dbraw/zinc/56/64/87/974566487.db2.gz UWHGKSLZMLESER-NSHDSACASA-N 1 0 234.368 2.399 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]CC(=O)NC ZINC001172346850 974613679 /nfs/dbraw/zinc/61/36/79/974613679.db2.gz NHUCPSCQSYOIOL-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001172405640 974662193 /nfs/dbraw/zinc/66/21/93/974662193.db2.gz AOYBJJXSUKJXGM-GFCCVEGCSA-N 1 0 232.327 2.463 20 30 BEEDRO CCOCC[C@@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172409980 974670952 /nfs/dbraw/zinc/67/09/52/974670952.db2.gz CTFWXVCYZAAGOI-LLVKDONJSA-N 1 0 245.326 2.079 20 30 BEEDRO N#Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)ccc1F ZINC001225821380 974695882 /nfs/dbraw/zinc/69/58/82/974695882.db2.gz ZLBQMVYIXDOVNA-CQSZACIVSA-N 1 0 246.285 2.170 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172425993 974703876 /nfs/dbraw/zinc/70/38/76/974703876.db2.gz GDHYWNHYPHFSGE-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[NH+]1CCC(Oc2nc(C)ccc2C#N)CC1 ZINC001225861309 974705716 /nfs/dbraw/zinc/70/57/16/974705716.db2.gz XXOWFEOMEHHRLR-UHFFFAOYSA-N 1 0 245.326 2.125 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172429517 974710374 /nfs/dbraw/zinc/71/03/74/974710374.db2.gz ZXOIGFCZZFMZMP-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)COCC[C@H](C)[NH2+]C1CC(C#N)C1 ZINC001172473566 974768642 /nfs/dbraw/zinc/76/86/42/974768642.db2.gz VYUFVQDMCJHBFK-HIFPTAJRSA-N 1 0 224.348 2.329 20 30 BEEDRO Cc1ccc(C[NH3+])nc1N(C)[C@H](C)CCCC#N ZINC001172476438 974772022 /nfs/dbraw/zinc/77/20/22/974772022.db2.gz LJOKOXFAICTNNM-GFCCVEGCSA-N 1 0 246.358 2.367 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1CC(F)(F)C1 ZINC001172476105 974772065 /nfs/dbraw/zinc/77/20/65/974772065.db2.gz GZUQTYBKBISXJH-MRVPVSSYSA-N 1 0 202.248 2.456 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)CCCC#N ZINC001172475865 974772278 /nfs/dbraw/zinc/77/22/78/974772278.db2.gz DHSXAQDJOYIVAK-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccn1C ZINC001172476352 974773518 /nfs/dbraw/zinc/77/35/18/974773518.db2.gz KBCRSFPLNAPTJR-NSHDSACASA-N 1 0 205.305 2.197 20 30 BEEDRO COC(=O)CCCCC[NH2+][C@@H](C)CCCC#N ZINC001172478117 974776988 /nfs/dbraw/zinc/77/69/88/974776988.db2.gz BQUWPWVQGLBTIG-LBPRGKRZSA-N 1 0 240.347 2.392 20 30 BEEDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172480434 974778715 /nfs/dbraw/zinc/77/87/15/974778715.db2.gz UFHUURSUNZIOLR-QWHCGFSZSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(CO)c1 ZINC001172479839 974778768 /nfs/dbraw/zinc/77/87/68/974778768.db2.gz PWOXUUWGVUSLAO-GFCCVEGCSA-N 1 0 232.327 2.351 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ncccc1F ZINC001172480304 974779189 /nfs/dbraw/zinc/77/91/89/974779189.db2.gz OMXNWJZKNVGFFA-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCCCO1 ZINC001172479443 974779353 /nfs/dbraw/zinc/77/93/53/974779353.db2.gz LSWBQKWHTINAMJ-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CO)C(C)(C)C ZINC001172482139 974783128 /nfs/dbraw/zinc/78/31/28/974783128.db2.gz BWZFRCNDBZHEAT-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC001172482959 974783109 /nfs/dbraw/zinc/78/31/09/974783109.db2.gz LXVZAKRSKHZRJU-RISCZKNCSA-N 1 0 248.326 2.098 20 30 BEEDRO CCC1(C[NH2+][C@@H](C)CCCC#N)COC1 ZINC001172482617 974783784 /nfs/dbraw/zinc/78/37/84/974783784.db2.gz IFUJWGOMIQOQSA-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1(c2cccnn2)CC1 ZINC001172483039 974786291 /nfs/dbraw/zinc/78/62/91/974786291.db2.gz MJCHASGVYFAWQR-LLVKDONJSA-N 1 0 230.315 2.138 20 30 BEEDRO CC(C)OCCC[NH2+][C@H](C)CCCC#N ZINC001172483300 974786774 /nfs/dbraw/zinc/78/67/74/974786774.db2.gz OLAXMOAYBJYWSM-GFCCVEGCSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1nc(C2CC2)no1 ZINC001172483792 974787035 /nfs/dbraw/zinc/78/70/35/974787035.db2.gz UIMGROFAVWIOMS-SECBINFHSA-N 1 0 234.303 2.119 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCCC(C)(C)O ZINC001172485194 974788109 /nfs/dbraw/zinc/78/81/09/974788109.db2.gz NCNLSPMYNTYNFK-NSHDSACASA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCOC[C@H]1C ZINC001172484711 974788641 /nfs/dbraw/zinc/78/86/41/974788641.db2.gz HUQNOTJKMCBLSZ-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO COc1cccnc1C[NH2+][C@H](C)CCCC#N ZINC001172486368 974790946 /nfs/dbraw/zinc/79/09/46/974790946.db2.gz BEXIJWMLPKNUDN-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226114821 974795160 /nfs/dbraw/zinc/79/51/60/974795160.db2.gz REIMGINAAKVGLP-UWZYDCLUSA-N 1 0 248.326 2.356 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001331769976 974815718 /nfs/dbraw/zinc/81/57/18/974815718.db2.gz HLQFSNGQWPPTME-QWRGUYRKSA-N 1 0 230.315 2.345 20 30 BEEDRO CC(C)COCC[C@H](C)[NH2+][C@@H](C)CC#N ZINC001172463211 974828888 /nfs/dbraw/zinc/82/88/88/974828888.db2.gz LHIWLSDGIOFSHR-RYUDHWBXSA-N 1 0 212.337 2.329 20 30 BEEDRO COC[C@@H]([NH2+][C@@H](C)CCCC#N)C1CC1 ZINC001172487810 974832593 /nfs/dbraw/zinc/83/25/93/974832593.db2.gz NOAWESBDZFVGLU-CMPLNLGQSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCN1CCC[C@H](F)C1 ZINC001172488812 974833155 /nfs/dbraw/zinc/83/31/55/974833155.db2.gz OLLJTBMRQMOREL-OLZOCXBDSA-N 1 0 241.354 2.092 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001172491322 974836042 /nfs/dbraw/zinc/83/60/42/974836042.db2.gz MVLJCBZCIMHSQG-QJPTWQEYSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCOC(C)(C)C1 ZINC001172491210 974836437 /nfs/dbraw/zinc/83/64/37/974836437.db2.gz CQMAXKKCKMTRPC-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@]1(C)CCCOC1 ZINC001172490427 974836730 /nfs/dbraw/zinc/83/67/30/974836730.db2.gz GUTWTOKTJJDXIP-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cc(C#N)co1 ZINC001172490805 974837440 /nfs/dbraw/zinc/83/74/40/974837440.db2.gz LCVBHUQCSWKROU-JTQLQIEISA-N 1 0 217.272 2.323 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001172492387 974838611 /nfs/dbraw/zinc/83/86/11/974838611.db2.gz KVVXAOIMHFWJAR-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1COc2cnccc21 ZINC001172492819 974838781 /nfs/dbraw/zinc/83/87/81/974838781.db2.gz OSLXFJDHKXFMEF-VXGBXAGGSA-N 1 0 245.326 2.230 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@](O)(CF)C1 ZINC001172493507 974839739 /nfs/dbraw/zinc/83/97/39/974839739.db2.gz MNJDDRFMHUIOOA-QWHCGFSZSA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001172492165 974840499 /nfs/dbraw/zinc/84/04/99/974840499.db2.gz JDCSUDOGXSFBPQ-QWRGUYRKSA-N 1 0 208.305 2.122 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(C#N)nc1 ZINC001172493538 974842002 /nfs/dbraw/zinc/84/20/02/974842002.db2.gz UPFVMNKTMYQHQX-NSHDSACASA-N 1 0 228.299 2.125 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC001172493625 974842224 /nfs/dbraw/zinc/84/22/24/974842224.db2.gz NENVKJNQPMRRJN-CHWSQXEVSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cncn1CC1CC1 ZINC001172493420 974842871 /nfs/dbraw/zinc/84/28/71/974842871.db2.gz SSWUHWQSUGAUGE-LBPRGKRZSA-N 1 0 246.358 2.465 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)CC1CCOCC1 ZINC001172494616 974844329 /nfs/dbraw/zinc/84/43/29/974844329.db2.gz WITQEBLBQTWQAT-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO COC[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172494461 974844679 /nfs/dbraw/zinc/84/46/79/974844679.db2.gz UYQGPFUUJAVXNV-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001172494719 974846049 /nfs/dbraw/zinc/84/60/49/974846049.db2.gz XOHLGYUSVZNECM-YNEHKIRRSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC001172496727 974846913 /nfs/dbraw/zinc/84/69/13/974846913.db2.gz PLPCRESQGWBOIO-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001172497177 974847048 /nfs/dbraw/zinc/84/70/48/974847048.db2.gz ZINJAOPETVELAW-SDDRHHMPSA-N 1 0 220.316 2.265 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001172498587 974848182 /nfs/dbraw/zinc/84/81/82/974848182.db2.gz OTHSIUDOHNUYHA-AVGNSLFASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001172497357 974848961 /nfs/dbraw/zinc/84/89/61/974848961.db2.gz BBVCRBQEVBZZSJ-FDYHWXHSSA-N 1 0 222.332 2.035 20 30 BEEDRO CCC1(O)CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172499229 974850510 /nfs/dbraw/zinc/85/05/10/974850510.db2.gz CABFHOFYTGKMKP-GFCCVEGCSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001172499386 974851051 /nfs/dbraw/zinc/85/10/51/974851051.db2.gz WOPZIDVEJMARCD-NWDGAFQWSA-N 1 0 224.348 2.304 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1[C@H](C)CCCC#N ZINC001172499231 974851290 /nfs/dbraw/zinc/85/12/90/974851290.db2.gz CAICJSQTTBWAOA-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001172500205 974853715 /nfs/dbraw/zinc/85/37/15/974853715.db2.gz KMNRMNYEMSBWSV-OLZOCXBDSA-N 1 0 222.332 2.324 20 30 BEEDRO CCCN1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172501255 974854898 /nfs/dbraw/zinc/85/48/98/974854898.db2.gz PRNYWKPPMFJWJS-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001172500204 974855030 /nfs/dbraw/zinc/85/50/30/974855030.db2.gz KMNRMNYEMSBWSV-CHWSQXEVSA-N 1 0 222.332 2.324 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@@H](C)CCCC#N)n(C)n1 ZINC001172503619 974855986 /nfs/dbraw/zinc/85/59/86/974855986.db2.gz AZVRZNQMLDAQAY-LBPRGKRZSA-N 1 0 234.347 2.243 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)[C@H]1CCCOC1 ZINC001172506528 974859471 /nfs/dbraw/zinc/85/94/71/974859471.db2.gz VOPACHSFHFHNTD-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO CCN1CCC([N@H+](C)[C@H](C)CCCC#N)CC1 ZINC001172506796 974860239 /nfs/dbraw/zinc/86/02/39/974860239.db2.gz JNVFOAMKJRAHPH-CYBMUJFWSA-N 1 0 237.391 2.485 20 30 BEEDRO C[C@H](CCCC#N)N1Cc2ccncc2C1 ZINC001172507386 974861886 /nfs/dbraw/zinc/86/18/86/974861886.db2.gz SFKKZMQTOADMGC-LLVKDONJSA-N 1 0 215.300 2.480 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001172508963 974862037 /nfs/dbraw/zinc/86/20/37/974862037.db2.gz ICFZVWWMURMNLZ-RDBSUJKOSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172509008 974863203 /nfs/dbraw/zinc/86/32/03/974863203.db2.gz JBCBAPDCJDJMFZ-NEPJUHHUSA-N 1 0 205.305 2.304 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CC2(CSC2)C1 ZINC001172510327 974865500 /nfs/dbraw/zinc/86/55/00/974865500.db2.gz ZXCVYFQSGJFNPZ-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)S)C1 ZINC001172606115 974883972 /nfs/dbraw/zinc/88/39/72/974883972.db2.gz QDAATSFAIAHJEW-NXEZZACHSA-N 1 0 245.388 2.016 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC001331954890 974887389 /nfs/dbraw/zinc/88/73/89/974887389.db2.gz OYCUBZDMPIORCV-SNVBAGLBSA-N 1 0 242.269 2.310 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC=C)C1 ZINC001331956120 974888334 /nfs/dbraw/zinc/88/83/34/974888334.db2.gz ARSKHDAUJFVBQB-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](C(=O)OC)C2)C1 ZINC001172630496 974892684 /nfs/dbraw/zinc/89/26/84/974892684.db2.gz NUZBFEXSLLBTMV-MGPQQGTHSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172764203 974934474 /nfs/dbraw/zinc/93/44/74/974934474.db2.gz CZIAPSFUMCUPFB-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC#N)CC1 ZINC001172797164 974954228 /nfs/dbraw/zinc/95/42/28/974954228.db2.gz GYDUUULSPFDJFA-QJPTWQEYSA-N 1 0 238.331 2.000 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001332104684 974954430 /nfs/dbraw/zinc/95/44/30/974954430.db2.gz IMBMRNGRIAKIPA-UONOGXRCSA-N 1 0 239.359 2.080 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)S)C1 ZINC001172916359 974966304 /nfs/dbraw/zinc/96/63/04/974966304.db2.gz BIIJGZYLSXZPLF-ZJUUUORDSA-N 1 0 217.378 2.242 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC001172925697 974972158 /nfs/dbraw/zinc/97/21/58/974972158.db2.gz IKZIFVNMEORORD-UONOGXRCSA-N 1 0 245.326 2.000 20 30 BEEDRO C#C[C@@H](CCCC)Oc1cc[nH+]c(N)c1 ZINC001226653793 974996694 /nfs/dbraw/zinc/99/66/94/974996694.db2.gz POSOTOWXCLMCHL-JTQLQIEISA-N 1 0 204.273 2.235 20 30 BEEDRO N#C[C@H](Oc1cc[nH+]c(N)c1)c1ccccc1F ZINC001226653600 974999062 /nfs/dbraw/zinc/99/90/62/974999062.db2.gz MQFLVRJAALZCFK-LBPRGKRZSA-N 1 0 243.241 2.447 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1cncc(C#N)c1 ZINC001226685084 975023342 /nfs/dbraw/zinc/02/33/42/975023342.db2.gz SKBONEIRCSWJHB-LLVKDONJSA-N 1 0 233.315 2.062 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCc3ncsc3C2)CC1 ZINC001173142238 975045223 /nfs/dbraw/zinc/04/52/23/975045223.db2.gz UASJDFXABWZNJH-GFCCVEGCSA-N 1 0 246.379 2.346 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1COc2cccc(OC)c2C1 ZINC001173160133 975048816 /nfs/dbraw/zinc/04/88/16/975048816.db2.gz HUIWOKKNJKOGHI-NSHDSACASA-N 1 0 233.311 2.117 20 30 BEEDRO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)CCO1 ZINC001173173694 975054126 /nfs/dbraw/zinc/05/41/26/975054126.db2.gz QDRQDEKLLKFFBT-AVGNSLFASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)ccc2C#N)C1 ZINC001226754588 975059165 /nfs/dbraw/zinc/05/91/65/975059165.db2.gz SBGITOHOLKYJRF-CYBMUJFWSA-N 1 0 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C=CCOC1CCC([N@H+]2CC[C@H]2COC)CC1 ZINC001173325275 975273021 /nfs/dbraw/zinc/27/30/21/975273021.db2.gz ISCLHKYBMXGFOW-MOKVOYLWSA-N 1 0 239.359 2.221 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CN3CCC2CC3)CC1 ZINC001173325191 975273803 /nfs/dbraw/zinc/27/38/03/975273803.db2.gz DAPHMYIQUQXDRL-ZALBZXLWSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC001173324950 975274062 /nfs/dbraw/zinc/27/40/62/975274062.db2.gz BCDHMZGUGKOYQE-BPCQOVAHSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H](C)[C@@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173325754 975275072 /nfs/dbraw/zinc/27/50/72/975275072.db2.gz MDYOGTIVSOMODE-GFJIZPEISA-N 1 0 238.375 2.455 20 30 BEEDRO Cn1cc(CC[NH2+]C2CCC(CC#N)CC2)cn1 ZINC001173329756 975277753 /nfs/dbraw/zinc/27/77/53/975277753.db2.gz MKGBBSHPZANPBY-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO N#CCC1CCC([NH2+]CCc2cnccn2)CC1 ZINC001173329751 975278416 /nfs/dbraw/zinc/27/84/16/975278416.db2.gz MKARYJPWFRVHNJ-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO N#CCC1CCC(N2C[C@@H](F)[C@@H](F)C2)CC1 ZINC001173330544 975278924 /nfs/dbraw/zinc/27/89/24/975278924.db2.gz CCIJOLGRNKECHE-CAODYFQJSA-N 1 0 228.286 2.451 20 30 BEEDRO C[C@H]1CN(C)CC[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173332710 975281778 /nfs/dbraw/zinc/28/17/78/975281778.db2.gz SCYVARUSDCUVQI-PPWQZUPISA-N 1 0 249.402 2.389 20 30 BEEDRO Cn1cc(C[N@H+](C)C2CCC(CC#N)CC2)cn1 ZINC001173332714 975281886 /nfs/dbraw/zinc/28/18/86/975281886.db2.gz SEHALTILBNSXRK-UHFFFAOYSA-N 1 0 246.358 2.324 20 30 BEEDRO CC[N@H+](CCOC)C1CCC(CC#N)CC1 ZINC001173333076 975281965 /nfs/dbraw/zinc/28/19/65/975281965.db2.gz XHCOHSULBAIOAL-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC001173350323 975297823 /nfs/dbraw/zinc/29/78/23/975297823.db2.gz LCNUKJUZERYDHN-KGLIPLIRSA-N 1 0 247.317 2.074 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2CC)C1 ZINC001332868033 975301272 /nfs/dbraw/zinc/30/12/72/975301272.db2.gz KHZPCHIBBQQASC-AGIUHOORSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCOC1CCC([NH+]2CC(C)(OC)C2)CC1 ZINC001173320212 975307395 /nfs/dbraw/zinc/30/73/95/975307395.db2.gz DPWAFUJOVYNXLQ-UHFFFAOYSA-N 1 0 239.359 2.221 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CC[N@@H+](CC)C1 ZINC001173354045 975308497 /nfs/dbraw/zinc/30/84/97/975308497.db2.gz VTXIFFNPOIXJQC-LBPRGKRZSA-N 1 0 222.307 2.367 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001332957603 975339214 /nfs/dbraw/zinc/33/92/14/975339214.db2.gz CMNRKXCYZKCCKP-RYUDHWBXSA-N 1 0 248.326 2.102 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001332957605 975340732 /nfs/dbraw/zinc/34/07/32/975340732.db2.gz CMNRKXCYZKCCKP-VXGBXAGGSA-N 1 0 248.326 2.102 20 30 BEEDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)cnc1C#N ZINC001227345793 975367317 /nfs/dbraw/zinc/36/73/17/975367317.db2.gz DSFBJZBWJKRJEC-LBPRGKRZSA-N 1 0 245.326 2.125 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)c1cc2ccccc2o1 ZINC001333008937 975368518 /nfs/dbraw/zinc/36/85/18/975368518.db2.gz IUIBDKCUGSWCTG-CMPLNLGQSA-N 1 0 244.294 2.358 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001173439792 975377164 /nfs/dbraw/zinc/37/71/64/975377164.db2.gz FEDUPXOBDJYZPS-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173438559 975377191 /nfs/dbraw/zinc/37/71/91/975377191.db2.gz QLIQUDDDIRIHMT-LLVKDONJSA-N 1 0 225.332 2.110 20 30 BEEDRO C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001333037721 975377972 /nfs/dbraw/zinc/37/79/72/975377972.db2.gz XEDJFHXGLIGXSC-HIFPTAJRSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588650 975429251 /nfs/dbraw/zinc/42/92/51/975429251.db2.gz MPBYRTPJEYYHLA-ZIHBUVQPSA-N 1 0 236.359 2.473 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cnoc2)CC1 ZINC001173586206 975432186 /nfs/dbraw/zinc/43/21/86/975432186.db2.gz LIPJIUHTVIEUER-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO CC1(C#N)CCC(n2cncc2CC[NH3+])CC1 ZINC001173587180 975434170 /nfs/dbraw/zinc/43/41/70/975434170.db2.gz QQWRLVVHFVYUAD-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001173591991 975447596 /nfs/dbraw/zinc/44/75/96/975447596.db2.gz BHBDFEASLLCIHJ-ROKHWSDSSA-N 1 0 236.359 2.306 20 30 BEEDRO CC1(C#N)CCC(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001173595902 975450161 /nfs/dbraw/zinc/45/01/61/975450161.db2.gz BFLQQGMYMUFIOO-SHARSMKWSA-N 1 0 247.386 2.239 20 30 BEEDRO CC1(C#N)CCC([N@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001173596696 975459116 /nfs/dbraw/zinc/45/91/16/975459116.db2.gz BDFCJFJDZBGDME-DOOHLRMFSA-N 1 0 246.354 2.370 20 30 BEEDRO COC(C[N@H+](C)C1CCC(C)(C#N)CC1)OC ZINC001173600315 975464029 /nfs/dbraw/zinc/46/40/29/975464029.db2.gz ZITOTCOXIBENBN-UHFFFAOYSA-N 1 0 240.347 2.010 20 30 BEEDRO C[C@@H]1C[C@H](O)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600249 975466075 /nfs/dbraw/zinc/46/60/75/975466075.db2.gz XJKJUYFOWATVPT-NELGMTEASA-N 1 0 236.359 2.304 20 30 BEEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600245 975470599 /nfs/dbraw/zinc/47/05/99/975470599.db2.gz XJKJUYFOWATVPT-AHPWVWPOSA-N 1 0 236.359 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Cc1cc(O[C@H](C)C[N+](C)(C)C)ccc1C#N ZINC001229213136 976796478 /nfs/dbraw/zinc/79/64/78/976796478.db2.gz LSOAOECZYJWVPE-GFCCVEGCSA-N 1 0 233.335 2.340 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)c(C)c2)C1 ZINC001229213205 976796529 /nfs/dbraw/zinc/79/65/29/976796529.db2.gz NMHBANKRIUHPRL-CQSZACIVSA-N 1 0 230.311 2.340 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229249447 976805251 /nfs/dbraw/zinc/80/52/51/976805251.db2.gz WZMXDWLCABRBHP-JTQLQIEISA-N 1 0 236.702 2.295 20 30 BEEDRO Cc1ccnc(C#N)c1Nc1cc[nH+]cc1C ZINC001174537642 976823584 /nfs/dbraw/zinc/82/35/84/976823584.db2.gz NUPVQTUAHCLCFQ-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1c[nH+]ccc1Nc1cc(Cl)cnc1C#N ZINC001174537742 976823645 /nfs/dbraw/zinc/82/36/45/976823645.db2.gz QQLSYOUVOCUSLG-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO Cc1cc(Nc2cnc(C#N)c(C)c2)cc[nH+]1 ZINC001174653283 976938460 /nfs/dbraw/zinc/93/84/60/976938460.db2.gz OHRRAOXRTCTMOV-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)[C@]2(C)C=CCC2)C1 ZINC001100572836 1170010778 /nfs/dbraw/zinc/01/07/78/1170010778.db2.gz SSTZYIYOWKPVHI-SSDMNJCBSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1F ZINC001335383343 977019920 /nfs/dbraw/zinc/01/99/20/977019920.db2.gz VCFAMKBAIGPOJG-JTQLQIEISA-N 1 0 236.290 2.318 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCC(=O)Nc1ccccc1F ZINC001335383344 977019988 /nfs/dbraw/zinc/01/99/88/977019988.db2.gz VCFAMKBAIGPOJG-SNVBAGLBSA-N 1 0 236.290 2.318 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2ccc(C3(C#N)CC3)cc2)C1 ZINC001229939003 977034870 /nfs/dbraw/zinc/03/48/70/977034870.db2.gz SPJXSWOEZJKEAP-CQSZACIVSA-N 1 0 242.322 2.325 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH+]1CCCCC1 ZINC001335489548 977096828 /nfs/dbraw/zinc/09/68/28/977096828.db2.gz CQHWVNSRJRJSED-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C[C@@H](CC1CCC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC001335487179 977097099 /nfs/dbraw/zinc/09/70/99/977097099.db2.gz VIPMJBRCDCIXQX-AAEUAGOBSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1cccc(C#N)n1 ZINC001230038354 977099620 /nfs/dbraw/zinc/09/96/20/977099620.db2.gz BBTJBTVPWAGFJI-LLVKDONJSA-N 1 0 233.315 2.062 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)n1 ZINC001335561497 977146511 /nfs/dbraw/zinc/14/65/11/977146511.db2.gz TTYGUPMFBARMLB-HUBLWGQQSA-N 1 0 241.338 2.479 20 30 BEEDRO N#C[C@H]1CC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508093 977230090 /nfs/dbraw/zinc/23/00/90/977230090.db2.gz TVSDWCBQANSGNI-DTWKUNHWSA-N 1 0 242.282 2.216 20 30 BEEDRO C=C[C@H](CC)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230517453 977232484 /nfs/dbraw/zinc/23/24/84/977232484.db2.gz ZXXDWLNJMXIMOT-MRVPVSSYSA-N 1 0 217.272 2.489 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H](C)[NH2+]CCC ZINC001491556294 977256621 /nfs/dbraw/zinc/25/66/21/977256621.db2.gz DDMFMPBSVYJSAK-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C[NH+]1CCC(Oc2cc(F)ccc2C#N)CC1 ZINC001230637566 977286106 /nfs/dbraw/zinc/28/61/06/977286106.db2.gz YSDUWWJWJDGLIK-UHFFFAOYSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001230651289 977288184 /nfs/dbraw/zinc/28/81/84/977288184.db2.gz MASXGPPPIFJYGT-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CCc1ccc(O[C@H](CC#N)C[N+](C)(C)C)nc1 ZINC001230846120 977350358 /nfs/dbraw/zinc/35/03/58/977350358.db2.gz XMDOCGHALHCEJO-CYBMUJFWSA-N 1 0 248.350 2.011 20 30 BEEDRO C=CC[C@H](Oc1n[nH]cc2nncc1-2)C(C)C ZINC001230899816 977369870 /nfs/dbraw/zinc/36/98/70/977369870.db2.gz AMYIQYYWVZKYAS-NSHDSACASA-N 1 0 232.287 2.332 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC001335966701 977390002 /nfs/dbraw/zinc/39/00/02/977390002.db2.gz JYNDKOGHGPCNQY-BETUJISGSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)CC ZINC001230970022 977411495 /nfs/dbraw/zinc/41/14/95/977411495.db2.gz WWRLEXWAALUKNF-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230988297 977421727 /nfs/dbraw/zinc/42/17/27/977421727.db2.gz GCJVFSKACSZDBN-FFXRNRBCSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCc1cccc(O[C@H]2CC[N@@H+](C)C2)c1 ZINC001231015906 977427070 /nfs/dbraw/zinc/42/70/70/977427070.db2.gz UCQMSEYNZWFFLL-AWEZNQCLSA-N 1 0 217.312 2.498 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC001336016825 977431601 /nfs/dbraw/zinc/43/16/01/977431601.db2.gz HRCSVWBVKIMXMK-KGLIPLIRSA-N 1 0 217.312 2.030 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001336020931 977432497 /nfs/dbraw/zinc/43/24/97/977432497.db2.gz OZYSQZPLFYDFER-JKSUJKDBSA-N 1 0 245.366 2.372 20 30 BEEDRO C=C(C)CCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC001336029842 977439356 /nfs/dbraw/zinc/43/93/56/977439356.db2.gz VYUAZFIIUPNZAQ-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC001336117968 977518862 /nfs/dbraw/zinc/51/88/62/977518862.db2.gz SHAKLACFNCUYSR-WCQYABFASA-N 1 0 215.300 2.051 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccc(C#N)s2)C1 ZINC001175576534 977582624 /nfs/dbraw/zinc/58/26/24/977582624.db2.gz JUQBKVSMNOBRSI-UHFFFAOYSA-N 1 0 219.313 2.251 20 30 BEEDRO Cc1ccc(C#N)c(NC2=CCC[N@@H+](C)C2)c1 ZINC001175577096 977588586 /nfs/dbraw/zinc/58/85/86/977588586.db2.gz VTHUNEOXIWLXOT-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO N#Cc1cncc(C[N@H+](CC2CC2)C2CC2)c1 ZINC000721623079 977592367 /nfs/dbraw/zinc/59/23/67/977592367.db2.gz MGHXONSXQLXJIA-UHFFFAOYSA-N 1 0 227.311 2.328 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2cc(F)c(F)c(C#N)c2)C1 ZINC001175578330 977592660 /nfs/dbraw/zinc/59/26/60/977592660.db2.gz KGODSKCFOPINDA-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccccc2CC#N)C1 ZINC001175580997 977602440 /nfs/dbraw/zinc/60/24/40/977602440.db2.gz WGSZIIYLYNXDCJ-UHFFFAOYSA-N 1 0 227.311 2.384 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(O)c(C(F)(F)F)c1 ZINC001231523490 977627353 /nfs/dbraw/zinc/62/73/53/977627353.db2.gz YKJOVTCTPSUEIH-UHFFFAOYSA-N 1 0 243.228 2.476 20 30 BEEDRO Cc1cccc(C[N@@H+]2CC[C@@H](C#N)C2)c1O ZINC001231592319 977643285 /nfs/dbraw/zinc/64/32/85/977643285.db2.gz GXWPQAVUQWETOI-NSHDSACASA-N 1 0 216.284 2.046 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@H](CO)CC2)c1 ZINC001231656000 977664588 /nfs/dbraw/zinc/66/45/88/977664588.db2.gz DGVDAGJGBOHTIN-HNNXBMFYSA-N 1 0 243.350 2.262 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c1 ZINC001231656055 977669559 /nfs/dbraw/zinc/66/95/59/977669559.db2.gz DVQVSNUVTTURDT-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC001231658450 977671228 /nfs/dbraw/zinc/67/12/28/977671228.db2.gz XAQKJTPPFWQROW-ZDUSSCGKSA-N 1 0 229.323 2.279 20 30 BEEDRO SC1CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231668592 977677908 /nfs/dbraw/zinc/67/79/08/977677908.db2.gz ASRNSRCXOYJHLX-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C#Cc1cccnc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC001336477535 977711567 /nfs/dbraw/zinc/71/15/67/977711567.db2.gz ASUCZYKCVAGANB-ZIAGYGMSSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)nc1 ZINC001336517108 977740444 /nfs/dbraw/zinc/74/04/44/977740444.db2.gz QOXHDRMWOUQEQO-ZIAGYGMSSA-N 1 0 243.354 2.348 20 30 BEEDRO C=CCCC(=O)N(C)C1C[NH+](CCC(C)C)C1 ZINC001277571559 977758432 /nfs/dbraw/zinc/75/84/32/977758432.db2.gz YYEMZQRTYMLMFQ-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC001336549662 977768100 /nfs/dbraw/zinc/76/81/00/977768100.db2.gz DUTNAGXAZFUYJM-BETUJISGSA-N 1 0 238.375 2.284 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC001231975050 977819509 /nfs/dbraw/zinc/81/95/09/977819509.db2.gz BLOYHBIKPJOPJY-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO Cc1ncc(C#N)cc1Nc1ccc(C[NH3+])cc1 ZINC001175965857 977836631 /nfs/dbraw/zinc/83/66/31/977836631.db2.gz JJQYFACCALDOAA-UHFFFAOYSA-N 1 0 238.294 2.464 20 30 BEEDRO N#Cc1cc(Nc2ccc(C[NH3+])cc2)ccc1O ZINC001175970827 977839103 /nfs/dbraw/zinc/83/91/03/977839103.db2.gz KMLBJZLVTYAWCN-UHFFFAOYSA-N 1 0 239.278 2.466 20 30 BEEDRO C[C@H](CCC#N)CN1CC[NH+](C(C)(C)C)CC1 ZINC001336723053 977882914 /nfs/dbraw/zinc/88/29/14/977882914.db2.gz XBIUBMFMZGECFF-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO N#Cc1ccc(Nc2[nH]cc[nH+]2)cc1F ZINC001176083982 977883726 /nfs/dbraw/zinc/88/37/26/977883726.db2.gz BIFXAAUNYHMXHY-UHFFFAOYSA-N 1 0 202.192 2.164 20 30 BEEDRO Cc1nc(C#N)c(Nc2cc(C)[nH+]c(C)c2)o1 ZINC001176053382 977899053 /nfs/dbraw/zinc/89/90/53/977899053.db2.gz AAWVVVLUMIHXDG-UHFFFAOYSA-N 1 0 228.255 2.032 20 30 BEEDRO C=CC[C@H](C)[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001336769800 977939651 /nfs/dbraw/zinc/93/96/51/977939651.db2.gz DLSUALPMEIKKGG-ACJTYDJDSA-N 1 0 209.333 2.044 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001336784467 977951215 /nfs/dbraw/zinc/95/12/15/977951215.db2.gz GUVUWXXTPZPZGC-RISCZKNCSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC001595103832 977952552 /nfs/dbraw/zinc/95/25/52/977952552.db2.gz MUCSAKYPWNNAEY-CYBMUJFWSA-N 1 0 246.354 2.290 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001336783101 977956041 /nfs/dbraw/zinc/95/60/41/977956041.db2.gz DOIAUETVTOOPJF-GXTWGEPZSA-N 1 0 219.328 2.144 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(F)cc1 ZINC001336784744 977957097 /nfs/dbraw/zinc/95/70/97/977957097.db2.gz STWXPNXNFINPSE-CYBMUJFWSA-N 1 0 233.286 2.005 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC001336785732 977961164 /nfs/dbraw/zinc/96/11/64/977961164.db2.gz SPTFLZVNZAOEGC-OCCSQVGLSA-N 1 0 219.328 2.144 20 30 BEEDRO N#Cc1ccnc(C[N@H+]2CCC[C@@H](F)CC2)c1 ZINC001232474736 978122232 /nfs/dbraw/zinc/12/22/32/978122232.db2.gz IPRVMFFQLBSYJO-GFCCVEGCSA-N 1 0 233.290 2.277 20 30 BEEDRO CC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001232474714 978123442 /nfs/dbraw/zinc/12/34/42/978123442.db2.gz IKFGLUSHOXGMCH-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C[N@@H+](Cc1cc(C#N)ccn1)C[C@H]1CC1(C)C ZINC001232478188 978126473 /nfs/dbraw/zinc/12/64/73/978126473.db2.gz HSNGVHFOAMAZLO-GFCCVEGCSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CCCCC(=O)N1CC[NH2+]CCC12CCC2 ZINC001337044851 978143471 /nfs/dbraw/zinc/14/34/71/978143471.db2.gz OYCNLHSLNAUUNZ-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=C[C@]1(C)CC[C@H](C(C)(C)OCC[NH+](C)C)O1 ZINC001206278527 978148086 /nfs/dbraw/zinc/14/80/86/978148086.db2.gz PLNQHVISISNKDP-TZMCWYRMSA-N 1 0 241.375 2.467 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176650138 978156199 /nfs/dbraw/zinc/15/61/99/978156199.db2.gz PLIRKRWOYUOSNL-UGFHNGPFSA-N 1 0 248.370 2.426 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C2(CC2)C1 ZINC001232926583 978340638 /nfs/dbraw/zinc/34/06/38/978340638.db2.gz UWIIIIZJKFZECC-NSHDSACASA-N 1 0 227.311 2.328 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C2(CC2)C1 ZINC001232926582 978343886 /nfs/dbraw/zinc/34/38/86/978343886.db2.gz UWIIIIZJKFZECC-LLVKDONJSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1cccc(C[N@H+](CC2CC2)C2CC2)n1 ZINC001232926540 978344624 /nfs/dbraw/zinc/34/46/24/978344624.db2.gz RYLHJIZOXZVWBL-UHFFFAOYSA-N 1 0 227.311 2.328 20 30 BEEDRO Cc1ccc(CN2CC[C@@H]2C)c(C#N)c1 ZINC001232963106 978361415 /nfs/dbraw/zinc/36/14/15/978361415.db2.gz XWUKKGURRZESBY-NSHDSACASA-N 1 0 200.285 2.461 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c(C#N)c1 ZINC001232967403 978367355 /nfs/dbraw/zinc/36/73/55/978367355.db2.gz LDQOWSYWPVWNKX-SWLSCSKDSA-N 1 0 244.338 2.212 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232968618 978368145 /nfs/dbraw/zinc/36/81/45/978368145.db2.gz KMYCKPHUDRPZJF-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CCC1(C(=O)NCCC[NH2+]CC)CCCC1 ZINC001177548335 978392917 /nfs/dbraw/zinc/39/29/17/978392917.db2.gz WBGWWJRYNNYSNV-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)C(C)(C)F ZINC001177742967 978425889 /nfs/dbraw/zinc/42/58/89/978425889.db2.gz ONCUPGKXCITWKA-UHFFFAOYSA-N 1 0 244.354 2.187 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233043452 978426492 /nfs/dbraw/zinc/42/64/92/978426492.db2.gz POXXIEWBDDTIAY-SNVBAGLBSA-N 1 0 203.289 2.118 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2[nH]ccc2C#N)C1 ZINC001233043451 978427269 /nfs/dbraw/zinc/42/72/69/978427269.db2.gz POXXIEWBDDTIAY-JTQLQIEISA-N 1 0 203.289 2.118 20 30 BEEDRO CC#CC[NH2+]CCCCCCNC(=O)CCC ZINC001177763369 978428678 /nfs/dbraw/zinc/42/86/78/978428678.db2.gz XXKLDRKPWIIKRU-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@@H]1C[C@H]1C ZINC001177819212 978432827 /nfs/dbraw/zinc/43/28/27/978432827.db2.gz OERKIOBLLXEAPR-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C[N@@H+](Cc1[nH]ccc1C#N)C[C@@H]1CC1(C)C ZINC001233048164 978436304 /nfs/dbraw/zinc/43/63/04/978436304.db2.gz XYJWRIRQUSMJGQ-NSHDSACASA-N 1 0 217.316 2.364 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+]([C@@H]2C=CCCC2)C1 ZINC001337648299 978442216 /nfs/dbraw/zinc/44/22/16/978442216.db2.gz DENRIAUANSXQEM-OLZOCXBDSA-N 1 0 207.317 2.372 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CCC ZINC001277770640 978475614 /nfs/dbraw/zinc/47/56/14/978475614.db2.gz GTYOCFLWGRXRLX-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc3c2CCO3)CC1 ZINC001233273420 978520538 /nfs/dbraw/zinc/52/05/38/978520538.db2.gz BRKKOVUNJMBNPM-UHFFFAOYSA-N 1 0 242.322 2.357 20 30 BEEDRO C#CC1CC[NH+](Cc2sncc2C)CC1 ZINC001233322125 978563881 /nfs/dbraw/zinc/56/38/81/978563881.db2.gz SVXMSSYLJNHCHW-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C=CCCOCC[NH2+]CC1(CC)CCOCC1 ZINC001178412635 978566500 /nfs/dbraw/zinc/56/65/00/978566500.db2.gz ZJCVSKJUOSTOJN-UHFFFAOYSA-N 1 0 241.375 2.376 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233499398 978615528 /nfs/dbraw/zinc/61/55/28/978615528.db2.gz FKYMEKLEZWBDLB-LMVHVUTASA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H]1C ZINC001233501085 978617748 /nfs/dbraw/zinc/61/77/48/978617748.db2.gz HPHDTZRNIZAJPT-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1ccc(NC[C@@H]2CCCC[N@H+]2C)c(C#N)n1 ZINC001338129646 978620332 /nfs/dbraw/zinc/62/03/32/978620332.db2.gz FVRYFQHKVURNAC-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccccc1C(=O)CC#N ZINC001233525799 978622516 /nfs/dbraw/zinc/62/25/16/978622516.db2.gz WZCJLRZKQNFXPK-LLVKDONJSA-N 1 0 246.310 2.112 20 30 BEEDRO C#CCCCCC(=O)N(C)[C@H](C)C[NH2+]CCC ZINC000722002363 978643093 /nfs/dbraw/zinc/64/30/93/978643093.db2.gz FHKBOQZLAACCCR-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233622760 978651601 /nfs/dbraw/zinc/65/16/01/978651601.db2.gz OKJVGFMDJUJWIX-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3[nH]cnc3c2)C1 ZINC001179002071 978658914 /nfs/dbraw/zinc/65/89/14/978658914.db2.gz JLCVWKKJLYPQDK-CMPLNLGQSA-N 1 0 240.310 2.345 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Cl)cc1 ZINC001338503929 978697577 /nfs/dbraw/zinc/69/75/77/978697577.db2.gz DLJQABHXOULHDC-KGLIPLIRSA-N 1 0 249.741 2.375 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CC=C)[C@@H]1C ZINC001179451682 978706951 /nfs/dbraw/zinc/70/69/51/978706951.db2.gz DJPXUOTXEQGWIO-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO N#C[C@H]1CCC[N@H+](Cc2ccoc2)CC1 ZINC001204245693 978709625 /nfs/dbraw/zinc/70/96/25/978709625.db2.gz TYMWCDOHZZGSAZ-NSHDSACASA-N 1 0 204.273 2.405 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H](CC=C)C2)C1 ZINC001179579241 978725846 /nfs/dbraw/zinc/72/58/46/978725846.db2.gz NQIYSSIQOYXQEE-XHSDSOJGSA-N 1 0 246.398 2.418 20 30 BEEDRO C#Cc1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC001233967912 978743384 /nfs/dbraw/zinc/74/33/84/978743384.db2.gz SEGHTRCPAXJSBY-WDNDVIMCSA-N 1 0 242.322 2.067 20 30 BEEDRO C#CCc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC001249948410 978754983 /nfs/dbraw/zinc/75/49/83/978754983.db2.gz XPDLLFVJAYGSAL-UHFFFAOYSA-N 1 0 228.339 2.004 20 30 BEEDRO CC(=NO)c1ccc(O[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001234083384 978769348 /nfs/dbraw/zinc/76/93/48/978769348.db2.gz KSLZCQQSYOEOOQ-CQSZACIVSA-N 1 0 248.326 2.358 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)CCC ZINC001277832283 978778739 /nfs/dbraw/zinc/77/87/39/978778739.db2.gz RPZZJLMPWZEXKP-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[NH+]1CCCCC1 ZINC001339060496 978782984 /nfs/dbraw/zinc/78/29/84/978782984.db2.gz NHIYXXFSBYMVEG-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2cc(O)cc(C#N)c2)CC1 ZINC001234139220 978783414 /nfs/dbraw/zinc/78/34/14/978783414.db2.gz GOXQYWUZOOZEGL-ZDUSSCGKSA-N 1 0 246.310 2.127 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144700 978784436 /nfs/dbraw/zinc/78/44/36/978784436.db2.gz SXOHQBFNBLILJC-ZDUSSCGKSA-N 1 0 246.310 2.125 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)n[nH]1 ZINC001339391912 978846873 /nfs/dbraw/zinc/84/68/73/978846873.db2.gz CZCSGNPUBXAVOM-LBPRGKRZSA-N 1 0 205.305 2.259 20 30 BEEDRO C#Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC001339537053 978865687 /nfs/dbraw/zinc/86/56/87/978865687.db2.gz WDGIXDNQIGKSJW-ZIAGYGMSSA-N 1 0 241.338 2.102 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1C(C)C ZINC001234624274 978876040 /nfs/dbraw/zinc/87/60/40/978876040.db2.gz AGYMLLXRWZPQTF-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc2nccnc2c1 ZINC001180468712 978891107 /nfs/dbraw/zinc/89/11/07/978891107.db2.gz GLVWHDVBZJYLCD-UHFFFAOYSA-N 1 0 225.295 2.133 20 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C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccccc1CC#N ZINC001235511479 979058745 /nfs/dbraw/zinc/05/87/45/979058745.db2.gz HQTHZQLGBWBDCM-WFASDCNBSA-N 1 0 244.338 2.098 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1CC#N ZINC001235512425 979059631 /nfs/dbraw/zinc/05/96/31/979059631.db2.gz QPMMKNLJHOMYJG-DOMZBBRYSA-N 1 0 244.338 2.098 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccccc1CC#N ZINC001235511855 979061861 /nfs/dbraw/zinc/06/18/61/979061861.db2.gz MOVDKYNDUPYFFN-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1ccccc1CC#N ZINC001235512922 979063214 /nfs/dbraw/zinc/06/32/14/979063214.db2.gz XRVMQWCOIWDKMW-UHFFFAOYSA-N 1 0 245.370 2.136 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001181386099 979071242 /nfs/dbraw/zinc/07/12/42/979071242.db2.gz FZFQPJAQCBPDQK-FFXRNRBCSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@@]1(C#N)CCN(Cc2ccccc2CC#N)C1 ZINC001235527771 979074401 /nfs/dbraw/zinc/07/44/01/979074401.db2.gz MBKDCOCKVFWVKS-HNNXBMFYSA-N 1 0 239.322 2.488 20 30 BEEDRO CCCCCCCC[N@H+](C)C[C@@H]1COCCN1 ZINC001235664333 979114265 /nfs/dbraw/zinc/11/42/65/979114265.db2.gz RBZDIAVOQZVKDI-CQSZACIVSA-N 1 0 242.407 2.267 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC001340929852 979164937 /nfs/dbraw/zinc/16/49/37/979164937.db2.gz LXQBRGZMOBBJJY-GFQSEFKGSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[NH2+]CCN(C)CCc1ccc(C)cc1 ZINC001235840295 979169591 /nfs/dbraw/zinc/16/95/91/979169591.db2.gz IKDGXUDELIBTGG-UHFFFAOYSA-N 1 0 232.371 2.245 20 30 BEEDRO C=CCCCCCCN1C[C@@H]([NH3+])[C@@H](F)C1 ZINC001235892778 979183951 /nfs/dbraw/zinc/18/39/51/979183951.db2.gz GJSALABHGZLSLU-NWDGAFQWSA-N 1 0 214.328 2.104 20 30 BEEDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(CCC#N)cc1 ZINC001341005316 979193228 /nfs/dbraw/zinc/19/32/28/979193228.db2.gz NTZDNOZYYNDJCG-ZDUSSCGKSA-N 1 0 245.326 2.065 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN(C)C2C[NH2+]C2)CC1 ZINC001235922057 979209354 /nfs/dbraw/zinc/20/93/54/979209354.db2.gz RZZMBSCDALZOIO-CYBMUJFWSA-N 1 0 220.360 2.193 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001181709781 979256087 /nfs/dbraw/zinc/25/60/87/979256087.db2.gz XBPDKSJMLNRPJG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001341250717 979297391 /nfs/dbraw/zinc/29/73/91/979297391.db2.gz OGEKUSNZKBFBSI-RYUDHWBXSA-N 1 0 238.375 2.032 20 30 BEEDRO C=C1CCN(C(=O)[C@]23CC[NH2+][C@H]2CCCC3)CC1 ZINC001341302416 979324031 /nfs/dbraw/zinc/32/40/31/979324031.db2.gz DAHLNBWLVZNXQG-DZGCQCFKSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@H](C)CC ZINC001341337520 979340231 /nfs/dbraw/zinc/34/02/31/979340231.db2.gz TUBZORYNOBDWKT-VXGBXAGGSA-N 1 0 226.364 2.317 20 30 BEEDRO C=CCCCCCN1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060423 979351784 /nfs/dbraw/zinc/35/17/84/979351784.db2.gz QESHZPMJUJKQFL-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCCN1CC[NH2+][C@H](CCCC)C1 ZINC001236134944 979403545 /nfs/dbraw/zinc/40/35/45/979403545.db2.gz KCIFPKLNOSKSJC-CYBMUJFWSA-N 1 0 210.365 2.417 20 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C#Cc1cccc(CN(C)[C@@]2(C)CCC[NH2+]C2)c1 ZINC001236207012 979450574 /nfs/dbraw/zinc/45/05/74/979450574.db2.gz MXYNZAFVOJQRCH-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)CCC ZINC001277980238 979454056 /nfs/dbraw/zinc/45/40/56/979454056.db2.gz TVGXFRCQSJTYGQ-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCCCCN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236279949 979481797 /nfs/dbraw/zinc/48/17/97/979481797.db2.gz ACHYFQOTCGWTID-OLZOCXBDSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[NH2+]CCN(C)CCc1ccccc1F ZINC001236267055 979482996 /nfs/dbraw/zinc/48/29/96/979482996.db2.gz WYLDQVHOCGENFE-UHFFFAOYSA-N 1 0 236.334 2.076 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236289458 979495156 /nfs/dbraw/zinc/49/51/56/979495156.db2.gz ZSIQNWMSNZACSD-OLZOCXBDSA-N 1 0 210.365 2.251 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001182351574 979502661 /nfs/dbraw/zinc/50/26/61/979502661.db2.gz LPWRTMYRHMXZLH-YQCJOKCJSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC001341690177 979528128 /nfs/dbraw/zinc/52/81/28/979528128.db2.gz UZZLZQMOVBIECN-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCCN(CCC)[C@@H]1CC[NH2+]C1 ZINC001236321579 979531022 /nfs/dbraw/zinc/53/10/22/979531022.db2.gz DOCIAVCDYPYSBN-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C#Cc1ccc(CN(CCC)[C@@H]2CC[NH2+]C2)cc1 ZINC001236323027 979535930 /nfs/dbraw/zinc/53/59/30/979535930.db2.gz BOJXFEWJVNILSQ-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001182497694 979543961 /nfs/dbraw/zinc/54/39/61/979543961.db2.gz AKNBZMAEYMRJMZ-LSDHHAIUSA-N 1 0 224.307 2.320 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cncc(C#N)n2)c1 ZINC001236414368 979586935 /nfs/dbraw/zinc/58/69/35/979586935.db2.gz NHJRIAVCIDJCLJ-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cc(C#N)cnn2)c1 ZINC001236420874 979589362 /nfs/dbraw/zinc/58/93/62/979589362.db2.gz VUDVFKWTJYKSQD-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cnc(C#N)nc2)c1 ZINC001236419731 979592658 /nfs/dbraw/zinc/59/26/58/979592658.db2.gz UGGSCCLLUBNJHP-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO CCCCCCCCCN1C[C@@H]([NH3+])C[C@@H]1CO ZINC001236424873 979596106 /nfs/dbraw/zinc/59/61/06/979596106.db2.gz YJIPURNBIKIFMP-UONOGXRCSA-N 1 0 242.407 2.131 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(CC=C)CC=C)C1 ZINC001182818757 979654391 /nfs/dbraw/zinc/65/43/91/979654391.db2.gz PHMWVDYPWRCTQH-CQSZACIVSA-N 1 0 248.370 2.131 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC001342257637 979732668 /nfs/dbraw/zinc/73/26/68/979732668.db2.gz BUXSMPFOOAKPJB-ZFWWWQNUSA-N 1 0 248.370 2.095 20 30 BEEDRO C=CCCCN(CC)C(=O)CC1CC[NH2+]CC1 ZINC001342256008 979737715 /nfs/dbraw/zinc/73/77/15/979737715.db2.gz LTVUXMSCVBSOLW-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@@H+](C)Cc1c(C)cc(OC)cc1O ZINC001236810195 979742511 /nfs/dbraw/zinc/74/25/11/979742511.db2.gz CXZQVMHRKMFBLU-UHFFFAOYSA-N 1 0 221.300 2.327 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1CC([NH2+]C)C1 ZINC001342339523 979778245 /nfs/dbraw/zinc/77/82/45/979778245.db2.gz PCUJUSLSQPVJBW-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1CCC ZINC001342379736 979788228 /nfs/dbraw/zinc/78/82/28/979788228.db2.gz KXMYHLJMBKMHKP-GHMZBOCLSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1CCC ZINC001342379738 979788549 /nfs/dbraw/zinc/78/85/49/979788549.db2.gz KXMYHLJMBKMHKP-QWRGUYRKSA-N 1 0 244.766 2.247 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCN(CC)C2)CC1 ZINC001183651924 979859914 /nfs/dbraw/zinc/85/99/14/979859914.db2.gz LDGPFEQMYVSHHD-KKUMJFAQSA-N 1 0 234.387 2.252 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCN(C(C)=O)C[C@H]1C ZINC001183650967 979861389 /nfs/dbraw/zinc/86/13/89/979861389.db2.gz VZPGLBBMWNADLG-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CCN(C(C)=O)C[C@@H]1C ZINC001183665113 979871483 /nfs/dbraw/zinc/87/14/83/979871483.db2.gz WWAKEJJBOGWDBR-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+]C/C=C\c1ccccc1OC ZINC001342725517 979879586 /nfs/dbraw/zinc/87/95/86/979879586.db2.gz AKTXANZVFLMKMB-IUCKJTJTSA-N 1 0 247.338 2.499 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC001342777826 979891130 /nfs/dbraw/zinc/89/11/30/979891130.db2.gz DZIIGLRBZQVXII-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC001342777827 979892113 /nfs/dbraw/zinc/89/21/13/979892113.db2.gz DZIIGLRBZQVXII-UPJWGTAASA-N 1 0 227.348 2.125 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC001184116437 979955316 /nfs/dbraw/zinc/95/53/16/979955316.db2.gz YOFUSVCXKPRVPT-AWEZNQCLSA-N 1 0 228.339 2.078 20 30 BEEDRO CC(C)C[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237602412 979960822 /nfs/dbraw/zinc/96/08/22/979960822.db2.gz AGHJUGNIGCJJFA-UHFFFAOYSA-N 1 0 242.326 2.294 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001343138262 980022266 /nfs/dbraw/zinc/02/22/66/980022266.db2.gz CUIWAEPVGXTFRJ-RYUDHWBXSA-N 1 0 243.322 2.128 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@H](C)[NH2+]C1CC1 ZINC001343233093 980043562 /nfs/dbraw/zinc/04/35/62/980043562.db2.gz LVIFYIGBWJBSOQ-AAEUAGOBSA-N 1 0 236.359 2.084 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(C)n2)C1 ZINC001237820647 980069673 /nfs/dbraw/zinc/06/96/73/980069673.db2.gz OTFFPXRZWPFZDU-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO CC[C@H]([NH2+]CCNc1ncccc1C#N)C1CC1 ZINC001184438834 980070942 /nfs/dbraw/zinc/07/09/42/980070942.db2.gz KHUBYUOEXYPVQZ-ZDUSSCGKSA-N 1 0 244.342 2.143 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@@H](C)[NH2+]CCC ZINC001343343602 980075149 /nfs/dbraw/zinc/07/51/49/980075149.db2.gz HIGSSARZZICQET-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@]2(CCN(CC=C)C2=O)C1 ZINC001273486285 980081451 /nfs/dbraw/zinc/08/14/51/980081451.db2.gz FURVGWKZDVEWIP-HNNXBMFYSA-N 1 0 248.370 2.063 20 30 BEEDRO N#CCCN(Cc1c[nH]ccc1=O)C1CCCC1 ZINC001237840886 980088466 /nfs/dbraw/zinc/08/84/66/980088466.db2.gz QWJKWOXOHWNUTP-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO C=CC[N@H+](Cc1c[nH]ccc1=O)C(C)(C)C ZINC001237844485 980093976 /nfs/dbraw/zinc/09/39/76/980093976.db2.gz YLSHPHHUXVWOSC-UHFFFAOYSA-N 1 0 220.316 2.161 20 30 BEEDRO COc1ccoc1C[NH+]1CCC(S)CC1 ZINC001237875468 980108823 /nfs/dbraw/zinc/10/88/23/980108823.db2.gz WCBKRPGJNRWHLY-UHFFFAOYSA-N 1 0 227.329 2.182 20 30 BEEDRO Cc1ccc(CCC[NH+](C)C)c(C#N)c1 ZINC001250164069 980119519 /nfs/dbraw/zinc/11/95/19/980119519.db2.gz DUDDBFUTFLNCRO-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO Cc1ccc(C#N)c(CCC[NH+](C)C)c1 ZINC001250164949 980124976 /nfs/dbraw/zinc/12/49/76/980124976.db2.gz WXBZQXLFWFPEKO-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO N#CCOc1ccc(CC[NH+]2CCCC2)cc1 ZINC001250166229 980125357 /nfs/dbraw/zinc/12/53/57/980125357.db2.gz JXAQDGCCIJWLHV-UHFFFAOYSA-N 1 0 230.311 2.227 20 30 BEEDRO C[C@H]1CC(=O)C=C(CC[NH+]2CCCC2)C1 ZINC001250166894 980128783 /nfs/dbraw/zinc/12/87/83/980128783.db2.gz VDNBZZQWQUSKMA-LLVKDONJSA-N 1 0 207.317 2.398 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(C)c(OCC)c1 ZINC001238069333 980137178 /nfs/dbraw/zinc/13/71/78/980137178.db2.gz CHRZQDIBPFACFL-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001184953475 980157056 /nfs/dbraw/zinc/15/70/56/980157056.db2.gz GALMCVGERRNQDD-HIFRSBDPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC001185064660 980164144 /nfs/dbraw/zinc/16/41/44/980164144.db2.gz UPNLFXPLYUCDIQ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC001185063631 980164723 /nfs/dbraw/zinc/16/47/23/980164723.db2.gz DIDFZJZTSMHQEC-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CCC)[C@@H]1C ZINC001278213682 980234073 /nfs/dbraw/zinc/23/40/73/980234073.db2.gz OZCPRFFVOLGJSF-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2(CC=C)CCC2)C1 ZINC001185463802 980234437 /nfs/dbraw/zinc/23/44/37/980234437.db2.gz ZBTJXPMDMNYJFT-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC001278220714 980243348 /nfs/dbraw/zinc/24/33/48/980243348.db2.gz IEHQVIDHJYNHBB-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO COc1cc(C[NH+]2CC3CC(C3)C2)ccc1C#N ZINC001238414943 980248245 /nfs/dbraw/zinc/24/82/45/980248245.db2.gz YTQCVADGKBECOE-UHFFFAOYSA-N 1 0 242.322 2.409 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]C(C)C)[C@@H]1C ZINC001278264102 980306428 /nfs/dbraw/zinc/30/64/28/980306428.db2.gz OWRYFYOTFCOHDT-QWHCGFSZSA-N 1 0 238.375 2.330 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC001344056799 980329596 /nfs/dbraw/zinc/32/95/96/980329596.db2.gz WCPXISWBBRRLNU-GFCCVEGCSA-N 1 0 230.311 2.459 20 30 BEEDRO Cc1ccnc(C2=CCC[NH2+]CC2)c1C#N ZINC001238936437 980373215 /nfs/dbraw/zinc/37/32/15/980373215.db2.gz PPYDKEMPGFNCRX-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@H]2CC[C@H](C)C2)CC1 ZINC001344372672 980378273 /nfs/dbraw/zinc/37/82/73/980378273.db2.gz BHGRXSCTCCTAHN-STQMWFEESA-N 1 0 249.354 2.063 20 30 BEEDRO N#Cc1nc2[nH]ccc2cc1C1=CCC[NH2+]CC1 ZINC001238944079 980380817 /nfs/dbraw/zinc/38/08/17/980380817.db2.gz DDLDCPLXKDZZIC-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO O/N=C/c1ccc(F)c(C2=CCC[NH2+]CC2)c1 ZINC001238945475 980383028 /nfs/dbraw/zinc/38/30/28/980383028.db2.gz BHNOWOJSMCMSRO-CXUHLZMHSA-N 1 0 234.274 2.401 20 30 BEEDRO COc1cccc(C2=CCC[NH2+]CC2)c1C#N ZINC001238945265 980384308 /nfs/dbraw/zinc/38/43/08/980384308.db2.gz QIFHGRSXSYKTKH-UHFFFAOYSA-N 1 0 228.295 2.334 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC001239222348 980499888 /nfs/dbraw/zinc/49/98/88/980499888.db2.gz FDWFWWNZWGCPCV-TXEJJXNPSA-N 1 0 241.379 2.136 20 30 BEEDRO C=CCCC(=O)O[C@H](C)CC[NH+]1CCCC1 ZINC001344923296 980500001 /nfs/dbraw/zinc/50/00/01/980500001.db2.gz HMNFVPAHDPJSHC-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C(=O)CC12CCC2 ZINC001345108183 980551240 /nfs/dbraw/zinc/55/12/40/980551240.db2.gz ILMVQSZNBIFMDI-UHFFFAOYSA-N 1 0 236.359 2.387 20 30 BEEDRO C=C(CC)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001345575727 980635446 /nfs/dbraw/zinc/63/54/46/980635446.db2.gz IRQBFUMDBYPPBU-UHFFFAOYSA-N 1 0 246.354 2.331 20 30 BEEDRO C=CCCCN(CC)C(=O)CC[C@H]1CC[NH2+]C1 ZINC001345603345 980643895 /nfs/dbraw/zinc/64/38/95/980643895.db2.gz PHZJQFOKYIYXDR-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)CCC)C1 ZINC001188633269 980684776 /nfs/dbraw/zinc/68/47/76/980684776.db2.gz FAUYCWAHVIPNMJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1nccn1CC(=O)[C@@H](C#N)c1ccccc1 ZINC001188995183 980729286 /nfs/dbraw/zinc/72/92/86/980729286.db2.gz BNSFAJZLEWTEMP-ZDUSSCGKSA-N 1 0 239.278 2.068 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001189168441 980758994 /nfs/dbraw/zinc/75/89/94/980758994.db2.gz BNWBMRARIIUJEF-BWODNOAJSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001189168444 980759571 /nfs/dbraw/zinc/75/95/71/980759571.db2.gz BNWBMRARIIUJEF-WHGQRRHOSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001189462451 980796019 /nfs/dbraw/zinc/79/60/19/980796019.db2.gz WBVMLLNWAFJPBD-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001189538687 980804956 /nfs/dbraw/zinc/80/49/56/980804956.db2.gz SDJWZDAEHGCGSV-DANTVBBOSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001189997009 980841412 /nfs/dbraw/zinc/84/14/12/980841412.db2.gz XNLREUHMSXYFGP-UKVQZPPCSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[C@@H](CO)CNC(=[NH2+])Nc1ccc(C)cc1 ZINC001346588556 980866052 /nfs/dbraw/zinc/86/60/52/980866052.db2.gz IDGJIKUOLGTOCH-GFCCVEGCSA-N 1 0 247.342 2.116 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC001346722714 980892995 /nfs/dbraw/zinc/89/29/95/980892995.db2.gz VYACQRRDXMKFEJ-STQMWFEESA-N 1 0 238.375 2.140 20 30 BEEDRO N#CCOc1ccccc1-c1cncc(C[NH3+])c1 ZINC001239797509 980935865 /nfs/dbraw/zinc/93/58/65/980935865.db2.gz BYHRRWCXPFVHPI-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO Cc1c(C(=O)OC(C)(C)C#N)ccc2c[nH+]cn21 ZINC001347155213 980994851 /nfs/dbraw/zinc/99/48/51/980994851.db2.gz ZMFAIXYPIJNNPC-UHFFFAOYSA-N 1 0 243.266 2.102 20 30 BEEDRO N#Cc1c(F)cc(-c2ccnc(C[NH3+])c2)cc1F ZINC001239927747 981034784 /nfs/dbraw/zinc/03/47/84/981034784.db2.gz RFRFJQYDPGAVJN-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001191891079 981096132 /nfs/dbraw/zinc/09/61/32/981096132.db2.gz WZIJQULBFMORAE-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](C[NH+](C)C)OCc1ccc(C#N)cc1 ZINC001205598634 981152379 /nfs/dbraw/zinc/15/23/79/981152379.db2.gz XUDVCLZJPIJCGM-LLVKDONJSA-N 1 0 218.300 2.025 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1C/N=C\c1cccc(O)c1O ZINC001347736605 981156855 /nfs/dbraw/zinc/15/68/55/981156855.db2.gz ZHRRKIVOULJQJT-CDCQXCROSA-N 1 0 248.326 2.001 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC001347835392 981188341 /nfs/dbraw/zinc/18/83/41/981188341.db2.gz SRYLVOWYBMMEHH-CYBMUJFWSA-N 1 0 238.375 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COc1c(C#N)c(F)ccc1C1=CC[NH2+]CC1 ZINC001240471206 981410073 /nfs/dbraw/zinc/41/00/73/981410073.db2.gz ZTVUZKXWGIVGTA-UHFFFAOYSA-N 1 0 232.258 2.083 20 30 BEEDRO N#Cc1ccc(-c2ccn3ccnc3c2)cn1 ZINC001240509063 981430545 /nfs/dbraw/zinc/43/05/45/981430545.db2.gz PTUJFMGPIPWJRJ-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cscn1 ZINC001193913038 981514344 /nfs/dbraw/zinc/51/43/44/981514344.db2.gz CGAMCPVIVMXMSH-UHFFFAOYSA-N 1 0 239.388 2.083 20 30 BEEDRO N#CCc1ccc(C2=CCC[NH2+]C2)cc1F ZINC001240658456 981567193 /nfs/dbraw/zinc/56/71/93/981567193.db2.gz CQHJOWCRDHKBRC-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO N#Cc1c[nH]c2ccc(C3=CCC[NH2+]C3)cc12 ZINC001240665199 981575911 /nfs/dbraw/zinc/57/59/11/981575911.db2.gz WHYHCIRRLXJGBI-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO COc1c(C#N)c(F)ccc1C1=CCC[NH2+]C1 ZINC001240670145 981580182 /nfs/dbraw/zinc/58/01/82/981580182.db2.gz GSZYRTSFXIFUEP-UHFFFAOYSA-N 1 0 232.258 2.083 20 30 BEEDRO SCc1cccc(C2=CCC[NH2+]C2)c1 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983797087 /nfs/dbraw/zinc/79/70/87/983797087.db2.gz GMSQCARWKOYHKP-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@H](C)c1ccccc1 ZINC001252538428 983804483 /nfs/dbraw/zinc/80/44/83/983804483.db2.gz GPPFEQHVGPECSU-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C[NH2+]Cc1cc(-c2cc(C)cc(C#N)c2)ncn1 ZINC001242476501 983805404 /nfs/dbraw/zinc/80/54/04/983805404.db2.gz FSFMRJZXYGUYQV-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(Cl)cc1 ZINC001252539676 983805320 /nfs/dbraw/zinc/80/53/20/983805320.db2.gz XDAMZGCQCSYYCC-LBPRGKRZSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC001252541500 983806785 /nfs/dbraw/zinc/80/67/85/983806785.db2.gz MPQKRIZLSRLYMJ-OAHLLOKOSA-N 1 0 231.339 2.290 20 30 BEEDRO Cc1cc(C#N)cc(-c2c[nH+]ccc2N)c1 ZINC001242479346 983808720 /nfs/dbraw/zinc/80/87/20/983808720.db2.gz ZAGHLVJKGQOISV-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001252547290 983811094 /nfs/dbraw/zinc/81/10/94/983811094.db2.gz HBOZNPHGLYNKRW-MNOVXSKESA-N 1 0 233.302 2.291 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001252547796 983812932 /nfs/dbraw/zinc/81/29/32/983812932.db2.gz LIVZHWUEMWIZMJ-AVGNSLFASA-N 1 0 211.349 2.291 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCCC2(CCC2)C1 ZINC001252555939 983816430 /nfs/dbraw/zinc/81/64/30/983816430.db2.gz CEHPENYPKPYIAN-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001358033873 983817821 /nfs/dbraw/zinc/81/78/21/983817821.db2.gz ZNJHMQQKTRIGFJ-RYUDHWBXSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001358033874 983818232 /nfs/dbraw/zinc/81/82/32/983818232.db2.gz ZNJHMQQKTRIGFJ-VXGBXAGGSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001252574663 983829328 /nfs/dbraw/zinc/82/93/28/983829328.db2.gz BPXJTRPTRNUWGV-SWLSCSKDSA-N 1 0 249.354 2.240 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001252576730 983831762 /nfs/dbraw/zinc/83/17/62/983831762.db2.gz NKAQDWTYKLYKPB-HUUCEWRRSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1ccccn1)C(C)C ZINC001252576460 983831863 /nfs/dbraw/zinc/83/18/63/983831863.db2.gz LEELLULCTZDCFY-KBPBESRZSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2cccc(F)c2)CC1 ZINC001252578969 983833234 /nfs/dbraw/zinc/83/32/34/983833234.db2.gz IOARSSHVCYXQLF-AWEZNQCLSA-N 1 0 249.329 2.427 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(Cl)nc1 ZINC001252586198 983836215 /nfs/dbraw/zinc/83/62/15/983836215.db2.gz DHUCYRMWFJAYHJ-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001252586548 983837791 /nfs/dbraw/zinc/83/77/91/983837791.db2.gz JQWOKRHQNHVEQG-CYBMUJFWSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@@H](O)CNc1[nH+]cc(C)cc1C ZINC001252590999 983841155 /nfs/dbraw/zinc/84/11/55/983841155.db2.gz HJQNOWHGRPCBLR-GFCCVEGCSA-N 1 0 220.316 2.437 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1Cc2ccc(OC)cc2C1 ZINC001252600047 983842393 /nfs/dbraw/zinc/84/23/93/983842393.db2.gz VGRSENFBUAVGBI-AWEZNQCLSA-N 1 0 247.338 2.338 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC001252616435 983851024 /nfs/dbraw/zinc/85/10/24/983851024.db2.gz OXFRJPXPBXTQDT-JKSUJKDBSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCc1cc(C)ccn1 ZINC001252617576 983852323 /nfs/dbraw/zinc/85/23/23/983852323.db2.gz GAZIXIPZTKLEDF-HNNXBMFYSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001252620884 983854961 /nfs/dbraw/zinc/85/49/61/983854961.db2.gz QUGQDPMDQZBJQC-ZDUSSCGKSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001252624268 983856297 /nfs/dbraw/zinc/85/62/97/983856297.db2.gz CAAXMCPDAGPEOA-LLVKDONJSA-N 1 0 236.340 2.036 20 30 BEEDRO N#Cc1cc(F)ccc1-c1c[nH+]ccc1N ZINC001242582033 983893326 /nfs/dbraw/zinc/89/33/26/983893326.db2.gz QBNBOBFGUOZLNP-UHFFFAOYSA-N 1 0 213.215 2.172 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000877608405 983955520 /nfs/dbraw/zinc/95/55/20/983955520.db2.gz USHZYSCHHDICGA-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000826100216 983969537 /nfs/dbraw/zinc/96/95/37/983969537.db2.gz NFMFPGVADJDZPM-HOTGVXAUSA-N 1 0 241.334 2.325 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CC ZINC001569105352 984019536 /nfs/dbraw/zinc/01/95/36/984019536.db2.gz ORFWGXCWTFMESO-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO N#Cc1ccnc(-c2ccc3c(c2)C[NH2+]C3)c1F ZINC001242673785 984043253 /nfs/dbraw/zinc/04/32/53/984043253.db2.gz LADBOCSYSSPPSC-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO N#Cc1ccccc1-c1cccc(C[NH3+])n1 ZINC001242713949 984064360 /nfs/dbraw/zinc/06/43/60/984064360.db2.gz TZEPGAWHTDCSDI-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO C[C@H]1CC(=O)C=C(c2[nH+]ccc3c2CCN3)C1 ZINC001242738163 984082411 /nfs/dbraw/zinc/08/24/11/984082411.db2.gz WBUYRBOLWYBDHO-SECBINFHSA-N 1 0 228.295 2.432 20 30 BEEDRO C[C@H]([NH3+])c1ccc(C2=CC(=O)C[C@H](C)C2)cn1 ZINC001242742608 984096272 /nfs/dbraw/zinc/09/62/72/984096272.db2.gz AQKZFUNPNBSGEQ-ZJUUUORDSA-N 1 0 230.311 2.484 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)c1ccsc1 ZINC001574901514 984122487 /nfs/dbraw/zinc/12/24/87/984122487.db2.gz KWANTCCPVIEPJP-LLVKDONJSA-N 1 0 238.356 2.395 20 30 BEEDRO C[NH2+]Cc1cc(-c2ccc(C#N)c(C)c2)ncn1 ZINC001242766472 984146192 /nfs/dbraw/zinc/14/61/92/984146192.db2.gz GJSIDROTLBNWLB-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)F ZINC001154105279 984173564 /nfs/dbraw/zinc/17/35/64/984173564.db2.gz VNNIOCGFQKJRKZ-LLVKDONJSA-N 1 0 244.354 2.185 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2c(C)onc2CC)C1 ZINC000886360453 984187184 /nfs/dbraw/zinc/18/71/84/984187184.db2.gz WMLCJCZULUAJDJ-GFCCVEGCSA-N 1 0 232.327 2.391 20 30 BEEDRO C=CCC1(O)CCN(c2cc[nH+]c(C)c2)CC1 ZINC000717446069 984197167 /nfs/dbraw/zinc/19/71/67/984197167.db2.gz BSMUKLWYKFPOMZ-UHFFFAOYSA-N 1 0 232.327 2.297 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001253565118 984222254 /nfs/dbraw/zinc/22/22/54/984222254.db2.gz LGYMHSJZZZTFIA-KGLIPLIRSA-N 1 0 217.312 2.274 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)CCc1ccccc1 ZINC001253565504 984224126 /nfs/dbraw/zinc/22/41/26/984224126.db2.gz OUSCGOBDNBDTLR-GXTWGEPZSA-N 1 0 219.328 2.144 20 30 BEEDRO C=CCN1CC[C@]2(CCC[N@@H+](C3CC3)CC2)C1=O ZINC001274008537 984227302 /nfs/dbraw/zinc/22/73/02/984227302.db2.gz DTCURYUVSWBPPH-OAHLLOKOSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)CCCC ZINC001319158441 984250366 /nfs/dbraw/zinc/25/03/66/984250366.db2.gz TYVTXMFXIXWTQS-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001490815557 984289251 /nfs/dbraw/zinc/28/92/51/984289251.db2.gz FZFQPJAQCBPDQK-WHGQRRHOSA-N 1 0 236.359 2.109 20 30 BEEDRO N#Cc1c(F)cc(C2=CC[NH2+]CC2)cc1F ZINC001240467222 984302688 /nfs/dbraw/zinc/30/26/88/984302688.db2.gz ABJZQAQOIRLJJE-UHFFFAOYSA-N 1 0 220.222 2.213 20 30 BEEDRO N#Cc1c(F)cccc1C1=CC[NH2+]CC1 ZINC001240467808 984304591 /nfs/dbraw/zinc/30/45/91/984304591.db2.gz UKNHPFKCCCQJRQ-UHFFFAOYSA-N 1 0 202.232 2.074 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691395652 984314460 /nfs/dbraw/zinc/31/44/60/984314460.db2.gz ORHDMQJNJSUURP-JKSUJKDBSA-N 1 0 241.334 2.195 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cccc(C#N)n2)cc1 ZINC001242989038 984353710 /nfs/dbraw/zinc/35/37/10/984353710.db2.gz RWELTLYCCXALOR-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ncc(F)cc2C#N)cc1 ZINC001242988765 984353827 /nfs/dbraw/zinc/35/38/27/984353827.db2.gz OBAWKMIHUJFEEN-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncc(C#N)cc2F)c1 ZINC001242994106 984360378 /nfs/dbraw/zinc/36/03/78/984360378.db2.gz AGTIKNMYIWQODI-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)C(F)F ZINC001274662231 984361779 /nfs/dbraw/zinc/36/17/79/984361779.db2.gz HDYGKSLGFLZVPB-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[C@H](C)[NH2+]CCC ZINC001274763044 984377999 /nfs/dbraw/zinc/37/79/99/984377999.db2.gz GWQRXTNBWDQPLH-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001274772464 984377878 /nfs/dbraw/zinc/37/78/78/984377878.db2.gz WSBBUDIBPTTWNV-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001274767396 984378914 /nfs/dbraw/zinc/37/89/14/984378914.db2.gz NENACPGDTVBDPC-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cscc1C ZINC001545920686 984384608 /nfs/dbraw/zinc/38/46/08/984384608.db2.gz UOXKAJPYRIPGTN-UHFFFAOYSA-N 1 0 224.329 2.113 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001274877498 984399182 /nfs/dbraw/zinc/39/91/82/984399182.db2.gz DIGUPVBLEPPWFL-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]CCC(=C)C ZINC001275092396 984485210 /nfs/dbraw/zinc/48/52/10/984485210.db2.gz NANLOKZEGYYMRW-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC ZINC001275168903 984511503 /nfs/dbraw/zinc/51/15/03/984511503.db2.gz WLBDIWAJDSBXIK-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H](C)C(C)C ZINC001275328350 984539619 /nfs/dbraw/zinc/53/96/19/984539619.db2.gz ONUSJTTUMUOIKH-WDEREUQCSA-N 1 0 246.782 2.125 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC=C ZINC001275365031 984545899 /nfs/dbraw/zinc/54/58/99/984545899.db2.gz HVXRUMAFDNRUNF-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001275415251 984554931 /nfs/dbraw/zinc/55/49/31/984554931.db2.gz OAUFBDTZHMIZDD-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1cc2ccccc2nc1C1=CC[NH2+]C1 ZINC001243108037 984556935 /nfs/dbraw/zinc/55/69/35/984556935.db2.gz NYYPXMOHTDJGOQ-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001275550504 984606799 /nfs/dbraw/zinc/60/67/99/984606799.db2.gz DLLXGRDMGGJAOD-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001275550628 984608138 /nfs/dbraw/zinc/60/81/38/984608138.db2.gz DTYKEHHQWDQSTH-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001275550505 984608546 /nfs/dbraw/zinc/60/85/46/984608546.db2.gz DLLXGRDMGGJAOD-QWRGUYRKSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001275550627 984608842 /nfs/dbraw/zinc/60/88/42/984608842.db2.gz DTYKEHHQWDQSTH-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO CCN(CCC#N)C[C@@H]([NH3+])CCC(C)(C)C ZINC001577711247 984649893 /nfs/dbraw/zinc/64/98/93/984649893.db2.gz ZESXVGOIHUCRRL-LBPRGKRZSA-N 1 0 225.380 2.376 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001275836414 984684863 /nfs/dbraw/zinc/68/48/63/984684863.db2.gz UCMLIYYIAIPEOI-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001275836416 984687472 /nfs/dbraw/zinc/68/74/72/984687472.db2.gz UCMLIYYIAIPEOI-LBPRGKRZSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](CC)[C@H]1C ZINC001448029756 984805306 /nfs/dbraw/zinc/80/53/06/984805306.db2.gz WWLRFUGDRYDBJY-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC(C)(C)C1 ZINC001448900213 984824532 /nfs/dbraw/zinc/82/45/32/984824532.db2.gz HOQBEMPQAOYEQT-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]1CCC[N@H+](C2CCC(C#N)CC2)[C@@H]1CO ZINC001256964737 984845647 /nfs/dbraw/zinc/84/56/47/984845647.db2.gz BWQQLQPBGHLNMF-GFJIZPEISA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CCC[N@H+](C2CCC(C#N)CC2)[C@H]1CO ZINC001256964734 984846179 /nfs/dbraw/zinc/84/61/79/984846179.db2.gz BWQQLQPBGHLNMF-ABXWRUBCSA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257029377 984847394 /nfs/dbraw/zinc/84/73/94/984847394.db2.gz GVXXUHALVLIVHZ-OUCADQQQSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257029378 984847740 /nfs/dbraw/zinc/84/77/40/984847740.db2.gz GVXXUHALVLIVHZ-SGMGOOAPSA-N 1 0 237.343 2.110 20 30 BEEDRO CCC[C@@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001257308040 984880849 /nfs/dbraw/zinc/88/08/49/984880849.db2.gz DNYNGPJXFXKQMW-MRVPVSSYSA-N 1 0 209.268 2.115 20 30 BEEDRO C#CC[N@@H+](CCCCC(=O)OCC)C(C)(C)C ZINC000932463645 985015033 /nfs/dbraw/zinc/01/50/33/985015033.db2.gz HYRCGRTULNJMCK-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000686014881 985044802 /nfs/dbraw/zinc/04/48/02/985044802.db2.gz PSVIWNRZJSYCBV-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000686680900 985197444 /nfs/dbraw/zinc/19/74/44/985197444.db2.gz GXGWGHDJYLZKTJ-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H](O)CC1 ZINC000686675185 985199302 /nfs/dbraw/zinc/19/93/02/985199302.db2.gz HVIUKHJVPSTXPS-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCCCC[NH2+][C@H]1CCOC[C@H]1C ZINC000686682022 985201235 /nfs/dbraw/zinc/20/12/35/985201235.db2.gz IFQGMNJXJJQBSX-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000686682024 985202308 /nfs/dbraw/zinc/20/23/08/985202308.db2.gz IFQGMNJXJJQBSX-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000686684952 985205124 /nfs/dbraw/zinc/20/51/24/985205124.db2.gz QGPWLQVLVVGSCS-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000686684951 985205874 /nfs/dbraw/zinc/20/58/74/985205874.db2.gz QGPWLQVLVVGSCS-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO Cn1c[nH+]cc1NC1=CC[C@H](C#N)CC1 ZINC001212856103 985236984 /nfs/dbraw/zinc/23/69/84/985236984.db2.gz IUXRAOSPKKBWHD-VIFPVBQESA-N 1 0 202.261 2.040 20 30 BEEDRO C[NH2+]C[C@H](C)Nc1ncc(C#N)c2ccsc21 ZINC001578638094 985247632 /nfs/dbraw/zinc/24/76/32/985247632.db2.gz HNLCYFBDQWFSFA-QMMMGPOBSA-N 1 0 246.339 2.188 20 30 BEEDRO CCCCCCC[C@H](C)[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC001258044341 985342619 /nfs/dbraw/zinc/34/26/19/985342619.db2.gz LZHIWCWOBCALBX-BFHYXJOUSA-N 1 0 243.391 2.020 20 30 BEEDRO CCCCCCC[C@@H](C)[N@H+](C)CC(=O)NC ZINC001258044293 985343761 /nfs/dbraw/zinc/34/37/61/985343761.db2.gz LHYWJBRQBVJGPF-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@@H](C)C(C)C ZINC000687803912 985388509 /nfs/dbraw/zinc/38/85/09/985388509.db2.gz HUFXZERSRQFQLG-RYUDHWBXSA-N 1 0 212.337 2.281 20 30 BEEDRO C#CCCC[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000687853579 985417588 /nfs/dbraw/zinc/41/75/88/985417588.db2.gz YWIZIAXYXJOPMC-LBPRGKRZSA-N 1 0 211.374 2.473 20 30 BEEDRO CCC#C[C@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC001459756028 985601001 /nfs/dbraw/zinc/60/10/01/985601001.db2.gz ZOPFFYDAJBHXNQ-ZDUSSCGKSA-N 1 0 222.376 2.251 20 30 BEEDRO COc1cc(C2=C[NH2+]CCC2)ccc1CC#N ZINC001243950137 985640990 /nfs/dbraw/zinc/64/09/90/985640990.db2.gz NRVZYXFRXUYESK-UHFFFAOYSA-N 1 0 228.295 2.486 20 30 BEEDRO N#Cc1cnc2cc[nH]c(C3=C[NH2+]CCC3)c1-2 ZINC001243950248 985643506 /nfs/dbraw/zinc/64/35/06/985643506.db2.gz ZUXFDLCUWZEUIK-UHFFFAOYSA-N 1 0 224.267 2.159 20 30 BEEDRO COc1cccc(C2=C[NH2+]CCC2)c1C#N ZINC001243950562 985646666 /nfs/dbraw/zinc/64/66/66/985646666.db2.gz ZQNMHAOLHZUNKO-UHFFFAOYSA-N 1 0 214.268 2.291 20 30 BEEDRO C#CCCN1CC[NH+]([C@H](C)[C@H](C)CC)CC1 ZINC001459904723 985662977 /nfs/dbraw/zinc/66/29/77/985662977.db2.gz ZQTCSHHTIBZIIW-ZIAGYGMSSA-N 1 0 222.376 2.062 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CCC1)C2 ZINC001095876315 985778232 /nfs/dbraw/zinc/77/82/32/985778232.db2.gz JHEYMLOURWCKLV-AGIUHOORSA-N 1 0 248.370 2.084 20 30 BEEDRO C#CC[N@@H+](CCOCCC(C)C)C(C)C ZINC001460812259 985903063 /nfs/dbraw/zinc/90/30/63/985903063.db2.gz CQMROSMWFFZHOM-UHFFFAOYSA-N 1 0 211.349 2.393 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCOCC23CCCC3)CC1 ZINC001460968719 985976330 /nfs/dbraw/zinc/97/63/30/985976330.db2.gz XYMHABOEQAGOMZ-LBPRGKRZSA-N 1 0 234.343 2.229 20 30 BEEDRO C#CCOCC[N@@H+]1CC=CC12CCCCC2 ZINC001460983985 985981951 /nfs/dbraw/zinc/98/19/51/985981951.db2.gz WMXNLFSRIRXKGW-UHFFFAOYSA-N 1 0 219.328 2.211 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258687600 986011778 /nfs/dbraw/zinc/01/17/78/986011778.db2.gz MDZBEGJMGRZHEO-WOPDTQHZSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCOC(=O)C(=C)C ZINC001258718609 986045873 /nfs/dbraw/zinc/04/58/73/986045873.db2.gz RXGPPPJGKGTLCA-NSHDSACASA-N 1 0 211.305 2.050 20 30 BEEDRO C=CCC[C@@H](C)N(CC[NH3+])c1cccnc1 ZINC001258720122 986046582 /nfs/dbraw/zinc/04/65/82/986046582.db2.gz RZJQLWFJTAGUOC-GFCCVEGCSA-N 1 0 219.332 2.201 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)c1cccc(O)c1 ZINC001258719980 986047016 /nfs/dbraw/zinc/04/70/16/986047016.db2.gz NZVVWXQZMLFSPF-RISCZKNCSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001258732655 986074726 /nfs/dbraw/zinc/07/47/26/986074726.db2.gz ORVFOUQKDVCVEU-FDYHWXHSSA-N 1 0 209.333 2.308 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001258732899 986078362 /nfs/dbraw/zinc/07/83/62/986078362.db2.gz RVCKPILFVPYBOI-PEBLQZBPSA-N 1 0 221.344 2.450 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC001258733579 986088312 /nfs/dbraw/zinc/08/83/12/986088312.db2.gz JBXFRHWMIZOXOV-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO N#Cc1ccc(CC[NH2+]Cc2ccns2)cc1 ZINC001461626459 986095928 /nfs/dbraw/zinc/09/59/28/986095928.db2.gz CSJSXYORNABXKN-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC2(CCCC2)CC1 ZINC001253575968 986121378 /nfs/dbraw/zinc/12/13/78/986121378.db2.gz HGMBLLOMLCRPIU-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@H](C)[NH3+])c1 ZINC001579609308 986129743 /nfs/dbraw/zinc/12/97/43/986129743.db2.gz UNLRBZKPLVXRTO-DTWKUNHWSA-N 1 0 221.279 2.153 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001461730656 986137237 /nfs/dbraw/zinc/13/72/37/986137237.db2.gz VBHRCKCERPOMBN-AWEZNQCLSA-N 1 0 242.322 2.032 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC001253583337 986146394 /nfs/dbraw/zinc/14/63/94/986146394.db2.gz FQASHMVFIFZKSB-AAEUAGOBSA-N 1 0 235.327 2.235 20 30 BEEDRO N#Cc1csc(C[NH2+]C/C=C\Cl)c1 ZINC001461808008 986173251 /nfs/dbraw/zinc/17/32/51/986173251.db2.gz ZITYJVCMNQMMSW-UPHRSURJSA-N 1 0 212.705 2.462 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC001253586257 986162524 /nfs/dbraw/zinc/16/25/24/986162524.db2.gz KJJYCNDOGILEHW-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cncn1CCC ZINC001461814334 986181509 /nfs/dbraw/zinc/18/15/09/986181509.db2.gz YZQMJJZSGPPRRZ-UHFFFAOYSA-N 1 0 207.321 2.347 20 30 BEEDRO C=C[C@H](O)CNc1ccc(C[NH+]2CCCC2)cc1 ZINC001253588780 986187899 /nfs/dbraw/zinc/18/78/99/986187899.db2.gz ICNRVFCYNXIIHX-HNNXBMFYSA-N 1 0 246.354 2.241 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccccc2OC)CCC1 ZINC001253605904 986265425 /nfs/dbraw/zinc/26/54/25/986265425.db2.gz AJKYLPPWFCUFIR-LBPRGKRZSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC001253605884 986265650 /nfs/dbraw/zinc/26/56/50/986265650.db2.gz AGNPNFTZTNPTAW-RKDXNWHRSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1O ZINC001253608276 986271585 /nfs/dbraw/zinc/27/15/85/986271585.db2.gz KXPLKLFAZILNFZ-CQSZACIVSA-N 1 0 243.306 2.182 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001253612520 986289412 /nfs/dbraw/zinc/28/94/12/986289412.db2.gz ZPAYIYMOAGVPKH-UFBFGSQYSA-N 1 0 239.265 2.089 20 30 BEEDRO C=CCOCC[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000381561410 986304824 /nfs/dbraw/zinc/30/48/24/986304824.db2.gz RKBOXPNNRNCGLB-UHFFFAOYSA-N 1 0 240.734 2.336 20 30 BEEDRO N#Cc1c(Cl)cccc1-c1cnc(C[NH3+])nc1 ZINC001244724155 986321694 /nfs/dbraw/zinc/32/16/94/986321694.db2.gz NXNDQJINRWXCAB-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO C[N@H+](CC(C)(C)C#N)C[C@]1(C)CCCCO1 ZINC001462266317 986327322 /nfs/dbraw/zinc/32/73/22/986327322.db2.gz HRCLXKIHWQPXQA-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1c(C#N)cccc1-c1cc(C[NH3+])ccn1 ZINC001244813876 986347567 /nfs/dbraw/zinc/34/75/67/986347567.db2.gz UKHNTCNMWCIODQ-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cncn1CCC ZINC001462449658 986389791 /nfs/dbraw/zinc/38/97/91/986389791.db2.gz FPIBHARLDCGINV-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462459320 986394551 /nfs/dbraw/zinc/39/45/51/986394551.db2.gz GMYIYIXQSIKJKA-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCCC1)C2 ZINC001096713764 986484774 /nfs/dbraw/zinc/48/47/74/986484774.db2.gz ZUUBPFFAGGDVJR-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO N#Cc1cccc(CN[C@@H]2CCCC[C@H]2[NH3+])c1F ZINC001580076251 986515516 /nfs/dbraw/zinc/51/55/16/986515516.db2.gz SNECJFJJRPXVLG-CHWSQXEVSA-N 1 0 247.317 2.057 20 30 BEEDRO CC=C(NC=[NH2+])c1cccc(C#N)c1F ZINC001245067365 986629062 /nfs/dbraw/zinc/62/90/62/986629062.db2.gz NDKBOOOITQBQCT-SGAXSIHGSA-N 1 0 203.220 2.255 20 30 BEEDRO CCCN(CCC#N)[C@H]1CCC[N@H+](C)CC1 ZINC001254523634 986666659 /nfs/dbraw/zinc/66/66/59/986666659.db2.gz QKOIWJRZSXCDIA-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO N#C[C@@H]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001254637319 986682785 /nfs/dbraw/zinc/68/27/85/986682785.db2.gz QKUMHOIMGHTZEU-OCCSQVGLSA-N 1 0 229.327 2.292 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001254637216 986688325 /nfs/dbraw/zinc/68/83/25/986688325.db2.gz PIOJDIVQMWGGKJ-CHWSQXEVSA-N 1 0 230.311 2.217 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001254639355 986692306 /nfs/dbraw/zinc/69/23/06/986692306.db2.gz UTZUOJDLYGJTEA-YPMHNXCESA-N 1 0 234.343 2.227 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccc1F ZINC001254644766 986697289 /nfs/dbraw/zinc/69/72/89/986697289.db2.gz XGAGXVHUQBWIDF-ZWNOBZJWSA-N 1 0 243.285 2.479 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ccnn32)C1 ZINC001254645499 986698940 /nfs/dbraw/zinc/69/89/40/986698940.db2.gz DAYABHZGVHVVDP-VXGBXAGGSA-N 1 0 240.310 2.116 20 30 BEEDRO CC(C)(C)CN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254647273 986700716 /nfs/dbraw/zinc/70/07/16/986700716.db2.gz BSAWXQOXKXGCNZ-MCIONIFRSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccno1 ZINC001254653830 986702704 /nfs/dbraw/zinc/70/27/04/986702704.db2.gz QEXVPRBTPKYOHK-GUBZILKMSA-N 1 0 205.261 2.017 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@H]3CCO)CC2)C1 ZINC001254659467 986703895 /nfs/dbraw/zinc/70/38/95/986703895.db2.gz AHYLGMZFVAMLBN-MCIONIFRSA-N 1 0 248.370 2.163 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001254659380 986708130 /nfs/dbraw/zinc/70/81/30/986708130.db2.gz PCERXHBOESQZEV-ZNSHCXBVSA-N 1 0 226.270 2.266 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@]1(C)O ZINC001254661737 986714466 /nfs/dbraw/zinc/71/44/66/986714466.db2.gz XKIIWXRVIJCRDO-RQJABVFESA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@H]1CC[C@@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001254668935 986718856 /nfs/dbraw/zinc/71/88/56/986718856.db2.gz LTNUHGLJWURBCE-RRFJBIMHSA-N 1 0 247.386 2.239 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001254673837 986726546 /nfs/dbraw/zinc/72/65/46/986726546.db2.gz PYJOISNLBUJHBD-WCQYABFASA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254923083 986741592 /nfs/dbraw/zinc/74/15/92/986741592.db2.gz AENFXYRJZYRGRA-LPWJVIDDSA-N 1 0 246.354 2.416 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254923079 986741945 /nfs/dbraw/zinc/74/19/45/986741945.db2.gz AENFXYRJZYRGRA-FDYHWXHSSA-N 1 0 246.354 2.416 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2ccc(F)cc12 ZINC001137339940 986806985 /nfs/dbraw/zinc/80/69/85/986806985.db2.gz KFRJJZFUCQMWFY-UHFFFAOYSA-N 1 0 216.259 2.372 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(c2ccccc2)COC1 ZINC001255153431 986825188 /nfs/dbraw/zinc/82/51/88/986825188.db2.gz WJRUAUDXKJOARD-AWEZNQCLSA-N 1 0 244.338 2.236 20 30 BEEDRO CC[C@H](CC#N)Nc1cccc(F)c1C[NH3+] ZINC001255153524 986826381 /nfs/dbraw/zinc/82/63/81/986826381.db2.gz YSGHLFXUBZZRGI-SECBINFHSA-N 1 0 221.279 2.389 20 30 BEEDRO CCOC(=O)C1(C[NH2+][C@@H](CC)CC#N)CCC1 ZINC001255154304 986827379 /nfs/dbraw/zinc/82/73/79/986827379.db2.gz GOFOKVSQXRAUGD-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1ccsc1 ZINC001467500158 986854122 /nfs/dbraw/zinc/85/41/22/986854122.db2.gz BPQCIGHOUKRLJL-JTQLQIEISA-N 1 0 238.356 2.043 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C=C1CCC1 ZINC001265766075 986859091 /nfs/dbraw/zinc/85/90/91/986859091.db2.gz CACDTMCKJVMOJK-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC2(CCCO2)CC1 ZINC001255173611 986868905 /nfs/dbraw/zinc/86/89/05/986868905.db2.gz MWEOGYJHRPWPDY-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC(n2ccnc2)CC1 ZINC001255174929 986870610 /nfs/dbraw/zinc/87/06/10/986870610.db2.gz KELDYNQHGDFEQU-GFCCVEGCSA-N 1 0 232.331 2.212 20 30 BEEDRO N#Cc1ccc(-c2ccc3c(n2)CC[NH2+]C3)cc1 ZINC001245494907 986873717 /nfs/dbraw/zinc/87/37/17/986873717.db2.gz ZTJGXGJVSOOLQI-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO [NH3+]Cc1cnccc1-c1ccccc1C=NO ZINC001245559556 986949170 /nfs/dbraw/zinc/94/91/70/986949170.db2.gz DKVOXTFZSVKGKW-UHFFFAOYSA-N 1 0 227.267 2.015 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CCCC)C1 ZINC001490992630 987099506 /nfs/dbraw/zinc/09/95/06/987099506.db2.gz MUTSFHMXNDKURE-BETUJISGSA-N 1 0 238.375 2.380 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CCC[C@@H](C#N)C1 ZINC001255964434 987102826 /nfs/dbraw/zinc/10/28/26/987102826.db2.gz SJPGZOBEHIMAAA-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO N#Cc1cnc(-c2ccc3c[nH+]cn3c2)c(F)c1 ZINC001245894912 987112093 /nfs/dbraw/zinc/11/20/93/987112093.db2.gz NDJDYJIUBZHRHK-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO N#CCC1(NC2CC[NH+](C3CC3)CC2)CCCC1 ZINC001256073191 987127436 /nfs/dbraw/zinc/12/74/36/987127436.db2.gz OFYYDOKSBQLLQJ-UHFFFAOYSA-N 1 0 247.386 2.429 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001491404248 987148889 /nfs/dbraw/zinc/14/88/89/987148889.db2.gz RTYRTTSPXNBZNE-YTRUQHMWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[NH2+]C[C@@H](C)CC ZINC001491412466 987156203 /nfs/dbraw/zinc/15/62/03/987156203.db2.gz ZYFCQCCGIXFCAC-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)S ZINC001256400338 987210657 /nfs/dbraw/zinc/21/06/57/987210657.db2.gz HFEOVSAJXRPSSK-JTQLQIEISA-N 1 0 224.373 2.311 20 30 BEEDRO C=CCCC(=O)NCC[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001102762443 987225094 /nfs/dbraw/zinc/22/50/94/987225094.db2.gz ADYUNBMVPBXIPR-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]CCCC ZINC001491548819 987228609 /nfs/dbraw/zinc/22/86/09/987228609.db2.gz PSTAPTUAXZFKOX-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCCCCC[C@H](O)CNCC[NH2+]CC ZINC001245996584 987280466 /nfs/dbraw/zinc/28/04/66/987280466.db2.gz VVJIOLTXFVBNPI-AWEZNQCLSA-N 1 0 242.407 2.073 20 30 BEEDRO CCCCCCCC[C@@H](O)CN1CC(C)([NH3+])C1 ZINC001246014287 987297301 /nfs/dbraw/zinc/29/73/01/987297301.db2.gz AKOBYBLWXRBYCD-CYBMUJFWSA-N 1 0 242.407 2.131 20 30 BEEDRO C#C[C@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)C ZINC000694003805 987318795 /nfs/dbraw/zinc/31/87/95/987318795.db2.gz SSXFRAKTLDWBOO-LBPRGKRZSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(COC)cs1 ZINC000695515753 987333192 /nfs/dbraw/zinc/33/31/92/987333192.db2.gz OEKPTJAQVZGCBW-LLVKDONJSA-N 1 0 223.341 2.396 20 30 BEEDRO C#CC[N@H+](CC)CCCc1scnc1C ZINC001473207425 987354251 /nfs/dbraw/zinc/35/42/51/987354251.db2.gz RCFYPOGJWDBJBB-UHFFFAOYSA-N 1 0 222.357 2.339 20 30 BEEDRO CCCCCCCC[C@@H](O)CN1CC[C@@H]1[NH2+]C ZINC001246071497 987357766 /nfs/dbraw/zinc/35/77/66/987357766.db2.gz REEXZUBXAANPGW-ZIAGYGMSSA-N 1 0 242.407 2.349 20 30 BEEDRO CCCCCCCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000697613610 987361468 /nfs/dbraw/zinc/36/14/68/987361468.db2.gz NMWFKLNTJQTQEE-LBPRGKRZSA-N 1 0 249.420 2.370 20 30 BEEDRO CCCCCCCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000697613609 987361728 /nfs/dbraw/zinc/36/17/28/987361728.db2.gz NMWFKLNTJQTQEE-GFCCVEGCSA-N 1 0 249.420 2.370 20 30 BEEDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000400793221 987379235 /nfs/dbraw/zinc/37/92/35/987379235.db2.gz VPCBQPSSIPHSMO-ZWNOBZJWSA-N 1 0 245.326 2.260 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1COC[C@@H]1N ZINC001246121164 987467918 /nfs/dbraw/zinc/46/79/18/987467918.db2.gz KGIJCPDZMXXADD-HZSPNIEDSA-N 1 0 242.407 2.441 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1=NOCC1 ZINC001473637254 987510195 /nfs/dbraw/zinc/51/01/95/987510195.db2.gz DTYVUNXPYQWKEG-AAEUAGOBSA-N 1 0 222.332 2.487 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1=NOCC1 ZINC001473637256 987515010 /nfs/dbraw/zinc/51/50/10/987515010.db2.gz DTYVUNXPYQWKEG-WCQYABFASA-N 1 0 222.332 2.487 20 30 BEEDRO C#CC[N@@H+](Cc1cnn2ccccc12)CC1CC1 ZINC001116449752 987583875 /nfs/dbraw/zinc/58/38/75/987583875.db2.gz SMCXWAXQMAJVEE-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@H]1CC[C@H](NC2(C#N)CCCCCC2)C[NH2+]1 ZINC001246194116 987587251 /nfs/dbraw/zinc/58/72/51/987587251.db2.gz ZILKOXJWUGISKT-STQMWFEESA-N 1 0 235.375 2.333 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1[C@H]1CCN(CC=C)C1=O ZINC001473857053 987588171 /nfs/dbraw/zinc/58/81/71/987588171.db2.gz BFVPNFQWCMHOGZ-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC001473857602 987590744 /nfs/dbraw/zinc/59/07/44/987590744.db2.gz XWCXBLPWSFJAAO-ZJUUUORDSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCc1cnn(C)c1 ZINC001473857067 987591308 /nfs/dbraw/zinc/59/13/08/987591308.db2.gz BYPRIYINAOCCIX-CQSZACIVSA-N 1 0 233.359 2.393 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@@]23CCOC3)o1 ZINC001473895712 987607752 /nfs/dbraw/zinc/60/77/52/987607752.db2.gz STCRVKWFQNOKMY-AWEZNQCLSA-N 1 0 246.310 2.296 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]1Cc1ccnn1C ZINC001473899747 987613267 /nfs/dbraw/zinc/61/32/67/987613267.db2.gz SDOJKOYJQBLTES-AWEZNQCLSA-N 1 0 233.359 2.393 20 30 BEEDRO C[C@@H]1CC[C@@H](N[C@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232398 987628918 /nfs/dbraw/zinc/62/89/18/987628918.db2.gz WUHPCGUJLCGUKN-LERXQTSPSA-N 1 0 247.317 2.120 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C3(CC)CNC3)C[C@H](C1)C2 ZINC001246233785 987632346 /nfs/dbraw/zinc/63/23/46/987632346.db2.gz FCNAUNUFMAEEMS-PBWFPOADSA-N 1 0 234.387 2.463 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cn(CCC)nc1C ZINC001474067197 987636014 /nfs/dbraw/zinc/63/60/14/987636014.db2.gz IDOLGGAIXOMICG-JTQLQIEISA-N 1 0 207.321 2.266 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC001116620169 987646188 /nfs/dbraw/zinc/64/61/88/987646188.db2.gz GEYSBGSNXBNWRU-JQWIXIFHSA-N 1 0 249.310 2.267 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C1CN(C(=O)OC)C1 ZINC001474459226 987720282 /nfs/dbraw/zinc/72/02/82/987720282.db2.gz WWJRHJJSWBJOKC-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO N#CCC[NH2+]CCCc1ccc(F)c(F)c1 ZINC001474481092 987734740 /nfs/dbraw/zinc/73/47/40/987734740.db2.gz OKAKJGFSDCTVHF-UHFFFAOYSA-N 1 0 224.254 2.401 20 30 BEEDRO CO[C@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC001474495798 987740395 /nfs/dbraw/zinc/74/03/95/987740395.db2.gz CAOCDACHFCKBLI-YGRLFVJLSA-N 1 0 230.311 2.170 20 30 BEEDRO C=C1CC=C(F)C=C1NC1CC[NH2+]CC1 ZINC001246333820 987741664 /nfs/dbraw/zinc/74/16/64/987741664.db2.gz AOUHBRFZOVZAHJ-UHFFFAOYSA-N 1 0 208.280 2.025 20 30 BEEDRO C#C[C@@H](CO)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC001474648801 987791554 /nfs/dbraw/zinc/79/15/54/987791554.db2.gz OZXXPFNKMQRPIR-GWCFXTLKSA-N 1 0 237.730 2.027 20 30 BEEDRO CCCCCCC[C@H](CC)N[C@H]1C[NH2+]C[C@@H]1N ZINC001246445023 987803004 /nfs/dbraw/zinc/80/30/04/987803004.db2.gz FJGDIEGTGSUCDV-IHRRRGAJSA-N 1 0 241.423 2.014 20 30 BEEDRO N#CC1CCC([NH2+][C@H](CN)c2ccccc2)CC1 ZINC001246508180 987863117 /nfs/dbraw/zinc/86/31/17/987863117.db2.gz QWBCFJWQENWZTM-PESDSKBTSA-N 1 0 243.354 2.358 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(CC)cn1)CC1CC1 ZINC001117706546 987870196 /nfs/dbraw/zinc/87/01/96/987870196.db2.gz JSHGCBYXLMKVFL-UHFFFAOYSA-N 1 0 228.339 2.489 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1CC[C@@H](SC)C1 ZINC001117705555 987870350 /nfs/dbraw/zinc/87/03/50/987870350.db2.gz VSMHGFDQUUSREA-VXGBXAGGSA-N 1 0 229.389 2.405 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]CC=C)C1 ZINC001479315504 987894211 /nfs/dbraw/zinc/89/42/11/987894211.db2.gz TWHNEJOHMPRMMT-BETUJISGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]C/C=C/Cl ZINC001321531280 987935829 /nfs/dbraw/zinc/93/58/29/987935829.db2.gz FTTPWMSEQYIHRD-TZOMUSMUSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@](C)(F)CCCC ZINC001321558970 987942159 /nfs/dbraw/zinc/94/21/59/987942159.db2.gz AWDLENSXEVCBHQ-YPMHNXCESA-N 1 0 244.354 2.185 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](CC)c1ccncc1 ZINC001117831366 987944205 /nfs/dbraw/zinc/94/42/05/987944205.db2.gz MTZLGGCPHQUYOY-STQMWFEESA-N 1 0 220.316 2.323 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001480152336 987951427 /nfs/dbraw/zinc/95/14/27/987951427.db2.gz SEBDRRPZKIFWOP-UMVBOHGHSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)CC(C)C)C1 ZINC001480191476 987954290 /nfs/dbraw/zinc/95/42/90/987954290.db2.gz ZTEKWGWVKSLHFO-PHIMTYICSA-N 1 0 244.766 2.022 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001480216768 987957498 /nfs/dbraw/zinc/95/74/98/987957498.db2.gz ROCBMMCSDMVTMP-TXEJJXNPSA-N 1 0 238.375 2.234 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001117933567 987959955 /nfs/dbraw/zinc/95/99/55/987959955.db2.gz MJVWBQZFXSNWOQ-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]1CC[C@@H](CN)[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246555501 987965046 /nfs/dbraw/zinc/96/50/46/987965046.db2.gz HBAUVLWIANXTJQ-ABXWRUBCSA-N 1 0 235.375 2.128 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)CCC1CCCC1 ZINC001480419174 987972904 /nfs/dbraw/zinc/97/29/04/987972904.db2.gz WAZAGFIWVGKETO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001480423240 987975252 /nfs/dbraw/zinc/97/52/52/987975252.db2.gz ZUYPKJBVDKYSQH-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@@H](C)c1cnc(C)cn1 ZINC001117992793 987977602 /nfs/dbraw/zinc/97/76/02/987977602.db2.gz CXOCGTGXJUMPGW-LBPRGKRZSA-N 1 0 229.327 2.191 20 30 BEEDRO CCCCCCC[C@H](CC)[N@@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246559189 987981630 /nfs/dbraw/zinc/98/16/30/987981630.db2.gz SKLMTLCGGDMDHU-BFHYXJOUSA-N 1 0 242.407 2.129 20 30 BEEDRO C=CCCCC(=O)NC[C@H](C)[NH2+]C/C=C\Cl ZINC001480526343 987996118 /nfs/dbraw/zinc/99/61/18/987996118.db2.gz DCWFETSEXMKNBQ-JYKYSHPRSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001480533938 987999604 /nfs/dbraw/zinc/99/96/04/987999604.db2.gz MZWMKOXWEJDUAF-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)CCC ZINC001480814612 988035460 /nfs/dbraw/zinc/03/54/60/988035460.db2.gz HDYFLNUYNQDUDD-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C(C)C ZINC001480817437 988035669 /nfs/dbraw/zinc/03/56/69/988035669.db2.gz MWJQEJIKKJUACA-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[C@H](C)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246568594 988043253 /nfs/dbraw/zinc/04/32/53/988043253.db2.gz ADOZEFCUPCOJIX-BFHYXJOUSA-N 1 0 242.407 2.129 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)C(C)(C)C ZINC001493049655 988051061 /nfs/dbraw/zinc/05/10/61/988051061.db2.gz RLCKXBDZBOSUKQ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)CC1(C)CC1 ZINC001492993852 988056373 /nfs/dbraw/zinc/05/63/73/988056373.db2.gz VVEOBGZKPNCFRT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC)C1 ZINC001493180604 988063178 /nfs/dbraw/zinc/06/31/78/988063178.db2.gz YWUDBNIYNCLCHK-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)=C1CCC1 ZINC001493095491 988066984 /nfs/dbraw/zinc/06/69/84/988066984.db2.gz DJNFPYLNRZQJNQ-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)C1(CC)CC1 ZINC001321978354 988069129 /nfs/dbraw/zinc/06/91/29/988069129.db2.gz MKAHHPGRGNOCAO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@@H](C)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001246577133 988094782 /nfs/dbraw/zinc/09/47/82/988094782.db2.gz VQJRWMQOGYKTJG-NXEZZACHSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)c1ccccc1CC ZINC001493674279 988103171 /nfs/dbraw/zinc/10/31/71/988103171.db2.gz DBRSSZVEIYSSNP-UHFFFAOYSA-N 1 0 246.354 2.097 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001322103969 988111761 /nfs/dbraw/zinc/11/17/61/988111761.db2.gz LNKHWIMUMHBZIZ-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246583698 988122820 /nfs/dbraw/zinc/12/28/20/988122820.db2.gz RLCTUPDSFGFXJK-UWVGGRQHSA-N 1 0 218.291 2.009 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CC ZINC001322147165 988139610 /nfs/dbraw/zinc/13/96/10/988139610.db2.gz LWIJXZISUHMKBQ-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC1C[NH+](CCC)C1 ZINC001494554805 988159813 /nfs/dbraw/zinc/15/98/13/988159813.db2.gz AYGNDFBAOWTHIG-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)CCCC)C1 ZINC001494810384 988190331 /nfs/dbraw/zinc/19/03/31/988190331.db2.gz SWLUDJWIXFDXJY-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C1CCCCC1 ZINC001494933759 988196640 /nfs/dbraw/zinc/19/66/40/988196640.db2.gz MOTOVVVBYDOUOL-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)C[C@@H](C)CC ZINC001494971826 988204571 /nfs/dbraw/zinc/20/45/71/988204571.db2.gz VNTWHBPFHBFFCF-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)/C(C)=C/C ZINC001494962455 988206691 /nfs/dbraw/zinc/20/66/91/988206691.db2.gz UTLFQMKGUGXFBG-BCMYLCSRSA-N 1 0 224.348 2.013 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCNC[C@@H](O)C1 ZINC001246605311 988216950 /nfs/dbraw/zinc/21/69/50/988216950.db2.gz WOHCHVZZLDSZFJ-ZIAGYGMSSA-N 1 0 242.407 2.002 20 30 BEEDRO C=CC[NH2+]C[C@](C)(NC(=O)C=C(C)C)C1CC1 ZINC001495217507 988218092 /nfs/dbraw/zinc/21/80/92/988218092.db2.gz HEKNSRBTZVNJSA-AWEZNQCLSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC)CC1 ZINC001495455391 988220975 /nfs/dbraw/zinc/22/09/75/988220975.db2.gz CSCFOLKZXDMTCG-JOCQHMNTSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@H](C)CC ZINC001495652110 988239661 /nfs/dbraw/zinc/23/96/61/988239661.db2.gz NGDSOEQEQFFHIJ-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CC ZINC001496005624 988269375 /nfs/dbraw/zinc/26/93/75/988269375.db2.gz XSOZTDLZWRZADI-GXSJLCMTSA-N 1 0 246.782 2.222 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]C[C@H](C)CC ZINC001496018603 988270697 /nfs/dbraw/zinc/27/06/97/988270697.db2.gz VNIXBMYSUNYSAM-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001496072501 988281248 /nfs/dbraw/zinc/28/12/48/988281248.db2.gz QVUNWTLVLWQMNH-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CCCF ZINC001496130801 988288546 /nfs/dbraw/zinc/28/85/46/988288546.db2.gz IGGJSIIPKHKWJI-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)[C@H](C)C[NH2+]CCC)C1 ZINC001496154172 988288632 /nfs/dbraw/zinc/28/86/32/988288632.db2.gz YXDGNOVQEJEQLT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC[C@H]4[NH2+]C[C@H]4C3)C[C@H](C1)C2 ZINC001246630965 988311002 /nfs/dbraw/zinc/31/10/02/988311002.db2.gz MPOUAKDDIUFPRX-YSEJDXQZSA-N 1 0 246.398 2.415 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CC[N@@H+](C)C(C)C ZINC001496791955 988332836 /nfs/dbraw/zinc/33/28/36/988332836.db2.gz LLMDFTUGFQHXEA-UHFFFAOYSA-N 1 0 240.391 2.387 20 30 BEEDRO C[C@H](CCCC#N)N1CCCC[C@@]12CC[NH2+]C2 ZINC001246643991 988352960 /nfs/dbraw/zinc/35/29/60/988352960.db2.gz OSFMYEUQQKSIGA-KGLIPLIRSA-N 1 0 235.375 2.287 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C1CCCCC1 ZINC001497131709 988357431 /nfs/dbraw/zinc/35/74/31/988357431.db2.gz JAEOGFWPYNCZCH-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H](CCCC#N)N1CCCC[C@]12CC[NH2+]C2 ZINC001246643994 988358315 /nfs/dbraw/zinc/35/83/15/988358315.db2.gz OSFMYEUQQKSIGA-ZIAGYGMSSA-N 1 0 235.375 2.287 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C=C(CC)CC ZINC001497164943 988362930 /nfs/dbraw/zinc/36/29/30/988362930.db2.gz FZFGCPPVDXMUFG-GFCCVEGCSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001497241123 988366931 /nfs/dbraw/zinc/36/69/31/988366931.db2.gz LHINVNLXOYIGOV-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)C=C1CCC1 ZINC001497559895 988395976 /nfs/dbraw/zinc/39/59/76/988395976.db2.gz QYJVECJJURVOJT-WAYWQWQTSA-N 1 0 248.370 2.325 20 30 BEEDRO C=C(C)CC[N@@H+](C)C(C)(C)CC(=O)OC ZINC001322876456 988396335 /nfs/dbraw/zinc/39/63/35/988396335.db2.gz BCBLXDSYXMVGSL-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[NH2+]C/C=C\CNC(=O)C(C)(C)C=C ZINC001497649641 988404474 /nfs/dbraw/zinc/40/44/74/988404474.db2.gz KOKSNMDBVNXJMV-HJWRWDBZSA-N 1 0 236.359 2.037 20 30 BEEDRO C=C1CC(C)(C(=O)NC/C=C\C[NH2+]CC2CC2)C1 ZINC001497672847 988405646 /nfs/dbraw/zinc/40/56/46/988405646.db2.gz JVZRHFNFSINIRZ-ARJAWSKDSA-N 1 0 248.370 2.015 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C[NH2+]CC)C1CC1 ZINC001323064776 988439511 /nfs/dbraw/zinc/43/95/11/988439511.db2.gz RCVCADVBXWVDQR-GXTWGEPZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001498027772 988448665 /nfs/dbraw/zinc/44/86/65/988448665.db2.gz NAEBNMWDGUUJCT-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC001246767922 988456337 /nfs/dbraw/zinc/45/63/37/988456337.db2.gz CZYQHDVLGGBRDV-WFASDCNBSA-N 1 0 243.354 2.131 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCN[C@@H](CO)C1 ZINC001246799145 988478442 /nfs/dbraw/zinc/47/84/42/988478442.db2.gz WHIMZHGRGHBKLL-ZIAGYGMSSA-N 1 0 242.407 2.002 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[N@H+](C)CCCF ZINC001498292847 988482713 /nfs/dbraw/zinc/48/27/13/988482713.db2.gz HCNAHEVTHBXSJM-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)[C@@H](C)C1CC1 ZINC001498531899 988492168 /nfs/dbraw/zinc/49/21/68/988492168.db2.gz OOIIJMQOUGPNLN-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)/C=C(/C)CC ZINC001498541880 988492284 /nfs/dbraw/zinc/49/22/84/988492284.db2.gz OZRXRCYEAVVTPY-RAXLEYEMSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C(C)(C)CC=C ZINC001498618465 988495683 /nfs/dbraw/zinc/49/56/83/988495683.db2.gz DUROIWVIXRBVNX-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001323337970 988500924 /nfs/dbraw/zinc/50/09/24/988500924.db2.gz JSJORRDGGMKXPR-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C=C(C)C ZINC001498920657 988517790 /nfs/dbraw/zinc/51/77/90/988517790.db2.gz ORQCXUSTFLNJDT-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C1C[C@@H]2CC(N(C)C3C[NH2+]C3)C[C@H](C1)C2 ZINC001246828520 988524384 /nfs/dbraw/zinc/52/43/84/988524384.db2.gz BVTVGMCMANHLFT-FUNVUKJBSA-N 1 0 220.360 2.025 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(CCC)CC1 ZINC001323486334 988538373 /nfs/dbraw/zinc/53/83/73/988538373.db2.gz ZZNVIOQXXFZDRR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001499805482 988556967 /nfs/dbraw/zinc/55/69/67/988556967.db2.gz ICPROKRYLARMNM-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC=C)C[C@H]1C ZINC001499819978 988558072 /nfs/dbraw/zinc/55/80/72/988558072.db2.gz ZFMQXSKDELEQAF-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@@H](C)C1 ZINC001499813102 988560366 /nfs/dbraw/zinc/56/03/66/988560366.db2.gz HOUUOMNFISKDHI-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[NH2+]C[C@H](NC(C)=O)C1CCCC1 ZINC001500065403 988567493 /nfs/dbraw/zinc/56/74/93/988567493.db2.gz UJHNTDQUFNUOLU-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](NC(C)=O)C1CCCC1 ZINC001500065404 988567813 /nfs/dbraw/zinc/56/78/13/988567813.db2.gz UJHNTDQUFNUOLU-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)CCCC)C1 ZINC001500183426 988576378 /nfs/dbraw/zinc/57/63/78/988576378.db2.gz REISVWCVXREFAU-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)C=C2CCC2)C1 ZINC001500335214 988579697 /nfs/dbraw/zinc/57/96/97/988579697.db2.gz OUZPJCZUWSQSGN-HNNXBMFYSA-N 1 0 248.370 2.111 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(C(=O)OC)c1)C(C)C ZINC001323710035 988587488 /nfs/dbraw/zinc/58/74/88/988587488.db2.gz BNGTZCKNWMRFKE-AWEZNQCLSA-N 1 0 245.322 2.221 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)/C(C)=C\CC ZINC001503110438 988654321 /nfs/dbraw/zinc/65/43/21/988654321.db2.gz MWQNRVUMGOYUPQ-FSBNRTBOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)CN[NH+]=C1CCN(C)c2ccccc21 ZINC001323947946 988658447 /nfs/dbraw/zinc/65/84/47/988658447.db2.gz FAGKFIKBTPJRLR-UHFFFAOYSA-N 1 0 229.327 2.396 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCN[C@@H](CCC)C1 ZINC001246901384 988674309 /nfs/dbraw/zinc/67/43/09/988674309.db2.gz CIWMWMVKUNGJLS-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCN[C@@H](CCC)C1 ZINC001246901382 988676576 /nfs/dbraw/zinc/67/65/76/988676576.db2.gz CIWMWMVKUNGJLS-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccc(C)c1 ZINC001505550101 988690624 /nfs/dbraw/zinc/69/06/24/988690624.db2.gz GDAXHSMXMLZNLV-OLZOCXBDSA-N 1 0 246.354 2.277 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)(C)C ZINC001505559676 988695224 /nfs/dbraw/zinc/69/52/24/988695224.db2.gz REFQSLYGLZCHGI-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(CC)CC ZINC001505561232 988696003 /nfs/dbraw/zinc/69/60/03/988696003.db2.gz JTFWURMGFWKTIO-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001505735651 988711299 /nfs/dbraw/zinc/71/12/99/988711299.db2.gz NSZCBJQQSQKUHS-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](C)CCC ZINC001118943189 988724208 /nfs/dbraw/zinc/72/42/08/988724208.db2.gz YWRCDNNKJKQXML-CHWSQXEVSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](F)CC ZINC001505978242 988753036 /nfs/dbraw/zinc/75/30/36/988753036.db2.gz AAXYBDKTZMJCDS-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC ZINC001505990422 988753452 /nfs/dbraw/zinc/75/34/52/988753452.db2.gz FAMWIDXNZNUNRM-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C ZINC001506045092 988764945 /nfs/dbraw/zinc/76/49/45/988764945.db2.gz OOYXFJDUNOGADF-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)C(C)C ZINC001506531060 988784558 /nfs/dbraw/zinc/78/45/58/988784558.db2.gz PJANJDOIXRNCIY-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)(C)C ZINC001506560969 988787328 /nfs/dbraw/zinc/78/73/28/988787328.db2.gz SFACLVLNEDSRCK-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C1(C)CC1 ZINC001506921878 988799975 /nfs/dbraw/zinc/79/99/75/988799975.db2.gz RAMXRJZWJNLAFS-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)CCC[NH2+]CC ZINC001506935005 988801013 /nfs/dbraw/zinc/80/10/13/988801013.db2.gz ZRYIEQUXHBEZEQ-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)C1(C)CCC1 ZINC001506933170 988802356 /nfs/dbraw/zinc/80/23/56/988802356.db2.gz KZHANZRFTCBVFF-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1=CCCC1 ZINC001507063057 988811772 /nfs/dbraw/zinc/81/17/72/988811772.db2.gz UJGQNLUQJIHQBR-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]C[C@H](F)CC ZINC001507057252 988812238 /nfs/dbraw/zinc/81/22/38/988812238.db2.gz QVYJEYCMTPWZHT-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)CCCC ZINC001507069101 988813134 /nfs/dbraw/zinc/81/31/34/988813134.db2.gz JPLVDPKRMCVUHP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001507112922 988814429 /nfs/dbraw/zinc/81/44/29/988814429.db2.gz LIARFYAGWFMDJK-STQMWFEESA-N 1 0 240.391 2.434 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C1(C)CC1 ZINC001507077440 988815617 /nfs/dbraw/zinc/81/56/17/988815617.db2.gz LXRDKTYZRDHFHW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001507119026 988820651 /nfs/dbraw/zinc/82/06/51/988820651.db2.gz RBPLJKNJHSBFJL-GXTWGEPZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCCN(C)C(=O)Nc1cc(C)nc(C)c1 ZINC001324395441 988826119 /nfs/dbraw/zinc/82/61/19/988826119.db2.gz FSKSWHDZRKVRPA-UHFFFAOYSA-N 1 0 233.315 2.160 20 30 BEEDRO C=CCC[C@@H](C)N1CC[NH2+]C[C@H]1C(F)(F)F ZINC001246995269 988827343 /nfs/dbraw/zinc/82/73/43/988827343.db2.gz YORMZDFWPYPFLQ-ZJUUUORDSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)/C(C)=C/C)C(C)(C)C ZINC001507907374 988845657 /nfs/dbraw/zinc/84/56/57/988845657.db2.gz NAYCPEKXYMEZPE-JATZPVMKSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C ZINC001508035694 988846501 /nfs/dbraw/zinc/84/65/01/988846501.db2.gz HWCSJJUKGNRLNF-LLVKDONJSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[N@H+]1CC=C(CNC(=O)C=C2CCC2)CC1 ZINC001508199446 988849191 /nfs/dbraw/zinc/84/91/91/988849191.db2.gz HSAXXGBHBHUIAV-UHFFFAOYSA-N 1 0 246.354 2.031 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)/C(C)=C/C)C1 ZINC001508101183 988849336 /nfs/dbraw/zinc/84/93/36/988849336.db2.gz OGDPTFASGXJITB-IZZDOVSWSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)NCC1=CC[N@H+](CCC=C)CC1 ZINC001508196117 988849769 /nfs/dbraw/zinc/84/97/69/988849769.db2.gz XBDAJEHUWUNPKD-UHFFFAOYSA-N 1 0 248.370 2.277 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC001119237463 988852457 /nfs/dbraw/zinc/85/24/57/988852457.db2.gz HDCPREUGQKSDDY-OLZOCXBDSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CCC)C1 ZINC001324570246 988876485 /nfs/dbraw/zinc/87/64/85/988876485.db2.gz DAAKCABOTZHEOR-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001324634608 988897540 /nfs/dbraw/zinc/89/75/40/988897540.db2.gz BTTMZUYFWDFWRT-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[N@@H+](C)CCC ZINC001514860082 988958572 /nfs/dbraw/zinc/95/85/72/988958572.db2.gz VHPDISUQISFGND-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CC(C)(C)C[NH3+] ZINC001514881220 988959338 /nfs/dbraw/zinc/95/93/38/988959338.db2.gz GSXRLQFNPOQOQO-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO CC(C)([NH3+])C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001119377319 989017054 /nfs/dbraw/zinc/01/70/54/989017054.db2.gz MGBWPVRENWANIE-UHFFFAOYSA-N 1 0 243.310 2.111 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC001324968549 989039625 /nfs/dbraw/zinc/03/96/25/989039625.db2.gz WKEGIEVZFHPYCE-CQSZACIVSA-N 1 0 232.327 2.167 20 30 BEEDRO C#CCOCC[N@@H+](C)CC[C@@H]1C[C@H]1C1CC1 ZINC001119435575 989064763 /nfs/dbraw/zinc/06/47/63/989064763.db2.gz PHTPPONOVPCBDF-KGLIPLIRSA-N 1 0 221.344 2.004 20 30 BEEDRO COC(=O)c1cccc(C[NH2+]CCCCC#N)c1 ZINC001325035195 989065976 /nfs/dbraw/zinc/06/59/76/989065976.db2.gz IWSFHUHOJJPYNX-UHFFFAOYSA-N 1 0 246.310 2.257 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001325151648 989103103 /nfs/dbraw/zinc/10/31/03/989103103.db2.gz WXKZGIGTAVMNJL-JTQLQIEISA-N 1 0 243.310 2.337 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@@H](C)c1ccncc1 ZINC001325180994 989112739 /nfs/dbraw/zinc/11/27/39/989112739.db2.gz INBCWBMNFLXXRZ-LBPRGKRZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(-c2ccn(C)n2)cc1 ZINC001248766210 989145037 /nfs/dbraw/zinc/14/50/37/989145037.db2.gz IIHIDLJBADRTQP-UHFFFAOYSA-N 1 0 239.322 2.152 20 30 BEEDRO N#C[C@H]1CCCN(Cc2ccc3n2CCC3)C1 ZINC001248823740 989182854 /nfs/dbraw/zinc/18/28/54/989182854.db2.gz KDKWRMDLZPVYHX-GFCCVEGCSA-N 1 0 229.327 2.170 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001325408983 989184259 /nfs/dbraw/zinc/18/42/59/989184259.db2.gz ABYLKJAHHNDYBF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC001325501882 989201750 /nfs/dbraw/zinc/20/17/50/989201750.db2.gz MNYZCTOLCBQTPC-ROKHWSDSSA-N 1 0 239.359 2.219 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C2=CCCCC2)CC1 ZINC001517137971 989202755 /nfs/dbraw/zinc/20/27/55/989202755.db2.gz XFJPGQYFIJOIGC-UHFFFAOYSA-N 1 0 247.338 2.128 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(C)cc1C ZINC001325513578 989206856 /nfs/dbraw/zinc/20/68/56/989206856.db2.gz VCZGZICPWZSIAR-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(C)c(C)cc1O ZINC001325620329 989215629 /nfs/dbraw/zinc/21/56/29/989215629.db2.gz VMIGONNWGDFTLL-ZDUSSCGKSA-N 1 0 235.327 2.300 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)Cc1ccccc1OC ZINC001325619465 989221125 /nfs/dbraw/zinc/22/11/25/989221125.db2.gz GMSDLIQMMKKAOB-JSGCOSHPSA-N 1 0 249.354 2.417 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2c1cccc2OC ZINC001325620496 989221171 /nfs/dbraw/zinc/22/11/71/989221171.db2.gz ZOCFLFHKSZZRPR-RISCZKNCSA-N 1 0 247.338 2.473 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249082018 989248575 /nfs/dbraw/zinc/24/85/75/989248575.db2.gz DOZLLMDVTGHFKK-LLVKDONJSA-N 1 0 240.310 2.190 20 30 BEEDRO N#Cc1ccc2cc(C[NH+]3CCC3)[nH]c2c1 ZINC001249426306 989275786 /nfs/dbraw/zinc/27/57/86/989275786.db2.gz LSZPTBTZVQEAPY-UHFFFAOYSA-N 1 0 211.268 2.245 20 30 BEEDRO CSC[C@@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC001119688602 989333373 /nfs/dbraw/zinc/33/33/73/989333373.db2.gz JBXFNZMNWSUGAT-GHMZBOCLSA-N 1 0 244.404 2.018 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@](O)(CC)C(F)(F)F ZINC001119690153 989334192 /nfs/dbraw/zinc/33/41/92/989334192.db2.gz MDIWNGXYDBQVOS-NSHDSACASA-N 1 0 249.276 2.035 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@H]1O ZINC001119744812 989380408 /nfs/dbraw/zinc/38/04/08/989380408.db2.gz IZPINFSCEHIVRA-BLYZHGLHSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCC1=O ZINC001119744323 989382151 /nfs/dbraw/zinc/38/21/51/989382151.db2.gz YGGFYOWXMYBBFL-HIFPTAJRSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NCC[C@H](C)[NH2+]C ZINC001326133386 989384487 /nfs/dbraw/zinc/38/44/87/989384487.db2.gz PXFRTQAWKVXXBZ-RYUDHWBXSA-N 1 0 241.379 2.028 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH+]1CCCCC1 ZINC001119804117 989411353 /nfs/dbraw/zinc/41/13/53/989411353.db2.gz HQPBDAVJXWBJTE-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cncc(C#N)c1)[C@@H]1CCCO1 ZINC001119813377 989421484 /nfs/dbraw/zinc/42/14/84/989421484.db2.gz VYJNBNVMTBEBOV-KGLIPLIRSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[N@H+](C[C@H](O)CC#N)[C@H]1CCCC[C@H]1C ZINC001119836166 989434324 /nfs/dbraw/zinc/43/43/24/989434324.db2.gz AUCGMPXJJTYPDY-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001519601135 989437941 /nfs/dbraw/zinc/43/79/41/989437941.db2.gz CAMHZWNHXXUQJC-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO N#C[C@@H]1CCCN(Cc2cccc3c[nH]nc32)C1 ZINC001119976670 989534380 /nfs/dbraw/zinc/53/43/80/989534380.db2.gz HCKRSYQNVSZPLX-NSHDSACASA-N 1 0 240.310 2.298 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccccc1CNC(=O)CC ZINC001326447686 989559222 /nfs/dbraw/zinc/55/92/22/989559222.db2.gz VMDKAUXRXXBWPW-UHFFFAOYSA-N 1 0 246.354 2.331 20 30 BEEDRO C#CCOCC[N@H+](C)CCCCC(C)(C)C#N ZINC001326464856 989569471 /nfs/dbraw/zinc/56/94/71/989569471.db2.gz FZTYMKKKOQPKGV-UHFFFAOYSA-N 1 0 236.359 2.288 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)o2)C1 ZINC001120038450 989569733 /nfs/dbraw/zinc/56/97/33/989569733.db2.gz UHCHTXREFWEXNG-LLVKDONJSA-N 1 0 237.299 2.065 20 30 BEEDRO C#CCC[N@@H+](CCCC(F)(F)F)CCOC ZINC001120043848 989577428 /nfs/dbraw/zinc/57/74/28/989577428.db2.gz SHIQEXRRPFOXPQ-UHFFFAOYSA-N 1 0 237.265 2.301 20 30 BEEDRO C=C(CC)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001520818391 989611096 /nfs/dbraw/zinc/61/10/96/989611096.db2.gz DTQOBGHMWOOPSP-DGCLKSJQSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(C)ccc1NC ZINC001120256135 989612007 /nfs/dbraw/zinc/61/20/07/989612007.db2.gz SRPSLPSBVIYCJR-CYBMUJFWSA-N 1 0 234.343 2.327 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC001120353788 989633756 /nfs/dbraw/zinc/63/37/56/989633756.db2.gz PDCUXUWWMNXWJW-MRXNPFEDSA-N 1 0 237.368 2.478 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)C=C1CCC1 ZINC001326698543 989656277 /nfs/dbraw/zinc/65/62/77/989656277.db2.gz LACCSSMYVCDBQQ-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(CC)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC001521287015 989665656 /nfs/dbraw/zinc/66/56/56/989665656.db2.gz PZSOZTDDPJDBEE-AWEZNQCLSA-N 1 0 244.338 2.256 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001521534185 989734417 /nfs/dbraw/zinc/73/44/17/989734417.db2.gz SOIHQVBGURCOSF-QWHCGFSZSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CC[C@@H](CO)CNC(=[NH2+])Nc1ccccc1C ZINC001326940205 989778010 /nfs/dbraw/zinc/77/80/10/989778010.db2.gz HFKXZZUHEUMVIU-GFCCVEGCSA-N 1 0 247.342 2.116 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001120605769 989778598 /nfs/dbraw/zinc/77/85/98/989778598.db2.gz YKABAAATVKQUFZ-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(CC)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001521733426 989784761 /nfs/dbraw/zinc/78/47/61/989784761.db2.gz UFFMHPYXTVHACI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](CC1CCC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001120609714 989785209 /nfs/dbraw/zinc/78/52/09/989785209.db2.gz IXZHQTXHBRPAPZ-DGCLKSJQSA-N 1 0 238.375 2.455 20 30 BEEDRO CCCCCCCCNC(=O)NCC1([NH3+])CC1 ZINC001120615179 989789968 /nfs/dbraw/zinc/78/99/68/989789968.db2.gz LOWGCIGGYOHLAG-UHFFFAOYSA-N 1 0 241.379 2.137 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1[C@H](C)CCC1(C)C ZINC001522418045 989849712 /nfs/dbraw/zinc/84/97/12/989849712.db2.gz OBICYTRBPXEXMH-VXGBXAGGSA-N 1 0 238.375 2.460 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1(C2CC2)CCC1 ZINC001522497233 989857666 /nfs/dbraw/zinc/85/76/66/989857666.db2.gz SWXKETVLBDNSHH-GFCCVEGCSA-N 1 0 236.359 2.119 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC12CCC2 ZINC001522756336 989872417 /nfs/dbraw/zinc/87/24/17/989872417.db2.gz GNAGGYLNAJMIMP-JTQLQIEISA-N 1 0 242.750 2.001 20 30 BEEDRO C=C1CCC(CNC(=O)C2=CCC[NH2+]CC2)CC1 ZINC001522874020 989881037 /nfs/dbraw/zinc/88/10/37/989881037.db2.gz VKRTUBDSXPNMLG-UHFFFAOYSA-N 1 0 248.370 2.159 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001523432988 989913757 /nfs/dbraw/zinc/91/37/57/989913757.db2.gz DOSFOBRZORHSKW-UKRRQHHQSA-N 1 0 244.338 2.084 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC001523580849 989938777 /nfs/dbraw/zinc/93/87/77/989938777.db2.gz KYCNNKAPFIQVGM-ZDUSSCGKSA-N 1 0 246.354 2.027 20 30 BEEDRO C#Cc1ccc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc1 ZINC001120944894 989980260 /nfs/dbraw/zinc/98/02/60/989980260.db2.gz BZKBEMDMTVVXSI-CYBMUJFWSA-N 1 0 243.354 2.348 20 30 BEEDRO CC[C@@H](F)C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC001524978026 990021173 /nfs/dbraw/zinc/02/11/73/990021173.db2.gz JSLTUKPFMZCELY-VXGBXAGGSA-N 1 0 243.322 2.011 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1CC ZINC001121850547 990100039 /nfs/dbraw/zinc/10/00/39/990100039.db2.gz COPIMFGAVKBTSA-NEPJUHHUSA-N 1 0 224.348 2.071 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@@H](C)CC ZINC001121876344 990107532 /nfs/dbraw/zinc/10/75/32/990107532.db2.gz ZVJQPKPYHSCCAO-RYUDHWBXSA-N 1 0 226.364 2.175 20 30 BEEDRO CC[NH2+]Cc1cccc(NC(=O)[C@@H](C)CC#N)c1 ZINC001121892084 990109503 /nfs/dbraw/zinc/10/95/03/990109503.db2.gz JPNJVJDLGLMUGY-NSHDSACASA-N 1 0 245.326 2.284 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001527845443 990246761 /nfs/dbraw/zinc/24/67/61/990246761.db2.gz ZRVSYSDTMCDCBB-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC12CCC2 ZINC001122169057 990274474 /nfs/dbraw/zinc/27/44/74/990274474.db2.gz JAQIAODZYVDNSX-GFCCVEGCSA-N 1 0 236.359 2.215 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC001122319884 990339181 /nfs/dbraw/zinc/33/91/81/990339181.db2.gz KXSGLHUNHMMZJM-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001122321851 990339740 /nfs/dbraw/zinc/33/97/40/990339740.db2.gz YNZXCXBXAICTLG-JHJVBQTASA-N 1 0 236.359 2.141 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC001122374428 990362189 /nfs/dbraw/zinc/36/21/89/990362189.db2.gz PJDKRUOAAWBIPR-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426536 990381378 /nfs/dbraw/zinc/38/13/78/990381378.db2.gz JEKYAAZHAASPRV-OLZOCXBDSA-N 1 0 248.370 2.141 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC001122426535 990382106 /nfs/dbraw/zinc/38/21/06/990382106.db2.gz JEKYAAZHAASPRV-CHWSQXEVSA-N 1 0 248.370 2.141 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)CC1CC1 ZINC001122546684 990410952 /nfs/dbraw/zinc/41/09/52/990410952.db2.gz UZLIAUIPDVREBC-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CC1CCCC1 ZINC001122845302 990451977 /nfs/dbraw/zinc/45/19/77/990451977.db2.gz NJKSMWZTVWBCKE-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1C ZINC001122929461 990465679 /nfs/dbraw/zinc/46/56/79/990465679.db2.gz MBOIJHZMGJLYNZ-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)c1ccc[nH]1 ZINC001123453222 990581740 /nfs/dbraw/zinc/58/17/40/990581740.db2.gz KGMNQVFXEGYTBW-UHFFFAOYSA-N 1 0 249.358 2.081 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@H](C)CC[NH+](C)C)c1 ZINC001540337272 990610194 /nfs/dbraw/zinc/61/01/94/990610194.db2.gz LRPAGNCFVHUJNO-GFCCVEGCSA-N 1 0 244.338 2.194 20 30 BEEDRO C=C(CC)C(=O)NCCC1CC[NH+](CC)CC1 ZINC001123610158 990626608 /nfs/dbraw/zinc/62/66/08/990626608.db2.gz NOUSKCINBYWMNJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001123630786 990631314 /nfs/dbraw/zinc/63/13/14/990631314.db2.gz MKCLMDBPGPKDCW-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)CC ZINC001123738915 990656846 /nfs/dbraw/zinc/65/68/46/990656846.db2.gz NUZDPOUTEKHGCC-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC001123796953 990670045 /nfs/dbraw/zinc/67/00/45/990670045.db2.gz VRZCAIAUEJZKFC-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO 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BEEDRO COC(=O)CC[C@@H](C)[NH2+]CCCCCCS ZINC001258360680 991300697 /nfs/dbraw/zinc/30/06/97/991300697.db2.gz FEJCZRXOVZIYFA-LLVKDONJSA-N 1 0 247.404 2.408 20 30 BEEDRO COC(=O)CC[C@@H](C)[NH2+]C1(CC#N)CCCC1 ZINC001258363290 991303200 /nfs/dbraw/zinc/30/32/00/991303200.db2.gz GCURNLIHENLXSA-LLVKDONJSA-N 1 0 238.331 2.144 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnccc2OCC)C1 ZINC001139629338 991303443 /nfs/dbraw/zinc/30/34/43/991303443.db2.gz PIHRGNUSTKQJQO-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@H](O)C2)c1 ZINC001139647329 991307466 /nfs/dbraw/zinc/30/74/66/991307466.db2.gz WIYWJFIRLNIAOS-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCC[C@@H](C)C1 ZINC001559900160 991313472 /nfs/dbraw/zinc/31/34/72/991313472.db2.gz WWGULDVZSSYRJR-MGPQQGTHSA-N 1 0 221.344 2.147 20 30 BEEDRO CCCC[N@H+](CCC#N)[C@H](C)CCC(=O)OC ZINC001258371964 991319423 /nfs/dbraw/zinc/31/94/23/991319423.db2.gz SMCSEJLQPRMBEZ-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO C=CCn1cc(C[NH+]2CCCCC2)cn1 ZINC001139765717 991354635 /nfs/dbraw/zinc/35/46/35/991354635.db2.gz DKLVEWAAEODJBJ-UHFFFAOYSA-N 1 0 205.305 2.055 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001560017822 991357116 /nfs/dbraw/zinc/35/71/16/991357116.db2.gz VQGXFLTYSAVLKU-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CCn1cc(C[N@@H+](C)[C@H](C)CC)cn1 ZINC001139767968 991359790 /nfs/dbraw/zinc/35/97/90/991359790.db2.gz GNRDYRBKXCTVGA-LLVKDONJSA-N 1 0 207.321 2.299 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCCC[C@@H]2C)cn1 ZINC001139766915 991360298 /nfs/dbraw/zinc/36/02/98/991360298.db2.gz YQEMMKGVTHRURY-LBPRGKRZSA-N 1 0 219.332 2.444 20 30 BEEDRO C=CCn1cc(C[N@@H+](C)C2CC(C)C2)cn1 ZINC001139766814 991362098 /nfs/dbraw/zinc/36/20/98/991362098.db2.gz VWROCTHRFGVUFO-UHFFFAOYSA-N 1 0 219.332 2.299 20 30 BEEDRO C=CCn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)cn1 ZINC001139771055 991363344 /nfs/dbraw/zinc/36/33/44/991363344.db2.gz MNGUJIZELUCCGQ-AVGNSLFASA-N 1 0 235.306 2.001 20 30 BEEDRO C=CCn1cc(C[NH+]2C3CCC2CC3)cn1 ZINC001139770501 991363557 /nfs/dbraw/zinc/36/35/57/991363557.db2.gz POSHVGCFTOACIS-UHFFFAOYSA-N 1 0 217.316 2.196 20 30 BEEDRO C=CCn1cc(C[N@H+](C)CC2CCC2)cn1 ZINC001139770489 991367039 /nfs/dbraw/zinc/36/70/39/991367039.db2.gz PEXCDNVVLUKSRN-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001316939221 991426996 /nfs/dbraw/zinc/42/69/96/991426996.db2.gz DTBZNJNFLLCFCD-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+](CCCNC(=O)c1ccco1)C1CC1 ZINC001316912214 991427930 /nfs/dbraw/zinc/42/79/30/991427930.db2.gz OKZJBVUWPOLVFN-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001317102851 991451316 /nfs/dbraw/zinc/45/13/16/991451316.db2.gz JYPINQGETYNBRB-WCKULRIQSA-N 1 0 248.370 2.156 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CCC(=O)OCC ZINC001258479537 991454504 /nfs/dbraw/zinc/45/45/04/991454504.db2.gz IDRKRYLNTIXZBB-WCQYABFASA-N 1 0 225.332 2.110 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC001560321193 991454458 /nfs/dbraw/zinc/45/44/58/991454458.db2.gz FIWYZZUQYAGYTH-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]CCCF ZINC001317243324 991458660 /nfs/dbraw/zinc/45/86/60/991458660.db2.gz YBGDFZXWASHUPJ-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H](C)CCC(=O)OCC ZINC001258496003 991464784 /nfs/dbraw/zinc/46/47/84/991464784.db2.gz OBXQRFCFCQKKHT-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)CCC ZINC001317229501 991467600 /nfs/dbraw/zinc/46/76/00/991467600.db2.gz FLSTYMOYZZTMDV-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C(F)=C1CCCC1 ZINC001317240875 991474161 /nfs/dbraw/zinc/47/41/61/991474161.db2.gz SCTPHQMQIFIYJD-SNVBAGLBSA-N 1 0 240.322 2.064 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)CC[C@@H](C)CC ZINC001317281071 991486730 /nfs/dbraw/zinc/48/67/30/991486730.db2.gz OEIUFKHXMZULBI-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001317295881 991486185 /nfs/dbraw/zinc/48/61/85/991486185.db2.gz BLLYSRNGFQMPRV-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[NH2+]CCCC)C1 ZINC001317312066 991490023 /nfs/dbraw/zinc/49/00/23/991490023.db2.gz DPUKEFRCPZDYNZ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1ccnc(NC)n1 ZINC001140047881 991498949 /nfs/dbraw/zinc/49/89/49/991498949.db2.gz VGCPBJRTCAYVSZ-UHFFFAOYSA-N 1 0 234.347 2.306 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[C@H](C)[NH2+]CCC)C1 ZINC001317406406 991500311 /nfs/dbraw/zinc/50/03/11/991500311.db2.gz UHYDHQUQKITHSD-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[N@H+](C)CCNC(=O)CC1CCC1 ZINC001317442270 991510866 /nfs/dbraw/zinc/51/08/66/991510866.db2.gz ZLDIJXQMCBQEKI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[N@H+](C)CCNC(=O)CC(C)(C)C ZINC001317440072 991513706 /nfs/dbraw/zinc/51/37/06/991513706.db2.gz VDXSQYPLJAUOCT-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)Cc1cccnc1 ZINC001258610708 991532365 /nfs/dbraw/zinc/53/23/65/991532365.db2.gz VPVOZFBSVCBEQO-NSHDSACASA-N 1 0 202.301 2.014 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)CC[C@@H](C)CC ZINC001317466544 991532916 /nfs/dbraw/zinc/53/29/16/991532916.db2.gz WKIWMEYCEDINKJ-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)[C@@H](C)C(C)C ZINC001317486729 991533464 /nfs/dbraw/zinc/53/34/64/991533464.db2.gz GWXXTORTFDFRLP-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H](O)C2)c(F)c1 ZINC001140136294 991539091 /nfs/dbraw/zinc/53/90/91/991539091.db2.gz SZBQWSKPKIIJOG-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)Cc1cccnc1 ZINC001258614633 991539532 /nfs/dbraw/zinc/53/95/32/991539532.db2.gz SGBDPNHFKCXTSO-TZMCWYRMSA-N 1 0 216.328 2.404 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)CC)c1ccccc1 ZINC001317714215 991576034 /nfs/dbraw/zinc/57/60/34/991576034.db2.gz NUPFDWLXPUWRAA-CQSZACIVSA-N 1 0 246.354 2.420 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@@H]2CCCC[C@@H]21)[C@@H]1CCCO1 ZINC001560771718 991593185 /nfs/dbraw/zinc/59/31/85/991593185.db2.gz DMZSRGZODCGPEH-YTFOTSKYSA-N 1 0 233.355 2.336 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccccc1NC ZINC001560793102 991602288 /nfs/dbraw/zinc/60/22/88/991602288.db2.gz FQRPVZQHYUBXRB-NSHDSACASA-N 1 0 202.301 2.182 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001560838349 991618710 /nfs/dbraw/zinc/61/87/10/991618710.db2.gz QJSZQYVFPDQPBO-WJTVCTBASA-N 1 0 207.317 2.108 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC1 ZINC001318185596 991634228 /nfs/dbraw/zinc/63/42/28/991634228.db2.gz ZLJDLGJEQPKCSV-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001258700178 991634853 /nfs/dbraw/zinc/63/48/53/991634853.db2.gz JUFLYKFUFUNERX-HUUCEWRRSA-N 1 0 248.414 2.452 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CC(=O)OCC ZINC001258717959 991639615 /nfs/dbraw/zinc/63/96/15/991639615.db2.gz AMCGXLJXJASHQE-GHMZBOCLSA-N 1 0 213.321 2.272 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CC(O)(C(F)(F)F)C1 ZINC001258718855 991642665 /nfs/dbraw/zinc/64/26/65/991642665.db2.gz WYGDKGOIPZAWQM-XNWIYYODSA-N 1 0 237.265 2.387 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1(C(N)=O)CCCCC1 ZINC001258717847 991644703 /nfs/dbraw/zinc/64/47/03/991644703.db2.gz WGYPKPCPBSPHTO-NSHDSACASA-N 1 0 224.348 2.119 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(C(=O)OC)CCC1 ZINC001258717858 991645272 /nfs/dbraw/zinc/64/52/72/991645272.db2.gz WQELZVWUIYWKSO-LLVKDONJSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC001258718061 991646691 /nfs/dbraw/zinc/64/66/91/991646691.db2.gz FACPXVLGXSITHM-SMDDNHRTSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCC(OC)OC ZINC001258721575 991651590 /nfs/dbraw/zinc/65/15/90/991651590.db2.gz ZTKREVXOHXFWBJ-LLVKDONJSA-N 1 0 215.337 2.330 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC)C1 ZINC001318377064 991654756 /nfs/dbraw/zinc/65/47/56/991654756.db2.gz 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/nfs/dbraw/zinc/68/37/26/991683726.db2.gz XMDKSLURFFDSAL-GFCCVEGCSA-N 1 0 240.366 2.459 20 30 BEEDRO C=CCC[C@@H](C)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001258735448 991683834 /nfs/dbraw/zinc/68/38/34/991683834.db2.gz UVRDINSBTURQQH-NEPJUHHUSA-N 1 0 246.358 2.314 20 30 BEEDRO C=CCC[C@@H](C)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001258735451 991683915 /nfs/dbraw/zinc/68/39/15/991683915.db2.gz UVRDINSBTURQQH-VXGBXAGGSA-N 1 0 246.358 2.314 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001258735789 991684176 /nfs/dbraw/zinc/68/41/76/991684176.db2.gz BZFKAAHFCAMPQJ-LBPRGKRZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001258735970 991685737 /nfs/dbraw/zinc/68/57/37/991685737.db2.gz GZVOXECAGSRDEM-MCIONIFRSA-N 1 0 222.376 2.225 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCN(CC)C[C@H]1C ZINC001258736596 991690695 /nfs/dbraw/zinc/69/06/95/991690695.db2.gz XEQYXIPJKCWQRX-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)c1ccc[nH]1 ZINC001567948721 991693341 /nfs/dbraw/zinc/69/33/41/991693341.db2.gz LXWFRBUOXGTXEZ-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]CCNc1ncccc1C#N ZINC001561057413 991712635 /nfs/dbraw/zinc/71/26/35/991712635.db2.gz OIHLTFODHBJSTN-NEPJUHHUSA-N 1 0 246.358 2.389 20 30 BEEDRO CCC[NH+]1CCC(N[C@@](C)(C#N)C(C)C)CC1 ZINC001258766034 991726105 /nfs/dbraw/zinc/72/61/05/991726105.db2.gz JPSWWZQGBIKDDJ-AWEZNQCLSA-N 1 0 237.391 2.389 20 30 BEEDRO CCC[NH+]1CCC(N[C@@H](C#N)CC(C)C)CC1 ZINC001258769159 991734020 /nfs/dbraw/zinc/73/40/20/991734020.db2.gz CZKSOHHULRHORC-CQSZACIVSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC1CCC1 ZINC001568265256 991742246 /nfs/dbraw/zinc/74/22/46/991742246.db2.gz WOUWTQDTDRUXGL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]CCNc1ncccc1C#N ZINC001319060370 991776613 /nfs/dbraw/zinc/77/66/13/991776613.db2.gz DBXZPJSDVXTOQP-AAEUAGOBSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]CCNc1ncccc1C#N ZINC001319060372 991776966 /nfs/dbraw/zinc/77/69/66/991776966.db2.gz DBXZPJSDVXTOQP-WCQYABFASA-N 1 0 244.342 2.143 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](CC)C[C@H](C)CC)CC1 ZINC001258796448 991787237 /nfs/dbraw/zinc/78/72/37/991787237.db2.gz CALDWDIWMCKSOT-CABCVRRESA-N 1 0 236.403 2.452 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC(C)(C)C ZINC001319155248 991802127 /nfs/dbraw/zinc/80/21/27/991802127.db2.gz GMCAHACOOQXQDF-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258807786 991812005 /nfs/dbraw/zinc/81/20/05/991812005.db2.gz VBNUKGBHWNINJN-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC001258807788 991812065 /nfs/dbraw/zinc/81/20/65/991812065.db2.gz VBNUKGBHWNINJN-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H]1CCC[C@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001258814676 991826524 /nfs/dbraw/zinc/82/65/24/991826524.db2.gz XDDTVDCOKLUGMN-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO Cc1c[nH]c(=O)c(C[NH2+]C2CCC(C#N)CC2)c1 ZINC001474737089 991828778 /nfs/dbraw/zinc/82/87/78/991828778.db2.gz MTEJUJYGBKWZST-UHFFFAOYSA-N 1 0 245.326 2.268 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC(C)(C)C ZINC001319426108 991858851 /nfs/dbraw/zinc/85/88/51/991858851.db2.gz WCMZKTZZWZCMPP-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(F)F ZINC001319412779 991860503 /nfs/dbraw/zinc/86/05/03/991860503.db2.gz RNLRMUXRLZYWSZ-VHSXEESVSA-N 1 0 248.317 2.043 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)F ZINC001319415702 991861507 /nfs/dbraw/zinc/86/15/07/991861507.db2.gz CXOUZZLQRZYZJP-NSHDSACASA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC1(C)C ZINC001319443748 991869485 /nfs/dbraw/zinc/86/94/85/991869485.db2.gz RCRSZWPBTQAUQU-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCN(CC1CC1)Cn1ncc(Cl)c1C ZINC001319456877 991871691 /nfs/dbraw/zinc/87/16/91/991871691.db2.gz GWRRVXQJWJGQGA-UHFFFAOYSA-N 1 0 237.734 2.148 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H](C)C[NH2+]CCCF ZINC001319466875 991875397 /nfs/dbraw/zinc/87/53/97/991875397.db2.gz QAKAXVHPMPAWFE-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001566802874 991880547 /nfs/dbraw/zinc/88/05/47/991880547.db2.gz HMJDCAGHQHSMNJ-OBJOEFQTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](F)CC ZINC001319512402 991880828 /nfs/dbraw/zinc/88/08/28/991880828.db2.gz YFRRFPHAKAKMFE-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001566831850 991881972 /nfs/dbraw/zinc/88/19/72/991881972.db2.gz GTJSBOSBVCQFGU-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO COc1ccccc1C[C@@H](C)[NH+]1CC(CC#N)C1 ZINC001258886443 991888980 /nfs/dbraw/zinc/88/89/80/991888980.db2.gz LKGULAVNCFTARA-GFCCVEGCSA-N 1 0 244.338 2.472 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC001319550850 991890602 /nfs/dbraw/zinc/89/06/02/991890602.db2.gz AOLWWOYRKLYJEL-CYBMUJFWSA-N 1 0 242.322 2.201 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)/C(C)=C\C ZINC001566936128 991892108 /nfs/dbraw/zinc/89/21/08/991892108.db2.gz JJCJNAQYCBXOIZ-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)c1ccc[nH]1 ZINC001566995130 991898941 /nfs/dbraw/zinc/89/89/41/991898941.db2.gz CGGKHYUUYDOICB-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)C(C)(C)C ZINC001567028814 991916094 /nfs/dbraw/zinc/91/60/94/991916094.db2.gz NQMCSWBWMLNXIW-VXGBXAGGSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)CC ZINC001567048706 991926276 /nfs/dbraw/zinc/92/62/76/991926276.db2.gz ATPASBSLBCDJEU-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([NH2+]CCCC)C1 ZINC001567096500 991944153 /nfs/dbraw/zinc/94/41/53/991944153.db2.gz FYFMVBVEDWXPMQ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001567117764 991950421 /nfs/dbraw/zinc/95/04/21/991950421.db2.gz GDYIEFVKKGVGSK-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C(C)C ZINC001319725417 991956576 /nfs/dbraw/zinc/95/65/76/991956576.db2.gz BLHVHORUGYZSKN-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CCC ZINC001567206241 991960824 /nfs/dbraw/zinc/96/08/24/991960824.db2.gz QOIHVKKHBBMHMU-JTQLQIEISA-N 1 0 232.755 2.023 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)CCC ZINC001567208340 991961302 /nfs/dbraw/zinc/96/13/02/991961302.db2.gz LYBDKNBNVAMSAV-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CCC(=O)NCC[C@@H](C)[NH2+]CCC ZINC001567217470 991962071 /nfs/dbraw/zinc/96/20/71/991962071.db2.gz OXKBXCDCYUTRTG-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[C@@H](C)[NH2+]CCC ZINC001567224732 991965013 /nfs/dbraw/zinc/96/50/13/991965013.db2.gz GWQRXTNBWDQPLH-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC)C1 ZINC001319790796 991977934 /nfs/dbraw/zinc/97/79/34/991977934.db2.gz 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AKBVOKYLCNZLQU-ZIAGYGMSSA-N 1 0 247.342 2.114 20 30 BEEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/CC ZINC001567852114 992111392 /nfs/dbraw/zinc/11/13/92/992111392.db2.gz SVZPLBKIOZPKLK-DUYRLRNSSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)CCC=C ZINC001568134656 992130892 /nfs/dbraw/zinc/13/08/92/992130892.db2.gz DSNDHLCFWKSDIG-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCc1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC001320213772 992136203 /nfs/dbraw/zinc/13/62/03/992136203.db2.gz VKGJVMRMKZSQOV-LBPRGKRZSA-N 1 0 247.342 2.388 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1c(C)c(C)n[nH]c1=O ZINC001320253135 992146510 /nfs/dbraw/zinc/14/65/10/992146510.db2.gz REAPDXXZVYZMEC-VIFPVBQESA-N 1 0 235.331 2.243 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CC)C[C@H]1C ZINC001568348756 992163278 /nfs/dbraw/zinc/16/32/78/992163278.db2.gz JETILYMQDLDCRI-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CC)[C@@H](C)C1 ZINC001568357431 992165244 /nfs/dbraw/zinc/16/52/44/992165244.db2.gz HLTNUQKZHSEASC-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C)C(=O)C1CCCC1 ZINC001568471216 992171574 /nfs/dbraw/zinc/17/15/74/992171574.db2.gz CSURJKOPPQRQEO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC(C)C ZINC001320333244 992174808 /nfs/dbraw/zinc/17/48/08/992174808.db2.gz PDLIZXUKKHSSSA-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)C=C(C)C ZINC001320336160 992176411 /nfs/dbraw/zinc/17/64/11/992176411.db2.gz YCEUHXRCUWPAHG-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[N@@H+](C)CC(C)C ZINC001568484078 992177064 /nfs/dbraw/zinc/17/70/64/992177064.db2.gz ILENJNZYSADWON-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1=CCCC1 ZINC001568525074 992182247 /nfs/dbraw/zinc/18/22/47/992182247.db2.gz LUBNITRRERUMBD-UONOGXRCSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC1CCC1 ZINC001568617339 992198579 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992238620 /nfs/dbraw/zinc/23/86/20/992238620.db2.gz OFBIEOZAPCCXMN-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C(C)=C1CCCC1 ZINC001568987907 992259027 /nfs/dbraw/zinc/25/90/27/992259027.db2.gz VSBCQHLDLLHUET-LLVKDONJSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001569002700 992262767 /nfs/dbraw/zinc/26/27/67/992262767.db2.gz JSEZLGGOIINQKS-NEPJUHHUSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)C[NH2+]CCCC ZINC001568996689 992263601 /nfs/dbraw/zinc/26/36/01/992263601.db2.gz OKBDZUOOVFFDDN-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[C@H](C)CC1 ZINC001569031774 992271824 /nfs/dbraw/zinc/27/18/24/992271824.db2.gz WRFWFCSLSGGION-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(F)F ZINC001569042084 992276726 /nfs/dbraw/zinc/27/67/26/992276726.db2.gz MTXQNBKXRIBAOL-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)/C(C)=C\CC ZINC001569047515 992282827 /nfs/dbraw/zinc/28/28/27/992282827.db2.gz NDPRFBXXFJPSPN-SUIFULHWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)C1=CCCC1 ZINC001569052373 992289042 /nfs/dbraw/zinc/28/90/42/992289042.db2.gz QIKGENYHKRVUAK-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)=C1CCC1 ZINC001569056152 992291529 /nfs/dbraw/zinc/29/15/29/992291529.db2.gz QLDABKKFRMEZOS-NSHDSACASA-N 1 0 236.359 2.157 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NOC(C)(C)C ZINC001320649734 992295611 /nfs/dbraw/zinc/29/56/11/992295611.db2.gz SOSNVMXRAHDJGS-UHFFFAOYSA-N 1 0 221.304 2.297 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C1CCCC1 ZINC001569102227 992299148 /nfs/dbraw/zinc/29/91/48/992299148.db2.gz OVSBBCDIPQXZFG-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001320678228 992308426 /nfs/dbraw/zinc/30/84/26/992308426.db2.gz SIUGRSGLNRHWDW-UHFFFAOYSA-N 1 0 243.310 2.135 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+](C)C[C@@H](F)CC ZINC001569108751 992319153 /nfs/dbraw/zinc/31/91/53/992319153.db2.gz MAXNGMIDOIMFOL-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)CCN1CC[NH+](C(C)(C)C)CC1 ZINC001320713035 992330795 /nfs/dbraw/zinc/33/07/95/992330795.db2.gz VMPDWQVBTPTSIY-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC(C)(F)F ZINC001569138016 992332403 /nfs/dbraw/zinc/33/24/03/992332403.db2.gz MJSPJLZEAHZHGJ-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)C1CC(C)(C)C1 ZINC001320725794 992334819 /nfs/dbraw/zinc/33/48/19/992334819.db2.gz VHYNACIQGHJJPO-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)CCC[NH2+]C(C)C ZINC001569235968 992347939 /nfs/dbraw/zinc/34/79/39/992347939.db2.gz JRIBUVGYOQBLNO-AWEZNQCLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](COC)CC(C)(C)C ZINC001261513184 992356772 /nfs/dbraw/zinc/35/67/72/992356772.db2.gz MGGQAAFZLNYRBF-RYUDHWBXSA-N 1 0 229.364 2.228 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001569376188 992376328 /nfs/dbraw/zinc/37/63/28/992376328.db2.gz GQACTSGWLFLVQI-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C=C(CC)CC)CC1 ZINC001569397016 992383602 /nfs/dbraw/zinc/38/36/02/992383602.db2.gz ZLMBUEKJAVRAAX-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC001569537066 992404162 /nfs/dbraw/zinc/40/41/62/992404162.db2.gz NITCMEKCUSGGOT-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cc(C)sc1C ZINC001320948111 992412543 /nfs/dbraw/zinc/41/25/43/992412543.db2.gz ZHWKDKMOZAZFII-UHFFFAOYSA-N 1 0 237.368 2.447 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)CC)C1 ZINC001569629815 992412852 /nfs/dbraw/zinc/41/28/52/992412852.db2.gz OSESAORXRNEMQA-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)CC)C1 ZINC001569629814 992414919 /nfs/dbraw/zinc/41/49/19/992414919.db2.gz OSESAORXRNEMQA-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)c1ccoc1 ZINC001320969661 992419542 /nfs/dbraw/zinc/41/95/42/992419542.db2.gz JMGHOWFWFNEWNS-ONEGZZNKSA-N 1 0 248.326 2.121 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NCC[C@H](C)[NH2+]C ZINC001261632222 992425410 /nfs/dbraw/zinc/42/54/10/992425410.db2.gz TZEWTOVDMSHFAL-NSHDSACASA-N 1 0 241.379 2.028 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C ZINC001261637699 992430787 /nfs/dbraw/zinc/43/07/87/992430787.db2.gz CQDGGAAHXRQTPS-KGLIPLIRSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC001321069535 992445778 /nfs/dbraw/zinc/44/57/78/992445778.db2.gz HBKAEZXRCKGORB-CQSZACIVSA-N 1 0 232.327 2.167 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[C@H](C)[NH2+]CCC ZINC001570467148 992472418 /nfs/dbraw/zinc/47/24/18/992472418.db2.gz VRVVZODGKUDXQN-JSGCOSHPSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[C@H](C)[NH2+]CC ZINC001570467137 992474854 /nfs/dbraw/zinc/47/48/54/992474854.db2.gz UYVJITTWTJQSJZ-AAEUAGOBSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccsc1 ZINC001570586917 992484785 /nfs/dbraw/zinc/48/47/85/992484785.db2.gz FCYGTWTWGVQHIV-VHSXEESVSA-N 1 0 238.356 2.031 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccsc1 ZINC001570586916 992486481 /nfs/dbraw/zinc/48/64/81/992486481.db2.gz FCYGTWTWGVQHIV-UWVGGRQHSA-N 1 0 238.356 2.031 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccsc1 ZINC001570586918 992486635 /nfs/dbraw/zinc/48/66/35/992486635.db2.gz FCYGTWTWGVQHIV-ZJUUUORDSA-N 1 0 238.356 2.031 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC)CCC1 ZINC001570630902 992490969 /nfs/dbraw/zinc/49/09/69/992490969.db2.gz NFADTSNGGMIQQT-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C)CCC1 ZINC001570628201 992492946 /nfs/dbraw/zinc/49/29/46/992492946.db2.gz RFWAIOJRRGKMOB-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C1(CC=C)CCC1 ZINC001321232910 992496398 /nfs/dbraw/zinc/49/63/98/992496398.db2.gz NGSKMPYNIQIWHT-AATRIKPKSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC001321241827 992501343 /nfs/dbraw/zinc/50/13/43/992501343.db2.gz SGBJEMOMNXOCAF-SMDDNHRTSA-N 1 0 235.327 2.031 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001261780994 992504703 /nfs/dbraw/zinc/50/47/03/992504703.db2.gz FGCWFQLUDPBQEI-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC1(C)C ZINC001570705846 992509399 /nfs/dbraw/zinc/50/93/99/992509399.db2.gz CACWLRYYEHVKRU-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH+]1CC([C@H](C)NC(=O)C=C2CCC2)C1 ZINC001570836640 992524913 /nfs/dbraw/zinc/52/49/13/992524913.db2.gz CTRIKJUFRLRPNE-LBPRGKRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(C#N)cs1 ZINC001261830279 992526848 /nfs/dbraw/zinc/52/68/48/992526848.db2.gz QQCJZIZASQQKTK-GFCCVEGCSA-N 1 0 248.351 2.138 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CCC ZINC001571375383 992542174 /nfs/dbraw/zinc/54/21/74/992542174.db2.gz UVMHPAVZOUUYAS-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)CC ZINC001571383718 992548025 /nfs/dbraw/zinc/54/80/25/992548025.db2.gz ABYPOVRUGREUKR-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)/C=C(\C)CC ZINC001571385074 992548203 /nfs/dbraw/zinc/54/82/03/992548203.db2.gz BADAMADYQANKLN-RSKUSDAESA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C2CC=CC2)[C@@H]1C ZINC001571452177 992564838 /nfs/dbraw/zinc/56/48/38/992564838.db2.gz IMXAEJUGKVBLDT-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC)[C@@H]1C ZINC001571513790 992565568 /nfs/dbraw/zinc/56/55/68/992565568.db2.gz XAJMZOFMGAGTGH-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC001571470194 992568633 /nfs/dbraw/zinc/56/86/33/992568633.db2.gz APPHWFAKCDBSNM-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC001571563782 992570754 /nfs/dbraw/zinc/57/07/54/992570754.db2.gz QILYNABWZYASJW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)CCCF)C(C)(C)C ZINC001571630703 992575628 /nfs/dbraw/zinc/57/56/28/992575628.db2.gz LJOUPKMXYHUPQP-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC001262203152 992799410 /nfs/dbraw/zinc/79/94/10/992799410.db2.gz MMZSQHFCCXSJFZ-WDEREUQCSA-N 1 0 249.310 2.267 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC001262332833 992840808 /nfs/dbraw/zinc/84/08/08/992840808.db2.gz MOMCGIKGZMRAIN-VXGBXAGGSA-N 1 0 236.340 2.229 20 30 BEEDRO N#CC1(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC001262335461 992842415 /nfs/dbraw/zinc/84/24/15/992842415.db2.gz CECVEXIXMDPISB-KBPBESRZSA-N 1 0 248.370 2.429 20 30 BEEDRO C=C[C@@H](COC)[NH2+]CCc1ccc(F)c(F)c1 ZINC001262364975 992859744 /nfs/dbraw/zinc/85/97/44/992859744.db2.gz NPMKJPLFKURVMP-NSHDSACASA-N 1 0 241.281 2.298 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CCCC(F)(F)F ZINC001262373603 992867079 /nfs/dbraw/zinc/86/70/79/992867079.db2.gz FNFJZKKKLYIVQU-JTQLQIEISA-N 1 0 237.265 2.347 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(N)cc1)C(C)(C)C ZINC001574505002 992873045 /nfs/dbraw/zinc/87/30/45/992873045.db2.gz OAOIUYLYGCPNPP-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO C#CCCN1c2ccccc2[C@H]([NH3+])C1(C)C ZINC001574584071 992878863 /nfs/dbraw/zinc/87/88/63/992878863.db2.gz VIWOLDMGNFVDLR-ZDUSSCGKSA-N 1 0 214.312 2.308 20 30 BEEDRO C#Cc1ccc(CN2CC[NH2+][C@@H](C(C)C)C2)cc1 ZINC001574756962 992898972 /nfs/dbraw/zinc/89/89/72/992898972.db2.gz IOERTGNDBABRQC-MRXNPFEDSA-N 1 0 242.366 2.098 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CC(C)(C)C ZINC001574851520 992928255 /nfs/dbraw/zinc/92/82/55/992928255.db2.gz GZMWWYKRFDECDP-ZJUUUORDSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(C)CN1CCCC[C@]12CCC[NH2+]C2 ZINC001574836318 992923478 /nfs/dbraw/zinc/92/34/78/992923478.db2.gz MJFSYWNQUFCYKT-CYBMUJFWSA-N 1 0 208.349 2.171 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001574831515 992925873 /nfs/dbraw/zinc/92/58/73/992925873.db2.gz SHGGROIARUZZFU-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCC1(C(=O)N(CC)CC[NH3+])CCCCC1 ZINC001574889737 992938829 /nfs/dbraw/zinc/93/88/29/992938829.db2.gz QBZDOGXJJWRTSZ-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCCCCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC001574907397 992941147 /nfs/dbraw/zinc/94/11/47/992941147.db2.gz KTPZUTLJZRPXII-LBPRGKRZSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C=C ZINC001574903840 992941761 /nfs/dbraw/zinc/94/17/61/992941761.db2.gz XFIAAGCWTAQOSF-STQMWFEESA-N 1 0 236.359 2.237 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@H](C)[NH2+]CCC ZINC001574901866 992941979 /nfs/dbraw/zinc/94/19/79/992941979.db2.gz VMHLTTMIJGMRPL-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC001574901631 992943121 /nfs/dbraw/zinc/94/31/21/992943121.db2.gz ORAFOSKWRSGYFZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCO[C@H](C)C(=O)Oc1cccc(C[NH3+])c1 ZINC001574913332 992944868 /nfs/dbraw/zinc/94/48/68/992944868.db2.gz MYZOTHXGVXBMBG-LLVKDONJSA-N 1 0 249.310 2.032 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@]12C[C@H]1C[NH2+]C2 ZINC001574933550 992946149 /nfs/dbraw/zinc/94/61/49/992946149.db2.gz WJMRKAKAQWRWBU-GXTWGEPZSA-N 1 0 248.395 2.346 20 30 BEEDRO CC#CC[C@@H]([NH3+])C(=O)Nc1cccc(C(C)C)c1 ZINC001574969788 992953568 /nfs/dbraw/zinc/95/35/68/992953568.db2.gz MOMTYWVCHFIJLR-CQSZACIVSA-N 1 0 244.338 2.489 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CCC ZINC001262646964 992996677 /nfs/dbraw/zinc/99/66/77/992996677.db2.gz RFTKRAYRMCLADU-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC001263168974 993145749 /nfs/dbraw/zinc/14/57/49/993145749.db2.gz BBGXYBYBTYNJEP-ZDUSSCGKSA-N 1 0 248.326 2.323 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCCCC1CC1 ZINC001263174493 993148904 /nfs/dbraw/zinc/14/89/04/993148904.db2.gz BBTRHUJGMOIIAM-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1csc(C#N)c1 ZINC001576117731 993187464 /nfs/dbraw/zinc/18/74/64/993187464.db2.gz UGPDOWOMTIFCCW-ZWNOBZJWSA-N 1 0 249.383 2.321 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@](C)([NH3+])CCC ZINC001263256128 993190511 /nfs/dbraw/zinc/19/05/11/993190511.db2.gz QAAKUDATYWDMPY-CYBMUJFWSA-N 1 0 226.364 2.319 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]([NH3+])[C@H](C)CC ZINC001263255585 993191108 /nfs/dbraw/zinc/19/11/08/993191108.db2.gz DVIRHQFVRCQSNZ-NEPJUHHUSA-N 1 0 226.364 2.175 20 30 BEEDRO C[C@@H](SC1C[NH2+]C1)c1cccc(C#N)c1 ZINC001576295942 993257373 /nfs/dbraw/zinc/25/73/73/993257373.db2.gz XKYAAHAJWIMARQ-SECBINFHSA-N 1 0 218.325 2.324 20 30 BEEDRO C[C@H](SC1C[NH2+]C1)c1cccc(C#N)c1 ZINC001576295944 993259178 /nfs/dbraw/zinc/25/91/78/993259178.db2.gz XKYAAHAJWIMARQ-VIFPVBQESA-N 1 0 218.325 2.324 20 30 BEEDRO Cc1ccc(C[C@@H](C)[NH2+]CCC#N)cc1 ZINC000380115564 993313623 /nfs/dbraw/zinc/31/36/23/993313623.db2.gz PINXMEKQLWRAID-GFCCVEGCSA-N 1 0 202.301 2.429 20 30 BEEDRO C=CC(C)(C)CC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC001263528882 993358590 /nfs/dbraw/zinc/35/85/90/993358590.db2.gz QINFVWYBDVXQMP-LBPRGKRZSA-N 1 0 239.359 2.474 20 30 BEEDRO C[C@H]1C[C@H]([NH3+])CN1Cc1ccc(Cl)cc1C#N ZINC001576611791 993366673 /nfs/dbraw/zinc/36/66/73/993366673.db2.gz NDEQXEXWWCYODT-ZANVPECISA-N 1 0 249.745 2.133 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000381282808 993383809 /nfs/dbraw/zinc/38/38/09/993383809.db2.gz YRODCBCBADNLCZ-RQJABVFESA-N 1 0 223.360 2.175 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1C ZINC000381515502 993403151 /nfs/dbraw/zinc/40/31/51/993403151.db2.gz SERRACZLVZWRHO-GHMZBOCLSA-N 1 0 219.332 2.181 20 30 BEEDRO CCCCCCCCN1CC(C[NH2+]C)C1 ZINC000382286935 993447011 /nfs/dbraw/zinc/44/70/11/993447011.db2.gz LRFPZSZREKGMMF-UHFFFAOYSA-N 1 0 212.381 2.498 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC001263726772 993480953 /nfs/dbraw/zinc/48/09/53/993480953.db2.gz RODKJXDORTXKSK-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000383766720 993517415 /nfs/dbraw/zinc/51/74/15/993517415.db2.gz MNAVZKDCIDUEHX-OLZOCXBDSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001263827651 993540545 /nfs/dbraw/zinc/54/05/45/993540545.db2.gz LGQZCAWVXFJBOR-BETUJISGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCC(C)C)C1 ZINC001263854103 993559352 /nfs/dbraw/zinc/55/93/52/993559352.db2.gz RTLJGYJFFRSYCE-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000384233285 993562611 /nfs/dbraw/zinc/56/26/11/993562611.db2.gz YETHYVQLILDKDA-LSDHHAIUSA-N 1 0 247.338 2.120 20 30 BEEDRO C=C(CC)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC001263867780 993566301 /nfs/dbraw/zinc/56/63/01/993566301.db2.gz KQUDRLFKATVLPF-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO CCCCCCCCNC(=O)[C@H]1CC12C[NH2+]C2 ZINC001577430103 993664311 /nfs/dbraw/zinc/66/43/11/993664311.db2.gz OABOKEIZFYFCMP-GFCCVEGCSA-N 1 0 238.375 2.073 20 30 BEEDRO CCCCN(O)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001577457589 993666913 /nfs/dbraw/zinc/66/69/13/993666913.db2.gz BJLAWFBJVFDPMV-CYBMUJFWSA-N 1 0 248.326 2.239 20 30 BEEDRO CCCCN(O)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC001577457590 993667060 /nfs/dbraw/zinc/66/70/60/993667060.db2.gz BJLAWFBJVFDPMV-ZDUSSCGKSA-N 1 0 248.326 2.239 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)[C@H]1C ZINC001264156223 993671641 /nfs/dbraw/zinc/67/16/41/993671641.db2.gz PPRGGEQQPGQMSJ-NMEJBFKPSA-N 1 0 248.370 2.274 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001264451736 993727246 /nfs/dbraw/zinc/72/72/46/993727246.db2.gz OBZASUJKTQDRNI-RWMBFGLXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C(CC)CC)C1 ZINC001264770425 993746065 /nfs/dbraw/zinc/74/60/65/993746065.db2.gz XUKDVRRRGJKBIF-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000390613050 993800680 /nfs/dbraw/zinc/80/06/80/993800680.db2.gz FRJALCCTOPMHJC-ZOBORPQBSA-N 1 0 223.360 2.175 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)CCC(F)F ZINC001265012934 993807635 /nfs/dbraw/zinc/80/76/35/993807635.db2.gz VYLSRJQTLJVYCD-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)c1ccc(C)cc1 ZINC001265062477 993814349 /nfs/dbraw/zinc/81/43/49/993814349.db2.gz PULYROOLAWEROO-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2=CCCC2)C1 ZINC001265473689 993863868 /nfs/dbraw/zinc/86/38/68/993863868.db2.gz AEZJTEWCHLROIG-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)CCCC)C1 ZINC001265476151 993865059 /nfs/dbraw/zinc/86/50/59/993865059.db2.gz YPOIVHAYRVHNKV-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)CCC)C1 ZINC001265531763 993874914 /nfs/dbraw/zinc/87/49/14/993874914.db2.gz UZSYWUCEXCQKEK-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1CNC(=O)CC(C)C ZINC001265638955 993887902 /nfs/dbraw/zinc/88/79/02/993887902.db2.gz MFLIIUGUWNJXRS-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2C)cc1C#N ZINC000701827936 993913236 /nfs/dbraw/zinc/91/32/36/993913236.db2.gz SMAQSINVSQSDCV-JSGCOSHPSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C1CCCCC1 ZINC001265749120 993923608 /nfs/dbraw/zinc/92/36/08/993923608.db2.gz YLWXWHYXXDDHCU-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C1CC1 ZINC001265762922 993933181 /nfs/dbraw/zinc/93/31/81/993933181.db2.gz DTHHQGSDYBYZJP-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C1CC(C)C1 ZINC001265766810 993937921 /nfs/dbraw/zinc/93/79/21/993937921.db2.gz POKGXEYRVDEKLZ-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)C=C1CCC1 ZINC001265766074 993938221 /nfs/dbraw/zinc/93/82/21/993938221.db2.gz CACDTMCKJVMOJK-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[C@H](C)CC ZINC001265843848 993954444 /nfs/dbraw/zinc/95/44/44/993954444.db2.gz ODSWCQCQXGAPGS-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 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C#C[C@H]([NH2+][C@H]1CC[C@@H]2CCC[C@@H]21)[C@H]1CCCO1 ZINC001621270348 1170757644 /nfs/dbraw/zinc/75/76/44/1170757644.db2.gz SKDCWWZFELBARP-YYFQZIEXSA-N 1 0 233.355 2.336 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC001621504156 1170831540 /nfs/dbraw/zinc/83/15/40/1170831540.db2.gz UWUIWNWJAZKHJO-IUODEOHRSA-N 1 0 249.329 2.293 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(C)C)C1 ZINC001621521719 1170833697 /nfs/dbraw/zinc/83/36/97/1170833697.db2.gz IMFUTNKVLXRSDN-ARFHVFGLSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC001621521660 1170834326 /nfs/dbraw/zinc/83/43/26/1170834326.db2.gz GVILHDYHGPAGJM-FXUDXRNXSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2c(c1)C[C@H](C)O2 ZINC001621549444 1170842805 /nfs/dbraw/zinc/84/28/05/1170842805.db2.gz QZGFRWUUVGEFGS-NSHDSACASA-N 1 0 215.296 2.075 20 30 BEEDRO N#CC1CCC([NH2+]CCC2CSC2)CC1 ZINC001621570413 1170856944 /nfs/dbraw/zinc/85/69/44/1170856944.db2.gz UCSSPSWFRUQXSD-UHFFFAOYSA-N 1 0 224.373 2.411 20 30 BEEDRO CC[C@@H](CC#N)N(C)C1CC[NH+](CC)CC1 ZINC000042616572 1171242770 /nfs/dbraw/zinc/24/27/70/1171242770.db2.gz FWJVZPRBJUFIAN-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC001629379695 1171312304 /nfs/dbraw/zinc/31/23/04/1171312304.db2.gz OROWSEOWOPMWJR-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)C1C[NH+](CCCC)C1 ZINC001671157543 1171592750 /nfs/dbraw/zinc/59/27/50/1171592750.db2.gz KBOCYCNORZGNCF-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](CCCC(C)(C)C#N)CCN1C ZINC000357047318 136208512 /nfs/dbraw/zinc/20/85/12/136208512.db2.gz VIDFHKLGOFYFHC-OLZOCXBDSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@@](C)(O)CC ZINC000299029886 136208994 /nfs/dbraw/zinc/20/89/94/136208994.db2.gz RKUDWACJXFXQKC-AWEZNQCLSA-N 1 0 237.343 2.471 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2ccccc21 ZINC000186688796 136207486 /nfs/dbraw/zinc/20/74/86/136207486.db2.gz BQVRYCALLJIENX-GXTWGEPZSA-N 1 0 217.312 2.201 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119652815 136212348 /nfs/dbraw/zinc/21/23/48/136212348.db2.gz MFHJNAJCVRHZKT-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(OCC#N)cc1 ZINC000085982291 136211803 /nfs/dbraw/zinc/21/18/03/136211803.db2.gz YYFZMORDBKHCST-NWDGAFQWSA-N 1 0 248.326 2.010 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000037748860 398147436 /nfs/dbraw/zinc/14/74/36/398147436.db2.gz YAMAAUCQCYFXIJ-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000135169685 136214197 /nfs/dbraw/zinc/21/41/97/136214197.db2.gz GWJOBIYNNCNTHM-UHFFFAOYSA-N 1 0 248.374 2.457 20 30 BEEDRO N#CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103229416 136214855 /nfs/dbraw/zinc/21/48/55/136214855.db2.gz ATEYKPQOSHDTLG-HNNXBMFYSA-N 1 0 249.402 2.488 20 30 BEEDRO Cc1cc(C[N@@H+]2C[C@H](O)C(C)(C)C2)ccc1C#N ZINC000336428705 178007541 /nfs/dbraw/zinc/00/75/41/178007541.db2.gz DOZAQBDEOIHMIH-AWEZNQCLSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000323646567 398156881 /nfs/dbraw/zinc/15/68/81/398156881.db2.gz HVLASDSOVNKRBY-ZIAGYGMSSA-N 1 0 247.338 2.254 20 30 BEEDRO Cn1cc(C[NH2+]C2C(C)(C)C2(C)C)cc1C#N ZINC000232315533 398170681 /nfs/dbraw/zinc/17/06/81/398170681.db2.gz BXFZRLUDWGEGIF-UHFFFAOYSA-N 1 0 231.343 2.421 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000336689394 136216702 /nfs/dbraw/zinc/21/67/02/136216702.db2.gz KBARXZGOIMRUNE-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CC2(C#N)CCC2)C1 ZINC000450848507 398178216 /nfs/dbraw/zinc/17/82/16/398178216.db2.gz UPQKESPSSPWVMZ-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cnn(CC)c1 ZINC000424290033 398179282 /nfs/dbraw/zinc/17/92/82/398179282.db2.gz ASDQGMZHYXHRNE-DYEKYZERSA-N 1 0 249.358 2.145 20 30 BEEDRO C=C(C)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000309074590 136217393 /nfs/dbraw/zinc/21/73/93/136217393.db2.gz IUDLNHZTIZPNJX-QWHCGFSZSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C(C)CC[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421374710 192323235 /nfs/dbraw/zinc/32/32/35/192323235.db2.gz BVNQLXFWDLPRGC-UHFFFAOYSA-N 1 0 227.739 2.438 20 30 BEEDRO C=C(CN[C@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423021746 398162390 /nfs/dbraw/zinc/16/23/90/398162390.db2.gz CSTJHYGHNFMPNL-DOMZBBRYSA-N 1 0 230.355 2.287 20 30 BEEDRO C=C(C)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000309074591 136217620 /nfs/dbraw/zinc/21/76/20/136217620.db2.gz IUDLNHZTIZPNJX-STQMWFEESA-N 1 0 209.333 2.500 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000339755435 398164415 /nfs/dbraw/zinc/16/44/15/398164415.db2.gz HMXLYUDRLWGKOV-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000649885780 398164829 /nfs/dbraw/zinc/16/48/29/398164829.db2.gz AKEUXMCWAXCVIW-QTVXIADOSA-N 1 0 233.355 2.067 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000309367964 136218089 /nfs/dbraw/zinc/21/80/89/136218089.db2.gz BNOIVRBJCXPXJK-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000649958239 398197487 /nfs/dbraw/zinc/19/74/87/398197487.db2.gz QGKBQGPAOQXGNL-RVMXOQNASA-N 1 0 221.344 2.191 20 30 BEEDRO CC#CCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000336732208 136218307 /nfs/dbraw/zinc/21/83/07/136218307.db2.gz LJVSDCLSRRMXFG-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1nccn1C ZINC000336731750 136218324 /nfs/dbraw/zinc/21/83/24/136218324.db2.gz LASXXRZZMIJELM-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccco1 ZINC000320271613 398184204 /nfs/dbraw/zinc/18/42/04/398184204.db2.gz LPWXJTPVIZDPJQ-MNOVXSKESA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(O)C1CC1 ZINC000336736663 136218930 /nfs/dbraw/zinc/21/89/30/136218930.db2.gz PNVIBAUPVLYLCA-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000309520822 136219132 /nfs/dbraw/zinc/21/91/32/136219132.db2.gz UBVPRPSITLSRKT-ZYHUDNBSSA-N 1 0 216.284 2.174 20 30 BEEDRO COc1ccc(O)c(C[NH2+]CCCCC#N)c1 ZINC000182195112 136219135 /nfs/dbraw/zinc/21/91/35/136219135.db2.gz MWPFFPDBTBDFFB-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO C=CCCCCN(CC(F)F)C[C@H](C)O ZINC000576313361 365562939 /nfs/dbraw/zinc/56/29/39/365562939.db2.gz SEKSBVIROVEZQQ-JTQLQIEISA-N 1 0 221.291 2.291 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000335483961 398204791 /nfs/dbraw/zinc/20/47/91/398204791.db2.gz UQUVQZAIBLVNLR-GWCFXTLKSA-N 1 0 240.310 2.094 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000649406912 398206576 /nfs/dbraw/zinc/20/65/76/398206576.db2.gz DQRRHWABTRIDDJ-STQMWFEESA-N 1 0 223.360 2.436 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310009264 136220266 /nfs/dbraw/zinc/22/02/66/136220266.db2.gz HZBSLVAYBODOMY-WCFLWFBJSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](c1ccncc1)[N@H+](C)CCCC#N ZINC000119793488 136220807 /nfs/dbraw/zinc/22/08/07/136220807.db2.gz VGLGVFKJGGHMFE-LLVKDONJSA-N 1 0 203.289 2.378 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414129844 398218077 /nfs/dbraw/zinc/21/80/77/398218077.db2.gz VNKJUODKGBBVTM-OUCADQQQSA-N 1 0 222.376 2.271 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000576390494 365582472 /nfs/dbraw/zinc/58/24/72/365582472.db2.gz JLASJENRJDETLB-MJBXVCDLSA-N 1 0 212.296 2.076 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)C1CCCCC1 ZINC000336773940 136221445 /nfs/dbraw/zinc/22/14/45/136221445.db2.gz ZBYGBRSGGQXZFQ-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[NH+](CC=C)CCCSCC#N ZINC000074981634 398212609 /nfs/dbraw/zinc/21/26/09/398212609.db2.gz NWMPNCLROGCDNS-UHFFFAOYSA-N 1 0 210.346 2.307 20 30 BEEDRO CCOCC[N@H+](C)Cc1cc(C#N)ccc1OC ZINC000130488956 398221614 /nfs/dbraw/zinc/22/16/14/398221614.db2.gz SJAIVKVMNMVIPL-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000649422666 398222161 /nfs/dbraw/zinc/22/21/61/398222161.db2.gz XUWBQDMMECQZPD-XQQFMLRXSA-N 1 0 209.333 2.045 20 30 BEEDRO C[C@H]1CCCN(Cc2ccccc2C#N)[C@H]1C[NH3+] ZINC000251561114 398224120 /nfs/dbraw/zinc/22/41/20/398224120.db2.gz AHUUOSGOTCCNLN-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@H]1C ZINC000076116432 398226284 /nfs/dbraw/zinc/22/62/84/398226284.db2.gz WWWSRXIWQGPMGR-MRVPVSSYSA-N 1 0 204.111 2.379 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381802 192325727 /nfs/dbraw/zinc/32/57/27/192325727.db2.gz KKWJAYREKZNWLQ-STQMWFEESA-N 1 0 236.359 2.354 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381800 192326064 /nfs/dbraw/zinc/32/60/64/192326064.db2.gz KKWJAYREKZNWLQ-OLZOCXBDSA-N 1 0 236.359 2.354 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000223242239 398230482 /nfs/dbraw/zinc/23/04/82/398230482.db2.gz LJNGBNZCIDHNFY-UHFFFAOYSA-N 1 0 232.327 2.197 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)cn1 ZINC000430761069 398230944 /nfs/dbraw/zinc/23/09/44/398230944.db2.gz KNCLKGNCCHXCEM-LLVKDONJSA-N 1 0 232.331 2.247 20 30 BEEDRO CCCC[N@H+](CCO)C[C@H](C)CCC#N ZINC000602436004 349523251 /nfs/dbraw/zinc/52/32/51/349523251.db2.gz XNTSIBAPCLGDGN-GFCCVEGCSA-N 1 0 212.337 2.021 20 30 BEEDRO N#Cc1ccccc1C[NH+]1CCC(CCO)CC1 ZINC000400941191 259305443 /nfs/dbraw/zinc/30/54/43/259305443.db2.gz BGGXOIKYSJYKQK-UHFFFAOYSA-N 1 0 244.338 2.153 20 30 BEEDRO CC[C@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602437456 349524807 /nfs/dbraw/zinc/52/48/07/349524807.db2.gz YFOHEDDMIAXRPS-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@H](C)[C@@H](CN(CC)CCC#N)OC ZINC000602439009 349525068 /nfs/dbraw/zinc/52/50/68/349525068.db2.gz VLAXBESJZKUYJK-NWDGAFQWSA-N 1 0 212.337 2.283 20 30 BEEDRO CCN(CCC#N)Cc1ccc2nccnc2c1 ZINC000602439050 349525340 /nfs/dbraw/zinc/52/53/40/349525340.db2.gz WUDPCZPNJSEPGY-UHFFFAOYSA-N 1 0 240.310 2.365 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])C(C)C ZINC000160925074 136226412 /nfs/dbraw/zinc/22/64/12/136226412.db2.gz VIUGFJFTVBUMIO-LBPRGKRZSA-N 1 0 226.364 2.175 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCC1CCCC1 ZINC000336773710 398234080 /nfs/dbraw/zinc/23/40/80/398234080.db2.gz ZAYOHLWYVIASLG-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@@H](C)[NH+]1C ZINC000135267566 398237215 /nfs/dbraw/zinc/23/72/15/398237215.db2.gz RERSTVQFUQRORR-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CCN(CC#N)C1CCCC1 ZINC000161975054 349527587 /nfs/dbraw/zinc/52/75/87/349527587.db2.gz JQSACDGQSXWEQK-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO N#CCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000397122079 262834950 /nfs/dbraw/zinc/83/49/50/262834950.db2.gz NSXDOJTWGNWLSJ-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCN(Cc1ccc(OC)cc1)C[C@H](C)[NH3+] ZINC000442659978 398243298 /nfs/dbraw/zinc/24/32/98/398243298.db2.gz CIODJNVKKNGDRM-LBPRGKRZSA-N 1 0 234.343 2.030 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000337223577 398240679 /nfs/dbraw/zinc/24/06/79/398240679.db2.gz ODQNADQRIDBKLG-GWCFXTLKSA-N 1 0 248.301 2.212 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000286146226 398248811 /nfs/dbraw/zinc/24/88/11/398248811.db2.gz NHIRRMKPOPIDJU-CYBMUJFWSA-N 1 0 235.302 2.203 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H]1c1cccn1C ZINC000292813813 136229222 /nfs/dbraw/zinc/22/92/22/136229222.db2.gz NJNMNGORQQJZEB-AWEZNQCLSA-N 1 0 234.343 2.365 20 30 BEEDRO CSc1ccc(CC[NH2+]CCC#N)cc1 ZINC000258919599 349534975 /nfs/dbraw/zinc/53/49/75/349534975.db2.gz NKZJZMRUSPMLMP-UHFFFAOYSA-N 1 0 220.341 2.454 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000576646445 365648627 /nfs/dbraw/zinc/64/86/27/365648627.db2.gz AVKGTZMDBVFSEA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC[N@H+](CCC[C@@H]1CCO1)CC1CC1 ZINC000602465607 349538970 /nfs/dbraw/zinc/53/89/70/349538970.db2.gz QHUPQEQIUQJDHB-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000602469927 349541265 /nfs/dbraw/zinc/54/12/65/349541265.db2.gz AVPYCQQNDHHYLP-HUUCEWRRSA-N 1 0 249.402 2.344 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CC1(O)CCCC1 ZINC000602473875 349541354 /nfs/dbraw/zinc/54/13/54/349541354.db2.gz MCSUWJGVLYNYMU-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cncn1C)C1CC1 ZINC000289861952 538945910 /nfs/dbraw/zinc/94/59/10/538945910.db2.gz QZHLWYHKZSMHSS-CYBMUJFWSA-N 1 0 219.332 2.255 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000309314338 259312239 /nfs/dbraw/zinc/31/22/39/259312239.db2.gz CQPBVTMNQMIBHH-YNEHKIRRSA-N 1 0 221.344 2.500 20 30 BEEDRO CCC1(CO)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602470826 349541777 /nfs/dbraw/zinc/54/17/77/349541777.db2.gz IJJPATTVBZXHAZ-ZDUSSCGKSA-N 1 0 238.375 2.411 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOc1cccc(C#N)c1 ZINC000576716677 365669180 /nfs/dbraw/zinc/66/91/80/365669180.db2.gz ZYRSAWVCZUEIGA-ZDUSSCGKSA-N 1 0 243.310 2.219 20 30 BEEDRO CCOC[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343521495 136231055 /nfs/dbraw/zinc/23/10/55/136231055.db2.gz VARVOFFAQCHHMH-GFCCVEGCSA-N 1 0 232.327 2.115 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@](C)(OC)C1CC1 ZINC000602446555 349547757 /nfs/dbraw/zinc/54/77/57/349547757.db2.gz GRFOHWZVKCTSET-DGCLKSJQSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@](C)(CC)OC ZINC000602447739 349548399 /nfs/dbraw/zinc/54/83/99/349548399.db2.gz OZVYGAODKNPINZ-NWDGAFQWSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@H](C)C#N ZINC000602448492 349549718 /nfs/dbraw/zinc/54/97/18/349549718.db2.gz VHQNCBXEYIIPQC-VXGBXAGGSA-N 1 0 207.321 2.408 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000602449665 349550737 /nfs/dbraw/zinc/55/07/37/349550737.db2.gz QJDVEKOIWMRMQK-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000602450542 349552065 /nfs/dbraw/zinc/55/20/65/349552065.db2.gz AJJDSFGURLSFQR-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO C=CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602473719 349554802 /nfs/dbraw/zinc/55/48/02/349554802.db2.gz OUPXVICZSQGSJR-UHFFFAOYSA-N 1 0 227.311 2.351 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCO[C@H](C)C1 ZINC000602461689 349556380 /nfs/dbraw/zinc/55/63/80/349556380.db2.gz ZPLAFEHSLAZFJC-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000602464178 349557237 /nfs/dbraw/zinc/55/72/37/349557237.db2.gz KUYJCSFUJMWLKK-OLZOCXBDSA-N 1 0 224.348 2.021 20 30 BEEDRO CCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602501660 349561460 /nfs/dbraw/zinc/56/14/60/349561460.db2.gz BMAPSXHVNZHOLT-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CCc1cc(C[NH2+]C[C@@H](C)CCC#N)on1 ZINC000602502428 349562324 /nfs/dbraw/zinc/56/23/24/349562324.db2.gz WRZCLFZSOYUXOA-JTQLQIEISA-N 1 0 221.304 2.266 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000602474612 349562358 /nfs/dbraw/zinc/56/23/58/349562358.db2.gz QKFRRIWVFIZUPN-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccccc2CO)CC1 ZINC000602520147 349575035 /nfs/dbraw/zinc/57/50/35/349575035.db2.gz FNUDGIXHKHWENU-UHFFFAOYSA-N 1 0 244.338 2.351 20 30 BEEDRO COC[C@H]([NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602547736 349590428 /nfs/dbraw/zinc/59/04/28/349590428.db2.gz NNNWUTNHTQMXLQ-NEPJUHHUSA-N 1 0 212.337 2.187 20 30 BEEDRO CC[C@H](C)N(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528180 349578186 /nfs/dbraw/zinc/57/81/86/349578186.db2.gz BYDFSYAKTPKDRB-HSBZDZAISA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@@H](C)N(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602528182 349578207 /nfs/dbraw/zinc/57/82/07/349578207.db2.gz BYDFSYAKTPKDRB-IYXRBSQSSA-N 1 0 237.391 2.389 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602527585 349578336 /nfs/dbraw/zinc/57/83/36/349578336.db2.gz QUZZJHXFIUECFE-BPCQOVAHSA-N 1 0 224.348 2.065 20 30 BEEDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@H](C)CCC#N ZINC000602504885 349581755 /nfs/dbraw/zinc/58/17/55/349581755.db2.gz WPOXQPPJBXXAQI-LLVKDONJSA-N 1 0 248.374 2.109 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602506565 349582767 /nfs/dbraw/zinc/58/27/67/349582767.db2.gz DIUQECGNYHKALQ-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]C[C@H](C)CCC#N ZINC000602546894 349590133 /nfs/dbraw/zinc/59/01/33/349590133.db2.gz HAXJONASZKXUCS-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO CC[C@H](C[NH2+]C[C@@H](C)CCC#N)N1CCCC1 ZINC000602507238 349583694 /nfs/dbraw/zinc/58/36/94/349583694.db2.gz DOAPGHGKMUNYOO-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000602508630 349584531 /nfs/dbraw/zinc/58/45/31/349584531.db2.gz OJXXXLYOGUKCBN-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO COc1ccc(C[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602510274 349584547 /nfs/dbraw/zinc/58/45/47/349584547.db2.gz KPXXETADYPLRBE-NSHDSACASA-N 1 0 233.315 2.120 20 30 BEEDRO CC(C)C[C@H](C[NH2+]C[C@H](C)CCC#N)N(C)C ZINC000602511277 349585099 /nfs/dbraw/zinc/58/50/99/349585099.db2.gz NVYSIBLAEGWNCD-ZIAGYGMSSA-N 1 0 239.407 2.492 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000602513744 349585784 /nfs/dbraw/zinc/58/57/84/349585784.db2.gz HZUBSLOPYBZKFL-MCIONIFRSA-N 1 0 235.375 2.143 20 30 BEEDRO Cc1cccc(C[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602514010 349586772 /nfs/dbraw/zinc/58/67/72/349586772.db2.gz JUFCSKGTUVKPBH-NSHDSACASA-N 1 0 217.316 2.420 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602546861 349590319 /nfs/dbraw/zinc/59/03/19/349590319.db2.gz GPXPKBTZPXMAAJ-BPCQOVAHSA-N 1 0 224.348 2.209 20 30 BEEDRO CCN1CCCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602546327 349589420 /nfs/dbraw/zinc/58/94/20/349589420.db2.gz KGLRLOAICZGCPC-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO COC[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602546219 349589629 /nfs/dbraw/zinc/58/96/29/349589629.db2.gz HWXOWEFMDGPVJV-WXRRBKDZSA-N 1 0 224.348 2.329 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000602518898 349573797 /nfs/dbraw/zinc/57/37/97/349573797.db2.gz SNVIIJVGOWFXLE-OTTFEQOBSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000346201430 136233714 /nfs/dbraw/zinc/23/37/14/136233714.db2.gz RYWHLXQGVPAPGE-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@H](C)CCC#N ZINC000602558942 349598819 /nfs/dbraw/zinc/59/88/19/349598819.db2.gz QMVIZANZTKIMKZ-FRRDWIJNSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)CC(C)(C)C ZINC000602560612 349599777 /nfs/dbraw/zinc/59/97/77/349599777.db2.gz YXMIHMXGTKXWBI-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000602559563 349599870 /nfs/dbraw/zinc/59/98/70/349599870.db2.gz PMUDGRMOIZAGMK-GNRIBBGQSA-N 1 0 236.359 2.209 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602560003 349599926 /nfs/dbraw/zinc/59/99/26/349599926.db2.gz HBZWHUZJDBXLED-NEPJUHHUSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(CCO)CCCC1 ZINC000602562641 349601532 /nfs/dbraw/zinc/60/15/32/349601532.db2.gz VICWLGWZGDRNRK-CYBMUJFWSA-N 1 0 238.375 2.459 20 30 BEEDRO CC[C@H](C)N(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602533570 349601682 /nfs/dbraw/zinc/60/16/82/349601682.db2.gz OLCUATFXFIWVQJ-OLZOCXBDSA-N 1 0 225.380 2.246 20 30 BEEDRO N#CC1CCC([NH2+]CCOCC2CC2)CC1 ZINC000602549722 349592281 /nfs/dbraw/zinc/59/22/81/349592281.db2.gz YXSPIRNIQPWWCL-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1C#N ZINC000335291455 343999926 /nfs/dbraw/zinc/99/99/26/343999926.db2.gz DBWAYSYIDQHNSM-CYBMUJFWSA-N 1 0 229.327 2.129 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1cscn1 ZINC000602554126 349595469 /nfs/dbraw/zinc/59/54/69/349595469.db2.gz FLRBQLAVCSEDRR-SNVBAGLBSA-N 1 0 223.345 2.215 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000602540323 349605655 /nfs/dbraw/zinc/60/56/55/349605655.db2.gz LDPABRHBWYZAJA-UKRRQHHQSA-N 1 0 246.354 2.119 20 30 BEEDRO N#CCN1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000602540459 349605703 /nfs/dbraw/zinc/60/57/03/349605703.db2.gz YRQGDFIMKMLBFM-HZSPNIEDSA-N 1 0 247.386 2.000 20 30 BEEDRO COC(=O)CC1([NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602584434 349611977 /nfs/dbraw/zinc/61/19/77/349611977.db2.gz BKUSUVZMKQQMOT-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000600133165 342687267 /nfs/dbraw/zinc/68/72/67/342687267.db2.gz SXGBJXCKGLANNK-UHFFFAOYSA-N 1 0 219.288 2.335 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600132958 342687344 /nfs/dbraw/zinc/68/73/44/342687344.db2.gz PLOMHAKEVCJKDJ-LLVKDONJSA-N 1 0 248.326 2.313 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CCCO1 ZINC000602578291 349606894 /nfs/dbraw/zinc/60/68/94/349606894.db2.gz XJBVMJBJINYOIQ-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccc(CO)cc1 ZINC000602580841 349608313 /nfs/dbraw/zinc/60/83/13/349608313.db2.gz IIDSFHONQALIAY-CYBMUJFWSA-N 1 0 246.354 2.251 20 30 BEEDRO CC(C)(CCCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602584343 349611903 /nfs/dbraw/zinc/61/19/03/349611903.db2.gz ZTNXKWRKZXQZAF-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000602582293 349610011 /nfs/dbraw/zinc/61/00/11/349610011.db2.gz VNIDWVOLVUZSFP-NXEZZACHSA-N 1 0 206.293 2.000 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602582630 349610111 /nfs/dbraw/zinc/61/01/11/349610111.db2.gz QNDUWOSJJMOEOC-ZIHBUVQPSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000602583567 349610795 /nfs/dbraw/zinc/61/07/95/349610795.db2.gz ZHMSMMXMSRSNHJ-UPJWGTAASA-N 1 0 224.348 2.331 20 30 BEEDRO N#CCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000600143463 342689864 /nfs/dbraw/zinc/68/98/64/342689864.db2.gz BXKIQEYGSLZENU-UHFFFAOYSA-N 1 0 226.283 2.023 20 30 BEEDRO CC[C@@H](CC#N)NCc1cnc(C2CC2)o1 ZINC000600150871 342691213 /nfs/dbraw/zinc/69/12/13/342691213.db2.gz IDRXWNZGXNLULZ-JTQLQIEISA-N 1 0 219.288 2.334 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000602587092 349612716 /nfs/dbraw/zinc/61/27/16/349612716.db2.gz ORBLHUPIAYASDU-AGIUHOORSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCNc1ccccn1 ZINC000602587498 349612857 /nfs/dbraw/zinc/61/28/57/349612857.db2.gz IJMPAXFLJNDNSZ-CYBMUJFWSA-N 1 0 246.358 2.413 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ncccc2F)C1 ZINC000613255492 361857690 /nfs/dbraw/zinc/85/76/90/361857690.db2.gz MQDWVQOPEBKUHC-GHMZBOCLSA-N 1 0 233.290 2.393 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](CO)c1cccnc1 ZINC000348689629 136236636 /nfs/dbraw/zinc/23/66/36/136236636.db2.gz XBBCRURETJSTIW-HUUCEWRRSA-N 1 0 248.370 2.492 20 30 BEEDRO CC[C@@H](C[NH+]1CCC(CCC#N)CC1)OC ZINC000399479574 342730046 /nfs/dbraw/zinc/73/00/46/342730046.db2.gz ZEQOGSZNLQBXEC-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H](C[NH+]1CCC(CCC#N)CC1)OC ZINC000399479573 342730156 /nfs/dbraw/zinc/73/01/56/342730156.db2.gz ZEQOGSZNLQBXEC-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(F)cc1F ZINC000320224861 342732432 /nfs/dbraw/zinc/73/24/32/342732432.db2.gz HJVKYOSPMXOXAR-LBPRGKRZSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cscn1 ZINC000320296712 342733167 /nfs/dbraw/zinc/73/31/67/342733167.db2.gz RHXHZPYDUSLOOH-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO CC[N@@H+]1CCCN(CC2(CC#N)CC2)[C@@H](C)C1 ZINC000320378118 342733492 /nfs/dbraw/zinc/73/34/92/342733492.db2.gz ROFGHAUNGUGANS-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[N@@H+]1CCCN(CCC(C)(C)C#N)[C@H](C)C1 ZINC000320437615 342733772 /nfs/dbraw/zinc/73/37/72/342733772.db2.gz ZNXUBIQHNVSWAN-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccoc1 ZINC000320774550 342739609 /nfs/dbraw/zinc/73/96/09/342739609.db2.gz QKGXDBXHFJQUJW-PWSUYJOCSA-N 1 0 209.289 2.257 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCS1 ZINC000602566376 349618444 /nfs/dbraw/zinc/61/84/44/349618444.db2.gz CLQWUGLSXGYWJL-WDEREUQCSA-N 1 0 212.362 2.411 20 30 BEEDRO N#CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335278159 398284278 /nfs/dbraw/zinc/28/42/78/398284278.db2.gz SRKQBIRAXPDDDB-OLZOCXBDSA-N 1 0 217.316 2.304 20 30 BEEDRO C=C(C)COCC[NH2+]C1CCC(C#N)CC1 ZINC000602565354 349617622 /nfs/dbraw/zinc/61/76/22/349617622.db2.gz BGROOKALSMYIJP-UHFFFAOYSA-N 1 0 222.332 2.251 20 30 BEEDRO COCCC(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602565971 349617665 /nfs/dbraw/zinc/61/76/65/349617665.db2.gz TXHNPDWJMMUONP-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C=CCN(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000583974110 342800908 /nfs/dbraw/zinc/80/09/08/342800908.db2.gz JGWBYEMVCWEVFF-UHFFFAOYSA-N 1 0 207.321 2.325 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(CO)CCCCC1 ZINC000602573528 349623388 /nfs/dbraw/zinc/62/33/88/349623388.db2.gz RIWISGXYQGMKDW-CYBMUJFWSA-N 1 0 238.375 2.459 20 30 BEEDRO CC(C)(C)C[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602575624 349623933 /nfs/dbraw/zinc/62/39/33/349623933.db2.gz TTXPSLZGDLPBJD-BPCQOVAHSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602575625 349624213 /nfs/dbraw/zinc/62/42/13/349624213.db2.gz TTXPSLZGDLPBJD-WXRRBKDZSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000602574539 349624217 /nfs/dbraw/zinc/62/42/17/349624217.db2.gz AYVRKOTUMKEQDB-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000336707463 342817021 /nfs/dbraw/zinc/81/70/21/342817021.db2.gz LULVTURRVOPGJA-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO CO[C@@H](C[NH2+]CCCC#N)Cc1ccccc1 ZINC000602603443 349626306 /nfs/dbraw/zinc/62/63/06/349626306.db2.gz ANGDAXUKFUVZJK-CQSZACIVSA-N 1 0 232.327 2.137 20 30 BEEDRO COCC#CC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000380348375 538989437 /nfs/dbraw/zinc/98/94/37/538989437.db2.gz UOUUSEQYXMOVKV-ITGUQSILSA-N 1 0 209.333 2.051 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccnc1C#N ZINC000357583673 398291266 /nfs/dbraw/zinc/29/12/66/398291266.db2.gz RPBDXTBXCDSEGO-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000379877079 538981128 /nfs/dbraw/zinc/98/11/28/538981128.db2.gz ARPQZNRIWDFRGB-IUCAKERBSA-N 1 0 225.254 2.100 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCN(C)C1 ZINC000379974299 538983456 /nfs/dbraw/zinc/98/34/56/538983456.db2.gz CSKBHAAFNMUIFU-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000304267062 398295128 /nfs/dbraw/zinc/29/51/28/398295128.db2.gz VOXWOPLSGZAVBT-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000304254089 398295140 /nfs/dbraw/zinc/29/51/40/398295140.db2.gz ADIYMERJKOYWAR-MFKMUULPSA-N 1 0 236.315 2.038 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1ccncc1 ZINC000390480494 539022554 /nfs/dbraw/zinc/02/25/54/539022554.db2.gz MOEJXQYSQDJRMB-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO COC1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602605977 349628207 /nfs/dbraw/zinc/62/82/07/349628207.db2.gz MJVXTLIERFWCDV-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1C#N ZINC000335632785 136241721 /nfs/dbraw/zinc/24/17/21/136241721.db2.gz XGJUHPJVHQLRHG-CHWSQXEVSA-N 1 0 235.306 2.267 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC1CCC1 ZINC000389981088 539019457 /nfs/dbraw/zinc/01/94/57/539019457.db2.gz IZJRIRAKBHHCMO-AAEUAGOBSA-N 1 0 211.349 2.339 20 30 BEEDRO CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)CC1CC1 ZINC000069238174 398310993 /nfs/dbraw/zinc/31/09/93/398310993.db2.gz TUFNIRLCPXIRML-OAHLLOKOSA-N 1 0 244.338 2.324 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000342828875 342862580 /nfs/dbraw/zinc/86/25/80/342862580.db2.gz CAXOJUXVSPBQMM-DGCLKSJQSA-N 1 0 244.342 2.156 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000516660165 398303335 /nfs/dbraw/zinc/30/33/35/398303335.db2.gz NOJKFVAPMYSJGL-SNVBAGLBSA-N 1 0 203.289 2.184 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000134549344 342863685 /nfs/dbraw/zinc/86/36/85/342863685.db2.gz FIKABQPOZJPCSA-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000342828876 342864692 /nfs/dbraw/zinc/86/46/92/342864692.db2.gz CAXOJUXVSPBQMM-WCQYABFASA-N 1 0 244.342 2.156 20 30 BEEDRO COc1cc(C#N)ccc1OCC[N@H+](C)C1CC1 ZINC000077250973 398307626 /nfs/dbraw/zinc/30/76/26/398307626.db2.gz YTKVAOMPCPSWFM-UHFFFAOYSA-N 1 0 246.310 2.040 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)C#N ZINC000602608694 349632210 /nfs/dbraw/zinc/63/22/10/349632210.db2.gz WAYPERRGUVNIKL-GFCCVEGCSA-N 1 0 249.358 2.225 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@H](C)C#N)C1CCCCC1 ZINC000602608646 349632234 /nfs/dbraw/zinc/63/22/34/349632234.db2.gz UXEWTBCJGCZRII-YPMHNXCESA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000342837052 342876455 /nfs/dbraw/zinc/87/64/55/342876455.db2.gz VOTRFNUDUVPJNU-WCQYABFASA-N 1 0 244.342 2.156 20 30 BEEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000330477382 398316139 /nfs/dbraw/zinc/31/61/39/398316139.db2.gz MEQRNCMLBPCOFB-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO COc1ccc(C[N@H+](C)C[C@@H](C)CCC#N)cn1 ZINC000602610510 349634878 /nfs/dbraw/zinc/63/48/78/349634878.db2.gz AESICIUCHJKEFU-LBPRGKRZSA-N 1 0 247.342 2.462 20 30 BEEDRO N#CCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000035009903 342881903 /nfs/dbraw/zinc/88/19/03/342881903.db2.gz CUSPBKCYMGVKMT-ZDUSSCGKSA-N 1 0 200.285 2.047 20 30 BEEDRO CC[C@@H](CC#N)N(CC[NH3+])Cc1ccccc1 ZINC000233866036 342893212 /nfs/dbraw/zinc/89/32/12/342893212.db2.gz VYSUABBNYQIATG-AWEZNQCLSA-N 1 0 231.343 2.140 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCC2CC2)c1 ZINC000104159819 398323778 /nfs/dbraw/zinc/32/37/78/398323778.db2.gz GCWDEXLRURLDSP-UHFFFAOYSA-N 1 0 217.316 2.386 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000602618791 349639521 /nfs/dbraw/zinc/63/95/21/349639521.db2.gz FQJOWCLCZYCBCI-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000602618793 349639610 /nfs/dbraw/zinc/63/96/10/349639610.db2.gz FQJOWCLCZYCBCI-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000602622542 349641627 /nfs/dbraw/zinc/64/16/27/349641627.db2.gz AAUPBBDTIKTZAJ-FKZOYECMSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602635402 349650628 /nfs/dbraw/zinc/65/06/28/349650628.db2.gz YAQJITADMYUFGR-XVSSEFHLSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@]1(C)C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602624469 349643149 /nfs/dbraw/zinc/64/31/49/349643149.db2.gz BNEPLMVKRKJKJB-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)cs1 ZINC000602600045 349645833 /nfs/dbraw/zinc/64/58/33/349645833.db2.gz GQHVDXUBZXQKHY-SNVBAGLBSA-N 1 0 237.328 2.016 20 30 BEEDRO C[C@@]1([NH2+]C2CCC(C#N)CC2)CCCOC1 ZINC000602600222 349646355 /nfs/dbraw/zinc/64/63/55/349646355.db2.gz GYULBGNJAVUPGT-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000602650399 349659650 /nfs/dbraw/zinc/65/96/50/349659650.db2.gz GIUZBHNYNUBLRF-KGLIPLIRSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@@H](C)CCC#N)c1nncn1C ZINC000602652395 349660409 /nfs/dbraw/zinc/66/04/09/349660409.db2.gz YABUHMIVKBIDCD-RYUDHWBXSA-N 1 0 249.362 2.042 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)CC1CCC1 ZINC000602637605 349651403 /nfs/dbraw/zinc/65/14/03/349651403.db2.gz HDFOEIBTWSDRIZ-DGCLKSJQSA-N 1 0 224.348 2.067 20 30 BEEDRO Cc1nc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000562462734 323020771 /nfs/dbraw/zinc/02/07/71/323020771.db2.gz SANLHRRSSPLLOX-NWDGAFQWSA-N 1 0 233.315 2.116 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000602640726 349653971 /nfs/dbraw/zinc/65/39/71/349653971.db2.gz YZPBKPPYOQAOIO-WCQYABFASA-N 1 0 244.338 2.389 20 30 BEEDRO CCC(CC)(CCO)[NH2+]C[C@H](C)CCC#N ZINC000602659096 349653982 /nfs/dbraw/zinc/65/39/82/349653982.db2.gz NBLKWOMUUNNLEK-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000602641814 349654330 /nfs/dbraw/zinc/65/43/30/349654330.db2.gz FGNPUEVPBUESHZ-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCC1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602642336 349654687 /nfs/dbraw/zinc/65/46/87/349654687.db2.gz JFBZGSBECGTXFF-UHFFFAOYSA-N 1 0 217.316 2.352 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)[C@@H](C)C1 ZINC000602654658 349661070 /nfs/dbraw/zinc/66/10/70/349661070.db2.gz IMOMFJMVRFDCDT-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602642692 349655658 /nfs/dbraw/zinc/65/56/58/349655658.db2.gz GPDXYDJVRWJWSO-UHFFFAOYSA-N 1 0 201.273 2.009 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)N(CC)C[C@@H]1C ZINC000351722591 136249657 /nfs/dbraw/zinc/24/96/57/136249657.db2.gz VURDPXFWFLULIP-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@H]1COCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602654304 349661256 /nfs/dbraw/zinc/66/12/56/349661256.db2.gz KVKNLDPYXNNXEY-RJZJGCCBSA-N 1 0 236.359 2.331 20 30 BEEDRO CO[C@@](C)(C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602676339 349669254 /nfs/dbraw/zinc/66/92/54/349669254.db2.gz NFMZOSQVEZTWGO-UBHUBRDASA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@](C)(C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602676340 349669324 /nfs/dbraw/zinc/66/93/24/349669324.db2.gz NFMZOSQVEZTWGO-UXUKBGGZSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@](C)(C[NH2+]C[C@@H](C)CCC#N)OC ZINC000602676453 349669345 /nfs/dbraw/zinc/66/93/45/349669345.db2.gz QCNITISEZJCXPV-NWDGAFQWSA-N 1 0 212.337 2.331 20 30 BEEDRO Cc1nocc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000602676822 349669985 /nfs/dbraw/zinc/66/99/85/349669985.db2.gz RUFUITDOTXBXBY-JQWIXIFHSA-N 1 0 219.288 2.155 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CC(C)(C)C#N ZINC000602676711 349670027 /nfs/dbraw/zinc/67/00/27/349670027.db2.gz VIGYPAKGOPGRQI-NSHDSACASA-N 1 0 207.321 2.408 20 30 BEEDRO CC[C@](C)(C[NH2+]C1CCC(C#N)CC1)OC ZINC000602676511 349670208 /nfs/dbraw/zinc/67/02/08/349670208.db2.gz RHFYHFXVMYPWCR-WXRRBKDZSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@](C)(C[NH2+][C@H]1CC[C@@H](CC#N)C1)OC ZINC000602678548 349670678 /nfs/dbraw/zinc/67/06/78/349670678.db2.gz FXKUBGBKGJWYCZ-AVGNSLFASA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H]1C[N@H+](C[C@@H](C)CCC#N)CCCO1 ZINC000602656160 349661967 /nfs/dbraw/zinc/66/19/67/349661967.db2.gz MYMUIENQCSDZDT-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCOC(F)F ZINC000602656384 349662088 /nfs/dbraw/zinc/66/20/88/349662088.db2.gz ACDDMGCDHIHGIF-VIFPVBQESA-N 1 0 220.263 2.145 20 30 BEEDRO Cc1cnn([C@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)c1 ZINC000602678332 349670831 /nfs/dbraw/zinc/67/08/31/349670831.db2.gz VFQNGMKEXVOUGM-JSGCOSHPSA-N 1 0 246.358 2.378 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000602629306 349664932 /nfs/dbraw/zinc/66/49/32/349664932.db2.gz MKPXLRNGBKKWFZ-MROQNXINSA-N 1 0 224.348 2.424 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000602678094 349670993 /nfs/dbraw/zinc/67/09/93/349670993.db2.gz BZPNFMLQAFFJEH-AGIUHOORSA-N 1 0 244.342 2.080 20 30 BEEDRO COCC(C)(C)[N@H+](C)C[C@H](C)CCC#N ZINC000602670751 349665871 /nfs/dbraw/zinc/66/58/71/349665871.db2.gz CWQHYQLCKTUDRC-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO COc1ccncc1C[NH2+]C[C@@H](C)CCC#N ZINC000602671480 349665953 /nfs/dbraw/zinc/66/59/53/349665953.db2.gz ULYYQLKOHWTRLD-NSHDSACASA-N 1 0 233.315 2.120 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000602671075 349665965 /nfs/dbraw/zinc/66/59/65/349665965.db2.gz IJNSMMLQPVTOEP-ZIAGYGMSSA-N 1 0 249.402 2.342 20 30 BEEDRO COCC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602671415 349665992 /nfs/dbraw/zinc/66/59/92/349665992.db2.gz KJUXRBZUWSHRBJ-UHFFFAOYSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1nnsc1C[NH2+]C1CCC(C#N)CC1 ZINC000602671842 349666885 /nfs/dbraw/zinc/66/68/85/349666885.db2.gz KMTJCNPTSHDRSR-UHFFFAOYSA-N 1 0 236.344 2.019 20 30 BEEDRO C=CCN(CCC#N)C[C@H](C)CCC#N ZINC000602672522 349666923 /nfs/dbraw/zinc/66/69/23/349666923.db2.gz PSVREXXJDGJEAI-GFCCVEGCSA-N 1 0 205.305 2.328 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)c1 ZINC000602678334 349671067 /nfs/dbraw/zinc/67/10/67/349671067.db2.gz VFQNGMKEXVOUGM-TZMCWYRMSA-N 1 0 246.358 2.378 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](C)CCC#N)C(C)(C)O ZINC000602674061 349667503 /nfs/dbraw/zinc/66/75/03/349667503.db2.gz CCNPSOGVXCPOIU-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO COCC(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602673554 349667505 /nfs/dbraw/zinc/66/75/05/349667505.db2.gz VJBMITLEUQJDOW-LLVKDONJSA-N 1 0 212.337 2.188 20 30 BEEDRO COc1cc(C[NH2+]CC(C)(C)CC#N)sn1 ZINC000602689882 349675562 /nfs/dbraw/zinc/67/55/62/349675562.db2.gz GMWFUAFBXTYPFX-UHFFFAOYSA-N 1 0 239.344 2.181 20 30 BEEDRO Cc1nn(C)cc1C[NH+]1CCC(CCC#N)CC1 ZINC000260203207 349676179 /nfs/dbraw/zinc/67/61/79/349676179.db2.gz VGPKEDQALRMPBE-UHFFFAOYSA-N 1 0 246.358 2.244 20 30 BEEDRO Cc1ncc(C[NH2+]C[C@H](C)CCC#N)o1 ZINC000602689237 349679552 /nfs/dbraw/zinc/67/95/52/349679552.db2.gz ACPSNOMMGIECRG-SECBINFHSA-N 1 0 207.277 2.013 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602684633 349676395 /nfs/dbraw/zinc/67/63/95/349676395.db2.gz IDJZVJSAFRUJEE-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1cccnc1CC[NH2+]C[C@H](C)CCC#N ZINC000602684621 349676563 /nfs/dbraw/zinc/67/65/63/349676563.db2.gz ICFTZRCOLCPHKA-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602685518 349677227 /nfs/dbraw/zinc/67/72/27/349677227.db2.gz IHJIPNUMMSQJHI-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CCn1cc([C@H](C)[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602679144 349671433 /nfs/dbraw/zinc/67/14/33/349671433.db2.gz CERKYRHEIPTAPF-RYUDHWBXSA-N 1 0 234.347 2.493 20 30 BEEDRO CCC[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)OC ZINC000602678578 349671712 /nfs/dbraw/zinc/67/17/12/349671712.db2.gz GMIHPIANOISRHF-AVGNSLFASA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(C[C@H](C)CCC#N)CC1 ZINC000602679113 349671836 /nfs/dbraw/zinc/67/18/36/349671836.db2.gz BKEWLTCPWVBFAX-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000602681006 349673178 /nfs/dbraw/zinc/67/31/78/349673178.db2.gz HGUGDVFINNTOCN-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO CS[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602681473 349673561 /nfs/dbraw/zinc/67/35/61/349673561.db2.gz VEIMZVBWSUOOBP-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO C=C(C)CCN1CCOC[C@@H]1c1c(C)n[nH]c1C ZINC000351752361 136251299 /nfs/dbraw/zinc/25/12/99/136251299.db2.gz QOVGQQGSTQONNS-CYBMUJFWSA-N 1 0 249.358 2.366 20 30 BEEDRO CCC[C@H](C[NH2+]CC(C)(C)CC#N)OC ZINC000602690302 349687718 /nfs/dbraw/zinc/68/77/18/349687718.db2.gz IROXZOZMHYMOSA-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C1CCC(CO)CC1 ZINC000602667161 349684711 /nfs/dbraw/zinc/68/47/11/349684711.db2.gz OKDBFNXMHQZJMT-IYXRBSQSSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000248523890 323024127 /nfs/dbraw/zinc/02/41/27/323024127.db2.gz SSUMQHHHSAPSGE-HZSPNIEDSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248521790 323024164 /nfs/dbraw/zinc/02/41/64/323024164.db2.gz RSIMUZCZIZSSQW-YVECIDJPSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@@H](Cc1cnccn1)[NH2+]CC(C)(C)CCC#N ZINC000602663426 349683007 /nfs/dbraw/zinc/68/30/07/349683007.db2.gz UIISWOJGKKDHAJ-LBPRGKRZSA-N 1 0 246.358 2.327 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000602692892 349689710 /nfs/dbraw/zinc/68/97/10/349689710.db2.gz ZVUAKVQPAYCGQV-MXWKQRLJSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000602692474 349689955 /nfs/dbraw/zinc/68/99/55/349689955.db2.gz IGYYLMQFDFKMPX-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000602692542 349690114 /nfs/dbraw/zinc/69/01/14/349690114.db2.gz AQSIZDWOMXQEFN-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000602692541 349690149 /nfs/dbraw/zinc/69/01/49/349690149.db2.gz AQSIZDWOMXQEFN-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC[C@H](C[NH2+]CC1(C#N)CCC1)OC ZINC000602693637 349690970 /nfs/dbraw/zinc/69/09/70/349690970.db2.gz DFMCONMDNRZUHM-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CCC1)CC(C)C ZINC000602695290 349691743 /nfs/dbraw/zinc/69/17/43/349691743.db2.gz LNCYAQILKUXRMM-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000624013896 346902990 /nfs/dbraw/zinc/90/29/90/346902990.db2.gz LNMJENOKCMCOLI-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO N#CC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCC1 ZINC000602697340 349693385 /nfs/dbraw/zinc/69/33/85/349693385.db2.gz KCSXDBLWUKLHDZ-AVGNSLFASA-N 1 0 246.354 2.227 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000602697692 349693615 /nfs/dbraw/zinc/69/36/15/349693615.db2.gz LGGJQUISHQVHKQ-KBPBESRZSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CC1(F)F ZINC000602698777 349694589 /nfs/dbraw/zinc/69/45/89/349694589.db2.gz YRLRWDTVTQKCDL-DTWKUNHWSA-N 1 0 214.259 2.314 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(CO)cc1 ZINC000602690597 349688465 /nfs/dbraw/zinc/68/84/65/349688465.db2.gz KMLJIXYDSOIICW-UHFFFAOYSA-N 1 0 232.327 2.208 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@H](O)C(C)C ZINC000602691289 349688477 /nfs/dbraw/zinc/68/84/77/349688477.db2.gz QNBWOYBNKRURNO-RWMBFGLXSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1csnn1 ZINC000602691524 349689066 /nfs/dbraw/zinc/68/90/66/349689066.db2.gz DEPAUKWYRTUVRT-XNWIYYODSA-N 1 0 236.344 2.271 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CS1 ZINC000602699095 349695456 /nfs/dbraw/zinc/69/54/56/349695456.db2.gz QSZIMYHTTPZWHK-UWVGGRQHSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000602704983 349698962 /nfs/dbraw/zinc/69/89/62/349698962.db2.gz IYJFTHGEPGELBO-CHWSQXEVSA-N 1 0 237.391 2.389 20 30 BEEDRO N#CC1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000602707844 349700662 /nfs/dbraw/zinc/70/06/62/349700662.db2.gz JTRJOYHJOPROIL-VQXHTEKXSA-N 1 0 244.285 2.083 20 30 BEEDRO C=CCC[NH2+][C@](C)(CC(=O)OC)c1ccccn1 ZINC000351836787 136256469 /nfs/dbraw/zinc/25/64/69/136256469.db2.gz XDGFLIWOTKBUER-CQSZACIVSA-N 1 0 248.326 2.026 20 30 BEEDRO COC1CC(CC[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602707380 349701055 /nfs/dbraw/zinc/70/10/55/349701055.db2.gz UVMGRQVZMKNRBV-HIFPTAJRSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000602708610 349701632 /nfs/dbraw/zinc/70/16/32/349701632.db2.gz RAIUBMOUGBAHOF-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO N#CCC1C[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000602708657 349701847 /nfs/dbraw/zinc/70/18/47/349701847.db2.gz OPZKTYXPQYPCQS-RTXFEEFZSA-N 1 0 204.317 2.268 20 30 BEEDRO CO[C@@H](C[NH+]1CC(CC#N)C1)C1CCCC1 ZINC000602708296 349702020 /nfs/dbraw/zinc/70/20/20/349702020.db2.gz NWYDEEHLBAIFHL-ZDUSSCGKSA-N 1 0 222.332 2.037 20 30 BEEDRO CCC[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)OC ZINC000602719161 349698281 /nfs/dbraw/zinc/69/82/81/349698281.db2.gz UKARGFAXFNZJFJ-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H]1COCC ZINC000309061050 259336181 /nfs/dbraw/zinc/33/61/81/259336181.db2.gz WPQWQXQCRRISOL-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO C=C(C)CC[N@@H+](CCC)CC(=O)NCCC ZINC000351854458 136258189 /nfs/dbraw/zinc/25/81/89/136258189.db2.gz DRLGEKJIFZBINI-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CCOC1CC(C[N@H+](CC)C[C@@H](C)C#N)C1 ZINC000351853439 136258269 /nfs/dbraw/zinc/25/82/69/136258269.db2.gz DPUNPEIQIHBZPW-HIFPTAJRSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1CCC(O)CC1 ZINC000602715274 349706242 /nfs/dbraw/zinc/70/62/42/349706242.db2.gz ZJPUEXKWTLDCSP-HIFPTAJRSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000602714943 349706489 /nfs/dbraw/zinc/70/64/89/349706489.db2.gz KKQUKZCIQRDGMQ-NSHDSACASA-N 1 0 232.331 2.098 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000602714942 349706594 /nfs/dbraw/zinc/70/65/94/349706594.db2.gz KKQUKZCIQRDGMQ-LLVKDONJSA-N 1 0 232.331 2.098 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339095671 536743584 /nfs/dbraw/zinc/74/35/84/536743584.db2.gz FEQZVYVWWQTCCJ-MJBXVCDLSA-N 1 0 236.359 2.427 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000309010869 259336888 /nfs/dbraw/zinc/33/68/88/259336888.db2.gz RUDSUSHSPMTKFD-WCQYABFASA-N 1 0 209.333 2.049 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]12C[C@H]1COC2(C)C ZINC000602719762 349712443 /nfs/dbraw/zinc/71/24/43/349712443.db2.gz GMPHMKFJPVNIIY-NTZNESFSSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CCCOC1 ZINC000602722017 349713278 /nfs/dbraw/zinc/71/32/78/349713278.db2.gz ZAZPILFYJDOGDJ-QWHCGFSZSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CCCOC1 ZINC000602722018 349713543 /nfs/dbraw/zinc/71/35/43/349713543.db2.gz ZAZPILFYJDOGDJ-STQMWFEESA-N 1 0 224.348 2.333 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602724517 349714310 /nfs/dbraw/zinc/71/43/10/349714310.db2.gz UYDHNSBNTWMXOD-QWHCGFSZSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602724613 349714360 /nfs/dbraw/zinc/71/43/60/349714360.db2.gz INRBTVQNSCOLEZ-YUXHRAGNSA-N 1 0 236.359 2.470 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602724676 349714371 /nfs/dbraw/zinc/71/43/71/349714371.db2.gz USFWNUISEUGXRU-OTTFEQOBSA-N 1 0 236.359 2.473 20 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234.343 2.039 20 30 BEEDRO C[C@@]1(CCCO)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602799161 349739703 /nfs/dbraw/zinc/73/97/03/349739703.db2.gz SDSFNNFYEWOWCT-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H]1F ZINC000602802058 349741714 /nfs/dbraw/zinc/74/17/14/349741714.db2.gz OCXJULIPNZLAPF-WDEREUQCSA-N 1 0 210.296 2.360 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000090617700 259339220 /nfs/dbraw/zinc/33/92/20/259339220.db2.gz AAOJNGCDUILMMV-ZDUSSCGKSA-N 1 0 231.339 2.439 20 30 BEEDRO CC[N@@H+]1C[C@@H](C)N(CC2(CC#N)CC2)C[C@@H]1C ZINC000602801376 349742031 /nfs/dbraw/zinc/74/20/31/349742031.db2.gz SFAITMINQMAQLD-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1F ZINC000602802054 349742092 /nfs/dbraw/zinc/74/20/92/349742092.db2.gz OCXJULIPNZLAPF-QWRGUYRKSA-N 1 0 210.296 2.360 20 30 BEEDRO N#CCC1(C[NH+]2CCC(n3ccnc3)CC2)CC1 ZINC000602777391 349743799 /nfs/dbraw/zinc/74/37/99/349743799.db2.gz DRYNZLZWFLRJOT-UHFFFAOYSA-N 1 0 244.342 2.214 20 30 BEEDRO C[C@H]1C[C@@H]([N@H+](C)CC2(CC#N)CC2)CCN1C ZINC000602778554 349744778 /nfs/dbraw/zinc/74/47/78/349744778.db2.gz LZOLYQDAXUHFHG-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1OCC[C@H]1CN(CCC#N)Cc1ccco1 ZINC000602780379 349746030 /nfs/dbraw/zinc/74/60/30/349746030.db2.gz HSMBYHLZZHRSJI-OLZOCXBDSA-N 1 0 248.326 2.420 20 30 BEEDRO CCC[N@H+](C)C[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000602779831 349746106 /nfs/dbraw/zinc/74/61/06/349746106.db2.gz SIDCVNFFMOUWPC-CQSZACIVSA-N 1 0 249.402 2.344 20 30 BEEDRO C[C@@H](CO)[N@H+](CC1CCC1)CC1(CC#N)CC1 ZINC000602823184 349763143 /nfs/dbraw/zinc/76/31/43/349763143.db2.gz ZLHLMFNNFKDZRJ-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CCC1(CN2CCOC[C@@H]2CC(F)F)CC1 ZINC000602829998 349766411 /nfs/dbraw/zinc/76/64/11/349766411.db2.gz SWRUNXISMMXUKS-JTQLQIEISA-N 1 0 244.285 2.036 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCSCC1 ZINC000336686460 346915866 /nfs/dbraw/zinc/91/58/66/346915866.db2.gz UTDGFFNJWPWBNI-AAEUAGOBSA-N 1 0 241.400 2.453 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000602786479 349750584 /nfs/dbraw/zinc/75/05/84/349750584.db2.gz UFXGWTIWUNXMAW-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CC#N)N(C)Cc1cccc2c1CCOC2 ZINC000602789830 349752417 /nfs/dbraw/zinc/75/24/17/349752417.db2.gz ZVVIPFMUKYXNPB-GFCCVEGCSA-N 1 0 244.338 2.493 20 30 BEEDRO COC[C@@H]1CCCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602810709 349754783 /nfs/dbraw/zinc/75/47/83/349754783.db2.gz HNCNTGCIWUMQIF-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@H]1C[N@H+](CC)CCN1CC1(CC#N)CC1 ZINC000602841509 349779306 /nfs/dbraw/zinc/77/93/06/349779306.db2.gz SPQNQPLUNWWQES-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000602844997 349780888 /nfs/dbraw/zinc/78/08/88/349780888.db2.gz XAHOVXAQOGZTDK-AAEUAGOBSA-N 1 0 236.359 2.473 20 30 BEEDRO COc1ccc(C[C@H](C)[NH2+]CCC#N)cc1OC ZINC000020200164 187222451 /nfs/dbraw/zinc/22/24/51/187222451.db2.gz UNTVTKJKAZLYGF-NSHDSACASA-N 1 0 248.326 2.138 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000602847069 349782600 /nfs/dbraw/zinc/78/26/00/349782600.db2.gz RSXCLZOMRSZECD-CYBMUJFWSA-N 1 0 236.359 2.165 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000602807220 349770803 /nfs/dbraw/zinc/77/08/03/349770803.db2.gz QXRKDGPRRUUVIK-NWDGAFQWSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000352465584 136263810 /nfs/dbraw/zinc/26/38/10/136263810.db2.gz LNAWCINGGOKVED-GFCCVEGCSA-N 1 0 244.338 2.421 20 30 BEEDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000304387253 187224833 /nfs/dbraw/zinc/22/48/33/187224833.db2.gz ZYAZDOWRTRMKDD-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@@H]1CCC[N@H+](CC2(CC#N)CC2)[C@H]1CCO ZINC000602882726 349791871 /nfs/dbraw/zinc/79/18/71/349791871.db2.gz NEFOHVQQVQBHHE-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H](Nc1cnccc1C#N)C(C)(C)C[NH+](C)C ZINC000094166787 343053583 /nfs/dbraw/zinc/05/35/83/343053583.db2.gz MIVIHRLUHNYPML-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)CC2(CCC2)O1 ZINC000602849071 349784979 /nfs/dbraw/zinc/78/49/79/349784979.db2.gz HFTIOINCSUNQDH-LBPRGKRZSA-N 1 0 234.343 2.324 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336477916 136264112 /nfs/dbraw/zinc/26/41/12/136264112.db2.gz WKLYBWQWCKJQRN-ABXWRUBCSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@H]1C[NH+](CC2CC(C)(C)C2)C[C@H](C)N1CC#N ZINC000602851408 349786666 /nfs/dbraw/zinc/78/66/66/349786666.db2.gz VXDCGLNGALVESG-STQMWFEESA-N 1 0 249.402 2.341 20 30 BEEDRO COCC1(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000340443040 536820118 /nfs/dbraw/zinc/82/01/18/536820118.db2.gz GANBJXOWOBZXAH-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CC1(C#N)CC1 ZINC000352884113 136265232 /nfs/dbraw/zinc/26/52/32/136265232.db2.gz KYROKRKXKPVAGP-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000580034239 343066939 /nfs/dbraw/zinc/06/69/39/343066939.db2.gz HKZSQKZHVLECQY-VXGBXAGGSA-N 1 0 247.404 2.144 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCn1cccn1 ZINC000449472124 259349329 /nfs/dbraw/zinc/34/93/29/259349329.db2.gz DYNKXNWAIHBPAZ-LBPRGKRZSA-N 1 0 207.321 2.218 20 30 BEEDRO C=C(C)C[N@H+](CC)CCn1nc(C)cc1C ZINC000069219898 343119139 /nfs/dbraw/zinc/11/91/39/343119139.db2.gz KFGKIAFWEKUTDU-UHFFFAOYSA-N 1 0 221.348 2.398 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC(=O)N1CCC[C@H]1C ZINC000075617723 343119302 /nfs/dbraw/zinc/11/93/02/343119302.db2.gz VHZAFGZDCOPJIX-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H](CO)C1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602864962 349796885 /nfs/dbraw/zinc/79/68/85/349796885.db2.gz LWEAGVYDLSJXBM-GFCCVEGCSA-N 1 0 236.359 2.021 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000265403956 187234915 /nfs/dbraw/zinc/23/49/15/187234915.db2.gz BCWVBJVGSFWPLC-ZDUSSCGKSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@H](CCc1ccco1)[NH2+]C[C@H](C)C#N ZINC000049566338 343112662 /nfs/dbraw/zinc/11/26/62/343112662.db2.gz UNLFGNGGOUNXEX-GHMZBOCLSA-N 1 0 206.289 2.350 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)CCc1ccco1 ZINC000049566336 343112718 /nfs/dbraw/zinc/11/27/18/343112718.db2.gz UNLFGNGGOUNXEX-MNOVXSKESA-N 1 0 206.289 2.350 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000305069015 136269627 /nfs/dbraw/zinc/26/96/27/136269627.db2.gz ISXWPUGLBVPXAZ-FRRDWIJNSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000264449724 187235293 /nfs/dbraw/zinc/23/52/93/187235293.db2.gz HVSPWLBIHAFCNM-AWEZNQCLSA-N 1 0 247.338 2.078 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000449522060 259351470 /nfs/dbraw/zinc/35/14/70/259351470.db2.gz VNSGSZBQWQVCJS-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C1 ZINC000185842056 136270457 /nfs/dbraw/zinc/27/04/57/136270457.db2.gz LMOYSCOSIQFAAI-DGAVXFQQSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[C@H]([NH2+]Cc1cncn1C)c1ccccc1 ZINC000270216409 187236911 /nfs/dbraw/zinc/23/69/11/187236911.db2.gz OUBJLZNSVFBGHJ-HNNXBMFYSA-N 1 0 239.322 2.274 20 30 BEEDRO C=C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000271878150 187237241 /nfs/dbraw/zinc/23/72/41/187237241.db2.gz BKWVUQYGHIZPBJ-HUUCEWRRSA-N 1 0 229.323 2.297 20 30 BEEDRO N#CCCOCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000339014442 136271100 /nfs/dbraw/zinc/27/11/00/136271100.db2.gz SSHMBXMJDHGKRL-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)N(C)C)C1CC1 ZINC000125320436 136271463 /nfs/dbraw/zinc/27/14/63/136271463.db2.gz NKVIEMSTHUGOFH-YPMHNXCESA-N 1 0 210.365 2.271 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC([NH3+])(CC)CC ZINC000576952724 365731321 /nfs/dbraw/zinc/73/13/21/365731321.db2.gz JJZGBGVBEVFSBW-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000296007708 187242019 /nfs/dbraw/zinc/24/20/19/187242019.db2.gz LIAREVMGIIWGLP-UHFFFAOYSA-N 1 0 234.299 2.200 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc2ccccc2n1C ZINC000013807937 187243094 /nfs/dbraw/zinc/24/30/94/187243094.db2.gz BQBCLXYVZWZAKK-UHFFFAOYSA-N 1 0 212.296 2.243 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCCC1CCOCC1 ZINC000602870035 349800694 /nfs/dbraw/zinc/80/06/94/349800694.db2.gz KDUCPLZVIALIPJ-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(C)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000336436636 136276433 /nfs/dbraw/zinc/27/64/33/136276433.db2.gz NPJBRAWFFSYJFF-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@@H](CC#N)NCc1cc(O)ccc1Cl ZINC000602871276 349802589 /nfs/dbraw/zinc/80/25/89/349802589.db2.gz PPVYGUHWNXWTTL-QMMMGPOBSA-N 1 0 224.691 2.437 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC(C)(C)[NH+](C)C)n1 ZINC000048322108 343242578 /nfs/dbraw/zinc/24/25/78/343242578.db2.gz WQBMNROQRIPOIW-UHFFFAOYSA-N 1 0 246.358 2.322 20 30 BEEDRO CC(C)CCN(CCC#N)CCOCCC#N ZINC000339009694 136279946 /nfs/dbraw/zinc/27/99/46/136279946.db2.gz GIYSYQUNYZWBGO-UHFFFAOYSA-N 1 0 237.347 2.178 20 30 BEEDRO C[N@H+](CCOCC1CC1)[C@H]1CC[C@H](C#N)C1 ZINC000339011249 136280028 /nfs/dbraw/zinc/28/00/28/136280028.db2.gz CQJPMXINTQECFH-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO COC[C@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000343511621 343251093 /nfs/dbraw/zinc/25/10/93/343251093.db2.gz LUAPAKQXYKMWKO-HNNXBMFYSA-N 1 0 244.338 2.115 20 30 BEEDRO C=CCOCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000339012071 136280138 /nfs/dbraw/zinc/28/01/38/136280138.db2.gz HVFDIAWPCVANJX-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C[C@@H]1[C@@H](Nc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343542927 343252986 /nfs/dbraw/zinc/25/29/86/343252986.db2.gz SPBREVQAPXFWBO-RISCZKNCSA-N 1 0 229.327 2.453 20 30 BEEDRO C=CCCCCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641043493 362154373 /nfs/dbraw/zinc/15/43/73/362154373.db2.gz CJXYSPAVNRDCKU-ZDUSSCGKSA-N 1 0 248.374 2.177 20 30 BEEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418702565 192062275 /nfs/dbraw/zinc/06/22/75/192062275.db2.gz QEEDXHWJSBRHKO-NEPJUHHUSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCCCCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641047359 362157822 /nfs/dbraw/zinc/15/78/22/362157822.db2.gz VPRLJNBBDJSNRR-ZDUSSCGKSA-N 1 0 248.374 2.492 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cc[nH]c(=O)c1 ZINC000340450609 136289776 /nfs/dbraw/zinc/28/97/76/136289776.db2.gz VJTPLXGXRVXIHS-HOSYDEDBSA-N 1 0 231.299 2.130 20 30 BEEDRO C=CCCCCCn1cc(CC[NH+](C)C)nn1 ZINC000641047959 362159029 /nfs/dbraw/zinc/15/90/29/362159029.db2.gz WPDZVSFJLKQLLJ-UHFFFAOYSA-N 1 0 236.363 2.129 20 30 BEEDRO C[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000034077110 343264323 /nfs/dbraw/zinc/26/43/23/343264323.db2.gz SPPTXFBBJQUHIS-UHFFFAOYSA-N 1 0 218.300 2.049 20 30 BEEDRO Cc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)nn1C ZINC000296355539 136290814 /nfs/dbraw/zinc/29/08/14/136290814.db2.gz IMKNONGEAMLGMH-AVGNSLFASA-N 1 0 246.358 2.462 20 30 BEEDRO C=CCCCCCN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418702570 192062572 /nfs/dbraw/zinc/06/25/72/192062572.db2.gz QEEDXHWJSBRHKO-VXGBXAGGSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000353626164 136291989 /nfs/dbraw/zinc/29/19/89/136291989.db2.gz XNMCAOCQOYYKCN-QWHCGFSZSA-N 1 0 234.343 2.225 20 30 BEEDRO CC#CC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000119815695 136292285 /nfs/dbraw/zinc/29/22/85/136292285.db2.gz MNJMAPNJFCKINT-CYBMUJFWSA-N 1 0 202.301 2.488 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C#N)c(OC)c1 ZINC000282500484 136286291 /nfs/dbraw/zinc/28/62/91/136286291.db2.gz YBRGERYRRKZVRN-UHFFFAOYSA-N 1 0 228.295 2.022 20 30 BEEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418702569 192062251 /nfs/dbraw/zinc/06/22/51/192062251.db2.gz QEEDXHWJSBRHKO-RYUDHWBXSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621373939 343321396 /nfs/dbraw/zinc/32/13/96/343321396.db2.gz QXZFRHBAEMGOAG-OLZOCXBDSA-N 1 0 211.349 2.293 20 30 BEEDRO N#CCCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000609140500 343317399 /nfs/dbraw/zinc/31/73/99/343317399.db2.gz UFNLPMRRBXPMKK-UHFFFAOYSA-N 1 0 228.299 2.346 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCOC1CCOCC1 ZINC000625377789 343363141 /nfs/dbraw/zinc/36/31/41/343363141.db2.gz ZPGLLDZIAPWDSO-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000077655970 343370902 /nfs/dbraw/zinc/37/09/02/343370902.db2.gz QSBXMGJYTYGYDM-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000348837604 136302030 /nfs/dbraw/zinc/30/20/30/136302030.db2.gz IOTGXZRIHZIFHB-SECBINFHSA-N 1 0 224.329 2.086 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000165444627 343350034 /nfs/dbraw/zinc/35/00/34/343350034.db2.gz MPVGAUBIPZYIAH-CQSZACIVSA-N 1 0 244.338 2.071 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H]1CCCO1 ZINC000165452870 343353154 /nfs/dbraw/zinc/35/31/54/343353154.db2.gz OPZPNYLXWPIDFG-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343605626 536874822 /nfs/dbraw/zinc/87/48/22/536874822.db2.gz OXNHLNXSBHKCKC-NWDGAFQWSA-N 1 0 232.327 2.114 20 30 BEEDRO CC(C)[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000035216115 187258160 /nfs/dbraw/zinc/25/81/60/187258160.db2.gz KJIJIDCPNSLRND-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCO1)CC2 ZINC000335674775 136317906 /nfs/dbraw/zinc/31/79/06/136317906.db2.gz TYAWVUMLRHOQFZ-DZGCQCFKSA-N 1 0 242.322 2.314 20 30 BEEDRO C=C(C)CCn1cc([C@@H]([NH3+])CCC)nn1 ZINC000641070147 362179366 /nfs/dbraw/zinc/17/93/66/362179366.db2.gz XPSYKDDZIHIRHD-JTQLQIEISA-N 1 0 208.309 2.044 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C#N)o1 ZINC000344584911 343422148 /nfs/dbraw/zinc/42/21/48/343422148.db2.gz WMHZWMVULUDNIC-GHMZBOCLSA-N 1 0 236.315 2.038 20 30 BEEDRO C[C@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCCN1C ZINC000344340851 343396886 /nfs/dbraw/zinc/39/68/86/343396886.db2.gz ZTEMFQUOFNMVOM-WFASDCNBSA-N 1 0 243.354 2.131 20 30 BEEDRO C#CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000299214230 343398031 /nfs/dbraw/zinc/39/80/31/343398031.db2.gz FQDVJSGAQIXHID-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC3(C2)CCOCC3)CC1 ZINC000310283484 343411709 /nfs/dbraw/zinc/41/17/09/343411709.db2.gz YTHZGWNEICEXIF-UHFFFAOYSA-N 1 0 234.343 2.183 20 30 BEEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1O ZINC000349365470 136343218 /nfs/dbraw/zinc/34/32/18/136343218.db2.gz IBHROFSTENZJEW-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000335680498 136328829 /nfs/dbraw/zinc/32/88/29/136328829.db2.gz VDFJHKBWOXGRLP-GHMZBOCLSA-N 1 0 249.383 2.144 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000174428862 259360838 /nfs/dbraw/zinc/36/08/38/259360838.db2.gz JRLOUILTLPTYCP-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1(c2ccccn2)CC[NH+](CC2CC2)CC1 ZINC000335703366 136335002 /nfs/dbraw/zinc/33/50/02/136335002.db2.gz NAVUYUUQUXWENB-UHFFFAOYSA-N 1 0 241.338 2.349 20 30 BEEDRO C=C(C)CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000335704775 136335379 /nfs/dbraw/zinc/33/53/79/136335379.db2.gz RKXQSIXTDGQMQT-VXGBXAGGSA-N 1 0 227.373 2.159 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000335717650 136340048 /nfs/dbraw/zinc/34/00/48/136340048.db2.gz QZBOSZUCDLIAQN-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO C[C@H]1COCCN(Cc2cccc(F)c2C#N)C1 ZINC000335877517 136356498 /nfs/dbraw/zinc/35/64/98/136356498.db2.gz QDDLBPSFYWGAAJ-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO C[C@@H]1COCCN(Cc2cccc(F)c2C#N)C1 ZINC000335877518 136356636 /nfs/dbraw/zinc/35/66/36/136356636.db2.gz QDDLBPSFYWGAAJ-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO C=C(C)CN(C)Cc1cn(-c2ccccc2)nn1 ZINC000351099632 136367677 /nfs/dbraw/zinc/36/76/77/136367677.db2.gz LMBSFEQLPCESNQ-UHFFFAOYSA-N 1 0 242.326 2.275 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cccnc1 ZINC000274561547 136375391 /nfs/dbraw/zinc/37/53/91/136375391.db2.gz YUNXWVVRZZZICL-LOWVWBTDSA-N 1 0 215.300 2.424 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1 ZINC000290009821 136375485 /nfs/dbraw/zinc/37/54/85/136375485.db2.gz ZRNCZKASMZQLFD-OCCSQVGLSA-N 1 0 219.328 2.144 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000580548437 365750487 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ZINC000602980135 349845457 /nfs/dbraw/zinc/84/54/57/349845457.db2.gz MKBRSQHWUFRPDT-MQYQWHSLSA-N 1 0 236.359 2.426 20 30 BEEDRO [NH2+]=C(NCCC1=CCCC1)Nc1ccccn1 ZINC000178841382 346967218 /nfs/dbraw/zinc/96/72/18/346967218.db2.gz JEYLHNDGYPYQNT-UHFFFAOYSA-N 1 0 230.315 2.309 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCCn2nccc21 ZINC000603030186 349859887 /nfs/dbraw/zinc/85/98/87/349859887.db2.gz SMRNGIQRNRKQIM-LLVKDONJSA-N 1 0 232.331 2.247 20 30 BEEDRO C=CC[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000625699897 344038597 /nfs/dbraw/zinc/03/85/97/344038597.db2.gz DQPITSVADRTKOJ-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CCN(Cc2noc(CCC)n2)C1 ZINC000625699673 344038806 /nfs/dbraw/zinc/03/88/06/344038806.db2.gz CJHVPZMOSACNKB-LLVKDONJSA-N 1 0 235.331 2.420 20 30 BEEDRO C[N@H+](CCCCO)CC(C)(C)CCC#N ZINC000471815626 529885115 /nfs/dbraw/zinc/88/51/15/529885115.db2.gz KCZNPKIJEHWGHO-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C=CC[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000625699898 344039055 /nfs/dbraw/zinc/03/90/55/344039055.db2.gz DQPITSVADRTKOJ-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000625701260 344041380 /nfs/dbraw/zinc/04/13/80/344041380.db2.gz IALJRTRISCKUDI-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@](C)(O)COC)C1 ZINC000651818837 537823408 /nfs/dbraw/zinc/82/34/08/537823408.db2.gz HIGITQJFEVUIDD-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000625700649 344040305 /nfs/dbraw/zinc/04/03/05/344040305.db2.gz DNNAOOMFIRYLJW-LLVKDONJSA-N 1 0 234.299 2.275 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCO[C@@H]2CCCCO2)C1 ZINC000625700604 344040356 /nfs/dbraw/zinc/04/03/56/344040356.db2.gz CRFCMVXFHSKMRB-UONOGXRCSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000625700800 344040499 /nfs/dbraw/zinc/04/04/99/344040499.db2.gz MISQGOVHTGSZBX-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000625701216 344041103 /nfs/dbraw/zinc/04/11/03/344041103.db2.gz PGOSTHYWFHQCDM-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO CNC(=[NH2+])NCC1(Cc2ccccc2)CCCC1 ZINC000179852662 347000110 /nfs/dbraw/zinc/00/01/10/347000110.db2.gz XIKWSGHTSDNFHK-UHFFFAOYSA-N 1 0 245.370 2.324 20 30 BEEDRO C[C@@H]1C[C@@H](C)CN(Cc2nc(C#N)cs2)C1 ZINC000334505652 343888552 /nfs/dbraw/zinc/88/85/52/343888552.db2.gz YEOAMLZZCCDINH-NXEZZACHSA-N 1 0 235.356 2.493 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCC[C@H]1CCOC1 ZINC000402145615 349887401 /nfs/dbraw/zinc/88/74/01/349887401.db2.gz LPLNDVPKABJOEU-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCCO[C@@H](CF)C2)c1 ZINC000334646562 343896391 /nfs/dbraw/zinc/89/63/91/343896391.db2.gz LRPJWAYQNHTHCN-AWEZNQCLSA-N 1 0 248.301 2.119 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1C ZINC000334739218 343902886 /nfs/dbraw/zinc/90/28/86/343902886.db2.gz RITAEJQIGHWYMJ-SWLSCSKDSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC000334740385 343904887 /nfs/dbraw/zinc/90/48/87/343904887.db2.gz VWULGFSZONVJFH-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@H](O)C2(C)C)ccc1C#N ZINC000334748197 343904947 /nfs/dbraw/zinc/90/49/47/343904947.db2.gz KXTPZATYONGGPG-AWEZNQCLSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1nnsc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000293778041 343938146 /nfs/dbraw/zinc/93/81/46/343938146.db2.gz TUNDLPWUXAJNSP-ZJUUUORDSA-N 1 0 236.344 2.019 20 30 BEEDRO Cc1csc(CC[NH2+]Cc2ccc(C#N)o2)n1 ZINC000135146663 343945156 /nfs/dbraw/zinc/94/51/56/343945156.db2.gz BSZZYDNVVNPURM-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ncnn2C(C)C)C1 ZINC000625701294 344042406 /nfs/dbraw/zinc/04/24/06/344042406.db2.gz ILABHTSREGEEOC-LBPRGKRZSA-N 1 0 234.347 2.257 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCOCC2CC2)C1 ZINC000625701386 344042926 /nfs/dbraw/zinc/04/29/26/344042926.db2.gz QQYMOJQTUFOUOS-GFCCVEGCSA-N 1 0 209.333 2.311 20 30 BEEDRO CC1(C)CN(CCC#N)CC2(CCCC2)O1 ZINC000335883579 344043323 /nfs/dbraw/zinc/04/33/23/344043323.db2.gz KLSNGPMWHBGVPY-UHFFFAOYSA-N 1 0 222.332 2.324 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC2(F)CCC2)n1 ZINC000602662930 343949027 /nfs/dbraw/zinc/94/90/27/343949027.db2.gz CEYWHMJPNRJDQC-UHFFFAOYSA-N 1 0 233.290 2.325 20 30 BEEDRO CC[N@H+](C)CCNc1snc(Cl)c1C#N ZINC000092623465 343960400 /nfs/dbraw/zinc/96/04/00/343960400.db2.gz VJTNDSXSGWQBMJ-UHFFFAOYSA-N 1 0 244.751 2.032 20 30 BEEDRO C=CCCC[C@H](C)n1cc([C@H](C)[NH2+]C)nn1 ZINC000641234840 362288447 /nfs/dbraw/zinc/28/84/47/362288447.db2.gz VVEJNQVECJPKME-QWRGUYRKSA-N 1 0 222.336 2.476 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC000625703026 344047520 /nfs/dbraw/zinc/04/75/20/344047520.db2.gz PYCUVEFXKPVRGZ-GFCCVEGCSA-N 1 0 234.347 2.004 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000625702703 344047688 /nfs/dbraw/zinc/04/76/88/344047688.db2.gz OLOQXVAZRTUOPA-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000625703241 344048175 /nfs/dbraw/zinc/04/81/75/344048175.db2.gz RNSBDVGYMXJQOU-WDEREUQCSA-N 1 0 231.286 2.309 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000625704289 344049047 /nfs/dbraw/zinc/04/90/47/344049047.db2.gz HVAYNPPVNYJNSA-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(CC)cc(=O)[nH]2)C1 ZINC000625705572 344050185 /nfs/dbraw/zinc/05/01/85/344050185.db2.gz WAFMCTWFRUHOKB-NSHDSACASA-N 1 0 247.342 2.143 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCC(=O)NCCC)C1 ZINC000625701529 344052170 /nfs/dbraw/zinc/05/21/70/344052170.db2.gz KKYSGOQEIJGLQV-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C1 ZINC000625701993 344052731 /nfs/dbraw/zinc/05/27/31/344052731.db2.gz MJMNVMVNTJJTJF-LBPRGKRZSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348104952 537838360 /nfs/dbraw/zinc/83/83/60/537838360.db2.gz FJIGHEKYINQZIN-GJZGRUSLSA-N 1 0 234.387 2.415 20 30 BEEDRO C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC000251593336 344081234 /nfs/dbraw/zinc/08/12/34/344081234.db2.gz BKPYQIPAIATIKN-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1CC(=O)OC ZINC000097209110 344095608 /nfs/dbraw/zinc/09/56/08/344095608.db2.gz HJQRTQYNHBYJDM-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(Cl)CNCc1ccc(OC)c(O)c1 ZINC000125917248 344165950 /nfs/dbraw/zinc/16/59/50/344165950.db2.gz VYXKMVVDRXGQMS-UHFFFAOYSA-N 1 0 227.691 2.243 20 30 BEEDRO COc1ccc2c(c1)CC[N@@H+](CCCC#N)CC2 ZINC000363472929 344134769 /nfs/dbraw/zinc/13/47/69/344134769.db2.gz WGVUUJUYWKAJFM-UHFFFAOYSA-N 1 0 244.338 2.400 20 30 BEEDRO NC(=[NH2+])NCCCc1ccc(Cl)cc1Cl ZINC000081781565 344148190 /nfs/dbraw/zinc/14/81/90/344148190.db2.gz CTLILIQCRTUSJB-UHFFFAOYSA-N 1 0 246.141 2.199 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000152945286 166202827 /nfs/dbraw/zinc/20/28/27/166202827.db2.gz BGBKKCRISXYSEE-UHFFFAOYSA-N 1 0 241.306 2.421 20 30 BEEDRO N#CCCCCN(CC(F)F)C1CC1 ZINC000106873041 347035162 /nfs/dbraw/zinc/03/51/62/347035162.db2.gz LQZPGHBFYLDQOW-UHFFFAOYSA-N 1 0 202.248 2.410 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cncs1 ZINC000130023076 344217798 /nfs/dbraw/zinc/21/77/98/344217798.db2.gz LCTBRFHICDNAHG-SECBINFHSA-N 1 0 226.370 2.160 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634757478 344220952 /nfs/dbraw/zinc/22/09/52/344220952.db2.gz SWSHTVFFKFGSRO-GHMZBOCLSA-N 1 0 231.286 2.144 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000130708778 344224361 /nfs/dbraw/zinc/22/43/61/344224361.db2.gz VQCOKHBCXLLSCH-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000130792452 344225520 /nfs/dbraw/zinc/22/55/20/344225520.db2.gz COLGUDZSHSGWPY-UHFFFAOYSA-N 1 0 237.372 2.278 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000126829091 344184226 /nfs/dbraw/zinc/18/42/26/344184226.db2.gz KKGBIFMLQIMQSF-SNVBAGLBSA-N 1 0 237.372 2.276 20 30 BEEDRO CCOCC[N@H+](C)CCCC(C)(C)C#N ZINC000127376050 344190653 /nfs/dbraw/zinc/19/06/53/344190653.db2.gz YYQHLSAAFCMVEC-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000234768287 344247216 /nfs/dbraw/zinc/24/72/16/344247216.db2.gz QURMJTMHVXXSBA-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000132041703 344268808 /nfs/dbraw/zinc/26/88/08/344268808.db2.gz ZYKVOQJOUMMASQ-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000234812633 344269200 /nfs/dbraw/zinc/26/92/00/344269200.db2.gz ALJOBCOBNKUJGV-WDEREUQCSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000234837875 344274110 /nfs/dbraw/zinc/27/41/10/344274110.db2.gz SIPGGQUKGNRWRN-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC1(C)C[C@H](O)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000395419463 344282252 /nfs/dbraw/zinc/28/22/52/344282252.db2.gz YMLLTRXQQUOJOT-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CC)COC)cc1 ZINC000290482445 344313754 /nfs/dbraw/zinc/31/37/54/344313754.db2.gz VJGCLNDTHMNSON-CQSZACIVSA-N 1 0 217.312 2.183 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600735479 344365216 /nfs/dbraw/zinc/36/52/16/344365216.db2.gz JRHIGGFZXOLESF-AVGNSLFASA-N 1 0 236.359 2.065 20 30 BEEDRO CC(F)(F)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600737792 344366062 /nfs/dbraw/zinc/36/60/62/344366062.db2.gz FMEVYDLRFNRECE-SNVBAGLBSA-N 1 0 246.301 2.066 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738758 344366414 /nfs/dbraw/zinc/36/64/14/344366414.db2.gz KOVULQWRPUZANT-GFCCVEGCSA-N 1 0 236.359 2.233 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738759 344366444 /nfs/dbraw/zinc/36/64/44/344366444.db2.gz KOVULQWRPUZANT-LBPRGKRZSA-N 1 0 236.359 2.233 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600742128 344367294 /nfs/dbraw/zinc/36/72/94/344367294.db2.gz ATQCVDULLPRMGS-GFCCVEGCSA-N 1 0 236.359 2.233 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600742129 344367429 /nfs/dbraw/zinc/36/74/29/344367429.db2.gz ATQCVDULLPRMGS-LBPRGKRZSA-N 1 0 236.359 2.233 20 30 BEEDRO Cc1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cc1 ZINC000600713094 344361796 /nfs/dbraw/zinc/36/17/96/344361796.db2.gz DQNHKEWMCSTUGC-AWEZNQCLSA-N 1 0 244.338 2.139 20 30 BEEDRO CCC[C@@H](CC)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723595 344363192 /nfs/dbraw/zinc/36/31/92/344363192.db2.gz XQWRJUQIWCQAQQ-NEPJUHHUSA-N 1 0 224.348 2.209 20 30 BEEDRO CCCC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600729869 344364110 /nfs/dbraw/zinc/36/41/10/344364110.db2.gz ISFJFUQUXWLAMW-LBPRGKRZSA-N 1 0 236.359 2.211 20 30 BEEDRO CCC(C)(C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600732458 344364504 /nfs/dbraw/zinc/36/45/04/344364504.db2.gz AQZWAGUTAYVDAC-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600749689 344368456 /nfs/dbraw/zinc/36/84/56/344368456.db2.gz RDUSGRUUMQKYSP-STQMWFEESA-N 1 0 236.359 2.065 20 30 BEEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CCC#N ZINC000600757193 344369191 /nfs/dbraw/zinc/36/91/91/344369191.db2.gz KZABMESDLRCZGP-QWHCGFSZSA-N 1 0 200.285 2.354 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000600763373 344369762 /nfs/dbraw/zinc/36/97/62/344369762.db2.gz UXHMGVXQUJKHNJ-KGLIPLIRSA-N 1 0 248.370 2.377 20 30 BEEDRO N#CC1(C[NH2+]CC2(O)CCCC2)CCCCC1 ZINC000600752621 344370429 /nfs/dbraw/zinc/37/04/29/344370429.db2.gz FUDOOLQBOSFPSX-UHFFFAOYSA-N 1 0 236.359 2.355 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cnn(CC#N)c2)c1 ZINC000600778381 344371240 /nfs/dbraw/zinc/37/12/40/344371240.db2.gz XPKORSFVWIEBOW-UHFFFAOYSA-N 1 0 240.310 2.135 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162587840 133521354 /nfs/dbraw/zinc/52/13/54/133521354.db2.gz RCUFVQHDIJPOLH-AEJSXWLSSA-N 1 0 215.724 2.142 20 30 BEEDRO C=CCOc1cccc(NC(=O)C[NH2+]C(C)C)c1 ZINC000066215536 537846805 /nfs/dbraw/zinc/84/68/05/537846805.db2.gz XOUDJFLRIPLSSN-UHFFFAOYSA-N 1 0 248.326 2.188 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135496629 344483311 /nfs/dbraw/zinc/48/33/11/344483311.db2.gz UUIWYAQUSXLDPN-RKDXNWHRSA-N 1 0 206.314 2.365 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000135501822 344485215 /nfs/dbraw/zinc/48/52/15/344485215.db2.gz KKRMQOBCQHCRCV-LBPRGKRZSA-N 1 0 238.356 2.380 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCO1 ZINC000310004677 344494184 /nfs/dbraw/zinc/49/41/84/344494184.db2.gz GDNGEYSKHMNQJM-QNWHQSFQSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]CC1(CC#N)CC1)OC ZINC000381319456 344495613 /nfs/dbraw/zinc/49/56/13/344495613.db2.gz WBOMQQXYTVAHCR-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1csc(CC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000381405984 344501570 /nfs/dbraw/zinc/50/15/70/344501570.db2.gz SJNHFKQCFCESMI-QWRGUYRKSA-N 1 0 235.356 2.276 20 30 BEEDRO Cc1csc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000381405985 344501846 /nfs/dbraw/zinc/50/18/46/344501846.db2.gz SJNHFKQCFCESMI-WDEREUQCSA-N 1 0 235.356 2.276 20 30 BEEDRO Cn1cc(CC[NH2+]CCC#N)c2ccccc21 ZINC000258891389 344511889 /nfs/dbraw/zinc/51/18/89/344511889.db2.gz JMALWLHJBZHRDK-UHFFFAOYSA-N 1 0 227.311 2.224 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](O)COCC)CCCCC1 ZINC000625936325 344572731 /nfs/dbraw/zinc/57/27/31/344572731.db2.gz IELKDRXIOPCZGT-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](C)CCC1CCOCC1 ZINC000152348323 344524473 /nfs/dbraw/zinc/52/44/73/344524473.db2.gz ZWYZDPXNZLQCEQ-AWEZNQCLSA-N 1 0 241.375 2.062 20 30 BEEDRO COC[C@]1(C)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000381634273 344527844 /nfs/dbraw/zinc/52/78/44/344527844.db2.gz VVLAUWOFFWOBLW-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C[N@H+](CCCC#N)Cc1ccccc1O ZINC000109771643 344534073 /nfs/dbraw/zinc/53/40/73/344534073.db2.gz QTNXAWJNSUKTMO-UHFFFAOYSA-N 1 0 204.273 2.128 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](CC)CO)cc1 ZINC000151820129 187291710 /nfs/dbraw/zinc/29/17/10/187291710.db2.gz SQEGSLITGLAIMC-JSGCOSHPSA-N 1 0 247.338 2.120 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@H]1CCCCO1 ZINC000049579441 344654336 /nfs/dbraw/zinc/65/43/36/344654336.db2.gz HFMAXDFWURPIKY-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCSC(C)(C)C1 ZINC000305099599 344657944 /nfs/dbraw/zinc/65/79/44/344657944.db2.gz XEZRPJKMGZCYBQ-LLVKDONJSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000626002606 344662851 /nfs/dbraw/zinc/66/28/51/344662851.db2.gz QUFGKKPUCVDIGP-NSHDSACASA-N 1 0 201.285 2.013 20 30 BEEDRO FCC[C@H]1CN(CC#Cc2ccccc2)CCO1 ZINC000626004656 344666195 /nfs/dbraw/zinc/66/61/95/344666195.db2.gz LVMKJBBWPRRDTM-HNNXBMFYSA-N 1 0 247.313 2.099 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000626004581 344666334 /nfs/dbraw/zinc/66/63/34/344666334.db2.gz KQLLVNKRXPLNBH-LLVKDONJSA-N 1 0 201.285 2.013 20 30 BEEDRO C=C(CC)CN1CCO[C@H](CCF)C1 ZINC000626004394 344666372 /nfs/dbraw/zinc/66/63/72/344666372.db2.gz GIGISPJJGQTCMP-LLVKDONJSA-N 1 0 201.285 2.013 20 30 BEEDRO CC[N@H+](C[C@H](C#N)CCC#N)CC1CC1 ZINC000112560588 344646504 /nfs/dbraw/zinc/64/65/04/344646504.db2.gz NGVLEMAFJJTPJD-LBPRGKRZSA-N 1 0 205.305 2.162 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000260113711 344709946 /nfs/dbraw/zinc/70/99/46/344709946.db2.gz QLXYMNGKPLWOOI-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000075898104 344787644 /nfs/dbraw/zinc/78/76/44/344787644.db2.gz OMMNYGMMOPLKKH-CYBMUJFWSA-N 1 0 205.301 2.228 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCN(C)C)c1ccco1 ZINC000309496668 347077455 /nfs/dbraw/zinc/07/74/55/347077455.db2.gz YQDUEGXVSKWMHP-GFCCVEGCSA-N 1 0 222.332 2.438 20 30 BEEDRO N#Cc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccn1 ZINC000135616542 344804014 /nfs/dbraw/zinc/80/40/14/344804014.db2.gz CPFJTQBWYVMHOW-CHWSQXEVSA-N 1 0 227.311 2.185 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000678623554 488272914 /nfs/dbraw/zinc/27/29/14/488272914.db2.gz KNNGPJBXGIIKBP-CYBMUJFWSA-N 1 0 219.332 2.486 20 30 BEEDRO C[C@@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC#N)C1 ZINC000408466494 344825647 /nfs/dbraw/zinc/82/56/47/344825647.db2.gz LMLXPZWKPXKUKT-YPMHNXCESA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](c1cccnc1)[N@H+](C)CCCC#N ZINC000119800761 344865752 /nfs/dbraw/zinc/86/57/52/344865752.db2.gz QXQBANJKFUETJQ-NSHDSACASA-N 1 0 203.289 2.378 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000574512126 344880367 /nfs/dbraw/zinc/88/03/67/344880367.db2.gz JGCTVPIHSMDDOJ-CYBMUJFWSA-N 1 0 229.327 2.016 20 30 BEEDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235510143 344927507 /nfs/dbraw/zinc/92/75/07/344927507.db2.gz ZCNJKIYPGNRKOO-SWLSCSKDSA-N 1 0 243.354 2.351 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000247737276 187298437 /nfs/dbraw/zinc/29/84/37/187298437.db2.gz VQEHMRYFRDDFCP-SHTZXODSSA-N 1 0 244.338 2.199 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000308883935 166211261 /nfs/dbraw/zinc/21/12/61/166211261.db2.gz VEAHVNCQZRWAPS-PNESKVBLSA-N 1 0 207.317 2.090 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc(C)c1O ZINC000224926775 345044773 /nfs/dbraw/zinc/04/47/73/345044773.db2.gz JMJUBDQNDWRPOO-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C=C[C@@H](CO)Nc1cc[nH+]c(C)c1Cl ZINC000306147800 345054241 /nfs/dbraw/zinc/05/42/41/345054241.db2.gz AFGOFBZBNJEKJG-QMMMGPOBSA-N 1 0 212.680 2.002 20 30 BEEDRO Cc1cc(C)c(C#N)c(NC[C@H]2CCCC[NH2+]2)n1 ZINC000044493241 345096152 /nfs/dbraw/zinc/09/61/52/345096152.db2.gz PWZZHIKVKRUUQM-GFCCVEGCSA-N 1 0 244.342 2.124 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000303797530 534988152 /nfs/dbraw/zinc/98/81/52/534988152.db2.gz MTUWYUGBHXMDCL-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO CC#CCC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285377539 345144363 /nfs/dbraw/zinc/14/43/63/345144363.db2.gz COFBKQKNUSCRQG-UHFFFAOYSA-N 1 0 231.295 2.000 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000166449907 166211878 /nfs/dbraw/zinc/21/18/78/166211878.db2.gz HCPMIBBELDBDJT-SNVBAGLBSA-N 1 0 218.256 2.015 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)NCCC ZINC000449058425 201799630 /nfs/dbraw/zinc/79/96/30/201799630.db2.gz JAJVGKKMCHHDPV-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCCn2ccnc2)CC1 ZINC000449065942 201801079 /nfs/dbraw/zinc/80/10/79/201801079.db2.gz XRNSBYOVBZDYIU-UHFFFAOYSA-N 1 0 246.358 2.335 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(OC)ccc1OC ZINC000158302469 345318357 /nfs/dbraw/zinc/31/83/57/345318357.db2.gz XNZZOKSJDUWPFG-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccccc1 ZINC000247878587 345318454 /nfs/dbraw/zinc/31/84/54/345318454.db2.gz PCRYKSUDWJASAO-UHFFFAOYSA-N 1 0 205.301 2.321 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)c1nccn1C ZINC000132142487 345319044 /nfs/dbraw/zinc/31/90/44/345319044.db2.gz LBOAFRPAXPMOGB-NSHDSACASA-N 1 0 220.320 2.155 20 30 BEEDRO CC#CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000158333314 345321862 /nfs/dbraw/zinc/32/18/62/345321862.db2.gz DVPAHMKCXAPSSL-UHFFFAOYSA-N 1 0 243.354 2.053 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000158355379 345323151 /nfs/dbraw/zinc/32/31/51/345323151.db2.gz QRXDOVNWLWJNRF-UHFFFAOYSA-N 1 0 230.311 2.148 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(F)cc1F ZINC000133637389 345381575 /nfs/dbraw/zinc/38/15/75/345381575.db2.gz CMNIIXFDKCNFPP-UHFFFAOYSA-N 1 0 228.242 2.410 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000159186554 345414019 /nfs/dbraw/zinc/41/40/19/345414019.db2.gz HGCAFOJAZCOPDQ-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(C)(C)C ZINC000381347203 345432888 /nfs/dbraw/zinc/43/28/88/345432888.db2.gz ZKSYLLVCRJUSRG-AAEUAGOBSA-N 1 0 223.360 2.439 20 30 BEEDRO CC#CCCN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000159560739 345438044 /nfs/dbraw/zinc/43/80/44/345438044.db2.gz BDEACHAPQNEIEL-GFCCVEGCSA-N 1 0 237.343 2.206 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCN2CCC1CC2 ZINC000368045309 534995381 /nfs/dbraw/zinc/99/53/81/534995381.db2.gz VMGLTZRRPHYBLP-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CSCC[NH2+]Cc1cccc(C#N)c1 ZINC000070184579 345455504 /nfs/dbraw/zinc/45/55/04/345455504.db2.gz PCCLCCRVSQSRBP-UHFFFAOYSA-N 1 0 206.314 2.011 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000159752496 345511913 /nfs/dbraw/zinc/51/19/13/345511913.db2.gz IGCDBKUTVJYTDZ-CYBMUJFWSA-N 1 0 200.285 2.160 20 30 BEEDRO CC[C@](C)(C#N)C(=O)Nc1ccnc(C)c1 ZINC000136272741 345494731 /nfs/dbraw/zinc/49/47/31/345494731.db2.gz CNSQJXYLDHKAQO-GFCCVEGCSA-N 1 0 217.272 2.268 20 30 BEEDRO CCN(CCC#N)CCOc1ccccc1F ZINC000081054101 345460198 /nfs/dbraw/zinc/46/01/98/345460198.db2.gz PGZJEBKRFJLQCJ-UHFFFAOYSA-N 1 0 236.290 2.440 20 30 BEEDRO CCCCNC(=[NH2+])NCCc1ccc(C)cc1 ZINC000083151109 345508938 /nfs/dbraw/zinc/50/89/38/345508938.db2.gz CTWFVDQZQXKVHQ-UHFFFAOYSA-N 1 0 233.359 2.242 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449171555 201826916 /nfs/dbraw/zinc/82/69/16/201826916.db2.gz ANIWJRPMNQUPNI-OTTFEQOBSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])c1cn([C@@H]2CC[C@H](C#N)C2)nn1 ZINC000600973374 345546918 /nfs/dbraw/zinc/54/69/18/345546918.db2.gz NFKVGBPSGHHDDR-HOSYDEDBSA-N 1 0 247.346 2.189 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000090033959 345562966 /nfs/dbraw/zinc/56/29/66/345562966.db2.gz YRSILHHLSKFZPW-NEPJUHHUSA-N 1 0 248.374 2.346 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)CCC[NH3+] ZINC000159852483 345569692 /nfs/dbraw/zinc/56/96/92/345569692.db2.gz NTLPRNKYOHJTKI-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCN(CC)CC1 ZINC000091507520 345595600 /nfs/dbraw/zinc/59/56/00/345595600.db2.gz QMGIWAHMZAWJIO-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000091507644 345595610 /nfs/dbraw/zinc/59/56/10/345595610.db2.gz IXGQXWBSSGIVGB-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000091540741 345597083 /nfs/dbraw/zinc/59/70/83/345597083.db2.gz NGKXJSHIPGFRTI-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000091589146 345600409 /nfs/dbraw/zinc/60/04/09/345600409.db2.gz GNOACUMBVMISPK-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cnccc2C#N)C1 ZINC000091733657 345604210 /nfs/dbraw/zinc/60/42/10/345604210.db2.gz VZLVGMFEMVUCIN-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000093235392 345660615 /nfs/dbraw/zinc/66/06/15/345660615.db2.gz IAQHOAURYWAMKX-TZMCWYRMSA-N 1 0 234.343 2.402 20 30 BEEDRO C#CC[N@@H+](Cc1nc(C)ccc1O)C1CCCC1 ZINC000093819730 345665305 /nfs/dbraw/zinc/66/53/05/345665305.db2.gz GFVMBCVKRRZHLK-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C(=O)NC)C(C)C ZINC000449207818 201837493 /nfs/dbraw/zinc/83/74/93/201837493.db2.gz QKRVALUGRACGTQ-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO COCC[N@H+](CCC#N)[C@H]1CC[C@H](C)C1 ZINC000093099878 345656895 /nfs/dbraw/zinc/65/68/95/345656895.db2.gz XDQKWITZWFNEQU-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCC[N@H+](CC[C@@H]1CCCO1)CC1CC1 ZINC000189499284 259384600 /nfs/dbraw/zinc/38/46/00/259384600.db2.gz XENZGOSVQLDGTB-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cccnc1 ZINC000083853784 133561836 /nfs/dbraw/zinc/56/18/36/133561836.db2.gz QIXAWDOCUSVOMS-NSHDSACASA-N 1 0 215.300 2.426 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368081298 535007031 /nfs/dbraw/zinc/00/70/31/535007031.db2.gz LNNUIDNTIIFLJD-NSHDSACASA-N 1 0 246.358 2.187 20 30 BEEDRO C[C@H](Cc1ccoc1)[NH2+]CC(C)(C)C#N ZINC000449237810 201844693 /nfs/dbraw/zinc/84/46/93/201844693.db2.gz DEVLBBNLXKYPIR-SNVBAGLBSA-N 1 0 206.289 2.350 20 30 BEEDRO C=CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000070591842 345789325 /nfs/dbraw/zinc/78/93/25/345789325.db2.gz NJXSAFUQTYAUPZ-UHFFFAOYSA-N 1 0 220.272 2.303 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000289352281 166218987 /nfs/dbraw/zinc/21/89/87/166218987.db2.gz JHKZVADDFDGRLH-LBPRGKRZSA-N 1 0 203.285 2.140 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000168691053 537921223 /nfs/dbraw/zinc/92/12/23/537921223.db2.gz KEFMCEWNGDRSCG-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)nc1C)C(C)C ZINC000289596313 345953509 /nfs/dbraw/zinc/95/35/09/345953509.db2.gz UZPAJGGNYFKCTE-LBPRGKRZSA-N 1 0 220.291 2.277 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCC[C@@H]1CCOC1 ZINC000400949165 345931801 /nfs/dbraw/zinc/93/18/01/345931801.db2.gz WQWGHRONNSDZAM-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOCC12CCC2 ZINC000585727627 345982448 /nfs/dbraw/zinc/98/24/48/345982448.db2.gz HLZQZNZVCDUNMC-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)c1ccccn1)C(C)C ZINC000289610191 346014828 /nfs/dbraw/zinc/01/48/28/346014828.db2.gz VTBKZOCUMIIUFD-VXGBXAGGSA-N 1 0 202.301 2.390 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192140855 346080480 /nfs/dbraw/zinc/08/04/80/346080480.db2.gz LSJIOBNBRGLRPP-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000192140862 346080545 /nfs/dbraw/zinc/08/05/45/346080545.db2.gz LSJIOBNBRGLRPP-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635871878 346093016 /nfs/dbraw/zinc/09/30/16/346093016.db2.gz IIXIJTFZNOGEMV-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nccn1C ZINC000167249724 187364841 /nfs/dbraw/zinc/36/48/41/187364841.db2.gz UTAHFXDBXVMEHR-GHMZBOCLSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CCCCNC(=O)Cn1ccnc1C(C)C ZINC000635872297 346093583 /nfs/dbraw/zinc/09/35/83/346093583.db2.gz MWQYQDNKSUMNPO-UHFFFAOYSA-N 1 0 235.331 2.089 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000306359388 229555316 /nfs/dbraw/zinc/55/53/16/229555316.db2.gz CCHHPCCYTUNUFR-GARJFASQSA-N 1 0 210.346 2.164 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000628228056 346180698 /nfs/dbraw/zinc/18/06/98/346180698.db2.gz BJHZPAZSNMHKCI-UHFFFAOYSA-N 1 0 236.315 2.234 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000626160086 346181595 /nfs/dbraw/zinc/18/15/95/346181595.db2.gz ZSVSFIIZWALIDJ-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628231513 346183844 /nfs/dbraw/zinc/18/38/44/346183844.db2.gz RCEYZKCCCORHRE-NXEZZACHSA-N 1 0 233.302 2.194 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628231515 346183872 /nfs/dbraw/zinc/18/38/72/346183872.db2.gz RCEYZKCCCORHRE-VHSXEESVSA-N 1 0 233.302 2.194 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(SC)o1 ZINC000641745784 362667269 /nfs/dbraw/zinc/66/72/69/362667269.db2.gz BSGVMYUEABWDML-JTQLQIEISA-N 1 0 241.356 2.276 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641751129 362669747 /nfs/dbraw/zinc/66/97/47/362669747.db2.gz PQVIUZNXTREDNR-UHFFFAOYSA-N 1 0 231.299 2.324 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(SC)o1 ZINC000641746111 362672917 /nfs/dbraw/zinc/67/29/17/362672917.db2.gz MZKSGCKZVBIMMJ-UHFFFAOYSA-N 1 0 227.329 2.294 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccncc1N ZINC000641746273 362672991 /nfs/dbraw/zinc/67/29/91/362672991.db2.gz RILSTDQQNUZLNG-LLVKDONJSA-N 1 0 219.332 2.498 20 30 BEEDRO C=CCCCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636139048 346331144 /nfs/dbraw/zinc/33/11/44/346331144.db2.gz KSCYBNIRMPSRKF-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO Cc1cnc(CCN(C)[C@H](C)CC#N)c(C)c1 ZINC000401159084 346332016 /nfs/dbraw/zinc/33/20/16/346332016.db2.gz IEXOYXWIUUVRGP-CYBMUJFWSA-N 1 0 231.343 2.475 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000669378355 537967888 /nfs/dbraw/zinc/96/78/88/537967888.db2.gz AZXFWHUQOJSIGH-NSHDSACASA-N 1 0 215.300 2.328 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H](CO)CC(F)F)CC1 ZINC000603430350 349951648 /nfs/dbraw/zinc/95/16/48/349951648.db2.gz HCKIBTYUPKREMQ-YZRBJQDESA-N 1 0 246.301 2.065 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccccc1C1CC1 ZINC000641768996 362708558 /nfs/dbraw/zinc/70/85/58/362708558.db2.gz NKEVXLSKXLTXST-OAHLLOKOSA-N 1 0 243.350 2.428 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc(C)oc1C ZINC000289763536 346349967 /nfs/dbraw/zinc/34/99/67/346349967.db2.gz LTNYGCMSCAVAMQ-MWLCHTKSSA-N 1 0 209.289 2.094 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(C)sc1C ZINC000641767377 362701248 /nfs/dbraw/zinc/70/12/48/362701248.db2.gz JOLMMWGWTMJOAE-CYBMUJFWSA-N 1 0 237.368 2.229 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000641767770 362702929 /nfs/dbraw/zinc/70/29/29/362702929.db2.gz QSFAJCRYTDCMLC-QWHCGFSZSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1 ZINC000641769597 362703972 /nfs/dbraw/zinc/70/39/72/362703972.db2.gz VTYKJEYQCHLYNC-XMELGKRDSA-N 1 0 229.323 2.064 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc2ccccc2o1 ZINC000641769656 362703985 /nfs/dbraw/zinc/70/39/85/362703985.db2.gz XMGFISQPNUEUKQ-CYBMUJFWSA-N 1 0 243.306 2.297 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000641768275 362705783 /nfs/dbraw/zinc/70/57/83/362705783.db2.gz YSBQZJZRGHCODB-XJFOESAGSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccncc1N ZINC000603431488 349953436 /nfs/dbraw/zinc/95/34/36/349953436.db2.gz HGQQWAOLSHUDFM-UHFFFAOYSA-N 1 0 237.372 2.063 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCCCCC1 ZINC000641768705 362706705 /nfs/dbraw/zinc/70/67/05/362706705.db2.gz GJRZDGAILCIWIT-CYBMUJFWSA-N 1 0 209.333 2.073 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]CC1CCCCCC1 ZINC000641768584 362707298 /nfs/dbraw/zinc/70/72/98/362707298.db2.gz CSYXMPLRPGOYIR-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000360558152 166234255 /nfs/dbraw/zinc/23/42/55/166234255.db2.gz YQDPXUPHGVUZHI-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000291441124 346385893 /nfs/dbraw/zinc/38/58/93/346385893.db2.gz BWCLDGLVEQMOFW-MFKMUULPSA-N 1 0 223.291 2.066 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCSCc1ccccc1 ZINC000291599725 346399103 /nfs/dbraw/zinc/39/91/03/346399103.db2.gz QKJJQCJVYODRBI-ZDUSSCGKSA-N 1 0 237.368 2.056 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000289846636 346390903 /nfs/dbraw/zinc/39/09/03/346390903.db2.gz QFISEUPIIODZKU-PSASIEDQSA-N 1 0 227.254 2.162 20 30 BEEDRO C=CCCC[NH+]1CCC(n2cccn2)CC1 ZINC000363235531 166235122 /nfs/dbraw/zinc/23/51/22/166235122.db2.gz XGNVJDHOOGUXMH-UHFFFAOYSA-N 1 0 219.332 2.486 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000574952547 346439216 /nfs/dbraw/zinc/43/92/16/346439216.db2.gz VWLVDTGAHXKYKD-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2c(c1)OCO2 ZINC000182303772 347091592 /nfs/dbraw/zinc/09/15/92/347091592.db2.gz ZYDZZJLPNVKADP-SNVBAGLBSA-N 1 0 232.283 2.370 20 30 BEEDRO N#CCC[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000575059771 346469819 /nfs/dbraw/zinc/46/98/19/346469819.db2.gz JCPHLBGWFDDIMS-UHFFFAOYSA-N 1 0 244.338 2.046 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(N(C)C)s1 ZINC000449479718 201937021 /nfs/dbraw/zinc/93/70/21/201937021.db2.gz WAPZBBBGMXECJC-UHFFFAOYSA-N 1 0 225.361 2.265 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C#N)cn1 ZINC000574980837 346488275 /nfs/dbraw/zinc/48/82/75/346488275.db2.gz CPNNWWBKVRZICG-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000603437103 349968894 /nfs/dbraw/zinc/96/88/94/349968894.db2.gz IBKSCYPAFVREFG-QMAVJUDZSA-N 1 0 224.348 2.233 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)CSC ZINC000580182951 346625978 /nfs/dbraw/zinc/62/59/78/346625978.db2.gz MJSOSLAZVMPPES-GHMZBOCLSA-N 1 0 217.378 2.045 20 30 BEEDRO CSCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000300898338 346635491 /nfs/dbraw/zinc/63/54/91/346635491.db2.gz VNLLJGNOWKSOJR-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO Cc1nc(C)c(CN(CCC#N)C(C)C)o1 ZINC000589254821 346678825 /nfs/dbraw/zinc/67/88/25/346678825.db2.gz AHXZSXNLHDMVCL-UHFFFAOYSA-N 1 0 221.304 2.416 20 30 BEEDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000589344022 346691065 /nfs/dbraw/zinc/69/10/65/346691065.db2.gz MREPTWJNWPDLHM-MELADBBJSA-N 1 0 237.391 2.387 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181652924 346758599 /nfs/dbraw/zinc/75/85/99/346758599.db2.gz WKJBKSLPUPXVJP-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1C)[C@H](C)CO ZINC000590000459 346761161 /nfs/dbraw/zinc/76/11/61/346761161.db2.gz RMZODUPTTABGBH-GFCCVEGCSA-N 1 0 232.327 2.069 20 30 BEEDRO N#Cc1cccc(C[NH+]2CC(C3CC3)C2)c1 ZINC000589736707 346734721 /nfs/dbraw/zinc/73/47/21/346734721.db2.gz CHSHBCRMLQWQBS-UHFFFAOYSA-N 1 0 212.296 2.400 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000309579481 347108595 /nfs/dbraw/zinc/10/85/95/347108595.db2.gz PZJRCEKPMOUESH-ONGXEEELSA-N 1 0 237.368 2.434 20 30 BEEDRO CC(C)[N@H+](CCOCCC#N)Cc1ccccn1 ZINC000590154610 346781924 /nfs/dbraw/zinc/78/19/24/346781924.db2.gz LACYPDXFYHAEEH-UHFFFAOYSA-N 1 0 247.342 2.222 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000590169335 346786874 /nfs/dbraw/zinc/78/68/74/346786874.db2.gz QIKJIXMPECRDSL-KXUCPTDWSA-N 1 0 214.259 2.266 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC([C@H]3CCOC3)CC2)C1 ZINC000590173398 346787993 /nfs/dbraw/zinc/78/79/93/346787993.db2.gz HWBBFFFJPKHGLM-SNPRPXQTSA-N 1 0 248.370 2.427 20 30 BEEDRO Cc1ccncc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309699144 347135365 /nfs/dbraw/zinc/13/53/65/347135365.db2.gz MAPROUHXFIFDGE-AAEUAGOBSA-N 1 0 215.300 2.172 20 30 BEEDRO C=CCCCC[NH2+]Cc1nccn1CC ZINC000380090545 365875425 /nfs/dbraw/zinc/87/54/25/365875425.db2.gz MYEHNAFXMUZIBC-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=CCN1CC[C@H]([NH+]2CCC3(CCC3)CC2)C1=O ZINC000367626578 347153740 /nfs/dbraw/zinc/15/37/40/347153740.db2.gz PFUBRODHPOFORA-ZDUSSCGKSA-N 1 0 248.370 2.039 20 30 BEEDRO CN(Cc1ccc(C#N)cc1)C[C@H]1CCC[N@@H+]1C ZINC000092628404 347155950 /nfs/dbraw/zinc/15/59/50/347155950.db2.gz LVWZVYZEKDXDFG-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401581472 347157615 /nfs/dbraw/zinc/15/76/15/347157615.db2.gz KIVCDXUPWKJYGE-XHDPSFHLSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C[C@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000309670039 347132444 /nfs/dbraw/zinc/13/24/44/347132444.db2.gz JKVNYTMDRRIVLE-BRADTZPFSA-N 1 0 217.312 2.226 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000309670042 347132571 /nfs/dbraw/zinc/13/25/71/347132571.db2.gz JKVNYTMDRRIVLE-UQTJOTSZSA-N 1 0 217.312 2.226 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1([S@@](C)=O)CC1)C1CC1 ZINC000309905088 347198558 /nfs/dbraw/zinc/19/85/58/347198558.db2.gz JUTFCVBFPDBETI-MLGOLLRUSA-N 1 0 241.400 2.232 20 30 BEEDRO C[C@@H]1CC([NH+]2CCN(CCC#N)CC2)C[C@@H](C)C1 ZINC000601315764 347198885 /nfs/dbraw/zinc/19/88/85/347198885.db2.gz OTHDEILGHPXPCE-KBPBESRZSA-N 1 0 249.402 2.342 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000601321288 347201949 /nfs/dbraw/zinc/20/19/49/347201949.db2.gz OCZSRFYWJQFWFD-UPJWGTAASA-N 1 0 244.342 2.390 20 30 BEEDRO N#CCCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185505522 347203256 /nfs/dbraw/zinc/20/32/56/347203256.db2.gz ZPBNXASUESUGKS-UHFFFAOYSA-N 1 0 244.338 2.274 20 30 BEEDRO CC(C)(C#N)CCN1CC[NH+](C2CCC2)CC1 ZINC000309983083 347210066 /nfs/dbraw/zinc/21/00/66/347210066.db2.gz GKAFWDQPLSCQIN-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1nc(CCC)cs1 ZINC000309982164 347210104 /nfs/dbraw/zinc/21/01/04/347210104.db2.gz WOVJLWUIEICUTI-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)ccn1 ZINC000185711518 347210603 /nfs/dbraw/zinc/21/06/03/347210603.db2.gz VQSNPCHBOZAYPH-WCQYABFASA-N 1 0 245.326 2.262 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185712703 347210844 /nfs/dbraw/zinc/21/08/44/347210844.db2.gz TYOGONYTHRLXJG-NEPJUHHUSA-N 1 0 233.315 2.463 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185712689 347210989 /nfs/dbraw/zinc/21/09/89/347210989.db2.gz TYOGONYTHRLXJG-VXGBXAGGSA-N 1 0 233.315 2.463 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810253 347215991 /nfs/dbraw/zinc/21/59/91/347215991.db2.gz MCFQTMUNWLODES-QWHCGFSZSA-N 1 0 246.358 2.209 20 30 BEEDRO CC[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCO1 ZINC000310039368 347222748 /nfs/dbraw/zinc/22/27/48/347222748.db2.gz WYROPMIKKUOWMR-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000380710843 347252909 /nfs/dbraw/zinc/25/29/09/347252909.db2.gz MZADOZSPBHNGNF-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C[NH2+]C1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000310565402 347294038 /nfs/dbraw/zinc/29/40/38/347294038.db2.gz LNUQQXJDESQTET-UHFFFAOYSA-N 1 0 249.745 2.400 20 30 BEEDRO C#CCN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000364066338 347253935 /nfs/dbraw/zinc/25/39/35/347253935.db2.gz OJGGVQQBWRKKQU-GJZGRUSLSA-N 1 0 234.387 2.206 20 30 BEEDRO C#CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000364066327 347254517 /nfs/dbraw/zinc/25/45/17/347254517.db2.gz OJGGVQQBWRKKQU-CABCVRRESA-N 1 0 234.387 2.206 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000300844170 347269609 /nfs/dbraw/zinc/26/96/09/347269609.db2.gz KKSOKLBPDAAQKD-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[N@H+](CCC1(OC)CCC1)C[C@@H](C)C#N ZINC000310382024 347274350 /nfs/dbraw/zinc/27/43/50/347274350.db2.gz BERKXTCAJVPNBY-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000188204698 347275001 /nfs/dbraw/zinc/27/50/01/347275001.db2.gz OHKXSYJASPWUSX-MWLCHTKSSA-N 1 0 205.305 2.400 20 30 BEEDRO CC[NH+](CC)Cc1ccc(NC(=O)CC#N)cc1 ZINC000188346843 347278879 /nfs/dbraw/zinc/27/88/79/347278879.db2.gz NUHWLQOAUCVTAV-UHFFFAOYSA-N 1 0 245.326 2.381 20 30 BEEDRO C=CCC[N@H+]1CCSC[C@@H]1c1cnn(C)c1 ZINC000191205879 347344964 /nfs/dbraw/zinc/34/49/64/347344964.db2.gz HBGBQEMVMPMQSM-GFCCVEGCSA-N 1 0 237.372 2.086 20 30 BEEDRO CC#CC[N@@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000191468274 347352260 /nfs/dbraw/zinc/35/22/60/347352260.db2.gz FWGZCJJOTMWXRH-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO N#CC1(F)CC[NH+](CCCc2ccncc2)CC1 ZINC000352462268 136746788 /nfs/dbraw/zinc/74/67/88/136746788.db2.gz BNXXNGYIXBJKTQ-UHFFFAOYSA-N 1 0 247.317 2.342 20 30 BEEDRO C=CCCC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369675578 136748292 /nfs/dbraw/zinc/74/82/92/136748292.db2.gz GZGNODQFKZGRFM-UHFFFAOYSA-N 1 0 247.342 2.286 20 30 BEEDRO CC#CCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000336030404 347401306 /nfs/dbraw/zinc/40/13/06/347401306.db2.gz MENXPLRBQPWDKK-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364415276 347417680 /nfs/dbraw/zinc/41/76/80/347417680.db2.gz IYLCIXXSAUCHGG-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1cccnc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449491408 201943151 /nfs/dbraw/zinc/94/31/51/201943151.db2.gz GSPNKORTLYCUJE-CHWSQXEVSA-N 1 0 229.327 2.214 20 30 BEEDRO CC(C)[N@H+](CCC#N)C[C@@H]1CCSC1 ZINC000580686891 365879372 /nfs/dbraw/zinc/87/93/72/365879372.db2.gz MQQFGWRXXIJUOK-NSHDSACASA-N 1 0 212.362 2.364 20 30 BEEDRO CC#CCC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000364539285 347462340 /nfs/dbraw/zinc/46/23/40/347462340.db2.gz WQLCCJCDWLXIPD-UHFFFAOYSA-N 1 0 243.354 2.378 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)c1ccccc1C ZINC000380102923 365880785 /nfs/dbraw/zinc/88/07/85/365880785.db2.gz MKJCEGGDNKPJCK-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO CC[NH+](CC)CCNc1nc(C#N)ccc1C ZINC000590568617 347470316 /nfs/dbraw/zinc/47/03/16/347470316.db2.gz HWFDWXSUUFKDBD-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C=CC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000111259052 347473208 /nfs/dbraw/zinc/47/32/08/347473208.db2.gz CXAUIKWGILAYGC-UHFFFAOYSA-N 1 0 244.338 2.184 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCO[C@@H](C2CC2)C1 ZINC000590594895 347478810 /nfs/dbraw/zinc/47/88/10/347478810.db2.gz JXOITSHMZTUCQO-KWCYVHTRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](N)[C@@H](c2ccccc2)C1 ZINC000302323709 347516715 /nfs/dbraw/zinc/51/67/15/347516715.db2.gz FFSDORSFURIWCT-HUUCEWRRSA-N 1 0 230.355 2.379 20 30 BEEDRO CCC#C[C@H](C)N1CC[S@](=O)C(C)(C)CC1 ZINC000590760494 347523241 /nfs/dbraw/zinc/52/32/41/347523241.db2.gz CRXFCNRBAVYUQQ-LRDDRELGSA-N 1 0 241.400 2.021 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765008 347529909 /nfs/dbraw/zinc/52/99/09/347529909.db2.gz HCDYUDUEDVYZOX-WPLOAARJSA-N 1 0 249.354 2.082 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000571636762 323150233 /nfs/dbraw/zinc/15/02/33/323150233.db2.gz PGFHZVPEWRVEMI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCN1CCC[N@H+](CCC=C)CC1 ZINC000265868557 166263083 /nfs/dbraw/zinc/26/30/83/166263083.db2.gz YXWTZHCUKFRXTB-UHFFFAOYSA-N 1 0 208.349 2.146 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000591357608 347644547 /nfs/dbraw/zinc/64/45/47/347644547.db2.gz BZAHDELWFKKQDV-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCCOC(C)(C)C1 ZINC000591014600 347606247 /nfs/dbraw/zinc/60/62/47/347606247.db2.gz ZDHGHQUJNSWPNW-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H]([NH3+])CN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000591581370 347677556 /nfs/dbraw/zinc/67/75/56/347677556.db2.gz RWKDMQGJZGRBCI-XHDPSFHLSA-N 1 0 243.354 2.263 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759392 347691773 /nfs/dbraw/zinc/69/17/73/347691773.db2.gz LSJCZBQMZDRXDE-GXTWGEPZSA-N 1 0 246.354 2.290 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000590779217 347696585 /nfs/dbraw/zinc/69/65/85/347696585.db2.gz FAWAZIFKQISFES-USWWRNFRSA-N 1 0 232.331 2.451 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000590779216 347696668 /nfs/dbraw/zinc/69/66/68/347696668.db2.gz FAWAZIFKQISFES-DLOVCJGASA-N 1 0 232.331 2.451 20 30 BEEDRO N#CCC[NH2+]C1CCC(OC(F)F)CC1 ZINC000591770433 347698032 /nfs/dbraw/zinc/69/80/32/347698032.db2.gz GJPRSNZASCFWCP-UHFFFAOYSA-N 1 0 218.247 2.040 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000591473606 347667316 /nfs/dbraw/zinc/66/73/16/347667316.db2.gz IPVWNYYJSYIOQA-KYOSRNDESA-N 1 0 244.338 2.322 20 30 BEEDRO Cc1cc(CNC(=O)CC2(C#N)CC2)cc(C)n1 ZINC000591515522 347670353 /nfs/dbraw/zinc/67/03/53/347670353.db2.gz SVNWVQLLLFUOSG-UHFFFAOYSA-N 1 0 243.310 2.009 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccncc1C#N ZINC000592075312 347728951 /nfs/dbraw/zinc/72/89/51/347728951.db2.gz VJINVKWQZHAQHG-PHIMTYICSA-N 1 0 215.300 2.326 20 30 BEEDRO C[C@H](C#N)C[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000592088074 347730900 /nfs/dbraw/zinc/73/09/00/347730900.db2.gz UAUMNRXVNFCGOY-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO COC1([C@@H](C)[NH2+]Cc2ccncc2C#N)CCC1 ZINC000592125470 347737924 /nfs/dbraw/zinc/73/79/24/347737924.db2.gz YHWRAOLHULRGIH-LLVKDONJSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccncc2C#N)[C@@H](C)[C@H]1C ZINC000592125110 347738195 /nfs/dbraw/zinc/73/81/95/347738195.db2.gz PSDKTTWVLLWEJG-WOPDTQHZSA-N 1 0 229.327 2.430 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592129739 347739711 /nfs/dbraw/zinc/73/97/11/347739711.db2.gz SOHGYFDZZFWNOS-FRRDWIJNSA-N 1 0 239.359 2.472 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000449524149 201951234 /nfs/dbraw/zinc/95/12/34/201951234.db2.gz ZCXLNQRQLDCOOF-XHSDSOJGSA-N 1 0 243.350 2.477 20 30 BEEDRO CC1CCC(C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592150592 347741990 /nfs/dbraw/zinc/74/19/90/347741990.db2.gz DNGIAVKCMDMZMM-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000592152872 347743572 /nfs/dbraw/zinc/74/35/72/347743572.db2.gz FXRRUGQIKJCYOZ-ZIAGYGMSSA-N 1 0 234.343 2.226 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c(C)c1 ZINC000592154194 347744177 /nfs/dbraw/zinc/74/41/77/347744177.db2.gz RIRUOHLDSUAGCV-HNNXBMFYSA-N 1 0 244.338 2.154 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)cc1 ZINC000449521218 201952220 /nfs/dbraw/zinc/95/22/20/201952220.db2.gz REPRJZJADWADGS-KGLIPLIRSA-N 1 0 233.311 2.128 20 30 BEEDRO CO[C@H](CC(C)C)C[NH+]1CCC(C#N)CC1 ZINC000419192056 192109306 /nfs/dbraw/zinc/10/93/06/192109306.db2.gz OOTTZHJHHPMKLA-CYBMUJFWSA-N 1 0 224.348 2.283 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C1(C2CCC2)CC1 ZINC000593084497 347852408 /nfs/dbraw/zinc/85/24/08/347852408.db2.gz QBFWNTLWHWHOEH-NSHDSACASA-N 1 0 217.316 2.352 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CCCSCC#N ZINC000593050121 347852441 /nfs/dbraw/zinc/85/24/41/347852441.db2.gz BRUHTKZWTOAYSW-NEPJUHHUSA-N 1 0 244.404 2.020 20 30 BEEDRO C[C@@H](CCO)[N@H+](C)CCCC(C)(C)C#N ZINC000593108505 347860760 /nfs/dbraw/zinc/86/07/60/347860760.db2.gz WQZDDEOVTOGFBI-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000593118322 347862534 /nfs/dbraw/zinc/86/25/34/347862534.db2.gz QEJYUUSUTPVRFW-OUAUKWLOSA-N 1 0 226.270 2.410 20 30 BEEDRO CC(C)C[N@H+](C)CCCNc1cccc(C#N)n1 ZINC000593479464 347896402 /nfs/dbraw/zinc/89/64/02/347896402.db2.gz DSFMMIWNJGJISI-UHFFFAOYSA-N 1 0 246.358 2.343 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCSCCCO)C1 ZINC000593594840 347915506 /nfs/dbraw/zinc/91/55/06/347915506.db2.gz FBMDQMDGBRQFCU-STQMWFEESA-N 1 0 243.416 2.436 20 30 BEEDRO COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H](C)C#N ZINC000593616272 347916163 /nfs/dbraw/zinc/91/61/63/347916163.db2.gz YIKNWLRXNQDHRH-WDEREUQCSA-N 1 0 212.337 2.187 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCO)CSC)C1 ZINC000593602690 347919161 /nfs/dbraw/zinc/91/91/61/347919161.db2.gz PRJOMORQJQKRHT-FRRDWIJNSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)C1 ZINC000593613025 347920999 /nfs/dbraw/zinc/92/09/99/347920999.db2.gz PJAORMPSKRKGIK-FOCJUVANSA-N 1 0 243.416 2.478 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593654484 347922014 /nfs/dbraw/zinc/92/20/14/347922014.db2.gz DGXHUHZLPPAMJS-RYUDHWBXSA-N 1 0 217.316 2.352 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593654483 347922173 /nfs/dbraw/zinc/92/21/73/347922173.db2.gz DGXHUHZLPPAMJS-NWDGAFQWSA-N 1 0 217.316 2.352 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CCC(C)C ZINC000594006906 347984432 /nfs/dbraw/zinc/98/44/32/347984432.db2.gz ZBVHUKJRTFKKJW-VXGBXAGGSA-N 1 0 212.337 2.065 20 30 BEEDRO C=C(C)C[N@@H+](CCC(=O)OCC)C(C)C ZINC000594049295 347988293 /nfs/dbraw/zinc/98/82/93/347988293.db2.gz RNSFKLFQDCGEFD-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CC(C)OC(=O)C[C@@H]([NH2+]CCCC#N)C(C)C ZINC000594045627 347988518 /nfs/dbraw/zinc/98/85/18/347988518.db2.gz JVVVDEIRBSIZTF-GFCCVEGCSA-N 1 0 240.347 2.246 20 30 BEEDRO CCOC(=O)CC[N@H+](CCCCC#N)C(C)C ZINC000594050413 347989175 /nfs/dbraw/zinc/98/91/75/347989175.db2.gz GYKWVNUPZVVMQQ-UHFFFAOYSA-N 1 0 240.347 2.344 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594027591 347991838 /nfs/dbraw/zinc/99/18/38/347991838.db2.gz WSKBJASBQOKUPO-ZDUSSCGKSA-N 1 0 222.332 2.324 20 30 BEEDRO N#CCCCCC(=O)Nc1ccn2ccnc2c1 ZINC000594029886 347992833 /nfs/dbraw/zinc/99/28/33/347992833.db2.gz IQWXOMAVVFADFC-UHFFFAOYSA-N 1 0 242.282 2.357 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000594515795 348063196 /nfs/dbraw/zinc/06/31/96/348063196.db2.gz RITIDMAICOAGAT-BZPMIXESSA-N 1 0 229.327 2.294 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCCn2ccnc21 ZINC000594502570 348064281 /nfs/dbraw/zinc/06/42/81/348064281.db2.gz LJHUUORAZJZRQQ-NSHDSACASA-N 1 0 237.372 2.227 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419278281 192111522 /nfs/dbraw/zinc/11/15/22/192111522.db2.gz NCQYMCZBPKPVAH-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000594582816 348076944 /nfs/dbraw/zinc/07/69/44/348076944.db2.gz JBRWRIOYDNQROQ-QWHCGFSZSA-N 1 0 247.317 2.057 20 30 BEEDRO Cc1cc(N2CC3(CC3(F)F)C2)c(C#N)cn1 ZINC000594587851 348078055 /nfs/dbraw/zinc/07/80/55/348078055.db2.gz AHYPUDIBWSXGPR-UHFFFAOYSA-N 1 0 235.237 2.107 20 30 BEEDRO C[NH2+]Cc1ccc(NC(=O)CCCCC#N)cc1 ZINC000594444738 348055553 /nfs/dbraw/zinc/05/55/53/348055553.db2.gz WSNOCWVDFRAIIE-UHFFFAOYSA-N 1 0 245.326 2.428 20 30 BEEDRO COCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000594512718 348061062 /nfs/dbraw/zinc/06/10/62/348061062.db2.gz WLOANZAUMCZAJL-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000594514919 348061645 /nfs/dbraw/zinc/06/16/45/348061645.db2.gz MJLVEXYKUSLUJE-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO CCC(C)(C)CNC(=[NH2+])N1CCC(C)CC1 ZINC000190527197 323175599 /nfs/dbraw/zinc/17/55/99/323175599.db2.gz VBFJZELWKUDFRK-UHFFFAOYSA-N 1 0 225.380 2.469 20 30 BEEDRO C[C@]1(C[NH2+]C[C@H](C#N)CCC#N)CC1(F)F ZINC000594724684 348108132 /nfs/dbraw/zinc/10/81/32/348108132.db2.gz FXYBNCIFWKSMTL-VHSXEESVSA-N 1 0 227.258 2.065 20 30 BEEDRO C[C@@]1(CNCC2(C#N)CCCCC2)CC[NH2+]C1 ZINC000594738911 348110395 /nfs/dbraw/zinc/11/03/95/348110395.db2.gz JOZLKTFQLDOQOV-CYBMUJFWSA-N 1 0 235.375 2.050 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000594731936 348113318 /nfs/dbraw/zinc/11/33/18/348113318.db2.gz HDNJXPAVBQHNAW-KBPBESRZSA-N 1 0 230.311 2.062 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594943686 348144293 /nfs/dbraw/zinc/14/42/93/348144293.db2.gz FSVGTVZWHLCXHP-IJLUTSLNSA-N 1 0 225.332 2.130 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000594951553 348147780 /nfs/dbraw/zinc/14/77/80/348147780.db2.gz VGVATCWPBYNEQA-CABCVRRESA-N 1 0 244.338 2.410 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CO1 ZINC000594952810 348147820 /nfs/dbraw/zinc/14/78/20/348147820.db2.gz DFTXTCIKPSSJJD-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnc3n2CCC3)C1 ZINC000594952243 348148001 /nfs/dbraw/zinc/14/80/01/348148001.db2.gz DWGIECBUAFLKJF-RYUDHWBXSA-N 1 0 244.342 2.001 20 30 BEEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)c1ccccn1 ZINC000594953810 348148495 /nfs/dbraw/zinc/14/84/95/348148495.db2.gz HTSVHNVCCICHLR-LLVKDONJSA-N 1 0 241.294 2.440 20 30 BEEDRO N#Cc1csc(C[NH2+][C@]23C[C@H]2CCC3)n1 ZINC000594954333 348148612 /nfs/dbraw/zinc/14/86/12/348148612.db2.gz YLZNDARXLHMTIF-LDYMZIIASA-N 1 0 219.313 2.047 20 30 BEEDRO CC1(C[NH2+]CCc2ccc(C#N)cc2)CC1 ZINC000594955266 348149123 /nfs/dbraw/zinc/14/91/23/348149123.db2.gz MHAONLWNASMOKK-UHFFFAOYSA-N 1 0 214.312 2.490 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc[nH]c1 ZINC000594960136 348150252 /nfs/dbraw/zinc/15/02/52/348150252.db2.gz KSLKUJLDAJFESV-UHFFFAOYSA-N 1 0 210.346 2.414 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000594960431 348150831 /nfs/dbraw/zinc/15/08/31/348150831.db2.gz QGSPCVAVZPYTKS-QJPTWQEYSA-N 1 0 229.389 2.451 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCO[C@@H]1C ZINC000594960343 348150906 /nfs/dbraw/zinc/15/09/06/348150906.db2.gz OOIWYRZVXUYGBF-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccnn1CC ZINC000594960881 348150926 /nfs/dbraw/zinc/15/09/26/348150926.db2.gz ZKYGVFCLJOJHHG-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000594960941 348151071 /nfs/dbraw/zinc/15/10/71/348151071.db2.gz UIUIJMMOIHETJL-RYUDHWBXSA-N 1 0 244.342 2.001 20 30 BEEDRO N#CC1(c2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000594920642 348154991 /nfs/dbraw/zinc/15/49/91/348154991.db2.gz GPFGENNECJTJDD-UHFFFAOYSA-N 1 0 212.296 2.494 20 30 BEEDRO C[C@H](O)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924865 348156780 /nfs/dbraw/zinc/15/67/80/348156780.db2.gz OEUKTHFKFUSTAA-LBPRGKRZSA-N 1 0 244.338 2.102 20 30 BEEDRO CC(C)([NH2+]C[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000594970131 348162150 /nfs/dbraw/zinc/16/21/50/348162150.db2.gz UGCZWLVIPADRBP-CYBMUJFWSA-N 1 0 244.338 2.419 20 30 BEEDRO CC1(C[NH2+]CC2(C#N)CCCCC2)COC1 ZINC000594981673 348163950 /nfs/dbraw/zinc/16/39/50/348163950.db2.gz SONLUZRWXHQZKU-UHFFFAOYSA-N 1 0 222.332 2.087 20 30 BEEDRO C[C@@H]1OCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981236 348164100 /nfs/dbraw/zinc/16/41/00/348164100.db2.gz LMCWMGNKOLJELX-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]1OCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981235 348164359 /nfs/dbraw/zinc/16/43/59/348164359.db2.gz LMCWMGNKOLJELX-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000594989698 348167037 /nfs/dbraw/zinc/16/70/37/348167037.db2.gz VUJRNIHSWCVZPM-VXGBXAGGSA-N 1 0 248.351 2.013 20 30 BEEDRO C[C@H](CSCCF)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595044239 348178979 /nfs/dbraw/zinc/17/89/79/348178979.db2.gz JUUTURLDXXYCGR-OUAUKWLOSA-N 1 0 230.352 2.359 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000595000647 348169263 /nfs/dbraw/zinc/16/92/63/348169263.db2.gz JQGXESFBGCYDDE-HDJSIYSDSA-N 1 0 244.338 2.101 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000595051175 348180614 /nfs/dbraw/zinc/18/06/14/348180614.db2.gz LAZCDYCWPJKBTP-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO COC1([C@@H](C)[NH2+]CC(C)(C)CC#N)CCC1 ZINC000595053619 348181547 /nfs/dbraw/zinc/18/15/47/348181547.db2.gz WYXBFYGFSGQYAW-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000595057812 348182861 /nfs/dbraw/zinc/18/28/61/348182861.db2.gz XMCKAEBVCCQWSJ-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccc(C#N)cc1 ZINC000595056535 348182867 /nfs/dbraw/zinc/18/28/67/348182867.db2.gz LGAHRWPRXJRUJL-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO CC[C@H](COCC1CC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595056577 348182930 /nfs/dbraw/zinc/18/29/30/348182930.db2.gz MJWUOGKPENXQNT-MCIONIFRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCOC1(C)C ZINC000595057156 348183266 /nfs/dbraw/zinc/18/32/66/348183266.db2.gz AYMGETPLJRCBKS-LLVKDONJSA-N 1 0 229.389 2.453 20 30 BEEDRO C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(C#N)cc1 ZINC000595056536 348183271 /nfs/dbraw/zinc/18/32/71/348183271.db2.gz LGAHRWPRXJRUJL-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000595059362 348183858 /nfs/dbraw/zinc/18/38/58/348183858.db2.gz MZONBMGQRGHION-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595059148 348183952 /nfs/dbraw/zinc/18/39/52/348183952.db2.gz LTCBIEMJAYENCF-QWHCGFSZSA-N 1 0 242.432 2.368 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1COC(C)(C)C1 ZINC000595059399 348184066 /nfs/dbraw/zinc/18/40/66/348184066.db2.gz NPKVBZGWKMDNJR-LLVKDONJSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000595060953 348184519 /nfs/dbraw/zinc/18/45/19/348184519.db2.gz WRICWAIHPMXYLR-WDEREUQCSA-N 1 0 217.378 2.309 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)[C@H](C)OC ZINC000595060949 348184706 /nfs/dbraw/zinc/18/47/06/348184706.db2.gz WRICWAIHPMXYLR-MNOVXSKESA-N 1 0 217.378 2.309 20 30 BEEDRO C=CCSCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000595014061 348185872 /nfs/dbraw/zinc/18/58/72/348185872.db2.gz LVDSXGIJZMIJPK-LLVKDONJSA-N 1 0 227.373 2.207 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C1(CO)CC1 ZINC000595068403 348187192 /nfs/dbraw/zinc/18/71/92/348187192.db2.gz OMQIHKMTDGDLMS-NWDGAFQWSA-N 1 0 244.338 2.370 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]C/C=C/CO ZINC000595066135 348187300 /nfs/dbraw/zinc/18/73/00/348187300.db2.gz CLSWPRMHMBAPSV-YLSAJCSVSA-N 1 0 242.322 2.074 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1(F)F ZINC000595081225 348190301 /nfs/dbraw/zinc/19/03/01/348190301.db2.gz QQUWZSQTMMKBBX-LPEHRKFASA-N 1 0 214.259 2.314 20 30 BEEDRO COC[C@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595091225 348192217 /nfs/dbraw/zinc/19/22/17/348192217.db2.gz OFHFIQVJXSTJMQ-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000595106056 348196647 /nfs/dbraw/zinc/19/66/47/348196647.db2.gz HJUFXOQTOXGVNM-KFWWJZLASA-N 1 0 242.322 2.313 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CCCO)C1CC1 ZINC000121632004 349983578 /nfs/dbraw/zinc/98/35/78/349983578.db2.gz PAMYRLRTWWQGMN-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595287861 348212303 /nfs/dbraw/zinc/21/23/03/348212303.db2.gz OBOYMNSMRMGFFO-OLZOCXBDSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000595391396 348243629 /nfs/dbraw/zinc/24/36/29/348243629.db2.gz JWXGOIGCKUJMMY-HUUCEWRRSA-N 1 0 249.402 2.344 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595485414 348252333 /nfs/dbraw/zinc/25/23/33/348252333.db2.gz YLKGBGLGZKMAJU-LBPRGKRZSA-N 1 0 232.327 2.067 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000308833791 323179918 /nfs/dbraw/zinc/17/99/18/323179918.db2.gz HIPUGSXTTRLUBX-KPPDAEKUSA-N 1 0 210.321 2.082 20 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BEEDRO N#CC[C@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000595622769 348291299 /nfs/dbraw/zinc/29/12/99/348291299.db2.gz CNQSYEKGQVXKOS-GHMZBOCLSA-N 1 0 244.285 2.036 20 30 BEEDRO CCOC1CC(C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000595623124 348291650 /nfs/dbraw/zinc/29/16/50/348291650.db2.gz IGGYDXYXBQEHFC-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000595623150 348291671 /nfs/dbraw/zinc/29/16/71/348291671.db2.gz IVRRDLMLETZKHR-XQQFMLRXSA-N 1 0 217.316 2.304 20 30 BEEDRO C=CC[N@@H+](CCCSCC#N)[C@H](C)COC ZINC000595645805 348295629 /nfs/dbraw/zinc/29/56/29/348295629.db2.gz HSOOIGUTABTGCQ-GFCCVEGCSA-N 1 0 242.388 2.156 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C(=O)OC)C2CC2)C1 ZINC000595659360 348298504 /nfs/dbraw/zinc/29/85/04/348298504.db2.gz NGFUHZYWJZPPMJ-WCQYABFASA-N 1 0 237.343 2.226 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000595659839 348299490 /nfs/dbraw/zinc/29/94/90/348299490.db2.gz PVVCJFMOQCLXTC-ZDUSSCGKSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000595659838 348299524 /nfs/dbraw/zinc/29/95/24/348299524.db2.gz PVVCJFMOQCLXTC-CYBMUJFWSA-N 1 0 222.332 2.205 20 30 BEEDRO C[C@@H](CO)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595640672 348304357 /nfs/dbraw/zinc/30/43/57/348304357.db2.gz UUUUWTCNYFVLKX-LLVKDONJSA-N 1 0 232.327 2.011 20 30 BEEDRO C[C@@]12COC[C@]1(C)C[N@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000595688894 348314695 /nfs/dbraw/zinc/31/46/95/348314695.db2.gz KATVNSCOXPGSBS-XDQVBPFNSA-N 1 0 234.343 2.037 20 30 BEEDRO C[C@@H](CCC#N)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595691089 348316782 /nfs/dbraw/zinc/31/67/82/348316782.db2.gz YVBRCCIOOPLPLP-RWMBFGLXSA-N 1 0 222.332 2.037 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000595810971 348350393 /nfs/dbraw/zinc/35/03/93/348350393.db2.gz QPILMHPJCPAJMX-KBPBESRZSA-N 1 0 212.296 2.400 20 30 BEEDRO CC[NH+](CC)CCCN([C@H](C)C#N)C1CC1 ZINC000595710769 348322916 /nfs/dbraw/zinc/32/29/16/348322916.db2.gz VESYQCYGONHJGX-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000595765837 348334081 /nfs/dbraw/zinc/33/40/81/348334081.db2.gz KATYXZWNGQCHJN-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000595768111 348334851 /nfs/dbraw/zinc/33/48/51/348334851.db2.gz FCMMDQACRRMKDL-IINYFYTJSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2C#N)C[C@H](C)[C@H]1O ZINC000595744368 348339353 /nfs/dbraw/zinc/33/93/53/348339353.db2.gz WTXHTXLDSORUDJ-JYAVWHMHSA-N 1 0 244.338 2.007 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000595751360 348341435 /nfs/dbraw/zinc/34/14/35/348341435.db2.gz VFCIGMYZWOKIQX-AWEZNQCLSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000595788312 348346139 /nfs/dbraw/zinc/34/61/39/348346139.db2.gz IWXUOQCRNRTRSL-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO COc1ccc(CC[N@@H+]2CC[C@@](C)(C#N)C2)cc1 ZINC000595834604 348368123 /nfs/dbraw/zinc/36/81/23/348368123.db2.gz MYPXCPOOYHMCEA-HNNXBMFYSA-N 1 0 244.338 2.473 20 30 BEEDRO CO[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)C1CCC1 ZINC000595840717 348374333 /nfs/dbraw/zinc/37/43/33/348374333.db2.gz DBIVXPWQUCIXOY-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccccn1 ZINC000268426009 166297931 /nfs/dbraw/zinc/29/79/31/166297931.db2.gz CDKYOFZIZARKOL-CQSZACIVSA-N 1 0 234.343 2.231 20 30 BEEDRO CO[C@@H](CC(C)C)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595842234 348377715 /nfs/dbraw/zinc/37/77/15/348377715.db2.gz QHMFGXXBCBNODP-QWHCGFSZSA-N 1 0 224.348 2.283 20 30 BEEDRO COCC1(C[N@@H+]2CC[C@](C)(C#N)C2)CCC1 ZINC000595842835 348378998 /nfs/dbraw/zinc/37/89/98/348378998.db2.gz VQNQBOPUYXJGBJ-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)CC[C@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843025 348379910 /nfs/dbraw/zinc/37/99/10/348379910.db2.gz XNDBJRWDWZYTJF-QWHCGFSZSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)OCC ZINC000595844460 348382302 /nfs/dbraw/zinc/38/23/02/348382302.db2.gz FJXZZGHJNHRNDH-SDDRHHMPSA-N 1 0 223.316 2.121 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@]1(C)CO ZINC000595875490 348386949 /nfs/dbraw/zinc/38/69/49/348386949.db2.gz QAPPVZJSLJKGHF-DOMZBBRYSA-N 1 0 244.338 2.009 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000595829813 348364763 /nfs/dbraw/zinc/36/47/63/348364763.db2.gz IHMCHXLHBNYKFE-LSDHHAIUSA-N 1 0 242.322 2.027 20 30 BEEDRO C[N@H+](CC1=CCSC1)Cc1ccnc(C#N)c1 ZINC000595887605 348389250 /nfs/dbraw/zinc/38/92/50/348389250.db2.gz HFUMSIAMFAVZMB-UHFFFAOYSA-N 1 0 245.351 2.058 20 30 BEEDRO COCC1([NH2+]CC2(C#N)CC2)CCCCC1 ZINC000595911532 348398971 /nfs/dbraw/zinc/39/89/71/348398971.db2.gz YEXOCFDNYPEDMV-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC#N)C[C@](C)(C(F)F)O1 ZINC000595913163 348399554 /nfs/dbraw/zinc/39/95/54/348399554.db2.gz CIEFEXYTMZZIQG-CMPLNLGQSA-N 1 0 246.301 2.425 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCCc1ccco1 ZINC000596045308 348428542 /nfs/dbraw/zinc/42/85/42/348428542.db2.gz BPVCEWZIRJZMOJ-GFCCVEGCSA-N 1 0 231.299 2.245 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)C1CCCC1 ZINC000596049400 348428668 /nfs/dbraw/zinc/42/86/68/348428668.db2.gz ZSMGFMISXLXSIC-OCCSQVGLSA-N 1 0 249.358 2.225 20 30 BEEDRO C[C@H]([NH3+])CNc1cccc(C(F)F)c1C#N ZINC000596014104 348429923 /nfs/dbraw/zinc/42/99/23/348429923.db2.gz NHCWNTYMJBXCSJ-ZETCQYMHSA-N 1 0 225.242 2.255 20 30 BEEDRO COCCCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000419387241 192130125 /nfs/dbraw/zinc/13/01/25/192130125.db2.gz NDARZJURLSLJRC-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000596064082 348435997 /nfs/dbraw/zinc/43/59/97/348435997.db2.gz BEFXOKSIGXUDTN-AAEUAGOBSA-N 1 0 219.332 2.454 20 30 BEEDRO C=C(C)CN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419384458 192133683 /nfs/dbraw/zinc/13/36/83/192133683.db2.gz ZFMISGRFDSEBBX-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO Cc1ccnc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1C#N ZINC000135197368 179459386 /nfs/dbraw/zinc/45/93/86/179459386.db2.gz NFNSPEXWTGGBMJ-VXGBXAGGSA-N 1 0 244.342 2.062 20 30 BEEDRO Cc1ccc(C#N)nc1N[C@@H](C)CC[NH+](C)C ZINC000596098468 348445466 /nfs/dbraw/zinc/44/54/66/348445466.db2.gz OEKYUGGLEFHVAY-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO CCN(CCC[NH+](C)C)c1nc(C#N)ccc1C ZINC000596204619 348465914 /nfs/dbraw/zinc/46/59/14/348465914.db2.gz BJDSNEAYJHGHFS-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO Cc1ccnc(N[C@@H]2CCCC[C@@H]2C[NH3+])c1C#N ZINC000135205122 179455812 /nfs/dbraw/zinc/45/58/12/179455812.db2.gz MEHGCDJQCDXUIN-DGCLKSJQSA-N 1 0 244.342 2.191 20 30 BEEDRO C[C@@H](CCNc1cccc(F)c1C#N)[NH+](C)C ZINC000596424305 348528661 /nfs/dbraw/zinc/52/86/61/348528661.db2.gz HFQNMZHDWXEBSA-JTQLQIEISA-N 1 0 235.306 2.449 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000128495688 348592610 /nfs/dbraw/zinc/59/26/10/348592610.db2.gz XZJIJGRJQMOFBR-KBPBESRZSA-N 1 0 244.338 2.116 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000596650050 348605062 /nfs/dbraw/zinc/60/50/62/348605062.db2.gz HXUVJXAUYJAXBH-FZMZJTMJSA-N 1 0 229.327 2.441 20 30 BEEDRO C=CCCSCCN[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000596650558 348606045 /nfs/dbraw/zinc/60/60/45/348606045.db2.gz LNWAKKARSDGCPP-RYUDHWBXSA-N 1 0 228.405 2.026 20 30 BEEDRO C[C@H](NCC1(C#N)CCCCC1)[C@H]1CCC[NH2+]1 ZINC000596652294 348606304 /nfs/dbraw/zinc/60/63/04/348606304.db2.gz PDSWMWRVUOPAKA-QWHCGFSZSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CCCSCCN[C@H](C)[C@H]1CCC[NH2+]1 ZINC000596650559 348606383 /nfs/dbraw/zinc/60/63/83/348606383.db2.gz LNWAKKARSDGCPP-VXGBXAGGSA-N 1 0 228.405 2.026 20 30 BEEDRO C[C@@H]1CC[NH2+]C[C@@H]1NCC1(C#N)CCCCC1 ZINC000596653916 348607917 /nfs/dbraw/zinc/60/79/17/348607917.db2.gz XTWDXRUMURUFBX-OLZOCXBDSA-N 1 0 235.375 2.048 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597050030 348653624 /nfs/dbraw/zinc/65/36/24/348653624.db2.gz IIHYTONQVJMPPI-LSDHHAIUSA-N 1 0 242.322 2.215 20 30 BEEDRO CCCn1nccc1C[NH+]1CCC(CC#N)CC1 ZINC000597081843 348658749 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CC[C@@H](CC#N)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245743527 349085164 /nfs/dbraw/zinc/08/51/64/349085164.db2.gz VVTOSNOQUKMSND-USZNOCQGSA-N 1 0 210.321 2.224 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000599067105 349087286 /nfs/dbraw/zinc/08/72/86/349087286.db2.gz AFDMZAIIWZPEDC-HZSPNIEDSA-N 1 0 238.375 2.455 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000599084682 349089861 /nfs/dbraw/zinc/08/98/61/349089861.db2.gz FDOSTCJYPOVZPX-SAXRGWBVSA-N 1 0 234.343 2.226 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000599092332 349092234 /nfs/dbraw/zinc/09/22/34/349092234.db2.gz LIWYLBLZYVITMB-LERXQTSPSA-N 1 0 230.311 2.386 20 30 BEEDRO CCO[C@H]1C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000309045157 323205500 /nfs/dbraw/zinc/20/55/00/323205500.db2.gz NZLDDYVOUWNNJS-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[N@@H+]1CCCC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000599138701 349098006 /nfs/dbraw/zinc/09/80/06/349098006.db2.gz 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/nfs/dbraw/zinc/70/12/35/350701235.db2.gz CCZQYQNICMNBAJ-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000125530280 350736210 /nfs/dbraw/zinc/73/62/10/350736210.db2.gz QASALVPRYNKEKT-STQMWFEESA-N 1 0 209.333 2.193 20 30 BEEDRO CC#CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000125556997 350736600 /nfs/dbraw/zinc/73/66/00/350736600.db2.gz NPXZEJKJLIUYBF-UHFFFAOYSA-N 1 0 224.285 2.159 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c(C)nn(C)c1C ZINC000385142129 350774330 /nfs/dbraw/zinc/77/43/30/350774330.db2.gz IQHPPKGSYRPHAF-UHFFFAOYSA-N 1 0 221.348 2.339 20 30 BEEDRO CC1(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000344706405 535155224 /nfs/dbraw/zinc/15/52/24/535155224.db2.gz OIQGHELLMTYZTP-UHFFFAOYSA-N 1 0 240.310 2.096 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000628312409 350813685 /nfs/dbraw/zinc/81/36/85/350813685.db2.gz AKETWFAQRJAKJY-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000564095206 323428903 /nfs/dbraw/zinc/42/89/03/323428903.db2.gz RNECELUSFAQGFA-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H]1CC[C@H]([N@H+](CCO)CC2(C#N)CCC2)C1 ZINC000450848510 350861041 /nfs/dbraw/zinc/86/10/41/350861041.db2.gz UPQKESPSSPWVMZ-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)no1 ZINC000282902629 350862936 /nfs/dbraw/zinc/86/29/36/350862936.db2.gz WUTGNERVSICNTM-SNVBAGLBSA-N 1 0 207.277 2.328 20 30 BEEDRO CC(C)COCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336682591 350907158 /nfs/dbraw/zinc/90/71/58/350907158.db2.gz RYNZLPGUYWDRAO-CHWSQXEVSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000397572402 350920198 /nfs/dbraw/zinc/92/01/98/350920198.db2.gz CIOOIQGHEDAEJT-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)O1 ZINC000397571589 350920696 /nfs/dbraw/zinc/92/06/96/350920696.db2.gz BZVWLLJHHLHPTQ-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO CSCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397583004 350930750 /nfs/dbraw/zinc/93/07/50/350930750.db2.gz BFWRDQIRBNPLNJ-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO N#Cc1ccc(NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222493465 350975377 /nfs/dbraw/zinc/97/53/77/350975377.db2.gz ZYORQGGSNCOJSM-QWHCGFSZSA-N 1 0 229.327 2.488 20 30 BEEDRO N#Cc1ccc(NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000222493362 350975704 /nfs/dbraw/zinc/97/57/04/350975704.db2.gz ZYORQGGSNCOJSM-STQMWFEESA-N 1 0 229.327 2.488 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000336690019 350976597 /nfs/dbraw/zinc/97/65/97/350976597.db2.gz KIWFVTFXHAOFMT-UPJWGTAASA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397591795 350950343 /nfs/dbraw/zinc/95/03/43/350950343.db2.gz CFEJLRRNSBXKGM-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397647738 350957329 /nfs/dbraw/zinc/95/73/29/350957329.db2.gz SRSIOYPRMFGPQA-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292482297 351044335 /nfs/dbraw/zinc/04/43/35/351044335.db2.gz AUGIOQZKMJKJLR-UHFFFAOYSA-N 1 0 229.274 2.204 20 30 BEEDRO Cc1nsc(NCC[N@@H+](C)C(C)C)c1C#N ZINC000086254672 351051357 /nfs/dbraw/zinc/05/13/57/351051357.db2.gz VVPNIFZYHDCLMN-UHFFFAOYSA-N 1 0 238.360 2.075 20 30 BEEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CO ZINC000120626517 351055993 /nfs/dbraw/zinc/05/59/93/351055993.db2.gz ODAVAKVQMIIGAZ-CYBMUJFWSA-N 1 0 246.354 2.399 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)Cn1cncc1C ZINC000626370348 351012061 /nfs/dbraw/zinc/01/20/61/351012061.db2.gz KMOOYGVNIOUHQS-NSHDSACASA-N 1 0 235.331 2.053 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(OC)ccn2)CC1 ZINC000111257358 191130165 /nfs/dbraw/zinc/13/01/65/191130165.db2.gz WOBLCYGLLIROQC-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000336780938 191130519 /nfs/dbraw/zinc/13/05/19/191130519.db2.gz SPUWWOHIVURWHS-GXTWGEPZSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)CCO1 ZINC000260065501 351071705 /nfs/dbraw/zinc/07/17/05/351071705.db2.gz OPMBVSFBQFYTEI-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO CCOc1ccccc1CN(C)CCC#N ZINC000052870171 351074459 /nfs/dbraw/zinc/07/44/59/351074459.db2.gz LXBHXHBPKVUBCU-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000289964287 351078643 /nfs/dbraw/zinc/07/86/43/351078643.db2.gz XBVPYRIMGCCHFF-MISXGVKJSA-N 1 0 217.312 2.371 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631126004 351336315 /nfs/dbraw/zinc/33/63/15/351336315.db2.gz HHELGVAGLYVFKC-LLVKDONJSA-N 1 0 206.289 2.232 20 30 BEEDRO C[C@@H]([NH2+]CCF)c1ccc(OCC#N)cc1 ZINC000271818367 351439065 /nfs/dbraw/zinc/43/90/65/351439065.db2.gz NEMREDDCAZCTGJ-SNVBAGLBSA-N 1 0 222.263 2.209 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)Cc1cnn(C)c1 ZINC000272049105 351451075 /nfs/dbraw/zinc/45/10/75/351451075.db2.gz SWWPZNAYLYSPAB-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCCC#N)CC2 ZINC000273258965 351513854 /nfs/dbraw/zinc/51/38/54/351513854.db2.gz MKRPCTUPWXYSBN-AWEZNQCLSA-N 1 0 244.338 2.446 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000307080835 351469564 /nfs/dbraw/zinc/46/95/64/351469564.db2.gz IWOJMFFHKWHAFM-POYBYMJQSA-N 1 0 236.178 2.236 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000231933581 351471553 /nfs/dbraw/zinc/47/15/53/351471553.db2.gz HBVDTNBIXOEUHM-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000231933574 351471651 /nfs/dbraw/zinc/47/16/51/351471651.db2.gz HBVDTNBIXOEUHM-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000231933575 351471658 /nfs/dbraw/zinc/47/16/58/351471658.db2.gz HBVDTNBIXOEUHM-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000231931648 351475631 /nfs/dbraw/zinc/47/56/31/351475631.db2.gz DTZFTABHZVHXFO-NSHDSACASA-N 1 0 229.389 2.453 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272532552 351483446 /nfs/dbraw/zinc/48/34/46/351483446.db2.gz IPJBTMRIDKXNJM-UHFFFAOYSA-N 1 0 246.358 2.163 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCCC#N)c1 ZINC000273363210 351524132 /nfs/dbraw/zinc/52/41/32/351524132.db2.gz TZODMCXTXZRXMD-UHFFFAOYSA-N 1 0 230.315 2.279 20 30 BEEDRO CC(C)CCN(CCC#N)CCc1ccnn1C ZINC000276321919 351615805 /nfs/dbraw/zinc/61/58/05/351615805.db2.gz OVJHVUHZSZVKOV-UHFFFAOYSA-N 1 0 248.374 2.224 20 30 BEEDRO CCC(O)(CC)CCNC(=[NH2+])Nc1ccccc1 ZINC000276379999 351619067 /nfs/dbraw/zinc/61/90/67/351619067.db2.gz LHYZCJFVYOPDCR-UHFFFAOYSA-N 1 0 249.358 2.354 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H](OC)C1CCOCC1 ZINC000637832925 351683382 /nfs/dbraw/zinc/68/33/82/351683382.db2.gz MXADVWBOVILUGY-AWEZNQCLSA-N 1 0 239.359 2.102 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000278152368 351747729 /nfs/dbraw/zinc/74/77/29/351747729.db2.gz AFYNKBNQQARGSM-KGYLQXTDSA-N 1 0 244.342 2.459 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC000278695291 351777175 /nfs/dbraw/zinc/77/71/75/351777175.db2.gz SMWYXFVUWUDKNZ-OCCSQVGLSA-N 1 0 244.342 2.212 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCC[C@@H](C)O)cc1C ZINC000278740133 351779936 /nfs/dbraw/zinc/77/99/36/351779936.db2.gz LWDAFMJQLSRTMY-GFCCVEGCSA-N 1 0 249.358 2.191 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000278778044 351783525 /nfs/dbraw/zinc/78/35/25/351783525.db2.gz ZENPKMPNXMFAJB-YPMHNXCESA-N 1 0 244.342 2.281 20 30 BEEDRO Cn1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1C#N ZINC000191369094 180646413 /nfs/dbraw/zinc/64/64/13/180646413.db2.gz JDSBSBIJEYTQCN-STQMWFEESA-N 1 0 229.327 2.129 20 30 BEEDRO C[N@H+](Cc1ccco1)[C@@H]1CC[C@H](C#N)C1 ZINC000278539684 351769000 /nfs/dbraw/zinc/76/90/00/351769000.db2.gz GCNZOEGVAHUMLN-WDEREUQCSA-N 1 0 204.273 2.404 20 30 BEEDRO C[N@H+](CCc1ccncc1)[C@H]1CC[C@H](C#N)C1 ZINC000278555017 351769539 /nfs/dbraw/zinc/76/95/39/351769539.db2.gz HUGXVRMVIOTCQQ-KBPBESRZSA-N 1 0 229.327 2.248 20 30 BEEDRO C=CCOc1cccc(CN[C@@H](C[NH3+])C2CC2)c1 ZINC000414792751 351772197 /nfs/dbraw/zinc/77/21/97/351772197.db2.gz CTVRZJRPCDNBRM-HNNXBMFYSA-N 1 0 246.354 2.078 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CCO1 ZINC000405130288 351858477 /nfs/dbraw/zinc/85/84/77/351858477.db2.gz MYKDDSUYGDDTQT-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000336733697 351877852 /nfs/dbraw/zinc/87/78/52/351877852.db2.gz GQBRFFPYEJQAKO-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000336734207 351887572 /nfs/dbraw/zinc/88/75/72/351887572.db2.gz MZYUYACERJVOIO-AGIUHOORSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@]1(OC)CCOC1 ZINC000638093852 351973921 /nfs/dbraw/zinc/97/39/21/351973921.db2.gz FQXBOUKAJRTHEC-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(F)ccc1C#N ZINC001639952962 1172146691 /nfs/dbraw/zinc/14/66/91/1172146691.db2.gz ICHWOIIONAGHDN-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnc2cnccn12 ZINC000274623612 187576738 /nfs/dbraw/zinc/57/67/38/187576738.db2.gz XFMOEXWDLLHJOQ-UHFFFAOYSA-N 1 0 230.315 2.175 20 30 BEEDRO C=C(CNC(=[NH2+])N(CC)CC)c1ccccc1 ZINC000287315308 352121091 /nfs/dbraw/zinc/12/10/91/352121091.db2.gz UTKJOKVKJDRAMK-UHFFFAOYSA-N 1 0 231.343 2.356 20 30 BEEDRO C=C(CNC(=[NH2+])NCCCC)c1ccccc1 ZINC000287343847 352122618 /nfs/dbraw/zinc/12/26/18/352122618.db2.gz WYCJVRNIVPQMQG-UHFFFAOYSA-N 1 0 231.343 2.404 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)CC(F)F ZINC000336738523 352110222 /nfs/dbraw/zinc/11/02/22/352110222.db2.gz RHDJSDVFSMTQMP-ZJUUUORDSA-N 1 0 221.291 2.337 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000618887622 352160696 /nfs/dbraw/zinc/16/06/96/352160696.db2.gz HIHXYLFZMCIHNY-AAVRWANBSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)CCC#N)C1 ZINC000618887643 352161056 /nfs/dbraw/zinc/16/10/56/352161056.db2.gz CZWRAUDTRUNQKX-UONOGXRCSA-N 1 0 237.391 2.200 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000618888491 352166568 /nfs/dbraw/zinc/16/65/68/352166568.db2.gz ZSQUBDWCPAIVTG-AAVRWANBSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000618888494 352166737 /nfs/dbraw/zinc/16/67/37/352166737.db2.gz ZSQUBDWCPAIVTG-XJFOESAGSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527923181 323729356 /nfs/dbraw/zinc/72/93/56/323729356.db2.gz CLWBZLIUWVMJBF-XQQFMLRXSA-N 1 0 222.332 2.085 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000289541645 352190170 /nfs/dbraw/zinc/19/01/70/352190170.db2.gz QNPUGACRQUFDDR-SNVBAGLBSA-N 1 0 233.359 2.366 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000289632752 352192989 /nfs/dbraw/zinc/19/29/89/352192989.db2.gz WXVJGFAXKNCVIR-CYBMUJFWSA-N 1 0 233.359 2.386 20 30 BEEDRO C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCC#N ZINC000020199697 352140880 /nfs/dbraw/zinc/14/08/80/352140880.db2.gz DWIISBWHKKHFDR-LLVKDONJSA-N 1 0 246.310 2.240 20 30 BEEDRO N#CCCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290024934 352207723 /nfs/dbraw/zinc/20/77/23/352207723.db2.gz VILWWJKGHLVPSY-NSHDSACASA-N 1 0 238.722 2.087 20 30 BEEDRO COC1CC([NH2+][C@@H](C)c2ccc(C#N)cc2)C1 ZINC000230673882 352221510 /nfs/dbraw/zinc/22/15/10/352221510.db2.gz LIWYLBLZYVITMB-FNBIGBAISA-N 1 0 230.311 2.386 20 30 BEEDRO C#Cc1ccc(CN(C)CC[N@H+](C)C2CC2)cc1 ZINC000290645683 352233148 /nfs/dbraw/zinc/23/31/48/352233148.db2.gz YVAIMMXPKQUBAJ-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000638454880 352264373 /nfs/dbraw/zinc/26/43/73/352264373.db2.gz MZDDFMBEZRNWCT-NWDGAFQWSA-N 1 0 240.391 2.324 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000638455487 352266002 /nfs/dbraw/zinc/26/60/02/352266002.db2.gz VZRANELCPUJBOC-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000638455553 352266056 /nfs/dbraw/zinc/26/60/56/352266056.db2.gz XPMHNVSKZRPZQS-CQSZACIVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C1([NH3+])CCCCC1 ZINC000638453981 352266724 /nfs/dbraw/zinc/26/67/24/352266724.db2.gz CITBMDYJGHBCAW-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000638453869 352266957 /nfs/dbraw/zinc/26/69/57/352266957.db2.gz BEZIACGKLNNMOK-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)C[C@@H](C)OC ZINC000291364953 352272611 /nfs/dbraw/zinc/27/26/11/352272611.db2.gz ZHSVNNGCXPTTRX-CQSZACIVSA-N 1 0 231.339 2.395 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000340360350 352248480 /nfs/dbraw/zinc/24/84/80/352248480.db2.gz JGIUDAJBCAPZAQ-XBFCOCLRSA-N 1 0 242.322 2.272 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000336738884 352317611 /nfs/dbraw/zinc/31/76/11/352317611.db2.gz KQNBGVIIUIYGSO-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)c2oc(C[NH3+])cc2C)C1 ZINC000638474295 352283495 /nfs/dbraw/zinc/28/34/95/352283495.db2.gz KGOOUNLOKNLHQP-LLVKDONJSA-N 1 0 248.326 2.085 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@H](CCC)OC)CC1 ZINC000638524682 352356558 /nfs/dbraw/zinc/35/65/58/352356558.db2.gz QVSXJFREHDRYEZ-AWEZNQCLSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000320282718 259426030 /nfs/dbraw/zinc/42/60/30/259426030.db2.gz OUSNYCOGALDESL-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000411298214 191175805 /nfs/dbraw/zinc/17/58/05/191175805.db2.gz JCMBMLAFCIHECA-UKRRQHHQSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CCOCC1CC1 ZINC000411329572 191177409 /nfs/dbraw/zinc/17/74/09/191177409.db2.gz KMFALBQHNFVHAQ-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CCC1CCOCC1 ZINC000411313235 191177998 /nfs/dbraw/zinc/17/79/98/191177998.db2.gz AJRFEMGJNHRPGV-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCCC[N@H+](CCCO)[C@@H](C)CCC#N ZINC000411485393 191188569 /nfs/dbraw/zinc/18/85/69/191188569.db2.gz QJTKIPUGAQHLAN-LBPRGKRZSA-N 1 0 212.337 2.163 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000044679006 352381785 /nfs/dbraw/zinc/38/17/85/352381785.db2.gz GDVHDJBMFGBSGQ-LLVKDONJSA-N 1 0 245.301 2.346 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@H]1COc2ccccc21 ZINC000411526966 191191547 /nfs/dbraw/zinc/19/15/47/191191547.db2.gz CZCIDJUVYJECMY-CMPLNLGQSA-N 1 0 216.284 2.054 20 30 BEEDRO C[C@H](CO)[C@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411526803 191191669 /nfs/dbraw/zinc/19/16/69/191191669.db2.gz FAKVYEASMNAIEW-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO N#Cc1cccc(NCCC[NH+]2CCCCC2)n1 ZINC000265552340 187679291 /nfs/dbraw/zinc/67/92/91/187679291.db2.gz QUGLOFKVBMYRKE-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)CO ZINC000120726196 352397535 /nfs/dbraw/zinc/39/75/35/352397535.db2.gz KXTSBXMMCDDTHU-ZDUSSCGKSA-N 1 0 246.354 2.397 20 30 BEEDRO C[C@@H](NCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519129 191191366 /nfs/dbraw/zinc/19/13/66/191191366.db2.gz REPVMDJTWICKMB-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]CCC#N ZINC000411611943 191196585 /nfs/dbraw/zinc/19/65/85/191196585.db2.gz OGNYDKLNTUCNEG-MRVPVSSYSA-N 1 0 208.227 2.467 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CC[C@@H]1CCCO1 ZINC000411622128 191197834 /nfs/dbraw/zinc/19/78/34/191197834.db2.gz PKGZEINVSYNNQO-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCN(C)CC[N@H+](CC)CC[C@@H](C)F ZINC000411640447 191198698 /nfs/dbraw/zinc/19/86/98/191198698.db2.gz FGGMIXVSXWMZRU-GFCCVEGCSA-N 1 0 216.344 2.174 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCSC[C@H](C)C1 ZINC000411636208 191200333 /nfs/dbraw/zinc/20/03/33/191200333.db2.gz RJEUEMOVZJHUSR-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCC(C)(C)OC ZINC000411638815 191201109 /nfs/dbraw/zinc/20/11/09/191201109.db2.gz CFGMZICKGDFLCQ-UHFFFAOYSA-N 1 0 242.407 2.241 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cnccc1C ZINC000411644125 191202086 /nfs/dbraw/zinc/20/20/86/191202086.db2.gz QIVKGVUOKNBVKN-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C[C@H](F)CC ZINC000411642844 191202744 /nfs/dbraw/zinc/20/27/44/191202744.db2.gz HQAGZAULGSJEIC-GFCCVEGCSA-N 1 0 216.344 2.174 20 30 BEEDRO CCOC[C@@H]([NH2+][C@H](C)CCC#N)C(C)C ZINC000411726468 191208364 /nfs/dbraw/zinc/20/83/64/191208364.db2.gz YDYJPAOODJIXSL-VXGBXAGGSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[N@H+](C[C@H](C)OC)CC1(CC#N)CC1 ZINC000383110999 352431036 /nfs/dbraw/zinc/43/10/36/352431036.db2.gz OOWOSLYPYRNDKC-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CCCN(CC[NH+]1CCCC1)[C@@H](C)CCC#N ZINC000411720450 191205724 /nfs/dbraw/zinc/20/57/24/191205724.db2.gz PXXMFLNXNWKTJB-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO C[C@H](CCC#N)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000411722514 191206747 /nfs/dbraw/zinc/20/67/47/191206747.db2.gz VDZXOKCYPGWGGU-MCIONIFRSA-N 1 0 235.375 2.237 20 30 BEEDRO CCCCO[C@H]1C[C@@H]([NH2+]CCC#N)C1(C)C ZINC000411720336 191206775 /nfs/dbraw/zinc/20/67/75/191206775.db2.gz MUBDTSHKHZDLIZ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411740839 191207423 /nfs/dbraw/zinc/20/74/23/191207423.db2.gz YRSYNNRBYSYNRA-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO CCOC[C@@H]([NH2+][C@@H](C)CCC#N)C(C)C ZINC000411726464 191207544 /nfs/dbraw/zinc/20/75/44/191207544.db2.gz YDYJPAOODJIXSL-NWDGAFQWSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@@H]1COc2ccccc21 ZINC000411526970 191191740 /nfs/dbraw/zinc/19/17/40/191191740.db2.gz CZCIDJUVYJECMY-JQWIXIFHSA-N 1 0 216.284 2.054 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@H]1Oc2ccccc2[C@@H]1C ZINC000411542613 191193098 /nfs/dbraw/zinc/19/30/98/191193098.db2.gz ZXSJNKSLUDZTMD-MJVIPROJSA-N 1 0 230.311 2.443 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCOCC2(CCC2)C1 ZINC000411532140 191193150 /nfs/dbraw/zinc/19/31/50/191193150.db2.gz XUOFUVVXDSACJV-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000411542606 191193300 /nfs/dbraw/zinc/19/33/00/191193300.db2.gz ZXSJNKSLUDZTMD-COPLHBTASA-N 1 0 230.311 2.443 20 30 BEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCCC#N ZINC000411556132 191193778 /nfs/dbraw/zinc/19/37/78/191193778.db2.gz XLAUNLORBDXCIJ-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO CC[C@H](C)[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000411798424 191212387 /nfs/dbraw/zinc/21/23/87/191212387.db2.gz VJZXDPUTUIXBOX-QWHCGFSZSA-N 1 0 223.364 2.095 20 30 BEEDRO CCn1cc([C@H](C)[NH2+][C@H](C)CCC#N)cn1 ZINC000411805572 191212548 /nfs/dbraw/zinc/21/25/48/191212548.db2.gz UIQQOWZLRSIHHP-MNOVXSKESA-N 1 0 220.320 2.246 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000411763186 191208925 /nfs/dbraw/zinc/20/89/25/191208925.db2.gz YOZOYDZRXGOMGZ-LXTVHRRPSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000411760299 191208943 /nfs/dbraw/zinc/20/89/43/191208943.db2.gz RWSJHLMZXVABKA-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)OC ZINC000336742593 352458329 /nfs/dbraw/zinc/45/83/29/352458329.db2.gz XDDOKTMTFTZUGZ-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO CC#CCN(C)C(=O)Nc1c(C)ccnc1C ZINC000297122244 352466561 /nfs/dbraw/zinc/46/65/61/352466561.db2.gz RSULBGSZVVFBJU-UHFFFAOYSA-N 1 0 231.299 2.185 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000411780640 191210960 /nfs/dbraw/zinc/21/09/60/191210960.db2.gz ALBIVLVQTROOLV-MQYQWHSLSA-N 1 0 236.359 2.162 20 30 BEEDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000388260365 352489662 /nfs/dbraw/zinc/48/96/62/352489662.db2.gz BEPCHECNQLFODT-ABAIWWIYSA-N 1 0 244.338 2.461 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411836918 191214333 /nfs/dbraw/zinc/21/43/33/191214333.db2.gz ALRFPKMQRKWNLE-BNOWGMLFSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)c1nc(C)cc(C)n1 ZINC001640086602 1172151516 /nfs/dbraw/zinc/15/15/16/1172151516.db2.gz NLKYNDZVVZKRGO-UHFFFAOYSA-N 1 0 248.374 2.038 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000232316097 352618344 /nfs/dbraw/zinc/61/83/44/352618344.db2.gz WOFWWJSPWPCVMF-CMPLNLGQSA-N 1 0 217.316 2.175 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411923038 191227767 /nfs/dbraw/zinc/22/77/67/191227767.db2.gz KCMNNKLRDRIOET-CABCVRRESA-N 1 0 229.323 2.208 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411852761 191220947 /nfs/dbraw/zinc/22/09/47/191220947.db2.gz RHTSQHWLIYRENG-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](CC(C)C)OC ZINC000638758122 352693161 /nfs/dbraw/zinc/69/31/61/352693161.db2.gz SODBNWYXTBBDMO-ZDUSSCGKSA-N 1 0 229.364 2.230 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411968190 191234519 /nfs/dbraw/zinc/23/45/19/191234519.db2.gz IYFGTWXFTZYZPJ-TZMCWYRMSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCCC1CCCCC1 ZINC000336744496 352696512 /nfs/dbraw/zinc/69/65/12/352696512.db2.gz ZMQDOUFBMVPUDQ-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](C)CC(C)C ZINC000336745127 352701222 /nfs/dbraw/zinc/70/12/22/352701222.db2.gz AWERRFVAUDLRPY-STQMWFEESA-N 1 0 213.365 2.443 20 30 BEEDRO COC1([C@H](C)[NH2+]CC2(C#N)CCC2)CCC1 ZINC000412020213 191238831 /nfs/dbraw/zinc/23/88/31/191238831.db2.gz HYKAJCUILGMWRA-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412028519 191241391 /nfs/dbraw/zinc/24/13/91/191241391.db2.gz BIXWNXOYOQNADR-YWPYICTPSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412047151 191244008 /nfs/dbraw/zinc/24/40/08/191244008.db2.gz RYYUFCHOXPGBST-VXGBXAGGSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)C[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412011170 191244014 /nfs/dbraw/zinc/24/40/14/191244014.db2.gz JJRHDAMKJKHWKJ-UHFFFAOYSA-N 1 0 235.371 2.339 20 30 BEEDRO CO[C@](C)([C@@H](C)[NH2+]CCCCC#N)C1CC1 ZINC000411939273 191230105 /nfs/dbraw/zinc/23/01/05/191230105.db2.gz FJTMICHCCLGXBC-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CCCCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411936603 191230565 /nfs/dbraw/zinc/23/05/65/191230565.db2.gz ISLGDBQSKHMWEH-GJZGRUSLSA-N 1 0 244.338 2.488 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]CCCCC#N)C1CC1 ZINC000411939278 191231081 /nfs/dbraw/zinc/23/10/81/191231081.db2.gz FJTMICHCCLGXBC-YPMHNXCESA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](OC)[C@H](C)CC ZINC000638756849 352686279 /nfs/dbraw/zinc/68/62/79/352686279.db2.gz DDCXBKKQHFSWDK-OLZOCXBDSA-N 1 0 229.364 2.230 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000638756850 352686379 /nfs/dbraw/zinc/68/63/79/352686379.db2.gz DDCXBKKQHFSWDK-QWHCGFSZSA-N 1 0 229.364 2.230 20 30 BEEDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336745342 352730142 /nfs/dbraw/zinc/73/01/42/352730142.db2.gz QRUOUYVWQRAIRE-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336745344 352731267 /nfs/dbraw/zinc/73/12/67/352731267.db2.gz QRUOUYVWQRAIRE-VOAKCMCISA-N 1 0 222.332 2.226 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000336745381 352732038 /nfs/dbraw/zinc/73/20/38/352732038.db2.gz QTWHIAQRXCXXCY-JSGCOSHPSA-N 1 0 219.328 2.002 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412060737 191245985 /nfs/dbraw/zinc/24/59/85/191245985.db2.gz GUTRZLMEZDRDAL-CYBMUJFWSA-N 1 0 225.332 2.228 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000334192915 352784163 /nfs/dbraw/zinc/78/41/63/352784163.db2.gz REYVNQQXPZSNRF-CQSZACIVSA-N 1 0 221.344 2.292 20 30 BEEDRO C=C(C)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000334201601 352794803 /nfs/dbraw/zinc/79/48/03/352794803.db2.gz OJFKDZZBLJXUBW-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000334235467 352852799 /nfs/dbraw/zinc/85/27/99/352852799.db2.gz KIDOZWMDIUCDLJ-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C ZINC000342810315 352861407 /nfs/dbraw/zinc/86/14/07/352861407.db2.gz XHQPKDVNOTWXJA-XQQFMLRXSA-N 1 0 243.391 2.089 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccncc1 ZINC000320333493 259428339 /nfs/dbraw/zinc/42/83/39/259428339.db2.gz ZCYZEKJYWKSCRD-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO COCCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336747520 352907733 /nfs/dbraw/zinc/90/77/33/352907733.db2.gz BYBJPSQDJAXFAR-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO N#CCCN1CCS[C@@H]2CCCC[C@H]21 ZINC000334266662 352902152 /nfs/dbraw/zinc/90/21/52/352902152.db2.gz NVNFZNFOSWLLLZ-GHMZBOCLSA-N 1 0 210.346 2.260 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)C1CCCCCC1 ZINC000336748357 352965838 /nfs/dbraw/zinc/96/58/38/352965838.db2.gz DIVOIKUEHWTOEA-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC#N ZINC000334356075 352996186 /nfs/dbraw/zinc/99/61/86/352996186.db2.gz MDNXIELGQBHOMO-KGLIPLIRSA-N 1 0 243.354 2.105 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1CC#N ZINC000334356074 352996313 /nfs/dbraw/zinc/99/63/13/352996313.db2.gz MDNXIELGQBHOMO-KBPBESRZSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CC1(C(C)C)CC1 ZINC000638829021 353008266 /nfs/dbraw/zinc/00/82/66/353008266.db2.gz IEFIRZWNINFQGT-LBPRGKRZSA-N 1 0 211.349 2.197 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](CC)[NH2+]C ZINC000638865452 353039183 /nfs/dbraw/zinc/03/91/83/353039183.db2.gz HVNRVZKJYOVHSF-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000638875189 353041415 /nfs/dbraw/zinc/04/14/15/353041415.db2.gz OFIGVCRVHKIPMB-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccccc1C#N ZINC000185345846 188000374 /nfs/dbraw/zinc/00/03/74/188000374.db2.gz ZHFWIHDHOSCFOJ-OAHLLOKOSA-N 1 0 246.354 2.397 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189580853 188002216 /nfs/dbraw/zinc/00/22/16/188002216.db2.gz KMYTYRPQJKWEFO-LLVKDONJSA-N 1 0 219.332 2.421 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(F)(F)F ZINC000336752804 353086177 /nfs/dbraw/zinc/08/61/77/353086177.db2.gz HEBJAJCWNUUTHG-IWSPIJDZSA-N 1 0 220.238 2.467 20 30 BEEDRO CCCC[C@H](COC)[NH2+]CC(C)(C)C#N ZINC000336729606 353123580 /nfs/dbraw/zinc/12/35/80/353123580.db2.gz JEFKLFHSMNTJOA-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000294803810 188038836 /nfs/dbraw/zinc/03/88/36/188038836.db2.gz NDAOVFQGWRMVGA-ZDUSSCGKSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CCN(C)CC)cc1 ZINC000049938265 188045516 /nfs/dbraw/zinc/04/55/16/188045516.db2.gz IBGIPBIFJRCBSV-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000293738394 188051277 /nfs/dbraw/zinc/05/12/77/188051277.db2.gz NIEDWOXAFBCIIC-ZDUSSCGKSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1(C)C ZINC000336760085 353170061 /nfs/dbraw/zinc/17/00/61/353170061.db2.gz JMIGNQPVUYSFGP-WISYIIOYSA-N 1 0 222.332 2.082 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000336760000 353170228 /nfs/dbraw/zinc/17/02/28/353170228.db2.gz LVNOSPIOBKHCKQ-WUHRBBMRSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CC1CCCC1 ZINC000336759751 353170777 /nfs/dbraw/zinc/17/07/77/353170777.db2.gz LOSDDIXCMMNVRN-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCOCC[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000638969826 353176524 /nfs/dbraw/zinc/17/65/24/353176524.db2.gz NUFCKGCAXRIFRR-OAHLLOKOSA-N 1 0 249.354 2.036 20 30 BEEDRO C=CCOCC[NH2+]CCc1ccc(C)cc1 ZINC000638971654 353179181 /nfs/dbraw/zinc/17/91/81/353179181.db2.gz TWHNNSWUIYJKOG-UHFFFAOYSA-N 1 0 219.328 2.330 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000331025024 353207947 /nfs/dbraw/zinc/20/79/47/353207947.db2.gz VOMVIGHHXYRUHZ-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000331025025 353207981 /nfs/dbraw/zinc/20/79/81/353207981.db2.gz VOMVIGHHXYRUHZ-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000336762861 353210607 /nfs/dbraw/zinc/21/06/07/353210607.db2.gz OETRDADGDZUZJE-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331351895 353245953 /nfs/dbraw/zinc/24/59/53/353245953.db2.gz OKCLUYBMAVOQSX-GHMZBOCLSA-N 1 0 238.331 2.000 20 30 BEEDRO C#CCOc1ccc(C[N@@H+](C)CC)cc1 ZINC000126294092 353247410 /nfs/dbraw/zinc/24/74/10/353247410.db2.gz XIATYIGOOLAGSK-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO CC(C)n1ccnc1CN[C@H]1CCC[C@H]1C#N ZINC000331303856 353243096 /nfs/dbraw/zinc/24/30/96/353243096.db2.gz ANAYPAHYEJSTED-RYUDHWBXSA-N 1 0 232.331 2.246 20 30 BEEDRO O[C@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000127707866 353273833 /nfs/dbraw/zinc/27/38/33/353273833.db2.gz SNLYRQQWCKRTHP-AWEZNQCLSA-N 1 0 249.741 2.148 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000336768524 353283198 /nfs/dbraw/zinc/28/31/98/353283198.db2.gz QWWLCGLCNXYYLR-WHOHXGKFSA-N 1 0 225.332 2.128 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CCCO)CC(C)(C)C ZINC000128359504 353287277 /nfs/dbraw/zinc/28/72/77/353287277.db2.gz MWMGUZJJHHWEIP-ZDUSSCGKSA-N 1 0 243.391 2.044 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000175133374 188252211 /nfs/dbraw/zinc/25/22/11/188252211.db2.gz RORRYEMIVCXTTN-CYBMUJFWSA-N 1 0 202.301 2.185 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1F ZINC000310617023 188255039 /nfs/dbraw/zinc/25/50/39/188255039.db2.gz FHVMYTSROZJGIR-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO C#CC[C@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000271471638 188263463 /nfs/dbraw/zinc/26/34/63/188263463.db2.gz IKTSVUGKIXQSCL-OCCSQVGLSA-N 1 0 217.312 2.376 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000278643946 188267310 /nfs/dbraw/zinc/26/73/10/188267310.db2.gz HRMHZIMKVCZMMK-JQWIXIFHSA-N 1 0 223.316 2.484 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cccc(C#N)c1 ZINC000038087454 188290396 /nfs/dbraw/zinc/29/03/96/188290396.db2.gz GFGLFDKAIIDIII-VXGBXAGGSA-N 1 0 231.343 2.159 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000162135300 353306098 /nfs/dbraw/zinc/30/60/98/353306098.db2.gz QNKGNLDZYSJTLG-HNNXBMFYSA-N 1 0 249.329 2.174 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000304376950 188323443 /nfs/dbraw/zinc/32/34/43/188323443.db2.gz XGWZYDNFPSOMTK-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C[N@H+](CCc1nccs1)Cc1ccc(C#N)o1 ZINC000093843861 188319360 /nfs/dbraw/zinc/31/93/60/188319360.db2.gz IMPXITMQSUGGAI-UHFFFAOYSA-N 1 0 247.323 2.282 20 30 BEEDRO CCC(N)=[NH+]OCc1ncc(C(C)(C)C)o1 ZINC000268510508 535226658 /nfs/dbraw/zinc/22/66/58/535226658.db2.gz RSEPQGNEYFOCMH-UHFFFAOYSA-N 1 0 225.292 2.171 20 30 BEEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000130995265 353363331 /nfs/dbraw/zinc/36/33/31/353363331.db2.gz NXODDKLNABEBMX-LLVKDONJSA-N 1 0 248.326 2.065 20 30 BEEDRO CC#CCC[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000156078551 188329542 /nfs/dbraw/zinc/32/95/42/188329542.db2.gz VPUPMVNHLFTSTA-UHFFFAOYSA-N 1 0 235.327 2.450 20 30 BEEDRO CC#CC[N@H+](C)CCOc1ccccc1F ZINC000157476798 188331380 /nfs/dbraw/zinc/33/13/80/188331380.db2.gz ARYQXKHBNSYFOS-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO C[C@@H]1CSCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000190402323 353394320 /nfs/dbraw/zinc/39/43/20/353394320.db2.gz UMFPLLSQEZUTHX-RYUDHWBXSA-N 1 0 237.372 2.115 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000080958983 353395103 /nfs/dbraw/zinc/39/51/03/353395103.db2.gz LWACMMJGIGKQQU-NSHDSACASA-N 1 0 205.305 2.165 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000131617795 353370925 /nfs/dbraw/zinc/37/09/25/353370925.db2.gz OWUGBQJHEFVDDM-MEDUHNTESA-N 1 0 235.352 2.098 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000131618010 353371518 /nfs/dbraw/zinc/37/15/18/353371518.db2.gz OWUGBQJHEFVDDM-BDJLRTHQSA-N 1 0 235.352 2.098 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132868497 353388438 /nfs/dbraw/zinc/38/84/38/353388438.db2.gz AFODOIURFPRMAP-AXFHLTTASA-N 1 0 227.735 2.286 20 30 BEEDRO CC#CC[N@H+](C)[C@H](CCO)c1ccccc1 ZINC000266599436 188372900 /nfs/dbraw/zinc/37/29/00/188372900.db2.gz PORYACJEOKPCAU-CQSZACIVSA-N 1 0 217.312 2.065 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1sccc1C ZINC000134402119 353494680 /nfs/dbraw/zinc/49/46/80/353494680.db2.gz BDGDBWHLTFEOHW-JTQLQIEISA-N 1 0 238.356 2.009 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1c[nH]c(C(=O)OC)c1 ZINC000093533644 353490358 /nfs/dbraw/zinc/49/03/58/353490358.db2.gz LUYNRLUYJVVIRK-UHFFFAOYSA-N 1 0 236.315 2.199 20 30 BEEDRO CC#CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282359022 353469051 /nfs/dbraw/zinc/46/90/51/353469051.db2.gz DBZGIFNPHQNHRW-UHFFFAOYSA-N 1 0 246.310 2.483 20 30 BEEDRO C#CCCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282503562 353474670 /nfs/dbraw/zinc/47/46/70/353474670.db2.gz RDCAAWAJSQNPDF-UHFFFAOYSA-N 1 0 246.310 2.483 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000191749206 353508097 /nfs/dbraw/zinc/50/80/97/353508097.db2.gz AAXSLANDAGJFLQ-HZMBPMFUSA-N 1 0 248.301 2.212 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccccc1O ZINC000134812274 353516357 /nfs/dbraw/zinc/51/63/57/353516357.db2.gz WLWSNXNRFHEDDW-LLVKDONJSA-N 1 0 235.352 2.409 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134810445 353516388 /nfs/dbraw/zinc/51/63/88/353516388.db2.gz BSLNOCSTGOUHPF-CABCVRRESA-N 1 0 247.313 2.347 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000309145805 491052562 /nfs/dbraw/zinc/05/25/62/491052562.db2.gz VDDWTAOYLQEILL-LOWDOPEQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)CN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284820586 353521665 /nfs/dbraw/zinc/52/16/65/353521665.db2.gz QYKZJUKKSRLPIX-MRXNPFEDSA-N 1 0 244.382 2.421 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285309183 353533069 /nfs/dbraw/zinc/53/30/69/353533069.db2.gz HYBZEHLCAAFAPF-OCCSQVGLSA-N 1 0 249.358 2.264 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000285593713 353535918 /nfs/dbraw/zinc/53/59/18/353535918.db2.gz BOXQJKSUCNQGOP-UHFFFAOYSA-N 1 0 242.322 2.410 20 30 BEEDRO C#CCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285625966 353537564 /nfs/dbraw/zinc/53/75/64/353537564.db2.gz LCARQXADIGOHHA-UHFFFAOYSA-N 1 0 234.343 2.057 20 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C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183842909 353585119 /nfs/dbraw/zinc/58/51/19/353585119.db2.gz QUBOPVTXCJZXES-RYUDHWBXSA-N 1 0 248.374 2.305 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183842922 353585253 /nfs/dbraw/zinc/58/52/53/353585253.db2.gz QUBOPVTXCJZXES-NEPJUHHUSA-N 1 0 248.374 2.305 20 30 BEEDRO C=CCCCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000193554939 353592897 /nfs/dbraw/zinc/59/28/97/353592897.db2.gz CYHKZQSIAASGCD-AWEZNQCLSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000193505932 353597045 /nfs/dbraw/zinc/59/70/45/353597045.db2.gz PEYRMNHPENXJBL-YPMHNXCESA-N 1 0 236.359 2.012 20 30 BEEDRO C=C(Br)C[N@@H+](C)CC(C)C ZINC000062364752 353558543 /nfs/dbraw/zinc/55/85/43/353558543.db2.gz PMSGQHCFWXHDCY-UHFFFAOYSA-N 1 0 206.127 2.483 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Oc2ccccc2OC)C1 ZINC000286618198 353564038 /nfs/dbraw/zinc/56/40/38/353564038.db2.gz XMLJCFDOLXPUFN-CYBMUJFWSA-N 1 0 245.322 2.172 20 30 BEEDRO CC[N@@H+]1CCN(CC#Cc2ccccc2)[C@H](C)C1 ZINC000286752791 353570020 /nfs/dbraw/zinc/57/00/20/353570020.db2.gz YUYHCPZPFYFMQG-OAHLLOKOSA-N 1 0 242.366 2.064 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn2cc(C)ccc2n1)C(C)C ZINC000289641948 353624925 /nfs/dbraw/zinc/62/49/25/353624925.db2.gz XPOIYCVPXLOHPE-CQSZACIVSA-N 1 0 241.338 2.390 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000289666318 353625768 /nfs/dbraw/zinc/62/57/68/353625768.db2.gz GZEVDPSVSGIODE-ABAIWWIYSA-N 1 0 231.339 2.373 20 30 BEEDRO C#CC[N@@H+](CC[C@H](O)c1ccccc1)C1CC1 ZINC000289677218 353626038 /nfs/dbraw/zinc/62/60/38/353626038.db2.gz DKOZUFNLQJUCGC-HNNXBMFYSA-N 1 0 229.323 2.208 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(OC)cc(OC)c1)C(C)C ZINC000289370522 353626076 /nfs/dbraw/zinc/62/60/76/353626076.db2.gz LIQQFIZDOWJVNQ-OAHLLOKOSA-N 1 0 247.338 2.451 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289398461 353627638 /nfs/dbraw/zinc/62/76/38/353627638.db2.gz NPDYZPPMRSVVAH-HOTGVXAUSA-N 1 0 242.366 2.435 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000289566257 353632852 /nfs/dbraw/zinc/63/28/52/353632852.db2.gz ARIFRQLLJZQKEW-KOLCDFICSA-N 1 0 248.351 2.494 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C(C)C ZINC000289564018 353632888 /nfs/dbraw/zinc/63/28/88/353632888.db2.gz RZVXUAOXGFWDHS-CYBMUJFWSA-N 1 0 221.275 2.279 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2ccc(C)cn12)C(C)C ZINC000289619264 353633185 /nfs/dbraw/zinc/63/31/85/353633185.db2.gz WGKHTHDIPMEEIB-AWEZNQCLSA-N 1 0 241.338 2.390 20 30 BEEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343314860 353634399 /nfs/dbraw/zinc/63/43/99/353634399.db2.gz OPTNQXGYYAMVPZ-VXGBXAGGSA-N 1 0 236.359 2.426 20 30 BEEDRO N#CC1(CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000343314412 353638845 /nfs/dbraw/zinc/63/88/45/353638845.db2.gz NHGMDLMMSVNFIK-CQSZACIVSA-N 1 0 247.386 2.240 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000289837503 353639467 /nfs/dbraw/zinc/63/94/67/353639467.db2.gz UQVHZHOJMKRHHA-JKSUJKDBSA-N 1 0 243.350 2.309 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000289842413 353639496 /nfs/dbraw/zinc/63/94/96/353639496.db2.gz PYTRKTBZGMGQLB-RRFJBIMHSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000289842416 353640343 /nfs/dbraw/zinc/64/03/43/353640343.db2.gz PYTRKTBZGMGQLB-ZNMIVQPWSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000289875252 353640684 /nfs/dbraw/zinc/64/06/84/353640684.db2.gz RRCGPLMJGCHMKF-RISCZKNCSA-N 1 0 237.318 2.283 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1)CC1=CCCOC1 ZINC000289926568 353643395 /nfs/dbraw/zinc/64/33/95/353643395.db2.gz XRZZSAFLFKLKKO-UHFFFAOYSA-N 1 0 241.334 2.469 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C[C@H](CC)OC)cc1 ZINC000289902815 353643461 /nfs/dbraw/zinc/64/34/61/353643461.db2.gz UGYLNZBDAYLDKC-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000289952073 353644140 /nfs/dbraw/zinc/64/41/40/353644140.db2.gz WLSWPPPQLQPKPO-HRDQMINSSA-N 1 0 235.302 2.208 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)co1)C(C)(C)C ZINC000290172547 353650834 /nfs/dbraw/zinc/65/08/34/353650834.db2.gz MZJKEMXYAVOTOL-LBPRGKRZSA-N 1 0 249.310 2.204 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000336780886 353609602 /nfs/dbraw/zinc/60/96/02/353609602.db2.gz SKFSWQCLAUJICC-TZMCWYRMSA-N 1 0 231.364 2.379 20 30 BEEDRO C=CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840670 353611048 /nfs/dbraw/zinc/61/10/48/353611048.db2.gz ONMFUARKTAOPNP-OAHLLOKOSA-N 1 0 249.329 2.239 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cncc(OC)c1 ZINC000290349947 353661573 /nfs/dbraw/zinc/66/15/73/353661573.db2.gz PZEDFOZCNKUECY-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](OC)C(C)C)cc1 ZINC000290393883 353662356 /nfs/dbraw/zinc/66/23/56/353662356.db2.gz OTJLUVVWUNETKN-OAHLLOKOSA-N 1 0 231.339 2.429 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000290407655 353663081 /nfs/dbraw/zinc/66/30/81/353663081.db2.gz PYRPZVZXMCBQAR-WFASDCNBSA-N 1 0 229.323 2.325 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291395904 353691710 /nfs/dbraw/zinc/69/17/10/353691710.db2.gz BOLJQWIVOCTLDY-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO N#CC1(CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000343316357 353654529 /nfs/dbraw/zinc/65/45/29/353654529.db2.gz SAUORSHVMOOXCY-CQSZACIVSA-N 1 0 247.386 2.098 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000184962112 353734156 /nfs/dbraw/zinc/73/41/56/353734156.db2.gz JLBCVTYFTRYYEG-UHFFFAOYSA-N 1 0 232.283 2.440 20 30 BEEDRO O[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000293176989 353735726 /nfs/dbraw/zinc/73/57/26/353735726.db2.gz PMUOJAKNRKPUPR-HNNXBMFYSA-N 1 0 247.313 2.024 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291828221 353700302 /nfs/dbraw/zinc/70/03/02/353700302.db2.gz OCECMIOQQKEJQV-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO C=CC[N@@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000292322571 353716112 /nfs/dbraw/zinc/71/61/12/353716112.db2.gz FKIWREQQECJBLA-NSHDSACASA-N 1 0 203.285 2.456 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(C)(C)COC)cc1 ZINC000292781123 353724404 /nfs/dbraw/zinc/72/44/04/353724404.db2.gz LJEAFCGZUNXTHW-UHFFFAOYSA-N 1 0 231.339 2.430 20 30 BEEDRO COC1(C[NH2+]C[C@@H](C)C#N)CCCCC1 ZINC000308954226 353726162 /nfs/dbraw/zinc/72/61/62/353726162.db2.gz QAASHMZOMDAYOG-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccccc1F ZINC000293560333 353748429 /nfs/dbraw/zinc/74/84/29/353748429.db2.gz RYWGKGXHLSZIGO-UHFFFAOYSA-N 1 0 223.291 2.460 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]CC#Cc1ccccc1 ZINC000232696660 353749497 /nfs/dbraw/zinc/74/94/97/353749497.db2.gz MWMLSNZWFJCXNP-OAHLLOKOSA-N 1 0 231.339 2.035 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1ccco1 ZINC000293531121 353752780 /nfs/dbraw/zinc/75/27/80/353752780.db2.gz POBNNKRRJMBUOD-NSHDSACASA-N 1 0 209.289 2.475 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]CC#Cc1ccccc1 ZINC000232708371 353760063 /nfs/dbraw/zinc/76/00/63/353760063.db2.gz MWMLSNZWFJCXNP-HNNXBMFYSA-N 1 0 231.339 2.035 20 30 BEEDRO 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N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000306092632 181110206 /nfs/dbraw/zinc/11/02/06/181110206.db2.gz KPAAYCUAYZNBDT-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCOC3)C2)o1 ZINC000336225058 181103336 /nfs/dbraw/zinc/10/33/36/181103336.db2.gz ZUAMIFAGURDTAP-AWEZNQCLSA-N 1 0 246.310 2.154 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000019488351 181104048 /nfs/dbraw/zinc/10/40/48/181104048.db2.gz TWJGHJVOWRFXSL-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)o1 ZINC000093443151 181105747 /nfs/dbraw/zinc/10/57/47/181105747.db2.gz CNQASUSDRXJQID-GHMZBOCLSA-N 1 0 216.284 2.383 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCC(O)CC2)s1 ZINC000135494482 181107040 /nfs/dbraw/zinc/10/70/40/181107040.db2.gz ZJACTXIHKQTEJC-UHFFFAOYSA-N 1 0 236.340 2.013 20 30 BEEDRO N#Cc1ccc(NCC[NH+]2CCCC2)cc1 ZINC000049933862 181121245 /nfs/dbraw/zinc/12/12/45/181121245.db2.gz KCPCOQCTNFCCRZ-UHFFFAOYSA-N 1 0 215.300 2.066 20 30 BEEDRO N#Cc1ccc(NC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000061847083 181122154 /nfs/dbraw/zinc/12/21/54/181122154.db2.gz XPNVDNNNWICDOV-NSHDSACASA-N 1 0 235.718 2.376 20 30 BEEDRO N#Cc1ccc(Cl)cc1N1CCC[NH2+]CC1 ZINC000062784841 181111566 /nfs/dbraw/zinc/11/15/66/181111566.db2.gz KRKXQWMFOLDILQ-UHFFFAOYSA-N 1 0 235.718 2.011 20 30 BEEDRO N#Cc1ccc(N2CCC[NH2+]CC2)cc1Cl ZINC000061845165 181115408 /nfs/dbraw/zinc/11/54/08/181115408.db2.gz IUTWESOGAVGKCG-UHFFFAOYSA-N 1 0 235.718 2.011 20 30 BEEDRO N#Cc1ccc(N2CCc3c[nH+]ccc32)nc1 ZINC000075103617 181116631 /nfs/dbraw/zinc/11/66/31/181116631.db2.gz XGFQFBJZHXCINX-UHFFFAOYSA-N 1 0 222.251 2.042 20 30 BEEDRO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000129913801 181124275 /nfs/dbraw/zinc/12/42/75/181124275.db2.gz GODHZGWLPYRQHS-AWEZNQCLSA-N 1 0 244.342 2.273 20 30 BEEDRO CCc1cc(N2CCC(C#N)CC2)cc[nH+]1 ZINC000334655571 354449130 /nfs/dbraw/zinc/44/91/30/354449130.db2.gz MBMGCGHWMAUKKF-UHFFFAOYSA-N 1 0 215.300 2.384 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCCCC2)cc1 ZINC000034674194 181130080 /nfs/dbraw/zinc/13/00/80/181130080.db2.gz VVEJCXPSGMOUPV-CQSZACIVSA-N 1 0 230.311 2.078 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC000353276803 181132440 /nfs/dbraw/zinc/13/24/40/181132440.db2.gz SMLFWDVXSWLSSK-IUODEOHRSA-N 1 0 242.322 2.172 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000224381364 181138224 /nfs/dbraw/zinc/13/82/24/181138224.db2.gz XNCFROYHBJCOIP-ZDUSSCGKSA-N 1 0 232.352 2.401 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOCC2)c1 ZINC000086873381 181138422 /nfs/dbraw/zinc/13/84/22/181138422.db2.gz LVLIRSSCGLYGAW-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000050269179 181137505 /nfs/dbraw/zinc/13/75/05/181137505.db2.gz HFHNLGGKDCLMIO-CQSZACIVSA-N 1 0 228.295 2.341 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275034529 181145337 /nfs/dbraw/zinc/14/53/37/181145337.db2.gz DBFWMZWRKHODNA-DOMZBBRYSA-N 1 0 244.338 2.199 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335097236 354637518 /nfs/dbraw/zinc/63/75/18/354637518.db2.gz BPQPHTPICLARDL-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000335083228 354616923 /nfs/dbraw/zinc/61/69/23/354616923.db2.gz HPHOCCQUAJPLLD-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CN1C ZINC000351957911 134017084 /nfs/dbraw/zinc/01/70/84/134017084.db2.gz IRNNMQXSGDNSLK-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345725183 354744367 /nfs/dbraw/zinc/74/43/67/354744367.db2.gz WZHBYQOURCSNQK-GXTWGEPZSA-N 1 0 238.375 2.319 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000345936480 354813404 /nfs/dbraw/zinc/81/34/04/354813404.db2.gz QXOPJWNMDULHOO-GFCCVEGCSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000301051026 363395290 /nfs/dbraw/zinc/39/52/90/363395290.db2.gz TVPYFHIGRVVXIJ-GHMZBOCLSA-N 1 0 225.332 2.082 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000234796395 363431565 /nfs/dbraw/zinc/43/15/65/363431565.db2.gz HDTAJFMSCYNEIC-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1ccncc1NCc1cn2ccccc2n1 ZINC000354571734 181160302 /nfs/dbraw/zinc/16/03/02/181160302.db2.gz RFNIYSWEOVIGKA-UHFFFAOYSA-N 1 0 249.277 2.213 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000336222313 535273257 /nfs/dbraw/zinc/27/32/57/535273257.db2.gz VKYLQLYACKCCRH-UHFFFAOYSA-N 1 0 236.359 2.354 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1cnns1 ZINC000335198740 355031985 /nfs/dbraw/zinc/03/19/85/355031985.db2.gz ZTRQWMGTWFRQKO-SECBINFHSA-N 1 0 209.318 2.079 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](OC)C1CCOCC1 ZINC000639227891 355093885 /nfs/dbraw/zinc/09/38/85/355093885.db2.gz GBZHRDQGUMXNRA-ZDUSSCGKSA-N 1 0 241.375 2.230 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000335247661 355163303 /nfs/dbraw/zinc/16/33/03/355163303.db2.gz GPHAWQNHUSJWEL-UONOGXRCSA-N 1 0 217.312 2.370 20 30 BEEDRO C[C@H](c1cnn(C)c1)[N@H+](C)CCC(C)(C)C#N ZINC000346953587 355166148 /nfs/dbraw/zinc/16/61/48/355166148.db2.gz FWCAHVPMSHJHEB-LLVKDONJSA-N 1 0 234.347 2.353 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000639229076 355127602 /nfs/dbraw/zinc/12/76/02/355127602.db2.gz TUNDGCYXGZKCRP-UHFFFAOYSA-N 1 0 248.326 2.155 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)C1CCCCCC1 ZINC000346834039 355130480 /nfs/dbraw/zinc/13/04/80/355130480.db2.gz NMIMHODJNDDDQC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC1(C#N)CC[NH+](CCOC2CCC2)CC1 ZINC000346934773 355182613 /nfs/dbraw/zinc/18/26/13/355182613.db2.gz CLLLZDKYUZHARN-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639232911 355214729 /nfs/dbraw/zinc/21/47/29/355214729.db2.gz QZCSGDCNSVZCAT-QCNOEVLYSA-N 1 0 227.373 2.204 20 30 BEEDRO C=CCOc1cccc(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000347006974 355202550 /nfs/dbraw/zinc/20/25/50/355202550.db2.gz DBHUWFXCDSADPQ-ZDUSSCGKSA-N 1 0 246.354 2.045 20 30 BEEDRO [NH2+]=C(NCc1ccccc1F)NC1CCCC1 ZINC000048069746 181178935 /nfs/dbraw/zinc/17/89/35/181178935.db2.gz IKEMYFCBIDYGMO-UHFFFAOYSA-N 1 0 235.306 2.173 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000336717937 358495566 /nfs/dbraw/zinc/49/55/66/358495566.db2.gz UUQSWXNUXFAEAW-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CCNc2cccc(C#N)n2)C1 ZINC000413440570 191383367 /nfs/dbraw/zinc/38/33/67/191383367.db2.gz OVLRJZWSIQCOJA-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ncccc1CC ZINC000349754896 355424454 /nfs/dbraw/zinc/42/44/54/355424454.db2.gz DVKZLRBADVEJAK-YPMHNXCESA-N 1 0 234.343 2.232 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000335790211 355441216 /nfs/dbraw/zinc/44/12/16/355441216.db2.gz SRUVLJNPTKUJIK-RYUDHWBXSA-N 1 0 238.375 2.140 20 30 BEEDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000385614899 355398721 /nfs/dbraw/zinc/39/87/21/355398721.db2.gz FYTVXACCQQOPPF-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000349756983 355461281 /nfs/dbraw/zinc/46/12/81/355461281.db2.gz JLEXPNYZSGFFQK-ZYHUDNBSSA-N 1 0 248.301 2.285 20 30 BEEDRO CCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000349799250 355465054 /nfs/dbraw/zinc/46/50/54/355465054.db2.gz HNJYPBQAYUXKLJ-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO COCCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000349802318 355466004 /nfs/dbraw/zinc/46/60/04/355466004.db2.gz NPOYTKDWOMGDLY-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)CCOC(C)C ZINC000349883916 355518543 /nfs/dbraw/zinc/51/85/43/355518543.db2.gz PMNBXBMXJUTGSA-CYBMUJFWSA-N 1 0 229.364 2.060 20 30 BEEDRO C=C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000335836291 355564024 /nfs/dbraw/zinc/56/40/24/355564024.db2.gz IOVMMBUZDJFCDW-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639317790 355712901 /nfs/dbraw/zinc/71/29/01/355712901.db2.gz VOKWYIYUZINMSW-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC23CC3)C1 ZINC000417335486 191794498 /nfs/dbraw/zinc/79/44/98/191794498.db2.gz IKRBLAHZTOQAEB-IJLUTSLNSA-N 1 0 204.317 2.458 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1sccc1OC ZINC000166735849 355834323 /nfs/dbraw/zinc/83/43/23/355834323.db2.gz CBZUNHIQPBQHQX-UHFFFAOYSA-N 1 0 241.356 2.439 20 30 BEEDRO COCC1(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000581010991 355836890 /nfs/dbraw/zinc/83/68/90/355836890.db2.gz AGXDDGRSDKFFBC-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000639382376 355928722 /nfs/dbraw/zinc/92/87/22/355928722.db2.gz XOHSDJKHABCUKV-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1sccc1OC ZINC000389213798 355884263 /nfs/dbraw/zinc/88/42/63/355884263.db2.gz JOIWXCBXRXDCAB-VIFPVBQESA-N 1 0 209.314 2.258 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000352112484 134068546 /nfs/dbraw/zinc/06/85/46/134068546.db2.gz BWGRLIOBHCYNAC-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H](CCC#N)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351488723 355999849 /nfs/dbraw/zinc/99/98/49/355999849.db2.gz ASTPFNSJUVHXLJ-KBPBESRZSA-N 1 0 237.391 2.485 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@H]1CCOC1 ZINC000192058688 355950554 /nfs/dbraw/zinc/95/05/54/355950554.db2.gz JVOOSOSVYWZLPA-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000418045103 191958595 /nfs/dbraw/zinc/95/85/95/191958595.db2.gz NGSHUCYHIZIJLM-UPJWGTAASA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccnc(C)n1 ZINC000351642325 356041077 /nfs/dbraw/zinc/04/10/77/356041077.db2.gz UYAHUFGMSWDTLK-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C[C@@H](CCC#N)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351643629 356042449 /nfs/dbraw/zinc/04/24/49/356042449.db2.gz IPZRRSFIFUMQOL-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)C[C@@H]1CCCCO1 ZINC000351611103 356027104 /nfs/dbraw/zinc/02/71/04/356027104.db2.gz YQCMJVLSFANRBE-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000351742056 356078531 /nfs/dbraw/zinc/07/85/31/356078531.db2.gz SWZCKAFQUOFEFJ-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](C)CCC(=O)c1ccc(OC)cc1 ZINC000351820946 356089809 /nfs/dbraw/zinc/08/98/09/356089809.db2.gz FXHRUSVUQDFIDZ-UHFFFAOYSA-N 1 0 233.311 2.386 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]2CO)ccc1C#N ZINC000336098036 134080979 /nfs/dbraw/zinc/08/09/79/134080979.db2.gz QZPSBHPGNHPGTL-IAQYHMDHSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H]2CO)ccc1C#N ZINC000336098038 134081043 /nfs/dbraw/zinc/08/10/43/134081043.db2.gz QZPSBHPGNHPGTL-NHYWBVRUSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000617614931 356184331 /nfs/dbraw/zinc/18/43/31/356184331.db2.gz UKNOVTISAFHVAK-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)[NH+](CCNc1ncccc1C#N)C(C)C ZINC000019473752 356193371 /nfs/dbraw/zinc/19/33/71/356193371.db2.gz QSEIHDUABAPXTD-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000351915888 356205128 /nfs/dbraw/zinc/20/51/28/356205128.db2.gz SHLFWJARPDVZHW-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617755820 356316865 /nfs/dbraw/zinc/31/68/65/356316865.db2.gz WEERFVFKUOAGQV-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO CCC1(CO)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336120906 134091129 /nfs/dbraw/zinc/09/11/29/134091129.db2.gz PYBWSGSOCVNBLZ-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CC1(F)CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000352462007 356361128 /nfs/dbraw/zinc/36/11/28/356361128.db2.gz AWZJNWZJKCRPOX-UHFFFAOYSA-N 1 0 248.301 2.007 20 30 BEEDRO C=CCCN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420392134 192236000 /nfs/dbraw/zinc/23/60/00/192236000.db2.gz UIJOTKLQOOEFNF-GXTWGEPZSA-N 1 0 234.318 2.128 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+](C)CCC ZINC000123543608 358504340 /nfs/dbraw/zinc/50/43/40/358504340.db2.gz PXRUIMHLGILDOR-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C[NH+](C)C1CCC(Nc2ncccc2C#N)CC1 ZINC000420627534 192251561 /nfs/dbraw/zinc/25/15/61/192251561.db2.gz NIKXQBRTSSVTRV-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C[C@@H](CC#N)NCc1ccc(F)c(F)c1 ZINC000049577736 356489212 /nfs/dbraw/zinc/48/92/12/356489212.db2.gz WQQIHWGJWNDWCC-QMMMGPOBSA-N 1 0 210.227 2.357 20 30 BEEDRO C=C(C)CN(C)Cc1nc(CC2CC2)no1 ZINC000639570323 356495216 /nfs/dbraw/zinc/49/52/16/356495216.db2.gz BTJUWVSRPSDAFE-UHFFFAOYSA-N 1 0 221.304 2.030 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000420960183 192280999 /nfs/dbraw/zinc/28/09/99/192280999.db2.gz GIXDKOXTCIJEQC-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@@H]1CN(CC2(C#N)CC2)C[C@H](CC)O1 ZINC000420959251 192281156 /nfs/dbraw/zinc/28/11/56/192281156.db2.gz QDFJEODKLFESMX-TXEJJXNPSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000352887495 535310330 /nfs/dbraw/zinc/31/03/30/535310330.db2.gz XVLZTIGPKKTRQU-OAHLLOKOSA-N 1 0 249.329 2.174 20 30 BEEDRO Cc1noc([C@@H](C)[NH2+]CC(C)(C)CCC#N)n1 ZINC000352253301 134118942 /nfs/dbraw/zinc/11/89/42/134118942.db2.gz VWOSHMSTEPOILL-SECBINFHSA-N 1 0 236.319 2.359 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421007248 192298937 /nfs/dbraw/zinc/29/89/37/192298937.db2.gz CFNXTKMZWWUPHK-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[N@@H+](CC)C1CC1 ZINC000179791171 366306523 /nfs/dbraw/zinc/30/65/23/366306523.db2.gz RFNLOTQRRSRKMS-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025016 192308488 /nfs/dbraw/zinc/30/84/88/192308488.db2.gz XWJDSXMXUTTXLQ-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C(C)(C)C ZINC000449913607 202053772 /nfs/dbraw/zinc/05/37/72/202053772.db2.gz RXONMYHIHMTWBZ-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@H]1CCSCC[N@@H+]1CC1(C#N)CC1 ZINC000336327502 134143567 /nfs/dbraw/zinc/14/35/67/134143567.db2.gz OAZINFLXYOIGRK-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000352413810 134143960 /nfs/dbraw/zinc/14/39/60/134143960.db2.gz QYRFIHLOXCEIOK-MELADBBJSA-N 1 0 239.359 2.221 20 30 BEEDRO CCC#C[C@H](C)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000639743788 356635998 /nfs/dbraw/zinc/63/59/98/356635998.db2.gz UYZVRXWPGIGLDQ-MELADBBJSA-N 1 0 222.376 2.203 20 30 BEEDRO C=C(C)CC[NH2+][C@]1(CO)C[C@H](OCC)C1(C)C ZINC000352407844 134144245 /nfs/dbraw/zinc/14/42/45/134144245.db2.gz SEYPQBLLXZDAFW-JSGCOSHPSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[NH+]1CCC(Cc2nc(C(C)C)n[nH]2)CC1 ZINC000639717824 356617663 /nfs/dbraw/zinc/61/76/63/356617663.db2.gz HMQHMJXXAFYPIW-UHFFFAOYSA-N 1 0 248.374 2.369 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000302358181 356617932 /nfs/dbraw/zinc/61/79/32/356617932.db2.gz JPRAKHSWFVAKTN-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C(C)CC[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000352423438 134144484 /nfs/dbraw/zinc/14/44/84/134144484.db2.gz XQYAUGCJLJTKCP-ZDUSSCGKSA-N 1 0 210.365 2.225 20 30 BEEDRO N#CC1(C[NH+]2C[C@H]3CCCC[C@@H]3C2)CC1 ZINC000336315965 134143108 /nfs/dbraw/zinc/14/31/08/134143108.db2.gz UUTSOSOPQFDTOG-VXGBXAGGSA-N 1 0 204.317 2.412 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000088259480 356644218 /nfs/dbraw/zinc/64/42/18/356644218.db2.gz UUNPTUITTOMFBM-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO COCC[N@H+](CC(C)C)CC1(C#N)CCC1 ZINC000450261406 202111912 /nfs/dbraw/zinc/11/19/12/202111912.db2.gz IIHROQOHROKXAN-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CCC#C[C@H](C)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000639746355 356638969 /nfs/dbraw/zinc/63/89/69/356638969.db2.gz DWTOSPCPLBETQA-KBPBESRZSA-N 1 0 236.403 2.450 20 30 BEEDRO C=C[C@H](CO)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000352473260 134146373 /nfs/dbraw/zinc/14/63/73/134146373.db2.gz RLBNEGMJQAELMI-AAOUONPWSA-N 1 0 239.265 2.115 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CO)C2CCCC2)C1 ZINC000353480777 134163872 /nfs/dbraw/zinc/16/38/72/134163872.db2.gz JAIAURPRAXNZCE-KWCYVHTRSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353595285 134164533 /nfs/dbraw/zinc/16/45/33/134164533.db2.gz JBAYIQOXVYQVFC-HIFRSBDPSA-N 1 0 242.322 2.072 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)COC ZINC000034991611 134161772 /nfs/dbraw/zinc/16/17/72/134161772.db2.gz YNWYHZKTKNLMGZ-LBPRGKRZSA-N 1 0 235.327 2.376 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1([NH+](C)C)CCC1 ZINC000353309492 134162949 /nfs/dbraw/zinc/16/29/49/134162949.db2.gz CYRIDDOMVFTXGV-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC#N)C1 ZINC000353321969 134163149 /nfs/dbraw/zinc/16/31/49/134163149.db2.gz SCRQOJLLZXDXQG-DZGCQCFKSA-N 1 0 243.354 2.325 20 30 BEEDRO CCCN(CC#N)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450416383 202159429 /nfs/dbraw/zinc/15/94/29/202159429.db2.gz GKBQNRUTXFWUEH-AWEZNQCLSA-N 1 0 237.391 2.485 20 30 BEEDRO CC1(C)CCC[C@]1(O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000354151234 356731305 /nfs/dbraw/zinc/73/13/05/356731305.db2.gz WNXDOIQJFHOBIW-OBJOEFQTSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000354067730 134166526 /nfs/dbraw/zinc/16/65/26/134166526.db2.gz FOVBTHWAVKLKRW-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639798205 356756207 /nfs/dbraw/zinc/75/62/07/356756207.db2.gz ADZMGSAADUBFMN-CYBMUJFWSA-N 1 0 231.343 2.307 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](C[C@@H]2CCc3ncnn32)C1 ZINC000639798930 356760204 /nfs/dbraw/zinc/76/02/04/356760204.db2.gz ROQHGWWFNLROGV-STQMWFEESA-N 1 0 246.358 2.054 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](CC)CCC1CC1 ZINC000355060250 134171423 /nfs/dbraw/zinc/17/14/23/134171423.db2.gz NWJMWEOPEBJFLL-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](CC)CCC1CC1 ZINC000355060252 134171530 /nfs/dbraw/zinc/17/15/30/134171530.db2.gz NWJMWEOPEBJFLL-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO CSC1(C[N@H+](C)C[C@@H](C)C#N)CCC1 ZINC000356093575 134176875 /nfs/dbraw/zinc/17/68/75/134176875.db2.gz VKHGZJVMZWPLIP-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO CCc1cc(NCC2(CC#N)CC2)cc[nH+]1 ZINC000450500755 202186483 /nfs/dbraw/zinc/18/64/83/202186483.db2.gz LZSCYOGOVDQUNK-UHFFFAOYSA-N 1 0 215.300 2.172 20 30 BEEDRO C[C@H]([N@H+](C)CCOCCC#N)C(C)(C)C ZINC000385165565 356912479 /nfs/dbraw/zinc/91/24/79/356912479.db2.gz AQDXLIMXFUWPPA-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000411491576 491105413 /nfs/dbraw/zinc/10/54/13/491105413.db2.gz FBGWKATWMMEMBO-UPJWGTAASA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CC1CCC(=O)CC1)C1CC1 ZINC000450610358 202210336 /nfs/dbraw/zinc/21/03/36/202210336.db2.gz GMWDWAQKTZXDGT-NSHDSACASA-N 1 0 234.343 2.370 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC1 ZINC000389854135 357055181 /nfs/dbraw/zinc/05/51/81/357055181.db2.gz ACPUTJANNWLDRY-NWDGAFQWSA-N 1 0 204.317 2.458 20 30 BEEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1C#N ZINC000093406695 357102207 /nfs/dbraw/zinc/10/22/07/357102207.db2.gz ZLHNKXMGQYQEKX-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000358238180 134187367 /nfs/dbraw/zinc/18/73/67/134187367.db2.gz MIVTZOFJRFMLRG-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)Cc1ccsc1 ZINC000390486691 357095631 /nfs/dbraw/zinc/09/56/31/357095631.db2.gz OXRWCZRKXSWPRH-DGCLKSJQSA-N 1 0 239.384 2.453 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCC1CCOCC1 ZINC000390816105 357117343 /nfs/dbraw/zinc/11/73/43/357117343.db2.gz KXHZRZFDXRPJKD-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCCCC1(F)F ZINC000390978673 357118530 /nfs/dbraw/zinc/11/85/30/357118530.db2.gz UTPFKTWPYYEHBO-VIFPVBQESA-N 1 0 202.248 2.315 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000628405649 357198769 /nfs/dbraw/zinc/19/87/69/357198769.db2.gz QLFKUSVWOKUGFD-GFCCVEGCSA-N 1 0 204.317 2.423 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000628405296 357199368 /nfs/dbraw/zinc/19/93/68/357199368.db2.gz IHXYVIHXTKOXDR-GFCCVEGCSA-N 1 0 204.317 2.423 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000628405970 357200015 /nfs/dbraw/zinc/20/00/15/357200015.db2.gz ZDVPIXCVLHCZSF-LLVKDONJSA-N 1 0 221.300 2.170 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccnn2CC)C1 ZINC000628405917 357200102 /nfs/dbraw/zinc/20/01/02/357200102.db2.gz XJLKOUYEZIZETG-GFCCVEGCSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639890542 357206651 /nfs/dbraw/zinc/20/66/51/357206651.db2.gz SAELGAIHJAKOBB-YNEHKIRRSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639890604 357207505 /nfs/dbraw/zinc/20/75/05/357207505.db2.gz SQXIGSAHABGFAN-LLVKDONJSA-N 1 0 218.300 2.185 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2nc(CC3CC3)no2)C1 ZINC000639891056 357211369 /nfs/dbraw/zinc/21/13/69/357211369.db2.gz WGOPOYATSJFKNJ-LBPRGKRZSA-N 1 0 247.342 2.420 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000359401996 134195049 /nfs/dbraw/zinc/19/50/49/134195049.db2.gz SXUCTNQLPXHMKM-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CCO)C1CCOCC1 ZINC000359401998 134195085 /nfs/dbraw/zinc/19/50/85/134195085.db2.gz SXUCTNQLPXHMKM-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000393783086 357299449 /nfs/dbraw/zinc/29/94/49/357299449.db2.gz WUPMCFCVUVOSGR-GHMZBOCLSA-N 1 0 224.373 2.410 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000393783087 357299462 /nfs/dbraw/zinc/29/94/62/357299462.db2.gz WUPMCFCVUVOSGR-MNOVXSKESA-N 1 0 224.373 2.410 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000393830295 357302268 /nfs/dbraw/zinc/30/22/68/357302268.db2.gz JLUHCYCKNCWNCX-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO N#CCCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000393834349 357302574 /nfs/dbraw/zinc/30/25/74/357302574.db2.gz ZCOKVZMAMKQDFK-UHFFFAOYSA-N 1 0 222.332 2.372 20 30 BEEDRO C#CC[NH2+][C@@H](COC)c1ccc(Cl)cc1 ZINC000193665091 357262077 /nfs/dbraw/zinc/26/20/77/357262077.db2.gz QNHMGPUUPFCVRS-LBPRGKRZSA-N 1 0 223.703 2.250 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000393376681 357308182 /nfs/dbraw/zinc/30/81/82/357308182.db2.gz LTORNDUNFYWGKI-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1cc(CC[NH2+]CCC#N)cc(C)c1O ZINC000582720965 357370633 /nfs/dbraw/zinc/37/06/33/357370633.db2.gz OETJJRIRSPRCGU-UHFFFAOYSA-N 1 0 218.300 2.055 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000360122158 134198614 /nfs/dbraw/zinc/19/86/14/134198614.db2.gz KNVZHZBGQZMDOT-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO CCn1ccnc1C[NH2+]CC(C)(C)CCC#N ZINC000395395959 357437125 /nfs/dbraw/zinc/43/71/25/357437125.db2.gz QVOKLIRLNWRCQN-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO COCC1(C[NH+]2CCC(CC#N)CC2)CCC1 ZINC000397173896 357508315 /nfs/dbraw/zinc/50/83/15/357508315.db2.gz FVWQDLIGOWHSNS-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CO[C@](C)(C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000361007598 134202900 /nfs/dbraw/zinc/20/29/00/134202900.db2.gz ADIWYTPZDAWIEB-FPMFFAJLSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CCC1CC[NH+](CCc2ccncc2)CC1 ZINC000397315304 357512640 /nfs/dbraw/zinc/51/26/40/357512640.db2.gz UARFNCDUQUUSPE-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO C=CCCCCN(C)Cc1noc(C)n1 ZINC000583065633 357471620 /nfs/dbraw/zinc/47/16/20/357471620.db2.gz QGNUBZLBKXFBBR-UHFFFAOYSA-N 1 0 209.293 2.166 20 30 BEEDRO CC(C)CCN(CCC#N)Cc1cnccn1 ZINC000583189811 357514564 /nfs/dbraw/zinc/51/45/64/357514564.db2.gz YDDXERSANCCXLS-UHFFFAOYSA-N 1 0 232.331 2.238 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCOCC(F)(F)F ZINC000063095804 357524405 /nfs/dbraw/zinc/52/44/05/357524405.db2.gz BIPSJQLHKZLUBT-VIFPVBQESA-N 1 0 238.253 2.189 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000232532724 357664261 /nfs/dbraw/zinc/66/42/61/357664261.db2.gz HYKFXKSJUFRNOK-OLZOCXBDSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362447792 134211146 /nfs/dbraw/zinc/21/11/46/134211146.db2.gz DECRWAPVLMIGKW-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362447790 134211253 /nfs/dbraw/zinc/21/12/53/134211253.db2.gz DECRWAPVLMIGKW-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)C1CCCCC1 ZINC000190494686 357709914 /nfs/dbraw/zinc/70/99/14/357709914.db2.gz MBNHIUWCANJRTE-JSGCOSHPSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCCCC#N ZINC000367860320 134216620 /nfs/dbraw/zinc/21/66/20/134216620.db2.gz ZVLUWSQVWUNJNC-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190952978 357734397 /nfs/dbraw/zinc/73/43/97/357734397.db2.gz AHYBJWGTGLQLSN-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@@H]1CCOC ZINC000368259745 134217966 /nfs/dbraw/zinc/21/79/66/134217966.db2.gz FBYYSAZJHBRFTC-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1ccccn1 ZINC000191102182 357751003 /nfs/dbraw/zinc/75/10/03/357751003.db2.gz AFOXFUZLFCMUIJ-LBPRGKRZSA-N 1 0 220.316 2.277 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000639923875 357754212 /nfs/dbraw/zinc/75/42/12/357754212.db2.gz ZWXXVKAZQCSNNB-UHFFFAOYSA-N 1 0 233.359 2.365 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000116862747 134219455 /nfs/dbraw/zinc/21/94/55/134219455.db2.gz DALJUBMIAQQDOU-LBPRGKRZSA-N 1 0 246.354 2.443 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191233410 357759196 /nfs/dbraw/zinc/75/91/96/357759196.db2.gz WWALUBZVNDYRCM-SNVBAGLBSA-N 1 0 205.305 2.127 20 30 BEEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCCC#N ZINC000191472490 357772248 /nfs/dbraw/zinc/77/22/48/357772248.db2.gz VEDGPBLWMGHQRP-OAHLLOKOSA-N 1 0 246.354 2.480 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccccc1N(C)C ZINC000191756166 357794102 /nfs/dbraw/zinc/79/41/02/357794102.db2.gz PXUSMWUOURPTGO-UHFFFAOYSA-N 1 0 248.370 2.387 20 30 BEEDRO C=CCN(CCOC)Cc1scnc1C ZINC000191761042 357794732 /nfs/dbraw/zinc/79/47/32/357794732.db2.gz XWGGASBHPZRFMH-UHFFFAOYSA-N 1 0 226.345 2.086 20 30 BEEDRO C[N@@H+]1CCCC12CCN(CCCCC#N)CC2 ZINC000369382367 134222401 /nfs/dbraw/zinc/22/24/01/134222401.db2.gz ALUCGYXGFONXOF-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000335225058 535367793 /nfs/dbraw/zinc/36/77/93/535367793.db2.gz PFMPTNGGNWFNHH-BPCQOVAHSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000234296169 357781271 /nfs/dbraw/zinc/78/12/71/357781271.db2.gz SQXPKMCJTHMTCT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@@H+]([C@H](C)C(=O)OC)C1CCC1 ZINC000192385720 357830915 /nfs/dbraw/zinc/83/09/15/357830915.db2.gz PIRDLDNQQUUPQI-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000234825415 357832912 /nfs/dbraw/zinc/83/29/12/357832912.db2.gz MJMTZCVHLXPPNE-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C#N)C1(C)C ZINC000234838542 357837704 /nfs/dbraw/zinc/83/77/04/357837704.db2.gz ZLPPUYPAYCPUHC-GHMZBOCLSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193337321 357877746 /nfs/dbraw/zinc/87/77/46/357877746.db2.gz ZBLVIMKSLQRQOD-WHOHXGKFSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CCCCCC[NH2+]Cc1csnn1 ZINC000398271272 357881970 /nfs/dbraw/zinc/88/19/70/357881970.db2.gz QGIIJXNEQAEEGY-UHFFFAOYSA-N 1 0 211.334 2.374 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000235642037 357926155 /nfs/dbraw/zinc/92/61/55/357926155.db2.gz DEEVXHWKFXDLBC-YPMHNXCESA-N 1 0 224.348 2.473 20 30 BEEDRO CCOC1CC([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399134984 357896521 /nfs/dbraw/zinc/89/65/21/357896521.db2.gz QFCBELCEHNSUER-UHFFFAOYSA-N 1 0 244.338 2.410 20 30 BEEDRO N#CCc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000399190444 357897775 /nfs/dbraw/zinc/89/77/75/357897775.db2.gz PNEMWXUICNIABE-UHFFFAOYSA-N 1 0 242.322 2.189 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@H](C)O1 ZINC000399161146 357897839 /nfs/dbraw/zinc/89/78/39/357897839.db2.gz CNUWZHCQYDOFDL-TYNCELHUSA-N 1 0 244.338 2.408 20 30 BEEDRO Cc1cnn(CC[NH+]2CCC(CCC#N)CC2)c1 ZINC000399286907 357901359 /nfs/dbraw/zinc/90/13/59/357901359.db2.gz NALCWQIAAIBGMP-UHFFFAOYSA-N 1 0 246.358 2.207 20 30 BEEDRO CC(C)[C@@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399376443 357905712 /nfs/dbraw/zinc/90/57/12/357905712.db2.gz XVXDYCPZCKOHED-ZDUSSCGKSA-N 1 0 224.348 2.019 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1ncccc1C#N ZINC000291099961 168775322 /nfs/dbraw/zinc/77/53/22/168775322.db2.gz KKQZRNNIJBROAY-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374158302 134236035 /nfs/dbraw/zinc/23/60/35/134236035.db2.gz CDWKDLSZPFABRS-BYNSBNAKSA-N 1 0 235.371 2.271 20 30 BEEDRO C=CC[N@H+]1CC[C@H](OCc2c(C)noc2C)C1 ZINC000375158950 134238951 /nfs/dbraw/zinc/23/89/51/134238951.db2.gz KTLIHROVLRJYPC-LBPRGKRZSA-N 1 0 236.315 2.068 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000305089515 134239606 /nfs/dbraw/zinc/23/96/06/134239606.db2.gz OZOPKBIDVHMLSO-QWHCGFSZSA-N 1 0 243.416 2.387 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000610605145 358011358 /nfs/dbraw/zinc/01/13/58/358011358.db2.gz NAAKGYQWTPRAOX-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1(CC#N)CC1 ZINC000584506592 358014662 /nfs/dbraw/zinc/01/46/62/358014662.db2.gz WNLGNACQMSJHFY-LBPRGKRZSA-N 1 0 244.342 2.081 20 30 BEEDRO N#CCSCCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000378322482 134245831 /nfs/dbraw/zinc/24/58/31/134245831.db2.gz WJVJSVDHXTXRKE-GFCCVEGCSA-N 1 0 224.373 2.365 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376454740 134242255 /nfs/dbraw/zinc/24/22/55/134242255.db2.gz MURIVOKMPBYOQQ-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCN1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982785 358026580 /nfs/dbraw/zinc/02/65/80/358026580.db2.gz IIECVSUHWKYQTR-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000639994519 358033890 /nfs/dbraw/zinc/03/38/90/358033890.db2.gz BCRMUNVUOAUCED-MWLCHTKSSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CCCCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000584571154 358070549 /nfs/dbraw/zinc/07/05/49/358070549.db2.gz XZVQQWBISVSSIQ-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000051896556 358092424 /nfs/dbraw/zinc/09/24/24/358092424.db2.gz XTQYFXNNWNCTRQ-ZDUSSCGKSA-N 1 0 244.338 2.153 20 30 BEEDRO C=C(C)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170695349 134252890 /nfs/dbraw/zinc/25/28/90/134252890.db2.gz YTKOKOQOSCFQSM-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO CC[C@H](C[NH+]1CCCC1)Nc1cccc(C#N)n1 ZINC000610715992 358098272 /nfs/dbraw/zinc/09/82/72/358098272.db2.gz XYVDTBQCRKAZJV-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO Cc1noc(C2CC[NH+](CCCCC#N)CC2)n1 ZINC000171033794 134256678 /nfs/dbraw/zinc/25/66/78/134256678.db2.gz QKUBDIOFJYSKDL-UHFFFAOYSA-N 1 0 248.330 2.251 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(C)nn1C ZINC000417799816 491122506 /nfs/dbraw/zinc/12/25/06/491122506.db2.gz XOYLHCCCZMGFCZ-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C[N@H+](CC1CCC(=O)CC1)[C@H]1CCC[C@H]1C#N ZINC000640029151 358121114 /nfs/dbraw/zinc/12/11/14/358121114.db2.gz BRHCNWSKGSKBAF-JSGCOSHPSA-N 1 0 234.343 2.370 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(C#N)c1 ZINC000610740567 358133823 /nfs/dbraw/zinc/13/38/23/358133823.db2.gz ICAKNASWLVYAFK-IUODEOHRSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1cccc(C#N)c1 ZINC000610740568 358134048 /nfs/dbraw/zinc/13/40/48/358134048.db2.gz ICAKNASWLVYAFK-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000583880266 358114361 /nfs/dbraw/zinc/11/43/61/358114361.db2.gz RZRIVJJZMWMIEZ-UHFFFAOYSA-N 1 0 242.322 2.156 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC000052071374 358145047 /nfs/dbraw/zinc/14/50/47/358145047.db2.gz LITKDHUGYYFLTO-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(CC#N)CC1 ZINC000610813478 358189906 /nfs/dbraw/zinc/18/99/06/358189906.db2.gz IIUCDBBHLVDBBQ-CYBMUJFWSA-N 1 0 235.375 2.309 20 30 BEEDRO C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813394 358189829 /nfs/dbraw/zinc/18/98/29/358189829.db2.gz FOAGRKHTTBHJSN-TZMCWYRMSA-N 1 0 235.375 2.143 20 30 BEEDRO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)nc(C2CC2)n1 ZINC000584835611 358197251 /nfs/dbraw/zinc/19/72/51/358197251.db2.gz TWDAEQHIYLXNDY-CMPLNLGQSA-N 1 0 242.326 2.189 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cccc(F)c1C#N ZINC000351509258 358211963 /nfs/dbraw/zinc/21/19/63/358211963.db2.gz KRSYFHRFSJQFLM-QWRGUYRKSA-N 1 0 247.317 2.226 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)C(C)C)CC1 ZINC000171976367 134263832 /nfs/dbraw/zinc/26/38/32/134263832.db2.gz VKABGBXZZUZUMD-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676061 358245290 /nfs/dbraw/zinc/24/52/90/358245290.db2.gz XKLYOQVLYQFWKB-GFCCVEGCSA-N 1 0 247.298 2.419 20 30 BEEDRO C=C(C)CCNc1cc(NCC2CC2)ncn1 ZINC000450718077 202244013 /nfs/dbraw/zinc/24/40/13/202244013.db2.gz SEQATVNHCGQQJZ-UHFFFAOYSA-N 1 0 232.331 2.099 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450765388 202258213 /nfs/dbraw/zinc/25/82/13/202258213.db2.gz RFTCBVDKJLWATI-JSGCOSHPSA-N 1 0 219.328 2.269 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1csc(C)n1 ZINC000226387824 358338040 /nfs/dbraw/zinc/33/80/40/358338040.db2.gz GNYLTZZLZVADDO-SNVBAGLBSA-N 1 0 223.345 2.276 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](CC)c1ccccc1 ZINC000264080822 535423287 /nfs/dbraw/zinc/42/32/87/535423287.db2.gz IMCLFJAIJPTLPQ-NSHDSACASA-N 1 0 219.332 2.104 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](c1ccccc1)C(C)C ZINC000264076458 535422942 /nfs/dbraw/zinc/42/29/42/535422942.db2.gz FXGRVQXEPIGSHN-ZDUSSCGKSA-N 1 0 233.359 2.350 20 30 BEEDRO CCNC(=[NH2+])NCc1ccc(C(F)F)cc1 ZINC000274101249 535424695 /nfs/dbraw/zinc/42/46/95/535424695.db2.gz SSAZMUPWZLZPBT-UHFFFAOYSA-N 1 0 227.258 2.048 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000215678591 358449571 /nfs/dbraw/zinc/44/95/71/358449571.db2.gz GRTOVXJMEASOLM-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO COc1ccc(C[N@H+](C)CCCC#N)cc1 ZINC000042224090 358519630 /nfs/dbraw/zinc/51/96/30/358519630.db2.gz YPAGIPLGOPIWTK-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)Cc1ccnc(C#N)c1 ZINC000610993823 358422349 /nfs/dbraw/zinc/42/23/49/358422349.db2.gz CJBOESDUNVZBAY-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccnc(C#N)c1 ZINC000610994083 358422684 /nfs/dbraw/zinc/42/26/84/358422684.db2.gz LMSIJCMFRAWMCS-QWRGUYRKSA-N 1 0 215.300 2.326 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000125543944 358541042 /nfs/dbraw/zinc/54/10/42/358541042.db2.gz BCIIVDCHODAMQU-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO CC[C@@H]1C[N@H+](CC(C)(C)CCC#N)CCO1 ZINC000125621463 358543297 /nfs/dbraw/zinc/54/32/97/358543297.db2.gz AMQHOFWGRBNFPM-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CCC(O)(CC)C[NH2+]CC(C)(C)CCC#N ZINC000126736125 358554586 /nfs/dbraw/zinc/55/45/86/358554586.db2.gz CHBPIJPHPOFKCH-UHFFFAOYSA-N 1 0 226.364 2.457 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC(=O)NC(C)(C)C ZINC000126871017 358557404 /nfs/dbraw/zinc/55/74/04/358557404.db2.gz JRNFFNBAYKHMSP-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000124994670 358530869 /nfs/dbraw/zinc/53/08/69/358530869.db2.gz LGAYLQSJNVMHDC-UHFFFAOYSA-N 1 0 219.332 2.425 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000130482386 358627681 /nfs/dbraw/zinc/62/76/81/358627681.db2.gz LSAGEIKAXLTGFD-LLVKDONJSA-N 1 0 205.301 2.497 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000052034741 358771427 /nfs/dbraw/zinc/77/14/27/358771427.db2.gz LFVLORXRYTWZBH-CQSZACIVSA-N 1 0 217.287 2.466 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000132315631 358717971 /nfs/dbraw/zinc/71/79/71/358717971.db2.gz XYLDATAAHJICAC-UHFFFAOYSA-N 1 0 232.327 2.090 20 30 BEEDRO C=CCC[NH+]1CCN(c2cccc(OC)c2)CC1 ZINC000132339991 358719720 /nfs/dbraw/zinc/71/97/20/358719720.db2.gz RRQHXJKHTOXYLC-UHFFFAOYSA-N 1 0 246.354 2.393 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1CC[NH+](C)CC1 ZINC000135003122 358815529 /nfs/dbraw/zinc/81/55/29/358815529.db2.gz OETPRIWJOOSLFY-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO CCC(CC)[C@@H]1C[C@H]([NH2+]CCC#N)CCO1 ZINC000578232845 366462904 /nfs/dbraw/zinc/46/29/04/366462904.db2.gz KXEDYBDIZNUFSE-OLZOCXBDSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1ccc(OCCN(C)CCC#N)cc1 ZINC000052816421 358797217 /nfs/dbraw/zinc/79/72/17/358797217.db2.gz NJOPQJPOZCLJFQ-UHFFFAOYSA-N 1 0 218.300 2.219 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1ccc2c(c1)OCCO2 ZINC000176485528 134291912 /nfs/dbraw/zinc/29/19/12/134291912.db2.gz CQJFJLKGNOOCOT-NSHDSACASA-N 1 0 246.310 2.412 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000134791806 358805883 /nfs/dbraw/zinc/80/58/83/358805883.db2.gz WSDJVKILBWLIGB-UHFFFAOYSA-N 1 0 248.717 2.314 20 30 BEEDRO N#CCCCC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000136182886 358866309 /nfs/dbraw/zinc/86/63/09/358866309.db2.gz GGRIFBAWZARPLE-HNNXBMFYSA-N 1 0 244.338 2.104 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1CSC ZINC000135445263 358838905 /nfs/dbraw/zinc/83/89/05/358838905.db2.gz QPGKVSHPHCASMX-VXGBXAGGSA-N 1 0 229.389 2.141 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(CCCCC#N)CC1 ZINC000055066601 358881524 /nfs/dbraw/zinc/88/15/24/358881524.db2.gz LXWVEVSZXDIOER-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000640218975 358883924 /nfs/dbraw/zinc/88/39/24/358883924.db2.gz BUSJJJVGXIXKQQ-NEPJUHHUSA-N 1 0 217.316 2.110 20 30 BEEDRO CC(C)(C#N)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000161984087 358964993 /nfs/dbraw/zinc/96/49/93/358964993.db2.gz DTSPXXCVTQTRJG-TZMCWYRMSA-N 1 0 247.386 2.237 20 30 BEEDRO N#CCCN1CC[NH+](CCC2CCCC2)CC1 ZINC000611175978 358935319 /nfs/dbraw/zinc/93/53/19/358935319.db2.gz QYMYRAKSQONSCZ-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC#N)C1 ZINC000072965752 359094460 /nfs/dbraw/zinc/09/44/60/359094460.db2.gz VBYMUMHICDMECZ-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO N#CCCCN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075834454 359225167 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C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@](C)(C#N)C2)CCO1 ZINC000612406782 359833805 /nfs/dbraw/zinc/83/38/05/359833805.db2.gz SYLFMLZHQOJXFG-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000451096605 202351595 /nfs/dbraw/zinc/35/15/95/202351595.db2.gz XIRKSHAOXFIEHS-ZDUSSCGKSA-N 1 0 222.376 2.369 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@@H](C)C1 ZINC000612410083 359836753 /nfs/dbraw/zinc/83/67/53/359836753.db2.gz ZXQXDQJOSKVSGC-VNHYZAJKSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@H](C)C1 ZINC000612410082 359836787 /nfs/dbraw/zinc/83/67/87/359836787.db2.gz ZXQXDQJOSKVSGC-UMVBOHGHSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@](C)(F)C1 ZINC000451117815 202357446 /nfs/dbraw/zinc/35/74/46/202357446.db2.gz WGNIJFQZSMIJKU-LBPRGKRZSA-N 1 0 215.312 2.403 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245923401 325533879 /nfs/dbraw/zinc/53/38/79/325533879.db2.gz RCBZQLCILPZQFF-CLLJXQQHSA-N 1 0 227.348 2.125 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000249043945 359858479 /nfs/dbraw/zinc/85/84/79/359858479.db2.gz VLIBEUFMIIKGBJ-UPJWGTAASA-N 1 0 248.326 2.375 20 30 BEEDRO CC(C)(C#N)CNC1CC[NH+](C(C)(C)C)CC1 ZINC000612588063 359900063 /nfs/dbraw/zinc/90/00/63/359900063.db2.gz OWUYZOBJBJQJBT-UHFFFAOYSA-N 1 0 237.391 2.389 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000309152434 491145629 /nfs/dbraw/zinc/14/56/29/491145629.db2.gz WPWVMKKYMDSLCO-AVGNSLFASA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCOCC[NH2+]C/C=C\c1ccccc1 ZINC000309142058 491145525 /nfs/dbraw/zinc/14/55/25/491145525.db2.gz YDZZQLKUBFJCMO-TWGQIWQCSA-N 1 0 217.312 2.492 20 30 BEEDRO CCOC(=O)CC[N@H+](C)CCCC(C)(C)C#N ZINC000087607112 359919499 /nfs/dbraw/zinc/91/94/99/359919499.db2.gz MXHUOWNBRGEWNX-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000087595253 359919906 /nfs/dbraw/zinc/91/99/06/359919906.db2.gz BNUGNWAQWZCELR-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)CCCO1 ZINC000087608701 359920787 /nfs/dbraw/zinc/92/07/87/359920787.db2.gz FQCMBCBCBJFJGY-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000578715149 366629664 /nfs/dbraw/zinc/62/96/64/366629664.db2.gz OCMPPUIASSHZDN-QWHCGFSZSA-N 1 0 209.333 2.500 20 30 BEEDRO COc1cccc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000088249641 359942106 /nfs/dbraw/zinc/94/21/06/359942106.db2.gz BQPZIIYRUYIAGL-UHFFFAOYSA-N 1 0 230.311 2.479 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc3c2OCO3)CC1 ZINC000088249701 359942613 /nfs/dbraw/zinc/94/26/13/359942613.db2.gz SMYUKOKALHHPQX-UHFFFAOYSA-N 1 0 244.294 2.199 20 30 BEEDRO C=CCCCC[N@H+]1CCN(C)C[C@H]1CC ZINC000578760957 366640885 /nfs/dbraw/zinc/64/08/85/366640885.db2.gz XQWCBCNEVXSYHB-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952312 360050048 /nfs/dbraw/zinc/05/00/48/360050048.db2.gz RQTZTWASIBYZLM-VXGBXAGGSA-N 1 0 227.373 2.159 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000612745187 360045008 /nfs/dbraw/zinc/04/50/08/360045008.db2.gz CBZLBEMCDWBMAK-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1cscn1 ZINC000451684571 202460738 /nfs/dbraw/zinc/46/07/38/202460738.db2.gz VSFOOGOSOMQCQW-NEPJUHHUSA-N 1 0 238.356 2.009 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091080746 360101332 /nfs/dbraw/zinc/10/13/32/360101332.db2.gz FZBTVGQSOVJDIA-NSHDSACASA-N 1 0 205.305 2.349 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000309309555 491147344 /nfs/dbraw/zinc/14/73/44/491147344.db2.gz BOMGHMONWXCQIJ-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C(Br)CN1[C@H](C)C[C@@H]1C ZINC000306475002 360113627 /nfs/dbraw/zinc/11/36/27/360113627.db2.gz PSLQPUOPEJRBSM-OCAPTIKFSA-N 1 0 204.111 2.378 20 30 BEEDRO COC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N ZINC000612879945 360151906 /nfs/dbraw/zinc/15/19/06/360151906.db2.gz YOVKAMMOZPKYRX-AWEZNQCLSA-N 1 0 246.354 2.383 20 30 BEEDRO COCCC[N@H+](C)CC(C)(C)CCC#N ZINC000092537522 360177480 /nfs/dbraw/zinc/17/74/80/360177480.db2.gz NXALVKLZBNFLHM-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cccc(F)c1C#N ZINC000130422241 360299986 /nfs/dbraw/zinc/29/99/86/360299986.db2.gz GHQXCMNRXYOZKJ-SECBINFHSA-N 1 0 221.279 2.059 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000094680086 360315287 /nfs/dbraw/zinc/31/52/87/360315287.db2.gz JTKYESIHCJCORW-UHFFFAOYSA-N 1 0 216.284 2.128 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](C)CCO ZINC000097439442 360371528 /nfs/dbraw/zinc/37/15/28/360371528.db2.gz IZYJOSTWCYNURO-ZDUSSCGKSA-N 1 0 249.354 2.360 20 30 BEEDRO CO[C@H]1C[N@H+](CC2(CC#N)CC2)CC[C@@H]1C ZINC000230249475 360478845 /nfs/dbraw/zinc/47/88/45/360478845.db2.gz UKUXMRSNVFJZMQ-RYUDHWBXSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+](CC)C[C@@H](C)CC ZINC000300772948 360486486 /nfs/dbraw/zinc/48/64/86/360486486.db2.gz BRILZSPKUZCSNB-QWRGUYRKSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)[C@H](C)[C@@H](C)O ZINC001641653615 1172281122 /nfs/dbraw/zinc/28/11/22/1172281122.db2.gz RVMFZEZIKSWCSU-ZIAGYGMSSA-N 1 0 233.355 2.486 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000631198148 360738970 /nfs/dbraw/zinc/73/89/70/360738970.db2.gz ABQHYEFMLXAPBK-OKILXGFUSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628965712 360775657 /nfs/dbraw/zinc/77/56/57/360775657.db2.gz CHYJRJBCCFBIKP-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000449702333 200698655 /nfs/dbraw/zinc/69/86/55/200698655.db2.gz YWZCZEKYDDWZRC-PNESKVBLSA-N 1 0 241.375 2.249 20 30 BEEDRO CC[N@@H+](Cc1cc(C#N)ccn1)CC1CC1 ZINC001641742569 1172289512 /nfs/dbraw/zinc/28/95/12/1172289512.db2.gz BQEUIMJIJJZGSV-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000164646314 200797562 /nfs/dbraw/zinc/79/75/62/200797562.db2.gz KZKRAUYEVLYLRH-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCCCN2C1=O ZINC000453420751 200793894 /nfs/dbraw/zinc/79/38/94/200793894.db2.gz DLGMUPZJWBIPHO-XQQFMLRXSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC1CC[NH+](CC23CC(C)(C2)OC3)CC1 ZINC001641781904 1172293018 /nfs/dbraw/zinc/29/30/18/1172293018.db2.gz SDZKUYXMDPLMDU-UHFFFAOYSA-N 1 0 221.344 2.454 20 30 BEEDRO CC(C)n1nccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424195113 200885821 /nfs/dbraw/zinc/88/58/21/200885821.db2.gz CMXPYIGKBUGIFN-NWDGAFQWSA-N 1 0 232.331 2.246 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000424299575 200902897 /nfs/dbraw/zinc/90/28/97/200902897.db2.gz VPWLERZHQOMEJN-XUXIUFHCSA-N 1 0 234.343 2.249 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CCCC ZINC000424651206 200946811 /nfs/dbraw/zinc/94/68/11/200946811.db2.gz CYDRHPNEFISMCS-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO N#CCCCC[N@H+]1CCC(=O)CC12CCC2 ZINC000579001610 366690702 /nfs/dbraw/zinc/69/07/02/366690702.db2.gz JVZYLSQTOGLLQG-UHFFFAOYSA-N 1 0 220.316 2.268 20 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BEEDRO C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccc(C#N)s1 ZINC000170074664 361387774 /nfs/dbraw/zinc/38/77/74/361387774.db2.gz YPDLAOYYOSIYPP-OUAUKWLOSA-N 1 0 248.351 2.207 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000379740915 361389842 /nfs/dbraw/zinc/38/98/42/361389842.db2.gz LRXKXGTZLGHHDJ-GFCCVEGCSA-N 1 0 231.343 2.276 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1(CO)CCC1 ZINC000429233670 201081044 /nfs/dbraw/zinc/08/10/44/201081044.db2.gz NMILGLHAQVUDLP-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429408330 201106729 /nfs/dbraw/zinc/10/67/29/201106729.db2.gz LCXVBADOBYASRR-QWHCGFSZSA-N 1 0 241.375 2.108 20 30 BEEDRO CS[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249046012 325634227 /nfs/dbraw/zinc/63/42/27/325634227.db2.gz WAOPLCUTHPXQNB-MXWKQRLJSA-N 1 0 212.362 2.410 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000249047079 325634329 /nfs/dbraw/zinc/63/43/29/325634329.db2.gz WLWKYJPJGAOKLY-ZOBORPQBSA-N 1 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RKXHTYXHBIPXNU-ZFWWWQNUSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000429854767 201133507 /nfs/dbraw/zinc/13/35/07/201133507.db2.gz RELCPWRXPXGBTF-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO CCn1nc(C)c(C[NH2+]CC2(CC#N)CC2)c1C ZINC000430046483 201140954 /nfs/dbraw/zinc/14/09/54/201140954.db2.gz OCWXEUFHDBLJTF-UHFFFAOYSA-N 1 0 246.358 2.303 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000430064332 201141242 /nfs/dbraw/zinc/14/12/42/201141242.db2.gz ZOFQWACEBIMMLW-UHFFFAOYSA-N 1 0 243.285 2.481 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)CCOC(C)C ZINC000629587180 361475954 /nfs/dbraw/zinc/47/59/54/361475954.db2.gz GDRXZTVCLFCVPY-ZDUSSCGKSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430258218 201155312 /nfs/dbraw/zinc/15/53/12/201155312.db2.gz OLVGUSQJAKNQLS-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430258221 201156774 /nfs/dbraw/zinc/15/67/74/201156774.db2.gz 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C=CCCC[NH2+][C@@H](CO)c1ccccc1OC ZINC000541981238 364057143 /nfs/dbraw/zinc/05/71/43/364057143.db2.gz OBHVMYQAUFIVKY-ZDUSSCGKSA-N 1 0 235.327 2.284 20 30 BEEDRO CC#CC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000190962035 219928764 /nfs/dbraw/zinc/92/87/64/219928764.db2.gz RQKWSOGSOWWFQN-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C=C(Cl)CN[C@@H](C)c1cnn(C)c1C ZINC000134586658 364407173 /nfs/dbraw/zinc/40/71/73/364407173.db2.gz OTKCHEWFYYRMMM-QMMMGPOBSA-N 1 0 213.712 2.132 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CCn1cccn1 ZINC000134637143 364408247 /nfs/dbraw/zinc/40/82/47/364408247.db2.gz YHIFEMTXKFDCEF-SNVBAGLBSA-N 1 0 213.712 2.004 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@@H](CO)SC ZINC000134923538 364419392 /nfs/dbraw/zinc/41/93/92/364419392.db2.gz ZCOLKLPTABTZIM-GARJFASQSA-N 1 0 217.378 2.043 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000134924401 364420224 /nfs/dbraw/zinc/42/02/24/364420224.db2.gz CTBWYURPIXEPJV-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182022120 366860264 /nfs/dbraw/zinc/86/02/64/366860264.db2.gz CJEFMLIGCULJDX-LLVKDONJSA-N 1 0 228.299 2.104 20 30 BEEDRO CC[N@H+](CC[C@@H]1CCCO1)C[C@H](C)C#N ZINC000246751030 364608982 /nfs/dbraw/zinc/60/89/82/364608982.db2.gz FVRUXFDCQFIYPD-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615305900 364683396 /nfs/dbraw/zinc/68/33/96/364683396.db2.gz YHRYKXUUOKLMBK-SGMGOOAPSA-N 1 0 238.375 2.140 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000290203274 364695485 /nfs/dbraw/zinc/69/54/85/364695485.db2.gz DENRRUCCEYIOKD-ZDUSSCGKSA-N 1 0 217.337 2.263 20 30 BEEDRO C[N@@H+]1CCN([C@H](C#N)c2ccccc2)CC1(C)C ZINC000595469326 541379767 /nfs/dbraw/zinc/37/97/67/541379767.db2.gz FPPDUIKPKLVXBJ-CQSZACIVSA-N 1 0 243.354 2.277 20 30 BEEDRO C=C[C@@H](CC(=O)NC[C@H](C)C[NH3+])c1ccccc1 ZINC000573327401 364800394 /nfs/dbraw/zinc/80/03/94/364800394.db2.gz IXYCFEMBDXMKEN-OLZOCXBDSA-N 1 0 246.354 2.057 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000289630092 364768511 /nfs/dbraw/zinc/76/85/11/364768511.db2.gz FCQFDOZMCIFHGO-WCBMZHEXSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000289630088 364768735 /nfs/dbraw/zinc/76/87/35/364768735.db2.gz FCQFDOZMCIFHGO-PSASIEDQSA-N 1 0 227.254 2.162 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000580514726 364778256 /nfs/dbraw/zinc/77/82/56/364778256.db2.gz AOMZXIPDIDJZGL-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO CC[NH2+]CCCN[C@H](C)c1ccc(C#N)cc1F ZINC000573474098 364843203 /nfs/dbraw/zinc/84/32/03/364843203.db2.gz HLYYJANZJQLDCV-LLVKDONJSA-N 1 0 249.333 2.348 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000573862821 364934960 /nfs/dbraw/zinc/93/49/60/364934960.db2.gz CJVVYVPGVROFGS-LLVKDONJSA-N 1 0 207.321 2.471 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000573862823 364935213 /nfs/dbraw/zinc/93/52/13/364935213.db2.gz CJVVYVPGVROFGS-NSHDSACASA-N 1 0 207.321 2.471 20 30 BEEDRO CC[C@H](C)[NH2+][C@H](CNCCC#N)c1ccco1 ZINC000573913666 364944112 /nfs/dbraw/zinc/94/41/12/364944112.db2.gz JFPUOVDTWXJADT-NWDGAFQWSA-N 1 0 235.331 2.212 20 30 BEEDRO CC[C@@H](C)[NH2+][C@@H](CNCCC#N)c1ccco1 ZINC000573913663 364944369 /nfs/dbraw/zinc/94/43/69/364944369.db2.gz JFPUOVDTWXJADT-NEPJUHHUSA-N 1 0 235.331 2.212 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1(C)C ZINC000574129815 364992587 /nfs/dbraw/zinc/99/25/87/364992587.db2.gz GLQOEWJDGBDBKQ-SGMGOOAPSA-N 1 0 249.358 2.223 20 30 BEEDRO N#CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000574446329 365063254 /nfs/dbraw/zinc/06/32/54/365063254.db2.gz YYUCQYZPULVKNG-UHFFFAOYSA-N 1 0 249.289 2.048 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](C[NH3+])C(C)C ZINC000433136682 192985542 /nfs/dbraw/zinc/98/55/42/192985542.db2.gz QVPNGHITLVAAGS-CYBMUJFWSA-N 1 0 240.391 2.422 20 30 BEEDRO C=CCOCC[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000574545292 365087582 /nfs/dbraw/zinc/08/75/82/365087582.db2.gz UOKDAGHHQQIVQM-UHFFFAOYSA-N 1 0 249.358 2.100 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000442793917 192991297 /nfs/dbraw/zinc/99/12/97/192991297.db2.gz QYXQSCYUFUXZOG-AAEUAGOBSA-N 1 0 230.311 2.217 20 30 BEEDRO CCOCCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442818587 192994962 /nfs/dbraw/zinc/99/49/62/192994962.db2.gz OGAAICIKHURCBY-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO N#Cc1cnc(C[NH2+][C@@H]2CC3CCC2CC3)nc1 ZINC000574667830 365117459 /nfs/dbraw/zinc/11/74/59/365117459.db2.gz YXXYVMVSFBNCHM-KGPNIALWSA-N 1 0 242.326 2.017 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000574686293 365120101 /nfs/dbraw/zinc/12/01/01/365120101.db2.gz OFZASHPVAWPWMC-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443335973 193018108 /nfs/dbraw/zinc/01/81/08/193018108.db2.gz QLKXIHHRCZTELV-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](C)CCCO ZINC000442955754 193006882 /nfs/dbraw/zinc/00/68/82/193006882.db2.gz MLZWQODLLIFCMY-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)C12CCC2 ZINC000443065855 193012838 /nfs/dbraw/zinc/01/28/38/193012838.db2.gz GMOHKHWMTWJUHQ-RYUDHWBXSA-N 1 0 234.343 2.227 20 30 BEEDRO Cc1cc(C[NH2+]CCN2CCCC2)ccc1C#N ZINC000443965384 193032282 /nfs/dbraw/zinc/03/22/82/193032282.db2.gz RQIFRWYQBIDHFW-UHFFFAOYSA-N 1 0 243.354 2.052 20 30 BEEDRO COCC1(C[NH2+]CCC#N)CCCCC1 ZINC000575175718 365228006 /nfs/dbraw/zinc/22/80/06/365228006.db2.gz MDUSMFWTULGXAF-UHFFFAOYSA-N 1 0 210.321 2.087 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000171956840 365262600 /nfs/dbraw/zinc/26/26/00/365262600.db2.gz CNJDYTLDQRWGRU-LLVKDONJSA-N 1 0 242.363 2.408 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C)no2)CC1 ZINC000171953876 365263158 /nfs/dbraw/zinc/26/31/58/365263158.db2.gz SXPCOGHMUSKZAK-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000580517029 365270651 /nfs/dbraw/zinc/27/06/51/365270651.db2.gz JUWQXXZGTOZBSP-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2ccccc2o1 ZINC000336669394 365346407 /nfs/dbraw/zinc/34/64/07/365346407.db2.gz HBILQVJDPNKMIH-LLVKDONJSA-N 1 0 217.268 2.069 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CC1)C1CCSCC1 ZINC000379877530 365334817 /nfs/dbraw/zinc/33/48/17/365334817.db2.gz AXKFIMOIIKEIKY-JTQLQIEISA-N 1 0 224.373 2.411 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000379876380 365335462 /nfs/dbraw/zinc/33/54/62/365335462.db2.gz AJEIBIJONZTOAY-UPJWGTAASA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)[C@H]1C[N@H+](CCCC#N)CCCO1 ZINC000339824864 365474312 /nfs/dbraw/zinc/47/43/12/365474312.db2.gz YLWNCMMPBGEGJO-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ccnc(C)c1NC(=O)NCC1(C#N)CC1 ZINC000579628733 366916984 /nfs/dbraw/zinc/91/69/84/366916984.db2.gz YDWYKJFFQMIBRH-UHFFFAOYSA-N 1 0 244.298 2.124 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000352476628 541481815 /nfs/dbraw/zinc/48/18/15/541481815.db2.gz VOOSQGIDWIKOIK-GXTWGEPZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000579859159 367055613 /nfs/dbraw/zinc/05/56/13/367055613.db2.gz JHFFSWNSJLNFJC-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367597900 367087299 /nfs/dbraw/zinc/08/72/99/367087299.db2.gz CMERZMYDXGVDLQ-KOLCDFICSA-N 1 0 205.305 2.341 20 30 BEEDRO COc1ccc(OCCC[NH2+][C@@H](C)CC#N)cc1 ZINC000068613460 370820861 /nfs/dbraw/zinc/82/08/61/370820861.db2.gz PXBYDMCCBYCPGF-LBPRGKRZSA-N 1 0 248.326 2.356 20 30 BEEDRO N#CCC[NH2+]CCCCOc1ccc(F)cc1 ZINC000580889364 367197823 /nfs/dbraw/zinc/19/78/23/367197823.db2.gz ZDDQQZNTDVXVSQ-UHFFFAOYSA-N 1 0 236.290 2.488 20 30 BEEDRO N#CC1CCC([NH2+]CCc2ccccn2)CC1 ZINC000258917838 370859661 /nfs/dbraw/zinc/85/96/61/370859661.db2.gz XZBRMJBDMDHMBN-UHFFFAOYSA-N 1 0 229.327 2.296 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccnc(C#N)c2)C1 ZINC000068765527 370844536 /nfs/dbraw/zinc/84/45/36/370844536.db2.gz GQADWJBPFTXOQH-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C[NH+](C)CCNc1cc(C#N)c2ccccc2n1 ZINC000068769760 370845818 /nfs/dbraw/zinc/84/58/18/370845818.db2.gz LLSIQPIHPJNBBL-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000580948046 367212890 /nfs/dbraw/zinc/21/28/90/367212890.db2.gz XRHGHPZWRNKJNK-AWEZNQCLSA-N 1 0 246.354 2.119 20 30 BEEDRO COC1(C[C@@H](C)[NH2+]CC2(C#N)CC2)CCC1 ZINC000381324643 367381375 /nfs/dbraw/zinc/38/13/75/367381375.db2.gz QHUFQCNRVJUGJQ-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000581368112 367399300 /nfs/dbraw/zinc/39/93/00/367399300.db2.gz LKTVCEYSZHUMPH-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382013039 367478332 /nfs/dbraw/zinc/47/83/32/367478332.db2.gz NFOVZUWWCQZELT-SRVKXCTJSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000581497541 367526607 /nfs/dbraw/zinc/52/66/07/367526607.db2.gz ZEGFVCYPJOTVBR-AWEZNQCLSA-N 1 0 246.354 2.382 20 30 BEEDRO C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C(C)(C)O ZINC000382799138 367557914 /nfs/dbraw/zinc/55/79/14/367557914.db2.gz JPYJQCOYKDFQDW-LLVKDONJSA-N 1 0 226.364 2.408 20 30 BEEDRO COCC(C)(C)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382255994 367501469 /nfs/dbraw/zinc/50/14/69/367501469.db2.gz WCOSDZMGHPKAFO-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000382329292 367508044 /nfs/dbraw/zinc/50/80/44/367508044.db2.gz WAOKPQMBNQUREK-UMSGYPCISA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC2(CCC2)O1 ZINC000581486904 367517636 /nfs/dbraw/zinc/51/76/36/367517636.db2.gz IQNXODAKOLQOKB-FRRDWIJNSA-N 1 0 234.343 2.322 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000565998493 325982498 /nfs/dbraw/zinc/98/24/98/325982498.db2.gz QELNYVOPEOYMAY-LBPRGKRZSA-N 1 0 237.347 2.317 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)COCC(C)C ZINC000384075498 367671235 /nfs/dbraw/zinc/67/12/35/367671235.db2.gz WHECIYFVLXRBCV-CYBMUJFWSA-N 1 0 243.391 2.212 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000615438883 367697362 /nfs/dbraw/zinc/69/73/62/367697362.db2.gz HUHOCEGGVWVFOL-ABAIWWIYSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000615438885 367698125 /nfs/dbraw/zinc/69/81/25/367698125.db2.gz HUHOCEGGVWVFOL-IAQYHMDHSA-N 1 0 244.338 2.322 20 30 BEEDRO C=Cn1cc(C[NH2+]CC(C)(C)C=C)cn1 ZINC000384929377 367760170 /nfs/dbraw/zinc/76/01/70/367760170.db2.gz HBRQSBANQANAIR-UHFFFAOYSA-N 1 0 205.305 2.285 20 30 BEEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385953666 367890018 /nfs/dbraw/zinc/89/00/18/367890018.db2.gz NBAWVPDWPIRHHH-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCc2c1cnn2C ZINC000386674727 368008736 /nfs/dbraw/zinc/00/87/36/368008736.db2.gz HAIYQBIPWJYVNQ-LBPRGKRZSA-N 1 0 219.332 2.353 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)C[C@@H](C)O)ccc1C#N ZINC000443992408 201606820 /nfs/dbraw/zinc/60/68/20/201606820.db2.gz XFPHBIVOICINBF-VXGBXAGGSA-N 1 0 232.327 2.116 20 30 BEEDRO C=CCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000046167648 368439034 /nfs/dbraw/zinc/43/90/34/368439034.db2.gz AWFYRZWFHKNJRG-UHFFFAOYSA-N 1 0 230.355 2.299 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1OC ZINC000066695839 368658180 /nfs/dbraw/zinc/65/81/80/368658180.db2.gz ZMMRHANXGCAQDO-CQSZACIVSA-N 1 0 245.322 2.474 20 30 BEEDRO C=CCCCC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457167367 203011795 /nfs/dbraw/zinc/01/17/95/203011795.db2.gz LYQCSSBVTZUKCG-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000074287541 368835658 /nfs/dbraw/zinc/83/56/58/368835658.db2.gz BLMAGIREBPFTMS-OLZOCXBDSA-N 1 0 224.348 2.306 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(O)CCC(C)CC1 ZINC000083469072 368779906 /nfs/dbraw/zinc/77/99/06/368779906.db2.gz BGLPVRFXRVQTBS-OTTFEQOBSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000616014882 368884912 /nfs/dbraw/zinc/88/49/12/368884912.db2.gz FHYILHTXIXWINL-NEPJUHHUSA-N 1 0 232.331 2.281 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+]CC2(C#N)CC2)CCO1 ZINC000309704195 326165304 /nfs/dbraw/zinc/16/53/04/326165304.db2.gz NSVNWOVULNMTNP-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808731 368953688 /nfs/dbraw/zinc/95/36/88/368953688.db2.gz ATIZROSITUXUNU-CYDGBPFRSA-N 1 0 209.333 2.498 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](CO)CC2CC2)ccc1C#N ZINC000618195228 369086285 /nfs/dbraw/zinc/08/62/85/369086285.db2.gz OFAMGXWVQZIHAE-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO COC[C@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618831417 369223167 /nfs/dbraw/zinc/22/31/67/369223167.db2.gz PWAIMYCLNNYXDJ-IAQYHMDHSA-N 1 0 244.338 2.418 20 30 BEEDRO C=CCC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCCC1 ZINC000619104522 369282794 /nfs/dbraw/zinc/28/27/94/369282794.db2.gz OQRISLYIVUPHHH-LBPRGKRZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCC[NH+]1[C@H](C)CN(CC)C[C@H]1C ZINC000459482129 203291580 /nfs/dbraw/zinc/29/15/80/203291580.db2.gz QZQIXZKILOBXGG-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCc1cncn1C ZINC000459437679 203280471 /nfs/dbraw/zinc/28/04/71/203280471.db2.gz ZRTIRDIQFWSAGW-GFCCVEGCSA-N 1 0 219.332 2.003 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCc1cncn1C ZINC000459437680 203280799 /nfs/dbraw/zinc/28/07/99/203280799.db2.gz ZRTIRDIQFWSAGW-LBPRGKRZSA-N 1 0 219.332 2.003 20 30 BEEDRO CN(Cc1cncs1)[C@@H]1CCC[C@@H]1C#N ZINC000400112237 369343000 /nfs/dbraw/zinc/34/30/00/369343000.db2.gz QLPYNRBRYGDYDY-MWLCHTKSSA-N 1 0 221.329 2.267 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)on1 ZINC000459548340 203297706 /nfs/dbraw/zinc/29/77/06/203297706.db2.gz XWHVVKLSTLGKBM-AAEUAGOBSA-N 1 0 236.315 2.054 20 30 BEEDRO C[NH+](C)CC(C)(C)NCc1cccc(F)c1C#N ZINC000459555038 203300303 /nfs/dbraw/zinc/30/03/03/203300303.db2.gz FHKKFZJFUHCQAC-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000401470065 369363950 /nfs/dbraw/zinc/36/39/50/369363950.db2.gz OJFCSIAWUODJSP-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCc1cccc(Cl)c1 ZINC000459556007 203301825 /nfs/dbraw/zinc/30/18/25/203301825.db2.gz AFGNRSZRGZDCHU-LBPRGKRZSA-N 1 0 225.719 2.019 20 30 BEEDRO COCC1(C)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000459625512 203321467 /nfs/dbraw/zinc/32/14/67/203321467.db2.gz WVZKZMQRJIXHJC-UHFFFAOYSA-N 1 0 230.311 2.027 20 30 BEEDRO CC(C)O[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000404495348 369430681 /nfs/dbraw/zinc/43/06/81/369430681.db2.gz UJEUFFCERRMQKI-GFCCVEGCSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[N@@H+](Cc1cc(C#N)cs1)C[C@H](C)OC ZINC000361023476 369434079 /nfs/dbraw/zinc/43/40/79/369434079.db2.gz VXPYOLINCDXSGF-JTQLQIEISA-N 1 0 238.356 2.477 20 30 BEEDRO N#CCCOCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000404707139 369434829 /nfs/dbraw/zinc/43/48/29/369434829.db2.gz JXPAPOPALUHSSN-UHFFFAOYSA-N 1 0 244.285 2.038 20 30 BEEDRO CC(C)OCC[NH2+]CC(C)(C)CCC#N ZINC000164708782 203329069 /nfs/dbraw/zinc/32/90/69/203329069.db2.gz RRBOTHMRDWUJHU-UHFFFAOYSA-N 1 0 212.337 2.331 20 30 BEEDRO CC[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCOC1 ZINC000361252410 369440114 /nfs/dbraw/zinc/44/01/14/369440114.db2.gz QUFZONATKRYXBY-LLVKDONJSA-N 1 0 236.340 2.231 20 30 BEEDRO CSCCN1Cc2cccc(C#N)c2C1 ZINC000405049416 369443204 /nfs/dbraw/zinc/44/32/04/369443204.db2.gz ISYICBPMKNRHRS-UHFFFAOYSA-N 1 0 218.325 2.237 20 30 BEEDRO C[C@H]1C[C@@H](NCC2(C#N)CCCC2)CC[N@@H+]1C ZINC000405067977 369443437 /nfs/dbraw/zinc/44/34/37/369443437.db2.gz CBVZWVOIJJDXGI-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@@](C)(C[NH2+]CC1(C#N)CCCC1)OC ZINC000405169534 369448322 /nfs/dbraw/zinc/44/83/22/369448322.db2.gz MHHGIPOMSVOEBD-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO Cc1nc(C)c(C[NH+]2CCC(CC#N)CC2)o1 ZINC000259952243 370959859 /nfs/dbraw/zinc/95/98/59/370959859.db2.gz IVKBVGOSBKGUCB-UHFFFAOYSA-N 1 0 233.315 2.417 20 30 BEEDRO CC[C@H](COC)[NH2+]CC1(C#N)CCCC1 ZINC000405218754 369449896 /nfs/dbraw/zinc/44/98/96/369449896.db2.gz KFVXAJDGVYSWPN-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@@]1(C)C[C@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000619535115 369466889 /nfs/dbraw/zinc/46/68/89/369466889.db2.gz UKXJHIJHUDHASV-AAEUAGOBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCn1cccn1)[NH2+]CC(C)(C)CC#N ZINC000459726721 203342475 /nfs/dbraw/zinc/34/24/75/203342475.db2.gz FMUSFZRBAHLTIB-GFCCVEGCSA-N 1 0 234.347 2.191 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccn(C)n1 ZINC000459742251 203348888 /nfs/dbraw/zinc/34/88/88/203348888.db2.gz FVMILVHTSJYBKR-SRVKXCTJSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1COC[C@@H]1OC ZINC000459753078 203356325 /nfs/dbraw/zinc/35/63/25/203356325.db2.gz JVXYPBHVVIGFNY-UPJWGTAASA-N 1 0 227.348 2.125 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459759058 203357924 /nfs/dbraw/zinc/35/79/24/203357924.db2.gz LSNIJPAZSWMOQB-BNDIWNMDSA-N 1 0 204.317 2.457 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459759062 203358824 /nfs/dbraw/zinc/35/88/24/203358824.db2.gz LSNIJPAZSWMOQB-NAWOPXAZSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765996 203360943 /nfs/dbraw/zinc/36/09/43/203360943.db2.gz DMBNYJKQYBDLPJ-VOAKCMCISA-N 1 0 209.333 2.092 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000459771892 203363572 /nfs/dbraw/zinc/36/35/72/203363572.db2.gz IXEAYSXUYXQWDA-CABCVRRESA-N 1 0 247.313 2.334 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccn(C)n1 ZINC000459742247 203350225 /nfs/dbraw/zinc/35/02/25/203350225.db2.gz FVMILVHTSJYBKR-QJPTWQEYSA-N 1 0 232.331 2.153 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000459748967 203353696 /nfs/dbraw/zinc/35/36/96/203353696.db2.gz XVIBSIQQVHTISU-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000619658376 369512593 /nfs/dbraw/zinc/51/25/93/369512593.db2.gz JZPFHKLCBUCJBZ-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCC[C@@H]1C#N ZINC000250370439 369516665 /nfs/dbraw/zinc/51/66/65/369516665.db2.gz HCYMKIWWOAODAV-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000459785150 203368463 /nfs/dbraw/zinc/36/84/63/203368463.db2.gz YZYYWUJTZNRPKZ-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C[C@H](Sc1ncc2ccccn21)C(=O)OC ZINC000619687363 369528300 /nfs/dbraw/zinc/52/83/00/369528300.db2.gz RQIWZCOGJLCKJQ-JTQLQIEISA-N 1 0 248.307 2.154 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CCC[C@@H](C(C)C)C1 ZINC000619722163 369552592 /nfs/dbraw/zinc/55/25/92/369552592.db2.gz PHCZMKIKXGLAJC-NEPJUHHUSA-N 1 0 225.332 2.082 20 30 BEEDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1cccc(C#N)c1 ZINC000600712255 369559491 /nfs/dbraw/zinc/55/94/91/369559491.db2.gz WIMJGNWOVLBEFD-TUKIKUTGSA-N 1 0 243.354 2.349 20 30 BEEDRO Cc1ccc(CN2CCCC[C@H]2C[NH3+])cc1C#N ZINC000600706435 369559587 /nfs/dbraw/zinc/55/95/87/369559587.db2.gz WHMOUXOLDUPKGK-HNNXBMFYSA-N 1 0 243.354 2.180 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000619753527 369573004 /nfs/dbraw/zinc/57/30/04/369573004.db2.gz KZPPIEJZPGNVSQ-HUUCEWRRSA-N 1 0 247.386 2.143 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1O)CC2 ZINC000601304062 369620370 /nfs/dbraw/zinc/62/03/70/369620370.db2.gz JROUUUXTFQBPRO-ILXRZTDVSA-N 1 0 242.322 2.049 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000601304394 369620408 /nfs/dbraw/zinc/62/04/08/369620408.db2.gz MPJVLYAZPPJXDQ-IIMNLJJBSA-N 1 0 248.301 2.261 20 30 BEEDRO CC(C)(F)C[NH2+]Cc1cccc(C#N)c1 ZINC000601137586 369595527 /nfs/dbraw/zinc/59/55/27/369595527.db2.gz ZKYYQPADXZZSGN-UHFFFAOYSA-N 1 0 206.264 2.396 20 30 BEEDRO CC(C)(F)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000601136912 369595920 /nfs/dbraw/zinc/59/59/20/369595920.db2.gz MLDOGXBOUJEHDT-UHFFFAOYSA-N 1 0 246.289 2.044 20 30 BEEDRO CC(C)(F)C[NH2+]Cc1ccc(C#N)s1 ZINC000601137004 369596009 /nfs/dbraw/zinc/59/60/09/369596009.db2.gz PIUVROOSJQTCBE-UHFFFAOYSA-N 1 0 212.293 2.457 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000619904451 369635806 /nfs/dbraw/zinc/63/58/06/369635806.db2.gz KPLHJXTTWZOBNP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C[C@H]1CCCOC1 ZINC000602009919 369734113 /nfs/dbraw/zinc/73/41/13/369734113.db2.gz ZCBQSCIHLLXRGB-LLVKDONJSA-N 1 0 248.301 2.214 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000602015544 369735537 /nfs/dbraw/zinc/73/55/37/369735537.db2.gz MFAKOZYGNZTOFT-LLVKDONJSA-N 1 0 248.301 2.214 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCOCC1 ZINC000602016432 369736322 /nfs/dbraw/zinc/73/63/22/369736322.db2.gz WEXXDWGABQUJIJ-GFCCVEGCSA-N 1 0 248.301 2.356 20 30 BEEDRO CC(F)(F)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602674262 369839837 /nfs/dbraw/zinc/83/98/37/369839837.db2.gz XCJLEXUBCSVUOY-UHFFFAOYSA-N 1 0 225.242 2.088 20 30 BEEDRO CCC1([NH2+]Cc2cccc(C#N)n2)CCOCC1 ZINC000602589673 369818638 /nfs/dbraw/zinc/81/86/38/369818638.db2.gz AVJJWNVWWXMZFC-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cccc(C#N)n1 ZINC000602611413 369827542 /nfs/dbraw/zinc/82/75/42/369827542.db2.gz NQEKHMRFZUSFAK-MRVPVSSYSA-N 1 0 243.232 2.384 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)n1 ZINC000602624292 369831102 /nfs/dbraw/zinc/83/11/02/369831102.db2.gz LQAYDYQVAZEBAO-FZMZJTMJSA-N 1 0 227.311 2.328 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602638607 369832388 /nfs/dbraw/zinc/83/23/88/369832388.db2.gz RJSJNANJKSNDFB-NWDGAFQWSA-N 1 0 229.327 2.479 20 30 BEEDRO N#Cc1ccc(F)c(C2=CC[NH2+]CC2)c1 ZINC000602420750 369787220 /nfs/dbraw/zinc/78/72/20/369787220.db2.gz FNGCKQCTGGIYJC-UHFFFAOYSA-N 1 0 202.232 2.074 20 30 BEEDRO C[C@@H]1C[NH+](Cc2cccc(C#N)n2)C[C@H]1C ZINC000602474006 369793268 /nfs/dbraw/zinc/79/32/68/369793268.db2.gz NORNMJJYLQNINX-GHMZBOCLSA-N 1 0 215.300 2.041 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)n1 ZINC000602479919 369793276 /nfs/dbraw/zinc/79/32/76/369793276.db2.gz SEACQBQZXHBGQU-GFCCVEGCSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@@H]1C ZINC000602482019 369794312 /nfs/dbraw/zinc/79/43/12/369794312.db2.gz DOMSUCYYVMNKRF-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2CCCCC2)n1 ZINC000602507492 369798058 /nfs/dbraw/zinc/79/80/58/369798058.db2.gz SNFUZPTWBSWKPU-UHFFFAOYSA-N 1 0 215.300 2.376 20 30 BEEDRO CCCCOCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602501638 369798129 /nfs/dbraw/zinc/79/81/29/369798129.db2.gz BFGKUDGYQMRLQD-UHFFFAOYSA-N 1 0 247.342 2.250 20 30 BEEDRO CC1([NH2+]Cc2cccc(C#N)n2)CCCC1 ZINC000602505620 369798994 /nfs/dbraw/zinc/79/89/94/369798994.db2.gz ZWIJWAISZCWDKI-UHFFFAOYSA-N 1 0 215.300 2.376 20 30 BEEDRO CC1([NH2+]Cc2cccc(C#N)n2)CC=CC1 ZINC000602706424 369844590 /nfs/dbraw/zinc/84/45/90/369844590.db2.gz RJYSCUUHORUVLJ-UHFFFAOYSA-N 1 0 213.284 2.152 20 30 BEEDRO CC(C)[C@H]([NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602717919 369847871 /nfs/dbraw/zinc/84/78/71/369847871.db2.gz KLYLZYUNMIZZDL-AWEZNQCLSA-N 1 0 229.327 2.477 20 30 BEEDRO COCc1cc(C#N)ccc1NC[C@@H](C)[NH+](C)C ZINC000603279714 369908657 /nfs/dbraw/zinc/90/86/57/369908657.db2.gz UAFNLLOTZHACIF-LLVKDONJSA-N 1 0 247.342 2.067 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2)C[C@@H]1C ZINC000110750630 369973403 /nfs/dbraw/zinc/97/34/03/369973403.db2.gz KBFCTHHUZQMBSO-LBPRGKRZSA-N 1 0 229.327 2.089 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621161441 370133010 /nfs/dbraw/zinc/13/30/10/370133010.db2.gz ZLXZMQNUWKKGTO-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CCCOCC[NH+]1CCC2(CCC2)CC1 ZINC000308742131 370156816 /nfs/dbraw/zinc/15/68/16/370156816.db2.gz JRVZBXRMVSWKCY-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO Cc1ncc(CN(C)C[C@@H](C#N)CCC#N)s1 ZINC000076514285 370303910 /nfs/dbraw/zinc/30/39/10/370303910.db2.gz UREJDMKLKUMYJE-LLVKDONJSA-N 1 0 248.355 2.327 20 30 BEEDRO CC(C)CC[N@H+](C)C[C@H](C#N)CCC#N ZINC000076520500 370305458 /nfs/dbraw/zinc/30/54/58/370305458.db2.gz LWIANCYRUXHNME-LBPRGKRZSA-N 1 0 207.321 2.408 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000310617153 370357158 /nfs/dbraw/zinc/35/71/58/370357158.db2.gz GZNIBOLIUQMREF-IUODEOHRSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621685709 370435702 /nfs/dbraw/zinc/43/57/02/370435702.db2.gz JIRABOHLVQHDOQ-ZFWWWQNUSA-N 1 0 248.370 2.095 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000114729426 370592067 /nfs/dbraw/zinc/59/20/67/370592067.db2.gz OSFAXFKOXLYPNM-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000078527234 370571608 /nfs/dbraw/zinc/57/16/08/370571608.db2.gz PZFQCGFSHBNWIA-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)COc1ccccc1C ZINC000313497613 370591482 /nfs/dbraw/zinc/59/14/82/370591482.db2.gz DNQFQFREZZOUOL-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(CO)o1 ZINC000568709944 326372675 /nfs/dbraw/zinc/37/26/75/326372675.db2.gz ZKZJPGIXWFNGQZ-LLVKDONJSA-N 1 0 221.300 2.312 20 30 BEEDRO CC(C)([NH3+])CCC(=O)Nc1cccc(C#N)c1 ZINC000070086519 371008064 /nfs/dbraw/zinc/00/80/64/371008064.db2.gz CUGFTSCIYJIWGS-UHFFFAOYSA-N 1 0 231.299 2.014 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000092393853 371097483 /nfs/dbraw/zinc/09/74/83/371097483.db2.gz YZRATKZZDQAJQV-FZMZJTMJSA-N 1 0 232.327 2.226 20 30 BEEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000123903200 371124081 /nfs/dbraw/zinc/12/40/81/371124081.db2.gz FWLSDNKZUOQHFM-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)o1)CC1CCOCC1 ZINC000093284583 371150854 /nfs/dbraw/zinc/15/08/54/371150854.db2.gz XJHSLFSCPDKZKJ-UHFFFAOYSA-N 1 0 234.299 2.010 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000093280279 371151274 /nfs/dbraw/zinc/15/12/74/371151274.db2.gz RBERJKVTLMWGSQ-LLVKDONJSA-N 1 0 225.332 2.084 20 30 BEEDRO CC[N@@H+]1CCCC[C@H]1CNc1cnccc1C#N ZINC000094157824 371197397 /nfs/dbraw/zinc/19/73/97/371197397.db2.gz IYGFLZNQJVJYRO-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)o1 ZINC000093505872 371176615 /nfs/dbraw/zinc/17/66/15/371176615.db2.gz QBONWFXJDOTUPI-RISCZKNCSA-N 1 0 246.310 2.152 20 30 BEEDRO C[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000019950776 371209167 /nfs/dbraw/zinc/20/91/67/371209167.db2.gz OJKSUQHDZVYYJT-UHFFFAOYSA-N 1 0 215.300 2.064 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623996551 371229184 /nfs/dbraw/zinc/22/91/84/371229184.db2.gz KKONHYHPNVTOHO-MNOVXSKESA-N 1 0 240.372 2.429 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000390756012 371230542 /nfs/dbraw/zinc/23/05/42/371230542.db2.gz HOMMHBCECPRTBS-NEPJUHHUSA-N 1 0 215.300 2.254 20 30 BEEDRO C[C@@H]1C[C@@H](Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000155801156 371297226 /nfs/dbraw/zinc/29/72/26/371297226.db2.gz RTQGMDLNLCUBBZ-RISCZKNCSA-N 1 0 229.327 2.453 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000624037267 371264772 /nfs/dbraw/zinc/26/47/72/371264772.db2.gz TUCKQZCNXCGYMJ-SNVBAGLBSA-N 1 0 235.331 2.435 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](CC)Cn1cncn1 ZINC000624036882 371264900 /nfs/dbraw/zinc/26/49/00/371264900.db2.gz BYTMQTXJOYFBDZ-GFCCVEGCSA-N 1 0 236.363 2.249 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000624088094 371299004 /nfs/dbraw/zinc/29/90/04/371299004.db2.gz ZYBGFVLFLQECRU-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO Cc1nnc([C@@H](C)NCC2(CC#N)CC2)s1 ZINC000391941009 371352962 /nfs/dbraw/zinc/35/29/62/371352962.db2.gz PBXZSDSUGBUBRO-MRVPVSSYSA-N 1 0 236.344 2.191 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000624223640 371412499 /nfs/dbraw/zinc/41/24/99/371412499.db2.gz ZRARUSHSXNVMJW-CYZMBNFOSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624258927 371444843 /nfs/dbraw/zinc/44/48/43/371444843.db2.gz YHCGPGXJBARAHC-MNOVXSKESA-N 1 0 220.316 2.478 20 30 BEEDRO CC1([NH2+]Cc2cc(C#N)cs2)CCOCC1 ZINC000131179239 371566207 /nfs/dbraw/zinc/56/62/07/371566207.db2.gz RGYBXNWIFJUGEG-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO CCC[NH+]1CCC(Nc2cnccc2C#N)CC1 ZINC000162044253 371604917 /nfs/dbraw/zinc/60/49/17/371604917.db2.gz ACMSARXBQQGBII-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000226870129 371753797 /nfs/dbraw/zinc/75/37/97/371753797.db2.gz RUMCLFWWGPFMCZ-AAEUAGOBSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000226870124 371754488 /nfs/dbraw/zinc/75/44/88/371754488.db2.gz RUMCLFWWGPFMCZ-WCQYABFASA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)CCCCCO ZINC000227062835 371777211 /nfs/dbraw/zinc/77/72/11/371777211.db2.gz SDZABUYYONXCDP-UHFFFAOYSA-N 1 0 246.354 2.461 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000227634546 371911911 /nfs/dbraw/zinc/91/19/11/371911911.db2.gz BNTWIUAWPFSORR-UHFFFAOYSA-N 1 0 244.338 2.199 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000229692918 372182198 /nfs/dbraw/zinc/18/21/98/372182198.db2.gz OUCVPEIALBAVLH-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000229151249 372123934 /nfs/dbraw/zinc/12/39/34/372123934.db2.gz XDWFGFOSMYZGJR-SWLSCSKDSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631153757 372210511 /nfs/dbraw/zinc/21/05/11/372210511.db2.gz IJWVOCCHSKSKMU-UHFFFAOYSA-N 1 0 233.359 2.355 20 30 BEEDRO CCOC(=O)C[N@H+](CCCCC#N)CC(C)C ZINC000171034916 372262210 /nfs/dbraw/zinc/26/22/10/372262210.db2.gz FAPYSLHWLGUGDJ-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631618028 372465046 /nfs/dbraw/zinc/46/50/46/372465046.db2.gz ZHYUAOSEDUOWTJ-OAHLLOKOSA-N 1 0 247.338 2.475 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2O)C1 ZINC000631742342 372542202 /nfs/dbraw/zinc/54/22/02/372542202.db2.gz RCJLZDHCKLDINJ-VOAKCMCISA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCCCN1CCOc2ccc(C[NH3+])cc21 ZINC000631830832 372614610 /nfs/dbraw/zinc/61/46/10/372614610.db2.gz FOQAUWZSNDBUPB-UHFFFAOYSA-N 1 0 232.327 2.310 20 30 BEEDRO C=CCCCN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886426 372682515 /nfs/dbraw/zinc/68/25/15/372682515.db2.gz HBCAXGBUHCIDRL-CHWSQXEVSA-N 1 0 208.349 2.027 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001643134613 1172438208 /nfs/dbraw/zinc/43/82/08/1172438208.db2.gz CSPAHOWRUMJQLC-GFCCVEGCSA-N 1 0 215.300 2.231 20 30 BEEDRO CCc1nc(CNc2ccc(C#N)c(C)n2)c[nH]1 ZINC001643237797 1172451390 /nfs/dbraw/zinc/45/13/90/1172451390.db2.gz RQTTURPPQXPTSH-UHFFFAOYSA-N 1 0 241.298 2.159 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000417980553 205970105 /nfs/dbraw/zinc/97/01/05/205970105.db2.gz KPLUOXXQJPJTRQ-RYUDHWBXSA-N 1 0 241.379 2.158 20 30 BEEDRO Cc1ccc(CC[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000174377891 374187615 /nfs/dbraw/zinc/18/76/15/374187615.db2.gz JOTRMROSFJSDLP-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO Cc1cccc(OCCN[C@H](C)CC#N)c1 ZINC000042896680 374296739 /nfs/dbraw/zinc/29/67/39/374296739.db2.gz KXPLVRDZHWMABH-GFCCVEGCSA-N 1 0 218.300 2.266 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000183231696 206011152 /nfs/dbraw/zinc/01/11/52/206011152.db2.gz LRDBICOKAAEYQW-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000424381301 206039119 /nfs/dbraw/zinc/03/91/19/206039119.db2.gz YIUKZEABMBVAJY-KCPJHIHWSA-N 1 0 243.354 2.479 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000424635353 206044066 /nfs/dbraw/zinc/04/40/66/206044066.db2.gz GPTLUFICWORDGA-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449425558 206098681 /nfs/dbraw/zinc/09/86/81/206098681.db2.gz HTHFVXNZWRJFEY-LOWDOPEQSA-N 1 0 211.349 2.338 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC2(C#N)CC2)C[C@H]1C ZINC000451544940 206108082 /nfs/dbraw/zinc/10/80/82/206108082.db2.gz QKYHLFJLNUIDSK-NEPJUHHUSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592706 206109329 /nfs/dbraw/zinc/10/93/29/206109329.db2.gz AHCJRHSEXNDXKJ-UONOGXRCSA-N 1 0 223.360 2.339 20 30 BEEDRO CC#CC[N@H+]1CCC[C@@]1(CCC)COC ZINC000194926043 206112875 /nfs/dbraw/zinc/11/28/75/206112875.db2.gz ZFRFQGHNALYHPH-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C1CC1 ZINC000459460495 206128934 /nfs/dbraw/zinc/12/89/34/206128934.db2.gz FQNBTXOPCDGCBV-UHFFFAOYSA-N 1 0 245.326 2.210 20 30 BEEDRO CC[NH+](CC)CCN(C)Cc1cccc(C#N)c1 ZINC000058617300 1172475041 /nfs/dbraw/zinc/47/50/41/1172475041.db2.gz OQFYKFGCLLIDPH-UHFFFAOYSA-N 1 0 245.370 2.332 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CCOCCO ZINC000059090371 1172505071 /nfs/dbraw/zinc/50/50/71/1172505071.db2.gz WQUHWXBMNYPUED-ZDUSSCGKSA-N 1 0 231.380 2.334 20 30 BEEDRO OC[C@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267390961 183151025 /nfs/dbraw/zinc/15/10/25/183151025.db2.gz ORPJPRPWTWWDFP-CQSZACIVSA-N 1 0 249.741 2.148 20 30 BEEDRO OC[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000151225196 183152262 /nfs/dbraw/zinc/15/22/62/183152262.db2.gz ZFSSRCTXDULCJU-ZDUSSCGKSA-N 1 0 249.741 2.006 20 30 BEEDRO CCC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000037098385 169075715 /nfs/dbraw/zinc/07/57/15/169075715.db2.gz VKIBMWSTEAJEBB-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037098393 169086311 /nfs/dbraw/zinc/08/63/11/169086311.db2.gz HWOYDPAYJHKJSV-LLVKDONJSA-N 1 0 245.326 2.227 20 30 BEEDRO CCC[N@H+](CC)CCNc1cccc(C#N)n1 ZINC000229781672 169122363 /nfs/dbraw/zinc/12/23/63/169122363.db2.gz TZBPOZQBMNIXLR-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CCC[N@H+](CC)CCNc1ccc(C#N)cn1 ZINC000080677991 169123505 /nfs/dbraw/zinc/12/35/05/169123505.db2.gz LIZNNCYGMCGBRP-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CCC[N@H+](CC)CCNCc1cccc(C#N)c1 ZINC000080242087 169123910 /nfs/dbraw/zinc/12/39/10/169123910.db2.gz CPLMUXQAKGEMBD-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C#N)cn1 ZINC000290797311 169124676 /nfs/dbraw/zinc/12/46/76/169124676.db2.gz OPVXFNCEMCYXFN-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1cnccc1C#N ZINC000290925401 169125561 /nfs/dbraw/zinc/12/55/61/169125561.db2.gz YCBGUTGLFDKCNX-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)Nc1cccc(C#N)n1 ZINC000357774070 169129299 /nfs/dbraw/zinc/12/92/99/169129299.db2.gz IVDWXVTVOULYPK-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(C#N)ccn1 ZINC000357804232 169129740 /nfs/dbraw/zinc/12/97/40/169129740.db2.gz LHMSMPNRFUIQTD-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CC)Cc1cc(C#N)n(C)c1 ZINC000276748497 169130670 /nfs/dbraw/zinc/13/06/70/169130670.db2.gz KJNMXAHFMVOCAD-UHFFFAOYSA-N 1 0 205.305 2.129 20 30 BEEDRO CCCN(CCC[NH+](C)C)c1ncccc1C#N ZINC000190400377 169156787 /nfs/dbraw/zinc/15/67/87/169156787.db2.gz IQXHSKFMGJPMPI-UHFFFAOYSA-N 1 0 246.358 2.121 20 30 BEEDRO CCC[NH+]1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000042316792 169190126 /nfs/dbraw/zinc/19/01/26/169190126.db2.gz SNBRBTWQYHYKJQ-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CCC[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000156971449 169202439 /nfs/dbraw/zinc/20/24/39/169202439.db2.gz MPKNBKSVDWPMPN-UHFFFAOYSA-N 1 0 249.383 2.147 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000299651477 169207300 /nfs/dbraw/zinc/20/73/00/169207300.db2.gz YIKRYQKEWBVTSN-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](CNc2cccnc2C#N)C1 ZINC000277487413 169207646 /nfs/dbraw/zinc/20/76/46/169207646.db2.gz DFCXOLBIYNBRGQ-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CC[NH2+][C@@H](COC)c1ccc(F)c(F)c1 ZINC000181422604 134339267 /nfs/dbraw/zinc/33/92/67/134339267.db2.gz RLXHSGIGUJEUTI-LBPRGKRZSA-N 1 0 227.254 2.428 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC001644687987 1172591240 /nfs/dbraw/zinc/59/12/40/1172591240.db2.gz MOWPAYYOVYQJMB-ZDUSSCGKSA-N 1 0 248.370 2.307 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C)c(F)c1 ZINC000184264504 134361779 /nfs/dbraw/zinc/36/17/79/134361779.db2.gz WZZNGRBIICGNBP-GFCCVEGCSA-N 1 0 223.291 2.161 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000184495078 134364586 /nfs/dbraw/zinc/36/45/86/134364586.db2.gz RQHBNIHYPSFIHO-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000228068699 259635866 /nfs/dbraw/zinc/63/58/66/259635866.db2.gz XHEDLYOSYMELFC-MELADBBJSA-N 1 0 223.360 2.482 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000294062043 532983533 /nfs/dbraw/zinc/98/35/33/532983533.db2.gz KBQLJQIVXUQVER-AWEZNQCLSA-N 1 0 249.329 2.073 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC[N@@H+](C)C2CC2)n1 ZINC000062010305 383858110 /nfs/dbraw/zinc/85/81/10/383858110.db2.gz MWFSYNUROIXBFD-UHFFFAOYSA-N 1 0 244.342 2.076 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)Nc1cccc(C#N)n1 ZINC000081595868 383864654 /nfs/dbraw/zinc/86/46/54/383864654.db2.gz YAHCRPOZRCJKCY-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000334431930 383878205 /nfs/dbraw/zinc/87/82/05/383878205.db2.gz WMQPUXZHZUXXBJ-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000298546433 383913334 /nfs/dbraw/zinc/91/33/34/383913334.db2.gz NPXFVWKLULJYNO-JKSUJKDBSA-N 1 0 243.350 2.425 20 30 BEEDRO CCC1C[NH+](Cc2ccc(C#N)s2)C1 ZINC000334522235 383914588 /nfs/dbraw/zinc/91/45/88/383914588.db2.gz MCTVCFBKGKOGMC-UHFFFAOYSA-N 1 0 206.314 2.462 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000298530004 383918040 /nfs/dbraw/zinc/91/80/40/383918040.db2.gz MDDVKACGXJTAJG-UHFFFAOYSA-N 1 0 244.338 2.359 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000285535365 383895751 /nfs/dbraw/zinc/89/57/51/383895751.db2.gz FPYXJZGTNJHXCI-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000298451366 383896835 /nfs/dbraw/zinc/89/68/35/383896835.db2.gz RCAPQODCXISAEG-MNOVXSKESA-N 1 0 245.750 2.450 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1F ZINC000285535366 383897399 /nfs/dbraw/zinc/89/73/99/383897399.db2.gz FPYXJZGTNJHXCI-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1C ZINC000186697460 383898324 /nfs/dbraw/zinc/89/83/24/383898324.db2.gz KSKUHVZUOUVVKO-HIFRSBDPSA-N 1 0 233.355 2.453 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C3CC3)C2)o1 ZINC000156971544 383905212 /nfs/dbraw/zinc/90/52/12/383905212.db2.gz JBFXOCMUPCVKSR-RISCZKNCSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@H]2CC=CCC2)n1 ZINC000309600280 383986507 /nfs/dbraw/zinc/98/65/07/383986507.db2.gz WHAUZMDGEINXEX-JTQLQIEISA-N 1 0 233.340 2.461 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000339495088 383988660 /nfs/dbraw/zinc/98/86/60/383988660.db2.gz WLNCGVJKFDBOSQ-SNVBAGLBSA-N 1 0 246.289 2.044 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1cc(C#N)cs1 ZINC000339481272 383988941 /nfs/dbraw/zinc/98/89/41/383988941.db2.gz CNTFNBIOIDNZDU-MRVPVSSYSA-N 1 0 212.293 2.457 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000339526730 383992741 /nfs/dbraw/zinc/99/27/41/383992741.db2.gz KPASVAWTDIXIMU-LBPRGKRZSA-N 1 0 236.340 2.134 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSC2)cc1F ZINC000334738793 383945615 /nfs/dbraw/zinc/94/56/15/383945615.db2.gz QOBNCCPKMFSSCJ-LLVKDONJSA-N 1 0 236.315 2.292 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000116926460 383947526 /nfs/dbraw/zinc/94/75/26/383947526.db2.gz ROMGWUVEGXKESZ-SNVBAGLBSA-N 1 0 249.310 2.478 20 30 BEEDRO Cn1cc(C[NH+]2CC(C3CCC3)C2)cc1C#N ZINC000334760488 383950342 /nfs/dbraw/zinc/95/03/42/383950342.db2.gz KPMJXIYJIISISM-UHFFFAOYSA-N 1 0 229.327 2.129 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000339294163 383951311 /nfs/dbraw/zinc/95/13/11/383951311.db2.gz VZCHEYJGKYMLOM-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000186709031 383956519 /nfs/dbraw/zinc/95/65/19/383956519.db2.gz YWZQICYXPOSAHM-DGCLKSJQSA-N 1 0 237.347 2.052 20 30 BEEDRO CC(C)(COCc1ccccc1)[NH2+]CCC#N ZINC000298595054 383961747 /nfs/dbraw/zinc/96/17/47/383961747.db2.gz RZQASHDMDYENFU-UHFFFAOYSA-N 1 0 232.327 2.485 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000298855996 384024224 /nfs/dbraw/zinc/02/42/24/384024224.db2.gz NYMFPKJEDPBBQU-CYBMUJFWSA-N 1 0 246.354 2.118 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)CC1(O)CCCC1 ZINC000221111892 384010838 /nfs/dbraw/zinc/01/08/38/384010838.db2.gz FMEVRWHTHPNGKM-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@H](CNc1cccc(F)c1C#N)C[NH+](C)C ZINC000310189090 384090490 /nfs/dbraw/zinc/09/04/90/384090490.db2.gz YILIJPIBALQTCH-SNVBAGLBSA-N 1 0 235.306 2.307 20 30 BEEDRO C#CCCN1CCO[C@H](c2ccccc2F)C1 ZINC000363461383 384064158 /nfs/dbraw/zinc/06/41/58/384064158.db2.gz PNQODYLYXANQGH-AWEZNQCLSA-N 1 0 233.286 2.222 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(COC)cc1 ZINC000229882868 259644097 /nfs/dbraw/zinc/64/40/97/259644097.db2.gz RMQQJIGSXBSUFB-AWEZNQCLSA-N 1 0 217.312 2.334 20 30 BEEDRO C[C@@H](O)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000310184240 384091611 /nfs/dbraw/zinc/09/16/11/384091611.db2.gz XCYLNKMHBMAANA-GFCCVEGCSA-N 1 0 232.327 2.151 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000449516921 384134208 /nfs/dbraw/zinc/13/42/08/384134208.db2.gz IFQYLGPKAZPAAG-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1sccc1OC ZINC000449517341 384149648 /nfs/dbraw/zinc/14/96/48/384149648.db2.gz FKWANZNPDXQAHY-ZJUUUORDSA-N 1 0 239.340 2.190 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000185794040 134394566 /nfs/dbraw/zinc/39/45/66/134394566.db2.gz GTGBFEKSWOLDTN-ZYHUDNBSSA-N 1 0 204.273 2.452 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185753221 134392769 /nfs/dbraw/zinc/39/27/69/134392769.db2.gz ICRXXAOUYAJOBL-BFHYXJOUSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000449518217 384160941 /nfs/dbraw/zinc/16/09/41/384160941.db2.gz IRIVVHJGEKUPNX-KGLIPLIRSA-N 1 0 246.285 2.130 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)COC)c1ccc(F)cc1 ZINC000309620686 384171134 /nfs/dbraw/zinc/17/11/34/384171134.db2.gz FBLZLKGYDUQJKY-MFKMUULPSA-N 1 0 221.275 2.125 20 30 BEEDRO CCC(CC)(CO)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185871528 134397893 /nfs/dbraw/zinc/39/78/93/134397893.db2.gz MIRZIRHHYKWIDT-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000449523384 384204673 /nfs/dbraw/zinc/20/46/73/384204673.db2.gz XRLYTJBNOHOJMR-TUUUFIMRSA-N 1 0 239.359 2.266 20 30 BEEDRO C#CCC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000369743864 533045990 /nfs/dbraw/zinc/04/59/90/533045990.db2.gz ADWCQNZVEUGHIR-UHFFFAOYSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000377789079 533046169 /nfs/dbraw/zinc/04/61/69/533046169.db2.gz VAWODQNQTGOTDB-CHWSQXEVSA-N 1 0 219.328 2.043 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000375580229 533046199 /nfs/dbraw/zinc/04/61/99/533046199.db2.gz XWVVXAPBEBOWFC-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@@H](CNc1cnccc1C#N)C[NH+]1CCCC1 ZINC000135606364 384195075 /nfs/dbraw/zinc/19/50/75/384195075.db2.gz YKIXUICLLFKPBJ-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000336510488 384232539 /nfs/dbraw/zinc/23/25/39/384232539.db2.gz BFVQTTOYHRCBPQ-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1O ZINC000336589307 384237967 /nfs/dbraw/zinc/23/79/67/384237967.db2.gz FYKANPGZWGEMJW-ZFWWWQNUSA-N 1 0 244.338 2.069 20 30 BEEDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000313140764 384237981 /nfs/dbraw/zinc/23/79/81/384237981.db2.gz HUFPTJZTNCXFCF-ZIAGYGMSSA-N 1 0 232.327 2.197 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000313150518 384239142 /nfs/dbraw/zinc/23/91/42/384239142.db2.gz LDTBHNKIQSNRGB-RYUDHWBXSA-N 1 0 238.356 2.259 20 30 BEEDRO Cc1cnc(CNCc2ccc(C#N)o2)s1 ZINC000164839675 384214441 /nfs/dbraw/zinc/21/44/41/384214441.db2.gz DZXZMPGNKUQLCQ-UHFFFAOYSA-N 1 0 233.296 2.206 20 30 BEEDRO C[C@@H](C[NH2+]CCCC#N)CC1CCOCC1 ZINC000309398997 134399922 /nfs/dbraw/zinc/39/99/22/134399922.db2.gz HCKZOHBYPIXVKQ-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCCC#N)[C@@H](C)C1 ZINC000308773123 384249251 /nfs/dbraw/zinc/24/92/51/384249251.db2.gz YFFDIEAWGVAITG-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000560618680 384264326 /nfs/dbraw/zinc/26/43/26/384264326.db2.gz KERZVPAZLXODAE-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@@H]1[C@H](C)N(Cc2ccccc2C#N)CC[N@H+]1C ZINC000335757709 384372464 /nfs/dbraw/zinc/37/24/64/384372464.db2.gz MITCWDGFTWVDDN-OLZOCXBDSA-N 1 0 243.354 2.083 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000363334341 384323346 /nfs/dbraw/zinc/32/33/46/384323346.db2.gz XOMHPLHINDGFOF-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000335620175 384398028 /nfs/dbraw/zinc/39/80/28/384398028.db2.gz NJEIGZATXNWFIT-MNOVXSKESA-N 1 0 219.288 2.073 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1nccnc1C ZINC000313478550 384418136 /nfs/dbraw/zinc/41/81/36/384418136.db2.gz DXNSKCUVAQPACV-LLVKDONJSA-N 1 0 205.305 2.402 20 30 BEEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C)s1 ZINC000330364368 384376543 /nfs/dbraw/zinc/37/65/43/384376543.db2.gz LOHRQELYSMOTFL-UHFFFAOYSA-N 1 0 241.360 2.380 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCCn1cccn1 ZINC000078052281 384429048 /nfs/dbraw/zinc/42/90/48/384429048.db2.gz BPJOMKNYXMMQBZ-UHFFFAOYSA-N 1 0 234.347 2.193 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1CC ZINC000249403615 384505650 /nfs/dbraw/zinc/50/56/50/384505650.db2.gz CLJVWXDWHYEZCM-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000249112561 384490012 /nfs/dbraw/zinc/49/00/12/384490012.db2.gz RLJDBLZPUIFZRZ-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO CCN(CCC[NH+](CC)CC)C[C@H](C)C#N ZINC000170794117 384521367 /nfs/dbraw/zinc/52/13/67/384521367.db2.gz BRKRKIZPXOKUPM-CYBMUJFWSA-N 1 0 225.380 2.200 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCc2nccs2)C1 ZINC000309569128 384528562 /nfs/dbraw/zinc/52/85/62/384528562.db2.gz MGCKTIFUQVDQOZ-MNOVXSKESA-N 1 0 235.356 2.358 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335867797 384530539 /nfs/dbraw/zinc/53/05/39/384530539.db2.gz LFSFHNCKELQPJR-ZDUSSCGKSA-N 1 0 244.338 2.221 20 30 BEEDRO C[NH2+]C[C@@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423280321 384531143 /nfs/dbraw/zinc/53/11/43/384531143.db2.gz UMLYMJOYIMLKSD-MNOVXSKESA-N 1 0 249.333 2.203 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)O1 ZINC000449446708 384547028 /nfs/dbraw/zinc/54/70/28/384547028.db2.gz UCQBXRVPVCXPCW-BNDIWNMDSA-N 1 0 222.332 2.224 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)Cc1cccnc1 ZINC001645156803 1172639590 /nfs/dbraw/zinc/63/95/90/1172639590.db2.gz FGSKRYMITHHTHJ-GFCCVEGCSA-N 1 0 202.301 2.315 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCC[C@H](C)C1 ZINC000076735393 384558814 /nfs/dbraw/zinc/55/88/14/384558814.db2.gz VVZGQIHMUIDILV-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCOC1 ZINC000310012407 384562180 /nfs/dbraw/zinc/56/21/80/384562180.db2.gz JBZHXZKZXKQNNM-LOWDOPEQSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H]([NH3+])CCC)c1 ZINC000236787486 384578543 /nfs/dbraw/zinc/57/85/43/384578543.db2.gz ALMMSOZYASINHU-CYBMUJFWSA-N 1 0 248.326 2.317 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCOCC1CCCC1 ZINC000561239197 384587233 /nfs/dbraw/zinc/58/72/33/384587233.db2.gz BCCQVCWFEBIRTB-CQSZACIVSA-N 1 0 249.358 2.226 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361435183 384566044 /nfs/dbraw/zinc/56/60/44/384566044.db2.gz KDWYJZNYSYVDBK-BHPKHCPMSA-N 1 0 247.386 2.141 20 30 BEEDRO C=CCCC[N@@H+](CCO)Cc1ccccc1OC ZINC000117878804 384609525 /nfs/dbraw/zinc/60/95/25/384609525.db2.gz KLPBXIBDMVKPOX-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000309602700 384616125 /nfs/dbraw/zinc/61/61/25/384616125.db2.gz XCAUBQCCTFKXRO-YUTCNCBUSA-N 1 0 223.360 2.339 20 30 BEEDRO C[N@H+](CCCO)CCCCC(C)(C)C#N ZINC000300813149 384591547 /nfs/dbraw/zinc/59/15/47/384591547.db2.gz LIXKLJLFHDAKDR-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000309842361 384665086 /nfs/dbraw/zinc/66/50/86/384665086.db2.gz DYPWTPFPTIGBAX-NEPJUHHUSA-N 1 0 241.400 2.453 20 30 BEEDRO N#CCCC[C@@H]([NH2+]CCO)c1ccccc1 ZINC000309845099 384665114 /nfs/dbraw/zinc/66/51/14/384665114.db2.gz SKCAHFZSUNVDEA-CYBMUJFWSA-N 1 0 218.300 2.003 20 30 BEEDRO C[N@H+](CCCCC#N)CCC(=O)OC(C)(C)C ZINC000150824531 384638049 /nfs/dbraw/zinc/63/80/49/384638049.db2.gz DYCSORKZEHQOFL-UHFFFAOYSA-N 1 0 240.347 2.344 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000491774713 384647743 /nfs/dbraw/zinc/64/77/43/384647743.db2.gz AUKMMQYXEKAQMM-GFCCVEGCSA-N 1 0 239.359 2.452 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1C ZINC000309836800 384658684 /nfs/dbraw/zinc/65/86/84/384658684.db2.gz BLSHCYINLNTVIM-ZDUSSCGKSA-N 1 0 219.328 2.269 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(C#N)cc1 ZINC000135306226 384686924 /nfs/dbraw/zinc/68/69/24/384686924.db2.gz FTBDAHOYXKXLDX-MISXGVKJSA-N 1 0 230.311 2.386 20 30 BEEDRO CC1(C)CCC[C@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000601315009 384702921 /nfs/dbraw/zinc/70/29/21/384702921.db2.gz DCQWHTHMYJMLJP-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C[C@@H]1C ZINC000601316640 384707906 /nfs/dbraw/zinc/70/79/06/384707906.db2.gz OJRLYBNMXZEZFD-QLFBSQMISA-N 1 0 249.402 2.342 20 30 BEEDRO COCCC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000344701303 384708214 /nfs/dbraw/zinc/70/82/14/384708214.db2.gz PSJHJERTSKOESX-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO CC[N@H+](CC#Cc1ccc(F)cc1)CC(C)(C)O ZINC000155393153 384709594 /nfs/dbraw/zinc/70/95/94/384709594.db2.gz IHWRDSMFLIYCRG-UHFFFAOYSA-N 1 0 249.329 2.270 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C)CC2CCC2)nn1 ZINC000643902269 384778588 /nfs/dbraw/zinc/77/85/88/384778588.db2.gz RNBHGOHJSGGEKG-NSHDSACASA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]CC1(C)COC1 ZINC000083523087 384779080 /nfs/dbraw/zinc/77/90/80/384779080.db2.gz CNWPFXHKDCMZLR-UHFFFAOYSA-N 1 0 247.338 2.378 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000044499014 384753301 /nfs/dbraw/zinc/75/33/01/384753301.db2.gz BDXMRGABRRKGCF-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C=C(C)CC[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000363746987 384769097 /nfs/dbraw/zinc/76/90/97/384769097.db2.gz RILRNCCZDUNAGY-LBPRGKRZSA-N 1 0 237.343 2.228 20 30 BEEDRO CCCCN(C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310037191 384803694 /nfs/dbraw/zinc/80/36/94/384803694.db2.gz UWQITPZNVSCYKK-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccsc1 ZINC000297407704 384807591 /nfs/dbraw/zinc/80/75/91/384807591.db2.gz SZJJLNSOVLIAJL-MNOVXSKESA-N 1 0 211.330 2.336 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000104171920 384807699 /nfs/dbraw/zinc/80/76/99/384807699.db2.gz SRJLJIDTKLXOIC-CYBMUJFWSA-N 1 0 245.370 2.421 20 30 BEEDRO Cc1cn[nH]c1C[NH2+]CC(C)(C)CCC#N ZINC000336670006 384814955 /nfs/dbraw/zinc/81/49/55/384814955.db2.gz GQDTYKVAYXFOEB-UHFFFAOYSA-N 1 0 220.320 2.138 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307960947 384872722 /nfs/dbraw/zinc/87/27/22/384872722.db2.gz WVRICDNAGNIZIO-VIFPVBQESA-N 1 0 239.281 2.492 20 30 BEEDRO C#CC[N@@H+](CC[C@@H](C)O)[C@@H]1CCc2ccccc21 ZINC000491821881 384874834 /nfs/dbraw/zinc/87/48/34/384874834.db2.gz YUBWUECHWYDWJL-CZUORRHYSA-N 1 0 243.350 2.380 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cc(C#N)cs2)CCOC1 ZINC000309809897 384850891 /nfs/dbraw/zinc/85/08/91/384850891.db2.gz TYDVEHOIPGUIDA-LBPRGKRZSA-N 1 0 236.340 2.136 20 30 BEEDRO COc1cc(C[NH2+]C[C@@H]2C[C@@H]2C)ccc1C#N ZINC000234918884 384889256 /nfs/dbraw/zinc/88/92/56/384889256.db2.gz BGGRLVIOSVUAQA-GWCFXTLKSA-N 1 0 230.311 2.312 20 30 BEEDRO COc1cc(C[NH2+]CCC2CC2)ccc1C#N ZINC000234908154 384869399 /nfs/dbraw/zinc/86/93/99/384869399.db2.gz CWCVMOBVKLJOAE-UHFFFAOYSA-N 1 0 230.311 2.457 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000306387458 384909519 /nfs/dbraw/zinc/90/95/19/384909519.db2.gz UEPMEFUFSIXRBZ-RCWTZXSCSA-N 1 0 210.346 2.020 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000320316372 384927773 /nfs/dbraw/zinc/92/77/73/384927773.db2.gz WJIODDPGRYFTGS-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[N@@H+]1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000245200002 384937505 /nfs/dbraw/zinc/93/75/05/384937505.db2.gz GPJYEGPIWXHKEN-AVGNSLFASA-N 1 0 237.343 2.369 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000193552989 384974105 /nfs/dbraw/zinc/97/41/05/384974105.db2.gz OZEOQWKOVADPAM-CHWSQXEVSA-N 1 0 238.375 2.367 20 30 BEEDRO CCOC(=O)C[N@H+](CC)CCCC(C)(C)C#N ZINC000087607098 384979673 /nfs/dbraw/zinc/97/96/73/384979673.db2.gz JIEWWSBSMXHXEV-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)C(C)C ZINC000187849024 384988997 /nfs/dbraw/zinc/98/89/97/384988997.db2.gz GODRXDIIDDGWTI-UHFFFAOYSA-N 1 0 211.353 2.149 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)cc1OC ZINC000449702311 384993335 /nfs/dbraw/zinc/99/33/35/384993335.db2.gz YMBQUWQRQNILFC-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(C#N)cc1OC ZINC000179658479 385015620 /nfs/dbraw/zinc/01/56/20/385015620.db2.gz JMMSYKXSNQXRAP-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO C=CCCOCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000647132188 385017974 /nfs/dbraw/zinc/01/79/74/385017974.db2.gz ZPUULNVAXPCTTD-SNVBAGLBSA-N 1 0 239.319 2.208 20 30 BEEDRO C[NH2+][C@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000116942805 385051256 /nfs/dbraw/zinc/05/12/56/385051256.db2.gz UQUNMVJTCQHJIT-NSHDSACASA-N 1 0 235.718 2.010 20 30 BEEDRO CSCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308763507 385084088 /nfs/dbraw/zinc/08/40/88/385084088.db2.gz ZGOBOMRYVGWYKE-MNOVXSKESA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCCN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000157166158 385072147 /nfs/dbraw/zinc/07/21/47/385072147.db2.gz JHTMBHFRQXWCBF-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000644673470 385080180 /nfs/dbraw/zinc/08/01/80/385080180.db2.gz YSHZGIOXNPWKCC-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000424292671 385141661 /nfs/dbraw/zinc/14/16/61/385141661.db2.gz HDSCLNWEYGTANW-XUXIUFHCSA-N 1 0 221.344 2.356 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000334152255 385087405 /nfs/dbraw/zinc/08/74/05/385087405.db2.gz VOWBAASAXURCDW-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO CC[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000341004175 385102496 /nfs/dbraw/zinc/10/24/96/385102496.db2.gz AGTRADXGGDHHCA-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC1(O)CCOCC1 ZINC000449122889 385103564 /nfs/dbraw/zinc/10/35/64/385103564.db2.gz ASBPVYSHJQCGPI-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)(C)O)cc1C#N ZINC000599431410 385105578 /nfs/dbraw/zinc/10/55/78/385105578.db2.gz HWWZWZKIPLHDHK-GFCCVEGCSA-N 1 0 246.354 2.458 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC[NH+]2CCCC2)n1 ZINC000048322208 385184168 /nfs/dbraw/zinc/18/41/68/385184168.db2.gz SIVOEXUSMKYPIE-UHFFFAOYSA-N 1 0 244.342 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647306044 385199510 /nfs/dbraw/zinc/19/95/10/385199510.db2.gz SAMBAAQNMGHJPT-MNOVXSKESA-N 1 0 231.286 2.497 20 30 BEEDRO COc1cccnc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449750138 385147248 /nfs/dbraw/zinc/14/72/48/385147248.db2.gz SUTWGPGFYZOVST-VXGBXAGGSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCOC2)c1 ZINC000643802306 385149918 /nfs/dbraw/zinc/14/99/18/385149918.db2.gz IBINSRLEQVRZIX-CYBMUJFWSA-N 1 0 233.311 2.130 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000157427617 385166718 /nfs/dbraw/zinc/16/67/18/385166718.db2.gz WWAIXWLQRMKXDJ-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000644784662 385176595 /nfs/dbraw/zinc/17/65/95/385176595.db2.gz DQSBWGIKKDTCTG-TZMCWYRMSA-N 1 0 247.338 2.207 20 30 BEEDRO CC[C@@H](CSC)[NH2+]Cc1ccc(C#N)o1 ZINC000135521558 385179839 /nfs/dbraw/zinc/17/98/39/385179839.db2.gz BVSNAYKUSXDDAJ-VIFPVBQESA-N 1 0 224.329 2.382 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000157461290 385180861 /nfs/dbraw/zinc/18/08/61/385180861.db2.gz XASYBJVEYVZXIR-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C[NH+](C)CCSc1cccc(C#N)c1 ZINC000158684847 385215910 /nfs/dbraw/zinc/21/59/10/385215910.db2.gz CYWJXPFYVMSAPT-UHFFFAOYSA-N 1 0 206.314 2.212 20 30 BEEDRO Cc1cnc(CC[N@H+](C)CCCC#N)s1 ZINC000157612410 385227782 /nfs/dbraw/zinc/22/77/82/385227782.db2.gz YVJDCNQCQHCNRW-UHFFFAOYSA-N 1 0 223.345 2.230 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000336752696 385236202 /nfs/dbraw/zinc/23/62/02/385236202.db2.gz GJIUKWRLDNKJBN-GHMZBOCLSA-N 1 0 212.337 2.329 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000156788934 385240625 /nfs/dbraw/zinc/24/06/25/385240625.db2.gz AOSVZHDFGLLJPO-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C=C(C)COCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000163522724 385248651 /nfs/dbraw/zinc/24/86/51/385248651.db2.gz DWVZGSOPNWOLMF-CABCVRRESA-N 1 0 246.354 2.314 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000247260486 385308016 /nfs/dbraw/zinc/30/80/16/385308016.db2.gz VGOLDMMNNXXQPU-VXGBXAGGSA-N 1 0 235.352 2.269 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1=CCCOC1 ZINC000131197554 385315617 /nfs/dbraw/zinc/31/56/17/385315617.db2.gz PWPGLTVMYGEAQH-UHFFFAOYSA-N 1 0 242.322 2.337 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000307765149 385259877 /nfs/dbraw/zinc/25/98/77/385259877.db2.gz PDPCOKJKMRDAKM-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO CC[NH+](CC)Cc1cccc(NC(=O)CC#N)c1 ZINC000153556311 385264691 /nfs/dbraw/zinc/26/46/91/385264691.db2.gz ZYKFLNBENMTABM-UHFFFAOYSA-N 1 0 245.326 2.381 20 30 BEEDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1ccc(C#N)cc1 ZINC000395943122 385277244 /nfs/dbraw/zinc/27/72/44/385277244.db2.gz PRTQZEMGLQRWEK-GFCCVEGCSA-N 1 0 244.338 2.371 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000308912021 385288208 /nfs/dbraw/zinc/28/82/08/385288208.db2.gz DYSGFPIPRWTMIO-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cscn1 ZINC000280549736 385332272 /nfs/dbraw/zinc/33/22/72/385332272.db2.gz DQLLCAQHXJZROA-ZYHUDNBSSA-N 1 0 238.356 2.214 20 30 BEEDRO CC(C)(O)C[N@H+](Cc1ccccc1C#N)C1CC1 ZINC000189956610 385338058 /nfs/dbraw/zinc/33/80/58/385338058.db2.gz HBJZWELUDAXCHM-UHFFFAOYSA-N 1 0 244.338 2.294 20 30 BEEDRO C#CC[N@@H+](CC1(O)CCC(C)CC1)C1CC1 ZINC000491315589 385340646 /nfs/dbraw/zinc/34/06/46/385340646.db2.gz OGNSMSFRPKSZFM-UHFFFAOYSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000158159692 385357336 /nfs/dbraw/zinc/35/73/36/385357336.db2.gz RAWRGSAGUSIWQY-YPMHNXCESA-N 1 0 232.327 2.157 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000309012785 385361082 /nfs/dbraw/zinc/36/10/82/385361082.db2.gz SLKFGFAJXKESDX-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO C[C@@H](C[NH2+]CCC#N)c1ccc(F)cc1 ZINC000309025100 385366207 /nfs/dbraw/zinc/36/62/07/385366207.db2.gz ZKRDOYRSQOHNCD-JTQLQIEISA-N 1 0 206.264 2.432 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000309015407 385371291 /nfs/dbraw/zinc/37/12/91/385371291.db2.gz UGXSKBQGZSWGFX-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)CCCOC ZINC000180457774 385390709 /nfs/dbraw/zinc/39/07/09/385390709.db2.gz WOCMKLVVPPUSDR-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000309048501 385382235 /nfs/dbraw/zinc/38/22/35/385382235.db2.gz PPJKJCIYNMSAOR-GHMZBOCLSA-N 1 0 213.321 2.130 20 30 BEEDRO CCOCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309042487 385387034 /nfs/dbraw/zinc/38/70/34/385387034.db2.gz LYVOWZJRDPLPHF-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](CO)C1CC1 ZINC000309054994 385387275 /nfs/dbraw/zinc/38/72/75/385387275.db2.gz TYDKAOVHOZRMSC-QWHCGFSZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(CC)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000309105232 385424599 /nfs/dbraw/zinc/42/45/99/385424599.db2.gz HPQRKZZYYCPFBA-CHWSQXEVSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CCCOC1 ZINC000309113824 385422411 /nfs/dbraw/zinc/42/24/11/385422411.db2.gz KPWRPIMSVPZIAW-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@]1(C)CCCO1 ZINC000309117018 385422746 /nfs/dbraw/zinc/42/27/46/385422746.db2.gz LXVPJTPQKFKOPC-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911319 385454223 /nfs/dbraw/zinc/45/42/23/385454223.db2.gz GSKZAYCJRKKZRR-STQMWFEESA-N 1 0 247.317 2.162 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911133 385455242 /nfs/dbraw/zinc/45/52/42/385455242.db2.gz IBIYPVPQZWSYOH-OLZOCXBDSA-N 1 0 249.333 2.242 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@](C)(O)CC)c1 ZINC000170912711 385456955 /nfs/dbraw/zinc/45/69/55/385456955.db2.gz UZWPKUUMGPPLLE-CQSZACIVSA-N 1 0 249.358 2.137 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000182079427 385428582 /nfs/dbraw/zinc/42/85/82/385428582.db2.gz ZXCPVBYDRJJQAE-STQMWFEESA-N 1 0 241.375 2.372 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+]CCCC#N)CCO1 ZINC000309140100 385432824 /nfs/dbraw/zinc/43/28/24/385432824.db2.gz GWPQDOBNIQQANX-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@@H](C)C[N@H+](CCC#N)CC(C)(C)C ZINC000182184867 385433268 /nfs/dbraw/zinc/43/32/68/385433268.db2.gz KSSKQTDXADQWSF-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@H]([NH2+]CCCSCC#N)[C@@H]1CCCO1 ZINC000182247238 385436191 /nfs/dbraw/zinc/43/61/91/385436191.db2.gz MWWHRQABVXJSLC-RYUDHWBXSA-N 1 0 242.388 2.180 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnccn1 ZINC000309216829 385485314 /nfs/dbraw/zinc/48/53/14/385485314.db2.gz UNKYXJLAKXFSHO-MNOVXSKESA-N 1 0 205.305 2.482 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000309409870 385572440 /nfs/dbraw/zinc/57/24/40/385572440.db2.gz BOKDEYGBRSJKRQ-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000309407167 385572498 /nfs/dbraw/zinc/57/24/98/385572498.db2.gz BBBQRAPDIGHXQS-IJLUTSLNSA-N 1 0 224.348 2.329 20 30 BEEDRO N#CCCC[NH+]1CCC(C(F)F)CC1 ZINC000336675630 385596074 /nfs/dbraw/zinc/59/60/74/385596074.db2.gz UUJHOGWOQNAQRT-UHFFFAOYSA-N 1 0 202.248 2.267 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000308675211 385597491 /nfs/dbraw/zinc/59/74/91/385597491.db2.gz VYWUJYIUGKSFIQ-IUCAKERBSA-N 1 0 202.248 2.314 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000181466540 385578729 /nfs/dbraw/zinc/57/87/29/385578729.db2.gz SXSUJOGLTOAQGV-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000309440433 385582327 /nfs/dbraw/zinc/58/23/27/385582327.db2.gz IIGUNXVODTUXJA-SGMGOOAPSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000309440427 385583267 /nfs/dbraw/zinc/58/32/67/385583267.db2.gz IIGUNXVODTUXJA-DYEKYZERSA-N 1 0 222.376 2.413 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000309447884 385586343 /nfs/dbraw/zinc/58/63/43/385586343.db2.gz LTHYOTOZNDGOMC-YVECIDJPSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000309447879 385587159 /nfs/dbraw/zinc/58/71/59/385587159.db2.gz LTHYOTOZNDGOMC-FDYHWXHSSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)C[C@H]([NH3+])c1noc(CCCCC#N)n1 ZINC000593941943 385590447 /nfs/dbraw/zinc/59/04/47/385590447.db2.gz CQUFNVOLEVTEOH-JTQLQIEISA-N 1 0 236.319 2.352 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000309579030 259672987 /nfs/dbraw/zinc/67/29/87/259672987.db2.gz PSFQIBNSBZCRSP-WDNDVIMCSA-N 1 0 212.296 2.446 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H](CO)C2CCC2)CC1 ZINC000595056449 385618947 /nfs/dbraw/zinc/61/89/47/385618947.db2.gz HTJGAPGKWSJMGM-MOKVOYLWSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000595056147 385619332 /nfs/dbraw/zinc/61/93/32/385619332.db2.gz BKBQOAZYOHMYRH-XQQFMLRXSA-N 1 0 235.375 2.141 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCCC#N)C1(C)C ZINC000309578748 134461814 /nfs/dbraw/zinc/46/18/14/134461814.db2.gz PTEBAAMWRVLFDY-IJLUTSLNSA-N 1 0 224.348 2.329 20 30 BEEDRO CC[N@H+](CCNc1cnccc1C#N)C(C)C ZINC000357241486 385636567 /nfs/dbraw/zinc/63/65/67/385636567.db2.gz SYWDJUHFVLTWMN-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000309499417 385624081 /nfs/dbraw/zinc/62/40/81/385624081.db2.gz ZHRLPRXSERMYDV-AVGNSLFASA-N 1 0 227.348 2.125 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1=CCCOC1 ZINC000336651529 385628266 /nfs/dbraw/zinc/62/82/66/385628266.db2.gz FGUDFCHCVICGJV-UHFFFAOYSA-N 1 0 222.332 2.253 20 30 BEEDRO CCC(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724536 385629111 /nfs/dbraw/zinc/62/91/11/385629111.db2.gz PRBXONLMHQRSPP-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO CCC1(C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598724568 385629138 /nfs/dbraw/zinc/62/91/38/385629138.db2.gz KFGXKDFPSLPMFZ-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000595624748 385635499 /nfs/dbraw/zinc/63/54/99/385635499.db2.gz FQEGTCRDSDBSOT-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1coc2ccccc12 ZINC000336681252 385636234 /nfs/dbraw/zinc/63/62/34/385636234.db2.gz OQLZOVGWSKOZBA-NSHDSACASA-N 1 0 217.268 2.069 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCOCC1 ZINC000309545793 385678655 /nfs/dbraw/zinc/67/86/55/385678655.db2.gz IAJRRPPHJXZMCO-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CCC#C[C@@H](C)N(C)Cc1conc1CC ZINC000645227090 385691563 /nfs/dbraw/zinc/69/15/63/385691563.db2.gz IXKARIUWFRGKLM-LLVKDONJSA-N 1 0 220.316 2.471 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CCC(CCC)CC1 ZINC000336735201 385693281 /nfs/dbraw/zinc/69/32/81/385693281.db2.gz OATGNGQDPGALEQ-CPCZMJQVSA-N 1 0 211.349 2.482 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)c1ccn(C)n1 ZINC000309566824 385696623 /nfs/dbraw/zinc/69/66/23/385696623.db2.gz MKBQYZXWUBJLNB-LLVKDONJSA-N 1 0 220.320 2.155 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)cc1)OC ZINC000289907642 385703253 /nfs/dbraw/zinc/70/32/53/385703253.db2.gz UODYQHPCXZVCBS-CYBMUJFWSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000309586394 385711034 /nfs/dbraw/zinc/71/10/34/385711034.db2.gz RWHNVRGTNWTZOD-VXGBXAGGSA-N 1 0 223.316 2.423 20 30 BEEDRO C#C[C@H]([NH2+]C1CCOCC1)c1ccc(F)cc1 ZINC000491731241 385711205 /nfs/dbraw/zinc/71/12/05/385711205.db2.gz KMCRIZAKXRRJRX-AWEZNQCLSA-N 1 0 233.286 2.269 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000336654029 385718546 /nfs/dbraw/zinc/71/85/46/385718546.db2.gz JWSAICZUJCCLSZ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sc(C)nc1C ZINC000186712059 385785893 /nfs/dbraw/zinc/78/58/93/385785893.db2.gz VNGDLPLDALDFCN-MWLCHTKSSA-N 1 0 240.372 2.348 20 30 BEEDRO CC(C)OCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185790456 385740569 /nfs/dbraw/zinc/74/05/69/385740569.db2.gz WQIKKDGUZLMJNB-OLZOCXBDSA-N 1 0 224.348 2.473 20 30 BEEDRO CSC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336656691 385786259 /nfs/dbraw/zinc/78/62/59/385786259.db2.gz OSKGKRYHYVJYEY-ZJUUUORDSA-N 1 0 210.346 2.164 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309680598 385786298 /nfs/dbraw/zinc/78/62/98/385786298.db2.gz NBSREHHCNIHJMJ-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000186384300 385757145 /nfs/dbraw/zinc/75/71/45/385757145.db2.gz GROVSLKMCRAHCB-CHWSQXEVSA-N 1 0 209.333 2.193 20 30 BEEDRO CC#CC[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000186384358 385758288 /nfs/dbraw/zinc/75/82/88/385758288.db2.gz GROVSLKMCRAHCB-STQMWFEESA-N 1 0 209.333 2.193 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000186428493 385762395 /nfs/dbraw/zinc/76/23/95/385762395.db2.gz PZJOFTROCFQWBW-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@H](CCCCO)[NH2+]Cc1ccc(C#N)s1 ZINC000398356724 385763917 /nfs/dbraw/zinc/76/39/17/385763917.db2.gz BVKPBMMSUVHPIC-SNVBAGLBSA-N 1 0 238.356 2.260 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CCC(C)(C)CC1 ZINC000186702683 385780333 /nfs/dbraw/zinc/78/03/33/385780333.db2.gz QJTZSRXMGNXVEC-LBPRGKRZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccccc1OC ZINC000186695130 385780616 /nfs/dbraw/zinc/78/06/16/385780616.db2.gz PMTMPGIOIYDEKG-VXGBXAGGSA-N 1 0 235.327 2.283 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H](CO)C1CCCC1 ZINC000309667122 385784543 /nfs/dbraw/zinc/78/45/43/385784543.db2.gz IIGAGPPXMFFKER-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000186712044 385784718 /nfs/dbraw/zinc/78/47/18/385784718.db2.gz VNGDLPLDALDFCN-ONGXEEELSA-N 1 0 240.372 2.348 20 30 BEEDRO CSCCC[N@H+](C)CC(C)(C)C#N ZINC000336654024 385719349 /nfs/dbraw/zinc/71/93/49/385719349.db2.gz MXVXBHOOFHRWSZ-UHFFFAOYSA-N 1 0 200.351 2.221 20 30 BEEDRO C[NH+](C)C1(CNc2ccc(C#N)cc2F)CC1 ZINC000397929529 385723796 /nfs/dbraw/zinc/72/37/96/385723796.db2.gz LPVFQPOWYUQUCE-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO CC[C@@]1(C)COCC[N@@H+]1C[C@H](C)CCC#N ZINC000602614708 385809772 /nfs/dbraw/zinc/80/97/72/385809772.db2.gz GKTWHVGQLAGFNQ-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCOCC1CCC1 ZINC000602614952 385810083 /nfs/dbraw/zinc/81/00/83/385810083.db2.gz BROMWDPNYJJTCK-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@H]1C[NH+](CC2(C)CCC2)C[C@H](C)N1CC#N ZINC000602853771 385827007 /nfs/dbraw/zinc/82/70/07/385827007.db2.gz LLRYYLYBRXJEFL-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1C[NH+](CCCCCF)C[C@H](C)N1CC#N ZINC000602853859 385827017 /nfs/dbraw/zinc/82/70/17/385827017.db2.gz MJSCVXZYZNQWJD-STQMWFEESA-N 1 0 241.354 2.044 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000159235798 385837859 /nfs/dbraw/zinc/83/78/59/385837859.db2.gz FPQLACDCCSAXKB-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cc(C)nn1C ZINC000336656816 385791604 /nfs/dbraw/zinc/79/16/04/385791604.db2.gz MDMCEFPDOXWRLE-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO COC(C)(C)C[N@H+](C)C[C@@H](C)CCC#N ZINC000602483160 385797747 /nfs/dbraw/zinc/79/77/47/385797747.db2.gz HDHKNWRGPXYVDD-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1C ZINC000451563108 385902878 /nfs/dbraw/zinc/90/28/78/385902878.db2.gz JPRMXQKNIUGNAY-GOEBONIOSA-N 1 0 243.350 2.395 20 30 BEEDRO CN(C)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000618577472 385872866 /nfs/dbraw/zinc/87/28/66/385872866.db2.gz JRCZKQQYLCARAP-QWHCGFSZSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000087011892 385982469 /nfs/dbraw/zinc/98/24/69/385982469.db2.gz MXWZYJHNXCBFID-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000643254486 385987100 /nfs/dbraw/zinc/98/71/00/385987100.db2.gz CRBXSVQRAHDTGU-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1 ZINC000368909461 533153727 /nfs/dbraw/zinc/15/37/27/533153727.db2.gz IPPDNZPBVGEMDR-HUUCEWRRSA-N 1 0 229.323 2.208 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc(C)nc1 ZINC000336746416 385937414 /nfs/dbraw/zinc/93/74/14/385937414.db2.gz BKQQDIUSMNDEFA-GFCCVEGCSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)C1CC1 ZINC000414143985 385993250 /nfs/dbraw/zinc/99/32/50/385993250.db2.gz JFJXHCUTDRMZHR-JHJVBQTASA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[N@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000335052990 385952161 /nfs/dbraw/zinc/95/21/61/385952161.db2.gz KEIVBSXGTOYHEU-UHFFFAOYSA-N 1 0 229.323 2.476 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)CC1(C)C ZINC000295092932 385963711 /nfs/dbraw/zinc/96/37/11/385963711.db2.gz UBURABJZVGIXMV-CYBMUJFWSA-N 1 0 248.326 2.398 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CCCC[C@@H]1O ZINC000267107238 386023809 /nfs/dbraw/zinc/02/38/09/386023809.db2.gz QJDAJNGWOJJICU-UONOGXRCSA-N 1 0 248.326 2.182 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CC(OC(C)C)C1 ZINC000189580091 386032111 /nfs/dbraw/zinc/03/21/11/386032111.db2.gz URNKZLJYMDMRBL-VOMCLLRMSA-N 1 0 210.321 2.224 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000335077305 386047292 /nfs/dbraw/zinc/04/72/92/386047292.db2.gz MQSIHQPQBJYUKT-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000188031956 386049726 /nfs/dbraw/zinc/04/97/26/386049726.db2.gz FAOPMMNDASJEQV-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO COc1cc(C[NH2+]CCOC(C)C)ccc1C#N ZINC000234841588 386107222 /nfs/dbraw/zinc/10/72/22/386107222.db2.gz DRPBPBPDTRXMOE-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO COc1cc(C[NH2+][C@H](C)C2CC2)ccc1C#N ZINC000234948345 386118696 /nfs/dbraw/zinc/11/86/96/386118696.db2.gz GNSRAMUOCNVYEN-SNVBAGLBSA-N 1 0 230.311 2.455 20 30 BEEDRO C=CCC(C)(C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414648866 386064673 /nfs/dbraw/zinc/06/46/73/386064673.db2.gz SMMDAXYZUBCVKV-SECBINFHSA-N 1 0 223.320 2.074 20 30 BEEDRO CCn1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000414210432 386065104 /nfs/dbraw/zinc/06/51/04/386065104.db2.gz OKKSJOYUTYXNBO-NEPJUHHUSA-N 1 0 232.331 2.075 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)CC=C ZINC000336772638 386070452 /nfs/dbraw/zinc/07/04/52/386070452.db2.gz YFALTHDHQGAGIV-XQQFMLRXSA-N 1 0 211.349 2.361 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000320282720 386095812 /nfs/dbraw/zinc/09/58/12/386095812.db2.gz OUSNYCOGALDESL-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CCOc1cccc(CNC[C@@H]([NH3+])C2CC2)c1 ZINC000414888550 386097610 /nfs/dbraw/zinc/09/76/10/386097610.db2.gz FGQVBJJTRZTTMA-OAHLLOKOSA-N 1 0 246.354 2.078 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000425473853 386146610 /nfs/dbraw/zinc/14/66/10/386146610.db2.gz IWOFQNAAOKWTHD-ZDUSSCGKSA-N 1 0 210.365 2.225 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414351717 386155428 /nfs/dbraw/zinc/15/54/28/386155428.db2.gz SBRFHDMWRRNOOA-DDHJBXDOSA-N 1 0 216.284 2.417 20 30 BEEDRO COC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000086500342 386159761 /nfs/dbraw/zinc/15/97/61/386159761.db2.gz ZKVPKPGQHYCCSR-GFCCVEGCSA-N 1 0 238.356 2.380 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](OC)C1CC1 ZINC000425490461 386169192 /nfs/dbraw/zinc/16/91/92/386169192.db2.gz YXHNVCXZKUOPIU-QWHCGFSZSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415986829 386174392 /nfs/dbraw/zinc/17/43/92/386174392.db2.gz VUYZTZLYTMCTIN-SNVBAGLBSA-N 1 0 233.315 2.102 20 30 BEEDRO CS[C@H](CO)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000164629149 386175498 /nfs/dbraw/zinc/17/54/98/386175498.db2.gz JCGNPJHZHKGHMN-GHMZBOCLSA-N 1 0 244.404 2.018 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1csc(C)n1 ZINC000320300706 386191070 /nfs/dbraw/zinc/19/10/70/386191070.db2.gz BKQWHIOVCAXXOA-ONGXEEELSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500779 386181460 /nfs/dbraw/zinc/18/14/60/386181460.db2.gz MMNQLCMKSVZGLV-JKSUJKDBSA-N 1 0 242.366 2.379 20 30 BEEDRO CC[NH+](CC)CCC(=O)Nc1ccc(C#N)cc1 ZINC000019846691 386126297 /nfs/dbraw/zinc/12/62/97/386126297.db2.gz YRBLLAOYMRRCJR-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO C[C@H](CCC[NH3+])Nc1nccc(C#N)c1Cl ZINC000309313765 386127777 /nfs/dbraw/zinc/12/77/77/386127777.db2.gz MYEFZZMFOPMRMS-MRVPVSSYSA-N 1 0 238.722 2.146 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cnn1C ZINC000274627642 386131455 /nfs/dbraw/zinc/13/14/55/386131455.db2.gz NZVFUFNHCPRZCG-DLOVCJGASA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCCC[NH2+][C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000190009715 386140927 /nfs/dbraw/zinc/14/09/27/386140927.db2.gz QPFGHNSFHHQROL-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000339009430 386206789 /nfs/dbraw/zinc/20/67/89/386206789.db2.gz CZHLCQNJQVFUAO-JSGCOSHPSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CCOc1cccc(CN2CCC[C@H]2C[NH3+])c1 ZINC000347031150 386222380 /nfs/dbraw/zinc/22/23/80/386222380.db2.gz YEIFPMBQJCRBRG-AWEZNQCLSA-N 1 0 246.354 2.175 20 30 BEEDRO CC(C)[C@H]1CN(CCC(C)(C)C#N)CC[N@@H+]1C ZINC000347124140 386237038 /nfs/dbraw/zinc/23/70/38/386237038.db2.gz JCRZDTPJFQWANP-CYBMUJFWSA-N 1 0 237.391 2.198 20 30 BEEDRO C=CCN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416208160 386242406 /nfs/dbraw/zinc/24/24/06/386242406.db2.gz FTQMZJIPXNYXLI-AWEZNQCLSA-N 1 0 246.354 2.324 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000347082848 386242787 /nfs/dbraw/zinc/24/27/87/386242787.db2.gz KPHBEVAHBDNVGG-YPMHNXCESA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C#N)cc1 ZINC000226261968 386243072 /nfs/dbraw/zinc/24/30/72/386243072.db2.gz UWROLDCFWPDYFB-ZLKJLUDKSA-N 1 0 230.311 2.122 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(CC)nc2)CC1 ZINC000414390002 386252627 /nfs/dbraw/zinc/25/26/27/386252627.db2.gz UXMXZGYDBCRHBK-UHFFFAOYSA-N 1 0 231.343 2.437 20 30 BEEDRO CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000034674477 386288350 /nfs/dbraw/zinc/28/83/50/386288350.db2.gz LQBQIOXTLHEDKW-CQSZACIVSA-N 1 0 232.327 2.322 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cncc(C)c1 ZINC000451679479 386304170 /nfs/dbraw/zinc/30/41/70/386304170.db2.gz HJRBJZHKROYALC-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO CC(C)(C)C[N@H+](CCC#N)CC1(C)COC1 ZINC000336673616 386305286 /nfs/dbraw/zinc/30/52/86/386305286.db2.gz KZTALSNIAJOGCL-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CCN(CCC#N)CC[NH+]1CCCCCC1 ZINC000347301844 386305226 /nfs/dbraw/zinc/30/52/26/386305226.db2.gz FTDBFTMWJCJQRZ-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO CC#CCN(CC)CC[NH+]1CCCCCC1 ZINC000347268831 386310451 /nfs/dbraw/zinc/31/04/51/386310451.db2.gz GKWBLDGDQQYMPM-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cncs1 ZINC000320322165 386318354 /nfs/dbraw/zinc/31/83/54/386318354.db2.gz WSLMRYNTTYTAAV-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1c(F)cccc1F ZINC000320303400 386262253 /nfs/dbraw/zinc/26/22/53/386262253.db2.gz TVBBRPFEQHBAMD-JTQLQIEISA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1nc2ccccc2o1 ZINC000639238401 386349190 /nfs/dbraw/zinc/34/91/90/386349190.db2.gz LLONOFXKLNHEGK-NSHDSACASA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccncc1 ZINC000320333489 386352342 /nfs/dbraw/zinc/35/23/42/386352342.db2.gz ZCYZEKJYWKSCRD-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnccc1C ZINC000280576603 386364639 /nfs/dbraw/zinc/36/46/39/386364639.db2.gz HDFNUDZXOPEKMA-UKRRQHHQSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000280632687 386367609 /nfs/dbraw/zinc/36/76/09/386367609.db2.gz MIJXOUIDKIHQGV-FZMZJTMJSA-N 1 0 246.310 2.222 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)C(C)C)cc1 ZINC000092392152 386369560 /nfs/dbraw/zinc/36/95/60/386369560.db2.gz MJNQXTDCSOHDBV-HNNXBMFYSA-N 1 0 249.354 2.358 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000280677211 386370722 /nfs/dbraw/zinc/37/07/22/386370722.db2.gz GKJUPVXWWKLWOH-CYBMUJFWSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC=C(C)C1 ZINC000280800619 386373638 /nfs/dbraw/zinc/37/36/38/386373638.db2.gz KQLOYQDTKOEPBE-AWEZNQCLSA-N 1 0 248.370 2.228 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC[C@H]1CCCCO1 ZINC000347394579 386382676 /nfs/dbraw/zinc/38/26/76/386382676.db2.gz PRWUNSCNZSAEIG-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccc(F)c1N ZINC000639240040 386384367 /nfs/dbraw/zinc/38/43/67/386384367.db2.gz QJWCNSNPRLKFGU-UHFFFAOYSA-N 1 0 208.280 2.464 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1nccnc1C ZINC000188235590 386329577 /nfs/dbraw/zinc/32/95/77/386329577.db2.gz XBDQBJNLHBMGCG-GFCCVEGCSA-N 1 0 235.331 2.028 20 30 BEEDRO C=C[C@H]1CCCCN1C[C@H]([NH3+])CC(C)C ZINC000414757856 386405250 /nfs/dbraw/zinc/40/52/50/386405250.db2.gz LWLUXHYNQADEFE-OLZOCXBDSA-N 1 0 210.365 2.400 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399117678 386414921 /nfs/dbraw/zinc/41/49/21/386414921.db2.gz GOPHBYVMUSGWIB-WFASDCNBSA-N 1 0 244.338 2.410 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ncc(CC)s1 ZINC000320422883 386418224 /nfs/dbraw/zinc/41/82/24/386418224.db2.gz SWVGBLBYQXHWJB-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399151638 386424338 /nfs/dbraw/zinc/42/43/38/386424338.db2.gz ZKLPZYAHTBFHBI-AWEZNQCLSA-N 1 0 244.338 2.410 20 30 BEEDRO CCN(CCc1nccs1)CC1(C#N)CC1 ZINC000347499218 386425573 /nfs/dbraw/zinc/42/55/73/386425573.db2.gz ZKOXDRIJMIXQLS-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417908115 386427218 /nfs/dbraw/zinc/42/72/18/386427218.db2.gz AZVFUSHHQMTAMY-LBPRGKRZSA-N 1 0 246.354 2.443 20 30 BEEDRO C=C(CC)C[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000097208018 386434884 /nfs/dbraw/zinc/43/48/84/386434884.db2.gz DWGIVGWVVHPLRM-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335425495 386477128 /nfs/dbraw/zinc/47/71/28/386477128.db2.gz XQGCMGGZXCVAJU-NEPJUHHUSA-N 1 0 222.332 2.037 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417335488 386503700 /nfs/dbraw/zinc/50/37/00/386503700.db2.gz IKRBLAHZTOQAEB-WOPDTQHZSA-N 1 0 204.317 2.458 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC23CC3)C1 ZINC000417335480 386504735 /nfs/dbraw/zinc/50/47/35/386504735.db2.gz IKRBLAHZTOQAEB-GRYCIOLGSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@H+](CC)CC(C)C ZINC000046064555 386510317 /nfs/dbraw/zinc/51/03/17/386510317.db2.gz FCSJMRWDMIDHTL-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO COCC1(C#N)CC[NH+](Cc2ccoc2C)CC1 ZINC000414448267 386512674 /nfs/dbraw/zinc/51/26/74/386512674.db2.gz MUHMERVEWOIOCL-UHFFFAOYSA-N 1 0 248.326 2.340 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000187679425 386580869 /nfs/dbraw/zinc/58/08/69/386580869.db2.gz BKOBCEKVFBNACS-AVGNSLFASA-N 1 0 223.360 2.480 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000424832630 386588641 /nfs/dbraw/zinc/58/86/41/386588641.db2.gz RXSARFPADDGVCR-GFCCVEGCSA-N 1 0 240.391 2.434 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000290236959 386591838 /nfs/dbraw/zinc/59/18/38/386591838.db2.gz UHWZFGMIIAOFMC-CYBMUJFWSA-N 1 0 229.327 2.034 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOCC1CCC1 ZINC000519757577 386546690 /nfs/dbraw/zinc/54/66/90/386546690.db2.gz IFMVMTSGEBCXDP-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000415069400 386552771 /nfs/dbraw/zinc/55/27/71/386552771.db2.gz SLSSGTDNMLNUKO-WCQYABFASA-N 1 0 210.365 2.448 20 30 BEEDRO CC[C@@]1(CO)CCC[N@H+](CCCCC#N)C1 ZINC000187594302 386568456 /nfs/dbraw/zinc/56/84/56/386568456.db2.gz BQFWXTXLLWQFKW-CYBMUJFWSA-N 1 0 224.348 2.165 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328767712 386619133 /nfs/dbraw/zinc/61/91/33/386619133.db2.gz PXRFYCCLXPIKEK-IJLUTSLNSA-N 1 0 247.342 2.310 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnc(CC)s1 ZINC000320569247 386620014 /nfs/dbraw/zinc/62/00/14/386620014.db2.gz VMGCRIREMHDMKV-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1F ZINC000188457698 386623545 /nfs/dbraw/zinc/62/35/45/386623545.db2.gz CDHUATKEWJTPHF-AAEUAGOBSA-N 1 0 237.318 2.283 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425554435 386626848 /nfs/dbraw/zinc/62/68/48/386626848.db2.gz WCVHBSAGIIXHBG-NEPJUHHUSA-N 1 0 234.347 2.339 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000185710889 386630262 /nfs/dbraw/zinc/63/02/62/386630262.db2.gz QIKNTSCQQHRWOM-GXTWGEPZSA-N 1 0 247.386 2.285 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000119867417 386644251 /nfs/dbraw/zinc/64/42/51/386644251.db2.gz PLKCWTNSSCCYAE-CYBMUJFWSA-N 1 0 200.285 2.242 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000049773361 386668386 /nfs/dbraw/zinc/66/83/86/386668386.db2.gz JXCKZMBJAAGCJS-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(CC)nc1 ZINC000414475534 386657334 /nfs/dbraw/zinc/65/73/34/386657334.db2.gz XYPDUWNUEHJBIT-UHFFFAOYSA-N 1 0 205.305 2.095 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)c1ccccc1 ZINC000050198051 386685066 /nfs/dbraw/zinc/68/50/66/386685066.db2.gz LEOHCAXPWIOHLS-TZMCWYRMSA-N 1 0 246.354 2.418 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000185809160 386692778 /nfs/dbraw/zinc/69/27/78/386692778.db2.gz JJZDXSXJMICJDL-VMZHVLLKSA-N 1 0 236.340 2.036 20 30 BEEDRO CCC[C@H]([NH2+]CCOCCC#N)C1CCC1 ZINC000324936991 386700746 /nfs/dbraw/zinc/70/07/46/386700746.db2.gz WKAMDTLMOPZZSO-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[C@H](COC)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192884079 386737950 /nfs/dbraw/zinc/73/79/50/386737950.db2.gz HALUPLAVQAVOQM-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CCCN(CC#N)CCC1(OC)CCC1 ZINC000336664121 386755270 /nfs/dbraw/zinc/75/52/70/386755270.db2.gz XDMQSPWDRMGRFS-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CCN2CCC2)cc1 ZINC000344842643 386758666 /nfs/dbraw/zinc/75/86/66/386758666.db2.gz DRYFVGZIVAALQC-UHFFFAOYSA-N 1 0 246.354 2.047 20 30 BEEDRO N#Cc1cccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000442860668 386780075 /nfs/dbraw/zinc/78/00/75/386780075.db2.gz CJYJMTQAZDEOAP-CABCVRRESA-N 1 0 239.322 2.383 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000417979511 386785208 /nfs/dbraw/zinc/78/52/08/386785208.db2.gz JCPCMNMIVAPKJT-NEPJUHHUSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334773404 386824284 /nfs/dbraw/zinc/82/42/84/386824284.db2.gz SKNRRIACCLENSI-NWDGAFQWSA-N 1 0 238.375 2.140 20 30 BEEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000336670138 386809429 /nfs/dbraw/zinc/80/94/29/386809429.db2.gz AAGVLCUMDOYMQO-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(F)cc1 ZINC000336670767 386814109 /nfs/dbraw/zinc/81/41/09/386814109.db2.gz IBZCCZLBUVRPPK-GFCCVEGCSA-N 1 0 223.291 2.100 20 30 BEEDRO C=CC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000334749298 386814946 /nfs/dbraw/zinc/81/49/46/386814946.db2.gz AHRMGLKJRGSOQB-RYUDHWBXSA-N 1 0 207.317 2.206 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425340307 386843085 /nfs/dbraw/zinc/84/30/85/386843085.db2.gz DUWCDCVWRWJUNE-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C#CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104715912 386855168 /nfs/dbraw/zinc/85/51/68/386855168.db2.gz MFBBWGBSANMSKZ-UHFFFAOYSA-N 1 0 240.306 2.035 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000052039485 386872775 /nfs/dbraw/zinc/87/27/75/386872775.db2.gz REJPHDNNYKYDFT-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO CC#CCC[NH+]1CCC2(CCOCC2)CC1 ZINC000334864303 386920091 /nfs/dbraw/zinc/92/00/91/386920091.db2.gz FLERKIVCHIZZPR-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000334849523 386899404 /nfs/dbraw/zinc/89/94/04/386899404.db2.gz TWKXARGYUOCMGD-SNVBAGLBSA-N 1 0 245.326 2.028 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)CCO1 ZINC000582176155 386937802 /nfs/dbraw/zinc/93/78/02/386937802.db2.gz FDTYFAIWDPUSFK-MJBXVCDLSA-N 1 0 249.358 2.223 20 30 BEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC1(C#N)CCC1 ZINC000334823451 386953815 /nfs/dbraw/zinc/95/38/15/386953815.db2.gz FCSSPKNMZRNGBB-KBPBESRZSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000161726734 386967762 /nfs/dbraw/zinc/96/77/62/386967762.db2.gz ATHNNJNDMFCVBS-YPMHNXCESA-N 1 0 244.342 2.062 20 30 BEEDRO CCN(CC)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192595407 386996875 /nfs/dbraw/zinc/99/68/75/386996875.db2.gz ZSQSCUSAHTXPDS-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000341945512 387000624 /nfs/dbraw/zinc/00/06/24/387000624.db2.gz OWYOSBXOKPTTOC-GXTWGEPZSA-N 1 0 246.354 2.370 20 30 BEEDRO CS[C@H]1CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000425380897 387031997 /nfs/dbraw/zinc/03/19/97/387031997.db2.gz LWYHXWBXOXULPQ-UWVGGRQHSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCCn1cncn1 ZINC000648446332 387036531 /nfs/dbraw/zinc/03/65/31/387036531.db2.gz BZMMBONQBUWLKK-CYBMUJFWSA-N 1 0 236.363 2.393 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000399021662 387042590 /nfs/dbraw/zinc/04/25/90/387042590.db2.gz FITOMLDVJDPEKH-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnnn1CC ZINC000417961896 387018732 /nfs/dbraw/zinc/01/87/32/387018732.db2.gz IZGIRDGZDXNMAM-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO CN1CCC[C@H]1C[N@H+](C)CC(C)(C)CCC#N ZINC000421413198 387073929 /nfs/dbraw/zinc/07/39/29/387073929.db2.gz VYVIQSHJWTZDHF-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO COC1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172492046 974838943 /nfs/dbraw/zinc/83/89/43/974838943.db2.gz IVMMGJCVDSREIJ-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000228795483 387113761 /nfs/dbraw/zinc/11/37/61/387113761.db2.gz VFHQMBDQRXXMML-WCQYABFASA-N 1 0 244.342 2.156 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CCC1 ZINC000418143976 387166562 /nfs/dbraw/zinc/16/65/62/387166562.db2.gz RQEULOXFONBNIV-VXGBXAGGSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCCCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000571819394 387178139 /nfs/dbraw/zinc/17/81/39/387178139.db2.gz YJCVOHLKKPUKSQ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000321449408 387193821 /nfs/dbraw/zinc/19/38/21/387193821.db2.gz NTIQEMFCYDUPAK-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO CC[C@H](CC#N)NCCC[NH+]1CCCCC1 ZINC000571940807 387208082 /nfs/dbraw/zinc/20/80/82/387208082.db2.gz SEMVFCKVZVYYFI-CYBMUJFWSA-N 1 0 223.364 2.144 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000571970927 387212220 /nfs/dbraw/zinc/21/22/20/387212220.db2.gz WVLPBSKIRUEMGK-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187828272 387215718 /nfs/dbraw/zinc/21/57/18/387215718.db2.gz RCMDGFLEFWIZFJ-ASHKBJFXSA-N 1 0 231.405 2.286 20 30 BEEDRO C[C@H](NCCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000571993339 387217227 /nfs/dbraw/zinc/21/72/27/387217227.db2.gz HAHFKWLLMNGFIC-GXTWGEPZSA-N 1 0 231.343 2.181 20 30 BEEDRO C[C@@H]1C[C@H](C[NH+]2CCC(F)(C#N)CC2)CCO1 ZINC000352485574 387248989 /nfs/dbraw/zinc/24/89/89/387248989.db2.gz ZWGLSMUGOYVXRJ-VXGBXAGGSA-N 1 0 240.322 2.129 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193325037 387199737 /nfs/dbraw/zinc/19/97/37/387199737.db2.gz GXERJBMLXGWPAZ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000320349322 387260366 /nfs/dbraw/zinc/26/03/66/387260366.db2.gz CGJUAYQQGZKSJS-UMSGYPCISA-N 1 0 209.333 2.092 20 30 BEEDRO CC[NH2+][C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000423381112 387262778 /nfs/dbraw/zinc/26/27/78/387262778.db2.gz HRMUCKDIYNFWDJ-PNESKVBLSA-N 1 0 223.364 2.046 20 30 BEEDRO C=C(C)CC[NH2+][C@H](c1nncn1C)C(C)C ZINC000285525234 387269947 /nfs/dbraw/zinc/26/99/47/387269947.db2.gz ZNWZQLTXFDHJBR-NSHDSACASA-N 1 0 222.336 2.068 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000643499286 387280288 /nfs/dbraw/zinc/28/02/88/387280288.db2.gz WBDMLZQJTKKTBE-ZJUUUORDSA-N 1 0 218.300 2.011 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[NH2+]C(C)C ZINC000514735987 387282815 /nfs/dbraw/zinc/28/28/15/387282815.db2.gz HKLDDDGHXDSFPR-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CCCC[N@H+](CCOC)Cc1cc(C#N)n(C)c1 ZINC000191350480 387383992 /nfs/dbraw/zinc/38/39/92/387383992.db2.gz LEFJHJMXHWQELQ-UHFFFAOYSA-N 1 0 249.358 2.145 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCCN1)C1CC1 ZINC000643502194 387357012 /nfs/dbraw/zinc/35/70/12/387357012.db2.gz ZNZWNVAPTZSMCP-KGLIPLIRSA-N 1 0 222.376 2.463 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000611382030 387324716 /nfs/dbraw/zinc/32/47/16/387324716.db2.gz FRWMGGARIFVFEH-FZMZJTMJSA-N 1 0 230.311 2.146 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CN)C2CCCC2)C1 ZINC000423503975 387342823 /nfs/dbraw/zinc/34/28/23/387342823.db2.gz NGFJVHHNRQIVRN-BNOWGMLFSA-N 1 0 235.375 2.176 20 30 BEEDRO N#CCCNC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000572357154 387344167 /nfs/dbraw/zinc/34/41/67/387344167.db2.gz FVEHELOWVOBEIG-AWEZNQCLSA-N 1 0 235.375 2.287 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000162565664 387425201 /nfs/dbraw/zinc/42/52/01/387425201.db2.gz TWNDBWPNYMHGIL-LBPRGKRZSA-N 1 0 233.311 2.205 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@@H]1O ZINC000352661763 387425476 /nfs/dbraw/zinc/42/54/76/387425476.db2.gz UZAMJOYHQSAXBO-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000270008668 387425656 /nfs/dbraw/zinc/42/56/56/387425656.db2.gz XOIKDIGCKNKPAP-INIZCTEOSA-N 1 0 243.350 2.283 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(C)o1 ZINC000270635326 387433275 /nfs/dbraw/zinc/43/32/75/387433275.db2.gz QXZDPBRZILIPIY-UHFFFAOYSA-N 1 0 221.300 2.060 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCNC1CC1 ZINC000643506325 387457433 /nfs/dbraw/zinc/45/74/33/387457433.db2.gz RZTFEVBNAJHAML-LBPRGKRZSA-N 1 0 210.365 2.463 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)OC)[nH]1 ZINC000272761698 387457902 /nfs/dbraw/zinc/45/79/02/387457902.db2.gz QJFPPQFMOIJWRC-UHFFFAOYSA-N 1 0 236.315 2.199 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000191378271 387387812 /nfs/dbraw/zinc/38/78/12/387387812.db2.gz CTBMCHCWESTEBH-ZDUSSCGKSA-N 1 0 249.383 2.224 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C#N)c(C)c1 ZINC000347337613 387388394 /nfs/dbraw/zinc/38/83/94/387388394.db2.gz MCUDHPIIUMGITN-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO C#CCN(CC)Cc1cc(F)cc(C(C)=O)c1O ZINC000267425715 387410137 /nfs/dbraw/zinc/41/01/37/387410137.db2.gz ATBLSAZBJGGOHX-UHFFFAOYSA-N 1 0 249.285 2.189 20 30 BEEDRO C#CCN(CC)Cc1cccc(Cl)n1 ZINC000267312948 387410554 /nfs/dbraw/zinc/41/05/54/387410554.db2.gz MWKRSTYPYXDZJG-UHFFFAOYSA-N 1 0 208.692 2.190 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2c(c1)CCO2 ZINC000267342784 387410839 /nfs/dbraw/zinc/41/08/39/387410839.db2.gz SQIHZPOZKMZXCM-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO C#CC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000268036548 387414029 /nfs/dbraw/zinc/41/40/29/387414029.db2.gz OAPHXXUNQWPQDQ-LBPRGKRZSA-N 1 0 203.260 2.248 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000083641008 387418666 /nfs/dbraw/zinc/41/86/66/387418666.db2.gz FPWJXCZDVQRCAU-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H]1CCN(C)C1 ZINC000042545637 387494010 /nfs/dbraw/zinc/49/40/10/387494010.db2.gz VTUBQCGMLVEULJ-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO COC1(C[N@H+](C)C[C@H](C)C#N)CCCCC1 ZINC000361567191 387497080 /nfs/dbraw/zinc/49/70/80/387497080.db2.gz STGQVSAMCZASOD-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO COC1(C[N@H+](C)C[C@@H](C)C#N)CCCCC1 ZINC000361567192 387497299 /nfs/dbraw/zinc/49/72/99/387497299.db2.gz STGQVSAMCZASOD-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[NH+](C)CCNc1ccc(Cl)cc1C#N ZINC000052856691 387498670 /nfs/dbraw/zinc/49/86/70/387498670.db2.gz VOGGHIRSLBJFKT-UHFFFAOYSA-N 1 0 223.707 2.185 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000293213237 387513117 /nfs/dbraw/zinc/51/31/17/387513117.db2.gz YHZLDVOEOBGIIU-AWEZNQCLSA-N 1 0 230.311 2.073 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000293213244 387514047 /nfs/dbraw/zinc/51/40/47/387514047.db2.gz YHZLDVOEOBGIIU-CQSZACIVSA-N 1 0 230.311 2.073 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1F)C[C@@H]1CCOC1 ZINC000352865560 387514736 /nfs/dbraw/zinc/51/47/36/387514736.db2.gz BNWYLITUTVOPDB-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648084785 387532698 /nfs/dbraw/zinc/53/26/98/387532698.db2.gz ZQBLWMJVBQPVAK-KWQFWETISA-N 1 0 238.718 2.031 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000425924958 387533900 /nfs/dbraw/zinc/53/39/00/387533900.db2.gz UQLOZYYJZLYQEJ-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO COCCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192780576 387534576 /nfs/dbraw/zinc/53/45/76/387534576.db2.gz PDQIPGKAKCQPPK-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000168596491 387537941 /nfs/dbraw/zinc/53/79/41/387537941.db2.gz JPZLYPQRJVVRNN-RYUDHWBXSA-N 1 0 231.343 2.159 20 30 BEEDRO Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1C ZINC000424078828 387479775 /nfs/dbraw/zinc/47/97/75/387479775.db2.gz QHPUWQGOPWYHSW-CYBMUJFWSA-N 1 0 245.326 2.263 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375464484 387542264 /nfs/dbraw/zinc/54/22/64/387542264.db2.gz JJHFKEZOOORYPV-LLVKDONJSA-N 1 0 233.315 2.312 20 30 BEEDRO Cc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)c(C)c1 ZINC000424080026 387480904 /nfs/dbraw/zinc/48/09/04/387480904.db2.gz SADSNOOTHAENSL-LBPRGKRZSA-N 1 0 245.326 2.263 20 30 BEEDRO C=CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424081278 387483111 /nfs/dbraw/zinc/48/31/11/387483111.db2.gz VAJRGMKIDDQUOP-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@@H]1O ZINC000270220040 387590686 /nfs/dbraw/zinc/59/06/86/387590686.db2.gz YZVLNFAABWWRRS-GJZGRUSLSA-N 1 0 244.338 2.151 20 30 BEEDRO CC1=C[C@H](C)CN(C[C@H](C#N)CCC#N)C1 ZINC000430267119 387602162 /nfs/dbraw/zinc/60/21/62/387602162.db2.gz JBECMHRGIWFHHN-AAEUAGOBSA-N 1 0 217.316 2.328 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430291883 387609021 /nfs/dbraw/zinc/60/90/21/387609021.db2.gz VXYLPFDPJVBXNB-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)OC ZINC000353083939 387620723 /nfs/dbraw/zinc/62/07/23/387620723.db2.gz SLEOCOOVEVENOI-CQSZACIVSA-N 1 0 232.327 2.381 20 30 BEEDRO C=CC[C@H]1[N@H+](Cc2cnnn2C)CCCC1(C)C ZINC000278659371 387546196 /nfs/dbraw/zinc/54/61/96/387546196.db2.gz KOBDLFZJAURIPC-CYBMUJFWSA-N 1 0 248.374 2.382 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)cc1 ZINC000278949084 387559813 /nfs/dbraw/zinc/55/98/13/387559813.db2.gz MVTWIDBGLCUOJL-GFCCVEGCSA-N 1 0 239.322 2.252 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC000328002762 387634325 /nfs/dbraw/zinc/63/43/25/387634325.db2.gz OHBQIRMLVAJAKV-CYBMUJFWSA-N 1 0 222.376 2.110 20 30 BEEDRO Cc1cc(CC[NH2+]Cc2ccc(C#N)cc2)on1 ZINC000353092908 387635403 /nfs/dbraw/zinc/63/54/03/387635403.db2.gz FUYXVYAYMIWRGN-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC ZINC000430718430 387643469 /nfs/dbraw/zinc/64/34/69/387643469.db2.gz COVVYEQMWCEOGB-RWMBFGLXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC1(CC(=O)OC)CC1 ZINC000440715766 387681438 /nfs/dbraw/zinc/68/14/38/387681438.db2.gz QZMGPCPSXXGAAD-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000452040552 387708983 /nfs/dbraw/zinc/70/89/83/387708983.db2.gz QPRCQUZMAITXLC-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000452087418 387731422 /nfs/dbraw/zinc/73/14/22/387731422.db2.gz YJQSCSJROJBOQI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431954584 387741347 /nfs/dbraw/zinc/74/13/47/387741347.db2.gz YVXYNENNJDVIOU-UONOGXRCSA-N 1 0 249.358 2.114 20 30 BEEDRO CC[C@H](O)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353267192 387769033 /nfs/dbraw/zinc/76/90/33/387769033.db2.gz PEHXUBRQLWWYOE-DZGCQCFKSA-N 1 0 244.338 2.296 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353268677 387770698 /nfs/dbraw/zinc/77/06/98/387770698.db2.gz RRFRZFXHEUKXDF-HIFRSBDPSA-N 1 0 244.338 2.296 20 30 BEEDRO COC[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353249441 387772826 /nfs/dbraw/zinc/77/28/26/387772826.db2.gz DAESOBQSMOKPKE-HZMBPMFUSA-N 1 0 230.311 2.170 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccnc1 ZINC000424147687 387780848 /nfs/dbraw/zinc/78/08/48/387780848.db2.gz YRDMRYVOMCEBBM-UBHSHLNASA-N 1 0 232.327 2.323 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192854566 387783056 /nfs/dbraw/zinc/78/30/56/387783056.db2.gz LNEKSWZJJNWXNT-IACUBPJLSA-N 1 0 238.375 2.455 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000194033094 387813781 /nfs/dbraw/zinc/81/37/81/387813781.db2.gz LWAMVSYPQMYYEM-NXEZZACHSA-N 1 0 232.274 2.288 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000527925557 387791620 /nfs/dbraw/zinc/79/16/20/387791620.db2.gz MLPHJCNWLLQZPM-NSHDSACASA-N 1 0 238.375 2.236 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)OCC ZINC000527933696 387796047 /nfs/dbraw/zinc/79/60/47/387796047.db2.gz RUCNVCIHBZJMKQ-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000052396195 387804273 /nfs/dbraw/zinc/80/42/73/387804273.db2.gz ZVRVRBKWGXAQTP-RISCZKNCSA-N 1 0 214.312 2.293 20 30 BEEDRO C[C@@H](N[C@@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999863 387804221 /nfs/dbraw/zinc/80/42/21/387804221.db2.gz TWGLVWKSSWQFGE-DOMZBBRYSA-N 1 0 243.354 2.229 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)NC)Cc1ccccc1 ZINC000564035653 387804347 /nfs/dbraw/zinc/80/43/47/387804347.db2.gz WZYYEPBUXSMHLV-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO Cc1cc(C)n(CCC[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000442632563 387809808 /nfs/dbraw/zinc/80/98/08/387809808.db2.gz DNPLUWMIVDWDDJ-UONOGXRCSA-N 1 0 246.358 2.172 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000353209624 387759027 /nfs/dbraw/zinc/75/90/27/387759027.db2.gz ZRSKCWVGRYHUPB-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353677925 387826287 /nfs/dbraw/zinc/82/62/87/387826287.db2.gz MGXBVRPJFYJGRS-ZETOZRRWSA-N 1 0 244.338 2.295 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC000442707121 387826630 /nfs/dbraw/zinc/82/66/30/387826630.db2.gz FXSJXLDDYSTJEC-KWCYVHTRSA-N 1 0 242.322 2.272 20 30 BEEDRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442709967 387826781 /nfs/dbraw/zinc/82/67/81/387826781.db2.gz BMPZJHOQZIZQFE-ZNMIVQPWSA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442714872 387829442 /nfs/dbraw/zinc/82/94/42/387829442.db2.gz LVIWWDGXTQISRS-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(C#N)s1 ZINC000295136244 387834771 /nfs/dbraw/zinc/83/47/71/387834771.db2.gz YWYANGJRNVHVLI-VIFPVBQESA-N 1 0 238.356 2.259 20 30 BEEDRO C=CC[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000645845607 387836776 /nfs/dbraw/zinc/83/67/76/387836776.db2.gz XXCXHIYFJNGDJI-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442782954 387839853 /nfs/dbraw/zinc/83/98/53/387839853.db2.gz PEPPMYLQEMKHJI-CBBWQLFWSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCCCCCN(CCO)CC(F)F ZINC000194859972 387840202 /nfs/dbraw/zinc/84/02/02/387840202.db2.gz VGKQUYOKSKTIBV-UHFFFAOYSA-N 1 0 221.291 2.292 20 30 BEEDRO CC1(C)C[C@H](O)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000295188876 387840456 /nfs/dbraw/zinc/84/04/56/387840456.db2.gz IPCWLARUXHVUEP-LLVKDONJSA-N 1 0 248.326 2.134 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000442796892 387841156 /nfs/dbraw/zinc/84/11/56/387841156.db2.gz WJEUMWRKAVNEBZ-ZWNOBZJWSA-N 1 0 248.301 2.100 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000442788542 387841375 /nfs/dbraw/zinc/84/13/75/387841375.db2.gz CCLCIEDHCKUBJK-XBFCOCLRSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CCCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423027035 387842756 /nfs/dbraw/zinc/84/27/56/387842756.db2.gz CRZKSWRWQYHBAM-QWHCGFSZSA-N 1 0 215.300 2.025 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000442807621 387845354 /nfs/dbraw/zinc/84/53/54/387845354.db2.gz FICDPPGVHXOWKI-OUCADQQQSA-N 1 0 238.375 2.140 20 30 BEEDRO Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442834437 387847545 /nfs/dbraw/zinc/84/75/45/387847545.db2.gz DGMSHPDKGMKRCG-CHWSQXEVSA-N 1 0 244.342 2.084 20 30 BEEDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[C@H](C#N)C2)CCO1 ZINC000442843378 387849636 /nfs/dbraw/zinc/84/96/36/387849636.db2.gz SKZCDPJLEUQIMF-MQYQWHSLSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000424166194 387852349 /nfs/dbraw/zinc/85/23/49/387852349.db2.gz BWDBXEYZWBIVKJ-GJZGRUSLSA-N 1 0 242.322 2.239 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCCO1 ZINC000442869233 387853888 /nfs/dbraw/zinc/85/38/88/387853888.db2.gz SHGSGHZIENENQF-GFJIZPEISA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000442878836 387854902 /nfs/dbraw/zinc/85/49/02/387854902.db2.gz VEELECCOEPFBAU-GFJIZPEISA-N 1 0 236.359 2.331 20 30 BEEDRO CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442876530 387854965 /nfs/dbraw/zinc/85/49/65/387854965.db2.gz PPTKHTGHRURBTA-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC(C)(C)C[C@@H]2C)nn1 ZINC000424169112 387859955 /nfs/dbraw/zinc/85/99/55/387859955.db2.gz HGVQSIJYASYXEP-WCQYABFASA-N 1 0 248.374 2.378 20 30 BEEDRO C#CC[N@H+](C)CCCNc1nc2ccccc2o1 ZINC000328074227 387865017 /nfs/dbraw/zinc/86/50/17/387865017.db2.gz FFGQEYGUXXYNRD-UHFFFAOYSA-N 1 0 243.310 2.195 20 30 BEEDRO N#CCCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194022764 387871128 /nfs/dbraw/zinc/87/11/28/387871128.db2.gz JMBMMPSEKQHMJI-FRRDWIJNSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194102509 387815254 /nfs/dbraw/zinc/81/52/54/387815254.db2.gz KSONQBUXLRIFCJ-UMSGYPCISA-N 1 0 221.344 2.498 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000236539651 387895615 /nfs/dbraw/zinc/89/56/15/387895615.db2.gz PNRJXTJHHMMDEX-BFHYXJOUSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)CCNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000452717821 387896574 /nfs/dbraw/zinc/89/65/74/387896574.db2.gz NJHMLUUPXVXGNM-LBPRGKRZSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538731 387878357 /nfs/dbraw/zinc/87/83/57/387878357.db2.gz TZLVDHBJAJXSJJ-AGIUHOORSA-N 1 0 228.355 2.411 20 30 BEEDRO C=CCn1cc(C[NH2+]C2CCC(C)CC2)nn1 ZINC000424176253 387884336 /nfs/dbraw/zinc/88/43/36/387884336.db2.gz XAHVQOQOCAXLIW-UHFFFAOYSA-N 1 0 234.347 2.132 20 30 BEEDRO N#CCC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423096445 387884516 /nfs/dbraw/zinc/88/45/16/387884516.db2.gz OVOCAJXHSBGBFB-KGLIPLIRSA-N 1 0 241.338 2.415 20 30 BEEDRO N#CCC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423096444 387886081 /nfs/dbraw/zinc/88/60/81/387886081.db2.gz OVOCAJXHSBGBFB-KBPBESRZSA-N 1 0 241.338 2.415 20 30 BEEDRO C=CCOc1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000423097770 387887527 /nfs/dbraw/zinc/88/75/27/387887527.db2.gz BJHINNLQKLYNPJ-HUUCEWRRSA-N 1 0 246.354 2.221 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)o1 ZINC000424177623 387887640 /nfs/dbraw/zinc/88/76/40/387887640.db2.gz UUNMKUNAZZOALT-AAEUAGOBSA-N 1 0 221.300 2.269 20 30 BEEDRO C[C@H](Nc1ccc(C#N)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000050164062 387903549 /nfs/dbraw/zinc/90/35/49/387903549.db2.gz JDZWBXQUDUYWNL-CMPLNLGQSA-N 1 0 247.317 2.497 20 30 BEEDRO C[C@H]([NH2+]C1CCOCC1)c1ccc(C#N)cc1 ZINC000036319410 387907936 /nfs/dbraw/zinc/90/79/36/387907936.db2.gz LWDFUJJURIWSJF-NSHDSACASA-N 1 0 230.311 2.388 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000452775105 387913685 /nfs/dbraw/zinc/91/36/85/387913685.db2.gz NNHJGZPNSLLNRB-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1CO ZINC000444710710 387915129 /nfs/dbraw/zinc/91/51/29/387915129.db2.gz VSMYKKYAZPDWMC-OLZOCXBDSA-N 1 0 238.375 2.267 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000444750178 387919711 /nfs/dbraw/zinc/91/97/11/387919711.db2.gz YSZWKHBVTZCVCM-KBPBESRZSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[C@H]1[N@H+](CCC(=O)NC)CCCC1(C)C ZINC000444791184 387931932 /nfs/dbraw/zinc/93/19/32/387931932.db2.gz MLGAYKBJIZPNIH-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1[N@H+](CC(=O)NCC)CCCC1(C)C ZINC000444785416 387932000 /nfs/dbraw/zinc/93/20/00/387932000.db2.gz YCFMXMJYSYPYNL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444770943 387926518 /nfs/dbraw/zinc/92/65/18/387926518.db2.gz MSCSLZMQUISOOZ-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000438347198 387926854 /nfs/dbraw/zinc/92/68/54/387926854.db2.gz NOFBVEBODBHPLD-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[N@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000444773442 387927618 /nfs/dbraw/zinc/92/76/18/387927618.db2.gz DJOOFNAFFMZMNW-CYBMUJFWSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccoc1C ZINC000321180545 387956667 /nfs/dbraw/zinc/95/66/67/387956667.db2.gz DSCSXDXLLRBLQE-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CCCC)COC ZINC000424293793 387955297 /nfs/dbraw/zinc/95/52/97/387955297.db2.gz JJBHYOXGCJPUFE-MJBXVCDLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)nn1 ZINC000424296317 387956090 /nfs/dbraw/zinc/95/60/90/387956090.db2.gz ODHPFMNXWXLBKJ-IMRBUKKESA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000321064568 387942019 /nfs/dbraw/zinc/94/20/19/387942019.db2.gz YSUFKAKRLSOGTI-OCCSQVGLSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C1CCCC1 ZINC000321096681 387947098 /nfs/dbraw/zinc/94/70/98/387947098.db2.gz LHBTVSNTJHGKFX-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO CCOCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612166775 387948790 /nfs/dbraw/zinc/94/87/90/387948790.db2.gz WVVQVQIBGLBKCX-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1C ZINC000321181370 387956434 /nfs/dbraw/zinc/95/64/34/387956434.db2.gz ZOERMLOHLDOXSD-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC1(C)C ZINC000424297684 387958537 /nfs/dbraw/zinc/95/85/37/387958537.db2.gz RASSYQUPGGMIBZ-SDDRHHMPSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccccn1 ZINC000424297936 387958649 /nfs/dbraw/zinc/95/86/49/387958649.db2.gz RNOZWOPUGCJKLR-OBJOEFQTSA-N 1 0 232.327 2.323 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C)CCCC)nn1 ZINC000424298653 387959390 /nfs/dbraw/zinc/95/93/90/387959390.db2.gz SVRBOAZVHGYXRX-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC23CCCC3)nn1 ZINC000424300258 387960346 /nfs/dbraw/zinc/96/03/46/387960346.db2.gz XGEVSWHQBOUNKE-CYBMUJFWSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](CC)C2CCC2)nn1 ZINC000424300616 387961038 /nfs/dbraw/zinc/96/10/38/387961038.db2.gz YBNBVVGNOQDVRL-ZDUSSCGKSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424306023 387962111 /nfs/dbraw/zinc/96/21/11/387962111.db2.gz UESWKSVCICOSHF-LBELIVKGSA-N 1 0 209.333 2.354 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000424312106 387965380 /nfs/dbraw/zinc/96/53/80/387965380.db2.gz VZQYJVLQTYNNOA-NEPJUHHUSA-N 1 0 247.404 2.002 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)CC[C@@H](C)O ZINC000438972663 387968827 /nfs/dbraw/zinc/96/88/27/387968827.db2.gz ALDWAQXJHAXAIN-CQSZACIVSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCn1cc(C[NH2+]C2[C@@H](C)CCC[C@@H]2C)nn1 ZINC000424296319 387956897 /nfs/dbraw/zinc/95/68/97/387956897.db2.gz ODHPFMNXWXLBKJ-RYUDHWBXSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245542113 387957055 /nfs/dbraw/zinc/95/70/55/387957055.db2.gz JTIDHKFURZMGJE-FRRDWIJNSA-N 1 0 238.375 2.282 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000106868176 387973606 /nfs/dbraw/zinc/97/36/06/387973606.db2.gz DAJGZXYFAFPRBE-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424331250 387977490 /nfs/dbraw/zinc/97/74/90/387977490.db2.gz RVWJEMSMSXPMRL-NTZNESFSSA-N 1 0 232.331 2.246 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CCCNC1)C1CC1 ZINC000423192940 387977753 /nfs/dbraw/zinc/97/77/53/387977753.db2.gz QIODBAYCVPYMDL-STQMWFEESA-N 1 0 208.349 2.073 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CCCCC#N)C12CCC2 ZINC000453112057 387987560 /nfs/dbraw/zinc/98/75/60/387987560.db2.gz SOJDKJBLHGYONJ-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCCCC[N@@H+]1CCc2ncsc2C1 ZINC000446070041 387991852 /nfs/dbraw/zinc/99/18/52/387991852.db2.gz JDBNFGMJBNFFRE-UHFFFAOYSA-N 1 0 221.329 2.195 20 30 BEEDRO C=CCCC[C@H](C)[N@H+](C)CC1(CO)CC1 ZINC000446068766 387992443 /nfs/dbraw/zinc/99/24/43/387992443.db2.gz SOWRDZGCHBTXDJ-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(C)cn1 ZINC001645453451 1172669643 /nfs/dbraw/zinc/66/96/43/1172669643.db2.gz LSBCTUIWPGZJRK-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO C=CCC[C@@H](NCCC[NH2+]C)c1ccco1 ZINC000423200940 387987161 /nfs/dbraw/zinc/98/71/61/387987161.db2.gz NNFUKXNJXOVICP-GFCCVEGCSA-N 1 0 222.332 2.486 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453150069 387998364 /nfs/dbraw/zinc/99/83/64/387998364.db2.gz UCDLSMZYXSNBKQ-NWDGAFQWSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)c1ccncc1 ZINC000453160835 387999612 /nfs/dbraw/zinc/99/96/12/387999612.db2.gz IBSPJTWDGXBHIL-JSGCOSHPSA-N 1 0 234.343 2.307 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1ccncc1C ZINC000645890359 388007851 /nfs/dbraw/zinc/00/78/51/388007851.db2.gz WOZBMZNBIUBIJP-UHFFFAOYSA-N 1 0 234.343 2.067 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C12CCC2 ZINC000453205975 388009719 /nfs/dbraw/zinc/00/97/19/388009719.db2.gz DNQWREQVCBMBFZ-NWDGAFQWSA-N 1 0 234.343 2.227 20 30 BEEDRO COC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)C ZINC000453289114 388035674 /nfs/dbraw/zinc/03/56/74/388035674.db2.gz HYUHHAHBMXEUPS-RWMBFGLXSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1(O)CC(OCC)C1 ZINC000446830247 388040317 /nfs/dbraw/zinc/04/03/17/388040317.db2.gz QBESZQIWSMBZQM-IYXRBSQSSA-N 1 0 241.375 2.251 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000446820723 388040762 /nfs/dbraw/zinc/04/07/62/388040762.db2.gz GZHIYXWYKGRCJL-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000453315542 388043597 /nfs/dbraw/zinc/04/35/97/388043597.db2.gz JFSNAXIKHONWHD-LLVKDONJSA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccnc(OC)n1)C1CC1 ZINC000453256540 388028260 /nfs/dbraw/zinc/02/82/60/388028260.db2.gz UFLYQCUNMOUVPC-ZDUSSCGKSA-N 1 0 247.342 2.320 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](N)c2ccccc2)C1 ZINC000423248426 388031626 /nfs/dbraw/zinc/03/16/26/388031626.db2.gz RTVZPVKQHIOONB-BPLDGKMQSA-N 1 0 243.354 2.358 20 30 BEEDRO C=C(C)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000083406106 388050954 /nfs/dbraw/zinc/05/09/54/388050954.db2.gz ADQFPZFPFFZGGX-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1C(=O)OCC ZINC000160193321 388052177 /nfs/dbraw/zinc/05/21/77/388052177.db2.gz GCPULXXOQTVFPH-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cnccc1C ZINC000453341835 388052377 /nfs/dbraw/zinc/05/23/77/388052377.db2.gz DAFZCXBIFWHVEE-BNOWGMLFSA-N 1 0 232.327 2.384 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CC)c1nccn1C ZINC000453350324 388055818 /nfs/dbraw/zinc/05/58/18/388055818.db2.gz HWJNOODVKZJKRT-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccncc1F ZINC000453379825 388064432 /nfs/dbraw/zinc/06/44/32/388064432.db2.gz ZNDBXYNEPIRSRC-WQAKAFBOSA-N 1 0 236.290 2.215 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447536399 388076632 /nfs/dbraw/zinc/07/66/32/388076632.db2.gz MZNGMLXOKHKUKX-MELADBBJSA-N 1 0 237.391 2.389 20 30 BEEDRO C=C(CC)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000536894107 388080900 /nfs/dbraw/zinc/08/09/00/388080900.db2.gz SAIPQYPYOFFGIU-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000536891495 388081638 /nfs/dbraw/zinc/08/16/38/388081638.db2.gz HAYCQBXSEQCJHY-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)nc1 ZINC000453434547 388082487 /nfs/dbraw/zinc/08/24/87/388082487.db2.gz UHQSQOHWHLZQID-OCCSQVGLSA-N 1 0 229.327 2.214 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000042338050 388086804 /nfs/dbraw/zinc/08/68/04/388086804.db2.gz HJYKVWWASNKAPS-LLVKDONJSA-N 1 0 218.300 2.025 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C#N)cc1 ZINC000226261961 388099824 /nfs/dbraw/zinc/09/98/24/388099824.db2.gz UWROLDCFWPDYFB-LERXQTSPSA-N 1 0 230.311 2.122 20 30 BEEDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1cccc(C#N)c1 ZINC000038006393 388108494 /nfs/dbraw/zinc/10/84/94/388108494.db2.gz LFRHWIQPYOSBOD-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000453320154 388045514 /nfs/dbraw/zinc/04/55/14/388045514.db2.gz OJJJDWLOBYHLAT-GFCCVEGCSA-N 1 0 207.321 2.427 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449205030 388157139 /nfs/dbraw/zinc/15/71/39/388157139.db2.gz NPBFCBWAGBCHQM-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C[C@@H](O)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449233460 388159997 /nfs/dbraw/zinc/15/99/97/388159997.db2.gz LRCNJEUZUXDOAM-ZFDZMSFRSA-N 1 0 224.348 2.208 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449268493 388164623 /nfs/dbraw/zinc/16/46/23/388164623.db2.gz HJAHGXHLFUMDES-ZSVAQUKISA-N 1 0 224.348 2.472 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000449297591 388169078 /nfs/dbraw/zinc/16/90/78/388169078.db2.gz DKKCAHQPXLFNJR-QNSTZXKLSA-N 1 0 239.359 2.123 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(=O)NCCF ZINC000449307662 388170297 /nfs/dbraw/zinc/17/02/97/388170297.db2.gz QOZWNDQHQQJOAS-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000456114892 388179612 /nfs/dbraw/zinc/17/96/12/388179612.db2.gz JSYRCLRZGYVYOS-TXEJJXNPSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456172513 388183148 /nfs/dbraw/zinc/18/31/48/388183148.db2.gz PWIBNFYLLMIESF-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CCOCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449067955 388138441 /nfs/dbraw/zinc/13/84/41/388138441.db2.gz PKDOOILVLLSYLN-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCCNC1=O ZINC000449079147 388139932 /nfs/dbraw/zinc/13/99/32/388139932.db2.gz XHGCWIUVUONCND-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO CC[C@](C)(O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078124 388140089 /nfs/dbraw/zinc/14/00/89/388140089.db2.gz ZWOAPHLDNQKVKK-BPCQOVAHSA-N 1 0 224.348 2.209 20 30 BEEDRO CN(C)[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449092431 388141152 /nfs/dbraw/zinc/14/11/52/388141152.db2.gz SMCLNZLCSADFKA-SLTAFYQDSA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@H](CCO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449161555 388151335 /nfs/dbraw/zinc/15/13/35/388151335.db2.gz PHKHGZMXONBJEN-PNESKVBLSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](O)C(F)F ZINC000449168244 388151627 /nfs/dbraw/zinc/15/16/27/388151627.db2.gz CWURCEMVHOLDHO-ZJUUUORDSA-N 1 0 221.291 2.337 20 30 BEEDRO COC(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449178410 388153063 /nfs/dbraw/zinc/15/30/63/388153063.db2.gz USXBRRVMBRWGGB-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO COCC#CC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000646139538 388153301 /nfs/dbraw/zinc/15/33/01/388153301.db2.gz XPQDKWTVQSFAFF-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccccc1 ZINC000194673082 388258525 /nfs/dbraw/zinc/25/85/25/388258525.db2.gz IEWXACPZXLNHSI-OCCSQVGLSA-N 1 0 219.328 2.317 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445258 388207669 /nfs/dbraw/zinc/20/76/69/388207669.db2.gz HEQGXZAXHIORQJ-BJDJZHNGSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446216 388208172 /nfs/dbraw/zinc/20/81/72/388208172.db2.gz OXFFFQYKYFDXOK-PWNZVWSESA-N 1 0 247.386 2.141 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCOC[C@@H]1OC ZINC000449462600 388212204 /nfs/dbraw/zinc/21/22/04/388212204.db2.gz UMAWBUNLKGGDBG-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000489433717 388214022 /nfs/dbraw/zinc/21/40/22/388214022.db2.gz KUSFXLRTNPVYNP-AWEZNQCLSA-N 1 0 244.338 2.326 20 30 BEEDRO C=C(C)CC[NH2+]CCC(C)(C)C(=O)OC ZINC000449479508 388215293 /nfs/dbraw/zinc/21/52/93/388215293.db2.gz VGIQAQBQVXSVOX-UHFFFAOYSA-N 1 0 213.321 2.132 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H]1CC1(C)C ZINC000489483819 388216905 /nfs/dbraw/zinc/21/69/05/388216905.db2.gz WGUPAXYNHWSUSE-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1cccnc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449491409 388217627 /nfs/dbraw/zinc/21/76/27/388217627.db2.gz GSPNKORTLYCUJE-OLZOCXBDSA-N 1 0 229.327 2.214 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000517926864 256553862 /nfs/dbraw/zinc/55/38/62/256553862.db2.gz VEJIPWCCDOOHIP-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H]1CC1(C)C ZINC000489483818 388217794 /nfs/dbraw/zinc/21/77/94/388217794.db2.gz WGUPAXYNHWSUSE-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCOCC(F)F ZINC000489496103 388218344 /nfs/dbraw/zinc/21/83/44/388218344.db2.gz XOQWADIUWAQIOG-SNVBAGLBSA-N 1 0 219.275 2.309 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1C=C ZINC000489504449 388219992 /nfs/dbraw/zinc/21/99/92/388219992.db2.gz ADISUNNSDDGXFN-STQMWFEESA-N 1 0 209.333 2.354 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037196337 388220269 /nfs/dbraw/zinc/22/02/69/388220269.db2.gz USEWUJSXLXQVIY-QWRGUYRKSA-N 1 0 218.300 2.244 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(C)c1 ZINC000449516871 388222104 /nfs/dbraw/zinc/22/21/04/388222104.db2.gz CXGXFACCCBOCPO-NEPJUHHUSA-N 1 0 223.341 2.490 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)ccc1OC ZINC000449519064 388222590 /nfs/dbraw/zinc/22/25/90/388222590.db2.gz LCBDZUAWGAKCGS-KGLIPLIRSA-N 1 0 247.338 2.437 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000449518202 388222856 /nfs/dbraw/zinc/22/28/56/388222856.db2.gz IQKGCQMIGRMIIJ-RTXFEEFZSA-N 1 0 241.400 2.451 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC000449521865 388223488 /nfs/dbraw/zinc/22/34/88/388223488.db2.gz SVXVSENDKLUCEH-KGLIPLIRSA-N 1 0 217.312 2.428 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000449523779 388224489 /nfs/dbraw/zinc/22/44/89/388224489.db2.gz YMGOPEKQXRHCIT-XQQFMLRXSA-N 1 0 237.343 2.021 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449546898 388228705 /nfs/dbraw/zinc/22/87/05/388228705.db2.gz FFGUDFVZHNFWIJ-RQJABVFESA-N 1 0 234.343 2.392 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000449548831 388229457 /nfs/dbraw/zinc/22/94/57/388229457.db2.gz REMYGLBRPUXXQZ-OLZOCXBDSA-N 1 0 236.290 2.044 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CSC[C@@H]1C ZINC000449549433 388229692 /nfs/dbraw/zinc/22/96/92/388229692.db2.gz XXNKKYSRVBPKCM-QCNOEVLYSA-N 1 0 227.373 2.061 20 30 BEEDRO C=CCCCCC[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000490089975 388234556 /nfs/dbraw/zinc/23/45/56/388234556.db2.gz GWQWTMJQMVHAGQ-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449583772 388235816 /nfs/dbraw/zinc/23/58/16/388235816.db2.gz ITCZMQSLMBAZNX-NEPJUHHUSA-N 1 0 221.348 2.295 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000037215335 388237888 /nfs/dbraw/zinc/23/78/88/388237888.db2.gz NOXOMBXNGUGPBN-FZMZJTMJSA-N 1 0 230.311 2.388 20 30 BEEDRO CCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)COC1 ZINC000449596709 388238177 /nfs/dbraw/zinc/23/81/77/388238177.db2.gz CFKIDLXZXBRSSO-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459446407 388244495 /nfs/dbraw/zinc/24/44/95/388244495.db2.gz FKVIGHRDZVIRIX-UHFFFAOYSA-N 1 0 247.342 2.036 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000449626161 388245578 /nfs/dbraw/zinc/24/55/78/388245578.db2.gz DCTWJKVYRRGRIT-UNJBNNCHSA-N 1 0 236.359 2.472 20 30 BEEDRO C#CC[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000490694749 388248028 /nfs/dbraw/zinc/24/80/28/388248028.db2.gz BATFAPJSHVYQSL-UHFFFAOYSA-N 1 0 243.350 2.220 20 30 BEEDRO CC#CCC[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451542640 388280963 /nfs/dbraw/zinc/28/09/63/388280963.db2.gz NWBBZWRMTAAEMI-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000451555225 388281459 /nfs/dbraw/zinc/28/14/59/388281459.db2.gz HPLKKAJHDOMDLZ-RWMBFGLXSA-N 1 0 236.359 2.426 20 30 BEEDRO CO[C@H]1CC[N@H+](CCC(C)(C)C#N)C[C@H]1C ZINC000451556015 388281675 /nfs/dbraw/zinc/28/16/75/388281675.db2.gz CKYGWVFWKRETPT-NEPJUHHUSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451572075 388282603 /nfs/dbraw/zinc/28/26/03/388282603.db2.gz XCALRXHWCODAQZ-CHWSQXEVSA-N 1 0 241.375 2.060 20 30 BEEDRO CC(C)[C@@H](CO)[C@@H]([NH2+]CC1(C#N)CC1)C(C)C ZINC000451604760 388283392 /nfs/dbraw/zinc/28/33/92/388283392.db2.gz YYOBIYPWPRIWLS-OLZOCXBDSA-N 1 0 238.375 2.169 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000451603514 388283593 /nfs/dbraw/zinc/28/35/93/388283593.db2.gz DEOXGDQEGZAQKG-NEPJUHHUSA-N 1 0 222.332 2.249 20 30 BEEDRO C#CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000491297109 388283669 /nfs/dbraw/zinc/28/36/69/388283669.db2.gz OSIDPHCXNRFHPQ-UHFFFAOYSA-N 1 0 241.334 2.184 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(F)cc(OC)c1 ZINC000491298748 388283869 /nfs/dbraw/zinc/28/38/69/388283869.db2.gz XFNCVYQLMFOBPJ-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN(C)c1ccccc1 ZINC000451607290 388283989 /nfs/dbraw/zinc/28/39/89/388283989.db2.gz PFAZDZHPFFDFOI-CABCVRRESA-N 1 0 246.354 2.056 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000491327668 388285965 /nfs/dbraw/zinc/28/59/65/388285965.db2.gz XMMWVQKFBPOJST-ZDUSSCGKSA-N 1 0 242.322 2.281 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H]1CCC(C)(C)O1 ZINC000491337644 388285994 /nfs/dbraw/zinc/28/59/94/388285994.db2.gz BPYLMVKNZBFMAI-LLVKDONJSA-N 1 0 209.333 2.288 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C=CCCC1 ZINC000451677267 388289468 /nfs/dbraw/zinc/28/94/68/388289468.db2.gz UKYJSXDUXQKWEJ-UPJWGTAASA-N 1 0 207.317 2.418 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)c1ccncc1 ZINC000491438964 388294986 /nfs/dbraw/zinc/29/49/86/388294986.db2.gz HELIBCHQLGUMGK-OAHLLOKOSA-N 1 0 245.370 2.077 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)C(C)C ZINC000491484208 388298091 /nfs/dbraw/zinc/29/80/91/388298091.db2.gz HXKHOYYRXDUERN-CABCVRRESA-N 1 0 249.329 2.415 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)C(C)C ZINC000491484212 388298111 /nfs/dbraw/zinc/29/81/11/388298111.db2.gz HXKHOYYRXDUERN-LSDHHAIUSA-N 1 0 249.329 2.415 20 30 BEEDRO CC#CCC[N@@H+]1CCOCC12CCCCC2 ZINC000451818316 388298204 /nfs/dbraw/zinc/29/82/04/388298204.db2.gz WRVKOTOWXDYWIP-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CC[NH2+][C@@H]1CCCN(C)c2ccccc21 ZINC000491537076 388301745 /nfs/dbraw/zinc/30/17/45/388301745.db2.gz OCEVYEWNJZHFSO-CYBMUJFWSA-N 1 0 214.312 2.181 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000491535709 388301991 /nfs/dbraw/zinc/30/19/91/388301991.db2.gz FBQWPTBYRXDYCT-JTQLQIEISA-N 1 0 218.256 2.048 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](C#C)CC)cc1 ZINC000491536408 388301998 /nfs/dbraw/zinc/30/19/98/388301998.db2.gz JMJYFJJXCXVTQQ-AWEZNQCLSA-N 1 0 227.307 2.200 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C(C)(C)C(=C)C ZINC000491545999 388303016 /nfs/dbraw/zinc/30/30/16/388303016.db2.gz TVVKOGXGBDKBMO-ZDUSSCGKSA-N 1 0 249.354 2.230 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(CC)nn(C)c1CC ZINC000491554291 388303499 /nfs/dbraw/zinc/30/34/99/388303499.db2.gz HYYXIHKCQIDLRJ-LLVKDONJSA-N 1 0 233.359 2.046 20 30 BEEDRO C#CC[N@@H+](CCCCCC(=O)OCC)C1CC1 ZINC000491616656 388304951 /nfs/dbraw/zinc/30/49/51/388304951.db2.gz ACPOBQYTVXIDKN-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000491621865 388305445 /nfs/dbraw/zinc/30/54/45/388305445.db2.gz GZFUISUACPHJOT-LSDHHAIUSA-N 1 0 234.387 2.110 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000491621859 388305474 /nfs/dbraw/zinc/30/54/74/388305474.db2.gz GZFUISUACPHJOT-GJZGRUSLSA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000491620916 388305527 /nfs/dbraw/zinc/30/55/27/388305527.db2.gz HPJMWKFXQGVBOW-ZUWCUPBKSA-N 1 0 221.344 2.191 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC1CC(F)(F)C1 ZINC000491626606 388305808 /nfs/dbraw/zinc/30/58/08/388305808.db2.gz SXFYEHXWGSMRSW-UHFFFAOYSA-N 1 0 201.260 2.375 20 30 BEEDRO C#CCN[NH+]=Cc1ccc(N2CCCCC2)s1 ZINC000491637874 388307264 /nfs/dbraw/zinc/30/72/64/388307264.db2.gz XEJRQDVNUDRTIB-UHFFFAOYSA-N 1 0 247.367 2.295 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCC1CCOCC1 ZINC000491657383 388308686 /nfs/dbraw/zinc/30/86/86/388308686.db2.gz FZFULDVFFXPIKJ-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000491679630 388310521 /nfs/dbraw/zinc/31/05/21/388310521.db2.gz GEEBLOQEJUFSDR-NSHDSACASA-N 1 0 248.301 2.108 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOc1ccccc1C(C)=O ZINC000491691388 388311293 /nfs/dbraw/zinc/31/12/93/388311293.db2.gz DXLVIZIZSLOIQX-GFCCVEGCSA-N 1 0 245.322 2.222 20 30 BEEDRO C#CC(C)(C)N(C)CCC[NH+](CC)CC ZINC000491700502 388312698 /nfs/dbraw/zinc/31/26/98/388312698.db2.gz VMMLQKUJTHTLQP-UHFFFAOYSA-N 1 0 210.365 2.062 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000491702285 388312880 /nfs/dbraw/zinc/31/28/80/388312880.db2.gz RABVOVOKLHTGEZ-JTQLQIEISA-N 1 0 232.283 2.357 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)C(C)C ZINC000491749340 388317681 /nfs/dbraw/zinc/31/76/81/388317681.db2.gz QNEVQQKEBGHFLL-GFCCVEGCSA-N 1 0 233.359 2.455 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)CCC(C)C ZINC000491771500 388319389 /nfs/dbraw/zinc/31/93/89/388319389.db2.gz RSERBGJNPXLTOP-LBPRGKRZSA-N 1 0 211.349 2.127 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(N(C)CC)nc1)C(C)C ZINC000491777996 388320125 /nfs/dbraw/zinc/32/01/25/388320125.db2.gz HJFJXQLXSGVYDJ-CQSZACIVSA-N 1 0 245.370 2.285 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)cc(OC)nc1C ZINC000491778304 388320186 /nfs/dbraw/zinc/32/01/86/388320186.db2.gz GCJJPFFUMISGMO-LBPRGKRZSA-N 1 0 232.327 2.208 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCCCn1cccn1 ZINC000491811345 388322716 /nfs/dbraw/zinc/32/27/16/388322716.db2.gz CCUKHSMXQUTGLI-ZDUSSCGKSA-N 1 0 219.332 2.007 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491818051 388323552 /nfs/dbraw/zinc/32/35/52/388323552.db2.gz WUQCDMHGGOXNEU-TZMCWYRMSA-N 1 0 242.322 2.479 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000490947654 388261423 /nfs/dbraw/zinc/26/14/23/388261423.db2.gz ADWRJEOFBFMAJS-NSHDSACASA-N 1 0 249.276 2.178 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CC[C@H](C)C2)CC1 ZINC000490950392 388261741 /nfs/dbraw/zinc/26/17/41/388261741.db2.gz QFUIOFWYKQPNEA-JSGCOSHPSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CC1(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451346887 388264109 /nfs/dbraw/zinc/26/41/09/388264109.db2.gz SNDZULMCYFVRSH-MCIONIFRSA-N 1 0 248.370 2.306 20 30 BEEDRO C=CCC[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451406879 388270185 /nfs/dbraw/zinc/27/01/85/388270185.db2.gz UGRFLPCKUYXYCG-UHFFFAOYSA-N 1 0 234.347 2.015 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000491126833 388271812 /nfs/dbraw/zinc/27/18/12/388271812.db2.gz SQRXDJRXDAVGQX-UHFFFAOYSA-N 1 0 239.359 2.452 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(OC)ccc1F ZINC000491126086 388272143 /nfs/dbraw/zinc/27/21/43/388272143.db2.gz KNPFZLKMLKCZJZ-NSHDSACASA-N 1 0 221.275 2.336 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000451435363 388273289 /nfs/dbraw/zinc/27/32/89/388273289.db2.gz RAURFJZDIDWBOS-LBPRGKRZSA-N 1 0 246.301 2.018 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(O)c2nc(C)ccc12 ZINC000491148057 388273461 /nfs/dbraw/zinc/27/34/61/388273461.db2.gz UHTIOKYNPGGHNR-UHFFFAOYSA-N 1 0 240.306 2.314 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccccc1C#N ZINC000042223122 388274392 /nfs/dbraw/zinc/27/43/92/388274392.db2.gz NKAZOZFYDBHPFC-UHFFFAOYSA-N 1 0 232.327 2.153 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000042240483 388274904 /nfs/dbraw/zinc/27/49/04/388274904.db2.gz CWFMQJLRKHDBFP-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C#CC[N@@H+](CCc1scnc1C)C1CC1 ZINC000491182311 388275596 /nfs/dbraw/zinc/27/55/96/388275596.db2.gz ZYCINHHRNUXIFM-UHFFFAOYSA-N 1 0 220.341 2.092 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000491192028 388275949 /nfs/dbraw/zinc/27/59/49/388275949.db2.gz KHJAYLMYGJUCQS-GWCFXTLKSA-N 1 0 237.730 2.327 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CC2)[C@H]2CCCO[C@H]21 ZINC000451481095 388276274 /nfs/dbraw/zinc/27/62/74/388276274.db2.gz SIBOLBDDRXKGAD-IJLUTSLNSA-N 1 0 234.343 2.083 20 30 BEEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451490152 388277151 /nfs/dbraw/zinc/27/71/51/388277151.db2.gz CYBUKNRPAAVXSJ-VXGBXAGGSA-N 1 0 236.359 2.472 20 30 BEEDRO CC(C)O[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451490150 388277173 /nfs/dbraw/zinc/27/71/73/388277173.db2.gz CYBUKNRPAAVXSJ-NWDGAFQWSA-N 1 0 236.359 2.472 20 30 BEEDRO CO[C@@]1(C)C[C@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451485997 388277356 /nfs/dbraw/zinc/27/73/56/388277356.db2.gz JNOOIHQCYGTHIQ-JQWIXIFHSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451495625 388278120 /nfs/dbraw/zinc/27/81/20/388278120.db2.gz JUKQVRPTOMLMCE-QJPTWQEYSA-N 1 0 207.317 2.110 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000491252290 388280391 /nfs/dbraw/zinc/28/03/91/388280391.db2.gz HDMWLBDUDVNSGA-CYBMUJFWSA-N 1 0 217.312 2.409 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)cc1OC ZINC000491252333 388280410 /nfs/dbraw/zinc/28/04/10/388280410.db2.gz HLYQYBZSNLGIAE-LBPRGKRZSA-N 1 0 217.312 2.457 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCOC1 ZINC000162661916 388354846 /nfs/dbraw/zinc/35/48/46/388354846.db2.gz QBLLBXXLQZJNOU-ZYHUDNBSSA-N 1 0 248.301 2.212 20 30 BEEDRO CN(CC[NH+](C)C)c1ccc(C#N)c(Cl)c1 ZINC000090567447 388405206 /nfs/dbraw/zinc/40/52/06/388405206.db2.gz OVJADYJPTSFGTG-UHFFFAOYSA-N 1 0 237.734 2.209 20 30 BEEDRO N#CCC[NH2+]CC1CCC(F)(F)CC1 ZINC000572715271 388370210 /nfs/dbraw/zinc/37/02/10/388370210.db2.gz ZTBPAVAQYATCNK-UHFFFAOYSA-N 1 0 202.248 2.315 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]CCC(C)(C)C#N ZINC000235641384 388374941 /nfs/dbraw/zinc/37/49/41/388374941.db2.gz SLAFGIGGSSTCJE-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO COC[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595055275 388376577 /nfs/dbraw/zinc/37/65/77/388376577.db2.gz BUWACHSSEGMFKR-HNNXBMFYSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000152891882 388377509 /nfs/dbraw/zinc/37/75/09/388377509.db2.gz HHUZGZKZHIJMOG-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CCOC1 ZINC000163378559 388377824 /nfs/dbraw/zinc/37/78/24/388377824.db2.gz LFWVKSGDSJWBBC-ZYHUDNBSSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@H]1C ZINC000595506103 388387537 /nfs/dbraw/zinc/38/75/37/388387537.db2.gz ZKIBCBHGHRRQFQ-NEPJUHHUSA-N 1 0 214.312 2.441 20 30 BEEDRO C=CCCO[C@@H](C)C(=O)Nc1cccc(C[NH3+])c1 ZINC000646579815 388388246 /nfs/dbraw/zinc/38/82/46/388388246.db2.gz QEUXWMUUBAEYQU-NSHDSACASA-N 1 0 248.326 2.065 20 30 BEEDRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164569870 388393923 /nfs/dbraw/zinc/39/39/23/388393923.db2.gz BCIXFDWSEWLNGL-WOPDTQHZSA-N 1 0 232.327 2.226 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CCOCC1 ZINC000229751232 388396957 /nfs/dbraw/zinc/39/69/57/388396957.db2.gz DATKEOYSCFTARO-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H]1CCCN1C ZINC000572987598 388398637 /nfs/dbraw/zinc/39/86/37/388398637.db2.gz NWLZEPRBICQGFN-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000175013042 388444174 /nfs/dbraw/zinc/44/41/74/388444174.db2.gz NMTULDXUELDDNO-VXGBXAGGSA-N 1 0 247.342 2.114 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000310316058 388480656 /nfs/dbraw/zinc/48/06/56/388480656.db2.gz SFXKVRHEKYUXJD-DCAQKATOSA-N 1 0 249.276 2.344 20 30 BEEDRO C[C@H]1OCC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000335792123 388453640 /nfs/dbraw/zinc/45/36/40/388453640.db2.gz IJMXYNJVPQQOHV-QWHCGFSZSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@H]1OCC[N@H+](Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000335792121 388454520 /nfs/dbraw/zinc/45/45/20/388454520.db2.gz IJMXYNJVPQQOHV-CHWSQXEVSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)O)c1cccc(C#N)c1 ZINC000271858353 388408573 /nfs/dbraw/zinc/40/85/73/388408573.db2.gz SUGGLKABZGBFFG-LLVKDONJSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCCO1 ZINC000271941812 388413607 /nfs/dbraw/zinc/41/36/07/388413607.db2.gz BTEOCZLFBFNHBI-MFKMUULPSA-N 1 0 234.299 2.198 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCCO1 ZINC000271941815 388413844 /nfs/dbraw/zinc/41/38/44/388413844.db2.gz BTEOCZLFBFNHBI-ZWNOBZJWSA-N 1 0 234.299 2.198 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccccc1-n1cncn1 ZINC000648727255 388415404 /nfs/dbraw/zinc/41/54/04/388415404.db2.gz ZWLYRGYMBPBIEN-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO CCOCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271972802 388417045 /nfs/dbraw/zinc/41/70/45/388417045.db2.gz WZJHNXQCWDGBQS-JTQLQIEISA-N 1 0 236.290 2.384 20 30 BEEDRO CC1(C)C[C@H](C[NH2+]C[C@H](C#N)CCC#N)CCO1 ZINC000573083575 388419006 /nfs/dbraw/zinc/41/90/06/388419006.db2.gz BSAJGPSSBMUKOK-OLZOCXBDSA-N 1 0 249.358 2.225 20 30 BEEDRO CC1(C)C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)CCO1 ZINC000573083576 388419041 /nfs/dbraw/zinc/41/90/41/388419041.db2.gz BSAJGPSSBMUKOK-QWHCGFSZSA-N 1 0 249.358 2.225 20 30 BEEDRO CCC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443992203 388421097 /nfs/dbraw/zinc/42/10/97/388421097.db2.gz YDYTUOCZWVHZFH-CQSZACIVSA-N 1 0 232.327 2.117 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443993403 388422118 /nfs/dbraw/zinc/42/21/18/388422118.db2.gz AQEVJLBNWXICGX-UHFFFAOYSA-N 1 0 232.327 2.381 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCO)c1ccc(C#N)cc1 ZINC000094941663 388432213 /nfs/dbraw/zinc/43/22/13/388432213.db2.gz QOLIDTAIYNHPCC-NWDGAFQWSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000322369126 388433306 /nfs/dbraw/zinc/43/33/06/388433306.db2.gz YVLWGWGGKSMNEQ-QNWHQSFQSA-N 1 0 211.349 2.338 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)o1)C[C@H]1CCCC[C@H]1O ZINC000245972471 388435700 /nfs/dbraw/zinc/43/57/00/388435700.db2.gz OFAGDCHHROVBSK-BXUZGUMPSA-N 1 0 248.326 2.134 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000174134707 388436424 /nfs/dbraw/zinc/43/64/24/388436424.db2.gz ZJURRFGRKIIFLC-GXTWGEPZSA-N 1 0 248.326 2.444 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000516490394 256776549 /nfs/dbraw/zinc/77/65/49/256776549.db2.gz HHNDAHVHKCHROB-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1C ZINC000528519655 388541319 /nfs/dbraw/zinc/54/13/19/388541319.db2.gz DKYCDAUXSLEBQV-FDYHWXHSSA-N 1 0 236.359 2.017 20 30 BEEDRO COCCC1CC[NH+](CCCCC#N)CC1 ZINC000528572841 388548496 /nfs/dbraw/zinc/54/84/96/388548496.db2.gz FSAMKQHHDMMTSN-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)O ZINC000340493991 388492014 /nfs/dbraw/zinc/49/20/14/388492014.db2.gz AJQLVEHDRKPFHN-UTUOFQBUSA-N 1 0 224.348 2.208 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343535942 388500760 /nfs/dbraw/zinc/50/07/60/388500760.db2.gz QZCQZZVMJSDEGQ-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343549632 388501555 /nfs/dbraw/zinc/50/15/55/388501555.db2.gz KATZIGAMCLETGJ-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO CCC[N@H+](CC(=O)OC)CC(C)(C)CCC#N ZINC000178870723 388506050 /nfs/dbraw/zinc/50/60/50/388506050.db2.gz MKZXDHMHUYKTFQ-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1CCC ZINC000548159463 388518643 /nfs/dbraw/zinc/51/86/43/388518643.db2.gz DCBSYJGXLOWACA-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC[N@@H+](C)CCN(C)C1CC1 ZINC000516848243 388519763 /nfs/dbraw/zinc/51/97/63/388519763.db2.gz JKIOYOIKHYGGHW-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO CC[C@]1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528406914 388520392 /nfs/dbraw/zinc/52/03/92/388520392.db2.gz UJGYQKSLOBSATM-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1O ZINC000250217201 388588119 /nfs/dbraw/zinc/58/81/19/388588119.db2.gz FKTRZEFCNCMRSH-LSDHHAIUSA-N 1 0 244.338 2.294 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000183598593 256840803 /nfs/dbraw/zinc/84/08/03/256840803.db2.gz XGYYYHHHHBEYQK-LBPRGKRZSA-N 1 0 225.295 2.156 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000649307565 388594075 /nfs/dbraw/zinc/59/40/75/388594075.db2.gz AXJSKUDFDFUTMD-NWDGAFQWSA-N 1 0 221.300 2.006 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000328301643 388594597 /nfs/dbraw/zinc/59/45/97/388594597.db2.gz URFJBFKPXSGRLJ-ZIAGYGMSSA-N 1 0 222.376 2.110 20 30 BEEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1)C1CC1 ZINC000106469342 388595558 /nfs/dbraw/zinc/59/55/58/388595558.db2.gz JAEIWQNTQDVYIX-AWEZNQCLSA-N 1 0 229.327 2.310 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(C#N)cc1 ZINC000296630453 388602111 /nfs/dbraw/zinc/60/21/11/388602111.db2.gz XJEXXEPSOQKIJL-LNSITVRQSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000550453725 388608975 /nfs/dbraw/zinc/60/89/75/388608975.db2.gz GCFYFVGQTXCLLK-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000080626698 388561274 /nfs/dbraw/zinc/56/12/74/388561274.db2.gz RQSJWEGZAYUPJQ-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO CSC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000130700507 388566612 /nfs/dbraw/zinc/56/66/12/388566612.db2.gz WFOMDWLLJMWJET-SNVBAGLBSA-N 1 0 220.341 2.399 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000528758926 388568411 /nfs/dbraw/zinc/56/84/11/388568411.db2.gz MGGQEXZNLNCCRG-AYDFFVQHSA-N 1 0 243.350 2.440 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000387442374 388581677 /nfs/dbraw/zinc/58/16/77/388581677.db2.gz PSAKXLGUERTYJB-JHJVBQTASA-N 1 0 210.365 2.271 20 30 BEEDRO C[C@H]([NH2+]Cc1cncn1C)c1ccc(C#N)cc1 ZINC000112343019 388667272 /nfs/dbraw/zinc/66/72/72/388667272.db2.gz XCMWSRSZWZODBA-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@@H](C)S1 ZINC000520423566 388667888 /nfs/dbraw/zinc/66/78/88/388667888.db2.gz GAOLJGZKGKDSLX-GHMZBOCLSA-N 1 0 247.367 2.279 20 30 BEEDRO COc1cc(C[NH2+]CCCCF)ccc1C#N ZINC000310457905 388670049 /nfs/dbraw/zinc/67/00/49/388670049.db2.gz ZRLPQLBNGJBKSS-UHFFFAOYSA-N 1 0 236.290 2.406 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)C1CC1 ZINC000125325859 388670947 /nfs/dbraw/zinc/67/09/47/388670947.db2.gz AWRXCIUNAHMHDV-LBPRGKRZSA-N 1 0 205.305 2.244 20 30 BEEDRO COC[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000112989190 388671546 /nfs/dbraw/zinc/67/15/46/388671546.db2.gz TVKOQZCUJFLHDK-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000521994756 388672827 /nfs/dbraw/zinc/67/28/27/388672827.db2.gz GAUILJBWQMCPCD-LBPRGKRZSA-N 1 0 247.317 2.155 20 30 BEEDRO CC1(O)CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000192071912 388673066 /nfs/dbraw/zinc/67/30/66/388673066.db2.gz PLTINZBOWBGGJN-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C#N)c(C)n1 ZINC000311195954 388673841 /nfs/dbraw/zinc/67/38/41/388673841.db2.gz IBIOZROWFFGRDQ-NSHDSACASA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCS[C@H](C)CC1 ZINC000192191221 388675904 /nfs/dbraw/zinc/67/59/04/388675904.db2.gz MRVKCTGEJUOQTH-VXGBXAGGSA-N 1 0 229.389 2.141 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000077897269 388678090 /nfs/dbraw/zinc/67/80/90/388678090.db2.gz DVGZJWNCDHCZLX-CQSZACIVSA-N 1 0 230.311 2.027 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H](O)CC ZINC000313130334 388682007 /nfs/dbraw/zinc/68/20/07/388682007.db2.gz BQSFEMCXOWGTCK-NEPJUHHUSA-N 1 0 238.356 2.259 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)C1 ZINC000551571079 388634578 /nfs/dbraw/zinc/63/45/78/388634578.db2.gz QAUMJUXXVWMAGY-RYUDHWBXSA-N 1 0 244.342 2.001 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)s1 ZINC000230315338 388636533 /nfs/dbraw/zinc/63/65/33/388636533.db2.gz MSSPPXXSMIQVHA-CHWSQXEVSA-N 1 0 248.351 2.277 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230313404 388636769 /nfs/dbraw/zinc/63/67/69/388636769.db2.gz ZNINIZDLTWEBIO-HUUCEWRRSA-N 1 0 242.322 2.215 20 30 BEEDRO N#CC1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104021 388637842 /nfs/dbraw/zinc/63/78/42/388637842.db2.gz FUZBSSIELNJNAK-ZIAGYGMSSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCCOC1)c1ccc(C#N)cc1 ZINC000109543483 388640385 /nfs/dbraw/zinc/64/03/85/388640385.db2.gz CRKWSWXRJJCLMC-FZMZJTMJSA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189942585 388644852 /nfs/dbraw/zinc/64/48/52/388644852.db2.gz UXVPJDOSARMOKR-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO COCC[C@@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000414487665 388664431 /nfs/dbraw/zinc/66/44/31/388664431.db2.gz VPLBVAPARMYLOU-SNVBAGLBSA-N 1 0 238.356 2.382 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H](O)C(C)C ZINC000414537396 388664557 /nfs/dbraw/zinc/66/45/57/388664557.db2.gz YXFHIQJNNLSBSY-STQMWFEESA-N 1 0 236.315 2.036 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)[C@H]1CC[C@H](O)CC1 ZINC000275892890 388736396 /nfs/dbraw/zinc/73/63/96/388736396.db2.gz QLCUOEFXBSZXGP-SHTZXODSSA-N 1 0 244.338 2.294 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000447575644 388736609 /nfs/dbraw/zinc/73/66/09/388736609.db2.gz UGCAINIRELOSMU-UONOGXRCSA-N 1 0 230.311 2.388 20 30 BEEDRO N#Cc1csc(CNCCC[NH+]2CCCC2)c1 ZINC000093492189 388742347 /nfs/dbraw/zinc/74/23/47/388742347.db2.gz IUUZGXFSORZTCH-UHFFFAOYSA-N 1 0 249.383 2.195 20 30 BEEDRO Cc1n[nH]cc1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037886433 388744702 /nfs/dbraw/zinc/74/47/02/388744702.db2.gz HEHQFXRPAYJOSZ-SNVBAGLBSA-N 1 0 240.310 2.441 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820706 388746565 /nfs/dbraw/zinc/74/65/65/388746565.db2.gz RMQWHIQKEQWPQC-ZDUSSCGKSA-N 1 0 248.351 2.232 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000449307330 388747945 /nfs/dbraw/zinc/74/79/45/388747945.db2.gz ZGBZDTYHHIAEJY-FZMZJTMJSA-N 1 0 246.379 2.442 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000019904557 388751165 /nfs/dbraw/zinc/75/11/65/388751165.db2.gz ASUFDTFQJNPRKP-GHMZBOCLSA-N 1 0 218.300 2.244 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000423275759 388689821 /nfs/dbraw/zinc/68/98/21/388689821.db2.gz NIMFLVSYCGJRDJ-WFASDCNBSA-N 1 0 245.370 2.454 20 30 BEEDRO CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244046 388690169 /nfs/dbraw/zinc/69/01/69/388690169.db2.gz XDIYELUUCCUARQ-CABCVRRESA-N 1 0 243.354 2.351 20 30 BEEDRO C[C@H](NCC1([NH3+])CCC1)c1ccc(C#N)cc1F ZINC000423335897 388690704 /nfs/dbraw/zinc/69/07/04/388690704.db2.gz UIXUKXZXEMPVAD-JTQLQIEISA-N 1 0 247.317 2.229 20 30 BEEDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322121 388690784 /nfs/dbraw/zinc/69/07/84/388690784.db2.gz NPHHMVBAPYTKAF-LKFCYVNXSA-N 1 0 247.317 2.085 20 30 BEEDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1F ZINC000423478514 388692716 /nfs/dbraw/zinc/69/27/16/388692716.db2.gz USFHZMRCRLOMHO-KOLCDFICSA-N 1 0 235.306 2.085 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CC23CC3)ccc1C#N ZINC000424187207 388694802 /nfs/dbraw/zinc/69/48/02/388694802.db2.gz VCBBNQMXMPKGFZ-ZDUSSCGKSA-N 1 0 228.295 2.209 20 30 BEEDRO C=CC1CC[NH+](Cc2cccnc2OC)CC1 ZINC000193343527 388701544 /nfs/dbraw/zinc/70/15/44/388701544.db2.gz PNAKYYOWLHEJJZ-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2CCO)C1 ZINC000249055757 388705642 /nfs/dbraw/zinc/70/56/42/388705642.db2.gz YOHYMSQOQUGXCM-RFGFWPKPSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1nsc(N[C@H]2CC[NH2+]C23CCC3)c1C#N ZINC000530178230 388713701 /nfs/dbraw/zinc/71/37/01/388713701.db2.gz HSHIKZUOMYEABH-JTQLQIEISA-N 1 0 248.355 2.020 20 30 BEEDRO CCOC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000081519151 388720552 /nfs/dbraw/zinc/72/05/52/388720552.db2.gz JARVSHWHBFWHPR-ZDUSSCGKSA-N 1 0 244.338 2.417 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000081519150 388720789 /nfs/dbraw/zinc/72/07/89/388720789.db2.gz JARVSHWHBFWHPR-CYBMUJFWSA-N 1 0 244.338 2.417 20 30 BEEDRO CSCCC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000281106066 388792016 /nfs/dbraw/zinc/79/20/16/388792016.db2.gz AVQRPWYHBYBERH-UHFFFAOYSA-N 1 0 237.372 2.082 20 30 BEEDRO C[C@H]1OCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229701379 388798010 /nfs/dbraw/zinc/79/80/10/388798010.db2.gz MFYKTSPZQWBXQA-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000229897321 388802632 /nfs/dbraw/zinc/80/26/32/388802632.db2.gz CVLQVELQCIUEEC-LBPRGKRZSA-N 1 0 233.311 2.292 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(F)c1F ZINC000229894642 388803214 /nfs/dbraw/zinc/80/32/14/388803214.db2.gz WWYLXXIFSWJNEC-JTQLQIEISA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(OC)c1OC ZINC000229889555 388803516 /nfs/dbraw/zinc/80/35/16/388803516.db2.gz AQGKFMNVAZDSAX-GFCCVEGCSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccn(CCC)c1 ZINC000229888270 388803631 /nfs/dbraw/zinc/80/36/31/388803631.db2.gz GSSNYXDDUUICNL-ZDUSSCGKSA-N 1 0 204.317 2.400 20 30 BEEDRO COCC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000128922549 388804392 /nfs/dbraw/zinc/80/43/92/388804392.db2.gz XWTSFKZNNMIRAU-UHFFFAOYSA-N 1 0 212.337 2.331 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)cc1F ZINC000229960814 388806117 /nfs/dbraw/zinc/80/61/17/388806117.db2.gz KRQGHBQXPDEAFW-LLVKDONJSA-N 1 0 221.275 2.336 20 30 BEEDRO CCSCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000281911368 388810242 /nfs/dbraw/zinc/81/02/42/388810242.db2.gz GHGZBINXFBSDIW-UHFFFAOYSA-N 1 0 237.372 2.130 20 30 BEEDRO CC[NH+](CC)CCCNc1ccc(C#N)nc1 ZINC000125888346 388811921 /nfs/dbraw/zinc/81/19/21/388811921.db2.gz BPQLFAQJNBUAQY-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CN(C)CC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000282102610 388812827 /nfs/dbraw/zinc/81/28/27/388812827.db2.gz DHQVZGLNAVMBTM-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000648745641 388786098 /nfs/dbraw/zinc/78/60/98/388786098.db2.gz YXKRFATUCNUTNQ-RDBSUJKOSA-N 1 0 244.338 2.392 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1(C)C ZINC000553813334 388790887 /nfs/dbraw/zinc/79/08/87/388790887.db2.gz AJVAWDHTHRAOAV-FDYHWXHSSA-N 1 0 249.358 2.079 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000229514091 388791654 /nfs/dbraw/zinc/79/16/54/388791654.db2.gz YAYFSDRFYYFEFG-NSHDSACASA-N 1 0 218.256 2.096 20 30 BEEDRO CC(C)[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000284446445 388827447 /nfs/dbraw/zinc/82/74/47/388827447.db2.gz ZSYFBZMANXAPOB-AWEZNQCLSA-N 1 0 232.327 2.007 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000335475721 388830607 /nfs/dbraw/zinc/83/06/07/388830607.db2.gz ATCMEGSRFLVALW-CYBMUJFWSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCOC1 ZINC000337217674 388851450 /nfs/dbraw/zinc/85/14/50/388851450.db2.gz JOSAGJCYJOLSQQ-DOMZBBRYSA-N 1 0 244.338 2.267 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCOC[C@H]1OCC ZINC000556235161 388872115 /nfs/dbraw/zinc/87/21/15/388872115.db2.gz KOCNLGQPFQNSAB-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000555377793 388848884 /nfs/dbraw/zinc/84/88/84/388848884.db2.gz XKCQGAWTFXMAQK-CQSZACIVSA-N 1 0 249.354 2.072 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000232513959 388851160 /nfs/dbraw/zinc/85/11/60/388851160.db2.gz BWFVCTSXHQOBFK-RYUDHWBXSA-N 1 0 238.375 2.455 20 30 BEEDRO COc1cccc(C[NH2+]CCCC#N)c1 ZINC000037488863 388881000 /nfs/dbraw/zinc/88/10/00/388881000.db2.gz SBKPPAOGTUOJLP-UHFFFAOYSA-N 1 0 204.273 2.089 20 30 BEEDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccc(C#N)cc1 ZINC000037508428 388886634 /nfs/dbraw/zinc/88/66/34/388886634.db2.gz CVUSFFHRHWRTHO-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C[NH+](C)CCNc1c(C#N)cnc2ccccc21 ZINC000037507617 388886693 /nfs/dbraw/zinc/88/66/93/388886693.db2.gz TUYBDCNEYHOYSY-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccc(C#N)cc1 ZINC000037508476 388886885 /nfs/dbraw/zinc/88/68/85/388886885.db2.gz XISVVDIPVMRVTA-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC#N)CCO1 ZINC000564851722 388893774 /nfs/dbraw/zinc/89/37/74/388893774.db2.gz QHQFJONMIFWZKJ-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000564463894 388875599 /nfs/dbraw/zinc/87/55/99/388875599.db2.gz ZIEMAAPGJMHCEG-XQQFMLRXSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCCCN1CC[NH+](CC2CC2)CC1 ZINC000565579935 388955770 /nfs/dbraw/zinc/95/57/70/388955770.db2.gz MCPPHOVFTBYWQY-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO CCN1CCC[N@@H+]([C@@H](C)CCCC#N)CC1 ZINC001172494624 974844179 /nfs/dbraw/zinc/84/41/79/974844179.db2.gz WOFIGURTDZJZIH-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001172496374 974844648 /nfs/dbraw/zinc/84/46/48/974844648.db2.gz MGSABBGSODHCRE-CHWSQXEVSA-N 1 0 222.332 2.324 20 30 BEEDRO C#CC[N@H+](C[C@@H]1COC2(CCCCC2)O1)C1CC1 ZINC001645708433 1172687773 /nfs/dbraw/zinc/68/77/73/1172687773.db2.gz ZJLDVIPWSCOPPE-CQSZACIVSA-N 1 0 249.354 2.160 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccn1)C(C)(C)C ZINC000290217112 533266849 /nfs/dbraw/zinc/26/68/49/533266849.db2.gz RECFSUINOCYMEI-GFCCVEGCSA-N 1 0 202.301 2.219 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cncs1)C(C)(C)C ZINC000290283797 533266783 /nfs/dbraw/zinc/26/67/83/533266783.db2.gz ZLJCOYLXAKTRRP-SNVBAGLBSA-N 1 0 208.330 2.281 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CCC1)c1ccc(Cl)cc1 ZINC000263098806 533277617 /nfs/dbraw/zinc/27/76/17/533277617.db2.gz JTEMUPLHCMKCKR-LBPRGKRZSA-N 1 0 247.729 2.035 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CCC[C@H](C)C1)C(C)(C)C ZINC000262330692 533277663 /nfs/dbraw/zinc/27/76/63/533277663.db2.gz VJAFYWMXOSCDFX-RYUDHWBXSA-N 1 0 235.375 2.081 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000510154193 533290914 /nfs/dbraw/zinc/29/09/14/533290914.db2.gz GTSNYCRYMSSJIR-BETUJISGSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000510106952 533291550 /nfs/dbraw/zinc/29/15/50/533291550.db2.gz WMSDGRMJFRMAET-BETUJISGSA-N 1 0 248.301 2.307 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000166516992 533297383 /nfs/dbraw/zinc/29/73/83/533297383.db2.gz LMUDADVQBLRKIS-VIFPVBQESA-N 1 0 231.324 2.250 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000368050889 533298354 /nfs/dbraw/zinc/29/83/54/533298354.db2.gz INUZVQVFQVQFIN-JTQLQIEISA-N 1 0 243.285 2.327 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262544065 533299549 /nfs/dbraw/zinc/29/95/49/533299549.db2.gz SCIPAPHNZOEVDL-CYBMUJFWSA-N 1 0 241.338 2.314 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])NC1CCCCCC1 ZINC000262553576 533299568 /nfs/dbraw/zinc/29/95/68/533299568.db2.gz VOOUCCGKKZLHME-LLVKDONJSA-N 1 0 221.348 2.025 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1cn[nH]c1 ZINC000494661259 533341581 /nfs/dbraw/zinc/34/15/81/533341581.db2.gz KVJRKFBZYKCYBU-LLVKDONJSA-N 1 0 243.285 2.251 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@H](C)CCO)cc1 ZINC000295116706 533342327 /nfs/dbraw/zinc/34/23/27/533342327.db2.gz MMLZWNDUVOAKEU-ZDUSSCGKSA-N 1 0 231.339 2.166 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)cc1 ZINC000289540395 533343025 /nfs/dbraw/zinc/34/30/25/533343025.db2.gz IANZRMPIUYXYFL-XJKSGUPXSA-N 1 0 243.350 2.430 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000290386922 533343456 /nfs/dbraw/zinc/34/34/56/533343456.db2.gz BJTUALVWLVLHAA-VXGBXAGGSA-N 1 0 217.312 2.181 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000352015020 533485019 /nfs/dbraw/zinc/48/50/19/533485019.db2.gz OWDBFANGQRSMQK-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(C)CC[N@@H+](C)C1CCN(CC)CC1 ZINC000352045025 533485236 /nfs/dbraw/zinc/48/52/36/533485236.db2.gz ILJLBISFJDHLCS-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000181274598 533494486 /nfs/dbraw/zinc/49/44/86/533494486.db2.gz ZUAWLLLKHBTKEQ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000181274656 533495400 /nfs/dbraw/zinc/49/54/00/533495400.db2.gz ZUAWLLLKHBTKEQ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000177895617 533500284 /nfs/dbraw/zinc/50/02/84/533500284.db2.gz SAJFUYHZHMODIS-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@H]1CCC[NH2+]1 ZINC000400325846 533502691 /nfs/dbraw/zinc/50/26/91/533502691.db2.gz AGXBMTZYZMLCEQ-YWPYICTPSA-N 1 0 243.354 2.349 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000263169504 533510679 /nfs/dbraw/zinc/51/06/79/533510679.db2.gz RVFBYHZOXPHULR-JTQLQIEISA-N 1 0 245.317 2.292 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261798175 533511357 /nfs/dbraw/zinc/51/13/57/533511357.db2.gz LOWCZDRJWZANKH-SNVBAGLBSA-N 1 0 245.317 2.292 20 30 BEEDRO C=C(C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000334880240 533514841 /nfs/dbraw/zinc/51/48/41/533514841.db2.gz FCWOHOMXMXYDMR-UHFFFAOYSA-N 1 0 245.326 2.030 20 30 BEEDRO C=C(C)CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000122402301 533514985 /nfs/dbraw/zinc/51/49/85/533514985.db2.gz WUFZWASNCAWAGA-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCSC1 ZINC000336766820 533540737 /nfs/dbraw/zinc/54/07/37/533540737.db2.gz SLKZJJCUAVYBPZ-UTUOFQBUSA-N 1 0 227.373 2.063 20 30 BEEDRO COC[C@H]1CC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172494460 974846117 /nfs/dbraw/zinc/84/61/17/974846117.db2.gz UYQGPFUUJAVXNV-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2)[C@@H](C)C1 ZINC000286221157 132214505 /nfs/dbraw/zinc/21/45/05/132214505.db2.gz CZEOVILUYRWIKO-LBPRGKRZSA-N 1 0 229.327 2.089 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000070175035 132230247 /nfs/dbraw/zinc/23/02/47/132230247.db2.gz RMCKOVRUAZBXRG-WDEREUQCSA-N 1 0 247.317 2.261 20 30 BEEDRO C[NH2+]CCC1CCN(c2ccc(C#N)cc2)CC1 ZINC000070190122 132230312 /nfs/dbraw/zinc/23/03/12/132230312.db2.gz FONOCDJOHKWTKX-UHFFFAOYSA-N 1 0 243.354 2.384 20 30 BEEDRO N#Cc1ccc(Cl)cc1N1CCC[C@H](C[NH3+])C1 ZINC000062785831 132241113 /nfs/dbraw/zinc/24/11/13/132241113.db2.gz ZGFCCDTWGRSWKY-SNVBAGLBSA-N 1 0 249.745 2.387 20 30 BEEDRO C[C@H]([NH3+])C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000110651531 132267614 /nfs/dbraw/zinc/26/76/14/132267614.db2.gz CNULOSXJZREMTD-JTQLQIEISA-N 1 0 247.317 2.261 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000078617576 132309808 /nfs/dbraw/zinc/30/98/08/132309808.db2.gz CNDJRONMHJZFAX-GFCCVEGCSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001172498633 974848550 /nfs/dbraw/zinc/84/85/50/974848550.db2.gz OURMIIDJDVGCCX-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO COC(=O)[C@H](C(C)C)[N@H+](C)[C@@H](C)CCCC#N ZINC001172498481 974848882 /nfs/dbraw/zinc/84/88/82/974848882.db2.gz NOEBAEKTCRAJGC-RYUDHWBXSA-N 1 0 240.347 2.198 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000246554306 133486586 /nfs/dbraw/zinc/48/65/86/133486586.db2.gz DMWADLVHTBCEQX-ZDEQEGDKSA-N 1 0 238.375 2.091 20 30 BEEDRO CN(C(=[NH2+])NCCCc1ccccc1)C1CC1 ZINC000273357446 133545457 /nfs/dbraw/zinc/54/54/57/133545457.db2.gz RVSJDEZUFOWBTH-UHFFFAOYSA-N 1 0 231.343 2.028 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCNc2ccccn2)C1 ZINC000278150473 133552191 /nfs/dbraw/zinc/55/21/91/133552191.db2.gz ACUQPBQNEGQPRQ-OLZOCXBDSA-N 1 0 244.342 2.165 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC[C@@H](C)O)c1 ZINC000278583191 133553102 /nfs/dbraw/zinc/55/31/02/133553102.db2.gz BTEACQUZLWNCJH-GFCCVEGCSA-N 1 0 249.358 2.191 20 30 BEEDRO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000252880887 133652332 /nfs/dbraw/zinc/65/23/32/133652332.db2.gz YMSLNWQMCURLCC-AEGPPILISA-N 1 0 241.338 2.122 20 30 BEEDRO C[C@H](O)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000334536677 133693073 /nfs/dbraw/zinc/69/30/73/133693073.db2.gz UWCCSYLAEMHGKG-NHYWBVRUSA-N 1 0 244.338 2.296 20 30 BEEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000334735622 133743698 /nfs/dbraw/zinc/74/36/98/133743698.db2.gz RIOXOILSBSXSRZ-CBKZZEEASA-N 1 0 236.359 2.208 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334797916 133747667 /nfs/dbraw/zinc/74/76/67/133747667.db2.gz YJUARJFYDSBTBV-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cn[nH]c1 ZINC000330309456 134001207 /nfs/dbraw/zinc/00/12/07/134001207.db2.gz UFYUINLDBBKIKO-LLVKDONJSA-N 1 0 236.319 2.262 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc(OC)cc(C)n1 ZINC000167551161 134005942 /nfs/dbraw/zinc/00/59/42/134005942.db2.gz LVNJBDRASSXVHT-UHFFFAOYSA-N 1 0 206.289 2.064 20 30 BEEDRO C=C(C)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000335944288 134019310 /nfs/dbraw/zinc/01/93/10/134019310.db2.gz BMIWCZIHXQNWRG-OLZOCXBDSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(C)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000335944287 134019595 /nfs/dbraw/zinc/01/95/95/134019595.db2.gz BMIWCZIHXQNWRG-CHWSQXEVSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C1CC[NH+](C[C@H]2CCO[C@H](C)C2)CC1 ZINC000335969038 134029187 /nfs/dbraw/zinc/02/91/87/134029187.db2.gz PSYZWQQPKWZBOH-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000352015023 134035703 /nfs/dbraw/zinc/03/57/03/134035703.db2.gz OWDBFANGQRSMQK-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](N(CC)CC)C1 ZINC000352024426 134040919 /nfs/dbraw/zinc/04/09/19/134040919.db2.gz GQJCJMHJYOSKTG-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H](O)C2)ccc1C#N ZINC000335997689 134042843 /nfs/dbraw/zinc/04/28/43/134042843.db2.gz KPPCCOAIAWMPFU-XHDPSFHLSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000336028622 134057785 /nfs/dbraw/zinc/05/77/85/134057785.db2.gz OKMLJGYAGUFZDZ-CHWSQXEVSA-N 1 0 243.354 2.083 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CCC)C1 ZINC000352122664 134074748 /nfs/dbraw/zinc/07/47/48/134074748.db2.gz GUHZVMLPPLWXGG-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000352123371 134074825 /nfs/dbraw/zinc/07/48/25/134074825.db2.gz NGGOHIQCSLPGGY-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000336131820 134094406 /nfs/dbraw/zinc/09/44/06/134094406.db2.gz COZPOOMGAKPPTJ-QMTHXVAHSA-N 1 0 248.301 2.212 20 30 BEEDRO COC1CC([N@H+](C)CC#Cc2ccc(F)cc2)C1 ZINC000352196199 134098900 /nfs/dbraw/zinc/09/89/00/134098900.db2.gz XGDMBIBZIVHDDU-UHFFFAOYSA-N 1 0 247.313 2.286 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CCO1 ZINC000336173475 134116074 /nfs/dbraw/zinc/11/60/74/134116074.db2.gz OPDMMSBXUCGGOV-ABXWRUBCSA-N 1 0 236.359 2.473 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000336214450 134136040 /nfs/dbraw/zinc/13/60/40/134136040.db2.gz STDYYQDOAMGPOY-DKNRTOFZSA-N 1 0 236.359 2.352 20 30 BEEDRO Cc1cc(C[NH2+]C2CCC(C)(C#N)CC2)n(C)n1 ZINC000336217787 134137869 /nfs/dbraw/zinc/13/78/69/134137869.db2.gz QCWPEKDQRGQHMO-UHFFFAOYSA-N 1 0 246.358 2.291 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(CF)CC2)C1 ZINC000336260858 134141597 /nfs/dbraw/zinc/14/15/97/134141597.db2.gz PRPMGIDRCORMIY-NWDGAFQWSA-N 1 0 210.296 2.360 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+](C)CCCC ZINC000352367479 134141744 /nfs/dbraw/zinc/14/17/44/134141744.db2.gz PCFGBBUOLPCODD-CQSZACIVSA-N 1 0 240.391 2.437 20 30 BEEDRO N#CC1(C[N@@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000336291870 134142218 /nfs/dbraw/zinc/14/22/18/134142218.db2.gz ZOVFWXZWKRDNFS-NSHDSACASA-N 1 0 222.357 2.118 20 30 BEEDRO N#CC1(F)CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000352441904 134145566 /nfs/dbraw/zinc/14/55/66/134145566.db2.gz GKRRMEBGYBEYDA-GFCCVEGCSA-N 1 0 240.322 2.273 20 30 BEEDRO C=CCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000336396010 134145981 /nfs/dbraw/zinc/14/59/81/134145981.db2.gz WCENCWYIHFCAPX-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCC(C)(C)C#N ZINC000352792206 134152813 /nfs/dbraw/zinc/15/28/13/134152813.db2.gz LMEKMSNRGRXPJH-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353026536 134158947 /nfs/dbraw/zinc/15/89/47/134158947.db2.gz WCWXGPDXMPRMND-SECBINFHSA-N 1 0 205.248 2.124 20 30 BEEDRO N#Cc1ccc(Cl)cc1NC[C@H]([NH3+])C1CC1 ZINC000168241549 134160507 /nfs/dbraw/zinc/16/05/07/134160507.db2.gz HSLJGEXZELLOTJ-NSHDSACASA-N 1 0 235.718 2.361 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc2n[nH]c(C)c2c1 ZINC000353163020 134161892 /nfs/dbraw/zinc/16/18/92/134161892.db2.gz LDZLHEDYSHAVOA-UHFFFAOYSA-N 1 0 230.315 2.274 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353595287 134164785 /nfs/dbraw/zinc/16/47/85/134164785.db2.gz JBAYIQOXVYQVFC-ZFWWWQNUSA-N 1 0 242.322 2.072 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(O)CCOCC1 ZINC000353862272 134165320 /nfs/dbraw/zinc/16/53/20/134165320.db2.gz GHQDXTDLXVDDKN-CHWSQXEVSA-N 1 0 241.375 2.108 20 30 BEEDRO COC(=O)C(C)(C)CC[N@H+](C)CC(C)(C)C#N ZINC000354016747 134166129 /nfs/dbraw/zinc/16/61/29/134166129.db2.gz CHRGPJKNHXSZTB-UHFFFAOYSA-N 1 0 240.347 2.057 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000354207654 134167002 /nfs/dbraw/zinc/16/70/02/134167002.db2.gz MTGUXOLWCUTMOG-YNEHKIRRSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)C2CC(O)C2)c1 ZINC000355373962 134172970 /nfs/dbraw/zinc/17/29/70/134172970.db2.gz SOBZYXIUSMIQBR-UHFFFAOYSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000367223877 134177163 /nfs/dbraw/zinc/17/71/63/134177163.db2.gz JMHKWQIQACRRMR-UHFFFAOYSA-N 1 0 201.269 2.392 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000356749010 134179229 /nfs/dbraw/zinc/17/92/29/134179229.db2.gz XGEIPNLEONNAHO-CHWSQXEVSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357369187 134182923 /nfs/dbraw/zinc/18/29/23/134182923.db2.gz XLKJNBQGXBCSBV-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357505656 134183398 /nfs/dbraw/zinc/18/33/98/134183398.db2.gz XVCGEWTXFCMXDO-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C)(COC)CC1 ZINC000358743195 134192269 /nfs/dbraw/zinc/19/22/69/134192269.db2.gz KROMLGCKLMIDRT-CYBMUJFWSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCCC[C@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC000359633402 134196250 /nfs/dbraw/zinc/19/62/50/134196250.db2.gz JOGLBULIJJNLIN-LBPRGKRZSA-N 1 0 236.363 2.382 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2ccnc(C)n2)CC1 ZINC000361017018 134202728 /nfs/dbraw/zinc/20/27/28/134202728.db2.gz KQYCAZFYRFIVMG-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO Cc1ccncc1C[N@H+](C)CCCSCC#N ZINC000361409569 134205024 /nfs/dbraw/zinc/20/50/24/134205024.db2.gz HSKJXTVMJXPAFJ-UHFFFAOYSA-N 1 0 249.383 2.469 20 30 BEEDRO CC[N@@H+](CCC#N)CCCC1CCOCC1 ZINC000361461767 134205395 /nfs/dbraw/zinc/20/53/95/134205395.db2.gz BEPDUTCNZMWVNI-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@](C)(OC)CC1 ZINC000361436153 134205443 /nfs/dbraw/zinc/20/54/43/134205443.db2.gz ZABJOPNTILIBLR-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO N#CC1(c2nc(C3([NH3+])CCCC3)no2)CCCC1 ZINC000361603033 134206730 /nfs/dbraw/zinc/20/67/30/134206730.db2.gz UWHITQGEIIAGEP-UHFFFAOYSA-N 1 0 246.314 2.133 20 30 BEEDRO C=CCCC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000361699847 134207422 /nfs/dbraw/zinc/20/74/22/134207422.db2.gz SJRHMZDUVINYDB-UHFFFAOYSA-N 1 0 245.370 2.478 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000361742629 134207506 /nfs/dbraw/zinc/20/75/06/134207506.db2.gz GUDPLYVEHNIFDO-OLZOCXBDSA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@H]1CO ZINC000361861516 134207784 /nfs/dbraw/zinc/20/77/84/134207784.db2.gz CBODHZZBOSKRBT-ZBFHGGJFSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CC[N@H+](CCC(=O)Nc1cccnc1)C1CC1 ZINC000361864647 134207938 /nfs/dbraw/zinc/20/79/38/134207938.db2.gz CDSFAIYULGFXTG-UHFFFAOYSA-N 1 0 245.326 2.061 20 30 BEEDRO C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1CO ZINC000361861513 134208026 /nfs/dbraw/zinc/20/80/26/134208026.db2.gz CBODHZZBOSKRBT-GDBMZVCRSA-N 1 0 243.350 2.131 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH+](CCC)CC1 ZINC000362284890 134209517 /nfs/dbraw/zinc/20/95/17/134209517.db2.gz UHTPNJJNWZBJPA-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCCC[NH+](C)C ZINC000362299970 134209729 /nfs/dbraw/zinc/20/97/29/134209729.db2.gz JNFKDDVYAHYNDQ-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000362816041 134214529 /nfs/dbraw/zinc/21/45/29/134214529.db2.gz XXAGMCHWTFLYQE-GFCCVEGCSA-N 1 0 246.354 2.443 20 30 BEEDRO CC1(C)C[N@H+](CCCC#N)[C@H]1[C@H]1CCCO1 ZINC000368076131 134217449 /nfs/dbraw/zinc/21/74/49/134217449.db2.gz SXXBILFEQFUHFQ-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCCCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000368330051 134218015 /nfs/dbraw/zinc/21/80/15/134218015.db2.gz FWUAKECBIWVPFN-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC000120018942 134227196 /nfs/dbraw/zinc/22/71/96/134227196.db2.gz QCNKFHMJJBPMON-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N1CCC[N@@H+](CC(C)C)CC1 ZINC000371515674 134228694 /nfs/dbraw/zinc/22/86/94/134228694.db2.gz BJDYLKRMIJSLBT-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CC[N@H+](CCCCn1ccnc1C)C[C@H](C)C#N ZINC000120462483 134229641 /nfs/dbraw/zinc/22/96/41/134229641.db2.gz UFTVNPUDOQWTJO-CYBMUJFWSA-N 1 0 248.374 2.453 20 30 BEEDRO C=CCCCC(=O)N1CCC[N@@H+](CCC)CC1 ZINC000371886615 134229884 /nfs/dbraw/zinc/22/98/84/134229884.db2.gz WPGFCMCDPRBCCO-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO CC#CC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000120827843 134230575 /nfs/dbraw/zinc/23/05/75/134230575.db2.gz IDEYRJXGYGSRHI-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NC1CCCC1 ZINC000302736168 134231333 /nfs/dbraw/zinc/23/13/33/134231333.db2.gz DGHMAUMKWPNOAZ-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000303697508 134234673 /nfs/dbraw/zinc/23/46/73/134234673.db2.gz QQMRMCLTCPYOFQ-UHFFFAOYSA-N 1 0 237.265 2.342 20 30 BEEDRO C=CCCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC000373945101 134235187 /nfs/dbraw/zinc/23/51/87/134235187.db2.gz GOIDDEQEIJKKAS-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000304093799 134236298 /nfs/dbraw/zinc/23/62/98/134236298.db2.gz BYTMYFXOCNKFRF-GFCCVEGCSA-N 1 0 247.342 2.215 20 30 BEEDRO CC#CC[N@@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000121919726 134236320 /nfs/dbraw/zinc/23/63/20/134236320.db2.gz CHHNTSSHGTZHDH-NWDGAFQWSA-N 1 0 209.333 2.145 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374408448 134236783 /nfs/dbraw/zinc/23/67/83/134236783.db2.gz ZQCUJGRSLHADAY-OLZOCXBDSA-N 1 0 222.332 2.039 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374557306 134237311 /nfs/dbraw/zinc/23/73/11/134237311.db2.gz PWKVJRGGMZDEML-MRXNPFEDSA-N 1 0 243.350 2.036 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000304260143 134237407 /nfs/dbraw/zinc/23/74/07/134237407.db2.gz SWRXYSZEXRWRAH-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000168644334 134237433 /nfs/dbraw/zinc/23/74/33/134237433.db2.gz YVZRENFHRXHTCJ-NEPJUHHUSA-N 1 0 231.343 2.159 20 30 BEEDRO C=CCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374624827 134237634 /nfs/dbraw/zinc/23/76/34/134237634.db2.gz RCJSODNTPPMIFB-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000374678192 134237745 /nfs/dbraw/zinc/23/77/45/134237745.db2.gz KXTZESIJDSYCTF-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375393710 134239125 /nfs/dbraw/zinc/23/91/25/134239125.db2.gz YPMZAABAVCPQHZ-UHFFFAOYSA-N 1 0 219.332 2.474 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CC)C1 ZINC000305073613 134239996 /nfs/dbraw/zinc/23/99/96/134239996.db2.gz KFEBBWQOWISMAQ-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C ZINC000375750508 134240556 /nfs/dbraw/zinc/24/05/56/134240556.db2.gz MRJKKKVNWZHVOU-OLZOCXBDSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000375750517 134240701 /nfs/dbraw/zinc/24/07/01/134240701.db2.gz MRJKKKVNWZHVOU-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(C)C[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000305814622 134243001 /nfs/dbraw/zinc/24/30/01/134243001.db2.gz NXNJDHXYMHZGMV-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO N#CCCCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000377513629 134243959 /nfs/dbraw/zinc/24/39/59/134243959.db2.gz ZSEFYJXARUZPSE-UHFFFAOYSA-N 1 0 232.331 2.283 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1 ZINC000377551362 134244141 /nfs/dbraw/zinc/24/41/41/134244141.db2.gz WYNMLXQQQJYWSN-CYBMUJFWSA-N 1 0 229.323 2.136 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCOC[C@@H](C)C2)cc1 ZINC000377551363 134244451 /nfs/dbraw/zinc/24/44/51/134244451.db2.gz WYNMLXQQQJYWSN-ZDUSSCGKSA-N 1 0 229.323 2.136 20 30 BEEDRO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000378322716 134245888 /nfs/dbraw/zinc/24/58/88/134245888.db2.gz XGRKMXUNPKLGGA-YPMHNXCESA-N 1 0 217.316 2.162 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378507223 134246042 /nfs/dbraw/zinc/24/60/42/134246042.db2.gz FLEPLKSXZJLFTR-CABCVRRESA-N 1 0 229.323 2.377 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCCSCC#N ZINC000177902050 134301876 /nfs/dbraw/zinc/30/18/76/134301876.db2.gz ZUGMPUOQCDZVOW-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCSC2)CC1 ZINC000220710685 134310685 /nfs/dbraw/zinc/31/06/85/134310685.db2.gz SRLKJROMCCHXGJ-SNVBAGLBSA-N 1 0 210.346 2.165 20 30 BEEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2)CCCOC1 ZINC000221367797 134321637 /nfs/dbraw/zinc/32/16/37/134321637.db2.gz IDBVEQJMKAZPQX-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000181327462 134335912 /nfs/dbraw/zinc/33/59/12/134335912.db2.gz HRJPNVJEFOXYHI-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)C#N)C1CCOCC1 ZINC000225446151 134353513 /nfs/dbraw/zinc/35/35/13/134353513.db2.gz OMSXFLMFQUHIFF-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C)c(F)c1 ZINC000184264492 134361017 /nfs/dbraw/zinc/36/10/17/134361017.db2.gz WZZNGRBIICGNBP-LBPRGKRZSA-N 1 0 223.291 2.161 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185164510 134372273 /nfs/dbraw/zinc/37/22/73/134372273.db2.gz NEQZNTOLENMIJM-CQSZACIVSA-N 1 0 241.375 2.448 20 30 BEEDRO CC#CCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000309303866 134389670 /nfs/dbraw/zinc/38/96/70/134389670.db2.gz AFMOCDHZPAEBBP-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1(C)C ZINC000227830930 134389767 /nfs/dbraw/zinc/38/97/67/134389767.db2.gz TWUIOXVTSFJALY-KBPBESRZSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCSCC[NH2+]C1CCN(C2CC2)CC1 ZINC000309303594 134390215 /nfs/dbraw/zinc/39/02/15/134390215.db2.gz ZBVVINGRDAPNPH-UHFFFAOYSA-N 1 0 240.416 2.122 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCCOCC1 ZINC000221944970 134390281 /nfs/dbraw/zinc/39/02/81/134390281.db2.gz NUPVNICPZNWZDS-LLVKDONJSA-N 1 0 215.362 2.064 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309366636 134396858 /nfs/dbraw/zinc/39/68/58/134396858.db2.gz PRHXLZQSMYCLPZ-YNEHKIRRSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CN1C1CC1 ZINC000185859200 134397524 /nfs/dbraw/zinc/39/75/24/134397524.db2.gz QNGSKWVUNKUJDI-XJFOESAGSA-N 1 0 247.386 2.284 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000185858199 134397534 /nfs/dbraw/zinc/39/75/34/134397534.db2.gz BSYGIDSZQKVPKG-SGMGOOAPSA-N 1 0 236.359 2.473 20 30 BEEDRO COCCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185860249 134397617 /nfs/dbraw/zinc/39/76/17/134397617.db2.gz KKDAPJZWXWIAKW-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CN1C1CC1 ZINC000185859181 134397634 /nfs/dbraw/zinc/39/76/34/134397634.db2.gz QNGSKWVUNKUJDI-FQUUOJAGSA-N 1 0 247.386 2.284 20 30 BEEDRO COCCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185860231 134397990 /nfs/dbraw/zinc/39/79/90/134397990.db2.gz KKDAPJZWXWIAKW-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000309536373 134448312 /nfs/dbraw/zinc/44/83/12/134448312.db2.gz XBWIAIBDTNPHFC-GFCCVEGCSA-N 1 0 217.312 2.415 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309592485 134469164 /nfs/dbraw/zinc/46/91/64/134469164.db2.gz SSCSQNXUHCDNGI-FPMFFAJLSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H](C)C1 ZINC000187919849 134473599 /nfs/dbraw/zinc/47/35/99/134473599.db2.gz RRWCKGPTPNRNJR-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](CC)Cn1cncn1 ZINC000309716959 134480538 /nfs/dbraw/zinc/48/05/38/134480538.db2.gz UGLRSDYCFFIDOF-NEPJUHHUSA-N 1 0 222.336 2.001 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]CC(C)(C)CCC#N ZINC000230160031 134484311 /nfs/dbraw/zinc/48/43/11/134484311.db2.gz PDVCIVZICPYMIC-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](C)C[NH2+]C ZINC000237146392 134511575 /nfs/dbraw/zinc/51/15/75/134511575.db2.gz WUFSLCUCTOXTDN-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189593121 134548571 /nfs/dbraw/zinc/54/85/71/134548571.db2.gz UOZOVURHNOSPGG-SNVBAGLBSA-N 1 0 217.316 2.175 20 30 BEEDRO CCN(C)c1ccc(C[NH2+]CCCCC#N)cn1 ZINC000190949634 134565915 /nfs/dbraw/zinc/56/59/15/134565915.db2.gz YPVHCUHMLXDFNN-UHFFFAOYSA-N 1 0 246.358 2.321 20 30 BEEDRO N#CCCCC[NH2+]C1(CCO)CCCCC1 ZINC000309603044 134598837 /nfs/dbraw/zinc/59/88/37/134598837.db2.gz XCGXDOXWXTWCIN-UHFFFAOYSA-N 1 0 224.348 2.355 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309840723 134599512 /nfs/dbraw/zinc/59/95/12/134599512.db2.gz CZFZUFJSXPMENU-UMSGYPCISA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@@H+](C)CCCCCC(=O)OCC ZINC000121624729 134603251 /nfs/dbraw/zinc/60/32/51/134603251.db2.gz ZKCWQVRSDALUQS-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO CC#CCC[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000125561530 134608539 /nfs/dbraw/zinc/60/85/39/134608539.db2.gz LQAGNRGOWNHMPB-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(C#N)cs1 ZINC000135627860 134745060 /nfs/dbraw/zinc/74/50/60/134745060.db2.gz VRRAVTXNZHJKBU-UHFFFAOYSA-N 1 0 204.298 2.123 20 30 BEEDRO CCCCNC(=[NH2+])NCCC1=CCCC1 ZINC000133904779 134755432 /nfs/dbraw/zinc/75/54/32/134755432.db2.gz FVGRREGGPMYYKT-UHFFFAOYSA-N 1 0 209.337 2.191 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000300362966 134802824 /nfs/dbraw/zinc/80/28/24/134802824.db2.gz DEEVXHWKFXDLBC-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO COC(=O)CC[N@H+](CCCCC#N)CC(C)C ZINC000102398197 134834671 /nfs/dbraw/zinc/83/46/71/134834671.db2.gz GFIDCFPCVBFOPZ-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)C(C)(C)OC ZINC000300803789 134843672 /nfs/dbraw/zinc/84/36/72/134843672.db2.gz ARTMQHIBNXNYPN-SNVBAGLBSA-N 1 0 217.378 2.309 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CSC[C@H]1C ZINC000336642969 134861991 /nfs/dbraw/zinc/86/19/91/134861991.db2.gz DLCRFJQSSTWJNC-ZJUUUORDSA-N 1 0 217.403 2.247 20 30 BEEDRO CN(C)C(=[NH2+])NCCc1ccc2ccccc2c1 ZINC000170906886 134878789 /nfs/dbraw/zinc/87/87/89/134878789.db2.gz KASCCDWCQDKKIE-UHFFFAOYSA-N 1 0 241.338 2.259 20 30 BEEDRO Cc1ccccc1C(C)(C)CNC(=[NH2+])N(C)C ZINC000170912373 134880430 /nfs/dbraw/zinc/88/04/30/134880430.db2.gz SLROAWDSDDSBPQ-UHFFFAOYSA-N 1 0 233.359 2.149 20 30 BEEDRO CC(C)COCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336682594 134900526 /nfs/dbraw/zinc/90/05/26/134900526.db2.gz RYNZLPGUYWDRAO-QWHCGFSZSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000336745383 134925728 /nfs/dbraw/zinc/92/57/28/134925728.db2.gz QTWHIAQRXCXXCY-TZMCWYRMSA-N 1 0 219.328 2.002 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](C)CC(C)C ZINC000336745116 134925905 /nfs/dbraw/zinc/92/59/05/134925905.db2.gz AWERRFVAUDLRPY-CHWSQXEVSA-N 1 0 213.365 2.443 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000336746804 134926925 /nfs/dbraw/zinc/92/69/25/134926925.db2.gz BZPPCVWOTGDEAC-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO COCCC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336763136 134949523 /nfs/dbraw/zinc/94/95/23/134949523.db2.gz LZNDNSFYQVRFRV-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000336768598 134961417 /nfs/dbraw/zinc/96/14/17/134961417.db2.gz RBXREEZBCPMPPT-YNEHKIRRSA-N 1 0 227.348 2.125 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CCCC#N)C12CCC2 ZINC000336777049 134966291 /nfs/dbraw/zinc/96/62/91/134966291.db2.gz HKSDCMGMPATIFP-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCO1 ZINC000336780612 134967445 /nfs/dbraw/zinc/96/74/45/134967445.db2.gz RVIXWPWNONABEE-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CCO1 ZINC000336780614 134968354 /nfs/dbraw/zinc/96/83/54/134968354.db2.gz RVIXWPWNONABEE-MROQNXINSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CC)C1=O ZINC000337126424 135000781 /nfs/dbraw/zinc/00/07/81/135000781.db2.gz FXRPUGAHEDXEMG-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC2(C#N)CCOCC2)C1 ZINC000337139757 135001366 /nfs/dbraw/zinc/00/13/66/135001366.db2.gz QGJAJRRZCRJRAG-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CC)C2CCCC2)C1=O ZINC000337145999 135002823 /nfs/dbraw/zinc/00/28/23/135002823.db2.gz XWVKXVPZMHHNGK-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000248521505 135002860 /nfs/dbraw/zinc/00/28/60/135002860.db2.gz BNQIJXNJBTVZRD-XUJVJEKNSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)C2(C)CCCC2)C1=O ZINC000337199051 135005793 /nfs/dbraw/zinc/00/57/93/135005793.db2.gz AFPWWHNYHDOELO-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+]C(CC)(CC)CC)C1=O ZINC000337188203 135005806 /nfs/dbraw/zinc/00/58/06/135005806.db2.gz QPWWMRAHFIJAIT-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CC1CC[NH+](Cc2ccsc2)CC1 ZINC000070663904 135006881 /nfs/dbraw/zinc/00/68/81/135006881.db2.gz SZDXAJDFBZZLQO-UHFFFAOYSA-N 1 0 206.314 2.484 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)CCCC(C)C)C1=O ZINC000337215895 135006955 /nfs/dbraw/zinc/00/69/55/135006955.db2.gz YTVIELZIDSNELO-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO Cn1ccnc1[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000365661534 135007673 /nfs/dbraw/zinc/00/76/73/135007673.db2.gz HJENYEVPBHSKEL-ZDUSSCGKSA-N 1 0 246.358 2.293 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000337420850 135015371 /nfs/dbraw/zinc/01/53/71/135015371.db2.gz PTVMFSHFPUIRBP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337432247 135015931 /nfs/dbraw/zinc/01/59/31/135015931.db2.gz VKGDJZLQZPHXDC-BDAKNGLRSA-N 1 0 205.248 2.312 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000337459601 135016536 /nfs/dbraw/zinc/01/65/36/135016536.db2.gz JZQVNKKTVKZUDT-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO CCN(CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248730833 135020774 /nfs/dbraw/zinc/02/07/74/135020774.db2.gz DFGONDXVTIUMMT-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO C[N@H+](Cc1ccccc1)[C@H]1CCN(CCC#N)C1 ZINC000365750786 135021225 /nfs/dbraw/zinc/02/12/25/135021225.db2.gz HDMYKUYJLVHARI-HNNXBMFYSA-N 1 0 243.354 2.106 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248783656 135021925 /nfs/dbraw/zinc/02/19/25/135021925.db2.gz ICRXXAOUYAJOBL-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000365899290 135026114 /nfs/dbraw/zinc/02/61/14/135026114.db2.gz ZWGGPNVSSWODFS-CYBMUJFWSA-N 1 0 230.311 2.274 20 30 BEEDRO CN(C)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000112683178 135026764 /nfs/dbraw/zinc/02/67/64/135026764.db2.gz SIQOHFAWRYPZAS-UHFFFAOYSA-N 1 0 225.380 2.246 20 30 BEEDRO C=C(C[NH2+]Cc1ccnn1C)c1ccccc1 ZINC000112346856 135026920 /nfs/dbraw/zinc/02/69/20/135026920.db2.gz XUKKOVGHSLNCBO-UHFFFAOYSA-N 1 0 227.311 2.223 20 30 BEEDRO CCC[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248938163 135027699 /nfs/dbraw/zinc/02/76/99/135027699.db2.gz YNPRFNHMGPAATK-MGPQQGTHSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000112700913 135027933 /nfs/dbraw/zinc/02/79/33/135027933.db2.gz KUZFEFJNMJTSNW-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000338006084 135028358 /nfs/dbraw/zinc/02/83/58/135028358.db2.gz CPLIMGXDUJCFBS-MGPQQGTHSA-N 1 0 236.359 2.209 20 30 BEEDRO CC#CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000354180064 135029460 /nfs/dbraw/zinc/02/94/60/135029460.db2.gz PYQYKUPFHCCAKL-UHFFFAOYSA-N 1 0 247.729 2.491 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000338235127 135030948 /nfs/dbraw/zinc/03/09/48/135030948.db2.gz IECKGAMFPJPQLH-CHWSQXEVSA-N 1 0 240.347 2.011 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249112185 135033466 /nfs/dbraw/zinc/03/34/66/135033466.db2.gz BYYLMYJQSYXPFP-TZMCWYRMSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CC[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000338309288 135033941 /nfs/dbraw/zinc/03/39/41/135033941.db2.gz RFJRRDKGQXTYNJ-LBPRGKRZSA-N 1 0 213.321 2.038 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000338547001 135039254 /nfs/dbraw/zinc/03/92/54/135039254.db2.gz PZDHFLMNMOASPB-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO CC[N@H+](CCC(C)(C)C(=O)OC)C[C@@H](C)C#N ZINC000338545294 135039514 /nfs/dbraw/zinc/03/95/14/135039514.db2.gz XUPAZJLJVZUFIZ-NSHDSACASA-N 1 0 240.347 2.057 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593202 135041798 /nfs/dbraw/zinc/04/17/98/135041798.db2.gz PGFHUPPNLGUKHS-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593199 135042054 /nfs/dbraw/zinc/04/20/54/135042054.db2.gz PGFHUPPNLGUKHS-NEPJUHHUSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000338662918 135042850 /nfs/dbraw/zinc/04/28/50/135042850.db2.gz JYJRODVHSLQHIM-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1ccc(N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000250046959 135048523 /nfs/dbraw/zinc/04/85/23/135048523.db2.gz DJEQMPFTBJQSIH-HNNXBMFYSA-N 1 0 241.338 2.233 20 30 BEEDRO C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@H]21 ZINC000339020831 135053273 /nfs/dbraw/zinc/05/32/73/135053273.db2.gz IWNIZYDMVDJESE-KBUPBQIOSA-N 1 0 247.386 2.095 20 30 BEEDRO C=CCOCC[N@@H+](C(C)C)C1CCOCC1 ZINC000339037997 135053288 /nfs/dbraw/zinc/05/32/88/135053288.db2.gz BCSGNCJIFRNUCZ-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)C1 ZINC000339052273 135054339 /nfs/dbraw/zinc/05/43/39/135054339.db2.gz HCPXYJGWWQQRLO-YUELXQCFSA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([C@H]3CCOC3)C2)C1 ZINC000339050451 135054512 /nfs/dbraw/zinc/05/45/12/135054512.db2.gz OLGGWHIIHOHNDI-RFGFWPKPSA-N 1 0 234.343 2.037 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CC1 ZINC000339062859 135055162 /nfs/dbraw/zinc/05/51/62/135055162.db2.gz NIQCBEYKRWCJLQ-OAHLLOKOSA-N 1 0 249.329 2.380 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000339069587 135055790 /nfs/dbraw/zinc/05/57/90/135055790.db2.gz XTQTVIYHCZPZGP-MVWJERBFSA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000339087672 135056679 /nfs/dbraw/zinc/05/66/79/135056679.db2.gz MBVMNNZDTOLJEK-GXTWGEPZSA-N 1 0 247.338 2.343 20 30 BEEDRO C[C@@H]1C[N@H+](CCOCCC#N)[C@H]2CCCC[C@H]12 ZINC000339081504 135056680 /nfs/dbraw/zinc/05/66/80/135056680.db2.gz IQKXOQGNSBWPEH-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOCCN(C)CC[NH+](C(C)C)C(C)C ZINC000339080892 135056716 /nfs/dbraw/zinc/05/67/16/135056716.db2.gz JLXKZEIWJUXXJI-UHFFFAOYSA-N 1 0 242.407 2.240 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(CCCO)CC2)C1 ZINC000339081959 135056772 /nfs/dbraw/zinc/05/67/72/135056772.db2.gz PJZDTZAOIPZZAH-ZIAGYGMSSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339138191 135061580 /nfs/dbraw/zinc/06/15/80/135061580.db2.gz UWMBJGXTYRDNJQ-TUAOUCFPSA-N 1 0 224.373 2.364 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000339157700 135062402 /nfs/dbraw/zinc/06/24/02/135062402.db2.gz CJGKLONVISUIAZ-WDEREUQCSA-N 1 0 249.301 2.329 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000339157696 135062619 /nfs/dbraw/zinc/06/26/19/135062619.db2.gz CJGKLONVISUIAZ-GHMZBOCLSA-N 1 0 249.301 2.329 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@H](C3CCC3)C2)C1 ZINC000339217494 135067189 /nfs/dbraw/zinc/06/71/89/135067189.db2.gz YGFABWBIIJXZGS-YUELXQCFSA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC[C@@H](C3CCC3)C2)C1 ZINC000339217492 135067612 /nfs/dbraw/zinc/06/76/12/135067612.db2.gz YGFABWBIIJXZGS-SNPRPXQTSA-N 1 0 248.370 2.427 20 30 BEEDRO C=CC[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000339267952 135069084 /nfs/dbraw/zinc/06/90/84/135069084.db2.gz CJEOWSNPWMKHGE-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1nocc1C[NH2+]CC1CCC(C#N)CC1 ZINC000339387788 135072538 /nfs/dbraw/zinc/07/25/38/135072538.db2.gz PGVHPXFQCVKHAO-UHFFFAOYSA-N 1 0 233.315 2.403 20 30 BEEDRO C[C@H]1C[N@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC000339576716 135075695 /nfs/dbraw/zinc/07/56/95/135075695.db2.gz LXPUNWQDFWYXHL-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)[C@@H](C)CO ZINC000339627788 135076682 /nfs/dbraw/zinc/07/66/82/135076682.db2.gz BCIWCAXURPUBKY-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C=CCCC[NH2+][C@@H](CO)c1ccsc1 ZINC000308515491 135078567 /nfs/dbraw/zinc/07/85/67/135078567.db2.gz MYRKJGKHAFHRHZ-NSHDSACASA-N 1 0 211.330 2.337 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]CCCSCC#N ZINC000308594218 135079487 /nfs/dbraw/zinc/07/94/87/135079487.db2.gz XMRKLMYHSOIMRQ-WDEREUQCSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)[C@H]2CCCC[C@@H]21 ZINC000339733878 135079736 /nfs/dbraw/zinc/07/97/36/135079736.db2.gz MBRHCSZBRRYKQV-KBPBESRZSA-N 1 0 220.360 2.287 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCCC#N)C1(CO)CCC1 ZINC000339737653 135079829 /nfs/dbraw/zinc/07/98/29/135079829.db2.gz MECRKGQHABYOHE-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339818524 135083375 /nfs/dbraw/zinc/08/33/75/135083375.db2.gz CLTNGOUBRHJTBL-UONOGXRCSA-N 1 0 241.375 2.060 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000086500317 135088248 /nfs/dbraw/zinc/08/82/48/135088248.db2.gz DQYKDZUFEQAJIL-RYUDHWBXSA-N 1 0 236.340 2.013 20 30 BEEDRO N#CCC1CC[NH+](Cc2cccnc2)CC1 ZINC000259176476 135104168 /nfs/dbraw/zinc/10/41/68/135104168.db2.gz LJSZLJWNXJXBMU-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C)s1 ZINC000261725664 135111284 /nfs/dbraw/zinc/11/12/84/135111284.db2.gz GMBJQFNFAXQWKZ-QMMMGPOBSA-N 1 0 225.361 2.259 20 30 BEEDRO CSCc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000262184366 135117205 /nfs/dbraw/zinc/11/72/05/135117205.db2.gz XLESKQLSFRKVSV-UHFFFAOYSA-N 1 0 249.383 2.116 20 30 BEEDRO C[C@H]1C[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262301877 135117940 /nfs/dbraw/zinc/11/79/40/135117940.db2.gz QLAWQZMGAMGDHR-YUMQZZPRSA-N 1 0 239.269 2.347 20 30 BEEDRO CC1(C)C(CNC(=[NH2+])Nc2ccccn2)C1(C)C ZINC000262464471 135118771 /nfs/dbraw/zinc/11/87/71/135118771.db2.gz NIIBVDUJLPUYCP-UHFFFAOYSA-N 1 0 246.358 2.490 20 30 BEEDRO C[NH+]=C(N[C@H]1C[C@H]1C)N(C)Cc1cccc(F)c1 ZINC000262567080 135119552 /nfs/dbraw/zinc/11/95/52/135119552.db2.gz LXXPIJYHHBLBFL-MFKMUULPSA-N 1 0 249.333 2.241 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC(C)(C)c2cccc(F)c2)N1 ZINC000262628853 135119773 /nfs/dbraw/zinc/11/97/73/135119773.db2.gz FFMGMLNNVQWUMY-JTQLQIEISA-N 1 0 249.333 2.041 20 30 BEEDRO Cc1ccc(C(C)(C)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262664328 135120227 /nfs/dbraw/zinc/12/02/27/135120227.db2.gz NYEWVDDMRDPGAB-LBPRGKRZSA-N 1 0 245.370 2.210 20 30 BEEDRO Cc1ccc([C@@H](C)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262636421 135120309 /nfs/dbraw/zinc/12/03/09/135120309.db2.gz GYRNZFIQSNIYTN-RYUDHWBXSA-N 1 0 231.343 2.036 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000262671938 135120882 /nfs/dbraw/zinc/12/08/82/135120882.db2.gz PSLBSQLSJUFOMA-YUTCNCBUSA-N 1 0 245.370 2.320 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000262671935 135121075 /nfs/dbraw/zinc/12/10/75/135121075.db2.gz PSLBSQLSJUFOMA-FPMFFAJLSA-N 1 0 245.370 2.320 20 30 BEEDRO CN(C)C(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000262808408 135122789 /nfs/dbraw/zinc/12/27/89/135122789.db2.gz NUFWBDQVFDTWAZ-WDEREUQCSA-N 1 0 237.734 2.072 20 30 BEEDRO C[C@@H]1CCN(c2cccc(F)c2C#N)C[C@H]1C[NH3+] ZINC000253182671 135123175 /nfs/dbraw/zinc/12/31/75/135123175.db2.gz FZUIWLYSPACPKK-GHMZBOCLSA-N 1 0 247.317 2.118 20 30 BEEDRO C[NH+]=C(N[C@@H]1C[C@@H]1C)N1CCc2ccccc21 ZINC000263231736 135125869 /nfs/dbraw/zinc/12/58/69/135125869.db2.gz IHTXZDRSNLKPSX-CMPLNLGQSA-N 1 0 229.327 2.033 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C)cc1 ZINC000264056818 135130592 /nfs/dbraw/zinc/13/05/92/135130592.db2.gz BHWIVJZQVMDGMV-NSHDSACASA-N 1 0 219.332 2.198 20 30 BEEDRO C=CCNC(=[NH2+])NCC[C@@H](C)c1ccccc1 ZINC000264069257 135131169 /nfs/dbraw/zinc/13/11/69/135131169.db2.gz CSVCGVHXWNQSDN-GFCCVEGCSA-N 1 0 231.343 2.271 20 30 BEEDRO CNC(=[NH2+])NCc1cc(C)cc2c(C)c(C)[nH]c21 ZINC000264104013 135133439 /nfs/dbraw/zinc/13/34/39/135133439.db2.gz OXEKESWHXRECDN-UHFFFAOYSA-N 1 0 244.342 2.127 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCNc1ccccc1 ZINC000264125914 135134497 /nfs/dbraw/zinc/13/44/97/135134497.db2.gz WHKQTBMGFYULNQ-GFCCVEGCSA-N 1 0 248.374 2.191 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)c1ccc(F)cc1 ZINC000264121728 135134552 /nfs/dbraw/zinc/13/45/52/135134552.db2.gz VGGQSTPRBJGKTE-LLVKDONJSA-N 1 0 249.333 2.410 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(COC)cc1 ZINC000264128302 135134956 /nfs/dbraw/zinc/13/49/56/135134956.db2.gz WZWPTLKSPYDYFJ-LLVKDONJSA-N 1 0 249.358 2.036 20 30 BEEDRO CC(C)(CNC(=[NH2+])NC1CC1)c1ccc(F)cc1 ZINC000264252644 135137385 /nfs/dbraw/zinc/13/73/85/135137385.db2.gz HKFMZHHINVSJEJ-UHFFFAOYSA-N 1 0 249.333 2.170 20 30 BEEDRO Cc1ncn(Cc2ccc(OCC#N)cc2)c1C ZINC000264901794 135141172 /nfs/dbraw/zinc/14/11/72/135141172.db2.gz HYSKTYHUPWRJHS-UHFFFAOYSA-N 1 0 241.294 2.451 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCc1ccc(O)cc1 ZINC000267378434 135153652 /nfs/dbraw/zinc/15/36/52/135153652.db2.gz AMHRLUOJBNZWFS-LLVKDONJSA-N 1 0 249.358 2.028 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@@H](C)Oc1ccccc1 ZINC000267388800 135153935 /nfs/dbraw/zinc/15/39/35/135153935.db2.gz CLSWWQFLVNFCSR-GFCCVEGCSA-N 1 0 249.358 2.158 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(F)ccc1F ZINC000267443655 135154711 /nfs/dbraw/zinc/15/47/11/135154711.db2.gz POGVYFRSCYOYAR-MRVPVSSYSA-N 1 0 241.285 2.168 20 30 BEEDRO CSc1cc(C)ccc1CNC(=[NH2+])NC1CC1 ZINC000268084754 135157146 /nfs/dbraw/zinc/15/71/46/135157146.db2.gz QRYFXZRCGKUUCJ-UHFFFAOYSA-N 1 0 249.383 2.284 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000353314226 135158857 /nfs/dbraw/zinc/15/88/57/135158857.db2.gz OKZLMJMPLJOYEB-GFCCVEGCSA-N 1 0 232.327 2.219 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000087595189 135159302 /nfs/dbraw/zinc/15/93/02/135159302.db2.gz QRMHCWMXKGQAMI-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO COC[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608789 135160391 /nfs/dbraw/zinc/16/03/91/135160391.db2.gz VXDVDCZWZKWQNX-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)CC(C)(C)O1 ZINC000087595481 135160445 /nfs/dbraw/zinc/16/04/45/135160445.db2.gz BKJHLNLTXLUQMB-LLVKDONJSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)[N@@H+](Cc1ccccc1C#N)C[C@H](C)O ZINC000353387192 135163175 /nfs/dbraw/zinc/16/31/75/135163175.db2.gz NPGYRBXPYRPAAT-LBPRGKRZSA-N 1 0 232.327 2.149 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000269379667 135165512 /nfs/dbraw/zinc/16/55/12/135165512.db2.gz OUDHYMQZDHMYCE-UHFFFAOYSA-N 1 0 243.354 2.100 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000293809247 135183534 /nfs/dbraw/zinc/18/35/34/135183534.db2.gz OBHZELZJRDCXCB-JHJVBQTASA-N 1 0 244.342 2.281 20 30 BEEDRO N#CCCOCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000293734246 135183666 /nfs/dbraw/zinc/18/36/66/135183666.db2.gz GXAXSMDVVGCLOM-UHFFFAOYSA-N 1 0 248.248 2.111 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2c1NCC2 ZINC000261549200 135187816 /nfs/dbraw/zinc/18/78/16/135187816.db2.gz OISBAHZTXLDVBO-UHFFFAOYSA-N 1 0 202.301 2.272 20 30 BEEDRO C[C@@]1(C[NH3+])CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000261549287 135188419 /nfs/dbraw/zinc/18/84/19/135188419.db2.gz KICKXTOEAINHMN-ZDUSSCGKSA-N 1 0 249.745 2.387 20 30 BEEDRO Cc1cnn([C@H]2CC[N@@H+]([C@@H](C)CCC#N)C2)c1 ZINC000298052784 135197418 /nfs/dbraw/zinc/19/74/18/135197418.db2.gz FMBAWGXKWMNKTN-STQMWFEESA-N 1 0 232.331 2.131 20 30 BEEDRO CN1CC[NH+]=C1NCc1cccc2ccccc21 ZINC000261561941 135203496 /nfs/dbraw/zinc/20/34/96/135203496.db2.gz GGWVFZSMWSXIGT-UHFFFAOYSA-N 1 0 239.322 2.231 20 30 BEEDRO Cc1ccc(C#N)c(NCC2([NH3+])CCCCC2)n1 ZINC000261568463 135210422 /nfs/dbraw/zinc/21/04/22/135210422.db2.gz JCRMBSOTSZDVHH-UHFFFAOYSA-N 1 0 244.342 2.335 20 30 BEEDRO C[NH2+]CCNc1ccc(C(F)(F)F)c(C#N)c1 ZINC000164076110 135213327 /nfs/dbraw/zinc/21/33/27/135213327.db2.gz ACXMXZOWYPXDFU-UHFFFAOYSA-N 1 0 243.232 2.208 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000121169635 135222423 /nfs/dbraw/zinc/22/24/23/135222423.db2.gz FIWHAKSHJXTGBM-UHFFFAOYSA-N 1 0 218.300 2.263 20 30 BEEDRO C=CC[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000121451948 135223719 /nfs/dbraw/zinc/22/37/19/135223719.db2.gz APOICFDISBCOCN-UHFFFAOYSA-N 1 0 236.271 2.091 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](CCO)CSC)C1CC1 ZINC000121319273 135223807 /nfs/dbraw/zinc/22/38/07/135223807.db2.gz UUWDMEDTGYOWGM-QWHCGFSZSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000121570373 135225772 /nfs/dbraw/zinc/22/57/72/135225772.db2.gz ONZDGUYZYWCHLG-GFCCVEGCSA-N 1 0 225.719 2.491 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340696305 135226611 /nfs/dbraw/zinc/22/66/11/135226611.db2.gz LHGHQLSPICBOER-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000341361141 135236860 /nfs/dbraw/zinc/23/68/60/135236860.db2.gz HJECKHXRJLTDNA-HZSPNIEDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000341385046 135237827 /nfs/dbraw/zinc/23/78/27/135237827.db2.gz RZZJTHHGBGZJQR-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1cccnc1NCC1([NH3+])CCCCC1 ZINC000261547437 135240511 /nfs/dbraw/zinc/24/05/11/135240511.db2.gz IALFBAOXLBKAKW-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](CC)CCC ZINC000341770945 135242696 /nfs/dbraw/zinc/24/26/96/135242696.db2.gz XPTQIZKBWVVMSX-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[N@H+](CC(N)=O)[C@@H](C)c1ccccc1 ZINC000342109005 135248733 /nfs/dbraw/zinc/24/87/33/135248733.db2.gz LKBPIWYSEXTYNX-LBPRGKRZSA-N 1 0 232.327 2.111 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261844555 135256680 /nfs/dbraw/zinc/25/66/80/135256680.db2.gz PKKKNQWDABEWIS-JTQLQIEISA-N 1 0 247.333 2.372 20 30 BEEDRO CC[NH+]=C(NC1CC1)N1CC[C@](C)(CC)C1 ZINC000261863295 135258126 /nfs/dbraw/zinc/25/81/26/135258126.db2.gz ZQBCNONLSXGSTQ-ZDUSSCGKSA-N 1 0 223.364 2.236 20 30 BEEDRO CNC(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)=[NH+]C ZINC000261962888 135267509 /nfs/dbraw/zinc/26/75/09/135267509.db2.gz KQWRHLZLKIORLL-QJPTWQEYSA-N 1 0 223.364 2.140 20 30 BEEDRO [NH2+]=C(NC1CCC1)NC1CCCCCC1 ZINC000261974698 135267795 /nfs/dbraw/zinc/26/77/95/135267795.db2.gz FPIQHEFAGTVSGE-UHFFFAOYSA-N 1 0 209.337 2.166 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@@H]1c1ccccc1)N(C)C ZINC000261995637 135270481 /nfs/dbraw/zinc/27/04/81/135270481.db2.gz NPGJKIBIVRCIGE-CHWSQXEVSA-N 1 0 231.343 2.022 20 30 BEEDRO C=CCOc1cccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000262032252 135274448 /nfs/dbraw/zinc/27/44/48/135274448.db2.gz OEBXBNBZNMHLJT-IUODEOHRSA-N 1 0 246.354 2.030 20 30 BEEDRO C=CCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000262138361 135281702 /nfs/dbraw/zinc/28/17/02/135281702.db2.gz DSCDJXLZSFGFLW-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO CN(C(=[NH2+])NCc1ccc(Cl)s1)C1CC1 ZINC000262183547 135284351 /nfs/dbraw/zinc/28/43/51/135284351.db2.gz DZSOZFQXGLSDNW-UHFFFAOYSA-N 1 0 243.763 2.310 20 30 BEEDRO C[C@H]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262195434 135285446 /nfs/dbraw/zinc/28/54/46/135285446.db2.gz ROOWSTALNZDUKT-CMPLNLGQSA-N 1 0 223.364 2.127 20 30 BEEDRO C[C@@H]1CC[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262238317 135287026 /nfs/dbraw/zinc/28/70/26/135287026.db2.gz AZQYUOLMWMKCBO-GMSGAONNSA-N 1 0 239.269 2.490 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1)C1CC1 ZINC000262245067 135287061 /nfs/dbraw/zinc/28/70/61/135287061.db2.gz ONQSDDKYWGTMEK-TZMCWYRMSA-N 1 0 243.354 2.027 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CCC(C)CC1)C(C)(C)C ZINC000262257705 135288371 /nfs/dbraw/zinc/28/83/71/135288371.db2.gz FMSVKOVYTZAMOQ-GFCCVEGCSA-N 1 0 235.375 2.291 20 30 BEEDRO CCOC(=O)C[N@H+](CCCCC#N)C1CCC1 ZINC000342627656 135297492 /nfs/dbraw/zinc/29/74/92/135297492.db2.gz CWRYTRWRYWZXNY-UHFFFAOYSA-N 1 0 238.331 2.098 20 30 BEEDRO CC(C)CC1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000262369078 135297942 /nfs/dbraw/zinc/29/79/42/135297942.db2.gz IGWITFLLKRGEJC-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO CSC(C)(C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262502032 135303417 /nfs/dbraw/zinc/30/34/17/135303417.db2.gz AARVMDSLWKGSHU-SNVBAGLBSA-N 1 0 243.420 2.175 20 30 BEEDRO Cc1cc(C)cc(CC[NH+]=C(N(C)C)N(C)C)c1 ZINC000262523693 135308916 /nfs/dbraw/zinc/30/89/16/135308916.db2.gz JPTOGLQJJJUDSF-UHFFFAOYSA-N 1 0 247.386 2.325 20 30 BEEDRO CCC1(CNC2=[NH+]CCN2C)CCCCC1 ZINC000262627044 135309409 /nfs/dbraw/zinc/30/94/09/135309409.db2.gz DTMXFKQHBQXKBK-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO Cc1ccccc1[C@H]1C[C@H](NC2=[NH+]C[C@H](C)N2)C1 ZINC000262644469 135311319 /nfs/dbraw/zinc/31/13/19/135311319.db2.gz IQZUKEOVYLWXIL-AVGNSLFASA-N 1 0 243.354 2.178 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C3CC3)cc2)N1 ZINC000262653252 135311337 /nfs/dbraw/zinc/31/13/37/135311337.db2.gz KXCUBVBSKOQFBO-SNVBAGLBSA-N 1 0 229.327 2.001 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000262651760 135311450 /nfs/dbraw/zinc/31/14/50/135311450.db2.gz RNJDIBOSPHQKGB-MJHDQNEOSA-N 1 0 247.317 2.138 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCC2=CCCCCC2)N1 ZINC000262665253 135311818 /nfs/dbraw/zinc/31/18/18/135311818.db2.gz OIZMEGRNAYOJMA-LLVKDONJSA-N 1 0 221.348 2.204 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2cc3ccccc3s2)N1 ZINC000262663920 135311844 /nfs/dbraw/zinc/31/18/44/135311844.db2.gz NWUCWBVETUEACR-VIFPVBQESA-N 1 0 245.351 2.339 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2csc3ccccc23)N1 ZINC000262667125 135312514 /nfs/dbraw/zinc/31/25/14/135312514.db2.gz PFMQPSRVZUNCDE-VIFPVBQESA-N 1 0 245.351 2.339 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)NCc1cccc(C)c1 ZINC000342721446 135314318 /nfs/dbraw/zinc/31/43/18/135314318.db2.gz LZPPHNIVPHUZKB-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCCCC(F)(F)C1)NC1CC1 ZINC000262709861 135314536 /nfs/dbraw/zinc/31/45/36/135314536.db2.gz OZFVJQJVWGMJEF-VIFPVBQESA-N 1 0 245.317 2.269 20 30 BEEDRO CN1CC[NH+]=C1NC[C@@H]1CCCCC(F)(F)C1 ZINC000262703148 135314710 /nfs/dbraw/zinc/31/47/10/135314710.db2.gz LIGAKRQIAXGNNJ-SNVBAGLBSA-N 1 0 245.317 2.093 20 30 BEEDRO C=CCCN(C)CC(=O)c1cc(C)[nH]c1C ZINC000342719395 135314987 /nfs/dbraw/zinc/31/49/87/135314987.db2.gz IZLQHXGZPSIIFY-UHFFFAOYSA-N 1 0 220.316 2.322 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N(CC(C)C)C(C)C ZINC000342727590 135315633 /nfs/dbraw/zinc/31/56/33/135315633.db2.gz VIEYBCCWQDPYBF-UHFFFAOYSA-N 1 0 240.391 2.387 20 30 BEEDRO C[NH+]=C(NC1CCC1)N1CC[C@H](CC(C)C)C1 ZINC000262781020 135318024 /nfs/dbraw/zinc/31/80/24/135318024.db2.gz KYTOCFZESUHFPS-GFCCVEGCSA-N 1 0 237.391 2.482 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCC(C)(C)C2)N1 ZINC000263049436 135329010 /nfs/dbraw/zinc/32/90/10/135329010.db2.gz DGVAMKQVZXODBH-MNOVXSKESA-N 1 0 223.364 2.140 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCCCC1(F)F)NC1CCC1 ZINC000263044783 135329076 /nfs/dbraw/zinc/32/90/76/135329076.db2.gz CUJZDUGNRLDUAT-SECBINFHSA-N 1 0 245.317 2.269 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[C@H]2C2CC2)C1 ZINC000263046832 135329098 /nfs/dbraw/zinc/32/90/98/135329098.db2.gz DBDDSIDXAVIYEN-DRZSPHRISA-N 1 0 235.375 2.079 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]1C1CCC1)NC1CCCC1 ZINC000263061067 135330125 /nfs/dbraw/zinc/33/01/25/135330125.db2.gz MSYKDWLOPIZENX-AAEUAGOBSA-N 1 0 235.375 2.270 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1CCC[C@H]1C1CC1)N(C)C ZINC000263065549 135330612 /nfs/dbraw/zinc/33/06/12/135330612.db2.gz GEALWOILBAQGJG-OLZOCXBDSA-N 1 0 237.391 2.292 20 30 BEEDRO [NH2+]=C(NCC1(C2CCC2)CCC1)NC1CCC1 ZINC000263074493 135330999 /nfs/dbraw/zinc/33/09/99/135330999.db2.gz HBEBDNZSBRQUGD-UHFFFAOYSA-N 1 0 235.375 2.414 20 30 BEEDRO CC[C@@H]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263078926 135331062 /nfs/dbraw/zinc/33/10/62/135331062.db2.gz HNMHYXJXAHPVGB-NEPJUHHUSA-N 1 0 225.380 2.292 20 30 BEEDRO C[C@@H]1CCC[C@@H](CNC2=[NH+]CCCN2C)[C@H]1C ZINC000263075549 135331178 /nfs/dbraw/zinc/33/11/78/135331178.db2.gz HDQHHNVZQMZTFV-AGIUHOORSA-N 1 0 237.391 2.340 20 30 BEEDRO Cc1cccc(NC(=[NH2+])N[C@H]2CC23CC3)c1 ZINC000263088294 135332108 /nfs/dbraw/zinc/33/21/08/135332108.db2.gz SYWLXDONOMWAOF-NSHDSACASA-N 1 0 215.300 2.274 20 30 BEEDRO CC(C)[C@@]1(C)C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000263111179 135333360 /nfs/dbraw/zinc/33/33/60/135333360.db2.gz LCUAJTFWHTVOFK-DGCLKSJQSA-N 1 0 223.364 2.125 20 30 BEEDRO CC(C)[C@@]1(C)C[C@@H]1NC(=[NH2+])NCC1CCC1 ZINC000263111181 135333532 /nfs/dbraw/zinc/33/35/32/135333532.db2.gz LCUAJTFWHTVOFK-WCQYABFASA-N 1 0 223.364 2.125 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]1C1CC1)N1CCCCCC1 ZINC000263111057 135333753 /nfs/dbraw/zinc/33/37/53/135333753.db2.gz LAFRQFJEBGXKEB-STQMWFEESA-N 1 0 235.375 2.223 20 30 BEEDRO Cc1csc(CNC(=[NH2+])NC2CCCC2)c1 ZINC000263148680 135335327 /nfs/dbraw/zinc/33/53/27/135335327.db2.gz LIGLFNUGANFTJB-UHFFFAOYSA-N 1 0 237.372 2.403 20 30 BEEDRO CN(C(=[NH2+])NCC1(C2CCC2)CCC1)C1CC1 ZINC000263150395 135335704 /nfs/dbraw/zinc/33/57/04/135335704.db2.gz PIRAJKMQFNLIEY-UHFFFAOYSA-N 1 0 235.375 2.366 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263155109 135336320 /nfs/dbraw/zinc/33/63/20/135336320.db2.gz PWWXOYRCXIJHOP-GHMZBOCLSA-N 1 0 232.331 2.243 20 30 BEEDRO CN(C)C(=[NH+]CCC(C)(C)C1CC1)N(C)C ZINC000263179053 135337640 /nfs/dbraw/zinc/33/76/40/135337640.db2.gz UAOAAVLKXDZHPQ-UHFFFAOYSA-N 1 0 225.380 2.292 20 30 BEEDRO [NH2+]=C(NCC1CCCCCC1)NC1CCC1 ZINC000263187265 135337704 /nfs/dbraw/zinc/33/77/04/135337704.db2.gz VATKERNNKMXKCJ-UHFFFAOYSA-N 1 0 223.364 2.414 20 30 BEEDRO CC(C)SCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000263177821 135338223 /nfs/dbraw/zinc/33/82/23/135338223.db2.gz UNTCVLVZDWACDS-NSHDSACASA-N 1 0 243.420 2.175 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@@H]1CCC[C@H]1C1CC1 ZINC000263197584 135338383 /nfs/dbraw/zinc/33/83/83/135338383.db2.gz WSNYTEVHTVDULH-STQMWFEESA-N 1 0 235.375 2.094 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccccc1F)NC1CCC1 ZINC000263199581 135338464 /nfs/dbraw/zinc/33/84/64/135338464.db2.gz XAEFADQHOYWKJC-WCQYABFASA-N 1 0 247.317 2.138 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1cccc(C#N)c1 ZINC000334306986 135349401 /nfs/dbraw/zinc/34/94/01/135349401.db2.gz DQMYGZVTLLOPPP-CHWSQXEVSA-N 1 0 243.354 2.083 20 30 BEEDRO CNC(NCc1ccccc1C(F)(F)F)=[NH+]C ZINC000263962605 135361773 /nfs/dbraw/zinc/36/17/73/135361773.db2.gz KPPPARHSFPZENE-UHFFFAOYSA-N 1 0 245.248 2.000 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cccc(CO)c1 ZINC000273184884 135366009 /nfs/dbraw/zinc/36/60/09/135366009.db2.gz FSWIAPXDKACAFF-LLVKDONJSA-N 1 0 218.300 2.133 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1cccnc1 ZINC000276350493 135367304 /nfs/dbraw/zinc/36/73/04/135367304.db2.gz WICQKFPYUSDLMZ-MNOVXSKESA-N 1 0 203.289 2.424 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1CO ZINC000334348936 135368007 /nfs/dbraw/zinc/36/80/07/135368007.db2.gz ZLHQTNFCCSHLGV-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO N#CCN(CC1CCOCC1)C1CCCC1 ZINC000080215392 135368418 /nfs/dbraw/zinc/36/84/18/135368418.db2.gz BVUZWVRHPCUORX-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)nn1C ZINC000284119987 135371449 /nfs/dbraw/zinc/37/14/49/135371449.db2.gz CNIHBEKTSLYXON-ZYHUDNBSSA-N 1 0 221.348 2.419 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(CC)s1)C(C)C ZINC000289077131 135373424 /nfs/dbraw/zinc/37/34/24/135373424.db2.gz AQZCYRBSYBYHRG-NSHDSACASA-N 1 0 222.357 2.453 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)on1 ZINC000290809280 135374978 /nfs/dbraw/zinc/37/49/78/135374978.db2.gz WDOZYKUUUJVEHY-LLVKDONJSA-N 1 0 206.289 2.437 20 30 BEEDRO COc1ccc([C@H](C)[NH2+]CCOCCC#N)cc1 ZINC000293778107 135377141 /nfs/dbraw/zinc/37/71/41/135377141.db2.gz LOTLKGBCRJMMEA-LBPRGKRZSA-N 1 0 248.326 2.276 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000293853180 135377711 /nfs/dbraw/zinc/37/77/11/135377711.db2.gz CUBZQRWUDNXPCQ-QWRGUYRKSA-N 1 0 237.372 2.398 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccnc(Br)c1 ZINC000294766861 135377958 /nfs/dbraw/zinc/37/79/58/135377958.db2.gz YVZIMDNCFLYHSS-UHFFFAOYSA-N 1 0 241.132 2.462 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ncc(C)s1 ZINC000294608934 135378021 /nfs/dbraw/zinc/37/80/21/135378021.db2.gz OBAYFUPLBTYRGC-SNVBAGLBSA-N 1 0 226.345 2.305 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ncc(C)s1 ZINC000294608920 135378046 /nfs/dbraw/zinc/37/80/46/135378046.db2.gz OBAYFUPLBTYRGC-JTQLQIEISA-N 1 0 226.345 2.305 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)[C@H](C)CC=C ZINC000294869055 135378188 /nfs/dbraw/zinc/37/81/88/135378188.db2.gz COWNPCVWQFDUQF-ZIAGYGMSSA-N 1 0 222.376 2.132 20 30 BEEDRO C=CCNC(=O)C[NH2+]C(C)(C)CC(C)(C)C ZINC000077183244 135391293 /nfs/dbraw/zinc/39/12/93/135391293.db2.gz NJTVYANFFUCNPS-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164568394 135403228 /nfs/dbraw/zinc/40/32/28/135403228.db2.gz IEZNBAFCAJNUMJ-WOPDTQHZSA-N 1 0 232.327 2.226 20 30 BEEDRO N#CCc1ccc(C[NH2+]C2(CO)CCCC2)cc1 ZINC000342715800 135446660 /nfs/dbraw/zinc/44/66/60/135446660.db2.gz CZDJIRFUVFDRCU-UHFFFAOYSA-N 1 0 244.338 2.147 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000090451193 135549310 /nfs/dbraw/zinc/54/93/10/135549310.db2.gz UJANWVNDFFPCAX-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000136056605 135605799 /nfs/dbraw/zinc/60/57/99/135605799.db2.gz RKCKOLQREKEQOR-GFCCVEGCSA-N 1 0 234.347 2.224 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1ccc(F)cc1 ZINC000289875246 135625814 /nfs/dbraw/zinc/62/58/14/135625814.db2.gz RRCGPLMJGCHMKF-BXUZGUMPSA-N 1 0 237.318 2.283 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCc1cnn(C)n1)C1CC1 ZINC000293674614 135669976 /nfs/dbraw/zinc/66/99/76/135669976.db2.gz JTVOSANALARWGA-AWEZNQCLSA-N 1 0 248.374 2.082 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@@H](C3CC3)C2)CC1 ZINC000335294088 136005456 /nfs/dbraw/zinc/00/54/56/136005456.db2.gz RCWATAZLXGGFDS-GFCCVEGCSA-N 1 0 204.317 2.412 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000347971866 136022832 /nfs/dbraw/zinc/02/28/32/136022832.db2.gz ZNCSBJLIFDQLMC-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000348026977 136026831 /nfs/dbraw/zinc/02/68/31/136026831.db2.gz BBDOMGZAZXRCQH-GFCCVEGCSA-N 1 0 235.331 2.139 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@H]1CSC ZINC000348045707 136029423 /nfs/dbraw/zinc/02/94/23/136029423.db2.gz CLPLDMPRIYLGRO-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000348047092 136030169 /nfs/dbraw/zinc/03/01/69/136030169.db2.gz LBWSWVJXFMZAHO-BETUJISGSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCCC[NH2+]C1(CCO)CCCCC1 ZINC000348049038 136030426 /nfs/dbraw/zinc/03/04/26/136030426.db2.gz IDWXLBPOCBWIMR-UHFFFAOYSA-N 1 0 241.375 2.254 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000348052370 136030957 /nfs/dbraw/zinc/03/09/57/136030957.db2.gz OITGJCRUWVHONN-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000348158838 136041211 /nfs/dbraw/zinc/04/12/11/136041211.db2.gz IRIGZANOBFROSP-AVGNSLFASA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@@H]1CCSCC[N@@H+]1CCCSCC#N ZINC000348161812 136041514 /nfs/dbraw/zinc/04/15/14/136041514.db2.gz SEOSEBGMVPYACZ-LLVKDONJSA-N 1 0 244.429 2.461 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]2C(F)F)c1 ZINC000348213663 136045826 /nfs/dbraw/zinc/04/58/26/136045826.db2.gz AANKOBYHRKUZKU-GHMZBOCLSA-N 1 0 222.238 2.301 20 30 BEEDRO C=CCOCCC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000348194401 136050436 /nfs/dbraw/zinc/05/04/36/136050436.db2.gz QZCAZYOXBWBRRG-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@H](C[NH+](C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000348286946 136061766 /nfs/dbraw/zinc/06/17/66/136061766.db2.gz HBSIOYUBSCVNDW-MNOVXSKESA-N 1 0 249.333 2.298 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CO1 ZINC000335391554 136090905 /nfs/dbraw/zinc/09/09/05/136090905.db2.gz YSIXKMHWCDYDTF-GMKTYKIGSA-N 1 0 222.332 2.226 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCCOC1 ZINC000348708252 136116664 /nfs/dbraw/zinc/11/66/64/136116664.db2.gz KSNXJFXGFDVARS-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@]12CCOC2 ZINC001172499333 974850743 /nfs/dbraw/zinc/85/07/43/974850743.db2.gz WGYQVLIOHBFHJR-OLZOCXBDSA-N 1 0 222.332 2.324 20 30 BEEDRO N#CCC[NH2+]CCc1cc(F)cc(F)c1 ZINC000060718592 322858212 /nfs/dbraw/zinc/85/82/12/322858212.db2.gz QNRJBZIVXFZESW-UHFFFAOYSA-N 1 0 210.227 2.011 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000491668019 397849369 /nfs/dbraw/zinc/84/93/69/397849369.db2.gz NSXRICFZVUMATR-NEPJUHHUSA-N 1 0 221.348 2.045 20 30 BEEDRO Cc1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000309189276 397852427 /nfs/dbraw/zinc/85/24/27/397852427.db2.gz PJNDZYAENSYGCB-VHSXEESVSA-N 1 0 221.329 2.233 20 30 BEEDRO C#CC[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC000491736826 397865218 /nfs/dbraw/zinc/86/52/18/397865218.db2.gz GXAAPCSVMAJDLZ-INIZCTEOSA-N 1 0 243.350 2.374 20 30 BEEDRO C=CCCC[N@@H+](C)CCc1cncc(C)n1 ZINC000649537236 397927676 /nfs/dbraw/zinc/92/76/76/397927676.db2.gz YAPWKVXAFZRWCN-UHFFFAOYSA-N 1 0 219.332 2.226 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000444750181 397942833 /nfs/dbraw/zinc/94/28/33/397942833.db2.gz YSZWKHBVTZCVCM-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523100 397950751 /nfs/dbraw/zinc/95/07/51/397950751.db2.gz VRHIFLHCPJDFRY-ZNMIVQPWSA-N 1 0 248.370 2.329 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCC[C@H]1O ZINC000286475677 397992902 /nfs/dbraw/zinc/99/29/02/397992902.db2.gz LDEFHTNXOJDOQQ-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623386 397993305 /nfs/dbraw/zinc/99/33/05/397993305.db2.gz OOQVKEGIGXRPMC-KGLIPLIRSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623387 397993326 /nfs/dbraw/zinc/99/33/26/397993326.db2.gz OOQVKEGIGXRPMC-UONOGXRCSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[C@](C)(C#N)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414625900 397996828 /nfs/dbraw/zinc/99/68/28/397996828.db2.gz XHBMPCHKJUAPTM-BXKDBHETSA-N 1 0 236.319 2.307 20 30 BEEDRO CC[C@@](C)(C#N)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414625901 397996934 /nfs/dbraw/zinc/99/69/34/397996934.db2.gz XHBMPCHKJUAPTM-CABZTGNLSA-N 1 0 236.319 2.307 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccccc1C)C(C)C ZINC000491508419 398045220 /nfs/dbraw/zinc/04/52/20/398045220.db2.gz ZUYSKWFXCQMBED-CABCVRRESA-N 1 0 231.339 2.276 20 30 BEEDRO Cc1ccccc1C[NH+]1CC(CC#N)C1 ZINC000597194532 398011389 /nfs/dbraw/zinc/01/13/89/398011389.db2.gz UOFGLVSPRKNNLY-UHFFFAOYSA-N 1 0 200.285 2.341 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000645960439 398013085 /nfs/dbraw/zinc/01/30/85/398013085.db2.gz YHDBZQVOEQVBCH-GJZGRUSLSA-N 1 0 247.338 2.077 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000491119344 398032485 /nfs/dbraw/zinc/03/24/85/398032485.db2.gz IKLQDAZYERKGMO-LLVKDONJSA-N 1 0 243.285 2.295 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000491119345 398032896 /nfs/dbraw/zinc/03/28/96/398032896.db2.gz IKLQDAZYERKGMO-NSHDSACASA-N 1 0 243.285 2.295 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CCCO1 ZINC000035056228 397970149 /nfs/dbraw/zinc/97/01/49/397970149.db2.gz SNAHFXSNHJUNDD-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO CS[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000451324674 397973180 /nfs/dbraw/zinc/97/31/80/397973180.db2.gz LQGSVRNTRWQXMP-GARJFASQSA-N 1 0 210.346 2.116 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000451771207 397982963 /nfs/dbraw/zinc/98/29/63/397982963.db2.gz GTYHNMKOCNPVBY-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO CC#CCC[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649718036 398059354 /nfs/dbraw/zinc/05/93/54/398059354.db2.gz QQOBLSSXUFMDBF-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(CCC)c1)C(C)(C)C ZINC000491675640 398059709 /nfs/dbraw/zinc/05/97/09/398059709.db2.gz UVSNZCGYCDSBFI-CYBMUJFWSA-N 1 0 233.359 2.431 20 30 BEEDRO CC#CCC[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649718970 398061639 /nfs/dbraw/zinc/06/16/39/398061639.db2.gz JVLDPHDNEQSFJU-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C[NH2+]CCCOc1cc(Cl)cc(C#N)c1 ZINC000309059098 398065217 /nfs/dbraw/zinc/06/52/17/398065217.db2.gz UWROVTYVGCDZBC-UHFFFAOYSA-N 1 0 224.691 2.200 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000491789495 398069652 /nfs/dbraw/zinc/06/96/52/398069652.db2.gz VBUUPRBRUFFOMZ-SNVBAGLBSA-N 1 0 229.283 2.123 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271958933 398082672 /nfs/dbraw/zinc/08/26/72/398082672.db2.gz QRTRZTJGNUIVNW-NXEZZACHSA-N 1 0 236.290 2.119 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)O ZINC000292915936 398085787 /nfs/dbraw/zinc/08/57/87/398085787.db2.gz FTRPEKYNIHMGQI-CYBMUJFWSA-N 1 0 232.327 2.197 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@H](O)C(C)C)ccc1C#N ZINC000443982169 398086050 /nfs/dbraw/zinc/08/60/50/398086050.db2.gz DENUINVGORVMGN-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCc1ccccc1)C(C)C ZINC000491642663 398053816 /nfs/dbraw/zinc/05/38/16/398053816.db2.gz XYYRGYAPVDOXAL-AWEZNQCLSA-N 1 0 243.354 2.001 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649717871 398059275 /nfs/dbraw/zinc/05/92/75/398059275.db2.gz OCTHIURPULBJHV-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C[NH+](C)CCSc1nccc(C#N)c1Cl ZINC000234296002 398103231 /nfs/dbraw/zinc/10/32/31/398103231.db2.gz VYWOFSMGUJJNSF-UHFFFAOYSA-N 1 0 241.747 2.260 20 30 BEEDRO CO[C@H]1CC[N@H+](CC2(CC#N)CC2)[C@@H](C)C1 ZINC000304155028 398107076 /nfs/dbraw/zinc/10/70/76/398107076.db2.gz IZGVSPGDXUEWIW-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2(CC#N)CC2)[C@@H](C)C1 ZINC000304155027 398107125 /nfs/dbraw/zinc/10/71/25/398107125.db2.gz IZGVSPGDXUEWIW-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)CC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609485264 398111885 /nfs/dbraw/zinc/11/18/85/398111885.db2.gz LZZNDTUKOHKEFN-CQSZACIVSA-N 1 0 237.391 2.198 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(C2CCC2)CC1 ZINC000649805966 398113429 /nfs/dbraw/zinc/11/34/29/398113429.db2.gz IMMFFAMXHBBNPN-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000449161759 398124279 /nfs/dbraw/zinc/12/42/79/398124279.db2.gz PLIGJTFVEKCFHZ-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H](C)OCC12CCC2 ZINC000649822222 398124518 /nfs/dbraw/zinc/12/45/18/398124518.db2.gz ALSDJEJMUNWQNI-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)o1)C[C@@H]1CCOC1 ZINC000611256675 398125930 /nfs/dbraw/zinc/12/59/30/398125930.db2.gz MVCIMEQLPLXLMV-NSHDSACASA-N 1 0 234.299 2.010 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[N@@H+]1[C@H](C)CCCC#N ZINC001172500393 974854476 /nfs/dbraw/zinc/85/44/76/974854476.db2.gz NESIPGBNJVASAD-NEPJUHHUSA-N 1 0 238.331 2.096 20 30 BEEDRO CC[N@H+](CCn1cccn1)[C@@H](C)CCCC#N ZINC001172503149 974855589 /nfs/dbraw/zinc/85/55/89/974855589.db2.gz YEXGBMWIKABJLT-ZDUSSCGKSA-N 1 0 234.347 2.287 20 30 BEEDRO C#CC[N@@H+](CCOc1cccc(OC)c1)C(C)C ZINC001648397689 1172829498 /nfs/dbraw/zinc/82/94/98/1172829498.db2.gz KCAPCIZLJOGTGG-UHFFFAOYSA-N 1 0 247.338 2.418 20 30 BEEDRO C#CCC[NH2+][C@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001648616824 1172853285 /nfs/dbraw/zinc/85/32/85/1172853285.db2.gz HDUYKDGVKFDNBI-CJNGLKHVSA-N 1 0 243.350 2.384 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)C1(CO)CC1 ZINC000668801968 487565206 /nfs/dbraw/zinc/56/52/06/487565206.db2.gz OKHYDDWYJPGCAP-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](C)CO ZINC000120723983 490067836 /nfs/dbraw/zinc/06/78/36/490067836.db2.gz URZKDCHNYVEKIR-AWEZNQCLSA-N 1 0 233.355 2.346 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCCN2C)C1 ZINC000661383493 487570789 /nfs/dbraw/zinc/57/07/89/487570789.db2.gz DJEFMEXGAHLPDJ-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)sc1C ZINC000393662119 487576854 /nfs/dbraw/zinc/57/68/54/487576854.db2.gz YHKFREHOKQFYDD-LLVKDONJSA-N 1 0 211.330 2.001 20 30 BEEDRO CC(C)OCC[NH2+]Cc1ccc(C#N)cc1F ZINC000168955652 167241808 /nfs/dbraw/zinc/24/18/08/167241808.db2.gz XTRWVKYMXUFRPU-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000279184904 166110773 /nfs/dbraw/zinc/11/07/73/166110773.db2.gz DFYYEGQQUGJKBQ-UHFFFAOYSA-N 1 0 244.338 2.489 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000069767975 166148782 /nfs/dbraw/zinc/14/87/82/166148782.db2.gz FNNOBZXVWUBBQP-SNVBAGLBSA-N 1 0 218.256 2.269 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000069767491 166149524 /nfs/dbraw/zinc/14/95/24/166149524.db2.gz YHGBVPKZFWVJTM-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001651667889 1172974083 /nfs/dbraw/zinc/97/40/83/1172974083.db2.gz MAIWQUZQPUQTFJ-UNXYVOJBSA-N 1 0 205.305 2.208 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000150733801 166126910 /nfs/dbraw/zinc/12/69/10/166126910.db2.gz KCAUQRBBIZXPHV-UHFFFAOYSA-N 1 0 245.322 2.351 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnn2ccccc12 ZINC000177155526 166127207 /nfs/dbraw/zinc/12/72/07/166127207.db2.gz OQMSZOCXQASFHO-UHFFFAOYSA-N 1 0 227.311 2.227 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](CC(C)C)OC ZINC000568181393 322921093 /nfs/dbraw/zinc/92/10/93/322921093.db2.gz RQXLGQGTQYNTMY-NWDGAFQWSA-N 1 0 212.337 2.329 20 30 BEEDRO C#CCCC[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000273037123 166127841 /nfs/dbraw/zinc/12/78/41/166127841.db2.gz VSRARBJFCIBWPP-UHFFFAOYSA-N 1 0 231.343 2.311 20 30 BEEDRO C#CCCC[N@@H+](C)CCc1ncc(C)s1 ZINC000271077866 166129030 /nfs/dbraw/zinc/12/90/30/166129030.db2.gz XMYLIJFKZMNKNN-UHFFFAOYSA-N 1 0 222.357 2.339 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000270992745 166131161 /nfs/dbraw/zinc/13/11/61/166131161.db2.gz DZHOQFUGDMQETL-LBPRGKRZSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CCCC[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000273224917 166132511 /nfs/dbraw/zinc/13/25/11/166132511.db2.gz CLLBEHFNARLBQX-PBHICJAKSA-N 1 0 249.379 2.109 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000270529580 166134368 /nfs/dbraw/zinc/13/43/68/166134368.db2.gz FFPHJRHAYUVFNA-SJCJKPOMSA-N 1 0 249.379 2.440 20 30 BEEDRO C#CCC[N@H+](C)CCOc1cccc(C)c1 ZINC000268753429 166134274 /nfs/dbraw/zinc/13/42/74/166134274.db2.gz XQVBIUNFPQUAKA-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000270572249 166134474 /nfs/dbraw/zinc/13/44/74/166134474.db2.gz GVGOUOXVKCQISY-HNNXBMFYSA-N 1 0 213.324 2.499 20 30 BEEDRO C#CCC[N@H+](C)CCOCc1ccccc1 ZINC000270584401 166135476 /nfs/dbraw/zinc/13/54/76/166135476.db2.gz JDJYBUYQESHVFX-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C#CCC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000270559956 166135534 /nfs/dbraw/zinc/13/55/34/166135534.db2.gz WWSLJEBRFIUXLH-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000270623335 166135117 /nfs/dbraw/zinc/13/51/17/166135117.db2.gz PCTOWJBIJKSHSP-UHFFFAOYSA-N 1 0 218.256 2.050 20 30 BEEDRO C#CCC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000279157495 166136503 /nfs/dbraw/zinc/13/65/03/166136503.db2.gz ZKYVXWDVEFSVPE-UHFFFAOYSA-N 1 0 231.343 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219.288 2.109 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000653162269 410098408 /nfs/dbraw/zinc/09/84/08/410098408.db2.gz WNMZLMKCXJTVPP-DGCLKSJQSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccnn1CC ZINC000663470410 410268676 /nfs/dbraw/zinc/26/86/76/410268676.db2.gz OOEOENOMPAASEK-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000661152430 410304086 /nfs/dbraw/zinc/30/40/86/410304086.db2.gz FDTLFTYXKNDBAQ-LBPRGKRZSA-N 1 0 234.343 2.371 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000159189657 410448672 /nfs/dbraw/zinc/44/86/72/410448672.db2.gz NSIJUKDRLXYACZ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174951960 166161415 /nfs/dbraw/zinc/16/14/15/166161415.db2.gz DVUADTCGQIVEEV-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO C#CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000157171291 166191909 /nfs/dbraw/zinc/19/19/09/166191909.db2.gz BRFUXSUZMVTZNV-HOCLYGCPSA-N 1 0 242.366 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C#C[C@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000166368206 166216873 /nfs/dbraw/zinc/21/68/73/166216873.db2.gz CKILQVRHNOXXJO-NSHDSACASA-N 1 0 203.285 2.197 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](CC)C(=O)OCC ZINC000173483885 166233020 /nfs/dbraw/zinc/23/30/20/166233020.db2.gz DQRGNVHAAYSDSE-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000156463389 166233156 /nfs/dbraw/zinc/23/31/56/166233156.db2.gz KUQVMHWGTKKPEN-HNNXBMFYSA-N 1 0 244.338 2.490 20 30 BEEDRO C=CCCC[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000172173977 166234058 /nfs/dbraw/zinc/23/40/58/166234058.db2.gz QCGVWJKVBVMKLF-UHFFFAOYSA-N 1 0 249.358 2.067 20 30 BEEDRO C=CCCC[NH2+]C1(CC(=O)OC)CCCC1 ZINC000336775383 166241614 /nfs/dbraw/zinc/24/16/14/166241614.db2.gz YVWUIAFBSAHNTA-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=CCCN(C)C(=O)[C@H](CCC)[NH2+]C(C)C ZINC000309414080 166252976 /nfs/dbraw/zinc/25/29/76/166252976.db2.gz CIQHRXGUQFWJDP-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)CCCCC(=O)OCC 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/nfs/dbraw/zinc/35/39/53/166353953.db2.gz DHNCDDMMZSNBIR-UHFFFAOYSA-N 1 0 232.327 2.419 20 30 BEEDRO C=CC[N@@H+]1CCc2c(ncn2-c2ccccc2)C1 ZINC000272479335 166358308 /nfs/dbraw/zinc/35/83/08/166358308.db2.gz GNWYKLOEXZQQAG-UHFFFAOYSA-N 1 0 239.322 2.416 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1 ZINC000020311973 166383063 /nfs/dbraw/zinc/38/30/63/166383063.db2.gz IFGPBASSHDIOBI-VXGBXAGGSA-N 1 0 232.327 2.028 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337432253 166406594 /nfs/dbraw/zinc/40/65/94/166406594.db2.gz VKGDJZLQZPHXDC-RKDXNWHRSA-N 1 0 205.248 2.312 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC000661386895 410602917 /nfs/dbraw/zinc/60/29/17/410602917.db2.gz WCGVGTXZOAQVLX-ZDUSSCGKSA-N 1 0 248.374 2.395 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000680585776 487617459 /nfs/dbraw/zinc/61/74/59/487617459.db2.gz JLDLIHKESMHBIO-VXGBXAGGSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000655489009 410794973 /nfs/dbraw/zinc/79/49/73/410794973.db2.gz LJSOOLLNTLMKNI-ZDUSSCGKSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCCCCNC(=O)CC1([NH3+])CCC1 ZINC000655488718 410800873 /nfs/dbraw/zinc/80/08/73/410800873.db2.gz LZTZNTDTDFRZST-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000651469413 411051070 /nfs/dbraw/zinc/05/10/70/411051070.db2.gz MOVGORFTZNGJOR-GXSJLCMTSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cnc(C)s1 ZINC000651469414 411051135 /nfs/dbraw/zinc/05/11/35/411051135.db2.gz MOVGORFTZNGJOR-KOLCDFICSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@H]1COCCO1 ZINC000661611622 411052302 /nfs/dbraw/zinc/05/23/02/411052302.db2.gz LHIFCWJBTWDUGJ-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO CC1=C[C@H](C)C[C@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592522230 411133507 /nfs/dbraw/zinc/13/35/07/411133507.db2.gz JOCSGVQOZWWHMP-QEJZJMRPSA-N 1 0 248.370 2.329 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCOCC2)C1 ZINC000651682963 411135391 /nfs/dbraw/zinc/13/53/91/411135391.db2.gz MZZVKPZDSFXHPD-AAEUAGOBSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(=O)NCCC)C1 ZINC000651684504 411135522 /nfs/dbraw/zinc/13/55/22/411135522.db2.gz PBXIUXPOHREOBJ-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000651686158 411135988 /nfs/dbraw/zinc/13/59/88/411135988.db2.gz SPCKBYROBTVKPX-DGCLKSJQSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000651688508 411136350 /nfs/dbraw/zinc/13/63/50/411136350.db2.gz MPPHIXXEYIQVIK-XQQFMLRXSA-N 1 0 234.347 2.001 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000593112944 411138241 /nfs/dbraw/zinc/13/82/41/411138241.db2.gz SNIPULDQFWPIQA-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCSC2)C1 ZINC000651730188 411139448 /nfs/dbraw/zinc/13/94/48/411139448.db2.gz CDNYWDGFDUDIOA-AGIUHOORSA-N 1 0 241.400 2.189 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](O)CC)C1 ZINC000651737530 411139964 /nfs/dbraw/zinc/13/99/64/411139964.db2.gz IBJWRKJBHJWFCH-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@](C)(CC)CO)C1 ZINC000651749594 411140696 /nfs/dbraw/zinc/14/06/96/411140696.db2.gz BPKMMMSLWVTEAU-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C1 ZINC000651759547 411141888 /nfs/dbraw/zinc/14/18/88/411141888.db2.gz UGYWSPHSTOWLIJ-LPWJVIDDSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000651760230 411142013 /nfs/dbraw/zinc/14/20/13/411142013.db2.gz UWVRCBUSKDPBEP-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[NH2+]Cc1cc(F)c(OC)cc1OC ZINC000651780211 411143183 /nfs/dbraw/zinc/14/31/83/411143183.db2.gz CDVHKMLGOUYFML-UHFFFAOYSA-N 1 0 225.263 2.119 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](COC)CC(C)(C)C ZINC000651824370 411145694 /nfs/dbraw/zinc/14/56/94/411145694.db2.gz OLGQNJHEANHEAS-QWHCGFSZSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000651823369 411145695 /nfs/dbraw/zinc/14/56/95/411145695.db2.gz FTMKCSZBFHBINT-CHWSQXEVSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc2cnccc2o1 ZINC000651822267 411146018 /nfs/dbraw/zinc/14/60/18/411146018.db2.gz QAYDTZONRCKYLX-OLZOCXBDSA-N 1 0 244.294 2.261 20 30 BEEDRO CCOC(=O)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000045688611 411147843 /nfs/dbraw/zinc/14/78/43/411147843.db2.gz MFTIBJZZZDYANV-NSHDSACASA-N 1 0 246.310 2.162 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)NCc1ccc(C#N)cc1 ZINC000045690197 411148516 /nfs/dbraw/zinc/14/85/16/411148516.db2.gz RWJDXBMJXKCKAH-CYBMUJFWSA-N 1 0 245.370 2.378 20 30 BEEDRO C=CCCC(C)(C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000659548071 411151801 /nfs/dbraw/zinc/15/18/01/411151801.db2.gz GEZPARNPLRUQDT-NSHDSACASA-N 1 0 241.379 2.158 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COCC ZINC000657889720 411154767 /nfs/dbraw/zinc/15/47/67/411154767.db2.gz TWTBGFHRLOHBBW-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000651944667 411158724 /nfs/dbraw/zinc/15/87/24/411158724.db2.gz CFYZEIJDYIHQSS-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661692986 411160673 /nfs/dbraw/zinc/16/06/73/411160673.db2.gz JRGKZTGYLJUOPP-CHWSQXEVSA-N 1 0 229.339 2.385 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCSCC1 ZINC000657939458 411174687 /nfs/dbraw/zinc/17/46/87/411174687.db2.gz YRNBZTVJKLULRP-NEPJUHHUSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1cncn1 ZINC000657943116 411176146 /nfs/dbraw/zinc/17/61/46/411176146.db2.gz IPTPEWKFSTUUJW-KBPBESRZSA-N 1 0 248.374 2.393 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000304595053 411179681 /nfs/dbraw/zinc/17/96/81/411179681.db2.gz LOANNEXHCBUYJT-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)CO ZINC000657980929 411187369 /nfs/dbraw/zinc/18/73/69/411187369.db2.gz AIEJODYVGLFDAU-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812892 411190205 /nfs/dbraw/zinc/19/02/05/411190205.db2.gz SQVJZXVZDBDZEJ-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO CC#CCCN1CC[NH+](C(C)(C)CC)CC1 ZINC000653810617 411190910 /nfs/dbraw/zinc/19/09/10/411190910.db2.gz KVVLWINQEGXDPZ-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C=CCCC[NH2+][C@@H](COC)CC1CCOCC1 ZINC000657996133 411191899 /nfs/dbraw/zinc/19/18/99/411191899.db2.gz OFACLHAYGVFMAP-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCN(C)C ZINC000658016168 411198981 /nfs/dbraw/zinc/19/89/81/411198981.db2.gz XGCSDCXUBRSBNE-QWHCGFSZSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCCn2nccc21 ZINC000658032294 411210318 /nfs/dbraw/zinc/21/03/18/411210318.db2.gz PJWZEAJNQCRFKX-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCn2nccc21 ZINC000658032293 411210622 /nfs/dbraw/zinc/21/06/22/411210622.db2.gz PJWZEAJNQCRFKX-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1CCC(OCC)CC1 ZINC000658032822 411211445 /nfs/dbraw/zinc/21/14/45/411211445.db2.gz XHQJEUXPWIRBRB-ROKHWSDSSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000658037698 411213700 /nfs/dbraw/zinc/21/37/00/411213700.db2.gz IRCABZKEFHHOLT-AVGNSLFASA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCCC2(C)C)nn1 ZINC000424289648 411247307 /nfs/dbraw/zinc/24/73/07/411247307.db2.gz AAILHFJZXUTPIV-LBPRGKRZSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000658070876 411232078 /nfs/dbraw/zinc/23/20/78/411232078.db2.gz AGFINIWEBWGADM-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657919863 411167028 /nfs/dbraw/zinc/16/70/28/411167028.db2.gz XTFKYZMJKOXQQO-WDEREUQCSA-N 1 0 205.305 2.272 20 30 BEEDRO C=CCN(C(=O)C[C@H]([NH3+])c1ccccc1)C1CC1 ZINC000165270858 411167601 /nfs/dbraw/zinc/16/76/01/411167601.db2.gz NZOXESHOXHLFSK-AWEZNQCLSA-N 1 0 244.338 2.254 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)N(C)C1CC1 ZINC000192833145 411262473 /nfs/dbraw/zinc/26/24/73/411262473.db2.gz MTOPLRIAHWVTOQ-FRRDWIJNSA-N 1 0 235.375 2.141 20 30 BEEDRO C=C(CC)Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000656453597 411276455 /nfs/dbraw/zinc/27/64/55/411276455.db2.gz NEAKUNSCUACIOB-UHFFFAOYSA-N 1 0 242.326 2.370 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cn(CC)nn1 ZINC000658176999 411282374 /nfs/dbraw/zinc/28/23/74/411282374.db2.gz QNUGGRADKZIJJM-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cn(CC)nn1)C1CC1 ZINC000658177961 411282956 /nfs/dbraw/zinc/28/29/56/411282956.db2.gz XWBDDEXKVVTJFN-ZDUSSCGKSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000658210329 411294462 /nfs/dbraw/zinc/29/44/62/411294462.db2.gz QIIXAWVWVSQNMO-CYBMUJFWSA-N 1 0 249.358 2.054 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658252299 411315591 /nfs/dbraw/zinc/31/55/91/411315591.db2.gz QBSNKVOVUMKYTR-SDDRHHMPSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccco1 ZINC000658257934 411316873 /nfs/dbraw/zinc/31/68/73/411316873.db2.gz UQXIFWUSUOYULL-RYUDHWBXSA-N 1 0 248.326 2.155 20 30 BEEDRO C=CCC[NH2+][C@H](C(=O)NC1CC1)c1ccccc1 ZINC000656680853 411320081 /nfs/dbraw/zinc/32/00/81/411320081.db2.gz WESZCWADYDFNOF-AWEZNQCLSA-N 1 0 244.338 2.172 20 30 BEEDRO C=CCOc1cccc(CN(C)CC(C)(C)[NH3+])c1 ZINC000656782990 411360067 /nfs/dbraw/zinc/36/00/67/411360067.db2.gz KWFPVBLVDMVPRJ-UHFFFAOYSA-N 1 0 248.370 2.421 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000656708117 411334808 /nfs/dbraw/zinc/33/48/08/411334808.db2.gz FLNSFQDURULRFX-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CCCCCC[N@@H+]1CCn2cncc2C1 ZINC000660582336 411335677 /nfs/dbraw/zinc/33/56/77/411335677.db2.gz RRKRWFVUQBMNPJ-UHFFFAOYSA-N 1 0 219.332 2.445 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](OC(C)C)c1ccccc1 ZINC000662168696 411372376 /nfs/dbraw/zinc/37/23/76/411372376.db2.gz RBJMONNVZKBEBP-CABCVRRESA-N 1 0 249.354 2.289 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000658334875 411343797 /nfs/dbraw/zinc/34/37/97/411343797.db2.gz WIVYTMRWCDCEHN-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(CNc2cccc(F)c2C#N)CC[NH2+]CC1 ZINC000129478302 168047783 /nfs/dbraw/zinc/04/77/83/168047783.db2.gz VLQOKAXOAWCOOE-UHFFFAOYSA-N 1 0 247.317 2.499 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@H](CC)C2)nn1 ZINC000653486228 411376890 /nfs/dbraw/zinc/37/68/90/411376890.db2.gz RTTSQDRMWPPDFF-ZDUSSCGKSA-N 1 0 248.374 2.476 20 30 BEEDRO COCC#CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000656829207 411379762 /nfs/dbraw/zinc/37/97/62/411379762.db2.gz QKECMUGXQOBVLU-CQSZACIVSA-N 1 0 246.354 2.032 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000656829211 411379870 /nfs/dbraw/zinc/37/98/70/411379870.db2.gz XPYPTCWELGETAK-DZGCQCFKSA-N 1 0 248.370 2.319 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](C)OC ZINC000285777419 411457195 /nfs/dbraw/zinc/45/71/95/411457195.db2.gz SLICPRASRGRKCI-ZDUSSCGKSA-N 1 0 217.312 2.157 20 30 BEEDRO CC[N@H+](CCCO)[C@H](C)c1cccc(C#N)c1 ZINC000276113521 169834960 /nfs/dbraw/zinc/83/49/60/169834960.db2.gz XTCUTAMBLOAKHU-GFCCVEGCSA-N 1 0 232.327 2.324 20 30 BEEDRO C=CCCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000659338955 411398581 /nfs/dbraw/zinc/39/85/81/411398581.db2.gz WCJXPLBRBSMUAP-SNVBAGLBSA-N 1 0 218.300 2.012 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000653052201 411406179 /nfs/dbraw/zinc/40/61/79/411406179.db2.gz XTZBXSUZNUYVKG-RWMBFGLXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@@H](C)C[C@@H]2CC)nn1 ZINC000653562268 411422086 /nfs/dbraw/zinc/42/20/86/411422086.db2.gz LQGVPAJGKBXZQC-JSGCOSHPSA-N 1 0 248.374 2.475 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590465 411426166 /nfs/dbraw/zinc/42/61/66/411426166.db2.gz CLYHZMBMISUEEO-OLZOCXBDSA-N 1 0 231.343 2.011 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cncnc1C ZINC000655733910 411441845 /nfs/dbraw/zinc/44/18/45/411441845.db2.gz UZJZDHMEPPBHMZ-NSHDSACASA-N 1 0 235.331 2.028 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655733667 411442568 /nfs/dbraw/zinc/44/25/68/411442568.db2.gz PHFXGWKERRWEII-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000657284737 411443138 /nfs/dbraw/zinc/44/31/38/411443138.db2.gz UUFSHQHMXGUQQO-ZDUSSCGKSA-N 1 0 249.329 2.338 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655738594 411444912 /nfs/dbraw/zinc/44/49/12/411444912.db2.gz YJSFSOJUXXRISB-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@H]2CC=CCC2)nn1 ZINC000657333062 411463777 /nfs/dbraw/zinc/46/37/77/411463777.db2.gz UUIFMPOOBAZQQX-ZDUSSCGKSA-N 1 0 246.358 2.300 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCCC[C@@H](C)C2)nn1 ZINC000653621441 411446310 /nfs/dbraw/zinc/44/63/10/411446310.db2.gz NBAWPOKFWFOEPS-CYBMUJFWSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@H]2CC)nn1 ZINC000653621494 411446450 /nfs/dbraw/zinc/44/64/50/411446450.db2.gz OXEJMILNECIBMY-TZMCWYRMSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657287334 411446940 /nfs/dbraw/zinc/44/69/40/411446940.db2.gz LADBFNKZWZMVGZ-CQSZACIVSA-N 1 0 233.311 2.130 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H](C)C(C)C)nn1 ZINC000657369985 411483622 /nfs/dbraw/zinc/48/36/22/411483622.db2.gz JUTNVMKCHLWHLE-GFCCVEGCSA-N 1 0 236.363 2.236 20 30 BEEDRO CCC[C@@H]([NH2+]CC#CCOC)C1CCC1 ZINC000657378824 411487047 /nfs/dbraw/zinc/48/70/47/411487047.db2.gz ZURURWVNFSYAPQ-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2(CC)CC2)nn1 ZINC000657388315 411490374 /nfs/dbraw/zinc/49/03/74/411490374.db2.gz IRFBQDRQHAFKOQ-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657393765 411492860 /nfs/dbraw/zinc/49/28/60/411492860.db2.gz XHLBEXMIMVORSU-ZETCQYMHSA-N 1 0 233.237 2.103 20 30 BEEDRO C[C@H](NCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358561813 411493963 /nfs/dbraw/zinc/49/39/63/411493963.db2.gz SYRLFVIMRCYJLJ-NSHDSACASA-N 1 0 249.333 2.300 20 30 BEEDRO C=C1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000659908748 411495500 /nfs/dbraw/zinc/49/55/00/411495500.db2.gz BLKXSPMZQIWGTA-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCC)cc1C ZINC000657434452 411507113 /nfs/dbraw/zinc/50/71/13/411507113.db2.gz DQLVCKJAHFKFMT-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657434744 411507401 /nfs/dbraw/zinc/50/74/01/411507401.db2.gz HFKSIVFTODHKHD-SECBINFHSA-N 1 0 245.244 2.131 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCC2(C)CC2)nn1 ZINC000657453456 411514416 /nfs/dbraw/zinc/51/44/16/411514416.db2.gz ZDOHJWFSTBHGMK-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655791926 411514461 /nfs/dbraw/zinc/51/44/61/411514461.db2.gz HJEICZGJESKBCU-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)nc(C)n1 ZINC000659829640 411466538 /nfs/dbraw/zinc/46/65/38/411466538.db2.gz URUTVJMYIJFRCY-UHFFFAOYSA-N 1 0 219.332 2.491 20 30 BEEDRO C=CCCC1(C[NH2+]Cc2cn(C)nn2)CCCC1 ZINC000657567701 411553410 /nfs/dbraw/zinc/55/34/10/411553410.db2.gz VNZVTBLXNQVWPB-UHFFFAOYSA-N 1 0 248.374 2.431 20 30 BEEDRO C=C(C)CN(C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660219306 411554994 /nfs/dbraw/zinc/55/49/94/411554994.db2.gz BJAZNPSPZPHXLY-KBPBESRZSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000657529493 411544712 /nfs/dbraw/zinc/54/47/12/411544712.db2.gz DKBQEGKNQHZNIM-JHJVBQTASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC1([NH2+]Cc2cncs2)CCOCC1 ZINC000657633394 411567253 /nfs/dbraw/zinc/56/72/53/411567253.db2.gz NMZVLBHSDSUFBV-UHFFFAOYSA-N 1 0 238.356 2.358 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2(CO)CC2)C1 ZINC000657608620 411561665 /nfs/dbraw/zinc/56/16/65/411561665.db2.gz WNJZFLLNAAWMCA-YNEHKIRRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000657624629 411565759 /nfs/dbraw/zinc/56/57/59/411565759.db2.gz LOBWJIPYBWKOOS-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+]C1CCSCC1 ZINC000657658191 411571821 /nfs/dbraw/zinc/57/18/21/411571821.db2.gz OSAMYCOSTTUWFL-UHFFFAOYSA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000657658238 411572062 /nfs/dbraw/zinc/57/20/62/411572062.db2.gz PZFSYMSWABRFIB-KGLIPLIRSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000657659014 411572271 /nfs/dbraw/zinc/57/22/71/411572271.db2.gz NWFXFDOXRQMRRY-CLLJXQQHSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccncc1C ZINC000657658686 411572292 /nfs/dbraw/zinc/57/22/92/411572292.db2.gz AAEUGIPFRLVASK-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc(OC)c1 ZINC000657658677 411572416 /nfs/dbraw/zinc/57/24/16/411572416.db2.gz ZOEMDAYKKDULGU-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO CCOCC(C)(C)[NH2+]Cc1ccccc1C#N ZINC000293331492 170354973 /nfs/dbraw/zinc/35/49/73/170354973.db2.gz RSYWRVZBXWHUBR-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO CCOCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000236840974 170369950 /nfs/dbraw/zinc/36/99/50/170369950.db2.gz CXWZWODDTUCSLC-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO C=CCN(C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000660328802 411569446 /nfs/dbraw/zinc/56/94/46/411569446.db2.gz PUABTPMNRXDASS-STQMWFEESA-N 1 0 210.365 2.082 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000020054983 170380848 /nfs/dbraw/zinc/38/08/48/170380848.db2.gz KBEXYOVTMDEIKH-UHFFFAOYSA-N 1 0 236.290 2.214 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087822442 170381470 /nfs/dbraw/zinc/38/14/70/170381470.db2.gz CXGOOQYPTILSDS-UHFFFAOYSA-N 1 0 248.326 2.083 20 30 BEEDRO CCOCC[N@H+](CC)Cc1ccc(C#N)s1 ZINC000120466750 170396192 /nfs/dbraw/zinc/39/61/92/170396192.db2.gz GLOMZZIXEHYFAQ-UHFFFAOYSA-N 1 0 238.356 2.478 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOCCF)C1 ZINC000663338304 411629601 /nfs/dbraw/zinc/62/96/01/411629601.db2.gz GIHCSPGJNUNIJS-VXGBXAGGSA-N 1 0 215.312 2.307 20 30 BEEDRO C=CCC1([NH2+]Cc2cncn2C)CCCC1 ZINC000657701892 411583207 /nfs/dbraw/zinc/58/32/07/411583207.db2.gz DNXDSHOPBRDUOW-UHFFFAOYSA-N 1 0 219.332 2.399 20 30 BEEDRO C=CCC1([NH2+]Cc2cn[nH]c2)CCCC1 ZINC000657703355 411583313 /nfs/dbraw/zinc/58/33/13/411583313.db2.gz XLSCYUGBOLVXOS-UHFFFAOYSA-N 1 0 205.305 2.388 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C(C)C)C2CC2)nn1 ZINC000657757960 411590540 /nfs/dbraw/zinc/59/05/40/411590540.db2.gz XZVVAYFXTLNFET-CQSZACIVSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000657804753 411600033 /nfs/dbraw/zinc/60/00/33/411600033.db2.gz COEYGPHXOACXAB-UHFFFAOYSA-N 1 0 248.374 2.377 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1nccn1C ZINC000657805460 411600121 /nfs/dbraw/zinc/60/01/21/411600121.db2.gz PTQJYCODFDPFBC-UHFFFAOYSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CO ZINC000657846756 411611422 /nfs/dbraw/zinc/61/14/22/411611422.db2.gz QFDQYHBGNNELMS-UPJWGTAASA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCC1CCC1 ZINC000660723572 411619392 /nfs/dbraw/zinc/61/93/92/411619392.db2.gz ZLLIGZKPFSWDPF-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CC=CC1 ZINC000660737729 411619916 /nfs/dbraw/zinc/61/99/16/411619916.db2.gz IGMVEBRYYHXCHL-OLZOCXBDSA-N 1 0 207.317 2.276 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090681 411703759 /nfs/dbraw/zinc/70/37/59/411703759.db2.gz GMSYFPNFSQVIQZ-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1cn[nH]n1 ZINC000661115047 411712263 /nfs/dbraw/zinc/71/22/63/411712263.db2.gz ORBSCDLJLKGMIZ-WCQYABFASA-N 1 0 234.347 2.072 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn[nH]n1 ZINC000661115046 411713157 /nfs/dbraw/zinc/71/31/57/411713157.db2.gz ORBSCDLJLKGMIZ-DGCLKSJQSA-N 1 0 234.347 2.072 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000661116513 411713586 /nfs/dbraw/zinc/71/35/86/411713586.db2.gz YQXTYOAERJKZEN-IGQOVBAYSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000661218837 411733912 /nfs/dbraw/zinc/73/39/12/411733912.db2.gz LFDFRKRLPFBONI-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@@H+](CCOC(C)(C)C)[C@@H](C)COC ZINC000661239247 411739517 /nfs/dbraw/zinc/73/95/17/411739517.db2.gz DLCGHGDAPNKFLB-LBPRGKRZSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CC[N@H+](Cc1cccnc1C)[C@H](C)COC ZINC000661240928 411740462 /nfs/dbraw/zinc/74/04/62/411740462.db2.gz TXAMGDYZYDQTQN-GFCCVEGCSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@@H+](CCc1ccncc1)[C@@H](C)COC ZINC000661241421 411740564 /nfs/dbraw/zinc/74/05/64/411740564.db2.gz XUYNYPSTPGCTAO-ZDUSSCGKSA-N 1 0 234.343 2.147 20 30 BEEDRO C=CC[N@@H+](CCc1ccncc1)[C@H](C)COC ZINC000661241420 411741023 /nfs/dbraw/zinc/74/10/23/411741023.db2.gz XUYNYPSTPGCTAO-CYBMUJFWSA-N 1 0 234.343 2.147 20 30 BEEDRO C=CC[N@@H+](CCC[C@H]1CCOC1)[C@H](C)COC ZINC000661241081 411741619 /nfs/dbraw/zinc/74/16/19/411741619.db2.gz WPLYKOCOSADBOR-KGLIPLIRSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@@H+](CCC(C)(C)OC)[C@@H](C)COC ZINC000661240641 411741714 /nfs/dbraw/zinc/74/17/14/411741714.db2.gz PKYFLFJRWQVTQD-LBPRGKRZSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(C)C)cc(=O)c1O ZINC000663829132 411755623 /nfs/dbraw/zinc/75/56/23/411755623.db2.gz ASDRMDLAAYPMDY-UHFFFAOYSA-N 1 0 247.338 2.494 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC000661377748 411759884 /nfs/dbraw/zinc/75/98/84/411759884.db2.gz TUHQXPUVFWFFLJ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)COC(C)C)C1 ZINC000661378879 411760280 /nfs/dbraw/zinc/76/02/80/411760280.db2.gz NSAKUZLZRSEDEK-KGLIPLIRSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NCCCC)C1 ZINC000661376406 411760457 /nfs/dbraw/zinc/76/04/57/411760457.db2.gz BREODNGNHRJRQJ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N(CC)CC)C1 ZINC000661376944 411760852 /nfs/dbraw/zinc/76/08/52/411760852.db2.gz HEDMRDBWBSEUPM-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)CC)C1 ZINC000661377751 411760897 /nfs/dbraw/zinc/76/08/97/411760897.db2.gz TUHQXPUVFWFFLJ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000661379517 411761880 /nfs/dbraw/zinc/76/18/80/411761880.db2.gz CYCKAMXATNEMGR-GFCCVEGCSA-N 1 0 219.332 2.208 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661489803 411787900 /nfs/dbraw/zinc/78/79/00/411787900.db2.gz CBMNSXNKAJMBBV-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](Cc1ccn(C)c(=O)c1)C(C)(C)C ZINC000661755502 411865738 /nfs/dbraw/zinc/86/57/38/411865738.db2.gz SCCLFRNTXJLANH-UHFFFAOYSA-N 1 0 234.343 2.172 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661626561 411821403 /nfs/dbraw/zinc/82/14/03/411821403.db2.gz NGULCIISWBEKEL-TZMCWYRMSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)nn1)C(C)(C)C ZINC000661756990 411866396 /nfs/dbraw/zinc/86/63/96/411866396.db2.gz AJFGUIDPBPINLR-UHFFFAOYSA-N 1 0 235.331 2.272 20 30 BEEDRO C=CCCNc1cc(NCCCC)nc(N)n1 ZINC000664226166 411889829 /nfs/dbraw/zinc/88/98/29/411889829.db2.gz BPTBEVXODJTRPL-UHFFFAOYSA-N 1 0 235.335 2.259 20 30 BEEDRO C=CCC1([NH2+]Cc2ccn(C)c(=O)c2)CCCC1 ZINC000661849668 411901147 /nfs/dbraw/zinc/90/11/47/411901147.db2.gz YMLMYTHTMCKXJO-UHFFFAOYSA-N 1 0 246.354 2.364 20 30 BEEDRO C=CCC1([NH2+]CCCC(=O)N(C)C)CCCC1 ZINC000661851103 411903163 /nfs/dbraw/zinc/90/31/63/411903163.db2.gz PATQBACTNYTKPN-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+](Cc1c(C)nnn1CC)C(C)(C)C ZINC000661758300 411868538 /nfs/dbraw/zinc/86/85/38/411868538.db2.gz RDHQFZIEBXPEDE-UHFFFAOYSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CC[N@H+](C[C@H](O)C(F)(F)F)C(C)(C)C ZINC000661760768 411872128 /nfs/dbraw/zinc/87/21/28/411872128.db2.gz ZWONQTDEIZZLMR-QMMMGPOBSA-N 1 0 225.254 2.196 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(CC)CC ZINC000662077353 411979147 /nfs/dbraw/zinc/97/91/47/411979147.db2.gz BYGKHVHUNWOVIC-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCCCC1 ZINC000662082323 411979403 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C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCN1C ZINC000662089418 411983272 /nfs/dbraw/zinc/98/32/72/411983272.db2.gz YEBDIOPETFSHHP-HZSPNIEDSA-N 1 0 220.360 2.264 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000135057340 171012067 /nfs/dbraw/zinc/01/20/67/171012067.db2.gz JDBWVZQGKNZLAD-DOMZBBRYSA-N 1 0 244.338 2.324 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](CCC1CC1)CC1CC1 ZINC000662178362 412021954 /nfs/dbraw/zinc/02/19/54/412021954.db2.gz BOCMBMYNPUPNIN-CQSZACIVSA-N 1 0 223.360 2.436 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000230222185 171165041 /nfs/dbraw/zinc/16/50/41/171165041.db2.gz UVINDIITPGNWOH-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CC[C@@](C)(O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384905 171184811 /nfs/dbraw/zinc/18/48/11/171184811.db2.gz LTCMAJNFMTUZAW-HUUCEWRRSA-N 1 0 244.338 2.296 20 30 BEEDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000087013564 171186306 /nfs/dbraw/zinc/18/63/06/171186306.db2.gz GFSFQFOOICONSK-BXUZGUMPSA-N 1 0 232.327 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230.311 2.073 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccc(C#N)cc1 ZINC000296630448 175928100 /nfs/dbraw/zinc/92/81/00/175928100.db2.gz XJEXXEPSOQKIJL-KYOSRNDESA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@](C)(O)C1 ZINC000267363878 176013053 /nfs/dbraw/zinc/01/30/53/176013053.db2.gz QEXPIUHTDAACEU-FZMZJTMJSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](CCO)CC1CC1 ZINC000352490471 176016371 /nfs/dbraw/zinc/01/63/71/176016371.db2.gz IWGPCBKKWOWEHI-LBPRGKRZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1cccc(C#N)n1 ZINC000265585055 176070419 /nfs/dbraw/zinc/07/04/19/176070419.db2.gz XEBVPWXNMCADED-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNCc1ccc(C#N)o1 ZINC000174271145 176071704 /nfs/dbraw/zinc/07/17/04/176071704.db2.gz FCQUZYAFUIXUFT-GFCCVEGCSA-N 1 0 247.342 2.115 20 30 BEEDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000292921391 176134757 /nfs/dbraw/zinc/13/47/57/176134757.db2.gz GFDCMKTVXVXNNW-IUODEOHRSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000071207150 176150449 /nfs/dbraw/zinc/15/04/49/176150449.db2.gz OUIOLERHFGQCIO-DFBGVHRSSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000300120851 176169077 /nfs/dbraw/zinc/16/90/77/176169077.db2.gz QDQWIMYQBIUZQS-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)CCS1 ZINC000190690770 176174258 /nfs/dbraw/zinc/17/42/58/176174258.db2.gz YVWOYRUFODVJDC-SNVBAGLBSA-N 1 0 236.340 2.479 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000128430758 176213292 /nfs/dbraw/zinc/21/32/92/176213292.db2.gz KUOUGYHSBPRWCE-NXEZZACHSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000302029318 176341058 /nfs/dbraw/zinc/34/10/58/176341058.db2.gz WJMAYUYETGGKTL-MFKMUULPSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000277443448 176344564 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C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@H]1C ZINC000245710177 177162831 /nfs/dbraw/zinc/16/28/31/177162831.db2.gz CHMPRNVVSJHUMM-UWVGGRQHSA-N 1 0 204.273 2.382 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000335552884 177195177 /nfs/dbraw/zinc/19/51/77/177195177.db2.gz TUMWJPJBACCKNF-GWCFXTLKSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1CN(Cc2cccc(C#N)c2)C[C@H](C)[N@H+]1C ZINC000135270379 177263782 /nfs/dbraw/zinc/26/37/82/177263782.db2.gz WSOCUORGVFQLLH-BETUJISGSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H]1C[NH+]=C(NC2CC(C)(c3ccccc3)C2)N1 ZINC000262690025 177278949 /nfs/dbraw/zinc/27/89/49/177278949.db2.gz ZWIBWZOEZHWYAD-ZOODHJKOSA-N 1 0 243.354 2.044 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000277628929 177296515 /nfs/dbraw/zinc/29/65/15/177296515.db2.gz YUJTXAAWHRKIGO-DZGCQCFKSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000336465313 177317668 /nfs/dbraw/zinc/31/76/68/177317668.db2.gz JAJWKEMQTVRSRQ-MNOVXSKESA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000219887165 177332212 /nfs/dbraw/zinc/33/22/12/177332212.db2.gz UKHVXLFJYIRNOX-GWCFXTLKSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000135469324 177345577 /nfs/dbraw/zinc/34/55/77/177345577.db2.gz QRTVSHJMGFDFRS-GXFFZTMASA-N 1 0 200.285 2.304 20 30 BEEDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271504380 177362903 /nfs/dbraw/zinc/36/29/03/177362903.db2.gz OJWRBPJXEXNWOD-WDEREUQCSA-N 1 0 234.299 2.056 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)O1 ZINC000404069382 229364135 /nfs/dbraw/zinc/36/41/35/229364135.db2.gz KXBIWSRLRUSLAD-GPCCPHFNSA-N 1 0 248.301 2.353 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)O1 ZINC000404152776 229376308 /nfs/dbraw/zinc/37/63/08/229376308.db2.gz SXCZBSDDQLOOBI-GXFFZTMASA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H](CCCC#N)n1ccc2c1CC[NH2+]C2 ZINC001172510165 974866001 /nfs/dbraw/zinc/86/60/01/974866001.db2.gz WLLNPQGPCYQNOD-LLVKDONJSA-N 1 0 217.316 2.389 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(OC)c1F ZINC000383945803 487682168 /nfs/dbraw/zinc/68/21/68/487682168.db2.gz FXGDQPRQQBCPMY-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)O ZINC000395291859 262785679 /nfs/dbraw/zinc/78/56/79/262785679.db2.gz ZHEFBGZHIFZLGQ-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO CCC#C[C@H](C)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000671722425 487707965 /nfs/dbraw/zinc/70/79/65/487707965.db2.gz SVHCJSUAHTWCGG-RRFJBIMHSA-N 1 0 234.387 2.347 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404129606 267030379 /nfs/dbraw/zinc/03/03/79/267030379.db2.gz SJGIEWRAHOGAQB-MFKMUULPSA-N 1 0 248.301 2.043 20 30 BEEDRO COCCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000529639280 267439828 /nfs/dbraw/zinc/43/98/28/267439828.db2.gz ZRRIZLVHNBVNSJ-UHFFFAOYSA-N 1 0 248.326 2.400 20 30 BEEDRO C=CCCCC[NH2+]C1CCN(C(=O)CC)CC1 ZINC000681134175 487735879 /nfs/dbraw/zinc/73/58/79/487735879.db2.gz CMFJXCRQTZORHS-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000449523351 487756967 /nfs/dbraw/zinc/75/69/67/487756967.db2.gz XOPNWUDYTYGTHQ-RVMXOQNASA-N 1 0 207.317 2.108 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000066246757 487765013 /nfs/dbraw/zinc/76/50/13/487765013.db2.gz ZEJIZEBXJZPYTA-UHFFFAOYSA-N 1 0 243.354 2.117 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000649604797 487769421 /nfs/dbraw/zinc/76/94/21/487769421.db2.gz XUTMSQGDYHUQLA-HUUCEWRRSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000839618486 585332364 /nfs/dbraw/zinc/33/23/64/585332364.db2.gz KDAIWFUQSAKFQY-SNVBAGLBSA-N 1 0 215.724 2.118 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000679219818 487783824 /nfs/dbraw/zinc/78/38/24/487783824.db2.gz JJSHHVRTSSVCKA-IHRRRGAJSA-N 1 0 223.360 2.271 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000650321153 487787174 /nfs/dbraw/zinc/78/71/74/487787174.db2.gz XVBNWVMJIOKZDY-IHRRRGAJSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684202615 487790578 /nfs/dbraw/zinc/79/05/78/487790578.db2.gz WEIVWXOLJBVXJI-CHWSQXEVSA-N 1 0 248.374 2.259 20 30 BEEDRO C=C(C)CC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000681402705 487792496 /nfs/dbraw/zinc/79/24/96/487792496.db2.gz RKZXBURTVPRRNR-UHFFFAOYSA-N 1 0 247.342 2.227 20 30 BEEDRO C=C(C)CC[N@H+](CCO)CCc1ccccc1 ZINC000681404565 487793784 /nfs/dbraw/zinc/79/37/84/487793784.db2.gz XGWGGVPOMDRWOX-UHFFFAOYSA-N 1 0 233.355 2.490 20 30 BEEDRO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000592153315 487807755 /nfs/dbraw/zinc/80/77/55/487807755.db2.gz LSHMYDWKCVJATE-HUUCEWRRSA-N 1 0 242.322 2.024 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681605425 487822569 /nfs/dbraw/zinc/82/25/69/487822569.db2.gz ZXFIUKZYJPSGIL-CHWSQXEVSA-N 1 0 234.347 2.270 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CCOC)COC)C1 ZINC000651813972 487834264 /nfs/dbraw/zinc/83/42/64/487834264.db2.gz DSLCDKCUEPFFDS-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1COC ZINC000832605567 587669110 /nfs/dbraw/zinc/66/91/10/587669110.db2.gz CXTYAMPWVKMGJY-JTQLQIEISA-N 1 0 203.713 2.240 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625652784 487835629 /nfs/dbraw/zinc/83/56/29/487835629.db2.gz GHZRBGBPUUGDEP-OUAUKWLOSA-N 1 0 233.302 2.147 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1F ZINC000335832597 487838142 /nfs/dbraw/zinc/83/81/42/487838142.db2.gz RDVVERLXCFGVMC-LLVKDONJSA-N 1 0 247.273 2.055 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCCCCCO ZINC000846996276 588300978 /nfs/dbraw/zinc/30/09/78/588300978.db2.gz WCYABFXQFOZHMM-LBPRGKRZSA-N 1 0 212.337 2.211 20 30 BEEDRO C=C(Cl)CN1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000110115921 588612119 /nfs/dbraw/zinc/61/21/19/588612119.db2.gz XHWYNDXKXCTMSS-YUMQZZPRSA-N 1 0 243.656 2.127 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000681710033 487846310 /nfs/dbraw/zinc/84/63/10/487846310.db2.gz OMAXRIRSAXQBTA-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000677048503 487847987 /nfs/dbraw/zinc/84/79/87/487847987.db2.gz ZMCMFMWRJRQPMV-GJZGRUSLSA-N 1 0 231.339 2.413 20 30 BEEDRO CN(CCC[NH+](C)C)c1cccc(F)c1C#N ZINC000093406614 487859049 /nfs/dbraw/zinc/85/90/49/487859049.db2.gz LJMBGMZALYLAHX-UHFFFAOYSA-N 1 0 235.306 2.085 20 30 BEEDRO C=CCC[NH2+][C@](C)(CC(=O)OC)c1ccncc1 ZINC000595482251 487866994 /nfs/dbraw/zinc/86/69/94/487866994.db2.gz ITISNUBTOAFCPW-CQSZACIVSA-N 1 0 248.326 2.026 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC(=C)C)C1 ZINC001331992819 974912849 /nfs/dbraw/zinc/91/28/49/974912849.db2.gz UNGLXXDHDHDATA-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO CC[C@H](O)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164623146 487891259 /nfs/dbraw/zinc/89/12/59/487891259.db2.gz RBPRDGIYQKFWDQ-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccncc1C ZINC000582554560 487917093 /nfs/dbraw/zinc/91/70/93/487917093.db2.gz PLBBQTYSQGVGPI-ZDUSSCGKSA-N 1 0 217.316 2.214 20 30 BEEDRO C=C(C)C[N@@H+](CC)C1CCN(C(=O)OC)CC1 ZINC001172741063 974915532 /nfs/dbraw/zinc/91/55/32/974915532.db2.gz SBYUKIMGNZKKIA-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CSC[C@@H]2C)CCOCC1 ZINC000668551339 487922080 /nfs/dbraw/zinc/92/20/80/487922080.db2.gz KLIBOBWCKMQQCF-NWDGAFQWSA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)COCC)CCOCC1 ZINC000668552454 487922797 /nfs/dbraw/zinc/92/27/97/487922797.db2.gz MSCCPIJHVAWZHW-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC1([NH2+][C@H](C)CCOC)CCOCC1 ZINC000668551822 487923291 /nfs/dbraw/zinc/92/32/91/487923291.db2.gz XTIWHPOOYKEIFP-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@H](C)CCC)nn1 ZINC000653491780 487922923 /nfs/dbraw/zinc/92/29/23/487922923.db2.gz ILVRCFLJHUZVID-GFCCVEGCSA-N 1 0 236.363 2.475 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(CO)cc1 ZINC000227476133 487931142 /nfs/dbraw/zinc/93/11/42/487931142.db2.gz LUVCCWAIBOOXQX-UHFFFAOYSA-N 1 0 205.301 2.235 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCF)cc1F ZINC000404108256 322810026 /nfs/dbraw/zinc/81/00/26/322810026.db2.gz IBRXGWNOBBKFJS-UHFFFAOYSA-N 1 0 210.227 2.147 20 30 BEEDRO C=CC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000153848038 322995747 /nfs/dbraw/zinc/99/57/47/322995747.db2.gz OMGNPHDKDYHCMV-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H]1CC(CC[NH2+]CCC#N)C[C@H](C)O1 ZINC000566792577 323014463 /nfs/dbraw/zinc/01/44/63/323014463.db2.gz FCSKILFGJRXSBR-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@@H](CC[NH2+]CCC#N)C[C@H](C)O1 ZINC000566792578 323014531 /nfs/dbraw/zinc/01/45/31/323014531.db2.gz FCSKILFGJRXSBR-ZSBIGDGJSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000562383001 323018704 /nfs/dbraw/zinc/01/87/04/323018704.db2.gz JRATUFDKBCGZII-NSHDSACASA-N 1 0 217.316 2.430 20 30 BEEDRO C=CC[C@@H]1[N@H+](Cc2nncn2C)CCCC1(C)C ZINC000562543294 323023514 /nfs/dbraw/zinc/02/35/14/323023514.db2.gz OBQKSACMKLYJNM-LBPRGKRZSA-N 1 0 248.374 2.382 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000248515625 323023968 /nfs/dbraw/zinc/02/39/68/323023968.db2.gz OJBMCGLBESWRKA-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO N#CC1(C[NH2+][C@@H](CO)C2CCCCC2)CCC1 ZINC000562703192 323028352 /nfs/dbraw/zinc/02/83/52/323028352.db2.gz JEKVUTNZOZWBGV-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000562726693 323029217 /nfs/dbraw/zinc/02/92/17/323029217.db2.gz GXDYRTICWQMKQM-BFHYXJOUSA-N 1 0 249.358 2.367 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000569862912 323042891 /nfs/dbraw/zinc/04/28/91/323042891.db2.gz LBYHEYGJDYHNSG-ZDUSSCGKSA-N 1 0 214.312 2.203 20 30 BEEDRO N#CCCN1CCC[C@@H](Nc2ccccc2)C1 ZINC000154874697 323059151 /nfs/dbraw/zinc/05/91/51/323059151.db2.gz WBODJGMSZCLBNK-CQSZACIVSA-N 1 0 229.327 2.477 20 30 BEEDRO N#CCCN1CCC[C@H](Nc2ccccc2)C1 ZINC000154874808 323059197 /nfs/dbraw/zinc/05/91/97/323059197.db2.gz WBODJGMSZCLBNK-AWEZNQCLSA-N 1 0 229.327 2.477 20 30 BEEDRO N#CCC[NH2+]CC1(c2ccc(F)cc2F)CC1 ZINC000570444658 323059631 /nfs/dbraw/zinc/05/96/31/323059631.db2.gz VPNHGPJXMDGLCZ-UHFFFAOYSA-N 1 0 236.265 2.500 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)CC1CCCC1 ZINC000570525997 323062260 /nfs/dbraw/zinc/06/22/60/323062260.db2.gz XVOYKFGTVJUHIM-QWHCGFSZSA-N 1 0 224.348 2.209 20 30 BEEDRO CCn1nc(C)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1C ZINC000570564183 323063071 /nfs/dbraw/zinc/06/30/71/323063071.db2.gz ZYKIASDJYGLBOF-CHWSQXEVSA-N 1 0 246.358 2.302 20 30 BEEDRO CCn1nc(C)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1C ZINC000570564184 323063216 /nfs/dbraw/zinc/06/32/16/323063216.db2.gz ZYKIASDJYGLBOF-OLZOCXBDSA-N 1 0 246.358 2.302 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC000160533740 323070298 /nfs/dbraw/zinc/07/02/98/323070298.db2.gz IWYOMTPDULXIQV-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@H]1CC=CCC1 ZINC000336740402 323082406 /nfs/dbraw/zinc/08/24/06/323082406.db2.gz UKBGIFFQUMOIJG-QWHCGFSZSA-N 1 0 209.333 2.117 20 30 BEEDRO N#CCCC1CC[NH+](Cc2ncccc2O)CC1 ZINC000563158810 323096883 /nfs/dbraw/zinc/09/68/83/323096883.db2.gz VHVPRCLVLMWZQI-UHFFFAOYSA-N 1 0 245.326 2.303 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000531616750 323110447 /nfs/dbraw/zinc/11/04/47/323110447.db2.gz RCZZGWBVTZIPJI-AWEZNQCLSA-N 1 0 235.327 2.151 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCCCn1cccn1 ZINC000563633017 323132753 /nfs/dbraw/zinc/13/27/53/323132753.db2.gz XBQLIUYXBSYUNR-CYBMUJFWSA-N 1 0 234.347 2.335 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1Cc2ccccc2C1 ZINC000571254548 323139231 /nfs/dbraw/zinc/13/92/31/323139231.db2.gz LBQHDMTUCKPFKD-MRXNPFEDSA-N 1 0 245.366 2.318 20 30 BEEDRO C[NH2+]CCSCCCC1(C#N)CCOCC1 ZINC000571281683 323139975 /nfs/dbraw/zinc/13/99/75/323139975.db2.gz NPIQHUALWDBJMB-UHFFFAOYSA-N 1 0 242.388 2.040 20 30 BEEDRO COCC[N@H+](CCCCC#N)Cc1ccco1 ZINC000160966487 323140844 /nfs/dbraw/zinc/14/08/44/323140844.db2.gz CYDJZUGZIFOAFG-UHFFFAOYSA-N 1 0 236.315 2.422 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000323729804 323152673 /nfs/dbraw/zinc/15/26/73/323152673.db2.gz WFFGECFGMJPAKA-HUUCEWRRSA-N 1 0 247.338 2.254 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000305203260 323168097 /nfs/dbraw/zinc/16/80/97/323168097.db2.gz WWKXYIHSMJOREJ-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000305659082 323170919 /nfs/dbraw/zinc/17/09/19/323170919.db2.gz FPWHOSOXAPAOPV-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CCc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)on1 ZINC000309615672 323432706 /nfs/dbraw/zinc/43/27/06/323432706.db2.gz CRUNAVDURYJOAU-MWLCHTKSSA-N 1 0 219.288 2.019 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC(C)(C)C)c1ccc(F)cc1 ZINC000262668520 323615323 /nfs/dbraw/zinc/61/53/23/323615323.db2.gz OKJYXGZOOKNGQS-GFCCVEGCSA-N 1 0 247.317 2.203 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000121164278 324004640 /nfs/dbraw/zinc/00/46/40/324004640.db2.gz VPWCUCLIVPPJDF-UHFFFAOYSA-N 1 0 227.311 2.490 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000121340170 324012113 /nfs/dbraw/zinc/01/21/13/324012113.db2.gz SIMNHYRAWVNSLE-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000121587571 324017498 /nfs/dbraw/zinc/01/74/98/324017498.db2.gz GSLRAUYOESCBQL-RWMBFGLXSA-N 1 0 238.375 2.282 20 30 BEEDRO C[C@@H]1CCN(CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000537500180 324076441 /nfs/dbraw/zinc/07/64/41/324076441.db2.gz KTMGPXSDHCCCEC-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C(C)C)C1CC1 ZINC000125343797 324638568 /nfs/dbraw/zinc/63/85/68/324638568.db2.gz WZSJHQISHMPCHN-OLZOCXBDSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)nn1 ZINC000653558502 487965173 /nfs/dbraw/zinc/96/51/73/487965173.db2.gz GCJYZIVCOGSRAW-NEPJUHHUSA-N 1 0 234.347 2.085 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)nn1 ZINC000653558503 487965274 /nfs/dbraw/zinc/96/52/74/487965274.db2.gz GCJYZIVCOGSRAW-NWDGAFQWSA-N 1 0 234.347 2.085 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000542309524 325020319 /nfs/dbraw/zinc/02/03/19/325020319.db2.gz KAIWXXZBRZIYPJ-UHFFFAOYSA-N 1 0 240.310 2.266 20 30 BEEDRO CC1CCC(O)(C[NH+]2CCC(C#N)CC2)CC1 ZINC000130307327 325037636 /nfs/dbraw/zinc/03/76/36/325037636.db2.gz RKBFFUDEYASPRK-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO CCOC(=O)[C@@H]1CCCCN1CCCCC#N ZINC000071016567 325050080 /nfs/dbraw/zinc/05/00/80/325050080.db2.gz GTAUOZNOWXCBAG-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO CCOC(=O)[C@H]1CCCCN1CCCCC#N ZINC000071016569 325050271 /nfs/dbraw/zinc/05/02/71/325050271.db2.gz GTAUOZNOWXCBAG-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CO)Cc1ccco1 ZINC000543592121 325095808 /nfs/dbraw/zinc/09/58/08/325095808.db2.gz RCFBZEHXGREKCS-CHWSQXEVSA-N 1 0 237.343 2.375 20 30 BEEDRO N#CCSCCC[NH+]1CCC(CC#N)CC1 ZINC000543810806 325115108 /nfs/dbraw/zinc/11/51/08/325115108.db2.gz RSWVPIPOIAYUKO-UHFFFAOYSA-N 1 0 237.372 2.259 20 30 BEEDRO C[C@@]1(CO)CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000544760620 325158917 /nfs/dbraw/zinc/15/89/17/325158917.db2.gz KQJGNRKDHWZNTR-HNNXBMFYSA-N 1 0 247.313 2.024 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1 ZINC000132021740 325195259 /nfs/dbraw/zinc/19/52/59/325195259.db2.gz GLDKDINTBYNPIV-AWEZNQCLSA-N 1 0 247.338 2.472 20 30 BEEDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000545397073 325219390 /nfs/dbraw/zinc/21/93/90/325219390.db2.gz QGPWKEYSUYECGS-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000547405695 325351506 /nfs/dbraw/zinc/35/15/06/325351506.db2.gz OIXLGPVTRIQUME-BFHYXJOUSA-N 1 0 248.370 2.475 20 30 BEEDRO Cn1cc(C(C)(C)[NH2+]CCC(C)(C)C#N)cn1 ZINC000547414158 325352382 /nfs/dbraw/zinc/35/23/82/325352382.db2.gz KESWWGMBZOHHGW-UHFFFAOYSA-N 1 0 234.347 2.185 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC(C)(C)[NH+](C)C ZINC000134909026 325382390 /nfs/dbraw/zinc/38/23/90/325382390.db2.gz BNELKPNOHDVOLD-ZDUSSCGKSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CC)CC1 ZINC000134912198 325382412 /nfs/dbraw/zinc/38/24/12/325382412.db2.gz DMIGLVVVCRPVIQ-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000135006402 325387933 /nfs/dbraw/zinc/38/79/33/325387933.db2.gz GJGNQZHSPBOQEQ-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOCCC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000548751680 325477519 /nfs/dbraw/zinc/47/75/19/325477519.db2.gz WDASDPSLFPFELU-RYUDHWBXSA-N 1 0 229.389 2.405 20 30 BEEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(C#N)CC1 ZINC000552215564 325610207 /nfs/dbraw/zinc/61/02/07/325610207.db2.gz VJSCFFVKZFBVCT-NSHDSACASA-N 1 0 230.311 2.217 20 30 BEEDRO CC[C@H](COC)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248829375 325622815 /nfs/dbraw/zinc/62/28/15/325622815.db2.gz HALUPLAVQAVOQM-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000249200160 325640805 /nfs/dbraw/zinc/64/08/05/325640805.db2.gz SSEAYQODVXMMIN-QJPTWQEYSA-N 1 0 207.317 2.110 20 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2.064 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000154561320 326151046 /nfs/dbraw/zinc/15/10/46/326151046.db2.gz AUBPSXRSBUGCKV-NSHDSACASA-N 1 0 242.326 2.436 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000567363624 326175063 /nfs/dbraw/zinc/17/50/63/326175063.db2.gz NFUBJYGCSHEMHV-CYBMUJFWSA-N 1 0 229.327 2.431 20 30 BEEDRO C#CC[N@H+](CCOCC1CC1)C1CCCC1 ZINC000155778104 326211576 /nfs/dbraw/zinc/21/15/76/326211576.db2.gz JLODKQLBOCLTJZ-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H]1OCCN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC000156026871 326217284 /nfs/dbraw/zinc/21/72/84/326217284.db2.gz OYJLSHKBTGDVSV-WDEREUQCSA-N 1 0 248.301 2.307 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cn1)CC(C)(C)C ZINC000567624272 326231655 /nfs/dbraw/zinc/23/16/55/326231655.db2.gz KXAONHGGAQKLAS-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO Cc1csc(CCCC[NH2+]CCC#N)n1 ZINC000567683373 326244781 /nfs/dbraw/zinc/24/47/81/326244781.db2.gz MKVHQXZRLDYZON-UHFFFAOYSA-N 1 0 223.345 2.278 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CNCC[C@@H]1C ZINC000568248726 326328322 /nfs/dbraw/zinc/32/83/22/326328322.db2.gz YRSLAEGGJHWARO-STQMWFEESA-N 1 0 210.365 2.320 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000568248725 326328602 /nfs/dbraw/zinc/32/86/02/326328602.db2.gz YRSLAEGGJHWARO-QWHCGFSZSA-N 1 0 210.365 2.320 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(CC)c1 ZINC000568278264 326340459 /nfs/dbraw/zinc/34/04/59/326340459.db2.gz GMNPLGYLSYNTEM-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO CC1CCC(O)(C[NH2+]CC2(C#N)CCC2)CC1 ZINC000568755010 326375191 /nfs/dbraw/zinc/37/51/91/326375191.db2.gz XOCQOTOTNLJURO-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CCC[C@H]2C)nn1 ZINC000653639596 488001771 /nfs/dbraw/zinc/00/17/71/488001771.db2.gz KGPVSKNUIKSTRS-DGCLKSJQSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1CC(=O)NCC ZINC000560183213 488020391 /nfs/dbraw/zinc/02/03/91/488020391.db2.gz LBFYMRGPOXHKFJ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+](CC#CCOC)Cc1ccccc1 ZINC000677476491 488039397 /nfs/dbraw/zinc/03/93/97/488039397.db2.gz QZWVJJREKGHJNV-UHFFFAOYSA-N 1 0 229.323 2.324 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cncn1C ZINC000388431814 488045531 /nfs/dbraw/zinc/04/55/31/488045531.db2.gz NPYRRHSVAYIJFH-UHFFFAOYSA-N 1 0 207.321 2.256 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000677477472 488047221 /nfs/dbraw/zinc/04/72/21/488047221.db2.gz HPENKWAPBDKHIB-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000677479057 488048142 /nfs/dbraw/zinc/04/81/42/488048142.db2.gz IWKMVSXWFMFQBB-LBPRGKRZSA-N 1 0 231.343 2.391 20 30 BEEDRO COCC#CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000677479233 488048693 /nfs/dbraw/zinc/04/86/93/488048693.db2.gz KPGYPHYZICXWLW-GFCCVEGCSA-N 1 0 233.311 2.035 20 30 BEEDRO COCC#CC[N@H+](C1CC1)C1CCCC1 ZINC000677480409 488049757 /nfs/dbraw/zinc/04/97/57/488049757.db2.gz RQUMPKWTRLYGNC-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnn2c1CCC2 ZINC000667656311 488076535 /nfs/dbraw/zinc/07/65/35/488076535.db2.gz COWJRZPNNDQSQB-UHFFFAOYSA-N 1 0 219.332 2.227 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683018504 488095419 /nfs/dbraw/zinc/09/54/19/488095419.db2.gz RPSXYCVIZPVBMT-HOCLYGCPSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CCCC[NH+]1CCC2(CCOC2)CC1 ZINC000677719661 488101365 /nfs/dbraw/zinc/10/13/65/488101365.db2.gz YVTTYFWYENGAJR-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(N(C)C)c1 ZINC000683041281 488103087 /nfs/dbraw/zinc/10/30/87/488103087.db2.gz RZAGDGPSEBPBTE-UHFFFAOYSA-N 1 0 248.370 2.387 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000451613351 488106790 /nfs/dbraw/zinc/10/67/90/488106790.db2.gz MXEANZATHVABMC-MXWKQRLJSA-N 1 0 231.286 2.355 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680111204 487537456 /nfs/dbraw/zinc/53/74/56/487537456.db2.gz DDYNCYKOPHTKJK-NWDGAFQWSA-N 1 0 211.349 2.291 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662029867 488113844 /nfs/dbraw/zinc/11/38/44/488113844.db2.gz CHWSGKFAHIDNOE-JKSUJKDBSA-N 1 0 241.334 2.006 20 30 BEEDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CC(C)(C)S ZINC001172758059 974930718 /nfs/dbraw/zinc/93/07/18/974930718.db2.gz DZNDGSGIOSDCHB-JTQLQIEISA-N 1 0 247.404 2.405 20 30 BEEDRO C=CCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000658113408 487545266 /nfs/dbraw/zinc/54/52/66/487545266.db2.gz GRZJQHDIFUOEGE-LLVKDONJSA-N 1 0 220.316 2.187 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172764201 974931908 /nfs/dbraw/zinc/93/19/08/974931908.db2.gz CZIAPSFUMCUPFB-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000677820831 488136541 /nfs/dbraw/zinc/13/65/41/488136541.db2.gz YRGVLMYZDIIBBA-AWEZNQCLSA-N 1 0 215.296 2.083 20 30 BEEDRO C=CCCN(CC[NH3+])Cc1ccccc1 ZINC000231784381 487475666 /nfs/dbraw/zinc/47/56/66/487475666.db2.gz VLRDECJSOLIGPN-UHFFFAOYSA-N 1 0 204.317 2.023 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000657971860 487495308 /nfs/dbraw/zinc/49/53/08/487495308.db2.gz SCPBGISBICEXMV-KGLIPLIRSA-N 1 0 248.374 2.393 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1nc(C)n[nH]1 ZINC000657972102 487495346 /nfs/dbraw/zinc/49/53/46/487495346.db2.gz OUFRLXVGNINOGU-STQMWFEESA-N 1 0 248.374 2.380 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](CO)(CCC)C1 ZINC000685056452 487498854 /nfs/dbraw/zinc/49/88/54/487498854.db2.gz CYWGEEZLHDXEKC-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cnccc1C ZINC000679943507 487498320 /nfs/dbraw/zinc/49/83/20/487498320.db2.gz WKDNQDHYWBHKSZ-STQMWFEESA-N 1 0 234.343 2.368 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000679953915 487501009 /nfs/dbraw/zinc/50/10/09/487501009.db2.gz LMUGSNXSIFGKOX-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000679953914 487501242 /nfs/dbraw/zinc/50/12/42/487501242.db2.gz LMUGSNXSIFGKOX-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000677817187 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/nfs/dbraw/zinc/44/16/39/534441639.db2.gz OLYPHJLLKSTALX-NSHDSACASA-N 1 0 215.724 2.241 20 30 BEEDRO CCCCCCCCC(=O)NCC[NH2+]CC ZINC000114576657 519972935 /nfs/dbraw/zinc/97/29/35/519972935.db2.gz YZCPQYJTTAHJDI-UHFFFAOYSA-N 1 0 228.380 2.463 20 30 BEEDRO CCCCCCCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000116308777 519973089 /nfs/dbraw/zinc/97/30/89/519973089.db2.gz AFLXBPWEDMTKFS-GFCCVEGCSA-N 1 0 226.364 2.297 20 30 BEEDRO C=C1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000336403428 534464731 /nfs/dbraw/zinc/46/47/31/534464731.db2.gz XJDKSQBUHYQZPD-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C1CCN(CCC[NH+](CC)CC)CC1 ZINC000338315570 534465930 /nfs/dbraw/zinc/46/59/30/534465930.db2.gz ODJURWVJIOQEBZ-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=C1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335096030 534467418 /nfs/dbraw/zinc/46/74/18/534467418.db2.gz VEXLFVWAHFTIDH-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000362611572 534501097 /nfs/dbraw/zinc/50/10/97/534501097.db2.gz DXYIOLCEIOODBX-LLVKDONJSA-N 1 0 232.327 2.053 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000358311784 534507413 /nfs/dbraw/zinc/50/74/13/534507413.db2.gz ZPPJDBFASKJIAP-CYBMUJFWSA-N 1 0 245.370 2.210 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348090718 534512023 /nfs/dbraw/zinc/51/20/23/534512023.db2.gz XRTIKLGOBVLCLO-NEPJUHHUSA-N 1 0 242.326 2.492 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175220697 534533092 /nfs/dbraw/zinc/53/30/92/534533092.db2.gz NGRCKHFORMNXDG-LBPRGKRZSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])NC1CCC1 ZINC000263044823 534542719 /nfs/dbraw/zinc/54/27/19/534542719.db2.gz CVTYGWQKDNCBFW-UHFFFAOYSA-N 1 0 209.337 2.046 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnc2cnccn12 ZINC000339416043 534552671 /nfs/dbraw/zinc/55/26/71/534552671.db2.gz KDPJQCWHMZWXDI-UHFFFAOYSA-N 1 0 244.342 2.421 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1nccn1C ZINC000293067331 534553112 /nfs/dbraw/zinc/55/31/12/534553112.db2.gz VEEXDVBSYYCYRA-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C=CCCC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000338673559 534600764 /nfs/dbraw/zinc/60/07/64/534600764.db2.gz JQMXZEYYMNBYRN-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354440008 534603469 /nfs/dbraw/zinc/60/34/69/534603469.db2.gz SVAWNVOGXIICMZ-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354440009 534604975 /nfs/dbraw/zinc/60/49/75/534604975.db2.gz SVAWNVOGXIICMZ-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000358363593 534619690 /nfs/dbraw/zinc/61/96/90/534619690.db2.gz YFRUODCTUQLTDZ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000338674931 534618893 /nfs/dbraw/zinc/61/88/93/534618893.db2.gz RDJJOIHVWQELJG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000338674928 534624508 /nfs/dbraw/zinc/62/45/08/534624508.db2.gz RDJJOIHVWQELJG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@H]1CCSC1 ZINC000494923951 534642316 /nfs/dbraw/zinc/64/23/16/534642316.db2.gz RPTUYVBVLQEXJD-GFCCVEGCSA-N 1 0 224.373 2.365 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185832241 534651281 /nfs/dbraw/zinc/65/12/81/534651281.db2.gz ILUGNTMWBZNKCT-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC(=O)NC1CC[NH+](CCC)CC1 ZINC000359075008 534656850 /nfs/dbraw/zinc/65/68/50/534656850.db2.gz RULFXAQORUQHNK-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261753212 534661607 /nfs/dbraw/zinc/66/16/07/534661607.db2.gz MBDBMQCOXUZTKH-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO C=CCCCC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000175364269 534660009 /nfs/dbraw/zinc/66/00/09/534660009.db2.gz NWSZZYACQXHDQO-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000262549526 534664173 /nfs/dbraw/zinc/66/41/73/534664173.db2.gz XCZAHRMLFAKBEF-QWHCGFSZSA-N 1 0 245.370 2.320 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccccc1OCC ZINC000353569426 534682650 /nfs/dbraw/zinc/68/26/50/534682650.db2.gz CQUVMQOZSREBIE-NWDGAFQWSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000336744007 534685447 /nfs/dbraw/zinc/68/54/47/534685447.db2.gz YSQOFPTVVITGBC-XQQFMLRXSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCSc2ccccc21 ZINC000289839982 534685535 /nfs/dbraw/zinc/68/55/35/534685535.db2.gz PUZMHLWRRRRPHE-PWSUYJOCSA-N 1 0 235.352 2.360 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000289576563 534683885 /nfs/dbraw/zinc/68/38/85/534683885.db2.gz BGHFXQUGCSGTCD-GXTWGEPZSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000289807092 534683998 /nfs/dbraw/zinc/68/39/98/534683998.db2.gz OHDVAWUWRJAYJC-SMDDNHRTSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000353569355 534684464 /nfs/dbraw/zinc/68/44/64/534684464.db2.gz BZUBRDFGWDXXEG-YUELXQCFSA-N 1 0 246.354 2.244 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](OCCCC)C1(C)C ZINC000353580723 534685007 /nfs/dbraw/zinc/68/50/07/534685007.db2.gz XMOGCZJSKRVCSY-FRRDWIJNSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCCCC[NH2+][C@H](CC)Cn1cncn1 ZINC000309878343 534693818 /nfs/dbraw/zinc/69/38/18/534693818.db2.gz UGUUVKHEYDFHHG-GFCCVEGCSA-N 1 0 222.336 2.003 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000285206070 534693928 /nfs/dbraw/zinc/69/39/28/534693928.db2.gz OIAUWVJEYADDPX-GFCCVEGCSA-N 1 0 236.363 2.348 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCn2ccnc21 ZINC000294245175 534694743 /nfs/dbraw/zinc/69/47/43/534694743.db2.gz WHSYRVYZZIOBSQ-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000336364201 534694818 /nfs/dbraw/zinc/69/48/18/534694818.db2.gz UKRUEPZUGPTQGC-ZDUSSCGKSA-N 1 0 207.317 2.374 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(CC)CCC[NH+](C)C ZINC000338896480 534700182 /nfs/dbraw/zinc/70/01/82/534700182.db2.gz ZRCLXWLFZCYCMG-CQSZACIVSA-N 1 0 240.391 2.389 20 30 BEEDRO CC#CC[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000163134508 534709618 /nfs/dbraw/zinc/70/96/18/534709618.db2.gz RUFIOYOAPCLRBQ-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000357737697 534711297 /nfs/dbraw/zinc/71/12/97/534711297.db2.gz FMZIFDCCAZMYCL-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](CC(C)C)C(=O)OC ZINC000352014321 534714188 /nfs/dbraw/zinc/71/41/88/534714188.db2.gz MTNCASOBPWMNLE-GFCCVEGCSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000366356460 534716600 /nfs/dbraw/zinc/71/66/00/534716600.db2.gz QTEWAFULVHVKFI-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](c2nc(C)no2)C1 ZINC000346279593 534720256 /nfs/dbraw/zinc/72/02/56/534720256.db2.gz VTGNZXFLEYTQBC-NSHDSACASA-N 1 0 221.304 2.134 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000353251171 534734970 /nfs/dbraw/zinc/73/49/70/534734970.db2.gz DSIWOISERMGTMF-UHFFFAOYSA-N 1 0 246.310 2.187 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000338593201 534756765 /nfs/dbraw/zinc/75/67/65/534756765.db2.gz PGFHUPPNLGUKHS-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000305790662 534755982 /nfs/dbraw/zinc/75/59/82/534755982.db2.gz ZZCGACOPBFFJOR-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000356449648 534756607 /nfs/dbraw/zinc/75/66/07/534756607.db2.gz WVELIRVRHVQNLU-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000338360995 534768169 /nfs/dbraw/zinc/76/81/69/534768169.db2.gz KVTLLKVMLQNDIF-CYBMUJFWSA-N 1 0 227.348 2.428 20 30 BEEDRO C=CCC[N@@H+](C)CCc1ccccc1O ZINC000338570380 534767647 /nfs/dbraw/zinc/76/76/47/534767647.db2.gz IBKIYCQTEUNYSE-UHFFFAOYSA-N 1 0 205.301 2.443 20 30 BEEDRO C=CCC[N@@H+](Cc1cccc(C(N)=O)c1)C1CC1 ZINC000296807542 534774046 /nfs/dbraw/zinc/77/40/46/534774046.db2.gz RFMZVODOIWVDHH-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000368523295 534778668 /nfs/dbraw/zinc/77/86/68/534778668.db2.gz TZGAAOMQJPDEKA-CYBMUJFWSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294292156 534778992 /nfs/dbraw/zinc/77/89/92/534778992.db2.gz ZHJDGCVLAREDNP-NWDGAFQWSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCCOCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000090883955 534779987 /nfs/dbraw/zinc/77/99/87/534779987.db2.gz BOZYJJZUWMRCMW-CYBMUJFWSA-N 1 0 237.347 2.054 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCNC(=O)C(C)C)C1CC1 ZINC000178671911 534796748 /nfs/dbraw/zinc/79/67/48/534796748.db2.gz MYEWFESZFBBNEZ-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@]1(O)CCSC1)C1CC1 ZINC000121518212 534799068 /nfs/dbraw/zinc/79/90/68/534799068.db2.gz RFQIVWFMGRIGLY-OLZOCXBDSA-N 1 0 241.400 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCOC)C(C)(C)C ZINC000338361830 534800062 /nfs/dbraw/zinc/80/00/62/534800062.db2.gz RMRPGIFVGARLHC-CHWSQXEVSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)Nc1cccnc1 ZINC000358127969 534827606 /nfs/dbraw/zinc/82/76/06/534827606.db2.gz SOYDCLLRQBACOS-UHFFFAOYSA-N 1 0 245.326 2.084 20 30 BEEDRO C=CC[NH+](CC=C)Cc1c[nH]c2nccnc12 ZINC000356082460 534829476 /nfs/dbraw/zinc/82/94/76/534829476.db2.gz HXZJOPOKPHVVCP-UHFFFAOYSA-N 1 0 228.299 2.084 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](C)Sc1ccccc1 ZINC000267460847 534843764 /nfs/dbraw/zinc/84/37/64/534843764.db2.gz VAQBZCRKZQBWEW-NSHDSACASA-N 1 0 249.383 2.258 20 30 BEEDRO C=CCNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280588635 534843796 /nfs/dbraw/zinc/84/37/96/534843796.db2.gz NNGFZKQUSTVBEI-JOCQHMNTSA-N 1 0 229.327 2.023 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCC23CCCC3)C1=O ZINC000354160891 534851891 /nfs/dbraw/zinc/85/18/91/534851891.db2.gz DAIUNLYPEPFYBA-OLZOCXBDSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CCOCCC[N@@H+](C)C[C@H]1CCCCO1 ZINC000347961128 534872863 /nfs/dbraw/zinc/87/28/63/534872863.db2.gz GVIYVNMPRLHKIG-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351651757 534874656 /nfs/dbraw/zinc/87/46/56/534874656.db2.gz RGHRCZXWXZQBLG-UONOGXRCSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCC[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000339090312 534878104 /nfs/dbraw/zinc/87/81/04/534878104.db2.gz WWMLVKGTJBEYHI-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000339005542 534878210 /nfs/dbraw/zinc/87/82/10/534878210.db2.gz RPCNNHOOWCMZBU-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCOCC[NH+]1CCC2(CCOCC2)CC1 ZINC000339166755 534878645 /nfs/dbraw/zinc/87/86/45/534878645.db2.gz FOQAGGIUXWZUDV-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000339140019 534878755 /nfs/dbraw/zinc/87/87/55/534878755.db2.gz JQJHKBLTONMKKR-UWVGGRQHSA-N 1 0 237.265 2.462 20 30 BEEDRO C=CCOCC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000339000982 534878780 /nfs/dbraw/zinc/87/87/80/534878780.db2.gz FWKQXHXSFFICQT-GHMZBOCLSA-N 1 0 215.362 2.015 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000339140017 534878956 /nfs/dbraw/zinc/87/89/56/534878956.db2.gz JQJHKBLTONMKKR-NXEZZACHSA-N 1 0 237.265 2.462 20 30 BEEDRO C=CCOc1ccc(C[N@H+](C)CCCCO)cc1 ZINC000343015232 534882151 /nfs/dbraw/zinc/88/21/51/534882151.db2.gz NWFIBQMVMNBTTH-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290961415 534887242 /nfs/dbraw/zinc/88/72/42/534887242.db2.gz WHSUTFCXYVKGLA-SECBINFHSA-N 1 0 216.288 2.012 20 30 BEEDRO C=C(C)C[N@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000495679622 526606469 /nfs/dbraw/zinc/60/64/69/526606469.db2.gz LVSNFZDPDLCUBV-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=C(C)C[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000497040492 526605834 /nfs/dbraw/zinc/60/58/34/526605834.db2.gz QZUXLFFFQGAXJQ-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000495513347 526624168 /nfs/dbraw/zinc/62/41/68/526624168.db2.gz KKBCISSFOLUXBR-NWDGAFQWSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(C)COCC[NH2+]C/C=C\c1ccncc1 ZINC000487282382 526653882 /nfs/dbraw/zinc/65/38/82/526653882.db2.gz VHYXRYHFWILZTC-ARJAWSKDSA-N 1 0 232.327 2.277 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1ccccc1C ZINC000491252344 526832843 /nfs/dbraw/zinc/83/28/43/526832843.db2.gz HMSKSZGEXYETQS-ZDUSSCGKSA-N 1 0 201.313 2.491 20 30 BEEDRO C#CC[N@@H+](CCCCO)C1CCCCC1 ZINC000491752413 526900765 /nfs/dbraw/zinc/90/07/65/526900765.db2.gz MDABPYQGFMONLM-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CC[N@H+](Cc1cncnc1)C1CCCCC1 ZINC000490877242 526911918 /nfs/dbraw/zinc/91/19/18/526911918.db2.gz XHOFZIIGIOGZJY-UHFFFAOYSA-N 1 0 229.327 2.245 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(C)C[C@@H]1C ZINC000487881284 527132718 /nfs/dbraw/zinc/13/27/18/527132718.db2.gz YGFYGCPOSCMMTE-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000488120328 527135143 /nfs/dbraw/zinc/13/51/43/527135143.db2.gz CAPWWIZCPLALPC-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCC1CCOCC1 ZINC000491660340 527212799 /nfs/dbraw/zinc/21/27/99/527212799.db2.gz YGCVDYSADGCRNV-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])NCCCCCC ZINC000491451303 527227087 /nfs/dbraw/zinc/22/70/87/527227087.db2.gz FGNQINXSLCYJPL-NSHDSACASA-N 1 0 209.337 2.092 20 30 BEEDRO C#C[C@@H](CCC)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000491624699 527256676 /nfs/dbraw/zinc/25/66/76/527256676.db2.gz JTRFSJBLVMWLCC-RYUDHWBXSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000308856886 527290297 /nfs/dbraw/zinc/29/02/97/527290297.db2.gz RAZMJQLIMQOUMJ-CYBMUJFWSA-N 1 0 203.260 2.500 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000308491277 527291521 /nfs/dbraw/zinc/29/15/21/527291521.db2.gz BPYWDKQSTBYFMX-WDEREUQCSA-N 1 0 211.374 2.377 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(CC)nc1)C(C)(C)C ZINC000491711943 527291629 /nfs/dbraw/zinc/29/16/29/527291629.db2.gz VXNDKRYAGKQBPO-GFCCVEGCSA-N 1 0 231.343 2.177 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487233691 527294563 /nfs/dbraw/zinc/29/45/63/527294563.db2.gz PXBAGEMQTHMTKX-RWMBFGLXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487233689 527294878 /nfs/dbraw/zinc/29/48/78/527294878.db2.gz PXBAGEMQTHMTKX-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCCC12CCOCC2 ZINC000300976954 527363746 /nfs/dbraw/zinc/36/37/46/527363746.db2.gz SUVMDDFLDXBJOI-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCCOCC[NH2+]C/C=C\c1ccncc1 ZINC000487578251 527366109 /nfs/dbraw/zinc/36/61/09/527366109.db2.gz SSKHOXRQIOJSFS-PLNGDYQASA-N 1 0 232.327 2.277 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)C(C)(C)C ZINC000308919903 527413372 /nfs/dbraw/zinc/41/33/72/527413372.db2.gz BYVURPGCMSKZKK-UTUOFQBUSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCO[C@H](CC)C1 ZINC000494457506 527424155 /nfs/dbraw/zinc/42/41/55/527424155.db2.gz ZECLKIFLZHYGEB-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)OCC)C1 ZINC000495382675 527425259 /nfs/dbraw/zinc/42/52/59/527425259.db2.gz SEWBDWNZUVUOFL-VXGBXAGGSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccccc1 ZINC000306173665 527472590 /nfs/dbraw/zinc/47/25/90/527472590.db2.gz BNDVKRFDADLLTP-CYBMUJFWSA-N 1 0 205.301 2.103 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404100216 527569425 /nfs/dbraw/zinc/56/94/25/527569425.db2.gz CWSNCGIFYSEUOX-VIFPVBQESA-N 1 0 204.248 2.361 20 30 BEEDRO CCC(CC)(CCO)[NH2+]CCCCC#N ZINC000336747045 534926870 /nfs/dbraw/zinc/92/68/70/534926870.db2.gz BORXOXMUHQOIHQ-UHFFFAOYSA-N 1 0 212.337 2.211 20 30 BEEDRO CCC(CC)(CNC(=[NH2+])NC)c1ccccc1 ZINC000266166109 534939937 /nfs/dbraw/zinc/93/99/37/534939937.db2.gz YESDTUYDEZVTBK-UHFFFAOYSA-N 1 0 233.359 2.279 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375718439 534981390 /nfs/dbraw/zinc/98/13/90/534981390.db2.gz IRQKIUCEJJQJCN-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000365848582 534998649 /nfs/dbraw/zinc/99/86/49/534998649.db2.gz ROKVXQFTLMHHTB-CYBMUJFWSA-N 1 0 246.358 2.460 20 30 BEEDRO CC(C)(CCC#N)CN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353683432 534998785 /nfs/dbraw/zinc/99/87/85/534998785.db2.gz FNJUVSNYQUYODS-OLZOCXBDSA-N 1 0 235.375 2.000 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000174415011 535006525 /nfs/dbraw/zinc/00/65/25/535006525.db2.gz ZFFBQSYLTZVDTF-LBPRGKRZSA-N 1 0 246.358 2.187 20 30 BEEDRO CCC(CC)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342728234 535077855 /nfs/dbraw/zinc/07/78/55/535077855.db2.gz LRCTXCLMTZRCPV-UHFFFAOYSA-N 1 0 242.326 2.484 20 30 BEEDRO CCCO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000085256888 535208015 /nfs/dbraw/zinc/20/80/15/535208015.db2.gz UCTMWQBGXYXTSN-NTCAYCPXSA-N 1 0 248.326 2.284 20 30 BEEDRO CCC(N)=[NH+]OCc1cccc(COC)c1 ZINC000269467734 535227459 /nfs/dbraw/zinc/22/74/59/535227459.db2.gz JZFOMPMHXBANNF-UHFFFAOYSA-N 1 0 222.288 2.032 20 30 BEEDRO CCN/C(=[NH+]/CC)N1CCS[C@H](C(C)C)C1 ZINC000261774546 535260652 /nfs/dbraw/zinc/26/06/52/535260652.db2.gz OKYLRHCIBPEKDJ-NSHDSACASA-N 1 0 243.420 2.045 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1c2ccccc2O[C@@H]1C ZINC000288756748 535262605 /nfs/dbraw/zinc/26/26/05/535262605.db2.gz RPWZMKVHARRIHG-MFKMUULPSA-N 1 0 247.342 2.213 20 30 BEEDRO CCNC(N[C@H]1C[C@H]1c1cccc(F)c1)=[NH+]CC ZINC000066244158 535266415 /nfs/dbraw/zinc/26/64/15/535266415.db2.gz MJEZSSJMXLWSFU-STQMWFEESA-N 1 0 249.333 2.257 20 30 BEEDRO CC(C)[C@]1(CO)CCC[N@H+](CCCCC#N)C1 ZINC000339706275 535310142 /nfs/dbraw/zinc/31/01/42/535310142.db2.gz FPGMSVOVOKNOLR-CQSZACIVSA-N 1 0 238.375 2.411 20 30 BEEDRO CC(C)OCCC[N@H+](C)CCCSCC#N ZINC000342154351 535324539 /nfs/dbraw/zinc/32/45/39/535324539.db2.gz POIHSGAVKPSVCH-UHFFFAOYSA-N 1 0 244.404 2.380 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCCc1cccs1 ZINC000264088629 535385022 /nfs/dbraw/zinc/38/50/22/535385022.db2.gz KJLSGLLRUNTLDM-UHFFFAOYSA-N 1 0 239.388 2.241 20 30 BEEDRO CC(C)CCNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000274046247 535385061 /nfs/dbraw/zinc/38/50/61/535385061.db2.gz NSEAVRVKQMJXHU-LBPRGKRZSA-N 1 0 247.342 2.071 20 30 BEEDRO CCNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000280618310 535425254 /nfs/dbraw/zinc/42/52/54/535425254.db2.gz RFNPTHAFHUZKTI-WDEREUQCSA-N 1 0 237.734 2.120 20 30 BEEDRO CCOCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000104162033 535438839 /nfs/dbraw/zinc/43/88/39/535438839.db2.gz VMVRMHOWLRQCPO-UHFFFAOYSA-N 1 0 235.331 2.067 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)CCC(C)(C)C#N ZINC000336672968 535556037 /nfs/dbraw/zinc/55/60/37/535556037.db2.gz GSDVPOFWXWAWLM-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO CCCn1nc(C)c(C[NH2+]CCCC#N)c1C ZINC000273115532 535624579 /nfs/dbraw/zinc/62/45/79/535624579.db2.gz YIPSYBNKHVREOP-UHFFFAOYSA-N 1 0 234.347 2.303 20 30 BEEDRO CCOc1ccc(O)c(C[NH2+]CCCC#N)c1 ZINC000273049065 535752481 /nfs/dbraw/zinc/75/24/81/535752481.db2.gz KEDGZYSIQWYLSD-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO CCOC1CC([NH2+]CCc2cccc(C#N)c2)C1 ZINC000343508397 535760114 /nfs/dbraw/zinc/76/01/14/535760114.db2.gz IKFXPPXJZKBILK-UHFFFAOYSA-N 1 0 244.338 2.258 20 30 BEEDRO CCNC(N[C@H]1C[C@H]1Cc1ccccc1)=[NH+]CC ZINC000267435112 535786875 /nfs/dbraw/zinc/78/68/75/535786875.db2.gz NRQFUNZNROQMBJ-KGLIPLIRSA-N 1 0 245.370 2.193 20 30 BEEDRO CCc1nn(C)cc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361436302 535829482 /nfs/dbraw/zinc/82/94/82/535829482.db2.gz URWJSTMJOPXOGN-DGCLKSJQSA-N 1 0 246.358 2.154 20 30 BEEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262318982 535903306 /nfs/dbraw/zinc/90/33/06/535903306.db2.gz VEQHYEGZNYMDQO-GMSGAONNSA-N 1 0 239.269 2.490 20 30 BEEDRO CC[C@]1(C)CC[N@H+](CCOCCC#N)C1 ZINC000339018308 535908711 /nfs/dbraw/zinc/90/87/11/535908711.db2.gz VZVIJSOJEAAAQS-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335740957 535962024 /nfs/dbraw/zinc/96/20/24/535962024.db2.gz GTIUUFMONIAKRO-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[C@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000304315232 535979116 /nfs/dbraw/zinc/97/91/16/535979116.db2.gz RHKGBPLKNZWVLZ-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO CCn1ccnc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000296339287 536112140 /nfs/dbraw/zinc/11/21/40/536112140.db2.gz HTCSFSRUUAHNBX-NEPJUHHUSA-N 1 0 232.331 2.075 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCC[C@@H]1O ZINC000305797034 536314301 /nfs/dbraw/zinc/31/43/01/536314301.db2.gz FZCYXSGHSGAGAO-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@H]1O ZINC000252923613 536314571 /nfs/dbraw/zinc/31/45/71/536314571.db2.gz KCKADFOIALQLPI-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCC[C@H]1O ZINC000305691142 536314678 /nfs/dbraw/zinc/31/46/78/536314678.db2.gz ROLNYPOWFVAVPF-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1CCCC[C@H]1O ZINC000252923614 536314806 /nfs/dbraw/zinc/31/48/06/536314806.db2.gz KCKADFOIALQLPI-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C[N@H+](CCCCC#N)CC[C@H]1CCCO1 ZINC000342609306 536329100 /nfs/dbraw/zinc/32/91/00/536329100.db2.gz VFMDOQWDPXAQNW-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO CN1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000336407052 536343458 /nfs/dbraw/zinc/34/34/58/536343458.db2.gz LXLHRQYDVLYHBR-UHFFFAOYSA-N 1 0 235.375 2.000 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336756535 536602980 /nfs/dbraw/zinc/60/29/80/536602980.db2.gz HCWWHWSUXOBGLN-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO COC1(C[C@H](C)[NH2+]CC(C)(C)C#N)CCC1 ZINC000336752538 536693472 /nfs/dbraw/zinc/69/34/72/536693472.db2.gz DKJVZDQAHGIFCO-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO COC1CC([N@H+](C)Cc2cc(C#N)ccc2F)C1 ZINC000352201363 536717331 /nfs/dbraw/zinc/71/73/31/536717331.db2.gz FGSKNAPVKNAUMD-UHFFFAOYSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1(C)C ZINC000227829155 536796969 /nfs/dbraw/zinc/79/69/69/536796969.db2.gz HQTYCDIOIDZRIE-ZIAGYGMSSA-N 1 0 244.338 2.461 20 30 BEEDRO COCC1(C#N)CC[NH+](CCC2CC2)CC1 ZINC000341997201 536801163 /nfs/dbraw/zinc/80/11/63/536801163.db2.gz WCOLDXYDJGUPGF-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO COCC1(C[N@H+](C[C@H](C)C#N)C2CC2)CCC1 ZINC000361328290 536820874 /nfs/dbraw/zinc/82/08/74/536820874.db2.gz JZIFQVTVJXIWAO-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO COCC[C@H]1CCCC[N@H+](CCCC#N)C1 ZINC000368656154 536822493 /nfs/dbraw/zinc/82/24/93/536822493.db2.gz UDIRGPKRJMXMAN-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000366467551 536836330 /nfs/dbraw/zinc/83/63/30/536836330.db2.gz AWUXIHINQOOFMB-UONOGXRCSA-N 1 0 249.358 2.321 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000134937036 538114121 /nfs/dbraw/zinc/11/41/21/538114121.db2.gz XUVFAZWLXVFGGE-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1ccc(C)cc1 ZINC000851738318 582965330 /nfs/dbraw/zinc/96/53/30/582965330.db2.gz DGNWHXOXWUFLAG-UHFFFAOYSA-N 1 0 231.339 2.467 20 30 BEEDRO C#C[C@H](CCCC)Oc1cc[nH+]c(N)c1 ZINC001226653794 974996759 /nfs/dbraw/zinc/99/67/59/974996759.db2.gz POSOTOWXCLMCHL-SNVBAGLBSA-N 1 0 204.273 2.235 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853105534 588720525 /nfs/dbraw/zinc/72/05/25/588720525.db2.gz ICLSSBJLERSFHW-CYBMUJFWSA-N 1 0 247.342 2.035 20 30 BEEDRO C#CCCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000853100265 588719957 /nfs/dbraw/zinc/71/99/57/588719957.db2.gz AZUJAIPXUSTWAJ-UHFFFAOYSA-N 1 0 244.338 2.043 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)c1ccccn1 ZINC000853103054 588720114 /nfs/dbraw/zinc/72/01/14/588720114.db2.gz MAEQWUHRSLUNNA-OCCSQVGLSA-N 1 0 234.343 2.449 20 30 BEEDRO C#Cc1cccnc1NC[C@H]1CC[N@@H+](CCC)C1 ZINC000853230407 588728025 /nfs/dbraw/zinc/72/80/25/588728025.db2.gz YXKCCCMLHFSKFB-CYBMUJFWSA-N 1 0 243.354 2.207 20 30 BEEDRO CC[C@H]1CCCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000853329565 588733413 /nfs/dbraw/zinc/73/34/13/588733413.db2.gz BTTJZJAQBBLCCA-QWRGUYRKSA-N 1 0 236.363 2.270 20 30 BEEDRO CC[C@H]1CCCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000853329564 588733427 /nfs/dbraw/zinc/73/34/27/588733427.db2.gz BTTJZJAQBBLCCA-MNOVXSKESA-N 1 0 236.363 2.270 20 30 BEEDRO C(=NOCC1CC1)c1ccnn1-c1cc[nH+]cc1 ZINC000853349180 588736667 /nfs/dbraw/zinc/73/66/67/588736667.db2.gz SKQVYHYKTITRNG-UHFFFAOYSA-N 1 0 242.282 2.028 20 30 BEEDRO CC(C)ON=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853353775 588737187 /nfs/dbraw/zinc/73/71/87/588737187.db2.gz LRRDROQUEJNWGO-UHFFFAOYSA-N 1 0 230.271 2.026 20 30 BEEDRO CC(CC[NH+](C)C)N=Nc1ccnc(Cl)c1 ZINC000853395193 588740704 /nfs/dbraw/zinc/74/07/04/588740704.db2.gz OIJDGMNGARHXCR-UHFFFAOYSA-N 1 0 240.738 2.475 20 30 BEEDRO Cc1ccc(N=NC2C[N@@H+](C)C[C@@H]2C)cc1F ZINC000853438966 588742501 /nfs/dbraw/zinc/74/25/01/588742501.db2.gz VYTRALRAEQMLHZ-JTQLQIEISA-N 1 0 235.306 2.484 20 30 BEEDRO C#CCC[N@H+]1CC(C)(C)[C@@H]1c1ccncc1 ZINC000854040401 588772481 /nfs/dbraw/zinc/77/24/81/588772481.db2.gz RUUXBSQKWUFPIP-ZDUSSCGKSA-N 1 0 214.312 2.488 20 30 BEEDRO C=C(Cl)C[NH+]1CCC(COC)CC1 ZINC000112412182 588797745 /nfs/dbraw/zinc/79/77/45/588797745.db2.gz KIWUMIMXEIULFG-UHFFFAOYSA-N 1 0 203.713 2.097 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000890545048 582469238 /nfs/dbraw/zinc/46/92/38/582469238.db2.gz CITHHQHVCZTPAP-CHWSQXEVSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000890549137 582470890 /nfs/dbraw/zinc/47/08/90/582470890.db2.gz HSERSDXXSXTXCO-TZMCWYRMSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000890553694 582473671 /nfs/dbraw/zinc/47/36/71/582473671.db2.gz YVSPUCGKKKDWBK-LBPRGKRZSA-N 1 0 241.294 2.125 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000890562513 582477898 /nfs/dbraw/zinc/47/78/98/582477898.db2.gz ABPNAASMAUOECH-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000890563203 582479239 /nfs/dbraw/zinc/47/92/39/582479239.db2.gz PTADFZJCZMFWFT-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC000890563202 582479277 /nfs/dbraw/zinc/47/92/77/582479277.db2.gz PTADFZJCZMFWFT-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)COC)cc1 ZINC000113311009 588831120 /nfs/dbraw/zinc/83/11/20/588831120.db2.gz LVOKAIWJPGCOAA-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOC1CCC1 ZINC000812235190 582497243 /nfs/dbraw/zinc/49/72/43/582497243.db2.gz OQGBGSKVMBJFHY-VIFPVBQESA-N 1 0 208.305 2.026 20 30 BEEDRO C#CCCCCCC(=O)NCC[C@H](C)[NH+](C)C ZINC000855416686 588832146 /nfs/dbraw/zinc/83/21/46/588832146.db2.gz YTXAMBXOYOKHEE-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000813097653 582579109 /nfs/dbraw/zinc/57/91/09/582579109.db2.gz BDZNLJSPEJSDPR-UHFFFAOYSA-N 1 0 244.338 2.198 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](OC)C1)C(C)C ZINC000300996882 582602429 /nfs/dbraw/zinc/60/24/29/582602429.db2.gz WLHNQWQBXDGRIE-AGIUHOORSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](OC)C1)C(C)C ZINC000300996898 582602543 /nfs/dbraw/zinc/60/25/43/582602543.db2.gz WLHNQWQBXDGRIE-XQQFMLRXSA-N 1 0 209.333 2.191 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 ZINC000891313887 582663433 /nfs/dbraw/zinc/66/34/33/582663433.db2.gz BSJPUMRMYQTSJV-CQSZACIVSA-N 1 0 242.322 2.091 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000847017330 582674046 /nfs/dbraw/zinc/67/40/46/582674046.db2.gz BSHBHCBAWXNJMP-STQMWFEESA-N 1 0 229.327 2.191 20 30 BEEDRO C[NH+](C)C1CCN(Cc2csc(C#N)c2)CC1 ZINC000891665363 582707810 /nfs/dbraw/zinc/70/78/10/582707810.db2.gz ILMMAYQXRFSYIL-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO Cc1cc(F)ncc1CN(C)C[C@@H](C)C#N ZINC000891716369 582712780 /nfs/dbraw/zinc/71/27/80/582712780.db2.gz PGWULWFSTRGVHB-VIFPVBQESA-N 1 0 221.279 2.121 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1C[C@]1(C)Br ZINC000891805217 582724621 /nfs/dbraw/zinc/72/46/21/582724621.db2.gz FOXDZTAECIQQJI-ZJUUUORDSA-N 1 0 230.149 2.115 20 30 BEEDRO CC(C)c1ccc(C=NNC2=[NH+]C[C@H](C)N2)cc1 ZINC000779794659 582733258 /nfs/dbraw/zinc/73/32/58/582733258.db2.gz KMLARHFMXLTICZ-NSHDSACASA-N 1 0 244.342 2.081 20 30 BEEDRO C=C(CC)CNC(=O)N(C)CCCCCC[NH3+] ZINC000891941812 582741610 /nfs/dbraw/zinc/74/16/10/582741610.db2.gz DWJWFTDMRVIOHC-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO C=C1CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000891944351 582742603 /nfs/dbraw/zinc/74/26/03/582742603.db2.gz ZKFBQTAJJHKCFA-UHFFFAOYSA-N 1 0 231.343 2.450 20 30 BEEDRO CCCCCCCNC(=O)C[NH2+]C(C)C ZINC000100069294 582753122 /nfs/dbraw/zinc/75/31/22/582753122.db2.gz FNAVHAORPGQNLB-UHFFFAOYSA-N 1 0 214.353 2.071 20 30 BEEDRO CC[N@@H+]1CCN(Cc2csc(C#N)c2)C[C@@H]1C ZINC000891993981 582756270 /nfs/dbraw/zinc/75/62/70/582756270.db2.gz YNOTXBNGRSDTML-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000892057113 582777234 /nfs/dbraw/zinc/77/72/34/582777234.db2.gz WUSSMEXUOKMEIP-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cs1 ZINC000892176168 582805032 /nfs/dbraw/zinc/80/50/32/582805032.db2.gz RTNQYKODKWXICT-CYBMUJFWSA-N 1 0 248.351 2.232 20 30 BEEDRO C#CCCNC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000849008267 582822979 /nfs/dbraw/zinc/82/29/79/582822979.db2.gz CKXLQCNBJPHTRN-UHFFFAOYSA-N 1 0 245.326 2.433 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@@H]1CC ZINC000849036446 582837408 /nfs/dbraw/zinc/83/74/08/582837408.db2.gz SHAOMMNMYOAARQ-QWRGUYRKSA-N 1 0 209.337 2.113 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000849046800 582841180 /nfs/dbraw/zinc/84/11/80/582841180.db2.gz DBUCTZVEIGOIQZ-GXSJLCMTSA-N 1 0 223.364 2.139 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1nc(C(C)(C)C)no1 ZINC000743486142 582849466 /nfs/dbraw/zinc/84/94/66/582849466.db2.gz ZQMZLBTVMFDWFB-JTQLQIEISA-N 1 0 235.331 2.431 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNCC#Cc1ccccc1 ZINC000892517160 582905065 /nfs/dbraw/zinc/90/50/65/582905065.db2.gz BNAQFOFGLPPHFS-OAHLLOKOSA-N 1 0 244.382 2.358 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccc(C)nn1 ZINC000850354364 582913792 /nfs/dbraw/zinc/91/37/92/582913792.db2.gz DWQINCQTQPIHEB-UHFFFAOYSA-N 1 0 237.372 2.184 20 30 BEEDRO C=CCOCCNc1cc[nH+]c2ccccc12 ZINC000393854095 582930013 /nfs/dbraw/zinc/93/00/13/582930013.db2.gz XUFJKJGIPYGQCS-UHFFFAOYSA-N 1 0 228.295 2.271 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000851773129 582966727 /nfs/dbraw/zinc/96/67/27/582966727.db2.gz JJHOVCRDPDLHJY-MRXNPFEDSA-N 1 0 243.350 2.126 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000851808379 582968609 /nfs/dbraw/zinc/96/86/09/582968609.db2.gz MVIJNIQQSNGBLQ-MRXNPFEDSA-N 1 0 243.350 2.300 20 30 BEEDRO C#CCOCC[N@@H+]1CCCC2(CCCC2)C1 ZINC000851967446 582985713 /nfs/dbraw/zinc/98/57/13/582985713.db2.gz BEBHQQLGMQHSLF-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000852104659 583003096 /nfs/dbraw/zinc/00/30/96/583003096.db2.gz LQCCQMLXZOKGMZ-HNNXBMFYSA-N 1 0 226.323 2.492 20 30 BEEDRO COc1nccc(C[NH2+]CCCCC#N)c1F ZINC000892930124 583010916 /nfs/dbraw/zinc/01/09/16/583010916.db2.gz RXGJSLDGAKNRGK-UHFFFAOYSA-N 1 0 237.278 2.013 20 30 BEEDRO N#CCCCC[NH2+]CC#Cc1ccccc1 ZINC000892929316 583011261 /nfs/dbraw/zinc/01/12/61/583011261.db2.gz GUMQETOWELPUEU-UHFFFAOYSA-N 1 0 212.296 2.322 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892950727 583016759 /nfs/dbraw/zinc/01/67/59/583016759.db2.gz PCAOAPBECRTJFQ-SNVBAGLBSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccnc(OC)c1F ZINC000892951092 583017807 /nfs/dbraw/zinc/01/78/07/583017807.db2.gz RRFCBFXKPOUFTC-VIFPVBQESA-N 1 0 224.279 2.284 20 30 BEEDRO CC[C@@H](C[C@@H](C)CO)[NH2+]CC#Cc1ccccc1 ZINC000893073609 583041626 /nfs/dbraw/zinc/04/16/26/583041626.db2.gz CXJDYSZKUPUVBY-ZBFHGGJFSA-N 1 0 245.366 2.425 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000856757160 588876114 /nfs/dbraw/zinc/87/61/14/588876114.db2.gz WDICDLNJNDEKKL-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000856753007 588876146 /nfs/dbraw/zinc/87/61/46/588876146.db2.gz UFABTBFPJBDTSI-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(OCC)o1 ZINC000893252004 583078475 /nfs/dbraw/zinc/07/84/75/583078475.db2.gz WBPPHMSINIVHMW-UHFFFAOYSA-N 1 0 239.315 2.361 20 30 BEEDRO CO[C@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000893284205 583085222 /nfs/dbraw/zinc/08/52/22/583085222.db2.gz DARYXFVPZAXTOC-CVEARBPZSA-N 1 0 243.350 2.443 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893284395 583085242 /nfs/dbraw/zinc/08/52/42/583085242.db2.gz QUZFHCRQBJDCDT-HIFRSBDPSA-N 1 0 245.366 2.491 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CSCCC ZINC000893284162 583085361 /nfs/dbraw/zinc/08/53/61/583085361.db2.gz QHLKGZDXVSOFBQ-NEPJUHHUSA-N 1 0 231.405 2.292 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893284397 583085391 /nfs/dbraw/zinc/08/53/91/583085391.db2.gz QUZFHCRQBJDCDT-ZFWWWQNUSA-N 1 0 245.366 2.491 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccco1)[C@@H]1CCCO1 ZINC000775572038 583093886 /nfs/dbraw/zinc/09/38/86/583093886.db2.gz NZTYUTUAEBYEGQ-QEJZJMRPSA-N 1 0 247.338 2.371 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000893544029 583160070 /nfs/dbraw/zinc/16/00/70/583160070.db2.gz ILPUMLNUURZSGF-ZBOXLXRLSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000893544466 583160250 /nfs/dbraw/zinc/16/02/50/583160250.db2.gz LKNUWPLMMKHIDY-MBNYWOFBSA-N 1 0 244.338 2.375 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000893550219 583162884 /nfs/dbraw/zinc/16/28/84/583162884.db2.gz CYEPCKNXPZEDBN-PSASIEDQSA-N 1 0 245.164 2.299 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1 ZINC000857060895 588884470 /nfs/dbraw/zinc/88/44/70/588884470.db2.gz FUQPQNWIFWMQCZ-XJKSGUPXSA-N 1 0 243.350 2.118 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1 ZINC000840980275 583214877 /nfs/dbraw/zinc/21/48/77/583214877.db2.gz WOYOKHFCTXPOES-HZPDHXFCSA-N 1 0 243.350 2.309 20 30 BEEDRO Cc1cc(C#N)nc(N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000893914279 583245699 /nfs/dbraw/zinc/24/56/99/583245699.db2.gz MVWZFTVGSUGQFD-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(O)c(F)c1 ZINC000893991256 583267912 /nfs/dbraw/zinc/26/79/12/583267912.db2.gz ACAOPCNAYWQQQG-UHFFFAOYSA-N 1 0 239.290 2.166 20 30 BEEDRO Cc1coc(CN2CCC(C#N)CC2)c1 ZINC000893984443 583268603 /nfs/dbraw/zinc/26/86/03/583268603.db2.gz OYAOHVPULREASW-UHFFFAOYSA-N 1 0 204.273 2.324 20 30 BEEDRO C[C@@H]([NH2+]CCC#N)[C@@H]1COc2ccccc2C1 ZINC000894081925 583294208 /nfs/dbraw/zinc/29/42/08/583294208.db2.gz JWWIYCFXSMHEDY-YPMHNXCESA-N 1 0 230.311 2.129 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000894091920 583300246 /nfs/dbraw/zinc/30/02/46/583300246.db2.gz VUHWOBDETAMNGI-GFCCVEGCSA-N 1 0 245.370 2.449 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(OCCOC)o1 ZINC000894120128 583310022 /nfs/dbraw/zinc/31/00/22/583310022.db2.gz KCCIGIWMHIAPRA-UHFFFAOYSA-N 1 0 239.315 2.361 20 30 BEEDRO N#CCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000894197439 583335501 /nfs/dbraw/zinc/33/55/01/583335501.db2.gz IHTWDCHURXVFLA-UHFFFAOYSA-N 1 0 224.307 2.322 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000877623723 583339959 /nfs/dbraw/zinc/33/99/59/583339959.db2.gz YHZLNBVXLYREMX-QWHCGFSZSA-N 1 0 246.358 2.457 20 30 BEEDRO COCCCC1(C[NH2+]CC2(C#N)CC2)CCC1 ZINC000894203929 583340087 /nfs/dbraw/zinc/34/00/87/583340087.db2.gz IWQTUQVMUKFMTL-UHFFFAOYSA-N 1 0 236.359 2.477 20 30 BEEDRO COc1ccc(O)c(/C=N\CC[C@@H](C)OC)c1 ZINC000726430452 583353929 /nfs/dbraw/zinc/35/39/29/583353929.db2.gz ZKHARKSXUVSDDF-AHEVQNHNSA-N 1 0 237.299 2.245 20 30 BEEDRO COc1ccc(O)c(/C=N/CC[C@H](C)OC)c1 ZINC000726430456 583354593 /nfs/dbraw/zinc/35/45/93/583354593.db2.gz ZKHARKSXUVSDDF-RSYJBZMQSA-N 1 0 237.299 2.245 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857237806 588900893 /nfs/dbraw/zinc/90/08/93/588900893.db2.gz UFSDLAUVPLLEED-GRYCIOLGSA-N 1 0 224.348 2.065 20 30 BEEDRO N#CCC[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857238850 588901081 /nfs/dbraw/zinc/90/10/81/588901081.db2.gz FLPBIYAWXYOBOO-ZETCQYMHSA-N 1 0 207.104 2.074 20 30 BEEDRO C=CCCc1noc(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000857253993 588901420 /nfs/dbraw/zinc/90/14/20/588901420.db2.gz VMTOYFQVIXMSHN-NSHDSACASA-N 1 0 235.331 2.120 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000878453997 583375968 /nfs/dbraw/zinc/37/59/68/583375968.db2.gz QNXOACVGZCCEPI-ZIAGYGMSSA-N 1 0 233.355 2.337 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(C)ccnc1N ZINC000894259643 583397778 /nfs/dbraw/zinc/39/77/78/583397778.db2.gz FOWATTKZJSWDCG-JTQLQIEISA-N 1 0 205.305 2.026 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC000894331959 583425294 /nfs/dbraw/zinc/42/52/94/583425294.db2.gz KYINUMFRILEBNW-SECBINFHSA-N 1 0 236.315 2.028 20 30 BEEDRO CC(C)(O)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000879628232 583441708 /nfs/dbraw/zinc/44/17/08/583441708.db2.gz MIKBAINAPHBNEP-DGCLKSJQSA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894383453 583442443 /nfs/dbraw/zinc/44/24/43/583442443.db2.gz LLAWZOJCRWALCE-JTQLQIEISA-N 1 0 219.332 2.192 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CCC(OC)CC1)C(C)C ZINC000894387058 583443344 /nfs/dbraw/zinc/44/33/44/583443344.db2.gz HXKOLZXIXRYUPS-JXQTWKCFSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@@H](C)[NH2+]CC1(CCCOC)CCC1 ZINC000894384749 583443660 /nfs/dbraw/zinc/44/36/60/583443660.db2.gz UNPPSQAGONVYIW-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(F)c(C)c1)C(C)C ZINC000894386797 583443755 /nfs/dbraw/zinc/44/37/55/583443755.db2.gz FETAKJSUPFSRRH-LBPRGKRZSA-N 1 0 220.291 2.277 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000894386674 583444145 /nfs/dbraw/zinc/44/41/45/583444145.db2.gz CLXTTWGKOQJGQA-XDSHMYFISA-N 1 0 233.355 2.047 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000894387454 583444341 /nfs/dbraw/zinc/44/43/41/583444341.db2.gz MSIYZHZQMDEHCX-CYBMUJFWSA-N 1 0 245.322 2.283 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000894387581 583444415 /nfs/dbraw/zinc/44/44/15/583444415.db2.gz QHBXNNMVSRCSPI-AWEZNQCLSA-N 1 0 231.343 2.185 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000894387370 583444517 /nfs/dbraw/zinc/44/45/17/583444517.db2.gz MFCIELUQKGJPRX-SNVBAGLBSA-N 1 0 230.267 2.035 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)C(C)C ZINC000894387688 583444906 /nfs/dbraw/zinc/44/49/06/583444906.db2.gz TZGZQZOZIZGJQP-LLVKDONJSA-N 1 0 244.294 2.281 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)COCCOC ZINC000894608996 583492361 /nfs/dbraw/zinc/49/23/61/583492361.db2.gz CFHYTDSPAMMIEC-LBPRGKRZSA-N 1 0 229.364 2.230 20 30 BEEDRO C[C@@H]1CN(Cc2csc(C#N)c2)C[C@H](C)[N@H+]1C ZINC000894639504 583498554 /nfs/dbraw/zinc/49/85/54/583498554.db2.gz NQFPWIOIDNMHMV-PHIMTYICSA-N 1 0 249.383 2.144 20 30 BEEDRO CCn1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c(C)n1 ZINC000894694829 583509363 /nfs/dbraw/zinc/50/93/63/583509363.db2.gz GXEIIYKOZSDLFY-JSGCOSHPSA-N 1 0 246.358 2.383 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894712088 583510835 /nfs/dbraw/zinc/51/08/35/583510835.db2.gz OKOYNSKXMGCEJI-RYUDHWBXSA-N 1 0 243.322 2.176 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CSCCC ZINC000894769483 583516887 /nfs/dbraw/zinc/51/68/87/583516887.db2.gz NEUXZSOLKQKDFS-VXGBXAGGSA-N 1 0 231.405 2.435 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894775176 583518037 /nfs/dbraw/zinc/51/80/37/583518037.db2.gz GSJVIDXASSNPQS-NWDGAFQWSA-N 1 0 243.322 2.176 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ocnc1C)C(C)(C)C ZINC000894784462 583521609 /nfs/dbraw/zinc/52/16/09/583521609.db2.gz LFZUSRMVXVNYKI-LLVKDONJSA-N 1 0 206.289 2.121 20 30 BEEDRO Cc1ncoc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894881702 583544320 /nfs/dbraw/zinc/54/43/20/583544320.db2.gz ZQWFPLFEYMFYTF-QWRGUYRKSA-N 1 0 219.288 2.155 20 30 BEEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H](O)C(C)C ZINC000894915878 583555241 /nfs/dbraw/zinc/55/52/41/583555241.db2.gz PLDDVNPBASHHMJ-CVEARBPZSA-N 1 0 245.366 2.423 20 30 BEEDRO CCC[C@H]1CN(c2cccc(F)c2C#N)CC[NH2+]1 ZINC000895058456 583575846 /nfs/dbraw/zinc/57/58/46/583575846.db2.gz LOOCSGBWXYCZSC-NSHDSACASA-N 1 0 247.317 2.276 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857853725 588913278 /nfs/dbraw/zinc/91/32/78/588913278.db2.gz VPGGLZKZMLNVAM-NSHDSACASA-N 1 0 218.304 2.071 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857856552 588913538 /nfs/dbraw/zinc/91/35/38/588913538.db2.gz AJKFXRAAIZHBRE-LLVKDONJSA-N 1 0 237.372 2.296 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2c(C)ccnc2N)C1 ZINC000895077443 583581363 /nfs/dbraw/zinc/58/13/63/583581363.db2.gz GGJFSSPJNSAARS-ZDUSSCGKSA-N 1 0 243.354 2.208 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]CCc1cc(C)cc(C)c1 ZINC000895103083 583588997 /nfs/dbraw/zinc/58/89/97/583588997.db2.gz LZCVCJPHTRMVSN-INIZCTEOSA-N 1 0 245.366 2.210 20 30 BEEDRO CC[C@@H](C)C[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000895112615 583591531 /nfs/dbraw/zinc/59/15/31/583591531.db2.gz RLWLKSVLNUMMPI-ZBFHGGJFSA-N 1 0 245.366 2.425 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000895114991 583591536 /nfs/dbraw/zinc/59/15/36/583591536.db2.gz LBVFJBFVHOCYCD-UHFFFAOYSA-N 1 0 243.354 2.453 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@H]1CCc2ccccc21 ZINC000895131556 583601259 /nfs/dbraw/zinc/60/12/59/583601259.db2.gz JFFDNXZNWXWGII-CABCVRRESA-N 1 0 243.350 2.080 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895158850 583608358 /nfs/dbraw/zinc/60/83/58/583608358.db2.gz PKDQVWFMESNBSR-RYUDHWBXSA-N 1 0 240.347 2.091 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857869082 588916062 /nfs/dbraw/zinc/91/60/62/588916062.db2.gz JKRBQXQJMVAANH-NSHDSACASA-N 1 0 232.331 2.317 20 30 BEEDRO CCCCCC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160128 583609161 /nfs/dbraw/zinc/60/91/61/583609161.db2.gz KNPGPOQEIDGLEI-NWDGAFQWSA-N 1 0 242.363 2.315 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895203411 583624344 /nfs/dbraw/zinc/62/43/44/583624344.db2.gz OQIVJHCSOGBEGV-ZDUSSCGKSA-N 1 0 243.354 2.453 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnc(F)cc2C)C1 ZINC000895203807 583624403 /nfs/dbraw/zinc/62/44/03/583624403.db2.gz YQLJIGMXLDTDHY-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO CCCC[C@H]1CCCC1=[NH+]n1cnnc1 ZINC000727252215 583624860 /nfs/dbraw/zinc/62/48/60/583624860.db2.gz TZZUOSLVJMXIDS-JTQLQIEISA-N 1 0 206.293 2.473 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000895244305 583631355 /nfs/dbraw/zinc/63/13/55/583631355.db2.gz STRRBWFJZNYAMA-UHFFFAOYSA-N 1 0 221.300 2.375 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC(C)=NO2)C1 ZINC000895300617 583642284 /nfs/dbraw/zinc/64/22/84/583642284.db2.gz OQYAZBDXIPIGTH-UPJWGTAASA-N 1 0 222.332 2.486 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CC(C)=NO1 ZINC000895306275 583643937 /nfs/dbraw/zinc/64/39/37/583643937.db2.gz BVSPRFNNDHWXES-VXGBXAGGSA-N 1 0 210.321 2.486 20 30 BEEDRO C[C@@]1(Br)C[C@@H]1C[NH+]1CC(CC#N)C1 ZINC000895343982 583655068 /nfs/dbraw/zinc/65/50/68/583655068.db2.gz KDYRPTFHOSKISD-NXEZZACHSA-N 1 0 243.148 2.005 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCCC ZINC000895340324 583654682 /nfs/dbraw/zinc/65/46/82/583654682.db2.gz OXXWOZGUIJXTMW-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@]1(Br)C[C@H]1C[NH+]1CC(CC#N)C1 ZINC000895343985 583654993 /nfs/dbraw/zinc/65/49/93/583654993.db2.gz KDYRPTFHOSKISD-UWVGGRQHSA-N 1 0 243.148 2.005 20 30 BEEDRO COC1CCC(C[NH+]2CC(CC#N)C2)CC1 ZINC000895343618 583655173 /nfs/dbraw/zinc/65/51/73/583655173.db2.gz HBBYNXUSTOXTAX-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000895384626 583662768 /nfs/dbraw/zinc/66/27/68/583662768.db2.gz QIMYNFVUXFNMLU-ZIAGYGMSSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000895383700 583663095 /nfs/dbraw/zinc/66/30/95/583663095.db2.gz APJRKYKKSMOTRE-GJZGRUSLSA-N 1 0 247.382 2.439 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)ccnc2N)C1 ZINC000895390530 583664219 /nfs/dbraw/zinc/66/42/19/583664219.db2.gz WBCSHNKNVDCYKS-GFCCVEGCSA-N 1 0 231.343 2.370 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cs1 ZINC000895434328 583672633 /nfs/dbraw/zinc/67/26/33/583672633.db2.gz UVMBANUJFIALDV-QWRGUYRKSA-N 1 0 218.325 2.462 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CC2CSC2)cc1 ZINC000895421775 583673287 /nfs/dbraw/zinc/67/32/87/583673287.db2.gz ZEDRUBUYXBIWKT-UHFFFAOYSA-N 1 0 247.363 2.151 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCCCC=C ZINC000895491156 583680766 /nfs/dbraw/zinc/68/07/66/583680766.db2.gz YMVBYJGDMITAKF-OLZOCXBDSA-N 1 0 209.333 2.095 20 30 BEEDRO N#CC1CCC([NH2+]CCc2ccns2)CC1 ZINC000895529508 583685033 /nfs/dbraw/zinc/68/50/33/583685033.db2.gz NUBKTJMGTZXJNX-UHFFFAOYSA-N 1 0 235.356 2.358 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895524115 583686229 /nfs/dbraw/zinc/68/62/29/583686229.db2.gz JSSJLPBTCHBLCL-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CC2(C1)CCCC2 ZINC000895669992 583706340 /nfs/dbraw/zinc/70/63/40/583706340.db2.gz ALBHISIKYHORIG-LBPRGKRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(CC)c1O ZINC000895713020 583710836 /nfs/dbraw/zinc/71/08/36/583710836.db2.gz HRIYRKJTELYAFU-CQSZACIVSA-N 1 0 249.354 2.371 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CCCc1ccc(C)nc1 ZINC000895714907 583711297 /nfs/dbraw/zinc/71/12/97/583711297.db2.gz KZEPKRHRHFKJOP-HNNXBMFYSA-N 1 0 248.370 2.239 20 30 BEEDRO N#Cc1cc(C[NH2+]CC2CSC2)cs1 ZINC000895721400 583712271 /nfs/dbraw/zinc/71/22/71/583712271.db2.gz XWLAMLLUYCXOSL-UHFFFAOYSA-N 1 0 224.354 2.072 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000895748978 583717351 /nfs/dbraw/zinc/71/73/51/583717351.db2.gz UHAXTFCDVVBILV-CABCVRRESA-N 1 0 232.371 2.172 20 30 BEEDRO CN1CC[C@@H]1CNc1c(Cl)cccc1C#N ZINC000895772008 583725182 /nfs/dbraw/zinc/72/51/82/583725182.db2.gz VWWFHUZNKRBCDV-SNVBAGLBSA-N 1 0 235.718 2.328 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000895778907 583726822 /nfs/dbraw/zinc/72/68/22/583726822.db2.gz IJYUFPSTKRLAMH-GASCZTMLSA-N 1 0 243.375 2.463 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000895785647 583727352 /nfs/dbraw/zinc/72/73/52/583727352.db2.gz ZPSNJOZXUBRYER-PKIAMQTDSA-N 1 0 241.338 2.335 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C(OC)OC ZINC000895789249 583727694 /nfs/dbraw/zinc/72/76/94/583727694.db2.gz IZPHHYLDGYOOCE-GFCCVEGCSA-N 1 0 227.348 2.167 20 30 BEEDRO C#CC[N@H+](CC1CCSCC1)C1CSC1 ZINC000895814170 583734067 /nfs/dbraw/zinc/73/40/67/583734067.db2.gz NXFLQWZZRVNGHB-UHFFFAOYSA-N 1 0 241.425 2.180 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000895833600 583735479 /nfs/dbraw/zinc/73/54/79/583735479.db2.gz AAABJXBWVVNCQH-ZDUSSCGKSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895848836 583736441 /nfs/dbraw/zinc/73/64/41/583736441.db2.gz URGVICIZLKAEQQ-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cnccc1C ZINC000883390068 583788692 /nfs/dbraw/zinc/78/86/92/583788692.db2.gz FBLOUVNUFOATKR-QWHCGFSZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccnc1 ZINC000883390823 583790649 /nfs/dbraw/zinc/79/06/49/583790649.db2.gz VNNOFYNMJBUYCA-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO Cc1ccc(O[C@H]2CC[N@H+](CCCC#N)C2)nc1 ZINC000858035036 588931052 /nfs/dbraw/zinc/93/10/52/588931052.db2.gz HFWIQBNZELRSHM-ZDUSSCGKSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](C)CC1 ZINC000896583328 583815367 /nfs/dbraw/zinc/81/53/67/583815367.db2.gz FFCJLWZOHYXGOC-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](C)CC1 ZINC000896583326 583815761 /nfs/dbraw/zinc/81/57/61/583815761.db2.gz FFCJLWZOHYXGOC-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896583325 583815814 /nfs/dbraw/zinc/81/58/14/583815814.db2.gz FFCJLWZOHYXGOC-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C)nn1 ZINC000858206360 588938501 /nfs/dbraw/zinc/93/85/01/588938501.db2.gz PHFIUHFCTHJYKP-UHFFFAOYSA-N 1 0 219.332 2.477 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896855327 583840205 /nfs/dbraw/zinc/84/02/05/583840205.db2.gz TZAUCBQUGOIVIV-RQJABVFESA-N 1 0 234.343 2.107 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1C[C@H]1C1CC1 ZINC000858158489 588936445 /nfs/dbraw/zinc/93/64/45/588936445.db2.gz IWWZDKVMJVGCFV-ONERCXAPSA-N 1 0 241.338 2.477 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCCCO1 ZINC000896924041 583858376 /nfs/dbraw/zinc/85/83/76/583858376.db2.gz JQMMVDVDNCKXBD-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000897165920 583886801 /nfs/dbraw/zinc/88/68/01/583886801.db2.gz FCOBJZBVQUPAKD-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000897167245 583887095 /nfs/dbraw/zinc/88/70/95/583887095.db2.gz IMOYARXKTAWOLM-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO CC#CC[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000897167942 583887321 /nfs/dbraw/zinc/88/73/21/583887321.db2.gz XGHHUWAWFIYHMH-UHFFFAOYSA-N 1 0 217.312 2.464 20 30 BEEDRO CC#CC[N@@H+](C)C[C@@H]1CCO[C@H](CC)C1 ZINC000897167976 583887537 /nfs/dbraw/zinc/88/75/37/583887537.db2.gz YWBUEEWMOSLQGM-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1nn(CC)nc1C ZINC000858206500 588938398 /nfs/dbraw/zinc/93/83/98/588938398.db2.gz QQROMAYZBMSNMA-UHFFFAOYSA-N 1 0 236.363 2.298 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1C[C@]1(C)Br ZINC000897168875 583888437 /nfs/dbraw/zinc/88/84/37/583888437.db2.gz HUMWAAOWNGLGFN-ZJUUUORDSA-N 1 0 230.149 2.115 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1cncc(O)c1 ZINC000897305632 583912943 /nfs/dbraw/zinc/91/29/43/583912943.db2.gz ZKAWPSGDCHHSDC-JTQLQIEISA-N 1 0 233.315 2.205 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315791 583918488 /nfs/dbraw/zinc/91/84/88/583918488.db2.gz RUMIFTVCEHJYDE-GHMZBOCLSA-N 1 0 220.316 2.478 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000862355636 583961361 /nfs/dbraw/zinc/96/13/61/583961361.db2.gz LQLJYNFRNOJBSK-LBPRGKRZSA-N 1 0 226.364 2.025 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccccc1 ZINC000858332142 588945889 /nfs/dbraw/zinc/94/58/89/588945889.db2.gz OTYGUEQQCBQDIG-CQSZACIVSA-N 1 0 217.312 2.205 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(C)o1 ZINC000858332113 588945933 /nfs/dbraw/zinc/94/59/33/588945933.db2.gz NXZZRESSLMJBJH-LBPRGKRZSA-N 1 0 221.300 2.106 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)cc1 ZINC000858229464 588939371 /nfs/dbraw/zinc/93/93/71/588939371.db2.gz BDGIMUFOJJHIHB-GOEBONIOSA-N 1 0 241.334 2.325 20 30 BEEDRO CCC(=[NH+]OCCOC)c1ccc(N)cc1 ZINC000863100788 583975106 /nfs/dbraw/zinc/97/51/06/583975106.db2.gz ZBISKRMGOYJPQR-UHFFFAOYSA-N 1 0 222.288 2.046 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000858334891 588946604 /nfs/dbraw/zinc/94/66/04/588946604.db2.gz HSMYZQCJLAYYMU-AWEZNQCLSA-N 1 0 247.338 2.132 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334456 588946789 /nfs/dbraw/zinc/94/67/89/588946789.db2.gz NQILRQZODWSFRN-MXAVVETBSA-N 1 0 235.371 2.439 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000858335299 588947003 /nfs/dbraw/zinc/94/70/03/588947003.db2.gz XGKLAABGMCWZQE-XQQFMLRXSA-N 1 0 241.400 2.289 20 30 BEEDRO CCC(CC)NC(=[NH2+])NCC#Cc1ccccc1 ZINC000864456490 584006078 /nfs/dbraw/zinc/00/60/78/584006078.db2.gz HOOHFVKFZNWIOW-UHFFFAOYSA-N 1 0 243.354 2.341 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897528568 584006116 /nfs/dbraw/zinc/00/61/16/584006116.db2.gz LBTONJBBIQEGSD-CHWSQXEVSA-N 1 0 248.370 2.354 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])NC(CC)CC)c1 ZINC000864466221 584008851 /nfs/dbraw/zinc/00/88/51/584008851.db2.gz INPQJFGTSPNKDF-UHFFFAOYSA-N 1 0 243.354 2.470 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897537240 584010314 /nfs/dbraw/zinc/01/03/14/584010314.db2.gz PYSONLLNLWMLGU-RDBSUJKOSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CCCCO1 ZINC000858407526 588951930 /nfs/dbraw/zinc/95/19/30/588951930.db2.gz HVEJMAWJGVYLEV-RISCZKNCSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819090 584050884 /nfs/dbraw/zinc/05/08/84/584050884.db2.gz OFCQKKSCQRPZLG-QKFSQAGISA-N 1 0 207.317 2.107 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CC12CC(O)C2 ZINC000897848124 584054128 /nfs/dbraw/zinc/05/41/28/584054128.db2.gz IIFWJZVJGZDOAL-GMKTYKIGSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CC(CCO)C2)C1 ZINC000898010934 584071712 /nfs/dbraw/zinc/07/17/12/584071712.db2.gz QFBWERLFQBBMIG-AHPWVWPOSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898044793 584073088 /nfs/dbraw/zinc/07/30/88/584073088.db2.gz CHAJUKODSNQCII-WDEREUQCSA-N 1 0 207.321 2.110 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000898034098 584078416 /nfs/dbraw/zinc/07/84/16/584078416.db2.gz HYMKLUFESICYEW-QWHCGFSZSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H](O)C1CC1 ZINC000898204347 584091249 /nfs/dbraw/zinc/09/12/49/584091249.db2.gz SIWUPYNSEPKHCQ-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@@H](O)C1CC1 ZINC000898199864 584098865 /nfs/dbraw/zinc/09/88/65/584098865.db2.gz SOMXHINNAYHLSW-CMPLNLGQSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000898200615 584099326 /nfs/dbraw/zinc/09/93/26/584099326.db2.gz ZGFHZHRWVDAJRO-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO Cc1ncccc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000898253717 584101843 /nfs/dbraw/zinc/10/18/43/584101843.db2.gz STHZMYQUTCSRGM-TZMCWYRMSA-N 1 0 229.327 2.214 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000898381047 584115539 /nfs/dbraw/zinc/11/55/39/584115539.db2.gz XXEJSFBHPMIUQD-HOFDXXJLSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc2c1OCO2 ZINC000898456731 584136715 /nfs/dbraw/zinc/13/67/15/584136715.db2.gz DAEPKTDAKJENBG-UHFFFAOYSA-N 1 0 219.284 2.470 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000898460110 584137268 /nfs/dbraw/zinc/13/72/68/584137268.db2.gz CNKKSPHQOXKSCW-UHFFFAOYSA-N 1 0 242.269 2.298 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000898457628 584137484 /nfs/dbraw/zinc/13/74/84/584137484.db2.gz PTUAJCCJERHNAM-UHFFFAOYSA-N 1 0 230.315 2.023 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1nc(C)ccc1O ZINC000898458047 584137520 /nfs/dbraw/zinc/13/75/20/584137520.db2.gz VYNLOHQEGHANSQ-UHFFFAOYSA-N 1 0 206.289 2.150 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cncc(OC)c1 ZINC000898460691 584138062 /nfs/dbraw/zinc/13/80/62/584138062.db2.gz RLGVEKMCEFZKEQ-UHFFFAOYSA-N 1 0 206.289 2.144 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000898460481 584138270 /nfs/dbraw/zinc/13/82/70/584138270.db2.gz LZGSDVBCEZZIJQ-UHFFFAOYSA-N 1 0 217.316 2.408 20 30 BEEDRO C=CCC1(C(=O)N2CC([NH+]3CCCC3)C2)CCC1 ZINC000898602802 584145244 /nfs/dbraw/zinc/14/52/44/584145244.db2.gz DDGNSWUBQJIFLB-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C1CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000898698569 584155071 /nfs/dbraw/zinc/15/50/71/584155071.db2.gz ODPLVQZYYPSFJI-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO C[C@@H](NC(=[NH2+])NCC(C)(C)CCC#N)C1CC1 ZINC000899271603 584191680 /nfs/dbraw/zinc/19/16/80/584191680.db2.gz HWQGYVAHPCWRFK-SNVBAGLBSA-N 1 0 236.363 2.229 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@H](C)C1CC1)c1ccccc1 ZINC000899272724 584192130 /nfs/dbraw/zinc/19/21/30/584192130.db2.gz NXFWZFNDWNNCBF-RISCZKNCSA-N 1 0 241.338 2.273 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N[C@H](C)C1CC1)c1ccccc1 ZINC000899272722 584192131 /nfs/dbraw/zinc/19/21/31/584192131.db2.gz NXFWZFNDWNNCBF-BXUZGUMPSA-N 1 0 241.338 2.273 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccns1 ZINC000858578042 588968365 /nfs/dbraw/zinc/96/83/65/588968365.db2.gz XCEGCHMCNTYGTF-AEJSXWLSSA-N 1 0 221.329 2.486 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccns1 ZINC000858578111 588968442 /nfs/dbraw/zinc/96/84/42/588968442.db2.gz XCEGCHMCNTYGTF-IVZWLZJFSA-N 1 0 221.329 2.486 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC1CCCCC1 ZINC000899919629 584252597 /nfs/dbraw/zinc/25/25/97/584252597.db2.gz CWQJGQIWFBPTQE-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1ccccc1 ZINC000899911521 584253384 /nfs/dbraw/zinc/25/33/84/584253384.db2.gz SIZTYMISGGZWIK-UHFFFAOYSA-N 1 0 232.327 2.157 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000900005001 584263678 /nfs/dbraw/zinc/26/36/78/584263678.db2.gz VXJCQILPJJZABU-UWVGGRQHSA-N 1 0 223.320 2.147 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009728 584265307 /nfs/dbraw/zinc/26/53/07/584265307.db2.gz JHJVIPMYBUOVGG-UWVGGRQHSA-N 1 0 221.304 2.249 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000900016754 584267000 /nfs/dbraw/zinc/26/70/00/584267000.db2.gz ZTTPDMNKABGMRD-WDEREUQCSA-N 1 0 235.331 2.291 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCCCCC1 ZINC000900052996 584268433 /nfs/dbraw/zinc/26/84/33/584268433.db2.gz UCYWMXIFFWWCCE-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H](C)C1 ZINC000900122073 584275656 /nfs/dbraw/zinc/27/56/56/584275656.db2.gz IIVVLOCZCRBUIN-AAEUAGOBSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC1(C)CCCCC1 ZINC000900324096 584294789 /nfs/dbraw/zinc/29/47/89/584294789.db2.gz XZWCUFLVGXSLRY-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCCCCCCn1cc([C@H](C)[NH2+]C)nn1 ZINC000900642315 584332390 /nfs/dbraw/zinc/33/23/90/584332390.db2.gz GTTVFVBUHNYQTG-LBPRGKRZSA-N 1 0 234.347 2.142 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000900627724 584333392 /nfs/dbraw/zinc/33/33/92/584333392.db2.gz QTQLOOHWHCOBGI-AULYBMBSSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCCCCn1cc([C@@H]([NH3+])CC)nn1 ZINC000900640930 584335120 /nfs/dbraw/zinc/33/51/20/584335120.db2.gz IFSCFCOAMFMDIF-LBPRGKRZSA-N 1 0 234.347 2.272 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C(C)(C)C ZINC000900724046 584344990 /nfs/dbraw/zinc/34/49/90/584344990.db2.gz WZJZJUOQZVPBAT-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000901017904 584377226 /nfs/dbraw/zinc/37/72/26/584377226.db2.gz BPXYWAVEKWDTFD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCNN=C(C)c1ccc(C[NH+](C)C)cc1 ZINC000901281588 584415332 /nfs/dbraw/zinc/41/53/32/584415332.db2.gz UJVPORGUCMBOME-UHFFFAOYSA-N 1 0 219.332 2.082 20 30 BEEDRO CCN[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000901283027 584415888 /nfs/dbraw/zinc/41/58/88/584415888.db2.gz WELRSGJUQDEXNU-SFRKUPBLSA-N 1 0 217.316 2.361 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000901288394 584422422 /nfs/dbraw/zinc/42/24/22/584422422.db2.gz UVDBQLXYRQZCPJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C(=C)CC[NH+](C)C ZINC000901334574 584426146 /nfs/dbraw/zinc/42/61/46/584426146.db2.gz AXNRUGNACUOJGS-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000901587591 584465162 /nfs/dbraw/zinc/46/51/62/584465162.db2.gz UMAZGZFCNQLDHT-KXUCPTDWSA-N 1 0 245.248 2.218 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000901630921 584471181 /nfs/dbraw/zinc/47/11/81/584471181.db2.gz QMULMPBOUFDZKE-UPJWGTAASA-N 1 0 217.316 2.210 20 30 BEEDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902472220 584601140 /nfs/dbraw/zinc/60/11/40/584601140.db2.gz ZCWIACNBOAGVHT-BSLXNSKLSA-N 1 0 241.338 2.102 20 30 BEEDRO CNc1ccc(C)cc1C[NH2+]CCCC#N ZINC000902477807 584603595 /nfs/dbraw/zinc/60/35/95/584603595.db2.gz SIMBKHFYFSRGJJ-UHFFFAOYSA-N 1 0 217.316 2.430 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448152 584605163 /nfs/dbraw/zinc/60/51/63/584605163.db2.gz CZRQPZJNUTXJLS-SMDDNHRTSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1NCC ZINC000902456069 584609411 /nfs/dbraw/zinc/60/94/11/584609411.db2.gz NJVBVJWDSHONTO-ZDUSSCGKSA-N 1 0 248.370 2.393 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)ccc1NC ZINC000902482158 584624291 /nfs/dbraw/zinc/62/42/91/584624291.db2.gz JWVZAWLRTPMKRG-CYBMUJFWSA-N 1 0 234.343 2.063 20 30 BEEDRO CCn1cnc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000902536646 584628018 /nfs/dbraw/zinc/62/80/18/584628018.db2.gz IUVJQEOCCDYFIX-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1NC ZINC000902586301 584639556 /nfs/dbraw/zinc/63/95/56/584639556.db2.gz VKWSVOYWZIVHHA-ZDUSSCGKSA-N 1 0 234.343 2.145 20 30 BEEDRO CC[C@H](CO)[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000902719989 584659194 /nfs/dbraw/zinc/65/91/94/584659194.db2.gz BHGPZYVZVYMZOI-KGLIPLIRSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)O)[C@]1(C)CCCCO1 ZINC000902721002 584659894 /nfs/dbraw/zinc/65/98/94/584659894.db2.gz QNBLOCOUSIJODX-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CO)[C@]1(C)CCCCO1 ZINC000902763166 584663794 /nfs/dbraw/zinc/66/37/94/584663794.db2.gz UTMMWRCDQCDZAA-RDBSUJKOSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000902766355 584666897 /nfs/dbraw/zinc/66/68/97/584666897.db2.gz ITDATDWQTUKHJO-DGCLKSJQSA-N 1 0 245.326 2.173 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902778895 584669673 /nfs/dbraw/zinc/66/96/73/584669673.db2.gz HUVDRQIMGMINJM-WCQYABFASA-N 1 0 247.342 2.011 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902802140 584670672 /nfs/dbraw/zinc/67/06/72/584670672.db2.gz IQOGFYVFMYPQGG-BXUZGUMPSA-N 1 0 247.342 2.011 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902801825 584670695 /nfs/dbraw/zinc/67/06/95/584670695.db2.gz FNHSRYHMELFQQY-SMDDNHRTSA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@H]([NH2+]CC[C@@H](C)O)c1cccc(C#N)c1 ZINC000902804839 584671202 /nfs/dbraw/zinc/67/12/02/584671202.db2.gz WRNMECQGSHJXLH-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@@H]([NH2+]CC[C@H](C)O)c1cccc(C#N)c1 ZINC000902804840 584671206 /nfs/dbraw/zinc/67/12/06/584671206.db2.gz WRNMECQGSHJXLH-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO CSC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902808512 584671794 /nfs/dbraw/zinc/67/17/94/584671794.db2.gz JXNMDQPJTMFOLC-VHSXEESVSA-N 1 0 235.356 2.355 20 30 BEEDRO COC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902819513 584675544 /nfs/dbraw/zinc/67/55/44/584675544.db2.gz VKQQDXVSYXOHPI-FZMZJTMJSA-N 1 0 247.342 2.275 20 30 BEEDRO CSCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902809677 584677330 /nfs/dbraw/zinc/67/73/30/584677330.db2.gz WLWQFVXNKDMDRX-SNVBAGLBSA-N 1 0 235.356 2.357 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CCO)c1cccc(C#N)c1 ZINC000902812500 584677944 /nfs/dbraw/zinc/67/79/44/584677944.db2.gz UIHRHVKLVZCIAZ-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cc(C#N)ccn1 ZINC000902836524 584679202 /nfs/dbraw/zinc/67/92/02/584679202.db2.gz JMRQEFPXLYHTFB-PWSUYJOCSA-N 1 0 247.367 2.499 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902837156 584679224 /nfs/dbraw/zinc/67/92/24/584679224.db2.gz TUMPOLZFTXCTOF-UWVGGRQHSA-N 1 0 201.273 2.178 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](C)CO)[C@]1(C)CCCCO1 ZINC000902843586 584680652 /nfs/dbraw/zinc/68/06/52/584680652.db2.gz UTMMWRCDQCDZAA-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H]([NH2+]CCC1CC1)c1cc(C#N)ccn1 ZINC000902871935 584684052 /nfs/dbraw/zinc/68/40/52/584684052.db2.gz BPYIZIOZLAXXLJ-SNVBAGLBSA-N 1 0 215.300 2.404 20 30 BEEDRO C[C@@H]([NH2+]CC1(C)CC1)c1cc(C#N)ccn1 ZINC000902874537 584684561 /nfs/dbraw/zinc/68/45/61/584684561.db2.gz GMIOGYROJQSMFP-SNVBAGLBSA-N 1 0 215.300 2.404 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000902886323 584688851 /nfs/dbraw/zinc/68/88/51/584688851.db2.gz MOEUEDQRLJNBKK-ZIAGYGMSSA-N 1 0 230.311 2.388 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](C)O)[C@@]1(C)CCCCO1 ZINC000902892913 584691008 /nfs/dbraw/zinc/69/10/08/584691008.db2.gz QNBLOCOUSIJODX-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H]([NH2+]CCCCCCO)c1cc(C#N)ccn1 ZINC000902896937 584691462 /nfs/dbraw/zinc/69/14/62/584691462.db2.gz NLKFXDQSHIQFJR-GFCCVEGCSA-N 1 0 247.342 2.157 20 30 BEEDRO C[C@H]([NH2+]CCOC1CCC1)c1cc(C#N)ccn1 ZINC000902917157 584691947 /nfs/dbraw/zinc/69/19/47/584691947.db2.gz NBNJPMYGPYBFMO-NSHDSACASA-N 1 0 245.326 2.173 20 30 BEEDRO CC(C)OCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902949790 584704301 /nfs/dbraw/zinc/70/43/01/584704301.db2.gz CNGBLCWKKFIRQY-NSHDSACASA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902951975 584704592 /nfs/dbraw/zinc/70/45/92/584704592.db2.gz RTGZBQACMRQPBB-NEPJUHHUSA-N 1 0 245.326 2.030 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903017904 584713753 /nfs/dbraw/zinc/71/37/53/584713753.db2.gz TWGMGCUTGNUSCZ-ODXJTPSBSA-N 1 0 248.370 2.329 20 30 BEEDRO C[C@H](F)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903001237 584715702 /nfs/dbraw/zinc/71/57/02/584715702.db2.gz RHKHJHPWKICYLI-UWVGGRQHSA-N 1 0 221.279 2.352 20 30 BEEDRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)OC ZINC000903002368 584716008 /nfs/dbraw/zinc/71/60/08/584716008.db2.gz AEDAIOFMENDCJH-AAEUAGOBSA-N 1 0 247.342 2.419 20 30 BEEDRO CO[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903001866 584716486 /nfs/dbraw/zinc/71/64/86/584716486.db2.gz YTJFWIQUISAFBX-IINYFYTJSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@H](CCO)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903003465 584716603 /nfs/dbraw/zinc/71/66/03/584716603.db2.gz UYBJVEVNECSCLZ-RYUDHWBXSA-N 1 0 247.342 2.012 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903011405 584717232 /nfs/dbraw/zinc/71/72/32/584717232.db2.gz DYYSSARYUDEFRV-JHJVBQTASA-N 1 0 223.360 2.482 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903008796 584717524 /nfs/dbraw/zinc/71/75/24/584717524.db2.gz UXYDLHHQADTZSH-MPKXVKKWSA-N 1 0 245.326 2.171 20 30 BEEDRO COCCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031210 584718033 /nfs/dbraw/zinc/71/80/33/584718033.db2.gz JPKXLGZZOHYYGM-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[N@@H+]1CC[C@H](NCC2(C#N)CCC2)[C@@H]2CCC[C@@H]21 ZINC000903035669 584719430 /nfs/dbraw/zinc/71/94/30/584719430.db2.gz SHJLDOUYLTWMIZ-IHRRRGAJSA-N 1 0 247.386 2.143 20 30 BEEDRO C[N@@H+]1CC[C@H](NCC2(C#N)CCC2)[C@@H]2CCC[C@H]21 ZINC000903035670 584719719 /nfs/dbraw/zinc/71/97/19/584719719.db2.gz SHJLDOUYLTWMIZ-MELADBBJSA-N 1 0 247.386 2.143 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903047946 584723474 /nfs/dbraw/zinc/72/34/74/584723474.db2.gz GQUHJXFBVRVAGI-JTQLQIEISA-N 1 0 201.273 2.180 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000903106386 584728697 /nfs/dbraw/zinc/72/86/97/584728697.db2.gz OWLCMBFWRLBNAF-UHFFFAOYSA-N 1 0 217.316 2.352 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCO1 ZINC000903108385 584728848 /nfs/dbraw/zinc/72/88/48/584728848.db2.gz BJUPQTDKVVCTAS-QWHCGFSZSA-N 1 0 234.343 2.394 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903094658 584729322 /nfs/dbraw/zinc/72/93/22/584729322.db2.gz OYLFNJWWTVZTNT-YRGRVCCFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903175869 584733144 /nfs/dbraw/zinc/73/31/44/584733144.db2.gz WRBHLXBVQVZJGQ-OCCSQVGLSA-N 1 0 239.359 2.126 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCOC12CCCC2 ZINC000903219969 584737794 /nfs/dbraw/zinc/73/77/94/584737794.db2.gz KIXMOMMQXDCFET-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903219841 584737839 /nfs/dbraw/zinc/73/78/39/584737839.db2.gz KAZWVWDOBJUHMJ-VOAKCMCISA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC000903287172 584745773 /nfs/dbraw/zinc/74/57/73/584745773.db2.gz BECMGLJDJZQLHS-QLKXBERHSA-N 1 0 233.355 2.497 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(C#N)cc1F ZINC000903316734 584750100 /nfs/dbraw/zinc/75/01/00/584750100.db2.gz GRQZWDXRDZBJJM-CMPLNLGQSA-N 1 0 247.317 2.052 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000903330076 584753920 /nfs/dbraw/zinc/75/39/20/584753920.db2.gz HLHRZFHMZXENLJ-SDDRHHMPSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1cccc(C#N)c1 ZINC000903328993 584754143 /nfs/dbraw/zinc/75/41/43/584754143.db2.gz IAVOLBCMDQAVRT-XIKARTHZSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2COC[C@@H]2C)C1 ZINC000903392947 584756057 /nfs/dbraw/zinc/75/60/57/584756057.db2.gz BYONCAGDTFANOD-RNJOBUHISA-N 1 0 209.333 2.356 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2C)C1 ZINC000903392944 584756274 /nfs/dbraw/zinc/75/62/74/584756274.db2.gz BYONCAGDTFANOD-FVCCEPFGSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)cc(C#N)c1 ZINC000903421988 584763732 /nfs/dbraw/zinc/76/37/32/584763732.db2.gz SFFYPGCZDWPABQ-SNVBAGLBSA-N 1 0 249.745 2.005 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCCC[C@H]2CN)CC1 ZINC000903422279 584764542 /nfs/dbraw/zinc/76/45/42/584764542.db2.gz WRJXUBSYDDUGAW-RUXDESIVSA-N 1 0 235.375 2.130 20 30 BEEDRO C[C@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[NH2+]1 ZINC000903423436 584764743 /nfs/dbraw/zinc/76/47/43/584764743.db2.gz VGHFQEKWVDDAHO-JTQLQIEISA-N 1 0 249.745 2.005 20 30 BEEDRO CCCN(CC1CCC(C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000903423047 584764745 /nfs/dbraw/zinc/76/47/45/584764745.db2.gz OLDYSUGYVBJXNM-YMAMQOFZSA-N 1 0 249.402 2.390 20 30 BEEDRO CC1(C)CNCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903424894 584765485 /nfs/dbraw/zinc/76/54/85/584765485.db2.gz KRAVESCQNFFHEV-UHFFFAOYSA-N 1 0 235.375 2.000 20 30 BEEDRO CC(C)[C@@H]1CNCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903464123 584767103 /nfs/dbraw/zinc/76/71/03/584767103.db2.gz AQRXUFCQWDBLPM-NRXISQOPSA-N 1 0 249.402 2.246 20 30 BEEDRO N#CC1CCC(C[N@H+]2C[C@H]3CCC[C@@H](C2)N3)CC1 ZINC000903454013 584773006 /nfs/dbraw/zinc/77/30/06/584773006.db2.gz RHCRWZAADJWODC-ZMYVRHLSSA-N 1 0 247.386 2.143 20 30 BEEDRO C[NH2+][C@H]1CCN(CCCCC2(C#N)CCC2)C1 ZINC000903713543 584793513 /nfs/dbraw/zinc/79/35/13/584793513.db2.gz VBCNLAYUYLIUPW-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C[C@@H]([NH3+])C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000903774976 584799227 /nfs/dbraw/zinc/79/92/27/584799227.db2.gz DHTNQEDZDXKZDT-GFCCVEGCSA-N 1 0 223.364 2.130 20 30 BEEDRO C[C@@H]1C[C@@H]([NH3+])CN1CCCCC1(C#N)CCC1 ZINC000903779455 584799651 /nfs/dbraw/zinc/79/96/51/584799651.db2.gz ZXORAFZQQXTEFK-CHWSQXEVSA-N 1 0 235.375 2.272 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@@H](N)CC(F)F ZINC000903933875 584824810 /nfs/dbraw/zinc/82/48/10/584824810.db2.gz XLUWQFPTENNXCS-VIFPVBQESA-N 1 0 220.307 2.303 20 30 BEEDRO N#CC1(CNC[C@H]([NH3+])CC(F)F)CCCCC1 ZINC000903932776 584825097 /nfs/dbraw/zinc/82/50/97/584825097.db2.gz GULSPWCZGKFWSC-SNVBAGLBSA-N 1 0 245.317 2.033 20 30 BEEDRO C=C(C)CCc1noc(C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000904069487 584840914 /nfs/dbraw/zinc/84/09/14/584840914.db2.gz MFDZWPRBZSFSKQ-NSHDSACASA-N 1 0 235.331 2.073 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904121679 584842392 /nfs/dbraw/zinc/84/23/92/584842392.db2.gz SWEHODUQPRQGLB-VWYCJHECSA-N 1 0 247.342 2.246 20 30 BEEDRO C[C@]1(CNCC2(C#N)CCCCC2)CCC[NH2+]C1 ZINC000904379402 584876762 /nfs/dbraw/zinc/87/67/62/584876762.db2.gz UHCAOVVMKFWVGK-AWEZNQCLSA-N 1 0 249.402 2.440 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000877051687 584889044 /nfs/dbraw/zinc/88/90/44/584889044.db2.gz MBBCJUOJITUYEF-BZNIZROVSA-N 1 0 244.404 2.063 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CCC[C@H]1O ZINC000877071122 584889678 /nfs/dbraw/zinc/88/96/78/584889678.db2.gz FABGESZNQHSCTR-UONOGXRCSA-N 1 0 223.360 2.321 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1C[C@@H]1C ZINC000840746403 584904557 /nfs/dbraw/zinc/90/45/57/584904557.db2.gz CYBDRZGAAIMVIU-GDLCADMTSA-N 1 0 229.327 2.477 20 30 BEEDRO COc1cccc(NNC=C2CC2(F)F)[nH+]1 ZINC000834973886 584916200 /nfs/dbraw/zinc/91/62/00/584916200.db2.gz PJINCPTXJDYECJ-SSDOTTSWSA-N 1 0 227.214 2.143 20 30 BEEDRO C=C(C)CN[NH+]=C1CCc2cc(N)ccc21 ZINC000834979298 584916616 /nfs/dbraw/zinc/91/66/16/584916616.db2.gz GXHJJDBVGSCSOI-UHFFFAOYSA-N 1 0 215.300 2.085 20 30 BEEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NOC(C)C ZINC000835001650 584917034 /nfs/dbraw/zinc/91/70/34/584917034.db2.gz IGBOCPJXROJTSV-UHFFFAOYSA-N 1 0 244.298 2.335 20 30 BEEDRO C=CCON=C(C)c1ccc2c(c1)CC[NH2+]CC2 ZINC000835014085 584918706 /nfs/dbraw/zinc/91/87/06/584918706.db2.gz ALTPDOKXINYDCS-UHFFFAOYSA-N 1 0 244.338 2.301 20 30 BEEDRO C=C(Cl)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000730893567 584919710 /nfs/dbraw/zinc/91/97/10/584919710.db2.gz XLFVILCOANSZQN-LBPRGKRZSA-N 1 0 228.767 2.299 20 30 BEEDRO CC(=[NH+]OC[C@@H]1CCOC1)c1ccc(N)cc1C ZINC000788030149 584919988 /nfs/dbraw/zinc/91/99/88/584919988.db2.gz KJTFWWXNOOIHHP-GFCCVEGCSA-N 1 0 248.326 2.354 20 30 BEEDRO C=C1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000731103793 584922250 /nfs/dbraw/zinc/92/22/50/584922250.db2.gz ILHUCYPGXSGEMF-UHFFFAOYSA-N 1 0 209.333 2.334 20 30 BEEDRO CC(CCC1CCCCC1)N=NC(N)=[NH2+] ZINC000731922918 584931419 /nfs/dbraw/zinc/93/14/19/584931419.db2.gz OUYIIEZKSQRLOJ-UHFFFAOYSA-N 1 0 210.325 2.206 20 30 BEEDRO CC#CCCOC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000765478590 584937686 /nfs/dbraw/zinc/93/76/86/584937686.db2.gz FGYTYNBKWWJVDH-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000734161037 584959258 /nfs/dbraw/zinc/95/92/58/584959258.db2.gz LDEKNEGBANNKMK-HNNXBMFYSA-N 1 0 247.338 2.112 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817578893 584987248 /nfs/dbraw/zinc/98/72/48/584987248.db2.gz PTYQAZKLCKVXQU-CQSZACIVSA-N 1 0 228.339 2.332 20 30 BEEDRO Cc1ccc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)nc1 ZINC000755889549 584996298 /nfs/dbraw/zinc/99/62/98/584996298.db2.gz MHCITCZHJUPECV-NSHDSACASA-N 1 0 244.342 2.272 20 30 BEEDRO CC(=[NH+]NC[C@@H](C)C#N)c1ccc(N(C)C)cc1 ZINC000771109088 585000106 /nfs/dbraw/zinc/00/01/06/585000106.db2.gz XBWGACKBRDXUCX-NSHDSACASA-N 1 0 244.342 2.226 20 30 BEEDRO CCC(=[NH+]NCCOC(C)C)c1cccc(N)c1 ZINC000814896892 585016061 /nfs/dbraw/zinc/01/60/61/585016061.db2.gz KGRRUIDSVBUNKK-UHFFFAOYSA-N 1 0 249.358 2.398 20 30 BEEDRO c1nncn1[NH+]=C1CCC[C@H](C2CC2)C1 ZINC000737414098 585031914 /nfs/dbraw/zinc/03/19/14/585031914.db2.gz QQWNVWKTQOGQNK-JTQLQIEISA-N 1 0 204.277 2.082 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)C1CC1 ZINC000838786359 585070090 /nfs/dbraw/zinc/07/00/90/585070090.db2.gz FDKTVZZAJWVMTI-HNNXBMFYSA-N 1 0 231.339 2.446 20 30 BEEDRO CCCCCCC[NH2+]Cc1cnn(CC)n1 ZINC000838894063 585078948 /nfs/dbraw/zinc/07/89/48/585078948.db2.gz GJPUUNVJUFNXPK-UHFFFAOYSA-N 1 0 224.352 2.358 20 30 BEEDRO CCCCCCC[N@@H+]1CCCN(C=O)CC1 ZINC000839018656 585087588 /nfs/dbraw/zinc/08/75/88/585087588.db2.gz LGFJXXYPCNGIDR-UHFFFAOYSA-N 1 0 226.364 2.121 20 30 BEEDRO C#C[C@H]([NH2+]CC(C)(C)CC(=O)OCC)C(C)C ZINC000839088609 585090409 /nfs/dbraw/zinc/09/04/09/585090409.db2.gz TWPQXDNMUVDBNO-LBPRGKRZSA-N 1 0 239.359 2.213 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC(C)(C)CC#N ZINC000839162887 585098031 /nfs/dbraw/zinc/09/80/31/585098031.db2.gz DCONUGUAJBRQNB-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CC(C)(C)CC#N ZINC000839162900 585098179 /nfs/dbraw/zinc/09/81/79/585098179.db2.gz DCONUGUAJBRQNB-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C)C(=[NH+]n2cnnc2)C1 ZINC000839381432 585101999 /nfs/dbraw/zinc/10/19/99/585101999.db2.gz JMJJKZBTHVJNAS-LLVKDONJSA-N 1 0 216.288 2.415 20 30 BEEDRO CCN(CCC(=O)C(C)(C)C)C[C@H](C)C#N ZINC000741157506 585110647 /nfs/dbraw/zinc/11/06/47/585110647.db2.gz WAWRTUYFWBDKHH-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@@H+](CCOC[C@@H]1CCCO1)C(C)C ZINC000741244607 585111835 /nfs/dbraw/zinc/11/18/35/585111835.db2.gz ILMXOGSSKWBOCT-ZDUSSCGKSA-N 1 0 227.348 2.078 20 30 BEEDRO CC[N@@H+]1CCC(N=Nc2ccccn2)[C@@H](C)C1 ZINC000741454657 585114181 /nfs/dbraw/zinc/11/41/81/585114181.db2.gz DRUOUKIBDLWGSH-NSHDSACASA-N 1 0 232.331 2.211 20 30 BEEDRO CCC(CC)N=NC1CC[N@H+](C)[C@H](C)C1 ZINC000741461288 585114384 /nfs/dbraw/zinc/11/43/84/585114384.db2.gz UIWIXVPWXVDHKJ-SNVBAGLBSA-N 1 0 211.353 2.235 20 30 BEEDRO Cc1ccc(CC(=[NH+]n2cnnc2)C2CC2)cc1 ZINC000741836198 585120052 /nfs/dbraw/zinc/12/00/52/585120052.db2.gz CPLBBAPPLOWRII-UHFFFAOYSA-N 1 0 240.310 2.443 20 30 BEEDRO CCc1cc(C[NH2+]CC(C)(C)CCC#N)[nH]n1 ZINC000742371425 585125182 /nfs/dbraw/zinc/12/51/82/585125182.db2.gz WGAWJUPUJPUIDM-UHFFFAOYSA-N 1 0 234.347 2.392 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000886364109 585134492 /nfs/dbraw/zinc/13/44/92/585134492.db2.gz OUYPFZAYUIXPLK-GFCCVEGCSA-N 1 0 211.374 2.473 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000886365492 585134746 /nfs/dbraw/zinc/13/47/46/585134746.db2.gz JRQXFMIRTBZUKA-KBPBESRZSA-N 1 0 233.355 2.291 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000886365494 585134928 /nfs/dbraw/zinc/13/49/28/585134928.db2.gz JRQXFMIRTBZUKA-UONOGXRCSA-N 1 0 233.355 2.291 20 30 BEEDRO C#CCN(CC#CC)C[C@@H]1CC1(Cl)Cl ZINC000743852240 585140765 /nfs/dbraw/zinc/14/07/65/585140765.db2.gz GWUCQDIQUDXSKY-JTQLQIEISA-N 1 0 230.138 2.139 20 30 BEEDRO C#CCN(CC#CC)C[C@H]1CC1(Cl)Cl ZINC000743852241 585140989 /nfs/dbraw/zinc/14/09/89/585140989.db2.gz GWUCQDIQUDXSKY-SNVBAGLBSA-N 1 0 230.138 2.139 20 30 BEEDRO C#CC[N@H+](CC)CCCOc1ccccc1 ZINC000746457414 585168478 /nfs/dbraw/zinc/16/84/78/585168478.db2.gz CQIRFESJBLMELO-UHFFFAOYSA-N 1 0 217.312 2.411 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000886662544 585172498 /nfs/dbraw/zinc/17/24/98/585172498.db2.gz GJMMPRMYZWXXJH-XHSDSOJGSA-N 1 0 246.398 2.252 20 30 BEEDRO C=CCCCC(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000748541996 585193717 /nfs/dbraw/zinc/19/37/17/585193717.db2.gz NVGAVRWMNSCZTM-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)c2ccco2)s1 ZINC000749109425 585199416 /nfs/dbraw/zinc/19/94/16/585199416.db2.gz OSULFVIBOYSFQM-LLVKDONJSA-N 1 0 248.307 2.036 20 30 BEEDRO CC[C@@H](Cc1ccccc1)[N@H+](C)C[C@H](O)CC#N ZINC000809575001 585217718 /nfs/dbraw/zinc/21/77/18/585217718.db2.gz VCKASLIGXBQPSY-LSDHHAIUSA-N 1 0 246.354 2.214 20 30 BEEDRO CON=C1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000751526476 585231555 /nfs/dbraw/zinc/23/15/55/585231555.db2.gz KPTJKFXFBWERSI-NSHDSACASA-N 1 0 218.300 2.141 20 30 BEEDRO C#CC[NH+](CC#C)CCc1ccc(CC)cc1 ZINC000752076719 585241520 /nfs/dbraw/zinc/24/15/20/585241520.db2.gz PLJXJNHZSIMQJX-UHFFFAOYSA-N 1 0 225.335 2.360 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cccc(F)c1 ZINC000752163873 585243290 /nfs/dbraw/zinc/24/32/90/585243290.db2.gz FNACHLYUNOLLCI-VIFPVBQESA-N 1 0 221.279 2.175 20 30 BEEDRO CC[C@H](C)N[NH+]=Cc1ccc2c(c1)CCN2C ZINC000790182084 585258001 /nfs/dbraw/zinc/25/80/01/585258001.db2.gz ILAKWFSQHDLUOL-NSHDSACASA-N 1 0 231.343 2.401 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCCC[C@@H]1C ZINC000753545787 585261203 /nfs/dbraw/zinc/26/12/03/585261203.db2.gz GWVOHYNLNGYTLC-UONOGXRCSA-N 1 0 203.329 2.381 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000753772007 585268679 /nfs/dbraw/zinc/26/86/79/585268679.db2.gz WSCQGUGMYGBPDK-GFCCVEGCSA-N 1 0 235.302 2.435 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(F)cn2)C[N@@H+]1C1CC1 ZINC000753960776 585273710 /nfs/dbraw/zinc/27/37/10/585273710.db2.gz VMAHNBACHOHWSM-SECBINFHSA-N 1 0 248.305 2.245 20 30 BEEDRO C#CCC[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000754184165 585279939 /nfs/dbraw/zinc/27/99/39/585279939.db2.gz AWZMONWIXFTVJW-CYBMUJFWSA-N 1 0 242.326 2.039 20 30 BEEDRO CC(C)[N@H+]1CC(=NNC2CCCC2)[C@H](C)C1 ZINC000754260075 585281611 /nfs/dbraw/zinc/28/16/11/585281611.db2.gz SIEGCZVBKWGJGL-LLVKDONJSA-N 1 0 223.364 2.235 20 30 BEEDRO CC(C)CON=C(N)c1ccc(C[NH+](C)C)cc1 ZINC000754292575 585282123 /nfs/dbraw/zinc/28/21/23/585282123.db2.gz HFDQOLSFYAJJTN-UHFFFAOYSA-N 1 0 249.358 2.041 20 30 BEEDRO CC(C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000755617152 585302252 /nfs/dbraw/zinc/30/22/52/585302252.db2.gz HDJKVDXXBYCKAM-UHFFFAOYSA-N 1 0 214.272 2.435 20 30 BEEDRO Cc1[nH]cnc1C=NN[C@@H](C)c1ccccc1 ZINC000755665276 585303793 /nfs/dbraw/zinc/30/37/93/585303793.db2.gz UJNAKFMURKJMMY-JTQLQIEISA-N 1 0 228.299 2.403 20 30 BEEDRO C=CCN(Cc1nccc(C)n1)C(C)C ZINC000756487882 585320327 /nfs/dbraw/zinc/32/03/27/585320327.db2.gz OYMZFWUIWAJOCA-UHFFFAOYSA-N 1 0 205.305 2.181 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C=C(CC)CC ZINC000756552590 585320970 /nfs/dbraw/zinc/32/09/70/585320970.db2.gz RDDDCLXSRKZTFR-CQSZACIVSA-N 1 0 249.354 2.374 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C(/C)CCC ZINC000756552866 585321018 /nfs/dbraw/zinc/32/10/18/585321018.db2.gz LNGDAELKWHHEAH-YBEMTRGBSA-N 1 0 249.354 2.374 20 30 BEEDRO C#CC[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000756997862 585326199 /nfs/dbraw/zinc/32/61/99/585326199.db2.gz OYQMDLFDDZJRJC-AWEZNQCLSA-N 1 0 225.295 2.264 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@H](CCO)c1cccs1 ZINC000839552259 585329800 /nfs/dbraw/zinc/32/98/00/585329800.db2.gz QCFYPGCGVINCSR-WDEREUQCSA-N 1 0 238.356 2.453 20 30 BEEDRO C#CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000839540197 585329885 /nfs/dbraw/zinc/32/98/85/585329885.db2.gz HWMBMJYPKIQRQR-TZMCWYRMSA-N 1 0 217.312 2.112 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H](O)c1ccccc1 ZINC000839613583 585332194 /nfs/dbraw/zinc/33/21/94/585332194.db2.gz INRAUHMZSDKYAT-ILXRZTDVSA-N 1 0 247.338 2.043 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000839609903 585333085 /nfs/dbraw/zinc/33/30/85/585333085.db2.gz TYTABEASXBQSLF-JTQLQIEISA-N 1 0 217.740 2.126 20 30 BEEDRO CON=C1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757585629 585342544 /nfs/dbraw/zinc/34/25/44/585342544.db2.gz GQRJLQXYFLSCKF-LLVKDONJSA-N 1 0 218.300 2.283 20 30 BEEDRO CCC(CC)NN=C1CCC[N@H+](C)CC1 ZINC000758110898 585349327 /nfs/dbraw/zinc/34/93/27/585349327.db2.gz RNQSYDVCMAUWAK-UHFFFAOYSA-N 1 0 211.353 2.236 20 30 BEEDRO CC(=[NH+]NC[C@H](C)C#N)c1ccc(N)cc1C ZINC000758116245 585349363 /nfs/dbraw/zinc/34/93/63/585349363.db2.gz DSHGQBCENDZKGZ-SECBINFHSA-N 1 0 230.315 2.051 20 30 BEEDRO CCO[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758373898 585355358 /nfs/dbraw/zinc/35/53/58/585355358.db2.gz LMQMQOQCLXWSOA-UHFFFAOYSA-N 1 0 219.288 2.052 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](CC)CCc1ccccn1 ZINC000760820077 585398034 /nfs/dbraw/zinc/39/80/34/585398034.db2.gz ZORFQZOJYJHUAK-OAHLLOKOSA-N 1 0 248.370 2.273 20 30 BEEDRO C#CCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000760835123 585398963 /nfs/dbraw/zinc/39/89/63/585398963.db2.gz WLPLGKMRAYSFCA-UHFFFAOYSA-N 1 0 216.328 2.078 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000760842751 585399452 /nfs/dbraw/zinc/39/94/52/585399452.db2.gz AKGVXLQUAJCAHC-RYUDHWBXSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CCCCCCCNC(=O)[C@H](C)[NH+](C)C ZINC000805220387 585411432 /nfs/dbraw/zinc/41/14/32/585411432.db2.gz OSKLZVQGWPZXLB-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@@H]1CC(N=Nc2c(F)cccc2F)C[N@@H+]1C ZINC000761812755 585418570 /nfs/dbraw/zinc/41/85/70/585418570.db2.gz OLVHSENCNMOBJQ-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(Cl)nc2)C[N@@H+]1C ZINC000761812777 585419182 /nfs/dbraw/zinc/41/91/82/585419182.db2.gz ORZLQAZBPMDYEH-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C=CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC000762192165 585428904 /nfs/dbraw/zinc/42/89/04/585428904.db2.gz UUJHRDJFCSIHJD-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000762924367 585439666 /nfs/dbraw/zinc/43/96/66/585439666.db2.gz CEVKGPKXVIEIQM-LBPRGKRZSA-N 1 0 241.379 2.090 20 30 BEEDRO Cn1ccc(C[NH2+]CC#Cc2ccccc2)c1 ZINC000763476486 585448644 /nfs/dbraw/zinc/44/86/44/585448644.db2.gz DTVDTBQINBZZHO-UHFFFAOYSA-N 1 0 224.307 2.166 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1C ZINC000763896204 585456470 /nfs/dbraw/zinc/45/64/70/585456470.db2.gz PGXUSKIPPNIIID-UHFFFAOYSA-N 1 0 218.300 2.051 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000763899712 585456603 /nfs/dbraw/zinc/45/66/03/585456603.db2.gz FAGJTEWHYGXBTL-UHFFFAOYSA-N 1 0 238.718 2.396 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)cc(C)c1 ZINC000763901091 585456609 /nfs/dbraw/zinc/45/66/09/585456609.db2.gz QWKUKSYGLLDMQB-UHFFFAOYSA-N 1 0 232.327 2.360 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1CCCCCCC1 ZINC000763899728 585456680 /nfs/dbraw/zinc/45/66/80/585456680.db2.gz HOKSWZYVUUFPDQ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(CC)c1 ZINC000763921821 585457189 /nfs/dbraw/zinc/45/71/89/585457189.db2.gz XEQSGLRDYVVVMN-UHFFFAOYSA-N 1 0 232.327 2.305 20 30 BEEDRO C#CC[N@H+](CCc1cccs1)C1CC1 ZINC000763951638 585457774 /nfs/dbraw/zinc/45/77/74/585457774.db2.gz ZMMIOLRYFZNHPP-UHFFFAOYSA-N 1 0 205.326 2.388 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)cc1F ZINC000763993099 585458489 /nfs/dbraw/zinc/45/84/89/585458489.db2.gz JUXCLEKPTTZCHK-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N([C@@H](C)C(C)C)C1CC1 ZINC000764439308 585465665 /nfs/dbraw/zinc/46/56/65/585465665.db2.gz UYAJNZLETXVIAY-LBPRGKRZSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC(C)C)CC(C)C ZINC000764504304 585467014 /nfs/dbraw/zinc/46/70/14/585467014.db2.gz AVIWWEXXVWFXEU-UHFFFAOYSA-N 1 0 240.391 2.245 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(OCC)c1O)C1CC1 ZINC000764676597 585470750 /nfs/dbraw/zinc/47/07/50/585470750.db2.gz LPJMWHWHKCLYPU-UHFFFAOYSA-N 1 0 245.322 2.389 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOCC(F)(F)F ZINC000764845348 585475616 /nfs/dbraw/zinc/47/56/16/585475616.db2.gz UYUHCZWGKMWTNQ-SSDOTTSWSA-N 1 0 236.237 2.035 20 30 BEEDRO CC(CCc1ccsc1)=[NH+]n1cnnc1 ZINC000764892635 585477450 /nfs/dbraw/zinc/47/74/50/585477450.db2.gz XPBJHOUGLQTLAJ-UHFFFAOYSA-N 1 0 220.301 2.196 20 30 BEEDRO C=C(Cl)CN1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000766250676 585500057 /nfs/dbraw/zinc/50/00/57/585500057.db2.gz AJTUJJYGJUOZKF-QWRGUYRKSA-N 1 0 216.756 2.153 20 30 BEEDRO C#CCCCOC(=O)[C@@H](CC)[NH+](CC)CC ZINC000766900927 585510435 /nfs/dbraw/zinc/51/04/35/585510435.db2.gz OPVRWEOPVMOKAK-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCCC[N@@H+](C)C1CC[NH+](CCC)CC1 ZINC000766904446 585510561 /nfs/dbraw/zinc/51/05/61/585510561.db2.gz ZYIVHSOMXWTSCL-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000766902638 585510979 /nfs/dbraw/zinc/51/09/79/585510979.db2.gz MATQZAZWTWPVFH-CQSZACIVSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CCCC[N@@H+](CC(=O)OCC)C(C)(C)C ZINC000766906387 585511189 /nfs/dbraw/zinc/51/11/89/585511189.db2.gz KSVYYFAEUXOFII-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCCC[N@@H+](CC)CCc1ccccn1 ZINC000766915145 585511543 /nfs/dbraw/zinc/51/15/43/585511543.db2.gz ZORPUJNZZQUWJB-UHFFFAOYSA-N 1 0 216.328 2.359 20 30 BEEDRO C#CCCC[N@@H+](C(C)C)C1CCOCC1 ZINC000766922814 585511977 /nfs/dbraw/zinc/51/19/77/585511977.db2.gz YIPLLIMHBCQOHE-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000766934778 585512085 /nfs/dbraw/zinc/51/20/85/585512085.db2.gz ICCBUVKULBZMAD-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCC(C)(C)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000767100592 585514313 /nfs/dbraw/zinc/51/43/13/585514313.db2.gz UWYJIIWLIUJHJC-UHFFFAOYSA-N 1 0 245.326 2.136 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)C(C)(C)OC ZINC000300747357 585522798 /nfs/dbraw/zinc/52/27/98/585522798.db2.gz DKSJPYBUUHITBV-MRVPVSSYSA-N 1 0 236.153 2.298 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@H]1CC=CCC1 ZINC000769449106 585557246 /nfs/dbraw/zinc/55/72/46/585557246.db2.gz XYHHRYAIFHSKDB-AWEZNQCLSA-N 1 0 201.313 2.301 20 30 BEEDRO CC(=[NH+]NC[C@@H](C)C#N)c1ccccc1N(C)C ZINC000769585259 585559931 /nfs/dbraw/zinc/55/99/31/585559931.db2.gz MYRHHQOINXBWPJ-NSHDSACASA-N 1 0 244.342 2.226 20 30 BEEDRO CN1CCN(N=C2CC[C@@H]2c2ccccc2)CC1 ZINC000769764450 585562944 /nfs/dbraw/zinc/56/29/44/585562944.db2.gz AKUGHZMLIGPRJJ-CQSZACIVSA-N 1 0 243.354 2.167 20 30 BEEDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000769945696 585566773 /nfs/dbraw/zinc/56/67/73/585566773.db2.gz SCPMFQXORSBNLI-DGCLKSJQSA-N 1 0 230.311 2.483 20 30 BEEDRO C=CC[C@@H]1[N@@H+](CC2OCCO2)CCCC1(C)C ZINC000769953412 585567193 /nfs/dbraw/zinc/56/71/93/585567193.db2.gz LWQZZSSGDKXORU-LBPRGKRZSA-N 1 0 239.359 2.426 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000769954079 585567312 /nfs/dbraw/zinc/56/73/12/585567312.db2.gz RGOQIFFEVBLILW-LLVKDONJSA-N 1 0 215.296 2.170 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000769976161 585567962 /nfs/dbraw/zinc/56/79/62/585567962.db2.gz SZCHHJKKIRTQOD-LBPRGKRZSA-N 1 0 216.328 2.206 20 30 BEEDRO C=CCCC(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000770727447 585580542 /nfs/dbraw/zinc/58/05/42/585580542.db2.gz GMUTXEKOJRHTDQ-CYBMUJFWSA-N 1 0 237.343 2.230 20 30 BEEDRO C=CCCCC(=O)OCC[NH+](CC)CC ZINC000772170196 585609561 /nfs/dbraw/zinc/60/95/61/585609561.db2.gz OJQLGYSJWJPMHV-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030908 585629655 /nfs/dbraw/zinc/62/96/55/585629655.db2.gz YIJIOQJJEANBHD-UWVGGRQHSA-N 1 0 236.290 2.210 20 30 BEEDRO C=C(CC)CON=C(N)C[NH+]1CCCCCC1 ZINC000773178255 585633266 /nfs/dbraw/zinc/63/32/66/585633266.db2.gz WYGFLPMVDQKWBQ-UHFFFAOYSA-N 1 0 239.363 2.327 20 30 BEEDRO CC(Cc1ccc(Cl)cc1)=[NH+]n1cnnc1 ZINC000773179532 585633361 /nfs/dbraw/zinc/63/33/61/585633361.db2.gz BQTJJPOAJCUQFH-UHFFFAOYSA-N 1 0 234.690 2.398 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000774087829 585650228 /nfs/dbraw/zinc/65/02/28/585650228.db2.gz CGGAGKWXOHYXIA-GFCCVEGCSA-N 1 0 246.354 2.024 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C#N)cc1 ZINC000774167248 585652504 /nfs/dbraw/zinc/65/25/04/585652504.db2.gz VYRHIBWTUJGSLB-HUUCEWRRSA-N 1 0 243.354 2.303 20 30 BEEDRO CC1(O)CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000774213104 585653981 /nfs/dbraw/zinc/65/39/81/585653981.db2.gz KYFOHGOOTFDNTD-AHPWVWPOSA-N 1 0 236.359 2.352 20 30 BEEDRO CC1(O)CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000774213108 585654067 /nfs/dbraw/zinc/65/40/67/585654067.db2.gz KYFOHGOOTFDNTD-NELGMTEASA-N 1 0 236.359 2.352 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000774268746 585655334 /nfs/dbraw/zinc/65/53/34/585655334.db2.gz HOWQCDHUQVSHGK-GHMZBOCLSA-N 1 0 233.290 2.393 20 30 BEEDRO C[C@@H](C#N)CN[NH+]=C1CCCNc2ccccc21 ZINC000774395813 585657282 /nfs/dbraw/zinc/65/72/82/585657282.db2.gz TUSDWUOZJZCTSY-NSHDSACASA-N 1 0 242.326 2.346 20 30 BEEDRO CCOCCO[NH+]=Cc1c(C)cc(N)cc1C ZINC000774440447 585659000 /nfs/dbraw/zinc/65/90/00/585659000.db2.gz XSUXGLZWSOKFKE-UHFFFAOYSA-N 1 0 236.315 2.273 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000775183493 585672923 /nfs/dbraw/zinc/67/29/23/585672923.db2.gz NDVOTPVMFOEBNG-VIFPVBQESA-N 1 0 223.703 2.499 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000775184256 585673019 /nfs/dbraw/zinc/67/30/19/585673019.db2.gz NUPAVAGESOPVFD-NSHDSACASA-N 1 0 203.285 2.154 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1C#N ZINC000859251172 589024277 /nfs/dbraw/zinc/02/42/77/589024277.db2.gz YPJPOQYQJLFMQI-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775309845 585675320 /nfs/dbraw/zinc/67/53/20/585675320.db2.gz GLUUDHFSGHXUMJ-LLVKDONJSA-N 1 0 244.338 2.260 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(C)c1)[C@@H]1CCCO1 ZINC000775344827 585676377 /nfs/dbraw/zinc/67/63/77/585676377.db2.gz KJQKPCVMRDQUNQ-GJZGRUSLSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccs1)[C@H]1CCCO1 ZINC000775571285 585680326 /nfs/dbraw/zinc/68/03/26/585680326.db2.gz DSVDOZOEMLYNBH-FPMFFAJLSA-N 1 0 249.379 2.450 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@H]1CCCO1 ZINC000775573681 585680754 /nfs/dbraw/zinc/68/07/54/585680754.db2.gz JBHBCQPGUQKQFS-AEGPPILISA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCCO1 ZINC000775788110 585684733 /nfs/dbraw/zinc/68/47/33/585684733.db2.gz CLIKQIDIUFVGAR-QWRGUYRKSA-N 1 0 249.276 2.489 20 30 BEEDRO C#C[C@H]([NH2+]CCCc1ccsc1)[C@@H]1CCCO1 ZINC000775804859 585685691 /nfs/dbraw/zinc/68/56/91/585685691.db2.gz CQLOPIHZNFDNLB-KBPBESRZSA-N 1 0 249.379 2.451 20 30 BEEDRO COc1ccc(CN(CCC#N)C(C)C)nc1 ZINC000775972330 585688538 /nfs/dbraw/zinc/68/85/38/585688538.db2.gz JPWTZMLFONPXPS-UHFFFAOYSA-N 1 0 233.315 2.214 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1ccccc1F)[C@@H]1CCCO1 ZINC000776002463 585689052 /nfs/dbraw/zinc/68/90/52/585689052.db2.gz SRKOMYKZMBBAKD-CABCVRRESA-N 1 0 247.313 2.139 20 30 BEEDRO C#CCCN1CC[NH+](C[C@H]2CCC[C@@H](C)C2)CC1 ZINC000776592514 585702090 /nfs/dbraw/zinc/70/20/90/585702090.db2.gz IMSFEAFSPXEKRU-CVEARBPZSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@]1(C)CCCO ZINC000776599162 585702134 /nfs/dbraw/zinc/70/21/34/585702134.db2.gz VPQMYPBUOYNHJK-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCN1CC[NH+]([C@H](C)CCCC=C)CC1 ZINC000776595088 585702411 /nfs/dbraw/zinc/70/24/11/585702411.db2.gz BTUBAPGVEJITJG-OAHLLOKOSA-N 1 0 234.387 2.372 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000776738436 585703823 /nfs/dbraw/zinc/70/38/23/585703823.db2.gz ALRVTNVSGJKAOU-MFKMUULPSA-N 1 0 247.317 2.052 20 30 BEEDRO COC[C@@H](C)N[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000777893677 585722627 /nfs/dbraw/zinc/72/26/27/585722627.db2.gz AWGNCTUHSFADFR-LLVKDONJSA-N 1 0 249.358 2.101 20 30 BEEDRO CC[C@@H](C(=O)OC1(C#N)CCC1)[NH+](CC)CC ZINC000778668400 585738782 /nfs/dbraw/zinc/73/87/82/585738782.db2.gz SHYSXUUUQHIMFX-NSHDSACASA-N 1 0 238.331 2.096 20 30 BEEDRO C=C(CC)COC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805613671 585740772 /nfs/dbraw/zinc/74/07/72/585740772.db2.gz GEQFKVDZTZAWOP-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000779021793 585744337 /nfs/dbraw/zinc/74/43/37/585744337.db2.gz ZNWGEFOWPZVFFD-SNVBAGLBSA-N 1 0 240.310 2.441 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(F)nc1)C1CC1 ZINC000779165233 585746016 /nfs/dbraw/zinc/74/60/16/585746016.db2.gz DXWSPOUGAAUOIH-UHFFFAOYSA-N 1 0 206.264 2.371 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000779165208 585746085 /nfs/dbraw/zinc/74/60/85/585746085.db2.gz BPNHGRGUEPXUEW-UHFFFAOYSA-N 1 0 233.290 2.346 20 30 BEEDRO C[C@@H](CCO)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000779411028 585753957 /nfs/dbraw/zinc/75/39/57/585753957.db2.gz CMUVSNMJBKLMGG-JSGCOSHPSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@@H](CCO)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000779411026 585754029 /nfs/dbraw/zinc/75/40/29/585754029.db2.gz CMUVSNMJBKLMGG-GXTWGEPZSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@@H]1CNC(NN=C2C[C@H](C)CC(C)(C)C2)=[NH+]1 ZINC000779793063 585764071 /nfs/dbraw/zinc/76/40/71/585764071.db2.gz RAJZSJYVNCVCIO-VHSXEESVSA-N 1 0 236.363 2.126 20 30 BEEDRO CCC[C@@H](C)C(CC)=NNC1=[NH+][C@@H](C)CN1 ZINC000779793811 585764102 /nfs/dbraw/zinc/76/41/02/585764102.db2.gz AGYCDBSRHTXJIF-ZJUUUORDSA-N 1 0 224.352 2.126 20 30 BEEDRO CC(C)=CCCC(C)=NNC1=[NH+][C@H](C)CN1 ZINC000779801513 585764633 /nfs/dbraw/zinc/76/46/33/585764633.db2.gz UUZQFVOTQHPJDW-LLVKDONJSA-N 1 0 222.336 2.046 20 30 BEEDRO CCC1(C)CCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000779801857 585764923 /nfs/dbraw/zinc/76/49/23/585764923.db2.gz ZRPJJZORWUBVEU-VUUHIHSGSA-N 1 0 236.363 2.270 20 30 BEEDRO C#CCCCCCC(=O)NCC(C)(C)[NH+](C)C ZINC000780686520 585783356 /nfs/dbraw/zinc/78/33/56/585783356.db2.gz RPWGWOWNINOLQK-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccccc1SC ZINC000781337251 585794866 /nfs/dbraw/zinc/79/48/66/585794866.db2.gz BTZCQHMDSBFLJD-UHFFFAOYSA-N 1 0 249.379 2.490 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(C(=O)OC)[nH]1)C(C)C ZINC000781897649 585804752 /nfs/dbraw/zinc/80/47/52/585804752.db2.gz RSYKDHAOECVSLE-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(CCCO)CC1 ZINC000782536522 585820019 /nfs/dbraw/zinc/82/00/19/585820019.db2.gz GZYPDNMHKQUWCT-CYBMUJFWSA-N 1 0 223.360 2.273 20 30 BEEDRO C[C@@H]1CC(=NNCCC(C)(C)C)CC[N@@H+]1C ZINC000782903041 585825661 /nfs/dbraw/zinc/82/56/61/585825661.db2.gz NHADPQCLEBOMBK-LLVKDONJSA-N 1 0 225.380 2.482 20 30 BEEDRO CSc1ccccc1CC(C)=[NH+]n1cnnc1 ZINC000782893592 585825828 /nfs/dbraw/zinc/82/58/28/585825828.db2.gz MURDWNXGOIGBHQ-UHFFFAOYSA-N 1 0 246.339 2.467 20 30 BEEDRO C#CCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000783029932 585827263 /nfs/dbraw/zinc/82/72/63/585827263.db2.gz JBLJSHANDIISHS-UHFFFAOYSA-N 1 0 245.370 2.399 20 30 BEEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CC1 ZINC000783300444 585833186 /nfs/dbraw/zinc/83/31/86/585833186.db2.gz MMDAUPNGQQYNFQ-AWEZNQCLSA-N 1 0 229.327 2.477 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805748660 585838751 /nfs/dbraw/zinc/83/87/51/585838751.db2.gz QTIRMCBEXBEQOY-JSGCOSHPSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](C[Si](C)(C)C)C1 ZINC000784456206 585860580 /nfs/dbraw/zinc/86/05/80/585860580.db2.gz ZPIRMOCXIIWSHH-LLVKDONJSA-N 1 0 210.397 2.489 20 30 BEEDRO CCOCOc1ccc(C[NH2+]CCCC#N)cc1 ZINC000784620818 585864887 /nfs/dbraw/zinc/86/48/87/585864887.db2.gz AGSIOCAPILBMSG-UHFFFAOYSA-N 1 0 248.326 2.453 20 30 BEEDRO C=CCCCOC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785728925 585878884 /nfs/dbraw/zinc/87/88/84/585878884.db2.gz JMEDMHFLOFFVQM-RYUDHWBXSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(CC)COC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000785735279 585879267 /nfs/dbraw/zinc/87/92/67/585879267.db2.gz URJAYIFHIFZPPI-RYUDHWBXSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCCCCC[NH2+]C1(C(=O)NC)CCCC1 ZINC000785754362 585879633 /nfs/dbraw/zinc/87/96/33/585879633.db2.gz AJXALKXPXBWERY-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C#CCOCC[N@H+](C)CCCCCC=C ZINC000785768275 585880011 /nfs/dbraw/zinc/88/00/11/585880011.db2.gz PAINWTBNCULQOP-UHFFFAOYSA-N 1 0 209.333 2.314 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000785767226 585880079 /nfs/dbraw/zinc/88/00/79/585880079.db2.gz NMLVEHMHAUKNDG-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C/C=C(\C)C(=O)OC ZINC000785998208 585884873 /nfs/dbraw/zinc/88/48/73/585884873.db2.gz ZFJWQUOKHMCBSH-JATZPVMKSA-N 1 0 223.316 2.146 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000785998630 585884979 /nfs/dbraw/zinc/88/49/79/585884979.db2.gz JKOLYXSLVZMWAE-NEPJUHHUSA-N 1 0 235.327 2.123 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000786444177 585891473 /nfs/dbraw/zinc/89/14/73/585891473.db2.gz JZRQYWDCHBOIMO-LLVKDONJSA-N 1 0 242.363 2.408 20 30 BEEDRO C=CCOC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000786815171 585897607 /nfs/dbraw/zinc/89/76/07/585897607.db2.gz AQKKFURJWQBRCX-UHFFFAOYSA-N 1 0 245.322 2.164 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NOCC(F)F)C1 ZINC000788437717 585923355 /nfs/dbraw/zinc/92/33/55/585923355.db2.gz CMJVDPRHCSIUAL-SECBINFHSA-N 1 0 220.263 2.128 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc[nH]c(=O)c1 ZINC000788800910 585930496 /nfs/dbraw/zinc/93/04/96/585930496.db2.gz JMECYGQOTZOGHS-JTQLQIEISA-N 1 0 231.299 2.132 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)cc1 ZINC000788852145 585931192 /nfs/dbraw/zinc/93/11/92/585931192.db2.gz DZEIWPUYCMZVAE-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000788981545 585932958 /nfs/dbraw/zinc/93/29/58/585932958.db2.gz RSYQHFQODYUIFW-NSHDSACASA-N 1 0 245.313 2.440 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000789507622 585943567 /nfs/dbraw/zinc/94/35/67/585943567.db2.gz SZBDDLOVLYXUIF-AWEZNQCLSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC[C@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000789804258 585949764 /nfs/dbraw/zinc/94/97/64/585949764.db2.gz LAPXSMISUUOMJH-RYUDHWBXSA-N 1 0 227.348 2.471 20 30 BEEDRO CC[C@H](C)NN=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000790187513 585960431 /nfs/dbraw/zinc/96/04/31/585960431.db2.gz BZSURMXMKOTCAH-QWRGUYRKSA-N 1 0 211.353 2.091 20 30 BEEDRO CC[C@@H](C)NN=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000790187515 585960444 /nfs/dbraw/zinc/96/04/44/585960444.db2.gz BZSURMXMKOTCAH-WDEREUQCSA-N 1 0 211.353 2.091 20 30 BEEDRO C#CC[N@H+](C)CCSCc1ccccc1 ZINC000790349458 585964107 /nfs/dbraw/zinc/96/41/07/585964107.db2.gz WIMLLPLHWOIOEL-UHFFFAOYSA-N 1 0 219.353 2.485 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H](C)CC ZINC000791799330 585988083 /nfs/dbraw/zinc/98/80/83/585988083.db2.gz ALSXEUZABRVMGY-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCC[N@@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000792465162 586000986 /nfs/dbraw/zinc/00/09/86/586000986.db2.gz KPXVYRDGYLPSFN-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC1(F)CC1 ZINC000792984096 586007878 /nfs/dbraw/zinc/00/78/78/586007878.db2.gz DZPIPRVJDBOKKY-UHFFFAOYSA-N 1 0 233.286 2.290 20 30 BEEDRO C=C[C@H](CC)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793185858 586013381 /nfs/dbraw/zinc/01/33/81/586013381.db2.gz LQBRXVMCVDIHRS-GFCCVEGCSA-N 1 0 230.267 2.456 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000793527963 586022076 /nfs/dbraw/zinc/02/20/76/586022076.db2.gz QYWANPJXHMLAEH-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc(F)n2)C[N@@H+]1C1CC1 ZINC000795006689 586064804 /nfs/dbraw/zinc/06/48/04/586064804.db2.gz FTOYQFUTZUFLSS-SECBINFHSA-N 1 0 248.305 2.245 20 30 BEEDRO COCCCON=C(C)C[NH+]1CCCCCC1 ZINC000795041677 586066301 /nfs/dbraw/zinc/06/63/01/586066301.db2.gz FUPJWGBEQMNMGJ-UHFFFAOYSA-N 1 0 242.363 2.291 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000797525815 586128334 /nfs/dbraw/zinc/12/83/34/586128334.db2.gz SIEFUWCMBIMJON-AWEZNQCLSA-N 1 0 240.391 2.415 20 30 BEEDRO CC(C)[C@H](C(=O)OCC(C)(C)CC#N)[NH+](C)C ZINC000798854086 586151707 /nfs/dbraw/zinc/15/17/07/586151707.db2.gz MAZSSGYMRORBNV-LLVKDONJSA-N 1 0 240.347 2.056 20 30 BEEDRO C(CC1CCCCCC1)=[NH+]n1cnnc1 ZINC000799105282 586156533 /nfs/dbraw/zinc/15/65/33/586156533.db2.gz RWVVWLCICGZOEN-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(CO)ccc1F ZINC000859318815 589031019 /nfs/dbraw/zinc/03/10/19/589031019.db2.gz HTVSCMTXNJJLRJ-CQSZACIVSA-N 1 0 235.302 2.210 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCC(=O)N(C)OC ZINC000799124175 586159918 /nfs/dbraw/zinc/15/99/18/586159918.db2.gz GQRWVRAKHHJYHN-UHFFFAOYSA-N 1 0 242.363 2.075 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccnc(F)c1 ZINC000859318690 589031193 /nfs/dbraw/zinc/03/11/93/589031193.db2.gz FURJSHKSVIKOLU-GFCCVEGCSA-N 1 0 206.264 2.112 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194627 586166056 /nfs/dbraw/zinc/16/60/56/586166056.db2.gz HXMZBEZEJONNFZ-ZDUSSCGKSA-N 1 0 214.312 2.284 20 30 BEEDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000799719688 586194360 /nfs/dbraw/zinc/19/43/60/586194360.db2.gz UZTQHVJSUBTTCD-NDBYEHHHSA-N 1 0 248.326 2.373 20 30 BEEDRO C=C(Cl)C[NH+]1CCC(CCOC)CC1 ZINC000859397696 589034921 /nfs/dbraw/zinc/03/49/21/589034921.db2.gz PKNBNSZZQJQTOK-UHFFFAOYSA-N 1 0 217.740 2.487 20 30 BEEDRO CCCCCCC[N@@H+]1CC(=O)NCC1(C)C ZINC000800489171 586222733 /nfs/dbraw/zinc/22/27/33/586222733.db2.gz UCZQPTHGPDJJGB-UHFFFAOYSA-N 1 0 226.364 2.167 20 30 BEEDRO C=CC[C@@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC000859443390 589037125 /nfs/dbraw/zinc/03/71/25/589037125.db2.gz GBLXPYCUPPQSOO-SNVBAGLBSA-N 1 0 239.750 2.472 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nccc(C)n2)C1 ZINC000859445672 589037397 /nfs/dbraw/zinc/03/73/97/589037397.db2.gz MWAHHEJIYHFQEP-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000859446069 589037854 /nfs/dbraw/zinc/03/78/54/589037854.db2.gz UJEVMQACHFWASS-NEPJUHHUSA-N 1 0 225.332 2.036 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000801940478 586280318 /nfs/dbraw/zinc/28/03/18/586280318.db2.gz NCQARQDIEBKWOW-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](CC1CC1)CC1CCC1 ZINC000801952684 586282767 /nfs/dbraw/zinc/28/27/67/586282767.db2.gz COMFYLVSNHWDED-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859563551 589045178 /nfs/dbraw/zinc/04/51/78/589045178.db2.gz VGTFBVKFGOHCAR-ZDUSSCGKSA-N 1 0 200.285 2.146 20 30 BEEDRO C#CCCC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000859617881 589048958 /nfs/dbraw/zinc/04/89/58/589048958.db2.gz FMTYYBDUMLCNOJ-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CCC[N@@H+](C)CN1C(=O)[C@H](C2CC2)[C@H]1C1CC1 ZINC000840056145 586407007 /nfs/dbraw/zinc/40/70/07/586407007.db2.gz YPXQNJKQLRFCCY-ZIAGYGMSSA-N 1 0 248.370 2.099 20 30 BEEDRO CC[C@H]1CCC1=NNCC[NH+]1CCCCC1 ZINC000807964577 586453644 /nfs/dbraw/zinc/45/36/44/586453644.db2.gz MZGHGPGNYCZURQ-LBPRGKRZSA-N 1 0 223.364 2.238 20 30 BEEDRO C=CC1CC[NH+](CN2CC(C)(C)CC2=O)CC1 ZINC000808157906 586465384 /nfs/dbraw/zinc/46/53/84/586465384.db2.gz RHPISEUPULFEHI-UHFFFAOYSA-N 1 0 236.359 2.100 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000809571438 586507063 /nfs/dbraw/zinc/50/70/63/586507063.db2.gz RKYRCQITAWMAHW-ZIAGYGMSSA-N 1 0 232.327 2.248 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCCO)C2CC2)cc1 ZINC000809576162 586507663 /nfs/dbraw/zinc/50/76/63/586507663.db2.gz QLBJOOZANJBYRO-UHFFFAOYSA-N 1 0 229.323 2.015 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@H](c2ccco2)C1 ZINC000809576994 586508292 /nfs/dbraw/zinc/50/82/92/586508292.db2.gz ITAFXRHAZVZGPC-UPJWGTAASA-N 1 0 248.326 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1 ZINC000809621211 586509407 /nfs/dbraw/zinc/50/94/07/586509407.db2.gz XLPILNXGNITEFX-HNNXBMFYSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000809623046 586509473 /nfs/dbraw/zinc/50/94/73/586509473.db2.gz PLJIHOVWXTTWAA-CVEARBPZSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)CN(CC)CC)cc1 ZINC000809616023 586509474 /nfs/dbraw/zinc/50/94/74/586509474.db2.gz HIAZLKMFVFAHRL-AWEZNQCLSA-N 1 0 244.382 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000809623047 586509489 /nfs/dbraw/zinc/50/94/89/586509489.db2.gz PLJIHOVWXTTWAA-HOTGVXAUSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1 ZINC000809629641 586509792 /nfs/dbraw/zinc/50/97/92/586509792.db2.gz AJWNXRYBGODATL-NSHDSACASA-N 1 0 225.295 2.242 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1 ZINC000809628859 586509968 /nfs/dbraw/zinc/50/99/68/586509968.db2.gz TVDIBSVJIQBKKW-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(CCO)CCC2)cc1 ZINC000809626804 586510033 /nfs/dbraw/zinc/51/00/33/586510033.db2.gz LEVKQZCSVYFSFZ-UHFFFAOYSA-N 1 0 243.350 2.310 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2CCO)cc1 ZINC000809646215 586510849 /nfs/dbraw/zinc/51/08/49/586510849.db2.gz WLVSNULJDVGIRJ-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(O)cccc1OC)C(C)C ZINC000809685232 586512036 /nfs/dbraw/zinc/51/20/36/586512036.db2.gz HUXAQPVGGSUZKH-GFCCVEGCSA-N 1 0 233.311 2.148 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn2cccc(F)c2n1)C(C)C ZINC000809685350 586512067 /nfs/dbraw/zinc/51/20/67/586512067.db2.gz OZKBPOSQMZUMIB-CYBMUJFWSA-N 1 0 245.301 2.221 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809684198 586512283 /nfs/dbraw/zinc/51/22/83/586512283.db2.gz REXIKVBYQQDXCL-NWDGAFQWSA-N 1 0 228.295 2.089 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000809684186 586512461 /nfs/dbraw/zinc/51/24/61/586512461.db2.gz QQQFOGUKZARFEN-CHWSQXEVSA-N 1 0 244.338 2.323 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](C)COC ZINC000809718843 586514855 /nfs/dbraw/zinc/51/48/55/586514855.db2.gz ZJUFQIUZFPQZLE-CQSZACIVSA-N 1 0 231.339 2.404 20 30 BEEDRO C#CCCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000810045892 586532738 /nfs/dbraw/zinc/53/27/38/586532738.db2.gz YENYIMMHEVHJSY-JTQLQIEISA-N 1 0 201.260 2.377 20 30 BEEDRO CON=C1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811638716 586562214 /nfs/dbraw/zinc/56/22/14/586562214.db2.gz XHKZBBGAPDMHEU-NSHDSACASA-N 1 0 218.300 2.283 20 30 BEEDRO CC(C)[N@H+]1CC(=NOC/C=C\Cl)[C@H](C)C1 ZINC000811670732 586565366 /nfs/dbraw/zinc/56/53/66/586565366.db2.gz APBRZUABKCFBMI-NXBXCSKVSA-N 1 0 230.739 2.472 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000811967027 586569131 /nfs/dbraw/zinc/56/91/31/586569131.db2.gz HPSUSKMGAZHZSS-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)cc1 ZINC000812777968 586583888 /nfs/dbraw/zinc/58/38/88/586583888.db2.gz COUJOLXKHYMACE-AWEZNQCLSA-N 1 0 229.323 2.013 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CC)[C@H]2CCOC2)cc1 ZINC000812780428 586584302 /nfs/dbraw/zinc/58/43/02/586584302.db2.gz DPEKMCZBXATMJV-HNNXBMFYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1C[C@H]1CCC ZINC000813067461 586590304 /nfs/dbraw/zinc/59/03/04/586590304.db2.gz PYCWYNDFQLHXOD-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000814117603 586614242 /nfs/dbraw/zinc/61/42/42/586614242.db2.gz WMNXAZVTHYQIOU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(=NOCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000814880067 586641803 /nfs/dbraw/zinc/64/18/03/586641803.db2.gz PXYRDHLQTSTLJH-UHFFFAOYSA-N 1 0 238.253 2.283 20 30 BEEDRO CCC(=[NH+]N[C@H](C)CC#N)c1cccc(N)c1 ZINC000814881112 586641911 /nfs/dbraw/zinc/64/19/11/586641911.db2.gz ITAHDVULPNAJKI-SNVBAGLBSA-N 1 0 230.315 2.275 20 30 BEEDRO CC(=NOCC1CC1)C1CC[NH+](C)CC1 ZINC000814941106 586656009 /nfs/dbraw/zinc/65/60/09/586656009.db2.gz OMFWVCIJMAQHEL-UHFFFAOYSA-N 1 0 210.321 2.131 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000815284338 586677260 /nfs/dbraw/zinc/67/72/60/586677260.db2.gz PSNMETPMKAFXAF-CQSZACIVSA-N 1 0 235.302 2.123 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@]1(C)CCCO1 ZINC000815618833 586689500 /nfs/dbraw/zinc/68/95/00/586689500.db2.gz VQYTYZSRKHPXHU-SMDDNHRTSA-N 1 0 245.326 2.000 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@H]1C(C)(C)C ZINC000815652030 586690348 /nfs/dbraw/zinc/69/03/48/586690348.db2.gz LSEYDYLRFKNCCK-KGLIPLIRSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]1C(C)C ZINC000815652838 586690875 /nfs/dbraw/zinc/69/08/75/586690875.db2.gz WJBOGWVQDJAYSJ-HUUCEWRRSA-N 1 0 236.403 2.356 20 30 BEEDRO C#Cc1ccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000816653733 586752675 /nfs/dbraw/zinc/75/26/75/586752675.db2.gz GHYQKGXXJKXCSE-OKILXGFUSA-N 1 0 242.366 2.192 20 30 BEEDRO CO[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817323367 586794247 /nfs/dbraw/zinc/79/42/47/586794247.db2.gz XMCOQTUZZDCFMW-UHFFFAOYSA-N 1 0 204.273 2.346 20 30 BEEDRO C#CCCCC[NH2+]Cc1nn(C)c(C)c1Cl ZINC000817408898 586801180 /nfs/dbraw/zinc/80/11/80/586801180.db2.gz RRKUNPRBRUXCBU-UHFFFAOYSA-N 1 0 239.750 2.275 20 30 BEEDRO C=CC[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895300 586834901 /nfs/dbraw/zinc/83/49/01/586834901.db2.gz XQOFMNBQAMKYLR-CFVMTHIKSA-N 1 0 245.370 2.429 20 30 BEEDRO C#CCOc1ccc([C@H](C)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000817977237 586861716 /nfs/dbraw/zinc/86/17/16/586861716.db2.gz FIFILOHMBLJTHM-AVGNSLFASA-N 1 0 246.354 2.085 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1CC(C(C)(C)C)C1 ZINC000818137670 586876524 /nfs/dbraw/zinc/87/65/24/586876524.db2.gz WXUHVFHYENCATP-UHFFFAOYSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000818344999 586887205 /nfs/dbraw/zinc/88/72/05/586887205.db2.gz RYOZJTIZMKXSLF-QWRGUYRKSA-N 1 0 236.363 2.297 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356769 586888831 /nfs/dbraw/zinc/88/88/31/586888831.db2.gz QXXANDAZLSMQSZ-WUHRBBMRSA-N 1 0 222.332 2.083 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000859955595 589074047 /nfs/dbraw/zinc/07/40/47/589074047.db2.gz WJNMDEBTOMJZIH-IHRRRGAJSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000818950360 586916010 /nfs/dbraw/zinc/91/60/10/586916010.db2.gz VSMWIARYPHLAFR-RKDXNWHRSA-N 1 0 246.141 2.213 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000818950358 586917545 /nfs/dbraw/zinc/91/75/45/586917545.db2.gz VSMWIARYPHLAFR-DTWKUNHWSA-N 1 0 246.141 2.213 20 30 BEEDRO N#CCCCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000819016493 586923832 /nfs/dbraw/zinc/92/38/32/586923832.db2.gz MKVQZEWLGFZASI-ZDUSSCGKSA-N 1 0 236.290 2.143 20 30 BEEDRO N#CCCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000819016756 586924107 /nfs/dbraw/zinc/92/41/07/586924107.db2.gz TUMCLPXAYQWCCA-CYBMUJFWSA-N 1 0 236.290 2.143 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000819115426 586931144 /nfs/dbraw/zinc/93/11/44/586931144.db2.gz BAEXXRKMHLBEPH-CQSZACIVSA-N 1 0 235.302 2.171 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1ccccc1C ZINC000819156502 586934253 /nfs/dbraw/zinc/93/42/53/586934253.db2.gz JAXVNNZGPDLZKW-HNNXBMFYSA-N 1 0 231.339 2.422 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000819213418 586939352 /nfs/dbraw/zinc/93/93/52/586939352.db2.gz MRGVQXIOGQGBJG-CQSZACIVSA-N 1 0 217.312 2.031 20 30 BEEDRO C#CC[C@H](Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000819304955 586949691 /nfs/dbraw/zinc/94/96/91/586949691.db2.gz KVFZDALTDOPYGS-OAHLLOKOSA-N 1 0 243.350 2.126 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819383714 586959756 /nfs/dbraw/zinc/95/97/56/586959756.db2.gz MOBVGYJJCDYSAM-YUTCNCBUSA-N 1 0 230.311 2.002 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1ccns1 ZINC000860061194 589077560 /nfs/dbraw/zinc/07/75/60/589077560.db2.gz HMQLNTCAFUWGDS-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ncc(C)o2)CC1 ZINC000820658805 587063676 /nfs/dbraw/zinc/06/36/76/587063676.db2.gz RROLJUDUFSGBSM-UHFFFAOYSA-N 1 0 221.304 2.045 20 30 BEEDRO CC(C)C#CC(=O)Nc1ccccc1C[NH+](C)C ZINC000821737712 587136154 /nfs/dbraw/zinc/13/61/54/587136154.db2.gz NMWVPPXVIASWPP-UHFFFAOYSA-N 1 0 244.338 2.346 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000822481230 587170925 /nfs/dbraw/zinc/17/09/25/587170925.db2.gz NEKDGTNNPAMDEX-MRVPVSSYSA-N 1 0 239.221 2.119 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(C)c1O ZINC000822494692 587171812 /nfs/dbraw/zinc/17/18/12/587171812.db2.gz SZNWCGGUWXIIOV-JSGCOSHPSA-N 1 0 247.338 2.381 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000823185225 587206919 /nfs/dbraw/zinc/20/69/19/587206919.db2.gz PVMCVVCFFCIZRE-NSHDSACASA-N 1 0 216.756 2.011 20 30 BEEDRO C#CCCC[NH2+]Cc1ccnc(Cl)c1F ZINC000823949792 587246993 /nfs/dbraw/zinc/24/69/93/587246993.db2.gz UTBXGLPCMQLZDE-UHFFFAOYSA-N 1 0 226.682 2.377 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC1(C)OCCO1 ZINC000824031842 587249666 /nfs/dbraw/zinc/24/96/66/587249666.db2.gz BZWBKOXWVZFCET-GFCCVEGCSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000824074618 587253618 /nfs/dbraw/zinc/25/36/18/587253618.db2.gz VYHXVYBCKBYVMH-NSHDSACASA-N 1 0 236.363 2.441 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CC3(CC3)C2)cc1 ZINC000824533557 587273599 /nfs/dbraw/zinc/27/35/99/587273599.db2.gz HYRRYFDERFIYQD-UHFFFAOYSA-N 1 0 227.307 2.294 20 30 BEEDRO C=CCC1(NC(=O)C[NH+]2CCCC2)CCCC1 ZINC000824580610 587277732 /nfs/dbraw/zinc/27/77/32/587277732.db2.gz NXGWUFTWJQLWIE-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)c(C)cc1O ZINC000824861827 587291161 /nfs/dbraw/zinc/29/11/61/587291161.db2.gz QPIHIIBDNGRDIQ-HIFRSBDPSA-N 1 0 247.338 2.442 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2COCC2(C)C)cc1 ZINC000825098773 587303594 /nfs/dbraw/zinc/30/35/94/587303594.db2.gz OEKDHIPXZALYQO-AWEZNQCLSA-N 1 0 229.323 2.183 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(Cl)nc1 ZINC000825169173 587307424 /nfs/dbraw/zinc/30/74/24/587307424.db2.gz WXJZTIZMFHNMGB-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)CCOC)c1 ZINC000825225897 587310364 /nfs/dbraw/zinc/31/03/64/587310364.db2.gz BDCHMHWEPCWYGN-LBPRGKRZSA-N 1 0 217.312 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c1 ZINC000825227630 587310492 /nfs/dbraw/zinc/31/04/92/587310492.db2.gz VVXMBHFAHDTGLF-TYNCELHUSA-N 1 0 229.323 2.323 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000825878249 587342993 /nfs/dbraw/zinc/34/29/93/587342993.db2.gz GUZRVZMZYKMWOZ-VIFPVBQESA-N 1 0 216.309 2.408 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CSCCF ZINC000825878176 587343417 /nfs/dbraw/zinc/34/34/17/587343417.db2.gz DONICKFQTJAFGB-UWVGGRQHSA-N 1 0 203.326 2.079 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)C(C)(C)C ZINC000825939837 587346531 /nfs/dbraw/zinc/34/65/31/587346531.db2.gz HUTQLADSKNQNHJ-CQSZACIVSA-N 1 0 245.370 2.435 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000826915362 587365336 /nfs/dbraw/zinc/36/53/36/587365336.db2.gz IVMSDMGYSBYQAX-BQYQJAHWSA-N 1 0 235.283 2.132 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2CCC=CO2)CCOCC1 ZINC000827146828 587371035 /nfs/dbraw/zinc/37/10/35/587371035.db2.gz JYPCVPUPDSAWCM-ZDUSSCGKSA-N 1 0 237.343 2.394 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2CCC=CO2)CCOCC1 ZINC000827146826 587371047 /nfs/dbraw/zinc/37/10/47/587371047.db2.gz JYPCVPUPDSAWCM-CYBMUJFWSA-N 1 0 237.343 2.394 20 30 BEEDRO C#Cc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)cc1 ZINC000827151643 587371408 /nfs/dbraw/zinc/37/14/08/587371408.db2.gz HKGMTHOSCSOCBG-STQMWFEESA-N 1 0 243.350 2.117 20 30 BEEDRO C#Cc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)cc1 ZINC000827151642 587371488 /nfs/dbraw/zinc/37/14/88/587371488.db2.gz HKGMTHOSCSOCBG-CHWSQXEVSA-N 1 0 243.350 2.117 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CCOCC1 ZINC000827554905 587387714 /nfs/dbraw/zinc/38/77/14/587387714.db2.gz KZSZANILFUPCIA-LXTVHRRPSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(C(C)C)C1)C1CCOCC1 ZINC000827559865 587388147 /nfs/dbraw/zinc/38/81/47/587388147.db2.gz KIHNOVBCOFNYHL-YMAMQOFZSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000827565131 587388371 /nfs/dbraw/zinc/38/83/71/587388371.db2.gz JJCQRGDJUBFLFE-CFVMTHIKSA-N 1 0 246.354 2.087 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1ccccn1)C1CCOCC1 ZINC000827565194 587388378 /nfs/dbraw/zinc/38/83/78/587388378.db2.gz JSFNYFUAELCRCP-JSGCOSHPSA-N 1 0 244.338 2.161 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(C)(C)C1)C1CCOCC1 ZINC000827561076 587388398 /nfs/dbraw/zinc/38/83/98/587388398.db2.gz XSICRSRWTFLVAZ-CYBMUJFWSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)C1CCOCC1 ZINC000827560698 587388560 /nfs/dbraw/zinc/38/85/60/587388560.db2.gz TYXFEXMBBZDUSW-BNOWGMLFSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](C)CC)C1CCOCC1 ZINC000827560842 587388583 /nfs/dbraw/zinc/38/85/83/587388583.db2.gz VFSKMODUXAKRKW-DGCLKSJQSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1CC)C1CCOCC1 ZINC000827561060 587388622 /nfs/dbraw/zinc/38/86/22/587388622.db2.gz XOBRVWUTDJEGOO-UBHSHLNASA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CC1(C)C)C1CCOCC1 ZINC000827560702 587388675 /nfs/dbraw/zinc/38/86/75/587388675.db2.gz TYXFEXMBBZDUSW-YUTCNCBUSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H]1CC=CCC1)C1CCOCC1 ZINC000827565466 587388880 /nfs/dbraw/zinc/38/88/80/587388880.db2.gz MGRGENLXAWRPSZ-DZGCQCFKSA-N 1 0 233.355 2.361 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)C1CCOCC1 ZINC000827565830 587389108 /nfs/dbraw/zinc/38/91/08/587389108.db2.gz OYLCCAJWLDGOBA-YUTCNCBUSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[NH+](CC#C)CCC1=CCCCC1 ZINC000827947803 587412309 /nfs/dbraw/zinc/41/23/09/587412309.db2.gz CNERGWMUDVEQJC-UHFFFAOYSA-N 1 0 201.313 2.445 20 30 BEEDRO C=CC[N@H+](CCOC)CCC(=O)CC(C)C ZINC000828419426 587441413 /nfs/dbraw/zinc/44/14/13/587441413.db2.gz CAFSYOFETQJCQQ-UHFFFAOYSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCC[NH+]1CCC(OC(C)=O)CC1 ZINC000828480349 587444861 /nfs/dbraw/zinc/44/48/61/587444861.db2.gz PGKODZPKCDAONM-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCOC1 ZINC000828808675 587463237 /nfs/dbraw/zinc/46/32/37/587463237.db2.gz VFAJQHFBQPQFLX-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCOC1 ZINC000828808672 587463260 /nfs/dbraw/zinc/46/32/60/587463260.db2.gz VFAJQHFBQPQFLX-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000828903993 587470736 /nfs/dbraw/zinc/47/07/36/587470736.db2.gz ALOPXCISNSHOEF-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCC=C)[C@H]1CCCO1 ZINC000828953614 587473675 /nfs/dbraw/zinc/47/36/75/587473675.db2.gz JSHORTSQOSSMKX-CHWSQXEVSA-N 1 0 207.317 2.113 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000829518947 587502123 /nfs/dbraw/zinc/50/21/23/587502123.db2.gz NGKSKSVTZSYURR-AWEZNQCLSA-N 1 0 214.312 2.284 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000829768494 587514543 /nfs/dbraw/zinc/51/45/43/587514543.db2.gz DUVNYPKGLBJMKI-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000829774823 587514972 /nfs/dbraw/zinc/51/49/72/587514972.db2.gz UPCMKNKHUXFCLU-AWEZNQCLSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000829773526 587515015 /nfs/dbraw/zinc/51/50/15/587515015.db2.gz FJBYSQOAYHPZNH-VXGBXAGGSA-N 1 0 247.342 2.428 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(C)no2)C1 ZINC000829774663 587515386 /nfs/dbraw/zinc/51/53/86/587515386.db2.gz RUHMHYDVIDZEAU-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)OCCC)C1 ZINC000829784902 587516314 /nfs/dbraw/zinc/51/63/14/587516314.db2.gz OBAWBBPJXLXTNY-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000829806136 587517780 /nfs/dbraw/zinc/51/77/80/587517780.db2.gz ZUWMDQLRGOOVLY-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCc2ccnn2CC)C1 ZINC000829810353 587518706 /nfs/dbraw/zinc/51/87/06/587518706.db2.gz OPORWIMGYWMAQX-CQSZACIVSA-N 1 0 245.370 2.181 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)C2CC2)C1 ZINC000829811183 587518960 /nfs/dbraw/zinc/51/89/60/587518960.db2.gz ZFAQAJKRGSSFNA-LBPRGKRZSA-N 1 0 219.328 2.091 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](CC)OC)C1 ZINC000829816035 587519558 /nfs/dbraw/zinc/51/95/58/587519558.db2.gz YESPHBNBCVFTEL-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC2(CC(=O)OC)CC2)C1 ZINC000829815449 587519716 /nfs/dbraw/zinc/51/97/16/587519716.db2.gz LXZXUASCWFOBRG-ZDUSSCGKSA-N 1 0 249.354 2.065 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000829815468 587519998 /nfs/dbraw/zinc/51/99/98/587519998.db2.gz MKFNQKWYIIYDCX-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C=C(Cl)CN1CCOC[C@H]1C1CCC1 ZINC000830240396 587543570 /nfs/dbraw/zinc/54/35/70/587543570.db2.gz SXNDLFFNDUUNIM-NSHDSACASA-N 1 0 215.724 2.240 20 30 BEEDRO C#CC1CC[NH+](CCSC(C)C)CC1 ZINC000830350380 587547057 /nfs/dbraw/zinc/54/70/57/587547057.db2.gz BBBLRIUJUNHXFZ-UHFFFAOYSA-N 1 0 211.374 2.473 20 30 BEEDRO C#CC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000830350662 587547298 /nfs/dbraw/zinc/54/72/98/587547298.db2.gz FPFXTNBWFIOVPC-INIZCTEOSA-N 1 0 243.350 2.455 20 30 BEEDRO C=C1CCC(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000830980251 587579598 /nfs/dbraw/zinc/57/95/98/587579598.db2.gz MSJFARSLRYSPSO-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831010608 587582071 /nfs/dbraw/zinc/58/20/71/587582071.db2.gz YABZSVAXINBILT-ZQNQSHIBSA-N 1 0 246.354 2.059 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000831359385 587600916 /nfs/dbraw/zinc/60/09/16/587600916.db2.gz VRBMMXXAZNZUES-RYUDHWBXSA-N 1 0 209.333 2.191 20 30 BEEDRO C=CCCC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831455100 587609137 /nfs/dbraw/zinc/60/91/37/587609137.db2.gz POIZANGKOVEROE-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831458261 587609671 /nfs/dbraw/zinc/60/96/71/587609671.db2.gz LDTLFWLICZDFHZ-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C#CCCC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000831665126 587624789 /nfs/dbraw/zinc/62/47/89/587624789.db2.gz ZPLQABRZXLORQS-ZIAGYGMSSA-N 1 0 225.376 2.279 20 30 BEEDRO C#CCCC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000831665125 587627101 /nfs/dbraw/zinc/62/71/01/587627101.db2.gz ZPLQABRZXLORQS-UONOGXRCSA-N 1 0 225.376 2.279 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CCCCCC ZINC000831682758 587627390 /nfs/dbraw/zinc/62/73/90/587627390.db2.gz ASTNZTUJLYRNPC-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C#CCCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000831778952 587631599 /nfs/dbraw/zinc/63/15/99/587631599.db2.gz YOSGBVCDLCKJNW-GFCCVEGCSA-N 1 0 209.358 2.227 20 30 BEEDRO C#CCC[N@@H+]1CCc2cccc(OC)c2C1 ZINC000831949231 587638024 /nfs/dbraw/zinc/63/80/24/587638024.db2.gz VWEYFDGQDGKEJI-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000834761479 587766201 /nfs/dbraw/zinc/76/62/01/587766201.db2.gz QXGABMBWXBXCNK-AWEZNQCLSA-N 1 0 246.354 2.032 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CCC)C1CCC1 ZINC000834761716 587766312 /nfs/dbraw/zinc/76/63/12/587766312.db2.gz SWVNKXZGGKEYHI-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000834888906 587769606 /nfs/dbraw/zinc/76/96/06/587769606.db2.gz QZHRKLSKGJEQJC-QKCSRTOESA-N 1 0 233.311 2.386 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000834903795 587769908 /nfs/dbraw/zinc/76/99/08/587769908.db2.gz SEWKYGMAPLXOIZ-IUODEOHRSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000834903797 587770007 /nfs/dbraw/zinc/77/00/07/587770007.db2.gz SEWKYGMAPLXOIZ-WFASDCNBSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000834903519 587770011 /nfs/dbraw/zinc/77/00/11/587770011.db2.gz QCAJWGMDMLOMSV-NEPJUHHUSA-N 1 0 217.312 2.181 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000834903946 587770096 /nfs/dbraw/zinc/77/00/96/587770096.db2.gz UHPKARSEDAYYJT-AWEZNQCLSA-N 1 0 229.323 2.325 20 30 BEEDRO Cc1cc(C)[nH+]c(NNC=C2CC2(F)F)n1 ZINC000834913300 587770629 /nfs/dbraw/zinc/77/06/29/587770629.db2.gz WVTKCYIOWLXSAV-MRVPVSSYSA-N 1 0 226.230 2.146 20 30 BEEDRO CCCN[NH+]=C1CCCc2cc(N)ccc21 ZINC000834940237 587771787 /nfs/dbraw/zinc/77/17/87/587771787.db2.gz AWQDIFBIDYUPJE-UHFFFAOYSA-N 1 0 217.316 2.309 20 30 BEEDRO CC(Cc1ccoc1)N=NCC[NH+]1CCCCC1 ZINC000834943125 587772183 /nfs/dbraw/zinc/77/21/83/587772183.db2.gz QQQCFVNATBWAKE-UHFFFAOYSA-N 1 0 249.358 2.274 20 30 BEEDRO COCCO[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000834963747 587772867 /nfs/dbraw/zinc/77/28/67/587772867.db2.gz SFTVXWIGXKHMMA-KIGJSBELSA-N 1 0 248.326 2.415 20 30 BEEDRO CC(C)CN[NH+]=C1CCc2cc(N)ccc21 ZINC000834967943 587773740 /nfs/dbraw/zinc/77/37/40/587773740.db2.gz ACWRCLISSNMMLB-UHFFFAOYSA-N 1 0 217.316 2.165 20 30 BEEDRO COCCCO[NH+]=C1CCCc2cc(N)ccc21 ZINC000834979063 587775444 /nfs/dbraw/zinc/77/54/44/587775444.db2.gz DQKNGWUMCJDNJF-UHFFFAOYSA-N 1 0 248.326 2.362 20 30 BEEDRO C=CCON=Cc1ccc(OCC[NH+](C)C)cc1 ZINC000835016521 587778510 /nfs/dbraw/zinc/77/85/10/587778510.db2.gz WQFVPSRVZPXQDK-UHFFFAOYSA-N 1 0 248.326 2.164 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000835083833 587781513 /nfs/dbraw/zinc/78/15/13/587781513.db2.gz FRCDZQJXSUAFNP-LOWDOPEQSA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@H](C#N)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835213086 587789513 /nfs/dbraw/zinc/78/95/13/587789513.db2.gz SOQDPHWKSRCFOF-CYBMUJFWSA-N 1 0 246.310 2.207 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@]1(C)CC1(Cl)Cl ZINC000836232231 587829280 /nfs/dbraw/zinc/82/92/80/587829280.db2.gz QDRIRCZAMLSLLW-HTQZYQBOSA-N 1 0 221.131 2.462 20 30 BEEDRO C#CCCCCCC(=O)NC(C)(C)C[NH+](C)C ZINC000837239061 587860769 /nfs/dbraw/zinc/86/07/69/587860769.db2.gz GVKZDFGKHYLZAM-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@]1(C)CCCC[C@@H]1C ZINC000837253740 587861525 /nfs/dbraw/zinc/86/15/25/587861525.db2.gz LQDXXESPUYTVGU-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#Cc1ccc(CNCc2ccn(CC)n2)cc1 ZINC000840954744 587931955 /nfs/dbraw/zinc/93/19/55/587931955.db2.gz JBOKTWXZINCVHL-UHFFFAOYSA-N 1 0 239.322 2.174 20 30 BEEDRO CCO[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841617511 587960183 /nfs/dbraw/zinc/96/01/83/587960183.db2.gz YEPMSXZJZACKCL-UHFFFAOYSA-N 1 0 206.289 2.431 20 30 BEEDRO CC(=NNC1=[NH+]CCN1)c1ccc(C(C)C)cc1 ZINC000841660814 587970039 /nfs/dbraw/zinc/97/00/39/587970039.db2.gz IBSXYAZJCNRCCL-UHFFFAOYSA-N 1 0 244.342 2.083 20 30 BEEDRO CCCCCCCCNC(=O)NC[C@H](C)C[NH3+] ZINC000841864942 587976858 /nfs/dbraw/zinc/97/68/58/587976858.db2.gz VXXPHDJZRMCGPM-GFCCVEGCSA-N 1 0 243.395 2.241 20 30 BEEDRO C=CCCCCCCCNC(=O)NC[C@H](C)[NH3+] ZINC000841903852 587981469 /nfs/dbraw/zinc/98/14/69/587981469.db2.gz BHULCGQQPMBQLI-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@H](C)CC[NH3+] ZINC000841903244 587982517 /nfs/dbraw/zinc/98/25/17/587982517.db2.gz MGSIZEBUNTYQNI-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CCCCCCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000841902414 587982902 /nfs/dbraw/zinc/98/29/02/587982902.db2.gz ARBJVMHCJMCKCJ-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO CC(=[NH+]NC12CC(C1)C2)c1ccc(N)cc1C ZINC000842545692 588039721 /nfs/dbraw/zinc/03/97/21/588039721.db2.gz KONMZSKCYZOAEJ-UHFFFAOYSA-N 1 0 229.327 2.443 20 30 BEEDRO C#CCCCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000842586982 588044313 /nfs/dbraw/zinc/04/43/13/588044313.db2.gz SWIMZHYNRURBKF-JTQLQIEISA-N 1 0 221.304 2.071 20 30 BEEDRO C=CCCO[C@@H](C)c1nc([C@H]([NH3+])C(C)C)no1 ZINC000843148657 588086943 /nfs/dbraw/zinc/08/69/43/588086943.db2.gz BWLSDFDEURZYFA-VHSXEESVSA-N 1 0 239.319 2.379 20 30 BEEDRO C=CCCO[C@H](C)c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843148658 588087571 /nfs/dbraw/zinc/08/75/71/588087571.db2.gz BWLSDFDEURZYFA-ZJUUUORDSA-N 1 0 239.319 2.379 20 30 BEEDRO C=CCC(C)(C)c1noc(C(C)(C)C[NH3+])n1 ZINC000843234337 588094586 /nfs/dbraw/zinc/09/45/86/588094586.db2.gz GSXGJCMOHZHKSM-UHFFFAOYSA-N 1 0 223.320 2.160 20 30 BEEDRO C=CCCc1noc([C@H](C)[NH2+]CCC)n1 ZINC000843237742 588095114 /nfs/dbraw/zinc/09/51/14/588095114.db2.gz FHUJEVRZAYFCHN-VIFPVBQESA-N 1 0 209.293 2.249 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2conc2C)C1 ZINC000843422012 588107285 /nfs/dbraw/zinc/10/72/85/588107285.db2.gz BCDPGWZCAUBVTN-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000843423697 588107945 /nfs/dbraw/zinc/10/79/45/588107945.db2.gz IKTHLDZOMISEGS-ZDUSSCGKSA-N 1 0 219.328 2.068 20 30 BEEDRO C#CC1CC[NH+](Cc2c(O)cccc2OC)CC1 ZINC000843427194 588108564 /nfs/dbraw/zinc/10/85/64/588108564.db2.gz VDVVTPRCFWHFSI-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436560 588192787 /nfs/dbraw/zinc/19/27/87/588192787.db2.gz HGLIREZWXJKKMK-NEPJUHHUSA-N 1 0 245.313 2.435 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436423 588193069 /nfs/dbraw/zinc/19/30/69/588193069.db2.gz HQTUMOXIPUHPMP-SNVBAGLBSA-N 1 0 214.259 2.411 20 30 BEEDRO C=C(C)CON=C1CCC[C@H]([NH+](C)C)C1 ZINC000844618528 588208608 /nfs/dbraw/zinc/20/86/08/588208608.db2.gz UGDMEVBZDNJFHQ-LBPRGKRZSA-N 1 0 210.321 2.439 20 30 BEEDRO C=C[C@@H](C)O[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000844625668 588211240 /nfs/dbraw/zinc/21/12/40/588211240.db2.gz OGCHXZCEGHAPDP-LLVKDONJSA-N 1 0 233.315 2.463 20 30 BEEDRO C=CCC(C)(C)c1noc(CC(F)(F)C[NH3+])n1 ZINC000844918765 588219341 /nfs/dbraw/zinc/21/93/41/588219341.db2.gz DBMTXJPSOYRHCM-UHFFFAOYSA-N 1 0 245.273 2.060 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845818664 588246225 /nfs/dbraw/zinc/24/62/25/588246225.db2.gz GJMQYIAGMGYBSI-XQQFMLRXSA-N 1 0 239.359 2.472 20 30 BEEDRO CC#CCCCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845819786 588246569 /nfs/dbraw/zinc/24/65/69/588246569.db2.gz SDXUKGCBYKODGZ-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C=C(C)C(C)(C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845821822 588246653 /nfs/dbraw/zinc/24/66/53/588246653.db2.gz OOLFRHVWLZFCDB-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C#CCSCC[NH2+][C@H](COC)CC(C)(C)C ZINC000845942051 588250907 /nfs/dbraw/zinc/25/09/07/588250907.db2.gz PSZCJCSTKAIHFT-LBPRGKRZSA-N 1 0 243.416 2.394 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC[S@@](C)=O)C1 ZINC000845942284 588250962 /nfs/dbraw/zinc/25/09/62/588250962.db2.gz QMEXQXRBRROCHG-LALPHHSUSA-N 1 0 229.389 2.089 20 30 BEEDRO C#CCSCC[NH2+][C@@H](COC)CC(C)(C)C ZINC000845942049 588251005 /nfs/dbraw/zinc/25/10/05/588251005.db2.gz PSZCJCSTKAIHFT-GFCCVEGCSA-N 1 0 243.416 2.394 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nonc2C)C1 ZINC000845971204 588251034 /nfs/dbraw/zinc/25/10/34/588251034.db2.gz YSDOPZRKLQIJLW-GHMZBOCLSA-N 1 0 221.304 2.212 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C2CC2)C1 ZINC000845939450 588251086 /nfs/dbraw/zinc/25/10/86/588251086.db2.gz ZLOVTWIZGQLOKY-RTXFEEFZSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000845948337 588251220 /nfs/dbraw/zinc/25/12/20/588251220.db2.gz UQBOZGXGEJYISA-NWDGAFQWSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cnccn2)C1 ZINC000845949244 588251293 /nfs/dbraw/zinc/25/12/93/588251293.db2.gz OCGNKOISFAAKOL-CHWSQXEVSA-N 1 0 231.343 2.354 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@]1(C)CC ZINC000845954087 588251453 /nfs/dbraw/zinc/25/14/53/588251453.db2.gz LZIDWGKJFFLDNF-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000845958232 588251724 /nfs/dbraw/zinc/25/17/24/588251724.db2.gz KSWXDTFSJUMDBV-OLZOCXBDSA-N 1 0 233.359 2.297 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](COC)CC(C)(C)C ZINC000845972462 588252387 /nfs/dbraw/zinc/25/23/87/588252387.db2.gz OWDICTRALQCGFR-RYUDHWBXSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC000846172606 588259311 /nfs/dbraw/zinc/25/93/11/588259311.db2.gz ZNYCSTGQTYAYLO-GJZGRUSLSA-N 1 0 234.387 2.276 20 30 BEEDRO COc1ccc(NC2CC[NH+](C)CC2)cc1C#N ZINC000846745120 588284426 /nfs/dbraw/zinc/28/44/26/588284426.db2.gz BCOVCDQMITYROP-UHFFFAOYSA-N 1 0 245.326 2.073 20 30 BEEDRO C=CC[N@@H+](C)CC1(Br)CC1 ZINC000846860271 588293631 /nfs/dbraw/zinc/29/36/31/588293631.db2.gz CARIISYVKWGDHO-UHFFFAOYSA-N 1 0 204.111 2.032 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846929998 588297062 /nfs/dbraw/zinc/29/70/62/588297062.db2.gz FFQGXQQQWUPWQY-AWEZNQCLSA-N 1 0 245.370 2.259 20 30 BEEDRO CCOC(C[N@H+](CC)[C@@H](C)CCC#N)OCC ZINC000846978311 588299906 /nfs/dbraw/zinc/29/99/06/588299906.db2.gz YPHYNXAJDVYFFE-LBPRGKRZSA-N 1 0 242.363 2.400 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCCCCCO ZINC000846996274 588300821 /nfs/dbraw/zinc/30/08/21/588300821.db2.gz WCYABFXQFOZHMM-GFCCVEGCSA-N 1 0 212.337 2.211 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000846995741 588301038 /nfs/dbraw/zinc/30/10/38/588301038.db2.gz UIMDJVXGJNOZMW-ZIAGYGMSSA-N 1 0 232.327 2.310 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000846995738 588301041 /nfs/dbraw/zinc/30/10/41/588301041.db2.gz UIMDJVXGJNOZMW-KBPBESRZSA-N 1 0 232.327 2.310 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC000847019931 588301736 /nfs/dbraw/zinc/30/17/36/588301736.db2.gz SVNPNLGIAQPZDL-MJBXVCDLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000847019115 588301831 /nfs/dbraw/zinc/30/18/31/588301831.db2.gz OUXQYLCOSLQRJE-HIFRSBDPSA-N 1 0 235.371 2.273 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000847018855 588301900 /nfs/dbraw/zinc/30/19/00/588301900.db2.gz NBBUPCDYUSUEIT-ZBFHGGJFSA-N 1 0 243.350 2.455 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000847019113 588302064 /nfs/dbraw/zinc/30/20/64/588302064.db2.gz ORUGZOOFHXBQSN-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000847023456 588303148 /nfs/dbraw/zinc/30/31/48/588303148.db2.gz MVWJCEUWFWFSPW-HNNXBMFYSA-N 1 0 245.370 2.399 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000847025276 588303713 /nfs/dbraw/zinc/30/37/13/588303713.db2.gz NKDVONMMWPKSSJ-CQSZACIVSA-N 1 0 223.360 2.274 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000847033645 588304414 /nfs/dbraw/zinc/30/44/14/588304414.db2.gz FTYIELJDSHNLSI-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000847032977 588304437 /nfs/dbraw/zinc/30/44/37/588304437.db2.gz ZMCBCWQSSWITDL-IUODEOHRSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CCCC[NH2+][C@H](CC(=O)OC(C)C)C(C)C ZINC000847074100 588306025 /nfs/dbraw/zinc/30/60/25/588306025.db2.gz KFCPGVLUUAHRMI-CYBMUJFWSA-N 1 0 239.359 2.356 20 30 BEEDRO C#CCC[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000847105942 588306411 /nfs/dbraw/zinc/30/64/11/588306411.db2.gz PCRJTNZVVWZWCP-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCCCCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847822401 588333700 /nfs/dbraw/zinc/33/37/00/588333700.db2.gz BKXPOJMMZSWSLA-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO CC#CCCCC(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847821624 588334078 /nfs/dbraw/zinc/33/40/78/588334078.db2.gz JRYRBEYIRSRXEX-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C1C2CC1(NN=C1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000848413798 588381136 /nfs/dbraw/zinc/38/11/36/588381136.db2.gz SWUDIRIHJFRLFJ-QRMWWUJWSA-N 1 0 233.359 2.133 20 30 BEEDRO C[C@H](C#N)OCCOc1cc[nH+]c2c1CCCC2 ZINC000848524179 588392339 /nfs/dbraw/zinc/39/23/39/588392339.db2.gz CLJKXRCXRUMICO-LLVKDONJSA-N 1 0 246.310 2.268 20 30 BEEDRO C#C[C@@H]1CCCN(c2cc[nH+]c(CC)c2)C1 ZINC000848751914 588411540 /nfs/dbraw/zinc/41/15/40/588411540.db2.gz WKZQILRDOYIYHE-GFCCVEGCSA-N 1 0 214.312 2.494 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000848923260 588421092 /nfs/dbraw/zinc/42/10/92/588421092.db2.gz CAIHKOIFMYEFJN-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccoc2C)C1 ZINC000848923419 588421472 /nfs/dbraw/zinc/42/14/72/588421472.db2.gz DNZAGRVPCYDTSF-GFCCVEGCSA-N 1 0 203.285 2.433 20 30 BEEDRO CC(C)c1ccc(CCNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000848981609 588423642 /nfs/dbraw/zinc/42/36/42/588423642.db2.gz DCVFIJYAYUNWMS-GFCCVEGCSA-N 1 0 245.370 2.290 20 30 BEEDRO CN(C)C(=[NH+]CCCCc1ccccc1)N(C)C ZINC000848983277 588424441 /nfs/dbraw/zinc/42/44/41/588424441.db2.gz IWFKRCQGYJXBOE-UHFFFAOYSA-N 1 0 247.386 2.489 20 30 BEEDRO Cc1ccc(CCCNC2=[NH+]C[C@@H](C)N2)c(C)c1 ZINC000848982775 588424479 /nfs/dbraw/zinc/42/44/79/588424479.db2.gz PSWRMNRFEQMFJL-CYBMUJFWSA-N 1 0 245.370 2.173 20 30 BEEDRO C[C@@H]1C[C@@H]1c1ccc(C[NH+]=C(N(C)C)N(C)C)o1 ZINC000848986076 588425605 /nfs/dbraw/zinc/42/56/05/588425605.db2.gz WEZLFWOAGMSWJP-PWSUYJOCSA-N 1 0 249.358 2.382 20 30 BEEDRO N#CCCCCNC(=[NH2+])NC1CCCCC1 ZINC000849003149 588431218 /nfs/dbraw/zinc/43/12/18/588431218.db2.gz MPKVYDOSTYJZBJ-UHFFFAOYSA-N 1 0 222.336 2.127 20 30 BEEDRO C[C@@H](C#N)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849003758 588431518 /nfs/dbraw/zinc/43/15/18/588431518.db2.gz DWHRPSVRWXWWNR-ZETCQYMHSA-N 1 0 238.241 2.061 20 30 BEEDRO CCNC(N[C@@H]1C[C@]1(C)c1ccccc1)=[NH+]CC ZINC000849010098 588434751 /nfs/dbraw/zinc/43/47/51/588434751.db2.gz BHUNDYYQBMLXOI-UKRRQHHQSA-N 1 0 245.370 2.292 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(C1CC1)C1CC1 ZINC000849010959 588434948 /nfs/dbraw/zinc/43/49/48/588434948.db2.gz DVHZFUJBFLZERD-UHFFFAOYSA-N 1 0 221.348 2.113 20 30 BEEDRO C=CCCCCNC(=[NH2+])NCC1CCC1 ZINC000849019813 588438641 /nfs/dbraw/zinc/43/86/41/588438641.db2.gz QDPNRONBVGPUJX-UHFFFAOYSA-N 1 0 209.337 2.257 20 30 BEEDRO C[NH+]=C(NCCC=C(C)C)NCc1ccco1 ZINC000849021446 588438902 /nfs/dbraw/zinc/43/89/02/588438902.db2.gz LNUPHDVLEFMVRU-UHFFFAOYSA-N 1 0 235.331 2.301 20 30 BEEDRO CN1CCC[NH+]=C1NCCCc1ccccc1F ZINC000849025176 588440187 /nfs/dbraw/zinc/44/01/87/588440187.db2.gz RQMJNIBKQIXNKH-UHFFFAOYSA-N 1 0 249.333 2.039 20 30 BEEDRO C=CCCCCCCNC(=[NH2+])N1CCC1 ZINC000849027538 588441282 /nfs/dbraw/zinc/44/12/82/588441282.db2.gz GJFUIGOIQGAKEU-UHFFFAOYSA-N 1 0 209.337 2.353 20 30 BEEDRO CC(C)CNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028954 588441828 /nfs/dbraw/zinc/44/18/28/588441828.db2.gz RAALTIARCHCIJQ-UHFFFAOYSA-N 1 0 224.352 2.086 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(OCC)CCCC1 ZINC000849031681 588443158 /nfs/dbraw/zinc/44/31/58/588443158.db2.gz YZQZPECAKCSUEV-UHFFFAOYSA-N 1 0 239.363 2.026 20 30 BEEDRO C=CCNC(=[NH2+])NCC[C@@H]1CCc2ccccc21 ZINC000849034497 588444100 /nfs/dbraw/zinc/44/41/00/588444100.db2.gz WNMPIUHFZSZYAK-ZDUSSCGKSA-N 1 0 243.354 2.406 20 30 BEEDRO CNC(NC[C@@H]1CCC[C@@H]1c1ccccc1)=[NH+]C ZINC000849034092 588444102 /nfs/dbraw/zinc/44/41/02/588444102.db2.gz KZKUMPPNQGLENW-UONOGXRCSA-N 1 0 245.370 2.365 20 30 BEEDRO C[NH+]=C(NCC1CCCCCC1)NC1CC1 ZINC000849037320 588445865 /nfs/dbraw/zinc/44/58/65/588445865.db2.gz ZRMTVSZIDDINCN-UHFFFAOYSA-N 1 0 223.364 2.284 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(CC=C)CCCC1 ZINC000849038887 588446924 /nfs/dbraw/zinc/44/69/24/588446924.db2.gz ZUAAMNFHTDIMFT-UHFFFAOYSA-N 1 0 221.348 2.423 20 30 BEEDRO CCNC(NC[C@@H]1CCC[C@@H]1C1CC1)=[NH+]CC ZINC000849041115 588447993 /nfs/dbraw/zinc/44/79/93/588447993.db2.gz KPISIGBOHGFCQU-QWHCGFSZSA-N 1 0 237.391 2.388 20 30 BEEDRO C[C@@H](C[NH+]=C(N(C)C)N(C)C)CC(F)(F)F ZINC000849042410 588448271 /nfs/dbraw/zinc/44/82/71/588448271.db2.gz MHOONHSNKUBJDB-MRVPVSSYSA-N 1 0 239.285 2.054 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)CC(F)(F)F ZINC000849042392 588448285 /nfs/dbraw/zinc/44/82/85/588448285.db2.gz LURSDVVDXXEYAP-MRVPVSSYSA-N 1 0 237.269 2.265 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N(CC)CC)c1ccccc1 ZINC000849045091 588449371 /nfs/dbraw/zinc/44/93/71/588449371.db2.gz CMQMCPJBQXHGKE-ZDUSSCGKSA-N 1 0 229.327 2.227 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCC(C)C)c1ccccc1 ZINC000849045026 588449418 /nfs/dbraw/zinc/44/94/18/588449418.db2.gz ADPWJHBRGDABTB-ZDUSSCGKSA-N 1 0 229.327 2.131 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000849045070 588449494 /nfs/dbraw/zinc/44/94/94/588449494.db2.gz BXBWVXAPRLADLB-CHWSQXEVSA-N 1 0 229.327 2.090 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC1CCCC1)c1ccccc1 ZINC000849045308 588449575 /nfs/dbraw/zinc/44/95/75/588449575.db2.gz IPLALEMKLNHDSJ-CQSZACIVSA-N 1 0 241.338 2.417 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849045383 588449625 /nfs/dbraw/zinc/44/96/25/588449625.db2.gz XQDFOPHARRTZIV-UHFFFAOYSA-N 1 0 244.342 2.167 20 30 BEEDRO CCNC(NCC1CCC(F)CC1)=[NH+]CC ZINC000849046534 588450169 /nfs/dbraw/zinc/45/01/69/588450169.db2.gz VEJBYIBIDYMWST-UHFFFAOYSA-N 1 0 229.343 2.090 20 30 BEEDRO CCNC(NCc1cccc(CC)c1)=[NH+]CC ZINC000849049151 588451333 /nfs/dbraw/zinc/45/13/33/588451333.db2.gz NUVIJQSQROLEHC-UHFFFAOYSA-N 1 0 233.359 2.324 20 30 BEEDRO C=CCNC(=[NH2+])NCCc1ccc(C=C)cc1 ZINC000849085288 588452436 /nfs/dbraw/zinc/45/24/36/588452436.db2.gz DKUWWGJUOGULRP-UHFFFAOYSA-N 1 0 229.327 2.172 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000849101309 588452532 /nfs/dbraw/zinc/45/25/32/588452532.db2.gz KOIDMSKDXKQMRY-UHFFFAOYSA-N 1 0 239.706 2.384 20 30 BEEDRO C=CCNC(=[NH2+])NCCc1ccc2[nH]ccc2c1 ZINC000849107806 588452617 /nfs/dbraw/zinc/45/26/17/588452617.db2.gz VLODNDXCGUQCEO-UHFFFAOYSA-N 1 0 242.326 2.010 20 30 BEEDRO CNC(NC[C@]1(C)CC[C@H](C)C1(C)C)=[NH+]C ZINC000849214915 588462075 /nfs/dbraw/zinc/46/20/75/588462075.db2.gz CBFRHLDNUAFSRC-GWCFXTLKSA-N 1 0 225.380 2.244 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CC[C@@H](C)C2)nn1 ZINC000850266830 588533957 /nfs/dbraw/zinc/53/39/57/588533957.db2.gz JUSBOCCDMOSSKN-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO COc1cncc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000850324118 588536864 /nfs/dbraw/zinc/53/68/64/588536864.db2.gz NGPZZBJZVUXWHP-UHFFFAOYSA-N 1 0 233.315 2.120 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000850377373 588541996 /nfs/dbraw/zinc/54/19/96/588541996.db2.gz CMJCAFMOUMSNKE-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850419417 588545106 /nfs/dbraw/zinc/54/51/06/588545106.db2.gz AFQFDTOKZWQNBU-NSHDSACASA-N 1 0 215.296 2.295 20 30 BEEDRO C#CCCC[NH2+]C1CC(CF)(CF)C1 ZINC000850439306 588546788 /nfs/dbraw/zinc/54/67/88/588546788.db2.gz NDIRREIZAFXXEX-UHFFFAOYSA-N 1 0 201.260 2.077 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000850459924 588548045 /nfs/dbraw/zinc/54/80/45/588548045.db2.gz KEGANIKTQUKGEK-ZIAGYGMSSA-N 1 0 221.344 2.361 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850471761 588548829 /nfs/dbraw/zinc/54/88/29/588548829.db2.gz UIVDKKWZSTYILZ-QLFBSQMISA-N 1 0 248.414 2.356 20 30 BEEDRO C=CCC[C@H]([NH2+]CCN(C)OC)c1ccco1 ZINC000850479273 588550511 /nfs/dbraw/zinc/55/05/11/588550511.db2.gz PAWYIEFXWCYVSI-LBPRGKRZSA-N 1 0 238.331 2.370 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ncc[nH]1 ZINC000850489395 588551999 /nfs/dbraw/zinc/55/19/99/588551999.db2.gz SWDFHIRKJIBCPT-NSHDSACASA-N 1 0 240.310 2.175 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2SCCS2)C1 ZINC000850561870 588560897 /nfs/dbraw/zinc/56/08/97/588560897.db2.gz UZVSRHSZNDNFDO-VHSXEESVSA-N 1 0 242.413 2.464 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC2SCCS2)C1 ZINC000850568654 588561367 /nfs/dbraw/zinc/56/13/67/588561367.db2.gz DXFULTLXJXXYHC-VHSXEESVSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CCC1(C)C ZINC000850826483 588569439 /nfs/dbraw/zinc/56/94/39/588569439.db2.gz MTZWYJXDWKUYGL-CHWSQXEVSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCOCC[N@@H+](CC=C)Cc1cccs1 ZINC000851711712 588615284 /nfs/dbraw/zinc/61/52/84/588615284.db2.gz FANWGCJOGJIEGD-UHFFFAOYSA-N 1 0 235.352 2.386 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1cccs1 ZINC000851715169 588615948 /nfs/dbraw/zinc/61/59/48/588615948.db2.gz YMWIPQBJFNJEAU-UHFFFAOYSA-N 1 0 223.341 2.220 20 30 BEEDRO C[N@H+](CCOC(F)F)Cc1ccc(C#N)cc1 ZINC000851715599 588616256 /nfs/dbraw/zinc/61/62/56/588616256.db2.gz ZLAKOAOLUFPTFM-UHFFFAOYSA-N 1 0 240.253 2.229 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)c1ccccn1 ZINC000851721035 588617366 /nfs/dbraw/zinc/61/73/66/588617366.db2.gz ZJKLFULQRKURAZ-ZDUSSCGKSA-N 1 0 220.316 2.013 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1cccs1 ZINC000851727937 588618740 /nfs/dbraw/zinc/61/87/40/588618740.db2.gz BNJUXWQJRLXDOW-LLVKDONJSA-N 1 0 223.341 2.391 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)nc(C)n1)C(C)C ZINC000851730635 588618851 /nfs/dbraw/zinc/61/88/51/588618851.db2.gz FVMKNXWJPRGPRJ-UHFFFAOYSA-N 1 0 219.332 2.490 20 30 BEEDRO C=CC[N@@H+](CCO[C@H]1CC1(F)F)C(C)C ZINC000851730881 588619335 /nfs/dbraw/zinc/61/93/35/588619335.db2.gz HYFVBMDVYDPHSA-JTQLQIEISA-N 1 0 219.275 2.307 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H]1CC(C)C ZINC000851742380 588621209 /nfs/dbraw/zinc/62/12/09/588621209.db2.gz SKAAWZCMQVTNSO-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO CO[C@@H](C[NH+]1CCC(C#N)CC1)C1CCC1 ZINC000851740331 588621254 /nfs/dbraw/zinc/62/12/54/588621254.db2.gz OKIGZHDHYMIBPJ-ZDUSSCGKSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000851763078 588624522 /nfs/dbraw/zinc/62/45/22/588624522.db2.gz IKIWBRNAPBUASQ-CYBMUJFWSA-N 1 0 247.313 2.265 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](CC)CC1 ZINC000851776103 588626696 /nfs/dbraw/zinc/62/66/96/588626696.db2.gz GSUYGSRYSWNPQL-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[NH+]1CCC(C(C)(C)C)CC1 ZINC000851775322 588626583 /nfs/dbraw/zinc/62/65/83/588626583.db2.gz POJHRUCGHPRWLG-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCCC[N@@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851777977 588626721 /nfs/dbraw/zinc/62/67/21/588626721.db2.gz BGVBUDPLGBTFDN-LBPRGKRZSA-N 1 0 227.348 2.426 20 30 BEEDRO C#CCN(CC)Cc1cnc2ccccc2n1 ZINC000851800034 588630097 /nfs/dbraw/zinc/63/00/97/588630097.db2.gz WJFAHPSDZQWPPF-UHFFFAOYSA-N 1 0 225.295 2.085 20 30 BEEDRO C#CCOCC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000851806452 588631070 /nfs/dbraw/zinc/63/10/70/588631070.db2.gz PFOIZILSCMMSKA-UHFFFAOYSA-N 1 0 249.276 2.301 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000851807933 588631799 /nfs/dbraw/zinc/63/17/99/588631799.db2.gz CNXURQGIYMSVTB-CQSZACIVSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000851841620 588634228 /nfs/dbraw/zinc/63/42/28/588634228.db2.gz LLLVPFFCRUUBGA-GFCCVEGCSA-N 1 0 233.311 2.035 20 30 BEEDRO C[C@H]1COCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000851865822 588636989 /nfs/dbraw/zinc/63/69/89/588636989.db2.gz IQDPHEHVXLJEHR-CYBMUJFWSA-N 1 0 244.338 2.069 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H](COC)OC)c1ccccc1 ZINC000851902743 588642017 /nfs/dbraw/zinc/64/20/17/588642017.db2.gz SMTLLDHLSQZSJI-GJZGRUSLSA-N 1 0 247.338 2.002 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH+]2CCC(CC#N)CC2)C1 ZINC000851918763 588643519 /nfs/dbraw/zinc/64/35/19/588643519.db2.gz CZXSNMCCIRLEOC-OLZOCXBDSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000851935417 588645960 /nfs/dbraw/zinc/64/59/60/588645960.db2.gz UXLAKFGZLKFBBI-ZFWWWQNUSA-N 1 0 244.338 2.114 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OC)C1CCCC1)C1CC1 ZINC000851938426 588646369 /nfs/dbraw/zinc/64/63/69/588646369.db2.gz PICAGXQNXPPPOF-CQSZACIVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCO1 ZINC000851949816 588647010 /nfs/dbraw/zinc/64/70/10/588647010.db2.gz JTGPNEBPRDINGQ-ZIAGYGMSSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@@H]([NH2+]CCC=C(C)C)[C@H]1CCCO1 ZINC000851949163 588647041 /nfs/dbraw/zinc/64/70/41/588647041.db2.gz BCVNTENMNUSTAA-CHWSQXEVSA-N 1 0 207.317 2.113 20 30 BEEDRO C#CCN(C)Cc1nsc2ccccc21 ZINC000851977873 588650520 /nfs/dbraw/zinc/65/05/20/588650520.db2.gz HSPIAFMODBYUIS-UHFFFAOYSA-N 1 0 216.309 2.361 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](OC)C1CCCCC1 ZINC000851979103 588651196 /nfs/dbraw/zinc/65/11/96/588651196.db2.gz XFKNGRJRVXSJFB-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cnn(C(C)(C)C)c1 ZINC000851986094 588651710 /nfs/dbraw/zinc/65/17/10/588651710.db2.gz BFFFFGZRQAKIRN-UHFFFAOYSA-N 1 0 233.359 2.482 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOCc1ccccc1 ZINC000851988876 588652676 /nfs/dbraw/zinc/65/26/76/588652676.db2.gz DAJUJMZRGZUAEE-ZDUSSCGKSA-N 1 0 217.312 2.157 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000852014045 588655377 /nfs/dbraw/zinc/65/53/77/588655377.db2.gz ARXJVEWEZKNTRH-UHFFFAOYSA-N 1 0 247.313 2.142 20 30 BEEDRO C#CCOCC[NH+](C1CCC1)C1CCC1 ZINC000852077947 588660132 /nfs/dbraw/zinc/66/01/32/588660132.db2.gz HNQLDQBOZDORAC-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000852084258 588660782 /nfs/dbraw/zinc/66/07/82/588660782.db2.gz RRWQNVVXVDESSO-ZDUSSCGKSA-N 1 0 214.312 2.284 20 30 BEEDRO CO[C@@H]1CC[C@H]([N@H+](C)CC(C)(C)C#N)C1 ZINC000852088545 588660878 /nfs/dbraw/zinc/66/08/78/588660878.db2.gz KRXKIQSFALGTLO-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1nc2ccccc2[nH]1 ZINC000852098443 588662347 /nfs/dbraw/zinc/66/23/47/588662347.db2.gz NKNLQFGSLTVDAR-CQSZACIVSA-N 1 0 227.311 2.454 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)OCCCC ZINC000852098873 588662519 /nfs/dbraw/zinc/66/25/19/588662519.db2.gz YEHWQOJLPKJOME-ZDUSSCGKSA-N 1 0 225.332 2.111 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000852102358 588663204 /nfs/dbraw/zinc/66/32/04/588663204.db2.gz WXYUJJHKZAKVHW-JKSUJKDBSA-N 1 0 245.366 2.372 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000852101357 588663251 /nfs/dbraw/zinc/66/32/51/588663251.db2.gz DFXWQRKYWDJRHZ-HUUCEWRRSA-N 1 0 231.339 2.420 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000852150159 588667619 /nfs/dbraw/zinc/66/76/19/588667619.db2.gz QYRBJZUCBWSERY-CYBMUJFWSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000852184448 588670516 /nfs/dbraw/zinc/67/05/16/588670516.db2.gz LJYDYXNBPIOWBA-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000852206943 588671617 /nfs/dbraw/zinc/67/16/17/588671617.db2.gz VVXPVENWWZOQMZ-BFHYXJOUSA-N 1 0 221.344 2.025 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000852212813 588672668 /nfs/dbraw/zinc/67/26/68/588672668.db2.gz DUPFLYIFIFVATM-CQSZACIVSA-N 1 0 243.350 2.298 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000852217064 588673897 /nfs/dbraw/zinc/67/38/97/588673897.db2.gz SZVHMOQYFBKZEV-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C1CC1 ZINC000852302450 588677646 /nfs/dbraw/zinc/67/76/46/588677646.db2.gz BJWJWAIHTAEMAS-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000852410091 588680580 /nfs/dbraw/zinc/68/05/80/588680580.db2.gz HRQQVVZWVSFCGL-DGCLKSJQSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(Cl)CN1CC2(CCC2)OC[C@H]1C ZINC000852444101 588682902 /nfs/dbraw/zinc/68/29/02/588682902.db2.gz NWEUFPAIMLOPHZ-SNVBAGLBSA-N 1 0 215.724 2.382 20 30 BEEDRO C=CC[N@@H+](CCC(=O)N1CCCC1)C(C)(C)C ZINC000852554398 588689580 /nfs/dbraw/zinc/68/95/80/588689580.db2.gz LKJQQOZYPWKZAL-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1CCOC1=O)C(C)(C)C ZINC000852554503 588689677 /nfs/dbraw/zinc/68/96/77/588689677.db2.gz PAAKNERZKKPGPO-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000852554815 588689790 /nfs/dbraw/zinc/68/97/90/588689790.db2.gz CZCWLASQABOTDA-GJZGRUSLSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@H](O)[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000852559518 588690209 /nfs/dbraw/zinc/69/02/09/588690209.db2.gz JEQRHMFCIGRZFW-IINYFYTJSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CCC1([NH2+]Cc2cnon2)CCCC1 ZINC000852588781 588692446 /nfs/dbraw/zinc/69/24/46/588692446.db2.gz ZXLCEPIUZNESGR-UHFFFAOYSA-N 1 0 207.277 2.048 20 30 BEEDRO C#CCC[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852637470 588693464 /nfs/dbraw/zinc/69/34/64/588693464.db2.gz YVWIGHHKMLLKEY-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000852652112 588694078 /nfs/dbraw/zinc/69/40/78/588694078.db2.gz YXSRNSYYPNFUNB-PNESKVBLSA-N 1 0 227.323 2.143 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1=CCCC1 ZINC000852750589 588696937 /nfs/dbraw/zinc/69/69/37/588696937.db2.gz ZKZUIUBMEIBTLI-UHFFFAOYSA-N 1 0 207.317 2.068 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000852749981 588700082 /nfs/dbraw/zinc/70/00/82/588700082.db2.gz KDKJPNUZYVWKJE-KFWWJZLASA-N 1 0 235.371 2.394 20 30 BEEDRO C#CCCC[NH2+]C1(COC)CCCCC1 ZINC000852773350 588701495 /nfs/dbraw/zinc/70/14/95/588701495.db2.gz WQQMUWWAHJMVEF-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO CCCCCCCC[NH2+]Cc1cn(C)nn1 ZINC000117775533 589124523 /nfs/dbraw/zinc/12/45/23/589124523.db2.gz ZFBQHVDWDMALOX-UHFFFAOYSA-N 1 0 224.352 2.265 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000861644356 589172955 /nfs/dbraw/zinc/17/29/55/589172955.db2.gz DBESJWGPXICAOZ-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCNC(=O)N1CC[C@@H]([NH3+])[C@H]1C ZINC000861655522 589173348 /nfs/dbraw/zinc/17/33/48/589173348.db2.gz RIIDXBYMEYKZRD-VXGBXAGGSA-N 1 0 241.379 2.088 20 30 BEEDRO CCCCCCCNC(=O)NC(C)(C)CC[NH3+] ZINC000861655272 589173352 /nfs/dbraw/zinc/17/33/52/589173352.db2.gz IXTHGNOHJNHWAG-UHFFFAOYSA-N 1 0 243.395 2.383 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)[C@@H]1CCCO1 ZINC000862332113 589201081 /nfs/dbraw/zinc/20/10/81/589201081.db2.gz RRPNRPRTFSOKCH-DLOVCJGASA-N 1 0 243.297 2.191 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000862362716 589204038 /nfs/dbraw/zinc/20/40/38/589204038.db2.gz DKGZYIQHLHSJMZ-CHWSQXEVSA-N 1 0 222.376 2.107 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCO)[C@@H](C)CC)cc1 ZINC000862387294 589207435 /nfs/dbraw/zinc/20/74/35/589207435.db2.gz JMQXYOFKQQKGPD-ZDUSSCGKSA-N 1 0 231.339 2.261 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000862399996 589209136 /nfs/dbraw/zinc/20/91/36/589209136.db2.gz JWTWSRDXWMMWMF-ZDUSSCGKSA-N 1 0 231.343 2.262 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnc(F)c2C)C1 ZINC000862401191 589209185 /nfs/dbraw/zinc/20/91/85/589209185.db2.gz ATOUOGCJABEIOH-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO C[C@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862439959 589212936 /nfs/dbraw/zinc/21/29/36/589212936.db2.gz CLNXHOCAJIDGJM-BNOWGMLFSA-N 1 0 242.322 2.429 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000862442299 589213509 /nfs/dbraw/zinc/21/35/09/589213509.db2.gz BJZZQOXRMLJPNO-LBPRGKRZSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2occc2C)C1 ZINC000862444589 589213964 /nfs/dbraw/zinc/21/39/64/589213964.db2.gz CSBHXBSXRCMFJQ-LBPRGKRZSA-N 1 0 203.285 2.433 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(OCC)n2)C1 ZINC000862444766 589214328 /nfs/dbraw/zinc/21/43/28/589214328.db2.gz GUDKTXSZRDSXOA-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000862444800 589214510 /nfs/dbraw/zinc/21/45/10/589214510.db2.gz HEGYRJAFHSMSCF-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cncc(OCC)c2)C1 ZINC000862447985 589215302 /nfs/dbraw/zinc/21/53/02/589215302.db2.gz TZAGGDBTNKUSHQ-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CC1CC1 ZINC000862547588 589220189 /nfs/dbraw/zinc/22/01/89/589220189.db2.gz KFHVLBAARUACEW-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)Cc1ccoc1 ZINC000862548194 589220202 /nfs/dbraw/zinc/22/02/02/589220202.db2.gz AGGYEJUJTKGXHP-GXTWGEPZSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CC(CC)CC ZINC000862547628 589220240 /nfs/dbraw/zinc/22/02/40/589220240.db2.gz LBUTYXZIWYRBMD-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CC(C)C ZINC000862548170 589220241 /nfs/dbraw/zinc/22/02/41/589220241.db2.gz ZFIURRHNRAMTGS-CHWSQXEVSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)C1CCC1 ZINC000862549346 589220421 /nfs/dbraw/zinc/22/04/21/589220421.db2.gz ZZVOXGQZBJOKNC-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](CC)CCC=C ZINC000862549132 589220454 /nfs/dbraw/zinc/22/04/54/589220454.db2.gz VSPZLDFCKMJGHT-QWHCGFSZSA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CCC(F)(F)F ZINC000862548920 589220478 /nfs/dbraw/zinc/22/04/78/589220478.db2.gz QVFTTXBAYCDKSX-NXEZZACHSA-N 1 0 237.265 2.345 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000862549266 589220490 /nfs/dbraw/zinc/22/04/90/589220490.db2.gz YKNLTQLQWMGXIC-MGPQQGTHSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@H](C)CC=C ZINC000862549089 589220494 /nfs/dbraw/zinc/22/04/94/589220494.db2.gz VDBFZPMWJWGDSV-JHJVBQTASA-N 1 0 209.333 2.215 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000862548620 589220509 /nfs/dbraw/zinc/22/05/09/589220509.db2.gz JLKRYTJMPXMCHO-GOEBONIOSA-N 1 0 245.366 2.493 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](COC)CC(C)(C)C ZINC000862550143 589220699 /nfs/dbraw/zinc/22/06/99/589220699.db2.gz IXLZVYSMWNTJTN-CHWSQXEVSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CCC(C(F)F)CC1 ZINC000862549761 589220853 /nfs/dbraw/zinc/22/08/53/589220853.db2.gz DRDHNUVPTYPDAZ-MCIGGMRASA-N 1 0 245.313 2.438 20 30 BEEDRO CCC(=[NH+]NC[C@H](C)C#N)c1ccc(N)cc1 ZINC000863103909 589255922 /nfs/dbraw/zinc/25/59/22/589255922.db2.gz NULVOXHDRDZIAN-SNVBAGLBSA-N 1 0 230.315 2.132 20 30 BEEDRO CC([NH2+]Nc1nccn1C)=C1CC(F)(F)C1 ZINC000863109472 589257324 /nfs/dbraw/zinc/25/73/24/589257324.db2.gz PROZYPKIZYEKAJ-UHFFFAOYSA-N 1 0 228.246 2.253 20 30 BEEDRO C#CCO[NH+]=C(CC)c1ccc(N)cc1 ZINC000863111521 589257887 /nfs/dbraw/zinc/25/78/87/589257887.db2.gz CLNLQQILXRVNFZ-UHFFFAOYSA-N 1 0 202.257 2.033 20 30 BEEDRO C=CCN[NH+]=C(CC)c1ccc(N)cc1 ZINC000863112827 589258112 /nfs/dbraw/zinc/25/81/12/589258112.db2.gz ZNPGZMGYBRUMJV-UHFFFAOYSA-N 1 0 203.289 2.159 20 30 BEEDRO Cc1c[nH+]ccc1NN=Cc1cnc(C2CC2)o1 ZINC000863157875 589263915 /nfs/dbraw/zinc/26/39/15/589263915.db2.gz JEZROBZGBUTRGX-UHFFFAOYSA-N 1 0 242.282 2.123 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@H](CC)CC2=O)CC1 ZINC000119310714 589264337 /nfs/dbraw/zinc/26/43/37/589264337.db2.gz DOQKYVUMULPFDB-CYBMUJFWSA-N 1 0 236.359 2.100 20 30 BEEDRO Cc1cc(NN=Cc2cncn2C(C)C)cc[nH+]1 ZINC000863161184 589265113 /nfs/dbraw/zinc/26/51/13/589265113.db2.gz YLXVQVLMTCQAJO-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO OCCC[C@@H]1CCCCC1=[NH+]n1cccn1 ZINC000863163714 589266247 /nfs/dbraw/zinc/26/62/47/589266247.db2.gz MWWQNOTUHMHBHF-NSHDSACASA-N 1 0 221.304 2.050 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1COCCN1 ZINC000863544670 589297667 /nfs/dbraw/zinc/29/76/67/589297667.db2.gz BDFWNZMOFIYYAP-KBPBESRZSA-N 1 0 240.391 2.089 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)c1ccccn1 ZINC000863562413 589299483 /nfs/dbraw/zinc/29/94/83/589299483.db2.gz JNJNNJNIFPLSGB-CYBMUJFWSA-N 1 0 234.343 2.307 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864464503 589370427 /nfs/dbraw/zinc/37/04/27/589370427.db2.gz WVEVSVSNOXNMBV-NEPJUHHUSA-N 1 0 221.348 2.045 20 30 BEEDRO C=C(CC)CNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864465981 589370982 /nfs/dbraw/zinc/37/09/82/589370982.db2.gz FKKDYHZBHMUTHL-UHFFFAOYSA-N 1 0 247.342 2.124 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC(CC)CC)C(C)(C)C ZINC000864468827 589372398 /nfs/dbraw/zinc/37/23/98/589372398.db2.gz NOTFWLHMQKXKRF-LLVKDONJSA-N 1 0 223.364 2.337 20 30 BEEDRO C=C(CNC(=[NH2+])N[C@H]1C[C@H]1C)c1ccccc1 ZINC000864468059 589372035 /nfs/dbraw/zinc/37/20/35/589372035.db2.gz FAZNPZZZPVRNAF-MFKMUULPSA-N 1 0 229.327 2.222 20 30 BEEDRO CC(C)[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865400932 589432459 /nfs/dbraw/zinc/43/24/59/589432459.db2.gz DNPCIFWNDJJXMF-UHFFFAOYSA-N 1 0 217.316 2.122 20 30 BEEDRO CSCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865401564 589433143 /nfs/dbraw/zinc/43/31/43/589433143.db2.gz CMLZTYYWQKGOQS-UHFFFAOYSA-N 1 0 249.383 2.077 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865415259 589434142 /nfs/dbraw/zinc/43/41/42/589434142.db2.gz YIUNNSIGSMVHAE-WCQYABFASA-N 1 0 243.354 2.370 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(C2CC2)cn1 ZINC000865589734 589449135 /nfs/dbraw/zinc/44/91/35/589449135.db2.gz ODSSVJNZGQTCJB-KGLIPLIRSA-N 1 0 247.342 2.041 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1csc(C)c1C ZINC000865646354 589454115 /nfs/dbraw/zinc/45/41/15/589454115.db2.gz NDNMQXXQSIZAOW-ZDUSSCGKSA-N 1 0 237.368 2.493 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000865734412 589459493 /nfs/dbraw/zinc/45/94/93/589459493.db2.gz XIRHJFOZPUSYFX-JLIMDTESSA-N 1 0 222.313 2.135 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000120885403 589475309 /nfs/dbraw/zinc/47/53/09/589475309.db2.gz FOYDDPRGXNHROQ-UHFFFAOYSA-N 1 0 248.370 2.435 20 30 BEEDRO Cc1cc(N[C@H]2Cc3ccc(C#N)cc3C2)cc[nH+]1 ZINC000866258860 589483427 /nfs/dbraw/zinc/48/34/27/589483427.db2.gz BZGSPUSHHCJWLS-INIZCTEOSA-N 1 0 249.317 2.263 20 30 BEEDRO Cc1c[nH+]ccc1N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000866259963 589483466 /nfs/dbraw/zinc/48/34/66/589483466.db2.gz RFYQDTIPFUFHQD-HNNXBMFYSA-N 1 0 249.317 2.263 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866368325 589488515 /nfs/dbraw/zinc/48/85/15/589488515.db2.gz ABAAFLRXGHQYMI-ZFWWWQNUSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866386806 589489275 /nfs/dbraw/zinc/48/92/75/589489275.db2.gz LNTSRAPXXOMBLL-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866392172 589489681 /nfs/dbraw/zinc/48/96/81/589489681.db2.gz YWTFAECZLWEJPR-TZMCWYRMSA-N 1 0 219.328 2.063 20 30 BEEDRO COC(C)(C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000866504359 589497604 /nfs/dbraw/zinc/49/76/04/589497604.db2.gz DXVUTCRUYNYEFL-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCCC[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000866591998 589500551 /nfs/dbraw/zinc/50/05/51/589500551.db2.gz QRDKGJWFBAKAJY-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO C=CCN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC000866701367 589513630 /nfs/dbraw/zinc/51/36/30/589513630.db2.gz OQYSTXZZYUZECL-GFCCVEGCSA-N 1 0 202.301 2.471 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000123103260 589662249 /nfs/dbraw/zinc/66/22/49/589662249.db2.gz YZVOOGFMSHIRGN-QWHCGFSZSA-N 1 0 229.364 2.038 20 30 BEEDRO CC[C@H](C[NH+](C)C)OC(=O)c1cccc(C#N)c1 ZINC000870552119 589675095 /nfs/dbraw/zinc/67/50/95/589675095.db2.gz NYTXDOOHBUEXGG-CYBMUJFWSA-N 1 0 246.310 2.055 20 30 BEEDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)CCCCC#N ZINC000870565638 589676048 /nfs/dbraw/zinc/67/60/48/589676048.db2.gz VTSUNUCHZNNVMZ-GFCCVEGCSA-N 1 0 240.347 2.200 20 30 BEEDRO CC(C)[C@H](C[NH+](C)C)OC(=O)CC(C)(C)C#N ZINC000870567071 589676402 /nfs/dbraw/zinc/67/64/02/589676402.db2.gz LRIYQSWUZCDBTD-NSHDSACASA-N 1 0 240.347 2.056 20 30 BEEDRO C=CCCCC(=O)O[C@H](C[NH+](C)C)C(C)C ZINC000870569827 589676868 /nfs/dbraw/zinc/67/68/68/589676868.db2.gz XWTINGCIWAXNEO-GFCCVEGCSA-N 1 0 227.348 2.472 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000123206910 589678450 /nfs/dbraw/zinc/67/84/50/589678450.db2.gz IFGYQEFZQMOXQP-ZDUSSCGKSA-N 1 0 246.354 2.187 20 30 BEEDRO CCCCCCCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000123513608 589740279 /nfs/dbraw/zinc/74/02/79/589740279.db2.gz YMHNQAMURALPSH-CYBMUJFWSA-N 1 0 229.364 2.040 20 30 BEEDRO CCNC(NCCC[C@H]1C=CCC1)=[NH+]CC ZINC000871603036 589773202 /nfs/dbraw/zinc/77/32/02/589773202.db2.gz BXOLDZWBXAUISV-LBPRGKRZSA-N 1 0 223.364 2.308 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CC[C@H]1CCCS1 ZINC000871918271 589832764 /nfs/dbraw/zinc/83/27/64/589832764.db2.gz NQYUPVHALVXTNB-NWDGAFQWSA-N 1 0 237.372 2.305 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872050241 589860555 /nfs/dbraw/zinc/86/05/55/589860555.db2.gz ZXJXPPFKACEAQN-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872051312 589861074 /nfs/dbraw/zinc/86/10/74/589861074.db2.gz IVQOGCXFSVORCT-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872063558 589862943 /nfs/dbraw/zinc/86/29/43/589862943.db2.gz XMAHSBSXVHAKAK-UWVGGRQHSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872078036 589865499 /nfs/dbraw/zinc/86/54/99/589865499.db2.gz ODBQNGHSGJQPEU-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)CCC(F)(F)F ZINC000872087143 589867659 /nfs/dbraw/zinc/86/76/59/589867659.db2.gz BCEQMMOGTDIECX-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC[C@@H]1CCOC1=O ZINC000872114032 589874842 /nfs/dbraw/zinc/87/48/42/589874842.db2.gz SZIMYIBBMJSKQX-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000872139317 589880311 /nfs/dbraw/zinc/88/03/11/589880311.db2.gz BSINKYWFFNLUPJ-KBUPBQIOSA-N 1 0 246.398 2.393 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000872139646 589880401 /nfs/dbraw/zinc/88/04/01/589880401.db2.gz MUZAKZNPJSNZMF-XVIXHAIJSA-N 1 0 221.344 2.334 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000872140252 589880919 /nfs/dbraw/zinc/88/09/19/589880919.db2.gz HIEZBQSRWKWRJU-RZLSGREXSA-N 1 0 246.398 2.251 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000872140449 589880970 /nfs/dbraw/zinc/88/09/70/589880970.db2.gz NRIITCQQJZOZSE-ZQDZILKHSA-N 1 0 234.387 2.251 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000872140622 589881449 /nfs/dbraw/zinc/88/14/49/589881449.db2.gz UEPQHJMWRHDVNP-FQUUOJAGSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000872250646 589900557 /nfs/dbraw/zinc/90/05/57/589900557.db2.gz KQCRMPLOFJVZNE-IHRRRGAJSA-N 1 0 248.370 2.069 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315007 589910122 /nfs/dbraw/zinc/91/01/22/589910122.db2.gz KEXPBVSUUDBWPF-YPMHNXCESA-N 1 0 222.332 2.227 20 30 BEEDRO CN1CC[N@H+](CCCCC#N)Cc2cccnc21 ZINC000872318787 589912001 /nfs/dbraw/zinc/91/20/01/589912001.db2.gz QGYHKPHZOJSATK-UHFFFAOYSA-N 1 0 244.342 2.027 20 30 BEEDRO C[C@H]1C(N=Nc2ccccc2)CC[N@@H+]1C ZINC000872324488 589912504 /nfs/dbraw/zinc/91/25/04/589912504.db2.gz SFIGHLGOVYHUQR-JTQLQIEISA-N 1 0 203.289 2.179 20 30 BEEDRO C[C@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000872323970 589912592 /nfs/dbraw/zinc/91/25/92/589912592.db2.gz GQPQLLHJAOYRCB-VIFPVBQESA-N 1 0 248.286 2.087 20 30 BEEDRO C=CCC1(C=[NH+]n2cnnc2)CCCC1 ZINC000872324065 589912644 /nfs/dbraw/zinc/91/26/44/589912644.db2.gz KAMWBYZEDPBQHY-UHFFFAOYSA-N 1 0 204.277 2.249 20 30 BEEDRO C[C@H]1C(N=Nc2ccc(F)cc2F)CC[N@@H+]1C ZINC000872325402 589913227 /nfs/dbraw/zinc/91/32/27/589913227.db2.gz PMHGLWHYAZGZMK-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc(F)cc2F)CC[N@@H+]1C ZINC000872325401 589913328 /nfs/dbraw/zinc/91/33/28/589913328.db2.gz PMHGLWHYAZGZMK-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO COc1cccc(N=NC2CC[N@H+](C)[C@@H]2C)c1 ZINC000872338114 589914067 /nfs/dbraw/zinc/91/40/67/589914067.db2.gz BLOVYOZBZFASRB-SNVBAGLBSA-N 1 0 233.315 2.187 20 30 BEEDRO C[C@H]1C(N=Nc2cccc(F)c2)CC[N@@H+]1C ZINC000872345493 589915721 /nfs/dbraw/zinc/91/57/21/589915721.db2.gz QGAYJFCBQVJUPS-VIFPVBQESA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@H]1C(N=Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000872343989 589915748 /nfs/dbraw/zinc/91/57/48/589915748.db2.gz GVLCMNGKCYGYEA-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@H](CC#N)NN=C1CCC(C)([NH+](C)C)CC1 ZINC000872357777 589916217 /nfs/dbraw/zinc/91/62/17/589916217.db2.gz KAGGQBDVLWGQFX-JTDNENJMSA-N 1 0 236.363 2.128 20 30 BEEDRO CCNc1ccccc1C=[NH+]N[C@H](C)CC#N ZINC000872358934 589918390 /nfs/dbraw/zinc/91/83/90/589918390.db2.gz ZRUKCXCECUBKIL-LLVKDONJSA-N 1 0 230.315 2.344 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCCCCC2(C)C)=[NH+]1 ZINC000872364380 589920777 /nfs/dbraw/zinc/92/07/77/589920777.db2.gz KBICDHNXPKEQNR-SNVBAGLBSA-N 1 0 236.363 2.270 20 30 BEEDRO CCNc1ccccc1C=[NH+]N[C@@H]1CCCOC1 ZINC000872365845 589921069 /nfs/dbraw/zinc/92/10/69/589921069.db2.gz HPTKQEWLQITTNI-CYBMUJFWSA-N 1 0 247.342 2.221 20 30 BEEDRO CCOCCO[NH+]=Cc1ccccc1NC ZINC000872366777 589922137 /nfs/dbraw/zinc/92/21/37/589922137.db2.gz HYJNTEZKPIZQEB-UHFFFAOYSA-N 1 0 222.288 2.115 20 30 BEEDRO CC[C@H](C)CON=CC1CC[NH+](C)CC1 ZINC000872376072 589925774 /nfs/dbraw/zinc/92/57/74/589925774.db2.gz AHVIDHYSZWIVOI-NSHDSACASA-N 1 0 212.337 2.377 20 30 BEEDRO CNc1ccccc1C=[NH+]OCC1CC1 ZINC000872378611 589926935 /nfs/dbraw/zinc/92/69/35/589926935.db2.gz MUCKDPISFBKYQV-UHFFFAOYSA-N 1 0 204.273 2.489 20 30 BEEDRO C[C@@H]1C(N=Nc2ccnc(Cl)c2)CC[N@@H+]1C ZINC000872388689 589931436 /nfs/dbraw/zinc/93/14/36/589931436.db2.gz VWXSXTYSQSWZSH-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO C#CCSCCNc1cc[nH+]cc1C1CC1 ZINC000872460952 589941800 /nfs/dbraw/zinc/94/18/00/589941800.db2.gz HIPHJECGTBOSEA-UHFFFAOYSA-N 1 0 232.352 2.159 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)o1 ZINC000873156194 589988903 /nfs/dbraw/zinc/98/89/03/589988903.db2.gz JRNQPEOXICOQJF-DDTOSNHZSA-N 1 0 246.310 2.198 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000873198175 589991892 /nfs/dbraw/zinc/99/18/92/589991892.db2.gz VZMSFCUIIVZJSN-JOCQHMNTSA-N 1 0 243.354 2.111 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC000873198332 589992149 /nfs/dbraw/zinc/99/21/49/589992149.db2.gz FLTJACGBQYOKGA-XYPYZODXSA-N 1 0 220.341 2.425 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@H]3[C@H]2CCC[N@H+]3C)C1 ZINC000874822670 590141617 /nfs/dbraw/zinc/14/16/17/590141617.db2.gz JVHDRZDHMBJTBD-QWHCGFSZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[S@](=O)CC)C1CC1 ZINC000125331873 590162192 /nfs/dbraw/zinc/16/21/92/590162192.db2.gz VEABNSJEGRBQKC-WFASDCNBSA-N 1 0 229.389 2.089 20 30 BEEDRO C#CCCCCCC[N@H+]1CCCN(C)CC1 ZINC000876510863 590205341 /nfs/dbraw/zinc/20/53/41/590205341.db2.gz QYJWBUWLOCVLLR-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cnc2c(cnn2C)c1 ZINC000876525354 590208195 /nfs/dbraw/zinc/20/81/95/590208195.db2.gz CMBBDCFWQOSQTB-UHFFFAOYSA-N 1 0 242.326 2.142 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc2c(cnn2C)c1 ZINC000876527631 590208888 /nfs/dbraw/zinc/20/88/88/590208888.db2.gz CLIYMORZRKOBOG-UHFFFAOYSA-N 1 0 244.342 2.366 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC ZINC000876543795 590212548 /nfs/dbraw/zinc/21/25/48/590212548.db2.gz JHCALKJSEKBHKU-WDEREUQCSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC ZINC000876543794 590212612 /nfs/dbraw/zinc/21/26/12/590212612.db2.gz JHCALKJSEKBHKU-QWRGUYRKSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1C ZINC000876549791 590214378 /nfs/dbraw/zinc/21/43/78/590214378.db2.gz JCLMJVJOCVZPGC-DVVUODLYSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1C ZINC000876549796 590214467 /nfs/dbraw/zinc/21/44/67/590214467.db2.gz JCLMJVJOCVZPGC-MIMYLULJSA-N 1 0 244.766 2.151 20 30 BEEDRO C#CCCCCCC[NH+]1CCC(CO)CC1 ZINC000876565327 590217032 /nfs/dbraw/zinc/21/70/32/590217032.db2.gz UAZZWGGZLKRART-UHFFFAOYSA-N 1 0 223.360 2.274 20 30 BEEDRO C=CC[N@@H+](C[C@H](OC)C1CCOCC1)C(C)C ZINC000876598407 590220355 /nfs/dbraw/zinc/22/03/55/590220355.db2.gz WRWVRSBCSIKCHX-AWEZNQCLSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(C)C)C(C)C ZINC000876599941 590220568 /nfs/dbraw/zinc/22/05/68/590220568.db2.gz ARIUDXKXBZAOCQ-LLVKDONJSA-N 1 0 246.782 2.349 20 30 BEEDRO C=CC[N@H+](Cc1cnc2c(cnn2C)c1)C(C)C ZINC000876600419 590220810 /nfs/dbraw/zinc/22/08/10/590220810.db2.gz QSWXYBXBFCODHH-UHFFFAOYSA-N 1 0 244.342 2.365 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)CCC ZINC000876603265 590220940 /nfs/dbraw/zinc/22/09/40/590220940.db2.gz NSHQFIWERQETAW-UWVGGRQHSA-N 1 0 232.755 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](CC(=O)OC)C(C)C ZINC000876604459 590221235 /nfs/dbraw/zinc/22/12/35/590221235.db2.gz BLHPEFCZDAUZFR-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO C#CCCCCCC[N@H+]1CCOC[C@H]1C ZINC000876610583 590221834 /nfs/dbraw/zinc/22/18/34/590221834.db2.gz DQNQFHNQUQVXMZ-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)CCC ZINC000876628123 590223612 /nfs/dbraw/zinc/22/36/12/590223612.db2.gz GEADRIAHFJVXFY-UWVGGRQHSA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)CCC ZINC000876634476 590224461 /nfs/dbraw/zinc/22/44/61/590224461.db2.gz SEJSJUIGAKCMJT-SECBINFHSA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)CCC ZINC000876634477 590224549 /nfs/dbraw/zinc/22/45/49/590224549.db2.gz SEJSJUIGAKCMJT-VIFPVBQESA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC000876653549 590226077 /nfs/dbraw/zinc/22/60/77/590226077.db2.gz OBVGFCZUBZVSKB-JTQLQIEISA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@H](C)CC ZINC000876668195 590227083 /nfs/dbraw/zinc/22/70/83/590227083.db2.gz SVAYHVBUEMCSEV-MIMYLULJSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@H]1CC ZINC000876670150 590228563 /nfs/dbraw/zinc/22/85/63/590228563.db2.gz HLYLEILIUMHGSO-GDPRMGEGSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](CCCO)C1CC1 ZINC000876732480 590234233 /nfs/dbraw/zinc/23/42/33/590234233.db2.gz XEOXKPZWYLGTGJ-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CC[N@H+](Cc1cccc(C#N)n1)C1CCCC1 ZINC000876784588 590240131 /nfs/dbraw/zinc/24/01/31/590240131.db2.gz KWKOFUGOMJYXFW-UHFFFAOYSA-N 1 0 239.322 2.331 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC1CC1 ZINC000876897815 590254904 /nfs/dbraw/zinc/25/49/04/590254904.db2.gz GHQJSDGTEWMHIV-GXSJLCMTSA-N 1 0 244.766 2.151 20 30 BEEDRO CSCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876893020 590255066 /nfs/dbraw/zinc/25/50/66/590255066.db2.gz NNXUJFJGZGPOFZ-UHFFFAOYSA-N 1 0 241.747 2.059 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc[nH]n1 ZINC000876915384 590256488 /nfs/dbraw/zinc/25/64/88/590256488.db2.gz QXHSYYKSAQHNHF-UHFFFAOYSA-N 1 0 205.305 2.083 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)CC ZINC000876961086 590261468 /nfs/dbraw/zinc/26/14/68/590261468.db2.gz CZPYVVDRQGCRNV-NXEZZACHSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000876969343 590262475 /nfs/dbraw/zinc/26/24/75/590262475.db2.gz YVMYFAMZNOJSKL-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]([NH3+])CC(=C)Cl ZINC000876978101 590263844 /nfs/dbraw/zinc/26/38/44/590263844.db2.gz GFRLSKPKWNRKLS-JTQLQIEISA-N 1 0 244.766 2.317 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000876987655 590265029 /nfs/dbraw/zinc/26/50/29/590265029.db2.gz DFIIZZZOBHGONB-GXTWGEPZSA-N 1 0 238.375 2.073 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000876987820 590265311 /nfs/dbraw/zinc/26/53/11/590265311.db2.gz JVHDGCGNLGGURL-WXRRBKDZSA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCCNC(=O)c1coc(C[NH3+])c1 ZINC000876987908 590265325 /nfs/dbraw/zinc/26/53/25/590265325.db2.gz MPNUFYSVFJWCNJ-UHFFFAOYSA-N 1 0 238.331 2.439 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]([NH3+])CC(=C)Cl ZINC000876991420 590266223 /nfs/dbraw/zinc/26/62/23/590266223.db2.gz XRLKGNNMLMSNTI-SNVBAGLBSA-N 1 0 244.766 2.175 20 30 BEEDRO CCN(CC[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000876996629 590266900 /nfs/dbraw/zinc/26/69/00/590266900.db2.gz XKGXJWREQWAICM-UHFFFAOYSA-N 1 0 237.391 2.389 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCCOC1 ZINC000877007939 590268714 /nfs/dbraw/zinc/26/87/14/590268714.db2.gz IAUJVIRWDLCONL-CYBMUJFWSA-N 1 0 209.333 2.339 20 30 BEEDRO C=C(Br)C[NH2+]C[C@H](C)CCC#N ZINC000877019602 590269862 /nfs/dbraw/zinc/26/98/62/590269862.db2.gz AQIYVAYNVAEQGN-MRVPVSSYSA-N 1 0 231.137 2.424 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877035344 590272318 /nfs/dbraw/zinc/27/23/18/590272318.db2.gz FFKKKAFHXZOJTQ-QMMMGPOBSA-N 1 0 211.696 2.184 20 30 BEEDRO CSCC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000877055390 590275147 /nfs/dbraw/zinc/27/51/47/590275147.db2.gz MPLFQOSQAFXQHF-SNVBAGLBSA-N 1 0 235.356 2.184 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)[C@@H](C)CO ZINC000877058101 590275776 /nfs/dbraw/zinc/27/57/76/590275776.db2.gz UYKLEUBCUAYOCK-STQMWFEESA-N 1 0 211.349 2.177 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+]C[C@@H](C)CCC#N)o1 ZINC000877058566 590276362 /nfs/dbraw/zinc/27/63/62/590276362.db2.gz CDYCWIRLBCMXOI-JQWIXIFHSA-N 1 0 236.315 2.151 20 30 BEEDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877068898 590277107 /nfs/dbraw/zinc/27/71/07/590277107.db2.gz UWYHOSIYULQSBC-MFKMUULPSA-N 1 0 247.367 2.327 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCOC1CCC1 ZINC000877070006 590277127 /nfs/dbraw/zinc/27/71/27/590277127.db2.gz RYIMJBRRGACTFJ-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C#CCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877070880 590277643 /nfs/dbraw/zinc/27/76/43/590277643.db2.gz XVPMXOQFWSOTNL-QMMMGPOBSA-N 1 0 206.116 2.183 20 30 BEEDRO CC1CC([NH2+]Cc2cc(C#N)cnc2Cl)C1 ZINC000877079277 590279646 /nfs/dbraw/zinc/27/96/46/590279646.db2.gz AHZFISRMLJWHMN-UHFFFAOYSA-N 1 0 235.718 2.495 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000877087963 590280319 /nfs/dbraw/zinc/28/03/19/590280319.db2.gz XYKVODJMJQRQSW-ZDUSSCGKSA-N 1 0 246.354 2.414 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)CC[S@@](C)=O ZINC000877088137 590280956 /nfs/dbraw/zinc/28/09/56/590280956.db2.gz BLRVUQBYCIJAGM-CZUORRHYSA-N 1 0 243.416 2.317 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)CC1CC1 ZINC000877117489 590288501 /nfs/dbraw/zinc/28/85/01/590288501.db2.gz DKWGVPNLJSSTOQ-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(C)(C)CC ZINC000877148130 590292037 /nfs/dbraw/zinc/29/20/37/590292037.db2.gz TXZQLWIPBFRJPP-SNVBAGLBSA-N 1 0 246.782 2.399 20 30 BEEDRO Cc1cccc(NCC[NH2+]C[C@H](C)CCC#N)n1 ZINC000877157997 590294151 /nfs/dbraw/zinc/29/41/51/590294151.db2.gz NPZKKHQISZWQKT-GFCCVEGCSA-N 1 0 246.358 2.331 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[N@H+]1CC=CCC1 ZINC000877167575 590295252 /nfs/dbraw/zinc/29/52/52/590295252.db2.gz CNRZNGNFUVECOR-UHFFFAOYSA-N 1 0 241.338 2.386 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC(CCCO)CC1 ZINC000877194982 590299173 /nfs/dbraw/zinc/29/91/73/590299173.db2.gz ZPFJHFVGJHYWBO-ZDUSSCGKSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[NH2+]C(C)C ZINC000877303152 590310281 /nfs/dbraw/zinc/31/02/81/590310281.db2.gz BPPGHSXONXLRDL-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO Cc1ccc(C[NH2+]CCCC#N)c(O)c1 ZINC000877303510 590310417 /nfs/dbraw/zinc/31/04/17/590310417.db2.gz JHWCZOXIBBYJSG-UHFFFAOYSA-N 1 0 204.273 2.094 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000877304188 590310463 /nfs/dbraw/zinc/31/04/63/590310463.db2.gz UMCARXYDOURPKX-WDEREUQCSA-N 1 0 226.364 2.078 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1ccno1 ZINC000877321208 590313558 /nfs/dbraw/zinc/31/35/58/590313558.db2.gz FYAZTXMCCRDEKY-UHFFFAOYSA-N 1 0 206.289 2.348 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000877321295 590316482 /nfs/dbraw/zinc/31/64/82/590316482.db2.gz HOEVFVLEMZTODW-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000877321294 590316564 /nfs/dbraw/zinc/31/65/64/590316564.db2.gz HOEVFVLEMZTODW-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](C)CCC#N ZINC000877325249 590317102 /nfs/dbraw/zinc/31/71/02/590317102.db2.gz FDCQHDJBLIEOMR-WCQYABFASA-N 1 0 240.347 2.248 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)CC=C ZINC000877338261 590317808 /nfs/dbraw/zinc/31/78/08/590317808.db2.gz ASQLTIHZJJZKRA-ZDUSSCGKSA-N 1 0 209.333 2.097 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877335957 590318287 /nfs/dbraw/zinc/31/82/87/590318287.db2.gz GPNLMZCRKKWBRK-HNNXBMFYSA-N 1 0 233.355 2.373 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)(C)SC)[C@H]1CCCO1 ZINC000877413819 590324541 /nfs/dbraw/zinc/32/45/41/590324541.db2.gz RVEHFIIPQVVKQV-NWDGAFQWSA-N 1 0 241.400 2.289 20 30 BEEDRO CN(CCCCCC[NH3+])C(=O)CCCCC#N ZINC000877437377 590327692 /nfs/dbraw/zinc/32/76/92/590327692.db2.gz CULSIWDKEWTRLH-UHFFFAOYSA-N 1 0 239.363 2.048 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000877463473 590332838 /nfs/dbraw/zinc/33/28/38/590332838.db2.gz DTRRRRWWNIISLG-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000877469252 590333333 /nfs/dbraw/zinc/33/33/33/590333333.db2.gz SSDYGMYNQVMYQD-ZIAGYGMSSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000877467318 590334026 /nfs/dbraw/zinc/33/40/26/590334026.db2.gz FEPCGSIHXMFEDG-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000877469251 590334151 /nfs/dbraw/zinc/33/41/51/590334151.db2.gz SSDYGMYNQVMYQD-UONOGXRCSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[N@@H+](CCO)C1CCC1 ZINC000877465184 590334411 /nfs/dbraw/zinc/33/44/11/590334411.db2.gz WGRZPFHIXSOUFM-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO CC1C[NH+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877486999 590337182 /nfs/dbraw/zinc/33/71/82/590337182.db2.gz AOINNAZLXPPJGN-UHFFFAOYSA-N 1 0 229.327 2.076 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000877513229 590343467 /nfs/dbraw/zinc/34/34/67/590343467.db2.gz OOKSNKZAAPVEMX-JSGCOSHPSA-N 1 0 246.354 2.269 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C)cc1O ZINC000877512913 590343720 /nfs/dbraw/zinc/34/37/20/590343720.db2.gz FZVXRTSWEMOLLY-LBPRGKRZSA-N 1 0 203.285 2.202 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000877513115 590343760 /nfs/dbraw/zinc/34/37/60/590343760.db2.gz LHZOPRGWKKDKAW-CRWXNKLISA-N 1 0 233.355 2.191 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877512893 590344196 /nfs/dbraw/zinc/34/41/96/590344196.db2.gz FHUZZMFSOGSLEI-SFYZADRCSA-N 1 0 206.116 2.182 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000877513118 590344200 /nfs/dbraw/zinc/34/42/00/590344200.db2.gz LHZOPRGWKKDKAW-XUXIUFHCSA-N 1 0 233.355 2.191 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCCP(=O)(OCC)OCC ZINC000877513831 590344717 /nfs/dbraw/zinc/34/47/17/590344717.db2.gz DIRXRTOLSXRRHX-LLVKDONJSA-N 1 0 247.275 2.254 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CCc1cccnc1 ZINC000877514856 590345688 /nfs/dbraw/zinc/34/56/88/590345688.db2.gz WIQALPVGNAJMCI-RYUDHWBXSA-N 1 0 202.301 2.014 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000877541611 590352020 /nfs/dbraw/zinc/35/20/20/590352020.db2.gz JXLHKRZQSFTIFS-CYBMUJFWSA-N 1 0 223.360 2.415 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+]CCCCF)c1 ZINC000877541591 590352085 /nfs/dbraw/zinc/35/20/85/590352085.db2.gz JOCGNKYKDFBXQC-UHFFFAOYSA-N 1 0 241.697 2.446 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1nc(Cl)cs1 ZINC000877575601 590354065 /nfs/dbraw/zinc/35/40/65/590354065.db2.gz YYYURFVPMNXXEF-QMMMGPOBSA-N 1 0 246.763 2.213 20 30 BEEDRO C#CCCCCCC[NH2+]CCC1(CO)CC1 ZINC000877570610 590362186 /nfs/dbraw/zinc/36/21/86/590362186.db2.gz KLCYOIMECQCLCQ-UHFFFAOYSA-N 1 0 223.360 2.322 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877575110 590362826 /nfs/dbraw/zinc/36/28/26/590362826.db2.gz HLQUDHFKGZSPCN-IUCAKERBSA-N 1 0 238.158 2.097 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCO[C@@H](CF)C1 ZINC000877587202 590367883 /nfs/dbraw/zinc/36/78/83/590367883.db2.gz HVXPOOQIBJGTPC-ZDUSSCGKSA-N 1 0 227.323 2.240 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC2(Cl)Cl)C1 ZINC000877597155 590370978 /nfs/dbraw/zinc/37/09/78/590370978.db2.gz BNLRELIOAZTINV-DJLDLDEBSA-N 1 0 233.142 2.462 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)cccc1O ZINC000877598581 590371379 /nfs/dbraw/zinc/37/13/79/590371379.db2.gz PLIYUHLXGGSLBR-WFASDCNBSA-N 1 0 247.338 2.381 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cncc(OC)c2C)C1 ZINC000877616904 590374836 /nfs/dbraw/zinc/37/48/36/590374836.db2.gz IGWYPLKNTLEIKX-ZDUSSCGKSA-N 1 0 244.338 2.244 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000877617744 590376252 /nfs/dbraw/zinc/37/62/52/590376252.db2.gz UMWVVXBJGROEJL-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000877629543 590377636 /nfs/dbraw/zinc/37/76/36/590377636.db2.gz VEPBXHITUADZGU-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@]1(C)OC ZINC000877641081 590382745 /nfs/dbraw/zinc/38/27/45/590382745.db2.gz VZWULGGJMYBQBQ-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](OC)[C@@H](C)CC)C1 ZINC000877649614 590384305 /nfs/dbraw/zinc/38/43/05/590384305.db2.gz CFUSBZBRWOCTGG-BFHYXJOUSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000877651426 590384957 /nfs/dbraw/zinc/38/49/57/590384957.db2.gz YCBZENMGSDRTBQ-ZDUSSCGKSA-N 1 0 229.323 2.024 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CCSC2)n1 ZINC000877662207 590387517 /nfs/dbraw/zinc/38/75/17/590387517.db2.gz NPFKDRMLOWOIHJ-NSHDSACASA-N 1 0 247.367 2.186 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@](O)(CC)C2)cc1 ZINC000877691496 590392532 /nfs/dbraw/zinc/39/25/32/590392532.db2.gz OYGDYKXCUWYLQZ-INIZCTEOSA-N 1 0 243.350 2.405 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCC[C@@H]1O ZINC000877701139 590394297 /nfs/dbraw/zinc/39/42/97/590394297.db2.gz LRGLNZWJMYPICW-STQMWFEESA-N 1 0 209.333 2.073 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccc(C#N)o2)CCC1(C)C ZINC000877701511 590394426 /nfs/dbraw/zinc/39/44/26/590394426.db2.gz YXHOYAJDTDHXPR-UHFFFAOYSA-N 1 0 247.342 2.067 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CC(C(=O)OC)C1 ZINC000877722002 590401641 /nfs/dbraw/zinc/40/16/41/590401641.db2.gz IGFOWHMZZIKKJD-JYBOHDQNSA-N 1 0 225.332 2.128 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCOC1 ZINC000126696800 590417777 /nfs/dbraw/zinc/41/77/77/590417777.db2.gz XZTSJKIODSVMEK-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccnn1C ZINC000877762173 590418638 /nfs/dbraw/zinc/41/86/38/590418638.db2.gz ARFOPPQIUHAGNT-WDEREUQCSA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000877766591 590420038 /nfs/dbraw/zinc/42/00/38/590420038.db2.gz GCVULQWPRGJAPI-KMUNFCNLSA-N 1 0 226.323 2.271 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC(OC(C)(C)C)C1 ZINC000877769520 590421377 /nfs/dbraw/zinc/42/13/77/590421377.db2.gz DPFCKJCBALHVIH-LLVKDONJSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1ncnn1CC ZINC000877804221 590424974 /nfs/dbraw/zinc/42/49/74/590424974.db2.gz QGJDTNWBJNCLOP-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000877805417 590425952 /nfs/dbraw/zinc/42/59/52/590425952.db2.gz NIQLGCNGFUYYQU-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000877807906 590426409 /nfs/dbraw/zinc/42/64/09/590426409.db2.gz YQTXSDDWZPPMBY-ZOBORPQBSA-N 1 0 236.359 2.473 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)nn2)CC1 ZINC000877833827 590429882 /nfs/dbraw/zinc/42/98/82/590429882.db2.gz KWMWOKDFZBXSBO-XYPYZODXSA-N 1 0 249.745 2.412 20 30 BEEDRO CC1([NH2+]Cc2cccc(C#N)n2)CC(F)(F)C1 ZINC000877834715 590430848 /nfs/dbraw/zinc/43/08/48/590430848.db2.gz VSNOPJBQGSHPQI-UHFFFAOYSA-N 1 0 237.253 2.231 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000877895779 590441827 /nfs/dbraw/zinc/44/18/27/590441827.db2.gz JUVHJHIJUNWTFV-JTQLQIEISA-N 1 0 236.281 2.131 20 30 BEEDRO CC(C)[C@@H](O)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000877917216 590446866 /nfs/dbraw/zinc/44/68/66/590446866.db2.gz RATJYDOXUVCFBG-HNNXBMFYSA-N 1 0 246.354 2.397 20 30 BEEDRO C#CCCCCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000877940645 590453518 /nfs/dbraw/zinc/45/35/18/590453518.db2.gz FTWPSYHMSGJZQE-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(CC(=O)OC)CC1 ZINC000877990021 590466607 /nfs/dbraw/zinc/46/66/07/590466607.db2.gz LTNCSUJYOOIOET-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000878016946 590472725 /nfs/dbraw/zinc/47/27/25/590472725.db2.gz CBWVEHJCQYDXNC-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000878018912 590472765 /nfs/dbraw/zinc/47/27/65/590472765.db2.gz NOWJDIKBKPKXEE-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000878033027 590475960 /nfs/dbraw/zinc/47/59/60/590475960.db2.gz RIMJDPCJCZDRSH-NSHDSACASA-N 1 0 207.321 2.207 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(N2CCCC2=O)CC1 ZINC000878057449 590484787 /nfs/dbraw/zinc/48/47/87/590484787.db2.gz LQELZTXJZFSPHA-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)CC ZINC000878093090 590491381 /nfs/dbraw/zinc/49/13/81/590491381.db2.gz FAGNYPNGHHFXEN-MNOVXSKESA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000878094450 590491841 /nfs/dbraw/zinc/49/18/41/590491841.db2.gz VFANQKQPDBNFDQ-BETUJISGSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000878106512 590495287 /nfs/dbraw/zinc/49/52/87/590495287.db2.gz HCVFALOLKIWGGS-RYUDHWBXSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC2(C1)CCOCC2 ZINC000878152619 590508261 /nfs/dbraw/zinc/50/82/61/590508261.db2.gz LWZQZZSMULSWQF-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[N@@H+](CC)Cc1c(C)cc(C)nc1C ZINC000878166901 590513392 /nfs/dbraw/zinc/51/33/92/590513392.db2.gz JEQFJLMPFAQTFG-UHFFFAOYSA-N 1 0 216.328 2.462 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[N@@H+](C)C(C)C ZINC000878219749 590525680 /nfs/dbraw/zinc/52/56/80/590525680.db2.gz OXARVDOECVVYBB-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](C)[N@H+](C)CCCn1ccnc1C ZINC000878288616 590534648 /nfs/dbraw/zinc/53/46/48/590534648.db2.gz ZPAMZKOMYRFWHP-GFCCVEGCSA-N 1 0 221.348 2.478 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000878292370 590535395 /nfs/dbraw/zinc/53/53/95/590535395.db2.gz YSXLSKHJHZXVIS-YNEHKIRRSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310993 590541059 /nfs/dbraw/zinc/54/10/59/590541059.db2.gz XIHQUTHIMFLPEK-KBPBESRZSA-N 1 0 235.375 2.117 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000878323012 590546159 /nfs/dbraw/zinc/54/61/59/590546159.db2.gz ULPMLHUTCJJCPS-GFCCVEGCSA-N 1 0 249.333 2.307 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000878334823 590548045 /nfs/dbraw/zinc/54/80/45/590548045.db2.gz DGLOAOALMFCXJX-KBPBESRZSA-N 1 0 222.376 2.204 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000878427755 590565466 /nfs/dbraw/zinc/56/54/66/590565466.db2.gz WPHGTYNXZUXORR-JTQLQIEISA-N 1 0 221.304 2.222 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+](CC)CCC1CC1 ZINC000878432358 590566373 /nfs/dbraw/zinc/56/63/73/590566373.db2.gz BHYNQPSRKQPTEU-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCC[C@@H](C)C1 ZINC000878452420 590570035 /nfs/dbraw/zinc/57/00/35/590570035.db2.gz UINNMGBIYKRHRQ-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000878453995 590570859 /nfs/dbraw/zinc/57/08/59/590570859.db2.gz QNXOACVGZCCEPI-KGLIPLIRSA-N 1 0 233.355 2.337 20 30 BEEDRO C[C@H]1CC[C@@](CO)([N@H+](C)Cc2ccc(C#N)o2)C1 ZINC000878466669 590572437 /nfs/dbraw/zinc/57/24/37/590572437.db2.gz VKRMRCMWJKLXSV-SMDDNHRTSA-N 1 0 248.326 2.134 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCC[S@@](C)=O ZINC000127148249 590576696 /nfs/dbraw/zinc/57/66/96/590576696.db2.gz VGSQRWPXSOJBOQ-DOMZBBRYSA-N 1 0 231.405 2.480 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CCC2(CCC2)O1 ZINC000878513821 590584596 /nfs/dbraw/zinc/58/45/96/590584596.db2.gz HZCMDMPSGGGJDU-LBPRGKRZSA-N 1 0 221.344 2.432 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000878527715 590586644 /nfs/dbraw/zinc/58/66/44/590586644.db2.gz FXFRBOXNSZZPHZ-GXTWGEPZSA-N 1 0 232.327 2.499 20 30 BEEDRO C#CCCCCC[NH2+][C@H](c1nncn1C)C(C)C ZINC000878601534 590594933 /nfs/dbraw/zinc/59/49/33/590594933.db2.gz KYRPWRGNBJNTCJ-ZDUSSCGKSA-N 1 0 248.374 2.295 20 30 BEEDRO C=CC[C@@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000878646926 590601358 /nfs/dbraw/zinc/60/13/58/590601358.db2.gz CEWVANZWVGCOHW-UKRRQHHQSA-N 1 0 233.355 2.486 20 30 BEEDRO CC#CCN(C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000878656224 590603166 /nfs/dbraw/zinc/60/31/66/590603166.db2.gz JOLNAUCXHYMSOI-UHFFFAOYSA-N 1 0 232.283 2.358 20 30 BEEDRO 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C#C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)[C@@H]1CCCO1 ZINC000883218233 591576105 /nfs/dbraw/zinc/57/61/05/591576105.db2.gz WRIUNJAFFZQDFE-RDBSUJKOSA-N 1 0 233.355 2.480 20 30 BEEDRO C=CCC[C@H]([NH2+]CCF)[C@H]1CCCO1 ZINC000883221330 591576253 /nfs/dbraw/zinc/57/62/53/591576253.db2.gz YZQOEZAINMSBTI-WDEREUQCSA-N 1 0 201.285 2.059 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCC2(CC2)C1)[C@H]1CCCO1 ZINC000883218230 591576396 /nfs/dbraw/zinc/57/63/96/591576396.db2.gz WRIUNJAFFZQDFE-HZSPNIEDSA-N 1 0 233.355 2.480 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCO1 ZINC000883218092 591576530 /nfs/dbraw/zinc/57/65/30/591576530.db2.gz UFGWRRRTRQAHFU-OLZOCXBDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CCCO1 ZINC000883227915 591578617 /nfs/dbraw/zinc/57/86/17/591578617.db2.gz AWWIKCJNGRLGPP-AAVRWANBSA-N 1 0 239.359 2.003 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2C[C@H](OC)C2)cc1 ZINC000883262469 591600148 /nfs/dbraw/zinc/60/01/48/591600148.db2.gz ITVOMIJEQOVTQN-SHTZXODSSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@@H](COC)C2)cc1 ZINC000883315792 591611824 /nfs/dbraw/zinc/61/18/24/591611824.db2.gz ZBQIIBRXWZCFJH-GASCZTMLSA-N 1 0 229.323 2.183 20 30 BEEDRO C=C(Cl)CNCc1c(C)nc2ccccn21 ZINC000131666026 591637479 /nfs/dbraw/zinc/63/74/79/591637479.db2.gz NAQCETWYSSYMGW-UHFFFAOYSA-N 1 0 235.718 2.485 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883381690 591638115 /nfs/dbraw/zinc/63/81/15/591638115.db2.gz RFQPWDDFVNECMA-DGCLKSJQSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCC12CCC2 ZINC000883391355 591638237 /nfs/dbraw/zinc/63/82/37/591638237.db2.gz IOFLUTGLESIRPS-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CC(C(C)C)C1 ZINC000883391738 591638988 /nfs/dbraw/zinc/63/89/88/591638988.db2.gz QXGNPUXERYLWPN-BPCQOVAHSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCC(C)CC1 ZINC000883389542 591641895 /nfs/dbraw/zinc/64/18/95/591641895.db2.gz SYMUSGVJTBOWQO-BPCQOVAHSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cscn1 ZINC000883390470 591642356 /nfs/dbraw/zinc/64/23/56/591642356.db2.gz MOMKWMCVCIVTOS-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cncc(C)c1 ZINC000883391152 591642421 /nfs/dbraw/zinc/64/24/21/591642421.db2.gz DHUOQQAOSCPRMR-TZMCWYRMSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000883390527 591642689 /nfs/dbraw/zinc/64/26/89/591642689.db2.gz OETYNHHCLUGDDP-DOMZBBRYSA-N 1 0 249.354 2.157 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cncs1 ZINC000883390869 591642807 /nfs/dbraw/zinc/64/28/07/591642807.db2.gz WTUKDWVBJYQXNA-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](CCCC)COC ZINC000883390982 591642938 /nfs/dbraw/zinc/64/29/38/591642938.db2.gz YYVWIOUHSXMZEL-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000883390421 591643097 /nfs/dbraw/zinc/64/30/97/591643097.db2.gz LQQMFNLOANYKJY-GXSJLCMTSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000883390424 591643148 /nfs/dbraw/zinc/64/31/48/591643148.db2.gz LQQMFNLOANYKJY-ONGXEEELSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883392164 591644048 /nfs/dbraw/zinc/64/40/48/591644048.db2.gz BEQCWKSIMVQPAX-ZOBORPQBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](COC)CC(C)(C)C ZINC000883392331 591644562 /nfs/dbraw/zinc/64/45/62/591644562.db2.gz FOLWQITWGZVVOQ-OLZOCXBDSA-N 1 0 243.391 2.354 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000883392798 591644597 /nfs/dbraw/zinc/64/45/97/591644597.db2.gz OUHSHXBMVFEEKW-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)c1ccncc1 ZINC000883392640 591645237 /nfs/dbraw/zinc/64/52/37/591645237.db2.gz LQYKANMIBIMNHB-KGLIPLIRSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](COC)CC(C)(C)C ZINC000883392333 591645279 /nfs/dbraw/zinc/64/52/79/591645279.db2.gz FOLWQITWGZVVOQ-STQMWFEESA-N 1 0 243.391 2.354 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883392622 591645315 /nfs/dbraw/zinc/64/53/15/591645315.db2.gz LHMQNYARCOOMME-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1nc(C)cs1 ZINC000883392981 591645344 /nfs/dbraw/zinc/64/53/44/591645344.db2.gz SMKDYQIQEXNYHN-GHMZBOCLSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1sc(C)nc1C ZINC000883400756 591647575 /nfs/dbraw/zinc/64/75/75/591647575.db2.gz UOLHSAVFZVHWMD-NSHDSACASA-N 1 0 240.372 2.177 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000883400607 591647639 /nfs/dbraw/zinc/64/76/39/591647639.db2.gz QVOARGRECRJTDX-MRVPVSSYSA-N 1 0 246.763 2.213 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc2cccnc2o1 ZINC000883400559 591648090 /nfs/dbraw/zinc/64/80/90/591648090.db2.gz PPORTAXRVISKIX-GFCCVEGCSA-N 1 0 246.310 2.245 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1csc(CC)n1 ZINC000883401107 591648360 /nfs/dbraw/zinc/64/83/60/591648360.db2.gz CQNNVXFVBKMABI-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccs1 ZINC000883401537 591648393 /nfs/dbraw/zinc/64/83/93/591648393.db2.gz PFTWSLBDUPSXFU-SNVBAGLBSA-N 1 0 211.330 2.165 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(F)cc1 ZINC000883401367 591648870 /nfs/dbraw/zinc/64/88/70/591648870.db2.gz LACFRAGWAYSJPT-CYBMUJFWSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1sccc1C ZINC000883401755 591648874 /nfs/dbraw/zinc/64/88/74/591648874.db2.gz XIJGQWFEGFULBB-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(F)cc1F ZINC000883401463 591649050 /nfs/dbraw/zinc/64/90/50/591649050.db2.gz NMGPRHCJWQPXSU-LBPRGKRZSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CC[C@@H](C)Nc1ccc(OCC[NH3+])cc1 ZINC000883424909 591653156 /nfs/dbraw/zinc/65/31/56/591653156.db2.gz GZDSDDSBVPMVMV-LLVKDONJSA-N 1 0 220.316 2.401 20 30 BEEDRO Cc1cnc(=S)n(CN2CCC(C#N)CC2)c1 ZINC000131907985 591677010 /nfs/dbraw/zinc/67/70/10/591677010.db2.gz GUBVFORTCVXEFY-UHFFFAOYSA-N 1 0 248.355 2.114 20 30 BEEDRO C=CCCOC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000132602575 591725164 /nfs/dbraw/zinc/72/51/64/591725164.db2.gz PHFNVGDQLNKEMN-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000132878013 591744414 /nfs/dbraw/zinc/74/44/14/591744414.db2.gz UZYVTUDNLRBDMJ-VXGBXAGGSA-N 1 0 241.400 2.146 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000884006373 591793949 /nfs/dbraw/zinc/79/39/49/591793949.db2.gz PGAMRBBMBAGFHH-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000884013611 591798455 /nfs/dbraw/zinc/79/84/55/591798455.db2.gz NTISZMKXKGPWEC-NWDGAFQWSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000884024969 591805873 /nfs/dbraw/zinc/80/58/73/591805873.db2.gz JENGAYAIHFSPFK-LLVKDONJSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000884026466 591808891 /nfs/dbraw/zinc/80/88/91/591808891.db2.gz DYRHKQIEUHQPEW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000884033922 591816363 /nfs/dbraw/zinc/81/63/63/591816363.db2.gz VXKAUXLKMXUKOY-RYUDHWBXSA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000800221009 591842315 /nfs/dbraw/zinc/84/23/15/591842315.db2.gz GJYNMHPZIYOEHB-LBPRGKRZSA-N 1 0 232.327 2.461 20 30 BEEDRO COCCN(C)[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884464665 591942824 /nfs/dbraw/zinc/94/28/24/591942824.db2.gz XWDJEBUEHXRTOK-UHFFFAOYSA-N 1 0 249.358 2.188 20 30 BEEDRO COCCCC[N@H+](CCC#N)CC(C)C ZINC000134724775 591947477 /nfs/dbraw/zinc/94/74/77/591947477.db2.gz ZOSJJMLZXLOECV-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@H](C3CC3)CC2=O)CC1 ZINC000134772376 591949834 /nfs/dbraw/zinc/94/98/34/591949834.db2.gz KGQBLIZPJXIZIM-CQSZACIVSA-N 1 0 248.370 2.100 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000134911844 591958795 /nfs/dbraw/zinc/95/87/95/591958795.db2.gz BKEGYNDIOCNGTR-MNOVXSKESA-N 1 0 209.289 2.257 20 30 BEEDRO CCCC[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885931606 592110116 /nfs/dbraw/zinc/11/01/16/592110116.db2.gz WLNUJOCZLQSDIG-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885941963 592111537 /nfs/dbraw/zinc/11/15/37/592111537.db2.gz ICTMCTJRWUSAGX-AAEUAGOBSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885943898 592111687 /nfs/dbraw/zinc/11/16/87/592111687.db2.gz FWZHXSXWCGCZEQ-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCCC1 ZINC000885941077 592111862 /nfs/dbraw/zinc/11/18/62/592111862.db2.gz ZMGUCNBZAWRPLF-ZDUSSCGKSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885941965 592112189 /nfs/dbraw/zinc/11/21/89/592112189.db2.gz ICTMCTJRWUSAGX-WCQYABFASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885945080 592113263 /nfs/dbraw/zinc/11/32/63/592113263.db2.gz ZLUJSLGLJYDXSB-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1C[C@@]12CCOC2 ZINC000885954032 592114071 /nfs/dbraw/zinc/11/40/71/592114071.db2.gz LLXMHPXGTRGCGH-CHWSQXEVSA-N 1 0 207.317 2.087 20 30 BEEDRO C=C1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886003430 592127531 /nfs/dbraw/zinc/12/75/31/592127531.db2.gz CKBXUKBSODDVOQ-OLZOCXBDSA-N 1 0 207.317 2.065 20 30 BEEDRO CC1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886025955 592135293 /nfs/dbraw/zinc/13/52/93/592135293.db2.gz MYGVJZAZQOEXLO-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886037307 592138212 /nfs/dbraw/zinc/13/82/12/592138212.db2.gz HTZDCGKJYKGNBZ-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000886057871 592140833 /nfs/dbraw/zinc/14/08/33/592140833.db2.gz ZQSKCHWRZWUADF-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO CC1=CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886085800 592145551 /nfs/dbraw/zinc/14/55/51/592145551.db2.gz DBJCTHHMRHKIGQ-ZDUSSCGKSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886104582 592155453 /nfs/dbraw/zinc/15/54/53/592155453.db2.gz GMESBVRYHUABID-CYBMUJFWSA-N 1 0 234.343 2.082 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1[nH]nc(C)c1C ZINC000886105073 592155687 /nfs/dbraw/zinc/15/56/87/592155687.db2.gz REHZYPZPWHWCFB-TZMCWYRMSA-N 1 0 249.358 2.097 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000886111677 592156630 /nfs/dbraw/zinc/15/66/30/592156630.db2.gz GMYLJQHSAIBVGH-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2[nH]nc(C)c2C)c1 ZINC000886138441 592161760 /nfs/dbraw/zinc/16/17/60/592161760.db2.gz KKGRDYVBXMYTGB-UHFFFAOYSA-N 1 0 239.322 2.298 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886153519 592164538 /nfs/dbraw/zinc/16/45/38/592164538.db2.gz JAPPDUKCKBPQQQ-KEDPEKRHSA-N 1 0 247.313 2.203 20 30 BEEDRO C=CC[N@H+](CCOC)CCSC(F)(F)F ZINC000886168499 592167757 /nfs/dbraw/zinc/16/77/57/592167757.db2.gz SLKZKIQTAHKTBF-UHFFFAOYSA-N 1 0 243.294 2.374 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886169682 592168623 /nfs/dbraw/zinc/16/86/23/592168623.db2.gz FRXVDTXDEGIVSB-AGIUHOORSA-N 1 0 236.359 2.209 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCSC(F)(F)F ZINC000886173666 592169878 /nfs/dbraw/zinc/16/98/78/592169878.db2.gz WIKKVCBQVXVQNN-ZETCQYMHSA-N 1 0 211.252 2.193 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC000886213735 592178632 /nfs/dbraw/zinc/17/86/32/592178632.db2.gz ZOTSEEFCLWAERO-CQSZACIVSA-N 1 0 246.329 2.013 20 30 BEEDRO C#CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886265445 592189957 /nfs/dbraw/zinc/18/99/57/592189957.db2.gz JDGGQMAXLDGYOR-CABCVRRESA-N 1 0 233.355 2.289 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC23CCCC3)CCC1 ZINC000886267137 592190625 /nfs/dbraw/zinc/19/06/25/592190625.db2.gz GVBGOSRGNALXQZ-ZDUSSCGKSA-N 1 0 248.370 2.450 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CCC1 ZINC000886271945 592192519 /nfs/dbraw/zinc/19/25/19/592192519.db2.gz BGRVLZFVPWTCNL-MJBXVCDLSA-N 1 0 248.370 2.306 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000886356071 592216111 /nfs/dbraw/zinc/21/61/11/592216111.db2.gz STEWVLFZXRKLOB-HIFRSBDPSA-N 1 0 229.323 2.065 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCCC(=O)OCC)C1 ZINC000886357288 592216348 /nfs/dbraw/zinc/21/63/48/592216348.db2.gz DWAGLEBFYVZLFG-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000886364375 592218381 /nfs/dbraw/zinc/21/83/81/592218381.db2.gz YBYHVCMLSPULJI-MRXNPFEDSA-N 1 0 223.319 2.383 20 30 BEEDRO C#CC[C@@H]1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000886365686 592219846 /nfs/dbraw/zinc/21/98/46/592219846.db2.gz NSJQZYKRBZEOOK-HRCADAONSA-N 1 0 248.414 2.310 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886365813 592220195 /nfs/dbraw/zinc/22/01/95/592220195.db2.gz 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YWQFVHGZWCUUIV-GHMZBOCLSA-N 1 0 225.332 2.130 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCc2cccnc21 ZINC000886628312 592281527 /nfs/dbraw/zinc/28/15/27/592281527.db2.gz MHLLPKOLYVOCJT-MJBXVCDLSA-N 1 0 244.338 2.250 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](CC)C(C)C)C1 ZINC000886659804 592293044 /nfs/dbraw/zinc/29/30/44/592293044.db2.gz VXUUZQGTQBPTOF-KGLIPLIRSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000886659075 592293111 /nfs/dbraw/zinc/29/31/11/592293111.db2.gz BTGQMDLVTLWPSD-OCCSQVGLSA-N 1 0 248.395 2.496 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000886661542 592293226 /nfs/dbraw/zinc/29/32/26/592293226.db2.gz WVKAXPZAMKUPIV-DZGCQCFKSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](CC)CCC)C1 ZINC000886660794 592293320 /nfs/dbraw/zinc/29/33/20/592293320.db2.gz GGGCWUOQXSOXDM-KBPBESRZSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)C1 ZINC000886662973 592294700 /nfs/dbraw/zinc/29/47/00/592294700.db2.gz QOGWYRPWADKEJO-QXSJWSMHSA-N 1 0 246.398 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000886664738 592295148 /nfs/dbraw/zinc/29/51/48/592295148.db2.gz WMCJGSCAWXSFOU-ZIAGYGMSSA-N 1 0 232.371 2.006 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCCC3(CC3)C2)C1 ZINC000886664450 592296776 /nfs/dbraw/zinc/29/67/76/592296776.db2.gz NCKZYSDUHUXREC-CABCVRRESA-N 1 0 246.398 2.396 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886685735 592301332 /nfs/dbraw/zinc/30/13/32/592301332.db2.gz AJUQOSUHGQXWMD-CYBMUJFWSA-N 1 0 229.327 2.069 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000886780234 592319517 /nfs/dbraw/zinc/31/95/17/592319517.db2.gz GCOBKZJPKCQYHT-UHFFFAOYSA-N 1 0 246.310 2.054 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000886777070 592320219 /nfs/dbraw/zinc/32/02/19/592320219.db2.gz XRJABEIXGGVJAD-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000886789462 592322912 /nfs/dbraw/zinc/32/29/12/592322912.db2.gz VMBWDDMGUXQZMB-BFHYXJOUSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000886789463 592323543 /nfs/dbraw/zinc/32/35/43/592323543.db2.gz VMBWDDMGUXQZMB-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886818473 592338981 /nfs/dbraw/zinc/33/89/81/592338981.db2.gz FVZBZRSVUVKOGD-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886819134 592342633 /nfs/dbraw/zinc/34/26/33/592342633.db2.gz OMSFFMRVFWMXOW-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821731 592343748 /nfs/dbraw/zinc/34/37/48/592343748.db2.gz GNMYPOLFUJOVND-BFHYXJOUSA-N 1 0 221.344 2.289 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000220767890 592346918 /nfs/dbraw/zinc/34/69/18/592346918.db2.gz MSLVLPUXIDWGRV-NSHDSACASA-N 1 0 248.301 2.214 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886822704 592346966 /nfs/dbraw/zinc/34/69/66/592346966.db2.gz UFPVVHTTXSCGDT-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCc2c1cccc2F ZINC000886923365 592398177 /nfs/dbraw/zinc/39/81/77/592398177.db2.gz YSEVUKXAXOHPOC-KBPBESRZSA-N 1 0 235.302 2.340 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928607 592398186 /nfs/dbraw/zinc/39/81/86/592398186.db2.gz GHJLEYJQMYXKBW-QMTHXVAHSA-N 1 0 248.301 2.331 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(C3(O)CCC3)CCC2)C1 ZINC000886980941 592405409 /nfs/dbraw/zinc/40/54/09/592405409.db2.gz OWGCQPLJOAUHNV-OLZOCXBDSA-N 1 0 248.370 2.354 20 30 BEEDRO C=CCC[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC000887093420 592439104 /nfs/dbraw/zinc/43/91/04/592439104.db2.gz KDDVSFLRGNENPJ-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C#CCC1([NH2+]CCC2CCC2)CCOCC1 ZINC000887121036 592446786 /nfs/dbraw/zinc/44/67/86/592446786.db2.gz VFDMFAXSLURBOT-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO COc1cc(C#N)ccc1C[N@H+](C)CCCF ZINC000887141130 592457213 /nfs/dbraw/zinc/45/72/13/592457213.db2.gz HEYWHQYKJYXDEC-UHFFFAOYSA-N 1 0 236.290 2.358 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000222145648 592468141 /nfs/dbraw/zinc/46/81/41/592468141.db2.gz GNPUDNWUFIQCKJ-IUODEOHRSA-N 1 0 244.338 2.466 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1C[C@@H](OC)C1(CC)CC ZINC000140808876 592485311 /nfs/dbraw/zinc/48/53/11/592485311.db2.gz RMKYXJIWQVXEOH-NWDGAFQWSA-N 1 0 209.333 2.145 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CC[C@H](C)O1 ZINC000300071299 592502367 /nfs/dbraw/zinc/50/23/67/592502367.db2.gz WXAZHEOYMGUDRG-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@H](CC)C1)C(C)C ZINC000301009550 592527229 /nfs/dbraw/zinc/52/72/29/592527229.db2.gz YMVSQOGEKAFROM-UPJWGTAASA-N 1 0 209.333 2.191 20 30 BEEDRO CC(C)CCNC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000104177360 592603501 /nfs/dbraw/zinc/60/35/01/592603501.db2.gz XBQCOUKETKCMTP-GFCCVEGCSA-N 1 0 223.364 2.293 20 30 BEEDRO CC(C)CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000104175260 592603520 /nfs/dbraw/zinc/60/35/20/592603520.db2.gz SMMNSWKFHAIIRX-UHFFFAOYSA-N 1 0 245.326 2.493 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1nc(C(F)F)no1 ZINC000895725337 636175236 /nfs/dbraw/zinc/17/52/36/636175236.db2.gz LCFIFZBYGMIFRG-SSDOTTSWSA-N 1 0 244.245 2.037 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823883371 608490273 /nfs/dbraw/zinc/49/02/73/608490273.db2.gz PIHRBRLJNRHZLD-VHSXEESVSA-N 1 0 243.314 2.092 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](C)CC ZINC001498516533 988493679 /nfs/dbraw/zinc/49/36/79/988493679.db2.gz SXKSSWIHDWRLAK-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C ZINC001283702889 994291127 /nfs/dbraw/zinc/29/11/27/994291127.db2.gz CSHGAWZPCJTRIG-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[NH2+]C[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000063166817 634440367 /nfs/dbraw/zinc/44/03/67/634440367.db2.gz BQGWCTAFCDTTQQ-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC1CC[NH+](C)CC1 ZINC000931430661 634447862 /nfs/dbraw/zinc/44/78/62/634447862.db2.gz DOUTUTIIGRQHGE-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000313504765 634476435 /nfs/dbraw/zinc/47/64/35/634476435.db2.gz XSGMVCYCIYSHNQ-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1ccccc1 ZINC000313561009 634490679 /nfs/dbraw/zinc/49/06/79/634490679.db2.gz SHWLRNLMOKXBPX-ZIAGYGMSSA-N 1 0 217.312 2.112 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001027344730 634488255 /nfs/dbraw/zinc/48/82/55/634488255.db2.gz BUZPFLZMENPWOF-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO N#CC1(C[C@H](O)C[NH+]2CCCCCC2)CCC1 ZINC000310283330 635494798 /nfs/dbraw/zinc/49/47/98/635494798.db2.gz PXZRXIOVTPNCBI-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO Cc1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1C#N ZINC000925843069 635508875 /nfs/dbraw/zinc/50/88/75/635508875.db2.gz YXNCHJOQXXFKAG-SWLSCSKDSA-N 1 0 243.354 2.097 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000178574398 635525672 /nfs/dbraw/zinc/52/56/72/635525672.db2.gz WVOUCTVTJAJFOR-CYBMUJFWSA-N 1 0 245.370 2.277 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574386 635525773 /nfs/dbraw/zinc/52/57/73/635525773.db2.gz WVOUCTVTJAJFOR-ZDUSSCGKSA-N 1 0 245.370 2.277 20 30 BEEDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1cccc(C#N)c1 ZINC000335498176 631232803 /nfs/dbraw/zinc/23/28/03/631232803.db2.gz FDTBUFFXQSPWDF-WFASDCNBSA-N 1 0 243.354 2.351 20 30 BEEDRO Cc1cc(C#N)nc(NCC(C)(C)C[NH+](C)C)c1 ZINC000891441628 631293572 /nfs/dbraw/zinc/29/35/72/631293572.db2.gz WDULWLLYMRHBMF-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308357169 631296404 /nfs/dbraw/zinc/29/64/04/631296404.db2.gz DHWYHDIQRPUYLR-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCCOCC1)C(C)(C)C ZINC000308828233 631298192 /nfs/dbraw/zinc/29/81/92/631298192.db2.gz FEUULASDRNVECZ-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399994 631361416 /nfs/dbraw/zinc/36/14/16/631361416.db2.gz ZBWYPRXJGKDGEZ-NSHDSACASA-N 1 0 218.300 2.021 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400070 631361500 /nfs/dbraw/zinc/36/15/00/631361500.db2.gz ZYAGMARYPYOCAS-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+][C@H]3CC[C@H](C#N)C3)C2)CO1 ZINC000926201901 631415296 /nfs/dbraw/zinc/41/52/96/631415296.db2.gz HRAHAYWMPLKIOQ-HEKVYRDFSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000308649191 631465398 /nfs/dbraw/zinc/46/53/98/631465398.db2.gz IZSKFWLYQSIIIY-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000308675201 631475836 /nfs/dbraw/zinc/47/58/36/631475836.db2.gz VYUZAOYDQNCAQL-GHMZBOCLSA-N 1 0 211.374 2.377 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000308675206 631476146 /nfs/dbraw/zinc/47/61/46/631476146.db2.gz VYUZAOYDQNCAQL-WDEREUQCSA-N 1 0 211.374 2.377 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933704895 631489397 /nfs/dbraw/zinc/48/93/97/631489397.db2.gz DFCQJPNHPVJYSD-QMIVOQANSA-N 1 0 248.370 2.283 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000308698649 631529751 /nfs/dbraw/zinc/52/97/51/631529751.db2.gz HNMHAZKUNDZAKN-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO CSC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308723548 631554317 /nfs/dbraw/zinc/55/43/17/631554317.db2.gz FKHZTOAZECMXEK-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CC[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000893898956 635634972 /nfs/dbraw/zinc/63/49/72/635634972.db2.gz YFCCAPAFRGAOHH-UHFFFAOYSA-N 1 0 207.321 2.356 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC(=O)OC)C(C)(C)C ZINC000934026201 631604079 /nfs/dbraw/zinc/60/40/79/631604079.db2.gz MICXHDRFSHIVFD-JTQLQIEISA-N 1 0 213.321 2.130 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC(=O)OC)C(C)(C)C ZINC000934028780 631629996 /nfs/dbraw/zinc/62/99/96/631629996.db2.gz HYMGIXBVZAUPTI-SECBINFHSA-N 1 0 233.739 2.306 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CCc1ccc(C#N)cc1 ZINC000934110542 631685080 /nfs/dbraw/zinc/68/50/80/631685080.db2.gz ZQWDNEULNVPQRL-LSDHHAIUSA-N 1 0 244.338 2.210 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1c2ccccc2OC[C@H]1CO ZINC000934211184 631733608 /nfs/dbraw/zinc/73/36/08/631733608.db2.gz FXQZVZWMNXTDIK-IUODEOHRSA-N 1 0 247.338 2.284 20 30 BEEDRO C#CCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000308923972 631745563 /nfs/dbraw/zinc/74/55/63/631745563.db2.gz JYNIVDREONCWHS-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000308955392 631754288 /nfs/dbraw/zinc/75/42/88/631754288.db2.gz XBJKKHWIEHNNJD-MXWKQRLJSA-N 1 0 242.413 2.259 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC000972074289 631757200 /nfs/dbraw/zinc/75/72/00/631757200.db2.gz ZCLIZLKYPRGSLL-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934340652 631789954 /nfs/dbraw/zinc/78/99/54/631789954.db2.gz VYWNGWZFNGPYDK-XQQFMLRXSA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccc[nH]1 ZINC000309002072 631801795 /nfs/dbraw/zinc/80/17/95/631801795.db2.gz OLBIJFYWPNINKR-AXFHLTTASA-N 1 0 203.289 2.358 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934387015 631817425 /nfs/dbraw/zinc/81/74/25/631817425.db2.gz VURAHJZGUZRSHR-QWHCGFSZSA-N 1 0 221.344 2.480 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1cc(C)nnc1C ZINC000934459247 631847219 /nfs/dbraw/zinc/84/72/19/631847219.db2.gz BHKMQFGMDUGRBG-CYBMUJFWSA-N 1 0 217.316 2.244 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C(=O)OC)[C@@H](C)CC ZINC000934459055 631848597 /nfs/dbraw/zinc/84/85/97/631848597.db2.gz ABBMFPOPHUABRF-TUAOUCFPSA-N 1 0 225.332 2.225 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)Cc1ccc(F)cc1 ZINC000934459633 631850100 /nfs/dbraw/zinc/85/01/00/631850100.db2.gz KTMQQLARELFGOH-LSDHHAIUSA-N 1 0 249.329 2.380 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1conc1CC ZINC000934460798 631850297 /nfs/dbraw/zinc/85/02/97/631850297.db2.gz RLZWTGLYCFKPEU-LLVKDONJSA-N 1 0 206.289 2.387 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(CO)cc1 ZINC000934462514 631853704 /nfs/dbraw/zinc/85/37/04/631853704.db2.gz XDQXSGPHUAWCBQ-AWEZNQCLSA-N 1 0 217.312 2.329 20 30 BEEDRO C=CC[C@@H]1CCN1CCC[NH+](CC)CC ZINC000934461630 631857510 /nfs/dbraw/zinc/85/75/10/631857510.db2.gz NWXQYBFTYSTTDG-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000934461760 631858302 /nfs/dbraw/zinc/85/83/02/631858302.db2.gz ZJYZOGBKCBTBCT-YIYPIFLZSA-N 1 0 248.370 2.084 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152550632 631860480 /nfs/dbraw/zinc/86/04/80/631860480.db2.gz SAOJIXUCIZGQHO-NXEZZACHSA-N 1 0 248.164 2.130 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1cnc(C)cn1 ZINC000934464853 631860707 /nfs/dbraw/zinc/86/07/07/631860707.db2.gz QZVVLRLAEDESTB-NEPJUHHUSA-N 1 0 217.316 2.496 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000934465803 631862008 /nfs/dbraw/zinc/86/20/08/631862008.db2.gz OFLYXSYNRWAQNK-GJZGRUSLSA-N 1 0 242.322 2.242 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCCCCC ZINC000934470258 631863293 /nfs/dbraw/zinc/86/32/93/631863293.db2.gz ASDLYCSMGGQULY-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CC(=O)N1CCCCCC1 ZINC000934471729 631863834 /nfs/dbraw/zinc/86/38/34/631863834.db2.gz NJCVHEPWPCBXPI-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C#CCOCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000309105572 631888482 /nfs/dbraw/zinc/88/84/82/631888482.db2.gz HSEMAGYMXHPIDO-ITGUQSILSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]1CCCC[N@@H+]1CCc1ccns1 ZINC000934520198 631900308 /nfs/dbraw/zinc/90/03/08/631900308.db2.gz YESYRCXFSQLZFL-NSHDSACASA-N 1 0 220.341 2.173 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934574973 631946965 /nfs/dbraw/zinc/94/69/65/631946965.db2.gz VLDCXCAIYZGWTQ-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934574971 631947370 /nfs/dbraw/zinc/94/73/70/631947370.db2.gz VLDCXCAIYZGWTQ-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000050373142 631980348 /nfs/dbraw/zinc/98/03/48/631980348.db2.gz CAOLMVISSGSVRH-RKDXNWHRSA-N 1 0 234.137 2.052 20 30 BEEDRO C#CCOCC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309263961 631980650 /nfs/dbraw/zinc/98/06/50/631980650.db2.gz BTOZURKPOVVDFA-CYBMUJFWSA-N 1 0 235.352 2.439 20 30 BEEDRO COCC1(C[N@@H+]2CCC[C@@H](C#N)C2)CCC1 ZINC000309285503 631995598 /nfs/dbraw/zinc/99/55/98/631995598.db2.gz ONPXUQAQQGMEIA-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@@H](C)C(=O)NCC(C)C ZINC000934648786 632004460 /nfs/dbraw/zinc/00/44/60/632004460.db2.gz DWKCHOUDUMXZEP-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001028479482 635692657 /nfs/dbraw/zinc/69/26/57/635692657.db2.gz KCFAIGGSGPJWTO-ZDUSSCGKSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926483158 632117981 /nfs/dbraw/zinc/11/79/81/632117981.db2.gz RHOCSQVZYZFEOZ-MNOVXSKESA-N 1 0 234.347 2.476 20 30 BEEDRO N#CCCCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000924940920 635795151 /nfs/dbraw/zinc/79/51/51/635795151.db2.gz BXIVTUSPMAPXRM-AWEZNQCLSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)C(C)C ZINC000935026295 632421157 /nfs/dbraw/zinc/42/11/57/632421157.db2.gz SKTUCJNDJCUZBX-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000308919931 632440644 /nfs/dbraw/zinc/44/06/44/632440644.db2.gz GUCBJLXLVQCQSB-IJLUTSLNSA-N 1 0 209.333 2.049 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]CC#Cc1ccccc1 ZINC000228721581 632496404 /nfs/dbraw/zinc/49/64/04/632496404.db2.gz NBRIHHPMOKVCBV-HNNXBMFYSA-N 1 0 231.339 2.179 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000309590914 632549760 /nfs/dbraw/zinc/54/97/60/632549760.db2.gz USRIXOBZKYTLJO-ONGXEEELSA-N 1 0 240.734 2.323 20 30 BEEDRO C=C[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000309599084 632556959 /nfs/dbraw/zinc/55/69/59/632556959.db2.gz XCXZWPXICNVZHP-LLVKDONJSA-N 1 0 225.332 2.084 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(F)cccc1CC ZINC000309043357 632624111 /nfs/dbraw/zinc/62/41/11/632624111.db2.gz MRJCNFBZZPVHMB-JTQLQIEISA-N 1 0 205.276 2.499 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000309077356 632635732 /nfs/dbraw/zinc/63/57/32/632635732.db2.gz MAUANXBDEDXZKQ-AGIUHOORSA-N 1 0 211.349 2.338 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1sccc1C)[C@@H]1CCCO1 ZINC000309690425 632651901 /nfs/dbraw/zinc/65/19/01/632651901.db2.gz JCEJQQRMMQEGCU-NEPJUHHUSA-N 1 0 235.352 2.327 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000309164113 632658055 /nfs/dbraw/zinc/65/80/55/632658055.db2.gz IEEYLKGJUWEXKD-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C#N)s1 ZINC000176978537 632675174 /nfs/dbraw/zinc/67/51/74/632675174.db2.gz IXYVMFUIRHULTK-UHFFFAOYSA-N 1 0 204.298 2.123 20 30 BEEDRO C=CCC[N@H+]1C[C@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972813811 632681240 /nfs/dbraw/zinc/68/12/40/632681240.db2.gz NMJHHCMBHZAJRG-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC)c1ccccc1 ZINC000310011502 632693790 /nfs/dbraw/zinc/69/37/90/632693790.db2.gz IREZQNQEDJNQIW-CQSZACIVSA-N 1 0 217.312 2.377 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000310033704 632696277 /nfs/dbraw/zinc/69/62/77/632696277.db2.gz SCIUTCBKDLWIBK-JQWIXIFHSA-N 1 0 216.284 2.174 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1C ZINC000235586445 632794003 /nfs/dbraw/zinc/79/40/03/632794003.db2.gz QUVMETARRYZOPW-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H](C[NH3+])C2CCCC2)n1 ZINC000235827474 632837879 /nfs/dbraw/zinc/83/78/79/632837879.db2.gz WVBGSKRCWPLXFC-CYBMUJFWSA-N 1 0 244.342 2.191 20 30 BEEDRO CCCC[C@@H](CC)CNC(=[NH2+])NC1CC1 ZINC000066242790 632859607 /nfs/dbraw/zinc/85/96/07/632859607.db2.gz RJYQEQAOZFQCFB-SNVBAGLBSA-N 1 0 211.353 2.270 20 30 BEEDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000892521412 632882562 /nfs/dbraw/zinc/88/25/62/632882562.db2.gz SRBPYRJMWLCHRC-MNOVXSKESA-N 1 0 246.310 2.160 20 30 BEEDRO C#CCCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000178057586 632935540 /nfs/dbraw/zinc/93/55/40/632935540.db2.gz PIMJUHKRRHTNGE-OAHLLOKOSA-N 1 0 231.339 2.247 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cc(CO)on1 ZINC000926745473 632943459 /nfs/dbraw/zinc/94/34/59/632943459.db2.gz ITPKFXDBEVVLEX-SNVBAGLBSA-N 1 0 238.331 2.420 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926745472 632944633 /nfs/dbraw/zinc/94/46/33/632944633.db2.gz ITPKFXDBEVVLEX-JTQLQIEISA-N 1 0 238.331 2.420 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000229642042 632984501 /nfs/dbraw/zinc/98/45/01/632984501.db2.gz PHQRZFBKSCUUOD-CYBMUJFWSA-N 1 0 214.312 2.462 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000229682191 632986245 /nfs/dbraw/zinc/98/62/45/632986245.db2.gz YEJOZSBSLJAHQX-CQSZACIVSA-N 1 0 235.302 2.252 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000229836120 632992285 /nfs/dbraw/zinc/99/22/85/632992285.db2.gz HXGHRAXRLDSICN-GFCCVEGCSA-N 1 0 239.265 2.001 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000894382692 635876051 /nfs/dbraw/zinc/87/60/51/635876051.db2.gz BAQJATKGGOZBFU-SSDOTTSWSA-N 1 0 248.273 2.359 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1[C@H]1CCCCN1C(C)=O ZINC001025179291 633072340 /nfs/dbraw/zinc/07/23/40/633072340.db2.gz MARCKWIKUNCQGJ-UONOGXRCSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OC)cn1)C(C)(C)C ZINC000894517279 635905323 /nfs/dbraw/zinc/90/53/23/635905323.db2.gz GYGQKJVDRIAYLT-ZDUSSCGKSA-N 1 0 232.327 2.228 20 30 BEEDRO C[NH+](C)CCNc1ccc(C#N)cc1Cl ZINC000062790699 633111600 /nfs/dbraw/zinc/11/16/00/633111600.db2.gz FCKGYZNUEHLTTO-UHFFFAOYSA-N 1 0 223.707 2.185 20 30 BEEDRO CCOc1cccc(C[NH2+]CC(C)(C)C#N)c1O ZINC000168929631 633152821 /nfs/dbraw/zinc/15/28/21/633152821.db2.gz WFAKDYKOADQIHX-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO CCCCCCC[NH+]1CCC(OCCO)CC1 ZINC000168896785 633153435 /nfs/dbraw/zinc/15/34/35/633153435.db2.gz WFYWPOQPXNCHRR-UHFFFAOYSA-N 1 0 243.391 2.430 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)NCC ZINC000309485133 633163624 /nfs/dbraw/zinc/16/36/24/633163624.db2.gz VENYLTYDKBLCAX-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO CN(C)C(=[NH2+])NCC12CC3CC(CC(C3)C1)C2 ZINC000170905714 633176730 /nfs/dbraw/zinc/17/67/30/633176730.db2.gz FEWWCAADUNJYAQ-UHFFFAOYSA-N 1 0 235.375 2.079 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCc2ccccc2C1 ZINC000851773128 633183246 /nfs/dbraw/zinc/18/32/46/633183246.db2.gz JJHOVCRDPDLHJY-INIZCTEOSA-N 1 0 243.350 2.126 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000894737996 635919165 /nfs/dbraw/zinc/91/91/65/635919165.db2.gz MDMPPHPOGHRBLR-NSHDSACASA-N 1 0 243.310 2.016 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cc(CO)on2)CC1 ZINC000926841236 633210807 /nfs/dbraw/zinc/21/08/07/633210807.db2.gz XZKAEBIAICUHHI-SRVKXCTJSA-N 1 0 248.326 2.010 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000171801525 633210899 /nfs/dbraw/zinc/21/08/99/633210899.db2.gz MMYDKHHMHPFIDF-YPMHNXCESA-N 1 0 245.370 2.419 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)N(C)OC ZINC000895046663 636019497 /nfs/dbraw/zinc/01/94/97/636019497.db2.gz PPXRPRZCUVCCJO-GFCCVEGCSA-N 1 0 242.363 2.121 20 30 BEEDRO C#CCCC[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000163155034 636035403 /nfs/dbraw/zinc/03/54/03/636035403.db2.gz VCRLJTWCVLVGAM-KGLIPLIRSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000895116693 636064158 /nfs/dbraw/zinc/06/41/58/636064158.db2.gz VXYOCQNMEAGEOQ-UHFFFAOYSA-N 1 0 243.354 2.453 20 30 BEEDRO C#CC[N@H+]1CCN(c2ccccc2)C[C@@H]1CC ZINC000184013227 636054871 /nfs/dbraw/zinc/05/48/71/636054871.db2.gz QJFIWLQIGBNKRE-AWEZNQCLSA-N 1 0 228.339 2.220 20 30 BEEDRO C=CCSCC[NH2+]C[C@H](O)c1ccccc1 ZINC000231942411 636058433 /nfs/dbraw/zinc/05/84/33/636058433.db2.gz NQMOFYWBFVCCRO-ZDUSSCGKSA-N 1 0 237.368 2.229 20 30 BEEDRO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157759 636099354 /nfs/dbraw/zinc/09/93/54/636099354.db2.gz FMCKSUWGZUWFOO-SDDRHHMPSA-N 1 0 242.363 2.171 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000320146864 636116484 /nfs/dbraw/zinc/11/64/84/636116484.db2.gz CGJUAYQQGZKSJS-NDBYEHHHSA-N 1 0 209.333 2.092 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)cc1 ZINC000895439020 636143217 /nfs/dbraw/zinc/14/32/17/636143217.db2.gz SJGUAYPIMWPHCV-HZPDHXFCSA-N 1 0 243.350 2.403 20 30 BEEDRO C=C[C@@H](CC)OC(=O)C12CCC[NH+](CCC1)C2 ZINC000892926127 633729328 /nfs/dbraw/zinc/72/93/28/633729328.db2.gz JCZIGVPZDBCWOU-LBPRGKRZSA-N 1 0 237.343 2.370 20 30 BEEDRO C[C@H]1CCC[C@]1(O)C[NH2+]CC#Cc1ccccc1 ZINC000328170316 633740569 /nfs/dbraw/zinc/74/05/69/633740569.db2.gz KJVGKANSVJCGJU-HOCLYGCPSA-N 1 0 243.350 2.179 20 30 BEEDRO N#CCCCC[NH2+]C1CC(C(F)F)C1 ZINC000308538086 633747625 /nfs/dbraw/zinc/74/76/25/633747625.db2.gz HDDDHGWTRZLBKH-UHFFFAOYSA-N 1 0 202.248 2.314 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000328258340 633748237 /nfs/dbraw/zinc/74/82/37/633748237.db2.gz KUWVQHYNBWIKBL-RRFJBIMHSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000309801863 633755656 /nfs/dbraw/zinc/75/56/56/633755656.db2.gz RIFXTGKTJDKPSN-OCCSQVGLSA-N 1 0 223.360 2.177 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCC[C@H]2CCCO)CC1 ZINC000926874581 633759884 /nfs/dbraw/zinc/75/98/84/633759884.db2.gz RENGMZGMHCCFFR-STQMWFEESA-N 1 0 236.359 2.211 20 30 BEEDRO CC1(CNC(=[NH2+])NCCc2ccccc2)CCC1 ZINC000175671526 633787329 /nfs/dbraw/zinc/78/73/29/633787329.db2.gz BKVZKYDGKQRWPX-UHFFFAOYSA-N 1 0 245.370 2.324 20 30 BEEDRO C#CCCCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925525368 633903285 /nfs/dbraw/zinc/90/32/85/633903285.db2.gz AKXZQUIWGIMSPK-IYXRBSQSSA-N 1 0 221.344 2.337 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CCCCC#N)n(C)n1 ZINC000309381903 633904639 /nfs/dbraw/zinc/90/46/39/633904639.db2.gz DKCWSJZYFRWMCS-LLVKDONJSA-N 1 0 220.320 2.073 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925528634 633915817 /nfs/dbraw/zinc/91/58/17/633915817.db2.gz UCPVNWHSAMHXSM-ITGUQSILSA-N 1 0 209.333 2.051 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925529241 633918721 /nfs/dbraw/zinc/91/87/21/633918721.db2.gz XEFZCCFEYXZKRX-UONOGXRCSA-N 1 0 223.360 2.441 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000925531775 633926306 /nfs/dbraw/zinc/92/63/06/633926306.db2.gz NTTVCGWIJHJMQX-KBPBESRZSA-N 1 0 243.391 2.498 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000309513577 633940337 /nfs/dbraw/zinc/94/03/37/633940337.db2.gz QLJCPMPMWZNFPE-ZJUUUORDSA-N 1 0 219.263 2.003 20 30 BEEDRO C#C[C@H]([NH2+]CC1CCCCC1)[C@H]1CCCO1 ZINC000309544737 633949071 /nfs/dbraw/zinc/94/90/71/633949071.db2.gz HPOLXQAXVFHNCR-UONOGXRCSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000309599085 633964230 /nfs/dbraw/zinc/96/42/30/633964230.db2.gz XCXZWPXICNVZHP-NSHDSACASA-N 1 0 225.332 2.084 20 30 BEEDRO C#C[C@H]([NH2+]Cc1nc2c(s1)CCC2)C(C)C ZINC000309603431 633969835 /nfs/dbraw/zinc/96/98/35/633969835.db2.gz KRRPXCFPRQGMGP-JTQLQIEISA-N 1 0 234.368 2.379 20 30 BEEDRO C#CCC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000309801861 634012261 /nfs/dbraw/zinc/01/22/61/634012261.db2.gz RIFXTGKTJDKPSN-GXTWGEPZSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H](C)CCCC ZINC000895489320 636150243 /nfs/dbraw/zinc/15/02/43/636150243.db2.gz BAUGOVGMNFBZGA-YNEHKIRRSA-N 1 0 211.349 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@H](C)CCCC ZINC000895489316 636150637 /nfs/dbraw/zinc/15/06/37/636150637.db2.gz BAUGOVGMNFBZGA-FRRDWIJNSA-N 1 0 211.349 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000895490503 636151733 /nfs/dbraw/zinc/15/17/33/636151733.db2.gz QJOQGOZXROIKBC-FVCCEPFGSA-N 1 0 249.379 2.214 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000895490614 636151798 /nfs/dbraw/zinc/15/17/98/636151798.db2.gz RIAVHACCURWJOC-UKRRQHHQSA-N 1 0 231.339 2.072 20 30 BEEDRO C#CCC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000309889925 634035981 /nfs/dbraw/zinc/03/59/81/634035981.db2.gz ZXCWDQCORVWIOY-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)CCCC ZINC000310005076 634067672 /nfs/dbraw/zinc/06/76/72/634067672.db2.gz GHDYKVZKHYLXNH-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=C[C@H](CC)CC(=O)OCCC[NH+](C)C ZINC000909525950 636168285 /nfs/dbraw/zinc/16/82/85/636168285.db2.gz STVVDXIZBIGFTO-LLVKDONJSA-N 1 0 213.321 2.084 20 30 BEEDRO CCCCCCC[NH2+]C1(C(N)=O)CCCC1 ZINC000310021011 634080599 /nfs/dbraw/zinc/08/05/99/634080599.db2.gz NGSYQTLSLSCQLH-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C1COC(C)(C)OC1 ZINC000310027344 634089534 /nfs/dbraw/zinc/08/95/34/634089534.db2.gz PZJFZXHDWCHDJU-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO N#Cc1cncc(C[N@H+]2CC[C@]3(CC3(F)F)C2)c1 ZINC000930865821 634143982 /nfs/dbraw/zinc/14/39/82/634143982.db2.gz GSOWNLNUMVSFTJ-LBPRGKRZSA-N 1 0 249.264 2.184 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2snnc2C)C1 ZINC000930884219 634154322 /nfs/dbraw/zinc/15/43/22/634154322.db2.gz ABERCPCOJDLVMV-WDEREUQCSA-N 1 0 235.356 2.253 20 30 BEEDRO C=C(C)CNC(=[NH2+])Nc1ccc(OC)c(OC)c1 ZINC000162453572 634162131 /nfs/dbraw/zinc/16/21/31/634162131.db2.gz LZKSHSUCVZPJIQ-UHFFFAOYSA-N 1 0 249.314 2.007 20 30 BEEDRO C=CC[NH2+]C1CCC(NC(=O)c2ccco2)CC1 ZINC001026443796 634177784 /nfs/dbraw/zinc/17/77/84/634177784.db2.gz QKJVGOXZTMKKLO-UHFFFAOYSA-N 1 0 248.326 2.096 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000162587590 634216284 /nfs/dbraw/zinc/21/62/84/634216284.db2.gz RCUFVQHDIJPOLH-BBBLOLIVSA-N 1 0 215.724 2.142 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191910355 634223953 /nfs/dbraw/zinc/22/39/53/634223953.db2.gz RJDMGYOZXYCBHS-LBPRGKRZSA-N 1 0 237.343 2.370 20 30 BEEDRO C#CC1(O)CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000931149735 634228180 /nfs/dbraw/zinc/22/81/80/634228180.db2.gz RSQSDGBSIPSOJW-UHFFFAOYSA-N 1 0 233.355 2.027 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000162697662 634282511 /nfs/dbraw/zinc/28/25/11/634282511.db2.gz GGHVRFRRDJXGSM-SSDOTTSWSA-N 1 0 213.712 2.046 20 30 BEEDRO CC(C)(CC#N)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925692411 634325350 /nfs/dbraw/zinc/32/53/50/634325350.db2.gz KDKDPGSRHQBPRK-LBPRGKRZSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925697936 634363341 /nfs/dbraw/zinc/36/33/41/634363341.db2.gz PUGPMPXBZWOXFE-IGQOVBAYSA-N 1 0 221.344 2.115 20 30 BEEDRO C[NH+](C)C1(C)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000931353156 634370256 /nfs/dbraw/zinc/37/02/56/634370256.db2.gz ZYPJZZQHZABSEP-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)CC[NH+]1CCC(NC[C@@H](C)C#N)CC1 ZINC000893545254 635127850 /nfs/dbraw/zinc/12/78/50/635127850.db2.gz QXVHORGWVFUNLX-ZDUSSCGKSA-N 1 0 237.391 2.246 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]C[C@H](C)C#N)C[C@@H]1OC ZINC000893545645 635131788 /nfs/dbraw/zinc/13/17/88/635131788.db2.gz VIBMGAQCGDZUDI-UTUOFQBUSA-N 1 0 224.348 2.329 20 30 BEEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](C)C#N)C1(C)C ZINC000893545633 635133097 /nfs/dbraw/zinc/13/30/97/635133097.db2.gz VAOXIIDNUHDOJK-IJLUTSLNSA-N 1 0 224.348 2.328 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1 ZINC001027752941 635135006 /nfs/dbraw/zinc/13/50/06/635135006.db2.gz JITGNEGBQBOSMY-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO N#CC1CCC([NH2+]CCc2cccnc2)CC1 ZINC000258937504 635226930 /nfs/dbraw/zinc/22/69/30/635226930.db2.gz ZVWZSXJFHBYBKN-UHFFFAOYSA-N 1 0 229.327 2.296 20 30 BEEDRO C#CC[N@@H+](CC1CCC(OC)CC1)C1CC1 ZINC000893610905 635244191 /nfs/dbraw/zinc/24/41/91/635244191.db2.gz DSZZMBMMDZMYCQ-UHFFFAOYSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1C[C@]1(C)Br)C1CC1 ZINC000893613110 635261643 /nfs/dbraw/zinc/26/16/43/635261643.db2.gz XKUOBALXHVJHHB-ONGXEEELSA-N 1 0 242.160 2.258 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC000980726889 635263194 /nfs/dbraw/zinc/26/31/94/635263194.db2.gz CIZLSFHDBUUBKC-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccco2)C1 ZINC000980868467 635292858 /nfs/dbraw/zinc/29/28/58/635292858.db2.gz HJCIVHRAJRTBOG-RYUDHWBXSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccoc2)C1 ZINC000980913495 635299463 /nfs/dbraw/zinc/29/94/63/635299463.db2.gz BYFWSPHHXAFAHW-STQMWFEESA-N 1 0 248.326 2.096 20 30 BEEDRO Cc1ncoc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000260113934 635305393 /nfs/dbraw/zinc/30/53/93/635305393.db2.gz QNFMCWQEKOZHBH-LLVKDONJSA-N 1 0 219.288 2.109 20 30 BEEDRO C=CCC[N@@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000980964052 635306710 /nfs/dbraw/zinc/30/67/10/635306710.db2.gz HUTARKXTURBHNP-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC000980980434 635308265 /nfs/dbraw/zinc/30/82/65/635308265.db2.gz PFUHPZSNRJWJIU-KGLIPLIRSA-N 1 0 248.370 2.156 20 30 BEEDRO CC[C@@H](CO)[NH2+]CCC1(C#N)CCCCC1 ZINC000931771362 635334587 /nfs/dbraw/zinc/33/45/87/635334587.db2.gz FMCVDZWVNQZHDU-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C=C(Cl)CN1CC[C@@H](C[NH+](CC)CC)C1 ZINC000076004900 635364602 /nfs/dbraw/zinc/36/46/02/635364602.db2.gz FDQGWFCQSHBASZ-LBPRGKRZSA-N 1 0 230.783 2.403 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000981475811 635364940 /nfs/dbraw/zinc/36/49/40/635364940.db2.gz NRBTWLARWWWJKE-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2nccn2C1 ZINC000925814998 635378751 /nfs/dbraw/zinc/37/87/51/635378751.db2.gz RTDXZPATVDGBQJ-VXGBXAGGSA-N 1 0 246.358 2.116 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000250827058 635498996 /nfs/dbraw/zinc/49/89/96/635498996.db2.gz OCCRAVBIMLMUFX-KGLIPLIRSA-N 1 0 243.391 2.429 20 30 BEEDRO C=C(CC)C[N@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC000932058407 635547000 /nfs/dbraw/zinc/54/70/00/635547000.db2.gz NQCWSLVPLZLYDF-FRRDWIJNSA-N 1 0 237.343 2.084 20 30 BEEDRO CCCCCCCCN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250819710 635701277 /nfs/dbraw/zinc/70/12/77/635701277.db2.gz KTGAMBNLMBWENV-KBPBESRZSA-N 1 0 242.407 2.395 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C[C@@]1(C)CCCS1 ZINC000320279757 636191370 /nfs/dbraw/zinc/19/13/70/636191370.db2.gz NNOSPWINZJCHHK-NWDGAFQWSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)CC(C)C)CC1 ZINC000985224916 636264523 /nfs/dbraw/zinc/26/45/23/636264523.db2.gz RSJOSKMEZXMKND-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)c2ccco2)CC1 ZINC000985215189 636264796 /nfs/dbraw/zinc/26/47/96/636264796.db2.gz KZEWDIXCXBEZEU-UHFFFAOYSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C(C)C[N@@H+](C)C1CCN(C(=O)CCC)CC1 ZINC000985214005 636265920 /nfs/dbraw/zinc/26/59/20/636265920.db2.gz VOCMWIYMAHXEHT-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@@H+](C)C1CCN(C(=O)C(C)C)CC1 ZINC000985274540 636274217 /nfs/dbraw/zinc/27/42/17/636274217.db2.gz OUOZDJPHZCJGGC-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000985275528 636274323 /nfs/dbraw/zinc/27/43/23/636274323.db2.gz BXRQUBQCXCDRQU-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)C=C2CCC2)CC1 ZINC000985372701 636285084 /nfs/dbraw/zinc/28/50/84/636285084.db2.gz ZOHAWVBHFIGSRV-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)C2=CCCC2)CC1 ZINC000985373519 636285495 /nfs/dbraw/zinc/28/54/95/636285495.db2.gz OMACHODLPYRNGC-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cc2ccccc2[nH]1 ZINC000303970490 636318240 /nfs/dbraw/zinc/31/82/40/636318240.db2.gz CQEMVEAYOZHEIM-UHFFFAOYSA-N 1 0 244.342 2.372 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000304207826 636319947 /nfs/dbraw/zinc/31/99/47/636319947.db2.gz DHKGSXJCNJOQAY-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO Cc1cccc([C@H](C)CNC(=[NH2+])NC2CC2)c1 ZINC000304390700 636322518 /nfs/dbraw/zinc/32/25/18/636322518.db2.gz UIEIDYXLVYOOFG-LLVKDONJSA-N 1 0 231.343 2.165 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000925161186 636344077 /nfs/dbraw/zinc/34/40/77/636344077.db2.gz ISKICKVVESKKRP-KBPBESRZSA-N 1 0 223.360 2.321 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)[C@H]1C ZINC000986099535 636503919 /nfs/dbraw/zinc/50/39/19/636503919.db2.gz FHSPVSCUINELPX-XFUXEANSSA-N 1 0 248.370 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ZINC000911819274 639835604 /nfs/dbraw/zinc/83/56/04/639835604.db2.gz OTEDJJNHSVHXIQ-NWDGAFQWSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(F)nc1 ZINC000930638617 639838312 /nfs/dbraw/zinc/83/83/12/639838312.db2.gz IWGWIDCMUXCIJF-JLLWLGSASA-N 1 0 236.290 2.215 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911830850 639842646 /nfs/dbraw/zinc/84/26/46/639842646.db2.gz HZZKLWWEKRUPHG-WCQYABFASA-N 1 0 226.364 2.078 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CC(C)C1 ZINC000930647147 639843321 /nfs/dbraw/zinc/84/33/21/639843321.db2.gz VTDJXZYJOUFNDJ-TUUUFIMRSA-N 1 0 209.333 2.356 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930683307 639861219 /nfs/dbraw/zinc/86/12/19/639861219.db2.gz BSZGNJDCFJJEGM-UHFFFAOYSA-N 1 0 237.391 2.246 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](COC)C(C)C ZINC000930691830 639862639 /nfs/dbraw/zinc/86/26/39/639862639.db2.gz AHXUTEFLPYDKGI-VXGBXAGGSA-N 1 0 212.337 2.187 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCSc1ccncc1 ZINC000930692563 639863324 /nfs/dbraw/zinc/86/33/24/639863324.db2.gz APPCRQKQJHTSMI-NSHDSACASA-N 1 0 235.356 2.456 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C[NH3+])CCCC ZINC000911882794 639867000 /nfs/dbraw/zinc/86/70/00/639867000.db2.gz WVPMTVXHAPRPKT-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)CC1 ZINC000930702613 639869058 /nfs/dbraw/zinc/86/90/58/639869058.db2.gz UDGIUBWEBQIKAC-CVSAEHQPSA-N 1 0 248.370 2.427 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000911907243 639887026 /nfs/dbraw/zinc/88/70/26/639887026.db2.gz IZNOSIVAJWFWFM-ZDUSSCGKSA-N 1 0 232.327 2.333 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000930819210 639923271 /nfs/dbraw/zinc/92/32/71/639923271.db2.gz UPAQHAYLSJORBI-NEXFUWMNSA-N 1 0 248.370 2.163 20 30 BEEDRO Cc1ccc(C2([NH2+]C[C@H](O)CC#N)CCC2)cc1 ZINC000930827838 639927093 /nfs/dbraw/zinc/92/70/93/639927093.db2.gz WVOONFCXXYQKMB-CQSZACIVSA-N 1 0 244.338 2.238 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@@H](C)CCO ZINC000930864634 639956741 /nfs/dbraw/zinc/95/67/41/639956741.db2.gz YAYTYFIUXIQAKP-ZDUSSCGKSA-N 1 0 246.354 2.378 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000930885080 639970450 /nfs/dbraw/zinc/97/04/50/639970450.db2.gz JNIHAOFOUFMOHR-ZIAGYGMSSA-N 1 0 223.360 2.250 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000930885077 639970723 /nfs/dbraw/zinc/97/07/23/639970723.db2.gz JNIHAOFOUFMOHR-UONOGXRCSA-N 1 0 223.360 2.250 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2c(C)noc2CC)C1 ZINC000930886979 639972400 /nfs/dbraw/zinc/97/24/00/639972400.db2.gz VJSDQVPHLGXXAE-GFCCVEGCSA-N 1 0 232.327 2.391 20 30 BEEDRO C[C@@H](O)C[N@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000930891967 639975835 /nfs/dbraw/zinc/97/58/35/639975835.db2.gz MYGPJSTYXBEMMM-PNESKVBLSA-N 1 0 236.359 2.162 20 30 BEEDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC000930921803 639990674 /nfs/dbraw/zinc/99/06/74/639990674.db2.gz ICCHEWLBWDBZMG-LBPRGKRZSA-N 1 0 232.331 2.152 20 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248.326 2.048 20 30 BEEDRO C#CC1(O)CC[NH+]([C@@H](C)c2ccc(F)cc2)CC1 ZINC000931142291 640072233 /nfs/dbraw/zinc/07/22/33/640072233.db2.gz ONAHEAYGPTUIGA-LBPRGKRZSA-N 1 0 247.313 2.347 20 30 BEEDRO C#CC1(O)CC[NH+](CCCC2CCCC2)CC1 ZINC000931146016 640077533 /nfs/dbraw/zinc/07/75/33/640077533.db2.gz RPEACNJMHQCOOG-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccccc2CF)CC1 ZINC000931153598 640080261 /nfs/dbraw/zinc/08/02/61/640080261.db2.gz IXUCCOMIIXQQOU-UHFFFAOYSA-N 1 0 247.313 2.116 20 30 BEEDRO C#CC1(O)CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000931151441 640080681 /nfs/dbraw/zinc/08/06/81/640080681.db2.gz UTONEGQDIUPSOO-OAHLLOKOSA-N 1 0 241.334 2.134 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2noc3c2COCC3)C1 ZINC000931164015 640084560 /nfs/dbraw/zinc/08/45/60/640084560.db2.gz SPTCOZAWUXJMMM-NSHDSACASA-N 1 0 248.326 2.145 20 30 BEEDRO C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924846185 640087409 /nfs/dbraw/zinc/08/74/09/640087409.db2.gz LOWYITHIXIRXOK-RYUDHWBXSA-N 1 0 246.358 2.326 20 30 BEEDRO C=CCSCCNC(NC(C)(C)C)=[NH+]CC ZINC000912498844 640094818 /nfs/dbraw/zinc/09/48/18/640094818.db2.gz KDVXRLHKVIPFKV-UHFFFAOYSA-N 1 0 243.420 2.259 20 30 BEEDRO C=CCC1([NH2+]CC[N+](=O)[O-])CCCCC1 ZINC000931189040 640095749 /nfs/dbraw/zinc/09/57/49/640095749.db2.gz CCPZMYDOEYGDLZ-UHFFFAOYSA-N 1 0 212.293 2.132 20 30 BEEDRO C=C(C)CNC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912498852 640096244 /nfs/dbraw/zinc/09/62/44/640096244.db2.gz KOJUQKJKCZBDAW-UHFFFAOYSA-N 1 0 223.364 2.306 20 30 BEEDRO C=CCNC(NC(C)(C)C)=[NH+]CCCSC ZINC000912508492 640101469 /nfs/dbraw/zinc/10/14/69/640101469.db2.gz PIUOPFWHRFNZRN-UHFFFAOYSA-N 1 0 243.420 2.259 20 30 BEEDRO CS[C@H](C)CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509520 640101790 /nfs/dbraw/zinc/10/17/90/640101790.db2.gz JSYPXVFGORNVKP-SNVBAGLBSA-N 1 0 245.436 2.480 20 30 BEEDRO C=C(Cl)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931305718 640141778 /nfs/dbraw/zinc/14/17/78/640141778.db2.gz BXAYTNXYQHKYGB-RYUDHWBXSA-N 1 0 228.767 2.013 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H](c2c[nH]c3ncccc23)C1 ZINC000931365887 640169636 /nfs/dbraw/zinc/16/96/36/640169636.db2.gz LASGDLHPPIEALA-LBPRGKRZSA-N 1 0 239.322 2.376 20 30 BEEDRO C=C(Cl)C[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931457229 640212588 /nfs/dbraw/zinc/21/25/88/640212588.db2.gz VZTGTDFLZUWZOO-SSDOTTSWSA-N 1 0 211.696 2.081 20 30 BEEDRO C=CCCC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931457714 640212602 /nfs/dbraw/zinc/21/26/02/640212602.db2.gz AKAUOJSPAFZNAC-SNVBAGLBSA-N 1 0 205.305 2.295 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)Cc2c[nH]nc21 ZINC000931460604 640220683 /nfs/dbraw/zinc/22/06/83/640220683.db2.gz JSMPTSLSRLWWGB-CKYFFXLPSA-N 1 0 230.315 2.021 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)Cc2c[nH]nc21 ZINC000931460607 640221464 /nfs/dbraw/zinc/22/14/64/640221464.db2.gz JSMPTSLSRLWWGB-SCVCMEIPSA-N 1 0 230.315 2.021 20 30 BEEDRO C=CCC1(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CCC1 ZINC000912910195 640236996 /nfs/dbraw/zinc/23/69/96/640236996.db2.gz LZPRPFWWMAZNHE-ZDUSSCGKSA-N 1 0 248.370 2.039 20 30 BEEDRO CCCCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000912971928 640269049 /nfs/dbraw/zinc/26/90/49/640269049.db2.gz SBWRRSGZTJSUCY-UHFFFAOYSA-N 1 0 238.375 2.169 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CO)Cc1ccccc1OC ZINC000931605193 640285196 /nfs/dbraw/zinc/28/51/96/640285196.db2.gz JDORTEWQQCUZED-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C#CCCC[N@@H+]1CCc2nc[nH]c2C12CCC2 ZINC000931680440 640311818 /nfs/dbraw/zinc/31/18/18/640311818.db2.gz XBHHQMVWJCUJAM-UHFFFAOYSA-N 1 0 229.327 2.060 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(O)ccc1C ZINC000913152405 640313301 /nfs/dbraw/zinc/31/33/01/640313301.db2.gz KJZBOWBMDGBYJW-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO CCCCCCNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151241331 640349726 /nfs/dbraw/zinc/34/97/26/640349726.db2.gz UEPMVXVXDGDMNC-ZDUSSCGKSA-N 1 0 241.379 2.040 20 30 BEEDRO CC[C@H](CO)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000931768580 640361299 /nfs/dbraw/zinc/36/12/99/640361299.db2.gz RYWOQYKRJDVNLG-CYBMUJFWSA-N 1 0 246.354 2.348 20 30 BEEDRO CC[C@H](CO)[NH2+]CCC1(C#N)CCCCC1 ZINC000931771360 640364991 /nfs/dbraw/zinc/36/49/91/640364991.db2.gz FMCVDZWVNQZHDU-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO Cc1nc([C@@H]2CC[N@H+](CCC(C)(C)C#N)C2)no1 ZINC000931937741 640394886 /nfs/dbraw/zinc/39/48/86/640394886.db2.gz BAWDOUHVXGUWHK-LLVKDONJSA-N 1 0 248.330 2.107 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931998857 640406620 /nfs/dbraw/zinc/40/66/20/640406620.db2.gz BBDFNOOXKNVWGA-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CCC)CC[NH+](C)C ZINC000932035394 640414927 /nfs/dbraw/zinc/41/49/27/640414927.db2.gz WMHFHUHVZZBXKJ-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CCC)CC[NH+](C)C ZINC000932035395 640415380 /nfs/dbraw/zinc/41/53/80/640415380.db2.gz WMHFHUHVZZBXKJ-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000932070751 640418552 /nfs/dbraw/zinc/41/85/52/640418552.db2.gz BSHGOELJDQFREK-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@@H](CC(C)C)CN1CCC[C@@H](C#N)C1 ZINC000932155236 640434140 /nfs/dbraw/zinc/43/41/40/640434140.db2.gz ZLFWHYBFTLAAPM-STQMWFEESA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932137020 640437566 /nfs/dbraw/zinc/43/75/66/640437566.db2.gz SJBCIRVMUBBVTC-QWHCGFSZSA-N 1 0 246.358 2.292 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@]2(C)C=CCC2)CC1 ZINC000932141395 640437869 /nfs/dbraw/zinc/43/78/69/640437869.db2.gz XXWHKHOBSWSONP-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932141630 640438518 /nfs/dbraw/zinc/43/85/18/640438518.db2.gz OXBZNUKLRNZZQY-UHFFFAOYSA-N 1 0 219.332 2.176 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000932203932 640452170 /nfs/dbraw/zinc/45/21/70/640452170.db2.gz NCQOKKSZDUAOLX-GFCCVEGCSA-N 1 0 234.368 2.421 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1ccnn1C ZINC000932262854 640461640 /nfs/dbraw/zinc/46/16/40/640461640.db2.gz RWVNZPBASOGZJC-GFCCVEGCSA-N 1 0 205.305 2.133 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164361930 640471915 /nfs/dbraw/zinc/47/19/15/640471915.db2.gz IXLFHBOAOVTAQU-WDEREUQCSA-N 1 0 240.347 2.160 20 30 BEEDRO Cc1cccc(C[NH2+]CC(C)(C)C#N)c1O ZINC000164685080 640498790 /nfs/dbraw/zinc/49/87/90/640498790.db2.gz HNVJSNDFMAUIAI-UHFFFAOYSA-N 1 0 218.300 2.340 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932378263 640506233 /nfs/dbraw/zinc/50/62/33/640506233.db2.gz RPFPSHPYNNVHPD-DZGCQCFKSA-N 1 0 246.354 2.449 20 30 BEEDRO C#CC[N@H+](Cc1ccnc(F)c1)C(C)C ZINC000932382768 640508445 /nfs/dbraw/zinc/50/84/45/640508445.db2.gz BRDGEEPPAWZZGG-UHFFFAOYSA-N 1 0 206.264 2.064 20 30 BEEDRO C#CC[N@H+](C[C@H](O)c1cccc(C)c1)C(C)C ZINC000932383593 640509751 /nfs/dbraw/zinc/50/97/51/640509751.db2.gz INPBDEQRHMOSBL-HNNXBMFYSA-N 1 0 231.339 2.372 20 30 BEEDRO C#CC[N@@H+](C[C@@H](COC)C(C)C)C(C)C ZINC000932383221 640511247 /nfs/dbraw/zinc/51/12/47/640511247.db2.gz HLKXRIHYFMKSKD-ZDUSSCGKSA-N 1 0 211.349 2.249 20 30 BEEDRO C#CC[N@H+](C[C@H](O)CC1CCCC1)C(C)C ZINC000932388900 640516670 /nfs/dbraw/zinc/51/66/70/640516670.db2.gz ZNGZXAYLEIQAQL-CQSZACIVSA-N 1 0 223.360 2.271 20 30 BEEDRO C#CC[N@@H+](C/C=C(\C)COC)C(C)(C)C ZINC000932459982 640531384 /nfs/dbraw/zinc/53/13/84/640531384.db2.gz CSZZIAXLRGATES-XYOKQWHBSA-N 1 0 209.333 2.313 20 30 BEEDRO C#CC[N@@H+](C/C=C(/C)COC)C(C)(C)C ZINC000932459981 640532002 /nfs/dbraw/zinc/53/20/02/640532002.db2.gz CSZZIAXLRGATES-WQLSENKSSA-N 1 0 209.333 2.313 20 30 BEEDRO C#CC[N@@H+](CCn1nc(C)cc1C)C(C)(C)C ZINC000932461951 640534168 /nfs/dbraw/zinc/53/41/68/640534168.db2.gz MRLWXOIBHBQOEA-UHFFFAOYSA-N 1 0 233.359 2.234 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)nc1)C(C)(C)C ZINC000932462648 640535689 /nfs/dbraw/zinc/53/56/89/640535689.db2.gz BTANCOPGHYFXLU-UHFFFAOYSA-N 1 0 232.327 2.324 20 30 BEEDRO C#CC[N@H+](C[C@H](O)CCC=C)C(C)(C)C ZINC000932465924 640536755 /nfs/dbraw/zinc/53/67/55/640536755.db2.gz ZOKMOBVKTNLCNX-GFCCVEGCSA-N 1 0 209.333 2.047 20 30 BEEDRO C#CC[N@@H+](CCC(=O)NCCCC)C(C)(C)C ZINC000932464154 640537658 /nfs/dbraw/zinc/53/76/58/640537658.db2.gz NJKQYWDPACOHBE-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)CCC=C)C(C)(C)C ZINC000932465925 640538255 /nfs/dbraw/zinc/53/82/55/640538255.db2.gz ZOKMOBVKTNLCNX-LBPRGKRZSA-N 1 0 209.333 2.047 20 30 BEEDRO C#CC[N@H+](Cc1cncc(F)c1)C(C)(C)C ZINC000932464226 640538921 /nfs/dbraw/zinc/53/89/21/640538921.db2.gz VUYQVKGLHAIAMJ-UHFFFAOYSA-N 1 0 220.291 2.454 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1COC[C@@H]1C ZINC000932489976 640553465 /nfs/dbraw/zinc/55/34/65/640553465.db2.gz UTCZDIZTZUDIRN-WFASDCNBSA-N 1 0 244.338 2.300 20 30 BEEDRO C[C@H]1COC[C@@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000932490468 640553737 /nfs/dbraw/zinc/55/37/37/640553737.db2.gz XJNVBFIJUXBBRC-FZMZJTMJSA-N 1 0 249.741 2.316 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1COC[C@@H]1C ZINC000932489975 640553877 /nfs/dbraw/zinc/55/38/77/640553877.db2.gz UTCZDIZTZUDIRN-SWLSCSKDSA-N 1 0 244.338 2.300 20 30 BEEDRO C[C@H]1COC[C@@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000932492998 640556400 /nfs/dbraw/zinc/55/64/00/640556400.db2.gz WAAUQVFAOLZSGE-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C#CC[NH+]1CCC(c2nc3c(s2)CCC3)CC1 ZINC000932622607 640588002 /nfs/dbraw/zinc/58/80/02/640588002.db2.gz SSXNWSIFPSAPHU-UHFFFAOYSA-N 1 0 246.379 2.444 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H](C)C=C)cc1 ZINC000165865183 640597592 /nfs/dbraw/zinc/59/75/92/640597592.db2.gz PDBCWSMJINFJPZ-GFCCVEGCSA-N 1 0 215.296 2.363 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc(N(C)C)s1 ZINC000165941194 640599994 /nfs/dbraw/zinc/59/99/94/640599994.db2.gz DVLWRAXWTYDDEQ-UHFFFAOYSA-N 1 0 237.372 2.102 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccccc1OCC=C ZINC000166378243 640633674 /nfs/dbraw/zinc/63/36/74/640633674.db2.gz VYYDXFRIEYHWGN-GFCCVEGCSA-N 1 0 215.296 2.363 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000157206717 640638775 /nfs/dbraw/zinc/63/87/75/640638775.db2.gz TYQVRZBMKVHCNQ-GFCCVEGCSA-N 1 0 242.322 2.097 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932887827 640640799 /nfs/dbraw/zinc/64/07/99/640640799.db2.gz UCQJEOWOPREEBO-HUUCEWRRSA-N 1 0 233.355 2.147 20 30 BEEDRO N#CCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932898389 640643253 /nfs/dbraw/zinc/64/32/53/640643253.db2.gz PWZJGWVRACEWQK-CHWSQXEVSA-N 1 0 204.317 2.411 20 30 BEEDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC#N ZINC000058000312 640662817 /nfs/dbraw/zinc/66/28/17/640662817.db2.gz MSGBMZYUHJTSJG-JTQLQIEISA-N 1 0 206.264 2.260 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933079812 640662997 /nfs/dbraw/zinc/66/29/97/640662997.db2.gz OWRVIWMHQNWYHC-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)CC[N@H+]1CCc2c(ncn2CC)C1 ZINC000933253616 640689295 /nfs/dbraw/zinc/68/92/95/640689295.db2.gz HQCBVOUTABGWCR-UHFFFAOYSA-N 1 0 219.332 2.227 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933253836 640689554 /nfs/dbraw/zinc/68/95/54/640689554.db2.gz ULWWEJZHUZWUMN-LLVKDONJSA-N 1 0 219.332 2.226 20 30 BEEDRO C#CCC1([NH2+]CC[C@H]2CCOC2=O)CCCCC1 ZINC000933269050 640696237 /nfs/dbraw/zinc/69/62/37/640696237.db2.gz IQOWCVCDRMTYHL-ZDUSSCGKSA-N 1 0 249.354 2.255 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)CCC1 ZINC000933292508 640698638 /nfs/dbraw/zinc/69/86/38/640698638.db2.gz AVINYCUMLZGFPK-UONOGXRCSA-N 1 0 233.355 2.480 20 30 BEEDRO C#CCC1([NH2+]CC[C@@H]2COC(C)(C)O2)CCC1 ZINC000933294355 640699277 /nfs/dbraw/zinc/69/92/77/640699277.db2.gz IRFDUNUXEBYWQR-GFCCVEGCSA-N 1 0 237.343 2.064 20 30 BEEDRO C#CCC1([NH2+]C[C@H](O)c2ccccc2F)CCC1 ZINC000933303674 640702950 /nfs/dbraw/zinc/70/29/50/640702950.db2.gz RFXKREUDTYGOHR-AWEZNQCLSA-N 1 0 247.313 2.395 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](Cc2nc(C)no2)C1 ZINC000933562455 640725318 /nfs/dbraw/zinc/72/53/18/640725318.db2.gz ASHBJBQNQNMRPB-LBPRGKRZSA-N 1 0 235.331 2.209 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000226107519 640732483 /nfs/dbraw/zinc/73/24/83/640732483.db2.gz KKZLBLIQISNVFA-OAHLLOKOSA-N 1 0 231.339 2.035 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933648747 640739142 /nfs/dbraw/zinc/73/91/42/640739142.db2.gz RJJYZVYBAOLRMM-GFCCVEGCSA-N 1 0 248.326 2.016 20 30 BEEDRO O=C1C=COC2(CC[NH+](C3CCCC3)CC2)C1 ZINC000933650019 640739436 /nfs/dbraw/zinc/73/94/36/640739436.db2.gz XCSOERQLNLDFRT-UHFFFAOYSA-N 1 0 235.327 2.267 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000933672400 640742032 /nfs/dbraw/zinc/74/20/32/640742032.db2.gz HGDHEWZWFOSJPL-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC000933705368 640747429 /nfs/dbraw/zinc/74/74/29/640747429.db2.gz KHVIPCXNGCXUIZ-XFIYOXNOSA-N 1 0 247.382 2.458 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC000933705367 640749038 /nfs/dbraw/zinc/74/90/38/640749038.db2.gz KHVIPCXNGCXUIZ-CQJMVSDSSA-N 1 0 247.382 2.458 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@]2(C)C1 ZINC000933706322 640751428 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/nfs/dbraw/zinc/80/16/50/640801650.db2.gz AVEYIOXLSHBYMK-UHFFFAOYSA-N 1 0 231.295 2.223 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000168736051 640823193 /nfs/dbraw/zinc/82/31/93/640823193.db2.gz RDTPMOSYUDZCTN-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](c1ccco1)N(C)C ZINC000602497873 640888867 /nfs/dbraw/zinc/88/88/67/640888867.db2.gz DJMQFMIQQIUZLM-QWHCGFSZSA-N 1 0 249.358 2.412 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000229644677 640969853 /nfs/dbraw/zinc/96/98/53/640969853.db2.gz QDVMLDOGUCWWOH-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCc2cccnc21 ZINC000229892348 640992179 /nfs/dbraw/zinc/99/21/79/640992179.db2.gz JQTHJNKRXZQNQY-NEPJUHHUSA-N 1 0 200.285 2.070 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000229964647 640998362 /nfs/dbraw/zinc/99/83/62/640998362.db2.gz AHRPDOYHUCMKFZ-CHWSQXEVSA-N 1 0 221.344 2.480 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCc2cnccc21 ZINC000934089409 641062478 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C#CCC1([NH2+][C@H](C)c2nc(C)cc(=O)[nH]2)CCC1 ZINC000933297019 642505921 /nfs/dbraw/zinc/50/59/21/642505921.db2.gz VRTGVAMRYMAVIB-LLVKDONJSA-N 1 0 245.326 2.087 20 30 BEEDRO C#CCC1([NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000933296769 642507075 /nfs/dbraw/zinc/50/70/75/642507075.db2.gz NJLDZVDXAFGHED-VXGBXAGGSA-N 1 0 202.301 2.214 20 30 BEEDRO C#CCC1([NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000933296767 642507649 /nfs/dbraw/zinc/50/76/49/642507649.db2.gz NJLDZVDXAFGHED-NWDGAFQWSA-N 1 0 202.301 2.214 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000308260106 642516127 /nfs/dbraw/zinc/51/61/27/642516127.db2.gz MYEFUJIZJXVDKC-UWVGGRQHSA-N 1 0 203.713 2.286 20 30 BEEDRO CCCCCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000305034463 642631762 /nfs/dbraw/zinc/63/17/62/642631762.db2.gz SAHBCXKTSWIMGI-NSHDSACASA-N 1 0 243.420 2.367 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1(CC(C)C)CC1 ZINC000305018716 642632674 /nfs/dbraw/zinc/63/26/74/642632674.db2.gz NCNPNGOUWPANMF-UHFFFAOYSA-N 1 0 225.380 2.469 20 30 BEEDRO CCCNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000305013684 642633167 /nfs/dbraw/zinc/63/31/67/642633167.db2.gz LHSCGOJERKYVFN-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000305068974 642634061 /nfs/dbraw/zinc/63/40/61/642634061.db2.gz KIASGSTXPNKRQX-ZOWXZIJZSA-N 1 0 244.338 2.464 20 30 BEEDRO [NH2+]=C(NCCCC1CC1)N1CCCCCC1 ZINC000305052814 642635137 /nfs/dbraw/zinc/63/51/37/642635137.db2.gz IBSDOZYICSGWCG-UHFFFAOYSA-N 1 0 223.364 2.367 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000305068971 642635585 /nfs/dbraw/zinc/63/55/85/642635585.db2.gz KIASGSTXPNKRQX-JMSVASOKSA-N 1 0 244.338 2.464 20 30 BEEDRO C=CCCOCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000305463838 642660222 /nfs/dbraw/zinc/66/02/22/642660222.db2.gz WGNSRLIYJNAOCI-UHFFFAOYSA-N 1 0 247.342 2.314 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCC[C@@H]1CCCCO1 ZINC000305812145 642702718 /nfs/dbraw/zinc/70/27/18/642702718.db2.gz JVUGTCHRDAKKCG-RYUDHWBXSA-N 1 0 241.379 2.039 20 30 BEEDRO Cc1ccccc1C[N@@H+](C)CCO[C@H](C)C#N ZINC000306061563 642719937 /nfs/dbraw/zinc/71/99/37/642719937.db2.gz WQGRAXCAVHVSAS-CYBMUJFWSA-N 1 0 232.327 2.356 20 30 BEEDRO CC[N@@H+](Cc1ccccc1O)C[C@@H](C)C#N ZINC000179561046 642724874 /nfs/dbraw/zinc/72/48/74/642724874.db2.gz XSNGEHKTQORUHZ-NSHDSACASA-N 1 0 218.300 2.374 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC000965271778 642767093 /nfs/dbraw/zinc/76/70/93/642767093.db2.gz VXTHBWCZOPGBBM-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000651675822 642772468 /nfs/dbraw/zinc/77/24/68/642772468.db2.gz DJFONUDKWGZHGZ-NWDGAFQWSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001010092212 642851911 /nfs/dbraw/zinc/85/19/11/642851911.db2.gz DLHRGPFEVAFZLX-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](N(C)C(=O)C(C)C)CC1 ZINC000948200720 642852977 /nfs/dbraw/zinc/85/29/77/642852977.db2.gz PITCCHTZLYKHEU-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181259256 642855932 /nfs/dbraw/zinc/85/59/32/642855932.db2.gz YWQRAYWUKGPGBO-CYBMUJFWSA-N 1 0 246.354 2.360 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000181318940 642861473 /nfs/dbraw/zinc/86/14/73/642861473.db2.gz CUJJNZCLZDKHCO-AWEZNQCLSA-N 1 0 219.328 2.402 20 30 BEEDRO C=C(C)C[N@@H+](C)CCC(=O)OCCCC ZINC000181326089 642862147 /nfs/dbraw/zinc/86/21/47/642862147.db2.gz ZWOBMDCPSXGSLJ-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=C(Cl)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000181478290 642876844 /nfs/dbraw/zinc/87/68/44/642876844.db2.gz RBRDMGSOEAEFIC-MNOVXSKESA-N 1 0 217.740 2.222 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001014902493 642896684 /nfs/dbraw/zinc/89/66/84/642896684.db2.gz PZSRXYLVKWMYKE-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)C1 ZINC001016063780 642949710 /nfs/dbraw/zinc/94/97/10/642949710.db2.gz OZAJIAFMVMCBCW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001017290791 642969446 /nfs/dbraw/zinc/96/94/46/642969446.db2.gz RSAZESGIHGXRPU-OKILXGFUSA-N 1 0 248.370 2.038 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCSC ZINC000070184057 642989886 /nfs/dbraw/zinc/98/98/86/642989886.db2.gz LHFAERNUNQCHIG-UHFFFAOYSA-N 1 0 235.352 2.151 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001019232190 643023541 /nfs/dbraw/zinc/02/35/41/643023541.db2.gz NEZVQRDXQSEUCP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001019458971 643034150 /nfs/dbraw/zinc/03/41/50/643034150.db2.gz UCQAFWOQJWHDDI-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C)c2)C1 ZINC001019962043 643049376 /nfs/dbraw/zinc/04/93/76/643049376.db2.gz HGGVMWBUROKCND-HDJSIYSDSA-N 1 0 244.338 2.031 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001020136075 643060682 /nfs/dbraw/zinc/06/06/82/643060682.db2.gz QXSJCSXDHSEMGF-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001020283674 643065177 /nfs/dbraw/zinc/06/51/77/643065177.db2.gz LMFABQMTTZWAFL-IHRRRGAJSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000932308761 643076871 /nfs/dbraw/zinc/07/68/71/643076871.db2.gz AFRMWZOFNPNABN-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO CCC1(C)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000304199261 643087126 /nfs/dbraw/zinc/08/71/26/643087126.db2.gz BVEQEYUWHRTTFV-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]([NH3+])CCNc1nc2ccccc2cc1C#N ZINC000071386110 643138992 /nfs/dbraw/zinc/13/89/92/643138992.db2.gz ZYHTZVWLYCNZDT-SNVBAGLBSA-N 1 0 240.310 2.256 20 30 BEEDRO CCc1ccc(CCNC(=[NH2+])NCC(C)C)cc1 ZINC000304752343 643150403 /nfs/dbraw/zinc/15/04/03/643150403.db2.gz KCWIJJYMOMRSQN-UHFFFAOYSA-N 1 0 247.386 2.352 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC000969564073 643190713 /nfs/dbraw/zinc/19/07/13/643190713.db2.gz LPJTVGVPMUCFJV-GFCCVEGCSA-N 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BYDICKQGGPNWMS-GFCCVEGCSA-N 1 0 248.326 2.104 20 30 BEEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CCCO1 ZINC000921527479 643588197 /nfs/dbraw/zinc/58/81/97/643588197.db2.gz NTYKAGVWBBWGSU-CABZTGNLSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@H]2CCCCO2)cs1 ZINC000921595969 643616782 /nfs/dbraw/zinc/61/67/82/643616782.db2.gz KNQDYBGVLWDCQS-LLVKDONJSA-N 1 0 236.340 2.278 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921649536 643699418 /nfs/dbraw/zinc/69/94/18/643699418.db2.gz TWKNBQDGHPZHDE-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2ccco2)C1 ZINC000998393341 643702859 /nfs/dbraw/zinc/70/28/59/643702859.db2.gz FESCFUKZQHDTQG-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1csc(C#N)c1 ZINC000921656583 643706715 /nfs/dbraw/zinc/70/67/15/643706715.db2.gz UATFSFJXAJPUIP-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC000998444354 643707100 /nfs/dbraw/zinc/70/71/00/643707100.db2.gz WZZSMZOZKSAHTO-IYXRBSQSSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000998525076 643711240 /nfs/dbraw/zinc/71/12/40/643711240.db2.gz JKVWJHGRJAQXMQ-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC000999877336 643743346 /nfs/dbraw/zinc/74/33/46/643743346.db2.gz RWCXJMSQLKRVCY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001000091827 643749731 /nfs/dbraw/zinc/74/97/31/643749731.db2.gz JUEVDXUKZZQAJZ-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000921736696 643766759 /nfs/dbraw/zinc/76/67/59/643766759.db2.gz XOOMDXNTNWISNJ-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1csc(C#N)c1 ZINC000921770393 643780606 /nfs/dbraw/zinc/78/06/06/643780606.db2.gz RBGFVBKPCAXKLM-UWVGGRQHSA-N 1 0 238.356 2.116 20 30 BEEDRO C#CCSCC[NH2+]Cc1csc(C#N)c1 ZINC000921770026 643780842 /nfs/dbraw/zinc/78/08/42/643780842.db2.gz UVSDDZYBSHYISC-UHFFFAOYSA-N 1 0 236.365 2.076 20 30 BEEDRO C#CCCC[NH2+]Cc1csc(C#N)c1 ZINC000921794555 643790193 /nfs/dbraw/zinc/79/01/93/643790193.db2.gz VVNGJERQOKAUFH-UHFFFAOYSA-N 1 0 204.298 2.123 20 30 BEEDRO C[C@H](CO)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921936961 643828812 /nfs/dbraw/zinc/82/88/12/643828812.db2.gz VLYWQGHXCICWEK-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000921967311 643834500 /nfs/dbraw/zinc/83/45/00/643834500.db2.gz QQLXPOAZHYKQKX-AVGNSLFASA-N 1 0 243.416 2.435 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000922012846 643845360 /nfs/dbraw/zinc/84/53/60/643845360.db2.gz VXHGYBDVZVYUPS-BXUZGUMPSA-N 1 0 242.322 2.403 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922038141 643850633 /nfs/dbraw/zinc/85/06/33/643850633.db2.gz UZRLNQMNHOLPCQ-ZDUSSCGKSA-N 1 0 232.327 2.036 20 30 BEEDRO CO[C@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922038377 643850667 /nfs/dbraw/zinc/85/06/67/643850667.db2.gz BLUFIOQDBKMZQB-GFCCVEGCSA-N 1 0 232.327 2.300 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC[C@@H](C)O ZINC000922074497 643857183 /nfs/dbraw/zinc/85/71/83/643857183.db2.gz TWHSFUBRJPUMTM-CYBMUJFWSA-N 1 0 246.354 2.426 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccnn1C1CCC1 ZINC000922114625 643866093 /nfs/dbraw/zinc/86/60/93/643866093.db2.gz ONEHRAUIUOVUMY-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO N#Cc1cc(C[NH2+]CC2=CCCOC2)cs1 ZINC000922126779 643866163 /nfs/dbraw/zinc/86/61/63/643866163.db2.gz FHBWFQVEYWWXIF-UHFFFAOYSA-N 1 0 234.324 2.056 20 30 BEEDRO CO[C@H](C[NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000922146915 643872033 /nfs/dbraw/zinc/87/20/33/643872033.db2.gz GBQJASWQUVKBNZ-GFCCVEGCSA-N 1 0 236.340 2.134 20 30 BEEDRO N#Cc1cc(C[NH2+]CCCCF)cs1 ZINC000922142365 643872380 /nfs/dbraw/zinc/87/23/80/643872380.db2.gz KJFXNFCLPBYLRR-UHFFFAOYSA-N 1 0 212.293 2.459 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1csc(C#N)c1 ZINC000922156488 643876091 /nfs/dbraw/zinc/87/60/91/643876091.db2.gz OEAWKXXLTIQZKI-VIFPVBQESA-N 1 0 238.356 2.259 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922159297 643879333 /nfs/dbraw/zinc/87/93/33/643879333.db2.gz NTCHADCJCFONPY-VXGBXAGGSA-N 1 0 236.340 2.277 20 30 BEEDRO COCC[C@H](C)C[NH2+]Cc1csc(C#N)c1 ZINC000922184296 643896061 /nfs/dbraw/zinc/89/60/61/643896061.db2.gz QSCDYODDNDBUII-JTQLQIEISA-N 1 0 238.356 2.382 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)C1 ZINC000922197417 643900015 /nfs/dbraw/zinc/90/00/15/643900015.db2.gz IFWBDHURXGWABS-QKGCVVFFSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cnc2n1CCOC2 ZINC000922222972 643908456 /nfs/dbraw/zinc/90/84/56/643908456.db2.gz FVQDDVAGLOVTIU-UHFFFAOYSA-N 1 0 249.358 2.249 20 30 BEEDRO C=CCC[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000922239676 643914099 /nfs/dbraw/zinc/91/40/99/643914099.db2.gz VTVMTUNUNBAIOL-UHFFFAOYSA-N 1 0 213.712 2.291 20 30 BEEDRO C=CCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000922239919 643915517 /nfs/dbraw/zinc/91/55/17/643915517.db2.gz YZYQVPCNWCHFSL-UHFFFAOYSA-N 1 0 219.332 2.349 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2C=CCC2)cs1 ZINC000922241153 643915945 /nfs/dbraw/zinc/91/59/45/643915945.db2.gz NMHATINUIGDJDI-JTQLQIEISA-N 1 0 204.298 2.428 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922249086 643920139 /nfs/dbraw/zinc/92/01/39/643920139.db2.gz UFGBEIKINITKQJ-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000922299191 643961231 /nfs/dbraw/zinc/96/12/31/643961231.db2.gz NIOCVQZXZQZRLM-UPJWGTAASA-N 1 0 241.400 2.289 20 30 BEEDRO COCC1CC([NH2+]Cc2csc(C#N)c2)C1 ZINC000922318065 643968528 /nfs/dbraw/zinc/96/85/28/643968528.db2.gz KXJVGSGKAUAGMS-UHFFFAOYSA-N 1 0 236.340 2.134 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000922334620 643974596 /nfs/dbraw/zinc/97/45/96/643974596.db2.gz KXJVGSGKAUAGMS-JGZJWPJOSA-N 1 0 236.340 2.134 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCN(C)[C@H]2C)ccc1C#N ZINC000922556537 644025135 /nfs/dbraw/zinc/02/51/35/644025135.db2.gz DNDIFNQBHUZLIB-WFASDCNBSA-N 1 0 243.354 2.049 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000922642995 644048881 /nfs/dbraw/zinc/04/88/81/644048881.db2.gz KQWWMQNBQJWGJF-IUODEOHRSA-N 1 0 247.338 2.376 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000922642996 644049396 /nfs/dbraw/zinc/04/93/96/644049396.db2.gz KQWWMQNBQJWGJF-SWLSCSKDSA-N 1 0 247.338 2.376 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922723722 644078471 /nfs/dbraw/zinc/07/84/71/644078471.db2.gz OVXZABINZYRTRI-MJBXVCDLSA-N 1 0 248.370 2.497 20 30 BEEDRO CCC[C@@H](O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000922825537 644102351 /nfs/dbraw/zinc/10/23/51/644102351.db2.gz PMCNCTFVTQMYLG-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO CCC[C@H](O)CC[NH2+]CC(C)(C)CCC#N ZINC000922820947 644109856 /nfs/dbraw/zinc/10/98/56/644109856.db2.gz NAELTPXCNBZYMP-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO C#CC(=O)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC000922841034 644116535 /nfs/dbraw/zinc/11/65/35/644116535.db2.gz CZMBUPKNNXVFEI-UHFFFAOYSA-N 1 0 242.322 2.244 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CSC(C)(C)C ZINC000186697156 644137245 /nfs/dbraw/zinc/13/72/45/644137245.db2.gz YWEWKZVKDMMNGN-MNOVXSKESA-N 1 0 231.405 2.433 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000186711277 644139518 /nfs/dbraw/zinc/13/95/18/644139518.db2.gz LOMFYBRIHIDAAF-FZMZJTMJSA-N 1 0 247.338 2.209 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC1(OC)CCCCC1 ZINC000186885714 644152428 /nfs/dbraw/zinc/15/24/28/644152428.db2.gz QLBVJDIUOSXADG-NSHDSACASA-N 1 0 241.379 2.039 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCCCSC ZINC000186888832 644152618 /nfs/dbraw/zinc/15/26/18/644152618.db2.gz IKYQSWDNEODXMI-SNVBAGLBSA-N 1 0 231.409 2.223 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCCn2ccnc2)C1 ZINC000625705132 644173384 /nfs/dbraw/zinc/17/33/84/644173384.db2.gz SHTROJQTWJBUFZ-CYBMUJFWSA-N 1 0 219.332 2.171 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCOCCOCC)C1 ZINC000922944737 644198282 /nfs/dbraw/zinc/19/82/82/644198282.db2.gz NMRCBBQKVZQVEX-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CCC1([NH2+]Cc2ccn(C)n2)CCCCC1 ZINC000922982632 644210059 /nfs/dbraw/zinc/21/00/59/644210059.db2.gz CKDZJSQBFBLJIS-UHFFFAOYSA-N 1 0 231.343 2.236 20 30 BEEDRO C#CCC1([NH2+]Cc2cccnc2)CCC1 ZINC000923001193 644218317 /nfs/dbraw/zinc/21/83/17/644218317.db2.gz QWVKRZIXDITAPA-UHFFFAOYSA-N 1 0 200.285 2.117 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(C)nc2Cl)CCC1 ZINC000923000016 644218463 /nfs/dbraw/zinc/21/84/63/644218463.db2.gz XGGWHJAEWLKASQ-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CCC1([NH2+]Cc2cncc(F)c2)CCC1 ZINC000922997163 644221420 /nfs/dbraw/zinc/22/14/20/644221420.db2.gz GEUSEYDNORHAEM-UHFFFAOYSA-N 1 0 218.275 2.256 20 30 BEEDRO C#CCC1([NH2+]Cc2cnn3ccccc23)CCC1 ZINC000922997796 644221664 /nfs/dbraw/zinc/22/16/64/644221664.db2.gz LLULEPXZBYBPEJ-UHFFFAOYSA-N 1 0 239.322 2.370 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC1(SC)CC1 ZINC000193301611 644232564 /nfs/dbraw/zinc/23/25/64/644232564.db2.gz MMWAMFQPACBXMB-UHFFFAOYSA-N 1 0 243.420 2.367 20 30 BEEDRO CC(C)CC(C)(C)CNC(=[NH2+])NC(C)C ZINC000081524667 644328876 /nfs/dbraw/zinc/32/88/76/644328876.db2.gz OJXNWEAHAUDSPA-UHFFFAOYSA-N 1 0 213.369 2.371 20 30 BEEDRO CCCCCCC[NH+]1CCN(C(=O)OC)CC1 ZINC000740875234 644560778 /nfs/dbraw/zinc/56/07/78/644560778.db2.gz MOOSDDZKLIUVEK-UHFFFAOYSA-N 1 0 242.363 2.341 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@H](C)c1ccccc1 ZINC000746367840 644583600 /nfs/dbraw/zinc/58/36/00/644583600.db2.gz RFSBBCBQVYHOEN-JTQLQIEISA-N 1 0 214.272 2.306 20 30 BEEDRO COc1ccc([C@H](C)C(C)=[NH+]n2cnnc2)cc1 ZINC000747624678 644585915 /nfs/dbraw/zinc/58/59/15/644585915.db2.gz QRQFSRPWAXOOKD-SNVBAGLBSA-N 1 0 244.298 2.314 20 30 BEEDRO C#C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000769788262 644682026 /nfs/dbraw/zinc/68/20/26/644682026.db2.gz HPNMXKOQKHHTFM-KBPBESRZSA-N 1 0 248.370 2.477 20 30 BEEDRO C#C[C@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000769788269 644682590 /nfs/dbraw/zinc/68/25/90/644682590.db2.gz HPNMXKOQKHHTFM-UONOGXRCSA-N 1 0 248.370 2.477 20 30 BEEDRO C=C(C)[C@@H]1CCC(C)=C(N=NC2=[NH+]C[C@H](C)N2)C1 ZINC000779797747 644714485 /nfs/dbraw/zinc/71/44/85/644714485.db2.gz JAKJPZUOYWMGGZ-NWDGAFQWSA-N 1 0 246.358 2.212 20 30 BEEDRO CCC(=NNC1=[NH+][C@H](C)CN1)C1CCCCC1 ZINC000779797987 644714932 /nfs/dbraw/zinc/71/49/32/644714932.db2.gz MDHYEZBAGKGSBM-SNVBAGLBSA-N 1 0 236.363 2.270 20 30 BEEDRO CC(=CN=NC1=[NH+]C[C@H](C)N1)Cc1ccccc1 ZINC000779805728 644718578 /nfs/dbraw/zinc/71/85/78/644718578.db2.gz RCKMIPPZANTFOF-YVUCKJMASA-N 1 0 242.326 2.013 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)nc1 ZINC000780559234 644733340 /nfs/dbraw/zinc/73/33/40/644733340.db2.gz YKAXEZGGGCHLFZ-LBPRGKRZSA-N 1 0 227.311 2.399 20 30 BEEDRO C#CCN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000782992538 644750817 /nfs/dbraw/zinc/75/08/17/644750817.db2.gz AMMQLUVOETYRJW-INIZCTEOSA-N 1 0 242.366 2.436 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000783518148 644756931 /nfs/dbraw/zinc/75/69/31/644756931.db2.gz KCSRULAHSIDBEB-ZDUSSCGKSA-N 1 0 246.354 2.414 20 30 BEEDRO C=C(Cl)CN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250523733 644761104 /nfs/dbraw/zinc/76/11/04/644761104.db2.gz NJTRVHZMLKZLOP-NEPJUHHUSA-N 1 0 228.767 2.345 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800472071 644834779 /nfs/dbraw/zinc/83/47/79/644834779.db2.gz GQKBSKNYHLAVLS-HNNXBMFYSA-N 1 0 249.329 2.429 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000303770380 644844205 /nfs/dbraw/zinc/84/42/05/644844205.db2.gz BXNHSMOYUKTTQS-UONOGXRCSA-N 1 0 243.354 2.343 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000801924713 644844366 /nfs/dbraw/zinc/84/43/66/644844366.db2.gz TYNMSJKZTCTTEM-GXTWGEPZSA-N 1 0 230.311 2.362 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cccc(F)c2)C1 ZINC000303791201 644845729 /nfs/dbraw/zinc/84/57/29/644845729.db2.gz XEHAQCSFHWXFSH-LLVKDONJSA-N 1 0 249.333 2.372 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1cccc(O)c1 ZINC000303780748 644845772 /nfs/dbraw/zinc/84/57/72/644845772.db2.gz LOQCQFGSJPDPDH-UHFFFAOYSA-N 1 0 249.358 2.377 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C12CCC2 ZINC000414158908 644852961 /nfs/dbraw/zinc/85/29/61/644852961.db2.gz ASGAGYWFJUYYGE-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1Cc2ccccc21 ZINC000303895166 644855631 /nfs/dbraw/zinc/85/56/31/644855631.db2.gz TUHUQSJQHUUYNR-CYBMUJFWSA-N 1 0 243.354 2.031 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(CC)s1 ZINC000303896242 644856123 /nfs/dbraw/zinc/85/61/23/644856123.db2.gz PVMRHEZCUKBRSA-UHFFFAOYSA-N 1 0 237.372 2.291 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303974252 644860624 /nfs/dbraw/zinc/86/06/24/644860624.db2.gz HUICLEKDIAMTEJ-WCQYABFASA-N 1 0 249.333 2.242 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303989321 644862372 /nfs/dbraw/zinc/86/23/72/644862372.db2.gz XLGFXICIIBJLGF-WCQYABFASA-N 1 0 247.317 2.162 20 30 BEEDRO CCCC(=[NH+]n1cnnc1)[C@@H]1CC1(C)C ZINC000841602398 644878050 /nfs/dbraw/zinc/87/80/50/644878050.db2.gz ADGJRXJNCPEVCR-VIFPVBQESA-N 1 0 206.293 2.328 20 30 BEEDRO CC[C@@H]([NH2+]CCO[C@H](C)C#N)c1nccs1 ZINC000304234690 644879074 /nfs/dbraw/zinc/87/90/74/644879074.db2.gz LVHTXVHXTRILIY-NXEZZACHSA-N 1 0 239.344 2.112 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000304245841 644882488 /nfs/dbraw/zinc/88/24/88/644882488.db2.gz VHSKBILQXJDAIX-CYBMUJFWSA-N 1 0 223.291 2.367 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000304268862 644884813 /nfs/dbraw/zinc/88/48/13/644884813.db2.gz VHVPZRFXFAUHTO-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000304277841 644884847 /nfs/dbraw/zinc/88/48/47/644884847.db2.gz WSMYMQFRKRQWLR-RYUDHWBXSA-N 1 0 224.348 2.283 20 30 BEEDRO C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)CC#N ZINC000809573175 644891501 /nfs/dbraw/zinc/89/15/01/644891501.db2.gz ZJIARMOZCHLDJY-GFCCVEGCSA-N 1 0 238.718 2.046 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000809662223 644895135 /nfs/dbraw/zinc/89/51/35/644895135.db2.gz COGKBEJXNRJWCA-UHFFFAOYSA-N 1 0 239.265 2.387 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCO[C@@H](C)C#N)C1 ZINC000304376848 644898549 /nfs/dbraw/zinc/89/85/49/644898549.db2.gz PTNONMJCGUCKGY-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO CCO[C@H](CCNC(=[NH2+])N[C@H](C)CC)C(C)C ZINC000304429680 644904457 /nfs/dbraw/zinc/90/44/57/644904457.db2.gz MUZQMJQOJONXRF-VXGBXAGGSA-N 1 0 243.395 2.140 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304502177 644911552 /nfs/dbraw/zinc/91/15/52/644911552.db2.gz QWRJWSWICZPHFP-KBPBESRZSA-N 1 0 245.370 2.495 20 30 BEEDRO CCCCCCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000304544637 644914742 /nfs/dbraw/zinc/91/47/42/644914742.db2.gz JGOQUQQGBFIXSL-CYBMUJFWSA-N 1 0 228.380 2.446 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cc(F)ccc1F ZINC000304751756 644929744 /nfs/dbraw/zinc/92/97/44/644929744.db2.gz JQSGPLGBZPKRPO-UHFFFAOYSA-N 1 0 241.285 2.169 20 30 BEEDRO CSCCCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304757726 644930834 /nfs/dbraw/zinc/93/08/34/644930834.db2.gz PEJKHZFZPVEKFX-NSHDSACASA-N 1 0 243.420 2.176 20 30 BEEDRO CC(C)(C)CCCNC(=[NH2+])N1CCSCC1 ZINC000304765804 644932305 /nfs/dbraw/zinc/93/23/05/644932305.db2.gz ZTWDGZWMUZECKL-UHFFFAOYSA-N 1 0 243.420 2.176 20 30 BEEDRO Cc1ccccc1O[C@@H](C)CNC(=[NH2+])NC(C)C ZINC000304771891 644932859 /nfs/dbraw/zinc/93/28/59/644932859.db2.gz AITFBIBLJVIFLZ-LBPRGKRZSA-N 1 0 249.358 2.075 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304832292 644934186 /nfs/dbraw/zinc/93/41/86/644934186.db2.gz CKWFTXXAXFBLIC-UHFFFAOYSA-N 1 0 225.380 2.373 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304856576 644935929 /nfs/dbraw/zinc/93/59/29/644935929.db2.gz XYUSPQGGUQKJKL-SNVBAGLBSA-N 1 0 211.353 2.125 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000817283483 644970468 /nfs/dbraw/zinc/97/04/68/644970468.db2.gz XVENJMXUTOCECN-ZDUSSCGKSA-N 1 0 240.391 2.415 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC(C)(C)C[NH+](C)C ZINC000822288063 645041324 /nfs/dbraw/zinc/04/13/24/645041324.db2.gz YFLMWPLJJDFZHL-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000827650849 645082882 /nfs/dbraw/zinc/08/28/82/645082882.db2.gz WCZOUUGJRRVMKJ-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC000827650848 645083366 /nfs/dbraw/zinc/08/33/66/645083366.db2.gz WCZOUUGJRRVMKJ-BFHYXJOUSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(C#N)C2)c1O ZINC000827651067 645083438 /nfs/dbraw/zinc/08/34/38/645083438.db2.gz ZFOTVLGAIFYEGZ-AWEZNQCLSA-N 1 0 230.311 2.436 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCCOC)C1 ZINC000829784319 645110621 /nfs/dbraw/zinc/11/06/21/645110621.db2.gz IOCJXSUKHOGHBQ-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000829804567 645111949 /nfs/dbraw/zinc/11/19/49/645111949.db2.gz JDWYXRUWZIZPFY-HNNXBMFYSA-N 1 0 245.370 2.317 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000830316397 645119281 /nfs/dbraw/zinc/11/92/81/645119281.db2.gz QMWCBKNARYGJLJ-HNNXBMFYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)c2cnc(C)cn2)CC1 ZINC000830351658 645121612 /nfs/dbraw/zinc/12/16/12/645121612.db2.gz UDYCGXUOUZYEJV-GFCCVEGCSA-N 1 0 229.327 2.191 20 30 BEEDRO C#CCNN=C1CCCC[C@H]1[NH+]1CCCCCC1 ZINC000835008354 645162270 /nfs/dbraw/zinc/16/22/70/645162270.db2.gz YVOBCIRRPVMCQA-OAHLLOKOSA-N 1 0 247.386 2.384 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCC=C(C)C ZINC000836793731 645176775 /nfs/dbraw/zinc/17/67/75/645176775.db2.gz YYJNKTUTMZZVKN-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CCOC12CCOCC2 ZINC000926523422 645251839 /nfs/dbraw/zinc/25/18/39/645251839.db2.gz YANIYCVPKBXEJQ-LBPRGKRZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000926521765 645253087 /nfs/dbraw/zinc/25/30/87/645253087.db2.gz OSMZAAKIROUBBW-QWRGUYRKSA-N 1 0 211.349 2.459 20 30 BEEDRO CCC[C@@H]([NH2+]CCC#N)[C@@H](O)c1ccccc1 ZINC000843090291 645265123 /nfs/dbraw/zinc/26/51/23/645265123.db2.gz WHTLWKATFSDZNF-KGLIPLIRSA-N 1 0 232.327 2.392 20 30 BEEDRO CSC1CC([NH2+]CC(C)(C)CC#N)C1 ZINC000926567657 645286668 /nfs/dbraw/zinc/28/66/68/645286668.db2.gz GXKUJKJOKMZKAQ-UHFFFAOYSA-N 1 0 212.362 2.410 20 30 BEEDRO CC(C)[C@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617631 645317781 /nfs/dbraw/zinc/31/77/81/645317781.db2.gz YYFJWPKYFDVVSR-DGAVXFQQSA-N 1 0 236.359 2.329 20 30 BEEDRO CC(C)[C@H]1COCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926617633 645319360 /nfs/dbraw/zinc/31/93/60/645319360.db2.gz YYFJWPKYFDVVSR-REWJHTLYSA-N 1 0 236.359 2.329 20 30 BEEDRO C=C(Cl)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000844419634 645330448 /nfs/dbraw/zinc/33/04/48/645330448.db2.gz OICGNOIKWYGTSD-SECBINFHSA-N 1 0 217.740 2.079 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000926647173 645334049 /nfs/dbraw/zinc/33/40/49/645334049.db2.gz RXFIKVNJZJRWIH-KKOKHZNYSA-N 1 0 222.332 2.224 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)CO ZINC000926679840 645352386 /nfs/dbraw/zinc/35/23/86/645352386.db2.gz HKBXXBCGUCFLDA-GFCCVEGCSA-N 1 0 246.354 2.097 20 30 BEEDRO Cc1cncc(CC[NH2+][C@@H](C)CC(C)(C)C#N)n1 ZINC000926714058 645377630 /nfs/dbraw/zinc/37/76/30/645377630.db2.gz YPYSEVLQRDMJFP-NSHDSACASA-N 1 0 246.358 2.246 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H](CO)CC1CC1 ZINC000926714446 645379214 /nfs/dbraw/zinc/37/92/14/645379214.db2.gz NGMOFYMWQVDVKS-DGCLKSJQSA-N 1 0 238.375 2.313 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)CC(C)(C)C#N ZINC000926757636 645406472 /nfs/dbraw/zinc/40/64/72/645406472.db2.gz HOKUBRGLJQIUHY-WZRBSPASSA-N 1 0 224.348 2.472 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2(Br)CC2)C1 ZINC000847017308 645413916 /nfs/dbraw/zinc/41/39/16/645413916.db2.gz BRMFVCZHVNXOED-JTQLQIEISA-N 1 0 242.160 2.259 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000847018242 645416574 /nfs/dbraw/zinc/41/65/74/645416574.db2.gz IDVQPJAATAYEEJ-GFCCVEGCSA-N 1 0 219.328 2.091 20 30 BEEDRO N#CCCN1CC[NH+]([C@@H]2CC3CCC2CC3)CC1 ZINC000926806328 645440167 /nfs/dbraw/zinc/44/01/67/645440167.db2.gz GHTZGQAXAKKVMH-YMAMQOFZSA-N 1 0 247.386 2.096 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccnn1C ZINC000926812472 645442137 /nfs/dbraw/zinc/44/21/37/645442137.db2.gz LTZMEKQCQZKSIY-WDEREUQCSA-N 1 0 234.347 2.399 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cnnn1C ZINC000926821321 645445157 /nfs/dbraw/zinc/44/51/57/645445157.db2.gz IFHOZSJENKGHPU-NSHDSACASA-N 1 0 236.363 2.458 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCC#N)cc1C ZINC000849023480 645446948 /nfs/dbraw/zinc/44/69/48/645446948.db2.gz YUPDWNZUINTRAX-UHFFFAOYSA-N 1 0 216.288 2.153 20 30 BEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCC#N ZINC000849023429 645447465 /nfs/dbraw/zinc/44/74/65/645447465.db2.gz SNDCWCOCJJXCTK-NSHDSACASA-N 1 0 224.352 2.229 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)C(C)(C)CO)CC1 ZINC000926840182 645450865 /nfs/dbraw/zinc/45/08/65/645450865.db2.gz PICIPCMJCRCXNE-JHJVBQTASA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)C(C)(C)CO)CC1 ZINC000926840181 645451506 /nfs/dbraw/zinc/45/15/06/645451506.db2.gz PICIPCMJCRCXNE-AVGNSLFASA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2[C@@H](C)COC[C@H]2C)CC1 ZINC000926841071 645451710 /nfs/dbraw/zinc/45/17/10/645451710.db2.gz VVEJREVCJCDDLS-CUZDEVPKSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)CC1 ZINC000926840914 645452500 /nfs/dbraw/zinc/45/25/00/645452500.db2.gz VLUNHKUVXBPOHM-HTVCTNPSSA-N 1 0 221.344 2.191 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926866409 645464300 /nfs/dbraw/zinc/46/43/00/645464300.db2.gz WHSLIGHHCKPOSR-HYWTVENDSA-N 1 0 241.400 2.330 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926875149 645468690 /nfs/dbraw/zinc/46/86/90/645468690.db2.gz WBTJLTGELDXXGA-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000926874802 645469292 /nfs/dbraw/zinc/46/92/92/645469292.db2.gz UJTWENHFTXFOMS-QJPTWQEYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CC1CC[NH+](Cc2nc(C)oc2C)CC1 ZINC000852204205 645472767 /nfs/dbraw/zinc/47/27/67/645472767.db2.gz BGCIWLJPVLZMDE-UHFFFAOYSA-N 1 0 218.300 2.137 20 30 BEEDRO C=C(Cl)CN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000852752696 645489006 /nfs/dbraw/zinc/48/90/06/645489006.db2.gz HXEJXWZFLDRSSJ-ZDUSSCGKSA-N 1 0 236.746 2.297 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H](C)c2cnn(C)n2)CC1 ZINC000926926645 645490039 /nfs/dbraw/zinc/49/00/39/645490039.db2.gz XRCIOBDMKRQUQH-NSHDSACASA-N 1 0 234.347 2.212 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926946429 645494044 /nfs/dbraw/zinc/49/40/44/645494044.db2.gz NWUXZIYYFCXDDC-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO Cc1cnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000926961061 645501365 /nfs/dbraw/zinc/50/13/65/645501365.db2.gz SVUQXAVMPMUOGK-OLZOCXBDSA-N 1 0 229.327 2.480 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000926980369 645503656 /nfs/dbraw/zinc/50/36/56/645503656.db2.gz PWHSXLZQKROQEM-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCO[C@@H]1CCOC1 ZINC000927084488 645543349 /nfs/dbraw/zinc/54/33/49/645543349.db2.gz MWGHUENEUKCYEO-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO COC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000927096045 645548030 /nfs/dbraw/zinc/54/80/30/645548030.db2.gz JBUNEZVMBZGJFR-RWMBFGLXSA-N 1 0 224.348 2.187 20 30 BEEDRO COC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000927096042 645548507 /nfs/dbraw/zinc/54/85/07/645548507.db2.gz JBUNEZVMBZGJFR-AGIUHOORSA-N 1 0 224.348 2.187 20 30 BEEDRO Cn1nc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1C1CC1 ZINC000927107911 645551922 /nfs/dbraw/zinc/55/19/22/645551922.db2.gz NFDSZBVWVPETAW-ZYHUDNBSSA-N 1 0 244.342 2.079 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000927148374 645572729 /nfs/dbraw/zinc/57/27/29/645572729.db2.gz RCGYANAGOVNPLX-GIPNMCIBSA-N 1 0 248.301 2.119 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927154586 645578143 /nfs/dbraw/zinc/57/81/43/645578143.db2.gz ZLCNTNJYZPRGPQ-VXGBXAGGSA-N 1 0 248.374 2.007 20 30 BEEDRO C[C@@H](CC1CC1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927165227 645579659 /nfs/dbraw/zinc/57/96/59/645579659.db2.gz PBGJXPCFFGDUKE-NSHDSACASA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927164748 645580005 /nfs/dbraw/zinc/58/00/05/645580005.db2.gz MIJWBVYIAAEOKW-WCQYABFASA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927165226 645580381 /nfs/dbraw/zinc/58/03/81/645580381.db2.gz PBGJXPCFFGDUKE-LLVKDONJSA-N 1 0 244.342 2.143 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168059 645580492 /nfs/dbraw/zinc/58/04/92/645580492.db2.gz IRORBGHAHYBDQV-RYUDHWBXSA-N 1 0 246.358 2.389 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000862446810 645697174 /nfs/dbraw/zinc/69/71/74/645697174.db2.gz FLVWWPPTAFGXPC-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000862447092 645698221 /nfs/dbraw/zinc/69/82/21/645698221.db2.gz IRCMVOIAPBAXFS-GFCCVEGCSA-N 1 0 241.338 2.199 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C)cc1O ZINC000877049136 645788921 /nfs/dbraw/zinc/78/89/21/645788921.db2.gz QTAOQZFZNMBSEV-UHFFFAOYSA-N 1 0 235.352 2.157 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)c1ccsc1 ZINC000877049190 645789115 /nfs/dbraw/zinc/78/91/15/645789115.db2.gz RMJHDOAKJYMSGI-PWSUYJOCSA-N 1 0 238.356 2.311 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000877371535 645792395 /nfs/dbraw/zinc/79/23/95/645792395.db2.gz JABRZOHVNYBARY-UHFFFAOYSA-N 1 0 215.296 2.298 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC000877650951 645806286 /nfs/dbraw/zinc/80/62/86/645806286.db2.gz VDUXWBSTPFTQOA-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000878490840 645815262 /nfs/dbraw/zinc/81/52/62/645815262.db2.gz COWQONZYRFIWNH-AAEUAGOBSA-N 1 0 249.358 2.120 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928565895 645827038 /nfs/dbraw/zinc/82/70/38/645827038.db2.gz GYCTYQOKKCTWCV-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCCCC)CC1 ZINC000880479704 645832474 /nfs/dbraw/zinc/83/24/74/645832474.db2.gz UXHGGACZOIKMMG-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000883124520 645849588 /nfs/dbraw/zinc/84/95/88/645849588.db2.gz IQJDZRPFZHBRKK-ARFHVFGLSA-N 1 0 243.350 2.297 20 30 BEEDRO C#C[C@H](C)[NH2+]CCc1ccc(Cl)cc1 ZINC000135167843 645877888 /nfs/dbraw/zinc/87/78/88/645877888.db2.gz PRQKNLOHFFMNFW-JTQLQIEISA-N 1 0 207.704 2.494 20 30 BEEDRO CCC[N@H+](CCO)Cc1c(C)cc(C#N)cc1C ZINC000929273283 646051714 /nfs/dbraw/zinc/05/17/14/646051714.db2.gz PEZCNYYWOPNWDD-UHFFFAOYSA-N 1 0 246.354 2.379 20 30 BEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)C2CC2)cc1 ZINC000929275615 646053528 /nfs/dbraw/zinc/05/35/28/646053528.db2.gz WQIKXRBFHIKNCR-UHFFFAOYSA-N 1 0 242.322 2.091 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H]1CO ZINC000929358813 646093790 /nfs/dbraw/zinc/09/37/90/646093790.db2.gz LDYRQTCOPQJLEB-CQSZACIVSA-N 1 0 244.338 2.132 20 30 BEEDRO Cc1ccccc1C[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929368146 646101105 /nfs/dbraw/zinc/10/11/05/646101105.db2.gz KAMUZEDKZYZOAF-OAHLLOKOSA-N 1 0 244.338 2.234 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000924762910 646103327 /nfs/dbraw/zinc/10/33/27/646103327.db2.gz WZSXKPBQQJSLIQ-GRYCIOLGSA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCc1cccnc1 ZINC000929473333 646131303 /nfs/dbraw/zinc/13/13/03/646131303.db2.gz YDGPBTOCLALDDF-GFCCVEGCSA-N 1 0 217.316 2.106 20 30 BEEDRO C[N@H+](CCC1CCCCC1)C[C@H](O)CC#N ZINC000929469260 646131740 /nfs/dbraw/zinc/13/17/40/646131740.db2.gz LMHIHYGXIBHTLH-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO COc1cc([C@H](C)[NH2+]CCCCC#N)on1 ZINC000924941917 646135099 /nfs/dbraw/zinc/13/50/99/646135099.db2.gz JSQWHCIUVMDUBJ-VIFPVBQESA-N 1 0 223.276 2.028 20 30 BEEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCCO1 ZINC000929489792 646146045 /nfs/dbraw/zinc/14/60/45/646146045.db2.gz VQGCRJKZMSTIEC-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCN1CCC([NH2+]C2CC3(C2)CCCC3)CC1 ZINC000924998491 646154176 /nfs/dbraw/zinc/15/41/76/646154176.db2.gz FUTCHYXIIMYEII-UHFFFAOYSA-N 1 0 247.386 2.287 20 30 BEEDRO CC(C)(CCc1ccccc1)[NH2+]C[C@H](O)CC#N ZINC000929501310 646155045 /nfs/dbraw/zinc/15/50/45/646155045.db2.gz NVNPNUSHFUSLNI-CQSZACIVSA-N 1 0 246.354 2.262 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)[nH]n1 ZINC000925102373 646184589 /nfs/dbraw/zinc/18/45/89/646184589.db2.gz KAVWJHHGGMRHQE-JTQLQIEISA-N 1 0 220.320 2.136 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925160859 646197471 /nfs/dbraw/zinc/19/74/71/646197471.db2.gz NJMHPVVXVOVYIU-KBPBESRZSA-N 1 0 220.360 2.006 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925158818 646197977 /nfs/dbraw/zinc/19/79/77/646197977.db2.gz BFADBWRFDXFYSW-NSHDSACASA-N 1 0 218.300 2.154 20 30 BEEDRO C[N@H+](CCN1CCCC1)CC1CCC(C#N)CC1 ZINC000929632781 646207386 /nfs/dbraw/zinc/20/73/86/646207386.db2.gz VKMOWCKOYSKEPU-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO CC[N@H+](CC1CCC(C#N)CC1)CC(C)(C)O ZINC000929643566 646217568 /nfs/dbraw/zinc/21/75/68/646217568.db2.gz GHKPUIBLHJAOND-UHFFFAOYSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929659257 646229431 /nfs/dbraw/zinc/22/94/31/646229431.db2.gz GJEVGKXWNQNKLB-JXQTWKCFSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](O)C[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929706697 646262481 /nfs/dbraw/zinc/26/24/81/646262481.db2.gz RQOXXOLLTZJIOR-SECBINFHSA-N 1 0 238.718 2.024 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nn(CC)nc1C ZINC000925426308 646275753 /nfs/dbraw/zinc/27/57/53/646275753.db2.gz MYEIHBQAMAEPRU-VHSXEESVSA-N 1 0 222.336 2.222 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925430570 646278730 /nfs/dbraw/zinc/27/87/30/646278730.db2.gz MPJMOLRMDSVBFD-OKZRHMCRSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925428700 646279877 /nfs/dbraw/zinc/27/98/77/646279877.db2.gz FCHMKZJKFNJREP-MNOVXSKESA-N 1 0 222.336 2.474 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925436934 646281611 /nfs/dbraw/zinc/28/16/11/646281611.db2.gz IMKPNRZSODZBOL-NEPJUHHUSA-N 1 0 228.767 2.345 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000925456484 646286261 /nfs/dbraw/zinc/28/62/61/646286261.db2.gz XOYSGRVTOQRQGX-CHWSQXEVSA-N 1 0 243.416 2.272 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](CCO)C1CC1 ZINC000925462345 646288100 /nfs/dbraw/zinc/28/81/00/646288100.db2.gz VJEJCQFEDFYHKZ-JQWIXIFHSA-N 1 0 224.348 2.065 20 30 BEEDRO CCC[C@]1(C)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000929758336 646291858 /nfs/dbraw/zinc/29/18/58/646291858.db2.gz DUECAEXDQNKDII-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO COCC[N@H+](CCC#N)CC1CCC(C#N)CC1 ZINC000929775838 646294655 /nfs/dbraw/zinc/29/46/55/646294655.db2.gz VTTPSTSCKGVKHD-UHFFFAOYSA-N 1 0 249.358 2.178 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925526727 646316938 /nfs/dbraw/zinc/31/69/38/646316938.db2.gz KVZGQWCNSDRYPR-CABCVRRESA-N 1 0 234.387 2.396 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929789703 646319605 /nfs/dbraw/zinc/31/96/05/646319605.db2.gz XXOISNWPJQTFFV-MNOVXSKESA-N 1 0 249.276 2.442 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925532658 646319753 /nfs/dbraw/zinc/31/97/53/646319753.db2.gz UBUNVHYYJOXREI-ZIAGYGMSSA-N 1 0 241.375 2.230 20 30 BEEDRO C[C@@H](N)[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607460 646357897 /nfs/dbraw/zinc/35/78/97/646357897.db2.gz BNJLAUHLRNAUNO-OCCSQVGLSA-N 1 0 231.343 2.358 20 30 BEEDRO CC(C)[N@H+](C[C@H](O)CC#N)C1CCCCC1 ZINC000929951579 646377405 /nfs/dbraw/zinc/37/74/05/646377405.db2.gz XVLDKAXNECCCDJ-CYBMUJFWSA-N 1 0 224.348 2.304 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000925633700 646378515 /nfs/dbraw/zinc/37/85/15/646378515.db2.gz GLBGNXCDNWQBLN-UWVGGRQHSA-N 1 0 220.320 2.389 20 30 BEEDRO C[C@@H](c1ccco1)N(C[C@H](O)CC#N)C1CC1 ZINC000930024950 646398780 /nfs/dbraw/zinc/39/87/80/646398780.db2.gz WIKIGINFGBGWOL-CMPLNLGQSA-N 1 0 234.299 2.080 20 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C=CCC[NH2+][C@H](c1ccccc1)[C@H](C)N ZINC000925704624 646429717 /nfs/dbraw/zinc/42/97/17/646429717.db2.gz ICKLGTONHKKDEJ-AAEUAGOBSA-N 1 0 204.317 2.241 20 30 BEEDRO C=CC[N@@H+](Cc1cc(C)nnc1C)C1CC1 ZINC000930176528 646476873 /nfs/dbraw/zinc/47/68/73/646476873.db2.gz TVRQPCINDMYBSB-UHFFFAOYSA-N 1 0 217.316 2.244 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CNCC[C@H]2C)CC1 ZINC000925835399 646503009 /nfs/dbraw/zinc/50/30/09/646503009.db2.gz OPQDUPGOPJEEIK-OCCSQVGLSA-N 1 0 222.376 2.320 20 30 BEEDRO Cc1ccc(CN[C@H]2CC[NH2+]C2(C)C)cc1C#N ZINC000925838607 646505759 /nfs/dbraw/zinc/50/57/59/646505759.db2.gz MHVDVTYZXOURPR-AWEZNQCLSA-N 1 0 243.354 2.097 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000925926526 646542320 /nfs/dbraw/zinc/54/23/20/646542320.db2.gz QCYLZUSAOQSNHA-SMDDNHRTSA-N 1 0 242.322 2.172 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1C(C)(C)C ZINC000925979075 646552120 /nfs/dbraw/zinc/55/21/20/646552120.db2.gz IRUYATGCGSONCZ-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000926116221 646576109 /nfs/dbraw/zinc/57/61/09/646576109.db2.gz QCFPDNMEJQYHSM-NSHDSACASA-N 1 0 249.310 2.269 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926116212 646576427 /nfs/dbraw/zinc/57/64/27/646576427.db2.gz PWEFIVJXNVGEPQ-KGLIPLIRSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926117570 646578175 /nfs/dbraw/zinc/57/81/75/646578175.db2.gz YOLDWVJKDCNUIH-GFCCVEGCSA-N 1 0 249.358 2.073 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926131567 646580456 /nfs/dbraw/zinc/58/04/56/646580456.db2.gz FVCQXWKMIFWRHB-STQMWFEESA-N 1 0 224.348 2.211 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926131089 646581272 /nfs/dbraw/zinc/58/12/72/646581272.db2.gz AJOMOMNRKHCAEI-CYBMUJFWSA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@H]2CCCOC2)C1 ZINC000926203507 646593633 /nfs/dbraw/zinc/59/36/33/646593633.db2.gz REVCBANNXAGOAN-UNQGMJICSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1cc(CO)on1 ZINC000926201184 646594268 /nfs/dbraw/zinc/59/42/68/646594268.db2.gz ZOMITPZBGWPOTL-SNVBAGLBSA-N 1 0 224.304 2.174 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](CO)CC1CCC1 ZINC000926337117 646619055 /nfs/dbraw/zinc/61/90/55/646619055.db2.gz ITXZIFNQROLIGN-YPMHNXCESA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccnnc1 ZINC000926342920 646620057 /nfs/dbraw/zinc/62/00/57/646620057.db2.gz OGBZYGTYMMOWAK-UBHSHLNASA-N 1 0 247.342 2.108 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000926357161 646624605 /nfs/dbraw/zinc/62/46/05/646624605.db2.gz UBJQOZORAGLWOJ-HRDMENRUSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]1C ZINC000926357165 646624764 /nfs/dbraw/zinc/62/47/64/646624764.db2.gz UBJQOZORAGLWOJ-XPXVYLNCSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccnnc1 ZINC000926356591 646625422 /nfs/dbraw/zinc/62/54/22/646625422.db2.gz NHFHRMOOWVLESO-HIFPTAJRSA-N 1 0 244.342 2.457 20 30 BEEDRO C=CCCCCCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926422058 646633686 /nfs/dbraw/zinc/63/36/86/646633686.db2.gz GIORYYDADDQMBK-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccnnc1 ZINC000926427445 646637464 /nfs/dbraw/zinc/63/74/64/646637464.db2.gz ZSKVVGWFBXCOIW-LLVKDONJSA-N 1 0 232.331 2.457 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926481249 646655118 /nfs/dbraw/zinc/65/51/18/646655118.db2.gz ITNJHAHGJYFRCF-JTQLQIEISA-N 1 0 222.336 2.068 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C1CC1)C(C)(C)C ZINC000926491014 646661134 /nfs/dbraw/zinc/66/11/34/646661134.db2.gz UDVGARLINLFMRI-CQSZACIVSA-N 1 0 236.403 2.356 20 30 BEEDRO N#CCCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723967549 711548397 /nfs/dbraw/zinc/54/83/97/711548397.db2.gz CIBDUNKAVBODBZ-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724812392 711616440 /nfs/dbraw/zinc/61/64/40/711616440.db2.gz PYAWNIAFOWSJQS-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](CCO)C1CCCC1 ZINC000725076175 711649527 /nfs/dbraw/zinc/64/95/27/711649527.db2.gz BKWMSDLQHYCIBX-YPMHNXCESA-N 1 0 224.348 2.209 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCOC12CCCC2 ZINC000725664476 711668774 /nfs/dbraw/zinc/66/87/74/711668774.db2.gz JMTNZHBEQXQMFJ-JTQLQIEISA-N 1 0 215.724 2.430 20 30 BEEDRO CC(C)(C#N)CCC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721829790 711777946 /nfs/dbraw/zinc/77/79/46/711777946.db2.gz APLPICYLFIPELK-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000897391794 711788997 /nfs/dbraw/zinc/78/89/97/711788997.db2.gz AXFYRINPSOWGGC-LLVKDONJSA-N 1 0 233.315 2.159 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCCCCO)C1 ZINC000185878875 711908800 /nfs/dbraw/zinc/90/88/00/711908800.db2.gz ZJQMBJLPLIYJEW-OLZOCXBDSA-N 1 0 224.348 2.211 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000703756398 712085189 /nfs/dbraw/zinc/08/51/89/712085189.db2.gz LZYAJFQHPBCROL-NWDGAFQWSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000703762551 712086551 /nfs/dbraw/zinc/08/65/51/712086551.db2.gz VLRRSWVLHPEYGK-OLZOCXBDSA-N 1 0 240.391 2.448 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnc(C)c1)C(C)C ZINC000705905281 712139001 /nfs/dbraw/zinc/13/90/01/712139001.db2.gz MULJDLACYHWWRA-ZDUSSCGKSA-N 1 0 202.301 2.137 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708815975 712199145 /nfs/dbraw/zinc/19/91/45/712199145.db2.gz ANDFADLXFVMNLV-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708815985 712199622 /nfs/dbraw/zinc/19/96/22/712199622.db2.gz ANDFADLXFVMNLV-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC1(OC)OC ZINC000710968462 712270551 /nfs/dbraw/zinc/27/05/51/712270551.db2.gz DQORMWKZDXUHNF-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOCCC#N ZINC000378857184 712363547 /nfs/dbraw/zinc/36/35/47/712363547.db2.gz LIIOMQUUKPMSEY-ITGUQSILSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@](C)(OC)C1CC1 ZINC000379370612 712377587 /nfs/dbraw/zinc/37/75/87/712377587.db2.gz RUZYNXLGAPNTTR-JTQLQIEISA-N 1 0 203.713 2.144 20 30 BEEDRO C#CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000780385223 712416555 /nfs/dbraw/zinc/41/65/55/712416555.db2.gz NJVOJCATSWNGAI-IUCAKERBSA-N 1 0 205.223 2.282 20 30 BEEDRO N#CC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000713435866 712460215 /nfs/dbraw/zinc/46/02/15/712460215.db2.gz LSAKVUJAIOFLOX-UHFFFAOYSA-N 1 0 236.237 2.148 20 30 BEEDRO C=C/C=C\CC[NH2+]Cc1nc(C#N)cs1 ZINC000713499959 712463702 /nfs/dbraw/zinc/46/37/02/712463702.db2.gz RFVQGXBIJAXFSA-ARJAWSKDSA-N 1 0 219.313 2.237 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2cc(C#N)cs2)C1 ZINC000714695231 712495833 /nfs/dbraw/zinc/49/58/33/712495833.db2.gz BKQHARXWHAZZAE-HOMQSWHASA-N 1 0 236.340 2.134 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1sccc1C ZINC000716930066 712596461 /nfs/dbraw/zinc/59/64/61/712596461.db2.gz XIYZPZRUZBIMRV-LLVKDONJSA-N 1 0 223.341 2.184 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000716929997 712596490 /nfs/dbraw/zinc/59/64/90/712596490.db2.gz WLMFSMNVJGEQOK-HZSPNIEDSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000716928777 712596507 /nfs/dbraw/zinc/59/65/07/712596507.db2.gz NQZJFQFYJNVYJD-JHJVBQTASA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000716929999 712596567 /nfs/dbraw/zinc/59/65/67/712596567.db2.gz WLMFSMNVJGEQOK-MELADBBJSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)C1CCCC1 ZINC000716928257 712596597 /nfs/dbraw/zinc/59/65/97/712596597.db2.gz GVPJMFGYUMTUAA-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)ccc1C ZINC000716932352 712596975 /nfs/dbraw/zinc/59/69/75/712596975.db2.gz DIRCONIFODLTJZ-OAHLLOKOSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(CC)cc1 ZINC000716935121 712597308 /nfs/dbraw/zinc/59/73/08/712597308.db2.gz NJQFBNOOYTUEQW-OAHLLOKOSA-N 1 0 231.339 2.377 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cc1cccs1 ZINC000716959652 712600288 /nfs/dbraw/zinc/60/02/88/712600288.db2.gz ZSHLWZXVTXAQCW-NEPJUHHUSA-N 1 0 237.368 2.307 20 30 BEEDRO C#CCCC[NH2+]CC1(OC)CCCCC1 ZINC000379931992 712632374 /nfs/dbraw/zinc/63/23/74/712632374.db2.gz PDVKTPNBBYNGBR-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C=CCC1(O)CC[NH+](CCOCCCC)CC1 ZINC000717406328 712655721 /nfs/dbraw/zinc/65/57/21/712655721.db2.gz NFPWMIGYCBJOQA-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCC1(O)CC[NH+](C/C=C\Cl)CC1 ZINC000717397499 712655035 /nfs/dbraw/zinc/65/50/35/712655035.db2.gz JLSUNVYGEMGEBB-CLTKARDFSA-N 1 0 215.724 2.142 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000717747575 712668820 /nfs/dbraw/zinc/66/88/20/712668820.db2.gz DNZYEDCKENSPQZ-QLFBSQMISA-N 1 0 235.371 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000717748348 712668836 /nfs/dbraw/zinc/66/88/36/712668836.db2.gz IPUHQUXJFPWNJU-AGIUHOORSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]CC1CCC(C)(C)CC1 ZINC000717840108 712686967 /nfs/dbraw/zinc/68/69/67/712686967.db2.gz DGOZCNDSKRRJHF-CYBMUJFWSA-N 1 0 223.360 2.177 20 30 BEEDRO CC[C@@H](C)N[NH+]=C(C)c1ccc(N)cc1 ZINC000389677796 712689820 /nfs/dbraw/zinc/68/98/20/712689820.db2.gz CYOQAGDLQQCGKC-SECBINFHSA-N 1 0 205.305 2.381 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cncnc1 ZINC000717898921 712731924 /nfs/dbraw/zinc/73/19/24/712731924.db2.gz LXKBYLFDNHUZRQ-UHFFFAOYSA-N 1 0 205.305 2.311 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cnccc1C ZINC000380214046 712727235 /nfs/dbraw/zinc/72/72/35/712727235.db2.gz HRJGDJDACFHCEN-GFCCVEGCSA-N 1 0 202.301 2.454 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)cc1Cl ZINC000380214288 712727396 /nfs/dbraw/zinc/72/73/96/712727396.db2.gz HWDVBUSNXYSDFQ-VIFPVBQESA-N 1 0 223.703 2.460 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C#N)CC1 ZINC000718816167 712784096 /nfs/dbraw/zinc/78/40/96/712784096.db2.gz WMSJUPGSHVCDIX-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)C#N ZINC000380234238 712838919 /nfs/dbraw/zinc/83/89/19/712838919.db2.gz RZUDUYUHCLJGKB-LBPRGKRZSA-N 1 0 234.347 2.047 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000381230135 710610801 /nfs/dbraw/zinc/61/08/01/710610801.db2.gz KRKGPMOPADITOE-UPJWGTAASA-N 1 0 224.348 2.065 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1ccccc1F ZINC000384124009 710616949 /nfs/dbraw/zinc/61/69/49/710616949.db2.gz APBWDTRPDSKGIA-KGLIPLIRSA-N 1 0 235.302 2.251 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000384124577 710618372 /nfs/dbraw/zinc/61/83/72/710618372.db2.gz ASNNSOGOCBPERS-UONOGXRCSA-N 1 0 222.376 2.252 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC1CCOCC1)C(C)C ZINC000381451018 710638434 /nfs/dbraw/zinc/63/84/34/710638434.db2.gz GWKKUGLFJALYDJ-JSGCOSHPSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC1CCOCC1)C(C)C ZINC000381451019 710638582 /nfs/dbraw/zinc/63/85/82/710638582.db2.gz GWKKUGLFJALYDJ-OCCSQVGLSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000381508022 710649130 /nfs/dbraw/zinc/64/91/30/710649130.db2.gz QISCRLFAQZOPHP-UHFFFAOYSA-N 1 0 231.324 2.481 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1[nH]nc2ccccc21 ZINC000381575367 710656290 /nfs/dbraw/zinc/65/62/90/710656290.db2.gz ZNKAFEFECODBAX-SNVBAGLBSA-N 1 0 213.284 2.064 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000381578601 710657592 /nfs/dbraw/zinc/65/75/92/710657592.db2.gz DJCKSASIUBBHOP-JHJVBQTASA-N 1 0 220.316 2.351 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC1CC(F)(F)C1 ZINC000384144005 710660475 /nfs/dbraw/zinc/66/04/75/710660475.db2.gz FCXNOQRNOCKWDI-JTQLQIEISA-N 1 0 201.260 2.423 20 30 BEEDRO C#CCSCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000381619864 710662526 /nfs/dbraw/zinc/66/25/26/710662526.db2.gz YJSRGPWMSZYXSY-STQMWFEESA-N 1 0 241.400 2.148 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)OC(C)(C)C ZINC000384161283 710672874 /nfs/dbraw/zinc/67/28/74/710672874.db2.gz JYYYYHQDZIMBHD-CYBMUJFWSA-N 1 0 225.332 2.110 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000381762622 710704014 /nfs/dbraw/zinc/70/40/14/710704014.db2.gz UKGNHNNEPUOHJH-NSHDSACASA-N 1 0 218.300 2.241 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)CCOC)cc1 ZINC000381784773 710714167 /nfs/dbraw/zinc/71/41/67/710714167.db2.gz YNSAGAJSTZEAGR-GFCCVEGCSA-N 1 0 217.312 2.183 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000722582141 710717464 /nfs/dbraw/zinc/71/74/64/710717464.db2.gz JTSJHJILEDYHTJ-NWDGAFQWSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC ZINC001039253270 710723832 /nfs/dbraw/zinc/72/38/32/710723832.db2.gz BYIMLKGOTFYOSW-YHWZYXNKSA-N 1 0 236.359 2.084 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000724156594 710738012 /nfs/dbraw/zinc/73/80/12/710738012.db2.gz KSEQOMJLXKWAHA-ZIAGYGMSSA-N 1 0 230.311 2.167 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000384175119 710760288 /nfs/dbraw/zinc/76/02/88/710760288.db2.gz NZMSKXNAFPCVMY-ZDUSSCGKSA-N 1 0 232.283 2.486 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccnc1C ZINC000384195197 710813325 /nfs/dbraw/zinc/81/33/25/710813325.db2.gz XRWVKWUKDBBQRE-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cnc(C)s1 ZINC000384189244 710813647 /nfs/dbraw/zinc/81/36/47/710813647.db2.gz UPNSFVADCLDZGA-LLVKDONJSA-N 1 0 208.330 2.343 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000384196178 710821285 /nfs/dbraw/zinc/82/12/85/710821285.db2.gz YCDLIUNWSTYCQW-OAHLLOKOSA-N 1 0 245.322 2.349 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C#N)ccc1OC ZINC000384197587 710822006 /nfs/dbraw/zinc/82/20/06/710822006.db2.gz KCVGTZWOVKKGKC-OAHLLOKOSA-N 1 0 242.322 2.458 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOCCC(C)C ZINC000384197038 710822019 /nfs/dbraw/zinc/82/20/19/710822019.db2.gz YOZFIONCAYQVJA-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccoc2)[C@H](C)C1 ZINC001044458495 710827271 /nfs/dbraw/zinc/82/72/71/710827271.db2.gz OFFHHWXJKUCOPN-DGCLKSJQSA-N 1 0 248.326 2.048 20 30 BEEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCO[C@H](C)C#N ZINC000384274819 710849520 /nfs/dbraw/zinc/84/95/20/710849520.db2.gz BVNDCCPGJUMYHP-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC=CCC2)C1 ZINC001046134634 710849887 /nfs/dbraw/zinc/84/98/87/710849887.db2.gz DQUYKYNBFMQMKZ-ZFWWWQNUSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CCOC1 ZINC000903109475 710892680 /nfs/dbraw/zinc/89/26/80/710892680.db2.gz PPWOALVVRUDXAL-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C=C(C)C ZINC001049293669 710900048 /nfs/dbraw/zinc/90/00/48/710900048.db2.gz VPNXYMKDWGCXSJ-ZIAGYGMSSA-N 1 0 248.370 2.204 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1cccc(C)n1 ZINC000399862787 710911634 /nfs/dbraw/zinc/91/16/34/710911634.db2.gz UYUNJDJEHGVBIE-AWEZNQCLSA-N 1 0 216.328 2.324 20 30 BEEDRO C[N@H+](CCOCCC#N)CCC(C)(C)C ZINC000399838776 710912839 /nfs/dbraw/zinc/91/28/39/710912839.db2.gz KKRDFNBVWIRCDZ-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](NC(=O)CC)CC1 ZINC001052127345 710959713 /nfs/dbraw/zinc/95/97/13/710959713.db2.gz VUZJBXSYRSTQIN-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2)CC1 ZINC001052203412 710964476 /nfs/dbraw/zinc/96/44/76/710964476.db2.gz BAWIYTPCZHZUIQ-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CCO[C@H](C)C#N)cc1 ZINC000384142584 710990392 /nfs/dbraw/zinc/99/03/92/710990392.db2.gz NLCYKUOERXBIJN-CYBMUJFWSA-N 1 0 232.327 2.356 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000384179260 710991751 /nfs/dbraw/zinc/99/17/51/710991751.db2.gz PIGPJFYEJDEQBE-AWEZNQCLSA-N 1 0 249.310 2.266 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000384236086 710993284 /nfs/dbraw/zinc/99/32/84/710993284.db2.gz ZBLJFGCDIMDLMI-IUODEOHRSA-N 1 0 244.338 2.405 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC(C)(C)C ZINC000385080702 711004743 /nfs/dbraw/zinc/00/47/43/711004743.db2.gz FGOZHZDCOKMFSC-ZDUSSCGKSA-N 1 0 224.392 2.356 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCc2ccccc2CC1 ZINC000385452349 711012960 /nfs/dbraw/zinc/01/29/60/711012960.db2.gz MYLLKTQXTNPKHJ-CYBMUJFWSA-N 1 0 244.338 2.016 20 30 BEEDRO COc1cccc(C[N@H+](C)CCO[C@@H](C)C#N)c1 ZINC000385473433 711013508 /nfs/dbraw/zinc/01/35/08/711013508.db2.gz HEHGRZKXEMKWMK-LBPRGKRZSA-N 1 0 248.326 2.056 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ncc(Cl)n1C ZINC000386794719 711036457 /nfs/dbraw/zinc/03/64/57/711036457.db2.gz ARISTIHZFPTGJL-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000387353391 711042420 /nfs/dbraw/zinc/04/24/20/711042420.db2.gz GNYRZGJUBWWNHF-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO CC[NH+]1CCC(NCC#Cc2ccccc2)CC1 ZINC000387331970 711043077 /nfs/dbraw/zinc/04/30/77/711043077.db2.gz DDAVUGZVVDCQCX-UHFFFAOYSA-N 1 0 242.366 2.112 20 30 BEEDRO CCNC(NC[C@@H]1CCCC1(C)C)=[NH+]CC ZINC000389011812 711071518 /nfs/dbraw/zinc/07/15/18/711071518.db2.gz DPZCZBUQUAAADA-NSHDSACASA-N 1 0 225.380 2.388 20 30 BEEDRO CCNC(NC[C@H]1CCCC1(C)C)=[NH+]CC ZINC000389011811 711072055 /nfs/dbraw/zinc/07/20/55/711072055.db2.gz DPZCZBUQUAAADA-LLVKDONJSA-N 1 0 225.380 2.388 20 30 BEEDRO CCC[N@@H+]1CC[C@H](NCC#Cc2ccccc2)C1 ZINC000389227363 711073016 /nfs/dbraw/zinc/07/30/16/711073016.db2.gz HPTYZFOWEMRHNZ-INIZCTEOSA-N 1 0 242.366 2.112 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000389587601 711081835 /nfs/dbraw/zinc/08/18/35/711081835.db2.gz AAWZQRUXRMUUBZ-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000389855796 711093009 /nfs/dbraw/zinc/09/30/09/711093009.db2.gz AWBQMYAHRWFSME-ONGXEEELSA-N 1 0 207.321 2.344 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CSCCS2)C1 ZINC000389889243 711095307 /nfs/dbraw/zinc/09/53/07/711095307.db2.gz UPZUARRAQLIVGX-GMTAPVOTSA-N 1 0 242.413 2.117 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)[C@@H]1CCCO1 ZINC000390445528 711118068 /nfs/dbraw/zinc/11/80/68/711118068.db2.gz XJPXQNVUZVGMOU-FQUUOJAGSA-N 1 0 221.344 2.336 20 30 BEEDRO CCNC(NC[C@H]1CCCCC1(F)F)=[NH+]CC ZINC000391039173 711136382 /nfs/dbraw/zinc/13/63/82/711136382.db2.gz PHMHIGUXZABVCP-SNVBAGLBSA-N 1 0 247.333 2.387 20 30 BEEDRO CCNC(NC[C@@H]1CCCCC1(F)F)=[NH+]CC ZINC000391039168 711136479 /nfs/dbraw/zinc/13/64/79/711136479.db2.gz PHMHIGUXZABVCP-JTQLQIEISA-N 1 0 247.333 2.387 20 30 BEEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCO[C@@H](C)C#N ZINC000393756750 711172184 /nfs/dbraw/zinc/17/21/84/711172184.db2.gz BNVZFATYQREQJS-SDDRHHMPSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC[C@H](CC)NC(=O)CC[NH2+]C(C)(C)C ZINC000393814104 711176256 /nfs/dbraw/zinc/17/62/56/711176256.db2.gz UGRGAJBGLJPTRM-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO CCC1(C[NH2+]CC#Cc2ccccc2)COC1 ZINC000393969755 711180451 /nfs/dbraw/zinc/18/04/51/711180451.db2.gz DUWBGACKZJLOTO-UHFFFAOYSA-N 1 0 229.323 2.054 20 30 BEEDRO CC[C@H]([NH2+]CC#Cc1ccccc1)C(C)(C)O ZINC000393982953 711181547 /nfs/dbraw/zinc/18/15/47/711181547.db2.gz WAMKSPSZBHDEEZ-AWEZNQCLSA-N 1 0 231.339 2.177 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C/C=C\C ZINC000395039012 711200725 /nfs/dbraw/zinc/20/07/25/711200725.db2.gz MVTKNGJOUJZJKM-HYXAFXHYSA-N 1 0 215.296 2.364 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000395122993 711201832 /nfs/dbraw/zinc/20/18/32/711201832.db2.gz AASVVGWWBATZQA-ZIAGYGMSSA-N 1 0 235.302 2.251 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000395122990 711202083 /nfs/dbraw/zinc/20/20/83/711202083.db2.gz AASVVGWWBATZQA-UONOGXRCSA-N 1 0 235.302 2.251 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CC#Cc2ccccc2)CO1 ZINC000396594801 711358803 /nfs/dbraw/zinc/35/88/03/711358803.db2.gz NQBQFTVJACGKAH-CQSZACIVSA-N 1 0 229.323 2.195 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399136005 711422446 /nfs/dbraw/zinc/42/24/46/711422446.db2.gz QQXDYJBQLRAYQR-LSDHHAIUSA-N 1 0 244.338 2.410 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000381657023 710667438 /nfs/dbraw/zinc/66/74/38/710667438.db2.gz FMLFLEVQQIPNCS-LBPRGKRZSA-N 1 0 241.400 2.290 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CO[C@@H](C)C2)CC1 ZINC000724587145 710742613 /nfs/dbraw/zinc/74/26/13/710742613.db2.gz ZAKDCFAXJVJOLU-AAEUAGOBSA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccccc1 ZINC000384210266 710833621 /nfs/dbraw/zinc/83/36/21/710833621.db2.gz OPQDYVUJYOYXFN-CQSZACIVSA-N 1 0 230.311 2.017 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000384210793 710834213 /nfs/dbraw/zinc/83/42/13/710834213.db2.gz OSWSQLVEEGFFSW-KBPBESRZSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@@H](C)CCC ZINC000384208065 710832453 /nfs/dbraw/zinc/83/24/53/710832453.db2.gz NZCOQJUOBZEDNT-OUCADQQQSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NCCCCC ZINC000384222872 710835124 /nfs/dbraw/zinc/83/51/24/710835124.db2.gz TVMYNDNVQLZXFS-GXTWGEPZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC001054966090 710942981 /nfs/dbraw/zinc/94/29/81/710942981.db2.gz HBIVXDAEAAMCDI-RYUDHWBXSA-N 1 0 238.375 2.044 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001054966089 710943448 /nfs/dbraw/zinc/94/34/48/710943448.db2.gz HBIVXDAEAAMCDI-NWDGAFQWSA-N 1 0 238.375 2.044 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]C(C)C)C1 ZINC001054966088 710943489 /nfs/dbraw/zinc/94/34/89/710943489.db2.gz HBIVXDAEAAMCDI-NEPJUHHUSA-N 1 0 238.375 2.044 20 30 BEEDRO Cc1nnc([C@H](C)[NH2+]CC(C)(C)CCC#N)[nH]1 ZINC000392386649 711146432 /nfs/dbraw/zinc/14/64/32/711146432.db2.gz QLZPVCGLDKFAID-VIFPVBQESA-N 1 0 235.335 2.094 20 30 BEEDRO CC(C)C[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000396919965 711372640 /nfs/dbraw/zinc/37/26/40/711372640.db2.gz QIDAKQATYWTAJT-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H](C[N@H+](CCC#N)CC(C)C)OC ZINC000397106065 711376525 /nfs/dbraw/zinc/37/65/25/711376525.db2.gz ONJYAEOHHUZIIY-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@@H](C[N@H+](CCC#N)CC(C)C)OC ZINC000397106068 711376839 /nfs/dbraw/zinc/37/68/39/711376839.db2.gz ONJYAEOHHUZIIY-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccoc2)CC1 ZINC000397196983 711379570 /nfs/dbraw/zinc/37/95/70/711379570.db2.gz OHSVUXWHWJWDQP-UHFFFAOYSA-N 1 0 204.273 2.405 20 30 BEEDRO C[C@H](CCO)CC[NH2+]CC#Cc1ccccc1 ZINC000397699457 711389535 /nfs/dbraw/zinc/38/95/35/711389535.db2.gz HSTZNIITWLTGPY-AWEZNQCLSA-N 1 0 231.339 2.036 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399887095 711436572 /nfs/dbraw/zinc/43/65/72/711436572.db2.gz VYSXFTSSZSJCKB-AWEZNQCLSA-N 1 0 243.391 2.430 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC=CCC2)[C@H]1C ZINC001074524668 711442920 /nfs/dbraw/zinc/44/29/20/711442920.db2.gz IYPSDCKVCCCSIM-MJBXVCDLSA-N 1 0 248.370 2.108 20 30 BEEDRO C[N@H+](CCNc1ccnc(C#N)c1)C1CCCC1 ZINC000071377529 711494729 /nfs/dbraw/zinc/49/47/29/711494729.db2.gz CAYCSKMIWCXFLK-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C(Cl)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000306592186 711503102 /nfs/dbraw/zinc/50/31/02/711503102.db2.gz WFPZTPXRHWPUEI-LSJOCFKGSA-N 1 0 216.756 2.044 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723638499 711529020 /nfs/dbraw/zinc/52/90/20/711529020.db2.gz NYTIVXQQFSWUKF-JHJVBQTASA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723644916 711529336 /nfs/dbraw/zinc/52/93/36/711529336.db2.gz STGIWHDUCIUFBW-FRRDWIJNSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723847829 711539054 /nfs/dbraw/zinc/53/90/54/711539054.db2.gz NUIASMKNMUWQEJ-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCOC1 ZINC000724009826 711555431 /nfs/dbraw/zinc/55/54/31/711555431.db2.gz AAHLANFJXHHVCG-SMDDNHRTSA-N 1 0 248.326 2.446 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cncc(C#N)c2)[C@H]1C ZINC000721498732 711563597 /nfs/dbraw/zinc/56/35/97/711563597.db2.gz CGUJRQHUCYKAOB-UTUOFQBUSA-N 1 0 229.327 2.430 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000724157050 711565062 /nfs/dbraw/zinc/56/50/62/711565062.db2.gz LEESXFDLJLHLHY-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000724156025 711565194 /nfs/dbraw/zinc/56/51/94/711565194.db2.gz IRFFGGUVOLQEDR-UONOGXRCSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000724163431 711566022 /nfs/dbraw/zinc/56/60/22/711566022.db2.gz PJBRAUWUZFLTNP-LSDHHAIUSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cncc(C#N)c2)C1 ZINC000721500294 711567054 /nfs/dbraw/zinc/56/70/54/711567054.db2.gz LYBAMBUVWAHICV-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CCCN[C@@H]2C)CC1 ZINC000724444666 711580863 /nfs/dbraw/zinc/58/08/63/711580863.db2.gz HWBNRXUBQDJDFC-OCCSQVGLSA-N 1 0 222.376 2.463 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H]2COC(C)(C)O2)CC1 ZINC000724441414 711581030 /nfs/dbraw/zinc/58/10/30/711581030.db2.gz XWJRMAINLYSATL-ZDUSSCGKSA-N 1 0 239.359 2.474 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724449887 711581237 /nfs/dbraw/zinc/58/12/37/711581237.db2.gz IBBVITBEZAEQHN-MROQNXINSA-N 1 0 224.348 2.472 20 30 BEEDRO C=C1CCC(CNC(NCC)=[NH+]CC)CC1 ZINC000724465165 711581992 /nfs/dbraw/zinc/58/19/92/711581992.db2.gz VKKQIYFWOYHKHS-UHFFFAOYSA-N 1 0 223.364 2.308 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H](O)C2CC2)CC1 ZINC000724548776 711589363 /nfs/dbraw/zinc/58/93/63/711589363.db2.gz GIZQTERVGYXTEB-ZDUSSCGKSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CCCCN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717024763 711590786 /nfs/dbraw/zinc/59/07/86/711590786.db2.gz DIEWFTYZAYWCSH-ZJUUUORDSA-N 1 0 236.281 2.164 20 30 BEEDRO C=C(Cl)C[NH2+][C@]1(CCC)CCOC1 ZINC000382274337 711592343 /nfs/dbraw/zinc/59/23/43/711592343.db2.gz CAPUWRUFSJVLCC-SNVBAGLBSA-N 1 0 203.713 2.288 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCn2ccnc21 ZINC000926504845 711617820 /nfs/dbraw/zinc/61/78/20/711617820.db2.gz WVKCROKHXYNPIF-WDEREUQCSA-N 1 0 232.331 2.246 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718810638 711664877 /nfs/dbraw/zinc/66/48/77/711664877.db2.gz FHRDLIZQTJBNNC-JHJVBQTASA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000382410606 711657809 /nfs/dbraw/zinc/65/78/09/711657809.db2.gz FQKOZIPCBGFMOF-JHJVBQTASA-N 1 0 241.375 2.371 20 30 BEEDRO C=C(Cl)CN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177838412 711672611 /nfs/dbraw/zinc/67/26/11/711672611.db2.gz ISBMMPPJEBUDTO-LLVKDONJSA-N 1 0 216.756 2.013 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038046782 711676854 /nfs/dbraw/zinc/67/68/54/711676854.db2.gz WDCQSWMYZNYYQK-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000973032486 711678215 /nfs/dbraw/zinc/67/82/15/711678215.db2.gz ZQZLQBWSESUWEI-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000385441956 711710199 /nfs/dbraw/zinc/71/01/99/711710199.db2.gz UBNLDZYUJJDWMH-CABCVRRESA-N 1 0 244.338 2.463 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C3CC3)O2)o1 ZINC000722315177 711734678 /nfs/dbraw/zinc/73/46/78/711734678.db2.gz PNOIUFGTROGNMJ-ZIAGYGMSSA-N 1 0 246.310 2.198 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1ccc(C)c(C)c1 ZINC000893566944 711737100 /nfs/dbraw/zinc/73/71/00/711737100.db2.gz HZHLSFXUNIUNBK-HNNXBMFYSA-N 1 0 233.355 2.373 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1ccc(C)c(C)c1 ZINC000893566946 711737136 /nfs/dbraw/zinc/73/71/36/711737136.db2.gz HZHLSFXUNIUNBK-OAHLLOKOSA-N 1 0 233.355 2.373 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)CC1CCC1 ZINC000389396582 711765502 /nfs/dbraw/zinc/76/55/02/711765502.db2.gz ZHKCKAPPXGMGNQ-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000721263765 711804930 /nfs/dbraw/zinc/80/49/30/711804930.db2.gz VXCLXPNEADNSFW-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000591476915 711827770 /nfs/dbraw/zinc/82/77/70/711827770.db2.gz WZHMVDRNXHWKOH-OLZOCXBDSA-N 1 0 237.343 2.226 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCOCC(C)C)C1 ZINC000829815489 711854250 /nfs/dbraw/zinc/85/42/50/711854250.db2.gz MRGIJVGPVDCRNW-CQSZACIVSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000829815940 711854092 /nfs/dbraw/zinc/85/40/92/711854092.db2.gz WHYLKMYKOHOHAV-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000829815822 711854326 /nfs/dbraw/zinc/85/43/26/711854326.db2.gz ULRVZOINXSEAQF-CHWSQXEVSA-N 1 0 223.360 2.129 20 30 BEEDRO CC1(C)C[N@H+](C[C@H](O)CC#N)Cc2ccccc21 ZINC000930104453 711879699 /nfs/dbraw/zinc/87/96/99/711879699.db2.gz RWNFMCSQEKAAST-CYBMUJFWSA-N 1 0 244.338 2.054 20 30 BEEDRO C=C(CC)CON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000773178101 711938722 /nfs/dbraw/zinc/93/87/22/711938722.db2.gz RQICEJLYNSYYND-LBPRGKRZSA-N 1 0 239.363 2.325 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921754769 711938870 /nfs/dbraw/zinc/93/88/70/711938870.db2.gz MSIQFJYHFWORSK-LBPRGKRZSA-N 1 0 246.354 2.443 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)C[C@H](C)O ZINC000921985832 711951103 /nfs/dbraw/zinc/95/11/03/711951103.db2.gz BYSJPCADOZPJHX-OLZOCXBDSA-N 1 0 246.354 2.424 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC=CCC2)C1 ZINC001032901113 711966926 /nfs/dbraw/zinc/96/69/26/711966926.db2.gz NERYLJPSAAZGPX-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C=C2CCC2)C1 ZINC001032996813 711970761 /nfs/dbraw/zinc/97/07/61/711970761.db2.gz NZJMTABNTYPYCD-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001044388224 711971803 /nfs/dbraw/zinc/97/18/03/711971803.db2.gz FJHZRYKLENGDBH-QWRGUYRKSA-N 1 0 244.766 2.118 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001033332780 711984190 /nfs/dbraw/zinc/98/41/90/711984190.db2.gz PIVUBRQWSOCKLL-HIFRSBDPSA-N 1 0 248.370 2.061 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CSC2)cc1F ZINC000700468531 711993992 /nfs/dbraw/zinc/99/39/92/711993992.db2.gz GFRJCVCYHFXARU-UHFFFAOYSA-N 1 0 236.315 2.150 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701881783 712031415 /nfs/dbraw/zinc/03/14/15/712031415.db2.gz YKSVXFMNJFNKEE-GFCCVEGCSA-N 1 0 232.327 2.381 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCN[C@@H]1C ZINC000701911389 712031998 /nfs/dbraw/zinc/03/19/98/712031998.db2.gz VSPJREVICDONIX-NEPJUHHUSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000701905638 712032088 /nfs/dbraw/zinc/03/20/88/712032088.db2.gz LTFOOUHATGLTIQ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2ccco2)C1 ZINC001034078900 712039416 /nfs/dbraw/zinc/03/94/16/712039416.db2.gz SBSURKAAJNWESD-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cncc(OC)c1)C(C)(C)C ZINC000702245555 712041602 /nfs/dbraw/zinc/04/16/02/712041602.db2.gz KOGUVEIEGVFCKG-CYBMUJFWSA-N 1 0 232.327 2.228 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000702254801 712041851 /nfs/dbraw/zinc/04/18/51/712041851.db2.gz CLKQYGHCNLCOPG-SNVBAGLBSA-N 1 0 217.740 2.329 20 30 BEEDRO C#C[C@H]([NH2+]CCC1CCOCC1)C(C)(C)C ZINC000702272905 712043794 /nfs/dbraw/zinc/04/37/94/712043794.db2.gz OBJSFWVBHOKEHK-ZDUSSCGKSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001034158135 712044007 /nfs/dbraw/zinc/04/40/07/712044007.db2.gz FRGHYYXHTPQEAR-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(CO)cc1)C(C)(C)C ZINC000702286810 712045140 /nfs/dbraw/zinc/04/51/40/712045140.db2.gz ZZXZKHAPKTUVLB-AWEZNQCLSA-N 1 0 231.339 2.316 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001034162111 712046320 /nfs/dbraw/zinc/04/63/20/712046320.db2.gz WWCGNIHYVZASGB-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCC2(CC2)CC1 ZINC000702819989 712061337 /nfs/dbraw/zinc/06/13/37/712061337.db2.gz IIHIPUDVJJRHFQ-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC(F)(F)CC1 ZINC000702827001 712061383 /nfs/dbraw/zinc/06/13/83/712061383.db2.gz IIAHNDPKAGWJCU-JTQLQIEISA-N 1 0 232.274 2.036 20 30 BEEDRO COC1CC(C[N@H+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000703398321 712075517 /nfs/dbraw/zinc/07/55/17/712075517.db2.gz ODTHRIJIRKVPGY-MVKMKZAISA-N 1 0 222.332 2.035 20 30 BEEDRO CCCCCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000703709044 712083868 /nfs/dbraw/zinc/08/38/68/712083868.db2.gz QCWQZEXCIOJCJE-GFCCVEGCSA-N 1 0 239.363 2.094 20 30 BEEDRO CCCCCCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000703751450 712085445 /nfs/dbraw/zinc/08/54/45/712085445.db2.gz CJVCLSHMJIKDRV-GHMZBOCLSA-N 1 0 214.353 2.056 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000703759714 712086909 /nfs/dbraw/zinc/08/69/09/712086909.db2.gz JDNYAASYEFAEMG-STQMWFEESA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000703782757 712087308 /nfs/dbraw/zinc/08/73/08/712087308.db2.gz NVTVZTHVXJFNGV-LLVKDONJSA-N 1 0 226.364 2.214 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cncc(OC)c1 ZINC000704125645 712100656 /nfs/dbraw/zinc/10/06/56/712100656.db2.gz KAQCIPOUWVWZBV-JTQLQIEISA-N 1 0 206.289 2.144 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000705019248 712121703 /nfs/dbraw/zinc/12/17/03/712121703.db2.gz JKRDDXWUNBUAAO-JQWIXIFHSA-N 1 0 231.286 2.144 20 30 BEEDRO C=CC[C@@H]1CCCN(c2cc(C)[nH+]c(N)n2)C1 ZINC000705925598 712137921 /nfs/dbraw/zinc/13/79/21/712137921.db2.gz FVHQOLVIRSXXEN-LLVKDONJSA-N 1 0 232.331 2.160 20 30 BEEDRO C=CC[NH+]1CC2(C1)CCN(C(=O)/C(C)=C/C)CC2 ZINC001035684400 712139510 /nfs/dbraw/zinc/13/95/10/712139510.db2.gz RZOGZTDNEZLVBT-WLRTZDKTSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000706216101 712140949 /nfs/dbraw/zinc/14/09/49/712140949.db2.gz SATPDAYHCBLAPD-JTQLQIEISA-N 1 0 217.740 2.222 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000706412195 712146123 /nfs/dbraw/zinc/14/61/23/712146123.db2.gz UIRLDUUOLCGZFH-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC)C[C@@H]1C ZINC001035876058 712146461 /nfs/dbraw/zinc/14/64/61/712146461.db2.gz SONDHHNDZIPVOL-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)C[C@@H]1C ZINC001035994080 712152412 /nfs/dbraw/zinc/15/24/12/712152412.db2.gz VXPJKUYQIFREFQ-GXTWGEPZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)C[C@H]1C ZINC001035994083 712152447 /nfs/dbraw/zinc/15/24/47/712152447.db2.gz VXPJKUYQIFREFQ-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000706969433 712161078 /nfs/dbraw/zinc/16/10/78/712161078.db2.gz WOZYWQHZHRKZSV-WCQYABFASA-N 1 0 228.295 2.161 20 30 BEEDRO C=CCSCC[NH2+]C1CC(SC)C1 ZINC000706946807 712162971 /nfs/dbraw/zinc/16/29/71/712162971.db2.gz RAJNFXJADWTCFA-UHFFFAOYSA-N 1 0 217.403 2.389 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000708382295 712191845 /nfs/dbraw/zinc/19/18/45/712191845.db2.gz YTTDCTFDLRMFOZ-AWEZNQCLSA-N 1 0 244.338 2.463 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000708822047 712199997 /nfs/dbraw/zinc/19/99/97/712199997.db2.gz JCYJPHFWVITHQZ-YNEHKIRRSA-N 1 0 223.360 2.175 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709704556 712216213 /nfs/dbraw/zinc/21/62/13/712216213.db2.gz KWFMOLLPUYIEQU-MNOVXSKESA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCCCCO ZINC000709980257 712236819 /nfs/dbraw/zinc/23/68/19/712236819.db2.gz MOQHFCRBRPIALD-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO C=C(Cl)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000710602486 712264040 /nfs/dbraw/zinc/26/40/40/712264040.db2.gz TZRAIJFQAGRWBK-VIFPVBQESA-N 1 0 228.727 2.077 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](CF)C2)c1F ZINC000711435811 712299761 /nfs/dbraw/zinc/29/97/61/712299761.db2.gz PWJAMMSAWLSJSK-JTQLQIEISA-N 1 0 236.265 2.489 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711435866 712300244 /nfs/dbraw/zinc/30/02/44/712300244.db2.gz RNEDMMYSNOTXES-GFCCVEGCSA-N 1 0 248.301 2.358 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2C=CCC2)o1 ZINC000711656364 712315310 /nfs/dbraw/zinc/31/53/10/712315310.db2.gz SELMEKBIGHRUKV-JTQLQIEISA-N 1 0 202.257 2.207 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711677455 712315818 /nfs/dbraw/zinc/31/58/18/712315818.db2.gz BNQCLZDFQAWJHU-UKRRQHHQSA-N 1 0 242.322 2.147 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H]2C=CCC2)cc1 ZINC000711677454 712315845 /nfs/dbraw/zinc/31/58/45/712315845.db2.gz BNQCLZDFQAWJHU-HIFRSBDPSA-N 1 0 242.322 2.147 20 30 BEEDRO C=C(CC)C[NH2+]Cc1nccn1C1CC1 ZINC000711798871 712331587 /nfs/dbraw/zinc/33/15/87/712331587.db2.gz HLQIRJYHCOQOFN-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CC1 ZINC000711848730 712335055 /nfs/dbraw/zinc/33/50/55/712335055.db2.gz VSWPKXAELQSRAS-KBPBESRZSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCCC2)C1 ZINC001079564396 712349841 /nfs/dbraw/zinc/34/98/41/712349841.db2.gz FYNNJSOMPLRMET-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000383015423 712367088 /nfs/dbraw/zinc/36/70/88/712367088.db2.gz CCULCHZDTSTCSF-RBSFLKMASA-N 1 0 236.403 2.356 20 30 BEEDRO CC[C@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000379777876 712398953 /nfs/dbraw/zinc/39/89/53/712398953.db2.gz AWMZWNNPPOJJQY-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC(C)(C)CC1 ZINC000379787204 712399373 /nfs/dbraw/zinc/39/93/73/712399373.db2.gz FTLWVCVZLQAJCF-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000712377754 712428056 /nfs/dbraw/zinc/42/80/56/712428056.db2.gz OUMFDPJTLQILAQ-QWHCGFSZSA-N 1 0 221.344 2.480 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000712612750 712438024 /nfs/dbraw/zinc/43/80/24/712438024.db2.gz CEQGUFPBTWNWOS-IUODEOHRSA-N 1 0 243.354 2.303 20 30 BEEDRO CCN1CC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000712546297 712443729 /nfs/dbraw/zinc/44/37/29/712443729.db2.gz CNHJGOBAIJIPLZ-LBPRGKRZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=C1CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC1 ZINC000713056905 712452055 /nfs/dbraw/zinc/45/20/55/712452055.db2.gz GGQKGVYOJJLFGF-LBPRGKRZSA-N 1 0 238.375 2.175 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCOC(F)(F)F ZINC000713385509 712458808 /nfs/dbraw/zinc/45/88/08/712458808.db2.gz IAINNMITTQVRQH-VIFPVBQESA-N 1 0 223.238 2.304 20 30 BEEDRO C=C/C=C\CC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000713498539 712462908 /nfs/dbraw/zinc/46/29/08/712462908.db2.gz AQHXLYQRTSFMRO-JZIMQPMSSA-N 1 0 242.322 2.314 20 30 BEEDRO C=C/C=C/CC[NH2+]Cc1nc(C#N)cs1 ZINC000713499960 712463416 /nfs/dbraw/zinc/46/34/16/712463416.db2.gz RFVQGXBIJAXFSA-ONEGZZNKSA-N 1 0 219.313 2.237 20 30 BEEDRO CC1(C)CC[C@@H](C[NH+]2CCC(C#N)CC2)OC1 ZINC000713617461 712467384 /nfs/dbraw/zinc/46/73/84/712467384.db2.gz DTHKLMPEBRLMMB-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000036785336 712495410 /nfs/dbraw/zinc/49/54/10/712495410.db2.gz PBSRXHZFAWLBJJ-NHYWBVRUSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CC[C@H](C)[N@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000714995252 712503021 /nfs/dbraw/zinc/50/30/21/712503021.db2.gz GIZDYDDCSWJNSS-AEGPPILISA-N 1 0 230.355 2.378 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000714999377 712503682 /nfs/dbraw/zinc/50/36/82/712503682.db2.gz AGSJIVJKORGWIN-IVZWLZJFSA-N 1 0 236.281 2.020 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000715042665 712504794 /nfs/dbraw/zinc/50/47/94/712504794.db2.gz FCFUEMZNYQFMML-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000715742404 712531354 /nfs/dbraw/zinc/53/13/54/712531354.db2.gz YMLIPOGECVZELB-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC000715851398 712536479 /nfs/dbraw/zinc/53/64/79/712536479.db2.gz CHGXFFSOLHFROQ-QWRGUYRKSA-N 1 0 222.336 2.303 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037196120 712552390 /nfs/dbraw/zinc/55/23/90/712552390.db2.gz ZEWIWVSOSTXQAM-NEPJUHHUSA-N 1 0 248.326 2.274 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037196122 712552628 /nfs/dbraw/zinc/55/26/28/712552628.db2.gz ZEWIWVSOSTXQAM-VXGBXAGGSA-N 1 0 248.326 2.274 20 30 BEEDRO CC(C)(O)C1CC[NH+](CCCCC#N)CC1 ZINC000716416601 712559615 /nfs/dbraw/zinc/55/96/15/712559615.db2.gz UTGSABONSMNJTC-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO COc1cc(C[N@H+](C)CCCF)ccc1C#N ZINC000716719172 712570875 /nfs/dbraw/zinc/57/08/75/712570875.db2.gz UEGWYFBUYHVOAI-UHFFFAOYSA-N 1 0 236.290 2.358 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cccc(C#N)c1 ZINC000716811615 712575833 /nfs/dbraw/zinc/57/58/33/712575833.db2.gz OHRYIVKHXBRZCA-SMDDNHRTSA-N 1 0 232.327 2.197 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cccc(C#N)c1 ZINC000716811612 712575858 /nfs/dbraw/zinc/57/58/58/712575858.db2.gz OHRYIVKHXBRZCA-FZMZJTMJSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]CCC(C)(C)SC ZINC000716817405 712576507 /nfs/dbraw/zinc/57/65/07/712576507.db2.gz FCWNZTSJXLTCBE-NSHDSACASA-N 1 0 229.389 2.146 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000716823439 712576759 /nfs/dbraw/zinc/57/67/59/712576759.db2.gz ZHBKEEFCTPGCKQ-BFHYXJOUSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000716829540 712577271 /nfs/dbraw/zinc/57/72/71/712577271.db2.gz SESGADXKHLUPBS-WCQYABFASA-N 1 0 237.368 2.307 20 30 BEEDRO Cc1ccc([C@@H](C)[N@H+](C)C[C@H](O)CC#N)cc1 ZINC000809572879 712584512 /nfs/dbraw/zinc/58/45/12/712584512.db2.gz VTBKPXMEMUMJCL-TZMCWYRMSA-N 1 0 232.327 2.262 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1 ZINC000809639464 712584757 /nfs/dbraw/zinc/58/47/57/712584757.db2.gz VNQXCDPWLKWIQK-DOMZBBRYSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1 ZINC000809639470 712584837 /nfs/dbraw/zinc/58/48/37/712584837.db2.gz VNQXCDPWLKWIQK-WFASDCNBSA-N 1 0 229.323 2.325 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC(C#N)CC1 ZINC000813335053 712588030 /nfs/dbraw/zinc/58/80/30/712588030.db2.gz IZMYCOYFDWAZJX-LLVKDONJSA-N 1 0 205.305 2.162 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[NH+]1CC(CC#N)C1 ZINC000826986222 712592848 /nfs/dbraw/zinc/59/28/48/712592848.db2.gz REWBBRQSHVEAKL-UHFFFAOYSA-N 1 0 243.354 2.407 20 30 BEEDRO C#CC1CC[NH+](Cc2cnccc2C)CC1 ZINC000830343277 712594939 /nfs/dbraw/zinc/59/49/39/712594939.db2.gz QTOOUNQNMAGAMJ-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)c2ccccn2)CC1 ZINC000830343506 712594971 /nfs/dbraw/zinc/59/49/71/712594971.db2.gz XZJGEUQNKLLWOG-GFCCVEGCSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](C)CC(C)C ZINC000716930096 712596857 /nfs/dbraw/zinc/59/68/57/712596857.db2.gz XRQVNJRKYXKQCN-STQMWFEESA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H]1CCc2ccccc2C1 ZINC000716932355 712597091 /nfs/dbraw/zinc/59/70/91/712597091.db2.gz DJNXXYOQPHDKFV-HOTGVXAUSA-N 1 0 243.350 2.172 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CCc1ccco1 ZINC000716933474 712597224 /nfs/dbraw/zinc/59/72/24/712597224.db2.gz IFHBRIFRTRUCTR-CHWSQXEVSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000716942771 712598129 /nfs/dbraw/zinc/59/81/29/712598129.db2.gz CEXKTQWQZLRXIR-IUODEOHRSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cc1ccccc1F ZINC000716950713 712599019 /nfs/dbraw/zinc/59/90/19/712599019.db2.gz XGKVOOSSZPWFOJ-TZMCWYRMSA-N 1 0 249.329 2.385 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000848923531 712610273 /nfs/dbraw/zinc/61/02/73/712610273.db2.gz MKDGHWLKIFSISC-LBPRGKRZSA-N 1 0 243.306 2.261 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000848923566 712610325 /nfs/dbraw/zinc/61/03/25/712610325.db2.gz NEZSDJYTOQZQSW-LLVKDONJSA-N 1 0 249.383 2.054 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccoc2)CC1 ZINC000717405528 712655526 /nfs/dbraw/zinc/65/55/26/712655526.db2.gz KSUPIHUWQWZWMA-UHFFFAOYSA-N 1 0 221.300 2.183 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000717424955 712658187 /nfs/dbraw/zinc/65/81/87/712658187.db2.gz QQJPYXICZRXJSY-UHFFFAOYSA-N 1 0 234.343 2.083 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CO)CCC1 ZINC000717649546 712663059 /nfs/dbraw/zinc/66/30/59/712663059.db2.gz NVRIEAJJMXZZMH-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000717698366 712665322 /nfs/dbraw/zinc/66/53/22/712665322.db2.gz DYZYKRKQMQFDAZ-RRFJBIMHSA-N 1 0 235.371 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CCC)[C@@H]1CC1(C)C ZINC000717727195 712667599 /nfs/dbraw/zinc/66/75/99/712667599.db2.gz HMKGUWAHVCEFOG-AGIUHOORSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccccc1C1CC1 ZINC000717741547 712668465 /nfs/dbraw/zinc/66/84/65/712668465.db2.gz WLVXFGVLGMPSHM-CQSZACIVSA-N 1 0 229.323 2.038 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000717748352 712669120 /nfs/dbraw/zinc/66/91/20/712669120.db2.gz IPUHQUXJFPWNJU-JHJVBQTASA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CC1CCCC1 ZINC000717761110 712673679 /nfs/dbraw/zinc/67/36/79/712673679.db2.gz PBTDHOWVVJRHHK-OCCSQVGLSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000717788486 712677721 /nfs/dbraw/zinc/67/77/21/712677721.db2.gz SKQGLTJDLDQBIU-HZPDHXFCSA-N 1 0 245.366 2.400 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CCCCC ZINC000717795882 712678040 /nfs/dbraw/zinc/67/80/40/712678040.db2.gz VVSZLOBZXCIAIR-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000717832883 712683522 /nfs/dbraw/zinc/68/35/22/712683522.db2.gz ZEWHZZQKVIUYTA-HTXSYXIBSA-N 1 0 235.371 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000717832885 712683531 /nfs/dbraw/zinc/68/35/31/712683531.db2.gz ZEWHZZQKVIUYTA-RUOPDXTDSA-N 1 0 235.371 2.175 20 30 BEEDRO C#CC[N@H+](Cc1ccc2c(c1)CCO2)C1CC1 ZINC000274112089 712690147 /nfs/dbraw/zinc/69/01/47/712690147.db2.gz LOIIYGPFAZDQCF-UHFFFAOYSA-N 1 0 227.307 2.219 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)CCC)[C@H]1CCCO1 ZINC000389895679 712690912 /nfs/dbraw/zinc/69/09/12/712690912.db2.gz YRPXBRYQGYTVBH-FRRDWIJNSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000717841102 712691771 /nfs/dbraw/zinc/69/17/71/712691771.db2.gz OGAUNCCXLYGTFV-MGPQQGTHSA-N 1 0 223.360 2.177 20 30 BEEDRO CC(C)(C[NH2+]CCC#N)c1ccccc1 ZINC000037862926 712776116 /nfs/dbraw/zinc/77/61/16/712776116.db2.gz GBTURWKNIHEBDN-UHFFFAOYSA-N 1 0 202.301 2.467 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718761886 712781272 /nfs/dbraw/zinc/78/12/72/712781272.db2.gz UWFJOQADFXMBPZ-CHWSQXEVSA-N 1 0 241.400 2.290 20 30 BEEDRO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCCC(C)(C)C#N ZINC000718919885 712787779 /nfs/dbraw/zinc/78/77/79/712787779.db2.gz OFVYHTNHPQZGQE-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC000719578198 712811594 /nfs/dbraw/zinc/81/15/94/712811594.db2.gz UKRKKTQGRGFFKZ-DGCLKSJQSA-N 1 0 244.342 2.075 20 30 BEEDRO C[C@H]1[C@@H](Nc2ccc(F)cc2C#N)CC[N@@H+]1C ZINC000719761167 712823647 /nfs/dbraw/zinc/82/36/47/712823647.db2.gz YTVTYLAUFHZFLN-CABZTGNLSA-N 1 0 233.290 2.202 20 30 BEEDRO C#CCCCCC[N@@H+]1CCO[C@@H](C)CC1 ZINC000720400096 712838478 /nfs/dbraw/zinc/83/84/78/712838478.db2.gz PXMUVMYVVAGISY-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC(C)C)[C@H]1CCCO1 ZINC000380312602 712873780 /nfs/dbraw/zinc/87/37/80/712873780.db2.gz HQSQYSSTDZOEOJ-FRRDWIJNSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+]CC(CC)CC)[C@H]1CCCO1 ZINC000380335971 712888253 /nfs/dbraw/zinc/88/82/53/712888253.db2.gz PZLGEKNUSFSXTF-QWHCGFSZSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCC[NH2+][C@@H](CCO)c1cccs1 ZINC000380342045 712889477 /nfs/dbraw/zinc/88/94/77/712889477.db2.gz RYCPDWFSQXMBAN-NSHDSACASA-N 1 0 223.341 2.175 20 30 BEEDRO C[C@H](C#N)OCC[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000692984199 957227707 /nfs/dbraw/zinc/22/77/07/957227707.db2.gz YELRHKBWUJITKW-HYWTVENDSA-N 1 0 222.332 2.178 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC)C1 ZINC001266320728 957228785 /nfs/dbraw/zinc/22/87/85/957228785.db2.gz FCRSLYQREGRJIR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCN1CC[NH+](CCCCCCC=C)CC1 ZINC001209440292 957472955 /nfs/dbraw/zinc/47/29/55/957472955.db2.gz FQYYXUJSWHLDLR-UHFFFAOYSA-N 1 0 234.387 2.374 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693099635 957672916 /nfs/dbraw/zinc/67/29/16/957672916.db2.gz APKZJFBVNHZIRC-CHWFTXMASA-N 1 0 228.286 2.369 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CCCC)C1 ZINC001267016010 958753171 /nfs/dbraw/zinc/75/31/71/958753171.db2.gz BXKXHTOMJIZRTO-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC1(F)CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140540218 958824831 /nfs/dbraw/zinc/82/48/31/958824831.db2.gz NATXDVCRRAQSGK-UHFFFAOYSA-N 1 0 233.290 2.277 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)[C@@H](F)CC)C(C)C ZINC001267308251 959402151 /nfs/dbraw/zinc/40/21/51/959402151.db2.gz QYCIRCMGACSUSE-LBPRGKRZSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCCCC(=O)N(C)CC[NH2+]CC(=C)Cl ZINC001267421602 959649151 /nfs/dbraw/zinc/64/91/51/959649151.db2.gz IATWOMLVJSXRMX-UHFFFAOYSA-N 1 0 244.766 2.143 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)C(C)(C)C ZINC001267459055 959680753 /nfs/dbraw/zinc/68/07/53/959680753.db2.gz XWMUJZSHOYMFNX-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC1(C)C ZINC001125793266 959749955 /nfs/dbraw/zinc/74/99/55/959749955.db2.gz VZKCRAFGHJVKPW-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C(C)=C1CCC1 ZINC001481228206 960272763 /nfs/dbraw/zinc/27/27/63/960272763.db2.gz VEZPRVKDFWFXRO-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CCC(CC=C)C(=O)N(C)CC[NH2+]C(C)C ZINC001481234042 960277584 /nfs/dbraw/zinc/27/75/84/960277584.db2.gz NMFDTESKVPEORT-UHFFFAOYSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[NH2+]C[C@@](C)(NC(=O)[C@H](C)CC)C1CC1 ZINC001267848991 960434141 /nfs/dbraw/zinc/43/41/41/960434141.db2.gz LSXJJFXHODSPOT-BXUZGUMPSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCCn1cccn1 ZINC000695809404 960489394 /nfs/dbraw/zinc/48/93/94/960489394.db2.gz KDSFTLAWCKKLEG-LBPRGKRZSA-N 1 0 234.347 2.191 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC=CCC1 ZINC000695861451 960534008 /nfs/dbraw/zinc/53/40/08/960534008.db2.gz AFXGNHDINJZTED-CYBMUJFWSA-N 1 0 235.375 2.166 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2[nH]cc(C)c2C)C1 ZINC001140862364 960639758 /nfs/dbraw/zinc/63/97/58/960639758.db2.gz BRFHYEHJOQMDIJ-ZDUSSCGKSA-N 1 0 216.328 2.477 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](CC)[NH2+]CC(C)C ZINC001481816218 961834208 /nfs/dbraw/zinc/83/42/08/961834208.db2.gz CIRDIHVXLJCFLM-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(C)CC=CC1 ZINC001268699740 962291021 /nfs/dbraw/zinc/29/10/21/962291021.db2.gz BBPWKUDLLPWJFA-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CCC ZINC001268743728 962326603 /nfs/dbraw/zinc/32/66/03/962326603.db2.gz PQPUYUOZSCEWKS-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C[N@@H+](C)CC(C)C ZINC001268743202 962327627 /nfs/dbraw/zinc/32/76/27/962327627.db2.gz PFXIHSCGEBZWFM-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC ZINC001268729472 962323757 /nfs/dbraw/zinc/32/37/57/962323757.db2.gz NIHDPFPZUWPCTM-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)CCC(C)C ZINC001154454016 962778466 /nfs/dbraw/zinc/77/84/66/962778466.db2.gz GSXVJRXTIVIZEN-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C(=C)C ZINC001482317324 963079123 /nfs/dbraw/zinc/07/91/23/963079123.db2.gz QBQNVHSYZWSTRO-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001482319247 963082159 /nfs/dbraw/zinc/08/21/59/963082159.db2.gz JDKGPPAGFVMGAX-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C=C(C)C ZINC001270888129 963256804 /nfs/dbraw/zinc/25/68/04/963256804.db2.gz ORRHHHDJHFPNGX-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO Cc1cc(NC2=CCC[NH2+]C2)ccc1C#N ZINC001159752950 964183964 /nfs/dbraw/zinc/18/39/64/964183964.db2.gz HIQYJVFFEGVINC-UHFFFAOYSA-N 1 0 213.284 2.156 20 30 BEEDRO C=C(C)C(=O)N[C@H]1CC[C@@H]([NH+](CC)CC)CC1 ZINC001142519096 964359174 /nfs/dbraw/zinc/35/91/74/964359174.db2.gz UMBWLSATMJIVDX-BETUJISGSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CCCO[C@H]1C[NH+]2CCC1CC2 ZINC001224279042 964522576 /nfs/dbraw/zinc/52/25/76/964522576.db2.gz LOJSULXYYFFXAP-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@](C)(F)CCCC ZINC001483241517 964941221 /nfs/dbraw/zinc/94/12/21/964941221.db2.gz AWDLENSXEVCBHQ-WCQYABFASA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C(CC)CC)C1CC1 ZINC001483544597 965034857 /nfs/dbraw/zinc/03/48/57/965034857.db2.gz AJYYZEFDUQBMNV-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC(C)=C(C)C ZINC001164057010 965719951 /nfs/dbraw/zinc/71/99/51/965719951.db2.gz CAZILXGCTJKWPZ-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@]1(C)C=CCC1 ZINC001164140797 965755080 /nfs/dbraw/zinc/75/50/80/965755080.db2.gz PBLBSMKPUOKAOD-CQSZACIVSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C(C)(C)CC ZINC001165566615 966133240 /nfs/dbraw/zinc/13/32/40/966133240.db2.gz ZFVWXKBOULDTKJ-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C(C)(C)CCC ZINC001165591193 966133923 /nfs/dbraw/zinc/13/39/23/966133923.db2.gz QGCYLHZTNHKLSQ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC[C@@H]([NH3+])C2)CC1 ZINC001236167378 966281695 /nfs/dbraw/zinc/28/16/95/966281695.db2.gz BZVDCOIRJNIDGT-ZIAGYGMSSA-N 1 0 220.360 2.322 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)/C(C)=C\CC ZINC001716472416 1165760379 /nfs/dbraw/zinc/76/03/79/1165760379.db2.gz HUJYATTVBULLTA-KIWPFMIBSA-N 1 0 238.375 2.355 20 30 BEEDRO CC#CCCCC(=O)N[C@H](C)CCC[NH2+]CC ZINC001485735421 966632148 /nfs/dbraw/zinc/63/21/48/966632148.db2.gz GTCMUVBBYLGYBO-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)nc(C)c1 ZINC001203472727 966659819 /nfs/dbraw/zinc/65/98/19/966659819.db2.gz YRPQUKMUWJVJKL-AWEZNQCLSA-N 1 0 234.343 2.115 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001690981684 1165798724 /nfs/dbraw/zinc/79/87/24/1165798724.db2.gz ALABMNQWXUIYRI-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]CCCC ZINC001485852800 967289763 /nfs/dbraw/zinc/28/97/63/967289763.db2.gz FGGSKMGGJUPTBR-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168680774 967289788 /nfs/dbraw/zinc/28/97/88/967289788.db2.gz VRGUYEVTZPCTTD-JTQLQIEISA-N 1 0 205.688 2.030 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]C[C@H](C)CC ZINC001128408698 967547089 /nfs/dbraw/zinc/54/70/89/967547089.db2.gz AWQWDYFOLSALDR-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc2occc2c1 ZINC001648846840 1165872643 /nfs/dbraw/zinc/87/26/43/1165872643.db2.gz GDIAHFZMXZZDII-UHFFFAOYSA-N 1 0 244.294 2.489 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCCN(CC)C1 ZINC001205551234 967693030 /nfs/dbraw/zinc/69/30/30/967693030.db2.gz OWKURDJOWINGSF-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C[NH+](C)[C@H]1CC[C@H](OCCCC#N)CC1 ZINC001205632393 967733530 /nfs/dbraw/zinc/73/35/30/967733530.db2.gz WGFIQSBXPJHAQH-HAQNSBGRSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)CCC ZINC001753951957 1165894253 /nfs/dbraw/zinc/89/42/53/1165894253.db2.gz MELRMZNKNLVBJS-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000069767916 1165904576 /nfs/dbraw/zinc/90/45/76/1165904576.db2.gz SJDRGPGJDAXTSA-GFCCVEGCSA-N 1 0 217.312 2.239 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(CC(C)C)CC1 ZINC001129057919 967888112 /nfs/dbraw/zinc/88/81/12/967888112.db2.gz RLOCREASJUKHIT-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)C1=CCCC1)C1CC1 ZINC001670458717 1165908462 /nfs/dbraw/zinc/90/84/62/1165908462.db2.gz CFTODTCBIWYGJX-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO C#CC1(O)CC[NH+](CCC2=CCCCC2)CC1 ZINC000708164895 967939944 /nfs/dbraw/zinc/93/99/44/967939944.db2.gz GBULUUYUNVFBKY-UHFFFAOYSA-N 1 0 233.355 2.337 20 30 BEEDRO C=CC[N@H+]1CCC[C@](C)(CNC(=O)CCC)C1 ZINC001278641889 968448438 /nfs/dbraw/zinc/44/84/38/968448438.db2.gz SFNQGULXEBUCMV-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001206751131 968453835 /nfs/dbraw/zinc/45/38/35/968453835.db2.gz VITPTQDLWSAIKT-ITGUQSILSA-N 1 0 209.333 2.309 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@@H+]1C(C)C ZINC001670678171 1165986588 /nfs/dbraw/zinc/98/65/88/1165986588.db2.gz ZCHSQEAOLBXOMZ-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CCC ZINC001670686302 1165990924 /nfs/dbraw/zinc/99/09/24/1165990924.db2.gz DTFOLTXXAPMDHY-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001670687862 1165991109 /nfs/dbraw/zinc/99/11/09/1165991109.db2.gz YIBMVZAIEOMMTR-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CC[N@H+]1CCC ZINC001670686303 1165992258 /nfs/dbraw/zinc/99/22/58/1165992258.db2.gz DTFOLTXXAPMDHY-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC000167486577 1166018680 /nfs/dbraw/zinc/01/86/80/1166018680.db2.gz GXQKNLXZBFUSRC-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC000167486772 1166017406 /nfs/dbraw/zinc/01/74/06/1166017406.db2.gz GXQKNLXZBFUSRC-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C[S@](C)=O ZINC000252816248 1166054391 /nfs/dbraw/zinc/05/43/91/1166054391.db2.gz WKJZBEJOSTWMQO-MJVIPROJSA-N 1 0 217.378 2.088 20 30 BEEDRO CC[N@H+](CCC#N)C[C@@H]1CCOC(C)(C)C1 ZINC001207359157 968738269 /nfs/dbraw/zinc/73/82/69/968738269.db2.gz VCDBBKJQDXSPTK-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CCCC)C1 ZINC001207372137 968746063 /nfs/dbraw/zinc/74/60/63/968746063.db2.gz BGLPGTHLAHSFIF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[NH2+]1 ZINC000083814881 1166120140 /nfs/dbraw/zinc/12/01/40/1166120140.db2.gz VPAUSWYPDJZHFP-SECBINFHSA-N 1 0 235.718 2.010 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC12CCCCC2 ZINC001252551225 968790835 /nfs/dbraw/zinc/79/08/35/968790835.db2.gz UBNAJRQOWMKNSO-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=C(C)c1cccc(NC(=O)CC[NH3+])c1 ZINC000083911218 1166131998 /nfs/dbraw/zinc/13/19/98/1166131998.db2.gz YJPXZRNVELMACF-UHFFFAOYSA-N 1 0 204.273 2.007 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](F)CC1 ZINC001252593572 968852416 /nfs/dbraw/zinc/85/24/16/968852416.db2.gz KLLXGPGDKCGMOG-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CC)Cc1cccnc1 ZINC001252600119 968857401 /nfs/dbraw/zinc/85/74/01/968857401.db2.gz XGAUPQCOFJFKNE-AWEZNQCLSA-N 1 0 234.343 2.231 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ncccc1Cl ZINC001252616158 968875017 /nfs/dbraw/zinc/87/50/17/968875017.db2.gz KYLZNGPOAAQXCO-JTQLQIEISA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCC(F)(F)F ZINC001252619118 968880083 /nfs/dbraw/zinc/88/00/83/968880083.db2.gz BITKFSFOJBQNLG-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001691149076 1166149228 /nfs/dbraw/zinc/14/92/28/1166149228.db2.gz LLDOHKBVJNFGKS-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1CC(OC)(OC)C1 ZINC001207855160 968903745 /nfs/dbraw/zinc/90/37/45/968903745.db2.gz RIJSMSOCZQQONP-LLVKDONJSA-N 1 0 227.348 2.330 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](CCC)CCNC(C)=O ZINC001691173786 1166154678 /nfs/dbraw/zinc/15/46/78/1166154678.db2.gz LHMVNMDCAFDGAG-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCCCC[NH2+]C1COCCOC1 ZINC000390675725 1166165852 /nfs/dbraw/zinc/16/58/52/1166165852.db2.gz XKJFOQJVJNCQKC-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC(C)(C)C ZINC001266924130 1166185383 /nfs/dbraw/zinc/18/53/83/1166185383.db2.gz WKTAIFDJQBUSMR-JTQLQIEISA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C(CC)CC ZINC001266924010 1166184376 /nfs/dbraw/zinc/18/43/76/1166184376.db2.gz UBLZWBHBSOHOBT-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC ZINC001691391921 1166208936 /nfs/dbraw/zinc/20/89/36/1166208936.db2.gz GNZAAMGDJSPHKF-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC1 ZINC001754299947 1166225943 /nfs/dbraw/zinc/22/59/43/1166225943.db2.gz ZSJRGHSNSVSUFI-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H](O)CC ZINC001253247388 969117545 /nfs/dbraw/zinc/11/75/45/969117545.db2.gz ISYBTXCPEFNZNV-ZIAGYGMSSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCCO ZINC001253228184 969117437 /nfs/dbraw/zinc/11/74/37/969117437.db2.gz QJWVQHLSCOOCPE-AWEZNQCLSA-N 1 0 243.391 2.236 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCCN(C)C1 ZINC001208609454 969164097 /nfs/dbraw/zinc/16/40/97/969164097.db2.gz JTLHBFHOTITVIX-CYBMUJFWSA-N 1 0 210.365 2.226 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCSC ZINC000228915160 1166261496 /nfs/dbraw/zinc/26/14/96/1166261496.db2.gz ZIGXEJYZYJISCH-UWVGGRQHSA-N 1 0 200.351 2.410 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCSC ZINC000228915182 1166261952 /nfs/dbraw/zinc/26/19/52/1166261952.db2.gz ZIGXEJYZYJISCH-ZJUUUORDSA-N 1 0 200.351 2.410 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CC(=C)C ZINC001480916867 1166268450 /nfs/dbraw/zinc/26/84/50/1166268450.db2.gz BCXLINJHIQCXQZ-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO CC[C@@H](CCC(=O)OC)C[N@H+](CC)CCC#N ZINC001208785043 969236266 /nfs/dbraw/zinc/23/62/66/969236266.db2.gz AKJZOCSZCWHOMV-LBPRGKRZSA-N 1 0 240.347 2.201 20 30 BEEDRO O[C@@H]1CCC[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000227747740 1166308650 /nfs/dbraw/zinc/30/86/50/1166308650.db2.gz FKOQKJXZCDDFSL-HZPDHXFCSA-N 1 0 243.350 2.179 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001253603138 969298590 /nfs/dbraw/zinc/29/85/90/969298590.db2.gz QZCDHNDHYDZXEY-YPMHNXCESA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1ccc(C)o1 ZINC001253603924 969301307 /nfs/dbraw/zinc/30/13/07/969301307.db2.gz DVRKUFDGVFZVLB-WDEREUQCSA-N 1 0 209.289 2.176 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001253604133 969302291 /nfs/dbraw/zinc/30/22/91/969302291.db2.gz GMSTZVZPQAXDGF-QMMMGPOBSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1OC ZINC001253606653 969305171 /nfs/dbraw/zinc/30/51/71/969305171.db2.gz LYHRLWXGOXJKJI-LLVKDONJSA-N 1 0 235.327 2.067 20 30 BEEDRO CCOC(=O)CC[N@H+](CCC#N)C1CCCC1 ZINC001209035309 969332745 /nfs/dbraw/zinc/33/27/45/969332745.db2.gz PNWBHDYCSRTCHJ-UHFFFAOYSA-N 1 0 238.331 2.098 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C[NH2+]C(C)C)C1CC1 ZINC001283493674 1166353066 /nfs/dbraw/zinc/35/30/66/1166353066.db2.gz PNIAESWBFVWKDM-CYBMUJFWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001209161890 969363171 /nfs/dbraw/zinc/36/31/71/969363171.db2.gz GGSQVEJCQXKGRG-OLZOCXBDSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C/C ZINC001754479109 1166381386 /nfs/dbraw/zinc/38/13/86/1166381386.db2.gz UGEFBPMCAGYSIZ-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO Cc1ccc(C(=[NH2+])NC[C@@H](O)C(C)C)cc1C ZINC001253789502 969409352 /nfs/dbraw/zinc/40/93/52/969409352.db2.gz HFDXROMREQUWJH-CYBMUJFWSA-N 1 0 234.343 2.026 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000328009263 1166391196 /nfs/dbraw/zinc/39/11/96/1166391196.db2.gz PORFCSJMJNCYEM-GJZGRUSLSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CCCC[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001209267036 969419549 /nfs/dbraw/zinc/41/95/49/969419549.db2.gz ILPKWYOLVNQOQS-HZSPNIEDSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](COCC2CC2)C1 ZINC001209270258 969423782 /nfs/dbraw/zinc/42/37/82/969423782.db2.gz XOOIMCCUYVZCMM-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCCCC[N@@H+](C)CCCC1OCCO1 ZINC001209310417 969438725 /nfs/dbraw/zinc/43/87/25/969438725.db2.gz MXKWXPNNBJUDLV-UHFFFAOYSA-N 1 0 227.348 2.428 20 30 BEEDRO CCCCCCCc1cn(CCC[NH3+])nn1 ZINC001254150433 969526035 /nfs/dbraw/zinc/52/60/35/969526035.db2.gz WOKSNEWGJJOSBL-UHFFFAOYSA-N 1 0 224.352 2.140 20 30 BEEDRO C=CCC[C@H](C)[N@H+](CC)CCCNC(C)=O ZINC001731297572 1166430586 /nfs/dbraw/zinc/43/05/86/1166430586.db2.gz NVYSXJIFFGCHFA-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CCC2(CC2)CC1 ZINC000308937080 1166437464 /nfs/dbraw/zinc/43/74/64/1166437464.db2.gz LEAQTJVIAJTONH-NSHDSACASA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CC(=O)N(CC)CC ZINC001169443500 969632670 /nfs/dbraw/zinc/63/26/70/969632670.db2.gz HMRNIVPBDRXSKR-TZMCWYRMSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H](C)CC(=O)N(CC)CC ZINC001169478217 969649116 /nfs/dbraw/zinc/64/91/16/969649116.db2.gz OJTSSOVFZULCHW-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccccc1C ZINC000309046452 1166471922 /nfs/dbraw/zinc/47/19/22/1166471922.db2.gz OXXCDTRTZDEXPG-CYBMUJFWSA-N 1 0 205.301 2.286 20 30 BEEDRO CCC(C#N)(CC)N[C@H]1CCC[N@H+](C)CC1 ZINC001254511994 969682321 /nfs/dbraw/zinc/68/23/21/969682321.db2.gz IFFQWWVWPPVVRR-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C(C)CN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328574811 1166475322 /nfs/dbraw/zinc/47/53/22/1166475322.db2.gz XHBUEWMMMWPAMX-GFCCVEGCSA-N 1 0 216.328 2.200 20 30 BEEDRO C=CC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000393606396 1166478728 /nfs/dbraw/zinc/47/87/28/1166478728.db2.gz MXDLZXJCJKJQDG-JTQLQIEISA-N 1 0 224.329 2.270 20 30 BEEDRO C=CCC[N@H+](C)CCCNC(=O)CC(C)(F)F ZINC001752059039 1166494312 /nfs/dbraw/zinc/49/43/12/1166494312.db2.gz UYVUGPFQRKNILH-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc1 ZINC000724836397 1166502478 /nfs/dbraw/zinc/50/24/78/1166502478.db2.gz YSGXXKYFIBXRMV-HUUCEWRRSA-N 1 0 242.322 2.169 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCNC(=O)C(C)(F)F ZINC001480956860 1166504162 /nfs/dbraw/zinc/50/41/62/1166504162.db2.gz DHLXOULMDSDHRE-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO CCN(CC[NH+](CC)CC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254668163 969773933 /nfs/dbraw/zinc/77/39/33/969773933.db2.gz GMUKDNWKEFUKQC-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254673982 969781027 /nfs/dbraw/zinc/78/10/27/969781027.db2.gz RYYQLNPBGPEJMT-HZSPNIEDSA-N 1 0 235.375 2.093 20 30 BEEDRO CC[N@H+](CCC#N)CC1C[C@H](C)O[C@@H](C)C1 ZINC000724861634 1166536624 /nfs/dbraw/zinc/53/66/24/1166536624.db2.gz CTARBPVOVSBVOQ-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@]1(C)CC ZINC001169764952 969843818 /nfs/dbraw/zinc/84/38/18/969843818.db2.gz ATCFFLNMXPLBDQ-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C1(CCC)CCC1 ZINC001699377261 1166545899 /nfs/dbraw/zinc/54/58/99/1166545899.db2.gz DEESNYRPIJCKLK-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO N#CCC[N@H+](C1CCCC1)C1CCOCC1 ZINC001255041259 969861347 /nfs/dbraw/zinc/86/13/47/969861347.db2.gz LEAPAJKAADIZRX-UHFFFAOYSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001210795798 970038669 /nfs/dbraw/zinc/03/86/69/970038669.db2.gz ADNCRIPXIPGBRF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC#N)C1 ZINC001255354439 970123419 /nfs/dbraw/zinc/12/34/19/970123419.db2.gz SYMRDDXKFWNFQN-QJPTWQEYSA-N 1 0 238.331 2.000 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C[C@H]1C=CCC1 ZINC001699393581 1166650328 /nfs/dbraw/zinc/65/03/28/1166650328.db2.gz IZCZKZBMNQGSDH-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000695658806 1166660303 /nfs/dbraw/zinc/66/03/03/1166660303.db2.gz PQQZNYYJFMOMRX-SNVBAGLBSA-N 1 0 217.740 2.329 20 30 BEEDRO C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001170103275 970297007 /nfs/dbraw/zinc/29/70/07/970297007.db2.gz DYFHYGZPSYNTRZ-PSASIEDQSA-N 1 0 221.279 2.115 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC(C)(C)O ZINC000695787466 1166684338 /nfs/dbraw/zinc/68/43/38/1166684338.db2.gz NMIODXQDDHIBOC-SNVBAGLBSA-N 1 0 212.337 2.065 20 30 BEEDRO C=C(Br)C[NH2+]C1CC(OCC)C1 ZINC000162549212 1166689272 /nfs/dbraw/zinc/68/92/72/1166689272.db2.gz RLHHJXQPJDIBOV-UHFFFAOYSA-N 1 0 234.137 2.052 20 30 BEEDRO COC[C@H](C)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255566132 970358026 /nfs/dbraw/zinc/35/80/26/970358026.db2.gz BTVGKHIHBLBOKA-VIFPVBQESA-N 1 0 238.718 2.336 20 30 BEEDRO CSCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695874946 1166698798 /nfs/dbraw/zinc/69/87/98/1166698798.db2.gz YDXAKNKBDXXELJ-SECBINFHSA-N 1 0 200.351 2.267 20 30 BEEDRO CC[NH+]1CCC(NCC#CC(C)(C)C)CC1 ZINC000395717448 1166723706 /nfs/dbraw/zinc/72/37/06/1166723706.db2.gz JOOAEEKHAUKREX-UHFFFAOYSA-N 1 0 222.376 2.110 20 30 BEEDRO Cc1c[nH+]c(NCCCCC#N)cc1N ZINC001157641829 970503881 /nfs/dbraw/zinc/50/38/81/970503881.db2.gz JWXAHHJNOXSJBN-UHFFFAOYSA-N 1 0 204.277 2.078 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000686681971 1166747072 /nfs/dbraw/zinc/74/70/72/1166747072.db2.gz HFTFUHJYPYOGLF-UONOGXRCSA-N 1 0 223.360 2.130 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N[C@](C)(C#N)CC ZINC001255946834 970562459 /nfs/dbraw/zinc/56/24/59/970562459.db2.gz JNFSJBZAGCQGIZ-STQMWFEESA-N 1 0 225.380 2.389 20 30 BEEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)C/C=C(/C)C=C ZINC001732212851 1166802880 /nfs/dbraw/zinc/80/28/80/1166802880.db2.gz XQFJUQMRPILPRE-XXYUJHKVSA-N 1 0 248.370 2.017 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)C1CC1 ZINC001714068068 1166805428 /nfs/dbraw/zinc/80/54/28/1166805428.db2.gz WGVZBGNPHMPGQZ-YPMHNXCESA-N 1 0 238.375 2.093 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NC1=CC(=O)CCC1 ZINC001255944378 970575865 /nfs/dbraw/zinc/57/58/65/970575865.db2.gz VMBNVASHDLRLCJ-GFCCVEGCSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@@H](CC#N)N[C@H](C)CC[NH+](CC)CC ZINC001255946525 970583669 /nfs/dbraw/zinc/58/36/69/970583669.db2.gz AQLUZZFJYMRFNF-OLZOCXBDSA-N 1 0 225.380 2.389 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C[C@H](C)CC ZINC001716133289 1166841896 /nfs/dbraw/zinc/84/18/96/1166841896.db2.gz AAFHHAMTZGUXOF-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC ZINC001268102320 1166846978 /nfs/dbraw/zinc/84/69/78/1166846978.db2.gz SNDOHZDTWIWMRP-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC000238372559 1166857817 /nfs/dbraw/zinc/85/78/17/1166857817.db2.gz ZIGBWOLVJACHQL-LLVKDONJSA-N 1 0 205.301 2.402 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)C[C@@H](C)CC)C1CC1 ZINC001752461113 1166857958 /nfs/dbraw/zinc/85/79/58/1166857958.db2.gz XHNCMROEVHQKHZ-WCQYABFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(OC)OC ZINC000692220506 1166873464 /nfs/dbraw/zinc/87/34/64/1166873464.db2.gz QXCULYOBNKQXHX-NWDGAFQWSA-N 1 0 227.348 2.330 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)C1(CC)CC1 ZINC001753488977 1166881603 /nfs/dbraw/zinc/88/16/03/1166881603.db2.gz HBTZLNOLWOXIJH-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001170225860 970625855 /nfs/dbraw/zinc/62/58/55/970625855.db2.gz CSBIOIDCUSAYSW-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)CC(C)=C(C)C ZINC001268245494 1166886442 /nfs/dbraw/zinc/88/64/42/1166886442.db2.gz PDTIJPDKZGZCTG-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO CC(C)[C@](C)(C#N)NC1CC[NH+](C2CC2)CC1 ZINC001256067608 970632852 /nfs/dbraw/zinc/63/28/52/970632852.db2.gz UETBAKUWTASSNK-AWEZNQCLSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)c1ccc(C)cc1 ZINC001716366350 1166904153 /nfs/dbraw/zinc/90/41/53/1166904153.db2.gz ACYPCVADHVTNHC-PLNGDYQASA-N 1 0 244.338 2.057 20 30 BEEDRO C=CCCCNc1ccc2c([nH+]1)NCCO2 ZINC001170301111 970683966 /nfs/dbraw/zinc/68/39/66/970683966.db2.gz FXFIMGATXHFLNL-UHFFFAOYSA-N 1 0 219.288 2.264 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2cccc(Cl)c2C#N)C1 ZINC000304415544 1166917283 /nfs/dbraw/zinc/91/72/83/1166917283.db2.gz DEJQYEIKROMYDR-VIFPVBQESA-N 1 0 236.702 2.295 20 30 BEEDRO C[NH+]1CCC(N(CCC#N)C2CCCC2)CC1 ZINC001256208124 970713632 /nfs/dbraw/zinc/71/36/32/970713632.db2.gz XHNCPIKUZCEOTP-UHFFFAOYSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCC(CC=C)C(=O)N(C)CC[N@@H+](C)CC ZINC001753853854 1166925370 /nfs/dbraw/zinc/92/53/70/1166925370.db2.gz NXRHRPOGRCNSPL-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO CC[NH+](CC)C1CCC(N[C@H](C)C#N)CC1 ZINC001173107660 975024091 /nfs/dbraw/zinc/02/40/91/975024091.db2.gz IFLDVMWVAGGNSG-PNESKVBLSA-N 1 0 223.364 2.141 20 30 BEEDRO CC[NH+](CC)C1CCC(N2CC(C)(C#N)C2)CC1 ZINC001173108573 975026913 /nfs/dbraw/zinc/02/69/13/975026913.db2.gz NQJCNTQQFIFJSO-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173122721 975033165 /nfs/dbraw/zinc/03/31/65/975033165.db2.gz SCCPHAVOTDJMMH-SNVBAGLBSA-N 1 0 220.341 2.003 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@H](C)NC(C)=O ZINC001268719639 1166982233 /nfs/dbraw/zinc/98/22/33/1166982233.db2.gz MBQPCSFAWBLKQQ-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO CC#CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000168194105 1166998175 /nfs/dbraw/zinc/99/81/75/1166998175.db2.gz WNRNBUALHPGMJF-UHFFFAOYSA-N 1 0 232.283 2.140 20 30 BEEDRO CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NO)C1 ZINC001173270528 975138915 /nfs/dbraw/zinc/13/89/15/975138915.db2.gz BWDFLFSAXPBLCQ-UTUOFQBUSA-N 1 0 242.363 2.075 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)c1ccccc1 ZINC001482250792 1167023959 /nfs/dbraw/zinc/02/39/59/1167023959.db2.gz JEOYISUBVFCYMU-CYBMUJFWSA-N 1 0 246.354 2.313 20 30 BEEDRO CCSC[C@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001173295738 975175766 /nfs/dbraw/zinc/17/57/66/975175766.db2.gz IEMNCCJOBIFTIW-QMMMGPOBSA-N 1 0 241.385 2.246 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H](C)CN(C)C)CC1 ZINC001173311875 975220057 /nfs/dbraw/zinc/22/00/57/975220057.db2.gz QEBSDVJRZRZOMJ-IYXRBSQSSA-N 1 0 240.391 2.040 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2CC[C@H](O)C2)CC1 ZINC001173308919 975217585 /nfs/dbraw/zinc/21/75/85/975217585.db2.gz PJOZNPCQAWACGR-QPPOZKHWSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C1CCCCC1 ZINC001270347318 1167059544 /nfs/dbraw/zinc/05/95/44/1167059544.db2.gz IINXEFFIDUAQQE-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]CC1CCC(C#N)CC1 ZINC001332819405 975289711 /nfs/dbraw/zinc/28/97/11/975289711.db2.gz MKNBMLMEGHNDIJ-WXRRBKDZSA-N 1 0 238.375 2.313 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC001332881883 975306850 /nfs/dbraw/zinc/30/68/50/975306850.db2.gz UFCFRRTWLIHHFT-WDEREUQCSA-N 1 0 210.321 2.105 20 30 BEEDRO C=C1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC)CC1 ZINC001482327829 1167106962 /nfs/dbraw/zinc/10/69/62/1167106962.db2.gz PICVLXQBSPRBBT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCN(CC)C2)CCCCC1 ZINC001173357922 975321157 /nfs/dbraw/zinc/32/11/57/975321157.db2.gz LPBKAAURXJONBX-CYBMUJFWSA-N 1 0 220.360 2.006 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC001332946905 975336420 /nfs/dbraw/zinc/33/64/20/975336420.db2.gz PXMZPEDVKRIZGK-MXWKQRLJSA-N 1 0 215.362 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H]1CC ZINC001087502048 1167119527 /nfs/dbraw/zinc/11/95/27/1167119527.db2.gz MKLFZISJWDKQGC-QWHCGFSZSA-N 1 0 248.326 2.048 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001173439788 975377845 /nfs/dbraw/zinc/37/78/45/975377845.db2.gz FEDUPXOBDJYZPS-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173451701 975390402 /nfs/dbraw/zinc/39/04/02/975390402.db2.gz GENRJBWGPBTJFY-TZMCWYRMSA-N 1 0 239.359 2.500 20 30 BEEDRO CCC1([NH2+]C2CCC(C)(C#N)CC2)COC1 ZINC001173586729 975436609 /nfs/dbraw/zinc/43/66/09/975436609.db2.gz YPQGYTZLJJEKJU-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]1COCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592124 975443404 /nfs/dbraw/zinc/44/34/04/975443404.db2.gz GYLVIYQRCYYCLI-HIFPTAJRSA-N 1 0 222.332 2.180 20 30 BEEDRO COC[C@@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173593735 975454753 /nfs/dbraw/zinc/45/47/53/975454753.db2.gz MJKYEASPZGSTTP-IYXRBSQSSA-N 1 0 236.359 2.427 20 30 BEEDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+]CCCS)C1 ZINC001173635611 975494410 /nfs/dbraw/zinc/49/44/10/975494410.db2.gz IIOBJNHLQXAOHU-WDEREUQCSA-N 1 0 245.388 2.018 20 30 BEEDRO C=CCCC[N@@H+]1CCN[C@@H](CC(C)C)C1 ZINC000308783045 1167198439 /nfs/dbraw/zinc/19/84/39/1167198439.db2.gz DOKDGHJIMUXSQY-ZDUSSCGKSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(C)CCC(=O)NC1CC[NH+](CCC)CC1 ZINC001227607414 975575722 /nfs/dbraw/zinc/57/57/22/975575722.db2.gz QSTXKSCKOLMKNQ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H](COC)[NH2+]CCC(C)(C)SC ZINC001330620931 975586036 /nfs/dbraw/zinc/58/60/36/975586036.db2.gz HZFYYIGKQVGERN-JTQLQIEISA-N 1 0 217.378 2.309 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H](C)CCCCC ZINC000309166303 1167261910 /nfs/dbraw/zinc/26/19/10/1167261910.db2.gz JDCOEGMMVVJIJI-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)CC#N)CCO1 ZINC000309233474 1167269648 /nfs/dbraw/zinc/26/96/48/1167269648.db2.gz XBSMMAIZDNSYGB-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC1(O)CCCCCC1 ZINC000384193154 1167289243 /nfs/dbraw/zinc/28/92/43/1167289243.db2.gz IDAHCZGOLIIXAG-CYBMUJFWSA-N 1 0 223.360 2.463 20 30 BEEDRO C=C(C[NH2+]Cc1cnc[nH]1)c1ccccc1 ZINC000309319914 1167288590 /nfs/dbraw/zinc/28/85/90/1167288590.db2.gz DYZVCGIOKHAFBF-UHFFFAOYSA-N 1 0 213.284 2.213 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000309369691 1167294598 /nfs/dbraw/zinc/29/45/98/1167294598.db2.gz BVEWUPAELAQCMX-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2ccccc21 ZINC000309490077 1167320674 /nfs/dbraw/zinc/32/06/74/1167320674.db2.gz WUSTUEVPWVPTKQ-OCCSQVGLSA-N 1 0 217.312 2.465 20 30 BEEDRO CC(C)CCC[NH2+]CCNc1ccc(C#N)cn1 ZINC000897397374 1167407360 /nfs/dbraw/zinc/40/73/60/1167407360.db2.gz ZHUNSXWFEISHRK-UHFFFAOYSA-N 1 0 246.358 2.391 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CCO[C@H](C)C#N)c(C)o1 ZINC000310136220 1167420579 /nfs/dbraw/zinc/42/05/79/1167420579.db2.gz CFRHOOUNOVGXOM-GHMZBOCLSA-N 1 0 236.315 2.476 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)CC ZINC001230812680 977337881 /nfs/dbraw/zinc/33/78/81/977337881.db2.gz YJUCUZMJZGIKAT-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001335936576 977374036 /nfs/dbraw/zinc/37/40/36/977374036.db2.gz PYKGXDFIKXIWLD-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1C ZINC001335957437 977383921 /nfs/dbraw/zinc/38/39/21/977383921.db2.gz BHBAPSKEMLTVEH-LLVKDONJSA-N 1 0 217.312 2.457 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C(C)(C)CCC)CC1 ZINC001670846352 1167458778 /nfs/dbraw/zinc/45/87/78/1167458778.db2.gz VOEHQJJKVKINGF-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC001336291296 977619786 /nfs/dbraw/zinc/61/97/86/977619786.db2.gz QEKPNCIADRQJSO-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000381298493 1167543128 /nfs/dbraw/zinc/54/31/28/1167543128.db2.gz HJEBRVMAINROLQ-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H](CCC)CCC=C ZINC000381353244 1167546145 /nfs/dbraw/zinc/54/61/45/1167546145.db2.gz CIGYTQXTBNGZSG-KBPBESRZSA-N 1 0 223.360 2.485 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)F ZINC001483103771 1167549940 /nfs/dbraw/zinc/54/99/40/1167549940.db2.gz SLSLGLVHNKCFAR-WDEREUQCSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)CCC ZINC001700716297 1167567346 /nfs/dbraw/zinc/56/73/46/1167567346.db2.gz DROQIFYKJPDAFI-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)/C(C)=C\CC ZINC001752863371 1167575644 /nfs/dbraw/zinc/57/56/44/1167575644.db2.gz XMNGDTMCAXLOJF-SUIFULHWSA-N 1 0 238.375 2.403 20 30 BEEDRO CCCCCCCCNC(=O)C1CC[NH2+]CC1 ZINC000160969062 1167584272 /nfs/dbraw/zinc/58/42/72/1167584272.db2.gz NSSJCUMWKPYHCH-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CCCSCCNc1cc(C)[nH+]c(N)n1 ZINC000696106352 1167652996 /nfs/dbraw/zinc/65/29/96/1167652996.db2.gz UZSCYPYSPUZCMH-UHFFFAOYSA-N 1 0 238.360 2.088 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N=Nc2cnccn2)CC1 ZINC000060808275 1167672312 /nfs/dbraw/zinc/67/23/12/1167672312.db2.gz CGPSPUMABCZSOB-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232474915 978122136 /nfs/dbraw/zinc/12/21/36/978122136.db2.gz JRMPUJBGBBTZKP-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO N#Cc1ccnc(C[NH+]2CCCCCC2)c1 ZINC001232476210 978127444 /nfs/dbraw/zinc/12/74/44/978127444.db2.gz YJAGCGQHGGUUGU-UHFFFAOYSA-N 1 0 215.300 2.329 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@H](O)CCC(C)C ZINC001120596780 1167686400 /nfs/dbraw/zinc/68/64/00/1167686400.db2.gz YOGDVESCUYXISP-QWHCGFSZSA-N 1 0 211.349 2.175 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000699435696 1167770399 /nfs/dbraw/zinc/77/03/99/1167770399.db2.gz CRULNHSECDLISJ-KGLIPLIRSA-N 1 0 230.311 2.073 20 30 BEEDRO C=C(C[NH2+][C@H](C)[C@@H](C)O)c1ccccc1 ZINC000386948519 1167788368 /nfs/dbraw/zinc/78/83/68/1167788368.db2.gz WCQLHSDXUFQHLI-VXGBXAGGSA-N 1 0 205.301 2.059 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC)C1 ZINC001180851631 978954166 /nfs/dbraw/zinc/95/41/66/978954166.db2.gz AHTJOLZGUKEJDG-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)C)C1 ZINC001181006957 978981943 /nfs/dbraw/zinc/98/19/43/978981943.db2.gz XWHXJDDWSYXDNC-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001340858453 979130600 /nfs/dbraw/zinc/13/06/00/979130600.db2.gz QLPCTYJORVWHDI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CNC(=O)CC[N@@H+](C)CCCCC ZINC001181866872 979342666 /nfs/dbraw/zinc/34/26/66/979342666.db2.gz IDZZQCKQBKMEPR-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCCCCN(CCOC)[C@@H]1CC[NH2+]C1 ZINC001236333265 979535555 /nfs/dbraw/zinc/53/55/55/979535555.db2.gz JVINYZOHOGDYTP-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001341849202 979576293 /nfs/dbraw/zinc/57/62/93/979576293.db2.gz UNCJOFLTUYJGIP-WDEREUQCSA-N 1 0 226.364 2.078 20 30 BEEDRO CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(C#N)c1 ZINC000225600856 1168320623 /nfs/dbraw/zinc/32/06/23/1168320623.db2.gz SODKACVOPAJBPL-LBPRGKRZSA-N 1 0 249.289 2.153 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC=C(C)C ZINC001733967755 1168349099 /nfs/dbraw/zinc/34/90/99/1168349099.db2.gz XTYSEDANBOYFEG-CHWSQXEVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001342812501 979901848 /nfs/dbraw/zinc/90/18/48/979901848.db2.gz VJPIAGRIVBLTOD-WCQYABFASA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000711490998 1168408653 /nfs/dbraw/zinc/40/86/53/1168408653.db2.gz JZMSXXNRNHWYIQ-SNVBAGLBSA-N 1 0 237.324 2.036 20 30 BEEDRO ON=Cc1ccccc1C1=CCC[NH2+]CC1 ZINC001238951786 980388313 /nfs/dbraw/zinc/38/83/13/980388313.db2.gz YICBIPLRXJKVAJ-UHFFFAOYSA-N 1 0 216.284 2.262 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001239331299 980538894 /nfs/dbraw/zinc/53/88/94/980538894.db2.gz JSVMSNFLWXSUHH-RYUDHWBXSA-N 1 0 240.347 2.140 20 30 BEEDRO CCCCCCCOC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC001239333873 980540907 /nfs/dbraw/zinc/54/09/07/980540907.db2.gz HANNESNSSBTOOW-GFCCVEGCSA-N 1 0 242.363 2.387 20 30 BEEDRO CCCCCCCCOC(=O)N1CC[NH2+]C1 ZINC001239339231 980545278 /nfs/dbraw/zinc/54/52/78/980545278.db2.gz RCBUKMIMCBPNAG-UHFFFAOYSA-N 1 0 228.336 2.346 20 30 BEEDRO CCCCCCCCNC(=S)NCCC[NH3+] ZINC001239368822 980553662 /nfs/dbraw/zinc/55/36/62/980553662.db2.gz GSXAFYVGLPKETB-UHFFFAOYSA-N 1 0 245.436 2.160 20 30 BEEDRO N#Cc1ccc(-c2ccc3c[nH+]cn3c2)c(N)c1 ZINC001244083606 1168546369 /nfs/dbraw/zinc/54/63/69/1168546369.db2.gz CKTXXULJXOQSFB-UHFFFAOYSA-N 1 0 234.262 2.455 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C1(C)CCCC1 ZINC001132010527 1168555905 /nfs/dbraw/zinc/55/59/05/1168555905.db2.gz WNYMMEJXTMHGKY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(CC)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC001346699808 980887657 /nfs/dbraw/zinc/88/76/57/980887657.db2.gz MVWZYRHPDSJASG-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC=C ZINC001133885274 1168581314 /nfs/dbraw/zinc/58/13/14/1168581314.db2.gz YNASHDMGDYBGMQ-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC(=C)C ZINC001134481090 1168590621 /nfs/dbraw/zinc/59/06/21/1168590621.db2.gz RYKQOCOYGYXGIX-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(CC)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC001347115882 980979768 /nfs/dbraw/zinc/97/97/68/980979768.db2.gz NMFILZVCAIFGSD-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OCC(F)F)cc1 ZINC001136939751 1168636380 /nfs/dbraw/zinc/63/63/80/1168636380.db2.gz SRUZMCWVCKSDAQ-UHFFFAOYSA-N 1 0 239.265 2.396 20 30 BEEDRO C=C(CC)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC001348473751 981371694 /nfs/dbraw/zinc/37/16/94/981371694.db2.gz MSYRVBQSIFYXNU-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO N#CCC1CCC([NH2+]CCc2ccncn2)CC1 ZINC001173333134 1168688064 /nfs/dbraw/zinc/68/80/64/1168688064.db2.gz YZTVVFIBRKWDJW-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO C#CC[NH+](CC#C)C1CCC(CC#N)CC1 ZINC001173336612 1168688218 /nfs/dbraw/zinc/68/82/18/1168688218.db2.gz GJWKSGXBQWZLKA-UHFFFAOYSA-N 1 0 214.312 2.027 20 30 BEEDRO CC1(C)[C@H]([NH2+]C2CCC(CC#N)CC2)C[C@@H]1O ZINC001173333445 1168689224 /nfs/dbraw/zinc/68/92/24/1168689224.db2.gz IMVIVEXCQRBAOZ-TUUUFIMRSA-N 1 0 236.359 2.208 20 30 BEEDRO Cc1cc(C2=CCC[NH2+]C2)ccc1CC#N ZINC001240664298 981573776 /nfs/dbraw/zinc/57/37/76/981573776.db2.gz HGNWAMFGZNXEIQ-UHFFFAOYSA-N 1 0 212.296 2.438 20 30 BEEDRO N#Cc1nc(Cl)ccc1Nc1[nH]cc[nH+]1 ZINC001176080280 1168702674 /nfs/dbraw/zinc/70/26/74/1168702674.db2.gz SAJPWKNXHMFYSS-UHFFFAOYSA-N 1 0 219.635 2.073 20 30 BEEDRO CC[N@H+](CCC#N)[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000339009159 1168713141 /nfs/dbraw/zinc/71/31/41/1168713141.db2.gz AKJQTTKTDNDURK-ZSBIGDGJSA-N 1 0 210.321 2.178 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000862445362 1168885088 /nfs/dbraw/zinc/88/50/88/1168885088.db2.gz RMINZPKXRYLHEN-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000862445462 1168885223 /nfs/dbraw/zinc/88/52/23/1168885223.db2.gz UNRBWVWYIZDZNI-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000379927007 1168926445 /nfs/dbraw/zinc/92/64/45/1168926445.db2.gz ULAUGTICVUUMPQ-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000886365424 1168981173 /nfs/dbraw/zinc/98/11/73/1168981173.db2.gz HXHBUOQFDMTGJX-QWHCGFSZSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCc2csc(C)n2)C1 ZINC000886363018 1168981333 /nfs/dbraw/zinc/98/13/33/1168981333.db2.gz XLIYRYQNPATCLB-LBPRGKRZSA-N 1 0 234.368 2.339 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000886362700 1168981854 /nfs/dbraw/zinc/98/18/54/1168981854.db2.gz JTRXWJGWSAZJKM-RYUDHWBXSA-N 1 0 218.300 2.389 20 30 BEEDRO C#CCCCC(=O)N(C)C[C@H](C)[NH2+]CCCC ZINC001676341654 1168994221 /nfs/dbraw/zinc/99/42/21/1168994221.db2.gz IRFOIHPTQORUDK-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(C)C)C[C@H]1C ZINC001274587594 1169034001 /nfs/dbraw/zinc/03/40/01/1169034001.db2.gz CCJJZKLEUCVCQA-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)CCC ZINC001275782211 1169056015 /nfs/dbraw/zinc/05/60/15/1169056015.db2.gz OXXIJXBWJAUZOP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)CCC ZINC001275782214 1169056382 /nfs/dbraw/zinc/05/63/82/1169056382.db2.gz OXXIJXBWJAUZOP-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](COC)C(C)C ZINC000686677203 1169109546 /nfs/dbraw/zinc/10/95/46/1169109546.db2.gz WDCYMUFRRSDTGZ-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000686677767 1169109159 /nfs/dbraw/zinc/10/91/59/1169109159.db2.gz KLLIIYOKMFTIKN-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO C#CCCCCC[NH+]1CCC(C(C)=O)CC1 ZINC000686699316 1169111392 /nfs/dbraw/zinc/11/13/92/1169111392.db2.gz DGBRKISYHYTALG-UHFFFAOYSA-N 1 0 221.344 2.481 20 30 BEEDRO C=C[C@@H](C)NC(=O)CCCCC1CC[NH2+]CC1 ZINC001357274753 983685741 /nfs/dbraw/zinc/68/57/41/983685741.db2.gz WYCURYKGHFSTSC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)CCC)C1 ZINC001488818206 983695901 /nfs/dbraw/zinc/69/59/01/983695901.db2.gz LUPOVMIANYTIJS-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)CC(C)(C)C)C1 ZINC001489377348 983712447 /nfs/dbraw/zinc/71/24/47/983712447.db2.gz LCUMOGHSXFIPOA-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](CCCC)C1 ZINC001490558353 983732414 /nfs/dbraw/zinc/73/24/14/983732414.db2.gz GBNUMZBXHXVEFX-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1cc(N)nc(SCc2ccc(C#N)o2)n1 ZINC001458854888 1169132191 /nfs/dbraw/zinc/13/21/91/1169132191.db2.gz AALAMDGFBGTBSV-UHFFFAOYSA-N 1 0 246.295 2.124 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC001252579986 983833858 /nfs/dbraw/zinc/83/38/58/983833858.db2.gz ZVXIFJFQVBYSOC-CYBMUJFWSA-N 1 0 235.302 2.341 20 30 BEEDRO C#CCCC[NH2+][C@H](CO)c1ccccc1C ZINC000381391768 1169214151 /nfs/dbraw/zinc/21/41/51/1169214151.db2.gz OHZLGJILQWROMN-CQSZACIVSA-N 1 0 217.312 2.031 20 30 BEEDRO CCOc1ccnc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC001254648869 1169238221 /nfs/dbraw/zinc/23/82/21/1169238221.db2.gz LBISWVJUIZDNSC-RYUDHWBXSA-N 1 0 245.326 2.262 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254955927 1169240450 /nfs/dbraw/zinc/24/04/50/1169240450.db2.gz FEWJVRNDTYWJEN-JHJVBQTASA-N 1 0 246.354 2.370 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCSC1)CC2 ZINC001255282548 1169245422 /nfs/dbraw/zinc/24/54/22/1169245422.db2.gz QQXHYZBCSJKDBW-AWEZNQCLSA-N 1 0 244.363 2.422 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000383681414 1169248047 /nfs/dbraw/zinc/24/80/47/1169248047.db2.gz QVNWFVQVUPBBRV-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO CCOCC[C@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001172415896 974686405 /nfs/dbraw/zinc/68/64/05/974686405.db2.gz APDGAHPFUFLDSR-JTQLQIEISA-N 1 0 222.288 2.056 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001491493733 1169278810 /nfs/dbraw/zinc/27/88/10/1169278810.db2.gz ATUDQFWMWARTID-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)COCC[C@H](C)[N@H+](C)CCC#N ZINC001172470119 974766709 /nfs/dbraw/zinc/76/67/09/974766709.db2.gz WMNYCDMFARZJDB-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@@H](CCCC#N)n1cccc1CC[NH3+] ZINC001172484379 974787800 /nfs/dbraw/zinc/78/78/00/974787800.db2.gz DOKZYZUQDJKSLF-NSHDSACASA-N 1 0 205.305 2.244 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1cnccn1 ZINC001172486689 974790904 /nfs/dbraw/zinc/79/09/04/974790904.db2.gz CSWXMGZTTVFWKP-WDEREUQCSA-N 1 0 218.304 2.210 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCOc1ccccn1 ZINC001172486930 974791155 /nfs/dbraw/zinc/79/11/55/974791155.db2.gz FGXVAGOFUMNDMA-GFCCVEGCSA-N 1 0 233.315 2.132 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]C1CC(C#N)C1 ZINC001172445829 974806710 /nfs/dbraw/zinc/80/67/10/974806710.db2.gz UOBJRBIPLFLTAK-VOMCLLRMSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(C)OCC[C@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172455195 974819688 /nfs/dbraw/zinc/81/96/88/974819688.db2.gz RFTNROXMTUUIGD-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)CN1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172488716 974833744 /nfs/dbraw/zinc/83/37/44/974833744.db2.gz ODXPWJFFHWLERS-KBPBESRZSA-N 1 0 237.391 2.389 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)c(N)n1 ZINC001143203668 1169405338 /nfs/dbraw/zinc/40/53/38/1169405338.db2.gz LMUAZOWMPNEVPX-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO CN(C)c1cccc(NCCCCC#N)[nH+]1 ZINC001157638046 1169430963 /nfs/dbraw/zinc/43/09/63/1169430963.db2.gz PGCHQAUTEMUBHF-UHFFFAOYSA-N 1 0 218.304 2.253 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H](C)CC(C)C ZINC001147394156 973578366 /nfs/dbraw/zinc/57/83/66/973578366.db2.gz QHOKJBUIHFCMKV-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402183274 970770142 /nfs/dbraw/zinc/77/01/42/970770142.db2.gz FAAPEYMUERFZKH-LSDHHAIUSA-N 1 0 244.338 2.466 20 30 BEEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CCCC1 ZINC000402236946 970778395 /nfs/dbraw/zinc/77/83/95/970778395.db2.gz NBOLDEJUVDLXRT-HNNXBMFYSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH+]1CCC(S)CC1 ZINC001256422800 970828452 /nfs/dbraw/zinc/82/84/52/970828452.db2.gz WOXHJBMWNQSLNQ-NSHDSACASA-N 1 0 236.384 2.407 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170450818 970844444 /nfs/dbraw/zinc/84/44/44/970844444.db2.gz VOMMEUUDIYMJMO-ZDUSSCGKSA-N 1 0 245.322 2.301 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CCC[C@H]2C#N)CC1 ZINC001256568850 970868403 /nfs/dbraw/zinc/86/84/03/970868403.db2.gz HVBZOGYZUNIBES-ZDUSSCGKSA-N 1 0 235.375 2.237 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256617157 970883058 /nfs/dbraw/zinc/88/30/58/970883058.db2.gz IJUIDNXEMQDRHC-WTUNAVPPSA-N 1 0 220.360 2.003 20 30 BEEDRO COc1cccc2c1CC[C@H]([NH2+]CCS)C2 ZINC001256632690 970898455 /nfs/dbraw/zinc/89/84/55/970898455.db2.gz KMQBTLPRMFEOFZ-NSHDSACASA-N 1 0 237.368 2.072 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCC=CCCC1 ZINC001130159583 970941140 /nfs/dbraw/zinc/94/11/40/970941140.db2.gz FOBFMMZLQFWRTR-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC001256727625 970949293 /nfs/dbraw/zinc/94/92/93/970949293.db2.gz ZLUCNLVVKLSFFA-GXTWGEPZSA-N 1 0 216.328 2.404 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)C(C)(C)C ZINC001130282089 970958312 /nfs/dbraw/zinc/95/83/12/970958312.db2.gz YJNATRVVKUXIDU-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO Cc1c(C#N)cccc1Nc1cc[nH+]cc1 ZINC001216173966 970964328 /nfs/dbraw/zinc/96/43/28/970964328.db2.gz SIUMUQHMXFLCMZ-UHFFFAOYSA-N 1 0 209.252 2.427 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH+]1CCC(C#N)CC1 ZINC001256736775 970969233 /nfs/dbraw/zinc/96/92/33/970969233.db2.gz SLBKAOVMIFWQQL-LBPRGKRZSA-N 1 0 229.327 2.248 20 30 BEEDRO N#CCC1CN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256911190 971022359 /nfs/dbraw/zinc/02/23/59/971022359.db2.gz KTKUEPRCFCLWGM-HNNXBMFYSA-N 1 0 247.386 2.239 20 30 BEEDRO CC[C@@H](C#N)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906899 971022097 /nfs/dbraw/zinc/02/20/97/971022097.db2.gz FCBIUTAYDLMWIW-STQMWFEESA-N 1 0 235.375 2.285 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCC(C#N)CC1 ZINC001256957694 971029972 /nfs/dbraw/zinc/02/99/72/971029972.db2.gz AHJLOJHPHIUEKF-WXRRBKDZSA-N 1 0 204.317 2.460 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cscn2)CC1 ZINC001256954239 971030901 /nfs/dbraw/zinc/03/09/01/971030901.db2.gz DYQYBOMNFFCHMU-UHFFFAOYSA-N 1 0 221.329 2.315 20 30 BEEDRO CCOC(=O)CCC[NH2+]C1CCC(C#N)CC1 ZINC001256956299 971032821 /nfs/dbraw/zinc/03/28/21/971032821.db2.gz PGRIYLKUIFMBDJ-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO C[C@H]1CC[N@@H+](C2CCC(C#N)CC2)CC[C@H]1O ZINC001256965206 971036561 /nfs/dbraw/zinc/03/65/61/971036561.db2.gz NBIFTICKNDBNCY-GFJIZPEISA-N 1 0 236.359 2.162 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC001256963766 971038623 /nfs/dbraw/zinc/03/86/23/971038623.db2.gz LTLMMAKJGJFVGP-DKNRTOFZSA-N 1 0 234.343 2.037 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256964969 971039596 /nfs/dbraw/zinc/03/95/96/971039596.db2.gz IYXZQLWTJXBYST-BPCQOVAHSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)CC[C@@H]1O ZINC001256965207 971040365 /nfs/dbraw/zinc/04/03/65/971040365.db2.gz NBIFTICKNDBNCY-RYSNWHEDSA-N 1 0 236.359 2.162 20 30 BEEDRO CCN(CC)[C@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256969894 971041048 /nfs/dbraw/zinc/04/10/48/971041048.db2.gz QVAHOBYHSQEHLN-NRXISQOPSA-N 1 0 249.402 2.485 20 30 BEEDRO CCN1CCC([N@H+](C)C2CCC(C#N)CC2)CC1 ZINC001256968950 971044581 /nfs/dbraw/zinc/04/45/81/971044581.db2.gz UCZWDJYXQIPSEI-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@]1(O)CCC[N@@H+](C2CCC(C#N)CC2)CC1 ZINC001256965386 971041698 /nfs/dbraw/zinc/04/16/98/971041698.db2.gz SIUNFVVTCJDHSM-JXQTWKCFSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC001256973122 971049954 /nfs/dbraw/zinc/04/99/54/971049954.db2.gz LTLMMAKJGJFVGP-QPPOZKHWSA-N 1 0 234.343 2.037 20 30 BEEDRO N#CC1CCC(N2CC([NH+]3CCCCC3)C2)CC1 ZINC001256970356 971050301 /nfs/dbraw/zinc/05/03/01/971050301.db2.gz ZLAXIWHPTHZPMN-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(=O)[C@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256969361 971046146 /nfs/dbraw/zinc/04/61/46/971046146.db2.gz FVMULXNTRAAUSQ-MOKVOYLWSA-N 1 0 234.343 2.370 20 30 BEEDRO CCN1CC[N@@H+](C2CCC(C#N)CC2)[C@H](C)C1 ZINC001256971373 971047823 /nfs/dbraw/zinc/04/78/23/971047823.db2.gz PFQSEXPSCHBMCQ-IYXRBSQSSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[N@H+](CC(C)(C)O)C1CCC(C#N)CC1 ZINC001256973588 971048609 /nfs/dbraw/zinc/04/86/09/971048609.db2.gz UCRNGQATGQMSMC-UHFFFAOYSA-N 1 0 224.348 2.162 20 30 BEEDRO C[N@H+](Cc1ccno1)C1CCC(C#N)CC1 ZINC001256971486 971049274 /nfs/dbraw/zinc/04/92/74/971049274.db2.gz ITEBXRGGKMTFFN-UHFFFAOYSA-N 1 0 219.288 2.189 20 30 BEEDRO N#CC1CCC([N@@H+]2C[C@@H]3CCCC(=O)[C@H]3C2)CC1 ZINC001256970808 971051736 /nfs/dbraw/zinc/05/17/36/971051736.db2.gz FQDPXJWXAFBCSR-YIOUJQMASA-N 1 0 246.354 2.370 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@@]23CCOC3)CC1 ZINC001256972558 971051866 /nfs/dbraw/zinc/05/18/66/971051866.db2.gz CBHUZBBHTDFDQY-RUXDESIVSA-N 1 0 234.343 2.324 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)[C@@H](C)CO1 ZINC001256971372 971051893 /nfs/dbraw/zinc/05/18/93/971051893.db2.gz GRLWBWBSKVFROV-ZFDZMSFRSA-N 1 0 222.332 2.178 20 30 BEEDRO CN1CCC[C@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@H]21 ZINC001256971652 971052954 /nfs/dbraw/zinc/05/29/54/971052954.db2.gz KZYPBOYSTUOYBV-OOJKYFRXSA-N 1 0 247.386 2.095 20 30 BEEDRO CCN1CC[N@H+](C2CCC(C#N)CC2)C(C)(C)C1 ZINC001256971129 971053410 /nfs/dbraw/zinc/05/34/10/971053410.db2.gz JSKQJRFOTCZEFT-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO CNc1cc(Nc2ccc(O)cc2C#N)cc[nH+]1 ZINC001216337437 971054194 /nfs/dbraw/zinc/05/41/94/971054194.db2.gz ARMBXUXYXUDNJA-UHFFFAOYSA-N 1 0 240.266 2.444 20 30 BEEDRO COC(=O)CC1CCC([NH2+][C@@H](C)CC#N)CC1 ZINC001256979296 971057181 /nfs/dbraw/zinc/05/71/81/971057181.db2.gz NESPHPHSWQKNPT-UNXYVOJBSA-N 1 0 238.331 2.000 20 30 BEEDRO N#Cc1ccc(C2CCC([NH2+]CCO)CC2)cc1 ZINC001257007522 971061182 /nfs/dbraw/zinc/06/11/82/971061182.db2.gz DPKPTMKRYFFVGL-UHFFFAOYSA-N 1 0 244.338 2.166 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257030231 971068140 /nfs/dbraw/zinc/06/81/40/971068140.db2.gz RKIKTPSAGRJTIX-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257049823 971079404 /nfs/dbraw/zinc/07/94/04/971079404.db2.gz ZCSBCWJZCUDTLZ-STQMWFEESA-N 1 0 237.343 2.111 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257049821 971078913 /nfs/dbraw/zinc/07/89/13/971078913.db2.gz ZCSBCWJZCUDTLZ-OLZOCXBDSA-N 1 0 237.343 2.111 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CC(C(F)F)C2)cc1 ZINC001208928744 1169512026 /nfs/dbraw/zinc/51/20/26/1169512026.db2.gz KRIIHQGRZWJBQA-UHFFFAOYSA-N 1 0 236.265 2.298 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)[C@H](F)CC)C(C)(C)C ZINC001278989714 971091283 /nfs/dbraw/zinc/09/12/83/971091283.db2.gz OKMMQMJNILCSES-GHMZBOCLSA-N 1 0 244.354 2.041 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1F ZINC000404077698 971119906 /nfs/dbraw/zinc/11/99/06/971119906.db2.gz OAZIIZQDQMVIPI-ZDUSSCGKSA-N 1 0 246.285 2.480 20 30 BEEDRO CC(C)C[C@H](C#N)NC1CC[NH+](C(C)C)CC1 ZINC001257210760 971130446 /nfs/dbraw/zinc/13/04/46/971130446.db2.gz YHBWLPLRZBYGNP-CQSZACIVSA-N 1 0 237.391 2.387 20 30 BEEDRO CC(C)[NH+]1CCC([NH+]2CCC(S)CC2)CC1 ZINC001257217750 971135253 /nfs/dbraw/zinc/13/52/53/971135253.db2.gz OIOWCNJRYQEOBT-UHFFFAOYSA-N 1 0 242.432 2.253 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CC1(C)CCCCC1 ZINC001131139958 971140890 /nfs/dbraw/zinc/14/08/90/971140890.db2.gz CUYAOUCJGMDVER-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H](CC)CCC ZINC001257246372 971142404 /nfs/dbraw/zinc/14/24/04/971142404.db2.gz ILXRXXHNSALVCD-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C)ns1 ZINC000404419340 971162523 /nfs/dbraw/zinc/16/25/23/971162523.db2.gz QSKOTIAJQBHVPQ-NSHDSACASA-N 1 0 208.330 2.343 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000307705976 971175191 /nfs/dbraw/zinc/17/51/91/971175191.db2.gz WTUSPRHOHIEHIW-OFQRWUPVSA-N 1 0 242.366 2.261 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000307705974 971175320 /nfs/dbraw/zinc/17/53/20/971175320.db2.gz WTUSPRHOHIEHIW-DZKIICNBSA-N 1 0 242.366 2.261 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CC1(C)CC1 ZINC001131475684 971182151 /nfs/dbraw/zinc/18/21/51/971182151.db2.gz VCGGHEHSWKEJAG-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000404924862 971185330 /nfs/dbraw/zinc/18/53/30/971185330.db2.gz ZNVUIQRQJDXOTJ-JTQLQIEISA-N 1 0 244.285 2.036 20 30 BEEDRO CCCC(CCC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257333188 971239598 /nfs/dbraw/zinc/23/95/98/971239598.db2.gz FJKJXWNOEPPKLN-JQWIXIFHSA-N 1 0 244.379 2.465 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC)CC[C@@H]1C ZINC001131747609 971261510 /nfs/dbraw/zinc/26/15/10/971261510.db2.gz MMBLYFRIQPFHLC-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCCC1(CC[NH2+]C2CCCC2)N=N1 ZINC001257349617 971262307 /nfs/dbraw/zinc/26/23/07/971262307.db2.gz VEBGYKGPGJLPPI-UHFFFAOYSA-N 1 0 205.305 2.484 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CCC)C1 ZINC001131894628 971288660 /nfs/dbraw/zinc/28/86/60/971288660.db2.gz AJKDCRQQEFXYPO-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCC[NH2+][C@H](C)CCC(=O)OCCCC ZINC001257385382 971295903 /nfs/dbraw/zinc/29/59/03/971295903.db2.gz HCUNJKGSAUSLOP-GFCCVEGCSA-N 1 0 225.332 2.111 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)/C=C\C2CC2)CC[C@H]1C ZINC001131939214 971296362 /nfs/dbraw/zinc/29/63/62/971296362.db2.gz OKECHAPQIMGUAO-XZPUFVBZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H](C)CCC(=O)OCCCC ZINC001257384245 971296550 /nfs/dbraw/zinc/29/65/50/971296550.db2.gz WUQHEQZBEVTPLV-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)CCC(=O)OCCCC ZINC001257387712 971297448 /nfs/dbraw/zinc/29/74/48/971297448.db2.gz IHPAAMUJFWNTTC-GFCCVEGCSA-N 1 0 239.359 2.500 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC)C1 ZINC001132257212 971325979 /nfs/dbraw/zinc/32/59/79/971325979.db2.gz UFPJLTHRDGXTFP-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H]1CC=CCC1 ZINC001132427309 971347539 /nfs/dbraw/zinc/34/75/39/971347539.db2.gz DQAWGOMJGVYOPM-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCOCc1nn([C@@H](C)CC)c2c1C[NH2+]C2 ZINC001257439878 971355613 /nfs/dbraw/zinc/35/56/13/971355613.db2.gz MDYUKJRKIWJUSA-JTQLQIEISA-N 1 0 235.331 2.160 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H]1CC[C@H](C)C1 ZINC001132539003 971371507 /nfs/dbraw/zinc/37/15/07/971371507.db2.gz SVPBILLDSHJVSU-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCN1CCC[C@H]([NH2+]C2CCCCC2)C1=O ZINC001257452845 971373266 /nfs/dbraw/zinc/37/32/66/971373266.db2.gz RPTJKBNQTVCNIB-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CN(C(C)=O)CC[C@@H]1C ZINC001132572312 971381816 /nfs/dbraw/zinc/38/18/16/971381816.db2.gz VBNGPQZJYLABTH-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC)CC[C@H]1C ZINC001132571164 971382114 /nfs/dbraw/zinc/38/21/14/971382114.db2.gz ICKRKVHBVALJLK-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CN(C(C)=O)CC[C@@H]1C ZINC001132572311 971380911 /nfs/dbraw/zinc/38/09/11/971380911.db2.gz VBNGPQZJYLABTH-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)[C@H](C)C=C ZINC001132577325 971384425 /nfs/dbraw/zinc/38/44/25/971384425.db2.gz SSIWQPPCXHHCOK-OLZOCXBDSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C1(CC)CCC1 ZINC001132576690 971384982 /nfs/dbraw/zinc/38/49/82/971384982.db2.gz NMEHWKWWXHLZEW-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ncccc2C)C1 ZINC001330107856 974109261 /nfs/dbraw/zinc/10/92/61/974109261.db2.gz IXZIIUICJFZIGX-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC=C(C)C ZINC001132660214 971395133 /nfs/dbraw/zinc/39/51/33/971395133.db2.gz KPBDSVQVZXBSIG-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001132653549 971398041 /nfs/dbraw/zinc/39/80/41/971398041.db2.gz OIJJYHDXLJLYEK-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CCCC ZINC001132663289 971399097 /nfs/dbraw/zinc/39/90/97/971399097.db2.gz UBXBZKZOKSBJMB-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CCCC ZINC001132663288 971399363 /nfs/dbraw/zinc/39/93/63/971399363.db2.gz UBXBZKZOKSBJMB-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CCCC ZINC001132663522 971399379 /nfs/dbraw/zinc/39/93/79/971399379.db2.gz XPXJRSASGLPBJI-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO CC(C)c1ccc(C#N)c(-n2ccc(C[NH3+])c2)n1 ZINC001158764911 971444388 /nfs/dbraw/zinc/44/43/88/971444388.db2.gz WRDPRVCQPJJQBF-UHFFFAOYSA-N 1 0 240.310 2.326 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001133063246 971450332 /nfs/dbraw/zinc/45/03/32/971450332.db2.gz XHFDRINMTWELKZ-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(CO[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217861608 971455629 /nfs/dbraw/zinc/45/56/29/971455629.db2.gz XXVKVRPPPRBHDR-AWEZNQCLSA-N 1 0 217.312 2.468 20 30 BEEDRO C=CC[C@@H](CCC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217867839 971460398 /nfs/dbraw/zinc/46/03/98/971460398.db2.gz WCDNNHZIWWFCMF-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CC1CCCC1 ZINC001133143137 971463532 /nfs/dbraw/zinc/46/35/32/971463532.db2.gz QRGDVUGZNOOIGM-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C1(CCCC)CC1 ZINC001133362598 971504253 /nfs/dbraw/zinc/50/42/53/971504253.db2.gz MOGRZJKFAVXKTB-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]C/C=C/Cl ZINC001133383350 971508079 /nfs/dbraw/zinc/50/80/79/971508079.db2.gz OBZFMOYVKHXTPU-SYTKJHMZSA-N 1 0 244.766 2.047 20 30 BEEDRO CC(C)OC1CCC([NH2+]CCS)CC1 ZINC001257871447 971512136 /nfs/dbraw/zinc/51/21/36/971512136.db2.gz WWFNRHSRVALNDA-UHFFFAOYSA-N 1 0 217.378 2.242 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC ZINC001133418057 971516514 /nfs/dbraw/zinc/51/65/14/971516514.db2.gz HGNFXRLFEDSOPI-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+](C)CC(=O)OC)C[C@H](C1)C2 ZINC001257894955 971525431 /nfs/dbraw/zinc/52/54/31/971525431.db2.gz FDSOIQPCPNYLTR-FUNVUKJBSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H](O)C3)C[C@H](C1)C2 ZINC001257888505 971521669 /nfs/dbraw/zinc/52/16/69/971521669.db2.gz QJPKHRQRXVZPNE-GRKNYDARSA-N 1 0 221.344 2.234 20 30 BEEDRO C=CCCCCCO[C@@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217924105 971529467 /nfs/dbraw/zinc/52/94/67/971529467.db2.gz DPMMIJFPAHYCTE-JHJVBQTASA-N 1 0 209.333 2.500 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133449024 971532144 /nfs/dbraw/zinc/53/21/44/971532144.db2.gz YHBAHQGZMXKWGZ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(F)F ZINC001133453519 971541912 /nfs/dbraw/zinc/54/19/12/971541912.db2.gz ZRCDBWZLCBADGJ-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO N#C[C@@H]1CCCCN1C1CCC2(COC2)CC1 ZINC001257910661 971542954 /nfs/dbraw/zinc/54/29/54/971542954.db2.gz GTVVXUVNTVQNCK-ZDUSSCGKSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC1 ZINC001133483171 971550814 /nfs/dbraw/zinc/55/08/14/971550814.db2.gz TXHHVJYYVKZYLQ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@@H+](C)C1CC[NH+](CC(C)C)CC1 ZINC001258017156 971558226 /nfs/dbraw/zinc/55/82/26/971558226.db2.gz UHFSTUHYWNFKIL-UHFFFAOYSA-N 1 0 210.365 2.225 20 30 BEEDRO Cc1cccc(C#N)c1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217981376 971559159 /nfs/dbraw/zinc/55/91/59/971559159.db2.gz PIZKKNTYJWMELD-OLZOCXBDSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@H](C)n1nnc(CN)n1 ZINC001258038995 971560830 /nfs/dbraw/zinc/56/08/30/971560830.db2.gz IQQGKPHNGXAMRG-JTQLQIEISA-N 1 0 225.340 2.053 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001133528693 971564204 /nfs/dbraw/zinc/56/42/04/971564204.db2.gz KMIIOINCSFLHIR-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1cc(O[C@H]2CC[N@@H+](C)C2)cc(C)c1C#N ZINC001226831767 1169612342 /nfs/dbraw/zinc/61/23/42/1169612342.db2.gz MCPULGXPIXDJDW-LBPRGKRZSA-N 1 0 230.311 2.258 20 30 BEEDRO C#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCCC ZINC001133687313 971590337 /nfs/dbraw/zinc/59/03/37/971590337.db2.gz HVQWXDCXSKKDDI-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCCC ZINC001133687311 971593336 /nfs/dbraw/zinc/59/33/36/971593336.db2.gz HVQWXDCXSKKDDI-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133764734 971596565 /nfs/dbraw/zinc/59/65/65/971596565.db2.gz KXRMSMQVBZQNPG-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO CC(=O)c1cc(C#N)ccc1O[C@H](C)C[NH+](C)C ZINC001226975062 1169616646 /nfs/dbraw/zinc/61/66/46/1169616646.db2.gz MPSDWVYBGWEAGT-SNVBAGLBSA-N 1 0 246.310 2.090 20 30 BEEDRO C=CCc1cccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)c1 ZINC001218149987 971606870 /nfs/dbraw/zinc/60/68/70/971606870.db2.gz ZYQZTSDIFVEUBG-NHAGDIPZSA-N 1 0 229.323 2.402 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C(/C)CC)CC1 ZINC001227211599 1169620346 /nfs/dbraw/zinc/62/03/46/1169620346.db2.gz OHVYPIZEVWRDEX-QXMHVHEDSA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@@H](CC(C)C)OC1CC[NH+](C)CC1 ZINC001222509979 972536415 /nfs/dbraw/zinc/53/64/15/972536415.db2.gz WIYPNLILNLNRNV-LBPRGKRZSA-N 1 0 209.333 2.145 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc2c1CCC2 ZINC001218203786 971626234 /nfs/dbraw/zinc/62/62/34/971626234.db2.gz IKFJIPIUHAVPAV-OAHLLOKOSA-N 1 0 229.323 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1nc2c(cccc2C)[nH]1 ZINC001218204495 971626283 /nfs/dbraw/zinc/62/62/83/971626283.db2.gz QJZIUGOPEKCVAU-LBPRGKRZSA-N 1 0 243.310 2.168 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)cc(F)c1 ZINC001218206138 971627276 /nfs/dbraw/zinc/62/72/76/971627276.db2.gz JANBPLGWGLEBIJ-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)CCCN2 ZINC001218208013 971630576 /nfs/dbraw/zinc/63/05/76/971630576.db2.gz VGBTXTSWWPVZLU-HNNXBMFYSA-N 1 0 244.338 2.342 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CCC1 ZINC001134026704 971652130 /nfs/dbraw/zinc/65/21/30/971652130.db2.gz RXNKWEOXEIDIMJ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C\C ZINC001134047744 971654650 /nfs/dbraw/zinc/65/46/50/971654650.db2.gz RFPGCJWGVYPSAA-CUOXCHRPSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C\C ZINC001134048081 971654858 /nfs/dbraw/zinc/65/48/58/971654858.db2.gz WDWDKJKRAFZYEU-PWGYGRHZSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C/C ZINC001134048083 971654971 /nfs/dbraw/zinc/65/49/71/971654971.db2.gz WDWDKJKRAFZYEU-XJUJAYADSA-N 1 0 224.348 2.012 20 30 BEEDRO CC(=O)/C=C\c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218284489 971679118 /nfs/dbraw/zinc/67/91/18/971679118.db2.gz RLSRZEVXVWNIIP-XVWMLYKFSA-N 1 0 245.322 2.420 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([NH2+]C3CC(C#N)C3)C[C@@H]21 ZINC001170736497 971679427 /nfs/dbraw/zinc/67/94/27/971679427.db2.gz OEPVLCZATPLAQA-XMCLCESHSA-N 1 0 204.317 2.313 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([NH+]3CC(CC#N)C3)C[C@@H]21 ZINC001170741855 971695079 /nfs/dbraw/zinc/69/50/79/971695079.db2.gz XEDZBMJVRNWEQI-ZSBIGDGJSA-N 1 0 204.317 2.266 20 30 BEEDRO C=CCc1ccccc1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218319056 971706297 /nfs/dbraw/zinc/70/62/97/971706297.db2.gz ABFPVHNBYOGEMW-OCCSQVGLSA-N 1 0 235.302 2.494 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)cc(C#N)c2)C1 ZINC001229034045 1169644715 /nfs/dbraw/zinc/64/47/15/1169644715.db2.gz BDFXJCNWBXOOIX-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)C(C)C ZINC001134643796 971748655 /nfs/dbraw/zinc/74/86/55/971748655.db2.gz FPYQQAODBCSWEU-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)n1c2ccccc2nc1O[C@H]1C[NH2+][C@@H]1C ZINC001218383337 971759639 /nfs/dbraw/zinc/75/96/39/971759639.db2.gz NGUXZDRQPSSWBJ-MFKMUULPSA-N 1 0 243.310 2.266 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220198 974452484 /nfs/dbraw/zinc/45/24/84/974452484.db2.gz GBULNRSAABVYNQ-PSEXLTFBSA-N 1 0 207.317 2.088 20 30 BEEDRO C=C(C)c1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1 ZINC001218388561 971768512 /nfs/dbraw/zinc/76/85/12/971768512.db2.gz SGQXURVSOKNUJZ-MFKMUULPSA-N 1 0 203.285 2.459 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001134741097 971776803 /nfs/dbraw/zinc/77/68/03/971776803.db2.gz KMMYHPNUYZINDE-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001134746609 971777708 /nfs/dbraw/zinc/77/77/08/971777708.db2.gz SSLSQJAGDOUBEY-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc(C)n1 ZINC001218452198 971822662 /nfs/dbraw/zinc/82/26/62/971822662.db2.gz RHJIYJXCWCZDPU-CHWSQXEVSA-N 1 0 232.327 2.466 20 30 BEEDRO CC[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172310081 974519812 /nfs/dbraw/zinc/51/98/12/974519812.db2.gz ZXACFXQOHUNRSF-NSHDSACASA-N 1 0 202.301 2.441 20 30 BEEDRO C#C[C@H](Oc1cccc(C[NH3+])c1)C(C)C ZINC001218441499 971818726 /nfs/dbraw/zinc/81/87/26/971818726.db2.gz WMAYJTDZYWFZOK-ZDUSSCGKSA-N 1 0 203.285 2.182 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(C)ccn1 ZINC001218452319 971821322 /nfs/dbraw/zinc/82/13/22/971821322.db2.gz ULSQRVXZCDEUAZ-CHWSQXEVSA-N 1 0 232.327 2.466 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CCF ZINC001172316494 974525685 /nfs/dbraw/zinc/52/56/85/974525685.db2.gz OWOYCNMHLMNLSR-NSHDSACASA-N 1 0 220.291 2.391 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C=C(C)C ZINC001230682636 1169671472 /nfs/dbraw/zinc/67/14/72/1169671472.db2.gz WYNIIXYTESXKLV-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCF ZINC001135236102 971852722 /nfs/dbraw/zinc/85/27/22/971852722.db2.gz QCQFNGJSKRPPNK-MNOVXSKESA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C=C ZINC001135231060 971853935 /nfs/dbraw/zinc/85/39/35/971853935.db2.gz VTSPTTWCWVCUFF-NEPJUHHUSA-N 1 0 238.375 2.258 20 30 BEEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)C/C=C(/C)C=C ZINC001135244348 971854194 /nfs/dbraw/zinc/85/41/94/971854194.db2.gz ZVLFODZOBZHAAY-YMOXITQKSA-N 1 0 248.370 2.015 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001172325265 974536282 /nfs/dbraw/zinc/53/62/82/974536282.db2.gz SNQGRHKAJCEOGY-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C#Cc1cccc(C[N@@H+](C)C2CCOCC2)c1 ZINC001231656805 1169678435 /nfs/dbraw/zinc/67/84/35/1169678435.db2.gz SCOOUPBMJNMJIN-UHFFFAOYSA-N 1 0 229.323 2.279 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135235133 971852225 /nfs/dbraw/zinc/85/22/25/971852225.db2.gz HBIUFXVJQDYXFO-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC001231661920 1169679841 /nfs/dbraw/zinc/67/98/41/1169679841.db2.gz ABQPSSJBRUJZCY-INIZCTEOSA-N 1 0 241.334 2.423 20 30 BEEDRO Cc1cc(C#N)c(NC(=O)[C@@]2(C)CCC[NH2+]2)s1 ZINC001218554552 971862856 /nfs/dbraw/zinc/86/28/56/971862856.db2.gz LHKFPHMYMBKVLA-GFCCVEGCSA-N 1 0 249.339 2.009 20 30 BEEDRO N#Cc1sccc1NC(=O)[C@@H]([NH3+])CC1CCC1 ZINC001218625083 971889798 /nfs/dbraw/zinc/88/97/98/971889798.db2.gz SESWTJKANVFKNM-VIFPVBQESA-N 1 0 249.339 2.076 20 30 BEEDRO C[C@@H]([NH3+])C(=O)Nc1sc2ccccc2c1C#N ZINC001218649013 971898943 /nfs/dbraw/zinc/89/89/43/971898943.db2.gz PBUGQMPOFKQUQL-SSDOTTSWSA-N 1 0 245.307 2.059 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1scnc1C1CC1 ZINC000309981987 971907071 /nfs/dbraw/zinc/90/70/71/971907071.db2.gz WNEGJXKEZQRQKS-JTQLQIEISA-N 1 0 238.356 2.311 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccc(C(=O)CC#N)cc1 ZINC001233525334 1169688746 /nfs/dbraw/zinc/68/87/46/1169688746.db2.gz JSQVKDMDYYMGRP-NSHDSACASA-N 1 0 246.310 2.112 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135564504 971922000 /nfs/dbraw/zinc/92/20/00/971922000.db2.gz DXOODUXSPZOFIL-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135564503 971922019 /nfs/dbraw/zinc/92/20/19/971922019.db2.gz DXOODUXSPZOFIL-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC[C@@H](C)CC ZINC001135615767 971943456 /nfs/dbraw/zinc/94/34/56/971943456.db2.gz VIBDFCSERYLOQQ-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[NH2+][C@@H](C)CC#N ZINC001172340458 974609171 /nfs/dbraw/zinc/60/91/71/974609171.db2.gz WSWVMGMZXXWGNM-SRVKXCTJSA-N 1 0 212.337 2.472 20 30 BEEDRO COCCO[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817325300 971989979 /nfs/dbraw/zinc/98/99/79/971989979.db2.gz FJCDNNYRYBJZQQ-UHFFFAOYSA-N 1 0 248.326 2.362 20 30 BEEDRO C=C1CC(C)(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC001219349194 972006753 /nfs/dbraw/zinc/00/67/53/972006753.db2.gz FVPUGYUHMAVACK-UHFFFAOYSA-N 1 0 230.311 2.440 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001135982442 972016031 /nfs/dbraw/zinc/01/60/31/972016031.db2.gz GPTFLFOUGDTTMY-QWRGUYRKSA-N 1 0 226.364 2.091 20 30 BEEDRO C[C@@H]([NH3+])CCNc1cccc2[nH]c(C#N)cc21 ZINC001170891448 972045388 /nfs/dbraw/zinc/04/53/88/972045388.db2.gz YEJVCBRRDVMEIR-SECBINFHSA-N 1 0 228.299 2.189 20 30 BEEDRO Cc1cc(CC#N)ccc1NCC[C@@H](C)[NH3+] ZINC001170891198 972045960 /nfs/dbraw/zinc/04/59/60/972045960.db2.gz VCROSDOOGGNVMY-LLVKDONJSA-N 1 0 217.316 2.210 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170961231 972169972 /nfs/dbraw/zinc/16/99/72/972169972.db2.gz OVIGTYNKGUWJTG-JQWIXIFHSA-N 1 0 217.287 2.294 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@@H]1N ZINC001246120389 972181869 /nfs/dbraw/zinc/18/18/69/972181869.db2.gz HHRVLKZGIJSURJ-FRRDWIJNSA-N 1 0 228.380 2.051 20 30 BEEDRO C/C=C(\NC=[NH2+])c1cc(F)cc(C#N)c1 ZINC001241656000 1169736402 /nfs/dbraw/zinc/73/64/02/1169736402.db2.gz QARSVEJGXRTBTE-FUQNDXKWSA-N 1 0 203.220 2.255 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NCCCS)cc1 ZINC001171002061 972227203 /nfs/dbraw/zinc/22/72/03/972227203.db2.gz DXRTZWWHSJAGIJ-VIFPVBQESA-N 1 0 210.346 2.438 20 30 BEEDRO C=CCCCNC(=O)[C@H](CCCCC)[NH2+]C ZINC001220484802 972232657 /nfs/dbraw/zinc/23/26/57/972232657.db2.gz UVXZHMYBGWCFPS-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC[C@H](C)SC)C1 ZINC001208146314 957016893 /nfs/dbraw/zinc/01/68/93/957016893.db2.gz DVYUEPNHHGLBLF-NWDGAFQWSA-N 1 0 211.374 2.473 20 30 BEEDRO CS[C@@H](C)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC001208150864 957027647 /nfs/dbraw/zinc/02/76/47/957027647.db2.gz RRZMXAWBGXJRAN-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC000705284972 957073668 /nfs/dbraw/zinc/07/36/68/957073668.db2.gz KQAHSEUTMIAPNP-YGRLFVJLSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000705302479 957108391 /nfs/dbraw/zinc/10/83/91/957108391.db2.gz VYZXVWRUFSHGRV-GXFFZTMASA-N 1 0 248.301 2.043 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1C#N ZINC000705350854 957163036 /nfs/dbraw/zinc/16/30/36/957163036.db2.gz DJNJXUPYIGPKNG-WFASDCNBSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1ccc(C#N)cc1NC1=CC[N@H+](C)CC1 ZINC001208844215 957182883 /nfs/dbraw/zinc/18/28/83/957182883.db2.gz OONDTKKOPRJJKG-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000692973244 957183416 /nfs/dbraw/zinc/18/34/16/957183416.db2.gz BIOWXXMFBHZPQR-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208856685 957184353 /nfs/dbraw/zinc/18/43/53/957184353.db2.gz QCWFFSKZDLRUFI-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(C#N)c(F)c2)CC1 ZINC001208844183 957185481 /nfs/dbraw/zinc/18/54/81/957185481.db2.gz NORRWQGBQARDJA-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001266323814 957241956 /nfs/dbraw/zinc/24/19/56/957241956.db2.gz OMPVLZMNSAZHNZ-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001209200092 957348069 /nfs/dbraw/zinc/34/80/69/957348069.db2.gz BNTTYTUGZNSISE-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCCCCC)C1 ZINC001266355423 957348210 /nfs/dbraw/zinc/34/82/10/957348210.db2.gz HWXSJDAKRWMPSD-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCCCN1CC[NH+](CCCCC)CC1 ZINC001209265765 957368525 /nfs/dbraw/zinc/36/85/25/957368525.db2.gz HWHUNZYYTZRKSH-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO CCOC(=O)CCCCCC[N@H+](C)CCC#N ZINC001209347731 957393324 /nfs/dbraw/zinc/39/33/24/957393324.db2.gz KTGHSKLVPLQJEL-UHFFFAOYSA-N 1 0 240.347 2.345 20 30 BEEDRO C=C(Cl)CN(CC)CCNC(=O)[C@@H](C)CC ZINC001266378025 957410734 /nfs/dbraw/zinc/41/07/34/957410734.db2.gz MWYLXRHUCKYARY-JTQLQIEISA-N 1 0 246.782 2.223 20 30 BEEDRO C[C@H]1CC(C[N@@H+]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC001209390910 957413150 /nfs/dbraw/zinc/41/31/50/957413150.db2.gz PCIZGJQRPXUJSW-SDDRHHMPSA-N 1 0 222.332 2.035 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)CCC1CC1 ZINC000385902952 957424155 /nfs/dbraw/zinc/42/41/55/957424155.db2.gz CHHRYZJSIKSXBZ-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCCCC[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC001209431854 957463688 /nfs/dbraw/zinc/46/36/88/957463688.db2.gz UZPCKDGGAQXMRQ-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC1(C)C ZINC001266410466 957490413 /nfs/dbraw/zinc/49/04/13/957490413.db2.gz BUHYEYBNWZVIIF-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1ccc(C=C)cc1 ZINC001167223562 957558372 /nfs/dbraw/zinc/55/83/72/957558372.db2.gz YLBFSLATSRWTHS-UHFFFAOYSA-N 1 0 244.338 2.225 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCCC(C)C ZINC001167229354 957559792 /nfs/dbraw/zinc/55/97/92/957559792.db2.gz CZGDTTHWWSAMBV-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CN(C)c1cc[nH+]cc1Nc1cncc(C#N)c1 ZINC001210084379 957635571 /nfs/dbraw/zinc/63/55/71/957635571.db2.gz ZQPJDLKABHNGJX-UHFFFAOYSA-N 1 0 239.282 2.158 20 30 BEEDRO CCCCCCCCC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000316534008 972285798 /nfs/dbraw/zinc/28/57/98/972285798.db2.gz QBWHPRILUTZCSP-UONOGXRCSA-N 1 0 243.391 2.022 20 30 BEEDRO Cc1[nH+]cc(Nc2cnc(C#N)c(C)c2)n1C ZINC001210202693 957667304 /nfs/dbraw/zinc/66/73/04/957667304.db2.gz MQKZMTXNTDAJDA-UHFFFAOYSA-N 1 0 227.271 2.047 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCC1CCC1 ZINC001125402069 957786800 /nfs/dbraw/zinc/78/68/00/957786800.db2.gz VHLVZNRJKQOJPK-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C)CC ZINC001331259448 974664767 /nfs/dbraw/zinc/66/47/67/974664767.db2.gz RIYJLVCFKJGHDE-YPMHNXCESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)[C@@H]1C[C@H]1C ZINC001266567987 957853228 /nfs/dbraw/zinc/85/32/28/957853228.db2.gz ALOWAKLMAGVHFV-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)/C(C)=C/C ZINC001125443210 957959742 /nfs/dbraw/zinc/95/97/42/957959742.db2.gz FMHWEHHUEYPFRD-WLRTZDKTSA-N 1 0 238.375 2.405 20 30 BEEDRO Cn1cc(C[N@@H+]2CCCCC23CC3)cc1C#N ZINC001207109855 958036350 /nfs/dbraw/zinc/03/63/50/958036350.db2.gz XPGMUOPEJZKASI-UHFFFAOYSA-N 1 0 229.327 2.415 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(Cl)nc1C#N ZINC001211245983 958101639 /nfs/dbraw/zinc/10/16/39/958101639.db2.gz XDRVJYRKHCDCQR-UHFFFAOYSA-N 1 0 233.662 2.084 20 30 BEEDRO Cn1c[nH+]cc1Nc1onc(C(C)(C)C)c1C#N ZINC001211246546 958109659 /nfs/dbraw/zinc/10/96/59/958109659.db2.gz DFNOPUKGHDYWLA-UHFFFAOYSA-N 1 0 245.286 2.321 20 30 BEEDRO COc1c[nH+]ccc1Nc1cccc(C#N)c1 ZINC001211262559 958128771 /nfs/dbraw/zinc/12/87/71/958128771.db2.gz GKLPBJNEYNKKCW-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO C=C(C)Cc1ccc(C(=O)NCCCC[NH3+])cc1 ZINC001221346506 972322432 /nfs/dbraw/zinc/32/24/32/972322432.db2.gz JRLCYADHCXVWQQ-UHFFFAOYSA-N 1 0 246.354 2.274 20 30 BEEDRO C=C(Cl)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187924577 958162500 /nfs/dbraw/zinc/16/25/00/958162500.db2.gz QQEHDCBOHKVBLB-ONGXEEELSA-N 1 0 217.740 2.222 20 30 BEEDRO C[C@@H]1C[C@H]1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402182797 958181754 /nfs/dbraw/zinc/18/17/54/958181754.db2.gz DYNZZAASAANGTF-UGFHNGPFSA-N 1 0 244.338 2.179 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000402207382 958186664 /nfs/dbraw/zinc/18/66/64/958186664.db2.gz LFCGMXZPVILLSN-SWLSCSKDSA-N 1 0 244.338 2.324 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC000971268773 958236850 /nfs/dbraw/zinc/23/68/50/958236850.db2.gz YCPUDYYQLYUGIT-AFNCTOJWSA-N 1 0 248.370 2.061 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(C(=O)OC)co2)CCC1 ZINC000933300746 958351313 /nfs/dbraw/zinc/35/13/13/958351313.db2.gz COTJYUJDVCANCG-UHFFFAOYSA-N 1 0 247.294 2.102 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1oc(C)nc1C ZINC000723617201 958402390 /nfs/dbraw/zinc/40/23/90/958402390.db2.gz NOXGAAJPHCNVGP-GFCCVEGCSA-N 1 0 206.289 2.183 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C)CCCC ZINC001266935002 958622030 /nfs/dbraw/zinc/62/20/30/958622030.db2.gz DYSPGYORYBMDLT-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C)CCCC ZINC001266935000 958625299 /nfs/dbraw/zinc/62/52/99/958625299.db2.gz DYSPGYORYBMDLT-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[NH2+]CCCC ZINC001266941020 958632350 /nfs/dbraw/zinc/63/23/50/958632350.db2.gz BGHBGUKWOIKHHH-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)c1cc[nH]c1 ZINC001266941756 958632644 /nfs/dbraw/zinc/63/26/44/958632644.db2.gz SXWOPMDWDHNITL-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC(C)(F)F ZINC001266969682 958682699 /nfs/dbraw/zinc/68/26/99/958682699.db2.gz DJJRHVHDNLPBTN-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000724153748 958742477 /nfs/dbraw/zinc/74/24/77/958742477.db2.gz HBZSCCCNWRWSDU-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2(CC=C)CCC2)C1 ZINC001267019052 958760748 /nfs/dbraw/zinc/76/07/48/958760748.db2.gz ZBTJXPMDMNYJFT-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001480913725 958767539 /nfs/dbraw/zinc/76/75/39/958767539.db2.gz SYJFRUIFKUXZHC-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#N)nc2)C1 ZINC001140545918 958845793 /nfs/dbraw/zinc/84/57/93/958845793.db2.gz PUARKJUSCNWYQN-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC001167548862 958857462 /nfs/dbraw/zinc/85/74/62/958857462.db2.gz JEYBLYMIJHPKLT-STQMWFEESA-N 1 0 239.359 2.472 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)CC ZINC001267117376 958893866 /nfs/dbraw/zinc/89/38/66/958893866.db2.gz RZIOADZCBRFGIO-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)CC ZINC001267117373 958895708 /nfs/dbraw/zinc/89/57/08/958895708.db2.gz RZIOADZCBRFGIO-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)CC(C)C ZINC001267117901 958898407 /nfs/dbraw/zinc/89/84/07/958898407.db2.gz DLVCHEZNXZJFNA-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)/C(C)=C\CC ZINC001267123063 958917157 /nfs/dbraw/zinc/91/71/57/958917157.db2.gz TUTFCMIBNPWXTO-SEVUFMINSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)OC(C)(C)C ZINC000307107763 959045063 /nfs/dbraw/zinc/04/50/63/959045063.db2.gz GBORQILJPPFYSI-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C=CCCC(=O)NCC[N@@H+](C)CC1CCCC1 ZINC001267187719 959103464 /nfs/dbraw/zinc/10/34/64/959103464.db2.gz AQQWWBCDVIUFPH-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)CC1CCC1 ZINC001267237808 959269556 /nfs/dbraw/zinc/26/95/56/959269556.db2.gz ZAECKMZAQCYFFW-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001207363259 959283839 /nfs/dbraw/zinc/28/38/39/959283839.db2.gz MUYQCZKSGIKYOE-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CCCOC2)CCCC1 ZINC000405102685 959388082 /nfs/dbraw/zinc/38/80/82/959388082.db2.gz FGMRBXHMHMAULA-LBPRGKRZSA-N 1 0 222.332 2.087 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)CC(C)C ZINC001267309745 959408008 /nfs/dbraw/zinc/40/80/08/959408008.db2.gz RUQJHIOIUXYKHI-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H](C)CCC(C)C ZINC000309072212 959577029 /nfs/dbraw/zinc/57/70/29/959577029.db2.gz FKOLAEZHECSMPX-OLZOCXBDSA-N 1 0 211.349 2.175 20 30 BEEDRO C=C[C@H](CCC)OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884732 959705079 /nfs/dbraw/zinc/70/50/79/959705079.db2.gz RUCYWGHNIXEHQS-MQYQWHSLSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H](CCC)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884730 959707118 /nfs/dbraw/zinc/70/71/18/959707118.db2.gz RUCYWGHNIXEHQS-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H](CCC)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884741 959708349 /nfs/dbraw/zinc/70/83/49/959708349.db2.gz RUCYWGHNIXEHQS-XUXIUFHCSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCn1cc(-c2ccc3c(c2)C[NH2+]CC3)cn1 ZINC001222386922 972453439 /nfs/dbraw/zinc/45/34/39/972453439.db2.gz YTXKOTGDFIDVDF-UHFFFAOYSA-N 1 0 239.322 2.382 20 30 BEEDRO C=C[C@H](C#CC(C)(C)C)OC[C@@H]1CCC[NH2+]1 ZINC001217915506 959750319 /nfs/dbraw/zinc/75/03/19/959750319.db2.gz LVTXMXWUMSMQSG-QWHCGFSZSA-N 1 0 221.344 2.359 20 30 BEEDRO C=C[C@H](CCCC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217931159 959782740 /nfs/dbraw/zinc/78/27/40/959782740.db2.gz RDHXGKSDTCRFGS-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCNC(=O)c1cc[nH]c1 ZINC001480976801 959871032 /nfs/dbraw/zinc/87/10/32/959871032.db2.gz AYIPJMGRDKOGNV-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)C(C)(C)CC ZINC001480996739 959880160 /nfs/dbraw/zinc/88/01/60/959880160.db2.gz GVRXLLMKEBCUCQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@@H]1CC(C[N@@H+]2CC[C@](C)(C#N)C2)C[C@@H](C)O1 ZINC000724869183 959923416 /nfs/dbraw/zinc/92/34/16/959923416.db2.gz XYJHKIXUPAVEMA-YRGRVCCFSA-N 1 0 236.359 2.426 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccc(N)c(C#N)c1 ZINC001213426938 959939504 /nfs/dbraw/zinc/93/95/04/959939504.db2.gz FNVSBECSHBCUIQ-UHFFFAOYSA-N 1 0 224.267 2.009 20 30 BEEDRO Cc1cc(C#N)cc(C)c1O[C@H]1C[NH2+]CC[C@H]1F ZINC001218318961 959976149 /nfs/dbraw/zinc/97/61/49/959976149.db2.gz KDIVRXHKJGEAIG-OLZOCXBDSA-N 1 0 248.301 2.254 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000383127411 960001221 /nfs/dbraw/zinc/00/12/21/960001221.db2.gz HXEVBOJYVZQWSS-FICVDOATSA-N 1 0 236.403 2.356 20 30 BEEDRO CCCCCCCCN1CC2(C1)C[NH2+]CCO2 ZINC001222441977 972483799 /nfs/dbraw/zinc/48/37/99/972483799.db2.gz YCFPOKNDHBNQIS-UHFFFAOYSA-N 1 0 240.391 2.021 20 30 BEEDRO C=CCCC[NH+]1CC(NC(=O)CC(C)(C)C)C1 ZINC001267636316 960152748 /nfs/dbraw/zinc/15/27/48/960152748.db2.gz ANLKRUNNDCRYQT-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(OCC#N)c1)C1CC1 ZINC000037259240 960171970 /nfs/dbraw/zinc/17/19/70/960171970.db2.gz NRJSTNKKFDRENP-LLVKDONJSA-N 1 0 230.311 2.477 20 30 BEEDRO C=CC[C@@H](C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001144020186 972487993 /nfs/dbraw/zinc/48/79/93/972487993.db2.gz BIZXUAOWGVTFBC-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccoc2)C1 ZINC001267717695 960226798 /nfs/dbraw/zinc/22/67/98/960226798.db2.gz GYOQQXCNAKCZDH-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001267737216 960255989 /nfs/dbraw/zinc/25/59/89/960255989.db2.gz AIFQXKCHESJTSY-ICDLMJIXSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001481266267 960345123 /nfs/dbraw/zinc/34/51/23/960345123.db2.gz DEZNVQLQGORYPE-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CC[NH2+]CCC ZINC001481268894 960367742 /nfs/dbraw/zinc/36/77/42/960367742.db2.gz CKBKCRWFTQVJLE-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC3(C[NH2+]C3)C2)CC1 ZINC001222461655 972501472 /nfs/dbraw/zinc/50/14/72/972501472.db2.gz XYLQWXADHVKEKD-CQSZACIVSA-N 1 0 232.371 2.194 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C(C)(C)CCC ZINC001481273700 960418664 /nfs/dbraw/zinc/41/86/64/960418664.db2.gz ZVPFBJHYLSPTJM-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CCC[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000396907157 960418704 /nfs/dbraw/zinc/41/87/04/960418704.db2.gz GMWZUSSUCMCYRR-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO COC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1CC1 ZINC000695778010 960455386 /nfs/dbraw/zinc/45/53/86/960455386.db2.gz JZJZCXGLKWUVFW-CMPLNLGQSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000695780500 960455664 /nfs/dbraw/zinc/45/56/64/960455664.db2.gz UOHUWTFINHDTFW-WOPDTQHZSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC[NH2+]C[C@@]1(NC(=O)CC)CCCC[C@@H]1C ZINC001267867453 960455832 /nfs/dbraw/zinc/45/58/32/960455832.db2.gz GAQDKWPEJWYBJB-JSGCOSHPSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H](C)C(=O)N(C(C)C)C(C)(C)C[NH3+] ZINC001144029175 972505636 /nfs/dbraw/zinc/50/56/36/972505636.db2.gz QMVBQCFEXBIWQI-LLVKDONJSA-N 1 0 226.364 2.173 20 30 BEEDRO Cc1c(O)ccc(C[NH+]2CCC(C#N)CC2)c1O ZINC001140742407 960546249 /nfs/dbraw/zinc/54/62/49/960546249.db2.gz NBSVEAIHQRZDHQ-UHFFFAOYSA-N 1 0 246.310 2.142 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(O)c(C)c2O)CC1 ZINC001140747978 960552040 /nfs/dbraw/zinc/55/20/40/960552040.db2.gz QBQAWEITGFBZJH-UHFFFAOYSA-N 1 0 245.322 2.251 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1COC(C)(C)C1 ZINC000695890985 960570714 /nfs/dbraw/zinc/57/07/14/960570714.db2.gz KQIOHNGTCUQYTF-GHMZBOCLSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@@H]([NH3+])[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702897 960701990 /nfs/dbraw/zinc/70/19/90/960701990.db2.gz FTIYCVMCSSRVHH-OSRDXIQISA-N 1 0 243.354 2.357 20 30 BEEDRO C#CCCCCC[NH2+][C@H]1CCOC1(C)C ZINC000686682758 960792006 /nfs/dbraw/zinc/79/20/06/960792006.db2.gz HOLIZSMHVDLPNC-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCCC ZINC001268051117 961056500 /nfs/dbraw/zinc/05/65/00/961056500.db2.gz VSYZRUSWPKQYOV-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO CC#CC[NH2+]C[C@H](C)N(C)C(=O)CCCCC ZINC001268051118 961057916 /nfs/dbraw/zinc/05/79/16/961057916.db2.gz VSYZRUSWPKQYOV-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)CC ZINC001268058522 961106380 /nfs/dbraw/zinc/10/63/80/961106380.db2.gz DQOUIOCVTQPPME-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001481523456 961109924 /nfs/dbraw/zinc/10/99/24/961109924.db2.gz VWGYQAHFDSYSAA-IEZBTEQYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)C1CCC1 ZINC001268071426 961134542 /nfs/dbraw/zinc/13/45/42/961134542.db2.gz OSUZWGPJIOTVGI-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001268078759 961143620 /nfs/dbraw/zinc/14/36/20/961143620.db2.gz JDKGPPAGFVMGAX-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCCCCC(=O)N(C)[C@@H](C)C[NH2+]CC ZINC001268079102 961150466 /nfs/dbraw/zinc/15/04/66/961150466.db2.gz OXGOCTJUQQFYDD-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO N#CCc1cc(N[C@H]2CC[C@H](C#N)CC2)cc[nH+]1 ZINC001167844949 961249208 /nfs/dbraw/zinc/24/92/08/961249208.db2.gz DWDOKGPPQVPXLB-HAQNSBGRSA-N 1 0 240.310 2.064 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[S@](C)=O ZINC000692215754 961350397 /nfs/dbraw/zinc/35/03/97/961350397.db2.gz SEWIDJIHMLGKRR-JMSVASOKSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CCn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cn1 ZINC001139766790 961488311 /nfs/dbraw/zinc/48/83/11/961488311.db2.gz UWQKMUGGAMREOM-OKILXGFUSA-N 1 0 231.343 2.301 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167898645 961533436 /nfs/dbraw/zinc/53/34/36/961533436.db2.gz SXTWSQPXJUCRSW-BTTYYORXSA-N 1 0 212.296 2.446 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CC(=C)C ZINC001481676919 961545518 /nfs/dbraw/zinc/54/55/18/961545518.db2.gz RNYXIXZIUHUIAJ-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001481685718 961567085 /nfs/dbraw/zinc/56/70/85/961567085.db2.gz QYCVKHADEDWLSV-OTAKNEKHSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@H](C[N+](C)(C)C)O[C@@H](C#N)c1ccccc1 ZINC001223709236 961618394 /nfs/dbraw/zinc/61/83/94/961618394.db2.gz KAMYURBZROQAIH-OCCSQVGLSA-N 1 0 233.335 2.363 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](N(C)C(=O)CCC)C1 ZINC001481711612 961628970 /nfs/dbraw/zinc/62/89/70/961628970.db2.gz MKERJDQDUWIOJX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)CC ZINC001268345124 961634285 /nfs/dbraw/zinc/63/42/85/961634285.db2.gz LZFOVEYLZXOGOH-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)CC[NH2+]CC ZINC001268406883 961739843 /nfs/dbraw/zinc/73/98/43/961739843.db2.gz WXHYORIWXGTTBK-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)C(C)C ZINC001268435639 961776188 /nfs/dbraw/zinc/77/61/88/961776188.db2.gz CTCYNNRMSLKZPZ-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C1(C)CC=CC1 ZINC001481847350 961844453 /nfs/dbraw/zinc/84/44/53/961844453.db2.gz DBKWTTGNABUGOD-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO N#CC1CC[NH+](Cc2cccn3ccnc23)CC1 ZINC001142944477 961845479 /nfs/dbraw/zinc/84/54/79/961845479.db2.gz MHTSAGAXWQZONH-UHFFFAOYSA-N 1 0 240.310 2.070 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)C(C)(C)CC ZINC001481850572 961851268 /nfs/dbraw/zinc/85/12/68/961851268.db2.gz VMHINKFCQFVWKS-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C(C)(C)C ZINC001481870120 961852735 /nfs/dbraw/zinc/85/27/35/961852735.db2.gz OYKMXCSNCOGLFZ-SNVBAGLBSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCCCC(=O)N(CC)CC[NH2+]C(C)C ZINC001268475672 961854981 /nfs/dbraw/zinc/85/49/81/961854981.db2.gz RMRGPKZCCCPFQA-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc(C#N)c2)C1 ZINC001225223219 961880963 /nfs/dbraw/zinc/88/09/63/961880963.db2.gz IJXCARDQYNEKFG-AWEZNQCLSA-N 1 0 230.311 2.420 20 30 BEEDRO C#CCCCCC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000686679997 961940233 /nfs/dbraw/zinc/94/02/33/961940233.db2.gz YGEWOWNGBANIRK-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)c(N)n1 ZINC001143208659 961945626 /nfs/dbraw/zinc/94/56/26/961945626.db2.gz KDWRKCJZQACOLV-GFCCVEGCSA-N 1 0 244.342 2.098 20 30 BEEDRO C#CC1CC[NH+](Cc2ccoc2C)CC1 ZINC000843426967 962008839 /nfs/dbraw/zinc/00/88/39/962008839.db2.gz PAOQSFLSKWDCSW-UHFFFAOYSA-N 1 0 203.285 2.433 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)/C(C)=C/C ZINC001482092027 962010732 /nfs/dbraw/zinc/01/07/32/962010732.db2.gz PHJGBXWACBOJIU-RAJVOEEQSA-N 1 0 244.766 2.047 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)/C(C)=C\C ZINC001482092025 962011777 /nfs/dbraw/zinc/01/17/77/962011777.db2.gz PHJGBXWACBOJIU-JRZFIGEHSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001268639751 962226308 /nfs/dbraw/zinc/22/63/08/962226308.db2.gz NDPRFBXXFJPSPN-CNELAYHGSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]CC[C@@H](C)F ZINC001268646644 962240750 /nfs/dbraw/zinc/24/07/50/962240750.db2.gz JJBBOEDBQFZJHE-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@](C)(O)C1CC1 ZINC000695813179 962258485 /nfs/dbraw/zinc/25/84/85/962258485.db2.gz SFTGQNBKYFPCSP-ZWNOBZJWSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(N)cc1)C1CC1 ZINC000131645999 962293901 /nfs/dbraw/zinc/29/39/01/962293901.db2.gz GJIIUIPEIZZSCS-UHFFFAOYSA-N 1 0 202.301 2.419 20 30 BEEDRO C=C(Cl)CN(CC)[C@H](C)CNC(=O)C(C)C ZINC001151941080 962360815 /nfs/dbraw/zinc/36/08/15/962360815.db2.gz KDWMUVCPSJCOSU-LLVKDONJSA-N 1 0 246.782 2.222 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC1CC1 ZINC001152352890 962411387 /nfs/dbraw/zinc/41/13/87/962411387.db2.gz OEQWYSADZFLVIV-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCCN1CC[NH2+][C@@H](CCO)C1 ZINC000710599823 962418393 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/nfs/dbraw/zinc/94/21/78/962942178.db2.gz PPCNCKAPQKURNE-UHFFFAOYSA-N 1 0 244.342 2.211 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)C[NH2+]CC(C)C ZINC001270478987 962989040 /nfs/dbraw/zinc/98/90/40/962989040.db2.gz WXMRPRBIEMOANT-GFCCVEGCSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001270534280 963006670 /nfs/dbraw/zinc/00/66/70/963006670.db2.gz IYSFNJTVJSRMQQ-OLZOCXBDSA-N 1 0 240.391 2.197 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001254669601 1169818188 /nfs/dbraw/zinc/81/81/88/1169818188.db2.gz TZDUKASHCKELBI-QWHCGFSZSA-N 1 0 234.343 2.324 20 30 BEEDRO CCCCC[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668555 1169817164 /nfs/dbraw/zinc/81/71/64/1169817164.db2.gz ITILCRXBMJAIMX-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)/C(C)=C\CC ZINC001155292182 963042826 /nfs/dbraw/zinc/04/28/26/963042826.db2.gz QXBJIWABTZPJNS-POHAHGRESA-N 1 0 244.766 2.191 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C(=C)C ZINC001482317325 963075315 /nfs/dbraw/zinc/07/53/15/963075315.db2.gz QBQNVHSYZWSTRO-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1nccn1C1CC1 ZINC000894854722 963108616 /nfs/dbraw/zinc/10/86/16/963108616.db2.gz FJUJTZCTUBFCQR-UHFFFAOYSA-N 1 0 232.331 2.247 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@H](C)C(C)C ZINC001155626685 963123344 /nfs/dbraw/zinc/12/33/44/963123344.db2.gz DWDLCCATISSRET-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CCCC(C)(C)C ZINC001155701791 963158429 /nfs/dbraw/zinc/15/84/29/963158429.db2.gz JHBUZXKTKACLIC-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CN(C)c1cc[nH+]c(NC2=CC(=O)CCC2)c1 ZINC001155708526 963162734 /nfs/dbraw/zinc/16/27/34/963162734.db2.gz NAOSRPVFGQPIGT-UHFFFAOYSA-N 1 0 231.299 2.196 20 30 BEEDRO C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)C ZINC001482378966 963228293 /nfs/dbraw/zinc/22/82/93/963228293.db2.gz XCXOEVFALAXOCP-ZDUSSCGKSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)/C=C/C1CC1 ZINC001156172101 963271751 /nfs/dbraw/zinc/27/17/51/963271751.db2.gz CYHVSEQXFBWHJA-VOTSOKGWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)/C=C\C1CC1 ZINC001156172100 963273045 /nfs/dbraw/zinc/27/30/45/963273045.db2.gz CYHVSEQXFBWHJA-SREVYHEPSA-N 1 0 236.359 2.015 20 30 BEEDRO N#C[C@H](Oc1cc[nH+]c(N)c1)c1cccc(F)c1 ZINC001226654536 963276064 /nfs/dbraw/zinc/27/60/64/963276064.db2.gz ZLOSLLWUYPSCQE-LBPRGKRZSA-N 1 0 243.241 2.447 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]CC(=C)Cl ZINC001270915476 963293510 /nfs/dbraw/zinc/29/35/10/963293510.db2.gz XLWYUUHAAVNHMO-NSHDSACASA-N 1 0 244.766 2.142 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@H](C)C1CC1 ZINC001156273583 963299714 /nfs/dbraw/zinc/29/97/14/963299714.db2.gz BVNSNEANGLFZLS-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1CC ZINC001087539691 963327467 /nfs/dbraw/zinc/32/74/67/963327467.db2.gz IEXGAMFXJCQHIQ-UONOGXRCSA-N 1 0 248.370 2.252 20 30 BEEDRO CC[C@H](CC#N)Nc1cccc(CC[NH3+])c1 ZINC001255160090 1169822150 /nfs/dbraw/zinc/82/21/50/1169822150.db2.gz FVBQKMNUDSBDPC-GFCCVEGCSA-N 1 0 217.316 2.292 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccnc(OC)c2F)C1 ZINC000895562669 963434515 /nfs/dbraw/zinc/43/45/15/963434515.db2.gz KLUDOKNDMTYFDW-NSHDSACASA-N 1 0 248.301 2.075 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000895562534 963434664 /nfs/dbraw/zinc/43/46/64/963434664.db2.gz JDIQGIJFZDEZMP-NSHDSACASA-N 1 0 219.284 2.133 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895563087 963435442 /nfs/dbraw/zinc/43/54/42/963435442.db2.gz TUEVMBIAOWRFTQ-CYBMUJFWSA-N 1 0 243.354 2.453 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2cc(C#N)ccc2F)C1 ZINC001227057479 963448574 /nfs/dbraw/zinc/44/85/74/963448574.db2.gz CFSYEVJTGHNHRO-LLVKDONJSA-N 1 0 234.274 2.170 20 30 BEEDRO N#Cc1ccccc1CNc1cc(N)cc[nH+]1 ZINC001156783514 963463327 /nfs/dbraw/zinc/46/33/27/963463327.db2.gz AHGXHXBBXIADOS-UHFFFAOYSA-N 1 0 224.267 2.148 20 30 BEEDRO Cc1c[nH+]c(NCc2ccccc2C#N)cc1N ZINC001156786546 963463428 /nfs/dbraw/zinc/46/34/28/963463428.db2.gz FJHKOVPWDAZWRY-UHFFFAOYSA-N 1 0 238.294 2.456 20 30 BEEDRO Cc1c[nH+]c(N[C@H]2CC[C@H](C#N)CC2)cc1N ZINC001157055589 963519760 /nfs/dbraw/zinc/51/97/60/963519760.db2.gz KZHKQNCSENAENC-XYPYZODXSA-N 1 0 230.315 2.467 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)CCCC ZINC001126578779 963527167 /nfs/dbraw/zinc/52/71/67/963527167.db2.gz GOCQESNTKROECR-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C#CCO[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC001205019634 963550290 /nfs/dbraw/zinc/55/02/90/963550290.db2.gz YSSFOIPRRLDJCT-ZFWWWQNUSA-N 1 0 229.323 2.157 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000985345449 963557939 /nfs/dbraw/zinc/55/79/39/963557939.db2.gz HDOLYBVVDQSUJC-VOTSOKGWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)CCCC ZINC001157378160 963587509 /nfs/dbraw/zinc/58/75/09/963587509.db2.gz FFCIIFUVIYXQQV-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC[NH2+][C@H](CNC(=O)C1CC1)C(C)C ZINC001271800046 963639128 /nfs/dbraw/zinc/63/91/28/963639128.db2.gz PPZAHORMMUTLFT-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)NC[C@H]([NH2+]CC(=C)C)C(C)C ZINC001271816519 963649389 /nfs/dbraw/zinc/64/93/89/963649389.db2.gz ZPAOWDPLIBLLKL-ZDUSSCGKSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)/C=C(\C)CC ZINC001157550515 963657925 /nfs/dbraw/zinc/65/79/25/963657925.db2.gz FPDXUNQGKCICLR-ACCUITESSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C=C(\C)CC ZINC001157603218 963675144 /nfs/dbraw/zinc/67/51/44/963675144.db2.gz JXZFWWBNQRLXFR-OUKQBFOZSA-N 1 0 238.375 2.405 20 30 BEEDRO N#Cc1ccc(OC[C@H]2CCCC[NH2+]C2)cc1F ZINC000697060075 963685068 /nfs/dbraw/zinc/68/50/68/963685068.db2.gz AYTCEIMHUCKCIV-NSHDSACASA-N 1 0 248.301 2.466 20 30 BEEDRO CN(C)c1cc[nH+]c(NCCCCC#N)c1 ZINC001157641213 963688370 /nfs/dbraw/zinc/68/83/70/963688370.db2.gz QMRVWYUWMBZDEV-UHFFFAOYSA-N 1 0 218.304 2.253 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C(C)C ZINC001271963737 963709316 /nfs/dbraw/zinc/70/93/16/963709316.db2.gz XVOWEUWINVYFNZ-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2(CC#N)CCCC2)CCO1 ZINC001168104662 963720607 /nfs/dbraw/zinc/72/06/07/963720607.db2.gz MCMVHEBEDZKOOG-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO C[NH2+]CCN(c1nccc(C)c1C#N)C(C)(C)C ZINC001157826009 963741528 /nfs/dbraw/zinc/74/15/28/963741528.db2.gz YZSPVJCMWUOBBF-UHFFFAOYSA-N 1 0 246.358 2.086 20 30 BEEDRO C[C@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCO1 ZINC001168130135 963814451 /nfs/dbraw/zinc/81/44/51/963814451.db2.gz CPHBSOXJMSSRPE-YHQUGGNUSA-N 1 0 234.343 2.320 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001158611150 963892801 /nfs/dbraw/zinc/89/28/01/963892801.db2.gz QASORRWSCSIQLJ-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C[NH+](C)CCC(C)(C)Nc1cc(CC#N)ccn1 ZINC001158760731 963915889 /nfs/dbraw/zinc/91/58/89/963915889.db2.gz LDOAUTMTQJEFLB-UHFFFAOYSA-N 1 0 246.358 2.290 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)=C2CCC2)[C@H]1C ZINC001088559829 963970830 /nfs/dbraw/zinc/97/08/30/963970830.db2.gz JCHYFEDNZPEPJW-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CCC(=C)C ZINC001159020591 963976473 /nfs/dbraw/zinc/97/64/73/963976473.db2.gz BODLYLMONVGZLI-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]C[C@@H](F)CC ZINC001159032471 963980241 /nfs/dbraw/zinc/98/02/41/963980241.db2.gz HGAFSWHABUYVRK-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO CC(C)C[C@H]([NH2+]C1CCC(C)CC1)C(=O)NO ZINC001168209219 963984554 /nfs/dbraw/zinc/98/45/54/963984554.db2.gz NTBOGFDLRBJVFS-MCIGGMRASA-N 1 0 242.363 2.075 20 30 BEEDRO C=CCC[N@H+]1CC=C(CCNC(=O)C2CC2)CC1 ZINC001159052670 963986452 /nfs/dbraw/zinc/98/64/52/963986452.db2.gz KUIOBTVTMBRBGE-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=C(C)C[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168229943 964009220 /nfs/dbraw/zinc/00/92/20/964009220.db2.gz DOWKQAXSBYRGSI-ZDUSSCGKSA-N 1 0 217.312 2.328 20 30 BEEDRO C#CCCC[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168228783 964009487 /nfs/dbraw/zinc/00/94/87/964009487.db2.gz JYEZYFMDSQLPOH-CQSZACIVSA-N 1 0 229.323 2.165 20 30 BEEDRO Nc1cc[nH+]c(NCC#Cc2ccccc2)c1 ZINC001159371440 964069067 /nfs/dbraw/zinc/06/90/67/964069067.db2.gz WGKSCNDKDHUPQV-UHFFFAOYSA-N 1 0 223.279 2.127 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)c1ccc(C)cc1 ZINC001482643428 964108405 /nfs/dbraw/zinc/10/84/05/964108405.db2.gz AFDHMCRLYOMWBS-UHFFFAOYSA-N 1 0 246.354 2.185 20 30 BEEDRO C=CCCC(=O)NCCC1=CC[N@H+](CC=C)CC1 ZINC001159538838 964118992 /nfs/dbraw/zinc/11/89/92/964118992.db2.gz OGPQDZPZBYFNPO-UHFFFAOYSA-N 1 0 248.370 2.277 20 30 BEEDRO C=C(C)Nc1ccc(N2CC[NH2+]CC2)c(F)c1 ZINC001159536067 964121651 /nfs/dbraw/zinc/12/16/51/964121651.db2.gz SEVJWXOWWNXPOG-UHFFFAOYSA-N 1 0 235.306 2.181 20 30 BEEDRO N#Cc1cc(F)ccc1NC1=C[NH2+]CCC1 ZINC001159707140 964158663 /nfs/dbraw/zinc/15/86/63/964158663.db2.gz VXEYNUMUDMFJBF-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001482869002 964225255 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964992680 /nfs/dbraw/zinc/99/26/80/964992680.db2.gz AYKQQSUFFRSPSA-GFCCVEGCSA-N 1 0 244.342 2.015 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[N@H+](C)CC(=C)C ZINC001483379528 964998422 /nfs/dbraw/zinc/99/84/22/964998422.db2.gz XBBODMUPPLWENZ-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC#CC1CC1)C2 ZINC001224844063 965026820 /nfs/dbraw/zinc/02/68/20/965026820.db2.gz IWBFKQNATBJHHM-WDNDVIMCSA-N 1 0 219.328 2.042 20 30 BEEDRO Cc1cc(CC#N)ccc1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162558887 965047300 /nfs/dbraw/zinc/04/73/00/965047300.db2.gz FWRSKUMXPMVEPH-TZMCWYRMSA-N 1 0 243.354 2.471 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000698158307 965070601 /nfs/dbraw/zinc/07/06/01/965070601.db2.gz TZMAVXOUEIVIJT-UONOGXRCSA-N 1 0 243.391 2.165 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CC1(C)CC1 ZINC001162774953 965160421 /nfs/dbraw/zinc/16/04/21/965160421.db2.gz IBTDGLAGTPNXBU-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1nnc(C)s1 ZINC000698298780 965188411 /nfs/dbraw/zinc/18/84/11/965188411.db2.gz NNQPAEZIFXDXRF-VIFPVBQESA-N 1 0 211.334 2.291 20 30 BEEDRO C=C(C)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724023349 1169862848 /nfs/dbraw/zinc/86/28/48/1169862848.db2.gz NYPVPINFVGBKCG-SSDOTTSWSA-N 1 0 247.207 2.101 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC ZINC001272270932 965233407 /nfs/dbraw/zinc/23/34/07/965233407.db2.gz KQSQATHFKWVATB-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](COC)C(C)C ZINC000721735007 965247949 /nfs/dbraw/zinc/24/79/49/965247949.db2.gz TYYNASQQZNIMJH-OLZOCXBDSA-N 1 0 226.364 2.387 20 30 BEEDRO Cc1cc(NCC2([NH+](C)C)CCC2)ncc1C#N ZINC001163076640 965249147 /nfs/dbraw/zinc/24/91/47/965249147.db2.gz XYSGWKVWILJNMS-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NCC#N)nc1 ZINC001163182133 965284901 /nfs/dbraw/zinc/28/49/01/965284901.db2.gz FPELMISJZQSXGM-LBPRGKRZSA-N 1 0 244.342 2.391 20 30 BEEDRO Cc1cc(C#N)cc(N(C(C)C)C(C)(C)C[NH3+])n1 ZINC001163188882 965295971 /nfs/dbraw/zinc/29/59/71/965295971.db2.gz IFDLANVOUGYVQT-UHFFFAOYSA-N 1 0 246.358 2.214 20 30 BEEDRO C#CCNc1cc[nH+]cc1-c1ccccc1 ZINC001163368435 965375527 /nfs/dbraw/zinc/37/55/27/965375527.db2.gz YNPZNSZQCUMXAD-UHFFFAOYSA-N 1 0 208.264 2.216 20 30 BEEDRO C=C(C)CNc1cccc(C[NH+](C)C)n1 ZINC001163375949 965380464 /nfs/dbraw/zinc/38/04/64/965380464.db2.gz PAINJOAVTKCDMO-UHFFFAOYSA-N 1 0 205.305 2.131 20 30 BEEDRO Cc1ccc(C[N@@H+](CCCO)C(C)C)c(C#N)c1 ZINC001232966516 965445268 /nfs/dbraw/zinc/44/52/68/965445268.db2.gz OUGGHXCOCVOWEU-UHFFFAOYSA-N 1 0 246.354 2.460 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)C ZINC001272331228 965499404 /nfs/dbraw/zinc/49/94/04/965499404.db2.gz DMDZOEUVWAQLJU-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCC[NH2+]C1(CNC(C)=O)CC1 ZINC001483711212 965564062 /nfs/dbraw/zinc/56/40/62/965564062.db2.gz ILUBWKNEAIJQLA-UHFFFAOYSA-N 1 0 226.364 2.215 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1ccc(CS)cc1 ZINC001163782863 965570697 /nfs/dbraw/zinc/57/06/97/965570697.db2.gz SJSMUMFWRARDSV-JTQLQIEISA-N 1 0 224.373 2.478 20 30 BEEDRO Cc1nc(N[C@H](C)C[NH+](C)C)c(C#N)c(C)c1C ZINC001163778259 965585659 /nfs/dbraw/zinc/58/56/59/965585659.db2.gz FPYWDZHIRXEOAJ-SECBINFHSA-N 1 0 246.358 2.241 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C[C@H](C)CCC)CC1 ZINC001483720830 965595191 /nfs/dbraw/zinc/59/51/91/965595191.db2.gz GKMPCHVRKOFBBZ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)[C@@H](C)CCC)CC1 ZINC001483723766 965604193 /nfs/dbraw/zinc/60/41/93/965604193.db2.gz XKWRKUIHGGWLDT-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC001163860411 965610361 /nfs/dbraw/zinc/61/03/61/965610361.db2.gz DCXWDYUFWRUJAL-CYBMUJFWSA-N 1 0 245.398 2.418 20 30 BEEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@H+]2CCC ZINC001272453301 965614487 /nfs/dbraw/zinc/61/44/87/965614487.db2.gz NBFLVTBKKKIBAW-AWEZNQCLSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001163952891 965657910 /nfs/dbraw/zinc/65/79/10/965657910.db2.gz CXRPVJZTRYPUBE-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CCCCC ZINC001163957137 965657998 /nfs/dbraw/zinc/65/79/98/965657998.db2.gz CVMZFRRUJCRJIB-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCN1C[C@@]2(CC1=O)CCCC[N@@H+]2CC1CC1 ZINC001272481377 965669265 /nfs/dbraw/zinc/66/92/65/965669265.db2.gz BAZZUXQJJLFFKA-HNNXBMFYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)[C@@H](C)C=C ZINC001164234212 965810145 /nfs/dbraw/zinc/81/01/45/965810145.db2.gz SVKWBISULDPXTO-STQMWFEESA-N 1 0 238.375 2.117 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@@H]2CC=CC[C@H]2C)CCC[NH2+]1 ZINC001122403680 965841442 /nfs/dbraw/zinc/84/14/42/965841442.db2.gz JFECIIDWIZICQL-UMVBOHGHSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH2+]CC1CC1 ZINC001164324782 965846610 /nfs/dbraw/zinc/84/66/10/965846610.db2.gz ZZDBVZRXYSDHBV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)CC(=C)C ZINC001164346294 965853154 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/nfs/dbraw/zinc/08/39/53/966083953.db2.gz CTVJYSLHZFOKQL-FZMZJTMJSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001165409434 966097010 /nfs/dbraw/zinc/09/70/10/966097010.db2.gz KCKRDWUFLMQZNT-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CC[C@H](C)F ZINC001165531197 966116222 /nfs/dbraw/zinc/11/62/22/966116222.db2.gz RGLQBBIAOMXFOA-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000699883840 966162564 /nfs/dbraw/zinc/16/25/64/966162564.db2.gz GADAPRGTUYUGMW-HUUCEWRRSA-N 1 0 244.338 2.267 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000699883837 966162575 /nfs/dbraw/zinc/16/25/75/966162575.db2.gz GADAPRGTUYUGMW-GJZGRUSLSA-N 1 0 244.338 2.267 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH2+]CC(C)C ZINC001165934586 966202953 /nfs/dbraw/zinc/20/29/53/966202953.db2.gz YJBKEVIXTLZRAU-CQSZACIVSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001166024916 966229735 /nfs/dbraw/zinc/22/97/35/966229735.db2.gz HLOGZVKKONWLJE-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO CCN(CCC#N)c1cc2[nH]ccc2c[nH+]1 ZINC001166592625 966315043 /nfs/dbraw/zinc/31/50/43/966315043.db2.gz GCDAEEMGLPNFHP-UHFFFAOYSA-N 1 0 214.272 2.303 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](CC)CCCC ZINC001123962712 966329433 /nfs/dbraw/zinc/32/94/33/966329433.db2.gz HVLXPDMTMKPCLR-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[N@H+]1CC(C)(C)CC[C@H]1CNC(C)=O ZINC001089594247 966360989 /nfs/dbraw/zinc/36/09/89/966360989.db2.gz ZZOJVUQXMJYPNE-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CN(C)c1cc[nH+]c(N2CCC[C@H](CC#N)C2)c1 ZINC001166743717 966391974 /nfs/dbraw/zinc/39/19/74/966391974.db2.gz XQBUIQLYOJPVLE-GFCCVEGCSA-N 1 0 244.342 2.278 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@@H](C)CCC)CCC1 ZINC001484628769 966499691 /nfs/dbraw/zinc/49/96/91/966499691.db2.gz YVQPELPOLGVMLQ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC)CC1 ZINC001484704816 966505937 /nfs/dbraw/zinc/50/59/37/966505937.db2.gz UAJXKBRMPZJKGP-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C1(C)CCN(C(=O)CC(C)C)CC1 ZINC001484911419 966524289 /nfs/dbraw/zinc/52/42/89/966524289.db2.gz NHOXFWNILGYEQW-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCC)C(C)(C)C1 ZINC001484929902 966525505 /nfs/dbraw/zinc/52/55/05/966525505.db2.gz HGGMCSNDAXYQTG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C)CC ZINC001485034927 966533660 /nfs/dbraw/zinc/53/36/60/966533660.db2.gz AOCWCFPBHRONSK-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)C ZINC001485116634 966546926 /nfs/dbraw/zinc/54/69/26/966546926.db2.gz STKHYNWSUOWTJM-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C#CCCCCC(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C ZINC001485140404 966556376 /nfs/dbraw/zinc/55/63/76/966556376.db2.gz QPIBMYRNMMRASE-QWHCGFSZSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(C)CC ZINC001485307530 966588769 /nfs/dbraw/zinc/58/87/69/966588769.db2.gz UGCNGGBZVUZLNX-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(Br)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182330015 966634210 /nfs/dbraw/zinc/63/42/10/966634210.db2.gz UYRALWBTXZOLCF-NXEZZACHSA-N 1 0 248.164 2.442 20 30 BEEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)CC)C1 ZINC001485492693 966605476 /nfs/dbraw/zinc/60/54/76/966605476.db2.gz ZFYTVYIGZZZDEE-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)CC)C(C)(C)C1 ZINC001485558033 966613319 /nfs/dbraw/zinc/61/33/19/966613319.db2.gz ASUVJJQOIDABQH-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N1CC2(C1)CCC[N@H+](CC=C)C2 ZINC001485660894 966618471 /nfs/dbraw/zinc/61/84/71/966618471.db2.gz IWIGMYMYEUXGKP-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)CCC)C1 ZINC001485673291 966620535 /nfs/dbraw/zinc/62/05/35/966620535.db2.gz OFOHXQUEYNJLES-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1c(F)cccc1CC ZINC001203536164 966670742 /nfs/dbraw/zinc/67/07/42/966670742.db2.gz GVHXRXJCDPTSHS-ZDUSSCGKSA-N 1 0 249.329 2.252 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]Cc1ccc(C)cc1 ZINC001124631819 966670644 /nfs/dbraw/zinc/67/06/44/966670644.db2.gz SDROERAXCYXDEJ-UHFFFAOYSA-N 1 0 246.354 2.167 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]CCCC(C)(C)C ZINC001124640983 966671303 /nfs/dbraw/zinc/67/13/03/966671303.db2.gz XSPFJPVLOQVQCC-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@@H]2C)C1 ZINC001203666032 966718781 /nfs/dbraw/zinc/71/87/81/966718781.db2.gz WGIPTFCXQMLDJT-SOUVJXGZSA-N 1 0 248.414 2.498 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(Cl)c1C#N ZINC001205182554 966723052 /nfs/dbraw/zinc/72/30/52/966723052.db2.gz AWTHPMJCEXXYGM-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001203757986 966774182 /nfs/dbraw/zinc/77/41/82/966774182.db2.gz XXHNSAZIOQFLDF-HNNXBMFYSA-N 1 0 242.322 2.313 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001203757096 966774208 /nfs/dbraw/zinc/77/42/08/966774208.db2.gz IIGGTDZZMHCBGU-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@]1(C)O ZINC001203756943 966774313 /nfs/dbraw/zinc/77/43/13/966774313.db2.gz FQPNJPZTZGOQCG-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)c1 ZINC001203760514 966776222 /nfs/dbraw/zinc/77/62/22/966776222.db2.gz LEPABHHCTPBHKT-MELADBBJSA-N 1 0 230.286 2.491 20 30 BEEDRO CCc1cc(C[NH+]2CC(COC)C2)ccc1C#N ZINC001238766569 966780928 /nfs/dbraw/zinc/78/09/28/966780928.db2.gz PUQAYZXLIZXBFY-UHFFFAOYSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C2=CCC[NH2+]CC2)c(C#N)c1 ZINC001238945621 966797572 /nfs/dbraw/zinc/79/75/72/966797572.db2.gz SDTUWBPOILCIAJ-UHFFFAOYSA-N 1 0 223.279 2.197 20 30 BEEDRO Cc1cccc(C[NH2+]CC2(C#N)CCOCC2)c1 ZINC001204027291 966857520 /nfs/dbraw/zinc/85/75/20/966857520.db2.gz DJDGAZWSFKAQJM-UHFFFAOYSA-N 1 0 244.338 2.405 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cs1 ZINC001204119377 966893287 /nfs/dbraw/zinc/89/32/87/966893287.db2.gz BWXVOJSIRKHFMF-MVWJERBFSA-N 1 0 234.324 2.029 20 30 BEEDRO CCC1(Nc2ccc(CC#N)cc2C)C[NH2+]C1 ZINC001168582486 966922443 /nfs/dbraw/zinc/92/24/43/966922443.db2.gz RDBUXCHMNSRWAH-UHFFFAOYSA-N 1 0 229.327 2.225 20 30 BEEDRO CCC1(Nc2cccc3[nH]c(C#N)cc32)C[NH2+]C1 ZINC001168582945 966927947 /nfs/dbraw/zinc/92/79/47/966927947.db2.gz FCYATMNXUDFQID-UHFFFAOYSA-N 1 0 240.310 2.203 20 30 BEEDRO C=C(C)CC[N@H+](C)CCNC(=O)CC1(C)CC1 ZINC001492346732 1169897544 /nfs/dbraw/zinc/89/75/44/1169897544.db2.gz UTJDFOOTIYRYMU-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCOc1ccc(C[NH+]2CCC2)cc1 ZINC001204294203 966964463 /nfs/dbraw/zinc/96/44/63/966964463.db2.gz OMPCZAJEYHMELD-UHFFFAOYSA-N 1 0 203.285 2.457 20 30 BEEDRO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)CC ZINC001168617510 967065488 /nfs/dbraw/zinc/06/54/88/967065488.db2.gz LJWATMHLMSOWJU-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@]1(C)CC=CCC1 ZINC001128114153 967210574 /nfs/dbraw/zinc/21/05/74/967210574.db2.gz WGOTWJBGPOFSTF-CQSZACIVSA-N 1 0 236.359 2.015 20 30 BEEDRO CCCCCCCCN1C[C@H]([NH3+])[C@@H](F)C1 ZINC001204885615 967211469 /nfs/dbraw/zinc/21/14/69/967211469.db2.gz ZZOPOWPYUGCBFC-RYUDHWBXSA-N 1 0 216.344 2.328 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001128114152 967213464 /nfs/dbraw/zinc/21/34/64/967213464.db2.gz WGOTWJBGPOFSTF-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCCCCCN1C[C@H]([NH3+])[C@@H](F)C1 ZINC001204890196 967220429 /nfs/dbraw/zinc/22/04/29/967220429.db2.gz GJSALABHGZLSLU-RYUDHWBXSA-N 1 0 214.328 2.104 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001205037191 967237092 /nfs/dbraw/zinc/23/70/92/967237092.db2.gz KRQWQAXMSOZINB-CHWSQXEVSA-N 1 0 232.327 2.420 20 30 BEEDRO CCN1C[C@H](C)[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921832942 967280241 /nfs/dbraw/zinc/28/02/41/967280241.db2.gz QMLSIMVQOARVPV-GXFFZTMASA-N 1 0 249.383 2.050 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]CCC(=C)C ZINC001485853344 967297390 /nfs/dbraw/zinc/29/73/90/967297390.db2.gz LHGBUFFUWVUVDD-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO Cc1cc(N)[nH+]cc1Cc1ccccc1C#N ZINC001250046461 967300798 /nfs/dbraw/zinc/30/07/98/967300798.db2.gz VESMSPPGQSFVQI-UHFFFAOYSA-N 1 0 223.279 2.435 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(F)ccc1C#N ZINC001205082771 967332618 /nfs/dbraw/zinc/33/26/18/967332618.db2.gz JAZBGTUQLHQNKN-HZMBPMFUSA-N 1 0 247.317 2.009 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 ZINC001486102802 967349894 /nfs/dbraw/zinc/34/98/94/967349894.db2.gz WZICSRAERXLEIQ-NEPJUHHUSA-N 1 0 248.326 2.048 20 30 BEEDRO N#Cc1ccc(F)cc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205116568 967363980 /nfs/dbraw/zinc/36/39/80/967363980.db2.gz CUUPGJSDHCTINM-CQSZACIVSA-N 1 0 247.317 2.011 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168693024 967396203 /nfs/dbraw/zinc/39/62/03/967396203.db2.gz BSRXOVSXMNXYRZ-MWLCHTKSSA-N 1 0 219.715 2.419 20 30 BEEDRO C=CCc1cccc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205182619 967412384 /nfs/dbraw/zinc/41/23/84/967412384.db2.gz DDNHVKALTOYIEB-BXUZGUMPSA-N 1 0 246.354 2.042 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(Cl)cccc1C#N ZINC001205189931 967415385 /nfs/dbraw/zinc/41/53/85/967415385.db2.gz IHAPCUNYXGHFDX-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO C=CCC[N@H+](CCNC(=O)c1ccoc1)C1CC1 ZINC001317547510 1169908502 /nfs/dbraw/zinc/90/85/02/1169908502.db2.gz HURZGIRAIMHNHT-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(Cl)CN(CCNC(=O)CCC)C1CC1 ZINC001317545692 1169906978 /nfs/dbraw/zinc/90/69/78/1169906978.db2.gz VWWCZBXCKUHGJW-UHFFFAOYSA-N 1 0 244.766 2.120 20 30 BEEDRO C=C(C)Cc1cnn(CC[NH+]2CCCC2)c1 ZINC001250244132 967555137 /nfs/dbraw/zinc/55/51/37/967555137.db2.gz KZBWPPDWWVJRLI-UHFFFAOYSA-N 1 0 219.332 2.098 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(C)cc(OC)c1 ZINC001143156083 967670274 /nfs/dbraw/zinc/67/02/74/967670274.db2.gz DABZLENIAYSDAN-UHFFFAOYSA-N 1 0 203.285 2.069 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCCN(CC)C1 ZINC001205551235 967688766 /nfs/dbraw/zinc/68/87/66/967688766.db2.gz OWKURDJOWINGSF-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C[N@@H+]1CCC[C@@H](OCc2cccc(C#N)c2)C1 ZINC001205589859 967711859 /nfs/dbraw/zinc/71/18/59/967711859.db2.gz QDJORTKHYVBGLR-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C[NH+](C)C1CCC(OCCCC#N)CC1 ZINC001205632395 967736882 /nfs/dbraw/zinc/73/68/82/967736882.db2.gz WGFIQSBXPJHAQH-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C[N@@H+]1CCC[C@H](OCCCCC#N)CC1 ZINC001205664731 967756941 /nfs/dbraw/zinc/75/69/41/967756941.db2.gz SATAFNXZADNMHT-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001205713781 967797504 /nfs/dbraw/zinc/79/75/04/967797504.db2.gz IKRKWZJTPKNBOT-LLVKDONJSA-N 1 0 233.311 2.211 20 30 BEEDRO C#CCCCNc1ccc(C2([NH3+])CC2)cc1 ZINC001162449251 967840258 /nfs/dbraw/zinc/84/02/58/967840258.db2.gz XLXGKHNUVXUKOW-UHFFFAOYSA-N 1 0 214.312 2.460 20 30 BEEDRO C[C@H]1CN(Cc2cc(F)cc(C#N)c2)CCCO1 ZINC000163605117 967854640 /nfs/dbraw/zinc/85/46/40/967854640.db2.gz QUUNYBYDSHUUSI-NSHDSACASA-N 1 0 248.301 2.308 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccc(C#N)cn2)c1 ZINC001250463509 967888250 /nfs/dbraw/zinc/88/82/50/967888250.db2.gz CJJNODGGCHHAES-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC)C1 ZINC001206047036 968013005 /nfs/dbraw/zinc/01/30/05/968013005.db2.gz UAEWRYAPGOPFOD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CNc1ccc(OCCC[NH+](C)C)nc1 ZINC001163382048 968029507 /nfs/dbraw/zinc/02/95/07/968029507.db2.gz RJTJSSSNNBDBED-UHFFFAOYSA-N 1 0 249.358 2.400 20 30 BEEDRO C=CCNCC[N@H+]1CCC[C@H](C)[C@@H](C)C1 ZINC001206110418 968068813 /nfs/dbraw/zinc/06/88/13/968068813.db2.gz XCMSSGGVNJGOTK-STQMWFEESA-N 1 0 210.365 2.130 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1COC[C@H]1OC ZINC001206204465 968138202 /nfs/dbraw/zinc/13/82/02/968138202.db2.gz JVXYPBHVVIGFNY-RWMBFGLXSA-N 1 0 227.348 2.125 20 30 BEEDRO COc1nc(C[NH2+]CC(C)(C)CC#N)ccc1C ZINC001206224038 968152139 /nfs/dbraw/zinc/15/21/39/968152139.db2.gz JPWWEBUBCRQWTD-UHFFFAOYSA-N 1 0 247.342 2.428 20 30 BEEDRO C=C[C@@H](C#CC(C)(C)C)OCC[NH+](C)C ZINC001206285052 968178255 /nfs/dbraw/zinc/17/82/55/968178255.db2.gz BIVMQXNQJARJLL-LBPRGKRZSA-N 1 0 209.333 2.169 20 30 BEEDRO C=C[C@H](C#CC(C)(C)C)OCC[NH+](C)C ZINC001206285049 968193884 /nfs/dbraw/zinc/19/38/84/968193884.db2.gz BIVMQXNQJARJLL-GFCCVEGCSA-N 1 0 209.333 2.169 20 30 BEEDRO CC#CC[C@@H](CC)OCC[NH+]1CCCC1 ZINC001206309934 968207117 /nfs/dbraw/zinc/20/71/17/968207117.db2.gz XEXRSAARVGZNLE-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO N#Cc1ncc(Nc2cc[nH+]c(N)c2)cc1Cl ZINC001206535671 968364628 /nfs/dbraw/zinc/36/46/28/968364628.db2.gz MXSGXJFOUJLLIL-UHFFFAOYSA-N 1 0 245.673 2.327 20 30 BEEDRO COc1ccc(Nc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001206550317 968374670 /nfs/dbraw/zinc/37/46/70/968374670.db2.gz ALKLRUKNHNMUHF-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@H](C[NH3+])C1 ZINC001206606225 968414997 /nfs/dbraw/zinc/41/49/97/968414997.db2.gz HICFENGDFIRBBT-CYBMUJFWSA-N 1 0 210.365 2.404 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@@H](O)COCC)c1ccccc1 ZINC001252052630 968464789 /nfs/dbraw/zinc/46/47/89/968464789.db2.gz SUEJLRJZKYNMFZ-HUUCEWRRSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccoc1 ZINC001085133379 968544497 /nfs/dbraw/zinc/54/44/97/968544497.db2.gz VNWOKZJNJVSENY-CHWSQXEVSA-N 1 0 248.326 2.096 20 30 BEEDRO COc1cc(CC[NH2+]C[C@H](C)CCC#N)ccn1 ZINC001207059133 968589457 /nfs/dbraw/zinc/58/94/57/968589457.db2.gz UDEXLYKBEPLCBU-GFCCVEGCSA-N 1 0 247.342 2.162 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C(C)(C)CO ZINC001252119918 968606796 /nfs/dbraw/zinc/60/67/96/968606796.db2.gz IZAMJQZVMJKDFN-CYBMUJFWSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C1CC(O)C1 ZINC001252121016 968607078 /nfs/dbraw/zinc/60/70/78/968607078.db2.gz BBLHBSRRVYXOJA-MOKVOYLWSA-N 1 0 243.391 2.211 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)CCO ZINC001252135721 968608878 /nfs/dbraw/zinc/60/88/78/968608878.db2.gz HYQDZBNDACAWDB-KBPBESRZSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H](O)CF ZINC001252139860 968609104 /nfs/dbraw/zinc/60/91/04/968609104.db2.gz SWHKIYZVKZPRPA-STQMWFEESA-N 1 0 249.370 2.018 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccc(=O)[nH]1 ZINC001207074107 968610427 /nfs/dbraw/zinc/61/04/27/968610427.db2.gz UPNRJLAAQZWWFP-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C=C[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC001252371295 968650784 /nfs/dbraw/zinc/65/07/84/968650784.db2.gz IPYCDGBAGAEWMT-GFCCVEGCSA-N 1 0 205.301 2.274 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)(C)C ZINC001085401965 968692765 /nfs/dbraw/zinc/69/27/65/968692765.db2.gz NFZUWPAGDKUJAH-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](C)CCCCCCC ZINC001252465415 968722069 /nfs/dbraw/zinc/72/20/69/968722069.db2.gz GSCBTOHWVFBLFX-CQSZACIVSA-N 1 0 243.391 2.452 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccco1 ZINC001085458066 968728250 /nfs/dbraw/zinc/72/82/50/968728250.db2.gz ZAWQXFKZVMORDL-LBPRGKRZSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC001252485262 968741915 /nfs/dbraw/zinc/74/19/15/968741915.db2.gz IWCMWPHDSRPGFD-DZGCQCFKSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC001252485275 968742421 /nfs/dbraw/zinc/74/24/21/968742421.db2.gz JALRHEYQGDHERJ-CQSZACIVSA-N 1 0 249.354 2.075 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC001252485263 968743419 /nfs/dbraw/zinc/74/34/19/968743419.db2.gz IWCMWPHDSRPGFD-HIFRSBDPSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C[C@H](CC)CCCC ZINC001252486659 968743814 /nfs/dbraw/zinc/74/38/14/968743814.db2.gz GDKNFCBBVVMONO-ZIAGYGMSSA-N 1 0 243.391 2.356 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CCCC)C1 ZINC001207372139 968744889 /nfs/dbraw/zinc/74/48/89/968744889.db2.gz BGLPGTHLAHSFIF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC001252492073 968751036 /nfs/dbraw/zinc/75/10/36/968751036.db2.gz AMQVLGXGRULCAX-QWHCGFSZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001252541845 968774808 /nfs/dbraw/zinc/77/48/08/968774808.db2.gz UTQWZABMNPJTFW-GWCFXTLKSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@](C)(O)CNc1cc[nH+]c(N2CCCC2)c1 ZINC001252546089 968780676 /nfs/dbraw/zinc/78/06/76/968780676.db2.gz VDCAJDGABBAYOV-AWEZNQCLSA-N 1 0 247.342 2.031 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001085541815 968788515 /nfs/dbraw/zinc/78/85/15/968788515.db2.gz IMOGTCUUOWQKAH-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC001252552173 968790900 /nfs/dbraw/zinc/79/09/00/968790900.db2.gz UOLHRPLUZDGMDR-CQSZACIVSA-N 1 0 235.327 2.064 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001252550862 968792961 /nfs/dbraw/zinc/79/29/61/968792961.db2.gz PEOZUXZNBLDUCV-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCc2ccsc2C1 ZINC001252555092 968797255 /nfs/dbraw/zinc/79/72/55/968797255.db2.gz ORWSYYAIEXHIIP-LBPRGKRZSA-N 1 0 223.341 2.043 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001252557715 968800383 /nfs/dbraw/zinc/80/03/83/968800383.db2.gz KCLYACPEEWPJDW-GJZGRUSLSA-N 1 0 246.354 2.464 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC001252558414 968802898 /nfs/dbraw/zinc/80/28/98/968802898.db2.gz WBZCYTGKZIHPIT-OAHLLOKOSA-N 1 0 231.339 2.290 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCc2cc(C)ccc2C1 ZINC001252558413 968803356 /nfs/dbraw/zinc/80/33/56/968803356.db2.gz WBZCYTGKZIHPIT-HNNXBMFYSA-N 1 0 231.339 2.290 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](CC)Cc1ccc(OC)cc1 ZINC001252558843 968803367 /nfs/dbraw/zinc/80/33/67/968803367.db2.gz ORWMKSYPNQMWJO-OAHLLOKOSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC001252561275 968808625 /nfs/dbraw/zinc/80/86/25/968808625.db2.gz ZGFIZECWKYPLNG-CYBMUJFWSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001207569578 968819574 /nfs/dbraw/zinc/81/95/74/968819574.db2.gz IWTSBZCIASIKCK-FFXRNRBCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(CC)cc1 ZINC001252570674 968820418 /nfs/dbraw/zinc/82/04/18/968820418.db2.gz ALHQUTKVBHDAOM-AWEZNQCLSA-N 1 0 219.328 2.276 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829180207 968821129 /nfs/dbraw/zinc/82/11/29/968821129.db2.gz SITZXLSTQKHIDO-NSHDSACASA-N 1 0 226.364 2.455 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2ccccc21 ZINC001252572869 968821969 /nfs/dbraw/zinc/82/19/69/968821969.db2.gz VTNQSIBXKOXRFP-KBPBESRZSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCc1ccc(OC)cc1 ZINC001252571698 968822363 /nfs/dbraw/zinc/82/23/63/968822363.db2.gz JHRZSDJVTQPGDW-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1F ZINC001252572927 968823014 /nfs/dbraw/zinc/82/30/14/968823014.db2.gz WMCXHIYHKOOWHT-GWCFXTLKSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC001252574028 968824892 /nfs/dbraw/zinc/82/48/92/968824892.db2.gz KXUIHEJUBSJIEF-HZSPNIEDSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC001252574035 968825041 /nfs/dbraw/zinc/82/50/41/968825041.db2.gz KXUIHEJUBSJIEF-RDBSUJKOSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc2ccccc2cn1 ZINC001252574354 968825811 /nfs/dbraw/zinc/82/58/11/968825811.db2.gz NYHYXZDXGPJNOQ-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(C)(C)CCO ZINC000829178358 968826314 /nfs/dbraw/zinc/82/63/14/968826314.db2.gz DNKTUXCHGZFMML-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCOC(F)(F)F ZINC000829180829 968826437 /nfs/dbraw/zinc/82/64/37/968826437.db2.gz YKKQBICQMMHLIM-QMMMGPOBSA-N 1 0 238.253 2.441 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC1CCCCCC1 ZINC001252576228 968827484 /nfs/dbraw/zinc/82/74/84/968827484.db2.gz HZUQWWLPUZNCSR-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001252577826 968830825 /nfs/dbraw/zinc/83/08/25/968830825.db2.gz MSZKQDMNFKVQMT-KBPBESRZSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001252578116 968830947 /nfs/dbraw/zinc/83/09/47/968830947.db2.gz PZAJZEASWAWADD-AWEZNQCLSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001252578607 968831201 /nfs/dbraw/zinc/83/12/01/968831201.db2.gz RUUPCHPJANLPMN-CQSZACIVSA-N 1 0 242.322 2.074 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)c1cccc(C)n1 ZINC001252580863 968832982 /nfs/dbraw/zinc/83/29/82/968832982.db2.gz VFIVEXSRQSODTL-HNNXBMFYSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC001252580789 968833513 /nfs/dbraw/zinc/83/35/13/968833513.db2.gz UBPARJBXJFKDCF-HNNXBMFYSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC001252580538 968833794 /nfs/dbraw/zinc/83/37/94/968833794.db2.gz RZGPURXHHFKWEA-AWEZNQCLSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2ccccc2F)CC1 ZINC001252583434 968837269 /nfs/dbraw/zinc/83/72/69/968837269.db2.gz KRKYEDSUPMBJCM-AWEZNQCLSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)CC(F)(F)F ZINC001252583694 968837843 /nfs/dbraw/zinc/83/78/43/968837843.db2.gz QGAIHZABBIVAGV-JTQLQIEISA-N 1 0 239.281 2.492 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccc(C)cn1)C1CC1 ZINC001252583552 968837999 /nfs/dbraw/zinc/83/79/99/968837999.db2.gz NDRQZNIIUCTCRM-HUUCEWRRSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCCCC1(C)C ZINC001252583849 968838520 /nfs/dbraw/zinc/83/85/20/968838520.db2.gz UMWDBSYGMIFNDB-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@H]([NH2+]C[C@@](C)(O)C=C)c1ccccc1 ZINC001252585678 968839857 /nfs/dbraw/zinc/83/98/57/968839857.db2.gz RPZRHWVMSPWFGP-KGLIPLIRSA-N 1 0 217.312 2.440 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCCOc1ccccc1 ZINC001252585940 968840138 /nfs/dbraw/zinc/84/01/38/968840138.db2.gz WDLFVRWBZRHVNA-HNNXBMFYSA-N 1 0 249.354 2.372 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1cccs1 ZINC001252586479 968840587 /nfs/dbraw/zinc/84/05/87/968840587.db2.gz IQXJBHFFKCOAMA-NSHDSACASA-N 1 0 225.357 2.207 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccccc1F ZINC001252587886 968843178 /nfs/dbraw/zinc/84/31/78/968843178.db2.gz YDUNJDFGLLZLID-GFCCVEGCSA-N 1 0 223.291 2.242 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1nc2ccccc2o1 ZINC001252589075 968844609 /nfs/dbraw/zinc/84/46/09/968844609.db2.gz JMOPFUYKHLKMJD-LLVKDONJSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CCC#N)CCCC ZINC001252599088 968856016 /nfs/dbraw/zinc/85/60/16/968856016.db2.gz WNKQWAMMKZHMBT-ZDUSSCGKSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@@H](O)CNc1ccc(C[NH+](C)C)cc1 ZINC001252605476 968862897 /nfs/dbraw/zinc/86/28/97/968862897.db2.gz OFYSMQFBOIMHCR-OAHLLOKOSA-N 1 0 248.370 2.487 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001207718533 968867485 /nfs/dbraw/zinc/86/74/85/968867485.db2.gz ROTBBBGOZZTXSJ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001252612675 968867468 /nfs/dbraw/zinc/86/74/68/968867468.db2.gz QAILASKGFMLVNE-WDEREUQCSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(F)ccc1F ZINC001252611614 968868367 /nfs/dbraw/zinc/86/83/67/968868367.db2.gz CLDRWMLUAPJXBE-LBPRGKRZSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001207729356 968869510 /nfs/dbraw/zinc/86/95/10/968869510.db2.gz URMYSVLLDNFRGK-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCN(C(C)C)C(C)C ZINC001252612446 968869727 /nfs/dbraw/zinc/86/97/27/968869727.db2.gz MVFUOWUONSEXNS-AWEZNQCLSA-N 1 0 242.407 2.022 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC001252612211 968869879 /nfs/dbraw/zinc/86/98/79/968869879.db2.gz KILYLJCZGXCVCM-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]([S@@](C)=O)C1 ZINC001207732823 968871125 /nfs/dbraw/zinc/87/11/25/968871125.db2.gz PQWKWXKUNSAKLC-OZTPJHRESA-N 1 0 229.389 2.230 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC001252615064 968873190 /nfs/dbraw/zinc/87/31/90/968873190.db2.gz ULOQDEFTJVPEKR-PWSUYJOCSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(O)cc1 ZINC001252616133 968875474 /nfs/dbraw/zinc/87/54/74/968875474.db2.gz KLVWGCVQIWVEAN-SMDDNHRTSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)n1 ZINC001252618359 968877627 /nfs/dbraw/zinc/87/76/27/968877627.db2.gz SVCSHGCXUGHRMD-QWHCGFSZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](NC(=O)C(C)C)C1CC1 ZINC001276544014 968877893 /nfs/dbraw/zinc/87/78/93/968877893.db2.gz KWEXCBOPJKNARX-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCc2ncccc21 ZINC001252617572 968877914 /nfs/dbraw/zinc/87/79/14/968877914.db2.gz FVMMKICOCDEXOQ-SWLSCSKDSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252620573 968879813 /nfs/dbraw/zinc/87/98/13/968879813.db2.gz XCCXQERVEGRFLM-ZDUSSCGKSA-N 1 0 249.354 2.426 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(COC)c1 ZINC001252620384 968880941 /nfs/dbraw/zinc/88/09/41/968880941.db2.gz UYVDBIFEKBKLNT-OAHLLOKOSA-N 1 0 249.354 2.250 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001207777394 968881583 /nfs/dbraw/zinc/88/15/83/968881583.db2.gz OXSBFMXAKAGTGO-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1CC2(CCC2)C1 ZINC001252621434 968882217 /nfs/dbraw/zinc/88/22/17/968882217.db2.gz BXHDMIJDEBVNEP-LBPRGKRZSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)Cc1ccccn1 ZINC001252623618 968885511 /nfs/dbraw/zinc/88/55/11/968885511.db2.gz NJLBEDLIKSPHHP-CQSZACIVSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1CCSCC1 ZINC001252624171 968886166 /nfs/dbraw/zinc/88/61/66/968886166.db2.gz YZKZNOMCZHWFCW-LBPRGKRZSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CC(CC)CC ZINC001155587069 969018088 /nfs/dbraw/zinc/01/80/88/969018088.db2.gz WFOGCYAYEMTFGE-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CC(C)(C)C#CC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001252864937 969038850 /nfs/dbraw/zinc/03/88/50/969038850.db2.gz TXPPBXVSINMMLL-AWEZNQCLSA-N 1 0 249.329 2.498 20 30 BEEDRO CC[N@H+](CCC#N)CC[C@@H](C)SC ZINC001208140900 969059149 /nfs/dbraw/zinc/05/91/49/969059149.db2.gz IEYJLRRGFNWGGG-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC001208168721 969100757 /nfs/dbraw/zinc/10/07/57/969100757.db2.gz KYYWNZNCGDSQNN-ZIAGYGMSSA-N 1 0 221.344 2.356 20 30 BEEDRO C[NH+](C)CC1(CN2CC[C@](C)(C#N)C2)CCCC1 ZINC001208186986 969115881 /nfs/dbraw/zinc/11/58/81/969115881.db2.gz DVHPXLNRGVHPHG-CQSZACIVSA-N 1 0 249.402 2.344 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)CC(C)=O ZINC001253233796 969119322 /nfs/dbraw/zinc/11/93/22/969119322.db2.gz NQFVRIYYXSTJJR-CQSZACIVSA-N 1 0 241.375 2.395 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCOC ZINC001253228713 969120170 /nfs/dbraw/zinc/12/01/70/969120170.db2.gz WPVCVWUNGZEREW-CYBMUJFWSA-N 1 0 229.364 2.110 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@H](O)CC ZINC001253247385 969120679 /nfs/dbraw/zinc/12/06/79/969120679.db2.gz ISYBTXCPEFNZNV-KBPBESRZSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C=C)CO ZINC001253251142 969122155 /nfs/dbraw/zinc/12/21/55/969122155.db2.gz GWBVAKKAQPSWIW-UONOGXRCSA-N 1 0 241.375 2.010 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)CCOCc1ccccc1 ZINC001253273797 969127241 /nfs/dbraw/zinc/12/72/41/969127241.db2.gz AQMSGFKCFGEJML-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H](C)Cc1ccc2c(c1)OCO2 ZINC001208220465 969130980 /nfs/dbraw/zinc/13/09/80/969130980.db2.gz IYECHYRIEHXBHM-LBPRGKRZSA-N 1 0 245.322 2.159 20 30 BEEDRO CN1CCC[C@H](C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607970 969163027 /nfs/dbraw/zinc/16/30/27/969163027.db2.gz DUQDUGJIOFHFMI-ZQDZILKHSA-N 1 0 247.386 2.095 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCC ZINC001168820656 969226418 /nfs/dbraw/zinc/22/64/18/969226418.db2.gz JQVFBYRYGNJIAN-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(Oc2ccccc2)CC1 ZINC001253571434 969242861 /nfs/dbraw/zinc/24/28/61/969242861.db2.gz GZSYABBVQPOMPQ-ZDUSSCGKSA-N 1 0 247.338 2.077 20 30 BEEDRO CC1C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001208844473 969247308 /nfs/dbraw/zinc/24/73/08/969247308.db2.gz IVRWGPMHDDEJJC-UHFFFAOYSA-N 1 0 214.312 2.443 20 30 BEEDRO COc1ccc(NC2=CC[N@H+](C)CC2)c(C#N)c1 ZINC001208839170 969247669 /nfs/dbraw/zinc/24/76/69/969247669.db2.gz YCQNTGKAQUNNHG-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO N#Cc1cccc(CCC[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001208851702 969253552 /nfs/dbraw/zinc/25/35/52/969253552.db2.gz JHBVIAMIZMPYIH-GASCZTMLSA-N 1 0 226.323 2.443 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC001253581272 969255660 /nfs/dbraw/zinc/25/56/60/969255660.db2.gz CEHQWMKNKSMZBA-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC001253580949 969256095 /nfs/dbraw/zinc/25/60/95/969256095.db2.gz BCRLIHUGNAIYEZ-JSGCOSHPSA-N 1 0 235.302 2.162 20 30 BEEDRO C[C@@H]1C[N@H+](CCCc2cccc(C#N)c2)CCO1 ZINC001208843961 969256690 /nfs/dbraw/zinc/25/66/90/969256690.db2.gz CYOHLYDAPQIIFK-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CCC)Cc1ccccc1 ZINC001253583026 969260861 /nfs/dbraw/zinc/26/08/61/969260861.db2.gz XNGYWJIOMWIPEX-CQSZACIVSA-N 1 0 219.328 2.446 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC001253586928 969271717 /nfs/dbraw/zinc/27/17/17/969271717.db2.gz VHLKWFOGKDTIKH-OCCSQVGLSA-N 1 0 249.354 2.105 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC001253597820 969288267 /nfs/dbraw/zinc/28/82/67/969288267.db2.gz JVUMPEPULYCKAF-CHWSQXEVSA-N 1 0 205.301 2.274 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1c[nH]c2ccc(C)cc12 ZINC001253598150 969290983 /nfs/dbraw/zinc/29/09/83/969290983.db2.gz PEZNMKNOQPNALN-CYBMUJFWSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC001253610506 969313067 /nfs/dbraw/zinc/31/30/67/969313067.db2.gz FFCNLVQUAONTSA-QMMMGPOBSA-N 1 0 231.748 2.081 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(F)c1Cl ZINC001253602234 969297047 /nfs/dbraw/zinc/29/70/47/969297047.db2.gz FDNLUJVLEWDCET-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc2ccccc2c1 ZINC001253601669 969297326 /nfs/dbraw/zinc/29/73/26/969297326.db2.gz UPIRSSUZHTYCGH-OAHLLOKOSA-N 1 0 227.307 2.476 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC001253606297 969304381 /nfs/dbraw/zinc/30/43/81/969304381.db2.gz FJGAFQWDGLRZOH-AWEZNQCLSA-N 1 0 231.339 2.146 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(OC)cc1 ZINC001253607331 969304522 /nfs/dbraw/zinc/30/45/22/969304522.db2.gz UYWVJJOILYOQDL-ZDUSSCGKSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2cccc(OC)c2)CCC1 ZINC001253606679 969306105 /nfs/dbraw/zinc/30/61/05/969306105.db2.gz MQFIDPSIJUCQIS-CYBMUJFWSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(C(C)=O)cc1 ZINC001253608219 969307016 /nfs/dbraw/zinc/30/70/16/969307016.db2.gz JZRDATXXLQEBJF-HZMBPMFUSA-N 1 0 233.311 2.087 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(Cc2cccc(F)c2)CC1 ZINC001253608718 969307606 /nfs/dbraw/zinc/30/76/06/969307606.db2.gz FZTXYKMLCMYPFD-AWEZNQCLSA-N 1 0 249.329 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC001253608597 969308642 /nfs/dbraw/zinc/30/86/42/969308642.db2.gz CVNNMRRXMQPUCG-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959668 969309384 /nfs/dbraw/zinc/30/93/84/969309384.db2.gz XTUCCSNWVKFYML-VXGBXAGGSA-N 1 0 238.331 2.213 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001253610331 969310383 /nfs/dbraw/zinc/31/03/83/969310383.db2.gz DDNLHTBELLZOPB-UONOGXRCSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1ccccc1F ZINC001253609534 969310786 /nfs/dbraw/zinc/31/07/86/969310786.db2.gz VDQNRZWRRNGYSM-GFCCVEGCSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001253609845 969310975 /nfs/dbraw/zinc/31/09/75/969310975.db2.gz ZFUPGNUPGAAYMC-GFCCVEGCSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC001253610502 969311996 /nfs/dbraw/zinc/31/19/96/969311996.db2.gz TXYTVUQSHJVESI-VIFPVBQESA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CC1 ZINC001253610468 969312858 /nfs/dbraw/zinc/31/28/58/969312858.db2.gz SUTHRFVZLKITKF-KBPBESRZSA-N 1 0 235.302 2.413 20 30 BEEDRO COCOCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC001209030724 969327682 /nfs/dbraw/zinc/32/76/82/969327682.db2.gz AOYRIKJLRDYRQE-UHFFFAOYSA-N 1 0 248.326 2.001 20 30 BEEDRO C#CC[N@H+](C)CCc1cc(F)cc(F)c1 ZINC001209139629 969357290 /nfs/dbraw/zinc/35/72/90/969357290.db2.gz CVQNZXIDEXSKPG-UHFFFAOYSA-N 1 0 209.239 2.072 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001209157838 969360066 /nfs/dbraw/zinc/36/00/66/969360066.db2.gz IHYBTTXVSLECKH-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001253741856 969361391 /nfs/dbraw/zinc/36/13/91/969361391.db2.gz LJBHRWAKTLXTNZ-ZDUSSCGKSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCCC[N@@H+]1CCc2ncnc(CC)c2CC1 ZINC001209161835 969361825 /nfs/dbraw/zinc/36/18/25/969361825.db2.gz OPJNNASHAFAMFP-UHFFFAOYSA-N 1 0 245.370 2.406 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C(=O)OC)[C@H]1C ZINC001209160351 969362066 /nfs/dbraw/zinc/36/20/66/969362066.db2.gz SMHRJSNVSRDLFC-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001209162766 969362104 /nfs/dbraw/zinc/36/21/04/969362104.db2.gz LRTQHGZMUIWCCN-NSHDSACASA-N 1 0 231.286 2.453 20 30 BEEDRO C=CCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001209157371 969362154 /nfs/dbraw/zinc/36/21/54/969362154.db2.gz ABJLHGUIHOUIQH-NSHDSACASA-N 1 0 223.341 2.227 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](CCC(=O)OC)C1 ZINC001209163054 969365294 /nfs/dbraw/zinc/36/52/94/969365294.db2.gz SJSWRTJIVLTGAC-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H](Oc2cnccn2)C1 ZINC001209163670 969366334 /nfs/dbraw/zinc/36/63/34/969366334.db2.gz GVUTUDXENMHHKG-CYBMUJFWSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001209201217 969389221 /nfs/dbraw/zinc/38/92/21/969389221.db2.gz XCKDJDUJUFHIPB-MNOVXSKESA-N 1 0 231.286 2.309 20 30 BEEDRO C=CCCCCN1CCC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001209204819 969389249 /nfs/dbraw/zinc/38/92/49/969389249.db2.gz KEKQTGSILWOAAD-KBPBESRZSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCCCC[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001209201460 969390689 /nfs/dbraw/zinc/39/06/89/969390689.db2.gz MPKITUSTNPYCAS-UHFFFAOYSA-N 1 0 237.343 2.167 20 30 BEEDRO C=CCCCC[NH+]1CCC(n2cnnc2)CC1 ZINC001209205416 969393006 /nfs/dbraw/zinc/39/30/06/969393006.db2.gz XIGUOAVJFHMPAC-UHFFFAOYSA-N 1 0 234.347 2.271 20 30 BEEDRO C#CCCC[N@@H+]1CCc2cnc(C3CC3)nc2C1 ZINC001209268795 969419300 /nfs/dbraw/zinc/41/93/00/969419300.db2.gz RLFKACMFPVJNAT-UHFFFAOYSA-N 1 0 241.338 2.126 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(CC#N)CCCC1)C2 ZINC001169124395 969419963 /nfs/dbraw/zinc/41/99/63/969419963.db2.gz QYAZCDVDEBCIHL-ZSOGYDGISA-N 1 0 247.386 2.428 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cn2ccc(C)cc2n1 ZINC001209269607 969423857 /nfs/dbraw/zinc/42/38/57/969423857.db2.gz XTGANBHDSDBOIA-UHFFFAOYSA-N 1 0 241.338 2.488 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCC1OCCO1 ZINC001209306818 969432758 /nfs/dbraw/zinc/43/27/58/969432758.db2.gz BAUIQKJXMGBGMK-UHFFFAOYSA-N 1 0 213.321 2.038 20 30 BEEDRO N#C[C@@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001209322188 969443798 /nfs/dbraw/zinc/44/37/98/969443798.db2.gz WZCZQJYDJZHIKI-LBPRGKRZSA-N 1 0 226.323 2.247 20 30 BEEDRO C[Si](C)(C)C#Cn1ncc2c1cccc2C[NH3+] ZINC001169189456 969480734 /nfs/dbraw/zinc/48/07/34/969480734.db2.gz VEFJMXBPLCGVDZ-UHFFFAOYSA-N 1 0 243.386 2.181 20 30 BEEDRO CC[NH+]1CCC(N[C@H](C#N)c2ccccc2)CC1 ZINC001169218142 969486730 /nfs/dbraw/zinc/48/67/30/969486730.db2.gz MKCGXSSNFHOENL-OAHLLOKOSA-N 1 0 243.354 2.325 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001209423282 969491314 /nfs/dbraw/zinc/49/13/14/969491314.db2.gz LQMWSJAGBBONLX-STQMWFEESA-N 1 0 247.329 2.477 20 30 BEEDRO C=CCCCCCN1CC(C)([NH+](C)C)C1 ZINC001209428191 969498176 /nfs/dbraw/zinc/49/81/76/969498176.db2.gz ABZDLTNBRVAQIH-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCCCC[NH+]1CC(C)(CO)C1 ZINC001209432063 969503127 /nfs/dbraw/zinc/50/31/27/969503127.db2.gz YCLSKSMLBBBXHU-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO Cc1cc(CC#N)ccc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169233867 969512893 /nfs/dbraw/zinc/51/28/93/969512893.db2.gz SYOKCOLZKVFWMZ-NSHDSACASA-N 1 0 240.310 2.267 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](C)CC ZINC001169248940 969540811 /nfs/dbraw/zinc/54/08/11/969540811.db2.gz XVKKBVWDGRQAPT-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC001254312980 969555045 /nfs/dbraw/zinc/55/50/45/969555045.db2.gz DYIVLVUPKKZQOL-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO C=CC[N@H+](Cc1cnccn1)C(C)(C)C ZINC001209788904 969602995 /nfs/dbraw/zinc/60/29/95/969602995.db2.gz QFRFAQNIFPNUCB-UHFFFAOYSA-N 1 0 205.305 2.263 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)[C@@H](C)CC ZINC001169400910 969624974 /nfs/dbraw/zinc/62/49/74/969624974.db2.gz OISPBRUWKYDVRO-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](CC)CCC ZINC001169426642 969641169 /nfs/dbraw/zinc/64/11/69/969641169.db2.gz MBXAQUWGJGOKNW-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C[N@@H+]1CCC[C@@H](N[C@H](C#N)c2ccccc2)CC1 ZINC001254497600 969659785 /nfs/dbraw/zinc/65/97/85/969659785.db2.gz LKPATZLIPAUREY-HUUCEWRRSA-N 1 0 243.354 2.325 20 30 BEEDRO Cc1cc(NC=CC(=O)C(F)(F)F)cc(C)[nH+]1 ZINC001169475465 969670076 /nfs/dbraw/zinc/67/00/76/969670076.db2.gz FFFVEHYCUIZIID-ONEGZZNKSA-N 1 0 244.216 2.177 20 30 BEEDRO Cc1ccc(NC=CC(=O)C(F)(F)F)[nH+]c1N ZINC001169474269 969670285 /nfs/dbraw/zinc/67/02/85/969670285.db2.gz YXQMUVFJCVFSRH-SNAWJCMRSA-N 1 0 245.204 2.029 20 30 BEEDRO CCC[C@](C)(C#N)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254509929 969683512 /nfs/dbraw/zinc/68/35/12/969683512.db2.gz KMEKNQFUWHJUST-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO CCC[C@@](C)(C#N)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254509930 969683945 /nfs/dbraw/zinc/68/39/45/969683945.db2.gz KMEKNQFUWHJUST-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254643832 969747412 /nfs/dbraw/zinc/74/74/12/969747412.db2.gz RODHFUKAWPTKEB-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254637253 969749075 /nfs/dbraw/zinc/74/90/75/969749075.db2.gz NYXSKIPNESPOFD-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)ccc1O ZINC001254635853 969752736 /nfs/dbraw/zinc/75/27/36/969752736.db2.gz GBTQETDCDDGHLW-JQWIXIFHSA-N 1 0 246.310 2.183 20 30 BEEDRO N#C[C@H]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001254636071 969752992 /nfs/dbraw/zinc/75/29/92/969752992.db2.gz HSBPMQYXIJMBKA-VHSXEESVSA-N 1 0 233.290 2.389 20 30 BEEDRO CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254641933 969756163 /nfs/dbraw/zinc/75/61/63/969756163.db2.gz BTIONIKIKRTNTO-SDDRHHMPSA-N 1 0 222.332 2.416 20 30 BEEDRO CCCOCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254641920 969756224 /nfs/dbraw/zinc/75/62/24/969756224.db2.gz DDMQNTXDVXYLRW-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)/C(C)=C/C ZINC001156342323 969757852 /nfs/dbraw/zinc/75/78/52/969757852.db2.gz ABCNWGOMJYVNEK-UWUHSAQLSA-N 1 0 238.375 2.403 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2cccnc2)C1 ZINC001254644170 969758424 /nfs/dbraw/zinc/75/84/24/969758424.db2.gz VHIVIUPWGDYAMT-UONOGXRCSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001254643200 969758692 /nfs/dbraw/zinc/75/86/92/969758692.db2.gz NFCCUMMLOXTPCW-RYUDHWBXSA-N 1 0 227.311 2.353 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ncccc32)C1 ZINC001254646556 969760120 /nfs/dbraw/zinc/76/01/20/969760120.db2.gz NEVNXZFSYFCPKP-JTNHKYCSSA-N 1 0 227.311 2.351 20 30 BEEDRO C[C@](CO)([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC001254646301 969760301 /nfs/dbraw/zinc/76/03/01/969760301.db2.gz MEQLIAMLYWXXQO-BPLDGKMQSA-N 1 0 244.338 2.176 20 30 BEEDRO C[C@](CO)([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC001254646303 969761778 /nfs/dbraw/zinc/76/17/78/969761778.db2.gz MEQLIAMLYWXXQO-VHDGCEQUSA-N 1 0 244.338 2.176 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ncccc32)C1 ZINC001254646554 969762019 /nfs/dbraw/zinc/76/20/19/969762019.db2.gz NEVNXZFSYFCPKP-GYSYKLTISA-N 1 0 227.311 2.351 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001254648019 969762842 /nfs/dbraw/zinc/76/28/42/969762842.db2.gz XCGOSTFXDINNBE-AGIUHOORSA-N 1 0 241.338 2.241 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cccc(CC[NH3+])c2)C1 ZINC001254649998 969763508 /nfs/dbraw/zinc/76/35/08/969763508.db2.gz SCGALEVTDJBMRI-JSGCOSHPSA-N 1 0 229.327 2.292 20 30 BEEDRO N#CCC1([NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC001254654588 969765843 /nfs/dbraw/zinc/76/58/43/969765843.db2.gz WCZUIERCDOVABV-NEPJUHHUSA-N 1 0 217.316 2.495 20 30 BEEDRO CC[N@H+]([C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254667150 969773804 /nfs/dbraw/zinc/77/38/04/969773804.db2.gz AGEIFPGTNWGSJI-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC001254667147 969774142 /nfs/dbraw/zinc/77/41/42/969774142.db2.gz AGEIFPGTNWGSJI-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001254670827 969777311 /nfs/dbraw/zinc/77/73/11/969777311.db2.gz MRFUYAZVWCKZTP-DGORSVRFSA-N 1 0 208.280 2.111 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(S)CC2)C1 ZINC001254671225 969778193 /nfs/dbraw/zinc/77/81/93/969778193.db2.gz PYGVXNWCZNTKOW-UWVGGRQHSA-N 1 0 210.346 2.073 20 30 BEEDRO CC[N@H+](C)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254677419 969784221 /nfs/dbraw/zinc/78/42/21/969784221.db2.gz SXYGMPPJCQHGTC-JSGCOSHPSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[N@@H+]1CCN([C@@H]2CC[C@H](C#N)C2)C(C)(C)C1 ZINC001254678669 969784647 /nfs/dbraw/zinc/78/46/47/969784647.db2.gz GTKVJLJHTBSXHJ-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO CCc1cc(Nc2cncc(C#N)c2)cc[nH+]1 ZINC001210084771 969791291 /nfs/dbraw/zinc/79/12/91/969791291.db2.gz VAYDATDFJQFMRK-UHFFFAOYSA-N 1 0 224.267 2.076 20 30 BEEDRO CC(C)C[C@@](C)(C#N)N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254849474 969806220 /nfs/dbraw/zinc/80/62/20/969806220.db2.gz BONXJBAFCWPBEQ-GJZGRUSLSA-N 1 0 249.402 2.389 20 30 BEEDRO C#C[C@](C)(CC)Nc1ccc(C[NH+](C)C)cn1 ZINC001169691835 969810008 /nfs/dbraw/zinc/81/00/08/969810008.db2.gz GKZFBAUMASUMPM-CQSZACIVSA-N 1 0 231.343 2.357 20 30 BEEDRO C#C[C@](C)(CC)Nc1cccc(C[NH+](C)C)n1 ZINC001169698222 969810901 /nfs/dbraw/zinc/81/09/01/969810901.db2.gz RSEGKSLHSPBERZ-CQSZACIVSA-N 1 0 231.343 2.357 20 30 BEEDRO C#C[C@](C)(CC)Nc1[nH+]ccc2c1CCN2 ZINC001169692985 969813876 /nfs/dbraw/zinc/81/38/76/969813876.db2.gz RKGKCPUXIKTEJS-CYBMUJFWSA-N 1 0 215.300 2.263 20 30 BEEDRO C#C[C@](C)(CC)Nc1cccc(C[NH3+])c1 ZINC001169696981 969815086 /nfs/dbraw/zinc/81/50/86/969815086.db2.gz FKMJAEBBAMPHOB-CYBMUJFWSA-N 1 0 202.301 2.359 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cccc(C[NH3+])c1 ZINC001169696982 969815625 /nfs/dbraw/zinc/81/56/25/969815625.db2.gz FKMJAEBBAMPHOB-ZDUSSCGKSA-N 1 0 202.301 2.359 20 30 BEEDRO N#Cc1cc2[nH]ccc2c(-n2ccc(C[NH3+])c2)c1 ZINC001169726163 969819345 /nfs/dbraw/zinc/81/93/45/969819345.db2.gz USZKCGPDWXOAMV-UHFFFAOYSA-N 1 0 236.278 2.289 20 30 BEEDRO [NH3+]Cc1ccn(-c2ccc3c(c2)CC/C3=N/O)c1 ZINC001169726409 969820105 /nfs/dbraw/zinc/82/01/05/969820105.db2.gz WBFLTNNVIFSUFO-PEZBUJJGSA-N 1 0 241.294 2.061 20 30 BEEDRO C#C[C@](C)(CC)Nc1ccccc1CC[NH3+] ZINC001169701686 969827000 /nfs/dbraw/zinc/82/70/00/969827000.db2.gz QTLAVXNSQGWHFS-CQSZACIVSA-N 1 0 216.328 2.402 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254938246 969828322 /nfs/dbraw/zinc/82/83/22/969828322.db2.gz YNGYLCYXIHGJPS-GDNZZTSVSA-N 1 0 207.317 2.300 20 30 BEEDRO Cc1ccc(C#N)nc1NC(C)(C)CC[NH+](C)C ZINC001169711585 969830448 /nfs/dbraw/zinc/83/04/48/969830448.db2.gz MUKISGGGSZCDBM-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO Cc1cc(N(C)c2cc(N)cc[nH+]2)cnc1C#N ZINC001210202962 969831054 /nfs/dbraw/zinc/83/10/54/969831054.db2.gz WZWSXUYLYIIGPE-UHFFFAOYSA-N 1 0 239.282 2.007 20 30 BEEDRO Cc1c(Cl)cnc(-n2ccc(C[NH3+])c2)c1C#N ZINC001169722821 969834637 /nfs/dbraw/zinc/83/46/37/969834637.db2.gz FUSHNTLQFTXAHW-UHFFFAOYSA-N 1 0 246.701 2.165 20 30 BEEDRO N#CCC1CC[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254954893 969836578 /nfs/dbraw/zinc/83/65/78/969836578.db2.gz VPMXDJMHYSZHTA-STQMWFEESA-N 1 0 246.354 2.370 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254955227 969837964 /nfs/dbraw/zinc/83/79/64/969837964.db2.gz YWVCBXFOEQYZAR-MQYQWHSLSA-N 1 0 246.354 2.370 20 30 BEEDRO C=CC[NH+](CC=C)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254957488 969839112 /nfs/dbraw/zinc/83/91/12/969839112.db2.gz VFULRHINNVOLME-VXGBXAGGSA-N 1 0 219.328 2.418 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255027579 969852833 /nfs/dbraw/zinc/85/28/33/969852833.db2.gz WVTOZSDSBRLBFG-LBPRGKRZSA-N 1 0 226.323 2.389 20 30 BEEDRO Cc1ccc(C(=[NH2+])NC2CCOCC2)cc1C ZINC001255036578 969859902 /nfs/dbraw/zinc/85/99/02/969859902.db2.gz DYZXIPVLDWDXRW-UHFFFAOYSA-N 1 0 232.327 2.188 20 30 BEEDRO C=C[C@@H](CO)Nc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001169787221 969861145 /nfs/dbraw/zinc/86/11/45/969861145.db2.gz LMVJZPCDIUXOPG-KGLIPLIRSA-N 1 0 246.354 2.065 20 30 BEEDRO C=CC[C@H](Nc1ccc([C@H](C)[NH3+])cc1)C(=O)OC ZINC001169842499 969870715 /nfs/dbraw/zinc/87/07/15/969870715.db2.gz YAKFKYARAYUOGQ-GWCFXTLKSA-N 1 0 248.326 2.236 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169954457 969890131 /nfs/dbraw/zinc/89/01/31/969890131.db2.gz ASNMCKVUONLCMB-KBPBESRZSA-N 1 0 249.354 2.017 20 30 BEEDRO CC1(C)CC(=O)C=C(Nc2cccc(C[NH3+])n2)C1 ZINC001169952863 969890665 /nfs/dbraw/zinc/89/06/65/969890665.db2.gz INTCOLHJXVXWDI-UHFFFAOYSA-N 1 0 245.326 2.225 20 30 BEEDRO C#CCN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766965497 969892837 /nfs/dbraw/zinc/89/28/37/969892837.db2.gz GWIQVDAQAOBLTN-HUUCEWRRSA-N 1 0 242.366 2.214 20 30 BEEDRO C#CCN1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766965499 969892943 /nfs/dbraw/zinc/89/29/43/969892943.db2.gz GWIQVDAQAOBLTN-LSDHHAIUSA-N 1 0 242.366 2.214 20 30 BEEDRO C#CCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000766965495 969893892 /nfs/dbraw/zinc/89/38/92/969893892.db2.gz GWIQVDAQAOBLTN-GJZGRUSLSA-N 1 0 242.366 2.214 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109133083 969927770 /nfs/dbraw/zinc/92/77/70/969927770.db2.gz XYRWCLCAWQSYOR-BFMBINPPSA-N 1 0 248.370 2.250 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001156599289 969933683 /nfs/dbraw/zinc/93/36/83/969933683.db2.gz ZDCFZOJRAWAZKV-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H](CC#N)n1c2ccccc2nc1CC[NH3+] ZINC001255153132 969958948 /nfs/dbraw/zinc/95/89/48/969958948.db2.gz PHIDXYLSHAGUFV-LLVKDONJSA-N 1 0 242.326 2.402 20 30 BEEDRO CCCC[N@H+](C)CCCN[C@@H](CC)CC#N ZINC001255153240 969960535 /nfs/dbraw/zinc/96/05/35/969960535.db2.gz SGQCOOMSRUZNNW-ZDUSSCGKSA-N 1 0 225.380 2.390 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255154925 969962699 /nfs/dbraw/zinc/96/26/99/969962699.db2.gz ICLAVDIHHVZZGM-AGIUHOORSA-N 1 0 223.364 2.141 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001255160781 969971171 /nfs/dbraw/zinc/97/11/71/969971171.db2.gz PRHFBKOCFDLIRK-OLZOCXBDSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1(Cc2cccnc2)CC1 ZINC001255162815 969971850 /nfs/dbraw/zinc/97/18/50/969971850.db2.gz ZLIJBMYGFJDWQD-CYBMUJFWSA-N 1 0 229.327 2.439 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1(Cc2cccnc2)CC1 ZINC001255162816 969972632 /nfs/dbraw/zinc/97/26/32/969972632.db2.gz ZLIJBMYGFJDWQD-ZDUSSCGKSA-N 1 0 229.327 2.439 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001255163589 969973047 /nfs/dbraw/zinc/97/30/47/969973047.db2.gz AMOCSHUXAKNUOA-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC001255163993 969973846 /nfs/dbraw/zinc/97/38/46/969973846.db2.gz IXZYTLYRQIPZFN-TUAOUCFPSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@H](CC#N)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001255174641 969988745 /nfs/dbraw/zinc/98/87/45/969988745.db2.gz ZVCPWUVBFZFOGQ-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO CC[C@H](CC#N)N1CC[N@H+](CC)CC1(C)C ZINC001255176830 969994067 /nfs/dbraw/zinc/99/40/67/969994067.db2.gz GNEQRNKNMLBZSQ-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO CC[C@H](CC#N)N1CCC([N@H+](C)CC)CC1 ZINC001255179494 969996839 /nfs/dbraw/zinc/99/68/39/969996839.db2.gz PWJQTDRYGKWZRX-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO CCCN(CCC[NH+](C)C)[C@H](CC)CC#N ZINC001255179438 969997534 /nfs/dbraw/zinc/99/75/34/969997534.db2.gz PKSOSCIOILOKDK-CYBMUJFWSA-N 1 0 225.380 2.342 20 30 BEEDRO N#Cc1ccccc1OCC[NH2+][C@H]1CCSC1 ZINC001255276907 970030487 /nfs/dbraw/zinc/03/04/87/970030487.db2.gz MGXGAESWLYZJJG-LBPRGKRZSA-N 1 0 248.351 2.032 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCSC2)N=N1 ZINC001255279950 970033043 /nfs/dbraw/zinc/03/30/43/970033043.db2.gz RZXYEGNZTURTRW-JTQLQIEISA-N 1 0 223.345 2.047 20 30 BEEDRO C=CCN1CCC[C@H]([NH2+][C@@H](C)CCCC)C1=O ZINC001255317840 970090200 /nfs/dbraw/zinc/09/02/00/970090200.db2.gz SQDKUPBVHBUURD-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C/C(=N\O)c1ccc(N(C)C(C)(C)C[NH3+])cc1 ZINC001170060627 970120552 /nfs/dbraw/zinc/12/05/52/970120552.db2.gz UOEXQWPUSBUGND-XNTDXEJSSA-N 1 0 235.331 2.058 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2cncc(C#N)c2)c1 ZINC001211135888 970157880 /nfs/dbraw/zinc/15/78/80/970157880.db2.gz IRRFTXNGZZZXJO-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C[N@@H+]1CCC[C@H](N[C@@H](C#N)c2ccc(F)cc2)C1 ZINC001255470236 970198377 /nfs/dbraw/zinc/19/83/77/970198377.db2.gz MHJPMNNMHBKAFC-KBPBESRZSA-N 1 0 247.317 2.074 20 30 BEEDRO COc1c[nH+]ccc1Nc1sccc1C#N ZINC001211257741 970201376 /nfs/dbraw/zinc/20/13/76/970201376.db2.gz QQPRSVZIZSZOGD-UHFFFAOYSA-N 1 0 231.280 2.189 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(C#N)c(C)c1 ZINC001211263756 970207886 /nfs/dbraw/zinc/20/78/86/970207886.db2.gz HYFWGDCHYSTHBH-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO Cn1c[nH+]cc1NCc1ccc(C#N)c(F)c1 ZINC001170094192 970248556 /nfs/dbraw/zinc/24/85/56/970248556.db2.gz JZAJWKHYVSVCIP-UHFFFAOYSA-N 1 0 230.246 2.043 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)CCO1 ZINC000300719199 970299901 /nfs/dbraw/zinc/29/99/01/970299901.db2.gz AUFLIUWGYDRRMI-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCOC(C)(C)C2)N=N1 ZINC001255534754 970300119 /nfs/dbraw/zinc/30/01/19/970300119.db2.gz HNLAGWMLGOCVTP-GFCCVEGCSA-N 1 0 249.358 2.499 20 30 BEEDRO C=C[C@@H]1C[C@]1(N[C@@H]1CC[C@@H](C)C1)C(=O)OCC ZINC001170110343 970315633 /nfs/dbraw/zinc/31/56/33/970315633.db2.gz XGRMMDYFWDTGGB-HKUMRIAESA-N 1 0 237.343 2.272 20 30 BEEDRO C=CCOCc1cccc(C2=CC[NH2+]C2)c1 ZINC001243112091 970355092 /nfs/dbraw/zinc/35/50/92/970355092.db2.gz RCZILXDFFURMSM-UHFFFAOYSA-N 1 0 215.296 2.376 20 30 BEEDRO C[C@H](C#N)N(C)c1ncccc1C[NH+]1CCCC1 ZINC001157489561 970377027 /nfs/dbraw/zinc/37/70/27/970377027.db2.gz ABYMGMYWZICTSX-GFCCVEGCSA-N 1 0 244.342 2.026 20 30 BEEDRO C=CC[NH+](CC=C)C1CCC2(CC1)OCCO2 ZINC001255627538 970404363 /nfs/dbraw/zinc/40/43/63/970404363.db2.gz YGXFWOVRQSBPPE-UHFFFAOYSA-N 1 0 237.343 2.346 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CN(C(C)=O)C[C@H]1C ZINC001214014276 970417477 /nfs/dbraw/zinc/41/74/77/970417477.db2.gz JXILDFGVWVLLCT-TZMCWYRMSA-N 1 0 240.391 2.413 20 30 BEEDRO C=CCN1CC[NH+](Cc2ccc(C)s2)CC1 ZINC001204034349 970428605 /nfs/dbraw/zinc/42/86/05/970428605.db2.gz GXJMDLIDFKVTBO-UHFFFAOYSA-N 1 0 236.384 2.360 20 30 BEEDRO CC[C@](C)(C#N)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255668953 970448831 /nfs/dbraw/zinc/44/88/31/970448831.db2.gz PKOBZFAVCAZRKO-WTUNAVPPSA-N 1 0 235.375 2.284 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CC(=O)Cc1ccccc1 ZINC001170185546 970559053 /nfs/dbraw/zinc/55/90/53/970559053.db2.gz IEFNKABXBWEHAX-UHFFFAOYSA-N 1 0 245.398 2.226 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC[C@H]1CCOC1 ZINC000400557087 970601966 /nfs/dbraw/zinc/60/19/66/970601966.db2.gz BRAXSHDWFITTSR-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CC[C@@](C)(C#N)C1 ZINC001255972596 970606693 /nfs/dbraw/zinc/60/66/93/970606693.db2.gz UYOGEUXOLHWAIT-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO CCC[C@@](C)(C#N)NC1CC[NH+](C2CC2)CC1 ZINC001256072137 970636770 /nfs/dbraw/zinc/63/67/70/970636770.db2.gz YYCGDRCMRHMTNP-AWEZNQCLSA-N 1 0 235.375 2.285 20 30 BEEDRO C[NH+]1CC(CNc2ccc(C#N)c3[nH]ccc32)C1 ZINC001170256041 970639346 /nfs/dbraw/zinc/63/93/46/970639346.db2.gz ABHHQZXXSHTCIQ-UHFFFAOYSA-N 1 0 240.310 2.013 20 30 BEEDRO Cc1cc(CC#N)ccc1NCC1C[NH+](C)C1 ZINC001170256859 970640393 /nfs/dbraw/zinc/64/03/93/970640393.db2.gz ZLUZGSRJKVMLRE-UHFFFAOYSA-N 1 0 229.327 2.035 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1cccc(OC)c1 ZINC001256166529 970676960 /nfs/dbraw/zinc/67/69/60/970676960.db2.gz DCXWWHFRICKLMF-GFCCVEGCSA-N 1 0 217.312 2.191 20 30 BEEDRO Cc1ccc(NCC(C)(C)S)[nH+]c1N ZINC001170302266 970688656 /nfs/dbraw/zinc/68/86/56/970688656.db2.gz CMIRXGJHLUEYAX-UHFFFAOYSA-N 1 0 211.334 2.093 20 30 BEEDRO C=CC[N@@H+](C1CCN(C)CC1)C(C)(C)C ZINC001256209184 970708550 /nfs/dbraw/zinc/70/85/50/970708550.db2.gz ONHGMSLTJMKZLA-UHFFFAOYSA-N 1 0 210.365 2.367 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170417431 970742339 /nfs/dbraw/zinc/74/23/39/970742339.db2.gz KMVYRHNWTVLGKF-DGCLKSJQSA-N 1 0 245.322 2.348 20 30 BEEDRO C=CCCOCCNC(=[NH2+])Nc1ccc(C)cc1 ZINC000305437073 970742330 /nfs/dbraw/zinc/74/23/30/970742330.db2.gz JFSMKAYJFXAMTI-UHFFFAOYSA-N 1 0 247.342 2.314 20 30 BEEDRO C#CCC[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170417187 970745506 /nfs/dbraw/zinc/74/55/06/970745506.db2.gz HEUSUINUQYSRGO-ZDUSSCGKSA-N 1 0 245.322 2.349 20 30 BEEDRO CC(C)CC[C@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001256361441 970762432 /nfs/dbraw/zinc/76/24/32/970762432.db2.gz QCQOISVPPOYAHO-ZDUSSCGKSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@]1(C)CCC[N@@H+](C)C1 ZINC001144077843 972551109 /nfs/dbraw/zinc/55/11/09/972551109.db2.gz NDLQDXCBOLPCHC-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](N[C@H]1CC[C@@H]1C1CC1)C(=O)OCC ZINC001327385167 972567069 /nfs/dbraw/zinc/56/70/69/972567069.db2.gz SPDJZTCBUIIBIA-AGIUHOORSA-N 1 0 237.343 2.272 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](F)CC2)nc1 ZINC001144153494 972630565 /nfs/dbraw/zinc/63/05/65/972630565.db2.gz ACTNGSOJHHWSCM-LBPRGKRZSA-N 1 0 233.290 2.277 20 30 BEEDRO N#Cc1ccc(C[N@H+](CC2CC2)C2CC2)nc1 ZINC001144166549 972660453 /nfs/dbraw/zinc/66/04/53/972660453.db2.gz KOOMJZWEUNHNDQ-UHFFFAOYSA-N 1 0 227.311 2.328 20 30 BEEDRO C=C(CNC(=O)C[NH2+]C(C)(C)C)c1ccccc1 ZINC001327686821 972699425 /nfs/dbraw/zinc/69/94/25/972699425.db2.gz UIVADZGMELFAFQ-UHFFFAOYSA-N 1 0 246.354 2.204 20 30 BEEDRO C[C@@H]1CC[C@H](CN)[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246555505 972754478 /nfs/dbraw/zinc/75/44/78/972754478.db2.gz HBAUVLWIANXTJQ-BLYZHGLHSA-N 1 0 235.375 2.128 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1C ZINC001171174575 972800466 /nfs/dbraw/zinc/80/04/66/972800466.db2.gz AMYZPZZUCKLTFL-UHIISALHSA-N 1 0 214.312 2.487 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC001327896329 972800506 /nfs/dbraw/zinc/80/05/06/972800506.db2.gz FEVXHOUKDCXSOV-NFOMZHRRSA-N 1 0 235.371 2.273 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@H]1C ZINC001171174571 972802268 /nfs/dbraw/zinc/80/22/68/972802268.db2.gz AMYZPZZUCKLTFL-GYSYKLTISA-N 1 0 214.312 2.487 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)n1cncc1C[NH3+] ZINC001171175956 972804951 /nfs/dbraw/zinc/80/49/51/972804951.db2.gz ODUVVSXOVKOFLX-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCOC1 ZINC001171177766 972805342 /nfs/dbraw/zinc/80/53/42/972805342.db2.gz AHOGYVJKPZXDNY-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCF ZINC001171179555 972808465 /nfs/dbraw/zinc/80/84/65/972808465.db2.gz UAHUCVLBAVPPDK-JTQLQIEISA-N 1 0 206.264 2.048 20 30 BEEDRO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)nc1 ZINC001144430285 972813549 /nfs/dbraw/zinc/81/35/49/972813549.db2.gz BMSJPTQNAMUOPO-LBPRGKRZSA-N 1 0 245.326 2.216 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)n1cc(C[NH3+])cn1 ZINC001171185285 972820697 /nfs/dbraw/zinc/82/06/97/972820697.db2.gz PZZZSTFVQBPGSY-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO Cc1cc(Cl)c(C#N)c(NCC(C)(C)[NH3+])n1 ZINC001171188636 972833037 /nfs/dbraw/zinc/83/30/37/972833037.db2.gz MOAGZDLMPSOCHS-UHFFFAOYSA-N 1 0 238.722 2.064 20 30 BEEDRO C=CCC(CC=C)C(=O)NC[C@H]1CCN1CC=C ZINC001276862050 972836226 /nfs/dbraw/zinc/83/62/26/972836226.db2.gz SEKAMHNUOWCSRY-CQSZACIVSA-N 1 0 248.370 2.131 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCC#N ZINC001171190585 972841397 /nfs/dbraw/zinc/84/13/97/972841397.db2.gz WEJVENPFTIGVKY-LBPRGKRZSA-N 1 0 227.311 2.383 20 30 BEEDRO CC(C)([NH3+])CNc1ccc2c(C#N)nccc2c1 ZINC001171193655 972843584 /nfs/dbraw/zinc/84/35/84/972843584.db2.gz DQFPHVJRDMHOSW-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+]1C=C(N)C=CC1 ZINC001171194443 972846513 /nfs/dbraw/zinc/84/65/13/972846513.db2.gz JMBQOBYOKVPERN-LBPRGKRZSA-N 1 0 239.322 2.161 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)cc1 ZINC001144568361 972873014 /nfs/dbraw/zinc/87/30/14/972873014.db2.gz RXMPXCLCMUAVHA-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)cc1 ZINC001144567792 972873689 /nfs/dbraw/zinc/87/36/89/972873689.db2.gz CFGFIWCPFWPANH-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)cc1 ZINC001144568362 972873950 /nfs/dbraw/zinc/87/39/50/972873950.db2.gz RXMPXCLCMUAVHA-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)cc1 ZINC001144567938 972874270 /nfs/dbraw/zinc/87/42/70/972874270.db2.gz FAKMKZLZPNPVPV-WFASDCNBSA-N 1 0 229.323 2.013 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)cc1 ZINC001144568262 972874285 /nfs/dbraw/zinc/87/42/85/972874285.db2.gz OUFGAUDONKDYLD-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)cc1 ZINC001144576131 972877576 /nfs/dbraw/zinc/87/75/76/972877576.db2.gz BPDDHAAWVOVOFO-DAXOMENPSA-N 1 0 241.334 2.135 20 30 BEEDRO C#CC[N@@H+](CCc1ccncc1C)CC1CC1 ZINC001328160051 972885864 /nfs/dbraw/zinc/88/58/64/972885864.db2.gz FFYPNYAVISVMCD-UHFFFAOYSA-N 1 0 228.339 2.278 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@]1(C)CCOC1 ZINC001171202299 972898740 /nfs/dbraw/zinc/89/87/40/972898740.db2.gz YRNMLEDUMJCFPE-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO CC[N@H+](CCOC)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204362 972921703 /nfs/dbraw/zinc/92/17/03/972921703.db2.gz WQWDGVVWELCDHP-ZDUSSCGKSA-N 1 0 246.354 2.458 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000691556831 973020466 /nfs/dbraw/zinc/02/04/66/973020466.db2.gz MSVUJHQACWJNCS-LBPRGKRZSA-N 1 0 204.317 2.458 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@H]4C[C@@]4(N)C3)C[C@H](C1)C2 ZINC001246869570 973224626 /nfs/dbraw/zinc/22/46/26/973224626.db2.gz MOPFXBXDHWWIHE-VVYWCFLBSA-N 1 0 232.371 2.154 20 30 BEEDRO C=CCO[C@@H]1CCN(Cc2nccn2C(C)C)C1 ZINC001328656830 973235443 /nfs/dbraw/zinc/23/54/43/973235443.db2.gz XWQJEIKSLNSAFD-CYBMUJFWSA-N 1 0 249.358 2.241 20 30 BEEDRO C=CCOc1ccccc1COC1CN(CC)C1 ZINC001223784902 973272084 /nfs/dbraw/zinc/27/20/84/973272084.db2.gz CCZVJFHPWIHXPO-UHFFFAOYSA-N 1 0 247.338 2.472 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCC)C1 ZINC001276928400 973325479 /nfs/dbraw/zinc/32/54/79/973325479.db2.gz NRUDFMQJYURZER-XYPYZODXSA-N 1 0 244.766 2.023 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](CC)CC(C)C ZINC001147038260 973379739 /nfs/dbraw/zinc/37/97/39/973379739.db2.gz LNCRGVZDOTUIOU-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001328955787 973399415 /nfs/dbraw/zinc/39/94/15/973399415.db2.gz BACYPTFDYIIYGV-MRXNPFEDSA-N 1 0 243.350 2.383 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C)n[nH]1 ZINC001329067193 973461546 /nfs/dbraw/zinc/46/15/46/973461546.db2.gz MQIKTJANOOORBP-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)nn2C)C1 ZINC001329066810 973461592 /nfs/dbraw/zinc/46/15/92/973461592.db2.gz JLTWKYBZSOIKCA-LBPRGKRZSA-N 1 0 219.332 2.127 20 30 BEEDRO C[NH+]1CC2(C1)CCN(c1cccc(C#N)c1)CC2 ZINC001276953181 973475762 /nfs/dbraw/zinc/47/57/62/973475762.db2.gz GTDMPDZXNPHXRW-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO COc1cc(C#N)ccc1CO[C@@H](C)C[NH+](C)C ZINC001224188604 973479516 /nfs/dbraw/zinc/47/95/16/973479516.db2.gz HDUBKZLXDOUGQE-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC001147332077 973532736 /nfs/dbraw/zinc/53/27/36/973532736.db2.gz SZSITKNLOJSPTB-GHMZBOCLSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCOC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001224341863 973580011 /nfs/dbraw/zinc/58/00/11/973580011.db2.gz NFQNHMXRFAKTGR-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)C[C@H](C)CC ZINC001329397555 973733268 /nfs/dbraw/zinc/73/32/68/973733268.db2.gz PICQFJBPICXPFZ-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO N#CC1CCC(N2CC[C@@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014517 973794967 /nfs/dbraw/zinc/79/49/67/973794967.db2.gz KOEDXWNMEMKBOD-SHWKFHJASA-N 1 0 247.386 2.143 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001329517175 973797537 /nfs/dbraw/zinc/79/75/37/973797537.db2.gz SMNKPTYARPYGMJ-STQMWFEESA-N 1 0 240.391 2.434 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OCCC[N+](C)(C)C ZINC001224623075 973805014 /nfs/dbraw/zinc/80/50/14/973805014.db2.gz KYWMXTUNFRKMMK-CYBMUJFWSA-N 1 0 242.459 2.369 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)C(C)(C)C ZINC001148689654 973877665 /nfs/dbraw/zinc/87/76/65/973877665.db2.gz GRFPCQSBPJPFEH-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CCC#C[C@H](C)OC[C@H]1CCCC[N@@H+]1C ZINC001224708338 973878097 /nfs/dbraw/zinc/87/80/97/973878097.db2.gz XKUCRQMIEYOCIT-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@@H+](Cc1ccncc1C)CC1CC1 ZINC001329710252 973895677 /nfs/dbraw/zinc/89/56/77/973895677.db2.gz KBWBFUUDKDYYTC-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[N@@H+](Cc1cc(CO)ccc1F)CC1CC1 ZINC001329791603 973934837 /nfs/dbraw/zinc/93/48/37/973934837.db2.gz BRNPYXLQSSEXMS-UHFFFAOYSA-N 1 0 247.313 2.163 20 30 BEEDRO C#C[C@H](CC(C)C)OC[C@@H]1CCC[N@@H+]1C ZINC001224816816 973993862 /nfs/dbraw/zinc/99/38/62/973993862.db2.gz AUQMOANGAYKVRC-QWHCGFSZSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C)CC ZINC001224861529 974031117 /nfs/dbraw/zinc/03/11/17/974031117.db2.gz VJEJYAGTWLGYAH-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171462159 974076729 /nfs/dbraw/zinc/07/67/29/974076729.db2.gz DTFSMWIGUWFWCI-GFCCVEGCSA-N 1 0 235.277 2.435 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171557796 974101606 /nfs/dbraw/zinc/10/16/06/974101606.db2.gz WSHCVKZXHNJQBV-OCCSQVGLSA-N 1 0 213.324 2.464 20 30 BEEDRO C#CC1(NC2CC(C)(C)[NH+](C)C(C)(C)C2)CC1 ZINC001171623789 974120442 /nfs/dbraw/zinc/12/04/42/974120442.db2.gz GJYWMIJJQUBEAC-UHFFFAOYSA-N 1 0 234.387 2.393 20 30 BEEDRO C#C[C@@H](CC(C)C)OCCCC[NH+](C)C ZINC001224991412 974124705 /nfs/dbraw/zinc/12/47/05/974124705.db2.gz RXICFRLPTHIAHK-ZDUSSCGKSA-N 1 0 211.349 2.393 20 30 BEEDRO C#CCN(C)[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763269 974147008 /nfs/dbraw/zinc/14/70/08/974147008.db2.gz OYPYWQHAVHNZAB-HOCLYGCPSA-N 1 0 242.366 2.214 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171773793 974157043 /nfs/dbraw/zinc/15/70/43/974157043.db2.gz OWPAZHLAFXRAPV-LLVKDONJSA-N 1 0 217.287 2.294 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C(C)(C)C ZINC001171804114 974192911 /nfs/dbraw/zinc/19/29/11/974192911.db2.gz YDMKLBONQDAVQG-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1Cc2cccc(F)c2C1 ZINC001171804203 974193574 /nfs/dbraw/zinc/19/35/74/974193574.db2.gz AIGCWQWNQUMXBS-NSHDSACASA-N 1 0 205.276 2.411 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccn1C1CC1 ZINC001330528953 974293281 /nfs/dbraw/zinc/29/32/81/974293281.db2.gz OHCGEJGWHJIDFN-UHFFFAOYSA-N 1 0 234.368 2.279 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)C)C1 ZINC001330563162 974317051 /nfs/dbraw/zinc/31/70/51/974317051.db2.gz BTBIXJBROMTECO-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001330569257 974322982 /nfs/dbraw/zinc/32/29/82/974322982.db2.gz FPGQAMPSXQRMME-LGLPYPHISA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)C2CC=CC2)CC1 ZINC001277028628 974323664 /nfs/dbraw/zinc/32/36/64/974323664.db2.gz WOEVRGKJNWFGBC-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO Cc1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001225260901 974324023 /nfs/dbraw/zinc/32/40/23/974324023.db2.gz MLRHYYMPURALRA-CQSZACIVSA-N 1 0 233.335 2.362 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001330569258 974324283 /nfs/dbraw/zinc/32/42/83/974324283.db2.gz FPGQAMPSXQRMME-UYIJUNRBSA-N 1 0 248.370 2.013 20 30 BEEDRO N#CCc1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1 ZINC001225264559 974326349 /nfs/dbraw/zinc/32/63/49/974326349.db2.gz JHPKOZPLQYSVPH-HNNXBMFYSA-N 1 0 242.322 2.226 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206154433 974328817 /nfs/dbraw/zinc/32/88/17/974328817.db2.gz IZVZEBHUXMFVTL-CHWSQXEVSA-N 1 0 228.355 2.494 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(C2CC2)CCOCC1 ZINC001330617254 974362771 /nfs/dbraw/zinc/36/27/71/974362771.db2.gz ASFPGWCNJMMTPJ-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C[C@H](COC)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC001330620285 974367500 /nfs/dbraw/zinc/36/75/00/974367500.db2.gz BOGYLLLLWUVLBX-HUUCEWRRSA-N 1 0 249.354 2.035 20 30 BEEDRO C=CCSCC[NH2+]CC1(OC)CCC1 ZINC001330625395 974368629 /nfs/dbraw/zinc/36/86/29/974368629.db2.gz GAKIXOZTQXDPBX-UHFFFAOYSA-N 1 0 215.362 2.064 20 30 BEEDRO SCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172191600 974401264 /nfs/dbraw/zinc/40/12/64/974401264.db2.gz TVYSVMWCDBWOPR-JTQLQIEISA-N 1 0 225.382 2.223 20 30 BEEDRO C[C@H](CCNc1c(C#N)cccc1C#N)[NH+](C)C ZINC001330686263 974416691 /nfs/dbraw/zinc/41/66/91/974416691.db2.gz WZHLYWVFGVQUNX-LLVKDONJSA-N 1 0 242.326 2.182 20 30 BEEDRO C=CCC[NH2+]CCC[C@H](C)NC(=O)C(C)C ZINC001330749850 974450065 /nfs/dbraw/zinc/45/00/65/974450065.db2.gz SBCQVEDWJSQLPR-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001172220436 974452520 /nfs/dbraw/zinc/45/25/20/974452520.db2.gz LMKPUHFFTPWVET-MQVJKMGUSA-N 1 0 241.334 2.468 20 30 BEEDRO C=CCCCCn1cc(C[NH2+]CC2CC2)nn1 ZINC001330784084 974466425 /nfs/dbraw/zinc/46/64/25/974466425.db2.gz YSJNNSFLQQAZQH-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCCO1 ZINC001330829607 974492548 /nfs/dbraw/zinc/49/25/48/974492548.db2.gz AEBRNFVXXLLUKS-ZIAGYGMSSA-N 1 0 249.358 2.056 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC001330842821 974500568 /nfs/dbraw/zinc/50/05/68/974500568.db2.gz YKPCOTKPDLXDJF-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172242565 974505665 /nfs/dbraw/zinc/50/56/65/974505665.db2.gz YEKUJBZUWGLTGL-FUDCBSFHSA-N 1 0 232.327 2.098 20 30 BEEDRO CC1(C#N)CC[NH+](C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172241819 974505852 /nfs/dbraw/zinc/50/58/52/974505852.db2.gz KOMSZAQQBWZTOP-YHWZYXNKSA-N 1 0 232.327 2.098 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241507 974507281 /nfs/dbraw/zinc/50/72/81/974507281.db2.gz BJAIPWMMQMKYMP-RLOQDJFYSA-N 1 0 244.338 2.239 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CSC1 ZINC001172302150 974515982 /nfs/dbraw/zinc/51/59/82/974515982.db2.gz FHTZDLFZSZBUTR-JTQLQIEISA-N 1 0 232.352 2.194 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC(C#N)C1 ZINC001172305340 974517475 /nfs/dbraw/zinc/51/74/75/974517475.db2.gz RPDFGPXBPAUPGN-VCANKDNSSA-N 1 0 239.322 2.381 20 30 BEEDRO COCC[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172307879 974518700 /nfs/dbraw/zinc/51/87/00/974518700.db2.gz HHOHAFVYCVWACI-LBPRGKRZSA-N 1 0 232.327 2.067 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(C)C)C1CCOCC1 ZINC001330885775 974521863 /nfs/dbraw/zinc/52/18/63/974521863.db2.gz KIXFYXXEALHVCN-CYBMUJFWSA-N 1 0 209.333 2.051 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[NH2+]CCS ZINC001172323006 974533966 /nfs/dbraw/zinc/53/39/66/974533966.db2.gz ZXYNOUDDTJVKGT-ZJUUUORDSA-N 1 0 205.367 2.100 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2COC(C)(C)C2)N=N1 ZINC001172279889 974540163 /nfs/dbraw/zinc/54/01/63/974540163.db2.gz LZMMWQXKSRLUIF-NSHDSACASA-N 1 0 235.331 2.109 20 30 BEEDRO CC1(C)C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CO1 ZINC001172288887 974554284 /nfs/dbraw/zinc/55/42/84/974554284.db2.gz NGBYVKNMZGGUFJ-FVCCEPFGSA-N 1 0 234.343 2.320 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)n1ccnc1C[NH3+] ZINC001172289371 974556208 /nfs/dbraw/zinc/55/62/08/974556208.db2.gz CQKDRFXULSDKGJ-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO CSCC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172290610 974557132 /nfs/dbraw/zinc/55/71/32/974557132.db2.gz QWSYKVZHVKSDPG-NSHDSACASA-N 1 0 234.368 2.442 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(OC)CCC1)C(C)(C)C ZINC001331075782 974591131 /nfs/dbraw/zinc/59/11/31/974591131.db2.gz VOHYPLJVABOBPW-LLVKDONJSA-N 1 0 209.333 2.193 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1COC[C@H]1N ZINC001172346610 974614042 /nfs/dbraw/zinc/61/40/42/974614042.db2.gz KGIJCPDZMXXADD-BFHYXJOUSA-N 1 0 242.407 2.441 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]CC1(O)COC1 ZINC001172346786 974615751 /nfs/dbraw/zinc/61/57/51/974615751.db2.gz MEVXRUFRKOZCSO-CYBMUJFWSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]C1(CO)COC1 ZINC001172347166 974618910 /nfs/dbraw/zinc/61/89/10/974618910.db2.gz SKABNXFCPKCVNE-ZDUSSCGKSA-N 1 0 243.391 2.476 20 30 BEEDRO CCOCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC001172405641 974660430 /nfs/dbraw/zinc/66/04/30/974660430.db2.gz AOYBJJXSUKJXGM-LBPRGKRZSA-N 1 0 232.327 2.463 20 30 BEEDRO CC[C@H](CC(C)C)[NH+]1CCN(CCC#N)CC1 ZINC001172408542 974668565 /nfs/dbraw/zinc/66/85/65/974668565.db2.gz WARYIWRMDXXDOI-CQSZACIVSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]C[C@H](C)CC ZINC001331406537 974708792 /nfs/dbraw/zinc/70/87/92/974708792.db2.gz NWKCHPUOOJEMOW-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)CCOCC)C1 ZINC001172429568 974710209 /nfs/dbraw/zinc/71/02/09/974710209.db2.gz ARSLIQIFOIIASK-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172429519 974711624 /nfs/dbraw/zinc/71/16/24/974711624.db2.gz ZXOIGFCZZFMZMP-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]([NH3+])CC(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001331427309 974718026 /nfs/dbraw/zinc/71/80/26/974718026.db2.gz ULQXBVBMYBVXIR-SECBINFHSA-N 1 0 243.310 2.111 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]CC(C)C ZINC001331458273 974728692 /nfs/dbraw/zinc/72/86/92/974728692.db2.gz JVZMYWMZLVINDB-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@@H](C)[NH2+]CC(C)C ZINC001331458272 974729232 /nfs/dbraw/zinc/72/92/32/974729232.db2.gz JVZMYWMZLVINDB-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](F)CC ZINC001331532795 974751310 /nfs/dbraw/zinc/75/13/10/974751310.db2.gz ICLDYGIAXQSHRW-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C#CCN1CC[NH+]([C@H](CC)CC(C)C)CC1 ZINC001172402169 974764232 /nfs/dbraw/zinc/76/42/32/974764232.db2.gz JTJXTSPMTPFLAE-CQSZACIVSA-N 1 0 222.376 2.062 20 30 BEEDRO Cc1nocc1C[NH2+][C@H](C)CCCC#N ZINC001172475730 974773027 /nfs/dbraw/zinc/77/30/27/974773027.db2.gz AKOCIOMSUNXPET-SECBINFHSA-N 1 0 207.277 2.155 20 30 BEEDRO COC[C@@H]([NH2+][C@H](C)CCCC#N)C(C)C ZINC001172477232 974774381 /nfs/dbraw/zinc/77/43/81/974774381.db2.gz XHQCKBAIFIWBQD-VXGBXAGGSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@@H]([NH3+])c1nccn1[C@@H](C)CCCC#N ZINC001172477265 974774813 /nfs/dbraw/zinc/77/48/13/974774813.db2.gz YBXBOISDRORDNI-VHSXEESVSA-N 1 0 206.293 2.158 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccncc1F ZINC001172478240 974776801 /nfs/dbraw/zinc/77/68/01/974776801.db2.gz DMJRVXFPIOMQBF-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO COc1ccnc(C[NH2+][C@H](C)CCCC#N)c1 ZINC001172479094 974777967 /nfs/dbraw/zinc/77/79/67/974777967.db2.gz JCFUOSUEIGKCTQ-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO CC(C)N1CC[C@@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172480423 974779034 /nfs/dbraw/zinc/77/90/34/974779034.db2.gz UFHUURSUNZIOLR-CHWSQXEVSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@H](CCCC#N)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172479397 974779843 /nfs/dbraw/zinc/77/98/43/974779843.db2.gz LIRLZIMOJWGWDD-LLVKDONJSA-N 1 0 240.310 2.346 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ncccc1F ZINC001172480305 974780077 /nfs/dbraw/zinc/78/00/77/974780077.db2.gz OMXNWJZKNVGFFA-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(CC)CC ZINC001331645052 974780406 /nfs/dbraw/zinc/78/04/06/974780406.db2.gz URKPBEVJIHZXHV-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO CCCC[C@H](CO)[NH2+][C@H](C)CCCC#N ZINC001172480957 974780873 /nfs/dbraw/zinc/78/08/73/974780873.db2.gz YKJGYZFCDVVLJZ-VXGBXAGGSA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccco1 ZINC001172481196 974781091 /nfs/dbraw/zinc/78/10/91/974781091.db2.gz QLPYUWAZDUWEQL-NSHDSACASA-N 1 0 206.289 2.494 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCCCCCO ZINC001172481512 974781799 /nfs/dbraw/zinc/78/17/99/974781799.db2.gz VLZJPHXXAJQWOR-LBPRGKRZSA-N 1 0 212.337 2.211 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC001172482053 974783578 /nfs/dbraw/zinc/78/35/78/974783578.db2.gz BIGOPIOBCGTQQW-SMDDNHRTSA-N 1 0 248.326 2.098 20 30 BEEDRO CCOC(CC[NH2+][C@H](C)CCCC#N)OCC ZINC001172482156 974784337 /nfs/dbraw/zinc/78/43/37/974784337.db2.gz BZYXQMZFDBKDJW-GFCCVEGCSA-N 1 0 242.363 2.448 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1cncnc1 ZINC001172482277 974785117 /nfs/dbraw/zinc/78/51/17/974785117.db2.gz DQIKGDNJPMAWLF-MNOVXSKESA-N 1 0 218.304 2.210 20 30 BEEDRO CC(C)OCCC[NH2+][C@@H](C)CCCC#N ZINC001172483301 974785697 /nfs/dbraw/zinc/78/56/97/974785697.db2.gz OLAXMOAYBJYWSM-LBPRGKRZSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccnc(F)c1 ZINC001172484367 974788183 /nfs/dbraw/zinc/78/81/83/974788183.db2.gz DKJGEGSEFBLSGG-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1nccc(Cl)n1 ZINC001172484332 974788841 /nfs/dbraw/zinc/78/88/41/974788841.db2.gz CUXIIOZMTSHHRM-SECBINFHSA-N 1 0 238.722 2.302 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1cnccn1 ZINC001172486685 974790461 /nfs/dbraw/zinc/79/04/61/974790461.db2.gz CSWXMGZTTVFWKP-GHMZBOCLSA-N 1 0 218.304 2.210 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1(c2cnccn2)CC1 ZINC001172486235 974790493 /nfs/dbraw/zinc/79/04/93/974790493.db2.gz CLOSSXHTAMDHHG-NSHDSACASA-N 1 0 230.315 2.138 20 30 BEEDRO CCC[C@@H](CCO)[NH2+][C@H](C)CCCC#N ZINC001172486281 974790975 /nfs/dbraw/zinc/79/09/75/974790975.db2.gz ARVMWIQAKNTQMN-NEPJUHHUSA-N 1 0 212.337 2.209 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC001172440059 974795057 /nfs/dbraw/zinc/79/50/57/974795057.db2.gz GIDJAGWUSTWMFT-NSHDSACASA-N 1 0 236.315 2.444 20 30 BEEDRO Cc1cc(NN=Cc2cccn2C2CC2)cc[nH+]1 ZINC001331723549 974803198 /nfs/dbraw/zinc/80/31/98/974803198.db2.gz VEKNBRYJXONYHT-UHFFFAOYSA-N 1 0 240.310 2.394 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](OC)[C@H](C)CC)C1 ZINC001331727805 974805940 /nfs/dbraw/zinc/80/59/40/974805940.db2.gz IRVSEGCTJAWPER-MCIONIFRSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001331741100 974810145 /nfs/dbraw/zinc/81/01/45/974810145.db2.gz HQFZGJUWCHBVCK-UWVGGRQHSA-N 1 0 223.345 2.373 20 30 BEEDRO C=CCC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)F ZINC001277106330 974821391 /nfs/dbraw/zinc/82/13/91/974821391.db2.gz DFTIIPDMJJUMFY-NSHDSACASA-N 1 0 244.354 2.185 20 30 BEEDRO CC(C)CN1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172488717 974833014 /nfs/dbraw/zinc/83/30/14/974833014.db2.gz ODXPWJFFHWLERS-KGLIPLIRSA-N 1 0 237.391 2.389 20 30 BEEDRO COC(=O)CCCC[NH2+][C@H](C)CCCC#N ZINC001172488368 974833094 /nfs/dbraw/zinc/83/30/94/974833094.db2.gz MBFLJTNJIXLYOB-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCO[C@H]1CCCCO1 ZINC001172489772 974834719 /nfs/dbraw/zinc/83/47/19/974834719.db2.gz ZMPIGVVLCMUCHU-STQMWFEESA-N 1 0 240.347 2.202 20 30 BEEDRO COc1ccc(CC[NH2+][C@@H](C)CCCC#N)nc1 ZINC001172489822 974835045 /nfs/dbraw/zinc/83/50/45/974835045.db2.gz QUFLQMAUVQYXMC-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001172490910 974836032 /nfs/dbraw/zinc/83/60/32/974836032.db2.gz AKWUMIFLGKBXAF-QWHCGFSZSA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CC[C@H](O)CC1 ZINC001172490801 974837878 /nfs/dbraw/zinc/83/78/78/974837878.db2.gz APAQITCDTXHYLK-AVGNSLFASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC(=O)c1ccc(O)cc1 ZINC001172490943 974837954 /nfs/dbraw/zinc/83/79/54/974837954.db2.gz CHBRUBLTFRENNA-NSHDSACASA-N 1 0 246.310 2.247 20 30 BEEDRO COCC1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172492213 974838604 /nfs/dbraw/zinc/83/86/04/974838604.db2.gz JNWFEGHLPKKPOI-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H](CO)CC[C@H]1C ZINC001172492390 974839611 /nfs/dbraw/zinc/83/96/11/974839611.db2.gz KVVXAOIMHFWJAR-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cnn(CCF)c1 ZINC001172491824 974840518 /nfs/dbraw/zinc/84/05/18/974840518.db2.gz JVDSSLPJVUDHLE-LLVKDONJSA-N 1 0 238.310 2.025 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001172493892 974841850 /nfs/dbraw/zinc/84/18/50/974841850.db2.gz OXRNMINCUVUWGQ-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C1CC(C)(C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)C1 ZINC001331866169 974843713 /nfs/dbraw/zinc/84/37/13/974843713.db2.gz LLJWQIVMOUGCFM-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@@H](C)C1 ZINC001172494667 974845412 /nfs/dbraw/zinc/84/54/12/974845412.db2.gz XADSXOZRIQAFCA-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001172494409 974845778 /nfs/dbraw/zinc/84/57/78/974845778.db2.gz UDYDDLXAWRZMLT-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO COC[C@H]1CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172494458 974846170 /nfs/dbraw/zinc/84/61/70/974846170.db2.gz UYQGPFUUJAVXNV-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ncc(C[N@@H+](C)[C@H](C)CCCC#N)cn1 ZINC001172498144 974847075 /nfs/dbraw/zinc/84/70/75/974847075.db2.gz JFUJFWPVDYCTQB-LLVKDONJSA-N 1 0 232.331 2.299 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001172496841 974847170 /nfs/dbraw/zinc/84/71/70/974847170.db2.gz SABWVEIWDAJEDC-NOOOWODRSA-N 1 0 210.296 2.359 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001172499388 974850342 /nfs/dbraw/zinc/85/03/42/974850342.db2.gz WOPZIDVEJMARCD-RYUDHWBXSA-N 1 0 224.348 2.304 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCOCC12CCC2 ZINC001172501741 974853402 /nfs/dbraw/zinc/85/34/02/974853402.db2.gz RDWWXQQYNZGDAY-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001172500360 974854751 /nfs/dbraw/zinc/85/47/51/974854751.db2.gz MVLJCBZCIMHSQG-SRVKXCTJSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001172500331 974854980 /nfs/dbraw/zinc/85/49/80/974854980.db2.gz MCVKITYGVYAMKI-LLVKDONJSA-N 1 0 222.332 2.370 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172502798 974857231 /nfs/dbraw/zinc/85/72/31/974857231.db2.gz XBCZTYVRMOCVPS-WCQYABFASA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@@H](CCCC#N)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001172503729 974857885 /nfs/dbraw/zinc/85/78/85/974857885.db2.gz BYLXYPKGRTWPLB-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)[C@H]1CCCOC1 ZINC001172506526 974858884 /nfs/dbraw/zinc/85/88/84/974858884.db2.gz VOPACHSFHFHNTD-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CCCCCCCC[C@@H](CC)[NH2+]C(CO)CO ZINC001172506656 974859419 /nfs/dbraw/zinc/85/94/19/974859419.db2.gz YLIDUHWHOPDFPR-CYBMUJFWSA-N 1 0 245.407 2.458 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCCC12COC2 ZINC001172506852 974860388 /nfs/dbraw/zinc/86/03/88/974860388.db2.gz KWHBWTRVQVQOTO-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO C[C@H](CCCC#N)N1CC[NH+](C(C)(C)C)CC1 ZINC001172507462 974863641 /nfs/dbraw/zinc/86/36/41/974863641.db2.gz VADNOPMUVNPZQW-CYBMUJFWSA-N 1 0 237.391 2.485 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(C#N)s1 ZINC001331944215 974880027 /nfs/dbraw/zinc/88/00/27/974880027.db2.gz VBMOBVQLXLAHLH-UHFFFAOYSA-N 1 0 223.301 2.274 20 30 BEEDRO C[C@@H]([NH2+]C1(C)CC1)c1cc(C#N)ccn1 ZINC001331965390 974895847 /nfs/dbraw/zinc/89/58/47/974895847.db2.gz NTMZCLNAZVVULX-SECBINFHSA-N 1 0 201.273 2.156 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC(=C)C)C1 ZINC001331992820 974911562 /nfs/dbraw/zinc/91/15/62/974911562.db2.gz UNGLXXDHDHDATA-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCCC#N ZINC001172744046 974919815 /nfs/dbraw/zinc/91/98/15/974919815.db2.gz MZBFQGAWCIVANH-LLVKDONJSA-N 1 0 226.320 2.000 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC#N)CC1 ZINC001172797175 974951614 /nfs/dbraw/zinc/95/16/14/974951614.db2.gz GYDUUULSPFDJFA-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC001172924955 974971031 /nfs/dbraw/zinc/97/10/31/974971031.db2.gz BNOAJUDNKBCPOK-WDEREUQCSA-N 1 0 234.299 2.198 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H](OC)C2)C1 ZINC001172937592 974991620 /nfs/dbraw/zinc/99/16/20/974991620.db2.gz AWFVNBSMWRGOOK-RDBSUJKOSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173041121 975013111 /nfs/dbraw/zinc/01/31/11/975013111.db2.gz BISXXTSELKUFFM-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C=CCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173124801 975035128 /nfs/dbraw/zinc/03/51/28/975035128.db2.gz UNHKKHNTTMFDGM-VIFPVBQESA-N 1 0 208.330 2.166 20 30 BEEDRO CC(C)(S)C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173130319 975038278 /nfs/dbraw/zinc/03/82/78/975038278.db2.gz WDEIMJJPRSXPDH-QMMMGPOBSA-N 1 0 242.413 2.298 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1COc2cccc(OC)c2C1 ZINC001173160132 975049980 /nfs/dbraw/zinc/04/99/80/975049980.db2.gz HUIWOKKNJKOGHI-LLVKDONJSA-N 1 0 233.311 2.117 20 30 BEEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCS ZINC001173211149 975076797 /nfs/dbraw/zinc/07/67/97/975076797.db2.gz PXSVCGDEFFKREY-SECBINFHSA-N 1 0 240.328 2.045 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232677 975078684 /nfs/dbraw/zinc/07/86/84/975078684.db2.gz FMRLWQPQPZPJRO-JTQLQIEISA-N 1 0 220.272 2.301 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cc(OC)ccc2C#N)C1 ZINC001226792185 975087446 /nfs/dbraw/zinc/08/74/46/975087446.db2.gz YQUQWZUKBKMIJZ-ZDUSSCGKSA-N 1 0 246.310 2.040 20 30 BEEDRO COc1ccc(C#N)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001226797694 975090509 /nfs/dbraw/zinc/09/05/09/975090509.db2.gz PCDQUSOJZXXLOW-LLVKDONJSA-N 1 0 249.334 2.040 20 30 BEEDRO CC[C@@H]1CC[C@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001173269215 975141211 /nfs/dbraw/zinc/14/12/11/975141211.db2.gz GRZVNEVKTFWAPG-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001095084558 975164062 /nfs/dbraw/zinc/16/40/62/975164062.db2.gz UPTSPOGQJPCXCL-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC001173308920 975214685 /nfs/dbraw/zinc/21/46/85/975214685.db2.gz PJOZNPCQAWACGR-YIFLHPOLSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCOC1CCC([NH2+]CCCCCO)CC1 ZINC001173308267 975218164 /nfs/dbraw/zinc/21/81/64/975218164.db2.gz FHCDHDJJNNPDIU-UHFFFAOYSA-N 1 0 241.375 2.252 20 30 BEEDRO CN1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173324264 975271778 /nfs/dbraw/zinc/27/17/78/975271778.db2.gz KWJATLPURONDEN-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCC1CCC(n2cncc2CC[NH3+])CC1 ZINC001173323813 975272346 /nfs/dbraw/zinc/27/23/46/975272346.db2.gz AWUNEFWWPLYPJD-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ncccn2)CC1 ZINC001173324884 975274658 /nfs/dbraw/zinc/27/46/58/975274658.db2.gz WZEUICHEYHCJBT-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO N#CCC1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC001173324951 975275333 /nfs/dbraw/zinc/27/53/33/975275333.db2.gz BCDHMZGUGKOYQE-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCOC1CCC(N2CCCC(=O)C2)CC1 ZINC001173327818 975277084 /nfs/dbraw/zinc/27/70/84/975277084.db2.gz SZRMKQNHXXKCHV-UHFFFAOYSA-N 1 0 237.343 2.165 20 30 BEEDRO Cc1cnc(C[NH3+])n1C1CCC(CC#N)CC1 ZINC001173330108 975279689 /nfs/dbraw/zinc/27/96/89/975279689.db2.gz UBLTWVPMNQJLID-UHFFFAOYSA-N 1 0 232.331 2.295 20 30 BEEDRO CCN1CC[N@@H+](C2CCC(CC#N)CC2)C[C@H]1C ZINC001173339263 975283670 /nfs/dbraw/zinc/28/36/70/975283670.db2.gz NFAHWOMGRIFXGH-WLYUNCDWSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC001332868595 975301507 /nfs/dbraw/zinc/30/15/07/975301507.db2.gz PDNNUKJUFLSVQY-KGLIPLIRSA-N 1 0 241.375 2.182 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@]2(C)CCOC2)CC1 ZINC001173318228 975307694 /nfs/dbraw/zinc/30/76/94/975307694.db2.gz XUCXIFJDQSESEJ-RUXDESIVSA-N 1 0 239.359 2.269 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@](C)(CC)OC ZINC001332977493 975355067 /nfs/dbraw/zinc/35/50/67/975355067.db2.gz ZEYLVKQXPGJUCN-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO CC[NH+]1CCC(Oc2cnc(C#N)c(C)c2)CC1 ZINC001227348003 975368037 /nfs/dbraw/zinc/36/80/37/975368037.db2.gz SSTNREFRDOVSHS-UHFFFAOYSA-N 1 0 245.326 2.125 20 30 BEEDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)cnc1C#N ZINC001227345792 975368748 /nfs/dbraw/zinc/36/87/48/975368748.db2.gz DSFBJZBWJKRJEC-GFCCVEGCSA-N 1 0 245.326 2.125 20 30 BEEDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)cnc1C#N ZINC001227348732 975369048 /nfs/dbraw/zinc/36/90/48/975369048.db2.gz BGQPSYBNOFXTHW-GFCCVEGCSA-N 1 0 245.326 2.123 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476951 975383357 /nfs/dbraw/zinc/38/33/57/975383357.db2.gz FBGAXNOCWIZCLE-MRVPVSSYSA-N 1 0 221.250 2.043 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+][C@@H](C)CC#N ZINC001173444645 975383909 /nfs/dbraw/zinc/38/39/09/975383909.db2.gz MAVVWFWQANGSJT-QWRGUYRKSA-N 1 0 226.320 2.000 20 30 BEEDRO C#CCC[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173478314 975385675 /nfs/dbraw/zinc/38/56/75/975385675.db2.gz OLUXYDAQNHVTNX-UHFFFAOYSA-N 1 0 221.250 2.045 20 30 BEEDRO Cc1c(O)cccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001227428571 975398234 /nfs/dbraw/zinc/39/82/34/975398234.db2.gz OKBVEEKWAVPEJA-GFCCVEGCSA-O 1 0 249.334 2.068 20 30 BEEDRO 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C[C@H](C#N)N(C)Cc1cc(F)cc(C[NH+](C)C)c1 ZINC001232152424 977897019 /nfs/dbraw/zinc/89/70/19/977897019.db2.gz XPHWUTWXYYFAIF-LLVKDONJSA-N 1 0 249.333 2.231 20 30 BEEDRO Cc1cc(Nc2cc(C#N)ccn2)cc(C)[nH+]1 ZINC001176052229 977899449 /nfs/dbraw/zinc/89/94/49/977899449.db2.gz PKKNDXSFFCIASL-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cnc(Nc2cc(C)[nH+]c(C)c2)c(C#N)c1 ZINC001176053954 977905295 /nfs/dbraw/zinc/90/52/95/977905295.db2.gz MRXXVNUOZWAMMW-UHFFFAOYSA-N 1 0 238.294 2.439 20 30 BEEDRO Cc1cc(Nc2ccc(C#N)nc2)cc(C)[nH+]1 ZINC001176054636 977905697 /nfs/dbraw/zinc/90/56/97/977905697.db2.gz JWFOFSLJLGSRLL-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cc(Nc2ccc(O)c(C#N)c2)cc(C)[nH+]1 ZINC001176057938 977908457 /nfs/dbraw/zinc/90/84/57/977908457.db2.gz TZFLJYQPCDKFIZ-UHFFFAOYSA-N 1 0 239.278 2.441 20 30 BEEDRO Cc1cc(Nc2ccc(C#N)cc2O)cc(C)[nH+]1 ZINC001176056880 977908668 /nfs/dbraw/zinc/90/86/68/977908668.db2.gz GMGRXAUJJDWISU-UHFFFAOYSA-N 1 0 239.278 2.441 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC2(OC)CCC2)C1 ZINC001336754681 977921799 /nfs/dbraw/zinc/92/17/99/977921799.db2.gz LCKFBKXTBKYVNC-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO CC1CC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)C1 ZINC001336755245 977923157 /nfs/dbraw/zinc/92/31/57/977923157.db2.gz QFPCNLQBGCPLHW-XWFMALBVSA-N 1 0 226.323 2.414 20 30 BEEDRO C=CCC[C@H]1CCCN1c1ccnc(N(C)C)n1 ZINC001336768626 977938532 /nfs/dbraw/zinc/93/85/32/977938532.db2.gz RSIOIQJPUUZULU-LBPRGKRZSA-N 1 0 246.358 2.478 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC(C)(C)C1(C)C ZINC001336769793 977938569 /nfs/dbraw/zinc/93/85/69/977938569.db2.gz DHCSQPXNTQHQIU-SNVBAGLBSA-N 1 0 225.332 2.225 20 30 BEEDRO COc1ccncc1Nc1cc(C#N)ccc1O ZINC001176122853 977955283 /nfs/dbraw/zinc/95/52/83/977955283.db2.gz JWJBHTFTGHIOEP-UHFFFAOYSA-N 1 0 241.250 2.411 20 30 BEEDRO COc1ccncc1Nc1ccc(O)cc1C#N ZINC001176124468 977958027 /nfs/dbraw/zinc/95/80/27/977958027.db2.gz OPSZJCXKKNFJAH-UHFFFAOYSA-N 1 0 241.250 2.411 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)nc2C)C1 ZINC001232336316 978009402 /nfs/dbraw/zinc/00/94/02/978009402.db2.gz NJPVEWATEXKBTB-ZDUSSCGKSA-N 1 0 244.338 2.244 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnc(OC)cc1C ZINC001232352905 978033156 /nfs/dbraw/zinc/03/31/56/978033156.db2.gz VXJQHLXMZPLVRV-UHFFFAOYSA-N 1 0 206.289 2.016 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2Nc1cc[nH+]cc1 ZINC001336909343 978047530 /nfs/dbraw/zinc/04/75/30/978047530.db2.gz MKUXWUUNXVEWHU-HNNXBMFYSA-N 1 0 235.290 2.475 20 30 BEEDRO N#Cc1ccnc(C[N@@H+]2CCCC23CC3)c1 ZINC001232474610 978122554 /nfs/dbraw/zinc/12/25/54/978122554.db2.gz HBBYUQRFWUMNLH-UHFFFAOYSA-N 1 0 213.284 2.082 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232478836 978130946 /nfs/dbraw/zinc/13/09/46/978130946.db2.gz XLFICAWSWVEZIX-JTQLQIEISA-N 1 0 203.289 2.184 20 30 BEEDRO N#Cc1ccnc(C[N@@H+]2CC3CCC2CC3)c1 ZINC001232479124 978130962 /nfs/dbraw/zinc/13/09/62/978130962.db2.gz MRSNARJTPBKYPV-UHFFFAOYSA-N 1 0 227.311 2.328 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C#N)ccn1 ZINC001232479259 978131016 /nfs/dbraw/zinc/13/10/16/978131016.db2.gz OXOLMNUKSCBROV-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO C=C(C)CCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC001337127683 978178610 /nfs/dbraw/zinc/17/86/10/978178610.db2.gz QQSUFXGEXQFHBB-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1ccn(C)n1 ZINC001176771057 978182715 /nfs/dbraw/zinc/18/27/15/978182715.db2.gz DXJJULDVCFBGPW-CYBMUJFWSA-N 1 0 219.332 2.351 20 30 BEEDRO C[C@H](OCC[NH+](C)C)c1ccccc1C#N ZINC001206286000 978232723 /nfs/dbraw/zinc/23/27/23/978232723.db2.gz GWYMXZGKNWOOJA-NSHDSACASA-N 1 0 218.300 2.197 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@]12CCC[C@H]1OCC2 ZINC001176990177 978267564 /nfs/dbraw/zinc/26/75/64/978267564.db2.gz DOULWCYWKBLTKM-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(CCO)cc2)C1 ZINC001232776653 978271367 /nfs/dbraw/zinc/27/13/67/978271367.db2.gz IUABWTDNNQIRLC-AWEZNQCLSA-N 1 0 243.350 2.067 20 30 BEEDRO Cc1ccc(C#N)nc1NC[C@@H]1CCCC[N@H+]1C ZINC001337307524 978275544 /nfs/dbraw/zinc/27/55/44/978275544.db2.gz VAASGVGJIXYDCL-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001232842152 978308183 /nfs/dbraw/zinc/30/81/83/978308183.db2.gz KWOCWLYQECEAHK-SNVBAGLBSA-N 1 0 236.340 2.231 20 30 BEEDRO CC(C)[N@H+](CCCO)Cc1ccc(C#N)s1 ZINC001232844283 978308536 /nfs/dbraw/zinc/30/85/36/978308536.db2.gz VSFWNNABQVHPKJ-UHFFFAOYSA-N 1 0 238.356 2.213 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC3(COC3)CC2)s1 ZINC001232842289 978309248 /nfs/dbraw/zinc/30/92/48/978309248.db2.gz VQMXHLHEFSCBHC-UHFFFAOYSA-N 1 0 248.351 2.232 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232840473 978311420 /nfs/dbraw/zinc/31/14/20/978311420.db2.gz XVYWSBZFKSEUMD-UHFFFAOYSA-N 1 0 220.316 2.076 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001597313110 978318096 /nfs/dbraw/zinc/31/80/96/978318096.db2.gz JZGOVOSWAJXOGJ-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1ccc(CN2CCC[N@@H+](C)CC2)c(C#N)c1 ZINC001232962301 978358691 /nfs/dbraw/zinc/35/86/91/978358691.db2.gz LZUKFXZKRORYQY-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c(C#N)c1 ZINC001232965990 978363527 /nfs/dbraw/zinc/36/35/27/978363527.db2.gz COZZNDZSMWZXNX-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO CC[NH+]1CCN(Cc2ccc(C)cc2C#N)CC1 ZINC001232961668 978363981 /nfs/dbraw/zinc/36/39/81/978363981.db2.gz CANBFORCGBDPBU-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C)cc2C#N)CC1 ZINC001232961867 978364706 /nfs/dbraw/zinc/36/47/06/978364706.db2.gz GYYSJFVVVLQPML-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CCC[NH2+]CCCCCCNC(=O)C1CC1 ZINC001177721707 978414491 /nfs/dbraw/zinc/41/44/91/978414491.db2.gz RRMCJUBWEVMORH-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO N#Cc1cc[nH]c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001233045687 978427473 /nfs/dbraw/zinc/42/74/73/978427473.db2.gz HLLGCVUUOOCNHJ-VXGBXAGGSA-N 1 0 215.300 2.118 20 30 BEEDRO CO[C@@H](C)C1C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC001233083738 978465141 /nfs/dbraw/zinc/46/51/41/978465141.db2.gz YXSIVVIXGHRMSG-LBPRGKRZSA-N 1 0 244.338 2.333 20 30 BEEDRO C#CCC[NH2+][C@H](C)CN(C)C(=O)CCCCC ZINC001277760818 978470928 /nfs/dbraw/zinc/47/09/28/978470928.db2.gz YSKATQUZFHPULE-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001337728281 978473260 /nfs/dbraw/zinc/47/32/60/978473260.db2.gz RJEQKHCXNLPHCB-ZDUSSCGKSA-N 1 0 233.311 2.169 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC001337728624 978474373 /nfs/dbraw/zinc/47/43/73/978474373.db2.gz VSWNQHYGOHEWFL-LBPRGKRZSA-N 1 0 207.273 2.057 20 30 BEEDRO C=CCN1CCN(Cc2cnc(C)c(C)c2)CC1 ZINC001233164153 978483955 /nfs/dbraw/zinc/48/39/55/978483955.db2.gz SEBRJDJDBIYVHK-UHFFFAOYSA-N 1 0 245.370 2.002 20 30 BEEDRO C#Cc1ccc(N2CCC[C@H]([NH2+]C(C)C)C2)nc1 ZINC001337756472 978484426 /nfs/dbraw/zinc/48/44/26/978484426.db2.gz FSEFJSYYKVDTJH-AWEZNQCLSA-N 1 0 243.354 2.030 20 30 BEEDRO C=CCCC(=O)NCCCCCC[NH2+]CCF ZINC001178007408 978487216 /nfs/dbraw/zinc/48/72/16/978487216.db2.gz DIHPOYRNOWRXSE-UHFFFAOYSA-N 1 0 244.354 2.188 20 30 BEEDRO Cc1c[nH]c(=O)c(C[NH+]2CCC(C)(C#N)CC2)c1 ZINC001233195476 978495069 /nfs/dbraw/zinc/49/50/69/978495069.db2.gz LGXIQKCEUAOAPI-UHFFFAOYSA-N 1 0 245.326 2.221 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)cc1O ZINC001233231282 978501294 /nfs/dbraw/zinc/50/12/94/978501294.db2.gz RDWPWJOHVDCTRB-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCC)[C@H]1C ZINC001178139685 978513342 /nfs/dbraw/zinc/51/33/42/978513342.db2.gz LVGKJBZPMWRTOW-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CCCC)[C@@H]1C ZINC001178312419 978548291 /nfs/dbraw/zinc/54/82/91/978548291.db2.gz ZROOVTFJEHACDO-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)[C@H]1C ZINC001178462544 978569880 /nfs/dbraw/zinc/56/98/80/978569880.db2.gz CLJBHVIYNKVGCL-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2scnc2c1 ZINC001178590022 978589342 /nfs/dbraw/zinc/58/93/42/978589342.db2.gz VTWAZWMUINTBLU-LLVKDONJSA-N 1 0 248.351 2.323 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)/C=C(/C)CC)[C@H]1C ZINC001178632045 978602114 /nfs/dbraw/zinc/60/21/14/978602114.db2.gz BRVQGLSEZVUGGC-XOFVUTBISA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233500506 978615962 /nfs/dbraw/zinc/61/59/62/978615962.db2.gz JSXWASUFIDKCPS-NPQIQWPPSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H]1C ZINC001233501088 978616982 /nfs/dbraw/zinc/61/69/82/978616982.db2.gz HPHDTZRNIZAJPT-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001338168766 978624896 /nfs/dbraw/zinc/62/48/96/978624896.db2.gz VHFWHXSCMBPNIH-STQMWFEESA-N 1 0 247.338 2.343 20 30 BEEDRO C=CCc1ccc(O[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001233596275 978642868 /nfs/dbraw/zinc/64/28/68/978642868.db2.gz XCSAOUCKNILFJZ-CQSZACIVSA-N 1 0 217.312 2.498 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC001338319822 978657347 /nfs/dbraw/zinc/65/73/47/978657347.db2.gz MJOGJAOQOUWJTK-QWHCGFSZSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)CCCF ZINC001179269175 978684036 /nfs/dbraw/zinc/68/40/36/978684036.db2.gz GHUIBZYYJNBYOS-UHFFFAOYSA-N 1 0 244.354 2.188 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Cl)cc1 ZINC001338503931 978698834 /nfs/dbraw/zinc/69/88/34/978698834.db2.gz DLJQABHXOULHDC-ZIAGYGMSSA-N 1 0 249.741 2.375 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@H](C)CC ZINC001233926983 978732301 /nfs/dbraw/zinc/73/23/01/978732301.db2.gz UNBNPDTWTIPASQ-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1cc[nH]c1 ZINC001277827495 978763586 /nfs/dbraw/zinc/76/35/86/978763586.db2.gz XDURBALRRUEVOS-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234128150 978782089 /nfs/dbraw/zinc/78/20/89/978782089.db2.gz ATDMIBGQIWSZPC-XSNHNAGMSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCCCCCN1C[C@H](F)C[C@H]([NH3+])C1 ZINC001206405371 978793960 /nfs/dbraw/zinc/79/39/60/978793960.db2.gz QCOMNMIIJALBNF-OLZOCXBDSA-N 1 0 228.355 2.494 20 30 BEEDRO C[C@@H](CS)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234425982 978835038 /nfs/dbraw/zinc/83/50/38/978835038.db2.gz ZLXBJYJWUYITSQ-JTQLQIEISA-N 1 0 237.368 2.372 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CC[N@H+]1CC ZINC001234555487 978860323 /nfs/dbraw/zinc/86/03/23/978860323.db2.gz VIBILMDQMMUWFO-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CCc1cccnc1O[C@H](CC#N)C[N+](C)(C)C ZINC001234578829 978862683 /nfs/dbraw/zinc/86/26/83/978862683.db2.gz OQKVKGFRRUPLMD-CYBMUJFWSA-N 1 0 248.350 2.011 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC(=C)C ZINC001234593791 978867985 /nfs/dbraw/zinc/86/79/85/978867985.db2.gz JZWOXDZMVFTYNB-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CN(C(=O)CCC)C[C@H]1C ZINC001180407077 978879939 /nfs/dbraw/zinc/87/99/39/978879939.db2.gz DHFSFAJJNNFOCL-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001234636313 978880732 /nfs/dbraw/zinc/88/07/32/978880732.db2.gz WLXCDZTWKSMYDT-GFCCVEGCSA-N 1 0 232.331 2.152 20 30 BEEDRO C[C@H](CC#N)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC001339715729 978894498 /nfs/dbraw/zinc/89/44/98/978894498.db2.gz QCXIBUUTYCWJFF-ZJUUUORDSA-N 1 0 231.299 2.195 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001180714829 978931118 /nfs/dbraw/zinc/93/11/18/978931118.db2.gz ZVSZQZXSCABXSU-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278697 978933356 /nfs/dbraw/zinc/93/33/56/978933356.db2.gz IRWLSEVAWNNLFX-LLVKDONJSA-N 1 0 246.310 2.223 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)/C(C)=C\CC ZINC001234941443 978935341 /nfs/dbraw/zinc/93/53/41/978935341.db2.gz FAWMJWBWTNCLCD-JYRVWZFOSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](C)C1 ZINC001339922613 978940547 /nfs/dbraw/zinc/94/05/47/978940547.db2.gz JMIMQOUKJTULEK-AVGNSLFASA-N 1 0 238.375 2.365 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(-c2nnc(C)o2)cc1 ZINC001235053620 978964646 /nfs/dbraw/zinc/96/46/46/978964646.db2.gz DZPBZHWFSQDAJK-UHFFFAOYSA-N 1 0 241.294 2.110 20 30 BEEDRO C=C[C@@H](C)NC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001340079946 978965500 /nfs/dbraw/zinc/96/55/00/978965500.db2.gz RAANIZDKTUCZDM-YPMHNXCESA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001180931095 978967885 /nfs/dbraw/zinc/96/78/85/978967885.db2.gz OHBJAYNBATUPDU-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO CCCCCCCN1CCCC12C[NH2+]C2 ZINC001235094344 978973382 /nfs/dbraw/zinc/97/33/82/978973382.db2.gz KZWXOZXSZPBUDU-UHFFFAOYSA-N 1 0 210.365 2.395 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001180987066 978988034 /nfs/dbraw/zinc/98/80/34/978988034.db2.gz MUKJHAKCOAKNHB-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCCN1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235187947 978993430 /nfs/dbraw/zinc/99/34/30/978993430.db2.gz JKCIVLBXKBRMMJ-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C(=O)OC)ccn1 ZINC001235208591 978997475 /nfs/dbraw/zinc/99/74/75/978997475.db2.gz DSSMDMUQHBDRNL-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc2cccc(F)c2[nH]1 ZINC001235244943 979001844 /nfs/dbraw/zinc/00/18/44/979001844.db2.gz FBHYRJQYWFBORK-UHFFFAOYSA-N 1 0 216.259 2.372 20 30 BEEDRO CCCCCCCCN1CC[NH2+][C@H]2C[C@H]21 ZINC001235283856 979016542 /nfs/dbraw/zinc/01/65/42/979016542.db2.gz HYOHAJMEEUSAJE-QWHCGFSZSA-N 1 0 210.365 2.393 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(CC)n2)CC1 ZINC001235262694 979014158 /nfs/dbraw/zinc/01/41/58/979014158.db2.gz FVOJKBHJMOVCCT-UHFFFAOYSA-N 1 0 228.339 2.489 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC[NH2+][C@@H]3C[C@@H]32)CC1 ZINC001235285245 979017100 /nfs/dbraw/zinc/01/71/00/979017100.db2.gz QVNICHHFIUYPPM-KFWWJZLASA-N 1 0 232.371 2.335 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)CC1(C)C ZINC001340506932 979030728 /nfs/dbraw/zinc/03/07/28/979030728.db2.gz FDBKRAWOPPQTPT-RYUDHWBXSA-N 1 0 238.375 2.317 20 30 BEEDRO N#CCCN1CCCC2(C[NH+](C3CCCC3)C2)C1 ZINC001277938855 979031110 /nfs/dbraw/zinc/03/11/10/979031110.db2.gz GTBLRCFPELXZKK-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO N#CCCN1CCC2(C[NH+](C3CCCC3)C2)CC1 ZINC001277938626 979032012 /nfs/dbraw/zinc/03/20/12/979032012.db2.gz CNVDJLJJYSBSSC-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C ZINC001340591309 979040297 /nfs/dbraw/zinc/04/02/97/979040297.db2.gz RQPRCSVMDNYSMQ-JHJVBQTASA-N 1 0 238.375 2.317 20 30 BEEDRO CCCCCCCCCN1CC[NH2+]C[C@H]1CO ZINC001235442386 979045786 /nfs/dbraw/zinc/04/57/86/979045786.db2.gz LAZGBBGZNMOBCQ-AWEZNQCLSA-N 1 0 242.407 2.003 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235511651 979059113 /nfs/dbraw/zinc/05/91/13/979059113.db2.gz KSHCUBJVDBXAIK-ZDUSSCGKSA-N 1 0 244.338 2.221 20 30 BEEDRO N#CCc1ccccc1C[N@H+]1CCCC[C@@H]1CO ZINC001235511351 979060334 /nfs/dbraw/zinc/06/03/34/979060334.db2.gz GVEPSOULPPRNBL-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCC(F)CC2)cc1 ZINC000689907784 979060676 /nfs/dbraw/zinc/06/06/76/979060676.db2.gz USIHRTIZXWRHKS-CQSZACIVSA-N 1 0 248.301 2.026 20 30 BEEDRO C[N@H+](Cc1ccccc1CC#N)CC1(C)COC1 ZINC001235523477 979063045 /nfs/dbraw/zinc/06/30/45/979063045.db2.gz RZFIUJOTFNKDPE-UHFFFAOYSA-N 1 0 244.338 2.221 20 30 BEEDRO N#CCc1ccccc1C[N@@H+]1CCCC12COC2 ZINC001235523165 979063951 /nfs/dbraw/zinc/06/39/51/979063951.db2.gz LRQQZHFCEWBEIY-UHFFFAOYSA-N 1 0 242.322 2.117 20 30 BEEDRO N#CCc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001235515318 979065345 /nfs/dbraw/zinc/06/53/45/979065345.db2.gz PGRSMTOZCNWSGF-OKILXGFUSA-N 1 0 212.296 2.204 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2ccccc2CC#N)C1 ZINC001235527773 979068145 /nfs/dbraw/zinc/06/81/45/979068145.db2.gz MBKDCOCKVFWVKS-OAHLLOKOSA-N 1 0 239.322 2.488 20 30 BEEDRO N#CCc1ccccc1CN1CC[C@H](C#N)C1 ZINC001235530111 979068505 /nfs/dbraw/zinc/06/85/05/979068505.db2.gz QMJVBDODRKOORQ-GFCCVEGCSA-N 1 0 225.295 2.098 20 30 BEEDRO N#CCc1ccccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001235529676 979070595 /nfs/dbraw/zinc/07/05/95/979070595.db2.gz ORWFZZXMDPHLAA-QKDCVEJESA-N 1 0 244.313 2.400 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001181387233 979072510 /nfs/dbraw/zinc/07/25/10/979072510.db2.gz ZHJSUBPCHRUHKM-XEVNVYFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(N)c1C ZINC001340822872 979120004 /nfs/dbraw/zinc/12/00/04/979120004.db2.gz DNTNKBSOHZTVCB-LBPRGKRZSA-N 1 0 247.342 2.199 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH2+]C[C@H]1CCC ZINC001340908132 979154949 /nfs/dbraw/zinc/15/49/49/979154949.db2.gz WSSVWUUICSYAAG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCN(C)CCc1ccc(F)cc1 ZINC001235838993 979168478 /nfs/dbraw/zinc/16/84/78/979168478.db2.gz FYIIKYPSQGZFSR-UHFFFAOYSA-N 1 0 236.334 2.076 20 30 BEEDRO CC1=CC[C@@H](CCN2CCN[C@H](C#N)C2)C1(C)C ZINC001235914380 979202600 /nfs/dbraw/zinc/20/26/00/979202600.db2.gz UIJZNAYRIRYWIN-UONOGXRCSA-N 1 0 247.386 2.166 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCCCCC[NH3+] ZINC001341166103 979258985 /nfs/dbraw/zinc/25/89/85/979258985.db2.gz LZMPNTZFVAABPF-GFCCVEGCSA-N 1 0 226.364 2.224 20 30 BEEDRO C=CCCCCCN(C1CC1)C1C[NH2+]C1 ZINC001236062632 979353245 /nfs/dbraw/zinc/35/32/45/979353245.db2.gz LNHXINPPEDEZKJ-UHFFFAOYSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CC(CC)CC ZINC001277979094 979402707 /nfs/dbraw/zinc/40/27/07/979402707.db2.gz OQDVOMIYTMUWRJ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C#Cc1cccc(CN2CC[NH2+]C[C@H]2CCC)c1 ZINC001236132862 979404741 /nfs/dbraw/zinc/40/47/41/979404741.db2.gz OXFDCCFDWRGCBW-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC001341499028 979438146 /nfs/dbraw/zinc/43/81/46/979438146.db2.gz GDXLDVPKVUHGES-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(N)c1 ZINC001341510229 979443153 /nfs/dbraw/zinc/44/31/53/979443153.db2.gz ZFITWEJVZKDJBO-CYBMUJFWSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CCCCCCCCN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236283647 979487770 /nfs/dbraw/zinc/48/77/70/979487770.db2.gz HLCLUFBJNIECGY-ZIAGYGMSSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCCCCCCN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236283645 979487914 /nfs/dbraw/zinc/48/79/14/979487914.db2.gz HLCLUFBJNIECGY-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236289455 979495471 /nfs/dbraw/zinc/49/54/71/979495471.db2.gz ZSIQNWMSNZACSD-CHWSQXEVSA-N 1 0 210.365 2.251 20 30 BEEDRO OCCC[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001236303016 979506715 /nfs/dbraw/zinc/50/67/15/979506715.db2.gz KSEHBKZNZUPIKZ-UHFFFAOYSA-N 1 0 243.350 2.133 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1O ZINC001341690166 979526885 /nfs/dbraw/zinc/52/68/85/979526885.db2.gz USRLDFMGFXTXNN-LLVKDONJSA-N 1 0 248.326 2.323 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2ncncc2C#N)c1 ZINC001236417258 979591541 /nfs/dbraw/zinc/59/15/41/979591541.db2.gz QPRQSZMIBXPTIB-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)N(C(C)C)C(C)C ZINC001183027705 979702561 /nfs/dbraw/zinc/70/25/61/979702561.db2.gz WFIDLMBQIWTUMS-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO CCN(CCC#N)Cc1c(C)cc(OC)cc1O ZINC001236814821 979744571 /nfs/dbraw/zinc/74/45/71/979744571.db2.gz WMLGLWKJERNMLV-UHFFFAOYSA-N 1 0 248.326 2.445 20 30 BEEDRO CC[C@H]([NH3+])CN(C)CCCc1cccc(C#N)c1 ZINC001236861264 979766384 /nfs/dbraw/zinc/76/63/84/979766384.db2.gz YIWHYQHOIAMSOV-HNNXBMFYSA-N 1 0 245.370 2.160 20 30 BEEDRO C#C[C@@H](CC)OC(=O)c1ccc2c[nH+]cn2c1C ZINC001342592471 979835099 /nfs/dbraw/zinc/83/50/99/979835099.db2.gz MLYZVNMZAOTSPX-LBPRGKRZSA-N 1 0 242.278 2.211 20 30 BEEDRO C#CC1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237183897 979838102 /nfs/dbraw/zinc/83/81/02/979838102.db2.gz METHLUFJQACVBW-UHFFFAOYSA-N 1 0 221.325 2.414 20 30 BEEDRO CC[NH2+][C@@H](C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001342598565 979839460 /nfs/dbraw/zinc/83/94/60/979839460.db2.gz RIBJAUMLQSHFDN-NSHDSACASA-N 1 0 245.326 2.079 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2OC=CC2=S)C1 ZINC001237190281 979842835 /nfs/dbraw/zinc/84/28/35/979842835.db2.gz HFKBOCHZGQAAIB-JTQLQIEISA-N 1 0 221.325 2.414 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccccc1OCCO ZINC001237202134 979845412 /nfs/dbraw/zinc/84/54/12/979845412.db2.gz FVMFPISUPRUOOW-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO Nc1cccc(C[NH+]2CCC(S)CC2)c1 ZINC001237222212 979853341 /nfs/dbraw/zinc/85/33/41/979853341.db2.gz IDCBDODNTHTBCN-UHFFFAOYSA-N 1 0 222.357 2.163 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC)C[C@H]1C ZINC001183651232 979861667 /nfs/dbraw/zinc/86/16/67/979861667.db2.gz ZEEITVOWRBPWTE-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO CCc1n[nH]cc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237659417 980025110 /nfs/dbraw/zinc/02/51/10/980025110.db2.gz OMFNJXJDIHWIGU-UOJUARBOSA-N 1 0 244.342 2.239 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C)CC1 ZINC001343206967 980039078 /nfs/dbraw/zinc/03/90/78/980039078.db2.gz ZIRKZJQGJXSVOQ-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO Cc1ccc(O)cc1C[NH+]1CCC(C#N)CC1 ZINC001238101605 980150362 /nfs/dbraw/zinc/15/03/62/980150362.db2.gz RBMULNKCKJFYDT-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC001185064416 980166865 /nfs/dbraw/zinc/16/68/65/980166865.db2.gz NWHNPNCKQRREER-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001185549438 980244778 /nfs/dbraw/zinc/24/47/78/980244778.db2.gz CUKFGVXOTLLPQM-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC001185931952 980307196 /nfs/dbraw/zinc/30/71/96/980307196.db2.gz JZGUVKZQNSHCML-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1cc(F)ccc1C#N ZINC001185970047 980309254 /nfs/dbraw/zinc/30/92/54/980309254.db2.gz SHAUGQRUDPJKSJ-WDEREUQCSA-N 1 0 247.317 2.226 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(OCC)ccc1C ZINC001238705768 980309827 /nfs/dbraw/zinc/30/98/27/980309827.db2.gz AEFGTJMTIJIEHY-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC001186032439 980312696 /nfs/dbraw/zinc/31/26/96/980312696.db2.gz SGLYXIMHAWYMPO-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH+](CC=C)CC1CCC(O)CC1 ZINC001344041542 980322644 /nfs/dbraw/zinc/32/26/44/980322644.db2.gz POGBFOOIPNSLBX-UHFFFAOYSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC001344043425 980325241 /nfs/dbraw/zinc/32/52/41/980325241.db2.gz DXKXFRGEXKSIPJ-LBPRGKRZSA-N 1 0 236.359 2.119 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1cccc(CC#N)n1 ZINC001344109299 980348813 /nfs/dbraw/zinc/34/88/13/980348813.db2.gz DHDRXDBLORMTPM-ZDUSSCGKSA-N 1 0 244.342 2.044 20 30 BEEDRO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)ncc1C#N ZINC001186372370 980370144 /nfs/dbraw/zinc/37/01/44/980370144.db2.gz FREDKRFNBHTFPB-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO Cc1ccc(C#N)c(C2=CCC[NH2+]CC2)n1 ZINC001238935528 980371625 /nfs/dbraw/zinc/37/16/25/980371625.db2.gz HRFYKGQUOFFYTG-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO N#Cc1cc(CC[NH+]2CCCCC2)ccc1N ZINC001250241812 980373761 /nfs/dbraw/zinc/37/37/61/980373761.db2.gz JJCBLLSKUWGWHE-UHFFFAOYSA-N 1 0 229.327 2.169 20 30 BEEDRO Cc1nc(C2=CCC[NH2+]CC2)ccc1CC#N ZINC001238940496 980378360 /nfs/dbraw/zinc/37/83/60/980378360.db2.gz NTKHCTJSXRUHPF-UHFFFAOYSA-N 1 0 227.311 2.223 20 30 BEEDRO Cc1ccc(C2=CCC[NH2+]CC2)c(C#N)n1 ZINC001238941173 980381505 /nfs/dbraw/zinc/38/15/05/980381505.db2.gz JRCCTPOTNJLDTD-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO O/N=C/c1ccc(C2=CCC[NH2+]CC2)cc1F ZINC001238945977 980383393 /nfs/dbraw/zinc/38/33/93/980383393.db2.gz PGAXJZJAENXZAG-CXUHLZMHSA-N 1 0 234.274 2.401 20 30 BEEDRO C=CCO[NH+]=C1CCN(C)c2ccccc21 ZINC001344438268 980395738 /nfs/dbraw/zinc/39/57/38/980395738.db2.gz MXWLPSLHLDTKDZ-UHFFFAOYSA-N 1 0 216.284 2.433 20 30 BEEDRO C=C(CC)COC(=O)C12CCC[NH+](CCC1)C2 ZINC001344846773 980483106 /nfs/dbraw/zinc/48/31/06/980483106.db2.gz BOBOTINKDWKYQK-UHFFFAOYSA-N 1 0 237.343 2.372 20 30 BEEDRO CCCCCCCNC(=O)N[C@H]1C[C@@](C)([NH3+])C1 ZINC001239252530 980504590 /nfs/dbraw/zinc/50/45/90/980504590.db2.gz FWYZXNLSZRLENQ-BJHJDKERSA-N 1 0 241.379 2.136 20 30 BEEDRO CCCCCCCOC(=O)NC[C@H]1CCC[NH2+]1 ZINC001239319703 980530306 /nfs/dbraw/zinc/53/03/06/980530306.db2.gz PWQCQPDAPSGQGE-GFCCVEGCSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCOC(=O)N1CC(C)(C[NH3+])C1 ZINC001239330626 980539921 /nfs/dbraw/zinc/53/99/21/980539921.db2.gz UEJJUTSNZWHQLY-UHFFFAOYSA-N 1 0 242.363 2.374 20 30 BEEDRO CCCCCCCOC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC001239333874 980540553 /nfs/dbraw/zinc/54/05/53/980540553.db2.gz HANNESNSSBTOOW-LBPRGKRZSA-N 1 0 242.363 2.387 20 30 BEEDRO CCCCCCCNC(=S)NC[C@H]([NH3+])CC ZINC001239380237 980555794 /nfs/dbraw/zinc/55/57/94/980555794.db2.gz KCFRMPYGYFLMNH-LLVKDONJSA-N 1 0 245.436 2.158 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]([NH3+])CC(C)C ZINC001345602182 980642501 /nfs/dbraw/zinc/64/25/01/980642501.db2.gz IFARLRBRULHHTA-LBPRGKRZSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCCCN(CC)C(=O)CC1([NH3+])CCC1 ZINC001345601662 980643723 /nfs/dbraw/zinc/64/37/23/980643723.db2.gz HTSCNBUZLVJBGT-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO C=C(CC)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC001345622768 980651639 /nfs/dbraw/zinc/65/16/39/980651639.db2.gz OAVNOQXSJSHURC-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)c2cccs2)CC1 ZINC001345673125 980668058 /nfs/dbraw/zinc/66/80/58/980668058.db2.gz HWJHAJFMXQCUTN-UHFFFAOYSA-N 1 0 249.335 2.003 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188716552 980698488 /nfs/dbraw/zinc/69/84/88/980698488.db2.gz HLOFBRMACUAWFW-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CCCC)C1 ZINC001188932603 980721347 /nfs/dbraw/zinc/72/13/47/980721347.db2.gz ALJYFEODBUFHKN-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC)C(=O)NCCC[NH+]1CCCCCC1 ZINC001346107688 980757240 /nfs/dbraw/zinc/75/72/40/980757240.db2.gz VZJXJDLJLMHBGK-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CC(=C)C)C1 ZINC001189279707 980765449 /nfs/dbraw/zinc/76/54/49/980765449.db2.gz MAMTYPWPVNCKAT-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)CCC(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC001346297915 980805205 /nfs/dbraw/zinc/80/52/05/980805205.db2.gz DABZOWSLKMTCSK-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H](OC2CC2)C1 ZINC001205467737 980815464 /nfs/dbraw/zinc/81/54/64/980815464.db2.gz BQBGXXYLRATYKQ-HNNXBMFYSA-N 1 0 242.322 2.312 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001346351941 980817290 /nfs/dbraw/zinc/81/72/90/980817290.db2.gz AQYHXBHXNDKKFD-UTUOFQBUSA-N 1 0 242.338 2.157 20 30 BEEDRO C=C(CC)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC001346359878 980818916 /nfs/dbraw/zinc/81/89/16/980818916.db2.gz JQCSJNJCFVKQTL-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C(=O)N1CCC([NH+](CC)CC)CC1 ZINC001346421519 980834031 /nfs/dbraw/zinc/83/40/31/980834031.db2.gz NVJHESBEYDHWGR-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1ncncc1C#N ZINC001239681045 980841397 /nfs/dbraw/zinc/84/13/97/980841397.db2.gz VBCGDRFTKQUIGF-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)[C@@H](C)O ZINC001190456628 980875089 /nfs/dbraw/zinc/87/50/89/980875089.db2.gz BVLZFCIBJMDJGJ-QWHCGFSZSA-N 1 0 249.354 2.453 20 30 BEEDRO CC(C)[N@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001190660526 980898008 /nfs/dbraw/zinc/89/80/08/980898008.db2.gz LTXGASKJSCOLTC-UHFFFAOYSA-N 1 0 215.300 2.326 20 30 BEEDRO [NH3+]Cc1cncc(-c2cccc(/C=N/O)c2)c1 ZINC001239798236 980935802 /nfs/dbraw/zinc/93/58/02/980935802.db2.gz LIOHNAIYVAVYSN-LZYBPNLTSA-N 1 0 227.267 2.015 20 30 BEEDRO N#CCc1ccc(F)cc1-c1cncc(C[NH3+])c1 ZINC001239797267 980936735 /nfs/dbraw/zinc/93/67/35/980936735.db2.gz NHOQHRFBDJLLCA-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO N#CCc1ccc(-c2cncc(C[NH3+])c2)cc1F ZINC001239797440 980936921 /nfs/dbraw/zinc/93/69/21/980936921.db2.gz QYFHOLKKBNQOCN-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC001347061066 980960891 /nfs/dbraw/zinc/96/08/91/980960891.db2.gz SGHMDXZVQSMSLV-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CCC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC001347116588 980978262 /nfs/dbraw/zinc/97/82/62/980978262.db2.gz LUNKMCBJQNTNBF-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC001347122260 980981430 /nfs/dbraw/zinc/98/14/30/980981430.db2.gz XNSUCCCQWSDFNI-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001191172802 980991816 /nfs/dbraw/zinc/99/18/16/980991816.db2.gz AGVCLNZWQIWYQD-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC001347178498 981004614 /nfs/dbraw/zinc/00/46/14/981004614.db2.gz IFXPSHNAGOPONL-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1c(F)cc(-c2cccc(C[NH3+])n2)cc1F ZINC001239912879 981032168 /nfs/dbraw/zinc/03/21/68/981032168.db2.gz OFBISDOBZWQUDR-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO CC#CC[N@H+]1CC[C@H]1Cc1ccc(OC)cc1 ZINC001191495004 981047178 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ZINC001241431528 982584218 /nfs/dbraw/zinc/58/42/18/982584218.db2.gz AJHXYDYWEXEGHS-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=C[C@@H](COC)[NH2+]CCc1ccc(C)cc1 ZINC001352860254 982607312 /nfs/dbraw/zinc/60/73/12/982607312.db2.gz DIAIBXCQCOGQKV-AWEZNQCLSA-N 1 0 219.328 2.328 20 30 BEEDRO C=CCCC(=O)NCC1CC([NH2+]CCCC)C1 ZINC001100176728 982634563 /nfs/dbraw/zinc/63/45/63/982634563.db2.gz BOIKEXPVPUUQTN-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@]1(O)CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001203900159 982676835 /nfs/dbraw/zinc/67/68/35/982676835.db2.gz SOMGHVAILUQDTD-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCOC1 ZINC001198414235 982708560 /nfs/dbraw/zinc/70/85/60/982708560.db2.gz ITDFYAALGILUGL-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(C#N)s2)C1 ZINC001205840905 982729321 /nfs/dbraw/zinc/72/93/21/982729321.db2.gz ITJNUGVOLXPQQK-GHMZBOCLSA-N 1 0 249.383 2.179 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)C=C2CCC2)C1 ZINC001100239285 982732848 /nfs/dbraw/zinc/73/28/48/982732848.db2.gz NQJPWWVMFHLICV-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001353185295 982752271 /nfs/dbraw/zinc/75/22/71/982752271.db2.gz KGCDUUFPFVQAOA-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCC[N@H+]1C[C@@H](N2CCCC2)C[C@H]1C(C)C ZINC001198623346 982823734 /nfs/dbraw/zinc/82/37/34/982823734.db2.gz PLEJPQLQXMIJRW-GJZGRUSLSA-N 1 0 234.387 2.204 20 30 BEEDRO C#CCC[N@H+]1C[C@H](N2CCCC2)C[C@@H]1C(C)C ZINC001198623347 982824650 /nfs/dbraw/zinc/82/46/50/982824650.db2.gz PLEJPQLQXMIJRW-HUUCEWRRSA-N 1 0 234.387 2.204 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](C2CCCC2)C1 ZINC001198708459 982830370 /nfs/dbraw/zinc/83/03/70/982830370.db2.gz YOEZJYXUSWIKLG-ZIAGYGMSSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC001353312748 982833005 /nfs/dbraw/zinc/83/30/05/982833005.db2.gz BJMWSZPYNBHCFB-NWANDNLSSA-N 1 0 249.354 2.025 20 30 BEEDRO C=CC1CCN(C(=O)c2ccccc2C[NH3+])CC1 ZINC001353323633 982835410 /nfs/dbraw/zinc/83/54/10/982835410.db2.gz FTQHWCVENYTQGM-UHFFFAOYSA-N 1 0 244.338 2.184 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C(C)(C)C ZINC001353350410 982845924 /nfs/dbraw/zinc/84/59/24/982845924.db2.gz CSJNBWCXFPFZFF-GJZGRUSLSA-N 1 0 245.366 2.228 20 30 BEEDRO C=CCCC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001353370716 982851258 /nfs/dbraw/zinc/85/12/58/982851258.db2.gz RWSJSLKHKRYBJT-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC1(CC(=O)N(C)CC[NH2+]C)CCCCC1 ZINC001353602376 982916423 /nfs/dbraw/zinc/91/64/23/982916423.db2.gz NBCLWDNQUQNKGQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)CCCC)CC1 ZINC001199358794 982916933 /nfs/dbraw/zinc/91/69/33/982916933.db2.gz BGPDISRRRLWCHM-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CCCC(C)C ZINC001480540491 982961368 /nfs/dbraw/zinc/96/13/68/982961368.db2.gz TUNXFRHVOYZEPF-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CCCC(C)C ZINC001480540490 982963691 /nfs/dbraw/zinc/96/36/91/982963691.db2.gz TUNXFRHVOYZEPF-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC001199953084 983051229 /nfs/dbraw/zinc/05/12/29/983051229.db2.gz WQZDEJOGTPOFNB-VOTSOKGWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)COCC)C1CCCCC1 ZINC001252034327 983096927 /nfs/dbraw/zinc/09/69/27/983096927.db2.gz OHJLCDXNRWDUAP-AWEZNQCLSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)c1ccccc1 ZINC001494935040 983098073 /nfs/dbraw/zinc/09/80/73/983098073.db2.gz XRYKCYRTISHDMZ-CQSZACIVSA-N 1 0 246.354 2.361 20 30 BEEDRO N#Cc1cc(Nc2ccc(N)nc2)c([O-])cc1F ZINC001201291990 983168559 /nfs/dbraw/zinc/16/85/59/983168559.db2.gz RYRLFVZIPNCSLH-UHFFFAOYSA-N 1 0 244.229 2.124 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)C1(Br)CC1 ZINC001354245416 983220781 /nfs/dbraw/zinc/22/07/81/983220781.db2.gz YZRSBMZWQQEJAO-DTWKUNHWSA-N 1 0 248.164 2.093 20 30 BEEDRO Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ncc1C#N ZINC001242020840 983228916 /nfs/dbraw/zinc/22/89/16/983228916.db2.gz ZLALNZQJEBTVSG-OLZOCXBDSA-N 1 0 225.295 2.169 20 30 BEEDRO N#Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(C#N)c1 ZINC001242026859 983238477 /nfs/dbraw/zinc/23/84/77/983238477.db2.gz QQTMZMCPQCSCJZ-KGLIPLIRSA-N 1 0 235.290 2.338 20 30 BEEDRO N#Cc1c(F)cncc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242026668 983239735 /nfs/dbraw/zinc/23/97/35/983239735.db2.gz OGIXURWSXMUBIW-ZJUUUORDSA-N 1 0 229.258 2.000 20 30 BEEDRO CC(C)CN1CC(Oc2ccccc2C#N)C1 ZINC001201483162 983290393 /nfs/dbraw/zinc/29/03/93/983290393.db2.gz XTNQFWLTOYTQMX-UHFFFAOYSA-N 1 0 230.311 2.277 20 30 BEEDRO C=CCN1CC[NH+](C[C@H](C)CCC)CC1 ZINC001201549444 983301073 /nfs/dbraw/zinc/30/10/73/983301073.db2.gz BBXDKRJTPZOSOH-CYBMUJFWSA-N 1 0 210.365 2.226 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC1CC([NH2+]CC)C1 ZINC001100594581 983321364 /nfs/dbraw/zinc/32/13/64/983321364.db2.gz AWPBSNLJYIUGNX-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCCC[C@H]1C(=O)OC)C1CC1 ZINC001354611086 983333611 /nfs/dbraw/zinc/33/36/11/983333611.db2.gz DLLXBVWEEBSPNH-GXTWGEPZSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CC1(CCCC[N@H+]2C[C@H](O)C3(CC3)C2)CCC1 ZINC001354636145 983337845 /nfs/dbraw/zinc/33/78/45/983337845.db2.gz CDTIHKNDDNXQOH-ZDUSSCGKSA-N 1 0 248.370 2.307 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCC[C@@H]2CCO)CC1 ZINC001354639522 983340413 /nfs/dbraw/zinc/34/04/13/983340413.db2.gz PGMUVSIQLONKGC-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2ccc(C#N)cc2)C1 ZINC001201590363 983353735 /nfs/dbraw/zinc/35/37/35/983353735.db2.gz XCZZHOODCBHHCN-AWEZNQCLSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001354842069 983375256 /nfs/dbraw/zinc/37/52/56/983375256.db2.gz RORZXXTZMMXXBH-GHMZBOCLSA-N 1 0 245.326 2.065 20 30 BEEDRO CCCCCCCN1CCOC[C@H]1C[NH+](C)C ZINC001201798015 983477194 /nfs/dbraw/zinc/47/71/94/983477194.db2.gz LFBFZLSXYGEQJM-CQSZACIVSA-N 1 0 242.407 2.219 20 30 BEEDRO CCCCCCC[NH+]1CC(CC(=O)OC)C1 ZINC001201787759 983480745 /nfs/dbraw/zinc/48/07/45/983480745.db2.gz KZHFXYGUUJIIRS-UHFFFAOYSA-N 1 0 227.348 2.452 20 30 BEEDRO CCCC[C@@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001252089936 983482482 /nfs/dbraw/zinc/48/24/82/983482482.db2.gz UUMMKRMQEZEMHB-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C#Cc1ccc(-c2ccc3c(n2)CC[NH2+]C3)cc1 ZINC001242291924 983519096 /nfs/dbraw/zinc/51/90/96/983519096.db2.gz GUEWZBAFZGBPDI-UHFFFAOYSA-N 1 0 234.302 2.376 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC001355586959 983522093 /nfs/dbraw/zinc/52/20/93/983522093.db2.gz OSQZEDYVOUXGSJ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C/C=C(/C)C=C)CC1 ZINC001202054440 983540342 /nfs/dbraw/zinc/54/03/42/983540342.db2.gz RYZDXDOBGNPIAQ-MLPAPPSSSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@H](C)CC ZINC001273925272 983541196 /nfs/dbraw/zinc/54/11/96/983541196.db2.gz QGNLEXMRSWDRKK-JHJVBQTASA-N 1 0 236.359 2.036 20 30 BEEDRO N#Cc1ncccc1-c1cccc2c1C[NH2+]CC2 ZINC001242312616 983543939 /nfs/dbraw/zinc/54/39/39/983543939.db2.gz RPBAHSJFNZFADC-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C[NH+](C)Cc1cncc(-c2cccnc2C#N)c1 ZINC001242312684 983545744 /nfs/dbraw/zinc/54/57/44/983545744.db2.gz VHBJKBFPFMSBMV-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001202122472 983570347 /nfs/dbraw/zinc/57/03/47/983570347.db2.gz CAWGCTXHYXSXJS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1CC ZINC001488667243 983688274 /nfs/dbraw/zinc/68/82/74/983688274.db2.gz NDYCUOKPZGBVNS-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001488844624 983698039 /nfs/dbraw/zinc/69/80/39/983698039.db2.gz VDXXIZSUUJKHRM-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCC[C@@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001252113421 983698252 /nfs/dbraw/zinc/69/82/52/983698252.db2.gz ZGCYZPPSTRCVJZ-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001488856011 983701892 /nfs/dbraw/zinc/70/18/92/983701892.db2.gz LRNVEKOCHYWCIT-JOCQHMNTSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@H](O)CCCCCCCC ZINC001252134916 983715323 /nfs/dbraw/zinc/71/53/23/983715323.db2.gz UJZRJJCVBVAPPR-UONOGXRCSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCC[N@H+](CC)CCCNC(=O)C(C)(C)C ZINC001490355437 983722590 /nfs/dbraw/zinc/72/25/90/983722590.db2.gz LQYVFIJYMZXXPL-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](CCCNC(C)=O)C1CC1 ZINC001490361579 983722734 /nfs/dbraw/zinc/72/27/34/983722734.db2.gz NGCIOOJMQUTLRV-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cc(N)ccc1C ZINC001357458509 983723095 /nfs/dbraw/zinc/72/30/95/983723095.db2.gz XPGFDNACHJYGKG-LBPRGKRZSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCCC)C1 ZINC001490431417 983729905 /nfs/dbraw/zinc/72/99/05/983729905.db2.gz USAGPWHWSBFOFL-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)C12CCC[NH+](CCC1)C2 ZINC001357713796 983762229 /nfs/dbraw/zinc/76/22/29/983762229.db2.gz WBZUPHFISHAXNE-GFCCVEGCSA-N 1 0 237.343 2.370 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC001252547959 983812817 /nfs/dbraw/zinc/81/28/17/983812817.db2.gz NPGHTSCXOAVTER-UPJWGTAASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001252547958 983813131 /nfs/dbraw/zinc/81/31/31/983813131.db2.gz NPGHTSCXOAVTER-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](CC)Cc1cccc(OC)c1 ZINC001252556429 983815710 /nfs/dbraw/zinc/81/57/10/983815710.db2.gz CBCYRVGIIITMLQ-OAHLLOKOSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC001252568884 983824243 /nfs/dbraw/zinc/82/42/43/983824243.db2.gz ODLYPESASBQXOP-YGRLFVJLSA-N 1 0 245.326 2.151 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1c(F)ccc(C)c1F ZINC001252572342 983828145 /nfs/dbraw/zinc/82/81/45/983828145.db2.gz PRERNRBHAACNJE-CYBMUJFWSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001252572178 983828355 /nfs/dbraw/zinc/82/83/55/983828355.db2.gz NXLOPNZQUSZCOP-RISCZKNCSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(Cl)cc1 ZINC001252575195 983829346 /nfs/dbraw/zinc/82/93/46/983829346.db2.gz WGRLXSANSAKFKI-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(Cl)cc1 ZINC001252575196 983829663 /nfs/dbraw/zinc/82/96/63/983829663.db2.gz WGRLXSANSAKFKI-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC001252574666 983830052 /nfs/dbraw/zinc/83/00/52/983830052.db2.gz BPXJTRPTRNUWGV-WFASDCNBSA-N 1 0 249.354 2.240 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001252576979 983832920 /nfs/dbraw/zinc/83/29/20/983832920.db2.gz ROCNKYKVVBLLFT-KBPBESRZSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc(F)c1C ZINC001252577303 983832947 /nfs/dbraw/zinc/83/29/47/983832947.db2.gz YENQLFKURIKMEZ-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccncc1)C(C)C ZINC001252585413 983835691 /nfs/dbraw/zinc/83/56/91/983835691.db2.gz NQRGOIRNEWCMIZ-ZIAGYGMSSA-N 1 0 234.343 2.305 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(C)cs1 ZINC001252589227 983839892 /nfs/dbraw/zinc/83/98/92/983839892.db2.gz LKHPSNHJWARXEE-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@H](O)CNc1[nH+]cc(C)cc1C ZINC001252591000 983841113 /nfs/dbraw/zinc/84/11/13/983841113.db2.gz HJQNOWHGRPCBLR-LBPRGKRZSA-N 1 0 220.316 2.437 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@@H](O)CCC=C)c1 ZINC001252617244 983852803 /nfs/dbraw/zinc/85/28/03/983852803.db2.gz BIOGRRCITPDTDV-HNNXBMFYSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1(c2ccccn2)CC1 ZINC001252618237 983853523 /nfs/dbraw/zinc/85/35/23/983853523.db2.gz PUYSVWABRCAMDP-ZDUSSCGKSA-N 1 0 246.354 2.030 20 30 BEEDRO Cc1ccc(C#N)cc1-c1ccnc(C[NH3+])c1 ZINC001242542855 983863330 /nfs/dbraw/zinc/86/33/30/983863330.db2.gz LHHLSCLAJOGYAJ-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC001358505588 983882097 /nfs/dbraw/zinc/88/20/97/983882097.db2.gz IQOAWEOVJQVKRW-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C#CC1CC[NH+](Cc2cn(CCC)nc2C)CC1 ZINC001474595877 983911074 /nfs/dbraw/zinc/91/10/74/983911074.db2.gz QAJGTGZPAYMCBE-UHFFFAOYSA-N 1 0 245.370 2.447 20 30 BEEDRO Cc1ccc(-c2ccnc(C[NH3+])c2)c(C#N)c1 ZINC001242593629 983915878 /nfs/dbraw/zinc/91/58/78/983915878.db2.gz VFDXAGAZGSMNTC-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)CC ZINC001568605969 984016945 /nfs/dbraw/zinc/01/69/45/984016945.db2.gz QLABDHLPTDBSPL-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO N#Cc1cccc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001242671881 984038319 /nfs/dbraw/zinc/03/83/19/984038319.db2.gz NHGALEOPGBKLDN-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO Cc1cnc(-c2ccccc2C#N)c(C[NH3+])c1 ZINC001242715363 984067664 /nfs/dbraw/zinc/06/76/64/984067664.db2.gz RXFSOBGCJXLAGZ-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000717445477 984196990 /nfs/dbraw/zinc/19/69/90/984196990.db2.gz CTKUPEAFSZNLNN-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C[C@H](O)CNc1ccc([NH+](CC)CC)cc1 ZINC001253566378 984227905 /nfs/dbraw/zinc/22/79/05/984227905.db2.gz ZAJRMQOVNKCQRG-AWEZNQCLSA-N 1 0 234.343 2.492 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001253566181 984228199 /nfs/dbraw/zinc/22/81/99/984228199.db2.gz WKBQPRFLBVWGHI-LBPRGKRZSA-N 1 0 237.730 2.466 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CN(C(C)=O)C[C@@H]1C ZINC001274164345 984274349 /nfs/dbraw/zinc/27/43/49/984274349.db2.gz JXILDFGVWVLLCT-JSGCOSHPSA-N 1 0 240.391 2.413 20 30 BEEDRO C=C[C@@H](CO)Nc1[nH+]ccc2cc(OC)ccc21 ZINC000717441956 984286884 /nfs/dbraw/zinc/28/68/84/984286884.db2.gz DJQVNURHZTXDEP-NSHDSACASA-N 1 0 244.294 2.202 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](C)C(C)(C)C ZINC000717793517 984293910 /nfs/dbraw/zinc/29/39/10/984293910.db2.gz HPGQFBYKOPWMTG-VXGBXAGGSA-N 1 0 211.349 2.033 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691395647 984314186 /nfs/dbraw/zinc/31/41/86/984314186.db2.gz ORHDMQJNJSUURP-CVEARBPZSA-N 1 0 241.334 2.195 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691403840 984317056 /nfs/dbraw/zinc/31/70/56/984317056.db2.gz OZTNNPGUQVGARR-RTXFEEFZSA-N 1 0 236.359 2.472 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000389362861 984335556 /nfs/dbraw/zinc/33/55/56/984335556.db2.gz TUBKMSYBKDJQOF-VXGBXAGGSA-N 1 0 209.358 2.131 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ncccc2C#N)cc1 ZINC001242988146 984350552 /nfs/dbraw/zinc/35/05/52/984350552.db2.gz AWPAONPGVLLPRA-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(C)C=CCC1 ZINC001274763337 984378120 /nfs/dbraw/zinc/37/81/20/984378120.db2.gz LZEAVHJSPPOHKR-JSGCOSHPSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC1(C)C ZINC001274772463 984378422 /nfs/dbraw/zinc/37/84/22/984378422.db2.gz WSBBUDIBPTTWNV-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC ZINC001274878315 984399430 /nfs/dbraw/zinc/39/94/30/984399430.db2.gz VCAHOLFRZQNZAE-NWDGAFQWSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCCC[NH+]1CC2(CN(Cc3ccc[nH]3)C2)C1 ZINC001274962932 984420268 /nfs/dbraw/zinc/42/02/68/984420268.db2.gz XQIVJRATUTXWBU-UHFFFAOYSA-N 1 0 245.370 2.099 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]Cc1ccccc1 ZINC001275092703 984485441 /nfs/dbraw/zinc/48/54/41/984485441.db2.gz YQYPDEQBFZQRKH-ZDUSSCGKSA-N 1 0 246.354 2.247 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)CCC ZINC001275099510 984487387 /nfs/dbraw/zinc/48/73/87/984487387.db2.gz ZMYCBTATWJVLRW-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)CC(C)(C)C1CC1 ZINC001275141883 984504352 /nfs/dbraw/zinc/50/43/52/984504352.db2.gz HPAPIWLUPCJWRT-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C[C@H](C)CC)C1 ZINC001275220986 984524382 /nfs/dbraw/zinc/52/43/82/984524382.db2.gz ZYOHXWYHQHILMV-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)NC1CC(C[NH2+]C(C)C)C1 ZINC001275274306 984529873 /nfs/dbraw/zinc/52/98/73/984529873.db2.gz KGYMJZMPTKSNLL-UHFFFAOYSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC001444289889 984549554 /nfs/dbraw/zinc/54/95/54/984549554.db2.gz DNXZTTRCPPQTQG-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C=C(CC)CC ZINC001275385335 984551738 /nfs/dbraw/zinc/55/17/38/984551738.db2.gz IFXYNPLSISKTAR-RYUDHWBXSA-N 1 0 238.375 2.402 20 30 BEEDRO N#Cc1ccc2c(c1)nccc2C1=CC[NH2+]C1 ZINC001243109820 984567327 /nfs/dbraw/zinc/56/73/27/984567327.db2.gz QKRIPZYVTQVVQM-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C ZINC001275462631 984570456 /nfs/dbraw/zinc/57/04/56/984570456.db2.gz WDHMIMFZSYLJIU-WDEREUQCSA-N 1 0 226.364 2.090 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001275479608 984571358 /nfs/dbraw/zinc/57/13/58/984571358.db2.gz BTZQBVUQLSQRHQ-NEPJUHHUSA-N 1 0 236.359 2.012 20 30 BEEDRO N#Cc1c(F)c(F)c(C2=CC[NH2+]C2)c(F)c1F ZINC001243111934 984579165 /nfs/dbraw/zinc/57/91/65/984579165.db2.gz XEZBXOFLHMQIAW-UHFFFAOYSA-N 1 0 242.175 2.101 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CC ZINC001275772480 984645117 /nfs/dbraw/zinc/64/51/17/984645117.db2.gz GMVLSJBZSSUMJO-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C/C=C(\C)C=C ZINC001276180219 984826120 /nfs/dbraw/zinc/82/61/20/984826120.db2.gz VAOKNYDNDZBPTD-MDWZMJQESA-N 1 0 236.359 2.133 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)(F)F ZINC001276244155 984834342 /nfs/dbraw/zinc/83/43/42/984834342.db2.gz LYLBADKNVURLMA-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+]C(CC)CC ZINC001257291746 984872572 /nfs/dbraw/zinc/87/25/72/984872572.db2.gz NATDBGUJZDDBFS-ZDUSSCGKSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CCC ZINC001257310230 984883138 /nfs/dbraw/zinc/88/31/38/984883138.db2.gz ACTAZFKWMYZZLA-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCCC[N@H+]1CC[C@](C)(NC(=O)C(C)C)C1 ZINC001278364241 984891536 /nfs/dbraw/zinc/89/15/36/984891536.db2.gz UOJIHLVGBHDKEI-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CCCOC1 ZINC000685984209 985027103 /nfs/dbraw/zinc/02/71/03/985027103.db2.gz RHORRIZNBLXLAY-ZDUSSCGKSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001455639083 985085271 /nfs/dbraw/zinc/08/52/71/985085271.db2.gz IUCACXHQSUDYNN-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)O1 ZINC000686513760 985125565 /nfs/dbraw/zinc/12/55/65/985125565.db2.gz PQHGZSMCTAWXRX-YCPHGPKFSA-N 1 0 243.350 2.441 20 30 BEEDRO N#CCOc1ccccc1-c1cc(N)cc[nH+]1 ZINC001243580309 985139600 /nfs/dbraw/zinc/13/96/00/985139600.db2.gz OEQXMGPWRKVKRT-UHFFFAOYSA-N 1 0 225.251 2.233 20 30 BEEDRO N#CCOc1ccc(-c2c[nH+]ccc2N)cc1 ZINC001243591289 985145663 /nfs/dbraw/zinc/14/56/63/985145663.db2.gz ZAMZJTVGXDLNND-UHFFFAOYSA-N 1 0 225.251 2.064 20 30 BEEDRO C=CCC1([NH2+]CCC(OC)OC)CCCC1 ZINC000686604014 985147471 /nfs/dbraw/zinc/14/74/71/985147471.db2.gz JZTYVEJIJNLWLV-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](C)Cn1cccn1 ZINC000686675547 985196485 /nfs/dbraw/zinc/19/64/85/985196485.db2.gz YFQHOLWSDMCRTQ-ZDUSSCGKSA-N 1 0 219.332 2.055 20 30 BEEDRO C#CCCCCC[N@@H+](C)CCn1cccn1 ZINC000686675704 985198772 /nfs/dbraw/zinc/19/87/72/985198772.db2.gz DTTJBCLGYUZAPT-UHFFFAOYSA-N 1 0 219.332 2.009 20 30 BEEDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1C#N ZINC001458229260 985273360 /nfs/dbraw/zinc/27/33/60/985273360.db2.gz OWJNPJNAZWHRCU-DGCLKSJQSA-N 1 0 244.342 2.156 20 30 BEEDRO C=C(Br)C[NH2+]C1(CCO)CCCC1 ZINC000687317880 985286656 /nfs/dbraw/zinc/28/66/56/985286656.db2.gz WHTVIAVAOOCASS-UHFFFAOYSA-N 1 0 248.164 2.180 20 30 BEEDRO N#C[C@@H]1CC=C(c2cccc(C[NH3+])n2)CC1 ZINC001243788347 985344137 /nfs/dbraw/zinc/34/41/37/985344137.db2.gz BKJHYNVRKAPRDY-SNVBAGLBSA-N 1 0 213.284 2.247 20 30 BEEDRO CC[N@H+](C)[C@@H]1CCN(c2cc(F)ccc2C#N)C1 ZINC001458721562 985346348 /nfs/dbraw/zinc/34/63/48/985346348.db2.gz XBULCTVBCKSOCV-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CC2CCC1CC2 ZINC001459523379 985524834 /nfs/dbraw/zinc/52/48/34/985524834.db2.gz FEPRLAKZHVGXQV-YMAMQOFZSA-N 1 0 215.340 2.381 20 30 BEEDRO Cc1cc(C#N)cnc1/C=C/C1CC[NH2+]CC1 ZINC001243892223 985557498 /nfs/dbraw/zinc/55/74/98/985557498.db2.gz HRXSQODWYAGEKE-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO N#Cc1c(F)ccnc1/C=C/C1CC[NH2+]CC1 ZINC001243892730 985562771 /nfs/dbraw/zinc/56/27/71/985562771.db2.gz OJGUYUJBDOCMPX-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnn2ccccc12 ZINC000691854599 985701669 /nfs/dbraw/zinc/70/16/69/985701669.db2.gz DKPVZBLENHARFH-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO N#Cc1cc(-c2ccc(C[NH3+])cc2)ccc1N ZINC001244112898 985820877 /nfs/dbraw/zinc/82/08/77/985820877.db2.gz UMFXSOJSEOBBFK-UHFFFAOYSA-N 1 0 223.279 2.266 20 30 BEEDRO COc1ccc(NC2CC(CC[NH3+])C2)cc1C#N ZINC001579230599 985826621 /nfs/dbraw/zinc/82/66/21/985826621.db2.gz SPAVKGJNRCWJEN-UHFFFAOYSA-N 1 0 245.326 2.106 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ncccc1C ZINC001460941733 985959832 /nfs/dbraw/zinc/95/98/32/985959832.db2.gz XSPVXMVOTBEJGK-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO C#CCOCC[N@H+]1CCc2ccc(CC)cc2C1 ZINC001460980699 985978786 /nfs/dbraw/zinc/97/87/86/985978786.db2.gz MVIXNQXTMUDCCZ-UHFFFAOYSA-N 1 0 243.350 2.257 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nnc2c(C)cccn12 ZINC001258716543 986037714 /nfs/dbraw/zinc/03/77/14/986037714.db2.gz ALVDQUYSFKZCFW-LBPRGKRZSA-N 1 0 244.342 2.482 20 30 BEEDRO C=CCC[C@H](C)N(CC[NH3+])c1ccccn1 ZINC001258719969 986046492 /nfs/dbraw/zinc/04/64/92/986046492.db2.gz NNLOYZQEJVTRMV-LBPRGKRZSA-N 1 0 219.332 2.201 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001258724587 986058009 /nfs/dbraw/zinc/05/80/09/986058009.db2.gz AIQOXGIEVBEDPE-VWYCJHECSA-N 1 0 201.285 2.010 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001258726375 986069259 /nfs/dbraw/zinc/06/92/59/986069259.db2.gz RUVHGHHSHSGXAY-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001253573236 986104223 /nfs/dbraw/zinc/10/42/23/986104223.db2.gz SLYVLKZUEAXZHX-CYBMUJFWSA-N 1 0 230.311 2.147 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C/C=C/c1cccc(F)c1 ZINC001461728706 986130224 /nfs/dbraw/zinc/13/02/24/986130224.db2.gz IFDLNYOZOSVEJV-ZKKXHLJNSA-N 1 0 247.313 2.203 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCc1cccc(C)c1 ZINC001253578957 986132052 /nfs/dbraw/zinc/13/20/52/986132052.db2.gz KNXNWLLIZMFTKV-CQSZACIVSA-N 1 0 219.328 2.016 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCc1ccc(C)cc1 ZINC001253580630 986141886 /nfs/dbraw/zinc/14/18/86/986141886.db2.gz YYGHMCSJIZPNBD-CQSZACIVSA-N 1 0 219.328 2.016 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001253581601 986142948 /nfs/dbraw/zinc/14/29/48/986142948.db2.gz DEDRVHWWUOIEFY-NEPJUHHUSA-N 1 0 227.323 2.138 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)C=C)C1CCCCC1 ZINC001253586324 986164081 /nfs/dbraw/zinc/16/40/81/986164081.db2.gz IMAJTGGNRXUEHI-CYBMUJFWSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001253587759 986177570 /nfs/dbraw/zinc/17/75/70/986177570.db2.gz FWZHVXGPILNKOX-OCCSQVGLSA-N 1 0 217.312 2.153 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001253597552 986221109 /nfs/dbraw/zinc/22/11/09/986221109.db2.gz FYTDGQVQTAYDOG-CHWSQXEVSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001253598034 986224532 /nfs/dbraw/zinc/22/45/32/986224532.db2.gz MLLQZCJNBQNTTL-CYBMUJFWSA-N 1 0 244.338 2.421 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccc2[nH]ccc2c1 ZINC001253600145 986234100 /nfs/dbraw/zinc/23/41/00/986234100.db2.gz YBIQPFHADUOSFE-MFKMUULPSA-N 1 0 230.311 2.365 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccccc1C1CC1 ZINC001253601461 986247941 /nfs/dbraw/zinc/24/79/41/986247941.db2.gz QBHDXTKGHRDTQG-CYBMUJFWSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC001253603379 986255988 /nfs/dbraw/zinc/25/59/88/986255988.db2.gz WQLZWEVKELYVAM-JSGCOSHPSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccc(C)cc2)CC1 ZINC001253603052 986256509 /nfs/dbraw/zinc/25/65/09/986256509.db2.gz QRDDIDAYYWQCFA-CYBMUJFWSA-N 1 0 217.312 2.121 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CC)c1ccccc1F ZINC001253604235 986261608 /nfs/dbraw/zinc/26/16/08/986261608.db2.gz HKSBBOXOXJIVBA-GWCFXTLKSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CCOc1ccccc1[C@H](C)[NH2+]C[C@H](O)C=C ZINC001253608047 986270847 /nfs/dbraw/zinc/27/08/47/986270847.db2.gz HMDCXJXWCAZMCA-QWHCGFSZSA-N 1 0 247.338 2.449 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1cccc(F)c1OC ZINC001253611652 986288125 /nfs/dbraw/zinc/28/81/25/986288125.db2.gz SEKGPZIYRWSRGZ-VHSXEESVSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1CCc2ccccc2CC1 ZINC001253611408 986288483 /nfs/dbraw/zinc/28/84/83/986288483.db2.gz PEJGUTSRDOOVII-HNNXBMFYSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2cccc(C)c2)CC1 ZINC001253611822 986289319 /nfs/dbraw/zinc/28/93/19/986289319.db2.gz UALWGUDPQPBYFU-ZDUSSCGKSA-N 1 0 217.312 2.121 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC001253611711 986289491 /nfs/dbraw/zinc/28/94/91/986289491.db2.gz SPFDOCMZVDNZJF-SWLSCSKDSA-N 1 0 247.338 2.209 20 30 BEEDRO C[N@H+](CC(C)(C)C#N)C[C@@]1(C)CCCCO1 ZINC001462266310 986328670 /nfs/dbraw/zinc/32/86/70/986328670.db2.gz HRCLXKIHWQPXQA-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@@]1(C)CCCCO1 ZINC001462326043 986350011 /nfs/dbraw/zinc/35/00/11/986350011.db2.gz HJNQEBJPLUZBOO-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(CC)C[NH2+]C1CC(c2nc(C)no2)C1 ZINC001462339105 986356141 /nfs/dbraw/zinc/35/61/41/986356141.db2.gz FZFUYJKSEOSZGC-UHFFFAOYSA-N 1 0 221.304 2.180 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C1CCOCC1 ZINC001462449027 986391134 /nfs/dbraw/zinc/39/11/34/986391134.db2.gz WJYVRYDOMHMRIR-BYNSBNAKSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)C1CCOCC1 ZINC001462449032 986393315 /nfs/dbraw/zinc/39/33/15/986393315.db2.gz WJYVRYDOMHMRIR-ZQDZILKHSA-N 1 0 233.355 2.193 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C1CC(C(=O)OC)C1 ZINC001462460043 986395690 /nfs/dbraw/zinc/39/56/90/986395690.db2.gz VSCREKADGYYXIL-UHFFFAOYSA-N 1 0 225.332 2.130 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC001462464386 986396326 /nfs/dbraw/zinc/39/63/26/986396326.db2.gz CAKYFQZEIIUSFH-PMPSAXMXSA-N 1 0 243.350 2.081 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H](C)CCC1CCCCC1 ZINC001462468517 986400630 /nfs/dbraw/zinc/40/06/30/986400630.db2.gz PBUPDYCIUCDYSB-GXTWGEPZSA-N 1 0 223.360 2.319 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253780089 986416078 /nfs/dbraw/zinc/41/60/78/986416078.db2.gz CFRISKNBJWVIKI-AWEZNQCLSA-N 1 0 244.338 2.154 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001462550339 986427687 /nfs/dbraw/zinc/42/76/87/986427687.db2.gz YARRAFVDCVMFJD-GDBMZVCRSA-N 1 0 245.366 2.290 20 30 BEEDRO FC(F)(F)OCC[NH2+]CC#Cc1ccccc1 ZINC000398267291 986474760 /nfs/dbraw/zinc/47/47/60/986474760.db2.gz RHAZNGHGCRQUMJ-UHFFFAOYSA-N 1 0 243.228 2.164 20 30 BEEDRO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC)C2 ZINC001096693675 986476538 /nfs/dbraw/zinc/47/65/38/986476538.db2.gz GOGRBXFBVFEUNR-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001462664341 986492142 /nfs/dbraw/zinc/49/21/42/986492142.db2.gz GVMPFMGKCVFDMR-ARFHVFGLSA-N 1 0 248.414 2.500 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2sccc2N)C1 ZINC001580056595 986495548 /nfs/dbraw/zinc/49/55/48/986495548.db2.gz TWODGNDDCYHHPO-DTWKUNHWSA-N 1 0 221.329 2.112 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1=CCCC1)C2 ZINC001096947623 986524407 /nfs/dbraw/zinc/52/44/07/986524407.db2.gz CCDNYNKSFKLNES-MCIONIFRSA-N 1 0 246.354 2.004 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CC1)C2 ZINC001097119101 986540353 /nfs/dbraw/zinc/54/03/53/986540353.db2.gz RQTMYBXAPJLUIT-UPJWGTAASA-N 1 0 248.370 2.084 20 30 BEEDRO FC1(F)CCC([NH2+]CCCS)CC1 ZINC001254211590 986541606 /nfs/dbraw/zinc/54/16/06/986541606.db2.gz AFGWXWBOJHMQKK-UHFFFAOYSA-N 1 0 209.305 2.474 20 30 BEEDRO CCCN(CCC#N)Cc1ccc2nonc2c1 ZINC001139224313 986569117 /nfs/dbraw/zinc/56/91/17/986569117.db2.gz AXPMNGVACQTCFV-UHFFFAOYSA-N 1 0 244.298 2.348 20 30 BEEDRO C[C@H](C#N)OCCNc1cccc(C[NH+](C)C)c1 ZINC000689457462 986618970 /nfs/dbraw/zinc/61/89/70/986618970.db2.gz DRBDEGSCCYBKHM-GFCCVEGCSA-N 1 0 247.342 2.089 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001254654767 986706909 /nfs/dbraw/zinc/70/69/09/986706909.db2.gz AFFOVUCBYALJJN-ONGXEEELSA-N 1 0 233.290 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001254670735 986720371 /nfs/dbraw/zinc/72/03/71/986720371.db2.gz LYYLRPKXBYIOIW-RGDJUOJXSA-N 1 0 229.327 2.445 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001254674170 986720596 /nfs/dbraw/zinc/72/05/96/986720596.db2.gz VALCCIPWEOHBSW-YPMHNXCESA-N 1 0 242.322 2.443 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001254669005 986720941 /nfs/dbraw/zinc/72/09/41/986720941.db2.gz MRNQIZVNCRQMAW-FZMZJTMJSA-N 1 0 227.311 2.132 20 30 BEEDRO CC(C)[N@@H+]1CCN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC001254674864 986723634 /nfs/dbraw/zinc/72/36/34/986723634.db2.gz ABQFZNKKCQCWAG-BFHYXJOUSA-N 1 0 235.375 2.093 20 30 BEEDRO CCCC[N@H+](CC)CCN[C@@H](CC)CC#N ZINC001255153210 986826642 /nfs/dbraw/zinc/82/66/42/986826642.db2.gz RBKVGBMUIGRVPG-ZDUSSCGKSA-N 1 0 225.380 2.390 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC001255157732 986831686 /nfs/dbraw/zinc/83/16/86/986831686.db2.gz UPIYVCOSAIFNLJ-GJZGRUSLSA-N 1 0 246.354 2.119 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001255157933 986832566 /nfs/dbraw/zinc/83/25/66/986832566.db2.gz ZKRNJPWKHZGUJB-SUHUHFCYSA-N 1 0 248.326 2.096 20 30 BEEDRO CC[C@@H](CC#N)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001255160483 986832705 /nfs/dbraw/zinc/83/27/05/986832705.db2.gz KQZQWMKVSVIAEP-KBPBESRZSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@@H](OC)CC1 ZINC001255164165 986839302 /nfs/dbraw/zinc/83/93/02/986839302.db2.gz HQBSNKGTRLGNRN-SDDRHHMPSA-N 1 0 210.321 2.226 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCSC2)CC1 ZINC001255269810 986879311 /nfs/dbraw/zinc/87/93/11/986879311.db2.gz OSSQMWRBTHIZLS-GMTAPVOTSA-N 1 0 210.346 2.164 20 30 BEEDRO C#CC1CC[NH+](Cc2cnccc2OCC)CC1 ZINC001139632309 986936258 /nfs/dbraw/zinc/93/62/58/986936258.db2.gz ONYNTWWOJPFKQM-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C[N@@H+]1CC[C@H](N(CCC#N)Cc2ccccc2)C1 ZINC001255432300 986949865 /nfs/dbraw/zinc/94/98/65/986949865.db2.gz PMIALWSQVAAFFG-HNNXBMFYSA-N 1 0 243.354 2.106 20 30 BEEDRO COC[C@H](C)NC(=[NH2+])c1ccc(C)c(C)c1 ZINC001255566258 987022185 /nfs/dbraw/zinc/02/21/85/987022185.db2.gz FIDIPBNAUWRDLS-NSHDSACASA-N 1 0 220.316 2.044 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CCCCC)C1 ZINC001490992102 987097536 /nfs/dbraw/zinc/09/75/36/987097536.db2.gz DUAWTYDMEUERDA-BETUJISGSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)/C(C)=C\CC ZINC001495631110 987130464 /nfs/dbraw/zinc/13/04/64/987130464.db2.gz WRGBSGBZSAWCLS-BPLGCGBFSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)F ZINC001491376533 987133695 /nfs/dbraw/zinc/13/36/95/987133695.db2.gz HTFUWDULVDTLEJ-MNOVXSKESA-N 1 0 244.354 2.184 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCCCC ZINC001491393515 987147281 /nfs/dbraw/zinc/14/72/81/987147281.db2.gz PTPXYHQBCHMMHA-NSHDSACASA-N 1 0 246.782 2.414 20 30 BEEDRO C=CC[N@H+]1C[C@@H](CNC(=O)CCCC)[C@H](C)C1 ZINC001101734723 987197088 /nfs/dbraw/zinc/19/70/88/987197088.db2.gz SYWROFJEYSHJNL-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](CNC(=O)CC)[C@H](C)C1 ZINC001101663834 987198858 /nfs/dbraw/zinc/19/88/58/987198858.db2.gz YKIJFLQZZMIKDM-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001102297732 987208733 /nfs/dbraw/zinc/20/87/33/987208733.db2.gz ABOQLEYJGASYDD-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC1(NC(=O)C[C@H]([NH3+])C2CC2)CCCC1 ZINC000690779320 987279772 /nfs/dbraw/zinc/27/97/72/987279772.db2.gz BQTKTLHDUJTREA-LBPRGKRZSA-N 1 0 236.359 2.119 20 30 BEEDRO CCCCCCCC[C@H](O)CNCC[NH2+]CC ZINC001245994991 987281761 /nfs/dbraw/zinc/28/17/61/987281761.db2.gz QRQWGNAJXJPLMR-AWEZNQCLSA-N 1 0 244.423 2.297 20 30 BEEDRO CCCCCCCC[C@@H](O)CN1CC([NH2+]C)C1 ZINC001246015802 987296259 /nfs/dbraw/zinc/29/62/59/987296259.db2.gz XQDWZHRYYZKRTG-CQSZACIVSA-N 1 0 242.407 2.002 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)C2CC=CC2)CC1 ZINC001472944775 987306518 /nfs/dbraw/zinc/30/65/18/987306518.db2.gz UCYZOLPVXMMTHW-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(COC)cs1 ZINC000695510428 987332016 /nfs/dbraw/zinc/33/20/16/987332016.db2.gz QROHHIGRIKNXSL-SECBINFHSA-N 1 0 209.314 2.006 20 30 BEEDRO CCCCCCCC[C@@H](O)CN(C)C1C[NH2+]C1 ZINC001246046809 987342016 /nfs/dbraw/zinc/34/20/16/987342016.db2.gz QVMUABCZOVLUOD-CQSZACIVSA-N 1 0 242.407 2.002 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CNCCOC1 ZINC001246093250 987402684 /nfs/dbraw/zinc/40/26/84/987402684.db2.gz MSORXMNYTGCVIR-KGLIPLIRSA-N 1 0 242.407 2.313 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1COC[C@@H]1N ZINC001246121165 987469768 /nfs/dbraw/zinc/46/97/68/987469768.db2.gz KGIJCPDZMXXADD-MELADBBJSA-N 1 0 242.407 2.441 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCCC[C@H]1C ZINC001473539455 987471952 /nfs/dbraw/zinc/47/19/52/987471952.db2.gz IGVOKKIQIYCASH-MGPQQGTHSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[N@@H+](CC1CC(C)(C)C1)C1CSC1 ZINC001473629185 987506415 /nfs/dbraw/zinc/50/64/15/987506415.db2.gz BWNPYDXJAQAYAB-UHFFFAOYSA-N 1 0 223.385 2.473 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001116396683 987550826 /nfs/dbraw/zinc/55/08/26/987550826.db2.gz LITNZHVIBQBKHN-LBPRGKRZSA-N 1 0 235.302 2.468 20 30 BEEDRO C[C@@H]1Cc2n[nH]cc2C[N@@H+](CC2(CC#N)CC2)C1 ZINC001473795873 987566395 /nfs/dbraw/zinc/56/63/95/987566395.db2.gz JJPWSOBOGOXHMA-LLVKDONJSA-N 1 0 244.342 2.098 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1CC1=NOCC1 ZINC001473857215 987586732 /nfs/dbraw/zinc/58/67/32/987586732.db2.gz JFTRHBCPZAAWAJ-LBPRGKRZSA-N 1 0 208.305 2.193 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1[C@H]1CCN(CC=C)C1=O ZINC001473857054 987587046 /nfs/dbraw/zinc/58/70/46/987587046.db2.gz BFVPNFQWCMHOGZ-KGLIPLIRSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC001473857601 987589263 /nfs/dbraw/zinc/58/92/63/987589263.db2.gz XWCXBLPWSFJAAO-VHSXEESVSA-N 1 0 237.265 2.340 20 30 BEEDRO C[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC001246202148 987598373 /nfs/dbraw/zinc/59/83/73/987598373.db2.gz RXGWUBMHHWPHRI-SLEUVZQESA-N 1 0 243.354 2.349 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001473889906 987602907 /nfs/dbraw/zinc/60/29/07/987602907.db2.gz REWWJAASPSQETK-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCSCC)C1 ZINC001116540994 987622866 /nfs/dbraw/zinc/62/28/66/987622866.db2.gz ZDZCTCNBFKRCTN-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO C[C@@H]1C[C@H](N[C@@H](C#N)c2ccc(F)cc2)CC[NH2+]1 ZINC001246233249 987631048 /nfs/dbraw/zinc/63/10/48/987631048.db2.gz ZQUFFDVIVHOZNW-HONMWMINSA-N 1 0 247.317 2.120 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC001116621571 987650243 /nfs/dbraw/zinc/65/02/43/987650243.db2.gz XTTHODMIFSBHOB-JHJVBQTASA-N 1 0 241.375 2.369 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnccn2)C1 ZINC001474297505 987678171 /nfs/dbraw/zinc/67/81/71/987678171.db2.gz AIXKAUFRFCKYIX-RYUDHWBXSA-N 1 0 217.316 2.311 20 30 BEEDRO CC#CCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC001474408221 987717084 /nfs/dbraw/zinc/71/70/84/987717084.db2.gz MQSPDRORSLKROQ-UHFFFAOYSA-N 1 0 237.734 2.444 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cccnc1N ZINC001474480021 987733028 /nfs/dbraw/zinc/73/30/28/987733028.db2.gz NNKGDMZNCJVQFJ-NSHDSACASA-N 1 0 205.305 2.108 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)nc(C)c1 ZINC001474481725 987735877 /nfs/dbraw/zinc/73/58/77/987735877.db2.gz DYAGMEWXQRDUJM-LBPRGKRZSA-N 1 0 202.301 2.152 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246334454 987743095 /nfs/dbraw/zinc/74/30/95/987743095.db2.gz CYVWWJYYHPBQPN-PWSUYJOCSA-N 1 0 222.307 2.414 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC001474529100 987747381 /nfs/dbraw/zinc/74/73/81/987747381.db2.gz GKIYCLKFNBZWPU-NWDGAFQWSA-N 1 0 240.322 2.035 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001474724272 987810480 /nfs/dbraw/zinc/81/04/80/987810480.db2.gz PZLPEYVZHXCJEG-RYUDHWBXSA-N 1 0 237.347 2.168 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(N(C)C)cc1C ZINC001474733937 987812873 /nfs/dbraw/zinc/81/28/73/987812873.db2.gz ZBQUSWBAIMEWRB-UHFFFAOYSA-N 1 0 216.328 2.126 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]CC1(C#N)CCOCC1 ZINC001474747995 987815811 /nfs/dbraw/zinc/81/58/11/987815811.db2.gz LVNLPXIYOGQEFI-LLVKDONJSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC1(O)C[NH+](CCC(C)(C)SC)C1 ZINC001474750960 987818978 /nfs/dbraw/zinc/81/89/78/987818978.db2.gz DYFPZBIMXPYJTK-UHFFFAOYSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)CC)[C@H]1CC ZINC001479629242 987902780 /nfs/dbraw/zinc/90/27/80/987902780.db2.gz VSSBDWCEXISBKT-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H]1CCCCN1C(C)=O ZINC001479730907 987906037 /nfs/dbraw/zinc/90/60/37/987906037.db2.gz QBPRZKBYLOTFMK-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001479761573 987907331 /nfs/dbraw/zinc/90/73/31/987907331.db2.gz HXQZAICKGHXNJU-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001479945431 987928285 /nfs/dbraw/zinc/92/82/85/987928285.db2.gz ZJQMUHDGKDVKQF-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001479964988 987936428 /nfs/dbraw/zinc/93/64/28/987936428.db2.gz HEDBAKDCGOQGDR-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC(C)C)C1 ZINC001480124949 987948735 /nfs/dbraw/zinc/94/87/35/987948735.db2.gz SOAFUYGOMTTYPG-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001480218667 987956661 /nfs/dbraw/zinc/95/66/61/987956661.db2.gz SEBDRRPZKIFWOP-VNHYZAJKSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001480423241 987977357 /nfs/dbraw/zinc/97/73/57/987977357.db2.gz ZUYPKJBVDKYSQH-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[NH2+]CC1CC(C)C1 ZINC001480430855 987978283 /nfs/dbraw/zinc/97/82/83/987978283.db2.gz ADKIBNYNQIOSCF-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001480423245 987978573 /nfs/dbraw/zinc/97/85/73/987978573.db2.gz ZUYPKJBVDKYSQH-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)CCC ZINC001480528306 987999763 /nfs/dbraw/zinc/99/97/63/987999763.db2.gz NXMMWWZNVLMJFM-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC)C1 ZINC001480689777 988016799 /nfs/dbraw/zinc/01/67/99/988016799.db2.gz SLXJUECEDUMDJO-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC1(C)C ZINC001480758105 988031291 /nfs/dbraw/zinc/03/12/91/988031291.db2.gz YXRGEOTZVBNRST-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001493180601 988071230 /nfs/dbraw/zinc/07/12/30/988071230.db2.gz YWUDBNIYNCLCHK-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO N#Cc1cc(-c2nc([C@H]3CCC[NH2+]3)no2)cs1 ZINC001118238201 988140079 /nfs/dbraw/zinc/14/00/79/988140079.db2.gz ZFTUFZJYILCJJT-SECBINFHSA-N 1 0 246.295 2.094 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC(=C)C ZINC001494648692 988175481 /nfs/dbraw/zinc/17/54/81/988175481.db2.gz WYRPXLXGKIHFNT-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](C)CC)C1 ZINC001494823481 988195259 /nfs/dbraw/zinc/19/52/59/988195259.db2.gz WUNFHPQHWRVPJJ-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)/C(C)=C/CC ZINC001494947865 988201225 /nfs/dbraw/zinc/20/12/25/988201225.db2.gz LIZATUHIORRUSC-YQCJOKCJSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)/C(C)=C\C ZINC001494962456 988205554 /nfs/dbraw/zinc/20/55/54/988205554.db2.gz UTLFQMKGUGXFBG-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)C[C@H](C)CC ZINC001494971823 988206037 /nfs/dbraw/zinc/20/60/37/988206037.db2.gz VNTWHBPFHBFFCF-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](C)C(C)C ZINC001495068695 988216089 /nfs/dbraw/zinc/21/60/89/988216089.db2.gz IMRXUGVLXKZZIE-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]C[C@](C)(NC(=O)CCC)C1CC1 ZINC001495213910 988216117 /nfs/dbraw/zinc/21/61/17/988216117.db2.gz HYPRJNMDCVRROO-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(NC(C)=O)C1CC1 ZINC001495218665 988216589 /nfs/dbraw/zinc/21/65/89/988216589.db2.gz VSMHCUMKPNPWRL-FZMZJTMJSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC4(C[NH2+]C4)C3)C[C@H](C1)C2 ZINC001246612167 988246837 /nfs/dbraw/zinc/24/68/37/988246837.db2.gz FPNBRKDNPJYODM-PBWFPOADSA-N 1 0 232.371 2.027 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](C)CC ZINC001496018614 988270056 /nfs/dbraw/zinc/27/00/56/988270056.db2.gz VNIXBMYSUNYSAM-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CC ZINC001496005632 988273871 /nfs/dbraw/zinc/27/38/71/988273871.db2.gz XSOZTDLZWRZADI-MWLCHTKSSA-N 1 0 246.782 2.222 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001496072500 988277139 /nfs/dbraw/zinc/27/71/39/988277139.db2.gz QVUNWTLVLWQMNH-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C[C@H](COC)[NH2+]C1CCC(OCC)CC1 ZINC001118428600 988344274 /nfs/dbraw/zinc/34/42/74/988344274.db2.gz VFHHZCLOJVVESF-PNESKVBLSA-N 1 0 227.348 2.125 20 30 BEEDRO C[C@@H](CCCC#N)N1CCCC[C@@]12CC[NH2+]C2 ZINC001246643990 988357674 /nfs/dbraw/zinc/35/76/74/988357674.db2.gz OSFMYEUQQKSIGA-KBPBESRZSA-N 1 0 235.375 2.287 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)C1CC(C)C1 ZINC001497165146 988360891 /nfs/dbraw/zinc/36/08/91/988360891.db2.gz HHMPBCACAGEQPZ-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](F)C(C)C ZINC001497249742 988368672 /nfs/dbraw/zinc/36/86/72/988368672.db2.gz XWFBNIICZADJAV-VXGBXAGGSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H](C)C(C)C ZINC001322723551 988371874 /nfs/dbraw/zinc/37/18/74/988371874.db2.gz LRMPHGVHZMPQCR-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)/C(C)=C/CC ZINC001497537356 988391654 /nfs/dbraw/zinc/39/16/54/988391654.db2.gz MNUZCVKHZJZWJY-GTTXMNNRSA-N 1 0 236.359 2.181 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)C=C1CCC1 ZINC001497559894 988392695 /nfs/dbraw/zinc/39/26/95/988392695.db2.gz QYJVECJJURVOJT-AATRIKPKSA-N 1 0 248.370 2.325 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)CCC1CCC1 ZINC001497554632 988394347 /nfs/dbraw/zinc/39/43/47/988394347.db2.gz GRVVJTQXRVPSNR-ONEGZZNKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+]C/C=C/CNC(=O)C(C)(C)C=C ZINC001497649640 988406579 /nfs/dbraw/zinc/40/65/79/988406579.db2.gz KOKSNMDBVNXJMV-CMDGGOBGSA-N 1 0 236.359 2.037 20 30 BEEDRO CC[N@@H+]1CCC[C@H](CNc2cccnc2C#N)C1 ZINC001118517405 988413494 /nfs/dbraw/zinc/41/34/94/988413494.db2.gz WLGSBDGGGREWBG-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)CCC ZINC001497951443 988433583 /nfs/dbraw/zinc/43/35/83/988433583.db2.gz YQBFXOYYQKJNOR-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1 ZINC001118564785 988446654 /nfs/dbraw/zinc/44/66/54/988446654.db2.gz WZBSYLRLDIDKCY-TZMCWYRMSA-N 1 0 248.370 2.038 20 30 BEEDRO C[C@H]1C[C@H](N(CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767327 988454759 /nfs/dbraw/zinc/45/47/59/988454759.db2.gz BWBHJHMUNLRKHA-GXTWGEPZSA-N 1 0 235.375 2.285 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)CCC ZINC001498101282 988456606 /nfs/dbraw/zinc/45/66/06/988456606.db2.gz JVONFYITRJREOU-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C1CCC(=C)CC1 ZINC001498108072 988458371 /nfs/dbraw/zinc/45/83/71/988458371.db2.gz CALRNURHNGBKTI-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1C=CCC1 ZINC001323181116 988466268 /nfs/dbraw/zinc/46/62/68/988466268.db2.gz IZECOLPWQTUACZ-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1C ZINC001498216017 988467936 /nfs/dbraw/zinc/46/79/36/988467936.db2.gz MKMPAFOXAGHPPT-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCN[C@@H](CO)C1 ZINC001246799144 988480137 /nfs/dbraw/zinc/48/01/37/988480137.db2.gz WHIMZHGRGHBKLL-UONOGXRCSA-N 1 0 242.407 2.002 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)C1CC1 ZINC001498506011 988486264 /nfs/dbraw/zinc/48/62/64/988486264.db2.gz XLGQFQYUIXUZSD-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+]CCCN(C)C(=O)CC(C)C ZINC001498507451 988486990 /nfs/dbraw/zinc/48/69/90/988486990.db2.gz QPBRJJMYHSUJLJ-UHFFFAOYSA-N 1 0 246.782 2.223 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)C=C1CCC1 ZINC001498532857 988493226 /nfs/dbraw/zinc/49/32/26/988493226.db2.gz JKOWSKGTSAQCGZ-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001323337972 988505728 /nfs/dbraw/zinc/50/57/28/988505728.db2.gz JSJORRDGGMKXPR-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)C2=CCCC2)CC1 ZINC001323424027 988526214 /nfs/dbraw/zinc/52/62/14/988526214.db2.gz XSCPQTDUCXPXDN-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)CC(C)(C)C=C)CC1 ZINC001499238051 988544594 /nfs/dbraw/zinc/54/45/94/988544594.db2.gz PKGMAHPZLVLNPB-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246842594 988547862 /nfs/dbraw/zinc/54/78/62/988547862.db2.gz ZDTJKCQCZYGZMB-UHFFFAOYSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCCCC ZINC001499872495 988562151 /nfs/dbraw/zinc/56/21/51/988562151.db2.gz QYBLATNEDPVTAN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)CCCCC ZINC001499872494 988563544 /nfs/dbraw/zinc/56/35/44/988563544.db2.gz QYBLATNEDPVTAN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)CC(C)C)CC1 ZINC001499965496 988566597 /nfs/dbraw/zinc/56/65/97/988566597.db2.gz PIINLEKRCZWFDR-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH+]1CCC(C)(NC(=O)C(C)C)CC1 ZINC001499968435 988567640 /nfs/dbraw/zinc/56/76/40/988567640.db2.gz QTALEEATLUMNTI-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCCCCCO)C1 ZINC001323730076 988597534 /nfs/dbraw/zinc/59/75/34/988597534.db2.gz QWAPLJXBPWCKKY-AWEZNQCLSA-N 1 0 241.375 2.206 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001324022269 988666647 /nfs/dbraw/zinc/66/66/47/988666647.db2.gz PYDNSLWINQABTG-SMDDNHRTSA-N 1 0 230.311 2.410 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCC)[C@@H](C)C1 ZINC001324040330 988674640 /nfs/dbraw/zinc/67/46/40/988674640.db2.gz ANUDUNGJCMZCNN-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)C ZINC001505401890 988677494 /nfs/dbraw/zinc/67/74/94/988677494.db2.gz UWDRWBBVBCWTOV-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cccc(C)c1 ZINC001505550102 988689387 /nfs/dbraw/zinc/68/93/87/988689387.db2.gz GDAXHSMXMLZNLV-QWHCGFSZSA-N 1 0 246.354 2.277 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)C ZINC001505547908 988689974 /nfs/dbraw/zinc/68/99/74/988689974.db2.gz QQWABAUCECAJOO-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(=C)C ZINC001505575865 988693282 /nfs/dbraw/zinc/69/32/82/988693282.db2.gz RYHMKVWERAWJTF-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)(C)C ZINC001505559679 988693670 /nfs/dbraw/zinc/69/36/70/988693670.db2.gz REFQSLYGLZCHGI-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C/C ZINC001505586015 988694082 /nfs/dbraw/zinc/69/40/82/988694082.db2.gz VMHBDMNJBDHWBI-XJUJAYADSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)C ZINC001505563087 988695517 /nfs/dbraw/zinc/69/55/17/988695517.db2.gz WIKDVRPEMPHAHK-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC1CCC1 ZINC001505582336 988699933 /nfs/dbraw/zinc/69/99/33/988699933.db2.gz QBMCSEXRXDNHSP-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)(C)C=C ZINC001505613703 988706967 /nfs/dbraw/zinc/70/69/67/988706967.db2.gz LCVVZGVUEAKZMP-NWDGAFQWSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)(F)F ZINC001505685237 988707061 /nfs/dbraw/zinc/70/70/61/988707061.db2.gz FHSUKTIBGGVENR-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001505735649 988713787 /nfs/dbraw/zinc/71/37/87/988713787.db2.gz NSZCBJQQSQKUHS-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1cccc(C)c1 ZINC001505861950 988718814 /nfs/dbraw/zinc/71/88/14/988718814.db2.gz QWRXQJNMIPGDIL-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@H+](C)CCC(=C)C ZINC001505885210 988732007 /nfs/dbraw/zinc/73/20/07/988732007.db2.gz WRGYSMRVXXXMOB-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C1(C)CC1 ZINC001505925140 988748484 /nfs/dbraw/zinc/74/84/84/988748484.db2.gz UEGJAOORLOHWOT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C ZINC001506045091 988763354 /nfs/dbraw/zinc/76/33/54/988763354.db2.gz OOYXFJDUNOGADF-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)NC1(C)CC[NH+](C(C)C)CC1 ZINC001324302057 988790421 /nfs/dbraw/zinc/79/04/21/988790421.db2.gz VOZZFDGQOJWJDL-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001506874470 988795984 /nfs/dbraw/zinc/79/59/84/988795984.db2.gz HGNLONBKAALCPF-IHRRRGAJSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[N@@H+](C)C1CCN(C(=O)C(C)C)CC1 ZINC001506954954 988798175 /nfs/dbraw/zinc/79/81/75/988798175.db2.gz YRRWCOFILKAHEA-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)CCC[NH2+]CC ZINC001506943206 988799029 /nfs/dbraw/zinc/79/90/29/988799029.db2.gz NEMDSXUMCUVEEY-TZMCWYRMSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CCNC(C)=O)C(C)C ZINC001506980038 988800944 /nfs/dbraw/zinc/80/09/44/988800944.db2.gz YVPOMUNUAAXMPB-GXTWGEPZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[N@@H+](C)C1CCN(C(=O)CCC)CC1 ZINC001506949320 988801864 /nfs/dbraw/zinc/80/18/64/988801864.db2.gz MPOWGVJVINGBKD-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CCNC(=O)CC)C(C)C ZINC001506980006 988802286 /nfs/dbraw/zinc/80/22/86/988802286.db2.gz YHCMYJAMILSGMM-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C1CC1 ZINC001507059254 988811885 /nfs/dbraw/zinc/81/18/85/988811885.db2.gz DHNDWRQISLLENN-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CC(C)C ZINC001507110808 988816487 /nfs/dbraw/zinc/81/64/87/988816487.db2.gz PVKLBRVYDMWLQU-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccn1C1CC1 ZINC001324423834 988835760 /nfs/dbraw/zinc/83/57/60/988835760.db2.gz HCNAISWEUREKKQ-UHFFFAOYSA-N 1 0 202.301 2.278 20 30 BEEDRO C=CCC[C@H](C)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013653 988841595 /nfs/dbraw/zinc/84/15/95/988841595.db2.gz HODZIJRYYUSXFW-BFHYXJOUSA-N 1 0 222.376 2.415 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(C3CC3)CCOCC2)C1 ZINC001324474836 988852278 /nfs/dbraw/zinc/85/22/78/988852278.db2.gz ZPJFHAHYDOLWEU-DGCLKSJQSA-N 1 0 234.343 2.227 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001119246262 988862632 /nfs/dbraw/zinc/86/26/32/988862632.db2.gz ZOHLVWQBJSQLRF-HNNXBMFYSA-N 1 0 235.371 2.417 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001324565881 988873276 /nfs/dbraw/zinc/87/32/76/988873276.db2.gz LYWXJAIZVJHKHR-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC001119301096 988905461 /nfs/dbraw/zinc/90/54/61/988905461.db2.gz PHONRFOLWCPQIB-UONOGXRCSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC001119301094 988912669 /nfs/dbraw/zinc/91/26/69/988912669.db2.gz PHONRFOLWCPQIB-KBPBESRZSA-N 1 0 239.359 2.078 20 30 BEEDRO CCCCCCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC001119419225 989057175 /nfs/dbraw/zinc/05/71/75/989057175.db2.gz OXYSEYUJKFLVJL-VXGBXAGGSA-N 1 0 241.379 2.088 20 30 BEEDRO CCCCCCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC001119419222 989057689 /nfs/dbraw/zinc/05/76/89/989057689.db2.gz OXYSEYUJKFLVJL-NEPJUHHUSA-N 1 0 241.379 2.088 20 30 BEEDRO Cc1ccoc1C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC001119450072 989079185 /nfs/dbraw/zinc/07/91/85/989079185.db2.gz LRLPVBRWQYZMEN-STQMWFEESA-N 1 0 247.342 2.006 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC001119450302 989081498 /nfs/dbraw/zinc/08/14/98/989081498.db2.gz OLQLBXMARNAZRI-QWHCGFSZSA-N 1 0 209.333 2.095 20 30 BEEDRO C#CCOCC[N@H+](C)CCCC(C)(C)C ZINC001325138959 989100585 /nfs/dbraw/zinc/10/05/85/989100585.db2.gz GAUPBEFKMFQQEB-UHFFFAOYSA-N 1 0 211.349 2.394 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC001119515285 989120424 /nfs/dbraw/zinc/12/04/24/989120424.db2.gz BJTFHOJFJJTQOG-UMVBOHGHSA-N 1 0 231.339 2.152 20 30 BEEDRO CCc1cc(C#N)ccc1C[NH+]1CCC(O)CC1 ZINC001248742453 989142185 /nfs/dbraw/zinc/14/21/85/989142185.db2.gz BLFMSVJMROBQJD-UHFFFAOYSA-N 1 0 244.338 2.077 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(C#N)cc1CC ZINC001248751746 989144397 /nfs/dbraw/zinc/14/43/97/989144397.db2.gz IZTZSOJPKBNODQ-UHFFFAOYSA-N 1 0 212.296 2.186 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@H+](C)[C@H]1CCOC1 ZINC001248751688 989147180 /nfs/dbraw/zinc/14/71/80/989147180.db2.gz GLRSOWUYFQKPAD-HNNXBMFYSA-N 1 0 244.338 2.341 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC)C1 ZINC001325367485 989176390 /nfs/dbraw/zinc/17/63/90/989176390.db2.gz VMIIOSIHTZQEBD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCNC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001325408981 989181205 /nfs/dbraw/zinc/18/12/05/989181205.db2.gz ABYLKJAHHNDYBF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCC[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249081957 989247578 /nfs/dbraw/zinc/24/75/78/989247578.db2.gz BMWMAARWBIESFL-UHFFFAOYSA-N 1 0 228.299 2.048 20 30 BEEDRO CCC[N@H+](CC)Cc1cnn2ccc(C#N)cc12 ZINC001249081942 989248947 /nfs/dbraw/zinc/24/89/47/989248947.db2.gz BACDFGNQUOFDHR-UHFFFAOYSA-N 1 0 242.326 2.438 20 30 BEEDRO CSC[C@H](CCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC001119688604 989336112 /nfs/dbraw/zinc/33/61/12/989336112.db2.gz JBXFNZMNWSUGAT-QWRGUYRKSA-N 1 0 244.404 2.018 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCCC[C@@H](O)C2)c1F ZINC001249679934 989340433 /nfs/dbraw/zinc/34/04/33/989340433.db2.gz BEQUQPXPEHFWKI-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO C#CC[N@@H+](Cc1ccoc1C)CC1CC1 ZINC001326045145 989340996 /nfs/dbraw/zinc/34/09/96/989340996.db2.gz FJVDXYVLFMZWNE-UHFFFAOYSA-N 1 0 203.285 2.433 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCOCC2CCC2)C1 ZINC001326164072 989398804 /nfs/dbraw/zinc/39/88/04/989398804.db2.gz FFWZJOYAKQUELZ-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO CC(C)C1(C)CC[NH+](C[C@H](O)CC#N)CC1 ZINC001119823554 989429047 /nfs/dbraw/zinc/42/90/47/989429047.db2.gz AHDCRLDYOMSMRO-GFCCVEGCSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CO ZINC001119840976 989436096 /nfs/dbraw/zinc/43/60/96/989436096.db2.gz DQEVITHQJSQOTM-GFJIZPEISA-N 1 0 236.359 2.019 20 30 BEEDRO C#CC[N@H+](CC1CCC(O)CC1)C(C)(C)C ZINC001119922685 989478813 /nfs/dbraw/zinc/47/88/13/989478813.db2.gz VHSGJOPYGGXDCM-UHFFFAOYSA-N 1 0 223.360 2.271 20 30 BEEDRO C#CCC[N@@H+](CCOC)CCc1ccc(F)cc1 ZINC001119974403 989526586 /nfs/dbraw/zinc/52/65/86/989526586.db2.gz YFRYVMOXMGHCID-UHFFFAOYSA-N 1 0 249.329 2.340 20 30 BEEDRO C=C(CC)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC001520818393 989610250 /nfs/dbraw/zinc/61/02/50/989610250.db2.gz DTQOBGHMWOOPSP-YPMHNXCESA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C=CCCC2)cc1 ZINC001326599116 989623326 /nfs/dbraw/zinc/62/33/26/989623326.db2.gz KRMWQFURYLBKRK-GJZGRUSLSA-N 1 0 242.322 2.290 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)s1 ZINC001326717980 989663538 /nfs/dbraw/zinc/66/35/38/989663538.db2.gz XYRINNRRPXCBRS-KCJUWKMLSA-N 1 0 204.298 2.214 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC001120491904 989677374 /nfs/dbraw/zinc/67/73/74/989677374.db2.gz FNUXGLQFBLUZEX-GFCCVEGCSA-N 1 0 232.327 2.204 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC1(CC)CCC1 ZINC001521333060 989680549 /nfs/dbraw/zinc/68/05/49/989680549.db2.gz JBXIAARHBMDJKJ-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO CC1(C)CC([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001120561725 989729026 /nfs/dbraw/zinc/72/90/26/989729026.db2.gz SWAMPVPLRCMTQI-SNVBAGLBSA-N 1 0 205.305 2.208 20 30 BEEDRO C=C(CC)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC001521575572 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991332227 /nfs/dbraw/zinc/33/22/27/991332227.db2.gz MRNONWUYBDLDFY-XYYAHUGASA-N 1 0 234.343 2.180 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCCC[C@H](O)C2)cc1C#N ZINC001139723237 991342858 /nfs/dbraw/zinc/34/28/58/991342858.db2.gz XIAXEWTZGYVYHB-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1C[C@H]1CC)C1CSC1 ZINC001559986515 991351938 /nfs/dbraw/zinc/35/19/38/991351938.db2.gz WCGSYUBOUJBLPC-MNOVXSKESA-N 1 0 209.358 2.083 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCC3(CC3)C2)cn1 ZINC001139768373 991358872 /nfs/dbraw/zinc/35/88/72/991358872.db2.gz OKDGKLBLYFHAFA-UHFFFAOYSA-N 1 0 217.316 2.055 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@@H](CF)C2)cn1 ZINC001139770633 991364595 /nfs/dbraw/zinc/36/45/95/991364595.db2.gz UUNQATKBSPCLAP-LBPRGKRZSA-N 1 0 237.322 2.251 20 30 BEEDRO C=CCn1cc(C[N@H+]2CC[C@@H](OC)C[C@@H]2C)cn1 ZINC001139774569 991367976 /nfs/dbraw/zinc/36/79/76/991367976.db2.gz MSSOQKDCUGBGBC-GXTWGEPZSA-N 1 0 249.358 2.068 20 30 BEEDRO C=CCCC(=O)NCC[N@@H+](CCC)C(C)C ZINC001317538044 991374703 /nfs/dbraw/zinc/37/47/03/991374703.db2.gz FKCIMBVJVKJXTD-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCCC[C@H]2O)CCC1 ZINC001560165573 991397290 /nfs/dbraw/zinc/39/72/90/991397290.db2.gz OYZSFGKGEYYIBN-QWHCGFSZSA-N 1 0 221.344 2.073 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)C ZINC001328978049 991400252 /nfs/dbraw/zinc/40/02/52/991400252.db2.gz NANCHLYOFMBRLB-MNOVXSKESA-N 1 0 246.782 2.268 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001560176587 991403761 /nfs/dbraw/zinc/40/37/61/991403761.db2.gz BXFYBALMJDSTEV-GFCCVEGCSA-N 1 0 217.316 2.232 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[N@@H+](CC(=C)C)C1 ZINC001316939222 991427877 /nfs/dbraw/zinc/42/78/77/991427877.db2.gz DTBZNJNFLLCFCD-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCOCC12CCCC2 ZINC001560232189 991430517 /nfs/dbraw/zinc/43/05/17/991430517.db2.gz NZZNTLTXGHMAAH-GFCCVEGCSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC12CC[NH+](CC=C)CC2 ZINC001316999401 991437914 /nfs/dbraw/zinc/43/79/14/991437914.db2.gz NDXIKLCYZARSFI-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO CCOC(=O)CC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC001258474905 991447052 /nfs/dbraw/zinc/44/70/52/991447052.db2.gz YTRHNBJWTPOAEH-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)CC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC001258474906 991448015 /nfs/dbraw/zinc/44/80/15/991448015.db2.gz YTRHNBJWTPOAEH-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC[N@@H+]1CC[C@]2(NC(=O)CCC)CCC[C@@H]12 ZINC001332063360 991451586 /nfs/dbraw/zinc/45/15/86/991451586.db2.gz GXKOLWKPTQWZTQ-TZMCWYRMSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](CNC(=O)CC)C1 ZINC001317128052 991455375 /nfs/dbraw/zinc/45/53/75/991455375.db2.gz JPYLVPULODBRBO-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH+](CC=C)[C@H](C)CCC(=O)OCC ZINC001258496648 991462224 /nfs/dbraw/zinc/46/22/24/991462224.db2.gz UWHBMRJOHICCKS-GFCCVEGCSA-N 1 0 225.332 2.392 20 30 BEEDRO C=CC[NH2+]C1CCC(NC(=O)[C@H](C)CC)CC1 ZINC001317215882 991463195 /nfs/dbraw/zinc/46/31/95/991463195.db2.gz WTHWWBYIIQBQNW-PNESKVBLSA-N 1 0 238.375 2.236 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)CCC(=O)OCC)C1 ZINC001258498082 991468896 /nfs/dbraw/zinc/46/88/96/991468896.db2.gz HWKKHXGPDHTAKX-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)CCC(=O)OCC)C1 ZINC001258498081 991470059 /nfs/dbraw/zinc/47/00/59/991470059.db2.gz HWKKHXGPDHTAKX-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCC2CC(O)C2)CC1 ZINC001560438299 991474836 /nfs/dbraw/zinc/47/48/36/991474836.db2.gz QXWXISXPMXRDOR-UHFFFAOYSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C1(C)CC1 ZINC001317241419 991475341 /nfs/dbraw/zinc/47/53/41/991475341.db2.gz LDGMPEXLYZVKBS-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001317308865 991491806 /nfs/dbraw/zinc/49/18/06/991491806.db2.gz XKEKRWMOAAKLET-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)C(C)C ZINC001317385031 991494140 /nfs/dbraw/zinc/49/41/40/991494140.db2.gz CBYRCRRNEFCMGD-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C1CCC1 ZINC001317385324 991495497 /nfs/dbraw/zinc/49/54/97/991495497.db2.gz UPZBWCKINQEEED-JTQLQIEISA-N 1 0 244.766 2.023 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)c1cc[nH]c1 ZINC001317392578 991496915 /nfs/dbraw/zinc/49/69/15/991496915.db2.gz BDXWMEQQWMAHLQ-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)CC(C)(C)C=C ZINC001317394166 991497966 /nfs/dbraw/zinc/49/79/66/991497966.db2.gz GVIWXHCLIZKWLS-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)C[C@H](C)CC ZINC001317445116 991519452 /nfs/dbraw/zinc/51/94/52/991519452.db2.gz RFMAIQMNWNKPJJ-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)C(C)(C)C=C ZINC001317458955 991526525 /nfs/dbraw/zinc/52/65/25/991526525.db2.gz LDHFRKIXSDTZNZ-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC001317520951 991542598 /nfs/dbraw/zinc/54/25/98/991542598.db2.gz SWRXBWQAGHNIFF-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO Cc1cc(C[NH+]2CC(CC#N)C2)c(C)cc1O ZINC001140197443 991554526 /nfs/dbraw/zinc/55/45/26/991554526.db2.gz OPFXGSKPJASGEI-UHFFFAOYSA-N 1 0 230.311 2.355 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)CC ZINC001317571749 991557404 /nfs/dbraw/zinc/55/74/04/991557404.db2.gz VSPKFMDEUSMRFH-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]1CC ZINC001317625513 991570585 /nfs/dbraw/zinc/57/05/85/991570585.db2.gz DCUFOBDCTVPYJF-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](CC)CCC ZINC001317645639 991572091 /nfs/dbraw/zinc/57/20/91/991572091.db2.gz MYHGQFSPILESHX-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO CC#CCC[NH2+]Cc1nccc2c1CCCC2 ZINC001560723039 991572887 /nfs/dbraw/zinc/57/28/87/991572887.db2.gz GMBFRTNNPKSKBU-UHFFFAOYSA-N 1 0 228.339 2.463 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)Cc2cccnc2)CC1 ZINC001258634858 991577540 /nfs/dbraw/zinc/57/75/40/991577540.db2.gz VDHMIMDFYZFTKP-ZDUSSCGKSA-N 1 0 228.339 2.358 20 30 BEEDRO COC1CC(C[NH2+]CC2CCC(C#N)CC2)C1 ZINC001560780278 991597468 /nfs/dbraw/zinc/59/74/68/991597468.db2.gz DUBXWNLSPLKOTQ-UHFFFAOYSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(C)CC[NH+]1CC(CNC(=O)C=C2CCC2)C1 ZINC001318116031 991626281 /nfs/dbraw/zinc/62/62/81/991626281.db2.gz XPKOPZQXRZFEKF-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C12CC(C(=O)OC)(C1)C2 ZINC001258716729 991630513 /nfs/dbraw/zinc/63/05/13/991630513.db2.gz BKVCZXOYYWZGFV-PKSQDBQZSA-N 1 0 223.316 2.026 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CCCCC)C1 ZINC001318235432 991636657 /nfs/dbraw/zinc/63/66/57/991636657.db2.gz KHOSJUMITBXJEC-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CC(=O)OCC ZINC001258717960 991637859 /nfs/dbraw/zinc/63/78/59/991637859.db2.gz AMCGXLJXJASHQE-MNOVXSKESA-N 1 0 213.321 2.272 20 30 BEEDRO Nc1ccc2c(c1)CCCC2=[NH+]NCC(F)F ZINC000834959296 991640917 /nfs/dbraw/zinc/64/09/17/991640917.db2.gz PCBGBFKXPIFCJY-UHFFFAOYSA-N 1 0 239.269 2.164 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)NC1CCCC1 ZINC001258716824 991642317 /nfs/dbraw/zinc/64/23/17/991642317.db2.gz CQAABGKHNRCTQA-GFCCVEGCSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001258717308 991644882 /nfs/dbraw/zinc/64/48/82/991644882.db2.gz OQDNXUUXJITROL-OCCSQVGLSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nccc(C)n1 ZINC001258717233 991644960 /nfs/dbraw/zinc/64/49/60/991644960.db2.gz NOUJUAHCSOUVFE-SNVBAGLBSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CCC[C@@H](C)n1c(C)cnc1CC[NH3+] ZINC001258717660 991645026 /nfs/dbraw/zinc/64/50/26/991645026.db2.gz RODNRJHNGQCLCN-SNVBAGLBSA-N 1 0 207.321 2.220 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCn1nnc2ccccc21 ZINC001258719548 991649403 /nfs/dbraw/zinc/64/94/03/991649403.db2.gz GTHMFGMPEOCYRT-LBPRGKRZSA-N 1 0 244.342 2.376 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC001258720015 991650193 /nfs/dbraw/zinc/65/01/93/991650193.db2.gz OUODKQFWYFVQFZ-VIFPVBQESA-N 1 0 221.304 2.391 20 30 BEEDRO C=CCC[C@H](C)n1cc2c(n1)CC[C@H]([NH3+])C2 ZINC001258720255 991651651 /nfs/dbraw/zinc/65/16/51/991651651.db2.gz WBAXVGAGTCZVRY-JQWIXIFHSA-N 1 0 219.332 2.226 20 30 BEEDRO C=CCC1([NH2+][C@H]2CCn3ccnc32)CCOCC1 ZINC001560922586 991651666 /nfs/dbraw/zinc/65/16/66/991651666.db2.gz AIQVWZWJUBIVON-LBPRGKRZSA-N 1 0 247.342 2.043 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCC(F)CC1 ZINC001258720983 991652157 /nfs/dbraw/zinc/65/21/57/991652157.db2.gz KIZQQVVRUSJQKJ-GFCCVEGCSA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001258721022 991652694 /nfs/dbraw/zinc/65/26/94/991652694.db2.gz LDUFQWSDHWVLND-SECBINFHSA-N 1 0 221.329 2.459 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC001258720767 991653097 /nfs/dbraw/zinc/65/30/97/991653097.db2.gz FRALRQZDNHMFML-NSHDSACASA-N 1 0 215.300 2.398 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)c1ccccn1 ZINC001258722298 991655497 /nfs/dbraw/zinc/65/54/97/991655497.db2.gz NIMJPHCZVGCADZ-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1c2ccccc2CNC1=O ZINC001258722442 991655549 /nfs/dbraw/zinc/65/55/49/991655549.db2.gz OOEGEDSHPQOTHX-SMDDNHRTSA-N 1 0 244.338 2.302 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)c1ccccn1 ZINC001258722682 991656707 /nfs/dbraw/zinc/65/67/07/991656707.db2.gz SUISEJFKCFUJAV-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)c1ccccn1 ZINC001258722685 991657154 /nfs/dbraw/zinc/65/71/54/991657154.db2.gz SUISEJFKCFUJAV-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cncn1CCF ZINC001258724553 991659923 /nfs/dbraw/zinc/65/99/23/991659923.db2.gz ZOWWVLVBGRWAQF-NSHDSACASA-N 1 0 225.311 2.297 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001258724612 991659982 /nfs/dbraw/zinc/65/99/82/991659982.db2.gz ATVODSAHSSIWHI-GHMZBOCLSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccnn1CCF ZINC001258723753 991660036 /nfs/dbraw/zinc/66/00/36/991660036.db2.gz DGTVYNZEMSVAFV-LLVKDONJSA-N 1 0 225.311 2.297 20 30 BEEDRO C=CCC[C@@H](C)n1c(C[NH3+])nc2cnccc21 ZINC001258724060 991660422 /nfs/dbraw/zinc/66/04/22/991660422.db2.gz MBDJWQIFAITRFU-SNVBAGLBSA-N 1 0 230.315 2.417 20 30 BEEDRO C=CCC[C@H](C)Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001258725196 991661873 /nfs/dbraw/zinc/66/18/73/991661873.db2.gz HKKLEMXSIJBBKI-GXTWGEPZSA-N 1 0 248.370 2.488 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cn(C3CC3)cn2)C1 ZINC001560947721 991662742 /nfs/dbraw/zinc/66/27/42/991662742.db2.gz GITOELSJCLZDKT-GFCCVEGCSA-N 1 0 229.327 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ncccc2F)C1 ZINC001560947766 991662839 /nfs/dbraw/zinc/66/28/39/991662839.db2.gz HFOFRIUTISIKJN-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C=CCC[C@@H](C)n1ccnc1CCC[NH3+] ZINC001258725184 991663486 /nfs/dbraw/zinc/66/34/86/991663486.db2.gz HBYDIDOMMPNORD-LLVKDONJSA-N 1 0 207.321 2.302 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](F)CC2)cn1 ZINC001140540132 991664950 /nfs/dbraw/zinc/66/49/50/991664950.db2.gz KIZVFZGIMVHHKN-LBPRGKRZSA-N 1 0 233.290 2.277 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140540603 991665690 /nfs/dbraw/zinc/66/56/90/991665690.db2.gz DAZMQFVGDFOHTH-NSHDSACASA-N 1 0 215.300 2.328 20 30 BEEDRO C#C[C@@H](CO)[NH2+]C/C=C\c1cc(C)c(C)cc1C ZINC001560951603 991667886 /nfs/dbraw/zinc/66/78/86/991667886.db2.gz MFDJYZRGPKCURD-WLMCBFPDSA-N 1 0 243.350 2.209 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001258728209 991668220 /nfs/dbraw/zinc/66/82/20/991668220.db2.gz MREITHAJRSQCJS-XQQFMLRXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCc2nccn2CC1 ZINC001258731573 991670011 /nfs/dbraw/zinc/67/00/11/991670011.db2.gz CDKVJHUWWAIVPD-LBPRGKRZSA-N 1 0 219.332 2.096 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001258730777 991670331 /nfs/dbraw/zinc/67/03/31/991670331.db2.gz NSRAZGIYDNALNQ-YNEHKIRRSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCC[C@@H](C)n1nc(COC)c2c1C[NH2+]C2 ZINC001258729704 991672380 /nfs/dbraw/zinc/67/23/80/991672380.db2.gz XIQYNBLFCAWKQD-SNVBAGLBSA-N 1 0 235.331 2.160 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)[C@H]1CCCN(C(C)=O)C1 ZINC001258732675 991675161 /nfs/dbraw/zinc/67/51/61/991675161.db2.gz BEKXUQXQGHNVMW-JSGCOSHPSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H](C)N1CC[NH+]2CCC1CC2 ZINC001258732782 991675817 /nfs/dbraw/zinc/67/58/17/991675817.db2.gz PYZPGOLLXVKVOX-GFCCVEGCSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCC(n2cnnc2)CC1 ZINC001258732943 991677727 /nfs/dbraw/zinc/67/77/27/991677727.db2.gz SCDMJNMOZTWUDU-GFCCVEGCSA-N 1 0 234.347 2.270 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@@](C)(C=C)CC ZINC001318571248 991679326 /nfs/dbraw/zinc/67/93/26/991679326.db2.gz WZLXITSZZDSBAI-OCCSQVGLSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001258733559 991680293 /nfs/dbraw/zinc/68/02/93/991680293.db2.gz IUXCYJYHDRWPCM-DGCLKSJQSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001258734648 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992495633 /nfs/dbraw/zinc/49/56/33/992495633.db2.gz BUNZYVMKOPTOPU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC/C=C/C[NH2+]CCC ZINC001321229959 992496269 /nfs/dbraw/zinc/49/62/69/992496269.db2.gz AYZXSDYXSHGLOD-VFNNOXKTSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC001321240046 992499731 /nfs/dbraw/zinc/49/97/31/992499731.db2.gz ACLFYRGIAMRMMY-FRRDWIJNSA-N 1 0 241.375 2.371 20 30 BEEDRO CCCCCCC[NH+]1CC([C@H](C)NC(C)=O)C1 ZINC001570828109 992522255 /nfs/dbraw/zinc/52/22/55/992522255.db2.gz FIVQFIBKSQYNFW-LBPRGKRZSA-N 1 0 240.391 2.413 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001570839140 992526720 /nfs/dbraw/zinc/52/67/20/992526720.db2.gz GUFHZYIYLJZUBL-LBPRGKRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCC(C)C ZINC001571376146 992542798 /nfs/dbraw/zinc/54/27/98/992542798.db2.gz LLYMPQJRERMPOH-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C/C=C(\C)C=C)[C@H]1C ZINC001571460431 992564198 /nfs/dbraw/zinc/56/41/98/992564198.db2.gz VPNQDSXWNUJFKB-NAICIEFVSA-N 1 0 248.370 2.274 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]CC(C)C)C[C@@H]1C ZINC001571472340 992566520 /nfs/dbraw/zinc/56/65/20/992566520.db2.gz CHOFYSMKJCSBFJ-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]CC(C)C)C[C@H]1C ZINC001571472338 992567116 /nfs/dbraw/zinc/56/71/16/992567116.db2.gz CHOFYSMKJCSBFJ-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CCC)[C@H]1C ZINC001571513788 992567776 /nfs/dbraw/zinc/56/77/76/992567776.db2.gz XAJMZOFMGAGTGH-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC=C)C1 ZINC001571530907 992569699 /nfs/dbraw/zinc/56/96/99/992569699.db2.gz UTWJDXNFLOKWGG-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC=C)C1 ZINC001571530905 992571181 /nfs/dbraw/zinc/57/11/81/992571181.db2.gz UTWJDXNFLOKWGG-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N[C@H](C[NH2+]CC)C(C)(C)C ZINC001571621131 992578345 /nfs/dbraw/zinc/57/83/45/992578345.db2.gz WXRULFSRQZXLPE-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1(OC)CCC1 ZINC001262010649 992597002 /nfs/dbraw/zinc/59/70/02/992597002.db2.gz LDETXHMUIRPYHP-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO CC[C@](C)([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC001262238086 992817127 /nfs/dbraw/zinc/81/71/27/992817127.db2.gz QYDMYIDVKRJCPN-KGLIPLIRSA-N 1 0 232.327 2.176 20 30 BEEDRO C=CCCCC[NH2+]Cc1c(C)cnn1COC ZINC001262353660 992856636 /nfs/dbraw/zinc/85/66/36/992856636.db2.gz HHLCFJKAHWTWAD-UHFFFAOYSA-N 1 0 237.347 2.241 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc(F)cc1 ZINC001262370054 992864799 /nfs/dbraw/zinc/86/47/99/992864799.db2.gz XLRQVPSTGSWKBP-LLVKDONJSA-N 1 0 205.276 2.322 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CCc1ccc(F)cc1 ZINC001262372490 992867210 /nfs/dbraw/zinc/86/72/10/992867210.db2.gz SPKKPUIQSHWZSP-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC001262566510 992921969 /nfs/dbraw/zinc/92/19/69/992921969.db2.gz RTAHNVWHIMSGAU-YPMHNXCESA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CCC(C)C ZINC001574881643 992934885 /nfs/dbraw/zinc/93/48/85/992934885.db2.gz MNNXCRLWQBTFCT-QWHCGFSZSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCCC(=O)N[C@@]1(C[NH3+])CCCC[C@@H]1C ZINC001574901952 992940173 /nfs/dbraw/zinc/94/01/73/992940173.db2.gz XXEDYCUEZQCXNK-GXTWGEPZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCCCN1CCC[C@@]12CC[NH2+]C2 ZINC001574907643 992941103 /nfs/dbraw/zinc/94/11/03/992941103.db2.gz VHUHPCMYSCDORG-ZDUSSCGKSA-N 1 0 208.349 2.171 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC(C)=C(C)C1 ZINC001574903261 992941874 /nfs/dbraw/zinc/94/18/74/992941874.db2.gz NLCUJBIQAGBUGH-ZDUSSCGKSA-N 1 0 236.359 2.239 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@@]12C[C@@H]1C[NH2+]C2 ZINC001574933552 992945597 /nfs/dbraw/zinc/94/55/97/992945597.db2.gz WJMRKAKAQWRWBU-OCCSQVGLSA-N 1 0 248.395 2.346 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)CC1CCCC1 ZINC001263079162 993102739 /nfs/dbraw/zinc/10/27/39/993102739.db2.gz HTGQUSCBWYBVHD-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001263086929 993104543 /nfs/dbraw/zinc/10/45/43/993104543.db2.gz SEOWBHKSCMOKKH-DGCLKSJQSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccnc1C ZINC001263094284 993110560 /nfs/dbraw/zinc/11/05/60/993110560.db2.gz BHLZVHIPQYOENK-NSHDSACASA-N 1 0 233.315 2.012 20 30 BEEDRO CC[C@H]([NH2+]C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001263197766 993162010 /nfs/dbraw/zinc/16/20/10/993162010.db2.gz FXRBSXHNOIJTMC-ZDUSSCGKSA-N 1 0 245.326 2.079 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC=C(Cl)C1 ZINC001263233095 993175627 /nfs/dbraw/zinc/17/56/27/993175627.db2.gz HEVZRQNPYMCOOC-LLVKDONJSA-N 1 0 242.750 2.025 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC001263255586 993177901 /nfs/dbraw/zinc/17/79/01/993177901.db2.gz DVIRHQFVRCQSNZ-RYUDHWBXSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1[NH2+]CCC1(C)C ZINC001263255609 993191328 /nfs/dbraw/zinc/19/13/28/993191328.db2.gz FIYPKTCJBIQPBR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH+](C)C1CCC(Oc2ncccc2C#N)CC1 ZINC000585655279 993286266 /nfs/dbraw/zinc/28/62/66/993286266.db2.gz ZXBWVTNBEQFVGS-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccoc1 ZINC000380142421 993316274 /nfs/dbraw/zinc/31/62/74/993316274.db2.gz VXOVYEDSVQHYQA-ZYHUDNBSSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000380180532 993318286 /nfs/dbraw/zinc/31/82/86/993318286.db2.gz LVYSOIWQVHBXQM-UTUOFQBUSA-N 1 0 229.389 2.307 20 30 BEEDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccc(Cl)cc1C#N ZINC001576611788 993366843 /nfs/dbraw/zinc/36/68/43/993366843.db2.gz NDEQXEXWWCYODT-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC001263725763 993477299 /nfs/dbraw/zinc/47/72/99/993477299.db2.gz NVUCJVBETKQWAF-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO CCCCCCC[NH2+]CCCNC(C)=O ZINC000383518847 993495261 /nfs/dbraw/zinc/49/52/61/993495261.db2.gz VDJLNHCNLBEDRX-UHFFFAOYSA-N 1 0 214.353 2.073 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)=C2CCC2)C1 ZINC001263832238 993538317 /nfs/dbraw/zinc/53/83/17/993538317.db2.gz MPEOBOYYQVRUCF-XBXGTLAGSA-N 1 0 248.370 2.157 20 30 BEEDRO CCCCCCN(O)C(=O)[C@H]([NH3+])CC(C)C ZINC001577432467 993662529 /nfs/dbraw/zinc/66/25/29/993662529.db2.gz DRGKCWXYNPBNBR-LLVKDONJSA-N 1 0 230.352 2.158 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001264451735 993728121 /nfs/dbraw/zinc/72/81/21/993728121.db2.gz OBZASUJKTQDRNI-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC ZINC001264736568 993744466 /nfs/dbraw/zinc/74/44/66/993744466.db2.gz VGZHLCHLIGVJRL-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC1(C(=O)NCCC[N@@H+](C)CC)CCC1 ZINC001265032156 993813082 /nfs/dbraw/zinc/81/30/82/993813082.db2.gz LHNANBUPJJFDTJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@@H+](CC)CCCNC(=O)[C@H](C)CC ZINC001265099655 993816448 /nfs/dbraw/zinc/81/64/48/993816448.db2.gz IFZNTLPGSTXQHB-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H]2C)cc1C#N ZINC000700722634 993848566 /nfs/dbraw/zinc/84/85/66/993848566.db2.gz QXACAFCANBESGD-NSHDSACASA-N 1 0 200.285 2.461 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001265463887 993861812 /nfs/dbraw/zinc/86/18/12/993861812.db2.gz BVSSDCNAGUXXOC-HAQNSBGRSA-N 1 0 248.326 2.015 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)CC)C1 ZINC001265526375 993873030 /nfs/dbraw/zinc/87/30/30/993873030.db2.gz ZEXJROGEWFJEKY-BETUJISGSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CCCC ZINC001265662842 993889979 /nfs/dbraw/zinc/88/99/79/993889979.db2.gz ZFNNHRIQOORWNS-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1CNC(=O)/C(C)=C/C ZINC001265643889 993891832 /nfs/dbraw/zinc/89/18/32/993891832.db2.gz WRWJQOGTKQADBG-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)cc1C#N ZINC000701829854 993913174 /nfs/dbraw/zinc/91/31/74/993913174.db2.gz KWXMUJULIDSCFB-HNNXBMFYSA-N 1 0 244.338 2.071 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)cc1C#N ZINC000701817928 993916155 /nfs/dbraw/zinc/91/61/55/993916155.db2.gz LEVAVYFIDGRAGT-DOMZBBRYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)cc1C#N ZINC000701815231 993916178 /nfs/dbraw/zinc/91/61/78/993916178.db2.gz CNIBVYNVECGCIT-DOMZBBRYSA-N 1 0 243.354 2.036 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001265811178 993947050 /nfs/dbraw/zinc/94/70/50/993947050.db2.gz NFABHPKFMLANCI-JSGCOSHPSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)c1ccccc1CC ZINC001265816175 993947626 /nfs/dbraw/zinc/94/76/26/993947626.db2.gz QKKRNZOYTWVNHA-GFCCVEGCSA-N 1 0 246.354 2.143 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]CC(=C)Cl ZINC001265808971 993948734 /nfs/dbraw/zinc/94/87/34/993948734.db2.gz OTKARJMJFMGQQJ-JTQLQIEISA-N 1 0 244.766 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)CCCC)C1 ZINC001265901552 993973949 /nfs/dbraw/zinc/97/39/49/993973949.db2.gz YXELQECNYWCNFX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000702311186 993986580 /nfs/dbraw/zinc/98/65/80/993986580.db2.gz NXESNKICEFSVSI-KGLIPLIRSA-N 1 0 249.329 2.497 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001266093690 994031715 /nfs/dbraw/zinc/03/17/15/994031715.db2.gz KDEYJLCOHWRJOT-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC=CCC1 ZINC001266125147 994039164 /nfs/dbraw/zinc/03/91/64/994039164.db2.gz VGTSLBSRPQNMPB-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC=CCC1 ZINC001266125144 994039859 /nfs/dbraw/zinc/03/98/59/994039859.db2.gz VGTSLBSRPQNMPB-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC=CCC1 ZINC001266125146 994040021 /nfs/dbraw/zinc/04/00/21/994040021.db2.gz VGTSLBSRPQNMPB-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CCCCCC(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001266137599 994046042 /nfs/dbraw/zinc/04/60/42/994046042.db2.gz OXADVGNPKZQJBG-CYBMUJFWSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC1(C)CC1 ZINC001266160693 994048972 /nfs/dbraw/zinc/04/89/72/994048972.db2.gz IPDUKUWXUASKSB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)CCC ZINC001266172969 994054053 /nfs/dbraw/zinc/05/40/53/994054053.db2.gz QRGITCXXRNIXSB-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)C/C=C(/C)C=C)C1 ZINC001279274361 994063746 /nfs/dbraw/zinc/06/37/46/994063746.db2.gz XXTJJCQEXVVDNW-GHXNOFRVSA-N 1 0 248.370 2.274 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(C)=O ZINC001279531238 994068788 /nfs/dbraw/zinc/06/87/88/994068788.db2.gz ZZYDSEXTXDFEKD-KBPBESRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC ZINC001282167659 994208883 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C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CCC(C)C ZINC001282356497 994227442 /nfs/dbraw/zinc/22/74/42/994227442.db2.gz VXLMGOGNFLIHCZ-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC001282448658 994230783 /nfs/dbraw/zinc/23/07/83/994230783.db2.gz CDIGKOUWUNNUBO-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)/C=C(\C)CC ZINC001282384281 994234890 /nfs/dbraw/zinc/23/48/90/994234890.db2.gz JCJZBQMIVHQHLT-YQCJOKCJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C1C[NH+](CCC)C1 ZINC001282732858 994250079 /nfs/dbraw/zinc/25/00/79/994250079.db2.gz BCIZWDQDTYFCGY-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC)C1 ZINC001283010958 994255472 /nfs/dbraw/zinc/25/54/72/994255472.db2.gz IMLZNIBJWHBWOS-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)C(C)C ZINC001283132952 994264663 /nfs/dbraw/zinc/26/46/63/994264663.db2.gz DXNISRDGSUZKRL-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001283221951 994268636 /nfs/dbraw/zinc/26/86/36/994268636.db2.gz LTIKLAOICAXRHQ-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)CC1(C)CC1 ZINC001283205778 994269386 /nfs/dbraw/zinc/26/93/86/994269386.db2.gz SBUCOHSLLFINCI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CCC(F)F ZINC001283644983 994287793 /nfs/dbraw/zinc/28/77/93/994287793.db2.gz ZYPAIVQKDDQBPB-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH+]1CCC([C@H](C)NC(=O)CCC)CC1 ZINC001284706142 994353633 /nfs/dbraw/zinc/35/36/33/994353633.db2.gz TVMMVDNULXAKEO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001316635509 994357390 /nfs/dbraw/zinc/35/73/90/994357390.db2.gz VFFMVLXFIWLXGZ-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)C)C1 ZINC001316639462 994382276 /nfs/dbraw/zinc/38/22/76/994382276.db2.gz KUZMMGWYVPWBJE-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO CC#CC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001335968410 994888538 /nfs/dbraw/zinc/88/85/38/994888538.db2.gz DPPQLAULMXRDMF-LBPRGKRZSA-N 1 0 241.693 2.125 20 30 BEEDRO CC#CC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001335968409 994888705 /nfs/dbraw/zinc/88/87/05/994888705.db2.gz DPPQLAULMXRDMF-GFCCVEGCSA-N 1 0 241.693 2.125 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001491574226 994983467 /nfs/dbraw/zinc/98/34/67/994983467.db2.gz FPNSBQZGGRUPDT-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001492043827 995014937 /nfs/dbraw/zinc/01/49/37/995014937.db2.gz PCJARURYPPIGOL-NEPJUHHUSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)[C@@H](C)C(C)(C)C ZINC001492043830 995016348 /nfs/dbraw/zinc/01/63/48/995016348.db2.gz PCJARURYPPIGOL-VXGBXAGGSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@](C)(C=C)CC ZINC001492077292 995021694 /nfs/dbraw/zinc/02/16/94/995021694.db2.gz DBTRUHBGHGGDKC-JSGCOSHPSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)C(C)C ZINC001492091949 995028033 /nfs/dbraw/zinc/02/80/33/995028033.db2.gz GWKHWVUJUYMKLY-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](C)CCC(C)C ZINC001492266669 995047052 /nfs/dbraw/zinc/04/70/52/995047052.db2.gz FXMNPYDKHQXCAV-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC001336810178 995109820 /nfs/dbraw/zinc/10/98/20/995109820.db2.gz GINXLASBVNQEAH-UWVGGRQHSA-N 1 0 237.265 2.081 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)c(C#N)cn1 ZINC001306948685 995275921 /nfs/dbraw/zinc/27/59/21/995275921.db2.gz YXBYLJKNQSTTSM-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1cc(F)ccc1C#N ZINC001307130570 995291943 /nfs/dbraw/zinc/29/19/43/995291943.db2.gz RVFWEXFAHFUONW-GXFFZTMASA-N 1 0 247.317 2.226 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC001307422314 995350383 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C=CCSCC[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001621239773 1170749759 /nfs/dbraw/zinc/74/97/59/1170749759.db2.gz HPVLPFQVJHVLEB-GHMZBOCLSA-N 1 0 245.388 2.035 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC001621404497 1170795661 /nfs/dbraw/zinc/79/56/61/1170795661.db2.gz LSNIJPAZSWMOQB-QWQWKMKNSA-N 1 0 204.317 2.457 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC001621504155 1170831597 /nfs/dbraw/zinc/83/15/97/1170831597.db2.gz UWUIWNWJAZKHJO-DOMZBBRYSA-N 1 0 249.329 2.293 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1nc(CO)cs1 ZINC001621554165 1170847256 /nfs/dbraw/zinc/84/72/56/1170847256.db2.gz NHYRKIWHCHAQHB-UHFFFAOYSA-N 1 0 240.372 2.424 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCOCC1 ZINC001621561760 1170851904 /nfs/dbraw/zinc/85/19/04/1170851904.db2.gz CPANGMQTHIOEQW-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC001621561890 1170852540 /nfs/dbraw/zinc/85/25/40/1170852540.db2.gz GJMIBSLHTIIROV-HZSPNIEDSA-N 1 0 248.370 2.333 20 30 BEEDRO CCOC1CC[NH+]([C@H](CC)CC#N)CC1 ZINC000040689420 1171149553 /nfs/dbraw/zinc/14/95/53/1171149553.db2.gz UILWNTJJMQLTSH-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043323630 1171276530 /nfs/dbraw/zinc/27/65/30/1171276530.db2.gz NHCBKAQPRKGUQK-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCCCC(C)C ZINC001629670294 1171337031 /nfs/dbraw/zinc/33/70/31/1171337031.db2.gz WJKQAYQANFRUKQ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC001634291148 1171639998 /nfs/dbraw/zinc/63/99/98/1171639998.db2.gz FDVKCVDCNLFOHU-YPMHNXCESA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1c(F)cccc1OC[C@@H]1CCC[NH2+]C1 ZINC000051883135 1171924320 /nfs/dbraw/zinc/92/43/20/1171924320.db2.gz XZZSVCFGCNFSHY-SNVBAGLBSA-N 1 0 234.274 2.076 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186716288 136207809 /nfs/dbraw/zinc/20/78/09/136207809.db2.gz ZCTRHNSPKTUCKI-KOLCDFICSA-N 1 0 239.290 2.119 20 30 BEEDRO CC[C@]1([NH2+]CCC(C)(C)C#N)CCOC1 ZINC000309055033 349438348 /nfs/dbraw/zinc/43/83/48/349438348.db2.gz TZWWOTRSAUFUOQ-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000378711979 346812196 /nfs/dbraw/zinc/81/21/96/346812196.db2.gz UMQLUWOZTNXUGJ-GRYCIOLGSA-N 1 0 225.332 2.272 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)on1 ZINC000126776525 136213595 /nfs/dbraw/zinc/21/35/95/136213595.db2.gz XZYVDCOOTODXRB-UHFFFAOYSA-N 1 0 221.304 2.403 20 30 BEEDRO C=CCOc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000422906901 398157178 /nfs/dbraw/zinc/15/71/78/398157178.db2.gz KNVYNTSMQXYTAQ-KBPBESRZSA-N 1 0 246.354 2.221 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000649340850 398157723 /nfs/dbraw/zinc/15/77/23/398157723.db2.gz AWJXPCIPGHRODR-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO N#CCc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000335865401 136214922 /nfs/dbraw/zinc/21/49/22/136214922.db2.gz IGOPOVANCFLHSR-UHFFFAOYSA-N 1 0 239.322 2.488 20 30 BEEDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000358607489 178025148 /nfs/dbraw/zinc/02/51/48/178025148.db2.gz DRJREJSDYAUBAC-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOCC2CC2)C1 ZINC000336689392 136216703 /nfs/dbraw/zinc/21/67/03/136216703.db2.gz KBARXZGOIMRUNE-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1CC ZINC000424290700 398180722 /nfs/dbraw/zinc/18/07/22/398180722.db2.gz BWLKNGMYBRTEFM-RVMXOQNASA-N 1 0 209.333 2.356 20 30 BEEDRO COC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C(C)C ZINC000378724398 346817819 /nfs/dbraw/zinc/81/78/19/346817819.db2.gz HYUHHAHBMXEUPS-AVGNSLFASA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(CN[C@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423021749 398161961 /nfs/dbraw/zinc/16/19/61/398161961.db2.gz CSTJHYGHNFMPNL-WFASDCNBSA-N 1 0 230.355 2.287 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000649349126 398162212 /nfs/dbraw/zinc/16/22/12/398162212.db2.gz FGHGZOIKOHHSAI-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000649349128 398162259 /nfs/dbraw/zinc/16/22/59/398162259.db2.gz FGHGZOIKOHHSAI-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000309115140 136217636 /nfs/dbraw/zinc/21/76/36/136217636.db2.gz LEWJEEJWKCCMMN-AGIUHOORSA-N 1 0 211.349 2.339 20 30 BEEDRO CCC#C[C@@H](C)N(C)CC[NH+]1CCCCC1 ZINC000649889417 398165522 /nfs/dbraw/zinc/16/55/22/398165522.db2.gz XTPZOVXDTOXFGO-CQSZACIVSA-N 1 0 222.376 2.206 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H]1CCCOC1 ZINC000446759534 201695695 /nfs/dbraw/zinc/69/56/95/201695695.db2.gz GKNRMURBVBCGPV-XDQVBPFNSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000649393274 398198258 /nfs/dbraw/zinc/19/82/58/398198258.db2.gz ZFNRGXMBNBXGRM-UHFFFAOYSA-N 1 0 205.305 2.124 20 30 BEEDRO CCC[C@@]1([NH2+]CCCSCC#N)CCOC1 ZINC000336737668 136218956 /nfs/dbraw/zinc/21/89/56/136218956.db2.gz NQHZSZLDZLSWSH-GFCCVEGCSA-N 1 0 242.388 2.182 20 30 BEEDRO CCC[C@]1([NH2+]CCCSCC#N)CCOC1 ZINC000336737669 136218994 /nfs/dbraw/zinc/21/89/94/136218994.db2.gz NQHZSZLDZLSWSH-LBPRGKRZSA-N 1 0 242.388 2.182 20 30 BEEDRO CCOCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000382801431 398202288 /nfs/dbraw/zinc/20/22/88/398202288.db2.gz SHGOXVNHIMSDHW-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000649976790 398204202 /nfs/dbraw/zinc/20/42/02/398204202.db2.gz RALQHKOMMBQUDM-FQUUOJAGSA-N 1 0 233.355 2.336 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000335483964 398204647 /nfs/dbraw/zinc/20/46/47/398204647.db2.gz UQUVQZAIBLVNLR-ZWNOBZJWSA-N 1 0 240.310 2.094 20 30 BEEDRO Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000363934548 136219931 /nfs/dbraw/zinc/21/99/31/136219931.db2.gz YICBKMGCVCWFQM-QWHCGFSZSA-N 1 0 246.358 2.340 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000576279502 365547938 /nfs/dbraw/zinc/54/79/38/365547938.db2.gz ZHWZHYXHXFQOKF-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2C#N)C1 ZINC000335543159 398205931 /nfs/dbraw/zinc/20/59/31/398205931.db2.gz HYIKYMXYHRFZKI-QWHCGFSZSA-N 1 0 244.338 2.009 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1 ZINC000186714667 349517623 /nfs/dbraw/zinc/51/76/23/349517623.db2.gz OBCJOFHQYPFPFK-MFKMUULPSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnc2c(C)cccn12 ZINC000119646265 136220769 /nfs/dbraw/zinc/22/07/69/136220769.db2.gz DLGYFIICXRPDKZ-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192133689 136220992 /nfs/dbraw/zinc/22/09/92/136220992.db2.gz NCAVWEZRGXGAOH-STQMWFEESA-N 1 0 237.249 2.018 20 30 BEEDRO Cc1cc(NCC(C)(C)C[NH+](C)C)cc(C#N)n1 ZINC000308266938 178157060 /nfs/dbraw/zinc/15/70/60/178157060.db2.gz ISRMKKVMYPZRFW-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000334569898 136221919 /nfs/dbraw/zinc/22/19/19/136221919.db2.gz PWPLGLUHJVBJPZ-CHWSQXEVSA-N 1 0 236.359 2.354 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccccc1O ZINC000122459897 136222242 /nfs/dbraw/zinc/22/22/42/136222242.db2.gz HUCKMECHNBQNBO-UHFFFAOYSA-N 1 0 204.273 2.176 20 30 BEEDRO CCC[C@@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341997148 136222691 /nfs/dbraw/zinc/22/26/91/136222691.db2.gz VTARWJSUQVBDES-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)C[C@@H](CNc1cccc(C#N)n1)[NH+](C)C ZINC000265570970 187332276 /nfs/dbraw/zinc/33/22/76/187332276.db2.gz VAECZRGAQSGWTK-ZDUSSCGKSA-N 1 0 246.358 2.341 20 30 BEEDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc(C#N)n1 ZINC000308279723 178190941 /nfs/dbraw/zinc/19/09/41/178190941.db2.gz WZRQKOURWTZQFC-RYUDHWBXSA-N 1 0 244.342 2.156 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000187694889 259302586 /nfs/dbraw/zinc/30/25/86/259302586.db2.gz SAPKYUSEDFIOCY-GFCCVEGCSA-N 1 0 247.404 2.098 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOCC1CCCC1 ZINC000313308672 343987033 /nfs/dbraw/zinc/98/70/33/343987033.db2.gz ULWBUYJCMZRIPS-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(OC)CC1 ZINC000421394290 192328743 /nfs/dbraw/zinc/32/87/43/192328743.db2.gz FZSQKUAZINEJHB-NEPJUHHUSA-N 1 0 226.364 2.203 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(OC)CC1 ZINC000421404485 192331181 /nfs/dbraw/zinc/33/11/81/192331181.db2.gz YTOMMDATFUTJKI-GFCCVEGCSA-N 1 0 226.364 2.347 20 30 BEEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@@H](C)CCC#N ZINC000602435451 349522191 /nfs/dbraw/zinc/52/21/91/349522191.db2.gz TZTVJZUDOPNGBM-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000602435391 349522623 /nfs/dbraw/zinc/52/26/23/349522623.db2.gz SVXPSWYJMUAXAA-JTQLQIEISA-N 1 0 243.310 2.339 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421369026 192334478 /nfs/dbraw/zinc/33/44/78/192334478.db2.gz VQFBEQNDMXBFBU-MRVPVSSYSA-N 1 0 227.739 2.436 20 30 BEEDRO CCN1CCC([N@H+](C)C[C@H](C)CCC#N)CC1 ZINC000602436492 349523157 /nfs/dbraw/zinc/52/31/57/349523157.db2.gz OUHRMFPGQDQAFV-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO COc1c(O)cccc1C[NH2+]CC1(CC#N)CC1 ZINC000430761283 398231262 /nfs/dbraw/zinc/23/12/62/398231262.db2.gz VBDNKPSAADPNLI-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000602439929 349526638 /nfs/dbraw/zinc/52/66/38/349526638.db2.gz HSMPOMSFWASYQK-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2cnccn12 ZINC000281551281 398236708 /nfs/dbraw/zinc/23/67/08/398236708.db2.gz ZXAJELHRYDNADG-LLVKDONJSA-N 1 0 230.315 2.174 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](C)OC)cc1 ZINC000191153363 136227645 /nfs/dbraw/zinc/22/76/45/136227645.db2.gz IGMGAHFHOAPCLG-CYBMUJFWSA-N 1 0 247.338 2.213 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191985387 398247133 /nfs/dbraw/zinc/24/71/33/398247133.db2.gz FXFRFLJFJFUTFT-INIZCTEOSA-N 1 0 242.366 2.064 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCC1(C)C ZINC000576646446 365649339 /nfs/dbraw/zinc/64/93/39/365649339.db2.gz AVKGTZMDBVFSEA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC[N@H+](C[C@H](C)CCC#N)CC(C)(C)O ZINC000602465647 349538964 /nfs/dbraw/zinc/53/89/64/349538964.db2.gz RBUZHYDZDDVKNC-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000343517316 136230664 /nfs/dbraw/zinc/23/06/64/136230664.db2.gz YGBUMCIHAHGALK-IYXRBSQSSA-N 1 0 238.375 2.378 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@H]1CCCCO1 ZINC000602449667 349550683 /nfs/dbraw/zinc/55/06/83/349550683.db2.gz QJDVEKOIWMRMQK-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCOCC[N@H+](CC)C[C@H](C)CCC#N ZINC000602450174 349551001 /nfs/dbraw/zinc/55/10/01/349551001.db2.gz ITVWIVWBKIUPHE-GFCCVEGCSA-N 1 0 212.337 2.285 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)n1)CC(C)(C)C ZINC000602451034 349551657 /nfs/dbraw/zinc/55/16/57/349551657.db2.gz YQKOVRRTGMPJHR-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CCC[N@@H+](CC(=O)OCC)C[C@@H](C)CCC#N ZINC000602451306 349551879 /nfs/dbraw/zinc/55/18/79/349551879.db2.gz XLXAVZQKFZQBBG-LBPRGKRZSA-N 1 0 240.347 2.201 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)C[C@@H](C)O1 ZINC000602451661 349552788 /nfs/dbraw/zinc/55/27/88/349552788.db2.gz AZMIRHYAFHNUHH-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO Cc1ccc(C#N)c(NCC(C)(C)[NH+](C)C)n1 ZINC000043411790 178363060 /nfs/dbraw/zinc/36/30/60/178363060.db2.gz WYWYILLKQDPAQW-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000602443555 349545113 /nfs/dbraw/zinc/54/51/13/349545113.db2.gz FPKNUXRQVUGSMJ-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccco1 ZINC000602501621 349561463 /nfs/dbraw/zinc/56/14/63/349561463.db2.gz DLROCWLWIBZDSC-LBPRGKRZSA-N 1 0 248.326 2.468 20 30 BEEDRO CCC1(O)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602477162 349564156 /nfs/dbraw/zinc/56/41/56/349564156.db2.gz RGPDCWNIKJLXSS-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CC1CCOCC1 ZINC000602477449 349564669 /nfs/dbraw/zinc/56/46/69/349564669.db2.gz XBSRBBUAAJCQQA-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(N(C)C)CCCC1 ZINC000602502222 349561228 /nfs/dbraw/zinc/56/12/28/349561228.db2.gz KIZBFWFBYNFMBM-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1CO ZINC000602520473 349575130 /nfs/dbraw/zinc/57/51/30/349575130.db2.gz GJMDDQLJXNNFGL-LBPRGKRZSA-N 1 0 232.327 2.208 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000602547050 349590386 /nfs/dbraw/zinc/59/03/86/349590386.db2.gz OYWYDFWSJSCKLE-ZFWWWQNUSA-N 1 0 246.354 2.119 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000378750845 346827104 /nfs/dbraw/zinc/82/71/04/346827104.db2.gz URAQPNPSOBJTKA-IMSYWVGJSA-N 1 0 214.259 2.312 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccoc1 ZINC000602524869 349576839 /nfs/dbraw/zinc/57/68/39/349576839.db2.gz GLFRXASKXMPMNW-LBPRGKRZSA-N 1 0 248.326 2.468 20 30 BEEDRO CC(C)(C)OCC[NH2+]C1CCC(C#N)CC1 ZINC000602523321 349576881 /nfs/dbraw/zinc/57/68/81/349576881.db2.gz AUADVARPRGQXFP-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO CCOCCC[NH2+]C1CCC(C#N)CC1 ZINC000602503194 349579968 /nfs/dbraw/zinc/57/99/68/349579968.db2.gz OIRCPIAJZZYPIV-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCOC1CCCC1 ZINC000602531035 349579971 /nfs/dbraw/zinc/57/99/71/349579971.db2.gz VRXLMJLMAZSWCL-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)c1ccccc1 ZINC000602547499 349590491 /nfs/dbraw/zinc/59/04/91/349590491.db2.gz PWIGNHUAXALXDM-GXTWGEPZSA-N 1 0 232.327 2.249 20 30 BEEDRO C[C@H](CN1CCCCC1)[NH2+]C[C@@H](C)CCC#N ZINC000602508634 349584127 /nfs/dbraw/zinc/58/41/27/349584127.db2.gz OJXXXLYOGUKCBN-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO COc1ccc(C[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602510273 349584571 /nfs/dbraw/zinc/58/45/71/349584571.db2.gz KPXXETADYPLRBE-LLVKDONJSA-N 1 0 233.315 2.120 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]C[C@H](C)CCC#N ZINC000602546906 349590177 /nfs/dbraw/zinc/59/01/77/349590177.db2.gz HAXJONASZKXUCS-VXGBXAGGSA-N 1 0 212.337 2.067 20 30 BEEDRO Cc1nc(C[NH2+]C[C@@H](C)CCC#N)cs1 ZINC000602513352 349586088 /nfs/dbraw/zinc/58/60/88/349586088.db2.gz WJZFUYZBTUTIFH-VIFPVBQESA-N 1 0 223.345 2.481 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCCC[C@H]1C ZINC000602514459 349587060 /nfs/dbraw/zinc/58/70/60/349587060.db2.gz JOPKOXZJFXAWQT-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602546400 349589657 /nfs/dbraw/zinc/58/96/57/349589657.db2.gz MHKCZYPNOKNZQU-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO CCN1CCCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602546328 349589701 /nfs/dbraw/zinc/58/97/01/349589701.db2.gz KGLRLOAICZGCPC-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CCSCC[NH2+]C1CC(n2cccn2)C1 ZINC000602546625 349589732 /nfs/dbraw/zinc/58/97/32/349589732.db2.gz WAZFSQDLQKHEDL-UHFFFAOYSA-N 1 0 237.372 2.095 20 30 BEEDRO CCN1CCCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602546330 349589750 /nfs/dbraw/zinc/58/97/50/349589750.db2.gz KGLRLOAICZGCPC-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000649468475 398269094 /nfs/dbraw/zinc/26/90/94/398269094.db2.gz CQCHLXZFYUZTHC-STQMWFEESA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183329114 346841003 /nfs/dbraw/zinc/84/10/03/346841003.db2.gz DBGHAODGBOOZDZ-JQWIXIFHSA-N 1 0 219.332 2.425 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCC(F)(F)F ZINC000602560029 349599755 /nfs/dbraw/zinc/59/97/55/349599755.db2.gz HQSCTFMRSLACCV-MRVPVSSYSA-N 1 0 208.227 2.468 20 30 BEEDRO CO[C@@H](C[NH2+]CCCCC#N)C1CCCC1 ZINC000602539553 349604708 /nfs/dbraw/zinc/60/47/08/349604708.db2.gz ISURFEGQZONHCD-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)C1CCCCC1 ZINC000602534280 349602221 /nfs/dbraw/zinc/60/22/21/349602221.db2.gz RWMVYBXYWAOVDI-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602535862 349602961 /nfs/dbraw/zinc/60/29/61/349602961.db2.gz ZLTBFSBVIBTRQK-UHFFFAOYSA-N 1 0 203.289 2.231 20 30 BEEDRO C=CCN1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602537681 349603611 /nfs/dbraw/zinc/60/36/11/349603611.db2.gz CCQRDVAAQNIEBC-UHFFFAOYSA-N 1 0 247.386 2.309 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000378851389 346846745 /nfs/dbraw/zinc/84/67/45/346846745.db2.gz FUKZVBZNAJOYGK-AGIUHOORSA-N 1 0 224.348 2.472 20 30 BEEDRO CCC(CC)[C@@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602551000 349593144 /nfs/dbraw/zinc/59/31/44/349593144.db2.gz AUCWQDZHPMWFFH-UBHUBRDASA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602551199 349593147 /nfs/dbraw/zinc/59/31/47/349593147.db2.gz NOSNOGOHORRXIS-WXRRBKDZSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@]1(C)CCCO1 ZINC000378865119 346849652 /nfs/dbraw/zinc/84/96/52/346849652.db2.gz YPYBYLIXFDKFOR-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]C[C@@H](C)CCC#N ZINC000602552019 349593903 /nfs/dbraw/zinc/59/39/03/349593903.db2.gz RLRRQBYDOUODQW-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]C[C@@H](C)CCC#N ZINC000602552235 349594099 /nfs/dbraw/zinc/59/40/99/349594099.db2.gz HNEYCZNLMZBMSE-WCQYABFASA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1cscn1 ZINC000602554125 349595223 /nfs/dbraw/zinc/59/52/23/349595223.db2.gz FLRBQLAVCSEDRR-JTQLQIEISA-N 1 0 223.345 2.215 20 30 BEEDRO Cc1ccc(CC[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602553904 349595392 /nfs/dbraw/zinc/59/53/92/349595392.db2.gz XTGRKMFTQRFEQK-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000602554305 349596130 /nfs/dbraw/zinc/59/61/30/349596130.db2.gz FVZQFKZEWIWEHR-XQHKEYJVSA-N 1 0 236.359 2.329 20 30 BEEDRO COc1cc(C[C@H](C)[NH2+]CCCCC#N)ccn1 ZINC000602541184 349606045 /nfs/dbraw/zinc/60/60/45/349606045.db2.gz NMTZIAMHEJEIDL-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000602578226 349606861 /nfs/dbraw/zinc/60/68/61/349606861.db2.gz LTESXQZPEDUMMP-WOPDTQHZSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCOCC1 ZINC000602582066 349609974 /nfs/dbraw/zinc/60/99/74/349609974.db2.gz NIFHHUBPOXUKTO-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000186709050 342718028 /nfs/dbraw/zinc/71/80/28/342718028.db2.gz YWZQICYXPOSAHM-WCQYABFASA-N 1 0 237.347 2.052 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)C1CC(F)(F)C1 ZINC000600144526 342689827 /nfs/dbraw/zinc/68/98/27/342689827.db2.gz KZBZLHQNUDLJMX-MRVPVSSYSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@]1(CN2CC[C@@](F)(C#N)C2)CCCS1 ZINC000600150191 342691339 /nfs/dbraw/zinc/69/13/39/342691339.db2.gz AYXRQYPZQRFKDJ-WDEREUQCSA-N 1 0 228.336 2.210 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000600153324 342691793 /nfs/dbraw/zinc/69/17/93/342691793.db2.gz JBEOBSOKQJFQDP-DLOVCJGASA-N 1 0 204.317 2.314 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(C)(C)C ZINC000309577135 259316706 /nfs/dbraw/zinc/31/67/06/259316706.db2.gz PFHYHIOKAYBCLF-UPJWGTAASA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCNc1ccccn1 ZINC000602587499 349612622 /nfs/dbraw/zinc/61/26/22/349612622.db2.gz IJMPAXFLJNDNSZ-ZDUSSCGKSA-N 1 0 246.358 2.413 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC000613255110 361854648 /nfs/dbraw/zinc/85/46/48/361854648.db2.gz LGGQNNADFKBRJD-SWLSCSKDSA-N 1 0 244.338 2.351 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)C(F)(F)F ZINC000381843577 398276892 /nfs/dbraw/zinc/27/68/92/398276892.db2.gz VAPPBEYMDCMPDO-QMMMGPOBSA-N 1 0 225.254 2.102 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000309594810 342729789 /nfs/dbraw/zinc/72/97/89/342729789.db2.gz VWEFHPLAINLKLO-MNOVXSKESA-N 1 0 217.316 2.477 20 30 BEEDRO CCN1CCC[N@H+](CCCCC#N)[C@H](C)C1 ZINC000320301217 342733220 /nfs/dbraw/zinc/73/32/20/342733220.db2.gz IYBXNJDGLHFUDI-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cscn1 ZINC000320296714 342733260 /nfs/dbraw/zinc/73/32/60/342733260.db2.gz RHXHZPYDUSLOOH-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CC1 ZINC000602566283 349618664 /nfs/dbraw/zinc/61/86/64/349618664.db2.gz WWYYKHZXOIGYCZ-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C1(C)C ZINC000602564996 349616951 /nfs/dbraw/zinc/61/69/51/349616951.db2.gz YJGLSGTXQBLYFZ-IFWUJCSASA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000602568738 349620203 /nfs/dbraw/zinc/62/02/03/349620203.db2.gz LRRLCHCGRYICRC-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]C1CCC(C#N)CC1 ZINC000602570223 349620666 /nfs/dbraw/zinc/62/06/66/349620666.db2.gz SVPXHRGQQKRVRY-AHPWVWPOSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC(C)C1 ZINC000602570570 349621117 /nfs/dbraw/zinc/62/11/17/349621117.db2.gz CVZRRNXKKUQHQC-CPCZMJQVSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000602574542 349623927 /nfs/dbraw/zinc/62/39/27/349623927.db2.gz AYVRKOTUMKEQDB-WOPDTQHZSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC3(C2)CCOCC3)o1 ZINC000271174405 187335677 /nfs/dbraw/zinc/33/56/77/187335677.db2.gz AWYVPNRXAFDKPZ-UHFFFAOYSA-N 1 0 246.310 2.154 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602574467 349624246 /nfs/dbraw/zinc/62/42/46/349624246.db2.gz VQYVEKQNZZHBPW-HIFPTAJRSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000186693144 538974469 /nfs/dbraw/zinc/97/44/69/538974469.db2.gz HQIMVLLRMKTMLV-JSGCOSHPSA-N 1 0 235.302 2.340 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cnc(C)s1 ZINC000186692415 538974708 /nfs/dbraw/zinc/97/47/08/538974708.db2.gz QMOKDEGAKLOIAH-SCZZXKLOSA-N 1 0 226.345 2.039 20 30 BEEDRO CN(CCC1CC1)Cc1nc(C#N)cs1 ZINC000356129342 398289228 /nfs/dbraw/zinc/28/92/28/398289228.db2.gz BFIQXXAWJXIXPQ-UHFFFAOYSA-N 1 0 221.329 2.247 20 30 BEEDRO CCN(CCC#N)CCN(C)c1ccccc1 ZINC000085821702 398289968 /nfs/dbraw/zinc/28/99/68/398289968.db2.gz GENQYIYSRKGEIS-UHFFFAOYSA-N 1 0 231.343 2.358 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000380269502 538987935 /nfs/dbraw/zinc/98/79/35/538987935.db2.gz VLRAVXYCDFJYRQ-NEPJUHHUSA-N 1 0 213.365 2.443 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOCC2(CC2)C1 ZINC000602603399 349626400 /nfs/dbraw/zinc/62/64/00/349626400.db2.gz ZYQPLMNRZCIDJU-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000380320460 538989280 /nfs/dbraw/zinc/98/92/80/538989280.db2.gz KFYYPPFGLURDQC-RWMBFGLXSA-N 1 0 209.333 2.051 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000335623749 136240322 /nfs/dbraw/zinc/24/03/22/136240322.db2.gz LDRLLTDBPGYNKN-WCQYABFASA-N 1 0 220.316 2.005 20 30 BEEDRO N#CCCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000602604961 349627264 /nfs/dbraw/zinc/62/72/64/349627264.db2.gz SIIJZORQMKNKKN-AWEZNQCLSA-N 1 0 243.354 2.406 20 30 BEEDRO CO[C@@H](C[NH2+]CCCC#N)C1CCCC1 ZINC000602604933 349627374 /nfs/dbraw/zinc/62/73/74/349627374.db2.gz RPAGEBDFZLCARQ-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000304254091 398295179 /nfs/dbraw/zinc/29/51/79/398295179.db2.gz ADIYMERJKOYWAR-ZWNOBZJWSA-N 1 0 236.315 2.038 20 30 BEEDRO C[C@H](CCO)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449356383 398297196 /nfs/dbraw/zinc/29/71/96/398297196.db2.gz HJSSUGNYRCXPLX-XQQFMLRXSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1ccnc(C#N)c1 ZINC000061812159 398298556 /nfs/dbraw/zinc/29/85/56/398298556.db2.gz UWTGFRCSQKDYQW-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)cc1 ZINC000389445104 539016588 /nfs/dbraw/zinc/01/65/88/539016588.db2.gz MMERKXNUQCYLOZ-UHFFFAOYSA-N 1 0 209.264 2.118 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)Cc1cccs1 ZINC000389865321 539018091 /nfs/dbraw/zinc/01/80/91/539018091.db2.gz GJDGEWBEJDUIIH-NSHDSACASA-N 1 0 225.357 2.471 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000342828877 342865058 /nfs/dbraw/zinc/86/50/58/342865058.db2.gz CAXOJUXVSPBQMM-YPMHNXCESA-N 1 0 244.342 2.156 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000351336114 136244199 /nfs/dbraw/zinc/24/41/99/136244199.db2.gz YNJGBHXCQXXSFS-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)C#N ZINC000602608695 349631989 /nfs/dbraw/zinc/63/19/89/349631989.db2.gz WAYPERRGUVNIKL-LBPRGKRZSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(OC)s1 ZINC000389208361 398306954 /nfs/dbraw/zinc/30/69/54/398306954.db2.gz HNRJJKZDMRBCQU-MRVPVSSYSA-N 1 0 212.318 2.206 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCCOC1 ZINC000602609853 349633533 /nfs/dbraw/zinc/63/35/33/349633533.db2.gz XSJGOXARXZYKLY-AHPWVWPOSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@@H+](Cc1cc(C)c(C(=O)OC)[nH]1)C1CC1 ZINC000602610560 349635033 /nfs/dbraw/zinc/63/50/33/349635033.db2.gz BIQIGOILTOHISZ-UHFFFAOYSA-N 1 0 248.326 2.260 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000226595506 342899695 /nfs/dbraw/zinc/89/96/95/342899695.db2.gz BFZXSULCOZUWQA-WOPDTQHZSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CCO)c1ccco1 ZINC000602612509 349636738 /nfs/dbraw/zinc/63/67/38/349636738.db2.gz UBQZHRMJHMUOQL-NWDGAFQWSA-N 1 0 236.315 2.233 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccccc1OCC ZINC000104161647 398323865 /nfs/dbraw/zinc/32/38/65/398323865.db2.gz SEQMUVDRTMPQDF-UHFFFAOYSA-N 1 0 247.342 2.066 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CCO)c1ccco1 ZINC000602612511 349636382 /nfs/dbraw/zinc/63/63/82/349636382.db2.gz UBQZHRMJHMUOQL-VXGBXAGGSA-N 1 0 236.315 2.233 20 30 BEEDRO Cc1nnc([C@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000602613741 349637410 /nfs/dbraw/zinc/63/74/10/349637410.db2.gz PQTRSDZYZGXWCW-BDAKNGLRSA-N 1 0 238.360 2.437 20 30 BEEDRO Cc1nnc([C@@H](C)[NH2+]C[C@H](C)CCC#N)s1 ZINC000602613744 349637414 /nfs/dbraw/zinc/63/74/14/349637414.db2.gz PQTRSDZYZGXWCW-RKDXNWHRSA-N 1 0 238.360 2.437 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(CO)CCCC1 ZINC000602620642 349641124 /nfs/dbraw/zinc/64/11/24/349641124.db2.gz ZCCVKPYGIUYTAT-GFCCVEGCSA-N 1 0 224.348 2.069 20 30 BEEDRO CC[C@@]1([NH2+]C[C@@H](C)CCC#N)CCOC1 ZINC000602631261 349648483 /nfs/dbraw/zinc/64/84/83/349648483.db2.gz PUTLVGNISIUEOY-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO CCC(O)(CC)CC[NH2+]C[C@@H](C)CCC#N ZINC000602633742 349649698 /nfs/dbraw/zinc/64/96/98/349649698.db2.gz XYSTWBPMYJQCCB-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000602623566 349642361 /nfs/dbraw/zinc/64/23/61/349642361.db2.gz ILMBMWVXLMCNGJ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CCC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000602596687 349644521 /nfs/dbraw/zinc/64/45/21/349644521.db2.gz MUXAFCNNQSACSZ-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cs1 ZINC000602600044 349645977 /nfs/dbraw/zinc/64/59/77/349645977.db2.gz GQHVDXUBZXQKHY-JTQLQIEISA-N 1 0 237.328 2.016 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@@H](C)CCC#N)c1nncn1C ZINC000602652394 349660125 /nfs/dbraw/zinc/66/01/25/349660125.db2.gz YABUHMIVKBIDCD-NWDGAFQWSA-N 1 0 249.362 2.042 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cnc2n1CCCC2 ZINC000602653734 349660227 /nfs/dbraw/zinc/66/02/27/349660227.db2.gz OMHMMFWLVDNXJJ-LBPRGKRZSA-N 1 0 246.358 2.249 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)CC1CCC1 ZINC000602637606 349651257 /nfs/dbraw/zinc/65/12/57/349651257.db2.gz HDFOEIBTWSDRIZ-WCQYABFASA-N 1 0 224.348 2.067 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000309957785 398329270 /nfs/dbraw/zinc/32/92/70/398329270.db2.gz JJZDXSXJMICJDL-ZMWSMAPVSA-N 1 0 236.340 2.036 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)[C@H](C)C1 ZINC000602654661 349660982 /nfs/dbraw/zinc/66/09/82/349660982.db2.gz IMOMFJMVRFDCDT-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO N#CCC1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000602641365 349653647 /nfs/dbraw/zinc/65/36/47/349653647.db2.gz ADTLZYPKZLXWJP-ZSBIGDGJSA-N 1 0 204.317 2.316 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000119866404 398329892 /nfs/dbraw/zinc/32/98/92/398329892.db2.gz GNHREYVXBITPAE-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000602642222 349654640 /nfs/dbraw/zinc/65/46/40/349654640.db2.gz ARRRNXNCDNSTOK-UHFFFAOYSA-N 1 0 236.315 2.247 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCSC2)CC1 ZINC000602643486 349655213 /nfs/dbraw/zinc/65/52/13/349655213.db2.gz LFXDUYUOQVZBET-CXQJBGSLSA-N 1 0 224.373 2.411 20 30 BEEDRO Cc1c(C[N@@H+](C)C[C@H](C)CCC#N)cnn1C ZINC000602643095 349655371 /nfs/dbraw/zinc/65/53/71/349655371.db2.gz IAVGIBFRAJOABH-LLVKDONJSA-N 1 0 234.347 2.100 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC(C2CCOCC2)C1 ZINC000602654430 349661187 /nfs/dbraw/zinc/66/11/87/349661187.db2.gz UOQGJJQIMSTOND-LBPRGKRZSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCSC1 ZINC000602645743 349657693 /nfs/dbraw/zinc/65/76/93/349657693.db2.gz ZIYSVKRJMKNCBG-WDEREUQCSA-N 1 0 212.362 2.269 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602647277 349657743 /nfs/dbraw/zinc/65/77/43/349657743.db2.gz ZDVGTKIMUSBOIR-IHRRRGAJSA-N 1 0 236.359 2.497 20 30 BEEDRO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@H](C)CCC#N ZINC000602649558 349658700 /nfs/dbraw/zinc/65/87/00/349658700.db2.gz WKUREACGRGMPRK-NEPJUHHUSA-N 1 0 240.347 2.200 20 30 BEEDRO COC1(CC[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602674999 349668254 /nfs/dbraw/zinc/66/82/54/349668254.db2.gz HRZCQCUFTKSGJK-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000602674867 349668270 /nfs/dbraw/zinc/66/82/70/349668270.db2.gz FFBLEOPAJWNADQ-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@@H](C[NH2+]C[C@@H](C)CCC#N)OC ZINC000602675192 349668469 /nfs/dbraw/zinc/66/84/69/349668469.db2.gz SPYVTAVYAFPXQS-RYUDHWBXSA-N 1 0 212.337 2.331 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccnn1CC1CCC1 ZINC000631089553 398336583 /nfs/dbraw/zinc/33/65/83/398336583.db2.gz VXVOSVMQGNPENQ-NSHDSACASA-N 1 0 219.332 2.347 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602676058 349669228 /nfs/dbraw/zinc/66/92/28/349669228.db2.gz BZYUDRXVIDZUGH-YNEHKIRRSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602676055 349669387 /nfs/dbraw/zinc/66/93/87/349669387.db2.gz BZYUDRXVIDZUGH-RWMBFGLXSA-N 1 0 224.348 2.019 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@H]2CC2(C)C)cc1 ZINC000262003862 536654764 /nfs/dbraw/zinc/65/47/64/536654764.db2.gz QTXXFIGGXNXOJQ-NSHDSACASA-N 1 0 233.315 2.220 20 30 BEEDRO Cc1nocc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000602676823 349670049 /nfs/dbraw/zinc/67/00/49/349670049.db2.gz RUFUITDOTXBXBY-PWSUYJOCSA-N 1 0 219.288 2.155 20 30 BEEDRO CC[C@H]1C[N@H+](C[C@H](C)CCC#N)CCCO1 ZINC000602656155 349662017 /nfs/dbraw/zinc/66/20/17/349662017.db2.gz MYMUIENQCSDZDT-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCOC(F)F ZINC000602656374 349662106 /nfs/dbraw/zinc/66/21/06/349662106.db2.gz ACDDMGCDHIHGIF-SECBINFHSA-N 1 0 220.263 2.145 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000602657107 349662623 /nfs/dbraw/zinc/66/26/23/349662623.db2.gz WRJOVMDYWMRZBM-ILXRZTDVSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000602627010 349664384 /nfs/dbraw/zinc/66/43/84/349664384.db2.gz OKZDYHYPIASEFX-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000602629309 349665300 /nfs/dbraw/zinc/66/53/00/349665300.db2.gz MKPXLRNGBKKWFZ-XQHKEYJVSA-N 1 0 224.348 2.424 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000379917189 365689562 /nfs/dbraw/zinc/68/95/62/365689562.db2.gz DHHXZYJGVCNFCM-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCN(CCC#N)C[C@@H](C)CCC#N ZINC000602672527 349666608 /nfs/dbraw/zinc/66/66/08/349666608.db2.gz PSVREXXJDGJEAI-LBPRGKRZSA-N 1 0 205.305 2.328 20 30 BEEDRO C=CCN(CCC#N)C[C@@H](CCC)OC ZINC000602672948 349666657 /nfs/dbraw/zinc/66/66/57/349666657.db2.gz SSDBULSPZRUFMG-GFCCVEGCSA-N 1 0 210.321 2.203 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)C(C)(C)O ZINC000602674063 349667624 /nfs/dbraw/zinc/66/76/24/349667624.db2.gz CCNPSOGVXCPOIU-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)(CO)CC[NH2+]C1CCC(C#N)CC1 ZINC000602673187 349667686 /nfs/dbraw/zinc/66/76/86/349667686.db2.gz JDYFVSDZJYKRRZ-UHFFFAOYSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)C1CCCC1 ZINC000602673683 349667687 /nfs/dbraw/zinc/66/76/87/349667687.db2.gz BDMNTGPIUMICOL-DGCLKSJQSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@@H]1CN(CC)CC[N@@H+]1C[C@H](C)CCC#N ZINC000602681819 349674595 /nfs/dbraw/zinc/67/45/95/349674595.db2.gz LVCMYQDMQKVSNR-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCC[C@@H]1CCOC1 ZINC000602683534 349675529 /nfs/dbraw/zinc/67/55/29/349675529.db2.gz ZZFVUORRWMWGBE-QWHCGFSZSA-N 1 0 224.348 2.333 20 30 BEEDRO N#CCCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000260238285 349676414 /nfs/dbraw/zinc/67/64/14/349676414.db2.gz WSOQTPYDPRMAFU-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC)cc1 ZINC000037705608 342942601 /nfs/dbraw/zinc/94/26/01/342942601.db2.gz DZQUVBOUNZGUEN-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C[C@@H]1C ZINC000602685459 349677059 /nfs/dbraw/zinc/67/70/59/349677059.db2.gz PPRMDRPVLGSFSO-FRRDWIJNSA-N 1 0 224.348 2.283 20 30 BEEDRO CC(C)N1CC[C@@H]([N@@H+](C)C[C@@H](C)CCC#N)C1 ZINC000602685512 349677096 /nfs/dbraw/zinc/67/70/96/349677096.db2.gz IDXRPIPHLKLFKT-UONOGXRCSA-N 1 0 237.391 2.341 20 30 BEEDRO CC[N@@H+](Cc1ccccc1C#N)C[C@H](C)OC ZINC000291054925 349671569 /nfs/dbraw/zinc/67/15/69/349671569.db2.gz IZCSSASLYNMTGG-LBPRGKRZSA-N 1 0 232.327 2.415 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602679270 349671735 /nfs/dbraw/zinc/67/17/35/349671735.db2.gz QNIWPOUXCOZQIK-MCIGGMRASA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602679112 349672051 /nfs/dbraw/zinc/67/20/51/349672051.db2.gz BKEWLTCPWVBFAX-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000379917190 365689793 /nfs/dbraw/zinc/68/97/93/365689793.db2.gz DHHXZYJGVCNFCM-UPJWGTAASA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC2(CC(F)C2)C1 ZINC000602688673 349679091 /nfs/dbraw/zinc/67/90/91/349679091.db2.gz OWEGJPCEVYVSBP-SNVBAGLBSA-N 1 0 210.296 2.360 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602680433 349672810 /nfs/dbraw/zinc/67/28/10/349672810.db2.gz FNRAWSAYHNZCDC-PQAZSJQKSA-N 1 0 234.343 2.392 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC000602688825 349679384 /nfs/dbraw/zinc/67/93/84/349679384.db2.gz AXKXTUBVUCTRCV-WTIISPKJSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C1CCC(CO)CC1 ZINC000602667160 349684467 /nfs/dbraw/zinc/68/44/67/349684467.db2.gz OKDBFNXMHQZJMT-HSBZDZAISA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602668952 349686158 /nfs/dbraw/zinc/68/61/58/349686158.db2.gz YNPKFHCIRZZZOI-CHWSQXEVSA-N 1 0 225.380 2.245 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000602718568 349686577 /nfs/dbraw/zinc/68/65/77/349686577.db2.gz SILBHBFATGAKEY-NSHDSACASA-N 1 0 236.359 2.067 20 30 BEEDRO CC[C@@](C)(C[NH2+]CC(C)(C)CC#N)OC ZINC000602689334 349680264 /nfs/dbraw/zinc/68/02/64/349680264.db2.gz CFPUDHFEVJDVNK-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)CF ZINC000602661800 349681105 /nfs/dbraw/zinc/68/11/05/349681105.db2.gz INJHFKDZWRVRDA-MNOVXSKESA-N 1 0 228.311 2.033 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000602699134 349695247 /nfs/dbraw/zinc/69/52/47/349695247.db2.gz JLHLGJQUDBRBRZ-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@](C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000602696295 349692281 /nfs/dbraw/zinc/69/22/81/349692281.db2.gz XNSDLYYYYXTWIA-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602698747 349694489 /nfs/dbraw/zinc/69/44/89/349694489.db2.gz VDXXGBSCXLXLHX-ABXWRUBCSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000602690928 349688460 /nfs/dbraw/zinc/68/84/60/349688460.db2.gz SEJZUDOEDVJHGN-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)OC ZINC000602704523 349698436 /nfs/dbraw/zinc/69/84/36/349698436.db2.gz GYRNODXQWHIBKH-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CCC[NH2+]Cc1sccc1OC ZINC000308740813 346906764 /nfs/dbraw/zinc/90/67/64/346906764.db2.gz OPPDLHBHRUAFJN-UHFFFAOYSA-N 1 0 209.314 2.260 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000602706178 349699744 /nfs/dbraw/zinc/69/97/44/349699744.db2.gz BKFDZLKKTVFQQG-CQDKDKBSSA-N 1 0 244.338 2.174 20 30 BEEDRO CC1(C)C[C@H]([NH2+]C2CCC(C#N)CC2)CO1 ZINC000602707966 349701841 /nfs/dbraw/zinc/70/18/41/349701841.db2.gz WRLUOHPBPJPBIU-MCIGGMRASA-N 1 0 222.332 2.226 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000602708608 349701857 /nfs/dbraw/zinc/70/18/57/349701857.db2.gz RAIUBMOUGBAHOF-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000309015404 133453282 /nfs/dbraw/zinc/45/32/82/133453282.db2.gz UGXSKBQGZSWGFX-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO Cc1ccncc1CC[NH2+]C[C@H](C)CCC#N ZINC000602711671 349703903 /nfs/dbraw/zinc/70/39/03/349703903.db2.gz URYNXZPMFYIBBQ-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO CCCN1CC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602712138 349704783 /nfs/dbraw/zinc/70/47/83/349704783.db2.gz AGAPAOAVSGNHER-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CC[C@](C)(C#N)C1)OC ZINC000602717475 349708404 /nfs/dbraw/zinc/70/84/04/349708404.db2.gz GLKCRVHARJVYMD-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1CCC(O)CC1 ZINC000602715276 349706378 /nfs/dbraw/zinc/70/63/78/349706378.db2.gz ZJPUEXKWTLDCSP-PNESKVBLSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000602716187 349706970 /nfs/dbraw/zinc/70/69/70/349706970.db2.gz AIUAXIVPDDJWQR-NWDGAFQWSA-N 1 0 205.305 2.162 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602716188 349707248 /nfs/dbraw/zinc/70/72/48/349707248.db2.gz AIUAXIVPDDJWQR-RYUDHWBXSA-N 1 0 205.305 2.162 20 30 BEEDRO CC[C@H](C)[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)OC ZINC000602716781 349707471 /nfs/dbraw/zinc/70/74/71/349707471.db2.gz DIDWWASJHJDSHG-AVGNSLFASA-N 1 0 224.348 2.283 20 30 BEEDRO N#Cc1ccc(OCC[C@@H]2CC[NH2+]C2)cc1F ZINC000396733367 349721567 /nfs/dbraw/zinc/72/15/67/349721567.db2.gz GFZUHFZWJYGWAO-JTQLQIEISA-N 1 0 234.274 2.076 20 30 BEEDRO N#Cc1ccc(OCC[C@H]2CC[NH2+]C2)cc1F ZINC000396733368 349709336 /nfs/dbraw/zinc/70/93/36/349709336.db2.gz GFZUHFZWJYGWAO-SNVBAGLBSA-N 1 0 234.274 2.076 20 30 BEEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NCCC#N ZINC000306796189 259337624 /nfs/dbraw/zinc/33/76/24/259337624.db2.gz VVEGGXIQTVIAGL-CYBMUJFWSA-N 1 0 231.343 2.010 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000602726198 349715610 /nfs/dbraw/zinc/71/56/10/349715610.db2.gz WCXMFWHQIIAJFJ-WXHSDQCUSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]1C[C@H]([N@H+](C)CC2(CC#N)CC2)CCN1C ZINC000602778545 349744628 /nfs/dbraw/zinc/74/46/28/349744628.db2.gz LZOLYQDAXUHFHG-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1OCC[C@H]1CN(CC#N)C1CCCC1 ZINC000602780811 349747155 /nfs/dbraw/zinc/74/71/55/349747155.db2.gz SEEKAUQBCCJHJD-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCn2nccc21 ZINC000602750530 349730453 /nfs/dbraw/zinc/73/04/53/349730453.db2.gz JQSFLHHGVZRAJB-RYUDHWBXSA-N 1 0 232.331 2.247 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C2CC2)O1 ZINC000602823023 349763299 /nfs/dbraw/zinc/76/32/99/349763299.db2.gz UFYRPJFIYIIHCE-DGCLKSJQSA-N 1 0 234.343 2.180 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]CC1(C#N)CC1 ZINC000308969119 259340702 /nfs/dbraw/zinc/34/07/02/259340702.db2.gz XWLLLANSXRRADT-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602780538 349747543 /nfs/dbraw/zinc/74/75/43/349747543.db2.gz VSYSBMXKOVPKLI-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C(C)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000351872604 136260833 /nfs/dbraw/zinc/26/08/33/136260833.db2.gz DYAWBTHHIYUYCF-UHFFFAOYSA-N 1 0 219.332 2.486 20 30 BEEDRO N#CCC1(C[NH2+][C@H](CO)c2ccc(F)cc2)CC1 ZINC000602808547 349753641 /nfs/dbraw/zinc/75/36/41/349753641.db2.gz XPGDDACNTIUNMF-CYBMUJFWSA-N 1 0 248.301 2.143 20 30 BEEDRO N#CCC1(C[NH2+][C@H](CO)c2ccsc2)CC1 ZINC000602811687 349755561 /nfs/dbraw/zinc/75/55/61/349755561.db2.gz NMDWXQOKMQVHIB-LLVKDONJSA-N 1 0 236.340 2.065 20 30 BEEDRO CC[C@@]1(CO)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602813736 349756545 /nfs/dbraw/zinc/75/65/45/349756545.db2.gz YHSOJFZNSLKKMM-CYBMUJFWSA-N 1 0 236.359 2.165 20 30 BEEDRO Cc1ccccc1NC(=O)[C@H](C)N[C@@H](C)CC#N ZINC000602861582 349772704 /nfs/dbraw/zinc/77/27/04/349772704.db2.gz GDTGXNMWIGJRDC-RYUDHWBXSA-N 1 0 245.326 2.214 20 30 BEEDRO C[C@@H](CC#N)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000602861763 349773527 /nfs/dbraw/zinc/77/35/27/349773527.db2.gz ISEZXIZEXZCDLN-UWVGGRQHSA-N 1 0 249.289 2.044 20 30 BEEDRO COC[C@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602838497 349777501 /nfs/dbraw/zinc/77/75/01/349777501.db2.gz SZGSKXRYIHWJJL-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO N#CCC1(C[N@H+](C2CC2)C2(CO)CCC2)CC1 ZINC000602843389 349781196 /nfs/dbraw/zinc/78/11/96/349781196.db2.gz VDESXTSGRSBEGM-UHFFFAOYSA-N 1 0 234.343 2.060 20 30 BEEDRO N#CCC1(C[NH2+][C@H](CO)c2cccc(F)c2)CC1 ZINC000602806795 349769901 /nfs/dbraw/zinc/76/99/01/349769901.db2.gz QBJZFDCDZLJAQM-CYBMUJFWSA-N 1 0 248.301 2.143 20 30 BEEDRO C[C@H]1OCC[C@@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000602807224 349770637 /nfs/dbraw/zinc/77/06/37/349770637.db2.gz QXRKDGPRRUUVIK-VXGBXAGGSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CC#N)NCc1cc2ccccc2[nH]c1=O ZINC000602859841 349770678 /nfs/dbraw/zinc/77/06/78/349770678.db2.gz AYKQVOPJQKKXDY-SNVBAGLBSA-N 1 0 241.294 2.332 20 30 BEEDRO Cc1ccccc1[C@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602807367 349770973 /nfs/dbraw/zinc/77/09/73/349770973.db2.gz SCVLSUAHPVVJCJ-AWEZNQCLSA-N 1 0 244.338 2.312 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352682266 136264390 /nfs/dbraw/zinc/26/43/90/136264390.db2.gz OXHBCGQGMJKUHF-UWVGGRQHSA-N 1 0 237.265 2.055 20 30 BEEDRO CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000602882331 349791783 /nfs/dbraw/zinc/79/17/83/349791783.db2.gz CSFPLDKNRFUBSO-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000602882328 349791857 /nfs/dbraw/zinc/79/18/57/349791857.db2.gz CSFPLDKNRFUBSO-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)CC2(CCC2)O1 ZINC000602849069 349785020 /nfs/dbraw/zinc/78/50/20/349785020.db2.gz HFTIOINCSUNQDH-GFCCVEGCSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000352540294 136264173 /nfs/dbraw/zinc/26/41/73/136264173.db2.gz JIAJTDVVJFHQRX-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)CCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851914 349786539 /nfs/dbraw/zinc/78/65/39/349786539.db2.gz YFMXVRPBOXWZBX-ZIAGYGMSSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H]1C[N@@H+](CCCC2CCC2)C[C@H](C)N1CC#N ZINC000602851902 349786606 /nfs/dbraw/zinc/78/66/06/349786606.db2.gz YCIZTKPFGCWTCV-OKILXGFUSA-N 1 0 249.402 2.485 20 30 BEEDRO CCC(CC)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851251 349786651 /nfs/dbraw/zinc/78/66/51/349786651.db2.gz VNOOQVFMZPQDHX-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO C=CCCC(=O)Nc1cccnc1N(C)C ZINC000171433059 187227632 /nfs/dbraw/zinc/22/76/32/187227632.db2.gz LKFIEGZJFFZDPC-UHFFFAOYSA-N 1 0 219.288 2.052 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cc(C)ccn2)CC1 ZINC000301660843 136265183 /nfs/dbraw/zinc/26/51/83/136265183.db2.gz ULOAPCNNBXACNS-UHFFFAOYSA-N 1 0 231.343 2.452 20 30 BEEDRO C[NH2+]C[C@H](C)CNc1ccc(Cl)cc1C#N ZINC000168334334 136267884 /nfs/dbraw/zinc/26/78/84/136267884.db2.gz CVIZQYIYEUCWJL-VIFPVBQESA-N 1 0 237.734 2.479 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCOc1cccc(C#N)c1 ZINC000602864290 349795881 /nfs/dbraw/zinc/79/58/81/349795881.db2.gz RTFWBPSJAIJLFV-GFCCVEGCSA-N 1 0 243.310 2.219 20 30 BEEDRO Cc1ccc(CN(C)C[C@H](C)C#N)c(C)n1 ZINC000360063679 136268107 /nfs/dbraw/zinc/26/81/07/136268107.db2.gz MYHYAUCCPBSZDY-SNVBAGLBSA-N 1 0 217.316 2.290 20 30 BEEDRO C=C(C)Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000640803729 362051177 /nfs/dbraw/zinc/05/11/77/362051177.db2.gz OBPHRDDMUJRNGS-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C#CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000264139939 187234473 /nfs/dbraw/zinc/23/44/73/187234473.db2.gz QHZJQRQUQAYSKF-UHFFFAOYSA-N 1 0 240.306 2.035 20 30 BEEDRO C=CCCCn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000640936357 362074251 /nfs/dbraw/zinc/07/42/51/362074251.db2.gz VABRRYDRFUPYMJ-LLVKDONJSA-N 1 0 222.336 2.290 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000266155281 187234751 /nfs/dbraw/zinc/23/47/51/187234751.db2.gz LQXPAPBYOCWQAI-ZDUSSCGKSA-N 1 0 247.363 2.294 20 30 BEEDRO C=CCCCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000640939389 362077245 /nfs/dbraw/zinc/07/72/45/362077245.db2.gz ONNORWHAECJLIQ-LBPRGKRZSA-N 1 0 234.347 2.101 20 30 BEEDRO C=CCCCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000640939388 362077529 /nfs/dbraw/zinc/07/75/29/362077529.db2.gz ONNORWHAECJLIQ-GFCCVEGCSA-N 1 0 234.347 2.101 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000267154059 187235285 /nfs/dbraw/zinc/23/52/85/187235285.db2.gz CZQIKXQWCZKVIH-LBPRGKRZSA-N 1 0 238.356 2.380 20 30 BEEDRO C=CCCCn1cc(CC[NH+]2CCCCC2)nn1 ZINC000640939938 362079584 /nfs/dbraw/zinc/07/95/84/362079584.db2.gz YDMXVZONVXRTHF-UHFFFAOYSA-N 1 0 248.374 2.273 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000305069017 136269689 /nfs/dbraw/zinc/26/96/89/136269689.db2.gz ISXWPUGLBVPXAZ-XQQFMLRXSA-N 1 0 211.349 2.291 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000361585462 136268715 /nfs/dbraw/zinc/26/87/15/136268715.db2.gz IWIJGZMJQABFAD-UHFFFAOYSA-N 1 0 245.370 2.429 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000271773919 187236319 /nfs/dbraw/zinc/23/63/19/187236319.db2.gz ANUMKIKGBWCTEM-UHFFFAOYSA-N 1 0 231.339 2.283 20 30 BEEDRO C#CC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000271468114 187236964 /nfs/dbraw/zinc/23/69/64/187236964.db2.gz IBZFNDVOCADKQF-KBPBESRZSA-N 1 0 215.296 2.130 20 30 BEEDRO C=C1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000271147581 187237139 /nfs/dbraw/zinc/23/71/39/187237139.db2.gz BOJGFFARZNSEGL-UHFFFAOYSA-N 1 0 205.305 2.179 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000232474635 136270893 /nfs/dbraw/zinc/27/08/93/136270893.db2.gz ZYTSGZWOUOVUSK-HOTGVXAUSA-N 1 0 241.334 2.195 20 30 BEEDRO N#CCCOCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000339014441 136271081 /nfs/dbraw/zinc/27/10/81/136271081.db2.gz SSHMBXMJDHGKRL-CHWSQXEVSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@@H]([N@H+](C)CCOCCC#N)C1(C)CC1 ZINC000339017905 136271094 /nfs/dbraw/zinc/27/10/94/136271094.db2.gz SMPAWYRISPVZRF-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1CCCC[C@H]1[NH2+]CCOCCC#N ZINC000339085374 136271142 /nfs/dbraw/zinc/27/11/42/136271142.db2.gz GIPJOERPCZEDHT-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)C1CCCCC1 ZINC000339066535 136271276 /nfs/dbraw/zinc/27/12/76/136271276.db2.gz TTZBIVMIFIUXQZ-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000339005439 136271300 /nfs/dbraw/zinc/27/13/00/136271300.db2.gz QUKIDSIJSPCLKB-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000339005433 136271303 /nfs/dbraw/zinc/27/13/03/136271303.db2.gz QUKIDSIJSPCLKB-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO N#CCCOCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000339014440 136271324 /nfs/dbraw/zinc/27/13/24/136271324.db2.gz SSHMBXMJDHGKRL-BETUJISGSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)=CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276658637 187239454 /nfs/dbraw/zinc/23/94/54/187239454.db2.gz VOOKBSPLCZREAY-UHFFFAOYSA-N 1 0 217.316 2.343 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000278807550 187239622 /nfs/dbraw/zinc/23/96/22/187239622.db2.gz OYAWOQBHDHLYJY-AWEZNQCLSA-N 1 0 231.339 2.035 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1nc(C)ccc1C#N ZINC000041677049 343145037 /nfs/dbraw/zinc/14/50/37/343145037.db2.gz QKNNLISGYDKBCR-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO CCC(CC)[C@@H](CNCCC#N)[NH+]1CCCC1 ZINC000576937253 365724126 /nfs/dbraw/zinc/72/41/26/365724126.db2.gz ZBQPMZFPRQXMLZ-CQSZACIVSA-N 1 0 237.391 2.390 20 30 BEEDRO Cc1nc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cs1 ZINC000336696945 136274356 /nfs/dbraw/zinc/27/43/56/136274356.db2.gz MDLIWGOYUUCCRP-MNOVXSKESA-N 1 0 235.356 2.276 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccccc1N(C)C ZINC000308953685 136274372 /nfs/dbraw/zinc/27/43/72/136274372.db2.gz PWEGWASHOBGGTH-UHFFFAOYSA-N 1 0 204.317 2.418 20 30 BEEDRO C=C(C)CC[NH2+]CC1(O)CCC(C)CC1 ZINC000168998699 343210546 /nfs/dbraw/zinc/21/05/46/343210546.db2.gz QFOOEADSATXZEN-UHFFFAOYSA-N 1 0 211.349 2.483 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)C#N)CC2 ZINC000133254793 343190355 /nfs/dbraw/zinc/19/03/55/343190355.db2.gz YGKHFGJBYHPFRK-SMDDNHRTSA-N 1 0 244.338 2.302 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cnccc1C#N ZINC000135602775 343193906 /nfs/dbraw/zinc/19/39/06/343193906.db2.gz SFXWSHAAZJLORR-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634685602 343225602 /nfs/dbraw/zinc/22/56/02/343225602.db2.gz QYOGTEQUIUIIBX-XQQFMLRXSA-N 1 0 239.359 2.125 20 30 BEEDRO N#CCCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000273040360 136282841 /nfs/dbraw/zinc/28/28/41/136282841.db2.gz IIGJBXJFPPFIBE-UHFFFAOYSA-N 1 0 248.717 2.381 20 30 BEEDRO CCOC(=O)CC(C)(C)CC[NH2+][C@H](C)CC#N ZINC000602871430 349802542 /nfs/dbraw/zinc/80/25/42/349802542.db2.gz RBQVQAYBCZKLDH-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO CC(C)[N@@H+]1CCCN(CCC(C)(C)C#N)CC1 ZINC000336713673 136278314 /nfs/dbraw/zinc/27/83/14/136278314.db2.gz QBJAYTUXNMMYFL-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000339014119 136280198 /nfs/dbraw/zinc/28/01/98/136280198.db2.gz KJSPZBIJUOLRRU-OAHLLOKOSA-N 1 0 244.338 2.234 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000343584076 343257491 /nfs/dbraw/zinc/25/74/91/343257491.db2.gz AYKSYYSEZWZIAC-IUODEOHRSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@H](c1cccc(O)c1)[N@H+](C)CCOCCC#N ZINC000292668485 136289205 /nfs/dbraw/zinc/28/92/05/136289205.db2.gz AXHOSOQLKOHNDF-GFCCVEGCSA-N 1 0 248.326 2.315 20 30 BEEDRO N#Cc1cccc(CC[NH2+]CC[C@H]2CCOC2)c1 ZINC000343658681 343262487 /nfs/dbraw/zinc/26/24/87/343262487.db2.gz NFKIYZPIOYTRCF-AWEZNQCLSA-N 1 0 244.338 2.117 20 30 BEEDRO C=C(Br)CN(C)[C@@H]1CCSC1 ZINC000119992030 136292425 /nfs/dbraw/zinc/29/24/25/136292425.db2.gz SJLIEEDHIFYXPO-MRVPVSSYSA-N 1 0 236.178 2.332 20 30 BEEDRO C[C@H](CCNC1=[NH+]CCN1C)c1ccccc1 ZINC000285005854 136287242 /nfs/dbraw/zinc/28/72/42/136287242.db2.gz IIGHMBDUZVZTMX-GFCCVEGCSA-N 1 0 231.343 2.071 20 30 BEEDRO C[C@@H](CCNC1=[NH+]CCN1C)c1ccccc1 ZINC000285005856 136287415 /nfs/dbraw/zinc/28/74/15/136287415.db2.gz IIGHMBDUZVZTMX-LBPRGKRZSA-N 1 0 231.343 2.071 20 30 BEEDRO C[C@H](C[C@H]1CCCO1)[NH2+]Cc1ccc(C#N)o1 ZINC000343979590 343318363 /nfs/dbraw/zinc/31/83/63/343318363.db2.gz WZKVXZIMYXUCTL-GHMZBOCLSA-N 1 0 234.299 2.198 20 30 BEEDRO CN1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000602873514 349804192 /nfs/dbraw/zinc/80/41/92/349804192.db2.gz JZWTZRMBKMPKJG-MCIONIFRSA-N 1 0 249.402 2.341 20 30 BEEDRO CCC[N@@H+]1CCC[C@@H]1CNc1cccc(C#N)n1 ZINC000343992553 343319831 /nfs/dbraw/zinc/31/98/31/343319831.db2.gz YMGNUXOKJDDSAV-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[N@H+]1[C@H](C)CN([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872935 349804358 /nfs/dbraw/zinc/80/43/58/349804358.db2.gz DRHVNKXUIJJJMU-CRWXNKLISA-N 1 0 235.375 2.093 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH+]1CCSCC1 ZINC000165435640 343332257 /nfs/dbraw/zinc/33/22/57/343332257.db2.gz GDIHSYILHVRVNN-UHFFFAOYSA-N 1 0 232.352 2.416 20 30 BEEDRO C=CCOCCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000347961153 136293479 /nfs/dbraw/zinc/29/34/79/136293479.db2.gz HCVZGZBRSPUVSE-CYBMUJFWSA-N 1 0 234.343 2.457 20 30 BEEDRO C=CCOc1cccc(C[N@H+](CC)C[C@@H](C)O)c1 ZINC000348715723 136294726 /nfs/dbraw/zinc/29/47/26/136294726.db2.gz QIJBQXHCIKJYDB-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000306387460 133470848 /nfs/dbraw/zinc/47/08/48/133470848.db2.gz UEPMEFUFSIXRBZ-ZNSHCXBVSA-N 1 0 210.346 2.020 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccccc1OC ZINC000070190931 343309410 /nfs/dbraw/zinc/30/94/10/343309410.db2.gz WFYOZZFSHDDBTH-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CCO[C@H](C)C1 ZINC000165429795 343309821 /nfs/dbraw/zinc/30/98/21/343309821.db2.gz UKHKLHXOSZESHW-GFCCVEGCSA-N 1 0 230.311 2.087 20 30 BEEDRO N#CCCCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133301 343314136 /nfs/dbraw/zinc/31/41/36/343314136.db2.gz IAQJCBBKJCLYNL-UHFFFAOYSA-N 1 0 244.338 2.487 20 30 BEEDRO Cc1cnccc1NC(=O)CCCCCC#N ZINC000588351898 343359855 /nfs/dbraw/zinc/35/98/55/343359855.db2.gz LIFJLJFVKBYENT-UHFFFAOYSA-N 1 0 231.299 2.225 20 30 BEEDRO CC[N@H+]1[C@H](C)CN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC000602872936 349804915 /nfs/dbraw/zinc/80/49/15/349804915.db2.gz DRHVNKXUIJJJMU-RFQIPJPRSA-N 1 0 235.375 2.093 20 30 BEEDRO C[C@@H](CCC#N)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000602874934 349805535 /nfs/dbraw/zinc/80/55/35/349805535.db2.gz VYSGFQAZVCDCAH-QWHCGFSZSA-N 1 0 237.391 2.341 20 30 BEEDRO CC[C@H]1CN(Cc2ccc(C#N)cc2C)CCO1 ZINC000165442278 343349415 /nfs/dbraw/zinc/34/94/15/343349415.db2.gz ZALKVJSEDUTPEA-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CCOC[C@@H]1C ZINC000165441578 343349608 /nfs/dbraw/zinc/34/96/08/343349608.db2.gz NMAVDQHNSRBOPJ-LBPRGKRZSA-N 1 0 230.311 2.087 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000348915767 136307864 /nfs/dbraw/zinc/30/78/64/136307864.db2.gz CRZMNSQBXNTJRS-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)CCn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641069287 362181051 /nfs/dbraw/zinc/18/10/51/362181051.db2.gz FFSVTCIXJNXQHO-UHFFFAOYSA-N 1 0 242.326 2.370 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1F)[C@@H]1CCC[C@H]1O ZINC000335840910 344032224 /nfs/dbraw/zinc/03/22/24/344032224.db2.gz VLJULNDEQFRGHK-CHWSQXEVSA-N 1 0 248.301 2.043 20 30 BEEDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(C#N)o1 ZINC000344584919 343422236 /nfs/dbraw/zinc/42/22/36/343422236.db2.gz WMHZWMVULUDNIC-QWRGUYRKSA-N 1 0 236.315 2.038 20 30 BEEDRO C#CCC[N@@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000299209788 343398547 /nfs/dbraw/zinc/39/85/47/343398547.db2.gz BMYTWAHVURCZNB-CYBMUJFWSA-N 1 0 245.322 2.172 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H](CC)CO)c1 ZINC000006541119 136332436 /nfs/dbraw/zinc/33/24/36/136332436.db2.gz XECGOTFGQASLJX-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602916035 349808839 /nfs/dbraw/zinc/80/88/39/349808839.db2.gz PNMKAHPLRGNTDB-NNYUYHANSA-N 1 0 222.332 2.082 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC[C@H]2CCC[NH2+]2)n1 ZINC000166829839 136364085 /nfs/dbraw/zinc/36/40/85/136364085.db2.gz UCRBQPHKPTWLPK-GFCCVEGCSA-N 1 0 244.342 2.124 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nccn1CC ZINC000296465817 136375968 /nfs/dbraw/zinc/37/59/68/136375968.db2.gz NMRJXTJGDFZYLM-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccn1CC)C(C)C ZINC000296761028 136376049 /nfs/dbraw/zinc/37/60/49/136376049.db2.gz KYEQRHCBACNHLN-ZDUSSCGKSA-N 1 0 204.317 2.255 20 30 BEEDRO C=CCN1CC[N@@H+](C)CC12CCCCC2 ZINC000335856365 344033691 /nfs/dbraw/zinc/03/36/91/344033691.db2.gz YKNUPSYQEJZKLS-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCC1(OC)CCC1 ZINC000310553977 343535488 /nfs/dbraw/zinc/53/54/88/343535488.db2.gz HIHXLOSDAAGXAT-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CCC1(C[NH2+]C[C@@H](O)CC)CCCC1 ZINC000570155860 323051230 /nfs/dbraw/zinc/05/12/30/323051230.db2.gz VBLPVUUWKOWSLQ-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)C ZINC000491305356 259364366 /nfs/dbraw/zinc/36/43/66/259364366.db2.gz IQEAEFAAQVSILS-LBPRGKRZSA-N 1 0 227.311 2.310 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]1c1ncccn1 ZINC000602901011 349816360 /nfs/dbraw/zinc/81/63/60/349816360.db2.gz VEPFDCGAEGTVSF-GFCCVEGCSA-N 1 0 230.315 2.307 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1ncccn1 ZINC000602901013 349816386 /nfs/dbraw/zinc/81/63/86/349816386.db2.gz VEPFDCGAEGTVSF-LBPRGKRZSA-N 1 0 230.315 2.307 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000379966367 365769046 /nfs/dbraw/zinc/76/90/46/365769046.db2.gz ZBLVIMKSLQRQOD-WISYIIOYSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1COC1 ZINC000624236258 343580591 /nfs/dbraw/zinc/58/05/91/343580591.db2.gz ZUPIEUYHHINCRB-OLZOCXBDSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)CC(F)(F)F ZINC000188670535 349819035 /nfs/dbraw/zinc/81/90/35/349819035.db2.gz BCNZGYSTXJAQDE-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C[N@H+](C[C@H](O)C(C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000602981837 349832316 /nfs/dbraw/zinc/83/23/16/349832316.db2.gz KEPUWFUFINGEFM-UTUOFQBUSA-N 1 0 224.348 2.017 20 30 BEEDRO C[C@@H]1CN(c2cccc(Cl)c2C#N)CC[NH2+]1 ZINC000083814889 343674147 /nfs/dbraw/zinc/67/41/47/343674147.db2.gz KWUSUVDGCIYYKP-SECBINFHSA-N 1 0 235.718 2.010 20 30 BEEDRO N#Cc1ccnc(NCCC[NH+]2CCCCC2)c1 ZINC000286043634 187345107 /nfs/dbraw/zinc/34/51/07/187345107.db2.gz HHCJOZYADRODEV-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO CC[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000087595166 343654727 /nfs/dbraw/zinc/65/47/27/343654727.db2.gz IAAGZZSSQUZMAH-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000087595270 343654804 /nfs/dbraw/zinc/65/48/04/343654804.db2.gz QHPWDJVMLCHINS-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CC[NH+](C)C)NCc1cccc(F)c1C#N ZINC000602009163 343663658 /nfs/dbraw/zinc/66/36/58/343663658.db2.gz WPYFRYXIUJBUGR-NSHDSACASA-N 1 0 249.333 2.127 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)CCO1 ZINC000602015621 343664277 /nfs/dbraw/zinc/66/42/77/343664277.db2.gz OGLFAPNINCYVLM-CMPLNLGQSA-N 1 0 248.301 2.354 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(C3CC3)CC2)o1 ZINC000380006623 343666401 /nfs/dbraw/zinc/66/64/01/343666401.db2.gz PKQRRTKNMNUISB-UHFFFAOYSA-N 1 0 202.257 2.183 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981505 349831677 /nfs/dbraw/zinc/83/16/77/349831677.db2.gz FGAYYYJDHVWDDH-LOWDOPEQSA-N 1 0 222.332 2.035 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@@H]1CCC[C@@H]1C#N ZINC000602977365 349842253 /nfs/dbraw/zinc/84/22/53/349842253.db2.gz AHOVNYKCXIIIPQ-VXGBXAGGSA-N 1 0 237.372 2.257 20 30 BEEDRO CCSCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602978838 349843169 /nfs/dbraw/zinc/84/31/69/349843169.db2.gz XIOLPJZIELNXML-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602978529 349843322 /nfs/dbraw/zinc/84/33/22/349843322.db2.gz SDCCGGSAULEXHK-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[C@@]1(O)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000602983949 349836022 /nfs/dbraw/zinc/83/60/22/349836022.db2.gz XZNXVHGMNZKHPQ-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCNC(=O)C[NH2+]CCCC1CCCCC1 ZINC000339334295 343696998 /nfs/dbraw/zinc/69/69/98/343696998.db2.gz FOMWBZIIVNGTIN-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCCOC)cc1 ZINC000491667579 259369390 /nfs/dbraw/zinc/36/93/90/259369390.db2.gz RPOPWOZUGSHIAZ-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000339402149 343699431 /nfs/dbraw/zinc/69/94/31/343699431.db2.gz RDOFDOOSKIQILG-GFCCVEGCSA-N 1 0 225.719 2.285 20 30 BEEDRO C[N@H+](CCCCC#N)[C@H]1CCC[C@H]1C#N ZINC000602975850 349839933 /nfs/dbraw/zinc/83/99/33/349839933.db2.gz IBDXTNUCPDMURP-RYUDHWBXSA-N 1 0 205.305 2.304 20 30 BEEDRO COC(C)(C)CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979213 349844133 /nfs/dbraw/zinc/84/41/33/349844133.db2.gz BEIGCLKGBOJDTD-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000340429129 343714180 /nfs/dbraw/zinc/71/41/80/343714180.db2.gz GMTHCNVQUWHUEN-LBPRGKRZSA-N 1 0 221.348 2.464 20 30 BEEDRO C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000602980134 349845097 /nfs/dbraw/zinc/84/50/97/349845097.db2.gz MKBRSQHWUFRPDT-AAVRWANBSA-N 1 0 236.359 2.426 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000602993028 349848121 /nfs/dbraw/zinc/84/81/21/349848121.db2.gz NQKDZEMLWTZMEU-LLVKDONJSA-N 1 0 242.338 2.111 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)CCCC[NH3+] ZINC000584170438 343768312 /nfs/dbraw/zinc/76/83/12/343768312.db2.gz QEZNFDFPZHJYJQ-UHFFFAOYSA-N 1 0 246.354 2.330 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584180687 343770520 /nfs/dbraw/zinc/77/05/20/343770520.db2.gz ZZUBUUJYBKNGPR-GHMZBOCLSA-N 1 0 215.300 2.041 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C1 ZINC000625700199 344039901 /nfs/dbraw/zinc/03/99/01/344039901.db2.gz JRLAZFHTIBWNGA-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000625699895 344039182 /nfs/dbraw/zinc/03/91/82/344039182.db2.gz DQPITSVADRTKOJ-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000625700691 344040680 /nfs/dbraw/zinc/04/06/80/344040680.db2.gz FIWMEGSGMNQFEN-YPMHNXCESA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NCCCCC)C1 ZINC000625701131 344041153 /nfs/dbraw/zinc/04/11/53/344041153.db2.gz NKDJKXCLOQTKQO-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO CC1(C)C[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000334315937 343868618 /nfs/dbraw/zinc/86/86/18/343868618.db2.gz OAOCPNZGSXSEAW-LBPRGKRZSA-N 1 0 240.310 2.094 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCC[C@H]1CCOC1 ZINC000402145614 349887277 /nfs/dbraw/zinc/88/72/77/349887277.db2.gz LPLNDVPKABJOEU-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO CN(Cc1ccc(F)cc1C#N)C1CC1 ZINC000334615256 343896577 /nfs/dbraw/zinc/89/65/77/343896577.db2.gz HBGIEQRCZDILGG-UHFFFAOYSA-N 1 0 204.248 2.292 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C#N)cc1 ZINC000038088810 343941386 /nfs/dbraw/zinc/94/13/86/343941386.db2.gz UCOLEXRUQJMKMC-NWDGAFQWSA-N 1 0 231.343 2.159 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1(C)C ZINC000447584455 201726128 /nfs/dbraw/zinc/72/61/28/201726128.db2.gz FWTNNLCVSIXEFH-FVCCEPFGSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000335132687 343928408 /nfs/dbraw/zinc/92/84/08/343928408.db2.gz TWOBLXLQWAYKRR-STQMWFEESA-N 1 0 243.354 2.083 20 30 BEEDRO C=CC[N@@H+](CCOC1CCOCC1)C(C)(C)C ZINC000625539501 343930041 /nfs/dbraw/zinc/93/00/41/343930041.db2.gz ZDFYNNAZMNJLBC-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCC1([NH2+]Cc2cncc(OC)n2)CCCC1 ZINC000625541036 343930655 /nfs/dbraw/zinc/93/06/55/343930655.db2.gz PFKNVYCOMSSMQC-UHFFFAOYSA-N 1 0 247.342 2.464 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000625701349 344042173 /nfs/dbraw/zinc/04/21/73/344042173.db2.gz JHTKNEDDHDDXNW-NSHDSACASA-N 1 0 239.750 2.435 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631141614 343954225 /nfs/dbraw/zinc/95/42/25/343954225.db2.gz CNVOHGTXLQQMEL-UHFFFAOYSA-N 1 0 220.316 2.479 20 30 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206.289 2.381 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c(F)c1 ZINC000342197206 187356818 /nfs/dbraw/zinc/35/68/18/187356818.db2.gz BVWWPOPXFSBWCM-GXSJLCMTSA-N 1 0 240.228 2.441 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000625769664 344065699 /nfs/dbraw/zinc/06/56/99/344065699.db2.gz VYNTZHHTPAMUDW-NSHDSACASA-N 1 0 233.302 2.435 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)CC1(C)COC1 ZINC000625791665 344075472 /nfs/dbraw/zinc/07/54/72/344075472.db2.gz NYEAEOCISZNJFG-UHFFFAOYSA-N 1 0 247.313 2.146 20 30 BEEDRO CCC[C@@H]([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603258496 349901473 /nfs/dbraw/zinc/90/14/73/349901473.db2.gz BVNWISRNVXWHPY-LLVKDONJSA-N 1 0 249.362 2.408 20 30 BEEDRO C=C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000335915503 344085713 /nfs/dbraw/zinc/08/57/13/344085713.db2.gz ODZMLEHUDJLONH-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC4(CC#N)CC4)[C@H]1[C@H]3C2 ZINC000394347268 344117380 /nfs/dbraw/zinc/11/73/80/344117380.db2.gz 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2.311 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600732054 344364692 /nfs/dbraw/zinc/36/46/92/344364692.db2.gz PRDZXEVDJGWNEZ-OLZOCXBDSA-N 1 0 236.359 2.376 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600735818 344365013 /nfs/dbraw/zinc/36/50/13/344365013.db2.gz LNJRWQMPPIBMTR-JHJVBQTASA-N 1 0 236.359 2.065 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600608859 344335304 /nfs/dbraw/zinc/33/53/04/344335304.db2.gz ZCUBZZYKBVYJAT-FDYHWXHSSA-N 1 0 217.316 2.208 20 30 BEEDRO CC(F)(F)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600737789 344366095 /nfs/dbraw/zinc/36/60/95/344366095.db2.gz FMEVYDLRFNRECE-JTQLQIEISA-N 1 0 246.301 2.066 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CN1 ZINC000600710618 344361065 /nfs/dbraw/zinc/36/10/65/344361065.db2.gz POHMDJVCYVCGCQ-RJZJGCCBSA-N 1 0 235.375 2.189 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600717496 344362642 /nfs/dbraw/zinc/36/26/42/344362642.db2.gz LXLUWNYNSFLCBZ-FRRDWIJNSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600717497 344362729 /nfs/dbraw/zinc/36/27/29/344362729.db2.gz LXLUWNYNSFLCBZ-JHJVBQTASA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600719403 344362757 /nfs/dbraw/zinc/36/27/57/344362757.db2.gz SLEGQTQPXNRONY-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@@H](CC)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723598 344363088 /nfs/dbraw/zinc/36/30/88/344363088.db2.gz XQWRJUQIWCQAQQ-VXGBXAGGSA-N 1 0 224.348 2.209 20 30 BEEDRO CO[C@@H](C[N@H+](CCC#N)C(C)C)C1CC1 ZINC000400185625 344420798 /nfs/dbraw/zinc/42/07/98/344420798.db2.gz RFQOLGRKQLXHDX-LBPRGKRZSA-N 1 0 210.321 2.035 20 30 BEEDRO C[NH+](C)CCn1cc(-c2ccc(C#N)s2)cn1 ZINC000600773524 344370434 /nfs/dbraw/zinc/37/04/34/344370434.db2.gz AZOOXANIOYHNQR-UHFFFAOYSA-N 1 0 246.339 2.045 20 30 BEEDRO Cc1ccc(C(C)(C)C[NH2+]CCC#N)nc1 ZINC000600753352 344370506 /nfs/dbraw/zinc/37/05/06/344370506.db2.gz JWJFHMDXFSZKNO-UHFFFAOYSA-N 1 0 217.316 2.171 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000336763280 537844827 /nfs/dbraw/zinc/84/48/27/537844827.db2.gz OWXVIOPAAHGHFY-XQQFMLRXSA-N 1 0 211.349 2.195 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CC=CC2)c1 ZINC000135507756 344506409 /nfs/dbraw/zinc/50/64/09/344506409.db2.gz XCINMMJRKAXWER-UHFFFAOYSA-N 1 0 204.298 2.428 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CCOC1 ZINC000135493391 344473902 /nfs/dbraw/zinc/47/39/02/344473902.db2.gz XGVFPCHCVAKLBX-GXSJLCMTSA-N 1 0 236.340 2.134 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCO1 ZINC000310004678 344494065 /nfs/dbraw/zinc/49/40/65/344494065.db2.gz GDNGEYSKHMNQJM-RNJOBUHISA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000135511293 344502217 /nfs/dbraw/zinc/50/22/17/344502217.db2.gz RJDWCSKAKARDIX-BXKDBHETSA-N 1 0 218.275 2.443 20 30 BEEDRO C=CCC1([NH2+]CCc2cn(C)nn2)CCCCC1 ZINC000625933422 344570584 /nfs/dbraw/zinc/57/05/84/344570584.db2.gz CABQMBOWHDCQRS-UHFFFAOYSA-N 1 0 248.374 2.226 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccco2)CC1 ZINC000258862621 344509913 /nfs/dbraw/zinc/50/99/13/344509913.db2.gz YRASKRSQPZTEKW-UHFFFAOYSA-N 1 0 204.273 2.452 20 30 BEEDRO C=CCC1([NH2+]C[C@H](O)COCC)CCCCC1 ZINC000625936326 344572590 /nfs/dbraw/zinc/57/25/90/344572590.db2.gz IELKDRXIOPCZGT-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO COc1cccc(C[NH2+]CCCC#N)c1F ZINC000381547527 344520347 /nfs/dbraw/zinc/52/03/47/344520347.db2.gz LBVJCUGAQLCIBH-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO C=CCC1([NH2+]Cc2nnc(C)n2C)CCCCC1 ZINC000625936919 344573236 /nfs/dbraw/zinc/57/32/36/344573236.db2.gz BTPJEQJDVXCVJH-UHFFFAOYSA-N 1 0 248.374 2.492 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)c(OC)c1 ZINC000109554219 344530178 /nfs/dbraw/zinc/53/01/78/344530178.db2.gz BLKPUHXCMFXHCE-UHFFFAOYSA-N 1 0 234.299 2.097 20 30 BEEDRO C[C@@H]1CO[C@@H](C)CN1Cc1cc(C#N)cs1 ZINC000092018275 344533777 /nfs/dbraw/zinc/53/37/77/344533777.db2.gz VWXIEIVAYXRCHW-ZJUUUORDSA-N 1 0 236.340 2.229 20 30 BEEDRO C[C@@H](c1cccc(O)c1)N(C)CCC#N ZINC000109781154 344534607 /nfs/dbraw/zinc/53/46/07/344534607.db2.gz NMOUVZJZEPAERS-JTQLQIEISA-N 1 0 204.273 2.299 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000259175397 344548058 /nfs/dbraw/zinc/54/80/58/344548058.db2.gz HBYAXISEKSNVMG-NSHDSACASA-N 1 0 204.273 2.405 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000119821263 344598143 /nfs/dbraw/zinc/59/81/43/344598143.db2.gz BEAYHIZUHFVTPF-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](CC)CO)cc1 ZINC000151820198 187291825 /nfs/dbraw/zinc/29/18/25/187291825.db2.gz SQEGSLITGLAIMC-GXTWGEPZSA-N 1 0 247.338 2.120 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCCC1(F)F ZINC000491787515 259378746 /nfs/dbraw/zinc/37/87/46/259378746.db2.gz QSBKWDKPFPHCGS-UWVGGRQHSA-N 1 0 201.260 2.375 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1ccc(CC#N)cc1 ZINC000358558222 344637974 /nfs/dbraw/zinc/63/79/74/344637974.db2.gz VRLKSCCFVBKGPS-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000152948042 344725848 /nfs/dbraw/zinc/72/58/48/344725848.db2.gz NJCYWUNKLQVLHK-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1CCN(Cc2ccccc2C#N)[C@H](C[NH3+])C1 ZINC000300084141 344729886 /nfs/dbraw/zinc/72/98/86/344729886.db2.gz CVYDHOGCMFBIHT-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C(=O)NCC)C(C)C ZINC000354062431 133528942 /nfs/dbraw/zinc/52/89/42/133528942.db2.gz AAVSZONHUSSOMS-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C[N@H+](CCCC#N)[C@H](CCO)c1ccccc1 ZINC000075897636 344787672 /nfs/dbraw/zinc/78/76/72/344787672.db2.gz HDDMAIRTTPELKP-CQSZACIVSA-N 1 0 232.327 2.346 20 30 BEEDRO C[N@H+](CCCC#N)CCCC(=O)OC(C)(C)C ZINC000076415164 344802704 /nfs/dbraw/zinc/80/27/04/344802704.db2.gz DQXRYIZAUSXHFU-UHFFFAOYSA-N 1 0 240.347 2.344 20 30 BEEDRO CC[N@@H+]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000076969571 344811701 /nfs/dbraw/zinc/81/17/01/344811701.db2.gz FKZNFJMBFMFXGS-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO CC[NH+]1CCC(NCc2ccc(C#N)s2)CC1 ZINC000135671348 344841790 /nfs/dbraw/zinc/84/17/90/344841790.db2.gz BAPPKHSLEUOESF-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000077425619 344824079 /nfs/dbraw/zinc/82/40/79/344824079.db2.gz HTQMMWRFXMHYHL-RYUDHWBXSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2ncccc2C#N)C1 ZINC000077656693 344825111 /nfs/dbraw/zinc/82/51/11/344825111.db2.gz VBWGXEDEHSIOLL-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[N@H+](CCCSCC#N)CCc1ccccn1 ZINC000119776791 344863817 /nfs/dbraw/zinc/86/38/17/344863817.db2.gz YWQYBCHFRWTLKU-UHFFFAOYSA-N 1 0 249.383 2.203 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)CCC(C)(C)C#N ZINC000119846613 344867911 /nfs/dbraw/zinc/86/79/11/344867911.db2.gz XURQQORZESLXFN-UHFFFAOYSA-N 1 0 248.374 2.453 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)COC(C)C ZINC000336646352 133532821 /nfs/dbraw/zinc/53/28/21/133532821.db2.gz CPQDIHOZGJZLKV-NSHDSACASA-N 1 0 217.378 2.309 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631149377 344956633 /nfs/dbraw/zinc/95/66/33/344956633.db2.gz LBEJCLUUAJDAHU-UHFFFAOYSA-N 1 0 233.359 2.355 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000157116204 187297369 /nfs/dbraw/zinc/29/73/69/187297369.db2.gz RXHWYELOGSUKAJ-AWEZNQCLSA-N 1 0 246.354 2.154 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H]1CC=CCC1 ZINC000336740391 323082441 /nfs/dbraw/zinc/08/24/41/323082441.db2.gz UKBGIFFQUMOIJG-CHWSQXEVSA-N 1 0 209.333 2.117 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCc2cncnc2C1 ZINC000332708537 534983437 /nfs/dbraw/zinc/98/34/37/534983437.db2.gz OEQCKWYCYYQUBR-UHFFFAOYSA-N 1 0 244.342 2.165 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(C#N)cn1 ZINC000044317502 345020036 /nfs/dbraw/zinc/02/00/36/345020036.db2.gz OPNKKSQQZLIXOH-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCOC1(C)C ZINC000328197177 534984627 /nfs/dbraw/zinc/98/46/27/534984627.db2.gz CYVXIJILWAQSOT-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1cccnc1C[NH+]1CCC(C#N)CC1 ZINC000124111759 345028739 /nfs/dbraw/zinc/02/87/39/345028739.db2.gz YRLJYMLYCFSALO-UHFFFAOYSA-N 1 0 215.300 2.126 20 30 BEEDRO C#CC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC000155333113 345076466 /nfs/dbraw/zinc/07/64/66/345076466.db2.gz ZALJROLLVIHOHN-CYBMUJFWSA-N 1 0 215.296 2.118 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000155960124 345116654 /nfs/dbraw/zinc/11/66/54/345116654.db2.gz DGMFYFPMNVTASI-QGZVFWFLSA-N 1 0 249.379 2.269 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000155960241 345116783 /nfs/dbraw/zinc/11/67/83/345116783.db2.gz DGMFYFPMNVTASI-KRWDZBQOSA-N 1 0 249.379 2.269 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353024442 534988052 /nfs/dbraw/zinc/98/80/52/534988052.db2.gz HGCVWAIHWWLZAO-SNVBAGLBSA-N 1 0 246.301 2.487 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156544788 345174870 /nfs/dbraw/zinc/17/48/70/345174870.db2.gz HTEFFNKOIAUQMD-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000563069831 323084553 /nfs/dbraw/zinc/08/45/53/323084553.db2.gz ZLDFCRLOPGSHGI-RYUDHWBXSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CCN(CC=C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000635065660 345238063 /nfs/dbraw/zinc/23/80/63/345238063.db2.gz MJGUIXKNCVPYAP-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)c1nccn1C ZINC000132142692 345319554 /nfs/dbraw/zinc/31/95/54/345319554.db2.gz LBOAFRPAXPMOGB-LLVKDONJSA-N 1 0 220.320 2.155 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000300214038 345338670 /nfs/dbraw/zinc/33/86/70/345338670.db2.gz IXZYTLYRQIPZFN-WOPDTQHZSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000132522200 345334071 /nfs/dbraw/zinc/33/40/71/345334071.db2.gz GKWUBHLWXIBVHD-VXGBXAGGSA-N 1 0 248.326 2.010 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000070148699 345421716 /nfs/dbraw/zinc/42/17/16/345421716.db2.gz SUJNDUOTGLHTPP-OAHLLOKOSA-N 1 0 243.354 2.262 20 30 BEEDRO CN(CC[NH+](C)C)c1c(Cl)cccc1C#N ZINC000080685349 345429786 /nfs/dbraw/zinc/42/97/86/345429786.db2.gz OOGZLYPPDARXNB-UHFFFAOYSA-N 1 0 237.734 2.209 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000159752365 345511081 /nfs/dbraw/zinc/51/10/81/345511081.db2.gz IGCDBKUTVJYTDZ-ZDUSSCGKSA-N 1 0 200.285 2.160 20 30 BEEDRO CC#CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000084133755 345511312 /nfs/dbraw/zinc/51/13/12/345511312.db2.gz ISUJRPHGNLZUIV-INIZCTEOSA-N 1 0 243.350 2.343 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CCC(C)(O)CC1 ZINC000179727896 534996401 /nfs/dbraw/zinc/99/64/01/534996401.db2.gz ZFQIJPPCSXOAPG-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCCC#N)C[C@@H]1n1ccnc1 ZINC000136088360 345475022 /nfs/dbraw/zinc/47/50/22/345475022.db2.gz YLYOMJWMZUGPNS-KGLIPLIRSA-N 1 0 246.358 2.460 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000090883576 345577347 /nfs/dbraw/zinc/57/73/47/345577347.db2.gz ZEUSTMGJIOAOBH-NSHDSACASA-N 1 0 249.358 2.337 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)CCCC(=O)NC ZINC000089264093 345552311 /nfs/dbraw/zinc/55/23/11/345552311.db2.gz LLJKUFQICLRTCK-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](CC)CC(=O)NCC ZINC000091507100 345595614 /nfs/dbraw/zinc/59/56/14/345595614.db2.gz SINSHKLTMNFNFK-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092471360 345623386 /nfs/dbraw/zinc/62/33/86/345623386.db2.gz KVJYJAPYPPZJLD-LLVKDONJSA-N 1 0 240.310 2.048 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1cnccc1C#N ZINC000094135230 345680321 /nfs/dbraw/zinc/68/03/21/345680321.db2.gz FSZSFSZXVQJKNJ-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1cnccc1C#N ZINC000094136463 345680563 /nfs/dbraw/zinc/68/05/63/345680563.db2.gz QBWTVQKTOQWHLE-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCNc1cnccc1C#N ZINC000094136465 345680578 /nfs/dbraw/zinc/68/05/78/345680578.db2.gz QBWTVQKTOQWHLE-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO CC#CCC[NH2+]C1CCC(COC)CC1 ZINC000449223268 201841597 /nfs/dbraw/zinc/84/15/97/201841597.db2.gz FSOFRFUNKJAOQY-UHFFFAOYSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000449247864 201844600 /nfs/dbraw/zinc/84/46/00/201844600.db2.gz HGCAGWRUGYFTBS-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000449245412 201846129 /nfs/dbraw/zinc/84/61/29/201846129.db2.gz ASFUJONMNNCCPK-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2cnc(C)o2)CC1 ZINC000628212211 345854096 /nfs/dbraw/zinc/85/40/96/345854096.db2.gz VQXOQPMBDCNAJX-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000588967091 345836269 /nfs/dbraw/zinc/83/62/69/345836269.db2.gz MZTAFAMOROAXPM-YPMHNXCESA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)[NH+](C)C ZINC000635596419 345882642 /nfs/dbraw/zinc/88/26/42/345882642.db2.gz SLXJCFUGAVJKME-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000144315358 345919452 /nfs/dbraw/zinc/91/94/52/345919452.db2.gz NEYBNWZZOWRODQ-CYBMUJFWSA-N 1 0 205.301 2.228 20 30 BEEDRO N#CCC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000400934344 345923329 /nfs/dbraw/zinc/92/33/29/345923329.db2.gz PVWOGJJHIWFJRI-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(Br)C[NH2+]C[C@H]1C[C@@H]1C ZINC000166925506 345953608 /nfs/dbraw/zinc/95/36/08/345953608.db2.gz HMUPKWLYMYUMHN-POYBYMJQSA-N 1 0 204.111 2.141 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOCC12CCC2 ZINC000585727628 345982408 /nfs/dbraw/zinc/98/24/08/345982408.db2.gz HLZQZNZVCDUNMC-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(=O)Nc1cccc(C[NH2+]CCCCC#N)c1 ZINC000601105515 346061203 /nfs/dbraw/zinc/06/12/03/346061203.db2.gz IVGFRRNEIJKZCI-UHFFFAOYSA-N 1 0 245.326 2.428 20 30 BEEDRO CCOC1CC(C[N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000586769115 346075275 /nfs/dbraw/zinc/07/52/75/346075275.db2.gz IIGLIOVETYQQGQ-JXQTWKCFSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@@](C)(C#N)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000586806984 346130441 /nfs/dbraw/zinc/13/04/41/346130441.db2.gz ZOPVHXLJYXILCG-ZDUSSCGKSA-N 1 0 246.314 2.026 20 30 BEEDRO CC(C)n1ncnc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000601125972 346151564 /nfs/dbraw/zinc/15/15/64/346151564.db2.gz TVSYFJLVFCCIDP-RYUDHWBXSA-N 1 0 247.346 2.031 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628231516 346184142 /nfs/dbraw/zinc/18/41/42/346184142.db2.gz RCEYZKCCCORHRE-ZJUUUORDSA-N 1 0 233.302 2.194 20 30 BEEDRO CCCC[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167447644 346247951 /nfs/dbraw/zinc/24/79/51/346247951.db2.gz YHXKOLYXSZXRKY-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC000628258380 346258731 /nfs/dbraw/zinc/25/87/31/346258731.db2.gz BPDCNBWVFSQVSJ-YPMHNXCESA-N 1 0 236.315 2.054 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2ccccc21 ZINC000289690857 346262215 /nfs/dbraw/zinc/26/22/15/346262215.db2.gz IDLFVDBCUXWZHH-OCCSQVGLSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCCc2ccccc21 ZINC000289690850 346262449 /nfs/dbraw/zinc/26/24/49/346262449.db2.gz IDLFVDBCUXWZHH-GXTWGEPZSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1C ZINC000289700788 346285870 /nfs/dbraw/zinc/28/58/70/346285870.db2.gz DNOWLSADAWDCOG-OCCSQVGLSA-N 1 0 219.328 2.063 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C)nn(CCC)c1C ZINC000289390568 346285947 /nfs/dbraw/zinc/28/59/47/346285947.db2.gz NMHDGUJICKOXFI-SNVBAGLBSA-N 1 0 219.332 2.021 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(SC)o1 ZINC000641747999 362675817 /nfs/dbraw/zinc/67/58/17/362675817.db2.gz RMPVTZFGBARAJI-VIFPVBQESA-N 1 0 227.329 2.028 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccncc1N ZINC000641748319 362676156 /nfs/dbraw/zinc/67/61/56/362676156.db2.gz QFNSYLDKGKPVOK-UHFFFAOYSA-N 1 0 205.305 2.110 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000289695028 346287288 /nfs/dbraw/zinc/28/72/88/346287288.db2.gz DEZVPTPVQBRDEB-VIFPVBQESA-N 1 0 240.372 2.077 20 30 BEEDRO C=CCCCNC(=[NH2+])NC1CCCCC1 ZINC000280636208 346330310 /nfs/dbraw/zinc/33/03/10/346330310.db2.gz MIDBMCBZDLMPHR-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445259 201926756 /nfs/dbraw/zinc/92/67/56/201926756.db2.gz HEQGXZAXHIORQJ-FIQHERPVSA-N 1 0 224.373 2.410 20 30 BEEDRO CC(C)n1nccc1C[NH2+]CCCCC#N ZINC000280947066 346345214 /nfs/dbraw/zinc/34/52/14/346345214.db2.gz RGSDRYMEAOHPLQ-UHFFFAOYSA-N 1 0 220.320 2.247 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccccc1C1CC1 ZINC000641768995 362708637 /nfs/dbraw/zinc/70/86/37/362708637.db2.gz NKEVXLSKXLTXST-HNNXBMFYSA-N 1 0 243.350 2.428 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000641768002 362697936 /nfs/dbraw/zinc/69/79/36/362697936.db2.gz TYOVNLBAOLVGKA-AEGPPILISA-N 1 0 235.371 2.343 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000641766841 362699085 /nfs/dbraw/zinc/69/90/85/362699085.db2.gz BVLYWQAYINLFRI-RRFJBIMHSA-N 1 0 235.371 2.343 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]CC(C)(C)c1ccccc1 ZINC000641766872 362699625 /nfs/dbraw/zinc/69/96/25/362699625.db2.gz CRNJVCWTSGORRH-OAHLLOKOSA-N 1 0 245.366 2.328 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cscc1Cl ZINC000641767127 362700337 /nfs/dbraw/zinc/70/03/37/362700337.db2.gz HIODYPKRVJECSZ-JTQLQIEISA-N 1 0 243.759 2.265 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000641767437 362700454 /nfs/dbraw/zinc/70/04/54/362700454.db2.gz KXVIJRBGUUDHHW-ZDUSSCGKSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(C)sc1C ZINC000641767378 362700654 /nfs/dbraw/zinc/70/06/54/362700654.db2.gz JOLMMWGWTMJOAE-ZDUSSCGKSA-N 1 0 237.368 2.229 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1csc(C)c1C ZINC000641767419 362700710 /nfs/dbraw/zinc/70/07/10/362700710.db2.gz KRQGQZQWIBHVPL-CYBMUJFWSA-N 1 0 237.368 2.229 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC000636236608 346363807 /nfs/dbraw/zinc/36/38/07/346363807.db2.gz QAGFQWCFRRLTRO-BETUJISGSA-N 1 0 248.370 2.038 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc2ccccc2o1 ZINC000641769657 362704321 /nfs/dbraw/zinc/70/43/21/362704321.db2.gz XMGFISQPNUEUKQ-ZDUSSCGKSA-N 1 0 243.306 2.297 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636155891 346338237 /nfs/dbraw/zinc/33/82/37/346338237.db2.gz DKCQRVQWAIGPOL-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1ccnc1C#N ZINC000336386991 187367201 /nfs/dbraw/zinc/36/72/01/187367201.db2.gz STFSUEBENCATKU-LBPRGKRZSA-N 1 0 232.331 2.018 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636249890 346369367 /nfs/dbraw/zinc/36/93/67/346369367.db2.gz PWUAEWNZLZFOIP-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CN[C@@H](C(=O)OC)C1CCCCC1 ZINC000309975778 323122756 /nfs/dbraw/zinc/12/27/56/323122756.db2.gz SOCVPXBJWJMXIB-GFCCVEGCSA-N 1 0 225.332 2.274 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)CCc1ccccn1 ZINC000679219659 488318797 /nfs/dbraw/zinc/31/87/97/488318797.db2.gz RLCCPIUQLBSKDY-CYBMUJFWSA-N 1 0 216.328 2.358 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCOC[C@H]1OC ZINC000449462599 201932401 /nfs/dbraw/zinc/93/24/01/201932401.db2.gz UMAWBUNLKGGDBG-HZSPNIEDSA-N 1 0 241.375 2.372 20 30 BEEDRO CSc1ccc(C[NH2+]CCCC#N)o1 ZINC000603437894 349969448 /nfs/dbraw/zinc/96/94/48/349969448.db2.gz ULHVNNGRMSZPEB-UHFFFAOYSA-N 1 0 210.302 2.395 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387820989 347098686 /nfs/dbraw/zinc/09/86/86/347098686.db2.gz VLJASPLIFMXUPX-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ncccn1 ZINC000580096627 346521991 /nfs/dbraw/zinc/52/19/91/346521991.db2.gz LCDFCTJMSQUIGN-WDEREUQCSA-N 1 0 205.305 2.167 20 30 BEEDRO C=C(Cl)CN[C@@H](C)c1cnn(CC)c1 ZINC000161756931 346499592 /nfs/dbraw/zinc/49/95/92/346499592.db2.gz KEIOPIUKEUGLIW-VIFPVBQESA-N 1 0 213.712 2.306 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1OC ZINC000186704914 346533743 /nfs/dbraw/zinc/53/37/43/346533743.db2.gz OSAYLFABQWDLKY-OCCSQVGLSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCCSC1 ZINC000163977996 346584943 /nfs/dbraw/zinc/58/49/43/346584943.db2.gz VNMRXCRNTCTEPH-QMMMGPOBSA-N 1 0 236.178 2.380 20 30 BEEDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(C#N)ccn1 ZINC000587979775 346609627 /nfs/dbraw/zinc/60/96/27/346609627.db2.gz JOXVGXKSRLXOGV-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563619876 323131675 /nfs/dbraw/zinc/13/16/75/323131675.db2.gz CLAGRNXOYLPDKQ-NWDGAFQWSA-N 1 0 222.332 2.322 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)C1([NH3+])CC1 ZINC000580639715 365838641 /nfs/dbraw/zinc/83/86/41/365838641.db2.gz WAAUBMYCCFHQFB-UHFFFAOYSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000589078059 346664284 /nfs/dbraw/zinc/66/42/84/346664284.db2.gz VQSAEHVZXFMGCZ-UHFFFAOYSA-N 1 0 242.282 2.172 20 30 BEEDRO CC(C)C[C@@H](C)C[NH2+]C1CCN(CC#N)CC1 ZINC000589168797 346671536 /nfs/dbraw/zinc/67/15/36/346671536.db2.gz FDOUCCIVQOYBBX-CYBMUJFWSA-N 1 0 237.391 2.246 20 30 BEEDRO CSCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000300898336 346635637 /nfs/dbraw/zinc/63/56/37/346635637.db2.gz VNLLJGNOWKSOJR-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H](Nc1cccnc1C#N)C(C)(C)C[NH+](C)C ZINC000589578628 346715893 /nfs/dbraw/zinc/71/58/93/346715893.db2.gz UPWYVKWATURAQD-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO CC(C)(CO)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000589341713 346690450 /nfs/dbraw/zinc/69/04/50/346690450.db2.gz XDQFSXNMYQCIMB-CQSZACIVSA-N 1 0 244.338 2.154 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000181652942 346758765 /nfs/dbraw/zinc/75/87/65/346758765.db2.gz WKJBKSLPUPXVJP-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO CN1C[C@H]2[C@@H](CC[N@@H+]2CCCCC(C)(C)C#N)C1 ZINC000590010419 346763085 /nfs/dbraw/zinc/76/30/85/346763085.db2.gz IBLRBWUTGBXTFP-KBPBESRZSA-N 1 0 249.402 2.342 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC(C3CC3)C2)s1 ZINC000589736766 346734350 /nfs/dbraw/zinc/73/43/50/346734350.db2.gz KYARIEZHLOKRDF-UHFFFAOYSA-N 1 0 218.325 2.462 20 30 BEEDRO COc1ccc(C[NH+]2CC(C3CC3)C2)cc1C#N ZINC000589736890 346734530 /nfs/dbraw/zinc/73/45/30/346734530.db2.gz YUIAXKNWGSNTFX-UHFFFAOYSA-N 1 0 242.322 2.409 20 30 BEEDRO COc1cc(C[NH+]2CC(C3CC3)C2)ccc1C#N ZINC000589736757 346734738 /nfs/dbraw/zinc/73/47/38/346734738.db2.gz IDBDDSIGJXJSQQ-UHFFFAOYSA-N 1 0 242.322 2.409 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000577173290 365857050 /nfs/dbraw/zinc/85/70/50/365857050.db2.gz NVFMMXIBWVLSHM-ZDUSSCGKSA-N 1 0 215.300 2.175 20 30 BEEDRO CC[N@H+](CCOCCC#N)Cc1ccoc1 ZINC000590157827 346781760 /nfs/dbraw/zinc/78/17/60/346781760.db2.gz SYEGLXOTPRDPSS-UHFFFAOYSA-N 1 0 222.288 2.032 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC000590162743 346785433 /nfs/dbraw/zinc/78/54/33/346785433.db2.gz QVYLRESHKVKGAU-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000590169315 346786982 /nfs/dbraw/zinc/78/69/82/346786982.db2.gz NHVSEOGXTRVBKY-UWVGGRQHSA-N 1 0 226.270 2.410 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC000590169332 346787263 /nfs/dbraw/zinc/78/72/63/346787263.db2.gz QFYOPEBHHIBSOT-QWHCGFSZSA-N 1 0 234.343 2.181 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000378674708 346802370 /nfs/dbraw/zinc/80/23/70/346802370.db2.gz NSHODXUVPYCXPG-GARJFASQSA-N 1 0 210.321 2.082 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCC12CCOCC2 ZINC000309604497 347120303 /nfs/dbraw/zinc/12/03/03/347120303.db2.gz XLLAJLOHYGIFGK-LBPRGKRZSA-N 1 0 222.332 2.229 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCc2ncccc21 ZINC000601276443 347137880 /nfs/dbraw/zinc/13/78/80/347137880.db2.gz KTCFTEQHPMRAIP-LBPRGKRZSA-N 1 0 215.300 2.352 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000601276442 347138516 /nfs/dbraw/zinc/13/85/16/347138516.db2.gz KTCFTEQHPMRAIP-GFCCVEGCSA-N 1 0 215.300 2.352 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@H]1C ZINC000252727132 347139347 /nfs/dbraw/zinc/13/93/47/347139347.db2.gz ANQRIKIQVKFRHW-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@H]2CC)CC1 ZINC000309703009 347145067 /nfs/dbraw/zinc/14/50/67/347145067.db2.gz NIEHOVQSWWEWJA-TZMCWYRMSA-N 1 0 222.376 2.415 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000397581520 347149000 /nfs/dbraw/zinc/14/90/00/347149000.db2.gz FXSRWFUUPICKHE-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CCC2(CCCO2)CC1 ZINC000309732342 347151165 /nfs/dbraw/zinc/15/11/65/347151165.db2.gz FNYXPBHHGPEDFP-PNESKVBLSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1cccc(C)n1 ZINC000582059751 347155187 /nfs/dbraw/zinc/15/51/87/347155187.db2.gz CPYWXYUDHRQEKD-UHFFFAOYSA-N 1 0 234.343 2.067 20 30 BEEDRO COC1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000309661664 347130607 /nfs/dbraw/zinc/13/06/07/347130607.db2.gz RODHFUKAWPTKEB-GMKTYKIGSA-N 1 0 222.332 2.226 20 30 BEEDRO COC1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000309661662 347130878 /nfs/dbraw/zinc/13/08/78/347130878.db2.gz RODHFUKAWPTKEB-CQLXCSJHSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C[C@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000309670040 347132836 /nfs/dbraw/zinc/13/28/36/347132836.db2.gz JKVNYTMDRRIVLE-FWLQQBITSA-N 1 0 217.312 2.226 20 30 BEEDRO CCCC[C@H](CC)[NH+]1CCN(CCC#N)CC1 ZINC000601315403 347196972 /nfs/dbraw/zinc/19/69/72/347196972.db2.gz JGXHGNQPDBEPIR-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491786427 347197206 /nfs/dbraw/zinc/19/72/06/347197206.db2.gz WMVDYSZEANGEGX-OLZOCXBDSA-N 1 0 242.322 2.431 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)c1ccc(CC)cc1 ZINC000309911113 347197774 /nfs/dbraw/zinc/19/77/74/347197774.db2.gz MRXVLXVCNWDUAU-CQSZACIVSA-N 1 0 219.328 2.448 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1([S@@](C)=O)CC1)C1CC1 ZINC000309905086 347198956 /nfs/dbraw/zinc/19/89/56/347198956.db2.gz JUTFCVBFPDBETI-BLLLJJGKSA-N 1 0 241.400 2.232 20 30 BEEDRO C=CCC[N@H+](C)CCCn1ccnc1C ZINC000271028083 166255817 /nfs/dbraw/zinc/25/58/17/166255817.db2.gz PJDOPHNBTMTGNI-UHFFFAOYSA-N 1 0 207.321 2.090 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnc2cc(C)ccn12 ZINC000119652151 347299051 /nfs/dbraw/zinc/29/90/51/347299051.db2.gz OKABJUCQGZNJCR-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C#CCN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000364066343 347253969 /nfs/dbraw/zinc/25/39/69/347253969.db2.gz OJGGVQQBWRKKQU-LSDHHAIUSA-N 1 0 234.387 2.206 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000388360927 347269385 /nfs/dbraw/zinc/26/93/85/347269385.db2.gz SQELEUJDHKGGGV-NHYWBVRUSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000130537033 133658962 /nfs/dbraw/zinc/65/89/62/133658962.db2.gz FOGQNHDPSIRVJB-LLVKDONJSA-N 1 0 232.327 2.230 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000300898544 347275194 /nfs/dbraw/zinc/27/51/94/347275194.db2.gz IOUHZFHXYDFFGF-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@H](CCOC)C1 ZINC000364147099 347281290 /nfs/dbraw/zinc/28/12/90/347281290.db2.gz GQVXNCLGUUXVON-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CCSCC[NH2+]C[C@](C)(CC)OC ZINC000319511456 347416254 /nfs/dbraw/zinc/41/62/54/347416254.db2.gz XOMSPOIFDAFWSA-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnn2ccccc12 ZINC000276074476 166258488 /nfs/dbraw/zinc/25/84/88/166258488.db2.gz AICULIUXGBZHDN-UHFFFAOYSA-N 1 0 215.300 2.342 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](C)O ZINC000192973915 347387598 /nfs/dbraw/zinc/38/75/98/347387598.db2.gz FSFXVYPFSDSUHH-CYBMUJFWSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000116987771 347387661 /nfs/dbraw/zinc/38/76/61/347387661.db2.gz NGRPGYZALOXTBN-RVMXOQNASA-N 1 0 238.375 2.329 20 30 BEEDRO COC(=O)[C@H]1CC[C@@H](/N=C/c2ccccc2O)C1 ZINC000193257582 347393891 /nfs/dbraw/zinc/39/38/91/347393891.db2.gz XNJGCXUEDLIZIX-DLVFKZMPSA-N 1 0 247.294 2.153 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302017 347394680 /nfs/dbraw/zinc/39/46/80/347394680.db2.gz YCJWPJZGVQSICD-NWDGAFQWSA-N 1 0 249.333 2.384 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000301942648 347443670 /nfs/dbraw/zinc/44/36/70/347443670.db2.gz HTEPLRUUISHWJR-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000590648015 347485446 /nfs/dbraw/zinc/48/54/46/347485446.db2.gz RDOWXQGUCFOUBQ-CEUNDQEZSA-N 1 0 236.359 2.352 20 30 BEEDRO CCc1cc(N2CC[C@@](F)(C#N)C2)ccn1 ZINC000590698779 347492613 /nfs/dbraw/zinc/49/26/13/347492613.db2.gz OHHIMDNDKXUEII-GFCCVEGCSA-N 1 0 219.263 2.086 20 30 BEEDRO C=CCCCC[NH+]1C[C@@H](C)S(=O)[C@H](C)C1 ZINC000590724926 347496106 /nfs/dbraw/zinc/49/61/06/347496106.db2.gz YOSMMTCNNQQAHS-VXGBXAGGSA-N 1 0 229.389 2.184 20 30 BEEDRO C#CC[N@H+](CC)CCc1cccc(F)c1F ZINC000490933002 362846239 /nfs/dbraw/zinc/84/62/39/362846239.db2.gz BXZNIUUZWPKLJI-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO COCC1(C[NH2+]CCCCC#N)CCC1 ZINC000380103168 365880613 /nfs/dbraw/zinc/88/06/13/365880613.db2.gz QEYNWSQFGVITNU-UHFFFAOYSA-N 1 0 210.321 2.087 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000590707617 347498147 /nfs/dbraw/zinc/49/81/47/347498147.db2.gz MHTTUOUUCADYOM-VXGBXAGGSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000111258714 347472664 /nfs/dbraw/zinc/47/26/64/347472664.db2.gz RGFULLQRWMRSDW-LLVKDONJSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H](C#N)CN(C)c1[nH+]ccc2[nH]ccc21 ZINC000590571904 347473760 /nfs/dbraw/zinc/47/37/60/347473760.db2.gz GZWAMBLBCYRZJA-VIFPVBQESA-N 1 0 214.272 2.159 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1CCCC[C@H]1O ZINC000590602098 347476198 /nfs/dbraw/zinc/47/61/98/347476198.db2.gz FLOVEFMAGDAIRG-UONOGXRCSA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1ccc(C[N@H+](C)CCCC#N)nc1 ZINC000590754868 347505372 /nfs/dbraw/zinc/50/53/72/347505372.db2.gz QREUPUANNHIQJV-UHFFFAOYSA-N 1 0 203.289 2.126 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279010405 166262447 /nfs/dbraw/zinc/26/24/47/166262447.db2.gz AEOMYDKWBQDVOC-SNVBAGLBSA-N 1 0 221.304 2.060 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617007693 347577195 /nfs/dbraw/zinc/57/71/95/347577195.db2.gz YJOYRNNMYFSHNU-LLVKDONJSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617007694 347577239 /nfs/dbraw/zinc/57/72/39/347577239.db2.gz YJOYRNNMYFSHNU-NSHDSACASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000271219169 166265716 /nfs/dbraw/zinc/26/57/16/166265716.db2.gz JUHCCYHWYKJIGW-CHWSQXEVSA-N 1 0 219.332 2.342 20 30 BEEDRO CCC[NH+]1CCC(NCC2(C#N)CCC2)CC1 ZINC000591357641 347644485 /nfs/dbraw/zinc/64/44/85/347644485.db2.gz QRNMJKCLICSVOE-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000591374822 347649875 /nfs/dbraw/zinc/64/98/75/347649875.db2.gz PVUISVAYUZQOKI-AVGNSLFASA-N 1 0 219.332 2.312 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591055378 347611693 /nfs/dbraw/zinc/61/16/93/347611693.db2.gz ICABOCZAMFGFHE-JSGCOSHPSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570984 347675648 /nfs/dbraw/zinc/67/56/48/347675648.db2.gz PRZDRGOBEHITAW-HUBLWGQQSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(C#N)cc1F ZINC000591577256 347676800 /nfs/dbraw/zinc/67/68/00/347676800.db2.gz IQQSDQARQCZZBE-JTQLQIEISA-N 1 0 247.317 2.100 20 30 BEEDRO CC1(C[NH2+]CCC#N)Cc2ccccc2C1 ZINC000591757481 347691695 /nfs/dbraw/zinc/69/16/95/347691695.db2.gz NYUTWPKVPHTLIX-UHFFFAOYSA-N 1 0 214.312 2.295 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000591728979 347693202 /nfs/dbraw/zinc/69/32/02/347693202.db2.gz BBFQACONCJGIBJ-TZMCWYRMSA-N 1 0 239.322 2.359 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000591845581 347706603 /nfs/dbraw/zinc/70/66/03/347706603.db2.gz PQWFYTUBLUTLDS-OLZOCXBDSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000592374345 347770980 /nfs/dbraw/zinc/77/09/80/347770980.db2.gz ARVPJOAKHAMNSH-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000592375556 347771820 /nfs/dbraw/zinc/77/18/20/347771820.db2.gz TZTOEIRRFGECDY-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cc2n(n1)CCCC2 ZINC000592389156 347772597 /nfs/dbraw/zinc/77/25/97/347772597.db2.gz JMDOFKSYAKISRB-NSHDSACASA-N 1 0 232.331 2.174 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cc2n(n1)CCCC2 ZINC000592389155 347772689 /nfs/dbraw/zinc/77/26/89/347772689.db2.gz JMDOFKSYAKISRB-LLVKDONJSA-N 1 0 232.331 2.174 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449517427 201948746 /nfs/dbraw/zinc/94/87/46/201948746.db2.gz FPBQYJLHIPWFFY-LPWJVIDDSA-N 1 0 220.316 2.002 20 30 BEEDRO CCC[N@H+](CC)Cc1ccncc1C#N ZINC000592064747 347726162 /nfs/dbraw/zinc/72/61/62/347726162.db2.gz ICROFPIAVINSED-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592067525 347726472 /nfs/dbraw/zinc/72/64/72/347726472.db2.gz YXKCORFBGXZNTD-CYBMUJFWSA-N 1 0 215.300 2.328 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000592072272 347728405 /nfs/dbraw/zinc/72/84/05/347728405.db2.gz SGTLHWSYTBMWJM-TXEJJXNPSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccncc1C#N ZINC000592055783 347731618 /nfs/dbraw/zinc/73/16/18/347731618.db2.gz ILEABWYRFWDBJO-JTQLQIEISA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000592106996 347734599 /nfs/dbraw/zinc/73/45/99/347734599.db2.gz BXLFWMPDAWAYHU-BXUZGUMPSA-N 1 0 227.311 2.328 20 30 BEEDRO C[N@H+](CCC[C@H]1CCOC1)CC(C)(C)C#N ZINC000592121690 347736491 /nfs/dbraw/zinc/73/64/91/347736491.db2.gz AZKOPCFLYNJNRS-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592120460 347736710 /nfs/dbraw/zinc/73/67/10/347736710.db2.gz APCLRTXXVXLYSD-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1C ZINC000592153046 347743637 /nfs/dbraw/zinc/74/36/37/347743637.db2.gz IEHBOAHTQDNTFA-OAHLLOKOSA-N 1 0 244.338 2.154 20 30 BEEDRO N#CC[C@]1(O)CC[N@@H+]([C@H]2C=CCCCCC2)C1 ZINC000592152869 347743790 /nfs/dbraw/zinc/74/37/90/347743790.db2.gz FXRRUGQIKJCYOZ-KBPBESRZSA-N 1 0 234.343 2.226 20 30 BEEDRO CCc1cccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592152767 347743817 /nfs/dbraw/zinc/74/38/17/347743817.db2.gz CWEIKZNLHXCWFC-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO CC[N@H+](CCSC)[C@H](C)CCC#N ZINC000592201863 347753575 /nfs/dbraw/zinc/75/35/75/347753575.db2.gz IJYZTWHLFIHWCT-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO CC[N@H+](CCCSCC#N)CCSC ZINC000592201524 347753814 /nfs/dbraw/zinc/75/38/14/347753814.db2.gz VCOGRHAUXUHYET-UHFFFAOYSA-N 1 0 232.418 2.318 20 30 BEEDRO CC[N@H+](CCSC)[C@@H]1CC[C@H](C#N)C1 ZINC000592202670 347754676 /nfs/dbraw/zinc/75/46/76/347754676.db2.gz QAPLFVQBQQNPCV-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO Cc1cccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1C ZINC000592524738 347794805 /nfs/dbraw/zinc/79/48/05/347794805.db2.gz ZOLBGHIRJLHCQS-OAHLLOKOSA-N 1 0 244.338 2.154 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC(C)(C)C1 ZINC000449521223 201951794 /nfs/dbraw/zinc/95/17/94/201951794.db2.gz RGAWYDVKLFTVOC-TUAOUCFPSA-N 1 0 209.333 2.498 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccncc1C#N)C(C)(C)C ZINC000593102924 347858966 /nfs/dbraw/zinc/85/89/66/347858966.db2.gz BCUDEILDSWRWGC-SNVBAGLBSA-N 1 0 217.316 2.477 20 30 BEEDRO CC[C@H](CO)[N@H+](C)CCCC(C)(C)C#N ZINC000345843409 365925161 /nfs/dbraw/zinc/92/51/61/365925161.db2.gz UZZLOFFTHBQLLQ-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@@H](CO)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000593082629 347851479 /nfs/dbraw/zinc/85/14/79/347851479.db2.gz ITOIGHCGRSURJB-LBPRGKRZSA-N 1 0 238.375 2.267 20 30 BEEDRO C[C@H](CO)C1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000593085021 347851942 /nfs/dbraw/zinc/85/19/42/347851942.db2.gz SWAWRWSSJMNKPN-MBNYWOFBSA-N 1 0 236.359 2.019 20 30 BEEDRO N#CCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118512 347862925 /nfs/dbraw/zinc/86/29/25/347862925.db2.gz XGPUSXQCMUEDBL-SECBINFHSA-N 1 0 200.232 2.021 20 30 BEEDRO N#Cc1cc(C[N@H+]2CC[C@]3(CC3(F)F)C2)ccn1 ZINC000593116235 347861813 /nfs/dbraw/zinc/86/18/13/347861813.db2.gz GOMPLEXVNWKOBU-LBPRGKRZSA-N 1 0 249.264 2.184 20 30 BEEDRO CN(CC[NH+]1CCCCC1)c1ccc(C#N)cc1 ZINC000593517936 347903603 /nfs/dbraw/zinc/90/36/03/347903603.db2.gz VIMIIALYCURARZ-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CCCC1 ZINC000449546593 201959364 /nfs/dbraw/zinc/95/93/64/201959364.db2.gz CLQABKACEHVLPL-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CC3(CCC3)C2)n1 ZINC000593687208 347926862 /nfs/dbraw/zinc/92/68/62/347926862.db2.gz GVXRXIHFEAOAOU-UHFFFAOYSA-N 1 0 233.340 2.437 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000593681706 347932495 /nfs/dbraw/zinc/93/24/95/347932495.db2.gz HHYUFHKHOJVKGX-RAIGVLPGSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000593595590 347915548 /nfs/dbraw/zinc/91/55/48/347915548.db2.gz OWSVFWMHAKPKRA-HIFRSBDPSA-N 1 0 247.386 2.309 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2([S@](C)=O)CC2)C1 ZINC000593626325 347917893 /nfs/dbraw/zinc/91/78/93/347917893.db2.gz WLSDJHFCRRQSDT-HSMVNMDESA-N 1 0 241.400 2.232 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)C1 ZINC000593601128 347919152 /nfs/dbraw/zinc/91/91/52/347919152.db2.gz RGRCIJAYUBPGMW-QNWHQSFQSA-N 1 0 243.416 2.433 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)CSC)C1 ZINC000593603206 347919156 /nfs/dbraw/zinc/91/91/56/347919156.db2.gz SOOPELAKQAPNLO-JHJVBQTASA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[S@@](C)=O)C1 ZINC000593613028 347920659 /nfs/dbraw/zinc/92/06/59/347920659.db2.gz PJAORMPSKRKGIK-RSUWNVLCSA-N 1 0 243.416 2.478 20 30 BEEDRO COC[C@@H](CC(C)(C)C)[NH2+]CCCC#N ZINC000593614559 347920882 /nfs/dbraw/zinc/92/08/82/347920882.db2.gz DIFQKGUBXFJOII-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593654439 347921943 /nfs/dbraw/zinc/92/19/43/347921943.db2.gz CMKORWZKSFTDKW-GFCCVEGCSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C#N)cn1 ZINC000593959610 347972036 /nfs/dbraw/zinc/97/20/36/347972036.db2.gz PGLVIQOJHAOHSJ-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO CCc1cnccc1NC(=O)CCCCC#N ZINC000593978416 347986058 /nfs/dbraw/zinc/98/60/58/347986058.db2.gz XHPZDTRCOOBSOE-UHFFFAOYSA-N 1 0 231.299 2.088 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000594012937 347989109 /nfs/dbraw/zinc/98/91/09/347989109.db2.gz QJLVHKPOEXDGFD-GRYCIOLGSA-N 1 0 229.327 2.430 20 30 BEEDRO Cc1ncc([C@@H](C)[NH2+]CCCC#N)s1 ZINC000308647864 347989840 /nfs/dbraw/zinc/98/98/40/347989840.db2.gz IONPAMSRCNXDNW-MRVPVSSYSA-N 1 0 209.318 2.406 20 30 BEEDRO CCC(C)(C)[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000594021603 347991131 /nfs/dbraw/zinc/99/11/31/347991131.db2.gz WRPXCTVOXKZJBH-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000594028388 347992179 /nfs/dbraw/zinc/99/21/79/347992179.db2.gz OJXCVULODWYPCF-LBPRGKRZSA-N 1 0 242.322 2.300 20 30 BEEDRO C[C@@H](O)C[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000594062979 347997561 /nfs/dbraw/zinc/99/75/61/347997561.db2.gz HKKUPLRRRWKSIC-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)C(=O)N(CC)CC)CC1 ZINC000111260132 490119065 /nfs/dbraw/zinc/11/90/65/490119065.db2.gz GNROLHQKUMUZOV-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000594515797 348063271 /nfs/dbraw/zinc/06/32/71/348063271.db2.gz RITIDMAICOAGAT-MBNYWOFBSA-N 1 0 229.327 2.294 20 30 BEEDRO CC[C@@H](O)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594508035 348064800 /nfs/dbraw/zinc/06/48/00/348064800.db2.gz RTQBYWSUKBWQJK-CQSZACIVSA-N 1 0 246.354 2.348 20 30 BEEDRO COCC1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000594508758 348064986 /nfs/dbraw/zinc/06/49/86/348064986.db2.gz BYMWMJPHWCEHPU-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](O)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594508029 348065086 /nfs/dbraw/zinc/06/50/86/348065086.db2.gz RTQBYWSUKBWQJK-AWEZNQCLSA-N 1 0 246.354 2.348 20 30 BEEDRO Cc1cnc(CC[NH2+][C@@H](C)CC#N)c(C)c1 ZINC000594536894 348065503 /nfs/dbraw/zinc/06/55/03/348065503.db2.gz JMVITHQHDIHDNC-LBPRGKRZSA-N 1 0 217.316 2.133 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000594592617 348079258 /nfs/dbraw/zinc/07/92/58/348079258.db2.gz UCGUJZQUEXFGCL-GSJFWJNXSA-N 1 0 247.317 2.449 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)c(C)c2)CC1 ZINC000594516626 348069113 /nfs/dbraw/zinc/06/91/13/348069113.db2.gz YCXTZRUNXFKMBV-UHFFFAOYSA-N 1 0 244.338 2.383 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000594520382 348070027 /nfs/dbraw/zinc/07/00/27/348070027.db2.gz NWFABTVCTJTYEB-QPSCCSFWSA-N 1 0 247.386 2.285 20 30 BEEDRO CC(C)C[C@H]([NH3+])CN1Cc2ccc(C#N)cc2C1 ZINC000594581041 348076404 /nfs/dbraw/zinc/07/64/04/348076404.db2.gz FXRASBJNJMKMIX-HNNXBMFYSA-N 1 0 243.354 2.247 20 30 BEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000594424621 348051422 /nfs/dbraw/zinc/05/14/22/348051422.db2.gz HERQRONKNJGBPX-LBPRGKRZSA-N 1 0 249.289 2.175 20 30 BEEDRO Cc1ccccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425687 348052051 /nfs/dbraw/zinc/05/20/51/348052051.db2.gz LZLHFIYCMMCMTJ-GFCCVEGCSA-N 1 0 245.326 2.345 20 30 BEEDRO COCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000594512720 348061076 /nfs/dbraw/zinc/06/10/76/348061076.db2.gz WLOANZAUMCZAJL-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO COCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000594513647 348061950 /nfs/dbraw/zinc/06/19/50/348061950.db2.gz FDIMLMVUQDPLGD-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO CC(C)C[C@H]([NH3+])CNCC1(C#N)CCCCC1 ZINC000594739384 348110471 /nfs/dbraw/zinc/11/04/71/348110471.db2.gz PDBOQMDHYJEGLM-ZDUSSCGKSA-N 1 0 237.391 2.423 20 30 BEEDRO C[C@]1(CNCC2(C#N)CCCCC2)CC[NH2+]C1 ZINC000594738912 348110601 /nfs/dbraw/zinc/11/06/01/348110601.db2.gz JOZLKTFQLDOQOV-ZDUSSCGKSA-N 1 0 235.375 2.050 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000491325917 362850939 /nfs/dbraw/zinc/85/09/39/362850939.db2.gz IGEWLIPEJDLGJX-GFCCVEGCSA-N 1 0 229.323 2.118 20 30 BEEDRO CC(C)[C@@H]([NH3+])c1cn(CC2(C#N)CCCC2)nn1 ZINC000594656651 348092533 /nfs/dbraw/zinc/09/25/33/348092533.db2.gz YFZDDWINVJAWLE-GFCCVEGCSA-N 1 0 247.346 2.018 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CO1 ZINC000594943583 348144279 /nfs/dbraw/zinc/14/42/79/348144279.db2.gz DKJWVDXYEUEPOI-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594943543 348144314 /nfs/dbraw/zinc/14/43/14/348144314.db2.gz KZNTVOQLBRPNQP-UTUOFQBUSA-N 1 0 239.359 2.376 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CO1 ZINC000594943581 348144316 /nfs/dbraw/zinc/14/43/16/348144316.db2.gz DKJWVDXYEUEPOI-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CSCCF ZINC000595041016 348177576 /nfs/dbraw/zinc/17/75/76/348177576.db2.gz JDRMEPDLKQWYJZ-UTUOFQBUSA-N 1 0 247.379 2.401 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CO1 ZINC000594952809 348147982 /nfs/dbraw/zinc/14/79/82/348147982.db2.gz DFTXTCIKPSSJJD-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCSCC[NH2+]C1CCOCC1 ZINC000594959719 348150277 /nfs/dbraw/zinc/15/02/77/348150277.db2.gz AROLZMSQOCMATI-UHFFFAOYSA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccncc1 ZINC000594960230 348150892 /nfs/dbraw/zinc/15/08/92/348150892.db2.gz NMSLUMOAGYYNFK-UHFFFAOYSA-N 1 0 222.357 2.481 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000594966822 348160660 /nfs/dbraw/zinc/16/06/60/348160660.db2.gz AVOURRDIATVMFI-SDDRHHMPSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000594966820 348160703 /nfs/dbraw/zinc/16/07/03/348160703.db2.gz AVOURRDIATVMFI-IJLUTSLNSA-N 1 0 225.332 2.130 20 30 BEEDRO COC1CC(CC[NH2+]Cc2cccc(C#N)c2)C1 ZINC000594969652 348162071 /nfs/dbraw/zinc/16/20/71/348162071.db2.gz YQPVKGBRFGUYMA-UHFFFAOYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](CSCCF)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595044238 348178852 /nfs/dbraw/zinc/17/88/52/348178852.db2.gz JUUTURLDXXYCGR-GARJFASQSA-N 1 0 230.352 2.359 20 30 BEEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(C#N)o2)O1 ZINC000594982938 348164796 /nfs/dbraw/zinc/16/47/96/348164796.db2.gz DBMVVJDOWKGTBY-CMPLNLGQSA-N 1 0 234.299 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000594983523 348165068 /nfs/dbraw/zinc/16/50/68/348165068.db2.gz OOHZMAMKLDEGBX-OAHLLOKOSA-N 1 0 244.338 2.056 20 30 BEEDRO N#CC1(C[NH2+]C2CCOCC2)CCCCC1 ZINC000594981939 348165099 /nfs/dbraw/zinc/16/50/99/348165099.db2.gz VSCGZASSLRLHRR-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000594990456 348166799 /nfs/dbraw/zinc/16/67/99/348166799.db2.gz YZYRXZKUHVKIPX-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000594996968 348168430 /nfs/dbraw/zinc/16/84/30/348168430.db2.gz WLCBTDISPWUXAQ-AWEZNQCLSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]1C[NH+](CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595288426 348213632 /nfs/dbraw/zinc/21/36/32/348213632.db2.gz IGEMVRKUUAIRJK-STQMWFEESA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595302121 348219923 /nfs/dbraw/zinc/21/99/23/348219923.db2.gz RTHJHYQZMNDMPC-LBPRGKRZSA-N 1 0 214.312 2.443 20 30 BEEDRO C[NH+](C)[C@H]1CCCN([C@H](C#N)c2ccccc2)C1 ZINC000595306509 348222186 /nfs/dbraw/zinc/22/21/86/348222186.db2.gz NPBUCKDBZLGRAR-LSDHHAIUSA-N 1 0 243.354 2.277 20 30 BEEDRO CCCC[N@H+](CCO)CCc1ccc(C#N)cc1 ZINC000595307230 348222756 /nfs/dbraw/zinc/22/27/56/348222756.db2.gz KDXCFAHWZFOZRH-UHFFFAOYSA-N 1 0 246.354 2.195 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1ccnn1C ZINC000595057827 348183048 /nfs/dbraw/zinc/18/30/48/348183048.db2.gz FJJGVBQOFREHFI-NSHDSACASA-N 1 0 239.388 2.380 20 30 BEEDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc(C#N)c1 ZINC000595057514 348183130 /nfs/dbraw/zinc/18/31/30/348183130.db2.gz YPIBXHLXAQFQDH-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C#N)c1 ZINC000595057516 348183157 /nfs/dbraw/zinc/18/31/57/348183157.db2.gz YPIBXHLXAQFQDH-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 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Cc1ccncc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595071267 348188142 /nfs/dbraw/zinc/18/81/42/348188142.db2.gz CAHVTHYQNNWFOT-GXTWGEPZSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595077878 348189738 /nfs/dbraw/zinc/18/97/38/348189738.db2.gz QUUMXZJYDNDGID-OLZOCXBDSA-N 1 0 222.332 2.251 20 30 BEEDRO CC(C)(C)OCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595076506 348189862 /nfs/dbraw/zinc/18/98/62/348189862.db2.gz KWABMWNEKOSVTG-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](Cn1cccn1)[NH2+]CC1(C#N)CCCCC1 ZINC000595091993 348191690 /nfs/dbraw/zinc/19/16/90/348191690.db2.gz UHGBSTJGXWWENE-ZDUSSCGKSA-N 1 0 246.358 2.335 20 30 BEEDRO COC[C@@H]([NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000595091224 348192042 /nfs/dbraw/zinc/19/20/42/348192042.db2.gz OFHFIQVJXSTJMQ-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000595092420 348192925 /nfs/dbraw/zinc/19/29/25/348192925.db2.gz WWUVRRYIYSYAAX-NWDGAFQWSA-N 1 0 204.273 2.104 20 30 BEEDRO CCCN1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595097589 348194494 /nfs/dbraw/zinc/19/44/94/348194494.db2.gz YISQOGXQLONCSZ-MJBXVCDLSA-N 1 0 235.375 2.143 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000595110006 348197521 /nfs/dbraw/zinc/19/75/21/348197521.db2.gz YQDIQYVQRZNXQW-GDLCADMTSA-N 1 0 230.311 2.386 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595107620 348197819 /nfs/dbraw/zinc/19/78/19/348197819.db2.gz OUCNWEYWLSODHY-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@@H](C)CO1 ZINC000595287862 348212400 /nfs/dbraw/zinc/21/24/00/348212400.db2.gz OBOYMNSMRMGFFO-QWHCGFSZSA-N 1 0 244.338 2.210 20 30 BEEDRO CCOCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595408882 348240761 /nfs/dbraw/zinc/24/07/61/348240761.db2.gz CUHHFRSHVMKFLN-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CCC1 ZINC000595428224 348247599 /nfs/dbraw/zinc/24/75/99/348247599.db2.gz WRRANUCXBVLJPV-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO CC1(C#N)CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000595430169 348248494 /nfs/dbraw/zinc/24/84/94/348248494.db2.gz LLJLANCEPZBYIW-JTQLQIEISA-N 1 0 244.285 2.036 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CCCCC1)C(C)(C)C ZINC000491692246 362856720 /nfs/dbraw/zinc/85/67/20/362856720.db2.gz QREYQFSNQCJXMI-LLVKDONJSA-N 1 0 221.348 2.045 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595518652 348260739 /nfs/dbraw/zinc/26/07/39/348260739.db2.gz CMQVUECJSHVPLZ-CQSZACIVSA-N 1 0 244.338 2.115 20 30 BEEDRO CC1(C#N)CC[NH+](CCOCC2CCC2)CC1 ZINC000419247108 192114572 /nfs/dbraw/zinc/11/45/72/192114572.db2.gz MYUBNWMPMYUCFZ-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC#CC[N@@H+]1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000595555012 348269182 /nfs/dbraw/zinc/26/91/82/348269182.db2.gz WKOIBTDZHLATMD-YNEHKIRRSA-N 1 0 237.343 2.062 20 30 BEEDRO CC[C@H](CC#N)NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000595528790 348272687 /nfs/dbraw/zinc/27/26/87/348272687.db2.gz FLZJETIJQOGEID-MELADBBJSA-N 1 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249.402 2.366 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H](CC)C(=O)OC)C1 ZINC000595659529 348298619 /nfs/dbraw/zinc/29/86/19/348298619.db2.gz NXKDWVQDLXXSPS-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](CC)C(=O)OC)C1 ZINC000595659528 348298920 /nfs/dbraw/zinc/29/89/20/348298920.db2.gz NXKDWVQDLXXSPS-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO CC[C@H]([NH2+]CCOCCC#N)[C@H]1CC1(C)C ZINC000419318874 192121138 /nfs/dbraw/zinc/12/11/38/192121138.db2.gz VDTAVISAAKOTOD-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)c1cscn1 ZINC000595667582 348301869 /nfs/dbraw/zinc/30/18/69/348301869.db2.gz HKQQLPVYZKHKRI-SECBINFHSA-N 1 0 241.385 2.441 20 30 BEEDRO CC[C@@H]([NH2+]CCOCCC#N)[C@@H]1CC1(C)C ZINC000419318882 192121571 /nfs/dbraw/zinc/12/15/71/192121571.db2.gz VDTAVISAAKOTOD-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO CO[C@@H](C)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595641003 348304204 /nfs/dbraw/zinc/30/42/04/348304204.db2.gz WFJTUGYMJISXOG-NSHDSACASA-N 1 0 232.327 2.418 20 30 BEEDRO COCCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595640675 348304259 /nfs/dbraw/zinc/30/42/59/348304259.db2.gz UWFYCUMCGIEVOQ-UHFFFAOYSA-N 1 0 232.327 2.419 20 30 BEEDRO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1CCO ZINC000595694753 348305278 /nfs/dbraw/zinc/30/52/78/348305278.db2.gz FNQFZXOZHHSKSF-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO N#Cc1cccc(OCC[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000595806005 348348188 /nfs/dbraw/zinc/34/81/88/348348188.db2.gz CXFJBXDSOBBMLH-ZIAGYGMSSA-N 1 0 242.322 2.279 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595809073 348349595 /nfs/dbraw/zinc/34/95/95/348349595.db2.gz GAXNQLMPCXTEIS-ZIAGYGMSSA-N 1 0 212.296 2.400 20 30 BEEDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC000595756326 348329966 /nfs/dbraw/zinc/32/99/66/348329966.db2.gz TTZWPPMVQWECTO-GJZGRUSLSA-N 1 0 242.322 2.027 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759476 348331988 /nfs/dbraw/zinc/33/19/88/348331988.db2.gz URMIMLXBMXZRBG-TUKIKUTGSA-N 1 0 242.322 2.076 20 30 BEEDRO CC[C@@H]([NH2+]CCCSCC#N)C1CC1 ZINC000595766664 348334698 /nfs/dbraw/zinc/33/46/98/348334698.db2.gz YPKSTRGEUPVVEP-LLVKDONJSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCC1([NH2+]CCC(=O)OCC)CCCC1 ZINC000595780228 348339215 /nfs/dbraw/zinc/33/92/15/348339215.db2.gz LVLWFQXLILXJAU-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595780312 348339360 /nfs/dbraw/zinc/33/93/60/348339360.db2.gz HZDADOPJTRFKKU-UTUOFQBUSA-N 1 0 210.321 2.178 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000595751361 348341004 /nfs/dbraw/zinc/34/10/04/348341004.db2.gz VFCIGMYZWOKIQX-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595812667 348352470 /nfs/dbraw/zinc/35/24/70/348352470.db2.gz YJYPJPOWSHDTHR-CHWSQXEVSA-N 1 0 242.322 2.409 20 30 BEEDRO COCCCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839637 348373520 /nfs/dbraw/zinc/37/35/20/348373520.db2.gz KNQHGRNIPFNVMH-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO Cc1nccn1CCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595843498 348380809 /nfs/dbraw/zinc/38/08/09/348380809.db2.gz KRBKYDWOKZXMAE-AWEZNQCLSA-N 1 0 246.358 2.207 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@]1(C)CO ZINC000595871207 348385472 /nfs/dbraw/zinc/38/54/72/348385472.db2.gz IUDUNCSOMRVSFR-SWLSCSKDSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC000595844971 348354397 /nfs/dbraw/zinc/35/43/97/348354397.db2.gz WRCRIAJPBZUHNO-KGLIPLIRSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCC#N ZINC000595845376 348355049 /nfs/dbraw/zinc/35/50/49/348355049.db2.gz MUEPEPUTSYXCPV-BETUJISGSA-N 1 0 220.316 2.100 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@]1(C)CO ZINC000595875491 348387220 /nfs/dbraw/zinc/38/72/20/348387220.db2.gz QAPPVZJSLJKGHF-IUODEOHRSA-N 1 0 244.338 2.009 20 30 BEEDRO CCCN(C)CC(C)(C)[NH2+]CCCC#N ZINC000595874810 348387298 /nfs/dbraw/zinc/38/72/98/348387298.db2.gz ZUQFTXOFRNQZJH-UHFFFAOYSA-N 1 0 211.353 2.000 20 30 BEEDRO CCN(CCCC(=O)OC(C)(C)C)[C@H](C)C#N ZINC000595820097 348361345 /nfs/dbraw/zinc/36/13/45/348361345.db2.gz JIADZIAHSJRJAK-LLVKDONJSA-N 1 0 240.347 2.342 20 30 BEEDRO C[N@@H+](Cc1ccncc1C#N)C[C@@H]1CC1(C)C ZINC000595907609 348397127 /nfs/dbraw/zinc/39/71/27/348397127.db2.gz BWFSKWUQQPSRLY-ZDUSSCGKSA-N 1 0 229.327 2.431 20 30 BEEDRO COCC1([NH2+]CCCC#N)CCCCC1 ZINC000595910542 348398315 /nfs/dbraw/zinc/39/83/15/348398315.db2.gz JOTYTTIAKXRHJK-UHFFFAOYSA-N 1 0 210.321 2.229 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000303550452 490165875 /nfs/dbraw/zinc/16/58/75/490165875.db2.gz JNKLELUYOYIGMT-UHFFFAOYSA-N 1 0 227.254 2.257 20 30 BEEDRO CC#CCC[NH+]1CCC(OC)(C(F)(F)F)CC1 ZINC000419351149 192126126 /nfs/dbraw/zinc/12/61/26/192126126.db2.gz OOWBSOBQSHUSTJ-UHFFFAOYSA-N 1 0 249.276 2.443 20 30 BEEDRO CO[C@H](C[NH2+][C@@H](C)CC#N)C1CCCC1 ZINC000596047309 348428831 /nfs/dbraw/zinc/42/88/31/348428831.db2.gz PBTRDGMFMAMWRK-CMPLNLGQSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H]([NH2+]CCOCCF)c1cccc(C#N)c1 ZINC000596050547 348432584 /nfs/dbraw/zinc/43/25/84/348432584.db2.gz KUHJJDQWQWMNFQ-NSHDSACASA-N 1 0 236.290 2.195 20 30 BEEDRO CCn1nccc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000596063157 348436261 /nfs/dbraw/zinc/43/62/61/348436261.db2.gz YWQWTQHBQMAMPG-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1nc(C#N)ccc1C ZINC000596103824 348440092 /nfs/dbraw/zinc/44/00/92/348440092.db2.gz GOGIHVUZWRZUOQ-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO CCn1nccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000596096010 348444916 /nfs/dbraw/zinc/44/49/16/348444916.db2.gz TWPFWMVOICRFNN-NWDGAFQWSA-N 1 0 232.331 2.075 20 30 BEEDRO CCn1nccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000596096012 348445066 /nfs/dbraw/zinc/44/50/66/348445066.db2.gz TWPFWMVOICRFNN-VXGBXAGGSA-N 1 0 232.331 2.075 20 30 BEEDRO Cc1ccnc(N[C@@H](C)CC[NH+](C)C)c1C#N ZINC000135069098 179455399 /nfs/dbraw/zinc/45/53/99/179455399.db2.gz ROTXROMGUZZXIT-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC[C@H](C)[NH+](C)C)n1 ZINC000596423780 348528668 /nfs/dbraw/zinc/52/86/68/348528668.db2.gz BRNOTFSZWHUNSI-LBPRGKRZSA-N 1 0 246.358 2.322 20 30 BEEDRO C[C@H]1CC[NH2+]CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000596654248 348607643 /nfs/dbraw/zinc/60/76/43/348607643.db2.gz ZGYOFKUGSJUBKK-KBPBESRZSA-N 1 0 249.402 2.438 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000596488938 348559927 /nfs/dbraw/zinc/55/99/27/348559927.db2.gz AQAPGBFQVPSBEG-YRGRVCCFSA-N 1 0 232.327 2.043 20 30 BEEDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000597084316 348655325 /nfs/dbraw/zinc/65/53/25/348655325.db2.gz XYDPHAGANFJGTB-GHMZBOCLSA-N 1 0 240.347 2.104 20 30 BEEDRO C[C@H](CSCCF)[NH2+]CC(C)(C)C#N ZINC000597081494 348657953 /nfs/dbraw/zinc/65/79/53/348657953.db2.gz BALTUAJFLLARRI-SECBINFHSA-N 1 0 218.341 2.217 20 30 BEEDRO C[N@H+](CCCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597130920 348659977 /nfs/dbraw/zinc/65/99/77/348659977.db2.gz JPFLTIDDTHSLNV-UHFFFAOYSA-N 1 0 244.338 2.056 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597151635 348665565 /nfs/dbraw/zinc/66/55/65/348665565.db2.gz QRDHXNJBSFZKAW-RYUDHWBXSA-N 1 0 222.332 2.083 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CCCC1 ZINC000597159299 348666593 /nfs/dbraw/zinc/66/65/93/348666593.db2.gz XPGLDUCDYKXUMA-OLZOCXBDSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000122965235 490185668 /nfs/dbraw/zinc/18/56/68/490185668.db2.gz DUQQAQACOAGOJN-XNWIYYODSA-N 1 0 237.265 2.387 20 30 BEEDRO C=CCCCC(=O)NC(C)(C)c1nc(C)c[nH]1 ZINC000563892730 323194663 /nfs/dbraw/zinc/19/46/63/323194663.db2.gz LQPRQWOJOHVJGB-UHFFFAOYSA-N 1 0 235.331 2.426 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000597183019 348682447 /nfs/dbraw/zinc/68/24/47/348682447.db2.gz FAKZCMBSRDDBDT-UHFFFAOYSA-N 1 0 223.272 2.040 20 30 BEEDRO COC[C@@H](C)C[NH2+]CC1(C#N)CCCCC1 ZINC000597227014 348696022 /nfs/dbraw/zinc/69/60/22/348696022.db2.gz ZRGVNLGWHFATSJ-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@@]1(C#N)CCN(Cc2cccc3c2OCO3)C1 ZINC000597230413 348698603 /nfs/dbraw/zinc/69/86/03/348698603.db2.gz RWVWJRBTTSOBKK-AWEZNQCLSA-N 1 0 244.294 2.151 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2cccc3nccn32)C1 ZINC000597230828 348698795 /nfs/dbraw/zinc/69/87/95/348698795.db2.gz IYECVGMSELJKJA-CQSZACIVSA-N 1 0 240.310 2.070 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(OCC)c1 ZINC000184279539 348780867 /nfs/dbraw/zinc/78/08/67/348780867.db2.gz OCXYILNUBLUHAE-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000184280217 348791503 /nfs/dbraw/zinc/79/15/03/348791503.db2.gz DIPZMVXJOQNVQW-XYYIANASSA-N 1 0 217.312 2.226 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C)cc1C ZINC000184280925 348794889 /nfs/dbraw/zinc/79/48/89/348794889.db2.gz LLGQZJADBNLGEC-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO N#Cc1cccc(C#N)c1NC1CCC([NH3+])CC1 ZINC000420167332 192166776 /nfs/dbraw/zinc/16/67/76/192166776.db2.gz PKCDBVPAPDZKDL-UHFFFAOYSA-N 1 0 240.310 2.112 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(C)(C)C ZINC000598621722 349002642 /nfs/dbraw/zinc/00/26/42/349002642.db2.gz BYRJXQKMXYTVMW-MNOVXSKESA-N 1 0 226.364 2.311 20 30 BEEDRO CCCC[N@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598584864 348994531 /nfs/dbraw/zinc/99/45/31/348994531.db2.gz YKOYVUJFTKGIBX-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585938 348994842 /nfs/dbraw/zinc/99/48/42/348994842.db2.gz BVXWMVLXUNFZIF-PWSUYJOCSA-N 1 0 224.348 2.017 20 30 BEEDRO CC(C)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598585687 348995021 /nfs/dbraw/zinc/99/50/21/348995021.db2.gz JADNKYVKRJEAKJ-LBPRGKRZSA-N 1 0 224.348 2.160 20 30 BEEDRO CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598587743 348995499 /nfs/dbraw/zinc/99/54/99/348995499.db2.gz UXFBLHWNWZGXLE-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588025 348995847 /nfs/dbraw/zinc/99/58/47/348995847.db2.gz XTGNHOLHKFIYOM-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598588439 348996012 /nfs/dbraw/zinc/99/60/12/348996012.db2.gz LZNIJSRLAZGTDR-VXGBXAGGSA-N 1 0 226.364 2.265 20 30 BEEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)CC1CCCC1 ZINC000598590214 348996355 /nfs/dbraw/zinc/99/63/55/348996355.db2.gz MLTBKTNNOAETIP-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598590435 348997317 /nfs/dbraw/zinc/99/73/17/348997317.db2.gz YOEGXYQIFXALLS-CYBMUJFWSA-N 1 0 236.359 2.185 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598590436 348997624 /nfs/dbraw/zinc/99/76/24/348997624.db2.gz YOEGXYQIFXALLS-ZDUSSCGKSA-N 1 0 236.359 2.185 20 30 BEEDRO CC(C)(C#N)C[C@H](O)CN(CC#N)C1CCCC1 ZINC000598591910 348997768 /nfs/dbraw/zinc/99/77/68/348997768.db2.gz FLJOKQZHGDOLJN-ZDUSSCGKSA-N 1 0 249.358 2.055 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598593881 348998270 /nfs/dbraw/zinc/99/82/70/348998270.db2.gz XXAJZRRNBSGEGQ-QWHCGFSZSA-N 1 0 238.375 2.265 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598593645 348998760 /nfs/dbraw/zinc/99/87/60/348998760.db2.gz VOURJMIYRTWHHH-GRYCIOLGSA-N 1 0 224.348 2.017 20 30 BEEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC(C)(C)C1 ZINC000598621850 349003028 /nfs/dbraw/zinc/00/30/28/349003028.db2.gz ONWAIGDHWGBHDS-GFCCVEGCSA-N 1 0 238.375 2.408 20 30 BEEDRO CC[C@H](C)[N@H+](CC)C[C@H](O)CC(C)(C)C#N ZINC000598625440 349003594 /nfs/dbraw/zinc/00/35/94/349003594.db2.gz QCDGDYOYKMKEOH-NWDGAFQWSA-N 1 0 226.364 2.408 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1C ZINC000598623546 349003802 /nfs/dbraw/zinc/00/38/02/349003802.db2.gz XWQQOYNJNBYRLN-FVCCEPFGSA-N 1 0 238.375 2.263 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000598604875 349006967 /nfs/dbraw/zinc/00/69/67/349006967.db2.gz AYXXCNCAZKRQEV-RWMBFGLXSA-N 1 0 236.359 2.162 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000598604873 349007292 /nfs/dbraw/zinc/00/72/92/349007292.db2.gz AYXXCNCAZKRQEV-AVGNSLFASA-N 1 0 236.359 2.162 20 30 BEEDRO CC1CC(C[NH2+]Cc2nc(C#N)cs2)C1 ZINC000598647208 349010164 /nfs/dbraw/zinc/01/01/64/349010164.db2.gz GIUNKGOBCMANIX-UHFFFAOYSA-N 1 0 221.329 2.150 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC1CC1 ZINC000598704099 349022442 /nfs/dbraw/zinc/02/24/42/349022442.db2.gz DKXMLBWDUXFSIG-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000598706240 349022986 /nfs/dbraw/zinc/02/29/86/349022986.db2.gz PRVYZGZTUHLHKQ-ZDUSSCGKSA-N 1 0 236.359 2.019 20 30 BEEDRO CCCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598704801 349023414 /nfs/dbraw/zinc/02/34/14/349023414.db2.gz UIAANSVIIAYMLZ-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO CC[C@H](CSC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598723654 349028802 /nfs/dbraw/zinc/02/88/02/349028802.db2.gz JIZFGBGTAYHCRQ-GHMZBOCLSA-N 1 0 244.404 2.018 20 30 BEEDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725088 349029173 /nfs/dbraw/zinc/02/91/73/349029173.db2.gz VANYAYWVSFHUDP-AGIUHOORSA-N 1 0 238.375 2.313 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1=CCCCC1 ZINC000598728468 349030539 /nfs/dbraw/zinc/03/05/39/349030539.db2.gz SCPKOOKDWWDEJE-CYBMUJFWSA-N 1 0 236.359 2.377 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729027 349031512 /nfs/dbraw/zinc/03/15/12/349031512.db2.gz YMYCTLBYGNMYFN-LBPRGKRZSA-N 1 0 238.375 2.479 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCC1CCCC1 ZINC000598700726 349034255 /nfs/dbraw/zinc/03/42/55/349034255.db2.gz POFHBYYXCMAEGE-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CCCC[NH2+]Cc1ccncc1Cl ZINC000598971935 349069166 /nfs/dbraw/zinc/06/91/66/349069166.db2.gz JEPCQUPSHWLMIT-UHFFFAOYSA-N 1 0 209.680 2.128 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CO1 ZINC000401992929 349074782 /nfs/dbraw/zinc/07/47/82/349074782.db2.gz LNLFYHKBSKTDRA-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599008845 349075237 /nfs/dbraw/zinc/07/52/37/349075237.db2.gz JBZJRSODWGAYGG-WCQYABFASA-N 1 0 248.351 2.277 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000599014767 349082085 /nfs/dbraw/zinc/08/20/85/349082085.db2.gz FDPIYZCCDXBLSN-XYPYZODXSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628302319 349092942 /nfs/dbraw/zinc/09/29/42/349092942.db2.gz YUZFOZZPPPOZBA-KOLCDFICSA-N 1 0 233.302 2.337 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CC1COC1 ZINC000599083616 349096469 /nfs/dbraw/zinc/09/64/69/349096469.db2.gz TYPSDUXLBOFMEW-OAHLLOKOSA-N 1 0 242.322 2.172 20 30 BEEDRO CCC[N@H+](CCO)Cc1ccc(C)c(C#N)c1 ZINC000599262598 349134486 /nfs/dbraw/zinc/13/44/86/349134486.db2.gz JRHGICRVZFDMLD-UHFFFAOYSA-N 1 0 232.327 2.071 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599284301 349146350 /nfs/dbraw/zinc/14/63/50/349146350.db2.gz QCQWNMXTPRNYGG-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO CCO[C@H](C[N@H+](C)CC(C)(C)C#N)C1CC1 ZINC000599427373 349185417 /nfs/dbraw/zinc/18/54/17/349185417.db2.gz ODMJDLXTXLBUBL-GFCCVEGCSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCC[C@@H]([NH2+]C1CCN(OC)CC1)C1CC1 ZINC000421871418 192398113 /nfs/dbraw/zinc/39/81/13/192398113.db2.gz FXWHQVFELARTKQ-CQSZACIVSA-N 1 0 238.375 2.347 20 30 BEEDRO Cc1ccc(C[N@H+]2CCC[C@@H]2[C@@H](C)O)cc1C#N ZINC000599468159 349192440 /nfs/dbraw/zinc/19/24/40/349192440.db2.gz JWDAFTVOMQGXBU-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1ccc(C[N@@H+](C(C)C)C2COC2)cc1C#N ZINC000599430968 349188756 /nfs/dbraw/zinc/18/87/56/349188756.db2.gz HYCDHTQEERYACP-UHFFFAOYSA-N 1 0 244.338 2.476 20 30 BEEDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599461809 349190721 /nfs/dbraw/zinc/19/07/21/349190721.db2.gz KUXUYPWMBRVRPD-NWDGAFQWSA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1ccc(C[NH2+]C2(CO)CCCC2)cc1C#N ZINC000599330487 349156588 /nfs/dbraw/zinc/15/65/88/349156588.db2.gz AOHHHEWTVGXHHV-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599359179 349159448 /nfs/dbraw/zinc/15/94/48/349159448.db2.gz POHZHDFQUHEDGF-JHJVBQTASA-N 1 0 236.359 2.209 20 30 BEEDRO CCO[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000599361516 349160047 /nfs/dbraw/zinc/16/00/47/349160047.db2.gz IQSUVOQXFIVTOC-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1C#N ZINC000599360699 349160100 /nfs/dbraw/zinc/16/01/00/349160100.db2.gz ASEGDHRJTYVOPH-OCCSQVGLSA-N 1 0 244.338 2.381 20 30 BEEDRO CCO[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000599361515 349160104 /nfs/dbraw/zinc/16/01/04/349160104.db2.gz IQSUVOQXFIVTOC-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1C#N ZINC000599365309 349160927 /nfs/dbraw/zinc/16/09/27/349160927.db2.gz YPSZUXIPTPTEGO-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO CC1(C)CCC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599378964 349163382 /nfs/dbraw/zinc/16/33/82/349163382.db2.gz VAQYVHZMHARXMW-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599379093 349163475 /nfs/dbraw/zinc/16/34/75/349163475.db2.gz QDHUNTWLIKTYPN-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO CC(C)C([NH2+]C[C@H](O)CC1(C#N)CC1)C(C)C ZINC000599352645 349164751 /nfs/dbraw/zinc/16/47/51/349164751.db2.gz FIDLDBTVBGPZMN-GFCCVEGCSA-N 1 0 238.375 2.311 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000599432993 349173372 /nfs/dbraw/zinc/17/33/72/349173372.db2.gz KLEIWTQOKZMFDQ-CABCVRRESA-N 1 0 242.322 2.300 20 30 BEEDRO C=CCCN1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000250519015 349174915 /nfs/dbraw/zinc/17/49/15/349174915.db2.gz JVSNEWOIQGOUIK-OLZOCXBDSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000599528443 349208421 /nfs/dbraw/zinc/20/84/21/349208421.db2.gz DNZGRTXTKAUOSG-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1F)CC1(C)COC1 ZINC000599573425 349224210 /nfs/dbraw/zinc/22/42/10/349224210.db2.gz HOBBJFGUJHGACV-UHFFFAOYSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000599649582 349233632 /nfs/dbraw/zinc/23/36/32/349233632.db2.gz BOWANMZSOWBICC-FRRDWIJNSA-N 1 0 237.343 2.226 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC3(COC3)C2)cc1C#N ZINC000599475590 349195896 /nfs/dbraw/zinc/19/58/96/349195896.db2.gz TZZODPLLMBHADQ-UHFFFAOYSA-N 1 0 242.322 2.089 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC23CCCC3)CC1 ZINC000599452693 349198657 /nfs/dbraw/zinc/19/86/57/349198657.db2.gz WDYHLNXIFNYASK-GFCCVEGCSA-N 1 0 234.343 2.060 20 30 BEEDRO N#CCCOCC[N@@H+]1CCCC2(CC2)CC1 ZINC000599673518 349241621 /nfs/dbraw/zinc/24/16/21/349241621.db2.gz RYEWHLFHLONZLB-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc(C#N)c1 ZINC000402046212 349266659 /nfs/dbraw/zinc/26/66/59/349266659.db2.gz NJRIQFRQFRLAFF-GYSYKLTISA-N 1 0 230.311 2.386 20 30 BEEDRO C=C(C)C[NH2+][C@H](COC)c1ccc(C)o1 ZINC000184679653 349279293 /nfs/dbraw/zinc/27/92/93/349279293.db2.gz DVOUKWOLWFTJFE-LLVKDONJSA-N 1 0 209.289 2.441 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000185575471 349356012 /nfs/dbraw/zinc/35/60/12/349356012.db2.gz KAHNXSRTYQHNRR-TZMCWYRMSA-N 1 0 249.354 2.240 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601972841 349409237 /nfs/dbraw/zinc/40/92/37/349409237.db2.gz GSQUDUPVSNNPOI-JTQLQIEISA-N 1 0 246.301 2.282 20 30 BEEDRO CC1(C)C[N@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1C1CC1 ZINC000601958917 349400824 /nfs/dbraw/zinc/40/08/24/349400824.db2.gz PDZMQBDNKARZFL-OLZOCXBDSA-N 1 0 248.370 2.162 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601973204 349409418 /nfs/dbraw/zinc/40/94/18/349409418.db2.gz LUIKNGDCJSCTHF-BETUJISGSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H]1OCC)C1CC1 ZINC000309046091 349402355 /nfs/dbraw/zinc/40/23/55/349402355.db2.gz ORTRYHPSNZPMNF-AVGNSLFASA-N 1 0 209.333 2.498 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000292853270 538039743 /nfs/dbraw/zinc/03/97/43/538039743.db2.gz GGMPXYJGZJGOSK-AWEZNQCLSA-N 1 0 244.338 2.154 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185900548 349379677 /nfs/dbraw/zinc/37/96/77/349379677.db2.gz PCJJVCWALXSBOW-TUAOUCFPSA-N 1 0 205.305 2.351 20 30 BEEDRO CCC(C#N)(CC)c1nc(C2([NH3+])CCCC2)no1 ZINC000601924834 349382488 /nfs/dbraw/zinc/38/24/88/349382488.db2.gz GUSIDRNBBHAVAN-UHFFFAOYSA-N 1 0 248.330 2.379 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1scnc1C ZINC000131387654 191011011 /nfs/dbraw/zinc/01/10/11/191011011.db2.gz CIPRIEYZRJBXII-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO Cc1nc(NC[C@@H](C)[N@H+](C)C2CC2)ccc1C#N ZINC000292041085 180018885 /nfs/dbraw/zinc/01/88/85/180018885.db2.gz VFUOOXCUWXXVGH-SNVBAGLBSA-N 1 0 244.342 2.156 20 30 BEEDRO COc1ccc(C[NH2+]CCC2CC2)cc1C#N ZINC000088455215 191018207 /nfs/dbraw/zinc/01/82/07/191018207.db2.gz GMWQGIQRJPBBCM-UHFFFAOYSA-N 1 0 230.311 2.457 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CC(=O)NC ZINC000132009027 191022377 /nfs/dbraw/zinc/02/23/77/191022377.db2.gz HFAZHXAIBBMTMY-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1nccn1C ZINC000132260141 191028590 /nfs/dbraw/zinc/02/85/90/191028590.db2.gz JNACKPISEKQKCO-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCCN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000392884644 350153127 /nfs/dbraw/zinc/15/31/27/350153127.db2.gz KNUQTXFQUNOWDE-LBPRGKRZSA-N 1 0 216.328 2.200 20 30 BEEDRO C=C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427052406 191053010 /nfs/dbraw/zinc/05/30/10/191053010.db2.gz GBBQHBPZAFQYGS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449624192 201987978 /nfs/dbraw/zinc/98/79/78/201987978.db2.gz NDMPQYGTEIUAMQ-WOPDTQHZSA-N 1 0 222.332 2.083 20 30 BEEDRO Cc1ncccc1C[NH+]1CCC(C#N)CC1 ZINC000123764739 180219142 /nfs/dbraw/zinc/21/91/42/180219142.db2.gz KDJUZHBETCOATO-UHFFFAOYSA-N 1 0 215.300 2.126 20 30 BEEDRO C=CCCCCCN1CC(F)(F)C[C@H]1CO ZINC000365355513 350250012 /nfs/dbraw/zinc/25/00/12/350250012.db2.gz BFILNLLZYNUSLO-NSHDSACASA-N 1 0 233.302 2.435 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000605150569 350261631 /nfs/dbraw/zinc/26/16/31/350261631.db2.gz ADWQNAGWWBEVDJ-ZDUSSCGKSA-N 1 0 219.332 2.486 20 30 BEEDRO CC(C)(C#N)CCC[NH2+]C1(CO)CCCC1 ZINC000083641037 350265124 /nfs/dbraw/zinc/26/51/24/350265124.db2.gz PONTZRPMMXRQPI-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)C1CCCCC1 ZINC000309101820 323317548 /nfs/dbraw/zinc/31/75/48/323317548.db2.gz GETFVHJGPLIBFY-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCCC#N)C1(CO)CCC1 ZINC000339737654 535121898 /nfs/dbraw/zinc/12/18/98/535121898.db2.gz MECRKGQHABYOHE-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000227771180 191093345 /nfs/dbraw/zinc/09/33/45/191093345.db2.gz DTGNARQNUXNIMY-OUAUKWLOSA-N 1 0 244.766 2.116 20 30 BEEDRO Cc1cc(C)n(CC[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000397844646 350365681 /nfs/dbraw/zinc/36/56/81/350365681.db2.gz YZDYQIYZHKCGGR-CQSZACIVSA-N 1 0 246.358 2.126 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261822614 535124697 /nfs/dbraw/zinc/12/46/97/535124697.db2.gz NQEIGIRUOOVECR-VIFPVBQESA-N 1 0 233.306 2.125 20 30 BEEDRO CC[NH+](CC)CCCN1CCC[C@@](C)(C#N)C1 ZINC000617219557 350390206 /nfs/dbraw/zinc/39/02/06/350390206.db2.gz WEHXZUDQVLNXPO-AWEZNQCLSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2c1OCO2 ZINC000154771966 166324764 /nfs/dbraw/zinc/32/47/64/166324764.db2.gz FEFUQTYFULQDGC-UHFFFAOYSA-N 1 0 205.257 2.033 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](CCCSCC#N)C1 ZINC000336675834 350437619 /nfs/dbraw/zinc/43/76/19/350437619.db2.gz VXEYSGXJNBUCHN-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](CCCSCC#N)C1 ZINC000336661261 350429202 /nfs/dbraw/zinc/42/92/02/350429202.db2.gz GLJCSLYYDIFBCC-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO CC(C)[C@H]1CN(C)CC[N@@H+]1CCC(C)(C)C#N ZINC000336705067 350455857 /nfs/dbraw/zinc/45/58/57/350455857.db2.gz DJHGGUDJVAYFPM-CYBMUJFWSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@H](C#N)CN(CCOCC1CC1)C1CC1 ZINC000336702340 350458357 /nfs/dbraw/zinc/45/83/57/350458357.db2.gz NKKITDKXVNVQMK-LLVKDONJSA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000336709075 350461650 /nfs/dbraw/zinc/46/16/50/350461650.db2.gz PRTHWRWSWKXPCR-QWHCGFSZSA-N 1 0 236.359 2.285 20 30 BEEDRO CC(C)[NH+]1CCC([N@H+](C)CCCCC#N)CC1 ZINC000336711447 350463461 /nfs/dbraw/zinc/46/34/61/350463461.db2.gz MLJIXGJUPCZUNT-UHFFFAOYSA-N 1 0 237.391 2.485 20 30 BEEDRO CO[C@@H](C)C[N@H+](CCCSCC#N)C(C)C ZINC000336680449 350440579 /nfs/dbraw/zinc/44/05/79/350440579.db2.gz QHDCEFXOWAZYMS-LBPRGKRZSA-N 1 0 244.404 2.379 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2cccnc2)CC1 ZINC000227351567 350493338 /nfs/dbraw/zinc/49/33/38/350493338.db2.gz UUAYLICIYAVBEG-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000227352932 350493845 /nfs/dbraw/zinc/49/38/45/350493845.db2.gz KJSDHUOHAAMHEF-AWEZNQCLSA-N 1 0 244.338 2.346 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000227352925 350494343 /nfs/dbraw/zinc/49/43/43/350494343.db2.gz KJSDHUOHAAMHEF-CQSZACIVSA-N 1 0 244.338 2.346 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623541884 362961155 /nfs/dbraw/zinc/96/11/55/362961155.db2.gz BRFPBGQLAYZCTO-ZZVYKPCYSA-N 1 0 223.360 2.338 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000163118636 350505750 /nfs/dbraw/zinc/50/57/50/350505750.db2.gz NZZUZYMLSZKQCN-OLZOCXBDSA-N 1 0 224.348 2.306 20 30 BEEDRO CC(C)(C)[C@H]1C[N@H+](CCCC#N)CCO1 ZINC000577503619 365971967 /nfs/dbraw/zinc/97/19/67/365971967.db2.gz MLYLTSVRJLLKPF-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCCN(C)C1=O ZINC000577491521 365967134 /nfs/dbraw/zinc/96/71/34/365967134.db2.gz OCPGPXWNRUNFOX-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1cc(C[NH2+]CCC[C@H](C)CO)ccc1C#N ZINC000443987715 191111301 /nfs/dbraw/zinc/11/13/01/191111301.db2.gz KBBDBDIUEOHDEL-LBPRGKRZSA-N 1 0 246.354 2.365 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CO)C2CCCCC2)CC1 ZINC000386331235 362969656 /nfs/dbraw/zinc/96/96/56/362969656.db2.gz KAECZORCEPQSHV-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000320219871 350600182 /nfs/dbraw/zinc/60/01/82/350600182.db2.gz GUGLXXLSVIBDMQ-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C(CC)CC)CC1 ZINC000606896276 350621825 /nfs/dbraw/zinc/62/18/25/350621825.db2.gz GHJLUPMUZUSASE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1nccn1C ZINC000385061528 350758341 /nfs/dbraw/zinc/75/83/41/350758341.db2.gz UMPMHZFUYZYVQC-JTQLQIEISA-N 1 0 207.321 2.283 20 30 BEEDRO C=CCOCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000339109950 350734141 /nfs/dbraw/zinc/73/41/41/350734141.db2.gz BNYDENNXFYILCT-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)CC1(COC)CCC1 ZINC000336671822 350868175 /nfs/dbraw/zinc/86/81/75/350868175.db2.gz NSYNPGNALZATBZ-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)SCC[NH+]1CCC(C#N)CC1 ZINC000336682403 350907899 /nfs/dbraw/zinc/90/78/99/350907899.db2.gz IBHHNHSXBRMLDW-UHFFFAOYSA-N 1 0 212.362 2.364 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000397581521 350930644 /nfs/dbraw/zinc/93/06/44/350930644.db2.gz FXSRWFUUPICKHE-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[NH2+]CCSCc1cccc(C#N)c1 ZINC000382638514 350935191 /nfs/dbraw/zinc/93/51/91/350935191.db2.gz ATFXUQWDGQLTIR-UHFFFAOYSA-N 1 0 206.314 2.011 20 30 BEEDRO Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000397844644 350982322 /nfs/dbraw/zinc/98/23/22/350982322.db2.gz YZDYQIYZHKCGGR-AWEZNQCLSA-N 1 0 246.358 2.126 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000289927030 350994792 /nfs/dbraw/zinc/99/47/92/350994792.db2.gz VHFDZSHMLIDMGM-CABZTGNLSA-N 1 0 209.264 2.023 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000129149204 350998366 /nfs/dbraw/zinc/99/83/66/350998366.db2.gz VKLGJZDXTOCZCP-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397640731 350956542 /nfs/dbraw/zinc/95/65/42/350956542.db2.gz XQWSNEUVHLRDSL-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO COc1cc([C@@H](C)[NH2+]CCCC#N)ccn1 ZINC000336701025 351043719 /nfs/dbraw/zinc/04/37/19/351043719.db2.gz NUCMVSPBHFFUOV-SNVBAGLBSA-N 1 0 219.288 2.045 20 30 BEEDRO CS[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000382858647 351057899 /nfs/dbraw/zinc/05/78/99/351057899.db2.gz AMFFGYWISTXQCG-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO CS[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000382858644 351058077 /nfs/dbraw/zinc/05/80/77/351058077.db2.gz AMFFGYWISTXQCG-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO C=CC1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000111257186 191130368 /nfs/dbraw/zinc/13/03/68/191130368.db2.gz XXVZGUASICJHNV-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1ncnn1CC ZINC000398103612 363008801 /nfs/dbraw/zinc/00/88/01/363008801.db2.gz UOTKKGDPUKVKQD-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000623584310 363018607 /nfs/dbraw/zinc/01/86/07/363018607.db2.gz ZVSIPQKGEJXKSK-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO C[C@H]([NH3+])C(=O)Nc1cccc2cccnc21 ZINC000034827756 351293478 /nfs/dbraw/zinc/29/34/78/351293478.db2.gz ZSXAWWHQDYRCKP-QMMMGPOBSA-N 1 0 215.256 2.170 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC000628352250 351315667 /nfs/dbraw/zinc/31/56/67/351315667.db2.gz BWHRSWVKJBJJAC-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631634668 351321773 /nfs/dbraw/zinc/32/17/73/351321773.db2.gz ZRVMFHXBPRQYOH-IUODEOHRSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)C(C)(C)C ZINC000336724783 351388612 /nfs/dbraw/zinc/38/86/12/351388612.db2.gz FSQJVXDKSZFNDY-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353402144 351395227 /nfs/dbraw/zinc/39/52/27/351395227.db2.gz JUTNLMUVXXMDOD-NEPJUHHUSA-N 1 0 242.326 2.492 20 30 BEEDRO C=CC[NH+](CC=C)CCCn1ccnc1C ZINC000269129798 166335261 /nfs/dbraw/zinc/33/52/61/166335261.db2.gz JGRHZYJEWZMDPE-UHFFFAOYSA-N 1 0 219.332 2.256 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000231930153 351464713 /nfs/dbraw/zinc/46/47/13/351464713.db2.gz NPPIDUQJBVIIKR-VHSXEESVSA-N 1 0 217.403 2.389 20 30 BEEDRO N#Cc1c(F)cccc1OCC[C@@H]1CC[NH2+]C1 ZINC000122546831 363045295 /nfs/dbraw/zinc/04/52/95/363045295.db2.gz SBRQIFBPYQIOEI-JTQLQIEISA-N 1 0 234.274 2.076 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCSC2)CCCC1 ZINC000405107570 363046130 /nfs/dbraw/zinc/04/61/30/363046130.db2.gz QPQDUHBJYGFWHY-JTQLQIEISA-N 1 0 210.346 2.165 20 30 BEEDRO C=CCCCCCNC(=O)C1(C[NH3+])CCCC1 ZINC000577625387 366024019 /nfs/dbraw/zinc/02/40/19/366024019.db2.gz HNFVHNXLJGTDRI-UHFFFAOYSA-N 1 0 238.375 2.368 20 30 BEEDRO CC(C)N(C)c1ccc(C[NH2+]CCCC#N)cn1 ZINC000276666253 351642014 /nfs/dbraw/zinc/64/20/14/351642014.db2.gz XLEBWHFORARTEG-UHFFFAOYSA-N 1 0 246.358 2.320 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CCc1ccccn1 ZINC000276525958 351629124 /nfs/dbraw/zinc/62/91/24/351629124.db2.gz GYFPJZCQADGWRO-GFCCVEGCSA-N 1 0 217.316 2.248 20 30 BEEDRO C#C[C@H](NCc1cscn1)C(C)(C)C ZINC000290226126 363086100 /nfs/dbraw/zinc/08/61/00/363086100.db2.gz SHQVYRCBKYKBDI-JTQLQIEISA-N 1 0 208.330 2.281 20 30 BEEDRO C=CCCCC(=O)N(CC[NH+](C)C)CC(C)C ZINC000177826959 366060363 /nfs/dbraw/zinc/06/03/63/366060363.db2.gz OBRQOIITZAPFIJ-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC000278695287 351777164 /nfs/dbraw/zinc/77/71/64/351777164.db2.gz SMWYXFVUWUDKNZ-JSGCOSHPSA-N 1 0 244.342 2.212 20 30 BEEDRO COC[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000178029282 366078046 /nfs/dbraw/zinc/07/80/46/366078046.db2.gz JWPJABXTAWAOSD-GFCCVEGCSA-N 1 0 232.327 2.273 20 30 BEEDRO Cn1cc(C[NH2+]CC2CCSCC2)cc1C#N ZINC000232315980 180649101 /nfs/dbraw/zinc/64/91/01/180649101.db2.gz HFKPPHWOSHUEMU-UHFFFAOYSA-N 1 0 249.383 2.130 20 30 BEEDRO CNC(=[NH2+])NC[C@@H]1C[C@@H](C(C)C)c2ccccc21 ZINC000280628365 351854202 /nfs/dbraw/zinc/85/42/02/351854202.db2.gz LNNWBZAZDMCGLH-FZMZJTMJSA-N 1 0 245.370 2.448 20 30 BEEDRO C[C@H]1CCN(C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000353461757 351935500 /nfs/dbraw/zinc/93/55/00/351935500.db2.gz NOEZYQDQABWFRB-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000638072256 351945036 /nfs/dbraw/zinc/94/50/36/351945036.db2.gz LODBLJKATFHPOY-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336734592 351889222 /nfs/dbraw/zinc/88/92/22/351889222.db2.gz KWJOKWFASSZGIC-FVCCEPFGSA-N 1 0 222.332 2.083 20 30 BEEDRO Cn1ccc(C[NH2+]CC2CCC(C#N)CC2)c1 ZINC000281674589 351903566 /nfs/dbraw/zinc/90/35/66/351903566.db2.gz LWSYEOHAEQMUML-UHFFFAOYSA-N 1 0 231.343 2.445 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@H](CC)c1ccccc1 ZINC000336735349 351906849 /nfs/dbraw/zinc/90/68/49/351906849.db2.gz LSWIQNJBNHOTAX-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C1CC[NH+](C[C@H](OC)C2CCOCC2)CC1 ZINC000638031398 351913457 /nfs/dbraw/zinc/91/34/57/351913457.db2.gz GZTJDCLEJXIMCB-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO C=C1CC[NH+](C[C@@](C)(OC)C2CC2)CC1 ZINC000638032117 351914182 /nfs/dbraw/zinc/91/41/82/351914182.db2.gz MJTYNROIGTWHCI-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@@H]1COCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000284916797 352010276 /nfs/dbraw/zinc/01/02/76/352010276.db2.gz BNRCAMULXMVQNT-NEPJUHHUSA-N 1 0 247.342 2.086 20 30 BEEDRO C=CCC[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000353198844 351961932 /nfs/dbraw/zinc/96/19/32/351961932.db2.gz ISNQEJBEKMRHCQ-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C[N@H+](CC#Cc1cccc(Cl)c1)C1(CO)CC1 ZINC000285479664 352044852 /nfs/dbraw/zinc/04/48/52/352044852.db2.gz LEXNYLODCNUMIG-UHFFFAOYSA-N 1 0 249.741 2.148 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(COC)cc1 ZINC000339762455 191147762 /nfs/dbraw/zinc/14/77/62/191147762.db2.gz BPLGYKKPZDBPFY-UHFFFAOYSA-N 1 0 217.312 2.288 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000285679795 352055701 /nfs/dbraw/zinc/05/57/01/352055701.db2.gz NEECOPUTNGXZBL-GFCCVEGCSA-N 1 0 248.326 2.056 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)CC1(O)CCC1 ZINC000353490409 352065585 /nfs/dbraw/zinc/06/55/85/352065585.db2.gz LAZNLJXGNAPMCK-UHFFFAOYSA-N 1 0 247.313 2.024 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000273427939 187575580 /nfs/dbraw/zinc/57/55/80/187575580.db2.gz KOXOMRVHTVBBGB-MFKMUULPSA-N 1 0 248.301 2.285 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@H](C)CCC#N ZINC000618887573 352160254 /nfs/dbraw/zinc/16/02/54/352160254.db2.gz FQEBLTWBXGFJTR-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)CCC#N)C1 ZINC000618887651 352160754 /nfs/dbraw/zinc/16/07/54/352160754.db2.gz CZWRAUDTRUNQKX-ZIAGYGMSSA-N 1 0 237.391 2.200 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CCc1ccccn1 ZINC000618887987 352162416 /nfs/dbraw/zinc/16/24/16/352162416.db2.gz OBTAWHXVEKCUPH-CYBMUJFWSA-N 1 0 231.343 2.496 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000618888030 352164074 /nfs/dbraw/zinc/16/40/74/352164074.db2.gz MKPAQAJFXLPMKF-OLZOCXBDSA-N 1 0 222.332 2.039 20 30 BEEDRO COC[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000618888187 352165593 /nfs/dbraw/zinc/16/55/93/352165593.db2.gz NXUDQYRQWMMFPZ-CHWSQXEVSA-N 1 0 224.348 2.285 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccccc1N(C)C ZINC000289153177 352173220 /nfs/dbraw/zinc/17/32/20/352173220.db2.gz ZRAJKUKINCROIY-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO Cc1cn[nH]c1C[NH2+]CC1CCC(C#N)CC1 ZINC000289435082 352185707 /nfs/dbraw/zinc/18/57/07/352185707.db2.gz ACERIUGMGJTVTO-UHFFFAOYSA-N 1 0 232.331 2.138 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289482334 352187630 /nfs/dbraw/zinc/18/76/30/352187630.db2.gz ZYKKAJWWWFWAEO-ZDUSSCGKSA-N 1 0 202.301 2.447 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]1C ZINC000613333438 363113395 /nfs/dbraw/zinc/11/33/95/363113395.db2.gz QFSRFFJYDOTDNW-VNHYZAJKSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638400151 352205039 /nfs/dbraw/zinc/20/50/39/352205039.db2.gz HPFSFMCLQPFMCR-XBFCOCLRSA-N 1 0 248.370 2.285 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCCCC#N ZINC000613390023 363154746 /nfs/dbraw/zinc/15/47/46/363154746.db2.gz QQTRXOQSPMYDSL-HIFRSBDPSA-N 1 0 246.354 2.434 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000638455278 352265079 /nfs/dbraw/zinc/26/50/79/352265079.db2.gz SYFUQPZPNOBKDH-NWDGAFQWSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000638455013 352265523 /nfs/dbraw/zinc/26/55/23/352265523.db2.gz OZOLMVWPCNAZCK-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000638455545 352265940 /nfs/dbraw/zinc/26/59/40/352265940.db2.gz XFKOLBZQLOVMPX-NSHDSACASA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638491743 352303526 /nfs/dbraw/zinc/30/35/26/352303526.db2.gz IZAJTMFARAWUHH-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189262552 363174345 /nfs/dbraw/zinc/17/43/45/363174345.db2.gz ISSPQQDINLZMDO-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[N@H+](C[C@H]1CCCO1)[C@H](C)CCC#N ZINC000411216733 191172468 /nfs/dbraw/zinc/17/24/68/191172468.db2.gz FOXYLBMIPFPAJN-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCCC[N@@H+](C)CCCC(=O)NCCC ZINC000411289160 191175100 /nfs/dbraw/zinc/17/51/00/191175100.db2.gz GKMNSUNFBRFUSM-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000411449660 191186949 /nfs/dbraw/zinc/18/69/49/191186949.db2.gz XMBJABLDOOSYRW-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(F)c1 ZINC000044679007 352381818 /nfs/dbraw/zinc/38/18/18/352381818.db2.gz GDVHDJBMFGBSGQ-NSHDSACASA-N 1 0 245.301 2.346 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(CCCO)CC1 ZINC000411507741 191190545 /nfs/dbraw/zinc/19/05/45/191190545.db2.gz SLVIETKEZRTBHK-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000411401042 191182861 /nfs/dbraw/zinc/18/28/61/191182861.db2.gz WAZOFCBAPIRIGE-JHJVBQTASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000411399604 191183489 /nfs/dbraw/zinc/18/34/89/191183489.db2.gz ROFJKVQJSLDXIQ-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)[C@H](CC(F)(F)F)[NH2+]CCC#N ZINC000411611944 191196769 /nfs/dbraw/zinc/19/67/69/191196769.db2.gz OGNYDKLNTUCNEG-QMMMGPOBSA-N 1 0 208.227 2.467 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CC[C@@H]1C ZINC000411617554 191198681 /nfs/dbraw/zinc/19/86/81/191198681.db2.gz UFVUKXPTGBXVNM-SDDRHHMPSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCC1(O)CCC1 ZINC000411655532 191200476 /nfs/dbraw/zinc/20/04/76/191200476.db2.gz KTLOSRRYLBCYCG-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000411656933 191200644 /nfs/dbraw/zinc/20/06/44/191200644.db2.gz DSQNDEJJVNFNDP-LOWVWBTDSA-N 1 0 222.332 2.178 20 30 BEEDRO N#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000411662482 191200758 /nfs/dbraw/zinc/20/07/58/191200758.db2.gz OASQTEDUWCVURJ-MGPQQGTHSA-N 1 0 236.359 2.306 20 30 BEEDRO CC(C)(O)c1ccc(C[NH2+]CCCC#N)cc1 ZINC000295783726 352423949 /nfs/dbraw/zinc/42/39/49/352423949.db2.gz UOHLETWKLNKYSQ-UHFFFAOYSA-N 1 0 232.327 2.307 20 30 BEEDRO C=C(Cl)CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000165220706 187706870 /nfs/dbraw/zinc/70/68/70/187706870.db2.gz YVWJHJGAGKCCKN-UHFFFAOYSA-N 1 0 244.766 2.154 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000411665023 191203643 /nfs/dbraw/zinc/20/36/43/191203643.db2.gz GNJVTWCFKBXJRZ-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCCO1 ZINC000411681219 191204156 /nfs/dbraw/zinc/20/41/56/191204156.db2.gz ZFRBNSJSKJVSKI-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CCCCO[C@@H]1C[C@H]([NH2+]CCC#N)C1(C)C ZINC000411720337 191206420 /nfs/dbraw/zinc/20/64/20/191206420.db2.gz MUBDTSHKHZDLIZ-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000411722513 191206529 /nfs/dbraw/zinc/20/65/29/191206529.db2.gz VDZXOKCYPGWGGU-HZSPNIEDSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000638609456 352447792 /nfs/dbraw/zinc/44/77/92/352447792.db2.gz MIPZNRZZFFXVEB-REWJHTLYSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638611014 352449338 /nfs/dbraw/zinc/44/93/38/352449338.db2.gz RPLZBGHUNLXMKS-VIFPVBQESA-N 1 0 242.269 2.298 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCCO1 ZINC000411773447 191210652 /nfs/dbraw/zinc/21/06/52/191210652.db2.gz STEGRYUAXPFJEX-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000411797105 191211321 /nfs/dbraw/zinc/21/13/21/191211321.db2.gz TVDQWTZSFGDLGF-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000411797106 191211356 /nfs/dbraw/zinc/21/13/56/191211356.db2.gz TVDQWTZSFGDLGF-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO Cn1cc(C[NH2+]CC2CC(F)(F)C2)cc1C#N ZINC000383203075 352547626 /nfs/dbraw/zinc/54/76/26/352547626.db2.gz ZMNLMQGIWXTCHL-UHFFFAOYSA-N 1 0 239.269 2.032 20 30 BEEDRO CC#CCC[NH+]1CCC(c2ccncn2)CC1 ZINC000411829125 191214689 /nfs/dbraw/zinc/21/46/89/191214689.db2.gz SHTVDPWWNLGBCT-UHFFFAOYSA-N 1 0 229.327 2.069 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C[C@H]1C ZINC000411811779 191216181 /nfs/dbraw/zinc/21/61/81/191216181.db2.gz YVVRJSWSWVRQEV-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411865668 191223788 /nfs/dbraw/zinc/22/37/88/191223788.db2.gz HRWBHFFIPUKNHI-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000638757266 352688161 /nfs/dbraw/zinc/68/81/61/352688161.db2.gz IVYJMAAHFMFARD-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)COCC[NH2+]CC1CCSCC1 ZINC000638758597 352694741 /nfs/dbraw/zinc/69/47/41/352694741.db2.gz ZBFGYVHLUKONFZ-UHFFFAOYSA-N 1 0 229.389 2.312 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411962404 191235194 /nfs/dbraw/zinc/23/51/94/191235194.db2.gz BEFNRDUNPUSRMQ-XBFCOCLRSA-N 1 0 241.375 2.107 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CC1)C1CCOCC1 ZINC000336744795 352697999 /nfs/dbraw/zinc/69/79/99/352697999.db2.gz VHSUPSARWOTSPY-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cn(C(C)C)nc1C ZINC000336744912 352701026 /nfs/dbraw/zinc/70/10/26/352701026.db2.gz AUMIXBAWSFQYSR-JTQLQIEISA-N 1 0 207.321 2.437 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnc(C)nc1 ZINC000336744183 352681365 /nfs/dbraw/zinc/68/13/65/352681365.db2.gz YZQJQCZFQYZXLV-UHFFFAOYSA-N 1 0 205.305 2.231 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638749468 352683591 /nfs/dbraw/zinc/68/35/91/352683591.db2.gz PUDNKJXBLNOJJJ-MNOVXSKESA-N 1 0 220.316 2.185 20 30 BEEDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336745345 352731382 /nfs/dbraw/zinc/73/13/82/352731382.db2.gz QRUOUYVWQRAIRE-XQHKEYJVSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000430590835 352746808 /nfs/dbraw/zinc/74/68/08/352746808.db2.gz MBPRASMSDHHJQI-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262844130 187912809 /nfs/dbraw/zinc/91/28/09/187912809.db2.gz JFJVSYPZTIRATA-AAEUAGOBSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000342915073 352916305 /nfs/dbraw/zinc/91/63/05/352916305.db2.gz DBIQGJDYVPBMTP-CYBMUJFWSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC(C)(C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000334262063 352894828 /nfs/dbraw/zinc/89/48/28/352894828.db2.gz UVGOGUGUPPNATK-NWDGAFQWSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(C)nc1C ZINC000274598121 187918236 /nfs/dbraw/zinc/91/82/36/187918236.db2.gz PBDJVVRRTYTCRU-UHFFFAOYSA-N 1 0 207.321 2.174 20 30 BEEDRO C[N@@H+]1CCN(CC2(C#N)CC2)C2(CCCCC2)C1 ZINC000334303406 352940283 /nfs/dbraw/zinc/94/02/83/352940283.db2.gz FPXSWSLFUBVHPM-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638834867 353020905 /nfs/dbraw/zinc/02/09/05/353020905.db2.gz RZPDDTQCGWMNSK-WFASDCNBSA-N 1 0 248.370 2.134 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412108332 191262584 /nfs/dbraw/zinc/26/25/84/191262584.db2.gz SDGLYFXANLXCBT-CYBMUJFWSA-N 1 0 225.332 2.228 20 30 BEEDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000306644793 353031330 /nfs/dbraw/zinc/03/13/30/353031330.db2.gz NPNUULJGROUHCQ-UTLUCORTSA-N 1 0 210.346 2.162 20 30 BEEDRO COC[C@H]([NH2+]CCCCC#N)C1CCCC1 ZINC000336751517 353061035 /nfs/dbraw/zinc/06/10/35/353061035.db2.gz CZWOWGGXVNTXMC-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCc1ccsc1 ZINC000336751544 353061132 /nfs/dbraw/zinc/06/11/32/353061132.db2.gz GLZMZTFXFBJAMI-JQWIXIFHSA-N 1 0 225.357 2.206 20 30 BEEDRO COC[C@@H]([NH2+]CCCCC#N)C1CCCC1 ZINC000336751514 353061325 /nfs/dbraw/zinc/06/13/25/353061325.db2.gz CZWOWGGXVNTXMC-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](C)[NH2+]CC ZINC000638866150 353039725 /nfs/dbraw/zinc/03/97/25/353039725.db2.gz OIZNRHQRDBQUPF-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CCC1C[NH2+]C1 ZINC000638867072 353041022 /nfs/dbraw/zinc/04/10/22/353041022.db2.gz ZIAFVCPEBHUCNI-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000638876082 353042415 /nfs/dbraw/zinc/04/24/15/353042415.db2.gz YFRFEOMOWXAQHB-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000638876397 353042476 /nfs/dbraw/zinc/04/24/76/353042476.db2.gz YOCOTMRBBJKJPC-GHMZBOCLSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000638877076 353043046 /nfs/dbraw/zinc/04/30/46/353043046.db2.gz GICXWSYJGMXTTK-CQSZACIVSA-N 1 0 246.354 2.029 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000336752296 353078182 /nfs/dbraw/zinc/07/81/82/353078182.db2.gz GAZUBGYOGVYPTN-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000336752294 353078287 /nfs/dbraw/zinc/07/82/87/353078287.db2.gz GAZUBGYOGVYPTN-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C=C(CC)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334407615 353089188 /nfs/dbraw/zinc/08/91/88/353089188.db2.gz HLSPTRXGGITZRZ-KBPBESRZSA-N 1 0 222.376 2.369 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000336752698 353090260 /nfs/dbraw/zinc/09/02/60/353090260.db2.gz GJIUKWRLDNKJBN-QWRGUYRKSA-N 1 0 212.337 2.329 20 30 BEEDRO N#Cc1ccc(CN2CCO[C@H]3CCC[C@@H]32)s1 ZINC000271122791 188024950 /nfs/dbraw/zinc/02/49/50/188024950.db2.gz KYUUQAUFXCUOIE-STQMWFEESA-N 1 0 248.351 2.373 20 30 BEEDRO CC(C)(C)[C@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000280477779 188031946 /nfs/dbraw/zinc/03/19/46/188031946.db2.gz NULQJPCFKLTZTJ-CYBMUJFWSA-N 1 0 248.326 2.398 20 30 BEEDRO CC(C)[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000283660341 188033789 /nfs/dbraw/zinc/03/37/89/188033789.db2.gz BTBQRZBACXASEK-CQSZACIVSA-N 1 0 232.327 2.007 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccccn1 ZINC000163895518 188043403 /nfs/dbraw/zinc/04/34/03/188043403.db2.gz MWIDZTGQVFELNN-UHFFFAOYSA-N 1 0 208.330 2.090 20 30 BEEDRO Cc1cc(C)c(C#N)c(NC2CCC([NH3+])CC2)n1 ZINC000051693987 188045719 /nfs/dbraw/zinc/04/57/19/188045719.db2.gz ZRECLTBDNPGWQS-UHFFFAOYSA-N 1 0 244.342 2.252 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(COC)o1 ZINC000166685621 188052190 /nfs/dbraw/zinc/05/21/90/188052190.db2.gz VUVJXWRGUGJWSQ-UHFFFAOYSA-N 1 0 241.356 2.435 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CCC(F)(F)F ZINC000336756329 353154387 /nfs/dbraw/zinc/15/43/87/353154387.db2.gz JHWYCPDKSQGTHI-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000336759998 353170044 /nfs/dbraw/zinc/17/00/44/353170044.db2.gz LVNOSPIOBKHCKQ-UMSGYPCISA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(C)CC1 ZINC000336760666 353171879 /nfs/dbraw/zinc/17/18/79/353171879.db2.gz MJFKPWBNWVZDLG-OTTFEQOBSA-N 1 0 211.349 2.339 20 30 BEEDRO COCCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000336757094 353160819 /nfs/dbraw/zinc/16/08/19/353160819.db2.gz HMAXPEUPGSZILU-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C1CCC1 ZINC000052207679 353192653 /nfs/dbraw/zinc/19/26/53/353192653.db2.gz MDZZALFRXOACKR-UHFFFAOYSA-N 1 0 215.296 2.341 20 30 BEEDRO C=CCCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336762361 353205911 /nfs/dbraw/zinc/20/59/11/353205911.db2.gz LFPVSYYANLGYRN-UHFFFAOYSA-N 1 0 239.388 2.261 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CCC1CC1 ZINC000336762724 353208446 /nfs/dbraw/zinc/20/84/46/353208446.db2.gz OLMVDWGQPHKBHN-AAEUAGOBSA-N 1 0 211.349 2.339 20 30 BEEDRO O=C(NCCc1ncc[nH]1)C1=CCCC1 ZINC000330986481 353209092 /nfs/dbraw/zinc/20/90/92/353209092.db2.gz QBVOVFOGMJFKSM-UHFFFAOYSA-N 1 0 205.261 2.019 20 30 BEEDRO COCC[C@@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000336762860 353210626 /nfs/dbraw/zinc/21/06/26/353210626.db2.gz OETRDADGDZUZJE-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000121167548 324004601 /nfs/dbraw/zinc/00/46/01/324004601.db2.gz IPGHIANHXCEONS-GFCCVEGCSA-N 1 0 226.364 2.138 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000336763836 353250813 /nfs/dbraw/zinc/25/08/13/353250813.db2.gz PQZBKKJHGWQTOQ-QWHCGFSZSA-N 1 0 210.365 2.273 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000165233171 353257549 /nfs/dbraw/zinc/25/75/49/353257549.db2.gz UJQJGRNUOXDIHX-SNVBAGLBSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000336764602 353257987 /nfs/dbraw/zinc/25/79/87/353257987.db2.gz QHEAGHLRKRFTTB-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000165233303 353258018 /nfs/dbraw/zinc/25/80/18/353258018.db2.gz FSALHHIXHODPBG-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO N#CCC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000331308710 353239712 /nfs/dbraw/zinc/23/97/12/353239712.db2.gz BLXURVDYTNKVIP-LLVKDONJSA-N 1 0 223.320 2.364 20 30 BEEDRO CCc1cc(CCC[NH2+][C@H]2CCC[C@@H]2C#N)on1 ZINC000331331705 353241215 /nfs/dbraw/zinc/24/12/15/353241215.db2.gz HSYMDZYFPUUAKS-RISCZKNCSA-N 1 0 247.342 2.451 20 30 BEEDRO CC(C)n1ccnc1CN[C@@H]1CCC[C@H]1C#N ZINC000331303855 353243091 /nfs/dbraw/zinc/24/30/91/353243091.db2.gz ANAYPAHYEJSTED-NWDGAFQWSA-N 1 0 232.331 2.246 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000289982806 353266148 /nfs/dbraw/zinc/26/61/48/353266148.db2.gz XZQIEBTVSWLZMA-TZMCWYRMSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000289985858 353281549 /nfs/dbraw/zinc/28/15/49/353281549.db2.gz XCSHAZKTYSEZQT-ZWNOBZJWSA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)Cc1cccc(Cl)c1 ZINC000289985857 353281580 /nfs/dbraw/zinc/28/15/80/353281580.db2.gz XCSHAZKTYSEZQT-MFKMUULPSA-N 1 0 239.746 2.408 20 30 BEEDRO C=CC[C@H](C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000128095152 353282511 /nfs/dbraw/zinc/28/25/11/353282511.db2.gz USVJMOGZKDKBME-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ncc(C)n1C ZINC000336769305 353284397 /nfs/dbraw/zinc/28/43/97/353284397.db2.gz USRPECJMMNNWPK-NSHDSACASA-N 1 0 207.321 2.173 20 30 BEEDRO COCC[C@@H]([NH2+]CCCC#N)C(C)(C)C ZINC000336769334 353285124 /nfs/dbraw/zinc/28/51/24/353285124.db2.gz UUXGFCHUGIQSOD-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C#CCN1CC[C@H](Oc2ccccc2Cl)C1 ZINC000128492123 353289003 /nfs/dbraw/zinc/28/90/03/353289003.db2.gz TYXYEHGZVDKKBE-NSHDSACASA-N 1 0 235.714 2.426 20 30 BEEDRO C=CCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161775802 353295168 /nfs/dbraw/zinc/29/51/68/353295168.db2.gz CHWHDILKIVAXPZ-UHFFFAOYSA-N 1 0 232.327 2.006 20 30 BEEDRO C#CCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000270551902 188262203 /nfs/dbraw/zinc/26/22/03/188262203.db2.gz URFGBFDNZYPLOE-MRXNPFEDSA-N 1 0 243.350 2.382 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272922873 188263105 /nfs/dbraw/zinc/26/31/05/188263105.db2.gz JDOXDYZUVIJWKI-MEDUHNTESA-N 1 0 235.352 2.098 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000278622850 188267394 /nfs/dbraw/zinc/26/73/94/188267394.db2.gz FYFHBUSSKFYAJB-AWEZNQCLSA-N 1 0 249.329 2.174 20 30 BEEDRO Cc1ccnc(NC2(C[NH+](C)C)CCC2)c1C#N ZINC000282031135 188268278 /nfs/dbraw/zinc/26/82/78/188268278.db2.gz YDRSBWDQFYRCMT-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)C1CCCC1 ZINC000336771961 353310477 /nfs/dbraw/zinc/31/04/77/353310477.db2.gz XTKWYVONRXZPCB-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCOCC)cc1 ZINC000161911640 353300550 /nfs/dbraw/zinc/30/05/50/353300550.db2.gz UJJVZMUDHWVEMC-CYBMUJFWSA-N 1 0 247.338 2.386 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1ccc(C)cc1 ZINC000639044300 353329598 /nfs/dbraw/zinc/32/95/98/353329598.db2.gz KALDGNKEXVIIAJ-AWEZNQCLSA-N 1 0 219.328 2.064 20 30 BEEDRO C#CCN1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000076120015 353331840 /nfs/dbraw/zinc/33/18/40/353331840.db2.gz VZYSFDBJSFCYKX-OAHLLOKOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000162974016 353334773 /nfs/dbraw/zinc/33/47/73/353334773.db2.gz XQYRPPMMJQBZLX-SNVBAGLBSA-N 1 0 220.316 2.453 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253103122 353316791 /nfs/dbraw/zinc/31/67/91/353316791.db2.gz YLJWKQGDDFRYMQ-RRFJBIMHSA-N 1 0 235.371 2.415 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000162638923 353324066 /nfs/dbraw/zinc/32/40/66/353324066.db2.gz DSCDAFIYPNIFFV-SECBINFHSA-N 1 0 223.272 2.120 20 30 BEEDRO C=CCC[C@@H](C)Nc1ccc(OCC(N)=O)cc1 ZINC000130602775 353356765 /nfs/dbraw/zinc/35/67/65/353356765.db2.gz JCLJRZBUAYMUDC-LLVKDONJSA-N 1 0 248.326 2.317 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)C[C@H](C)O)cc1 ZINC000130704213 353358308 /nfs/dbraw/zinc/35/83/08/353358308.db2.gz FLNIVRZMDUAKCZ-LBPRGKRZSA-N 1 0 235.327 2.064 20 30 BEEDRO C#CCOc1ccc(C[N@H+](C)CC=C)cc1 ZINC000154776853 188332163 /nfs/dbraw/zinc/33/21/63/188332163.db2.gz BMFOITGQXANUAO-UHFFFAOYSA-N 1 0 215.296 2.316 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000130462176 353351158 /nfs/dbraw/zinc/35/11/58/353351158.db2.gz HFOAOEUGDMJDCP-SECBINFHSA-N 1 0 205.257 2.079 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000080962209 353395980 /nfs/dbraw/zinc/39/59/80/353395980.db2.gz HVVCDROWBGEZRO-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(F)cc1F ZINC000267879957 535227640 /nfs/dbraw/zinc/22/76/40/535227640.db2.gz NXLRHFWISYJOMD-UHFFFAOYSA-N 1 0 214.215 2.164 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000132592344 353382632 /nfs/dbraw/zinc/38/26/32/353382632.db2.gz FLTZDTKMZGEQQQ-LLVKDONJSA-N 1 0 221.304 2.134 20 30 BEEDRO COc1ccccc1C[NH2+]CCCC#N ZINC000020040890 188351861 /nfs/dbraw/zinc/35/18/61/188351861.db2.gz JQTAOJNSOJLVLM-UHFFFAOYSA-N 1 0 204.273 2.089 20 30 BEEDRO CC#CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289997586 353411576 /nfs/dbraw/zinc/41/15/76/353411576.db2.gz YVXCIMFPUUZQFD-LBPRGKRZSA-N 1 0 237.368 2.421 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)CC/C=C/CC)C1=O ZINC000281266166 353440408 /nfs/dbraw/zinc/44/04/08/353440408.db2.gz HTTPMSPBQZWTST-KTRBRXNASA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281298374 353440884 /nfs/dbraw/zinc/44/08/84/353440884.db2.gz HIACFKRQRCPMAS-GFCCVEGCSA-N 1 0 205.305 2.133 20 30 BEEDRO C=CCCC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281598792 353444296 /nfs/dbraw/zinc/44/42/96/353444296.db2.gz FQOZVQNIUMMMCW-OAHLLOKOSA-N 1 0 247.338 2.213 20 30 BEEDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1C#N ZINC000292953438 188391390 /nfs/dbraw/zinc/39/13/90/188391390.db2.gz IWWVEZKENCDEKN-WDEREUQCSA-N 1 0 230.311 2.407 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000639091303 353452373 /nfs/dbraw/zinc/45/23/73/353452373.db2.gz NSCBLIQEIRZETJ-UHFFFAOYSA-N 1 0 242.269 2.251 20 30 BEEDRO CC#CCN1CCc2ccc(F)cc2C1 ZINC000134107191 353457761 /nfs/dbraw/zinc/45/77/61/353457761.db2.gz BPNITKLBIWWEDM-UHFFFAOYSA-N 1 0 203.260 2.207 20 30 BEEDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1C#N ZINC000292953435 188391471 /nfs/dbraw/zinc/39/14/71/188391471.db2.gz IWWVEZKENCDEKN-QWRGUYRKSA-N 1 0 230.311 2.407 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)NCC(F)F ZINC000280966791 353431853 /nfs/dbraw/zinc/43/18/53/353431853.db2.gz VCPDJCUUEDVWAR-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000280983159 353432037 /nfs/dbraw/zinc/43/20/37/353432037.db2.gz LJFNACNEYFZUMI-CQSZACIVSA-N 1 0 232.327 2.249 20 30 BEEDRO C=C(CC)CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000412402066 191279784 /nfs/dbraw/zinc/27/97/84/191279784.db2.gz IVJALGYPJUXUSQ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282671460 353481030 /nfs/dbraw/zinc/48/10/30/353481030.db2.gz JEWHMJBIXGCTCV-AWEZNQCLSA-N 1 0 249.741 2.264 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093303279 353484839 /nfs/dbraw/zinc/48/48/39/353484839.db2.gz IXDFBYVEHSAXMO-CYBMUJFWSA-N 1 0 219.328 2.446 20 30 BEEDRO C#CC[NH+](CC#C)Cc1cc(C)c(C)cc1O ZINC000093461440 353487208 /nfs/dbraw/zinc/48/72/08/353487208.db2.gz NFFPKCNRPCHFKA-UHFFFAOYSA-N 1 0 227.307 2.077 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282024115 353461022 /nfs/dbraw/zinc/46/10/22/353461022.db2.gz KLDMSEWQCGNNAV-ZDUSSCGKSA-N 1 0 243.354 2.032 20 30 BEEDRO C#CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000134294958 353470217 /nfs/dbraw/zinc/47/02/17/353470217.db2.gz JSRXPOFLAMHAJN-UHFFFAOYSA-N 1 0 237.730 2.158 20 30 BEEDRO C=C(C)CN(CC)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283960654 353507664 /nfs/dbraw/zinc/50/76/64/353507664.db2.gz KVVQXDLANNVIEB-UHFFFAOYSA-N 1 0 243.310 2.373 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccco1 ZINC000285890326 353548087 /nfs/dbraw/zinc/54/80/87/353548087.db2.gz CFSJYHWVXIZHRV-VXGBXAGGSA-N 1 0 248.326 2.107 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccco1 ZINC000285890296 353548223 /nfs/dbraw/zinc/54/82/23/353548223.db2.gz CFSJYHWVXIZHRV-NEPJUHHUSA-N 1 0 248.326 2.107 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000183301460 353530602 /nfs/dbraw/zinc/53/06/02/353530602.db2.gz LAOOEODMYVXPCH-GFCCVEGCSA-N 1 0 249.379 2.196 20 30 BEEDRO C=C1CC[NH+](CCc2cnn(CC)c2)CC1 ZINC000285223741 353530719 /nfs/dbraw/zinc/53/07/19/353530719.db2.gz XSVVDZGOAPPMSA-UHFFFAOYSA-N 1 0 219.332 2.098 20 30 BEEDRO C#CCCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285293680 353533444 /nfs/dbraw/zinc/53/34/44/353533444.db2.gz GQGWOAOJOBUSMW-CYBMUJFWSA-N 1 0 217.316 2.350 20 30 BEEDRO C#CC(C)(C)N(C)Cc1c(C)onc1CC ZINC000285591531 353535775 /nfs/dbraw/zinc/53/57/75/353535775.db2.gz BLEVYPCDPJTVGB-UHFFFAOYSA-N 1 0 220.316 2.389 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1c1nc(C)no1 ZINC000285633339 353537576 /nfs/dbraw/zinc/53/75/76/353537576.db2.gz LKTZCWBYOBPYBB-GFCCVEGCSA-N 1 0 233.315 2.318 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135265680 353540439 /nfs/dbraw/zinc/54/04/39/353540439.db2.gz YQPFJRDEPARYQM-JTQLQIEISA-N 1 0 218.256 2.269 20 30 BEEDRO C#CC[N@H+](CCn1ccnc1)Cc1ccccc1 ZINC000285704273 353540558 /nfs/dbraw/zinc/54/05/58/353540558.db2.gz OMIWQQCDHBVGQB-UHFFFAOYSA-N 1 0 239.322 2.019 20 30 BEEDRO C=C(CC)C[NH2+]C1(CC(=O)OC)CCCC1 ZINC000336777653 353497168 /nfs/dbraw/zinc/49/71/68/353497168.db2.gz JCHYXFJEATXLIT-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285811321 353550534 /nfs/dbraw/zinc/55/05/34/353550534.db2.gz VTVOFKOODVPFQN-UHFFFAOYSA-N 1 0 222.332 2.219 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCC[C@H]1O ZINC000286639700 353564074 /nfs/dbraw/zinc/56/40/74/353564074.db2.gz TUFVAFWIOUTIOJ-HUUCEWRRSA-N 1 0 247.313 2.022 20 30 BEEDRO CC[NH+]1CCC(Nc2ccc(C)c(C#N)n2)CC1 ZINC000302714710 353621306 /nfs/dbraw/zinc/62/13/06/353621306.db2.gz MNLIVJDLRHREJU-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCO)C2CCC2)cc1 ZINC000289632414 353623485 /nfs/dbraw/zinc/62/34/85/353623485.db2.gz KPNRYJJHQBPJBV-UHFFFAOYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000289641974 353625182 /nfs/dbraw/zinc/62/51/82/353625182.db2.gz XQGAEFIBQQWRBR-LBPRGKRZSA-N 1 0 239.322 2.198 20 30 BEEDRO C=CC[C@@H]1[N@H+](Cc2cnn(C)n2)CCCC1(C)C ZINC000289679952 353625783 /nfs/dbraw/zinc/62/57/83/353625783.db2.gz ZGXCMGSTHOOMOI-ZDUSSCGKSA-N 1 0 248.374 2.382 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C(=O)OCC)o1)C(C)C ZINC000289397633 353627553 /nfs/dbraw/zinc/62/75/53/353627553.db2.gz OGDZMESZYGSLGX-LBPRGKRZSA-N 1 0 249.310 2.204 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C)nn(CCC)c1C ZINC000289390567 353627671 /nfs/dbraw/zinc/62/76/71/353627671.db2.gz NMHDGUJICKOXFI-JTQLQIEISA-N 1 0 219.332 2.021 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000289518806 353630329 /nfs/dbraw/zinc/63/03/29/353630329.db2.gz PEDUCIMNYOYMHU-AWEZNQCLSA-N 1 0 212.296 2.306 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)cc1 ZINC000289540392 353631054 /nfs/dbraw/zinc/63/10/54/353631054.db2.gz IANZRMPIUYXYFL-CJNGLKHVSA-N 1 0 243.350 2.430 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000289550047 353631795 /nfs/dbraw/zinc/63/17/95/353631795.db2.gz RAXFLNYIHXCFKO-JTQLQIEISA-N 1 0 239.265 2.442 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC=C)c(OC)c1 ZINC000289523404 353631799 /nfs/dbraw/zinc/63/17/99/353631799.db2.gz PNBKMZNYAJSXTL-LBPRGKRZSA-N 1 0 245.322 2.371 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000289610138 353633328 /nfs/dbraw/zinc/63/33/28/353633328.db2.gz DBDDBLQFBRCCMU-OCCSQVGLSA-N 1 0 235.302 2.340 20 30 BEEDRO C#CCOc1ccc(C[N@@H+](C)C[C@H](C)OC)cc1 ZINC000289593944 353633402 /nfs/dbraw/zinc/63/34/02/353633402.db2.gz KOKMHXNZNLOAMF-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000289776595 353634886 /nfs/dbraw/zinc/63/48/86/353634886.db2.gz MKQRNRLILJFRFL-AAEUAGOBSA-N 1 0 235.327 2.288 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000289806909 353637006 /nfs/dbraw/zinc/63/70/06/353637006.db2.gz OFTQDELZHQUFCE-SWLSCSKDSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000289710374 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C#C[C@H]([NH2+]Cc1ccc(OC)c(O)c1)C(C)C ZINC000289331193 353613262 /nfs/dbraw/zinc/61/32/62/353613262.db2.gz GVOGHMQWHBPPPR-LBPRGKRZSA-N 1 0 233.311 2.148 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(NC(C)=O)cc1)C(C)C ZINC000289338435 353613732 /nfs/dbraw/zinc/61/37/32/353613732.db2.gz HMCDYOPJNMPLHH-OAHLLOKOSA-N 1 0 244.338 2.392 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC([C@H](C)O)CC2)cc1 ZINC000289357330 353613885 /nfs/dbraw/zinc/61/38/85/353613885.db2.gz NTURIIJDOVQYJN-ZDUSSCGKSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)cc1 ZINC000289216372 353620488 /nfs/dbraw/zinc/62/04/88/353620488.db2.gz JALRRGPINMESLE-JKSUJKDBSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000290407653 353663053 /nfs/dbraw/zinc/66/30/53/353663053.db2.gz PYRPZVZXMCBQAR-IUODEOHRSA-N 1 0 229.323 2.325 20 30 BEEDRO CSC[C@H]1CCC[N@@H+]1CC1(C#N)CC1 ZINC000343321433 353682646 /nfs/dbraw/zinc/68/26/46/353682646.db2.gz NGQINJJFVZGHPF-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO CN(CC1(C#N)CC1)[C@@H](CCO)c1ccccc1 ZINC000343323190 353698011 /nfs/dbraw/zinc/69/80/11/353698011.db2.gz UGIANHUWVZKFKV-AWEZNQCLSA-N 1 0 244.338 2.346 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1ccco1 ZINC000291879773 353700676 /nfs/dbraw/zinc/70/06/76/353700676.db2.gz JIWKUIMFYORCOG-WDEREUQCSA-N 1 0 236.315 2.011 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291918633 353702105 /nfs/dbraw/zinc/70/21/05/353702105.db2.gz SCXHTAGYYWDTGG-MRXNPFEDSA-N 1 0 243.350 2.036 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291785742 353704609 /nfs/dbraw/zinc/70/46/09/353704609.db2.gz MLENOZPGJMKLDD-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1 ZINC000292846015 353726721 /nfs/dbraw/zinc/72/67/21/353726721.db2.gz SSLURQHYFOFVFF-WFASDCNBSA-N 1 0 229.323 2.013 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000336782627 353729433 /nfs/dbraw/zinc/72/94/33/353729433.db2.gz YGTJVULAPTUUCL-NSHDSACASA-N 1 0 219.332 2.202 20 30 BEEDRO CC#CC[N@H+](C)CCCCCn1cccn1 ZINC000293074453 353731790 /nfs/dbraw/zinc/73/17/90/353731790.db2.gz JCZFGMHXDLCQFM-UHFFFAOYSA-N 1 0 219.332 2.009 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000398105709 324217846 /nfs/dbraw/zinc/21/78/46/324217846.db2.gz VMVFDJFARBBJTO-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCCc1cnn(C)n1 ZINC000293709997 353754985 /nfs/dbraw/zinc/75/49/85/353754985.db2.gz MSOYHZZLEUPRST-LBPRGKRZSA-N 1 0 236.363 2.082 20 30 BEEDRO C=CCOCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000293738100 353755462 /nfs/dbraw/zinc/75/54/62/353755462.db2.gz HJFCDQQBGBHFJF-UHFFFAOYSA-N 1 0 235.302 2.386 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000580343400 353764708 /nfs/dbraw/zinc/76/47/08/353764708.db2.gz NWMDMWWABXVTGB-YUELXQCFSA-N 1 0 246.354 2.433 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293308251 353740602 /nfs/dbraw/zinc/74/06/02/353740602.db2.gz ZYDGZCZFYJXWLW-HNNXBMFYSA-N 1 0 249.329 2.381 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000293312628 353740914 /nfs/dbraw/zinc/74/09/14/353740914.db2.gz LNSALEXTMVZZHC-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO N#CCC1(C[NH2+]C(C2CC2)C2CC2)CC1 ZINC000083853981 353797893 /nfs/dbraw/zinc/79/78/93/353797893.db2.gz RFRUXHKIWYFSSF-UHFFFAOYSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(F)ncc1F ZINC000295313632 353803618 /nfs/dbraw/zinc/80/36/18/353803618.db2.gz YPADNSRIJRSAQJ-QMMMGPOBSA-N 1 0 212.243 2.414 20 30 BEEDRO C#C[C@H](NC(=O)Nc1ccc(C)nc1C)C(C)C ZINC000296466540 353820523 /nfs/dbraw/zinc/82/05/23/353820523.db2.gz BAPYUBMEHOPQRE-LBPRGKRZSA-N 1 0 245.326 2.478 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(F)ncc1F ZINC000296767644 353832849 /nfs/dbraw/zinc/83/28/49/353832849.db2.gz LGGCBMUWNAJAGK-UHFFFAOYSA-N 1 0 212.243 2.416 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000296923605 353837145 /nfs/dbraw/zinc/83/71/45/353837145.db2.gz WSXIHMIGCJMVAX-SMDDNHRTSA-N 1 0 247.338 2.296 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294810341 353789247 /nfs/dbraw/zinc/78/92/47/353789247.db2.gz NTXFEPSNGRODAZ-VHSXEESVSA-N 1 0 234.347 2.372 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000294739810 353793180 /nfs/dbraw/zinc/79/31/80/353793180.db2.gz HAEMHUQJFWDUTG-SNVBAGLBSA-N 1 0 222.336 2.372 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000320712348 353795730 /nfs/dbraw/zinc/79/57/30/353795730.db2.gz HDSKSTBLTUMFIA-HZPDHXFCSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000297279465 353847335 /nfs/dbraw/zinc/84/73/35/353847335.db2.gz BULACGWWNSVHGQ-DGCLKSJQSA-N 1 0 236.359 2.093 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C)o1 ZINC000639141883 353849514 /nfs/dbraw/zinc/84/95/14/353849514.db2.gz BCSNREPVIPJAAK-DGCLKSJQSA-N 1 0 236.315 2.054 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccns1 ZINC000639142904 353850407 /nfs/dbraw/zinc/85/04/07/353850407.db2.gz FLBHKSWJDRYELL-JQWIXIFHSA-N 1 0 238.356 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238.375 2.330 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000229529703 363281551 /nfs/dbraw/zinc/28/15/51/363281551.db2.gz LTFWXESYZDDNRB-MNOVXSKESA-N 1 0 205.276 2.368 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccnc(N)c1 ZINC000334552977 353995093 /nfs/dbraw/zinc/99/50/93/353995093.db2.gz APAJZUYAPZGBOR-LBPRGKRZSA-N 1 0 217.316 2.035 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCCC[NH+](C)C ZINC000343840996 354020387 /nfs/dbraw/zinc/02/03/87/354020387.db2.gz ONHFKPQOCCFOIQ-ZDUSSCGKSA-N 1 0 226.364 2.047 20 30 BEEDRO CCCCN(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000343924187 354044115 /nfs/dbraw/zinc/04/41/15/354044115.db2.gz HDFWANIVLHUQSO-BFHYXJOUSA-N 1 0 237.391 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000308884321 181060910 /nfs/dbraw/zinc/06/09/10/181060910.db2.gz RVOPKPBHYWNWOE-VXGBXAGGSA-N 1 0 224.373 2.411 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000336462193 181061128 /nfs/dbraw/zinc/06/11/28/181061128.db2.gz WWLGHIBHIINGBW-BXUZGUMPSA-N 1 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2.233 20 30 BEEDRO CC(C)[NH2+]C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334615585 354301743 /nfs/dbraw/zinc/30/17/43/354301743.db2.gz KXGYTTWHOUCXBS-TZMCWYRMSA-N 1 0 235.375 2.141 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCSC2)cc1 ZINC000224381239 181107780 /nfs/dbraw/zinc/10/77/80/181107780.db2.gz APQSGTPPIDOMGB-ZDUSSCGKSA-N 1 0 232.352 2.401 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCSC2)s1 ZINC000228553778 181107816 /nfs/dbraw/zinc/10/78/16/181107816.db2.gz UFBXUEQQFGUVOK-VIFPVBQESA-N 1 0 238.381 2.462 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000077204420 181107841 /nfs/dbraw/zinc/10/78/41/181107841.db2.gz IWSFDMBUPKPGGU-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](CO)C2)o1 ZINC000342249691 181108090 /nfs/dbraw/zinc/10/80/90/181108090.db2.gz PIQMQYOUVTWPPF-NEPJUHHUSA-N 1 0 248.326 2.040 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000037717752 181108672 /nfs/dbraw/zinc/10/86/72/181108672.db2.gz BFPCRWGZPAMNAA-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CCOCC2)s1 ZINC000135498530 181108707 /nfs/dbraw/zinc/10/87/07/181108707.db2.gz ULPBIQYNPFOSAG-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000219028330 181109551 /nfs/dbraw/zinc/10/95/51/181109551.db2.gz YHYLTPNVVVXEOM-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)c2ccsc2)o1 ZINC000230664974 181109553 /nfs/dbraw/zinc/10/95/53/181109553.db2.gz NAAWDCSNMDBWDG-LBPRGKRZSA-N 1 0 248.307 2.036 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOCC2)s1 ZINC000181028378 181109625 /nfs/dbraw/zinc/10/96/25/181109625.db2.gz OOFZPLDEDYWRHU-SNVBAGLBSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCCO)c1ccccc1 ZINC000178755893 366161350 /nfs/dbraw/zinc/16/13/50/366161350.db2.gz AJCYFNHCNYIJIQ-HNNXBMFYSA-N 1 0 249.354 2.292 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)o1 ZINC000284948066 181103814 /nfs/dbraw/zinc/10/38/14/181103814.db2.gz HLVVPXPCLIFIDW-UONOGXRCSA-N 1 0 246.310 2.295 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)o1 ZINC000284948069 181103966 /nfs/dbraw/zinc/10/39/66/181103966.db2.gz HLVVPXPCLIFIDW-ZIAGYGMSSA-N 1 0 246.310 2.295 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)o1 ZINC000093443150 181105391 /nfs/dbraw/zinc/10/53/91/181105391.db2.gz CNQASUSDRXJQID-PHIMTYICSA-N 1 0 216.284 2.383 20 30 BEEDRO N#Cc1ccc(N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC000132468066 181116484 /nfs/dbraw/zinc/11/64/84/181116484.db2.gz NDUGXGIFKQMXHB-NEPJUHHUSA-N 1 0 245.301 2.028 20 30 BEEDRO N#Cc1ccc(N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000236286265 181125800 /nfs/dbraw/zinc/12/58/00/181125800.db2.gz XCHNDLQURHXSAT-CQSZACIVSA-N 1 0 229.327 2.488 20 30 BEEDRO N#Cc1ccc(OC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000051883171 181128535 /nfs/dbraw/zinc/12/85/35/181128535.db2.gz UWGVEAXJBOMKAT-LLVKDONJSA-N 1 0 234.274 2.076 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC(C#N)CC1 ZINC000334657921 354453473 /nfs/dbraw/zinc/45/34/73/354453473.db2.gz YDIHORVMLCTDTK-HNNXBMFYSA-N 1 0 249.402 2.485 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH+]2CCCCCC2)cc1 ZINC000034673946 181130013 /nfs/dbraw/zinc/13/00/13/181130013.db2.gz XSQUHDLBHHCXLW-OAHLLOKOSA-N 1 0 244.338 2.468 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000334739369 354543005 /nfs/dbraw/zinc/54/30/05/354543005.db2.gz SRXMQZOUTOTWOT-TZMCWYRMSA-N 1 0 229.327 2.480 20 30 BEEDRO N#Cc1cccc(CC[NH2+]Cc2ccncc2)c1 ZINC000341483411 181136536 /nfs/dbraw/zinc/13/65/36/181136536.db2.gz KKCMBYJIQSNWGS-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO N#Cc1cccc(C2([NH2+]C3CCOCC3)CC2)c1 ZINC000336438679 181136815 /nfs/dbraw/zinc/13/68/15/181136815.db2.gz UHFYRCPEGAOFQW-UHFFFAOYSA-N 1 0 242.322 2.316 20 30 BEEDRO N#Cc1cccc(C2([NH2+]C[C@@H]3CCCO3)CC2)c1 ZINC000271752928 181136962 /nfs/dbraw/zinc/13/69/62/181136962.db2.gz GCYPEPLXMZCMIH-AWEZNQCLSA-N 1 0 242.322 2.316 20 30 BEEDRO N#Cc1cccc(NC(=O)C2(C[NH3+])CCCC2)c1 ZINC000077393367 181140680 /nfs/dbraw/zinc/14/06/80/181140680.db2.gz BNWHSKAGYUOSTK-UHFFFAOYSA-N 1 0 243.310 2.016 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000335097238 354637621 /nfs/dbraw/zinc/63/76/21/354637621.db2.gz BPQPHTPICLARDL-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000335099116 354640337 /nfs/dbraw/zinc/64/03/37/354640337.db2.gz UZZQAVWCTWVGMI-CYBMUJFWSA-N 1 0 221.344 2.454 20 30 BEEDRO CC[NH+](CC)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000019846687 354753832 /nfs/dbraw/zinc/75/38/32/354753832.db2.gz JHLAIKMJRHZEJM-NSHDSACASA-N 1 0 245.326 2.227 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000379455849 358489137 /nfs/dbraw/zinc/48/91/37/358489137.db2.gz NHTPBDXIBIBMHK-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO N#Cc1ccn(CCC[NH+]2CCCCC2)c1 ZINC000288595262 181154616 /nfs/dbraw/zinc/15/46/16/181154616.db2.gz MFLGCVLPHDEPOT-UHFFFAOYSA-N 1 0 217.316 2.236 20 30 BEEDRO CCCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000019846822 354867563 /nfs/dbraw/zinc/86/75/63/354867563.db2.gz RJBXLWZNGOVARF-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO C=CCC[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000346175835 354868318 /nfs/dbraw/zinc/86/83/18/354868318.db2.gz HZFWBSZYUZBMCC-LLVKDONJSA-N 1 0 232.318 2.224 20 30 BEEDRO C=CCOc1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000346063607 354851742 /nfs/dbraw/zinc/85/17/42/354851742.db2.gz GZXBYLFYQRUPMG-AWEZNQCLSA-N 1 0 246.354 2.175 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)nc1C ZINC000335150884 354864338 /nfs/dbraw/zinc/86/43/38/354864338.db2.gz SZRUZKIUPHVORM-QWHCGFSZSA-N 1 0 229.327 2.480 20 30 BEEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCCC1 ZINC000024164758 181160771 /nfs/dbraw/zinc/16/07/71/181160771.db2.gz FEZZUVABBWZBKY-UHFFFAOYSA-N 1 0 249.339 2.044 20 30 BEEDRO CN(Cc1nc(C#N)cs1)[C@@H]1CC1(C)C ZINC000335179779 354953827 /nfs/dbraw/zinc/95/38/27/354953827.db2.gz SJGGUCUBYSSACM-SECBINFHSA-N 1 0 221.329 2.245 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000330844434 535273715 /nfs/dbraw/zinc/27/37/15/535273715.db2.gz NKBDNLMMDLZJEA-UHFFFAOYSA-N 1 0 246.354 2.392 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000639226658 355034607 /nfs/dbraw/zinc/03/46/07/355034607.db2.gz HRGUZPSAYNTJFT-BFHYXJOUSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCCN(C)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346820215 355124822 /nfs/dbraw/zinc/12/48/22/355124822.db2.gz JPVNVDWSGDQSTN-XQQFMLRXSA-N 1 0 238.375 2.282 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cnc(C)[nH]c1=O)C1CC1 ZINC000346801707 355108459 /nfs/dbraw/zinc/10/84/59/355108459.db2.gz BYRMDMKTLHIEFU-CYBMUJFWSA-N 1 0 247.342 2.325 20 30 BEEDRO C=CCCN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000346820214 355125251 /nfs/dbraw/zinc/12/52/51/355125251.db2.gz JPVNVDWSGDQSTN-UPJWGTAASA-N 1 0 238.375 2.282 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000335247662 355163550 /nfs/dbraw/zinc/16/35/50/355163550.db2.gz GPHAWQNHUSJWEL-ZIAGYGMSSA-N 1 0 217.312 2.370 20 30 BEEDRO C[C@@H](c1cnn(C)c1)[N@H+](C)CCC(C)(C)C#N ZINC000346953596 355166371 /nfs/dbraw/zinc/16/63/71/355166371.db2.gz FWCAHVPMSHJHEB-NSHDSACASA-N 1 0 234.347 2.353 20 30 BEEDRO C=CCN(C[C@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000346828844 355128467 /nfs/dbraw/zinc/12/84/67/355128467.db2.gz IXRTXFNDKAACFW-JTQLQIEISA-N 1 0 236.281 2.036 20 30 BEEDRO C=CCOc1cccc(CN2CC[NH2+]C[C@H]2C)c1 ZINC000347006973 355202405 /nfs/dbraw/zinc/20/24/05/355202405.db2.gz DBHUWFXCDSADPQ-CYBMUJFWSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CCc1ccc(C)cc1 ZINC000639238159 355221671 /nfs/dbraw/zinc/22/16/71/355221671.db2.gz HKZNPFPFXLBIGS-OAHLLOKOSA-N 1 0 233.355 2.454 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)CC1(SC)CC1 ZINC000347606327 355233064 /nfs/dbraw/zinc/23/30/64/355233064.db2.gz HKWYAVIONJORQD-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)CC1(SC)CC1 ZINC000347606326 355233140 /nfs/dbraw/zinc/23/31/40/355233140.db2.gz HKWYAVIONJORQD-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C=CC[NH2+][C@H](CCC)c1nnc2ccccn21 ZINC000347628891 355240661 /nfs/dbraw/zinc/24/06/61/355240661.db2.gz BHHQOTNNMMECNL-LLVKDONJSA-N 1 0 230.315 2.346 20 30 BEEDRO CCOC1CC(C[N@H+](CCC#N)CC2CC2)C1 ZINC000352013749 134036132 /nfs/dbraw/zinc/03/61/32/134036132.db2.gz KJTLSBATYCLUJR-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](CCCCNc1ncccc1C#N)C1CC1 ZINC000413351146 191373627 /nfs/dbraw/zinc/37/36/27/191373627.db2.gz YVYGOBLFCSKDOQ-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C[N@@H+]1CCC[C@H](CCNc2ncccc2C#N)C1 ZINC000413432861 191378847 /nfs/dbraw/zinc/37/88/47/191378847.db2.gz CRORWLNCZVUVMT-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H]1C[N@H+](CC#CC[NH+]2C[C@@H](C)[C@H](C)C2)C[C@H]1C ZINC000583506655 355341446 /nfs/dbraw/zinc/34/14/46/355341446.db2.gz UGZKQHHAGCLCGO-FPCVCCKLSA-N 1 0 248.414 2.165 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ncccc1CC ZINC000349754892 355424299 /nfs/dbraw/zinc/42/42/99/355424299.db2.gz DVKZLRBADVEJAK-DGCLKSJQSA-N 1 0 234.343 2.232 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000349813779 355467782 /nfs/dbraw/zinc/46/77/82/355467782.db2.gz PZKGECJQLXTIGR-OLZOCXBDSA-N 1 0 230.311 2.477 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000349815177 355467788 /nfs/dbraw/zinc/46/77/88/355467788.db2.gz ZGNHBKNTJCJQBN-PWSUYJOCSA-N 1 0 245.282 2.377 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000353957575 355470220 /nfs/dbraw/zinc/47/02/20/355470220.db2.gz QMUOQPDVOSJDGN-SYQHCUMBSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(CC)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000335852439 355596666 /nfs/dbraw/zinc/59/66/66/355596666.db2.gz GDTCNKAZSCEFER-UHFFFAOYSA-N 1 0 218.300 2.112 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1CCO[C@@H](C)C1)C1CC1 ZINC000350220549 355651132 /nfs/dbraw/zinc/65/11/32/355651132.db2.gz GENMXNXELMZYEW-NWDGAFQWSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[N@H+](Cc1cccc2nccn21)C1CC1 ZINC000350225514 355652105 /nfs/dbraw/zinc/65/21/05/355652105.db2.gz PDPSMDFZWOLMBN-UHFFFAOYSA-N 1 0 227.311 2.485 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc(OC)no1 ZINC000639323973 355718364 /nfs/dbraw/zinc/71/83/64/355718364.db2.gz HSYWDGUGCRDDNW-VIFPVBQESA-N 1 0 210.277 2.128 20 30 BEEDRO C=C(C)CC[NH+]1CCC(OCCOC)CC1 ZINC000352051101 134047003 /nfs/dbraw/zinc/04/70/03/134047003.db2.gz YONOIXJLNXKUNO-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000424832633 191801792 /nfs/dbraw/zinc/80/17/92/191801792.db2.gz RXSARFPADDGVCR-LBPRGKRZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cncn1C(C)C ZINC000425336125 191814461 /nfs/dbraw/zinc/81/44/61/191814461.db2.gz JWDLOUSZRGOYAL-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1ncnn1CC ZINC000639334693 355765474 /nfs/dbraw/zinc/76/54/74/355765474.db2.gz IUIYLEULIKIRJY-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(OC)no1 ZINC000639325033 355726662 /nfs/dbraw/zinc/72/66/62/355726662.db2.gz QOHQVZWINVLKFM-NXEZZACHSA-N 1 0 224.304 2.374 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC2CCC1CC2 ZINC000639326896 355732715 /nfs/dbraw/zinc/73/27/15/355732715.db2.gz IOFAPUKIOHFORD-YOMYCBHVSA-N 1 0 223.360 2.338 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)c1sc(C)nc1C ZINC000106877583 355796646 /nfs/dbraw/zinc/79/66/46/355796646.db2.gz YTKUOMNVNIWHLV-VIFPVBQESA-N 1 0 208.330 2.386 20 30 BEEDRO C=CCN(C)CC(=O)N1CCCc2ccccc21 ZINC000111245064 355877004 /nfs/dbraw/zinc/87/70/04/355877004.db2.gz MWHULDQVYGLHAZ-UHFFFAOYSA-N 1 0 244.338 2.084 20 30 BEEDRO N#CCCC1CC[NH+](CCCCCO)CC1 ZINC000399332394 355863274 /nfs/dbraw/zinc/86/32/74/355863274.db2.gz BUMZBMQHIRPPLV-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639380445 355918671 /nfs/dbraw/zinc/91/86/71/355918671.db2.gz FIGVJPBRHFLPQI-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639380448 355919189 /nfs/dbraw/zinc/91/91/89/355919189.db2.gz FIGVJPBRHFLPQI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000336041085 134061870 /nfs/dbraw/zinc/06/18/70/134061870.db2.gz LWFLGRNKXWTRNR-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C2(C)COC2)cc1 ZINC000639382473 355929174 /nfs/dbraw/zinc/92/91/74/355929174.db2.gz QYERGUBIWZQIQY-UHFFFAOYSA-N 1 0 233.311 2.130 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1sccc1OC ZINC000389213797 355884447 /nfs/dbraw/zinc/88/44/47/355884447.db2.gz JOIWXCBXRXDCAB-SECBINFHSA-N 1 0 209.314 2.258 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCC1CCOCC1 ZINC000389346867 355979379 /nfs/dbraw/zinc/97/93/79/355979379.db2.gz VIPIGJSTHRIXNB-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(C)C ZINC000351409832 355986593 /nfs/dbraw/zinc/98/65/93/355986593.db2.gz HUUWCELISZICGT-OLZOCXBDSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)CCCOC(C)C ZINC000351409909 355986800 /nfs/dbraw/zinc/98/68/00/355986800.db2.gz IRPLVZRGDADYFK-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO Cc1cc(C[NH2+]CCCF)ccc1C#N ZINC000309066990 355989751 /nfs/dbraw/zinc/98/97/51/355989751.db2.gz AADMHPJNDVAPQI-UHFFFAOYSA-N 1 0 206.264 2.316 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000351472183 355997301 /nfs/dbraw/zinc/99/73/01/355997301.db2.gz OVMPPKNESARORX-HZSPNIEDSA-N 1 0 246.358 2.458 20 30 BEEDRO COC[C@H]([NH2+]CC#Cc1ccccc1)C1CC1 ZINC000192164968 355959894 /nfs/dbraw/zinc/95/98/94/355959894.db2.gz UTILBAAQBAERQB-HNNXBMFYSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@H]1CC[C@@H]([N@H+](CCO)CCC(C)(C)C#N)C1 ZINC000351628783 356034880 /nfs/dbraw/zinc/03/48/80/356034880.db2.gz KQUHOYMLPFIZSF-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO Cc1noc([C@H]2CCC[N@@H+]([C@H](C)CCC#N)C2)n1 ZINC000351633634 356057224 /nfs/dbraw/zinc/05/72/24/356057224.db2.gz OCQAKVVMNLCDKP-PWSUYJOCSA-N 1 0 248.330 2.250 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(CC)CC1 ZINC000351595413 356026560 /nfs/dbraw/zinc/02/65/60/356026560.db2.gz KMYNAJVHNWKVRM-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2cc(C)ccn2)CC1 ZINC000351872964 356107236 /nfs/dbraw/zinc/10/72/36/356107236.db2.gz FXEWLROLYWLMLS-UHFFFAOYSA-N 1 0 245.370 2.478 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617552863 356109463 /nfs/dbraw/zinc/10/94/63/356109463.db2.gz WLPZNXYMXNUDDM-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331351898 356097978 /nfs/dbraw/zinc/09/79/78/356097978.db2.gz OKCLUYBMAVOQSX-WDEREUQCSA-N 1 0 238.331 2.000 20 30 BEEDRO C=CC(C)(C)CNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418250476 192007522 /nfs/dbraw/zinc/00/75/22/192007522.db2.gz LMNOKIUTJTYMNH-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000335916759 356158866 /nfs/dbraw/zinc/15/88/66/356158866.db2.gz WQCGWRPOJNTWTL-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2C)ccc1C#N ZINC000336096881 134080534 /nfs/dbraw/zinc/08/05/34/134080534.db2.gz RIWWRPYVJHJKFX-WFASDCNBSA-N 1 0 244.338 2.381 20 30 BEEDRO COC1(C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000335912849 356137775 /nfs/dbraw/zinc/13/77/75/356137775.db2.gz CSPBPFMLXUENHL-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1[C@H](C)N(Cc2ccc(C#N)s2)CC[N@H+]1C ZINC000336086375 134076751 /nfs/dbraw/zinc/07/67/51/134076751.db2.gz UHNXEMIFZDBDGG-MNOVXSKESA-N 1 0 249.383 2.144 20 30 BEEDRO C=C(C)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000351914279 356198372 /nfs/dbraw/zinc/19/83/72/356198372.db2.gz WDXSAZHIBGJLGS-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639484880 356300834 /nfs/dbraw/zinc/30/08/34/356300834.db2.gz AAFZICANDMDFBK-WCQYABFASA-N 1 0 209.333 2.309 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617756153 356316691 /nfs/dbraw/zinc/31/66/91/356316691.db2.gz AVYZTNKRBLALMD-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617761966 356319603 /nfs/dbraw/zinc/31/96/03/356319603.db2.gz CZAVREBCKJIDCU-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCc1ccc(C#N)cc1 ZINC000420355244 192218835 /nfs/dbraw/zinc/21/88/35/192218835.db2.gz BXIMLNDMDRWDRM-JMSVASOKSA-N 1 0 243.354 2.034 20 30 BEEDRO C=CCN(C[C@H](C)[NH3+])CC1CCCCC1 ZINC000420307144 192208208 /nfs/dbraw/zinc/20/82/08/192208208.db2.gz RFQDHWJZUPSILR-LBPRGKRZSA-N 1 0 210.365 2.402 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000617783136 356354389 /nfs/dbraw/zinc/35/43/89/356354389.db2.gz UOTPQBWLKDSMDN-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccc(C#N)cc1 ZINC000420366572 192225733 /nfs/dbraw/zinc/22/57/33/192225733.db2.gz RLSQXAMCYPOQJC-CYBMUJFWSA-N 1 0 231.343 2.021 20 30 BEEDRO C=CCCC[NH2+][C@@H](CN)C1CCCCC1 ZINC000420359114 192222259 /nfs/dbraw/zinc/22/22/59/192222259.db2.gz FYPDSQAOBGXPTI-ZDUSSCGKSA-N 1 0 210.365 2.450 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1CC(C)(C)CO1)C1CC1 ZINC000639559032 356465160 /nfs/dbraw/zinc/46/51/60/356465160.db2.gz KGUIWOJZEYUUSC-LBPRGKRZSA-N 1 0 209.333 2.452 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2nccs2)C1 ZINC000192787016 356438291 /nfs/dbraw/zinc/43/82/91/356438291.db2.gz IQJSKWDZFDJFLD-GHMZBOCLSA-N 1 0 235.356 2.358 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)on1 ZINC000192830624 356447677 /nfs/dbraw/zinc/44/76/77/356447677.db2.gz RBWHPYTZRFJFPL-WDEREUQCSA-N 1 0 219.288 2.155 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)C[C@H]1C[C@@H](O)C1 ZINC000420911011 192270566 /nfs/dbraw/zinc/27/05/66/192270566.db2.gz FZRLKOXDBKLZSQ-OKILXGFUSA-N 1 0 238.375 2.409 20 30 BEEDRO CN(CC#Cc1ccccc1)C[C@H]1CCC[N@@H+]1C ZINC000420995189 192293254 /nfs/dbraw/zinc/29/32/54/192293254.db2.gz HRTNGNLWIZVHOZ-MRXNPFEDSA-N 1 0 242.366 2.064 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000449785240 202036135 /nfs/dbraw/zinc/03/61/35/202036135.db2.gz FDOHHWAHAQFQCD-LBPRGKRZSA-N 1 0 247.342 2.066 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421012373 192302061 /nfs/dbraw/zinc/30/20/61/192302061.db2.gz ICMGQPNAGXMHON-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO N#Cc1cc(F)ccc1CN1CC[C@@]12CCOC2 ZINC000421019768 192304093 /nfs/dbraw/zinc/30/40/93/192304093.db2.gz MRLNMCWZQYFURA-AWEZNQCLSA-N 1 0 246.285 2.062 20 30 BEEDRO CC[N@@H+](Cc1cccc(C#N)c1)C[C@@H](C)OC ZINC000272872316 366290218 /nfs/dbraw/zinc/29/02/18/366290218.db2.gz ZVVCFHYISKNCKB-GFCCVEGCSA-N 1 0 232.327 2.415 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421022948 192305989 /nfs/dbraw/zinc/30/59/89/192305989.db2.gz VINJTPOBCDEQKU-CQSZACIVSA-N 1 0 241.375 2.064 20 30 BEEDRO N#CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000123683246 358506037 /nfs/dbraw/zinc/50/60/37/358506037.db2.gz BNRSRGMNGFEZJQ-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CC(=O)N(CCC)C1 ZINC000421350028 192319691 /nfs/dbraw/zinc/31/96/91/192319691.db2.gz KDZDJENSPAMFOG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000336207073 134132410 /nfs/dbraw/zinc/13/24/10/134132410.db2.gz STDYYQDOAMGPOY-QPPOZKHWSA-N 1 0 236.359 2.352 20 30 BEEDRO C=CCC1(C(=O)N(C)CC[NH+](C)C)CCCC1 ZINC000450022384 202067632 /nfs/dbraw/zinc/06/76/32/202067632.db2.gz KSJFPRJRQMWLFA-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]2C2CC2)o1 ZINC000336216130 134136654 /nfs/dbraw/zinc/13/66/54/134136654.db2.gz CJJZIEMAXHGDED-GFCCVEGCSA-N 1 0 202.257 2.136 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000450048060 202070760 /nfs/dbraw/zinc/07/07/60/202070760.db2.gz AOTXKPNPFNSCAK-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639690187 356600008 /nfs/dbraw/zinc/60/00/08/356600008.db2.gz CJZQOHAPWPWDRK-LSDHHAIUSA-N 1 0 246.354 2.198 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000093298311 356604902 /nfs/dbraw/zinc/60/49/02/356604902.db2.gz LVWNFAUNFXLLOK-LBPRGKRZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639741651 356633573 /nfs/dbraw/zinc/63/35/73/356633573.db2.gz CCEZOHYUYMIOOY-BETUJISGSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000352413809 134143978 /nfs/dbraw/zinc/14/39/78/134143978.db2.gz QYRFIHLOXCEIOK-IHRRRGAJSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cnc(C)s1 ZINC000380187810 538465783 /nfs/dbraw/zinc/46/57/83/538465783.db2.gz HBSOGILTXRCXSL-SECBINFHSA-N 1 0 226.345 2.305 20 30 BEEDRO C[C@@H](F)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352490160 134146820 /nfs/dbraw/zinc/14/68/20/134146820.db2.gz GJEAKSPFPYBJRE-SECBINFHSA-N 1 0 202.248 2.062 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1 ZINC000019488352 356638020 /nfs/dbraw/zinc/63/80/20/356638020.db2.gz TWJGHJVOWRFXSL-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO CCC#C[C@@H](C)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000639746356 356638923 /nfs/dbraw/zinc/63/89/23/356638923.db2.gz DWTOSPCPLBETQA-KGLIPLIRSA-N 1 0 236.403 2.450 20 30 BEEDRO N#CC1(F)CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000352441905 134145622 /nfs/dbraw/zinc/14/56/22/134145622.db2.gz GKRRMEBGYBEYDA-LBPRGKRZSA-N 1 0 240.322 2.273 20 30 BEEDRO Cc1nc(CC[NH2+]Cc2ccc(C#N)o2)c(C)o1 ZINC000346821452 356651923 /nfs/dbraw/zinc/65/19/23/356651923.db2.gz IYECBEXZJLHIMP-UHFFFAOYSA-N 1 0 245.282 2.088 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1CN(CC#N)C1CC1 ZINC000450337270 202133120 /nfs/dbraw/zinc/13/31/20/202133120.db2.gz DXNQJAWHNTYPKK-AWEZNQCLSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)C[C@H]1CCOC1 ZINC000352700886 134151226 /nfs/dbraw/zinc/15/12/26/134151226.db2.gz ZJABMXLUWPDHOJ-CYBMUJFWSA-N 1 0 235.327 2.347 20 30 BEEDRO C=C(Cl)CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000167734286 134153602 /nfs/dbraw/zinc/15/36/02/134153602.db2.gz WUZLMTYQLNYEPZ-GRYCIOLGSA-N 1 0 228.767 2.249 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C1CCCC1 ZINC000321096680 259468920 /nfs/dbraw/zinc/46/89/20/259468920.db2.gz LHBTVSNTJHGKFX-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO CCN1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000675076088 538510231 /nfs/dbraw/zinc/51/02/31/538510231.db2.gz YPNUEVQZSYGSGW-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO CC[NH+]1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000019934242 356667284 /nfs/dbraw/zinc/66/72/84/356667284.db2.gz FBKGPJQZALLQQL-CQSZACIVSA-N 1 0 247.317 2.028 20 30 BEEDRO CC1CCN(C(=[NH2+])NCC(C)(C)C)CC1 ZINC000194690668 134159542 /nfs/dbraw/zinc/15/95/42/134159542.db2.gz YBYDUNREZWUJEK-UHFFFAOYSA-N 1 0 211.353 2.079 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353076905 134160392 /nfs/dbraw/zinc/16/03/92/134160392.db2.gz CRGUSCBKSRPZCG-NEPJUHHUSA-N 1 0 232.327 2.380 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353026537 134158710 /nfs/dbraw/zinc/15/87/10/134158710.db2.gz WCWXGPDXMPRMND-VIFPVBQESA-N 1 0 205.248 2.124 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnccc1N ZINC000423151320 192591155 /nfs/dbraw/zinc/59/11/55/192591155.db2.gz JUSIDVBZRHSMPF-SNVBAGLBSA-N 1 0 219.332 2.357 20 30 BEEDRO CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000354151235 356731289 /nfs/dbraw/zinc/73/12/89/356731289.db2.gz WNXDOIQJFHOBIW-SCRDCRAPSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC(C)(C)CO1)[C@@H](C)COC ZINC000639784824 356737233 /nfs/dbraw/zinc/73/72/33/356737233.db2.gz ONTJEJQGGJWHFY-STQMWFEESA-N 1 0 241.375 2.324 20 30 BEEDRO CC[N@H+](CCCO)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340296 363567649 /nfs/dbraw/zinc/56/76/49/363567649.db2.gz ZCEOGBNFOHZKDL-LBPRGKRZSA-N 1 0 232.327 2.324 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CC2(C#N)CCC2)C[C@@H]1C ZINC000450465070 202175797 /nfs/dbraw/zinc/17/57/97/202175797.db2.gz DATVSRREWGURCN-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H](C)COC)c1 ZINC000354704119 134169719 /nfs/dbraw/zinc/16/97/19/134169719.db2.gz KMEAJWWWBYMJEM-LBPRGKRZSA-N 1 0 235.327 2.376 20 30 BEEDRO Cn1ccnc1C[N@H+](C)CC(C)(C)CCC#N ZINC000355313593 134172784 /nfs/dbraw/zinc/17/27/84/134172784.db2.gz JBHAYRPRPLMNCC-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO C=CCC1([NH2+]CCc2cnccn2)CCCC1 ZINC000639827671 356810143 /nfs/dbraw/zinc/81/01/43/356810143.db2.gz NRVNDOPWCXFUHP-UHFFFAOYSA-N 1 0 231.343 2.498 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCc2ncnn21)C(C)(C)C ZINC000639828294 356812300 /nfs/dbraw/zinc/81/23/00/356812300.db2.gz NGZLGFTWPYMAJY-LLVKDONJSA-N 1 0 234.347 2.052 20 30 BEEDRO C=C1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356265094 134177337 /nfs/dbraw/zinc/17/73/37/134177337.db2.gz DLTIIHCJLCFMEC-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCOC(F)(F)F)c1 ZINC000089051668 356911238 /nfs/dbraw/zinc/91/12/38/356911238.db2.gz NCHCKPQWDYBYPU-UHFFFAOYSA-N 1 0 244.216 2.184 20 30 BEEDRO N#Cc1ccc(N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089108374 356935641 /nfs/dbraw/zinc/93/56/41/356935641.db2.gz RTNVZNWJYMLCDJ-OCCSQVGLSA-N 1 0 229.327 2.488 20 30 BEEDRO CC(C)[NH+](CCN(C)CC1(C#N)CC1)C(C)C ZINC000356396883 134178052 /nfs/dbraw/zinc/17/80/52/134178052.db2.gz WZUSWUUHFNURDG-UHFFFAOYSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1(SC)CCC1 ZINC000356381828 134178181 /nfs/dbraw/zinc/17/81/81/134178181.db2.gz BDDGWTIODAMZMU-UHFFFAOYSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1sccc1Cl ZINC000193208834 356896430 /nfs/dbraw/zinc/89/64/30/356896430.db2.gz MGFVHMJSJZBUGH-QMMMGPOBSA-N 1 0 231.748 2.428 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2occc21 ZINC000193284829 356899654 /nfs/dbraw/zinc/89/96/54/356899654.db2.gz GOVSZVGEINLRRE-JQWIXIFHSA-N 1 0 221.300 2.184 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2occc21 ZINC000193284820 356899722 /nfs/dbraw/zinc/89/97/22/356899722.db2.gz GOVSZVGEINLRRE-ZYHUDNBSSA-N 1 0 221.300 2.184 20 30 BEEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCOC1 ZINC000336789324 356971131 /nfs/dbraw/zinc/97/11/31/356971131.db2.gz IXHQTNWGDLIUNS-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CC[N@@H+](CCC(=O)N1CCC[C@H]1C)C1CC1 ZINC000357554352 134183884 /nfs/dbraw/zinc/18/38/84/134183884.db2.gz PLDGHILPZHFJPO-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@H+](Cc1cnc2ccccn12)C1CC1 ZINC000357557683 134184196 /nfs/dbraw/zinc/18/41/96/134184196.db2.gz ZGRMLFXFMFCVLJ-UHFFFAOYSA-N 1 0 227.311 2.485 20 30 BEEDRO C=CCC[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000639875073 357060560 /nfs/dbraw/zinc/06/05/60/357060560.db2.gz AITWUVVFKKLJQJ-CQSZACIVSA-N 1 0 246.354 2.451 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C ZINC000321181372 259470115 /nfs/dbraw/zinc/47/01/15/259470115.db2.gz ZOERMLOHLDOXSD-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000582371145 357113729 /nfs/dbraw/zinc/11/37/29/357113729.db2.gz OKHFHWCECCECNA-JSGCOSHPSA-N 1 0 249.358 2.097 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000390486692 357096858 /nfs/dbraw/zinc/09/68/58/357096858.db2.gz OXRWCZRKXSWPRH-WCQYABFASA-N 1 0 239.384 2.453 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000582371146 357114478 /nfs/dbraw/zinc/11/44/78/357114478.db2.gz OKHFHWCECCECNA-OCCSQVGLSA-N 1 0 249.358 2.097 20 30 BEEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000054669830 363577393 /nfs/dbraw/zinc/57/73/93/363577393.db2.gz PYRJEJKJTUSARS-CQSZACIVSA-N 1 0 244.338 2.126 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cnn3c2CCC3)C1 ZINC000628406274 357201483 /nfs/dbraw/zinc/20/14/83/357201483.db2.gz GCOVEMQZWIYFJL-GFCCVEGCSA-N 1 0 231.343 2.227 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000358822222 134192838 /nfs/dbraw/zinc/19/28/38/134192838.db2.gz AXNVNTXLFCFLQQ-QWHCGFSZSA-N 1 0 240.347 2.154 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000393376680 357308065 /nfs/dbraw/zinc/30/80/65/357308065.db2.gz LTORNDUNFYWGKI-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CN)C1CC1 ZINC000423281334 192674122 /nfs/dbraw/zinc/67/41/22/192674122.db2.gz UHGALOICSACAGU-YPMHNXCESA-N 1 0 210.365 2.448 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(CCOC)C1 ZINC000360236812 134199183 /nfs/dbraw/zinc/19/91/83/134199183.db2.gz DPHFQXHXMQGRRV-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCc1ccncc1 ZINC000360438464 134200494 /nfs/dbraw/zinc/20/04/94/134200494.db2.gz RIIOCUCSFJDYJB-GFCCVEGCSA-N 1 0 217.316 2.106 20 30 BEEDRO C[C@H]1CCC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610270912 357404569 /nfs/dbraw/zinc/40/45/69/357404569.db2.gz IOACAPGAWBDDIN-GXTWGEPZSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000582915547 357435149 /nfs/dbraw/zinc/43/51/49/357435149.db2.gz PYUBYKNPPXBOCM-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+]CCCCC#N ZINC000582959887 357438495 /nfs/dbraw/zinc/43/84/95/357438495.db2.gz QNBZBHFIZVOUAS-LBPRGKRZSA-N 1 0 212.337 2.067 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000397189729 357506234 /nfs/dbraw/zinc/50/62/34/357506234.db2.gz NYKDEJSIBHHWOA-ZIAGYGMSSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000397189723 357506370 /nfs/dbraw/zinc/50/63/70/357506370.db2.gz NYKDEJSIBHHWOA-KBPBESRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCCC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000361048071 134202694 /nfs/dbraw/zinc/20/26/94/134202694.db2.gz ISFJIEVHNLGUQZ-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=C[C@H](CC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000583087134 357469186 /nfs/dbraw/zinc/46/91/86/357469186.db2.gz KAPNIOQBTUAVKC-FRRDWIJNSA-N 1 0 246.354 2.198 20 30 BEEDRO N#CCCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000054992875 363582688 /nfs/dbraw/zinc/58/26/88/363582688.db2.gz PXUWTRKGVTWOQC-UHFFFAOYSA-N 1 0 243.354 2.108 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCOCC(F)(F)F ZINC000063095806 357525035 /nfs/dbraw/zinc/52/50/35/357525035.db2.gz BIPSJQLHKZLUBT-SECBINFHSA-N 1 0 238.253 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+](CC)CCC ZINC000188479733 357555034 /nfs/dbraw/zinc/55/50/34/357555034.db2.gz ZKCFKNCKUWIXTQ-CQSZACIVSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000188548967 357560728 /nfs/dbraw/zinc/56/07/28/357560728.db2.gz CFAIWOIIRFDTOA-DGCLKSJQSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000362295830 134209679 /nfs/dbraw/zinc/20/96/79/134209679.db2.gz AWPVFXXCPUMTSX-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000232528405 357662760 /nfs/dbraw/zinc/66/27/60/357662760.db2.gz RWEHABQCAGSHJD-CYBMUJFWSA-N 1 0 238.375 2.411 20 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COC[C@@H]1CCCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000368657281 134219949 /nfs/dbraw/zinc/21/99/49/134219949.db2.gz AVBVORXDOMAFSZ-UONOGXRCSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CC[N@@H+](C)[C@H](COC)Cc1ccccc1 ZINC000191475479 357772235 /nfs/dbraw/zinc/77/22/35/357772235.db2.gz SLIVJWDLAOBEBR-AWEZNQCLSA-N 1 0 219.328 2.362 20 30 BEEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000369180706 134221905 /nfs/dbraw/zinc/22/19/05/134221905.db2.gz NGTAQVDQHYJXIH-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO COC[C@H](C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399119247 357896118 /nfs/dbraw/zinc/89/61/18/357896118.db2.gz NZZGGHLTRFLQPA-GFCCVEGCSA-N 1 0 232.327 2.125 20 30 BEEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000193302999 357873413 /nfs/dbraw/zinc/87/34/13/357873413.db2.gz IXWPOULNVXCOQI-GFCCVEGCSA-N 1 0 224.348 2.073 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC(=O)C[C@@H]1C ZINC000371195700 134227592 /nfs/dbraw/zinc/22/75/92/134227592.db2.gz OOXOBELWCKZNSK-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO C#CCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000371207339 134227649 /nfs/dbraw/zinc/22/76/49/134227649.db2.gz JPPIANPDERHTOF-AWEZNQCLSA-N 1 0 215.296 2.163 20 30 BEEDRO COC[C@@H](C)C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399119248 357895628 /nfs/dbraw/zinc/89/56/28/357895628.db2.gz NZZGGHLTRFLQPA-LBPRGKRZSA-N 1 0 232.327 2.125 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000398974076 357891424 /nfs/dbraw/zinc/89/14/24/357891424.db2.gz BUFZZDQLQJQYHT-AWEZNQCLSA-N 1 0 230.311 2.021 20 30 BEEDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000398985634 357893128 /nfs/dbraw/zinc/89/31/28/357893128.db2.gz HTKHBKVEDCHOFN-FZMZJTMJSA-N 1 0 230.311 2.020 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1CCOCC1 ZINC000399082149 357895818 /nfs/dbraw/zinc/89/58/18/357895818.db2.gz SHVLRRCNQRLSAI-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@@H](CO)SC)C1CC1 ZINC000121285069 134232563 /nfs/dbraw/zinc/23/25/63/134232563.db2.gz JMWIWXUUYINPRD-WCFLWFBJSA-N 1 0 243.416 2.433 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)O1 ZINC000399161133 357897243 /nfs/dbraw/zinc/89/72/43/357897243.db2.gz CNUWZHCQYDOFDL-JMSVASOKSA-N 1 0 244.338 2.408 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H](C)O1 ZINC000399161140 357897489 /nfs/dbraw/zinc/89/74/89/357897489.db2.gz CNUWZHCQYDOFDL-LALPHHSUSA-N 1 0 244.338 2.408 20 30 BEEDRO C=CCCOCC[NH2+]CC(C)(C)CCC#N ZINC000120845375 134230407 /nfs/dbraw/zinc/23/04/07/134230407.db2.gz YVPLDNXDHNMTJQ-UHFFFAOYSA-N 1 0 224.348 2.499 20 30 BEEDRO COC[C@@H]1CCCC[N@H+](CCCCC#N)C1 ZINC000372095473 134230491 /nfs/dbraw/zinc/23/04/91/134230491.db2.gz OOWKGYIRVYUXJW-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCC)C1 ZINC000120880324 134230578 /nfs/dbraw/zinc/23/05/78/134230578.db2.gz SYMVBMGDPUKREV-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000382530953 357912638 /nfs/dbraw/zinc/91/26/38/357912638.db2.gz HKJRCNVKZXAMGO-STQMWFEESA-N 1 0 236.359 2.073 20 30 BEEDRO CC#CC[N@H+](C[C@H](C)O)C1CCCCC1 ZINC000304319964 134237285 /nfs/dbraw/zinc/23/72/85/134237285.db2.gz PHKJKKAFRFYAMB-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000304551663 134237846 /nfs/dbraw/zinc/23/78/46/134237846.db2.gz KDOCYZJPSFLTOJ-SNVBAGLBSA-N 1 0 237.265 2.342 20 30 BEEDRO CCOc1cc(CNCC(C)(C)C#N)ccc1O ZINC000122326952 134238727 /nfs/dbraw/zinc/23/87/27/134238727.db2.gz QJLKLOABRSXPEE-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO CC#CCC[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375364128 134238987 /nfs/dbraw/zinc/23/89/87/134238987.db2.gz XJDFLDLFXFYINA-UHFFFAOYSA-N 1 0 231.343 2.311 20 30 BEEDRO CC#CCN1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985577 358026185 /nfs/dbraw/zinc/02/61/85/358026185.db2.gz ASUUMNOHLQVZQJ-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)Cc1cn[nH]c1 ZINC000610662110 358047298 /nfs/dbraw/zinc/04/72/98/358047298.db2.gz GUDVGFGULUTEDC-LLVKDONJSA-N 1 0 240.310 2.474 20 30 BEEDRO C=CCCCC[N@@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000584571156 358070460 /nfs/dbraw/zinc/07/04/60/358070460.db2.gz XZVQQWBISVSSIQ-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](CCO)C2)c1 ZINC000051896366 358092771 /nfs/dbraw/zinc/09/27/71/358092771.db2.gz WHHGSSJVVOWBCP-CYBMUJFWSA-N 1 0 244.338 2.153 20 30 BEEDRO [NH2+]=C(NCCC1CCCC1)NCC1CCC1 ZINC000170904553 134254995 /nfs/dbraw/zinc/25/49/95/134254995.db2.gz FVHRPCUNPXUTCU-UHFFFAOYSA-N 1 0 223.364 2.271 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000171410285 134258349 /nfs/dbraw/zinc/25/83/49/134258349.db2.gz XSTHQVHGHUCGJV-CHWSQXEVSA-N 1 0 247.317 2.009 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000640072454 358170331 /nfs/dbraw/zinc/17/03/31/358170331.db2.gz JDCMBISNTCJLIW-NSHDSACASA-N 1 0 215.312 2.138 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000171625548 134259329 /nfs/dbraw/zinc/25/93/29/134259329.db2.gz WRKGESFOMFVEBB-UHFFFAOYSA-N 1 0 223.272 2.074 20 30 BEEDRO CC(C)CC[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813755 358189894 /nfs/dbraw/zinc/18/98/94/358189894.db2.gz RYVKZRPRSNZNAC-CYBMUJFWSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@H]1CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813576 358189901 /nfs/dbraw/zinc/18/99/01/358189901.db2.gz LFBAZOKBNWCDJJ-JSGCOSHPSA-N 1 0 235.375 2.143 20 30 BEEDRO Cc1ccc([C@H](C)[NH2+]C2CCN(CC#N)CC2)o1 ZINC000610813447 358189923 /nfs/dbraw/zinc/18/99/23/358189923.db2.gz HQFMGGQFUDHTMW-LBPRGKRZSA-N 1 0 247.342 2.227 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640092041 358184929 /nfs/dbraw/zinc/18/49/29/358184929.db2.gz RPAVZXLHUDUNKC-AVGNSLFASA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccsc1 ZINC000610813884 358189627 /nfs/dbraw/zinc/18/96/27/358189627.db2.gz VJBOUINXPBWABC-LLVKDONJSA-N 1 0 249.383 2.387 20 30 BEEDRO CC1(C)CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813799 358189687 /nfs/dbraw/zinc/18/96/87/358189687.db2.gz UDORJSCNEKYZOE-CYBMUJFWSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000584819896 358196257 /nfs/dbraw/zinc/19/62/57/358196257.db2.gz VNKIHCCMPVPDTD-UHFFFAOYSA-N 1 0 230.315 2.024 20 30 BEEDRO C[C@@H](O)CCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000450676256 202231922 /nfs/dbraw/zinc/23/19/22/202231922.db2.gz WYSODTJZNBQHFD-GFCCVEGCSA-N 1 0 244.338 2.298 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)CC[C@@H](C)O ZINC000450701389 202239048 /nfs/dbraw/zinc/23/90/48/202239048.db2.gz WMYFVTOBGOIKHQ-GFCCVEGCSA-N 1 0 223.316 2.081 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000055908670 363605134 /nfs/dbraw/zinc/60/51/34/363605134.db2.gz JGUQEQFTUKTDFC-AWEZNQCLSA-N 1 0 217.287 2.466 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](c1ccccc1)C1CC1 ZINC000292258051 535423226 /nfs/dbraw/zinc/42/32/26/535423226.db2.gz FIGGUJPUCFWROG-CYBMUJFWSA-N 1 0 231.343 2.104 20 30 BEEDRO CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)[NH+](C)C ZINC000124563863 358518282 /nfs/dbraw/zinc/51/82/82/358518282.db2.gz YFNUZIYTJSLITQ-ZDUSSCGKSA-N 1 0 245.326 2.031 20 30 BEEDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610970064 358416185 /nfs/dbraw/zinc/41/61/85/358416185.db2.gz VDAJQKHEGJZQCJ-GJZGRUSLSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000385492535 358442304 /nfs/dbraw/zinc/44/23/04/358442304.db2.gz QPBMOIWQFFXKTI-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000129187663 358584152 /nfs/dbraw/zinc/58/41/52/358584152.db2.gz ANKPPPPPBLGMNY-AWEZNQCLSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000126799470 358554427 /nfs/dbraw/zinc/55/44/27/358554427.db2.gz DWDRDWWQLYVOIR-QWRGUYRKSA-N 1 0 226.364 2.234 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)COC(C)(C)C ZINC000046342173 358575113 /nfs/dbraw/zinc/57/51/13/358575113.db2.gz FSIKXINGFVVBBA-GFCCVEGCSA-N 1 0 229.364 2.060 20 30 BEEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000128474252 358576117 /nfs/dbraw/zinc/57/61/17/358576117.db2.gz IHEOABDDXYHRDO-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000130450541 358626754 /nfs/dbraw/zinc/62/67/54/358626754.db2.gz WLWMXRWPHPFYCV-JTQLQIEISA-N 1 0 215.300 2.237 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnc(CC)s1 ZINC000131393339 358673265 /nfs/dbraw/zinc/67/32/65/358673265.db2.gz QMIURXWIVNNBLS-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)C[C@H]1CCOC1 ZINC000133408949 358754399 /nfs/dbraw/zinc/75/43/99/358754399.db2.gz FYAPEUZSERFPKG-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[N@@H+](CCOC)Cc1ccco1 ZINC000132493625 358724478 /nfs/dbraw/zinc/72/44/78/358724478.db2.gz XOMCJVWEMAMIQW-UHFFFAOYSA-N 1 0 209.289 2.304 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000052337773 358780096 /nfs/dbraw/zinc/78/00/96/358780096.db2.gz OIWOCQBPZXUNPD-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000052337775 358780143 /nfs/dbraw/zinc/78/01/43/358780143.db2.gz OIWOCQBPZXUNPD-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000176924307 134294841 /nfs/dbraw/zinc/29/48/41/134294841.db2.gz CIHJNGDOWYRXMA-UHFFFAOYSA-N 1 0 233.315 2.048 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1[C@H](C)CCC ZINC000135329269 358832115 /nfs/dbraw/zinc/83/21/15/358832115.db2.gz LHUKWUJSEBSSLJ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000564099152 358874923 /nfs/dbraw/zinc/87/49/23/358874923.db2.gz GFAQMMIQOVXDEW-UHTWSYAYSA-N 1 0 248.326 2.084 20 30 BEEDRO N#CC1(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000309596038 358881194 /nfs/dbraw/zinc/88/11/94/358881194.db2.gz UOIUVSQWRYQIRK-UHFFFAOYSA-N 1 0 212.296 2.047 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000640218978 358883828 /nfs/dbraw/zinc/88/38/28/358883828.db2.gz BUSJJJVGXIXKQQ-VXGBXAGGSA-N 1 0 217.316 2.110 20 30 BEEDRO N#CCSCCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180368 358928919 /nfs/dbraw/zinc/92/89/19/358928919.db2.gz FODGCGZQWRSXDD-UHFFFAOYSA-N 1 0 246.326 2.364 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000578335872 366524288 /nfs/dbraw/zinc/52/42/88/366524288.db2.gz UANZYSSFTHLJJS-CYBMUJFWSA-N 1 0 202.301 2.447 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnc2ccccn12 ZINC000237816584 358938909 /nfs/dbraw/zinc/93/89/09/358938909.db2.gz RMUZQUHWBIOSGH-UHFFFAOYSA-N 1 0 228.299 2.118 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H](C(C)C)CC1 ZINC000677817258 491138532 /nfs/dbraw/zinc/13/85/32/491138532.db2.gz JRFWFVBHZHWUOS-AWEZNQCLSA-N 1 0 223.360 2.394 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000069891027 359035320 /nfs/dbraw/zinc/03/53/20/359035320.db2.gz FKISAHGXQSHTFC-UPJWGTAASA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071300409 359074786 /nfs/dbraw/zinc/07/47/86/359074786.db2.gz HENYHTIEAMZHKG-HNNXBMFYSA-N 1 0 247.338 2.112 20 30 BEEDRO C=C(C)CN(CC)CC[NH+]1CCCCC1 ZINC000071809295 359081774 /nfs/dbraw/zinc/08/17/74/359081774.db2.gz CJFAMXYSZDTTBS-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000308851531 491138983 /nfs/dbraw/zinc/13/89/83/491138983.db2.gz OMSJSNFVJZXOSB-CHWSQXEVSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246735708 359160247 /nfs/dbraw/zinc/16/02/47/359160247.db2.gz GYLXPCMRBKSMKO-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCS[C@@H](CC)C1 ZINC000247659063 359239370 /nfs/dbraw/zinc/23/93/70/359239370.db2.gz XIFKAUALPYJGHH-RYUDHWBXSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)CCSC ZINC000247308573 359211918 /nfs/dbraw/zinc/21/19/18/359211918.db2.gz IDUSKCIVMMDDQI-RYUDHWBXSA-N 1 0 231.405 2.387 20 30 BEEDRO C[C@@H](CO)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611391567 359358128 /nfs/dbraw/zinc/35/81/28/359358128.db2.gz XWPFXNJKRRIWCG-ABAIWWIYSA-N 1 0 244.338 2.154 20 30 BEEDRO CC[C@H](CO)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390375 359358247 /nfs/dbraw/zinc/35/82/47/359358247.db2.gz WTQXJQIXOARMRQ-UKRRQHHQSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H](CCO)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393234 359358748 /nfs/dbraw/zinc/35/87/48/359358748.db2.gz QLENUHLRPGPSEH-IAQYHMDHSA-N 1 0 244.338 2.296 20 30 BEEDRO CN(CCOC(C)(C)C)CC1(C#N)CC1 ZINC000611430411 359368641 /nfs/dbraw/zinc/36/86/41/359368641.db2.gz JFDBULRPOXXIMX-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO COCC1([N@H+](C)CCC(C)(C)C#N)CC1 ZINC000611462785 359373395 /nfs/dbraw/zinc/37/33/95/359373395.db2.gz VYXBDYLBECKNGD-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccn1C)C(C)(C)C ZINC000290065277 359348621 /nfs/dbraw/zinc/34/86/21/359348621.db2.gz FNYWGKPKIMMTGX-LBPRGKRZSA-N 1 0 204.317 2.163 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccn1C)C(C)(C)C ZINC000290065272 359348824 /nfs/dbraw/zinc/34/88/24/359348824.db2.gz FNYWGKPKIMMTGX-GFCCVEGCSA-N 1 0 204.317 2.163 20 30 BEEDRO CCc1nn(C)cc1C[NH+]1CCC(C)(C#N)CC1 ZINC000611561336 359392852 /nfs/dbraw/zinc/39/28/52/359392852.db2.gz PHTHDFXPKBCMAD-UHFFFAOYSA-N 1 0 246.358 2.108 20 30 BEEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1ccccc1C#N ZINC000191254233 359547914 /nfs/dbraw/zinc/54/79/14/359547914.db2.gz LDUQKBCUYOLLCS-RYUDHWBXSA-N 1 0 244.338 2.292 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC12CCC2 ZINC000081563743 359605209 /nfs/dbraw/zinc/60/52/09/359605209.db2.gz UOZCPXVGQRQQEU-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccccc1 ZINC000309014974 491142439 /nfs/dbraw/zinc/14/24/39/491142439.db2.gz UAISNRPIHUFHOL-AAEUAGOBSA-N 1 0 205.301 2.274 20 30 BEEDRO COCC1([N@H+](C)Cc2ccc(CC#N)cc2)CC1 ZINC000612110806 359660159 /nfs/dbraw/zinc/66/01/59/359660159.db2.gz YHRBOVAEOJDXJP-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC001641550776 1172261800 /nfs/dbraw/zinc/26/18/00/1172261800.db2.gz RNVXMKHWQSVSBW-LBPRGKRZSA-N 1 0 219.332 2.176 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CC2CCOCC2)C1 ZINC000612161182 359711064 /nfs/dbraw/zinc/71/10/64/359711064.db2.gz OOCLTTFDAZGRRN-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO N#CC1(F)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450968923 202323316 /nfs/dbraw/zinc/32/33/16/202323316.db2.gz ABLKLFBSIASOCW-UHFFFAOYSA-N 1 0 232.249 2.359 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000578410406 366560058 /nfs/dbraw/zinc/56/00/58/366560058.db2.gz WBZHTZJKXNXZNP-LEWSCRJBSA-N 1 0 230.311 2.386 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H](CO)C1CCCC1 ZINC000352675896 366561443 /nfs/dbraw/zinc/56/14/43/366561443.db2.gz GRIHGMADWHXOPJ-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)C1CCSCC1 ZINC000309116238 491144997 /nfs/dbraw/zinc/14/49/97/491144997.db2.gz LQNNYIXPXFCIQC-NSHDSACASA-N 1 0 229.389 2.310 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000309134569 491145389 /nfs/dbraw/zinc/14/53/89/491145389.db2.gz RULMGMHOXHLWHD-XQQFMLRXSA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@](C)(F)C1 ZINC000451117814 202357247 /nfs/dbraw/zinc/35/72/47/202357247.db2.gz WGNIJFQZSMIJKU-GFCCVEGCSA-N 1 0 215.312 2.403 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)C1COC1 ZINC000451283382 202395323 /nfs/dbraw/zinc/39/53/23/202395323.db2.gz HHDCSLGMCBYLAP-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO CCN(CC#Cc1ccc(Cl)cc1)C1COC1 ZINC000451289887 202396867 /nfs/dbraw/zinc/39/68/67/202396867.db2.gz XHXWAPDOFZVHDU-UHFFFAOYSA-N 1 0 249.741 2.412 20 30 BEEDRO N#CCCN1CCC[C@@H](C(F)(F)F)C1 ZINC000087555898 359918036 /nfs/dbraw/zinc/91/80/36/359918036.db2.gz VFTIATATQDMENF-MRVPVSSYSA-N 1 0 206.211 2.174 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCO1 ZINC000087595277 359920241 /nfs/dbraw/zinc/92/02/41/359920241.db2.gz LSTDMNRNJDYHHY-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000087595279 359920255 /nfs/dbraw/zinc/92/02/55/359920255.db2.gz LSTDMNRNJDYHHY-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451255874 202390302 /nfs/dbraw/zinc/39/03/02/202390302.db2.gz DOUHZZQDGDDOKH-LSDHHAIUSA-N 1 0 249.329 2.363 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1ccccc1CC#N ZINC000578667371 366624708 /nfs/dbraw/zinc/62/47/08/366624708.db2.gz OFEPKQITEJOJEF-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO CC[C@@H]1CN(C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000578830244 366654478 /nfs/dbraw/zinc/65/44/78/366654478.db2.gz ARYKDNUWCMLHRH-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@@]12C[N@H+](CCOCCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451362154 202406183 /nfs/dbraw/zinc/40/61/83/202406183.db2.gz OUEWOKHQUQLLKJ-QPSCCSFWSA-N 1 0 246.354 2.061 20 30 BEEDRO N#Cc1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000057880375 359987677 /nfs/dbraw/zinc/98/76/77/359987677.db2.gz XGACDKDWXYBPDG-UHFFFAOYSA-N 1 0 225.295 2.294 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000306447892 360023800 /nfs/dbraw/zinc/02/38/00/360023800.db2.gz GGLILACSMLVVOA-DTWKUNHWSA-N 1 0 229.121 2.177 20 30 BEEDRO C=CCCOCC[NH2+]C1Cc2ccccc2C1 ZINC000090883522 360093029 /nfs/dbraw/zinc/09/30/29/360093029.db2.gz HEXONBBPCWEJIF-UHFFFAOYSA-N 1 0 231.339 2.336 20 30 BEEDRO CC(C)(C#N)CCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000090906180 360093938 /nfs/dbraw/zinc/09/39/38/360093938.db2.gz BVROYUJWEPWSNJ-TXEJJXNPSA-N 1 0 222.332 2.180 20 30 BEEDRO COC(=O)[C@H](C)C[N@H+](C)CC(C)(C)CCC#N ZINC000091987589 360143706 /nfs/dbraw/zinc/14/37/06/360143706.db2.gz GWMLLLQVOLCGET-LLVKDONJSA-N 1 0 240.347 2.057 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000092763807 360194928 /nfs/dbraw/zinc/19/49/28/360194928.db2.gz QUVJVOCCVHBVGK-CYBMUJFWSA-N 1 0 247.338 2.066 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1CC[C@H](CO)C1 ZINC000092763805 360195129 /nfs/dbraw/zinc/19/51/29/360195129.db2.gz QUVJVOCCVHBVGK-ZDUSSCGKSA-N 1 0 247.338 2.066 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)CC(C)(C)O ZINC000092981945 360209037 /nfs/dbraw/zinc/20/90/37/360209037.db2.gz FPKIWUSIRZJLJW-UHFFFAOYSA-N 1 0 231.339 2.131 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]CC(C)(C)O ZINC000096480986 360348854 /nfs/dbraw/zinc/34/88/54/360348854.db2.gz OUGBMCIEVWUEQQ-UHFFFAOYSA-N 1 0 235.327 2.112 20 30 BEEDRO 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201319609 /nfs/dbraw/zinc/31/96/09/201319609.db2.gz NMTIOHYSFQLPRL-GFJIZPEISA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](COC)C(C)C ZINC000436312958 201320322 /nfs/dbraw/zinc/32/03/22/201320322.db2.gz KWIBBPXYSCULII-IHRRRGAJSA-N 1 0 241.375 2.228 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000436311755 201320499 /nfs/dbraw/zinc/32/04/99/201320499.db2.gz UHJDYWMUDJRXOC-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000436302519 201321121 /nfs/dbraw/zinc/32/11/21/201321121.db2.gz AVYIHMWHFKESNZ-SCRDCRAPSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000436302518 201321602 /nfs/dbraw/zinc/32/16/02/201321602.db2.gz AVYIHMWHFKESNZ-OBJOEFQTSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nccn1C ZINC000436288773 201318266 /nfs/dbraw/zinc/31/82/66/201318266.db2.gz GVKPSPIQVARUEB-AGIUHOORSA-N 1 0 249.358 2.052 20 30 BEEDRO N#CCC[N@H+](CC[C@H]1CCOC1)CC1CC1 ZINC000438124157 201395704 /nfs/dbraw/zinc/39/57/04/201395704.db2.gz FQORBLGAPCXHMT-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000156069682 201395756 /nfs/dbraw/zinc/39/57/56/201395756.db2.gz STLNUCVXDLNHJP-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO Cc1ncc([C@@H](C)N(C)C[C@@H](C)C#N)c(C)n1 ZINC000614530689 363836200 /nfs/dbraw/zinc/83/62/00/363836200.db2.gz VRSWIWBKLRGFLA-GXSJLCMTSA-N 1 0 232.331 2.246 20 30 BEEDRO Cc1ncc([C@@H](C)N(C)C[C@H](C)C#N)c(C)n1 ZINC000614530695 363836489 /nfs/dbraw/zinc/83/64/89/363836489.db2.gz VRSWIWBKLRGFLA-MWLCHTKSSA-N 1 0 232.331 2.246 20 30 BEEDRO C=CCCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000161272980 363881823 /nfs/dbraw/zinc/88/18/23/363881823.db2.gz QFGOSLNZEYNACL-CQSZACIVSA-N 1 0 219.328 2.450 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@H](COC)CC1 ZINC000452076961 202524497 /nfs/dbraw/zinc/52/44/97/202524497.db2.gz CDSQNKMZLXJXEW-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000614605339 363909584 /nfs/dbraw/zinc/90/95/84/363909584.db2.gz VNBOQPDPICIVFH-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO C[C@]1(C#N)CCCN(CCC[NH+]2CCCCC2)C1 ZINC000614912403 364054490 /nfs/dbraw/zinc/05/44/90/364054490.db2.gz PCMOPLAWVCJQRR-OAHLLOKOSA-N 1 0 249.402 2.488 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000631716353 364093960 /nfs/dbraw/zinc/09/39/60/364093960.db2.gz KYTVFUWDOLKIIA-DJLDLDEBSA-N 1 0 225.254 2.242 20 30 BEEDRO C[C@@H](CO)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000614963043 364235731 /nfs/dbraw/zinc/23/57/31/364235731.db2.gz QWIDJXZBOZSRAM-NEPJUHHUSA-N 1 0 232.327 2.179 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC(=O)N1CCC[C@@H]1C ZINC000075617722 364358920 /nfs/dbraw/zinc/35/89/20/364358920.db2.gz VHZAFGZDCOPJIX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000135492317 364442562 /nfs/dbraw/zinc/44/25/62/364442562.db2.gz FQMPEWWQLRMNQA-WPRPVWTQSA-N 1 0 206.314 2.365 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000135511709 364443538 /nfs/dbraw/zinc/44/35/38/364443538.db2.gz OMUQPUORPYXGTQ-SECBINFHSA-N 1 0 204.248 2.361 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@@H](CO)SC ZINC000134923574 364418897 /nfs/dbraw/zinc/41/88/97/364418897.db2.gz ZCOLKLPTABTZIM-HBNTYKKESA-N 1 0 217.378 2.043 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000134919442 364418983 /nfs/dbraw/zinc/41/89/83/364418983.db2.gz AVRWMOFWDPZVOB-RYUDHWBXSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000134924360 364420150 /nfs/dbraw/zinc/42/01/50/364420150.db2.gz CTBWYURPIXEPJV-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000161311898 364470054 /nfs/dbraw/zinc/47/00/54/364470054.db2.gz KGTUGQAALSOMRJ-ZDUSSCGKSA-N 1 0 205.301 2.060 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000630718715 364500140 /nfs/dbraw/zinc/50/01/40/364500140.db2.gz RALHJIIMERBCCK-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000630749408 364534670 /nfs/dbraw/zinc/53/46/70/364534670.db2.gz QMXYJEXJJSRZOG-CHWSQXEVSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000630760906 364539575 /nfs/dbraw/zinc/53/95/75/364539575.db2.gz BDPCYOTYHFEOLW-STQMWFEESA-N 1 0 248.370 2.086 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453297091 202731787 /nfs/dbraw/zinc/73/17/87/202731787.db2.gz WGRKPQOTHMBALP-WYUUTHIRSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000453308014 202732165 /nfs/dbraw/zinc/73/21/65/202732165.db2.gz MLPXWIKUXJCTRB-LLVKDONJSA-N 1 0 236.363 2.204 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182022104 366860612 /nfs/dbraw/zinc/86/06/12/366860612.db2.gz CJEFMLIGCULJDX-NSHDSACASA-N 1 0 228.299 2.104 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000453361762 202748124 /nfs/dbraw/zinc/74/81/24/202748124.db2.gz PLJNLQOWYZSSCX-GDLCADMTSA-N 1 0 233.311 2.386 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC2(CCO2)CC1 ZINC000554563691 364688957 /nfs/dbraw/zinc/68/89/57/364688957.db2.gz LNCPCLYQJLPNNT-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CF ZINC000288523414 364673851 /nfs/dbraw/zinc/67/38/51/364673851.db2.gz UYXGBUGJTKLPGO-LLVKDONJSA-N 1 0 221.275 2.146 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615304253 364682411 /nfs/dbraw/zinc/68/24/11/364682411.db2.gz LAEDOFOCOYXFGC-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000290203271 364695851 /nfs/dbraw/zinc/69/58/51/364695851.db2.gz DENRRUCCEYIOKD-CYBMUJFWSA-N 1 0 217.337 2.263 20 30 BEEDRO Cc1ncncc1[C@@H](C)[NH2+]CCCCC#N ZINC000566473381 364716378 /nfs/dbraw/zinc/71/63/78/364716378.db2.gz AOLZCLPTEZQKLK-SNVBAGLBSA-N 1 0 218.304 2.130 20 30 BEEDRO C=CCCCC[N@H+]1CCN(C)CC1(C)C ZINC000573317980 364796810 /nfs/dbraw/zinc/79/68/10/364796810.db2.gz UKIUFWGLNNIIDH-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO Cc1ccncc1[C@H](C)[NH2+]CCCC#N ZINC000272881325 364753031 /nfs/dbraw/zinc/75/30/31/364753031.db2.gz VNUYTFUEDHTQRR-NSHDSACASA-N 1 0 203.289 2.344 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000289630094 364768653 /nfs/dbraw/zinc/76/86/53/364768653.db2.gz FCQFDOZMCIFHGO-WPRPVWTQSA-N 1 0 227.254 2.162 20 30 BEEDRO CC[NH+](CC)[C@@H](CNCCC#N)c1ccco1 ZINC000573914320 364944174 /nfs/dbraw/zinc/94/41/74/364944174.db2.gz ZZJFGDINNXETHB-LBPRGKRZSA-N 1 0 235.331 2.166 20 30 BEEDRO C=CCOc1cccc(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000573965699 364956239 /nfs/dbraw/zinc/95/62/39/364956239.db2.gz DXGVNCIOAOFEMT-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000383217697 541441528 /nfs/dbraw/zinc/44/15/28/541441528.db2.gz YPZBMORYCDJIBW-LBPRGKRZSA-N 1 0 238.306 2.464 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000574167989 365001480 /nfs/dbraw/zinc/00/14/80/365001480.db2.gz SMLZCOYUSRPXFU-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC[N@@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000574519781 365080663 /nfs/dbraw/zinc/08/06/63/365080663.db2.gz FXFORYAOIQLKCK-KBPBESRZSA-N 1 0 241.375 2.469 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000442793920 192990525 /nfs/dbraw/zinc/99/05/25/192990525.db2.gz QYXQSCYUFUXZOG-WCQYABFASA-N 1 0 230.311 2.217 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000253358567 325719363 /nfs/dbraw/zinc/71/93/63/325719363.db2.gz PROZCFLPRZIALH-SDDRHHMPSA-N 1 0 207.321 2.454 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H]1C ZINC000574766975 365140294 /nfs/dbraw/zinc/14/02/94/365140294.db2.gz YWSGFODIYIGSHT-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(C#N)cc1F ZINC000443510922 193023383 /nfs/dbraw/zinc/02/33/83/193023383.db2.gz NUVGKILMRFCHRT-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000444272767 193044142 /nfs/dbraw/zinc/04/41/42/193044142.db2.gz ZGRMNCCIHPEMEM-CYBMUJFWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@@H](C)CC ZINC000171952260 365261086 /nfs/dbraw/zinc/26/10/86/365261086.db2.gz NWNHTWUXCMKNAA-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+](C)C[C@H](C)CC ZINC000171952257 365261816 /nfs/dbraw/zinc/26/18/16/365261816.db2.gz NWNHTWUXCMKNAA-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO CCn1c2ccccc2nc1CC[NH2+]CCC#N ZINC000575916638 365411531 /nfs/dbraw/zinc/41/15/31/365411531.db2.gz SXXVTGMEOGXYOO-UHFFFAOYSA-N 1 0 242.326 2.102 20 30 BEEDRO CC1(C)C[N@H+](CCOCCC#N)[C@H]2CCC[C@@H]21 ZINC000339719907 365469214 /nfs/dbraw/zinc/46/92/14/365469214.db2.gz WQIVAEFHBFHMPL-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CCC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000575949337 365422937 /nfs/dbraw/zinc/42/29/37/365422937.db2.gz ODHNRHIFESIXCR-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO CC#CCC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000575949342 365423389 /nfs/dbraw/zinc/42/33/89/365423389.db2.gz ODHNRHIFESIXCR-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[NH2+]C1(c2ccccc2OC)CC1 ZINC000645998800 541461060 /nfs/dbraw/zinc/46/10/60/541461060.db2.gz ZHEAOMDUAWNMAT-UHFFFAOYSA-N 1 0 203.285 2.460 20 30 BEEDRO Cc1sccc1C[NH2+]C1CCN(CC#N)CC1 ZINC000590185522 541461173 /nfs/dbraw/zinc/46/11/73/541461173.db2.gz IYAFQBRHPPSCBR-UHFFFAOYSA-N 1 0 249.383 2.134 20 30 BEEDRO C[C@@H]1CCC[C@H]([N@H+](C)CCOCCC#N)C1 ZINC000338910068 365441818 /nfs/dbraw/zinc/44/18/18/365441818.db2.gz ASAXAKQGXJDQJO-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1CCC[C@@H]([N@H+](C)CCOCCC#N)C1 ZINC000338910069 365441892 /nfs/dbraw/zinc/44/18/92/365441892.db2.gz ASAXAKQGXJDQJO-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000338925797 365442253 /nfs/dbraw/zinc/44/22/53/365442253.db2.gz RBZYCQXGGIWWSM-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO CC1(C)CC[NH+](CCOCCC#N)CC1 ZINC000338957342 365443997 /nfs/dbraw/zinc/44/39/97/365443997.db2.gz ZFOJEZZUXLKGBW-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000339182661 365451434 /nfs/dbraw/zinc/45/14/34/365451434.db2.gz ABKXGTUHEPTJTH-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO CCCC[C@H](C)[N@H+](C)CCOCCC#N ZINC000339205035 365452126 /nfs/dbraw/zinc/45/21/26/365452126.db2.gz PNGXSRMXVOTKTO-LBPRGKRZSA-N 1 0 212.337 2.427 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)C[C@@H](C)OC ZINC000361560490 366950471 /nfs/dbraw/zinc/95/04/71/366950471.db2.gz FTPDJQOWHIPZFH-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CCCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000183142222 366979851 /nfs/dbraw/zinc/97/98/51/366979851.db2.gz KYJNNNRKVSXXGQ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000579709402 366986841 /nfs/dbraw/zinc/98/68/41/366986841.db2.gz RUUQEDDCKAAIDC-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCCSC[C@H]1CN(C)CCO1 ZINC000579836729 367039627 /nfs/dbraw/zinc/03/96/27/367039627.db2.gz SFZLEIYPDISAPA-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000183826578 367051855 /nfs/dbraw/zinc/05/18/55/367051855.db2.gz FHFSADXCVWHPGM-ZDUSSCGKSA-N 1 0 243.354 2.405 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCOc1ccc(F)cc1 ZINC000068614784 370820652 /nfs/dbraw/zinc/82/06/52/370820652.db2.gz DKTWUAHCPMUDOM-NSHDSACASA-N 1 0 236.290 2.486 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000581376769 367407797 /nfs/dbraw/zinc/40/77/97/367407797.db2.gz BZEXXIYMHBXPKE-QWHCGFSZSA-N 1 0 240.391 2.421 20 30 BEEDRO C#CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000381787530 367457711 /nfs/dbraw/zinc/45/77/11/367457711.db2.gz ZGLXLEGBOHBLHC-WDMOLILDSA-N 1 0 215.296 2.162 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000382599636 367546130 /nfs/dbraw/zinc/54/61/30/367546130.db2.gz QAWHVXHHTPCNSM-MCIONIFRSA-N 1 0 248.370 2.086 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000382365729 367512042 /nfs/dbraw/zinc/51/20/42/367512042.db2.gz BLDXDJKGQWCOHP-WDEREUQCSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001642381567 1172353663 /nfs/dbraw/zinc/35/36/63/1172353663.db2.gz QFNWQXQSKZNSEP-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC001642381570 1172354876 /nfs/dbraw/zinc/35/48/76/1172354876.db2.gz QFNWQXQSKZNSEP-RYUDHWBXSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000384874668 367748044 /nfs/dbraw/zinc/74/80/44/367748044.db2.gz RUBAOOLUYYJCET-NWDGAFQWSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000385027251 367773984 /nfs/dbraw/zinc/77/39/84/367773984.db2.gz JPQXUVAPNGLIOI-UHFFFAOYSA-N 1 0 204.273 2.453 20 30 BEEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000385045345 367778609 /nfs/dbraw/zinc/77/86/09/367778609.db2.gz RWGKODKYLMKQCV-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)nc1 ZINC000385176998 367805049 /nfs/dbraw/zinc/80/50/49/367805049.db2.gz MXPLFNMCISZKLV-UHFFFAOYSA-N 1 0 220.316 2.392 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC000385769530 367863011 /nfs/dbraw/zinc/86/30/11/367863011.db2.gz GNPJUYCDJNYBKN-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO Cc1ncc(C[NH2+]CC2CCC(C#N)CC2)cn1 ZINC000441349462 201547596 /nfs/dbraw/zinc/54/75/96/201547596.db2.gz FQIQVBUSLVXKAA-UHFFFAOYSA-N 1 0 244.342 2.205 20 30 BEEDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385953672 367890200 /nfs/dbraw/zinc/89/02/00/367890200.db2.gz NBAWVPDWPIRHHH-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000581930884 367955237 /nfs/dbraw/zinc/95/52/37/367955237.db2.gz AMBBDZGUMARWKO-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccoc1C(=O)OC ZINC000386667717 368007446 /nfs/dbraw/zinc/00/74/46/368007446.db2.gz FTFJCOLXSLCUIQ-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000386814924 368024080 /nfs/dbraw/zinc/02/40/80/368024080.db2.gz SLMLUJTVMXXSLN-UHFFFAOYSA-N 1 0 232.327 2.102 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccc(OC)n1 ZINC000386858358 368028376 /nfs/dbraw/zinc/02/83/76/368028376.db2.gz JDDZCNDUFSKWBN-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1nccnc1C ZINC000386897432 368032896 /nfs/dbraw/zinc/03/28/96/368032896.db2.gz OGZJPLVURCQWAD-JTQLQIEISA-N 1 0 205.305 2.402 20 30 BEEDRO C=C(C)CC[NH2+]C1CCN(C2CC2)CC1 ZINC000387333366 368157428 /nfs/dbraw/zinc/15/74/28/368157428.db2.gz DJVRICHLRKBUEI-UHFFFAOYSA-N 1 0 208.349 2.169 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000566408179 326040800 /nfs/dbraw/zinc/04/08/00/326040800.db2.gz YPMAAEHMZXTTQR-GHMZBOCLSA-N 1 0 226.364 2.078 20 30 BEEDRO C[C@@H](CN1CCC(C)CC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000582014054 368153599 /nfs/dbraw/zinc/15/35/99/368153599.db2.gz FYTZXJABAVZKPN-SOUVJXGZSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@@H](O)C(F)F ZINC000631697632 368239980 /nfs/dbraw/zinc/23/99/80/368239980.db2.gz NUXLGDBSQOTMIE-VHSXEESVSA-N 1 0 221.291 2.337 20 30 BEEDRO 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C=C[C@H](C(=O)OC)N1CCC[C@@H](C(C)C)C1 ZINC000619722166 369552981 /nfs/dbraw/zinc/55/29/81/369552981.db2.gz PHCZMKIKXGLAJC-VXGBXAGGSA-N 1 0 225.332 2.082 20 30 BEEDRO C[NH2+]C1CCN(Cc2ccc(C)c(C#N)c2)CC1 ZINC000600703053 369558300 /nfs/dbraw/zinc/55/83/00/369558300.db2.gz JWGCPEXDKUQLOW-UHFFFAOYSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1C#N ZINC000600708681 369558990 /nfs/dbraw/zinc/55/89/90/369558990.db2.gz DZSBBWYQXDLSDN-HNNXBMFYSA-N 1 0 243.354 2.037 20 30 BEEDRO C[NH2+][C@H]1CCCN(Cc2ccc(C)c(C#N)c2)C1 ZINC000600704853 369559532 /nfs/dbraw/zinc/55/95/32/369559532.db2.gz QNADGQBDAHCIGM-HNNXBMFYSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1ccc(CN2CC[C@H]([NH3+])C[C@@H]2C)cc1C#N ZINC000600711096 369561628 /nfs/dbraw/zinc/56/16/28/369561628.db2.gz QXFDDWSWFGUVED-WFASDCNBSA-N 1 0 243.354 2.178 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000619753528 369572837 /nfs/dbraw/zinc/57/28/37/369572837.db2.gz KZPPIEJZPGNVSQ-LSDHHAIUSA-N 1 0 247.386 2.143 20 30 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2.245 20 30 BEEDRO CC1(C)C[NH2+]CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000601969199 369729086 /nfs/dbraw/zinc/72/90/86/369729086.db2.gz AMLBUQNMNIFEIF-LLVKDONJSA-N 1 0 247.342 2.019 20 30 BEEDRO CC1(C)C[NH2+]CC[C@@H](Nc2cnccc2C#N)C1 ZINC000601985404 369731986 /nfs/dbraw/zinc/73/19/86/369731986.db2.gz VRDHAUUIYZXLQJ-GFCCVEGCSA-N 1 0 244.342 2.143 20 30 BEEDRO CC(C)C1([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602674845 369839754 /nfs/dbraw/zinc/83/97/54/369839754.db2.gz DYBBRLZAKKGRMZ-UHFFFAOYSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602520523 369806724 /nfs/dbraw/zinc/80/67/24/369806724.db2.gz HHIDDFIVPDODOW-WDEREUQCSA-N 1 0 217.316 2.477 20 30 BEEDRO COC1([C@H](C)[NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602689397 369839871 /nfs/dbraw/zinc/83/98/71/369839871.db2.gz GUVQEYMCDQCWBU-NSHDSACASA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602675869 369840129 /nfs/dbraw/zinc/84/01/29/369840129.db2.gz PEKJHYIUBCGKKZ-MNOVXSKESA-N 1 0 215.300 2.089 20 30 BEEDRO CSCCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602555281 369812358 /nfs/dbraw/zinc/81/23/58/369812358.db2.gz FGYSHFBBDTWJOK-UHFFFAOYSA-N 1 0 235.356 2.186 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(C#N)n2)CCCS1 ZINC000602567074 369813625 /nfs/dbraw/zinc/81/36/25/369813625.db2.gz HJMOVEYZYLWLOB-ZDUSSCGKSA-N 1 0 247.367 2.329 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CCCO1 ZINC000602578313 369816369 /nfs/dbraw/zinc/81/63/69/369816369.db2.gz CTODQDUXVRWNSQ-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO CC(C)CSCC[NH2+]Cc1cccc(C#N)n1 ZINC000602579284 369816402 /nfs/dbraw/zinc/81/64/02/369816402.db2.gz FJFFOAZLWFNSON-UHFFFAOYSA-N 1 0 249.383 2.432 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000620301661 369817209 /nfs/dbraw/zinc/81/72/09/369817209.db2.gz IIKQRTYNHDOZSU-YIYPIFLZSA-N 1 0 248.370 2.036 20 30 BEEDRO C[C@@H]1CCSCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602630530 369832175 /nfs/dbraw/zinc/83/21/75/369832175.db2.gz MMZQKJBIJDCCEI-LLVKDONJSA-N 1 0 247.367 2.281 20 30 BEEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602649082 369833696 /nfs/dbraw/zinc/83/36/96/369833696.db2.gz SJMQAWAVTMGYEH-NWDGAFQWSA-N 1 0 229.327 2.479 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602428240 369785663 /nfs/dbraw/zinc/78/56/63/369785663.db2.gz IMWCWNVSSPYVMC-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(C#N)c(F)c1 ZINC000305846889 369785900 /nfs/dbraw/zinc/78/59/00/369785900.db2.gz SUVQMGMGMKAZTA-SNVBAGLBSA-N 1 0 248.301 2.120 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602446434 369790196 /nfs/dbraw/zinc/79/01/96/369790196.db2.gz CJZCKZGZMYJALM-LLVKDONJSA-N 1 0 217.316 2.431 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@H]1C ZINC000602471337 369791936 /nfs/dbraw/zinc/79/19/36/369791936.db2.gz CFOLDZQIVCXDKC-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1cccc(C#N)n1 ZINC000602485710 369794911 /nfs/dbraw/zinc/79/49/11/369794911.db2.gz LWYXKSVUUQZMMG-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2CCCC2)n1 ZINC000602509114 369798121 /nfs/dbraw/zinc/79/81/21/369798121.db2.gz GNFMVHLPHLXFJI-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO CCC(CC)[NH2+]Cc1cccc(C#N)n1 ZINC000602504251 369799027 /nfs/dbraw/zinc/79/90/27/369799027.db2.gz OGMANZPQDZFWTR-UHFFFAOYSA-N 1 0 203.289 2.231 20 30 BEEDRO N#Cc1ccc(CC[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602705407 369844651 /nfs/dbraw/zinc/84/46/51/369844651.db2.gz LQEHJWIWFYINHK-HNNXBMFYSA-N 1 0 244.338 2.259 20 30 BEEDRO CC[C@@H](C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602711323 369846341 /nfs/dbraw/zinc/84/63/41/369846341.db2.gz RDOGKWHFUBLLLO-LLVKDONJSA-N 1 0 217.316 2.479 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CC2(F)F)n1 ZINC000602714865 369847345 /nfs/dbraw/zinc/84/73/45/369847345.db2.gz JSUAFBGNYVQHAX-SECBINFHSA-N 1 0 237.253 2.088 20 30 BEEDRO CCSC1(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602714747 369847559 /nfs/dbraw/zinc/84/75/59/369847559.db2.gz VQQMUWDHMMTYFO-UHFFFAOYSA-N 1 0 247.367 2.329 20 30 BEEDRO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000602758904 369848686 /nfs/dbraw/zinc/84/86/86/369848686.db2.gz JDQYTYYREMDHMZ-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO CCN(C#N)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000602806189 369852684 /nfs/dbraw/zinc/85/26/84/369852684.db2.gz PKYVFZNXMYBSLP-LBPRGKRZSA-N 1 0 242.326 2.012 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602699310 369842624 /nfs/dbraw/zinc/84/26/24/369842624.db2.gz PROFDIRMIKKEHX-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@@H]1CN(Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251868642 369979527 /nfs/dbraw/zinc/97/95/27/369979527.db2.gz UFQSZJQAMLYZFZ-IUODEOHRSA-N 1 0 243.354 2.117 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccccc2C#N)CC1(C)C ZINC000110718989 369965085 /nfs/dbraw/zinc/96/50/85/369965085.db2.gz HQLUUTYHUURBFB-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000568148028 326312959 /nfs/dbraw/zinc/31/29/59/326312959.db2.gz GOYNIACOQLJJRT-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000206204976 370097290 /nfs/dbraw/zinc/09/72/90/370097290.db2.gz DECAPZQFHBLBAW-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621156941 370128573 /nfs/dbraw/zinc/12/85/73/370128573.db2.gz LKLFBPDLIFRTDM-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccccc1C#N ZINC000063194526 370139671 /nfs/dbraw/zinc/13/96/71/370139671.db2.gz FNUWSXRYTZMVOP-IUODEOHRSA-N 1 0 243.354 2.260 20 30 BEEDRO C[C@@H](CC#N)NCc1cc(C#N)ccc1F ZINC000309741978 370252413 /nfs/dbraw/zinc/25/24/13/370252413.db2.gz HYSNDOOLUDJBSC-VIFPVBQESA-N 1 0 217.247 2.089 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCO[C@H]1CCCC[C@@H]1C ZINC000309757864 370255993 /nfs/dbraw/zinc/25/59/93/370255993.db2.gz LWVCWAOESBDDSL-XQQFMLRXSA-N 1 0 224.348 2.473 20 30 BEEDRO CN(Cc1ccco1)C[C@H](C#N)CCC#N ZINC000078316020 370549410 /nfs/dbraw/zinc/54/94/10/370549410.db2.gz HERXKLJRGQZAMR-NSHDSACASA-N 1 0 217.272 2.155 20 30 BEEDRO Cc1ccsc1C[NH+]1CCN(CCC#N)CC1 ZINC000078527296 370571494 /nfs/dbraw/zinc/57/14/94/370571494.db2.gz DASUYGZNTOUUGH-UHFFFAOYSA-N 1 0 249.383 2.088 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCOCC1CCCC1 ZINC000313293285 370574280 /nfs/dbraw/zinc/57/42/80/370574280.db2.gz IJWVBXWVNVDVBO-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)COc1ccccc1C ZINC000313497612 370591092 /nfs/dbraw/zinc/59/10/92/370591092.db2.gz DNQFQFREZZOUOL-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000378344980 371003983 /nfs/dbraw/zinc/00/39/83/371003983.db2.gz FVPGMGJQPNBNQS-UHFFFAOYSA-N 1 0 234.299 2.152 20 30 BEEDRO N#Cc1ccccc1CN1CCCC[C@@H]1CC[NH3+] ZINC000070149448 371011330 /nfs/dbraw/zinc/01/13/30/371011330.db2.gz XWJILWBXLNNMOB-OAHLLOKOSA-N 1 0 243.354 2.262 20 30 BEEDRO CC[NH+]1CCN([C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390183 371015214 /nfs/dbraw/zinc/01/52/14/371015214.db2.gz YEVDVNHGDGBELK-ZDUSSCGKSA-N 1 0 243.354 2.257 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000568651078 326371007 /nfs/dbraw/zinc/37/10/07/326371007.db2.gz HPVGICJSZNRFFB-KOLCDFICSA-N 1 0 205.305 2.400 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000623786733 371092983 /nfs/dbraw/zinc/09/29/83/371092983.db2.gz GLZYHAFVFDHVOC-RDBSUJKOSA-N 1 0 222.376 2.415 20 30 BEEDRO CN(Cc1ccccc1C#N)C[C@@H]1CCC[N@@H+]1C ZINC000092628445 371106446 /nfs/dbraw/zinc/10/64/46/371106446.db2.gz GXXSSZHNPCNJSF-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623920738 371152698 /nfs/dbraw/zinc/15/26/98/371152698.db2.gz WNBDOSZKYCHAMF-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000389994217 371184573 /nfs/dbraw/zinc/18/45/73/371184573.db2.gz PTGIPJIGTRCXOS-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623959019 371197029 /nfs/dbraw/zinc/19/70/29/371197029.db2.gz DKINGIALPMOXOA-VHSXEESVSA-N 1 0 226.345 2.039 20 30 BEEDRO CC[NH+]1CCC(NCc2cc(C#N)cs2)CC1 ZINC000093492158 371174287 /nfs/dbraw/zinc/17/42/87/371174287.db2.gz WMZHSJIDICYQDX-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cnnn1CC ZINC000624026660 371258473 /nfs/dbraw/zinc/25/84/73/371258473.db2.gz MQGCFFWSEMLPFK-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C[NH+](C)C1(CNc2cc(F)ccc2C#N)CC1 ZINC001642823589 1172409029 /nfs/dbraw/zinc/40/90/29/1172409029.db2.gz KYOTWNMXJMIZAO-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccco1 ZINC000624132065 371333860 /nfs/dbraw/zinc/33/38/60/371333860.db2.gz DWRXVUIHXKFEJE-IJLUTSLNSA-N 1 0 248.326 2.140 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624218794 371407835 /nfs/dbraw/zinc/40/78/35/371407835.db2.gz BFGHCARZALVOGR-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO CCCC[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000042223148 168813985 /nfs/dbraw/zinc/81/39/85/168813985.db2.gz MHSYLIKPWIKNPJ-UHFFFAOYSA-N 1 0 232.327 2.153 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624258929 371445301 /nfs/dbraw/zinc/44/53/01/371445301.db2.gz YHCGPGXJBARAHC-WDEREUQCSA-N 1 0 220.316 2.478 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000125997914 371469742 /nfs/dbraw/zinc/46/97/42/371469742.db2.gz XDOKQPJOKQBHAP-QWHCGFSZSA-N 1 0 238.375 2.210 20 30 BEEDRO C=CCCN(C)Cc1nccn1C(F)F ZINC000157163642 371530184 /nfs/dbraw/zinc/53/01/84/371530184.db2.gz OOUSWLWNOLZCDM-UHFFFAOYSA-N 1 0 215.247 2.286 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000161953761 371594537 /nfs/dbraw/zinc/59/45/37/371594537.db2.gz IRHRLPOYPLWVLZ-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000602721867 371831751 /nfs/dbraw/zinc/83/17/51/371831751.db2.gz XQYPEOBTZADZCM-FRRDWIJNSA-N 1 0 241.338 2.479 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000602721869 371832152 /nfs/dbraw/zinc/83/21/52/371832152.db2.gz XQYPEOBTZADZCM-UPJWGTAASA-N 1 0 241.338 2.479 20 30 BEEDRO CCC[C@H](C[NH2+]Cc1cccc(C#N)n1)OCC ZINC000602721286 371832593 /nfs/dbraw/zinc/83/25/93/371832593.db2.gz PIGSVSCSDDLBRA-CQSZACIVSA-N 1 0 247.342 2.248 20 30 BEEDRO CC[C@@]1(O)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000602738271 371836582 /nfs/dbraw/zinc/83/65/82/371836582.db2.gz DEEGHBFPVKBBPT-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)C(F)F)C1CC1 ZINC000631699711 371842461 /nfs/dbraw/zinc/84/24/61/371842461.db2.gz JYFPFJAZUUWILA-WDEREUQCSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631626971 372469719 /nfs/dbraw/zinc/46/97/19/372469719.db2.gz STONABHHYZGHQN-AVGNSLFASA-N 1 0 221.344 2.500 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631672127 372498414 /nfs/dbraw/zinc/49/84/14/372498414.db2.gz JWFIGQJENUUFQU-MQYQWHSLSA-N 1 0 223.360 2.482 20 30 BEEDRO Cc1cc(N(C)CCCC[NH+](C)C)ncc1C#N ZINC001643130401 1172438259 /nfs/dbraw/zinc/43/82/59/1172438259.db2.gz WHBQODKGAVUPLV-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000182079464 205667903 /nfs/dbraw/zinc/66/79/03/205667903.db2.gz ZXCPVBYDRJJQAE-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000040773525 373700324 /nfs/dbraw/zinc/70/03/24/373700324.db2.gz IBKHIMYOTGPKDV-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCC12CCCC2 ZINC000189219645 205854429 /nfs/dbraw/zinc/85/44/29/205854429.db2.gz LLEWHEYFOJHPEE-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000190918888 205921294 /nfs/dbraw/zinc/92/12/94/205921294.db2.gz FBCDBCVOBVNUPY-UWVGGRQHSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccc(C#N)cc1 ZINC000041119096 374112132 /nfs/dbraw/zinc/11/21/32/374112132.db2.gz OKIISZFJYLEYEM-GFCCVEGCSA-N 1 0 240.310 2.106 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccccc2O)o1 ZINC000174333543 374182241 /nfs/dbraw/zinc/18/22/41/374182241.db2.gz NKJAEVBBCAIBJN-UHFFFAOYSA-N 1 0 242.278 2.189 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCOC(F)F)C1 ZINC000194033080 205999885 /nfs/dbraw/zinc/99/98/85/205999885.db2.gz LWAMVSYPQMYYEM-VHSXEESVSA-N 1 0 232.274 2.288 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CCCSCC#N ZINC000181455953 206009860 /nfs/dbraw/zinc/00/98/60/206009860.db2.gz DLIAXRYOXGUWNR-LLVKDONJSA-N 1 0 244.404 2.020 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000426564207 206050572 /nfs/dbraw/zinc/05/05/72/206050572.db2.gz CAAJXTKTUKLZAX-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCOC1 ZINC000426564208 206053023 /nfs/dbraw/zinc/05/30/23/206053023.db2.gz CAAJXTKTUKLZAX-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592707 206108565 /nfs/dbraw/zinc/10/85/65/206108565.db2.gz AHCJRHSEXNDXKJ-ZIAGYGMSSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000451594195 206108733 /nfs/dbraw/zinc/10/87/33/206108733.db2.gz APXYYMWMHHAOSX-KGLIPLIRSA-N 1 0 246.285 2.130 20 30 BEEDRO C[C@@H](O)C[C@@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000165165219 206139118 /nfs/dbraw/zinc/13/91/18/206139118.db2.gz MUPHALSJLSCWCC-NXEZZACHSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000167403617 206143947 /nfs/dbraw/zinc/14/39/47/206143947.db2.gz TXMIZKLDGWJEEA-LBPRGKRZSA-N 1 0 222.376 2.415 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CCNC(C)=O ZINC000059090320 1172505458 /nfs/dbraw/zinc/50/54/58/1172505458.db2.gz OMIZOBZVCSOZKT-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO CCC[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000120728575 169081983 /nfs/dbraw/zinc/08/19/83/169081983.db2.gz GIKCTCJMLCXDBH-UHFFFAOYSA-N 1 0 218.300 2.409 20 30 BEEDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000037098388 169085353 /nfs/dbraw/zinc/08/53/53/169085353.db2.gz IGTVNSAIZDHKCY-NSHDSACASA-N 1 0 245.326 2.227 20 30 BEEDRO O[C@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000176979472 183233993 /nfs/dbraw/zinc/23/39/93/183233993.db2.gz CIYLKBIJVMANMQ-AWEZNQCLSA-N 1 0 249.741 2.148 20 30 BEEDRO CCCN(Cc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071314729 169175828 /nfs/dbraw/zinc/17/58/28/169175828.db2.gz RQVPSPJPTOOODT-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO CCC[NH+]1CCC(N2CCC[C@H](C#N)C2)CC1 ZINC000020541376 169187205 /nfs/dbraw/zinc/18/72/05/169187205.db2.gz VOKULGUKANHPOT-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO CCC[C@@H](C[NH2+]Cc1cccc(C#N)c1)OC ZINC000293818868 169384482 /nfs/dbraw/zinc/38/44/82/169384482.db2.gz ZNUASZZXCCVTRF-AWEZNQCLSA-N 1 0 232.327 2.463 20 30 BEEDRO COC[C@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000179374154 134316440 /nfs/dbraw/zinc/31/64/40/134316440.db2.gz ILVQWXAHUNEHQA-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CO[C@@H]1C[N@H+](CCC(C)(C)C#N)CC[C@@H]1C ZINC000221133820 134317126 /nfs/dbraw/zinc/31/71/26/134317126.db2.gz OHJYWFSXPGXXGW-NWDGAFQWSA-N 1 0 224.348 2.283 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H](C)C(N)=O ZINC000059321910 1172528995 /nfs/dbraw/zinc/52/89/95/1172528995.db2.gz HXDOHMKKQFQQSX-QWRGUYRKSA-N 1 0 214.353 2.199 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000181333340 134335534 /nfs/dbraw/zinc/33/55/34/134335534.db2.gz QEHKICYCWWUYRI-UHFFFAOYSA-N 1 0 223.272 2.074 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000181297881 134335359 /nfs/dbraw/zinc/33/53/59/134335359.db2.gz LQRGXGARMMGBRZ-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001644370636 1172550819 /nfs/dbraw/zinc/55/08/19/1172550819.db2.gz BKXSBOQOPPPXLZ-STQMWFEESA-N 1 0 244.342 2.348 20 30 BEEDRO COCC#CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC001644501553 1172565343 /nfs/dbraw/zinc/56/53/43/1172565343.db2.gz YZRNPYTVAOSTHB-MRXNPFEDSA-N 1 0 245.366 2.493 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001644718759 1172596742 /nfs/dbraw/zinc/59/67/42/1172596742.db2.gz YKTRWXVOGLJUBH-LBPRGKRZSA-N 1 0 238.375 2.282 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001644985719 1172624540 /nfs/dbraw/zinc/62/45/40/1172624540.db2.gz HOJVKFZIINVOLY-ZJUUUORDSA-N 1 0 214.259 2.267 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000298581110 532983750 /nfs/dbraw/zinc/98/37/50/532983750.db2.gz RAIFOWFLVBTZMO-AWEZNQCLSA-N 1 0 231.339 2.454 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC001644997117 1172627240 /nfs/dbraw/zinc/62/72/40/1172627240.db2.gz WBAYMYMLLIGYEH-XQQFMLRXSA-N 1 0 209.333 2.024 20 30 BEEDRO Cn1cc(C[N@H+](C)CCCC(C)(C)C#N)cn1 ZINC000087608557 383853114 /nfs/dbraw/zinc/85/31/14/383853114.db2.gz ZFOWANOEBKVWPJ-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO COc1ccc(CN(C)[C@@H](C)CC#N)cc1C#N ZINC000087829079 383871278 /nfs/dbraw/zinc/87/12/78/383871278.db2.gz FEWMPHYSWKPUCF-NSHDSACASA-N 1 0 243.310 2.301 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000298546427 383914871 /nfs/dbraw/zinc/91/48/71/383914871.db2.gz NPXFVWKLULJYNO-HOTGVXAUSA-N 1 0 243.350 2.425 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCOC1 ZINC000178337037 383916720 /nfs/dbraw/zinc/91/67/20/383916720.db2.gz QLLJEHUWECTIJX-GFCCVEGCSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000116926845 383933856 /nfs/dbraw/zinc/93/38/56/383933856.db2.gz SSXNAXVALBGPKK-NSHDSACASA-N 1 0 232.327 2.100 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000186697615 383900076 /nfs/dbraw/zinc/90/00/76/383900076.db2.gz WWRKMZNSVIHDOS-STQMWFEESA-N 1 0 248.370 2.340 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000186697669 383900581 /nfs/dbraw/zinc/90/05/81/383900581.db2.gz WWRKMZNSVIHDOS-CHWSQXEVSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647214889 383996599 /nfs/dbraw/zinc/99/65/99/383996599.db2.gz WFQVIZSBIYWIMO-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO CC[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000037704647 383997220 /nfs/dbraw/zinc/99/72/20/383997220.db2.gz LSZSHMMUJCTXFP-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCCO1 ZINC000348195732 383936627 /nfs/dbraw/zinc/93/66/27/383936627.db2.gz XYHGYZLEHASSEC-IUODEOHRSA-N 1 0 244.338 2.410 20 30 BEEDRO Cn1cc(C[NH+]2CC(C(C)(C)C)C2)cc1C#N ZINC000334783242 383954074 /nfs/dbraw/zinc/95/40/74/383954074.db2.gz SQRQUEZCHSCGAX-UHFFFAOYSA-N 1 0 231.343 2.375 20 30 BEEDRO CC(F)(F)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449353784 383955499 /nfs/dbraw/zinc/95/54/99/383955499.db2.gz GOSPZEJGSNGUMW-DTWKUNHWSA-N 1 0 202.248 2.314 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccsc1 ZINC000186706144 383957436 /nfs/dbraw/zinc/95/74/36/383957436.db2.gz PSPNZVWFOKBWME-ONGXEEELSA-N 1 0 211.330 2.336 20 30 BEEDRO Cc1cc(CN2CCO[C@@H](CF)C2)ccc1C#N ZINC000334830971 383962337 /nfs/dbraw/zinc/96/23/37/383962337.db2.gz VHUMDEKXKFUTRX-AWEZNQCLSA-N 1 0 248.301 2.037 20 30 BEEDRO CN(C)C1(C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000097927825 384044400 /nfs/dbraw/zinc/04/44/00/384044400.db2.gz YGPMYQHCABYBFP-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO C[N@H+](CCOc1cccc(C#N)c1)C1CCC1 ZINC000135415824 384046012 /nfs/dbraw/zinc/04/60/12/384046012.db2.gz ADPXIYMXPPGSFC-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc(C#N)nc1 ZINC000289120595 384029211 /nfs/dbraw/zinc/02/92/11/384029211.db2.gz QSUFJMCKAMZRBE-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C#CCCCC[NH2+]Cc1ncc(C)s1 ZINC000295653299 533034730 /nfs/dbraw/zinc/03/47/30/533034730.db2.gz IVYXQILRJTVJSL-UHFFFAOYSA-N 1 0 208.330 2.345 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccco2)C1 ZINC000185755625 134394167 /nfs/dbraw/zinc/39/41/67/134394167.db2.gz WBZYSRYAUPXUNT-QWRGUYRKSA-N 1 0 204.273 2.452 20 30 BEEDRO C#CCCN(C)CC(=O)Nc1cccc(C)c1C ZINC000299242117 384153136 /nfs/dbraw/zinc/15/31/36/384153136.db2.gz UYLCJIYEUDCSFT-UHFFFAOYSA-N 1 0 244.338 2.197 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCC[C@H]1C(=O)OC ZINC000309593753 384157587 /nfs/dbraw/zinc/15/75/87/384157587.db2.gz VPDKCVYPBYTRSI-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)c1 ZINC000186987460 384142985 /nfs/dbraw/zinc/14/29/85/384142985.db2.gz IMPNAXIONXVHFD-RBSFLKMASA-N 1 0 242.322 2.215 20 30 BEEDRO CC[N@H+](CCC#N)CCC1(OC)CCC1 ZINC000310457159 384173148 /nfs/dbraw/zinc/17/31/48/384173148.db2.gz DHMXLGCYHMCJNS-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CC(C)(CCCO)C[NH2+]Cc1ccc(C#N)o1 ZINC000221375245 384159712 /nfs/dbraw/zinc/15/97/12/384159712.db2.gz ILLQJMAJXJSLEE-UHFFFAOYSA-N 1 0 236.315 2.040 20 30 BEEDRO Cc1ccnc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1C#N ZINC000135197388 384176095 /nfs/dbraw/zinc/17/60/95/384176095.db2.gz NFNSPEXWTGGBMJ-RYUDHWBXSA-N 1 0 244.342 2.062 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2cnccc2C#N)C1 ZINC000135602527 384194747 /nfs/dbraw/zinc/19/47/47/384194747.db2.gz NCXBTOKGCXNCAZ-GFCCVEGCSA-N 1 0 244.342 2.095 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000313140759 384237702 /nfs/dbraw/zinc/23/77/02/384237702.db2.gz HUFPTJZTNCXFCF-KBPBESRZSA-N 1 0 232.327 2.197 20 30 BEEDRO CC[N@H+](C)CCNc1cccc(F)c1C#N ZINC000082367236 384210903 /nfs/dbraw/zinc/21/09/03/384210903.db2.gz NDWKIAJMUITWFY-UHFFFAOYSA-N 1 0 221.279 2.061 20 30 BEEDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000097439406 384213022 /nfs/dbraw/zinc/21/30/22/384213022.db2.gz KCYJSPDLSKZYML-RYUDHWBXSA-N 1 0 232.327 2.227 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc(C#N)c1 ZINC000097439408 384213358 /nfs/dbraw/zinc/21/33/58/384213358.db2.gz KCYJSPDLSKZYML-NWDGAFQWSA-N 1 0 232.327 2.227 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000187379016 384228041 /nfs/dbraw/zinc/22/80/41/384228041.db2.gz VEITZCOTUOCULI-ZFWWWQNUSA-N 1 0 233.355 2.392 20 30 BEEDRO CC(C)CC[NH2+]Cc1nc(C#N)cs1 ZINC000336673198 384251434 /nfs/dbraw/zinc/25/14/34/384251434.db2.gz ATVNWSMACOOIHQ-UHFFFAOYSA-N 1 0 209.318 2.150 20 30 BEEDRO C=CCCCn1cc2c(n1)[C@@H]([NH3+])CCC2 ZINC000644167828 384254348 /nfs/dbraw/zinc/25/43/48/384254348.db2.gz ZWZDGCBILNIRAO-NSHDSACASA-N 1 0 205.305 2.185 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H](CO)C(C)(C)C ZINC000134399034 384256505 /nfs/dbraw/zinc/25/65/05/384256505.db2.gz SSHZUYASJSATIM-CQSZACIVSA-N 1 0 246.354 2.397 20 30 BEEDRO CC[C@H](CC#N)NC(=O)Nc1ccnc(C)c1 ZINC000158603634 384266006 /nfs/dbraw/zinc/26/60/06/384266006.db2.gz SGJUCIWIRXCSKU-SNVBAGLBSA-N 1 0 232.287 2.204 20 30 BEEDRO C[N@H+](Cc1cc(C#N)ccc1F)[C@@H]1CCC[C@H]1O ZINC000286354276 384280372 /nfs/dbraw/zinc/28/03/72/384280372.db2.gz FRAXHEGJMJSBMS-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335424839 384284445 /nfs/dbraw/zinc/28/44/45/384284445.db2.gz SXGPZNGXXGKTJJ-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000335545700 384300697 /nfs/dbraw/zinc/30/06/97/384300697.db2.gz YDVLHHUAIZIDGG-SWLSCSKDSA-N 1 0 244.338 2.009 20 30 BEEDRO CN(CCCCC#N)Cc1nccn1C(F)F ZINC000076032153 384354026 /nfs/dbraw/zinc/35/40/26/384354026.db2.gz DJRRHTZBQFTEEH-UHFFFAOYSA-N 1 0 242.273 2.404 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@]23C[C@@H]2CCCC3)n1 ZINC000602730644 384361159 /nfs/dbraw/zinc/36/11/59/384361159.db2.gz CWCOSBJWUISIQF-FZMZJTMJSA-N 1 0 227.311 2.376 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)OC ZINC000310497294 384365544 /nfs/dbraw/zinc/36/55/44/384365544.db2.gz QCGJRUFPEBHXER-LBPRGKRZSA-N 1 0 236.290 2.212 20 30 BEEDRO C=CCOCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625653688 384368156 /nfs/dbraw/zinc/36/81/56/384368156.db2.gz SSTHDJQRYJWMPF-QWRGUYRKSA-N 1 0 233.302 2.412 20 30 BEEDRO COC(=O)C1([N@H+](C)CCCCC#N)CCCC1 ZINC000159284400 384369234 /nfs/dbraw/zinc/36/92/34/384369234.db2.gz DZYRRHRPFSYUPE-UHFFFAOYSA-N 1 0 238.331 2.098 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000134465599 384331131 /nfs/dbraw/zinc/33/11/31/384331131.db2.gz KLCIYTGSLBNWAE-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562652270 384405128 /nfs/dbraw/zinc/40/51/28/384405128.db2.gz JMFLULCOJOOUCY-GDNZZTSVSA-N 1 0 229.389 2.451 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000313477048 384414380 /nfs/dbraw/zinc/41/43/80/384414380.db2.gz BHUJMGYNTVWLHN-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCC[C@H]1O ZINC000248906648 384417142 /nfs/dbraw/zinc/41/71/42/384417142.db2.gz WQJAMEAYNNJBNB-JKSUJKDBSA-N 1 0 243.350 2.131 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000235509344 384419557 /nfs/dbraw/zinc/41/95/57/384419557.db2.gz JVQITQJKMUXURL-NJZAAPMLSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCCC(=O)NCC1CC[NH+](CCC)CC1 ZINC000102345769 384420262 /nfs/dbraw/zinc/42/02/62/384420262.db2.gz HKZBGHWYPZVJOI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn2ccccc2n1 ZINC000313490360 384421451 /nfs/dbraw/zinc/42/14/51/384421451.db2.gz VFGNQPCFTGRDET-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1nccnc1C ZINC000188277561 384375770 /nfs/dbraw/zinc/37/57/70/384375770.db2.gz WETHOHGOMWSABY-GFCCVEGCSA-N 1 0 235.331 2.028 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000362936040 384376779 /nfs/dbraw/zinc/37/67/79/384376779.db2.gz SPWHYJJJLWNUIN-LBPRGKRZSA-N 1 0 232.327 2.333 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000566406511 384386094 /nfs/dbraw/zinc/38/60/94/384386094.db2.gz LDLWPXIQMAXFAX-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162461 384387826 /nfs/dbraw/zinc/38/78/26/384387826.db2.gz KEGLQPRZUFEBTD-SKDRFNHKSA-N 1 0 238.356 2.116 20 30 BEEDRO N#CCC[C@H](C#N)C[NH+]1CCCCCC1 ZINC000078316153 384439383 /nfs/dbraw/zinc/43/93/83/384439383.db2.gz OGANXTWOVBIGDR-GFCCVEGCSA-N 1 0 205.305 2.306 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ncnn1C(C)C ZINC000385210739 384465389 /nfs/dbraw/zinc/46/53/89/384465389.db2.gz QISCKVFPUOWKEJ-UHFFFAOYSA-N 1 0 222.336 2.161 20 30 BEEDRO CNC(=[NH2+])NCc1ccc(C(C)(C)C)cc1 ZINC000161529171 384499184 /nfs/dbraw/zinc/49/91/84/384499184.db2.gz DZVSPCWNJWDJDC-UHFFFAOYSA-N 1 0 219.332 2.018 20 30 BEEDRO Cc1cc(C)c(CNC(=[NH2+])NC2CC2)c(C)c1 ZINC000161526405 384500293 /nfs/dbraw/zinc/50/02/93/384500293.db2.gz JTEBVLSWHGIUSV-UHFFFAOYSA-N 1 0 231.343 2.179 20 30 BEEDRO C=C(C)CC[N@@H+](C)Cc1cnn(C)c1C ZINC000556819272 384505578 /nfs/dbraw/zinc/50/55/78/384505578.db2.gz RWXPHSARTPVZGT-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000449549172 384511972 /nfs/dbraw/zinc/51/19/72/384511972.db2.gz VIPIHMPXGYPXJX-SZWGIHMLSA-N 1 0 244.338 2.418 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CC)cc1 ZINC000037705607 384510208 /nfs/dbraw/zinc/51/02/08/384510208.db2.gz DZQUVBOUNZGUEN-NSHDSACASA-N 1 0 203.285 2.369 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176724 384486941 /nfs/dbraw/zinc/48/69/41/384486941.db2.gz UMLPOTKJKWBIFX-VIFPVBQESA-N 1 0 206.245 2.431 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000378507228 533069153 /nfs/dbraw/zinc/06/91/53/533069153.db2.gz FLEPLKSXZJLFTR-LSDHHAIUSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000370728890 533069231 /nfs/dbraw/zinc/06/92/31/533069231.db2.gz FFNRFJUIHQFSDH-CABCVRRESA-N 1 0 246.329 2.184 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCCO1 ZINC000334416766 384494652 /nfs/dbraw/zinc/49/46/52/384494652.db2.gz OIASOZOBFOXXEC-CYBMUJFWSA-N 1 0 244.338 2.363 20 30 BEEDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315558 384536269 /nfs/dbraw/zinc/53/62/69/384536269.db2.gz IZBYOWGJLASTBK-YMTOWFKASA-N 1 0 247.317 2.085 20 30 BEEDRO C[C@H]([NH2+]Cc1ccccc1C#N)C1CCOCC1 ZINC000179095751 384521407 /nfs/dbraw/zinc/52/14/07/384521407.db2.gz GJJOGVSTDONDJY-LBPRGKRZSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CCCCC[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000517855250 384532423 /nfs/dbraw/zinc/53/24/23/384532423.db2.gz DOBKHJALZXNCDU-WFASDCNBSA-N 1 0 229.389 2.043 20 30 BEEDRO C#CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000490949033 384532792 /nfs/dbraw/zinc/53/27/92/384532792.db2.gz IAXFCMUBYMPPHM-UHFFFAOYSA-N 1 0 247.363 2.245 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000309585431 384569181 /nfs/dbraw/zinc/56/91/81/384569181.db2.gz SABYWSRFSFNTSB-NSHDSACASA-N 1 0 218.304 2.071 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000080626694 384572039 /nfs/dbraw/zinc/57/20/39/384572039.db2.gz RQSJWEGZAYUPJQ-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO C=CCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000183726893 384573956 /nfs/dbraw/zinc/57/39/56/384573956.db2.gz WTUQXXCWNCWTMS-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO N#CCC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000517925955 384573976 /nfs/dbraw/zinc/57/39/76/384573976.db2.gz RATKIDKBQUDUJE-KBPBESRZSA-N 1 0 230.311 2.410 20 30 BEEDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423463543 384574307 /nfs/dbraw/zinc/57/43/07/384574307.db2.gz LHOHFEFGEIGQEM-CABZTGNLSA-N 1 0 235.306 2.085 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000517926863 384574460 /nfs/dbraw/zinc/57/44/60/384574460.db2.gz VEJIPWCCDOOHIP-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309595107 384590694 /nfs/dbraw/zinc/59/06/94/384590694.db2.gz VYYPMVBLWJXARM-RWMBFGLXSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361435184 384566760 /nfs/dbraw/zinc/56/67/60/384566760.db2.gz KDWYJZNYSYVDBK-COMQUAJESA-N 1 0 247.386 2.141 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647184204 384603370 /nfs/dbraw/zinc/60/33/70/384603370.db2.gz NUTHZVIIXCNZHQ-GFCCVEGCSA-N 1 0 242.326 2.322 20 30 BEEDRO C=CCCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000117870562 384609888 /nfs/dbraw/zinc/60/98/88/384609888.db2.gz PKJVUOQJZNKVPW-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000171654202 384625953 /nfs/dbraw/zinc/62/59/53/384625953.db2.gz BCZJASUBGSFVHS-UHFFFAOYSA-N 1 0 207.321 2.045 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC000401451274 384592871 /nfs/dbraw/zinc/59/28/71/384592871.db2.gz AFXUYFNJGUQJHK-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCCC[C@H]1CC ZINC000401451271 384593053 /nfs/dbraw/zinc/59/30/53/384593053.db2.gz AFXUYFNJGUQJHK-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CCCc1cnccc1C ZINC000310042045 384600368 /nfs/dbraw/zinc/60/03/68/384600368.db2.gz ZEFJMIOJLJOMTQ-AWEZNQCLSA-N 1 0 216.328 2.324 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000309862416 384673786 /nfs/dbraw/zinc/67/37/86/384673786.db2.gz NDMMUBOQIAYIKJ-MRXNPFEDSA-N 1 0 237.368 2.480 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@H](O)c1ccc(C#N)cc1 ZINC000135278848 384635150 /nfs/dbraw/zinc/63/51/50/384635150.db2.gz BWPCSUITZWHSBJ-HNNXBMFYSA-N 1 0 244.338 2.324 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cc(OC)ccc1OC ZINC000491774446 384646658 /nfs/dbraw/zinc/64/66/58/384646658.db2.gz CWWXRNPVVAYRGU-NSHDSACASA-N 1 0 233.311 2.157 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491774727 384648256 /nfs/dbraw/zinc/64/82/56/384648256.db2.gz AULCEPCSFYPBGQ-UKRRQHHQSA-N 1 0 245.366 2.495 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(C#N)cc1 ZINC000135306247 384687407 /nfs/dbraw/zinc/68/74/07/384687407.db2.gz FTBDAHOYXKXLDX-COPLHBTASA-N 1 0 230.311 2.386 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000491785619 384692761 /nfs/dbraw/zinc/69/27/61/384692761.db2.gz SNFAQSDDMFXRJX-CYBMUJFWSA-N 1 0 239.322 2.326 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(C#N)c1 ZINC000135315095 384701665 /nfs/dbraw/zinc/70/16/65/384701665.db2.gz FELPDLDJFUFZPP-MJVIPROJSA-N 1 0 230.311 2.386 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000368051250 384716077 /nfs/dbraw/zinc/71/60/77/384716077.db2.gz LHXUDOQJYHVWJY-OFQRWUPVSA-N 1 0 242.366 2.433 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000309674478 384717987 /nfs/dbraw/zinc/71/79/87/384717987.db2.gz LGEMSBZXFGUPNT-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[N@H+](CCCC#N)Cc1ccncc1 ZINC000042221953 384776287 /nfs/dbraw/zinc/77/62/87/384776287.db2.gz FXQSNJBHXGHGCQ-UHFFFAOYSA-N 1 0 203.289 2.207 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000491408948 384745612 /nfs/dbraw/zinc/74/56/12/384745612.db2.gz XWFQFCWQFWUODM-ZJUUUORDSA-N 1 0 201.260 2.375 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C)cc(OC)nc1C ZINC000309724338 384768403 /nfs/dbraw/zinc/76/84/03/384768403.db2.gz XIEGZVGIFQZFRP-UHFFFAOYSA-N 1 0 220.316 2.373 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090450795 384822962 /nfs/dbraw/zinc/82/29/62/384822962.db2.gz JWDNLOLXEWLJGT-NSHDSACASA-N 1 0 238.306 2.464 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309781870 384828023 /nfs/dbraw/zinc/82/80/23/384828023.db2.gz NCFZNQGKQDUMTR-LPWJVIDDSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000648203685 384833420 /nfs/dbraw/zinc/83/34/20/384833420.db2.gz QZAKFJCFIKNPIH-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(COC)CC1)C(C)C ZINC000491816635 384835643 /nfs/dbraw/zinc/83/56/43/384835643.db2.gz SWADAXHPZSHBLE-RUXDESIVSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1ccn(C)n1 ZINC000309733892 384782542 /nfs/dbraw/zinc/78/25/42/384782542.db2.gz FXNRDFKDDFIVLR-NWDGAFQWSA-N 1 0 221.348 2.153 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccsc1 ZINC000297407702 384806811 /nfs/dbraw/zinc/80/68/11/384806811.db2.gz SZJJLNSOVLIAJL-GHMZBOCLSA-N 1 0 211.330 2.336 20 30 BEEDRO CC(C)[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000174579330 384812746 /nfs/dbraw/zinc/81/27/46/384812746.db2.gz PRUIYUCXFVGJRK-OAHLLOKOSA-N 1 0 243.354 2.277 20 30 BEEDRO N#CCCC[C@H]([NH2+]CCO)c1ccccc1 ZINC000309845100 384873309 /nfs/dbraw/zinc/87/33/09/384873309.db2.gz SKCAHFZSUNVDEA-ZDUSSCGKSA-N 1 0 218.300 2.003 20 30 BEEDRO CC(C)(C#N)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000119600302 384881885 /nfs/dbraw/zinc/88/18/85/384881885.db2.gz KLCYWBISNSQPOI-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403649399 384844570 /nfs/dbraw/zinc/84/45/70/384844570.db2.gz JIYDNEIAHJQWPY-XJFOESAGSA-N 1 0 223.360 2.339 20 30 BEEDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000335205776 384852800 /nfs/dbraw/zinc/85/28/00/384852800.db2.gz NFTBHAYECWIWJB-CQSZACIVSA-N 1 0 244.338 2.098 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)C1CCCCC1 ZINC000491439400 384852888 /nfs/dbraw/zinc/85/28/88/384852888.db2.gz JLNRGHSUWOPBCD-ZDUSSCGKSA-N 1 0 223.360 2.271 20 30 BEEDRO CC(C)[NH+]1CCN(Cc2ccc(C#N)s2)CC1 ZINC000127031329 384854466 /nfs/dbraw/zinc/85/44/66/384854466.db2.gz QGMPNPLRDASFPK-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000448979258 384869381 /nfs/dbraw/zinc/86/93/81/384869381.db2.gz HGAIERBCWHBENB-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000193333633 384950996 /nfs/dbraw/zinc/95/09/96/384950996.db2.gz MTCSRQUMCMSZPE-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000193369317 384955075 /nfs/dbraw/zinc/95/50/75/384955075.db2.gz DXHMMYOQWLGMNF-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@@H](C)C(=O)N(C)C ZINC000297807186 384957384 /nfs/dbraw/zinc/95/73/84/384957384.db2.gz IGIRRWPWYVTTMO-ZDUSSCGKSA-N 1 0 246.354 2.151 20 30 BEEDRO C[NH+]1CCC(Nc2ccc(F)cc2C#N)CC1 ZINC000113316988 384891221 /nfs/dbraw/zinc/89/12/21/384891221.db2.gz XQDGAOIAZINJJS-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO COc1cc(C[N@H+](C)CC2CC2)ccc1C#N ZINC000234919896 384892836 /nfs/dbraw/zinc/89/28/36/384892836.db2.gz HUTUFCNORDGUSF-UHFFFAOYSA-N 1 0 230.311 2.409 20 30 BEEDRO CC(C)SCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308662382 384898101 /nfs/dbraw/zinc/89/81/01/384898101.db2.gz QTEWHFYECFJTGB-MNOVXSKESA-N 1 0 212.362 2.410 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449678524 384900166 /nfs/dbraw/zinc/90/01/66/384900166.db2.gz BHLZYTOMRBMQGF-BFHYXJOUSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000448199492 384903634 /nfs/dbraw/zinc/90/36/34/384903634.db2.gz BPKVQGFQDRYWJF-JSGCOSHPSA-N 1 0 236.359 2.095 20 30 BEEDRO COc1cc(C[NH2+]C[C@H]2C[C@@H]2C)ccc1C#N ZINC000234924313 384924134 /nfs/dbraw/zinc/92/41/34/384924134.db2.gz BGGRLVIOSVUAQA-GXFFZTMASA-N 1 0 230.311 2.312 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1COC(=O)N(C)CC ZINC000497278888 384935063 /nfs/dbraw/zinc/93/50/63/384935063.db2.gz DDRYGCBMSPNHAU-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO CC(=O)Nc1cccc(C[NH2+]CCCC#N)c1 ZINC000601113484 384939998 /nfs/dbraw/zinc/93/99/98/384939998.db2.gz NNCWGJATNRJZPN-UHFFFAOYSA-N 1 0 231.299 2.038 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)[C@H](C)O1 ZINC000449303423 384974044 /nfs/dbraw/zinc/97/40/44/384974044.db2.gz MCVJDSNBDBOENO-CJQNXBEJSA-N 1 0 236.359 2.472 20 30 BEEDRO CSC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135501242 384983028 /nfs/dbraw/zinc/98/30/28/384983028.db2.gz WWMQAVPSNBMWNS-MRVPVSSYSA-N 1 0 226.370 2.461 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000491485488 385000259 /nfs/dbraw/zinc/00/02/59/385000259.db2.gz PBYIPUBPZIOYSO-LBPRGKRZSA-N 1 0 243.310 2.417 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(Cl)nc1 ZINC000128559166 385049660 /nfs/dbraw/zinc/04/96/60/385049660.db2.gz NHGRCKSNGPQBFI-UHFFFAOYSA-N 1 0 227.695 2.180 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(C)(C)O)ccc1C#N ZINC000451366390 385053850 /nfs/dbraw/zinc/05/38/50/385053850.db2.gz GJZPGTSRWHFJNL-GFCCVEGCSA-N 1 0 246.354 2.458 20 30 BEEDRO N#CC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000336232809 385055926 /nfs/dbraw/zinc/05/59/26/385055926.db2.gz YQYVKCOGUVENKH-UHFFFAOYSA-N 1 0 214.259 2.267 20 30 BEEDRO CSCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308763506 385081795 /nfs/dbraw/zinc/08/17/95/385081795.db2.gz ZGOBOMRYVGWYKE-GHMZBOCLSA-N 1 0 212.362 2.411 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)s1 ZINC000135507304 385032790 /nfs/dbraw/zinc/03/27/90/385032790.db2.gz NBEUDACGLSRVHO-FXAINCCUSA-N 1 0 234.324 2.029 20 30 BEEDRO CC[C@H](CCO)C[NH2+]Cc1ccc(C#N)s1 ZINC000135504814 385033582 /nfs/dbraw/zinc/03/35/82/385033582.db2.gz DMDQVYFADQQPBC-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO CC(C)C(N)=[NH+]OCCc1ccccc1 ZINC000128507415 385046156 /nfs/dbraw/zinc/04/61/56/385046156.db2.gz MKTUVKIMBAQMMY-UHFFFAOYSA-N 1 0 206.289 2.174 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000305799441 385118152 /nfs/dbraw/zinc/11/81/52/385118152.db2.gz CKBNXSCTWVHQRN-NXEZZACHSA-N 1 0 236.290 2.119 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn2cccnc2n1 ZINC000298090083 385119621 /nfs/dbraw/zinc/11/96/21/385119621.db2.gz MPSLDGZDRHXYPF-LLVKDONJSA-N 1 0 230.315 2.174 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000177861840 385130157 /nfs/dbraw/zinc/13/01/57/385130157.db2.gz PUMAIHHDIYEPJQ-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCOC1 ZINC000310041003 385133110 /nfs/dbraw/zinc/13/31/10/385133110.db2.gz YCEFHZJSJSAMPX-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO Cc1nsc(NCC[NH2+]C(C)(C)C)c1C#N ZINC000336685752 385138961 /nfs/dbraw/zinc/13/89/61/385138961.db2.gz ILJHMVVTQVDGRT-UHFFFAOYSA-N 1 0 238.360 2.123 20 30 BEEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)s1)C[C@H](C)O ZINC000165231931 385089053 /nfs/dbraw/zinc/08/90/53/385089053.db2.gz MKKQGDOPDXLHNG-ZJUUUORDSA-N 1 0 238.356 2.116 20 30 BEEDRO C[N@@H+](CC#Cc1ccccc1)CCCCCO ZINC000227118886 385090357 /nfs/dbraw/zinc/09/03/57/385090357.db2.gz OLPSYHHEPJUHLX-UHFFFAOYSA-N 1 0 231.339 2.133 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1C#N ZINC000599264778 385102121 /nfs/dbraw/zinc/10/21/21/385102121.db2.gz NFXFGAIBPRSICC-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)OC)o1 ZINC000060992961 385105935 /nfs/dbraw/zinc/10/59/35/385105935.db2.gz GGVWGGFMPVEWGZ-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](Cc1ccccc1)OC ZINC000491623965 385186845 /nfs/dbraw/zinc/18/68/45/385186845.db2.gz KLBTTWKSBRIYMA-HIFRSBDPSA-N 1 0 231.339 2.198 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](C)COC)c1ccc(F)cc1 ZINC000491623144 385191344 /nfs/dbraw/zinc/19/13/44/385191344.db2.gz HTBXPUPMYGKAKM-BXUZGUMPSA-N 1 0 235.302 2.372 20 30 BEEDRO CCCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189573116 385195040 /nfs/dbraw/zinc/19/50/40/385195040.db2.gz MPYPEHWEZCTAQT-UHFFFAOYSA-N 1 0 205.305 2.177 20 30 BEEDRO CC#CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000157556626 385197533 /nfs/dbraw/zinc/19/75/33/385197533.db2.gz ATAVDFJVOHCFAD-INIZCTEOSA-N 1 0 243.350 2.455 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000189266527 385143421 /nfs/dbraw/zinc/14/34/21/385143421.db2.gz OUFJCJGTNDNHOD-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000189288252 385148563 /nfs/dbraw/zinc/14/85/63/385148563.db2.gz JVQITQJKMUXURL-LNSITVRQSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157414461 385168648 /nfs/dbraw/zinc/16/86/48/385168648.db2.gz AGDFCDHOJBSZIQ-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000448821107 385176537 /nfs/dbraw/zinc/17/65/37/385176537.db2.gz FMDTXVATBAQAAM-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C[NH+]1CCC(CCNc2ncccc2C#N)CC1 ZINC000134948174 385242655 /nfs/dbraw/zinc/24/26/55/385242655.db2.gz HOENYYVFCTZMNL-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)COCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000163522496 385249002 /nfs/dbraw/zinc/24/90/02/385249002.db2.gz DWVZGSOPNWOLMF-GJZGRUSLSA-N 1 0 246.354 2.314 20 30 BEEDRO C#CC[N@@H+](CC[C@H](C)O)C1CCCCC1 ZINC000491255661 385255185 /nfs/dbraw/zinc/25/51/85/385255185.db2.gz XQRQDVDYCOUMBC-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCC1CCCCCC1 ZINC000308951487 385305879 /nfs/dbraw/zinc/30/58/79/385305879.db2.gz VGZOIFHNAMGJKB-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000308981840 385324114 /nfs/dbraw/zinc/32/41/14/385324114.db2.gz ILMPYDKBHXDQLV-LLVKDONJSA-N 1 0 203.285 2.025 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000300224900 385276534 /nfs/dbraw/zinc/27/65/34/385276534.db2.gz PNRJXTJHHMMDEX-MJBXVCDLSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1nc(C#N)cs1 ZINC000308916591 385282008 /nfs/dbraw/zinc/28/20/08/385282008.db2.gz GCMCUYLAOAIDNU-SECBINFHSA-N 1 0 221.329 2.459 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000308920518 385291571 /nfs/dbraw/zinc/29/15/71/385291571.db2.gz CDOSMUIPLBRDBP-RWMBFGLXSA-N 1 0 210.365 2.413 20 30 BEEDRO C=C(C)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000308981841 385323758 /nfs/dbraw/zinc/32/37/58/385323758.db2.gz ILMPYDKBHXDQLV-NSHDSACASA-N 1 0 203.285 2.025 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H]2CCSC2)CC1 ZINC000308941043 385299956 /nfs/dbraw/zinc/29/99/56/385299956.db2.gz QDULLHXOUKKUHD-MCIGGMRASA-N 1 0 224.373 2.411 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228088601 385335776 /nfs/dbraw/zinc/33/57/76/385335776.db2.gz RBSVIJSJIAQFOP-AAEUAGOBSA-N 1 0 232.327 2.076 20 30 BEEDRO C#CCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000491325816 385351738 /nfs/dbraw/zinc/35/17/38/385351738.db2.gz HFYNUMBPRZTCCK-GFCCVEGCSA-N 1 0 201.269 2.440 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000309022760 385365396 /nfs/dbraw/zinc/36/53/96/385365396.db2.gz YGLHFDRULWLHAH-QWHCGFSZSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H](C[NH2+]CCC#N)c1ccc(F)cc1 ZINC000309025101 385366985 /nfs/dbraw/zinc/36/69/85/385366985.db2.gz ZKRDOYRSQOHNCD-SNVBAGLBSA-N 1 0 206.264 2.432 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644008090 385372391 /nfs/dbraw/zinc/37/23/91/385372391.db2.gz PDIURXGQIWJBRO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](CO)C1CC1 ZINC000309054995 385387697 /nfs/dbraw/zinc/38/76/97/385387697.db2.gz TYDKAOVHOZRMSC-STQMWFEESA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCSCC[NH2+][C@@H](COC)C(C)C ZINC000180458388 385391652 /nfs/dbraw/zinc/39/16/52/385391652.db2.gz WVKCXUCXVSPUSO-NSHDSACASA-N 1 0 217.378 2.166 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000309077344 385399194 /nfs/dbraw/zinc/39/91/94/385399194.db2.gz LYYINRWCFXXFMF-WOPDTQHZSA-N 1 0 229.389 2.043 20 30 BEEDRO Cc1occc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309073848 385403810 /nfs/dbraw/zinc/40/38/10/385403810.db2.gz HXUXFXBAQGTTKN-CMPLNLGQSA-N 1 0 204.273 2.370 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000309098838 385408504 /nfs/dbraw/zinc/40/85/04/385408504.db2.gz FYZKDZVBNBMEHE-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cnc2cccc(C)n12 ZINC000491669382 385422977 /nfs/dbraw/zinc/42/29/77/385422977.db2.gz UJENUWYQHAPEON-LLVKDONJSA-N 1 0 227.311 2.096 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CCCOC1 ZINC000309113823 385423211 /nfs/dbraw/zinc/42/32/11/385423211.db2.gz KPWRPIMSVPZIAW-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)c1ccncc1 ZINC000309170201 385448870 /nfs/dbraw/zinc/44/88/70/385448870.db2.gz LCJKUNWXNUWSSA-GFCCVEGCSA-N 1 0 203.289 2.426 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCOc2ccccc21 ZINC000362376303 533118754 /nfs/dbraw/zinc/11/87/54/533118754.db2.gz NMTZVRNXVJEIKF-AWEZNQCLSA-N 1 0 239.318 2.121 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)C)cc1 ZINC000170910944 385454316 /nfs/dbraw/zinc/45/43/16/385454316.db2.gz ZQTXJINUIZRLCK-UHFFFAOYSA-N 1 0 235.331 2.468 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)C1CCOCC1 ZINC000309180750 385454364 /nfs/dbraw/zinc/45/43/64/385454364.db2.gz NSPMBUDKDNBXRA-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO COC[C@@H](C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000170910871 385454757 /nfs/dbraw/zinc/45/47/57/385454757.db2.gz ZQWZMGWJDQVBAV-LBPRGKRZSA-N 1 0 249.358 2.313 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(C)c(OC)c1 ZINC000170910116 385455161 /nfs/dbraw/zinc/45/51/61/385455161.db2.gz OLFQLVBXAMVREK-UHFFFAOYSA-N 1 0 249.358 2.160 20 30 BEEDRO CC[C@@](C)(O)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000170912670 385456799 /nfs/dbraw/zinc/45/67/99/385456799.db2.gz SIUQUGJOQNEHCY-CQSZACIVSA-N 1 0 249.358 2.191 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000190039495 385428377 /nfs/dbraw/zinc/42/83/77/385428377.db2.gz TTXHPNATLQFYID-XUJVJEKNSA-N 1 0 244.338 2.322 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCOc2ccccc21 ZINC000362376304 533119869 /nfs/dbraw/zinc/11/98/69/533119869.db2.gz NMTZVRNXVJEIKF-CQSZACIVSA-N 1 0 239.318 2.121 20 30 BEEDRO CC[C@@H]([NH2+]CCCSCC#N)[C@@H]1CCCO1 ZINC000182247255 385436233 /nfs/dbraw/zinc/43/62/33/385436233.db2.gz MWWHRQABVXJSLC-NEPJUHHUSA-N 1 0 242.388 2.180 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000309222573 385488124 /nfs/dbraw/zinc/48/81/24/385488124.db2.gz VMEKTMWAZAJNCW-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000341253997 385471621 /nfs/dbraw/zinc/47/16/21/385471621.db2.gz DLWCAGNEUUJQLW-MFKMUULPSA-N 1 0 234.299 2.056 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(F)CC2)s1 ZINC000566077408 385462133 /nfs/dbraw/zinc/46/21/33/385462133.db2.gz FIGIVZHBBAAKAZ-UHFFFAOYSA-N 1 0 210.277 2.211 20 30 BEEDRO CC(C)CCOCCN(C)[C@@H](C)CC#N ZINC000063095415 385593581 /nfs/dbraw/zinc/59/35/81/385593581.db2.gz YYKZIKFACBAYPQ-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCOC1 ZINC000309475590 385599355 /nfs/dbraw/zinc/59/93/55/385599355.db2.gz RURDFSWWEWANOK-UMSGYPCISA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000453407778 385602664 /nfs/dbraw/zinc/60/26/64/385602664.db2.gz MPJVLYAZPPJXDQ-OWYVNGRQSA-N 1 0 248.301 2.261 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000336650490 385603839 /nfs/dbraw/zinc/60/38/39/385603839.db2.gz IRNIHEIXRTYVPF-ZJUUUORDSA-N 1 0 211.330 2.254 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000336650488 385604387 /nfs/dbraw/zinc/60/43/87/385604387.db2.gz IRNIHEIXRTYVPF-UWVGGRQHSA-N 1 0 211.330 2.254 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccc(C#N)cc1 ZINC000181580049 385584926 /nfs/dbraw/zinc/58/49/26/385584926.db2.gz LDELQRZAKAKQLH-DOMZBBRYSA-N 1 0 243.354 2.303 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309480194 385605807 /nfs/dbraw/zinc/60/58/07/385605807.db2.gz SVPOXDGYXJSZLG-ZSVAQUKISA-N 1 0 224.348 2.329 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000595055915 385619265 /nfs/dbraw/zinc/61/92/65/385619265.db2.gz MQLIMVGYYKVMEZ-CABCVRRESA-N 1 0 239.322 2.383 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000309499874 385626228 /nfs/dbraw/zinc/62/62/28/385626228.db2.gz ZJHREPYYLIDTLY-STQMWFEESA-N 1 0 223.291 2.413 20 30 BEEDRO CCC(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724535 385629260 /nfs/dbraw/zinc/62/92/60/385629260.db2.gz PRBXONLMHQRSPP-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598724567 385629401 /nfs/dbraw/zinc/62/94/01/385629401.db2.gz KFGXKDFPSLPMFZ-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@H](C[NH2+]CC(C)(C)CCC#N)OC ZINC000336681018 385632722 /nfs/dbraw/zinc/63/27/22/385632722.db2.gz IYTXMXVCLCGIOC-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@]1(C2CC2)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000595625031 385635480 /nfs/dbraw/zinc/63/54/80/385635480.db2.gz JJNZYFASGJWPAU-IACUBPJLSA-N 1 0 234.343 2.180 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336650404 385611556 /nfs/dbraw/zinc/61/15/56/385611556.db2.gz INYJQDDYCVRBSC-VHSXEESVSA-N 1 0 212.362 2.267 20 30 BEEDRO CCN(C[C@@H]1CCCC[N@@H+]1C(C)C)[C@H](C)C#N ZINC000595821619 385639189 /nfs/dbraw/zinc/63/91/89/385639189.db2.gz XKLAZIKHAXONNU-KGLIPLIRSA-N 1 0 237.391 2.483 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000264841359 385641049 /nfs/dbraw/zinc/64/10/49/385641049.db2.gz ITVJBVQFAAJABE-SMDDNHRTSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ccn(C)n1)C1CC1 ZINC000309510188 385644769 /nfs/dbraw/zinc/64/47/69/385644769.db2.gz OZPHNIDVKJCFLD-CYBMUJFWSA-N 1 0 219.332 2.255 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000495680349 385665521 /nfs/dbraw/zinc/66/55/21/385665521.db2.gz SWTQSQDPSAPOSC-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO CC#CCC[NH2+]C[C@H](C)CC1CCOCC1 ZINC000309521893 385659809 /nfs/dbraw/zinc/65/98/09/385659809.db2.gz ALKFJPIHFZJTDJ-CYBMUJFWSA-N 1 0 223.360 2.442 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000309549443 385681735 /nfs/dbraw/zinc/68/17/35/385681735.db2.gz FJSJQEDBGABDDM-OPRDCNLKSA-N 1 0 237.265 2.244 20 30 BEEDRO CCC#C[C@H](C)N(C)Cc1conc1CC ZINC000645227091 385690757 /nfs/dbraw/zinc/69/07/57/385690757.db2.gz IXKARIUWFRGKLM-NSHDSACASA-N 1 0 220.316 2.471 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000309555667 385693204 /nfs/dbraw/zinc/69/32/04/385693204.db2.gz HOCJMKSFSKCOBD-NXEZZACHSA-N 1 0 231.324 2.402 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451830339 385693851 /nfs/dbraw/zinc/69/38/51/385693851.db2.gz CKASSBLBLZKYPT-QWHCGFSZSA-N 1 0 239.359 2.078 20 30 BEEDRO C[C@H](CCO)CC[NH2+]Cc1cc(C#N)cs1 ZINC000397606555 385698926 /nfs/dbraw/zinc/69/89/26/385698926.db2.gz ATSJAIZGUWIJMI-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(OC)c(C#N)c1)OC ZINC000289904795 385702920 /nfs/dbraw/zinc/70/29/20/385702920.db2.gz UINXEFJLXSLTHO-CYBMUJFWSA-N 1 0 248.326 2.081 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC(F)(F)CO ZINC000184714657 385704151 /nfs/dbraw/zinc/70/41/51/385704151.db2.gz YOYSNFLOENRQSJ-SNVBAGLBSA-N 1 0 221.291 2.339 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000309569111 385704757 /nfs/dbraw/zinc/70/47/57/385704757.db2.gz MEYJJFMHAJCTJO-LBPRGKRZSA-N 1 0 219.332 2.353 20 30 BEEDRO COc1cc(C#N)ccc1C[NH+]1CCCC1 ZINC000120559127 385716372 /nfs/dbraw/zinc/71/63/72/385716372.db2.gz ZPJGUGACCXPBJY-UHFFFAOYSA-N 1 0 216.284 2.163 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000320188197 385666504 /nfs/dbraw/zinc/66/65/04/385666504.db2.gz FXJWGCMVHHRYCQ-LLVKDONJSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000186712718 385785668 /nfs/dbraw/zinc/78/56/68/385785668.db2.gz YGEXNGFIIHGKBC-WFASDCNBSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000186714743 385785840 /nfs/dbraw/zinc/78/58/40/385785840.db2.gz VBZITHKMBYGNLN-QWRGUYRKSA-N 1 0 209.289 2.176 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sc(C)nc1C ZINC000186712077 385785856 /nfs/dbraw/zinc/78/58/56/385785856.db2.gz VNGDLPLDALDFCN-GXSJLCMTSA-N 1 0 240.372 2.348 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336654935 385737113 /nfs/dbraw/zinc/73/71/13/385737113.db2.gz GZQIQYAECOGCDZ-TUAOUCFPSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)O1 ZINC000398093551 385737799 /nfs/dbraw/zinc/73/77/99/385737799.db2.gz PEPOWTPRSUYZIV-MWLCHTKSSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000129262325 385742368 /nfs/dbraw/zinc/74/23/68/385742368.db2.gz VUIYXXQKTZNXES-BPNCWPANSA-N 1 0 244.338 2.368 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000320224010 385749551 /nfs/dbraw/zinc/74/95/51/385749551.db2.gz AKFAOJRODKOAOI-MFKMUULPSA-N 1 0 238.306 2.198 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1ccn(C2CCCC2)n1 ZINC000491740341 385753572 /nfs/dbraw/zinc/75/35/72/385753572.db2.gz YFFJYBCVZUCEIB-GFCCVEGCSA-N 1 0 231.343 2.452 20 30 BEEDRO COCC#CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000645250245 385777253 /nfs/dbraw/zinc/77/72/53/385777253.db2.gz JMOMEYBNTOEIEB-QWHCGFSZSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1OC ZINC000186695099 385780355 /nfs/dbraw/zinc/78/03/55/385780355.db2.gz PMTMPGIOIYDEKG-NEPJUHHUSA-N 1 0 235.327 2.283 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000309674479 385780704 /nfs/dbraw/zinc/78/07/04/385780704.db2.gz LGEMSBZXFGUPNT-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2=CCOCC2)s1 ZINC000397861055 385722995 /nfs/dbraw/zinc/72/29/95/385722995.db2.gz DZRHBIARJBMFJV-UHFFFAOYSA-N 1 0 234.324 2.056 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@H](C)CC ZINC000193175022 385805444 /nfs/dbraw/zinc/80/54/44/385805444.db2.gz YCKBDBPZYJTSJA-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602614988 385809623 /nfs/dbraw/zinc/80/96/23/385809623.db2.gz OLGHLBBFYPCSEQ-TUAOUCFPSA-N 1 0 234.343 2.083 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000221933682 385811728 /nfs/dbraw/zinc/81/17/28/385811728.db2.gz BRWZSEKVKJTXMG-CHWSQXEVSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1csc(C)c1 ZINC000320250901 385820214 /nfs/dbraw/zinc/82/02/14/385820214.db2.gz IDMMKCKAKCESFA-LBPRGKRZSA-N 1 0 225.357 2.473 20 30 BEEDRO CC(C)[N@@H+]1CCCN(CC2(CC#N)CC2)CC1 ZINC000602772836 385820420 /nfs/dbraw/zinc/82/04/20/385820420.db2.gz LBUDSYYQLAFRAX-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000121351955 385837294 /nfs/dbraw/zinc/83/72/94/385837294.db2.gz HOTGXBHKYLDXEW-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1cnccc1C#N ZINC000291144323 385841110 /nfs/dbraw/zinc/84/11/10/385841110.db2.gz OIKNNTSQXOANDJ-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C#CC[NH+]1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000303992150 533150405 /nfs/dbraw/zinc/15/04/05/533150405.db2.gz MMDBRTSPYOUNHD-HNNXBMFYSA-N 1 0 247.313 2.204 20 30 BEEDRO C=C(C)C[C@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000414621656 385979111 /nfs/dbraw/zinc/97/91/11/385979111.db2.gz AUOIBBMCIVVWCV-VIFPVBQESA-N 1 0 221.304 2.477 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414134215 385980835 /nfs/dbraw/zinc/98/08/35/385980835.db2.gz GOEHRIZAIRBCHW-LLVKDONJSA-N 1 0 219.332 2.446 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cn(C)cn1)C1CC1 ZINC000414126392 385974638 /nfs/dbraw/zinc/97/46/38/385974638.db2.gz ONNZKEBZYGTYFU-AWEZNQCLSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C=C[C@H](CO)C1)C1CC1 ZINC000345062827 386001395 /nfs/dbraw/zinc/00/13/95/386001395.db2.gz QNQCCLXXTSTYSV-UBHSHLNASA-N 1 0 221.344 2.258 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414154370 386003995 /nfs/dbraw/zinc/00/39/95/386003995.db2.gz TVKRVALMMSZCHR-NSHDSACASA-N 1 0 219.332 2.446 20 30 BEEDRO COCC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000393901019 386018624 /nfs/dbraw/zinc/01/86/24/386018624.db2.gz GDNSTSWYUZCAHR-SRVKXCTJSA-N 1 0 210.321 2.083 20 30 BEEDRO COCC[C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000414202545 386039938 /nfs/dbraw/zinc/03/99/38/386039938.db2.gz MZIIENPJYRYQTC-AVGNSLFASA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000335074788 386042374 /nfs/dbraw/zinc/04/23/74/386042374.db2.gz DVBVHLKIVAZJCZ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@]1(C)CCCO1 ZINC000414168422 386050230 /nfs/dbraw/zinc/05/02/30/386050230.db2.gz QQEQPVJFISTSFC-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H](O)C(C)C ZINC000414297910 386106078 /nfs/dbraw/zinc/10/60/78/386106078.db2.gz PYYDIJROWSPZDD-FVCCEPFGSA-N 1 0 224.348 2.064 20 30 BEEDRO CN(CC(C)(C)C#N)[C@@H]1CC[C@@H](C#N)C1 ZINC000334460010 386112527 /nfs/dbraw/zinc/11/25/27/386112527.db2.gz UFTPFLLTGCSHPG-GHMZBOCLSA-N 1 0 205.305 2.160 20 30 BEEDRO C=CCOc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1 ZINC000414885919 386067167 /nfs/dbraw/zinc/06/71/67/386067167.db2.gz CCUYSIJJYUPJEN-OAHLLOKOSA-N 1 0 246.354 2.078 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000414232684 386077589 /nfs/dbraw/zinc/07/75/89/386077589.db2.gz IHUOXFURDVYJLV-IMIFBBOLSA-N 1 0 236.359 2.472 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2(C3CC3)CC2)n1 ZINC000309527849 386085547 /nfs/dbraw/zinc/08/55/47/386085547.db2.gz CNDVRXGODWKXBB-UHFFFAOYSA-N 1 0 233.340 2.295 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N1CCC(C)CC1 ZINC000414364463 386149745 /nfs/dbraw/zinc/14/97/45/386149745.db2.gz YMRVYJQEOCLYTG-UHFFFAOYSA-N 1 0 223.364 2.455 20 30 BEEDRO C=CCCC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000425475547 386149807 /nfs/dbraw/zinc/14/98/07/386149807.db2.gz JWYTVYHWRNXZCV-ZDUSSCGKSA-N 1 0 210.365 2.225 20 30 BEEDRO C=CCN(C)C(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415923395 386164994 /nfs/dbraw/zinc/16/49/94/386164994.db2.gz UVUANQJUUDGVDS-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](OC)C1CC1 ZINC000425490457 386169813 /nfs/dbraw/zinc/16/98/13/386169813.db2.gz YXHNVCXZKUOPIU-OLZOCXBDSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCN(C)C(=O)Nc1ccccc1C[NH2+]C ZINC000415929903 386170998 /nfs/dbraw/zinc/17/09/98/386170998.db2.gz ZBLRJRPUVDYOAR-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CCO)CC1 ZINC000188076749 386171162 /nfs/dbraw/zinc/17/11/62/386171162.db2.gz OUIBHVWZRPNERJ-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(C)CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415928410 386171613 /nfs/dbraw/zinc/17/16/13/386171613.db2.gz HLMDTOQCVABDTN-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CC[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994128 386176737 /nfs/dbraw/zinc/17/67/37/386176737.db2.gz GYWVZYGSVVPHGZ-JTQLQIEISA-N 1 0 245.326 2.376 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000366916999 386124885 /nfs/dbraw/zinc/12/48/85/386124885.db2.gz YVCPFWXYHMKLQQ-UONOGXRCSA-N 1 0 245.322 2.061 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnc(CC)nc1 ZINC000414330499 386125343 /nfs/dbraw/zinc/12/53/43/386125343.db2.gz PRLFFYUGQCGNSZ-UHFFFAOYSA-N 1 0 237.372 2.048 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCCS(=O)(=O)CC ZINC000414341855 386133616 /nfs/dbraw/zinc/13/36/16/386133616.db2.gz ORMRAOCHLAEENC-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO C[C@@H](CC[NH+](C)C)Nc1cccc(F)c1C#N ZINC000112012583 386189306 /nfs/dbraw/zinc/18/93/06/386189306.db2.gz PPVYRDXTELXSIK-JTQLQIEISA-N 1 0 235.306 2.449 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000347143764 386261104 /nfs/dbraw/zinc/26/11/04/386261104.db2.gz AOEPQYXRAYEUJC-LBPRGKRZSA-N 1 0 244.338 2.389 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC000267210405 386197001 /nfs/dbraw/zinc/19/70/01/386197001.db2.gz BMNFILXCQWFJFU-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1nccs1 ZINC000320315298 386305649 /nfs/dbraw/zinc/30/56/49/386305649.db2.gz VKXJGDLIXLYURE-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cncs1 ZINC000320322157 386317328 /nfs/dbraw/zinc/31/73/28/386317328.db2.gz WSLMRYNTTYTAAV-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280297475 386341365 /nfs/dbraw/zinc/34/13/65/386341365.db2.gz FMVRMOWDZYSODE-ZDUSSCGKSA-N 1 0 232.327 2.111 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCCCS(=O)(=O)CC ZINC000191071600 386355927 /nfs/dbraw/zinc/35/59/27/386355927.db2.gz QBAVTRIJZVHBGF-UHFFFAOYSA-N 1 0 247.404 2.099 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnccc1C ZINC000280576600 386364347 /nfs/dbraw/zinc/36/43/47/386364347.db2.gz HDFNUDZXOPEKMA-HIFRSBDPSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(C)n[nH]c1C ZINC000280656826 386367017 /nfs/dbraw/zinc/36/70/17/386367017.db2.gz OSHUQZTZELEYGR-GXTWGEPZSA-N 1 0 249.358 2.097 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC=C(C)C1 ZINC000280800621 386373953 /nfs/dbraw/zinc/37/39/53/386373953.db2.gz KQLOYQDTKOEPBE-CQSZACIVSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccn1C ZINC000280768901 386374896 /nfs/dbraw/zinc/37/48/96/386374896.db2.gz ZLDYSVCEJGIVBU-GXTWGEPZSA-N 1 0 234.343 2.096 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001645310330 1172650672 /nfs/dbraw/zinc/65/06/72/1172650672.db2.gz ZRTDGPZDELQGER-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000160360726 386442975 /nfs/dbraw/zinc/44/29/75/386442975.db2.gz YIXZNHMMFAUPES-UHFFFAOYSA-N 1 0 204.248 2.363 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000336775987 386390996 /nfs/dbraw/zinc/39/09/96/386390996.db2.gz DHVCMKWYKPWOLZ-VIFPVBQESA-N 1 0 217.272 2.334 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000572008828 386396046 /nfs/dbraw/zinc/39/60/46/386396046.db2.gz KNBZZMMSEMQMKX-ZWNOBZJWSA-N 1 0 236.315 2.038 20 30 BEEDRO C=CCOc1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000415009047 386402066 /nfs/dbraw/zinc/40/20/66/386402066.db2.gz NRHMBXLBRGSYTL-NEPJUHHUSA-N 1 0 234.343 2.077 20 30 BEEDRO C=CCOc1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000415009055 386402392 /nfs/dbraw/zinc/40/23/92/386402392.db2.gz NRHMBXLBRGSYTL-RYUDHWBXSA-N 1 0 234.343 2.077 20 30 BEEDRO C=CCOc1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000415009057 386402959 /nfs/dbraw/zinc/40/29/59/386402959.db2.gz NRHMBXLBRGSYTL-VXGBXAGGSA-N 1 0 234.343 2.077 20 30 BEEDRO C=C[C@H]1CCCCN1C[C@@H]([NH3+])CC(C)C ZINC000414757859 386405891 /nfs/dbraw/zinc/40/58/91/386405891.db2.gz LWLUXHYNQADEFE-STQMWFEESA-N 1 0 210.365 2.400 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000320207292 386409273 /nfs/dbraw/zinc/40/92/73/386409273.db2.gz DSJDYZKMFCSUHQ-ZDUSSCGKSA-N 1 0 248.301 2.114 20 30 BEEDRO N#CC1(C[NH+](CC2CC2)CC2CC2)CC1 ZINC000347457718 386411442 /nfs/dbraw/zinc/41/14/42/386411442.db2.gz GOQZOKHLBMIYBJ-UHFFFAOYSA-N 1 0 204.317 2.412 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1ccc(C#N)nc1 ZINC000267347299 386471672 /nfs/dbraw/zinc/47/16/72/386471672.db2.gz FSKAPNKIQUHFIT-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCOC1 ZINC000166129816 386474339 /nfs/dbraw/zinc/47/43/39/386474339.db2.gz AWAKIUYOTCUCQE-HIFRSBDPSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCOC1 ZINC000166129689 386474363 /nfs/dbraw/zinc/47/43/63/386474363.db2.gz AWAKIUYOTCUCQE-ZFWWWQNUSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC000166129575 386474552 /nfs/dbraw/zinc/47/45/52/386474552.db2.gz AWAKIUYOTCUCQE-UKRRQHHQSA-N 1 0 229.323 2.053 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CCC)[C@@H]1CC1(C)C ZINC000417327044 386499026 /nfs/dbraw/zinc/49/90/26/386499026.db2.gz DMIZLYBMXVHLFG-WOPDTQHZSA-N 1 0 211.349 2.338 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCN2CCCCCC2)C1 ZINC000442705563 386507976 /nfs/dbraw/zinc/50/79/76/386507976.db2.gz BRHGOQYPOCXOOU-KGLIPLIRSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C)o1 ZINC000320147839 386521624 /nfs/dbraw/zinc/52/16/24/386521624.db2.gz CKNNAYJIMVZISK-LLVKDONJSA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648038825 386453682 /nfs/dbraw/zinc/45/36/82/386453682.db2.gz MBFPUWKZDNDJDC-LBPRGKRZSA-N 1 0 248.374 2.117 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000335414046 386579522 /nfs/dbraw/zinc/57/95/22/386579522.db2.gz BFCWCGQBMAZSBD-ZDUSSCGKSA-N 1 0 202.301 2.447 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000335414039 386579651 /nfs/dbraw/zinc/57/96/51/386579651.db2.gz BFCWCGQBMAZSBD-CYBMUJFWSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187736763 386586288 /nfs/dbraw/zinc/58/62/88/386586288.db2.gz LIWSLIZYXMNEOS-ZJUUUORDSA-N 1 0 236.315 2.069 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)cc1 ZINC000290230584 386591752 /nfs/dbraw/zinc/59/17/52/386591752.db2.gz FUSVRZLISIRFTQ-CYBMUJFWSA-N 1 0 242.366 2.240 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000339756463 386592122 /nfs/dbraw/zinc/59/21/22/386592122.db2.gz FJRQVVCGQHCVAT-UHFFFAOYSA-N 1 0 212.296 2.322 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]C[C@H](C#N)CCC#N)OC ZINC000519690359 386534175 /nfs/dbraw/zinc/53/41/75/386534175.db2.gz GVPIKJMLSCFFQI-AVGNSLFASA-N 1 0 237.347 2.081 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000123006183 386541341 /nfs/dbraw/zinc/54/13/41/386541341.db2.gz NRRLOHMDKGMAPE-LLVKDONJSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000123061158 386541805 /nfs/dbraw/zinc/54/18/05/386541805.db2.gz FYUOTYAETDGPBT-VXGBXAGGSA-N 1 0 247.338 2.246 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOCC1CCC1 ZINC000519757572 386546911 /nfs/dbraw/zinc/54/69/11/386546911.db2.gz IFMVMTSGEBCXDP-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000123473714 386553029 /nfs/dbraw/zinc/55/30/29/386553029.db2.gz JEUIQAWCGMBTTP-ZDUSSCGKSA-N 1 0 217.312 2.328 20 30 BEEDRO CC[C@]1(CO)CCC[N@H+](CCCCC#N)C1 ZINC000187594287 386568567 /nfs/dbraw/zinc/56/85/67/386568567.db2.gz BQFWXTXLLWQFKW-ZDUSSCGKSA-N 1 0 224.348 2.165 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000187680871 386573894 /nfs/dbraw/zinc/57/38/94/386573894.db2.gz MHBZDOHGXCKDKL-TUAOUCFPSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554436 386626384 /nfs/dbraw/zinc/62/63/84/386626384.db2.gz WCVHBSAGIIXHBG-NWDGAFQWSA-N 1 0 234.347 2.339 20 30 BEEDRO Cn1cc(C[NH2+]CC2CCCC2)cc1C#N ZINC000232314035 386679640 /nfs/dbraw/zinc/67/96/40/386679640.db2.gz JDQBTMYLGSWWEX-UHFFFAOYSA-N 1 0 217.316 2.177 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000050198045 386684747 /nfs/dbraw/zinc/68/47/47/386684747.db2.gz LEOHCAXPWIOHLS-JSGCOSHPSA-N 1 0 246.354 2.418 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1OC ZINC000320687723 386686856 /nfs/dbraw/zinc/68/68/56/386686856.db2.gz VYWTZOLGNNQUEJ-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000185809146 386692591 /nfs/dbraw/zinc/69/25/91/386692591.db2.gz JJZDXSXJMICJDL-PBKGFPTLSA-N 1 0 236.340 2.036 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000526941271 386699287 /nfs/dbraw/zinc/69/92/87/386699287.db2.gz WUKTUSAUHGHEOL-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000526941273 386700376 /nfs/dbraw/zinc/70/03/76/386700376.db2.gz WUKTUSAUHGHEOL-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO CSCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192880190 386733897 /nfs/dbraw/zinc/73/38/97/386733897.db2.gz RLRDWUYMSZITDL-WDEREUQCSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccn(CC)c1 ZINC000645129379 386737761 /nfs/dbraw/zinc/73/77/61/386737761.db2.gz AKVDVJNAWBHGFT-UHFFFAOYSA-N 1 0 222.332 2.142 20 30 BEEDRO CCCCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609799524 386729084 /nfs/dbraw/zinc/72/90/84/386729084.db2.gz NNOCWWLHGJJMBH-CQSZACIVSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824397 386746961 /nfs/dbraw/zinc/74/69/61/386746961.db2.gz SVXOBORIMPTPCA-ZDUSSCGKSA-N 1 0 248.326 2.081 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000449495305 386762515 /nfs/dbraw/zinc/76/25/15/386762515.db2.gz OCPBFRVEVXWJFB-RISCZKNCSA-N 1 0 248.326 2.398 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)C[NH2+]C)cc1 ZINC000414839147 386741334 /nfs/dbraw/zinc/74/13/34/386741334.db2.gz LWNYBGLWTMEVDU-ZDUSSCGKSA-N 1 0 248.370 2.197 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000334637020 386771057 /nfs/dbraw/zinc/77/10/57/386771057.db2.gz PLFGHUOVQZOZRW-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000334637018 386772051 /nfs/dbraw/zinc/77/20/51/386772051.db2.gz PLFGHUOVQZOZRW-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000049558609 386775991 /nfs/dbraw/zinc/77/59/91/386775991.db2.gz SMQLQBQPEXCWMC-NSHDSACASA-N 1 0 246.358 2.322 20 30 BEEDRO COc1ccc(C[NH+]2CCCC2)cc1C#N ZINC000087833075 386782421 /nfs/dbraw/zinc/78/24/21/386782421.db2.gz QEBADXZVCRJDAJ-UHFFFAOYSA-N 1 0 216.284 2.163 20 30 BEEDRO COCc1cnc(C[NH2+]CCCCC#N)s1 ZINC000336668402 386797057 /nfs/dbraw/zinc/79/70/57/386797057.db2.gz GBEOQMLQNZIUTD-UHFFFAOYSA-N 1 0 239.344 2.073 20 30 BEEDRO COc1ccc(C[NH2+]CC[C@@H](C)OC)cc1C#N ZINC000266178668 386802206 /nfs/dbraw/zinc/80/22/06/386802206.db2.gz FITSQSCQKDDLDO-LLVKDONJSA-N 1 0 248.326 2.081 20 30 BEEDRO Cc1cccc(C(=O)NCC[NH2+]C(C)(C)C)n1 ZINC000330602161 386807782 /nfs/dbraw/zinc/80/77/82/386807782.db2.gz IUEDRTMWGICAQQ-UHFFFAOYSA-N 1 0 235.331 2.083 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000190913981 386809207 /nfs/dbraw/zinc/80/92/07/386809207.db2.gz ZNXMLRDOMANHCH-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO C=C(C)C[N@H+](CC)CCO[C@@H]1CCCCO1 ZINC000193041570 386811451 /nfs/dbraw/zinc/81/14/51/386811451.db2.gz RWMXCSWLILVUTF-CYBMUJFWSA-N 1 0 227.348 2.428 20 30 BEEDRO Cn1cc([C@@H]([NH2+]CCCC#N)C(C)(C)C)cn1 ZINC000330691901 386832717 /nfs/dbraw/zinc/83/27/17/386832717.db2.gz AHFZRHOAROULKE-GFCCVEGCSA-N 1 0 234.347 2.401 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000425339739 386838604 /nfs/dbraw/zinc/83/86/04/386838604.db2.gz CWRNSGPPCNGLGW-OLZOCXBDSA-N 1 0 240.416 2.120 20 30 BEEDRO C#CC[N@@H+](Cc1c[nH]nc1C)C1CCCC1 ZINC000093819857 386848661 /nfs/dbraw/zinc/84/86/61/386848661.db2.gz JAFRABBJKFFIIS-UHFFFAOYSA-N 1 0 217.316 2.096 20 30 BEEDRO CS[C@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425348462 386862861 /nfs/dbraw/zinc/86/28/61/386862861.db2.gz FAGSIUMIZQKLFM-VLEAKVRGSA-N 1 0 210.346 2.162 20 30 BEEDRO CS[C@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425348463 386864274 /nfs/dbraw/zinc/86/42/74/386864274.db2.gz FAGSIUMIZQKLFM-ZDCRXTMVSA-N 1 0 210.346 2.162 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000425348754 386866237 /nfs/dbraw/zinc/86/62/37/386866237.db2.gz ZUTMSVDHYANFHZ-ZUWCUPBKSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(OC(C)C)C1 ZINC000425350302 386868346 /nfs/dbraw/zinc/86/83/46/386868346.db2.gz HLUBGHBVCGDZPB-ABXWRUBCSA-N 1 0 239.359 2.123 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334831127 386869262 /nfs/dbraw/zinc/86/92/62/386869262.db2.gz PJTBXOPQDBXBSP-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1C[C@]12CCCOC2 ZINC001172492800 974838583 /nfs/dbraw/zinc/83/85/83/974838583.db2.gz OOVJHOARJVMHOW-AGIUHOORSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000514581127 386994477 /nfs/dbraw/zinc/99/44/77/386994477.db2.gz USBKWHHUGHXJHF-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO CCN(CC)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192595378 386996448 /nfs/dbraw/zinc/99/64/48/386996448.db2.gz ZSQSCUSAHTXPDS-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCSC2)CCC1 ZINC000334930066 387005753 /nfs/dbraw/zinc/00/57/53/387005753.db2.gz OBHOYWDOAWJFGL-SNVBAGLBSA-N 1 0 210.346 2.165 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000168597799 387036607 /nfs/dbraw/zinc/03/66/07/387036607.db2.gz NNLSHFIVJFBPFT-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000348293474 387042735 /nfs/dbraw/zinc/04/27/35/387042735.db2.gz PGZSWLPCEVFNDI-SWLSCSKDSA-N 1 0 246.354 2.473 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000334967207 387048642 /nfs/dbraw/zinc/04/86/42/387048642.db2.gz NCIDAVFNZZFBGF-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000334967208 387048773 /nfs/dbraw/zinc/04/87/73/387048773.db2.gz NCIDAVFNZZFBGF-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228088610 387067510 /nfs/dbraw/zinc/06/75/10/387067510.db2.gz RBSVIJSJIAQFOP-DGCLKSJQSA-N 1 0 232.327 2.076 20 30 BEEDRO CS[C@H]1CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000425371528 387012683 /nfs/dbraw/zinc/01/26/83/387012683.db2.gz QICJEYYFPJBOAP-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO CC[C@@H](C(=O)Nc1cc(C)cc(C#N)c1)[NH+](C)C ZINC000456932287 387028322 /nfs/dbraw/zinc/02/83/22/387028322.db2.gz ARGYUYGJZZUZGU-ZDUSSCGKSA-N 1 0 245.326 2.145 20 30 BEEDRO CN1CCC[C@@H]1C[N@H+](C)CC(C)(C)CCC#N ZINC000421413197 387073890 /nfs/dbraw/zinc/07/38/90/387073890.db2.gz VYVIQSHJWTZDHF-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186256753 387083198 /nfs/dbraw/zinc/08/31/98/387083198.db2.gz YMXUCVGSZIDSTF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000228448428 387093335 /nfs/dbraw/zinc/09/33/35/387093335.db2.gz BCPMMIOCGWRGIL-NSHDSACASA-N 1 0 230.315 2.174 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186664385 387119591 /nfs/dbraw/zinc/11/95/91/387119591.db2.gz DYVSAJFSPWUQSK-OAHLLOKOSA-N 1 0 242.322 2.422 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228088620 387068580 /nfs/dbraw/zinc/06/85/80/387068580.db2.gz RBSVIJSJIAQFOP-WCQYABFASA-N 1 0 232.327 2.076 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](CCC)CCO ZINC000161213399 387146606 /nfs/dbraw/zinc/14/66/06/387146606.db2.gz CGCJXOBXHNKOOM-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000229326358 387170231 /nfs/dbraw/zinc/17/02/31/387170231.db2.gz FWANVTFNSDRFHA-SNVBAGLBSA-N 1 0 221.300 2.455 20 30 BEEDRO C=CC[C@H](CC)NC(=O)N[C@H](C)CCCC[NH3+] ZINC000418153376 387174334 /nfs/dbraw/zinc/17/43/34/387174334.db2.gz WFFAFILNMOOTFJ-NEPJUHHUSA-N 1 0 241.379 2.158 20 30 BEEDRO C[C@@H](NCCC#N)[C@H](c1ccccc1)[NH+](C)C ZINC000571993342 387216571 /nfs/dbraw/zinc/21/65/71/387216571.db2.gz HAHFKWLLMNGFIC-TZMCWYRMSA-N 1 0 231.343 2.181 20 30 BEEDRO C[C@@H](NCCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000571993341 387217328 /nfs/dbraw/zinc/21/73/28/387217328.db2.gz HAHFKWLLMNGFIC-OCCSQVGLSA-N 1 0 231.343 2.181 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1F ZINC000191939799 387232972 /nfs/dbraw/zinc/23/29/72/387232972.db2.gz SJXSVJHCFTVYER-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)C(C)C ZINC000424653348 387237664 /nfs/dbraw/zinc/23/76/64/387237664.db2.gz GMBJQSDEZLQZIB-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H]1CCOC1 ZINC000230162378 387237824 /nfs/dbraw/zinc/23/78/24/387237824.db2.gz YSEZTXPOXMNSJN-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000424663089 387239271 /nfs/dbraw/zinc/23/92/71/387239271.db2.gz YTTAHJSKTMZOJK-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)cn1 ZINC000459725527 387272380 /nfs/dbraw/zinc/27/23/80/387272380.db2.gz CUMHEGTUAXVALA-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc2nccn21 ZINC000189053509 387274968 /nfs/dbraw/zinc/27/49/68/387274968.db2.gz ZSOCAGMVTLDXAH-UHFFFAOYSA-N 1 0 201.273 2.000 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCCN1 ZINC000643502024 387356405 /nfs/dbraw/zinc/35/64/05/387356405.db2.gz WHTYJUCUCMMXNM-RWMBFGLXSA-N 1 0 210.365 2.319 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000515303396 387361590 /nfs/dbraw/zinc/36/15/90/387361590.db2.gz BYGYSAMBQFRXTB-GDBMZVCRSA-N 1 0 245.366 2.425 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC3(CCC3)C2)cc1C#N ZINC000191370826 387384374 /nfs/dbraw/zinc/38/43/74/387384374.db2.gz RLTJHZFYFFQCDF-UHFFFAOYSA-N 1 0 229.327 2.273 20 30 BEEDRO Cn1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1C#N ZINC000191369072 387384562 /nfs/dbraw/zinc/38/45/62/387384562.db2.gz JDSBSBIJEYTQCN-BETUJISGSA-N 1 0 229.327 2.129 20 30 BEEDRO C#CC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC000162242324 387335420 /nfs/dbraw/zinc/33/54/20/387335420.db2.gz BCMXCCYGOYFTNH-CQSZACIVSA-N 1 0 234.387 2.349 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[C@@H]1O ZINC000270096601 387337163 /nfs/dbraw/zinc/33/71/63/387337163.db2.gz KRZYRPLZYREFDP-CABCVRRESA-N 1 0 244.338 2.151 20 30 BEEDRO N#CCCNC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000572357155 387344257 /nfs/dbraw/zinc/34/42/57/387344257.db2.gz FVEHELOWVOBEIG-CQSZACIVSA-N 1 0 235.375 2.287 20 30 BEEDRO Cc1ncncc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000514678864 387346581 /nfs/dbraw/zinc/34/65/81/387346581.db2.gz HAQZDGFPLBXJPV-SDDRHHMPSA-N 1 0 230.315 2.128 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCC[C@H]1O ZINC000352668598 387429306 /nfs/dbraw/zinc/42/93/06/387429306.db2.gz TUFVAFWIOUTIOJ-LSDHHAIUSA-N 1 0 247.313 2.022 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270577155 387432126 /nfs/dbraw/zinc/43/21/26/387432126.db2.gz IBENHLYYYCJLJJ-OLZOCXBDSA-N 1 0 233.311 2.191 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000271483858 387444075 /nfs/dbraw/zinc/44/40/75/387444075.db2.gz KVKTYJPWWMXHQR-SNVBAGLBSA-N 1 0 249.383 2.110 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423951869 387457378 /nfs/dbraw/zinc/45/73/78/387457378.db2.gz KIPSRJQDPXMOSY-LBPRGKRZSA-N 1 0 238.375 2.244 20 30 BEEDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191417300 387389752 /nfs/dbraw/zinc/38/97/52/387389752.db2.gz CYOGDPBDQFPIHO-GFCCVEGCSA-N 1 0 249.383 2.224 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(-n2ccnc2)cc1 ZINC000266882466 387404542 /nfs/dbraw/zinc/40/45/42/387404542.db2.gz ALECVBTZDSQRAL-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc2c(c1)CCO2 ZINC000267342840 387411415 /nfs/dbraw/zinc/41/14/15/387411415.db2.gz SSCPPCZVGDFIAM-UHFFFAOYSA-N 1 0 229.323 2.119 20 30 BEEDRO C=C1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000268668401 387416293 /nfs/dbraw/zinc/41/62/93/387416293.db2.gz JVPTUYBLVFUECO-HNNXBMFYSA-N 1 0 242.322 2.244 20 30 BEEDRO C=C(C)CC[N@H+](CCC(N)=O)Cc1ccccc1 ZINC000274801269 387494370 /nfs/dbraw/zinc/49/43/70/387494370.db2.gz REQZOIVPPICLLN-UHFFFAOYSA-N 1 0 246.354 2.330 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C)cc1OC ZINC000648510006 387495088 /nfs/dbraw/zinc/49/50/88/387495088.db2.gz PJBAMKQTTVRQQG-UHFFFAOYSA-N 1 0 235.327 2.296 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000192790228 387502279 /nfs/dbraw/zinc/50/22/79/387502279.db2.gz LBHQGPUMJWDSIK-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000292861452 387504707 /nfs/dbraw/zinc/50/47/07/387504707.db2.gz ATEZDUCPSWMICB-AWEZNQCLSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[N@H+](Cc1cccs1)C[C@H](C)O ZINC000192690474 387523966 /nfs/dbraw/zinc/52/39/66/387523966.db2.gz UIVKBGKCTJWTTC-JTQLQIEISA-N 1 0 211.330 2.117 20 30 BEEDRO COCCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192780553 387534821 /nfs/dbraw/zinc/53/48/21/387534821.db2.gz PDQIPGKAKCQPPK-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO CC#CC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000277468177 387535333 /nfs/dbraw/zinc/53/53/33/387535333.db2.gz PIWOTARUDQKCSV-UHFFFAOYSA-N 1 0 244.338 2.490 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@@H]1CCOC1 ZINC000186251390 387536198 /nfs/dbraw/zinc/53/61/98/387536198.db2.gz RQIMCBPUHDEFGP-AWEZNQCLSA-N 1 0 244.338 2.335 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(C#N)cc1 ZINC000168596673 387538457 /nfs/dbraw/zinc/53/84/57/387538457.db2.gz JPZLYPQRJVVRNN-NWDGAFQWSA-N 1 0 231.343 2.159 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000426114660 387539033 /nfs/dbraw/zinc/53/90/33/387539033.db2.gz PVXMIZDHBKATFS-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO CCN(CC)CC[N@H+](C)[C@@H](C)CCCC#N ZINC001172492289 974839286 /nfs/dbraw/zinc/83/92/86/974839286.db2.gz JYKZKCRUIBLACY-ZDUSSCGKSA-N 1 0 225.380 2.342 20 30 BEEDRO CC#CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278413951 387541407 /nfs/dbraw/zinc/54/14/07/387541407.db2.gz YEYMGCRKELYHHE-UHFFFAOYSA-N 1 0 248.301 2.087 20 30 BEEDRO C#CC[N@@H+](CCc1ccccc1F)C1CC1 ZINC000274427114 387478566 /nfs/dbraw/zinc/47/85/66/387478566.db2.gz MYWVJQIEVIKAQV-UHFFFAOYSA-N 1 0 217.287 2.466 20 30 BEEDRO Cc1cc(F)ccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424076434 387478719 /nfs/dbraw/zinc/47/87/19/387478719.db2.gz LUEGFUCZOOVJHO-LLVKDONJSA-N 1 0 249.289 2.094 20 30 BEEDRO Cc1cc(C)cc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424077381 387480047 /nfs/dbraw/zinc/48/00/47/387480047.db2.gz NXIPIGASDUADDX-ZDUSSCGKSA-N 1 0 245.326 2.263 20 30 BEEDRO CCc1ccccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424079698 387480342 /nfs/dbraw/zinc/48/03/42/387480342.db2.gz ROWAAOAPTYGMSP-LBPRGKRZSA-N 1 0 245.326 2.209 20 30 BEEDRO C=C(C)CC[N@@H+](CCC(=O)OC)C(C)C ZINC000274764623 387492179 /nfs/dbraw/zinc/49/21/79/387492179.db2.gz FSAYINWZYPUCPT-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430275229 387605165 /nfs/dbraw/zinc/60/51/65/387605165.db2.gz AGLHQYZZYUTOHK-DGCLKSJQSA-N 1 0 209.333 2.212 20 30 BEEDRO Cc1ccnc(NCCC[N@@H+](C)C(C)C)c1C#N ZINC000230076107 387620254 /nfs/dbraw/zinc/62/02/54/387620254.db2.gz IFXWDZUSMPBLGS-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[C@@H]1[N@H+](Cc2cnnn2C)CCCC1(C)C ZINC000278659375 387546053 /nfs/dbraw/zinc/54/60/53/387546053.db2.gz KOBDLFZJAURIPC-ZDUSSCGKSA-N 1 0 248.374 2.382 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278824455 387557749 /nfs/dbraw/zinc/55/77/49/387557749.db2.gz IVOGIIKZCHDKTE-LBPRGKRZSA-N 1 0 248.301 2.087 20 30 BEEDRO C[N@@H+](CC#Cc1ccc(F)cc1)CCCCCO ZINC000278936345 387560211 /nfs/dbraw/zinc/56/02/11/387560211.db2.gz UBCVPHCAQRCINS-UHFFFAOYSA-N 1 0 249.329 2.272 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H](O)CC)c1 ZINC000422091863 387567833 /nfs/dbraw/zinc/56/78/33/387567833.db2.gz WYFNPPXVKAONBN-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC001172492389 974839679 /nfs/dbraw/zinc/83/96/79/974839679.db2.gz KVVXAOIMHFWJAR-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO CCC(CC)(CC)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424134251 387639163 /nfs/dbraw/zinc/63/91/63/387639163.db2.gz YDYNZZUCNFEYSO-NSHDSACASA-N 1 0 239.363 2.093 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000248972751 387695080 /nfs/dbraw/zinc/69/50/80/387695080.db2.gz TTXHPNATLQFYID-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430746632 387647847 /nfs/dbraw/zinc/64/78/47/387647847.db2.gz RGOXDMZLLUYMKY-JTQLQIEISA-N 1 0 232.331 2.073 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccnc(C)c1 ZINC000527704479 387668025 /nfs/dbraw/zinc/66/80/25/387668025.db2.gz WCRHDSCRCBCETN-LSDHHAIUSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451901975 387675264 /nfs/dbraw/zinc/67/52/64/387675264.db2.gz HHKGDSPTXYLNSZ-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451903148 387675772 /nfs/dbraw/zinc/67/57/72/387675772.db2.gz PKXJVZNEOGUXBE-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C#N)c(C)c1 ZINC000347454507 387682123 /nfs/dbraw/zinc/68/21/23/387682123.db2.gz LPDHQGZWSZVJFX-CYBMUJFWSA-N 1 0 246.354 2.460 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452021603 387701219 /nfs/dbraw/zinc/70/12/19/387701219.db2.gz VLTHJILAEXZZGJ-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452045384 387711250 /nfs/dbraw/zinc/71/12/50/387711250.db2.gz XBKPGKOPCNJLHO-UHFFFAOYSA-N 1 0 236.281 2.131 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527905753 387762494 /nfs/dbraw/zinc/76/24/94/387762494.db2.gz RMLNNTHHUQXBCO-KKOKHZNYSA-N 1 0 207.317 2.108 20 30 BEEDRO C=CCC[C@H](NC[C@@H](C)[NH3+])c1ccco1 ZINC000643527211 387763081 /nfs/dbraw/zinc/76/30/81/387763081.db2.gz KSKDMQJOWCNTMR-MNOVXSKESA-N 1 0 208.305 2.224 20 30 BEEDRO C[C@@H](CCCO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353261487 387769045 /nfs/dbraw/zinc/76/90/45/387769045.db2.gz HBJNNZPFGPJDFA-NHYWBVRUSA-N 1 0 244.338 2.296 20 30 BEEDRO COC[C@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000294158466 387770140 /nfs/dbraw/zinc/77/01/40/387770140.db2.gz IDSNXEBTVPLVMU-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000294162598 387773505 /nfs/dbraw/zinc/77/35/05/387773505.db2.gz IPOCPCJAPXRRAO-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527922774 387792050 /nfs/dbraw/zinc/79/20/50/387792050.db2.gz BDRDBGHKNSPVCS-MGPQQGTHSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cnccc1N ZINC000422981705 387793762 /nfs/dbraw/zinc/79/37/62/387793762.db2.gz PAGBFNKMGBARSF-ZJUUUORDSA-N 1 0 205.305 2.109 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)CC1(O)CCC1 ZINC000353467266 387796794 /nfs/dbraw/zinc/79/67/94/387796794.db2.gz LCRXNEYFLHJFLX-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1ccc(C#N)cc1 ZINC000353484285 387798404 /nfs/dbraw/zinc/79/84/04/387798404.db2.gz JGRYWJLRQSBLSG-NHYWBVRUSA-N 1 0 244.338 2.227 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1ccc(C#N)cc1 ZINC000353484284 387798858 /nfs/dbraw/zinc/79/88/58/387798858.db2.gz JGRYWJLRQSBLSG-IAQYHMDHSA-N 1 0 244.338 2.227 20 30 BEEDRO C=C(C)C[N@H+](CC)CCOCC(F)(F)F ZINC000193718329 387801969 /nfs/dbraw/zinc/80/19/69/387801969.db2.gz NOSKFQYOXSXZJA-UHFFFAOYSA-N 1 0 225.254 2.463 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000527984203 387802059 /nfs/dbraw/zinc/80/20/59/387802059.db2.gz ZMVJQNCLOVQXCG-LOWDOPEQSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000528000754 387807789 /nfs/dbraw/zinc/80/77/89/387807789.db2.gz ODNJVSYUCYLLRO-FZMZJTMJSA-N 1 0 244.338 2.494 20 30 BEEDRO CC(C)(O)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353634544 387822478 /nfs/dbraw/zinc/82/24/78/387822478.db2.gz LKAOZLPHSPSTOY-CQSZACIVSA-N 1 0 244.338 2.296 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000442707120 387827462 /nfs/dbraw/zinc/82/74/62/387827462.db2.gz FXSJXLDDYSTJEC-BNOWGMLFSA-N 1 0 242.322 2.272 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564095205 387827590 /nfs/dbraw/zinc/82/75/90/387827590.db2.gz RNECELUSFAQGFA-RWMBFGLXSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](CN(C)C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353663951 387828940 /nfs/dbraw/zinc/82/89/40/387828940.db2.gz NRYSYNRZCCZUKF-IAQYHMDHSA-N 1 0 243.354 2.085 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353656789 387829718 /nfs/dbraw/zinc/82/97/18/387829718.db2.gz IGVFMEGOTFCBNK-ABAIWWIYSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H](CCO)CC[NH2+]Cc1ccc(C#N)s1 ZINC000295136169 387834221 /nfs/dbraw/zinc/83/42/21/387834221.db2.gz PFTSTHZBOXPMMT-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442770209 387837411 /nfs/dbraw/zinc/83/74/11/387837411.db2.gz RCYQPJFMJGUUOX-BFHYXJOUSA-N 1 0 235.375 2.000 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2)C1 ZINC000442781315 387839190 /nfs/dbraw/zinc/83/91/90/387839190.db2.gz PASFDGZRVKVLJI-YUELXQCFSA-N 1 0 244.338 2.044 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CCCC3)C2)C1 ZINC000442792504 387842008 /nfs/dbraw/zinc/84/20/08/387842008.db2.gz QHKAHXLGCAIREW-MCIONIFRSA-N 1 0 247.386 2.285 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000442807622 387846779 /nfs/dbraw/zinc/84/67/79/387846779.db2.gz FICDPPGVHXOWKI-SGMGOOAPSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCC(=O)N[C@H](CC)c1ncc[nH]1 ZINC000442822658 387847094 /nfs/dbraw/zinc/84/70/94/387847094.db2.gz PDLWZWZFCZUDFC-SNVBAGLBSA-N 1 0 221.304 2.333 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000442854768 387850873 /nfs/dbraw/zinc/85/08/73/387850873.db2.gz LJEBUBURPIHPOO-LERXQTSPSA-N 1 0 248.301 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(C)cs1 ZINC000424166230 387851799 /nfs/dbraw/zinc/85/17/99/387851799.db2.gz CALWDIFBJRZPHZ-QWRGUYRKSA-N 1 0 238.356 2.132 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC000442854763 387852015 /nfs/dbraw/zinc/85/20/15/387852015.db2.gz LJEBUBURPIHPOO-DDTOSNHZSA-N 1 0 248.301 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCSCC1 ZINC000424165239 387852631 /nfs/dbraw/zinc/85/26/31/387852631.db2.gz AIWPATMQNWHXPW-JQWIXIFHSA-N 1 0 227.373 2.063 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCCO1 ZINC000442869232 387852763 /nfs/dbraw/zinc/85/27/63/387852763.db2.gz SHGSGHZIENENQF-BLYZHGLHSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[N@H+](C)CCc1cccc(C)n1 ZINC000645847992 387859168 /nfs/dbraw/zinc/85/91/68/387859168.db2.gz YSTBFSVFEMRHIE-UHFFFAOYSA-N 1 0 204.317 2.440 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000448690720 387870209 /nfs/dbraw/zinc/87/02/09/387870209.db2.gz MTJJXMZTGPSOIS-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000353590099 387814587 /nfs/dbraw/zinc/81/45/87/387814587.db2.gz CNOPSRMVRQKQDR-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1C ZINC000424179876 387890657 /nfs/dbraw/zinc/89/06/57/387890657.db2.gz ZIZNTRUACCGJAQ-XQHKEYJVSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@@H](C#N)CN(CCC[NH+]1CCCCC1)C1CC1 ZINC000444605399 387891545 /nfs/dbraw/zinc/89/15/45/387891545.db2.gz DFRZYAGWXUPSLJ-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO N#CCC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000423096446 387885493 /nfs/dbraw/zinc/88/54/93/387885493.db2.gz OVOCAJXHSBGBFB-UONOGXRCSA-N 1 0 241.338 2.415 20 30 BEEDRO C[C@H](Nc1ccc(C#N)cc1F)[C@H]1CCC[NH2+]C1 ZINC000050164066 387903638 /nfs/dbraw/zinc/90/36/38/387903638.db2.gz JDZWBXQUDUYWNL-JQWIXIFHSA-N 1 0 247.317 2.497 20 30 BEEDRO CC[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528346149 387904109 /nfs/dbraw/zinc/90/41/09/387904109.db2.gz USWGFGPTXOVVOH-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO CC#CCN(C)Cc1nc2c(s1)CCCC2 ZINC000175541734 387909829 /nfs/dbraw/zinc/90/98/29/387909829.db2.gz AFLGOAWCCUDYKU-UHFFFAOYSA-N 1 0 234.368 2.477 20 30 BEEDRO C=CC[C@@H]1[N@H+](Cc2cn(C)nn2)CCCC1(C)C ZINC000444793272 387931371 /nfs/dbraw/zinc/93/13/71/387931371.db2.gz RPBIOLDMFSHYSB-ZDUSSCGKSA-N 1 0 248.374 2.382 20 30 BEEDRO C=C(CC)C[NH2+][C@]1(CO)C[C@H](OCC)C1(C)C ZINC000444799356 387932291 /nfs/dbraw/zinc/93/22/91/387932291.db2.gz HVVXZDVPVKGCNN-JSGCOSHPSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)CC1(O)CCOCC1 ZINC000444750887 387921179 /nfs/dbraw/zinc/92/11/79/387921179.db2.gz LLZVWCXSLAHHHI-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C#CCN(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000179563489 387928166 /nfs/dbraw/zinc/92/81/66/387928166.db2.gz FRRZYHFKFKNBMD-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCCC23CCC3)nn1 ZINC000424293585 387954240 /nfs/dbraw/zinc/95/42/40/387954240.db2.gz IRXGXFCOWRFTQW-ZDUSSCGKSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)nn1 ZINC000424292715 387954672 /nfs/dbraw/zinc/95/46/72/387954672.db2.gz HEKPKNQXERKWQV-IACUBPJLSA-N 1 0 246.358 2.132 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1C[C@@]12CCCOC2 ZINC001172492801 974839916 /nfs/dbraw/zinc/83/99/16/974839916.db2.gz OOVJHOARJVMHOW-FRRDWIJNSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000448606772 387948760 /nfs/dbraw/zinc/94/87/60/387948760.db2.gz PQJAMBKTKVTCND-UHFFFAOYSA-N 1 0 240.391 2.434 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC12CCC2 ZINC000424298680 387958533 /nfs/dbraw/zinc/95/85/33/387958533.db2.gz SZBQDUDHXOTCFE-AVGNSLFASA-N 1 0 221.344 2.500 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)nn1 ZINC000424298536 387959348 /nfs/dbraw/zinc/95/93/48/387959348.db2.gz SOUUSCSYVFETET-WCQYABFASA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C)CCC(C)C)nn1 ZINC000424297877 387959403 /nfs/dbraw/zinc/95/94/03/387959403.db2.gz RFRFTENSDPEXRW-GFCCVEGCSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cn(CC=C)nn1 ZINC000424300163 387960445 /nfs/dbraw/zinc/96/04/45/387960445.db2.gz WZKBXRYQWFEBLC-RYUDHWBXSA-N 1 0 234.347 2.154 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccoc1 ZINC000424300933 387960930 /nfs/dbraw/zinc/96/09/30/387960930.db2.gz YSQPURRGEDIUDH-XBFCOCLRSA-N 1 0 235.327 2.391 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@H]2C2CC2)nn1 ZINC000424300999 387961099 /nfs/dbraw/zinc/96/10/99/387961099.db2.gz YZMHSHNDLSIVRM-KBPBESRZSA-N 1 0 246.358 2.132 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC001645445343 1172667317 /nfs/dbraw/zinc/66/73/17/1172667317.db2.gz PQEZVDBGUWCHMD-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CC[N@@H+](CC[C@H](C)O)Cc1ccc(OC)cc1 ZINC000438980966 387969162 /nfs/dbraw/zinc/96/91/62/387969162.db2.gz SRMDGTYWDWBGBA-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320778 387969158 /nfs/dbraw/zinc/96/91/58/387969158.db2.gz GLHCMSVAOUUICV-GRYCIOLGSA-N 1 0 230.315 2.128 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000194360141 387980774 /nfs/dbraw/zinc/98/07/74/387980774.db2.gz LQLNPQPANUQZLV-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000245743895 387980837 /nfs/dbraw/zinc/98/08/37/387980837.db2.gz GMTOMABHWKDHHU-JSGCOSHPSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424329956 387975673 /nfs/dbraw/zinc/97/56/73/387975673.db2.gz RDTOKBSDJUXRBZ-RWMBFGLXSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)[C@@H](C)[C@H](C)O1 ZINC000446068482 387992083 /nfs/dbraw/zinc/99/20/83/387992083.db2.gz CZYRLKLDZQQGAU-WOPDTQHZSA-N 1 0 242.388 2.131 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)[C@H](C)[C@@H](C)O1 ZINC000446068480 387992236 /nfs/dbraw/zinc/99/22/36/387992236.db2.gz CZYRLKLDZQQGAU-IJLUTSLNSA-N 1 0 242.388 2.131 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)[C@@H](C)[C@@H](C)O1 ZINC000446068479 387993246 /nfs/dbraw/zinc/99/32/46/387993246.db2.gz CZYRLKLDZQQGAU-GRYCIOLGSA-N 1 0 242.388 2.131 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424350548 387984972 /nfs/dbraw/zinc/98/49/72/387984972.db2.gz ONXDZHRFVGWSBK-MOENNCHZSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000246074058 388006934 /nfs/dbraw/zinc/00/69/34/388006934.db2.gz ZTHPDKCJXLIUBW-AGIUHOORSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1(O)CC(OCC)C1 ZINC000446830246 388039932 /nfs/dbraw/zinc/03/99/32/388039932.db2.gz QBESZQIWSMBZQM-HSBZDZAISA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(O)CC(OCC)C1 ZINC000446832517 388040540 /nfs/dbraw/zinc/04/05/40/388040540.db2.gz BSZNXXZGZBVHRI-MRFVTOPCSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000453307229 388040690 /nfs/dbraw/zinc/04/06/90/388040690.db2.gz BMVREESQJDQUOD-FRRDWIJNSA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453312437 388042632 /nfs/dbraw/zinc/04/26/32/388042632.db2.gz GVHFLOXEKSFOSI-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC#N)C[C@H]1n1ccnc1 ZINC000246306593 388030494 /nfs/dbraw/zinc/03/04/94/388030494.db2.gz QGQGXFQNKHMABN-CHWSQXEVSA-N 1 0 232.331 2.070 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cn(C)nc1C ZINC000453335704 388051190 /nfs/dbraw/zinc/05/11/90/388051190.db2.gz FOYKAVDOWYMQOR-GDLCADMTSA-N 1 0 249.358 2.113 20 30 BEEDRO C=C(C)C[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000083406108 388051191 /nfs/dbraw/zinc/05/11/91/388051191.db2.gz ADQFPZFPFFZGGX-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000453338572 388052366 /nfs/dbraw/zinc/05/23/66/388052366.db2.gz GQYDSDMGOBYPQU-LPWJVIDDSA-N 1 0 247.342 2.212 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nccs1 ZINC000453345602 388053261 /nfs/dbraw/zinc/05/32/61/388053261.db2.gz GDJQTAYJKDDSJS-BBBLOLIVSA-N 1 0 224.329 2.137 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000453355599 388057124 /nfs/dbraw/zinc/05/71/24/388057124.db2.gz KGLQFGMFVOQOJY-GFCCVEGCSA-N 1 0 219.332 2.427 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000453360677 388058470 /nfs/dbraw/zinc/05/84/70/388058470.db2.gz PKFFZJATOFUAIA-AAEUAGOBSA-N 1 0 249.358 2.071 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453369724 388061389 /nfs/dbraw/zinc/06/13/89/388061389.db2.gz SMVVQCZFCFAECT-GLQYFDAESA-N 1 0 247.338 2.173 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000453367239 388061588 /nfs/dbraw/zinc/06/15/88/388061588.db2.gz PVVLARIIEFLUOO-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](CC1CC1)C(C)C ZINC000533358022 388062593 /nfs/dbraw/zinc/06/25/93/388062593.db2.gz GTGVLGHOTBQAFY-CYBMUJFWSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CC)c1cnn(C)c1 ZINC000453382693 388066194 /nfs/dbraw/zinc/06/61/94/388066194.db2.gz YCWTVFGIJDJVNS-GFCCVEGCSA-N 1 0 207.321 2.427 20 30 BEEDRO CCCC[C@H](CN)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423293533 388076432 /nfs/dbraw/zinc/07/64/32/388076432.db2.gz ADBWMUAVJCQLAG-FRRDWIJNSA-N 1 0 223.364 2.176 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CCN1C ZINC000447545310 388076582 /nfs/dbraw/zinc/07/65/82/388076582.db2.gz QZATXEGYHNLEKZ-ZOBORPQBSA-N 1 0 235.375 2.141 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000447536400 388076620 /nfs/dbraw/zinc/07/66/20/388076620.db2.gz MZNGMLXOKHKUKX-MJBXVCDLSA-N 1 0 237.391 2.389 20 30 BEEDRO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000453412681 388076890 /nfs/dbraw/zinc/07/68/90/388076890.db2.gz IXWIHYLEXMMTDL-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)O1 ZINC000453411291 388077339 /nfs/dbraw/zinc/07/73/39/388077339.db2.gz QRNFRESXZVNQOW-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOCC2CCCC2)C1 ZINC000453413102 388077351 /nfs/dbraw/zinc/07/73/51/388077351.db2.gz XZLANWGFEWCTKK-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)nc1 ZINC000453434543 388081992 /nfs/dbraw/zinc/08/19/92/388081992.db2.gz UHQSQOHWHLZQID-JSGCOSHPSA-N 1 0 229.327 2.214 20 30 BEEDRO C=C(CC)C[N@H+](CCO)Cc1ccccc1 ZINC000085070494 388084012 /nfs/dbraw/zinc/08/40/12/388084012.db2.gz GFPRWRTWEKJMHM-UHFFFAOYSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1sccc1Cl ZINC000336659419 388084574 /nfs/dbraw/zinc/08/45/74/388084574.db2.gz SQHMEJBNCOFGNX-SSDOTTSWSA-N 1 0 217.721 2.038 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042338041 388086968 /nfs/dbraw/zinc/08/69/68/388086968.db2.gz VPCFIIIGIHSFLP-NSHDSACASA-N 1 0 218.300 2.025 20 30 BEEDRO C[C@H]([NH2+]CCn1cccn1)c1ccc(C#N)cc1 ZINC000042538717 388096996 /nfs/dbraw/zinc/09/69/96/388096996.db2.gz FIHNRHOJXMEQPW-LBPRGKRZSA-N 1 0 240.310 2.106 20 30 BEEDRO C=CCCC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000336661546 388105541 /nfs/dbraw/zinc/10/55/41/388105541.db2.gz BXVAWGYWGRDLKY-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CN)C1CC1 ZINC000423268432 388047202 /nfs/dbraw/zinc/04/72/02/388047202.db2.gz DRCMCBNSPTVFOP-STQMWFEESA-N 1 0 210.365 2.448 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(C)c1F ZINC000449198892 388156647 /nfs/dbraw/zinc/15/66/47/388156647.db2.gz AIGBRKRTZJPBLE-GFCCVEGCSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCC12CCC2 ZINC000449205031 388156711 /nfs/dbraw/zinc/15/67/11/388156711.db2.gz NPBFCBWAGBCHQM-STQMWFEESA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CCc1cccc(C)c1 ZINC000449202164 388156863 /nfs/dbraw/zinc/15/68/63/388156863.db2.gz IBWIWAYRYVJZOI-HNNXBMFYSA-N 1 0 233.355 2.312 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCC12CCC2 ZINC000449205029 388156893 /nfs/dbraw/zinc/15/68/93/388156893.db2.gz NPBFCBWAGBCHQM-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)C(=O)NC ZINC000449209502 388157627 /nfs/dbraw/zinc/15/76/27/388157627.db2.gz SHXAVKAIOGNVQJ-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO CCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449221829 388158771 /nfs/dbraw/zinc/15/87/71/388158771.db2.gz UMPLOPVEAPGUCF-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)NCC ZINC000449249724 388162570 /nfs/dbraw/zinc/16/25/70/388162570.db2.gz JWFKMHPKURLQCC-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)NCC ZINC000449249723 388162870 /nfs/dbraw/zinc/16/28/70/388162870.db2.gz JWFKMHPKURLQCC-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO CC(C)(O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449259435 388164033 /nfs/dbraw/zinc/16/40/33/388164033.db2.gz UAVXDRKJKKECPF-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1ccnc(OC)n1 ZINC000449373393 388185012 /nfs/dbraw/zinc/18/50/12/388185012.db2.gz QZABNMYEYVKWAW-NSHDSACASA-N 1 0 235.331 2.320 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(OC)n1 ZINC000449372860 388185064 /nfs/dbraw/zinc/18/50/64/388185064.db2.gz LTWGZFNHRLFSGR-GHMZBOCLSA-N 1 0 235.331 2.176 20 30 BEEDRO C=CC(C)(C)C(=O)NCCCC[NH+](CC)CC ZINC000448975512 388124469 /nfs/dbraw/zinc/12/44/69/388124469.db2.gz PDJOMVCIDFLIND-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@H](Cn1ccnc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449071651 388138801 /nfs/dbraw/zinc/13/88/01/388138801.db2.gz BXOQUUVZTOBRHD-IYXRBSQSSA-N 1 0 246.358 2.334 20 30 BEEDRO C[C@@H](Cn1ccnc1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449071650 388138854 /nfs/dbraw/zinc/13/88/54/388138854.db2.gz BXOQUUVZTOBRHD-HSBZDZAISA-N 1 0 246.358 2.334 20 30 BEEDRO CCC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)OC ZINC000449376672 388186980 /nfs/dbraw/zinc/18/69/80/388186980.db2.gz MJSMMXIFJZWLBC-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)N(C)CC ZINC000186815880 256511209 /nfs/dbraw/zinc/51/12/09/256511209.db2.gz PMGWLDZQCWVBDU-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449164865 388150853 /nfs/dbraw/zinc/15/08/53/388150853.db2.gz RPHVKCBZWRLABD-FEPKRQSRSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCC[S@@](C)=O ZINC000449164129 388150947 /nfs/dbraw/zinc/15/09/47/388150947.db2.gz YBDRAPXXQUENSK-SWLSCSKDSA-N 1 0 231.405 2.480 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646135437 388152347 /nfs/dbraw/zinc/15/23/47/388152347.db2.gz MKDBLUJQIRYMCR-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000165151320 388251048 /nfs/dbraw/zinc/25/10/48/388251048.db2.gz VXTMTELGRWFZCB-GFCCVEGCSA-N 1 0 210.365 2.415 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000490820001 388255326 /nfs/dbraw/zinc/25/53/26/388255326.db2.gz MCSKKXYVTNZVBW-ZDUSSCGKSA-N 1 0 234.343 2.040 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@](C)(O)COC ZINC000449384165 388189643 /nfs/dbraw/zinc/18/96/43/388189643.db2.gz MKIVDRKMGWHMJU-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO CC1(C#N)CCC([NH2+]C(CF)CF)CC1 ZINC000449382648 388189689 /nfs/dbraw/zinc/18/96/89/388189689.db2.gz XPSNVYNCDSIJQF-UHFFFAOYSA-N 1 0 216.275 2.356 20 30 BEEDRO CC(C)(CO)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449406639 388196669 /nfs/dbraw/zinc/19/66/69/388196669.db2.gz BSOUCGFTSXLZGJ-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000449422669 388200926 /nfs/dbraw/zinc/20/09/26/388200926.db2.gz NCAVSXLLTMSASZ-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[N@@H+](C)CCCSCCOC ZINC000488995452 388201341 /nfs/dbraw/zinc/20/13/41/388201341.db2.gz UYJYOSLLKOWBBU-UHFFFAOYSA-N 1 0 217.378 2.264 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H](O)CC ZINC000313131337 256540756 /nfs/dbraw/zinc/54/07/56/256540756.db2.gz CBKGMWCPUUDTGH-NEPJUHHUSA-N 1 0 226.364 2.455 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(CC)C(=O)[C@H]1C ZINC000489037047 388202791 /nfs/dbraw/zinc/20/27/91/388202791.db2.gz HZNFHIDBPAZKJS-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000449473228 388213909 /nfs/dbraw/zinc/21/39/09/388213909.db2.gz GZPODGXBNMTIQA-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC[N@@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000489467702 388216410 /nfs/dbraw/zinc/21/64/10/388216410.db2.gz VRJBZKXPTGZTNH-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000449485966 388216927 /nfs/dbraw/zinc/21/69/27/388216927.db2.gz PMZIASLZWMTFRM-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC)C[N@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000489470572 388217723 /nfs/dbraw/zinc/21/77/23/388217723.db2.gz GBSUHAWUZPFRKL-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000449519795 388220993 /nfs/dbraw/zinc/22/09/93/388220993.db2.gz NKRHZDVVTPQGKW-KKOKHZNYSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC(C)(C)C1 ZINC000449521225 388221126 /nfs/dbraw/zinc/22/11/26/388221126.db2.gz RGAWYDVKLFTVOC-UTUOFQBUSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000449516635 388222080 /nfs/dbraw/zinc/22/20/80/388222080.db2.gz BKWOYYNDXDVFAT-OLZOCXBDSA-N 1 0 239.265 2.398 20 30 BEEDRO C=CCC1(C(=O)NC[C@@H](C)[NH+](C)C)CCCC1 ZINC000449521450 388223257 /nfs/dbraw/zinc/22/32/57/388223257.db2.gz RQPNPNXXACBJAI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000449522250 388223354 /nfs/dbraw/zinc/22/33/54/388223354.db2.gz UVSZPKZZNRRLSV-GLQYFDAESA-N 1 0 247.338 2.256 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccsc1 ZINC000449522571 388223453 /nfs/dbraw/zinc/22/34/53/388223453.db2.gz VLLTZWGHCFVZAH-MNOVXSKESA-N 1 0 209.314 2.181 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@H](C)C1 ZINC000449549343 388229703 /nfs/dbraw/zinc/22/97/03/388229703.db2.gz WZSBBBZYNDAXGQ-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000449547626 388230013 /nfs/dbraw/zinc/23/00/13/388230013.db2.gz JDKYRXHHICIURJ-YUTCNCBUSA-N 1 0 232.327 2.466 20 30 BEEDRO C=CCC1([NH2+]Cc2cn(C)nn2)CCCCC1 ZINC000449576294 388236589 /nfs/dbraw/zinc/23/65/89/388236589.db2.gz RJXSPILWPBIPPY-UHFFFAOYSA-N 1 0 234.347 2.184 20 30 BEEDRO C#CC[N@@H+](CC#CC)CC(C)(C)CCC#N ZINC000490923715 388260271 /nfs/dbraw/zinc/26/02/71/388260271.db2.gz LYYVTOPJILHRKE-UHFFFAOYSA-N 1 0 216.328 2.275 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CC(C)(C)C ZINC000490616948 388242472 /nfs/dbraw/zinc/24/24/72/388242472.db2.gz MWEZJYMRDNJYFE-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO CCc1ncc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000449611857 388243422 /nfs/dbraw/zinc/24/34/22/388243422.db2.gz ZCGWGJDCLSDULA-GHMZBOCLSA-N 1 0 233.315 2.409 20 30 BEEDRO C[C@@H]([NH2+]C1CCOCC1)c1cccc(C#N)c1 ZINC000037269708 388247025 /nfs/dbraw/zinc/24/70/25/388247025.db2.gz ZYPILGWAKDQOJB-LLVKDONJSA-N 1 0 230.311 2.388 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCCC#N)CC1(C)C ZINC000451545791 388280751 /nfs/dbraw/zinc/28/07/51/388280751.db2.gz ARYCJOTUPCFGLS-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000491286403 388282378 /nfs/dbraw/zinc/28/23/78/388282378.db2.gz IIMHRNVWURMGNE-LLVKDONJSA-N 1 0 227.311 2.096 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000491307568 388282433 /nfs/dbraw/zinc/28/24/33/388282433.db2.gz QSMLUJICSVMTPH-ZDUSSCGKSA-N 1 0 239.359 2.263 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOc1cccc(C)c1 ZINC000451603467 388283569 /nfs/dbraw/zinc/28/35/69/388283569.db2.gz ZYWIHXZTINQEAA-CABCVRRESA-N 1 0 247.338 2.307 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccncc1 ZINC000451608813 388284033 /nfs/dbraw/zinc/28/40/33/388284033.db2.gz UFEYLNFGJRCTMF-UHTWSYAYSA-N 1 0 218.300 2.076 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C)c(C)s1 ZINC000451606795 388284103 /nfs/dbraw/zinc/28/41/03/388284103.db2.gz NYLYXHVMNHPGGD-MNOVXSKESA-N 1 0 238.356 2.193 20 30 BEEDRO C=C(C)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451613963 388284237 /nfs/dbraw/zinc/28/42/37/388284237.db2.gz NYUWVRGQKLXDHX-QWHCGFSZSA-N 1 0 213.365 2.441 20 30 BEEDRO C#CC(C)(C)N(C)Cc1oc(CC)nc1C ZINC000491314185 388284331 /nfs/dbraw/zinc/28/43/31/388284331.db2.gz DONMXYMSXIVGHZ-UHFFFAOYSA-N 1 0 220.316 2.389 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451613962 388284409 /nfs/dbraw/zinc/28/44/09/388284409.db2.gz NYUWVRGQKLXDHX-OLZOCXBDSA-N 1 0 213.365 2.441 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000491339645 388286343 /nfs/dbraw/zinc/28/63/43/388286343.db2.gz RHNAKELGVNDPPN-UHFFFAOYSA-N 1 0 225.332 2.062 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C)nc(Cl)c1 ZINC000491362057 388288131 /nfs/dbraw/zinc/28/81/31/388288131.db2.gz PDSNZWDOGBYUED-UHFFFAOYSA-N 1 0 222.719 2.499 20 30 BEEDRO C=CCOCCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451653716 388288411 /nfs/dbraw/zinc/28/84/11/388288411.db2.gz NCEVYPXTINEMJS-CYBMUJFWSA-N 1 0 241.400 2.407 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CCC(C)C ZINC000451677757 388289350 /nfs/dbraw/zinc/28/93/50/388289350.db2.gz CKJFWJDOGJKYON-MCIONIFRSA-N 1 0 241.375 2.107 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000491374724 388289651 /nfs/dbraw/zinc/28/96/51/388289651.db2.gz SJPFHWJUJLMXQD-LLVKDONJSA-N 1 0 203.285 2.149 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1(C)CCC1 ZINC000451681082 388289905 /nfs/dbraw/zinc/28/99/05/388289905.db2.gz LEPDYRICIRLZNF-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC000491375978 388289999 /nfs/dbraw/zinc/28/99/99/388289999.db2.gz YGOWRAYJFXYZMT-LBPRGKRZSA-N 1 0 215.296 2.213 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451719804 388291573 /nfs/dbraw/zinc/29/15/73/388291573.db2.gz XMZKUKIFALYIJU-MGPQQGTHSA-N 1 0 223.360 2.436 20 30 BEEDRO C#CC[N@H+](CC)CC/C=C\c1cncc(OC)c1 ZINC000491420386 388293434 /nfs/dbraw/zinc/29/34/34/388293434.db2.gz XPUJQTPASPADJS-VURMDHGXSA-N 1 0 244.338 2.449 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](CC)c1ccncc1 ZINC000491438963 388294938 /nfs/dbraw/zinc/29/49/38/388294938.db2.gz HELIBCHQLGUMGK-HNNXBMFYSA-N 1 0 245.370 2.077 20 30 BEEDRO C[N@H+](CC1(C#N)CC1)[C@@H](CO)CC(C)(C)C ZINC000451788413 388296721 /nfs/dbraw/zinc/29/67/21/388296721.db2.gz KWFHOJNDGDDAMS-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000491473620 388296768 /nfs/dbraw/zinc/29/67/68/388296768.db2.gz GCXKBYKRIGURJQ-NSHDSACASA-N 1 0 233.311 2.244 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000451810214 388297574 /nfs/dbraw/zinc/29/75/74/388297574.db2.gz KRDOZGFROZWZBE-CQSZACIVSA-N 1 0 247.313 2.192 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CCCCCC1 ZINC000491486092 388298251 /nfs/dbraw/zinc/29/82/51/388298251.db2.gz TXCXMJGWJWAMRL-LBPRGKRZSA-N 1 0 221.348 2.189 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])N1CCCCCC1 ZINC000491486091 388298335 /nfs/dbraw/zinc/29/83/35/388298335.db2.gz TXCXMJGWJWAMRL-GFCCVEGCSA-N 1 0 221.348 2.189 20 30 BEEDRO C#CC[N@H+](C)CC[C@H]1CC1(Cl)Cl ZINC000491494183 388298619 /nfs/dbraw/zinc/29/86/19/388298619.db2.gz BAJXZANRZNFZMW-QMMMGPOBSA-N 1 0 206.116 2.135 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451830336 388299370 /nfs/dbraw/zinc/29/93/70/388299370.db2.gz CKASSBLBLZKYPT-CHWSQXEVSA-N 1 0 239.359 2.078 20 30 BEEDRO CC(C)(C)CC(C)(C)[NH+]1CCN(CC#N)CC1 ZINC000451888890 388302759 /nfs/dbraw/zinc/30/27/59/388302759.db2.gz JNGSILJEBFZFQC-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCN(C(C)C)CC1)C(C)(C)C ZINC000491617653 388305028 /nfs/dbraw/zinc/30/50/28/388305028.db2.gz BKPOGCGPGQXRRJ-CQSZACIVSA-N 1 0 236.403 2.497 20 30 BEEDRO C#CC[N@@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000491651466 388308000 /nfs/dbraw/zinc/30/80/00/388308000.db2.gz GYIHIQNOQPNEPF-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc2c(C)cccn12 ZINC000491665264 388309525 /nfs/dbraw/zinc/30/95/25/388309525.db2.gz RRBNSZGIRKORQL-GFCCVEGCSA-N 1 0 227.311 2.144 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCCCCC=C)CC1 ZINC000491689299 388310913 /nfs/dbraw/zinc/31/09/13/388310913.db2.gz HUQMQTJSBPMCCA-UHFFFAOYSA-N 1 0 249.354 2.231 20 30 BEEDRO C#CCN(Cc1ncnn1C(C)C)C1CCCC1 ZINC000491695806 388311676 /nfs/dbraw/zinc/31/16/76/388311676.db2.gz NFLHLHDSMGBLES-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](COC)Cc1ccccc1 ZINC000491701115 388312494 /nfs/dbraw/zinc/31/24/94/388312494.db2.gz DZBLDEPPWGNVQF-GJZGRUSLSA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](COC)Cc1ccccc1 ZINC000491701113 388312628 /nfs/dbraw/zinc/31/26/28/388312628.db2.gz DZBLDEPPWGNVQF-CABCVRRESA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)CCc1ccccc1)C(C)C ZINC000491705251 388313072 /nfs/dbraw/zinc/31/30/72/388313072.db2.gz LOITUBZZMJAOMO-HZPDHXFCSA-N 1 0 245.366 2.228 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000491706871 388313217 /nfs/dbraw/zinc/31/32/17/388313217.db2.gz FHTAGPMOPVDIMN-FWPCIQOSSA-N 1 0 244.338 2.447 20 30 BEEDRO C#CC[N@H+](CC)CCCc1cc(CC)no1 ZINC000491740202 388316976 /nfs/dbraw/zinc/31/69/76/388316976.db2.gz DOQRYJNOJMKDBC-UHFFFAOYSA-N 1 0 220.316 2.125 20 30 BEEDRO C#CC[N@H+](CC[C@@H]1CCCCO1)C1CC1 ZINC000491742761 388317128 /nfs/dbraw/zinc/31/71/28/388317128.db2.gz TXPHADLJQJEGTO-ZDUSSCGKSA-N 1 0 207.317 2.043 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000491752051 388318030 /nfs/dbraw/zinc/31/80/30/388318030.db2.gz YUQARWVXLFVIAC-NSHDSACASA-N 1 0 248.326 2.001 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CC1Cc2ccccc2C1 ZINC000491770090 388319113 /nfs/dbraw/zinc/31/91/13/388319113.db2.gz OSXOOMCKVSJLPR-GFCCVEGCSA-N 1 0 213.324 2.355 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000491774473 388319673 /nfs/dbraw/zinc/31/96/73/388319673.db2.gz ACUCOGAABHBYMA-JTQLQIEISA-N 1 0 223.266 2.461 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](CCOC)c1ccccc1 ZINC000491776516 388319892 /nfs/dbraw/zinc/31/98/92/388319892.db2.gz WDNRWILEQQXVRL-AWEZNQCLSA-N 1 0 217.312 2.329 20 30 BEEDRO C#CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491778398 388320221 /nfs/dbraw/zinc/32/02/21/388320221.db2.gz YKGRERHRIGZQSJ-NEPJUHHUSA-N 1 0 237.343 2.062 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000491804296 388321745 /nfs/dbraw/zinc/32/17/45/388321745.db2.gz LMSRHIKUENAQKW-OAHLLOKOSA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000491806752 388322117 /nfs/dbraw/zinc/32/21/17/388322117.db2.gz RPIFDPAGCPZJSC-SNVBAGLBSA-N 1 0 218.256 2.048 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000491814321 388323326 /nfs/dbraw/zinc/32/33/26/388323326.db2.gz JPTAJQBMSXUTDU-LLVKDONJSA-N 1 0 215.296 2.075 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491818050 388323520 /nfs/dbraw/zinc/32/35/20/388323520.db2.gz WUQCDMHGGOXNEU-OCCSQVGLSA-N 1 0 242.322 2.479 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCCCCC(=O)OCC ZINC000491821278 388324143 /nfs/dbraw/zinc/32/41/43/388324143.db2.gz VANIXPKLYAVDPB-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360092 388265039 /nfs/dbraw/zinc/26/50/39/388265039.db2.gz KJSFJQGXSJGQJO-QPSCCSFWSA-N 1 0 233.355 2.333 20 30 BEEDRO C[C@@]12C[N@H+](CCOCCC#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451362153 388265304 /nfs/dbraw/zinc/26/53/04/388265304.db2.gz OUEWOKHQUQLLKJ-BARDWOONSA-N 1 0 246.354 2.061 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](C(F)(F)F)[C@@H]1C ZINC000491037085 388266734 /nfs/dbraw/zinc/26/67/34/388266734.db2.gz BPGDAZVDBITRFP-DTWKUNHWSA-N 1 0 205.223 2.282 20 30 BEEDRO C=C(CC)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451409947 388269975 /nfs/dbraw/zinc/26/99/75/388269975.db2.gz IPJDUYFNJLABOE-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000491164338 388273594 /nfs/dbraw/zinc/27/35/94/388273594.db2.gz AUPGYZJLRLHUKW-UHFFFAOYSA-N 1 0 248.370 2.431 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000451469286 388276747 /nfs/dbraw/zinc/27/67/47/388276747.db2.gz LWVATOJKVKBACR-TUAOUCFPSA-N 1 0 236.359 2.329 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CSC[C@H]1C)C(C)(C)C ZINC000491252935 388280103 /nfs/dbraw/zinc/28/01/03/388280103.db2.gz KNGWCFUOILUGCW-VWYCJHECSA-N 1 0 211.374 2.375 20 30 BEEDRO CCO[C@@H]1CC[N@H+](CC2(C#N)CCC2)C[C@H]1C ZINC000451544948 388280578 /nfs/dbraw/zinc/28/05/78/388280578.db2.gz QLQQGHIZSRNWOM-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[NH2+][C@H](C)C1CCN(C(=O)OC)CC1 ZINC000492349036 388342338 /nfs/dbraw/zinc/34/23/38/388342338.db2.gz GUUJYSSWQLRAEC-LLVKDONJSA-N 1 0 240.347 2.019 20 30 BEEDRO C[C@@H]1C[C@@H](C)[NH+]1CCOc1cccc(C#N)c1 ZINC000548753433 388367713 /nfs/dbraw/zinc/36/77/13/388367713.db2.gz WSJJOGSAALUFQH-VXGBXAGGSA-N 1 0 230.311 2.420 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCC[C@@H]1O ZINC000089883021 388370129 /nfs/dbraw/zinc/37/01/29/388370129.db2.gz MNDMZKITVXWZLG-GJZGRUSLSA-N 1 0 244.338 2.294 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C#N)cn1 ZINC000227920411 388373397 /nfs/dbraw/zinc/37/33/97/388373397.db2.gz BCWWOFPLJBOBKB-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCSCCNc1ncnc(N)c1Cl ZINC000236361206 388379433 /nfs/dbraw/zinc/37/94/33/388379433.db2.gz GQJGDEVOAHSZCK-UHFFFAOYSA-N 1 0 244.751 2.043 20 30 BEEDRO C[C@H](CNc1snc(Cl)c1C#N)[NH+](C)C ZINC000271285243 388380660 /nfs/dbraw/zinc/38/06/60/388380660.db2.gz HENFQNUYVNACIY-ZCFIWIBFSA-N 1 0 244.751 2.030 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1c1cccc(F)c1C#N ZINC000549253427 388380951 /nfs/dbraw/zinc/38/09/51/388380951.db2.gz VIQFANHYVCDAAY-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]C[C@H](C#N)CCC#N)OC ZINC000519690369 256656921 /nfs/dbraw/zinc/65/69/21/256656921.db2.gz GVPIKJMLSCFFQI-RWMBFGLXSA-N 1 0 237.347 2.081 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000519707317 256657508 /nfs/dbraw/zinc/65/75/08/256657508.db2.gz TYPQKEGWQDHVJT-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C[C@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@H]1C ZINC000595506106 388387939 /nfs/dbraw/zinc/38/79/39/388387939.db2.gz ZKIBCBHGHRRQFQ-RYUDHWBXSA-N 1 0 214.312 2.441 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@]1(C)CCCS1 ZINC000327808143 388390588 /nfs/dbraw/zinc/39/05/88/388390588.db2.gz VXYXLUDOTXHUNI-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000164688029 388397077 /nfs/dbraw/zinc/39/70/77/388397077.db2.gz JNKDIBVYZQREMR-NWDGAFQWSA-N 1 0 224.348 2.329 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000572992846 388403495 /nfs/dbraw/zinc/40/34/95/388403495.db2.gz BTMJSICPDHADHR-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCN(CC)CC1)C(C)(C)C ZINC000393785472 388441736 /nfs/dbraw/zinc/44/17/36/388441736.db2.gz XHDNHQCICDORRB-CYBMUJFWSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(OC)n1)C1CCCC1 ZINC000176379712 388452444 /nfs/dbraw/zinc/45/24/44/388452444.db2.gz VTFPUUMJXUDDTC-UHFFFAOYSA-N 1 0 244.338 2.468 20 30 BEEDRO C=CCCCC[NH+]1CCN(C(=O)C(C)C)CC1 ZINC000649225145 388462603 /nfs/dbraw/zinc/46/26/03/388462603.db2.gz ICZCWEYMYOEZQG-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccc(OC)c1 ZINC000649236556 388465291 /nfs/dbraw/zinc/46/52/91/388465291.db2.gz XXGOYXGGYPOYPQ-CQSZACIVSA-N 1 0 235.327 2.064 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000336702382 388465461 /nfs/dbraw/zinc/46/54/61/388465461.db2.gz OBKQOMWBYDHHRV-RYUDHWBXSA-N 1 0 217.316 2.352 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000309886744 388467403 /nfs/dbraw/zinc/46/74/03/388467403.db2.gz YUNXWVVRZZZICL-NTZNESFSSA-N 1 0 215.300 2.424 20 30 BEEDRO C[C@H](NCCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271934152 388414483 /nfs/dbraw/zinc/41/44/83/388414483.db2.gz MEDDDJVHDJSKRK-NSHDSACASA-N 1 0 249.333 2.300 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C#N)c(F)c1 ZINC000271943770 388414604 /nfs/dbraw/zinc/41/46/04/388414604.db2.gz MPJVLYAZPPJXDQ-CUOATXAZSA-N 1 0 248.301 2.261 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(O)c1Cl ZINC000328446032 388415283 /nfs/dbraw/zinc/41/52/83/388415283.db2.gz IUWUWGKLOVFXBF-UHFFFAOYSA-N 1 0 241.718 2.338 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000307765150 388425345 /nfs/dbraw/zinc/42/53/45/388425345.db2.gz PDPCOKJKMRDAKM-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443997155 388425658 /nfs/dbraw/zinc/42/56/58/388425658.db2.gz LNTZKLOUAPYEOU-LBPRGKRZSA-N 1 0 232.327 2.381 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443994713 388425818 /nfs/dbraw/zinc/42/58/18/388425818.db2.gz OYBIPWKXQLFSHH-NHYWBVRUSA-N 1 0 246.354 2.363 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@H]1C ZINC000245710179 388428775 /nfs/dbraw/zinc/42/87/75/388428775.db2.gz CHMPRNVVSJHUMM-ZJUUUORDSA-N 1 0 204.273 2.382 20 30 BEEDRO CC[N@H+](C[C@@H](C)O)[C@H](C)c1ccc(C#N)cc1 ZINC000245910499 388433474 /nfs/dbraw/zinc/43/34/74/388433474.db2.gz VNUWJRGDNKWOLX-VXGBXAGGSA-N 1 0 232.327 2.322 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308347897 388436524 /nfs/dbraw/zinc/43/65/24/388436524.db2.gz QUPPAFCZTWQHDX-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO CC[C@H](CCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000094948279 388436969 /nfs/dbraw/zinc/43/69/69/388436969.db2.gz XUYBCIXKFCKBRN-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000094949392 388438237 /nfs/dbraw/zinc/43/82/37/388438237.db2.gz QDDQZLVMGROEOG-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000649286690 388541694 /nfs/dbraw/zinc/54/16/94/388541694.db2.gz IWZFCIRPUBATFH-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C=C(\C)Cl ZINC000528522044 388542755 /nfs/dbraw/zinc/54/27/55/388542755.db2.gz QWSPXFZGRPVICL-PIOFTHJTSA-N 1 0 201.697 2.062 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@H](C#N)CCC#N ZINC000135248771 388486911 /nfs/dbraw/zinc/48/69/11/388486911.db2.gz WZNUUTOMOHRMOQ-LBPRGKRZSA-N 1 0 205.305 2.162 20 30 BEEDRO CC[C@@]1(C)C[N@H+](CCCCC#N)CCO1 ZINC000135589928 388501284 /nfs/dbraw/zinc/50/12/84/388501284.db2.gz QJACIAUXUMEYQW-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000178512856 388501790 /nfs/dbraw/zinc/50/17/90/388501790.db2.gz BWLFMPYDXQEHTN-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO CC#CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000548159392 388518743 /nfs/dbraw/zinc/51/87/43/388518743.db2.gz WMPYVGBQTJHUEE-UHFFFAOYSA-N 1 0 229.323 2.305 20 30 BEEDRO CC[C@@]1(C)CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528406916 388520570 /nfs/dbraw/zinc/52/05/70/388520570.db2.gz UJGYQKSLOBSATM-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528466691 388529949 /nfs/dbraw/zinc/52/99/49/388529949.db2.gz VTHFLCQBBYKWJM-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO CC1=C(C)C[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528490134 388531316 /nfs/dbraw/zinc/53/13/16/388531316.db2.gz SNMJQAIWLUJZCQ-ZDUSSCGKSA-N 1 0 234.343 2.083 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000550127933 388599731 /nfs/dbraw/zinc/59/97/31/388599731.db2.gz OYHJEFLMSMMNKS-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO CCC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000296196545 388601160 /nfs/dbraw/zinc/60/11/60/388601160.db2.gz BTKZHLMCFYPCCE-CQSZACIVSA-N 1 0 232.327 2.151 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+](CC)C[C@@H](C)CC ZINC000245762710 388603611 /nfs/dbraw/zinc/60/36/11/388603611.db2.gz IWYOMTPDULXIQV-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000550453724 388608953 /nfs/dbraw/zinc/60/89/53/388608953.db2.gz GCFYFVGQTXCLLK-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCC[C@H]1O ZINC000246084392 388615707 /nfs/dbraw/zinc/61/57/07/388615707.db2.gz CDDYHBRVIDGCPL-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)(C)OC(=O)C(C)(C)CC[NH2+]CCC#N ZINC000581127182 388571372 /nfs/dbraw/zinc/57/13/72/388571372.db2.gz MSYZFTATHBRQEW-UHFFFAOYSA-N 1 0 240.347 2.248 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787836 388573540 /nfs/dbraw/zinc/57/35/40/388573540.db2.gz IBDUCASSFGWJGV-LBPRGKRZSA-N 1 0 233.315 2.285 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787056 388573679 /nfs/dbraw/zinc/57/36/79/388573679.db2.gz FCCNFTNYBAWSEE-GFCCVEGCSA-N 1 0 246.314 2.013 20 30 BEEDRO CC#CC[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000528846633 388578633 /nfs/dbraw/zinc/57/86/33/388578633.db2.gz IZZRASKQJFZDJP-AWEZNQCLSA-N 1 0 230.311 2.154 20 30 BEEDRO C=C(C)CN1CC[S@](=O)C(CC)(CC)C1 ZINC000185236824 388585382 /nfs/dbraw/zinc/58/53/82/388585382.db2.gz ROFWJKXWDXPUAY-HNNXBMFYSA-N 1 0 229.389 2.186 20 30 BEEDRO CSCC[C@@H](C)[N@H+](C)CCCC#N ZINC000124822456 388665283 /nfs/dbraw/zinc/66/52/83/388665283.db2.gz RBKJZENAULPPKW-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO Cc1cc(C[N@H+](C)CC2CC(O)C2)ccc1C#N ZINC000488987546 388665487 /nfs/dbraw/zinc/66/54/87/388665487.db2.gz WXEFXGHOSKGFBC-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO CSCC[C@H](C)[N@H+](C)CCCC#N ZINC000124822254 388665877 /nfs/dbraw/zinc/66/58/77/388665877.db2.gz RBKJZENAULPPKW-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO N#Cc1csc(-c2nc(C3([NH3+])CCC3)no2)c1 ZINC000414621717 388666111 /nfs/dbraw/zinc/66/61/11/388666111.db2.gz BBPYHDAQPIPTCD-UHFFFAOYSA-N 1 0 246.295 2.008 20 30 BEEDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000112379688 388667324 /nfs/dbraw/zinc/66/73/24/388667324.db2.gz AKQGUFGQDVEILU-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO COC[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000112987562 388671225 /nfs/dbraw/zinc/67/12/25/388671225.db2.gz FKGGIQKDAFNPTL-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000521255178 388671506 /nfs/dbraw/zinc/67/15/06/388671506.db2.gz ZVTIBRCXKPELKP-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000418124234 388674535 /nfs/dbraw/zinc/67/45/35/388674535.db2.gz MCXSMBUQNWJVFI-UTUOFQBUSA-N 1 0 231.343 2.373 20 30 BEEDRO C#CC[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000125773560 388676323 /nfs/dbraw/zinc/67/63/23/388676323.db2.gz IGNXJSHMPNVEBX-UHFFFAOYSA-N 1 0 243.350 2.343 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000302610143 388623195 /nfs/dbraw/zinc/62/31/95/388623195.db2.gz NCXYOPULYWUCEI-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358588510 388624256 /nfs/dbraw/zinc/62/42/56/388624256.db2.gz LVQOXGKHQSSKOV-NXEZZACHSA-N 1 0 236.290 2.383 20 30 BEEDRO CC[N@H+](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC000358577850 388624445 /nfs/dbraw/zinc/62/44/45/388624445.db2.gz VKMAETGAHTZOFK-LLVKDONJSA-N 1 0 249.333 2.300 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000091393760 388629366 /nfs/dbraw/zinc/62/93/66/388629366.db2.gz IIHACSBDVNGLGA-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCCN1C ZINC000154608008 388634233 /nfs/dbraw/zinc/63/42/33/388634233.db2.gz QCQUIKGAZACIEJ-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1C#N ZINC000230156311 388634408 /nfs/dbraw/zinc/63/44/08/388634408.db2.gz WOWYINHCZJIRKW-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H](CO)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000230158158 388634462 /nfs/dbraw/zinc/63/44/62/388634462.db2.gz TVTZOHKJGSOQGW-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000230151638 388634763 /nfs/dbraw/zinc/63/47/63/388634763.db2.gz ASPMCMLHEGITRF-JOYOIKCWSA-N 1 0 236.340 2.277 20 30 BEEDRO C=C(CC)C[N@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000551720278 388638011 /nfs/dbraw/zinc/63/80/11/388638011.db2.gz RHKDEDSOZYISES-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CCC[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530237191 388638387 /nfs/dbraw/zinc/63/83/87/388638387.db2.gz UYMZXWBHOXGDEI-YNEHKIRRSA-N 1 0 232.714 2.481 20 30 BEEDRO C[N@H+](CCCCCO)Cc1cccc(C#N)c1 ZINC000061804113 388644871 /nfs/dbraw/zinc/64/48/71/388644871.db2.gz IVPCQBYDILSAQU-UHFFFAOYSA-N 1 0 232.327 2.153 20 30 BEEDRO C[C@@H](CNc1cc(C#N)ccn1)C[NH+]1CCCC1 ZINC000062075725 388649701 /nfs/dbraw/zinc/64/97/01/388649701.db2.gz WZJIQNIXSIOSME-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000063191725 388659662 /nfs/dbraw/zinc/65/96/62/388659662.db2.gz XVRSTOJMUBGRSL-DOMZBBRYSA-N 1 0 243.354 2.260 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000063191707 388659739 /nfs/dbraw/zinc/65/97/39/388659739.db2.gz LEZNUOQMVKRVSK-DOMZBBRYSA-N 1 0 243.354 2.260 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNCc1cccc(C#N)c1 ZINC000075757035 388661766 /nfs/dbraw/zinc/66/17/66/388661766.db2.gz RAVNYVSOYZGNHP-ZDUSSCGKSA-N 1 0 245.370 2.378 20 30 BEEDRO COCC[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000414478792 388664614 /nfs/dbraw/zinc/66/46/14/388664614.db2.gz GYKLNSKRTTYSDQ-LBPRGKRZSA-N 1 0 232.327 2.320 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H](O)C(C)C ZINC000414537714 388664636 /nfs/dbraw/zinc/66/46/36/388664636.db2.gz ZKXZNTPOKDOXDU-HUUCEWRRSA-N 1 0 246.354 2.443 20 30 BEEDRO CC[C@@H]([NH2+]CCN1CCC1)c1ccc(C#N)cc1 ZINC000447584079 388737136 /nfs/dbraw/zinc/73/71/36/388737136.db2.gz DPKJTTBLHMRKSG-OAHLLOKOSA-N 1 0 243.354 2.305 20 30 BEEDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000276896523 388742772 /nfs/dbraw/zinc/74/27/72/388742772.db2.gz IJXRDQUPGIYBBM-ZJUUUORDSA-N 1 0 236.290 2.383 20 30 BEEDRO CCOC[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093838907 388746308 /nfs/dbraw/zinc/74/63/08/388746308.db2.gz ZVEWUKXTTYGKMB-NSHDSACASA-N 1 0 234.299 2.010 20 30 BEEDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093760986 388746642 /nfs/dbraw/zinc/74/66/42/388746642.db2.gz LIOYCDMETXQEDA-SNVBAGLBSA-N 1 0 236.340 2.479 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)c1cccc(OC)c1 ZINC000194984325 388747765 /nfs/dbraw/zinc/74/77/65/388747765.db2.gz WHJAKYOPEBNDNW-NSHDSACASA-N 1 0 203.285 2.321 20 30 BEEDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000449377205 388748607 /nfs/dbraw/zinc/74/86/07/388748607.db2.gz RXYOKSASRFIGIA-AWEZNQCLSA-N 1 0 232.327 2.069 20 30 BEEDRO COCC1(C[NH2+]CC2(CC#N)CC2)CCC1 ZINC000390324951 388749098 /nfs/dbraw/zinc/74/90/98/388749098.db2.gz JDOCTSXDWVBFLI-UHFFFAOYSA-N 1 0 222.332 2.087 20 30 BEEDRO CC[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275616 388689250 /nfs/dbraw/zinc/68/92/50/388689250.db2.gz LZHOOPPJRCKJOC-HUUCEWRRSA-N 1 0 243.354 2.336 20 30 BEEDRO C[C@H](NCC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000423288820 388690133 /nfs/dbraw/zinc/69/01/33/388690133.db2.gz VGCVJDYZTFONLI-VIFPVBQESA-N 1 0 235.306 2.085 20 30 BEEDRO CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244049 388690201 /nfs/dbraw/zinc/69/02/01/388690201.db2.gz XDIYELUUCCUARQ-LSDHHAIUSA-N 1 0 243.354 2.351 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC23CCOCC3)s1 ZINC000370081899 388691775 /nfs/dbraw/zinc/69/17/75/388691775.db2.gz KPNLTMSXYJKRFM-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO C[C@H](NCC1([NH3+])CCC1)c1ccc(C#N)c(F)c1 ZINC000423325173 388691903 /nfs/dbraw/zinc/69/19/03/388691903.db2.gz LEQTXVROBGPTPR-JTQLQIEISA-N 1 0 247.317 2.229 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423374682 388692578 /nfs/dbraw/zinc/69/25/78/388692578.db2.gz HZGNQSDTFSXATO-MNOVXSKESA-N 1 0 249.333 2.346 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000248823757 388694731 /nfs/dbraw/zinc/69/47/31/388694731.db2.gz YUBPFISSJPNNIZ-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000527803860 388700694 /nfs/dbraw/zinc/70/06/94/388700694.db2.gz KZFHHMGBEVNHMR-NWJSVONSSA-N 1 0 244.338 2.460 20 30 BEEDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(C#N)s1 ZINC000527767718 388701322 /nfs/dbraw/zinc/70/13/22/388701322.db2.gz XZJWYGRIKJSGOS-TVQRCGJNSA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000249036263 388704237 /nfs/dbraw/zinc/70/42/37/388704237.db2.gz MRVKCTGEJUOQTH-RYUDHWBXSA-N 1 0 229.389 2.141 20 30 BEEDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)[nH]n1 ZINC000249046276 388705417 /nfs/dbraw/zinc/70/54/17/388705417.db2.gz WGAJRCKXKADZPH-CYZMBNFOSA-N 1 0 246.358 2.321 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000193545106 388707983 /nfs/dbraw/zinc/70/79/83/388707983.db2.gz JBLVPDFJJHYTSN-IUODEOHRSA-N 1 0 231.405 2.432 20 30 BEEDRO CC[C@@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000126953985 388709895 /nfs/dbraw/zinc/70/98/95/388709895.db2.gz XNHWDMWPRYDOPI-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCC)c1ccccc1 ZINC000193630782 388711868 /nfs/dbraw/zinc/71/18/68/388711868.db2.gz YWBIIIJXGYUSIL-AWEZNQCLSA-N 1 0 246.354 2.420 20 30 BEEDRO Cn1ccc(C[NH2+]Cc2ccc(C#N)cc2)c1 ZINC000080794517 388713765 /nfs/dbraw/zinc/71/37/65/388713765.db2.gz RTKKAXABBXPBFG-UHFFFAOYSA-N 1 0 225.295 2.187 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)CCOC ZINC000127134213 388715915 /nfs/dbraw/zinc/71/59/15/388715915.db2.gz LUKPYBUHPGIJOS-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C[NH2+][C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000116942585 388718189 /nfs/dbraw/zinc/71/81/89/388718189.db2.gz XSNGVPNDYRCNOF-JTQLQIEISA-N 1 0 235.718 2.010 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC23CCOCC3)c1 ZINC000376494934 388722977 /nfs/dbraw/zinc/72/29/77/388722977.db2.gz JTBXAGIQHBYDBB-UHFFFAOYSA-N 1 0 242.322 2.313 20 30 BEEDRO N#Cc1ccc2ncc(C[NH+]3CCCCC3)n2c1 ZINC000092107075 388733130 /nfs/dbraw/zinc/73/31/30/388733130.db2.gz VMVPQRSIZHAXPG-UHFFFAOYSA-N 1 0 240.310 2.192 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000229522260 388791822 /nfs/dbraw/zinc/79/18/22/388791822.db2.gz HHOXKKZNVDZJNI-SNVBAGLBSA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000229883241 388802951 /nfs/dbraw/zinc/80/29/51/388802951.db2.gz SXRDIFKWDFMOEB-AAEUAGOBSA-N 1 0 217.312 2.325 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000229901398 388804609 /nfs/dbraw/zinc/80/46/09/388804609.db2.gz BSVVDALYPVPOLA-JTQLQIEISA-N 1 0 204.298 2.121 20 30 BEEDRO Cc1cc(NCCc2cccc(C#N)c2)cc[nH+]1 ZINC000359931067 177708011 /nfs/dbraw/zinc/70/80/11/177708011.db2.gz WXUZHDNZTFKCRF-UHFFFAOYSA-N 1 0 237.306 2.338 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000282309724 388814696 /nfs/dbraw/zinc/81/46/96/388814696.db2.gz MWPFUPNVAZAVEN-MNOVXSKESA-N 1 0 234.299 2.151 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000541719498 388864799 /nfs/dbraw/zinc/86/47/99/388864799.db2.gz AUJAFONJFMUEDR-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])NC1CCCCC1 ZINC000233294552 388865061 /nfs/dbraw/zinc/86/50/61/388865061.db2.gz SWJQJVOEOIYMRK-NSHDSACASA-N 1 0 221.348 2.235 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000556235159 388871788 /nfs/dbraw/zinc/87/17/88/388871788.db2.gz KOCNLGQPFQNSAB-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000556226356 388872500 /nfs/dbraw/zinc/87/25/00/388872500.db2.gz FAPDSOUVWVQDKX-CQSZACIVSA-N 1 0 241.375 2.328 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000648763564 388846203 /nfs/dbraw/zinc/84/62/03/388846203.db2.gz HSEBUMJKSJXSLF-DGAVXFQQSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCOC1 ZINC000337217676 388851192 /nfs/dbraw/zinc/85/11/92/388851192.db2.gz JOSAGJCYJOLSQQ-IUODEOHRSA-N 1 0 244.338 2.267 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000037508473 388886075 /nfs/dbraw/zinc/88/60/75/388886075.db2.gz AKMPZUPEZBBLAJ-DGCLKSJQSA-N 1 0 230.311 2.245 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCCOC1 ZINC000107064510 388875847 /nfs/dbraw/zinc/87/58/47/388875847.db2.gz ZAWMCCMXGHSWDQ-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCCN2CCC2)CC1 ZINC000565607614 388958299 /nfs/dbraw/zinc/95/82/99/388958299.db2.gz KWJBSZVUCURSDU-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO C=C(C)C[N@@H+]1CCN(CC(F)F)[C@H](CC)C1 ZINC000153530113 388982206 /nfs/dbraw/zinc/98/22/06/388982206.db2.gz JFVAZVYYDMCIOG-LLVKDONJSA-N 1 0 232.318 2.224 20 30 BEEDRO C=CCCCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000565991442 388982460 /nfs/dbraw/zinc/98/24/60/388982460.db2.gz MEEKZRMSYXIFNI-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO C#CC[N@@H+](CCC(=O)OC(C)C)C1CCCC1 ZINC000155831235 389011699 /nfs/dbraw/zinc/01/16/99/389011699.db2.gz PRDVVLABJIWYBG-UHFFFAOYSA-N 1 0 237.343 2.206 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000274412919 389047182 /nfs/dbraw/zinc/04/71/82/389047182.db2.gz DXYYFKOQWLFTSY-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C=CCOCCC[NH+]1CCC(C=C)CC1 ZINC000348057175 136032014 /nfs/dbraw/zinc/03/20/14/136032014.db2.gz SOINNPXHQNKOFY-UHFFFAOYSA-N 1 0 209.333 2.477 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000289319280 533233651 /nfs/dbraw/zinc/23/36/51/533233651.db2.gz FNYBOWLLTQPBDI-DOMZBBRYSA-N 1 0 249.329 2.385 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000123099452 533234520 /nfs/dbraw/zinc/23/45/20/533234520.db2.gz IXUDPUSSFHAJHQ-VXGBXAGGSA-N 1 0 245.322 2.348 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000377708770 533234960 /nfs/dbraw/zinc/23/49/60/533234960.db2.gz YZQNQYUGPJJYRJ-SNVBAGLBSA-N 1 0 243.285 2.327 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1cccc(CC)c1 ZINC000263065045 533235346 /nfs/dbraw/zinc/23/53/46/533235346.db2.gz YVPGIEZBXYSIJH-LBPRGKRZSA-N 1 0 229.327 2.387 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccn(C)c1)C(C)(C)C ZINC000290269463 533266665 /nfs/dbraw/zinc/26/66/65/533266665.db2.gz XQTJYMYDOXKCKC-GFCCVEGCSA-N 1 0 204.317 2.163 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262319007 533298697 /nfs/dbraw/zinc/29/86/97/533298697.db2.gz VFBHPHYLFGLDLG-SECBINFHSA-N 1 0 237.253 2.103 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000263026900 533299537 /nfs/dbraw/zinc/29/95/37/533299537.db2.gz UCYTXSMKPOIABK-GFCCVEGCSA-N 1 0 229.327 2.387 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN2CC=CCC2)cc1 ZINC000289707936 533341827 /nfs/dbraw/zinc/34/18/27/533341827.db2.gz NXKWXHCUQUMHDZ-UHFFFAOYSA-N 1 0 240.350 2.019 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@](C)(CC)CCO)cc1 ZINC000290542234 533343771 /nfs/dbraw/zinc/34/37/71/533343771.db2.gz YSENLOPMJHNCMS-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO C=C(C)CC[N@@H+](C)C1(C(=O)OC)CCCC1 ZINC000351769524 533484974 /nfs/dbraw/zinc/48/49/74/533484974.db2.gz ZDVKICZZQSYQMM-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000362147261 533532760 /nfs/dbraw/zinc/53/27/60/533532760.db2.gz PTEBOHBDOBQEIB-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340378628 533541882 /nfs/dbraw/zinc/54/18/82/533541882.db2.gz DHRBINAGSJEULN-AGIUHOORSA-N 1 0 239.359 2.125 20 30 BEEDRO N#Cc1ccc(N2CCC([NH2+]CCF)CC2)cc1 ZINC000287723221 132215900 /nfs/dbraw/zinc/21/59/00/132215900.db2.gz YBRFUXLVKRVNJK-UHFFFAOYSA-N 1 0 247.317 2.086 20 30 BEEDRO N#Cc1cc(Cl)ccc1N1CCC[C@@H]([NH3+])C1 ZINC000052858723 132229497 /nfs/dbraw/zinc/22/94/97/132229497.db2.gz TWOBESLZARRPJF-LLVKDONJSA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000070175038 132230330 /nfs/dbraw/zinc/23/03/30/132230330.db2.gz RMCKOVRUAZBXRG-MNOVXSKESA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000070174956 132230432 /nfs/dbraw/zinc/23/04/32/132230432.db2.gz AAKMYCWIYGCKHK-YPMHNXCESA-N 1 0 229.327 2.122 20 30 BEEDRO C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1[NH3+] ZINC000094342411 132238886 /nfs/dbraw/zinc/23/88/86/132238886.db2.gz BWXNGWWLJOAHQQ-CABZTGNLSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@@H]([NH3+])C1CCN(c2ccc(C#N)cc2)CC1 ZINC000110651824 132268279 /nfs/dbraw/zinc/26/82/79/132268279.db2.gz FRPGNGBKHMNLGG-LLVKDONJSA-N 1 0 229.327 2.122 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000276032512 132306480 /nfs/dbraw/zinc/30/64/80/132306480.db2.gz RSRSFHQHLHMOHI-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000034575213 132312434 /nfs/dbraw/zinc/31/24/34/132312434.db2.gz YCQNSAKOFYYABG-UWVGGRQHSA-N 1 0 249.745 2.398 20 30 BEEDRO CC[NH+]1CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000052859539 132362752 /nfs/dbraw/zinc/36/27/52/132362752.db2.gz JARRVORCZUATHL-UHFFFAOYSA-N 1 0 249.745 2.354 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CC2(C1)CCCOC2 ZINC001172496777 974848272 /nfs/dbraw/zinc/84/82/72/974848272.db2.gz QNYGCUWVHYWQOO-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000309002216 133453121 /nfs/dbraw/zinc/45/31/21/133453121.db2.gz OLOMXNHHCMCCCB-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1([S@@](C)=O)CC1 ZINC000309166672 133464402 /nfs/dbraw/zinc/46/44/02/133464402.db2.gz JHDNQVHCDDXAQC-IAQYHMDHSA-N 1 0 229.389 2.232 20 30 BEEDRO C=CC1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000336691612 133536496 /nfs/dbraw/zinc/53/64/96/133536496.db2.gz IJCPGLFFPNYFOT-UHFFFAOYSA-N 1 0 233.359 2.398 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[N@H+](C)C(C)C ZINC000343625527 133699706 /nfs/dbraw/zinc/69/97/06/133699706.db2.gz RRBLUJIZWNNRJH-CQSZACIVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000335915550 133992695 /nfs/dbraw/zinc/99/26/95/133992695.db2.gz QWUHBDHOZAUZFH-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO Cc1cnc(NC(=O)C2CC[NH+](C3CC3)CC2)o1 ZINC000330115638 133996990 /nfs/dbraw/zinc/99/69/90/133996990.db2.gz FTNONKKAQBFNAX-UHFFFAOYSA-N 1 0 249.314 2.445 20 30 BEEDRO N#C[C@H]1CC[C@@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)C1 ZINC000331484997 134000600 /nfs/dbraw/zinc/00/06/00/134000600.db2.gz AHFJQVPVFMCKHT-IDTSFGKNSA-N 1 0 241.338 2.413 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000332238775 134004695 /nfs/dbraw/zinc/00/46/95/134004695.db2.gz SYIBHZFLDANXLF-REWJHTLYSA-N 1 0 236.359 2.352 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCOC3(CCCC3)C2)C1 ZINC000335929123 134009766 /nfs/dbraw/zinc/00/97/66/134009766.db2.gz IWAKGQYNAUHJAS-STQMWFEESA-N 1 0 234.343 2.324 20 30 BEEDRO C=C(C)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000336066841 134070664 /nfs/dbraw/zinc/07/06/64/134070664.db2.gz WFZVUKUCCXAEAM-UHFFFAOYSA-N 1 0 227.373 2.161 20 30 BEEDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000336072938 134072135 /nfs/dbraw/zinc/07/21/35/134072135.db2.gz RCBOTTHXPAHRLM-LBPRGKRZSA-N 1 0 249.339 2.367 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCOC[C@H]2C)ccc1C#N ZINC000336096712 134080629 /nfs/dbraw/zinc/08/06/29/134080629.db2.gz RIWWRPYVJHJKFX-DOMZBBRYSA-N 1 0 244.338 2.381 20 30 BEEDRO CC#CC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000336119509 134090117 /nfs/dbraw/zinc/09/01/17/134090117.db2.gz YBDIEKIZBSPLSX-TZMCWYRMSA-N 1 0 214.312 2.488 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000336131821 134094794 /nfs/dbraw/zinc/09/47/94/134094794.db2.gz COZPOOMGAKPPTJ-YGRLFVJLSA-N 1 0 248.301 2.212 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000336147522 134102962 /nfs/dbraw/zinc/10/29/62/134102962.db2.gz IKSLNGMCTVNYHZ-RYUDHWBXSA-N 1 0 217.316 2.304 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c[nH]nc1C ZINC000336364162 134144896 /nfs/dbraw/zinc/14/48/96/134144896.db2.gz LZOCUNFDKDEBPG-GFCCVEGCSA-N 1 0 205.305 2.259 20 30 BEEDRO N#CC1(F)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000352490522 134146769 /nfs/dbraw/zinc/14/67/69/134146769.db2.gz JQCDHDDKARDATF-NSHDSACASA-N 1 0 208.280 2.423 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C1CC[NH+](C)CC1 ZINC000352546641 134148269 /nfs/dbraw/zinc/14/82/69/134148269.db2.gz YIFZLIQOLUGDJP-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H]1COc1ccccc1 ZINC000112984107 134161341 /nfs/dbraw/zinc/16/13/41/134161341.db2.gz KHOWKMFFEWBYBR-ZDUSSCGKSA-N 1 0 215.296 2.163 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000353146548 134161831 /nfs/dbraw/zinc/16/18/31/134161831.db2.gz XZUUPGRSCBRGDF-QWHCGFSZSA-N 1 0 237.343 2.084 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000353170358 134162539 /nfs/dbraw/zinc/16/25/39/134162539.db2.gz GPJAEPHABVIMBH-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000353568218 134164443 /nfs/dbraw/zinc/16/44/43/134164443.db2.gz PHHXSRMFHBBRNV-GXTWGEPZSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccccc1OCC ZINC000353569425 134164454 /nfs/dbraw/zinc/16/44/54/134164454.db2.gz CQUVMQOZSREBIE-NEPJUHHUSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353595284 134164645 /nfs/dbraw/zinc/16/46/45/134164645.db2.gz JBAYIQOXVYQVFC-DZGCQCFKSA-N 1 0 242.322 2.072 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1CC[C@@H](OC)C1 ZINC000353904209 134165435 /nfs/dbraw/zinc/16/54/35/134165435.db2.gz XZSJHVJLYLUUSS-CQSZACIVSA-N 1 0 247.338 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YQXKHHFHZZMWMF-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1CC1 ZINC000357623902 134184640 /nfs/dbraw/zinc/18/46/40/134184640.db2.gz UKEGHYLISWDMSI-LLVKDONJSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCc1ncn(C)n1 ZINC000358410805 134188075 /nfs/dbraw/zinc/18/80/75/134188075.db2.gz YBXBISHTXBCNPP-LBPRGKRZSA-N 1 0 236.363 2.082 20 30 BEEDRO C=C(C)CN1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000358826085 134192870 /nfs/dbraw/zinc/19/28/70/134192870.db2.gz OYXCDOJUWHXEIA-CHWSQXEVSA-N 1 0 240.416 2.074 20 30 BEEDRO C=CCOCCC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361415559 134204993 /nfs/dbraw/zinc/20/49/93/134204993.db2.gz OVEPUKZATPBWFX-ZDUSSCGKSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000361689448 134207395 /nfs/dbraw/zinc/20/73/95/134207395.db2.gz LQPGQUJTHOWFMD-NSHDSACASA-N 1 0 233.302 2.291 20 30 BEEDRO CC(C)[N@@H+](CC#Cc1ccccc1)C[C@@H](C)O ZINC000361833687 134207759 /nfs/dbraw/zinc/20/77/59/134207759.db2.gz PACPRLBCPDYOQO-CQSZACIVSA-N 1 0 231.339 2.129 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@H]1CC[C@@H](C)C1 ZINC000362149701 134208788 /nfs/dbraw/zinc/20/87/88/134208788.db2.gz NIGAFDXWUHKTGF-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000362158768 134209125 /nfs/dbraw/zinc/20/91/25/134209125.db2.gz IYZGJJWWLQBHIB-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000362157898 134209211 /nfs/dbraw/zinc/20/92/11/134209211.db2.gz QYWOUOPFACALHV-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000362299337 134209785 /nfs/dbraw/zinc/20/97/85/134209785.db2.gz ZWJJRPZTROYRDB-WCQYABFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@H](C)Nc1nc(N[C@@H](C)C=C)ncc1C ZINC000362560841 134211840 /nfs/dbraw/zinc/21/18/40/134211840.db2.gz ONUUEHHBCPIEJA-MNOVXSKESA-N 1 0 232.331 2.180 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000367449019 134215539 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ZINC000226595558 134367424 /nfs/dbraw/zinc/36/74/24/134367424.db2.gz FKISAHGXQSHTFC-FRRDWIJNSA-N 1 0 224.348 2.472 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH+](CC)CC ZINC000184900244 134370067 /nfs/dbraw/zinc/37/00/67/134370067.db2.gz QZTFTGRFBSXUNQ-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000184945963 134371346 /nfs/dbraw/zinc/37/13/46/134371346.db2.gz AYPAMWPNXCDRJG-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000184928130 134371550 /nfs/dbraw/zinc/37/15/50/134371550.db2.gz CBIHKDQFBMNFMP-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000185106140 134374507 /nfs/dbraw/zinc/37/45/07/134374507.db2.gz RZKBGFFAHUNOLY-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC1CC[NH+](C)CC1 ZINC000185389435 134377247 /nfs/dbraw/zinc/37/72/47/134377247.db2.gz NQHPGRDRHHJGHN-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000185404364 134379120 /nfs/dbraw/zinc/37/91/20/134379120.db2.gz OUXFFFASDJZEGL-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000185447420 134380568 /nfs/dbraw/zinc/38/05/68/134380568.db2.gz CQZQZWDOUQRDMT-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000185430837 134380622 /nfs/dbraw/zinc/38/06/22/134380622.db2.gz VOGRSVRQAFJHEN-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779290 134394683 /nfs/dbraw/zinc/39/46/83/134394683.db2.gz NHQHCLHVXSGTRO-QLFBSQMISA-N 1 0 249.402 2.390 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccoc2)C1 ZINC000185793997 134394765 /nfs/dbraw/zinc/39/47/65/134394765.db2.gz GTGBFEKSWOLDTN-CMPLNLGQSA-N 1 0 204.273 2.452 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000102488722 134477326 /nfs/dbraw/zinc/47/73/26/134477326.db2.gz NBNZCTFRMVWLCG-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@@H]2CCCO2)cc1C ZINC000104152287 134484129 /nfs/dbraw/zinc/48/41/29/134484129.db2.gz MYIMWESWWQLQTL-ZDUSSCGKSA-N 1 0 247.342 2.209 20 30 BEEDRO C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H](C)CO ZINC000235485971 134592875 /nfs/dbraw/zinc/59/28/75/134592875.db2.gz IPPHXFIKDCXXPK-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO COC1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000309661665 134598789 /nfs/dbraw/zinc/59/87/89/134598789.db2.gz RODHFUKAWPTKEB-IGJPJIBNSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309840722 134599393 /nfs/dbraw/zinc/59/93/93/134599393.db2.gz CZFZUFJSXPMENU-QNWHQSFQSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339722974 134606826 /nfs/dbraw/zinc/60/68/26/134606826.db2.gz ADMPYEOFZPSAEV-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO CCC[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000126821635 134610325 /nfs/dbraw/zinc/61/03/25/134610325.db2.gz HBWQVKSGLBAVPU-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)CCC(C)C)C1CC1 ZINC000361302880 134830358 /nfs/dbraw/zinc/83/03/58/134830358.db2.gz AAOBSGPYKGLTIF-CYBMUJFWSA-N 1 0 211.349 2.434 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(CC)s1 ZINC000104172044 134855096 /nfs/dbraw/zinc/85/50/96/134855096.db2.gz QZPQQWFXJZSMQD-UHFFFAOYSA-N 1 0 225.361 2.125 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336650394 134887676 /nfs/dbraw/zinc/88/76/76/134887676.db2.gz INYJQDDYCVRBSC-NXEZZACHSA-N 1 0 212.362 2.267 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336653210 134888619 /nfs/dbraw/zinc/88/86/19/134888619.db2.gz JAVRTNVYVRZIDS-VHSXEESVSA-N 1 0 235.249 2.099 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336669589 134895621 /nfs/dbraw/zinc/89/56/21/134895621.db2.gz MUOJGIXUWXMXGT-GRYCIOLGSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)C1CC1 ZINC000336737884 134919995 /nfs/dbraw/zinc/91/99/95/134919995.db2.gz QPNXEKQBDUTPSG-QWHCGFSZSA-N 1 0 211.349 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0 215.362 2.015 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cccc(C)n1 ZINC000339038281 135052238 /nfs/dbraw/zinc/05/22/38/135052238.db2.gz HJTDUUQJMSRUKL-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000339027358 135052529 /nfs/dbraw/zinc/05/25/29/135052529.db2.gz YNGJPUNZWQOCIL-ZDUSSCGKSA-N 1 0 220.316 2.354 20 30 BEEDRO CCC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339059142 135055326 /nfs/dbraw/zinc/05/53/26/135055326.db2.gz NSRPDZCXEVYTFC-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3CC3)C2)C1 ZINC000339060445 135055604 /nfs/dbraw/zinc/05/56/04/135055604.db2.gz XCEUCMNYPIWMFP-RTXFEEFZSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCCO1 ZINC000339079024 135056701 /nfs/dbraw/zinc/05/67/01/135056701.db2.gz RKNPAZHDWOXSIR-AWEZNQCLSA-N 1 0 235.327 2.489 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(CCCO)CC2)C1 ZINC000339081957 135056889 /nfs/dbraw/zinc/05/68/89/135056889.db2.gz PJZDTZAOIPZZAH-KGLIPLIRSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339138190 135061000 /nfs/dbraw/zinc/06/10/00/135061000.db2.gz UWMBJGXTYRDNJQ-SRVKXCTJSA-N 1 0 224.373 2.364 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H]1CC[C@@H](C#N)C1 ZINC000339192682 135065315 /nfs/dbraw/zinc/06/53/15/135065315.db2.gz JCYGUASHUGESHH-KBXIAJHMSA-N 1 0 247.386 2.237 20 30 BEEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)ccn1 ZINC000339205418 135066099 /nfs/dbraw/zinc/06/60/99/135066099.db2.gz LUUYWLVBAJFPTO-GVXVVHGQSA-N 1 0 245.326 2.433 20 30 BEEDRO COc1cccc(C[NH2+]CCCCC#N)c1OC ZINC000237260955 135070113 /nfs/dbraw/zinc/07/01/13/135070113.db2.gz GCRIGVDXGZADCY-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000237817455 135072522 /nfs/dbraw/zinc/07/25/22/135072522.db2.gz WGMYOKNSNNTEDX-UHFFFAOYSA-N 1 0 228.299 2.346 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC2(C#N)CCOCC2)[C@H]1C ZINC000339576714 135075557 /nfs/dbraw/zinc/07/55/57/135075557.db2.gz LXPUNWQDFWYXHL-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000339563912 135076030 /nfs/dbraw/zinc/07/60/30/135076030.db2.gz MYABPAUMMWBSGS-AGIUHOORSA-N 1 0 238.375 2.140 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000339678586 135077158 /nfs/dbraw/zinc/07/71/58/135077158.db2.gz IBAWVDUYTPQHEY-LBPRGKRZSA-N 1 0 204.317 2.412 20 30 BEEDRO C=CCC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339699816 135078071 /nfs/dbraw/zinc/07/80/71/135078071.db2.gz HZBFPVTUCBYVAK-ZDUSSCGKSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000308566091 135079152 /nfs/dbraw/zinc/07/91/52/135079152.db2.gz YIKMZIDDLWXVLW-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000308534627 135079166 /nfs/dbraw/zinc/07/91/66/135079166.db2.gz CZUXPQICGYYZJI-SFYZADRCSA-N 1 0 206.211 2.221 20 30 BEEDRO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1C ZINC000251868311 135080584 /nfs/dbraw/zinc/08/05/84/135080584.db2.gz OUFJCJGTNDNHOD-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO CC#CCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339769123 135081803 /nfs/dbraw/zinc/08/18/03/135081803.db2.gz KUHTXCZCGCYJCR-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCOCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339772470 135081907 /nfs/dbraw/zinc/08/19/07/135081907.db2.gz NZNIQLUDQNKLOY-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339818522 135083074 /nfs/dbraw/zinc/08/30/74/135083074.db2.gz CLTNGOUBRHJTBL-KBPBESRZSA-N 1 0 241.375 2.060 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCCO1 ZINC000339819427 135083500 /nfs/dbraw/zinc/08/35/00/135083500.db2.gz UUOUGVCLQBYXOE-MJBXVCDLSA-N 1 0 236.359 2.426 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000086500202 135087305 /nfs/dbraw/zinc/08/73/05/135087305.db2.gz SWDKFKUCLZWVLW-SNVBAGLBSA-N 1 0 236.340 2.136 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000086500319 135088268 /nfs/dbraw/zinc/08/82/68/135088268.db2.gz DQYKDZUFEQAJIL-NWDGAFQWSA-N 1 0 236.340 2.013 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000086500318 135088509 /nfs/dbraw/zinc/08/85/09/135088509.db2.gz DQYKDZUFEQAJIL-VXGBXAGGSA-N 1 0 236.340 2.013 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)C1CC1 ZINC000252729840 135103748 /nfs/dbraw/zinc/10/37/48/135103748.db2.gz INTAAMDQMSLWPG-RBOXIYTFSA-N 1 0 243.416 2.478 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2cccc3ccccc32)N1 ZINC000261554979 135108370 /nfs/dbraw/zinc/10/83/70/135108370.db2.gz BEITTXQEGMMEAN-NSHDSACASA-N 1 0 239.322 2.277 20 30 BEEDRO C[C@H]1C[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262301873 135117483 /nfs/dbraw/zinc/11/74/83/135117483.db2.gz QLAWQZMGAMGDHR-JGVFFNPUSA-N 1 0 239.269 2.347 20 30 BEEDRO C[NH+]=C(NCc1cccn1C)NC1CCCCC1 ZINC000262398805 135118055 /nfs/dbraw/zinc/11/80/55/135118055.db2.gz NHDWHBGWMDYGLG-UHFFFAOYSA-N 1 0 248.374 2.023 20 30 BEEDRO C[C@H]1C[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262281889 135118165 /nfs/dbraw/zinc/11/81/65/135118165.db2.gz LDEIXTWGAWZYDX-RCOVLWMOSA-N 1 0 225.242 2.100 20 30 BEEDRO C[NH+]=C(NC1CCC1)N1CCc2ccccc2C1 ZINC000262342590 135118234 /nfs/dbraw/zinc/11/82/34/135118234.db2.gz CTXNSSJMALBPDE-UHFFFAOYSA-N 1 0 243.354 2.173 20 30 BEEDRO CNC(=[NH2+])N1CC[C@@H](CSc2ccccc2)C1 ZINC000262420400 135119105 /nfs/dbraw/zinc/11/91/05/135119105.db2.gz AXDWZWKZRBKPML-LLVKDONJSA-N 1 0 249.383 2.045 20 30 BEEDRO CN1CC[NH+]=C1N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000262633263 135119754 /nfs/dbraw/zinc/11/97/54/135119754.db2.gz GEDGFYRPLVQATR-NWDGAFQWSA-N 1 0 249.745 2.087 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)c2cccc(F)c2)N1 ZINC000262628854 135119806 /nfs/dbraw/zinc/11/98/06/135119806.db2.gz FFMGMLNNVQWUMY-SNVBAGLBSA-N 1 0 249.333 2.041 20 30 BEEDRO CCc1ccc(CC[NH+]=C(N(C)C)N(C)C)cc1 ZINC000262546802 135119881 /nfs/dbraw/zinc/11/98/81/135119881.db2.gz VMRIAEBWMRUXFD-UHFFFAOYSA-N 1 0 247.386 2.271 20 30 BEEDRO CN1CC[NH+]=C1NCc1ccc(C(F)F)cc1 ZINC000262662361 135120265 /nfs/dbraw/zinc/12/02/65/135120265.db2.gz NFWXXMRILFXVNT-UHFFFAOYSA-N 1 0 239.269 2.015 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC2CC(c3ccccc3)C2)N1 ZINC000262669235 135120385 /nfs/dbraw/zinc/12/03/85/135120385.db2.gz QHYUBYQMKHCGLP-LKSINWNRSA-N 1 0 243.354 2.118 20 30 BEEDRO Cc1cccc(C(C)(C)CNC2=[NH+]CCN2C)c1 ZINC000262665271 135120486 /nfs/dbraw/zinc/12/04/86/135120486.db2.gz OJLDNXFKJLFHQY-UHFFFAOYSA-N 1 0 245.370 2.164 20 30 BEEDRO C[C@H]1C[NH+]=C(N[C@H]2C[C@H](c3cccc(F)c3)C2)N1 ZINC000262663341 135120567 /nfs/dbraw/zinc/12/05/67/135120567.db2.gz NQCAWNXESDNVPA-GAFUQQFSSA-N 1 0 247.317 2.009 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)c2ccccc2F)N1 ZINC000262643439 135120744 /nfs/dbraw/zinc/12/07/44/135120744.db2.gz IHRHAGUXKRYUCS-SNVBAGLBSA-N 1 0 249.333 2.041 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253099100 135120867 /nfs/dbraw/zinc/12/08/67/135120867.db2.gz UNARQJJREUOCPU-MCIONIFRSA-N 1 0 221.344 2.025 20 30 BEEDRO C[C@@H](CNC1=[NH+]CCN1C)Sc1ccccc1 ZINC000262671008 135121086 /nfs/dbraw/zinc/12/10/86/135121086.db2.gz QZSDBFZJERVQJQ-NSHDSACASA-N 1 0 249.383 2.058 20 30 BEEDRO C[C@@H]1C[NH+]=C(N[C@@H]2C[C@H]2c2cccc(Cl)c2)N1 ZINC000262680822 135121255 /nfs/dbraw/zinc/12/12/55/135121255.db2.gz WEERECPHOKEYFW-JFUSQASVSA-N 1 0 249.745 2.133 20 30 BEEDRO CCSc1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262718797 135121604 /nfs/dbraw/zinc/12/16/04/135121604.db2.gz UIDAXWCWLQJWGI-UHFFFAOYSA-N 1 0 249.383 2.190 20 30 BEEDRO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCc2ccccc2C1 ZINC000263269461 135125947 /nfs/dbraw/zinc/12/59/47/135125947.db2.gz WHYRCFNGQKRBFM-BXUZGUMPSA-N 1 0 243.354 2.029 20 30 BEEDRO C[NH+]=C(N[C@@H]1C[C@H]1C)N1CCc2ccccc21 ZINC000263231755 135125978 /nfs/dbraw/zinc/12/59/78/135125978.db2.gz IHTXZDRSNLKPSX-ZYHUDNBSSA-N 1 0 229.327 2.033 20 30 BEEDRO C[N@H+](CCCCC#N)[C@@H](CO)c1ccccc1 ZINC000264032278 135130458 /nfs/dbraw/zinc/13/04/58/135130458.db2.gz PQLIYGZGVSONKV-AWEZNQCLSA-N 1 0 232.327 2.346 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C)c(OC)c1 ZINC000264077317 135131860 /nfs/dbraw/zinc/13/18/60/135131860.db2.gz GFZILFSDCXWZKQ-NSHDSACASA-N 1 0 249.358 2.206 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CC=CCC1 ZINC000264074456 135131923 /nfs/dbraw/zinc/13/19/23/135131923.db2.gz FEKMPMJNEUOUJU-MNOVXSKESA-N 1 0 209.337 2.046 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCc1ccc(F)cc1 ZINC000264077803 135132007 /nfs/dbraw/zinc/13/20/07/135132007.db2.gz HVYZDWDPDYIVFE-JTQLQIEISA-N 1 0 237.322 2.071 20 30 BEEDRO CNC(NCC(C)(C)c1cccc(C)c1)=[NH+]C ZINC000264092813 135132389 /nfs/dbraw/zinc/13/23/89/135132389.db2.gz LKMWDPXMBKHVIN-UHFFFAOYSA-N 1 0 233.359 2.067 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(F)cc1 ZINC000264121058 135134402 /nfs/dbraw/zinc/13/44/02/135134402.db2.gz QZUQVCJOCRRUMK-SECBINFHSA-N 1 0 223.295 2.029 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCOc1ccccc1C ZINC000264125034 135134406 /nfs/dbraw/zinc/13/44/06/135134406.db2.gz WAPVARNGJDUAOL-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)c1ccccc1C ZINC000264127099 135134479 /nfs/dbraw/zinc/13/44/79/135134479.db2.gz WRMCYZWQRTYOJK-UHFFFAOYSA-N 1 0 233.359 2.197 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(C)cc1C ZINC000264120896 135134492 /nfs/dbraw/zinc/13/44/92/135134492.db2.gz UXYNJXVHTSRKOT-UHFFFAOYSA-N 1 0 219.332 2.118 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCCOC)c1 ZINC000264146149 135135750 /nfs/dbraw/zinc/13/57/50/135135750.db2.gz YAHAIPCLGXQKJO-UHFFFAOYSA-N 1 0 235.331 2.012 20 30 BEEDRO CCCNC(=[NH2+])NCc1c(F)cccc1Cl ZINC000264148338 135135951 /nfs/dbraw/zinc/13/59/51/135135951.db2.gz YNPXXIYOAWLKJP-UHFFFAOYSA-N 1 0 243.713 2.293 20 30 BEEDRO CN(C)C(=[NH+]C1CC(c2ccccc2)C1)N(C)C ZINC000264284805 135137404 /nfs/dbraw/zinc/13/74/04/135137404.db2.gz OLPQYBYECFULRH-UHFFFAOYSA-N 1 0 245.370 2.412 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccco2)CC1 ZINC000259326342 135142903 /nfs/dbraw/zinc/14/29/03/135142903.db2.gz WWTYGUKCKWRERM-UHFFFAOYSA-N 1 0 204.273 2.405 20 30 BEEDRO CNC(=[NH2+])NCCCc1ccc(C(C)C)cc1 ZINC000265299600 135143771 /nfs/dbraw/zinc/14/37/71/135143771.db2.gz JEBGCBXAARKYIX-UHFFFAOYSA-N 1 0 233.359 2.277 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH+]1CCC(CC#N)CC1 ZINC000259896300 135145219 /nfs/dbraw/zinc/14/52/19/135145219.db2.gz LWASKJBQKCRJSH-UHFFFAOYSA-N 1 0 232.331 2.152 20 30 BEEDRO C[NH+]=C(NC[C@@H](C)c1ccc(C)cc1)NC1CC1 ZINC000265682180 135145673 /nfs/dbraw/zinc/14/56/73/135145673.db2.gz CDWXEPCZKGFEDK-GFCCVEGCSA-N 1 0 245.370 2.426 20 30 BEEDRO C[C@@H]1[C@@H](Cc2ccccc2)CCN1CC#N ZINC000266906178 135150573 /nfs/dbraw/zinc/15/05/73/135150573.db2.gz BKDGTXDKQGBHDT-TZMCWYRMSA-N 1 0 214.312 2.463 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]CC[C@@H](C)O ZINC000078781168 135151255 /nfs/dbraw/zinc/15/12/55/135151255.db2.gz SZXOWIPOJQOISW-GFCCVEGCSA-N 1 0 235.327 2.112 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)Cc1ccccc1 ZINC000267436356 135154446 /nfs/dbraw/zinc/15/44/46/135154446.db2.gz NZPIUDIVTRCBPR-UHFFFAOYSA-N 1 0 233.359 2.180 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267464596 135154754 /nfs/dbraw/zinc/15/47/54/135154754.db2.gz WBFZMCNEHFWSIR-LBPRGKRZSA-N 1 0 232.331 2.283 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268214907 135158008 /nfs/dbraw/zinc/15/80/08/135158008.db2.gz BDYBUOYLBJKAHK-STQMWFEESA-N 1 0 248.326 2.471 20 30 BEEDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000087608482 135159437 /nfs/dbraw/zinc/15/94/37/135159437.db2.gz XKIGFNSMSDPPGV-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@H](C)CO1 ZINC000087608481 135159442 /nfs/dbraw/zinc/15/94/42/135159442.db2.gz XKIGFNSMSDPPGV-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO Cc1ncc([C@@H](C)[NH2+]CCCCC#N)c(C)n1 ZINC000268862632 135162404 /nfs/dbraw/zinc/16/24/04/135162404.db2.gz JWSZVBPGUWAOGW-SNVBAGLBSA-N 1 0 232.331 2.438 20 30 BEEDRO CC[N@H+](CCO)Cc1ccccc1C(C)(C)C#N ZINC000268955424 135163729 /nfs/dbraw/zinc/16/37/29/135163729.db2.gz GXFGIECDVWMRKY-UHFFFAOYSA-N 1 0 246.354 2.302 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCC1(C2CC2)CC1 ZINC000269707518 135167252 /nfs/dbraw/zinc/16/72/52/135167252.db2.gz OYPJVCVLXKQJJB-UHFFFAOYSA-N 1 0 247.342 2.135 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000261536162 135171113 /nfs/dbraw/zinc/17/11/13/135171113.db2.gz QOYJRBJEEZVDAD-YUMQZZPRSA-N 1 0 223.707 2.359 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(N)s1 ZINC000261536637 135171866 /nfs/dbraw/zinc/17/18/66/135171866.db2.gz SGOQUYSQVFVTQU-SECBINFHSA-N 1 0 223.345 2.266 20 30 BEEDRO CCN(CCC#N)CCN1CCc2ccccc21 ZINC000292396076 135175648 /nfs/dbraw/zinc/17/56/48/135175648.db2.gz IWNFZPHXAJXWJB-UHFFFAOYSA-N 1 0 243.354 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@@H]1C ZINC000293045392 135179035 /nfs/dbraw/zinc/17/90/35/135179035.db2.gz RCFVZXZLBZAVEN-VXGBXAGGSA-N 1 0 230.311 2.429 20 30 BEEDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CCCC#N ZINC000293523936 135181343 /nfs/dbraw/zinc/18/13/43/135181343.db2.gz DIHATAYAKKAEBV-LLVKDONJSA-N 1 0 218.300 2.217 20 30 BEEDRO C[C@@H]1CCN(Cc2ccc(C#N)cc2)[C@H](C[NH3+])C1 ZINC000261549108 135187712 /nfs/dbraw/zinc/18/77/12/135187712.db2.gz GZMZCMJNYMOFDR-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@H]1C ZINC000353576797 135190759 /nfs/dbraw/zinc/19/07/59/135190759.db2.gz ADJBFWLQIWQYTC-REBRKWNGSA-N 1 0 231.339 2.315 20 30 BEEDRO Cc1nc(N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000261555656 135195314 /nfs/dbraw/zinc/19/53/14/135195314.db2.gz BPKYPJPQRGCNFL-AAEUAGOBSA-N 1 0 244.342 2.062 20 30 BEEDRO Cc1nc(N[C@H](C)[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000261555659 135195493 /nfs/dbraw/zinc/19/54/93/135195493.db2.gz BPKYPJPQRGCNFL-YPMHNXCESA-N 1 0 244.342 2.062 20 30 BEEDRO Cc1nc(N[C@H]2CCCC[C@H]2C[NH3+])ccc1C#N ZINC000261555668 135195568 /nfs/dbraw/zinc/19/55/68/135195568.db2.gz BPQKXXDHQWJRCX-STQMWFEESA-N 1 0 244.342 2.191 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccccn1 ZINC000298893820 135200732 /nfs/dbraw/zinc/20/07/32/135200732.db2.gz LOCBXVKFJSXEEN-QWRGUYRKSA-N 1 0 203.289 2.424 20 30 BEEDRO COc1cc(C[N@H+](C)CCCC#N)cc(OC)c1 ZINC000299110431 135202266 /nfs/dbraw/zinc/20/22/66/135202266.db2.gz AVCPNSUZBPVNIE-UHFFFAOYSA-N 1 0 248.326 2.439 20 30 BEEDRO CC(C)c1ccc(CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000261565802 135208060 /nfs/dbraw/zinc/20/80/60/135208060.db2.gz YNPXRWSNBKEBBR-NSHDSACASA-N 1 0 231.343 2.247 20 30 BEEDRO Cc1ccoc1CNC(=[NH2+])NC1CCCCC1 ZINC000261567133 135209577 /nfs/dbraw/zinc/20/95/77/135209577.db2.gz ZQNOUJOQXKBDCK-UHFFFAOYSA-N 1 0 235.331 2.325 20 30 BEEDRO C[C@H](O)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000163957143 135211398 /nfs/dbraw/zinc/21/13/98/135211398.db2.gz BRLSBMHEMADFGA-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H]([NH2+]CC1(O)CCC1)c1cccc(C#N)c1 ZINC000163951656 135211688 /nfs/dbraw/zinc/21/16/88/135211688.db2.gz XEVOUTFTUGAWPP-LLVKDONJSA-N 1 0 230.311 2.124 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1nncn1CC)C1CC1 ZINC000120202638 135218971 /nfs/dbraw/zinc/21/89/71/135218971.db2.gz XUTHDAFZIHZLIW-LBPRGKRZSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)COc1cc(C)ccc1C ZINC000121177064 135222282 /nfs/dbraw/zinc/22/22/82/135222282.db2.gz WGRSCGWYKBLFHV-CQSZACIVSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000121224982 135222812 /nfs/dbraw/zinc/22/28/12/135222812.db2.gz JVVGEUOCLJWHIF-UHFFFAOYSA-N 1 0 218.300 2.133 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC[C@H]2CCC[C@@H](C)C2)N1 ZINC000261582359 135223572 /nfs/dbraw/zinc/22/35/72/135223572.db2.gz OGCDFHREMCNKET-IJLUTSLNSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000121223572 135223857 /nfs/dbraw/zinc/22/38/57/135223857.db2.gz AQKZCWQFCTXAHM-UHFFFAOYSA-N 1 0 216.284 2.055 20 30 BEEDRO Cc1nc(NC[C@]2(C)CCC[NH2+]C2)ccc1C#N ZINC000261583451 135223986 /nfs/dbraw/zinc/22/39/86/135223986.db2.gz RTOLYYSOLILOJL-CQSZACIVSA-N 1 0 244.342 2.063 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)COc1cc(C)cc(C)c1 ZINC000121443203 135224434 /nfs/dbraw/zinc/22/44/34/135224434.db2.gz MBYZPDRQZOQABE-AWEZNQCLSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)OCc1ccccc1 ZINC000121617839 135225570 /nfs/dbraw/zinc/22/55/70/135225570.db2.gz RZMCJDNHKKXGAA-UHFFFAOYSA-N 1 0 233.311 2.238 20 30 BEEDRO Cc1nc(NCC2(C)CC[NH2+]CC2)ccc1C#N ZINC000261586592 135227808 /nfs/dbraw/zinc/22/78/08/135227808.db2.gz UMPZNVGTKVITKB-UHFFFAOYSA-N 1 0 244.342 2.063 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000341119377 135233873 /nfs/dbraw/zinc/23/38/73/135233873.db2.gz BVJHDWCCNUZNFV-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1c(F)cccc1F ZINC000341266660 135235105 /nfs/dbraw/zinc/23/51/05/135235105.db2.gz ANRQWIGRQVFFJJ-SNVBAGLBSA-N 1 0 241.281 2.239 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000341266777 135235119 /nfs/dbraw/zinc/23/51/19/135235119.db2.gz BUQVMDRZQVPUGJ-LOWVWBTDSA-N 1 0 233.359 2.457 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(F)c(F)c1 ZINC000341296291 135235463 /nfs/dbraw/zinc/23/54/63/135235463.db2.gz JFLIQCFFWLVZPR-LLVKDONJSA-N 1 0 241.281 2.239 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[NH+]1CCCC1 ZINC000341376848 135237260 /nfs/dbraw/zinc/23/72/60/135237260.db2.gz QWQNEDZUIWOKGX-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(F)c(C)c1 ZINC000341394993 135237733 /nfs/dbraw/zinc/23/77/33/135237733.db2.gz YOAPZYYLNIERPK-CYBMUJFWSA-N 1 0 237.318 2.408 20 30 BEEDRO N#Cc1cc(NCC2([NH3+])CCCCC2)ccn1 ZINC000261545959 135238822 /nfs/dbraw/zinc/23/88/22/135238822.db2.gz GLYDUQDGIHWONB-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341797708 135242640 /nfs/dbraw/zinc/24/26/40/135242640.db2.gz LFWXSGOWHWURCY-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341789115 135243170 /nfs/dbraw/zinc/24/31/70/135243170.db2.gz BOZGVEWOPYKBCT-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CC[NH+]=C(NCC(C)C)NC[C@@H]1CCCS1 ZINC000261662590 135243607 /nfs/dbraw/zinc/24/36/07/135243607.db2.gz AYQBNRIYQNLUPR-NSHDSACASA-N 1 0 243.420 2.093 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000341874503 135244000 /nfs/dbraw/zinc/24/40/00/135244000.db2.gz GTYOEXOFXNXDFC-RYUDHWBXSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000341882912 135244018 /nfs/dbraw/zinc/24/40/18/135244018.db2.gz HRGXFQUFEGWURH-GHMZBOCLSA-N 1 0 238.306 2.056 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@H]2CCCO[C@H]21 ZINC000366756832 135246367 /nfs/dbraw/zinc/24/63/67/135246367.db2.gz LTRXSTJYDVFYQZ-JHJVBQTASA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCNC(=[NH+]CC)N1CC[C@](C)(CC)C1 ZINC000261746737 135249958 /nfs/dbraw/zinc/24/99/58/135249958.db2.gz LKMNZEZRNZZZDD-ZDUSSCGKSA-N 1 0 223.364 2.260 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CC[C@](C)(CC)C1 ZINC000261756458 135250112 /nfs/dbraw/zinc/25/01/12/135250112.db2.gz MNQWOQKMTAXGBA-OWRWYXLESA-N 1 0 211.353 2.046 20 30 BEEDRO N#CCCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342196018 135250463 /nfs/dbraw/zinc/25/04/63/135250463.db2.gz QVZPDXLMPAPIPE-UHFFFAOYSA-N 1 0 244.294 2.298 20 30 BEEDRO CN(C(=[NH2+])NC[C@H]1CCCC(F)(F)C1)C1CC1 ZINC000261911718 135262215 /nfs/dbraw/zinc/26/22/15/135262215.db2.gz YDXPFRUTXFVGJK-VIFPVBQESA-N 1 0 245.317 2.221 20 30 BEEDRO CN(C)C(=[NH+]Cc1cc2ccccc2[nH]1)N(C)C ZINC000261973070 135268067 /nfs/dbraw/zinc/26/80/67/135268067.db2.gz DWKBFLAVKCSYFP-UHFFFAOYSA-N 1 0 244.342 2.147 20 30 BEEDRO C[C@H]1CCC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261986381 135269724 /nfs/dbraw/zinc/26/97/24/135269724.db2.gz KDJMIQAZWKGDGB-RYUDHWBXSA-N 1 0 225.380 2.292 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@H]1c1ccccc1)N(C)C ZINC000261995644 135270463 /nfs/dbraw/zinc/27/04/63/135270463.db2.gz NPGJKIBIVRCIGE-STQMWFEESA-N 1 0 231.343 2.022 20 30 BEEDRO CNC(N[C@H]1C[C@H](c2ccccc2C)C1)=[NH+]C ZINC000262220898 135285216 /nfs/dbraw/zinc/28/52/16/135285216.db2.gz VKHJIEBRMBOCEV-HAQNSBGRSA-N 1 0 231.343 2.036 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1)C1CC1 ZINC000262245062 135287520 /nfs/dbraw/zinc/28/75/20/135287520.db2.gz ONQSDDKYWGTMEK-GXTWGEPZSA-N 1 0 243.354 2.027 20 30 BEEDRO CN(C)C(=[NH+]CC1CCCCC1)N(C)C ZINC000262305707 135291922 /nfs/dbraw/zinc/29/19/22/135291922.db2.gz OJTPNHYLSOTRFY-UHFFFAOYSA-N 1 0 211.353 2.046 20 30 BEEDRO CC1(C)C(NC(=[NH2+])Nc2ccccn2)C1(C)C ZINC000262405269 135295403 /nfs/dbraw/zinc/29/54/03/135295403.db2.gz KQRFBDFKKVAWRQ-UHFFFAOYSA-N 1 0 232.331 2.243 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC(C)C)c1ccc(Cl)cc1 ZINC000262394823 135298624 /nfs/dbraw/zinc/29/86/24/135298624.db2.gz SNFUBZSXPAYGNM-GFCCVEGCSA-N 1 0 249.745 2.327 20 30 BEEDRO CCC1(C[NH+]=C(N(C)C)N(C)C)CCCC1 ZINC000262464620 135301080 /nfs/dbraw/zinc/30/10/80/135301080.db2.gz YDMHLVFYUISMGN-UHFFFAOYSA-N 1 0 225.380 2.436 20 30 BEEDRO CCC(CC)(CC)CNC1=[NH+]C[C@@H](C)N1 ZINC000262477827 135301553 /nfs/dbraw/zinc/30/15/53/135301553.db2.gz CLJUEAVIBRIWNS-SNVBAGLBSA-N 1 0 211.353 2.140 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@@H]2CC[C@@H]2C)c1 ZINC000262625740 135309286 /nfs/dbraw/zinc/30/92/86/135309286.db2.gz DILOEPUQQGMBTK-JOYOIKCWSA-N 1 0 233.315 2.220 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[NH2+]CC1CC1 ZINC000262622810 135309595 /nfs/dbraw/zinc/30/95/95/135309595.db2.gz HFPFUNJXOTXFLE-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@H](c2ccccc2)C2CC2)N1 ZINC000262638101 135310618 /nfs/dbraw/zinc/31/06/18/135310618.db2.gz ITQCSLANUIONDW-BXUZGUMPSA-N 1 0 243.354 2.118 20 30 BEEDRO COCC[C@@H]1CCCC[N@H+](CC2(C#N)CC2)C1 ZINC000342748083 135310806 /nfs/dbraw/zinc/31/08/06/135310806.db2.gz MXMMHAZFSIZBGW-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO CCC1(CNC2=[NH+]C[C@@H](C)N2)CCCCC1 ZINC000262651990 135311339 /nfs/dbraw/zinc/31/13/39/135311339.db2.gz KPRZTPATZIPWOT-LLVKDONJSA-N 1 0 223.364 2.284 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000342717490 135314183 /nfs/dbraw/zinc/31/41/83/135314183.db2.gz FWZRWMHZIXXWED-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn2ccsc2n1 ZINC000342735148 135316171 /nfs/dbraw/zinc/31/61/71/135316171.db2.gz ODTHHHALNZKVSR-UHFFFAOYSA-N 1 0 221.329 2.404 20 30 BEEDRO CCC1(C[NH+]=C(N(C)C)N(C)C)CCC1 ZINC000262763927 135317346 /nfs/dbraw/zinc/31/73/46/135317346.db2.gz GBYFBHFTESFMOP-UHFFFAOYSA-N 1 0 211.353 2.046 20 30 BEEDRO C[NH+]=C(NC1CCC1)N1C[C@H](C)C[C@@H](C)C1 ZINC000262787451 135318082 /nfs/dbraw/zinc/31/80/82/135318082.db2.gz MUWQSGLYWANSIW-GHMZBOCLSA-N 1 0 223.364 2.092 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000342765278 135326585 /nfs/dbraw/zinc/32/65/85/135326585.db2.gz MKQFDNODFDNXTM-UHFFFAOYSA-N 1 0 226.364 2.140 20 30 BEEDRO CC(C)NC(=[NH2+])NCC1(C2CCC2)CCC1 ZINC000263043754 135329179 /nfs/dbraw/zinc/32/91/79/135329179.db2.gz CRVKQMJESHGYAT-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[C@H]2C2CC2)C1 ZINC000263046833 135329357 /nfs/dbraw/zinc/32/93/57/135329357.db2.gz DBDDSIDXAVIYEN-WXHSDQCUSA-N 1 0 235.375 2.079 20 30 BEEDRO C[C@@H]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@@H]1C ZINC000263058337 135330004 /nfs/dbraw/zinc/33/00/04/135330004.db2.gz FGDRCLURXVZQST-IJLUTSLNSA-N 1 0 223.364 2.079 20 30 BEEDRO CN(C(=[NH2+])NC[C@H]1CCC[C@H]1C1CC1)C1CC1 ZINC000263064912 135330405 /nfs/dbraw/zinc/33/04/05/135330405.db2.gz FZPQYYHHFXDQQW-YPMHNXCESA-N 1 0 235.375 2.222 20 30 BEEDRO CN(C(=[NH2+])N[C@H]1C[C@]1(F)c1ccccc1)C1CC1 ZINC000263078977 135331230 /nfs/dbraw/zinc/33/12/30/135331230.db2.gz RBPVCKFZEHVKDS-JSGCOSHPSA-N 1 0 247.317 2.033 20 30 BEEDRO CN(C(=[NH2+])N[C@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000263078975 135331330 /nfs/dbraw/zinc/33/13/30/135331330.db2.gz RBPVCKFZEHVKDS-GXTWGEPZSA-N 1 0 247.317 2.033 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263086937 135331920 /nfs/dbraw/zinc/33/19/20/135331920.db2.gz IMBXKDHTCLRHNV-GWCFXTLKSA-N 1 0 232.331 2.243 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000263094731 135332950 /nfs/dbraw/zinc/33/29/50/135332950.db2.gz JEEMXHGMWBJDDP-TUAOUCFPSA-N 1 0 223.364 2.140 20 30 BEEDRO [NH2+]=C(NC[C@H](c1ccccc1)C1CC1)N1CCC1 ZINC000263119649 135334347 /nfs/dbraw/zinc/33/43/47/135334347.db2.gz LWDPELZDECIECM-CQSZACIVSA-N 1 0 243.354 2.201 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263133783 135335157 /nfs/dbraw/zinc/33/51/57/135335157.db2.gz NKRPCWVRVLFRNX-SNVBAGLBSA-N 1 0 249.383 2.190 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CCCC1(C)C)N(C)C ZINC000263150394 135335583 /nfs/dbraw/zinc/33/55/83/135335583.db2.gz PIPKEFRTPYINND-NSHDSACASA-N 1 0 225.380 2.292 20 30 BEEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])Nc2cccc(C)c2)C1 ZINC000263158217 135336431 /nfs/dbraw/zinc/33/64/31/135336431.db2.gz QHOJNLZJRKLFRM-BETUJISGSA-N 1 0 247.342 2.289 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@H]1CCC1(C)C ZINC000263186103 135337839 /nfs/dbraw/zinc/33/78/39/135337839.db2.gz WUVZIYAJEPDOGT-NSHDSACASA-N 1 0 235.331 2.133 20 30 BEEDRO [NH2+]=C(NCC1=CCCCC1)NCC1CCC1 ZINC000263198107 135338504 /nfs/dbraw/zinc/33/85/04/135338504.db2.gz WUCNPGBQNLLORD-UHFFFAOYSA-N 1 0 221.348 2.191 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1C1CC1)NC1CCC1 ZINC000263207839 135339669 /nfs/dbraw/zinc/33/96/69/135339669.db2.gz YOJYEULTJPBKMV-DGCLKSJQSA-N 1 0 235.375 2.270 20 30 BEEDRO CC[C@H]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000263213073 135339965 /nfs/dbraw/zinc/33/99/65/135339965.db2.gz ZKYTXBKLTCFHFI-RYUDHWBXSA-N 1 0 223.364 2.094 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263235608 135342106 /nfs/dbraw/zinc/34/21/06/135342106.db2.gz DKELYEYDLIFEOT-NXEZZACHSA-N 1 0 209.337 2.022 20 30 BEEDRO CCNC(NCc1cc(F)ccc1F)=[NH+]CC ZINC000264377446 135361976 /nfs/dbraw/zinc/36/19/76/135361976.db2.gz XVBNCGJISVMZTE-UHFFFAOYSA-N 1 0 241.285 2.040 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000265783552 135363403 /nfs/dbraw/zinc/36/34/03/135363403.db2.gz GMVISAZBJOQLGN-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000273118278 135366124 /nfs/dbraw/zinc/36/61/24/135366124.db2.gz YYJXLRGVWNHOHB-UHFFFAOYSA-N 1 0 217.247 2.091 20 30 BEEDRO CCOc1ccccc1C[NH2+]CCCC#N ZINC000273056618 135366246 /nfs/dbraw/zinc/36/62/46/135366246.db2.gz LNLKEMZHPKBFNQ-UHFFFAOYSA-N 1 0 218.300 2.479 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cc(F)ccc1O ZINC000273371388 135366486 /nfs/dbraw/zinc/36/64/86/135366486.db2.gz AOUQWBYQOGNOLI-VIFPVBQESA-N 1 0 222.263 2.486 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000280238965 135369398 /nfs/dbraw/zinc/36/93/98/135369398.db2.gz YERZVOYOGWKINV-LBPRGKRZSA-N 1 0 207.321 2.427 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(C)nc1C ZINC000281122802 135370325 /nfs/dbraw/zinc/37/03/25/135370325.db2.gz AMSOUNRJCRPETA-GFCCVEGCSA-N 1 0 207.321 2.173 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284342812 135371926 /nfs/dbraw/zinc/37/19/26/135371926.db2.gz RGYKNRRHZZGGBE-UONOGXRCSA-N 1 0 216.328 2.207 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)nn1C ZINC000284102499 135371980 /nfs/dbraw/zinc/37/19/80/135371980.db2.gz BVMKHVCWDFLGRH-SNVBAGLBSA-N 1 0 207.321 2.173 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(C#N)o2)C[C@@H]1C ZINC000334366268 135373864 /nfs/dbraw/zinc/37/38/64/135373864.db2.gz IZZVHWVDXMYJEY-RYUDHWBXSA-N 1 0 247.342 2.066 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(SC)cc1 ZINC000289741362 135373889 /nfs/dbraw/zinc/37/38/89/135373889.db2.gz GWEPVYIWWAFCDG-LLVKDONJSA-N 1 0 223.341 2.045 20 30 BEEDRO CC#CC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292331220 135375593 /nfs/dbraw/zinc/37/55/93/135375593.db2.gz GBNOCRIDZPFGNH-GWCFXTLKSA-N 1 0 235.352 2.363 20 30 BEEDRO COCC(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000291859125 135375832 /nfs/dbraw/zinc/37/58/32/135375832.db2.gz GJZPFXQYXIRSFH-UHFFFAOYSA-N 1 0 235.331 2.086 20 30 BEEDRO C[C@@H](c1ccncc1)[N@H+](C)CCOCCC#N ZINC000293715968 135376516 /nfs/dbraw/zinc/37/65/16/135376516.db2.gz FFFOCLNJCWEDMV-LBPRGKRZSA-N 1 0 233.315 2.005 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293755615 135376531 /nfs/dbraw/zinc/37/65/31/135376531.db2.gz JJQJXBLAPIGWIK-GFCCVEGCSA-N 1 0 218.300 2.267 20 30 BEEDRO COc1ccccc1[C@@H](C)[NH2+]CCOCCC#N ZINC000293768579 135376656 /nfs/dbraw/zinc/37/66/56/135376656.db2.gz KSMLAWWAIROSNX-GFCCVEGCSA-N 1 0 248.326 2.276 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccco2)C1 ZINC000295094493 135378993 /nfs/dbraw/zinc/37/89/93/135378993.db2.gz RXHDHMCNOBRHBI-QWRGUYRKSA-N 1 0 204.273 2.452 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000334388215 135384626 /nfs/dbraw/zinc/38/46/26/135384626.db2.gz QGTVBWREAVIFOU-SMDDNHRTSA-N 1 0 230.311 2.340 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CC[C@H](C)O)cc1 ZINC000078781584 135395456 /nfs/dbraw/zinc/39/54/56/135395456.db2.gz SZMMGPPLVDNEGR-LBPRGKRZSA-N 1 0 235.327 2.112 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164575510 135405862 /nfs/dbraw/zinc/40/58/62/135405862.db2.gz NTQRBVBRKNWVEV-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO Cc1cc(N2CCC(F)(C#N)CC2)cc[nH+]1 ZINC000343224085 135454419 /nfs/dbraw/zinc/45/44/19/135454419.db2.gz IOHLDPIVXSNQSX-UHFFFAOYSA-N 1 0 219.263 2.222 20 30 BEEDRO C=Cn1cc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=C)C)cn1 ZINC000280645873 135497982 /nfs/dbraw/zinc/49/79/82/135497982.db2.gz NRZAUQHYGUSBLB-UONOGXRCSA-N 1 0 247.342 2.054 20 30 BEEDRO C=CCCC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000285070583 135554360 /nfs/dbraw/zinc/55/43/60/135554360.db2.gz JFPDBAFECSUEDD-ZDUSSCGKSA-N 1 0 221.348 2.464 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)CC[C@@H](C)[NH3+] ZINC000193200940 135586367 /nfs/dbraw/zinc/58/63/67/135586367.db2.gz ZXFXBNSSGLRPAD-CYBMUJFWSA-N 1 0 246.354 2.329 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)cc1 ZINC000289216368 135612622 /nfs/dbraw/zinc/61/26/22/135612622.db2.gz JALRRGPINMESLE-HZPDHXFCSA-N 1 0 243.350 2.261 20 30 BEEDRO C=CCSCC[NH2+]C[C@H]1CCC=CO1 ZINC000194423747 135635988 /nfs/dbraw/zinc/63/59/88/135635988.db2.gz YLIPFALYQRMGBD-LLVKDONJSA-N 1 0 213.346 2.188 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCCN1C ZINC000344330445 135762569 /nfs/dbraw/zinc/76/25/69/135762569.db2.gz VBOIDQSNMJLYOL-DOMZBBRYSA-N 1 0 243.354 2.131 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000344721550 135793102 /nfs/dbraw/zinc/79/31/02/135793102.db2.gz JFGDUVFKECQSCU-CQSZACIVSA-N 1 0 248.326 2.446 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000335281866 136000359 /nfs/dbraw/zinc/00/03/59/136000359.db2.gz XMGQFWCXOANRTQ-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000347702693 136007597 /nfs/dbraw/zinc/00/75/97/136007597.db2.gz JPANXWQSVUHUHR-UTUOFQBUSA-N 1 0 238.375 2.091 20 30 BEEDRO CC#CC[NH2+][C@H](CC(=O)OC)C1CCCCC1 ZINC000347970151 136017728 /nfs/dbraw/zinc/01/77/28/136017728.db2.gz WLDQZUWBNGIXEF-CYBMUJFWSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCOCCC[N@H+]1CCSC[C@H]1C ZINC000348061612 136024540 /nfs/dbraw/zinc/02/45/40/136024540.db2.gz UEQYRAIMZXICQX-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000348061499 136024936 /nfs/dbraw/zinc/02/49/36/136024936.db2.gz YWKPBYMWOOMLDA-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[N@@H+]1CCCC2(CC2)C1 ZINC000348049606 136030752 /nfs/dbraw/zinc/03/07/52/136030752.db2.gz PEMMVBOYCIYOIW-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@H](COCC)C1 ZINC000348048573 136030800 /nfs/dbraw/zinc/03/08/00/136030800.db2.gz MZPIEQYRTZEVRH-CQSZACIVSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000348158840 136041222 /nfs/dbraw/zinc/04/12/22/136041222.db2.gz IRIGZANOBFROSP-XQQFMLRXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCOCCC[N@@H+]1CCS[C@H](C)CC1 ZINC000348167605 136042431 /nfs/dbraw/zinc/04/24/31/136042431.db2.gz KSGPAJNMLMYZHL-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccnn1C ZINC000348212520 136045824 /nfs/dbraw/zinc/04/58/24/136045824.db2.gz GJKWFRCQVSTKMT-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccc(=O)[nH]n1 ZINC000348217310 136046608 /nfs/dbraw/zinc/04/66/08/136046608.db2.gz PLZSOASBSGECQT-JTQLQIEISA-N 1 0 248.330 2.163 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2OC(F)F)CC1 ZINC000348216639 136046620 /nfs/dbraw/zinc/04/66/20/136046620.db2.gz DHWXALCHOSAFAX-DTWKUNHWSA-N 1 0 230.258 2.040 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000348216641 136046638 /nfs/dbraw/zinc/04/66/38/136046638.db2.gz DHWXALCHOSAFAX-IUCAKERBSA-N 1 0 230.258 2.040 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000348193120 136050189 /nfs/dbraw/zinc/05/01/89/136050189.db2.gz KQRLPWIIVYCGSK-MJBXVCDLSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCOCCC[N@H+]1CCSC[C@H](C)C1 ZINC000348195390 136050961 /nfs/dbraw/zinc/05/09/61/136050961.db2.gz WIUHLMMPLCZTRU-GFCCVEGCSA-N 1 0 229.389 2.264 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348233551 136060677 /nfs/dbraw/zinc/06/06/77/136060677.db2.gz VBLQPVMKQCCCKT-BDAKNGLRSA-N 1 0 205.248 2.312 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348233052 136060704 /nfs/dbraw/zinc/06/07/04/136060704.db2.gz UOBDSZZDBKKMQS-ZJUUUORDSA-N 1 0 232.274 2.430 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1nccn1C ZINC000348234494 136060811 /nfs/dbraw/zinc/06/08/11/136060811.db2.gz XBXPXGDGYWXRLY-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]2C(F)F)c1 ZINC000348233067 136060969 /nfs/dbraw/zinc/06/09/69/136060969.db2.gz UQBCTRBXRSZBNO-RKDXNWHRSA-N 1 0 228.267 2.363 20 30 BEEDRO C[C@@H](N[C@@H](C)C[NH+](C)C)c1ccc(C#N)cc1F ZINC000348286948 136061690 /nfs/dbraw/zinc/06/16/90/136061690.db2.gz HBSIOYUBSCVNDW-WDEREUQCSA-N 1 0 249.333 2.298 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000335366433 136081785 /nfs/dbraw/zinc/08/17/85/136081785.db2.gz ATTCBUIOPQKYMT-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@@H](F)C2)n1 ZINC000335387078 136089390 /nfs/dbraw/zinc/08/93/90/136089390.db2.gz QOGWDRNUBHSCPI-RKDXNWHRSA-N 1 0 239.319 2.385 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000335387858 136089653 /nfs/dbraw/zinc/08/96/53/136089653.db2.gz OUTVELOSWBMVGN-NXEZZACHSA-N 1 0 246.339 2.178 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000335389570 136089920 /nfs/dbraw/zinc/08/99/20/136089920.db2.gz SEFGHLPLEUVTRR-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CO[C@H](C)C2)ccc1C#N ZINC000335392313 136091521 /nfs/dbraw/zinc/09/15/21/136091521.db2.gz KMLXHGLOHKPVTM-RISCZKNCSA-N 1 0 230.311 2.134 20 30 BEEDRO C[N@H+](CC1(C#N)CCC1)[C@@H]1CCSC1 ZINC000335578854 136111761 /nfs/dbraw/zinc/11/17/61/136111761.db2.gz MPQDGTBBHLHDFS-SNVBAGLBSA-N 1 0 210.346 2.118 20 30 BEEDRO C=CCCCCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC001646548508 1172744221 /nfs/dbraw/zinc/74/42/21/1172744221.db2.gz QOOOWEHWINZISE-RWMBFGLXSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000305763427 397799572 /nfs/dbraw/zinc/79/95/72/397799572.db2.gz FZZFATPZWIMOBR-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO CC(C)(CO)[C@H]([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000290378906 397845651 /nfs/dbraw/zinc/84/56/51/397845651.db2.gz AYTRNXOTLGHTOS-CYBMUJFWSA-N 1 0 248.326 2.038 20 30 BEEDRO Cc1cccc([C@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592151464 397944743 /nfs/dbraw/zinc/94/47/43/397944743.db2.gz PHLPLQCHJHGWPJ-ZFWWWQNUSA-N 1 0 244.338 2.407 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000650163643 397949245 /nfs/dbraw/zinc/94/92/45/397949245.db2.gz PKPAJGZNXXGOHY-STQMWFEESA-N 1 0 223.360 2.271 20 30 BEEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523095 397950519 /nfs/dbraw/zinc/95/05/19/397950519.db2.gz VRHIFLHCPJDFRY-KKUMJFAQSA-N 1 0 248.370 2.329 20 30 BEEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC#N ZINC000449231100 397952318 /nfs/dbraw/zinc/95/23/18/397952318.db2.gz CLVCVUJEIIVUSI-LLVKDONJSA-N 1 0 247.298 2.419 20 30 BEEDRO CCC#C[C@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000650179588 397958168 /nfs/dbraw/zinc/95/81/68/397958168.db2.gz IRYZOOSUEQLJNA-KGLIPLIRSA-N 1 0 222.376 2.204 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cc(C)nc(C#N)c1 ZINC000341549550 397959612 /nfs/dbraw/zinc/95/96/12/397959612.db2.gz PRBJITGLMGEDLH-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649527965 397919418 /nfs/dbraw/zinc/91/94/18/397919418.db2.gz XJXYIDQKQGXIPZ-UHFFFAOYSA-N 1 0 231.343 2.227 20 30 BEEDRO CC(C)CC[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623388 397993695 /nfs/dbraw/zinc/99/36/95/397993695.db2.gz OOQVKEGIGXRPMC-ZIAGYGMSSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC(F)(F)c1nc(C2([NH3+])CCCC2)no1 ZINC000414629569 397997539 /nfs/dbraw/zinc/99/75/39/397997539.db2.gz QTCJYQNLRUNQMN-UHFFFAOYSA-N 1 0 243.257 2.466 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccccc1C)C(C)C ZINC000491508421 398045284 /nfs/dbraw/zinc/04/52/84/398045284.db2.gz ZUYSKWFXCQMBED-HUUCEWRRSA-N 1 0 231.339 2.276 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000185036573 398050227 /nfs/dbraw/zinc/05/02/27/398050227.db2.gz QOWZSFGNRTWDJJ-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000650264141 398018765 /nfs/dbraw/zinc/01/87/65/398018765.db2.gz WGNOTYCOPOIYOR-STQMWFEESA-N 1 0 241.400 2.143 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)OC(C)C ZINC000489423554 398024221 /nfs/dbraw/zinc/02/42/21/398024221.db2.gz HXBKFFSKALOEBJ-GFCCVEGCSA-N 1 0 225.332 2.369 20 30 BEEDRO CCC#C[C@H](C)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000649664773 398030263 /nfs/dbraw/zinc/03/02/63/398030263.db2.gz FDEYYWLRZAJBSS-KGLIPLIRSA-N 1 0 234.387 2.204 20 30 BEEDRO CCNC(=[NH2+])NCc1cc(F)c(Cl)cc1F ZINC000278585593 398039801 /nfs/dbraw/zinc/03/98/01/398039801.db2.gz BXLYYPJYWONSTG-UHFFFAOYSA-N 1 0 247.676 2.042 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)C(C)(C)C ZINC000491407452 398040319 /nfs/dbraw/zinc/04/03/19/398040319.db2.gz RHFDBVRFLLWOTI-QCNOEVLYSA-N 1 0 209.333 2.190 20 30 BEEDRO CS[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000451324677 397973233 /nfs/dbraw/zinc/97/32/33/397973233.db2.gz LQGSVRNTRWQXMP-OUAUKWLOSA-N 1 0 210.346 2.116 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCC#N)CC1(C)C ZINC000451549319 397974984 /nfs/dbraw/zinc/97/49/84/397974984.db2.gz GQNBYDFMENDFER-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000650210136 397987151 /nfs/dbraw/zinc/98/71/51/397987151.db2.gz CJLKVOQVDPAYGA-RYUDHWBXSA-N 1 0 219.332 2.356 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCO1 ZINC000185861823 398060973 /nfs/dbraw/zinc/06/09/73/398060973.db2.gz QHIOLEBROUXPFE-RWMBFGLXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000135057359 398063819 /nfs/dbraw/zinc/06/38/19/398063819.db2.gz JDBWVZQGKNZLAD-WFASDCNBSA-N 1 0 244.338 2.324 20 30 BEEDRO N#CCCN(CCC[NH+]1CCCCC1)CC1CC1 ZINC000161391446 398065109 /nfs/dbraw/zinc/06/51/09/398065109.db2.gz XODUUJXBJQCICA-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC000649729462 398066807 /nfs/dbraw/zinc/06/68/07/398066807.db2.gz OIHAAXGIEDXCRX-GFCCVEGCSA-N 1 0 235.302 2.435 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC000491779768 398068185 /nfs/dbraw/zinc/06/81/85/398068185.db2.gz JCYKVSWDGPRWAJ-STQMWFEESA-N 1 0 203.260 2.247 20 30 BEEDRO C#C[C@H]([NH2+]Cc1nc(C)ccc1O)C(C)(C)C ZINC000491793778 398071148 /nfs/dbraw/zinc/07/11/48/398071148.db2.gz NFWZUMAXVXXXPB-ZDUSSCGKSA-N 1 0 232.327 2.233 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000186700624 398071666 /nfs/dbraw/zinc/07/16/66/398071666.db2.gz IEVKBVYCXFGRES-OCCSQVGLSA-N 1 0 248.370 2.340 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000602479926 398074451 /nfs/dbraw/zinc/07/44/51/398074451.db2.gz SIYOBGMDTSCMOY-HZSPNIEDSA-N 1 0 236.359 2.285 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C#N)c(C)n1 ZINC000292003791 398075199 /nfs/dbraw/zinc/07/51/99/398075199.db2.gz ROCBDRDHXQNZDV-LLVKDONJSA-N 1 0 246.358 2.404 20 30 BEEDRO COCC#CC[N@H+](C)CCc1ccccc1C ZINC000649734693 398075874 /nfs/dbraw/zinc/07/58/74/398075874.db2.gz VCYXQGNPXNQXNP-UHFFFAOYSA-N 1 0 231.339 2.119 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191624615 398077947 /nfs/dbraw/zinc/07/79/47/398077947.db2.gz VKPWYCMIOHCJQX-AWEZNQCLSA-N 1 0 249.358 2.047 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191624629 398078095 /nfs/dbraw/zinc/07/80/95/398078095.db2.gz VKPWYCMIOHCJQX-CQSZACIVSA-N 1 0 249.358 2.047 20 30 BEEDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(C#N)cc1F ZINC000305818999 398079408 /nfs/dbraw/zinc/07/94/08/398079408.db2.gz NTFBQDLMRDCEJN-JTQLQIEISA-N 1 0 248.301 2.263 20 30 BEEDRO C[C@@]12COC[C@]1(C)C[N@@H+](CC1(CC#N)CC1)C2 ZINC000602883480 398081844 /nfs/dbraw/zinc/08/18/44/398081844.db2.gz INOKVUADWDYBLW-BETUJISGSA-N 1 0 234.343 2.039 20 30 BEEDRO C[C@H]1COC2(CCC2)C[N@@H+]1CC1(CC#N)CC1 ZINC000602883192 398081870 /nfs/dbraw/zinc/08/18/70/398081870.db2.gz OGLRDVCYPTUDAT-LBPRGKRZSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649775524 398095744 /nfs/dbraw/zinc/09/57/44/398095744.db2.gz KQGSNLBTDLWBDO-NSHDSACASA-N 1 0 245.313 2.435 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CCCc1ccc(C)nc1 ZINC000310034680 398052557 /nfs/dbraw/zinc/05/25/57/398052557.db2.gz SNLQJPALUOAIRN-AWEZNQCLSA-N 1 0 216.328 2.324 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCc1ccccc1)C(C)C ZINC000491642666 398053565 /nfs/dbraw/zinc/05/35/65/398053565.db2.gz XYYRGYAPVDOXAL-CQSZACIVSA-N 1 0 243.354 2.001 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C(=O)N(C)C ZINC000188993154 398056268 /nfs/dbraw/zinc/05/62/68/398056268.db2.gz WEHNMSOLRGYFEY-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000649716164 398057823 /nfs/dbraw/zinc/05/78/23/398057823.db2.gz VUVWSCQHBWYOOO-OLZOCXBDSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000449161761 398124026 /nfs/dbraw/zinc/12/40/26/398124026.db2.gz PLIGJTFVEKCFHZ-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)o1)C[C@H]1CCOC1 ZINC000611256674 398125941 /nfs/dbraw/zinc/12/59/41/398125941.db2.gz MVCIMEQLPLXLMV-LLVKDONJSA-N 1 0 234.299 2.010 20 30 BEEDRO C=CCN1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000649830106 398130855 /nfs/dbraw/zinc/13/08/55/398130855.db2.gz WKAPMGAXUZAVBS-HNNXBMFYSA-N 1 0 230.355 2.031 20 30 BEEDRO C=CCN1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000649830107 398130919 /nfs/dbraw/zinc/13/09/19/398130919.db2.gz WKAPMGAXUZAVBS-OAHLLOKOSA-N 1 0 230.355 2.031 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@H](C)[C@@H](C)CC)CC1 ZINC001648149215 1172801136 /nfs/dbraw/zinc/80/11/36/1172801136.db2.gz YYPQAYABAPBPEK-QWHCGFSZSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000161947336 487528988 /nfs/dbraw/zinc/52/89/88/487528988.db2.gz QMXURDPXHZIXFG-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1CCn1cccn1 ZINC001648526203 1172844687 /nfs/dbraw/zinc/84/46/87/1172844687.db2.gz PKAKNHFWENRQKI-CYBMUJFWSA-N 1 0 219.332 2.314 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000685611856 487563923 /nfs/dbraw/zinc/56/39/23/487563923.db2.gz LXLAVDGYTFKTNQ-KBPBESRZSA-N 1 0 231.343 2.240 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)CO ZINC000120678824 490067425 /nfs/dbraw/zinc/06/74/25/490067425.db2.gz RJKRCTGXXZAQQT-CYBMUJFWSA-N 1 0 249.354 2.312 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)CC1(C)COC1 ZINC001172503749 974856858 /nfs/dbraw/zinc/85/68/58/974856858.db2.gz CBIBNIDHPWDAAM-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CCC(N2CCC2)CC1 ZINC001172503712 974857178 /nfs/dbraw/zinc/85/71/78/974857178.db2.gz GQSUOCDQLFREBE-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(OC)no2)C1 ZINC000661384142 487570457 /nfs/dbraw/zinc/57/04/57/487570457.db2.gz HCDXXKACKRVOPH-NSHDSACASA-N 1 0 236.315 2.471 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000685657060 487570839 /nfs/dbraw/zinc/57/08/39/487570839.db2.gz RPTOXLMFXSGFAI-GFCCVEGCSA-N 1 0 246.354 2.159 20 30 BEEDRO C[NH+](C)C[C@@H]1CCCN1c1cc(F)ccc1C#N ZINC001650861977 1172905062 /nfs/dbraw/zinc/90/50/62/1172905062.db2.gz FNHLMDAIBAVJMM-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccns2)cc1 ZINC001651099762 1172923724 /nfs/dbraw/zinc/92/37/24/1172923724.db2.gz QRJITGJYOPCDDH-UHFFFAOYSA-N 1 0 228.320 2.414 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000680384539 487581765 /nfs/dbraw/zinc/58/17/65/487581765.db2.gz ICCKYZZZXZOXOQ-KGLIPLIRSA-N 1 0 231.339 2.418 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CN(CC)c2ccccc2O1 ZINC000057623936 487582059 /nfs/dbraw/zinc/58/20/59/487582059.db2.gz RFOIDGHYYBCJFO-CYBMUJFWSA-N 1 0 246.354 2.392 20 30 BEEDRO Cc1cc(NC[C@@H]2CCCC[N@H+]2C)ncc1C#N ZINC001651490668 1172954694 /nfs/dbraw/zinc/95/46/94/1172954694.db2.gz QFMIMGTUTBFWSM-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1csc(CC)n1 ZINC000273392262 166148909 /nfs/dbraw/zinc/14/89/09/166148909.db2.gz PBJJORUQLSGKCZ-SECBINFHSA-N 1 0 208.330 2.379 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069768522 166149211 /nfs/dbraw/zinc/14/92/11/166149211.db2.gz WCHCGUISCFFALC-SNVBAGLBSA-N 1 0 218.256 2.269 20 30 BEEDRO C#CCC[NH2+][C@H](COC)c1ccc(CC)o1 ZINC000273227938 166149553 /nfs/dbraw/zinc/14/95/53/166149553.db2.gz CGHLGUWHDQZMJZ-GFCCVEGCSA-N 1 0 221.300 2.142 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001172506500 974858510 /nfs/dbraw/zinc/85/85/10/974858510.db2.gz VACRQBSOUIYPTH-UPJWGTAASA-N 1 0 234.343 2.370 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(COC)o1 ZINC000166734664 166126942 /nfs/dbraw/zinc/12/69/42/166126942.db2.gz NIUYASUZUYXIJA-UHFFFAOYSA-N 1 0 221.300 2.319 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000150729525 166127155 /nfs/dbraw/zinc/12/71/55/166127155.db2.gz MHOLIQCESAGCQN-UHFFFAOYSA-N 1 0 212.296 2.451 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(N(C)C)nc1)C1CC1 ZINC000680481712 487603803 /nfs/dbraw/zinc/60/38/03/487603803.db2.gz SUTCLOGKYIHGAZ-UHFFFAOYSA-N 1 0 231.343 2.298 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccccc1O ZINC000271052813 166128697 /nfs/dbraw/zinc/12/86/97/166128697.db2.gz QIUFWJMJSPJYDY-UHFFFAOYSA-N 1 0 203.285 2.237 20 30 BEEDRO C#CCCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000271046316 166128937 /nfs/dbraw/zinc/12/89/37/166128937.db2.gz OHZFJOIGHWDQMM-UHFFFAOYSA-N 1 0 213.324 2.499 20 30 BEEDRO C#CCCCN1C[C@@H](C)[N@@H+](CCCC#C)C[C@@H]1C ZINC000271040096 166130141 /nfs/dbraw/zinc/13/01/41/166130141.db2.gz MWLQKPAKGKHVSG-IYBDPMFKSA-N 1 0 246.398 2.208 20 30 BEEDRO C#CCCCN1CCOC[C@@H]1c1ccc(C)o1 ZINC000271056075 166130431 /nfs/dbraw/zinc/13/04/31/166130431.db2.gz RFTWBVRHEYBTBY-CYBMUJFWSA-N 1 0 233.311 2.375 20 30 BEEDRO CCN1CC[N@H+]([C@@H](C)CCCC#N)C(C)(C)C1 ZINC001172506545 974858623 /nfs/dbraw/zinc/85/86/23/974858623.db2.gz VXLKWVXZZUXLQC-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO C#CCCC[NH2+][C@@H](CCO)c1ccc(OC)cc1 ZINC000271715620 166133177 /nfs/dbraw/zinc/13/31/77/166133177.db2.gz VSHABWIVLSYIBW-HNNXBMFYSA-N 1 0 247.338 2.122 20 30 BEEDRO C#CCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000273034622 166135498 /nfs/dbraw/zinc/13/54/98/166135498.db2.gz GXIXCUJDNIHVES-JTQLQIEISA-N 1 0 208.330 2.202 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000270517105 166135502 /nfs/dbraw/zinc/13/55/02/166135502.db2.gz LEUZIVQWSSZWMZ-MRXNPFEDSA-N 1 0 242.366 2.216 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000268704284 166135278 /nfs/dbraw/zinc/13/52/78/166135278.db2.gz KZGCVQKADKEFKO-CQSZACIVSA-N 1 0 217.312 2.065 20 30 BEEDRO C#CCCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CCC#C ZINC000274362062 166135787 /nfs/dbraw/zinc/13/57/87/166135787.db2.gz ZYUAUCJBYRKWAG-HOTGVXAUSA-N 1 0 246.398 2.208 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](OC)C1CCC1 ZINC000660740377 409691958 /nfs/dbraw/zinc/69/19/58/409691958.db2.gz QAEBWVHNIJCHAN-HZSPNIEDSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(CC)C[N@H+]1CCCN(CC)C[C@@H]1C ZINC000660787039 409747504 /nfs/dbraw/zinc/74/75/04/409747504.db2.gz HQTVMFYCSYPHFA-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@H](CC)CCC)CCC[NH2+]1 ZINC000662546666 409751833 /nfs/dbraw/zinc/75/18/33/409751833.db2.gz ZEUBMMFRHKMDQP-OCCSQVGLSA-N 1 0 238.375 2.380 20 30 BEEDRO C#CCC[N@H+](Cc1ccccn1)C1CC1 ZINC000299245597 409821675 /nfs/dbraw/zinc/82/16/75/409821675.db2.gz WTTULXVVEGBTCK-UHFFFAOYSA-N 1 0 200.285 2.069 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000653134985 409854810 /nfs/dbraw/zinc/85/48/10/409854810.db2.gz OQLIOQORVOGZRX-YNEHKIRRSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000662630484 409800147 /nfs/dbraw/zinc/80/01/47/409800147.db2.gz KBROTRYMKOVPPQ-LLVKDONJSA-N 1 0 248.326 2.167 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccc(O)cc2)CCC[NH2+]1 ZINC000662765042 409888615 /nfs/dbraw/zinc/88/86/15/409888615.db2.gz CTEQDBHXKMCKFU-AWEZNQCLSA-N 1 0 246.310 2.029 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)CC1([NH3+])CC1 ZINC000662843972 409949897 /nfs/dbraw/zinc/94/98/97/409949897.db2.gz VKLSFHIFSNKZCO-RYUDHWBXSA-N 1 0 236.359 2.119 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000308893225 410066022 /nfs/dbraw/zinc/06/60/22/410066022.db2.gz YKNAULZOJXEKPU-QWHCGFSZSA-N 1 0 210.365 2.273 20 30 BEEDRO Cc1nc(C)c(CN(C)C[C@H](C)C#N)s1 ZINC000266028206 487614959 /nfs/dbraw/zinc/61/49/59/487614959.db2.gz ZDKYTGPVOLGSOT-MRVPVSSYSA-N 1 0 223.345 2.351 20 30 BEEDRO C=CC[N@H+](Cc1ccc(CO)cc1)[C@@H](C)COC ZINC000661239509 410399041 /nfs/dbraw/zinc/39/90/41/410399041.db2.gz HGZUOJGTWOOMPW-ZDUSSCGKSA-N 1 0 249.354 2.202 20 30 BEEDRO C=CC[N@H+](C[C@H](OC)C1CCC1)[C@H](C)COC ZINC000661240988 410400768 /nfs/dbraw/zinc/40/07/68/410400768.db2.gz UUPLEYSIVYPGHP-OCCSQVGLSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@H+](Cc1ccc(C)cn1)[C@@H](C)COC ZINC000661242628 410405275 /nfs/dbraw/zinc/40/52/75/410405275.db2.gz RIBAAONRYZCSLD-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@@H+](CCC(F)(F)F)[C@H](C)COC ZINC000661241494 410405472 /nfs/dbraw/zinc/40/54/72/410405472.db2.gz ZEUYKCOBBCQWJN-SECBINFHSA-N 1 0 225.254 2.462 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CC[C@H](C)OC)cc1 ZINC000264974125 166198788 /nfs/dbraw/zinc/19/87/88/166198788.db2.gz RPESYCDIGJWPRV-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCCOCC ZINC000020092227 166200480 /nfs/dbraw/zinc/20/04/80/166200480.db2.gz OLKJTKBFLJXDIS-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO C#CC[C@@H]([NH2+]Cc1cncn1C)c1ccccc1 ZINC000270216412 166204782 /nfs/dbraw/zinc/20/47/82/166204782.db2.gz OUBJLZNSVFBGHJ-OAHLLOKOSA-N 1 0 239.322 2.274 20 30 BEEDRO C#CC[C@@H]([NH2+][C@H](C)COC)c1ccccc1 ZINC000271471641 166205314 /nfs/dbraw/zinc/20/53/14/166205314.db2.gz IKTSVUGKIXQSCL-TZMCWYRMSA-N 1 0 217.312 2.376 20 30 BEEDRO C#CC[C@@H]([NH2+]CCCC(=O)OC)c1ccccc1 ZINC000271681590 166205989 /nfs/dbraw/zinc/20/59/89/166205989.db2.gz IKSGPGXJSCDYGH-CQSZACIVSA-N 1 0 245.322 2.294 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)C[C@@H](C)CC)n1 ZINC000279672131 166207589 /nfs/dbraw/zinc/20/75/89/166207589.db2.gz FJSFPXAKRKEONC-ZDUSSCGKSA-N 1 0 233.359 2.384 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CCC(=C)C)n1 ZINC000279674401 166207791 /nfs/dbraw/zinc/20/77/91/166207791.db2.gz FTJDDBCCSJHEOJ-UHFFFAOYSA-N 1 0 231.343 2.304 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc(N(CC)CC)s1 ZINC000166365166 166217765 /nfs/dbraw/zinc/21/77/65/166217765.db2.gz SAIPFQQOKSJKIV-JTQLQIEISA-N 1 0 237.372 2.101 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccnc1)C(C)(C)C ZINC000289375842 166219146 /nfs/dbraw/zinc/21/91/46/166219146.db2.gz BJRYYWUURCSMLT-LBPRGKRZSA-N 1 0 202.301 2.219 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000336888720 166232793 /nfs/dbraw/zinc/23/27/93/166232793.db2.gz FNTUBSXOEJQJDM-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000279225489 166241787 /nfs/dbraw/zinc/24/17/87/166241787.db2.gz XWBVVXDZGVMELB-UHFFFAOYSA-N 1 0 227.739 2.438 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(N(C)C)s1 ZINC000279123839 166241792 /nfs/dbraw/zinc/24/17/92/166241792.db2.gz LYPYCLNGDKCBEY-UHFFFAOYSA-N 1 0 225.361 2.265 20 30 BEEDRO C=CCCN(C)[C@@H](C)c1nc(CC)no1 ZINC000276506890 166259560 /nfs/dbraw/zinc/25/95/60/166259560.db2.gz WWQDBSYWHDOMOY-VIFPVBQESA-N 1 0 209.293 2.201 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000276456323 166259150 /nfs/dbraw/zinc/25/91/50/166259150.db2.gz QDDNIOBLIHOABG-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000276189347 166259526 /nfs/dbraw/zinc/25/95/26/166259526.db2.gz WTTPGPQPTFAFPH-UHFFFAOYSA-N 1 0 235.283 2.129 20 30 BEEDRO C=CCC[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000338564248 166261144 /nfs/dbraw/zinc/26/11/44/166261144.db2.gz PKGWAAIUEUSJKQ-UHFFFAOYSA-N 1 0 235.331 2.308 20 30 BEEDRO C=CCC[N@@H+](CCO)Cc1ccccc1OC ZINC000265796459 166261855 /nfs/dbraw/zinc/26/18/55/166261855.db2.gz NIURRZXTCVJMIV-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C=CCC[NH2+][C@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000275327440 166266951 /nfs/dbraw/zinc/26/69/51/166266951.db2.gz PZDYFMBXYWDASY-JSGCOSHPSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](C)CCC ZINC000340418529 166292230 /nfs/dbraw/zinc/29/22/30/166292230.db2.gz HHTCWJLVPIUCQP-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000349520208 166293052 /nfs/dbraw/zinc/29/30/52/166293052.db2.gz RYNGFAVSGMFQEM-LLVKDONJSA-N 1 0 234.347 2.100 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275475073 166294077 /nfs/dbraw/zinc/29/40/77/166294077.db2.gz HXYVFEXCIHJCIS-CHWSQXEVSA-N 1 0 233.359 2.390 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC(=O)NC)c1ccccc1 ZINC000269431684 166295818 /nfs/dbraw/zinc/29/58/18/166295818.db2.gz PZCMPMMIHBIRKO-CQSZACIVSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccncc1 ZINC000271039426 166297089 /nfs/dbraw/zinc/29/70/89/166297089.db2.gz SNOWORZOIIJUGD-CQSZACIVSA-N 1 0 234.343 2.231 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000178067968 166298168 /nfs/dbraw/zinc/29/81/68/166298168.db2.gz PPAMKBMAPPDRIP-LLVKDONJSA-N 1 0 240.372 2.210 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)CCC ZINC000340418533 166299846 /nfs/dbraw/zinc/29/98/46/166299846.db2.gz HHTCWJLVPIUCQP-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000305049673 166303647 /nfs/dbraw/zinc/30/36/47/166303647.db2.gz BZKWOLMRRAMCMF-AVGNSLFASA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000268621531 166303774 /nfs/dbraw/zinc/30/37/74/166303774.db2.gz IPYXFSSUJSJZRK-LBPRGKRZSA-N 1 0 223.316 2.347 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC000268426836 166304227 /nfs/dbraw/zinc/30/42/27/166304227.db2.gz ARHSGNVVXVVCMM-AWEZNQCLSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000305049679 166304454 /nfs/dbraw/zinc/30/44/54/166304454.db2.gz BZKWOLMRRAMCMF-XQQFMLRXSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[N@H+](C)CCOc1cccc(C#N)c1 ZINC000111272111 166320687 /nfs/dbraw/zinc/32/06/87/166320687.db2.gz GHTCBYWWVHJKMU-UHFFFAOYSA-N 1 0 216.284 2.055 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000263779633 166321420 /nfs/dbraw/zinc/32/14/20/166321420.db2.gz YGSRXKKVFZZLSJ-CQSZACIVSA-N 1 0 217.312 2.418 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000154779248 166322609 /nfs/dbraw/zinc/32/26/09/166322609.db2.gz XQZCBZYOFVTTGM-UHFFFAOYSA-N 1 0 231.343 2.300 20 30 BEEDRO C=CC[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000154776603 166325098 /nfs/dbraw/zinc/32/50/98/166325098.db2.gz RALRTZVLJDVFSY-UHFFFAOYSA-N 1 0 242.326 2.100 20 30 BEEDRO C=CC[NH+](CC=C)CCc1ccncc1 ZINC000098071961 166334420 /nfs/dbraw/zinc/33/44/20/166334420.db2.gz CDJRVKLZQWERHJ-UHFFFAOYSA-N 1 0 202.301 2.298 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268634555 166334860 /nfs/dbraw/zinc/33/48/60/166334860.db2.gz QVWMRXXWMKNOFT-OAHLLOKOSA-N 1 0 242.322 2.266 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1ccn(C)n1 ZINC000272334993 166342968 /nfs/dbraw/zinc/34/29/68/166342968.db2.gz XGFKWBOSILFHNP-UHFFFAOYSA-N 1 0 245.326 2.244 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CCC ZINC000154259315 166346867 /nfs/dbraw/zinc/34/68/67/166346867.db2.gz MEOFJJZVSUSRAI-CQSZACIVSA-N 1 0 246.354 2.329 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000270004154 166346896 /nfs/dbraw/zinc/34/68/96/166346896.db2.gz WDJYXIFMSUPFLL-OAHLLOKOSA-N 1 0 231.339 2.446 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)CCOCC)C1 ZINC000661384263 410600809 /nfs/dbraw/zinc/60/08/09/410600809.db2.gz HWMOIYOWVDKLJA-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000661385946 410602168 /nfs/dbraw/zinc/60/21/68/410602168.db2.gz QVNLVCCYIAWDLC-RYUDHWBXSA-N 1 0 234.347 2.164 20 30 BEEDRO C=CCCCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000307943337 410669552 /nfs/dbraw/zinc/66/95/52/410669552.db2.gz FINUAEARSULSJF-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661500022 410713456 /nfs/dbraw/zinc/71/34/56/410713456.db2.gz SAVIIIIZMWJUKO-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO CC[NH+](CC)CCCCNc1ccc(C#N)cn1 ZINC000065944891 169771637 /nfs/dbraw/zinc/77/16/37/169771637.db2.gz HLEJKVYGVMWCOA-UHFFFAOYSA-N 1 0 246.358 2.487 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CC(C(F)F)C1 ZINC001172506416 974860624 /nfs/dbraw/zinc/86/06/24/974860624.db2.gz TYHRERBMUDRQJK-QMMMGPOBSA-N 1 0 202.248 2.266 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000655488971 410794320 /nfs/dbraw/zinc/79/43/20/410794320.db2.gz KHSSBRIHCKSSIM-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO CC[NH+](CC)CCCNc1ccnc(C#N)c1 ZINC000061811612 169776036 /nfs/dbraw/zinc/77/60/36/169776036.db2.gz BYJDPBGQZJXABN-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CC(C)[NH2+]CCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000051638430 167100748 /nfs/dbraw/zinc/10/07/48/167100748.db2.gz CYCOMBJNBIAGTO-UHFFFAOYSA-N 1 0 249.289 2.024 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)c1ccncc1 ZINC000651321999 410918024 /nfs/dbraw/zinc/91/80/24/410918024.db2.gz HOJSRHJDTZHCMB-ZDUSSCGKSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)CCF ZINC000652016970 410983181 /nfs/dbraw/zinc/98/31/81/410983181.db2.gz LBEZZFOEGAQZKU-RYUDHWBXSA-N 1 0 217.328 2.431 20 30 BEEDRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592522759 411133714 /nfs/dbraw/zinc/13/37/14/411133714.db2.gz QYRORLXFXQKJAU-RDBSUJKOSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592522758 411133847 /nfs/dbraw/zinc/13/38/47/411133847.db2.gz QYRORLXFXQKJAU-MGPQQGTHSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000651668202 411134254 /nfs/dbraw/zinc/13/42/54/411134254.db2.gz BRFUPEDIVQWDAG-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000651688509 411136468 /nfs/dbraw/zinc/13/64/68/411136468.db2.gz MPPHIXXEYIQVIK-YNEHKIRRSA-N 1 0 234.347 2.001 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000651689453 411136526 /nfs/dbraw/zinc/13/65/26/411136526.db2.gz VNLVODCDVJRNSP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(CO)CC2)C1 ZINC000651729227 411139243 /nfs/dbraw/zinc/13/92/43/411139243.db2.gz ZRKICCQZKKRBSA-VXGBXAGGSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)CC)C1 ZINC000651737531 411140199 /nfs/dbraw/zinc/14/01/99/411140199.db2.gz IBJWRKJBHJWFCH-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC2CC2)C1 ZINC000651742099 411140482 /nfs/dbraw/zinc/14/04/82/411140482.db2.gz CZTIOIRJPXSHJG-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CC2CC2)C1 ZINC000651742101 411140589 /nfs/dbraw/zinc/14/05/89/411140589.db2.gz CZTIOIRJPXSHJG-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C)N(C)C)C1 ZINC000651752092 411141805 /nfs/dbraw/zinc/14/18/05/411141805.db2.gz UMKSHBCKCIXKEM-UPJWGTAASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc(C(N)=O)co2)C1 ZINC000651767707 411142701 /nfs/dbraw/zinc/14/27/01/411142701.db2.gz IWCQBENWXGHXHJ-JQWIXIFHSA-N 1 0 248.326 2.213 20 30 BEEDRO C[NH+](C)CC(C)(C)NCc1ccc(C#N)cc1F ZINC000308637665 411143351 /nfs/dbraw/zinc/14/33/51/411143351.db2.gz SDCFUKMYAFUOIU-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)C1 ZINC000651783640 411143654 /nfs/dbraw/zinc/14/36/54/411143654.db2.gz KNNRBSXALCGONM-RFGFWPKPSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC[C@H](C)O)C1 ZINC000651789692 411143984 /nfs/dbraw/zinc/14/39/84/411143984.db2.gz VPTSJZHTRWBHMP-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651789721 411144093 /nfs/dbraw/zinc/14/40/93/411144093.db2.gz WOJBHPFAGQYPAC-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](COC)CC(C)(C)C ZINC000651824371 411145537 /nfs/dbraw/zinc/14/55/37/411145537.db2.gz OLGQNJHEANHEAS-STQMWFEESA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000651823372 411145681 /nfs/dbraw/zinc/14/56/81/411145681.db2.gz FTMKCSZBFHBINT-STQMWFEESA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000651828682 411146563 /nfs/dbraw/zinc/14/65/63/411146563.db2.gz YNZWPUWVSOLUPV-DGAVXFQQSA-N 1 0 223.360 2.482 20 30 BEEDRO CC[NH+](CC)C[C@H](C)NCc1ccc(C#N)cc1 ZINC000045690200 411147890 /nfs/dbraw/zinc/14/78/90/411147890.db2.gz RWJDXBMJXKCKAH-ZDUSSCGKSA-N 1 0 245.370 2.378 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](CCO)COC ZINC000657885930 411153122 /nfs/dbraw/zinc/15/31/22/411153122.db2.gz AQLDKXGNQJNZSK-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000651944670 411158295 /nfs/dbraw/zinc/15/82/95/411158295.db2.gz CFYZEIJDYIHQSS-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1ncccc1C#N ZINC000280397319 169800940 /nfs/dbraw/zinc/80/09/40/169800940.db2.gz IBQNBDTYQDQMOR-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCSCC1 ZINC000657939459 411174739 /nfs/dbraw/zinc/17/47/39/411174739.db2.gz YRNBZTVJKLULRP-NWDGAFQWSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](COC)OC ZINC000657968778 411182276 /nfs/dbraw/zinc/18/22/76/411182276.db2.gz FEVKACNIWNZVND-MGPQQGTHSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCC1(C[NH2+][C@@H](C)CC(N)=O)CCCC1 ZINC000658096422 411244423 /nfs/dbraw/zinc/24/44/23/411244423.db2.gz NGBOJAOKNLVXMM-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO Cc1cc(CN(CCC#N)CCC(C)C)n(C)n1 ZINC000417763436 411194150 /nfs/dbraw/zinc/19/41/50/411194150.db2.gz KLSROHYVIBBYHJ-UHFFFAOYSA-N 1 0 248.374 2.490 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC000517658592 411194547 /nfs/dbraw/zinc/19/45/47/411194547.db2.gz RSINRUATPMDTJH-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC ZINC000658021174 411199591 /nfs/dbraw/zinc/19/95/91/411199591.db2.gz OQPXTUMHQLNBHA-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000653872112 411202755 /nfs/dbraw/zinc/20/27/55/411202755.db2.gz PDNLTOCNJYAILT-NSHDSACASA-N 1 0 245.313 2.440 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC=C(C)CC1 ZINC000556833783 322928236 /nfs/dbraw/zinc/92/82/36/322928236.db2.gz BCECXDMJYAKVEK-STQMWFEESA-N 1 0 209.333 2.259 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556833780 322928250 /nfs/dbraw/zinc/92/82/50/322928250.db2.gz BCECXDMJYAKVEK-CHWSQXEVSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000658103565 411246594 /nfs/dbraw/zinc/24/65/94/411246594.db2.gz WQIFUGGLHDQQFZ-AXFHLTTASA-N 1 0 220.320 2.228 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000658113011 411247182 /nfs/dbraw/zinc/24/71/82/411247182.db2.gz CIHBAWYPSYHHLZ-PPANGVADSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000658113384 411247414 /nfs/dbraw/zinc/24/74/14/411247414.db2.gz GIOQQSUEKYOSFU-GFCCVEGCSA-N 1 0 233.311 2.164 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000658113167 411247523 /nfs/dbraw/zinc/24/75/23/411247523.db2.gz DJULMDHIVDTDNL-GFCCVEGCSA-N 1 0 242.326 2.494 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000658087852 411238446 /nfs/dbraw/zinc/23/84/46/411238446.db2.gz WECPZUJGVSNCCQ-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000658089100 411241252 /nfs/dbraw/zinc/24/12/52/411241252.db2.gz WZXMOJVJFKWWLQ-GVXVVHGQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](COC)CC1CCOCC1 ZINC000657917852 411165750 /nfs/dbraw/zinc/16/57/50/411165750.db2.gz FJTLGMIZOVQWEA-OCCSQVGLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000653777340 411167015 /nfs/dbraw/zinc/16/70/15/411167015.db2.gz LYCPSAFXTLSOFR-UHFFFAOYSA-N 1 0 222.336 2.085 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000658159499 411272397 /nfs/dbraw/zinc/27/23/97/411272397.db2.gz KFOJSWYMPMTCPM-QJPTWQEYSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C1(CO)CC1 ZINC000658159321 411272645 /nfs/dbraw/zinc/27/26/45/411272645.db2.gz IQKDIXVXPAGBGM-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(CC)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000656452893 411275302 /nfs/dbraw/zinc/27/53/02/411275302.db2.gz BYVHVSADFYVBCV-LLVKDONJSA-N 1 0 222.336 2.290 20 30 BEEDRO C=C(CC)Cn1cc([C@@H]([NH3+])CCC)nn1 ZINC000656453470 411276120 /nfs/dbraw/zinc/27/61/20/411276120.db2.gz MLXXPZCAZWCYES-JTQLQIEISA-N 1 0 208.309 2.044 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312281590 411285238 /nfs/dbraw/zinc/28/52/38/411285238.db2.gz XLHZISNQGILFCH-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1nccn1CC ZINC000658204707 411292251 /nfs/dbraw/zinc/29/22/51/411292251.db2.gz ANHPAONJTPYNKV-GFCCVEGCSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000658204804 411292365 /nfs/dbraw/zinc/29/23/65/411292365.db2.gz BRAPGXQAXIFRRO-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+]C1CCC(OC)CC1 ZINC000658209157 411294285 /nfs/dbraw/zinc/29/42/85/411294285.db2.gz DIZDEFYACMCKKN-UHFFFAOYSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000658208237 411294443 /nfs/dbraw/zinc/29/44/43/411294443.db2.gz YXLNBKPMRMVYHB-LBPRGKRZSA-N 1 0 249.358 2.073 20 30 BEEDRO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602479546 411296277 /nfs/dbraw/zinc/29/62/77/411296277.db2.gz NKTWUSQCTBEAAI-RYUDHWBXSA-N 1 0 240.347 2.198 20 30 BEEDRO C=CCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000658116690 411248877 /nfs/dbraw/zinc/24/88/77/411248877.db2.gz NNCVNFHGMMCVSV-LLVKDONJSA-N 1 0 205.305 2.037 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCNC(=O)CC1 ZINC000662089433 411360251 /nfs/dbraw/zinc/36/02/51/411360251.db2.gz YRQTUAIEWBFXJM-MELADBBJSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C(C)C ZINC000659331830 411361306 /nfs/dbraw/zinc/36/13/06/411361306.db2.gz QZJPBTUBKQUBME-QWHCGFSZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC1(CNC(=O)C(C)(C)[NH3+])CCCC1 ZINC000658929533 411362808 /nfs/dbraw/zinc/36/28/08/411362808.db2.gz GIMUBHSAFXBCJK-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000660643664 411369210 /nfs/dbraw/zinc/36/92/10/411369210.db2.gz CIVXXFWZAWVALP-UHFFFAOYSA-N 1 0 213.284 2.018 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](OC(C)C)c1ccccc1 ZINC000662168697 411371469 /nfs/dbraw/zinc/37/14/69/411371469.db2.gz RBJMONNVZKBEBP-HUUCEWRRSA-N 1 0 249.354 2.289 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000070592433 411336315 /nfs/dbraw/zinc/33/63/15/411336315.db2.gz NQQFBNZEZPAMAW-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO C=CCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000656704039 411339216 /nfs/dbraw/zinc/33/92/16/411339216.db2.gz ZRWWBFNCCRYKTB-UHFFFAOYSA-N 1 0 236.290 2.320 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC(C)(C)C[C@H]2C)nn1 ZINC000653762148 411342124 /nfs/dbraw/zinc/34/21/24/411342124.db2.gz XKRFPINKSQELBW-GFCCVEGCSA-N 1 0 248.374 2.475 20 30 BEEDRO CC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000335602566 168044797 /nfs/dbraw/zinc/04/47/97/168044797.db2.gz JBWQXAJCPGIGEJ-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO CC1=CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000281830491 168100968 /nfs/dbraw/zinc/10/09/68/168100968.db2.gz PUUFXGQXNUEIQT-UHFFFAOYSA-N 1 0 202.257 2.303 20 30 BEEDRO CC1CC([NH2+]CCc2cccc(C#N)c2)C1 ZINC000336776200 168145032 /nfs/dbraw/zinc/14/50/32/168145032.db2.gz FBHZFXWXIBSEIC-UHFFFAOYSA-N 1 0 214.312 2.489 20 30 BEEDRO C=CCCCN(C)C(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659270266 411385092 /nfs/dbraw/zinc/38/50/92/411385092.db2.gz JWZKMQFSZJXEDN-UHFFFAOYSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2CCCC2)nn1 ZINC000657300619 411457534 /nfs/dbraw/zinc/45/75/34/411457534.db2.gz RHFIUUGTRFPCKT-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C#CC[N@H+](CC)CCCC1CCOCC1 ZINC000491662131 411395187 /nfs/dbraw/zinc/39/51/87/411395187.db2.gz GVFDHECQZKCEFG-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO CC#CCC[NH2+]Cc1ccccc1N(C)C ZINC000336675224 411395529 /nfs/dbraw/zinc/39/55/29/411395529.db2.gz PJABJVLGNGWXDD-UHFFFAOYSA-N 1 0 216.328 2.256 20 30 BEEDRO C=CCCC1(CNC(=O)[C@@H](C)C[NH3+])CCCC1 ZINC000659335285 411397814 /nfs/dbraw/zinc/39/78/14/411397814.db2.gz XYHWDZJWCGOCGH-LBPRGKRZSA-N 1 0 238.375 2.224 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)nn1 ZINC000653564921 411423130 /nfs/dbraw/zinc/42/31/30/411423130.db2.gz RSMURLTZWYPUAT-RYUDHWBXSA-N 1 0 234.347 2.085 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)nn1 ZINC000653564919 411424087 /nfs/dbraw/zinc/42/40/87/411424087.db2.gz RSMURLTZWYPUAT-NEPJUHHUSA-N 1 0 234.347 2.085 20 30 BEEDRO C=CCCNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000659527675 411428848 /nfs/dbraw/zinc/42/88/48/411428848.db2.gz XWQMAFJCEXSWSQ-LLVKDONJSA-N 1 0 247.342 2.082 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cncnc1C ZINC000655733909 411442507 /nfs/dbraw/zinc/44/25/07/411442507.db2.gz UZJZDHMEPPBHMZ-LLVKDONJSA-N 1 0 235.331 2.028 20 30 BEEDRO COCC#CC[N@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000657284735 411443279 /nfs/dbraw/zinc/44/32/79/411443279.db2.gz UUFSHQHMXGUQQO-CYBMUJFWSA-N 1 0 249.329 2.338 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655738596 411444126 /nfs/dbraw/zinc/44/41/26/411444126.db2.gz YJSFSOJUXXRISB-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657363351 411480989 /nfs/dbraw/zinc/48/09/89/411480989.db2.gz IRJXXDOFQCCCBA-MRVPVSSYSA-N 1 0 247.264 2.493 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657363352 411481055 /nfs/dbraw/zinc/48/10/55/411481055.db2.gz IRJXXDOFQCCCBA-QMMMGPOBSA-N 1 0 247.264 2.493 20 30 BEEDRO C=C1CC[NH+](C[C@@H](OC)C2CCC2)CC1 ZINC000659908747 411495448 /nfs/dbraw/zinc/49/54/48/411495448.db2.gz BLKXSPMZQIWGTA-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000659942626 411505567 /nfs/dbraw/zinc/50/55/67/411505567.db2.gz XLXADXKBHPYMHO-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@](C)(CO)OC ZINC000655802120 411518715 /nfs/dbraw/zinc/51/87/15/411518715.db2.gz WWTBTNKJRNGBTR-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CC[C@H](C)C2)nn1 ZINC000657456935 411520588 /nfs/dbraw/zinc/52/05/88/411520588.db2.gz BVTIJHZYTTUPNP-QWHCGFSZSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1nc(C)c[nH]1 ZINC000657473508 411523290 /nfs/dbraw/zinc/52/32/90/411523290.db2.gz LESSAHRRBKULOK-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)nn1 ZINC000657484468 411529196 /nfs/dbraw/zinc/52/91/96/411529196.db2.gz ZSEMAJNQQUEDRQ-JSGCOSHPSA-N 1 0 248.374 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC1 ZINC000657529491 411544442 /nfs/dbraw/zinc/54/44/42/411544442.db2.gz DKBQEGKNQHZNIM-AGIUHOORSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)NCC(C)C)C1CC1 ZINC000660169175 411551270 /nfs/dbraw/zinc/55/12/70/411551270.db2.gz FSYTZFITPLOLFR-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000657582709 411554340 /nfs/dbraw/zinc/55/43/40/411554340.db2.gz BEENERITTHEIAL-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000657582916 411554704 /nfs/dbraw/zinc/55/47/04/411554704.db2.gz NNRYIBMNDJVDOT-UHFFFAOYSA-N 1 0 215.300 2.239 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000657583191 411554790 /nfs/dbraw/zinc/55/47/90/411554790.db2.gz GENAXRNTTNNYEW-UHFFFAOYSA-N 1 0 248.351 2.266 20 30 BEEDRO C=CCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657583884 411555195 /nfs/dbraw/zinc/55/51/95/411555195.db2.gz SHIMCIHSRICZLV-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCC[NH2+]Cc1ccnn1CC(C)C ZINC000657583456 411555213 /nfs/dbraw/zinc/55/52/13/411555213.db2.gz LLKDSZWJYMOXCA-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO C=C(C)CN(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660219309 411555342 /nfs/dbraw/zinc/55/53/42/411555342.db2.gz BJAZNPSPZPHXLY-ZIAGYGMSSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000657584014 411555446 /nfs/dbraw/zinc/55/54/46/411555446.db2.gz VJPJTOBHHMSMCQ-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000657624630 411566004 /nfs/dbraw/zinc/56/60/04/411566004.db2.gz LOBWJIPYBWKOOS-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC1([NH2+]Cc2ccn(C)c2)CCOCC1 ZINC000657633777 411567648 /nfs/dbraw/zinc/56/76/48/411567648.db2.gz WQGSAPYQYALSTD-UHFFFAOYSA-N 1 0 234.343 2.240 20 30 BEEDRO C=CCOCCC[NH2+]Cc1csc(C)n1 ZINC000657658106 411571932 /nfs/dbraw/zinc/57/19/32/411571932.db2.gz MVYYGQDTWGHCDV-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000657657987 411572033 /nfs/dbraw/zinc/57/20/33/411572033.db2.gz HFGAICVJXKRAHA-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ncc(Cl)s1 ZINC000657658093 411572039 /nfs/dbraw/zinc/57/20/39/411572039.db2.gz MAQIADKZSOBKLI-UHFFFAOYSA-N 1 0 246.763 2.479 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000657658991 411572239 /nfs/dbraw/zinc/57/22/39/411572239.db2.gz MYQSQEXHAUFJIR-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ncc(C)s1 ZINC000657658871 411572462 /nfs/dbraw/zinc/57/24/62/411572462.db2.gz IAHZIXXGLGCCDN-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(C)o1 ZINC000657658486 411572519 /nfs/dbraw/zinc/57/25/19/411572519.db2.gz ZPXNCXWXHWSWTK-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO CCOC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000159291923 170312406 /nfs/dbraw/zinc/31/24/06/170312406.db2.gz XJTZGTRJJVPOEL-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO CCOCC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000288680451 170351628 /nfs/dbraw/zinc/35/16/28/170351628.db2.gz XCZFBILDCMCXIJ-UHFFFAOYSA-N 1 0 236.315 2.304 20 30 BEEDRO CCOCC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000293156455 170354738 /nfs/dbraw/zinc/35/47/38/170354738.db2.gz FHXLVHNIRMSHJH-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO C=CCN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660328800 411569771 /nfs/dbraw/zinc/56/97/71/411569771.db2.gz PUABTPMNRXDASS-BETUJISGSA-N 1 0 210.365 2.082 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000127378923 170389978 /nfs/dbraw/zinc/38/99/78/170389978.db2.gz BHORCJRPPGGPNM-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO C=CCCN(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660399243 411579088 /nfs/dbraw/zinc/57/90/88/411579088.db2.gz IBJHTOFYRZDMKV-ZIAGYGMSSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CCC1([NH2+]Cc2nccn2C)CCCC1 ZINC000657703344 411582953 /nfs/dbraw/zinc/58/29/53/411582953.db2.gz WXRFHFDDGWYYIW-UHFFFAOYSA-N 1 0 219.332 2.399 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660429398 411583539 /nfs/dbraw/zinc/58/35/39/411583539.db2.gz LLXDRIHSDGKGNN-QWRGUYRKSA-N 1 0 231.286 2.451 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](OC)[C@H]1CCOC1 ZINC000660430397 411583666 /nfs/dbraw/zinc/58/36/66/411583666.db2.gz SYNXRXFDOZSIGK-MJBXVCDLSA-N 1 0 239.359 2.078 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000044688504 170446313 /nfs/dbraw/zinc/44/63/13/170446313.db2.gz JAZWOXZHWDZDHR-NSHDSACASA-N 1 0 218.300 2.073 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C)cc1Cl ZINC000657794750 411599554 /nfs/dbraw/zinc/59/95/54/411599554.db2.gz VTYZTFWZBZIRNJ-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(C)c1 ZINC000657804727 411600465 /nfs/dbraw/zinc/60/04/65/411600465.db2.gz CGQKHGKEFXCAKH-UHFFFAOYSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1COCCO1 ZINC000657842925 411610409 /nfs/dbraw/zinc/61/04/09/411610409.db2.gz LJGNRRSPRKANFU-RDBSUJKOSA-N 1 0 239.359 2.126 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660220 411614807 /nfs/dbraw/zinc/61/48/07/411614807.db2.gz WXBQJKZDVLOXFX-HUUCEWRRSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC000661114074 411712536 /nfs/dbraw/zinc/71/25/36/411712536.db2.gz CSXRAWPLMIWSOI-ZIAGYGMSSA-N 1 0 221.344 2.361 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nccc(N)n1 ZINC000661115923 411713690 /nfs/dbraw/zinc/71/36/90/411713690.db2.gz VKSTZFPQNGJWQP-NWDGAFQWSA-N 1 0 246.358 2.283 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCOCCF ZINC000663464015 411664789 /nfs/dbraw/zinc/66/47/89/411664789.db2.gz PJCGQEIPUMACRC-MNOVXSKESA-N 1 0 203.301 2.163 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000661215352 411734174 /nfs/dbraw/zinc/73/41/74/411734174.db2.gz MYAUIOMXECDBLY-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@@H+](CCc1ccncc1C)[C@H](C)COC ZINC000661238576 411739180 /nfs/dbraw/zinc/73/91/80/411739180.db2.gz DXJSYTXOKABKSS-CQSZACIVSA-N 1 0 248.370 2.455 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)CCC(C)C)[C@H](C)COC ZINC000661240608 411741198 /nfs/dbraw/zinc/74/11/98/411741198.db2.gz OYULAXNPJHNTAL-KGLIPLIRSA-N 1 0 243.391 2.306 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C)n1)[C@H](C)COC ZINC000661239619 411741512 /nfs/dbraw/zinc/74/15/12/411741512.db2.gz HTIZJHJXASQPAL-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](Cc1ccncc1)[C@H](C)COC ZINC000661244666 411742761 /nfs/dbraw/zinc/74/27/61/411742761.db2.gz XGHFZOVGYOIVJX-GFCCVEGCSA-N 1 0 220.316 2.105 20 30 BEEDRO C=CC[N@H+](Cc1cnccc1C)[C@@H](C)COC ZINC000661242651 411743053 /nfs/dbraw/zinc/74/30/53/411743053.db2.gz ROJOCSOQXHNEIK-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](Cc1cccnc1)[C@@H](C)COC ZINC000661243852 411743437 /nfs/dbraw/zinc/74/34/37/411743437.db2.gz OOLFWUWRHPCFIC-LBPRGKRZSA-N 1 0 220.316 2.105 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393339 411754078 /nfs/dbraw/zinc/75/40/78/411754078.db2.gz PSAKVVHMKSXTGB-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCCC(=O)N(C)C)C1 ZINC000661384949 411754247 /nfs/dbraw/zinc/75/42/47/411754247.db2.gz MJBLXBQLRIIKPB-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000661378374 411760144 /nfs/dbraw/zinc/76/01/44/411760144.db2.gz DZVNEPAQNWDYOA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000661378446 411760402 /nfs/dbraw/zinc/76/04/02/411760402.db2.gz GSBLPMIJSXLHKE-LLVKDONJSA-N 1 0 206.289 2.463 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCC(C)(C)O)C1 ZINC000661381099 411763052 /nfs/dbraw/zinc/76/30/52/411763052.db2.gz VLSRKCPYZVLDDK-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000661380127 411763093 /nfs/dbraw/zinc/76/30/93/411763093.db2.gz FDMFPVKAOYNMQF-GFCCVEGCSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC000661384943 411766610 /nfs/dbraw/zinc/76/66/10/411766610.db2.gz MIWNNWVWBHBYJM-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cscn1 ZINC000661425333 411773809 /nfs/dbraw/zinc/77/38/09/411773809.db2.gz SLSJHLPCVUZBHD-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661440466 411778247 /nfs/dbraw/zinc/77/82/47/411778247.db2.gz CZULUGUUTMJRFU-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661440465 411778965 /nfs/dbraw/zinc/77/89/65/411778965.db2.gz CZULUGUUTMJRFU-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2ccco2)CC1 ZINC000661162773 411724687 /nfs/dbraw/zinc/72/46/87/411724687.db2.gz VYJQYQYXVUQHNX-ZDUSSCGKSA-N 1 0 235.327 2.396 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169466 411727049 /nfs/dbraw/zinc/72/70/49/411727049.db2.gz UFNLUCUOMCZDAZ-GXTWGEPZSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1Nc1[nH+]ccc2[nH]ccc21 ZINC000663969792 411795642 /nfs/dbraw/zinc/79/56/42/411795642.db2.gz VWQIGWDGPLGRDW-NEPJUHHUSA-N 1 0 229.283 2.318 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661630157 411823645 /nfs/dbraw/zinc/82/36/45/411823645.db2.gz UBVUXKPWILKVJC-ZDUSSCGKSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[N@@H+](CCCN1CCCC1=O)C(C)(C)C ZINC000661755273 411866309 /nfs/dbraw/zinc/86/63/09/411866309.db2.gz MUMSWBZLADMTBM-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC1([NH2+]Cc2cc(=O)c(O)co2)CCCC1 ZINC000661847641 411900536 /nfs/dbraw/zinc/90/05/36/411900536.db2.gz BMVAABUWJDJGPZ-UHFFFAOYSA-N 1 0 249.310 2.324 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661872803 411912370 /nfs/dbraw/zinc/91/23/70/411912370.db2.gz DIIBLFHKEFZIQP-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000662074431 411977131 /nfs/dbraw/zinc/97/71/31/411977131.db2.gz VCUXLMRYUNWPFR-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC1CCCC1 ZINC000662081896 411979862 /nfs/dbraw/zinc/97/98/62/411979862.db2.gz SSPKMXWJHIKBIA-OKILXGFUSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C)COC1 ZINC000662083210 411982056 /nfs/dbraw/zinc/98/20/56/411982056.db2.gz AFSJVNFYMCPMMW-TXEJJXNPSA-N 1 0 207.317 2.206 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NCCC ZINC000662082733 411982196 /nfs/dbraw/zinc/98/21/96/411982196.db2.gz XHPAGRLWAQLECR-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1 ZINC000662087936 411982332 /nfs/dbraw/zinc/98/23/32/411982332.db2.gz QBSALHGDWHVVRJ-BETUJISGSA-N 1 0 217.316 2.066 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(OC)no1 ZINC000662088857 411983606 /nfs/dbraw/zinc/98/36/06/411983606.db2.gz PFABKVCTTSYNJI-PHIMTYICSA-N 1 0 234.299 2.366 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nccc(N)n1 ZINC000662089724 411984076 /nfs/dbraw/zinc/98/40/76/411984076.db2.gz DEUHOYKPYWGBPK-SDDRHHMPSA-N 1 0 244.342 2.303 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1(O)CCC1 ZINC000662088819 411984096 /nfs/dbraw/zinc/98/40/96/411984096.db2.gz NZDZKRXPSYRCTI-BETUJISGSA-N 1 0 221.344 2.475 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662145855 412006062 /nfs/dbraw/zinc/00/60/62/412006062.db2.gz ZICOCSCUZPUGPW-CHWSQXEVSA-N 1 0 211.349 2.293 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1OC(C)C ZINC000662165684 412014642 /nfs/dbraw/zinc/01/46/42/412014642.db2.gz LYCAWCWJVARIJS-CYBMUJFWSA-N 1 0 235.327 2.110 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC/C=C/c1ccccc1 ZINC000662168427 412016518 /nfs/dbraw/zinc/01/65/18/412016518.db2.gz GDPPZEAYBGHIMP-OAUONFCTSA-N 1 0 217.312 2.226 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@H]1CCC[C@H](C)C1 ZINC000662167214 412016832 /nfs/dbraw/zinc/01/68/32/412016832.db2.gz VOHLKPJRDXWBQU-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(C)C)nc1CC ZINC000662168944 412017418 /nfs/dbraw/zinc/01/74/18/412017418.db2.gz ZQIGHZRSUMQJHD-CYBMUJFWSA-N 1 0 248.370 2.404 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(C(C)C)c1 ZINC000662169918 412017731 /nfs/dbraw/zinc/01/77/31/412017731.db2.gz XQKMJZYZXXLHIN-CQSZACIVSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCO[C@H](CC)c1ccccc1 ZINC000662168872 412018167 /nfs/dbraw/zinc/01/81/67/412018167.db2.gz YFBLHUTVVLFOGZ-HUUCEWRRSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030205 411945594 /nfs/dbraw/zinc/94/55/94/411945594.db2.gz LGPYRLOIHRPUAA-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000664422142 411946393 /nfs/dbraw/zinc/94/63/93/411946393.db2.gz RAUBJDUPNDIHML-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000664422143 411946516 /nfs/dbraw/zinc/94/65/16/411946516.db2.gz RAUBJDUPNDIHML-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2ccon2)CC1 ZINC000662043172 411960866 /nfs/dbraw/zinc/96/08/66/411960866.db2.gz IAFBLYZJGLFOCK-UHFFFAOYSA-N 1 0 206.289 2.430 20 30 BEEDRO COCC#CCN1CC(C)(C)[C@H]1c1cccnc1 ZINC000664821653 412026029 /nfs/dbraw/zinc/02/60/29/412026029.db2.gz FLZUALBVRBBINW-CQSZACIVSA-N 1 0 244.338 2.114 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833371 412028752 /nfs/dbraw/zinc/02/87/52/412028752.db2.gz QCQJWKIMGGEDJA-ZIAGYGMSSA-N 1 0 246.354 2.402 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000191378256 171089056 /nfs/dbraw/zinc/08/90/56/171089056.db2.gz CTBMCHCWESTEBH-CYBMUJFWSA-N 1 0 249.383 2.224 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@H]1O ZINC000336589306 171089281 /nfs/dbraw/zinc/08/92/81/171089281.db2.gz FYKANPGZWGEMJW-UKRRQHHQSA-N 1 0 244.338 2.069 20 30 BEEDRO CC[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233989593 171342636 /nfs/dbraw/zinc/34/26/36/171342636.db2.gz QWCCSPLVILFOIW-JTQLQIEISA-N 1 0 218.300 2.455 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(COC)CCCCC1 ZINC000662341706 412110055 /nfs/dbraw/zinc/11/00/55/412110055.db2.gz RAHVNGPGQRGWOV-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662466197 412184048 /nfs/dbraw/zinc/18/40/48/412184048.db2.gz UYNFKZDYPDKEBX-RISCZKNCSA-N 1 0 244.338 2.302 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](CC)[NH2+]C ZINC000662470909 412185756 /nfs/dbraw/zinc/18/57/56/412185756.db2.gz YPZDEBSPLAJTIC-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[C@]1(C(=O)NC2CCCCC2)CCC[NH2+]1 ZINC000662432649 412169495 /nfs/dbraw/zinc/16/94/95/412169495.db2.gz VLPNNYFJBJFMOW-CQSZACIVSA-N 1 0 236.359 2.134 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cccc(C)n2)CCC[NH2+]1 ZINC000662658677 412260175 /nfs/dbraw/zinc/26/01/75/412260175.db2.gz HVWDKPQBUQPISI-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000662695892 412274838 /nfs/dbraw/zinc/27/48/38/412274838.db2.gz WXZLKAMFPGTEHT-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000662601544 412234833 /nfs/dbraw/zinc/23/48/33/412234833.db2.gz LXTJSQCFMOHDOB-RYUDHWBXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)CCCC[NH3+] ZINC000662602800 412235921 /nfs/dbraw/zinc/23/59/21/412235921.db2.gz RPFBUZGOJCDDPZ-STQMWFEESA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@@]1(C(=O)N2CCC3(CCC3)C2)CCC[NH2+]1 ZINC000662606611 412238692 /nfs/dbraw/zinc/23/86/92/412238692.db2.gz UAZRYWAYJODLSJ-HNNXBMFYSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CCCCN(C)C(=O)[C@]1(CC=C)CCC[NH2+]1 ZINC000662616821 412243622 /nfs/dbraw/zinc/24/36/22/412243622.db2.gz PYYIEUDJUFIACF-AWEZNQCLSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000662629111 412249208 /nfs/dbraw/zinc/24/92/08/412249208.db2.gz ZTJRTRVQKPGGSK-ZDUSSCGKSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]CCC)C1 ZINC000662636991 412252825 /nfs/dbraw/zinc/25/28/25/412252825.db2.gz UEPQULQKMYVMCZ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662854633 412324780 /nfs/dbraw/zinc/32/47/80/412324780.db2.gz OYEUMYIJZSEQFO-LLVKDONJSA-N 1 0 238.718 2.032 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662897310 412339216 /nfs/dbraw/zinc/33/92/16/412339216.db2.gz SEPAMXHYLVUMFW-UPJWGTAASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000662953073 412352194 /nfs/dbraw/zinc/35/21/94/412352194.db2.gz ISHKUGUIZHTHFZ-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H](C)[NH2+]CCC ZINC000662954271 412353820 /nfs/dbraw/zinc/35/38/20/412353820.db2.gz UGVCMXCAFKLIDM-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCC(C)(C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000662953321 412353952 /nfs/dbraw/zinc/35/39/52/412353952.db2.gz MCYPXLRIWQTKPH-UHFFFAOYSA-N 1 0 247.342 2.015 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662953306 412353978 /nfs/dbraw/zinc/35/39/78/412353978.db2.gz LZIAIBVOKRERHE-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H](CC(=O)N[C@@H](C)C[NH2+]C)c1ccccc1 ZINC000662968481 412359368 /nfs/dbraw/zinc/35/93/68/412359368.db2.gz IWGAMGBEZZGYGW-STQMWFEESA-N 1 0 246.354 2.070 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000662794045 412305064 /nfs/dbraw/zinc/30/50/64/412305064.db2.gz WSBRHRIXFAVGGK-GXTWGEPZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663284791 412411064 /nfs/dbraw/zinc/41/10/64/412411064.db2.gz GFTLOJOUHVAEQG-UHFFFAOYSA-N 1 0 232.327 2.205 20 30 BEEDRO CN(C(=[NH2+])NCc1ccc(Cl)cc1)C1CC1 ZINC000273319934 172291636 /nfs/dbraw/zinc/29/16/36/172291636.db2.gz FSRKJPRVLMGITH-UHFFFAOYSA-N 1 0 237.734 2.249 20 30 BEEDRO C[NH2+]CCN([C@H](C)CCCC#N)C(C)(C)C ZINC001172508968 974863577 /nfs/dbraw/zinc/86/35/77/974863577.db2.gz IGTKPUIRZBROLB-GFCCVEGCSA-N 1 0 225.380 2.389 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(C#N)n2)C1 ZINC000267204753 172537473 /nfs/dbraw/zinc/53/74/73/172537473.db2.gz ARDJJRYHLQDZIF-AAEUAGOBSA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)CC1(O)CCC1 ZINC000361753558 172845574 /nfs/dbraw/zinc/84/55/74/172845574.db2.gz KQBBJNNGWNSLRG-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO CN(c1ccc(C#N)c(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000070896767 172945893 /nfs/dbraw/zinc/94/58/93/172945893.db2.gz LZOCFBQFZJQDBS-NSHDSACASA-N 1 0 235.718 2.010 20 30 BEEDRO C[N@@H+]1CCC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000054240724 173040759 /nfs/dbraw/zinc/04/07/59/173040759.db2.gz DPSKFFORYDJJEF-LLVKDONJSA-N 1 0 247.317 2.451 20 30 BEEDRO C[N@@H+]1CCN(CCCC#N)[C@H](c2ccccc2)C1 ZINC000036998926 173080715 /nfs/dbraw/zinc/08/07/15/173080715.db2.gz MXBOCTQTTUERFE-HNNXBMFYSA-N 1 0 243.354 2.279 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccc(C#N)s2)C(C)(C)C1 ZINC000271206237 173086712 /nfs/dbraw/zinc/08/67/12/173086712.db2.gz WMCNKYBHRRPOOR-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C[NH2+]C(C)(C)CNc1ccc(Cl)c(C#N)n1 ZINC000269957811 173319082 /nfs/dbraw/zinc/31/90/82/173319082.db2.gz KVIZUHZGQVJSDG-UHFFFAOYSA-N 1 0 238.722 2.017 20 30 BEEDRO C[NH2+]C(C)(C)CNc1snc(Cl)c1C#N ZINC000271727584 173320265 /nfs/dbraw/zinc/32/02/65/173320265.db2.gz MCDQBYFXWYAEPF-UHFFFAOYSA-N 1 0 244.751 2.078 20 30 BEEDRO C[NH2+]C(C)(C)CNc1cccc(F)c1C#N ZINC000269995921 173320202 /nfs/dbraw/zinc/32/02/02/173320202.db2.gz WFUBMHATPIEKSY-UHFFFAOYSA-N 1 0 221.279 2.107 20 30 BEEDRO C[NH2+]C[C@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000071147871 173381841 /nfs/dbraw/zinc/38/18/41/173381841.db2.gz APDYKQUSRLLHIT-SNVBAGLBSA-N 1 0 249.745 2.257 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191208353 173948642 /nfs/dbraw/zinc/94/86/42/173948642.db2.gz GSBDLROTBPVBKJ-NSHDSACASA-N 1 0 249.358 2.190 20 30 BEEDRO COCC(C)(C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000292679908 174077262 /nfs/dbraw/zinc/07/72/62/174077262.db2.gz AONAAMOQMCAPRK-UHFFFAOYSA-N 1 0 238.356 2.477 20 30 BEEDRO COCC1(C)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000354794580 174093031 /nfs/dbraw/zinc/09/30/31/174093031.db2.gz PRYGRNYQLKWPIQ-UHFFFAOYSA-N 1 0 248.326 2.400 20 30 BEEDRO COCC1([NH2+]Cc2cc(C#N)cs2)CCC1 ZINC000336775390 174109408 /nfs/dbraw/zinc/10/94/08/174109408.db2.gz YWNMMZHBFWJSNJ-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833380 174219261 /nfs/dbraw/zinc/21/92/61/174219261.db2.gz DROWUTPMXXZXPT-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO COCC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000275010063 174282797 /nfs/dbraw/zinc/28/27/97/174282797.db2.gz NBGPPAYJJOGTSY-NSHDSACASA-N 1 0 218.300 2.197 20 30 BEEDRO COCC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000275010061 174283633 /nfs/dbraw/zinc/28/36/33/174283633.db2.gz NBGPPAYJJOGTSY-LLVKDONJSA-N 1 0 218.300 2.197 20 30 BEEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000268640072 174298956 /nfs/dbraw/zinc/29/89/56/174298956.db2.gz DIFXFFJUGDFCPA-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccccc1C#N)C1CC1 ZINC000179096879 174582889 /nfs/dbraw/zinc/58/28/89/174582889.db2.gz VOPVKSNZUDZXRW-AWEZNQCLSA-N 1 0 230.311 2.073 20 30 BEEDRO COCc1cccc(C[NH2+]CCCC#N)c1 ZINC000038010924 174630928 /nfs/dbraw/zinc/63/09/28/174630928.db2.gz SOXFVQXIIPGQAI-UHFFFAOYSA-N 1 0 218.300 2.226 20 30 BEEDRO COc1ccc(C[NH2+]C(C)(C)C)cc1C#N ZINC000083729892 175106032 /nfs/dbraw/zinc/10/60/32/175106032.db2.gz XXGZQPJPQBPJOF-UHFFFAOYSA-N 1 0 218.300 2.455 20 30 BEEDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(C#N)cc1F ZINC000305819000 175867376 /nfs/dbraw/zinc/86/73/76/175867376.db2.gz NTFBQDLMRDCEJN-SNVBAGLBSA-N 1 0 248.301 2.263 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000271972821 175888788 /nfs/dbraw/zinc/88/87/88/175888788.db2.gz WZYBZZJGINWBSA-MNOVXSKESA-N 1 0 248.301 2.384 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)O ZINC000187691316 176016639 /nfs/dbraw/zinc/01/66/39/176016639.db2.gz DPDTUPTVGCVGFM-NSHDSACASA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(C#N)nc1 ZINC000267377627 176070525 /nfs/dbraw/zinc/07/05/25/176070525.db2.gz KXBVKYLGHBOLNB-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191164998 176073227 /nfs/dbraw/zinc/07/32/27/176073227.db2.gz GYDADFFDJIYOTD-LLVKDONJSA-N 1 0 217.316 2.271 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1CO ZINC000125196866 176102414 /nfs/dbraw/zinc/10/24/14/176102414.db2.gz RUCRVDWABNGGBG-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000037910781 176107902 /nfs/dbraw/zinc/10/79/02/176107902.db2.gz AQITYUJVGUYWFY-RISCZKNCSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000336527831 176166168 /nfs/dbraw/zinc/16/61/68/176166168.db2.gz OTEMLEPRRIWCIL-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(C#N)s1 ZINC000336490818 176167163 /nfs/dbraw/zinc/16/71/63/176167163.db2.gz PHVAVTTWTNSMFK-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ncc(C#N)cn2)C1 ZINC000332198987 176177904 /nfs/dbraw/zinc/17/79/04/176177904.db2.gz BMUZPBIVKYBXLS-VXGBXAGGSA-N 1 0 244.342 2.216 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCS1 ZINC000135471793 176302941 /nfs/dbraw/zinc/30/29/41/176302941.db2.gz QCIFENOROXOVLG-LLVKDONJSA-N 1 0 232.352 2.496 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073219 176313936 /nfs/dbraw/zinc/31/39/36/176313936.db2.gz VGIOZFBKGVBFFA-TYNCELHUSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362099436 176316319 /nfs/dbraw/zinc/31/63/19/176316319.db2.gz UNTRPZGYDKLXMH-LALPHHSUSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1C[NH2+]CCN1c1ccc(C#N)c(Cl)c1 ZINC000061847127 176327823 /nfs/dbraw/zinc/32/78/23/176327823.db2.gz BNWVDRNYSCCNBJ-SECBINFHSA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000285582346 176339573 /nfs/dbraw/zinc/33/95/73/176339573.db2.gz UBWBQGAEWCNBNP-IUODEOHRSA-N 1 0 244.338 2.320 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000300863308 176341617 /nfs/dbraw/zinc/34/16/17/176341617.db2.gz OBNMOULUIZOFIS-SKDRFNHKSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000353037757 176343613 /nfs/dbraw/zinc/34/36/13/176343613.db2.gz KYVJVVIUWIBDOS-DOMZBBRYSA-N 1 0 244.338 2.320 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304580174 176353290 /nfs/dbraw/zinc/35/32/90/176353290.db2.gz YHPMGGUTEQHXIU-MFKMUULPSA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000335621566 176355901 /nfs/dbraw/zinc/35/59/01/176355901.db2.gz NKIRHMUWLIKVEI-LDYMZIIASA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CCO1 ZINC000341476555 176376320 /nfs/dbraw/zinc/37/63/20/176376320.db2.gz XTKVQRYIBAYIQN-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc(C#N)c1 ZINC000311072865 176872289 /nfs/dbraw/zinc/87/22/89/176872289.db2.gz KLFHDGZFXTUYPU-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000135215776 176876264 /nfs/dbraw/zinc/87/62/64/176876264.db2.gz BFVXWPYXSMOQNY-FZMZJTMJSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000264446799 177008563 /nfs/dbraw/zinc/00/85/63/177008563.db2.gz RJIUVQVWFFHKKK-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279916716 177032543 /nfs/dbraw/zinc/03/25/43/177032543.db2.gz WBFWGFAOQZWJFY-RISCZKNCSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352668361 177032586 /nfs/dbraw/zinc/03/25/86/177032586.db2.gz RMYMVUZQABKCNI-UGFHNGPFSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293309770 177035587 /nfs/dbraw/zinc/03/55/87/177035587.db2.gz WZZHLWWEJYULLK-DOMZBBRYSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000336422234 177035740 /nfs/dbraw/zinc/03/57/40/177035740.db2.gz WYFJUHLGBPDFOT-RISCZKNCSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191165015 177077969 /nfs/dbraw/zinc/07/79/69/177077969.db2.gz GYDADFFDJIYOTD-NSHDSACASA-N 1 0 217.316 2.271 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000222146406 177099130 /nfs/dbraw/zinc/09/91/30/177099130.db2.gz ZKKBGBXJNJDBPK-SWLSCSKDSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1cccc(C#N)c1 ZINC000136162982 177134022 /nfs/dbraw/zinc/13/40/22/177134022.db2.gz XMEWCVGOJVUPCQ-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000091860057 177162861 /nfs/dbraw/zinc/16/28/61/177162861.db2.gz CHMPRNVVSJHUMM-VHSXEESVSA-N 1 0 204.273 2.382 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000190690136 177164243 /nfs/dbraw/zinc/16/42/43/177164243.db2.gz NJAFYOJRKFDYAP-NSHDSACASA-N 1 0 249.383 2.224 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC000128294958 177190750 /nfs/dbraw/zinc/19/07/50/177190750.db2.gz XKHBJXKHVLJDFG-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccc(C#N)o2)C1 ZINC000356373502 177204239 /nfs/dbraw/zinc/20/42/39/177204239.db2.gz VXZQHPCXDJMFTC-RYUDHWBXSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@H]1C[N@H+](CCOc2ccc(C#N)cc2)[C@H]1C ZINC000293039007 177252185 /nfs/dbraw/zinc/25/21/85/177252185.db2.gz QNCPWCRMIBXBIW-RYUDHWBXSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000277928299 177297029 /nfs/dbraw/zinc/29/70/29/177297029.db2.gz QIJJRVYACUIGHA-JOYOIKCWSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000286194444 177306131 /nfs/dbraw/zinc/30/61/31/177306131.db2.gz XQERRUOUQJPYNB-GWCFXTLKSA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000286194446 177307273 /nfs/dbraw/zinc/30/72/73/177307273.db2.gz XQERRUOUQJPYNB-GXFFZTMASA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000289092847 177325510 /nfs/dbraw/zinc/32/55/10/177325510.db2.gz UQLWFJYIRJWYDW-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]CCc1cccc(C#N)c1 ZINC000309805525 177344731 /nfs/dbraw/zinc/34/47/31/177344731.db2.gz SBPQTAGVAGSKMC-SMDDNHRTSA-N 1 0 214.312 2.346 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000400627239 224848910 /nfs/dbraw/zinc/84/89/10/224848910.db2.gz QKLQBUUXQAALSQ-CYBMUJFWSA-N 1 0 244.338 2.465 20 30 BEEDRO C=CC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000335547978 487644459 /nfs/dbraw/zinc/64/44/59/487644459.db2.gz MLZFBFHSQKYKOR-DGCLKSJQSA-N 1 0 209.333 2.452 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@H]1CCC[C@H]1C ZINC000488059895 225345657 /nfs/dbraw/zinc/34/56/57/225345657.db2.gz HEZHDSCDJBSHIP-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000897168871 583888296 /nfs/dbraw/zinc/88/82/96/583888296.db2.gz HUMWAAOWNGLGFN-UWVGGRQHSA-N 1 0 230.149 2.115 20 30 BEEDRO C=CCCC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655273817 487664159 /nfs/dbraw/zinc/66/41/59/487664159.db2.gz QTFZGYRDZLYMDE-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000183159857 487669052 /nfs/dbraw/zinc/66/90/52/487669052.db2.gz WGDDTEVTVDOUKP-CJNGLKHVSA-N 1 0 237.368 2.272 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000378794107 487670186 /nfs/dbraw/zinc/67/01/86/487670186.db2.gz PKBVDIQMSTUGLR-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000678049372 487670886 /nfs/dbraw/zinc/67/08/86/487670886.db2.gz JCWBDZFJERHOHS-UPJWGTAASA-N 1 0 211.349 2.291 20 30 BEEDRO C[C@H](CCCCO)[NH2+]Cc1cc(C#N)cs1 ZINC000398376487 262760628 /nfs/dbraw/zinc/76/06/28/262760628.db2.gz KYUSHCVIDRZMEO-SNVBAGLBSA-N 1 0 238.356 2.260 20 30 BEEDRO C[NH+](C)CC(C)(C)Nc1cccc(F)c1C#N ZINC000308656609 229238569 /nfs/dbraw/zinc/23/85/69/229238569.db2.gz FSPRGCAPKOCPKX-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C(C)C)CC1 ZINC000678050330 487672281 /nfs/dbraw/zinc/67/22/81/487672281.db2.gz YDDZHUIGEBOFHR-CYBMUJFWSA-N 1 0 211.349 2.291 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1nccs1 ZINC000308974206 229284468 /nfs/dbraw/zinc/28/44/68/229284468.db2.gz GBVVXCJFTUAKAN-IVZWLZJFSA-N 1 0 221.329 2.486 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404144386 229375594 /nfs/dbraw/zinc/37/55/94/229375594.db2.gz NPKWKKQMARLGQB-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CC2)cc1F ZINC000404146628 229375979 /nfs/dbraw/zinc/37/59/79/229375979.db2.gz OSHGZBRGLOWQCE-UHFFFAOYSA-N 1 0 204.248 2.197 20 30 BEEDRO C=CC[N@H+](CC1CCCCC1)[C@H](CC)C(N)=O ZINC000411263620 487697489 /nfs/dbraw/zinc/69/74/89/487697489.db2.gz UCUQBNNYHSWGDJ-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000165503872 487704253 /nfs/dbraw/zinc/70/42/53/487704253.db2.gz XDWFGFOSMYZGJR-IUODEOHRSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CCC2)CC1 ZINC000671729902 487712110 /nfs/dbraw/zinc/71/21/10/487712110.db2.gz UIWWVBKPUADQIE-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000395126181 266390757 /nfs/dbraw/zinc/39/07/57/266390757.db2.gz OASOCVWDKHACFH-LSDHHAIUSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+](C)C ZINC000674246335 487720913 /nfs/dbraw/zinc/72/09/13/487720913.db2.gz JDZLDGQNSXTKSQ-ZDUSSCGKSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(F)c1N ZINC000234692765 487728030 /nfs/dbraw/zinc/72/80/30/487728030.db2.gz HRKYHMZBFLHVPF-UHFFFAOYSA-N 1 0 238.306 2.042 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCCn1cncn1 ZINC000679033896 487733033 /nfs/dbraw/zinc/73/30/33/487733033.db2.gz PPLPKRQJKRZKCZ-CYBMUJFWSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CCOC)C1CCCC1 ZINC000675489074 487739981 /nfs/dbraw/zinc/73/99/81/487739981.db2.gz FJLWTHNIYSTNRV-AWEZNQCLSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000675495370 487740918 /nfs/dbraw/zinc/74/09/18/487740918.db2.gz NUORQDLBWUDDNG-LBPRGKRZSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCOCCn1c(C)[nH+]c2c1CCCC2 ZINC000385426249 487785769 /nfs/dbraw/zinc/78/57/69/487785769.db2.gz LOBJPFGDFLTQPE-UHFFFAOYSA-N 1 0 220.316 2.273 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000681402599 487792623 /nfs/dbraw/zinc/79/26/23/487792623.db2.gz OZFOFNRYQRSEBE-CYBMUJFWSA-N 1 0 219.332 2.486 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H](OC)C1CCC1 ZINC000659839101 487800055 /nfs/dbraw/zinc/80/00/55/487800055.db2.gz RRTJFCMJSJYNSF-ZDUSSCGKSA-N 1 0 209.333 2.476 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@H]1CCC[C@H]1C ZINC000487958596 526361676 /nfs/dbraw/zinc/36/16/76/526361676.db2.gz JJASKNHRNWAYCY-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCCCCCO ZINC000794574599 586044628 /nfs/dbraw/zinc/04/46/28/586044628.db2.gz KCFYGPHTPVTBIN-UHFFFAOYSA-N 1 0 211.349 2.273 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1COC(=O)NC ZINC000495777058 527197423 /nfs/dbraw/zinc/19/74/23/527197423.db2.gz YHOOAATZUKCOGX-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000495515973 527327261 /nfs/dbraw/zinc/32/72/61/527327261.db2.gz PIBILTNLVRRTRX-NWDGAFQWSA-N 1 0 240.347 2.019 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000487976677 527250251 /nfs/dbraw/zinc/25/02/51/527250251.db2.gz ZQCLLFFGPVCJDU-UPJWGTAASA-N 1 0 227.348 2.077 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000487976676 527275686 /nfs/dbraw/zinc/27/56/86/527275686.db2.gz ZQCLLFFGPVCJDU-RWMBFGLXSA-N 1 0 227.348 2.077 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](CC)CC(F)(F)F ZINC000849042204 588448354 /nfs/dbraw/zinc/44/83/54/588448354.db2.gz CHNJPRIBPCSFLE-QMMMGPOBSA-N 1 0 237.269 2.265 20 30 BEEDRO C#C[C@H]([NH2+]CCC=C(C)C)[C@@H]1CCCO1 ZINC000851949166 588646874 /nfs/dbraw/zinc/64/68/74/588646874.db2.gz BCVNTENMNUSTAA-STQMWFEESA-N 1 0 207.317 2.113 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1cscn1 ZINC000852103618 588663516 /nfs/dbraw/zinc/66/35/16/588663516.db2.gz MRNILIWVJVEOPX-LLVKDONJSA-N 1 0 208.330 2.077 20 30 BEEDRO COCC#CC[NH+]1CCC(C)(C(C)C)CC1 ZINC000681703587 487842462 /nfs/dbraw/zinc/84/24/62/487842462.db2.gz IIKQFKYFMQEXED-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000876965320 590262234 /nfs/dbraw/zinc/26/22/34/590262234.db2.gz BOVZHVKTJHGUFV-SNVBAGLBSA-N 1 0 237.265 2.083 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000681710035 487846437 /nfs/dbraw/zinc/84/64/37/487846437.db2.gz OMAXRIRSAXQBTA-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO CC[C@@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341982045 487846627 /nfs/dbraw/zinc/84/66/27/487846627.db2.gz CSXGJSKJFJSRDU-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000681710036 487847336 /nfs/dbraw/zinc/84/73/36/487847336.db2.gz OMAXRIRSAXQBTA-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000677048502 487847668 /nfs/dbraw/zinc/84/76/68/487847668.db2.gz ZMCMFMWRJRQPMV-CABCVRRESA-N 1 0 231.339 2.413 20 30 BEEDRO OC[C@@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC000156964208 487885003 /nfs/dbraw/zinc/88/50/03/487885003.db2.gz JNQJQJGJRSKGIV-INIZCTEOSA-N 1 0 243.350 2.275 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccnn1CCC ZINC000164863628 487903233 /nfs/dbraw/zinc/90/32/33/487903233.db2.gz UIRQZGAJGRCEQN-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000676717561 487904980 /nfs/dbraw/zinc/90/49/80/487904980.db2.gz WEKYMQVZFOVAMZ-LBPRGKRZSA-N 1 0 219.332 2.305 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000566406509 322992869 /nfs/dbraw/zinc/99/28/69/322992869.db2.gz LDLWPXIQMAXFAX-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C=CCCC2)o1 ZINC000151182787 323012777 /nfs/dbraw/zinc/01/27/77/323012777.db2.gz UCIOIJYQIVXEHF-SNVBAGLBSA-N 1 0 202.257 2.350 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000562535543 323023269 /nfs/dbraw/zinc/02/32/69/323023269.db2.gz VOWRELFGGWYGQC-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000248523435 323024216 /nfs/dbraw/zinc/02/42/16/323024216.db2.gz SNCZZHPANWHZMQ-JHJVBQTASA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C(=O)OC)n1 ZINC000562583130 323024951 /nfs/dbraw/zinc/02/49/51/323024951.db2.gz IIQDKJUEDGAOLM-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000248648772 323029689 /nfs/dbraw/zinc/02/96/89/323029689.db2.gz UFJSOMBJYDDMJL-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000569862907 323042952 /nfs/dbraw/zinc/04/29/52/323042952.db2.gz LBYHEYGJDYHNSG-CYBMUJFWSA-N 1 0 214.312 2.203 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000569974401 323046412 /nfs/dbraw/zinc/04/64/12/323046412.db2.gz VRJBHVBVCUNGAM-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000569974402 323046484 /nfs/dbraw/zinc/04/64/84/323046484.db2.gz VRJBHVBVCUNGAM-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000159777728 323047601 /nfs/dbraw/zinc/04/76/01/323047601.db2.gz PZVIRYXCODXJHW-SNVBAGLBSA-N 1 0 234.299 2.198 20 30 BEEDRO C#CC[N@@H+](CCc1nccs1)C(C)C ZINC000159810723 323048811 /nfs/dbraw/zinc/04/88/11/323048811.db2.gz DXWCOBKIHHRSRP-UHFFFAOYSA-N 1 0 208.330 2.029 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)[C@@H]([NH3+])CC ZINC000159852040 323050847 /nfs/dbraw/zinc/05/08/47/323050847.db2.gz DUNFETDGNUVUOF-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO COCC1(CC[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000570449553 323059821 /nfs/dbraw/zinc/05/98/21/323059821.db2.gz KZRMPLIGNSUOKA-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC=C(C)CC1 ZINC000570477318 323060621 /nfs/dbraw/zinc/06/06/21/323060621.db2.gz CHOPVTZHVGLZJW-UPJWGTAASA-N 1 0 207.317 2.418 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000570525348 323062087 /nfs/dbraw/zinc/06/20/87/323062087.db2.gz LVOWHBVFVYHGRY-ZDUSSCGKSA-N 1 0 233.359 2.422 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000570525996 323062200 /nfs/dbraw/zinc/06/22/00/323062200.db2.gz XVOYKFGTVJUHIM-OLZOCXBDSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)O ZINC000570795495 323070608 /nfs/dbraw/zinc/07/06/08/323070608.db2.gz VREZDNZCODHGIF-JSGCOSHPSA-N 1 0 219.328 2.144 20 30 BEEDRO N#CCC[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000570837041 323072074 /nfs/dbraw/zinc/07/20/74/323072074.db2.gz NOBWYPYDWHKBSJ-ZDUSSCGKSA-N 1 0 247.317 2.298 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCC2CCCC2)CC1 ZINC000490838816 323075603 /nfs/dbraw/zinc/07/56/03/323075603.db2.gz DPVHDZNOUDVWJB-UHFFFAOYSA-N 1 0 249.354 2.065 20 30 BEEDRO C=C(C)C[NH+]1CCC(CCC(=O)OC)CC1 ZINC000531239577 323086401 /nfs/dbraw/zinc/08/64/01/323086401.db2.gz LAYIFXLUXFYEIB-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000567821788 323090029 /nfs/dbraw/zinc/09/00/29/323090029.db2.gz LIMHEFDTYCTKML-GRYCIOLGSA-N 1 0 241.379 2.156 20 30 BEEDRO Cn1cccc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000563122805 323094021 /nfs/dbraw/zinc/09/40/21/323094021.db2.gz PZCNYZZCBROOPR-UHFFFAOYSA-N 1 0 239.322 2.381 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000365517668 323097566 /nfs/dbraw/zinc/09/75/66/323097566.db2.gz UNAFBHIELDNMTN-CJNGLKHVSA-N 1 0 243.416 2.433 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000365517670 323097587 /nfs/dbraw/zinc/09/75/87/323097587.db2.gz UNAFBHIELDNMTN-XJKSGUPXSA-N 1 0 243.416 2.433 20 30 BEEDRO N#CCCCC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000571043393 323104982 /nfs/dbraw/zinc/10/49/82/323104982.db2.gz KQDLDJSKZRINGF-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000563638648 323133247 /nfs/dbraw/zinc/13/32/47/323133247.db2.gz RWIHDGZVGCABOB-QWHCGFSZSA-N 1 0 210.365 2.273 20 30 BEEDRO N#CCC[NH2+]C1CCc2ccccc2CC1 ZINC000571158554 323136913 /nfs/dbraw/zinc/13/69/13/323136913.db2.gz NCPVXDUTOCHFSE-UHFFFAOYSA-N 1 0 214.312 2.437 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000571276320 323140037 /nfs/dbraw/zinc/14/00/37/323140037.db2.gz CGJUAYQQGZKSJS-WUHRBBMRSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000563860666 323181471 /nfs/dbraw/zinc/18/14/71/323181471.db2.gz GJFXSOKVLNHSIF-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO CC[NH+](CC)Cc1cccc(C(=O)OC)c1C#N ZINC000535981189 323194993 /nfs/dbraw/zinc/19/49/93/323194993.db2.gz UGQJNZNKGGIQHX-UHFFFAOYSA-N 1 0 246.310 2.187 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC[C@H]1CCNC1=O ZINC000567246358 323335565 /nfs/dbraw/zinc/33/55/65/323335565.db2.gz LALHMMVXECQEON-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CCc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)on1 ZINC000309615670 323433008 /nfs/dbraw/zinc/43/30/08/323433008.db2.gz CRUNAVDURYJOAU-GXSJLCMTSA-N 1 0 219.288 2.019 20 30 BEEDRO N#Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)nc1 ZINC000571857650 323494459 /nfs/dbraw/zinc/49/44/59/323494459.db2.gz AJANCCCZSZYCQT-STQMWFEESA-N 1 0 227.311 2.185 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccccc1F ZINC000677048197 487958888 /nfs/dbraw/zinc/95/88/88/487958888.db2.gz PTXYPOBCRIYUEM-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO N#CCC[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000571994831 323519590 /nfs/dbraw/zinc/51/95/90/323519590.db2.gz ZEIRCFPPKFFUJU-ZDUSSCGKSA-N 1 0 229.327 2.159 20 30 BEEDRO CCC#C[C@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000677048469 487958639 /nfs/dbraw/zinc/95/86/39/487958639.db2.gz YQGDFJMAFMOZBY-LSDHHAIUSA-N 1 0 234.387 2.349 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC12CC2 ZINC000527909025 323719442 /nfs/dbraw/zinc/71/94/42/323719442.db2.gz HQPINQLELROCNQ-KXNHARMFSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000121162126 324004135 /nfs/dbraw/zinc/00/41/35/324004135.db2.gz GPZIWPCYHWDDND-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000121522095 324015914 /nfs/dbraw/zinc/01/59/14/324015914.db2.gz HUEMLZUJHWJLDI-ZDUSSCGKSA-N 1 0 246.354 2.118 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C(C)(C)CC=C ZINC000491714110 324158209 /nfs/dbraw/zinc/15/82/09/324158209.db2.gz LYTLWMMAXDLEAD-ZDUSSCGKSA-N 1 0 249.354 2.230 20 30 BEEDRO C#CC[N@@H+](C)CCCNC(=O)CCCCCC ZINC000328215388 324254972 /nfs/dbraw/zinc/25/49/72/324254972.db2.gz XUIQBRWCWZXDGM-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000126850117 324724604 /nfs/dbraw/zinc/72/46/04/324724604.db2.gz OCFQGWWBSVBXCM-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO COCC1([NH2+][C@@H](C)c2cccc(C#N)c2)CC1 ZINC000539651246 324850482 /nfs/dbraw/zinc/85/04/82/324850482.db2.gz ZXZWOIIPDQMXCT-NSHDSACASA-N 1 0 230.311 2.388 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000130794357 325088761 /nfs/dbraw/zinc/08/87/61/325088761.db2.gz CQPBVTMNQMIBHH-XQQFMLRXSA-N 1 0 221.344 2.500 20 30 BEEDRO Cc1nnc([C@@H](C)[NH2+]CCCC(C)(C)C#N)o1 ZINC000543544576 325092846 /nfs/dbraw/zinc/09/28/46/325092846.db2.gz FXRHQEIPJDKPKM-SECBINFHSA-N 1 0 236.319 2.359 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000544411315 325141873 /nfs/dbraw/zinc/14/18/73/325141873.db2.gz ZLVATCSBFUCPAT-LBPRGKRZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000545247378 325200864 /nfs/dbraw/zinc/20/08/64/325200864.db2.gz 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488357511 /nfs/dbraw/zinc/35/75/11/488357511.db2.gz NKNWCKFKFKRKEY-GHMZBOCLSA-N 1 0 249.276 2.299 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+]1CC=CCC1 ZINC000679322234 490113313 /nfs/dbraw/zinc/11/33/13/490113313.db2.gz WRPCWNPPGGOABS-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)C[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000336757085 490347414 /nfs/dbraw/zinc/34/74/14/490347414.db2.gz HLYULULCGPMCPT-AAEUAGOBSA-N 1 0 225.332 2.274 20 30 BEEDRO COCC#CC[N@H+](C)CC1CCCCC1 ZINC000677818116 490664483 /nfs/dbraw/zinc/66/44/83/490664483.db2.gz ZMWQPYDDWMTZIV-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](C)OC ZINC000182092504 491120806 /nfs/dbraw/zinc/12/08/06/491120806.db2.gz WALOXXZSXPRVCI-GFCCVEGCSA-N 1 0 235.302 2.296 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000309305807 491147239 /nfs/dbraw/zinc/14/72/39/491147239.db2.gz ASEKGXKKMFMKJE-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000310250129 491160860 /nfs/dbraw/zinc/16/08/60/491160860.db2.gz XMHPFAJYTOFIFE-UHFFFAOYSA-N 1 0 245.244 2.396 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc2cc[nH]c21 ZINC000310294929 491160964 /nfs/dbraw/zinc/16/09/64/491160964.db2.gz LAKNBDORNRPKPV-UHFFFAOYSA-N 1 0 230.311 2.460 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000890545074 582469201 /nfs/dbraw/zinc/46/92/01/582469201.db2.gz CITHHQHVCZTPAP-STQMWFEESA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCCCCCC[NH2+]C1CCN(C=O)CC1 ZINC000806167712 582519930 /nfs/dbraw/zinc/51/99/30/582519930.db2.gz GNTJLAJXKRRNJV-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000891262108 582644225 /nfs/dbraw/zinc/64/42/25/582644225.db2.gz ODPOBHKBUGWFQV-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000891262112 582644279 /nfs/dbraw/zinc/64/42/79/582644279.db2.gz ODPOBHKBUGWFQV-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000891269147 582648109 /nfs/dbraw/zinc/64/81/09/582648109.db2.gz FQXFMPXRKUPEGX-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H](C)O1 ZINC000404069391 533953238 /nfs/dbraw/zinc/95/32/38/533953238.db2.gz KXBIWSRLRUSLAD-RULNRJAQSA-N 1 0 248.301 2.353 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000358301694 535725571 /nfs/dbraw/zinc/72/55/71/535725571.db2.gz QWVJWGSDZOCYKJ-RYUDHWBXSA-N 1 0 247.342 2.303 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@@H]1C[C@@]1(C)Br ZINC000891716068 582713466 /nfs/dbraw/zinc/71/34/66/582713466.db2.gz KSQZROZZMCYSEK-KXUCPTDWSA-N 1 0 245.164 2.251 20 30 BEEDRO C[N@@H+](Cc1csc(C#N)c1)CC1CC1 ZINC000891735857 582715392 /nfs/dbraw/zinc/71/53/92/582715392.db2.gz CSVDYLIPVXWRRW-UHFFFAOYSA-N 1 0 206.314 2.462 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1CCCO1 ZINC000568947424 517776391 /nfs/dbraw/zinc/77/63/91/517776391.db2.gz VWNFTWDOIKUFIS-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc2cc[nH]c21 ZINC000321510895 534317359 /nfs/dbraw/zinc/31/73/59/534317359.db2.gz WARBYMYGAZBGAT-ZDUSSCGKSA-N 1 0 230.311 2.195 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)NCC(C)(C)[NH3+] ZINC000892033348 582767257 /nfs/dbraw/zinc/76/72/57/582767257.db2.gz DVNQHNXAIVBQBE-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccn(C)c1 ZINC000280758848 534324156 /nfs/dbraw/zinc/32/41/56/534324156.db2.gz YNOWMAQYIPITOR-KBPBESRZSA-N 1 0 234.343 2.096 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCSC1 ZINC000336766812 534326269 /nfs/dbraw/zinc/32/62/69/534326269.db2.gz SLKZJJCUAVYBPZ-SRVKXCTJSA-N 1 0 227.373 2.063 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000346194945 534342254 /nfs/dbraw/zinc/34/22/54/534342254.db2.gz PNTBTZXLSSIESW-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352551170 534349780 /nfs/dbraw/zinc/34/97/80/534349780.db2.gz VVLLOONJXQDVGB-JTQLQIEISA-N 1 0 246.310 2.186 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000309793934 534356868 /nfs/dbraw/zinc/35/68/68/534356868.db2.gz UYBXYEQMKWDOIV-MKBNYLNASA-N 1 0 243.416 2.478 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000354069015 534356763 /nfs/dbraw/zinc/35/67/63/534356763.db2.gz WIAFNPZLVXLKAJ-RWMBFGLXSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294810339 534357141 /nfs/dbraw/zinc/35/71/41/534357141.db2.gz NTXFEPSNGRODAZ-UWVGGRQHSA-N 1 0 234.347 2.372 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CC(C)C1 ZINC000309121517 534366626 /nfs/dbraw/zinc/36/66/26/534366626.db2.gz OASUZQJZLHLTBI-PYNQCMFNSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348945799 534375365 /nfs/dbraw/zinc/37/53/65/534375365.db2.gz DEZVDBSCAKGQHY-LLVKDONJSA-N 1 0 207.321 2.379 20 30 BEEDRO C=C(CC)C[N@H+](CCC(=O)OC)CC(C)C ZINC000358503165 534377433 /nfs/dbraw/zinc/37/74/33/534377433.db2.gz WYORVXMCTXAFCC-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C=C(CC)C[N@@H+](CC)Cc1cnn(C)c1 ZINC000358498630 534377316 /nfs/dbraw/zinc/37/73/16/534377316.db2.gz LTNGEBBPSDXGSC-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=C(CC)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000358624501 534376997 /nfs/dbraw/zinc/37/69/97/534376997.db2.gz LPLLSCVHRCSYQO-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](CC)Cn1cncn1 ZINC000309716960 534379973 /nfs/dbraw/zinc/37/99/73/534379973.db2.gz UGLRSDYCFFIDOF-NWDGAFQWSA-N 1 0 222.336 2.001 20 30 BEEDRO C=C(CC)C[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000360604788 534383367 /nfs/dbraw/zinc/38/33/67/534383367.db2.gz NCLBYCITCRGBNY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000303520075 534381286 /nfs/dbraw/zinc/38/12/86/534381286.db2.gz KWGOLKLEDLNCDG-UHFFFAOYSA-N 1 0 237.265 2.342 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000358500829 534388759 /nfs/dbraw/zinc/38/87/59/534388759.db2.gz QJVIPHKKMZNDTM-UWVGGRQHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000335885998 534398900 /nfs/dbraw/zinc/39/89/00/534398900.db2.gz YKLNWVUVRSDIFF-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361590632 534394963 /nfs/dbraw/zinc/39/49/63/534394963.db2.gz VJDOBWKQYZRXBI-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CCCc1cnccc1C ZINC000348134176 534395269 /nfs/dbraw/zinc/39/52/69/534395269.db2.gz FZXUFKYLELIDNC-AWEZNQCLSA-N 1 0 248.370 2.097 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000335885997 534396430 /nfs/dbraw/zinc/39/64/30/534396430.db2.gz YKLNWVUVRSDIFF-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C)ccc1F ZINC000341266489 534397618 /nfs/dbraw/zinc/39/76/18/534397618.db2.gz JFEVWIGNXWGGQJ-LBPRGKRZSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000341874502 534400388 /nfs/dbraw/zinc/40/03/88/534400388.db2.gz GTYOEXOFXNXDFC-NWDGAFQWSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000361502280 534401534 /nfs/dbraw/zinc/40/15/34/534401534.db2.gz WBDXNZZSMZLNPA-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000358510161 534418140 /nfs/dbraw/zinc/41/81/40/534418140.db2.gz OOLVOUXGJKXXRK-UHFFFAOYSA-N 1 0 231.339 2.072 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cn(C)nc1C ZINC000309156615 534418223 /nfs/dbraw/zinc/41/82/23/534418223.db2.gz XQBLMCBXHMPBPZ-JTQLQIEISA-N 1 0 207.321 2.345 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339726487 534418423 /nfs/dbraw/zinc/41/84/23/534418423.db2.gz OQDBGUKADJDAIH-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375292781 534439727 /nfs/dbraw/zinc/43/97/27/534439727.db2.gz OLYPHJLLKSTALX-LLVKDONJSA-N 1 0 215.724 2.241 20 30 BEEDRO CCCCCCCC(=O)NCC[NH2+]CC ZINC000107604571 519963812 /nfs/dbraw/zinc/96/38/12/519963812.db2.gz IGOMDOHQUCXNQS-UHFFFAOYSA-N 1 0 214.353 2.073 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]([NH3+])CC ZINC000111197913 519964156 /nfs/dbraw/zinc/96/41/56/519964156.db2.gz RXPCVIVVDDGXEG-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000361270317 534465659 /nfs/dbraw/zinc/46/56/59/534465659.db2.gz ALCFWAHHHOXORB-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000305646166 534532520 /nfs/dbraw/zinc/53/25/20/534532520.db2.gz AQOLDOYZFDDFQS-CHWSQXEVSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175220677 534532615 /nfs/dbraw/zinc/53/26/15/534532615.db2.gz NGRCKHFORMNXDG-GFCCVEGCSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000289867589 534538903 /nfs/dbraw/zinc/53/89/03/534538903.db2.gz OWCNUUUCUQMRGG-AWEZNQCLSA-N 1 0 219.328 2.248 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc(Cl)cs1 ZINC000289857580 534539123 /nfs/dbraw/zinc/53/91/23/534539123.db2.gz OIQSVPROKNUUCP-QMMMGPOBSA-N 1 0 217.721 2.038 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000263083067 534542453 /nfs/dbraw/zinc/54/24/53/534542453.db2.gz HXKFAPSCUNNYDT-UHFFFAOYSA-N 1 0 232.331 2.411 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cn(C)nc1C ZINC000293045323 534553795 /nfs/dbraw/zinc/55/37/95/534553795.db2.gz SUAYNFWCAYHEET-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000366472420 534568767 /nfs/dbraw/zinc/56/87/67/534568767.db2.gz LQVJQHSMZFMFRU-CYBMUJFWSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC1(CNC2=[NH+]CCCN2C)CCCC1 ZINC000263183097 534596432 /nfs/dbraw/zinc/59/64/32/534596432.db2.gz UNIRMYMKVHSSEY-UHFFFAOYSA-N 1 0 235.375 2.404 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000356767066 534612042 /nfs/dbraw/zinc/61/20/42/534612042.db2.gz ITXMAGXXUAUVDP-OCCSQVGLSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCCC(=O)NC1CC[NH+](CCCC)CC1 ZINC000338749098 534612674 /nfs/dbraw/zinc/61/26/74/534612674.db2.gz MZHCWZGJFVPTMA-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000367639385 534627187 /nfs/dbraw/zinc/62/71/87/534627187.db2.gz VRRWHUXZVZGVFI-UHFFFAOYSA-N 1 0 248.301 2.376 20 30 BEEDRO C=CCCC1(C(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000341307157 534635891 /nfs/dbraw/zinc/63/58/91/534635891.db2.gz FTRAWKDRYJIAJA-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC1(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000357622367 534636326 /nfs/dbraw/zinc/63/63/26/534636326.db2.gz PUKZXUQIMLNVBF-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000175775828 534647406 /nfs/dbraw/zinc/64/74/06/534647406.db2.gz GYLXPCMRBKSMKO-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263259823 534664251 /nfs/dbraw/zinc/66/42/51/534664251.db2.gz LWLKKAMQWHJUQD-SECBINFHSA-N 1 0 209.337 2.022 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000262549525 534664406 /nfs/dbraw/zinc/66/44/06/534664406.db2.gz XCZAHRMLFAKBEF-OLZOCXBDSA-N 1 0 245.370 2.320 20 30 BEEDRO C=CCCCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000179230016 534665069 /nfs/dbraw/zinc/66/50/69/534665069.db2.gz FYRQFAFZWRRMRY-CYBMUJFWSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371885355 534665217 /nfs/dbraw/zinc/66/52/17/534665217.db2.gz CXUCAFUYOYTAAK-OLZOCXBDSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000175267837 534666332 /nfs/dbraw/zinc/66/63/32/534666332.db2.gz YRDPASLSHIQDMF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000354287928 534680949 /nfs/dbraw/zinc/68/09/49/534680949.db2.gz WPGSTVITCHGLJL-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000309013774 534682559 /nfs/dbraw/zinc/68/25/59/534682559.db2.gz SUGZKZYDSOZOES-VHSXEESVSA-N 1 0 211.349 2.194 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000353582483 534685176 /nfs/dbraw/zinc/68/51/76/534685176.db2.gz RNSSHJYWEBLVBE-OCCSQVGLSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1c[nH]nc1C ZINC000336364164 534695265 /nfs/dbraw/zinc/69/52/65/534695265.db2.gz LZOCUNFDKDEBPG-LBPRGKRZSA-N 1 0 205.305 2.259 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(N)s1 ZINC000261536638 534696781 /nfs/dbraw/zinc/69/67/81/534696781.db2.gz SGOQUYSQVFVTQU-VIFPVBQESA-N 1 0 223.345 2.266 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000353492676 534699192 /nfs/dbraw/zinc/69/91/92/534699192.db2.gz XWPZTSGNHAIKFF-CQSZACIVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000369555372 534723180 /nfs/dbraw/zinc/72/31/80/534723180.db2.gz BTMDFKQJWJWLDB-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](C)[C@H](CO)C1 ZINC000362091215 534758332 /nfs/dbraw/zinc/75/83/32/534758332.db2.gz SHANCRXLKJLZHA-AVGNSLFASA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362091216 534758500 /nfs/dbraw/zinc/75/85/00/534758500.db2.gz SHANCRXLKJLZHA-FRRDWIJNSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000351957338 534774304 /nfs/dbraw/zinc/77/43/04/534774304.db2.gz JUOKWBIGRDMZJA-NEPJUHHUSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000309450077 534778652 /nfs/dbraw/zinc/77/86/52/534778652.db2.gz MIAQIGCGUHRQHN-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294292158 534779173 /nfs/dbraw/zinc/77/91/73/534779173.db2.gz ZHJDGCVLAREDNP-VXGBXAGGSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC12CCOCC2 ZINC000368523301 534779874 /nfs/dbraw/zinc/77/98/74/534779874.db2.gz TZGAAOMQJPDEKA-ZDUSSCGKSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000336731237 534806280 /nfs/dbraw/zinc/80/62/80/534806280.db2.gz KPKAVOIQNDZTFP-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1CC1 ZINC000357623904 534813993 /nfs/dbraw/zinc/81/39/93/534813993.db2.gz UKEGHYLISWDMSI-NSHDSACASA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1CCO[C@H](C)C1 ZINC000352745044 534830484 /nfs/dbraw/zinc/83/04/84/534830484.db2.gz SVXXBIHBPOGHHP-OLZOCXBDSA-N 1 0 209.333 2.476 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)S)C1 ZINC001172916358 974965236 /nfs/dbraw/zinc/96/52/36/974965236.db2.gz BIIJGZYLSXZPLF-VHSXEESVSA-N 1 0 217.378 2.242 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1CCO[C@@H](C)C1 ZINC000352745046 534830867 /nfs/dbraw/zinc/83/08/67/534830867.db2.gz SVXXBIHBPOGHHP-STQMWFEESA-N 1 0 209.333 2.476 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(C(C)C)cc1 ZINC000264123812 534843679 /nfs/dbraw/zinc/84/36/79/534843679.db2.gz VTAFIBWKUZDEMV-UHFFFAOYSA-N 1 0 231.343 2.400 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)C1CCCC1 ZINC000261905206 534843296 /nfs/dbraw/zinc/84/32/96/534843296.db2.gz SFQOZNBIVKMTPV-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO C=CCNC(=[NH2+])NCC1CC(c2ccccc2)C1 ZINC000261601613 534844534 /nfs/dbraw/zinc/84/45/34/534844534.db2.gz BSPXKVIBWJWOIT-UHFFFAOYSA-N 1 0 243.354 2.271 20 30 BEEDRO C=CCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000261734196 534848901 /nfs/dbraw/zinc/84/89/01/534848901.db2.gz MCBSTCLJEPKQSA-ZDUSSCGKSA-N 1 0 236.746 2.472 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1scnc1C ZINC000348055244 534873081 /nfs/dbraw/zinc/87/30/81/534873081.db2.gz PMQFONSNHABKLD-UHFFFAOYSA-N 1 0 240.372 2.476 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCSC1 ZINC000348037580 534873998 /nfs/dbraw/zinc/87/39/98/534873998.db2.gz RHSRNBKZAPAGKV-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000348098182 534874296 /nfs/dbraw/zinc/87/42/96/534874296.db2.gz FAKPPVKVZWFLOT-KBPBESRZSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@H+](CCC#N)CC1CC1 ZINC000348048842 534874896 /nfs/dbraw/zinc/87/48/96/534874896.db2.gz NZTBBJYKIKOAFA-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CCOCCC[N@@H+](CCO)Cc1ccccc1 ZINC000348056499 534875071 /nfs/dbraw/zinc/87/50/71/534875071.db2.gz RHIGNJUVDFHJJZ-UHFFFAOYSA-N 1 0 249.354 2.074 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](COC)c1ccco1 ZINC000348047346 534875660 /nfs/dbraw/zinc/87/56/60/534875660.db2.gz KFKQVNDXOPERKW-LBPRGKRZSA-N 1 0 239.315 2.149 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000336752414 534875855 /nfs/dbraw/zinc/87/58/55/534875855.db2.gz DHKSFABXETVDNG-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348537377 534876205 /nfs/dbraw/zinc/87/62/05/534876205.db2.gz STPZLXRPJDLFAK-WDEREUQCSA-N 1 0 249.301 2.329 20 30 BEEDRO C=CCOCC[N@H+](CC1CC1)C1CCC1 ZINC000339148000 534876321 /nfs/dbraw/zinc/87/63/21/534876321.db2.gz KBFAJRYPSXLJAG-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCC[N@H+](Cc1cccnc1)C(C)C ZINC000339054085 534877140 /nfs/dbraw/zinc/87/71/40/534877140.db2.gz LDEDAGGJBNASFJ-UHFFFAOYSA-N 1 0 234.343 2.495 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@@H]1CC[C@H](C)C1 ZINC000339135318 534877153 /nfs/dbraw/zinc/87/71/53/534877153.db2.gz RXDAFSLLALTJOJ-UONOGXRCSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C ZINC000339130807 534877690 /nfs/dbraw/zinc/87/76/90/534877690.db2.gz APIFWGLIBKXYFQ-UONOGXRCSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@@H]1CCC[C@H]1C ZINC000339130817 534877719 /nfs/dbraw/zinc/87/77/19/534877719.db2.gz APIFWGLIBKXYFQ-ZIAGYGMSSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000338961695 534877815 /nfs/dbraw/zinc/87/78/15/534877815.db2.gz DBOLIASHHAGSTG-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOCC[NH+]1CCC(C(F)F)CC1 ZINC000339022327 534878262 /nfs/dbraw/zinc/87/82/62/534878262.db2.gz FVJOXOKPNAVFHP-UHFFFAOYSA-N 1 0 219.275 2.166 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CC[C@](C)(O)C2)cc1 ZINC000354026770 534883567 /nfs/dbraw/zinc/88/35/67/534883567.db2.gz YWLKPGYUXZHSSD-HNNXBMFYSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CC[C@@H](CO)CNc1cc[nH+]c2ccccc12 ZINC000340901205 534888521 /nfs/dbraw/zinc/88/85/21/534888521.db2.gz SIILXSWOJKPFLA-GFCCVEGCSA-N 1 0 242.322 2.253 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496764144 526444023 /nfs/dbraw/zinc/44/40/23/526444023.db2.gz QRHUJMJEUOBTRE-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000508975999 526455319 /nfs/dbraw/zinc/45/53/19/526455319.db2.gz FTCRDZGSYBSZMC-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(C)CN(C)C(=O)c1ccccc1C[NH+](C)C ZINC000487223301 526500856 /nfs/dbraw/zinc/50/08/56/526500856.db2.gz MOGIKBRFFQCJOY-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=C(C)C[N@H+](CCO)Cc1cccc(F)c1 ZINC000494252384 526553863 /nfs/dbraw/zinc/55/38/63/526553863.db2.gz XQMZOCJJKZJUBY-UHFFFAOYSA-N 1 0 223.291 2.196 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000472352186 526607967 /nfs/dbraw/zinc/60/79/67/526607967.db2.gz VXFBGSAXDMUJRP-UONOGXRCSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000495540642 526678284 /nfs/dbraw/zinc/67/82/84/526678284.db2.gz KISHMKPJHUVZPR-NWDGAFQWSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H]1C[C@@H]1C ZINC000336757218 526781630 /nfs/dbraw/zinc/78/16/30/526781630.db2.gz JXLOLMVSPHHMRU-LOWDOPEQSA-N 1 0 209.333 2.213 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1 ZINC000471809922 526873626 /nfs/dbraw/zinc/87/36/26/526873626.db2.gz MQFKNOCJOXHRNR-JSGCOSHPSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCC2(CCCC2)O1 ZINC000491149173 526896680 /nfs/dbraw/zinc/89/66/80/526896680.db2.gz ZCTXPLCGQZTBRO-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491730904 526897150 /nfs/dbraw/zinc/89/71/50/526897150.db2.gz AABOGBOLFLKTTM-ZFWWWQNUSA-N 1 0 231.339 2.106 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CCC=C)C1CCCC1 ZINC000305085257 526903252 /nfs/dbraw/zinc/90/32/52/526903252.db2.gz NTAOICDDPDDGCR-AWEZNQCLSA-N 1 0 221.344 2.191 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000173655191 527029102 /nfs/dbraw/zinc/02/91/02/527029102.db2.gz TZMZWTVKVJFVNB-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000488205600 527132427 /nfs/dbraw/zinc/13/24/27/527132427.db2.gz YUIWKXXUZVPHKJ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000173655208 527135788 /nfs/dbraw/zinc/13/57/88/527135788.db2.gz TZMZWTVKVJFVNB-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000400468921 527136839 /nfs/dbraw/zinc/13/68/39/527136839.db2.gz WJXVUGLQVVOFGL-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCNC(=O)CC1CC[NH+](C)CC1 ZINC000487198809 527146028 /nfs/dbraw/zinc/14/60/28/527146028.db2.gz NPWBWIOYJVPYFT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308364404 527235368 /nfs/dbraw/zinc/23/53/68/527235368.db2.gz JNZZOFQSGNMZDR-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)ccc1OC ZINC000309217723 527244703 /nfs/dbraw/zinc/24/47/03/527244703.db2.gz FWSLWKATAZKWLD-LBPRGKRZSA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])NCCc1cccs1 ZINC000491732163 527247133 /nfs/dbraw/zinc/24/71/33/527247133.db2.gz HFGOMTFWGJSWPT-NSHDSACASA-N 1 0 249.383 2.206 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000484729995 527250589 /nfs/dbraw/zinc/25/05/89/527250589.db2.gz SHANCRXLKJLZHA-UPJWGTAASA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494670705 527275088 /nfs/dbraw/zinc/27/50/88/527275088.db2.gz GOOBXLSBOIIGLN-RYUDHWBXSA-N 1 0 209.333 2.188 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C(C)C ZINC000302372498 527291183 /nfs/dbraw/zinc/29/11/83/527291183.db2.gz OSQWDVMQRZNWAJ-CYBMUJFWSA-N 1 0 245.322 2.205 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300976953 527362842 /nfs/dbraw/zinc/36/28/42/527362842.db2.gz SUVMDDFLDXBJOI-CHWSQXEVSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(OC)CC1)C(C)C ZINC000300882728 527409971 /nfs/dbraw/zinc/40/99/71/527409971.db2.gz JBVMBADMYSWJMQ-BPCQOVAHSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C ZINC000308841065 527410106 /nfs/dbraw/zinc/41/01/06/527410106.db2.gz KCSZBNABNVOJPC-NSHDSACASA-N 1 0 222.719 2.482 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC000300899850 527413153 /nfs/dbraw/zinc/41/31/53/527413153.db2.gz KUGAVQWRBGNYED-HZSPNIEDSA-N 1 0 223.360 2.437 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000503530352 527458245 /nfs/dbraw/zinc/45/82/45/527458245.db2.gz DYARUHFKFWEJDF-GMTAPVOTSA-N 1 0 249.301 2.063 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)C[C@H]1CC ZINC000472576961 527492850 /nfs/dbraw/zinc/49/28/50/527492850.db2.gz IYPIBSQWZTXRNX-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)C[C@@H]1CC ZINC000472576938 527494269 /nfs/dbraw/zinc/49/42/69/527494269.db2.gz IYPIBSQWZTXRNX-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO CC(C)[C@H]1CN(c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000487098975 527860966 /nfs/dbraw/zinc/86/09/66/527860966.db2.gz SVOCVLIVVYQIJY-OAHLLOKOSA-N 1 0 243.354 2.335 20 30 BEEDRO CC1CCN(C(=[NH2+])NCC2(C3CC3)CC2)CC1 ZINC000305187296 528211049 /nfs/dbraw/zinc/21/10/49/528211049.db2.gz FJXDCNCDVWAMDN-UHFFFAOYSA-N 1 0 235.375 2.223 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CCSC1 ZINC000495176023 528634540 /nfs/dbraw/zinc/63/45/40/528634540.db2.gz WFAGRLIUVHAXNN-WDEREUQCSA-N 1 0 212.362 2.221 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCSC1 ZINC000495176012 528705700 /nfs/dbraw/zinc/70/57/00/528705700.db2.gz WFAGRLIUVHAXNN-GHMZBOCLSA-N 1 0 212.362 2.221 20 30 BEEDRO CC(C)(C)OC1CC([NH2+]CCCC#N)C1 ZINC000309025361 534964414 /nfs/dbraw/zinc/96/44/14/534964414.db2.gz ZQDLGGILPCGMES-UHFFFAOYSA-N 1 0 210.321 2.226 20 30 BEEDRO CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NCC#N ZINC000274830531 534986652 /nfs/dbraw/zinc/98/66/52/534986652.db2.gz JOLAQNPRVRGDPD-HNNXBMFYSA-N 1 0 245.370 2.256 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CC2(C1)CCOC2 ZINC000354760428 534996703 /nfs/dbraw/zinc/99/67/03/534996703.db2.gz IUDTYQBKVKWDNE-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000353576059 535017575 /nfs/dbraw/zinc/01/75/75/535017575.db2.gz MREPTWJNWPDLHM-MCIONIFRSA-N 1 0 237.391 2.387 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCO[C@@H]21 ZINC000349375739 535077875 /nfs/dbraw/zinc/07/78/75/535077875.db2.gz CXAKMECMDSMCAY-CLPYTZEMSA-N 1 0 234.343 2.082 20 30 BEEDRO CC(C)[C@H]([NH2+]CC1(C#N)CC1)C1(CO)CCC1 ZINC000339731316 535122732 /nfs/dbraw/zinc/12/27/32/535122732.db2.gz NKEROJRKSUZXBG-LBPRGKRZSA-N 1 0 236.359 2.067 20 30 BEEDRO CC(C)NC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000262815722 535125645 /nfs/dbraw/zinc/12/56/45/535125645.db2.gz OWJZQOKNEAJSGS-XYPYZODXSA-N 1 0 249.333 2.384 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353252035 535160627 /nfs/dbraw/zinc/16/06/27/535160627.db2.gz IUARZTLXUHPBDR-HUUCEWRRSA-N 1 0 244.338 2.152 20 30 BEEDRO CCC([NH3+])(CC)CNc1ccc(C#N)cc1 ZINC000168514945 535195802 /nfs/dbraw/zinc/19/58/02/535195802.db2.gz VFHJADGSRLCPNJ-UHFFFAOYSA-N 1 0 217.316 2.488 20 30 BEEDRO CCC(N)=[NH+]OCc1csc([C@H](C)OC)n1 ZINC000267005987 535227542 /nfs/dbraw/zinc/22/75/42/535227542.db2.gz JTDXGDXTDHVDDZ-ZETCQYMHSA-N 1 0 243.332 2.049 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cccc(F)c1 ZINC000264126967 535261761 /nfs/dbraw/zinc/26/17/61/535261761.db2.gz SMYQZQSDVMOVRD-UHFFFAOYSA-N 1 0 223.295 2.030 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccccc1OCC ZINC000264139012 535261778 /nfs/dbraw/zinc/26/17/78/535261778.db2.gz VXMVHWCGCQKSJI-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cc(C)c(O)c(C)c1 ZINC000264064064 535261988 /nfs/dbraw/zinc/26/19/88/535261988.db2.gz AOTOAJBBJUAQLG-UHFFFAOYSA-N 1 0 249.358 2.213 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1CC1(C)C)N[C@H](C)CC ZINC000262457566 535262831 /nfs/dbraw/zinc/26/28/31/535262831.db2.gz WYUOCJAFOSMLHX-MNOVXSKESA-N 1 0 225.380 2.386 20 30 BEEDRO CCC[N@H+](CC)CCNc1nc(C)ccc1C#N ZINC000218062533 535300233 /nfs/dbraw/zinc/30/02/33/535300233.db2.gz DQFRZGCAZKZUAT-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCC1=CCCC1 ZINC000133898514 535388083 /nfs/dbraw/zinc/38/80/83/535388083.db2.gz ZQAAIXJXENDTEE-UHFFFAOYSA-N 1 0 209.337 2.143 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1cc(C)cs1 ZINC000263043745 535389223 /nfs/dbraw/zinc/38/92/23/535389223.db2.gz CRPYMHFGJFYKRE-UHFFFAOYSA-N 1 0 225.361 2.213 20 30 BEEDRO CC[NH+](CC)CCNc1cc(C#N)cc(C)n1 ZINC000160932879 535542913 /nfs/dbraw/zinc/54/29/13/535542913.db2.gz MFBQUUKLOZCZOH-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)c1nccs1 ZINC000070634264 535803568 /nfs/dbraw/zinc/80/35/68/535803568.db2.gz NTOVSDKKJPSKCB-SECBINFHSA-N 1 0 209.318 2.488 20 30 BEEDRO CC[C@@H]([NH2+]CCOCCC#N)c1nccs1 ZINC000339084171 535803993 /nfs/dbraw/zinc/80/39/93/535803993.db2.gz SGJSIWMKNCUARS-SNVBAGLBSA-N 1 0 239.344 2.114 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000263213785 535818645 /nfs/dbraw/zinc/81/86/45/535818645.db2.gz ZKYTXBKLTCFHFI-VXGBXAGGSA-N 1 0 223.364 2.094 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000263094729 535818705 /nfs/dbraw/zinc/81/87/05/535818705.db2.gz JEEMXHGMWBJDDP-QJPTWQEYSA-N 1 0 223.364 2.140 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+]CCCCC#N)CCO1 ZINC000309718207 535899329 /nfs/dbraw/zinc/89/93/29/535899329.db2.gz UXDSYGYZITVXCT-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)[C@H]1CCOC1 ZINC000167262499 535900230 /nfs/dbraw/zinc/90/02/30/535900230.db2.gz WZZJGCOMPWCPGM-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000339077585 535940050 /nfs/dbraw/zinc/94/00/50/535940050.db2.gz UAICRMUCINWENC-YUTCNCBUSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263066675 536065536 /nfs/dbraw/zinc/06/55/36/536065536.db2.gz GFDFFWWBZQTXDE-QWHCGFSZSA-N 1 0 237.391 2.484 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCOC1 ZINC000087595667 536313666 /nfs/dbraw/zinc/31/36/66/536313666.db2.gz FOBQYOMOUROCKK-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[NH2+][C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000061847078 536366149 /nfs/dbraw/zinc/36/61/49/536366149.db2.gz UWFJOIXHBQNBKL-LLVKDONJSA-N 1 0 249.745 2.400 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2(C#N)CC2)CC1(C)C ZINC000336294354 536684792 /nfs/dbraw/zinc/68/47/92/536684792.db2.gz ZJDMUUOQWAOIFT-LLVKDONJSA-N 1 0 222.332 2.037 20 30 BEEDRO COc1cc(C[NH2+]CCCC#N)ccc1C ZINC000278933001 536796436 /nfs/dbraw/zinc/79/64/36/536796436.db2.gz WRAPEFDPFSVTBW-UHFFFAOYSA-N 1 0 218.300 2.397 20 30 BEEDRO COCC1(C#N)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000341980492 536801322 /nfs/dbraw/zinc/80/13/22/536801322.db2.gz CYQJJWRGARSJER-UHFFFAOYSA-N 1 0 249.358 2.178 20 30 BEEDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000339112879 537128243 /nfs/dbraw/zinc/12/82/43/537128243.db2.gz WGQGHDXIRBGDAU-SDDRHHMPSA-N 1 0 245.326 2.433 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(OC)o1 ZINC000892942002 583013504 /nfs/dbraw/zinc/01/35/04/583013504.db2.gz PNDMADLLCVSWSP-UHFFFAOYSA-N 1 0 227.329 2.297 20 30 BEEDRO C#Cc1cccnc1NCCC[NH+]1CCCCC1 ZINC000853094749 588719568 /nfs/dbraw/zinc/71/95/68/588719568.db2.gz MKZGLRZNMMCTFY-UHFFFAOYSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)c1ccccn1 ZINC000853104454 588720351 /nfs/dbraw/zinc/72/03/51/588720351.db2.gz UBLZONSTZOCJJI-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C#Cc1cccnc1NC[C@H](CC(C)C)[NH+](C)C ZINC000853135617 588722319 /nfs/dbraw/zinc/72/23/19/588722319.db2.gz FECIKSITZGIGJB-AWEZNQCLSA-N 1 0 245.370 2.451 20 30 BEEDRO C(=[NH+]n1cnnc1)C1C2CC3CC(C2)CC1C3 ZINC000853254063 588729521 /nfs/dbraw/zinc/72/95/21/588729521.db2.gz KVSZSSLDHORMLC-UHFFFAOYSA-N 1 0 230.315 2.184 20 30 BEEDRO C(C[NH+]1CCCCC1)NN=C1CCCC12CC2 ZINC000853291755 588730285 /nfs/dbraw/zinc/73/02/85/588730285.db2.gz OHYMMSOOLFGXPM-UHFFFAOYSA-N 1 0 235.375 2.382 20 30 BEEDRO C[C@H]1CCCCN1[NH+]=Cc1cnccc1N(C)C ZINC000853378632 588738926 /nfs/dbraw/zinc/73/89/26/588738926.db2.gz AGHNNCMAGLFUDN-LBPRGKRZSA-N 1 0 246.358 2.356 20 30 BEEDRO C[C@@H]1CC(=NN2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000853381160 588739697 /nfs/dbraw/zinc/73/96/97/588739697.db2.gz XQCCIQZSURZOLF-NWDGAFQWSA-N 1 0 223.364 2.331 20 30 BEEDRO CC(=[NH+]N1CCCC[C@H]1C)c1ccc(N)nc1 ZINC000853382209 588740108 /nfs/dbraw/zinc/74/01/08/588740108.db2.gz VMXLDUKBYMEQBL-SNVBAGLBSA-N 1 0 232.331 2.262 20 30 BEEDRO C#Cc1cccnc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853412330 588741526 /nfs/dbraw/zinc/74/15/26/588741526.db2.gz ZVCACGAGTJDIIG-KGLIPLIRSA-N 1 0 243.354 2.348 20 30 BEEDRO C#Cc1cccnc1N[C@H](C)C[N@H+](C)C(C)C ZINC000853636817 588751277 /nfs/dbraw/zinc/75/12/77/588751277.db2.gz JCRMDZNBHYLPTO-GFCCVEGCSA-N 1 0 231.343 2.204 20 30 BEEDRO C=C(Cl)CON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000853667174 588753736 /nfs/dbraw/zinc/75/37/36/588753736.db2.gz ZCLFVXKGRZEYIE-JTQLQIEISA-N 1 0 245.754 2.112 20 30 BEEDRO CC(=O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000111690585 588767350 /nfs/dbraw/zinc/76/73/50/588767350.db2.gz CYGOGGCMDHNFAV-UHFFFAOYSA-N 1 0 242.322 2.359 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000890550437 582472291 /nfs/dbraw/zinc/47/22/91/582472291.db2.gz XKKQHAUJUMIFNU-RYUDHWBXSA-N 1 0 236.359 2.036 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C(C)(C)CC ZINC000855367089 588829393 /nfs/dbraw/zinc/82/93/93/588829393.db2.gz BADMARPCAGXVPM-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000890810733 582571824 /nfs/dbraw/zinc/57/18/24/582571824.db2.gz CAVWOFHYUXINMT-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000890813534 582574795 /nfs/dbraw/zinc/57/47/95/582574795.db2.gz LBJGQGMRVVHZDY-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000890814526 582574822 /nfs/dbraw/zinc/57/48/22/582574822.db2.gz VFJUGAOIYMIKFX-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCC(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000855489931 588838069 /nfs/dbraw/zinc/83/80/69/588838069.db2.gz DGAVZPFJPQUAEH-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000891796071 582723444 /nfs/dbraw/zinc/72/34/44/582723444.db2.gz BERNZAZNEAAIHQ-SECBINFHSA-N 1 0 206.314 2.462 20 30 BEEDRO Cc1cc(F)c(C#N)c(N2CCC[N@@H+](C)CC2)c1 ZINC000891438868 582685810 /nfs/dbraw/zinc/68/58/10/582685810.db2.gz VLKMCXMPMIFOFV-UHFFFAOYSA-N 1 0 247.317 2.148 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000625705218 582686437 /nfs/dbraw/zinc/68/64/37/582686437.db2.gz YYNNESNAGAMIBP-GFCCVEGCSA-N 1 0 242.326 2.127 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000625705221 582686561 /nfs/dbraw/zinc/68/65/61/582686561.db2.gz YYNNESNAGAMIBP-LBPRGKRZSA-N 1 0 242.326 2.127 20 30 BEEDRO CON=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779766911 582695179 /nfs/dbraw/zinc/69/51/79/582695179.db2.gz ARWZWLXVAGALNY-UHFFFAOYSA-N 1 0 224.226 2.037 20 30 BEEDRO CCOc1ccc(CN(C)C[C@H](C)C#N)o1 ZINC000891715617 582713133 /nfs/dbraw/zinc/71/31/33/582713133.db2.gz GKPPSVZSAHDPSX-SNVBAGLBSA-N 1 0 222.288 2.270 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000891754237 582717006 /nfs/dbraw/zinc/71/70/06/582717006.db2.gz ZIRLFIOHCLNPKY-LLVKDONJSA-N 1 0 241.379 2.158 20 30 BEEDRO C[NH+](C)C[C@@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892033260 582767478 /nfs/dbraw/zinc/76/74/78/582767478.db2.gz DHVUKUOGNQYNIS-NSHDSACASA-N 1 0 249.383 2.003 20 30 BEEDRO [NH2+]=C(NCCCc1ccccc1)N1CCCCC1 ZINC000104153214 582791946 /nfs/dbraw/zinc/79/19/46/582791946.db2.gz FWFJGINZZZRTRU-UHFFFAOYSA-N 1 0 245.370 2.420 20 30 BEEDRO C=CCCCCCNC(=O)NCCC(C)(C)[NH3+] ZINC000892236182 582810857 /nfs/dbraw/zinc/81/08/57/582810857.db2.gz LIVBLSKLNCTZLO-UHFFFAOYSA-N 1 0 241.379 2.159 20 30 BEEDRO C#C[C@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000848751994 582812774 /nfs/dbraw/zinc/81/27/74/582812774.db2.gz ZDTYASSGFFEYLP-LBPRGKRZSA-N 1 0 200.285 2.240 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000851773444 582967161 /nfs/dbraw/zinc/96/71/61/582967161.db2.gz VGCXSQDIRJTKQZ-OAHLLOKOSA-N 1 0 233.355 2.459 20 30 BEEDRO C#C[C@](C)(CC)NCc1nc(C)oc1C ZINC000852104017 583002969 /nfs/dbraw/zinc/00/29/69/583002969.db2.gz YOFVJHFTOFDGHM-GFCCVEGCSA-N 1 0 206.289 2.183 20 30 BEEDRO CCOc1ccc(C[NH2+]CCCCC#N)o1 ZINC000892930333 583011040 /nfs/dbraw/zinc/01/10/40/583011040.db2.gz SJFYAVUUQZOCKC-UHFFFAOYSA-N 1 0 222.288 2.462 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000892930287 583011409 /nfs/dbraw/zinc/01/14/09/583011409.db2.gz WXXMFWWNRMQHBH-UHFFFAOYSA-N 1 0 222.263 2.315 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000852411776 583013339 /nfs/dbraw/zinc/01/33/39/583013339.db2.gz VJFHUSBJRYDLSQ-STQMWFEESA-N 1 0 237.343 2.228 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892950546 583016968 /nfs/dbraw/zinc/01/69/68/583016968.db2.gz NPULXSPKDGVSBI-JTQLQIEISA-N 1 0 219.332 2.352 20 30 BEEDRO Cc1cc(F)c(C#N)c(NCC[NH+]2CCC2)c1 ZINC000892952710 583017704 /nfs/dbraw/zinc/01/77/04/583017704.db2.gz IPEGLDDYURVBKH-UHFFFAOYSA-N 1 0 233.290 2.123 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H](C)COC(C)=O)c1ccncc1 ZINC000892973047 583024291 /nfs/dbraw/zinc/02/42/91/583024291.db2.gz MSISROADSHPUQA-FZMZJTMJSA-N 1 0 248.326 2.240 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000893113816 583051641 /nfs/dbraw/zinc/05/16/41/583051641.db2.gz QAVMEFYUKXWIJY-VIFPVBQESA-N 1 0 237.299 2.074 20 30 BEEDRO C=CCSCC[NH2+]Cc1cn(C)nc1Cl ZINC000856769557 588876908 /nfs/dbraw/zinc/87/69/08/588876908.db2.gz SFNBNLHRERTWAO-UHFFFAOYSA-N 1 0 245.779 2.082 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000893284396 583085241 /nfs/dbraw/zinc/08/52/41/583085241.db2.gz QUZFHCRQBJDCDT-UKRRQHHQSA-N 1 0 245.366 2.491 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccco1)[C@@H]1CCCO1 ZINC000775572039 583093998 /nfs/dbraw/zinc/09/39/98/583093998.db2.gz NZTYUTUAEBYEGQ-SNPRPXQTSA-N 1 0 247.338 2.371 20 30 BEEDRO COc1cccc(NC(=[NH2+])NCCC(C)C)c1 ZINC000104152728 583106735 /nfs/dbraw/zinc/10/67/35/583106735.db2.gz GFYYYIXOGHLSEI-UHFFFAOYSA-N 1 0 235.331 2.468 20 30 BEEDRO C=CC1(OC(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000893363854 583125589 /nfs/dbraw/zinc/12/55/89/583125589.db2.gz HPAINAYKZZOAOW-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H](CO)CC=C ZINC000320738355 583137566 /nfs/dbraw/zinc/13/75/66/583137566.db2.gz LPRLQRRWBIIVTC-CQSZACIVSA-N 1 0 247.338 2.278 20 30 BEEDRO C=CCCN(C)c1cc(N)[nH+]cc1Cl ZINC000893405514 583138421 /nfs/dbraw/zinc/13/84/21/583138421.db2.gz FGFUJGKDQUKYBA-UHFFFAOYSA-N 1 0 211.696 2.330 20 30 BEEDRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCCC#N ZINC000893514177 583155772 /nfs/dbraw/zinc/15/57/72/583155772.db2.gz JLRRXLILKDVYHC-RKDXNWHRSA-N 1 0 231.137 2.053 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1 ZINC000857060893 588884551 /nfs/dbraw/zinc/88/45/51/588884551.db2.gz FUQPQNWIFWMQCZ-CJNGLKHVSA-N 1 0 243.350 2.118 20 30 BEEDRO Cc1noc2ncc(CN(C)C[C@H](C)C#N)cc12 ZINC000893961673 583256125 /nfs/dbraw/zinc/25/61/25/583256125.db2.gz IDOIFPGRULCCDT-SECBINFHSA-N 1 0 244.298 2.123 20 30 BEEDRO C=C1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000894005407 583273901 /nfs/dbraw/zinc/27/39/01/583273901.db2.gz FSYDGFUDGGNMHN-UHFFFAOYSA-N 1 0 243.310 2.421 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000894059891 583291803 /nfs/dbraw/zinc/29/18/03/583291803.db2.gz MOXWDDFLUIRIJY-LLVKDONJSA-N 1 0 217.316 2.062 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc2c1OCC2 ZINC000894060548 583292562 /nfs/dbraw/zinc/29/25/62/583292562.db2.gz UWLKDPAYMWLWND-LLVKDONJSA-N 1 0 215.296 2.075 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(NC(C)=O)c1)C(C)C ZINC000877512984 583320020 /nfs/dbraw/zinc/32/00/20/583320020.db2.gz HSMIUILODAEPTJ-OAHLLOKOSA-N 1 0 244.338 2.392 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CC[P@](C)(=O)OCC ZINC000877513565 583321146 /nfs/dbraw/zinc/32/11/46/583321146.db2.gz AVMOEKDWJRTWMF-FIXISWKDSA-N 1 0 231.276 2.321 20 30 BEEDRO COc1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000894197056 583335367 /nfs/dbraw/zinc/33/53/67/583335367.db2.gz BEFXLKRGNITLDY-UHFFFAOYSA-N 1 0 220.272 2.072 20 30 BEEDRO COc1nccc(C[NH2+]CC2(CC#N)CC2)c1F ZINC000894198266 583337824 /nfs/dbraw/zinc/33/78/24/583337824.db2.gz XPEOYNUIYYLKHX-UHFFFAOYSA-N 1 0 249.289 2.013 20 30 BEEDRO CCCSC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000894204592 583340534 /nfs/dbraw/zinc/34/05/34/583340534.db2.gz QQJGAAQKDQCPIO-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000877834817 583349708 /nfs/dbraw/zinc/34/97/08/583349708.db2.gz ZSQUFEVAOOUNJW-NGFQHRJXSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000878097131 583361391 /nfs/dbraw/zinc/36/13/91/583361391.db2.gz UKZSIIOJCRGQEX-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000894232830 583385692 /nfs/dbraw/zinc/38/56/92/583385692.db2.gz JXALPTJFHHCHTC-YVECIDJPSA-N 1 0 227.348 2.123 20 30 BEEDRO N#Cc1cc(C[NH+]2CCC3(CCO3)CC2)cs1 ZINC000894263273 583400437 /nfs/dbraw/zinc/40/04/37/583400437.db2.gz PRCFSPJDZDVIPR-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894333462 583426180 /nfs/dbraw/zinc/42/61/80/583426180.db2.gz XKMLBTFNZIOPEA-SNVBAGLBSA-N 1 0 221.300 2.373 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1COc2ccccc2C1 ZINC000894383410 583442875 /nfs/dbraw/zinc/44/28/75/583442875.db2.gz JQSXIFKGJANVJE-SCRDCRAPSA-N 1 0 229.323 2.238 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000894384044 583442929 /nfs/dbraw/zinc/44/29/29/583442929.db2.gz PMSLRMXHTFLYKB-LLVKDONJSA-N 1 0 215.296 2.123 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)o1)C(C)C ZINC000894386804 583443628 /nfs/dbraw/zinc/44/36/28/583443628.db2.gz FNSSCYNECMZYQZ-LLVKDONJSA-N 1 0 207.273 2.036 20 30 BEEDRO C#C[C@H]([NH2+]CC1CCC(OC)CC1)C(C)C ZINC000894387059 583443648 /nfs/dbraw/zinc/44/36/48/583443648.db2.gz HXKOLZXIXRYUPS-RUXDESIVSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(C)C ZINC000894387195 583444505 /nfs/dbraw/zinc/44/45/05/583444505.db2.gz KSVFJJPKVFOSIC-ZIHBUVQPSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn2ccnc2s1)C(C)C ZINC000894387623 583444611 /nfs/dbraw/zinc/44/46/11/583444611.db2.gz RDPAGOPYVKMFFY-NSHDSACASA-N 1 0 233.340 2.143 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000894387440 583444757 /nfs/dbraw/zinc/44/47/57/583444757.db2.gz MOTCNYLOSFFDRQ-OPRDCNLKSA-N 1 0 230.149 2.161 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)noc1CC ZINC000894387510 583444858 /nfs/dbraw/zinc/44/48/58/583444858.db2.gz OBWWARCKKHLHSU-SNVBAGLBSA-N 1 0 206.289 2.047 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000894387993 583445634 /nfs/dbraw/zinc/44/56/34/583445634.db2.gz YUYAAQIICDCXRK-JTQLQIEISA-N 1 0 204.298 2.121 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894417081 583454335 /nfs/dbraw/zinc/45/43/35/583454335.db2.gz ZXRGAXHIJCXAGK-UHFFFAOYSA-N 1 0 231.299 2.276 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894469602 583467777 /nfs/dbraw/zinc/46/77/77/583467777.db2.gz NLOLJEOKMXLLIA-LBPRGKRZSA-N 1 0 248.326 2.491 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)Cc1csc(C#N)c1 ZINC000894477773 583470073 /nfs/dbraw/zinc/47/00/73/583470073.db2.gz XOEKVBSKBNKFDS-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnc2onc(C)c2c1 ZINC000894493781 583474182 /nfs/dbraw/zinc/47/41/82/583474182.db2.gz CXWZPMYQGYPLAW-UHFFFAOYSA-N 1 0 217.272 2.149 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)C(C)(C)C ZINC000894517748 583476619 /nfs/dbraw/zinc/47/66/19/583476619.db2.gz QEJQKGHEOIBPIS-ZDUSSCGKSA-N 1 0 245.370 2.435 20 30 BEEDRO Cc1cc(F)c(C#N)c(N(C)CC2C[NH+](C)C2)c1 ZINC000894540047 583480613 /nfs/dbraw/zinc/48/06/13/583480613.db2.gz CCSFBGJSDSVOFQ-UHFFFAOYSA-N 1 0 247.317 2.004 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc2c1NCCC2 ZINC000894573417 583486693 /nfs/dbraw/zinc/48/66/93/583486693.db2.gz ASNYQOACNNAJLX-LBPRGKRZSA-N 1 0 228.339 2.498 20 30 BEEDRO C=CC(C)(C)CCNc1nc(N)cc(C)[nH+]1 ZINC000894697691 583509650 /nfs/dbraw/zinc/50/96/50/583509650.db2.gz QBUDLSPRNOQTGD-UHFFFAOYSA-N 1 0 220.320 2.381 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(OC)cn1 ZINC000894714161 583511399 /nfs/dbraw/zinc/51/13/99/583511399.db2.gz DRRIJDOLZNLECF-UHFFFAOYSA-N 1 0 220.316 2.392 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(OC)cn1 ZINC000894710587 583512117 /nfs/dbraw/zinc/51/21/17/583512117.db2.gz AJLTYPPBUQWTNI-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CF)C2)o1 ZINC000880238601 583512123 /nfs/dbraw/zinc/51/21/23/583512123.db2.gz ILEZCZZNULQIHW-JTQLQIEISA-N 1 0 222.263 2.333 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894711431 583512821 /nfs/dbraw/zinc/51/28/21/583512821.db2.gz JBZJJSPFRNJVRZ-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894776047 583518091 /nfs/dbraw/zinc/51/80/91/583518091.db2.gz RZEYDEUAMBNHOI-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1csc(C#N)c1 ZINC000894765257 583518387 /nfs/dbraw/zinc/51/83/87/583518387.db2.gz ZELSASLJPWIPAE-JTQLQIEISA-N 1 0 238.356 2.213 20 30 BEEDRO Cc1nnc([C@@H](C)[NH2+]C2CCC(C)(C#N)CC2)[nH]1 ZINC000894777002 583519234 /nfs/dbraw/zinc/51/92/34/583519234.db2.gz HOBZVOYUAPKNMK-CBZQXFMTSA-N 1 0 247.346 2.236 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCO[C@H]1CCCCO1 ZINC000894798258 583522306 /nfs/dbraw/zinc/52/23/06/583522306.db2.gz DABSKSIGDZINKX-STQMWFEESA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1COCO1 ZINC000894879176 583542777 /nfs/dbraw/zinc/54/27/77/583542777.db2.gz QPQRUOFVDKPTPB-NWDGAFQWSA-N 1 0 213.321 2.084 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cnccn1 ZINC000894984009 583564485 /nfs/dbraw/zinc/56/44/85/583564485.db2.gz FOCFKKFFXSDCIM-JTQLQIEISA-N 1 0 218.304 2.067 20 30 BEEDRO Cc1cc(F)ncc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000895010037 583567522 /nfs/dbraw/zinc/56/75/22/583567522.db2.gz KYQRTZYLTWUASG-CMPLNLGQSA-N 1 0 233.290 2.311 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000134636747 583584264 /nfs/dbraw/zinc/58/42/64/583584264.db2.gz JCJMMUUFDXLRNW-NEPJUHHUSA-N 1 0 207.321 2.216 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000895098102 583588436 /nfs/dbraw/zinc/58/84/36/583588436.db2.gz JNBCNJFJRKIMFG-CYBMUJFWSA-N 1 0 235.371 2.463 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000793552641 583589723 /nfs/dbraw/zinc/58/97/23/583589723.db2.gz ZVXMWFJDJHFPIF-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO C[C@H]1CC(=NNCC2CCCC2)CC[N@@H+]1C ZINC000808006175 583590295 /nfs/dbraw/zinc/59/02/95/583590295.db2.gz RUBASOLMDGHILI-NSHDSACASA-N 1 0 223.364 2.236 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]CCc1ccc(C)c(C)c1 ZINC000895131378 583600908 /nfs/dbraw/zinc/60/09/08/583600908.db2.gz HRGLULUFCKZSOP-INIZCTEOSA-N 1 0 245.366 2.210 20 30 BEEDRO CC(C)=CCC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895161021 583609535 /nfs/dbraw/zinc/60/95/35/583609535.db2.gz DBFWWLAZWUNRSQ-NEPJUHHUSA-N 1 0 240.347 2.091 20 30 BEEDRO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160910 583609806 /nfs/dbraw/zinc/60/98/06/583609806.db2.gz PVOJPPSMLFRCSI-SDDRHHMPSA-N 1 0 242.363 2.171 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857869767 588916782 /nfs/dbraw/zinc/91/67/82/588916782.db2.gz RIDUBOIHRCUAHP-NSHDSACASA-N 1 0 205.305 2.343 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000895204950 583624913 /nfs/dbraw/zinc/62/49/13/583624913.db2.gz LSDDUSADOZUDKO-NSHDSACASA-N 1 0 233.286 2.377 20 30 BEEDRO N#CCC1C[NH+](Cc2cccc3c2CCOC3)C1 ZINC000895253794 583633840 /nfs/dbraw/zinc/63/38/40/583633840.db2.gz KIVZKFZCHJPYIO-UHFFFAOYSA-N 1 0 242.322 2.105 20 30 BEEDRO CC1=NO[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000895299832 583641919 /nfs/dbraw/zinc/64/19/19/583641919.db2.gz GHBLBBMQVZALBJ-CPCZMJQVSA-N 1 0 235.331 2.213 20 30 BEEDRO CC1=NO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000895309579 583646519 /nfs/dbraw/zinc/64/65/19/583646519.db2.gz UMRIMBUHGUKZTC-LLVKDONJSA-N 1 0 223.320 2.071 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc(F)n2)CC[N@@H+]1C ZINC000795007363 583648178 /nfs/dbraw/zinc/64/81/78/583648178.db2.gz WZJFFKHMSAQEMS-VIFPVBQESA-N 1 0 236.294 2.103 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895322545 583649997 /nfs/dbraw/zinc/64/99/97/583649997.db2.gz VBVRLXALBNISTN-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCCC ZINC000895340323 583654504 /nfs/dbraw/zinc/65/45/04/583654504.db2.gz OXXWOZGUIJXTMW-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000895383699 583662766 /nfs/dbraw/zinc/66/27/66/583662766.db2.gz APJRKYKKSMOTRE-CABCVRRESA-N 1 0 247.382 2.439 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000895384624 583662934 /nfs/dbraw/zinc/66/29/34/583662934.db2.gz QIMYNFVUXFNMLU-UONOGXRCSA-N 1 0 235.371 2.273 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1CSC1 ZINC000895432979 583671420 /nfs/dbraw/zinc/67/14/20/583671420.db2.gz HMNNSMBDBKORLC-UHFFFAOYSA-N 1 0 232.352 2.380 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2CSC2)cc1 ZINC000895421980 583673487 /nfs/dbraw/zinc/67/34/87/583673487.db2.gz QAWXQGYYKCLDKD-UHFFFAOYSA-N 1 0 217.337 2.121 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000895437259 583674465 /nfs/dbraw/zinc/67/44/65/583674465.db2.gz YFQWXBMELVOLNL-TZMCWYRMSA-N 1 0 248.370 2.333 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cs1 ZINC000895441887 583675088 /nfs/dbraw/zinc/67/50/88/583675088.db2.gz BECOPSBUXSZFLJ-NWDGAFQWSA-N 1 0 248.351 2.088 20 30 BEEDRO COC1CCC(C[N@@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000895450285 583675839 /nfs/dbraw/zinc/67/58/39/583675839.db2.gz FCFJOZRSUYJVLD-JXQTWKCFSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000895490837 583680816 /nfs/dbraw/zinc/68/08/16/583680816.db2.gz TXYWYKISKOYLCX-ZYHUDNBSSA-N 1 0 245.313 2.174 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000895490836 583680945 /nfs/dbraw/zinc/68/09/45/583680945.db2.gz TXYWYKISKOYLCX-PWSUYJOCSA-N 1 0 245.313 2.174 20 30 BEEDRO N#Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cs1 ZINC000895556451 583690860 /nfs/dbraw/zinc/69/08/60/583690860.db2.gz AYWZTTWLGNTUAP-AOOOYVTPSA-N 1 0 204.298 2.071 20 30 BEEDRO C#CCC1(O)CC[NH+](C[C@@H](C)CCC)CC1 ZINC000895670925 583706367 /nfs/dbraw/zinc/70/63/67/583706367.db2.gz XOIVWMYAZNKSOB-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CC(C)(C)C#N ZINC000895672193 583706974 /nfs/dbraw/zinc/70/69/74/583706974.db2.gz ORALTENLYWOSQN-OLZOCXBDSA-N 1 0 236.359 2.333 20 30 BEEDRO CC(C)(F)C[NH2+]CC#Cc1ccccc1 ZINC000895690545 583707388 /nfs/dbraw/zinc/70/73/88/583707388.db2.gz FDEOYKZKUWDFFW-UHFFFAOYSA-N 1 0 205.276 2.376 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1CCC2(COC2)CC1 ZINC000895695023 583708500 /nfs/dbraw/zinc/70/85/00/583708500.db2.gz PVJUOXIZQVZZDO-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000895712988 583710676 /nfs/dbraw/zinc/71/06/76/583710676.db2.gz FWMFCFDUMCLZON-LBPRGKRZSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](OC)C1CCCC1 ZINC000895712849 583710755 /nfs/dbraw/zinc/71/07/55/583710755.db2.gz DWHIAJFWTRRSIB-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](OC)C1CCCC1 ZINC000895712850 583710861 /nfs/dbraw/zinc/71/08/61/583710861.db2.gz DWHIAJFWTRRSIB-KGLIPLIRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CC1Cc2ccccc2C1 ZINC000895713028 583711250 /nfs/dbraw/zinc/71/12/50/583711250.db2.gz IBRLCUWJBJOAOD-INIZCTEOSA-N 1 0 245.366 2.318 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CC1CCSCC1 ZINC000895713487 583711397 /nfs/dbraw/zinc/71/13/97/583711397.db2.gz PIFOENJFOLEMEB-GFCCVEGCSA-N 1 0 229.389 2.046 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCCN(CC#C)C1 ZINC000895746590 583716477 /nfs/dbraw/zinc/71/64/77/583716477.db2.gz ACQSWMAWPQCVSD-MRXNPFEDSA-N 1 0 246.398 2.257 20 30 BEEDRO C=CCC[C@H](COc1ccccc1)[NH2+]CCCO ZINC000883165027 583730780 /nfs/dbraw/zinc/73/07/80/583730780.db2.gz TXXBUKHRZIJERK-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO CC(C)OC1C[NH+](C[C@H](C)CCC#N)C1 ZINC000895955294 583752459 /nfs/dbraw/zinc/75/24/59/583752459.db2.gz QFYPVLQNHIQRQD-LLVKDONJSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CSCCC ZINC000896035616 583765078 /nfs/dbraw/zinc/76/50/78/583765078.db2.gz WQMRLIHJTFOTSK-NWDGAFQWSA-N 1 0 231.405 2.435 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OCC)o1 ZINC000896036037 583765085 /nfs/dbraw/zinc/76/50/85/583765085.db2.gz ZYUOTVTVNRGSOR-LLVKDONJSA-N 1 0 239.315 2.095 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CCC[C@H](C#N)C1)OC ZINC000896503576 583807866 /nfs/dbraw/zinc/80/78/66/583807866.db2.gz LDCSOANWXBZXNJ-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCO[C@H](C)CC2)cc1 ZINC000896586304 583815699 /nfs/dbraw/zinc/81/56/99/583815699.db2.gz WGMCSSRPGCDNQT-CYBMUJFWSA-N 1 0 229.323 2.279 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H]1CCCC[C@H]1C ZINC000203025403 583856561 /nfs/dbraw/zinc/85/65/61/583856561.db2.gz WHGXFJQCJIVKNP-GHMZBOCLSA-N 1 0 211.353 2.127 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(C#N)n2)CCCCO1 ZINC000896924244 583857548 /nfs/dbraw/zinc/85/75/48/583857548.db2.gz QMXQFWFQHUSVPT-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000897169077 583888346 /nfs/dbraw/zinc/88/83/46/583888346.db2.gz LOXMTOXOFNYJFY-UHFFFAOYSA-N 1 0 213.284 2.018 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccsc1 ZINC000858331916 588946028 /nfs/dbraw/zinc/94/60/28/588946028.db2.gz KWNYIYUKYGSCDQ-GFCCVEGCSA-N 1 0 223.341 2.266 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858297465 588942687 /nfs/dbraw/zinc/94/26/87/588942687.db2.gz DKIYCXOWKBCOLU-HOTGVXAUSA-N 1 0 241.334 2.325 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCC=CO2)CCC1 ZINC000897350484 583928968 /nfs/dbraw/zinc/92/89/68/583928968.db2.gz DSXJPVUWXFYRAL-GFCCVEGCSA-N 1 0 205.301 2.215 20 30 BEEDRO FC(F)CNN=C1CC[NH+](C2CCCC2)CC1 ZINC000740618462 583930902 /nfs/dbraw/zinc/93/09/02/583930902.db2.gz RFVZUJGBIMPYFC-UHFFFAOYSA-N 1 0 245.317 2.236 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccc(OC)c1 ZINC000858331618 588946211 /nfs/dbraw/zinc/94/62/11/588946211.db2.gz GCYIMWSUSLZIHE-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H]1CC=CCC1 ZINC000858332067 588946124 /nfs/dbraw/zinc/94/61/24/588946124.db2.gz MPOUHMRYQPTTCO-KBPBESRZSA-N 1 0 221.344 2.361 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000104409958 583978125 /nfs/dbraw/zinc/97/81/25/583978125.db2.gz VORDEVPHJMJTFC-OAHLLOKOSA-N 1 0 242.322 2.359 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000858334893 588946294 /nfs/dbraw/zinc/94/62/94/588946294.db2.gz HSMYZQCJLAYYMU-CQSZACIVSA-N 1 0 247.338 2.132 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334903 588946544 /nfs/dbraw/zinc/94/65/44/588946544.db2.gz SVRMETIELKAGNH-SAXRGWBVSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000858335300 588947063 /nfs/dbraw/zinc/94/70/63/588947063.db2.gz XGKLAABGMCWZQE-YNEHKIRRSA-N 1 0 241.400 2.289 20 30 BEEDRO CN(C)c1ccc(C=[NH+]N[C@@H]2CCSC2)cc1 ZINC000808002912 583991709 /nfs/dbraw/zinc/99/17/09/583991709.db2.gz QWHZSEQFWXVRGW-GFCCVEGCSA-N 1 0 249.383 2.182 20 30 BEEDRO N#CC1CCC([NH2+]CC2(C3(O)CCC3)CC2)CC1 ZINC000897526909 584004530 /nfs/dbraw/zinc/00/45/30/584004530.db2.gz HBOHMRSPVNEKAM-UHFFFAOYSA-N 1 0 248.370 2.354 20 30 BEEDRO CC1(c2ccccc2)CC(=[NH+]n2cnnc2)C1 ZINC000729631336 584020613 /nfs/dbraw/zinc/02/06/13/584020613.db2.gz GZXBBWZBIVPSRI-UHFFFAOYSA-N 1 0 226.283 2.234 20 30 BEEDRO O=C1C=COC2(CC[NH+](Cc3ccco3)CC2)C1 ZINC000897602914 584026215 /nfs/dbraw/zinc/02/62/15/584026215.db2.gz ZVRCKIZGXNJBTL-UHFFFAOYSA-N 1 0 247.294 2.117 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCCC ZINC000729809783 584026457 /nfs/dbraw/zinc/02/64/57/584026457.db2.gz PFXZUGPDJRFCLH-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(Cl)CN1CCC[C@H](n2ccnc2)C1 ZINC000729932352 584030554 /nfs/dbraw/zinc/03/05/54/584030554.db2.gz ZGUIBWMMCUWENV-NSHDSACASA-N 1 0 225.723 2.273 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897685137 584039811 /nfs/dbraw/zinc/03/98/11/584039811.db2.gz DQQPJDUQCAOHQE-IUODEOHRSA-N 1 0 247.338 2.064 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1CCCCO1 ZINC000858407527 588952044 /nfs/dbraw/zinc/95/20/44/588952044.db2.gz HVEJMAWJGVYLEV-SMDDNHRTSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cnn(CCF)c1 ZINC000897737047 584046564 /nfs/dbraw/zinc/04/65/64/584046564.db2.gz IIZSTICELIDRCC-LLVKDONJSA-N 1 0 225.311 2.297 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819444 584051582 /nfs/dbraw/zinc/05/15/82/584051582.db2.gz RWGAZYJUIWEDLY-QSAXWINLSA-N 1 0 221.344 2.353 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC12CC(O)C2 ZINC000897848434 584054103 /nfs/dbraw/zinc/05/41/03/584054103.db2.gz LJLMMMKLJUAHBJ-SZQBSXBZSA-N 1 0 209.333 2.090 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)o1 ZINC000897953981 584063870 /nfs/dbraw/zinc/06/38/70/584063870.db2.gz WGACBXDWIDFTBJ-OASPWFOLSA-N 1 0 216.284 2.429 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC000897957913 584066357 /nfs/dbraw/zinc/06/63/57/584066357.db2.gz FDUFWEQFQPIVRR-ZLKJLUDKSA-N 1 0 227.311 2.231 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]32)C1 ZINC000897960083 584068152 /nfs/dbraw/zinc/06/81/52/584068152.db2.gz YQWFYUSDFZKRDJ-UJPOAAIJSA-N 1 0 204.317 2.457 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC000897960082 584068249 /nfs/dbraw/zinc/06/82/49/584068249.db2.gz YQWFYUSDFZKRDJ-QNWJLWSRSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(CCO)C2)C1 ZINC000898010936 584071446 /nfs/dbraw/zinc/07/14/46/584071446.db2.gz QFBWERLFQBBMIG-NELGMTEASA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000898036326 584078979 /nfs/dbraw/zinc/07/89/79/584078979.db2.gz CAODAKGZCZXEPL-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cn(C)cn2)C1 ZINC000898043287 584080905 /nfs/dbraw/zinc/08/09/05/584080905.db2.gz KWQFHYDRGTXRNR-NEPJUHHUSA-N 1 0 219.332 2.255 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)C1 ZINC000898064499 584081339 /nfs/dbraw/zinc/08/13/39/584081339.db2.gz HGJAKPQQWUZDLK-IGQOVBAYSA-N 1 0 246.354 2.227 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](O)C1CC1 ZINC000898202884 584089583 /nfs/dbraw/zinc/08/95/83/584089583.db2.gz FAJXBQXDZHWZJH-DMDPSCGWSA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC[C@@H](O)C1CC1 ZINC000898203539 584090413 /nfs/dbraw/zinc/09/04/13/584090413.db2.gz WNSOYQBFYRZHTP-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@H](O)C1CC1 ZINC000898198909 584098292 /nfs/dbraw/zinc/09/82/92/584098292.db2.gz WIZXHTUQLVYHAD-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO Cc1ncccc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000898253714 584101678 /nfs/dbraw/zinc/10/16/78/584101678.db2.gz STHZMYQUTCSRGM-GXTWGEPZSA-N 1 0 229.327 2.214 20 30 BEEDRO Cc1ncccc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000898253715 584101699 /nfs/dbraw/zinc/10/16/99/584101699.db2.gz STHZMYQUTCSRGM-JSGCOSHPSA-N 1 0 229.327 2.214 20 30 BEEDRO CSCC(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000898304628 584109016 /nfs/dbraw/zinc/10/90/16/584109016.db2.gz HPJFFLUMIZKYEJ-UHFFFAOYSA-N 1 0 235.356 2.184 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000898379447 584113449 /nfs/dbraw/zinc/11/34/49/584113449.db2.gz GCSZORCJWYJEFZ-PIOWNMBXSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2COC[C@@H]2C2CC2)C1 ZINC000898381688 584114584 /nfs/dbraw/zinc/11/45/84/584114584.db2.gz KYHKTEIQPUVPLU-CABNGKKXSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC=C(C(=O)OC)C1 ZINC000858471737 588958448 /nfs/dbraw/zinc/95/84/48/588958448.db2.gz DATMEGNGIKIJTC-LOWVWBTDSA-N 1 0 237.343 2.439 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC=C(C(=O)OC)C1 ZINC000858471734 588958510 /nfs/dbraw/zinc/95/85/10/588958510.db2.gz DATMEGNGIKIJTC-DMDPSCGWSA-N 1 0 237.343 2.439 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C/C=C/Cl ZINC000898428006 584133164 /nfs/dbraw/zinc/13/31/64/584133164.db2.gz GLCRHRXJPMLJDG-DGXRNCNBSA-N 1 0 242.750 2.427 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn2ccccc2n1 ZINC000898456768 584136579 /nfs/dbraw/zinc/13/65/79/584136579.db2.gz GRNOQWZANJGLLZ-UHFFFAOYSA-N 1 0 215.300 2.389 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000898457077 584136710 /nfs/dbraw/zinc/13/67/10/584136710.db2.gz KIJDXOYDBHEWLJ-UHFFFAOYSA-N 1 0 221.300 2.455 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc2ccccn12 ZINC000898456554 584136780 /nfs/dbraw/zinc/13/67/80/584136780.db2.gz BUBVMNORQGKRMW-UHFFFAOYSA-N 1 0 215.300 2.389 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn(C)nc1CC ZINC000898456734 584136873 /nfs/dbraw/zinc/13/68/73/584136873.db2.gz DCCHCLPVBHAXHG-UHFFFAOYSA-N 1 0 207.321 2.037 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000898459993 584137019 /nfs/dbraw/zinc/13/70/19/584137019.db2.gz ANCMECGKOLLWCW-QMMMGPOBSA-N 1 0 226.345 2.251 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000898457997 584137110 /nfs/dbraw/zinc/13/71/10/584137110.db2.gz UMIHWTYYIUGHSN-UHFFFAOYSA-N 1 0 246.358 2.131 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc(F)c1N ZINC000898460991 584138188 /nfs/dbraw/zinc/13/81/88/584138188.db2.gz XTSCNNNSNDJPCV-UHFFFAOYSA-N 1 0 208.280 2.462 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000898460531 584138287 /nfs/dbraw/zinc/13/82/87/584138287.db2.gz NIHRCIFBIXSKTN-UHFFFAOYSA-N 1 0 201.273 2.007 20 30 BEEDRO C=C1CN(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC000898692048 584149172 /nfs/dbraw/zinc/14/91/72/584149172.db2.gz JDLIZTXNVHNPDJ-UHFFFAOYSA-N 1 0 248.326 2.133 20 30 BEEDRO C=C1CN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000898694528 584153924 /nfs/dbraw/zinc/15/39/24/584153924.db2.gz IEFQRKLPHLPLTP-CQSZACIVSA-N 1 0 244.338 2.078 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1ccns1 ZINC000858578110 588968156 /nfs/dbraw/zinc/96/81/56/588968156.db2.gz XCEGCHMCNTYGTF-GUBZILKMSA-N 1 0 221.329 2.486 20 30 BEEDRO CC#Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000899328472 584197645 /nfs/dbraw/zinc/19/76/45/584197645.db2.gz SOHGAVIWQKNAGI-KGLIPLIRSA-N 1 0 224.307 2.361 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CCC)CC1CC1 ZINC000899937152 584258523 /nfs/dbraw/zinc/25/85/23/584258523.db2.gz CRYWPZXZGHPHIT-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000900005000 584263472 /nfs/dbraw/zinc/26/34/72/584263472.db2.gz VXJCQILPJJZABU-NXEZZACHSA-N 1 0 223.320 2.147 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000900005003 584263796 /nfs/dbraw/zinc/26/37/96/584263796.db2.gz VXJCQILPJJZABU-ZJUUUORDSA-N 1 0 223.320 2.147 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009727 584264958 /nfs/dbraw/zinc/26/49/58/584264958.db2.gz JHJVIPMYBUOVGG-NXEZZACHSA-N 1 0 221.304 2.249 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000900119645 584275017 /nfs/dbraw/zinc/27/50/17/584275017.db2.gz QCMCHLRIVNBKQE-LBPRGKRZSA-N 1 0 240.391 2.387 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000900122076 584275246 /nfs/dbraw/zinc/27/52/46/584275246.db2.gz IIVVLOCZCRBUIN-YPMHNXCESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCSCCNc1cc[nH+]c(CO)c1 ZINC000858623295 588971356 /nfs/dbraw/zinc/97/13/56/588971356.db2.gz HXCCQGAROLOPIK-UHFFFAOYSA-N 1 0 238.356 2.295 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)CC ZINC000900364472 584296527 /nfs/dbraw/zinc/29/65/27/584296527.db2.gz HSTCRVDAONCPBJ-CMPLNLGQSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1Cc2ccccc2C1 ZINC000900598378 584330233 /nfs/dbraw/zinc/33/02/33/584330233.db2.gz UNDMDIXDXHLZPG-UHFFFAOYSA-N 1 0 244.338 2.037 20 30 BEEDRO C#CCCCCCCn1cc(C(C)(C)[NH2+]C)nn1 ZINC000900642615 584332384 /nfs/dbraw/zinc/33/23/84/584332384.db2.gz IMELBRVTAJXKGA-UHFFFAOYSA-N 1 0 248.374 2.316 20 30 BEEDRO C=C1CCC(C(=O)NCCCC[NH+](C)C)CC1 ZINC000900688244 584341493 /nfs/dbraw/zinc/34/14/93/584341493.db2.gz FHZALEDRWKYAER-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)C[C@@H]1CC ZINC000900910150 584364730 /nfs/dbraw/zinc/36/47/30/584364730.db2.gz ZAEBPOZWKFDMEN-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC1(CCC)CC1 ZINC000901048005 584378748 /nfs/dbraw/zinc/37/87/48/584378748.db2.gz KGDRIYWBFLFYBR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)c(O)c1 ZINC000901067256 584380937 /nfs/dbraw/zinc/38/09/37/584380937.db2.gz KKUBKWIGSQOEJB-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO CCNN=C1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000901279581 584414196 /nfs/dbraw/zinc/41/41/96/584414196.db2.gz VCQPMFSYMRHHBJ-ZDUSSCGKSA-N 1 0 245.370 2.494 20 30 BEEDRO CC1(C)CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)O1 ZINC000901682488 584480600 /nfs/dbraw/zinc/48/06/00/584480600.db2.gz DSRGPKSJCIYYIS-STQMWFEESA-N 1 0 249.358 2.367 20 30 BEEDRO C=CC[N@@H+](CCOC1CCOCC1)C(C)C ZINC000859081750 588998961 /nfs/dbraw/zinc/99/89/61/588998961.db2.gz JFFVCFAHPFWMEM-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448151 584604590 /nfs/dbraw/zinc/60/45/90/584604590.db2.gz CZRQPZJNUTXJLS-RISCZKNCSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1NC ZINC000902457940 584610105 /nfs/dbraw/zinc/61/01/05/584610105.db2.gz VRSFWOPRUGDBNE-GFCCVEGCSA-N 1 0 234.343 2.003 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000902490289 584628281 /nfs/dbraw/zinc/62/82/81/584628281.db2.gz MGZUEJCWFNSTGJ-DTWKUNHWSA-N 1 0 225.361 2.416 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)ccc1NC ZINC000902626599 584645657 /nfs/dbraw/zinc/64/56/57/584645657.db2.gz HRFUUTRUVLDHTC-CQSZACIVSA-N 1 0 246.354 2.165 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CC[C@H](C)C1=O ZINC000902669495 584654083 /nfs/dbraw/zinc/65/40/83/584654083.db2.gz NHWRYQQUILLVRI-LBPRGKRZSA-N 1 0 224.348 2.100 20 30 BEEDRO CC(C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720409 584659620 /nfs/dbraw/zinc/65/96/20/584659620.db2.gz HYVSWBBTTKZGOS-SNVBAGLBSA-N 1 0 203.289 2.260 20 30 BEEDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(C#N)ccn1 ZINC000902727722 584661553 /nfs/dbraw/zinc/66/15/53/584661553.db2.gz BEGIZVBOZVYSTJ-NXEZZACHSA-N 1 0 215.300 2.402 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H](C)CO)[C@]1(C)CCCCO1 ZINC000902763164 584663668 /nfs/dbraw/zinc/66/36/68/584663668.db2.gz UTMMWRCDQCDZAA-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(C#N)ccn1 ZINC000902766948 584666851 /nfs/dbraw/zinc/66/68/51/584666851.db2.gz VEMGULOABFNYLP-JFGNBEQYSA-N 1 0 215.300 2.260 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902778893 584669642 /nfs/dbraw/zinc/66/96/42/584669642.db2.gz HUVDRQIMGMINJM-AAEUAGOBSA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(C#N)ccn1 ZINC000902802693 584671188 /nfs/dbraw/zinc/67/11/88/584671188.db2.gz QTZMOTMQEHYJEO-BXUZGUMPSA-N 1 0 245.326 2.030 20 30 BEEDRO CCCn1cc([C@@H](C)[NH2+]CCCCC#N)nn1 ZINC000902790008 584672692 /nfs/dbraw/zinc/67/26/92/584672692.db2.gz LWNYNNACIKKHSW-LLVKDONJSA-N 1 0 235.335 2.033 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1cccc(C#N)c1 ZINC000902791892 584673592 /nfs/dbraw/zinc/67/35/92/584673592.db2.gz ZIYVLKFNFMOTAU-GJZGRUSLSA-N 1 0 243.354 2.303 20 30 BEEDRO COC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902819512 584675658 /nfs/dbraw/zinc/67/56/58/584675658.db2.gz VKQQDXVSYXOHPI-BXUZGUMPSA-N 1 0 247.342 2.275 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)[C@@H]1CCOC1 ZINC000902820091 584675683 /nfs/dbraw/zinc/67/56/83/584675683.db2.gz OLEJKSPETYOLRS-NTZNESFSSA-N 1 0 245.326 2.029 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902837157 584679131 /nfs/dbraw/zinc/67/91/31/584679131.db2.gz TUMPOLZFTXCTOF-VHSXEESVSA-N 1 0 201.273 2.178 20 30 BEEDRO C[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cc(C#N)ccn1 ZINC000902839447 584680028 /nfs/dbraw/zinc/68/00/28/584680028.db2.gz REKKZQRXIKOPQG-RISCZKNCSA-N 1 0 245.326 2.173 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902868019 584683163 /nfs/dbraw/zinc/68/31/63/584683163.db2.gz IMAUKZHEHPUMMD-QEHJDLSMSA-N 1 0 221.344 2.354 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902872422 584684122 /nfs/dbraw/zinc/68/41/22/584684122.db2.gz GVPPZBAQRXOMFH-ONGXEEELSA-N 1 0 233.340 2.109 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902895129 584690859 /nfs/dbraw/zinc/69/08/59/584690859.db2.gz USDJMLHYNUUCIF-YIYPIFLZSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902946275 584696596 /nfs/dbraw/zinc/69/65/96/584696596.db2.gz ZVINLPZHZDFGNB-CLLJXQQHSA-N 1 0 209.333 2.357 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902965954 584701650 /nfs/dbraw/zinc/70/16/50/584701650.db2.gz AZIMXVLTKODGKC-HBNTYKKESA-N 1 0 233.315 2.027 20 30 BEEDRO C[C@H]([NH2+]CC[C@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902951977 584704555 /nfs/dbraw/zinc/70/45/55/584704555.db2.gz RTGZBQACMRQPBB-RYUDHWBXSA-N 1 0 245.326 2.030 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902978970 584708134 /nfs/dbraw/zinc/70/81/34/584708134.db2.gz MZANDKXDWBKYJJ-QSLWVIQJSA-N 1 0 246.354 2.083 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902995294 584710302 /nfs/dbraw/zinc/71/03/02/584710302.db2.gz AZIMXVLTKODGKC-GMTAPVOTSA-N 1 0 233.315 2.027 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903016374 584713062 /nfs/dbraw/zinc/71/30/62/584713062.db2.gz JNMIBZGFTKWWDC-WCFLWFBJSA-N 1 0 245.326 2.171 20 30 BEEDRO CCC[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)OC ZINC000903002369 584716026 /nfs/dbraw/zinc/71/60/26/584716026.db2.gz AEDAIOFMENDCJH-DGCLKSJQSA-N 1 0 247.342 2.419 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCCO)c1cc(C#N)ccn1 ZINC000903006573 584717076 /nfs/dbraw/zinc/71/70/76/584717076.db2.gz KYJCMWLHEJQKGL-NWDGAFQWSA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@](C)(C[NH2+][C@@H](C)c1cc(C#N)ccn1)OC ZINC000903008067 584717391 /nfs/dbraw/zinc/71/73/91/584717391.db2.gz LIODERPJUFKISE-SMDDNHRTSA-N 1 0 247.342 2.419 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCOC1 ZINC000903035332 584718898 /nfs/dbraw/zinc/71/88/98/584718898.db2.gz NJWMINVWQHBHQR-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)C1CCOCC1 ZINC000903100004 584726882 /nfs/dbraw/zinc/72/68/82/584726882.db2.gz FUNXPJUTMZOVFD-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO COC[C@H]([NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000903106843 584728336 /nfs/dbraw/zinc/72/83/36/584728336.db2.gz WRMLZPDOHFJOAW-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000903129364 584730079 /nfs/dbraw/zinc/73/00/79/584730079.db2.gz UMQLUWOZTNXUGJ-UTUOFQBUSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903218452 584737783 /nfs/dbraw/zinc/73/77/83/584737783.db2.gz LYROZVJQWSBMMT-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903219835 584737912 /nfs/dbraw/zinc/73/79/12/584737912.db2.gz KAZWVWDOBJUHMJ-MROQNXINSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCN1C ZINC000903325369 584746381 /nfs/dbraw/zinc/74/63/81/584746381.db2.gz YMUJLUSMINFPRL-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C#N)c(F)c1 ZINC000903324484 584747240 /nfs/dbraw/zinc/74/72/40/584747240.db2.gz UVKSIODPTITYJA-MFKMUULPSA-N 1 0 247.317 2.052 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(C#N)c(F)c1 ZINC000903324483 584747394 /nfs/dbraw/zinc/74/73/94/584747394.db2.gz UVKSIODPTITYJA-GXFFZTMASA-N 1 0 247.317 2.052 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCN1C ZINC000903317030 584749976 /nfs/dbraw/zinc/74/99/76/584749976.db2.gz IFTADSJHYYGTDL-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)CN1CCOCC1 ZINC000903344094 584752635 /nfs/dbraw/zinc/75/26/35/584752635.db2.gz UJFNEUKGGNZGIE-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@@H]([NH2+]C1CC(CCO)C1)c1ccc(C#N)cc1 ZINC000903328666 584753596 /nfs/dbraw/zinc/75/35/96/584753596.db2.gz CUXKEDBPGQUKAE-NUYPLMSZSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H]([NH2+]C1CC(CCO)C1)c1cccc(C#N)c1 ZINC000903328992 584753911 /nfs/dbraw/zinc/75/39/11/584753911.db2.gz IAVOLBCMDQAVRT-BZUNDVKYSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000903392963 584756096 /nfs/dbraw/zinc/75/60/96/584756096.db2.gz CGIUVNBANSUPOM-WKPIXPDZSA-N 1 0 242.322 2.170 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(CC)C1=O ZINC000903392747 584756160 /nfs/dbraw/zinc/75/61/60/584756160.db2.gz YITBQMQFOSAAGG-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000903392961 584756184 /nfs/dbraw/zinc/75/61/84/584756184.db2.gz CGIUVNBANSUPOM-ONERCXAPSA-N 1 0 242.322 2.170 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000903395887 584756863 /nfs/dbraw/zinc/75/68/63/584756863.db2.gz OBEYGUQCGOTRJE-ISTVAULSSA-N 1 0 248.301 2.383 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(C#N)cc1F ZINC000903395604 584756894 /nfs/dbraw/zinc/75/68/94/584756894.db2.gz MSGHPQNSTCHYLQ-BHDSKKPTSA-N 1 0 248.301 2.383 20 30 BEEDRO C[C@](CN)([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000903426807 584760839 /nfs/dbraw/zinc/76/08/39/584760839.db2.gz OKMUTAYIUJOIHO-ORHYLEIMSA-N 1 0 235.375 2.033 20 30 BEEDRO N#Cc1cc(Cl)cc(CN2CCC[C@H]([NH3+])C2)c1 ZINC000903420950 584764094 /nfs/dbraw/zinc/76/40/94/584764094.db2.gz HNQZQDBOBRIYBS-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO CN(Cc1cc(Cl)cc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000903423098 584764307 /nfs/dbraw/zinc/76/43/07/584764307.db2.gz PISDTUUAVIZHAA-ZDUSSCGKSA-N 1 0 249.745 2.005 20 30 BEEDRO C[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CN ZINC000903424964 584765510 /nfs/dbraw/zinc/76/55/10/584765510.db2.gz NKOSWRPKSHUWKU-XSCHDIRWSA-N 1 0 249.402 2.376 20 30 BEEDRO N#CC1CCC(CN2CC[C@H]3[NH2+]CC[C@H]3C2)CC1 ZINC000903452656 584773062 /nfs/dbraw/zinc/77/30/62/584773062.db2.gz PJWYBBZOLARTHO-PFSRBDOWSA-N 1 0 247.386 2.000 20 30 BEEDRO N#CC1CCC(CN2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000903476200 584777351 /nfs/dbraw/zinc/77/73/51/584777351.db2.gz QDWPZDUMQGPMGF-PFSRBDOWSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CC1(CCCCN2CC3CC2(C[NH3+])C3)CCC1 ZINC000903766087 584797631 /nfs/dbraw/zinc/79/76/31/584797631.db2.gz OFEMDBMIJWQYBG-UHFFFAOYSA-N 1 0 247.386 2.274 20 30 BEEDRO C[C@H]1C[C@@H]([NH3+])CN1CCCCC1(C#N)CCC1 ZINC000903779457 584799668 /nfs/dbraw/zinc/79/96/68/584799668.db2.gz ZXORAFZQQXTEFK-QWHCGFSZSA-N 1 0 235.375 2.272 20 30 BEEDRO C=CCCCN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903800101 584801737 /nfs/dbraw/zinc/80/17/37/584801737.db2.gz UJCXPYFWUOEZOJ-CHWSQXEVSA-N 1 0 208.349 2.156 20 30 BEEDRO C=CCC(C)(C)c1noc(CCCC[NH2+]C)n1 ZINC000904120911 584842440 /nfs/dbraw/zinc/84/24/40/584842440.db2.gz FWIXSLXNUAHWCQ-UHFFFAOYSA-N 1 0 237.347 2.465 20 30 BEEDRO C=CCCc1noc(C(C)(C)[C@H]([NH3+])C(C)C)n1 ZINC000904123834 584842790 /nfs/dbraw/zinc/84/27/90/584842790.db2.gz QZWHPPUJYPRZKL-LLVKDONJSA-N 1 0 237.347 2.449 20 30 BEEDRO CCCCN(O)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000904212549 584854784 /nfs/dbraw/zinc/85/47/84/584854784.db2.gz GVWFVQLQAPCZFM-GFCCVEGCSA-N 1 0 242.363 2.269 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000877070946 584889621 /nfs/dbraw/zinc/88/96/21/584889621.db2.gz ZMGBDPIRPNXYDJ-OAHLLOKOSA-N 1 0 231.339 2.247 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCCCCO ZINC000877136852 584890944 /nfs/dbraw/zinc/89/09/44/584890944.db2.gz ACVDMZQVGHICBW-GFCCVEGCSA-N 1 0 212.337 2.069 20 30 BEEDRO CCC(CC)CN[NH+]=C(C)c1ccc(N)nc1 ZINC000814906516 584900391 /nfs/dbraw/zinc/90/03/91/584900391.db2.gz YCIIKUWYLQZMOA-UHFFFAOYSA-N 1 0 234.347 2.414 20 30 BEEDRO C#CCN[NH+]=C(CC)c1ccc(N(C)C)cc1 ZINC000835007654 584917750 /nfs/dbraw/zinc/91/77/50/584917750.db2.gz BGCJVPDFYDYODI-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO C=CCO[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000835013301 584918251 /nfs/dbraw/zinc/91/82/51/584918251.db2.gz PZZQCKYBVFWOPT-UHFFFAOYSA-N 1 0 231.299 2.218 20 30 BEEDRO C=CCON=C(C)C[NH+]1CCCCCC1 ZINC000835013837 584918456 /nfs/dbraw/zinc/91/84/56/584918456.db2.gz ZAJMKJFCDATDFL-UHFFFAOYSA-N 1 0 210.321 2.441 20 30 BEEDRO CC(=[NH+]OC[C@@H]1CCOC1)c1ccc(N)cc1 ZINC000788032495 584921683 /nfs/dbraw/zinc/92/16/83/584921683.db2.gz AYUYPXFXVYFMCC-LLVKDONJSA-N 1 0 234.299 2.046 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@H](C#N)C2)o1 ZINC000765937164 584938593 /nfs/dbraw/zinc/93/85/93/584938593.db2.gz BFFFZTXGKOBXLF-RWMBFGLXSA-N 1 0 248.326 2.293 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H](CO)C2CC2)c1 ZINC000734161038 584959107 /nfs/dbraw/zinc/95/91/07/584959107.db2.gz LDEKNEGBANNKMK-OAHLLOKOSA-N 1 0 247.338 2.112 20 30 BEEDRO CC(=NOCCOC(C)C)C1CC[NH+](C)CC1 ZINC000814936895 584969707 /nfs/dbraw/zinc/96/97/07/584969707.db2.gz NOYFMTHXVPMIMV-UHFFFAOYSA-N 1 0 242.363 2.146 20 30 BEEDRO Cc1ccc(N=NC2C[N@H+](C3CC3)C[C@H]2C)nc1 ZINC000755889545 584996021 /nfs/dbraw/zinc/99/60/21/584996021.db2.gz MHCITCZHJUPECV-LLVKDONJSA-N 1 0 244.342 2.272 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)n(C)n1 ZINC000840788093 585031997 /nfs/dbraw/zinc/03/19/97/585031997.db2.gz VVHLRBSVNQHEOS-LLVKDONJSA-N 1 0 234.347 2.319 20 30 BEEDRO C=C(Cl)C[NH2+]CC(C)(C)CC(=O)OCC ZINC000838988118 585084791 /nfs/dbraw/zinc/08/47/91/585084791.db2.gz GJLMLLHSGOXCRD-UHFFFAOYSA-N 1 0 233.739 2.308 20 30 BEEDRO C=CCC[N@@H+](C)CC(C)(C)CC(=O)OCC ZINC000839034649 585088784 /nfs/dbraw/zinc/08/87/84/585088784.db2.gz RETFEKDWPLIMPI-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C#CCC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000839070043 585089666 /nfs/dbraw/zinc/08/96/66/585089666.db2.gz IAHYQFSTJOFCDU-ZDUSSCGKSA-N 1 0 223.360 2.177 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@H](C)C(C)(C)C ZINC000839189003 585097099 /nfs/dbraw/zinc/09/70/99/585097099.db2.gz MQIBMTKSCGGFGM-NWDGAFQWSA-N 1 0 209.333 2.003 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@H]1CCC=CO1 ZINC000839162507 585098005 /nfs/dbraw/zinc/09/80/05/585098005.db2.gz ALVZHZHHQMWVLB-LLVKDONJSA-N 1 0 208.305 2.209 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N=NCC(F)F)CC1 ZINC000740617475 585104386 /nfs/dbraw/zinc/10/43/86/585104386.db2.gz ACJPCDXIGHBHLB-UHFFFAOYSA-N 1 0 233.306 2.091 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(n2cccn2)CC1 ZINC000839487949 585105106 /nfs/dbraw/zinc/10/51/06/585105106.db2.gz NUMIEZTXAAEJIS-LBPRGKRZSA-N 1 0 232.331 2.212 20 30 BEEDRO C=CCCOC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000741019588 585109153 /nfs/dbraw/zinc/10/91/53/585109153.db2.gz WHWDOXJPNJWMGI-UTUOFQBUSA-N 1 0 225.332 2.367 20 30 BEEDRO C[C@@H](C(=O)OCCCC#N)[NH+]1CCCCCC1 ZINC000741029188 585109506 /nfs/dbraw/zinc/10/95/06/585109506.db2.gz MPLQMLPNYHHSJG-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO C[C@H](C(=O)OCCCC#N)[NH+]1CCCCCC1 ZINC000741029187 585109595 /nfs/dbraw/zinc/10/95/95/585109595.db2.gz MPLQMLPNYHHSJG-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO Cc1ccc(N=NC2CC[N@H+](C)[C@@H](C)C2)nc1 ZINC000741463584 585114267 /nfs/dbraw/zinc/11/42/67/585114267.db2.gz HBGSKAIMYXTEHI-NSHDSACASA-N 1 0 232.331 2.272 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000886364115 585134410 /nfs/dbraw/zinc/13/44/10/585134410.db2.gz PEENYMJONAAFPV-CABCVRRESA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCSC(C)C)C1 ZINC000886364110 585134577 /nfs/dbraw/zinc/13/45/77/585134577.db2.gz OUYPFZAYUIXPLK-LBPRGKRZSA-N 1 0 211.374 2.473 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000886364116 585134587 /nfs/dbraw/zinc/13/45/87/585134587.db2.gz PEENYMJONAAFPV-GJZGRUSLSA-N 1 0 235.371 2.273 20 30 BEEDRO C[C@H]([NH2+]Cc1cncnc1)c1cccc(C#N)c1 ZINC000743495451 585137387 /nfs/dbraw/zinc/13/73/87/585137387.db2.gz FONDIOOJBJIFHQ-NSHDSACASA-N 1 0 238.294 2.199 20 30 BEEDRO C#CCN(CC#CC)Cc1cc(C)ccc1OC ZINC000743852292 585140588 /nfs/dbraw/zinc/14/05/88/585140588.db2.gz KQDYUNORTPJPFK-UHFFFAOYSA-N 1 0 241.334 2.462 20 30 BEEDRO C=C(Cl)C[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000839527843 585142021 /nfs/dbraw/zinc/14/20/21/585142021.db2.gz SVHWITKVALUVEP-CMPLNLGQSA-N 1 0 245.750 2.450 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886667483 585172497 /nfs/dbraw/zinc/17/24/97/585172497.db2.gz BJOCQHZPLQUYGT-FQUUOJAGSA-N 1 0 241.375 2.107 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CCC=C)C2CC2)C1 ZINC000886661592 585172536 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/nfs/dbraw/zinc/33/11/05/585331105.db2.gz UPWUHSWPURTQNZ-LLVKDONJSA-N 1 0 217.740 2.366 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCC[C@H]1C(=O)OCC ZINC000839615067 585332348 /nfs/dbraw/zinc/33/23/48/585332348.db2.gz RZJPCAQVFUDHGL-MNOVXSKESA-N 1 0 245.750 2.450 20 30 BEEDRO C#CCCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000839629330 585332814 /nfs/dbraw/zinc/33/28/14/585332814.db2.gz PKPZMNFDWPMSQI-CABCVRRESA-N 1 0 229.323 2.302 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCNc2ccccc2)o1 ZINC000757685292 585344131 /nfs/dbraw/zinc/34/41/31/585344131.db2.gz MSMGSMCJZWUQGB-UHFFFAOYSA-N 1 0 241.294 2.353 20 30 BEEDRO CC(=[NH+]N[C@H](C)CC#N)c1ccc(N)cc1C ZINC000758120021 585349428 /nfs/dbraw/zinc/34/94/28/585349428.db2.gz QDRQXUCZTGORSM-SNVBAGLBSA-N 1 0 230.315 2.193 20 30 BEEDRO FC(F)(F)CC[NH+]1CCC(=NNC2CC2)CC1 ZINC000758125363 585349721 /nfs/dbraw/zinc/34/97/21/585349721.db2.gz DBKZHUWPLCFCCT-UHFFFAOYSA-N 1 0 249.280 2.143 20 30 BEEDRO C#CCN(C)Cc1ncccc1C(F)(F)F ZINC000759559581 585375187 /nfs/dbraw/zinc/37/51/87/585375187.db2.gz UDLKXCOUSVLUPC-UHFFFAOYSA-N 1 0 228.217 2.165 20 30 BEEDRO C#CCC[N@H+](Cc1ccccn1)C(C)C ZINC000760816491 585397842 /nfs/dbraw/zinc/39/78/42/585397842.db2.gz GJFXULLMRCYGJY-UHFFFAOYSA-N 1 0 202.301 2.315 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1c1cc(C)no1 ZINC000760819757 585398001 /nfs/dbraw/zinc/39/80/01/585398001.db2.gz VSHLDLQOKFXSOY-LLVKDONJSA-N 1 0 204.273 2.143 20 30 BEEDRO C#CCC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000760815431 585398013 /nfs/dbraw/zinc/39/80/13/585398013.db2.gz AWEGPCDNUYSBAH-GASCZTMLSA-N 1 0 240.350 2.078 20 30 BEEDRO C#CCC[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000760830186 585398181 /nfs/dbraw/zinc/39/81/81/585398181.db2.gz KYENHZXHRQWEFV-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000760847704 585399845 /nfs/dbraw/zinc/39/98/45/585399845.db2.gz ORMDPMZGIQRCNF-LBPRGKRZSA-N 1 0 217.312 2.278 20 30 BEEDRO C#CCCN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000760857495 585400175 /nfs/dbraw/zinc/40/01/75/585400175.db2.gz QBIKOGFOAUOABO-KFWWJZLASA-N 1 0 234.387 2.347 20 30 BEEDRO C#CCC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000760864306 585400441 /nfs/dbraw/zinc/40/04/41/585400441.db2.gz ZOZJLSVCFSHVRR-HNNXBMFYSA-N 1 0 239.322 2.237 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)C[N@@H+]1C ZINC000761795073 585418715 /nfs/dbraw/zinc/41/87/15/585418715.db2.gz WGFPRDYTFBWHPO-VIFPVBQESA-N 1 0 248.286 2.087 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC000761792506 585418741 /nfs/dbraw/zinc/41/87/41/585418741.db2.gz LGBDKNUXCGYCLR-SECBINFHSA-N 1 0 248.286 2.087 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc(C#N)c2)C[N@@H+]1C ZINC000761803381 585418832 /nfs/dbraw/zinc/41/88/32/585418832.db2.gz AKXVKELWMUKPCD-SNVBAGLBSA-N 1 0 228.299 2.050 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc(F)c2)C[N@@H+]1C ZINC000761811809 585419302 /nfs/dbraw/zinc/41/93/02/585419302.db2.gz IPSLFXKDXAREGY-SECBINFHSA-N 1 0 221.279 2.318 20 30 BEEDRO C=CCCC(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000762585233 585434163 /nfs/dbraw/zinc/43/41/63/585434163.db2.gz XDVWWJSBSWIEOU-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C(C)C ZINC000763396757 585447551 /nfs/dbraw/zinc/44/75/51/585447551.db2.gz FBKBRXFGPOFZOC-OAHLLOKOSA-N 1 0 244.338 2.488 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)cc1 ZINC000763901823 585456502 /nfs/dbraw/zinc/45/65/02/585456502.db2.gz PEOUUFMPUJLNGT-UHFFFAOYSA-N 1 0 218.300 2.051 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1 ZINC000763901967 585456864 /nfs/dbraw/zinc/45/68/64/585456864.db2.gz RTTJUTNOTANSLF-UHFFFAOYSA-N 1 0 240.253 2.021 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)ccc1OC ZINC000763904043 585456934 /nfs/dbraw/zinc/45/69/34/585456934.db2.gz RPEGGSFUAQXGCX-UHFFFAOYSA-N 1 0 248.326 2.060 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000764074867 585459461 /nfs/dbraw/zinc/45/94/61/585459461.db2.gz KCXUKIFVWPGMAG-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)CCCC ZINC000764152309 585461042 /nfs/dbraw/zinc/46/10/42/585461042.db2.gz QLISQPLNEKJKJZ-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)c1cc(C)cc(C)c1 ZINC000764416476 585465132 /nfs/dbraw/zinc/46/51/32/585465132.db2.gz KEZBZCHIOAKKED-UHFFFAOYSA-N 1 0 246.354 2.384 20 30 BEEDRO CC#CCCOC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000765480925 585487803 /nfs/dbraw/zinc/48/78/03/585487803.db2.gz LTLGJGKLEMMKBY-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO c1ccc(CNN=C2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765562813 585489779 /nfs/dbraw/zinc/48/97/79/585489779.db2.gz JRVDTFGDKVFMIK-AWEZNQCLSA-N 1 0 229.327 2.000 20 30 BEEDRO CCNC(NCc1cscc1Cl)=[NH+]CC ZINC000887323579 585492957 /nfs/dbraw/zinc/49/29/57/585492957.db2.gz ADNGXCXJBZBPLU-UHFFFAOYSA-N 1 0 245.779 2.477 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOc2cccnc2)C1 ZINC000765924567 585493732 /nfs/dbraw/zinc/49/37/32/585493732.db2.gz AHXNNIMDCGKRNV-CHWSQXEVSA-N 1 0 245.326 2.132 20 30 BEEDRO FC(F)(F)C1CCC(=[NH+]n2cnnc2)CC1 ZINC000766009743 585495664 /nfs/dbraw/zinc/49/56/64/585495664.db2.gz NMZXGSNMLDWKOZ-UHFFFAOYSA-N 1 0 232.209 2.235 20 30 BEEDRO CC(C)[C@@H]1CC(=NNC(N)=[NH2+])c2ccccc21 ZINC000766435102 585502460 /nfs/dbraw/zinc/50/24/60/585502460.db2.gz YJAGLTNXKXXOLL-NSHDSACASA-N 1 0 230.315 2.017 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000766665556 585504669 /nfs/dbraw/zinc/50/46/69/585504669.db2.gz ITWSAIVSIGMSHC-VIFPVBQESA-N 1 0 249.264 2.226 20 30 BEEDRO C#CCCC[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000766894234 585509279 /nfs/dbraw/zinc/50/92/79/585509279.db2.gz ASHFTXUNBHSSDX-ZDUSSCGKSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCC[N@@H+](C)CCN(C)c1ccccc1 ZINC000766900214 585509879 /nfs/dbraw/zinc/50/98/79/585509879.db2.gz JROLGJPDTYLWJX-UHFFFAOYSA-N 1 0 230.355 2.468 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000766900440 585510177 /nfs/dbraw/zinc/51/01/77/585510177.db2.gz DILJQBWHSATWJB-GFCCVEGCSA-N 1 0 203.285 2.482 20 30 BEEDRO C#CCCC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000766919009 585511427 /nfs/dbraw/zinc/51/14/27/585511427.db2.gz ARUIZNLTZKOZBZ-UHFFFAOYSA-N 1 0 244.338 2.407 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000766930256 585512054 /nfs/dbraw/zinc/51/20/54/585512054.db2.gz DBFJKYZUEZUUHS-CYBMUJFWSA-N 1 0 231.343 2.143 20 30 BEEDRO C[N@H+](CCC(=O)C1CC1)Cc1ccc(C#N)cc1 ZINC000767358400 585517975 /nfs/dbraw/zinc/51/79/75/585517975.db2.gz FVEVLUMMNKFENO-UHFFFAOYSA-N 1 0 242.322 2.359 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)c1occc1C ZINC000767777140 585526045 /nfs/dbraw/zinc/52/60/45/585526045.db2.gz UKGDVHQOJHUAPL-UHFFFAOYSA-N 1 0 249.358 2.388 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000767831326 585526551 /nfs/dbraw/zinc/52/65/51/585526551.db2.gz QEWZVPIPJLLPBN-HNNXBMFYSA-N 1 0 231.339 2.283 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2c(c1)COC2 ZINC000769111513 585549410 /nfs/dbraw/zinc/54/94/10/585549410.db2.gz QBFYSSFQHCTQIS-UHFFFAOYSA-N 1 0 215.296 2.172 20 30 BEEDRO N#CC1CCN(Cc2coc(C3CC3)n2)CC1 ZINC000769192103 585550905 /nfs/dbraw/zinc/55/09/05/585550905.db2.gz CUHNCJPKTORBGU-UHFFFAOYSA-N 1 0 231.299 2.288 20 30 BEEDRO CC(C)[NH2+][C@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000769233889 585551459 /nfs/dbraw/zinc/55/14/59/585551459.db2.gz TZADNNXFFXFMLN-LBPRGKRZSA-N 1 0 247.342 2.114 20 30 BEEDRO CC(C)OCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000769531500 585558808 /nfs/dbraw/zinc/55/88/08/585558808.db2.gz BXTDIRLJMGNQSS-UHFFFAOYSA-N 1 0 238.356 2.477 20 30 BEEDRO C=CC[N@@H+](CCO[C@@H]1CCCCO1)C(C)C ZINC000769711761 585562316 /nfs/dbraw/zinc/56/23/16/585562316.db2.gz XVOYHNUPRSNKJJ-CYBMUJFWSA-N 1 0 227.348 2.426 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CCO)C1CC1 ZINC000769796261 585563712 /nfs/dbraw/zinc/56/37/12/585563712.db2.gz OJGNFKIUXWLPEZ-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CC[N@@H+](C)CCc1ccccc1CC ZINC000769800069 585563846 /nfs/dbraw/zinc/56/38/46/585563846.db2.gz JHYHFJIZETZBPW-UHFFFAOYSA-N 1 0 201.313 2.357 20 30 BEEDRO CC(CCCC[NH+](C)C)=NNCC(F)(F)F ZINC000769808389 585564265 /nfs/dbraw/zinc/56/42/65/585564265.db2.gz OEZSNSVHGJVOKE-UHFFFAOYSA-N 1 0 239.285 2.246 20 30 BEEDRO C[C@](O)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000769845171 585565335 /nfs/dbraw/zinc/56/53/35/585565335.db2.gz ADSSIVQIFWHHFZ-YUELXQCFSA-N 1 0 244.338 2.176 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000769945223 585566805 /nfs/dbraw/zinc/56/68/05/585566805.db2.gz RLIKTPYNNNOPEE-RISCZKNCSA-N 1 0 242.322 2.403 20 30 BEEDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000769945697 585566851 /nfs/dbraw/zinc/56/68/51/585566851.db2.gz SCPMFQXORSBNLI-WCQYABFASA-N 1 0 230.311 2.483 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000769960641 585567443 /nfs/dbraw/zinc/56/74/43/585567443.db2.gz GADGRKWTIHBLBQ-ZDUSSCGKSA-N 1 0 242.322 2.281 20 30 BEEDRO C#CCC(C)(C)C(=O)OCC[NH+]1CCCCC1 ZINC000770416336 585574095 /nfs/dbraw/zinc/57/40/95/585574095.db2.gz BDTKGSFVAUURIO-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000770663445 585579411 /nfs/dbraw/zinc/57/94/11/585579411.db2.gz DQKSVVHQFJTNFZ-UHFFFAOYSA-N 1 0 241.338 2.421 20 30 BEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C\C1CC1 ZINC000770803406 585581872 /nfs/dbraw/zinc/58/18/72/585581872.db2.gz KSSLZSXXKCIRQF-BSYHEUMXSA-N 1 0 249.354 2.230 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030910 585629812 /nfs/dbraw/zinc/62/98/12/585629812.db2.gz YIJIOQJJEANBHD-ZJUUUORDSA-N 1 0 236.290 2.210 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](C)c1ccccc1 ZINC000774087830 585650202 /nfs/dbraw/zinc/65/02/02/585650202.db2.gz CGGAGKWXOHYXIA-LBPRGKRZSA-N 1 0 246.354 2.024 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000774212473 585654037 /nfs/dbraw/zinc/65/40/37/585654037.db2.gz KJBGPHADAAIDEB-SNVBAGLBSA-N 1 0 235.283 2.130 20 30 BEEDRO C[N@@H+]1CCCC(=NOC2CCCC2)CC1 ZINC000774603112 585661869 /nfs/dbraw/zinc/66/18/69/585661869.db2.gz MGLQCNDRUDRKDR-UHFFFAOYSA-N 1 0 210.321 2.417 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000775055126 585671393 /nfs/dbraw/zinc/67/13/93/585671393.db2.gz PZXKVOPHRIQCFZ-ZDUSSCGKSA-N 1 0 220.316 2.305 20 30 BEEDRO CC[C@H]([NH2+]CC#CCOC)c1ccccc1OC ZINC000775065313 585671597 /nfs/dbraw/zinc/67/15/97/585671597.db2.gz CXXBOKYFDRYVNY-AWEZNQCLSA-N 1 0 247.338 2.386 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)c(F)c1)[C@@H]1CCCO1 ZINC000775340229 585675852 /nfs/dbraw/zinc/67/58/52/585675852.db2.gz GELTWWZZOLFMFT-CABCVRRESA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1C)[C@H]1CCCO1 ZINC000775340869 585676330 /nfs/dbraw/zinc/67/63/30/585676330.db2.gz ISWAQVBBUXRLDG-HUUCEWRRSA-N 1 0 229.323 2.265 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000775567384 585679791 /nfs/dbraw/zinc/67/97/91/585679791.db2.gz HCCPEDUZBXTJIM-LBPRGKRZSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000775567383 585679859 /nfs/dbraw/zinc/67/98/59/585679859.db2.gz HCCPEDUZBXTJIM-GFCCVEGCSA-N 1 0 230.311 2.169 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@@H]1CCCO1 ZINC000775572389 585680242 /nfs/dbraw/zinc/68/02/42/585680242.db2.gz ALQBMWKTAVARLQ-JYJNAYRXSA-N 1 0 241.334 2.444 20 30 BEEDRO C#CCCC[NH2+][C@](C)(CC(=O)OCC)C(C)C ZINC000775894366 585687191 /nfs/dbraw/zinc/68/71/91/585687191.db2.gz FUQSMWRXWQHZTK-CQSZACIVSA-N 1 0 239.359 2.357 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000776592518 585702187 /nfs/dbraw/zinc/70/21/87/585702187.db2.gz IMSFEAFSPXEKRU-HZPDHXFCSA-N 1 0 248.414 2.454 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CCOCC[C@H]1C ZINC000776798701 585705593 /nfs/dbraw/zinc/70/55/93/585705593.db2.gz MQQNHGQFMJSINI-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO C[N@@H+]1CCCC(=NOCCC(F)(F)F)CC1 ZINC000777460609 585713134 /nfs/dbraw/zinc/71/31/34/585713134.db2.gz QJHALLNUGODSSL-UHFFFAOYSA-N 1 0 238.253 2.427 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000778230140 585728474 /nfs/dbraw/zinc/72/84/74/585728474.db2.gz DZXUBQNKUOWZKP-ZDUSSCGKSA-N 1 0 223.291 2.367 20 30 BEEDRO C=CCCCOC(=O)C(C)(C)[NH+]1CCCC1 ZINC000805615241 585741030 /nfs/dbraw/zinc/74/10/30/585741030.db2.gz RLNHQVAFCNYSEY-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000779188162 585746822 /nfs/dbraw/zinc/74/68/22/585746822.db2.gz GWMFCPYQBDPSPQ-UHFFFAOYSA-N 1 0 218.344 2.366 20 30 BEEDRO C[C@H](CCO)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000779411030 585753803 /nfs/dbraw/zinc/75/38/03/585753803.db2.gz CMUVSNMJBKLMGG-OCCSQVGLSA-N 1 0 232.327 2.392 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H](C)c1ccccc1 ZINC000779792301 585763792 /nfs/dbraw/zinc/76/37/92/585763792.db2.gz KTABVFKPDPSTCZ-QWRGUYRKSA-N 1 0 244.342 2.103 20 30 BEEDRO CCCC[C@@H]1CCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779792484 585763989 /nfs/dbraw/zinc/76/39/89/585763989.db2.gz SFJOKALVGOYQFL-GHMZBOCLSA-N 1 0 236.363 2.270 20 30 BEEDRO CC[C@@H]1C[C@H](C)CCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779793215 585763992 /nfs/dbraw/zinc/76/39/92/585763992.db2.gz XUONFGHEXSGEBD-OUAUKWLOSA-N 1 0 236.363 2.126 20 30 BEEDRO C[C@@H]1CNC(NN=CC2CCC(C)(C)CC2)=[NH+]1 ZINC000779793830 585764155 /nfs/dbraw/zinc/76/41/55/585764155.db2.gz APXYWAGXCINYOO-SNVBAGLBSA-N 1 0 236.363 2.126 20 30 BEEDRO CCOc1cccc(C=NNc2ccncc2)c1 ZINC000779811708 585766389 /nfs/dbraw/zinc/76/63/89/585766389.db2.gz REROLYNIPQGQPP-UHFFFAOYSA-N 1 0 241.294 2.348 20 30 BEEDRO Cc1[nH]cnc1C=NNc1ccc2n[nH]cc2c1 ZINC000779820879 585767138 /nfs/dbraw/zinc/76/71/38/585767138.db2.gz PFKFSEFVHYNUCE-UHFFFAOYSA-N 1 0 240.270 2.040 20 30 BEEDRO CC(=[NH+]N[C@H]1CCCOC1)c1ccc(N)cc1C ZINC000780261743 585775758 /nfs/dbraw/zinc/77/57/58/585775758.db2.gz KWKWLCXYUBEXTD-ZDUSSCGKSA-N 1 0 247.342 2.070 20 30 BEEDRO CC(C)[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CC1 ZINC000783300460 585833346 /nfs/dbraw/zinc/83/33/46/585833346.db2.gz MMDAUPNGQQYNFQ-CQSZACIVSA-N 1 0 229.327 2.477 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805746679 585835713 /nfs/dbraw/zinc/83/57/13/585835713.db2.gz FQZAFOYFDNXFHL-CYBMUJFWSA-N 1 0 200.285 2.242 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H](C)c1ccc(F)cc1 ZINC000783569167 585837078 /nfs/dbraw/zinc/83/70/78/585837078.db2.gz DJPQUXZTMQRIDA-CYBMUJFWSA-N 1 0 229.298 2.498 20 30 BEEDRO CC1(C)CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C1 ZINC000783863902 585845150 /nfs/dbraw/zinc/84/51/50/585845150.db2.gz SHNVRAWHPRMZTP-TXEJJXNPSA-N 1 0 248.374 2.413 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000784570438 585863807 /nfs/dbraw/zinc/86/38/07/585863807.db2.gz KJPFCPOZTKNKAH-UHFFFAOYSA-N 1 0 245.351 2.437 20 30 BEEDRO C=CCCCOC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785728927 585879080 /nfs/dbraw/zinc/87/90/80/585879080.db2.gz JMEDMHFLOFFVQM-TXEJJXNPSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCCN(C)CN1C(=O)C[C@@H]1c1ccccc1 ZINC000786102330 585887274 /nfs/dbraw/zinc/88/72/74/585887274.db2.gz NFHSACXWIXVKSO-CQSZACIVSA-N 1 0 244.338 2.425 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC12CCCC2)[C@H]1CCCO1 ZINC000788979425 585932789 /nfs/dbraw/zinc/93/27/89/585932789.db2.gz GHUZIPONCAGWKA-BFHYXJOUSA-N 1 0 233.355 2.480 20 30 BEEDRO CCCCOc1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000788992412 585932974 /nfs/dbraw/zinc/93/29/74/585932974.db2.gz ZLCJFNAFDAMZDA-UHFFFAOYSA-N 1 0 248.330 2.073 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](OCC)C1CC1 ZINC000859281367 589026784 /nfs/dbraw/zinc/02/67/84/589026784.db2.gz UHIBFPZPSODUGU-GFCCVEGCSA-N 1 0 209.333 2.145 20 30 BEEDRO CC1=C[C@@H](C)C[C@@H](C=[NH+]n2cnnc2)C1 ZINC000789639142 585947545 /nfs/dbraw/zinc/94/75/45/585947545.db2.gz IEAYOSGRDUSFHD-MWLCHTKSSA-N 1 0 204.277 2.104 20 30 BEEDRO C=CCC[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000789804259 585949798 /nfs/dbraw/zinc/94/97/98/585949798.db2.gz LAPXSMISUUOMJH-VXGBXAGGSA-N 1 0 227.348 2.471 20 30 BEEDRO CC[C@H](C)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000790191242 585961015 /nfs/dbraw/zinc/96/10/15/585961015.db2.gz VHVHOQXQBFMXHC-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[N@H+](C(C)C)[C@@H]1CCCN(C(C)C)C1=O ZINC000790265845 585962105 /nfs/dbraw/zinc/96/21/05/585962105.db2.gz JBVQJYFCNIZAGK-CYBMUJFWSA-N 1 0 238.375 2.282 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000859280136 589027205 /nfs/dbraw/zinc/02/72/05/589027205.db2.gz GJXRVVJQXWWNIG-LBPRGKRZSA-N 1 0 212.296 2.320 20 30 BEEDRO C=CCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792549237 586002356 /nfs/dbraw/zinc/00/23/56/586002356.db2.gz BENQJJOEGFVRDL-UHFFFAOYSA-N 1 0 216.240 2.067 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792923978 586007197 /nfs/dbraw/zinc/00/71/97/586007197.db2.gz VZQPZMMBFVGJFT-QWHCGFSZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1nncn1C ZINC000793528492 586021522 /nfs/dbraw/zinc/02/15/22/586021522.db2.gz YHKYAPLXQXHWNJ-GFCCVEGCSA-N 1 0 236.363 2.430 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(C)C1 ZINC000793527968 586021885 /nfs/dbraw/zinc/02/18/85/586021885.db2.gz QYWANPJXHMLAEH-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CC1(CO)COC1 ZINC000793545876 586022386 /nfs/dbraw/zinc/02/23/86/586022386.db2.gz DMQBZGJLTNCKCC-CYBMUJFWSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@H]1CC(=NNCCC(F)(F)F)CN1C1CC1 ZINC000794548570 586043744 /nfs/dbraw/zinc/04/37/44/586043744.db2.gz TVAGRSXYFNVKPO-QMMMGPOBSA-N 1 0 249.280 2.141 20 30 BEEDRO C#CCCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000794607737 586045186 /nfs/dbraw/zinc/04/51/86/586045186.db2.gz DVMQXLFGGOXOTA-WDEREUQCSA-N 1 0 213.271 2.377 20 30 BEEDRO Fc1ccc(/C=C\C=[NH+]n2cnnc2)cc1F ZINC000794856348 586051843 /nfs/dbraw/zinc/05/18/43/586051843.db2.gz IKZIYLKHSBPXMO-IAISRDLUSA-N 1 0 234.209 2.104 20 30 BEEDRO C#CCCC[N@H+]1CCN(C2CCC2)C[C@@H](C)C1 ZINC000795123002 586068987 /nfs/dbraw/zinc/06/89/87/586068987.db2.gz UEVVUHIXPAUGPX-AWEZNQCLSA-N 1 0 234.387 2.206 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC=C(c2ccco2)C1 ZINC000796121414 586097697 /nfs/dbraw/zinc/09/76/97/586097697.db2.gz KUKCVRYFZPRMLZ-GFCCVEGCSA-N 1 0 246.310 2.297 20 30 BEEDRO C#CCCC[N@@H+](CCC)CCN1CCCC1 ZINC000796379270 586101979 /nfs/dbraw/zinc/10/19/79/586101979.db2.gz MCSOQRQBNIBQES-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@](C)(OC)CC1 ZINC000796508642 586105287 /nfs/dbraw/zinc/10/52/87/586105287.db2.gz JDZGNJLGIBPJOE-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CC[N@@H+](CCC(=O)C1CC1)Cc1ccccc1 ZINC000796639041 586108771 /nfs/dbraw/zinc/10/87/71/586108771.db2.gz LANVNGXAMUECMK-UHFFFAOYSA-N 1 0 241.334 2.491 20 30 BEEDRO CCCCCC[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000797082214 586119801 /nfs/dbraw/zinc/11/98/01/586119801.db2.gz DFLPXLKYQNHPPI-LBPRGKRZSA-N 1 0 249.362 2.098 20 30 BEEDRO CCOc1cccc(C[NH2+]CC2(C#N)CC2)c1O ZINC000797605338 586129561 /nfs/dbraw/zinc/12/95/61/586129561.db2.gz NNZBSNAKQAOVKE-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO C=CCCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798837583 586151059 /nfs/dbraw/zinc/15/10/59/586151059.db2.gz XRRISOQWWCBLBY-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798851560 586151688 /nfs/dbraw/zinc/15/16/88/586151688.db2.gz CBXRCJUZZVUZOA-WDEREUQCSA-N 1 0 213.321 2.080 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799190597 586166227 /nfs/dbraw/zinc/16/62/27/586166227.db2.gz RMFHSUHAQIAJQC-LBPRGKRZSA-N 1 0 202.301 2.447 20 30 BEEDRO CCCCCCC[N@H+](CC)[C@H]1CCNC1=O ZINC000799354376 586173487 /nfs/dbraw/zinc/17/34/87/586173487.db2.gz QXAUPASXEFXYNG-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000799717878 586193777 /nfs/dbraw/zinc/19/37/77/586193777.db2.gz VSSCWGQHPJXTAH-VNHYZAJKSA-N 1 0 244.338 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000799716185 586194282 /nfs/dbraw/zinc/19/42/82/586194282.db2.gz MOBVGYJJCDYSAM-BNOWGMLFSA-N 1 0 230.311 2.002 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000799717876 586194398 /nfs/dbraw/zinc/19/43/98/586194398.db2.gz VSSCWGQHPJXTAH-KCQAQPDRSA-N 1 0 244.338 2.310 20 30 BEEDRO CCOC(CC[NH2+][C@@H]1CC[C@H](C#N)C1)OCC ZINC000799724748 586194836 /nfs/dbraw/zinc/19/48/36/586194836.db2.gz IIAZPSDSLBXQEA-NWDGAFQWSA-N 1 0 240.347 2.057 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCCCCO)C1 ZINC000859444564 589036911 /nfs/dbraw/zinc/03/69/11/589036911.db2.gz SZVFMEPVLFHPNC-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCCCCO)C1 ZINC000859444565 589037361 /nfs/dbraw/zinc/03/73/61/589037361.db2.gz SZVFMEPVLFHPNC-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCC(=O)C2CC2)C1 ZINC000859446354 589037770 /nfs/dbraw/zinc/03/77/70/589037770.db2.gz XYOHPSXCEGYFPZ-NSHDSACASA-N 1 0 207.317 2.254 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000859445930 589037882 /nfs/dbraw/zinc/03/78/82/589037882.db2.gz RQEKJUCTCARGOQ-STQMWFEESA-N 1 0 239.359 2.426 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000859445394 589037928 /nfs/dbraw/zinc/03/79/28/589037928.db2.gz HZJLEVVHEAXAKA-GFCCVEGCSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801568250 586264113 /nfs/dbraw/zinc/26/41/13/586264113.db2.gz PUWRSXHYYQDQLC-NXEZZACHSA-N 1 0 219.275 2.307 20 30 BEEDRO CC(C)[N@H+](CCO[C@H](C)C#N)Cc1ccco1 ZINC000801913812 586276883 /nfs/dbraw/zinc/27/68/83/586276883.db2.gz NBIFSJHPBKSWQC-GFCCVEGCSA-N 1 0 236.315 2.419 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000801930025 586278504 /nfs/dbraw/zinc/27/85/04/586278504.db2.gz BZUXLPQXZQKCAX-DGCLKSJQSA-N 1 0 233.315 2.080 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000801938364 586280094 /nfs/dbraw/zinc/28/00/94/586280094.db2.gz FSVWXOKVMCQJDA-RYUDHWBXSA-N 1 0 224.348 2.283 20 30 BEEDRO CC(C)[N@H+](CCO[C@@H](C)C#N)CC1CCC1 ZINC000801950916 586282631 /nfs/dbraw/zinc/28/26/31/586282631.db2.gz QEJPBZZALWJXBE-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[NH+]2CC(C)C2)cc1 ZINC000802651548 586307657 /nfs/dbraw/zinc/30/76/57/586307657.db2.gz QJVBJLWCVSLSTI-LBPRGKRZSA-N 1 0 230.311 2.429 20 30 BEEDRO C=CC1CC[NH+](CN2CCC(C)(C)C2=O)CC1 ZINC000839992366 586334558 /nfs/dbraw/zinc/33/45/58/586334558.db2.gz IKTULZBWNJSLAI-UHFFFAOYSA-N 1 0 236.359 2.100 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@H]3CCC[C@H]3C2=O)CC1 ZINC000839992459 586334780 /nfs/dbraw/zinc/33/47/80/586334780.db2.gz JHVLLOVSMIDSQS-ZIAGYGMSSA-N 1 0 248.370 2.100 20 30 BEEDRO C=C(C)CCOC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000803487331 586360766 /nfs/dbraw/zinc/36/07/66/586360766.db2.gz CXPDMOIOLDZWLQ-TXEJJXNPSA-N 1 0 225.332 2.369 20 30 BEEDRO CC[C@@H](C#N)OC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803855584 586377513 /nfs/dbraw/zinc/37/75/13/586377513.db2.gz JFSAFJIMDLCHCS-RYUDHWBXSA-N 1 0 238.331 2.096 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)nc1 ZINC000806161843 586406804 /nfs/dbraw/zinc/40/68/04/586406804.db2.gz UWRBOJQJOHFWRV-KGLIPLIRSA-N 1 0 227.311 2.231 20 30 BEEDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)CC#N)c1 ZINC000809571760 586507243 /nfs/dbraw/zinc/50/72/43/586507243.db2.gz BHAVFNJGAFQDHW-CABCVRRESA-N 1 0 244.338 2.407 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1 ZINC000809568982 586507358 /nfs/dbraw/zinc/50/73/58/586507358.db2.gz JWHKGUBPVMTBEW-CYBMUJFWSA-N 1 0 231.339 2.259 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)CC2(C)C)cc1 ZINC000809578602 586508194 /nfs/dbraw/zinc/50/81/94/586508194.db2.gz OIKVNUDPKFILIB-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN(C)CCCC)cc1 ZINC000809617564 586509239 /nfs/dbraw/zinc/50/92/39/586509239.db2.gz RROQKMJSSPWGJC-UHFFFAOYSA-N 1 0 244.382 2.489 20 30 BEEDRO C#Cc1ccc(CNCC[N@@H+](C)[C@H](C)CC)cc1 ZINC000809613134 586509265 /nfs/dbraw/zinc/50/92/65/586509265.db2.gz LQRPBGTWQHEPSE-CQSZACIVSA-N 1 0 244.382 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000809623414 586509523 /nfs/dbraw/zinc/50/95/23/586509523.db2.gz VMUNFKFJFOFHFY-UHFFFAOYSA-N 1 0 242.347 2.457 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000809638281 586510368 /nfs/dbraw/zinc/51/03/68/586510368.db2.gz FCGILFCNTBTLKY-HNNXBMFYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)cc(OC)nc1C)C(C)C ZINC000809685515 586512319 /nfs/dbraw/zinc/51/23/19/586512319.db2.gz XXGZXZXYPHVDQY-AWEZNQCLSA-N 1 0 246.354 2.454 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(OCC)ccc1O ZINC000809686049 586512713 /nfs/dbraw/zinc/51/27/13/586512713.db2.gz JSMDMMOCPDZETA-GFCCVEGCSA-N 1 0 233.311 2.292 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(OCC)ccc1O ZINC000809686050 586512770 /nfs/dbraw/zinc/51/27/70/586512770.db2.gz JSMDMMOCPDZETA-LBPRGKRZSA-N 1 0 233.311 2.292 20 30 BEEDRO C=C[C@H](C)OC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810700405 586544959 /nfs/dbraw/zinc/54/49/59/586544959.db2.gz FYROHTNXIHCMMK-GXFFZTMASA-N 1 0 243.322 2.317 20 30 BEEDRO CC#CCCCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810838510 586547817 /nfs/dbraw/zinc/54/78/17/586547817.db2.gz QBGUUAZHULOAMH-UONOGXRCSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CCCCCC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839751 586548030 /nfs/dbraw/zinc/54/80/30/586548030.db2.gz XQTJAYKIYLSHQZ-KBPBESRZSA-N 1 0 249.354 2.350 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1 ZINC000811515834 586560213 /nfs/dbraw/zinc/56/02/13/586560213.db2.gz JDHVLTQCKWWRMH-HNNXBMFYSA-N 1 0 231.339 2.165 20 30 BEEDRO CC(C)[N@H+]1CC(=NOC/C=C/Cl)[C@H](C)C1 ZINC000811670731 586565331 /nfs/dbraw/zinc/56/53/31/586565331.db2.gz APBRZUABKCFBMI-KPCYIQHWSA-N 1 0 230.739 2.472 20 30 BEEDRO CC[N@@H+]1CCC(=NOC2CCC2)[C@H](C)C1 ZINC000812235299 586571473 /nfs/dbraw/zinc/57/14/73/586571473.db2.gz RLZOPQAQSRCDLR-SNVBAGLBSA-N 1 0 210.321 2.273 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NOC2CCC2)C1 ZINC000812235587 586571486 /nfs/dbraw/zinc/57/14/86/586571486.db2.gz YOLHJLPQOMAKRY-LLVKDONJSA-N 1 0 210.321 2.416 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)cc1 ZINC000812777969 586584106 /nfs/dbraw/zinc/58/41/06/586584106.db2.gz COUJOLXKHYMACE-CQSZACIVSA-N 1 0 229.323 2.013 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CC)[C@@H]2CCOC2)cc1 ZINC000812780429 586584232 /nfs/dbraw/zinc/58/42/32/586584232.db2.gz DPEKMCZBXATMJV-OAHLLOKOSA-N 1 0 229.323 2.279 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000812835146 586587803 /nfs/dbraw/zinc/58/78/03/586587803.db2.gz NPIQQAOEGWTTMR-QXSJWSMHSA-N 1 0 241.334 2.313 20 30 BEEDRO CC#CC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000812850118 586588060 /nfs/dbraw/zinc/58/80/60/586588060.db2.gz LLOULODFLOTVJG-UKRRQHHQSA-N 1 0 231.339 2.454 20 30 BEEDRO Cc1nc(NCC[N@H+]2CCC[C@@H]2C)ccc1C#N ZINC000813595388 586604011 /nfs/dbraw/zinc/60/40/11/586604011.db2.gz WDLACBFZPNDZIQ-NSHDSACASA-N 1 0 244.342 2.158 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2snnc2C)cc1 ZINC000814175578 586615431 /nfs/dbraw/zinc/61/54/31/586615431.db2.gz WPTGXQHZMNQLHJ-UHFFFAOYSA-N 1 0 243.335 2.118 20 30 BEEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CF)cc1 ZINC000814299451 586620966 /nfs/dbraw/zinc/62/09/66/586620966.db2.gz MQQVCZXCNKGWHG-WDEREUQCSA-N 1 0 236.290 2.425 20 30 BEEDRO CCCNN=C(C)c1ccc(C[NH+](C)C)cc1 ZINC000814804488 586635782 /nfs/dbraw/zinc/63/57/82/586635782.db2.gz RDEYZBVNKGYWOH-UHFFFAOYSA-N 1 0 233.359 2.472 20 30 BEEDRO CCC(=NNCC[NH+]1CCCCC1)c1ccco1 ZINC000814808067 586636241 /nfs/dbraw/zinc/63/62/41/586636241.db2.gz AOUGDKRCOYWWNV-UHFFFAOYSA-N 1 0 249.358 2.469 20 30 BEEDRO C(=NNc1ccnc2ccccc21)c1cocn1 ZINC000814841549 586638012 /nfs/dbraw/zinc/63/80/12/586638012.db2.gz QYKRQCNGQWRVKQ-UHFFFAOYSA-N 1 0 238.250 2.091 20 30 BEEDRO C=CCC1([NH2+]Cc2cnon2)CCCCC1 ZINC000859745032 589058204 /nfs/dbraw/zinc/05/82/04/589058204.db2.gz KYJKGFUWIRJWHW-UHFFFAOYSA-N 1 0 221.304 2.438 20 30 BEEDRO COCCCO[NH+]=C1CCCc2ccc(N)cc21 ZINC000814931558 586653250 /nfs/dbraw/zinc/65/32/50/586653250.db2.gz XOZBNXLPEFLYRQ-UHFFFAOYSA-N 1 0 248.326 2.362 20 30 BEEDRO CC(=[NH+]NCC1CCCC1)c1ccc(N)nc1 ZINC000814933257 586653761 /nfs/dbraw/zinc/65/37/61/586653761.db2.gz JEICSVXIQMDANA-UHFFFAOYSA-N 1 0 232.331 2.168 20 30 BEEDRO C=C(C)CN[NH+]=C1CCCc2ccc(N)cc21 ZINC000814932818 586653786 /nfs/dbraw/zinc/65/37/86/586653786.db2.gz UEFQULFIMYNPSS-UHFFFAOYSA-N 1 0 229.327 2.475 20 30 BEEDRO CC(=NOC/C=C\Cl)C1CC[NH+](C)CC1 ZINC000814934055 586654197 /nfs/dbraw/zinc/65/41/97/586654197.db2.gz JUJUUHXTBSSOPW-ZROOZSOLSA-N 1 0 230.739 2.473 20 30 BEEDRO CC[C@@H](C)CON=C1CCCc2nc(N)ncc21 ZINC000814939490 586655388 /nfs/dbraw/zinc/65/53/88/586655388.db2.gz SBHHUVSQBFYTMH-SECBINFHSA-N 1 0 248.330 2.162 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC000815044511 586664628 /nfs/dbraw/zinc/66/46/28/586664628.db2.gz CXGBDOSKMMQUHS-GXTWGEPZSA-N 1 0 244.342 2.212 20 30 BEEDRO N#CCCOCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000815069400 586665207 /nfs/dbraw/zinc/66/52/07/586665207.db2.gz UBMVCVIZCAPFDQ-UHFFFAOYSA-N 1 0 248.301 2.335 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000815229278 586674909 /nfs/dbraw/zinc/67/49/09/586674909.db2.gz BNRWDRBZDSSOSZ-CQSZACIVSA-N 1 0 223.360 2.130 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000815233210 586675186 /nfs/dbraw/zinc/67/51/86/586675186.db2.gz CUQVXFWNEFCMLA-LBPRGKRZSA-N 1 0 231.767 2.469 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000815284335 586677294 /nfs/dbraw/zinc/67/72/94/586677294.db2.gz PSNMETPMKAFXAF-AWEZNQCLSA-N 1 0 235.302 2.123 20 30 BEEDRO C=CC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817583728 586812632 /nfs/dbraw/zinc/81/26/32/586812632.db2.gz HQJIIXIECWYCGT-GFCCVEGCSA-N 1 0 202.301 2.105 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000818345000 586887093 /nfs/dbraw/zinc/88/70/93/586887093.db2.gz RYOZJTIZMKXSLF-WDEREUQCSA-N 1 0 236.363 2.297 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1nn(CC)nc1C)C1CC1 ZINC000818345953 586887152 /nfs/dbraw/zinc/88/71/52/586887152.db2.gz YTBLGSFCYNXHAM-ZDUSSCGKSA-N 1 0 248.374 2.441 20 30 BEEDRO CCCCCC[C@H](O)C[NH2+]C[C@H](C)C#N ZINC000819046721 586926735 /nfs/dbraw/zinc/92/67/35/586926735.db2.gz CCFQCJHCNGGEIT-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819157787 586934132 /nfs/dbraw/zinc/93/41/32/586934132.db2.gz WIFDMZKZIXCFEU-OAHLLOKOSA-N 1 0 231.339 2.422 20 30 BEEDRO COc1cccc2[nH]cc(CC[NH2+]CCC#N)c21 ZINC000819213763 586939256 /nfs/dbraw/zinc/93/92/56/586939256.db2.gz LOWINNRKOFBJRE-UHFFFAOYSA-N 1 0 243.310 2.222 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000819214735 586939360 /nfs/dbraw/zinc/93/93/60/586939360.db2.gz WYFBAJQUTKVAHS-CQSZACIVSA-N 1 0 235.302 2.171 20 30 BEEDRO C=CCOCC[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819217860 586939647 /nfs/dbraw/zinc/93/96/47/586939647.db2.gz HDNGYDPGTMFVQN-OAHLLOKOSA-N 1 0 249.354 2.129 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819283648 586947772 /nfs/dbraw/zinc/94/77/72/586947772.db2.gz LUSPZNPNPPTPMT-DGCLKSJQSA-N 1 0 238.306 2.198 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819344150 586955381 /nfs/dbraw/zinc/95/53/81/586955381.db2.gz WVRLPAUVHXGSLN-AEGPPILISA-N 1 0 244.338 2.392 20 30 BEEDRO C[C@H](N=NC1CCC[N@H+](C)CC1)c1ccncc1 ZINC000819815758 586998779 /nfs/dbraw/zinc/99/87/79/586998779.db2.gz CPOQBOZZYFJTQQ-LBPRGKRZSA-N 1 0 246.358 2.204 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc(OC)no1 ZINC000820821179 587075127 /nfs/dbraw/zinc/07/51/27/587075127.db2.gz CWEBAJBTIRRDDR-SNVBAGLBSA-N 1 0 222.288 2.137 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)Cc1ccccc1)C(C)C ZINC000822582768 587176011 /nfs/dbraw/zinc/17/60/11/587176011.db2.gz HPYWHHXCGPMKCB-HNNXBMFYSA-N 1 0 233.355 2.486 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCC(C)(C)C1 ZINC000822790206 587185976 /nfs/dbraw/zinc/18/59/76/587185976.db2.gz FHUOXVPJWLJGKY-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000823134183 587205010 /nfs/dbraw/zinc/20/50/10/587205010.db2.gz WERZQSKBQQFYAY-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H](C)[C@H](C)[NH3+])n1 ZINC000823248287 587211506 /nfs/dbraw/zinc/21/15/06/587211506.db2.gz NWXZIFGRBRLYSL-BDAKNGLRSA-N 1 0 223.320 2.374 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000823247951 587211560 /nfs/dbraw/zinc/21/15/60/587211560.db2.gz MAVLWLSVOBVSDF-IINYFYTJSA-N 1 0 247.342 2.390 20 30 BEEDRO C=CCCc1noc([C@H]2CC[NH2+][C@@H]2CC)n1 ZINC000823264404 587212122 /nfs/dbraw/zinc/21/21/22/587212122.db2.gz SHLYGTDKLUJJGY-VHSXEESVSA-N 1 0 221.304 2.044 20 30 BEEDRO C#CCC[N@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000823503824 587228081 /nfs/dbraw/zinc/22/80/81/587228081.db2.gz YRZXWDRBVSVZRI-AWEZNQCLSA-N 1 0 237.343 2.063 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H](CCO)C2CC2)CC1 ZINC000823932247 587246093 /nfs/dbraw/zinc/24/60/93/587246093.db2.gz YBSPERHCPYSBKR-ROKHWSDSSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCN(Cc1cn(C2CCC2)nn1)C(C)C ZINC000824580886 587277442 /nfs/dbraw/zinc/27/74/42/587277442.db2.gz KZJWUOUPXMTEAU-UHFFFAOYSA-N 1 0 234.347 2.400 20 30 BEEDRO C=C(C)CC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000824743838 587285389 /nfs/dbraw/zinc/28/53/89/587285389.db2.gz OVGOXTVIXCUKLP-UHFFFAOYSA-N 1 0 239.359 2.476 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000824750904 587285776 /nfs/dbraw/zinc/28/57/76/587285776.db2.gz POYBUQLMVDHEBY-VIFPVBQESA-N 1 0 226.345 2.252 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000824953847 587294576 /nfs/dbraw/zinc/29/45/76/587294576.db2.gz MGQPJVGBXYSNPY-OCCSQVGLSA-N 1 0 233.311 2.215 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000824953139 587294750 /nfs/dbraw/zinc/29/47/50/587294750.db2.gz HXBXKCZHLYRLJD-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccnc1Cl ZINC000825168796 587307191 /nfs/dbraw/zinc/30/71/91/587307191.db2.gz OUUMWHHECRDTBW-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)CCOC)c1 ZINC000825225894 587310355 /nfs/dbraw/zinc/31/03/55/587310355.db2.gz BDCHMHWEPCWYGN-GFCCVEGCSA-N 1 0 217.312 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000825227674 587310471 /nfs/dbraw/zinc/31/04/71/587310471.db2.gz XNINODWLDHWVIC-HNNXBMFYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#CC[N@@H+](Cc1cc(COC)cs1)C1CC1 ZINC000825520208 587322570 /nfs/dbraw/zinc/32/25/70/587322570.db2.gz WKICJTMMSSHFNT-UHFFFAOYSA-N 1 0 235.352 2.492 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)COC)cc1 ZINC000825878343 587343398 /nfs/dbraw/zinc/34/33/98/587343398.db2.gz KBXCCLUJCCUJTP-OLZOCXBDSA-N 1 0 247.338 2.212 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC000825878241 587343520 /nfs/dbraw/zinc/34/35/20/587343520.db2.gz GQCXARBRDHNYQH-RYUDHWBXSA-N 1 0 239.359 2.356 20 30 BEEDRO Cc1cc(O)c(C[NH+]2CC(CC#N)C2)cc1C ZINC000826991014 587367283 /nfs/dbraw/zinc/36/72/83/587367283.db2.gz RPQSOUMDTIPGEV-UHFFFAOYSA-N 1 0 230.311 2.355 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)C1CCOCC1 ZINC000827555260 587387534 /nfs/dbraw/zinc/38/75/34/587387534.db2.gz QSWQMFDYZHHEJX-AUZPSNTRSA-N 1 0 221.344 2.049 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(CCC2)C1)C1CCOCC1 ZINC000827554422 587387764 /nfs/dbraw/zinc/38/77/64/587387764.db2.gz DMIIISUYWDNDJC-AWEZNQCLSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)C1CCC1)C1CCOCC1 ZINC000827558956 587388064 /nfs/dbraw/zinc/38/80/64/587388064.db2.gz BKQJVZLIKKRORD-BXUZGUMPSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]CC(CC)CC)C1CCOCC1 ZINC000827564786 587388443 /nfs/dbraw/zinc/38/84/43/587388443.db2.gz GGUJTVUQIJZACS-CQSZACIVSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]CC(C)(C)CCC#N)C1CCOCC1 ZINC000827571184 587389513 /nfs/dbraw/zinc/38/95/13/587389513.db2.gz VZPTWZCGQAVGJS-AWEZNQCLSA-N 1 0 248.370 2.334 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1F)C1CCOCC1 ZINC000827570265 587389625 /nfs/dbraw/zinc/38/96/25/587389625.db2.gz KJPZGWWLHITXRQ-OAHLLOKOSA-N 1 0 247.313 2.344 20 30 BEEDRO C#C[C@@H]([NH2+]CC12CCC(CC1)C2)[C@H]1CCCO1 ZINC000828952851 587475161 /nfs/dbraw/zinc/47/51/61/587475161.db2.gz CNXFBSYOGRUWGX-PIOWNMBXSA-N 1 0 233.355 2.337 20 30 BEEDRO C=CC[C@H]1[N@H+](CC[S@@](C)=O)CCCC1(C)C ZINC000829283978 587491106 /nfs/dbraw/zinc/49/11/06/587491106.db2.gz XAKXYRVMLWXHCL-MLGOLLRUSA-N 1 0 243.416 2.432 20 30 BEEDRO CC#CCC[N@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829378649 587494805 /nfs/dbraw/zinc/49/48/05/587494805.db2.gz YXWHMOHCLAAOQG-MRXNPFEDSA-N 1 0 243.350 2.166 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000829773520 587514974 /nfs/dbraw/zinc/51/49/74/587514974.db2.gz FJBYSQOAYHPZNH-NWDGAFQWSA-N 1 0 247.342 2.428 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000829778889 587515042 /nfs/dbraw/zinc/51/50/42/587515042.db2.gz JTRXSOJINDVPRE-CYBMUJFWSA-N 1 0 214.312 2.317 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)OCCC)C1 ZINC000829784904 587516285 /nfs/dbraw/zinc/51/62/85/587516285.db2.gz OBAWBBPJXLXTNY-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000829789133 587516653 /nfs/dbraw/zinc/51/66/53/587516653.db2.gz OLHVNMWCKMVAEF-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCN2CCC(C)CC2)C1 ZINC000829805995 587517984 /nfs/dbraw/zinc/51/79/84/587517984.db2.gz YXOYKKQDHVGNQB-MRXNPFEDSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000829810369 587518451 /nfs/dbraw/zinc/51/84/51/587518451.db2.gz OUPBPCLXBPIKJK-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCC2(O)CCC2)C1 ZINC000829815296 587519720 /nfs/dbraw/zinc/51/97/20/587519720.db2.gz JDYFIFOAJANXJY-ZDUSSCGKSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cncc(OC)c2)C1 ZINC000829815639 587519762 /nfs/dbraw/zinc/51/97/62/587519762.db2.gz QAUWXBCUZHRTHI-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000829821035 587520252 /nfs/dbraw/zinc/52/02/52/587520252.db2.gz LKXPOLKOVRXDRI-ZDUSSCGKSA-N 1 0 239.322 2.189 20 30 BEEDRO C#CC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000830321307 587545819 /nfs/dbraw/zinc/54/58/19/587545819.db2.gz GFYNPZWQOUZOJE-UHFFFAOYSA-N 1 0 245.370 2.399 20 30 BEEDRO C#CC1CC[NH+](CCN(C)c2ccccc2)CC1 ZINC000830329917 587546163 /nfs/dbraw/zinc/54/61/63/587546163.db2.gz LZNZXMDZYSXYID-UHFFFAOYSA-N 1 0 242.366 2.468 20 30 BEEDRO C#CC1CC[NH+](CCC(C)(C)OC)CC1 ZINC000830345732 587546779 /nfs/dbraw/zinc/54/67/79/587546779.db2.gz PYJITWZIPNBGST-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000830345737 587547159 /nfs/dbraw/zinc/54/71/59/587547159.db2.gz QPESMQPMOGFCBI-OAHLLOKOSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CCC[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830853971 587573901 /nfs/dbraw/zinc/57/39/01/587573901.db2.gz GEZLNNHZTJMZMF-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cccs1 ZINC000831678638 587627336 /nfs/dbraw/zinc/62/73/36/587627336.db2.gz DAIMVYWVKNDKHC-NEPJUHHUSA-N 1 0 223.341 2.224 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@](CO)(COC)C1 ZINC000832394449 587657637 /nfs/dbraw/zinc/65/76/37/587657637.db2.gz GYOKMIQONYEXKM-AWEZNQCLSA-N 1 0 243.391 2.288 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@H]1OCC ZINC000832569653 587666784 /nfs/dbraw/zinc/66/67/84/587666784.db2.gz HDPPYOJDJLTRMJ-NXEZZACHSA-N 1 0 248.164 2.442 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000832721140 587677744 /nfs/dbraw/zinc/67/77/44/587677744.db2.gz AMTBTORFRLUXCW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834888531 587769564 /nfs/dbraw/zinc/76/95/64/587769564.db2.gz NYHZJOAFJFTGTB-DYEKYZERSA-N 1 0 245.322 2.313 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000834903524 587770004 /nfs/dbraw/zinc/77/00/04/587770004.db2.gz QCAJWGMDMLOMSV-RYUDHWBXSA-N 1 0 217.312 2.181 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)c2ccnn2C)c1 ZINC000834904053 587770042 /nfs/dbraw/zinc/77/00/42/587770042.db2.gz VCBSJCPPLCYXLZ-GFCCVEGCSA-N 1 0 239.322 2.252 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)CCCCO)c1 ZINC000834902559 587770073 /nfs/dbraw/zinc/77/00/73/587770073.db2.gz JKASAXMHOXFKKD-CYBMUJFWSA-N 1 0 231.339 2.309 20 30 BEEDRO Fc1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834956638 587772414 /nfs/dbraw/zinc/77/24/14/587772414.db2.gz NUVMFLZRQLJURW-ZCFIWIBFSA-N 1 0 215.178 2.274 20 30 BEEDRO Fc1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834956632 587772537 /nfs/dbraw/zinc/77/25/37/587772537.db2.gz NUVMFLZRQLJURW-LURJTMIESA-N 1 0 215.178 2.274 20 30 BEEDRO Cc1nc(Cl)cc(NNC=C2CC2(F)F)[nH+]1 ZINC000834963813 587772929 /nfs/dbraw/zinc/77/29/29/587772929.db2.gz ZSUHIMSHFWGSMN-LURJTMIESA-N 1 0 246.648 2.491 20 30 BEEDRO Nc1ccc2c(c1)CCCC2=[NH+]NC1CC1 ZINC000834968040 587773846 /nfs/dbraw/zinc/77/38/46/587773846.db2.gz AMNKSHKFJNGGTP-UHFFFAOYSA-N 1 0 215.300 2.061 20 30 BEEDRO CC(=[NH+]N[C@H]1CCOC1(C)C)c1ccc(N)cc1 ZINC000835013664 587778085 /nfs/dbraw/zinc/77/80/85/587778085.db2.gz GEVRZFOKHANZGO-ZDUSSCGKSA-N 1 0 247.342 2.150 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000836232234 587829247 /nfs/dbraw/zinc/82/92/47/587829247.db2.gz QDRIRCZAMLSLLW-SFYZADRCSA-N 1 0 221.131 2.462 20 30 BEEDRO C=C(C)CCNC(=O)CCCC[NH+]1CCCC1 ZINC000836824700 587838994 /nfs/dbraw/zinc/83/89/94/587838994.db2.gz JIWMBBKSUVIQBK-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)C1CC(C)(C)C1 ZINC000840537493 587910304 /nfs/dbraw/zinc/91/03/04/587910304.db2.gz HCLDXBIFXLRXFP-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000840745734 587919520 /nfs/dbraw/zinc/91/95/20/587919520.db2.gz OLYUIFZOJWDNCB-NEPJUHHUSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000121496869 587949144 /nfs/dbraw/zinc/94/91/44/587949144.db2.gz FIUWUWBUMBGPCE-UHFFFAOYSA-N 1 0 219.284 2.230 20 30 BEEDRO C(CC[C@H]1CCO1)=[NH+]n1cnc2ccccc21 ZINC000841615626 587959964 /nfs/dbraw/zinc/95/99/64/587959964.db2.gz ADZDFVCTJUDUBL-NSHDSACASA-N 1 0 229.283 2.439 20 30 BEEDRO CCCCCCC[C@H](C)CNC(=O)NCC[NH3+] ZINC000841723252 587973257 /nfs/dbraw/zinc/97/32/57/587973257.db2.gz IRUDWQFGCSIEFW-LBPRGKRZSA-N 1 0 243.395 2.241 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2COC(C)(C)C2)c1 ZINC000841886394 587981387 /nfs/dbraw/zinc/98/13/87/587981387.db2.gz PQWAKVGPKPKULT-AWEZNQCLSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCCCCCCNC(=O)NCC[C@H](C)[NH3+] ZINC000841902800 587982800 /nfs/dbraw/zinc/98/28/00/587982800.db2.gz FKZNAXNQPWZUOS-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1C=[NH+]n1cnnc1 ZINC000842523142 588032612 /nfs/dbraw/zinc/03/26/12/588032612.db2.gz VELOWIQKTLLCGR-WDEREUQCSA-N 1 0 206.293 2.328 20 30 BEEDRO C=CCCO[C@@H](C)c1nc([C@H](C)C[NH2+]C)no1 ZINC000842584062 588044252 /nfs/dbraw/zinc/04/42/52/588044252.db2.gz ZBFMCDZOHBZVII-ZJUUUORDSA-N 1 0 239.319 2.046 20 30 BEEDRO C#CCCCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842640077 588048569 /nfs/dbraw/zinc/04/85/69/588048569.db2.gz UMQXNTILZYRIBR-NSHDSACASA-N 1 0 233.315 2.230 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000842847298 588069476 /nfs/dbraw/zinc/06/94/76/588069476.db2.gz WRPLTBRSFWHZTD-GFCCVEGCSA-N 1 0 231.343 2.283 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@H]([NH3+])C2CC2)n1 ZINC000843233839 588094089 /nfs/dbraw/zinc/09/40/89/588094089.db2.gz CFKQJDVCOSOMNJ-JTQLQIEISA-N 1 0 235.331 2.203 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@]2(C)CC[NH2+]C2)n1 ZINC000843234860 588094994 /nfs/dbraw/zinc/09/49/94/588094994.db2.gz KVQTZEVDOUAGDY-ZDUSSCGKSA-N 1 0 235.331 2.174 20 30 BEEDRO C=CCCc1noc(C[C@H](C)C2CC[NH2+]CC2)n1 ZINC000843238788 588095366 /nfs/dbraw/zinc/09/53/66/588095366.db2.gz ZIQDGOOMHIGPNI-NSHDSACASA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCCc1noc([C@@H]2CC23CC[NH2+]CC3)n1 ZINC000843238502 588095450 /nfs/dbraw/zinc/09/54/50/588095450.db2.gz SDXCGXMUGARBPZ-JTQLQIEISA-N 1 0 233.315 2.045 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnn(C=C)c2)C1 ZINC000843422917 588107647 /nfs/dbraw/zinc/10/76/47/588107647.db2.gz JFWYPTPAABCTLC-CYBMUJFWSA-N 1 0 229.327 2.219 20 30 BEEDRO C=CCCCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000844164859 588171469 /nfs/dbraw/zinc/17/14/69/588171469.db2.gz HEOUCVABXSRBPR-UHFFFAOYSA-N 1 0 246.354 2.160 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000844393326 588189513 /nfs/dbraw/zinc/18/95/13/588189513.db2.gz RCWBTQFVALFKDI-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000844402437 588190130 /nfs/dbraw/zinc/19/01/30/588190130.db2.gz RCWBTQFVALFKDI-ZIAGYGMSSA-N 1 0 243.391 2.429 20 30 BEEDRO C=C(C)CON=Cc1c[nH+]ccc1N(C)C ZINC000844618595 588208486 /nfs/dbraw/zinc/20/84/86/588208486.db2.gz XPQOKLIGMXCOEX-UHFFFAOYSA-N 1 0 219.288 2.074 20 30 BEEDRO C=C(C)CON=C(C)C1CC[NH+](C)CC1 ZINC000844619792 588208924 /nfs/dbraw/zinc/20/89/24/588208924.db2.gz LOSPQSQAOOCXSQ-UHFFFAOYSA-N 1 0 210.321 2.297 20 30 BEEDRO C=CCCCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@@H]1C ZINC000844642202 588212358 /nfs/dbraw/zinc/21/23/58/588212358.db2.gz HXRUUUZKJAQBTD-UPJWGTAASA-N 1 0 238.375 2.282 20 30 BEEDRO C#CCC[C@H](C)OC(=O)C[C@H](C)n1ccnc1 ZINC000845598539 588234765 /nfs/dbraw/zinc/23/47/65/588234765.db2.gz PDEFIWNVCZZIQO-RYUDHWBXSA-N 1 0 234.299 2.179 20 30 BEEDRO C=CCCCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845816306 588246220 /nfs/dbraw/zinc/24/62/20/588246220.db2.gz AGUVEISVFZCNRR-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCCCCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845817660 588246265 /nfs/dbraw/zinc/24/62/65/588246265.db2.gz JARSDTFLACCPRD-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCC(C)(C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845821719 588246351 /nfs/dbraw/zinc/24/63/51/588246351.db2.gz QXXFXJDKMVHLHZ-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000845971206 588251071 /nfs/dbraw/zinc/25/10/71/588251071.db2.gz YSDOPZRKLQIJLW-MNOVXSKESA-N 1 0 221.304 2.212 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000845954092 588251565 /nfs/dbraw/zinc/25/15/65/588251565.db2.gz LZIDWGKJFFLDNF-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC1(C#N)CCCC1 ZINC000846011784 588253326 /nfs/dbraw/zinc/25/33/26/588253326.db2.gz ZEUKOBGAYDKOMD-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010267 588253357 /nfs/dbraw/zinc/25/33/57/588253357.db2.gz HUVBDCKIJQXEME-TZMCWYRMSA-N 1 0 247.386 2.143 20 30 BEEDRO COc1cccc([C@H](C)[NH2+]CCCC#N)c1O ZINC000846161982 588258911 /nfs/dbraw/zinc/25/89/11/588258911.db2.gz DMUXVFOHOHYQFU-JTQLQIEISA-N 1 0 234.299 2.355 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000846170147 588259017 /nfs/dbraw/zinc/25/90/17/588259017.db2.gz LXTMKHXXXOFSDF-CABCVRRESA-N 1 0 236.403 2.500 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000846694834 588283036 /nfs/dbraw/zinc/28/30/36/588283036.db2.gz RIRXMMBJYCSPSV-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@@H](C)CC2(C)C)nn1 ZINC000846812046 588290563 /nfs/dbraw/zinc/29/05/63/588290563.db2.gz RPTNOZAOEBRTNS-LBPRGKRZSA-N 1 0 248.374 2.475 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(C)nc1 ZINC000846873615 588294736 /nfs/dbraw/zinc/29/47/36/588294736.db2.gz DBQHCRMYFDPVPJ-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000847019469 588301843 /nfs/dbraw/zinc/30/18/43/588301843.db2.gz QSFWQSWVXBEOKD-ZDUSSCGKSA-N 1 0 224.307 2.403 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000847019112 588301850 /nfs/dbraw/zinc/30/18/50/588301850.db2.gz ORUGZOOFHXBQSN-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000847018491 588302198 /nfs/dbraw/zinc/30/21/98/588302198.db2.gz KNGQEZJYRKCWLU-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000847022263 588302642 /nfs/dbraw/zinc/30/26/42/588302642.db2.gz SUOWJPGEIFLSGN-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCc2csc(C)n2)C1 ZINC000847021059 588302794 /nfs/dbraw/zinc/30/27/94/588302794.db2.gz IDZCEZYBQYXZPH-LBPRGKRZSA-N 1 0 234.368 2.339 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCOCCC(C)C)C1 ZINC000847023008 588303098 /nfs/dbraw/zinc/30/30/98/588303098.db2.gz KMQNYBLEZSUKEM-AWEZNQCLSA-N 1 0 223.360 2.394 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000847024775 588303488 /nfs/dbraw/zinc/30/34/88/588303488.db2.gz LBYDCSBRRUXZKB-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000847024709 588303673 /nfs/dbraw/zinc/30/36/73/588303673.db2.gz RRFFECDEFSXBJH-IUODEOHRSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000847024708 588303819 /nfs/dbraw/zinc/30/38/19/588303819.db2.gz RRFFECDEFSXBJH-DOMZBBRYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCCOC(C)C)C1 ZINC000847024777 588303885 /nfs/dbraw/zinc/30/38/85/588303885.db2.gz LBYDCSBRRUXZKB-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000847025514 588303934 /nfs/dbraw/zinc/30/39/34/588303934.db2.gz NPSRVVGYSYQEBU-NSHDSACASA-N 1 0 249.276 2.301 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847821604 588334138 /nfs/dbraw/zinc/33/41/38/588334138.db2.gz JGAAOEIEFNZFPH-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO c1ccc(N=NC2CCC[N@H+]3CCCC[C@@H]23)nc1 ZINC000848401052 588378296 /nfs/dbraw/zinc/37/82/96/588378296.db2.gz SMGPMGLNUPYIQU-ZDUSSCGKSA-N 1 0 244.342 2.498 20 30 BEEDRO FC(F)CON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848408435 588378870 /nfs/dbraw/zinc/37/88/70/588378870.db2.gz NLGVMNKRRMSTMU-JTQLQIEISA-N 1 0 232.274 2.272 20 30 BEEDRO FC(F)CON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848408436 588379128 /nfs/dbraw/zinc/37/91/28/588379128.db2.gz NLGVMNKRRMSTMU-SNVBAGLBSA-N 1 0 232.274 2.272 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)[C@@H]1CCCO1 ZINC000848545159 588393437 /nfs/dbraw/zinc/39/34/37/588393437.db2.gz AKNBGXBXZXYGIG-RNJOBUHISA-N 1 0 239.384 2.041 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848898859 588418011 /nfs/dbraw/zinc/41/80/11/588418011.db2.gz HZOIJHKXEXVUIT-GQYWMQPJSA-N 1 0 235.283 2.130 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000848923555 588421446 /nfs/dbraw/zinc/42/14/46/588421446.db2.gz NCEKGOPFDGJJJU-CYBMUJFWSA-N 1 0 245.370 2.483 20 30 BEEDRO C=CCNC(=[NH2+])NCCCCc1ccccc1 ZINC000848983242 588424718 /nfs/dbraw/zinc/42/47/18/588424718.db2.gz FBRRMOYMGDNCDY-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO CN1CCC[NH+]=C1NCCCCC(C)(C)C ZINC000849003099 588431410 /nfs/dbraw/zinc/43/14/10/588431410.db2.gz DJDBLEBXPWBGKC-UHFFFAOYSA-N 1 0 225.380 2.484 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+]CC1(C)CC1 ZINC000849003837 588431595 /nfs/dbraw/zinc/43/15/95/588431595.db2.gz JKXMIHDJCIEEAY-UHFFFAOYSA-N 1 0 245.370 2.494 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000849006729 588433122 /nfs/dbraw/zinc/43/31/22/588433122.db2.gz MLYBXLTUDMXZMV-UHFFFAOYSA-N 1 0 229.283 2.233 20 30 BEEDRO CN1CCC[NH+]=C1NCCCc1cccc(F)c1 ZINC000849007028 588433133 /nfs/dbraw/zinc/43/31/33/588433133.db2.gz TWTSSOPNMGXJLI-UHFFFAOYSA-N 1 0 249.333 2.039 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000849010386 588434594 /nfs/dbraw/zinc/43/45/94/588434594.db2.gz NKJRCZFUZCGVMF-ZFWWWQNUSA-N 1 0 243.354 2.407 20 30 BEEDRO C=CC[C@@H](CO)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849015708 588436800 /nfs/dbraw/zinc/43/68/00/588436800.db2.gz LROTVRIXZKYGLT-GFCCVEGCSA-N 1 0 247.342 2.116 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NCCCC#N)cc1 ZINC000849017456 588437467 /nfs/dbraw/zinc/43/74/67/588437467.db2.gz IWOFZDOHFXMOCI-UHFFFAOYSA-N 1 0 230.315 2.489 20 30 BEEDRO C[NH+]=C(NC[C@@H](SC)C(C)(C)C)NC1CC1 ZINC000849018302 588437672 /nfs/dbraw/zinc/43/76/72/588437672.db2.gz ZLNPUJSCPDIRKQ-SNVBAGLBSA-N 1 0 243.420 2.092 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](SC)C(C)(C)C ZINC000849017644 588437863 /nfs/dbraw/zinc/43/78/63/588437863.db2.gz AFDFJEWPWJQNKI-SNVBAGLBSA-N 1 0 243.420 2.454 20 30 BEEDRO CCC1(CNC(NC)=[NH+]C)CCCCC1 ZINC000849019507 588438320 /nfs/dbraw/zinc/43/83/20/588438320.db2.gz VCZZLWUDQFCICL-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO CNC(NCCc1c(C)oc2ccccc21)=[NH+]C ZINC000849020033 588438629 /nfs/dbraw/zinc/43/86/29/588438629.db2.gz XLCXVDDVTUFGAP-UHFFFAOYSA-N 1 0 245.326 2.079 20 30 BEEDRO C=CCNC(=[NH2+])NCC(F)(F)c1ccccc1 ZINC000849021792 588439424 /nfs/dbraw/zinc/43/94/24/588439424.db2.gz ZMXZSDHCUZHDEI-UHFFFAOYSA-N 1 0 239.269 2.078 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[C@@H](C)C1 ZINC000849025188 588440446 /nfs/dbraw/zinc/44/04/46/588440446.db2.gz SGLQAICFNKWAFV-VXGBXAGGSA-N 1 0 249.358 2.381 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCc1ccc(C)cc1)C(C)C ZINC000849025792 588440702 /nfs/dbraw/zinc/44/07/02/588440702.db2.gz BSWDXQBFDUPVPD-CQSZACIVSA-N 1 0 243.354 2.267 20 30 BEEDRO N#CC1(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000849026131 588440783 /nfs/dbraw/zinc/44/07/83/588440783.db2.gz XUMGOBYGBODBKG-UHFFFAOYSA-N 1 0 234.347 2.127 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])NC2CCCC2)c1 ZINC000849038321 588446305 /nfs/dbraw/zinc/44/63/05/588446305.db2.gz NOVHBMSYTVAXMP-UHFFFAOYSA-N 1 0 241.338 2.224 20 30 BEEDRO C[C@H](C[NH+]=C(N(C)C)N(C)C)CC(F)(F)F ZINC000849042411 588448503 /nfs/dbraw/zinc/44/85/03/588448503.db2.gz MHOONHSNKUBJDB-QMMMGPOBSA-N 1 0 239.285 2.054 20 30 BEEDRO CCNC(N[C@@H]1C[C@@]1(F)c1ccccc1)=[NH+]CC ZINC000849044709 588449322 /nfs/dbraw/zinc/44/93/22/588449322.db2.gz CTZXWSVJDDRJIZ-TZMCWYRMSA-N 1 0 249.333 2.199 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000849045164 588449424 /nfs/dbraw/zinc/44/94/24/588449424.db2.gz RWNCPSWHUFDKRF-OCCSQVGLSA-N 1 0 247.317 2.314 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC1CCC1)c1ccccc1 ZINC000849045235 588449523 /nfs/dbraw/zinc/44/95/23/588449523.db2.gz FWPFWFLWQMIQQE-ZDUSSCGKSA-N 1 0 227.311 2.027 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCC1CCC1)c1ccccc1 ZINC000849045922 588450003 /nfs/dbraw/zinc/45/00/03/588450003.db2.gz SDBVFGCDSIGLQV-AWEZNQCLSA-N 1 0 241.338 2.275 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1CC(C)(C)C)N(C)C ZINC000849046871 588450455 /nfs/dbraw/zinc/45/04/55/588450455.db2.gz DSKMOPUMFGYARR-WDEREUQCSA-N 1 0 225.380 2.290 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCC1(C#N)CCCC1 ZINC000849047239 588450546 /nfs/dbraw/zinc/45/05/46/588450546.db2.gz ROYYXQJHGYLQSD-UHFFFAOYSA-N 1 0 236.363 2.230 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000849047527 588450864 /nfs/dbraw/zinc/45/08/64/588450864.db2.gz MEZLJMYKHMCDHH-QWRGUYRKSA-N 1 0 247.745 2.381 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cccc(C)c1OC ZINC000849048429 588450972 /nfs/dbraw/zinc/45/09/72/588450972.db2.gz DYPRMFHJAFAYMO-UHFFFAOYSA-N 1 0 247.342 2.194 20 30 BEEDRO c1ccc(CCCCNC2=[NH+]CCCCN2)cc1 ZINC000849215261 588461914 /nfs/dbraw/zinc/46/19/14/588461914.db2.gz YJXPOLDDFDZFSW-UHFFFAOYSA-N 1 0 245.370 2.338 20 30 BEEDRO C=CCC1(CNC2=[NH+]CCCCN2)CCCC1 ZINC000849216232 588462252 /nfs/dbraw/zinc/46/22/52/588462252.db2.gz AGMTUGPGWYXWCF-UHFFFAOYSA-N 1 0 235.375 2.452 20 30 BEEDRO C=CCC[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000850354671 588538610 /nfs/dbraw/zinc/53/86/10/588538610.db2.gz SZMLTHXRQWOJQQ-UHFFFAOYSA-N 1 0 234.130 2.393 20 30 BEEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3C=CCC3)n2c1 ZINC000850358301 588539136 /nfs/dbraw/zinc/53/91/36/588539136.db2.gz AXAHFPNHFJXZBZ-GFCCVEGCSA-N 1 0 238.294 2.014 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2CCCOC2)CCOCC1 ZINC000850369249 588541230 /nfs/dbraw/zinc/54/12/30/588541230.db2.gz SADCBMHCHYKESI-ZDUSSCGKSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[S@@](=O)CC ZINC000850434735 588546157 /nfs/dbraw/zinc/54/61/57/588546157.db2.gz WZVKBOVCGBKVAN-IOASZLSFSA-N 1 0 243.416 2.480 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CSCCF ZINC000850437973 588546769 /nfs/dbraw/zinc/54/67/69/588546769.db2.gz BNGZJGNYPQSXRH-SNVBAGLBSA-N 1 0 203.326 2.081 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)CSCCF ZINC000850445322 588547094 /nfs/dbraw/zinc/54/70/94/588547094.db2.gz RJGDKIBNFZAVEH-NSHDSACASA-N 1 0 217.353 2.471 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCSCC2)nc1 ZINC000850463478 588548074 /nfs/dbraw/zinc/54/80/74/588548074.db2.gz UQJXWHDFSVDNHX-LBPRGKRZSA-N 1 0 247.367 2.329 20 30 BEEDRO C=CCC[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850501894 588552521 /nfs/dbraw/zinc/55/25/21/588552521.db2.gz HAOOOYDCBPAXCD-UHFFFAOYSA-N 1 0 240.347 2.209 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850502658 588552979 /nfs/dbraw/zinc/55/29/79/588552979.db2.gz SVVINGNSKQNICI-VIFPVBQESA-N 1 0 235.287 2.404 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000850526463 588557016 /nfs/dbraw/zinc/55/70/16/588557016.db2.gz VDOVQTSAOWWWCY-FRRDWIJNSA-N 1 0 234.343 2.370 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CC)cc1 ZINC000850531277 588557719 /nfs/dbraw/zinc/55/77/19/588557719.db2.gz IFPNUWYXOVNSIG-TZMCWYRMSA-N 1 0 247.338 2.120 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)CCCO2 ZINC000850571930 588561231 /nfs/dbraw/zinc/56/12/31/588561231.db2.gz FIELLDZECKIEAD-SMDDNHRTSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CCCC1(CNC(=O)C[NH2+]CC)CCCC1 ZINC000851642394 588612849 /nfs/dbraw/zinc/61/28/49/588612849.db2.gz ZQSFZCTYOIJGQP-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCCCCCCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851659094 588613386 /nfs/dbraw/zinc/61/33/86/588613386.db2.gz OHPWMYSMUMILTC-LBPRGKRZSA-N 1 0 243.395 2.254 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1ccccc1 ZINC000851714823 588615953 /nfs/dbraw/zinc/61/59/53/588615953.db2.gz UNVMEANIAJNOHR-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1COC(C)(C)O1 ZINC000851720452 588617210 /nfs/dbraw/zinc/61/72/10/588617210.db2.gz KKLQVLCKGDRSOD-LLVKDONJSA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCOCC[N@H+](C1CC1)C1CCCCC1 ZINC000851727541 588618386 /nfs/dbraw/zinc/61/83/86/588618386.db2.gz QJANQKYNAQOHRV-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000851754035 588623589 /nfs/dbraw/zinc/62/35/89/588623589.db2.gz ZFFACPCANZWLDV-AWEZNQCLSA-N 1 0 247.313 2.265 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H]1C(C)(C)C ZINC000851752975 588623894 /nfs/dbraw/zinc/62/38/94/588623894.db2.gz PZAOZDCOJORLST-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@@H](SCC)C1 ZINC000851768888 588625655 /nfs/dbraw/zinc/62/56/55/588625655.db2.gz OTEGORKLEMYRJT-CYBMUJFWSA-N 1 0 241.400 2.244 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cc(F)ccc2[C@@H]1C ZINC000851779370 588626973 /nfs/dbraw/zinc/62/69/73/588626973.db2.gz SNZSTYMSDLKFGS-LBPRGKRZSA-N 1 0 247.313 2.395 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCC(=O)O1 ZINC000851781541 588627903 /nfs/dbraw/zinc/62/79/03/588627903.db2.gz ZVXOGIIDZLMTQE-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000851784988 588628210 /nfs/dbraw/zinc/62/82/10/588628210.db2.gz JIXMOMGJOKGVEG-MRXNPFEDSA-N 1 0 243.350 2.201 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000851786166 588628728 /nfs/dbraw/zinc/62/87/28/588628728.db2.gz QZGJOZFGSKUUKS-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO COC(CC[N@H+](CCC#N)CCC(C)C)OC ZINC000851798972 588630037 /nfs/dbraw/zinc/63/00/37/588630037.db2.gz VJJZXTAPWDLCOL-UHFFFAOYSA-N 1 0 242.363 2.257 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000851799688 588630378 /nfs/dbraw/zinc/63/03/78/588630378.db2.gz DJAGBKUMURHPOK-CQSZACIVSA-N 1 0 233.286 2.222 20 30 BEEDRO C#CCOCC[N@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000851800716 588630786 /nfs/dbraw/zinc/63/07/86/588630786.db2.gz PHZDJAOWDNDPHA-HIFRSBDPSA-N 1 0 229.323 2.329 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1cccc(C)c1 ZINC000851900937 588641851 /nfs/dbraw/zinc/64/18/51/588641851.db2.gz ADXICVIAEQRSSS-UHFFFAOYSA-N 1 0 231.339 2.470 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000851903423 588642119 /nfs/dbraw/zinc/64/21/19/588642119.db2.gz OHULETNNJVGABG-UHFFFAOYSA-N 1 0 235.302 2.300 20 30 BEEDRO C=C(C)C[N@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851910476 588642934 /nfs/dbraw/zinc/64/29/34/588642934.db2.gz POJCKXKJYBKGJW-LLVKDONJSA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCN(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000851937892 588645816 /nfs/dbraw/zinc/64/58/16/588645816.db2.gz DOYOBOANILAZPV-OKILXGFUSA-N 1 0 234.387 2.062 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C ZINC000851974940 588649899 /nfs/dbraw/zinc/64/98/99/588649899.db2.gz MDUPPHVZGSCXFE-SNVBAGLBSA-N 1 0 249.276 2.299 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000851974939 588649937 /nfs/dbraw/zinc/64/99/37/588649937.db2.gz MDUPPHVZGSCXFE-JTQLQIEISA-N 1 0 249.276 2.299 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000851977240 588650592 /nfs/dbraw/zinc/65/05/92/588650592.db2.gz UUWFOBDGQWWSBU-JHJVBQTASA-N 1 0 209.333 2.003 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cccc(C)c2C1 ZINC000851985789 588651895 /nfs/dbraw/zinc/65/18/95/588651895.db2.gz RDFMDORJCHIULT-UHFFFAOYSA-N 1 0 229.323 2.003 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCC(OC)OC ZINC000851995463 588653297 /nfs/dbraw/zinc/65/32/97/588653297.db2.gz QGWWBBTZMULNGD-LLVKDONJSA-N 1 0 213.321 2.036 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(C(=O)OC)c1 ZINC000852097025 588662016 /nfs/dbraw/zinc/66/20/16/588662016.db2.gz IOGXEASLDUDFCF-OAHLLOKOSA-N 1 0 245.322 2.365 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000852098510 588662182 /nfs/dbraw/zinc/66/21/82/588662182.db2.gz OXIXGXVHYOOUBT-AWEZNQCLSA-N 1 0 238.375 2.023 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000852099757 588662802 /nfs/dbraw/zinc/66/28/02/588662802.db2.gz PMRWPTKAFLUMJP-AWEZNQCLSA-N 1 0 249.310 2.266 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCCCCCO ZINC000852101738 588663097 /nfs/dbraw/zinc/66/30/97/588663097.db2.gz HZFAQUVYQRJDAP-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000852102356 588663250 /nfs/dbraw/zinc/66/32/50/588663250.db2.gz WXYUJJHKZAKVHW-HZPDHXFCSA-N 1 0 245.366 2.372 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](CC(C)C)OC ZINC000852103365 588663327 /nfs/dbraw/zinc/66/33/27/588663327.db2.gz FTAOUBBAPAADPU-OLZOCXBDSA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CC(OC(C)C)C1 ZINC000852103214 588663399 /nfs/dbraw/zinc/66/33/99/588663399.db2.gz AKYGFZOCAMWLKG-BPCQOVAHSA-N 1 0 209.333 2.334 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1cncs1 ZINC000852103755 588663805 /nfs/dbraw/zinc/66/38/05/588663805.db2.gz QEMAUOFVHZLFSQ-LLVKDONJSA-N 1 0 208.330 2.077 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(F)n1 ZINC000852138690 588666269 /nfs/dbraw/zinc/66/62/69/588666269.db2.gz RNBHKVJXJJRSDR-NEPJUHHUSA-N 1 0 236.290 2.044 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)Cc1cccc(F)c1 ZINC000852162371 588668439 /nfs/dbraw/zinc/66/84/39/588668439.db2.gz IKLKYFFBNALGHJ-ZDUSSCGKSA-N 1 0 249.329 2.338 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000852205834 588671782 /nfs/dbraw/zinc/67/17/82/588671782.db2.gz VJMBVNCFCPIWRP-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO N#CC[C@@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000852319347 588678008 /nfs/dbraw/zinc/67/80/08/588678008.db2.gz KTQRQRXUASCPLH-NSHDSACASA-N 1 0 233.290 2.346 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC(c2ccco2)CC1 ZINC000852321920 588678198 /nfs/dbraw/zinc/67/81/98/588678198.db2.gz WBGKQZPTDIEBJZ-GFCCVEGCSA-N 1 0 248.326 2.388 20 30 BEEDRO CC(C)([NH2+]C[C@H](O)C1CC1)c1cccc(C#N)c1 ZINC000852353442 588679405 /nfs/dbraw/zinc/67/94/05/588679405.db2.gz HLLNVBOXHWIEHP-AWEZNQCLSA-N 1 0 244.338 2.154 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000852410288 588681167 /nfs/dbraw/zinc/68/11/67/588681167.db2.gz LCROAUBTJYYSGS-OLZOCXBDSA-N 1 0 239.359 2.426 20 30 BEEDRO C#CCCC[N@H+]1CC2(CCC2)OC[C@@H]1C ZINC000852443692 588682602 /nfs/dbraw/zinc/68/26/02/588682602.db2.gz LTZMDKNVPGSFJX-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000852495375 588685561 /nfs/dbraw/zinc/68/55/61/588685561.db2.gz JKLPZFALRVWQDL-IHRRRGAJSA-N 1 0 249.354 2.063 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@H]1COCCO1 ZINC000852496148 588686083 /nfs/dbraw/zinc/68/60/83/588686083.db2.gz POFZLEOAXMJIPI-ZDUSSCGKSA-N 1 0 229.364 2.304 20 30 BEEDRO C#CC[N@H+]1CC[C@](C)(c2cccc(OC)c2)C1 ZINC000852535878 588688508 /nfs/dbraw/zinc/68/85/08/588688508.db2.gz MXGDNJZJOSZHIT-HNNXBMFYSA-N 1 0 229.323 2.292 20 30 BEEDRO C=CC[N@H+](C[C@@H]1COC(C)(C)O1)C(C)(C)C ZINC000852554075 588689526 /nfs/dbraw/zinc/68/95/26/588689526.db2.gz BNHLZODCNDEGGP-LLVKDONJSA-N 1 0 227.348 2.424 20 30 BEEDRO C=CCN(Cc1cnsn1)C(C)(C)C ZINC000852554412 588689555 /nfs/dbraw/zinc/68/95/55/588689555.db2.gz LSVWCXXMSNGYGT-UHFFFAOYSA-N 1 0 211.334 2.325 20 30 BEEDRO CCCCCCC[N@H+]1CCC(=O)N(C)CC1 ZINC000852581445 588692143 /nfs/dbraw/zinc/69/21/43/588692143.db2.gz UBXYNJVNZLMDIY-UHFFFAOYSA-N 1 0 226.364 2.121 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852586836 588692507 /nfs/dbraw/zinc/69/25/07/588692507.db2.gz UHXRHSHGMZYRKU-NWDGAFQWSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCC1([NH2+]CC[C@@H]2CCOC2=O)CCCC1 ZINC000852588177 588692535 /nfs/dbraw/zinc/69/25/35/588692535.db2.gz PJTPVXIEXOCLSP-GFCCVEGCSA-N 1 0 237.343 2.418 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000852596817 588692756 /nfs/dbraw/zinc/69/27/56/588692756.db2.gz OCEQLXIRLPSJIE-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)c1ccccn1 ZINC000852687356 588696219 /nfs/dbraw/zinc/69/62/19/588696219.db2.gz IWTLQYAPIWWOHT-VNHYZAJKSA-N 1 0 244.338 2.298 20 30 BEEDRO C#CCCC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000852713318 588697628 /nfs/dbraw/zinc/69/76/28/588697628.db2.gz CYNPBYRNGRALHZ-CYBMUJFWSA-N 1 0 239.265 2.001 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](CCC1CC1)CC1CC1 ZINC000852716688 588697758 /nfs/dbraw/zinc/69/77/58/588697758.db2.gz PDKHBGXBQSVGHV-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CC1(C)C ZINC000852774639 588701934 /nfs/dbraw/zinc/70/19/34/588701934.db2.gz YHEDPAOXIORPPH-NEPJUHHUSA-N 1 0 219.332 2.408 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852904194 588712646 /nfs/dbraw/zinc/71/26/46/588712646.db2.gz IIWZAQQDTCQBSZ-AWEZNQCLSA-N 1 0 248.370 2.111 20 30 BEEDRO CCCCCCCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861615038 589170230 /nfs/dbraw/zinc/17/02/30/589170230.db2.gz CRFLVJCVETZZLA-GFCCVEGCSA-N 1 0 243.395 2.336 20 30 BEEDRO CCCCCCCNC(=O)NCC[NH2+]C1CC1 ZINC000861638579 589172237 /nfs/dbraw/zinc/17/22/37/589172237.db2.gz KYVLPKHMEBTDPN-UHFFFAOYSA-N 1 0 241.379 2.008 20 30 BEEDRO C#CC[N@@H+](C[C@]1(C)CCCS1)C1CC1 ZINC000862326049 589201431 /nfs/dbraw/zinc/20/14/31/589201431.db2.gz IWQSLDFMCITZJF-LBPRGKRZSA-N 1 0 209.358 2.370 20 30 BEEDRO Cc1c(F)nccc1C[NH2+]CC1(CC#N)CC1 ZINC000862352282 589202601 /nfs/dbraw/zinc/20/26/01/589202601.db2.gz CEZOREUYARJYFK-UHFFFAOYSA-N 1 0 233.290 2.313 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862362525 589204131 /nfs/dbraw/zinc/20/41/31/589204131.db2.gz AOERZVUYEAIKMF-WCBMZHEXSA-N 1 0 201.260 2.422 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC000862400202 589209338 /nfs/dbraw/zinc/20/93/38/589209338.db2.gz PTWUCTGWRBRCGU-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC000862442787 589213429 /nfs/dbraw/zinc/21/34/29/589213429.db2.gz HUYBBDFCWMBTOD-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000862444573 589213947 /nfs/dbraw/zinc/21/39/47/589213947.db2.gz CGIKFFSSBCCOIK-LBPRGKRZSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000862443620 589214160 /nfs/dbraw/zinc/21/41/60/589214160.db2.gz RFXLGYOFRYOAEP-GFCCVEGCSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2O)C1 ZINC000862444918 589214602 /nfs/dbraw/zinc/21/46/02/589214602.db2.gz IXEZVPCKNLFWSM-GFCCVEGCSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(F)nc2C)C1 ZINC000862448036 589215287 /nfs/dbraw/zinc/21/52/87/589215287.db2.gz VPMMEAKMVDSQJP-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cncc(OCC)c2)C1 ZINC000862447984 589215468 /nfs/dbraw/zinc/21/54/68/589215468.db2.gz TZAGGDBTNKUSHQ-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000862547700 589220229 /nfs/dbraw/zinc/22/02/29/589220229.db2.gz MLFPKGSVKDOPJB-MGPQQGTHSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000862548622 589220301 /nfs/dbraw/zinc/22/03/01/589220301.db2.gz JLKRYTJMPXMCHO-ZBFHGGJFSA-N 1 0 245.366 2.493 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](CC)CCC=C ZINC000862549130 589220418 /nfs/dbraw/zinc/22/04/18/589220418.db2.gz VSPZLDFCKMJGHT-CHWSQXEVSA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CC(C(F)F)C1 ZINC000862548870 589220425 /nfs/dbraw/zinc/22/04/25/589220425.db2.gz PLCALJJEVZQBKE-HSOILSAZSA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000862550238 589220834 /nfs/dbraw/zinc/22/08/34/589220834.db2.gz KHZBKLBDKXPBTP-JHJVBQTASA-N 1 0 209.333 2.049 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000119103871 589242101 /nfs/dbraw/zinc/24/21/01/589242101.db2.gz NRIUIYJSDBABNN-HNNXBMFYSA-N 1 0 245.391 2.500 20 30 BEEDRO CC1(C)CCC[C@@H]1NN=C1C[N@@H+]2C[C@@H]1CCC2 ZINC000863110322 589257849 /nfs/dbraw/zinc/25/78/49/589257849.db2.gz OVKFCJONBFCNLU-AAEUAGOBSA-N 1 0 235.375 2.236 20 30 BEEDRO CC(=NNc1cc[nH+]cc1C)c1scnc1C ZINC000863157596 589263824 /nfs/dbraw/zinc/26/38/24/589263824.db2.gz PMEHTLDGFHMTNY-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO Cc1cccc(N=NC2CC[N@@H+]3CCC[C@H]23)n1 ZINC000863159921 589264837 /nfs/dbraw/zinc/26/48/37/589264837.db2.gz KGMVDHWQIPGTBG-GFCCVEGCSA-N 1 0 230.315 2.026 20 30 BEEDRO C=CCOc1ccccc1CN(C)C[C@H](C)[NH3+] ZINC000863653815 589308188 /nfs/dbraw/zinc/30/81/88/589308188.db2.gz QDRQZVBYJOTKBD-LBPRGKRZSA-N 1 0 234.343 2.030 20 30 BEEDRO CCC(C#N)(CC)c1nc(C2CC[NH2+]CC2)no1 ZINC000863654812 589308247 /nfs/dbraw/zinc/30/82/47/589308247.db2.gz OTSCUJWXFCMXOY-UHFFFAOYSA-N 1 0 248.330 2.118 20 30 BEEDRO CCC(C#N)(CC)c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000863657516 589308754 /nfs/dbraw/zinc/30/87/54/589308754.db2.gz TXAGDPKNZVUQER-VIFPVBQESA-N 1 0 236.319 2.307 20 30 BEEDRO C=CCSCCNC(=[NH2+])NC(CC)CC ZINC000864456441 589367238 /nfs/dbraw/zinc/36/72/38/589367238.db2.gz IZZFVEPOJXTOFV-UHFFFAOYSA-N 1 0 229.393 2.208 20 30 BEEDRO C#CCCCCNC(=[NH2+])NC(CC)CC ZINC000864459315 589368485 /nfs/dbraw/zinc/36/84/85/589368485.db2.gz GQUDAWAWPUCGEY-UHFFFAOYSA-N 1 0 209.337 2.092 20 30 BEEDRO C#CCCCCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864460707 589368774 /nfs/dbraw/zinc/36/87/74/589368774.db2.gz ZKZCLVVZCDCFGY-GFCCVEGCSA-N 1 0 221.348 2.046 20 30 BEEDRO C=CCCCCNC(=[NH2+])NCCC1CC1 ZINC000864463735 589369872 /nfs/dbraw/zinc/36/98/72/589369872.db2.gz JHQMEMLKSWXVCH-UHFFFAOYSA-N 1 0 209.337 2.257 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865415257 589434139 /nfs/dbraw/zinc/43/41/39/589434139.db2.gz YIUNNSIGSMVHAE-AAEUAGOBSA-N 1 0 243.354 2.370 20 30 BEEDRO C#CCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865477685 589439824 /nfs/dbraw/zinc/43/98/24/589439824.db2.gz IFANWDJWVZNACZ-UHFFFAOYSA-N 1 0 230.267 2.036 20 30 BEEDRO C=CCCC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865547646 589445080 /nfs/dbraw/zinc/44/50/80/589445080.db2.gz HFZZRSMXUCSWIT-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1C=CCC1 ZINC000865624157 589452078 /nfs/dbraw/zinc/45/20/78/589452078.db2.gz VINRDTROBJXMOI-AWEZNQCLSA-N 1 0 241.338 2.432 20 30 BEEDRO C/C=C/C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865642101 589453825 /nfs/dbraw/zinc/45/38/25/589453825.db2.gz ACWKKBNQMUXIMB-SNAWJCMRSA-N 1 0 229.327 2.290 20 30 BEEDRO C=CCOCCNc1cc[nH+]cc1C(F)(F)F ZINC000865666608 589455129 /nfs/dbraw/zinc/45/51/29/589455129.db2.gz KPUHMJCBMIFHRM-UHFFFAOYSA-N 1 0 246.232 2.137 20 30 BEEDRO C[C@@H](O)c1ccc(N2CCC(CC#N)CC2)nc1 ZINC000865668152 589455480 /nfs/dbraw/zinc/45/54/80/589455480.db2.gz CRJQSRCMJSOPPX-LLVKDONJSA-N 1 0 245.326 2.265 20 30 BEEDRO CC(C)(C#N)CNc1ccncc1C(F)(F)F ZINC000865668828 589455524 /nfs/dbraw/zinc/45/55/24/589455524.db2.gz RFCQBJJZSUYEFL-UHFFFAOYSA-N 1 0 243.232 2.484 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1ccnn1C ZINC000865838413 589464032 /nfs/dbraw/zinc/46/40/32/589464032.db2.gz ILOLYLXMKAGRBE-VIFPVBQESA-N 1 0 246.339 2.204 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccncc1)C2 ZINC000865847933 589464693 /nfs/dbraw/zinc/46/46/93/589464693.db2.gz JTEKMCDDNLYLSH-MRXNPFEDSA-N 1 0 249.317 2.210 20 30 BEEDRO C[C@@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000865847189 589464833 /nfs/dbraw/zinc/46/48/33/589464833.db2.gz AFUNRIBIJVCKAD-BMIGLBTASA-N 1 0 226.323 2.414 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000866274399 589483947 /nfs/dbraw/zinc/48/39/47/589483947.db2.gz KEBKNDTVESETBU-CYBMUJFWSA-N 1 0 214.312 2.462 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CCc1cccnc1 ZINC000866316111 589486006 /nfs/dbraw/zinc/48/60/06/589486006.db2.gz WTAXWNGVECWCCT-HIFRSBDPSA-N 1 0 248.370 2.177 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866335678 589486882 /nfs/dbraw/zinc/48/68/82/589486882.db2.gz DQFGJHBGDFYPJJ-KGLIPLIRSA-N 1 0 239.359 2.126 20 30 BEEDRO CC1(C)CC[C@@H](O)[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000866453061 589494330 /nfs/dbraw/zinc/49/43/30/589494330.db2.gz QMVYIDGGUGZKHV-WUHRBBMRSA-N 1 0 236.359 2.208 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000866472676 589494986 /nfs/dbraw/zinc/49/49/86/589494986.db2.gz CQUYOQIGHPSKNB-ZYHUDNBSSA-N 1 0 233.290 2.393 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CSC[C@@H]3C2)C1 ZINC000866584634 589502100 /nfs/dbraw/zinc/50/21/00/589502100.db2.gz PLWDITPOSJZKHO-VOAKCMCISA-N 1 0 236.384 2.364 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccnn1C ZINC000866612608 589504655 /nfs/dbraw/zinc/50/46/55/589504655.db2.gz ABMVIIGIQKPNJM-SDDRHHMPSA-N 1 0 232.331 2.153 20 30 BEEDRO CCOC[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866618054 589505411 /nfs/dbraw/zinc/50/54/11/589505411.db2.gz UVXITVWCOPRKBS-IAQYHMDHSA-N 1 0 244.338 2.040 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617514 589505555 /nfs/dbraw/zinc/50/55/55/589505555.db2.gz KNWSFMOCXIPTQS-UEKVPHQBSA-N 1 0 244.338 2.038 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616799 589505568 /nfs/dbraw/zinc/50/55/68/589505568.db2.gz BVCRWKYKNYVBQY-ONERCXAPSA-N 1 0 226.323 2.414 20 30 BEEDRO C=CCN1c2ccccc2[C@H]([NH3+])C1(C)C ZINC000866701368 589514034 /nfs/dbraw/zinc/51/40/34/589514034.db2.gz OQYSTXZZYUZECL-LBPRGKRZSA-N 1 0 202.301 2.471 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000122992222 589647914 /nfs/dbraw/zinc/64/79/14/589647914.db2.gz BXPQPIILARFJBS-JTQLQIEISA-N 1 0 226.279 2.052 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000123056895 589658372 /nfs/dbraw/zinc/65/83/72/589658372.db2.gz JGKZVHYTYKROEE-LLVKDONJSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000123085927 589661067 /nfs/dbraw/zinc/66/10/67/589661067.db2.gz IELVAMQNEQYKFX-GHMZBOCLSA-N 1 0 245.322 2.130 20 30 BEEDRO C=CCCC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870569545 589676941 /nfs/dbraw/zinc/67/69/41/589676941.db2.gz BTTQZMAQBYLUPR-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO CC#CCCCC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870569586 589676983 /nfs/dbraw/zinc/67/69/83/589676983.db2.gz VAHJTFLEVKAYIC-ZDUSSCGKSA-N 1 0 239.359 2.309 20 30 BEEDRO C=CCCCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871155173 589739992 /nfs/dbraw/zinc/73/99/92/589739992.db2.gz NARXZMOOVJJXDA-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(O)c1F ZINC000872063560 589862505 /nfs/dbraw/zinc/86/25/05/589862505.db2.gz XMAHSBSXVHAKAK-ZJUUUORDSA-N 1 0 239.290 2.119 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cccc(O)c1F ZINC000872059641 589862746 /nfs/dbraw/zinc/86/27/46/589862746.db2.gz GWDMMPZZZWHLPZ-SECBINFHSA-N 1 0 222.263 2.486 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872078034 589865804 /nfs/dbraw/zinc/86/58/04/589865804.db2.gz ODBQNGHSGJQPEU-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127813 589877798 /nfs/dbraw/zinc/87/77/98/589877798.db2.gz YQXTYOAERJKZEN-SYQHCUMBSA-N 1 0 223.360 2.482 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)COCC)CC1 ZINC000872139512 589880205 /nfs/dbraw/zinc/88/02/05/589880205.db2.gz GUAGUIHYWVLSOL-AVGNSLFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000872139660 589880397 /nfs/dbraw/zinc/88/03/97/589880397.db2.gz MXMWRFMIIQHBMT-AAVRWANBSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CCCCO)CC1 ZINC000872140756 589881447 /nfs/dbraw/zinc/88/14/47/589881447.db2.gz XKYHIMUDXARPST-MGPQQGTHSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](COC)C2CC2)CC1 ZINC000872140661 589881616 /nfs/dbraw/zinc/88/16/16/589881616.db2.gz VBQPUPRLGBQDMH-MRVWCRGKSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000872140907 589881815 /nfs/dbraw/zinc/88/18/15/589881815.db2.gz DBWDLDIKLOBSKW-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)CC(F)(F)F)CC1 ZINC000872252237 589900495 /nfs/dbraw/zinc/90/04/95/589900495.db2.gz YSXMLYSKNZYKKG-GMTAPVOTSA-N 1 0 249.276 2.081 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872280772 589905781 /nfs/dbraw/zinc/90/57/81/589905781.db2.gz PAAMBDSEQUGANW-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872280773 589905805 /nfs/dbraw/zinc/90/58/05/589905805.db2.gz PAAMBDSEQUGANW-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@H]1C(N=Nc2ccc(F)cc2)CC[N@@H+]1C ZINC000872326778 589913092 /nfs/dbraw/zinc/91/30/92/589913092.db2.gz XILIWJPOZVSECK-VIFPVBQESA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@@H]1C(N=Nc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000872328590 589913882 /nfs/dbraw/zinc/91/38/82/589913882.db2.gz YUEJSTRJMLXBAT-SECBINFHSA-N 1 0 243.314 2.055 20 30 BEEDRO C[C@H]1C(N=Nc2ccccc2F)CC[N@@H+]1C ZINC000872340920 589914577 /nfs/dbraw/zinc/91/45/77/589914577.db2.gz UUCVDXCZAAIYCJ-VIFPVBQESA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000872341710 589915305 /nfs/dbraw/zinc/91/53/05/589915305.db2.gz HFEXLOZDTJMTAY-SNVBAGLBSA-N 1 0 228.299 2.050 20 30 BEEDRO C[NH+](C)C1(C)CCC(=NNCC(F)F)CC1 ZINC000872354311 589916694 /nfs/dbraw/zinc/91/66/94/589916694.db2.gz PZWYWGVAOXQOKT-UHFFFAOYSA-N 1 0 233.306 2.091 20 30 BEEDRO COc1ccc(N=NCC2CC[NH+](C)CC2)cc1 ZINC000872359918 589918701 /nfs/dbraw/zinc/91/87/01/589918701.db2.gz UKUFMMPUFJTEPF-UHFFFAOYSA-N 1 0 247.342 2.435 20 30 BEEDRO C[NH+]1CCC(C=NOCCC(F)(F)F)CC1 ZINC000872366009 589921488 /nfs/dbraw/zinc/92/14/88/589921488.db2.gz NAXLEJLISXEMPI-UHFFFAOYSA-N 1 0 238.253 2.283 20 30 BEEDRO CNc1ccccc1C=[NH+]OCCCOC ZINC000872373651 589924289 /nfs/dbraw/zinc/92/42/89/589924289.db2.gz IOWPHMCYSPDEFV-UHFFFAOYSA-N 1 0 222.288 2.115 20 30 BEEDRO C=C[C@@H](C)ON=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872387510 589930785 /nfs/dbraw/zinc/93/07/85/589930785.db2.gz RQPBJJDQVAOFRV-PWSUYJOCSA-N 1 0 240.372 2.145 20 30 BEEDRO C[C@H]1C(N=Nc2ccc(Cl)cn2)CC[N@@H+]1C ZINC000872390279 589931456 /nfs/dbraw/zinc/93/14/56/589931456.db2.gz JRPCDGULMVZSSH-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO FC(F)(F)CC[NH+]1CCC(=NN2CCC2)CC1 ZINC000872397041 589933711 /nfs/dbraw/zinc/93/37/11/589933711.db2.gz KVZMUVOMZWJOIG-UHFFFAOYSA-N 1 0 249.280 2.096 20 30 BEEDRO CC(=[NH+]N1CCC1)c1ccccc1N(C)C ZINC000872397710 589934272 /nfs/dbraw/zinc/93/42/72/589934272.db2.gz WRMUWJRCXMHWEO-UHFFFAOYSA-N 1 0 217.316 2.182 20 30 BEEDRO C=CCCOCCNc1cc[nH+]cc1C1CC1 ZINC000872492499 589944373 /nfs/dbraw/zinc/94/43/73/589944373.db2.gz HZLUDGBXYKMEMO-UHFFFAOYSA-N 1 0 232.327 2.386 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000873197840 589991946 /nfs/dbraw/zinc/99/19/46/589991946.db2.gz FJLOBQXYTNUDAV-XYPYZODXSA-N 1 0 245.351 2.296 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2C)CC1 ZINC000873198579 589992118 /nfs/dbraw/zinc/99/21/18/589992118.db2.gz QMIGHHLXZJQTHA-MQMHXKEQSA-N 1 0 231.343 2.010 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2CC)CC1 ZINC000873198341 589992174 /nfs/dbraw/zinc/99/21/74/589992174.db2.gz FRFJLXNEMINHSR-MQMHXKEQSA-N 1 0 245.370 2.264 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC2=CCCOC2)CC1 ZINC000873198703 589992784 /nfs/dbraw/zinc/99/27/84/589992784.db2.gz WZNQYNMDVWPDHO-MQMHXKEQSA-N 1 0 219.328 2.115 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)CCC1OCCO1 ZINC000124538309 590047640 /nfs/dbraw/zinc/04/76/40/590047640.db2.gz OHABSVQGETXZFU-UHFFFAOYSA-N 1 0 240.347 2.011 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000124993742 590107142 /nfs/dbraw/zinc/10/71/42/590107142.db2.gz HQNLYYVMRZLZIR-NSHDSACASA-N 1 0 210.280 2.346 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874839123 590144390 /nfs/dbraw/zinc/14/43/90/590144390.db2.gz TUPLLMMJFPDBGI-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000875583629 590165954 /nfs/dbraw/zinc/16/59/54/590165954.db2.gz QQVXXJBBJMIMAL-LBPRGKRZSA-N 1 0 243.395 2.206 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])N2CCCCCC2)cn1 ZINC000125989977 590202616 /nfs/dbraw/zinc/20/26/16/590202616.db2.gz IYAWRILWBLGSOP-UHFFFAOYSA-N 1 0 246.358 2.081 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H](O)C1 ZINC000876528184 590209111 /nfs/dbraw/zinc/20/91/11/590209111.db2.gz RVWYESYBNQQOJP-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccccc1C ZINC000876545473 590213762 /nfs/dbraw/zinc/21/37/62/590213762.db2.gz ODLRYIIFCYCTKK-JTQLQIEISA-N 1 0 238.718 2.403 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCC(C)C ZINC000876549440 590214495 /nfs/dbraw/zinc/21/44/95/590214495.db2.gz PKXWOJAIUWYOFN-GHMZBOCLSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(C)(C)C ZINC000876577151 590217469 /nfs/dbraw/zinc/21/74/69/590217469.db2.gz SBLQBRBCZWQDOT-VIFPVBQESA-N 1 0 232.755 2.009 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC(C)C ZINC000876589918 590219178 /nfs/dbraw/zinc/21/91/78/590219178.db2.gz QRTOPBKVPJDGNY-SNVBAGLBSA-N 1 0 232.755 2.009 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC(C)C ZINC000876589916 590219288 /nfs/dbraw/zinc/21/92/88/590219288.db2.gz QRTOPBKVPJDGNY-JTQLQIEISA-N 1 0 232.755 2.009 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(CC)CC1 ZINC000876610356 590221972 /nfs/dbraw/zinc/22/19/72/590221972.db2.gz YJCBYWITJQTVMP-NSHDSACASA-N 1 0 244.766 2.105 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000876616970 590222218 /nfs/dbraw/zinc/22/22/18/590222218.db2.gz CLBAIVKDLSFMEQ-ZDUSSCGKSA-N 1 0 239.359 2.311 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2nccnc2c1 ZINC000876639092 590224946 /nfs/dbraw/zinc/22/49/46/590224946.db2.gz LTYWSTJYIYVKHP-UHFFFAOYSA-N 1 0 225.295 2.085 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000876668194 590227102 /nfs/dbraw/zinc/22/71/02/590227102.db2.gz SVAYHVBUEMCSEV-LSJOCFKGSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C(C)C)C1CCC1 ZINC000876675913 590229222 /nfs/dbraw/zinc/22/92/22/590229222.db2.gz IKJIQTMXOOCSRN-NSHDSACASA-N 1 0 244.766 2.246 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C ZINC000876701610 590231727 /nfs/dbraw/zinc/23/17/27/590231727.db2.gz VHGGROIENCOOBC-QMMMGPOBSA-N 1 0 244.766 2.007 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C[C@H](C)CC ZINC000876698150 590231850 /nfs/dbraw/zinc/23/18/50/590231850.db2.gz MPEWIPCGRKORRX-KOLCDFICSA-N 1 0 246.782 2.351 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(CCC)CC1 ZINC000876704314 590231955 /nfs/dbraw/zinc/23/19/55/590231955.db2.gz XUQCFRPVJLVYJN-JTQLQIEISA-N 1 0 244.766 2.153 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CCn1cccn1 ZINC000876732141 590234466 /nfs/dbraw/zinc/23/44/66/590234466.db2.gz XHQDXVBIVAXTOO-UHFFFAOYSA-N 1 0 233.359 2.399 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000876760915 590238862 /nfs/dbraw/zinc/23/88/62/590238862.db2.gz SIEGRXTUSGAZPA-UHFFFAOYSA-N 1 0 231.343 2.352 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000876815039 590245673 /nfs/dbraw/zinc/24/56/73/590245673.db2.gz MUCJTGKUUIYNSV-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC(C)C ZINC000876882690 590252772 /nfs/dbraw/zinc/25/27/72/590252772.db2.gz OFQRMDREPYIDIW-VHSXEESVSA-N 1 0 232.755 2.007 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CC(C)C ZINC000876882688 590253103 /nfs/dbraw/zinc/25/31/03/590253103.db2.gz OFQRMDREPYIDIW-NXEZZACHSA-N 1 0 232.755 2.007 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)cnc1Cl)C1CC1 ZINC000876896392 590254798 /nfs/dbraw/zinc/25/47/98/590254798.db2.gz BXLBHYKXVOHTIE-MRVPVSSYSA-N 1 0 235.718 2.495 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](O)c1ccco1 ZINC000876917800 590256913 /nfs/dbraw/zinc/25/69/13/590256913.db2.gz WUQZTIPFIBYYAY-CYBMUJFWSA-N 1 0 235.327 2.486 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1cccnc1 ZINC000876923288 590257860 /nfs/dbraw/zinc/25/78/60/590257860.db2.gz SUUKIMTWADIIRV-GFCCVEGCSA-N 1 0 217.316 2.154 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876930855 590258085 /nfs/dbraw/zinc/25/80/85/590258085.db2.gz FAMJRGMMWQJIDA-PSASIEDQSA-N 1 0 235.718 2.352 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]([NH3+])CC(=C)Cl ZINC000876952751 590260350 /nfs/dbraw/zinc/26/03/50/590260350.db2.gz VSMYECALJAIPIK-NSHDSACASA-N 1 0 244.766 2.319 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)N1CCCCC1 ZINC000876956598 590260865 /nfs/dbraw/zinc/26/08/65/590260865.db2.gz LPFYTJXRSHTTBZ-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@H](C)CC ZINC000876955835 590261035 /nfs/dbraw/zinc/26/10/35/590261035.db2.gz CKICSYZSWCAOIG-ZJUUUORDSA-N 1 0 232.755 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](C)CC ZINC000876960644 590261524 /nfs/dbraw/zinc/26/15/24/590261524.db2.gz JBWLLUCTMWSKQQ-PSASIEDQSA-N 1 0 232.755 2.009 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000876965319 590262195 /nfs/dbraw/zinc/26/21/95/590262195.db2.gz BOVZHVKTJHGUFV-JTQLQIEISA-N 1 0 237.265 2.083 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC1CCC1 ZINC000876969342 590262442 /nfs/dbraw/zinc/26/24/42/590262442.db2.gz YVMYFAMZNOJSKL-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876978129 590263799 /nfs/dbraw/zinc/26/37/99/590263799.db2.gz HCGORCFUEXQRFA-TXEJJXNPSA-N 1 0 238.375 2.365 20 30 BEEDRO CO[C@H](C[NH2+]C[C@H](C)CCC#N)C(F)(F)F ZINC000877027852 590271572 /nfs/dbraw/zinc/27/15/72/590271572.db2.gz RJEYZYJYSYFZKV-RKDXNWHRSA-N 1 0 238.253 2.093 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@H](C)CCC#N)C(F)(F)F ZINC000877027849 590271747 /nfs/dbraw/zinc/27/17/47/590271747.db2.gz RJEYZYJYSYFZKV-BDAKNGLRSA-N 1 0 238.253 2.093 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cocn1 ZINC000877046671 590274327 /nfs/dbraw/zinc/27/43/27/590274327.db2.gz OJUXDEUZWONKGM-UHFFFAOYSA-N 1 0 206.289 2.348 20 30 BEEDRO C#CCCC[NH2+]Cc1nc(Cl)cs1 ZINC000877070878 590277635 /nfs/dbraw/zinc/27/76/35/590277635.db2.gz XUQRJCNOLNBKLZ-UHFFFAOYSA-N 1 0 214.721 2.300 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@]1(O)CCSC1 ZINC000877082268 590280087 /nfs/dbraw/zinc/28/00/87/590280087.db2.gz OOVVFMOYOMAMLB-ZDUSSCGKSA-N 1 0 241.400 2.028 20 30 BEEDRO C=C[C@H](CC(=O)N(C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000877106778 590285356 /nfs/dbraw/zinc/28/53/56/590285356.db2.gz ZXYZAZRHDPSKNX-CHWSQXEVSA-N 1 0 246.354 2.152 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C)cc1O ZINC000877125099 590289491 /nfs/dbraw/zinc/28/94/91/590289491.db2.gz XRMRIGWFEGKZHK-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@H](C)[S@@](C)=O ZINC000877162302 590294671 /nfs/dbraw/zinc/29/46/71/590294671.db2.gz XNWKUOVPOPBYHE-XJKSGUPXSA-N 1 0 243.416 2.317 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(Cl)c1N ZINC000877183448 590298056 /nfs/dbraw/zinc/29/80/56/590298056.db2.gz DUBMLFKANXAVDR-UHFFFAOYSA-N 1 0 240.734 2.214 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000877303798 590310756 /nfs/dbraw/zinc/31/07/56/590310756.db2.gz MWSRTZCNWQFVRP-AWEZNQCLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000877304185 590310971 /nfs/dbraw/zinc/31/09/71/590310971.db2.gz UMCARXYDOURPKX-GHMZBOCLSA-N 1 0 226.364 2.078 20 30 BEEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000877322104 590316465 /nfs/dbraw/zinc/31/64/65/590316465.db2.gz ZFYZDORAUKBFNB-MMPTUQATSA-N 1 0 246.291 2.459 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391835 590321956 /nfs/dbraw/zinc/32/19/56/590321956.db2.gz DPWJJGNKURFHDQ-ZFWWWQNUSA-N 1 0 248.370 2.156 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000877402545 590323515 /nfs/dbraw/zinc/32/35/15/590323515.db2.gz FJYBXWINJYPQJV-GXSJLCMTSA-N 1 0 231.299 2.334 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000877430433 590325967 /nfs/dbraw/zinc/32/59/67/590325967.db2.gz IRKIGSKUVOTONK-CHWSQXEVSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000877432730 590326775 /nfs/dbraw/zinc/32/67/75/590326775.db2.gz GAMOHZGHOLVAPW-HNNXBMFYSA-N 1 0 249.354 2.352 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)nc1 ZINC000877460960 590331479 /nfs/dbraw/zinc/33/14/79/590331479.db2.gz ZBLVGXKHLXAXHN-CLLJXQQHSA-N 1 0 227.311 2.089 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@]1(C)CO ZINC000877460012 590331665 /nfs/dbraw/zinc/33/16/65/590331665.db2.gz MCGYPTISXRFLNK-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000877467316 590333541 /nfs/dbraw/zinc/33/35/41/590333541.db2.gz FEPCGSIHXMFEDG-QWHCGFSZSA-N 1 0 209.333 2.025 20 30 BEEDRO Cc1cccc(C[C@H](C)[NH2+]CCC#N)c1 ZINC000877482829 590337903 /nfs/dbraw/zinc/33/79/03/590337903.db2.gz HQIOLPJMRHNCTJ-LBPRGKRZSA-N 1 0 202.301 2.429 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cccnc2F)CC1 ZINC000877492022 590340121 /nfs/dbraw/zinc/34/01/21/590340121.db2.gz ZRKUIUSWVGRKQE-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO Cc1cccc(O)c1C[NH2+]CC1(C#N)CC1 ZINC000877494638 590340618 /nfs/dbraw/zinc/34/06/18/590340618.db2.gz RPOLUSODQDMDAX-UHFFFAOYSA-N 1 0 216.284 2.094 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc(C)nn1C ZINC000877506639 590342690 /nfs/dbraw/zinc/34/26/90/590342690.db2.gz ARQHXITWGJYNMI-UHFFFAOYSA-N 1 0 233.359 2.402 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC(OCC)C1)C(C)C ZINC000877513372 590343617 /nfs/dbraw/zinc/34/36/17/590343617.db2.gz SPDUOZDQHOMZGW-WXRRBKDZSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)C(C)C ZINC000877513197 590343829 /nfs/dbraw/zinc/34/38/29/590343829.db2.gz NUOUTKGGXDELJR-GFCCVEGCSA-N 1 0 244.294 2.281 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2nccnc2c1)C(C)C ZINC000877512911 590343886 /nfs/dbraw/zinc/34/38/86/590343886.db2.gz FZRJSXDYUCHQQZ-ZDUSSCGKSA-N 1 0 239.322 2.377 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000877512813 590343981 /nfs/dbraw/zinc/34/39/81/590343981.db2.gz CBZUOUXZACGOQD-CQSZACIVSA-N 1 0 241.338 2.126 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877512894 590344006 /nfs/dbraw/zinc/34/40/06/590344006.db2.gz FHUZZMFSOGSLEI-YUMQZZPRSA-N 1 0 206.116 2.182 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000877513406 590344017 /nfs/dbraw/zinc/34/40/17/590344017.db2.gz VAYLHNTWLCDMLJ-UONOGXRCSA-N 1 0 248.370 2.333 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](OC)[C@H](C)CC)C(C)C ZINC000877512940 590344052 /nfs/dbraw/zinc/34/40/52/590344052.db2.gz GPLXQYBGFIJDMW-AGIUHOORSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(F)cc(OCC)c1 ZINC000877514017 590344375 /nfs/dbraw/zinc/34/43/75/590344375.db2.gz GIXHAWPNUAQGFG-SNVBAGLBSA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000877513804 590344501 /nfs/dbraw/zinc/34/45/01/590344501.db2.gz CRZRCSRGZPOYGR-QWHCGFSZSA-N 1 0 213.324 2.403 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2ccccc2n1C ZINC000877514670 590344744 /nfs/dbraw/zinc/34/47/44/590344744.db2.gz SONJDHCCKDPHPV-LLVKDONJSA-N 1 0 212.296 2.290 20 30 BEEDRO C#C[C@H](C)[NH2+]CCCP(=O)(OCC)OCC ZINC000877513832 590344782 /nfs/dbraw/zinc/34/47/82/590344782.db2.gz DIRXRTOLSXRRHX-NSHDSACASA-N 1 0 247.275 2.254 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(F)ccc1N(C)C ZINC000877514099 590345202 /nfs/dbraw/zinc/34/52/02/590345202.db2.gz JQMXJWUBLBEPDC-SNVBAGLBSA-N 1 0 220.291 2.003 20 30 BEEDRO C#C[C@@H](C)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000877514828 590346103 /nfs/dbraw/zinc/34/61/03/590346103.db2.gz VKYKZTXDXDRTHA-GFCCVEGCSA-N 1 0 217.312 2.455 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877524585 590346107 /nfs/dbraw/zinc/34/61/07/590346107.db2.gz YTUPQEOPYPEDMB-KWQFWETISA-N 1 0 235.718 2.495 20 30 BEEDRO C#C[C@H]([NH2+]CC1CC(OCC)C1)C(C)(C)C ZINC000877535106 590350362 /nfs/dbraw/zinc/35/03/62/590350362.db2.gz UWWOWSSCODQMSE-BPCQOVAHSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](O)C1(C)C ZINC000877541613 590351807 /nfs/dbraw/zinc/35/18/07/590351807.db2.gz JXLHKRZQSFTIFS-ZDUSSCGKSA-N 1 0 223.360 2.415 20 30 BEEDRO CCc1nc(C[NH2+]C[C@H](C)CCC#N)co1 ZINC000877570697 590362300 /nfs/dbraw/zinc/36/23/00/590362300.db2.gz NAZZTMJEKLORBG-SNVBAGLBSA-N 1 0 221.304 2.266 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877575052 590363103 /nfs/dbraw/zinc/36/31/03/590363103.db2.gz FHGBYPZQVIFHFK-UHFFFAOYSA-N 1 0 211.696 2.186 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877575111 590363382 /nfs/dbraw/zinc/36/33/82/590363382.db2.gz HLQUDHFKGZSPCN-RKDXNWHRSA-N 1 0 238.158 2.097 20 30 BEEDRO C#CCCCCCC[NH+]1CC(C(C)(C)O)C1 ZINC000877581276 590366089 /nfs/dbraw/zinc/36/60/89/590366089.db2.gz UCWIQDUMNLOBCI-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2CC23CC3)c1 ZINC000877597689 590370765 /nfs/dbraw/zinc/37/07/65/590370765.db2.gz UZLPASDKWOJZDB-JTQLQIEISA-N 1 0 233.702 2.249 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cn(CC=C)nn1 ZINC000877598017 590371078 /nfs/dbraw/zinc/37/10/78/590371078.db2.gz GEQTZRXGSVLGTM-UHFFFAOYSA-N 1 0 246.358 2.137 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000877616913 590374145 /nfs/dbraw/zinc/37/41/45/590374145.db2.gz INJYMGMBSMFAOT-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](CCC)OC)C1 ZINC000877617313 590374187 /nfs/dbraw/zinc/37/41/87/590374187.db2.gz NQIHMNPHBCROTG-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCCCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000877621600 590375690 /nfs/dbraw/zinc/37/56/90/590375690.db2.gz SYNRHWNAPCFXIJ-CYBMUJFWSA-N 1 0 223.360 2.415 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877629962 590377764 /nfs/dbraw/zinc/37/77/64/590377764.db2.gz CKTUNNRURPESNL-VIFPVBQESA-N 1 0 238.158 2.363 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](CC)C1CC1)C1CCOCC1 ZINC000877638303 590381503 /nfs/dbraw/zinc/38/15/03/590381503.db2.gz WDNBQJWTQRTDRT-ZIAGYGMSSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C1(CO)CCC1 ZINC000877641925 590382337 /nfs/dbraw/zinc/38/23/37/590382337.db2.gz LMDDSEAEQPRTQQ-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CCC(C#N)CC1 ZINC000877659927 590386598 /nfs/dbraw/zinc/38/65/98/590386598.db2.gz AOBNRSCRVMRBPF-MOKVOYLWSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC12CCC2 ZINC000877660795 590386666 /nfs/dbraw/zinc/38/66/66/590386666.db2.gz QUWDCUXQHBQUFT-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000877661047 590386716 /nfs/dbraw/zinc/38/67/16/590386716.db2.gz WDWUUSMKWZXYAY-AXFHLTTASA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(C)cc1O ZINC000877660631 590386755 /nfs/dbraw/zinc/38/67/55/590386755.db2.gz OSGAQSFWGKUREL-AWEZNQCLSA-N 1 0 247.338 2.219 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(C2CC2)no1 ZINC000877660203 590387085 /nfs/dbraw/zinc/38/70/85/590387085.db2.gz IMSKIWIFWNJPTJ-GFCCVEGCSA-N 1 0 248.326 2.070 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@H](O)C(F)F ZINC000877676707 590390340 /nfs/dbraw/zinc/39/03/40/590390340.db2.gz CKOUFOSJQGJBGT-NSHDSACASA-N 1 0 233.302 2.176 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000877700282 590393774 /nfs/dbraw/zinc/39/37/74/590393774.db2.gz LIBLIYREEAOLEM-GMTAPVOTSA-N 1 0 212.362 2.410 20 30 BEEDRO CO[C@H](C)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000877704479 590397496 /nfs/dbraw/zinc/39/74/96/590397496.db2.gz JBHXWLXGNPRDHE-GFCCVEGCSA-N 1 0 232.327 2.067 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)o1 ZINC000877742093 590407899 /nfs/dbraw/zinc/40/78/99/590407899.db2.gz XLMPRVZKCWCSNC-WDEREUQCSA-N 1 0 248.351 2.336 20 30 BEEDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccccc2C#N)C1 ZINC000877752486 590415738 /nfs/dbraw/zinc/41/57/38/590415738.db2.gz QJCPMIJCUUPFET-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877751655 590416095 /nfs/dbraw/zinc/41/60/95/590416095.db2.gz IVDAHEDMLFLVCY-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000877777471 590422180 /nfs/dbraw/zinc/42/21/80/590422180.db2.gz AZMUIXUJVRAQIX-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]C[C@H](C)CCC#N ZINC000877777967 590422337 /nfs/dbraw/zinc/42/23/37/590422337.db2.gz HROCIEWIRREHHP-IJLUTSLNSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000877796936 590424901 /nfs/dbraw/zinc/42/49/01/590424901.db2.gz NKJWIJFZQMJKIZ-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000877805420 590425618 /nfs/dbraw/zinc/42/56/18/590425618.db2.gz NIQLGCNGFUYYQU-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000877805326 590425876 /nfs/dbraw/zinc/42/58/76/590425876.db2.gz LIUAADCMLDAZBC-BPCQOVAHSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000877828107 590429168 /nfs/dbraw/zinc/42/91/68/590429168.db2.gz GJOGGQPTTLYHCL-ZYHUDNBSSA-N 1 0 232.331 2.376 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(C)o2)CC1 ZINC000877834762 590430724 /nfs/dbraw/zinc/43/07/24/590430724.db2.gz YDTOZARCUWQPJE-HAQNSBGRSA-N 1 0 218.300 2.265 20 30 BEEDRO Cc1conc1CN(C)Cc1ccc(C#N)cc1 ZINC000877917075 590446486 /nfs/dbraw/zinc/44/64/86/590446486.db2.gz NXXBZOUGHPBPQO-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(C(=O)NCCC)CC1 ZINC000877916636 590446498 /nfs/dbraw/zinc/44/64/98/590446498.db2.gz KTPCUFJXRRPOIQ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)C(C)(C)C)CC1 ZINC000877919252 590447721 /nfs/dbraw/zinc/44/77/21/590447721.db2.gz OWSIEHNVZMYXQM-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000877962778 590459507 /nfs/dbraw/zinc/45/95/07/590459507.db2.gz WPCVJCVNTZNMIO-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CCCCCC[NH+]1CCN(CC(F)F)CC1 ZINC000878016729 590472903 /nfs/dbraw/zinc/47/29/03/590472903.db2.gz TYIKTKXBGCQMJM-UHFFFAOYSA-N 1 0 244.329 2.063 20 30 BEEDRO C[C@@H](C#N)CN(C)C[C@@H]1CC2(CCC2)CO1 ZINC000878034787 590473473 /nfs/dbraw/zinc/47/34/73/590473473.db2.gz JYCQPUWGYJEBFQ-RYUDHWBXSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC(C)(C)CC1 ZINC000878038411 590476901 /nfs/dbraw/zinc/47/69/01/590476901.db2.gz JZUFXUIXYXMAQG-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+](C)CC(C)(C)C ZINC000878038916 590476962 /nfs/dbraw/zinc/47/69/62/590476962.db2.gz SVOORWPMPVGZML-SNVBAGLBSA-N 1 0 213.321 2.082 20 30 BEEDRO 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/nfs/dbraw/zinc/34/06/07/591340607.db2.gz MJIXPCUDCIFKAR-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO CC(C)([NH3+])CNc1c(C#N)cnc2ccccc21 ZINC000129664232 591348958 /nfs/dbraw/zinc/34/89/58/591348958.db2.gz ITWNZNFCIGUTQB-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C1CCOCC1 ZINC000129764312 591401303 /nfs/dbraw/zinc/40/13/03/591401303.db2.gz RLVHOZKREYYLST-VIFPVBQESA-N 1 0 203.713 2.144 20 30 BEEDRO CCC([NH3+])(CC)CNc1nccc(C)c1C#N ZINC000130072161 591434055 /nfs/dbraw/zinc/43/40/55/591434055.db2.gz RDMPTVGIHNTFLS-UHFFFAOYSA-N 1 0 232.331 2.191 20 30 BEEDRO C#CC1(F)CN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000882886888 591464627 /nfs/dbraw/zinc/46/46/27/591464627.db2.gz QOBBRADIFGKBGF-UHFFFAOYSA-N 1 0 244.191 2.262 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000130442143 591472903 /nfs/dbraw/zinc/47/29/03/591472903.db2.gz KOLBQBVVCCENJW-SNVBAGLBSA-N 1 0 221.300 2.455 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130527124 591479256 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591563895 /nfs/dbraw/zinc/56/38/95/591563895.db2.gz FOGLZANYVQGQMM-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)COC)[C@@H]1CCCO1 ZINC000883177653 591564095 /nfs/dbraw/zinc/56/40/95/591564095.db2.gz FOGLZANYVQGQMM-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cc[nH]n1)[C@H]1CCCO1 ZINC000883187446 591567022 /nfs/dbraw/zinc/56/70/22/591567022.db2.gz OHOGFKZMODVYER-CHWSQXEVSA-N 1 0 235.331 2.013 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CCC)[C@@H]1CCCO1 ZINC000883188725 591567037 /nfs/dbraw/zinc/56/70/37/591567037.db2.gz PJZMZFJKADRUSU-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(SC)o1 ZINC000883192032 591568089 /nfs/dbraw/zinc/56/80/89/591568089.db2.gz PNZLYRWCNNEFTO-SNVBAGLBSA-N 1 0 239.340 2.129 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CCCO)[C@@H]1CCCO1 ZINC000883197115 591569400 /nfs/dbraw/zinc/56/94/00/591569400.db2.gz CLYINGMYOVAVCS-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CCCO)[C@H]1CCCO1 ZINC000883197116 591569416 /nfs/dbraw/zinc/56/94/16/591569416.db2.gz CLYINGMYOVAVCS-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCC#N)[C@@H]1CCCO1 ZINC000883216706 591573899 /nfs/dbraw/zinc/57/38/99/591573899.db2.gz USOHRCWOMQULQQ-STQMWFEESA-N 1 0 222.332 2.394 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCC#N)[C@H]1CCCO1 ZINC000883216705 591573924 /nfs/dbraw/zinc/57/39/24/591573924.db2.gz USOHRCWOMQULQQ-QWHCGFSZSA-N 1 0 222.332 2.394 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCO1 ZINC000883208778 591574445 /nfs/dbraw/zinc/57/44/45/591574445.db2.gz NYZSTGXNBGKYBP-KBPBESRZSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@H]1CCCO1 ZINC000883215814 591575626 /nfs/dbraw/zinc/57/56/26/591575626.db2.gz GMMNDVFJNMQBFK-YIYPIFLZSA-N 1 0 241.375 2.249 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000883261572 591600029 /nfs/dbraw/zinc/60/00/29/591600029.db2.gz GIOQCRDSTKAAFO-DUPPUEJBSA-N 1 0 236.359 2.473 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000883320030 591615189 /nfs/dbraw/zinc/61/51/89/591615189.db2.gz YGBKUAYBCVAGQB-LPWJVIDDSA-N 1 0 222.332 2.083 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883360256 591629472 /nfs/dbraw/zinc/62/94/72/591629472.db2.gz YQVZOWIFVCGFIZ-OAHLLOKOSA-N 1 0 243.354 2.051 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000883390994 591637033 /nfs/dbraw/zinc/63/70/33/591637033.db2.gz ZADDGYGLODDNLJ-MJBXVCDLSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1nccs1 ZINC000883390753 591637406 /nfs/dbraw/zinc/63/74/06/591637406.db2.gz SYOSBQHHSYABAS-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccco1 ZINC000883389354 591640504 /nfs/dbraw/zinc/64/05/04/591640504.db2.gz OYJIEXPHVHUEKI-WDEREUQCSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccncc1Cl ZINC000883399499 591640517 /nfs/dbraw/zinc/64/05/17/591640517.db2.gz OVHGAODRIAPGQM-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000883389981 591641328 /nfs/dbraw/zinc/64/13/28/591641328.db2.gz CKFAIRJMSQNWPM-GXFFZTMASA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000883390262 591641730 /nfs/dbraw/zinc/64/17/30/591641730.db2.gz IRIDDLMBNUVSJD-RYUDHWBXSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000883391131 591642348 /nfs/dbraw/zinc/64/23/48/591642348.db2.gz CUVNRFCEXOIHOO-MGPQQGTHSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000883390530 591642386 /nfs/dbraw/zinc/64/23/86/591642386.db2.gz OETYNHHCLUGDDP-WFASDCNBSA-N 1 0 249.354 2.157 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CCC1CC1 ZINC000883391136 591642749 /nfs/dbraw/zinc/64/27/49/591642749.db2.gz CUXMQAHEAKQOLE-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000883390584 591642842 /nfs/dbraw/zinc/64/28/42/591642842.db2.gz PLMZKVSXEOUIDW-CMPLNLGQSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CC1CCOCC1 ZINC000883390663 591643037 /nfs/dbraw/zinc/64/30/37/591643037.db2.gz RBTCXBOVDZGYRW-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000883391469 591643663 /nfs/dbraw/zinc/64/36/63/591643663.db2.gz LHSXLUBHFSWKSM-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCC(C)(C)C1 ZINC000883391471 591643771 /nfs/dbraw/zinc/64/37/71/591643771.db2.gz LHSXLUBHFSWKSM-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883392159 591643965 /nfs/dbraw/zinc/64/39/65/591643965.db2.gz BEQCWKSIMVQPAX-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCc2cccnc21 ZINC000883391504 591644033 /nfs/dbraw/zinc/64/40/33/591644033.db2.gz MAUVNNJDPJHUHX-KGLIPLIRSA-N 1 0 246.354 2.376 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000883392623 591645061 /nfs/dbraw/zinc/64/50/61/591645061.db2.gz LHMQNYARCOOMME-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)c1ccncc1 ZINC000883392639 591645196 /nfs/dbraw/zinc/64/51/96/591645196.db2.gz LQYKANMIBIMNHB-KBPBESRZSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](COC)CC(C)(C)C ZINC000883392332 591645280 /nfs/dbraw/zinc/64/52/80/591645280.db2.gz FOLWQITWGZVVOQ-QWHCGFSZSA-N 1 0 243.391 2.354 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000883400134 591647548 /nfs/dbraw/zinc/64/75/48/591647548.db2.gz FLXACLJCELEMEV-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)nc1 ZINC000883400654 591647643 /nfs/dbraw/zinc/64/76/43/591647643.db2.gz RYGADVXLDRLYST-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OC)cc1 ZINC000883401294 591649131 /nfs/dbraw/zinc/64/91/31/591649131.db2.gz JECTYVPDQPOJOA-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H](C)O)cc1 ZINC000132371710 591705941 /nfs/dbraw/zinc/70/59/41/591705941.db2.gz SRGHCLKKZZGOJX-GHMZBOCLSA-N 1 0 249.358 2.308 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@H](OCCCC)C1(C)C ZINC000132682625 591730947 /nfs/dbraw/zinc/73/09/47/591730947.db2.gz IBLHPRLRKXZZNK-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCOC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000132504691 591715443 /nfs/dbraw/zinc/71/54/43/591715443.db2.gz KLCNNZUCBFJXHR-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000884006374 591794541 /nfs/dbraw/zinc/79/45/41/591794541.db2.gz PGAMRBBMBAGFHH-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000884026358 591809009 /nfs/dbraw/zinc/80/90/09/591809009.db2.gz AVMMTYDIWFILSD-ZDUSSCGKSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000884033923 591816602 /nfs/dbraw/zinc/81/66/02/591816602.db2.gz VXKAUXLKMXUKOY-VXGBXAGGSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC([NH3+])(CC)CC ZINC000884038969 591820779 /nfs/dbraw/zinc/82/07/79/591820779.db2.gz ABUXDSMDOARSGM-UHFFFAOYSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000884040938 591823466 /nfs/dbraw/zinc/82/34/66/591823466.db2.gz HNGVFAGGDWPXAF-GFCCVEGCSA-N 1 0 240.391 2.421 20 30 BEEDRO C=CCCCC(=O)OCCC[NH+]1CCCC1 ZINC000800177406 591832691 /nfs/dbraw/zinc/83/26/91/591832691.db2.gz FFYNHTZYNQRYES-UHFFFAOYSA-N 1 0 225.332 2.372 20 30 BEEDRO C#CCC(C)(C)C(=O)OCCC[NH+]1CCCC1 ZINC000800202615 591838030 /nfs/dbraw/zinc/83/80/30/591838030.db2.gz CUTNVMAFRZOTAY-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCCC(=O)OCCC[NH+]1CCCCC1 ZINC000800214420 591841192 /nfs/dbraw/zinc/84/11/92/591841192.db2.gz LIOAOEPMFZDANU-UHFFFAOYSA-N 1 0 237.343 2.209 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCCCCC[NH3+] ZINC000884375117 591919397 /nfs/dbraw/zinc/91/93/97/591919397.db2.gz NINNRGAPUPFACN-UHFFFAOYSA-N 1 0 226.364 2.224 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(C)cn1 ZINC000134410308 591925963 /nfs/dbraw/zinc/92/59/63/591925963.db2.gz JWQHIUWITIAMQN-UHFFFAOYSA-N 1 0 202.301 2.283 20 30 BEEDRO C[C@@H]1CNC(NN=C2CC(C)(C)CC[C@H]2C)=[NH+]1 ZINC000884448094 591937335 /nfs/dbraw/zinc/93/73/35/591937335.db2.gz RIMPAHNZPAOOAA-NXEZZACHSA-N 1 0 236.363 2.126 20 30 BEEDRO C=CC(C)(C)CC(=O)NC1(C[NH3+])CCCCC1 ZINC000884465122 591943058 /nfs/dbraw/zinc/94/30/58/591943058.db2.gz NWQDDFJKCNXWNR-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@@H](C3CC3)CC2=O)CC1 ZINC000134772398 591949801 /nfs/dbraw/zinc/94/98/01/591949801.db2.gz KGQBLIZPJXIZIM-AWEZNQCLSA-N 1 0 248.370 2.100 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000215726115 591981445 /nfs/dbraw/zinc/98/14/45/591981445.db2.gz AFOZFAJRJPHYAF-SECBINFHSA-N 1 0 248.164 2.442 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885942510 592111664 /nfs/dbraw/zinc/11/16/64/592111664.db2.gz OYJLOJNAMBIQFH-STQMWFEESA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)CC[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885959712 592115425 /nfs/dbraw/zinc/11/54/25/592115425.db2.gz BQBMMKKTKMJKHG-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C(C)C ZINC000885964024 592116510 /nfs/dbraw/zinc/11/65/10/592116510.db2.gz VKCYVJNSVBCOPE-LBPRGKRZSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886005919 592128249 /nfs/dbraw/zinc/12/82/49/592128249.db2.gz LLKZTVKTDWQGIG-KBPBESRZSA-N 1 0 221.344 2.311 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC3(CCC3)C2)CCC1 ZINC000886038815 592138297 /nfs/dbraw/zinc/13/82/97/592138297.db2.gz BLEPRMGYGYZWSX-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886062647 592141959 /nfs/dbraw/zinc/14/19/59/592141959.db2.gz TYHBSWWRHNMNLJ-ZBKLQPJUSA-N 1 0 235.302 2.366 20 30 BEEDRO C#CCCN1CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886092052 592146739 /nfs/dbraw/zinc/14/67/39/592146739.db2.gz MRQWVWSQUPRWAV-CVEARBPZSA-N 1 0 246.398 2.064 20 30 BEEDRO Cc1coc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000886102504 592155621 /nfs/dbraw/zinc/15/56/21/592155621.db2.gz ITBIVSPRYIAFAQ-UHFFFAOYSA-N 1 0 204.273 2.372 20 30 BEEDRO C=CCCSCC[NH2+]Cc1[nH]nc(C)c1C ZINC000886158261 592165465 /nfs/dbraw/zinc/16/54/65/592165465.db2.gz VLTXCDCQGWJJLQ-UHFFFAOYSA-N 1 0 239.388 2.425 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886168446 592167596 /nfs/dbraw/zinc/16/75/96/592167596.db2.gz QZXZXSMPVONKKI-KBPBESRZSA-N 1 0 239.359 2.078 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H](C)COCc1ccccc1 ZINC000886166150 592168116 /nfs/dbraw/zinc/16/81/16/592168116.db2.gz AGKABTKKHYSSAT-CQSZACIVSA-N 1 0 231.339 2.404 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2csc(C)c2)C1 ZINC000886209451 592176831 /nfs/dbraw/zinc/17/68/31/592176831.db2.gz NBRYPVKBZJHVFO-CQSZACIVSA-N 1 0 248.395 2.244 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2sccc2C)C1 ZINC000886213484 592178471 /nfs/dbraw/zinc/17/84/71/592178471.db2.gz UNVJNHSZGZGPLZ-ZDUSSCGKSA-N 1 0 248.395 2.244 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000886213374 592178540 /nfs/dbraw/zinc/17/85/40/592178540.db2.gz RONYZZFKTZGUSP-INIZCTEOSA-N 1 0 242.366 2.182 20 30 BEEDRO CN(C[C@H]1CC[C@H](C2CC2)O1)CC(C)(C)C#N ZINC000886217609 592178741 /nfs/dbraw/zinc/17/87/41/592178741.db2.gz DFUFSTLQJLGMMC-CHWSQXEVSA-N 1 0 236.359 2.426 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000886228885 592181143 /nfs/dbraw/zinc/18/11/43/592181143.db2.gz HKEMGILZJJGUQV-NEPJUHHUSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886265508 592190340 /nfs/dbraw/zinc/19/03/40/592190340.db2.gz KMMCHSCZKMJBSC-RBSFLKMASA-N 1 0 233.355 2.148 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC(=C)Br)C1 ZINC000886355931 592215865 /nfs/dbraw/zinc/21/58/65/592215865.db2.gz QGXCJWZGJPLAKP-SNVBAGLBSA-N 1 0 228.133 2.240 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000886355876 592215874 /nfs/dbraw/zinc/21/58/74/592215874.db2.gz OWJKCFVKMKKIAS-QWRGUYRKSA-N 1 0 233.315 2.038 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000886357412 592215928 /nfs/dbraw/zinc/21/59/28/592215928.db2.gz GMCRTCBVDWWKNJ-ZDUSSCGKSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000886356073 592216031 /nfs/dbraw/zinc/21/60/31/592216031.db2.gz STEWVLFZXRKLOB-ZFWWWQNUSA-N 1 0 229.323 2.065 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ncc(CC)o2)C1 ZINC000886358506 592217162 /nfs/dbraw/zinc/21/71/62/592217162.db2.gz VYHILFQMOOGIAQ-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCc2c(C)noc2C)C1 ZINC000886362507 592217738 /nfs/dbraw/zinc/21/77/38/592217738.db2.gz AGISWKMFJKJBCO-ZDUSSCGKSA-N 1 0 232.327 2.179 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000886365696 592219172 /nfs/dbraw/zinc/21/91/72/592219172.db2.gz NZEOUWVCOVCXKW-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC000886365253 592219282 /nfs/dbraw/zinc/21/92/82/592219282.db2.gz DQOLLRRKHPUZFF-CHWSQXEVSA-N 1 0 229.327 2.191 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000886365300 592219555 /nfs/dbraw/zinc/21/95/55/592219555.db2.gz FPYFQBAHUHCQMY-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC2(Br)CC2)C1 ZINC000886365324 592219668 /nfs/dbraw/zinc/21/96/68/592219668.db2.gz FWNOYHRTRRHLRM-SNVBAGLBSA-N 1 0 242.160 2.259 20 30 BEEDRO C#CC[C@@H]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000886365685 592219730 /nfs/dbraw/zinc/21/97/30/592219730.db2.gz NSJQZYKRBZEOOK-BZUAXINKSA-N 1 0 248.414 2.310 20 30 BEEDRO C=CCCC[C@H](COc1ccccc1)[NH2+]CCO ZINC000886491838 592237106 /nfs/dbraw/zinc/23/71/06/592237106.db2.gz SQCLRXZSRZRBFF-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886539062 592251946 /nfs/dbraw/zinc/25/19/46/592251946.db2.gz SJTVMRNARGGLNU-UWVGGRQHSA-N 1 0 234.299 2.093 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCc2cccnc21 ZINC000886620929 592277120 /nfs/dbraw/zinc/27/71/20/592277120.db2.gz WLUNNUDVRKINSE-MCIONIFRSA-N 1 0 244.338 2.392 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886619304 592277161 /nfs/dbraw/zinc/27/71/61/592277161.db2.gz YWQFVHGZWCUUIV-MNOVXSKESA-N 1 0 225.332 2.130 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886621959 592279762 /nfs/dbraw/zinc/27/97/62/592279762.db2.gz HARWONIFJBPQRH-NSHDSACASA-N 1 0 248.326 2.485 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000886650241 592288719 /nfs/dbraw/zinc/28/87/19/592288719.db2.gz SFRIMXSLOAIKRA-SYQHCUMBSA-N 1 0 249.354 2.110 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCCC23CC3)C1 ZINC000886664737 592294215 /nfs/dbraw/zinc/29/42/15/592294215.db2.gz WMCJGSCAWXSFOU-UONOGXRCSA-N 1 0 232.371 2.006 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)CCC=C)C1 ZINC000886662274 592294251 /nfs/dbraw/zinc/29/42/51/592294251.db2.gz ARNCTMRZKJECSR-KBPBESRZSA-N 1 0 220.360 2.028 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000886663049 592294702 /nfs/dbraw/zinc/29/47/02/592294702.db2.gz RWTOTSFDTYTOHH-GJZGRUSLSA-N 1 0 246.398 2.396 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC[C@H]2C(C)C)C1 ZINC000886663171 592294901 /nfs/dbraw/zinc/29/49/01/592294901.db2.gz VAKDREARUDVBCI-KKUMJFAQSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@]32C)C1 ZINC000886662970 592295188 /nfs/dbraw/zinc/29/51/88/592295188.db2.gz QOGWYRPWADKEJO-CAOSSQGBSA-N 1 0 246.398 2.252 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886668307 592296629 /nfs/dbraw/zinc/29/66/29/592296629.db2.gz QIBJMZGURQEIBR-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686921 592303936 /nfs/dbraw/zinc/30/39/36/592303936.db2.gz ZXZGEMOHQZJHPU-KBPBESRZSA-N 1 0 243.354 2.458 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000886727181 592312466 /nfs/dbraw/zinc/31/24/66/592312466.db2.gz KTVDYDOFQONBKZ-YNEHKIRRSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC1(O)CC[NH+](C[Si](C)(C)C)CC1 ZINC000886764687 592317554 /nfs/dbraw/zinc/31/75/54/592317554.db2.gz YOMFAHSKOKHXIH-UHFFFAOYSA-N 1 0 227.424 2.267 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000886778834 592319830 /nfs/dbraw/zinc/31/98/30/592319830.db2.gz XFJZMHFORRVDPN-CHWSQXEVSA-N 1 0 234.343 2.082 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000886789465 592322475 /nfs/dbraw/zinc/32/24/75/592322475.db2.gz VMBWDDMGUXQZMB-MJBXVCDLSA-N 1 0 241.375 2.372 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)o1 ZINC000886815427 592335863 /nfs/dbraw/zinc/33/58/63/592335863.db2.gz DKLILAFEFHVGKT-FZMZJTMJSA-N 1 0 246.310 2.152 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886815594 592337514 /nfs/dbraw/zinc/33/75/14/592337514.db2.gz GLFVDGBWOTVUKU-QWRGUYRKSA-N 1 0 215.724 2.240 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886815592 592338227 /nfs/dbraw/zinc/33/82/27/592338227.db2.gz GLFVDGBWOTVUKU-GHMZBOCLSA-N 1 0 215.724 2.240 20 30 BEEDRO C#CCC1([NH2+]CCc2cccs2)CCOCC1 ZINC000887124870 592447194 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/nfs/dbraw/zinc/52/76/26/634527626.db2.gz QWNNMWYPEHJMTM-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C[C@]1(C2CCCCC2)CC[N@@H+]1C[C@H](O)CC#N ZINC000931571868 634602117 /nfs/dbraw/zinc/60/21/17/634602117.db2.gz WVIHMEIFEZOLPO-ZIAGYGMSSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H](C#N)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000893543046 634610230 /nfs/dbraw/zinc/61/02/30/634610230.db2.gz PLRCHMRWIGVRBI-DGCLKSJQSA-N 1 0 214.312 2.466 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001027658962 634611730 /nfs/dbraw/zinc/61/17/30/634611730.db2.gz YFDADRCQWQOWGZ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000981918073 635422383 /nfs/dbraw/zinc/42/23/83/635422383.db2.gz OXMBVRANFYKUQI-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO CC1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CCC1 ZINC000232905705 635521821 /nfs/dbraw/zinc/52/18/21/635521821.db2.gz QOMJXARBTCMDAK-AWEZNQCLSA-N 1 0 244.338 2.371 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)c2cccc(F)c2)CCC1 ZINC000933301581 631216096 /nfs/dbraw/zinc/21/60/96/631216096.db2.gz QNXYGKUJXRKXSF-CQSZACIVSA-N 1 0 247.313 2.395 20 30 BEEDRO C#CCC1([NH2+]C[C@H](O)c2cccc(F)c2)CCC1 ZINC000933301580 631216312 /nfs/dbraw/zinc/21/63/12/631216312.db2.gz QNXYGKUJXRKXSF-AWEZNQCLSA-N 1 0 247.313 2.395 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000069767813 631278237 /nfs/dbraw/zinc/27/82/37/631278237.db2.gz CJNXKMFAJGVMKR-JTQLQIEISA-N 1 0 219.284 2.075 20 30 BEEDRO CCCC(N)=[NH+]OCCSC(C)C ZINC000308377696 631314182 /nfs/dbraw/zinc/31/41/82/631314182.db2.gz TUTQKPLDOYODJC-UHFFFAOYSA-N 1 0 204.339 2.217 20 30 BEEDRO C#CCCCCC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933380925 631344726 /nfs/dbraw/zinc/34/47/26/631344726.db2.gz BJGFLMBPBDBNNL-DZGCQCFKSA-N 1 0 233.355 2.481 20 30 BEEDRO C=CCCC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391822 631356255 /nfs/dbraw/zinc/35/62/55/631356255.db2.gz HBFUPLVWCPBURN-WCQYABFASA-N 1 0 207.317 2.254 20 30 BEEDRO CCCC[N@H+](CCO)Cc1csc(C#N)c1 ZINC000891458437 631370094 /nfs/dbraw/zinc/37/00/94/631370094.db2.gz WDRJLBRTKBQYSH-UHFFFAOYSA-N 1 0 238.356 2.214 20 30 BEEDRO C#CCCC[NH2+][C@](C)(CO)Cc1ccccc1F ZINC000933432701 631376792 /nfs/dbraw/zinc/37/67/92/631376792.db2.gz WPJLKWQCSGHFLN-HNNXBMFYSA-N 1 0 249.329 2.122 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1cccs1 ZINC000308779831 631384571 /nfs/dbraw/zinc/38/45/71/631384571.db2.gz CFMPBUFWVQVNMM-NXEZZACHSA-N 1 0 224.329 2.327 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCCC[C@H]1C ZINC000308780813 631386944 /nfs/dbraw/zinc/38/69/44/631386944.db2.gz COUYJCKMRSWPOF-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO COC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000891537489 631389397 /nfs/dbraw/zinc/38/93/97/631389397.db2.gz STUYXUAPMCEYGR-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO CC(C)(C)OCC[NH2+]CC#Cc1ccccc1 ZINC000308510156 631409466 /nfs/dbraw/zinc/40/94/66/631409466.db2.gz CIHPYYJEYGJQAH-UHFFFAOYSA-N 1 0 231.339 2.443 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+][C@H]3CC[C@@H](C#N)C3)C2)CO1 ZINC000926201896 631414740 /nfs/dbraw/zinc/41/47/40/631414740.db2.gz HRAHAYWMPLKIOQ-BFKVFCTQSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933569031 631420352 /nfs/dbraw/zinc/42/03/52/631420352.db2.gz UMJHOOFGDYGFQL-GFCCVEGCSA-N 1 0 235.331 2.209 20 30 BEEDRO O=C1C=COC2(CC[NH+](CC3CCC3)CC2)C1 ZINC000933643628 631470370 /nfs/dbraw/zinc/47/03/70/631470370.db2.gz BFDFLZWBXMDTKL-UHFFFAOYSA-N 1 0 235.327 2.124 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000308698650 631529694 /nfs/dbraw/zinc/52/96/94/631529694.db2.gz HNMHAZKUNDZAKN-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO C#CCCCCC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933894514 631545741 /nfs/dbraw/zinc/54/57/41/631545741.db2.gz BOXNKEQOYVQKGL-ZDUSSCGKSA-N 1 0 237.343 2.017 20 30 BEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H]1CO ZINC000934028478 631625278 /nfs/dbraw/zinc/62/52/78/631625278.db2.gz VGIRNQXLBJOTGM-CYBMUJFWSA-N 1 0 244.338 2.054 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894121846 635677337 /nfs/dbraw/zinc/67/73/37/635677337.db2.gz YPTPQVXIGZYCAM-RYUDHWBXSA-N 1 0 243.322 2.176 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001022549428 631681436 /nfs/dbraw/zinc/68/14/36/631681436.db2.gz OOOJXVAHXKGTTM-MCIONIFRSA-N 1 0 248.370 2.156 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccsc1)[C@H]1CCCO1 ZINC000308840300 631691118 /nfs/dbraw/zinc/69/11/18/631691118.db2.gz NEZBYHMQUCHFQY-VXGBXAGGSA-N 1 0 221.325 2.019 20 30 BEEDRO CSCCO[NH+]=C(C)c1ccc(N)cc1 ZINC000308867487 631697199 /nfs/dbraw/zinc/69/71/99/631697199.db2.gz XMJJHBSFBNKRTM-UHFFFAOYSA-N 1 0 224.329 2.372 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(SC)C1 ZINC000926344900 631719025 /nfs/dbraw/zinc/71/90/25/631719025.db2.gz ZGBZLIDYVMEFAV-WTIISPKJSA-N 1 0 241.400 2.451 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000308919938 631721641 /nfs/dbraw/zinc/72/16/41/631721641.db2.gz GUCBJLXLVQCQSB-TUAOUCFPSA-N 1 0 209.333 2.049 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CC(C(F)F)C2)C1 ZINC000308910576 631724821 /nfs/dbraw/zinc/72/48/21/631724821.db2.gz GBXZXZUOCGYKCL-QGVKSAJWSA-N 1 0 214.259 2.312 20 30 BEEDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000926346781 631725654 /nfs/dbraw/zinc/72/56/54/631725654.db2.gz WOSDHHSXDGLPNE-OLZOCXBDSA-N 1 0 236.359 2.331 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934232926 631738498 /nfs/dbraw/zinc/73/84/98/631738498.db2.gz GXQFYZPWHZLUMB-CHWSQXEVSA-N 1 0 216.328 2.404 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000308955394 631754933 /nfs/dbraw/zinc/75/49/33/631754933.db2.gz XBJKKHWIEHNNJD-OUAUKWLOSA-N 1 0 242.413 2.259 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC000972074291 631757874 /nfs/dbraw/zinc/75/78/74/631757874.db2.gz ZCLIZLKYPRGSLL-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCSC[C@H]1C ZINC000934298745 631763444 /nfs/dbraw/zinc/76/34/44/631763444.db2.gz BIRHAQHTQYYWHM-NEPJUHHUSA-N 1 0 229.389 2.141 20 30 BEEDRO C#CCCC[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000308968273 631773172 /nfs/dbraw/zinc/77/31/72/631773172.db2.gz XJBWYAGYNIRZNQ-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934332690 631787004 /nfs/dbraw/zinc/78/70/04/631787004.db2.gz KWZNTYAMLFWBNL-LLVKDONJSA-N 1 0 220.341 2.031 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000309017442 631801886 /nfs/dbraw/zinc/80/18/86/631801886.db2.gz VCXMFZNEZHXRAT-WYGGZMRJSA-N 1 0 203.260 2.450 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000309021164 631802471 /nfs/dbraw/zinc/80/24/71/631802471.db2.gz XBNPDSGINBIQCY-AVGNSLFASA-N 1 0 204.317 2.316 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)C(F)(F)F ZINC000309030011 631804287 /nfs/dbraw/zinc/80/42/87/631804287.db2.gz DANYSPYGMGQXEE-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO C#C[C@H]1CCCN(c2cc[nH+]c(CC)c2)C1 ZINC000848751915 631810596 /nfs/dbraw/zinc/81/05/96/631810596.db2.gz WKZQILRDOYIYHE-LBPRGKRZSA-N 1 0 214.312 2.494 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOC12CCOCC2 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C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@H]1C ZINC000309148856 631910049 /nfs/dbraw/zinc/91/00/49/631910049.db2.gz VVICKYSBMKFPAR-NDBYEHHHSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000308888921 632089933 /nfs/dbraw/zinc/08/99/33/632089933.db2.gz VMGTWOORIUJFCE-UHFFFAOYSA-N 1 0 221.691 2.405 20 30 BEEDRO C[C@@]1(Br)C[C@@H]1C[NH2+]CC1(C#N)CC1 ZINC000894203278 635747089 /nfs/dbraw/zinc/74/70/89/635747089.db2.gz FKMXRXPFISEERE-RKDXNWHRSA-N 1 0 243.148 2.053 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(C)nc1 ZINC000156222402 632128337 /nfs/dbraw/zinc/12/83/37/632128337.db2.gz FQIGSUSNUDMGOM-UHFFFAOYSA-N 1 0 202.301 2.283 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000338544320 635766561 /nfs/dbraw/zinc/76/65/61/635766561.db2.gz MBMWHOUFLBXLAT-LBPRGKRZSA-N 1 0 219.332 2.176 20 30 BEEDRO C=CCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000161719212 632391025 /nfs/dbraw/zinc/39/10/25/632391025.db2.gz LWUMZFAJUMQOOX-UHFFFAOYSA-N 1 0 240.347 2.208 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000161724119 632393785 /nfs/dbraw/zinc/39/37/85/632393785.db2.gz TXTNTFYJERDDJF-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C[C@H]1COC[C@H](C)C1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926512788 632413602 /nfs/dbraw/zinc/41/36/02/632413602.db2.gz OJLMESVQFHJGOB-CYDGBPFRSA-N 1 0 236.359 2.329 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000309513576 632433479 /nfs/dbraw/zinc/43/34/79/632433479.db2.gz QLJCPMPMWZNFPE-VHSXEESVSA-N 1 0 219.263 2.003 20 30 BEEDRO CCCC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CC1(C)C ZINC000841634602 632441555 /nfs/dbraw/zinc/44/15/55/632441555.db2.gz VDNZPMZCDLCPJF-ZJUUUORDSA-N 1 0 236.363 2.126 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000168258562 632456901 /nfs/dbraw/zinc/45/69/01/632456901.db2.gz FCXPGLIDRDVBNY-NXEZZACHSA-N 1 0 248.164 2.442 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000926536808 632459171 /nfs/dbraw/zinc/45/91/71/632459171.db2.gz PFCRHVIXFLZKCG-NWDGAFQWSA-N 1 0 248.374 2.269 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000158447735 632471142 /nfs/dbraw/zinc/47/11/42/632471142.db2.gz SEAGTFIIONJRDP-CYBMUJFWSA-N 1 0 239.265 2.001 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926544388 632472198 /nfs/dbraw/zinc/47/21/98/632472198.db2.gz BDVLORGMQSLCGH-BFHYXJOUSA-N 1 0 243.391 2.233 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)c1 ZINC000926552287 632487385 /nfs/dbraw/zinc/48/73/85/632487385.db2.gz TWXAEIKSGFOCPK-TYNCELHUSA-N 1 0 229.323 2.181 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1cccs1)[C@H]1CCCO1 ZINC000309591059 632550290 /nfs/dbraw/zinc/55/02/90/632550290.db2.gz ZGNRMAJXEJPYHG-CHWSQXEVSA-N 1 0 235.352 2.061 20 30 BEEDRO C#CCOCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000309105575 632639576 /nfs/dbraw/zinc/63/95/76/632639576.db2.gz HSEMAGYMXHPIDO-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000309720194 632655509 /nfs/dbraw/zinc/65/55/09/632655509.db2.gz 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XMBKUQWMXFDOGD-UHFFFAOYSA-N 1 0 245.370 2.245 20 30 BEEDRO CC(C)[C@@H](C)CNC(=[NH2+])N1CCCCCC1 ZINC000177746835 632872545 /nfs/dbraw/zinc/87/25/45/632872545.db2.gz VYWXTVFLVYDJJF-LBPRGKRZSA-N 1 0 225.380 2.469 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000229677436 632986473 /nfs/dbraw/zinc/98/64/73/632986473.db2.gz SPKFTTFBCPCRAJ-AWEZNQCLSA-N 1 0 217.312 2.113 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(OCC)c1O ZINC000229893406 632999909 /nfs/dbraw/zinc/99/99/09/632999909.db2.gz VHTQCHFLLAGYCB-GFCCVEGCSA-N 1 0 233.311 2.292 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H](CCO)C1CC1 ZINC000309388612 633005795 /nfs/dbraw/zinc/00/57/95/633005795.db2.gz TXZUKWYSNRHCIM-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001006975859 635881029 /nfs/dbraw/zinc/88/10/29/635881029.db2.gz IEJQRLVRSOGSNF-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000926785072 633063480 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/nfs/dbraw/zinc/91/92/49/635919249.db2.gz WEISVBRPYMFQGH-ZDUSSCGKSA-N 1 0 247.338 2.457 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccnc2F)C1 ZINC000309573807 633201819 /nfs/dbraw/zinc/20/18/19/633201819.db2.gz NWOHMTLRQGFHDO-KOLCDFICSA-N 1 0 219.263 2.003 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)n3ncnc32)CC1 ZINC000926839953 633206267 /nfs/dbraw/zinc/20/62/67/633206267.db2.gz OJKWPKZKXJZMLX-ZDEQEGDKSA-N 1 0 244.342 2.066 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000171801530 633211477 /nfs/dbraw/zinc/21/14/77/633211477.db2.gz MMYDKHHMHPFIDF-DGCLKSJQSA-N 1 0 245.370 2.419 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)[C@H]1CCCO1 ZINC000309731227 633234330 /nfs/dbraw/zinc/23/43/30/633234330.db2.gz BFAODVXMFMUXES-FRRDWIJNSA-N 1 0 221.344 2.336 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC2(CCCC2)C1 ZINC000304248407 635938928 /nfs/dbraw/zinc/93/89/28/635938928.db2.gz QCXYJTHCWAXDHD-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)Cc1cccs1 ZINC000304290679 635939364 /nfs/dbraw/zinc/93/93/64/635939364.db2.gz YXGMGDXAXPWRCP-LLVKDONJSA-N 1 0 238.356 2.499 20 30 BEEDRO C[C@H](C#N)OCC[NH+](CC1CC1)CC1CC1 ZINC000304240501 635939553 /nfs/dbraw/zinc/93/95/53/635939553.db2.gz NRHDQNSKOCJIBE-LLVKDONJSA-N 1 0 222.332 2.037 20 30 BEEDRO Brc1cnn(N=C2CCCC2)c1 ZINC000306515775 635969221 /nfs/dbraw/zinc/96/92/21/635969221.db2.gz WXNCUDIUPABHGU-UHFFFAOYSA-N 1 0 228.093 2.424 20 30 BEEDRO CCOc1cccc(C[NH2+]C[C@H](C)C#N)c1O ZINC000054179491 636046562 /nfs/dbraw/zinc/04/65/62/636046562.db2.gz BLUXTFKDALFOPC-SNVBAGLBSA-N 1 0 234.299 2.040 20 30 BEEDRO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157757 636099742 /nfs/dbraw/zinc/09/97/42/636099742.db2.gz FMCKSUWGZUWFOO-QJPTWQEYSA-N 1 0 242.363 2.171 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895389367 636141364 /nfs/dbraw/zinc/14/13/64/636141364.db2.gz DDVTYRNOGKLKGI-LBPRGKRZSA-N 1 0 231.343 2.378 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000320194441 636129882 /nfs/dbraw/zinc/12/98/82/636129882.db2.gz BSAMOCTWDWVWFT-CHWSQXEVSA-N 1 0 247.338 2.296 20 30 BEEDRO CC[C@H]1CN(C)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930585778 633911891 /nfs/dbraw/zinc/91/18/91/633911891.db2.gz KOYWZJZXBMRVNB-NRXISQOPSA-N 1 0 249.402 2.342 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000309520892 633943948 /nfs/dbraw/zinc/94/39/48/633943948.db2.gz UCJLHYGQVROTCY-UHFFFAOYSA-N 1 0 219.263 2.004 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccnc1Cl ZINC000309596504 633963065 /nfs/dbraw/zinc/96/30/65/633963065.db2.gz USRRNUVOYDOMLZ-SNVBAGLBSA-N 1 0 240.734 2.009 20 30 BEEDRO CC(C)CC(C)(C)CNC(=[NH2+])NC1CC1 ZINC000081524641 633964902 /nfs/dbraw/zinc/96/49/02/633964902.db2.gz DCSQPOKIDUCLIS-UHFFFAOYSA-N 1 0 211.353 2.125 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC=C)[C@@H]1CCCO1 ZINC000309791464 634008142 /nfs/dbraw/zinc/00/81/42/634008142.db2.gz UNLUSMVBOBMNKL-MQYQWHSLSA-N 1 0 221.344 2.358 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H](C)CCCC ZINC000895489317 636149964 /nfs/dbraw/zinc/14/99/64/636149964.db2.gz BAUGOVGMNFBZGA-JHJVBQTASA-N 1 0 211.349 2.175 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC000930886049 634151740 /nfs/dbraw/zinc/15/17/40/634151740.db2.gz QIJLVOBKUFQJGJ-HOCLYGCPSA-N 1 0 243.350 2.374 20 30 BEEDRO C=C(C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000162451767 634160535 /nfs/dbraw/zinc/16/05/35/634160535.db2.gz SOTDXUJXJJWLLV-UHFFFAOYSA-N 1 0 203.289 2.298 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162568883 634200018 /nfs/dbraw/zinc/20/00/18/634200018.db2.gz NAMXCDMQUHYLIK-WDEREUQCSA-N 1 0 205.276 2.368 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000162569015 634201165 /nfs/dbraw/zinc/20/11/65/634201165.db2.gz NAMXCDMQUHYLIK-MNOVXSKESA-N 1 0 205.276 2.368 20 30 BEEDRO CC(C)C(C[NH+]=C(N(C)C)N(C)C)C(C)C ZINC000193861565 634295798 /nfs/dbraw/zinc/29/57/98/634295798.db2.gz QCRVHTVAESZIEG-UHFFFAOYSA-N 1 0 227.396 2.394 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000162773507 634355231 /nfs/dbraw/zinc/35/52/31/634355231.db2.gz IVPWLEIACMNYSX-STQMWFEESA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925697933 634361862 /nfs/dbraw/zinc/36/18/62/634361862.db2.gz PUGPMPXBZWOXFE-DGAVXFQQSA-N 1 0 221.344 2.115 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CC2CCC1CC2 ZINC000925699508 634367162 /nfs/dbraw/zinc/36/71/62/634367162.db2.gz WQCAYFSMTOZYIV-HHTDUIENSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001027752940 635135194 /nfs/dbraw/zinc/13/51/94/635135194.db2.gz JITGNEGBQBOSMY-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001027798543 635154694 /nfs/dbraw/zinc/15/46/94/635154694.db2.gz JYNVLVXVOQOABO-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1ccc(F)c(F)c1 ZINC000893567331 635166886 /nfs/dbraw/zinc/16/68/86/635166886.db2.gz LWBTYUAPWLEWLX-NSHDSACASA-N 1 0 241.281 2.034 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc(N)ccn1)C1CC1 ZINC000925772511 635213783 /nfs/dbraw/zinc/21/37/83/635213783.db2.gz SRBHKHKPUSHWFL-AWEZNQCLSA-N 1 0 231.343 2.498 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000893606424 635227014 /nfs/dbraw/zinc/22/70/14/635227014.db2.gz PCUHLMBRFYVCKB-QEHJDLSMSA-N 1 0 234.343 2.082 20 30 BEEDRO CC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925782135 635277698 /nfs/dbraw/zinc/27/76/98/635277698.db2.gz DEJBHICUZBDOJU-BYCMXARLSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccco2)C1 ZINC000980868466 635293450 /nfs/dbraw/zinc/29/34/50/635293450.db2.gz HJCIVHRAJRTBOG-NWDGAFQWSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CCC[N@@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000980901022 635296098 /nfs/dbraw/zinc/29/60/98/635296098.db2.gz JFSDDLYKBAQAGF-FPLPWBNLSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC000980913492 635299591 /nfs/dbraw/zinc/29/95/91/635299591.db2.gz BYFWSPHHXAFAHW-CHWSQXEVSA-N 1 0 248.326 2.096 20 30 BEEDRO Cc1ncoc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000260113939 635305908 /nfs/dbraw/zinc/30/59/08/635305908.db2.gz QNFMCWQEKOZHBH-NSHDSACASA-N 1 0 219.288 2.109 20 30 BEEDRO C=C(Br)C[N@H+]1CCCCC[C@@H]1CO ZINC000124825714 636023738 /nfs/dbraw/zinc/02/37/38/636023738.db2.gz PIJMQOBWORFPKS-SNVBAGLBSA-N 1 0 248.164 2.132 20 30 BEEDRO CCC(=NNC1=[NH+]C[C@H](C)N1)c1cccc(C)c1 ZINC000794928096 636124101 /nfs/dbraw/zinc/12/41/01/636124101.db2.gz SDFXJVZNANAPKT-NSHDSACASA-N 1 0 244.342 2.046 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)CCOC(C)C)C(C)C ZINC000788271622 636256213 /nfs/dbraw/zinc/25/62/13/636256213.db2.gz OHRFEIXESXFINO-ZDUSSCGKSA-N 1 0 229.364 2.059 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](CC)C1CCCC1 ZINC000320597489 636280565 /nfs/dbraw/zinc/28/05/65/636280565.db2.gz BWGIPMRMHCYZEJ-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C#CCCC[NH2+]Cc1c(CC)nn(C)c1CC ZINC000179093674 636312809 /nfs/dbraw/zinc/31/28/09/636312809.db2.gz BHKPCUVFNPWKHY-UHFFFAOYSA-N 1 0 233.359 2.048 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCCSCC(C)C ZINC000305290727 636328795 /nfs/dbraw/zinc/32/87/95/636328795.db2.gz HKWSHYSXMYCWKG-UHFFFAOYSA-N 1 0 245.436 2.422 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000925161189 636342685 /nfs/dbraw/zinc/34/26/85/636342685.db2.gz ISKICKVVESKKRP-UONOGXRCSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000342235176 636344105 /nfs/dbraw/zinc/34/41/05/636344105.db2.gz QDTMGSJAFFCGOO-NWDGAFQWSA-N 1 0 235.327 2.110 20 30 BEEDRO CCCCCCC[N@@H+]1CCC2(C1)OCCO2 ZINC000160698860 636487195 /nfs/dbraw/zinc/48/71/95/636487195.db2.gz VHJRVBVPQFQAML-UHFFFAOYSA-N 1 0 227.348 2.406 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C\C2CC2)[C@@H]1C ZINC000986099528 636503570 /nfs/dbraw/zinc/50/35/70/636503570.db2.gz FHSPVSCUINELPX-PFBXESSKSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)[C@H]1C ZINC000986153334 636534704 /nfs/dbraw/zinc/53/47/04/636534704.db2.gz WJCJFNCWBPTDSP-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000321075814 636556555 /nfs/dbraw/zinc/55/65/55/636556555.db2.gz AWKKXGGEOUJDSX-RYUDHWBXSA-N 1 0 235.327 2.370 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000872105781 636566019 /nfs/dbraw/zinc/56/60/19/636566019.db2.gz LYQCEVXPDRGIPA-UPJWGTAASA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]NCC1(C)CCCC1 ZINC000872376870 636583463 /nfs/dbraw/zinc/58/34/63/636583463.db2.gz UEDCHQWHRQBZRS-UHFFFAOYSA-N 1 0 246.358 2.476 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000321410960 636646865 /nfs/dbraw/zinc/64/68/65/636646865.db2.gz JGLFNKASYBMRFT-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C[NH+]=C(NCc1ccc(F)cc1)NC(C)(C)C ZINC000103895268 636671293 /nfs/dbraw/zinc/67/12/93/636671293.db2.gz CVBXZDJOHOFPAU-UHFFFAOYSA-N 1 0 237.322 2.289 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccccc2)C1 ZINC000987852887 636671695 /nfs/dbraw/zinc/67/16/95/636671695.db2.gz FEQNGAQEIXFECZ-OCCSQVGLSA-N 1 0 244.338 2.065 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)/C=C(/C)C2CC2)C1 ZINC000988203121 636682800 /nfs/dbraw/zinc/68/28/00/636682800.db2.gz UILUKHKGERCONM-CTFRTPTRSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C(C)=C/C)C1 ZINC000988513920 636733145 /nfs/dbraw/zinc/73/31/45/636733145.db2.gz PFAMMPODLNNMDG-WXYBXBMJSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)/C(C)=C/C)C1 ZINC000988513915 636733258 /nfs/dbraw/zinc/73/32/58/636733258.db2.gz PFAMMPODLNNMDG-OAIDTJHVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988582293 636740143 /nfs/dbraw/zinc/74/01/43/636740143.db2.gz AXPCJJWQQUXGBV-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000321983789 636788151 /nfs/dbraw/zinc/78/81/51/636788151.db2.gz CZHGKGCHJJPQFR-SDDRHHMPSA-N 1 0 211.374 2.377 20 30 BEEDRO CCCCCCCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000925303758 636805867 /nfs/dbraw/zinc/80/58/67/636805867.db2.gz PUHDJIRXGQUGHT-GFCCVEGCSA-N 1 0 240.391 2.461 20 30 BEEDRO C[NH+]=C(NCCc1ccccc1)NC(C)(C)C ZINC000264172397 636810615 /nfs/dbraw/zinc/81/06/15/636810615.db2.gz ZHIVBORTDAJIDA-UHFFFAOYSA-N 1 0 233.359 2.193 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897649909 636831927 /nfs/dbraw/zinc/83/19/27/636831927.db2.gz CRTWENYZAPAULP-NEPJUHHUSA-N 1 0 238.375 2.330 20 30 BEEDRO Cc1cc(C[NH2+]C2CC(CCO)C2)ccc1C#N ZINC000898011631 636851305 /nfs/dbraw/zinc/85/13/05/636851305.db2.gz ROOVNCCULACRBU-UHFFFAOYSA-N 1 0 244.338 2.117 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1 ZINC000929158986 636858954 /nfs/dbraw/zinc/85/89/54/636858954.db2.gz HABRNIYNOJTRJS-ZIAGYGMSSA-N 1 0 248.301 2.237 20 30 BEEDRO C=CCC[N@@H+]1CC[C@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC000989892008 636890707 /nfs/dbraw/zinc/89/07/07/636890707.db2.gz DFLDDHHREPSRLB-DZGCQCFKSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC3)CCC[C@H]12 ZINC000989887517 636890861 /nfs/dbraw/zinc/89/08/61/636890861.db2.gz HLYMYQZTBPLZNL-ZFWWWQNUSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)C2CC=CC2)CC1 ZINC000990479890 636951583 /nfs/dbraw/zinc/95/15/83/636951583.db2.gz SFBYJSMQBUDADQ-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2([C@@H]3CCCCO3)CC2)C1 ZINC000927161261 637071321 /nfs/dbraw/zinc/07/13/21/637071321.db2.gz PKDLJJKEIKCVKP-UPJWGTAASA-N 1 0 234.343 2.370 20 30 BEEDRO CC(C)[NH+](Cc1cn(CCCC#N)nn1)C(C)C ZINC000899699981 637117713 /nfs/dbraw/zinc/11/77/13/637117713.db2.gz VZFGMWYMJXEGBL-UHFFFAOYSA-N 1 0 249.362 2.201 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)nc1C ZINC000901012006 637222412 /nfs/dbraw/zinc/22/24/12/637222412.db2.gz IMBMQHNITVJTHI-UHFFFAOYSA-N 1 0 247.342 2.145 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903131912 637344268 /nfs/dbraw/zinc/34/42/68/637344268.db2.gz LFBGRLRAROGIQW-WFASDCNBSA-N 1 0 246.354 2.307 20 30 BEEDRO CN(Cc1cc(C#N)cs1)C[C@]1(C)CC[NH2+]C1 ZINC000904469005 637424160 /nfs/dbraw/zinc/42/41/60/637424160.db2.gz HTBNTRAWUZPEPM-CYBMUJFWSA-N 1 0 249.383 2.051 20 30 BEEDRO C=CCCc1noc([C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000904732402 637461168 /nfs/dbraw/zinc/46/11/68/637461168.db2.gz BVNDLPREFUKJHO-NXEZZACHSA-N 1 0 221.304 2.044 20 30 BEEDRO Cc1cccc([C@@H](O)C[NH2+]CCCCC#N)c1 ZINC000905093652 637631931 /nfs/dbraw/zinc/63/19/31/637631931.db2.gz MFBIEKLHFSLTFF-AWEZNQCLSA-N 1 0 232.327 2.312 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905169911 637679262 /nfs/dbraw/zinc/67/92/62/637679262.db2.gz PJXHUCMGLWFONP-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905169910 637680313 /nfs/dbraw/zinc/68/03/13/637680313.db2.gz PJXHUCMGLWFONP-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@](C)(O)C(F)F ZINC000905198894 637691450 /nfs/dbraw/zinc/69/14/50/637691450.db2.gz CEAFFALYGVLRGJ-GXSJLCMTSA-N 1 0 221.291 2.337 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905277867 637735179 /nfs/dbraw/zinc/73/51/79/637735179.db2.gz AOPBCMPXBVEZCS-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO c1nncn1[NH+]=C1CCC[C@@H](C2CCOCC2)C1 ZINC000905416791 637803687 /nfs/dbraw/zinc/80/36/87/637803687.db2.gz IWFNPRYCATVCQV-GFCCVEGCSA-N 1 0 248.330 2.099 20 30 BEEDRO C=C/C=C\CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905425088 637811205 /nfs/dbraw/zinc/81/12/05/637811205.db2.gz MWCWNVDDVVCRAQ-FJOGCWAESA-N 1 0 222.332 2.009 20 30 BEEDRO C=C/C=C/CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905425090 637811629 /nfs/dbraw/zinc/81/16/29/637811629.db2.gz MWCWNVDDVVCRAQ-FYJFLYSWSA-N 1 0 222.332 2.009 20 30 BEEDRO Fc1cc(N=NC2C[C@H]3CCC[N@@H+](C2)C3)ccn1 ZINC000905461034 637824620 /nfs/dbraw/zinc/82/46/20/637824620.db2.gz RHOIQPMHOCMFGT-SNVBAGLBSA-N 1 0 248.305 2.104 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000905510609 637832020 /nfs/dbraw/zinc/83/20/20/637832020.db2.gz WYXNHYBBDWTWNI-RDBSUJKOSA-N 1 0 248.370 2.067 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@]23C[C@@H]2CCCC3)CC1 ZINC000905509413 637832449 /nfs/dbraw/zinc/83/24/49/637832449.db2.gz OOKRWFQFCDOYDV-KCQAQPDRSA-N 1 0 248.370 2.211 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@H](O)CCOCC)CC1 ZINC000905563433 637848570 /nfs/dbraw/zinc/84/85/70/637848570.db2.gz DSDNGDFBBHNZLA-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CCS1 ZINC000905611776 637867418 /nfs/dbraw/zinc/86/74/18/637867418.db2.gz YFFKMCYORPMITD-IJLUTSLNSA-N 1 0 237.372 2.304 20 30 BEEDRO CC1(C)C[C@]1(C)C[NH2+]C[C@H](C#N)CCC#N ZINC000905781454 637910024 /nfs/dbraw/zinc/91/00/24/637910024.db2.gz RCZCVFQVFHNDLV-WCQYABFASA-N 1 0 219.332 2.456 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@@H]1CC[C@H]2C[C@H]21 ZINC000905845220 637960159 /nfs/dbraw/zinc/96/01/59/637960159.db2.gz FTUYQSVIRFIYRH-RFGFWPKPSA-N 1 0 231.343 2.456 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905964130 637983650 /nfs/dbraw/zinc/98/36/50/637983650.db2.gz YJFZNBKPYUULFL-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH+]2CC(CC3CC3)C2)CCC1 ZINC000905965659 637984571 /nfs/dbraw/zinc/98/45/71/637984571.db2.gz ISSAPNZHZJVXBF-CQSZACIVSA-N 1 0 248.370 2.163 20 30 BEEDRO CCC1(C)C[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905954883 638003213 /nfs/dbraw/zinc/00/32/13/638003213.db2.gz DBBSYAYIXWWOOU-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCON=CC1CC1 ZINC000906507896 638179040 /nfs/dbraw/zinc/17/90/40/638179040.db2.gz SBRIYSUMGSHGBD-GFCCVEGCSA-N 1 0 210.321 2.273 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCn1ccc(C#N)c1 ZINC000906503094 638196257 /nfs/dbraw/zinc/19/62/57/638196257.db2.gz NFIZCROGYQHHMJ-ZDUSSCGKSA-N 1 0 217.316 2.234 20 30 BEEDRO Cc1nccn1CC[N@@H+](CCC#N)CC(C)C ZINC000043419731 638310412 /nfs/dbraw/zinc/31/04/12/638310412.db2.gz JWGUSDGFNPFYKL-UHFFFAOYSA-N 1 0 234.347 2.063 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@H](C)C1 ZINC000907469010 638383870 /nfs/dbraw/zinc/38/38/70/638383870.db2.gz YYVNLBKLGLUZSB-LBPRGKRZSA-N 1 0 238.375 2.143 20 30 BEEDRO CCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000043513407 638461160 /nfs/dbraw/zinc/46/11/60/638461160.db2.gz FDDCLCLXZQOCMT-NSHDSACASA-N 1 0 218.300 2.477 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CC=CCC1 ZINC000909932145 639280858 /nfs/dbraw/zinc/28/08/58/639280858.db2.gz PPFHYRZTPMBFGO-CQSZACIVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCC(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000910284435 639406085 /nfs/dbraw/zinc/40/60/85/639406085.db2.gz RNLZCZMSBZYXDJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)CC#N)c1 ZINC000930217688 639636800 /nfs/dbraw/zinc/63/68/00/639636800.db2.gz ZFONNGUAPVUOCZ-GXTWGEPZSA-N 1 0 232.327 2.229 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930235352 639645107 /nfs/dbraw/zinc/64/51/07/639645107.db2.gz NAVWWBLJDGHWQH-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC ZINC000930243210 639651827 /nfs/dbraw/zinc/65/18/27/639651827.db2.gz BSBJLBVSEXZCLM-QWRGUYRKSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CCC[N@H+](C)CCOC1CCSCC1 ZINC000930253031 639662900 /nfs/dbraw/zinc/66/29/00/639662900.db2.gz JUEDAPWGUXQOHT-UHFFFAOYSA-N 1 0 229.389 2.407 20 30 BEEDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930295992 639687133 /nfs/dbraw/zinc/68/71/33/639687133.db2.gz LFCGWLZLAIVTCR-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC1(CC(=O)N2CC[C@@H]([NH3+])C2)CCCCC1 ZINC000911652572 639709003 /nfs/dbraw/zinc/70/90/03/639709003.db2.gz WHQLKFYCHPYEDL-GFCCVEGCSA-N 1 0 236.359 2.073 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC1([NH3+])CCCCC1 ZINC000911652464 639710794 /nfs/dbraw/zinc/71/07/94/639710794.db2.gz QIOLPBAIIIUPMO-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000911683592 639724682 /nfs/dbraw/zinc/72/46/82/639724682.db2.gz HXZQOLCTBNNLRO-UPJWGTAASA-N 1 0 238.375 2.317 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000930367189 639732382 /nfs/dbraw/zinc/73/23/82/639732382.db2.gz BQAFJAKYYPEUOK-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC1(CC(=O)N2CC[C@H]([NH3+])C2)CCCCC1 ZINC000911739470 639767331 /nfs/dbraw/zinc/76/73/31/639767331.db2.gz WHQLKFYCHPYEDL-LBPRGKRZSA-N 1 0 236.359 2.073 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CC1CCC(C#N)CC1 ZINC000930475987 639770221 /nfs/dbraw/zinc/77/02/21/639770221.db2.gz LFWOVYAXHAYKSK-HIFPTAJRSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H]1C[C@H](c2ccccc2)[N@H+](C[C@H](O)CC#N)C1 ZINC000930474068 639773526 /nfs/dbraw/zinc/77/35/26/639773526.db2.gz GVJBWVSLDLZBSZ-BPLDGKMQSA-N 1 0 244.338 2.344 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000911779085 639797689 /nfs/dbraw/zinc/79/76/89/639797689.db2.gz NASCEONCLKDDAE-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930587483 639814251 /nfs/dbraw/zinc/81/42/51/639814251.db2.gz CGVBSOUTNZOZQR-UWVGGRQHSA-N 1 0 235.249 2.051 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC000930591054 639815263 /nfs/dbraw/zinc/81/52/63/639815263.db2.gz ZZVPMPHZLNHZFJ-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO N#CC1CCC(C[N@H+]2CC[C@H](F)C2)CC1 ZINC000930603678 639818037 /nfs/dbraw/zinc/81/80/37/639818037.db2.gz PQKYYEPSYQGKOE-MCIGGMRASA-N 1 0 210.296 2.360 20 30 BEEDRO C[C@H]([N@H+](C)CC1CCC(C#N)CC1)C(C)(C)O ZINC000930612973 639821191 /nfs/dbraw/zinc/82/11/91/639821191.db2.gz BRWXQFWYBFXVRD-HIFPTAJRSA-N 1 0 238.375 2.408 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911825947 639838115 /nfs/dbraw/zinc/83/81/15/639838115.db2.gz PECROZXKPFHIAD-YNEHKIRRSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1ccns1 ZINC000930650621 639844830 /nfs/dbraw/zinc/84/48/30/639844830.db2.gz PWJNXFSAXQPGBC-NEPJUHHUSA-N 1 0 238.356 2.009 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@H](O)CC#N)cc1C ZINC000930663965 639852839 /nfs/dbraw/zinc/85/28/39/639852839.db2.gz AQBSAJHJHQPKAK-CQSZACIVSA-N 1 0 232.327 2.010 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](COC)C(C)C ZINC000930691828 639861822 /nfs/dbraw/zinc/86/18/22/639861822.db2.gz AHXUTEFLPYDKGI-NWDGAFQWSA-N 1 0 212.337 2.187 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC([NH3+])(CC)CC ZINC000911858536 639861995 /nfs/dbraw/zinc/86/19/95/639861995.db2.gz UGWUQBFIDFSRTD-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnccc1CC ZINC000911901870 639870706 /nfs/dbraw/zinc/87/07/06/639870706.db2.gz NSBCPUXHBDJQPX-UHFFFAOYSA-N 1 0 247.342 2.090 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1C ZINC000911959190 639904561 /nfs/dbraw/zinc/90/45/61/639904561.db2.gz CWAMYKLVJHESOW-VXGBXAGGSA-N 1 0 224.348 2.071 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000930816491 639918368 /nfs/dbraw/zinc/91/83/68/639918368.db2.gz MHNKVYDWOPQUBS-LBPRGKRZSA-N 1 0 234.368 2.421 20 30 BEEDRO C#CC1CC[NH+](C[C@](O)(CC)C(F)(F)F)CC1 ZINC000930822156 639923637 /nfs/dbraw/zinc/92/36/37/639923637.db2.gz MBBKFRJPMUGAPU-LLVKDONJSA-N 1 0 249.276 2.035 20 30 BEEDRO C[C@H](CCO)[N@H+](C)CC1CCC(C#N)CC1 ZINC000930862337 639952704 /nfs/dbraw/zinc/95/27/04/639952704.db2.gz JIMDSEUGBFFFRM-PNESKVBLSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930910059 639981193 /nfs/dbraw/zinc/98/11/93/639981193.db2.gz CVWPDTREROGKAG-UPJWGTAASA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)nnc1C)[C@@H](C)COC ZINC000930933763 639996376 /nfs/dbraw/zinc/99/63/76/639996376.db2.gz ZKQBMTBJUJKZPZ-LBPRGKRZSA-N 1 0 249.358 2.116 20 30 BEEDRO CC1(C)CC[N@H+](C[C@H](O)CC#N)CC(C)(C)C1 ZINC000930994637 640014069 /nfs/dbraw/zinc/01/40/69/640014069.db2.gz AGYDGGOZBOYHGW-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000912281873 640014872 /nfs/dbraw/zinc/01/48/72/640014872.db2.gz RZGDFZGGJOYALR-WCQYABFASA-N 1 0 247.342 2.203 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H](C)CC ZINC000912279785 640015227 /nfs/dbraw/zinc/01/52/27/640015227.db2.gz XNXALDWLZSSIND-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CC[N@@H+](CCO[C@@H]1CCOC1)C(C)(C)C ZINC000931016526 640021195 /nfs/dbraw/zinc/02/11/95/640021195.db2.gz GEWQXYPSQUKYJD-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO N#CC1CCC(C[NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000931021001 640023454 /nfs/dbraw/zinc/02/34/54/640023454.db2.gz FKMFEWWWKONGES-PQAZSJQKSA-N 1 0 248.370 2.209 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(N)nc1 ZINC000931064077 640053402 /nfs/dbraw/zinc/05/34/02/640053402.db2.gz ZINRDUPOCAEERX-BETUJISGSA-N 1 0 229.327 2.347 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000931163348 640083621 /nfs/dbraw/zinc/08/36/21/640083621.db2.gz KRRJJTXSPMVXNR-LBPRGKRZSA-N 1 0 237.322 2.251 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C/C(C)=C\C(=O)OC)C1 ZINC000931162941 640084120 /nfs/dbraw/zinc/08/41/20/640084120.db2.gz HKHKXCABMQBJMK-KGTBHZDVSA-N 1 0 223.316 2.004 20 30 BEEDRO CC1(C)CCC(C)(C)[N@H+](C[C@H](O)CC#N)C1 ZINC000931164600 640084449 /nfs/dbraw/zinc/08/44/49/640084449.db2.gz CWHHGWBTNDCIEJ-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCNC(NC[C@H](C)SC)=[NH+]C(C)(C)C ZINC000912497551 640108833 /nfs/dbraw/zinc/10/88/33/640108833.db2.gz UTOIWYFVKLSDRB-JTQLQIEISA-N 1 0 243.420 2.258 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C(C)C)C1CC1 ZINC000912693287 640167512 /nfs/dbraw/zinc/16/75/12/640167512.db2.gz VNPCPWGFKUWFHE-ZDUSSCGKSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCC[NH+]1CCC(c2ncco2)CC1 ZINC000931445012 640210761 /nfs/dbraw/zinc/21/07/61/640210761.db2.gz XLUFNKSATARBFD-UHFFFAOYSA-N 1 0 218.300 2.267 20 30 BEEDRO C=CCC[NH+]1CCC(c2ncco2)CC1 ZINC000931447196 640211373 /nfs/dbraw/zinc/21/13/73/640211373.db2.gz ZFGSKJGQZGTABL-UHFFFAOYSA-N 1 0 206.289 2.430 20 30 BEEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)Cc2c[nH]nc21 ZINC000931461466 640219787 /nfs/dbraw/zinc/21/97/87/640219787.db2.gz UCGLSGUFAUVUPQ-JTQLQIEISA-N 1 0 232.331 2.269 20 30 BEEDRO C=CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1 ZINC000931487604 640233312 /nfs/dbraw/zinc/23/33/12/640233312.db2.gz GVMQIBMKWUVRFA-GJZGRUSLSA-N 1 0 228.339 2.131 20 30 BEEDRO N#Cc1cncc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1 ZINC000931549849 640270367 /nfs/dbraw/zinc/27/03/67/640270367.db2.gz WOZFBGVJGBSHQZ-GASCZTMLSA-N 1 0 239.322 2.351 20 30 BEEDRO C#CCC[N@H+]1CCSC[C@@H]1C(C)(C)C ZINC000931596639 640284204 /nfs/dbraw/zinc/28/42/04/640284204.db2.gz JXMMYKOQGDSBCP-LLVKDONJSA-N 1 0 211.374 2.473 20 30 BEEDRO C=CCCC[C@H]([NH2+]C[C@@H](O)CO)c1ccccc1 ZINC000931693740 640320014 /nfs/dbraw/zinc/32/00/14/640320014.db2.gz DOFFQBDBCDYTFP-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO N#CC1(CCCC[N@H+]2CC=C[C@H]2CO)CCC1 ZINC000931701102 640324025 /nfs/dbraw/zinc/32/40/25/640324025.db2.gz WRIMJUHVDTWFLI-ZDUSSCGKSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)C)C[C@@H]1C ZINC000947071629 640372215 /nfs/dbraw/zinc/37/22/15/640372215.db2.gz XAZRZIOSWJIORT-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931921397 640389646 /nfs/dbraw/zinc/38/96/46/640389646.db2.gz FOKSHZBATNOZFF-CVEARBPZSA-N 1 0 243.350 2.463 20 30 BEEDRO C=CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC000931925165 640389808 /nfs/dbraw/zinc/38/98/08/640389808.db2.gz NKMNJGWBALNDPD-ZDUSSCGKSA-N 1 0 238.375 2.282 20 30 BEEDRO CC#CC[N@@H+]1C[C@H]2C[C@@]2(c2ccccc2)C1 ZINC000931930660 640394038 /nfs/dbraw/zinc/39/40/38/640394038.db2.gz IZAPUSVHIARZEJ-CABCVRRESA-N 1 0 211.308 2.283 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931938429 640396076 /nfs/dbraw/zinc/39/60/76/640396076.db2.gz OZWHGUYEXSSNLX-LLVKDONJSA-N 1 0 221.304 2.134 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931935643 640397884 /nfs/dbraw/zinc/39/78/84/640397884.db2.gz GQEICZPFFLFWRW-MWLCHTKSSA-N 1 0 221.304 2.132 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC000932052815 640417520 /nfs/dbraw/zinc/41/75/20/640417520.db2.gz FCPTWJATQXPGJB-QNWHQSFQSA-N 1 0 237.343 2.082 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932102537 640425055 /nfs/dbraw/zinc/42/50/55/640425055.db2.gz FWAMBJBAZBBPTF-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO Cn1ccc([C@@H]2CCC[N@H+](CCCCC#N)C2)n1 ZINC000932137049 640437856 /nfs/dbraw/zinc/43/78/56/640437856.db2.gz 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SCTAIUFJNHFMKC-UHFFFAOYSA-N 1 0 227.311 2.135 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000306257970 642318083 /nfs/dbraw/zinc/31/80/83/642318083.db2.gz ZFAWOBUQQPZPAO-QMMMGPOBSA-N 1 0 208.692 2.155 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC000971298839 642347793 /nfs/dbraw/zinc/34/77/93/642347793.db2.gz XCGLDVVHZFVPGS-XEVNVYFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000155047298 642369989 /nfs/dbraw/zinc/36/99/89/642369989.db2.gz WAIHUOSIEHEIFQ-UHFFFAOYSA-N 1 0 237.253 2.390 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2occc2C)C1 ZINC001021835880 642394850 /nfs/dbraw/zinc/39/48/50/642394850.db2.gz FBALORNTVBVYFW-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO CC#CCC[N@@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933252002 642418207 /nfs/dbraw/zinc/41/82/07/642418207.db2.gz NXALMKKTDYGMQZ-CQSZACIVSA-N 1 0 222.376 2.062 20 30 BEEDRO C#CCC1([NH2+]CCc2cnccn2)CCCCC1 ZINC000933262879 642430884 /nfs/dbraw/zinc/43/08/84/642430884.db2.gz FHBAXMQUEVKGFI-UHFFFAOYSA-N 1 0 243.354 2.335 20 30 BEEDRO C#CCC1([NH2+]CCc2cnn(C)c2)CCCCC1 ZINC000933265007 642435024 /nfs/dbraw/zinc/43/50/24/642435024.db2.gz OSPJWMGQCOLBHZ-UHFFFAOYSA-N 1 0 245.370 2.278 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2C[C@H]2C2CCC2)C1 ZINC000263004481 642438842 /nfs/dbraw/zinc/43/88/42/642438842.db2.gz ADFGRZJZUCWCDL-KGYLQXTDSA-N 1 0 235.375 2.222 20 30 BEEDRO C(/C=C/c1ccco1)=NNCC[NH+]1CCCCC1 ZINC000920375195 642483463 /nfs/dbraw/zinc/48/34/63/642483463.db2.gz QFOCFFOKJWNJAY-XSLJXCHSSA-N 1 0 247.342 2.354 20 30 BEEDRO C#CCC1([NH2+]C[C@](O)(CC)C(F)(F)F)CCC1 ZINC000933292939 642488501 /nfs/dbraw/zinc/48/85/01/642488501.db2.gz GTQTYVNENCVOEY-LLVKDONJSA-N 1 0 249.276 2.225 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CC3(CCC3)CO2)CCC1 ZINC000933293064 642488823 /nfs/dbraw/zinc/48/88/23/642488823.db2.gz GYVLTSCHWQHOAK-CYBMUJFWSA-N 1 0 233.355 2.481 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000920415774 642490663 /nfs/dbraw/zinc/49/06/63/642490663.db2.gz LGNAXWVVCWRDCK-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(CC)o2)CCC1 ZINC000933294208 642492398 /nfs/dbraw/zinc/49/23/98/642492398.db2.gz PEKBTLTZWWASMC-UHFFFAOYSA-N 1 0 218.300 2.273 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CCC1 ZINC000933295556 642500451 /nfs/dbraw/zinc/50/04/51/642500451.db2.gz XDXOOPXTZYXBDA-IHRRRGAJSA-N 1 0 233.355 2.480 20 30 BEEDRO C#CCC1([NH2+]Cc2cccnc2OC)CCC1 ZINC000933296153 642501753 /nfs/dbraw/zinc/50/17/53/642501753.db2.gz DKALPCNIHFRUTK-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CC[C@@H](C)O2)CCC1 ZINC000933296698 642503733 /nfs/dbraw/zinc/50/37/33/642503733.db2.gz LCPVEBOGCSNHIR-VXGBXAGGSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)CC2CCCC2)CCC1 ZINC000933296635 642504851 /nfs/dbraw/zinc/50/48/51/642504851.db2.gz KILFLMMYZYCCQO-AWEZNQCLSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CCC1([NH2+][C@@H](C)c2nc(C)cc(=O)[nH]2)CCC1 ZINC000933297020 642507348 /nfs/dbraw/zinc/50/73/48/642507348.db2.gz VRTGVAMRYMAVIB-NSHDSACASA-N 1 0 245.326 2.087 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CC3(CCC3)C(=O)O2)CCC1 ZINC000933296773 642507451 /nfs/dbraw/zinc/50/74/51/642507451.db2.gz NMHPODQRYNSMIH-LBPRGKRZSA-N 1 0 247.338 2.008 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC000933296874 642509058 /nfs/dbraw/zinc/50/90/58/642509058.db2.gz PHEGIVHNVPFETH-CQSZACIVSA-N 1 0 229.323 2.256 20 30 BEEDRO C#CCC1([NH2+]CCC(C)(C)OC)CCC1 ZINC000933297205 642510104 /nfs/dbraw/zinc/51/01/04/642510104.db2.gz ZIAWZVWYPCNNMS-UHFFFAOYSA-N 1 0 209.333 2.337 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(C)cc1OCC ZINC000305018599 642631229 /nfs/dbraw/zinc/63/12/29/642631229.db2.gz MZLYAGVVJVYDGA-UHFFFAOYSA-N 1 0 249.358 2.208 20 30 BEEDRO C[C@@]1(CNC(=[NH2+])N2CCCCC2)CCCS1 ZINC000305043368 642632318 /nfs/dbraw/zinc/63/23/18/642632318.db2.gz KLITXHVADWMJHU-LBPRGKRZSA-N 1 0 241.404 2.073 20 30 BEEDRO [NH2+]=C(NCc1ccsc1)N1CCCCCC1 ZINC000305045276 642636042 /nfs/dbraw/zinc/63/60/42/642636042.db2.gz FDLGXJFZLSHCJQ-UHFFFAOYSA-N 1 0 237.372 2.439 20 30 BEEDRO CC#CCNC(=[NH2+])NCCCCCCCC ZINC000305678133 642674143 /nfs/dbraw/zinc/67/41/43/642674143.db2.gz LZMFVBFHTLVAFR-UHFFFAOYSA-N 1 0 223.364 2.275 20 30 BEEDRO CNC(NCC1(C)CCCCCC1)=[NH+]C ZINC000305782366 642695472 /nfs/dbraw/zinc/69/54/72/642695472.db2.gz PMYYXSZAMZNNST-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000305805219 642702130 /nfs/dbraw/zinc/70/21/30/642702130.db2.gz GCULAGVEPRFAFO-GHMZBOCLSA-N 1 0 223.364 2.222 20 30 BEEDRO CN(C(=[NH2+])NCCCC(C)(C)C)C1CC1 ZINC000305838579 642705650 /nfs/dbraw/zinc/70/56/50/642705650.db2.gz YBZWSYZIZKJUGF-UHFFFAOYSA-N 1 0 211.353 2.222 20 30 BEEDRO Cc1ccccc1C[N@@H+](C)CCO[C@@H](C)C#N ZINC000306061564 642720036 /nfs/dbraw/zinc/72/00/36/642720036.db2.gz WQGRAXCAVHVSAS-ZDUSSCGKSA-N 1 0 232.327 2.356 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C)OCCO1)C1CC1 ZINC000179569958 642726634 /nfs/dbraw/zinc/72/66/34/642726634.db2.gz GGWBEYHHDQCDNP-LBPRGKRZSA-N 1 0 225.332 2.084 20 30 BEEDRO COCCCCNC(=[NH2+])NC1CCCCCC1 ZINC000179860330 642750648 /nfs/dbraw/zinc/75/06/48/642750648.db2.gz VTPJVCCXOCJZHX-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO C#CCCCNC(=[NH2+])NC1CCCCCC1 ZINC000179870406 642751386 /nfs/dbraw/zinc/75/13/86/642751386.db2.gz WXYYMWOYUTXBIZ-UHFFFAOYSA-N 1 0 221.348 2.027 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)C2=CCCC2)C1 ZINC000965858004 642772129 /nfs/dbraw/zinc/77/21/29/642772129.db2.gz CDJRQVNPVZMYEF-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC000967411048 642801436 /nfs/dbraw/zinc/80/14/36/642801436.db2.gz WXKGPWHQUWANOA-CEFACKQISA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC000969094657 642822535 /nfs/dbraw/zinc/82/25/35/642822535.db2.gz HRZHBZHNEGPREZ-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001008228157 642831411 /nfs/dbraw/zinc/83/14/11/642831411.db2.gz BXQIORUIJIDJTB-DZGCQCFKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001010094324 642851898 /nfs/dbraw/zinc/85/18/98/642851898.db2.gz JCESUVGQEMDOPA-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO CN(C(=[NH2+])NC/C=C/c1ccccc1)C1CC1 ZINC000181480053 642876925 /nfs/dbraw/zinc/87/69/25/642876925.db2.gz MIWBCMTZTYWULF-VMPITWQZSA-N 1 0 229.327 2.109 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001015526445 642900928 /nfs/dbraw/zinc/90/09/28/642900928.db2.gz FSWNADKUFBNENQ-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCCC[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000181832517 642910633 /nfs/dbraw/zinc/91/06/33/642910633.db2.gz MZJBFXGRUUNBQA-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC[N@H+](CC1OCCO1)CC1CCCCC1 ZINC000182282860 642989016 /nfs/dbraw/zinc/98/90/16/642989016.db2.gz PXKCGAPNGJCMKD-UHFFFAOYSA-N 1 0 239.359 2.428 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000182424576 643017124 /nfs/dbraw/zinc/01/71/24/643017124.db2.gz DUPJCIWIEKETGL-LLVKDONJSA-N 1 0 233.311 2.465 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(C)c1O ZINC000182491682 643025998 /nfs/dbraw/zinc/02/59/98/643025998.db2.gz VILMXUSWXYRXEY-UHFFFAOYSA-N 1 0 203.285 2.204 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C)o2)C1 ZINC001019967665 643047745 /nfs/dbraw/zinc/04/77/45/643047745.db2.gz WFGXIUANRGMIRE-HAQNSBGRSA-N 1 0 248.326 2.015 20 30 BEEDRO C#CC[NH+](CC#C)Cc1cccc2cnccc21 ZINC000183318862 643104481 /nfs/dbraw/zinc/10/44/81/643104481.db2.gz LUZFDZQJBWJONE-UHFFFAOYSA-N 1 0 234.302 2.303 20 30 BEEDRO Cc1ncsc1CNC(=[NH2+])Nc1ccccc1 ZINC000071213737 643109421 /nfs/dbraw/zinc/10/94/21/643109421.db2.gz FLIXSUDLARMYGU-UHFFFAOYSA-N 1 0 246.339 2.188 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccccc1 ZINC000076185402 643147901 /nfs/dbraw/zinc/14/79/01/643147901.db2.gz YACWTSQECFMSDX-UHFFFAOYSA-N 1 0 211.308 2.188 20 30 BEEDRO C=C(Cl)CN(C)CC1([NH+](C)C)CCC1 ZINC000186998082 643147834 /nfs/dbraw/zinc/14/78/34/643147834.db2.gz MVWPRFLIAUCEHK-UHFFFAOYSA-N 1 0 216.756 2.155 20 30 BEEDRO C=CCOCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932386193 643201153 /nfs/dbraw/zinc/20/11/53/643201153.db2.gz PDNXXVMCVMWROK-CQSZACIVSA-N 1 0 232.327 2.325 20 30 BEEDRO C#CCON=Cc1nc(C(C)C)n2ccccc12 ZINC000812233904 643234992 /nfs/dbraw/zinc/23/49/92/643234992.db2.gz HGRHPLSJOGOOLJ-UHFFFAOYSA-N 1 0 241.294 2.441 20 30 BEEDRO [NH2+]=C(NCCC1=CCCCCC1)NC1CC1 ZINC000184812532 643241198 /nfs/dbraw/zinc/24/11/98/643241198.db2.gz DVGGZBUOMUIHLH-UHFFFAOYSA-N 1 0 221.348 2.334 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H](C#C)C(C)C ZINC000306026973 643281870 /nfs/dbraw/zinc/28/18/70/643281870.db2.gz ZMECVBBQBLMVIZ-HNNXBMFYSA-N 1 0 241.334 2.446 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000306057721 643287709 /nfs/dbraw/zinc/28/77/09/643287709.db2.gz VMNDWAHNNMPMJA-CQSZACIVSA-N 1 0 230.311 2.147 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000306057720 643288613 /nfs/dbraw/zinc/28/86/13/643288613.db2.gz VMNDWAHNNMPMJA-AWEZNQCLSA-N 1 0 230.311 2.147 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)C)CC1(C)C ZINC000995486122 643304583 /nfs/dbraw/zinc/30/45/83/643304583.db2.gz POTRYWUVXCZUFT-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000932488170 643313429 /nfs/dbraw/zinc/31/34/29/643313429.db2.gz KFMXYCGHKNLMRS-RISCZKNCSA-N 1 0 249.741 2.316 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001021063271 643398885 /nfs/dbraw/zinc/39/88/85/643398885.db2.gz CVGYECYIGVUJTH-HDJSIYSDSA-N 1 0 248.370 2.156 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CCCO1 ZINC000049800806 643442460 /nfs/dbraw/zinc/44/24/60/643442460.db2.gz QEUIMPDWUCTOMI-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CCCO1 ZINC000049800807 643442060 /nfs/dbraw/zinc/44/20/60/643442060.db2.gz QEUIMPDWUCTOMI-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO CCCC[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034990956 643447599 /nfs/dbraw/zinc/44/75/99/643447599.db2.gz KHJSIZUAWDJQDY-UHFFFAOYSA-N 1 0 218.300 2.479 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000307547079 643495062 /nfs/dbraw/zinc/49/50/62/643495062.db2.gz LCHJCJNGGMMWNG-UWVGGRQHSA-N 1 0 203.713 2.238 20 30 BEEDRO C=CC[C@H]([NH2+]Cc1cncn1C)c1ccncc1 ZINC000734509597 643502195 /nfs/dbraw/zinc/50/21/95/643502195.db2.gz MAAAIDFXXRVTND-AWEZNQCLSA-N 1 0 242.326 2.222 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001032333669 643517383 /nfs/dbraw/zinc/51/73/83/643517383.db2.gz SSPSCZLBAIMSPA-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)[C@H](C)C(C)C)CC1 ZINC000997057998 643576084 /nfs/dbraw/zinc/57/60/84/643576084.db2.gz HLXCLLWFRBIPDT-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(=[NH+]N[C@H]1CCSC1)c1ccc(N)cc1C ZINC000807998844 643586428 /nfs/dbraw/zinc/58/64/28/643586428.db2.gz BRYGFPYAUAZXJI-LBPRGKRZSA-N 1 0 249.383 2.396 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@H]2CCCOC2)cs1 ZINC000921571052 643614155 /nfs/dbraw/zinc/61/41/55/643614155.db2.gz BJRDTLCULAIEAQ-SNVBAGLBSA-N 1 0 236.340 2.136 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@H](O)C2)cs1 ZINC000921585867 643615868 /nfs/dbraw/zinc/61/58/68/643615868.db2.gz HMEZZXDKOVAKEX-MNOVXSKESA-N 1 0 236.340 2.013 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000970984489 643650775 /nfs/dbraw/zinc/65/07/75/643650775.db2.gz ASKJXLZPFRTCMK-AWEZNQCLSA-N 1 0 244.338 2.019 20 30 BEEDRO CCOCCC[N@H+](CCC#N)CC(C)C ZINC000087325291 643654508 /nfs/dbraw/zinc/65/45/08/643654508.db2.gz HCIGMTGEEINCKZ-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO COc1ccc(C[NH2+]CCSC)cc1C#N ZINC000083730053 643674875 /nfs/dbraw/zinc/67/48/75/643674875.db2.gz HSTPPBZTBYHAKA-UHFFFAOYSA-N 1 0 236.340 2.019 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2ccoc2)C1 ZINC000971071763 643698289 /nfs/dbraw/zinc/69/82/89/643698289.db2.gz UWQFTTPDFYNFAB-ZDUSSCGKSA-N 1 0 248.326 2.002 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1csc(C#N)c1 ZINC000921656584 643706931 /nfs/dbraw/zinc/70/69/31/643706931.db2.gz UATFSFJXAJPUIP-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)C2CC=CC2)C1 ZINC000998564027 643712626 /nfs/dbraw/zinc/71/26/26/643712626.db2.gz DVXKUYOMMGFKMY-UHFFFAOYSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000998852437 643724303 /nfs/dbraw/zinc/72/43/03/643724303.db2.gz LABMUAOFWLOJFQ-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC000998852439 643724773 /nfs/dbraw/zinc/72/47/73/643724773.db2.gz LABMUAOFWLOJFQ-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC000998880661 643725283 /nfs/dbraw/zinc/72/52/83/643725283.db2.gz MREOIUIJHGPQAR-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCC)C1 ZINC000999893253 643742522 /nfs/dbraw/zinc/74/25/22/643742522.db2.gz HUNDPIZMBVEZOS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)CCO ZINC000921761277 643776392 /nfs/dbraw/zinc/77/63/92/643776392.db2.gz FFFIKBFDNYCTNP-LBPRGKRZSA-N 1 0 232.327 2.036 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001000354817 643778263 /nfs/dbraw/zinc/77/82/63/643778263.db2.gz KHAPWRMUGUZUKZ-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cnn(C)c1 ZINC000921776361 643781472 /nfs/dbraw/zinc/78/14/72/643781472.db2.gz SUBMNHYLQKNFTO-SECBINFHSA-N 1 0 246.339 2.204 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1CCNCc1csc(C#N)c1 ZINC000921795862 643791613 /nfs/dbraw/zinc/79/16/13/643791613.db2.gz CQCNQBLDOPKYHK-LLVKDONJSA-N 1 0 249.383 2.194 20 30 BEEDRO N#Cc1cc(C[NH2+]C2(CO)CCCC2)cs1 ZINC000921820386 643802494 /nfs/dbraw/zinc/80/24/94/643802494.db2.gz HNDUMWGUOCDIGG-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO CCC(O)(CC)C[NH2+]Cc1ccc(C#N)cc1 ZINC000063917986 643823301 /nfs/dbraw/zinc/82/33/01/643823301.db2.gz RMOMSQXRICYOHA-UHFFFAOYSA-N 1 0 232.327 2.199 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)C2CC=CC2)CC1 ZINC001002505755 643829745 /nfs/dbraw/zinc/82/97/45/643829745.db2.gz TUYSMGBASAWZEB-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921992921 643840194 /nfs/dbraw/zinc/84/01/94/643840194.db2.gz CEKPGNMZPXZDDA-UTUOFQBUSA-N 1 0 229.389 2.187 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)cs1 ZINC000922014365 643846568 /nfs/dbraw/zinc/84/65/68/643846568.db2.gz QCPCKLBTBQAYMW-VXGBXAGGSA-N 1 0 236.340 2.013 20 30 BEEDRO CN(C)C1(C[NH2+]Cc2csc(C#N)c2)CCC1 ZINC000922035668 643849339 /nfs/dbraw/zinc/84/93/39/643849339.db2.gz BFPFPGTZSIZSBG-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO CO[C@@H](C)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922038378 643850087 /nfs/dbraw/zinc/85/00/87/643850087.db2.gz BLUFIOQDBKMZQB-LBPRGKRZSA-N 1 0 232.327 2.300 20 30 BEEDRO C[NH+](C)CC1(NCc2csc(C#N)c2)CCC1 ZINC000922094677 643861566 /nfs/dbraw/zinc/86/15/66/643861566.db2.gz IZMAKNFYHHZAOV-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000922115217 643864475 /nfs/dbraw/zinc/86/44/75/643864475.db2.gz UDLVZINRWMKKFF-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO N#Cc1cc(C[NH2+]CCC2(O)CCC2)cs1 ZINC000922114365 643866081 /nfs/dbraw/zinc/86/60/81/643866081.db2.gz VTCDISDJIGJBBY-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922145315 643872223 /nfs/dbraw/zinc/87/22/23/643872223.db2.gz PHPFEGHUIBIASO-UHFFFAOYSA-N 1 0 220.316 2.479 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2csc(C#N)c2)O1 ZINC000922170203 643889240 /nfs/dbraw/zinc/88/92/40/643889240.db2.gz ALORQYGDQBWHDE-MWLCHTKSSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)O1 ZINC000922170200 643889581 /nfs/dbraw/zinc/88/95/81/643889581.db2.gz ALORQYGDQBWHDE-KOLCDFICSA-N 1 0 236.340 2.277 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000922214994 643905924 /nfs/dbraw/zinc/90/59/24/643905924.db2.gz LTFDQBKYGFSFGY-JSGCOSHPSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000922238898 643912333 /nfs/dbraw/zinc/91/23/33/643912333.db2.gz KFNVCKNMLRKSHX-UHFFFAOYSA-N 1 0 218.256 2.199 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2csc(C#N)c2)CO1 ZINC000922234130 643912952 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/nfs/dbraw/zinc/13/75/28/644137528.db2.gz SAIHJJBQWHUKLP-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCO[C@@H]2CCOC2)C1 ZINC000922936327 644193299 /nfs/dbraw/zinc/19/32/99/644193299.db2.gz FXEZMGNPFPIXJX-MGPQQGTHSA-N 1 0 239.359 2.126 20 30 BEEDRO COC[C@@H](C[NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000922949826 644198762 /nfs/dbraw/zinc/19/87/62/644198762.db2.gz UDCFSZQVNOSGMG-LLVKDONJSA-N 1 0 236.315 2.159 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(C3CC3)cn2)CCC1 ZINC000922998033 644221231 /nfs/dbraw/zinc/22/12/31/644221231.db2.gz GGSGDUXSJFZAKK-UHFFFAOYSA-N 1 0 229.327 2.254 20 30 BEEDRO C#CCC1([NH2+]Cc2cncc(OC)c2C)CCC1 ZINC000922997894 644221906 /nfs/dbraw/zinc/22/19/06/644221906.db2.gz DFTPNDJUKRGUFV-UHFFFAOYSA-N 1 0 244.338 2.434 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnc(C)c2)CCC1 ZINC000922998409 644223958 /nfs/dbraw/zinc/22/39/58/644223958.db2.gz JFZHNQZHJVCSHI-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(C)nc2CC)CCC1 ZINC000922998214 644224138 /nfs/dbraw/zinc/22/41/38/644224138.db2.gz RNROFUSIQHAEHN-UHFFFAOYSA-N 1 0 231.343 2.018 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1CCc2ccccc21 ZINC000079997210 644225055 /nfs/dbraw/zinc/22/50/55/644225055.db2.gz UOLUPBDKXZXUBM-HNNXBMFYSA-N 1 0 209.292 2.242 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)C1 ZINC000923005597 644232500 /nfs/dbraw/zinc/23/25/00/644232500.db2.gz YRSDYEKZWHXMNL-FVCCEPFGSA-N 1 0 209.333 2.092 20 30 BEEDRO Oc1ccccc1/C=N/C[C@H]1CCCOC1 ZINC000193679791 644271981 /nfs/dbraw/zinc/27/19/81/644271981.db2.gz HUYHVHYXPSAUPB-ZECSTPGPSA-N 1 0 219.284 2.238 20 30 BEEDRO CC(C)CCC(N)=NOCC[NH+]1CCCCC1 ZINC000194388251 644317564 /nfs/dbraw/zinc/31/75/64/644317564.db2.gz JGNMAGZYWQHYMG-UHFFFAOYSA-N 1 0 241.379 2.197 20 30 BEEDRO C=CCN1C[C@@H](CC[NH3+])Cc2ccccc21 ZINC000923545870 644492635 /nfs/dbraw/zinc/49/26/35/644492635.db2.gz YWQNWHUYLDROOY-LBPRGKRZSA-N 1 0 216.328 2.200 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824066 644505047 /nfs/dbraw/zinc/50/50/47/644505047.db2.gz FYFNOOKJHQCKJG-LLVKDONJSA-N 1 0 248.326 2.081 20 30 BEEDRO CCCCCCCC[N@H+](C)CC(=O)NCC ZINC000740875130 644560273 /nfs/dbraw/zinc/56/02/73/644560273.db2.gz GWWSCYRARBXPLF-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO CCCCO[C@H]1CC(=[NH+]n2cnnc2)C1(C)C ZINC000747623402 644586041 /nfs/dbraw/zinc/58/60/41/644586041.db2.gz BDYAWWYZEHQQDH-NSHDSACASA-N 1 0 236.319 2.097 20 30 BEEDRO Cc1cc(C#N)ccc1N1CCC[C@H]([NH+](C)C)C1 ZINC000091392391 644623919 /nfs/dbraw/zinc/62/39/19/644623919.db2.gz KCKXVUJXOOWZRU-AWEZNQCLSA-N 1 0 243.354 2.397 20 30 BEEDRO C=CC[N@@H+](CCCn1ccnc1C)C(C)C ZINC000762920838 644653297 /nfs/dbraw/zinc/65/32/97/644653297.db2.gz YKBGZYBEKLGNHU-UHFFFAOYSA-N 1 0 221.348 2.478 20 30 BEEDRO CCCCCCC[N@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248873879 644701007 /nfs/dbraw/zinc/70/10/07/644701007.db2.gz CBFSORRSTQXDIF-CHWSQXEVSA-N 1 0 231.380 2.020 20 30 BEEDRO C[C@H]1CNC(NN=C2CCC(C)(C)C[C@H]2C)=[NH+]1 ZINC000779798658 644714666 /nfs/dbraw/zinc/71/46/66/644714666.db2.gz DLZQTTVACMZLTA-ZJUUUORDSA-N 1 0 236.363 2.126 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000249711673 644734167 /nfs/dbraw/zinc/73/41/67/644734167.db2.gz YOFZDKVFHAOSDI-GARJFASQSA-N 1 0 249.362 2.259 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000411207665 644803408 /nfs/dbraw/zinc/80/34/08/644803408.db2.gz IXFSEAQXJAWZIA-LLVKDONJSA-N 1 0 232.331 2.281 20 30 BEEDRO C[C@@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1[NH3+] ZINC000251921867 644831132 /nfs/dbraw/zinc/83/11/32/644831132.db2.gz YAMGJEGUUNNRQC-BXKDBHETSA-N 1 0 249.745 2.385 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])N2CCCCC2)cc1 ZINC000303707435 644838876 /nfs/dbraw/zinc/83/88/76/644838876.db2.gz MJINPCQANUZWNC-UHFFFAOYSA-N 1 0 231.343 2.296 20 30 BEEDRO CCCCOCCCNC(=[NH2+])NCCC(C)C ZINC000303705149 644839158 /nfs/dbraw/zinc/83/91/58/644839158.db2.gz KRTZUXUIZFISKJ-UHFFFAOYSA-N 1 0 243.395 2.144 20 30 BEEDRO [NH2+]=C(NCc1cccc(F)c1)NCC1CCC1 ZINC000303769257 644844352 /nfs/dbraw/zinc/84/43/52/644844352.db2.gz AWFFJLYMRQYFEJ-UHFFFAOYSA-N 1 0 235.306 2.030 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000801923736 644844547 /nfs/dbraw/zinc/84/45/47/644844547.db2.gz CJYHOINGSJUGTH-NEPJUHHUSA-N 1 0 230.311 2.492 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCCCC1 ZINC000303770378 644844990 /nfs/dbraw/zinc/84/49/90/644844990.db2.gz BXNHSMOYUKTTQS-KGLIPLIRSA-N 1 0 243.354 2.343 20 30 BEEDRO CC(C)CCNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000303792684 644847736 /nfs/dbraw/zinc/84/77/36/644847736.db2.gz YQGGPELEHSNWRT-KBPBESRZSA-N 1 0 245.370 2.493 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NC(C)C)c(C)c1 ZINC000303868635 644851194 /nfs/dbraw/zinc/85/11/94/644851194.db2.gz DKCVFHXZPCPMPC-UHFFFAOYSA-N 1 0 233.359 2.159 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCC1CCCCC1 ZINC000303892628 644854326 /nfs/dbraw/zinc/85/43/26/644854326.db2.gz NTDCXCAEASIOIX-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NCC2(O)CCCC2)c1 ZINC000303974020 644861217 /nfs/dbraw/zinc/86/12/17/644861217.db2.gz HKUZOJPKIGSEEU-UHFFFAOYSA-N 1 0 247.342 2.027 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)C1CCCCC1 ZINC000304201563 644875064 /nfs/dbraw/zinc/87/50/64/644875064.db2.gz CDDBBJTZOFGNTE-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)C1CCCCC1 ZINC000304201561 644875523 /nfs/dbraw/zinc/87/55/23/644875523.db2.gz CDDBBJTZOFGNTE-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H]1CCCCC1(C)C ZINC000304234710 644878960 /nfs/dbraw/zinc/87/89/60/644878960.db2.gz LVXJMHGSAQJOCL-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304276035 644884540 /nfs/dbraw/zinc/88/45/40/644884540.db2.gz BFAZFAZDGIFGSU-LBPRGKRZSA-N 1 0 231.343 2.189 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000809424689 644889801 /nfs/dbraw/zinc/88/98/01/644889801.db2.gz WGUURFGEXFVMNF-UHFFFAOYSA-N 1 0 229.323 2.061 20 30 BEEDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)CC#N)CC1 ZINC000809574485 644893553 /nfs/dbraw/zinc/89/35/53/644893553.db2.gz LKFFUZNPICDEAQ-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)CC(C)C)cc1 ZINC000809612246 644894637 /nfs/dbraw/zinc/89/46/37/644894637.db2.gz YNDFSDKDYJQPKY-HNNXBMFYSA-N 1 0 231.339 2.165 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252737489 644895659 /nfs/dbraw/zinc/89/56/59/644895659.db2.gz BUOBKERZENOXLR-ILWJIGKKSA-N 1 0 203.713 2.285 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000809683621 644895721 /nfs/dbraw/zinc/89/57/21/644895721.db2.gz GGNIAAPQSBBLMK-WDEREUQCSA-N 1 0 224.307 2.246 20 30 BEEDRO CCO[C@@H](CCNC(=[NH2+])N[C@H](C)CC)C(C)C ZINC000304429677 644904561 /nfs/dbraw/zinc/90/45/61/644904561.db2.gz MUZQMJQOJONXRF-NEPJUHHUSA-N 1 0 243.395 2.140 20 30 BEEDRO CCO[C@H](CCNC(=[NH2+])N[C@@H](C)CC)C(C)C ZINC000304429678 644905649 /nfs/dbraw/zinc/90/56/49/644905649.db2.gz MUZQMJQOJONXRF-NWDGAFQWSA-N 1 0 243.395 2.140 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304462676 644908294 /nfs/dbraw/zinc/90/82/94/644908294.db2.gz BRXZMAQLXBKZSX-ZIAGYGMSSA-N 1 0 243.354 2.271 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccon2)c1 ZINC000304487930 644911814 /nfs/dbraw/zinc/91/18/14/644911814.db2.gz KSJCBDZRRKHLDT-UHFFFAOYSA-N 1 0 244.298 2.218 20 30 BEEDRO CSCCCCNC(=[NH2+])NCCC(C)C ZINC000304753931 644926371 /nfs/dbraw/zinc/92/63/71/644926371.db2.gz LNAJGSUWFZTZIL-UHFFFAOYSA-N 1 0 231.409 2.080 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](C)Sc1ccccc1 ZINC000304702622 644927251 /nfs/dbraw/zinc/92/72/51/644927251.db2.gz MGXQMJWUCKPSEB-SNVBAGLBSA-N 1 0 237.372 2.091 20 30 BEEDRO Cc1cc(C)cc(CCNC(=[NH2+])NC(C)C)c1 ZINC000304747294 644928821 /nfs/dbraw/zinc/92/88/21/644928821.db2.gz GFSNCUMBBLJHJI-UHFFFAOYSA-N 1 0 233.359 2.159 20 30 BEEDRO COC(C)(C)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000304760116 644931292 /nfs/dbraw/zinc/93/12/92/644931292.db2.gz RXJVDYGUDMNZHV-UHFFFAOYSA-N 1 0 235.331 2.147 20 30 BEEDRO CC(C)CNC(=[NH2+])NCCCC(C)(C)C ZINC000304764801 644933384 /nfs/dbraw/zinc/93/33/84/644933384.db2.gz YKPJYBWALHWQSQ-UHFFFAOYSA-N 1 0 213.369 2.373 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCC1(C)CCC1 ZINC000304802606 644934431 /nfs/dbraw/zinc/93/44/31/644934431.db2.gz PQPCKAFGZOJHBW-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000815058354 644949448 /nfs/dbraw/zinc/94/94/48/644949448.db2.gz ZGJYTXRFNYPHBD-AWEZNQCLSA-N 1 0 230.311 2.364 20 30 BEEDRO COC(C[N@H+](C)[C@@H](C)c1cccc(C#N)c1)OC ZINC000823618669 645047213 /nfs/dbraw/zinc/04/72/13/645047213.db2.gz UEOLMOYRNCEARH-NSHDSACASA-N 1 0 248.326 2.170 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H]2CC)cc1 ZINC000824636819 645057389 /nfs/dbraw/zinc/05/73/89/645057389.db2.gz TZLCLRMKUWLJCN-HOTGVXAUSA-N 1 0 243.350 2.261 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000830316398 645118163 /nfs/dbraw/zinc/11/81/63/645118163.db2.gz QMWCBKNARYGJLJ-OAHLLOKOSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000830311400 645118474 /nfs/dbraw/zinc/11/84/74/645118474.db2.gz MRKQDKFMVQGOJR-OAHLLOKOSA-N 1 0 229.323 2.065 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)c2cccc(F)c2)CC1 ZINC000830316488 645119871 /nfs/dbraw/zinc/11/98/71/645119871.db2.gz UUBNREHWVHVRAR-OAHLLOKOSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC1CC[NH+](C[C@H]2CCC(C)(C)O2)CC1 ZINC000830345573 645120611 /nfs/dbraw/zinc/12/06/11/645120611.db2.gz JBAMAXVYCVSRMB-CYBMUJFWSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(OCC)n2)CC1 ZINC000830345491 645120782 /nfs/dbraw/zinc/12/07/82/645120782.db2.gz FTKIQRIABGEQFL-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000830345424 645120925 /nfs/dbraw/zinc/12/09/25/645120925.db2.gz CEXYRTVUSXPYFU-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC1CCCCCC1 ZINC000836829422 645177705 /nfs/dbraw/zinc/17/77/05/645177705.db2.gz LQKOVQVUAVEXPE-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@@H]1C[C@H]1c1cccs1 ZINC000841604845 645221494 /nfs/dbraw/zinc/22/14/94/645221494.db2.gz RHFILCOCMQJUFW-VHSXEESVSA-N 1 0 232.312 2.367 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(=O)oc2cc(O)ccc12 ZINC000121517105 645227840 /nfs/dbraw/zinc/22/78/40/645227840.db2.gz KWSNEDVNPVFSQL-UHFFFAOYSA-N 1 0 245.278 2.116 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H](C)CC[NH3+] ZINC000841863652 645233302 /nfs/dbraw/zinc/23/33/02/645233302.db2.gz DZGMNBDNFLGAAS-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926522719 645252077 /nfs/dbraw/zinc/25/20/77/645252077.db2.gz YPPNRAOMCNWKOL-NSHDSACASA-N 1 0 222.336 2.476 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926523502 645253197 /nfs/dbraw/zinc/25/31/97/645253197.db2.gz ZPAFDKVFIMEPPL-NXEZZACHSA-N 1 0 220.320 2.086 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccns1 ZINC000926528085 645254567 /nfs/dbraw/zinc/25/45/67/645254567.db2.gz VAAJENZYJKDNCZ-BBBLOLIVSA-N 1 0 224.329 2.137 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC2CCC1CC2 ZINC000926528392 645254900 /nfs/dbraw/zinc/25/49/00/645254900.db2.gz YJBHTDSLDRFHHV-LSUUEXMVSA-N 1 0 221.344 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000926525512 645255009 /nfs/dbraw/zinc/25/50/09/645255009.db2.gz KEVCJUNINQKHLQ-UTUOFQBUSA-N 1 0 248.326 2.294 20 30 BEEDRO C[C@@H](C[C@H](O)c1ccccc1)[NH2+]CCC#N ZINC000843093549 645263115 /nfs/dbraw/zinc/26/31/15/645263115.db2.gz RFGISBVPLDAJHI-AAEUAGOBSA-N 1 0 218.300 2.002 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccns1 ZINC000926546917 645269442 /nfs/dbraw/zinc/26/94/42/645269442.db2.gz ZHQSVGURQASEJS-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCCCNc1ccc(OCC[NH3+])cc1 ZINC000843366619 645287028 /nfs/dbraw/zinc/28/70/28/645287028.db2.gz WVTMHBXYOAIAMO-UHFFFAOYSA-N 1 0 220.316 2.402 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000843426747 645291732 /nfs/dbraw/zinc/29/17/32/645291732.db2.gz JHRDZOGVHRMGOC-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO COc1ccnc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000926616523 645317001 /nfs/dbraw/zinc/31/70/01/645317001.db2.gz SMRXZZZXKUYMFZ-SDDRHHMPSA-N 1 0 245.326 2.433 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C2CC2)C(C)(C)C)nn1 ZINC000926617166 645317841 /nfs/dbraw/zinc/31/78/41/645317841.db2.gz XGYWAFNFOBHLQU-CYBMUJFWSA-N 1 0 248.374 2.378 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)c1cc[nH]c(=O)c1 ZINC000926624060 645320977 /nfs/dbraw/zinc/32/09/77/645320977.db2.gz HDWZGTRHHBCQRO-JTQLQIEISA-N 1 0 231.299 2.132 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000926667123 645343979 /nfs/dbraw/zinc/34/39/79/645343979.db2.gz YFODMWWGWRVMHA-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000926667124 645344272 /nfs/dbraw/zinc/34/42/72/645344272.db2.gz YFODMWWGWRVMHA-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCC1(OC)OC ZINC000926665495 645345005 /nfs/dbraw/zinc/34/50/05/645345005.db2.gz FXWWSWULHMLNKQ-GFCCVEGCSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000926667119 645345829 /nfs/dbraw/zinc/34/58/29/645345829.db2.gz YFODMWWGWRVMHA-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000926701924 645366668 /nfs/dbraw/zinc/36/66/68/645366668.db2.gz CNVNQGZDQCIOJE-ZDUSSCGKSA-N 1 0 234.343 2.195 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926705899 645373814 /nfs/dbraw/zinc/37/38/14/645373814.db2.gz XXJLCSFXYZXJLV-NSHDSACASA-N 1 0 236.315 2.031 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926710478 645374085 /nfs/dbraw/zinc/37/40/85/645374085.db2.gz JZRGVASKOGINOC-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926712387 645375164 /nfs/dbraw/zinc/37/51/64/645375164.db2.gz MMAWKWJHVNFGRT-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000926715849 645378652 /nfs/dbraw/zinc/37/86/52/645378652.db2.gz VQGXACSYGVJUTO-GRYCIOLGSA-N 1 0 236.359 2.208 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](CO)CC1CC1 ZINC000926714445 645378656 /nfs/dbraw/zinc/37/86/56/645378656.db2.gz NGMOFYMWQVDVKS-AAEUAGOBSA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000926715850 645378773 /nfs/dbraw/zinc/37/87/73/645378773.db2.gz VQGXACSYGVJUTO-IJLUTSLNSA-N 1 0 236.359 2.208 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCC(C)(C)OC)C1 ZINC000847017922 645412777 /nfs/dbraw/zinc/41/27/77/645412777.db2.gz FJKFYNQNBWOSFO-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000847031198 645422147 /nfs/dbraw/zinc/42/21/47/645422147.db2.gz BJPBKGHGWIDHES-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000848924568 645445132 /nfs/dbraw/zinc/44/51/32/645445132.db2.gz VNENAHAHYRQVHM-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC#N ZINC000849023428 645446414 /nfs/dbraw/zinc/44/64/14/645446414.db2.gz SNDCWCOCJJXCTK-LLVKDONJSA-N 1 0 224.352 2.229 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000926861850 645459602 /nfs/dbraw/zinc/45/96/02/645459602.db2.gz CQCPKIGEYABFKX-MCIONIFRSA-N 1 0 243.391 2.233 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000926862154 645459716 /nfs/dbraw/zinc/45/97/16/645459716.db2.gz FNIXKZKCYNNAAP-VHSXEESVSA-N 1 0 217.740 2.063 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926865746 645463318 /nfs/dbraw/zinc/46/33/18/645463318.db2.gz HKDDLKJBFBASJM-CQSZACIVSA-N 1 0 246.398 2.396 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)C1(Br)CC1 ZINC000926874538 645469624 /nfs/dbraw/zinc/46/96/24/645469624.db2.gz QPSDGSPVINKKDX-MRVPVSSYSA-N 1 0 243.148 2.196 20 30 BEEDRO C#C[C@@H]1CCCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000852216318 645476062 /nfs/dbraw/zinc/47/60/62/645476062.db2.gz ZETKKPQRSLTDJV-HRCADAONSA-N 1 0 248.414 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000926916833 645487995 /nfs/dbraw/zinc/48/79/95/645487995.db2.gz TWNHYGYLYCGRBT-AAVRWANBSA-N 1 0 234.343 2.227 20 30 BEEDRO CCC[C@@H](O)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000927022344 645512767 /nfs/dbraw/zinc/51/27/67/645512767.db2.gz QSCSNOAWINOPTK-VXGBXAGGSA-N 1 0 226.364 2.455 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927162019 645580599 /nfs/dbraw/zinc/58/05/99/645580599.db2.gz BDIVWUGJUHMVAP-LBPRGKRZSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@H]([NH2+]CCNc1ccc(C#N)cn1)C(C)(C)C ZINC000927164910 645581000 /nfs/dbraw/zinc/58/10/00/645581000.db2.gz QATQNGIXYUEZIG-NSHDSACASA-N 1 0 246.358 2.389 20 30 BEEDRO CC[C@@H]1CC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168366 645581188 /nfs/dbraw/zinc/58/11/88/645581188.db2.gz RXFIJZHNCUYVFR-OLZOCXBDSA-N 1 0 244.342 2.143 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2conc2CC)C1 ZINC000862446814 645695952 /nfs/dbraw/zinc/69/59/52/645695952.db2.gz FRNLTKBBOIKRBO-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000862447074 645696078 /nfs/dbraw/zinc/69/60/78/645696078.db2.gz IDEZMHCWQDNQAP-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC000862447050 645697920 /nfs/dbraw/zinc/69/79/20/645697920.db2.gz HNKLZGQNEWHHEQ-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877459001 645796992 /nfs/dbraw/zinc/79/69/92/645796992.db2.gz DSNNERJURZUAHJ-WDEREUQCSA-N 1 0 215.300 2.231 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000877650231 645805707 /nfs/dbraw/zinc/80/57/07/645805707.db2.gz PTVSJQPZSOVOJG-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC000877650853 645806738 /nfs/dbraw/zinc/80/67/38/645806738.db2.gz OMJHBBVLLVFJPT-ZIAGYGMSSA-N 1 0 223.360 2.393 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000878575117 645818481 /nfs/dbraw/zinc/81/84/81/645818481.db2.gz XBHWVKDQHXYXSL-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000878761734 645823730 /nfs/dbraw/zinc/82/37/30/645823730.db2.gz RBUVIKZYGVEIIQ-MGPQQGTHSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000883124271 645848284 /nfs/dbraw/zinc/84/82/84/645848284.db2.gz BYNIGZNLXDLNCC-UKRRQHHQSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000883124270 645848771 /nfs/dbraw/zinc/84/87/71/645848771.db2.gz BYNIGZNLXDLNCC-HIFRSBDPSA-N 1 0 231.339 2.154 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]CCC#N)CC2 ZINC000133225353 645862962 /nfs/dbraw/zinc/86/29/62/645862962.db2.gz GAHPVGUTXIRALN-CYBMUJFWSA-N 1 0 230.311 2.056 20 30 BEEDRO C#CC[C@H]1CCN(c2cc[nH+]c(CC)c2)C1 ZINC000884595938 645876681 /nfs/dbraw/zinc/87/66/81/645876681.db2.gz QSGORSSWYCJXBY-LBPRGKRZSA-N 1 0 214.312 2.494 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000886355577 645885511 /nfs/dbraw/zinc/88/55/11/645885511.db2.gz KIFFCMUHTOXJBP-WFASDCNBSA-N 1 0 247.313 2.204 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH+](CC)CC ZINC000929105803 645945633 /nfs/dbraw/zinc/94/56/33/645945633.db2.gz NLLIIYSHJITOQM-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CC1CCC(C#N)CC1 ZINC000929182748 645990259 /nfs/dbraw/zinc/99/02/59/645990259.db2.gz PTGGHKLLVFRVSM-KBHBFKLGSA-N 1 0 236.359 2.426 20 30 BEEDRO CC(C)N1CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929202187 646000630 /nfs/dbraw/zinc/00/06/30/646000630.db2.gz CBHZVQCIQXTMOR-UHFFFAOYSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCn1ccnc1 ZINC000924534591 646052676 /nfs/dbraw/zinc/05/26/76/646052676.db2.gz RAIVYIMWKURDLT-GFCCVEGCSA-N 1 0 234.347 2.191 20 30 BEEDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000924698187 646092917 /nfs/dbraw/zinc/09/29/17/646092917.db2.gz COXBOASDPUIBTN-JYAVWHMHSA-N 1 0 244.338 2.319 20 30 BEEDRO N#CC1(CCCC[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000929359051 646094318 /nfs/dbraw/zinc/09/43/18/646094318.db2.gz QDVIGKYIJLLQBQ-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO CC[N@@H+](Cc1ccc(C)cc1)C[C@H](O)CC#N ZINC000929378161 646103984 /nfs/dbraw/zinc/10/39/84/646103984.db2.gz CLJXKXCRKLIWHC-CQSZACIVSA-N 1 0 232.327 2.092 20 30 BEEDRO N#CC1CC[NH+](CCCc2cccnc2)CC1 ZINC000929416226 646111765 /nfs/dbraw/zinc/11/17/65/646111765.db2.gz HAWCDQDKIAPRPN-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO N#CC1CC[NH+](CCSc2ccncc2)CC1 ZINC000929417232 646111823 /nfs/dbraw/zinc/11/18/23/646111823.db2.gz YJRHEQCDPCUTRP-UHFFFAOYSA-N 1 0 247.367 2.409 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCc1cnn(C)c1 ZINC000924914170 646133142 /nfs/dbraw/zinc/13/31/42/646133142.db2.gz VBHJKTDHXNZSRC-GFCCVEGCSA-N 1 0 248.374 2.271 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)C1(Cl)CC1 ZINC000924943746 646137576 /nfs/dbraw/zinc/13/75/76/646137576.db2.gz XBOSRPAVYDYGMT-VIFPVBQESA-N 1 0 200.713 2.430 20 30 BEEDRO CC(C)(C)[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000925004477 646154141 /nfs/dbraw/zinc/15/41/41/646154141.db2.gz YKRRECNLIIQZCU-AWEZNQCLSA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925043067 646164491 /nfs/dbraw/zinc/16/44/91/646164491.db2.gz BATZFKHGLMTLQE-SDDRHHMPSA-N 1 0 226.364 2.311 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925043072 646165264 /nfs/dbraw/zinc/16/52/64/646165264.db2.gz BATZFKHGLMTLQE-TUAOUCFPSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCOc1cccnc1 ZINC000925062750 646172757 /nfs/dbraw/zinc/17/27/57/646172757.db2.gz APJSBOAZHBUYDM-LBPRGKRZSA-N 1 0 247.342 2.378 20 30 BEEDRO C=C1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000929563926 646180623 /nfs/dbraw/zinc/18/06/23/646180623.db2.gz IAISGHOKVOGJCI-UHFFFAOYSA-N 1 0 245.326 2.152 20 30 BEEDRO C=CC1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000929619758 646204928 /nfs/dbraw/zinc/20/49/28/646204928.db2.gz WWMJPKFIUZUMOZ-UHFFFAOYSA-N 1 0 237.322 2.251 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCCC2(CCCCC2)C1 ZINC000929623815 646205634 /nfs/dbraw/zinc/20/56/34/646205634.db2.gz KYGKXNUSCPPKIR-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CC[N@@H+](CC[N+](=O)[O-])CC1CCCCC1 ZINC000929626016 646209833 /nfs/dbraw/zinc/20/98/33/646209833.db2.gz WCWNZEOHWPZTMP-UHFFFAOYSA-N 1 0 226.320 2.331 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000925255501 646219883 /nfs/dbraw/zinc/21/98/83/646219883.db2.gz FNZHNAZNRQTSCL-MNOVXSKESA-N 1 0 219.332 2.445 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000925255503 646221591 /nfs/dbraw/zinc/22/15/91/646221591.db2.gz FNZHNAZNRQTSCL-WDEREUQCSA-N 1 0 219.332 2.445 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925258267 646223639 /nfs/dbraw/zinc/22/36/39/646223639.db2.gz UBKSCMBKXDBIQA-XQQFMLRXSA-N 1 0 208.349 2.167 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000925258620 646223676 /nfs/dbraw/zinc/22/36/76/646223676.db2.gz XHKJHACCYQJEKQ-RYUDHWBXSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)C1(Br)CC1 ZINC000925265007 646224780 /nfs/dbraw/zinc/22/47/80/646224780.db2.gz YAOYRPZFGYGJMP-SFYZADRCSA-N 1 0 218.138 2.467 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000925263487 646225410 /nfs/dbraw/zinc/22/54/10/646225410.db2.gz BJNCZKCQTKXBLU-OUCADQQQSA-N 1 0 249.402 2.387 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCO[C@H]1CCOC1 ZINC000929693438 646250399 /nfs/dbraw/zinc/25/03/99/646250399.db2.gz DGUFQXITRRUMHX-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929693288 646250901 /nfs/dbraw/zinc/25/09/01/646250901.db2.gz PHMZGACHPDFZGY-YNEHKIRRSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000925426307 646276210 /nfs/dbraw/zinc/27/62/10/646276210.db2.gz MYEIHBQAMAEPRU-UWVGGRQHSA-N 1 0 222.336 2.222 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925435857 646281941 /nfs/dbraw/zinc/28/19/41/646281941.db2.gz BRZPIOWSQKWISS-MNOVXSKESA-N 1 0 217.740 2.390 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925452989 646285666 /nfs/dbraw/zinc/28/56/66/646285666.db2.gz DYRXWWVENYFVRM-YNEHKIRRSA-N 1 0 221.369 2.297 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000929788121 646302603 /nfs/dbraw/zinc/30/26/03/646302603.db2.gz PDJROGKETYAJTF-NXEZZACHSA-N 1 0 235.249 2.051 20 30 BEEDRO CC(C)CCN(CCC#N)Cc1ccc(N)nc1 ZINC000929778393 646304539 /nfs/dbraw/zinc/30/45/39/646304539.db2.gz IPDABBBPAVGEKU-UHFFFAOYSA-N 1 0 246.358 2.426 20 30 BEEDRO C#CC[N@H+](CC)CCSc1ccncc1 ZINC000929786630 646315153 /nfs/dbraw/zinc/31/51/53/646315153.db2.gz GPSOZGPBTILXPM-UHFFFAOYSA-N 1 0 220.341 2.129 20 30 BEEDRO C#CC[N@@H+](CC)[C@H](C)c1ccc(F)nc1 ZINC000929786119 646315587 /nfs/dbraw/zinc/31/55/87/646315587.db2.gz DUOQYVWRDRZJOB-SNVBAGLBSA-N 1 0 206.264 2.237 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000929789701 646316481 /nfs/dbraw/zinc/31/64/81/646316481.db2.gz XXOISNWPJQTFFV-GHMZBOCLSA-N 1 0 249.276 2.442 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723638503 711529108 /nfs/dbraw/zinc/52/91/08/711529108.db2.gz NYTIVXQQFSWUKF-RWMBFGLXSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)CC#N ZINC000929813285 646331788 /nfs/dbraw/zinc/33/17/88/646331788.db2.gz QKIQLPADAOJWMP-CFVMTHIKSA-N 1 0 244.338 2.139 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925567410 646336994 /nfs/dbraw/zinc/33/69/94/646336994.db2.gz DCIGRNTUEHEURH-QWHCGFSZSA-N 1 0 242.794 2.497 20 30 BEEDRO CC(C)CC[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929854776 646361220 /nfs/dbraw/zinc/36/12/20/646361220.db2.gz OHOGRUDFNJLIIM-CHWSQXEVSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000925633702 646377977 /nfs/dbraw/zinc/37/79/77/646377977.db2.gz GLBGNXCDNWQBLN-ZJUUUORDSA-N 1 0 220.320 2.389 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1cn[nH]c1 ZINC000925633699 646378321 /nfs/dbraw/zinc/37/83/21/646378321.db2.gz GLBGNXCDNWQBLN-NXEZZACHSA-N 1 0 220.320 2.389 20 30 BEEDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930006728 646392295 /nfs/dbraw/zinc/39/22/95/646392295.db2.gz WUSDHFWCZZQSQS-XQQFMLRXSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1c(C)noc1C ZINC000925694860 646419959 /nfs/dbraw/zinc/41/99/59/646419959.db2.gz GMDXTZBNSMOGQU-BXKDBHETSA-N 1 0 238.331 2.127 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1[C@H](C)CC[C@H]1C ZINC000925697055 646421978 /nfs/dbraw/zinc/42/19/78/646421978.db2.gz MHROVCDRFNPLBB-UTUOFQBUSA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930126341 646450894 /nfs/dbraw/zinc/45/08/94/646450894.db2.gz RRNXDROKUOPQAQ-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1O ZINC000930160261 646465159 /nfs/dbraw/zinc/46/51/59/646465159.db2.gz MYWFBZADSMZUOF-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cc(N)ccn1 ZINC000925769520 646467135 /nfs/dbraw/zinc/46/71/35/646467135.db2.gz AJGXAYXBQYYSTM-LBPRGKRZSA-N 1 0 219.332 2.498 20 30 BEEDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CC1CCC(C#N)CC1 ZINC000930161061 646468241 /nfs/dbraw/zinc/46/82/41/646468241.db2.gz FBPGHYUIKGDKSS-ZUJMUWTESA-N 1 0 249.402 2.341 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[N@H+](C)C(C)C ZINC000930183122 646473856 /nfs/dbraw/zinc/47/38/56/646473856.db2.gz ZQVCRUPJSZVXEF-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(CCF)c1)C1CC1 ZINC000930176875 646479246 /nfs/dbraw/zinc/47/92/46/646479246.db2.gz XOXLWIVJWVNNKF-UHFFFAOYSA-N 1 0 223.295 2.003 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000930190665 646482672 /nfs/dbraw/zinc/48/26/72/646482672.db2.gz WQPIDTBEFNYTDD-ZYHUDNBSSA-N 1 0 236.340 2.063 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CNCC[C@@H]2C)CC1 ZINC000925835397 646502328 /nfs/dbraw/zinc/50/23/28/646502328.db2.gz OPQDUPGOPJEEIK-JSGCOSHPSA-N 1 0 222.376 2.320 20 30 BEEDRO Cc1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1C#N ZINC000925838609 646506364 /nfs/dbraw/zinc/50/63/64/646506364.db2.gz MHVDVTYZXOURPR-CQSZACIVSA-N 1 0 243.354 2.097 20 30 BEEDRO CC[C@H](C[C@](C)(O)CC)[NH2+]CCCC#N ZINC000926131249 646580937 /nfs/dbraw/zinc/58/09/37/646580937.db2.gz CXGIYYSCTRUZKE-VXGBXAGGSA-N 1 0 212.337 2.209 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926152176 646583208 /nfs/dbraw/zinc/58/32/08/646583208.db2.gz FJSPGIHENKVWCG-VXGBXAGGSA-N 1 0 249.358 2.196 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926152503 646583309 /nfs/dbraw/zinc/58/33/09/646583309.db2.gz IINNEVDJUSHSAH-WCQYABFASA-N 1 0 249.358 2.196 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926155665 646585289 /nfs/dbraw/zinc/58/52/89/646585289.db2.gz YMURCMNFTISNJW-JOYOIKCWSA-N 1 0 239.290 2.119 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000926203506 646594539 /nfs/dbraw/zinc/59/45/39/646594539.db2.gz REVCBANNXAGOAN-RZFFKMDDSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C#N)cn1 ZINC000926227510 646598618 /nfs/dbraw/zinc/59/86/18/646598618.db2.gz DLYCGWCAVUSCTM-LLVKDONJSA-N 1 0 242.326 2.371 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000926230018 646600845 /nfs/dbraw/zinc/60/08/45/646600845.db2.gz XTAHGGSSTCLJPK-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000926318090 646615799 /nfs/dbraw/zinc/61/57/99/646615799.db2.gz TYBAFDRZWMUZOG-KMUNFCNLSA-N 1 0 242.322 2.170 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccnnc1 ZINC000926342921 646620687 /nfs/dbraw/zinc/62/06/87/646620687.db2.gz OGBZYGTYMMOWAK-XBFCOCLRSA-N 1 0 247.342 2.108 20 30 BEEDRO Cc1nonc1[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000926355439 646625252 /nfs/dbraw/zinc/62/52/52/646625252.db2.gz HLOCXOXHIQHXQT-GCVQQVDUSA-N 1 0 248.330 2.359 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926449361 646642299 /nfs/dbraw/zinc/64/22/99/646642299.db2.gz FSEPTMPCYJNZOV-MNOVXSKESA-N 1 0 246.358 2.185 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723994317 711552206 /nfs/dbraw/zinc/55/22/06/711552206.db2.gz MIJGKPOWOOCMHF-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cncnc2)CC1 ZINC000724490289 711584719 /nfs/dbraw/zinc/58/47/19/711584719.db2.gz YNDIZGSEFKDPOJ-UHFFFAOYSA-N 1 0 217.316 2.313 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(OC)CCSC1 ZINC000719267834 711669835 /nfs/dbraw/zinc/66/98/35/711669835.db2.gz NBBBZJNZCKWUIJ-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=C(C)CC[NH2+]C1CCC2(CC1)OCCO2 ZINC000395283922 711693549 /nfs/dbraw/zinc/69/35/49/711693549.db2.gz BAEZJFSSSBJQBO-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C(Br)C[NH2+]C[C@@H]1CCC=CO1 ZINC000168236307 711831744 /nfs/dbraw/zinc/83/17/44/711831744.db2.gz LVDMGKMBJSIOQV-VIFPVBQESA-N 1 0 232.121 2.177 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)c(C)c1 ZINC000921985289 711951098 /nfs/dbraw/zinc/95/10/98/711951098.db2.gz QCNOKIFZONIUME-UHFFFAOYSA-N 1 0 218.300 2.397 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000701905640 712031810 /nfs/dbraw/zinc/03/18/10/712031810.db2.gz LTFOOUHATGLTIQ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCSCC[NH2+]C1CCC(C)(O)CC1 ZINC000703003861 712063960 /nfs/dbraw/zinc/06/39/60/712063960.db2.gz RBCMBYINLXNFEW-UHFFFAOYSA-N 1 0 229.389 2.189 20 30 BEEDRO CCCCCCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000703760220 712086750 /nfs/dbraw/zinc/08/67/50/712086750.db2.gz DWEIKYGUDHRKMA-CQSZACIVSA-N 1 0 240.391 2.463 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(Cl)cn1)C(C)C ZINC000703893995 712092388 /nfs/dbraw/zinc/09/23/88/712092388.db2.gz PGESZKBNWCDYPD-LBPRGKRZSA-N 1 0 222.719 2.482 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000707779673 712178599 /nfs/dbraw/zinc/17/85/99/712178599.db2.gz UYEUUHFETUTCRN-NSHDSACASA-N 1 0 238.375 2.236 20 30 BEEDRO C#CC1(O)CC[NH+](CCCCC(C)(C)C#N)CC1 ZINC000708152438 712183501 /nfs/dbraw/zinc/18/35/01/712183501.db2.gz PGDAPSSWAKEGCJ-UHFFFAOYSA-N 1 0 248.370 2.167 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709983765 712237205 /nfs/dbraw/zinc/23/72/05/712237205.db2.gz XJSOEVPRUGYCSL-JTQLQIEISA-N 1 0 248.374 2.455 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711399742 712297906 /nfs/dbraw/zinc/29/79/06/712297906.db2.gz FECXXNJQGDKVNQ-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO C#CCCCC[NH2+]Cc1conc1CC ZINC000378696214 712358132 /nfs/dbraw/zinc/35/81/32/712358132.db2.gz LCMDLEOYHNDKNB-UHFFFAOYSA-N 1 0 206.289 2.130 20 30 BEEDRO C=CCN[NH+]=C1CCCc2ccc(N)cc21 ZINC000378854942 712367348 /nfs/dbraw/zinc/36/73/48/712367348.db2.gz JIYWUNZBURKNKG-UHFFFAOYSA-N 1 0 215.300 2.085 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000379387447 712380266 /nfs/dbraw/zinc/38/02/66/712380266.db2.gz HJDIGZNTDUTBGK-ZJUUUORDSA-N 1 0 203.713 2.144 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000712377752 712428315 /nfs/dbraw/zinc/42/83/15/712428315.db2.gz OUMFDPJTLQILAQ-CHWSQXEVSA-N 1 0 221.344 2.480 20 30 BEEDRO C[N@@H+]1CC[C@@H]1CNc1ccc(Cl)cc1C#N ZINC000712593169 712435172 /nfs/dbraw/zinc/43/51/72/712435172.db2.gz CMCBASHKHBVFEU-LLVKDONJSA-N 1 0 235.718 2.328 20 30 BEEDRO C=C(Cl)CN(C)C1(C[NH3+])CCCCC1 ZINC000713344897 712458484 /nfs/dbraw/zinc/45/84/84/712458484.db2.gz SIUNPSLRZPUSEV-UHFFFAOYSA-N 1 0 216.756 2.332 20 30 BEEDRO CCCCCCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716116312 712550522 /nfs/dbraw/zinc/55/05/22/712550522.db2.gz YWTKDTPYKFPFAT-UHFFFAOYSA-N 1 0 247.404 2.122 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(C(C)(C)O)CC1 ZINC000716405910 712558949 /nfs/dbraw/zinc/55/89/49/712558949.db2.gz IYXJPLVKSBXQPN-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CCCCCC1 ZINC000716927866 712596479 /nfs/dbraw/zinc/59/64/79/712596479.db2.gz DKJDTLVNDKOPQY-CYBMUJFWSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000716930001 712596542 /nfs/dbraw/zinc/59/65/42/712596542.db2.gz WLMFSMNVJGEQOK-MGPQQGTHSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H](C)C(C)(C)C ZINC000716929414 712596388 /nfs/dbraw/zinc/59/63/88/712596388.db2.gz SFDARJFNCQDZHM-NWDGAFQWSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CCC2(CC2)CC1 ZINC000716954579 712599555 /nfs/dbraw/zinc/59/95/55/712599555.db2.gz AMHGVWKIPFTVGK-CYBMUJFWSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCC1(O)CC[NH+](CCC(C)(C)OC)CC1 ZINC000717403590 712655632 /nfs/dbraw/zinc/65/56/32/712655632.db2.gz AQRZVFQGJHMCSQ-UHFFFAOYSA-N 1 0 241.375 2.205 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)C ZINC000717710704 712666241 /nfs/dbraw/zinc/66/62/41/712666241.db2.gz SBBFIUBACGAJBA-RYUDHWBXSA-N 1 0 211.349 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)cc(C)cc1C ZINC000717738914 712668154 /nfs/dbraw/zinc/66/81/54/712668154.db2.gz GGEQDFVXNLXEKW-CQSZACIVSA-N 1 0 231.339 2.086 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000717762185 712674429 /nfs/dbraw/zinc/67/44/29/712674429.db2.gz ALOOEMXJOKHBDN-HBNTYKKESA-N 1 0 249.276 2.081 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000717823938 712681414 /nfs/dbraw/zinc/68/14/14/712681414.db2.gz TZDSDQHHHBHRDK-CHWSQXEVSA-N 1 0 221.344 2.073 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000717840272 712686954 /nfs/dbraw/zinc/68/69/54/712686954.db2.gz FTSZBSFAVHQGDT-OLZOCXBDSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C)co1 ZINC000718145526 712748799 /nfs/dbraw/zinc/74/87/99/712748799.db2.gz NZGGSJJZOIOQML-UHFFFAOYSA-N 1 0 209.314 2.044 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718810633 712783589 /nfs/dbraw/zinc/78/35/89/712783589.db2.gz FHRDLIZQTJBNNC-AGIUHOORSA-N 1 0 209.333 2.336 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)C#N)CC1 ZINC000718816169 712784205 /nfs/dbraw/zinc/78/42/05/712784205.db2.gz WMSJUPGSHVCDIX-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719711926 712823505 /nfs/dbraw/zinc/82/35/05/712823505.db2.gz UTDWXUSFOYEDKK-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C#CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000380227092 712833480 /nfs/dbraw/zinc/83/34/80/712833480.db2.gz KNSJJMRENMSJTR-AWEZNQCLSA-N 1 0 201.313 2.477 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000720433305 712842407 /nfs/dbraw/zinc/84/24/07/712842407.db2.gz PNXFCICQIHJMIL-LSDHHAIUSA-N 1 0 234.387 2.349 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@H]2C)CC1 ZINC000380253025 712846378 /nfs/dbraw/zinc/84/63/78/712846378.db2.gz PQTJWYRBRDFSMH-YPMHNXCESA-N 1 0 208.349 2.025 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720850204 712870611 /nfs/dbraw/zinc/87/06/11/712870611.db2.gz NIUGVMHEHLKDQJ-ZOBORPQBSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]([NH2+]CC(CC)CC)[C@@H]1CCCO1 ZINC000380335974 712888053 /nfs/dbraw/zinc/88/80/53/712888053.db2.gz PZLGEKNUSFSXTF-STQMWFEESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(F)c2cccnc12 ZINC000196395742 1167472802 /nfs/dbraw/zinc/47/28/02/1167472802.db2.gz CMPALTPGGOOLMD-UHFFFAOYSA-N 1 0 228.270 2.439 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000380361013 712897347 /nfs/dbraw/zinc/89/73/47/712897347.db2.gz YKEUHRSYQOIYHE-STQMWFEESA-N 1 0 212.381 2.497 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@H](CO)C1CC1 ZINC000381289326 710617373 /nfs/dbraw/zinc/61/73/73/710617373.db2.gz AYYQJYWMDHSMOP-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CCCC1)[C@H]1CCCO1 ZINC000381348216 710625594 /nfs/dbraw/zinc/62/55/94/710625594.db2.gz ZQHGEOWMEXWWDT-KWCYVHTRSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000381396464 710631600 /nfs/dbraw/zinc/63/16/00/710631600.db2.gz AGWJEHZBMJKDNN-UHFFFAOYSA-N 1 0 212.296 2.370 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000381381768 710630353 /nfs/dbraw/zinc/63/03/53/710630353.db2.gz LMTLNZSNCJEXBZ-LLVKDONJSA-N 1 0 240.734 2.070 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CCOCC1)C(C)C ZINC000381451017 710638350 /nfs/dbraw/zinc/63/83/50/710638350.db2.gz GWKKUGLFJALYDJ-GXTWGEPZSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(C(C)C)C1)[C@H]1CCCO1 ZINC000381454469 710638666 /nfs/dbraw/zinc/63/86/66/710638666.db2.gz HWWGCVHBDYMDSV-CLRIEMFWSA-N 1 0 221.344 2.191 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000381457440 710640097 /nfs/dbraw/zinc/64/00/97/710640097.db2.gz JUJLJJFYHXQIDF-STQMWFEESA-N 1 0 241.400 2.148 20 30 BEEDRO Cc1ncc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000381611158 710660905 /nfs/dbraw/zinc/66/09/05/710660905.db2.gz UMISFMAMZLKFSV-GHMZBOCLSA-N 1 0 235.356 2.276 20 30 BEEDRO Cc1ncc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000381611165 710661191 /nfs/dbraw/zinc/66/11/91/710661191.db2.gz UMISFMAMZLKFSV-WDEREUQCSA-N 1 0 235.356 2.276 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC#N)CCO1 ZINC000721847529 710686776 /nfs/dbraw/zinc/68/67/76/710686776.db2.gz ORVQAAJQCDOPTN-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001039318145 710724560 /nfs/dbraw/zinc/72/45/60/710724560.db2.gz YRARXKMOILMGMD-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000381828337 710724591 /nfs/dbraw/zinc/72/45/91/710724591.db2.gz NADYGFHIXMDIIG-IGQOVBAYSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001039317358 710724850 /nfs/dbraw/zinc/72/48/50/710724850.db2.gz IVWOBCVFDMZLAP-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CCO)c1cccs1 ZINC000381830402 710725148 /nfs/dbraw/zinc/72/51/48/710725148.db2.gz NMLCRVSUBFBPDL-NSHDSACASA-N 1 0 238.356 2.455 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001039315894 710725217 /nfs/dbraw/zinc/72/52/17/710725217.db2.gz DAVYKYSSQSSMGU-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723624698 710729685 /nfs/dbraw/zinc/72/96/85/710729685.db2.gz LSNSOQUXGOXZRS-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(CSC)cc1 ZINC000725076257 710754735 /nfs/dbraw/zinc/75/47/35/710754735.db2.gz GAMIGFXWARNULG-CQSZACIVSA-N 1 0 249.379 2.023 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@@H]21 ZINC001042002696 710773440 /nfs/dbraw/zinc/77/34/40/710773440.db2.gz KSLWDPZOAIJGLC-KYYFYTAESA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000382108460 710786254 /nfs/dbraw/zinc/78/62/54/710786254.db2.gz JKFXJBBKICFHMA-CMPLNLGQSA-N 1 0 223.291 2.332 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000384224842 710835568 /nfs/dbraw/zinc/83/55/68/710835568.db2.gz UTNRZZXIRASSCA-KBPBESRZSA-N 1 0 235.302 2.251 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000384193142 710815074 /nfs/dbraw/zinc/81/50/74/710815074.db2.gz ICUDZEYIYBLXPJ-FZMZJTMJSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)[C@@H](C)C1 ZINC001044433167 710826662 /nfs/dbraw/zinc/82/66/62/710826662.db2.gz RKEJINIVKMZSGW-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccoc2)[C@H](C)C1 ZINC001044458497 710826695 /nfs/dbraw/zinc/82/66/95/710826695.db2.gz OFFHHWXJKUCOPN-YPMHNXCESA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC001044428986 710827071 /nfs/dbraw/zinc/82/70/71/710827071.db2.gz ZQSQTAUFQPCJDK-NWDGAFQWSA-N 1 0 248.326 2.048 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C2CC=CC2)C1 ZINC001046208385 710855405 /nfs/dbraw/zinc/85/54/05/710855405.db2.gz QVAPEVGLOBBWHC-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903119165 710894119 /nfs/dbraw/zinc/89/41/19/710894119.db2.gz HFXULVLDWPYFJI-GFCCVEGCSA-N 1 0 239.384 2.044 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000903102362 710891674 /nfs/dbraw/zinc/89/16/74/710891674.db2.gz WYMJRHRKMDGVNM-QWHCGFSZSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC ZINC001049266898 710898073 /nfs/dbraw/zinc/89/80/73/710898073.db2.gz WSTUCCRRBYVRBA-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC ZINC001049280513 710898709 /nfs/dbraw/zinc/89/87/09/710898709.db2.gz VHHYCARMHIQLTG-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000677047914 710924669 /nfs/dbraw/zinc/92/46/69/710924669.db2.gz KNZBIIQRFFZOBK-NSHDSACASA-N 1 0 247.342 2.359 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C2=CCCC2)C[C@H]1C ZINC001054572657 710938188 /nfs/dbraw/zinc/93/81/88/710938188.db2.gz XGWIUEXZKLXPQF-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ncc(Cl)n1C ZINC000385108133 711005525 /nfs/dbraw/zinc/00/55/25/711005525.db2.gz CMAXCUVPWZXIFI-UHFFFAOYSA-N 1 0 227.739 2.375 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000385432604 711013598 /nfs/dbraw/zinc/01/35/98/711013598.db2.gz NUXGGPKKJTVIRC-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H](C)[NH2+]CC ZINC000386129830 711023227 /nfs/dbraw/zinc/02/32/27/711023227.db2.gz DUDOSQHVQAPKOY-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](COC)CC(C)C ZINC000388584579 711062863 /nfs/dbraw/zinc/06/28/63/711062863.db2.gz HCIRPTOGXIHWAB-JTQLQIEISA-N 1 0 205.729 2.390 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)CCO1 ZINC000388667539 711064590 /nfs/dbraw/zinc/06/45/90/711064590.db2.gz GVUDXDRDRJWWTF-GDBMZVCRSA-N 1 0 243.350 2.443 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](NCC#Cc2ccccc2)C1 ZINC000389227364 711073329 /nfs/dbraw/zinc/07/33/29/711073329.db2.gz HPTYZFOWEMRHNZ-MRXNPFEDSA-N 1 0 242.366 2.112 20 30 BEEDRO CCCC[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000389409369 711078184 /nfs/dbraw/zinc/07/81/84/711078184.db2.gz NQHJMDCMSFIKFG-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000389704964 711086903 /nfs/dbraw/zinc/08/69/03/711086903.db2.gz KRKKEDBDPQBNTL-IJLUTSLNSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)nn1C ZINC000389855793 711092386 /nfs/dbraw/zinc/09/23/86/711092386.db2.gz AWBQMYAHRWFSME-KOLCDFICSA-N 1 0 207.321 2.344 20 30 BEEDRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)CC#N ZINC000389872882 711093557 /nfs/dbraw/zinc/09/35/57/711093557.db2.gz KFGOBJQNFRRVPZ-SNVBAGLBSA-N 1 0 212.337 2.065 20 30 BEEDRO CCCCCCCCC(=O)N[C@@H](C)C[NH2+]C ZINC000390226414 711109893 /nfs/dbraw/zinc/10/98/93/711109893.db2.gz CJFAHCFLYIFXTN-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C#C)C(C)C)cc1 ZINC000390349720 711112795 /nfs/dbraw/zinc/11/27/95/711112795.db2.gz OZFFYLQMWTVESJ-HNNXBMFYSA-N 1 0 211.308 2.415 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C1(C(N)=O)CC1 ZINC000390422133 711116377 /nfs/dbraw/zinc/11/63/77/711116377.db2.gz KJFRTNDPXLQHLC-NSHDSACASA-N 1 0 224.348 2.119 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000390529633 711123606 /nfs/dbraw/zinc/12/36/06/711123606.db2.gz IAFPBXQKIYJGES-JSGCOSHPSA-N 1 0 222.376 2.415 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H]2C)CC1 ZINC000390529651 711124209 /nfs/dbraw/zinc/12/42/09/711124209.db2.gz IAFPBXQKIYJGES-TZMCWYRMSA-N 1 0 222.376 2.415 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000393208434 711154728 /nfs/dbraw/zinc/15/47/28/711154728.db2.gz HTOPVHXSJSDXAP-TUAOUCFPSA-N 1 0 209.358 2.131 20 30 BEEDRO C#CCC[NH2+][C@](C)(CC)c1nccs1 ZINC000393689915 711169523 /nfs/dbraw/zinc/16/95/23/711169523.db2.gz KTHYHBKYKMKBQH-LLVKDONJSA-N 1 0 208.330 2.381 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C1CCN(OCC)CC1 ZINC000393817249 711175777 /nfs/dbraw/zinc/17/57/77/711175777.db2.gz YSLQXHUTVGZWGG-GFCCVEGCSA-N 1 0 226.364 2.347 20 30 BEEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1)C(C)(C)O ZINC000393982956 711181795 /nfs/dbraw/zinc/18/17/95/711181795.db2.gz WAMKSPSZBHDEEZ-CQSZACIVSA-N 1 0 231.339 2.177 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001071279617 711182482 /nfs/dbraw/zinc/18/24/82/711182482.db2.gz VWJZCPAAUXJEMV-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000394425439 711191236 /nfs/dbraw/zinc/19/12/36/711191236.db2.gz BNBUPIRQVQCHSW-WCBMZHEXSA-N 1 0 205.729 2.390 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001071419892 711191792 /nfs/dbraw/zinc/19/17/92/711191792.db2.gz GJGSCMFAOGUUAU-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCCCCCCNC1=[NH+]CCCN1C ZINC000395135853 711203018 /nfs/dbraw/zinc/20/30/18/711203018.db2.gz SDCGERHLYRKTMN-UHFFFAOYSA-N 1 0 223.364 2.404 20 30 BEEDRO CCNC(NC[C@H](C)C(C)(C)C)=[NH+]CC ZINC000395702629 711214768 /nfs/dbraw/zinc/21/47/68/711214768.db2.gz GKVVWFWEXQDEIN-JTQLQIEISA-N 1 0 213.369 2.244 20 30 BEEDRO CCNC(NCCSC(C)(C)C)=[NH+]CC ZINC000398298497 711406319 /nfs/dbraw/zinc/40/63/19/711406319.db2.gz KYZLPYPEARFVMU-UHFFFAOYSA-N 1 0 231.409 2.093 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CN(C)C[C@H]2C)CC1 ZINC000724565353 710742348 /nfs/dbraw/zinc/74/23/48/710742348.db2.gz CWRJOWHHMSKAKN-OCCSQVGLSA-N 1 0 222.376 2.273 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)C=C(C)C)C[C@@H]21 ZINC001041903876 710770795 /nfs/dbraw/zinc/77/07/95/710770795.db2.gz LOOGODGPEBUTMK-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccccc1 ZINC000384210264 710833996 /nfs/dbraw/zinc/83/39/96/710833996.db2.gz OPQDYVUJYOYXFN-AWEZNQCLSA-N 1 0 230.311 2.017 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccoc2)C1 ZINC001046144634 710852068 /nfs/dbraw/zinc/85/20/68/710852068.db2.gz ABTBTFMKKVPBSV-CQSZACIVSA-N 1 0 248.326 2.050 20 30 BEEDRO COC[C@H]([NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000903102440 710890710 /nfs/dbraw/zinc/89/07/10/710890710.db2.gz ZQLWKGOJGFJBQN-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001054970749 710943713 /nfs/dbraw/zinc/94/37/13/710943713.db2.gz HUSXEBYMPRYVPN-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CO)C1CCCCC1 ZINC000385952553 711020304 /nfs/dbraw/zinc/02/03/04/711020304.db2.gz DAFAUMULTNDFJU-LLVKDONJSA-N 1 0 217.740 2.270 20 30 BEEDRO Cc1nnc([C@@H](C)[NH2+]CC(C)(C)CCC#N)[nH]1 ZINC000392386648 711146547 /nfs/dbraw/zinc/14/65/47/711146547.db2.gz QLZPVCGLDKFAID-SECBINFHSA-N 1 0 235.335 2.094 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071350775 711188964 /nfs/dbraw/zinc/18/89/64/711188964.db2.gz ZMOLRAVCGIQUEQ-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1ccc(OC)cc1 ZINC000395197371 711205029 /nfs/dbraw/zinc/20/50/29/711205029.db2.gz DLHFDCJGQWAWGW-HNNXBMFYSA-N 1 0 247.338 2.466 20 30 BEEDRO N#CCCOCC[NH+]1CCCCCCC1 ZINC000395328466 711208282 /nfs/dbraw/zinc/20/82/82/711208282.db2.gz ALKDUJYZHCUBJF-UHFFFAOYSA-N 1 0 210.321 2.183 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCN[C@@H]1C ZINC000396651093 711363610 /nfs/dbraw/zinc/36/36/10/711363610.db2.gz DNUQLPBVPJHFFT-NEPJUHHUSA-N 1 0 210.365 2.319 20 30 BEEDRO N#CCC1CC[NH+](CCCCCCO)CC1 ZINC000397256225 711379853 /nfs/dbraw/zinc/37/98/53/711379853.db2.gz XTMFISIQDPUZQS-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000397786534 711391344 /nfs/dbraw/zinc/39/13/44/711391344.db2.gz YJLPEPCBZQPZON-UONOGXRCSA-N 1 0 236.403 2.356 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](C)C[C@H]1CC(C)C ZINC000933246968 711507924 /nfs/dbraw/zinc/50/79/24/711507924.db2.gz OCTCTXBPHHTMPS-GFCCVEGCSA-N 1 0 230.783 2.401 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723644918 711529469 /nfs/dbraw/zinc/52/94/69/711529469.db2.gz STGIWHDUCIUFBW-RWMBFGLXSA-N 1 0 236.359 2.331 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCOC1 ZINC000724000746 711553410 /nfs/dbraw/zinc/55/34/10/711553410.db2.gz RYZBLAAVDGBPJZ-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCOC1 ZINC000724009824 711555029 /nfs/dbraw/zinc/55/50/29/711555029.db2.gz AAHLANFJXHHVCG-FZMZJTMJSA-N 1 0 248.326 2.446 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000724163409 711566001 /nfs/dbraw/zinc/56/60/01/711566001.db2.gz PJBRAUWUZFLTNP-CABCVRRESA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2cncc(C#N)c2)C1 ZINC000721500291 711566961 /nfs/dbraw/zinc/56/69/61/711566961.db2.gz LYBAMBUVWAHICV-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724231690 711571508 /nfs/dbraw/zinc/57/15/08/711571508.db2.gz ABWIWOQMALBSIV-MYJAWHEDSA-N 1 0 248.164 2.441 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCOCC1 ZINC000450691407 711577906 /nfs/dbraw/zinc/57/79/06/711577906.db2.gz INHZGAUOQREAPH-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CCC2(OC)OC)CC1 ZINC000724440400 711580627 /nfs/dbraw/zinc/58/06/27/711580627.db2.gz APVJQTZFAUNNCN-CYBMUJFWSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC[C@H]1CCN1[C@H](C)C(=O)OC(C)(C)C ZINC000934469444 711587705 /nfs/dbraw/zinc/58/77/05/711587705.db2.gz UMUQJSUKXDAUMG-MNOVXSKESA-N 1 0 225.332 2.367 20 30 BEEDRO C=CC[C@@H]1CCN1Cc1csc(COC)n1 ZINC000934469333 711587804 /nfs/dbraw/zinc/58/78/04/711587804.db2.gz SJTMEZWOGSJLOZ-LLVKDONJSA-N 1 0 238.356 2.440 20 30 BEEDRO CC[C@]1(C)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000308831830 711590225 /nfs/dbraw/zinc/59/02/25/711590225.db2.gz UJWNICFDLDCWJL-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)CN1CCOCC1 ZINC000156818957 711617866 /nfs/dbraw/zinc/61/78/66/711617866.db2.gz VKONCSCTNMVXDH-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO CCC[C@@]1([NH2+]Cc2cncc(C#N)c2)CCOC1 ZINC000721544126 711620954 /nfs/dbraw/zinc/62/09/54/711620954.db2.gz JSIVYNYPBPSOLT-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CCCCC ZINC000717795713 711623041 /nfs/dbraw/zinc/62/30/41/711623041.db2.gz VVSZLOBZXCIAIR-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cncc(C#N)c1 ZINC000721557225 711624959 /nfs/dbraw/zinc/62/49/59/711624959.db2.gz AFSGOHHYKLCFGV-GHMZBOCLSA-N 1 0 215.300 2.326 20 30 BEEDRO C#CC[N@@H+](CCC)C[C@H]1COc2ccccc2O1 ZINC000052927478 711645166 /nfs/dbraw/zinc/64/51/66/711645166.db2.gz XFKOIKZTBGUZGM-ZDUSSCGKSA-N 1 0 245.322 2.172 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@H](CCO)C1CCCC1 ZINC000725076174 711649941 /nfs/dbraw/zinc/64/99/41/711649941.db2.gz BKWMSDLQHYCIBX-WCQYABFASA-N 1 0 224.348 2.209 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H](CCO)C2CCCC2)o1 ZINC000725090015 711650873 /nfs/dbraw/zinc/65/08/73/711650873.db2.gz UPXKWBRSNLVNIG-AWEZNQCLSA-N 1 0 248.326 2.182 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725112895 711652437 /nfs/dbraw/zinc/65/24/37/711652437.db2.gz OAIFPKVYBUQNAD-ZDUSSCGKSA-N 1 0 224.348 2.211 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721593478 711656075 /nfs/dbraw/zinc/65/60/75/711656075.db2.gz LSJBIXJFOSBBHM-GRYCIOLGSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(Cl)CN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177838402 711672535 /nfs/dbraw/zinc/67/25/35/711672535.db2.gz ISBMMPPJEBUDTO-NSHDSACASA-N 1 0 216.756 2.013 20 30 BEEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCO[C@H](C)C#N ZINC000393756745 711677381 /nfs/dbraw/zinc/67/73/81/711677381.db2.gz BNVZFATYQREQJS-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)C(C)(C)C ZINC000309747357 711689231 /nfs/dbraw/zinc/68/92/31/711689231.db2.gz JMEIKZNXPSKIQJ-AVGNSLFASA-N 1 0 223.360 2.439 20 30 BEEDRO CSC(C)(C)CC[NH2+]C[C@H](C)C#N ZINC000385298323 711690076 /nfs/dbraw/zinc/69/00/76/711690076.db2.gz JQLISJSPSDKOBV-SECBINFHSA-N 1 0 200.351 2.267 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000395194998 711693110 /nfs/dbraw/zinc/69/31/10/711693110.db2.gz CBFWHHKSPRCZSD-AWEZNQCLSA-N 1 0 248.301 2.156 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000395390092 711694324 /nfs/dbraw/zinc/69/43/24/711694324.db2.gz OOASUPRMMXASHN-UHFFFAOYSA-N 1 0 249.310 2.423 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000721384183 711719227 /nfs/dbraw/zinc/71/92/27/711719227.db2.gz BQSXNPXGRPNFGZ-GMTAPVOTSA-N 1 0 249.276 2.488 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccco1 ZINC001027724254 711733189 /nfs/dbraw/zinc/73/31/89/711733189.db2.gz QFHKPYRBXIZOJF-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253092529 711775430 /nfs/dbraw/zinc/77/54/30/711775430.db2.gz LCJRCAFHIOTYGK-MCIONIFRSA-N 1 0 221.344 2.025 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000895100038 711776506 /nfs/dbraw/zinc/77/65/06/711776506.db2.gz NSAIFKJITQMBBW-MGPQQGTHSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000895100036 711776609 /nfs/dbraw/zinc/77/66/09/711776609.db2.gz NSAIFKJITQMBBW-HZSPNIEDSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[N@H+](Cc1ccc2c(c1)ncn2C)C(C)C ZINC000897170567 711784818 /nfs/dbraw/zinc/78/48/18/711784818.db2.gz BQKRWAMEAKGIMS-UHFFFAOYSA-N 1 0 241.338 2.417 20 30 BEEDRO C#CC[N@H+](Cc1ccc2oc(=O)oc2c1)C(C)C ZINC000897170779 711784886 /nfs/dbraw/zinc/78/48/86/711784886.db2.gz HLXFUIVGKDGDAJ-UHFFFAOYSA-N 1 0 245.278 2.230 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000897232196 711785218 /nfs/dbraw/zinc/78/52/18/711785218.db2.gz OLXKHOLQNURCFG-LLVKDONJSA-N 1 0 246.358 2.327 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000872218067 711789341 /nfs/dbraw/zinc/78/93/41/711789341.db2.gz FYAUQDZBALOLOX-SDDRHHMPSA-N 1 0 242.338 2.157 20 30 BEEDRO C[C@@H]1C(N=Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000872339890 711789577 /nfs/dbraw/zinc/78/95/77/711789577.db2.gz CXPZYCGELHUMDD-SNVBAGLBSA-N 1 0 228.299 2.050 20 30 BEEDRO CCN(CC)c1ccc(C=[NH+]N2CCC2)c(O)c1 ZINC000872394737 711789918 /nfs/dbraw/zinc/78/99/18/711789918.db2.gz KNYNPNISBPRNHB-UHFFFAOYSA-N 1 0 247.342 2.278 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](COC)C(C)C ZINC000721904821 711813705 /nfs/dbraw/zinc/81/37/05/711813705.db2.gz RATFESYAWQMWCO-CHWSQXEVSA-N 1 0 211.349 2.297 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000166689936 711827396 /nfs/dbraw/zinc/82/73/96/711827396.db2.gz FXVJRULPUAYCFI-SECBINFHSA-N 1 0 218.256 2.015 20 30 BEEDRO C#CCN[NH+]=Cc1ccc(N(CC)CC)c(F)c1 ZINC000835008339 711865142 /nfs/dbraw/zinc/86/51/42/711865142.db2.gz YLGQIHIYJYYDHZ-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)C(C)C ZINC000921750187 711938333 /nfs/dbraw/zinc/93/83/33/711938333.db2.gz OOITYRKDSKXDQY-OAHLLOKOSA-N 1 0 246.354 2.282 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccccc2)C1 ZINC001032876823 711965554 /nfs/dbraw/zinc/96/55/54/711965554.db2.gz OXIUCAIXTYYRKM-AWEZNQCLSA-N 1 0 244.338 2.019 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C2CC=CC2)C1 ZINC001032982034 711970407 /nfs/dbraw/zinc/97/04/07/711970407.db2.gz RQDYNGKBYALQPA-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO N#CCC[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000361115902 711979132 /nfs/dbraw/zinc/97/91/32/711979132.db2.gz YWNLPVDLHPXEML-UHFFFAOYSA-N 1 0 230.311 2.057 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cncc(OC)c1 ZINC000700089032 711986136 /nfs/dbraw/zinc/98/61/36/711986136.db2.gz WHKZRTMCNFNOET-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CCCC[NH2+]Cc1cncc(OC)c1 ZINC000700093302 711986213 /nfs/dbraw/zinc/98/62/13/711986213.db2.gz VZRVTJQNKORULN-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2ccoc2)C1 ZINC001033757132 712018594 /nfs/dbraw/zinc/01/85/94/712018594.db2.gz RVTTUJATUWESMU-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000701709574 712027988 /nfs/dbraw/zinc/02/79/88/712027988.db2.gz TURGZVAWLIROSB-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)cc1C#N ZINC000701871508 712030929 /nfs/dbraw/zinc/03/09/29/712030929.db2.gz IGENAJRSYHTHDS-TYNCELHUSA-N 1 0 244.338 2.380 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)cc1C#N ZINC000701871507 712030932 /nfs/dbraw/zinc/03/09/32/712030932.db2.gz IGENAJRSYHTHDS-SLEUVZQESA-N 1 0 244.338 2.380 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701860601 712031403 /nfs/dbraw/zinc/03/14/03/712031403.db2.gz FWAHAVCNHMFLIP-DZGCQCFKSA-N 1 0 244.338 2.381 20 30 BEEDRO CCCCCCCC[N@@H+]1CCOC[C@H]1CCO ZINC000702197784 712040851 /nfs/dbraw/zinc/04/08/51/712040851.db2.gz RRXWFNICESRFPE-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C(C)(C)C ZINC000702257628 712042145 /nfs/dbraw/zinc/04/21/45/712042145.db2.gz SFBBTUMMADEXAT-WOPDTQHZSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@](C)(CC)OC)C(C)(C)C ZINC000702227133 712043431 /nfs/dbraw/zinc/04/34/31/712043431.db2.gz IFXCADNTRUCBCL-YPMHNXCESA-N 1 0 211.349 2.439 20 30 BEEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2=CCCC2)CC1 ZINC001034622582 712073381 /nfs/dbraw/zinc/07/33/81/712073381.db2.gz JLFTZIMNTBRRIG-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO COC1CC(C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000703394998 712075506 /nfs/dbraw/zinc/07/55/06/712075506.db2.gz DQUPGPOPDQHOHL-UHFFFAOYSA-N 1 0 244.338 2.415 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000703712722 712084488 /nfs/dbraw/zinc/08/44/88/712084488.db2.gz DTCKFTSJKGPBEU-CHWSQXEVSA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000703749363 712084829 /nfs/dbraw/zinc/08/48/29/712084829.db2.gz WPFDDPJCDMYTQM-CQSZACIVSA-N 1 0 242.407 2.267 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000703751453 712084951 /nfs/dbraw/zinc/08/49/51/712084951.db2.gz CJVCLSHMJIKDRV-QWRGUYRKSA-N 1 0 214.353 2.056 20 30 BEEDRO CCCCCCCNC(=O)CC(C)(C)[NH3+] ZINC000703753554 712085138 /nfs/dbraw/zinc/08/51/38/712085138.db2.gz OLXIIXXNSJHIBK-UHFFFAOYSA-N 1 0 214.353 2.200 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000703756405 712085242 /nfs/dbraw/zinc/08/52/42/712085242.db2.gz LZYAJFQHPBCROL-VXGBXAGGSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000703726159 712085994 /nfs/dbraw/zinc/08/59/94/712085994.db2.gz DIOUJFGOUWYOTA-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000703762552 712086810 /nfs/dbraw/zinc/08/68/10/712086810.db2.gz VLRRSWVLHPEYGK-QWHCGFSZSA-N 1 0 240.391 2.448 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000706421067 712145973 /nfs/dbraw/zinc/14/59/73/712145973.db2.gz ZFNNEBTTZNWQME-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCC12CC2 ZINC000706577933 712149895 /nfs/dbraw/zinc/14/98/95/712149895.db2.gz VKOCUXNBWTYJOC-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCC12CC2 ZINC000706577934 712150157 /nfs/dbraw/zinc/15/01/57/712150157.db2.gz VKOCUXNBWTYJOC-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO CC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCC1 ZINC000706802593 712155952 /nfs/dbraw/zinc/15/59/52/712155952.db2.gz QXSNTIAXESLEOC-OAHLLOKOSA-N 1 0 244.338 2.466 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c1F ZINC000706963974 712160860 /nfs/dbraw/zinc/16/08/60/712160860.db2.gz APJGRYBFBPWVDA-SKDRFNHKSA-N 1 0 216.259 2.292 20 30 BEEDRO C#CC1(O)CC[NH+](CCCC2CCC2)CC1 ZINC000708087585 712181558 /nfs/dbraw/zinc/18/15/58/712181558.db2.gz IXQUKRZQGMESCZ-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC000708114824 712182037 /nfs/dbraw/zinc/18/20/37/712182037.db2.gz FFIZLRNVFLYXKB-ZDUSSCGKSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC1(O)CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000708134970 712182797 /nfs/dbraw/zinc/18/27/97/712182797.db2.gz WDVOUURVAYJTSF-AWEZNQCLSA-N 1 0 233.355 2.335 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CC(C)(C)OC1(C)C ZINC000709704560 712216323 /nfs/dbraw/zinc/21/63/23/712216323.db2.gz KWFMOLLPUYIEQU-QWRGUYRKSA-N 1 0 224.348 2.472 20 30 BEEDRO COCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000709510036 712223251 /nfs/dbraw/zinc/22/32/51/712223251.db2.gz QRJJECUFNHMSCQ-UHFFFAOYSA-N 1 0 229.323 2.054 20 30 BEEDRO CCN1CCC([NH2+][C@@H](C)CC(C)(C)C#N)CC1 ZINC000709997230 712238818 /nfs/dbraw/zinc/23/88/18/712238818.db2.gz NJHIWIDRKQHZEM-LBPRGKRZSA-N 1 0 237.391 2.389 20 30 BEEDRO CCN1CCC([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000709997229 712238921 /nfs/dbraw/zinc/23/89/21/712238921.db2.gz NJHIWIDRKQHZEM-GFCCVEGCSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CCCO1 ZINC000710007562 712239606 /nfs/dbraw/zinc/23/96/06/712239606.db2.gz CSTTXJNDNZLJAU-YPMHNXCESA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000710016803 712240957 /nfs/dbraw/zinc/24/09/57/712240957.db2.gz LXGAEVLXFNRJEF-QWHCGFSZSA-N 1 0 237.391 2.246 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H]1CCC1(OC)OC ZINC000710968465 712270437 /nfs/dbraw/zinc/27/04/37/712270437.db2.gz DQORMWKZDXUHNF-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711030012 712275352 /nfs/dbraw/zinc/27/53/52/712275352.db2.gz BOCSBXIJMSHESZ-RQJABVFESA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)CC[C@@H]21 ZINC001036685436 712295472 /nfs/dbraw/zinc/29/54/72/712295472.db2.gz XQXWDNCVCHXVQE-KYYFYTAESA-N 1 0 248.370 2.061 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)o1 ZINC000711484953 712306176 /nfs/dbraw/zinc/30/61/76/712306176.db2.gz PQLPHJODCZQCPH-ZDUSSCGKSA-N 1 0 246.310 2.343 20 30 BEEDRO C#CCCCCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711629577 712313712 /nfs/dbraw/zinc/31/37/12/712313712.db2.gz LIPPBXKRXHCQKX-BETUJISGSA-N 1 0 223.385 2.475 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2C=CCC2)cc1 ZINC000711677456 712316034 /nfs/dbraw/zinc/31/60/34/712316034.db2.gz BNQCLZDFQAWJHU-ZFWWWQNUSA-N 1 0 242.322 2.147 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711838223 712332701 /nfs/dbraw/zinc/33/27/01/712332701.db2.gz BMBALSSBGKYDMV-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711848732 712335076 /nfs/dbraw/zinc/33/50/76/712335076.db2.gz VSWPKXAELQSRAS-KGLIPLIRSA-N 1 0 248.370 2.475 20 30 BEEDRO CO[C@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000378735554 712359646 /nfs/dbraw/zinc/35/96/46/712359646.db2.gz GCJSXPMCXXNIBN-OAHLLOKOSA-N 1 0 229.323 2.053 20 30 BEEDRO C=C(Br)C[NH2+]C[C@H](CCC)OC ZINC000378777031 712360677 /nfs/dbraw/zinc/36/06/77/712360677.db2.gz DTSZDVOIZZHZOA-VIFPVBQESA-N 1 0 236.153 2.300 20 30 BEEDRO C[C@H]1CC(N=Nc2ccccc2[N+](=O)[O-])C[N@@H+]1C ZINC000761793574 712410966 /nfs/dbraw/zinc/41/09/66/712410966.db2.gz NXLVIWWGYUDZAH-VIFPVBQESA-N 1 0 248.286 2.087 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2CCC3(CCC3)O2)CC1 ZINC000712382689 712428655 /nfs/dbraw/zinc/42/86/55/712428655.db2.gz DSSJAMZBEUTSTN-ZDUSSCGKSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnn(C)c1Cl ZINC000712436393 712430087 /nfs/dbraw/zinc/43/00/87/712430087.db2.gz SIOLEGNEGMKHRF-UHFFFAOYSA-N 1 0 227.739 2.375 20 30 BEEDRO C[N@@H+]1CCN(c2ccc(C#N)cc2)CCC1(C)C ZINC000712621914 712438452 /nfs/dbraw/zinc/43/84/52/712438452.db2.gz MNIMPLYRVUCRNR-UHFFFAOYSA-N 1 0 243.354 2.479 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCOC(F)(F)F ZINC000713434951 712460375 /nfs/dbraw/zinc/46/03/75/712460375.db2.gz HPELZOPVDFYQAN-QMMMGPOBSA-N 1 0 224.226 2.147 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000714634040 712494572 /nfs/dbraw/zinc/49/45/72/712494572.db2.gz ZUZWVCMNRBOMIJ-AULYBMBSSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000715030330 712504877 /nfs/dbraw/zinc/50/48/77/712504877.db2.gz WYBHRIRFXAXUKF-NEPJUHHUSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715066111 712505084 /nfs/dbraw/zinc/50/50/84/712505084.db2.gz JURMNRMDMBQOJH-NSHDSACASA-N 1 0 227.348 2.330 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715845568 712535401 /nfs/dbraw/zinc/53/54/01/712535401.db2.gz TWQXNUILCLDWDG-SNVBAGLBSA-N 1 0 222.336 2.068 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccns1 ZINC000715919267 712542204 /nfs/dbraw/zinc/54/22/04/712542204.db2.gz HUWFTYIMKXGPAR-VIFPVBQESA-N 1 0 221.329 2.488 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000715919349 712542332 /nfs/dbraw/zinc/54/23/32/712542332.db2.gz FPZJGKWHUSYBPU-GFCCVEGCSA-N 1 0 234.347 2.142 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC000715926503 712543294 /nfs/dbraw/zinc/54/32/94/712543294.db2.gz HOGGHBBXDTWSIX-NSHDSACASA-N 1 0 222.336 2.305 20 30 BEEDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037196121 712552449 /nfs/dbraw/zinc/55/24/49/712552449.db2.gz ZEWIWVSOSTXQAM-NWDGAFQWSA-N 1 0 248.326 2.274 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037184849 712552866 /nfs/dbraw/zinc/55/28/66/712552866.db2.gz LXMKUFNIJOIZSU-NSHDSACASA-N 1 0 202.301 2.036 20 30 BEEDRO COc1ccccc1C[C@H](C)[NH2+]CCC#N ZINC000037240258 712556650 /nfs/dbraw/zinc/55/66/50/712556650.db2.gz SPXVECLXAGCOPC-NSHDSACASA-N 1 0 218.300 2.129 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(C(C)(C)O)CC1 ZINC000716405911 712558826 /nfs/dbraw/zinc/55/88/26/712558826.db2.gz IYXJPLVKSBXQPN-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[C@H](COC)Nc1cc[nH+]c2ccccc12 ZINC000716416732 712559793 /nfs/dbraw/zinc/55/97/93/712559793.db2.gz JHBXECQUTLBMPZ-GFCCVEGCSA-N 1 0 240.306 2.107 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000716634818 712568179 /nfs/dbraw/zinc/56/81/79/712568179.db2.gz CPIFVVBRDLICQZ-PKZYVASSSA-N 1 0 247.367 2.396 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000716829914 712577238 /nfs/dbraw/zinc/57/72/38/712577238.db2.gz SWKZVHSKBURORT-XJFOESAGSA-N 1 0 221.344 2.051 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1F ZINC000716829127 712577394 /nfs/dbraw/zinc/57/73/94/712577394.db2.gz OYPXXLOUMQMELX-ZDUSSCGKSA-N 1 0 235.302 2.262 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]CC#Cc1ccccc1 ZINC000716909945 712581995 /nfs/dbraw/zinc/58/19/95/712581995.db2.gz QLMIRJYPFMYPDM-UKRRQHHQSA-N 1 0 231.339 2.177 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CCCOC)cc1 ZINC000809554043 712584423 /nfs/dbraw/zinc/58/44/23/712584423.db2.gz IVQULAKXBIQBCO-UHFFFAOYSA-N 1 0 217.312 2.136 20 30 BEEDRO Cc1ccc([C@H](C)[N@H+](C)C[C@H](O)CC#N)cc1 ZINC000809572878 712584497 /nfs/dbraw/zinc/58/44/97/712584497.db2.gz VTBKPXMEMUMJCL-GXTWGEPZSA-N 1 0 232.327 2.262 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)c2ccccn2)CC1 ZINC000830343509 712594989 /nfs/dbraw/zinc/59/49/89/712594989.db2.gz XZJGEUQNKLLWOG-LBPRGKRZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000716928780 712596700 /nfs/dbraw/zinc/59/67/00/712596700.db2.gz NQZJFQFYJNVYJD-UPJWGTAASA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000716933506 712597281 /nfs/dbraw/zinc/59/72/81/712597281.db2.gz IPDCLRCHDAYKHG-CYBMUJFWSA-N 1 0 235.302 2.262 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000716942775 712598158 /nfs/dbraw/zinc/59/81/58/712598158.db2.gz CEXKTQWQZLRXIR-WFASDCNBSA-N 1 0 249.329 2.385 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCCCC#N ZINC000379876771 712620046 /nfs/dbraw/zinc/62/00/46/712620046.db2.gz ANGRGBMGNSOXIR-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cccc(N)c2)CC1 ZINC000717472548 712659584 /nfs/dbraw/zinc/65/95/84/712659584.db2.gz NBNHKOFAHNZCAC-UHFFFAOYSA-N 1 0 246.354 2.172 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccccc1C1CC1 ZINC000717741546 712668373 /nfs/dbraw/zinc/66/83/73/712668373.db2.gz WLVXFGVLGMPSHM-AWEZNQCLSA-N 1 0 229.323 2.038 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CC1CCCC1 ZINC000717761112 712673708 /nfs/dbraw/zinc/67/37/08/712673708.db2.gz PBTDHOWVVJRHHK-TZMCWYRMSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CC1CCCC1 ZINC000717761109 712673787 /nfs/dbraw/zinc/67/37/87/712673787.db2.gz PBTDHOWVVJRHHK-JSGCOSHPSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000717762171 712674088 /nfs/dbraw/zinc/67/40/88/712674088.db2.gz ALOOEMXJOKHBDN-GARJFASQSA-N 1 0 249.276 2.081 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1csc2ccccc12 ZINC000717764457 712674295 /nfs/dbraw/zinc/67/42/95/712674295.db2.gz KCYUUFSCIJSKFV-LBPRGKRZSA-N 1 0 245.347 2.375 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000717766560 712674343 /nfs/dbraw/zinc/67/43/43/712674343.db2.gz XVUFOEUDJCBJFZ-BZPMIXESSA-N 1 0 247.338 2.267 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000717762918 712674424 /nfs/dbraw/zinc/67/44/24/712674424.db2.gz DAFOMELKBJRLAU-LBPRGKRZSA-N 1 0 239.265 2.098 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1csc2ccccc12 ZINC000717764455 712674446 /nfs/dbraw/zinc/67/44/46/712674446.db2.gz KCYUUFSCIJSKFV-GFCCVEGCSA-N 1 0 245.347 2.375 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc2ccccc21 ZINC000717777148 712675594 /nfs/dbraw/zinc/67/55/94/712675594.db2.gz RNZJTTQRENVMIG-HNNXBMFYSA-N 1 0 239.318 2.314 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(Cl)cs1 ZINC000717805744 712680235 /nfs/dbraw/zinc/68/02/35/712680235.db2.gz QXLPWLZGPUPRIH-SNVBAGLBSA-N 1 0 243.759 2.265 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000380121384 712688459 /nfs/dbraw/zinc/68/84/59/712688459.db2.gz QOGMVTHENPWFRU-WHXUTIOJSA-N 1 0 210.321 2.224 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000380141579 712699215 /nfs/dbraw/zinc/69/92/15/712699215.db2.gz VSXSNPFRBNEOTD-LLVKDONJSA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000380170392 712705415 /nfs/dbraw/zinc/70/54/15/712705415.db2.gz DLGMESORIVGJTC-SNVBAGLBSA-N 1 0 213.321 2.082 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[C@@H](C#N)C2)C1 ZINC000932154069 712715647 /nfs/dbraw/zinc/71/56/47/712715647.db2.gz DMEOKOOJYXQQIA-KFWWJZLASA-N 1 0 249.402 2.200 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000717911937 712732978 /nfs/dbraw/zinc/73/29/78/712732978.db2.gz ZLGHJNIJCWCEII-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718842159 712785662 /nfs/dbraw/zinc/78/56/62/712785662.db2.gz MSRKMIKHVHMRND-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719643626 712819481 /nfs/dbraw/zinc/81/94/81/712819481.db2.gz RJPSMVAQCGKFLN-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cccc(C#N)c1 ZINC000719649078 712820794 /nfs/dbraw/zinc/82/07/94/712820794.db2.gz SPZQIVWHSUWZSL-SLEUVZQESA-N 1 0 243.354 2.301 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000719703177 712821927 /nfs/dbraw/zinc/82/19/27/712821927.db2.gz UCNZYPQCWUWYSZ-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000719706505 712823093 /nfs/dbraw/zinc/82/30/93/712823093.db2.gz JNWKDLPPBKTGLE-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CCC[NH2+][C@H](CC)c1c(C)noc1C ZINC000380294478 712862254 /nfs/dbraw/zinc/86/22/54/712862254.db2.gz CIHMBLGXWWZMFD-LLVKDONJSA-N 1 0 206.289 2.355 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000720970950 712884459 /nfs/dbraw/zinc/88/44/59/712884459.db2.gz SELWPJMDEPBTTC-HDJSIYSDSA-N 1 0 247.338 2.112 20 30 BEEDRO CO[C@H]1C[C@@H](C[N@H+](CCC#N)CC(C)C)C1 ZINC000721132090 712892128 /nfs/dbraw/zinc/89/21/28/712892128.db2.gz FFGJIRKPGYAZQW-BETUJISGSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCCC[NH+]1CCC(C(C)(C)C(N)=O)CC1 ZINC001209160426 957340121 /nfs/dbraw/zinc/34/01/21/957340121.db2.gz ZDFARLQJENQINQ-UHFFFAOYSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCCCCCCC[N@@H+](C)CC(=O)NC ZINC001209438698 957473065 /nfs/dbraw/zinc/47/30/65/957473065.db2.gz SWLIWTOYUSVBLH-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C(C)(C)C(=C)C ZINC001266798426 958403593 /nfs/dbraw/zinc/40/35/93/958403593.db2.gz QPQOIWHLCIUYDT-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1CCC ZINC001266837508 958482718 /nfs/dbraw/zinc/48/27/18/958482718.db2.gz QPIWLTVWVBCKGR-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H]1CC1(C)C ZINC001125793261 959750019 /nfs/dbraw/zinc/75/00/19/959750019.db2.gz VZKCRAFGHJVKPW-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ncc(Cl)cc1C ZINC001218203915 959890808 /nfs/dbraw/zinc/89/08/08/959890808.db2.gz KDEWWWKBGJIYCG-LLVKDONJSA-N 1 0 238.718 2.340 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(F)c(C)c1 ZINC001218204484 959890871 /nfs/dbraw/zinc/89/08/71/959890871.db2.gz QIKFSPAZTMBBRF-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C ZINC001481066509 960013362 /nfs/dbraw/zinc/01/33/62/960013362.db2.gz FUWLMJWFKLMXQC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(CC)CC)C1 ZINC001267611284 960103852 /nfs/dbraw/zinc/10/38/52/960103852.db2.gz NDRDAEOZICGUCB-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](CC)[NH2+]CCC ZINC001267815635 960395835 /nfs/dbraw/zinc/39/58/35/960395835.db2.gz PYUHNTGFPHDOMD-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1CC ZINC001267819838 960399865 /nfs/dbraw/zinc/39/98/65/960399865.db2.gz JCMABBDBEXNHGQ-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCCCCC(=O)NCCC[N@@H+](C)C(C)C ZINC000692865427 961011598 /nfs/dbraw/zinc/01/15/98/961011598.db2.gz LJGDAVHTMGGUNZ-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001268217900 961435882 /nfs/dbraw/zinc/43/58/82/961435882.db2.gz DZEOZONQNYJFKH-GFCCVEGCSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)/C(C)=C/C ZINC001481800710 961831704 /nfs/dbraw/zinc/83/17/04/961831704.db2.gz KWVQADBDGJPBIX-XEVNVYFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCCC(=O)N[C@](C)(C[NH2+]CC)C1CC1 ZINC001481940321 961877498 /nfs/dbraw/zinc/87/74/98/961877498.db2.gz VYYMBVJGNLZQBY-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]CCCC ZINC001268661053 962253720 /nfs/dbraw/zinc/25/37/20/962253720.db2.gz HEHCQHXXFNGBII-OCCSQVGLSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)CCC)CCCC1 ZINC001270706598 963086074 /nfs/dbraw/zinc/08/60/74/963086074.db2.gz DPXKSNRXNLTKMS-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H]1CC ZINC001087504164 963196972 /nfs/dbraw/zinc/19/69/72/963196972.db2.gz RXTRZNGCMZBTEF-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)CCC ZINC001271239006 963493842 /nfs/dbraw/zinc/49/38/42/963493842.db2.gz UFSLUFFOCZRUAJ-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC ZINC001271459096 963559962 /nfs/dbraw/zinc/55/99/62/963559962.db2.gz QSZPLFGFAAOHTI-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C1CC(C)(C)C1 ZINC001157413956 963602755 /nfs/dbraw/zinc/60/27/55/963602755.db2.gz DNUWBLVDSIUWDW-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CN(C)c1cc[nH+]c(NCC(C)(C)S)c1 ZINC001159266326 964031868 /nfs/dbraw/zinc/03/18/68/964031868.db2.gz FRVJJXVDZSTYIT-UHFFFAOYSA-N 1 0 225.361 2.268 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001482860086 964223849 /nfs/dbraw/zinc/22/38/49/964223849.db2.gz FFFYPOXLNJVDKG-LLVKDONJSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H](C)CC ZINC001482910743 964234495 /nfs/dbraw/zinc/23/44/95/964234495.db2.gz GXWIVVIAKVGWHA-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)CC(C)(C)C ZINC001482909845 964236601 /nfs/dbraw/zinc/23/66/01/964236601.db2.gz DPUNNGBTTXDMFY-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CSC2)cc1 ZINC000697972592 964811272 /nfs/dbraw/zinc/81/12/72/964811272.db2.gz KKONNIPACPFMIV-UHFFFAOYSA-N 1 0 218.325 2.011 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001483495624 965021927 /nfs/dbraw/zinc/02/19/27/965021927.db2.gz FUSLWQRSBFDLFK-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C[NH2+]C[C@](C)(O)C(F)F)c1ccccc1 ZINC000698583206 965338910 /nfs/dbraw/zinc/33/89/10/965338910.db2.gz IMNUFYBIPQHECI-ZDUSSCGKSA-N 1 0 241.281 2.306 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@H](F)CC ZINC001164020215 965694266 /nfs/dbraw/zinc/69/42/66/965694266.db2.gz GQAPUDVCNFGUNU-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]CC(C)C ZINC001164318573 965835274 /nfs/dbraw/zinc/83/52/74/965835274.db2.gz XXPLJCRKCGIXJV-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C[C@@H]1C[C@@H]1C ZINC001165894623 966187852 /nfs/dbraw/zinc/18/78/52/966187852.db2.gz FYQJCCIJQVSYIY-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001166045839 966236746 /nfs/dbraw/zinc/23/67/46/966236746.db2.gz DIUCRVIHOPOCDF-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CC(C)(F)F ZINC001166036618 966233714 /nfs/dbraw/zinc/23/37/14/966233714.db2.gz QLSBGZZJXSXIQB-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)/C(C)=C/CC ZINC001716472417 1165759603 /nfs/dbraw/zinc/75/96/03/1165759603.db2.gz HUJYATTVBULLTA-SRXBQZRASA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C=C1CCC1 ZINC001485135533 966547207 /nfs/dbraw/zinc/54/72/07/966547207.db2.gz KBRUFHKTKKQLAF-RYUDHWBXSA-N 1 0 236.359 2.156 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)C1CCOCC1 ZINC001208920417 1165776139 /nfs/dbraw/zinc/77/61/39/1165776139.db2.gz HHOJYMYCGHYDDI-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)C=C ZINC001485338758 966590958 /nfs/dbraw/zinc/59/09/58/966590958.db2.gz PXYALKRJDJGQRQ-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)/C(C)=C\C ZINC001272712780 966690861 /nfs/dbraw/zinc/69/08/61/966690861.db2.gz RBXCRFNHEQRWIL-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001209208357 1165790531 /nfs/dbraw/zinc/79/05/31/1165790531.db2.gz RTMWARGHWIUROM-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)C1(C)CCC1 ZINC001690970099 1165795037 /nfs/dbraw/zinc/79/50/37/1165795037.db2.gz XWKKQFWLPQLIDE-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCCC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001772512834 1165807282 /nfs/dbraw/zinc/80/72/82/1165807282.db2.gz DWNOXWUOHUHZGZ-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCn1cc(CC[NH+]2CCCCC2)cn1 ZINC001250240366 967548467 /nfs/dbraw/zinc/54/84/67/967548467.db2.gz IVKLXGPLTKEADU-UHFFFAOYSA-N 1 0 219.332 2.098 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000082497095 1165920414 /nfs/dbraw/zinc/92/04/14/1165920414.db2.gz KQFLSTRAVLUEKL-LLVKDONJSA-N 1 0 205.276 2.370 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccoc1 ZINC001671266933 1165970042 /nfs/dbraw/zinc/97/00/42/1165970042.db2.gz YODWLPTVCYKYDM-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)CO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001206751130 968455050 /nfs/dbraw/zinc/45/50/50/968455050.db2.gz VITPTQDLWSAIKT-CLLJXQQHSA-N 1 0 209.333 2.309 20 30 BEEDRO N#Cc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000227610029 1166027037 /nfs/dbraw/zinc/02/70/37/1166027037.db2.gz JMNJRUBQOIETPK-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO C#CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000306494674 1166030679 /nfs/dbraw/zinc/03/06/79/1166030679.db2.gz PMCJNGMPUGVDRG-SECBINFHSA-N 1 0 201.260 2.423 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC001252115385 968603792 /nfs/dbraw/zinc/60/37/92/968603792.db2.gz IPNQQDTVXABXKF-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO N#CCc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000399068895 1166037928 /nfs/dbraw/zinc/03/79/28/1166037928.db2.gz CUWUOJDJFKRLQD-UHFFFAOYSA-N 1 0 237.306 2.437 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](CC)C(CC)CC ZINC001252471356 968730064 /nfs/dbraw/zinc/73/00/64/968730064.db2.gz WSQJGPMOFXBAIK-CYBMUJFWSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](C)CC1CCCCC1 ZINC001252470739 968731242 /nfs/dbraw/zinc/73/12/42/968731242.db2.gz OLYFARFHRYXZRC-AWEZNQCLSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C(C)(C)CC1CCC1 ZINC001252495116 968748888 /nfs/dbraw/zinc/74/88/88/968748888.db2.gz JUCHOEAKOUTVMV-ZDUSSCGKSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C(C)(C)CC1CCC1 ZINC001252495115 968749684 /nfs/dbraw/zinc/74/96/84/968749684.db2.gz JUCHOEAKOUTVMV-CYBMUJFWSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)CCCC ZINC001691062309 1166110260 /nfs/dbraw/zinc/11/02/60/1166110260.db2.gz QAWCSZJMVYNRDN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)/C=C(\C)CC ZINC001691076370 1166121319 /nfs/dbraw/zinc/12/13/19/1166121319.db2.gz KYTLLQMYTMRBSA-XSNHNAGMSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CCC[N@H+]1CC(=C)C ZINC001691068663 1166119120 /nfs/dbraw/zinc/11/91/20/1166119120.db2.gz CWFUFBLYLDWJKU-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)/C=C(/C)CC ZINC001691076369 1166120892 /nfs/dbraw/zinc/12/08/92/1166120892.db2.gz KYTLLQMYTMRBSA-UKVQZPPCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1cccc(C)c1 ZINC001252555591 968795351 /nfs/dbraw/zinc/79/53/51/968795351.db2.gz YHKSXWDCBHUUGH-OAHLLOKOSA-N 1 0 233.355 2.406 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1cccs1 ZINC001252567637 968818024 /nfs/dbraw/zinc/81/80/24/968818024.db2.gz BPWZEEWQAFIOLJ-GXSJLCMTSA-N 1 0 211.330 2.336 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001252560611 968807287 /nfs/dbraw/zinc/80/72/87/968807287.db2.gz UWVCWJVUDIAPLB-KBPBESRZSA-N 1 0 217.312 2.370 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207614970 968833246 /nfs/dbraw/zinc/83/32/46/968833246.db2.gz BGLMYAIBCMFAFO-MJBXVCDLSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001691098136 1166131772 /nfs/dbraw/zinc/13/17/72/1166131772.db2.gz ZTLWCVITWVMJBW-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC(=O)NCC1([NH2+]CC(C)C)CCC1 ZINC001700127223 1166137867 /nfs/dbraw/zinc/13/78/67/1166137867.db2.gz ABLRBKDNQRHTSM-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCOC(C)(C)C ZINC001252621737 968859136 /nfs/dbraw/zinc/85/91/36/968859136.db2.gz GZEZBILLQLKEQY-LBPRGKRZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001252615595 968873464 /nfs/dbraw/zinc/87/34/64/968873464.db2.gz AOBGOHZJGPMWJR-UMSGYPCISA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@H](O)CNC(=[NH2+])c1cccc(C)c1 ZINC001252621225 968883157 /nfs/dbraw/zinc/88/31/57/968883157.db2.gz ZKDIXFGMVDDUJR-ZDUSSCGKSA-N 1 0 232.327 2.237 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)C1CCC1 ZINC001691173454 1166154797 /nfs/dbraw/zinc/15/47/97/1166154797.db2.gz FTQHOKBKGZHDRQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@@H](O)CCC ZINC001252784404 968963053 /nfs/dbraw/zinc/96/30/53/968963053.db2.gz ZEIJRAIQVOHABK-LBPRGKRZSA-N 1 0 212.337 2.163 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)C1CC(C)C1 ZINC001691287722 1166187577 /nfs/dbraw/zinc/18/75/77/1166187577.db2.gz IAZRBVYLQCLOSA-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000399783959 1166254012 /nfs/dbraw/zinc/25/40/12/1166254012.db2.gz WLDGWNCLWAOKOZ-BXUZGUMPSA-N 1 0 244.338 2.226 20 30 BEEDRO CSCC[C@H](C)[NH2+]CCCCC#N ZINC000228916106 1166266751 /nfs/dbraw/zinc/26/67/51/1166266751.db2.gz JPHOOTMEEGDYMN-JTQLQIEISA-N 1 0 200.351 2.411 20 30 BEEDRO CCCCC[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC001253547515 969222196 /nfs/dbraw/zinc/22/21/96/969222196.db2.gz NKLPIHUEGNJYAI-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001253584428 969263960 /nfs/dbraw/zinc/26/39/60/969263960.db2.gz MVRUBUFGCGRITA-CYBMUJFWSA-N 1 0 237.730 2.245 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC001253598543 969290829 /nfs/dbraw/zinc/29/08/29/969290829.db2.gz VLBQMVPPGRWIGA-ZETCQYMHSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001253598499 969291956 /nfs/dbraw/zinc/29/19/56/969291956.db2.gz UYWDWDZOZINOND-VIFPVBQESA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001253599772 969294501 /nfs/dbraw/zinc/29/45/01/969294501.db2.gz TURXSOKEYHSTDZ-NSHDSACASA-N 1 0 227.254 2.261 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001253603345 969298720 /nfs/dbraw/zinc/29/87/20/969298720.db2.gz VTOHGKAMCFTUBV-QMMMGPOBSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1ccccc1C ZINC001253607270 969305003 /nfs/dbraw/zinc/30/50/03/969305003.db2.gz TZNDAAXFGPTNOA-AWEZNQCLSA-N 1 0 233.355 2.453 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC001253609614 969310557 /nfs/dbraw/zinc/31/05/57/969310557.db2.gz WNCZMXJDSDRBSQ-GXTWGEPZSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CC[C@@H](C)CC ZINC001168963729 969315418 /nfs/dbraw/zinc/31/54/18/969315418.db2.gz XJHLDFKSDBLYDP-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001267214734 1166324981 /nfs/dbraw/zinc/32/49/81/1166324981.db2.gz BNSZPMGNNQFTKJ-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299900590 1166329583 /nfs/dbraw/zinc/32/95/83/1166329583.db2.gz XLEQQBCIWWTEPB-XHDPSFHLSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC[C@H](C)CC ZINC001168975329 969323482 /nfs/dbraw/zinc/32/34/82/969323482.db2.gz VNMZIVKQSRIIQI-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[N@H+](C)CC1CC1 ZINC001698990090 1166340686 /nfs/dbraw/zinc/34/06/86/1166340686.db2.gz VQNDSYHUQUTUCR-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnn(C)n1 ZINC000382281771 1166350057 /nfs/dbraw/zinc/35/00/57/1166350057.db2.gz JEHCQBHPCADEHQ-NSHDSACASA-N 1 0 222.336 2.040 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)CC(C)(C)C ZINC001167663928 1166351832 /nfs/dbraw/zinc/35/18/32/1166351832.db2.gz HVKNDTBSVVNBBP-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001209157835 969360341 /nfs/dbraw/zinc/36/03/41/969360341.db2.gz IHYBTTXVSLECKH-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[NH+]1CCC(C)(C(=O)OC)CC1 ZINC001209160115 969361416 /nfs/dbraw/zinc/36/14/16/969361416.db2.gz GEWNXTINPBRBNG-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@]2(CCC(=O)O2)C1 ZINC001209163755 969365445 /nfs/dbraw/zinc/36/54/45/969365445.db2.gz KHVPVSSWUGNUSO-ZDUSSCGKSA-N 1 0 223.316 2.124 20 30 BEEDRO C=CC[NH+](CC=C)CC1COC(C)(C)OC1 ZINC001209199932 969384562 /nfs/dbraw/zinc/38/45/62/969384562.db2.gz WGUDUFQRYKFLCG-UHFFFAOYSA-N 1 0 225.332 2.060 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001209201591 969388716 /nfs/dbraw/zinc/38/87/16/969388716.db2.gz OMGYEMIXCAARCF-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C(C)(CO)CO ZINC000129015892 1166380442 /nfs/dbraw/zinc/38/04/42/1166380442.db2.gz BICCSKHJJDFRKS-LBPRGKRZSA-N 1 0 231.380 2.068 20 30 BEEDRO C#CCCC[N@@H+](CCC)C1CCOCC1 ZINC001209269191 969419588 /nfs/dbraw/zinc/41/95/88/969419588.db2.gz GIAUPOFPMCGHET-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCCCC[NH+]1CCC(C)(C(N)=O)CC1 ZINC001209427386 969495401 /nfs/dbraw/zinc/49/54/01/969495401.db2.gz PDHWBVIVWQDPKH-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@](C)(CC)CCC ZINC001169336784 969603424 /nfs/dbraw/zinc/60/34/24/969603424.db2.gz LVMGRIXEVSGIHU-CQSZACIVSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](CC)CCC ZINC001169434368 969646226 /nfs/dbraw/zinc/64/62/26/969646226.db2.gz KGYMCKSQRZTNAC-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CCC(=O)OCC ZINC000309042722 1166471483 /nfs/dbraw/zinc/47/14/83/1166471483.db2.gz MEDISXYEPXRKHE-NSHDSACASA-N 1 0 213.321 2.274 20 30 BEEDRO C[N@@H+]1CCC[C@H](NC2(CC#N)CCCC2)CC1 ZINC001254514233 969685592 /nfs/dbraw/zinc/68/55/92/969685592.db2.gz JRJAFWHBHSGAKI-ZDUSSCGKSA-N 1 0 235.375 2.287 20 30 BEEDRO C[N@H+](Cc1ccncc1)[C@H]1CC[C@H](C#N)C1 ZINC001254659562 969768533 /nfs/dbraw/zinc/76/85/33/969768533.db2.gz AXQNEWRYMLRQST-STQMWFEESA-N 1 0 215.300 2.206 20 30 BEEDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254661145 969769787 /nfs/dbraw/zinc/76/97/87/969769787.db2.gz PNQDVSVCCXAVTB-YFKTTZPYSA-N 1 0 210.296 2.359 20 30 BEEDRO C[C@@H]1CC(C[N@@H+]2CCC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000724868830 1166536449 /nfs/dbraw/zinc/53/64/49/1166536449.db2.gz TWMBWSIFRGBCTL-UPJWGTAASA-N 1 0 236.359 2.426 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001691486457 1166548534 /nfs/dbraw/zinc/54/85/34/1166548534.db2.gz HYNIPYBQKWGMBU-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169981618 969933474 /nfs/dbraw/zinc/93/34/74/969933474.db2.gz YFYDDWICAPTECN-SNVBAGLBSA-N 1 0 224.348 2.009 20 30 BEEDRO CC[C@@H](CC#N)N(C(C)C)C(C)(C)C[NH3+] ZINC001255163068 969973224 /nfs/dbraw/zinc/97/32/24/969973224.db2.gz BKHHEGHYQRSBNG-NSHDSACASA-N 1 0 211.353 2.126 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccncc1 ZINC000181600555 1166571615 /nfs/dbraw/zinc/57/16/15/1166571615.db2.gz ULPBYOTUDNSCBU-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCOCc1cccc(NCC[NH2+]C)c1 ZINC001167725508 1166627840 /nfs/dbraw/zinc/62/78/40/1166627840.db2.gz BGWJUYHCZRWJAH-UHFFFAOYSA-N 1 0 220.316 2.021 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)CCCO ZINC000695787300 1166684505 /nfs/dbraw/zinc/68/45/05/1166684505.db2.gz LQDWYTBMFBMHLL-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc(C#N)nc1 ZINC001255645082 970421218 /nfs/dbraw/zinc/42/12/18/970421218.db2.gz ZYWDGOFYSONDOO-QMMMGPOBSA-N 1 0 243.232 2.384 20 30 BEEDRO C#CCOCC[N@H+](C)CCCCOC(C)(C)C ZINC001255650026 970426032 /nfs/dbraw/zinc/42/60/32/970426032.db2.gz VXNDWQAVZBJVCY-UHFFFAOYSA-N 1 0 241.375 2.163 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000686680419 1166745714 /nfs/dbraw/zinc/74/57/14/1166745714.db2.gz RELXPSJUHQBYAC-HNNXBMFYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)CC)c1ccccc1 ZINC001481359112 1166752764 /nfs/dbraw/zinc/75/27/64/1166752764.db2.gz FKUPLCZQFIYKRY-ZDUSSCGKSA-N 1 0 232.327 2.030 20 30 BEEDRO N#Cc1ccccc1OCC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC001167914230 1166813691 /nfs/dbraw/zinc/81/36/91/1166813691.db2.gz UHIQKKJLLFKOQC-BTTYYORXSA-N 1 0 242.322 2.325 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N[C@](C)(C#N)CC ZINC001255946832 970582320 /nfs/dbraw/zinc/58/23/20/970582320.db2.gz JNFSJBZAGCQGIZ-OLZOCXBDSA-N 1 0 225.380 2.389 20 30 BEEDRO CC[C@@H](CC#N)N[C@@H](C)CC[NH+](CC)CC ZINC001255946528 970582357 /nfs/dbraw/zinc/58/23/57/970582357.db2.gz AQLUZZFJYMRFNF-STQMWFEESA-N 1 0 225.380 2.389 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C1(CCC)CC1 ZINC001716040147 1166823247 /nfs/dbraw/zinc/82/32/47/1166823247.db2.gz LYECUCAGOMRRTG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)/C=C(\C)CC ZINC001716023774 1166823524 /nfs/dbraw/zinc/82/35/24/1166823524.db2.gz MOOCJPATERIUNX-YQCJOKCJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)/C=C(\C)CC ZINC001716023769 1166822268 /nfs/dbraw/zinc/82/22/68/1166822268.db2.gz MOOCJPATERIUNX-RPHSKFLZSA-N 1 0 238.375 2.355 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CCO1 ZINC001170204010 970605763 /nfs/dbraw/zinc/60/57/63/970605763.db2.gz NWTUZCPTWXTPAM-QWHCGFSZSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](c1ccncc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000310254149 1166873545 /nfs/dbraw/zinc/87/35/45/1166873545.db2.gz ZIENSQYYSRCFAA-NWDGAFQWSA-N 1 0 233.315 2.003 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(CCC)CC1 ZINC001282183045 1166883364 /nfs/dbraw/zinc/88/33/64/1166883364.db2.gz FKZQJXSLVQWDBZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167898222 1166898308 /nfs/dbraw/zinc/89/83/08/1166898308.db2.gz PWHLUUCPJYPWPS-QDMKHBRRSA-N 1 0 226.323 2.489 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CC[C@H]1CCOC1 ZINC000401022022 970656057 /nfs/dbraw/zinc/65/60/57/970656057.db2.gz YFXPEJFRHVXALX-ZDUSSCGKSA-N 1 0 224.348 2.285 20 30 BEEDRO C=C1CC=C(F)C=C1NC1CC[NH+](C)CC1 ZINC001256198967 970698410 /nfs/dbraw/zinc/69/84/10/970698410.db2.gz ZUNUDYOILNPLNW-UHFFFAOYSA-N 1 0 222.307 2.367 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)/C(C)=C/C ZINC001716391061 1166924696 /nfs/dbraw/zinc/92/46/96/1166924696.db2.gz UFVANWJFOJJXPD-PGJRDNSLSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[NH2+]C[C@H](F)CC ZINC001752876891 1166947839 /nfs/dbraw/zinc/94/78/39/1166947839.db2.gz IPDZFZQRLVLHDJ-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCC(=O)N(C)CC[NH2+]C[C@@H](C)CC ZINC001493495013 1166951629 /nfs/dbraw/zinc/95/16/29/1166951629.db2.gz LGUSRIJDGZUEDW-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C#CC[NH+](CC#C)C1CCC(OCCC)CC1 ZINC001173101020 975023519 /nfs/dbraw/zinc/02/35/19/975023519.db2.gz DXJPBUMGJXBGDO-UHFFFAOYSA-N 1 0 233.355 2.293 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]CC(=C)C ZINC001268687758 1166980091 /nfs/dbraw/zinc/98/00/91/1166980091.db2.gz FGCVCQTYFXHESF-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173126761 975033980 /nfs/dbraw/zinc/03/39/80/975033980.db2.gz QYMDFOQVIFGFNC-NSHDSACASA-N 1 0 234.368 2.394 20 30 BEEDRO C=C1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC)CC1 ZINC001268745092 1166984749 /nfs/dbraw/zinc/98/47/49/1166984749.db2.gz GMLWCIGHCFUVOY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000398029689 1167039273 /nfs/dbraw/zinc/03/92/73/1167039273.db2.gz JBXRVEICNOAIHY-NSHDSACASA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC000712785010 1167064595 /nfs/dbraw/zinc/06/45/95/1167064595.db2.gz QAPUOIVMYYTDAB-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC001173327817 975275929 /nfs/dbraw/zinc/27/59/29/975275929.db2.gz JBIIKNVZKNRYQO-CPCZMJQVSA-N 1 0 222.332 2.085 20 30 BEEDRO COC[C@H]1CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173339089 975283588 /nfs/dbraw/zinc/28/35/88/975283588.db2.gz CLYCTSFYBQYJMY-WXRRBKDZSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cnoc2)CC1 ZINC001173315740 975302387 /nfs/dbraw/zinc/30/23/87/975302387.db2.gz RHRBRDDZPWIFNU-UHFFFAOYSA-N 1 0 236.315 2.278 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CCCC ZINC001270896796 1167154309 /nfs/dbraw/zinc/15/43/09/1167154309.db2.gz WFASRIHWBGOULC-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CCCC ZINC001270894618 1167155491 /nfs/dbraw/zinc/15/54/91/1167155491.db2.gz DYOJOCVZTTWGQV-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+]CCCCC#N ZINC001173439062 975375053 /nfs/dbraw/zinc/37/50/53/975375053.db2.gz DKAPNLGMNMFYPO-GFCCVEGCSA-N 1 0 240.347 2.392 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCCC2CC2)C1 ZINC001333402351 975751991 /nfs/dbraw/zinc/75/19/91/975751991.db2.gz RVPRFYYJHCWRSH-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccn1C1CC1 ZINC001333556669 975849275 /nfs/dbraw/zinc/84/92/75/975849275.db2.gz HFLKPHCFYNRTQR-NSHDSACASA-N 1 0 220.316 2.114 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)CCCC ZINC001126562501 1167280429 /nfs/dbraw/zinc/28/04/29/1167280429.db2.gz XKGAYSJDUTXFEU-JTQLQIEISA-N 1 0 246.782 2.271 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH+]1CCCC1 ZINC001334108448 976311925 /nfs/dbraw/zinc/31/19/25/976311925.db2.gz LCDGXMWEKGACIJ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1csc(C(C)C)n1 ZINC000309502256 1167322469 /nfs/dbraw/zinc/32/24/69/1167322469.db2.gz BECNBMFZPWMBPG-SNVBAGLBSA-N 1 0 240.372 2.293 20 30 BEEDRO C=C(C)C(=O)OCCNc1[nH+]c(C)ccc1C ZINC001168070024 1167345463 /nfs/dbraw/zinc/34/54/63/1167345463.db2.gz FFFJTUHDOJPOFX-UHFFFAOYSA-N 1 0 234.299 2.230 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001335441232 977053995 /nfs/dbraw/zinc/05/39/95/977053995.db2.gz NPBDAWJMWXVLPK-ZFWWWQNUSA-N 1 0 231.339 2.035 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230551343 977245420 /nfs/dbraw/zinc/24/54/20/977245420.db2.gz DDTDEIRSCYBNOX-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)C(=O)c1ccc(O)cc1 ZINC001335829807 977310509 /nfs/dbraw/zinc/31/05/09/977310509.db2.gz HEKZHBFUZLZNJG-NSHDSACASA-N 1 0 233.311 2.329 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795633 977339294 /nfs/dbraw/zinc/33/92/94/977339294.db2.gz QSNJJMIDQPQVQJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC000721613564 977569194 /nfs/dbraw/zinc/56/91/94/977569194.db2.gz CEXCHKGZMNDPSC-GWCFXTLKSA-N 1 0 215.300 2.231 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000381234402 1167536717 /nfs/dbraw/zinc/53/67/17/1167536717.db2.gz LOSLCOQAJVIYBU-AVGNSLFASA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCOc1cccc(CN(C)C2COC2)c1 ZINC001231623546 977652873 /nfs/dbraw/zinc/65/28/73/977652873.db2.gz JQFZCZJSNLEZSF-UHFFFAOYSA-N 1 0 233.311 2.082 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001336450121 977692158 /nfs/dbraw/zinc/69/21/58/977692158.db2.gz MYKYZKBLOMHICS-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)/C(C)=C/C ZINC001752867948 1167586831 /nfs/dbraw/zinc/58/68/31/1167586831.db2.gz LGCDSHYIIRWYPD-XBJLJFKASA-N 1 0 238.375 2.402 20 30 BEEDRO C[C@@H](C#N)C[NH2+]CCc1ccc(F)cc1F ZINC000381468578 1167636354 /nfs/dbraw/zinc/63/63/54/1167636354.db2.gz LVDWJQZWYRGLPA-VIFPVBQESA-N 1 0 224.254 2.257 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC(=C)C)[C@H]1C ZINC001700811344 1167647241 /nfs/dbraw/zinc/64/72/41/1167647241.db2.gz IAQCZFJVVZQOEA-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CC(=C)C)[C@@H]1C ZINC001700811345 1167647297 /nfs/dbraw/zinc/64/72/97/1167647297.db2.gz IAQCZFJVVZQOEA-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCN(C)C1 ZINC000167325490 1167651334 /nfs/dbraw/zinc/65/13/34/1167651334.db2.gz RZYNGWCJKDFBGT-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000696104798 1167653929 /nfs/dbraw/zinc/65/39/29/1167653929.db2.gz MXZAYZMNUNYPOH-JKSUJKDBSA-N 1 0 248.414 2.500 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001337120213 978175447 /nfs/dbraw/zinc/17/54/47/978175447.db2.gz CYETVOGQNQLRKA-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)s1 ZINC001232842151 978308921 /nfs/dbraw/zinc/30/89/21/978308921.db2.gz KWOCWLYQECEAHK-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000699438516 1167770062 /nfs/dbraw/zinc/77/00/62/1167770062.db2.gz NGXRTIFBQJMGBF-KBPBESRZSA-N 1 0 230.311 2.073 20 30 BEEDRO C=C(C)COc1ccccc1C[N@H+](C)CCO ZINC001236253106 1167822178 /nfs/dbraw/zinc/82/21/78/1167822178.db2.gz FQDSSJNCEOWYOG-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128148 978780584 /nfs/dbraw/zinc/78/05/84/978780584.db2.gz ATDMIBGQIWSZPC-UKVQZPPCSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H](C)CC ZINC001234126893 978782244 /nfs/dbraw/zinc/78/22/44/978782244.db2.gz QERGQXLHXXRPGJ-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[NH2+]CC1CCN(C(=O)CCC)CC1 ZINC001204287344 978988377 /nfs/dbraw/zinc/98/83/77/978988377.db2.gz PORWFECHQGBXJK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC=C)C1 ZINC001181535396 979146292 /nfs/dbraw/zinc/14/62/92/979146292.db2.gz UJSZBMMSSHMUTG-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC1CCC=CCC1 ZINC001340983811 979185338 /nfs/dbraw/zinc/18/53/38/979185338.db2.gz RMLQWIFHCHBCMT-ZDUSSCGKSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CCCCCCCCN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236282186 979481279 /nfs/dbraw/zinc/48/12/79/979481279.db2.gz JDXNAKKTJRNYSG-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]1C[NH2+]CCCC ZINC001671275824 1168335353 /nfs/dbraw/zinc/33/53/53/1168335353.db2.gz PYAPULNZWKENIC-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[N@H+](C)CC1CC1 ZINC001734043139 1168349386 /nfs/dbraw/zinc/34/93/86/1168349386.db2.gz HLLQTUHEHGVAMP-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001183651234 979860496 /nfs/dbraw/zinc/86/04/96/979860496.db2.gz ZEEITVOWRBPWTE-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](C)n1ccnc1 ZINC001342692642 979867946 /nfs/dbraw/zinc/86/79/46/979867946.db2.gz PDNZDBHLWQNTQI-GFCCVEGCSA-N 1 0 235.331 2.259 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC(F)F)c(F)c1 ZINC001237357542 979875502 /nfs/dbraw/zinc/87/55/02/979875502.db2.gz XNKZKAHMYHFVRH-UHFFFAOYSA-N 1 0 243.228 2.492 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[NH2+]CC)[C@H](C)C1 ZINC001184077177 979939298 /nfs/dbraw/zinc/93/92/98/979939298.db2.gz HCAHBEOWOXWNAW-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000085356757 1168389228 /nfs/dbraw/zinc/38/92/28/1168389228.db2.gz HNBDDXCKSDMZJH-QWHCGFSZSA-N 1 0 243.310 2.014 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2CCSC2)CC1 ZINC000405296277 1168389459 /nfs/dbraw/zinc/38/94/59/1168389459.db2.gz GWLTYYANLVWBFU-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001185280279 980206314 /nfs/dbraw/zinc/20/63/14/980206314.db2.gz JOHDZJWWTICTER-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]CC1(C#N)CCCC1 ZINC000405120421 1168463047 /nfs/dbraw/zinc/46/30/47/1168463047.db2.gz AOTJJEIADABFPL-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001239326724 980534814 /nfs/dbraw/zinc/53/48/14/980534814.db2.gz MFILCMZRUAXEMQ-MNOVXSKESA-N 1 0 246.326 2.074 20 30 BEEDRO CCCCCCCOC(=O)N1CC[NH2+][C@@H]2C[C@@H]21 ZINC001239331626 980539866 /nfs/dbraw/zinc/53/98/66/980539866.db2.gz NNTFOUISYGHNMD-NEPJUHHUSA-N 1 0 240.347 2.140 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000766949220 1168502309 /nfs/dbraw/zinc/50/23/09/1168502309.db2.gz FJFMTYCOLXYDEJ-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO CC[NH+](CC)C1CCN(CCCC#N)CC1 ZINC000076717858 980777426 /nfs/dbraw/zinc/77/74/26/980777426.db2.gz TVANEVBXZNQWGJ-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC001346359877 980819322 /nfs/dbraw/zinc/81/93/22/980819322.db2.gz JQCSJNJCFVKQTL-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCO[NH+]=C(C)c1ccccc1N(C)C ZINC000812234257 1168568085 /nfs/dbraw/zinc/56/80/85/1168568085.db2.gz CNGGEFIYYKNKRU-UHFFFAOYSA-N 1 0 216.284 2.126 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CC[C@H](C)CC ZINC001135612116 1168604543 /nfs/dbraw/zinc/60/45/43/1168604543.db2.gz PRPIGZDGUFQMAN-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO N#CCc1cccc(NC[C@H]2CCCC[NH2+]2)c1F ZINC001171335581 1168664122 /nfs/dbraw/zinc/66/41/22/1168664122.db2.gz YSMMNNAGOYFMMP-GFCCVEGCSA-N 1 0 247.317 2.446 20 30 BEEDRO CC(=O)C[N@@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172314069 1168679049 /nfs/dbraw/zinc/67/90/49/1168679049.db2.gz HRZNRPXJCXLBFR-LLVKDONJSA-N 1 0 230.311 2.010 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2cncnc2)CC1 ZINC001173328381 1168685732 /nfs/dbraw/zinc/68/57/32/1168685732.db2.gz ZDASBHWEXQYORE-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2cnoc2)CC1 ZINC001173328195 1168686326 /nfs/dbraw/zinc/68/63/26/1168686326.db2.gz RBDUFRGQKDZRLM-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO C[C@@]1([NH2+]C2CCC(CC#N)CC2)CCOC1 ZINC001173334412 1168688082 /nfs/dbraw/zinc/68/80/82/1168688082.db2.gz WCJSZHJEZFXPIR-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC1CCC([NH+]2CCC(CO)CC2)CC1 ZINC001173336192 1168688116 /nfs/dbraw/zinc/68/81/16/1168688116.db2.gz RAEGVGSDYOXNGC-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173333443 1168689244 /nfs/dbraw/zinc/68/92/44/1168689244.db2.gz IMVIVEXCQRBAOZ-IFWUJCSASA-N 1 0 236.359 2.208 20 30 BEEDRO CN1CC2(C1)CC[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173337118 1168688820 /nfs/dbraw/zinc/68/88/20/1168688820.db2.gz ZYUAPQZSOJSDMI-UHFFFAOYSA-N 1 0 247.386 2.096 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@H](C)C1CC1 ZINC001177053076 1168708864 /nfs/dbraw/zinc/70/88/64/1168708864.db2.gz CGEZVTMDQSHQLE-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@H]1CC([NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000338942405 1168711269 /nfs/dbraw/zinc/71/12/69/1168711269.db2.gz RLVYLNNFGIMWSW-QWRGUYRKSA-N 1 0 222.332 2.178 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001585520424 981936914 /nfs/dbraw/zinc/93/69/14/981936914.db2.gz OFAPWPBKOPNXRT-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC001350965224 982138403 /nfs/dbraw/zinc/13/84/03/982138403.db2.gz NOGXSMHFAKLPKK-LOWDOPEQSA-N 1 0 207.317 2.132 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([N@H+](C)CC=C)C1 ZINC001192059957 1168787425 /nfs/dbraw/zinc/78/74/25/1168787425.db2.gz LBOSUULSRIBPPD-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)C ZINC001151987104 1168788026 /nfs/dbraw/zinc/78/80/26/1168788026.db2.gz PSOVZXLTJFTNBW-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882758 1168819180 /nfs/dbraw/zinc/81/91/80/1168819180.db2.gz UONVJSDIYCCFNF-LLVKDONJSA-N 1 0 246.310 2.223 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCc2c(C)cccc2C1 ZINC001252542067 1168875908 /nfs/dbraw/zinc/87/59/08/1168875908.db2.gz ZJERECJEQPBOCA-HNNXBMFYSA-N 1 0 231.339 2.290 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)CCOCC ZINC001198414266 982702691 /nfs/dbraw/zinc/70/26/91/982702691.db2.gz KDEAIFWHWZSVBZ-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)c(F)c1 ZINC001252572757 1168888839 /nfs/dbraw/zinc/88/88/39/1168888839.db2.gz UONJSFCUWMLDCG-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCOc1ccccc1C ZINC001252573043 1168887979 /nfs/dbraw/zinc/88/79/79/1168887979.db2.gz XRLWQBAFEUBTMY-OAHLLOKOSA-N 1 0 249.354 2.291 20 30 BEEDRO CC1C[NH+](Cc2ccc(OCC#N)cc2)C1 ZINC001137114276 1168922589 /nfs/dbraw/zinc/92/25/89/1168922589.db2.gz DCQGASXZWJFGNW-UHFFFAOYSA-N 1 0 216.284 2.041 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC001199002532 982880843 /nfs/dbraw/zinc/88/08/43/982880843.db2.gz WADXJAIKELJPMC-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000886365425 1168980763 /nfs/dbraw/zinc/98/07/63/1168980763.db2.gz HXHBUOQFDMTGJX-STQMWFEESA-N 1 0 221.344 2.147 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000717700037 1168991299 /nfs/dbraw/zinc/99/12/99/1168991299.db2.gz UOGTWKYGQZLAGZ-ZIAGYGMSSA-N 1 0 235.371 2.463 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H](C)C(C)C ZINC001274414019 1169029324 /nfs/dbraw/zinc/02/93/24/1169029324.db2.gz QJKNTGSECBNGBF-KTRBRXNASA-N 1 0 238.375 2.117 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000717847492 1169032234 /nfs/dbraw/zinc/03/22/34/1169032234.db2.gz GXBYSRRWIMGDKI-CQSZACIVSA-N 1 0 242.322 2.032 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](O)[C@@](C)(CO)C1 ZINC001201761879 983463292 /nfs/dbraw/zinc/46/32/92/983463292.db2.gz UCYVYOYVBRFPNX-UONOGXRCSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCC[N@H+]1CCc2nncn2CC1 ZINC001201761530 983463982 /nfs/dbraw/zinc/46/39/82/983463982.db2.gz IDWWVVNHQOLOHF-UHFFFAOYSA-N 1 0 236.363 2.107 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000686676578 1169108867 /nfs/dbraw/zinc/10/88/67/1169108867.db2.gz XZUWBYHHEKLAEK-KGLIPLIRSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000686681446 1169110854 /nfs/dbraw/zinc/11/08/54/1169110854.db2.gz RDGUHKYUNPGTAU-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1CC ZINC001488667241 983687395 /nfs/dbraw/zinc/68/73/95/983687395.db2.gz NDYCUOKPZGBVNS-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)NC[C@H]1C[C@H]([NH2+]CCCC)C1 ZINC001488815788 983694949 /nfs/dbraw/zinc/69/49/49/983694949.db2.gz BOIKEXPVPUUQTN-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]CCCCCCN(C)C(C)=O ZINC001489098673 983703350 /nfs/dbraw/zinc/70/33/50/983703350.db2.gz OMAADVOZTZMANS-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCC[NH2+]C1CC(CNC(=O)CCC)C1 ZINC001489375295 983709014 /nfs/dbraw/zinc/70/90/14/983709014.db2.gz JJVUIHNXDOGZGC-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](CCC)CCCC ZINC001252465670 983792439 /nfs/dbraw/zinc/79/24/39/983792439.db2.gz IWLMJEOEDIMVPL-ZDUSSCGKSA-N 1 0 229.364 2.062 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](C)C1CCCC1 ZINC001357897461 983801375 /nfs/dbraw/zinc/80/13/75/983801375.db2.gz KBLAQQMVBAXJFC-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC001252547960 983813894 /nfs/dbraw/zinc/81/38/94/983813894.db2.gz NPGHTSCXOAVTER-XQQFMLRXSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCOC1CCCCC1 ZINC001252619976 983855143 /nfs/dbraw/zinc/85/51/43/983855143.db2.gz HNHBBOCLILBRQL-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC)C1 ZINC001095984381 1169218310 /nfs/dbraw/zinc/21/83/10/1169218310.db2.gz JKUWLBVPTBJKNJ-AGIUHOORSA-N 1 0 248.370 2.084 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C[C@@H](O)C(C)(C)C ZINC001253715208 1169218344 /nfs/dbraw/zinc/21/83/44/1169218344.db2.gz XHSIQCPXSDRGAV-LLVKDONJSA-N 1 0 211.349 2.175 20 30 BEEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)c1cnccn1 ZINC001254636377 1169232690 /nfs/dbraw/zinc/23/26/90/1169232690.db2.gz KEHUTAVEKAGHJP-NWDGAFQWSA-N 1 0 244.342 2.036 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)Cc1ccsc1 ZINC000380159985 1169233788 /nfs/dbraw/zinc/23/37/88/1169233788.db2.gz AWPHCDHBJYJDPL-ZYHUDNBSSA-N 1 0 225.357 2.470 20 30 BEEDRO N#CCN(CC1CCC(O)CC1)C1CCCC1 ZINC000380112844 1169233884 /nfs/dbraw/zinc/23/38/84/1169233884.db2.gz ZYRQSBZHWRNKAX-UHFFFAOYSA-N 1 0 236.359 2.306 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172425992 974701601 /nfs/dbraw/zinc/70/16/01/974701601.db2.gz GDHYWNHYPHFSGE-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC001172430680 974713444 /nfs/dbraw/zinc/71/34/44/974713444.db2.gz HHXFQTHMVNUIOD-LBPRGKRZSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C(C)(C)C ZINC001331487528 974741422 /nfs/dbraw/zinc/74/14/22/974741422.db2.gz GWXFOUSLWDGWFZ-VXGBXAGGSA-N 1 0 240.391 2.291 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCN1CCC(C)CC1 ZINC001172476656 974775279 /nfs/dbraw/zinc/77/52/79/974775279.db2.gz PLKDFYDOCVISRH-AWEZNQCLSA-N 1 0 237.391 2.390 20 30 BEEDRO CCSCC[NH2+][C@@H](C)CCCC#N ZINC001172478537 974777602 /nfs/dbraw/zinc/77/76/02/974777602.db2.gz DAMXZWIVBURHTG-JTQLQIEISA-N 1 0 200.351 2.411 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@H]3C2)C1 ZINC001117746036 1169303896 /nfs/dbraw/zinc/30/38/96/1169303896.db2.gz PDWNQAKNQYVGCJ-ZOBORPQBSA-N 1 0 234.343 2.180 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)c1cnccn1 ZINC001172486686 974790711 /nfs/dbraw/zinc/79/07/11/974790711.db2.gz CSWXMGZTTVFWKP-MNOVXSKESA-N 1 0 218.304 2.210 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCOC(C)C ZINC001172443889 974806168 /nfs/dbraw/zinc/80/61/68/974806168.db2.gz SJZFSPCOJZETOP-RYUDHWBXSA-N 1 0 212.337 2.472 20 30 BEEDRO CC(C)COCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001172464768 974827361 /nfs/dbraw/zinc/82/73/61/974827361.db2.gz OEWXMFWMBPKGJH-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)COCC[C@@H](C)[NH2+][C@@H](C)CC#N ZINC001172463210 974828013 /nfs/dbraw/zinc/82/80/13/974828013.db2.gz LHIWLSDGIOFSHR-NWDGAFQWSA-N 1 0 212.337 2.329 20 30 BEEDRO C#CCOc1ccc(C[N@H+]2CC[C@H]2C)cc1 ZINC001138556280 1169358612 /nfs/dbraw/zinc/35/86/12/1169358612.db2.gz NHURPRSIXSGYDE-GFCCVEGCSA-N 1 0 215.296 2.293 20 30 BEEDRO C=CC1CC[NH+](CC2CCC(O)CC2)CC1 ZINC001327870533 972772936 /nfs/dbraw/zinc/77/29/36/972772936.db2.gz JRDIYGZLYXCKEN-UHFFFAOYSA-N 1 0 223.360 2.436 20 30 BEEDRO C#CCN(C)Cc1ccc(OC(F)F)c(O)c1 ZINC001140629532 1169375099 /nfs/dbraw/zinc/37/50/99/1169375099.db2.gz ZHYGLPYSPFMILB-UHFFFAOYSA-N 1 0 241.237 2.059 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCC1(C)CC1 ZINC001146473908 973157277 /nfs/dbraw/zinc/15/72/77/973157277.db2.gz MREMMXFTPVKYOY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1ncccc1C#N ZINC001155021279 1169418665 /nfs/dbraw/zinc/41/86/65/1169418665.db2.gz VNIPQPXKGRKIGQ-YPMHNXCESA-N 1 0 244.342 2.001 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)C(C)(C)C ZINC001161013280 1169444640 /nfs/dbraw/zinc/44/46/40/1169444640.db2.gz RDAAZZNNKDMWJU-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001161013279 1169444316 /nfs/dbraw/zinc/44/43/16/1169444316.db2.gz RDAAZZNNKDMWJU-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO SC1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203138607 1169447451 /nfs/dbraw/zinc/44/74/51/1169447451.db2.gz VGWHJTRFTWNHTC-UHFFFAOYSA-N 1 0 249.339 2.117 20 30 BEEDRO C#CCCCNc1cc[nH+]c2c1ccn2C ZINC001162446980 1169452147 /nfs/dbraw/zinc/45/21/47/1169452147.db2.gz XCKYWUSWXFIXBO-UHFFFAOYSA-N 1 0 213.284 2.399 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC000402287999 970782192 /nfs/dbraw/zinc/78/21/92/970782192.db2.gz XTNLEUBKRAIKAV-XUJVJEKNSA-N 1 0 244.338 2.322 20 30 BEEDRO Nc1cc(NCC#Cc2ccccc2)[nH+]cc1F ZINC001170426206 970786463 /nfs/dbraw/zinc/78/64/63/970786463.db2.gz PGLMWEIHUXWCHZ-UHFFFAOYSA-N 1 0 241.269 2.267 20 30 BEEDRO C=CCC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001215696909 970806754 /nfs/dbraw/zinc/80/67/54/970806754.db2.gz NVHYPQOJPVGEKJ-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CCOC1CCC([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001256444573 970843931 /nfs/dbraw/zinc/84/39/31/970843931.db2.gz USPWIQDRIUXQMD-HIFPTAJRSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](C)CCC(C)(C)C ZINC001147787450 973761985 /nfs/dbraw/zinc/76/19/85/973761985.db2.gz VVDYWRKTWLMRET-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H]1C=CCCC1 ZINC001130151104 970931808 /nfs/dbraw/zinc/93/18/08/970931808.db2.gz WAMSEZORZMGUEX-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH2+]CC1(C#N)CCC1 ZINC001256716244 970933790 /nfs/dbraw/zinc/93/37/90/970933790.db2.gz NUYGLIBNXZTGCL-LBPRGKRZSA-N 1 0 229.327 2.296 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403404389 970934286 /nfs/dbraw/zinc/93/42/86/970934286.db2.gz UWUKPIYVPDJCAX-UPJWGTAASA-N 1 0 223.385 2.379 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH+]1CCC(C#N)CC1 ZINC001256736774 970966447 /nfs/dbraw/zinc/96/64/47/970966447.db2.gz SLBKAOVMIFWQQL-GFCCVEGCSA-N 1 0 229.327 2.248 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]1CCC ZINC001130566243 971001270 /nfs/dbraw/zinc/00/12/70/971001270.db2.gz CNXLNANETFSRDB-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)C(CC)CC ZINC001130573743 971011720 /nfs/dbraw/zinc/01/17/20/971011720.db2.gz YEKUOZUOGPCAEL-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO CC1(C#N)CN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256911589 971019753 /nfs/dbraw/zinc/01/97/53/971019753.db2.gz QBAFSNZBWDFJHX-CQSZACIVSA-N 1 0 247.386 2.239 20 30 BEEDRO CN(CCC#N)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256911515 971021157 /nfs/dbraw/zinc/02/11/57/971021157.db2.gz ODGNBSWMZORDIL-CQSZACIVSA-N 1 0 235.375 2.239 20 30 BEEDRO CC[C@H](C#N)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906894 971021230 /nfs/dbraw/zinc/02/12/30/971021230.db2.gz FCBIUTAYDLMWIW-CHWSQXEVSA-N 1 0 235.375 2.285 20 30 BEEDRO C#C[C@H](C)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904729 971022036 /nfs/dbraw/zinc/02/20/36/971022036.db2.gz MJNVCGMEWQMISJ-QWHCGFSZSA-N 1 0 220.360 2.005 20 30 BEEDRO N#CC1CCC(N(C(N)=[NH2+])c2ccccc2)CC1 ZINC001256956228 971031723 /nfs/dbraw/zinc/03/17/23/971031723.db2.gz MIHSBEKZYABHLF-UHFFFAOYSA-N 1 0 242.326 2.469 20 30 BEEDRO CO[C@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256965236 971027596 /nfs/dbraw/zinc/02/75/96/971027596.db2.gz NPWOOMRWNBVDHZ-BPCQOVAHSA-N 1 0 222.332 2.180 20 30 BEEDRO CCOC(=O)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC001256953766 971031997 /nfs/dbraw/zinc/03/19/97/971031997.db2.gz MYVZBWXJDZORHX-UNXYVOJBSA-N 1 0 238.331 2.000 20 30 BEEDRO N#CC1CCC([NH2+]CCN2CCCCC2)CC1 ZINC001256954871 971030356 /nfs/dbraw/zinc/03/03/56/971030356.db2.gz MLTRKJKNHDZZQB-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO N#Cc1coc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC001256964274 971030736 /nfs/dbraw/zinc/03/07/36/971030736.db2.gz YTWJWYGKKQFUDC-UHFFFAOYSA-N 1 0 229.283 2.323 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CC23CCOCC3)CC1 ZINC001256957796 971032677 /nfs/dbraw/zinc/03/26/77/971032677.db2.gz FOGMFIPTRWKKGB-BPCQOVAHSA-N 1 0 234.343 2.227 20 30 BEEDRO CC(C)(S)C[NH2+]C1CCC(C#N)CC1 ZINC001256958586 971033798 /nfs/dbraw/zinc/03/37/98/971033798.db2.gz ITYDFTKKOOLMIK-UHFFFAOYSA-N 1 0 212.362 2.367 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@@H](CO)CC2)CC1 ZINC001256964837 971035042 /nfs/dbraw/zinc/03/50/42/971035042.db2.gz DQSPJTRFELNXMU-ROKHWSDSSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCC[C@H]1O ZINC001256964896 971035196 /nfs/dbraw/zinc/03/51/96/971035196.db2.gz GIJBKOJGVRLPBQ-GFJIZPEISA-N 1 0 236.359 2.162 20 30 BEEDRO CCN1CCC[N@@H+](C2CCC(C#N)CC2)CC1 ZINC001256965198 971036386 /nfs/dbraw/zinc/03/63/86/971036386.db2.gz MTTMNRGBWQOGNY-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CC1CCC([NH+]2CC3(C2)CCCCO3)CC1 ZINC001256963853 971036661 /nfs/dbraw/zinc/03/66/61/971036661.db2.gz NNGYQDYGBNAYHN-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CC[C@@]1(C)O ZINC001256963366 971037148 /nfs/dbraw/zinc/03/71/48/971037148.db2.gz GSGKVZKAGCKKJY-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCCO1 ZINC001256965218 971037376 /nfs/dbraw/zinc/03/73/76/971037376.db2.gz NGZZSFJXXQAEKC-HIFPTAJRSA-N 1 0 222.332 2.180 20 30 BEEDRO CNc1cc(Nc2cc(C#N)ccn2)cc[nH+]1 ZINC001216331000 971041359 /nfs/dbraw/zinc/04/13/59/971041359.db2.gz ICMLCJVBFYTAQP-UHFFFAOYSA-N 1 0 225.255 2.134 20 30 BEEDRO CCCOC1C[NH+](C2CCC(C#N)CC2)C1 ZINC001256969074 971041627 /nfs/dbraw/zinc/04/16/27/971041627.db2.gz ZRPFMMVDSSETDD-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO CNc1cc(Nc2cncc(C#N)c2)cc[nH+]1 ZINC001216331167 971041918 /nfs/dbraw/zinc/04/19/18/971041918.db2.gz LMSFPNDRCYXQGY-UHFFFAOYSA-N 1 0 225.255 2.134 20 30 BEEDRO CNc1cc(Nc2ncccc2C#N)cc[nH+]1 ZINC001216331276 971043545 /nfs/dbraw/zinc/04/35/45/971043545.db2.gz OICULWFCDHJNJA-UHFFFAOYSA-N 1 0 225.255 2.134 20 30 BEEDRO N#CC1CCC(n2ccc3c2CC[NH2+]C3)CC1 ZINC001256971729 971049682 /nfs/dbraw/zinc/04/96/82/971049682.db2.gz LSBMRHFBSHMXHZ-UHFFFAOYSA-N 1 0 229.327 2.389 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256970730 971050075 /nfs/dbraw/zinc/05/00/75/971050075.db2.gz CHGPYFPIFWAZTQ-BPCQOVAHSA-N 1 0 220.316 2.122 20 30 BEEDRO CNc1cc(Nc2oc(C)nc2C#N)cc[nH+]1 ZINC001216334507 971050208 /nfs/dbraw/zinc/05/02/08/971050208.db2.gz XSIYRDAPLUJTPP-UHFFFAOYSA-N 1 0 229.243 2.035 20 30 BEEDRO N#CC1CCC([N@H+]2C[C@@H]3C(=O)CCC[C@@H]3C2)CC1 ZINC001256970807 971050458 /nfs/dbraw/zinc/05/04/58/971050458.db2.gz FQDPXJWXAFBCSR-HHTDUIENSA-N 1 0 246.354 2.370 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@H](CCO)C2)CC1 ZINC001256969324 971045987 /nfs/dbraw/zinc/04/59/87/971045987.db2.gz DXGIUULWGRNVOP-ROKHWSDSSA-N 1 0 236.359 2.163 20 30 BEEDRO CNc1cc(Nc2cnccc2C#N)cc[nH+]1 ZINC001216333258 971045991 /nfs/dbraw/zinc/04/59/91/971045991.db2.gz NYBJSEQLCKMPAW-UHFFFAOYSA-N 1 0 225.255 2.134 20 30 BEEDRO N#CC1CCC([N@@H+]2C[C@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001256970805 971050944 /nfs/dbraw/zinc/05/09/44/971050944.db2.gz FQDPXJWXAFBCSR-FKZOYECMSA-N 1 0 246.354 2.370 20 30 BEEDRO CC(C)N(C)[C@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256972135 971048134 /nfs/dbraw/zinc/04/81/34/971048134.db2.gz RHBRMQJOJXPJGY-NRXISQOPSA-N 1 0 249.402 2.483 20 30 BEEDRO C=CCCC(=O)N1CC[NH+](CCC(C)C)CC1 ZINC000102337184 971057700 /nfs/dbraw/zinc/05/77/00/971057700.db2.gz QYUGKXNWUJPOQS-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CCO[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256972002 971053389 /nfs/dbraw/zinc/05/33/89/971053389.db2.gz QKUFMYUTSHTHSQ-WXRRBKDZSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@H]3OCC[C@@H]3C2)CC1 ZINC001256973833 971055029 /nfs/dbraw/zinc/05/50/29/971055029.db2.gz ZKYIGZIUBMYMAF-FKZOYECMSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1nn(C)cc1C ZINC000723993610 971061959 /nfs/dbraw/zinc/06/19/59/971061959.db2.gz QNLAGHKGYJWBJF-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C[N@H+](CCCc1ccc(C#N)cc1)CC1COC1 ZINC001208863075 1169511332 /nfs/dbraw/zinc/51/13/32/1169511332.db2.gz VNFLFHOEMPYUQT-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@@H]1CC([NH2+]Cc2cc(C#N)co2)C[C@@H](C)O1 ZINC001257084450 971098623 /nfs/dbraw/zinc/09/86/23/971098623.db2.gz BNJDNCBVNVYRCF-NXEZZACHSA-N 1 0 234.299 2.197 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001257103290 971115126 /nfs/dbraw/zinc/11/51/26/971115126.db2.gz RAWLNLWLTCXNAW-DABQJJPHSA-N 1 0 221.344 2.288 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1n1cncn1 ZINC001257169323 971119799 /nfs/dbraw/zinc/11/97/99/971119799.db2.gz SASHUUXTCZMRHG-MJBXVCDLSA-N 1 0 246.358 2.011 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1n1cncn1 ZINC001257169321 971120394 /nfs/dbraw/zinc/12/03/94/971120394.db2.gz SASHUUXTCZMRHG-MCIONIFRSA-N 1 0 246.358 2.011 20 30 BEEDRO CC(C)[NH+]1CCC(NC2=CC(=O)CCC2)CC1 ZINC001257201948 971125156 /nfs/dbraw/zinc/12/51/56/971125156.db2.gz NBMFWIOZQMALAK-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCN1CCC[C@@H]([NH2+][C@@H](CC)CCC)C1=O ZINC001257250046 971144170 /nfs/dbraw/zinc/14/41/70/971144170.db2.gz IHSBMAWOQBCCDE-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C1CCCCCCC1 ZINC001131145699 971147123 /nfs/dbraw/zinc/14/71/23/971147123.db2.gz HCQMKPCIVCCHPG-UHFFFAOYSA-N 1 0 238.375 2.239 20 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C=CC[N@@H+]1C[C@H](NC(=O)/C(C)=C\C)CC[C@@H]1C ZINC001131950401 971299461 /nfs/dbraw/zinc/29/94/61/971299461.db2.gz LKLQBKTZJLMJAD-BLJGWETHSA-N 1 0 236.359 2.108 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@@](C)([NH3+])C1 ZINC000405772019 971307595 /nfs/dbraw/zinc/30/75/95/971307595.db2.gz AEXZWCHQXOECEB-CYBMUJFWSA-N 1 0 226.364 2.297 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC)C1 ZINC001132257211 971327049 /nfs/dbraw/zinc/32/70/49/971327049.db2.gz UFPJLTHRDGXTFP-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC001132538998 971373424 /nfs/dbraw/zinc/37/34/24/971373424.db2.gz SVPBILLDSHJVSU-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO CC#Cc1cncc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001170623183 971378451 /nfs/dbraw/zinc/37/84/51/971378451.db2.gz DWGVFAXOAGXPQS-QWHCGFSZSA-N 1 0 229.327 2.135 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(CCC)CCC1 ZINC001132572965 971381407 /nfs/dbraw/zinc/38/14/07/971381407.db2.gz HQTFEFYWGLLDKT-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001132660109 971395443 /nfs/dbraw/zinc/39/54/43/971395443.db2.gz IZHNIEGBYKTGMH-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CCC1CC1 ZINC001132654071 971395918 /nfs/dbraw/zinc/39/59/18/971395918.db2.gz YGWYHQLGGSYEIJ-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]C[C@H](F)CC ZINC001132660231 971396574 /nfs/dbraw/zinc/39/65/74/971396574.db2.gz KVLBYNOVOYFLRE-NWDGAFQWSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C[C@@H](F)CC ZINC001132654081 971396619 /nfs/dbraw/zinc/39/66/19/971396619.db2.gz YKMDCJYLCQSMNF-RYUDHWBXSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]C[C@H](C)CC ZINC001132660108 971397097 /nfs/dbraw/zinc/39/70/97/971397097.db2.gz IZHNIEGBYKTGMH-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C[C@@H](F)CC ZINC001132654079 971397573 /nfs/dbraw/zinc/39/75/73/971397573.db2.gz YKMDCJYLCQSMNF-NEPJUHHUSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C/C=C\Cl ZINC001132663342 971399310 /nfs/dbraw/zinc/39/93/10/971399310.db2.gz VBQZYLQGCDLVCB-DOGVGXBMSA-N 1 0 244.766 2.047 20 30 BEEDRO C#C[C@H](C)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624818 974121147 /nfs/dbraw/zinc/12/11/47/974121147.db2.gz YRKHMOPMBIZDDA-NSHDSACASA-N 1 0 222.376 2.249 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001133063244 971448046 /nfs/dbraw/zinc/44/80/46/971448046.db2.gz XHFDRINMTWELKZ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCNC(=O)c1ccc(CCC)cc1 ZINC001133089422 971449470 /nfs/dbraw/zinc/44/94/70/971449470.db2.gz GSMYGNJZQDYCPH-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO Fc1cc(F)c2c(c1)CC[C@H]([NH2+]CCS)C2 ZINC001170660199 971460444 /nfs/dbraw/zinc/46/04/44/971460444.db2.gz UOOBSQKARZCBBD-JTQLQIEISA-N 1 0 243.322 2.342 20 30 BEEDRO CC(C)(S)C[NH2+][C@H]1CCCSC1 ZINC001257663141 971462296 /nfs/dbraw/zinc/46/22/96/971462296.db2.gz UKWGYLAPQYUZRI-QMMMGPOBSA-N 1 0 205.392 2.180 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]C[C@H](C)CC ZINC001133142497 971463367 /nfs/dbraw/zinc/46/33/67/971463367.db2.gz DJKKQXLQDGWHDR-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO N#CC[C@H](OCCC[NH3+])c1ccccc1 ZINC001217879383 971475811 /nfs/dbraw/zinc/47/58/11/971475811.db2.gz RXGMULMOPJESSV-LBPRGKRZSA-N 1 0 204.273 2.007 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001257677280 971477133 /nfs/dbraw/zinc/47/71/33/971477133.db2.gz VOZKUJCUNMEXMP-VXGBXAGGSA-N 1 0 209.358 2.227 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170674581 971485263 /nfs/dbraw/zinc/48/52/63/971485263.db2.gz QHJUXASEIMVCOF-CABZTGNLSA-N 1 0 235.277 2.433 20 30 BEEDRO CC#CC[C@H](CC)OC[C@H]1CCC[NH2+]C1 ZINC001217891742 971490402 /nfs/dbraw/zinc/49/04/02/971490402.db2.gz AWSUHZYCGUNBLK-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@@H](CC(C)C)OC[C@H]1CCC[NH2+]C1 ZINC001217893216 971492888 /nfs/dbraw/zinc/49/28/88/971492888.db2.gz XEDJDHIFDBABTF-STQMWFEESA-N 1 0 209.333 2.051 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C1CCC(=C)CC1 ZINC001133362647 971503863 /nfs/dbraw/zinc/50/38/63/971503863.db2.gz OXUMWZVSXOHWMU-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC1(C(=O)NCC[NH2+]CCCC)CCC1 ZINC001133395529 971507449 /nfs/dbraw/zinc/50/74/49/971507449.db2.gz OKKJCMNRKYPCNY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCC1(C(=O)NCC[NH2+]CC(=C)C)CCC1 ZINC001133392369 971507673 /nfs/dbraw/zinc/50/76/73/971507673.db2.gz UBPKHHBCGZGKGY-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CO)C3CC3)C[C@H](C1)C2 ZINC001257887946 971518724 /nfs/dbraw/zinc/51/87/24/971518724.db2.gz PVQFMWVLABONRR-KNUOEEMSSA-N 1 0 235.371 2.482 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001133443059 971528916 /nfs/dbraw/zinc/52/89/16/971528916.db2.gz MIGRNAWSSWPJBP-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO CC(C)(S)C[NH2+]C1CCC2(COC2)CC1 ZINC001257898859 971530826 /nfs/dbraw/zinc/53/08/26/971530826.db2.gz AGMAMYUVDSKJPQ-UHFFFAOYSA-N 1 0 229.389 2.244 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(F)F ZINC001133451351 971543433 /nfs/dbraw/zinc/54/34/33/971543433.db2.gz DMYLLRCSOGACOJ-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C#CC1([NH2+][C@H]2COc3ccc(Cl)cc3C2)CC1 ZINC001257949769 971544458 /nfs/dbraw/zinc/54/44/58/971544458.db2.gz BLLBQZLKPDJUKM-GFCCVEGCSA-N 1 0 247.725 2.399 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)F ZINC001133474159 971545281 /nfs/dbraw/zinc/54/52/81/971545281.db2.gz QFJFSOWDZWFPQZ-QWRGUYRKSA-N 1 0 244.354 2.184 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC1CC1 ZINC001133482889 971549267 /nfs/dbraw/zinc/54/92/67/971549267.db2.gz QJGVTGNESMTMMS-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCC ZINC001133502484 971550844 /nfs/dbraw/zinc/55/08/44/971550844.db2.gz FWGREHNIVNIYQE-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO CC(=O)C=C(C)NC1CC[NH+](CC(C)C)CC1 ZINC001258002593 971551715 /nfs/dbraw/zinc/55/17/15/971551715.db2.gz RTQWZESJSORWBB-XFXZXTDPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC ZINC001133509160 971552788 /nfs/dbraw/zinc/55/27/88/971552788.db2.gz RRQYDYDAWKPMQP-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@H]1CCCC[NH2+]C1 ZINC001217970141 971555889 /nfs/dbraw/zinc/55/58/89/971555889.db2.gz CMVOQSJGCFFNFA-ZDUSSCGKSA-N 1 0 230.311 2.388 20 30 BEEDRO Cc1cc(O[C@H]2CCCC[NH2+]C2)ccc1C#N ZINC001217969982 971556341 /nfs/dbraw/zinc/55/63/41/971556341.db2.gz GIYOVXWMRHAXDN-AWEZNQCLSA-N 1 0 230.311 2.388 20 30 BEEDRO CCOC(=O)CC1CCC([NH2+]CCC#N)CC1 ZINC001258020090 971556991 /nfs/dbraw/zinc/55/69/91/971556991.db2.gz MOSMRCCWOHOMNW-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO Cc1cc(C#N)cc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217977887 971557341 /nfs/dbraw/zinc/55/73/41/971557341.db2.gz OOVGZKNANHFWRL-KBPBESRZSA-N 1 0 248.301 2.336 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258023149 971558341 /nfs/dbraw/zinc/55/83/41/971558341.db2.gz UCFPNEVZVKVPEW-HIFPTAJRSA-N 1 0 237.343 2.110 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217975320 971558783 /nfs/dbraw/zinc/55/87/83/971558783.db2.gz ICPZGGZKXYJDPR-TZMCWYRMSA-N 1 0 248.301 2.336 20 30 BEEDRO CCOC(=O)CC1CCC([NH2+]CCS)CC1 ZINC001258020998 971559495 /nfs/dbraw/zinc/55/94/95/971559495.db2.gz MJTALOVODKLCPE-UHFFFAOYSA-N 1 0 245.388 2.018 20 30 BEEDRO CCCCCCC[C@@H](C)[N@H+](C)C[C@@H](O)CO ZINC001258045189 971560248 /nfs/dbraw/zinc/56/02/48/971560248.db2.gz YHFZFMLPRSWTFN-CHWSQXEVSA-N 1 0 231.380 2.020 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C=C(C)C ZINC001133590150 971570289 /nfs/dbraw/zinc/57/02/89/971570289.db2.gz GHHATGXMRHSSRQ-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC001258044491 971570537 /nfs/dbraw/zinc/57/05/37/971570537.db2.gz OZPRQZWKUWSKEE-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CCc1ccccc1O[C@H]1C[NH2+]C[C@@H]1F ZINC001218019287 971574687 /nfs/dbraw/zinc/57/46/87/971574687.db2.gz HPARKIOZSYOBIZ-AAEUAGOBSA-N 1 0 221.275 2.104 20 30 BEEDRO Cc1cccc(O[C@@H]2C[NH2+]CC[C@H]2C)c1C#N ZINC001218043303 971583278 /nfs/dbraw/zinc/58/32/78/971583278.db2.gz JVZDPEUYUFHJLE-BXUZGUMPSA-N 1 0 230.311 2.244 20 30 BEEDRO Cc1cc(O[C@@H]2C[NH2+][C@H](C)C2)c(C)cc1C#N ZINC001218045606 971586869 /nfs/dbraw/zinc/58/68/69/971586869.db2.gz DUYDBHTUBHIMCD-YPMHNXCESA-N 1 0 230.311 2.304 20 30 BEEDRO Cc1c(C#N)ccc(O[C@@H]2C[NH2+][C@H](C)C2)c1C ZINC001218045779 971587443 /nfs/dbraw/zinc/58/74/43/971587443.db2.gz OOIOFYLFWKNNMT-RNCFNFMXSA-N 1 0 230.311 2.304 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133764736 971596635 /nfs/dbraw/zinc/59/66/35/971596635.db2.gz KXRMSMQVBZQNPG-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133759148 971595525 /nfs/dbraw/zinc/59/55/25/971595525.db2.gz QSMZQQAZOLRRAY-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133759146 971596189 /nfs/dbraw/zinc/59/61/89/971596189.db2.gz QSMZQQAZOLRRAY-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC ZINC001133707901 971592116 /nfs/dbraw/zinc/59/21/16/971592116.db2.gz MUUOCAZUCLWHIW-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCCC ZINC001133687312 971592698 /nfs/dbraw/zinc/59/26/98/971592698.db2.gz HVQWXDCXSKKDDI-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC ZINC001133764431 971597976 /nfs/dbraw/zinc/59/79/76/971597976.db2.gz HFWRFQFRGJCFIC-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(CC)CC ZINC001133768645 971598670 /nfs/dbraw/zinc/59/86/70/971598670.db2.gz ICAYJBOLNIUGEU-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO CC#CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCC ZINC001133769982 971599079 /nfs/dbraw/zinc/59/90/79/971599079.db2.gz WQNFZAPTYORUPR-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@H]1CC[NH2+]C1 ZINC001218180704 971614666 /nfs/dbraw/zinc/61/46/66/971614666.db2.gz BFWQFRSUZWKQMK-LBPRGKRZSA-N 1 0 230.311 2.422 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(F)cc2C#N)C1 ZINC001227023708 1169618425 /nfs/dbraw/zinc/61/84/25/1169618425.db2.gz JETGKRSEGHTBDJ-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCCF ZINC001133887978 971614899 /nfs/dbraw/zinc/61/48/99/971614899.db2.gz DROAPNQNSPVYQJ-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]C(C)C ZINC001133888823 971616283 /nfs/dbraw/zinc/61/62/83/971616283.db2.gz NBZNGRGXSJNUBC-RYUDHWBXSA-N 1 0 226.364 2.234 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc(C)c1F ZINC001218207803 971627333 /nfs/dbraw/zinc/62/73/33/971627333.db2.gz UJNXMJSISLFAGX-LBPRGKRZSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C)c(OC)c1 ZINC001218210656 971631047 /nfs/dbraw/zinc/63/10/47/971631047.db2.gz GNBOUEPWZJBPDS-AWEZNQCLSA-N 1 0 233.311 2.301 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C=C1CCC1 ZINC001134108357 971667376 /nfs/dbraw/zinc/66/73/76/971667376.db2.gz ASBWUJCJPPARIV-RYUDHWBXSA-N 1 0 236.359 2.156 20 30 BEEDRO CC(=O)/C=C/c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218284488 971678264 /nfs/dbraw/zinc/67/82/64/971678264.db2.gz RLSRZEVXVWNIIP-RGDDUWESSA-N 1 0 245.322 2.420 20 30 BEEDRO N#Cc1cc(O[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001218285853 971680930 /nfs/dbraw/zinc/68/09/30/971680930.db2.gz OEBRFMNQTQMFDV-LLVKDONJSA-N 1 0 236.702 2.342 20 30 BEEDRO C=C[C@@H](CC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218290935 971685236 /nfs/dbraw/zinc/68/52/36/971685236.db2.gz LVTCLCZNNGHBLW-AWEZNQCLSA-N 1 0 246.354 2.440 20 30 BEEDRO C=C[C@H](CC)Oc1ccccc1N1CC[NH2+]CC1 ZINC001218290820 971686476 /nfs/dbraw/zinc/68/64/76/971686476.db2.gz KWBVQZXHQRHYAP-CYBMUJFWSA-N 1 0 246.354 2.440 20 30 BEEDRO N#Cc1cc(F)cc(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001229034041 1169644517 /nfs/dbraw/zinc/64/45/17/1169644517.db2.gz BCWXUQRPXYTKBA-CQSZACIVSA-N 1 0 246.285 2.170 20 30 BEEDRO C#C[C@H]1CCC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218342906 971716260 /nfs/dbraw/zinc/71/62/60/971716260.db2.gz ACQPQMRMHUGOFY-JSGCOSHPSA-N 1 0 215.296 2.326 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)c1cc[nH]c1 ZINC001134427363 971722041 /nfs/dbraw/zinc/72/20/41/971722041.db2.gz OKHTYFFEJFMCDM-NEPJUHHUSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C)CC1 ZINC001134434819 971726284 /nfs/dbraw/zinc/72/62/84/971726284.db2.gz KFRBVYPBYFRGEZ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C)CC1 ZINC001134434657 971726607 /nfs/dbraw/zinc/72/66/07/971726607.db2.gz IEEQAXUNXKTBMA-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001170759809 971734069 /nfs/dbraw/zinc/73/40/69/971734069.db2.gz DKKYCPNRMKDGFQ-KKOKHZNYSA-N 1 0 204.317 2.266 20 30 BEEDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc2cc(C#N)ccc2c1 ZINC001218382248 971761597 /nfs/dbraw/zinc/76/15/97/971761597.db2.gz IVLXQMXKIJIYPI-BONVTDFDSA-N 1 0 238.290 2.451 20 30 BEEDRO C=CCc1ccccc1O[C@H]1C[NH2+][C@H]1C ZINC001218389616 971770168 /nfs/dbraw/zinc/77/01/68/971770168.db2.gz WDMHVCOLJYIISN-GWCFXTLKSA-N 1 0 203.285 2.154 20 30 BEEDRO C=CCc1ccccc1O[C@@H]1C[NH2+][C@@H]1C ZINC001218389621 971770661 /nfs/dbraw/zinc/77/06/61/971770661.db2.gz WDMHVCOLJYIISN-ZWNOBZJWSA-N 1 0 203.285 2.154 20 30 BEEDRO C=CCc1ccc(O[C@H]2C[NH2+][C@@H]2C)cc1 ZINC001218393176 971773809 /nfs/dbraw/zinc/77/38/09/971773809.db2.gz SPLHKGZZRCOXDK-MFKMUULPSA-N 1 0 203.285 2.154 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001134746607 971777528 /nfs/dbraw/zinc/77/75/28/971777528.db2.gz SSLSQJAGDOUBEY-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)CC(C)(C)C ZINC001134803011 971787853 /nfs/dbraw/zinc/78/78/53/971787853.db2.gz NWXQKZBLGDULMI-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[N@@H+](CC)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242335 974505388 /nfs/dbraw/zinc/50/53/88/974505388.db2.gz SXWYNPWAFBZLSZ-YHWZYXNKSA-N 1 0 207.317 2.370 20 30 BEEDRO Cc1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc(C)c1C#N ZINC001218442726 971819293 /nfs/dbraw/zinc/81/92/93/971819293.db2.gz SDDNKEVFEJYEIJ-DFBGVHRSSA-N 1 0 242.322 2.304 20 30 BEEDRO N#Cc1ccc(-c2cnc3c(c2)C[NH2+]CC3)cc1 ZINC001245496061 971828826 /nfs/dbraw/zinc/82/88/26/971828826.db2.gz KJUCGGTWNFLULE-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC ZINC001135189079 971841382 /nfs/dbraw/zinc/84/13/82/971841382.db2.gz SWWMLCNAWAMZLX-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1(C)CCC1 ZINC001135193719 971841731 /nfs/dbraw/zinc/84/17/31/971841731.db2.gz NYUQILCTVFCCQW-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]CCS ZINC001172323003 974533382 /nfs/dbraw/zinc/53/33/82/974533382.db2.gz ZXYNOUDDTJVKGT-NXEZZACHSA-N 1 0 205.367 2.100 20 30 BEEDRO C#Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](F)C2)c1 ZINC001231657682 1169677351 /nfs/dbraw/zinc/67/73/51/1169677351.db2.gz LFZKQOJPRCTPRD-RISCZKNCSA-N 1 0 217.287 2.458 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCF ZINC001135202143 971847760 /nfs/dbraw/zinc/84/77/60/971847760.db2.gz BJCSKXKREUMZIB-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCF ZINC001135203525 971847780 /nfs/dbraw/zinc/84/77/80/971847780.db2.gz OCVHNLCBCZQXEZ-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[NH2+]CCCC#N ZINC001172325971 974536242 /nfs/dbraw/zinc/53/62/42/974536242.db2.gz ZVLBDIMJRBJGEE-RYUDHWBXSA-N 1 0 212.337 2.473 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C=C ZINC001135231062 971855109 /nfs/dbraw/zinc/85/51/09/971855109.db2.gz VTSPTTWCWVCUFF-RYUDHWBXSA-N 1 0 238.375 2.258 20 30 BEEDRO C#CCOCC[N@@H+](C)CCC1(C#N)CCCCC1 ZINC001327320269 972544333 /nfs/dbraw/zinc/54/43/33/972544333.db2.gz KGUJDOLXZPBWSA-UHFFFAOYSA-N 1 0 248.370 2.432 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c1 ZINC001231660269 1169679763 /nfs/dbraw/zinc/67/97/63/1169679763.db2.gz BFRPQXHWNNOCDY-OAHLLOKOSA-N 1 0 227.307 2.079 20 30 BEEDRO C#Cc1cccc(CN(C2CC2)C2COC2)c1 ZINC001231664205 1169681396 /nfs/dbraw/zinc/68/13/96/1169681396.db2.gz WVJPVPFJDDRZEW-UHFFFAOYSA-N 1 0 227.307 2.031 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1cc(C#N)ccn1 ZINC001232480107 1169684057 /nfs/dbraw/zinc/68/40/57/1169684057.db2.gz JJYNKNZIGFGDOE-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](C)CCCCCC ZINC001135546995 971913491 /nfs/dbraw/zinc/91/34/91/971913491.db2.gz GOTJDWWXLQGKIU-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCOCC1 ZINC001170832361 971941311 /nfs/dbraw/zinc/94/13/11/971941311.db2.gz XSZJYGKCHDVSKE-XDQVBPFNSA-N 1 0 234.343 2.322 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\CC ZINC001276801490 971975142 /nfs/dbraw/zinc/97/51/42/971975142.db2.gz PWTJKTQEIQLAFN-OTAKNEKHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC(CC)CC ZINC001135847270 971978212 /nfs/dbraw/zinc/97/82/12/971978212.db2.gz NBQVZPHIWHUXRM-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CC(CC)CC ZINC001135855759 971979860 /nfs/dbraw/zinc/97/98/60/971979860.db2.gz HQCHQJGHSJPJSK-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@](C)(CC)CCC ZINC001135858976 971983511 /nfs/dbraw/zinc/98/35/11/971983511.db2.gz IBQMSWFTGHCKKV-CQSZACIVSA-N 1 0 240.391 2.485 20 30 BEEDRO C#CC1([NH2+][C@@H](C)CCO[C@H](C)CC)CC1 ZINC001172341497 974609211 /nfs/dbraw/zinc/60/92/11/974609211.db2.gz GOKUFFRIHLLRIY-NWDGAFQWSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)cc(C)c1O ZINC001237686814 1169702098 /nfs/dbraw/zinc/70/20/98/1169702098.db2.gz PRMLRJRNYCRHQY-UHFFFAOYSA-N 1 0 223.703 2.419 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001135984062 972016237 /nfs/dbraw/zinc/01/62/37/972016237.db2.gz UPVYTFRMNPFRJL-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001135982441 972016694 /nfs/dbraw/zinc/01/66/94/972016694.db2.gz GPTFLFOUGDTTMY-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@]1(C)CC ZINC001136100999 972031679 /nfs/dbraw/zinc/03/16/79/972031679.db2.gz WSYBLOFKPONEKY-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+][C@@H]1COC[C@H]1O ZINC001172347859 974618417 /nfs/dbraw/zinc/61/84/17/974618417.db2.gz ZZVZOWWARBWYFT-BFHYXJOUSA-N 1 0 243.391 2.475 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)C1(C)CC1 ZINC001170908688 972079668 /nfs/dbraw/zinc/07/96/68/972079668.db2.gz NMYRHSZXOBJQOJ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO N#Cc1ccc(Nc2cc[nH+]c(CO)c2)cc1F ZINC001204053575 972117236 /nfs/dbraw/zinc/11/72/36/972117236.db2.gz JSIYVRDHWBMXNC-UHFFFAOYSA-N 1 0 243.241 2.328 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@@H]1N ZINC001246120390 972181735 /nfs/dbraw/zinc/18/17/35/972181735.db2.gz HHRVLKZGIJSURJ-RWMBFGLXSA-N 1 0 228.380 2.051 20 30 BEEDRO C#C[C@](C)([NH3+])C(=O)NC/C=C(\C)CCC=C(C)C ZINC001220299064 972206164 /nfs/dbraw/zinc/20/61/64/972206164.db2.gz ZKGQBUDTLHXMRI-VOMSXAGXSA-N 1 0 248.370 2.146 20 30 BEEDRO CC1(C[N@@H+]2CCC[C@H](C#N)CC2)CCOCC1 ZINC001207969668 956899483 /nfs/dbraw/zinc/89/94/83/956899483.db2.gz RILKNIUXWMXMFN-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC001167062467 957038992 /nfs/dbraw/zinc/03/89/92/957038992.db2.gz KKBIMBWBMXTXSF-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCN1CC[NH+](C[C@@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208181527 957061562 /nfs/dbraw/zinc/06/15/62/957061562.db2.gz NGWRVTUVVRDSQN-HOTGVXAUSA-N 1 0 246.398 2.230 20 30 BEEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC000705284969 957072900 /nfs/dbraw/zinc/07/29/00/957072900.db2.gz KQAHSEUTMIAPNP-HZMBPMFUSA-N 1 0 248.301 2.043 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)c(C#N)cc2F)CC1 ZINC001208838145 957173441 /nfs/dbraw/zinc/17/34/41/957173441.db2.gz PBHRJCUPIITFEN-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001266339309 957287417 /nfs/dbraw/zinc/28/74/17/957287417.db2.gz NLMUDMQBBXBURE-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)C(C)(C)C ZINC001266351851 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BEEDRO N#Cc1cncc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC000707974123 958880850 /nfs/dbraw/zinc/88/08/50/958880850.db2.gz PLCLEIBUNXMYOD-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)CC ZINC001267117378 958894432 /nfs/dbraw/zinc/89/44/32/958894432.db2.gz RZIOADZCBRFGIO-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)/C(C)=C\CC ZINC001267123062 958910992 /nfs/dbraw/zinc/91/09/92/958910992.db2.gz TUTFCMIBNPWXTO-RDQDRAATSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000403918665 958929866 /nfs/dbraw/zinc/92/98/66/958929866.db2.gz ZJGUXYRUUZGUKF-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H](F)C(C)C ZINC001267138993 958943755 /nfs/dbraw/zinc/94/37/55/958943755.db2.gz DPMBIJNTQJRQQT-VXGBXAGGSA-N 1 0 244.354 2.041 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCc2cccnc21)C(C)C ZINC000300862518 958978409 /nfs/dbraw/zinc/97/84/09/958978409.db2.gz GOQOCIZHHHUMEQ-STQMWFEESA-N 1 0 214.312 2.316 20 30 BEEDRO 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N#Cc1cccc(OCC[NH2+][C@H]2C[C@H]3C[C@H]3C2)c1 ZINC001167913215 959165419 /nfs/dbraw/zinc/16/54/19/959165419.db2.gz NJZQRMCZOJWYRP-WDNDVIMCSA-N 1 0 242.322 2.325 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCNC(=O)CC(C)C ZINC001267234342 959256958 /nfs/dbraw/zinc/25/69/58/959256958.db2.gz BTRZMAHOXRGMMM-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161631197 959282542 /nfs/dbraw/zinc/28/25/42/959282542.db2.gz WAWPSTWLEAJRLG-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H]1CNC(C)=O ZINC001267258532 959315114 /nfs/dbraw/zinc/31/51/14/959315114.db2.gz FHXGCQUYYGCXEM-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C(CC)CC ZINC001267347891 959494053 /nfs/dbraw/zinc/49/40/53/959494053.db2.gz NUHDKIAOZJRQSX-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)CCC1CCC1 ZINC001267360756 959538073 /nfs/dbraw/zinc/53/80/73/959538073.db2.gz PAOQZIYZYQEONJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCN(CCOC)Cc1ccc(OC)cc1C#N 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959889856 /nfs/dbraw/zinc/88/98/56/959889856.db2.gz YTJJPRHFLZLOAS-CMPLNLGQSA-N 1 0 221.300 2.244 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(F)cc1C ZINC001218204030 959891106 /nfs/dbraw/zinc/89/11/06/959891106.db2.gz LHHGRONEQBERKF-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO C=CC[NH+]1CCC(CNC(=O)[C@H](C)CC)CC1 ZINC001222404928 972464810 /nfs/dbraw/zinc/46/48/10/972464810.db2.gz RPDVYRRDSRKDDQ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH+]1CCC(CNC(=O)C(C)C)CC1 ZINC001222410508 972467107 /nfs/dbraw/zinc/46/71/07/972467107.db2.gz GDBSYZKGCNVRIA-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCn1cc(-c2ccc([C@H](C)[NH3+])nc2)cn1 ZINC001222413368 972467646 /nfs/dbraw/zinc/46/76/46/972467646.db2.gz JFEHPKQKUKCDMS-JTQLQIEISA-N 1 0 228.299 2.151 20 30 BEEDRO C=CCn1cc(-c2ccccc2C[NH2+]C)cn1 ZINC001222409284 972468439 /nfs/dbraw/zinc/46/84/39/972468439.db2.gz RZNQDYHAQWKAAV-UHFFFAOYSA-N 1 0 227.311 2.456 20 30 BEEDRO N#Cc1cc(-n2c(N)[nH+]c3ccccc32)ccc1N ZINC001213427344 959962052 /nfs/dbraw/zinc/96/20/52/959962052.db2.gz VRQRHMQYDHTQJV-UHFFFAOYSA-N 1 0 249.277 2.062 20 30 BEEDRO Cc1c(C)c(O[C@H]2C[NH2+]CC[C@H]2F)ccc1C#N ZINC001218318959 959976188 /nfs/dbraw/zinc/97/61/88/959976188.db2.gz KBNIIYZMWBMNJI-OCCSQVGLSA-N 1 0 248.301 2.254 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCC(=C)C ZINC001481041920 959980956 /nfs/dbraw/zinc/98/09/56/959980956.db2.gz MKSVTNXKNDTXQP-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)C=C1CCC1 ZINC001481136304 960125527 /nfs/dbraw/zinc/12/55/27/960125527.db2.gz ZRPYFXPKKGUXHL-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001267617802 960132266 /nfs/dbraw/zinc/13/22/66/960132266.db2.gz KPTUVOTYVQVKEP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+](CCNC(=O)C(C)(C)C)C1CC1 ZINC001481193782 960149373 /nfs/dbraw/zinc/14/93/73/960149373.db2.gz HZCIYEJRZZRJKB-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001144019229 972488310 /nfs/dbraw/zinc/48/83/10/972488310.db2.gz XCKRAUWNQACSQQ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC001144020190 972488722 /nfs/dbraw/zinc/48/87/22/972488722.db2.gz BIZXUAOWGVTFBC-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C=C(CC)CC ZINC001481218938 960249239 /nfs/dbraw/zinc/24/92/39/960249239.db2.gz LNKUOHWONHJIQO-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[NH2+]CCC(C)C ZINC001481235367 960281608 /nfs/dbraw/zinc/28/16/08/960281608.db2.gz NKKJEDOBFYZVNJ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000695669928 960342324 /nfs/dbraw/zinc/34/23/24/960342324.db2.gz YOXCXHZJWOVNTG-SECBINFHSA-N 1 0 217.765 2.102 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC001481268472 960365359 /nfs/dbraw/zinc/36/53/59/960365359.db2.gz XUEZQRYOWDNWCS-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC[NH2+]CCC ZINC001481268896 960367943 /nfs/dbraw/zinc/36/79/43/960367943.db2.gz CKBKCRWFTQVJLE-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)C1CC=CC1 ZINC001267797791 960372864 /nfs/dbraw/zinc/37/28/64/960372864.db2.gz BXFNLVUVOSAQAI-CYBMUJFWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@@]1(C)C=CCC1 ZINC001267814558 960390938 /nfs/dbraw/zinc/39/09/38/960390938.db2.gz HDZVSICFJAXNGM-OCCSQVGLSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N[C@@](C)(C[NH2+]CCC)C1CC1 ZINC001267848151 960441045 /nfs/dbraw/zinc/44/10/45/960441045.db2.gz FRJSIWIPZZSWSN-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC)cc1C ZINC001140676680 960483753 /nfs/dbraw/zinc/48/37/53/960483753.db2.gz GCULPDMQCKTUCG-UHFFFAOYSA-N 1 0 203.285 2.069 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@](C)(O)C1CC1 ZINC000695813170 960490809 /nfs/dbraw/zinc/49/08/09/960490809.db2.gz SFTGQNBKYFPCSP-GWCFXTLKSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CCOCC1 ZINC000695813429 960490839 /nfs/dbraw/zinc/49/08/39/960490839.db2.gz UBCYIHWEUMVQLX-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO CO[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1CC1 ZINC000695836516 960497654 /nfs/dbraw/zinc/49/76/54/960497654.db2.gz NCNJXMDDPBTXME-ZYHUDNBSSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695838833 960498236 /nfs/dbraw/zinc/49/82/36/960498236.db2.gz ZTJCYTYXLQIJIJ-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000695838850 960499027 /nfs/dbraw/zinc/49/90/27/960499027.db2.gz ZTJCYTYXLQIJIJ-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000695835343 960501106 /nfs/dbraw/zinc/50/11/06/960501106.db2.gz HGODFPBJHPJYSL-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1ccnc(OC)n1 ZINC001140692944 960501288 /nfs/dbraw/zinc/50/12/88/960501288.db2.gz ZTNMLEXRMWUEDD-UHFFFAOYSA-N 1 0 235.331 2.273 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1(CO)CC1 ZINC000695842250 960507074 /nfs/dbraw/zinc/50/70/74/960507074.db2.gz LCFSOKHXXDDHEF-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1COC(C)(C)C1 ZINC000695890989 960568815 /nfs/dbraw/zinc/56/88/15/960568815.db2.gz KQIOHNGTCUQYTF-QWRGUYRKSA-N 1 0 224.348 2.472 20 30 BEEDRO Nc1cccc(F)c1C[NH+]1CCC(S)CC1 ZINC001140875517 960662121 /nfs/dbraw/zinc/66/21/21/960662121.db2.gz PXIIFDYYZCPJOE-UHFFFAOYSA-N 1 0 240.347 2.302 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001027040752 960737526 /nfs/dbraw/zinc/73/75/26/960737526.db2.gz IYAMZLDNCMNHRF-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC#CC[NH2+]CCN(C)C(=O)CCCCCC ZINC001481312030 960756888 /nfs/dbraw/zinc/75/68/88/960756888.db2.gz XWNIESAALNMVNF-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C#CCCCCC[NH+]1CCN(CCCF)CC1 ZINC000686675097 960781097 /nfs/dbraw/zinc/78/10/97/960781097.db2.gz DIKCMIMJWJRKKO-UHFFFAOYSA-N 1 0 240.366 2.157 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)OCC1CCCC1 ZINC001222708533 960785649 /nfs/dbraw/zinc/78/56/49/960785649.db2.gz NULHRPJMSRPOGD-CYBMUJFWSA-N 1 0 225.356 2.182 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000686683792 960788862 /nfs/dbraw/zinc/78/88/62/960788862.db2.gz ORLJXAGGIPIPQG-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)CCCCO ZINC000308649167 960812572 /nfs/dbraw/zinc/81/25/72/960812572.db2.gz JKDGJUYGDLREMV-NSHDSACASA-N 1 0 217.378 2.046 20 30 BEEDRO C#CCCCCC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000692858033 960912067 /nfs/dbraw/zinc/91/20/67/960912067.db2.gz NNLYGFMJJGPAIC-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)/C(C)=C/CC ZINC001268055606 961087573 /nfs/dbraw/zinc/08/75/73/961087573.db2.gz SVUGLVZHUMPJSY-RPHSKFLZSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001268079013 961149554 /nfs/dbraw/zinc/14/95/54/961149554.db2.gz NOWQVPGSTLYLMG-LLVKDONJSA-N 1 0 226.364 2.044 20 30 BEEDRO CO[C@H]1CC[C@H](C)[N@H+](CCCCC#N)C1 ZINC000687216817 961203768 /nfs/dbraw/zinc/20/37/68/961203768.db2.gz WYNFYFOIACYRNR-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000840839023 961214262 /nfs/dbraw/zinc/21/42/62/961214262.db2.gz WFSRBAGENZHCLO-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C/C(=C\C=C\N)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001167845082 961248734 /nfs/dbraw/zinc/24/87/34/961248734.db2.gz NREQWRQIHKVHPQ-VDPIJLDTSA-N 1 0 205.305 2.035 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2ccnc(C[NH3+])c2)CC1 ZINC001167845021 961253790 /nfs/dbraw/zinc/25/37/90/961253790.db2.gz MINPVGLAQHDVBO-XYPYZODXSA-N 1 0 230.315 2.035 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC)C[C@H]1C ZINC001268123507 961257490 /nfs/dbraw/zinc/25/74/90/961257490.db2.gz KWHHCANKKDRPOP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]C(C)C)[C@H](C)C1 ZINC001268131777 961267413 /nfs/dbraw/zinc/26/74/13/961267413.db2.gz VREDRVJADDDQFC-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@H](C)CC ZINC001126323832 961298213 /nfs/dbraw/zinc/29/82/13/961298213.db2.gz WHZKCQAGJRICAR-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO COc1cc(CCC#N)c(NC=[NH2+])cc1OC ZINC001167868852 961369706 /nfs/dbraw/zinc/36/97/06/961369706.db2.gz PMPPUPMDTMBORX-UHFFFAOYSA-N 1 0 233.271 2.179 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)CC)C(C)C ZINC001268204687 961420958 /nfs/dbraw/zinc/42/09/58/961420958.db2.gz JPQLUPNLAVQAOG-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)CCC(=C)C)C(C)C ZINC001268214435 961430933 /nfs/dbraw/zinc/43/09/33/961430933.db2.gz UITQFYRNELFXOK-ZDUSSCGKSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C1CC(C)(C(=O)NC[C@@H]([NH2+]CC)C(C)C)C1 ZINC001268216022 961432596 /nfs/dbraw/zinc/43/25/96/961432596.db2.gz GARAJDVUBVUZPY-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO CCN(CCC#N)Cc1cccc2nn(C)cc21 ZINC001142460251 961451008 /nfs/dbraw/zinc/45/10/08/961451008.db2.gz ASHCNRARSBEDTB-UHFFFAOYSA-N 1 0 242.326 2.309 20 30 BEEDRO C=C(C)C(=O)N1CCC([NH3+])(CC2CCC2)CC1 ZINC001142518235 961473375 /nfs/dbraw/zinc/47/33/75/961473375.db2.gz UKSVEGKTOLRFFH-UHFFFAOYSA-N 1 0 236.359 2.073 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC001167891658 961491407 /nfs/dbraw/zinc/49/14/07/961491407.db2.gz NHWZQJQSOLFVMI-GDNZZTSVSA-N 1 0 204.317 2.458 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167896350 961521116 /nfs/dbraw/zinc/52/11/16/961521116.db2.gz BHGPMZLLGLRLQD-HALBRFILSA-N 1 0 204.317 2.457 20 30 BEEDRO C=C(C)CCC(=O)NC1C[NH+](C[C@H](C)CC)C1 ZINC001268310077 961582948 /nfs/dbraw/zinc/58/29/48/961582948.db2.gz CMMUUEIYVOPAFA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)CC ZINC001268345134 961636412 /nfs/dbraw/zinc/63/64/12/961636412.db2.gz LZFOVEYLZXOGOH-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142882154 961813329 /nfs/dbraw/zinc/81/33/29/961813329.db2.gz GAWMIBAVGWTIPS-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO N#Cc1ccc(OCC[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167911959 961820254 /nfs/dbraw/zinc/82/02/54/961820254.db2.gz FSNCNHPLNMVIOG-WDNDVIMCSA-N 1 0 242.322 2.325 20 30 BEEDRO C=C(C)CN(CC)C(=O)CC[NH+]1CCCCC1 ZINC001142914493 961825511 /nfs/dbraw/zinc/82/55/11/961825511.db2.gz QDICWHJDEMCOKW-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)/C(C)=C/C ZINC001481800709 961831887 /nfs/dbraw/zinc/83/18/87/961831887.db2.gz KWVQADBDGJPBIX-UWUHSAQLSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC1(C)CC1 ZINC001481833694 961841165 /nfs/dbraw/zinc/84/11/65/961841165.db2.gz BFBIBNWOJBHXGW-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC(=O)N[C@@](C)(C[NH2+]CC)C1CC1 ZINC001481940318 961876109 /nfs/dbraw/zinc/87/61/09/961876109.db2.gz VYYMBVJGNLZQBY-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]CC[C@H]1CCCN(C(=O)CC)C1 ZINC001481963832 961887716 /nfs/dbraw/zinc/88/77/16/961887716.db2.gz NMYMSQXOKFLLMH-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001143223576 961963509 /nfs/dbraw/zinc/96/35/09/961963509.db2.gz JENUDSAONUPVPN-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cc3cccnc3[nH]2)C1 ZINC001143223354 961964764 /nfs/dbraw/zinc/96/47/64/961964764.db2.gz JENUDSAONUPVPN-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@@H](C)CC ZINC001482080429 961996459 /nfs/dbraw/zinc/99/64/59/961996459.db2.gz MDCBZWKHSQVYCI-ZJUUUORDSA-N 1 0 246.782 2.127 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000843427154 962004364 /nfs/dbraw/zinc/00/43/64/962004364.db2.gz TWSGZGHUDVEMAJ-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccnn2CC)C1 ZINC000843424573 962006705 /nfs/dbraw/zinc/00/67/05/962006705.db2.gz WKKALWHPAKFZLL-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO N#Cc1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1F ZINC001225352933 962107271 /nfs/dbraw/zinc/10/72/71/962107271.db2.gz FKWXIJLPSVQFCL-CQSZACIVSA-N 1 0 246.285 2.170 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(N)c1)CC1CC1 ZINC000130256131 962146773 /nfs/dbraw/zinc/14/67/73/962146773.db2.gz HOQNTSSISLIXSY-UHFFFAOYSA-N 1 0 214.312 2.114 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940058 962162038 /nfs/dbraw/zinc/16/20/38/962162038.db2.gz OWPGSISNNUWOOT-FVCCEPFGSA-N 1 0 204.317 2.411 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)C1=CCCC1 ZINC001498533597 962177993 /nfs/dbraw/zinc/17/79/93/962177993.db2.gz ZRLJDGBSDADHPG-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C[C@H](C)NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001150695249 962188827 /nfs/dbraw/zinc/18/88/27/962188827.db2.gz HUUKTRLCUSJCIP-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)C(C)(C)C ZINC001268616284 962206483 /nfs/dbraw/zinc/20/64/83/962206483.db2.gz LNIPZKUCWQTARV-CMDGGOBGSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001268659074 962255813 /nfs/dbraw/zinc/25/58/13/962255813.db2.gz LAHMWZBPZPKBHQ-FDYHWXHSSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]CC1CC(C)C1 ZINC001268681631 962280810 /nfs/dbraw/zinc/28/08/10/962280810.db2.gz HOGBHYOADKUPTM-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC001268706256 962303435 /nfs/dbraw/zinc/30/34/35/962303435.db2.gz BAXKWDXKCVQTMS-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)/C=C(/C)CC ZINC001268731185 962319338 /nfs/dbraw/zinc/31/93/38/962319338.db2.gz ZFKIVFBHNITXDT-KXXVWKPMSA-N 1 0 238.375 2.355 20 30 BEEDRO C#CC1([NH2+]C[C@@H](O)C(C)(C)C)CCCCC1 ZINC001253750740 1169804320 /nfs/dbraw/zinc/80/43/20/1169804320.db2.gz DHLQOVPOGMNTKC-GFCCVEGCSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)/C(C)=C/CC ZINC001152189087 962400222 /nfs/dbraw/zinc/40/02/22/962400222.db2.gz QFNNZDKQIOXNGK-CNELAYHGSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC1CCC1 ZINC001152578750 962446479 /nfs/dbraw/zinc/44/64/79/962446479.db2.gz NVYKYDSLLADQAO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001269108076 962460277 /nfs/dbraw/zinc/46/02/77/962460277.db2.gz FTQCOSSAWMFVBA-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)/C(C)=C/C ZINC001152688650 962465978 /nfs/dbraw/zinc/46/59/78/962465978.db2.gz VQFFHYUQYYDMHR-BWODNOAJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[C@H](C)CC ZINC001269223983 962545819 /nfs/dbraw/zinc/54/58/19/962545819.db2.gz SGEGMMMKJIELDE-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CO1 ZINC000711130152 962617502 /nfs/dbraw/zinc/61/75/02/962617502.db2.gz PFCNOVSGPNJPLM-ZJUUUORDSA-N 1 0 236.340 2.277 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)CCC ZINC001269378713 962636416 /nfs/dbraw/zinc/63/64/16/962636416.db2.gz ULRVQTGLXNHLAP-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)/C=C(\C)CC)CC1 ZINC001269407244 962653562 /nfs/dbraw/zinc/65/35/62/962653562.db2.gz HQSFHRSHQMFDLB-XYOKQWHBSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C=C(C)C ZINC001154353959 962763609 /nfs/dbraw/zinc/76/36/09/962763609.db2.gz AXWAJFMSYDBVFI-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C1CCCCC1 ZINC001154255145 962743351 /nfs/dbraw/zinc/74/33/51/962743351.db2.gz WMUTTYUTXQFTJU-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CC1CCCC1 ZINC001154268593 962748659 /nfs/dbraw/zinc/74/86/59/962748659.db2.gz IPMKDSMVCIHKIP-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CC3(C2)C[C@H](F)CS3)C1 ZINC001254668535 1169813339 /nfs/dbraw/zinc/81/33/39/1169813339.db2.gz GJQOLBRZJARANM-OUAUKWLOSA-N 1 0 240.347 2.208 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@@H]1C=CCC1 ZINC001154488196 962790224 /nfs/dbraw/zinc/79/02/24/962790224.db2.gz LOQHBLMUYTZNRR-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CCC)C[C@@H]1C ZINC001269917542 962822928 /nfs/dbraw/zinc/82/29/28/962822928.db2.gz PWTVKNMBZOBCGD-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCC)C[C@@H]1C ZINC001269917540 962824241 /nfs/dbraw/zinc/82/42/41/962824241.db2.gz PWTVKNMBZOBCGD-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CC ZINC001154639890 962826611 /nfs/dbraw/zinc/82/66/11/962826611.db2.gz WZFNAGBVTDAZNM-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CCC1CC1 ZINC001482266977 962870439 /nfs/dbraw/zinc/87/04/39/962870439.db2.gz VJVCDGBDLMGXOM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CCC ZINC001482268387 962881514 /nfs/dbraw/zinc/88/15/14/962881514.db2.gz XWEIDVQZSPKACY-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1cc(C#N)c(N[C@H]2CCC[C@@H]([NH3+])C2)nc1C ZINC001154986881 962931831 /nfs/dbraw/zinc/93/18/31/962931831.db2.gz VCSTUOVMFQOMHY-OLZOCXBDSA-N 1 0 244.342 2.252 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC001254653360 1169816603 /nfs/dbraw/zinc/81/66/03/1169816603.db2.gz MWLGAVHQKRSHIN-AEGPPILISA-N 1 0 244.338 2.392 20 30 BEEDRO CC[NH+](CC)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254670018 1169817662 /nfs/dbraw/zinc/81/76/62/1169817662.db2.gz YBOHZSDLVMNQJP-DZGCQCFKSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001270534281 963003849 /nfs/dbraw/zinc/00/38/49/963003849.db2.gz IYSFNJTVJSRMQQ-QWHCGFSZSA-N 1 0 240.391 2.197 20 30 BEEDRO CCCO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254670056 1169817903 /nfs/dbraw/zinc/81/79/03/1169817903.db2.gz YKZVMDMHJVCTNQ-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)C)C1 ZINC001270680164 963071658 /nfs/dbraw/zinc/07/16/58/963071658.db2.gz IBPJPHYDIGVBNT-AWEZNQCLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CC/C=C/CC ZINC001155586947 963118121 /nfs/dbraw/zinc/11/81/21/963118121.db2.gz QYDVQRFTLJHWKM-FNORWQNLSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCCCNC(=O)c1cccc2c[nH+]cn21 ZINC001155799508 963174881 /nfs/dbraw/zinc/17/48/81/963174881.db2.gz JDXQABWKCAUSIT-UHFFFAOYSA-N 1 0 229.283 2.030 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001155992889 963224418 /nfs/dbraw/zinc/22/44/18/963224418.db2.gz QUKXXNLHXLYDBK-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(F)F ZINC001270878019 963237123 /nfs/dbraw/zinc/23/71/23/963237123.db2.gz LJZPPMCVRKNDCU-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000696610884 963289343 /nfs/dbraw/zinc/28/93/43/963289343.db2.gz RETXOXJIXOENNB-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CCC[N@H+]1CCC[C@](C)(CNC(=O)CC)C1 ZINC001270932870 963303784 /nfs/dbraw/zinc/30/37/84/963303784.db2.gz PONFRPZLQITMKN-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C1CC(C)C1 ZINC001156406564 963335542 /nfs/dbraw/zinc/33/55/42/963335542.db2.gz ZVENLAIEDRLRNA-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(C)=C1CCCC1 ZINC001156429522 963343645 /nfs/dbraw/zinc/34/36/45/963343645.db2.gz BKFZDLNYRGQZFW-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO CC(C)c1ccc(C#N)c(N[C@H]2CC[N@H+](C)C2)n1 ZINC001156575923 963390487 /nfs/dbraw/zinc/39/04/87/963390487.db2.gz OZQTXROTHQJMHP-LBPRGKRZSA-N 1 0 244.342 2.193 20 30 BEEDRO C#CCO[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001205006017 963459340 /nfs/dbraw/zinc/45/93/40/963459340.db2.gz AHADRDIBTPWTSJ-HNNXBMFYSA-N 1 0 229.323 2.301 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)CCCC ZINC001126578780 963527096 /nfs/dbraw/zinc/52/70/96/963527096.db2.gz GOCQESNTKROECR-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001204783317 963547274 /nfs/dbraw/zinc/54/72/74/963547274.db2.gz REVUZERZLQIYCL-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO CC(=NO)c1ccc(O[C@@H](C)C[NH+](C)C)cc1 ZINC000714002261 963572220 /nfs/dbraw/zinc/57/22/20/963572220.db2.gz YEZCCRUTOUYQLJ-JTQLQIEISA-N 1 0 236.315 2.214 20 30 BEEDRO CC(=NO)c1ccc(O[C@H](C)C[NH+](C)C)cc1 ZINC000714002264 963574337 /nfs/dbraw/zinc/57/43/37/963574337.db2.gz YEZCCRUTOUYQLJ-SNVBAGLBSA-N 1 0 236.315 2.214 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)CCCC ZINC001157378161 963589069 /nfs/dbraw/zinc/58/90/69/963589069.db2.gz FFCIIFUVIYXQQV-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCC#N)c1 ZINC000849023419 963599491 /nfs/dbraw/zinc/59/94/91/963599491.db2.gz ROOGRFAUCUZNEA-UHFFFAOYSA-N 1 0 216.288 2.099 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CNC(=O)C(C)C)C(C)C ZINC001482514887 963619029 /nfs/dbraw/zinc/61/90/29/963619029.db2.gz WPPQHLQGSINZJQ-NSHDSACASA-N 1 0 246.782 2.125 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CCO1 ZINC001168080109 963624400 /nfs/dbraw/zinc/62/44/00/963624400.db2.gz UIFVMLFRGGFRPH-CYDGBPFRSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CCO1 ZINC001168080113 963624998 /nfs/dbraw/zinc/62/49/98/963624998.db2.gz UIFVMLFRGGFRPH-NDBYEHHHSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256637916 1169828326 /nfs/dbraw/zinc/82/83/26/1169828326.db2.gz SSRKAGNJTSHSJO-CYBMUJFWSA-N 1 0 241.334 2.308 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)C(C)C ZINC001157546048 963655352 /nfs/dbraw/zinc/65/53/52/963655352.db2.gz PMHNYLOITOIYTN-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)CC#N)C2 ZINC001256639547 1169827711 /nfs/dbraw/zinc/82/77/11/1169827711.db2.gz OXYHHUGYUDKMDY-WCQYABFASA-N 1 0 244.338 2.444 20 30 BEEDRO N#Cc1ccc(OC[C@@H]2CCCC[NH2+]C2)cc1F ZINC000697060071 963684531 /nfs/dbraw/zinc/68/45/31/963684531.db2.gz AYTCEIMHUCKCIV-LLVKDONJSA-N 1 0 248.301 2.466 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCC(CC#N)CC2)CCO1 ZINC001168127886 963802452 /nfs/dbraw/zinc/80/24/52/963802452.db2.gz JTGGCUCYXYKTRO-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1CCO[C@@H](C)C1 ZINC001168129504 963808343 /nfs/dbraw/zinc/80/83/43/963808343.db2.gz YNKYRCRVRQQAPL-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2CC=CCC2)[C@H]1C ZINC001088465097 963832787 /nfs/dbraw/zinc/83/27/87/963832787.db2.gz FLPCICSLXJQIBR-RDBSUJKOSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001088521013 963896283 /nfs/dbraw/zinc/89/62/83/963896283.db2.gz SHMVORVDLMSFTJ-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(N(C)C)nc(C)[nH+]1 ZINC001158737371 963911926 /nfs/dbraw/zinc/91/19/26/963911926.db2.gz SHLKMPJJAURUHT-ZDUSSCGKSA-N 1 0 232.331 2.065 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(C[NH+](C)C)ccn1 ZINC001158742919 963912756 /nfs/dbraw/zinc/91/27/56/963912756.db2.gz NTXLPLITVBLLNF-AWEZNQCLSA-N 1 0 231.343 2.357 20 30 BEEDRO C#C[C@@](C)(CC)Nc1ncc(C)cc1C[NH3+] ZINC001158743605 963912904 /nfs/dbraw/zinc/91/29/04/963912904.db2.gz XZOZYPVRDVKXOB-ZDUSSCGKSA-N 1 0 217.316 2.063 20 30 BEEDRO C[NH+](C)CCC(C)(C)Nc1ccc(C#N)cn1 ZINC001158753961 963914093 /nfs/dbraw/zinc/91/40/93/963914093.db2.gz MWJJGGUBSNYRGI-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO Cc1nc(NC(C)(C)CC[NH+](C)C)ccc1C#N ZINC001158760608 963914545 /nfs/dbraw/zinc/91/45/45/963914545.db2.gz FINPANAALAJQSS-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO Cc1ccc(NC(C)(C)CC[NH+](C)C)nc1C#N ZINC001158758213 963917230 /nfs/dbraw/zinc/91/72/30/963917230.db2.gz VEEJGLKPGNUKLN-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO N#Cc1cc(-n2ccc(C[NH3+])c2)nc2ccccc12 ZINC001158767178 963920585 /nfs/dbraw/zinc/92/05/85/963920585.db2.gz OCWMHFSAVXPRQL-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO CC#Cc1cncc(NC2(C)CC[NH2+]CC2)c1 ZINC001168188069 963947870 /nfs/dbraw/zinc/94/78/70/963947870.db2.gz MAIZRRZROSYNEB-UHFFFAOYSA-N 1 0 229.327 2.007 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]CCCF ZINC001158886994 963951449 /nfs/dbraw/zinc/95/14/49/963951449.db2.gz NASUNQQEXWTHCY-UHFFFAOYSA-N 1 0 244.354 2.044 20 30 BEEDRO C=C(C)C[N@H+]1CC=C(CCNC(=O)C2CC2)CC1 ZINC001158996724 963968899 /nfs/dbraw/zinc/96/88/99/963968899.db2.gz NJMGFXQNNRBZKT-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO CC(C)c1ccc(C#N)c(N(C)C(C)(C)C[NH3+])n1 ZINC001159051158 963982999 /nfs/dbraw/zinc/98/29/99/963982999.db2.gz FPRJWWLWWGWHOU-UHFFFAOYSA-N 1 0 246.358 2.250 20 30 BEEDRO C=C(C)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)nc1 ZINC001168227682 964008957 /nfs/dbraw/zinc/00/89/57/964008957.db2.gz VKOROAQFDBBBPG-NEPJUHHUSA-N 1 0 235.306 2.227 20 30 BEEDRO C=CCCCNc1cc(N(C)C)nc(C)[nH+]1 ZINC001159258537 964038956 /nfs/dbraw/zinc/03/89/56/964038956.db2.gz XCVWODVLXFVECI-UHFFFAOYSA-N 1 0 220.320 2.229 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)Cc2ccncc2)CC1 ZINC001256747142 1169834361 /nfs/dbraw/zinc/83/43/61/1169834361.db2.gz DFRIDCYGJYAQJP-ZDUSSCGKSA-N 1 0 228.339 2.358 20 30 BEEDRO N#Cc1cccc(NC=CC2CC[NH2+]CC2)c1 ZINC001159422341 964082235 /nfs/dbraw/zinc/08/22/35/964082235.db2.gz ZTMHPPWHHIPECS-RMKNXTFCSA-N 1 0 227.311 2.483 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)/C=C(\C)CC ZINC001126757803 964224789 /nfs/dbraw/zinc/22/47/89/964224789.db2.gz JHFVUMUHPAPZIF-ZRDIBKRKSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)CC[NH2+]C(C)C ZINC001482869003 964226998 /nfs/dbraw/zinc/22/69/98/964226998.db2.gz RONKWKMLKKWVIH-LBPRGKRZSA-N 1 0 226.364 2.236 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)OCc1cccs1 ZINC001223864587 964272285 /nfs/dbraw/zinc/27/22/85/964272285.db2.gz HBKHPQGCADQWBE-LLVKDONJSA-N 1 0 239.364 2.253 20 30 BEEDRO C=C(C)C(=O)N(Cc1cccc(C[NH3+])c1)C(C)=N ZINC001142518597 964358822 /nfs/dbraw/zinc/35/88/22/964358822.db2.gz ADNMGVAFEPESBI-UHFFFAOYSA-N 1 0 245.326 2.047 20 30 BEEDRO C[NH+](C)C1CCC(NC2=CC(=O)CCC2)CC1 ZINC001168294754 964387675 /nfs/dbraw/zinc/38/76/75/964387675.db2.gz GOEBDPHNSKRWGY-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO Cc1nc(N[C@@H](C[NH3+])C(C)(C)C)ccc1CC#N ZINC001160914415 964446275 /nfs/dbraw/zinc/44/62/75/964446275.db2.gz OTBAKHXPMKCTOP-LBPRGKRZSA-N 1 0 246.358 2.241 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1ncccc1OC ZINC001160953144 964454137 /nfs/dbraw/zinc/45/41/37/964454137.db2.gz SXSRVLIJSVURDD-LBPRGKRZSA-N 1 0 247.342 2.153 20 30 BEEDRO CC(C)[C@](C)(C#N)NC1CC[NH+](CC2CC2)CC1 ZINC001168355787 964510081 /nfs/dbraw/zinc/51/00/81/964510081.db2.gz AINNBIQFHQPTQD-HNNXBMFYSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC12CC2 ZINC001483064134 964518406 /nfs/dbraw/zinc/51/84/06/964518406.db2.gz HGTPUEXLILZGFM-SZZPACECSA-N 1 0 248.370 2.015 20 30 BEEDRO C[C@@H](CCNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000697877740 964605400 /nfs/dbraw/zinc/60/54/00/964605400.db2.gz OHWOJRYFYNSCQD-NSHDSACASA-N 1 0 249.333 2.127 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)C=CCC2)[C@H]1C ZINC001088799663 964623042 /nfs/dbraw/zinc/62/30/42/964623042.db2.gz COOBJMMPMCDWEU-IPYPFGDCSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCOCc1cccc(NCC[NH+](C)C)c1 ZINC001161672821 964677704 /nfs/dbraw/zinc/67/77/04/964677704.db2.gz JMYQAADFFORQAP-UHFFFAOYSA-N 1 0 234.343 2.363 20 30 BEEDRO C[NH+](C)CCNc1cc(C#N)cc2[nH]ccc21 ZINC001161670858 964678273 /nfs/dbraw/zinc/67/82/73/964678273.db2.gz BOOSCTBRIANSLP-UHFFFAOYSA-N 1 0 228.299 2.013 20 30 BEEDRO N#CC1CCC([NH2+]C2(c3ncccn3)CC2)CC1 ZINC001256959962 1169850354 /nfs/dbraw/zinc/85/03/54/1169850354.db2.gz BYERITKJBICDDK-UHFFFAOYSA-N 1 0 242.326 2.138 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256895233 1169851082 /nfs/dbraw/zinc/85/10/82/1169851082.db2.gz SJFCXGXQQIDMPA-CQSZACIVSA-N 1 0 234.387 2.396 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+]C1CCC(C#N)CC1 ZINC001256959498 1169851486 /nfs/dbraw/zinc/85/14/86/1169851486.db2.gz HQUIDRDHMTUNON-UHFFFAOYSA-N 1 0 222.332 2.416 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CCC1CCOCC1 ZINC001162222257 964879697 /nfs/dbraw/zinc/87/96/97/964879697.db2.gz JXWYRNRACUIPFO-UHFFFAOYSA-N 1 0 225.408 2.231 20 30 BEEDRO C[NH+](C)Cc1ccc(NC2(C#N)CCC2)nc1 ZINC001162310220 964924262 /nfs/dbraw/zinc/92/42/62/964924262.db2.gz DSNRZIRMCPEAIP-UHFFFAOYSA-N 1 0 230.315 2.001 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1(CC)CC1 ZINC001507121880 964954227 /nfs/dbraw/zinc/95/42/27/964954227.db2.gz KTZMCIOYPURTPP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1cc(C#N)cc(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162402122 964960336 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/nfs/dbraw/zinc/24/87/67/965248767.db2.gz SDMRRRLAIBQKIQ-NEPJUHHUSA-N 1 0 212.337 2.139 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H]2COC)c1 ZINC001231658503 965274991 /nfs/dbraw/zinc/27/49/91/965274991.db2.gz XUOVBIFEMVLZTO-OAHLLOKOSA-N 1 0 229.323 2.279 20 30 BEEDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](C#N)C2)c(O)c1 ZINC001231845606 965288060 /nfs/dbraw/zinc/28/80/60/965288060.db2.gz CLIOZXJEFMDWRW-GFCCVEGCSA-N 1 0 230.311 2.355 20 30 BEEDRO CC(C)N(c1cc(CC#N)ccn1)C(C)(C)C[NH3+] ZINC001163188030 965291567 /nfs/dbraw/zinc/29/15/67/965291567.db2.gz JRZLKKSXLOTWLK-UHFFFAOYSA-N 1 0 246.358 2.100 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CC[N@H+]1CCCCC ZINC001483637537 965332518 /nfs/dbraw/zinc/33/25/18/965332518.db2.gz YEDOYPRUKUPVCN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCNc1[nH+]ccc(NC(=O)C(C)(C)C)c1C ZINC001163363492 965365311 /nfs/dbraw/zinc/36/53/11/965365311.db2.gz PQTBRDVPDRONCI-UHFFFAOYSA-N 1 0 245.326 2.420 20 30 BEEDRO C#CCOCCOCC[NH2+][C@@H](CC)CCCC ZINC001257413061 1169866277 /nfs/dbraw/zinc/86/62/77/1169866277.db2.gz RWXSZURQJSACNW-AWEZNQCLSA-N 1 0 241.375 2.211 20 30 BEEDRO C=CCC[NH2+]CC1(CCNC(=O)C(C)C)CC1 ZINC001163476925 965415108 /nfs/dbraw/zinc/41/51/08/965415108.db2.gz VRVPSPSDQQBQMH-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1C#N ZINC001232962326 965445428 /nfs/dbraw/zinc/44/54/28/965445428.db2.gz MJSZHBOGGJVOLS-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C[NH+](C)Cc1cccc(NCCCCC#N)n1 ZINC001168429298 965475396 /nfs/dbraw/zinc/47/53/96/965475396.db2.gz PEANFPLHAFSXRH-UHFFFAOYSA-N 1 0 232.331 2.249 20 30 BEEDRO Cc1[nH+]ccc(NCCCCC#N)c1F ZINC001168433765 965503149 /nfs/dbraw/zinc/50/31/49/965503149.db2.gz IZMFNLUPUCAOGL-UHFFFAOYSA-N 1 0 207.252 2.057 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CNC(=O)CC(C)C)CC1 ZINC001483712356 965567796 /nfs/dbraw/zinc/56/77/96/965567796.db2.gz HOEIBGQYJQPLRZ-UHFFFAOYSA-N 1 0 244.766 2.023 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH2+]CC1CC1 ZINC001163855462 965604869 /nfs/dbraw/zinc/60/48/69/965604869.db2.gz CUWGOIJIXQWLGW-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH2+]CCCF ZINC001163855999 965608659 /nfs/dbraw/zinc/60/86/59/965608659.db2.gz XCQFZRXRYJPLBD-UHFFFAOYSA-N 1 0 244.354 2.044 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH2+]CC(C)C ZINC001163866868 965608908 /nfs/dbraw/zinc/60/89/08/965608908.db2.gz TYAAXBMYKJZOEE-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]Cc1ccccc1N ZINC001163886297 965618980 /nfs/dbraw/zinc/61/89/80/965618980.db2.gz UHUUZHNRPYDWLP-UHFFFAOYSA-N 1 0 218.376 2.197 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168441748 965641854 /nfs/dbraw/zinc/64/18/54/965641854.db2.gz QJYDHRMDRTZCAI-AWEZNQCLSA-N 1 0 217.287 2.248 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CC1CCC1 ZINC001163953467 965658285 /nfs/dbraw/zinc/65/82/85/965658285.db2.gz RZNBPQYZFLOJSU-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1cc2[nH]ccc2c(N2CC(C)(C#N)C2)[nH+]1 ZINC001163949743 965658447 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/nfs/dbraw/zinc/80/40/41/965804041.db2.gz URTUEWQNRRCSSH-OLZOCXBDSA-N 1 0 238.375 2.117 20 30 BEEDRO N#Cc1cc(F)ccc1CN1CCC[C@@H]([NH3+])CC1 ZINC001205110292 965836570 /nfs/dbraw/zinc/83/65/70/965836570.db2.gz QWZJXYFODRRQJV-CQSZACIVSA-N 1 0 247.317 2.011 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC001122404061 965841040 /nfs/dbraw/zinc/84/10/40/965841040.db2.gz OKCXJZNNYSJACP-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC[NH2+]CC1CC1 ZINC001164345963 965853337 /nfs/dbraw/zinc/85/33/37/965853337.db2.gz JINVLNCXYDWWTC-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)C1CCC1 ZINC001122461576 965856125 /nfs/dbraw/zinc/85/61/25/965856125.db2.gz FXGUXYRDDGOFEJ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000699439705 965870163 /nfs/dbraw/zinc/87/01/63/965870163.db2.gz SUPLFUNIPSXUFZ-FZMZJTMJSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H]1COC[C@H]1C ZINC000699825693 966116766 /nfs/dbraw/zinc/11/67/66/966116766.db2.gz VENVAQGXBORLSM-TZMCWYRMSA-N 1 0 247.338 2.376 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H]1COC[C@H]1C ZINC000699825692 966121358 /nfs/dbraw/zinc/12/13/58/966121358.db2.gz VENVAQGXBORLSM-OCCSQVGLSA-N 1 0 247.338 2.376 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C1(CC)CC1 ZINC001165970906 966222626 /nfs/dbraw/zinc/22/26/26/966222626.db2.gz RAZOQQCHWKDRGJ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCC(C)(C)C1 ZINC001166191450 966252077 /nfs/dbraw/zinc/25/20/77/966252077.db2.gz GEUAKDSRQDWWDF-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)COc1ccccc1CN1CC[C@@H]([NH3+])C1 ZINC001236167776 966280693 /nfs/dbraw/zinc/28/06/93/966280693.db2.gz DOOWVHILMDSMGA-CQSZACIVSA-N 1 0 246.354 2.175 20 30 BEEDRO CN(Cc1ccc(C#N)cc1)c1cccc(N)[nH+]1 ZINC001166538149 966293422 /nfs/dbraw/zinc/29/34/22/966293422.db2.gz SXVKOKSIWBPSOA-UHFFFAOYSA-N 1 0 238.294 2.172 20 30 BEEDRO C=CCCCCCCN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236286222 966339446 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ZINC001167006769 966520117 /nfs/dbraw/zinc/52/01/17/966520117.db2.gz QBBJEEDNAVIQOB-LBPRGKRZSA-N 1 0 239.322 2.423 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)CC ZINC001484997918 966529869 /nfs/dbraw/zinc/52/98/69/966529869.db2.gz WYOBSUSCSRKGET-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]CC1CC(NC(=O)/C(C)=C/C)C1 ZINC001485091098 966540606 /nfs/dbraw/zinc/54/06/06/966540606.db2.gz NSKVPJPJEOMIPW-VZUCSPMQSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)CC)C1 ZINC001485515410 966609853 /nfs/dbraw/zinc/60/98/53/966609853.db2.gz CLAKIDNTMOORHB-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO CC#CCCCC(=O)N[C@@H](C)CCC[NH2+]CC ZINC001485735422 966632060 /nfs/dbraw/zinc/63/20/60/966632060.db2.gz GTCMUVBBYLGYBO-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO C#CCSCC[NH2+]CC1(C(C)C)CC1 ZINC000687536682 966639824 /nfs/dbraw/zinc/63/98/24/966639824.db2.gz GHNFFSVNGWOIBQ-UHFFFAOYSA-N 1 0 211.374 2.379 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C(C)=C\c1ccccc1 ZINC001203536383 966671111 /nfs/dbraw/zinc/67/11/11/966671111.db2.gz QLGCQOROTPAFNJ-SYCZXOQXSA-N 1 0 243.350 2.454 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C/C(C)=C\c1ccccc1 ZINC001203536382 966674253 /nfs/dbraw/zinc/67/42/53/966674253.db2.gz QLGCQOROTPAFNJ-QBOMHBFWSA-N 1 0 243.350 2.454 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203629165 966716422 /nfs/dbraw/zinc/71/64/22/966716422.db2.gz RMKDNTILZMQZJC-GFCCVEGCSA-N 1 0 245.322 2.246 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)/C=C/C(C)(C)C ZINC001124911935 966717553 /nfs/dbraw/zinc/71/75/53/966717553.db2.gz FWMFPRZRXHGREI-CMDGGOBGSA-N 1 0 238.375 2.261 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)CC[C@H]1O ZINC001203756948 966770473 /nfs/dbraw/zinc/77/04/73/966770473.db2.gz FTAFYYIZSFDTRG-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)CC[C@H]1O ZINC001203756949 966774341 /nfs/dbraw/zinc/77/43/41/966774341.db2.gz FTAFYYIZSFDTRG-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(C)c(OC)cc1C ZINC001203760065 966775830 /nfs/dbraw/zinc/77/58/30/966775830.db2.gz KTHLPZNJCNCPHJ-UHFFFAOYSA-N 1 0 217.312 2.377 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1 ZINC001203900036 966815945 /nfs/dbraw/zinc/81/59/45/966815945.db2.gz NPAAIIRGPJZOKE-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)C1(C)CC1 ZINC001127833537 966822732 /nfs/dbraw/zinc/82/27/32/966822732.db2.gz FHSQBRLWTSDSNN-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCCCCCCOC(=O)N[C@@H](CC)C[NH3+] ZINC001239322100 966850327 /nfs/dbraw/zinc/85/03/27/966850327.db2.gz VLLBSAIWSMACBV-NSHDSACASA-N 1 0 230.352 2.420 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001127928233 966864435 /nfs/dbraw/zinc/86/44/35/966864435.db2.gz HAOIQCKYEHZRMK-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO CC(C)[C@H]1CCCCC[N@@H+]1C[C@H](O)CC#N ZINC001168581689 966919460 /nfs/dbraw/zinc/91/94/60/966919460.db2.gz XDNYYXWEZMMKLP-CHWSQXEVSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168582205 966920211 /nfs/dbraw/zinc/92/02/11/966920211.db2.gz CPDQZROGAVYQPR-DZGCQCFKSA-N 1 0 245.322 2.138 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)C/C=C(/C)C=C ZINC001492375639 1169899205 /nfs/dbraw/zinc/89/92/05/1169899205.db2.gz GVMDTZOKMBWQSW-JYRVWZFOSA-N 1 0 236.359 2.133 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001204368783 966979698 /nfs/dbraw/zinc/97/96/98/966979698.db2.gz XYVCOBLQKJZQBF-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)CC[C@H]1O ZINC001204366475 966980551 /nfs/dbraw/zinc/98/05/51/966980551.db2.gz JACKMRGZFBMLAQ-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001204372288 966983610 /nfs/dbraw/zinc/98/36/10/966983610.db2.gz ANQVCNWZVGRJIF-ZSOGYDGISA-N 1 0 230.286 2.206 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCC(C)=C(C)C1 ZINC001128030089 967026737 /nfs/dbraw/zinc/02/67/37/967026737.db2.gz HYJLXCRWEGFJJP-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356362756 967102075 /nfs/dbraw/zinc/10/20/75/967102075.db2.gz INMNTGZHFXYRSP-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2ncncc2C#N)cc1 ZINC001204613002 967104436 /nfs/dbraw/zinc/10/44/36/967104436.db2.gz CCFCDLMUYIJCRH-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc2c1OCC2 ZINC000693132408 967110648 /nfs/dbraw/zinc/11/06/48/967110648.db2.gz NXOSQDRFNTXCNH-UHFFFAOYSA-N 1 0 247.338 2.304 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCCCC(C)(C)C ZINC001128044605 967118233 /nfs/dbraw/zinc/11/82/33/967118233.db2.gz VXRRXYAOYKXQMW-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)c(C)n1 ZINC001249909258 967147115 /nfs/dbraw/zinc/14/71/15/967147115.db2.gz KJEXTUSAKKKTCG-UHFFFAOYSA-N 1 0 206.289 2.016 20 30 BEEDRO CCCCCCCCCN1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001204958013 967254390 /nfs/dbraw/zinc/25/43/90/967254390.db2.gz UYHZLLNKXMCBNA-KBPBESRZSA-N 1 0 242.407 2.131 20 30 BEEDRO CCCCCCCCCN1C[C@H]([NH3+])C[C@H](O)C1 ZINC001204958018 967256576 /nfs/dbraw/zinc/25/65/76/967256576.db2.gz UYHZLLNKXMCBNA-KGLIPLIRSA-N 1 0 242.407 2.131 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnc(OCC)c2)C1 ZINC001250014734 967274038 /nfs/dbraw/zinc/27/40/38/967274038.db2.gz MZLCPHARDPGFPS-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CCCF ZINC001485910211 967310192 /nfs/dbraw/zinc/31/01/92/967310192.db2.gz AWTQQFZAXHUJOQ-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001485908756 967311763 /nfs/dbraw/zinc/31/17/63/967311763.db2.gz AULHPAOEJCIREI-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C[NH2+]Cc1cccc(CCCC#N)c1F ZINC001250060734 967325002 /nfs/dbraw/zinc/32/50/02/967325002.db2.gz VPCSKUWDMQSQAG-UHFFFAOYSA-N 1 0 206.264 2.391 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(C#N)c(F)c1 ZINC001205068731 967325040 /nfs/dbraw/zinc/32/50/40/967325040.db2.gz NMAKXYFNAXLTCY-GWCFXTLKSA-N 1 0 247.317 2.009 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(F)cc1C#N ZINC001205076853 967328875 /nfs/dbraw/zinc/32/88/75/967328875.db2.gz XSSYKNXZIXAWLF-HZMBPMFUSA-N 1 0 247.317 2.009 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C(=O)C(C)C)C(C)C ZINC001486362909 967376322 /nfs/dbraw/zinc/37/63/22/967376322.db2.gz LRFGCYMIWNLCCS-UHFFFAOYSA-N 1 0 240.391 2.387 20 30 BEEDRO C=CCC[NH2+]C1CC(N(C)C(=O)c2ccco2)C1 ZINC001486453520 967391602 /nfs/dbraw/zinc/39/16/02/967391602.db2.gz HUOBEYRRSBGYRN-UHFFFAOYSA-N 1 0 248.326 2.048 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(C#N)ccc1Cl ZINC001205182923 967417337 /nfs/dbraw/zinc/41/73/37/967417337.db2.gz RINPQESNAUTQCK-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]CC(C)C ZINC001128200711 967424705 /nfs/dbraw/zinc/42/47/05/967424705.db2.gz WIWUMTKOHZSLDR-UHFFFAOYSA-N 1 0 246.782 2.127 20 30 BEEDRO COc1cccc(CC[NH+]2CCCC2)c1C#N ZINC001250166757 967461541 /nfs/dbraw/zinc/46/15/41/967461541.db2.gz RKHIORAIHZAFNQ-UHFFFAOYSA-N 1 0 230.311 2.205 20 30 BEEDRO N#CCOc1ccccc1CC[NH+]1CCCC1 ZINC001250166182 967463762 /nfs/dbraw/zinc/46/37/62/967463762.db2.gz IRYNDUJXNTYKOK-UHFFFAOYSA-N 1 0 230.311 2.227 20 30 BEEDRO CC#Cc1cncc(CC[NH+]2CCCC2)c1 ZINC001250166940 967465928 /nfs/dbraw/zinc/46/59/28/967465928.db2.gz WERCAFAYEFLOGA-UHFFFAOYSA-N 1 0 214.312 2.091 20 30 BEEDRO C[C@]1([NH3+])CCCN(Cc2ccc(C#N)s2)CC1 ZINC001205280856 967472018 /nfs/dbraw/zinc/47/20/18/967472018.db2.gz KIYHGNIWIAGXRJ-ZDUSSCGKSA-N 1 0 249.383 2.323 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CC=C(C)C ZINC001128409229 967544871 /nfs/dbraw/zinc/54/48/71/967544871.db2.gz YKYWPROATZQZCW-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@](C)(C=C)CC ZINC001273002754 967612914 /nfs/dbraw/zinc/61/29/14/967612914.db2.gz XZZGUHGNVUWMSL-JSGCOSHPSA-N 1 0 238.375 2.259 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)CC1CCCC1 ZINC001205526916 967662890 /nfs/dbraw/zinc/66/28/90/967662890.db2.gz MHWYXUZCSRNZSE-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C[NH+]1CCC(OCc2ccccc2C#N)CC1 ZINC001205579129 967704589 /nfs/dbraw/zinc/70/45/89/967704589.db2.gz HVNCSIMRFYAAFA-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO C=C(C)C[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168750415 967765363 /nfs/dbraw/zinc/76/53/63/967765363.db2.gz IBWXWHFOJQWLIO-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)C[C@H](C)O ZINC000695780852 967806004 /nfs/dbraw/zinc/80/60/04/967806004.db2.gz VWVVDWUDTCXERP-TUAOUCFPSA-N 1 0 226.364 2.311 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)CC[C@@H]1CN ZINC001205803502 967829606 /nfs/dbraw/zinc/82/96/06/967829606.db2.gz HGTGPRUTJMDKFQ-CHWSQXEVSA-N 1 0 210.365 2.402 20 30 BEEDRO C#Cc1cccc(CN2C[C@H](C)CC[C@H]2C[NH3+])c1 ZINC001205828773 967841528 /nfs/dbraw/zinc/84/15/28/967841528.db2.gz MYUDZGPUAUUYBS-CJNGLKHVSA-N 1 0 242.366 2.227 20 30 BEEDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cccc(C#N)n1 ZINC001162456325 967842854 /nfs/dbraw/zinc/84/28/54/967842854.db2.gz HSQZOHBRPBISRJ-NEPJUHHUSA-N 1 0 244.342 2.001 20 30 BEEDRO C=CCCCC(=O)NC1C[NH+](C[C@@H](C)CC)C1 ZINC001494445856 968020154 /nfs/dbraw/zinc/02/01/54/968020154.db2.gz JAGYQEQOLXWBJV-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO COc1ccc(N[C@H](C)C[NH+](C)C)c(CC#N)c1 ZINC001163782899 968120243 /nfs/dbraw/zinc/12/02/43/968120243.db2.gz UCOSUBUXUANSHM-LLVKDONJSA-N 1 0 247.342 2.123 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1COC[C@H]1OC ZINC001206204464 968135413 /nfs/dbraw/zinc/13/54/13/968135413.db2.gz JVXYPBHVVIGFNY-FRRDWIJNSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]CC)C1 ZINC001278585753 968157705 /nfs/dbraw/zinc/15/77/05/968157705.db2.gz NXDUOCLESJBOCM-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C[NH+](C)CCO[C@H](CC#N)c1ccccc1 ZINC001206278753 968194078 /nfs/dbraw/zinc/19/40/78/968194078.db2.gz SEIZTACPAYXLPH-CYBMUJFWSA-N 1 0 218.300 2.220 20 30 BEEDRO COc1cccc([C@H](O)C[NH2+]CCCCC#N)c1 ZINC001250729530 968199910 /nfs/dbraw/zinc/19/99/10/968199910.db2.gz GWWCYIVZSDXNCZ-CQSZACIVSA-N 1 0 248.326 2.012 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1nc(CO)cs1 ZINC000723176973 968202845 /nfs/dbraw/zinc/20/28/45/968202845.db2.gz QNGHCGJUYCOFED-JTQLQIEISA-N 1 0 240.372 2.470 20 30 BEEDRO COc1nscc1CN(C)[C@H](C)CCC#N ZINC000723214263 968221964 /nfs/dbraw/zinc/22/19/64/968221964.db2.gz HMOVFORAOSCRHZ-SECBINFHSA-N 1 0 239.344 2.276 20 30 BEEDRO C[Si](C)(C)C#Cc1ccc(NOCC[NH3+])cc1 ZINC001164429615 968231775 /nfs/dbraw/zinc/23/17/75/968231775.db2.gz MZYCETBSUZTIED-UHFFFAOYSA-N 1 0 248.402 2.218 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@](F)(CN)C1 ZINC001206337749 968235176 /nfs/dbraw/zinc/23/51/76/968235176.db2.gz WIDGYPCCNDIQKL-LBPRGKRZSA-N 1 0 214.328 2.106 20 30 BEEDRO CCC(O)(CC)C(C)(C)[NH2+]CC1(C#N)CC1 ZINC001119262812 968296875 /nfs/dbraw/zinc/29/68/75/968296875.db2.gz CTFKGCAZBPYHFT-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO COc1cc(Nc2cc[nH+]c(N)c2)ccc1C#N ZINC001206561501 968384713 /nfs/dbraw/zinc/38/47/13/968384713.db2.gz ILPUAWHLIMAODW-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001251991582 968427515 /nfs/dbraw/zinc/42/75/15/968427515.db2.gz XJEOVXGNRWYWLK-UKRRQHHQSA-N 1 0 244.338 2.346 20 30 BEEDRO COC1CC(C[NH2+]CCc2ccc(C#N)cc2)C1 ZINC001206643947 968427872 /nfs/dbraw/zinc/42/78/72/968427872.db2.gz AUQMWTGKONSPHC-UHFFFAOYSA-N 1 0 244.338 2.115 20 30 BEEDRO C=C(C)COC[C@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001206736067 968448068 /nfs/dbraw/zinc/44/80/68/968448068.db2.gz LULLBBSBJSWHLP-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC001168766146 968494916 /nfs/dbraw/zinc/49/49/16/968494916.db2.gz QNJLBQLBSJPJSE-BLYZHGLHSA-N 1 0 236.359 2.019 20 30 BEEDRO Cc1ccnc(C[NH+]2CCC(S)CC2)c1 ZINC001206853545 968499644 /nfs/dbraw/zinc/49/96/44/968499644.db2.gz ZJVXIAWRUSOUAI-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001206909247 968514291 /nfs/dbraw/zinc/51/42/91/968514291.db2.gz ZZRYENDYITWFGL-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](C)CO ZINC001252120532 968606977 /nfs/dbraw/zinc/60/69/77/968606977.db2.gz YDGSOYRSKDBXSH-QWHCGFSZSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1 ZINC001252135237 968608922 /nfs/dbraw/zinc/60/89/22/968608922.db2.gz BBLHBSRRVYXOJA-MELADBBJSA-N 1 0 243.391 2.211 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C1CN(C)C1 ZINC001252137541 968609025 /nfs/dbraw/zinc/60/90/25/968609025.db2.gz YNNSSPYNFSKNJW-AWEZNQCLSA-N 1 0 242.407 2.002 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH+]1CC(CO)C1 ZINC001252130352 968609575 /nfs/dbraw/zinc/60/95/75/968609575.db2.gz ORGCMAIPYWUJBJ-AWEZNQCLSA-N 1 0 243.391 2.022 20 30 BEEDRO CCn1ccnc1CN1CCC[C@H](C#N)CC1 ZINC001207146428 968657379 /nfs/dbraw/zinc/65/73/79/968657379.db2.gz QRKBXLFVXRKAGK-LBPRGKRZSA-N 1 0 232.331 2.029 20 30 BEEDRO CCn1ccnc1CN1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001207146240 968657518 /nfs/dbraw/zinc/65/75/18/968657518.db2.gz KVDLLGIJHOAFJN-XYYAHUGASA-N 1 0 244.342 2.170 20 30 BEEDRO CC(C)n1nccc1C[NH+]1CCC(S)CC1 ZINC001207174118 968680327 /nfs/dbraw/zinc/68/03/27/968680327.db2.gz ZTTUAKQEJAMXJS-UHFFFAOYSA-N 1 0 239.388 2.358 20 30 BEEDRO C=CCN(CC[NH+]1CCC1)C(=O)OC(C)(C)C ZINC001207197814 968683790 /nfs/dbraw/zinc/68/37/90/968683790.db2.gz OMCFUKHRVVSAJX-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=C(C)c1ncnc2sc3c(c21)CC[NH2+]C3 ZINC001240832469 968725267 /nfs/dbraw/zinc/72/52/67/968725267.db2.gz VDRDQDMGPZEMGF-UHFFFAOYSA-N 1 0 231.324 2.370 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCN(C(=O)C(C)C)C1 ZINC001207342023 968729091 /nfs/dbraw/zinc/72/90/91/968729091.db2.gz ATAVXWYMBKORIV-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC[C@H](O)C[NH+]1CCCCCCCC1 ZINC001252473072 968732757 /nfs/dbraw/zinc/73/27/57/968732757.db2.gz GFGSTQWSTHJGJY-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO CC1(C)C[C@H](C[N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC001207358142 968736552 /nfs/dbraw/zinc/73/65/52/968736552.db2.gz CFZDWBHUGFMPKS-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001252482700 968739649 /nfs/dbraw/zinc/73/96/49/968739649.db2.gz NSLWUUXLLDONEB-HIFRSBDPSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C(C)c1ccn2cnc(C3C[NH2+]C3)c2c1 ZINC001240835128 968741059 /nfs/dbraw/zinc/74/10/59/968741059.db2.gz RBRURONZCRKYLQ-UHFFFAOYSA-N 1 0 213.284 2.054 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](C)CCCC(C)C ZINC001252487234 968746158 /nfs/dbraw/zinc/74/61/58/968746158.db2.gz PLEKHGQKUAJYIV-KBPBESRZSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C)C1CCCCC1 ZINC001252488504 968746925 /nfs/dbraw/zinc/74/69/25/968746925.db2.gz OKYSNCAKAWJBMY-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C=C)c1ccccc1 ZINC001252498409 968752753 /nfs/dbraw/zinc/75/27/53/968752753.db2.gz MUVKVAHACUOZDQ-LSDHHAIUSA-N 1 0 247.338 2.067 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H](O)COCCCC ZINC001252516721 968756489 /nfs/dbraw/zinc/75/64/89/968756489.db2.gz QQMJZWQQOHFHFN-CQSZACIVSA-N 1 0 243.391 2.452 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2c(ccn2C)c1 ZINC001252540768 968771097 /nfs/dbraw/zinc/77/10/97/968771097.db2.gz AHONNCBDLXEGJM-OAHLLOKOSA-N 1 0 244.338 2.205 20 30 BEEDRO COc1ccccc1CCN1CC[C@](C)(C#N)C1 ZINC001207459855 968778754 /nfs/dbraw/zinc/77/87/54/968778754.db2.gz COGZJUZVSKQEGK-OAHLLOKOSA-N 1 0 244.338 2.473 20 30 BEEDRO C=C[C@@](C)(O)CNc1cc(C)[nH+]c(OCC)c1 ZINC001252542686 968778826 /nfs/dbraw/zinc/77/88/26/968778826.db2.gz ISOACDOQUYJSSI-CYBMUJFWSA-N 1 0 236.315 2.138 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1CC=CC1 ZINC001085526925 968780985 /nfs/dbraw/zinc/78/09/85/968780985.db2.gz NPJRNTABASGUNV-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@](C)(F)CC1 ZINC001252548247 968788073 /nfs/dbraw/zinc/78/80/73/968788073.db2.gz PBQCVUKWHPCZFT-NEPJUHHUSA-N 1 0 215.312 2.138 20 30 BEEDRO C=C[C@](C)(O)CNc1c[nH+]ccc1N1CCCC1 ZINC001252548012 968788329 /nfs/dbraw/zinc/78/83/29/968788329.db2.gz OGKSCIRYQLXPGI-AWEZNQCLSA-N 1 0 247.342 2.031 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](CCC#N)C1CCCC1 ZINC001252549694 968788333 /nfs/dbraw/zinc/78/83/33/968788333.db2.gz HATRZAFOKJGGMV-ZDUSSCGKSA-N 1 0 222.332 2.082 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCOC1 ZINC001207467791 968789796 /nfs/dbraw/zinc/78/97/96/968789796.db2.gz RPUGJHRFWDVABI-SYQHCUMBSA-N 1 0 234.343 2.180 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCC(=O)c1ccccc1 ZINC001252555631 968797422 /nfs/dbraw/zinc/79/74/22/968797422.db2.gz ZFTIQEPVKWMPJO-OAHLLOKOSA-N 1 0 247.338 2.128 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CC/C=C/c1cccnc1 ZINC001252556360 968800212 /nfs/dbraw/zinc/80/02/12/968800212.db2.gz CQMNLNIVGZOQMA-SBJJXXPASA-N 1 0 246.354 2.354 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC001252569286 968818041 /nfs/dbraw/zinc/81/80/41/968818041.db2.gz RHOHRYXRMUETIT-AWEZNQCLSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC001252568035 968818486 /nfs/dbraw/zinc/81/84/86/968818486.db2.gz HGIMWQUUQYZXHV-CQSZACIVSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1cccs1 ZINC001252567641 968818661 /nfs/dbraw/zinc/81/86/61/968818661.db2.gz BPWZEEWQAFIOLJ-ONGXEEELSA-N 1 0 211.330 2.336 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC1(F)CCCCC1 ZINC001252569412 968820074 /nfs/dbraw/zinc/82/00/74/968820074.db2.gz RQCPHJNATZXUQY-LLVKDONJSA-N 1 0 215.312 2.185 20 30 BEEDRO C=C[C@](C)(O)CNc1ccc2c(c1)C[N@H+](C)CC2 ZINC001252570231 968820575 /nfs/dbraw/zinc/82/05/75/968820575.db2.gz YVKZDFUDQWCTTH-HNNXBMFYSA-N 1 0 246.354 2.023 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001207569577 968821201 /nfs/dbraw/zinc/82/12/01/968821201.db2.gz IWTSBZCIASIKCK-BWODNOAJSA-N 1 0 236.359 2.109 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829180372 968821834 /nfs/dbraw/zinc/82/18/34/968821834.db2.gz SYZNORDUJJNJRH-RYUDHWBXSA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1F ZINC001252572931 968822424 /nfs/dbraw/zinc/82/24/24/968822424.db2.gz WMCXHIYHKOOWHT-ZWNOBZJWSA-N 1 0 223.291 2.413 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000829179999 968822595 /nfs/dbraw/zinc/82/25/95/968822595.db2.gz QPBDPGNRTLZUDD-OLZOCXBDSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(C)s1 ZINC001252571973 968822587 /nfs/dbraw/zinc/82/25/87/968822587.db2.gz LXUBJDZLZFLDIW-GFCCVEGCSA-N 1 0 225.357 2.126 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(C)s1 ZINC001252571974 968822625 /nfs/dbraw/zinc/82/26/25/968822625.db2.gz LXUBJDZLZFLDIW-LBPRGKRZSA-N 1 0 225.357 2.126 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2ccccc21 ZINC001252572871 968823200 /nfs/dbraw/zinc/82/32/00/968823200.db2.gz VTNQSIBXKOXRFP-UONOGXRCSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCc1cccc(OC)c1 ZINC001252573075 968823319 /nfs/dbraw/zinc/82/33/19/968823319.db2.gz YOSXNVABKNLNOO-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001252572567 968823339 /nfs/dbraw/zinc/82/33/39/968823339.db2.gz RTMVJWBBOAKKEK-CQSZACIVSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001252575108 968825628 /nfs/dbraw/zinc/82/56/28/968825628.db2.gz VDSHYMNESDFVPW-IHXHZNKUSA-N 1 0 235.371 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1cccnc1)C(C)C ZINC001252577007 968827463 /nfs/dbraw/zinc/82/74/63/968827463.db2.gz RTHUHWFERNWJLC-KBPBESRZSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1CC(c2ccccc2)C1 ZINC001252576811 968828740 /nfs/dbraw/zinc/82/87/40/968828740.db2.gz ORVCPJACVDGMMW-YMAMQOFZSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(F)c(C)c1F ZINC001252577504 968830092 /nfs/dbraw/zinc/83/00/92/968830092.db2.gz KDKXUSFTYJMPKH-ZDUSSCGKSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC001252578072 968830518 /nfs/dbraw/zinc/83/05/18/968830518.db2.gz BIJAQVZORCKMJJ-CQSZACIVSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccccc1)C(C)(C)O ZINC001252578076 968831205 /nfs/dbraw/zinc/83/12/05/968831205.db2.gz BIMYRVZFCZRJEQ-ZFWWWQNUSA-N 1 0 249.354 2.025 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)c1cccc(OC)c1 ZINC001252580785 968832737 /nfs/dbraw/zinc/83/27/37/968832737.db2.gz UAHOAYKIYDTSDO-HNNXBMFYSA-N 1 0 249.354 2.457 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252580399 968833010 /nfs/dbraw/zinc/83/30/10/968833010.db2.gz BZHBCECQLCYJQB-AWEZNQCLSA-N 1 0 235.327 2.036 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1c(F)cccc1F ZINC001252582855 968835675 /nfs/dbraw/zinc/83/56/75/968835675.db2.gz XUCSHQYUBVJNOC-CYBMUJFWSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@H](C)c1cccc(OC)c1 ZINC001252584512 968836625 /nfs/dbraw/zinc/83/66/25/968836625.db2.gz AWFAIERHGNZQIQ-WFASDCNBSA-N 1 0 249.354 2.325 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC001252584778 968836891 /nfs/dbraw/zinc/83/68/91/968836891.db2.gz FRHGHEATBMYMJL-SNVBAGLBSA-N 1 0 249.232 2.325 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2ccc(F)cc2C1 ZINC001252584065 968838434 /nfs/dbraw/zinc/83/84/34/968838434.db2.gz XJDGESBNZRBYOT-HUUCEWRRSA-N 1 0 249.329 2.210 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)CC1CC1 ZINC001252583463 968838697 /nfs/dbraw/zinc/83/86/97/968838697.db2.gz LJHJHOXSKGTRET-ZDUSSCGKSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)CC1CCOCC1 ZINC001252583239 968838885 /nfs/dbraw/zinc/83/88/85/968838885.db2.gz GLROGISSPJYMIZ-CQSZACIVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccccc1OC ZINC001252587943 968842871 /nfs/dbraw/zinc/84/28/71/968842871.db2.gz YPGYQVPVXBQCST-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO N#C[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628456 968843624 /nfs/dbraw/zinc/84/36/24/968843624.db2.gz HQSBWVMQYBCFBV-RVMXOQNASA-N 1 0 202.301 2.044 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccnc(Cl)c1 ZINC001252589207 968846150 /nfs/dbraw/zinc/84/61/50/968846150.db2.gz KWMFVHALJMBJKZ-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)CNc1c(C)[nH+]c2ccccn21 ZINC001252591397 968848789 /nfs/dbraw/zinc/84/87/89/968848789.db2.gz RUGPZHVQVCKVOV-GFCCVEGCSA-N 1 0 245.326 2.382 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](C)(F)[C@@H](F)C1 ZINC001252593013 968850819 /nfs/dbraw/zinc/85/08/19/968850819.db2.gz BMRWITSYSLBGTH-SDDRHHMPSA-N 1 0 233.302 2.086 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001252595373 968853660 /nfs/dbraw/zinc/85/36/60/968853660.db2.gz HCLUSYCYYGIVBV-IHRRRGAJSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)OC ZINC001252600027 968855382 /nfs/dbraw/zinc/85/53/82/968855382.db2.gz UOSGWQPJFZJNEV-QWHCGFSZSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]([NH2+]CCCC)C1 ZINC001207656701 968855844 /nfs/dbraw/zinc/85/58/44/968855844.db2.gz LQDIWZIIKBZHGN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](CC1CC1)C1CC1 ZINC001252602999 968860032 /nfs/dbraw/zinc/86/00/32/968860032.db2.gz ZDKCNVZTEGJJRS-ZDUSSCGKSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)CCC)C1 ZINC001207718532 968868545 /nfs/dbraw/zinc/86/85/45/968868545.db2.gz ROTBBBGOZZTXSJ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001252612195 968868546 /nfs/dbraw/zinc/86/85/46/968868546.db2.gz KDJLTQFECNZOFV-TUAOUCFPSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)CCC)C1 ZINC001207718535 968869044 /nfs/dbraw/zinc/86/90/44/968869044.db2.gz ROTBBBGOZZTXSJ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCOc1ccccc1 ZINC001252616148 968874511 /nfs/dbraw/zinc/87/45/11/968874511.db2.gz KRTOLBZAUSHLMM-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(Cl)n1 ZINC001252615820 968875777 /nfs/dbraw/zinc/87/57/77/968875777.db2.gz GPAKJODOMMKNBO-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCC(=O)c1ccccc1 ZINC001252618330 968877860 /nfs/dbraw/zinc/87/78/60/968877860.db2.gz RZUZRYXOTLMWJA-CQSZACIVSA-N 1 0 247.338 2.176 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(C)Cc2ccccc2C1 ZINC001252620319 968880861 /nfs/dbraw/zinc/88/08/61/968880861.db2.gz UFFGMWGOXKBJJS-HNNXBMFYSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCCCCCCO ZINC001252620620 968880925 /nfs/dbraw/zinc/88/09/25/968880925.db2.gz XOKMVIZZEXPSGD-AWEZNQCLSA-N 1 0 243.391 2.236 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCOCC1)C1CCC1 ZINC001207774162 968881346 /nfs/dbraw/zinc/88/13/46/968881346.db2.gz KWLATRUYSWHCCQ-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1CCSCC1 ZINC001252624170 968885286 /nfs/dbraw/zinc/88/52/86/968885286.db2.gz YZKZNOMCZHWFCW-GFCCVEGCSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001207801369 968890509 /nfs/dbraw/zinc/89/05/09/968890509.db2.gz QMBMMYVUNJSDMU-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC001207847827 968904801 /nfs/dbraw/zinc/90/48/01/968904801.db2.gz WJRWVQJRQFXWJF-HNNXBMFYSA-N 1 0 242.322 2.095 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1CC(OC)(OC)C1 ZINC001207855161 968906041 /nfs/dbraw/zinc/90/60/41/968906041.db2.gz RIJSMSOCZQQONP-NSHDSACASA-N 1 0 227.348 2.330 20 30 BEEDRO C=C(Cl)C[NH2+]CC1(OC)CCCC1 ZINC000379406420 968918489 /nfs/dbraw/zinc/91/84/89/968918489.db2.gz WGQGOLRMRBPWFY-UHFFFAOYSA-N 1 0 203.713 2.288 20 30 BEEDRO CCC[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001252804406 968991400 /nfs/dbraw/zinc/99/14/00/968991400.db2.gz LEAQOBYBZBLUAT-IYXRBSQSSA-N 1 0 236.359 2.354 20 30 BEEDRO CCC[C@@H](O)CNC(=[NH2+])c1ccc(C)c(C)c1 ZINC001252807331 968993750 /nfs/dbraw/zinc/99/37/50/968993750.db2.gz HGNUFBFGWULFMZ-CYBMUJFWSA-N 1 0 234.343 2.170 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001323228695 1169929601 /nfs/dbraw/zinc/92/96/01/1169929601.db2.gz YEKRDUYBWAOFHE-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO CC(C)(C)C#CC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC001252864938 969037555 /nfs/dbraw/zinc/03/75/55/969037555.db2.gz TXPPBXVSINMMLL-CQSZACIVSA-N 1 0 249.329 2.498 20 30 BEEDRO C[NH+](C)CC1(CN2CCC(C#N)CC2)CCCC1 ZINC001208182438 969112883 /nfs/dbraw/zinc/11/28/83/969112883.db2.gz UDHZICREFKFOHH-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO C[NH+](C)CC1(CN2CC[C@@](C)(C#N)C2)CCCC1 ZINC001208186985 969117067 /nfs/dbraw/zinc/11/70/67/969117067.db2.gz DVHPXLNRGVHPHG-AWEZNQCLSA-N 1 0 249.402 2.344 20 30 BEEDRO C#CCC[NH2+]C[C@@H](O)CCCCCCC=C ZINC001253249552 969122303 /nfs/dbraw/zinc/12/23/03/969122303.db2.gz AQUWYHCCPZRHAY-AWEZNQCLSA-N 1 0 223.360 2.487 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001208245229 969131705 /nfs/dbraw/zinc/13/17/05/969131705.db2.gz CVVMARDTMGEQNE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001208461080 969140955 /nfs/dbraw/zinc/14/09/55/969140955.db2.gz BVYMNNSRKBDRFD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO O/N=C/c1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242025816 969176160 /nfs/dbraw/zinc/17/61/60/969176160.db2.gz AARSUITZXGVUBB-PWCXKOHKSA-N 1 0 228.295 2.402 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1COC2(CCCCC2)O1 ZINC001208639702 969180788 /nfs/dbraw/zinc/18/07/88/969180788.db2.gz DBCFUKQAXWXMKM-LBPRGKRZSA-N 1 0 225.332 2.180 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CCCCC ZINC001253553839 969228541 /nfs/dbraw/zinc/22/85/41/969228541.db2.gz IZOYADHYLVSGSG-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO N#Cc1ccc(CCC[NH+]2CCC2)cc1 ZINC001208860460 969251741 /nfs/dbraw/zinc/25/17/41/969251741.db2.gz LYRVPTNIXHAGFJ-UHFFFAOYSA-N 1 0 200.285 2.197 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001253578468 969253318 /nfs/dbraw/zinc/25/33/18/969253318.db2.gz BQFCNKZRUWKLPY-LSDHHAIUSA-N 1 0 231.339 2.098 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC001253576619 969253940 /nfs/dbraw/zinc/25/39/40/969253940.db2.gz MSUUJHHFOLVMLE-HNNXBMFYSA-N 1 0 231.339 2.413 20 30 BEEDRO COC1(C)C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001208846257 969256492 /nfs/dbraw/zinc/25/64/92/969256492.db2.gz YNVRAILFRGCRLI-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC001253581992 969256463 /nfs/dbraw/zinc/25/64/63/969256463.db2.gz LOJLNCXBVXKXTA-UKRRQHHQSA-N 1 0 247.338 2.379 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C=C)[C@@H]1CCc2ccccc21 ZINC001253580554 969258019 /nfs/dbraw/zinc/25/80/19/969258019.db2.gz YTEQCROCROPPRV-GDBMZVCRSA-N 1 0 241.334 2.156 20 30 BEEDRO N#CCC1C[NH+](CCCc2cccc(C#N)c2)C1 ZINC001208846134 969258309 /nfs/dbraw/zinc/25/83/09/969258309.db2.gz XGGQIKVLVBSMDY-UHFFFAOYSA-N 1 0 239.322 2.336 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC001253581994 969258845 /nfs/dbraw/zinc/25/88/45/969258845.db2.gz LOJLNCXBVXKXTA-ZFWWWQNUSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H](Cc2ccccc2)C1 ZINC001253582974 969259929 /nfs/dbraw/zinc/25/99/29/969259929.db2.gz WIZREGXYASJVEB-HOTGVXAUSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCc2cc(Cl)ccc2C1 ZINC001253584429 969261328 /nfs/dbraw/zinc/26/13/28/969261328.db2.gz MVRUBUFGCGRITA-ZDUSSCGKSA-N 1 0 237.730 2.245 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001253582975 969262673 /nfs/dbraw/zinc/26/26/73/969262673.db2.gz WIZREGXYASJVEB-HZPDHXFCSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001253586446 969266694 /nfs/dbraw/zinc/26/66/94/969266694.db2.gz MJLNYXMOFPWZJH-CYBMUJFWSA-N 1 0 231.339 2.327 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001253586858 969271766 /nfs/dbraw/zinc/27/17/66/969271766.db2.gz TXYFAIJFXAQKNJ-KBPBESRZSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(OC)c2)C1 ZINC001253587662 969271893 /nfs/dbraw/zinc/27/18/93/969271893.db2.gz NQFWYDJOUXCJIN-KGLIPLIRSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CC[C@H](c2cccc(OC)c2)C1 ZINC001253587660 969274518 /nfs/dbraw/zinc/27/45/18/969274518.db2.gz NQFWYDJOUXCJIN-KBPBESRZSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001253586901 969274746 /nfs/dbraw/zinc/27/47/46/969274746.db2.gz USDUIWCXNIPWQY-HNNXBMFYSA-N 1 0 248.370 2.121 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001253589826 969276386 /nfs/dbraw/zinc/27/63/86/969276386.db2.gz QSOAKXCSVXTTTP-LSDHHAIUSA-N 1 0 249.329 2.380 20 30 BEEDRO C=C[C@@H](O)CNc1cccc(C[NH+]2CCCC2)c1 ZINC001253589037 969277952 /nfs/dbraw/zinc/27/79/52/969277952.db2.gz KJUDPBURIMSAQS-OAHLLOKOSA-N 1 0 246.354 2.241 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001253589823 969278643 /nfs/dbraw/zinc/27/86/43/969278643.db2.gz QSOAKXCSVXTTTP-GJZGRUSLSA-N 1 0 249.329 2.380 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001253598661 969290912 /nfs/dbraw/zinc/29/09/12/969290912.db2.gz WBWFGKALXDUPPE-ZDUSSCGKSA-N 1 0 219.328 2.248 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC(C)(C)c1ccccc1 ZINC001253598797 969292005 /nfs/dbraw/zinc/29/20/05/969292005.db2.gz YIGAFTVFNCJKHX-CYBMUJFWSA-N 1 0 219.328 2.101 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001253599988 969292714 /nfs/dbraw/zinc/29/27/14/969292714.db2.gz BMZGHZIPLGBXRY-WCBMZHEXSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccccc1C(F)F ZINC001253599908 969292877 /nfs/dbraw/zinc/29/28/77/969292877.db2.gz UJJBFHRXKPOSKR-JTQLQIEISA-N 1 0 227.254 2.261 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCC1CCCCCC1 ZINC001253603263 969298846 /nfs/dbraw/zinc/29/88/46/969298846.db2.gz UALNTDJYKCFMMU-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(Cl)cncc1Cl ZINC001253603654 969298962 /nfs/dbraw/zinc/29/89/62/969298962.db2.gz ZXFNVCXYRVEEOM-ZETCQYMHSA-N 1 0 247.125 2.025 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(F)cc(Cl)cc1F ZINC001253603344 969300451 /nfs/dbraw/zinc/30/04/51/969300451.db2.gz VTOHGKAMCFTUBV-MRVPVSSYSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC001253606068 969301934 /nfs/dbraw/zinc/30/19/34/969301934.db2.gz YVDSXHJQINUAGI-UWVGGRQHSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001253606241 969302959 /nfs/dbraw/zinc/30/29/59/969302959.db2.gz CQPGABKZJIFWMO-NXEZZACHSA-N 1 0 231.286 2.091 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001253605384 969302970 /nfs/dbraw/zinc/30/29/70/969302970.db2.gz RWEKWJOGCXHQSM-HUUCEWRRSA-N 1 0 244.338 2.392 20 30 BEEDRO N#Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001208925775 969308262 /nfs/dbraw/zinc/30/82/62/969308262.db2.gz QYRPZOHJITXUIB-SOUVJXGZSA-N 1 0 244.313 2.391 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1cccc(OC)c1 ZINC001253609930 969310491 /nfs/dbraw/zinc/31/04/91/969310491.db2.gz NEOMCTCNVHDYMM-CYBMUJFWSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC001253610680 969313536 /nfs/dbraw/zinc/31/35/36/969313536.db2.gz VSPRJBYAIXFOGP-LBPRGKRZSA-N 1 0 219.328 2.367 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC001253611470 969313867 /nfs/dbraw/zinc/31/38/67/969313867.db2.gz PYSFPMKHPYLTFC-XQQFMLRXSA-N 1 0 237.730 2.332 20 30 BEEDRO C=CCCC[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001209163089 969356135 /nfs/dbraw/zinc/35/61/35/969356135.db2.gz SSBZFPOXOMYYJY-UHFFFAOYSA-N 1 0 218.300 2.112 20 30 BEEDRO C=CCCC[N@@H+]1CCn2cnc(COCC)c2C1 ZINC001209160843 969360198 /nfs/dbraw/zinc/36/01/98/969360198.db2.gz APCSYNCUAIHRBT-UHFFFAOYSA-N 1 0 249.358 2.201 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@](O)(CF)CC1 ZINC001209157686 969361113 /nfs/dbraw/zinc/36/11/13/969361113.db2.gz ZUAJVPKWNLOWER-GFCCVEGCSA-N 1 0 215.312 2.139 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C(=O)OC)CC[C@H]1C ZINC001209157570 969361733 /nfs/dbraw/zinc/36/17/33/969361733.db2.gz XOOOHIMKNVIRGM-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001209157839 969362090 /nfs/dbraw/zinc/36/20/90/969362090.db2.gz IHYBTTXVSLECKH-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@]12CC(=O)N(C)C2 ZINC001209160990 969362905 /nfs/dbraw/zinc/36/29/05/969362905.db2.gz GCSHAZYSBWAXCO-CQSZACIVSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC[NH+]1CCC(Oc2ncccn2)CC1 ZINC001209160283 969362983 /nfs/dbraw/zinc/36/29/83/969362983.db2.gz NAQPRBQEDUFZBL-UHFFFAOYSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@H](Oc2cnccn2)C1 ZINC001209163672 969364144 /nfs/dbraw/zinc/36/41/44/969364144.db2.gz GVUTUDXENMHHKG-ZDUSSCGKSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001209164170 969364366 /nfs/dbraw/zinc/36/43/66/969364366.db2.gz UFJKQBLLRRDJFR-CYBMUJFWSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H]2C(=O)CCC[C@@H]2C1 ZINC001209165720 969369423 /nfs/dbraw/zinc/36/94/23/969369423.db2.gz URNPXQFMXMSCMU-NEPJUHHUSA-N 1 0 207.317 2.254 20 30 BEEDRO SC1CC[NH+](CCCc2cccnc2)CC1 ZINC001209179823 969372585 /nfs/dbraw/zinc/37/25/85/969372585.db2.gz GLHMSCQJRDMTJV-UHFFFAOYSA-N 1 0 236.384 2.408 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001209201792 969389467 /nfs/dbraw/zinc/38/94/67/969389467.db2.gz SPNVJWJTDZWPRU-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(C#N)CCCC1)C2 ZINC001169099507 969390443 /nfs/dbraw/zinc/39/04/43/969390443.db2.gz UAMUKVXNAJOUIB-XYYAHUGASA-N 1 0 233.359 2.038 20 30 BEEDRO C=CCCCC[N@H+]1CCc2c(cnn2C)C1 ZINC001209207303 969392643 /nfs/dbraw/zinc/39/26/43/969392643.db2.gz ROLKESFACKARQZ-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC1(C#N)CCCCC1)C2 ZINC001169099319 969394454 /nfs/dbraw/zinc/39/44/54/969394454.db2.gz POBVMKGOFAYVQT-ZSOGYDGISA-N 1 0 247.386 2.428 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001253781609 969401879 /nfs/dbraw/zinc/40/18/79/969401879.db2.gz BFRXNEJVUMDXLD-CABCVRRESA-N 1 0 244.338 2.152 20 30 BEEDRO COc1cc(C#N)ccc1Nc1[nH+]ccn1C ZINC001209234043 969414338 /nfs/dbraw/zinc/41/43/38/969414338.db2.gz FWOZEAYDKWGBGH-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C#CCCC[NH+]1CCC(c2noc(CC)n2)CC1 ZINC001209268921 969417911 /nfs/dbraw/zinc/41/79/11/969417911.db2.gz BBRBYMKWIBVWOT-UHFFFAOYSA-N 1 0 247.342 2.225 20 30 BEEDRO C#CCCC[N@@H+]1CCc2nc(C)sc2C1 ZINC001209266458 969419362 /nfs/dbraw/zinc/41/93/62/969419362.db2.gz QBMXMERFXQBGGB-UHFFFAOYSA-N 1 0 220.341 2.223 20 30 BEEDRO C#CCCC[N@@H+](C(C)C)C1CCN(C)CC1 ZINC001209268272 969420491 /nfs/dbraw/zinc/42/04/91/969420491.db2.gz XIYHWYHVRVCUBX-UHFFFAOYSA-N 1 0 222.376 2.204 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@@H]1Cc2ccccc2O1 ZINC001209269640 969421328 /nfs/dbraw/zinc/42/13/28/969421328.db2.gz YLBBJIBMRZROHX-AWEZNQCLSA-N 1 0 229.323 2.335 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@](C)(C(=O)OCC)C1 ZINC001209269348 969421514 /nfs/dbraw/zinc/42/15/14/969421514.db2.gz GPQDYTNLZTWCIW-AWEZNQCLSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209269406 969421571 /nfs/dbraw/zinc/42/15/71/969421571.db2.gz JFFBORSLCCHMII-UHFFFAOYSA-N 1 0 245.322 2.259 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@H]1Cc2ccccc2O1 ZINC001209269643 969422121 /nfs/dbraw/zinc/42/21/21/969422121.db2.gz YLBBJIBMRZROHX-CQSZACIVSA-N 1 0 229.323 2.335 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H](C(=O)OCC)C1 ZINC001209269416 969422465 /nfs/dbraw/zinc/42/24/65/969422465.db2.gz JRNFZPJHGRYDJG-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO CCC[C@@](C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109533 969449407 /nfs/dbraw/zinc/44/94/07/969449407.db2.gz CUAARVHNFKDLRT-CRWXNKLISA-N 1 0 235.375 2.284 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001209428989 969496878 /nfs/dbraw/zinc/49/68/78/969496878.db2.gz QODFUSKOUBXRDF-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCCCCC[N@@H+]1CCn2nccc2C1 ZINC001209433121 969503703 /nfs/dbraw/zinc/50/37/03/969503703.db2.gz QOHQUHFXNIMLFE-UHFFFAOYSA-N 1 0 219.332 2.445 20 30 BEEDRO Cc1cccc(-n2ccc([C@H](C)[NH3+])n2)c1C#N ZINC001169232504 969506241 /nfs/dbraw/zinc/50/62/41/969506241.db2.gz GIJLVYOZQWGKMD-JTQLQIEISA-N 1 0 226.283 2.072 20 30 BEEDRO C=CCCCCCC[N@@H+](C)CC(=O)N(C)C ZINC001209436770 969506303 /nfs/dbraw/zinc/50/63/03/969506303.db2.gz XANNWRJRTKETTN-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC001209436699 969506335 /nfs/dbraw/zinc/50/63/35/969506335.db2.gz WTTQLXVTJZFCGJ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCC(=O)N(C)CC1 ZINC001209435751 969506581 /nfs/dbraw/zinc/50/65/81/969506581.db2.gz ITEDJMJVOUYAIM-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C[C@@H]([NH3+])c1ccn(-c2cccc(CC#N)c2F)n1 ZINC001169232064 969509733 /nfs/dbraw/zinc/50/97/33/969509733.db2.gz ZWHOZURZDXLODW-SECBINFHSA-N 1 0 244.273 2.097 20 30 BEEDRO C=CCCCCCC[N@H+]1CCOC[C@H]1COC ZINC001209440576 969512001 /nfs/dbraw/zinc/51/20/01/969512001.db2.gz LZNWACRDMHCSKD-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](CC)NC(=O)OC(C)(C)C ZINC001209459906 969517815 /nfs/dbraw/zinc/51/78/15/969517815.db2.gz BAKCMWDETSZSFI-NSHDSACASA-N 1 0 242.363 2.408 20 30 BEEDRO CC[NH+]1CCC(NC(C#N)(CC)CC)CC1 ZINC001169241855 969528194 /nfs/dbraw/zinc/52/81/94/969528194.db2.gz QELJQYBXNSEYMC-UHFFFAOYSA-N 1 0 223.364 2.143 20 30 BEEDRO C#CCCCCc1cn(CCCCCC[NH3+])nn1 ZINC001254157723 969529470 /nfs/dbraw/zinc/52/94/70/969529470.db2.gz SSWLRZMWYLEFTO-UHFFFAOYSA-N 1 0 248.374 2.143 20 30 BEEDRO N#CCC1C[NH+](C2CCC(F)(F)CC2)C1 ZINC001254216991 969536369 /nfs/dbraw/zinc/53/63/69/969536369.db2.gz PAJJIVZCRWFGMZ-UHFFFAOYSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)C ZINC001169247808 969537048 /nfs/dbraw/zinc/53/70/48/969537048.db2.gz MCSNZPOAPVFKHQ-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)CCS1 ZINC001169253223 969544961 /nfs/dbraw/zinc/54/49/61/969544961.db2.gz RUMMUHNRZDDEDW-NSHDSACASA-N 1 0 247.367 2.281 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C)[nH]2)C1 ZINC001209574598 969557321 /nfs/dbraw/zinc/55/73/21/969557321.db2.gz RMPZHEHWMPUKKT-GFCCVEGCSA-N 1 0 202.301 2.168 20 30 BEEDRO COc1cc(C[N@@H+]2CCC[C@H](C#N)CC2)ccn1 ZINC001209640443 969570237 /nfs/dbraw/zinc/57/02/37/969570237.db2.gz ALSFCUKYYGANJR-LBPRGKRZSA-N 1 0 245.326 2.216 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCCOC1)C2 ZINC001254378023 969597280 /nfs/dbraw/zinc/59/72/80/969597280.db2.gz QTNOVAUHUZQGGF-OAHLLOKOSA-N 1 0 242.322 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](CC)CCC ZINC001169428175 969642677 /nfs/dbraw/zinc/64/26/77/969642677.db2.gz WSWNFIIVNXMVCY-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO 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N#C[C@@H]1CC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001254636072 969753670 /nfs/dbraw/zinc/75/36/70/969753670.db2.gz HSBPMQYXIJMBKA-ZJUUUORDSA-N 1 0 233.290 2.389 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001254641725 969756116 /nfs/dbraw/zinc/75/61/16/969756116.db2.gz AKNBZMAEYMRJMZ-GJZGRUSLSA-N 1 0 224.307 2.320 20 30 BEEDRO CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254641935 969756786 /nfs/dbraw/zinc/75/67/86/969756786.db2.gz BTIONIKIKRTNTO-TUAOUCFPSA-N 1 0 222.332 2.416 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001254644416 969758824 /nfs/dbraw/zinc/75/88/24/969758824.db2.gz SAFZWDOSCQWMFI-QWHCGFSZSA-N 1 0 241.338 2.395 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)Cc2ccccc2)C1 ZINC001254644003 969759156 /nfs/dbraw/zinc/75/91/56/969759156.db2.gz PFPVRCYNFPMQIB-KGLIPLIRSA-N 1 0 242.322 2.080 20 30 BEEDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254643304 969759237 /nfs/dbraw/zinc/75/92/37/969759237.db2.gz NSEYDRAVLBFWPE-RFGFWPKPSA-N 1 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Cc1cccc2c1[nH+]c(N)n2-c1cncc(C#N)c1 ZINC001210082781 969789620 /nfs/dbraw/zinc/78/96/20/969789620.db2.gz ANVDEBULGDOTEY-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO Cc1ccc2[nH+]c(N)n(-c3cncc(C#N)c3)c2c1 ZINC001210083328 969789643 /nfs/dbraw/zinc/78/96/43/969789643.db2.gz LJNLQLPKSYUWGL-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254833122 969796441 /nfs/dbraw/zinc/79/64/41/969796441.db2.gz VCMKIGDFGBVNIU-CQSZACIVSA-N 1 0 234.387 2.252 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CC3CCN(CC3)C2)CC1 ZINC001254839591 969800554 /nfs/dbraw/zinc/80/05/54/969800554.db2.gz TYOKSXQUCUOGQN-KKUMJFAQSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CCC1([NH2+][C@H]2CC3CCN(CC3)C2)CCCC1 ZINC001254852840 969805116 /nfs/dbraw/zinc/80/51/16/969805116.db2.gz JIVGXCFQDGBXGJ-AWEZNQCLSA-N 1 0 247.386 2.287 20 30 BEEDRO C#CC1([NH2+][C@H]2CC3CCN(CC3)C2)CCCCC1 ZINC001254849264 969805771 /nfs/dbraw/zinc/80/57/71/969805771.db2.gz ANCXVHGPICNIKB-HNNXBMFYSA-N 1 0 246.398 2.396 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@H]1CC2CC[NH+](CC2)C1 ZINC001254849477 969806689 /nfs/dbraw/zinc/80/66/89/969806689.db2.gz BONXJBAFCWPBEQ-LSDHHAIUSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254860040 969810894 /nfs/dbraw/zinc/81/08/94/969810894.db2.gz IVQBHJCEBNIAQU-LSDHHAIUSA-N 1 0 247.386 2.096 20 30 BEEDRO C#C[C@](C)(CC)Nc1[nH+]ccc(N)c1C ZINC001169692630 969813373 /nfs/dbraw/zinc/81/33/73/969813373.db2.gz QCLLGRKPQMXCDA-GFCCVEGCSA-N 1 0 203.289 2.186 20 30 BEEDRO C#C[C@@](C)(CC)Nc1[nH+]ccc(N)c1C ZINC001169692632 969813800 /nfs/dbraw/zinc/81/38/00/969813800.db2.gz QCLLGRKPQMXCDA-LBPRGKRZSA-N 1 0 203.289 2.186 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CCC1 ZINC001254914804 969814890 /nfs/dbraw/zinc/81/48/90/969814890.db2.gz OFVVRHRMMVLZIC-QWRGUYRKSA-N 1 0 232.327 2.028 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254929382 969824133 /nfs/dbraw/zinc/82/41/33/969824133.db2.gz RKKOFAAPIRAHDD-ITGUQSILSA-N 1 0 233.355 2.383 20 30 BEEDRO CC(C)(S)C[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254933975 969828573 /nfs/dbraw/zinc/82/85/73/969828573.db2.gz HDLJXTZYHNGMGD-MYJAWHEDSA-N 1 0 227.373 2.042 20 30 BEEDRO C=CCc1c(Cl)ncnc1-n1ccc(C[NH3+])c1 ZINC001169716627 969829786 /nfs/dbraw/zinc/82/97/86/969829786.db2.gz LOZXDDNRWMWUCJ-UHFFFAOYSA-N 1 0 248.717 2.108 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255027227 969853126 /nfs/dbraw/zinc/85/31/26/969853126.db2.gz MXBOCPPHIQAPEC-CYBMUJFWSA-N 1 0 225.335 2.499 20 30 BEEDRO C=C[C@@H](CO)Nc1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC001169787281 969860403 /nfs/dbraw/zinc/86/04/03/969860403.db2.gz NWJYLFQWPSWCRA-KGLIPLIRSA-N 1 0 246.354 2.112 20 30 BEEDRO Cn1cc[nH+]c1Nc1ccccc1OCC#N ZINC001212595379 969861130 /nfs/dbraw/zinc/86/11/30/969861130.db2.gz QQSYFXFPHUETRO-UHFFFAOYSA-N 1 0 228.255 2.066 20 30 BEEDRO C=CC[C@@H](Nc1ccc([C@H](C)[NH3+])cc1)C(=O)OC ZINC001169842500 969870997 /nfs/dbraw/zinc/87/09/97/969870997.db2.gz YAKFKYARAYUOGQ-GXFFZTMASA-N 1 0 248.326 2.236 20 30 BEEDRO C#Cc1ccc(-c2ncnc3c2C[N@H+](C)CC3)cc1 ZINC001242293618 969883175 /nfs/dbraw/zinc/88/31/75/969883175.db2.gz MEIFTHRYDAQGQG-UHFFFAOYSA-N 1 0 249.317 2.113 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108889874 969909490 /nfs/dbraw/zinc/90/94/90/969909490.db2.gz DMOXMESHKRLMMJ-RDBSUJKOSA-N 1 0 248.370 2.250 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/CC)C2 ZINC001109015452 969922204 /nfs/dbraw/zinc/92/22/04/969922204.db2.gz CIKDMFCTDLTNSJ-UBDFWVFDSA-N 1 0 248.370 2.250 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(F)cc1C#N ZINC001210551796 969936762 /nfs/dbraw/zinc/93/67/62/969936762.db2.gz VFYMCMBQYWLKLG-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO Cc1ccc(Nc2cc[nH+]c(CO)c2)c(C#N)c1 ZINC001210565872 969944913 /nfs/dbraw/zinc/94/49/13/969944913.db2.gz LQIIYTTUXJCMCW-UHFFFAOYSA-N 1 0 239.278 2.498 20 30 BEEDRO CCOC(CC[NH2+][C@@H](CC)CC#N)OCC ZINC001255155814 969953010 /nfs/dbraw/zinc/95/30/10/969953010.db2.gz USMQFSLZRPVXBY-NSHDSACASA-N 1 0 228.336 2.057 20 30 BEEDRO CCCC[N@H+](C)CCCN[C@H](CC)CC#N ZINC001255153239 969959904 /nfs/dbraw/zinc/95/99/04/969959904.db2.gz SGQCOOMSRUZNNW-CYBMUJFWSA-N 1 0 225.380 2.390 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001255155281 969962761 /nfs/dbraw/zinc/96/27/61/969962761.db2.gz OEVYQWNAOAHDRZ-QKGCVVFFSA-N 1 0 248.370 2.352 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001109353572 969963408 /nfs/dbraw/zinc/96/34/08/969963408.db2.gz NWTMSZVOUKEOLS-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@H](CC)CC#N ZINC001255157585 969966010 /nfs/dbraw/zinc/96/60/10/969966010.db2.gz SBXGSARFUFVLJG-WOPDTQHZSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@@H](CC#N)Nc1ccc(C[NH3+])c(F)c1 ZINC001255163156 969974099 /nfs/dbraw/zinc/97/40/99/969974099.db2.gz CLVRMMXGOXZMTQ-JTQLQIEISA-N 1 0 221.279 2.389 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001255173780 969988810 /nfs/dbraw/zinc/98/88/10/969988810.db2.gz DVTNRYFIAOCDDR-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCN1CCC[C@@H]([NH2+][C@H](C)CCCC)C1=O ZINC001255317837 970090215 /nfs/dbraw/zinc/09/02/15/970090215.db2.gz SQDKUPBVHBUURD-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCC[C@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001255318750 970093968 /nfs/dbraw/zinc/09/39/68/970093968.db2.gz BJSAGZFWACXKBH-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO Cc1cccc(N(C)C(C)(C)C[NH3+])c1C#N ZINC001170059181 970108328 /nfs/dbraw/zinc/10/83/28/970108328.db2.gz PCQYUCBMLORYHP-UHFFFAOYSA-N 1 0 217.316 2.040 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)c2ccoc2)CC1 ZINC001112610721 970114906 /nfs/dbraw/zinc/11/49/06/970114906.db2.gz ZXLGVPZPKWKYHD-UHFFFAOYSA-N 1 0 248.326 2.004 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)[C@@H](C)CC)CC1 ZINC001112618038 970122236 /nfs/dbraw/zinc/12/22/36/970122236.db2.gz QGRRNBNQKTZNPO-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC(=O)N1CC[NH+](CCC(=C)C)CC1 ZINC001112687635 970152673 /nfs/dbraw/zinc/15/26/73/970152673.db2.gz KRDNBDRNOKGUQG-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2oc(C)nc2C#N)cc1 ZINC001211129212 970154295 /nfs/dbraw/zinc/15/42/95/970154295.db2.gz PHUJNDUPHCYECF-UHFFFAOYSA-N 1 0 242.282 2.318 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2ncccc2C#N)cc1 ZINC001211127418 970154710 /nfs/dbraw/zinc/15/47/10/970154710.db2.gz HELQCTGBBMVMQN-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2ccc(C#N)nc2)cc1 ZINC001211128139 970154896 /nfs/dbraw/zinc/15/48/96/970154896.db2.gz BUOVGMNZCRAADZ-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO CC[C@@H](C)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157230002 970159478 /nfs/dbraw/zinc/15/94/78/970159478.db2.gz GHZRNUZSGPNBFN-SNVBAGLBSA-N 1 0 244.342 2.199 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@H]1CC[N@@H+](C)C1 ZINC001255439758 970168113 /nfs/dbraw/zinc/16/81/13/970168113.db2.gz WXZKQRVNLLKJBA-HNNXBMFYSA-N 1 0 230.355 2.379 20 30 BEEDRO COC1CCC([NH2+]Cc2ccc(C#N)nc2)CC1 ZINC001255453248 970183947 /nfs/dbraw/zinc/18/39/47/970183947.db2.gz AMVWGGWLXLYEEE-UHFFFAOYSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001112808462 970190137 /nfs/dbraw/zinc/19/01/37/970190137.db2.gz DKZIRVQGKHUNBR-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CCC(OC)CC2)C1 ZINC001255463516 970190450 /nfs/dbraw/zinc/19/04/50/970190450.db2.gz PENQNABLJCGSSF-HSBZDZAISA-N 1 0 221.344 2.289 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(F)c(CC#N)c1 ZINC001211253274 970199235 /nfs/dbraw/zinc/19/92/35/970199235.db2.gz DBVZNVDEOCEDSX-UHFFFAOYSA-N 1 0 230.246 2.369 20 30 BEEDRO C#Cc1cc(Nc2cc[nH+]cc2OC)ccc1F ZINC001211263684 970209613 /nfs/dbraw/zinc/20/96/13/970209613.db2.gz ZBUXDEAWMAQTJS-UHFFFAOYSA-N 1 0 242.253 2.376 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCOC(C)(C)C2)C1 ZINC001255551322 970325009 /nfs/dbraw/zinc/32/50/09/970325009.db2.gz KIMYDYKCRJSTPL-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001170119740 970352195 /nfs/dbraw/zinc/35/21/95/970352195.db2.gz BWJVHSKFLAVXSR-ONGXEEELSA-N 1 0 204.273 2.429 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255614589 970402784 /nfs/dbraw/zinc/40/27/84/970402784.db2.gz BBUIRWIWUUQGBT-ZDUSSCGKSA-N 1 0 237.343 2.064 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]CCCS ZINC001255641985 970416103 /nfs/dbraw/zinc/41/61/03/970416103.db2.gz QXAMNBMSIWFVOL-ZCFIWIBFSA-N 1 0 201.257 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C ZINC001214158458 970443515 /nfs/dbraw/zinc/44/35/15/970443515.db2.gz KYQSDKOGPRJBMZ-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001255680659 970455343 /nfs/dbraw/zinc/45/53/43/970455343.db2.gz FDMCOZCIBBQOBH-LSVZVQIISA-N 1 0 246.398 2.347 20 30 BEEDRO Cn1cc[nH+]c1Nc1cc(C#N)ccc1F ZINC001214590309 970509892 /nfs/dbraw/zinc/50/98/92/970509892.db2.gz GVYYULFVNMQAMK-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCC)C1 ZINC001214745950 970535669 /nfs/dbraw/zinc/53/56/69/970535669.db2.gz RLXYWBWRGXOUCC-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CCO1 ZINC001170193291 970563706 /nfs/dbraw/zinc/56/37/06/970563706.db2.gz QPJFSWAILOABJN-RYUDHWBXSA-N 1 0 234.299 2.198 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CCO1 ZINC001170193292 970565198 /nfs/dbraw/zinc/56/51/98/970565198.db2.gz QPJFSWAILOABJN-VXGBXAGGSA-N 1 0 234.299 2.198 20 30 BEEDRO COc1ccc(Nc2c[nH+]c(C)n2C)cc1C#N ZINC001214998997 970595181 /nfs/dbraw/zinc/59/51/81/970595181.db2.gz TXJBPHUQVSYTGL-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(=O)OCC)C1 ZINC001256038352 970621768 /nfs/dbraw/zinc/62/17/68/970621768.db2.gz OVVANJMHWWCMAT-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO CC(C)C[C@@H](C#N)NC1CC[NH+](C2CC2)CC1 ZINC001256071050 970637499 /nfs/dbraw/zinc/63/74/99/970637499.db2.gz NNEPWGWJJCWRSD-ZDUSSCGKSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[NH+](CC=C)C1CCN(C2CC2)CC1 ZINC001256080376 970648109 /nfs/dbraw/zinc/64/81/09/970648109.db2.gz UJCVDLVHKHNFFZ-UHFFFAOYSA-N 1 0 220.360 2.287 20 30 BEEDRO C[NH+]1CC(CNc2cc(Cl)ccc2CC#N)C1 ZINC001170258235 970649152 /nfs/dbraw/zinc/64/91/52/970649152.db2.gz HIKFBEGLUAQURG-UHFFFAOYSA-N 1 0 249.745 2.380 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256151962 970673938 /nfs/dbraw/zinc/67/39/38/970673938.db2.gz RHVBENVGPYVCHK-NWDGAFQWSA-N 1 0 217.312 2.238 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256151004 970676130 /nfs/dbraw/zinc/67/61/30/970676130.db2.gz LBKZZGNMPKBTKF-LBPRGKRZSA-N 1 0 217.312 2.239 20 30 BEEDRO C[NH+](C)Cc1cccc(NCC(C)(C)S)n1 ZINC001170305048 970692276 /nfs/dbraw/zinc/69/22/76/970692276.db2.gz JNCGFBOONRKFSU-UHFFFAOYSA-N 1 0 239.388 2.264 20 30 BEEDRO CN1CCC([NH2+]CCCCCCS)CC1 ZINC001256201291 970693557 /nfs/dbraw/zinc/69/35/57/970693557.db2.gz CEUXBFYMEJKAEG-UHFFFAOYSA-N 1 0 230.421 2.160 20 30 BEEDRO C[N@H+](Cc1cc(F)cc(C#N)c1)[C@H]1CCCOC1 ZINC000401462698 970697865 /nfs/dbraw/zinc/69/78/65/970697865.db2.gz KCHZKKFUXXPTJQ-AWEZNQCLSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001329037077 1169949751 /nfs/dbraw/zinc/94/97/51/1169949751.db2.gz PLELNUSFEKCZBX-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H](C)CCC(C)C ZINC001256354462 970748983 /nfs/dbraw/zinc/74/89/83/970748983.db2.gz IYXBOFFPVBANRD-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)CCC#N)C1(C)C ZINC001327327386 972548845 /nfs/dbraw/zinc/54/88/45/972548845.db2.gz KDPGXCQBWRVURW-NQBHXWOUSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCCCC[NH+](C)C ZINC001144076773 972551797 /nfs/dbraw/zinc/55/17/97/972551797.db2.gz NEMUVAVGRDJZCU-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)C2(CC2)C1 ZINC001144084918 972562227 /nfs/dbraw/zinc/56/22/27/972562227.db2.gz SDSAJEPJWLSLME-LLVKDONJSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](F)CC2)nc1 ZINC001144153493 972631810 /nfs/dbraw/zinc/63/18/10/972631810.db2.gz ACTNGSOJHHWSCM-GFCCVEGCSA-N 1 0 233.290 2.277 20 30 BEEDRO CC1CC([N@H+](C)Cc2ccc(C#N)cn2)C1 ZINC001144153580 972635252 /nfs/dbraw/zinc/63/52/52/972635252.db2.gz GECHRUBWLDEMMK-UHFFFAOYSA-N 1 0 215.300 2.184 20 30 BEEDRO CN(C)c1ncccc1C=NOC1CCC1 ZINC001327609070 972669944 /nfs/dbraw/zinc/66/99/44/972669944.db2.gz HZXCCBSDAFDJBB-UHFFFAOYSA-N 1 0 219.288 2.051 20 30 BEEDRO C=CC[NH+]1CCC(CNC(=O)C=C2CCC2)CC1 ZINC001222812434 972700140 /nfs/dbraw/zinc/70/01/40/972700140.db2.gz WLOLEKKTTFPJOB-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC001327841758 972756458 /nfs/dbraw/zinc/75/64/58/972756458.db2.gz ZEISUNWEEFVDQB-MNOVXSKESA-N 1 0 249.333 2.346 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(O)cc1C(F)(F)F ZINC001144391547 972794910 /nfs/dbraw/zinc/79/49/10/972794910.db2.gz OWPQKLVEFCHPPY-UHFFFAOYSA-N 1 0 243.228 2.476 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171174771 972800414 /nfs/dbraw/zinc/80/04/14/972800414.db2.gz BZCMLOBXVTUWDT-DOMZBBRYSA-N 1 0 246.354 2.096 20 30 BEEDRO CCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171175056 972801475 /nfs/dbraw/zinc/80/14/75/972801475.db2.gz GYUULXLVVNHPLF-LLVKDONJSA-N 1 0 202.301 2.489 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C/C=C(\C)C=C)C[C@@H]1C ZINC001327908287 972802961 /nfs/dbraw/zinc/80/29/61/972802961.db2.gz YUSMTMJFNHYSEQ-NAICIEFVSA-N 1 0 248.370 2.131 20 30 BEEDRO C=C/C=C/CC(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC001144413653 972805435 /nfs/dbraw/zinc/80/54/35/972805435.db2.gz UIJIORZUHLIEAT-AATRIKPKSA-N 1 0 248.370 2.275 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccno1 ZINC001171177826 972805581 /nfs/dbraw/zinc/80/55/81/972805581.db2.gz AYQYGEOQCUUVAP-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171176336 972808305 /nfs/dbraw/zinc/80/83/05/972808305.db2.gz RJINHJXRDYRHJT-VXGBXAGGSA-N 1 0 232.327 2.114 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171190926 972838275 /nfs/dbraw/zinc/83/82/75/972838275.db2.gz ZGOIDJAQEGOSBH-NWDGAFQWSA-N 1 0 212.296 2.101 20 30 BEEDRO CCC(=O)C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171193541 972844445 /nfs/dbraw/zinc/84/44/45/972844445.db2.gz XLGKGLZTNBAUDS-LLVKDONJSA-N 1 0 230.311 2.058 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2C(C)=O)cc1 ZINC001144580564 972871177 /nfs/dbraw/zinc/87/11/77/972871177.db2.gz FPTCDQCGMTXNRB-HNNXBMFYSA-N 1 0 227.307 2.221 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC001144567284 972873268 /nfs/dbraw/zinc/87/32/68/972873268.db2.gz HENOUQNRMVFGGN-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)cc1 ZINC001144567954 972874674 /nfs/dbraw/zinc/87/46/74/972874674.db2.gz FQGBJNNQIOSMMA-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)cc1 ZINC001144568260 972874947 /nfs/dbraw/zinc/87/49/47/972874947.db2.gz OUFGAUDONKDYLD-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCCC23COC3)cc1 ZINC001144573457 972876860 /nfs/dbraw/zinc/87/68/60/972876860.db2.gz KWJUIZGZTBFASV-UHFFFAOYSA-N 1 0 227.307 2.033 20 30 BEEDRO C#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC001144569396 972877590 /nfs/dbraw/zinc/87/75/90/972877590.db2.gz QYMCUVFKGAZHKC-GASCZTMLSA-N 1 0 239.318 2.364 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC(C#N)C1 ZINC001171200887 972882113 /nfs/dbraw/zinc/88/21/13/972882113.db2.gz DPPPQOOCNLHCOD-QGLTVNCISA-N 1 0 239.322 2.381 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@]1(C)CCOC1 ZINC001171202291 972898928 /nfs/dbraw/zinc/89/89/28/972898928.db2.gz YRNMLEDUMJCFPE-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@H+](CC=C)[C@H](C)C1 ZINC001328238788 972921474 /nfs/dbraw/zinc/92/14/74/972921474.db2.gz FNOVBBKEWFHZFE-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H](C[NH+](C)C)OCc1ccc(C#N)s1 ZINC001223288017 972924799 /nfs/dbraw/zinc/92/47/99/972924799.db2.gz FGOQEKGEIUHZSB-VIFPVBQESA-N 1 0 224.329 2.086 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001246584644 972960914 /nfs/dbraw/zinc/96/09/14/972960914.db2.gz XWIWJDYDCJAWKK-QWHCGFSZSA-N 1 0 241.354 2.222 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)OCc1cc(C#N)ccn1 ZINC001223361761 973025510 /nfs/dbraw/zinc/02/55/10/973025510.db2.gz MZNSNAVFQZEZII-GFCCVEGCSA-N 1 0 247.342 2.200 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229989 973025580 /nfs/dbraw/zinc/02/55/80/973025580.db2.gz ABKXBRVAROEHCA-WFASDCNBSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cn1 ZINC000846903277 973055235 /nfs/dbraw/zinc/05/52/35/973055235.db2.gz WGFJKZFQKGEOGA-GHMZBOCLSA-N 1 0 229.327 2.477 20 30 BEEDRO C[C@H](CCC#N)[NH2+]C1(C2CC2)CCOCC1 ZINC001328620036 973203477 /nfs/dbraw/zinc/20/34/77/973203477.db2.gz PERTUTCZWMVQQO-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCOc1ccccc1COC1CN(C)C1 ZINC001223785869 973273278 /nfs/dbraw/zinc/27/32/78/973273278.db2.gz QBLIUSFPYPUJJF-UHFFFAOYSA-N 1 0 233.311 2.082 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccnn2CCC)C1 ZINC001328743675 973326929 /nfs/dbraw/zinc/32/69/29/973326929.db2.gz OCZCILWILWIYPR-CQSZACIVSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](CC)CC(C)C ZINC001147038653 973378403 /nfs/dbraw/zinc/37/84/03/973378403.db2.gz RNYJULDVMBHBSW-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001328967470 973405157 /nfs/dbraw/zinc/40/51/57/973405157.db2.gz DQYZDQHWGIMAOS-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@H+]1CCC2(CN(C(=O)/C(C)=C/CC)C2)C1 ZINC001147106096 973439095 /nfs/dbraw/zinc/43/90/95/973439095.db2.gz LWOMTEYCNXWVBM-AWNIVKPZSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)C1CCCC1 ZINC001147351062 973530052 /nfs/dbraw/zinc/53/00/52/973530052.db2.gz VUYREENEZUZWHA-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCCCC ZINC001329187634 973549286 /nfs/dbraw/zinc/54/92/86/973549286.db2.gz XORCLQSVEMHKOO-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCCCC ZINC001329187638 973551936 /nfs/dbraw/zinc/55/19/36/973551936.db2.gz XORCLQSVEMHKOO-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCCCCO[C@H]1C[NH+]2CCC1CC2 ZINC001224335082 973560738 /nfs/dbraw/zinc/56/07/38/973560738.db2.gz KXCAYJBOVXYWMO-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCCO[C@H](C)C[N+](C)(C)C ZINC001224334836 973565827 /nfs/dbraw/zinc/56/58/27/973565827.db2.gz GBUGRVNRRZFGPD-GFCCVEGCSA-N 1 0 200.346 2.454 20 30 BEEDRO C=CC[NH2+]CC(C)(C)CN(C)C(=O)CCCC ZINC001329268757 973621978 /nfs/dbraw/zinc/62/19/78/973621978.db2.gz MRTSENCMTGWPRY-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[NH+]1CCC(CO[C@@H]2CC[C@H](C#N)C2)CC1 ZINC001224449868 973654239 /nfs/dbraw/zinc/65/42/39/973654239.db2.gz KDWUOBSAYWJDLC-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001329451045 973778353 /nfs/dbraw/zinc/77/83/53/973778353.db2.gz QEKZQFBTXBBPBL-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CC1(C)CC1 ZINC001329501637 973802492 /nfs/dbraw/zinc/80/24/92/973802492.db2.gz HZZNXXQFPUTNHB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H](CC(C)C)OCCC[N+](C)(C)C ZINC001224623651 973804432 /nfs/dbraw/zinc/80/44/32/973804432.db2.gz PBZFKNSBRQKBQY-CYBMUJFWSA-N 1 0 212.357 2.147 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001148494731 973853424 /nfs/dbraw/zinc/85/34/24/973853424.db2.gz WVPWDWMYJPTBFC-JOCQHMNTSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[C@@H](CC)OC[C@H]1CCCC[N@@H+]1C ZINC001224706687 973875019 /nfs/dbraw/zinc/87/50/19/973875019.db2.gz LJGVYPBQJFRCLL-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO N#CCc1c(F)cccc1NC[C@H]1CCCC[NH2+]1 ZINC001171341233 973896798 /nfs/dbraw/zinc/89/67/98/973896798.db2.gz VGESTWHACMDTJL-LLVKDONJSA-N 1 0 247.317 2.446 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC001329722542 973900318 /nfs/dbraw/zinc/90/03/18/973900318.db2.gz HIRADCRNQBTVLZ-SECBINFHSA-N 1 0 244.697 2.165 20 30 BEEDRO C[N+](C)(C)CCO[C@@H](CC#N)c1ccccc1 ZINC001224775698 973940992 /nfs/dbraw/zinc/94/09/92/973940992.db2.gz MWEGMWHTIKIUAC-AWEZNQCLSA-N 1 0 233.335 2.364 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001329862608 973947015 /nfs/dbraw/zinc/94/70/15/973947015.db2.gz LRNQJQCPOMFQHA-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)C1CC1 ZINC001329874143 973989885 /nfs/dbraw/zinc/98/98/85/973989885.db2.gz DZFBKFMQXXMNJX-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)c1ccccc1 ZINC001171413771 974025370 /nfs/dbraw/zinc/02/53/70/974025370.db2.gz MABCMXFRWFNJPP-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)c2ccoc2)CC1 ZINC001277001879 974044709 /nfs/dbraw/zinc/04/47/09/974044709.db2.gz JAXGAAJDWYKELX-UHFFFAOYSA-N 1 0 248.326 2.098 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C1C[NH+](CCCC)C1 ZINC001329971957 974059447 /nfs/dbraw/zinc/05/94/47/974059447.db2.gz OUYNCRMLRCEEDK-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1c(C(=O)OCCCC#N)ccc2c[nH+]cn21 ZINC001329986204 974067921 /nfs/dbraw/zinc/06/79/21/974067921.db2.gz AMCMGNDQULOZOR-UHFFFAOYSA-N 1 0 243.266 2.103 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1c(C)cnn1COC ZINC001330087644 974101542 /nfs/dbraw/zinc/10/15/42/974101542.db2.gz QDJZSIWLKRVNTA-LBPRGKRZSA-N 1 0 237.347 2.240 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001171661714 974123292 /nfs/dbraw/zinc/12/32/92/974123292.db2.gz QNIXVWYSXQLTFT-JOCQHMNTSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cccc(C#N)c2)C1 ZINC001225223096 974259328 /nfs/dbraw/zinc/25/93/28/974259328.db2.gz FKKXEJQEALUPIJ-ZDUSSCGKSA-N 1 0 216.284 2.031 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccc(F)cc1 ZINC001225248518 974306602 /nfs/dbraw/zinc/30/66/02/974306602.db2.gz ZYOLKMYMQSUHDX-CYBMUJFWSA-N 1 0 237.298 2.193 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115232 974380377 /nfs/dbraw/zinc/38/03/77/974380377.db2.gz SLBIAYLBRPHIEA-QKDCVEJESA-N 1 0 234.387 2.395 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CN2C(=O)CC2(C)C)C1 ZINC001330664143 974395558 /nfs/dbraw/zinc/39/55/58/974395558.db2.gz DCBRKZRGNRVNRT-LBPRGKRZSA-N 1 0 236.359 2.243 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CN2C(=O)CC2(C)C)C1 ZINC001330664142 974397998 /nfs/dbraw/zinc/39/79/98/974397998.db2.gz DCBRKZRGNRVNRT-GFCCVEGCSA-N 1 0 236.359 2.243 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN2C(=O)CC[C@H]2C1 ZINC001172178873 974434013 /nfs/dbraw/zinc/43/40/13/974434013.db2.gz IKGZMDGVOYFSIH-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CSc2ccccc2C1 ZINC001172203722 974435777 /nfs/dbraw/zinc/43/57/77/974435777.db2.gz VGENVAVKVHLKMK-LBPRGKRZSA-N 1 0 217.337 2.268 20 30 BEEDRO C=CC[NH+](CC=C)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172228592 974466589 /nfs/dbraw/zinc/46/65/89/974466589.db2.gz HNGSYENOCBTVLX-YHWZYXNKSA-N 1 0 207.317 2.370 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172229961 974470083 /nfs/dbraw/zinc/47/00/83/974470083.db2.gz QHUWSJHSLNOGMM-RLAWYHOSSA-N 1 0 234.343 2.322 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172197664 974481895 /nfs/dbraw/zinc/48/18/95/974481895.db2.gz PLKNGMCKOXAMPN-PWSUYJOCSA-N 1 0 217.337 2.315 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001330831080 974493523 /nfs/dbraw/zinc/49/35/23/974493523.db2.gz SMQRBMMBQWMOLJ-XQHKEYJVSA-N 1 0 209.333 2.356 20 30 BEEDRO N#Cc1csc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)c1 ZINC001172238940 974499016 /nfs/dbraw/zinc/49/90/16/974499016.db2.gz YNAKCZXJLLETSH-YOGCLGLASA-N 1 0 246.335 2.195 20 30 BEEDRO C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300783 974512459 /nfs/dbraw/zinc/51/24/59/974512459.db2.gz ZGYQYIQEWIORBM-STQMWFEESA-N 1 0 245.370 2.016 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1C ZINC001172308562 974516600 /nfs/dbraw/zinc/51/66/00/974516600.db2.gz LGYVCZJPQWRPFU-OLZOCXBDSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)n1cc(C[NH3+])cn1 ZINC001172303564 974517285 /nfs/dbraw/zinc/51/72/85/974517285.db2.gz ZYDMFBVNAZLJIO-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172304830 974517442 /nfs/dbraw/zinc/51/74/42/974517442.db2.gz AIZXDCSAVIMRRV-IUODEOHRSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CCC1 ZINC001172307083 974517823 /nfs/dbraw/zinc/51/78/23/974517823.db2.gz BNOQVVYQDMKBGB-LLVKDONJSA-N 1 0 200.285 2.195 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001330880486 974519480 /nfs/dbraw/zinc/51/94/80/974519480.db2.gz SCIAWZGPJSAPSF-NEPJUHHUSA-N 1 0 238.375 2.222 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C)C1 ZINC001172314897 974521807 /nfs/dbraw/zinc/52/18/07/974521807.db2.gz MHKMHJFBHHIAHS-OLZOCXBDSA-N 1 0 244.338 2.210 20 30 BEEDRO CC(C)[NH+]1CCC(Oc2ccc(C#N)nc2)CC1 ZINC001225500000 974533390 /nfs/dbraw/zinc/53/33/90/974533390.db2.gz RFYSFMNNMVYJBV-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001172325266 974535549 /nfs/dbraw/zinc/53/55/49/974535549.db2.gz SNQGRHKAJCEOGY-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C#C[C@H](CCC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225547499 974549020 /nfs/dbraw/zinc/54/90/20/974549020.db2.gz XZXQFFCDVNUEMK-GFCCVEGCSA-N 1 0 246.310 2.366 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cnco1 ZINC001172295989 974564439 /nfs/dbraw/zinc/56/44/39/974564439.db2.gz WDFDXVRSPSDWFG-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](CO)CC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172297389 974564733 /nfs/dbraw/zinc/56/47/33/974564733.db2.gz DRSUUQMCDGVTKI-CHWSQXEVSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCOC1 ZINC001172295446 974567197 /nfs/dbraw/zinc/56/71/97/974567197.db2.gz RUDAKZPARQJECP-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H](F)C2)n1 ZINC001331083821 974591931 /nfs/dbraw/zinc/59/19/31/974591931.db2.gz RUFFWLWCSKCDCN-WDEREUQCSA-N 1 0 233.290 2.324 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]C(CO)CO ZINC001172346585 974615819 /nfs/dbraw/zinc/61/58/19/974615819.db2.gz KAOHWBVWJJUXOL-GFCCVEGCSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCC[C@@H](CC)NC1(C[NH3+])COC1 ZINC001172347094 974616940 /nfs/dbraw/zinc/61/69/40/974616940.db2.gz QZGLXFUOMYBAGT-CYBMUJFWSA-N 1 0 242.407 2.443 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1COC[C@H]1O ZINC001172347860 974617396 /nfs/dbraw/zinc/61/73/96/974617396.db2.gz ZZVZOWWARBWYFT-MGPQQGTHSA-N 1 0 243.391 2.475 20 30 BEEDRO CCCCCCC[C@@H](CC)[N@H+](C)C[C@H](O)CO ZINC001172357963 974626938 /nfs/dbraw/zinc/62/69/38/974626938.db2.gz NOBOVFDVEZQABE-KGLIPLIRSA-N 1 0 245.407 2.411 20 30 BEEDRO CCCCCCC[C@@H](CC)[N@H+](C)C[C@@H](O)CO ZINC001172357965 974628074 /nfs/dbraw/zinc/62/80/74/974628074.db2.gz NOBOVFDVEZQABE-ZIAGYGMSSA-N 1 0 245.407 2.411 20 30 BEEDRO COc1ccc(C#N)cc1O[C@H](C)C[N+](C)(C)C ZINC001225688840 974643942 /nfs/dbraw/zinc/64/39/42/974643942.db2.gz IVGBWHALHJRAFL-LLVKDONJSA-N 1 0 249.334 2.040 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225696991 974648252 /nfs/dbraw/zinc/64/82/52/974648252.db2.gz BYOQTBHCQLSUCR-LLVKDONJSA-N 1 0 236.702 2.295 20 30 BEEDRO C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)CC ZINC001331259445 974664404 /nfs/dbraw/zinc/66/44/04/974664404.db2.gz RIYJLVCFKJGHDE-AAEUAGOBSA-N 1 0 238.375 2.045 20 30 BEEDRO CCOCC[C@H](C)[NH2+]Cc1ccccc1C#N ZINC001172411830 974676099 /nfs/dbraw/zinc/67/60/99/974676099.db2.gz RNSPNESGUSBIDD-LBPRGKRZSA-N 1 0 232.327 2.463 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001172429099 974706646 /nfs/dbraw/zinc/70/66/46/974706646.db2.gz SKMANKCQIMOFKC-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CCOCCOCC[NH2+][C@@H](CC)CC(C)C ZINC001172392634 974742111 /nfs/dbraw/zinc/74/21/11/974742111.db2.gz GFBAFNCVLLTDAD-AWEZNQCLSA-N 1 0 241.375 2.067 20 30 BEEDRO C#CC1([NH2+]Cc2cnc(N(C)C)s2)CCCC1 ZINC001331502508 974743082 /nfs/dbraw/zinc/74/30/82/974743082.db2.gz TWSQUWXQUNUVDX-UHFFFAOYSA-N 1 0 249.383 2.245 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(C#C)cc1 ZINC001331530779 974749943 /nfs/dbraw/zinc/74/99/43/974749943.db2.gz BRAGYZQUFJSJDT-INIZCTEOSA-N 1 0 241.334 2.186 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](F)CC ZINC001331532796 974750931 /nfs/dbraw/zinc/75/09/31/974750931.db2.gz ICLDYGIAXQSHRW-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc(C)co2)C1 ZINC001331566300 974763295 /nfs/dbraw/zinc/76/32/95/974763295.db2.gz NOHVOQBMKIHRKN-LBPRGKRZSA-N 1 0 221.300 2.365 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccc(C#N)c(F)c1F ZINC001226018206 974763983 /nfs/dbraw/zinc/76/39/83/974763983.db2.gz RMVQLOUNLFBIFY-QMMMGPOBSA-N 1 0 240.253 2.165 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCCC(C)C ZINC001331586322 974770993 /nfs/dbraw/zinc/77/09/93/974770993.db2.gz YHMWJTHCNYHKPO-CHWSQXEVSA-N 1 0 211.349 2.175 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccn1C ZINC001172476349 974772511 /nfs/dbraw/zinc/77/25/11/974772511.db2.gz KBCRSFPLNAPTJR-LLVKDONJSA-N 1 0 205.305 2.197 20 30 BEEDRO Cc1ccc(C[NH3+])nc1N(C)[C@@H](C)CCCC#N ZINC001172476439 974773353 /nfs/dbraw/zinc/77/33/53/974773353.db2.gz LJOKOXFAICTNNM-LBPRGKRZSA-N 1 0 246.358 2.367 20 30 BEEDRO COc1cc(C[NH2+][C@@H](C)CCCC#N)ccn1 ZINC001172477124 974774963 /nfs/dbraw/zinc/77/49/63/974774963.db2.gz VUSKDZPIJSKJAV-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO CC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)CCCC#N ZINC001172478011 974776522 /nfs/dbraw/zinc/77/65/22/974776522.db2.gz AVJADENJVAJNOA-SDDRHHMPSA-N 1 0 212.337 2.065 20 30 BEEDRO COc1ccc(C[NH2+][C@@H](C)CCCC#N)cn1 ZINC001172479726 974779209 /nfs/dbraw/zinc/77/92/09/974779209.db2.gz NZOHKSHSYGQMBG-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO COCC1([NH2+][C@H](C)CCCC#N)CCC1 ZINC001172479627 974780273 /nfs/dbraw/zinc/78/02/73/974780273.db2.gz NFRPXKZNMMOWFP-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1(c2cnn(C)c2)CC1 ZINC001172480920 974780883 /nfs/dbraw/zinc/78/08/83/974780883.db2.gz XSFOFGVZKHMULV-LLVKDONJSA-N 1 0 232.331 2.081 20 30 BEEDRO C[C@H](CN1CCCC1)[NH2+][C@@H](C)CCCC#N ZINC001172481253 974781409 /nfs/dbraw/zinc/78/14/09/974781409.db2.gz RPLTYRMPTDCBBK-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)CCCC#N)on1 ZINC001172481237 974781556 /nfs/dbraw/zinc/78/15/56/974781556.db2.gz REQLBEJQIZRUEA-SECBINFHSA-N 1 0 207.277 2.155 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)CCOCC(C)C ZINC001172482392 974783844 /nfs/dbraw/zinc/78/38/44/974783844.db2.gz YETLBDWDMQFTNA-AWEZNQCLSA-N 1 0 221.344 2.006 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CCCC(C)C ZINC001331676173 974788656 /nfs/dbraw/zinc/78/86/56/974788656.db2.gz NYNGTTLUZOQMEX-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(CCO)c1 ZINC001172486352 974790642 /nfs/dbraw/zinc/79/06/42/974790642.db2.gz BJIMULXINCIRJR-ZDUSSCGKSA-N 1 0 246.354 2.393 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(C#N)nc1 ZINC001172436707 974791841 /nfs/dbraw/zinc/79/18/41/974791841.db2.gz HJERBTNGQUFKMP-GFCCVEGCSA-N 1 0 247.342 2.246 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226114106 974797245 /nfs/dbraw/zinc/79/72/45/974797245.db2.gz FRCCUAPEWSFJFZ-GWQWUEFDSA-N 1 0 248.326 2.358 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](OC)[C@@H](C)CC)C1 ZINC001331727807 974805852 /nfs/dbraw/zinc/80/58/52/974805852.db2.gz IRVSEGCTJAWPER-MJBXVCDLSA-N 1 0 241.375 2.324 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1Oc2ccccc2O1 ZINC001172487735 974833237 /nfs/dbraw/zinc/83/32/37/974833237.db2.gz JAWYGYWANSONMN-NSHDSACASA-N 1 0 246.310 2.456 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccn(CCF)n1 ZINC001172488836 974833439 /nfs/dbraw/zinc/83/34/39/974833439.db2.gz WRFFZIJOHKONJP-LLVKDONJSA-N 1 0 238.310 2.025 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCN(C2CCC2)C1 ZINC001172487799 974833504 /nfs/dbraw/zinc/83/35/04/974833504.db2.gz JMEFQLBTAHPTRM-STQMWFEESA-N 1 0 235.375 2.285 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1(c2ncccn2)CC1 ZINC001172488870 974833846 /nfs/dbraw/zinc/83/38/46/974833846.db2.gz XBFWNMCROPZWSC-NSHDSACASA-N 1 0 230.315 2.138 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172489572 974834725 /nfs/dbraw/zinc/83/47/25/974834725.db2.gz VLXSTKXRZYEAHZ-MNOVXSKESA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCOc1ccncc1 ZINC001172490629 974836689 /nfs/dbraw/zinc/83/66/89/974836689.db2.gz JGTUZCIXIQUPOD-GFCCVEGCSA-N 1 0 233.315 2.132 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC(=O)c1ccc(O)cc1 ZINC001172490942 974836782 /nfs/dbraw/zinc/83/67/82/974836782.db2.gz CHBRUBLTFRENNA-LLVKDONJSA-N 1 0 246.310 2.247 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172491257 974837696 /nfs/dbraw/zinc/83/76/96/974837696.db2.gz CYHSHMFZJULNSF-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](CO)CC1 ZINC001172492160 974839256 /nfs/dbraw/zinc/83/92/56/974839256.db2.gz JBFJSSUXORLMCJ-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172492151 974839627 /nfs/dbraw/zinc/83/96/27/974839627.db2.gz JBAQGTOHYBRKBY-WDEREUQCSA-N 1 0 246.301 2.018 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1[C@H](C)CCCC#N ZINC001172492220 974840052 /nfs/dbraw/zinc/84/00/52/974840052.db2.gz JPBLWTGXDFXZMX-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172492223 974840537 /nfs/dbraw/zinc/84/05/37/974840537.db2.gz JPBLWTGXDFXZMX-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO CCn1cnc(C[NH2+][C@@H](C)CCCC#N)c1 ZINC001172493079 974843004 /nfs/dbraw/zinc/84/30/04/974843004.db2.gz SFPFNLKVKBEYGI-NSHDSACASA-N 1 0 220.320 2.075 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)C1CCN(C)CC1 ZINC001172493084 974843069 /nfs/dbraw/zinc/84/30/69/974843069.db2.gz WEOBIOXDSOBSRK-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@](F)(CO)CC1 ZINC001172494399 974844481 /nfs/dbraw/zinc/84/44/81/974844481.db2.gz UBSPEDAQDGXOFX-CHWSQXEVSA-N 1 0 242.338 2.255 20 30 BEEDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172498738 974850188 /nfs/dbraw/zinc/85/01/88/974850188.db2.gz QSZLFABMWXEVPB-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO Cc1noc([C@@H]2CC[N@@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172498843 974850839 /nfs/dbraw/zinc/85/08/39/974850839.db2.gz RNRIKLXQTOUJCX-ZYHUDNBSSA-N 1 0 248.330 2.250 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001172499470 974851191 /nfs/dbraw/zinc/85/11/91/974851191.db2.gz YFBIYYJVKXRTTH-GXTWGEPZSA-N 1 0 235.375 2.237 20 30 BEEDRO CC(C)[N@H+](C)[C@@H]1CCN([C@H](C)CCCC#N)C1 ZINC001172499411 974851502 /nfs/dbraw/zinc/85/15/02/974851502.db2.gz WWBZAELUYBLXPW-ZIAGYGMSSA-N 1 0 237.391 2.483 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](CCO)C1 ZINC001172499122 974852291 /nfs/dbraw/zinc/85/22/91/974852291.db2.gz AXBQDMNRIMGYAF-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@H](C)CCCC#N ZINC001172501474 974853572 /nfs/dbraw/zinc/85/35/72/974853572.db2.gz QSMOUEOHRKIMDV-NEPJUHHUSA-N 1 0 238.331 2.096 20 30 BEEDRO CCCN1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172501251 974854539 /nfs/dbraw/zinc/85/45/39/974854539.db2.gz PRNYWKPPMFJWJS-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CCC(S)CC1 ZINC001172503295 974856286 /nfs/dbraw/zinc/85/62/86/974856286.db2.gz ZBBHNXPQDYNPBA-SNVBAGLBSA-N 1 0 212.362 2.463 20 30 BEEDRO C[C@H](CCCC#N)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001172503730 974857704 /nfs/dbraw/zinc/85/77/04/974857704.db2.gz BYLXYPKGRTWPLB-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO CC(C)[N@H+](CCCO)[C@H](C)CCCC#N ZINC001172504614 974859347 /nfs/dbraw/zinc/85/93/47/974859347.db2.gz HXXYOGXHOKRKFE-GFCCVEGCSA-N 1 0 212.337 2.162 20 30 BEEDRO CCCOC1C[NH+]([C@@H](C)CCCC#N)C1 ZINC001172506972 974859490 /nfs/dbraw/zinc/85/94/90/974859490.db2.gz MXXDQHWNBLMCRE-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO CCN1CC[N@@H+]([C@@H](C)CCCC#N)C[C@H]1C ZINC001172504676 974860375 /nfs/dbraw/zinc/86/03/75/974860375.db2.gz HXMPVPHKSOOFBN-QWHCGFSZSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCn2cccc2C1 ZINC001172507042 974862749 /nfs/dbraw/zinc/86/27/49/974862749.db2.gz OBVVADXVYVANDZ-LBPRGKRZSA-N 1 0 217.316 2.386 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001172507051 974862968 /nfs/dbraw/zinc/86/29/68/974862968.db2.gz ODXMAKANAYQNJA-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO CC(C)c1ccc(C#N)c(O[C@@H](C)C[NH+](C)C)n1 ZINC001226355203 974866309 /nfs/dbraw/zinc/86/63/09/974866309.db2.gz DDGAADSPXJALLR-NSHDSACASA-N 1 0 247.342 2.406 20 30 BEEDRO CC(C)c1ccc(C#N)c(O[C@@H]2CC[N@H+](C)C2)n1 ZINC001226355871 974867155 /nfs/dbraw/zinc/86/71/55/974867155.db2.gz MGSSNQIEBOOGSU-GFCCVEGCSA-N 1 0 245.326 2.160 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC001172592052 974880070 /nfs/dbraw/zinc/88/00/70/974880070.db2.gz FPSNBAXLYSYVNV-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC001331984645 974904785 /nfs/dbraw/zinc/90/47/85/974904785.db2.gz RBHZTMSTOWYSST-WCFLWFBJSA-N 1 0 245.326 2.171 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC001332024777 974923935 /nfs/dbraw/zinc/92/39/35/974923935.db2.gz KOBKOBLVHKIZDP-CQSZACIVSA-N 1 0 234.387 2.110 20 30 BEEDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CCCS)CC1 ZINC001172777331 974939645 /nfs/dbraw/zinc/93/96/45/974939645.db2.gz PPWDVDUKSMIDMY-WDEREUQCSA-N 1 0 245.388 2.018 20 30 BEEDRO Cc1cc(C#N)cc(C)c1O[C@@H]1CC[N@@H+](C)C1 ZINC001226521654 974942580 /nfs/dbraw/zinc/94/25/80/974942580.db2.gz JWHPPCPVNQCNGI-CYBMUJFWSA-N 1 0 230.311 2.258 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCC[C@@H](OC)C2)N=N1 ZINC001172936979 974990809 /nfs/dbraw/zinc/99/08/09/974990809.db2.gz ZQEOVBLHUGAACT-QWHCGFSZSA-N 1 0 249.358 2.499 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)Oc1cc[nH+]c(N)c1 ZINC001226653380 974999712 /nfs/dbraw/zinc/99/97/12/974999712.db2.gz ILYYQFVHBIPJHQ-SNVBAGLBSA-N 1 0 234.375 2.312 20 30 BEEDRO N#C[C@@H](Oc1cc[nH+]c(N)c1)c1cccc(F)c1 ZINC001226654535 975001903 /nfs/dbraw/zinc/00/19/03/975001903.db2.gz ZLOSLLWUYPSCQE-GFCCVEGCSA-N 1 0 243.241 2.447 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)C)C1 ZINC001332234971 975020214 /nfs/dbraw/zinc/02/02/14/975020214.db2.gz FKLISYMVKAPHNM-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173142246 975044210 /nfs/dbraw/zinc/04/42/10/975044210.db2.gz UASJDFXABWZNJH-LBPRGKRZSA-N 1 0 246.379 2.346 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219511 975074497 /nfs/dbraw/zinc/07/44/97/975074497.db2.gz CTCHUJSUBKHIKQ-QWRGUYRKSA-N 1 0 247.298 2.418 20 30 BEEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC#N ZINC001173233869 975076456 /nfs/dbraw/zinc/07/64/56/975076456.db2.gz KJKBOAIQWMISBG-LLVKDONJSA-N 1 0 247.298 2.419 20 30 BEEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC#N ZINC001173233870 975076581 /nfs/dbraw/zinc/07/65/81/975076581.db2.gz KJKBOAIQWMISBG-NSHDSACASA-N 1 0 247.298 2.419 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2cc(C#N)ccc2C)C1 ZINC001226874660 975129430 /nfs/dbraw/zinc/12/94/30/975129430.db2.gz PBFMELLMWCGKQU-CYBMUJFWSA-N 1 0 230.311 2.340 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC001173267308 975133214 /nfs/dbraw/zinc/13/32/14/975133214.db2.gz RDEAQZYKXTYXCX-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2ncco2)CC1 ZINC001173308773 975215400 /nfs/dbraw/zinc/21/54/00/975215400.db2.gz NLDKWCIVXOFXEW-UHFFFAOYSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCOC1CCC(n2cncc2CC[NH3+])CC1 ZINC001173308363 975217374 /nfs/dbraw/zinc/21/73/74/975217374.db2.gz IZDLSPSXJUNMRH-UHFFFAOYSA-N 1 0 249.358 2.071 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2ccnnc2)CC1 ZINC001173312286 975225974 /nfs/dbraw/zinc/22/59/74/975225974.db2.gz DLUSWSNYNAUFNK-UHFFFAOYSA-N 1 0 247.342 2.080 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(OC)cc1 ZINC001332701950 975259687 /nfs/dbraw/zinc/25/96/87/975259687.db2.gz WYVXYWRPHKSTMZ-TZMCWYRMSA-N 1 0 248.326 2.010 20 30 BEEDRO C=CCOC1CCC([N@H+](C)CC(C)=O)CC1 ZINC001173321863 975265985 /nfs/dbraw/zinc/26/59/85/975265985.db2.gz QWVCQQGTXVAMPW-UHFFFAOYSA-N 1 0 225.332 2.021 20 30 BEEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](OC)C2)CC1 ZINC001173321534 975265963 /nfs/dbraw/zinc/26/59/63/975265963.db2.gz LKURFAJDXYQMCF-JXQTWKCFSA-N 1 0 239.359 2.221 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001332716131 975270048 /nfs/dbraw/zinc/27/00/48/975270048.db2.gz DNXRMOBQWWNRNC-ZBFHGGJFSA-N 1 0 245.366 2.290 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC001173323976 975270581 /nfs/dbraw/zinc/27/05/81/975270581.db2.gz FEASRTNRLXREKY-HOAMVYINSA-N 1 0 236.359 2.352 20 30 BEEDRO N#CCC1CCC([NH2+]CC(F)F)CC1 ZINC001173325048 975274863 /nfs/dbraw/zinc/27/48/63/975274863.db2.gz ZTZPOUCFZNCZPC-UHFFFAOYSA-N 1 0 202.248 2.314 20 30 BEEDRO Cc1ncn(C2CCC(CC#N)CC2)c1CC[NH3+] ZINC001173328011 975276350 /nfs/dbraw/zinc/27/63/50/975276350.db2.gz MIPNEFJYJRVBQL-UHFFFAOYSA-N 1 0 246.358 2.338 20 30 BEEDRO C#CC[N@@H+](C)C1CCC(OCC=C)CC1 ZINC001173327923 975276960 /nfs/dbraw/zinc/27/69/60/975276960.db2.gz VVZWFZWIOQBNLX-UHFFFAOYSA-N 1 0 207.317 2.065 20 30 BEEDRO CCC1([NH2+]C2CCC(CC#N)CC2)COC1 ZINC001173329805 975277802 /nfs/dbraw/zinc/27/78/02/975277802.db2.gz NLBWCUZTUNBQND-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO CO[C@@H](C)C[NH2+]C1CCC(CC#N)CC1 ZINC001173329648 975277900 /nfs/dbraw/zinc/27/79/00/975277900.db2.gz IGKGAHPXVAKPDK-UNXYVOJBSA-N 1 0 210.321 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229.364 2.107 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)nc1)[C@H]1CCCO1 ZINC001332897460 975312849 /nfs/dbraw/zinc/31/28/49/975312849.db2.gz LQKTUESYTJOUIP-WCFLWFBJSA-N 1 0 248.301 2.052 20 30 BEEDRO CCN1CC[C@H]([NH2+]CCCCCCS)C1 ZINC001173358250 975322182 /nfs/dbraw/zinc/32/21/82/975322182.db2.gz OXWSDHZDXKMPSH-LBPRGKRZSA-N 1 0 230.421 2.160 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC001332946904 975335068 /nfs/dbraw/zinc/33/50/68/975335068.db2.gz PXMZPEDVKRIZGK-HBNTYKKESA-N 1 0 215.362 2.061 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC001332991833 975359360 /nfs/dbraw/zinc/35/93/60/975359360.db2.gz FKILMCFVVRWFKH-OLZOCXBDSA-N 1 0 222.332 2.203 20 30 BEEDRO CC[NH+]1CCC(Oc2cc(C#N)ccc2O)CC1 ZINC001227345042 975364042 /nfs/dbraw/zinc/36/40/42/975364042.db2.gz IPBHOHQHZZEXHP-UHFFFAOYSA-N 1 0 246.310 2.127 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2cc(C#N)ccc2O)C1 ZINC001227351143 975373728 /nfs/dbraw/zinc/37/37/28/975373728.db2.gz SCFIYGKHACGKHU-LBPRGKRZSA-N 1 0 246.310 2.127 20 30 BEEDRO C=CC[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173473877 975380103 /nfs/dbraw/zinc/38/01/03/975380103.db2.gz LTNQYBJBCJWAGJ-UHFFFAOYSA-N 1 0 209.239 2.208 20 30 BEEDRO C[N@H+](CC1CCC(O)CC1)[C@@H]1CCC[C@@H]1C#N ZINC001333054946 975390099 /nfs/dbraw/zinc/39/00/99/975390099.db2.gz SFLIEUHORFZJFE-FKZOYECMSA-N 1 0 236.359 2.162 20 30 BEEDRO C[N@H+](CC1CCC(O)CC1)[C@H]1CCC[C@@H]1C#N ZINC001333055333 975391385 /nfs/dbraw/zinc/39/13/85/975391385.db2.gz SFLIEUHORFZJFE-HHTDUIENSA-N 1 0 236.359 2.162 20 30 BEEDRO Cc1nn(C)cc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173584744 975421396 /nfs/dbraw/zinc/42/13/96/975421396.db2.gz JTLGPQGYFJLOBL-UHFFFAOYSA-N 1 0 246.358 2.291 20 30 BEEDRO Cc1ncn(C2CCC(C)(C#N)CC2)c1CC[NH3+] ZINC001173584990 975421814 /nfs/dbraw/zinc/42/18/14/975421814.db2.gz VIZQJQGNEBOOHR-UHFFFAOYSA-N 1 0 246.358 2.338 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cccnn2)CC1 ZINC001173584711 975424090 /nfs/dbraw/zinc/42/40/90/975424090.db2.gz HVGNPNFKSQMEAZ-UHFFFAOYSA-N 1 0 230.315 2.039 20 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CC1(C#N)CCC([NH2+]C2CCOCC2)CC1 ZINC001173589780 975441973 /nfs/dbraw/zinc/44/19/73/975441973.db2.gz KQFKQTKJTCIMHC-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCc2cnoc2)CC1 ZINC001173591799 975448505 /nfs/dbraw/zinc/44/85/05/975448505.db2.gz YXVDBWWIZVSJFW-UHFFFAOYSA-N 1 0 233.315 2.279 20 30 BEEDRO CC(C)(O)[C@H](F)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173593463 975452152 /nfs/dbraw/zinc/45/21/52/975452152.db2.gz PHKBWKVFPAVTRD-QWKFWESOSA-N 1 0 242.338 2.157 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@H]2CO)CC1 ZINC001173593261 975452616 /nfs/dbraw/zinc/45/26/16/975452616.db2.gz KXUAZPSWDZEWTO-AHPWVWPOSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C#N)CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC001173593688 975455428 /nfs/dbraw/zinc/45/54/28/975455428.db2.gz LVTQWIXNACZKKV-UHFFFAOYSA-N 1 0 244.342 2.174 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCCC[C@@H](O)C2)CC1 ZINC001173593718 975461603 /nfs/dbraw/zinc/46/16/03/975461603.db2.gz MBPPKZZBDZWOMI-ROKHWSDSSA-N 1 0 236.359 2.306 20 30 BEEDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCC(C)(C#N)CC1 ZINC001173599947 975465565 /nfs/dbraw/zinc/46/55/65/975465565.db2.gz UJQGSIFHJMBUFB-HFDVOGEKSA-N 1 0 247.386 2.237 20 30 BEEDRO CCN1CC[N@@H+](C2CCC(C)(C#N)CC2)C[C@H]1C ZINC001173596848 975468485 /nfs/dbraw/zinc/46/84/85/975468485.db2.gz FUWPZPLIYYTSHY-WLYUNCDWSA-N 1 0 249.402 2.485 20 30 BEEDRO COC[C@H]1CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173597366 975469881 /nfs/dbraw/zinc/46/98/81/975469881.db2.gz QRTSWTXAVLBEHL-OTTFEQOBSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@](C)(O)C2)CC1 ZINC001173599963 975473242 /nfs/dbraw/zinc/47/32/42/975473242.db2.gz UMUJBKPELZHFMY-JXQTWKCFSA-N 1 0 236.359 2.306 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001173599146 975473748 /nfs/dbraw/zinc/47/37/48/975473748.db2.gz GQISVDLUOUBWGR-HIFPTAJRSA-N 1 0 217.316 2.304 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173608273 975476657 /nfs/dbraw/zinc/47/66/57/975476657.db2.gz FJYFXNBJSSJJCZ-UQJCBBSYSA-N 1 0 249.354 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2.306 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC001333319579 975653720 /nfs/dbraw/zinc/65/37/20/975653720.db2.gz OMEHQXKXUUVTTR-AWEZNQCLSA-N 1 0 248.370 2.429 20 30 BEEDRO Cc1cc(C#N)cc(O[C@@H]2C[NH+]3CCC2CC3)c1 ZINC001227834727 975722751 /nfs/dbraw/zinc/72/27/51/975722751.db2.gz CZJAZHYMELNMCZ-OAHLLOKOSA-N 1 0 242.322 2.340 20 30 BEEDRO Cc1cc(C#N)cc(O[C@@H]2CCC[N@@H+](C)C2)c1 ZINC001227835162 975725064 /nfs/dbraw/zinc/72/50/64/975725064.db2.gz JBYDFZRCGKKYEG-CYBMUJFWSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1cc(C#N)cc(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001227834726 975725438 /nfs/dbraw/zinc/72/54/38/975725438.db2.gz CZJAZHYMELNMCZ-HNNXBMFYSA-N 1 0 242.322 2.340 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@@H](C)CCC)CC1 ZINC001344942840 1169993742 /nfs/dbraw/zinc/99/37/42/1169993742.db2.gz UPTZVQXWPFDLGH-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCSc1ccncc1 ZINC001333487709 975809861 /nfs/dbraw/zinc/80/98/61/975809861.db2.gz ZLJLNMQUYQCOKT-NSHDSACASA-N 1 0 220.341 2.127 20 30 BEEDRO C=CC[C@@H]1[N@@H+](CC[N+](=O)[O-])CCCC1(C)C ZINC001333486224 975810666 /nfs/dbraw/zinc/81/06/66/975810666.db2.gz JSSYGGOHYOOKSX-NSHDSACASA-N 1 0 226.320 2.330 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001333486798 975811837 /nfs/dbraw/zinc/81/18/37/975811837.db2.gz PVSLIXXQTNORNS-LPEHRKFASA-N 1 0 235.249 2.050 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccn1C1CC1 ZINC001333556668 975850720 /nfs/dbraw/zinc/85/07/20/975850720.db2.gz HFLKPHCFYNRTQR-LLVKDONJSA-N 1 0 220.316 2.114 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)CCC[NH2+]C(C)C ZINC001277263874 975868243 /nfs/dbraw/zinc/86/82/43/975868243.db2.gz ILJCEVVKQPPJEP-LBPRGKRZSA-N 1 0 240.391 2.482 20 30 BEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1Cc1ccc(C#N)s1 ZINC001333625038 975903708 /nfs/dbraw/zinc/90/37/08/975903708.db2.gz SGBHSLFHRWIVRC-MFKMUULPSA-N 1 0 249.383 2.144 20 30 BEEDRO CC(C)(C#N)c1ccc(Nc2cc[nH+]cc2)cn1 ZINC001173881700 975926953 /nfs/dbraw/zinc/92/69/53/975926953.db2.gz GDWGZGIJIQZTMT-UHFFFAOYSA-N 1 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C#C[C@H]1CCCC[N@H+]1CC1CCC(O)CC1 ZINC001334689430 976589901 /nfs/dbraw/zinc/58/99/01/976589901.db2.gz BYZZCBUSIBYECF-MOKVOYLWSA-N 1 0 221.344 2.025 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1ccccc1/C=N/N ZINC001229285451 976812879 /nfs/dbraw/zinc/81/28/79/976812879.db2.gz IFDJCSNFNGHFIG-SEJMYLSOSA-N 1 0 249.358 2.088 20 30 BEEDRO CCN(CCC[NH+](C)C)c1cc(C)cc(C#N)n1 ZINC001334983822 976817967 /nfs/dbraw/zinc/81/79/67/976817967.db2.gz HCFGZYQQDIZYKD-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO Cc1c[nH+]ccc1-n1nc(N)c2c1cccc2C#N ZINC001174536837 976820586 /nfs/dbraw/zinc/82/05/86/976820586.db2.gz XAEGIVHUOOHIBM-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC001335054865 976837253 /nfs/dbraw/zinc/83/72/53/976837253.db2.gz GFECRJGOIUJLSY-GXTWGEPZSA-N 1 0 232.327 2.013 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H](C)C(C)(C)C ZINC001174571940 976841338 /nfs/dbraw/zinc/84/13/38/976841338.db2.gz SIADXERLWBMZIW-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C#CC[N@H+](Cc1cccc2c1OCO2)C(C)C ZINC001335116492 976855883 /nfs/dbraw/zinc/85/58/83/976855883.db2.gz HTICKEMKUNBOBF-UHFFFAOYSA-N 1 0 231.295 2.259 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC001335216726 976886310 /nfs/dbraw/zinc/88/63/10/976886310.db2.gz QMAKIDXERWLVOK-SNVBAGLBSA-N 1 0 226.364 2.234 20 30 BEEDRO C#C[C@H](C)Oc1ccc(CC[NH+](C)C)cc1 ZINC001229658728 976935334 /nfs/dbraw/zinc/93/53/34/976935334.db2.gz YDUJKZSWPAKDOK-LBPRGKRZSA-N 1 0 217.312 2.191 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@H]1CCC[N@@H+](C)C1 ZINC001229736476 976967537 /nfs/dbraw/zinc/96/75/37/976967537.db2.gz DGUYBFUCTHJCTO-YGRGUWMTSA-N 1 0 248.326 2.358 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229736474 976971814 /nfs/dbraw/zinc/97/18/14/976971814.db2.gz DGUYBFUCTHJCTO-PKVLTRFUSA-N 1 0 248.326 2.358 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2[NH2+]C[C@@H]3C[C@@H]32)n1 ZINC001335381052 977014229 /nfs/dbraw/zinc/01/42/29/977014229.db2.gz IEJBIBYTIVPBLH-LPEHRKFASA-N 1 0 233.315 2.204 20 30 BEEDRO C=C(C)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001174793640 977037172 /nfs/dbraw/zinc/03/71/72/977037172.db2.gz IBKRLNTXNSQFSM-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO C#CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001335422451 977046403 /nfs/dbraw/zinc/04/64/03/977046403.db2.gz RGVUKBKWIFWRGO-GFCCVEGCSA-N 1 0 241.693 2.125 20 30 BEEDRO C#CCC[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001335420824 977047366 /nfs/dbraw/zinc/04/73/66/977047366.db2.gz IVLCNPIZNIJKDE-INIZCTEOSA-N 1 0 239.318 2.486 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001335515927 977109038 /nfs/dbraw/zinc/10/90/38/977109038.db2.gz XQDYNZWXWBUMIW-KGYLQXTDSA-N 1 0 217.316 2.208 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](Cc2cc[nH]c2)CC1 ZINC000260022523 977160484 /nfs/dbraw/zinc/16/04/84/977160484.db2.gz MTLQACHRLQAFRR-LLVKDONJSA-N 1 0 203.289 2.140 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cccc(OC)c1C ZINC001335594786 977165620 /nfs/dbraw/zinc/16/56/20/977165620.db2.gz ZAGGZXAXZDKPCX-UHFFFAOYSA-N 1 0 247.338 2.085 20 30 BEEDRO C=C[C@H](C)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230508092 977227398 /nfs/dbraw/zinc/22/73/98/977227398.db2.gz TVGNZFARNLGKTF-ZETCQYMHSA-N 1 0 203.245 2.098 20 30 BEEDRO N#C[C@@H]1CC[C@@H](Oc2ccc3[nH]c(N)[nH+]c3c2)C1 ZINC001230508094 977229621 /nfs/dbraw/zinc/22/96/21/977229621.db2.gz TVSDWCBQANSGNI-RKDXNWHRSA-N 1 0 242.282 2.216 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H]1CN(C)C(C)=O ZINC001230526820 977240355 /nfs/dbraw/zinc/24/03/55/977240355.db2.gz IPHIIYOQBCJCEH-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001335740831 977253439 /nfs/dbraw/zinc/25/34/39/977253439.db2.gz DFZAJFCHQYARMJ-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2cc(F)ccc2C#N)C1 ZINC001230636361 977283775 /nfs/dbraw/zinc/28/37/75/977283775.db2.gz JUFKYDBYPUCCHY-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO N#Cc1ccc(F)cc1O[C@@H]1C[NH+]2CCC1CC2 ZINC001230636633 977286135 /nfs/dbraw/zinc/28/61/35/977286135.db2.gz NXFHDPXJROHWNO-CQSZACIVSA-N 1 0 246.285 2.170 20 30 BEEDRO C=C(C)CCC(=O)N(C)CCCC[NH+](C)C ZINC001335807391 977298163 /nfs/dbraw/zinc/29/81/63/977298163.db2.gz UYMGZBCFJUIZFG-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC ZINC001230795459 977338885 /nfs/dbraw/zinc/33/88/85/977338885.db2.gz MWHFISSADNIYOT-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCN1CC[C@@H]1CN(C)C(=O)C(CC)CC ZINC001230829063 977341876 /nfs/dbraw/zinc/34/18/76/977341876.db2.gz ICOBCUDHAJGILN-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001336016827 977431705 /nfs/dbraw/zinc/43/17/05/977431705.db2.gz HRCSVWBVKIMXMK-UONOGXRCSA-N 1 0 217.312 2.030 20 30 BEEDRO C=C(C)CC[N@H+](C)CCCNC(=O)C(C)(C)F ZINC001231129756 977496510 /nfs/dbraw/zinc/49/65/10/977496510.db2.gz DZKJYVOXZHTQPN-UHFFFAOYSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H]1CC[N@H+]1CC(C)C ZINC001231122698 977498038 /nfs/dbraw/zinc/49/80/38/977498038.db2.gz NKYKWBWDPMHAMG-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+]Cc1cncc(C#N)c1 ZINC000721585241 977505662 /nfs/dbraw/zinc/50/56/62/977505662.db2.gz HDPONNFXCOONCW-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1cncc(C#N)c1 ZINC000721615137 977568910 /nfs/dbraw/zinc/56/89/10/977568910.db2.gz OGYJECPIDBZTKS-SNVBAGLBSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H](CC#N)N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721614498 977570142 /nfs/dbraw/zinc/57/01/42/977570142.db2.gz MPNAEZHSTXMNHQ-HUUCEWRRSA-N 1 0 243.354 2.064 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccc(C#N)c(C#N)c2)C1 ZINC001175579917 977597366 /nfs/dbraw/zinc/59/73/66/977597366.db2.gz HZXRKKQLPFDBTC-UHFFFAOYSA-N 1 0 238.294 2.061 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccc(C#N)c(F)c2)C1 ZINC001175578804 977597669 /nfs/dbraw/zinc/59/76/69/977597669.db2.gz KAYMMHNFGWQNDP-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO COc1ccc(C#N)c(NC2=CCC[N@H+](C)C2)c1 ZINC001175579163 977597873 /nfs/dbraw/zinc/59/78/73/977597873.db2.gz OMSVTMGGITYRDX-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO N#CC1CC[NH+](Cc2c[nH]c3cnccc23)CC1 ZINC001231514127 977619037 /nfs/dbraw/zinc/61/90/37/977619037.db2.gz LKRSRQGUSVYUNK-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C=CCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC001231593219 977642666 /nfs/dbraw/zinc/64/26/66/977642666.db2.gz OQOMVDXYIFLDIB-UHFFFAOYSA-N 1 0 246.354 2.004 20 30 BEEDRO COc1cc(C#N)ccc1C[NH+]1CC(C)C1 ZINC001231616910 977646894 /nfs/dbraw/zinc/64/68/94/977646894.db2.gz RHSGFZMNWKZPLE-UHFFFAOYSA-N 1 0 216.284 2.019 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC001231656021 977663944 /nfs/dbraw/zinc/66/39/44/977663944.db2.gz IMTDEQINLTXCDT-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC001231664332 977672532 /nfs/dbraw/zinc/67/25/32/977672532.db2.gz ZWRCXOGCWXMVTQ-HNNXBMFYSA-N 1 0 243.350 2.403 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC001231820845 977758511 /nfs/dbraw/zinc/75/85/11/977758511.db2.gz XSPSRSGJBFPIBX-UHFFFAOYSA-N 1 0 241.338 2.101 20 30 BEEDRO C#CC[N@@H+](C)Cc1c(C)cc(C)cc1O ZINC001231846234 977762178 /nfs/dbraw/zinc/76/21/78/977762178.db2.gz IWERCZQNDFORQE-UHFFFAOYSA-N 1 0 203.285 2.074 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)/C=C(/C)CC)C1 ZINC001277593359 977815725 /nfs/dbraw/zinc/81/57/25/977815725.db2.gz GGRRVBPJPMFLQM-XFXZXTDPSA-N 1 0 236.359 2.061 20 30 BEEDRO Cc1cc(C[NH+]2CCC(C#N)CC2)cc(C)n1 ZINC001231995215 977827223 /nfs/dbraw/zinc/82/72/23/977827223.db2.gz JBFJKWVRQSXWFS-UHFFFAOYSA-N 1 0 229.327 2.434 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1nccc2c1CCCC2 ZINC001336660373 977836121 /nfs/dbraw/zinc/83/61/21/977836121.db2.gz XEAPNBGWTZSUFZ-CYBMUJFWSA-N 1 0 246.354 2.251 20 30 BEEDRO N#Cc1ncc(Nc2[nH]cc[nH+]2)cc1Cl ZINC001176082011 977876333 /nfs/dbraw/zinc/87/63/33/977876333.db2.gz OKTGTYRGYFXKMJ-UHFFFAOYSA-N 1 0 219.635 2.073 20 30 BEEDRO C#Cc1cc(Nc2[nH]cc[nH+]2)ccc1F ZINC001176084209 977885409 /nfs/dbraw/zinc/88/54/09/977885409.db2.gz GNPMBAOCNDIDRG-UHFFFAOYSA-N 1 0 201.204 2.274 20 30 BEEDRO N#Cc1c(F)c(F)cc(Nc2[nH]cc[nH+]2)c1F ZINC001176090491 977893164 /nfs/dbraw/zinc/89/31/64/977893164.db2.gz HYQKFBWVXOIJIR-UHFFFAOYSA-N 1 0 238.172 2.442 20 30 BEEDRO Cc1cc(Nc2c(O)cccc2C#N)cc(C)[nH+]1 ZINC001176057949 977906587 /nfs/dbraw/zinc/90/65/87/977906587.db2.gz UKDDAUKXTIFGRU-UHFFFAOYSA-N 1 0 239.278 2.441 20 30 BEEDRO COC1(C[N@@H+]2CCC[C@H](CC#N)C2)CCC1 ZINC001336754562 977923050 /nfs/dbraw/zinc/92/30/50/977923050.db2.gz JJMJEWSUZAHWRC-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C=C1CCC1 ZINC001277629980 977935749 /nfs/dbraw/zinc/93/57/49/977935749.db2.gz UFELYTNJFHVBRD-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO CC#CC[N@@H+]1CCc2nc[nH]c2C12CCCCC2 ZINC001176113972 977946245 /nfs/dbraw/zinc/94/62/45/977946245.db2.gz MZJQIZKSWHHINT-UHFFFAOYSA-N 1 0 243.354 2.451 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC001595103833 977954574 /nfs/dbraw/zinc/95/45/74/977954574.db2.gz MUCSAKYPWNNAEY-ZDUSSCGKSA-N 1 0 246.354 2.290 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(SC)nc1 ZINC001232328716 978003534 /nfs/dbraw/zinc/00/35/34/978003534.db2.gz LWCQAWRGHYVTQL-UHFFFAOYSA-N 1 0 208.330 2.421 20 30 BEEDRO C#CC[N@H+](Cc1cc(C#N)ccn1)C(C)(C)C ZINC001176289239 978013688 /nfs/dbraw/zinc/01/36/88/978013688.db2.gz WJBWAJPLNXKFSE-UHFFFAOYSA-N 1 0 227.311 2.187 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(CC#N)CC2)CCO1 ZINC000261074947 978095860 /nfs/dbraw/zinc/09/58/60/978095860.db2.gz QIJLBCZISPPAMK-HIFPTAJRSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)C[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232475754 978126226 /nfs/dbraw/zinc/12/62/26/978126226.db2.gz SKZPHCTXQTWWNK-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO N#Cc1ccnc(C[N@@H+]2CCC23CCCC3)c1 ZINC001232476661 978126892 /nfs/dbraw/zinc/12/68/92/978126892.db2.gz CSCFFHDWLBCFLD-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232476049 978129871 /nfs/dbraw/zinc/12/98/71/978129871.db2.gz WJEZQZZQEFFHHM-LLVKDONJSA-N 1 0 215.300 2.328 20 30 BEEDRO C=C1CCN(c2ccncc2C(=O)OCC)CC1 ZINC001337034385 978136719 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/nfs/dbraw/zinc/50/56/28/978505628.db2.gz RYMRLGOOENCWAY-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc2nccnc2c1 ZINC001178165957 978514543 /nfs/dbraw/zinc/51/45/43/978514543.db2.gz OVZVHNJFPSOJBK-JTQLQIEISA-N 1 0 213.284 2.294 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(OCOC)c1 ZINC001233281659 978529790 /nfs/dbraw/zinc/52/97/90/978529790.db2.gz LEQYUGZLDZWCPQ-UHFFFAOYSA-N 1 0 221.300 2.287 20 30 BEEDRO Cc1cc(C[NH+]2CCC(S)CC2)sn1 ZINC001233312282 978541867 /nfs/dbraw/zinc/54/18/67/978541867.db2.gz JKLJNJOBMGKADB-UHFFFAOYSA-N 1 0 228.386 2.346 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C=C/C2CC2)[C@H]1C ZINC001178418364 978566791 /nfs/dbraw/zinc/56/67/91/978566791.db2.gz PNHXVLDIAGPZOW-FCSZMHKNSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([NH2+]C(C)C)[C@@H]1C ZINC001178805906 978628994 /nfs/dbraw/zinc/62/89/94/978628994.db2.gz OWRYFYOTFCOHDT-STQMWFEESA-N 1 0 238.375 2.330 20 30 BEEDRO CCn1nnc(C)c1C[NH2+]CC(C)(C)CCC#N ZINC001178855661 978632942 /nfs/dbraw/zinc/63/29/42/978632942.db2.gz NOOADQBWDZAQPZ-UHFFFAOYSA-N 1 0 249.362 2.026 20 30 BEEDRO C=CCO[C@H]1CCN(c2cccc(C)n2)C1 ZINC001338243898 978642808 /nfs/dbraw/zinc/64/28/08/978642808.db2.gz MMGACOIXTXEWQZ-LBPRGKRZSA-N 1 0 218.300 2.171 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC)C1 ZINC000722020011 978651420 /nfs/dbraw/zinc/65/14/20/978651420.db2.gz MBJICSLEJIOORJ-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338424242 978678838 /nfs/dbraw/zinc/67/88/38/978678838.db2.gz UMUKMSRXRGILTN-GFCCVEGCSA-N 1 0 211.349 2.414 20 30 BEEDRO C#CC[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC000068989888 978688263 /nfs/dbraw/zinc/68/82/63/978688263.db2.gz XMWHHQYGTVUBGI-SNVBAGLBSA-N 1 0 207.704 2.494 20 30 BEEDRO C#CC[NH2+][C@H](C)Cc1ccccc1Cl ZINC000068989883 978689168 /nfs/dbraw/zinc/68/91/68/978689168.db2.gz RIOCSBUGGMVWLA-SNVBAGLBSA-N 1 0 207.704 2.494 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC001179489992 978708082 /nfs/dbraw/zinc/70/80/82/978708082.db2.gz ZVMBSTZZFVRNBQ-IHRRRGAJSA-N 1 0 221.344 2.095 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc2c(n1)OCCO2 ZINC001233886464 978723536 /nfs/dbraw/zinc/72/35/36/978723536.db2.gz YLWCFUDYZLCFLL-UHFFFAOYSA-N 1 0 248.326 2.251 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(C)(C)[C@H](C)O)cc1 ZINC001179728077 978745457 /nfs/dbraw/zinc/74/54/57/978745457.db2.gz AYFCXYPZGBHPKB-LBPRGKRZSA-N 1 0 231.339 2.165 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(C)=NO)cc2)C1 ZINC001234083831 978769323 /nfs/dbraw/zinc/76/93/23/978769323.db2.gz SGFFLWIHFRCRNN-CQSZACIVSA-N 1 0 248.326 2.358 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)/C(C)=C\C ZINC001277832470 978779985 /nfs/dbraw/zinc/77/99/85/978779985.db2.gz SWDWACSFQOXNHI-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[NH2+]C[C@]1(C)CN(C(C)=O)C[C@H]1C ZINC001180333323 978868447 /nfs/dbraw/zinc/86/84/47/978868447.db2.gz AFXZWPKEWHGQQD-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[NH+]1CCC(Oc2ccccc2C=NO)CC1 ZINC001234822171 978911825 /nfs/dbraw/zinc/91/18/25/978911825.db2.gz LDCPDJJFXMTEHA-UHFFFAOYSA-N 1 0 248.326 2.358 20 30 BEEDRO C=CCCC(C)(C)CNc1nccnc1C[NH3+] ZINC001339794195 978914441 /nfs/dbraw/zinc/91/44/41/978914441.db2.gz UDBWQRDRWMZWMF-UHFFFAOYSA-N 1 0 234.347 2.340 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC001339922614 978940621 /nfs/dbraw/zinc/94/06/21/978940621.db2.gz JMIMQOUKJTULEK-UPJWGTAASA-N 1 0 238.375 2.365 20 30 BEEDRO CC#CCCCC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001277913645 978943732 /nfs/dbraw/zinc/94/37/32/978943732.db2.gz IIEXBPPHMYPEGX-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO CCCCCCCC[C@H]([NH3+])C(=O)N(C)C ZINC001340128391 978974082 /nfs/dbraw/zinc/97/40/82/978974082.db2.gz MHBIUNBLWSDFBI-NSHDSACASA-N 1 0 214.353 2.153 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@](C)(CO)C1 ZINC000151540878 979029298 /nfs/dbraw/zinc/02/92/98/979029298.db2.gz BLCWFKMFIJERRI-AWEZNQCLSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)C[C@@H](C)CC ZINC001235451497 979048346 /nfs/dbraw/zinc/04/83/46/979048346.db2.gz KTVPZSROEQUGKC-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC[N@H+](C)CCCNC(=O)CCC=C ZINC001235463723 979048427 /nfs/dbraw/zinc/04/84/27/979048427.db2.gz BMQRJIIVDVQLSN-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CCCC ZINC001235451759 979049530 /nfs/dbraw/zinc/04/95/30/979049530.db2.gz ORYIHQPDQMDJQD-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CC[C@@H](C)F ZINC001235452203 979049951 /nfs/dbraw/zinc/04/99/51/979049951.db2.gz WRGOUFMZTRTHGL-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO N#CCCCCN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001277948909 979055517 /nfs/dbraw/zinc/05/55/17/979055517.db2.gz PEYNOJFOOOTRIH-UHFFFAOYSA-N 1 0 247.386 2.383 20 30 BEEDRO C[N@H+](Cc1ccccc1CC#N)C1CCOCC1 ZINC001235512032 979061610 /nfs/dbraw/zinc/06/16/10/979061610.db2.gz ORBJHIAMLAEOBU-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC001181371359 979064692 /nfs/dbraw/zinc/06/46/92/979064692.db2.gz ALUTTWJEPUTCAW-WCQYABFASA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001181517779 979158608 /nfs/dbraw/zinc/15/86/08/979158608.db2.gz OYENAKFXLQTQIK-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001181645171 979202470 /nfs/dbraw/zinc/20/24/70/979202470.db2.gz AKPAVPGOKIDZCE-VIFPVBQESA-N 1 0 244.269 2.191 20 30 BEEDRO C=CC[NH2+]CCN(CC)Cc1cccc(OC)c1 ZINC001235962654 979233853 /nfs/dbraw/zinc/23/38/53/979233853.db2.gz OPESGPDJYQLZHQ-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236016257 979302972 /nfs/dbraw/zinc/30/29/72/979302972.db2.gz OXBFIDGPYIRLHB-CHWSQXEVSA-N 1 0 210.365 2.380 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC001341445589 979406523 /nfs/dbraw/zinc/40/65/23/979406523.db2.gz CTTMADVVCMLXSX-JSGCOSHPSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccsc1 ZINC001341467223 979418567 /nfs/dbraw/zinc/41/85/67/979418567.db2.gz UCBLLVVJSYBMAN-JTQLQIEISA-N 1 0 224.329 2.370 20 30 BEEDRO C#Cc1cccc(CN2CC[NH2+][C@@H](CCC)C2)c1 ZINC001236179420 979439651 /nfs/dbraw/zinc/43/96/51/979439651.db2.gz WOAWQEJNGCDTJO-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C)cn1 ZINC001341516250 979447240 /nfs/dbraw/zinc/44/72/40/979447240.db2.gz RIFOAEMLIBLMEF-NSHDSACASA-N 1 0 233.315 2.012 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](CC)CCC ZINC001277980225 979455498 /nfs/dbraw/zinc/45/54/98/979455498.db2.gz TVGXFRCQSJTYGQ-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO N#Cc1cccc(CN2CCC[C@@H]2C[NH3+])c1Cl ZINC001236246973 979467225 /nfs/dbraw/zinc/46/72/25/979467225.db2.gz NLMUJAOHOFQWJK-GFCCVEGCSA-N 1 0 249.745 2.135 20 30 BEEDRO N#Cc1ccc(CN2CCC[C@@H]2C[NH3+])cc1Cl ZINC001236247272 979468828 /nfs/dbraw/zinc/46/88/28/979468828.db2.gz QKAFLIQYQNRJIK-GFCCVEGCSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CC[NH2+]CCN(C)CCc1cccc(F)c1 ZINC001236265688 979483003 /nfs/dbraw/zinc/48/30/03/979483003.db2.gz JWJBPXJUMHOQFQ-UHFFFAOYSA-N 1 0 236.334 2.076 20 30 BEEDRO C=CCCCCCCCN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236283643 979486904 /nfs/dbraw/zinc/48/69/04/979486904.db2.gz HLCLUFBJNIECGY-KGLIPLIRSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1O ZINC001341690167 979527811 /nfs/dbraw/zinc/52/78/11/979527811.db2.gz USRLDFMGFXTXNN-NSHDSACASA-N 1 0 248.326 2.323 20 30 BEEDRO C=CCCCCCN(CCOC)[C@H]1CC[NH2+]C1 ZINC001236333261 979536655 /nfs/dbraw/zinc/53/66/55/979536655.db2.gz JVINYZOHOGDYTP-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO N#Cc1ccc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001236349093 979550630 /nfs/dbraw/zinc/55/06/30/979550630.db2.gz STFSLJYGDFIUMA-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)CCCC[NH3+] ZINC001341789525 979561532 /nfs/dbraw/zinc/56/15/32/979561532.db2.gz YQPFHRRJZNZFCH-NEPJUHHUSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC001341849196 979575287 /nfs/dbraw/zinc/57/52/87/979575287.db2.gz UNCJOFLTUYJGIP-GHMZBOCLSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC001182932025 979688154 /nfs/dbraw/zinc/68/81/54/979688154.db2.gz BQUBRFFOIQPHEH-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO Oc1cc(C[NH+]2CCC(S)CC2)ccc1F ZINC001236712086 979706374 /nfs/dbraw/zinc/70/63/74/979706374.db2.gz ZDCCKKGVUBAMCS-UHFFFAOYSA-N 1 0 241.331 2.426 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H]1CC[C@H](CCC(C)C)C1 ZINC001183103052 979734474 /nfs/dbraw/zinc/73/44/74/979734474.db2.gz IXAIAUCDTSCDSH-BFHYXJOUSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC001342257636 979734897 /nfs/dbraw/zinc/73/48/97/979734897.db2.gz BUXSMPFOOAKPJB-UKRRQHHQSA-N 1 0 248.370 2.095 20 30 BEEDRO C#C[C@H](CC)OC(=O)c1ccc2c[nH+]cn2c1C ZINC001342592468 979834954 /nfs/dbraw/zinc/83/49/54/979834954.db2.gz MLYZVNMZAOTSPX-GFCCVEGCSA-N 1 0 242.278 2.211 20 30 BEEDRO CC(C)([NH3+])CC(=O)Nc1ccc(CCC#N)cc1 ZINC001342599495 979839439 /nfs/dbraw/zinc/83/94/39/979839439.db2.gz YOVIBMGSDBQQQT-UHFFFAOYSA-N 1 0 245.326 2.209 20 30 BEEDRO C#CC[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1C ZINC001342655543 979854374 /nfs/dbraw/zinc/85/43/74/979854374.db2.gz FKBZOQPEYJBUGT-JTQLQIEISA-N 1 0 242.278 2.211 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CCC)C[C@H]1C ZINC001183721589 979876060 /nfs/dbraw/zinc/87/60/60/979876060.db2.gz CNQFUDQTIGFJIU-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC001342734459 979882661 /nfs/dbraw/zinc/88/26/61/979882661.db2.gz XKODITVZXVCTDH-ZIAGYGMSSA-N 1 0 246.354 2.056 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC001342777824 979892632 /nfs/dbraw/zinc/89/26/32/979892632.db2.gz DZIIGLRBZQVXII-FRRDWIJNSA-N 1 0 227.348 2.125 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccnc(C#N)c2)C2(CC2)C1 ZINC001237469329 979894903 /nfs/dbraw/zinc/89/49/03/979894903.db2.gz RRMVYBVAMRYMEY-NSHDSACASA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1cc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)ccn1 ZINC001237463061 979907504 /nfs/dbraw/zinc/90/75/04/979907504.db2.gz OLFYNXKIDMMUQH-PWSUYJOCSA-N 1 0 249.264 2.040 20 30 BEEDRO C=CCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC001237489915 979916490 /nfs/dbraw/zinc/91/64/90/979916490.db2.gz NZLYEYLDDUKCQH-UHFFFAOYSA-N 1 0 246.354 2.004 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccn3nccc3c2)C1 ZINC001237542459 979935549 /nfs/dbraw/zinc/93/55/49/979935549.db2.gz LTMUPPARIOSTMU-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237609344 979971820 /nfs/dbraw/zinc/97/18/20/979971820.db2.gz PWPXJTBOTGRRMU-LLVKDONJSA-N 1 0 240.310 2.048 20 30 BEEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001184278567 980008904 /nfs/dbraw/zinc/00/89/04/980008904.db2.gz TVSFFIBNPABJGQ-QWHCGFSZSA-N 1 0 236.359 2.331 20 30 BEEDRO CC(C)[C@H]1CC[C@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001184278562 980009507 /nfs/dbraw/zinc/00/95/07/980009507.db2.gz TVSFFIBNPABJGQ-CHWSQXEVSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C)CC1 ZINC001343206965 980040000 /nfs/dbraw/zinc/04/00/00/980040000.db2.gz ZIRKZJQGJXSVOQ-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001343309733 980066066 /nfs/dbraw/zinc/06/60/66/980066066.db2.gz SINAALMPYOSNCV-GFCCVEGCSA-N 1 0 239.322 2.198 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C)n2)C1 ZINC001237820643 980071648 /nfs/dbraw/zinc/07/16/48/980071648.db2.gz OTFFPXRZWPFZDU-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@]12CCN(CC=C)C2=O ZINC001273486880 980096568 /nfs/dbraw/zinc/09/65/68/980096568.db2.gz QMVWYPFXXHCVMB-OAHLLOKOSA-N 1 0 248.370 2.206 20 30 BEEDRO C#CCN(C)Cc1[nH]nc2cc(Cl)ccc21 ZINC001237996980 980126302 /nfs/dbraw/zinc/12/63/02/980126302.db2.gz ADYCZCXQJFEEID-UHFFFAOYSA-N 1 0 233.702 2.281 20 30 BEEDRO C=C1CC(C)(C(=O)Nc2c[nH+]ccc2N(C)C)C1 ZINC001184780009 980129816 /nfs/dbraw/zinc/12/98/16/980129816.db2.gz DFXNXINMWJUOOP-UHFFFAOYSA-N 1 0 245.326 2.442 20 30 BEEDRO N#Cc1c(F)cc(CC[NH+]2CCCC2)cc1F ZINC001250166876 980130436 /nfs/dbraw/zinc/13/04/36/980130436.db2.gz UFEJJLJMABDDIV-UHFFFAOYSA-N 1 0 236.265 2.475 20 30 BEEDRO N#CC1CCN(Cc2cccc3c[nH+]cn32)CC1 ZINC001238104058 980149453 /nfs/dbraw/zinc/14/94/53/980149453.db2.gz RLZGMBHSRIGWSX-UHFFFAOYSA-N 1 0 240.310 2.070 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001184953476 980156086 /nfs/dbraw/zinc/15/60/86/980156086.db2.gz GALMCVGERRNQDD-UKRRQHHQSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C/C(C)=C/CC(=O)N1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC001184983059 980157170 /nfs/dbraw/zinc/15/71/70/980157170.db2.gz XWWFNNQKFFLGBH-YGLIYXGISA-N 1 0 248.370 2.275 20 30 BEEDRO Cc1ccc(O)cc1CN1CC[C@@H](C#N)C1 ZINC001238107030 980157555 /nfs/dbraw/zinc/15/75/55/980157555.db2.gz PIXPGWBHBDOSKJ-NSHDSACASA-N 1 0 216.284 2.046 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238112167 980163309 /nfs/dbraw/zinc/16/33/09/980163309.db2.gz BOUMQTBHGNVBDR-CQSZACIVSA-N 1 0 240.310 2.070 20 30 BEEDRO C[N@H+](CCNc1cc(F)ccc1C#N)C1CC1 ZINC001185046839 980165621 /nfs/dbraw/zinc/16/56/21/980165621.db2.gz VMHPUFCFMLHABA-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO N#C[C@@H]1CCCCN1Cc1cccc2c[nH+]cn21 ZINC001238117643 980166260 /nfs/dbraw/zinc/16/62/60/980166260.db2.gz CYTRIABZXMOFPY-LBPRGKRZSA-N 1 0 240.310 2.212 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@]12CCN(C)C2=O ZINC001273499809 980195573 /nfs/dbraw/zinc/19/55/73/980195573.db2.gz DNKUHCRYASPUMB-CQSZACIVSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CCC)[C@H]1C ZINC001278213683 980231850 /nfs/dbraw/zinc/23/18/50/980231850.db2.gz OZCPRFFVOLGJSF-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO COCC#CCN(C)Cc1cc(F)cc(F)c1 ZINC001343832704 980251600 /nfs/dbraw/zinc/25/16/00/980251600.db2.gz UBXQBLXIWATEDB-UHFFFAOYSA-N 1 0 239.265 2.046 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001343862073 980256031 /nfs/dbraw/zinc/25/60/31/980256031.db2.gz IUZWQPDGDUVAMY-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CCO[C@@H](C)C1 ZINC001343959315 980291615 /nfs/dbraw/zinc/29/16/15/980291615.db2.gz GGDXDCJZPYCXFP-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC001343987587 980306917 /nfs/dbraw/zinc/30/69/17/980306917.db2.gz UOTQSBQOKCPRLR-NWDGAFQWSA-N 1 0 226.364 2.222 20 30 BEEDRO CCc1cc(C[N@@H+]2C[C@H](O)C[C@H]2C)ccc1C#N ZINC001238767415 980322597 /nfs/dbraw/zinc/32/25/97/980322597.db2.gz UVFOQKNCIWDLKI-IAQYHMDHSA-N 1 0 244.338 2.076 20 30 BEEDRO Cc1ccc(C#N)nc1C1=CCC[NH2+]CC1 ZINC001238937889 980372973 /nfs/dbraw/zinc/37/29/73/980372973.db2.gz DXNBHQSKUPEXAP-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO Cc1nc(C2=CCC[NH2+]CC2)ccc1C#N ZINC001238939689 980377550 /nfs/dbraw/zinc/37/75/50/980377550.db2.gz XXXSZHYNRJTSRV-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@H]2CC[C@@H](C)C2)CC1 ZINC001344372670 980380002 /nfs/dbraw/zinc/38/00/02/980380002.db2.gz BHGRXSCTCCTAHN-OLZOCXBDSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@H](C)C2CCC2)CC1 ZINC001344373062 980380317 /nfs/dbraw/zinc/38/03/17/980380317.db2.gz IMQKSYBOSRPESI-GFCCVEGCSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(CC)CC)C1 ZINC001186621835 980414112 /nfs/dbraw/zinc/41/41/12/980414112.db2.gz BMONMZZYGRTHPR-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C\CC)[C@@H]2C1 ZINC001187093752 980479134 /nfs/dbraw/zinc/47/91/34/980479134.db2.gz XDMBURLEOJCASP-PJWHXWNJSA-N 1 0 248.370 2.061 20 30 BEEDRO C#CCC1(OC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001344869655 980489352 /nfs/dbraw/zinc/48/93/52/980489352.db2.gz DORNGZZOSUFWLA-CYBMUJFWSA-N 1 0 249.354 2.348 20 30 BEEDRO CCCCCCC[C@H](C)NC(=O)NC[C@H](C)[NH3+] ZINC001239204525 980497016 /nfs/dbraw/zinc/49/70/16/980497016.db2.gz GPQKSLNQXFOJKI-RYUDHWBXSA-N 1 0 243.395 2.382 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001239222347 980498352 /nfs/dbraw/zinc/49/83/52/980498352.db2.gz FDWFWWNZWGCPCV-HAQNSBGRSA-N 1 0 241.379 2.136 20 30 BEEDRO CCCCCCCNC(=O)NCCC(C)(C)[NH3+] ZINC001239230211 980498897 /nfs/dbraw/zinc/49/88/97/980498897.db2.gz NISPSWNESZKXBP-UHFFFAOYSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCNC(=O)NC1(CC)C[NH2+]C1 ZINC001239227110 980499811 /nfs/dbraw/zinc/49/98/11/980499811.db2.gz CMVCYNOBYZBCJL-UHFFFAOYSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCCNC(=O)N1CC(C)([NH3+])C1 ZINC001239259317 980506933 /nfs/dbraw/zinc/50/69/33/980506933.db2.gz MNQAINLWWPFSPQ-UHFFFAOYSA-N 1 0 241.379 2.090 20 30 BEEDRO CCCCCCCOC(=O)NCC(C)(C)[NH3+] ZINC001239317392 980516514 /nfs/dbraw/zinc/51/65/14/980516514.db2.gz XTIBAVHNBQFWNL-UHFFFAOYSA-N 1 0 230.352 2.420 20 30 BEEDRO CCCCCCCCOC(=O)N1CC([NH2+]C)C1 ZINC001239327236 980534467 /nfs/dbraw/zinc/53/44/67/980534467.db2.gz TUELHBVIHNMAON-UHFFFAOYSA-N 1 0 242.363 2.387 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccccc1NC ZINC001345097931 980547195 /nfs/dbraw/zinc/54/71/95/980547195.db2.gz OLORPQRKQBFBJU-LBPRGKRZSA-N 1 0 220.316 2.019 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCOC12CCCC2 ZINC001345122011 980555469 /nfs/dbraw/zinc/55/54/69/980555469.db2.gz LMIFDDGQSQPTJY-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCCCN(CC)C(=O)CC[NH2+]CC1CC1 ZINC001345603813 980644292 /nfs/dbraw/zinc/64/42/92/980644292.db2.gz UROVWIVMMCVDDZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC)C1 ZINC001188520604 980653780 /nfs/dbraw/zinc/65/37/80/980653780.db2.gz USSVSAGWZHNTOJ-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1nc2c(s1)CCC2 ZINC000775183015 980678897 /nfs/dbraw/zinc/67/88/97/980678897.db2.gz FVBMOWNRGJEJRB-SECBINFHSA-N 1 0 220.341 2.085 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001188676053 980687303 /nfs/dbraw/zinc/68/73/03/980687303.db2.gz QDZXGFXSRQGDMJ-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001345875978 980703344 /nfs/dbraw/zinc/70/33/44/980703344.db2.gz RYHMJZPCFZFSLZ-REWJHTLYSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001188925374 980718274 /nfs/dbraw/zinc/71/82/74/980718274.db2.gz MHIDGZNONZJYJM-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CCCC)C1 ZINC001189317998 980771620 /nfs/dbraw/zinc/77/16/20/980771620.db2.gz GWPWYCVTXVIOBE-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1cncnc1C#N ZINC001239681766 980841088 /nfs/dbraw/zinc/84/10/88/980841088.db2.gz QYYTXMUSNCRUNG-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc(CC)c1O ZINC001346541296 980857381 /nfs/dbraw/zinc/85/73/81/980857381.db2.gz UKAMSOFLBPRTDB-ZDUSSCGKSA-N 1 0 235.327 2.245 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001190388237 980868062 /nfs/dbraw/zinc/86/80/62/980868062.db2.gz LZUCMWXYNOZKMB-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001190423500 980872902 /nfs/dbraw/zinc/87/29/02/980872902.db2.gz PWDNWLUABGBWHU-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001190435498 980873952 /nfs/dbraw/zinc/87/39/52/980873952.db2.gz FSJGEUSVSUWWFX-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO Cc1cc(-c2cncc(C[NH3+])c2)nc(C)c1C#N ZINC001239790533 980928941 /nfs/dbraw/zinc/92/89/41/980928941.db2.gz LZORUGWHHJWCDZ-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO N#CCc1ccc(-c2cncc(C[NH3+])c2)cc1C#N ZINC001239799632 980937763 /nfs/dbraw/zinc/93/77/63/980937763.db2.gz ZGOJKKLFSQRNMH-UHFFFAOYSA-N 1 0 248.289 2.145 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001191056553 980960629 /nfs/dbraw/zinc/96/06/29/980960629.db2.gz DLRPZEWUYYZFFG-LSDHHAIUSA-N 1 0 234.387 2.349 20 30 BEEDRO C=C[C@H](C(=O)N[C@@H](C)C[NH+](C)C)c1ccccc1 ZINC001347065225 980962017 /nfs/dbraw/zinc/96/20/17/980962017.db2.gz DEEQZHRNGZSDRA-JSGCOSHPSA-N 1 0 246.354 2.023 20 30 BEEDRO CCC#C[C@@H](C)N(C)Cc1cnn(CC)c1 ZINC001191069359 980963139 /nfs/dbraw/zinc/96/31/39/980963139.db2.gz HGFLWMZKCUGQAV-GFCCVEGCSA-N 1 0 219.332 2.137 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC001347122258 980981490 /nfs/dbraw/zinc/98/14/90/980981490.db2.gz XNSUCCCQWSDFNI-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC001347192347 981008784 /nfs/dbraw/zinc/00/87/84/981008784.db2.gz CQNYPAZZGSXPOM-RHSMWYFYSA-N 1 0 249.379 2.171 20 30 BEEDRO N#Cc1c(F)cc(-c2ccc(C[NH3+])nc2)cc1F ZINC001239921008 981033560 /nfs/dbraw/zinc/03/35/60/981033560.db2.gz RCTZIRUCFKOROU-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110437697 981034612 /nfs/dbraw/zinc/03/46/12/981034612.db2.gz ZCZGUTZQLINKDO-YQUHTDHPSA-N 1 0 248.370 2.250 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)CCC2(C)CC2)CC1 ZINC001347392712 981067042 /nfs/dbraw/zinc/06/70/42/981067042.db2.gz XWRRDZNQBZLNKV-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001191790223 981088846 /nfs/dbraw/zinc/08/88/46/981088846.db2.gz LBWJALCSZASJDG-LVOZBFFPSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001191891077 981097072 /nfs/dbraw/zinc/09/70/72/981097072.db2.gz WZIJQULBFMORAE-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC001347583492 981123159 /nfs/dbraw/zinc/12/31/59/981123159.db2.gz KVEPRWCHGBWRDW-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO N#Cc1ccc(-c2c[nH+]ccc2N)cc1F ZINC001240151833 981150106 /nfs/dbraw/zinc/15/01/06/981150106.db2.gz KTIDXGKPDAJABY-UHFFFAOYSA-N 1 0 213.215 2.172 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@]1(C)O ZINC001203757942 981162690 /nfs/dbraw/zinc/16/26/90/981162690.db2.gz XJDXABJBAVZIDP-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(CC)o1 ZINC001348111442 981283740 /nfs/dbraw/zinc/28/37/40/981283740.db2.gz WKKQKRFSEZTSBQ-GFCCVEGCSA-N 1 0 235.327 2.360 20 30 BEEDRO C#Cc1ccc(N[C@H](C)C[N@H+](C)C(C)C)nc1 ZINC001348183319 981304455 /nfs/dbraw/zinc/30/44/55/981304455.db2.gz GSJMVLLEJDBYMZ-GFCCVEGCSA-N 1 0 231.343 2.204 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CNc1cccc(CC#N)n1 ZINC001348378099 981348160 /nfs/dbraw/zinc/34/81/60/981348160.db2.gz JJYKPWZNNFKAPV-ZDUSSCGKSA-N 1 0 244.342 2.044 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC001348386479 981350093 /nfs/dbraw/zinc/35/00/93/981350093.db2.gz HBZOWZPSBQARKA-UPJWGTAASA-N 1 0 223.360 2.439 20 30 BEEDRO N#Cc1cc(-c2cc(C[NH3+])ncn2)ccc1Cl ZINC001240399013 981354090 /nfs/dbraw/zinc/35/40/90/981354090.db2.gz IRTLHENAQLJMGI-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO C[C@H](C[NH+]1CCC(C#N)CC1)C(F)(F)F ZINC000336173392 981390114 /nfs/dbraw/zinc/39/01/14/981390114.db2.gz GYLZBCIORJTJFE-MRVPVSSYSA-N 1 0 220.238 2.420 20 30 BEEDRO N#Cc1cc(-c2ccc3c(c2)CC[NH2+]C3)ccn1 ZINC001240455588 981392289 /nfs/dbraw/zinc/39/22/89/981392289.db2.gz XJJMEEITYWUMLK-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO N#CCc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001240455982 981393135 /nfs/dbraw/zinc/39/31/35/981393135.db2.gz SKQWHJGQZPKVJU-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#CCc1cccc(C2=CC[NH2+]CC2)c1F ZINC001240467962 981403656 /nfs/dbraw/zinc/40/36/56/981403656.db2.gz VEXRSBGLTJYKCO-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO Cc1cc(CC#N)ccc1C1=CC[NH2+]CC1 ZINC001240468948 981405024 /nfs/dbraw/zinc/40/50/24/981405024.db2.gz NTLAIIDSOQZCEH-UHFFFAOYSA-N 1 0 212.296 2.438 20 30 BEEDRO N#CCc1ccc(F)c(C2=CC[NH2+]CC2)c1 ZINC001240468857 981405942 /nfs/dbraw/zinc/40/59/42/981405942.db2.gz LTZUXGBDFDZMEZ-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC001348850734 981457987 /nfs/dbraw/zinc/45/79/87/981457987.db2.gz RQSRGWHNZQPFHK-JHJVBQTASA-N 1 0 241.375 2.371 20 30 BEEDRO N#Cc1c(F)cc(C2=CCC[NH2+]C2)cc1F ZINC001240665038 981575994 /nfs/dbraw/zinc/57/59/94/981575994.db2.gz RHLQMJAUJNFAJM-UHFFFAOYSA-N 1 0 220.222 2.213 20 30 BEEDRO COc1cc(C2=CCC[NH2+]C2)cc(F)c1C#N ZINC001240670889 981582881 /nfs/dbraw/zinc/58/28/81/981582881.db2.gz OFZFWMRSRAFREL-UHFFFAOYSA-N 1 0 232.258 2.083 20 30 BEEDRO C#CC[N@@H+](C[C@@H](C)CCC#N)CC1CC1 ZINC001349599010 981590990 /nfs/dbraw/zinc/59/09/90/981590990.db2.gz GNFWGIHBWFMZQH-LBPRGKRZSA-N 1 0 204.317 2.271 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)CCC#N)CC1CC1 ZINC001349598993 981591266 /nfs/dbraw/zinc/59/12/66/981591266.db2.gz GNFWGIHBWFMZQH-GFCCVEGCSA-N 1 0 204.317 2.271 20 30 BEEDRO C=CCOC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001194305053 981642354 /nfs/dbraw/zinc/64/23/54/981642354.db2.gz YQJHDDJWZMHRPE-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCOC(=O)NCC[NH+](C(C)C)C(C)C ZINC001194327858 981679212 /nfs/dbraw/zinc/67/92/12/981679212.db2.gz ANRWCUSFZYEPNR-UHFFFAOYSA-N 1 0 228.336 2.017 20 30 BEEDRO C=CCOC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC001194349258 981713822 /nfs/dbraw/zinc/71/38/22/981713822.db2.gz GJFSXGWRVXPGBE-UHFFFAOYSA-N 1 0 240.347 2.019 20 30 BEEDRO C=CCOC(=O)N[C@@H](C)CCC[NH+](CC)CC ZINC001194334194 981760506 /nfs/dbraw/zinc/76/05/06/981760506.db2.gz CTPPWHKNZCSHJK-LBPRGKRZSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCOC(=O)NCCCC1CC[NH+](C)CC1 ZINC001194343518 981780221 /nfs/dbraw/zinc/78/02/21/981780221.db2.gz XNTLYBCXPYUROG-UHFFFAOYSA-N 1 0 240.347 2.021 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](O)[C@@H]1C ZINC001194383269 981786772 /nfs/dbraw/zinc/78/67/72/981786772.db2.gz BATHTYNXTNNSKX-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC001350330221 981931682 /nfs/dbraw/zinc/93/16/82/981931682.db2.gz TUDLPFHVMXXYJE-WFASDCNBSA-N 1 0 249.329 2.121 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)CCCCC)CC1 ZINC001194856303 981937486 /nfs/dbraw/zinc/93/74/86/981937486.db2.gz PJAVSHPOPJFJPZ-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC001350441850 981974267 /nfs/dbraw/zinc/97/42/67/981974267.db2.gz WMAQYVBQNIDHBY-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccc(C)c(N)c1 ZINC001240960831 982032837 /nfs/dbraw/zinc/03/28/37/982032837.db2.gz NZZFAZAYHAPMQA-WYMLVPIESA-N 1 0 204.273 2.156 20 30 BEEDRO C=C(C)CN(CC)C(=O)C1([NH+](C)C)CCCC1 ZINC001587670292 982088839 /nfs/dbraw/zinc/08/88/39/982088839.db2.gz HEZNMXPAYZNIGK-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC001350965226 982137619 /nfs/dbraw/zinc/13/76/19/982137619.db2.gz NOGXSMHFAKLPKK-QNWHQSFQSA-N 1 0 207.317 2.132 20 30 BEEDRO COC1([C@H](C)[NH2+]Cc2cc(C#N)ccn2)CCC1 ZINC001195195624 982147916 /nfs/dbraw/zinc/14/79/16/982147916.db2.gz CXWXKQYWTUPBIC-NSHDSACASA-N 1 0 245.326 2.000 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001351328550 982286224 /nfs/dbraw/zinc/28/62/24/982286224.db2.gz FYHZWJKWISSWJC-IXOXFDKPSA-N 1 0 209.333 2.212 20 30 BEEDRO Cc1ccccc1C[C@@H](C)[N@H+](C)C[C@H](O)CC#N ZINC001351410766 982313125 /nfs/dbraw/zinc/31/31/25/982313125.db2.gz DLXSHQSAPGZUNC-UKRRQHHQSA-N 1 0 246.354 2.132 20 30 BEEDRO N#Cc1cc(-c2cccc(C[NH3+])c2)ccn1 ZINC001241190292 982336322 /nfs/dbraw/zinc/33/63/22/982336322.db2.gz CFYVIZKBJCBFLN-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO N#Cc1cc(-c2ccccc2CC[NH3+])ccn1 ZINC001241193781 982345914 /nfs/dbraw/zinc/34/59/14/982345914.db2.gz WWULQCFFOVYZRQ-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001351904608 982407420 /nfs/dbraw/zinc/40/74/20/982407420.db2.gz DGDZTHAUTXNZMN-TUAOUCFPSA-N 1 0 238.375 2.329 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001351904606 982408015 /nfs/dbraw/zinc/40/80/15/982408015.db2.gz DGDZTHAUTXNZMN-GRYCIOLGSA-N 1 0 238.375 2.329 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(OCC)o1 ZINC001352007553 982435805 /nfs/dbraw/zinc/43/58/05/982435805.db2.gz YSQXLVVCAGRNGT-UHFFFAOYSA-N 1 0 239.315 2.361 20 30 BEEDRO C=CCOc1cc(C)nc(C2=CC[N@H+](C)CC2)n1 ZINC001241308572 982450136 /nfs/dbraw/zinc/45/01/36/982450136.db2.gz LDGLZFOPPUBXOS-UHFFFAOYSA-N 1 0 245.326 2.069 20 30 BEEDRO CN(C)c1cc[nH+]c(-c2ccc(C#N)nc2)c1 ZINC001241415070 982563240 /nfs/dbraw/zinc/56/32/40/982563240.db2.gz HCSWOSNWIBHNRP-UHFFFAOYSA-N 1 0 224.267 2.081 20 30 BEEDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(C#N)cc2)C1 ZINC001205805504 982566720 /nfs/dbraw/zinc/56/67/20/982566720.db2.gz QPHYFGGYLKYZTJ-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO N#Cc1ccc(-c2ccc3c[nH+]cn3c2)cn1 ZINC001241428048 982580098 /nfs/dbraw/zinc/58/00/98/982580098.db2.gz DTKXLEUUYOXLLS-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ccc(C#N)nc2)cc1 ZINC001241434454 982587297 /nfs/dbraw/zinc/58/72/97/982587297.db2.gz UQZIJXAWAKBRPM-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC001352840496 982600283 /nfs/dbraw/zinc/60/02/83/982600283.db2.gz VPSQXVAQBRNSES-HUUCEWRRSA-N 1 0 247.313 2.263 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C1CCCCCC1 ZINC001480433701 982665868 /nfs/dbraw/zinc/66/58/68/982665868.db2.gz VPYYXEXLDRDJBR-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@]1(C)O ZINC001203900274 982682904 /nfs/dbraw/zinc/68/29/04/982682904.db2.gz XHRQHSFHZLONNP-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1CC1(C)COC1 ZINC001198406856 982707650 /nfs/dbraw/zinc/70/76/50/982707650.db2.gz NOHGHFBUTYSCKV-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@H](C[NH2+]C[C@H](C#N)CCC#N)CC(F)F ZINC001353245261 982799988 /nfs/dbraw/zinc/79/99/88/982799988.db2.gz DZSZAMSGANHYOL-UWVGGRQHSA-N 1 0 229.274 2.311 20 30 BEEDRO Cc1cc(C2=CCC[N@@H+](C)C2)nc(C)c1C#N ZINC001241568153 982813122 /nfs/dbraw/zinc/81/31/22/982813122.db2.gz BVDMPZASPSTBQW-UHFFFAOYSA-N 1 0 227.311 2.289 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ncccc1C ZINC001198642149 982816217 /nfs/dbraw/zinc/81/62/17/982816217.db2.gz WHBQLAMEFQCQRD-LBPRGKRZSA-N 1 0 220.316 2.243 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001480533538 982958892 /nfs/dbraw/zinc/95/88/92/982958892.db2.gz WDCTVLWVWACZFU-OCCSQVGLSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)CCC(=C)C)C1 ZINC001100371044 982968045 /nfs/dbraw/zinc/96/80/45/982968045.db2.gz NFBOJRMVGVZQKJ-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CCC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001353713162 982978084 /nfs/dbraw/zinc/97/80/84/982978084.db2.gz CKJIFCLROZFTCA-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)C=C(C)C ZINC001273824243 983079780 /nfs/dbraw/zinc/07/97/80/983079780.db2.gz XHJLSHHQEHOSFQ-FPLPWBNLSA-N 1 0 236.359 2.181 20 30 BEEDRO N#CCc1cccnc1-c1ccc(C[NH3+])cc1 ZINC001241911462 983125851 /nfs/dbraw/zinc/12/58/51/983125851.db2.gz LZYBBROTRJMMOO-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO Cc1cnc(-c2ccc(C[NH3+])cc2)cc1C#N ZINC001241912298 983127852 /nfs/dbraw/zinc/12/78/52/983127852.db2.gz BWRFIHQWQMOSOR-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1cnc(-c2ccc(C[NH3+])cc2)c(/C=N/O)c1 ZINC001241912161 983128180 /nfs/dbraw/zinc/12/81/80/983128180.db2.gz IRKWUCVVFWCQGF-RQZCQDPDSA-N 1 0 241.294 2.324 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001201407053 983204397 /nfs/dbraw/zinc/20/43/97/983204397.db2.gz IVOGXUYZZBRTLL-SNVBAGLBSA-N 1 0 228.299 2.136 20 30 BEEDRO N#CCc1ncccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242026149 983238488 /nfs/dbraw/zinc/23/84/88/983238488.db2.gz MOWSZDKSTOOXAA-NEPJUHHUSA-N 1 0 225.295 2.055 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@@H]3C[C@@H]32)CC1 ZINC001354460708 983308101 /nfs/dbraw/zinc/30/81/01/983308101.db2.gz REDSUTWFHFKXEM-TUUUFIMRSA-N 1 0 204.317 2.411 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC1CC([NH2+]CC)C1 ZINC001100597223 983320557 /nfs/dbraw/zinc/32/05/57/983320557.db2.gz QKRBLJFFURWIFX-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCCC[C@@H]1C(=O)OC)C1CC1 ZINC001354611087 983331863 /nfs/dbraw/zinc/33/18/63/983331863.db2.gz DLLXBVWEEBSPNH-JSGCOSHPSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCCC(=O)NCC1CC([NH2+]CCC)C1 ZINC001100624374 983336409 /nfs/dbraw/zinc/33/64/09/983336409.db2.gz ILJWAIQWKCNOFQ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C(C)(C)CC)C1 ZINC001100624233 983337074 /nfs/dbraw/zinc/33/70/74/983337074.db2.gz AGMPAVJFHHHYAK-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CC[NH2+]C)C(C)C ZINC001354865161 983378578 /nfs/dbraw/zinc/37/85/78/983378578.db2.gz OLOPDOPUCFEURI-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO Cc1ccnc(N(C)CCCC[NH+](C)C)c1C#N ZINC001472869116 983383526 /nfs/dbraw/zinc/38/35/26/983383526.db2.gz MLVBIFHKRCKXDK-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO CSCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201680695 983389760 /nfs/dbraw/zinc/38/97/60/983389760.db2.gz LIFZHYWUHKNRNI-SNVBAGLBSA-N 1 0 243.397 2.014 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001201761519 983467548 /nfs/dbraw/zinc/46/75/48/983467548.db2.gz HLQZEMVRYZPIGW-RYUDHWBXSA-N 1 0 217.328 2.362 20 30 BEEDRO CCCCCCC[NH+]1CC(N2CC(F)C2)C1 ZINC001201761906 983467814 /nfs/dbraw/zinc/46/78/14/983467814.db2.gz VAWRDTQXLHZFQI-UHFFFAOYSA-N 1 0 228.355 2.295 20 30 BEEDRO CCCCCCCC[N@@H+]1CCOC[C@](C)(O)C1 ZINC001201804854 983480937 /nfs/dbraw/zinc/48/09/37/983480937.db2.gz VCYARPZERVRYRS-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)C2=O ZINC001201804849 983481394 /nfs/dbraw/zinc/48/13/94/983481394.db2.gz UUSWUUHPXKQOTM-BETUJISGSA-N 1 0 239.359 2.104 20 30 BEEDRO CCCCCCC[N@H+](C)CCC(=O)N(C)C ZINC001201788066 983485713 /nfs/dbraw/zinc/48/57/13/983485713.db2.gz VNSUPCSZPTYSQR-UHFFFAOYSA-N 1 0 228.380 2.367 20 30 BEEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2C(C)C ZINC001273922209 983534281 /nfs/dbraw/zinc/53/42/81/983534281.db2.gz PBMGLCZZUQVRTO-CHWSQXEVSA-N 1 0 236.359 2.036 20 30 BEEDRO N#Cc1ncccc1-c1cccc(C[NH3+])c1 ZINC001242310113 983536980 /nfs/dbraw/zinc/53/69/80/983536980.db2.gz UDCCAPXJIALNII-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO C[NH+](C)Cc1ccnc(-c2cccnc2C#N)c1 ZINC001242311381 983541647 /nfs/dbraw/zinc/54/16/47/983541647.db2.gz MOBUABZATPBIHC-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)C ZINC001356582075 983634061 /nfs/dbraw/zinc/63/40/61/983634061.db2.gz AJNPXGKFWOQPPG-GHMZBOCLSA-N 1 0 207.321 2.454 20 30 BEEDRO Cc1cc(-c2ccc(C[NH3+])cc2)cnc1C#N ZINC001242355041 983637244 /nfs/dbraw/zinc/63/72/44/983637244.db2.gz FVZFSVLDIRSRCX-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1cnc(-c2cnc(C#N)c(C)c2)c(C[NH3+])c1 ZINC001242355482 983638503 /nfs/dbraw/zinc/63/85/03/983638503.db2.gz YAYQHAAICAUMTA-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO Cc1cc(-c2cccc(CC[NH3+])c2)cnc1C#N ZINC001242358668 983644489 /nfs/dbraw/zinc/64/44/89/983644489.db2.gz NGAGWUGCKZSXGI-UHFFFAOYSA-N 1 0 237.306 2.430 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]CC1(C#N)CCCC1 ZINC001252106760 983647389 /nfs/dbraw/zinc/64/73/89/983647389.db2.gz QCDVFHQKYVUZJK-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](CC)Cc1ccccc1 ZINC001252451037 983780403 /nfs/dbraw/zinc/78/04/03/983780403.db2.gz LAPNYINZQMYARX-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO Cc1cc(C#N)cc(-c2cc(C[NH3+])ccn2)c1 ZINC001242475865 983801996 /nfs/dbraw/zinc/80/19/96/983801996.db2.gz RTOHOPYJYBQLQB-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1 ZINC001252538453 983805293 /nfs/dbraw/zinc/80/52/93/983805293.db2.gz HDKGHVQMLRBGAH-CYBMUJFWSA-N 1 0 205.301 2.022 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001252548845 983813968 /nfs/dbraw/zinc/81/39/68/983813968.db2.gz WGSOPLRCEXOQAL-CABCVRRESA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CC)c1ncccc1C ZINC001252573535 983829368 /nfs/dbraw/zinc/82/93/68/983829368.db2.gz FVNRMMMWXAONJE-GXTWGEPZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)COc1ccccc1C ZINC001252575777 983829375 /nfs/dbraw/zinc/82/93/75/983829375.db2.gz FUHUAMCDCFINBO-HIFRSBDPSA-N 1 0 249.354 2.289 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001252575984 983830843 /nfs/dbraw/zinc/83/08/43/983830843.db2.gz GLGNQBQBOHWDRS-HSBZDZAISA-N 1 0 234.343 2.130 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2F ZINC001252576068 983831183 /nfs/dbraw/zinc/83/11/83/983831183.db2.gz ICTFYNVXPUSYQX-KGLIPLIRSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)c1ccc(OC)cc1 ZINC001252576107 983831260 /nfs/dbraw/zinc/83/12/60/983831260.db2.gz IOGQHXBOIWTLCX-HNNXBMFYSA-N 1 0 249.354 2.457 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC001252578638 983833651 /nfs/dbraw/zinc/83/36/51/983833651.db2.gz FOAVEBPBERJVPW-LSDHHAIUSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001252581781 983834488 /nfs/dbraw/zinc/83/44/88/983834488.db2.gz JPVHGEGHVUUJKK-CABCVRRESA-N 1 0 242.322 2.072 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001252585599 983835779 /nfs/dbraw/zinc/83/57/79/983835779.db2.gz QXPQPCZGHSQZQW-AWEZNQCLSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2sccc21 ZINC001252585062 983835971 /nfs/dbraw/zinc/83/59/71/983835971.db2.gz JJYHYMMPSOCUPE-CMPLNLGQSA-N 1 0 223.341 2.262 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccccc1F ZINC001252586611 983837022 /nfs/dbraw/zinc/83/70/22/983837022.db2.gz KJQMNFCMXZQFDA-CYBMUJFWSA-N 1 0 237.318 2.285 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(F)c1 ZINC001252586570 983837688 /nfs/dbraw/zinc/83/76/88/983837688.db2.gz KAKLMXLTUCPBKW-CYBMUJFWSA-N 1 0 223.291 2.242 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1sccc1C ZINC001252590130 983840495 /nfs/dbraw/zinc/84/04/95/983840495.db2.gz ZFBJODGJBCOZBO-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001358253257 983843102 /nfs/dbraw/zinc/84/31/02/983843102.db2.gz ZFNFOSVMFWPUKB-JHJVBQTASA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1ccncc1 ZINC001252616305 983850640 /nfs/dbraw/zinc/85/06/40/983850640.db2.gz NIOKEZJEENGBPR-KBPBESRZSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccnc1Cl ZINC001252616568 983851811 /nfs/dbraw/zinc/85/18/11/983851811.db2.gz QYJDRKXCFYCPNK-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCc1cc(C)ccn1 ZINC001252617577 983852790 /nfs/dbraw/zinc/85/27/90/983852790.db2.gz GAZIXIPZTKLEDF-OAHLLOKOSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]([NH3+])CC(C)C ZINC001358505536 983881008 /nfs/dbraw/zinc/88/10/08/983881008.db2.gz IFARLRBRULHHTA-GFCCVEGCSA-N 1 0 226.364 2.175 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH2+]CC1(C#N)CCC1 ZINC000934230823 983886333 /nfs/dbraw/zinc/88/63/33/983886333.db2.gz YUFDCIIFGMGPGX-GFCCVEGCSA-N 1 0 229.327 2.296 20 30 BEEDRO CC#CC[NH2+][C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871876710 983888036 /nfs/dbraw/zinc/88/80/36/983888036.db2.gz IMXOSQZUMVFTEF-CQSZACIVSA-N 1 0 244.338 2.325 20 30 BEEDRO N#Cc1cc(F)ccc1-c1cc(C[NH3+])ccn1 ZINC001242578802 983891096 /nfs/dbraw/zinc/89/10/96/983891096.db2.gz SQGGCUPJUNGZAH-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CN(C(=O)CCC)C[C@@H]1C ZINC001570330309 984022832 /nfs/dbraw/zinc/02/28/32/984022832.db2.gz WLCNZAROQGKXBQ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1C[C@@H]1C ZINC001570812293 984028103 /nfs/dbraw/zinc/02/81/03/984028103.db2.gz PDHPSAQBDVUOIR-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001570705849 984028125 /nfs/dbraw/zinc/02/81/25/984028125.db2.gz CACWLRYYEHVKRU-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CCCC1 ZINC001570585284 984029923 /nfs/dbraw/zinc/02/99/23/984029923.db2.gz URGKKJOCRPBLDJ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000130478286 984037038 /nfs/dbraw/zinc/03/70/38/984037038.db2.gz WHUUNCWKHBZXDC-SNVBAGLBSA-N 1 0 203.285 2.286 20 30 BEEDRO N#Cc1c(F)cncc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242673635 984040811 /nfs/dbraw/zinc/04/08/11/984040811.db2.gz FBQJNOZRYRXXFO-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO C[C@H]1CC(=O)C=C(c2ccc3c(n2)C[NH2+]CC3)C1 ZINC001242736703 984079803 /nfs/dbraw/zinc/07/98/03/984079803.db2.gz FCGVPQIDXZQGSG-SNVBAGLBSA-N 1 0 242.322 2.110 20 30 BEEDRO CCCC[N@H+](CCC#N)CC1CCOCC1 ZINC001202577861 984084911 /nfs/dbraw/zinc/08/49/11/984084911.db2.gz AKOJMBBPQBHGDT-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=C[C@H](C)NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001545727736 984133860 /nfs/dbraw/zinc/13/38/60/984133860.db2.gz XUXBTSQMLWBRMG-LBPRGKRZSA-N 1 0 246.354 2.095 20 30 BEEDRO Cc1cc(-c2c[nH+]ccc2N)ccc1C#N ZINC001242767812 984149041 /nfs/dbraw/zinc/14/90/41/984149041.db2.gz GCRYRDFQRJTDAE-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+]CCCCC#N ZINC001253553321 984204814 /nfs/dbraw/zinc/20/48/14/984204814.db2.gz HLZICLKNOLAOLW-GFCCVEGCSA-N 1 0 212.337 2.211 20 30 BEEDRO CCCCC[C@H](O)C[NH2+]CCCCC#N ZINC001253553323 984206710 /nfs/dbraw/zinc/20/67/10/984206710.db2.gz HLZICLKNOLAOLW-LBPRGKRZSA-N 1 0 212.337 2.211 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001253564158 984220225 /nfs/dbraw/zinc/22/02/25/984220225.db2.gz APZZQBONWZOSAR-LLVKDONJSA-N 1 0 245.244 2.342 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001253565737 984222982 /nfs/dbraw/zinc/22/29/82/984222982.db2.gz SAWWZDXZODBGIH-LLVKDONJSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC001253565868 984223842 /nfs/dbraw/zinc/22/38/42/984223842.db2.gz UAXVZDNDFIQSFM-SNVBAGLBSA-N 1 0 245.244 2.342 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001253566753 984231016 /nfs/dbraw/zinc/23/10/16/984231016.db2.gz FZRSXWIHIKFJQF-MRXNPFEDSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001253566527 984231715 /nfs/dbraw/zinc/23/17/15/984231715.db2.gz CLNURZVDSXYDTE-OLZOCXBDSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C(C)CN1CCC2(CC[NH+](C3CC3)CC2)C1=O ZINC001274018422 984237547 /nfs/dbraw/zinc/23/75/47/984237547.db2.gz YCUGXSBJVWUHPE-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001253567377 984238107 /nfs/dbraw/zinc/23/81/07/984238107.db2.gz NJAMNTXADHVBFR-ZDUSSCGKSA-N 1 0 230.311 2.113 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001490815556 984289161 /nfs/dbraw/zinc/28/91/61/984289161.db2.gz FZFQPJAQCBPDQK-OTAKNEKHSA-N 1 0 236.359 2.109 20 30 BEEDRO COc1cc(C2=CC[NH2+]CC2)cc(F)c1C#N ZINC001240470409 984304811 /nfs/dbraw/zinc/30/48/11/984304811.db2.gz GAEQYRBLTRSMTL-UHFFFAOYSA-N 1 0 232.258 2.083 20 30 BEEDRO CC#CC[NH2+]C/C=C\CNC(=O)CC(C)=C(C)C ZINC001274276380 984325962 /nfs/dbraw/zinc/32/59/62/984325962.db2.gz XTXGKUCZFZUUBY-FPLPWBNLSA-N 1 0 248.370 2.018 20 30 BEEDRO CC#CC[NH2+]C/C=C/CNC(=O)CC(C)=C(C)C ZINC001274276379 984326250 /nfs/dbraw/zinc/32/62/50/984326250.db2.gz XTXGKUCZFZUUBY-BQYQJAHWSA-N 1 0 248.370 2.018 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cc(C)nc(C#N)n2)cc1 ZINC001242990511 984352703 /nfs/dbraw/zinc/35/27/03/984352703.db2.gz OGVNAUKHUHMLRL-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ncc(C#N)cc2C#N)cc1 ZINC001242990034 984353546 /nfs/dbraw/zinc/35/35/46/984353546.db2.gz BGBZHBCJIATIKL-UHFFFAOYSA-N 1 0 248.289 2.211 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1C ZINC001274762984 984376295 /nfs/dbraw/zinc/37/62/95/984376295.db2.gz FVQSDBHIAANAFE-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC ZINC001274878316 984398448 /nfs/dbraw/zinc/39/84/48/984398448.db2.gz VCAHOLFRZQNZAE-VXGBXAGGSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]CC(=C)Cl ZINC001274878343 984399909 /nfs/dbraw/zinc/39/99/09/984399909.db2.gz WAQNVNKKCHHOEI-SNVBAGLBSA-N 1 0 244.766 2.045 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC(C)(C)C ZINC001275078391 984473393 /nfs/dbraw/zinc/47/33/93/984473393.db2.gz QMIMAJGPSMPOJR-JTQLQIEISA-N 1 0 246.782 2.269 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C\C ZINC001275100179 984482692 /nfs/dbraw/zinc/48/26/92/984482692.db2.gz GKKVNCSGKGBAMK-TZQNSNDFSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@H](C)[NH2+]CCC(C)C ZINC001275366227 984544376 /nfs/dbraw/zinc/54/43/76/984544376.db2.gz MRLYPMMXEXHXHW-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001275415252 984554371 /nfs/dbraw/zinc/55/43/71/984554371.db2.gz OAUFBDTZHMIZDD-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C=C ZINC001275459991 984569455 /nfs/dbraw/zinc/56/94/55/984569455.db2.gz JEOHWCJLBPBIPH-NWDGAFQWSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C)CCCC1 ZINC001275459188 984570297 /nfs/dbraw/zinc/57/02/97/984570297.db2.gz DXPFTFNCPGQTNS-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC=C ZINC001275480519 984571340 /nfs/dbraw/zinc/57/13/40/984571340.db2.gz IJOAULGJTUVDSR-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)CC ZINC001275480193 984573689 /nfs/dbraw/zinc/57/36/89/984573689.db2.gz GNHZFACKAOPYFG-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC(C)C ZINC001275496682 984582640 /nfs/dbraw/zinc/58/26/40/984582640.db2.gz JWPWMJHODKHBSE-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)CCC ZINC001275520119 984593143 /nfs/dbraw/zinc/59/31/43/984593143.db2.gz DYIASMGWFDKJQH-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+](C)C[C@@H](C)CC ZINC001275519843 984595029 /nfs/dbraw/zinc/59/50/29/984595029.db2.gz BUIGLHSALKKYLS-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001275519689 984595265 /nfs/dbraw/zinc/59/52/65/984595265.db2.gz BHROPOQRIIHBFQ-LAUAKBEESA-N 1 0 238.375 2.211 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)CC ZINC001275772481 984646152 /nfs/dbraw/zinc/64/61/52/984646152.db2.gz GMVLSJBZSSUMJO-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CCC(F)F ZINC001275883170 984714051 /nfs/dbraw/zinc/71/40/51/984714051.db2.gz ZFVYMFJTKKLSGA-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C#CCCCN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001275975932 984761816 /nfs/dbraw/zinc/76/18/16/984761816.db2.gz SDCFRYQFZXEAEO-GOEBONIOSA-N 1 0 246.398 2.349 20 30 BEEDRO C=CCC[NH2+][C@H](CCN(C)C(C)=O)C(C)C ZINC001276107547 984814834 /nfs/dbraw/zinc/81/48/34/984814834.db2.gz HINLNOVHCFUJGJ-CYBMUJFWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C/C=C(\C)C=C ZINC001495724065 984840890 /nfs/dbraw/zinc/84/08/90/984840890.db2.gz WIPKNIINTVVKCC-WHGQRRHOSA-N 1 0 236.359 2.037 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C/C=C(\C)C=C ZINC001495724050 984841058 /nfs/dbraw/zinc/84/10/58/984841058.db2.gz WIPKNIINTVVKCC-BWODNOAJSA-N 1 0 236.359 2.037 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257062085 984848904 /nfs/dbraw/zinc/84/89/04/984848904.db2.gz ZXIPGDZQCOVLQU-STQMWFEESA-N 1 0 237.343 2.392 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257079483 984852174 /nfs/dbraw/zinc/85/21/74/984852174.db2.gz CMDPIGHOGOYHCR-YVECIDJPSA-N 1 0 209.333 2.334 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC(C)(C#N)CC2)CC1 ZINC001257222242 984853173 /nfs/dbraw/zinc/85/31/73/984853173.db2.gz YRQJAJFSVIUJSB-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000886026451 984878823 /nfs/dbraw/zinc/87/88/23/984878823.db2.gz JMTNZHBEQXQMFJ-SNVBAGLBSA-N 1 0 215.724 2.430 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@](C)(NC(=O)C(C)C)C1 ZINC001278364242 984892223 /nfs/dbraw/zinc/89/22/23/984892223.db2.gz UOJIHLVGBHDKEI-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC(=O)N1CC[NH+]([C@@H](C)CCC)CC1 ZINC001257328965 984898759 /nfs/dbraw/zinc/89/87/59/984898759.db2.gz VSAWOTPOONEOHU-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)Cc1ccoc1 ZINC000685989316 985026172 /nfs/dbraw/zinc/02/61/72/985026172.db2.gz GJVFYGMTSILLLQ-NSHDSACASA-N 1 0 222.288 2.030 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000685989329 985026644 /nfs/dbraw/zinc/02/66/44/985026644.db2.gz YABIDBOENPYHCK-QWRGUYRKSA-N 1 0 222.288 2.201 20 30 BEEDRO C[C@H](c1ccco1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000685989330 985027039 /nfs/dbraw/zinc/02/70/39/985027039.db2.gz YABIDBOENPYHCK-WDEREUQCSA-N 1 0 222.288 2.201 20 30 BEEDRO N#CCOc1ccc(-c2ccc(C[NH3+])nc2)cc1 ZINC001243590249 985148305 /nfs/dbraw/zinc/14/83/05/985148305.db2.gz DWVZLNGPQZRYNK-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000686675323 985198455 /nfs/dbraw/zinc/19/84/55/985198455.db2.gz OTPNMCJGKFKVDJ-IYBDPMFKSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCCCCC[N@@H+](CC)CC(C)(C)O ZINC000686683382 985202674 /nfs/dbraw/zinc/20/26/74/985202674.db2.gz YHYXWRHLUVUYEM-UHFFFAOYSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000686682027 985203046 /nfs/dbraw/zinc/20/30/46/985203046.db2.gz IFQGMNJXJJQBSX-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@H]1CCOC1 ZINC000686686158 985205554 /nfs/dbraw/zinc/20/55/54/985205554.db2.gz DNKCKUFYBXWUBF-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C[NH2+]C[C@@H](C)Nc1ncc(C#N)c2ccsc21 ZINC001578638091 985246464 /nfs/dbraw/zinc/24/64/64/985246464.db2.gz HNLCYFBDQWFSFA-MRVPVSSYSA-N 1 0 246.339 2.188 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257681431 985270864 /nfs/dbraw/zinc/27/08/64/985270864.db2.gz PPNAVPQPXZHDJB-LBPRGKRZSA-N 1 0 209.358 2.227 20 30 BEEDRO C#CCCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000687853571 985417989 /nfs/dbraw/zinc/41/79/89/985417989.db2.gz YWIZIAXYXJOPMC-GFCCVEGCSA-N 1 0 211.374 2.473 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC001459505713 985514542 /nfs/dbraw/zinc/51/45/42/985514542.db2.gz DCXNJAKJDXWAKM-XQQFMLRXSA-N 1 0 209.333 2.288 20 30 BEEDRO C#CC[N@@H+](CC)Cc1c[nH]c(=O)c2ccccc12 ZINC001459611971 985553446 /nfs/dbraw/zinc/55/34/46/985553446.db2.gz YZQQMLGICSPUCJ-UHFFFAOYSA-N 1 0 240.306 2.396 20 30 BEEDRO N#Cc1cnc(/C=C/C2CC[NH2+]CC2)c(F)c1 ZINC001243891583 985556449 /nfs/dbraw/zinc/55/64/49/985556449.db2.gz CBFHWOMSQLLPCY-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO N#Cc1ncc(/C=C/C2CC[NH2+]CC2)cc1F ZINC001243891773 985558039 /nfs/dbraw/zinc/55/80/39/985558039.db2.gz BIUWYCOBUCNHBR-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO N#Cc1cc(F)cnc1/C=C/C1CC[NH2+]CC1 ZINC001243893728 985574436 /nfs/dbraw/zinc/57/44/36/985574436.db2.gz SSDCAPJKBWKVRT-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000688298487 985606498 /nfs/dbraw/zinc/60/64/98/985606498.db2.gz WOSMOKBLYNFFJE-VIFPVBQESA-N 1 0 246.148 2.196 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001459801534 985623564 /nfs/dbraw/zinc/62/35/64/985623564.db2.gz XBDIIFVSUAWNMP-JGVFFNPUSA-N 1 0 207.651 2.326 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC)C1 ZINC001490863132 985648884 /nfs/dbraw/zinc/64/88/84/985648884.db2.gz GYIWDBPRUOQQNG-JHJVBQTASA-N 1 0 238.375 2.378 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000688500482 985657047 /nfs/dbraw/zinc/65/70/47/985657047.db2.gz LFDDTLGNEOSJHJ-DTWKUNHWSA-N 1 0 234.137 2.052 20 30 BEEDRO C#CCCN1CC[NH+]([C@@H](C)[C@@H](C)CC)CC1 ZINC001459904717 985660446 /nfs/dbraw/zinc/66/04/46/985660446.db2.gz ZQTCSHHTIBZIIW-KBPBESRZSA-N 1 0 222.376 2.062 20 30 BEEDRO COC(=O)c1ccc(C2=C[NH2+]CCC2)c(C#N)c1 ZINC001243953443 985669562 /nfs/dbraw/zinc/66/95/62/985669562.db2.gz XNKZWSVQMPQUHF-UHFFFAOYSA-N 1 0 242.278 2.069 20 30 BEEDRO C#CCCC[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689083193 985799755 /nfs/dbraw/zinc/79/97/55/985799755.db2.gz RDQOWWIUSGAGNH-UHFFFAOYSA-N 1 0 237.324 2.038 20 30 BEEDRO N#Cc1ccc(-c2cccc3c2CC[NH2+]C3)c(N)c1 ZINC001244088350 985803234 /nfs/dbraw/zinc/80/32/34/985803234.db2.gz FQQCQJCRIGNHHY-UHFFFAOYSA-N 1 0 249.317 2.453 20 30 BEEDRO Cc1c[nH+]c(-c2ccc(N)c(C#N)c2)cc1N ZINC001244112845 985823046 /nfs/dbraw/zinc/82/30/46/985823046.db2.gz SVMOTBPCYMWDGP-UHFFFAOYSA-N 1 0 224.267 2.093 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC001460523872 985856594 /nfs/dbraw/zinc/85/65/94/985856594.db2.gz RVNQTOOUWLBMBJ-MCIONIFRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001460855934 985914163 /nfs/dbraw/zinc/91/41/63/985914163.db2.gz HRGAAABIZSFADT-NEPJUHHUSA-N 1 0 217.316 2.231 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)CCO1 ZINC001460963741 985964051 /nfs/dbraw/zinc/96/40/51/985964051.db2.gz KTWYDVDOYSQFHA-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO N#Cc1cnccc1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001244336851 985977167 /nfs/dbraw/zinc/97/71/67/985977167.db2.gz IMPFZVDDNYBCFH-UHFFFAOYSA-N 1 0 235.250 2.079 20 30 BEEDRO C=CC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC001461010314 985996889 /nfs/dbraw/zinc/99/68/89/985996889.db2.gz VGCUUFJXHLBJDB-UHFFFAOYSA-N 1 0 248.717 2.196 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cnccn1 ZINC001258719360 986047366 /nfs/dbraw/zinc/04/73/66/986047366.db2.gz BXCNGDXXUAVYHV-GHMZBOCLSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCC[C@@H](F)C1 ZINC001258720679 986052350 /nfs/dbraw/zinc/05/23/50/986052350.db2.gz DDBBQVBBXKCMNT-QWHCGFSZSA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@@H](C)n1ncc2c1CC[NH2+]C2 ZINC001258725309 986065207 /nfs/dbraw/zinc/06/52/07/986065207.db2.gz JYQBNWYKNWVWQP-SNVBAGLBSA-N 1 0 205.305 2.056 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001258724754 986065985 /nfs/dbraw/zinc/06/59/85/986065985.db2.gz DPGQQKZFYZRPKX-WDEREUQCSA-N 1 0 213.296 2.344 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001258726637 986067325 /nfs/dbraw/zinc/06/73/25/986067325.db2.gz VNHDAPUUJWNMAF-TUAOUCFPSA-N 1 0 215.312 2.136 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001258726498 986067482 /nfs/dbraw/zinc/06/74/82/986067482.db2.gz SSBGTWCKODVSJR-FRRDWIJNSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)n1c(C)nc2c1C[NH2+]CC2 ZINC001258732808 986076904 /nfs/dbraw/zinc/07/69/04/986076904.db2.gz QMTBNWNUYZZYCZ-JTQLQIEISA-N 1 0 219.332 2.364 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001253570770 986078012 /nfs/dbraw/zinc/07/80/12/986078012.db2.gz BFRPMHPBMZSVNQ-KBPBESRZSA-N 1 0 217.312 2.023 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CNC[C@@H]1CCC[NH2+]1 ZINC001579554010 986079413 /nfs/dbraw/zinc/07/94/13/986079413.db2.gz JLLHKRYCGABPIS-AWEZNQCLSA-N 1 0 243.354 2.017 20 30 BEEDRO Cc1cc(CN[C@@H](C[NH3+])C(C)(C)C)ccc1C#N ZINC001579601391 986094003 /nfs/dbraw/zinc/09/40/03/986094003.db2.gz PZVSHZJKIGQJQE-AWEZNQCLSA-N 1 0 245.370 2.330 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001253577185 986121203 /nfs/dbraw/zinc/12/12/03/986121203.db2.gz SFELBAIASXSEKF-SNVBAGLBSA-N 1 0 231.286 2.045 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001253578556 986126364 /nfs/dbraw/zinc/12/63/64/986126364.db2.gz DHNNZGOGOZWOPL-HIFRSBDPSA-N 1 0 247.338 2.077 20 30 BEEDRO Cc1cc(N(C)CCCCCC[NH3+])ncc1C#N ZINC001579618311 986134466 /nfs/dbraw/zinc/13/44/66/986134466.db2.gz JQKNYPKICWLWTH-UHFFFAOYSA-N 1 0 246.358 2.217 20 30 BEEDRO Cc1ccc(-c2cc(C[NH3+])ccn2)cc1C#N ZINC001244470909 986139163 /nfs/dbraw/zinc/13/91/63/986139163.db2.gz XPHNFLYCRUQBNW-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC001253579794 986143116 /nfs/dbraw/zinc/14/31/16/986143116.db2.gz UESPCSPPEPWRAK-AVGNSLFASA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccccc1OC ZINC001253583354 986145313 /nfs/dbraw/zinc/14/53/13/986145313.db2.gz FUHMPRYEKIEPAG-VXGBXAGGSA-N 1 0 235.327 2.235 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC2(CC[C@@H](F)C2)CC1 ZINC001253581645 986146016 /nfs/dbraw/zinc/14/60/16/986146016.db2.gz DEDRVHWWUOIEFY-VXGBXAGGSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1OC ZINC001253583352 986154901 /nfs/dbraw/zinc/15/49/01/986154901.db2.gz FUHMPRYEKIEPAG-NWDGAFQWSA-N 1 0 235.327 2.235 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1cccc(F)c1 ZINC001253583855 986155968 /nfs/dbraw/zinc/15/59/68/986155968.db2.gz IQAFUTNRKYYTKO-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccc1OC ZINC001253583353 986159200 /nfs/dbraw/zinc/15/92/00/986159200.db2.gz FUHMPRYEKIEPAG-RYUDHWBXSA-N 1 0 235.327 2.235 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC001253584292 986159733 /nfs/dbraw/zinc/15/97/33/986159733.db2.gz LLNYXHUUOAWVKE-CQSZACIVSA-N 1 0 219.328 2.228 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCCC2(CC(F)C2)CC1 ZINC001253585638 986163973 /nfs/dbraw/zinc/16/39/73/986163973.db2.gz XRQKQQQSBXVBHR-OTTFEQOBSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1c[nH]c2ccc(C)cc12 ZINC001253585019 986167154 /nfs/dbraw/zinc/16/71/54/986167154.db2.gz SYGNZWLHYIKCLB-CYBMUJFWSA-N 1 0 244.338 2.455 20 30 BEEDRO C=C[C@@H](O)CNc1ccc(C[NH+]2CCCC2)cc1 ZINC001253588781 986190442 /nfs/dbraw/zinc/19/04/42/986190442.db2.gz ICNRVFCYNXIIHX-OAHLLOKOSA-N 1 0 246.354 2.241 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(Cl)c1F ZINC001253597722 986219303 /nfs/dbraw/zinc/21/93/03/986219303.db2.gz INBLYECIUHHOHH-VIFPVBQESA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001253599135 986226482 /nfs/dbraw/zinc/22/64/82/986226482.db2.gz GHAADBFYCZEWOB-NSHDSACASA-N 1 0 227.254 2.261 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(F)cccc1Cl ZINC001253598502 986227226 /nfs/dbraw/zinc/22/72/26/986227226.db2.gz VAHKKGMFZLHVAB-MRVPVSSYSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(Cl)ccc(C)c1F ZINC001253598385 986230062 /nfs/dbraw/zinc/23/00/62/986230062.db2.gz SFFTZWVPXKJFPV-VIFPVBQESA-N 1 0 243.709 2.424 20 30 BEEDRO N#Cc1ccc(F)c(-c2cc(C[NH3+])ccn2)c1 ZINC001244552989 986241886 /nfs/dbraw/zinc/24/18/86/986241886.db2.gz CHBLTPCZXZCVTA-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001253602859 986255266 /nfs/dbraw/zinc/25/52/66/986255266.db2.gz MPHVNJUCZLARJJ-YPMHNXCESA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccc(C)cc1 ZINC001253603430 986256038 /nfs/dbraw/zinc/25/60/38/986256038.db2.gz XQAKDYSRHKDMDP-CYBMUJFWSA-N 1 0 219.328 2.367 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001253603637 986260103 /nfs/dbraw/zinc/26/01/03/986260103.db2.gz ZQEAXWBTZTYUHB-MRVPVSSYSA-N 1 0 247.672 2.255 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC001462006770 986261556 /nfs/dbraw/zinc/26/15/56/986261556.db2.gz GRFIVSQSGKSPBS-UHFFFAOYSA-N 1 0 243.310 2.443 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CC)c1cccc(F)c1 ZINC001253605287 986261533 /nfs/dbraw/zinc/26/15/33/986261533.db2.gz QOVFZCBGTRBIBR-OLZOCXBDSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC001253605618 986265244 /nfs/dbraw/zinc/26/52/44/986265244.db2.gz UZPNBPNGORVIEY-UWVGGRQHSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001253607181 986267409 /nfs/dbraw/zinc/26/74/09/986267409.db2.gz SHQRMGAVNYOKST-GXTWGEPZSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001253610606 986284371 /nfs/dbraw/zinc/28/43/71/986284371.db2.gz GXTZVIGNGGHBQZ-ZDUSSCGKSA-N 1 0 235.302 2.037 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001253610605 986285595 /nfs/dbraw/zinc/28/55/95/986285595.db2.gz GXTZVIGNGGHBQZ-CYBMUJFWSA-N 1 0 235.302 2.037 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001253612514 986287459 /nfs/dbraw/zinc/28/74/59/986287459.db2.gz ZPAYIYMOAGVPKH-QPUJVOFHSA-N 1 0 239.265 2.089 20 30 BEEDRO COc1ccc(-c2ccc(C[NH3+])nc2)cc1C#N ZINC001244709287 986316605 /nfs/dbraw/zinc/31/66/05/986316605.db2.gz RJVNMTLIMSNWOC-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001462250758 986324063 /nfs/dbraw/zinc/32/40/63/986324063.db2.gz UECZOGNBXGRFGR-WCQYABFASA-N 1 0 233.359 2.325 20 30 BEEDRO C#C[C@H]1COCC[N@H+]1CC(C(C)C)C(C)C ZINC001462331222 986356206 /nfs/dbraw/zinc/35/62/06/986356206.db2.gz FBYSASDSMAWTAC-ZDUSSCGKSA-N 1 0 223.360 2.249 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001490883365 986370983 /nfs/dbraw/zinc/37/09/83/986370983.db2.gz WRMWLIKPCHFYNQ-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001462550346 986423153 /nfs/dbraw/zinc/42/31/53/986423153.db2.gz YARRAFVDCVMFJD-HOCLYGCPSA-N 1 0 245.366 2.290 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC)c(OC2CC2)c1 ZINC001462622368 986461422 /nfs/dbraw/zinc/46/14/22/986461422.db2.gz DENDCYFTPZSMPL-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO C=CCCn1cc(C[N@H+](C)CC2CCC2)nn1 ZINC001462635829 986464900 /nfs/dbraw/zinc/46/49/00/986464900.db2.gz NGLYLFMLUGVNRU-UHFFFAOYSA-N 1 0 234.347 2.086 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCOCC1)C1CCC1 ZINC001462654958 986482999 /nfs/dbraw/zinc/48/29/99/986482999.db2.gz OBIONPVWBWEQDT-LLVKDONJSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CCC1)C2 ZINC001096913988 986515977 /nfs/dbraw/zinc/51/59/77/986515977.db2.gz BPPRGBYNJXCZQC-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC001464812540 986652439 /nfs/dbraw/zinc/65/24/39/986652439.db2.gz GBLNWCWHVGSKFI-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001254639354 986689876 /nfs/dbraw/zinc/68/98/76/986689876.db2.gz UTZUOJDLYGJTEA-WCQYABFASA-N 1 0 234.343 2.227 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001254645680 986698482 /nfs/dbraw/zinc/69/84/82/986698482.db2.gz FVJYZJCQHRZKAZ-YPMHNXCESA-N 1 0 227.311 2.353 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001254671029 986718232 /nfs/dbraw/zinc/71/82/32/986718232.db2.gz NVXZZBDBGPMMGZ-RISCZKNCSA-N 1 0 227.311 2.173 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001254674168 986718923 /nfs/dbraw/zinc/71/89/23/986718923.db2.gz VALCCIPWEOHBSW-DGCLKSJQSA-N 1 0 242.322 2.443 20 30 BEEDRO C[N@H+](C1CC1)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254672474 986720279 /nfs/dbraw/zinc/72/02/79/986720279.db2.gz BOVGDUGOMLFLAP-IUODEOHRSA-N 1 0 247.386 2.237 20 30 BEEDRO CCN1CCC([N@H+](C)[C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669352 986720520 /nfs/dbraw/zinc/72/05/20/986720520.db2.gz RINXBGDARFUTBA-OCCSQVGLSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254668590 986721893 /nfs/dbraw/zinc/72/18/93/986721893.db2.gz GWPZZNYMIPTYAA-AVGNSLFASA-N 1 0 222.332 2.035 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254923075 986742794 /nfs/dbraw/zinc/74/27/94/986742794.db2.gz AENFXYRJZYRGRA-CYDGBPFRSA-N 1 0 246.354 2.416 20 30 BEEDRO CC1(C#N)CC[NH+](C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254957066 986764328 /nfs/dbraw/zinc/76/43/28/986764328.db2.gz RPMPVWDXGKREAZ-RYUDHWBXSA-N 1 0 246.354 2.370 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2[nH]c(C)cc2C)C1 ZINC001137329673 986782791 /nfs/dbraw/zinc/78/27/91/986782791.db2.gz JOOMVLSJEKYLIU-ZDUSSCGKSA-N 1 0 216.328 2.477 20 30 BEEDRO CC[C@H](CC#N)n1ncc2cccc(C[NH3+])c21 ZINC001255155302 986828205 /nfs/dbraw/zinc/82/82/05/986828205.db2.gz OVLUBRZZNQKGAI-GFCCVEGCSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001255157733 986832794 /nfs/dbraw/zinc/83/27/94/986832794.db2.gz UPIYVCOSAIFNLJ-HUUCEWRRSA-N 1 0 246.354 2.119 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCC(F)(F)C1 ZINC000389225008 986851484 /nfs/dbraw/zinc/85/14/84/986851484.db2.gz PNDOCILVHPFEAC-IUCAKERBSA-N 1 0 202.248 2.456 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001255176368 986871469 /nfs/dbraw/zinc/87/14/69/986871469.db2.gz AMOCSHUXAKNUOA-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CC1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137396325 986876010 /nfs/dbraw/zinc/87/60/10/986876010.db2.gz GKMDRFDDAKNIOH-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO N#CCc1ccc(-c2ccncc2C[NH3+])cc1C#N ZINC001245560825 986954510 /nfs/dbraw/zinc/95/45/10/986954510.db2.gz VMWWROXYGJUHFZ-UHFFFAOYSA-N 1 0 248.289 2.145 20 30 BEEDRO N#CCc1cc(F)ccc1-c1ccncc1C[NH3+] ZINC001245563005 986958853 /nfs/dbraw/zinc/95/88/53/986958853.db2.gz VSXRHXUWVVUHCX-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C[N@@H+]1CCC[C@@H](N(CCC#N)C2CCCC2)C1 ZINC001255485592 986984847 /nfs/dbraw/zinc/98/48/47/986984847.db2.gz FNKFOKQORHIGTK-CQSZACIVSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000691874138 987067402 /nfs/dbraw/zinc/06/74/02/987067402.db2.gz XDJJIUPQCGEDQP-LBPRGKRZSA-N 1 0 224.348 2.497 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NCc1cc(C#N)co1 ZINC001255953451 987096688 /nfs/dbraw/zinc/09/66/88/987096688.db2.gz RIHVODXJURQOAW-LBPRGKRZSA-N 1 0 249.358 2.361 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC1CC([NH2+]CC)C1 ZINC001100367574 987121659 /nfs/dbraw/zinc/12/16/59/987121659.db2.gz OSLJXRLDVIBTFN-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]C[C@H](F)CC ZINC001491547942 987222959 /nfs/dbraw/zinc/22/29/59/987222959.db2.gz MXMHCBNNBUDUID-GHMZBOCLSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]CCC(=C)C ZINC001491549546 987235174 /nfs/dbraw/zinc/23/51/74/987235174.db2.gz YYRQJPBGTXSPBO-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO CCCCCCCC[C@H](O)CNC[C@@H]1CC[NH2+]1 ZINC001245980865 987255678 /nfs/dbraw/zinc/25/56/78/987255678.db2.gz JFVFZCJAPAGLRX-KBPBESRZSA-N 1 0 242.407 2.049 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001103818523 987256107 /nfs/dbraw/zinc/25/61/07/987256107.db2.gz NAPVXVOPXWZSEG-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCCCCC[C@@H](O)CNC[C@H]1CC[NH2+]1 ZINC001245980875 987256967 /nfs/dbraw/zinc/25/69/67/987256967.db2.gz JFVFZCJAPAGLRX-ZIAGYGMSSA-N 1 0 242.407 2.049 20 30 BEEDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)ncc1C#N ZINC001472686490 987267888 /nfs/dbraw/zinc/26/78/88/987267888.db2.gz RJEQIBZLWVGWJA-CYBMUJFWSA-N 1 0 244.342 2.014 20 30 BEEDRO N#Cc1ccc(F)cc1NCC[N@H+]1CC=CCC1 ZINC001472773316 987278881 /nfs/dbraw/zinc/27/88/81/987278881.db2.gz RCCLFOIMMYRVCZ-UHFFFAOYSA-N 1 0 245.301 2.371 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](CC)CN ZINC001246000607 987287695 /nfs/dbraw/zinc/28/76/95/987287695.db2.gz LPCGXAMDBLQODF-KGLIPLIRSA-N 1 0 244.423 2.425 20 30 BEEDRO C#CCCCCC(=O)NCCC[NH+](CC)CC ZINC000692855043 987297594 /nfs/dbraw/zinc/29/75/94/987297594.db2.gz YPTMUEZGUJAKJN-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC1(O)CCCCCC1 ZINC001473138882 987347155 /nfs/dbraw/zinc/34/71/55/987347155.db2.gz JDGAVPTZNMYTKB-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCCCCC[C@@H](O)CN(CC)CC[NH3+] ZINC001246054406 987348538 /nfs/dbraw/zinc/34/85/38/987348538.db2.gz ZLQRWWLPVMWKQB-CQSZACIVSA-N 1 0 244.423 2.379 20 30 BEEDRO CCCCCCCC[C@@H](O)CN(C)C[C@H](C)[NH3+] ZINC001246061630 987352296 /nfs/dbraw/zinc/35/22/96/987352296.db2.gz ZLYSAZOTEBKNKB-UONOGXRCSA-N 1 0 244.423 2.377 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC001473170296 987356709 /nfs/dbraw/zinc/35/67/09/987356709.db2.gz HPXNOXLOLOBJJV-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO N#C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246073585 987359176 /nfs/dbraw/zinc/35/91/76/987359176.db2.gz IBMAWLHZTQZXLL-IXXDHKBRSA-N 1 0 241.338 2.124 20 30 BEEDRO C[N@H+](CCC#N)C[C@H]1CCCC12CCOCC2 ZINC001473206924 987369353 /nfs/dbraw/zinc/36/93/53/987369353.db2.gz MPGZSYKIKLHUHX-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO CCCCCCC[C@H](CC)N[C@@H]1C[NH2+]C[C@H]1O ZINC001246098689 987414418 /nfs/dbraw/zinc/41/44/18/987414418.db2.gz CYNSVVYRHZHPII-BFHYXJOUSA-N 1 0 242.407 2.048 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001116086026 987439211 /nfs/dbraw/zinc/43/92/11/987439211.db2.gz ZKJDZADVJVCEAW-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCn2nccc2C1 ZINC001473672612 987524713 /nfs/dbraw/zinc/52/47/13/987524713.db2.gz NIXQCOBXZOGXGA-UHFFFAOYSA-N 1 0 231.343 2.282 20 30 BEEDRO C#CC[N@@H+](CCOC(C)(C)C)CC1CC1 ZINC001116366854 987537889 /nfs/dbraw/zinc/53/78/89/987537889.db2.gz YBNMZLXNSJMZBB-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO CCC1(CC)CCC[N@@H+]1CC#CCOC ZINC001473770011 987551271 /nfs/dbraw/zinc/55/12/71/987551271.db2.gz RWWTZOWPYRPXIU-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO N#Cc1ccnc(C[N@@H+]2CCCC23CCC3)c1 ZINC001473816386 987565675 /nfs/dbraw/zinc/56/56/75/987565675.db2.gz CSGQDKVSXWPDPR-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C[N@@H+](Cc1ccncc1C#N)CC1CCC1 ZINC001473857311 987584965 /nfs/dbraw/zinc/58/49/65/987584965.db2.gz MOMQBNGWJTUBRG-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCC(=O)N(C)CC ZINC001473857382 987585007 /nfs/dbraw/zinc/58/50/07/987585007.db2.gz PNZUVGZHTNRZHZ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC001116554785 987623054 /nfs/dbraw/zinc/62/30/54/987623054.db2.gz FKAWFCJKVVPFKS-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001116575764 987634584 /nfs/dbraw/zinc/63/45/84/987634584.db2.gz JHDDNJHYOKWAQL-CQSZACIVSA-N 1 0 247.338 2.478 20 30 BEEDRO C[C@H](O)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001474127877 987646267 /nfs/dbraw/zinc/64/62/67/987646267.db2.gz HSXHXJPQMINGQW-HIFPTAJRSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C23CCC(C#N)(CC2)CC3)CN1 ZINC001246264656 987658294 /nfs/dbraw/zinc/65/82/94/987658294.db2.gz NZFUGOJPUALYBM-LMRVLLHPSA-N 1 0 247.386 2.333 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1COCCN1 ZINC001246281619 987676010 /nfs/dbraw/zinc/67/60/10/987676010.db2.gz XCRPVKVSZNISSV-KBPBESRZSA-N 1 0 242.407 2.313 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC001474297506 987678921 /nfs/dbraw/zinc/67/89/21/987678921.db2.gz AIXKAUFRFCKYIX-VXGBXAGGSA-N 1 0 217.316 2.311 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnccn2)C1 ZINC001474297504 987679292 /nfs/dbraw/zinc/67/92/92/987679292.db2.gz AIXKAUFRFCKYIX-NWDGAFQWSA-N 1 0 217.316 2.311 20 30 BEEDRO C#C[C@H](C)N(C)Cc1nc(C)sc1C ZINC001116792400 987712664 /nfs/dbraw/zinc/71/26/64/987712664.db2.gz QMEILFAZYINDFJ-QMMMGPOBSA-N 1 0 208.330 2.213 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccn1C(F)F ZINC001474523092 987746139 /nfs/dbraw/zinc/74/61/39/987746139.db2.gz VOUNKCZQQZSKIS-JTQLQIEISA-N 1 0 244.285 2.300 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001474543926 987757190 /nfs/dbraw/zinc/75/71/90/987757190.db2.gz IGWDGGFUGQVVCF-WOPDTQHZSA-N 1 0 209.333 2.213 20 30 BEEDRO CC(C)CCC[NH2+]CCNc1ncccc1C#N ZINC001116934570 987766186 /nfs/dbraw/zinc/76/61/86/987766186.db2.gz VLMHUALCHVNDLI-UHFFFAOYSA-N 1 0 246.358 2.391 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC001474648891 987792341 /nfs/dbraw/zinc/79/23/41/987792341.db2.gz SNBOFEWMHBVNPR-BFHYXJOUSA-N 1 0 221.344 2.095 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC001474648894 987793031 /nfs/dbraw/zinc/79/30/31/987793031.db2.gz SNBOFEWMHBVNPR-MGPQQGTHSA-N 1 0 221.344 2.095 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246461639 987818425 /nfs/dbraw/zinc/81/84/25/987818425.db2.gz DXHWTOWEIZMYKA-FRRDWIJNSA-N 1 0 223.364 2.045 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246461658 987820653 /nfs/dbraw/zinc/82/06/53/987820653.db2.gz DXHWTOWEIZMYKA-YNEHKIRRSA-N 1 0 223.364 2.045 20 30 BEEDRO CC(C)C[C@@](C)(C#N)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246465334 987822574 /nfs/dbraw/zinc/82/25/74/987822574.db2.gz VXVCCDNWSJXYQC-UPJWGTAASA-N 1 0 223.364 2.045 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@H](N)[C@@H](F)C3)C[C@H](C1)C2 ZINC001246533852 987891824 /nfs/dbraw/zinc/89/18/24/987891824.db2.gz HCTLVUSRQYERNA-AEBFUODCSA-N 1 0 238.350 2.102 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001321469231 987915115 /nfs/dbraw/zinc/91/51/15/987915115.db2.gz JOPFDWAKQFEKFA-BWODNOAJSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)C1(C)CCC1 ZINC001479788811 987916757 /nfs/dbraw/zinc/91/67/57/987916757.db2.gz FPHHHFYOJXWFID-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC001321500230 987923803 /nfs/dbraw/zinc/92/38/03/987923803.db2.gz FFLYOQVGKBHCMY-AWEZNQCLSA-N 1 0 249.358 2.241 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001479945433 987931867 /nfs/dbraw/zinc/93/18/67/987931867.db2.gz ZJQMUHDGKDVKQF-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)[C@@]1(C)C=CCC1)C1CC1 ZINC001480039591 987943824 /nfs/dbraw/zinc/94/38/24/987943824.db2.gz FNUNEPUVBLHILR-HIFRSBDPSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(Cl)C[NH2+]C1(C2CC2)CCOCC1 ZINC001117932023 987958479 /nfs/dbraw/zinc/95/84/79/987958479.db2.gz KCWYFZSUHKKCKF-UHFFFAOYSA-N 1 0 215.724 2.288 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CCC)C1 ZINC001480270557 987961492 /nfs/dbraw/zinc/96/14/92/987961492.db2.gz GPRXFOJINNSJOW-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1CCCC1 ZINC001480416412 987971455 /nfs/dbraw/zinc/97/14/55/987971455.db2.gz SXAJHIXGVSZNHZ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CCC(C)C ZINC001480421705 987972938 /nfs/dbraw/zinc/97/29/38/987972938.db2.gz PEJILKANBSAXGE-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C1(CC)CCCC1 ZINC001321697144 987973384 /nfs/dbraw/zinc/97/33/84/987973384.db2.gz QXFQKQRLBOUKGV-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001321720467 987976449 /nfs/dbraw/zinc/97/64/49/987976449.db2.gz PHMNNHMCKGZGEB-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(CC)cc1 ZINC001321731281 987981944 /nfs/dbraw/zinc/98/19/44/987981944.db2.gz ALVOKOYVIXUCBJ-GFCCVEGCSA-N 1 0 246.354 2.143 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)CCCC(C)C ZINC001480540142 988001008 /nfs/dbraw/zinc/00/10/08/988001008.db2.gz OADOMAMJQGQKMH-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC1CCC1 ZINC001321811132 988006183 /nfs/dbraw/zinc/00/61/83/988006183.db2.gz CQIHGIJJCZFRQB-JTQLQIEISA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H]1CCN(C(C)=O)C1 ZINC001480626579 988012741 /nfs/dbraw/zinc/01/27/41/988012741.db2.gz UIGGLRPXSWQHLX-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246565451 988018183 /nfs/dbraw/zinc/01/81/83/988018183.db2.gz CDZWZGINKMXHKE-NXEZZACHSA-N 1 0 249.280 2.034 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001321861318 988030105 /nfs/dbraw/zinc/03/01/05/988030105.db2.gz YRYQBSOGVJNHKA-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C=C(CC)CC ZINC001480756450 988030764 /nfs/dbraw/zinc/03/07/64/988030764.db2.gz VRPYYZDYILORLF-GFCCVEGCSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001480789132 988035560 /nfs/dbraw/zinc/03/55/60/988035560.db2.gz AMMXIZWRZUBGSA-TZMCWYRMSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246573659 988068667 /nfs/dbraw/zinc/06/86/67/988068667.db2.gz WUDPQBYVZDBMRT-NXEZZACHSA-N 1 0 236.281 2.307 20 30 BEEDRO C=CCC[N@H+](CCNC(=O)C1=CCCC1)C1CC1 ZINC001493362230 988087685 /nfs/dbraw/zinc/08/76/85/988087685.db2.gz VHQJQFMADNBWIH-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[C@H](C)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001246577352 988091723 /nfs/dbraw/zinc/09/17/23/988091723.db2.gz VQJRWMQOGYKTJG-UWVGGRQHSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@H]1CCC[C@H]1C ZINC001493555891 988098437 /nfs/dbraw/zinc/09/84/37/988098437.db2.gz RGTXOESTHORTEN-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)C[NH2+]CC)CCCC1 ZINC001322099970 988106163 /nfs/dbraw/zinc/10/61/63/988106163.db2.gz TUWWSFRFGVRRLZ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C/C(C)=C/CC(=O)N(C)CC[NH2+]CC(=C)C ZINC001493656739 988106619 /nfs/dbraw/zinc/10/66/19/988106619.db2.gz MTYVZRPVADSJDP-NTUHNPAUSA-N 1 0 236.359 2.133 20 30 BEEDRO C=CCCCC(=O)N(C)CC[NH2+]CC1CCC1 ZINC001493672186 988108618 /nfs/dbraw/zinc/10/86/18/988108618.db2.gz DICAQVPYBUSEQH-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CC1CC1 ZINC001322105666 988114126 /nfs/dbraw/zinc/11/41/26/988114126.db2.gz VWFGVGJTTGOQOY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(NC(=O)CCCC)C1 ZINC001494339284 988134426 /nfs/dbraw/zinc/13/44/26/988134426.db2.gz CPDFCLCGXJRCLU-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC ZINC001322147166 988137737 /nfs/dbraw/zinc/13/77/37/988137737.db2.gz LWIJXZISUHMKBQ-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C=C(CC)CC ZINC001322146427 988140229 /nfs/dbraw/zinc/14/02/29/988140229.db2.gz VACHIBPOSWPGHE-LBPRGKRZSA-N 1 0 238.375 2.355 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001322140653 988143762 /nfs/dbraw/zinc/14/37/62/988143762.db2.gz MQCSXGQGIIWJGJ-JTQLQIEISA-N 1 0 221.275 2.288 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(C)=C(C)C)C1 ZINC001494718926 988179508 /nfs/dbraw/zinc/17/95/08/988179508.db2.gz CGMZBKBUNZREDZ-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)C1CCCCC1 ZINC001494933758 988200513 /nfs/dbraw/zinc/20/05/13/988200513.db2.gz MOTOVVVBYDOUOL-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)/C(C)=C\CC ZINC001494947862 988201371 /nfs/dbraw/zinc/20/13/71/988201371.db2.gz LIZATUHIORRUSC-LLBKUYECSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001322353321 988219280 /nfs/dbraw/zinc/21/92/80/988219280.db2.gz WIBFNKVPFNLGAE-UHFFFAOYSA-N 1 0 243.310 2.339 20 30 BEEDRO C=CCC1(C(=O)NC[C@@H](C)C[NH2+]CC)CCC1 ZINC001495733872 988243552 /nfs/dbraw/zinc/24/35/52/988243552.db2.gz KDTYFMZUIWOREV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1C[C@@H]2CC(N3CCC34C[NH2+]C4)C[C@H](C1)C2 ZINC001246609752 988245143 /nfs/dbraw/zinc/24/51/43/988245143.db2.gz JQCIAODWOTWQPM-PBWFPOADSA-N 1 0 232.371 2.169 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@](C)(C=C)CC ZINC001495733964 988249868 /nfs/dbraw/zinc/24/98/68/988249868.db2.gz KXESUUQPFOVJSX-OCCSQVGLSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCCC(=O)NCC1([NH2+]CCC)CCCC1 ZINC001495898344 988264366 /nfs/dbraw/zinc/26/43/66/988264366.db2.gz AQPDYOSMCCXCLX-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)CCC ZINC001496017900 988271923 /nfs/dbraw/zinc/27/19/23/988271923.db2.gz QHWKKMPBFDQOLI-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)C(CC)CC ZINC001496004736 988272723 /nfs/dbraw/zinc/27/27/23/988272723.db2.gz UCRQHXKTZCUFHR-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CCC(F)F ZINC001496119032 988277372 /nfs/dbraw/zinc/27/73/72/988277372.db2.gz ZZBOSSUOAKCYIR-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C ZINC001496210740 988290966 /nfs/dbraw/zinc/29/09/66/988290966.db2.gz RUVANILWZJKTOH-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H](C)CCC ZINC001496678501 988324595 /nfs/dbraw/zinc/32/45/95/988324595.db2.gz BXTCSHOPYNKDSS-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001322573839 988328498 /nfs/dbraw/zinc/32/84/98/988328498.db2.gz CIRADSSEFYHPFG-DZGCQCFKSA-N 1 0 233.355 2.453 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C)C(=O)C1(C)CCC1 ZINC001496760262 988328905 /nfs/dbraw/zinc/32/89/05/988328905.db2.gz LNDXHUUTMUXRPV-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]C(C)C ZINC001496873381 988334645 /nfs/dbraw/zinc/33/46/45/988334645.db2.gz ITSLSQUTUVPEIE-QWHCGFSZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)CCC[NH2+]CC ZINC001322640145 988350170 /nfs/dbraw/zinc/35/01/70/988350170.db2.gz GUIOFTVVPSWXLP-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO N#CC1CCC(N2CCCC[C@@]23CC[NH2+]C3)CC1 ZINC001246642744 988351054 /nfs/dbraw/zinc/35/10/54/988351054.db2.gz JKQUOROXSHFWPR-NRXISQOPSA-N 1 0 247.386 2.287 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC1(C)C ZINC001497253247 988366569 /nfs/dbraw/zinc/36/65/69/988366569.db2.gz QKVBJDLPCUOROT-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC001497275702 988367085 /nfs/dbraw/zinc/36/70/85/988367085.db2.gz JOGZBFZHUIHGMN-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C1(CC)CCC1 ZINC001497255515 988368439 /nfs/dbraw/zinc/36/84/39/988368439.db2.gz YFERSWIGUYYKCB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)C(C)(C)CC ZINC001497259981 988369226 /nfs/dbraw/zinc/36/92/26/988369226.db2.gz NEIFAZPGAKJHAB-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001497247926 988369521 /nfs/dbraw/zinc/36/95/21/988369521.db2.gz MCONNOWFLYMDQI-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC001497275699 988369869 /nfs/dbraw/zinc/36/98/69/988369869.db2.gz JOGZBFZHUIHGMN-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CC1(C)C ZINC001497372314 988379384 /nfs/dbraw/zinc/37/93/84/988379384.db2.gz XGKKZDCJGYKVDE-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H](C)C1 ZINC001497465593 988385867 /nfs/dbraw/zinc/38/58/67/988385867.db2.gz YORULRCXTUIWQY-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](NC(=O)CC(C)C)C1CC1 ZINC001322952033 988415026 /nfs/dbraw/zinc/41/50/26/988415026.db2.gz JIUOLIWYKBKIHG-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)C1=CCCC1)C1CC1 ZINC001322985703 988423868 /nfs/dbraw/zinc/42/38/68/988423868.db2.gz JLEICCYMRMYTHI-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C1(CCCC)CC1 ZINC001497905300 988429636 /nfs/dbraw/zinc/42/96/36/988429636.db2.gz IVLKBMMRCLAJOO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CC1CCC(O)CC1)C1CC1 ZINC001118556969 988430983 /nfs/dbraw/zinc/43/09/83/988430983.db2.gz LXYCDKNJABUVBO-DCBWTQNWSA-N 1 0 236.359 2.162 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C[NH2+]CC)C1CC1 ZINC001323064781 988439789 /nfs/dbraw/zinc/43/97/89/988439789.db2.gz RCVCADVBXWVDQR-TZMCWYRMSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC001498022902 988444785 /nfs/dbraw/zinc/44/47/85/988444785.db2.gz AOWRFUZJVKGVSG-GUOLPTJISA-N 1 0 238.375 2.259 20 30 BEEDRO C[C@@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC001246767920 988453998 /nfs/dbraw/zinc/45/39/98/988453998.db2.gz CZYQHDVLGGBRDV-IUODEOHRSA-N 1 0 243.354 2.131 20 30 BEEDRO CCCCN(CCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246770655 988454949 /nfs/dbraw/zinc/45/49/49/988454949.db2.gz QUQUNEJTHGWYFQ-PBWFPOADSA-N 1 0 235.375 2.285 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](F)C(C)C ZINC001498089719 988457134 /nfs/dbraw/zinc/45/71/34/988457134.db2.gz UEEDFOOSSUHMIZ-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](CC)CC(C)C ZINC001498156546 988461681 /nfs/dbraw/zinc/46/16/81/988461681.db2.gz FFFORINKDXKTFG-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)C[N@@H+](C)CCC ZINC001498296434 988480687 /nfs/dbraw/zinc/48/06/87/988480687.db2.gz YMUZPWKIJZHQOH-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC1(C)C ZINC001498535032 988492222 /nfs/dbraw/zinc/49/22/22/988492222.db2.gz XGBFFSQGUKPQEK-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@H]1C[NH2+][C@@H](C)C1 ZINC001246840837 988544455 /nfs/dbraw/zinc/54/44/55/988544455.db2.gz RKFWVXLVGLBRMB-DZGCQCFKSA-N 1 0 230.355 2.425 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)c2cocc2C)CC1 ZINC001499318371 988549131 /nfs/dbraw/zinc/54/91/31/988549131.db2.gz UQLABZGPZPHVTB-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@@H]1C[NH2+][C@H](C)C1 ZINC001246840838 988550186 /nfs/dbraw/zinc/55/01/86/988550186.db2.gz RKFWVXLVGLBRMB-HIFRSBDPSA-N 1 0 230.355 2.425 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001499805479 988559361 /nfs/dbraw/zinc/55/93/61/988559361.db2.gz ICPROKRYLARMNM-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001499805480 988560039 /nfs/dbraw/zinc/56/00/39/988560039.db2.gz ICPROKRYLARMNM-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+]([C@@H](C)C#CCC)C1 ZINC001323729050 988601641 /nfs/dbraw/zinc/60/16/41/988601641.db2.gz NOIRHBGVJZZOHN-QWHCGFSZSA-N 1 0 207.317 2.065 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CCC[N@@H+](C)CC ZINC001502378744 988639542 /nfs/dbraw/zinc/63/95/42/988639542.db2.gz IQWZIFSINXBXDV-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C(=C)C ZINC001503414150 988663160 /nfs/dbraw/zinc/66/31/60/988663160.db2.gz KDZTWKNZOQUBDM-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@H]1C[NH2+]CC ZINC001505408285 988676642 /nfs/dbraw/zinc/67/66/42/988676642.db2.gz PPISSRMGWPXMGJ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001505613238 988703828 /nfs/dbraw/zinc/70/38/28/988703828.db2.gz FQBWKEIKVDKTCR-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)CCC ZINC001505680901 988705958 /nfs/dbraw/zinc/70/59/58/988705958.db2.gz GTBNYXOTWUETNH-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO CC(C)(C)c1cn(CCOCCC#N)cn1 ZINC001118927735 988712984 /nfs/dbraw/zinc/71/29/84/988712984.db2.gz SDNQGBMIJOHUKE-UHFFFAOYSA-N 1 0 221.304 2.111 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CCCC ZINC001505979196 988746492 /nfs/dbraw/zinc/74/64/92/988746492.db2.gz ROFPCOATYCMCFP-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)C(C)(C)C ZINC001506560972 988783653 /nfs/dbraw/zinc/78/36/53/988783653.db2.gz SFACLVLNEDSRCK-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC[NH+]1CC([C@@H](C)NC(=O)C(C)C)C1 ZINC001506592701 988792067 /nfs/dbraw/zinc/79/20/67/988792067.db2.gz VIAILLLXVZQCAK-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](F)CC ZINC001507057249 988812581 /nfs/dbraw/zinc/81/25/81/988812581.db2.gz QVYJEYCMTPWZHT-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C1CC1 ZINC001507059246 988813502 /nfs/dbraw/zinc/81/35/02/988813502.db2.gz DHNDWRQISLLENN-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001507112917 988815089 /nfs/dbraw/zinc/81/50/89/988815089.db2.gz LIARFYAGWFMDJK-OLZOCXBDSA-N 1 0 240.391 2.434 20 30 BEEDRO C[C@H](CCCC#N)N1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012521 988840155 /nfs/dbraw/zinc/84/01/55/988840155.db2.gz DWBDFJJRCJUPQU-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CCCC#N)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247012524 988840838 /nfs/dbraw/zinc/84/08/38/988840838.db2.gz DWBDFJJRCJUPQU-RDBSUJKOSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC001119237464 988852307 /nfs/dbraw/zinc/85/23/07/988852307.db2.gz HDCPREUGQKSDDY-QWHCGFSZSA-N 1 0 239.359 2.269 20 30 BEEDRO C[C@H](CCC#N)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001119237342 988853599 /nfs/dbraw/zinc/85/35/99/988853599.db2.gz UATAXVJFCGTCQC-HABKJSAYSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CCN(CCC[NH+](CC)CC)CC1CC1 ZINC001324563608 988874915 /nfs/dbraw/zinc/87/49/15/988874915.db2.gz MGLKTSAFYYYMNW-UHFFFAOYSA-N 1 0 222.376 2.064 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001324634610 988899344 /nfs/dbraw/zinc/89/93/44/988899344.db2.gz BTTMZUYFWDFWRT-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC001119302867 988911579 /nfs/dbraw/zinc/91/15/79/988911579.db2.gz VNZGFOLXYFBKTB-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C2=CCCC2)C1 ZINC001324716679 988944017 /nfs/dbraw/zinc/94/40/17/988944017.db2.gz ZPYYOWMVRMDEHO-OAHLLOKOSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC001514882729 988955661 /nfs/dbraw/zinc/95/56/61/988955661.db2.gz MMTSYFPQFJMZJG-OLZOCXBDSA-N 1 0 236.359 2.071 20 30 BEEDRO C#C[C@H]1CC[C@H](Nc2cc[nH+]cc2)CC1 ZINC001515251879 989011162 /nfs/dbraw/zinc/01/11/62/989011162.db2.gz LWNOLXZXEIQGEK-HAQNSBGRSA-N 1 0 200.285 2.107 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)CCC)[C@@H]1C ZINC001278492613 989015064 /nfs/dbraw/zinc/01/50/64/989015064.db2.gz FPHNPHWMPZFDND-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC001119450315 989079406 /nfs/dbraw/zinc/07/94/06/989079406.db2.gz PGADYVWDTSHWOB-BFHYXJOUSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCCC ZINC001119450316 989080837 /nfs/dbraw/zinc/08/08/37/989080837.db2.gz PGADYVWDTSHWOB-MCIONIFRSA-N 1 0 223.360 2.319 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC001325196939 989115185 /nfs/dbraw/zinc/11/51/85/989115185.db2.gz KYKYTYQJNRRPTD-XQHKEYJVSA-N 1 0 236.359 2.472 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CCOC[C@@H]1C ZINC001248748845 989140961 /nfs/dbraw/zinc/14/09/61/989140961.db2.gz XXBOURDYXMPOIU-LBPRGKRZSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H]1COC ZINC001248753207 989146572 /nfs/dbraw/zinc/14/65/72/989146572.db2.gz WZTZFWJFZFTRLJ-HNNXBMFYSA-N 1 0 244.338 2.341 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC001325302146 989153770 /nfs/dbraw/zinc/15/37/70/989153770.db2.gz BGOQDYMXEXNPIX-GFCCVEGCSA-N 1 0 221.300 2.365 20 30 BEEDRO C=CC[N@@H+](Cc1cccc(=O)n1C)C(C)(C)C ZINC001248810134 989172190 /nfs/dbraw/zinc/17/21/90/989172190.db2.gz ZQPRVIGORWDYNC-UHFFFAOYSA-N 1 0 234.343 2.172 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC)C1 ZINC001325367487 989173589 /nfs/dbraw/zinc/17/35/89/989173589.db2.gz VMIIOSIHTZQEBD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248824232 989184218 /nfs/dbraw/zinc/18/42/18/989184218.db2.gz DSOMJAQSCDLXQH-CYBMUJFWSA-N 1 0 228.339 2.280 20 30 BEEDRO C#CC[N@@H+](Cc1ccc2c(n1)CCC2)CC1CC1 ZINC001325501192 989201786 /nfs/dbraw/zinc/20/17/86/989201786.db2.gz FAWVZNYVCFACBO-UHFFFAOYSA-N 1 0 240.350 2.416 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)CCCC2CC2)CC1 ZINC001517136468 989205592 /nfs/dbraw/zinc/20/55/92/989205592.db2.gz BHAPAXXNRCQZMO-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001325617363 989217037 /nfs/dbraw/zinc/21/70/37/989217037.db2.gz YRHUZGISVYAYKT-VIFPVBQESA-N 1 0 245.244 2.395 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2c1cccc2OC ZINC001325620494 989218877 /nfs/dbraw/zinc/21/88/77/989218877.db2.gz ZOCFLFHKSZZRPR-BXUZGUMPSA-N 1 0 247.338 2.473 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001119614365 989241618 /nfs/dbraw/zinc/24/16/18/989241618.db2.gz XNCTUWOFDGSZAY-BXUZGUMPSA-N 1 0 247.338 2.301 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC001119614368 989242277 /nfs/dbraw/zinc/24/22/77/989242277.db2.gz XNCTUWOFDGSZAY-SMDDNHRTSA-N 1 0 247.338 2.301 20 30 BEEDRO CCCC[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249082187 989249995 /nfs/dbraw/zinc/24/99/95/989249995.db2.gz KGRGOXCNKDRZJG-UHFFFAOYSA-N 1 0 242.326 2.438 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001325875322 989297006 /nfs/dbraw/zinc/29/70/06/989297006.db2.gz UNOCKRZGBMMFIK-KGLIPLIRSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccccc1CC ZINC001326015828 989328883 /nfs/dbraw/zinc/32/88/83/989328883.db2.gz SBIBIPSRTPXCSG-UHFFFAOYSA-N 1 0 231.339 2.331 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@](O)(CC)C(F)(F)F ZINC001119690151 989334937 /nfs/dbraw/zinc/33/49/37/989334937.db2.gz MDIWNGXYDBQVOS-LLVKDONJSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CCC[NH+]1CCN(CCCC(C)(F)F)CC1 ZINC001119691242 989337567 /nfs/dbraw/zinc/33/75/67/989337567.db2.gz GZWZEJGPRCPYSZ-UHFFFAOYSA-N 1 0 244.329 2.063 20 30 BEEDRO C#CCOCC[N@H+](C)CCCC(C)(F)F ZINC001119692368 989341329 /nfs/dbraw/zinc/34/13/29/989341329.db2.gz FLSRJEREQKRGND-UHFFFAOYSA-N 1 0 219.275 2.003 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)CCOCc1ccccc1 ZINC001119744415 989378719 /nfs/dbraw/zinc/37/87/19/989378719.db2.gz AQMSGFKCFGEJML-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO C[C@H](O)[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001119780278 989397933 /nfs/dbraw/zinc/39/79/33/989397933.db2.gz GLRKASKBMNLGEX-GFJIZPEISA-N 1 0 236.359 2.019 20 30 BEEDRO C=C[C@H](COC)[NH2+]C1CCC(F)(F)CC1 ZINC001326186888 989412501 /nfs/dbraw/zinc/41/25/01/989412501.db2.gz CIVXPBLWQFIWRP-SECBINFHSA-N 1 0 219.275 2.355 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C(C)C)C1 ZINC001326191856 989412748 /nfs/dbraw/zinc/41/27/48/989412748.db2.gz SDMHBHGTSYDGOI-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H](CCO)C2CC2)CC1 ZINC001119814450 989422303 /nfs/dbraw/zinc/42/23/03/989422303.db2.gz SJXXTBITLVNGGV-ORHYLEIMSA-N 1 0 236.359 2.067 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC001519601134 989441156 /nfs/dbraw/zinc/44/11/56/989441156.db2.gz CAMHZWNHXXUQJC-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnc(F)c(C)c1 ZINC001119953710 989507970 /nfs/dbraw/zinc/50/79/70/989507970.db2.gz QYMBNGSAIANXBK-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C=C(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC001520175134 989520122 /nfs/dbraw/zinc/52/01/22/989520122.db2.gz QNJDHFZAPCWWHV-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CCCC(F)(F)F ZINC001119976812 989536498 /nfs/dbraw/zinc/53/64/98/989536498.db2.gz HMHPLULVVGOSKX-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccn1C1CC1 ZINC001326447227 989559721 /nfs/dbraw/zinc/55/97/21/989559721.db2.gz SCIFOCJSWJKOQZ-UHFFFAOYSA-N 1 0 234.343 2.457 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1C[C@]1(C)Br ZINC001120040029 989573891 /nfs/dbraw/zinc/57/38/91/989573891.db2.gz QDQOWBZYYUDATM-IUCAKERBSA-N 1 0 218.138 2.278 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CCc1ccc(F)cc1 ZINC001120063909 989585720 /nfs/dbraw/zinc/58/57/20/989585720.db2.gz LXFQHYQZWAMVBF-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)CCC ZINC001326681938 989654231 /nfs/dbraw/zinc/65/42/31/989654231.db2.gz OGOFXAHZKTZZHB-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCC#N)cnn1C ZINC001326709936 989660550 /nfs/dbraw/zinc/66/05/50/989660550.db2.gz RXMALGFPZFZBAL-NXEZZACHSA-N 1 0 220.320 2.071 20 30 BEEDRO C=C(CC)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC001521575570 989749019 /nfs/dbraw/zinc/74/90/19/989749019.db2.gz MJCWUFKTVWVETB-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)CC)c1ccc(Cl)cc1 ZINC001120590914 989758228 /nfs/dbraw/zinc/75/82/28/989758228.db2.gz SUDGNVQPQDJLDE-OLZOCXBDSA-N 1 0 237.730 2.375 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCCc2cccnc21 ZINC001326995530 989800799 /nfs/dbraw/zinc/80/07/99/989800799.db2.gz DPMSDGYOZUVGJZ-STQMWFEESA-N 1 0 232.327 2.250 20 30 BEEDRO CCCCCCCNC(=O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001522150519 989833321 /nfs/dbraw/zinc/83/33/21/989833321.db2.gz NGMWECZVOXWCFV-OCCSQVGLSA-N 1 0 238.375 2.215 20 30 BEEDRO C#Cc1ccc(NC2CC[NH+](C3CC3)CC2)nc1 ZINC001120798582 989887120 /nfs/dbraw/zinc/88/71/20/989887120.db2.gz VRZFKUBQVRLMCN-UHFFFAOYSA-N 1 0 241.338 2.102 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Nc2cc(Cl)ccn2)C1 ZINC001120874548 989939300 /nfs/dbraw/zinc/93/93/00/989939300.db2.gz LQCYNFAPSSVUDN-GFCCVEGCSA-N 1 0 249.745 2.245 20 30 BEEDRO C#Cc1ccc(NCC[NH+]2CCCCCC2)nc1 ZINC001120881386 989943297 /nfs/dbraw/zinc/94/32/97/989943297.db2.gz CMYDPSFHFZMHQS-UHFFFAOYSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1CC ZINC001121850550 990100679 /nfs/dbraw/zinc/10/06/79/990100679.db2.gz COPIMFGAVKBTSA-RYUDHWBXSA-N 1 0 224.348 2.071 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)CCC ZINC001121847675 990101054 /nfs/dbraw/zinc/10/10/54/990101054.db2.gz BPOVXZHSZLRQPO-RYUDHWBXSA-N 1 0 226.364 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C(C)C)C1CC1 ZINC001121918370 990126048 /nfs/dbraw/zinc/12/60/48/990126048.db2.gz HBTBZLWJOOOTNA-LBPRGKRZSA-N 1 0 224.348 2.069 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(N)c(C)c1 ZINC001121931279 990129287 /nfs/dbraw/zinc/12/92/87/990129287.db2.gz JESVVEVWLWAQSC-ZDUSSCGKSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(O)c1 ZINC001121931112 990133992 /nfs/dbraw/zinc/13/39/92/990133992.db2.gz DCJRVAIGRRPOFU-LBPRGKRZSA-N 1 0 234.299 2.014 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC2(CCC2)C1 ZINC001121958733 990157261 /nfs/dbraw/zinc/15/72/61/990157261.db2.gz CVRFHXVSFLISAR-GFCCVEGCSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC1(C(C)C)CC1 ZINC001121966766 990159557 /nfs/dbraw/zinc/15/95/57/990159557.db2.gz SEKXMZXZOFEHNJ-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(CC)C(=O)NC1CC[NH+](CCCC)CC1 ZINC001527687459 990235871 /nfs/dbraw/zinc/23/58/71/990235871.db2.gz ZCRPDXGJXUGKLY-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC001528079037 990268617 /nfs/dbraw/zinc/26/86/17/990268617.db2.gz JKBSCKOIQHDBIO-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC12CCC2 ZINC001122169058 990273822 /nfs/dbraw/zinc/27/38/22/990273822.db2.gz JAQIAODZYVDNSX-LBPRGKRZSA-N 1 0 236.359 2.215 20 30 BEEDRO CC(C)([NH3+])c1ccc(NC(=O)C#CC2CC2)cc1 ZINC001122321689 990340741 /nfs/dbraw/zinc/34/07/41/990340741.db2.gz XEZPFCBYZCBFCU-UHFFFAOYSA-N 1 0 242.322 2.232 20 30 BEEDRO C=CC(C)(C)NC(=O)CC1(C[NH3+])CCCCC1 ZINC001122328312 990344442 /nfs/dbraw/zinc/34/44/42/990344442.db2.gz FUMCHOUFCMCSRP-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CC(C)C ZINC001122794773 990447830 /nfs/dbraw/zinc/44/78/30/990447830.db2.gz ANFMQRXTOHSVAA-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)/C=C(\C)CCC)CC1 ZINC001123348556 990554543 /nfs/dbraw/zinc/55/45/43/990554543.db2.gz CONYNAQQDAASNX-OUKQBFOZSA-N 1 0 249.354 2.374 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CC(C)(C)C ZINC001123616944 990629144 /nfs/dbraw/zinc/62/91/44/990629144.db2.gz BGOVJPFKBZZPRX-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001123756340 990651596 /nfs/dbraw/zinc/65/15/96/990651596.db2.gz RYLZDUZGWVSIBU-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC)C(=O)N1CC[N@H+](C)C[C@H]1CC(C)C ZINC001124052433 990744030 /nfs/dbraw/zinc/74/40/30/990744030.db2.gz XICYKYAKGPXESF-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]CC/C=C\CC ZINC001124640944 990800139 /nfs/dbraw/zinc/80/01/39/990800139.db2.gz VMQQRMJTLJYMFZ-ALCCZGGFSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)/C(=C/C)CC ZINC001556466536 990828268 /nfs/dbraw/zinc/82/82/68/990828268.db2.gz CNQCHRBNMXAVKH-NTUHNPAUSA-N 1 0 238.375 2.309 20 30 BEEDRO C#CCOc1ccc(C[N@@H+]2CC[C@@H]2C)cc1OC ZINC001138344006 990922765 /nfs/dbraw/zinc/92/27/65/990922765.db2.gz VBFYGUPQYQHKBT-LBPRGKRZSA-N 1 0 245.322 2.301 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H](CC[NH+](C)C)C1 ZINC001558295036 990934953 /nfs/dbraw/zinc/93/49/53/990934953.db2.gz NTPNRQKLMCXLPP-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001558504797 990950602 /nfs/dbraw/zinc/95/06/02/990950602.db2.gz WBABTEGKEOGGTE-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnsc1 ZINC001308387128 990977224 /nfs/dbraw/zinc/97/72/24/990977224.db2.gz BQGLLEAMLRSMQX-NEPJUHHUSA-N 1 0 238.356 2.214 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OC)cc1CC ZINC001308388476 990979432 /nfs/dbraw/zinc/97/94/32/990979432.db2.gz LBPYESCXKLEMJI-CQSZACIVSA-N 1 0 249.354 2.284 20 30 BEEDRO C=CCc1cccc(C[N@@H+](C)CCOC)c1O ZINC001138624758 990988189 /nfs/dbraw/zinc/98/81/89/990988189.db2.gz SYVTXKDLJHDKDU-UHFFFAOYSA-N 1 0 235.327 2.199 20 30 BEEDRO CCCn1cncc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001308443439 990998578 /nfs/dbraw/zinc/99/85/78/990998578.db2.gz JZIZGARNEFWKDI-NWDGAFQWSA-N 1 0 232.331 2.075 20 30 BEEDRO C=C(C)COc1ccccc1C[NH+]1CC(CO)C1 ZINC001138664298 991002615 /nfs/dbraw/zinc/00/26/15/991002615.db2.gz MKSQEJZTLIJMBK-UHFFFAOYSA-N 1 0 247.338 2.066 20 30 BEEDRO N#CC1CC[NH+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001138736096 991025094 /nfs/dbraw/zinc/02/50/94/991025094.db2.gz GOIIEFIMFOLHSR-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CCCC(=O)OCC ZINC001258124263 991028141 /nfs/dbraw/zinc/02/81/41/991028141.db2.gz HBCDYGLBWDPPHS-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO N#CC1(C[NH2+]Cc2cccs2)CCOCC1 ZINC001308548843 991030610 /nfs/dbraw/zinc/03/06/10/991030610.db2.gz JXOSVMZVEMASGX-UHFFFAOYSA-N 1 0 236.340 2.158 20 30 BEEDRO C#CC[N@@H+](CC#CC)CC1(C(C)C)CC1 ZINC001308618825 991052256 /nfs/dbraw/zinc/05/22/56/991052256.db2.gz IAFHXMHHHWFBMT-UHFFFAOYSA-N 1 0 203.329 2.381 20 30 BEEDRO C[C@H](Cc1ccco1)N1CC[C@H](C#N)C1 ZINC001258196478 991109198 /nfs/dbraw/zinc/10/91/98/991109198.db2.gz XGNXAODSCIOAIR-GHMZBOCLSA-N 1 0 204.273 2.056 20 30 BEEDRO C[C@@H](Cc1ccco1)N1CC[C@H](C#N)C1 ZINC001258196481 991111037 /nfs/dbraw/zinc/11/10/37/991111037.db2.gz XGNXAODSCIOAIR-WDEREUQCSA-N 1 0 204.273 2.056 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](C)CC1COC1 ZINC001139029878 991126884 /nfs/dbraw/zinc/12/68/84/991126884.db2.gz UCNCWRZTINCFCK-UHFFFAOYSA-N 1 0 247.338 2.330 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001308775152 991128229 /nfs/dbraw/zinc/12/82/29/991128229.db2.gz HDUGUZBMOOSOIN-QNSTZXKLSA-N 1 0 221.344 2.498 20 30 BEEDRO CSCC[C@@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001258212481 991131899 /nfs/dbraw/zinc/13/18/99/991131899.db2.gz SSNJBQQSYIQMSM-SECBINFHSA-N 1 0 224.329 2.382 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2cccnc2c1 ZINC001139168166 991180374 /nfs/dbraw/zinc/18/03/74/991180374.db2.gz IWNJDHBHYWBGGY-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)c1cccc(C#N)c1 ZINC001308938373 991223647 /nfs/dbraw/zinc/22/36/47/991223647.db2.gz KRZYRMRWORBJOG-RABLLNBGSA-N 1 0 242.322 2.244 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001559734563 991234842 /nfs/dbraw/zinc/23/48/42/991234842.db2.gz RCDNDZDVJPOKRY-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO COC(=O)CC[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001258351829 991282315 /nfs/dbraw/zinc/28/23/15/991282315.db2.gz XQQVFPRKPVTXEX-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO COC(=O)CC[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001258351826 991286404 /nfs/dbraw/zinc/28/64/04/991286404.db2.gz XQQVFPRKPVTXEX-IJLUTSLNSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](CC)CC(=C)C ZINC001317478994 991286643 /nfs/dbraw/zinc/28/66/43/991286643.db2.gz FVTYHQSRBFIYHQ-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO COC(=O)CC[C@H](C)[NH2+]C1(CC#N)CCCC1 ZINC001258363291 991301275 /nfs/dbraw/zinc/30/12/75/991301275.db2.gz GCURNLIHENLXSA-NSHDSACASA-N 1 0 238.331 2.144 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC1(CCC)CC1 ZINC001340127572 991304451 /nfs/dbraw/zinc/30/44/51/991304451.db2.gz AAFLVFBHXGQIER-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO N#CCCCC[NH+]1CCC(c2ccncn2)CC1 ZINC001559906833 991321526 /nfs/dbraw/zinc/32/15/26/991321526.db2.gz ZHYYSRPYTGESQH-UHFFFAOYSA-N 1 0 244.342 2.350 20 30 BEEDRO CC[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139701655 991329026 /nfs/dbraw/zinc/32/90/26/991329026.db2.gz NLXYYVLUKZWROI-UHFFFAOYSA-N 1 0 213.284 2.491 20 30 BEEDRO N#CCc1ccc(C[NH2+]Cc2cc[nH]c2)cc1 ZINC001202964869 991352756 /nfs/dbraw/zinc/35/27/56/991352756.db2.gz VKPSMHKYVILQLA-UHFFFAOYSA-N 1 0 225.295 2.371 20 30 BEEDRO CC12CC(C[N@@H+]3CCC[C@@H](CC#N)C3)(C1)CO2 ZINC001559991895 991354533 /nfs/dbraw/zinc/35/45/33/991354533.db2.gz JXDJCAXIZXTSNO-HSBZDZAISA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CC2(O)CCCCCC2)C1 ZINC001560017821 991357767 /nfs/dbraw/zinc/35/77/67/991357767.db2.gz VQGXFLTYSAVLKU-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC(C)(C)C2)cn1 ZINC001139770649 991364270 /nfs/dbraw/zinc/36/42/70/991364270.db2.gz VUVCEWMCTYZYML-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO C#CC[N@@H+](C[C@@H](CC(C)C)OC)C(C)C ZINC001560164902 991397245 /nfs/dbraw/zinc/39/72/45/991397245.db2.gz SCLRZWXEVZLDNT-CYBMUJFWSA-N 1 0 211.349 2.391 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(C#N)nc1 ZINC001258453451 991403041 /nfs/dbraw/zinc/40/30/41/991403041.db2.gz QRMFUWBKMQVWGF-SNVBAGLBSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@@H](CC1CC1)[NH2+]Cc1cc(C#N)co1 ZINC001258455863 991409860 /nfs/dbraw/zinc/40/98/60/991409860.db2.gz FIARKSHFDFVHKZ-VIFPVBQESA-N 1 0 204.273 2.429 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)C[C@H](C)CC ZINC001316818553 991412409 /nfs/dbraw/zinc/41/24/09/991412409.db2.gz GLCYQUJJPPSETO-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO CC#CCN1C[C@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001560216754 991423528 /nfs/dbraw/zinc/42/35/28/991423528.db2.gz BZQMOWZQTZYMBM-HUUCEWRRSA-N 1 0 234.387 2.204 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CCCC)C1 ZINC001316971639 991433059 /nfs/dbraw/zinc/43/30/59/991433059.db2.gz ZCQVXUIMEJNLLP-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[NH2+][C@@H](CNC(=O)C(C)C)C1CC1 ZINC001317019140 991440940 /nfs/dbraw/zinc/44/09/40/991440940.db2.gz RTJJWEHDHMHVFN-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[N@H+](C)[C@@H]1CCN(CCCC(C)(C)C#N)C1 ZINC001560243051 991441936 /nfs/dbraw/zinc/44/19/36/991441936.db2.gz NGTOSJVSFNXOQT-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)CCC)C1 ZINC001317056281 991445513 /nfs/dbraw/zinc/44/55/13/991445513.db2.gz JWGQXLCYUDJKJU-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+]1CC[C@@]2(NC(=O)CCC)CCC[C@@H]12 ZINC001332063359 991450219 /nfs/dbraw/zinc/45/02/19/991450219.db2.gz GXKOLWKPTQWZTQ-OCCSQVGLSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC)C1 ZINC001317099537 991451042 /nfs/dbraw/zinc/45/10/42/991451042.db2.gz GYIWDBPRUOQQNG-UPJWGTAASA-N 1 0 238.375 2.378 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CCC(=O)OCC ZINC001258479538 991454022 /nfs/dbraw/zinc/45/40/22/991454022.db2.gz IDRKRYLNTIXZBB-YPMHNXCESA-N 1 0 225.332 2.110 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001317107397 991454695 /nfs/dbraw/zinc/45/46/95/991454695.db2.gz JRZHCCDSXDWJJG-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)CC1CC1 ZINC001317222175 991461135 /nfs/dbraw/zinc/46/11/35/991461135.db2.gz KIMKKACJYFMVTG-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)CC1CC1 ZINC001317222173 991462719 /nfs/dbraw/zinc/46/27/19/991462719.db2.gz KIMKKACJYFMVTG-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H](C)CCC ZINC001317229502 991468445 /nfs/dbraw/zinc/46/84/45/991468445.db2.gz FLSTYMOYZZTMDV-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H](C)C1CC1 ZINC001317236419 991472539 /nfs/dbraw/zinc/47/25/39/991472539.db2.gz YFAPEEOWIKVBQY-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C1CC(C)C1 ZINC001317243458 991474380 /nfs/dbraw/zinc/47/43/80/991474380.db2.gz YTZJWUGDIWNDCH-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC001560429663 991476284 /nfs/dbraw/zinc/47/62/84/991476284.db2.gz XCTMFNBBPZFQCB-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC001560429664 991476396 /nfs/dbraw/zinc/47/63/96/991476396.db2.gz XCTMFNBBPZFQCB-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH2+]CCCF ZINC001317267849 991479232 /nfs/dbraw/zinc/47/92/32/991479232.db2.gz YLMSRYXGLICAIQ-WCQYABFASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C1(CC)CCCC1 ZINC001317274112 991483800 /nfs/dbraw/zinc/48/38/00/991483800.db2.gz DENCHXMVXAVVFP-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)CC ZINC001317271399 991484810 /nfs/dbraw/zinc/48/48/10/991484810.db2.gz ZVUPJWQTJCSDCX-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CCCCCCC[N@H+](C)Cc1nccnc1N ZINC001140015734 991486895 /nfs/dbraw/zinc/48/68/95/991486895.db2.gz LSYIKTLPNAJDCG-UHFFFAOYSA-N 1 0 236.363 2.461 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C(C)(C)C ZINC001317279755 991487787 /nfs/dbraw/zinc/48/77/87/991487787.db2.gz MFIXCHRDWMXISM-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccnn2C2CCC2)C1 ZINC001560512356 991494406 /nfs/dbraw/zinc/49/44/06/991494406.db2.gz UHZKJXHRDJVQEO-NWDGAFQWSA-N 1 0 244.342 2.390 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)NO ZINC001258600931 991502321 /nfs/dbraw/zinc/50/23/21/991502321.db2.gz BVEAMZAAMZTIGZ-AXFHLTTASA-N 1 0 242.363 2.075 20 30 BEEDRO C=CCN1CC[NH+]([C@H]2CCC(C)(C)C2)CC1 ZINC001258606469 991517918 /nfs/dbraw/zinc/51/79/18/991517918.db2.gz YJOIXQMZGHRFFH-ZDUSSCGKSA-N 1 0 222.376 2.369 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)Cc1cccnc1 ZINC001258614631 991542755 /nfs/dbraw/zinc/54/27/55/991542755.db2.gz SGBDPNHFKCXTSO-JSGCOSHPSA-N 1 0 216.328 2.404 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1C(C)C ZINC001317504890 991545365 /nfs/dbraw/zinc/54/53/65/991545365.db2.gz HILZJNRYLQPPEO-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO Cc1ccc(C)c(C[NH+]2CC(CC#N)C2)c1O ZINC001140178467 991550070 /nfs/dbraw/zinc/55/00/70/991550070.db2.gz MESKYROMVRLPOP-UHFFFAOYSA-N 1 0 230.311 2.355 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)CC1CCCC1 ZINC001317563600 991550308 /nfs/dbraw/zinc/55/03/08/991550308.db2.gz GHJKCRIWNREGEM-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CC[N@@H+](C)Cc1c(C)ccc(C)c1O ZINC001140182486 991554951 /nfs/dbraw/zinc/55/49/51/991554951.db2.gz RVVVHTJZCZWHKI-UHFFFAOYSA-N 1 0 203.285 2.074 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C)CC ZINC001317571743 991557373 /nfs/dbraw/zinc/55/73/73/991557373.db2.gz VSPKFMDEUSMRFH-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@@H](OC)[C@H](C)CC ZINC001560688083 991559668 /nfs/dbraw/zinc/55/96/68/991559668.db2.gz XHAUFGCXZHMYKF-ZIAGYGMSSA-N 1 0 221.344 2.006 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CC[NH2+]CCCC ZINC001317634331 991568871 /nfs/dbraw/zinc/56/88/71/991568871.db2.gz QEWXZDJVQADIRE-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001317631182 991570166 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C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC001258736598 991689195 /nfs/dbraw/zinc/68/91/95/991689195.db2.gz XFOYRCHETKNDJL-YPMHNXCESA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCN(CC)C[C@H]1C ZINC001258736595 991689685 /nfs/dbraw/zinc/68/96/85/991689685.db2.gz XEQYXIPJKCWQRX-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc2nonc2c1 ZINC001561042148 991697152 /nfs/dbraw/zinc/69/71/52/991697152.db2.gz QECWEVKADJYCRT-UHFFFAOYSA-N 1 0 217.272 2.277 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]CCNc1ncccc1C#N ZINC001561057278 991711195 /nfs/dbraw/zinc/71/11/95/991711195.db2.gz LCCUNRZCGJPVDZ-GFCCVEGCSA-N 1 0 246.358 2.389 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]CCNc1ncccc1C#N ZINC001561057414 991711954 /nfs/dbraw/zinc/71/19/54/991711954.db2.gz OIHLTFODHBJSTN-NWDGAFQWSA-N 1 0 246.358 2.389 20 30 BEEDRO CCCCCCCC(=O)NCC[NH+]1CC=CC1 ZINC001318891699 991729146 /nfs/dbraw/zinc/72/91/46/991729146.db2.gz OEMSJIYOSHNURF-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001258807031 991809032 /nfs/dbraw/zinc/80/90/32/991809032.db2.gz DGIAPWQOSXDMRW-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC001258807785 991812645 /nfs/dbraw/zinc/81/26/45/991812645.db2.gz VBNUKGBHWNINJN-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)CC)C1 ZINC001565849905 991814254 /nfs/dbraw/zinc/81/42/54/991814254.db2.gz AGMPAVJFHHHYAK-TXEJJXNPSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC ZINC001565961368 991816720 /nfs/dbraw/zinc/81/67/20/991816720.db2.gz SRGNXSWVXVHXMY-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[N@H+](CC)[C@@H]1CC ZINC001566019260 991821318 /nfs/dbraw/zinc/82/13/18/991821318.db2.gz IFAAVLKLXRBKQE-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)CCC ZINC001319233423 991822172 /nfs/dbraw/zinc/82/21/72/991822172.db2.gz OVUVRYVSQWAHOO-GFCCVEGCSA-N 1 0 240.391 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240.391 2.434 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC)C1 ZINC001568400101 992166028 /nfs/dbraw/zinc/16/60/28/992166028.db2.gz CTZCBJXDZTWTJX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC ZINC001568419138 992166178 /nfs/dbraw/zinc/16/61/78/992166178.db2.gz LNCOYGYDDZVLRN-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)NC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001568445875 992169957 /nfs/dbraw/zinc/16/99/57/992169957.db2.gz NWPRTGIXLJGFHN-CYBMUJFWSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)CC ZINC001320346892 992172903 /nfs/dbraw/zinc/17/29/03/992172903.db2.gz HUBSMPRSNVJSTI-ONGXEEELSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC ZINC001568519567 992181369 /nfs/dbraw/zinc/18/13/69/992181369.db2.gz LVMCWXRRBFLXBH-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1CC=CC1 ZINC001568523761 992183257 /nfs/dbraw/zinc/18/32/57/992183257.db2.gz 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ZINC001321355335 992521639 /nfs/dbraw/zinc/52/16/39/992521639.db2.gz OMLMGVVZLHRLKW-MJBXVCDLSA-N 1 0 235.375 2.000 20 30 BEEDRO CC#CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC001321411608 992535814 /nfs/dbraw/zinc/53/58/14/992535814.db2.gz RTONBFHUVGPOAD-UHFFFAOYSA-N 1 0 242.322 2.244 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001571402537 992550424 /nfs/dbraw/zinc/55/04/24/992550424.db2.gz YHNJJNAPKPWYSI-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001571402536 992551172 /nfs/dbraw/zinc/55/11/72/992551172.db2.gz YHNJJNAPKPWYSI-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC001571469316 992563326 /nfs/dbraw/zinc/56/33/26/992563326.db2.gz OJKQJLPMVNTZAP-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC)C1 ZINC001571542944 992570597 /nfs/dbraw/zinc/57/05/97/992570597.db2.gz VLQHFJAXVWNEEH-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C1CC(N(C)C(=O)CC(C)C)C1 ZINC001571653161 992580113 /nfs/dbraw/zinc/58/01/13/992580113.db2.gz HJCMXIDBFLRPTH-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO C#Cc1cccc(N(C)C(=O)[C@H]([NH3+])CC(C)C)c1 ZINC001573306471 992593898 /nfs/dbraw/zinc/59/38/98/992593898.db2.gz LPXYTZLLJKOISF-CQSZACIVSA-N 1 0 244.338 2.004 20 30 BEEDRO C=C(C)c1cccc(N[C@H]2CC[NH2+]C2)c1 ZINC001573307729 992596591 /nfs/dbraw/zinc/59/65/91/992596591.db2.gz MRCOJGDWXDAOKB-ZDUSSCGKSA-N 1 0 202.301 2.494 20 30 BEEDRO C=C(C)c1cccc(N[C@@H]2CC[NH2+]C2)c1 ZINC001573307702 992596652 /nfs/dbraw/zinc/59/66/52/992596652.db2.gz MRCOJGDWXDAOKB-CYBMUJFWSA-N 1 0 202.301 2.494 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCC=CCC1 ZINC001262051583 992634985 /nfs/dbraw/zinc/63/49/85/992634985.db2.gz TUFBYFCQNNXPML-LLVKDONJSA-N 1 0 242.750 2.071 20 30 BEEDRO C#CC1([NH2+]Cc2ncccc2C)CCCC1 ZINC001262113522 992687315 /nfs/dbraw/zinc/68/73/15/992687315.db2.gz QTGPYEUQEGFOKI-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(C#N)s1 ZINC001262159314 992717402 /nfs/dbraw/zinc/71/74/02/992717402.db2.gz QQHYREFPVKJDBY-UHFFFAOYSA-N 1 0 209.274 2.028 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC001262203151 992800177 /nfs/dbraw/zinc/80/01/77/992800177.db2.gz MMZSQHFCCXSJFZ-QWRGUYRKSA-N 1 0 249.310 2.267 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC001262332831 992839823 /nfs/dbraw/zinc/83/98/23/992839823.db2.gz MOMCGIKGZMRAIN-NWDGAFQWSA-N 1 0 236.340 2.229 20 30 BEEDRO C#CCCCCCCN1CC2(C1)CCC[NH2+]C2 ZINC001574545103 992876556 /nfs/dbraw/zinc/87/65/56/992876556.db2.gz NCDYGHODCBQFEO-UHFFFAOYSA-N 1 0 234.387 2.256 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1csc(N)n1 ZINC001574545768 992876829 /nfs/dbraw/zinc/87/68/29/992876829.db2.gz VRVDNQWYTYSOMV-UHFFFAOYSA-N 1 0 237.372 2.399 20 30 BEEDRO C#Cc1cccc(N(C)C(=O)[C@H](C)[NH2+]CCC)c1 ZINC001574766051 992898932 /nfs/dbraw/zinc/89/89/32/992898932.db2.gz MEJMIUPBNTWFFR-LBPRGKRZSA-N 1 0 244.338 2.019 20 30 BEEDRO C=C(C)CCC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC001574835622 992923184 /nfs/dbraw/zinc/92/31/84/992923184.db2.gz PMKZOGXTOKZXKA-ZDUSSCGKSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H](C)CCCC ZINC001574849491 992923936 /nfs/dbraw/zinc/92/39/36/992923936.db2.gz NQSOANOQRFJONR-MNOVXSKESA-N 1 0 246.782 2.493 20 30 BEEDRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001262568471 992924692 /nfs/dbraw/zinc/92/46/92/992924692.db2.gz WRNHKPUFEZEIDW-NWDGAFQWSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCC(C)C ZINC001574856818 992928707 /nfs/dbraw/zinc/92/87/07/992928707.db2.gz HJDPTNBTTMBASG-NSHDSACASA-N 1 0 246.782 2.399 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001574870781 992933754 /nfs/dbraw/zinc/93/37/54/992933754.db2.gz LYIBLKFTIYWOGS-LBPRGKRZSA-N 1 0 244.338 2.115 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[Si](C)(C)C ZINC001574901813 992941283 /nfs/dbraw/zinc/94/12/83/992941283.db2.gz RTGVLXZRMCRZKJ-NSHDSACASA-N 1 0 242.439 2.006 20 30 BEEDRO C=CCCCCCN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC001574907529 992941548 /nfs/dbraw/zinc/94/15/48/992941548.db2.gz PVDRAGOESORMHM-STQMWFEESA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)C[Si](C)(C)C ZINC001574901812 992943160 /nfs/dbraw/zinc/94/31/60/992943160.db2.gz RTGVLXZRMCRZKJ-LLVKDONJSA-N 1 0 242.439 2.006 20 30 BEEDRO CC#CC[C@@H]([NH3+])C(=O)Nc1cccc(Cl)c1 ZINC001574969875 992954732 /nfs/dbraw/zinc/95/47/32/992954732.db2.gz NMUVEYVRXWRFDI-LLVKDONJSA-N 1 0 236.702 2.019 20 30 BEEDRO C#Cc1ccc(NCCC[NH+](CC)CC)nc1 ZINC001262676008 993017598 /nfs/dbraw/zinc/01/75/98/993017598.db2.gz JXJKEQFMHQUJNL-UHFFFAOYSA-N 1 0 231.343 2.207 20 30 BEEDRO C=CCC[C@@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC001262711904 993053389 /nfs/dbraw/zinc/05/33/89/993053389.db2.gz MRCJJHOXIRUNPX-LLVKDONJSA-N 1 0 232.331 2.302 20 30 BEEDRO CC(C)CN(CCC[NH3+])c1ccc(C#N)cc1 ZINC001575593591 993078589 /nfs/dbraw/zinc/07/85/89/993078589.db2.gz MKKNUIGTIWWVJK-UHFFFAOYSA-N 1 0 231.343 2.369 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC001263075582 993101599 /nfs/dbraw/zinc/10/15/99/993101599.db2.gz UPIYFWIDYNZLIG-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001263086930 993104440 /nfs/dbraw/zinc/10/44/40/993104440.db2.gz SEOWBHKSCMOKKH-WCQYABFASA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001263085545 993104944 /nfs/dbraw/zinc/10/49/44/993104944.db2.gz DEGGKKZIKVQNFC-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001263109655 993120185 /nfs/dbraw/zinc/12/01/85/993120185.db2.gz CGPUZSANMBCQQD-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H]1CCC ZINC001263269149 993198716 /nfs/dbraw/zinc/19/87/16/993198716.db2.gz MMWSWHFJKUMOHW-OLZOCXBDSA-N 1 0 238.375 2.461 20 30 BEEDRO C=CC(C)(C)CC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC001263528881 993364817 /nfs/dbraw/zinc/36/48/17/993364817.db2.gz QINFVWYBDVXQMP-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000381293102 993383705 /nfs/dbraw/zinc/38/37/05/993383705.db2.gz FDJWFNARNXHCRP-JOYOIKCWSA-N 1 0 224.279 2.072 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@](C)(CO)C1 ZINC000381390337 993391311 /nfs/dbraw/zinc/39/13/11/993391311.db2.gz RTMATKUQSWYBKG-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCCCC(=O)OC ZINC000381597607 993408263 /nfs/dbraw/zinc/40/82/63/993408263.db2.gz MHALFMUGRPTPES-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CCC1CCOCC1 ZINC000382158911 993442485 /nfs/dbraw/zinc/44/24/85/993442485.db2.gz MAGRMBKQEWTOCJ-UHFFFAOYSA-N 1 0 243.350 2.444 20 30 BEEDRO CCCCCCN(O)C(=O)c1coc(C[NH3+])c1 ZINC001577432539 993664156 /nfs/dbraw/zinc/66/41/56/993664156.db2.gz IQIFARUAWXPMKN-UHFFFAOYSA-N 1 0 240.303 2.150 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCCCC)C1 ZINC001264383807 993718895 /nfs/dbraw/zinc/71/88/95/993718895.db2.gz BZKCNGDWQGQVMG-BETUJISGSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCCCCC[NH2+][C@H]1C[C@H](CNC(C)=O)C1 ZINC001264413438 993722117 /nfs/dbraw/zinc/72/21/17/993722117.db2.gz PGOOSUKKKDJUJR-HDJSIYSDSA-N 1 0 240.391 2.461 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000389282630 993743912 /nfs/dbraw/zinc/74/39/12/993743912.db2.gz SPXIKJLNCYQOCW-ZETCQYMHSA-N 1 0 206.211 2.221 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000390613047 993800901 /nfs/dbraw/zinc/80/09/01/993800901.db2.gz FRJALCCTOPMHJC-RFQIPJPRSA-N 1 0 223.360 2.175 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC ZINC001265076922 993811772 /nfs/dbraw/zinc/81/17/72/993811772.db2.gz DJEDPUPCUVAOPB-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+](CC)CCCNC(=O)C1(CC)CC1 ZINC001265132534 993815060 /nfs/dbraw/zinc/81/50/60/993815060.db2.gz JSMYYSHZRVZBIQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(Cl)C[N@@H+](CC)CCCNC(=O)CCC ZINC001265096984 993815937 /nfs/dbraw/zinc/81/59/37/993815937.db2.gz VTXSKZFXVPSRGB-UHFFFAOYSA-N 1 0 246.782 2.367 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@H](O)CC)C[C@H](C1)C2 ZINC000700365899 993832697 /nfs/dbraw/zinc/83/26/97/993832697.db2.gz LBKWIGHZKOUJQL-QNMSZWNNSA-N 1 0 223.360 2.482 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000700729127 993847724 /nfs/dbraw/zinc/84/77/24/993847724.db2.gz IKURTUOUOXPTGS-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001265424632 993854970 /nfs/dbraw/zinc/85/49/70/993854970.db2.gz XBPDKSJMLNRPJG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001265476150 993863764 /nfs/dbraw/zinc/86/37/64/993863764.db2.gz YPOIVHAYRVHNKV-AVGNSLFASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)/C=C(\C)CC)C1 ZINC001265476716 993864292 /nfs/dbraw/zinc/86/42/92/993864292.db2.gz NONHUPSZVSUVFG-NNRCDXQISA-N 1 0 236.359 2.156 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC001265525456 993872373 /nfs/dbraw/zinc/87/23/73/993872373.db2.gz AHMSWYQURAMUKW-TXEJJXNPSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CCCC ZINC001265662843 993891660 /nfs/dbraw/zinc/89/16/60/993891660.db2.gz ZFNNHRIQOORWNS-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@H](OC(C)C)C1 ZINC000701663374 993896912 /nfs/dbraw/zinc/89/69/12/993896912.db2.gz WQRUVHYRRZAHFW-RYUDHWBXSA-N 1 0 210.321 2.178 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000701708428 993905882 /nfs/dbraw/zinc/90/58/82/993905882.db2.gz JUCWAPOQVOWKMP-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)CC(C)(C)C ZINC001265752387 993926450 /nfs/dbraw/zinc/92/64/50/993926450.db2.gz FOGWKKGYEYXRCB-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C=C1CCC1 ZINC001265762963 993931921 /nfs/dbraw/zinc/93/19/21/993931921.db2.gz FHLKFFAEKHNRRM-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CCC ZINC001265761636 993934364 /nfs/dbraw/zinc/93/43/64/993934364.db2.gz YBXQLZMYCHCKBH-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[NH2+]Cc1nn(C)cc1Cl ZINC000393322714 993934685 /nfs/dbraw/zinc/93/46/85/993934685.db2.gz PHGKCLFZVXEXOW-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)C1CC(C)C1 ZINC001265766811 993935488 /nfs/dbraw/zinc/93/54/88/993935488.db2.gz POKGXEYRVDEKLZ-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCC(C)(C)CO ZINC000393424501 993944338 /nfs/dbraw/zinc/94/43/38/993944338.db2.gz OSUZJHRIIYBGGD-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]CC(=C)Cl ZINC001265808972 993949393 /nfs/dbraw/zinc/94/93/93/993949393.db2.gz OTKARJMJFMGQQJ-SNVBAGLBSA-N 1 0 244.766 2.045 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1ccc(C=C)cc1 ZINC001265826914 993951156 /nfs/dbraw/zinc/95/11/56/993951156.db2.gz LPJUELFLZHPGCN-LBPRGKRZSA-N 1 0 244.338 2.224 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)C ZINC001265852617 993959032 /nfs/dbraw/zinc/95/90/32/993959032.db2.gz GLVREWQOEOHKQY-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C1CCCC1 ZINC001265847861 993959380 /nfs/dbraw/zinc/95/93/80/993959380.db2.gz CVLYZQUTTVONBJ-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)(C)CNc1cc[nH+]c(CC#N)c1 ZINC000393627425 993971532 /nfs/dbraw/zinc/97/15/32/993971532.db2.gz GROZVBZNBIEMLN-UHFFFAOYSA-N 1 0 203.289 2.028 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)CCc1ccco1 ZINC000393768376 994003066 /nfs/dbraw/zinc/00/30/66/994003066.db2.gz CUYXURLEYQMJNV-RYUDHWBXSA-N 1 0 223.316 2.391 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC ZINC001265992467 994011864 /nfs/dbraw/zinc/01/18/64/994011864.db2.gz LUOBEKYYFPFQCN-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@H+](CC)CCCNC(=O)[C@@H]1C[C@@H]1C ZINC001266017097 994014781 /nfs/dbraw/zinc/01/47/81/994014781.db2.gz MMJYZUXSJZUMEF-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001266167497 994053281 /nfs/dbraw/zinc/05/32/81/994053281.db2.gz VYYKFMQBKUZYOW-LBPRGKRZSA-N 1 0 240.391 2.482 20 30 BEEDRO CC#CCCCC(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001266169600 994054429 /nfs/dbraw/zinc/05/44/29/994054429.db2.gz CUNMTFZIVMLNSD-CYBMUJFWSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C1CCC(CNC(=O)CCCC[NH2+]C)CC1 ZINC000724447672 994064918 /nfs/dbraw/zinc/06/49/18/994064918.db2.gz YPVMDTJYNAQLFF-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(C)=O ZINC001279531242 994068538 /nfs/dbraw/zinc/06/85/38/994068538.db2.gz ZZYDSEXTXDFEKD-UONOGXRCSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)[C@H](C)CC)CCC1 ZINC001280468860 994114164 /nfs/dbraw/zinc/11/41/64/994114164.db2.gz HFAHZPNALBOKOM-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)CC ZINC001281919497 994177612 /nfs/dbraw/zinc/17/76/12/994177612.db2.gz OEDFPJOELYGCCC-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C/C=C(/C)C=C ZINC001281741875 994181658 /nfs/dbraw/zinc/18/16/58/994181658.db2.gz YPODPRNWCNMKDB-OTAKNEKHSA-N 1 0 236.359 2.179 20 30 BEEDRO C=C(C)C[NH2+]CC1CC(NC(=O)[C@H](C)CC)C1 ZINC001281985140 994184635 /nfs/dbraw/zinc/18/46/35/994184635.db2.gz MDTKBGJCALMYAR-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001282096800 994198696 /nfs/dbraw/zinc/19/86/96/994198696.db2.gz LKDKICRHKGGSPU-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001282084760 994202230 /nfs/dbraw/zinc/20/22/30/994202230.db2.gz SHLMEILWZWBVKJ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCCCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC ZINC001282166711 994208415 /nfs/dbraw/zinc/20/84/15/994208415.db2.gz HKUNWUGVEVXZSE-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC ZINC001282167656 994211833 /nfs/dbraw/zinc/21/18/33/994211833.db2.gz NFYVBYRQJCKNTD-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(CC)CC ZINC001282230532 994212500 /nfs/dbraw/zinc/21/25/00/994212500.db2.gz QMQCCNAPITXECT-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001282220580 994214267 /nfs/dbraw/zinc/21/42/67/994214267.db2.gz SFKZQTWCYYDOFS-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001282220578 994215819 /nfs/dbraw/zinc/21/58/19/994215819.db2.gz SFKZQTWCYYDOFS-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CC1CC1 ZINC001282346556 994222810 /nfs/dbraw/zinc/22/28/10/994222810.db2.gz PPEWJDDBATYWEA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001282448760 994231795 /nfs/dbraw/zinc/23/17/95/994231795.db2.gz CDIGKOUWUNNUBO-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001282448759 994234081 /nfs/dbraw/zinc/23/40/81/994234081.db2.gz CDIGKOUWUNNUBO-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)C1(CC)CC1 ZINC001283231367 994268613 /nfs/dbraw/zinc/26/86/13/994268613.db2.gz FYHMOZXCRFLUDP-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)C ZINC001283268139 994268920 /nfs/dbraw/zinc/26/89/20/994268920.db2.gz IUBNESYKOKGEHA-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)c1cc[nH]c1 ZINC001283179021 994270256 /nfs/dbraw/zinc/27/02/56/994270256.db2.gz VAKVREBLDAXMJO-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCCC[NH2+][C@H](CCNC(C)=O)C(C)C ZINC001283434777 994270921 /nfs/dbraw/zinc/27/09/21/994270921.db2.gz SVOCDRZEOIFXDQ-CYBMUJFWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C(CC)CC ZINC001283569682 994281377 /nfs/dbraw/zinc/28/13/77/994281377.db2.gz HFRAZWKZPJUQRW-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C ZINC001283702888 994294618 /nfs/dbraw/zinc/29/46/18/994294618.db2.gz CSHGAWZPCJTRIG-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)CCC)C(C)(C)C ZINC001284562914 994349235 /nfs/dbraw/zinc/34/92/35/994349235.db2.gz UKTSSWDVIUENQD-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)c1cccc(C)c1 ZINC001290705828 994555079 /nfs/dbraw/zinc/55/50/79/994555079.db2.gz FGHIKEODSWSCEH-UHFFFAOYSA-N 1 0 246.354 2.466 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293503094 994654822 /nfs/dbraw/zinc/65/48/22/994654822.db2.gz VWRNMNJPPNCEOK-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1c(C)cccc1C ZINC001294168212 994689199 /nfs/dbraw/zinc/68/91/99/994689199.db2.gz YMJGHPSHKKNSMD-UHFFFAOYSA-N 1 0 232.327 2.360 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC001335266532 994705002 /nfs/dbraw/zinc/70/50/02/994705002.db2.gz XVMBYNFZZCTRQJ-UPJWGTAASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)CCC ZINC001491624859 994991777 /nfs/dbraw/zinc/99/17/77/994991777.db2.gz OTDHWNFNWGGUNI-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001491867616 995009574 /nfs/dbraw/zinc/00/95/74/995009574.db2.gz DROCMGKQACZLOT-CHWSQXEVSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)C1CC(C)C1 ZINC001492005561 995015929 /nfs/dbraw/zinc/01/59/29/995015929.db2.gz NPFSOGYEPAMHPG-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C ZINC001492115996 995022312 /nfs/dbraw/zinc/02/23/12/995022312.db2.gz NYDKFBPSCKBWMF-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)CCNC(=O)C1CCC1 ZINC001317437332 995234372 /nfs/dbraw/zinc/23/43/72/995234372.db2.gz OYBTYJFOSONIAU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)[C@H](C)CCC ZINC001317443734 995245307 /nfs/dbraw/zinc/24/53/07/995245307.db2.gz SFAMUVIKOWCTSX-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)c(C#N)cn1 ZINC001306948683 995277314 /nfs/dbraw/zinc/27/73/14/995277314.db2.gz YXBYLJKNQSTTSM-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C[NH2+]C1(CNc2cc(F)ccc2C#N)CCC1 ZINC001307123714 995290181 /nfs/dbraw/zinc/29/01/81/995290181.db2.gz PYSLQKZDLXMASX-UHFFFAOYSA-N 1 0 233.290 2.251 20 30 BEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1cc(F)ccc1C#N ZINC001307130571 995293620 /nfs/dbraw/zinc/29/36/20/995293620.db2.gz RVFWEXFAHFUONW-MFKMUULPSA-N 1 0 247.317 2.226 20 30 BEEDRO N#CC1(CCC[N@H+]2CC[C@@H](F)C2)CCOCC1 ZINC001307785169 995462037 /nfs/dbraw/zinc/46/20/37/995462037.db2.gz JHGALNCUNUDPHL-GFCCVEGCSA-N 1 0 240.322 2.131 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCCC12CCOCC2 ZINC001307886728 995491337 /nfs/dbraw/zinc/49/13/37/995491337.db2.gz UGGXZDUYNDRFBC-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)C1CSC1 ZINC001307918595 995498345 /nfs/dbraw/zinc/49/83/45/995498345.db2.gz LOBJYPHYYKQGQN-FRRDWIJNSA-N 1 0 235.396 2.473 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2ncccn2)CC1 ZINC001308091958 995546381 /nfs/dbraw/zinc/54/63/81/995546381.db2.gz YMAJWNGKKQRTCK-UHFFFAOYSA-N 1 0 217.316 2.232 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cncn1C ZINC001308134563 995559054 /nfs/dbraw/zinc/55/90/54/995559054.db2.gz CCAOBRUPLXFCJE-LBPRGKRZSA-N 1 0 219.332 2.351 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCCC(=O)N(C)C ZINC001308138367 995565252 /nfs/dbraw/zinc/56/52/52/995565252.db2.gz XOQMDOUFRUYLNK-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1cnns1 ZINC001308138081 995567637 /nfs/dbraw/zinc/56/76/37/995567637.db2.gz VBBOPQHFIOQFQG-SNVBAGLBSA-N 1 0 223.345 2.469 20 30 BEEDRO Cc1cccnc1[C@@H](C)[NH2+]CCCC#N ZINC001308153270 995573353 /nfs/dbraw/zinc/57/33/53/995573353.db2.gz PZPIUCVLBGDDSG-LLVKDONJSA-N 1 0 203.289 2.344 20 30 BEEDRO Cc1cccnc1[C@H](C)[NH2+]CCCC#N ZINC001308153271 995575667 /nfs/dbraw/zinc/57/56/67/995575667.db2.gz PZPIUCVLBGDDSG-NSHDSACASA-N 1 0 203.289 2.344 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)CC(C)C)CCC1 ZINC001501907435 1170052482 /nfs/dbraw/zinc/05/24/82/1170052482.db2.gz QXNGKVZMIORRQS-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2=CCCC2)C1 ZINC001567695608 1170084452 /nfs/dbraw/zinc/08/44/52/1170084452.db2.gz DKTYPAIZOAVYHZ-CYBMUJFWSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)C ZINC001566929418 1170091605 /nfs/dbraw/zinc/09/16/05/1170091605.db2.gz ZROUULHNNNPEJH-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)NCC1([NH2+]CC)CCCC1 ZINC001568239964 1170099825 /nfs/dbraw/zinc/09/98/25/1170099825.db2.gz ZEEMGPHBFGHNMJ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]C(C)C ZINC001571389710 1170110631 /nfs/dbraw/zinc/11/06/31/1170110631.db2.gz QRDWNXMMVSJKIK-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC001620970154 1170177281 /nfs/dbraw/zinc/17/72/81/1170177281.db2.gz DOIBCQVGRSVETI-UHFFFAOYSA-N 1 0 238.290 2.058 20 30 BEEDRO CN(c1cc(F)ccc1C#N)[C@H]1CCC[N@H+](C)C1 ZINC001611980144 1170447510 /nfs/dbraw/zinc/44/75/10/1170447510.db2.gz UTWXXIDAWQKPFX-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO Cc1nc(N(C)CCCC[NH+](C)C)ccc1C#N ZINC001612845219 1170465159 /nfs/dbraw/zinc/46/51/59/1170465159.db2.gz XNWYFYGYGMZTRM-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO C#CCN(CC#CC)C[C@H]1CCCC[N@@H+]1C(C)C ZINC001615665476 1170530662 /nfs/dbraw/zinc/53/06/62/1170530662.db2.gz PKGZOPAOPJRXHG-MRXNPFEDSA-N 1 0 246.398 2.208 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1(O)CCCCCC1 ZINC001616404000 1170554335 /nfs/dbraw/zinc/55/43/35/1170554335.db2.gz WNQUHNHCLLLDJS-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC001616892755 1170570998 /nfs/dbraw/zinc/57/09/98/1170570998.db2.gz RUQLMSXYTIJPDR-NXEZZACHSA-N 1 0 201.260 2.375 20 30 BEEDRO N#CC1(C[NH2+]CC2CCCCC2)CCOCC1 ZINC001621102258 1170711379 /nfs/dbraw/zinc/71/13/79/1170711379.db2.gz FBVGNSSUBDIYIV-UHFFFAOYSA-N 1 0 236.359 2.477 20 30 BEEDRO C#CC[N@@H+](Cc1cccnc1N)C1CCCCC1 ZINC001621143663 1170726121 /nfs/dbraw/zinc/72/61/21/1170726121.db2.gz KUQXAJSWXDSXLN-UHFFFAOYSA-N 1 0 243.354 2.432 20 30 BEEDRO CC#CCC[NH2+]CC1CCC(OC)CC1 ZINC001621216734 1170743856 /nfs/dbraw/zinc/74/38/56/1170743856.db2.gz SMHRTGNOKJZGPZ-UHFFFAOYSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C/c1cccc(F)c1 ZINC001621324592 1170769976 /nfs/dbraw/zinc/76/99/76/1170769976.db2.gz QSZNAQKDLNHWSE-ZRQQLDRUSA-N 1 0 203.260 2.450 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC001621504158 1170830699 /nfs/dbraw/zinc/83/06/99/1170830699.db2.gz UWUIWNWJAZKHJO-WFASDCNBSA-N 1 0 249.329 2.293 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2C(C)C)C1 ZINC001621521722 1170834056 /nfs/dbraw/zinc/83/40/56/1170834056.db2.gz IMFUTNKVLXRSDN-XHSDSOJGSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001621549443 1170843953 /nfs/dbraw/zinc/84/39/53/1170843953.db2.gz QZGFRWUUVGEFGS-LLVKDONJSA-N 1 0 215.296 2.075 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCCN1C ZINC001621552777 1170849245 /nfs/dbraw/zinc/84/92/45/1170849245.db2.gz TZJDVWSQDZJWFB-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCOCC1 ZINC001621561763 1170853185 /nfs/dbraw/zinc/85/31/85/1170853185.db2.gz CPANGMQTHIOEQW-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](CO)C(C)C)C1 ZINC001621574073 1170857335 /nfs/dbraw/zinc/85/73/35/1170857335.db2.gz CRGVNCYHQWILRK-AVGNSLFASA-N 1 0 211.349 2.338 20 30 BEEDRO C#CC[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000037184831 1170933054 /nfs/dbraw/zinc/93/30/54/1170933054.db2.gz QKKIDSFLWQMFOS-GFCCVEGCSA-N 1 0 217.312 2.239 20 30 BEEDRO CC[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000037186462 1170933723 /nfs/dbraw/zinc/93/37/23/1170933723.db2.gz AOPMDPBXCJCIQL-NSHDSACASA-N 1 0 218.300 2.477 20 30 BEEDRO C=CC[NH2+]C[C@@H](O)COC[C@H](CC)CCCC ZINC000037851931 1170981982 /nfs/dbraw/zinc/98/19/82/1170981982.db2.gz KDXTVXWHMUMPDW-ZIAGYGMSSA-N 1 0 243.391 2.356 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(O)c(C)cc1C ZINC001624699102 1171053906 /nfs/dbraw/zinc/05/39/06/1171053906.db2.gz SXLPAVCQKNBZCK-UHFFFAOYSA-N 1 0 248.326 2.065 20 30 BEEDRO Cc1cc(C#N)ccc1OC1CC[NH+](C)CC1 ZINC000041018753 1171163430 /nfs/dbraw/zinc/16/34/30/1171163430.db2.gz VUXKSKLEUIQSLR-UHFFFAOYSA-N 1 0 230.311 2.340 20 30 BEEDRO CC(C)[N@H+](CCCO)Cc1cccc(C#N)c1 ZINC000042503983 1171234101 /nfs/dbraw/zinc/23/41/01/1171234101.db2.gz ZJVMJMOGWPDGJK-UHFFFAOYSA-N 1 0 232.327 2.151 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCCC[C@@H]1CC ZINC001629570408 1171323216 /nfs/dbraw/zinc/32/32/16/1171323216.db2.gz DTARTWDYIAZPPI-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(C)(CC)CC1 ZINC001631724727 1171471375 /nfs/dbraw/zinc/47/13/75/1171471375.db2.gz NUZQOROQLVIZHK-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000186716809 136207830 /nfs/dbraw/zinc/20/78/30/136207830.db2.gz HNZFYXAHMBBKCE-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000186716824 136207868 /nfs/dbraw/zinc/20/78/68/136207868.db2.gz HNZFYXAHMBBKCE-WCQYABFASA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000186715019 136207927 /nfs/dbraw/zinc/20/79/27/136207927.db2.gz HKZVYVSEVSUOBY-LSDHHAIUSA-N 1 0 231.339 2.071 20 30 BEEDRO CC[C@@]1([NH2+]CCC(C)(C)C#N)CCOC1 ZINC000309055032 349438540 /nfs/dbraw/zinc/43/85/40/349438540.db2.gz TZWWOTRSAUFUOQ-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(C)nc1CC ZINC000161396051 538915555 /nfs/dbraw/zinc/91/55/55/538915555.db2.gz FCLOTDIQSAZGLI-JTQLQIEISA-N 1 0 207.321 2.037 20 30 BEEDRO C=CCN(CC(=O)N1CCCC[C@@H]1C)C1CC1 ZINC000357552025 136210623 /nfs/dbraw/zinc/21/06/23/136210623.db2.gz JNGWPNATQHRMIA-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO CC#CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268523166 398140755 /nfs/dbraw/zinc/14/07/55/398140755.db2.gz GEXYZSQVUSFDEO-MRXNPFEDSA-N 1 0 242.366 2.216 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)cc1OC ZINC000162620125 398145165 /nfs/dbraw/zinc/14/51/65/398145165.db2.gz FALAMTJDLLCYIN-GFCCVEGCSA-N 1 0 233.311 2.205 20 30 BEEDRO C#CCC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272551603 398147187 /nfs/dbraw/zinc/14/71/87/398147187.db2.gz KRCURPPPASJJLR-CQSZACIVSA-N 1 0 229.323 2.411 20 30 BEEDRO CCC(CC)(CO)[NH2+]Cc1cccc(C#N)c1 ZINC000053046932 168330077 /nfs/dbraw/zinc/33/00/77/168330077.db2.gz VNUCCMVEIPVZCU-UHFFFAOYSA-N 1 0 232.327 2.199 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)o1)C[C@@H](C)OC ZINC000291012916 349483790 /nfs/dbraw/zinc/48/37/90/349483790.db2.gz BGNOAKPNIPWBDM-SNVBAGLBSA-N 1 0 222.288 2.008 20 30 BEEDRO C[C@H](O)[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000161860177 349507084 /nfs/dbraw/zinc/50/70/84/349507084.db2.gz ZLEVEHUBFSBEKX-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)CF)ccc1C#N ZINC000308825062 178029342 /nfs/dbraw/zinc/02/93/42/178029342.db2.gz DJZGDJHMXQGZKE-JTQLQIEISA-N 1 0 206.264 2.314 20 30 BEEDRO Cc1cc(C[NH2+][C@@]2(C)CCOC2)ccc1C#N ZINC000336540887 178037577 /nfs/dbraw/zinc/03/75/77/178037577.db2.gz VFKQKEBSVJRIKT-AWEZNQCLSA-N 1 0 230.311 2.135 20 30 BEEDRO Cc1cc(C[NH2+][C@](C)(CO)C(C)C)ccc1C#N ZINC000352895961 178041286 /nfs/dbraw/zinc/04/12/86/178041286.db2.gz WQNMROSCMCEVRZ-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1cc(C)no1 ZINC000308849082 136216780 /nfs/dbraw/zinc/21/67/80/136216780.db2.gz NKPVWJNMORZTJU-JTQLQIEISA-N 1 0 208.305 2.470 20 30 BEEDRO C[C@@H](c1ccccn1)[NH+]1CCC(C#N)CC1 ZINC000177082979 136216816 /nfs/dbraw/zinc/21/68/16/136216816.db2.gz PQPJVVBPQQYMBB-NSHDSACASA-N 1 0 215.300 2.378 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCOCc1ccccc1 ZINC000649349263 398162150 /nfs/dbraw/zinc/16/21/50/398162150.db2.gz WHHFROCIUHQNPE-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO CN(C)C(=[NH2+])NCC(C)(C)Cc1ccccc1 ZINC000178578491 136217546 /nfs/dbraw/zinc/21/75/46/136217546.db2.gz FRYGLMYYPWRJOO-UHFFFAOYSA-N 1 0 233.359 2.132 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000649349127 398162180 /nfs/dbraw/zinc/16/21/80/398162180.db2.gz FGHGZOIKOHHSAI-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000309074389 136217556 /nfs/dbraw/zinc/21/75/56/136217556.db2.gz IUDLNHZTIZPNJX-CHWSQXEVSA-N 1 0 209.333 2.500 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(CC)nc1 ZINC000309061299 136217565 /nfs/dbraw/zinc/21/75/65/136217565.db2.gz WTZYZMJJJCVLNG-UHFFFAOYSA-N 1 0 202.301 2.147 20 30 BEEDRO C[C@H](CNC(=[NH2+])N(C)C)Sc1ccccc1 ZINC000178584510 136217580 /nfs/dbraw/zinc/21/75/80/136217580.db2.gz SLDADMPVFZRXOE-SNVBAGLBSA-N 1 0 237.372 2.044 20 30 BEEDRO CC#CC[N@@H+](C)CCOc1ccccc1OCC ZINC000339752470 398163715 /nfs/dbraw/zinc/16/37/15/398163715.db2.gz ZLHCRUZSHZUXEF-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1csc(C)n1 ZINC000336737454 136218522 /nfs/dbraw/zinc/21/85/22/136218522.db2.gz JKFIUVMKLIOGCK-MWLCHTKSSA-N 1 0 240.372 2.287 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000309140729 136217779 /nfs/dbraw/zinc/21/77/79/136217779.db2.gz SYBLDWBZWZISLW-DGCLKSJQSA-N 1 0 208.349 2.025 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2ccccn2)CC1 ZINC000649395802 398196921 /nfs/dbraw/zinc/19/69/21/398196921.db2.gz RXOARGLPZLSKJY-HNNXBMFYSA-N 1 0 246.354 2.198 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000230352566 398198983 /nfs/dbraw/zinc/19/89/83/398198983.db2.gz GKTSJCVMKTXEEN-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000309522380 136219045 /nfs/dbraw/zinc/21/90/45/136219045.db2.gz BROHQSRUIOOFFG-DGCLKSJQSA-N 1 0 237.730 2.464 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000309520819 136219100 /nfs/dbraw/zinc/21/91/00/136219100.db2.gz UBVPRPSITLSRKT-PWSUYJOCSA-N 1 0 216.284 2.174 20 30 BEEDRO CCC[C@H](CCO)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309620963 136219295 /nfs/dbraw/zinc/21/92/95/136219295.db2.gz DHIOUZIYEGWHMM-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@H](CCO)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309620961 136219409 /nfs/dbraw/zinc/21/94/09/136219409.db2.gz DHIOUZIYEGWHMM-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1F ZINC000186714583 349517351 /nfs/dbraw/zinc/51/73/51/349517351.db2.gz QBSIXEYSEVJTFZ-MNOVXSKESA-N 1 0 223.291 2.413 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000576266215 365543297 /nfs/dbraw/zinc/54/32/97/365543297.db2.gz QPBHVOHTTQLTAC-PHIMTYICSA-N 1 0 236.340 2.229 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1OC ZINC000576279503 365548084 /nfs/dbraw/zinc/54/80/84/365548084.db2.gz ZHWZHYXHXFQOKF-YNEHKIRRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000336751030 136220072 /nfs/dbraw/zinc/22/00/72/136220072.db2.gz GFWMSKSAYBJSSQ-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000649406910 398206758 /nfs/dbraw/zinc/20/67/58/398206758.db2.gz DQRRHWABTRIDDJ-OLZOCXBDSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000649406909 398206912 /nfs/dbraw/zinc/20/69/12/398206912.db2.gz DQRRHWABTRIDDJ-CHWSQXEVSA-N 1 0 223.360 2.436 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCCO1 ZINC000336753064 136220204 /nfs/dbraw/zinc/22/02/04/136220204.db2.gz WEQPYOUGQWBELX-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@](C)(O)C1CC1 ZINC000336736662 136218749 /nfs/dbraw/zinc/21/87/49/136218749.db2.gz PNVIBAUPVLYLCA-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(C(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415944928 398209034 /nfs/dbraw/zinc/20/90/34/398209034.db2.gz BIZNAWZCAHVZJT-UHFFFAOYSA-N 1 0 245.326 2.328 20 30 BEEDRO Cc1cc(NCC[NH+]2CCCCC2)cc(C#N)n1 ZINC000308278325 178161818 /nfs/dbraw/zinc/16/18/18/178161818.db2.gz STLZQQFMIVGRRF-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C[N@H+](CCCSCC#N)Cc1ccco1 ZINC000074980742 398212468 /nfs/dbraw/zinc/21/24/68/398212468.db2.gz FTMWQHVARZFZLT-UHFFFAOYSA-N 1 0 224.329 2.358 20 30 BEEDRO N#CCCC1CC[NH+](Cc2ccno2)CC1 ZINC000576397195 365585558 /nfs/dbraw/zinc/58/55/58/365585558.db2.gz YEOOCQYAPUEVKZ-UHFFFAOYSA-N 1 0 219.288 2.190 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000649422665 398221949 /nfs/dbraw/zinc/22/19/49/398221949.db2.gz XUWBQDMMECQZPD-RWMBFGLXSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CC(C)C ZINC000340678890 136222443 /nfs/dbraw/zinc/22/24/43/136222443.db2.gz ZAYUMHXQWHWRAD-ZDUSSCGKSA-N 1 0 238.375 2.163 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000650029532 398223381 /nfs/dbraw/zinc/22/33/81/398223381.db2.gz UKFRTFXNXHBTMS-CABCVRRESA-N 1 0 246.354 2.186 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)o1)[C@@H]1CC1(C)C ZINC000335217363 343987455 /nfs/dbraw/zinc/98/74/55/343987455.db2.gz GTAUCSJUUSAYAR-LLVKDONJSA-N 1 0 204.273 2.382 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000421357842 192332486 /nfs/dbraw/zinc/33/24/86/192332486.db2.gz RDUUEAGZHVIJMM-AWEZNQCLSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000421357721 192332528 /nfs/dbraw/zinc/33/25/28/192332528.db2.gz QDASJGAGRFWWPE-NSHDSACASA-N 1 0 209.333 2.236 20 30 BEEDRO CC[C@@H](C)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000421366280 192334278 /nfs/dbraw/zinc/33/42/78/192334278.db2.gz AICNASOULYEBOX-LLVKDONJSA-N 1 0 242.326 2.342 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCCC2(O)CCC2)c1 ZINC000421369803 192334604 /nfs/dbraw/zinc/33/46/04/192334604.db2.gz HTOYKXNFQXZTPQ-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO CC[C@H](C)[C@H](CN(CC)CCC#N)OC ZINC000602439010 349525303 /nfs/dbraw/zinc/52/53/03/349525303.db2.gz VLAXBESJZKUYJK-RYUDHWBXSA-N 1 0 212.337 2.283 20 30 BEEDRO C=C(C)CN(CC)C(=O)N[C@H](C[NH3+])CCCC ZINC000418446642 192036729 /nfs/dbraw/zinc/03/67/29/192036729.db2.gz OKNZYTXPKYGYRF-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000066854464 361817515 /nfs/dbraw/zinc/81/75/15/361817515.db2.gz VNWVYBREMHXRCW-ZDUSSCGKSA-N 1 0 246.354 2.024 20 30 BEEDRO C[NH2+]Cc1cccc(NC(=O)C2(C#N)CCC2)c1 ZINC000602424267 349531750 /nfs/dbraw/zinc/53/17/50/349531750.db2.gz IIOZNYSKAYTZAB-UHFFFAOYSA-N 1 0 243.310 2.038 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C#N)n1 ZINC000602430237 349535299 /nfs/dbraw/zinc/53/52/99/349535299.db2.gz XKGGDGPBESAVAI-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO CC#CCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000184983987 136229366 /nfs/dbraw/zinc/22/93/66/136229366.db2.gz FBQCCAWBAZOMIB-UHFFFAOYSA-N 1 0 249.383 2.069 20 30 BEEDRO COC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602431487 349535919 /nfs/dbraw/zinc/53/59/19/349535919.db2.gz RTSPKPRMCDNTFC-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1csc([C@@H](C)C[NH2+]CCC#N)n1 ZINC000576698058 365660264 /nfs/dbraw/zinc/66/02/64/365660264.db2.gz PVDCXQTWDHABRE-QMMMGPOBSA-N 1 0 209.318 2.058 20 30 BEEDRO CCOC[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343521497 136231051 /nfs/dbraw/zinc/23/10/51/136231051.db2.gz VARVOFFAQCHHMH-LBPRGKRZSA-N 1 0 232.327 2.115 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)C[C@H]1CCOC1 ZINC000602446031 349546102 /nfs/dbraw/zinc/54/61/02/349546102.db2.gz ZGDOPNUMMNNOKG-QWHCGFSZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC1CCSCC1 ZINC000602448473 349549556 /nfs/dbraw/zinc/54/95/56/349549556.db2.gz UVTNEBHUGUGMMG-SNVBAGLBSA-N 1 0 212.362 2.221 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC1CCSCC1 ZINC000602448472 349549910 /nfs/dbraw/zinc/54/99/10/349549910.db2.gz UVTNEBHUGUGMMG-JTQLQIEISA-N 1 0 212.362 2.221 20 30 BEEDRO CCC[C@@H](C[N@H+](CCC#N)CC1CC1)OC ZINC000602462297 349556427 /nfs/dbraw/zinc/55/64/27/349556427.db2.gz LXWGAHGLIAECMZ-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000602461688 349556707 /nfs/dbraw/zinc/55/67/07/349556707.db2.gz ZPLAFEHSLAZFJC-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ccc(C#N)c(NCCC[NH+]2CCCC2)n1 ZINC000062075795 178364691 /nfs/dbraw/zinc/36/46/91/178364691.db2.gz BNRQTMGOLXDOFY-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000043395792 178365466 /nfs/dbraw/zinc/36/54/66/178365466.db2.gz LPCWRIIGSCCHPQ-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000050164303 178366257 /nfs/dbraw/zinc/36/62/57/178366257.db2.gz ORJAYUIWUQCWLT-YPMHNXCESA-N 1 0 244.342 2.062 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccco1 ZINC000602501619 349561617 /nfs/dbraw/zinc/56/16/17/349561617.db2.gz DLROCWLWIBZDSC-GFCCVEGCSA-N 1 0 248.326 2.468 20 30 BEEDRO C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000602475955 349563157 /nfs/dbraw/zinc/56/31/57/349563157.db2.gz UWKZCFQOHJDORC-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](C#N)CN(Cc1cccc(C#N)n1)C1CC1 ZINC000602488058 349569230 /nfs/dbraw/zinc/56/92/30/349569230.db2.gz ZFXSEUFVTUZSQD-LLVKDONJSA-N 1 0 240.310 2.077 20 30 BEEDRO CC(C)OCCC[NH2+]C1CCC(C#N)CC1 ZINC000602500253 349560537 /nfs/dbraw/zinc/56/05/37/349560537.db2.gz XRTSNNBWJSLAFU-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCCOCC[NH2+]C[C@H](C)CCC#N ZINC000602524591 349576716 /nfs/dbraw/zinc/57/67/16/349576716.db2.gz MWUSOTZQHRBWKF-GFCCVEGCSA-N 1 0 212.337 2.333 20 30 BEEDRO CCCCOCC[NH2+]C[C@@H](C)CCC#N ZINC000602524592 349576760 /nfs/dbraw/zinc/57/67/60/349576760.db2.gz MWUSOTZQHRBWKF-LBPRGKRZSA-N 1 0 212.337 2.333 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(O)c1 ZINC000602528160 349578607 /nfs/dbraw/zinc/57/86/07/349578607.db2.gz POVUJSVZNYZHQU-LLVKDONJSA-N 1 0 218.300 2.422 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000602547049 349590473 /nfs/dbraw/zinc/59/04/73/349590473.db2.gz OYWYDFWSJSCKLE-UKRRQHHQSA-N 1 0 246.354 2.119 20 30 BEEDRO COCC[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602529358 349579162 /nfs/dbraw/zinc/57/91/62/349579162.db2.gz URLTUJUHVDMWAH-UNXYVOJBSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@H]1C[NH2+]CCN1Cc1cccc(C#N)c1 ZINC000517376402 259314910 /nfs/dbraw/zinc/31/49/10/259314910.db2.gz KFGNFQAYVFPUAE-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H](C)CCC#N ZINC000602547101 349590494 /nfs/dbraw/zinc/59/04/94/349590494.db2.gz ZKJALYSSOVVQAC-NSHDSACASA-N 1 0 212.362 2.435 20 30 BEEDRO CCCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602503192 349580359 /nfs/dbraw/zinc/58/03/59/349580359.db2.gz OGKMWMIZLOYXFQ-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)C1CC1 ZINC000602504685 349581269 /nfs/dbraw/zinc/58/12/69/349581269.db2.gz SUVFLHBZOXQFBG-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)C[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602505200 349582116 /nfs/dbraw/zinc/58/21/16/349582116.db2.gz UHSNZZONANNPES-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000602509854 349584501 /nfs/dbraw/zinc/58/45/01/349584501.db2.gz GVFSNJMQPZBLHB-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CN1CCCCC1 ZINC000602508632 349584517 /nfs/dbraw/zinc/58/45/17/349584517.db2.gz OJXXXLYOGUKCBN-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+]C[C@H](C)CCC#N ZINC000602509981 349584551 /nfs/dbraw/zinc/58/45/51/349584551.db2.gz IZMYXUCHZBPERE-LLVKDONJSA-N 1 0 234.347 2.180 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000602547048 349590205 /nfs/dbraw/zinc/59/02/05/349590205.db2.gz OYWYDFWSJSCKLE-HIFRSBDPSA-N 1 0 246.354 2.119 20 30 BEEDRO CCOC1CC(C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000602510498 349584880 /nfs/dbraw/zinc/58/48/80/349584880.db2.gz WZCBKSFCLCJEPJ-UHFFFAOYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CCCO1 ZINC000602512339 349586129 /nfs/dbraw/zinc/58/61/29/349586129.db2.gz TVZNDVFXXFDYTJ-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[C@H]1C ZINC000602513852 349586243 /nfs/dbraw/zinc/58/62/43/349586243.db2.gz FJYVCFODCBXZRL-JHJVBQTASA-N 1 0 236.359 2.331 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCN3CCCC[C@@H]23)CC1 ZINC000602514572 349586781 /nfs/dbraw/zinc/58/67/81/349586781.db2.gz NXLLOALMNJPUBU-CVSAEHQPSA-N 1 0 247.386 2.285 20 30 BEEDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602545049 349588824 /nfs/dbraw/zinc/58/88/24/349588824.db2.gz LWHRZOOLRKREPK-RYSNWHEDSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602545046 349588832 /nfs/dbraw/zinc/58/88/32/349588832.db2.gz LWHRZOOLRKREPK-ABXWRUBCSA-N 1 0 238.375 2.455 20 30 BEEDRO CCOC1CC([NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000378800543 346837627 /nfs/dbraw/zinc/83/76/27/346837627.db2.gz TXLQFQICDXFRFZ-ZSVAQUKISA-N 1 0 222.332 2.226 20 30 BEEDRO CCN1CCCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602546329 349589611 /nfs/dbraw/zinc/58/96/11/349589611.db2.gz KGLRLOAICZGCPC-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000649468472 398269102 /nfs/dbraw/zinc/26/91/02/398269102.db2.gz CQCHLXZFYUZTHC-CHWSQXEVSA-N 1 0 211.349 2.483 20 30 BEEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)CC2)[C@H]2CCO[C@@H]21 ZINC000602557863 349598420 /nfs/dbraw/zinc/59/84/20/349598420.db2.gz JPFBOKIQESISKF-YAWVXEGQSA-N 1 0 248.370 2.472 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CCN1C ZINC000602558795 349598621 /nfs/dbraw/zinc/59/86/21/349598621.db2.gz FGUSNSVQIBYNQN-ABXWRUBCSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000602558982 349598831 /nfs/dbraw/zinc/59/88/31/349598831.db2.gz ACWWKHPIPNZDNN-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CCN1C ZINC000602558800 349598835 /nfs/dbraw/zinc/59/88/35/349598835.db2.gz FGUSNSVQIBYNQN-RYSNWHEDSA-N 1 0 235.375 2.141 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@@H](C)CCC#N ZINC000602558945 349599088 /nfs/dbraw/zinc/59/90/88/349599088.db2.gz QMVIZANZTKIMKZ-YNEHKIRRSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CCN1C ZINC000602558798 349599339 /nfs/dbraw/zinc/59/93/39/349599339.db2.gz FGUSNSVQIBYNQN-GFJIZPEISA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)CC(C)(C)C ZINC000602560609 349599799 /nfs/dbraw/zinc/59/97/99/349599799.db2.gz YXMIHMXGTKXWBI-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO CO[C@H](C[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602560006 349599936 /nfs/dbraw/zinc/59/99/36/349599936.db2.gz HBZWHUZJDBXLED-VXGBXAGGSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCC(=O)OC(C)(C)C ZINC000602560319 349599960 /nfs/dbraw/zinc/59/99/60/349599960.db2.gz RWARQSNFOHVHGB-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO C=CC1CC[NH+](Cc2cn(C)nc2CC)CC1 ZINC000180207568 538957389 /nfs/dbraw/zinc/95/73/89/538957389.db2.gz XJHMFIQOGISNKU-UHFFFAOYSA-N 1 0 233.359 2.381 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000602534289 349602026 /nfs/dbraw/zinc/60/20/26/349602026.db2.gz RWMVYBXYWAOVDI-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO COCCCCC[NH2+]C1CCC(C#N)CC1 ZINC000602534423 349602102 /nfs/dbraw/zinc/60/21/02/349602102.db2.gz STWSQHCCIRALOJ-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602549650 349590960 /nfs/dbraw/zinc/59/09/60/349590960.db2.gz JFLMZRUBCVIYAO-QWRGUYRKSA-N 1 0 234.347 2.319 20 30 BEEDRO CCC(CC)[C@@H](O)C[NH2+]C[C@H](C)CCC#N ZINC000602552236 349593791 /nfs/dbraw/zinc/59/37/91/349593791.db2.gz HNEYCZNLMZBMSE-YPMHNXCESA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000602554304 349596085 /nfs/dbraw/zinc/59/60/85/349596085.db2.gz FVZQFKZEWIWEHR-LPWJVIDDSA-N 1 0 236.359 2.329 20 30 BEEDRO CCC[C@H](CCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602557584 349597613 /nfs/dbraw/zinc/59/76/13/349597613.db2.gz LHXLQQXMVVIELC-ROKHWSDSSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CCCO1 ZINC000602578310 349606678 /nfs/dbraw/zinc/60/66/78/349606678.db2.gz CTODQDUXVRWNSQ-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@]1(C[NH2+]C2CCC(C#N)CC2)CCCO1 ZINC000602577403 349606827 /nfs/dbraw/zinc/60/68/27/349606827.db2.gz SPJYXSYEWHVHKL-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC(CC)(CO)C[NH2+]C[C@@H](C)CCC#N ZINC000602577122 349606883 /nfs/dbraw/zinc/60/68/83/349606883.db2.gz SODJKMJHGRARDJ-LBPRGKRZSA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000602540325 349605581 /nfs/dbraw/zinc/60/55/81/349605581.db2.gz LDPABRHBWYZAJA-ZFWWWQNUSA-N 1 0 246.354 2.119 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000602587094 349612187 /nfs/dbraw/zinc/61/21/87/349612187.db2.gz ORBLHUPIAYASDU-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1ncc(CN2CCC(C)(C#N)CC2)o1 ZINC000600149798 342691216 /nfs/dbraw/zinc/69/12/16/342691216.db2.gz ZHZDAVXAAOXQFD-UHFFFAOYSA-N 1 0 219.288 2.109 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000600152539 342691968 /nfs/dbraw/zinc/69/19/68/342691968.db2.gz CRLATDBLBUMXSK-UHFFFAOYSA-N 1 0 231.299 2.335 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000602587097 349612341 /nfs/dbraw/zinc/61/23/41/349612341.db2.gz ORBLHUPIAYASDU-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1nc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000600163744 342693561 /nfs/dbraw/zinc/69/35/61/342693561.db2.gz AWQULWDZUDKMAJ-WDEREUQCSA-N 1 0 219.288 2.073 20 30 BEEDRO C[N@@H+]1CC[C@@H](NCC2(C#N)CCC2)CC1(C)C ZINC000600165250 342693816 /nfs/dbraw/zinc/69/38/16/342693816.db2.gz PEKFSVIRTNJSAC-GFCCVEGCSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC000600167771 342694741 /nfs/dbraw/zinc/69/47/41/342694741.db2.gz XGLXDPSWURKBQE-KOLCDFICSA-N 1 0 231.299 2.334 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000602586083 349612729 /nfs/dbraw/zinc/61/27/29/349612729.db2.gz YNDUWTZVWHJTHL-SDDRHHMPSA-N 1 0 210.321 2.035 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2CO)C1 ZINC000613255109 361854843 /nfs/dbraw/zinc/85/48/43/361854843.db2.gz LGGQNNADFKBRJD-IUODEOHRSA-N 1 0 244.338 2.351 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC000613255497 361857728 /nfs/dbraw/zinc/85/77/28/361857728.db2.gz MQDWVQOPEBKUHC-MNOVXSKESA-N 1 0 233.290 2.393 20 30 BEEDRO N#Cc1cccc(CC[NH2+]CC2(F)CC2)c1 ZINC000309605692 342745345 /nfs/dbraw/zinc/74/53/45/342745345.db2.gz XULKHWGTUMXFOL-UHFFFAOYSA-N 1 0 218.275 2.192 20 30 BEEDRO C[C@H]1C[C@H](NCc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492698 361864793 /nfs/dbraw/zinc/86/47/93/361864793.db2.gz CPIAKABGGVTTSI-CMPLNLGQSA-N 1 0 249.383 2.192 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cn(C)nc1CC ZINC000183476414 538966905 /nfs/dbraw/zinc/96/69/05/538966905.db2.gz LZKZCDKRSQSUNM-UHFFFAOYSA-N 1 0 221.348 2.381 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCNc1ccccn1 ZINC000602593051 349615609 /nfs/dbraw/zinc/61/56/09/349615609.db2.gz GZNNOSALQITHGU-LBPRGKRZSA-N 1 0 232.331 2.023 20 30 BEEDRO CC[N@@H+]1CCCN(CC2(CC#N)CC2)[C@H](C)C1 ZINC000320378117 342733332 /nfs/dbraw/zinc/73/33/32/342733332.db2.gz ROFGHAUNGUGANS-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCN(CC3CC3)C2)CC1 ZINC000602564031 349616393 /nfs/dbraw/zinc/61/63/93/349616393.db2.gz KOWFAEIMSJZZSU-PESDSKBTSA-N 1 0 247.386 2.143 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC000613254404 361859466 /nfs/dbraw/zinc/85/94/66/361859466.db2.gz JBUXVLPICHJWBA-ILXRZTDVSA-N 1 0 247.386 2.143 20 30 BEEDRO Cc1ccnc(N[C@H]2CC[N@@H+](C(C)C)C2)c1C#N ZINC000273278182 398281982 /nfs/dbraw/zinc/28/19/82/398281982.db2.gz CWJNMGLGRYPDIR-LBPRGKRZSA-N 1 0 244.342 2.156 20 30 BEEDRO N#CCCC1CC[NH+](CC2CCOCC2)CC1 ZINC000259953890 349617515 /nfs/dbraw/zinc/61/75/15/349617515.db2.gz IWYCYLMVGXRMQO-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000602565623 349617827 /nfs/dbraw/zinc/61/78/27/349617827.db2.gz QNINPTMXVHWRSU-JSGCOSHPSA-N 1 0 235.375 2.000 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000602571394 349621467 /nfs/dbraw/zinc/62/14/67/349621467.db2.gz LYONBDBEZULOJF-KGPNIALWSA-N 1 0 244.342 2.459 20 30 BEEDRO CC1CCC([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000225246499 398284967 /nfs/dbraw/zinc/28/49/67/398284967.db2.gz DZIPNIFICFXULF-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@@]1([NH2+]Cc2ccc(C#N)s2)CCOC1 ZINC000309682989 342788633 /nfs/dbraw/zinc/78/86/33/342788633.db2.gz GSCAKNIDFZMFJB-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO N#Cc1ccc(OCCC2CC[NH2+]CC2)c(F)c1 ZINC000232343188 342809259 /nfs/dbraw/zinc/80/92/59/342809259.db2.gz JDTONBGPJTZEHA-UHFFFAOYSA-N 1 0 248.301 2.466 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)CC(C)(C)C ZINC000602575220 349623762 /nfs/dbraw/zinc/62/37/62/349623762.db2.gz PCZWCQBUXXYTBD-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@@]1([NH2+]CC#Cc2ccccc2)CCOC1 ZINC000378845742 538974382 /nfs/dbraw/zinc/97/43/82/538974382.db2.gz RWVIUOZKNHQNGU-OAHLLOKOSA-N 1 0 229.323 2.197 20 30 BEEDRO CS[C@@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602573259 349623127 /nfs/dbraw/zinc/62/31/27/349623127.db2.gz ZVRPOUJDRIWEHY-UWVGGRQHSA-N 1 0 200.351 2.267 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)C(F)(F)F ZINC000359661674 398292951 /nfs/dbraw/zinc/29/29/51/398292951.db2.gz HHYVXGPUMOUXMP-QMMMGPOBSA-N 1 0 245.248 2.185 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@H](CO)C2CC2)CC1 ZINC000449334323 398293797 /nfs/dbraw/zinc/29/37/97/398293797.db2.gz IWGKNPBTLZJNSX-IYXRBSQSSA-N 1 0 236.359 2.067 20 30 BEEDRO CC(C)C[C@H](CNc1ccnc(C#N)c1)[NH+](C)C ZINC000299698891 398291124 /nfs/dbraw/zinc/29/11/24/398291124.db2.gz WYCIEMXPRSPYLJ-CQSZACIVSA-N 1 0 246.358 2.341 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN(C)C1 ZINC000379974312 538983351 /nfs/dbraw/zinc/98/33/51/538983351.db2.gz CSKBHAAFNMUIFU-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1nc(C)sc1C ZINC000381468422 539001353 /nfs/dbraw/zinc/00/13/53/539001353.db2.gz NGWFOIPJTLJZOM-GZMMTYOYSA-N 1 0 240.372 2.348 20 30 BEEDRO CO[C@H](C)C[N@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000361558192 398294017 /nfs/dbraw/zinc/29/40/17/398294017.db2.gz VILSDGSIFJXFBU-GFCCVEGCSA-N 1 0 249.358 2.142 20 30 BEEDRO N#CCCC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000602604962 349627305 /nfs/dbraw/zinc/62/73/05/349627305.db2.gz SIIJZORQMKNKKN-CQSZACIVSA-N 1 0 243.354 2.406 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000381396149 538999634 /nfs/dbraw/zinc/99/96/34/538999634.db2.gz OWNLYEMEPKXETR-VXGBXAGGSA-N 1 0 237.368 2.481 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1nccs1 ZINC000390140788 539019813 /nfs/dbraw/zinc/01/98/13/539019813.db2.gz OPKDUELETIHJQS-PWSUYJOCSA-N 1 0 238.356 2.214 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCCOC1 ZINC000602605842 349628048 /nfs/dbraw/zinc/62/80/48/349628048.db2.gz SWMISMZQBPJYII-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000602606122 349628265 /nfs/dbraw/zinc/62/82/65/349628265.db2.gz AIBLGMVNJDBKRR-KWCYVHTRSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602607275 349630037 /nfs/dbraw/zinc/63/00/37/349630037.db2.gz IJFMDHCQOVKLRL-CYDGBPFRSA-N 1 0 234.343 2.083 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602607608 349631016 /nfs/dbraw/zinc/63/10/16/349631016.db2.gz ZHZRGVJNLKJFCL-UHFFFAOYSA-N 1 0 236.315 2.118 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229915138 342853985 /nfs/dbraw/zinc/85/39/85/342853985.db2.gz KOZHBWJJJCWFEL-SWLSCSKDSA-N 1 0 244.338 2.069 20 30 BEEDRO CN(CC[NH+]1CCCC1)Cc1ccccc1C#N ZINC000063051920 398302863 /nfs/dbraw/zinc/30/28/63/398302863.db2.gz DCKRFIKJNZFKLK-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CCC1(CO)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000351333913 136244248 /nfs/dbraw/zinc/24/42/48/136244248.db2.gz VVUISXQFZFKWPE-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H]1[C@@H](NCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000309755624 342866461 /nfs/dbraw/zinc/86/64/61/342866461.db2.gz WXLIUWYHIDLLPF-HIFRSBDPSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@H]1[C@H](NCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000309755616 342866468 /nfs/dbraw/zinc/86/64/68/342866468.db2.gz WXLIUWYHIDLLPF-DZGCQCFKSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C#N)cc1F ZINC000417403890 398307143 /nfs/dbraw/zinc/30/71/43/398307143.db2.gz ODCRFZHAWDZJEX-NURSFMCSSA-N 1 0 248.301 2.261 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000602608838 349632475 /nfs/dbraw/zinc/63/24/75/349632475.db2.gz XHBPSMROQHNRQO-AAEUAGOBSA-N 1 0 229.327 2.078 20 30 BEEDRO C=C(CC)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000352562994 398321428 /nfs/dbraw/zinc/32/14/28/398321428.db2.gz OLSISFRPKMCQRT-UHFFFAOYSA-N 1 0 231.343 2.475 20 30 BEEDRO C[C@H](O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000228025731 398321718 /nfs/dbraw/zinc/32/17/18/398321718.db2.gz BOTQPYZMYHSTCW-RYUDHWBXSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000602610292 349633503 /nfs/dbraw/zinc/63/35/03/349633503.db2.gz SJACDZKNDRHRED-WOPDTQHZSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000602612731 349636456 /nfs/dbraw/zinc/63/64/56/349636456.db2.gz PZYJIUNGVWHDSU-YIZRAAEISA-N 1 0 202.248 2.312 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000602612140 349635776 /nfs/dbraw/zinc/63/57/76/349635776.db2.gz GOIADIRARROUNV-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000104161325 398323871 /nfs/dbraw/zinc/32/38/71/398323871.db2.gz KHPXRFIPRQGWJY-ZDUSSCGKSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)c(C)[nH]1)C1CC1 ZINC000602615019 349638024 /nfs/dbraw/zinc/63/80/24/349638024.db2.gz OYPQVRPYHGHWTO-UHFFFAOYSA-N 1 0 248.326 2.260 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000351600698 136247748 /nfs/dbraw/zinc/24/77/48/136247748.db2.gz DQNCUZJXBOZLAN-MFBWXBCUSA-N 1 0 235.302 2.366 20 30 BEEDRO CC[C@]1(CO)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602622683 349641211 /nfs/dbraw/zinc/64/12/11/349641211.db2.gz CNGIYDXYEMIQLL-KBPBESRZSA-N 1 0 238.375 2.411 20 30 BEEDRO N#CCC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000260107426 349647612 /nfs/dbraw/zinc/64/76/12/349647612.db2.gz QIHGHQDFSWYILH-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602632650 349648988 /nfs/dbraw/zinc/64/89/88/349648988.db2.gz YKMZEWAYUYXPSU-JYBOHDQNSA-N 1 0 210.321 2.082 20 30 BEEDRO CC[C@]1(C)C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602624470 349643035 /nfs/dbraw/zinc/64/30/35/349643035.db2.gz BNEPLMVKRKJKJB-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCSCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602649938 349659455 /nfs/dbraw/zinc/65/94/55/349659455.db2.gz BTAURBNCAXMUHM-UHFFFAOYSA-N 1 0 235.356 2.186 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC(CC)(CC)C1 ZINC000678050371 488187853 /nfs/dbraw/zinc/18/78/53/488187853.db2.gz YYCCOTPAGCWSPC-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCC(C)(C)C#N)C1 ZINC000351628579 136249334 /nfs/dbraw/zinc/24/93/34/136249334.db2.gz KQUHOYMLPFIZSF-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO COCCC1([NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602638584 349652251 /nfs/dbraw/zinc/65/22/51/349652251.db2.gz QFVISJWTNCUUAP-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000602654295 349661012 /nfs/dbraw/zinc/66/10/12/349661012.db2.gz KJWZDTXAXUPNTM-WDEREUQCSA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC1(F)F ZINC000602643243 349655130 /nfs/dbraw/zinc/65/51/30/349655130.db2.gz PAWQAHRLDGUKGP-DTWKUNHWSA-N 1 0 214.259 2.314 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(C#N)n1 ZINC000602646185 349657934 /nfs/dbraw/zinc/65/79/34/349657934.db2.gz ABNNAEXTDNMEAA-LLVKDONJSA-N 1 0 215.300 2.398 20 30 BEEDRO CCC[C@H](C[NH2+]C[C@@H](C)CCC#N)OC ZINC000602675191 349668512 /nfs/dbraw/zinc/66/85/12/349668512.db2.gz SPYVTAVYAFPXQS-NWDGAFQWSA-N 1 0 212.337 2.331 20 30 BEEDRO CCOCC(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602676146 349669179 /nfs/dbraw/zinc/66/91/79/349669179.db2.gz SJALCBKDJWOSCX-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)c1nnc(C[NH2+]C2CCC(C#N)CC2)[nH]1 ZINC000602675941 349669215 /nfs/dbraw/zinc/66/92/15/349669215.db2.gz XISQDEMGNAAZGG-UHFFFAOYSA-N 1 0 247.346 2.100 20 30 BEEDRO C[N@H+](CCC[C@H]1CCO1)CC(C)(C)C#N ZINC000602676143 349669266 /nfs/dbraw/zinc/66/92/66/349669266.db2.gz SGWPIKZBWYCHBS-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@](C)(C[NH2+]C1CCC(C#N)CC1)OC ZINC000602676510 349669370 /nfs/dbraw/zinc/66/93/70/349669370.db2.gz RHFYHFXVMYPWCR-BPCQOVAHSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]1CCC[C@@]1(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602677485 349670033 /nfs/dbraw/zinc/67/00/33/349670033.db2.gz VBPVCVILLMKADG-GFJIZPEISA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)CCCO1 ZINC000602656153 349661794 /nfs/dbraw/zinc/66/17/94/349661794.db2.gz MYMUIENQCSDZDT-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@@H]1C ZINC000602656451 349661945 /nfs/dbraw/zinc/66/19/45/349661945.db2.gz UQFXAJDEDOIBQB-XQQFMLRXSA-N 1 0 236.359 2.473 20 30 BEEDRO COc1ccncc1C[NH2+]C[C@H](C)CCC#N ZINC000602671479 349665894 /nfs/dbraw/zinc/66/58/94/349665894.db2.gz ULYYQLKOHWTRLD-LLVKDONJSA-N 1 0 233.315 2.120 20 30 BEEDRO CCC[C@H](C[NH2+]C1CCC(C#N)CC1)OC ZINC000602672713 349666574 /nfs/dbraw/zinc/66/65/74/349666574.db2.gz GAUFHGKIJJIBCH-WXRRBKDZSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCN(CCC#N)C[C@H](CCC)OC ZINC000602672949 349666693 /nfs/dbraw/zinc/66/66/93/349666693.db2.gz SSDBULSPZRUFMG-LBPRGKRZSA-N 1 0 210.321 2.203 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000602673068 349666806 /nfs/dbraw/zinc/66/68/06/349666806.db2.gz BWYBSMYRTTUVNX-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](Cc1cnccn1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000602678095 349671054 /nfs/dbraw/zinc/67/10/54/349671054.db2.gz BZPNFMLQAFFJEH-AVGNSLFASA-N 1 0 244.342 2.080 20 30 BEEDRO Cc1cnc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000602678508 349671082 /nfs/dbraw/zinc/67/10/82/349671082.db2.gz DJRBPXOIHWEWJH-QWRGUYRKSA-N 1 0 219.288 2.155 20 30 BEEDRO CC[N@@H+](C[C@@H](C)OC)C[C@@H](C)CCC#N ZINC000602673810 349667534 /nfs/dbraw/zinc/66/75/34/349667534.db2.gz CRVPJWVPDLVRBN-NWDGAFQWSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](CCC#N)CNc1cc2c(c[nH+]1)CCC2 ZINC000602674042 349667618 /nfs/dbraw/zinc/66/76/18/349667618.db2.gz BWAQQCHPTRAPAZ-LLVKDONJSA-N 1 0 229.327 2.344 20 30 BEEDRO Cc1ncc(C[NH2+]C2CCC(C#N)CC2)o1 ZINC000602689851 349674465 /nfs/dbraw/zinc/67/44/65/349674465.db2.gz FNXORNJPCVTMEA-UHFFFAOYSA-N 1 0 219.288 2.155 20 30 BEEDRO CC[C@H]1CN(CC)CC[N@@H+]1C[C@@H](C)CCC#N ZINC000602681814 349674473 /nfs/dbraw/zinc/67/44/73/349674473.db2.gz LVCMYQDMQKVSNR-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO CO[C@H]([C@@H](C)[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602683375 349675511 /nfs/dbraw/zinc/67/55/11/349675511.db2.gz VKOGQPCXJPMYFI-XXIIAIFYSA-N 1 0 236.359 2.472 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602684631 349676264 /nfs/dbraw/zinc/67/62/64/349676264.db2.gz IDJZVJSAFRUJEE-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000602688808 349679225 /nfs/dbraw/zinc/67/92/25/349679225.db2.gz DLKJPVPCSBUEQM-VOAKCMCISA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000602688809 349679310 /nfs/dbraw/zinc/67/93/10/349679310.db2.gz DLKJPVPCSBUEQM-XQHKEYJVSA-N 1 0 224.348 2.329 20 30 BEEDRO Cc1ncc(C[NH2+]C[C@@H](C)CCC#N)o1 ZINC000602689238 349679257 /nfs/dbraw/zinc/67/92/57/349679257.db2.gz ACPSNOMMGIECRG-VIFPVBQESA-N 1 0 207.277 2.013 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C#N)c(F)c2)CC1 ZINC000335754552 398342456 /nfs/dbraw/zinc/34/24/56/398342456.db2.gz TXEIZBFQTHNAQY-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)C(F)F ZINC000602679642 349672815 /nfs/dbraw/zinc/67/28/15/349672815.db2.gz RNIJEHQQVQNETH-JPPWEJMLSA-N 1 0 246.301 2.063 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000602681239 349673706 /nfs/dbraw/zinc/67/37/06/349673706.db2.gz NEIBNKQCCSYUES-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[C@H](C[NH2+]C1CCC(C#N)CC1)OC ZINC000602667197 349684745 /nfs/dbraw/zinc/68/47/45/349684745.db2.gz MXPFDUGEBWZHHC-HTAVTVPLSA-N 1 0 210.321 2.083 20 30 BEEDRO CCOC1CC([N@H+](C)C[C@H](C)CCC#N)C1 ZINC000602669458 349685890 /nfs/dbraw/zinc/68/58/90/349685890.db2.gz ZITJTRJEALRUBY-PNESKVBLSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)[N@@H+](C[C@H](C)CCC#N)C1COC1 ZINC000602670280 349686748 /nfs/dbraw/zinc/68/67/48/349686748.db2.gz DFAJJOUPOWGEHE-LLVKDONJSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC(O)(C1CC1)C1CC1 ZINC000602718562 349686786 /nfs/dbraw/zinc/68/67/86/349686786.db2.gz SILBHBFATGAKEY-LLVKDONJSA-N 1 0 236.359 2.067 20 30 BEEDRO COC1([C@H](C)[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602689423 349680200 /nfs/dbraw/zinc/68/02/00/349680200.db2.gz HLPICEZLAOGAEW-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602661888 349682340 /nfs/dbraw/zinc/68/23/40/349682340.db2.gz HXOBJICARCWLIS-ZDUSSCGKSA-N 1 0 248.374 2.453 20 30 BEEDRO N#CC1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000602663644 349682757 /nfs/dbraw/zinc/68/27/57/349682757.db2.gz VAFMDUHDBJTCMP-UHFFFAOYSA-N 1 0 220.316 2.005 20 30 BEEDRO CCC[C@@]1([NH2+]C[C@@H](C)CCC#N)CCOC1 ZINC000602664867 349683650 /nfs/dbraw/zinc/68/36/50/349683650.db2.gz WEOCHNNVDXZWBV-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000351817194 136255041 /nfs/dbraw/zinc/25/50/41/136255041.db2.gz VMQVNXJLXQNVHT-BXUZGUMPSA-N 1 0 249.741 2.004 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000602693261 349689618 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349693440 /nfs/dbraw/zinc/69/34/40/349693440.db2.gz PWKKTYKTIIXKII-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000602697697 349693494 /nfs/dbraw/zinc/69/34/94/349693494.db2.gz LGGJQUISHQVHKQ-ZIAGYGMSSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CS1 ZINC000602699094 349695353 /nfs/dbraw/zinc/69/53/53/349695353.db2.gz QSZIMYHTTPZWHK-NXEZZACHSA-N 1 0 210.346 2.164 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)[C@@H](C)CO1 ZINC000602698319 349694247 /nfs/dbraw/zinc/69/42/47/349694247.db2.gz JQEAEJBMUTXDLW-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)[C@@H](C)CO1 ZINC000602698316 349694293 /nfs/dbraw/zinc/69/42/93/349694293.db2.gz JQEAEJBMUTXDLW-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC000308923645 133451820 /nfs/dbraw/zinc/45/18/20/133451820.db2.gz CRXJVHXRXAFQGU-OTTFEQOBSA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)O 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C[C@@H]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@@H](C)O1 ZINC000602691742 349689025 /nfs/dbraw/zinc/68/90/25/349689025.db2.gz SODJDEWYDNELDK-WCCYQHBJSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C(C)CC[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000351814215 136254912 /nfs/dbraw/zinc/25/49/12/136254912.db2.gz JKSMSVCQLMOQNF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc2cccnc21 ZINC000033605177 187207851 /nfs/dbraw/zinc/20/78/51/187207851.db2.gz DNQQNLSRTWLQSC-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO CO[C@H](C[NH+]1CC(CC#N)C1)C1CCCCC1 ZINC000602707027 349700338 /nfs/dbraw/zinc/70/03/38/349700338.db2.gz IVBNWVJPSKYXJW-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]C2CCC(C#N)CC2)CO1 ZINC000602707964 349700615 /nfs/dbraw/zinc/70/06/15/349700615.db2.gz WRLUOHPBPJPBIU-HTAVTVPLSA-N 1 0 222.332 2.226 20 30 BEEDRO N#CC1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000602707837 349700750 /nfs/dbraw/zinc/70/07/50/349700750.db2.gz JTRJOYHJOPROIL-ILDUYXDCSA-N 1 0 244.285 2.083 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000248579754 323025661 /nfs/dbraw/zinc/02/56/61/323025661.db2.gz FDBNIWFNYQUVSB-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@](CC)(CO)C1 ZINC000351836127 136256472 /nfs/dbraw/zinc/25/64/72/136256472.db2.gz PCONIMVSAKQRQQ-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CC(=O)OC)c1ccccn1 ZINC000351836784 136256658 /nfs/dbraw/zinc/25/66/58/136256658.db2.gz XDGFLIWOTKBUER-AWEZNQCLSA-N 1 0 248.326 2.026 20 30 BEEDRO C=CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602709160 349701667 /nfs/dbraw/zinc/70/16/67/349701667.db2.gz GRWQWYUXBUODCF-UHFFFAOYSA-N 1 0 247.254 2.402 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000602708081 349702098 /nfs/dbraw/zinc/70/20/98/349702098.db2.gz YYPBHIJJSCJBRI-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC000602711038 349703163 /nfs/dbraw/zinc/70/31/63/349703163.db2.gz NPCCMGKEZGKDIP-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccoc1 ZINC000602711495 349703168 /nfs/dbraw/zinc/70/31/68/349703168.db2.gz OHPRAVNWLYMDRB-NSHDSACASA-N 1 0 206.289 2.352 20 30 BEEDRO N#CC1CCC([NH2+]CCc2ccoc2)CC1 ZINC000602712412 349703943 /nfs/dbraw/zinc/70/39/43/349703943.db2.gz VLOLKDNLADPSTO-UHFFFAOYSA-N 1 0 218.300 2.494 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000602701402 349697018 /nfs/dbraw/zinc/69/70/18/349697018.db2.gz QXPKCHGCRHCBQW-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](C)CCC#N ZINC000602712481 349704771 /nfs/dbraw/zinc/70/47/71/349704771.db2.gz XRFUWTRWNJWFKL-LBPRGKRZSA-N 1 0 210.321 2.109 20 30 BEEDRO CCC[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)OC ZINC000602704520 349697826 /nfs/dbraw/zinc/69/78/26/349697826.db2.gz GYRNODXQWHIBKH-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000602714492 349705339 /nfs/dbraw/zinc/70/53/39/349705339.db2.gz AKSIVNVNXUETLR-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)COCC1CC1 ZINC000602713580 349705466 /nfs/dbraw/zinc/70/54/66/349705466.db2.gz WBJBFEHSDVRVKK-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CCCN1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602714077 349705712 /nfs/dbraw/zinc/70/57/12/349705712.db2.gz SRNUOKYLHVSHOE-RUXDESIVSA-N 1 0 235.375 2.143 20 30 BEEDRO CN(Cc1cccc(C#N)c1)[C@H]1CCC[N@H+](C)C1 ZINC000053245247 1172020334 /nfs/dbraw/zinc/02/03/34/1172020334.db2.gz IVNABKLKJJJMCC-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000602716186 349707120 /nfs/dbraw/zinc/70/71/20/349707120.db2.gz AIUAXIVPDDJWQR-NEPJUHHUSA-N 1 0 205.305 2.162 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000313500688 259336472 /nfs/dbraw/zinc/33/64/72/259336472.db2.gz JVPVQFFGMZLEKS-ZDUSSCGKSA-N 1 0 221.348 2.464 20 30 BEEDRO CCOC1CC(C[NH+]2CCC(C#N)CC2)C1 ZINC000351852759 136257615 /nfs/dbraw/zinc/25/76/15/136257615.db2.gz LEQSAIQLERKVAD-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000602737470 349721619 /nfs/dbraw/zinc/72/16/19/349721619.db2.gz VZJPDUGIMHFISC-NOOOWODRSA-N 1 0 210.321 2.082 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000495212655 529574119 /nfs/dbraw/zinc/57/41/19/529574119.db2.gz NRMPVCOXKZPCIH-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)CC1 ZINC000602769214 349723672 /nfs/dbraw/zinc/72/36/72/349723672.db2.gz SLOFXUQXDPPVDC-LBPRGKRZSA-N 1 0 244.342 2.283 20 30 BEEDRO CC[C@@]1(O)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602739088 349708801 /nfs/dbraw/zinc/70/88/01/349708801.db2.gz IOZFMLNBTZZGEP-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602720442 349712302 /nfs/dbraw/zinc/71/23/02/349712302.db2.gz GRYZWBPDSFZIHK-GFCCVEGCSA-N 1 0 227.311 2.351 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CCCOC1 ZINC000602722015 349713040 /nfs/dbraw/zinc/71/30/40/349713040.db2.gz ZAZPILFYJDOGDJ-CHWSQXEVSA-N 1 0 224.348 2.333 20 30 BEEDRO CC(C)CC[C@@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602724518 349714364 /nfs/dbraw/zinc/71/43/64/349714364.db2.gz UYDHNSBNTWMXOD-STQMWFEESA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)[NH2+][C@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602793040 349735803 /nfs/dbraw/zinc/73/58/03/349735803.db2.gz VBOLIASEJDARMP-ZDUSSCGKSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCO[C@H]1C)C1CC1 ZINC000602799629 349741221 /nfs/dbraw/zinc/74/12/21/349741221.db2.gz KGIZOVQJJUGKDX-WOPDTQHZSA-N 1 0 222.332 2.035 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000602801359 349741845 /nfs/dbraw/zinc/74/18/45/349741845.db2.gz QDYIUTZYPAQKDA-KBPBESRZSA-N 1 0 248.370 2.429 20 30 BEEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602779359 349744541 /nfs/dbraw/zinc/74/45/41/349744541.db2.gz MFRNRZOWXQAJLG-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO CCOC[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602780541 349746968 /nfs/dbraw/zinc/74/69/68/349746968.db2.gz VSYSBMXKOVPKLI-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO N#CCC1(C[NH+]2CCC(c3ncc[nH]3)CC2)CC1 ZINC000602779724 349745926 /nfs/dbraw/zinc/74/59/26/349745926.db2.gz NSRMNXMMQQNIML-UHFFFAOYSA-N 1 0 244.342 2.283 20 30 BEEDRO C[C@@H]1OCC[C@@H]1CN(CCC#N)Cc1ccco1 ZINC000602780380 349746123 /nfs/dbraw/zinc/74/61/23/349746123.db2.gz HSMBYHLZZHRSJI-QWHCGFSZSA-N 1 0 248.326 2.420 20 30 BEEDRO C[N@H+](CC1(CC#N)CC1)[C@@H](CO)c1ccccc1 ZINC000602771975 349726235 /nfs/dbraw/zinc/72/62/35/349726235.db2.gz DLJGDZHQTVZPJJ-AWEZNQCLSA-N 1 0 244.338 2.346 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](C)Cc1ccc(OC)cc1 ZINC000090617701 259339569 /nfs/dbraw/zinc/33/95/69/259339569.db2.gz AAOJNGCDUILMMV-CYBMUJFWSA-N 1 0 231.339 2.439 20 30 BEEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602818741 349760132 /nfs/dbraw/zinc/76/01/32/349760132.db2.gz OHPVHMHWEZRAFX-AWEZNQCLSA-N 1 0 236.359 2.307 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(CC2(CC#N)CC2)CC1 ZINC000602824185 349764287 /nfs/dbraw/zinc/76/42/87/349764287.db2.gz XVVRNVUNGLWXIT-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CCC1(C[N@H+]2CCCCC[C@H]2CCO)CC1 ZINC000602827075 349765414 /nfs/dbraw/zinc/76/54/14/349765414.db2.gz NVMZMYBCIWTTJB-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000602785288 349749853 /nfs/dbraw/zinc/74/98/53/349749853.db2.gz ATIKGSAJWWXPQB-STQMWFEESA-N 1 0 234.343 2.181 20 30 BEEDRO COC[C@H]1CCCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602810710 349754931 /nfs/dbraw/zinc/75/49/31/349754931.db2.gz HNCNTGCIWUMQIF-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@@]1(C)C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602817799 349759165 /nfs/dbraw/zinc/75/91/65/349759165.db2.gz SUIKQMQEEHGHHX-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1ccccc1NC(=O)[C@@H](C)N[C@H](C)CC#N ZINC000602861583 349772523 /nfs/dbraw/zinc/77/25/23/349772523.db2.gz GDTGXNMWIGJRDC-VXGBXAGGSA-N 1 0 245.326 2.214 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@H+](CC3(CC#N)CC3)C2)c1 ZINC000602836128 349775517 /nfs/dbraw/zinc/77/55/17/349775517.db2.gz GCCZSOVZUBVVLB-CYBMUJFWSA-N 1 0 244.342 2.132 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H]1C ZINC000602840725 349779601 /nfs/dbraw/zinc/77/96/01/349779601.db2.gz KNDJOXWEUFIPSS-VXGBXAGGSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@@H](O)CC23CCC3)CC1 ZINC000602848545 349784015 /nfs/dbraw/zinc/78/40/15/349784015.db2.gz WDBYSWWGNHFIEX-GFCCVEGCSA-N 1 0 234.343 2.060 20 30 BEEDRO CO[C@](C)([C@@H](C)[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000602844998 349782882 /nfs/dbraw/zinc/78/28/82/349782882.db2.gz XAHOVXAQOGZTDK-DGCLKSJQSA-N 1 0 236.359 2.473 20 30 BEEDRO CN(CC1(CC#N)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000602848462 349783362 /nfs/dbraw/zinc/78/33/62/349783362.db2.gz VLOYHOCCZVACLE-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H]1C[NH+](CCC2CCCC2)C[C@@H](C)N1CC#N ZINC000602855527 349788176 /nfs/dbraw/zinc/78/81/76/349788176.db2.gz HTQGOTKMEWYADK-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H]1C[NH+](CCC(C)(C)C)C[C@@H](C)N1CC#N ZINC000602856097 349789402 /nfs/dbraw/zinc/78/94/02/349789402.db2.gz YKMWTUXQRXCTIJ-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO CC[N@H+](CCSC)CC1(CC#N)CC1 ZINC000602848982 349784426 /nfs/dbraw/zinc/78/44/26/349784426.db2.gz JAJLTPVYTDHIEG-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CC(C)=CCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851762 349786326 /nfs/dbraw/zinc/78/63/26/349786326.db2.gz XPDRUVFYMGYZPE-KBPBESRZSA-N 1 0 235.375 2.261 20 30 BEEDRO CC#CCN(C)Cc1ccccc1OC ZINC000172731452 187226708 /nfs/dbraw/zinc/22/67/08/187226708.db2.gz AIVPSPHOXSDIBW-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO C=C(C)CN(C)[C@H](C(=O)OC)c1ccccc1 ZINC000172420220 187227663 /nfs/dbraw/zinc/22/76/63/187227663.db2.gz MGTFMJZWAKYUEQ-ZDUSSCGKSA-N 1 0 233.311 2.409 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000180636728 187228240 /nfs/dbraw/zinc/22/82/40/187228240.db2.gz JLMRRNISMFSNGP-CYBMUJFWSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC(=O)NC1)c1ccco1 ZINC000353406017 136265454 /nfs/dbraw/zinc/26/54/54/136265454.db2.gz SZYNRHFCEGQDCX-VXGBXAGGSA-N 1 0 248.326 2.155 20 30 BEEDRO CSC[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000379358531 343097580 /nfs/dbraw/zinc/09/75/80/343097580.db2.gz VPXMKKWLYRDTIR-VHSXEESVSA-N 1 0 200.351 2.267 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000576870302 365708466 /nfs/dbraw/zinc/70/84/66/365708466.db2.gz RWQAIOYYWVVEPW-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000386699280 343093302 /nfs/dbraw/zinc/09/33/02/343093302.db2.gz MNUOUYNGBNZNNV-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C[C@H](Cc1ccsc1)[NH2+]C[C@H](C)C#N ZINC000049181874 343094208 /nfs/dbraw/zinc/09/42/08/343094208.db2.gz ZPYFKQBJXVSDPN-NXEZZACHSA-N 1 0 208.330 2.428 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049181871 343094268 /nfs/dbraw/zinc/09/42/68/343094268.db2.gz ZPYFKQBJXVSDPN-ZJUUUORDSA-N 1 0 208.330 2.428 20 30 BEEDRO C=C(C)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120508840 136269310 /nfs/dbraw/zinc/26/93/10/136269310.db2.gz DZQPWCICHMPHDK-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)Nc1cccc(F)c1 ZINC000263924447 187234574 /nfs/dbraw/zinc/23/45/74/187234574.db2.gz FVFQDQPJZQYFGC-UHFFFAOYSA-N 1 0 248.301 2.109 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000266499434 187234697 /nfs/dbraw/zinc/23/46/97/187234697.db2.gz VATTWNQBWFVYAD-NSHDSACASA-N 1 0 244.766 2.120 20 30 BEEDRO C=CCCCCn1cc([C@H]([NH3+])CCC)nn1 ZINC000640939421 362077432 /nfs/dbraw/zinc/07/74/32/362077432.db2.gz PSHMAUVOLZDZHM-LLVKDONJSA-N 1 0 222.336 2.434 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C(C)C)C1CCOCC1 ZINC000305062619 136269619 /nfs/dbraw/zinc/26/96/19/136269619.db2.gz GXUDYROIZRCYCG-AWEZNQCLSA-N 1 0 241.375 2.203 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000266937916 187235929 /nfs/dbraw/zinc/23/59/29/187235929.db2.gz QIFZPZDYFBYJOZ-UHFFFAOYSA-N 1 0 232.283 2.092 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C)c(C)cc1O ZINC000271135119 187236159 /nfs/dbraw/zinc/23/61/59/187236159.db2.gz LXRRAYSKHCPQPG-UHFFFAOYSA-N 1 0 217.312 2.464 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccccc1OCCOC ZINC000271121893 187236647 /nfs/dbraw/zinc/23/66/47/187236647.db2.gz FKWQOTNKVRHMOQ-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C[C@H]1CCCC[C@@H]1[NH2+]CCOCCC#N ZINC000339085369 136271156 /nfs/dbraw/zinc/27/11/56/136271156.db2.gz GIPJOERPCZEDHT-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[N@H+](CCOCCC#N)C1 ZINC000339009362 136271163 /nfs/dbraw/zinc/27/11/63/136271163.db2.gz AZAKGNLVYVBYQR-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000276694565 187239249 /nfs/dbraw/zinc/23/92/49/187239249.db2.gz VDGJUGFJXFZOKT-GARJFASQSA-N 1 0 222.336 2.066 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000279448042 187241012 /nfs/dbraw/zinc/24/10/12/187241012.db2.gz SGWSUMXJORFARC-UHFFFAOYSA-N 1 0 217.272 2.335 20 30 BEEDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576954816 365731298 /nfs/dbraw/zinc/73/12/98/365731298.db2.gz XXDWTXSHPCAZPW-NSHDSACASA-N 1 0 247.367 2.281 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000122851454 343161742 /nfs/dbraw/zinc/16/17/42/343161742.db2.gz WYVLAPKAPOOBMN-MNOVXSKESA-N 1 0 218.300 2.072 20 30 BEEDRO COC[C@@H]([NH2+]CCCC#N)C1CCCC1 ZINC000308940519 136274339 /nfs/dbraw/zinc/27/43/39/136274339.db2.gz MAGNHOLUHJHOLJ-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO Cc1ccccc1NC(=O)CC[NH2+][C@@H](C)CC#N ZINC000602870465 349801538 /nfs/dbraw/zinc/80/15/38/349801538.db2.gz UFXCHBRZQBVYGS-LBPRGKRZSA-N 1 0 245.326 2.215 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCCOC(C)(C)C ZINC000602869911 349800798 /nfs/dbraw/zinc/80/07/98/349800798.db2.gz JSDPQBNUBLAPTE-NSHDSACASA-N 1 0 212.337 2.473 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccnc(N)c1 ZINC000334552976 136276888 /nfs/dbraw/zinc/27/68/88/136276888.db2.gz APAJZUYAPZGBOR-GFCCVEGCSA-N 1 0 217.316 2.035 20 30 BEEDRO Cc1nc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cs1 ZINC000336696946 136274285 /nfs/dbraw/zinc/27/42/85/136274285.db2.gz MDLIWGOYUUCCRP-QWRGUYRKSA-N 1 0 235.356 2.276 20 30 BEEDRO COc1cncc(/C=C/CC[NH2+][C@@H](C)CC#N)c1 ZINC000602871478 349802738 /nfs/dbraw/zinc/80/27/38/349802738.db2.gz RXKRZDLBXBRVAD-PYEVWLCESA-N 1 0 245.326 2.385 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000339012283 136279826 /nfs/dbraw/zinc/27/98/26/136279826.db2.gz JIPZDTCWVUWAOR-KKUMJFAQSA-N 1 0 249.402 2.342 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000339014118 136280049 /nfs/dbraw/zinc/28/00/49/136280049.db2.gz KJSPZBIJUOLRRU-HNNXBMFYSA-N 1 0 244.338 2.234 20 30 BEEDRO C[N@H+](CCOCC1CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339011242 136280174 /nfs/dbraw/zinc/28/01/74/136280174.db2.gz CQJPMXINTQECFH-CHWSQXEVSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCCCCn1cc(CCCC[NH3+])nn1 ZINC000641045209 362156719 /nfs/dbraw/zinc/15/67/19/362156719.db2.gz NCAUUGCVGUCXMF-UHFFFAOYSA-N 1 0 236.363 2.306 20 30 BEEDRO CC[N@H+](CCCCC#N)C[C@H]1CCOC1 ZINC000609047824 343268328 /nfs/dbraw/zinc/26/83/28/343268328.db2.gz ZEGXXNFSRRVZBG-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(OCCOC)cc1 ZINC000119637633 136291978 /nfs/dbraw/zinc/29/19/78/136291978.db2.gz DXUJRLRNRJMKOE-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)C1CC1 ZINC000165437358 343330494 /nfs/dbraw/zinc/33/04/94/343330494.db2.gz CHRVYHRROJYEFR-UHFFFAOYSA-N 1 0 200.285 2.461 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000165416433 343292362 /nfs/dbraw/zinc/29/23/62/343292362.db2.gz MLLLXGYFXZOLRB-DOMZBBRYSA-N 1 0 244.338 2.381 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccccc1OC ZINC000070159395 343303627 /nfs/dbraw/zinc/30/36/27/343303627.db2.gz LAOOTNUBIIXNRA-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(CO)CC1 ZINC000165437066 343332792 /nfs/dbraw/zinc/33/27/92/343332792.db2.gz QQGQVHSITZITBB-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO N#CCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075864224 343361859 /nfs/dbraw/zinc/36/18/59/343361859.db2.gz WUUGTWOKBJRDJN-OAHLLOKOSA-N 1 0 244.338 2.439 20 30 BEEDRO C=C(C)CN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000335631520 136300174 /nfs/dbraw/zinc/30/01/74/136300174.db2.gz ANMODOHDOQDYNZ-UHFFFAOYSA-N 1 0 245.326 2.330 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C#N)cc2C)CC1 ZINC000165440333 343335460 /nfs/dbraw/zinc/33/54/60/343335460.db2.gz CTGGWYWQMGBWNA-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC(C3CCC3)C2)o1 ZINC000335652916 136305445 /nfs/dbraw/zinc/30/54/45/136305445.db2.gz VXDHWVXSSMBJIT-UHFFFAOYSA-N 1 0 216.284 2.383 20 30 BEEDRO C=CCCC[NH+]1CCC(C(=O)OCC)CC1 ZINC000071278103 343347383 /nfs/dbraw/zinc/34/73/83/343347383.db2.gz MBKSYLUTUVVPMV-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000274834447 187337832 /nfs/dbraw/zinc/33/78/32/187337832.db2.gz NBFRDMBYVHPLJL-JTQLQIEISA-N 1 0 207.321 2.345 20 30 BEEDRO CN1CC[N@H+](CCCCC#N)C[C@@H]1C(C)(C)C ZINC000602874472 349805936 /nfs/dbraw/zinc/80/59/36/349805936.db2.gz RGKDZNVLACDOGT-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000348915765 136307684 /nfs/dbraw/zinc/30/76/84/136307684.db2.gz CRZMNSQBXNTJRS-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1ccsc1C[NH2+]C1CCN(CC#N)CC1 ZINC000609335033 343418669 /nfs/dbraw/zinc/41/86/69/343418669.db2.gz PWJPHJZYQJDEON-UHFFFAOYSA-N 1 0 249.383 2.134 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000335680500 136328500 /nfs/dbraw/zinc/32/85/00/136328500.db2.gz VDFJHKBWOXGRLP-QWRGUYRKSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@H](CO)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000335720436 136345686 /nfs/dbraw/zinc/34/56/86/136345686.db2.gz SWYCSMFQZCMABT-IAQYHMDHSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000602916038 349808586 /nfs/dbraw/zinc/80/85/86/349808586.db2.gz PNMKAHPLRGNTDB-YFKTTZPYSA-N 1 0 222.332 2.082 20 30 BEEDRO Cc1cc(C[NH2+]C2CCOCC2)ccc1C#N ZINC000335686555 136330387 /nfs/dbraw/zinc/33/03/87/136330387.db2.gz RFWJDEVLHCDPRT-UHFFFAOYSA-N 1 0 230.311 2.135 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602916036 349808663 /nfs/dbraw/zinc/80/86/63/349808663.db2.gz PNMKAHPLRGNTDB-WRWGMCAJSA-N 1 0 222.332 2.082 20 30 BEEDRO C[C@@H]1C[NH+](Cc2cc(C#N)n(C)c2)C[C@@H](C)S1 ZINC000335710631 136337676 /nfs/dbraw/zinc/33/76/76/136337676.db2.gz WTIUWWHJAIHXDM-GHMZBOCLSA-N 1 0 249.383 2.223 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(C#N)cs1 ZINC000335719820 136340796 /nfs/dbraw/zinc/34/07/96/136340796.db2.gz TZYQACKZTUSHLE-QWRGUYRKSA-N 1 0 249.383 2.144 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000349349384 136342579 /nfs/dbraw/zinc/34/25/79/136342579.db2.gz AQFKRUPXMIPASG-NQBHXWOUSA-N 1 0 228.295 2.402 20 30 BEEDRO C=C(C)CN(C)[C@@H](C)c1nnc(CC)o1 ZINC000351097972 136367307 /nfs/dbraw/zinc/36/73/07/136367307.db2.gz JUOQOIBSWRTINO-VIFPVBQESA-N 1 0 209.293 2.201 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC2CCCCCCC2)N1 ZINC000262672526 136374777 /nfs/dbraw/zinc/37/47/77/136374777.db2.gz RVLBVGHOPHCOTM-NSHDSACASA-N 1 0 223.364 2.284 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000289847574 136375504 /nfs/dbraw/zinc/37/55/04/136375504.db2.gz NQWJVMKUSQFDGF-CKYFFXLPSA-N 1 0 221.300 2.040 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(Cl)cs1 ZINC000289857577 136375657 /nfs/dbraw/zinc/37/56/57/136375657.db2.gz OIQSVPROKNUUCP-MRVPVSSYSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(c2ccccc2)C1 ZINC000289915775 136375686 /nfs/dbraw/zinc/37/56/86/136375686.db2.gz UQXKZMOLVPBECW-ROKHWSDSSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000577000919 365750385 /nfs/dbraw/zinc/75/03/85/365750385.db2.gz BFIFVSPLABWKBE-AWEZNQCLSA-N 1 0 244.338 2.173 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000393620565 259363077 /nfs/dbraw/zinc/36/30/77/259363077.db2.gz FIHPIDCJBRVFEM-RYUDHWBXSA-N 1 0 202.301 2.452 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000393620566 259363087 /nfs/dbraw/zinc/36/30/87/259363087.db2.gz FIHPIDCJBRVFEM-VXGBXAGGSA-N 1 0 202.301 2.452 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000577005641 365753792 /nfs/dbraw/zinc/75/37/92/365753792.db2.gz KTUVZPSVHUQUOP-CQSZACIVSA-N 1 0 238.375 2.409 20 30 BEEDRO COCCN(CCC#N)CCC(C)(C)C ZINC000070846099 343513248 /nfs/dbraw/zinc/51/32/48/343513248.db2.gz XETHORCAEQLNQI-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C[NH+](C)[C@@H](CNCCC#N)C1CCCCC1 ZINC000568077372 343520735 /nfs/dbraw/zinc/52/07/35/343520735.db2.gz OYTQJTJDHDPGJF-ZDUSSCGKSA-N 1 0 223.364 2.000 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)C(C)(C)CO ZINC000165507755 343531553 /nfs/dbraw/zinc/53/15/53/343531553.db2.gz QPNCDSKMRJGAAF-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000616758897 343561281 /nfs/dbraw/zinc/56/12/81/343561281.db2.gz IPSLZCVKKFHSHC-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CC[NH2+]CCN(C)Cc1ccccc1C ZINC000053439981 1172030465 /nfs/dbraw/zinc/03/04/65/1172030465.db2.gz AGGSWDFNCOYAEL-UHFFFAOYSA-N 1 0 218.344 2.202 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)C(C)(C)O)ccc1C#N ZINC000618192337 343584199 /nfs/dbraw/zinc/58/41/99/343584199.db2.gz JVKQJLJUDQTRPE-LLVKDONJSA-N 1 0 232.327 2.116 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)CC(F)(F)F ZINC000188670562 349818611 /nfs/dbraw/zinc/81/86/11/349818611.db2.gz BCNZGYSTXJAQDE-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)[C@H](CO)C1 ZINC000602931298 349822264 /nfs/dbraw/zinc/82/22/64/349822264.db2.gz PCUDXHGNMCUXBC-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000234657387 343623230 /nfs/dbraw/zinc/62/32/30/343623230.db2.gz LLIVZLQLUCTNLZ-SECBINFHSA-N 1 0 237.274 2.276 20 30 BEEDRO CCC1([NH+](C)C)CCN([C@H](C)CCC#N)CC1 ZINC000602966834 349827279 /nfs/dbraw/zinc/82/72/79/349827279.db2.gz SJDOXCNSPSJWNP-CYBMUJFWSA-N 1 0 237.391 2.485 20 30 BEEDRO CCC1([NH+](C)C)CCN(CCCC#N)CC1 ZINC000602966738 349827345 /nfs/dbraw/zinc/82/73/45/349827345.db2.gz PVZDUVTWWHJIME-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCN(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000580579999 365790446 /nfs/dbraw/zinc/79/04/46/365790446.db2.gz AGELZMSNNMRVSL-UHFFFAOYSA-N 1 0 246.354 2.049 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCC(=O)Nc1ccccc1 ZINC000574888445 343631404 /nfs/dbraw/zinc/63/14/04/343631404.db2.gz XPOXDIYSSYTREQ-GFCCVEGCSA-N 1 0 245.326 2.297 20 30 BEEDRO CCOC1CC(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000602981870 349833230 /nfs/dbraw/zinc/83/32/30/349833230.db2.gz KORVLVFRXFIQMC-GNRIBBGQSA-N 1 0 236.359 2.426 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000380001913 365793925 /nfs/dbraw/zinc/79/39/25/365793925.db2.gz NISASXCTMAUYCO-NEPJUHHUSA-N 1 0 209.333 2.336 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)[C@H](C)O1 ZINC000602016825 343664187 /nfs/dbraw/zinc/66/41/87/343664187.db2.gz HVPGNMJRVZAMAF-ISTVAULSSA-N 1 0 248.301 2.353 20 30 BEEDRO CC(C)CC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602981346 349830550 /nfs/dbraw/zinc/83/05/50/349830550.db2.gz BRRXZDXMZDIUOJ-HZSPNIEDSA-N 1 0 238.375 2.408 20 30 BEEDRO C=CCSCCNC(=[NH2+])NC1CCCCC1 ZINC000221883563 343665152 /nfs/dbraw/zinc/66/51/52/343665152.db2.gz XVSRXKZUWYBTOZ-UHFFFAOYSA-N 1 0 241.404 2.352 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000602981577 349831911 /nfs/dbraw/zinc/83/19/11/349831911.db2.gz GJFHFKHLCCMZKF-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@H]1CCC[C@@H]1C#N ZINC000602977362 349842508 /nfs/dbraw/zinc/84/25/08/349842508.db2.gz AHOVNYKCXIIIPQ-NEPJUHHUSA-N 1 0 237.372 2.257 20 30 BEEDRO CCC[N@H+](CCOCCC#N)CC(C)C ZINC000338934357 343691996 /nfs/dbraw/zinc/69/19/96/343691996.db2.gz BVMZRGISBCUSEI-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO COCCCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602978947 349842837 /nfs/dbraw/zinc/84/28/37/349842837.db2.gz ZBPLUDFDDIOXAZ-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CCOCCC#N)C1 ZINC000339121514 343695532 /nfs/dbraw/zinc/69/55/32/343695532.db2.gz YTRPTRBLFXUKAP-JHJVBQTASA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCCC[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602985023 349837302 /nfs/dbraw/zinc/83/73/02/349837302.db2.gz IDVDZMUFJRPABG-UHFFFAOYSA-N 1 0 223.316 2.123 20 30 BEEDRO CO[C@@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000339526774 343701110 /nfs/dbraw/zinc/70/11/10/343701110.db2.gz DTZQMGBQINYASB-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO COCC(C)(C)C[NH2+]CC1(C#N)CCCC1 ZINC000405168777 343701649 /nfs/dbraw/zinc/70/16/49/343701649.db2.gz WVMRJHQCZAXXKV-UHFFFAOYSA-N 1 0 224.348 2.333 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339746732 343702172 /nfs/dbraw/zinc/70/21/72/343702172.db2.gz GLJZNEOOBINKOX-ZDUSSCGKSA-N 1 0 238.375 2.411 20 30 BEEDRO CCCN1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389264425 343685768 /nfs/dbraw/zinc/68/57/68/343685768.db2.gz PJEQBKRVCGLDOD-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@H]1CCC[C@H]1C#N ZINC000602977364 349842123 /nfs/dbraw/zinc/84/21/23/349842123.db2.gz AHOVNYKCXIIIPQ-RYUDHWBXSA-N 1 0 237.372 2.257 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCC(C)C)C1CC1 ZINC000338776007 343688856 /nfs/dbraw/zinc/68/88/56/343688856.db2.gz JDLIYLMBWWGBGY-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO CN(CCC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602979579 349844114 /nfs/dbraw/zinc/84/41/14/349844114.db2.gz GCGRQPMOHSDNOW-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO CN(CCC[NH+]1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602979580 349844189 /nfs/dbraw/zinc/84/41/89/349844189.db2.gz GCGRQPMOHSDNOW-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000602980137 349845314 /nfs/dbraw/zinc/84/53/14/349845314.db2.gz MKBRSQHWUFRPDT-YIYPIFLZSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[NH+](CC)CCCN(C)[C@H]1CCC[C@H]1C#N ZINC000602980553 349845925 /nfs/dbraw/zinc/84/59/25/349845925.db2.gz RGICQDNUFRFGPY-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO CC1(F)CC[NH+](CCCSCC#N)CC1 ZINC000602992988 349847617 /nfs/dbraw/zinc/84/76/17/349847617.db2.gz MPOVTEKDZUNYJK-UHFFFAOYSA-N 1 0 230.352 2.457 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000570407728 323058825 /nfs/dbraw/zinc/05/88/25/323058825.db2.gz JZWDTBNWRRLFNZ-MNOVXSKESA-N 1 0 210.321 2.226 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H](O)CSC ZINC000187900333 259370660 /nfs/dbraw/zinc/37/06/60/259370660.db2.gz FTMFPYKXDOKPNQ-LBPRGKRZSA-N 1 0 231.405 2.389 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC000625700052 344039448 /nfs/dbraw/zinc/03/94/48/344039448.db2.gz HKULXMFGHYNFBK-GFCCVEGCSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000625700202 344039648 /nfs/dbraw/zinc/03/96/48/344039648.db2.gz JRLAZFHTIBWNGA-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)NCCCC)C1 ZINC000625700547 344040314 /nfs/dbraw/zinc/04/03/14/344040314.db2.gz KCWYREDSJNPKRJ-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCO[C@H]2CCCCO2)C1 ZINC000625700602 344040413 /nfs/dbraw/zinc/04/04/13/344040413.db2.gz CRFCMVXFHSKMRB-KBPBESRZSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000625700802 344040644 /nfs/dbraw/zinc/04/06/44/344040644.db2.gz MISQGOVHTGSZBX-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000625700938 344040676 /nfs/dbraw/zinc/04/06/76/344040676.db2.gz FVVFDVCXQPUWQE-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO Cc1cc(C[NH+]2CC(C(C)(C)O)C2)ccc1C#N ZINC000334513790 343889047 /nfs/dbraw/zinc/88/90/47/343889047.db2.gz UFEMTAXQFZDXKT-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)ccc1C#N ZINC000334569417 343892126 /nfs/dbraw/zinc/89/21/26/343892126.db2.gz PCXDHERYGJCJGS-DOMZBBRYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)ccc1C#N ZINC000334569418 343892279 /nfs/dbraw/zinc/89/22/79/343892279.db2.gz PCXDHERYGJCJGS-IUODEOHRSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1cc(CN2CCC[C@@H]2C(N)=O)ccc1C#N ZINC000334622062 343896488 /nfs/dbraw/zinc/89/64/88/343896488.db2.gz YXDHRLBGZYUHLS-CYBMUJFWSA-N 1 0 243.310 2.366 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCCO1 ZINC000393604501 343899469 /nfs/dbraw/zinc/89/94/69/343899469.db2.gz XRYNJWMMZXYESR-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCCO1 ZINC000393604508 343899511 /nfs/dbraw/zinc/89/95/11/343899511.db2.gz XRYNJWMMZXYESR-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000393623935 343902955 /nfs/dbraw/zinc/90/29/55/343902955.db2.gz PCFJNXBJSTVSEA-UHFFFAOYSA-N 1 0 221.329 2.025 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2(C)C)ccc1C#N ZINC000334748200 343905506 /nfs/dbraw/zinc/90/55/06/343905506.db2.gz KXTPZATYONGGPG-CQSZACIVSA-N 1 0 244.338 2.212 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000366762331 187356004 /nfs/dbraw/zinc/35/60/04/187356004.db2.gz BVMKCCNTFSKDAS-LSDHHAIUSA-N 1 0 242.322 2.169 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C#N)c1 ZINC000038087453 343942535 /nfs/dbraw/zinc/94/25/35/343942535.db2.gz GFGLFDKAIIDIII-NWDGAFQWSA-N 1 0 231.343 2.159 20 30 BEEDRO C=CCCC[C@@H](C)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000641234837 362288479 /nfs/dbraw/zinc/28/84/79/362288479.db2.gz VVEJNQVECJPKME-GHMZBOCLSA-N 1 0 222.336 2.476 20 30 BEEDRO C=C(C)C[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000335881848 344046530 /nfs/dbraw/zinc/04/65/30/344046530.db2.gz TZQSXCZUKZVDDJ-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO COCC#CC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625786839 344074040 /nfs/dbraw/zinc/07/40/40/344074040.db2.gz NVEGKSVLDOPHMY-OAHLLOKOSA-N 1 0 244.338 2.162 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000625703062 344047085 /nfs/dbraw/zinc/04/70/85/344047085.db2.gz KWFAQCREZKKKIC-GFCCVEGCSA-N 1 0 244.338 2.184 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000625702948 344047678 /nfs/dbraw/zinc/04/76/78/344047678.db2.gz PAQPJDXMTQOTBG-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCc2ccnn2CC)C1 ZINC000625701810 344052837 /nfs/dbraw/zinc/05/28/37/344052837.db2.gz LPRYZKOYMZGTIS-CYBMUJFWSA-N 1 0 233.359 2.344 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC(F)(F)CC1 ZINC000625770776 344066588 /nfs/dbraw/zinc/06/65/88/344066588.db2.gz SLSVJXBKUZDNEK-JTQLQIEISA-N 1 0 219.275 2.045 20 30 BEEDRO COc1ccc(C[NH2+]CC(C)C)cc1C#N ZINC000083729917 187285584 /nfs/dbraw/zinc/28/55/84/187285584.db2.gz QKTPVMSCOASRGF-UHFFFAOYSA-N 1 0 218.300 2.312 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625778793 344072280 /nfs/dbraw/zinc/07/22/80/344072280.db2.gz PKYPXTMQQZFSCM-NEPJUHHUSA-N 1 0 227.373 2.159 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000078527242 344098578 /nfs/dbraw/zinc/09/85/78/344098578.db2.gz PZFQCGFSHBNWIA-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(F)cc1 ZINC000152922251 166202615 /nfs/dbraw/zinc/20/26/15/166202615.db2.gz ZTABZWMNMCPESV-UHFFFAOYSA-N 1 0 223.316 2.282 20 30 BEEDRO C=CCSCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000129362837 344213201 /nfs/dbraw/zinc/21/32/01/344213201.db2.gz QANATAYYOPHLJW-NWDGAFQWSA-N 1 0 229.389 2.310 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccccn1 ZINC000129991431 344217307 /nfs/dbraw/zinc/21/73/07/344217307.db2.gz PMINSOSNAJFTRS-NSHDSACASA-N 1 0 220.341 2.099 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(COC)cc1 ZINC000130482137 344221772 /nfs/dbraw/zinc/22/17/72/344221772.db2.gz LSAGEIKAXLTGFD-NSHDSACASA-N 1 0 205.301 2.497 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cncs1 ZINC000131556233 344233000 /nfs/dbraw/zinc/23/30/00/344233000.db2.gz RHIJDOAZIJGMKP-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO Cc1nocc1CN1CCC[C@](C)(C#N)C1 ZINC000590362528 347032256 /nfs/dbraw/zinc/03/22/56/347032256.db2.gz OMHIIPPLSBZVRZ-GFCCVEGCSA-N 1 0 219.288 2.109 20 30 BEEDRO N#CCOc1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000180554352 347033579 /nfs/dbraw/zinc/03/35/79/347033579.db2.gz GVWDRXYNBNKKRO-LBPRGKRZSA-N 1 0 248.351 2.184 20 30 BEEDRO CC(C)C(N)=[NH+]OC/C(Cl)=C/Cl ZINC000128446191 344206421 /nfs/dbraw/zinc/20/64/21/344206421.db2.gz OBRXSVWYTHTLJT-UTCJRWHESA-N 1 0 211.092 2.250 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000309347099 347039153 /nfs/dbraw/zinc/03/91/53/347039153.db2.gz LYAYQHGSROORHF-GFCCVEGCSA-N 1 0 224.348 2.091 20 30 BEEDRO C[N@H+](CCCCC#N)CC1CCOCC1 ZINC000107064665 347042586 /nfs/dbraw/zinc/04/25/86/347042586.db2.gz JCXSOARNUJUGLO-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290392093 344275091 /nfs/dbraw/zinc/27/50/91/344275091.db2.gz ORQFEPUUCQDFOL-BDAKNGLRSA-N 1 0 226.345 2.251 20 30 BEEDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600731722 344364596 /nfs/dbraw/zinc/36/45/96/344364596.db2.gz ZEKKWCGXRNXBAO-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600735478 344365010 /nfs/dbraw/zinc/36/50/10/344365010.db2.gz JRHIGGFZXOLESF-AGIUHOORSA-N 1 0 236.359 2.065 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600735593 344365277 /nfs/dbraw/zinc/36/52/77/344365277.db2.gz LNJRWQMPPIBMTR-FRRDWIJNSA-N 1 0 236.359 2.065 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600735631 344365281 /nfs/dbraw/zinc/36/52/81/344365281.db2.gz MUXURFREJJQGAR-AGIUHOORSA-N 1 0 236.359 2.067 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000133644056 344321534 /nfs/dbraw/zinc/32/15/34/344321534.db2.gz DQFANHPRVUUOOI-WDEREUQCSA-N 1 0 205.301 2.404 20 30 BEEDRO CO[C@@H](C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000400123241 344325008 /nfs/dbraw/zinc/32/50/08/344325008.db2.gz MTRRGKGITYNGMV-ZDUSSCGKSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC2=CCCCC2)CC1 ZINC000600738802 344366424 /nfs/dbraw/zinc/36/64/24/344366424.db2.gz LLJAIMVEYLIGJK-ZDUSSCGKSA-N 1 0 234.343 2.131 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)c2nccn2C)CCC1 ZINC000620605843 344356974 /nfs/dbraw/zinc/35/69/74/344356974.db2.gz KXMXNXXRHQFRTD-NSHDSACASA-N 1 0 247.342 2.344 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000600744362 344367917 /nfs/dbraw/zinc/36/79/17/344367917.db2.gz MOAOPKUWTXRYRJ-RQJABVFESA-N 1 0 248.370 2.067 20 30 BEEDRO CC(C)CC[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600717796 344362576 /nfs/dbraw/zinc/36/25/76/344362576.db2.gz NKZUFDUWEFEHSW-QWHCGFSZSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)C[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600725672 344363435 /nfs/dbraw/zinc/36/34/35/344363435.db2.gz FTAHTRAGELHFCC-NWDGAFQWSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H](CO)CC1CCC1 ZINC000600875848 344387115 /nfs/dbraw/zinc/38/71/15/344387115.db2.gz ACZPLIMJTBTTMZ-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN(CCCCC#N)C1 ZINC000609385877 344470630 /nfs/dbraw/zinc/47/06/30/344470630.db2.gz GFRZACPRQFPGAC-CYBMUJFWSA-N 1 0 223.364 2.143 20 30 BEEDRO CC[C@H](C)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765703 344493625 /nfs/dbraw/zinc/49/36/25/344493625.db2.gz BCOXKXSPMVDGAX-NSHDSACASA-N 1 0 217.316 2.431 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]CC1(CC#N)CC1)OC ZINC000381319453 344495531 /nfs/dbraw/zinc/49/55/31/344495531.db2.gz WBOMQQXYTVAHCR-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C1CCOCC1 ZINC000381471272 344510483 /nfs/dbraw/zinc/51/04/83/344510483.db2.gz MQOYXCBYEIRGNB-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)[nH]n1 ZINC000381557788 344521379 /nfs/dbraw/zinc/52/13/79/344521379.db2.gz PTSJPGPYBKMUFP-UHFFFAOYSA-N 1 0 220.320 2.138 20 30 BEEDRO C=CCC1([NH2+]Cc2ncnn2C)CCCCC1 ZINC000625936574 344573201 /nfs/dbraw/zinc/57/32/01/344573201.db2.gz QDOBYEIDWUYJPG-UHFFFAOYSA-N 1 0 234.347 2.184 20 30 BEEDRO C=CCNC(=O)C[NH2+]C1(CC=C)CCCCC1 ZINC000625937452 344573246 /nfs/dbraw/zinc/57/32/46/344573246.db2.gz ZUYPRQQTRUGBLK-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC1([NH2+]CC(=O)NC(C)C)CCCCC1 ZINC000625937844 344575112 /nfs/dbraw/zinc/57/51/12/344575112.db2.gz YBHMVRIFDXIECD-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(CC)C[N@H+](CCC(=O)OC)C(C)C ZINC000358500853 344564035 /nfs/dbraw/zinc/56/40/35/344564035.db2.gz QRBYJHDGGDBQIW-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@@H+](C)CCOC[C@H]1CCCO1 ZINC000152578867 344581736 /nfs/dbraw/zinc/58/17/36/344581736.db2.gz HMVBAWKQLJJMPN-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C[NH+]1CCC(Nc2cc(F)cc(C#N)c2)CC1 ZINC000227607706 344584979 /nfs/dbraw/zinc/58/49/79/344584979.db2.gz DHIBXOHAZLZYJC-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1)C1CC1 ZINC000181470476 347060653 /nfs/dbraw/zinc/06/06/53/347060653.db2.gz GVACTXRTBWRXBG-QWHCGFSZSA-N 1 0 247.317 2.091 20 30 BEEDRO CN(C(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1)C1CC1 ZINC000181470493 347060548 /nfs/dbraw/zinc/06/05/48/347060548.db2.gz GVACTXRTBWRXBG-STQMWFEESA-N 1 0 247.317 2.091 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000249058475 323075837 /nfs/dbraw/zinc/07/58/37/323075837.db2.gz ZJXFIDJEIALBGX-CYDGBPFRSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015278 344671431 /nfs/dbraw/zinc/67/14/31/344671431.db2.gz PBDSAIHIPSQGED-UONOGXRCSA-N 1 0 223.360 2.437 20 30 BEEDRO C=C(C)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626025287 344676491 /nfs/dbraw/zinc/67/64/91/344676491.db2.gz QLKVFQKBFFMWRZ-UHFFFAOYSA-N 1 0 203.285 2.326 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCCC1(F)F ZINC000491787516 259378605 /nfs/dbraw/zinc/37/86/05/259378605.db2.gz QSBKWDKPFPHCGS-VHSXEESVSA-N 1 0 201.260 2.375 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626027198 344679801 /nfs/dbraw/zinc/67/98/01/344679801.db2.gz OIPYACTZAQZWLP-ZDUSSCGKSA-N 1 0 247.338 2.077 20 30 BEEDRO N#Cc1cccc(C[NH+]2CCCCCC2)n1 ZINC000260215456 344732628 /nfs/dbraw/zinc/73/26/28/344732628.db2.gz QQHDNKVWZYDBLD-UHFFFAOYSA-N 1 0 215.300 2.329 20 30 BEEDRO CCNC(NC[C@@H](C)Oc1ccccc1)=[NH+]CC ZINC000114053909 344682638 /nfs/dbraw/zinc/68/26/38/344682638.db2.gz IZKOVLPBRZLEMS-GFCCVEGCSA-N 1 0 249.358 2.029 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2ccncc2)s1 ZINC000135561569 344748298 /nfs/dbraw/zinc/74/82/98/344748298.db2.gz WOAUDSKOGBTZJW-UHFFFAOYSA-N 1 0 229.308 2.305 20 30 BEEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC000309458624 347067781 /nfs/dbraw/zinc/06/77/81/347067781.db2.gz NFSZIWCVZXGKEN-OLZOCXBDSA-N 1 0 241.400 2.290 20 30 BEEDRO CC[C@@H](CNc1ncccc1C#N)[NH+]1CCCC1 ZINC000075677194 344784541 /nfs/dbraw/zinc/78/45/41/344784541.db2.gz OONWHSSQDTWPMY-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO C#CC[N@@H+](CCC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000077322242 344816209 /nfs/dbraw/zinc/81/62/09/344816209.db2.gz SLXBBHGXCZCXPM-XQQFMLRXSA-N 1 0 221.344 2.145 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000583367341 344838135 /nfs/dbraw/zinc/83/81/35/344838135.db2.gz PXSSOKLGQLSFGU-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO Cn1cc(C[N@H+](C)CC(C)(C)CCC#N)cn1 ZINC000119736870 344861104 /nfs/dbraw/zinc/86/11/04/344861104.db2.gz SLZDPURZHMFGFC-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1ncccc1C#N ZINC000078394048 344860243 /nfs/dbraw/zinc/86/02/43/344860243.db2.gz MHONUUAVRJHMPX-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO CC#CC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000119815586 344865739 /nfs/dbraw/zinc/86/57/39/344865739.db2.gz MNJMAPNJFCKINT-ZDUSSCGKSA-N 1 0 202.301 2.488 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@@H]1CCSC1 ZINC000119868429 344868891 /nfs/dbraw/zinc/86/88/91/344868891.db2.gz LULZCHBUZXKBST-SNVBAGLBSA-N 1 0 230.402 2.071 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000574512130 344880110 /nfs/dbraw/zinc/88/01/10/344880110.db2.gz JGCTVPIHSMDDOJ-ZDUSSCGKSA-N 1 0 229.327 2.016 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628172656 344892811 /nfs/dbraw/zinc/89/28/11/344892811.db2.gz PSUQBGALXWTZRA-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237784314 344901749 /nfs/dbraw/zinc/90/17/49/344901749.db2.gz MPECOAYKZRTFDS-UHFFFAOYSA-N 1 0 236.359 2.073 20 30 BEEDRO CC[NH+]1CCN(Cc2ccc(C#N)c(C)c2)CC1 ZINC000362967803 344902105 /nfs/dbraw/zinc/90/21/05/344902105.db2.gz UMYQOAVDOXSLFE-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000684212418 488278247 /nfs/dbraw/zinc/27/82/47/488278247.db2.gz GQMZZIZBHIRUPT-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO CN(Cc1ccccc1O)C[C@H](C#N)CCC#N ZINC000121151253 344914895 /nfs/dbraw/zinc/91/48/95/344914895.db2.gz VIKGMBPRDBXTEH-LBPRGKRZSA-N 1 0 243.310 2.268 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000235652751 344971100 /nfs/dbraw/zinc/97/11/00/344971100.db2.gz KNEAJOASTGPUES-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCOCC2(CC2)C1 ZINC000360090683 534982596 /nfs/dbraw/zinc/98/25/96/534982596.db2.gz YCVANTITOZBAQK-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H]1CCO ZINC000303741662 534983411 /nfs/dbraw/zinc/98/34/11/534983411.db2.gz KBROYPXDBHTHHR-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CC#CCC[N@H+]1CCc2c(cccc2OC)C1 ZINC000158072603 187297956 /nfs/dbraw/zinc/29/79/56/187297956.db2.gz JMYZDWUPYXJRDW-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO CN(C)c1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000123655467 345009429 /nfs/dbraw/zinc/00/94/29/345009429.db2.gz PNGMJBDNXKRDMR-UHFFFAOYSA-N 1 0 243.354 2.488 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000372472999 534982108 /nfs/dbraw/zinc/98/21/08/534982108.db2.gz OCEPYIUEAMUJOG-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000123903554 345021784 /nfs/dbraw/zinc/02/17/84/345021784.db2.gz FWLSDNKZUOQHFM-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@H](C)[NH3+] ZINC000238421496 345044039 /nfs/dbraw/zinc/04/40/39/345044039.db2.gz MDMJBVYPXBXNON-LBPRGKRZSA-N 1 0 204.317 2.022 20 30 BEEDRO C[N@H+](CCn1cccn1)CC(C)(C)CCC#N ZINC000125333091 345076032 /nfs/dbraw/zinc/07/60/32/345076032.db2.gz UONVQLUJNKKYLS-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO C=C[C@@H](C(=O)OC)N(C)C[C@H]1CC=CCC1 ZINC000402573080 345079247 /nfs/dbraw/zinc/07/92/47/345079247.db2.gz FNJGSLCWWJDWDH-RYUDHWBXSA-N 1 0 223.316 2.002 20 30 BEEDRO CC(C)(C#N)CCN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000367018754 534986532 /nfs/dbraw/zinc/98/65/32/534986532.db2.gz CCRYVVZSQFETDW-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000335584664 534988896 /nfs/dbraw/zinc/98/88/96/534988896.db2.gz XJEGASRMUPMGFJ-UWVGGRQHSA-N 1 0 210.346 2.116 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156585191 345178229 /nfs/dbraw/zinc/17/82/29/345178229.db2.gz QIPSUWFEAMLEGK-LBPRGKRZSA-N 1 0 246.354 2.443 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000334478148 534994517 /nfs/dbraw/zinc/99/45/17/534994517.db2.gz RBMNMASPGIVPGZ-BPCQOVAHSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1ccc(CO[NH+]=C(N)C(C)C)cc1 ZINC000133676229 345382726 /nfs/dbraw/zinc/38/27/26/345382726.db2.gz WDSKDSWFSIIXSE-UHFFFAOYSA-N 1 0 206.289 2.440 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CCOCC1)C(C)(C)C ZINC000381347207 345432938 /nfs/dbraw/zinc/43/29/38/345432938.db2.gz ZKSYLLVCRJUSRG-YPMHNXCESA-N 1 0 223.360 2.439 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000334534913 345437669 /nfs/dbraw/zinc/43/76/69/345437669.db2.gz GCDWZOHMAITIMC-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000354689418 534996294 /nfs/dbraw/zinc/99/62/94/534996294.db2.gz WNFVAMJIVYLCPD-CYBMUJFWSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@H]1CC[N@H+](CCCC#N)C[C@@H]1n1ccnc1 ZINC000136094419 345475433 /nfs/dbraw/zinc/47/54/33/345475433.db2.gz QGQGXFQNKHMABN-STQMWFEESA-N 1 0 232.331 2.070 20 30 BEEDRO CN(C)c1cccc(C[N@H+](C)CCCC#N)c1 ZINC000136121675 345478886 /nfs/dbraw/zinc/47/88/86/345478886.db2.gz UYBJANCFEBETHD-UHFFFAOYSA-N 1 0 231.343 2.488 20 30 BEEDRO C[N@H+](CCC(C)(C)O)Cc1ccc(C#N)cc1 ZINC000081648903 345483210 /nfs/dbraw/zinc/48/32/10/345483210.db2.gz HMXPIYMJBSRVLV-UHFFFAOYSA-N 1 0 232.327 2.151 20 30 BEEDRO C#CC[N@@H+](CCC(C)(C)O)Cc1ccc(F)cc1 ZINC000081668676 345484041 /nfs/dbraw/zinc/48/40/41/345484041.db2.gz XFMKHTYGLCMMOD-UHFFFAOYSA-N 1 0 249.329 2.422 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CC)[C@@H]1CCc2ccccc21 ZINC000081665721 345484329 /nfs/dbraw/zinc/48/43/29/345484329.db2.gz JNEZXMARZQTMPS-GOEBONIOSA-N 1 0 243.350 2.380 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCCO1 ZINC000393604506 345564504 /nfs/dbraw/zinc/56/45/04/345564504.db2.gz XRYNJWMMZXYESR-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000091515199 345596028 /nfs/dbraw/zinc/59/60/28/345596028.db2.gz VXUAJHXNCYCYQK-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cnccc2C#N)C1 ZINC000091733660 345604263 /nfs/dbraw/zinc/60/42/63/345604263.db2.gz VZLVGMFEMVUCIN-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(CF)[NH2+]Cc1ccc(C#N)cc1 ZINC000308990185 187307617 /nfs/dbraw/zinc/30/76/17/187307617.db2.gz KZCQQMDNNMAARJ-UHFFFAOYSA-N 1 0 206.264 2.396 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000082668557 345664667 /nfs/dbraw/zinc/66/46/67/345664667.db2.gz QUZOKPZSOZTFJB-MNOVXSKESA-N 1 0 217.316 2.477 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000092763099 345642381 /nfs/dbraw/zinc/64/23/81/345642381.db2.gz OBMLPOYEMHAYFG-AWEZNQCLSA-N 1 0 247.338 2.066 20 30 BEEDRO CCCC[N@H+](C)CCNc1cnccc1C#N ZINC000094158462 345681541 /nfs/dbraw/zinc/68/15/41/345681541.db2.gz DMPSYSPPKWOJBV-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C[N@H+](CCc1ccncc1)[C@@H]1CCC[C@H]1C#N ZINC000249974303 362659004 /nfs/dbraw/zinc/65/90/04/362659004.db2.gz JBUWEPFCBUPOBE-UONOGXRCSA-N 1 0 229.327 2.248 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000435740263 537908997 /nfs/dbraw/zinc/90/89/97/537908997.db2.gz JHEPBXBERLTKMX-GJZGRUSLSA-N 1 0 246.354 2.461 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000331299203 535007086 /nfs/dbraw/zinc/00/70/86/535007086.db2.gz BDHNGIRZLLBGAP-JOCQHMNTSA-N 1 0 238.375 2.457 20 30 BEEDRO COCC1CCC([NH2+]CCCC#N)CC1 ZINC000449236129 201844510 /nfs/dbraw/zinc/84/45/10/201844510.db2.gz XDWZVJROICSMHB-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO CC#CCCN1CCOc2cc(F)ccc2C1 ZINC000626153794 345844629 /nfs/dbraw/zinc/84/46/29/345844629.db2.gz VFWOJXDUJAVLQG-UHFFFAOYSA-N 1 0 233.286 2.434 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000588967090 345836329 /nfs/dbraw/zinc/83/63/29/345836329.db2.gz MZTAFAMOROAXPM-WCQYABFASA-N 1 0 224.348 2.019 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309504115 347088377 /nfs/dbraw/zinc/08/83/77/347088377.db2.gz ALCGWWZKNURIRP-MROQNXINSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000620864678 345871805 /nfs/dbraw/zinc/87/18/05/345871805.db2.gz KINCUMHMCPNTNQ-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CCCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000400911692 345900599 /nfs/dbraw/zinc/90/05/99/345900599.db2.gz DZKGZUCJGNNBGC-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)nc1C)C(C)C ZINC000289596308 345953971 /nfs/dbraw/zinc/95/39/71/345953971.db2.gz UZPAJGGNYFKCTE-GFCCVEGCSA-N 1 0 220.291 2.277 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000601105619 346061260 /nfs/dbraw/zinc/06/12/60/346061260.db2.gz JIIXKZLMBCHDOY-UHFFFAOYSA-N 1 0 246.358 2.467 20 30 BEEDRO C=CCCCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635872136 346093590 /nfs/dbraw/zinc/09/35/90/346093590.db2.gz LNYOLHFQEGGHKO-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635986718 346139527 /nfs/dbraw/zinc/13/95/27/346139527.db2.gz RQDWHIPOLIQCCG-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000574903607 346218671 /nfs/dbraw/zinc/21/86/71/346218671.db2.gz VSINDZRXMAYOSB-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@]1(C)CCCS1 ZINC000628251803 346222750 /nfs/dbraw/zinc/22/27/50/346222750.db2.gz WOXVPRXVKJNQGE-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449428501 201917206 /nfs/dbraw/zinc/91/72/06/201917206.db2.gz RMWZYGOZCXGLTO-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO CCCC[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167447752 346247961 /nfs/dbraw/zinc/24/79/61/346247961.db2.gz YHXKOLYXSZXRKY-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(SCC)c1 ZINC000289683910 346260412 /nfs/dbraw/zinc/26/04/12/346260412.db2.gz COGRLWRFFRLOQB-LBPRGKRZSA-N 1 0 237.368 2.435 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC000628258378 346258632 /nfs/dbraw/zinc/25/86/32/346258632.db2.gz BPDCNBWVFSQVSJ-DGCLKSJQSA-N 1 0 236.315 2.054 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)C1CCSCC1 ZINC000192719953 365809319 /nfs/dbraw/zinc/80/93/19/365809319.db2.gz PVHHIKHQVYLLBQ-ZJUUUORDSA-N 1 0 212.362 2.267 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641760476 362692499 /nfs/dbraw/zinc/69/24/99/362692499.db2.gz RUIHPZINKLXCSQ-UHFFFAOYSA-N 1 0 231.299 2.324 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(O)COC ZINC000381544333 346315604 /nfs/dbraw/zinc/31/56/04/346315604.db2.gz JLAOJXBBWRDCPR-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000161645379 346354033 /nfs/dbraw/zinc/35/40/33/346354033.db2.gz SCHNIHDPSLUTMY-UWVGGRQHSA-N 1 0 207.321 2.344 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC#CC)C1 ZINC000641766718 362699165 /nfs/dbraw/zinc/69/91/65/362699165.db2.gz AVTRJLDUWKHMIQ-MCIONIFRSA-N 1 0 221.344 2.095 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636230493 346362623 /nfs/dbraw/zinc/36/26/23/346362623.db2.gz CRGJRTNHVIAYOV-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000641767769 362702214 /nfs/dbraw/zinc/70/22/14/362702214.db2.gz QSFAJCRYTDCMLC-OLZOCXBDSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000641767755 362702386 /nfs/dbraw/zinc/70/23/86/362702386.db2.gz QHLJJIBEEWJWKZ-XVWMLYKFSA-N 1 0 247.313 2.203 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000641767897 362702541 /nfs/dbraw/zinc/70/25/41/362702541.db2.gz SBOSLUBAWNUNQT-JHJVBQTASA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000641767596 362702744 /nfs/dbraw/zinc/70/27/44/362702744.db2.gz MFGNZJDDQQOWPA-JYJNAYRXSA-N 1 0 243.350 2.154 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](CC)C1 ZINC000641769712 362703659 /nfs/dbraw/zinc/70/36/59/362703659.db2.gz YLFQTYXSGVVRFR-MELADBBJSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000641769713 362704106 /nfs/dbraw/zinc/70/41/06/362704106.db2.gz YLFQTYXSGVVRFR-MGPQQGTHSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000281976188 346372792 /nfs/dbraw/zinc/37/27/92/346372792.db2.gz BRZOICIGFWEUPS-GXSJLCMTSA-N 1 0 207.321 2.344 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000289801003 346373168 /nfs/dbraw/zinc/37/31/68/346373168.db2.gz KXZZHVHMBBMTPV-CQSZACIVSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC(C)(C)c1ccccc1 ZINC000641773492 362712814 /nfs/dbraw/zinc/71/28/14/362712814.db2.gz IMGQGYGMWQUMDT-CYBMUJFWSA-N 1 0 219.328 2.101 20 30 BEEDRO Cc1ccc(CC[NH2+]Cc2cc(C#N)n(C)c2)o1 ZINC000574973647 346474913 /nfs/dbraw/zinc/47/49/13/346474913.db2.gz MZCKAXDILXSHDG-UHFFFAOYSA-N 1 0 243.310 2.131 20 30 BEEDRO C=C[C@H](CC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000580079126 346512768 /nfs/dbraw/zinc/51/27/68/346512768.db2.gz SYSNKJFVSYICKE-QWHCGFSZSA-N 1 0 246.354 2.152 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000603437104 349968478 /nfs/dbraw/zinc/96/84/78/349968478.db2.gz IBKSCYPAFVREFG-RXNFCKPNSA-N 1 0 224.348 2.233 20 30 BEEDRO COC[C@H](C)CN(CC#N)C1CCCC1 ZINC000187346755 346570602 /nfs/dbraw/zinc/57/06/02/346570602.db2.gz VGLLWMGROQUMBL-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(C#N)ccn1 ZINC000587979776 346609484 /nfs/dbraw/zinc/60/94/84/346609484.db2.gz JOXVGXKSRLXOGV-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO CN(C)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000588231471 346650234 /nfs/dbraw/zinc/65/02/34/346650234.db2.gz SAKSLCCXDBMSGI-OAHLLOKOSA-N 1 0 243.354 2.087 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000336661519 166243331 /nfs/dbraw/zinc/24/33/31/166243331.db2.gz BXVAWGYWGRDLKY-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)noc1C)C(C)(C)C ZINC000390558418 259393533 /nfs/dbraw/zinc/39/35/33/259393533.db2.gz RGDQHUGYIZWQKK-GFCCVEGCSA-N 1 0 220.316 2.429 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000345350569 365859020 /nfs/dbraw/zinc/85/90/20/365859020.db2.gz HWKATLQFBXQOJK-RYUDHWBXSA-N 1 0 235.331 2.071 20 30 BEEDRO CC[C@]1([NH2+]Cc2cccc(F)c2C#N)CCOC1 ZINC000589992511 346760414 /nfs/dbraw/zinc/76/04/14/346760414.db2.gz CMMFYQKLFAXEHQ-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000168217761 346730976 /nfs/dbraw/zinc/73/09/76/346730976.db2.gz GSCNQJAKLVXPHU-GHMZBOCLSA-N 1 0 224.348 2.065 20 30 BEEDRO CO[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CC[C@@H]1C ZINC000589822206 346739714 /nfs/dbraw/zinc/73/97/14/346739714.db2.gz KRAGXVKGGQYQLD-RWMBFGLXSA-N 1 0 224.348 2.283 20 30 BEEDRO C#CC[NH2+]C(C)(C)c1ccc(F)c(F)c1 ZINC000180875833 346750320 /nfs/dbraw/zinc/75/03/20/346750320.db2.gz GODOSDHSCGVERY-UHFFFAOYSA-N 1 0 209.239 2.423 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309580114 347106288 /nfs/dbraw/zinc/10/62/88/347106288.db2.gz QARUWGIJTHFUSA-WXHSDQCUSA-N 1 0 217.316 2.066 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC000590169330 346786998 /nfs/dbraw/zinc/78/69/98/346786998.db2.gz QFYOPEBHHIBSOT-CHWSQXEVSA-N 1 0 234.343 2.181 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC000590169331 346787319 /nfs/dbraw/zinc/78/73/19/346787319.db2.gz QFYOPEBHHIBSOT-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)[C@H](C)CC ZINC000183056726 347117453 /nfs/dbraw/zinc/11/74/53/347117453.db2.gz VWNBOUMJKXVTTP-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000387960979 347135584 /nfs/dbraw/zinc/13/55/84/347135584.db2.gz YWHMGJOYXKQXFV-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1ccncc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309699147 347135615 /nfs/dbraw/zinc/13/56/15/347135615.db2.gz MAPROUHXFIFDGE-WCQYABFASA-N 1 0 215.300 2.172 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(C)c1 ZINC000309724124 347148760 /nfs/dbraw/zinc/14/87/60/347148760.db2.gz XDTHYNHEXHOQSG-AWEZNQCLSA-N 1 0 219.328 2.269 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000309736423 347152091 /nfs/dbraw/zinc/15/20/91/347152091.db2.gz GPDJTVUXHNOIBL-LPEHRKFASA-N 1 0 239.281 2.490 20 30 BEEDRO C=CCCCC[NH2+]CC1(OC)CCOCC1 ZINC000309988004 347212260 /nfs/dbraw/zinc/21/22/60/347212260.db2.gz ZHCIBWIUAJEGLR-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491786760 347196806 /nfs/dbraw/zinc/19/68/06/347196806.db2.gz WMVDYSZEANGEGX-QWHCGFSZSA-N 1 0 242.322 2.431 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000185757076 347213161 /nfs/dbraw/zinc/21/31/61/347213161.db2.gz AAZGCOIJDHZZIQ-CFVMTHIKSA-N 1 0 244.338 2.392 20 30 BEEDRO N#CCCN1CC[NH+](C2CCC3(CC3)CC2)CC1 ZINC000601315676 347198489 /nfs/dbraw/zinc/19/84/89/347198489.db2.gz CHFAGGLVYZLPNW-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309989907 347210043 /nfs/dbraw/zinc/21/00/43/347210043.db2.gz ZTXRQOADVPTXHY-SRVKXCTJSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363921651 347183915 /nfs/dbraw/zinc/18/39/15/347183915.db2.gz LOWHMCWZSJYRKV-GFCCVEGCSA-N 1 0 205.305 2.051 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363921653 347184335 /nfs/dbraw/zinc/18/43/35/347184335.db2.gz LOWHMCWZSJYRKV-LBPRGKRZSA-N 1 0 205.305 2.051 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000601306311 347184816 /nfs/dbraw/zinc/18/48/16/347184816.db2.gz GCDYCCOVCRMBNF-JQCXWYLXSA-N 1 0 218.222 2.219 20 30 BEEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1F ZINC000092631205 347214594 /nfs/dbraw/zinc/21/45/94/347214594.db2.gz YBUXHQNZQDOQNG-LBPRGKRZSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000310039367 347222479 /nfs/dbraw/zinc/22/24/79/347222479.db2.gz WYROPMIKKUOWMR-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)N(C)CCC#N ZINC000189343561 347301162 /nfs/dbraw/zinc/30/11/62/347301162.db2.gz DZCAJNVVTVPUHH-LLVKDONJSA-N 1 0 213.284 2.465 20 30 BEEDRO CC[NH+](CC)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019846688 347296636 /nfs/dbraw/zinc/29/66/36/347296636.db2.gz JHLAIKMJRHZEJM-LLVKDONJSA-N 1 0 245.326 2.227 20 30 BEEDRO CC[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)OC ZINC000419211420 192105223 /nfs/dbraw/zinc/10/52/23/192105223.db2.gz ZPAPRPUNTNPCCS-CQSZACIVSA-N 1 0 232.327 2.415 20 30 BEEDRO C=CCSCC[NH2+]Cc1cccn1C ZINC000119083675 347260256 /nfs/dbraw/zinc/26/02/56/347260256.db2.gz MGKZGYYBPCZYKF-UHFFFAOYSA-N 1 0 210.346 2.034 20 30 BEEDRO N#CC1(CNC2CC[NH+](CC3CC3)CC2)CCC1 ZINC000581180732 347265499 /nfs/dbraw/zinc/26/54/99/347265499.db2.gz CKDIIFXXPXJPDC-UHFFFAOYSA-N 1 0 247.386 2.144 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000301027128 347329685 /nfs/dbraw/zinc/32/96/85/347329685.db2.gz PVDCMIRRAGZVKJ-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO CCOC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000336776269 136732597 /nfs/dbraw/zinc/73/25/97/136732597.db2.gz FHZGJTGJJYYMQK-PNESKVBLSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[N@@H+](Cc1cc(C#N)n(C)c1)CC(C)C ZINC000191231019 347346280 /nfs/dbraw/zinc/34/62/80/347346280.db2.gz WNNCKPGZHGWNFP-UHFFFAOYSA-N 1 0 219.332 2.375 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000192869697 347386319 /nfs/dbraw/zinc/38/63/19/347386319.db2.gz QEUXPXIMVUADJB-CFVMTHIKSA-N 1 0 244.338 2.392 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCCCCO)cc1C ZINC000193019899 347388518 /nfs/dbraw/zinc/38/85/18/347388518.db2.gz ZZKHIIOYLUHVPD-UHFFFAOYSA-N 1 0 249.358 2.193 20 30 BEEDRO Cc1cc(C[C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000193029447 347388760 /nfs/dbraw/zinc/38/87/60/347388760.db2.gz WGAJRCKXKADZPH-WCFLWFBJSA-N 1 0 246.358 2.321 20 30 BEEDRO C=CCCOCC[NH2+]Cc1occc1C ZINC000120832008 347420074 /nfs/dbraw/zinc/42/00/74/347420074.db2.gz YONBGUJUKOLIIV-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO CC[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CCC1 ZINC000590645625 347484668 /nfs/dbraw/zinc/48/46/68/347484668.db2.gz LXRSHZGXZBWSJB-CQSZACIVSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)C[C@H](C)O1 ZINC000590649680 347485768 /nfs/dbraw/zinc/48/57/68/347485768.db2.gz OMCUAXSWYZRRNO-URLYPYJESA-N 1 0 210.321 2.082 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1CCCC[C@@H]1O ZINC000590602096 347475910 /nfs/dbraw/zinc/47/59/10/347475910.db2.gz FLOVEFMAGDAIRG-KBPBESRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CC1([NH2+]Cc2cccc(F)c2C#N)CCOCC1 ZINC000590595291 347478777 /nfs/dbraw/zinc/47/87/77/347478777.db2.gz ZRHKIXJKPREVEO-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000590600210 347480204 /nfs/dbraw/zinc/48/02/04/347480204.db2.gz MOYLKUSOQZYEFH-UHFFFAOYSA-N 1 0 232.331 2.098 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CCCC#N)C12CCC2 ZINC000336777051 347514212 /nfs/dbraw/zinc/51/42/12/347514212.db2.gz HKSDCMGMPATIFP-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](N)C1 ZINC000302323711 347516548 /nfs/dbraw/zinc/51/65/48/347516548.db2.gz FFSDORSFURIWCT-LSDHHAIUSA-N 1 0 230.355 2.379 20 30 BEEDRO C[C@H]1CCC(C)(C)[N@@H+]1CCOCCC#N ZINC000590764453 347529100 /nfs/dbraw/zinc/52/91/00/347529100.db2.gz CQPIPTHIJBFUSV-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO N#CC1(C[NH+]2CCC3(CCOCC3)CC2)CC1 ZINC000334244102 347558729 /nfs/dbraw/zinc/55/87/29/347558729.db2.gz ZFJGDJKWUWUFGR-UHFFFAOYSA-N 1 0 234.343 2.183 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)CCC#N ZINC000591011275 347605600 /nfs/dbraw/zinc/60/56/00/347605600.db2.gz NUNMCSJVWLMMQG-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616995064 347572226 /nfs/dbraw/zinc/57/22/26/347572226.db2.gz KGHVSRNBLNCAAB-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000590970505 347597404 /nfs/dbraw/zinc/59/74/04/347597404.db2.gz ZZZNYIZBIXLLPQ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000590972155 347598030 /nfs/dbraw/zinc/59/80/30/347598030.db2.gz LSWMSHMLKHQIPN-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972193 347598654 /nfs/dbraw/zinc/59/86/54/347598654.db2.gz UACIEMZTFBTDCL-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000419231468 192107476 /nfs/dbraw/zinc/10/74/76/192107476.db2.gz RWCUFCYXENOCGK-LBPRGKRZSA-N 1 0 232.327 2.015 20 30 BEEDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)CCC#N ZINC000591011278 347605366 /nfs/dbraw/zinc/60/53/66/347605366.db2.gz NUNMCSJVWLMMQG-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000591243326 347633681 /nfs/dbraw/zinc/63/36/81/347633681.db2.gz LDTOXZSJMBZDSE-VIFPVBQESA-N 1 0 220.320 2.309 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590166123 347609073 /nfs/dbraw/zinc/60/90/73/347609073.db2.gz QEAQLEVQPIWNSP-MCIONIFRSA-N 1 0 235.375 2.141 20 30 BEEDRO N#CC1CC[NH+](CCOCC2CCC2)CC1 ZINC000419185094 192108293 /nfs/dbraw/zinc/10/82/93/192108293.db2.gz GREPEDSAGCDQJH-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570987 347675949 /nfs/dbraw/zinc/67/59/49/347675949.db2.gz PRZDRGOBEHITAW-SLEUVZQESA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(C#N)cc1F ZINC000591577257 347676965 /nfs/dbraw/zinc/67/69/65/347676965.db2.gz IQQSDQARQCZZBE-SNVBAGLBSA-N 1 0 247.317 2.100 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC000591639708 347681648 /nfs/dbraw/zinc/68/16/48/347681648.db2.gz CARYBTAOWPHXEK-MNOVXSKESA-N 1 0 240.310 2.345 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CCC1 ZINC000591757413 347691138 /nfs/dbraw/zinc/69/11/38/347691138.db2.gz ZSTZVUYJNRPXAZ-MNOVXSKESA-N 1 0 205.305 2.208 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1C ZINC000590758255 347691500 /nfs/dbraw/zinc/69/15/00/347691500.db2.gz FIGYMPZNYDVTGW-CABCVRRESA-N 1 0 242.322 2.300 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000590758163 347691530 /nfs/dbraw/zinc/69/15/30/347691530.db2.gz QJQQGXZQDHSQSU-FRRDWIJNSA-N 1 0 237.343 2.110 20 30 BEEDRO N#CCC[NH2+]CCc1nc2c(s1)CCCC2 ZINC000591758027 347692121 /nfs/dbraw/zinc/69/21/21/347692121.db2.gz NAICMJHBPKCRGR-UHFFFAOYSA-N 1 0 235.356 2.068 20 30 BEEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759393 347692192 /nfs/dbraw/zinc/69/21/92/347692192.db2.gz LSJCZBQMZDRXDE-JSGCOSHPSA-N 1 0 246.354 2.290 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000591761317 347692764 /nfs/dbraw/zinc/69/27/64/347692764.db2.gz LWJJXPQASWQLHB-QPPOZKHWSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CCCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000591734470 347694059 /nfs/dbraw/zinc/69/40/59/347694059.db2.gz BDEHOBGRXYRXTB-CYBMUJFWSA-N 1 0 224.348 2.211 20 30 BEEDRO Cc1ccccc1OCCC[NH2+]CCC#N ZINC000591734464 347694230 /nfs/dbraw/zinc/69/42/30/347694230.db2.gz ACCGBFOZMMKMLE-UHFFFAOYSA-N 1 0 218.300 2.267 20 30 BEEDRO CC1(C)CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000591845647 347706237 /nfs/dbraw/zinc/70/62/37/347706237.db2.gz FDHGMAFAFWIZOU-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000577278109 365914855 /nfs/dbraw/zinc/91/48/55/365914855.db2.gz PYRHANHJRNGYEZ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000592366633 347775050 /nfs/dbraw/zinc/77/50/50/347775050.db2.gz FWAORIAVNZXFQZ-IKWCTNDRSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000592395991 347776558 /nfs/dbraw/zinc/77/65/58/347776558.db2.gz DKEWMLUJFXEXIT-XDQVBPFNSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000592398222 347776821 /nfs/dbraw/zinc/77/68/21/347776821.db2.gz RSBSGLOYSGYIOJ-QNWHQSFQSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000592395990 347776880 /nfs/dbraw/zinc/77/68/80/347776880.db2.gz DKEWMLUJFXEXIT-RFQIPJPRSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)[C@@H]1C ZINC000592071835 347728155 /nfs/dbraw/zinc/72/81/55/347728155.db2.gz SFUFSYLHYWBDND-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccncc3C#N)C[C@@H]21 ZINC000592072039 347728386 /nfs/dbraw/zinc/72/83/86/347728386.db2.gz GESRNBDZPMTQHI-BETUJISGSA-N 1 0 227.311 2.041 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072488 347728573 /nfs/dbraw/zinc/72/85/73/347728573.db2.gz NDOARRFFXMFTGB-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCCCOc1ccccc1 ZINC000343604824 133695095 /nfs/dbraw/zinc/69/50/95/133695095.db2.gz NULQGTWUECMTRW-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000592088812 347730823 /nfs/dbraw/zinc/73/08/23/347730823.db2.gz MKIMSQFHSNNCDF-ZDUSSCGKSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1C ZINC000592090441 347731827 /nfs/dbraw/zinc/73/18/27/347731827.db2.gz SXWMMFZQCDUOTR-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCCO1 ZINC000592098989 347733124 /nfs/dbraw/zinc/73/31/24/347733124.db2.gz ITPRTQRVMDILQU-KGLIPLIRSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592114856 347736102 /nfs/dbraw/zinc/73/61/02/347736102.db2.gz YXZKASGLNPYTLX-GXFFZTMASA-N 1 0 215.300 2.231 20 30 BEEDRO CCC[C@@]1([NH2+]Cc2ccncc2C#N)CCOC1 ZINC000592123472 347737547 /nfs/dbraw/zinc/73/75/47/347737547.db2.gz VDLGPTQFOKZGSB-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccncc2C#N)C[C@H]1C ZINC000592125107 347738495 /nfs/dbraw/zinc/73/84/95/347738495.db2.gz PSDKTTWVLLWEJG-IJLUTSLNSA-N 1 0 229.327 2.430 20 30 BEEDRO C[C@H](c1ccccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148564 347740561 /nfs/dbraw/zinc/74/05/61/347740561.db2.gz ZSHBQZSZNRHPGG-RISCZKNCSA-N 1 0 248.301 2.237 20 30 BEEDRO N#CC[C@]1(O)CC[N@H+](CC2CCCCCC2)C1 ZINC000592151068 347742610 /nfs/dbraw/zinc/74/26/10/347742610.db2.gz KCWAGBKBVCWHRM-AWEZNQCLSA-N 1 0 236.359 2.307 20 30 BEEDRO CCC(C)(C)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151100 347742616 /nfs/dbraw/zinc/74/26/16/347742616.db2.gz LWUCZCJFODFKBG-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO N#CC[C@]1(O)CC[N@@H+]([C@@H]2C=CCCCCC2)C1 ZINC000592152870 347743592 /nfs/dbraw/zinc/74/35/92/347743592.db2.gz FXRRUGQIKJCYOZ-KGLIPLIRSA-N 1 0 234.343 2.226 20 30 BEEDRO N#CC1(C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000592510644 347792624 /nfs/dbraw/zinc/79/26/24/347792624.db2.gz OVNQAFCSQWELND-UHFFFAOYSA-N 1 0 214.259 2.458 20 30 BEEDRO N#CCC[C@H](C#N)C[N@@H+]1CCC12CCCC2 ZINC000592999954 347839746 /nfs/dbraw/zinc/83/97/46/347839746.db2.gz HQIGBNNQOSTEBQ-GFCCVEGCSA-N 1 0 217.316 2.448 20 30 BEEDRO CC[C@@H]1CN(CC2(C#N)CC2)[C@H](CC)CO1 ZINC000593058061 347848199 /nfs/dbraw/zinc/84/81/99/347848199.db2.gz ILXLVEBACLIBIL-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)C[N@H+](C)CCCNCc1ccc(C#N)o1 ZINC000593647294 347926224 /nfs/dbraw/zinc/92/62/24/347926224.db2.gz WWUDMAUIURUGDZ-UHFFFAOYSA-N 1 0 249.358 2.219 20 30 BEEDRO Cc1ncsc1CC[NH2+]C[C@H](C#N)CCC#N ZINC000577386557 365941744 /nfs/dbraw/zinc/94/17/44/365941744.db2.gz PXPYLADPQBTDNZ-NSHDSACASA-N 1 0 248.355 2.027 20 30 BEEDRO C[C@H](CCO)[N@H+](C)CC(C)(C)CCC#N ZINC000593694425 347929277 /nfs/dbraw/zinc/92/92/77/347929277.db2.gz MHHZHYQCVZHNBW-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)o1 ZINC000593697032 347929699 /nfs/dbraw/zinc/92/96/99/347929699.db2.gz JSQCPCXHBANJEV-LLVKDONJSA-N 1 0 238.237 2.382 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](CC(C)C)OC ZINC000419271912 192110578 /nfs/dbraw/zinc/11/05/78/192110578.db2.gz AKLZHWGFUJPVFZ-MCIONIFRSA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000593595591 347915609 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N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)nc1 ZINC000593968351 347974114 /nfs/dbraw/zinc/97/41/14/347974114.db2.gz CFRMHIPMVFRWLK-SNVBAGLBSA-N 1 0 237.253 2.040 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593980143 347986460 /nfs/dbraw/zinc/98/64/60/347986460.db2.gz MAHCGHMPZJPZLT-CQSZACIVSA-N 1 0 227.311 2.494 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C#N)cn2)C[C@H]1C ZINC000594012938 347989014 /nfs/dbraw/zinc/98/90/14/347989014.db2.gz QJLVHKPOEXDGFD-IJLUTSLNSA-N 1 0 229.327 2.430 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC23CCCC3)nc1 ZINC000594015367 347989798 /nfs/dbraw/zinc/98/97/98/347989798.db2.gz KXIURZSRPDQYRV-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO CCC(C)(C)[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000594021602 347991434 /nfs/dbraw/zinc/99/14/34/347991434.db2.gz WRPXCTVOXKZJBH-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCCO1 ZINC000594041030 347995047 /nfs/dbraw/zinc/99/50/47/347995047.db2.gz IUEOMQOHFUSPEE-NEPJUHHUSA-N 1 0 222.332 2.227 20 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249.289 2.175 20 30 BEEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594426643 348052948 /nfs/dbraw/zinc/05/29/48/348052948.db2.gz QEVMCHPVGABTFC-CYBMUJFWSA-N 1 0 245.326 2.061 20 30 BEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccsc1 ZINC000594444446 348055652 /nfs/dbraw/zinc/05/56/52/348055652.db2.gz MHJZNVCIRCKJMS-SNVBAGLBSA-N 1 0 237.328 2.098 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)o2)CC=CC1 ZINC000594512024 348060897 /nfs/dbraw/zinc/06/08/97/348060897.db2.gz SUGNTGXUSNIYNX-UHFFFAOYSA-N 1 0 202.257 2.350 20 30 BEEDRO COCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000594512719 348061219 /nfs/dbraw/zinc/06/12/19/348061219.db2.gz WLOANZAUMCZAJL-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000594514538 348061782 /nfs/dbraw/zinc/06/17/82/348061782.db2.gz KQRIMVZYZVISJQ-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1noc2ccccc21 ZINC000594708539 348103437 /nfs/dbraw/zinc/10/34/37/348103437.db2.gz AOSQNUSTYZRJDY-SNVBAGLBSA-N 1 0 229.283 2.262 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1cnccn1 ZINC000594714355 348104702 /nfs/dbraw/zinc/10/47/02/348104702.db2.gz XXULUCYCTBAAEW-LLVKDONJSA-N 1 0 237.372 2.437 20 30 BEEDRO C[C@@]1(CC[NH2+]C[C@@H](C#N)CCC#N)CC1(F)F ZINC000594726464 348108350 /nfs/dbraw/zinc/10/83/50/348108350.db2.gz MBUPBMLWHCSMNF-GHMZBOCLSA-N 1 0 241.285 2.455 20 30 BEEDRO C[C@@H]1C[NH2+]C[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594738517 348110292 /nfs/dbraw/zinc/11/02/92/348110292.db2.gz FYPYIWPCUAQGPF-STQMWFEESA-N 1 0 235.375 2.048 20 30 BEEDRO CC(C)C[C@@H]([NH3+])CNCC1(C#N)CCCCC1 ZINC000594739383 348110338 /nfs/dbraw/zinc/11/03/38/348110338.db2.gz PDBOQMDHYJEGLM-CYBMUJFWSA-N 1 0 237.391 2.423 20 30 BEEDRO C=CCOCCNc1cc[nH+]c(C)c1Cl ZINC000389582979 537997707 /nfs/dbraw/zinc/99/77/07/537997707.db2.gz HXHNTSWGZSNNHN-UHFFFAOYSA-N 1 0 226.707 2.080 20 30 BEEDRO C[C@H](CC[NH+](C)C)Nc1cc(F)ccc1C#N ZINC001639374951 1172100525 /nfs/dbraw/zinc/10/05/25/1172100525.db2.gz CDTRKTXIBZSWJR-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO CCC[C@H]([NH3+])c1cn(CC2(C#N)CCCC2)nn1 ZINC000594655750 348092684 /nfs/dbraw/zinc/09/26/84/348092684.db2.gz KBJMZTHYKWCTLJ-NSHDSACASA-N 1 0 247.346 2.162 20 30 BEEDRO CC[C@H]([NH3+])c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594658723 348093342 /nfs/dbraw/zinc/09/33/42/348093342.db2.gz ZDFOXVBDVQHKGL-NSHDSACASA-N 1 0 247.346 2.162 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594938943 348142483 /nfs/dbraw/zinc/14/24/83/348142483.db2.gz XQDGWHCKVRNVFE-WRWGMCAJSA-N 1 0 225.332 2.128 20 30 BEEDRO CO[C@H](C)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594940916 348143015 /nfs/dbraw/zinc/14/30/15/348143015.db2.gz VQEYJYDVLDRPSB-GFCCVEGCSA-N 1 0 244.338 2.366 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000594955025 348148430 /nfs/dbraw/zinc/14/84/30/348148430.db2.gz KSUPNRVKAIBBBD-LLVKDONJSA-N 1 0 214.312 2.489 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CO1 ZINC000594953598 348148606 /nfs/dbraw/zinc/14/86/06/348148606.db2.gz IOWKVXOUPAKEOY-CYDGBPFRSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cnc2n1CCC2 ZINC000594955722 348149021 /nfs/dbraw/zinc/14/90/21/348149021.db2.gz RERONQZTHAQYDL-UHFFFAOYSA-N 1 0 246.358 2.249 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000594956491 348149515 /nfs/dbraw/zinc/14/95/15/348149515.db2.gz KFYPRJWJQFTFPT-NSHDSACASA-N 1 0 247.342 2.114 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000594956488 348149715 /nfs/dbraw/zinc/14/97/15/348149715.db2.gz KFYPRJWJQFTFPT-LLVKDONJSA-N 1 0 247.342 2.114 20 30 BEEDRO C=CCCSCC[NH2+]Cc1c[nH]nc1C ZINC000594959745 348150246 /nfs/dbraw/zinc/15/02/46/348150246.db2.gz BJJXBPMIHZIEOR-UHFFFAOYSA-N 1 0 225.361 2.117 20 30 BEEDRO C[C@@H](O)CC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924863 348156755 /nfs/dbraw/zinc/15/67/55/348156755.db2.gz OEUKTHFKFUSTAA-GFCCVEGCSA-N 1 0 244.338 2.102 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000594966819 348160562 /nfs/dbraw/zinc/16/05/62/348160562.db2.gz AVOURRDIATVMFI-GRYCIOLGSA-N 1 0 225.332 2.130 20 30 BEEDRO C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981667 348164190 /nfs/dbraw/zinc/16/41/90/348164190.db2.gz SMZBTHQDSWPDEH-STQMWFEESA-N 1 0 235.375 2.000 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CO1 ZINC000594982010 348164881 /nfs/dbraw/zinc/16/48/81/348164881.db2.gz WTPLFSZWAJFLGK-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CC1(F)F ZINC000594985289 348165699 /nfs/dbraw/zinc/16/56/99/348165699.db2.gz KODQDOCHNVJSLH-JTQLQIEISA-N 1 0 226.226 2.286 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000594990464 348166930 /nfs/dbraw/zinc/16/69/30/348166930.db2.gz YZYRXZKUHVKIPX-VXGBXAGGSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CSCCF ZINC000595044971 348179356 /nfs/dbraw/zinc/17/93/56/348179356.db2.gz PVLUIHMEHMYNEG-WOPDTQHZSA-N 1 0 247.379 2.258 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[S@@](C)=O ZINC000595034494 348175625 /nfs/dbraw/zinc/17/56/25/348175625.db2.gz WCSJFSCDRBGPBM-RSUWNVLCSA-N 1 0 243.416 2.478 20 30 BEEDRO CC[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595297276 348215844 /nfs/dbraw/zinc/21/58/44/348215844.db2.gz LEGNYRKDGGEEHL-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO CC1(C)COCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595295295 348216230 /nfs/dbraw/zinc/21/62/30/348216230.db2.gz XJHWDUMXRTZMJX-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@H]1CCCO1 ZINC000595298841 348217644 /nfs/dbraw/zinc/21/76/44/348217644.db2.gz TWWGMDJMNZKCAA-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@H](C#N)CN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595300427 348217904 /nfs/dbraw/zinc/21/79/04/348217904.db2.gz CGZOXFIMYGLKDH-HZSPNIEDSA-N 1 0 237.391 2.056 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000595057895 348183000 /nfs/dbraw/zinc/18/30/00/348183000.db2.gz YHNUJYZMPXJWTG-SWLSCSKDSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000595057894 348183218 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ZINC000598621851 349003033 /nfs/dbraw/zinc/00/30/33/349003033.db2.gz ONWAIGDHWGBHDS-LBPRGKRZSA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000598597560 348999763 /nfs/dbraw/zinc/99/97/63/348999763.db2.gz YRJSFEOPTXMOTL-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CCCC1 ZINC000598610919 348999867 /nfs/dbraw/zinc/99/98/67/348999867.db2.gz FQKOELGYZHEEHM-WCQYABFASA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598611488 348999961 /nfs/dbraw/zinc/99/99/61/348999961.db2.gz RUHLLHQLGVDHOR-UTUOFQBUSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598613041 349000867 /nfs/dbraw/zinc/00/08/67/349000867.db2.gz VGBUVIFNZZJVMB-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C(C)C ZINC000598622698 349003431 /nfs/dbraw/zinc/00/34/31/349003431.db2.gz NCAFBEJWDQCGER-GFCCVEGCSA-N 1 0 226.364 2.408 20 30 BEEDRO CC(C)CC1([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598629000 349004802 /nfs/dbraw/zinc/00/48/02/349004802.db2.gz WWPBHVFFZUOUFQ-LBPRGKRZSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000598601959 349006084 /nfs/dbraw/zinc/00/60/84/349006084.db2.gz XZJBVOZWDACCKO-STQMWFEESA-N 1 0 236.359 2.019 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000598609898 349007261 /nfs/dbraw/zinc/00/72/61/349007261.db2.gz ZONRJHCNOCFBIS-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000308879599 349016487 /nfs/dbraw/zinc/01/64/87/349016487.db2.gz PIDOGYJTMCTZMD-UTLUCORTSA-N 1 0 214.259 2.456 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000308879595 349016896 /nfs/dbraw/zinc/01/68/96/349016896.db2.gz PIDOGYJTMCTZMD-KXUCPTDWSA-N 1 0 214.259 2.456 20 30 BEEDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccccc1C#N ZINC000598679852 349021767 /nfs/dbraw/zinc/02/17/67/349021767.db2.gz OCNBAVDJYRZEJL-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO CCC[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598704433 349022847 /nfs/dbraw/zinc/02/28/47/349022847.db2.gz PCTGIYFOOZELBI-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC1CCC1 ZINC000598705732 349023159 /nfs/dbraw/zinc/02/31/59/349023159.db2.gz MVBYWEDWCPETNW-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO CSCCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719340 349027055 /nfs/dbraw/zinc/02/70/55/349027055.db2.gz JJIRLUGOEGQFAL-NSHDSACASA-N 1 0 244.404 2.020 20 30 BEEDRO CCC(CC)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721746 349028301 /nfs/dbraw/zinc/02/83/01/349028301.db2.gz ZAHFZRAJANIZPF-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000598722961 349028589 /nfs/dbraw/zinc/02/85/89/349028589.db2.gz FBTZCLZDEZGVIB-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725177 349029277 /nfs/dbraw/zinc/02/92/77/349029277.db2.gz VANYAYWVSFHUDP-FRRDWIJNSA-N 1 0 238.375 2.313 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725234 349029352 /nfs/dbraw/zinc/02/93/52/349029352.db2.gz WGEMQQBKPJMDIF-NEPJUHHUSA-N 1 0 224.348 2.231 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727632 349030016 /nfs/dbraw/zinc/03/00/16/349030016.db2.gz YLHDPAARQCWNEM-VXGBXAGGSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)C[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727630 349030031 /nfs/dbraw/zinc/03/00/31/349030031.db2.gz YLHDPAARQCWNEM-NWDGAFQWSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1=CCCCC1 ZINC000598728469 349030428 /nfs/dbraw/zinc/03/04/28/349030428.db2.gz SCPKOOKDWWDEJE-ZDUSSCGKSA-N 1 0 236.359 2.377 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC1CCCC1 ZINC000598700725 349034254 /nfs/dbraw/zinc/03/42/54/349034254.db2.gz POFHBYYXCMAEGE-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598701540 349034258 /nfs/dbraw/zinc/03/42/58/349034258.db2.gz WUBPHULKWBGAAG-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599030351 349079917 /nfs/dbraw/zinc/07/99/17/349079917.db2.gz LSZVRXTYMUSHEZ-UNXYVOJBSA-N 1 0 225.332 2.272 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCCO1 ZINC000599048852 349082775 /nfs/dbraw/zinc/08/27/75/349082775.db2.gz LEBFWJRYBRAFMU-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000309045159 323205426 /nfs/dbraw/zinc/20/54/26/323205426.db2.gz NZLDDYVOUWNNJS-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CC1COC1 ZINC000599083615 349096345 /nfs/dbraw/zinc/09/63/45/349096345.db2.gz TYPSDUXLBOFMEW-HNNXBMFYSA-N 1 0 242.322 2.172 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1C[NH+]1CCN(CC#N)CC1 ZINC000598894977 349058670 /nfs/dbraw/zinc/05/86/70/349058670.db2.gz LOKAYIWVILNAFL-LSDHHAIUSA-N 1 0 249.402 2.344 20 30 BEEDRO Cc1csc(CNC(=[NH2+])Nc2ccccc2)n1 ZINC000052047760 179769238 /nfs/dbraw/zinc/76/92/38/179769238.db2.gz MIKKFMYZWXAKIT-UHFFFAOYSA-N 1 0 246.339 2.188 20 30 BEEDRO CC[C@@H]1CN(c2cccc(F)c2C#N)C[C@H](C)[NH2+]1 ZINC000599180773 349122419 /nfs/dbraw/zinc/12/24/19/349122419.db2.gz PVEIJQHDYBENJA-WDEREUQCSA-N 1 0 247.317 2.274 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1C#N ZINC000599257250 349132216 /nfs/dbraw/zinc/13/22/16/349132216.db2.gz KIECKYBUSYMOON-CQSZACIVSA-N 1 0 244.338 2.071 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C)c(C#N)c1 ZINC000599271142 349136006 /nfs/dbraw/zinc/13/60/06/349136006.db2.gz UYNVZXZJGANETC-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO CC[C@@H]1CN(Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599268433 349136616 /nfs/dbraw/zinc/13/66/16/349136616.db2.gz YUTGRLUVGCYOHU-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000273471896 192395266 /nfs/dbraw/zinc/39/52/66/192395266.db2.gz JLLVNWMBJWOYHQ-ZDUSSCGKSA-N 1 0 235.327 2.030 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599427033 349185240 /nfs/dbraw/zinc/18/52/40/349185240.db2.gz DIOYKGGRXVFTJQ-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1C#N ZINC000599351726 349155305 /nfs/dbraw/zinc/15/53/05/349155305.db2.gz IGJINWKMSUKTJA-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1C#N ZINC000599367708 349161750 /nfs/dbraw/zinc/16/17/50/349161750.db2.gz YEQJSZADVIDAPE-TZMCWYRMSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1C#N ZINC000599375982 349162640 /nfs/dbraw/zinc/16/26/40/349162640.db2.gz BZWIETVKSGBJAX-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421835933 192390851 /nfs/dbraw/zinc/39/08/51/192390851.db2.gz GANMJRFEVQIRQY-ZDUSSCGKSA-N 1 0 229.327 2.222 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1C#N ZINC000599382451 349164025 /nfs/dbraw/zinc/16/40/25/349164025.db2.gz QYGXTWMVVIRSJA-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CC2(CO)CC2)cc1C#N ZINC000599382453 349164115 /nfs/dbraw/zinc/16/41/15/349164115.db2.gz QZONJZFBYFWCJG-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599383773 349164183 /nfs/dbraw/zinc/16/41/83/349164183.db2.gz BCGNNOUQPCWYLI-UPJWGTAASA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCCCC#N ZINC000599627570 349231475 /nfs/dbraw/zinc/23/14/75/349231475.db2.gz XMUUTOSLJWWBTQ-YFKTTZPYSA-N 1 0 210.321 2.082 20 30 BEEDRO N#CCSCCC[NH+](C1CC1)C1CC1 ZINC000599598589 349232057 /nfs/dbraw/zinc/23/20/57/349232057.db2.gz GIKFMKSNPSMUOU-UHFFFAOYSA-N 1 0 210.346 2.260 20 30 BEEDRO N#Cc1cc(C[NH+](C2CC2)C2CC2)ccn1 ZINC000599599092 349232061 /nfs/dbraw/zinc/23/20/61/349232061.db2.gz IKWDEQHORCHHFS-UHFFFAOYSA-N 1 0 213.284 2.080 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000307195234 349232721 /nfs/dbraw/zinc/23/27/21/349232721.db2.gz QXJLSLLPSFAALC-VWYCJHECSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CCC1([NH2+]Cc2ncnn2CC)CCCC1 ZINC000661849786 490232472 /nfs/dbraw/zinc/23/24/72/490232472.db2.gz AKNHGCPEIBUYSW-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000307135130 349204326 /nfs/dbraw/zinc/20/43/26/349204326.db2.gz PYEPOQZIHYKQGE-OUAUKWLOSA-N 1 0 210.346 2.021 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCC(=O)OCC)C1 ZINC000599526293 349207791 /nfs/dbraw/zinc/20/77/91/349207791.db2.gz JUFAZYPYYVYAAR-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccccc1C#N ZINC000599673481 349240843 /nfs/dbraw/zinc/24/08/43/349240843.db2.gz QIHQXCYAJQUQAA-CHWSQXEVSA-N 1 0 244.338 2.151 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000599674049 349242341 /nfs/dbraw/zinc/24/23/41/349242341.db2.gz ZVXKUSPIMOSELD-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(C)C[N@@H+]1Cc2ccccc2[C@H](C(=O)OC)C1 ZINC000599677069 349242875 /nfs/dbraw/zinc/24/28/75/349242875.db2.gz JMVVXCAMHLPUDF-CQSZACIVSA-N 1 0 245.322 2.335 20 30 BEEDRO CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599678386 349243106 /nfs/dbraw/zinc/24/31/06/349243106.db2.gz IXLBXPHQXHXDTR-UHFFFAOYSA-N 1 0 200.285 2.131 20 30 BEEDRO CCC1(CC)C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601959432 349401051 /nfs/dbraw/zinc/40/10/51/349401051.db2.gz RAXHJXLDDIOGHH-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@H]1OCC)C1CC1 ZINC000309046094 349402421 /nfs/dbraw/zinc/40/24/21/349402421.db2.gz ORTRYHPSNZPMNF-YNEHKIRRSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H]1SCC ZINC000309050090 349406768 /nfs/dbraw/zinc/40/67/68/349406768.db2.gz QNPVKWHEROMYAM-GRYCIOLGSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@@H]1SCC ZINC000309050092 349406792 /nfs/dbraw/zinc/40/67/92/349406792.db2.gz QNPVKWHEROMYAM-SRVKXCTJSA-N 1 0 229.389 2.187 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@H](C(F)F)CC2)C1 ZINC000601976003 349412366 /nfs/dbraw/zinc/41/23/66/349412366.db2.gz OXNUBRKRYQYJCB-MXWKQRLJSA-N 1 0 244.285 2.035 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601978795 349413483 /nfs/dbraw/zinc/41/34/83/349413483.db2.gz ZXKJZXVDKBAAOY-NXEZZACHSA-N 1 0 232.274 2.035 20 30 BEEDRO C[NH+]=C(NCc1ccc(C)s1)NC(C)C ZINC000072611831 191005189 /nfs/dbraw/zinc/00/51/89/191005189.db2.gz UHLUIWRYDNEWFS-UHFFFAOYSA-N 1 0 225.361 2.130 20 30 BEEDRO Cc1nc(NC2(C[NH+](C)C)CCC2)ccc1C#N ZINC000291777396 180015407 /nfs/dbraw/zinc/01/54/07/180015407.db2.gz CFTCNXMOLPZKJY-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1c(Cl)cccc1C#N ZINC000420188541 192172229 /nfs/dbraw/zinc/17/22/29/192172229.db2.gz FKTLMJYJHCAKAS-SECBINFHSA-N 1 0 237.734 2.479 20 30 BEEDRO C=CCCC[N@@H+](CCC)CC(=O)NCCC ZINC000117873855 350225910 /nfs/dbraw/zinc/22/59/10/350225910.db2.gz DBZXBRFYNMUPAC-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)CS(=O)(=O)CC ZINC000117883508 350231287 /nfs/dbraw/zinc/23/12/87/350231287.db2.gz HTWIZXOYDCAQJT-GFCCVEGCSA-N 1 0 247.404 2.098 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@@H](C)CS(=O)(=O)CC ZINC000117883505 350231323 /nfs/dbraw/zinc/23/13/23/350231323.db2.gz HTWIZXOYDCAQJT-LBPRGKRZSA-N 1 0 247.404 2.098 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263048285 535124205 /nfs/dbraw/zinc/12/42/05/535124205.db2.gz DEEUYUHKDMWAKM-JTQLQIEISA-N 1 0 249.383 2.189 20 30 BEEDRO CCC[C@H](C[NH2+]CC1(CC#N)CC1)OC ZINC000382374791 350324477 /nfs/dbraw/zinc/32/44/77/350324477.db2.gz HPLBKDODUALVCA-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@]1(C)CCCS1 ZINC000328098132 350373456 /nfs/dbraw/zinc/37/34/56/350373456.db2.gz VNFVWRZVCYOHAD-LLVKDONJSA-N 1 0 212.362 2.411 20 30 BEEDRO CC[NH+](CC)CCCN1CCC[C@](C)(C#N)C1 ZINC000617219558 350390348 /nfs/dbraw/zinc/39/03/48/350390348.db2.gz WEHXZUDQVLNXPO-CQSZACIVSA-N 1 0 237.391 2.344 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H](O)C(C)(C)C)C1CC1 ZINC000336669797 350434576 /nfs/dbraw/zinc/43/45/76/350434576.db2.gz WRDCVPLSROHFRA-ZYHUDNBSSA-N 1 0 224.348 2.017 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000336679507 350436290 /nfs/dbraw/zinc/43/62/90/350436290.db2.gz ATGIASGPKNQHRK-UHFFFAOYSA-N 1 0 247.264 2.447 20 30 BEEDRO CCC1(O)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000336677284 350437885 /nfs/dbraw/zinc/43/78/85/350437885.db2.gz NOEBHXRYAULPJA-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[N@H+](CCOC)CCSC(C)C ZINC000336677246 350438712 /nfs/dbraw/zinc/43/87/12/350438712.db2.gz DFZMIRQHUFFRBJ-UHFFFAOYSA-N 1 0 217.378 2.262 20 30 BEEDRO C=CCCCN(C)Cc1nccc(C)n1 ZINC000336648213 350417227 /nfs/dbraw/zinc/41/72/27/350417227.db2.gz OCVAAQBZAOLPGV-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO CCOCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336654313 350421465 /nfs/dbraw/zinc/42/14/65/350421465.db2.gz ZTWWLCUZQZOYAD-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCC[N@H+](CCC1CCOCC1)CC1CC1 ZINC000336664828 350425621 /nfs/dbraw/zinc/42/56/21/350425621.db2.gz YISAXVROJHONQG-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000336667462 350428338 /nfs/dbraw/zinc/42/83/38/350428338.db2.gz GMWTXQPKIDZSNL-ZDUSSCGKSA-N 1 0 218.300 2.111 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCSCC#N)CCCO1 ZINC000336680350 350440342 /nfs/dbraw/zinc/44/03/42/350440342.db2.gz KTZIVGMTHNQARE-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO CN(CCC(C)(C)C#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336717118 350468877 /nfs/dbraw/zinc/46/88/77/350468877.db2.gz XRSCIFWDPXPDDZ-ZDUSSCGKSA-N 1 0 235.375 2.095 20 30 BEEDRO Cc1cc(C)n(CCN(C[C@@H](C)C#N)C2CC2)n1 ZINC000336715581 350470422 /nfs/dbraw/zinc/47/04/22/350470422.db2.gz RCSQXJLPCKZLPH-NSHDSACASA-N 1 0 246.358 2.124 20 30 BEEDRO C[C@@H](C#N)CN(CC[NH+]1CCCCC1)C1CC1 ZINC000336722239 350472996 /nfs/dbraw/zinc/47/29/96/350472996.db2.gz ZVPIAFFWNUZOIM-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000336783394 350511147 /nfs/dbraw/zinc/51/11/47/350511147.db2.gz LQIOQQKWJUWVQT-AEGPPILISA-N 1 0 244.338 2.139 20 30 BEEDRO CCCCOCC[NH+]1CCC(C#N)CC1 ZINC000061040316 350500339 /nfs/dbraw/zinc/50/03/39/350500339.db2.gz FYTAMZHKEZRAGD-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO N#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC000054603357 1172129401 /nfs/dbraw/zinc/12/94/01/1172129401.db2.gz HKCKPMFHNCHYEA-OKILXGFUSA-N 1 0 240.306 2.254 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)ccc1C#N ZINC000444001883 191111311 /nfs/dbraw/zinc/11/13/11/191111311.db2.gz LSARAFUWZUHYTK-WCQYABFASA-N 1 0 246.354 2.363 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1CCSC1 ZINC000336647881 350565926 /nfs/dbraw/zinc/56/59/26/350565926.db2.gz CGWQLARFGIIXLC-AVGNSLFASA-N 1 0 241.400 2.310 20 30 BEEDRO C=CCCN1CCOC[C@@H]1c1ccco1 ZINC000606898089 350623357 /nfs/dbraw/zinc/62/33/57/350623357.db2.gz HHPRADMCBDQBOI-LLVKDONJSA-N 1 0 207.273 2.229 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000606881707 350624380 /nfs/dbraw/zinc/62/43/80/350624380.db2.gz ZWCSHVBIUKRSTF-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000618575363 350614152 /nfs/dbraw/zinc/61/41/52/350614152.db2.gz GGUYWZIFWVTEBO-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000618575391 350614381 /nfs/dbraw/zinc/61/43/81/350614381.db2.gz GGUYWZIFWVTEBO-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO CCCC[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674033 350700562 /nfs/dbraw/zinc/70/05/62/350700562.db2.gz VPBBDTHOKDMGEM-AWEZNQCLSA-N 1 0 232.327 2.324 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000125530769 350736202 /nfs/dbraw/zinc/73/62/02/350736202.db2.gz QASALVPRYNKEKT-QWHCGFSZSA-N 1 0 209.333 2.193 20 30 BEEDRO CC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000224173412 535152878 /nfs/dbraw/zinc/15/28/78/535152878.db2.gz UZNXRNNKFNQEGE-UHFFFAOYSA-N 1 0 200.285 2.448 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000429843388 350817631 /nfs/dbraw/zinc/81/76/31/350817631.db2.gz VSPHUSOBTGTXRY-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC000274008060 166331068 /nfs/dbraw/zinc/33/10/68/166331068.db2.gz AEEDRGDKPCODMR-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)CC1(COC)CCC1 ZINC000336671820 350867922 /nfs/dbraw/zinc/86/79/22/350867922.db2.gz NSYNPGNALZATBZ-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(C#N)c(C)c1 ZINC000347454509 133835205 /nfs/dbraw/zinc/83/52/05/133835205.db2.gz LPDHQGZWSZVJFX-ZDUSSCGKSA-N 1 0 246.354 2.460 20 30 BEEDRO N#CC[C@H]1CCCN(Cc2nccs2)C1 ZINC000397565442 350917112 /nfs/dbraw/zinc/91/71/12/350917112.db2.gz ABNHAMIUTWYBDW-SNVBAGLBSA-N 1 0 221.329 2.269 20 30 BEEDRO N#CC[C@@H]1CCCN(Cc2nccs2)C1 ZINC000397565440 350917390 /nfs/dbraw/zinc/91/73/90/350917390.db2.gz ABNHAMIUTWYBDW-JTQLQIEISA-N 1 0 221.329 2.269 20 30 BEEDRO C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)O1 ZINC000397571594 350920241 /nfs/dbraw/zinc/92/02/41/350920241.db2.gz BZVWLLJHHLHPTQ-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO CSCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397583001 350930914 /nfs/dbraw/zinc/93/09/14/350930914.db2.gz BFWRDQIRBNPLNJ-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO C[NH2+]CCSCc1ccc(C#N)cc1 ZINC000382646964 350937233 /nfs/dbraw/zinc/93/72/33/350937233.db2.gz LXULYXGZLHAFAY-UHFFFAOYSA-N 1 0 206.314 2.011 20 30 BEEDRO C[NH2+]CCSCc1cn2ccccc2c1C#N ZINC000382647298 350937556 /nfs/dbraw/zinc/93/75/56/350937556.db2.gz MFRXDTOJTVLTAR-UHFFFAOYSA-N 1 0 245.351 2.264 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccsc2)C1 ZINC000336695463 351022020 /nfs/dbraw/zinc/02/20/20/351022020.db2.gz YWLNDHKYFCWVBM-USWWRNFRSA-N 1 0 236.340 2.063 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000336702373 351050474 /nfs/dbraw/zinc/05/04/74/351050474.db2.gz OBKQOMWBYDHHRV-NEPJUHHUSA-N 1 0 217.316 2.352 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1ncnn1CC ZINC000398103611 363008486 /nfs/dbraw/zinc/00/84/86/363008486.db2.gz UOTKKGDPUKVKQD-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000289964283 351078909 /nfs/dbraw/zinc/07/89/09/351078909.db2.gz XBVPYRIMGCCHFF-JTNHKYCSSA-N 1 0 217.312 2.371 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(C2CC2)o1 ZINC000628318742 351087753 /nfs/dbraw/zinc/08/77/53/351087753.db2.gz RBJFQBAQAYCQNA-AAEUAGOBSA-N 1 0 248.326 2.233 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000111256866 191130115 /nfs/dbraw/zinc/13/01/15/191130115.db2.gz XXULRTIOLCLYAJ-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1nccn1C ZINC000336719857 351145258 /nfs/dbraw/zinc/14/52/58/351145258.db2.gz ZHVMIGKMKQLLAA-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000230407325 351202714 /nfs/dbraw/zinc/20/27/14/351202714.db2.gz XUMLQYHZVMKZNK-NEPJUHHUSA-N 1 0 231.343 2.423 20 30 BEEDRO CC(C)OCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336722851 351218890 /nfs/dbraw/zinc/21/88/90/351218890.db2.gz AYVAKGXEXGVSFY-CHWSQXEVSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](c1cccnc1)C(C)C ZINC000267538974 351313600 /nfs/dbraw/zinc/31/36/00/351313600.db2.gz AAQQAJRQCCOERY-CYBMUJFWSA-N 1 0 248.374 2.136 20 30 BEEDRO CCC(N)=[NH+]OCCc1ccc(C)cc1 ZINC000271116332 351402168 /nfs/dbraw/zinc/40/21/68/351402168.db2.gz HSVPENBMRTXCKZ-UHFFFAOYSA-N 1 0 206.289 2.236 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1[nH]ncc1C ZINC000623592877 363028342 /nfs/dbraw/zinc/02/83/42/363028342.db2.gz GMGSGBCJGVTQFQ-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451882375 351422716 /nfs/dbraw/zinc/42/27/16/351422716.db2.gz CXHQRXUIOLQKOD-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO CCNC(=[NH2+])NC[C@@]1(C)CCCc2ccccc21 ZINC000271624334 351425782 /nfs/dbraw/zinc/42/57/82/351425782.db2.gz NNFWYTYTDSIPTI-OAHLLOKOSA-N 1 0 245.370 2.205 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCCC#N)cc1 ZINC000273035811 351508310 /nfs/dbraw/zinc/50/83/10/351508310.db2.gz HFPJYGDCLREEDZ-UHFFFAOYSA-N 1 0 228.295 2.092 20 30 BEEDRO CC1(C)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000094802916 363047853 /nfs/dbraw/zinc/04/78/53/363047853.db2.gz RQRXWDAPZNNNNW-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@@H](C)O ZINC000386826350 363048430 /nfs/dbraw/zinc/04/84/30/363048430.db2.gz HCENSNGTCLWPFN-GYSYKLTISA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(C#N)c(F)c1 ZINC000271943772 363049459 /nfs/dbraw/zinc/04/94/59/363049459.db2.gz MPJVLYAZPPJXDQ-HERUPUMHSA-N 1 0 248.301 2.261 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCCC#N)cc1C ZINC000273352282 351521392 /nfs/dbraw/zinc/52/13/92/351521392.db2.gz QPDBGXGUKAVORL-UHFFFAOYSA-N 1 0 230.315 2.334 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](C)O ZINC000386913526 363061500 /nfs/dbraw/zinc/06/15/00/363061500.db2.gz QJBCRUTZHSCEAW-MJVIPROJSA-N 1 0 232.327 2.368 20 30 BEEDRO Cc1cncc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000274399944 351568431 /nfs/dbraw/zinc/56/84/31/351568431.db2.gz QAGWVABZOSNISR-LLVKDONJSA-N 1 0 203.289 2.344 20 30 BEEDRO Cc1cc(N2CCC(C#N)CC2)cc[nH+]1 ZINC000274847751 351585188 /nfs/dbraw/zinc/58/51/88/351585188.db2.gz XBZAANDFIXKDKD-UHFFFAOYSA-N 1 0 201.273 2.130 20 30 BEEDRO CCCOc1ccc(CNC(=[NH2+])NCC)c(C)c1 ZINC000276587014 351636399 /nfs/dbraw/zinc/63/63/99/351636399.db2.gz PLODZCQEQPYHRH-UHFFFAOYSA-N 1 0 249.358 2.208 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449640580 201990851 /nfs/dbraw/zinc/99/08/51/201990851.db2.gz SJTKSQGUOWLWQJ-VOAKCMCISA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CCc1ccccn1 ZINC000276525961 351629077 /nfs/dbraw/zinc/62/90/77/351629077.db2.gz GYFPJZCQADGWRO-LBPRGKRZSA-N 1 0 217.316 2.248 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc2c(cn1)OCCO2 ZINC000637838451 351693634 /nfs/dbraw/zinc/69/36/34/351693634.db2.gz XMDUYBFNYDXTCN-UHFFFAOYSA-N 1 0 248.326 2.251 20 30 BEEDRO CCNC(=[NH2+])NCc1ccc(C2CCC2)cc1 ZINC000276981045 351668400 /nfs/dbraw/zinc/66/84/00/351668400.db2.gz YKTUUKAIWPCNGW-UHFFFAOYSA-N 1 0 231.343 2.378 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CCCCCC1 ZINC000336732649 351670523 /nfs/dbraw/zinc/67/05/23/351670523.db2.gz LSYUOLKUCINWGN-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000577766881 366057811 /nfs/dbraw/zinc/05/78/11/366057811.db2.gz MECSNNQNTOGKTF-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO Cc1nccn1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000278276708 351754244 /nfs/dbraw/zinc/75/42/44/351754244.db2.gz PMQMYKVDXZZDEQ-KGLIPLIRSA-N 1 0 246.358 2.254 20 30 BEEDRO Cc1nccn1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000278276706 351754375 /nfs/dbraw/zinc/75/43/75/351754375.db2.gz PMQMYKVDXZZDEQ-KBPBESRZSA-N 1 0 246.358 2.254 20 30 BEEDRO CO[C@@H](CNC(=[NH2+])Nc1ccccc1)C(C)(C)C ZINC000072914235 351759276 /nfs/dbraw/zinc/75/92/76/351759276.db2.gz YVYRWKHAUDEQCR-LBPRGKRZSA-N 1 0 249.358 2.474 20 30 BEEDRO CO[C@H](CNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000072914208 351759724 /nfs/dbraw/zinc/75/97/24/351759724.db2.gz MXORVNAPBCZCPJ-GFCCVEGCSA-N 1 0 235.331 2.084 20 30 BEEDRO C=CCOc1cccc(CN[C@H](C[NH3+])C2CC2)c1 ZINC000414792752 351772271 /nfs/dbraw/zinc/77/22/71/351772271.db2.gz CTVRZJRPCDNBRM-OAHLLOKOSA-N 1 0 246.354 2.078 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CCC2(C)C)cc1C#N ZINC000290239621 180651371 /nfs/dbraw/zinc/65/13/71/180651371.db2.gz ZGZXNONZECJORU-GFCCVEGCSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H](C)[NH2+]CC)c1 ZINC000637948682 351823026 /nfs/dbraw/zinc/82/30/26/351823026.db2.gz PZZKRVUDGSOJBF-LLVKDONJSA-N 1 0 248.326 2.188 20 30 BEEDRO COc1cc(F)cc(CNC[C@@H](C)C#N)c1 ZINC000312281674 363093825 /nfs/dbraw/zinc/09/38/25/363093825.db2.gz XNMUDAQUHNNQMC-VIFPVBQESA-N 1 0 222.263 2.084 20 30 BEEDRO Cn1cc(C[NH2+]C[C@H]2CC=CCC2)cc1C#N ZINC000189591398 180650583 /nfs/dbraw/zinc/65/05/83/180650583.db2.gz HKKHASCHBBLQBB-LBPRGKRZSA-N 1 0 229.327 2.343 20 30 BEEDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000281197794 351879442 /nfs/dbraw/zinc/87/94/42/351879442.db2.gz AIKQSHVEBXFVIT-ZDUSSCGKSA-N 1 0 232.331 2.251 20 30 BEEDRO C=CC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000282645021 351938051 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/nfs/dbraw/zinc/16/27/75/352162775.db2.gz MROHHPBFOWNUMW-UHFFFAOYSA-N 1 0 227.258 2.492 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)[C@@H](C)CC#N ZINC000340292784 352163756 /nfs/dbraw/zinc/16/37/56/352163756.db2.gz ZGNKMHWKFSQFBH-KBPBESRZSA-N 1 0 237.391 2.483 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000618888031 352164093 /nfs/dbraw/zinc/16/40/93/352164093.db2.gz MKPAQAJFXLPMKF-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000618888028 352164553 /nfs/dbraw/zinc/16/45/53/352164553.db2.gz MKPAQAJFXLPMKF-CHWSQXEVSA-N 1 0 222.332 2.039 20 30 BEEDRO Cc1cnccc1CC[NH2+]C[C@H](C)CCC#N ZINC000618888385 352166466 /nfs/dbraw/zinc/16/64/66/352166466.db2.gz XGDOBJVCVQQUFE-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOCC2CC2)cc1 ZINC000289973717 352205008 /nfs/dbraw/zinc/20/50/08/352205008.db2.gz BVSUKIGIQPSABN-UHFFFAOYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)co1)C(C)(C)C ZINC000290172546 352212870 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/nfs/dbraw/zinc/64/28/43/187642843.db2.gz UPDZOIVDGYOZJF-UHFFFAOYSA-N 1 0 217.312 2.326 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000638454515 352263838 /nfs/dbraw/zinc/26/38/38/352263838.db2.gz HZPYRMLCCIPEJY-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000638455485 352265882 /nfs/dbraw/zinc/26/58/82/352265882.db2.gz VYQYNQGFUUMSCD-CYBMUJFWSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000638453862 352266575 /nfs/dbraw/zinc/26/65/75/352266575.db2.gz AYCIGFZBFFANPZ-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000638453865 352266692 /nfs/dbraw/zinc/26/66/92/352266692.db2.gz AYCIGFZBFFANPZ-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000638453832 352267046 /nfs/dbraw/zinc/26/70/46/352267046.db2.gz AICFPXBQGWTPPS-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CCSC2)cc1C#N ZINC000230704142 352275387 /nfs/dbraw/zinc/27/53/87/352275387.db2.gz RBYLHBODJGKFFV-LBPRGKRZSA-N 1 0 248.351 2.162 20 30 BEEDRO CCN(CCC[NH+](C)C)c1ccc(F)cc1C#N ZINC000230713458 352281576 /nfs/dbraw/zinc/28/15/76/352281576.db2.gz GZWCRJAKEXJHSS-UHFFFAOYSA-N 1 0 249.333 2.475 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000638474537 352284249 /nfs/dbraw/zinc/28/42/49/352284249.db2.gz OEIROZSWJGNIFJ-QWHCGFSZSA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)[N@@H+]1CCCN([C@@H](C)CCC#N)CC1 ZINC000411212691 191169985 /nfs/dbraw/zinc/16/99/85/191169985.db2.gz AUPVEVVYDLPXSC-ZDUSSCGKSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H]1CN(CCC#N)Cc2ccccc2O1 ZINC000292539497 352324759 /nfs/dbraw/zinc/32/47/59/352324759.db2.gz XPCRZHNSRFFTIH-NSHDSACASA-N 1 0 216.284 2.183 20 30 BEEDRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411277043 191173578 /nfs/dbraw/zinc/17/35/78/191173578.db2.gz HMYZUIHCOPDMPJ-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)C[C@@H]1CCCOC1 ZINC000411285059 191174185 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/nfs/dbraw/zinc/42/44/17/352424417.db2.gz OZYDWGKXSWQARY-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCc1cccnc1 ZINC000411647333 191203528 /nfs/dbraw/zinc/20/35/28/191203528.db2.gz XPTNVFIZARIBFM-UHFFFAOYSA-N 1 0 247.386 2.064 20 30 BEEDRO CCC[N@H+](CCN1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000411721699 191205826 /nfs/dbraw/zinc/20/58/26/191205826.db2.gz SYCOMMACBMSXID-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO CCC[N@H+](CCN1CCCC1)[C@H]1CC[C@H](C#N)C1 ZINC000411721698 191206979 /nfs/dbraw/zinc/20/69/79/191206979.db2.gz SYCOMMACBMSXID-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO CCOC[C@H]([NH2+][C@@H](C)CCC#N)C(C)C ZINC000411726466 191207231 /nfs/dbraw/zinc/20/72/31/191207231.db2.gz YDYJPAOODJIXSL-RYUDHWBXSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCCC#N ZINC000411556121 191193562 /nfs/dbraw/zinc/19/35/62/191193562.db2.gz XLAUNLORBDXCIJ-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CCC#N)C1(CC)CC ZINC000411549588 191193908 /nfs/dbraw/zinc/19/39/08/191193908.db2.gz HNOOUWUZQQSNFT-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000638609945 352447774 /nfs/dbraw/zinc/44/77/74/352447774.db2.gz MIPZNRZZFFXVEB-XJFOESAGSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411764439 191209517 /nfs/dbraw/zinc/20/95/17/191209517.db2.gz FRBBXTLLQFFOBX-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC#CC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000411766142 191209521 /nfs/dbraw/zinc/20/95/21/191209521.db2.gz BINPIUOLMHMLRF-UHFFFAOYSA-N 1 0 248.301 2.109 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)CCC#N)cn1 ZINC000411805575 191213481 /nfs/dbraw/zinc/21/34/81/191213481.db2.gz UIQQOWZLRSIHHP-WDEREUQCSA-N 1 0 220.320 2.246 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000411787055 191211379 /nfs/dbraw/zinc/21/13/79/191211379.db2.gz KIOZFTPPORZCGQ-UPJWGTAASA-N 1 0 239.359 2.267 20 30 BEEDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C[C@H]1C ZINC000411791702 191211957 /nfs/dbraw/zinc/21/19/57/191211957.db2.gz HLHPRMDSLRJEBV-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000583481277 352552010 /nfs/dbraw/zinc/55/20/10/352552010.db2.gz QHEKMASERGVZSP-STQMWFEESA-N 1 0 211.349 2.483 20 30 BEEDRO Cn1cc(C[NH2+]CCCC2CC2)cc1C#N ZINC000232316056 352618960 /nfs/dbraw/zinc/61/89/60/352618960.db2.gz LPZXDVXWZQQAHI-UHFFFAOYSA-N 1 0 217.316 2.177 20 30 BEEDRO N#CCCCC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411874668 191226470 /nfs/dbraw/zinc/22/64/70/191226470.db2.gz MSYCLUOWBTWMQZ-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cc2F)C1 ZINC000044538020 352654841 /nfs/dbraw/zinc/65/48/41/352654841.db2.gz HHLWWMCXTSMAGY-LBPRGKRZSA-N 1 0 247.317 2.451 20 30 BEEDRO N#CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411920636 191227399 /nfs/dbraw/zinc/22/73/99/191227399.db2.gz CKOWTQZEMUICBV-ZIAGYGMSSA-N 1 0 230.311 2.098 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000411973040 191233854 /nfs/dbraw/zinc/23/38/54/191233854.db2.gz QYYASYXFVBUWSF-AAEUAGOBSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000411968188 191234264 /nfs/dbraw/zinc/23/42/64/191234264.db2.gz IYFGTWXFTZYZPJ-OCCSQVGLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411962403 191234276 /nfs/dbraw/zinc/23/42/76/191234276.db2.gz BEFNRDUNPUSRMQ-UBHSHLNASA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411961221 191234525 /nfs/dbraw/zinc/23/45/25/191234525.db2.gz ZPXWVEDOHMCJQU-KBPBESRZSA-N 1 0 217.312 2.370 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000411962401 191235133 /nfs/dbraw/zinc/23/51/33/191235133.db2.gz BEFNRDUNPUSRMQ-FPMFFAJLSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411981473 191235766 /nfs/dbraw/zinc/23/57/66/191235766.db2.gz AWYKZCCGDOOXTJ-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO COC1([C@H](C)[NH2+]CCCSCC#N)CCC1 ZINC000412030578 191241719 /nfs/dbraw/zinc/24/17/19/191241719.db2.gz ZYBSEVOZOYUNBB-NSHDSACASA-N 1 0 242.388 2.180 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412045566 191242763 /nfs/dbraw/zinc/24/27/63/191242763.db2.gz XYXSZIHJJNAVCW-YWPYICTPSA-N 1 0 244.338 2.322 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000336744002 352678501 /nfs/dbraw/zinc/67/85/01/352678501.db2.gz YSQOFPTVVITGBC-JHJVBQTASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@H](Cc1ccccc1)OC ZINC000638747813 352682158 /nfs/dbraw/zinc/68/21/58/352682158.db2.gz JMPKYIOSDXGFER-OCCSQVGLSA-N 1 0 219.328 2.408 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000638756848 352686562 /nfs/dbraw/zinc/68/65/62/352686562.db2.gz DDCXBKKQHFSWDK-CHWSQXEVSA-N 1 0 229.364 2.230 20 30 BEEDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)cc(C#N)n1 ZINC000308267327 352742872 /nfs/dbraw/zinc/74/28/72/352742872.db2.gz KIHNHBFTQVGSCQ-LBPRGKRZSA-N 1 0 244.342 2.015 20 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C[N@@H+]1CCC[C@@H]1CCN1CCC(C)(C#N)CC1 ZINC000334252832 352889588 /nfs/dbraw/zinc/88/95/88/352889588.db2.gz BYQAAZPYJCPYJD-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000334254508 352892606 /nfs/dbraw/zinc/89/26/06/352892606.db2.gz KSCMEKFZPQFMOK-UHFFFAOYSA-N 1 0 203.285 2.326 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638812451 352990996 /nfs/dbraw/zinc/99/09/96/352990996.db2.gz ZEKAZGAJSQQFHF-VHSXEESVSA-N 1 0 219.275 2.212 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000336748231 352944359 /nfs/dbraw/zinc/94/43/59/352944359.db2.gz SNMJLRHSCONIMZ-LPEHRKFASA-N 1 0 239.281 2.490 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638834865 353021201 /nfs/dbraw/zinc/02/12/01/353021201.db2.gz RZPDDTQCGWMNSK-IUODEOHRSA-N 1 0 248.370 2.134 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638836228 353021935 /nfs/dbraw/zinc/02/19/35/353021935.db2.gz DFXHAOATFGULJO-BFHYXJOUSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H](CO)CNc1cc[nH+]c(C)c1Cl ZINC000336750275 353033016 /nfs/dbraw/zinc/03/30/16/353033016.db2.gz ZLDQBFOGGQLENH-SNVBAGLBSA-N 1 0 240.734 2.062 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000638828839 353007895 /nfs/dbraw/zinc/00/78/95/353007895.db2.gz HMSQBCGLLQZILB-RQJABVFESA-N 1 0 223.360 2.197 20 30 BEEDRO COC[C@H](CC(C)C)[NH2+]CCCCC#N ZINC000336752080 353072925 /nfs/dbraw/zinc/07/29/25/353072925.db2.gz FUBXHIRENNXYIG-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc2oc(=O)n(C)c2c1 ZINC000638911176 353075618 /nfs/dbraw/zinc/07/56/18/353075618.db2.gz ZWDCKSAEDXQJJF-UHFFFAOYSA-N 1 0 246.310 2.139 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000638875392 353041663 /nfs/dbraw/zinc/04/16/63/353041663.db2.gz RKKXMJRNHHRNEQ-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000638875429 353041819 /nfs/dbraw/zinc/04/18/19/353041819.db2.gz SUTOETGBZGXAKD-NEPJUHHUSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000638875431 353041882 /nfs/dbraw/zinc/04/18/82/353041882.db2.gz SUTOETGBZGXAKD-RYUDHWBXSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000638875992 353042395 /nfs/dbraw/zinc/04/23/95/353042395.db2.gz VIZDIMWLCQVUJF-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336752142 353076140 /nfs/dbraw/zinc/07/61/40/353076140.db2.gz FVOPTLNUZTUZBG-SRVKXCTJSA-N 1 0 210.321 2.083 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCCSCC2)C1 ZINC000334430083 353105304 /nfs/dbraw/zinc/10/53/04/353105304.db2.gz ZQUGNLGYWPIEDW-QWRGUYRKSA-N 1 0 210.346 2.118 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCCSCC2)C1 ZINC000334430078 353105384 /nfs/dbraw/zinc/10/53/84/353105384.db2.gz ZQUGNLGYWPIEDW-GHMZBOCLSA-N 1 0 210.346 2.118 20 30 BEEDRO CC(C)C[C@@H](CNc1ccc(C#N)nc1)[NH+](C)C ZINC000267368055 188022674 /nfs/dbraw/zinc/02/26/74/188022674.db2.gz JHWDNAVJUPCJDM-AWEZNQCLSA-N 1 0 246.358 2.341 20 30 BEEDRO C#CCCN1CCc2c(F)ccc(F)c2C1 ZINC000270635285 188025412 /nfs/dbraw/zinc/02/54/12/188025412.db2.gz QXBYNOQKCMDTIX-UHFFFAOYSA-N 1 0 221.250 2.346 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)c1ccccc1 ZINC000272370755 188026650 /nfs/dbraw/zinc/02/66/50/188026650.db2.gz ZXMKVEMZZIRUKJ-UHFFFAOYSA-N 1 0 215.296 2.215 20 30 BEEDRO CC(C)N(Cc1cccc(C#N)c1)C1COC1 ZINC000295612017 188039552 /nfs/dbraw/zinc/03/95/52/188039552.db2.gz DUOTXYGEJHVRFP-UHFFFAOYSA-N 1 0 230.311 2.167 20 30 BEEDRO C=CCSCC[NH2+]Cc1scnc1C ZINC000164506702 188046345 /nfs/dbraw/zinc/04/63/45/188046345.db2.gz OEGYBYXPBGBUNT-UHFFFAOYSA-N 1 0 228.386 2.460 20 30 BEEDRO C#CCC[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000070160787 188048030 /nfs/dbraw/zinc/04/80/30/188048030.db2.gz IGWOHQDZAWCWGA-UHFFFAOYSA-N 1 0 245.322 2.085 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000166493112 188051941 /nfs/dbraw/zinc/05/19/41/188051941.db2.gz OFSZAKIJVXGKEI-VXGBXAGGSA-N 1 0 217.312 2.238 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950763 353153809 /nfs/dbraw/zinc/15/38/09/353153809.db2.gz SCCXPZKOYQVMPB-AVGNSLFASA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000336759995 353170135 /nfs/dbraw/zinc/17/01/35/353170135.db2.gz LVNOSPIOBKHCKQ-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CCC(C)CC1 ZINC000336760664 353171936 /nfs/dbraw/zinc/17/19/36/353171936.db2.gz MJFKPWBNWVZDLG-CPCZMJQVSA-N 1 0 211.349 2.339 20 30 BEEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000330837414 353185677 /nfs/dbraw/zinc/18/56/77/353185677.db2.gz MCUJXAXDQOOJTN-MELADBBJSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CCC1CC1 ZINC000336762725 353208710 /nfs/dbraw/zinc/20/87/10/353208710.db2.gz OLMVDWGQPHKBHN-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO CC(C)CO[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000119535645 535211263 /nfs/dbraw/zinc/21/12/63/535211263.db2.gz KJBFESSDDLTYIW-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000336764604 353258295 /nfs/dbraw/zinc/25/82/95/353258295.db2.gz QHEAGHLRKRFTTB-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250533052 353271963 /nfs/dbraw/zinc/27/19/63/353271963.db2.gz VMQURZHANJZYRQ-MJBXVCDLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000165272395 353272060 /nfs/dbraw/zinc/27/20/60/353272060.db2.gz PDUKFPJQCWIXMP-YHWZYXNKSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250533045 353272243 /nfs/dbraw/zinc/27/22/43/353272243.db2.gz VMQURZHANJZYRQ-MCIONIFRSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000127666130 353273866 /nfs/dbraw/zinc/27/38/66/353273866.db2.gz OOJLPYVZWUKHQG-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccncc1CC ZINC000336767079 353274643 /nfs/dbraw/zinc/27/46/43/353274643.db2.gz SEHKZSSROYBBKL-LLVKDONJSA-N 1 0 202.301 2.318 20 30 BEEDRO C=C(C)CN(CC)Cc1nc(CC)cc(=O)[nH]1 ZINC000160498529 353262567 /nfs/dbraw/zinc/26/25/67/353262567.db2.gz SARIQHLBTCGHAX-UHFFFAOYSA-N 1 0 235.331 2.143 20 30 BEEDRO C=C(C)CN1CCC[N@H+](CC(=C)C)CC1 ZINC000071805433 353268369 /nfs/dbraw/zinc/26/83/69/353268369.db2.gz XQCJGKQNWSNJNL-UHFFFAOYSA-N 1 0 208.349 2.146 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000289985856 353281644 /nfs/dbraw/zinc/28/16/44/353281644.db2.gz XCSHAZKTYSEZQT-GXFFZTMASA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000336768521 353283243 /nfs/dbraw/zinc/28/32/43/353283243.db2.gz QWWLCGLCNXYYLR-FIQHERPVSA-N 1 0 225.332 2.128 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000194635679 188233662 /nfs/dbraw/zinc/23/36/62/188233662.db2.gz CJUSTRIAFCOQRY-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO COC1(C[C@H](C)[NH2+]CCCC#N)CCC1 ZINC000336769366 353285129 /nfs/dbraw/zinc/28/51/29/353285129.db2.gz UWGICWXCOOCAPY-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000161641620 353290421 /nfs/dbraw/zinc/29/04/21/353290421.db2.gz ZAHKAVHTXZLMPI-ZYHUDNBSSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000265330158 188260588 /nfs/dbraw/zinc/26/05/88/188260588.db2.gz VSOVOQOQMXPTHC-OCCSQVGLSA-N 1 0 246.354 2.370 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000268281696 188260725 /nfs/dbraw/zinc/26/07/25/188260725.db2.gz PIGLWZUVUUUTOE-OLZOCXBDSA-N 1 0 233.311 2.191 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000270528037 188261971 /nfs/dbraw/zinc/26/19/71/188261971.db2.gz NWZSELBJXGBSDL-HNNXBMFYSA-N 1 0 231.339 2.283 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)cc1 ZINC000268931828 188262309 /nfs/dbraw/zinc/26/23/09/188262309.db2.gz ZRIWJJGJVYTEMJ-QWHCGFSZSA-N 1 0 247.338 2.120 20 30 BEEDRO C#CCC[N@@H+]1CCc2cccc(F)c2C1 ZINC000271090077 188262830 /nfs/dbraw/zinc/26/28/30/188262830.db2.gz HGCUVCJXWZXDTC-UHFFFAOYSA-N 1 0 203.260 2.207 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000162135176 353308970 /nfs/dbraw/zinc/30/89/70/353308970.db2.gz QNKGNLDZYSJTLG-OAHLLOKOSA-N 1 0 249.329 2.174 20 30 BEEDRO C=CCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000275092086 188265366 /nfs/dbraw/zinc/26/53/66/188265366.db2.gz BIQYOSRDKZGYDW-UHFFFAOYSA-N 1 0 218.300 2.440 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H](O)CSC)c1ccccc1 ZINC000275189794 188266147 /nfs/dbraw/zinc/26/61/47/188266147.db2.gz ORRCDSAHNYHTEP-KGLIPLIRSA-N 1 0 249.379 2.065 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000279542793 188267847 /nfs/dbraw/zinc/26/78/47/188267847.db2.gz QFZWAYQNCVWHCM-YPMHNXCESA-N 1 0 248.370 2.384 20 30 BEEDRO CC(C)(CO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000294703146 188268789 /nfs/dbraw/zinc/26/87/89/188268789.db2.gz DDZQPJSBJHMTSY-UHFFFAOYSA-N 1 0 232.327 2.056 20 30 BEEDRO CC(C)[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000035138915 188284602 /nfs/dbraw/zinc/28/46/02/188284602.db2.gz DWAVRPHPOJHALN-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000058016307 188259058 /nfs/dbraw/zinc/25/90/58/188259058.db2.gz MOKADLLRJBJGAJ-CYBMUJFWSA-N 1 0 243.306 2.228 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1ccccc1CC[NH2+]C ZINC000162806265 353332660 /nfs/dbraw/zinc/33/26/60/353332660.db2.gz ZDIYSMCCOWZRTP-GFCCVEGCSA-N 1 0 246.354 2.143 20 30 BEEDRO C=CC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000076416304 353335475 /nfs/dbraw/zinc/33/54/75/353335475.db2.gz ZKMHFPDNHKWGNP-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCSCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000129371470 353317813 /nfs/dbraw/zinc/31/78/13/353317813.db2.gz JBABIBYPSZATFP-LBPRGKRZSA-N 1 0 239.388 2.380 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+]CCCC#N ZINC000336772232 353319434 /nfs/dbraw/zinc/31/94/34/353319434.db2.gz XXXKZXOKWVQYGG-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000162636927 353323769 /nfs/dbraw/zinc/32/37/69/353323769.db2.gz YIDMAJWSBHFVRX-SNVBAGLBSA-N 1 0 221.300 2.455 20 30 BEEDRO C#CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000075865018 353329202 /nfs/dbraw/zinc/32/92/02/353329202.db2.gz RIAHLEWPYXDQNY-OAHLLOKOSA-N 1 0 229.323 2.158 20 30 BEEDRO C=CCN(CCC)[C@H](CC)C(=O)OCC ZINC000190356379 353355694 /nfs/dbraw/zinc/35/56/94/353355694.db2.gz VRJVSOXEXFMXCC-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)nc1 ZINC000130868115 353360307 /nfs/dbraw/zinc/36/03/07/353360307.db2.gz JDRRCYWKIQFMEX-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=CCCCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000639057259 353363143 /nfs/dbraw/zinc/36/31/43/353363143.db2.gz YVJCOIDOIFVIJY-UHFFFAOYSA-N 1 0 248.326 2.299 20 30 BEEDRO C=CCSCC[NH2+]Cc1c(Cl)cnn1C ZINC000131224171 353365206 /nfs/dbraw/zinc/36/52/06/353365206.db2.gz SOAPQKQUMIGFSZ-UHFFFAOYSA-N 1 0 245.779 2.082 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C(N)=O)c1ccccc1 ZINC000076736060 353340488 /nfs/dbraw/zinc/34/04/88/353340488.db2.gz HPXIHAGRZJGHMY-CYBMUJFWSA-N 1 0 232.327 2.111 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000130433484 353350497 /nfs/dbraw/zinc/35/04/97/353350497.db2.gz KDXQIBWCGIBUPW-JTQLQIEISA-N 1 0 218.300 2.309 20 30 BEEDRO CC(C)(O)C[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000181548933 188344455 /nfs/dbraw/zinc/34/44/55/188344455.db2.gz IVMSKCLDKLYBGP-UHFFFAOYSA-N 1 0 244.338 2.294 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000132720213 353383886 /nfs/dbraw/zinc/38/38/86/353383886.db2.gz OQPIZVHCGKUDQL-UHFFFAOYSA-N 1 0 241.338 2.256 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/C2CC2)CC1 ZINC000080079756 353384478 /nfs/dbraw/zinc/38/44/78/353384478.db2.gz ACRLXBXAWHKKAS-AATRIKPKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(=O)N(C)C)c1ccccc1 ZINC000180041151 353384533 /nfs/dbraw/zinc/38/45/33/353384533.db2.gz HNPZUUJJNMZMRI-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCCF)c1 ZINC000308529056 188369950 /nfs/dbraw/zinc/36/99/50/188369950.db2.gz QCHUERWBIZGPCZ-UHFFFAOYSA-N 1 0 212.293 2.459 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000281398569 353445564 /nfs/dbraw/zinc/44/55/64/353445564.db2.gz NLKLCMVTSOCCMH-AWEZNQCLSA-N 1 0 231.343 2.361 20 30 BEEDRO C=CC[NH+](CC=C)CC1(CC(=O)OC)CC1 ZINC000281526704 353449593 /nfs/dbraw/zinc/44/95/93/353449593.db2.gz VLLZEKYNRDVBBL-UHFFFAOYSA-N 1 0 223.316 2.004 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191383398 353472550 /nfs/dbraw/zinc/47/25/50/353472550.db2.gz WFCYYXASWRVXQO-UHFFFAOYSA-N 1 0 217.316 2.295 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1sccc1C ZINC000134402097 353494399 /nfs/dbraw/zinc/49/43/99/353494399.db2.gz BDGDBWHLTFEOHW-SNVBAGLBSA-N 1 0 238.356 2.009 20 30 BEEDRO C=CCC[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000284005378 353508314 /nfs/dbraw/zinc/50/83/14/353508314.db2.gz DTRMHBGNXKOKGU-MRXNPFEDSA-N 1 0 244.382 2.421 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000191749233 353508356 /nfs/dbraw/zinc/50/83/56/353508356.db2.gz AAXSLANDAGJFLQ-IINYFYTJSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000134912009 353516332 /nfs/dbraw/zinc/51/63/32/353516332.db2.gz KKRLAYKYKIROMI-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000183315600 353530971 /nfs/dbraw/zinc/53/09/71/353530971.db2.gz CFDIGNNVZFMWOD-CYBMUJFWSA-N 1 0 249.354 2.422 20 30 BEEDRO C[C@@H](O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192019614 353531849 /nfs/dbraw/zinc/53/18/49/353531849.db2.gz XZFZFJSPEAVGNM-CQSZACIVSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CC[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000285348211 353534564 /nfs/dbraw/zinc/53/45/64/353534564.db2.gz PSTJUSQLKJXNJQ-CYBMUJFWSA-N 1 0 205.301 2.228 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)CCC=C ZINC000285603747 353537073 /nfs/dbraw/zinc/53/70/73/353537073.db2.gz JLPOEVJXTGHLBE-INIZCTEOSA-N 1 0 243.350 2.449 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@H](CO)C(C)(C)C ZINC000192120359 353543251 /nfs/dbraw/zinc/54/32/51/353543251.db2.gz IFNPMEISESDUEC-OAHLLOKOSA-N 1 0 245.366 2.377 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192133679 353544423 /nfs/dbraw/zinc/54/44/23/353544423.db2.gz NCAVWEZRGXGAOH-QWHCGFSZSA-N 1 0 237.249 2.018 20 30 BEEDRO C=CCN(CC=C)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093676817 353497940 /nfs/dbraw/zinc/49/79/40/353497940.db2.gz XHFMCFASUYRKOL-AGUYFDCRSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCOCC[NH2+][C@H](COC)c1ccccc1 ZINC000287271796 353574595 /nfs/dbraw/zinc/57/45/95/353574595.db2.gz AZEZQUXOBUAQAP-CQSZACIVSA-N 1 0 235.327 2.166 20 30 BEEDRO C=CCOc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000193216023 353577274 /nfs/dbraw/zinc/57/72/74/353577274.db2.gz XCJWOKOYEUTKIJ-LLVKDONJSA-N 1 0 248.326 2.317 20 30 BEEDRO C#CCN(CC)Cc1c(C)cc(C)nc1OC ZINC000287600613 353580415 /nfs/dbraw/zinc/58/04/15/353580415.db2.gz DEWYNPRFKZTBNL-UHFFFAOYSA-N 1 0 232.327 2.162 20 30 BEEDRO C=CCC[N@@H+](CCOC)Cc1ccccn1 ZINC000287361812 353581747 /nfs/dbraw/zinc/58/17/47/353581747.db2.gz LXSSZRCJBONVDX-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193505950 353595871 /nfs/dbraw/zinc/59/58/71/353595871.db2.gz PEYRMNHPENXJBL-AAEUAGOBSA-N 1 0 236.359 2.012 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000286140106 353557772 /nfs/dbraw/zinc/55/77/72/353557772.db2.gz NBCOKVXORZOOOK-CYBMUJFWSA-N 1 0 217.312 2.064 20 30 BEEDRO C=CCCC[N@@H+](CCOC)Cc1ccccn1 ZINC000286726406 353569443 /nfs/dbraw/zinc/56/94/43/353569443.db2.gz BKDDKVMFMOKANC-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO C#C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000289655384 353625075 /nfs/dbraw/zinc/62/50/75/353625075.db2.gz YHEOMYWUEWWAPB-JTQLQIEISA-N 1 0 238.312 2.404 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289400459 353627817 /nfs/dbraw/zinc/62/78/17/353627817.db2.gz NXKFDXRDTDHTJR-CABCVRRESA-N 1 0 228.339 2.045 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)nn(C)c1Cl)C(C)C ZINC000289399311 353627902 /nfs/dbraw/zinc/62/79/02/353627902.db2.gz OKVCKBXAFYRWHE-NSHDSACASA-N 1 0 239.750 2.129 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C)nn(C(C)(C)C)c1C ZINC000289541643 353631705 /nfs/dbraw/zinc/63/17/05/353631705.db2.gz QNPUGACRQUFDDR-JTQLQIEISA-N 1 0 233.359 2.366 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(OCCCOC)c1 ZINC000289537619 353631755 /nfs/dbraw/zinc/63/17/55/353631755.db2.gz QHLZSYNWCWCMDU-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000289527215 353632070 /nfs/dbraw/zinc/63/20/70/353632070.db2.gz GHSJLPDRESHWOH-BBRMVZONSA-N 1 0 243.350 2.403 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000289574522 353632671 /nfs/dbraw/zinc/63/26/71/353632671.db2.gz BDHQYFVWJLJXPN-DZGCQCFKSA-N 1 0 233.355 2.453 20 30 BEEDRO C#CCOc1ccc(C[N@@H+](C)C[C@@H](C)OC)cc1 ZINC000289593939 353632758 /nfs/dbraw/zinc/63/27/58/353632758.db2.gz KOKMHXNZNLOAMF-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000289746108 353633416 /nfs/dbraw/zinc/63/34/16/353633416.db2.gz HEAIGARRDXQHET-CYBMUJFWSA-N 1 0 235.327 2.110 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000289754299 353633444 /nfs/dbraw/zinc/63/34/44/353633444.db2.gz LFYPAOMVEFDYDQ-YPMHNXCESA-N 1 0 235.327 2.201 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)C[C@H](C)OC)cc1 ZINC000289870154 353640356 /nfs/dbraw/zinc/64/03/56/353640356.db2.gz VTUJRXZEDSSALF-LBPRGKRZSA-N 1 0 217.312 2.135 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000289926945 353643406 /nfs/dbraw/zinc/64/34/06/353643406.db2.gz VGKSTRWOPPEJPO-RYUDHWBXSA-N 1 0 235.327 2.201 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000289970397 353644367 /nfs/dbraw/zinc/64/43/67/353644367.db2.gz WAXIJIVNRQZGTE-CQSZACIVSA-N 1 0 242.322 2.180 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290038494 353646716 /nfs/dbraw/zinc/64/67/16/353646716.db2.gz WIPUAFMBNUMGGM-ZDUSSCGKSA-N 1 0 219.332 2.405 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290069416 353647518 /nfs/dbraw/zinc/64/75/18/353647518.db2.gz YFCDOQVSOYNPKK-LLVKDONJSA-N 1 0 225.723 2.359 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OC)o1)C(C)(C)C ZINC000290141491 353649692 /nfs/dbraw/zinc/64/96/92/353649692.db2.gz KKMXCFGPAXOVDK-GFCCVEGCSA-N 1 0 249.310 2.204 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)o1)C(C)(C)C ZINC000290141495 353649981 /nfs/dbraw/zinc/64/99/81/353649981.db2.gz KKMXCFGPAXOVDK-LBPRGKRZSA-N 1 0 249.310 2.204 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000290324090 353650838 /nfs/dbraw/zinc/65/08/38/353650838.db2.gz JUOJCNBTEMAORF-CQSZACIVSA-N 1 0 231.339 2.165 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000290213395 353651370 /nfs/dbraw/zinc/65/13/70/353651370.db2.gz HJSYEVZAOCUVPQ-NJZAAPMLSA-N 1 0 247.338 2.425 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccccc1N(C)C ZINC000288762210 353606625 /nfs/dbraw/zinc/60/66/25/353606625.db2.gz HNXAUQGXWKAQME-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000194416546 353652139 /nfs/dbraw/zinc/65/21/39/353652139.db2.gz NHCIGLJOFAUHJS-ZDUSSCGKSA-N 1 0 235.327 2.030 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)C(C)C ZINC000289319216 353612189 /nfs/dbraw/zinc/61/21/89/353612189.db2.gz FNURSECMWXXEDK-CYBMUJFWSA-N 1 0 249.310 2.122 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000289339372 353613668 /nfs/dbraw/zinc/61/36/68/353613668.db2.gz VZGVDUYARVVAFX-OAHLLOKOSA-N 1 0 229.323 2.184 20 30 BEEDRO C[C@H](O)C[N@H+](CC1(C#N)CC1)C1CCCCC1 ZINC000343312981 353618678 /nfs/dbraw/zinc/61/86/78/353618678.db2.gz FSBOGSJUELNFOB-LBPRGKRZSA-N 1 0 236.359 2.306 20 30 BEEDRO CCOC[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000343312902 353618800 /nfs/dbraw/zinc/61/88/00/353618800.db2.gz FAWURTHJNLWRMB-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C#C[C@@H](C)NCc1ccnc(Cl)c1Cl ZINC000291507563 353694302 /nfs/dbraw/zinc/69/43/02/353694302.db2.gz IBRANPKRSRMYOI-SSDOTTSWSA-N 1 0 229.110 2.500 20 30 BEEDRO C#C[C@H](C)NCc1ccnc(Cl)c1Cl ZINC000291507564 353694527 /nfs/dbraw/zinc/69/45/27/353694527.db2.gz IBRANPKRSRMYOI-ZETCQYMHSA-N 1 0 229.110 2.500 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000366820283 353700551 /nfs/dbraw/zinc/70/05/51/353700551.db2.gz HABRCQURSYSPOH-FRRDWIJNSA-N 1 0 246.354 2.227 20 30 BEEDRO C=C(C)CN(CC)Cc1nnc(C(C)C)[nH]1 ZINC000292302906 353708719 /nfs/dbraw/zinc/70/87/19/353708719.db2.gz ZYTLSJPPBXXBIC-UHFFFAOYSA-N 1 0 222.336 2.326 20 30 BEEDRO C=CCCC[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292121757 353711061 /nfs/dbraw/zinc/71/10/61/353711061.db2.gz IAZSQLICNCENSQ-JSGCOSHPSA-N 1 0 246.354 2.200 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000336782695 353735010 /nfs/dbraw/zinc/73/50/10/353735010.db2.gz YNMWWNPJCYQVAP-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC(C)(C)C1 ZINC000320602881 353720029 /nfs/dbraw/zinc/72/00/29/353720029.db2.gz DQICJOPDDYOCJN-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](OC)C2CC2)cc1 ZINC000293609967 353750317 /nfs/dbraw/zinc/75/03/17/353750317.db2.gz JWSZLABRUZMSHS-HNNXBMFYSA-N 1 0 229.323 2.183 20 30 BEEDRO C=CCOCC[N@H+]1CCc2ccc(OC)cc2C1 ZINC000293661895 353760573 /nfs/dbraw/zinc/76/05/73/353760573.db2.gz YTLRDTDGCKFWCO-UHFFFAOYSA-N 1 0 247.338 2.256 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1conc1C)C(C)(C)C ZINC000293927907 353764963 /nfs/dbraw/zinc/76/49/63/353764963.db2.gz NGPINXPSTREYPD-LLVKDONJSA-N 1 0 206.289 2.121 20 30 BEEDRO C=CCOCC[N@@H+]1CCc2ccsc2C1 ZINC000293824040 353769174 /nfs/dbraw/zinc/76/91/74/353769174.db2.gz PGIHVNBBDOABGQ-UHFFFAOYSA-N 1 0 223.341 2.309 20 30 BEEDRO C=CC[NH+](CC=C)CCO[C@@H]1CCCCO1 ZINC000185180556 353769936 /nfs/dbraw/zinc/76/99/36/353769936.db2.gz JFQHGPGXGUDBSG-CYBMUJFWSA-N 1 0 225.332 2.204 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000294472453 353779745 /nfs/dbraw/zinc/77/97/45/353779745.db2.gz GWELQAWQLSIPNS-CQSZACIVSA-N 1 0 237.318 2.237 20 30 BEEDRO CC#CC[N@@H+](C)CCOc1cccc(OC)c1 ZINC000293264906 353738900 /nfs/dbraw/zinc/73/89/00/353738900.db2.gz UQWIPPWVGPTZCT-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]([NH3+])c1ccccc1C ZINC000295334338 353804218 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/nfs/dbraw/zinc/83/80/79/353838079.db2.gz YQPSQQKWLINRJO-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000294940954 353793967 /nfs/dbraw/zinc/79/39/67/353793967.db2.gz DSRCHNQMURATER-WCQYABFASA-N 1 0 232.327 2.076 20 30 BEEDRO C=CCCN(C)Cc1ncc(COC)s1 ZINC000343447084 353891654 /nfs/dbraw/zinc/89/16/54/353891654.db2.gz RWPQHZMWQBFJCN-UHFFFAOYSA-N 1 0 226.345 2.297 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccns1 ZINC000639142905 353850424 /nfs/dbraw/zinc/85/04/24/353850424.db2.gz FLBHKSWJDRYELL-PWSUYJOCSA-N 1 0 238.356 2.214 20 30 BEEDRO N#CC1(F)CC[NH+](CCCCCF)CC1 ZINC000352484394 181029313 /nfs/dbraw/zinc/02/93/13/181029313.db2.gz OPKCPFVTGBSTFS-UHFFFAOYSA-N 1 0 216.275 2.454 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000639144096 353851080 /nfs/dbraw/zinc/85/10/80/353851080.db2.gz GSILZGIFVBBSEZ-LPWJVIDDSA-N 1 0 241.400 2.451 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000123701106 181033227 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/nfs/dbraw/zinc/04/90/90/354049090.db2.gz IVBUWKGREQBHPM-UHFFFAOYSA-N 1 0 234.347 2.446 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1 ZINC000336739264 181060844 /nfs/dbraw/zinc/06/08/44/181060844.db2.gz SGUXFASYIVATNS-SKDRFNHKSA-N 1 0 204.317 2.457 20 30 BEEDRO CC#CC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344068573 354131386 /nfs/dbraw/zinc/13/13/86/354131386.db2.gz JXHYVSMUIQJQGE-UHFFFAOYSA-N 1 0 242.322 2.030 20 30 BEEDRO N#Cc1c(C[NH+]2CCCC2)cn2ccccc12 ZINC000297331059 181072964 /nfs/dbraw/zinc/07/29/64/181072964.db2.gz JKALGNXTVBPGAE-UHFFFAOYSA-N 1 0 225.295 2.407 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000336462196 181070115 /nfs/dbraw/zinc/07/01/15/181070115.db2.gz WWLGHIBHIINGBW-FZMZJTMJSA-N 1 0 226.323 2.436 20 30 BEEDRO N#Cc1c(F)cccc1NC1CCC([NH3+])CC1 ZINC000091843600 181076262 /nfs/dbraw/zinc/07/62/62/181076262.db2.gz CQOIFQQVLCQHCL-UHFFFAOYSA-N 1 0 233.290 2.379 20 30 BEEDRO N#Cc1c(F)cccc1NCC[C@H]1CC[NH2+]C1 ZINC000110798620 181076609 /nfs/dbraw/zinc/07/66/09/181076609.db2.gz XVAPZZYOQRVMBT-SNVBAGLBSA-N 1 0 233.290 2.109 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CNc1cnccc1C#N ZINC000232892236 354158078 /nfs/dbraw/zinc/15/80/78/354158078.db2.gz AOVXUEANMBAOIC-CYBMUJFWSA-N 1 0 244.342 2.143 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CCC1CC1 ZINC000449698157 202005294 /nfs/dbraw/zinc/00/52/94/202005294.db2.gz NBRZLSWRQMTFNS-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449728031 202008634 /nfs/dbraw/zinc/00/86/34/202008634.db2.gz SRRBZHSRHXXURJ-WDEREUQCSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000449734620 202010766 /nfs/dbraw/zinc/01/07/66/202010766.db2.gz NJOXGCWCFUQKRF-YNEHKIRRSA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000449729893 202011452 /nfs/dbraw/zinc/01/14/52/202011452.db2.gz CETLYKZJMCDLLG-INIZCTEOSA-N 1 0 237.368 2.480 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000449736810 202013839 /nfs/dbraw/zinc/01/38/39/202013839.db2.gz WKHBAHRZMHSZBW-UHFFFAOYSA-N 1 0 246.310 2.187 20 30 BEEDRO COCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000449743155 202017101 /nfs/dbraw/zinc/01/71/01/202017101.db2.gz VGYYZZQDTJVOIS-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000344286359 354203738 /nfs/dbraw/zinc/20/37/38/354203738.db2.gz SVCMHFJYQSRDRA-UHFFFAOYSA-N 1 0 228.299 2.346 20 30 BEEDRO Cc1cccc2ncc(C[NH2+]CCCC#N)n21 ZINC000344310290 354218768 /nfs/dbraw/zinc/21/87/68/354218768.db2.gz VHGPHXNHGXCYJP-UHFFFAOYSA-N 1 0 228.299 2.036 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000344304928 354215333 /nfs/dbraw/zinc/21/53/33/354215333.db2.gz OKPLYGVDGXOROL-TZMCWYRMSA-N 1 0 244.338 2.393 20 30 BEEDRO N#Cc1cc(F)ccc1NC[C@@H]1CCC[NH2+]C1 ZINC000111027306 181088271 /nfs/dbraw/zinc/08/82/71/181088271.db2.gz CQALPTJHNNKAES-SNVBAGLBSA-N 1 0 233.290 2.109 20 30 BEEDRO N#CCCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000344363036 354242719 /nfs/dbraw/zinc/24/27/19/354242719.db2.gz SMTHPBHLNRIXEM-UHFFFAOYSA-N 1 0 240.310 2.266 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]1CC ZINC000328268643 324367998 /nfs/dbraw/zinc/36/79/98/324367998.db2.gz NCPSBJPFUGGPRR-ZIAGYGMSSA-N 1 0 222.376 2.110 20 30 BEEDRO COCCOc1cccc(C[NH2+]CCCC#N)c1 ZINC000344331120 354227125 /nfs/dbraw/zinc/22/71/25/354227125.db2.gz AJEVIFZJNDECCG-UHFFFAOYSA-N 1 0 248.326 2.105 20 30 BEEDRO C=CCCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000344525387 354278835 /nfs/dbraw/zinc/27/88/35/354278835.db2.gz UKBRZJYIXJBNGY-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000577972682 366153916 /nfs/dbraw/zinc/15/39/16/366153916.db2.gz XNQIUBULULULBW-UHFFFAOYSA-N 1 0 246.358 2.001 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCOC(F)F)s1 ZINC000336661948 181108396 /nfs/dbraw/zinc/10/83/96/181108396.db2.gz CUYFFTQMDXWPBC-UHFFFAOYSA-N 1 0 246.282 2.339 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2(O)CCC2)c(F)c1 ZINC000283824129 181108431 /nfs/dbraw/zinc/10/84/31/181108431.db2.gz DFEBXAFXPVYOOX-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2cccnc2)cc1 ZINC000020140890 181109090 /nfs/dbraw/zinc/10/90/90/181109090.db2.gz GXXHYTBDZRUJNP-UHFFFAOYSA-N 1 0 223.279 2.243 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC000086873374 181110277 /nfs/dbraw/zinc/11/02/77/181110277.db2.gz QWHMMHSNVYLXJR-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCSC2)cc1 ZINC000037748243 181110278 /nfs/dbraw/zinc/11/02/78/181110278.db2.gz RTUZUTSIXQBGDV-LBPRGKRZSA-N 1 0 218.325 2.153 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CCO)C2)cc1 ZINC000051895562 181103151 /nfs/dbraw/zinc/10/31/51/181103151.db2.gz NAGLJVWMYWOTPR-CQSZACIVSA-N 1 0 244.338 2.153 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000368499100 181103713 /nfs/dbraw/zinc/10/37/13/181103713.db2.gz NCVCCMNHQUKYPE-HNNXBMFYSA-N 1 0 242.322 2.313 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(F)c1 ZINC000334358549 181103832 /nfs/dbraw/zinc/10/38/32/181103832.db2.gz SURWNTDFRUKKJR-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000051895564 181103862 /nfs/dbraw/zinc/10/38/62/181103862.db2.gz NAGLJVWMYWOTPR-AWEZNQCLSA-N 1 0 244.338 2.153 20 30 BEEDRO N#Cc1ccc(NCC[C@H]2CC[NH2+]C2)c(F)c1 ZINC000110798166 181121280 /nfs/dbraw/zinc/12/12/80/181121280.db2.gz CVIRGURLGQJJNQ-SNVBAGLBSA-N 1 0 233.290 2.109 20 30 BEEDRO N#Cc1ccc(F)c(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000310629040 181112445 /nfs/dbraw/zinc/11/24/45/181112445.db2.gz MBHHOXLXLLKCID-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCO[C@@H](CF)C2)cc1 ZINC000334644633 354402746 /nfs/dbraw/zinc/40/27/46/354402746.db2.gz DKHNUUIJGCIGOJ-AWEZNQCLSA-N 1 0 248.301 2.119 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1Cc2ccccc2C1 ZINC000334679677 354425354 /nfs/dbraw/zinc/42/53/54/354425354.db2.gz WRULZDBHYNILQC-CABCVRRESA-N 1 0 229.323 2.087 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000077204528 181137956 /nfs/dbraw/zinc/13/79/56/181137956.db2.gz SDHSFLPLYAHDGX-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000218998954 181138093 /nfs/dbraw/zinc/13/80/93/181138093.db2.gz ZKNATPYNFYSSBX-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO CC[NH+]1C[C@@H](C)N(CC2(C#N)CCC2)[C@H](C)C1 ZINC000334729959 354529252 /nfs/dbraw/zinc/52/92/52/354529252.db2.gz LPBPRBVRWDFFNS-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[NH+]1C[C@H](C)N(CC2(C#N)CCC2)[C@@H](C)C1 ZINC000334729960 354529666 /nfs/dbraw/zinc/52/96/66/354529666.db2.gz LPBPRBVRWDFFNS-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCOCC2CC2)c1 ZINC000224523312 181138464 /nfs/dbraw/zinc/13/84/64/181138464.db2.gz ICUYQXDXSJWCKH-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1F ZINC000334741085 354544570 /nfs/dbraw/zinc/54/45/70/354544570.db2.gz ZQYGURDVODTXOU-GWCFXTLKSA-N 1 0 243.285 2.479 20 30 BEEDRO N#Cc1cccc(C[NH2+]Cc2cccnc2)c1 ZINC000020140696 181137810 /nfs/dbraw/zinc/13/78/10/181137810.db2.gz WRNPZESXESSDKU-UHFFFAOYSA-N 1 0 223.279 2.243 20 30 BEEDRO N#Cc1ccccc1CN1CCO[C@@H]2CCC[C@H]21 ZINC000226925241 181145741 /nfs/dbraw/zinc/14/57/41/181145741.db2.gz NVHAGPJIFNQDST-HUUCEWRRSA-N 1 0 242.322 2.312 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000275034537 181145206 /nfs/dbraw/zinc/14/52/06/181145206.db2.gz DBFWMZWRKHODNA-WFASDCNBSA-N 1 0 244.338 2.199 20 30 BEEDRO CCOCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000087325292 354731504 /nfs/dbraw/zinc/73/15/04/354731504.db2.gz CKIXSUPRUYWXIR-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO C=CCCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000345523971 354672187 /nfs/dbraw/zinc/67/21/87/354672187.db2.gz OQMVTGGOGWIXMX-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCCC[N@@H+](CC)CC(=O)OC ZINC000233448852 363402552 /nfs/dbraw/zinc/40/25/52/363402552.db2.gz DQFVXXMZHOLTPS-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=CCCCC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000345910853 354806111 /nfs/dbraw/zinc/80/61/11/354806111.db2.gz SCMXXXRBQLUKEH-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCOc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000346063608 354851638 /nfs/dbraw/zinc/85/16/38/354851638.db2.gz GZXBYLFYQRUPMG-CQSZACIVSA-N 1 0 246.354 2.175 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)nc1C ZINC000335150880 354864202 /nfs/dbraw/zinc/86/42/02/354864202.db2.gz SZRUZKIUPHVORM-CHWSQXEVSA-N 1 0 229.327 2.480 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)nc1C ZINC000335150886 354864283 /nfs/dbraw/zinc/86/42/83/354864283.db2.gz SZRUZKIUPHVORM-STQMWFEESA-N 1 0 229.327 2.480 20 30 BEEDRO C[C@@H](O)C[N@H+](C)CCCCC(C)(C)C#N ZINC000235244855 363440335 /nfs/dbraw/zinc/44/03/35/363440335.db2.gz BWCZRXPRJGOFEA-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000235281054 363441087 /nfs/dbraw/zinc/44/10/87/363441087.db2.gz HFDHBWQVQIGICO-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO COCC[N@H+](C)CCCCC(C)(C)C#N ZINC000234618932 363426233 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355342316 /nfs/dbraw/zinc/34/23/16/355342316.db2.gz IFIXEMBYAMGXFO-JQWIXIFHSA-N 1 0 238.356 2.132 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639273362 355346006 /nfs/dbraw/zinc/34/60/06/355346006.db2.gz BMKZXFILGHUWLQ-YFKTTZPYSA-N 1 0 227.373 2.061 20 30 BEEDRO C=CCCCCCNC(=O)CC1CC[NH2+]CC1 ZINC000583510529 355347240 /nfs/dbraw/zinc/34/72/40/355347240.db2.gz UUBNXSUEOMMXMN-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000639275687 355352045 /nfs/dbraw/zinc/35/20/45/355352045.db2.gz QMQVVBZYMWDXKH-XDQVBPFNSA-N 1 0 241.375 2.228 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1CCSCC1 ZINC000639276097 355353660 /nfs/dbraw/zinc/35/36/60/355353660.db2.gz VPAFHWZOULXPQA-STQMWFEESA-N 1 0 241.400 2.310 20 30 BEEDRO C=CCCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000102216677 355356466 /nfs/dbraw/zinc/35/64/66/355356466.db2.gz LZFJYYRKRLDGEM-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H](CCO)C1 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C=CCC1([NH2+]CCC[C@H]2CCO2)CCOCC1 ZINC000639315745 355707890 /nfs/dbraw/zinc/70/78/90/355707890.db2.gz SXUKDXGASXYNEW-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000353243454 355684549 /nfs/dbraw/zinc/68/45/49/355684549.db2.gz MAZNDUHLXZWCPQ-MELADBBJSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CC[C@H]1SC ZINC000425340443 191812376 /nfs/dbraw/zinc/81/23/76/191812376.db2.gz FALGHCIOYSHLMI-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccs1 ZINC000053099636 355761303 /nfs/dbraw/zinc/76/13/03/355761303.db2.gz XGRUTQGYRIPICL-UHFFFAOYSA-N 1 0 211.330 2.383 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639335514 355766577 /nfs/dbraw/zinc/76/65/77/355766577.db2.gz SQDRZZHSPOJMHP-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639344307 355787455 /nfs/dbraw/zinc/78/74/55/355787455.db2.gz XCJJMLIENPPILI-OLZOCXBDSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000639349269 355790484 /nfs/dbraw/zinc/79/04/84/355790484.db2.gz WXALEWRVTSPKMX-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000639347661 355794763 /nfs/dbraw/zinc/79/47/63/355794763.db2.gz JPBRMUMRSYEXCG-LLVKDONJSA-N 1 0 218.300 2.185 20 30 BEEDRO C#CCOc1ccccc1C[N@H+](C)CC=C ZINC000106861306 355796223 /nfs/dbraw/zinc/79/62/23/355796223.db2.gz ZLOLWEBBKQSVTH-UHFFFAOYSA-N 1 0 215.296 2.316 20 30 BEEDRO C=CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631646552 355845872 /nfs/dbraw/zinc/84/58/72/355845872.db2.gz JUKQVRPTOMLMCE-SRVKXCTJSA-N 1 0 207.317 2.110 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCC1CCOCC1 ZINC000389346864 355979113 /nfs/dbraw/zinc/97/91/13/355979113.db2.gz VIPIGJSTHRIXNB-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000351472194 355997083 /nfs/dbraw/zinc/99/70/83/355997083.db2.gz OVMPPKNESARORX-RDBSUJKOSA-N 1 0 246.358 2.458 20 30 BEEDRO C[C@H](CCC#N)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000351488724 355999221 /nfs/dbraw/zinc/99/92/21/355999221.db2.gz ASTPFNSJUVHXLJ-KGLIPLIRSA-N 1 0 237.391 2.485 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000191988970 355945170 /nfs/dbraw/zinc/94/51/70/355945170.db2.gz BQECYLIMJHAZSE-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000351222306 355962834 /nfs/dbraw/zinc/96/28/34/355962834.db2.gz HIPSIXOBJXTWQW-AWEZNQCLSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCCN1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748003 355970969 /nfs/dbraw/zinc/97/09/69/355970969.db2.gz CGANTCBWMPZHGQ-BDAKNGLRSA-N 1 0 223.238 2.214 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000351273177 355971317 /nfs/dbraw/zinc/97/13/17/355971317.db2.gz VTBJCRCDLHZXRT-CHWSQXEVSA-N 1 0 229.364 2.059 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000351642978 356041358 /nfs/dbraw/zinc/04/13/58/356041358.db2.gz HMUKDXHTWLNDJS-QWRGUYRKSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000351597145 356017577 /nfs/dbraw/zinc/01/75/77/356017577.db2.gz UEXMGFBKFQBTRE-ZNMIVQPWSA-N 1 0 231.339 2.317 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000351738482 356076259 /nfs/dbraw/zinc/07/62/59/356076259.db2.gz WLTFEVILXOHBSI-NSHDSACASA-N 1 0 207.321 2.379 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000418090195 191966691 /nfs/dbraw/zinc/96/66/91/191966691.db2.gz DJRZGSZDJCDCLQ-ZDUSSCGKSA-N 1 0 212.296 2.448 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1C ZINC000351824651 356092143 /nfs/dbraw/zinc/09/21/43/356092143.db2.gz RNZFQNHFKFOERX-KGLIPLIRSA-N 1 0 249.358 2.114 20 30 BEEDRO C=CC(C)(C)CNC(=O)NCC([NH3+])(CC)CC ZINC000418245718 192004815 /nfs/dbraw/zinc/00/48/15/192004815.db2.gz FANVGWFXIRICAV-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO C=C(C)CC[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000351892682 356158811 /nfs/dbraw/zinc/15/88/11/356158811.db2.gz SNLNGJAHMNRYDO-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000617616619 356191078 /nfs/dbraw/zinc/19/10/78/356191078.db2.gz ALQKHYWCWCFDKW-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCC2CCOCC2)C1 ZINC000351915889 356205100 /nfs/dbraw/zinc/20/51/00/356205100.db2.gz SHLFWJARPDVZHW-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1ccnc(NC[C@H]2CCC[C@@H]([NH3+])C2)c1C#N ZINC000420275805 192198764 /nfs/dbraw/zinc/19/87/64/192198764.db2.gz GWIDRQRRVHARLT-NWDGAFQWSA-N 1 0 244.342 2.191 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC000639494462 356318824 /nfs/dbraw/zinc/31/88/24/356318824.db2.gz IAJLHAAPUAGBFJ-CYBMUJFWSA-N 1 0 248.374 2.444 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617761965 356319452 /nfs/dbraw/zinc/31/94/52/356319452.db2.gz CZAVREBCKJIDCU-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)CCOCC[NH+]1CCC(F)(C#N)CC1 ZINC000352459420 356360896 /nfs/dbraw/zinc/36/08/96/356360896.db2.gz YIWVDBQHBLYODQ-UHFFFAOYSA-N 1 0 242.338 2.377 20 30 BEEDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccc(C#N)cc1 ZINC000420355248 192219075 /nfs/dbraw/zinc/21/90/75/192219075.db2.gz BXIMLNDMDRWDRM-LALPHHSUSA-N 1 0 243.354 2.034 20 30 BEEDRO C=CCC[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190695643 356450299 /nfs/dbraw/zinc/45/02/99/356450299.db2.gz LTJKIOWXYSJGPQ-UHFFFAOYSA-N 1 0 234.347 2.123 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000049480426 356462826 /nfs/dbraw/zinc/46/28/26/356462826.db2.gz VFNLFGIJUWDRQS-UHFFFAOYSA-N 1 0 249.314 2.048 20 30 BEEDRO COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)C#N)C2 ZINC000190522253 356447056 /nfs/dbraw/zinc/44/70/56/356447056.db2.gz HEOXGCOSVJOTSN-WCQYABFASA-N 1 0 244.338 2.302 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000179334316 366243343 /nfs/dbraw/zinc/24/33/43/366243343.db2.gz CCFQEALEOPJVEX-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@H]1C[C@@H](O)C1 ZINC000420948212 192275937 /nfs/dbraw/zinc/27/59/37/192275937.db2.gz PHAZTGWQHCJVNJ-BETUJISGSA-N 1 0 235.327 2.081 20 30 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CC(C)CC[C@@H](O)C[N@H+](CCC#N)CC1CC1 ZINC000361300463 134204117 /nfs/dbraw/zinc/20/41/17/134204117.db2.gz LKWITGFWUHLBQV-CQSZACIVSA-N 1 0 238.375 2.409 20 30 BEEDRO N#CC1CC[NH+](C[C@H](O)CC2CCCC2)CC1 ZINC000188632414 357569147 /nfs/dbraw/zinc/56/91/47/357569147.db2.gz HAXUZXRMGSGUOH-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000361642276 134206583 /nfs/dbraw/zinc/20/65/83/134206583.db2.gz IKVJZIZZBCFHFY-ZDUSSCGKSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CCCCCC[NH2+][C@H](CO)C1CCOCC1 ZINC000361599896 134206883 /nfs/dbraw/zinc/20/68/83/134206883.db2.gz AWEYCWHIFOCROK-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCCC[N@H+](CC1CCC1)[C@H](C)CO ZINC000361485470 134205875 /nfs/dbraw/zinc/20/58/75/134205875.db2.gz NTTXVBZAHJCJED-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000361889054 134208240 /nfs/dbraw/zinc/20/82/40/134208240.db2.gz NKXXEUXOFDFYCU-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000362281064 134209658 /nfs/dbraw/zinc/20/96/58/134209658.db2.gz QPNKVTVEQLWWJT-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000362281065 134209758 /nfs/dbraw/zinc/20/97/58/134209758.db2.gz QPNKVTVEQLWWJT-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO CCC[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000132174115 325202819 /nfs/dbraw/zinc/20/28/19/325202819.db2.gz KOXGPJGMPLDXTC-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO C=CC[N@@H+](CCCC(C)(C)C#N)CCOC ZINC000189424297 357640402 /nfs/dbraw/zinc/64/04/02/357640402.db2.gz DXCWJHYDGWXQPR-UHFFFAOYSA-N 1 0 224.348 2.451 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000232527143 357662898 /nfs/dbraw/zinc/66/28/98/357662898.db2.gz OIYIONJPOPWWBT-NEPJUHHUSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000232527281 357663426 /nfs/dbraw/zinc/66/34/26/357663426.db2.gz OIYIONJPOPWWBT-NWDGAFQWSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@](C)(O)C1 ZINC000232529912 357664434 /nfs/dbraw/zinc/66/44/34/357664434.db2.gz YOYAUOPCFPRLDN-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](CCCO)CCCCC(C)(C)C#N ZINC000233445483 357723398 /nfs/dbraw/zinc/72/33/98/357723398.db2.gz SJESMFNOZQNGKF-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO COC(=O)[C@@H](C)[N@H+](CCCCC#N)C1CCC1 ZINC000190090819 357683176 /nfs/dbraw/zinc/68/31/76/357683176.db2.gz HKDJCNNOTDTYLJ-LLVKDONJSA-N 1 0 238.331 2.096 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000232787744 357684644 /nfs/dbraw/zinc/68/46/44/357684644.db2.gz SPRYMSMDUDEGAO-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](O)CC1CCCC1 ZINC000191122950 357751580 /nfs/dbraw/zinc/75/15/80/357751580.db2.gz ACXHRMGNXLABLZ-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191233426 357758985 /nfs/dbraw/zinc/75/89/85/357758985.db2.gz WWALUBZVNDYRCM-JTQLQIEISA-N 1 0 205.305 2.127 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccsc1 ZINC000191757565 357794246 /nfs/dbraw/zinc/79/42/46/357794246.db2.gz CVDLXJDVSXWNTC-UHFFFAOYSA-N 1 0 211.330 2.383 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000369515808 134223059 /nfs/dbraw/zinc/22/30/59/134223059.db2.gz BCSQNBYOQGBHBZ-GFCCVEGCSA-N 1 0 234.343 2.229 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192121347 357823254 /nfs/dbraw/zinc/82/32/54/357823254.db2.gz SIRGJISYYLSAOT-HNNXBMFYSA-N 1 0 243.350 2.273 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192850337 357857132 /nfs/dbraw/zinc/85/71/32/357857132.db2.gz CUPXUPWADFZDJM-UHFFFAOYSA-N 1 0 248.351 2.266 20 30 BEEDRO C[C@@H](O)[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235248176 357858638 /nfs/dbraw/zinc/85/86/38/357858638.db2.gz UPNPELNERMCOKQ-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CCC(C)(C)C#N)C1(C)C ZINC000234795459 357829226 /nfs/dbraw/zinc/82/92/26/357829226.db2.gz ZLPPUYPAYCPUHC-QWRGUYRKSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H](CO)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000235111957 357845942 /nfs/dbraw/zinc/84/59/42/357845942.db2.gz IPPHXFIKDCXXPK-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCCC[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000371375315 134228577 /nfs/dbraw/zinc/22/85/77/134228577.db2.gz NOINZHHXPVNLFF-OAHLLOKOSA-N 1 0 231.339 2.376 20 30 BEEDRO CO[C@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399370339 357905038 /nfs/dbraw/zinc/90/50/38/357905038.db2.gz VHLJLRLYBVWQJY-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NC1CCCC1 ZINC000302736169 134231275 /nfs/dbraw/zinc/23/12/75/134231275.db2.gz DGHMAUMKWPNOAZ-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]C1(C(=O)N(CC)CC)CCCCC1 ZINC000121140044 134231474 /nfs/dbraw/zinc/23/14/74/134231474.db2.gz OZNRGOQVSDJIGT-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#C[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCO ZINC000304332462 134237204 /nfs/dbraw/zinc/23/72/04/134237204.db2.gz VRIJAIBKTMPEJZ-LSDHHAIUSA-N 1 0 244.338 2.141 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000349849323 357986413 /nfs/dbraw/zinc/98/64/13/357986413.db2.gz CAVQXDWEHMHQQL-ZRMMWKCHSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000584476952 357993603 /nfs/dbraw/zinc/99/36/03/357993603.db2.gz VNOHOMYVBQZSIT-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000305669497 134241855 /nfs/dbraw/zinc/24/18/55/134241855.db2.gz JFTWZMBSYVMGGD-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000305089509 134239647 /nfs/dbraw/zinc/23/96/47/134239647.db2.gz OZOPKBIDVHMLSO-CHWSQXEVSA-N 1 0 243.416 2.387 20 30 BEEDRO C/C=C\C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404105473 358051790 /nfs/dbraw/zinc/05/17/90/358051790.db2.gz GLMKBLXSLFSLHS-IHWYPQMZSA-N 1 0 204.248 2.363 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1cc(C)c(O)c(C)c1 ZINC000264071083 535389419 /nfs/dbraw/zinc/38/94/19/535389419.db2.gz DEQABGLDUYRZCC-UHFFFAOYSA-N 1 0 249.358 2.166 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267425506 535390416 /nfs/dbraw/zinc/39/04/16/535390416.db2.gz LIWOIVAMLPCNRO-KBPBESRZSA-N 1 0 245.370 2.274 20 30 BEEDRO CC[N@@H+](CCC#N)CCCOC(C)(C)C ZINC000610681982 358076760 /nfs/dbraw/zinc/07/67/60/358076760.db2.gz AMHAGINOBQVDKA-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(C#N)o1 ZINC000610740615 358133766 /nfs/dbraw/zinc/13/37/66/358133766.db2.gz RZHCYJJDTOKQFS-GHMZBOCLSA-N 1 0 234.299 2.056 20 30 BEEDRO C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813391 358189693 /nfs/dbraw/zinc/18/96/93/358189693.db2.gz FOAGRKHTTBHJSN-GXTWGEPZSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C1CCN(CC#N)CC1 ZINC000610813479 358189713 /nfs/dbraw/zinc/18/97/13/358189713.db2.gz IIUCDBBHLVDBBQ-ZDUSSCGKSA-N 1 0 235.375 2.309 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)[C@H](C)CCC ZINC000134400899 325357170 /nfs/dbraw/zinc/35/71/70/325357170.db2.gz NRUZOYXHPCOXKN-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)c1cccs1 ZINC000134400199 325357270 /nfs/dbraw/zinc/35/72/70/325357270.db2.gz MYWGKFGCJZODTG-SNVBAGLBSA-N 1 0 238.356 2.091 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC[C@H]1CCCCO1 ZINC000224001349 358230954 /nfs/dbraw/zinc/23/09/54/358230954.db2.gz YQOXGTRAZMJOQE-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)CCC ZINC000450696796 202237152 /nfs/dbraw/zinc/23/71/52/202237152.db2.gz LYWIGMABFATPEV-ZDUSSCGKSA-N 1 0 237.343 2.471 20 30 BEEDRO C=C(C)CCNc1ccncc1C(=O)OCC ZINC000450716033 202242497 /nfs/dbraw/zinc/24/24/97/202242497.db2.gz NWPXAQBGKFIJDX-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCCOC1 ZINC000450724059 202246640 /nfs/dbraw/zinc/24/66/40/202246640.db2.gz LCFKOHSZAIDJQY-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](CC)Oc1ccccc1C ZINC000267712337 535423513 /nfs/dbraw/zinc/42/35/13/535423513.db2.gz TWBVGCWFLJMIIG-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000042147962 358518761 /nfs/dbraw/zinc/51/87/61/358518761.db2.gz PVKCULJDUYQFEG-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000610970003 358415977 /nfs/dbraw/zinc/41/59/77/358415977.db2.gz GQGGERPBRNTJLT-HNNXBMFYSA-N 1 0 247.386 2.309 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccnc(C#N)c1 ZINC000610994082 358422780 /nfs/dbraw/zinc/42/27/80/358422780.db2.gz LMSIJCMFRAWMCS-PHIMTYICSA-N 1 0 215.300 2.326 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC#N ZINC000307661921 358440613 /nfs/dbraw/zinc/44/06/13/358440613.db2.gz VNXRUCVOHSURNZ-UKRRQHHQSA-N 1 0 243.354 2.010 20 30 BEEDRO CC[C@H]1C[N@H+](CC(C)(C)CCC#N)CCO1 ZINC000125621623 358543278 /nfs/dbraw/zinc/54/32/78/358543278.db2.gz AMQHOFWGRBNFPM-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCCO1 ZINC000126724726 358554129 /nfs/dbraw/zinc/55/41/29/358554129.db2.gz NWCUOXPEJBVXRZ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000126799945 358554559 /nfs/dbraw/zinc/55/45/59/358554559.db2.gz DWDRDWWQLYVOIR-WDEREUQCSA-N 1 0 226.364 2.234 20 30 BEEDRO C=C(C)CN1CC[NH+](C2CCCC2)CC1 ZINC000045767967 358565146 /nfs/dbraw/zinc/56/51/46/358565146.db2.gz BJPBUGQYDAWTAA-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353235626 358584599 /nfs/dbraw/zinc/58/45/99/358584599.db2.gz CBKWQPZXBJRZCA-GJZGRUSLSA-N 1 0 244.338 2.152 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132355605 358720263 /nfs/dbraw/zinc/72/02/63/358720263.db2.gz GPFFCLWFYVYFBZ-NEPJUHHUSA-N 1 0 247.404 2.144 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CC1(CC#N)CC1 ZINC000231080457 358720999 /nfs/dbraw/zinc/72/09/99/358720999.db2.gz ADCPYDBWRMDOFY-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](C(=O)N[C@H](C)CCC)C1 ZINC000051051338 358742641 /nfs/dbraw/zinc/74/26/41/358742641.db2.gz DJFXUBSODBHBGY-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000134940796 358812125 /nfs/dbraw/zinc/81/21/25/358812125.db2.gz LTBWHTGPKAAZGM-OCCSQVGLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000135015015 358816210 /nfs/dbraw/zinc/81/62/10/358816210.db2.gz LZNUKBCTAJXRCM-BXUZGUMPSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H](O)[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000134733772 358804209 /nfs/dbraw/zinc/80/42/09/358804209.db2.gz PHTWGAMTCOPWGY-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135569119 358844523 /nfs/dbraw/zinc/84/45/23/358844523.db2.gz MIIAKBFWUVACEU-RYUDHWBXSA-N 1 0 227.373 2.159 20 30 BEEDRO N#CCCN1CC[NH+](CCCC2CCCC2)CC1 ZINC000611175193 358913590 /nfs/dbraw/zinc/91/35/90/358913590.db2.gz YPXQVNCDEAWBTL-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccccc1F ZINC000308807432 491138291 /nfs/dbraw/zinc/13/82/91/491138291.db2.gz PAMYWFULMJKUBM-UHFFFAOYSA-N 1 0 209.264 2.118 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000611179341 358926830 /nfs/dbraw/zinc/92/68/30/358926830.db2.gz AWEFTGSYRUEFFL-VIFPVBQESA-N 1 0 202.248 2.267 20 30 BEEDRO N#CCSCCC[N@H+]1CC[C@H](C(F)F)C1 ZINC000611180490 358929136 /nfs/dbraw/zinc/92/91/36/358929136.db2.gz YJGQJTDIQNHCMC-VIFPVBQESA-N 1 0 234.315 2.220 20 30 BEEDRO N#CCCCC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000611180306 358929297 /nfs/dbraw/zinc/92/92/97/358929297.db2.gz BDWFPURCVXKCEA-UHFFFAOYSA-N 1 0 214.259 2.411 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000578335873 366525601 /nfs/dbraw/zinc/52/56/01/366525601.db2.gz UANZYSSFTHLJJS-ZDUSSCGKSA-N 1 0 202.301 2.447 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000069891031 359035117 /nfs/dbraw/zinc/03/51/17/359035117.db2.gz FKISAHGXQSHTFC-AGIUHOORSA-N 1 0 224.348 2.472 20 30 BEEDRO CCC[NH2+]CCN[C@H](C)c1ccc(C#N)cc1 ZINC000423311341 192698396 /nfs/dbraw/zinc/69/83/96/192698396.db2.gz PNCOUXGEDNJKLX-GFCCVEGCSA-N 1 0 231.343 2.208 20 30 BEEDRO 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C=CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000154136098 201262718 /nfs/dbraw/zinc/26/27/18/201262718.db2.gz MHABPJHDILRKKM-UHFFFAOYSA-N 1 0 232.327 2.006 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1C ZINC000435583756 201277473 /nfs/dbraw/zinc/27/74/73/201277473.db2.gz KYIWNKJWRJDPKA-JSGCOSHPSA-N 1 0 232.327 2.205 20 30 BEEDRO C=C(C)c1cccc([C@H]2COCC[NH2+]2)c1 ZINC000629730226 361668867 /nfs/dbraw/zinc/66/88/67/361668867.db2.gz SXJDHZKAJBRBRL-CYBMUJFWSA-N 1 0 203.285 2.381 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000435737891 201286221 /nfs/dbraw/zinc/28/62/21/201286221.db2.gz MTTQXLNSPPJPTI-DZGCQCFKSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)c1cnn(C[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000629730441 361669718 /nfs/dbraw/zinc/66/97/18/361669718.db2.gz YKTULSVDIMMKPH-AWEZNQCLSA-N 1 0 249.358 2.025 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnc2cc(C)ccn12 ZINC000154790318 201295829 /nfs/dbraw/zinc/29/58/29/201295829.db2.gz VDSAAVUCJPHPFS-UHFFFAOYSA-N 1 0 215.300 2.261 20 30 BEEDRO 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CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000459632593 203323659 /nfs/dbraw/zinc/32/36/59/203323659.db2.gz LTBFJWOXLDRKOY-GSJFWJNXSA-N 1 0 234.299 2.197 20 30 BEEDRO C[N@H+](CCCCC#N)Cc1ccns1 ZINC000404441449 369429427 /nfs/dbraw/zinc/42/94/27/369429427.db2.gz XCDYCFYDLFWQTB-UHFFFAOYSA-N 1 0 209.318 2.269 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000459635051 203326648 /nfs/dbraw/zinc/32/66/48/203326648.db2.gz PCHKKZRZZAOXHU-LPWJVIDDSA-N 1 0 222.332 2.224 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CCO)C(C)C ZINC000230226287 369432752 /nfs/dbraw/zinc/43/27/52/369432752.db2.gz SFTKHLGATJSLPA-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO N#Cc1cccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000405311117 369452205 /nfs/dbraw/zinc/45/22/05/369452205.db2.gz TXVDTXXADBNCQY-WCQYABFASA-N 1 0 243.310 2.014 20 30 BEEDRO N#CCC1(C[NH2+]Cc2[nH]nc3ccccc32)CC1 ZINC000619531861 369464535 /nfs/dbraw/zinc/46/45/35/369464535.db2.gz VWQPHIQOGOTSNC-UHFFFAOYSA-N 1 0 240.310 2.346 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@H]1COCC ZINC000459716079 203340170 /nfs/dbraw/zinc/34/01/70/203340170.db2.gz PLUDRLJRHSPLML-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CN1C1CC1 ZINC000459726761 203342437 /nfs/dbraw/zinc/34/24/37/203342437.db2.gz FNIUBJKASYTBLG-NEPJUHHUSA-N 1 0 235.375 2.141 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000459733149 203343738 /nfs/dbraw/zinc/34/37/38/203343738.db2.gz AGPGHDAUDRKXFS-LOWDOPEQSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000459735434 203346190 /nfs/dbraw/zinc/34/61/90/203346190.db2.gz STDZENKIHIBWLB-WDEREUQCSA-N 1 0 205.305 2.208 20 30 BEEDRO CC1=CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000619554151 369477545 /nfs/dbraw/zinc/47/75/45/369477545.db2.gz SHFLISODBHTLQS-UHFFFAOYSA-N 1 0 213.284 2.105 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000459739708 203348463 /nfs/dbraw/zinc/34/84/63/203348463.db2.gz KXNGUGQBSOERRJ-NEPJUHHUSA-N 1 0 236.340 2.277 20 30 BEEDRO N#CCSCCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763359 203360592 /nfs/dbraw/zinc/36/05/92/203360592.db2.gz CGTBVSFXGYWKPU-WOPDTQHZSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459749276 203353103 /nfs/dbraw/zinc/35/31/03/203353103.db2.gz YJUBBXIXIHYXHS-GFCCVEGCSA-N 1 0 211.349 2.434 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)C#N)C12CCCC2 ZINC000250519196 369538593 /nfs/dbraw/zinc/53/85/93/369538593.db2.gz PLFYZFOWTXEMAX-FRRDWIJNSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1ccc(CN[C@@](C)(C[NH3+])C(C)C)cc1C#N ZINC000600699439 369558026 /nfs/dbraw/zinc/55/80/26/369558026.db2.gz AMTNFQPDXLIGDH-HNNXBMFYSA-N 1 0 245.370 2.330 20 30 BEEDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000600703017 369559770 /nfs/dbraw/zinc/55/97/70/369559770.db2.gz JOEUZNFOMWGQCW-OAHLLOKOSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1ccc(CN2CC[C@H]([NH3+])C[C@H]2C)cc1C#N ZINC000600711089 369561081 /nfs/dbraw/zinc/56/10/81/369561081.db2.gz QXFDDWSWFGUVED-DOMZBBRYSA-N 1 0 243.354 2.178 20 30 BEEDRO Cc1cc(C)c(Cn2ccnc2C#N)c(C)[nH+]1 ZINC000601080169 369588420 /nfs/dbraw/zinc/58/84/20/369588420.db2.gz MUHBLTSHCJIQMB-UHFFFAOYSA-N 1 0 226.283 2.123 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccc(C#N)cc1F ZINC000601304161 369619832 /nfs/dbraw/zinc/61/98/32/369619832.db2.gz LAKSZTPDDOOCPO-HERUPUMHSA-N 1 0 248.301 2.261 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602020649 369737809 /nfs/dbraw/zinc/73/78/09/369737809.db2.gz QNXRTJMCDMJMCJ-TXEJJXNPSA-N 1 0 248.301 2.354 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602005540 369733920 /nfs/dbraw/zinc/73/39/20/369733920.db2.gz YAAJWVDYTQBEQZ-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)[C@@H](C)O1 ZINC000602016823 369735257 /nfs/dbraw/zinc/73/52/57/369735257.db2.gz HVPGNMJRVZAMAF-GPCCPHFNSA-N 1 0 248.301 2.353 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)n1 ZINC000602524634 369805096 /nfs/dbraw/zinc/80/50/96/369805096.db2.gz NWNHSBZVFOFKDH-GFCCVEGCSA-N 1 0 227.311 2.399 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@@H]2CCO2)c(F)c1 ZINC000602539025 369807763 /nfs/dbraw/zinc/80/77/63/369807763.db2.gz PWKDUOLTUKKIEY-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO CC(C)[C@H](C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602555149 369812381 /nfs/dbraw/zinc/81/23/81/369812381.db2.gz CSHIRZPYBIAMEA-LLVKDONJSA-N 1 0 217.316 2.335 20 30 BEEDRO CC1(C)C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602567088 369813492 /nfs/dbraw/zinc/81/34/92/369813492.db2.gz UQQBSADGXWKNRO-JTQLQIEISA-N 1 0 215.300 2.089 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCCC3(CC3)C2)n1 ZINC000602618322 369829029 /nfs/dbraw/zinc/82/90/29/369829029.db2.gz YEGKKUAADFRKHI-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)n1 ZINC000602624294 369830126 /nfs/dbraw/zinc/83/01/26/369830126.db2.gz LQAYDYQVAZEBAO-SMDDNHRTSA-N 1 0 227.311 2.328 20 30 BEEDRO CC1=C[C@@H](C)C[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602641366 369833751 /nfs/dbraw/zinc/83/37/51/369833751.db2.gz AELFEUGUUUTXHF-LLVKDONJSA-N 1 0 227.311 2.351 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602438204 369788695 /nfs/dbraw/zinc/78/86/95/369788695.db2.gz BWTDPKDFEUKOLO-SNVBAGLBSA-N 1 0 203.289 2.184 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602479543 369793171 /nfs/dbraw/zinc/79/31/71/369793171.db2.gz NKRHHJBYIARKNQ-ZDUSSCGKSA-N 1 0 247.367 2.281 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000602509233 369798048 /nfs/dbraw/zinc/79/80/48/369798048.db2.gz PSJYRCHTZUNNJA-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2F)n1 ZINC000602692263 369843217 /nfs/dbraw/zinc/84/32/17/369843217.db2.gz XEWFELADFKCLKL-CHWSQXEVSA-N 1 0 233.290 2.324 20 30 BEEDRO CC[C@H](C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602711324 369845934 /nfs/dbraw/zinc/84/59/34/369845934.db2.gz RDOGKWHFUBLLLO-NSHDSACASA-N 1 0 217.316 2.479 20 30 BEEDRO CC(C)(F)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602711548 369846246 /nfs/dbraw/zinc/84/62/46/369846246.db2.gz PZLPFCXIYVCUIN-UHFFFAOYSA-N 1 0 221.279 2.181 20 30 BEEDRO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000602759790 369849474 /nfs/dbraw/zinc/84/94/74/369849474.db2.gz PACNWZZWKXWXBY-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO CSC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000602922331 369865886 /nfs/dbraw/zinc/86/58/86/369865886.db2.gz HSPYHMANVVBKRJ-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cccc(C#N)n1)CC(C)C ZINC000602694189 369842866 /nfs/dbraw/zinc/84/28/66/369842866.db2.gz HAAUCTQBTPBOPI-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CCO1 ZINC000602697815 369842902 /nfs/dbraw/zinc/84/29/02/369842902.db2.gz MIZSGGOJJIFXIJ-BXUZGUMPSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CCO1 ZINC000602697816 369842946 /nfs/dbraw/zinc/84/29/46/369842946.db2.gz MIZSGGOJJIFXIJ-FZMZJTMJSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[N@@H+]1CCN(Cc2ccccc2C#N)C[C@@H]1C ZINC000110718316 369966357 /nfs/dbraw/zinc/96/63/57/369966357.db2.gz YLRABGVMDCXTNT-ZDUSSCGKSA-N 1 0 243.354 2.084 20 30 BEEDRO CC[C@H]1CN(Cc2ccccc2C#N)CC[C@H]1[NH3+] ZINC000251868643 369979613 /nfs/dbraw/zinc/97/96/13/369979613.db2.gz UFQSZJQAMLYZFZ-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947405 370068261 /nfs/dbraw/zinc/06/82/61/370068261.db2.gz MWIQBDMNIAZEIH-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947406 370069055 /nfs/dbraw/zinc/06/90/55/370069055.db2.gz MWIQBDMNIAZEIH-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621161442 370132767 /nfs/dbraw/zinc/13/27/67/370132767.db2.gz ZLXZMQNUWKKGTO-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO CC1CC[NH+](CCNc2cccnc2C#N)CC1 ZINC000130978492 370553320 /nfs/dbraw/zinc/55/33/20/370553320.db2.gz TWBOPVHPOZFPDR-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000313064133 370566535 /nfs/dbraw/zinc/56/65/35/370566535.db2.gz RCOMOKKOAZDMEY-LLVKDONJSA-N 1 0 236.340 2.134 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cscn1 ZINC000568500115 326359838 /nfs/dbraw/zinc/35/98/38/326359838.db2.gz CXCDNXUSEUPCBY-NHCYSSNCSA-N 1 0 238.356 2.385 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000623751034 371080887 /nfs/dbraw/zinc/08/08/87/371080887.db2.gz FEQDIBVIVUIFCV-XBXGTLAGSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000623786731 371092536 /nfs/dbraw/zinc/09/25/36/371092536.db2.gz GLZYHAFVFDHVOC-MCIONIFRSA-N 1 0 222.376 2.415 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000093279048 371151702 /nfs/dbraw/zinc/15/17/02/371151702.db2.gz QTRASPJNDIMIMI-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623920739 371153159 /nfs/dbraw/zinc/15/31/59/371153159.db2.gz WNBDOSZKYCHAMF-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093419108 371166144 /nfs/dbraw/zinc/16/61/44/371166144.db2.gz GYSCPIBVOGBHBS-LBPRGKRZSA-N 1 0 248.326 2.400 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cnn(C)c1 ZINC000390134001 371187681 /nfs/dbraw/zinc/18/76/81/371187681.db2.gz LDUYDIFYZMUULV-WDEREUQCSA-N 1 0 220.320 2.011 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000093965554 371191107 /nfs/dbraw/zinc/19/11/07/371191107.db2.gz SMVPIKAPRDSDRB-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623959018 371197632 /nfs/dbraw/zinc/19/76/32/371197632.db2.gz DKINGIALPMOXOA-UWVGGRQHSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623993885 371228533 /nfs/dbraw/zinc/22/85/33/371228533.db2.gz HBXBDIBHZHRNGK-AXFHLTTASA-N 1 0 238.356 2.446 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000624003961 371240516 /nfs/dbraw/zinc/24/05/16/371240516.db2.gz PYCGUPFMJIPSQC-XDQVBPFNSA-N 1 0 239.359 2.125 20 30 BEEDRO Cc1nnc(CNCc2cccc(C#N)c2)s1 ZINC000391952222 371353057 /nfs/dbraw/zinc/35/30/57/371353057.db2.gz UOFKLUDQLMRTKG-UHFFFAOYSA-N 1 0 244.323 2.008 20 30 BEEDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000335177622 371530584 /nfs/dbraw/zinc/53/05/84/371530584.db2.gz JZLIGXNIQDLDOI-JQWIXIFHSA-N 1 0 247.317 2.100 20 30 BEEDRO Cc1cc(C[NH+]2CC3(C2)CCOC3)ccc1C#N ZINC000335777714 371543725 /nfs/dbraw/zinc/54/37/25/371543725.db2.gz QRXFXPOLLOTUSX-UHFFFAOYSA-N 1 0 242.322 2.089 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C[C@@H]1C ZINC000161845154 371570186 /nfs/dbraw/zinc/57/01/86/371570186.db2.gz ANQRIKIQVKFRHW-NEPJUHHUSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000161953877 371594703 /nfs/dbraw/zinc/59/47/03/371594703.db2.gz IRHRLPOYPLWVLZ-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C#CC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000132284425 371785672 /nfs/dbraw/zinc/78/56/72/371785672.db2.gz TWWYMXTTZVEUQI-LBPRGKRZSA-N 1 0 205.688 2.030 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000631275223 372064044 /nfs/dbraw/zinc/06/40/44/372064044.db2.gz AALXWBKQQLIWRJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@](CO)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000134331857 372198409 /nfs/dbraw/zinc/19/84/09/372198409.db2.gz UTCKPCMFSKCNPX-AWEZNQCLSA-N 1 0 244.338 2.178 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)CC(F)(F)F ZINC000189360444 259551476 /nfs/dbraw/zinc/55/14/76/259551476.db2.gz URCJWCMDGZPKAN-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)CCCC[NH+](C)C)C1 ZINC000631394759 372333891 /nfs/dbraw/zinc/33/38/91/372333891.db2.gz IYZJSNDVMFXMQB-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@H]1[C@@H](O)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC001643106396 1172434319 /nfs/dbraw/zinc/43/43/19/1172434319.db2.gz FNXDOCVPSQUFSN-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000449523350 205488395 /nfs/dbraw/zinc/48/83/95/205488395.db2.gz XOPNWUDYTYGTHQ-LPWJVIDDSA-N 1 0 207.317 2.108 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000186693434 205723434 /nfs/dbraw/zinc/72/34/34/205723434.db2.gz SSUMQHHHSAPSGE-BFHYXJOUSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC(C)(C)CC1 ZINC000186702696 205724310 /nfs/dbraw/zinc/72/43/10/205724310.db2.gz QJTZSRXMGNXVEC-GFCCVEGCSA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)C2CCCCC2)o1 ZINC000174342982 374184363 /nfs/dbraw/zinc/18/43/63/374184363.db2.gz MVTMFIIBYFNPGV-AWEZNQCLSA-N 1 0 248.326 2.182 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193282235 205981248 /nfs/dbraw/zinc/98/12/48/205981248.db2.gz DWNRWDOJSDLNLC-XQQFMLRXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ncnn1C ZINC000276694569 206027565 /nfs/dbraw/zinc/02/75/65/206027565.db2.gz VDGJUGFJXFZOKT-HBNTYKKESA-N 1 0 222.336 2.066 20 30 BEEDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1ccc(C#N)cc1 ZINC000424381302 206038440 /nfs/dbraw/zinc/03/84/40/206038440.db2.gz YIUKZEABMBVAJY-NILFDRSVSA-N 1 0 243.354 2.479 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000426560180 206053097 /nfs/dbraw/zinc/05/30/97/206053097.db2.gz OUHNTBCEWUMWLB-ZDUSSCGKSA-N 1 0 246.358 2.083 20 30 BEEDRO CC#CC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459545016 206132573 /nfs/dbraw/zinc/13/25/73/206132573.db2.gz RNKPBTKESSATBZ-CYBMUJFWSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459545017 206132734 /nfs/dbraw/zinc/13/27/34/206132734.db2.gz RNKPBTKESSATBZ-ZDUSSCGKSA-N 1 0 223.360 2.177 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001643814299 1172496703 /nfs/dbraw/zinc/49/67/03/1172496703.db2.gz HIGJBJZWLGPMCH-FVCCEPFGSA-N 1 0 209.333 2.044 20 30 BEEDRO OC[C@@H]([NH2+]CC#Cc1ccccc1)C1CCCC1 ZINC000289505616 183107223 /nfs/dbraw/zinc/10/72/23/183107223.db2.gz LGVZJBMGSWUFBF-MRXNPFEDSA-N 1 0 243.350 2.179 20 30 BEEDRO OC[C@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156125686 183147334 /nfs/dbraw/zinc/14/73/34/183147334.db2.gz RYDWVZRLZPSQRQ-OAHLLOKOSA-N 1 0 247.313 2.024 20 30 BEEDRO CCC[N@H+](C)CCOc1ccccc1C#N ZINC000034674584 169077546 /nfs/dbraw/zinc/07/75/46/169077546.db2.gz SDHOMVDICGNDPG-UHFFFAOYSA-N 1 0 218.300 2.279 20 30 BEEDRO O[C@@H]1CCC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000176979489 183191679 /nfs/dbraw/zinc/19/16/79/183191679.db2.gz CIYLKBIJVMANMQ-CQSZACIVSA-N 1 0 249.741 2.148 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(C#N)o1 ZINC000353088968 169127403 /nfs/dbraw/zinc/12/74/03/169127403.db2.gz DDKMBLQPQMOHNZ-LBPRGKRZSA-N 1 0 249.358 2.361 20 30 BEEDRO CCCN(CCC[NH+](C)C)c1ccc(C#N)cn1 ZINC000190399181 169155161 /nfs/dbraw/zinc/15/51/61/169155161.db2.gz OMYAVBPJGFQSJS-UHFFFAOYSA-N 1 0 246.358 2.121 20 30 BEEDRO CCCN(CCC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000290582019 169156846 /nfs/dbraw/zinc/15/68/46/169156846.db2.gz URNMZBUPABACHZ-UHFFFAOYSA-N 1 0 249.358 2.315 20 30 BEEDRO CCCN(c1ccc(F)cc1C#N)[C@@H]1CC[NH2+]C1 ZINC000111027617 169182915 /nfs/dbraw/zinc/18/29/15/169182915.db2.gz IPCGLNQTJHWHAW-CYBMUJFWSA-N 1 0 247.317 2.276 20 30 BEEDRO CCC[C@@H](C[NH2+]Cc1ccc(C#N)o1)OC ZINC000293620212 169384500 /nfs/dbraw/zinc/38/45/00/169384500.db2.gz IGZDHDIGLGCGHC-NSHDSACASA-N 1 0 222.288 2.056 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@@H](C)C(N)=O ZINC000059321906 1172529102 /nfs/dbraw/zinc/52/91/02/1172529102.db2.gz HXDOHMKKQFQQSX-MNOVXSKESA-N 1 0 214.353 2.199 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC001644645678 1172579646 /nfs/dbraw/zinc/57/96/46/1172579646.db2.gz MMCVQUCPGQQVHH-QWHCGFSZSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCC[NH+]1CCN(CC(C)(F)F)CC1 ZINC001644658049 1172585920 /nfs/dbraw/zinc/58/59/20/1172585920.db2.gz WSPWPSBQPHMNLK-UHFFFAOYSA-N 1 0 232.318 2.225 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC001644718758 1172596719 /nfs/dbraw/zinc/59/67/19/1172596719.db2.gz YKTRWXVOGLJUBH-GFCCVEGCSA-N 1 0 238.375 2.282 20 30 BEEDRO C#CC[N@@H+](C[C@@H](COC)C(C)C)CC1CC1 ZINC001644964772 1172623304 /nfs/dbraw/zinc/62/33/04/1172623304.db2.gz CQHBUODQBJPNTE-AWEZNQCLSA-N 1 0 223.360 2.250 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000227009589 134373141 /nfs/dbraw/zinc/37/31/41/134373141.db2.gz MNSFWTIONPWCQU-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC001644997116 1172626404 /nfs/dbraw/zinc/62/64/04/1172626404.db2.gz WBAYMYMLLIGYEH-RWMBFGLXSA-N 1 0 209.333 2.024 20 30 BEEDRO CSCCC[NH+]1CCC(C)(C#N)CC1 ZINC000227351978 134378585 /nfs/dbraw/zinc/37/85/85/134378585.db2.gz ZKCAJFXMNKSDKG-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CCCCOCC[NH+]1CCC(C)(C#N)CC1 ZINC000227352861 134378680 /nfs/dbraw/zinc/37/86/80/134378680.db2.gz PZLHUPRXOZKUMF-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CCC(C)(C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647144883 383836619 /nfs/dbraw/zinc/83/66/19/383836619.db2.gz IDKXCXZWULJJNF-VIFPVBQESA-N 1 0 221.304 2.348 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)c1nncn1C ZINC000235205568 383847505 /nfs/dbraw/zinc/84/75/05/383847505.db2.gz KCCBYZNZRSMJCT-LLVKDONJSA-N 1 0 222.336 2.212 20 30 BEEDRO CN(Cc1cc(F)ccc1C#N)[C@@H]1CCCOC1 ZINC000334327424 383865391 /nfs/dbraw/zinc/86/53/91/383865391.db2.gz CGOHQAUEIUDIDP-CQSZACIVSA-N 1 0 248.301 2.308 20 30 BEEDRO CC[C@H](CC#N)NCc1ccc(OC)c(C#N)c1 ZINC000087824205 383867284 /nfs/dbraw/zinc/86/72/84/383867284.db2.gz GODGEEXAMSPNIQ-CYBMUJFWSA-N 1 0 243.310 2.349 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000305914985 383918140 /nfs/dbraw/zinc/91/81/40/383918140.db2.gz ARLDMYMSXVOKPF-LLVKDONJSA-N 1 0 232.327 2.461 20 30 BEEDRO CC[NH+](CC)CCSc1ccc(C#N)cn1 ZINC000088734155 383921511 /nfs/dbraw/zinc/92/15/11/383921511.db2.gz TTWZQXIZROVSRK-UHFFFAOYSA-N 1 0 235.356 2.387 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000313131340 383922255 /nfs/dbraw/zinc/92/22/55/383922255.db2.gz CBKGMWCPUUDTGH-RYUDHWBXSA-N 1 0 226.364 2.455 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)C(C)C ZINC000298446357 383896238 /nfs/dbraw/zinc/89/62/38/383896238.db2.gz SPLMSOHYZFOHEV-CYBMUJFWSA-N 1 0 238.375 2.163 20 30 BEEDRO CC(C)[C@@H](Nc1ncccc1C#N)c1ncc[nH]1 ZINC000285536064 383896839 /nfs/dbraw/zinc/89/68/39/383896839.db2.gz HQTARXQJNNSNCW-LLVKDONJSA-N 1 0 241.298 2.486 20 30 BEEDRO CC#CC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000298463157 383901088 /nfs/dbraw/zinc/90/10/88/383901088.db2.gz RTSHCGNFNHAPAD-UHFFFAOYSA-N 1 0 248.301 2.109 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000518527556 383984357 /nfs/dbraw/zinc/98/43/57/383984357.db2.gz BXHQJXGMNTYHMA-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1ccc(C#N)s1 ZINC000339489491 383987957 /nfs/dbraw/zinc/98/79/57/383987957.db2.gz CURUPJUTRCWFMZ-QMMMGPOBSA-N 1 0 212.293 2.457 20 30 BEEDRO CCOc1cccc(C[NH2+]CCCC#N)c1 ZINC000037679943 383995215 /nfs/dbraw/zinc/99/52/15/383995215.db2.gz TUTRQAUGSJOAEG-UHFFFAOYSA-N 1 0 218.300 2.479 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCCO1 ZINC000348195731 383936542 /nfs/dbraw/zinc/93/65/42/383936542.db2.gz XYHGYZLEHASSEC-DOMZBBRYSA-N 1 0 244.338 2.410 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037238329 383961324 /nfs/dbraw/zinc/96/13/24/383961324.db2.gz IEPJWUWPCBZESA-YPMHNXCESA-N 1 0 248.326 2.010 20 30 BEEDRO CCOCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037269033 383968347 /nfs/dbraw/zinc/96/83/47/383968347.db2.gz VHFYNTANQCOMTH-GFCCVEGCSA-N 1 0 248.326 2.276 20 30 BEEDRO Cc1cc(C[N@H+]2CCOC[C@H](C)C2)ccc1C#N ZINC000335001998 384007529 /nfs/dbraw/zinc/00/75/29/384007529.db2.gz JEJRQEDDBMGXKH-GFCCVEGCSA-N 1 0 244.338 2.335 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H](NCC1([NH3+])CCC1)CC2 ZINC000335026065 384011786 /nfs/dbraw/zinc/01/17/86/384011786.db2.gz VRZTWAGGEOOWFL-CQSZACIVSA-N 1 0 241.338 2.017 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000569448425 384051439 /nfs/dbraw/zinc/05/14/39/384051439.db2.gz ABYRFPWYBJACPQ-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000560265031 384028009 /nfs/dbraw/zinc/02/80/09/384028009.db2.gz BKRISPYRJGJGBU-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449153680 384029724 /nfs/dbraw/zinc/02/97/24/384029724.db2.gz KSFKGYMAIARLBV-JXQTWKCFSA-N 1 0 238.375 2.455 20 30 BEEDRO C[NH+](C)C1(CNc2ccc(C#N)cc2)CCC1 ZINC000097932669 384063144 /nfs/dbraw/zinc/06/31/44/384063144.db2.gz ZYSPIQPOJUJJFT-UHFFFAOYSA-N 1 0 229.327 2.454 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000229898539 259643977 /nfs/dbraw/zinc/64/39/77/259643977.db2.gz FRIMLVANVAKKNR-JTQLQIEISA-N 1 0 248.292 2.015 20 30 BEEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)cc1)C(C)(C)O ZINC000289321455 384075465 /nfs/dbraw/zinc/07/54/65/384075465.db2.gz KBKBSGGNXVXFDD-LLVKDONJSA-N 1 0 232.327 2.149 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)s1)OC ZINC000289422008 384099249 /nfs/dbraw/zinc/09/92/49/384099249.db2.gz BPQBEHPKGZNASI-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO CC[C@H](C)N(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810527 134390781 /nfs/dbraw/zinc/39/07/81/134390781.db2.gz GMCGZXAMTSWNKG-MELADBBJSA-N 1 0 237.391 2.389 20 30 BEEDRO C#CCCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000362427275 533035217 /nfs/dbraw/zinc/03/52/17/533035217.db2.gz AVTGCXOUEWSZPS-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C(=O)OC)CC1 ZINC000188686935 384123302 /nfs/dbraw/zinc/12/33/02/384123302.db2.gz GXDRXWFQFHEACZ-WDEREUQCSA-N 1 0 225.332 2.130 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccncc1C ZINC000294941687 533034182 /nfs/dbraw/zinc/03/41/82/533034182.db2.gz BTGRKVARTSXXQM-UHFFFAOYSA-N 1 0 202.301 2.283 20 30 BEEDRO CC[C@H]1C[N@H+](CCC(C)(C)C#N)CCCO1 ZINC000304179316 384152437 /nfs/dbraw/zinc/15/24/37/384152437.db2.gz VRIMSQQOCQAIGE-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000449518119 384157515 /nfs/dbraw/zinc/15/75/15/384157515.db2.gz ILHJIVBTQJNFGV-RFQIPJPRSA-N 1 0 239.359 2.123 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cc(C)ccc1O ZINC000070955721 384143648 /nfs/dbraw/zinc/14/36/48/384143648.db2.gz NFSJYNBLHDEXAG-LBPRGKRZSA-N 1 0 218.300 2.483 20 30 BEEDRO C#CCCC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000181832640 533041321 /nfs/dbraw/zinc/04/13/21/533041321.db2.gz JSVMWVQSUDTITH-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000362452392 533044423 /nfs/dbraw/zinc/04/44/23/533044423.db2.gz QBAYFMPEKRQYNN-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)Nc1cnccc1C#N ZINC000135597376 384193576 /nfs/dbraw/zinc/19/35/76/384193576.db2.gz QEKUAUANUUJSJY-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](CNc2cnccc2C#N)C1 ZINC000135602555 384194922 /nfs/dbraw/zinc/19/49/22/384194922.db2.gz NCXBTOKGCXNCAZ-LBPRGKRZSA-N 1 0 244.342 2.095 20 30 BEEDRO C[C@@H](O)C[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000336594756 384238084 /nfs/dbraw/zinc/23/80/84/384238084.db2.gz WDBXYNMEWZQVFQ-GFCCVEGCSA-N 1 0 242.322 2.028 20 30 BEEDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000313150520 384240277 /nfs/dbraw/zinc/24/02/77/384240277.db2.gz LDTBHNKIQSNRGB-VXGBXAGGSA-N 1 0 238.356 2.259 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000560590748 384245086 /nfs/dbraw/zinc/24/50/86/384245086.db2.gz KCDALXMVZGCUHU-LBPRGKRZSA-N 1 0 236.359 2.306 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1cc(C#N)ccn1 ZINC000286172254 384245412 /nfs/dbraw/zinc/24/54/12/384245412.db2.gz PNSASKKUAXWEDX-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[NH+](CC)CC(=O)Nc1oc(C)c(C)c1C#N ZINC000073274571 384246693 /nfs/dbraw/zinc/24/66/93/384246693.db2.gz QMFQWLSUZCMRTP-UHFFFAOYSA-N 1 0 249.314 2.048 20 30 BEEDRO CC(C)(C)C[NH2+]Cc1nc(C#N)cs1 ZINC000336683708 384251663 /nfs/dbraw/zinc/25/16/63/384251663.db2.gz JIQZDBSCTIHWQA-UHFFFAOYSA-N 1 0 209.318 2.150 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]Cc1cc(C#N)cs1 ZINC000336699070 384253242 /nfs/dbraw/zinc/25/32/42/384253242.db2.gz ZRSRPKUKUFKJHB-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO Cn1cc(C[NH2+][C@@]2(C)CC=CCC2)cc1C#N ZINC000335239014 384262527 /nfs/dbraw/zinc/26/25/27/384262527.db2.gz FICNUXYZKSTWTB-AWEZNQCLSA-N 1 0 229.327 2.485 20 30 BEEDRO CC(C)=CCC[NH2+]Cc1nc(C#N)cs1 ZINC000336760948 384268571 /nfs/dbraw/zinc/26/85/71/384268571.db2.gz MQHFVBBTZPTYHF-UHFFFAOYSA-N 1 0 221.329 2.461 20 30 BEEDRO CN(C)C(=[NH2+])NCC1(Cc2ccccc2)CCC1 ZINC000159323284 384322418 /nfs/dbraw/zinc/32/24/18/384322418.db2.gz UTIIWOGLVMHFEK-UHFFFAOYSA-N 1 0 245.370 2.276 20 30 BEEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)N(C)C1CC1 ZINC000174357228 384322765 /nfs/dbraw/zinc/32/27/65/384322765.db2.gz MMVFJRUJQIKCRN-GFCCVEGCSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cn[nH]c1 ZINC000229881989 384280247 /nfs/dbraw/zinc/28/02/47/384280247.db2.gz HZENGVLUARRSRB-MRVPVSSYSA-N 1 0 232.312 2.194 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cn[nH]c1 ZINC000229881995 384283502 /nfs/dbraw/zinc/28/35/02/384283502.db2.gz HZENGVLUARRSRB-QMMMGPOBSA-N 1 0 232.312 2.194 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](O)C(C)C ZINC000414526170 384290131 /nfs/dbraw/zinc/29/01/31/384290131.db2.gz KRLGOGZHFWGPBO-HUUCEWRRSA-N 1 0 246.354 2.443 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449409430 384294357 /nfs/dbraw/zinc/29/43/57/384294357.db2.gz SZXHIYHIABLKAV-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449409429 384295314 /nfs/dbraw/zinc/29/53/14/384295314.db2.gz SZXHIYHIABLKAV-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449409428 384296356 /nfs/dbraw/zinc/29/63/56/384296356.db2.gz SZXHIYHIABLKAV-AGIUHOORSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000158052657 384300590 /nfs/dbraw/zinc/30/05/90/384300590.db2.gz QRQAAUXXNDMSIU-VIFPVBQESA-N 1 0 204.273 2.382 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000644904708 384335567 /nfs/dbraw/zinc/33/55/67/384335567.db2.gz UNXQCHKFDOJILW-JSGCOSHPSA-N 1 0 233.311 2.073 20 30 BEEDRO C#CCC[NH+]1CCN(Cc2ccc(C)cc2)CC1 ZINC000299733600 384355793 /nfs/dbraw/zinc/35/57/93/384355793.db2.gz YTPPZRWIIFTSEG-UHFFFAOYSA-N 1 0 242.366 2.136 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCC)C1CCCC1 ZINC000313430123 384364083 /nfs/dbraw/zinc/36/40/83/384364083.db2.gz PSJKNKXFXWUXIA-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCCc1ncn(C)n1 ZINC000647325545 384371036 /nfs/dbraw/zinc/37/10/36/384371036.db2.gz ITOBCYDHYALAQS-GFCCVEGCSA-N 1 0 236.363 2.082 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000174428825 384328284 /nfs/dbraw/zinc/32/82/84/384328284.db2.gz JRLOUILTLPTYCP-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174844661 384373290 /nfs/dbraw/zinc/37/32/90/384373290.db2.gz TZQXDMKZBCMHLZ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000045657879 384402576 /nfs/dbraw/zinc/40/25/76/384402576.db2.gz UJNDDHFTDKKKPZ-RYUDHWBXSA-N 1 0 232.327 2.491 20 30 BEEDRO COC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000045696704 384403320 /nfs/dbraw/zinc/40/33/20/384403320.db2.gz FUPVAPWJWRHUEC-JTQLQIEISA-N 1 0 236.290 2.069 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165229272 384403597 /nfs/dbraw/zinc/40/35/97/384403597.db2.gz DFXPSTQCQLMXCE-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@H](C)C[NH2+]Cc1nc(C#N)cs1 ZINC000395095692 384407890 /nfs/dbraw/zinc/40/78/90/384407890.db2.gz CBXRKGIZXMPFPG-QMMMGPOBSA-N 1 0 209.318 2.150 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000313478273 384417889 /nfs/dbraw/zinc/41/78/89/384417889.db2.gz DLXNQHSBFCUMMW-UHFFFAOYSA-N 1 0 229.274 2.204 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000313493768 384420718 /nfs/dbraw/zinc/42/07/18/384420718.db2.gz GTXKJVZHKUHHLN-WDEREUQCSA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000313493765 384420789 /nfs/dbraw/zinc/42/07/89/384420789.db2.gz GTXKJVZHKUHHLN-GHMZBOCLSA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(CC)C[NH2+]C1CCN(C2CC2)CC1 ZINC000313492220 384421803 /nfs/dbraw/zinc/42/18/03/384421803.db2.gz MPTVNXFPBIQYKI-UHFFFAOYSA-N 1 0 208.349 2.169 20 30 BEEDRO Cc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1C#N ZINC000362954052 384380280 /nfs/dbraw/zinc/38/02/80/384380280.db2.gz GEFHKEJUHYIJAJ-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000289870064 384510279 /nfs/dbraw/zinc/51/02/79/384510279.db2.gz LTIPWMSOWFKDOI-LLVKDONJSA-N 1 0 240.310 2.441 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000643794296 384535281 /nfs/dbraw/zinc/53/52/81/384535281.db2.gz WLNLFWAEGMPARK-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccccc1C#N)C1CC1 ZINC000179096892 384517317 /nfs/dbraw/zinc/51/73/17/384517317.db2.gz VOPVKSNZUDZXRW-CQSZACIVSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H](CCO)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000097439825 384519797 /nfs/dbraw/zinc/51/97/97/384519797.db2.gz CNLGCFPIYNZKET-NEPJUHHUSA-N 1 0 232.327 2.227 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000309190432 384547870 /nfs/dbraw/zinc/54/78/70/384547870.db2.gz IIIFFWVNABOSIV-OPRDCNLKSA-N 1 0 235.249 2.098 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCc2ccccc2C1 ZINC000049899716 384576037 /nfs/dbraw/zinc/57/60/37/384576037.db2.gz AJUJJNJILRMJTJ-AWEZNQCLSA-N 1 0 214.312 2.437 20 30 BEEDRO Cc1occc1C[NH+]1CCC(C#N)CC1 ZINC000334846629 384583701 /nfs/dbraw/zinc/58/37/01/384583701.db2.gz DOPWAXPKUYHGAL-UHFFFAOYSA-N 1 0 204.273 2.324 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CCC1 ZINC000565046712 384607145 /nfs/dbraw/zinc/60/71/45/384607145.db2.gz HDBFWXRHZWWSAW-UHFFFAOYSA-N 1 0 245.282 2.451 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000232513285 259655086 /nfs/dbraw/zinc/65/50/86/259655086.db2.gz BWFVCTSXHQOBFK-NEPJUHHUSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(N)nc1 ZINC000647539132 384664899 /nfs/dbraw/zinc/66/48/99/384664899.db2.gz YMOXNNFIZARGQN-GFCCVEGCSA-N 1 0 217.316 2.035 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000289706599 384644345 /nfs/dbraw/zinc/64/43/45/384644345.db2.gz FAUQUCWOAHRLFL-NXEZZACHSA-N 1 0 236.290 2.210 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC000037903010 384645478 /nfs/dbraw/zinc/64/54/78/384645478.db2.gz RSBVMEJDAIPEJE-UHFFFAOYSA-N 1 0 200.285 2.400 20 30 BEEDRO C=CCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000309835153 384652266 /nfs/dbraw/zinc/65/22/66/384652266.db2.gz ZZTWINAWDOODEX-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO C#CCN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735119 384659356 /nfs/dbraw/zinc/65/93/56/384659356.db2.gz ZUGPJNXYNMWFTM-HNNXBMFYSA-N 1 0 234.387 2.064 20 30 BEEDRO C=C(C)CC[N@@H+](CC(=O)OC)C1CCCC1 ZINC000160207554 384659433 /nfs/dbraw/zinc/65/94/33/384659433.db2.gz DTSGDAGUCPVACD-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO Cc1ccc([C@H](O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000173586936 384696440 /nfs/dbraw/zinc/69/64/40/384696440.db2.gz ITKXAAPNLPGSHU-OAHLLOKOSA-N 1 0 244.338 2.264 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000368051248 384714426 /nfs/dbraw/zinc/71/44/26/384714426.db2.gz LHXUDOQJYHVWJY-DZKIICNBSA-N 1 0 242.366 2.433 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccnn1CC(C)C ZINC000647191540 384717545 /nfs/dbraw/zinc/71/75/45/384717545.db2.gz SHFDICVIBZWARL-LLVKDONJSA-N 1 0 207.321 2.203 20 30 BEEDRO C[C@H](C[NH2+]CC(C)(C)CCC#N)Cn1ccnc1 ZINC000174318243 384775587 /nfs/dbraw/zinc/77/55/87/384775587.db2.gz BONOMZLVGYXTOX-CYBMUJFWSA-N 1 0 248.374 2.439 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000309699655 384740643 /nfs/dbraw/zinc/74/06/43/384740643.db2.gz SJYUWAKRBCCRDM-AVGNSLFASA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000518156668 384749419 /nfs/dbraw/zinc/74/94/19/384749419.db2.gz LZJZZLFJFADUGT-STQMWFEESA-N 1 0 211.349 2.293 20 30 BEEDRO C#CC[N@H+](CC)CCc1ncc(C)cc1C ZINC000491415193 384754241 /nfs/dbraw/zinc/75/42/41/384754241.db2.gz HCQPZIASNSILDM-UHFFFAOYSA-N 1 0 216.328 2.196 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1ccccn1 ZINC000090451018 384821555 /nfs/dbraw/zinc/82/15/55/384821555.db2.gz TXRVFMWLSZCHSL-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc2c1OCO2 ZINC000051753419 384825136 /nfs/dbraw/zinc/82/51/36/384825136.db2.gz NQOPVANPSOELCI-UHFFFAOYSA-N 1 0 205.257 2.081 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309781873 384828252 /nfs/dbraw/zinc/82/82/52/384828252.db2.gz NCFZNQGKQDUMTR-XQHKEYJVSA-N 1 0 222.332 2.083 20 30 BEEDRO CC#CC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000310023861 384789903 /nfs/dbraw/zinc/78/99/03/384789903.db2.gz OLPRNAKGIQIYJG-XQQFMLRXSA-N 1 0 223.360 2.439 20 30 BEEDRO CC[C@H](CC#N)NCc1nc(C)cs1 ZINC000038091449 384793384 /nfs/dbraw/zinc/79/33/84/384793384.db2.gz MQHIOSYBTPQJNM-SECBINFHSA-N 1 0 209.318 2.233 20 30 BEEDRO CCCCN(C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310037190 384802735 /nfs/dbraw/zinc/80/27/35/384802735.db2.gz UWQITPZNVSCYKK-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000104171918 384806846 /nfs/dbraw/zinc/80/68/46/384806846.db2.gz SRJLJIDTKLXOIC-ZDUSSCGKSA-N 1 0 245.370 2.421 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000104174097 384808202 /nfs/dbraw/zinc/80/82/02/384808202.db2.gz FOHAWJZLWDRBTM-CMPLNLGQSA-N 1 0 217.316 2.438 20 30 BEEDRO CCCN(CC)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310029588 384812806 /nfs/dbraw/zinc/81/28/06/384812806.db2.gz QRGDMVNEAHPPIN-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(C)(C)C)C1=O ZINC000518273804 384890004 /nfs/dbraw/zinc/89/00/04/384890004.db2.gz JQICCBKOLUECLL-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO CC[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000083729911 384850913 /nfs/dbraw/zinc/85/09/13/384850913.db2.gz AXLLGSHMGVLZFP-SNVBAGLBSA-N 1 0 218.300 2.455 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1ccc(C#N)cn1 ZINC000071953082 384859153 /nfs/dbraw/zinc/85/91/53/384859153.db2.gz JWWMKRJZMPXHNH-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C[N@H+](CCNc1ncccc1C#N)C1CCCC1 ZINC000071377641 384863087 /nfs/dbraw/zinc/86/30/87/384863087.db2.gz JRPGYYIJISHDMG-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(C)(C)C)C1=O ZINC000518273806 384889301 /nfs/dbraw/zinc/88/93/01/384889301.db2.gz JQICCBKOLUECLL-RYUDHWBXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000193333604 384950301 /nfs/dbraw/zinc/95/03/01/384950301.db2.gz MTCSRQUMCMSZPE-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000193369329 384956484 /nfs/dbraw/zinc/95/64/84/384956484.db2.gz DXHMMYOQWLGMNF-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000297751587 384910023 /nfs/dbraw/zinc/91/00/23/384910023.db2.gz DUJNMHYXDRBDLN-HUUCEWRRSA-N 1 0 229.323 2.319 20 30 BEEDRO C#CC[N@H+](C)CCc1ccccc1Cl ZINC000192238420 384914485 /nfs/dbraw/zinc/91/44/85/384914485.db2.gz RRWDIGOWOMMIFM-UHFFFAOYSA-N 1 0 207.704 2.448 20 30 BEEDRO N#CC1(C[NH2+]Cc2ccccc2)CCC1 ZINC000258669657 384935593 /nfs/dbraw/zinc/93/55/93/384935593.db2.gz OJGGLWRYFPGIDA-UHFFFAOYSA-N 1 0 200.285 2.470 20 30 BEEDRO O[C@@H]1CCC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000127708104 384935616 /nfs/dbraw/zinc/93/56/16/384935616.db2.gz SNLYRQQWCKRTHP-CQSZACIVSA-N 1 0 249.741 2.148 20 30 BEEDRO CC(C)CC[N@H+](CCOCCC#N)C1CC1 ZINC000338906228 384960001 /nfs/dbraw/zinc/96/00/01/384960001.db2.gz DLGXHIAUYXIMEE-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC1(CNC(=O)[C@@H](C)[NH+](C)C)CCCC1 ZINC000635996688 384942061 /nfs/dbraw/zinc/94/20/61/384942061.db2.gz YNXIBVTUCPHKGJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO COc1cc(C[NH2+][C@@H](C)C2CC2)ccc1C#N ZINC000234935711 384968955 /nfs/dbraw/zinc/96/89/55/384968955.db2.gz GNSRAMUOCNVYEN-JTQLQIEISA-N 1 0 230.311 2.455 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C1CCOCC1 ZINC000087595185 384980491 /nfs/dbraw/zinc/98/04/91/384980491.db2.gz QKHYKIRTKJWJBP-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000449698838 384981469 /nfs/dbraw/zinc/98/14/69/384981469.db2.gz PDZIJOCWYANERD-OAHLLOKOSA-N 1 0 244.338 2.283 20 30 BEEDRO CC[C@@H](C[NH2+]CC(C)(C)CCC#N)OC ZINC000336681045 384990840 /nfs/dbraw/zinc/99/08/40/384990840.db2.gz IYTXMXVCLCGIOC-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC#CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000644617915 385008067 /nfs/dbraw/zinc/00/80/67/385008067.db2.gz FCCGNPOVXKBSKV-UHFFFAOYSA-N 1 0 248.301 2.157 20 30 BEEDRO CSCCCC[NH2+]C[C@H](C#N)CCC#N ZINC000569352392 385022947 /nfs/dbraw/zinc/02/29/47/385022947.db2.gz NIRZVKWYRAGTML-NSHDSACASA-N 1 0 225.361 2.163 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)O)ccc1C#N ZINC000451366391 385055094 /nfs/dbraw/zinc/05/50/94/385055094.db2.gz GJZPGTSRWHFJNL-LBPRGKRZSA-N 1 0 246.354 2.458 20 30 BEEDRO C#CC[N@@H+](Cc1conc1C)C1CCCC1 ZINC000491179456 385055774 /nfs/dbraw/zinc/05/57/74/385055774.db2.gz FQZKHVBXBFRKST-UHFFFAOYSA-N 1 0 218.300 2.361 20 30 BEEDRO C=CCC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000157162998 385070018 /nfs/dbraw/zinc/07/00/18/385070018.db2.gz AYQSAGFEQOYZFL-UHFFFAOYSA-N 1 0 232.327 2.090 20 30 BEEDRO CN(Cc1ccc(C#N)o1)CC1([NH+](C)C)CCC1 ZINC000189006040 385072660 /nfs/dbraw/zinc/07/26/60/385072660.db2.gz WOJAAONWOWZGSV-UHFFFAOYSA-N 1 0 247.342 2.067 20 30 BEEDRO Cn1ccc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000165170874 385077855 /nfs/dbraw/zinc/07/78/55/385077855.db2.gz AVLJXNVPXNIVBS-UHFFFAOYSA-N 1 0 219.332 2.445 20 30 BEEDRO C=CCN1CCC[C@H]([N@H+](C)CC=C)CC1 ZINC000156948724 385029525 /nfs/dbraw/zinc/02/95/25/385029525.db2.gz AAXRPHPHOOMGNA-ZDUSSCGKSA-N 1 0 208.349 2.145 20 30 BEEDRO Cc1ccnc(N[C@H](C)CC[NH+](C)C)c1C#N ZINC000135069118 385030848 /nfs/dbraw/zinc/03/08/48/385030848.db2.gz ROTXROMGUZZXIT-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO CC[C@H]([NH2+]CC#CCOC)[C@@H]1CC1(C)C ZINC000642717508 385033043 /nfs/dbraw/zinc/03/30/43/385033043.db2.gz FHCIGMIQNFFULT-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnc(C)s1 ZINC000105462412 385043729 /nfs/dbraw/zinc/04/37/29/385043729.db2.gz FBKIVXPKUMRSRR-UHFFFAOYSA-N 1 0 228.386 2.460 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000177861849 385115909 /nfs/dbraw/zinc/11/59/09/385115909.db2.gz PUMAIHHDIYEPJQ-CQSZACIVSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000424292666 385141988 /nfs/dbraw/zinc/14/19/88/385141988.db2.gz HDSCLNWEYGTANW-DGAVXFQQSA-N 1 0 221.344 2.356 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC(C)([NH3+])CC1 ZINC000646990987 385125546 /nfs/dbraw/zinc/12/55/46/385125546.db2.gz JIBNRDNBQAHWIP-UHFFFAOYSA-N 1 0 236.359 2.095 20 30 BEEDRO CC(F)(F)CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000564858208 385134951 /nfs/dbraw/zinc/13/49/51/385134951.db2.gz ARKJMGXRZHMSIM-SNVBAGLBSA-N 1 0 229.274 2.455 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)O1 ZINC000189231501 385136181 /nfs/dbraw/zinc/13/61/81/385136181.db2.gz AKLOTBNXZCBQLA-VXGBXAGGSA-N 1 0 249.358 2.366 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1C#N ZINC000599264779 385103892 /nfs/dbraw/zinc/10/38/92/385103892.db2.gz NFXFGAIBPRSICC-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599431480 385105850 /nfs/dbraw/zinc/10/58/50/385105850.db2.gz ZKMQMCDWOSUOIX-AWEZNQCLSA-N 1 0 232.327 2.069 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(C#N)s1 ZINC000176968591 385186688 /nfs/dbraw/zinc/18/66/88/385186688.db2.gz UUSCTKUWFQJYQZ-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000648323555 385188989 /nfs/dbraw/zinc/18/89/89/385188989.db2.gz WDZMLFWAADCKEC-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000308834116 385202053 /nfs/dbraw/zinc/20/20/53/385202053.db2.gz HMSURRVKRUSRIO-LLVKDONJSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000152401982 385194817 /nfs/dbraw/zinc/19/48/17/385194817.db2.gz HSLQRERSUGRTJW-GFCCVEGCSA-N 1 0 246.358 2.369 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000152401886 385197064 /nfs/dbraw/zinc/19/70/64/385197064.db2.gz HSLQRERSUGRTJW-LBPRGKRZSA-N 1 0 246.358 2.369 20 30 BEEDRO Cn1cc(C[NH2+]C(C2CC2)C2CC2)cc1C#N ZINC000189578575 385197298 /nfs/dbraw/zinc/19/72/98/385197298.db2.gz ZDERRTLTELHWQT-UHFFFAOYSA-N 1 0 229.327 2.175 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000643348430 385163576 /nfs/dbraw/zinc/16/35/76/385163576.db2.gz JYMBFPCVYYKHCL-AWEZNQCLSA-N 1 0 246.354 2.121 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@H]1C ZINC000189353810 385175579 /nfs/dbraw/zinc/17/55/79/385175579.db2.gz OCTLGJWVBZAPFY-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000129977974 385207933 /nfs/dbraw/zinc/20/79/33/385207933.db2.gz RZTGQBICDVZGLE-SNVBAGLBSA-N 1 0 238.331 2.238 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189590471 385212798 /nfs/dbraw/zinc/21/27/98/385212798.db2.gz DUJZQPUHAUDONP-MNOVXSKESA-N 1 0 219.332 2.421 20 30 BEEDRO CC(C)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189589616 385213075 /nfs/dbraw/zinc/21/30/75/385213075.db2.gz ZFMIYKRKAZQSKN-UHFFFAOYSA-N 1 0 219.332 2.423 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2c[nH]nc21)C(C)C ZINC000491229289 385213613 /nfs/dbraw/zinc/21/36/13/385213613.db2.gz GNFACBSPSFQRHS-ZDUSSCGKSA-N 1 0 227.311 2.310 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000308856386 385217836 /nfs/dbraw/zinc/21/78/36/385217836.db2.gz QEVXSBYMVZYYFI-WDEREUQCSA-N 1 0 204.273 2.104 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000449487650 385228585 /nfs/dbraw/zinc/22/85/85/385228585.db2.gz ZUOCNWYMWOKMOX-WCQYABFASA-N 1 0 222.376 2.271 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCCC(F)(F)F ZINC000308878540 385233498 /nfs/dbraw/zinc/23/34/98/385233498.db2.gz SVHDHVKCJDOGCF-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO CCC1(C[NH2+]Cc2ccc(C#N)cc2)COC1 ZINC000343584444 385246748 /nfs/dbraw/zinc/24/67/48/385246748.db2.gz VRKWWYFKIRWUIK-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO CC#CCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000357595879 385251884 /nfs/dbraw/zinc/25/18/84/385251884.db2.gz NIYYHYUHKVNPMD-ZNMIVQPWSA-N 1 0 234.387 2.347 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)c1nccn1C ZINC000280094844 385254146 /nfs/dbraw/zinc/25/41/46/385254146.db2.gz NWEVUONAOZGSRV-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CC1(CO)CC1 ZINC000190017363 385205754 /nfs/dbraw/zinc/20/57/54/385205754.db2.gz ZUKMGVJPPHVRBF-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000308946062 385306601 /nfs/dbraw/zinc/30/66/01/385306601.db2.gz NSDKYQDHHMYEBW-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343605628 385258844 /nfs/dbraw/zinc/25/88/44/385258844.db2.gz OXNHLNXSBHKCKC-RYUDHWBXSA-N 1 0 232.327 2.114 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000280193565 385274600 /nfs/dbraw/zinc/27/46/00/385274600.db2.gz HGJHUNSBNQSZLO-GARJFASQSA-N 1 0 245.750 2.306 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cscn1 ZINC000280549731 385332845 /nfs/dbraw/zinc/33/28/45/385332845.db2.gz DQLLCAQHXJZROA-JQWIXIFHSA-N 1 0 238.356 2.214 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000158159557 385358072 /nfs/dbraw/zinc/35/80/72/385358072.db2.gz RAWRGSAGUSIWQY-AAEUAGOBSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000309002217 385363218 /nfs/dbraw/zinc/36/32/18/385363218.db2.gz OLOMXNHHCMCCCB-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CC(C(C)C)C1 ZINC000309014067 385368530 /nfs/dbraw/zinc/36/85/30/385368530.db2.gz SXDQBKXJUSODAM-HIFPTAJRSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000179612874 385379683 /nfs/dbraw/zinc/37/96/83/385379683.db2.gz VZZZTRYNMOQJDL-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000309098839 385408596 /nfs/dbraw/zinc/40/85/96/385408596.db2.gz FYZKDZVBNBMEHE-NSHDSACASA-N 1 0 225.719 2.285 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309089940 385411798 /nfs/dbraw/zinc/41/17/98/385411798.db2.gz ASYGOHWVBOBNLY-WYUUTHIRSA-N 1 0 224.373 2.410 20 30 BEEDRO C=CCCOCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000644072535 385418238 /nfs/dbraw/zinc/41/82/38/385418238.db2.gz RCLKMSWZHWMHPZ-NSHDSACASA-N 1 0 248.326 2.238 20 30 BEEDRO C=C(CC)CN(C)CC1([NH+](C)C)CCC1 ZINC000445852587 385419581 /nfs/dbraw/zinc/41/95/81/385419581.db2.gz VDKDHJNCRNVRKD-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO COc1cccc([C@@H](C)NCCC#N)c1 ZINC000020199652 385422227 /nfs/dbraw/zinc/42/22/27/385422227.db2.gz NFSXZGCKUXSMQA-SNVBAGLBSA-N 1 0 204.273 2.259 20 30 BEEDRO CC(C)[C@@H](CNC(=[NH2+])N(C)C)c1ccccc1 ZINC000170906809 385454187 /nfs/dbraw/zinc/45/41/87/385454187.db2.gz UKHIUKMRVQLGJW-CYBMUJFWSA-N 1 0 233.359 2.303 20 30 BEEDRO CC[C@](C)(O)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000170912657 385456713 /nfs/dbraw/zinc/45/67/13/385456713.db2.gz MWNURRNZMBDUCZ-AWEZNQCLSA-N 1 0 249.358 2.191 20 30 BEEDRO CC(C)OCC(C)(C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000396359953 385466113 /nfs/dbraw/zinc/46/61/13/385466113.db2.gz ZADKAZVHOCKFHU-UHFFFAOYSA-N 1 0 249.358 2.190 20 30 BEEDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000341271721 385479281 /nfs/dbraw/zinc/47/92/81/385479281.db2.gz VVBLBAXYQNMSIK-GJZGRUSLSA-N 1 0 244.338 2.463 20 30 BEEDRO CCc1nocc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000378672324 385461282 /nfs/dbraw/zinc/46/12/82/385461282.db2.gz LFNOLGLPMNIHCR-GXSJLCMTSA-N 1 0 219.288 2.019 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)O ZINC000590643820 385505052 /nfs/dbraw/zinc/50/50/52/385505052.db2.gz KSEBOZGPTWVKOR-XSRFYTQQSA-N 1 0 224.348 2.208 20 30 BEEDRO C#C[C@@H]1COCCN1Cc1cccc2ccoc21 ZINC000491374694 385507531 /nfs/dbraw/zinc/50/75/31/385507531.db2.gz SEGGAVJGTGHGOG-CQSZACIVSA-N 1 0 241.290 2.267 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)O1 ZINC000309416865 385574952 /nfs/dbraw/zinc/57/49/52/385574952.db2.gz JIABTUMONNVBCT-GRYCIOLGSA-N 1 0 222.332 2.226 20 30 BEEDRO CCC(C)(C)OCC[NH2+]Cc1ccc(C#N)o1 ZINC000308538064 385577024 /nfs/dbraw/zinc/57/70/24/385577024.db2.gz GYENZJOMLIORJS-UHFFFAOYSA-N 1 0 236.315 2.446 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000273048704 385570542 /nfs/dbraw/zinc/57/05/42/385570542.db2.gz FAHMKOQYVIRMAU-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000181308410 385570664 /nfs/dbraw/zinc/57/06/64/385570664.db2.gz PLQZYXKUVDEGRL-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1ncnn1CC ZINC000309480700 385606249 /nfs/dbraw/zinc/60/62/49/385606249.db2.gz SYFISTFETPZDSG-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CCO1 ZINC000309447882 385586408 /nfs/dbraw/zinc/58/64/08/385586408.db2.gz LTHYOTOZNDGOMC-XQHKEYJVSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H](CO)c1ccsc1 ZINC000336649391 385592723 /nfs/dbraw/zinc/59/27/23/385592723.db2.gz DEIFHFMPUIGNJW-LLVKDONJSA-N 1 0 238.356 2.311 20 30 BEEDRO C#C[C@@H]1COCCN1Cc1cc(C)sc1C ZINC000491711300 385624154 /nfs/dbraw/zinc/62/41/54/385624154.db2.gz UGIUHCSKENJOCH-CYBMUJFWSA-N 1 0 235.352 2.199 20 30 BEEDRO C=C(CC)C[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000451045631 385626703 /nfs/dbraw/zinc/62/67/03/385626703.db2.gz YEYNBHOSOSHNFP-CQSZACIVSA-N 1 0 235.327 2.156 20 30 BEEDRO C=CCOc1ccccc1CNC[C@H](C)C[NH2+]C ZINC000414850246 385632094 /nfs/dbraw/zinc/63/20/94/385632094.db2.gz ZDGBOTOHKODGTJ-CYBMUJFWSA-N 1 0 248.370 2.197 20 30 BEEDRO C[C@@H]1CN([C@H](C#N)c2ccccc2)C[C@H](C)[N@H+]1C ZINC000595504752 385632033 /nfs/dbraw/zinc/63/20/33/385632033.db2.gz ILTKDEWTUKVTFG-VNHYZAJKSA-N 1 0 243.354 2.276 20 30 BEEDRO CCN(C[C@H]1CCCC[N@@H+]1C(C)C)[C@H](C)C#N ZINC000595821621 385639266 /nfs/dbraw/zinc/63/92/66/385639266.db2.gz XKLAZIKHAXONNU-ZIAGYGMSSA-N 1 0 237.391 2.483 20 30 BEEDRO CCCn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC000597175057 385665356 /nfs/dbraw/zinc/66/53/56/385665356.db2.gz VEDLEVPEMMAEJI-CYBMUJFWSA-N 1 0 246.358 2.419 20 30 BEEDRO CC(C)[C@H](C)C[NH2+]Cc1nc(C#N)cs1 ZINC000308929380 385647068 /nfs/dbraw/zinc/64/70/68/385647068.db2.gz DVVNQCDZMXREJE-SECBINFHSA-N 1 0 223.345 2.396 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ncc(C(C)C)s1 ZINC000184271914 385678253 /nfs/dbraw/zinc/67/82/53/385678253.db2.gz HFNZWNVGDXCNMY-JTQLQIEISA-N 1 0 240.372 2.293 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCCOCC1 ZINC000309545794 385678824 /nfs/dbraw/zinc/67/88/24/385678824.db2.gz IAJRRPPHJXZMCO-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000184275823 385679762 /nfs/dbraw/zinc/67/97/62/385679762.db2.gz KMFNMJFTAFMSQS-MNOVXSKESA-N 1 0 240.372 2.429 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000309549436 385681248 /nfs/dbraw/zinc/68/12/48/385681248.db2.gz FJSJQEDBGABDDM-AEJSXWLSSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184669025 385688785 /nfs/dbraw/zinc/68/87/85/385688785.db2.gz WAGHREGVQJHWLE-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO CC#CCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000336653617 385697171 /nfs/dbraw/zinc/69/71/71/385697171.db2.gz GERKIZZSHBFSKM-UHFFFAOYSA-N 1 0 219.332 2.042 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000309569110 385705100 /nfs/dbraw/zinc/70/51/00/385705100.db2.gz MEYJJFMHAJCTJO-GFCCVEGCSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309586393 385710926 /nfs/dbraw/zinc/71/09/26/385710926.db2.gz RWHNVRGTNWTZOD-RYUDHWBXSA-N 1 0 223.316 2.423 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCC12CCCC2 ZINC000336688967 385713637 /nfs/dbraw/zinc/71/36/37/385713637.db2.gz VFOLWKHFTKOUHG-CHWSQXEVSA-N 1 0 223.360 2.483 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000309531562 385666878 /nfs/dbraw/zinc/66/68/78/385666878.db2.gz BXGFFOWIQUSMSP-AAEUAGOBSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185873868 385742233 /nfs/dbraw/zinc/74/22/33/385742233.db2.gz WPNQAJISYIISSN-OLZOCXBDSA-N 1 0 222.332 2.251 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185873808 385742781 /nfs/dbraw/zinc/74/27/81/385742781.db2.gz WPNQAJISYIISSN-QWHCGFSZSA-N 1 0 222.332 2.251 20 30 BEEDRO C#CC[N@H+]1CC=C(c2ccc(C#N)cc2)CC1 ZINC000362617587 533143779 /nfs/dbraw/zinc/14/37/79/533143779.db2.gz RIXCFMPAHCZYNE-UHFFFAOYSA-N 1 0 222.291 2.281 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1COC(=O)NC ZINC000495835278 385765528 /nfs/dbraw/zinc/76/55/28/385765528.db2.gz FMNNKYLUGNDWEF-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CC[C@H](C)O1)C1CCCC1 ZINC000188563183 385769622 /nfs/dbraw/zinc/76/96/22/385769622.db2.gz BJLFJJZZUZYKOM-JSGCOSHPSA-N 1 0 221.344 2.432 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000186696070 385782701 /nfs/dbraw/zinc/78/27/01/385782701.db2.gz ONRAJAFOBKTWPF-BXUZGUMPSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000186699423 385782826 /nfs/dbraw/zinc/78/28/26/385782826.db2.gz IDVVMOQDJYUPAP-AAEUAGOBSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000186706617 385784977 /nfs/dbraw/zinc/78/49/77/385784977.db2.gz GKYYXOQYXBPESZ-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000336689898 385718938 /nfs/dbraw/zinc/71/89/38/385718938.db2.gz KFVZDIPHEWHBLH-FRRDWIJNSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCC[C@@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000336654304 385723224 /nfs/dbraw/zinc/72/32/24/385723224.db2.gz GQCZKYULJXDHOZ-MRVPVSSYSA-N 1 0 238.360 2.308 20 30 BEEDRO CC[C@]1(C)COCC[N@@H+]1C[C@H](C)CCC#N ZINC000602614707 385808637 /nfs/dbraw/zinc/80/86/37/385808637.db2.gz GKTWHVGQLAGFNQ-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602686948 385814288 /nfs/dbraw/zinc/81/42/88/385814288.db2.gz GJTMJQRHIRHMJV-TUUUFIMRSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2(C)CCC2)C[C@H](C)N1CC#N ZINC000602853769 385827626 /nfs/dbraw/zinc/82/76/26/385827626.db2.gz LLRYYLYBRXJEFL-BETUJISGSA-N 1 0 235.375 2.095 20 30 BEEDRO Cc1ccnc(NC[C@@]2(C)CCC[NH2+]C2)c1C#N ZINC000129334135 385837060 /nfs/dbraw/zinc/83/70/60/385837060.db2.gz SNBWROFPWYEQRS-AWEZNQCLSA-N 1 0 244.342 2.063 20 30 BEEDRO C=CCOc1ccc(CNC[C@@H](C)[NH2+]CC)cc1 ZINC000414957208 385844531 /nfs/dbraw/zinc/84/45/31/385844531.db2.gz NYJGNXDESHRCED-CYBMUJFWSA-N 1 0 248.370 2.339 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451909755 385894712 /nfs/dbraw/zinc/89/47/12/385894712.db2.gz LTIMIEQJTUWBTD-AWEZNQCLSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451542465 385866035 /nfs/dbraw/zinc/86/60/35/385866035.db2.gz NPHRJEMCDGVHII-MELADBBJSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451542464 385866071 /nfs/dbraw/zinc/86/60/71/385866071.db2.gz NPHRJEMCDGVHII-IHRRRGAJSA-N 1 0 241.375 2.060 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000373914520 533153684 /nfs/dbraw/zinc/15/36/84/533153684.db2.gz WRLYOJJCJZBPOP-LXTVHRRPSA-N 1 0 235.371 2.271 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC000069087015 533154028 /nfs/dbraw/zinc/15/40/28/533154028.db2.gz IIXYQIPNQJSEAR-CYBMUJFWSA-N 1 0 215.296 2.465 20 30 BEEDRO COCCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000397238070 385948002 /nfs/dbraw/zinc/94/80/02/385948002.db2.gz ZADXDRPETJBMGB-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnc(C)n1C ZINC000518796968 385965656 /nfs/dbraw/zinc/96/56/56/385965656.db2.gz GNIKOVBRAOVBMK-UHFFFAOYSA-N 1 0 207.321 2.174 20 30 BEEDRO C=CCNC(=O)C[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000342332273 385967682 /nfs/dbraw/zinc/96/76/82/385967682.db2.gz CENMAHTUETUWSQ-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000359932662 533155890 /nfs/dbraw/zinc/15/58/90/533155890.db2.gz CBGQGUDJMGNDBX-HNNXBMFYSA-N 1 0 234.387 2.208 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCOC1 ZINC000414175050 386019823 /nfs/dbraw/zinc/01/98/23/386019823.db2.gz YWILYEHVQFDQML-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CCCC[C@H]1O ZINC000267107236 386024490 /nfs/dbraw/zinc/02/44/90/386024490.db2.gz QJDAJNGWOJJICU-KGLIPLIRSA-N 1 0 248.326 2.182 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172491254 974836959 /nfs/dbraw/zinc/83/69/59/974836959.db2.gz CYHSHMFZJULNSF-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCc1ccnn1CC ZINC000338539378 386036126 /nfs/dbraw/zinc/03/61/26/386036126.db2.gz GRODTVRHWCNLPJ-CYBMUJFWSA-N 1 0 233.359 2.486 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccn(CC)n1 ZINC000414204292 386039550 /nfs/dbraw/zinc/03/95/50/386039550.db2.gz FVBSKPYBIMBMGK-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000335076282 386044521 /nfs/dbraw/zinc/04/45/21/386044521.db2.gz KWOQBAXLOFHOBL-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000335076294 386045371 /nfs/dbraw/zinc/04/53/71/386045371.db2.gz KWOQBAXLOFHOBL-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@](C)(CC)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414646656 386057605 /nfs/dbraw/zinc/05/76/05/386057605.db2.gz PTQBMOQBQJCEHI-BXKDBHETSA-N 1 0 223.320 2.074 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)c1ccc(C#N)cc1 ZINC000274416316 386102130 /nfs/dbraw/zinc/10/21/30/386102130.db2.gz BBXVIYUNDVNCIP-UHFFFAOYSA-N 1 0 229.327 2.089 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000334454240 386102381 /nfs/dbraw/zinc/10/23/81/386102381.db2.gz MQVUEFYXDGWRKK-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO CN(CC(C)(C)C#N)[C@H]1CC[C@@H](C#N)C1 ZINC000334460011 386111699 /nfs/dbraw/zinc/11/16/99/386111699.db2.gz UFTPFLLTGCSHPG-MNOVXSKESA-N 1 0 205.305 2.160 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)C12CCC[NH+]1CCC2 ZINC000415618656 386115949 /nfs/dbraw/zinc/11/59/49/386115949.db2.gz GMIAPNQCVRQOPH-GFCCVEGCSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCc1ccccc1NC(=O)N(C)CC[NH3+] ZINC000415670513 386117059 /nfs/dbraw/zinc/11/70/59/386117059.db2.gz HOHUKJKGHDQZQC-UHFFFAOYSA-N 1 0 247.342 2.228 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000334443654 386065622 /nfs/dbraw/zinc/06/56/22/386065622.db2.gz FHSLPYQTFLBREC-CHWSQXEVSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1ccncc1F ZINC000336772679 386073294 /nfs/dbraw/zinc/07/32/94/386073294.db2.gz YGDMMHOONLRKQH-SECBINFHSA-N 1 0 207.252 2.175 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CS1 ZINC000414231538 386078261 /nfs/dbraw/zinc/07/82/61/386078261.db2.gz PHUBVGZWGPGIIN-YTWAJWBKSA-N 1 0 210.346 2.162 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001172491324 974836973 /nfs/dbraw/zinc/83/69/73/974836973.db2.gz MVLJCBZCIMHSQG-UTUOFQBUSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000334589201 386092939 /nfs/dbraw/zinc/09/29/39/386092939.db2.gz KNEPRBPRPZBLLX-OLZOCXBDSA-N 1 0 244.338 2.362 20 30 BEEDRO C=CCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000338811029 386149930 /nfs/dbraw/zinc/14/99/30/386149930.db2.gz BZWYNGCMNHHLHR-UHFFFAOYSA-N 1 0 248.370 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414351730 386155102 /nfs/dbraw/zinc/15/51/02/386155102.db2.gz SBRFHDMWRRNOOA-WRWGMCAJSA-N 1 0 216.284 2.417 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000164657825 386156843 /nfs/dbraw/zinc/15/68/43/386156843.db2.gz WVFZIDQMJFSEHO-SECBINFHSA-N 1 0 223.272 2.120 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(CCO)CC1)C1CC1 ZINC000188066309 386175763 /nfs/dbraw/zinc/17/57/63/386175763.db2.gz KKTHWZHSEPNCPX-ZDUSSCGKSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C(CC)CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416008332 386177578 /nfs/dbraw/zinc/17/75/78/386177578.db2.gz MHHVISGZKUSTMV-UHFFFAOYSA-N 1 0 245.326 2.378 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000647879489 386180546 /nfs/dbraw/zinc/18/05/46/386180546.db2.gz ARVRAVATHAVBNB-OAHLLOKOSA-N 1 0 230.355 2.284 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOC(C)(C)C1 ZINC001172491211 974837002 /nfs/dbraw/zinc/83/70/02/974837002.db2.gz CQMAXKKCKMTRPC-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cnn1C ZINC000274627645 386133305 /nfs/dbraw/zinc/13/33/05/386133305.db2.gz NZVFUFNHCPRZCG-MVWJERBFSA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccnc1 ZINC000320287729 386135732 /nfs/dbraw/zinc/13/57/32/386135732.db2.gz PGCXHVTVGPKMPI-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(F)ccc1F ZINC000320291693 386142453 /nfs/dbraw/zinc/14/24/53/386142453.db2.gz QPVTVCOXBWXOCC-GFCCVEGCSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cc(C#N)cs1 ZINC000131385213 386205395 /nfs/dbraw/zinc/20/53/95/386205395.db2.gz BDKYAWRRVBTBPU-UHFFFAOYSA-N 1 0 236.340 2.302 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000339009428 386206229 /nfs/dbraw/zinc/20/62/29/386206229.db2.gz CZHLCQNJQVFUAO-GXTWGEPZSA-N 1 0 241.375 2.324 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000225815492 386219554 /nfs/dbraw/zinc/21/95/54/386219554.db2.gz XAAZWICSZRUXGJ-OAHLLOKOSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)[C@H](C)O1 ZINC000347195175 386260279 /nfs/dbraw/zinc/26/02/79/386260279.db2.gz ZPPBUUHPJKBTHA-UTUOFQBUSA-N 1 0 224.348 2.424 20 30 BEEDRO CC(C)[C@@H]1CN(CCC(C)(C)C#N)CC[N@@H+]1C ZINC000347124142 386237739 /nfs/dbraw/zinc/23/77/39/386237739.db2.gz JCRZDTPJFQWANP-ZDUSSCGKSA-N 1 0 237.391 2.198 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1csc(CC)n1 ZINC000320302260 386238766 /nfs/dbraw/zinc/23/87/66/386238766.db2.gz BQNQEQUGBHTLIG-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@]1(CCC)COC ZINC000339129529 386253330 /nfs/dbraw/zinc/25/33/30/386253330.db2.gz CXMYRGAYTJHAIA-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO CC[N@H+](CCCc1ccncc1)C[C@@H](C)C#N ZINC000347296173 386297261 /nfs/dbraw/zinc/29/72/61/386297261.db2.gz CFQQNNNSRYWMAL-ZDUSSCGKSA-N 1 0 231.343 2.496 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000451683359 386316390 /nfs/dbraw/zinc/31/63/90/386316390.db2.gz RRGSFAYRHNRWEA-MJBXVCDLSA-N 1 0 239.359 2.269 20 30 BEEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347195340 386273540 /nfs/dbraw/zinc/27/35/40/386273540.db2.gz JQQJMUPPIRIJDP-UPJWGTAASA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(C#N)cc1 ZINC000315735539 259686944 /nfs/dbraw/zinc/68/69/44/259686944.db2.gz KWRZQMSHNVEWNT-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000280299616 386342659 /nfs/dbraw/zinc/34/26/59/386342659.db2.gz ZUCQRDACHPDTRX-QMMMGPOBSA-N 1 0 239.116 2.128 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280322116 386345602 /nfs/dbraw/zinc/34/56/02/386345602.db2.gz HDFHXPPMKWSLBA-CYBMUJFWSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181277312 386347402 /nfs/dbraw/zinc/34/74/02/386347402.db2.gz ZLOKRZRSAJMBNG-LLVKDONJSA-N 1 0 246.310 2.480 20 30 BEEDRO C=C(C)CN(Cc1ccccc1)C(=O)C[NH+](C)C ZINC000280235528 386351691 /nfs/dbraw/zinc/35/16/91/386351691.db2.gz XUJMKYOVOYPJLJ-UHFFFAOYSA-N 1 0 246.354 2.153 20 30 BEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(C)(C)C#N ZINC000347316576 386356783 /nfs/dbraw/zinc/35/67/83/386356783.db2.gz QNYXWFFNFFKBOQ-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccsc1 ZINC000320338711 386359404 /nfs/dbraw/zinc/35/94/04/386359404.db2.gz AORQDBCRMZUGDX-NSHDSACASA-N 1 0 211.330 2.165 20 30 BEEDRO C=CCCCN(C)CC(=O)OCC(C)C ZINC000181461667 386373464 /nfs/dbraw/zinc/37/34/64/386373464.db2.gz XKEMQMKKUFLBNQ-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCN1CCCC1=O ZINC000519411676 386436758 /nfs/dbraw/zinc/43/67/58/386436758.db2.gz PUWBWWBKCFVIMQ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc(CC)nc1 ZINC000414435150 386447745 /nfs/dbraw/zinc/44/77/45/386447745.db2.gz RLRUADSMZZZAHZ-UHFFFAOYSA-N 1 0 205.305 2.047 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000572008827 386395346 /nfs/dbraw/zinc/39/53/46/386395346.db2.gz KNBZZMMSEMQMKX-MFKMUULPSA-N 1 0 236.315 2.038 20 30 BEEDRO C=C[C@@H]1CCCCN1C[C@@H]([NH3+])CC(C)C ZINC000414757858 386406312 /nfs/dbraw/zinc/40/63/12/386406312.db2.gz LWLUXHYNQADEFE-QWHCGFSZSA-N 1 0 210.365 2.400 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1sc(C)nc1C ZINC000320430218 386425169 /nfs/dbraw/zinc/42/51/69/386425169.db2.gz HCJWUBBXTAAJSX-NSHDSACASA-N 1 0 240.372 2.177 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1ccc(C#N)nc1 ZINC000267347297 386471523 /nfs/dbraw/zinc/47/15/23/386471523.db2.gz FSKAPNKIQUHFIT-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000285189652 386482003 /nfs/dbraw/zinc/48/20/03/386482003.db2.gz NPTXNRUJGXKTSY-RISCZKNCSA-N 1 0 247.338 2.296 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(F)cc1 ZINC000320096615 386483090 /nfs/dbraw/zinc/48/30/90/386483090.db2.gz ASZTUAXNXDOOGO-ZDUSSCGKSA-N 1 0 223.291 2.242 20 30 BEEDRO N#Cc1cnc(C[NH+](C2CCC2)C2CCC2)nc1 ZINC000572137230 386520650 /nfs/dbraw/zinc/52/06/50/386520650.db2.gz NWPXUIQLFUMERI-UHFFFAOYSA-N 1 0 242.326 2.255 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442710841 386524013 /nfs/dbraw/zinc/52/40/13/386524013.db2.gz QWOHZUQILDPFAJ-MCIONIFRSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000320150941 386526740 /nfs/dbraw/zinc/52/67/40/386526740.db2.gz CUDZYRCDSSVGAO-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000161761306 386455707 /nfs/dbraw/zinc/45/57/07/386455707.db2.gz CRAXAYGSTVPEFT-STQMWFEESA-N 1 0 244.342 2.191 20 30 BEEDRO CCC(CC)C[N@@H+](CCC#N)CCOC ZINC000097992766 386576160 /nfs/dbraw/zinc/57/61/60/386576160.db2.gz MLKNNOLECDKJBF-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000290236961 386589808 /nfs/dbraw/zinc/58/98/08/386589808.db2.gz UHWZFGMIIAOFMC-ZDUSSCGKSA-N 1 0 229.327 2.034 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000124153798 386591226 /nfs/dbraw/zinc/59/12/26/386591226.db2.gz BBYBHAPRJVRVOV-OAHLLOKOSA-N 1 0 247.313 2.024 20 30 BEEDRO N#C[C@H]1CC[C@@H](SCC2CC[NH2+]CC2)C1 ZINC000335457094 386536446 /nfs/dbraw/zinc/53/64/46/386536446.db2.gz WYPODCNOHLRCLD-NWDGAFQWSA-N 1 0 224.373 2.411 20 30 BEEDRO CN(CC[NH2+][C@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000442719507 386557990 /nfs/dbraw/zinc/55/79/90/386557990.db2.gz QDXKJHZSOANIKL-KBPBESRZSA-N 1 0 243.354 2.405 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1F ZINC000320570977 386619206 /nfs/dbraw/zinc/61/92/06/386619206.db2.gz VWBWTEUDQSMOTJ-LBPRGKRZSA-N 1 0 223.291 2.242 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000266138551 386620353 /nfs/dbraw/zinc/62/03/53/386620353.db2.gz GIOHNSOROHNDGN-CHWSQXEVSA-N 1 0 234.299 2.198 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000647949635 386655548 /nfs/dbraw/zinc/65/55/48/386655548.db2.gz FIGCVWVMXDMPQN-GFCCVEGCSA-N 1 0 202.301 2.447 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000185714971 386641403 /nfs/dbraw/zinc/64/14/03/386641403.db2.gz BOWXXMKYZUFBSQ-XUXIUFHCSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)n(C)n1 ZINC000414462792 386606444 /nfs/dbraw/zinc/60/64/44/386606444.db2.gz FXGUWMWTKJRNCG-UHFFFAOYSA-N 1 0 207.321 2.030 20 30 BEEDRO CN(CCOc1ccccc1F)CC1(C#N)CC1 ZINC000343246213 386606753 /nfs/dbraw/zinc/60/67/53/386606753.db2.gz GYLRDMSGEXBNFI-UHFFFAOYSA-N 1 0 248.301 2.440 20 30 BEEDRO C=C(C)C[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000647953764 386674286 /nfs/dbraw/zinc/67/42/86/386674286.db2.gz RYVQSOFEGUIDBJ-ZDUSSCGKSA-N 1 0 234.343 2.307 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000330414102 386707401 /nfs/dbraw/zinc/70/74/01/386707401.db2.gz ZXAQWZRHWLMTMM-ZDUSSCGKSA-N 1 0 249.358 2.321 20 30 BEEDRO C=CC1CC[NH+](Cc2cncn2CC)CC1 ZINC000417790313 386722374 /nfs/dbraw/zinc/72/23/74/386722374.db2.gz IHZSUBAJTFDZMV-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO CCCCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609799523 386728613 /nfs/dbraw/zinc/72/86/13/386728613.db2.gz NNOCWWLHGJJMBH-AWEZNQCLSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCOCC[NH+]1CCC2(CCC2)CC1 ZINC000645147908 386752403 /nfs/dbraw/zinc/75/24/03/386752403.db2.gz KUQBESXSNOQHSX-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]CCN1CCC1 ZINC000344845214 386761910 /nfs/dbraw/zinc/76/19/10/386761910.db2.gz ZRIXEOQVELXRGR-UHFFFAOYSA-N 1 0 246.354 2.047 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000336668528 386793425 /nfs/dbraw/zinc/79/34/25/386793425.db2.gz MNVIYGQTCKXHLB-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417998528 386817236 /nfs/dbraw/zinc/81/72/36/386817236.db2.gz TWQLGDFLCHJCPX-UHFFFAOYSA-N 1 0 232.327 2.006 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336669590 386801108 /nfs/dbraw/zinc/80/11/08/386801108.db2.gz MUOJGIXUWXMXGT-IJLUTSLNSA-N 1 0 224.348 2.065 20 30 BEEDRO CCC(CC)(C[NH2+][C@H]1CC[C@@H](C#N)C1)OC ZINC000336670132 386809498 /nfs/dbraw/zinc/80/94/98/386809498.db2.gz AAGVLCUMDOYMQO-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000334749288 386815268 /nfs/dbraw/zinc/81/52/68/386815268.db2.gz AHRMGLKJRGSOQB-NEPJUHHUSA-N 1 0 207.317 2.206 20 30 BEEDRO CCC1(C[NH2+]CCCCC#N)CCOCC1 ZINC000336670815 386815344 /nfs/dbraw/zinc/81/53/44/386815344.db2.gz NEYLWDLGNCZJHL-UHFFFAOYSA-N 1 0 224.348 2.477 20 30 BEEDRO C=CCCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341063169 386835238 /nfs/dbraw/zinc/83/52/38/386835238.db2.gz DISOEWVBNGTAMW-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1(C)C ZINC000229815165 386845741 /nfs/dbraw/zinc/84/57/41/386845741.db2.gz AVLPYRDEKABBME-KBPBESRZSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@@](C)(CC)OC)CC1 ZINC000638524653 386856212 /nfs/dbraw/zinc/85/62/12/386856212.db2.gz QJXZHJKZCUKRKB-CQSZACIVSA-N 1 0 240.391 2.042 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1cc(C#N)cs1 ZINC000165167727 386856314 /nfs/dbraw/zinc/85/63/14/386856314.db2.gz UBDMHVOTEZOUAQ-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425346203 386857791 /nfs/dbraw/zinc/85/77/91/386857791.db2.gz BDJTUIPCMFZJRQ-BJDJZHNGSA-N 1 0 227.373 2.061 20 30 BEEDRO CCN(CCC[NH+](C)C)c1cc(C)ncc1C#N ZINC000399513778 386931393 /nfs/dbraw/zinc/93/13/93/386931393.db2.gz MJBXMTSKSBVRRC-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CC[C@H](C)O ZINC000266530190 386965347 /nfs/dbraw/zinc/96/53/47/386965347.db2.gz LVDJRPAWHACXSV-NWDGAFQWSA-N 1 0 232.327 2.322 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000514581118 386994301 /nfs/dbraw/zinc/99/43/01/386994301.db2.gz USBKWHHUGHXJHF-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCSC2)CCC1 ZINC000334930065 387006085 /nfs/dbraw/zinc/00/60/85/387006085.db2.gz OBHOYWDOAWJFGL-JTQLQIEISA-N 1 0 210.346 2.165 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425384096 387035663 /nfs/dbraw/zinc/03/56/63/387035663.db2.gz MMJUYVCZAQGAAC-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000190918852 387038511 /nfs/dbraw/zinc/03/85/11/387038511.db2.gz SWSGMQNSKJLDLU-MNOVXSKESA-N 1 0 236.340 2.277 20 30 BEEDRO C=CCCCC(=O)NCC1([NH+](C)C)CCCC1 ZINC000359068623 387052002 /nfs/dbraw/zinc/05/20/02/387052002.db2.gz LXZGWCKVPIBSOB-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CS[C@@H]1CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000425371486 387012060 /nfs/dbraw/zinc/01/20/60/387012060.db2.gz QGBWDAHSZAKQRP-VHSXEESVSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cnnn1CC ZINC000417961898 387017886 /nfs/dbraw/zinc/01/78/86/387017886.db2.gz IZGIRDGZDXNMAM-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]1SC ZINC000425366848 387024709 /nfs/dbraw/zinc/02/47/09/387024709.db2.gz GPMAGZTXQSXSKE-WYUUTHIRSA-N 1 0 227.373 2.204 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@@H]1SC ZINC000425366846 387024726 /nfs/dbraw/zinc/02/47/26/387024726.db2.gz GPMAGZTXQSXSKE-RHYQMDGZSA-N 1 0 227.373 2.204 20 30 BEEDRO Cc1cc(NC[C@]2(C)CCCS2)c(C#N)cn1 ZINC000399581196 387026431 /nfs/dbraw/zinc/02/64/31/387026431.db2.gz LRCVLXSSVJUDTG-ZDUSSCGKSA-N 1 0 247.367 2.381 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@H]2CCO[C@H]21 ZINC000228195413 387071475 /nfs/dbraw/zinc/07/14/75/387071475.db2.gz OCTFWMQYCQEFCA-IJLUTSLNSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H]1CC[N@H+](CCCCC#N)C[C@H]1n1ccnc1 ZINC000246371278 387080086 /nfs/dbraw/zinc/08/00/86/387080086.db2.gz YLYOMJWMZUGPNS-UONOGXRCSA-N 1 0 246.358 2.460 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCOCC(F)F ZINC000188757479 387090154 /nfs/dbraw/zinc/09/01/54/387090154.db2.gz SXWHBHZMYROQQH-VHSXEESVSA-N 1 0 221.291 2.458 20 30 BEEDRO C=CCC[C@H](CO)Nc1cc[nH+]c(C)c1 ZINC000321299048 387093613 /nfs/dbraw/zinc/09/36/13/387093613.db2.gz YXPXIUYOPFOQLZ-GFCCVEGCSA-N 1 0 206.289 2.129 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188851468 387100698 /nfs/dbraw/zinc/10/06/98/387100698.db2.gz WAYZOCVWLLHVOV-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000127388133 387116191 /nfs/dbraw/zinc/11/61/91/387116191.db2.gz RTXIELQHTJERKZ-KOLCDFICSA-N 1 0 249.745 2.385 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000105569358 387126129 /nfs/dbraw/zinc/12/61/29/387126129.db2.gz YJIAZOZJUOFYQC-OAHLLOKOSA-N 1 0 243.354 2.479 20 30 BEEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)n(C)n1 ZINC000418128224 387156730 /nfs/dbraw/zinc/15/67/30/387156730.db2.gz AIRBZZPGMSOXAG-UHFFFAOYSA-N 1 0 246.358 2.148 20 30 BEEDRO C=CCCCC[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000571732519 387158272 /nfs/dbraw/zinc/15/82/72/387158272.db2.gz BJRDYDMYTNLCSH-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCCC[N@@H+](CC)[C@H](C)CS(C)(=O)=O ZINC000571869115 387182133 /nfs/dbraw/zinc/18/21/33/387182133.db2.gz UKPCCIKBONIBAM-GFCCVEGCSA-N 1 0 247.404 2.098 20 30 BEEDRO CN(CC[N@H+](C)CCCC(C)(C)C#N)C1CC1 ZINC000186762785 387132650 /nfs/dbraw/zinc/13/26/50/387132650.db2.gz HTXUUEAMTIOJGU-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[C@H](NCC1C[NH2+]C1)c1ccco1 ZINC000423303615 387136577 /nfs/dbraw/zinc/13/65/77/387136577.db2.gz MBTFULFRTSQSKA-LBPRGKRZSA-N 1 0 220.316 2.096 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CNCC[C@H]1C ZINC000423355450 387205402 /nfs/dbraw/zinc/20/54/02/387205402.db2.gz FNGVNAAPKFGTKD-FRRDWIJNSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CNCC[C@H]1C ZINC000423357525 387208301 /nfs/dbraw/zinc/20/83/01/387208301.db2.gz IFANLGGGRRHUIM-RNJOBUHISA-N 1 0 210.365 2.175 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000193347704 387210084 /nfs/dbraw/zinc/21/00/84/387210084.db2.gz YEPXXVGVGRTYPW-QNWHQSFQSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](N(C)C)C1 ZINC000571970928 387212858 /nfs/dbraw/zinc/21/28/58/387212858.db2.gz WVLPBSKIRUEMGK-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000424652534 387235652 /nfs/dbraw/zinc/23/56/52/387235652.db2.gz QSVGUWFLMWLHTF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000269500249 387237668 /nfs/dbraw/zinc/23/76/68/387237668.db2.gz LLOREJKUNGLMHT-SNVBAGLBSA-N 1 0 236.315 2.038 20 30 BEEDRO C[C@H](CO)CCC[NH2+]CC(C)(C)CCC#N ZINC000230160035 387238323 /nfs/dbraw/zinc/23/83/23/387238323.db2.gz PDVCIVZICPYMIC-LBPRGKRZSA-N 1 0 226.364 2.315 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000572119185 387239413 /nfs/dbraw/zinc/23/94/13/387239413.db2.gz XWWDXSNAZNWAHC-HUUCEWRRSA-N 1 0 246.354 2.198 20 30 BEEDRO CCN(CCC#N)CC[C@H]1CCCC[N@@H+]1C ZINC000230202598 387246840 /nfs/dbraw/zinc/24/68/40/387246840.db2.gz RWLBTPXPLVUPJK-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229750892 387195670 /nfs/dbraw/zinc/19/56/70/387195670.db2.gz YYPMFHSFHMHELS-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(C)n1C ZINC000572179902 387256694 /nfs/dbraw/zinc/25/66/94/387256694.db2.gz HLMDNDUYDZNCOR-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285525230 387272118 /nfs/dbraw/zinc/27/21/18/387272118.db2.gz ZNWZQLTXFDHJBR-LLVKDONJSA-N 1 0 222.336 2.068 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCO)c1ccco1 ZINC000285569035 387273469 /nfs/dbraw/zinc/27/34/69/387273469.db2.gz HUZGBPGECIJNSZ-LLVKDONJSA-N 1 0 209.289 2.259 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C#N)C12CCC2 ZINC000459769794 387291627 /nfs/dbraw/zinc/29/16/27/387291627.db2.gz RCCFQBSNPURSNW-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CCC[NH2+]CCC1Cc2ccccc2C1 ZINC000572274475 387297400 /nfs/dbraw/zinc/29/74/00/387297400.db2.gz CLXHEYDFIJVJLX-UHFFFAOYSA-N 1 0 214.312 2.295 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC1(CO)CC1 ZINC000648467235 387354700 /nfs/dbraw/zinc/35/47/00/387354700.db2.gz BCKUQPIRMXVNRF-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO Cc1[nH+]c2c(n1CC1(C#N)CC1)CCCC2 ZINC000515434807 387380659 /nfs/dbraw/zinc/38/06/59/387380659.db2.gz PMHLEZXOBCDSST-UHFFFAOYSA-N 1 0 215.300 2.374 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC000514989906 387320584 /nfs/dbraw/zinc/32/05/84/387320584.db2.gz VCWFPPFYOQOIFA-KWCYVHTRSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000515005158 387321958 /nfs/dbraw/zinc/32/19/58/387321958.db2.gz GDWWUFYUVMGRMW-AGIUHOORSA-N 1 0 219.332 2.454 20 30 BEEDRO C=CC[C@H](C)[C@H](C)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423479128 387327241 /nfs/dbraw/zinc/32/72/41/387327241.db2.gz NYIKLWDJFFAXQM-GARJFASQSA-N 1 0 232.318 2.174 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CN)C2CCCC2)C1 ZINC000423503976 387342297 /nfs/dbraw/zinc/34/22/97/387342297.db2.gz NGFJVHHNRQIVRN-KWCYVHTRSA-N 1 0 235.375 2.176 20 30 BEEDRO C#CCCN1CCOC[C@@H]1c1ccc(CC)o1 ZINC000269849510 387423682 /nfs/dbraw/zinc/42/36/82/387423682.db2.gz GMVXKCIDPNIMNR-CYBMUJFWSA-N 1 0 233.311 2.239 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@H]1O ZINC000352661764 387425178 /nfs/dbraw/zinc/42/51/78/387425178.db2.gz UZAMJOYHQSAXBO-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[C@H]([NH2+]Cc1ccnn1C)c1ccccc1 ZINC000270175808 387427337 /nfs/dbraw/zinc/42/73/37/387427337.db2.gz IIVALWGKAPIPNL-HNNXBMFYSA-N 1 0 239.322 2.274 20 30 BEEDRO C#CCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000270551900 387434528 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387480269 /nfs/dbraw/zinc/48/02/69/387480269.db2.gz FJVQPRGWTPNQKP-LBPRGKRZSA-N 1 0 249.289 2.094 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000424079377 387481256 /nfs/dbraw/zinc/48/12/56/387481256.db2.gz RYZCIWBHMXYDIN-ZDUSSCGKSA-N 1 0 244.338 2.259 20 30 BEEDRO C[N@H+](Cc1cc(C#N)ccc1F)C1(CO)CCC1 ZINC000292112000 387489032 /nfs/dbraw/zinc/48/90/32/387489032.db2.gz JDSQDIMPHIWXTQ-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000274701362 387493353 /nfs/dbraw/zinc/49/33/53/387493353.db2.gz NWKKCFWHJDZZLO-UHFFFAOYSA-N 1 0 247.342 2.234 20 30 BEEDRO CC1=C[C@@H](C)CN(C[C@@H](C#N)CCC#N)C1 ZINC000430267120 387603023 /nfs/dbraw/zinc/60/30/23/387603023.db2.gz JBECMHRGIWFHHN-DGCLKSJQSA-N 1 0 217.316 2.328 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000422603901 387605378 /nfs/dbraw/zinc/60/53/78/387605378.db2.gz NAAALFNHSRLBEM-LLVKDONJSA-N 1 0 241.379 2.158 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1nccc(C)c1C#N ZINC000230077990 387619040 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387796022 /nfs/dbraw/zinc/79/60/22/387796022.db2.gz ZOPNVAIMPURRFR-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000442633500 387808570 /nfs/dbraw/zinc/80/85/70/387808570.db2.gz JUEUUFQFIYDRCC-STQMWFEESA-N 1 0 230.311 2.347 20 30 BEEDRO CC(C)[NH+](CCN[C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000442634363 387810557 /nfs/dbraw/zinc/81/05/57/387810557.db2.gz MNHDVFWMLNPHLO-UONOGXRCSA-N 1 0 237.391 2.387 20 30 BEEDRO CCN1C[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000441389433 387757336 /nfs/dbraw/zinc/75/73/36/387757336.db2.gz ZLSQXHCVLDETLR-PPWQZUPISA-N 1 0 249.402 2.246 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527859235 387758139 /nfs/dbraw/zinc/75/81/39/387758139.db2.gz ODUQMDIFAPRHQS-OCCSQVGLSA-N 1 0 234.387 2.415 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000353209625 387758947 /nfs/dbraw/zinc/75/89/47/387758947.db2.gz ZRSKCWVGRYHUPB-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO N#CC1(CN2CC[C@H](Oc3ccccc3)C2)CC1 ZINC000564080297 387821153 /nfs/dbraw/zinc/82/11/53/387821153.db2.gz CGRUNAGPECHVIP-AWEZNQCLSA-N 1 0 242.322 2.443 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCC[C@@H](C)C1 ZINC000442719233 387828801 /nfs/dbraw/zinc/82/88/01/387828801.db2.gz RHORJQGDCKWWNA-KBUPBQIOSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000442719206 387829076 /nfs/dbraw/zinc/82/90/76/387829076.db2.gz REKWEEDIVWUUGN-AAEUAGOBSA-N 1 0 248.301 2.486 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000294867398 387831277 /nfs/dbraw/zinc/83/12/77/387831277.db2.gz UBINDZCHOGPSPV-ZDUSSCGKSA-N 1 0 248.301 2.354 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000442771908 387836689 /nfs/dbraw/zinc/83/66/89/387836689.db2.gz VADHMNNBLBVKEG-AEGPPILISA-N 1 0 244.338 2.392 20 30 BEEDRO CCC(CC)(CCO)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442778972 387837078 /nfs/dbraw/zinc/83/70/78/387837078.db2.gz HXIJKFZKFVWESE-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000442773863 387837325 /nfs/dbraw/zinc/83/73/25/387837325.db2.gz DHQIBWUMXPWFKD-UBHSHLNASA-N 1 0 230.311 2.002 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000442775934 387837741 /nfs/dbraw/zinc/83/77/41/387837741.db2.gz CPQCCEDGZQULCW-AAEUAGOBSA-N 1 0 248.301 2.486 20 30 BEEDRO CC(C)Cn1ccnc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442778121 387837843 /nfs/dbraw/zinc/83/78/43/387837843.db2.gz FPNDNWSUDJWPJW-QWHCGFSZSA-N 1 0 246.358 2.321 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC[C@@H]1O ZINC000442784637 387838700 /nfs/dbraw/zinc/83/87/00/387838700.db2.gz UKDFCSUWFNQRBX-RFQIPJPRSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000442779481 387838727 /nfs/dbraw/zinc/83/87/27/387838727.db2.gz ISLZPRLAJGSFMC-STQMWFEESA-N 1 0 236.359 2.211 20 30 BEEDRO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@H]1CCOC1 ZINC000160966491 387839033 /nfs/dbraw/zinc/83/90/33/387839033.db2.gz NVPULYVAHDOLME-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000442788541 387841706 /nfs/dbraw/zinc/84/17/06/387841706.db2.gz CCLCIEDHCKUBJK-MRVWCRGKSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000442796888 387841716 /nfs/dbraw/zinc/84/17/16/387841716.db2.gz WJEUMWRKAVNEBZ-GXFFZTMASA-N 1 0 248.301 2.100 20 30 BEEDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442791322 387841943 /nfs/dbraw/zinc/84/19/43/387841943.db2.gz NSKXPBNPLGDWDX-HZSPNIEDSA-N 1 0 238.375 2.313 20 30 BEEDRO COC1CCC(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442789687 387842002 /nfs/dbraw/zinc/84/20/02/387842002.db2.gz KCHIDRNTMKUGSC-CEUNDQEZSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1cnccc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442841181 387849566 /nfs/dbraw/zinc/84/95/66/387849566.db2.gz FXTNWRDQVPNEKW-OCCSQVGLSA-N 1 0 229.327 2.214 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2ccccn2)C1 ZINC000442843665 387849730 /nfs/dbraw/zinc/84/97/30/387849730.db2.gz DMMBXBMZGJJBKL-JSGCOSHPSA-N 1 0 229.327 2.296 20 30 BEEDRO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442849754 387850317 /nfs/dbraw/zinc/85/03/17/387850317.db2.gz BZWJKLUXEOQYEX-UPJWGTAASA-N 1 0 236.359 2.065 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@@H](C)C2)nn1 ZINC000424167099 387854269 /nfs/dbraw/zinc/85/42/69/387854269.db2.gz BVFKXPNEPDPSLV-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(NC(C)=O)nc1 ZINC000433087576 387862644 /nfs/dbraw/zinc/86/26/44/387862644.db2.gz CWVXPFOHRQZPIG-LLVKDONJSA-N 1 0 247.342 2.484 20 30 BEEDRO C=CCn1cc(C[NH2+]CC2CCCCC2)nn1 ZINC000424171575 387865189 /nfs/dbraw/zinc/86/51/89/387865189.db2.gz LXOZEEKATHTAHM-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000442658158 387815049 /nfs/dbraw/zinc/81/50/49/387815049.db2.gz YXCNOYMJIKEKBG-JQWIXIFHSA-N 1 0 244.294 2.197 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1ncc[nH]1 ZINC000353600598 387817076 /nfs/dbraw/zinc/81/70/76/387817076.db2.gz YVBZSKCTZUDMAS-NSHDSACASA-N 1 0 240.310 2.175 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000393223577 387875173 /nfs/dbraw/zinc/87/51/73/387875173.db2.gz WGRKPQOTHMBALP-USZNOCQGSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(C)n1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424194453 387918006 /nfs/dbraw/zinc/91/80/06/387918006.db2.gz LPUJHAZBNSOKIX-WCQYABFASA-N 1 0 232.331 2.246 20 30 BEEDRO C=C(C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000452724345 387900077 /nfs/dbraw/zinc/90/00/77/387900077.db2.gz QTJFEJBEFSBTIZ-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO COc1ccccc1OCCN(C)[C@@H](C)CC#N ZINC000064932192 387900250 /nfs/dbraw/zinc/90/02/50/387900250.db2.gz GSOPWOPSVRKUSD-LBPRGKRZSA-N 1 0 248.326 2.308 20 30 BEEDRO C=CCSCC[NH2+]Cc1cn2ccccc2n1 ZINC000174352507 387903357 /nfs/dbraw/zinc/90/33/57/387903357.db2.gz IJHXWZHPANGMGO-UHFFFAOYSA-N 1 0 247.367 2.343 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CNCC[C@H]1C ZINC000423132018 387909157 /nfs/dbraw/zinc/90/91/57/387909157.db2.gz IROZAAFMCHMUQO-NEPJUHHUSA-N 1 0 210.365 2.176 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423155887 387934467 /nfs/dbraw/zinc/93/44/67/387934467.db2.gz RKIQZZYDRKQBFR-YJNKXOJESA-N 1 0 244.338 2.064 20 30 BEEDRO CC[N@H+](CCNCc1ccc(C#N)cc1)C(C)C ZINC000102429604 387922564 /nfs/dbraw/zinc/92/25/64/387922564.db2.gz SNVOEZPFOOXSNP-UHFFFAOYSA-N 1 0 245.370 2.378 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccncc2)C1 ZINC000424197633 387925786 /nfs/dbraw/zinc/92/57/86/387925786.db2.gz ODVNDTQEOWIPSD-BXHLDNEWSA-N 1 0 227.311 2.377 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@@H]1CCCC[C@H]1O ZINC000245533197 387955731 /nfs/dbraw/zinc/95/57/31/387955731.db2.gz DITDZWVYEZBYJA-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc(C)on1 ZINC000424294742 387956047 /nfs/dbraw/zinc/95/60/47/387956047.db2.gz LJPDQXRMFGISPA-MDZLAQPJSA-N 1 0 236.315 2.225 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000321052822 387939282 /nfs/dbraw/zinc/93/92/82/387939282.db2.gz WCNCKSCJMGXBLY-CMPLNLGQSA-N 1 0 238.306 2.198 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC001645445341 1172667419 /nfs/dbraw/zinc/66/74/19/1172667419.db2.gz PQEZVDBGUWCHMD-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccs1 ZINC000321147731 387951543 /nfs/dbraw/zinc/95/15/43/387951543.db2.gz UVSOBZCPCBRNBY-JTQLQIEISA-N 1 0 211.330 2.165 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1[C@H](C)CCCC#N ZINC001172492224 974840103 /nfs/dbraw/zinc/84/01/03/974840103.db2.gz JPBLWTGXDFXZMX-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000424299572 387959105 /nfs/dbraw/zinc/95/91/05/387959105.db2.gz VPWLERZHQOMEJN-RFGFWPKPSA-N 1 0 234.343 2.249 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000424300946 387961052 /nfs/dbraw/zinc/96/10/52/387961052.db2.gz YUBPHOOHEHRBLD-RVMXOQNASA-N 1 0 247.342 2.070 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC[C@H]2C2CCC2)nn1 ZINC000424301069 387962286 /nfs/dbraw/zinc/96/22/86/387962286.db2.gz ZJINKGUHLDKMAF-KBPBESRZSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCNC1 ZINC000423177122 387963384 /nfs/dbraw/zinc/96/33/84/387963384.db2.gz AHBLVEXBBNGSFC-QWHCGFSZSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCNC1 ZINC000423177120 387963707 /nfs/dbraw/zinc/96/37/07/387963707.db2.gz AHBLVEXBBNGSFC-CHWSQXEVSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nccc(OC)n1 ZINC000424309246 387963784 /nfs/dbraw/zinc/96/37/84/387963784.db2.gz QOUOLAZLAIIJBY-GHMZBOCLSA-N 1 0 235.331 2.176 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nccc(OC)n1 ZINC000424309249 387964663 /nfs/dbraw/zinc/96/46/63/387964663.db2.gz QOUOLAZLAIIJBY-QWRGUYRKSA-N 1 0 235.331 2.176 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424315693 387967361 /nfs/dbraw/zinc/96/73/61/387967361.db2.gz AJSCUTUYYWTUMS-IGQOVBAYSA-N 1 0 236.359 2.473 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000424317253 387968271 /nfs/dbraw/zinc/96/82/71/387968271.db2.gz BOQBQJSZWUYHOY-RNJOBUHISA-N 1 0 236.359 2.472 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320780 387970146 /nfs/dbraw/zinc/97/01/46/387970146.db2.gz GLHCMSVAOUUICV-SDDRHHMPSA-N 1 0 230.315 2.128 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCC[C@H]1C ZINC000321181371 387956727 /nfs/dbraw/zinc/95/67/27/387956727.db2.gz ZOERMLOHLDOXSD-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO Cn1cc2c(n1)CCC[C@H]2[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424337685 387980423 /nfs/dbraw/zinc/98/04/23/387980423.db2.gz ZSVQSAIMCZQCSM-DMDPSCGWSA-N 1 0 244.342 2.079 20 30 BEEDRO CCSCC[C@H](C)[N@H+](C)CCOCCC#N ZINC000339041097 135054835 /nfs/dbraw/zinc/05/48/35/135054835.db2.gz VQOFRCUOJUYLCY-LBPRGKRZSA-N 1 0 244.404 2.380 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCC(F)(F)F)C1 ZINC000308534632 135079530 /nfs/dbraw/zinc/07/95/30/135079530.db2.gz CZUXPQICGYYZJI-YUMQZZPRSA-N 1 0 206.211 2.221 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453158315 387990973 /nfs/dbraw/zinc/99/09/73/387990973.db2.gz AJBPCPQGUYWJMW-SMDDNHRTSA-N 1 0 223.360 2.339 20 30 BEEDRO CC(C)(C#N)Cc1nc(C2([NH3+])CCCCC2)no1 ZINC000424351201 387985858 /nfs/dbraw/zinc/98/58/58/387985858.db2.gz YLNSADSFGHXSIU-UHFFFAOYSA-N 1 0 248.330 2.280 20 30 BEEDRO C=CCOCCC[N@@H+]1CCCO[C@H](CC)C1 ZINC000439473519 387999931 /nfs/dbraw/zinc/99/99/31/387999931.db2.gz AONGFYCVIPGVLS-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000246042303 388004282 /nfs/dbraw/zinc/00/42/82/388004282.db2.gz RZVGFMKUWDDQMR-ZFWWWQNUSA-N 1 0 248.370 2.489 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CCc2ccccc2CC1 ZINC000453250451 388025694 /nfs/dbraw/zinc/02/56/94/388025694.db2.gz KXKZKVZLDCEGQJ-AWEZNQCLSA-N 1 0 231.339 2.071 20 30 BEEDRO C=CCC[C@@H](NCC[NH2+]C)c1ccco1 ZINC000423253015 388035400 /nfs/dbraw/zinc/03/54/00/388035400.db2.gz YEGXVLGSWQTDNV-LLVKDONJSA-N 1 0 208.305 2.096 20 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RSFBRPTVYNYXFB-IUODEOHRSA-N 1 0 249.354 2.157 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CN)C1CC1 ZINC000423281331 388064231 /nfs/dbraw/zinc/06/42/31/388064231.db2.gz UHGALOICSACAGU-AAEUAGOBSA-N 1 0 210.365 2.448 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOCC2CCCC2)C1 ZINC000453413096 388076591 /nfs/dbraw/zinc/07/65/91/388076591.db2.gz XZLANWGFEWCTKK-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453437818 388082301 /nfs/dbraw/zinc/08/23/01/388082301.db2.gz VFFYKDVXTWYKNW-TZMCWYRMSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453437815 388082303 /nfs/dbraw/zinc/08/23/03/388082303.db2.gz VFFYKDVXTWYKNW-JSGCOSHPSA-N 1 0 238.375 2.380 20 30 BEEDRO Cc1ccoc1C[NH2+]CC1(CC#N)CC1 ZINC000336660278 388090533 /nfs/dbraw/zinc/09/05/33/388090533.db2.gz BUXSCYZHHPULFU-UHFFFAOYSA-N 1 0 204.273 2.372 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000117873360 388092169 /nfs/dbraw/zinc/09/21/69/388092169.db2.gz PMTGOQUFYYQJDK-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO N#Cc1cccnc1N1CCc2c[nH+]ccc21 ZINC000175005213 388102204 /nfs/dbraw/zinc/10/22/04/388102204.db2.gz UKAUCRGGYOPJJW-UHFFFAOYSA-N 1 0 222.251 2.042 20 30 BEEDRO CC(C)C[C@H](CN)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423266469 388046272 /nfs/dbraw/zinc/04/62/72/388046272.db2.gz SCPGFIQKMIFAFK-YNEHKIRRSA-N 1 0 223.364 2.032 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccco1 ZINC000453341823 388048907 /nfs/dbraw/zinc/04/89/07/388048907.db2.gz CZDMHXKWALZIGP-MXWKQRLJSA-N 1 0 207.273 2.274 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453337389 388050643 /nfs/dbraw/zinc/05/06/43/388050643.db2.gz AKKWAUIFASUANU-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](CC)CO)cc1 ZINC000449378495 388187621 /nfs/dbraw/zinc/18/76/21/388187621.db2.gz WZQFHWOWGDZJSB-AWEZNQCLSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)NCC=C ZINC000449248484 388162861 /nfs/dbraw/zinc/16/28/61/388162861.db2.gz HQVFMZAMAYZWIO-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)NCCF ZINC000449307663 388170616 /nfs/dbraw/zinc/17/06/16/388170616.db2.gz QOZWNDQHQQJOAS-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)NCCF ZINC000449307664 388170853 /nfs/dbraw/zinc/17/08/53/388170853.db2.gz QOZWNDQHQQJOAS-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C1CC1 ZINC000449324902 388173646 /nfs/dbraw/zinc/17/36/46/388173646.db2.gz IDSQGIVFKXLUJV-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000449337820 388176114 /nfs/dbraw/zinc/17/61/14/388176114.db2.gz CYEDIHVKVUAFCM-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO CO[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449342994 388176726 /nfs/dbraw/zinc/17/67/26/388176726.db2.gz GZKKLRWZIAHBOT-ROKHWSDSSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000456114010 388178781 /nfs/dbraw/zinc/17/87/81/388178781.db2.gz AECMZIBPUSFPAO-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000456114894 388179220 /nfs/dbraw/zinc/17/92/20/388179220.db2.gz JSYRCLRZGYVYOS-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000590761506 388130065 /nfs/dbraw/zinc/13/00/65/388130065.db2.gz XKHNCPHPFZCOJU-UPJWGTAASA-N 1 0 237.343 2.110 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CCO)c1ccccc1F ZINC000646066775 388135753 /nfs/dbraw/zinc/13/57/53/388135753.db2.gz BMHMLOQSPOKJGZ-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nncn1C ZINC000449071137 388138791 /nfs/dbraw/zinc/13/87/91/388138791.db2.gz AHRLBNUGHZNVKE-LLVKDONJSA-N 1 0 222.336 2.040 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCCNC(C)=O ZINC000449068992 388139327 /nfs/dbraw/zinc/13/93/27/388139327.db2.gz DJTVCPXUKHJZMB-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCSC1 ZINC000037174848 388186668 /nfs/dbraw/zinc/18/66/68/388186668.db2.gz SLHKJNWDSQRYTF-ZDUSSCGKSA-N 1 0 232.352 2.496 20 30 BEEDRO COCCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449083136 388140782 /nfs/dbraw/zinc/14/07/82/388140782.db2.gz SCFKAGXZXOPCKY-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccncc1F ZINC000449131008 388141777 /nfs/dbraw/zinc/14/17/77/388141777.db2.gz JMQOAHBNHYJCOY-UHFFFAOYSA-N 1 0 226.320 2.230 20 30 BEEDRO COC[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449109045 388143800 /nfs/dbraw/zinc/14/38/00/388143800.db2.gz WZUQPAKQENMPRQ-PNESKVBLSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449143613 388148119 /nfs/dbraw/zinc/14/81/19/388148119.db2.gz IGICWEUQHSLHFB-ZIHBUVQPSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449167100 388151691 /nfs/dbraw/zinc/15/16/91/388151691.db2.gz HXWXBZMTYYCHJJ-ROKHWSDSSA-N 1 0 238.375 2.455 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCCOC1)C1CCCC1 ZINC000490821268 388255789 /nfs/dbraw/zinc/25/57/89/388255789.db2.gz SYKLNGQCQUHRGT-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H](C)c1ccccc1 ZINC000194673062 388258465 /nfs/dbraw/zinc/25/84/65/388258465.db2.gz IEWXACPZXLNHSI-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)C[N@@H+](CC)C1CC1 ZINC000488818780 388195815 /nfs/dbraw/zinc/19/58/15/388195815.db2.gz RLQKQHQCKNKSCN-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CCN(CC)Cc1c[nH]nc1C(C)(C)C ZINC000490897710 388258720 /nfs/dbraw/zinc/25/87/20/388258720.db2.gz DWSOGCJHSZJENY-UHFFFAOYSA-N 1 0 219.332 2.162 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000488974644 388200007 /nfs/dbraw/zinc/20/00/07/388200007.db2.gz BPDZZYLWCZVDFE-BETUJISGSA-N 1 0 227.348 2.078 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449444958 388208012 /nfs/dbraw/zinc/20/80/12/388208012.db2.gz GDNSTSWYUZCAHR-WOPDTQHZSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCOC[C@H]1OC ZINC000449456211 388210178 /nfs/dbraw/zinc/21/01/78/388210178.db2.gz MBXDVPVXNYXLBU-XDQVBPFNSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCOC[C@H]1OC ZINC000449462601 388212231 /nfs/dbraw/zinc/21/22/31/388212231.db2.gz UMAWBUNLKGGDBG-MELADBBJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@H]1CCCCN1Cc1nc(CC)cc(=O)[nH]1 ZINC000489428890 388212333 /nfs/dbraw/zinc/21/23/33/388212333.db2.gz FOLBDWVMOKPCHP-LBPRGKRZSA-N 1 0 247.342 2.285 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1ncnn1CC(C)C ZINC000489437859 388213284 /nfs/dbraw/zinc/21/32/84/388213284.db2.gz WUQBBAQGYVEIPQ-CYBMUJFWSA-N 1 0 248.374 2.475 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000449475529 388213522 /nfs/dbraw/zinc/21/35/22/388213522.db2.gz LCCKBNRPAJYQIX-UHFFFAOYSA-N 1 0 230.315 2.024 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000313496086 256550051 /nfs/dbraw/zinc/55/00/51/256550051.db2.gz YYQRKIVRDVBHQD-QJPTWQEYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C(C)C[N@@H+](CCOC)Cc1scnc1C ZINC000489432975 388214201 /nfs/dbraw/zinc/21/42/01/388214201.db2.gz JZXWYAPWUIGAOP-UHFFFAOYSA-N 1 0 240.372 2.476 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000489449106 388214679 /nfs/dbraw/zinc/21/46/79/388214679.db2.gz NMYHFQWUHBCVGB-AWEZNQCLSA-N 1 0 244.338 2.326 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CC(=O)NCCCCC ZINC000489444638 388215182 /nfs/dbraw/zinc/21/51/82/388215182.db2.gz DXOHGAHNZCYREB-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CC(=O)NC(C)(C)CC ZINC000489471456 388216969 /nfs/dbraw/zinc/21/69/69/388216969.db2.gz FYKJNOLOQUZUTH-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO CC[NH+](CC)CC(=O)Nc1cccc(CC#N)c1 ZINC000456721122 388217344 /nfs/dbraw/zinc/21/73/44/388217344.db2.gz BNEWUWKGIRBENG-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)NCCCC ZINC000489476179 388217837 /nfs/dbraw/zinc/21/78/37/388217837.db2.gz MQMHASQLYZKVOH-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1nccn1CC ZINC000489492652 388218104 /nfs/dbraw/zinc/21/81/04/388218104.db2.gz QZDZWJKISRHGAW-GFCCVEGCSA-N 1 0 219.332 2.444 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037196338 388220166 /nfs/dbraw/zinc/22/01/66/388220166.db2.gz USEWUJSXLXQVIY-MNOVXSKESA-N 1 0 218.300 2.244 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCN(C)c1ccccc1 ZINC000517957441 256556215 /nfs/dbraw/zinc/55/62/15/256556215.db2.gz PVFQMMBUELKCLY-ZDUSSCGKSA-N 1 0 231.343 2.405 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000449521901 388222113 /nfs/dbraw/zinc/22/21/13/388222113.db2.gz TUXQIBCAWIQPQB-UPJWGTAASA-N 1 0 207.317 2.276 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)cc1OC ZINC000449519822 388222924 /nfs/dbraw/zinc/22/29/24/388222924.db2.gz NTZASWBDEPPSOY-KGLIPLIRSA-N 1 0 247.338 2.437 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000456809136 388223070 /nfs/dbraw/zinc/22/30/70/388223070.db2.gz AOTFVSVWQUURLA-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CC(C(C)C)C1 ZINC000449520799 388223430 /nfs/dbraw/zinc/22/34/30/388223430.db2.gz QISXJHRCZFXTBK-TUUUFIMRSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](C)C1 ZINC000449521252 388223695 /nfs/dbraw/zinc/22/36/95/388223695.db2.gz RLZXCYUFSPWYDS-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC000449523771 388224177 /nfs/dbraw/zinc/22/41/77/388224177.db2.gz YJZLQXYRJYWCNI-CABCVRRESA-N 1 0 247.338 2.266 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](C)O ZINC000449535075 388226556 /nfs/dbraw/zinc/22/65/56/388226556.db2.gz CXEOEHHBFIOMNJ-QCXCNERSSA-N 1 0 224.348 2.208 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(OCC)c(OC)c1 ZINC000490917480 388259719 /nfs/dbraw/zinc/25/97/19/388259719.db2.gz YDESJOJORNSWMW-LLVKDONJSA-N 1 0 233.311 2.378 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(OC(C)C)C1 ZINC000449546680 388228620 /nfs/dbraw/zinc/22/86/20/388228620.db2.gz DCPZFYIVYYAPRJ-PQAZSJQKSA-N 1 0 239.359 2.266 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](COC)CC(C)C ZINC000449546668 388228709 /nfs/dbraw/zinc/22/87/09/388228709.db2.gz CZPVMBSRTNWYLB-MCIONIFRSA-N 1 0 241.375 2.371 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000449546482 388228844 /nfs/dbraw/zinc/22/88/44/388228844.db2.gz CFYKDKKJTXPHLL-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CCC1 ZINC000449548178 388229490 /nfs/dbraw/zinc/22/94/90/388229490.db2.gz LMZCDLBQFHXYGY-RTXFEEFZSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H](C)C1 ZINC000449549341 388229812 /nfs/dbraw/zinc/22/98/12/388229812.db2.gz WZSBBBZYNDAXGQ-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnccc1C ZINC000449549238 388229844 /nfs/dbraw/zinc/22/98/44/388229844.db2.gz VZADVBLXHSFXNT-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449565063 388233922 /nfs/dbraw/zinc/23/39/22/388233922.db2.gz GEGLDZBGGNUGGG-QJPTWQEYSA-N 1 0 232.331 2.246 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449565065 388233995 /nfs/dbraw/zinc/23/39/95/388233995.db2.gz GEGLDZBGGNUGGG-TUAOUCFPSA-N 1 0 232.331 2.246 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000449583774 388236432 /nfs/dbraw/zinc/23/64/32/388236432.db2.gz ITCZMQSLMBAZNX-RYUDHWBXSA-N 1 0 221.348 2.295 20 30 BEEDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449585686 388238017 /nfs/dbraw/zinc/23/80/17/388238017.db2.gz LUXWAYIBJWWQKM-YRGRVCCFSA-N 1 0 246.358 2.023 20 30 BEEDRO CCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)COC1 ZINC000449596711 388238052 /nfs/dbraw/zinc/23/80/52/388238052.db2.gz CFKIDLXZXBRSSO-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449585684 388238119 /nfs/dbraw/zinc/23/81/19/388238119.db2.gz LUXWAYIBJWWQKM-DYEKYZERSA-N 1 0 246.358 2.023 20 30 BEEDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449585685 388238121 /nfs/dbraw/zinc/23/81/21/388238121.db2.gz LUXWAYIBJWWQKM-MBNYWOFBSA-N 1 0 246.358 2.023 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CC(C)(C)C ZINC000490616949 388242371 /nfs/dbraw/zinc/24/23/71/388242371.db2.gz MWEZJYMRDNJYFE-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCN(Cc1cc[nH]n1)Cc1ccccc1 ZINC000490635125 388244037 /nfs/dbraw/zinc/24/40/37/388244037.db2.gz CXEBQVGRMJOYKR-UHFFFAOYSA-N 1 0 225.295 2.045 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000449629845 388246056 /nfs/dbraw/zinc/24/60/56/388246056.db2.gz LJBDJKNAPOAVAK-LFSVMHDDSA-N 1 0 222.332 2.082 20 30 BEEDRO C#CCN(Cc1nc2ccccc2o1)C1CC1 ZINC000491295434 388283343 /nfs/dbraw/zinc/28/33/43/388283343.db2.gz HNCMRUNHSKXJGI-UHFFFAOYSA-N 1 0 226.279 2.425 20 30 BEEDRO CC(C)[C@H](CO)[C@@H]([NH2+]CC1(C#N)CC1)C(C)C ZINC000451604762 388283551 /nfs/dbraw/zinc/28/35/51/388283551.db2.gz YYOBIYPWPRIWLS-STQMWFEESA-N 1 0 238.375 2.169 20 30 BEEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)[C@@H](CO)C(C)C ZINC000451604761 388283573 /nfs/dbraw/zinc/28/35/73/388283573.db2.gz YYOBIYPWPRIWLS-QWHCGFSZSA-N 1 0 238.375 2.169 20 30 BEEDRO N#CCCCC[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451608064 388284045 /nfs/dbraw/zinc/28/40/45/388284045.db2.gz NBSOUNPFMNIHKC-UONOGXRCSA-N 1 0 236.359 2.067 20 30 BEEDRO C=CCC[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000451641615 388287215 /nfs/dbraw/zinc/28/72/15/388287215.db2.gz ITTFMEUHQRGUCD-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C=CCOCCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451653717 388288419 /nfs/dbraw/zinc/28/84/19/388288419.db2.gz NCEVYPXTINEMJS-ZDUSSCGKSA-N 1 0 241.400 2.407 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1nc2ccccc2n1C ZINC000491372189 388289372 /nfs/dbraw/zinc/28/93/72/388289372.db2.gz IGNKXRXGUYEFBJ-LBPRGKRZSA-N 1 0 241.338 2.069 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)C(C)(C)C ZINC000491375116 388289567 /nfs/dbraw/zinc/28/95/67/388289567.db2.gz UNMCNBOFPGHUAK-ZDUSSCGKSA-N 1 0 243.354 2.492 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCSC(C)C ZINC000451685921 388289907 /nfs/dbraw/zinc/28/99/07/388289907.db2.gz YQCZWAIPQREWJG-NEPJUHHUSA-N 1 0 229.389 2.451 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451720123 388291587 /nfs/dbraw/zinc/29/15/87/388291587.db2.gz XTGXVNMMUVAIHH-HZSPNIEDSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(CC)C[C@H]1CC ZINC000451743976 388292644 /nfs/dbraw/zinc/29/26/44/388292644.db2.gz UZNPXEQMMZLDCT-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780589 388295453 /nfs/dbraw/zinc/29/54/53/388295453.db2.gz NTRXGDPOUACLPX-STQMWFEESA-N 1 0 243.391 2.042 20 30 BEEDRO C#CC[N@@H+](CC1(CC)CCOCC1)C1CC1 ZINC000491464038 388296233 /nfs/dbraw/zinc/29/62/33/388296233.db2.gz PTDPDYVOGFUBFO-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000491475711 388297834 /nfs/dbraw/zinc/29/78/34/388297834.db2.gz ZFQPLSMREBGJJI-OCCSQVGLSA-N 1 0 217.312 2.064 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000451811519 388297819 /nfs/dbraw/zinc/29/78/19/388297819.db2.gz PDFPEJPJUVDZQG-ZDUSSCGKSA-N 1 0 241.375 2.062 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000491536853 388301807 /nfs/dbraw/zinc/30/18/07/388301807.db2.gz MTKFTMALGGFCKN-LBPRGKRZSA-N 1 0 212.296 2.320 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000491535710 388302046 /nfs/dbraw/zinc/30/20/46/388302046.db2.gz FBQWPTBYRXDYCT-SNVBAGLBSA-N 1 0 218.256 2.048 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000491616984 388304956 /nfs/dbraw/zinc/30/49/56/388304956.db2.gz BMUNRKOVHQUUJE-NWDGAFQWSA-N 1 0 232.327 2.023 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCc1cnccc1C ZINC000491618239 388305142 /nfs/dbraw/zinc/30/51/42/388305142.db2.gz CPHTWTSYZODPLI-ZDUSSCGKSA-N 1 0 216.328 2.276 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000491666543 388309088 /nfs/dbraw/zinc/30/90/88/388309088.db2.gz WRWSMMBGWKRMNH-VXGBXAGGSA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CCC(C)CC1 ZINC000491697359 388312151 /nfs/dbraw/zinc/31/21/51/388312151.db2.gz AXYPWXWECIGNGW-LBPRGKRZSA-N 1 0 221.348 2.045 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H]1C[C@@H](O)C1 ZINC000491701758 388312715 /nfs/dbraw/zinc/31/27/15/388312715.db2.gz VDKRDFGQZMTRRX-OTVXOJSOSA-N 1 0 247.313 2.032 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1COC(C)(C)C1)C(C)(C)C ZINC000491706872 388313312 /nfs/dbraw/zinc/31/33/12/388313312.db2.gz KVFRWMIVKOUJNQ-MNOVXSKESA-N 1 0 209.333 2.191 20 30 BEEDRO C#CC[N@@H+](C)C[C@]1(C)CC1(Cl)Cl ZINC000491710470 388313816 /nfs/dbraw/zinc/31/38/16/388313816.db2.gz SNUXOAZVNJQREN-QMMMGPOBSA-N 1 0 206.116 2.135 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1nc(-c2ccsc2)no1 ZINC000491711507 388313955 /nfs/dbraw/zinc/31/39/55/388313955.db2.gz VIKJSJPCCSYXMH-SECBINFHSA-N 1 0 247.323 2.252 20 30 BEEDRO C#CC[N@@H+](CCC[C@@H](C)O)Cc1ccc(F)cc1 ZINC000491713338 388313985 /nfs/dbraw/zinc/31/39/85/388313985.db2.gz ZZKBTVOLXWOOMW-CYBMUJFWSA-N 1 0 249.329 2.422 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccn(CCC)c1 ZINC000491772094 388319319 /nfs/dbraw/zinc/31/93/19/388319319.db2.gz SYLFGILHAQCTBX-UHFFFAOYSA-N 1 0 204.317 2.353 20 30 BEEDRO C#CC[N@H+](C)CCC(=O)Nc1cccc(F)c1C ZINC000491802620 388321505 /nfs/dbraw/zinc/32/15/05/388321505.db2.gz GNBDYJHJDUOEKW-UHFFFAOYSA-N 1 0 248.301 2.028 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000491802803 388321681 /nfs/dbraw/zinc/32/16/81/388321681.db2.gz HBAJDTFKTZOMAE-SNVBAGLBSA-N 1 0 243.310 2.432 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000491804295 388321884 /nfs/dbraw/zinc/32/18/84/388321884.db2.gz LMSRHIKUENAQKW-HNNXBMFYSA-N 1 0 234.387 2.110 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cncc(C)c1 ZINC000491816451 388323096 /nfs/dbraw/zinc/32/30/96/388323096.db2.gz WTIJWOZEEHNNOI-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCC)c1ccc(Cl)cc1 ZINC000491814117 388323099 /nfs/dbraw/zinc/32/30/99/388323099.db2.gz CKTRGVNXOGFCIJ-NSHDSACASA-N 1 0 235.718 2.148 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CC[C@H](C)C2)CC1 ZINC000490950391 388261294 /nfs/dbraw/zinc/26/12/94/388261294.db2.gz QFUIOFWYKQPNEA-GXTWGEPZSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CC[C@@H](C)C2)CC1 ZINC000490950393 388261779 /nfs/dbraw/zinc/26/17/79/388261779.db2.gz QFUIOFWYKQPNEA-OCCSQVGLSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](SC)C1 ZINC000451330185 388262969 /nfs/dbraw/zinc/26/29/69/388262969.db2.gz ZGVGKGGIVKNGHZ-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO N#CC1(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451346890 388264187 /nfs/dbraw/zinc/26/41/87/388264187.db2.gz SNDZULMCYFVRSH-MJBXVCDLSA-N 1 0 248.370 2.306 20 30 BEEDRO CC#CC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367186 388266227 /nfs/dbraw/zinc/26/62/27/388266227.db2.gz JQAAVSGDSGTBEJ-RFGFWPKPSA-N 1 0 201.313 2.154 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCC(=O)c1ccc(OC)cc1 ZINC000491072593 388267754 /nfs/dbraw/zinc/26/77/54/388267754.db2.gz UCJCCUSPUNIOHJ-LBPRGKRZSA-N 1 0 245.322 2.222 20 30 BEEDRO C#CC[N@@H+](CC)CCC(C)(C)CC(=O)OCC ZINC000491097092 388269417 /nfs/dbraw/zinc/26/94/17/388269417.db2.gz ZCPCSUVIJBNNKB-UHFFFAOYSA-N 1 0 239.359 2.311 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000042240482 388274708 /nfs/dbraw/zinc/27/47/08/388274708.db2.gz CWFMQJLRKHDBFP-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C#CC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000491192473 388275936 /nfs/dbraw/zinc/27/59/36/388275936.db2.gz OTKMDYRXSYXTSX-KBPBESRZSA-N 1 0 231.339 2.106 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451495627 388277960 /nfs/dbraw/zinc/27/79/60/388277960.db2.gz JUKQVRPTOMLMCE-UTUOFQBUSA-N 1 0 207.317 2.110 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451522750 388278451 /nfs/dbraw/zinc/27/84/51/388278451.db2.gz BUFPQWZGVMYHOT-UONOGXRCSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451522751 388278670 /nfs/dbraw/zinc/27/86/70/388278670.db2.gz BUFPQWZGVMYHOT-ZIAGYGMSSA-N 1 0 241.375 2.326 20 30 BEEDRO C#CC[N@@H+](CC)CC1(CC)CCOCC1 ZINC000491232129 388278752 /nfs/dbraw/zinc/27/87/52/388278752.db2.gz YNKGCLBFTDRWSL-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[N@@H+](CC[C@@H](C)O)Cc1ccc(F)cc1 ZINC000491251863 388279724 /nfs/dbraw/zinc/27/97/24/388279724.db2.gz CSIZEERYJXPJAV-GFCCVEGCSA-N 1 0 235.302 2.032 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000492438201 388344347 /nfs/dbraw/zinc/34/43/47/388344347.db2.gz SLKAXBBGAYIZNU-SNVBAGLBSA-N 1 0 228.336 2.017 20 30 BEEDRO C[NH+]1CCC(C)(CNc2cccc(C#N)n2)CC1 ZINC000227307093 388359895 /nfs/dbraw/zinc/35/98/95/388359895.db2.gz UYQKXXATTFJXNW-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO COCC1(C)C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000459626143 388365771 /nfs/dbraw/zinc/36/57/71/388365771.db2.gz YZGGGXGZLTZYDC-UHFFFAOYSA-N 1 0 244.338 2.335 20 30 BEEDRO CCCCC[N@H+](CCO)Cc1ccc(C#N)o1 ZINC000271042250 388371449 /nfs/dbraw/zinc/37/14/49/388371449.db2.gz NZZHTNPTXNHOMH-UHFFFAOYSA-N 1 0 236.315 2.136 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055217 388376227 /nfs/dbraw/zinc/37/62/27/388376227.db2.gz BBWWXSFRVVZFFT-WFASDCNBSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1cn[nH]c1 ZINC000595055820 388376655 /nfs/dbraw/zinc/37/66/55/388376655.db2.gz JYSBNJQLOJVUIJ-LLVKDONJSA-N 1 0 240.310 2.175 20 30 BEEDRO COC[C@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000519702032 256656615 /nfs/dbraw/zinc/65/66/15/256656615.db2.gz FQHBDVXAWZPRKS-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H]1COCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595387134 388383073 /nfs/dbraw/zinc/38/30/73/388383073.db2.gz OYADKCZCTJABDR-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO COC[C@@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC000090117291 388391097 /nfs/dbraw/zinc/39/10/97/388391097.db2.gz NVIASINSUUSMHP-CQSZACIVSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1OCC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272310339 388403065 /nfs/dbraw/zinc/40/30/65/388403065.db2.gz SXAQQNIHEMBRFA-BXUZGUMPSA-N 1 0 242.322 2.314 20 30 BEEDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000174380341 388440673 /nfs/dbraw/zinc/44/06/73/388440673.db2.gz MHPSXJZWBQJCIJ-ZDUSSCGKSA-N 1 0 236.315 2.038 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc2c[nH]nc21 ZINC000309571728 388457498 /nfs/dbraw/zinc/45/74/98/388457498.db2.gz NUORRUTVVDOTQX-GFCCVEGCSA-N 1 0 213.284 2.064 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1cccc(C)c1 ZINC000649251912 388470446 /nfs/dbraw/zinc/47/04/46/388470446.db2.gz GTBCLUBHTMHVHS-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO COC[C@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309981097 388470578 /nfs/dbraw/zinc/47/05/78/388470578.db2.gz WDCRYWBMZLLBFS-XQQFMLRXSA-N 1 0 224.348 2.329 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccccc1F)C(C)C ZINC000309985169 388470885 /nfs/dbraw/zinc/47/08/85/388470885.db2.gz ITPNDCBAWUKATK-KBPBESRZSA-N 1 0 235.302 2.107 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cn(C(C)C)nc1C ZINC000309999747 388472402 /nfs/dbraw/zinc/47/24/02/388472402.db2.gz DLYGKSUTUVGDDH-CYBMUJFWSA-N 1 0 219.332 2.274 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CC1Cc2ccccc2C1 ZINC000310011820 388473371 /nfs/dbraw/zinc/47/33/71/388473371.db2.gz IVFHRAFPNRFEAB-HNNXBMFYSA-N 1 0 213.324 2.403 20 30 BEEDRO C=C(C)CNC(=O)C[C@@H](C)n1ccnc1CC ZINC000648866159 388474978 /nfs/dbraw/zinc/47/49/78/388474978.db2.gz GKVGICWTVVNREH-LLVKDONJSA-N 1 0 235.331 2.089 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)CC ZINC000524811416 388410084 /nfs/dbraw/zinc/41/00/84/388410084.db2.gz JTJVMLSWNOESJR-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1)N(C)C ZINC000271920711 388412331 /nfs/dbraw/zinc/41/23/31/388412331.db2.gz DSFHAPASXDZEOQ-MNOVXSKESA-N 1 0 249.333 2.298 20 30 BEEDRO C=CCCC(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328408762 388414319 /nfs/dbraw/zinc/41/43/19/388414319.db2.gz GCMUUTZUNQTUEN-LBPRGKRZSA-N 1 0 244.338 2.117 20 30 BEEDRO CCN(C)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271939090 388414648 /nfs/dbraw/zinc/41/46/48/388414648.db2.gz LFOORNPZCHPIDC-NSHDSACASA-N 1 0 249.333 2.300 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](O)C1CCC1 ZINC000316808029 388421474 /nfs/dbraw/zinc/42/14/74/388421474.db2.gz SUUZRGFXVDOPHO-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000514795277 256721099 /nfs/dbraw/zinc/72/10/99/256721099.db2.gz DHZZNFKNPRAAFF-UHFFFAOYSA-N 1 0 240.310 2.079 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000514856370 256722734 /nfs/dbraw/zinc/72/27/34/256722734.db2.gz FCJYNUYNZCEFBD-OBJOEFQTSA-N 1 0 249.358 2.223 20 30 BEEDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1cccc(C#N)c1 ZINC000041159455 388432543 /nfs/dbraw/zinc/43/25/43/388432543.db2.gz FBKWCBUXNDFAAT-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245860183 388433550 /nfs/dbraw/zinc/43/35/50/388433550.db2.gz FHDZQMGADHOOAX-DOMZBBRYSA-N 1 0 244.338 2.466 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3OCC[C@H]32)o1 ZINC000245987832 388436155 /nfs/dbraw/zinc/43/61/55/388436155.db2.gz FNDGTACDBWBACR-MJBXVCDLSA-N 1 0 246.310 2.198 20 30 BEEDRO CC[C@H](CNCc1ccc(C#N)o1)[NH+]1CCCC1 ZINC000174264110 388437849 /nfs/dbraw/zinc/43/78/49/388437849.db2.gz PXVVKLFRFMUZTB-GFCCVEGCSA-N 1 0 247.342 2.115 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000177548075 388485810 /nfs/dbraw/zinc/48/58/10/388485810.db2.gz FECAFJIMUSDISU-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCC#N)C1(CO)CCC1 ZINC000339728561 388486452 /nfs/dbraw/zinc/48/64/52/388486452.db2.gz GQGLTPDHXFKFFY-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCC1CC1 ZINC000135282351 388489353 /nfs/dbraw/zinc/48/93/53/388489353.db2.gz MGVOLIJUUAOYKW-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO N#Cc1csc(C[NH2+]Cc2cccnc2)c1 ZINC000086500097 256795187 /nfs/dbraw/zinc/79/51/87/256795187.db2.gz XUHPINANKNBBPN-UHFFFAOYSA-N 1 0 229.308 2.305 20 30 BEEDRO CCOCCC[NH2+]Cc1cc(C#N)cs1 ZINC000086500085 256795259 /nfs/dbraw/zinc/79/52/59/256795259.db2.gz HQBXJNZDYAPYGW-UHFFFAOYSA-N 1 0 224.329 2.136 20 30 BEEDRO Cc1cnn(C)c1C[NH2+]CC(C)(C)CCC#N ZINC000342276610 388498088 /nfs/dbraw/zinc/49/80/88/388498088.db2.gz KHCSEOBEBSSAOF-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO CN(C)C1(C[NH2+]CC(C)(C)CCC#N)CC1 ZINC000397798477 388500264 /nfs/dbraw/zinc/50/02/64/388500264.db2.gz URZSQDSDLAHSLB-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCC)[C@@H]1CC1(C)C ZINC000397819451 388501956 /nfs/dbraw/zinc/50/19/56/388501956.db2.gz PTBZRXPCDCMEQJ-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000343763871 388502663 /nfs/dbraw/zinc/50/26/63/388502663.db2.gz MEUUHGJMLBPMQA-UHFFFAOYSA-N 1 0 232.327 2.221 20 30 BEEDRO C=CCCCC[N@H+]1CCCN(CC)CC1 ZINC000649280586 388513931 /nfs/dbraw/zinc/51/39/31/388513931.db2.gz YJKZQBGBIULQFC-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@@H]1C ZINC000528430850 388525456 /nfs/dbraw/zinc/52/54/56/388525456.db2.gz LPQNQQAARCTHIF-FRRDWIJNSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@@H]1CCCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528459040 388528431 /nfs/dbraw/zinc/52/84/31/388528431.db2.gz TXTQIHUVYGUTJP-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C2CCCCC2)C1=O ZINC000528466694 388530136 /nfs/dbraw/zinc/53/01/36/388530136.db2.gz VTHFLCQBBYKWJM-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO CO[C@@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272872536 388530279 /nfs/dbraw/zinc/53/02/79/388530279.db2.gz AVYLJECIFARARZ-NSHDSACASA-N 1 0 230.311 2.172 20 30 BEEDRO C#CCN[C@H](c1ncc(C)s1)C1CC1 ZINC000185330274 388586528 /nfs/dbraw/zinc/58/65/28/388586528.db2.gz HQHOLDSGNLJDNC-JTQLQIEISA-N 1 0 206.314 2.125 20 30 BEEDRO CCN(C)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000054110485 388593174 /nfs/dbraw/zinc/59/31/74/388593174.db2.gz YTNNVWBJQKZFJX-LBPRGKRZSA-N 1 0 231.343 2.161 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000649307566 388593592 /nfs/dbraw/zinc/59/35/92/388593592.db2.gz AXJSKUDFDFUTMD-RYUDHWBXSA-N 1 0 221.300 2.006 20 30 BEEDRO Cc1ccnc(N[C@@H]2CC[N@@H+](C(C)C)C2)c1C#N ZINC000273278181 388594230 /nfs/dbraw/zinc/59/42/30/388594230.db2.gz CWJNMGLGRYPDIR-GFCCVEGCSA-N 1 0 244.342 2.156 20 30 BEEDRO CCCC[N@H+](C)CCNc1ccc(C#N)cn1 ZINC000301240236 388609993 /nfs/dbraw/zinc/60/99/93/388609993.db2.gz NXRCJOFMLWCTNC-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CCCC[N@H+](C)CCNc1ccc(C#N)nc1 ZINC000301525671 388612690 /nfs/dbraw/zinc/61/26/90/388612690.db2.gz PNTBTIHVEHKJKT-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2ncccc2C#N)CC1 ZINC000299504631 388614667 /nfs/dbraw/zinc/61/46/67/388614667.db2.gz ORPKZVWIJPBNNC-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000366074774 388564688 /nfs/dbraw/zinc/56/46/88/388564688.db2.gz STONABHHYZGHQN-XQQFMLRXSA-N 1 0 221.344 2.500 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000130697863 388565561 /nfs/dbraw/zinc/56/55/61/388565561.db2.gz RPCUGXWTKZQMPD-GWCFXTLKSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000528758929 388567820 /nfs/dbraw/zinc/56/78/20/388567820.db2.gz MGGQEXZNLNCCRG-CTASWTNQSA-N 1 0 243.350 2.440 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCC(C)(C)C#N ZINC000528770790 388570206 /nfs/dbraw/zinc/57/02/06/388570206.db2.gz ZNKUEIBOCXWSHL-NNYUYHANSA-N 1 0 224.348 2.328 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000549081389 388572580 /nfs/dbraw/zinc/57/25/80/388572580.db2.gz SONIVRKMPXYPHT-VIFPVBQESA-N 1 0 205.248 2.266 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccnn1CC ZINC000385065246 388573668 /nfs/dbraw/zinc/57/36/68/388573668.db2.gz VFXDELGLDONLKD-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO CC[C@H]1C[N@H+](CCCSCC#N)C[C@@H](C)O1 ZINC000245492573 388584566 /nfs/dbraw/zinc/58/45/66/388584566.db2.gz JSSOGUUUFGGKEI-NEPJUHHUSA-N 1 0 242.388 2.133 20 30 BEEDRO CC(C)(C[NH2+]Cc1ccc(C#N)o1)OCC1CC1 ZINC000414513773 388665023 /nfs/dbraw/zinc/66/50/23/388665023.db2.gz GTKBGFRCLMFOJO-UHFFFAOYSA-N 1 0 248.326 2.446 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](CO)C1 ZINC000124976288 388666728 /nfs/dbraw/zinc/66/67/28/388666728.db2.gz JOKGPHGOPFBWOJ-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO CC1(C)COCCN1Cc1ccc(C#N)c(F)c1 ZINC000191962703 388672056 /nfs/dbraw/zinc/67/20/56/388672056.db2.gz LSTZSWLJFLGEFB-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966482 388686218 /nfs/dbraw/zinc/68/62/18/388686218.db2.gz AGXBMTZYZMLCEQ-LALPHHSUSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000418124232 388674597 /nfs/dbraw/zinc/67/45/97/388674597.db2.gz MCXSMBUQNWJVFI-GRYCIOLGSA-N 1 0 231.343 2.373 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCS[C@@H](C)CC1 ZINC000192191225 388675864 /nfs/dbraw/zinc/67/58/64/388675864.db2.gz MRVKCTGEJUOQTH-NWDGAFQWSA-N 1 0 229.389 2.141 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1ccncc1 ZINC000125754149 388677164 /nfs/dbraw/zinc/67/71/64/388677164.db2.gz VKXUHAQNRDAULP-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CCc1ccco1 ZINC000538196199 388679832 /nfs/dbraw/zinc/67/98/32/388679832.db2.gz XRDYTCSUOUBLJY-CHWSQXEVSA-N 1 0 237.343 2.375 20 30 BEEDRO C[C@H](C[S@](C)=O)[N@H+](C)CCCC(C)(C)C#N ZINC000125949655 388683206 /nfs/dbraw/zinc/68/32/06/388683206.db2.gz PBKWBFPPWXWVPN-BDJLRTHQSA-N 1 0 244.404 2.015 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248521784 388683314 /nfs/dbraw/zinc/68/33/14/388683314.db2.gz RSIMUZCZIZSSQW-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCCC(C)C ZINC000125943404 388683400 /nfs/dbraw/zinc/68/34/00/388683400.db2.gz SLKJIAMMQQRBAO-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCCC(C)(C)C#N ZINC000125949894 388683622 /nfs/dbraw/zinc/68/36/22/388683622.db2.gz PBKWBFPPWXWVPN-ZBEGNZNMSA-N 1 0 244.404 2.015 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000357991380 388618946 /nfs/dbraw/zinc/61/89/46/388618946.db2.gz IVPBPOJLBDYODZ-SLEUVZQESA-N 1 0 243.354 2.159 20 30 BEEDRO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccc(C#N)cc1 ZINC000357991378 388619548 /nfs/dbraw/zinc/61/95/48/388619548.db2.gz IVPBPOJLBDYODZ-HUBLWGQQSA-N 1 0 243.354 2.159 20 30 BEEDRO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccc(C#N)cc1 ZINC000357991385 388619607 /nfs/dbraw/zinc/61/96/07/388619607.db2.gz IVPBPOJLBDYODZ-XUJVJEKNSA-N 1 0 243.354 2.159 20 30 BEEDRO C[C@H](CN[C@@H](C)c1ccc(C#N)cc1F)[NH+](C)C ZINC000358576290 388623926 /nfs/dbraw/zinc/62/39/26/388623926.db2.gz TXHZGPRBWPJUCH-MNOVXSKESA-N 1 0 249.333 2.298 20 30 BEEDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(C#N)cc1F ZINC000358580357 388624501 /nfs/dbraw/zinc/62/45/01/388624501.db2.gz XLRXWMDSADTSBW-LLVKDONJSA-N 1 0 247.317 2.054 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154551882 388626400 /nfs/dbraw/zinc/62/64/00/388626400.db2.gz UIGRHHWEVIKLDL-UPJWGTAASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154551778 388626623 /nfs/dbraw/zinc/62/66/23/388626623.db2.gz UIGRHHWEVIKLDL-XQQFMLRXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCCC[N@@H+](C)CCOCC(F)F ZINC000189360377 388632523 /nfs/dbraw/zinc/63/25/23/388632523.db2.gz WUZXFVLWDQYQHJ-UHFFFAOYSA-N 1 0 207.264 2.166 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)s1 ZINC000230162821 388634968 /nfs/dbraw/zinc/63/49/68/388634968.db2.gz OMPJPGMPLZMFLK-SNVBAGLBSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000230151646 388635116 /nfs/dbraw/zinc/63/51/16/388635116.db2.gz ASPMCMLHEGITRF-BXKDBHETSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000230314989 388636254 /nfs/dbraw/zinc/63/62/54/388636254.db2.gz QNQOYNYTSJYVLM-GJZGRUSLSA-N 1 0 242.322 2.215 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230314982 388636911 /nfs/dbraw/zinc/63/69/11/388636911.db2.gz QNQOYNYTSJYVLM-LSDHHAIUSA-N 1 0 242.322 2.215 20 30 BEEDRO CC(C)[C@@H](O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000304376107 388640144 /nfs/dbraw/zinc/64/01/44/388640144.db2.gz XGWZYDNFPSOMTK-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000304352692 388640152 /nfs/dbraw/zinc/64/01/52/388640152.db2.gz VXEDZKWWUHWUBS-SNVBAGLBSA-N 1 0 236.315 2.038 20 30 BEEDRO N#Cc1ncccc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000515165845 388646602 /nfs/dbraw/zinc/64/66/02/388646602.db2.gz KSKRJGGXNZZBNU-HAQNSBGRSA-N 1 0 245.326 2.097 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCOC1 ZINC000111162680 388655966 /nfs/dbraw/zinc/65/59/66/388655966.db2.gz UIXRJUYOIGVMPQ-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000252672833 388658816 /nfs/dbraw/zinc/65/88/16/388658816.db2.gz DCXWELBSERQTKD-HNNXBMFYSA-N 1 0 241.338 2.233 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000063191708 388659689 /nfs/dbraw/zinc/65/96/89/388659689.db2.gz LEZNUOQMVKRVSK-SWLSCSKDSA-N 1 0 243.354 2.260 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H](O)C(C)C ZINC000414537395 388664488 /nfs/dbraw/zinc/66/44/88/388664488.db2.gz YXFHIQJNNLSBSY-QWHCGFSZSA-N 1 0 236.315 2.036 20 30 BEEDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000414502065 388664520 /nfs/dbraw/zinc/66/45/20/388664520.db2.gz OOIVVXXQGFTILJ-IINYFYTJSA-N 1 0 248.326 2.444 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000447575643 388736724 /nfs/dbraw/zinc/73/67/24/388736724.db2.gz UGCAINIRELOSMU-KGLIPLIRSA-N 1 0 230.311 2.388 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CCO)c1ccc(C#N)cc1 ZINC000278805574 388757532 /nfs/dbraw/zinc/75/75/32/388757532.db2.gz RNJXKKLIUZHQSK-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C[N@H+](Cc1cnc2ccc(C#N)cn12)C1CCC1 ZINC000093475766 388743317 /nfs/dbraw/zinc/74/33/17/388743317.db2.gz URYMZWIPQFHGEW-UHFFFAOYSA-N 1 0 240.310 2.190 20 30 BEEDRO C=CCCOCC[NH2+][C@H](CC)C1CCOCC1 ZINC000539054695 388746425 /nfs/dbraw/zinc/74/64/25/388746425.db2.gz MVHALVGWTVDNAO-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCC2CCOCC2)o1 ZINC000449354230 388747996 /nfs/dbraw/zinc/74/79/96/388747996.db2.gz LGYUYJYEYFVICA-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](C)CCCO)ccc1C#N ZINC000449408812 388749840 /nfs/dbraw/zinc/74/98/40/388749840.db2.gz PWFYOFHODWTVLO-LBPRGKRZSA-N 1 0 246.354 2.365 20 30 BEEDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229794 388689535 /nfs/dbraw/zinc/68/95/35/388689535.db2.gz CBIHEXMQMNUJTK-GWCFXTLKSA-N 1 0 247.317 2.100 20 30 BEEDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266748 388689951 /nfs/dbraw/zinc/68/99/51/388689951.db2.gz CFXHVSIQBYBWSR-XPTSAGLGSA-N 1 0 247.317 2.085 20 30 BEEDRO CC[NH2+]CCN[C@H](CC)c1ccc(C#N)cc1 ZINC000423245566 388689977 /nfs/dbraw/zinc/68/99/77/388689977.db2.gz YQPSFUVPPNPKSZ-CQSZACIVSA-N 1 0 231.343 2.208 20 30 BEEDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1 ZINC000423269803 388690349 /nfs/dbraw/zinc/69/03/49/388690349.db2.gz HQAFCOGSSFCGTR-FZMZJTMJSA-N 1 0 231.343 2.192 20 30 BEEDRO COCC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248721498 388690621 /nfs/dbraw/zinc/69/06/21/388690621.db2.gz CJVFELVSJRPWOP-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[NH2+]CCN[C@@H](C)c1cccc(C#N)c1 ZINC000423314192 388691016 /nfs/dbraw/zinc/69/10/16/388691016.db2.gz VLSMISCDQJPVCS-LBPRGKRZSA-N 1 0 231.343 2.208 20 30 BEEDRO Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000552319238 388692889 /nfs/dbraw/zinc/69/28/89/388692889.db2.gz HRGAIQWCGVDRFD-WCFLWFBJSA-N 1 0 244.342 2.153 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(C#N)cc1 ZINC000423377875 388693231 /nfs/dbraw/zinc/69/32/31/388693231.db2.gz KPBCZGJNCKMYHX-NEPJUHHUSA-N 1 0 231.343 2.207 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCO1 ZINC000248867736 388696735 /nfs/dbraw/zinc/69/67/35/388696735.db2.gz QHIOLEBROUXPFE-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H]([NH2+]CC1COC1)c1ccc(C#N)cc1 ZINC000528024258 388703568 /nfs/dbraw/zinc/70/35/68/388703568.db2.gz DENCRUNVUPMMML-CQSZACIVSA-N 1 0 230.311 2.245 20 30 BEEDRO COC(=O)CC[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425548182 388706910 /nfs/dbraw/zinc/70/69/10/388706910.db2.gz XWJMBYBLBWBBIS-LLVKDONJSA-N 1 0 246.310 2.114 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000193579090 388709258 /nfs/dbraw/zinc/70/92/58/388709258.db2.gz PSSYVECALMUDGK-OLZOCXBDSA-N 1 0 211.349 2.293 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2CC=CC2)cc1 ZINC000530237670 388713163 /nfs/dbraw/zinc/71/31/63/388713163.db2.gz XCZYWEDHINWCOW-OAHLLOKOSA-N 1 0 242.322 2.147 20 30 BEEDRO CCC[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000068765664 388717201 /nfs/dbraw/zinc/71/72/01/388717201.db2.gz KHXZZMUHZIZYPC-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO Cn1cc(C[NH+]2CCCCCC2)cc1C#N ZINC000261082360 388729501 /nfs/dbraw/zinc/72/95/01/388729501.db2.gz SEVIGXRCTHVDPP-UHFFFAOYSA-N 1 0 217.316 2.273 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000091772825 388730796 /nfs/dbraw/zinc/73/07/96/388730796.db2.gz UTVDBSRAYVMTME-LLVKDONJSA-N 1 0 236.340 2.231 20 30 BEEDRO CC[C@@H](COC)[NH2+]CC(C)(C)CCC#N ZINC000229696253 388798647 /nfs/dbraw/zinc/79/86/47/388798647.db2.gz TZAVQYLSKSSVEA-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CN(CCC[NH+]1CCCC1)Cc1ccc(C#N)o1 ZINC000281429299 388801770 /nfs/dbraw/zinc/80/17/70/388801770.db2.gz ZKTQXIPQCBHPPK-UHFFFAOYSA-N 1 0 247.342 2.069 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000229879196 388802038 /nfs/dbraw/zinc/80/20/38/388802038.db2.gz LWCXRQAMJFCRAC-SECBINFHSA-N 1 0 204.298 2.121 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000229891240 388802975 /nfs/dbraw/zinc/80/29/75/388802975.db2.gz BPJOGJMMMDDVNX-AWEZNQCLSA-N 1 0 239.322 2.374 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000229898548 388805296 /nfs/dbraw/zinc/80/52/96/388805296.db2.gz FRIMLVANVAKKNR-SNVBAGLBSA-N 1 0 248.292 2.015 20 30 BEEDRO C[C@@H]([NH2+]CCCCO)c1ccc(C#N)c(F)c1 ZINC000279418374 388766039 /nfs/dbraw/zinc/76/60/39/388766039.db2.gz FKWRVGFIRUCTPX-SNVBAGLBSA-N 1 0 236.290 2.120 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@@H](C)C1 ZINC000282309726 388814973 /nfs/dbraw/zinc/81/49/73/388814973.db2.gz MWPFUPNVAZAVEN-QWRGUYRKSA-N 1 0 234.299 2.151 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000283732373 388823872 /nfs/dbraw/zinc/82/38/72/388823872.db2.gz IAVGIZPDKZMFMT-BXUZGUMPSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCn1cccn1)C1CC1 ZINC000129270884 388827648 /nfs/dbraw/zinc/82/76/48/388827648.db2.gz PSSSRHXEGIRPKD-CYBMUJFWSA-N 1 0 219.332 2.218 20 30 BEEDRO CCC[C@]1([NH2+]Cc2ccc(C#N)o2)CCOC1 ZINC000285493228 388835365 /nfs/dbraw/zinc/83/53/65/388835365.db2.gz MFZROJSWYAWKDX-ZDUSSCGKSA-N 1 0 234.299 2.200 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)Nc1ccccn1 ZINC000541768757 388867046 /nfs/dbraw/zinc/86/70/46/388867046.db2.gz NTWKBMHSCQWQRF-GFCCVEGCSA-N 1 0 247.342 2.355 20 30 BEEDRO C[C@H]1CSCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001645505126 1172676617 /nfs/dbraw/zinc/67/66/17/1172676617.db2.gz LZRGBGVAOGKGDQ-LLVKDONJSA-N 1 0 247.367 2.138 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000648763565 388847002 /nfs/dbraw/zinc/84/70/02/388847002.db2.gz HSEBUMJKSJXSLF-FQUUOJAGSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000564776240 388888074 /nfs/dbraw/zinc/88/80/74/388888074.db2.gz UMJNXTLSNPWCLJ-CYBMUJFWSA-N 1 0 234.347 2.271 20 30 BEEDRO CCOCCC1(C[NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000564852471 388893627 /nfs/dbraw/zinc/89/36/27/388893627.db2.gz LZRAPKBBSXPTGH-CYBMUJFWSA-N 1 0 249.358 2.226 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000565152176 388918815 /nfs/dbraw/zinc/91/88/15/388918815.db2.gz XFHOXVCTZZPAPH-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000565205719 388926121 /nfs/dbraw/zinc/92/61/21/388926121.db2.gz CVLOLQWEBWFBRH-LBPRGKRZSA-N 1 0 249.358 2.451 20 30 BEEDRO C=C(CC)C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000565873666 388975339 /nfs/dbraw/zinc/97/53/39/388975339.db2.gz SASBRLSOWSJNBI-UHFFFAOYSA-N 1 0 246.358 2.001 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCCC[NH2+]CCC#N)C1 ZINC000565887001 388976454 /nfs/dbraw/zinc/97/64/54/388976454.db2.gz BYWMIXGYIZDOMF-CYBMUJFWSA-N 1 0 223.364 2.002 20 30 BEEDRO C=CC[NH+](CC=C)[C@H](CNCCC#N)C(C)C ZINC000566116980 388988940 /nfs/dbraw/zinc/98/89/40/388988940.db2.gz LIFWJMXHAHRWCQ-CQSZACIVSA-N 1 0 235.375 2.188 20 30 BEEDRO N#CCC1(C[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000566123837 388989444 /nfs/dbraw/zinc/98/94/44/388989444.db2.gz FMOJFSMIZSPYTE-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)C[NH2+]C(CC)(CC)CC(=O)OC ZINC000267932940 389002157 /nfs/dbraw/zinc/00/21/57/389002157.db2.gz OXGDZYILACWAJX-UHFFFAOYSA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(C)o1 ZINC000272509751 389032881 /nfs/dbraw/zinc/03/28/81/389032881.db2.gz GBWKYCSHGSHNHA-NSHDSACASA-N 1 0 209.289 2.441 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000272922865 389036034 /nfs/dbraw/zinc/03/60/34/389036034.db2.gz JDOXDYZUVIJWKI-BDJLRTHQSA-N 1 0 235.352 2.098 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1csc(C)n1 ZINC000273384655 389041182 /nfs/dbraw/zinc/04/11/82/389041182.db2.gz CQBKVJNVRQUVDX-PSASIEDQSA-N 1 0 226.345 2.039 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC001172494379 974844634 /nfs/dbraw/zinc/84/46/34/974844634.db2.gz TVQMTBQCYLNGTP-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])NC1CCCCCC1 ZINC000262553577 533236423 /nfs/dbraw/zinc/23/64/23/533236423.db2.gz VOOUCCGKKZLHME-NSHDSACASA-N 1 0 221.348 2.025 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)c(C)c2)C1 ZINC000510114637 533291141 /nfs/dbraw/zinc/29/11/41/533291141.db2.gz WGCDZOBJRXEDQS-GASCZTMLSA-N 1 0 244.338 2.476 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000290386920 533343518 /nfs/dbraw/zinc/34/35/18/533343518.db2.gz BJTUALVWLVLHAA-NEPJUHHUSA-N 1 0 217.312 2.181 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)cc1 ZINC000293959205 533343931 /nfs/dbraw/zinc/34/39/31/533343931.db2.gz JGSFMUPAZPXWBN-XJKSGUPXSA-N 1 0 243.350 2.309 20 30 BEEDRO C[NH+]=C(NCCSc1ccccc1)NC1CC1 ZINC000264033922 533477957 /nfs/dbraw/zinc/47/79/57/533477957.db2.gz FMGIDZXPHLNORQ-UHFFFAOYSA-N 1 0 249.383 2.106 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000351815682 533484054 /nfs/dbraw/zinc/48/40/54/533484054.db2.gz NQUYDHMJOVKFMN-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000181287446 533494923 /nfs/dbraw/zinc/49/49/23/533494923.db2.gz CDAXFBDFFZAACZ-UHFFFAOYSA-N 1 0 226.364 2.140 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000351729693 533501329 /nfs/dbraw/zinc/50/13/29/533501329.db2.gz HGMSYHYMBRJXLF-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1ccc(N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000070171302 132229840 /nfs/dbraw/zinc/22/98/40/132229840.db2.gz SWCQIVQUJIOQGK-CYBMUJFWSA-N 1 0 229.327 2.123 20 30 BEEDRO N#Cc1cc(F)ccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171229 132229897 /nfs/dbraw/zinc/22/98/97/132229897.db2.gz BCDSEWKUPFPMMH-NSHDSACASA-N 1 0 247.317 2.263 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001172498253 974847497 /nfs/dbraw/zinc/84/74/97/974847497.db2.gz KJUVDSCNKYNQKL-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO N#Cc1c(Cl)cccc1N1CCC[C@@H]([NH3+])C1 ZINC000052906172 132362876 /nfs/dbraw/zinc/36/28/76/132362876.db2.gz FXNPYVHRKZKMEC-SECBINFHSA-N 1 0 235.718 2.139 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000055079961 132365288 /nfs/dbraw/zinc/36/52/88/132365288.db2.gz QHTDJLPAXXUCPD-ZDUSSCGKSA-N 1 0 243.354 2.479 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001172496802 974848583 /nfs/dbraw/zinc/84/85/83/974848583.db2.gz RAKXBHJGLARUTE-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1ncc(C[N@@H+](C)[C@@H](C)CCCC#N)cn1 ZINC001172498145 974848667 /nfs/dbraw/zinc/84/86/67/974848667.db2.gz JFUJFWPVDYCTQB-NSHDSACASA-N 1 0 232.331 2.299 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000309104020 133456682 /nfs/dbraw/zinc/45/66/82/133456682.db2.gz HBLXMVBYGIOQBE-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1F ZINC000188457742 133456800 /nfs/dbraw/zinc/45/68/00/133456800.db2.gz CDHUATKEWJTPHF-WCQYABFASA-N 1 0 237.318 2.283 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCOC1 ZINC000309113825 133457399 /nfs/dbraw/zinc/45/73/99/133457399.db2.gz KPWRPIMSVPZIAW-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000309222565 133470531 /nfs/dbraw/zinc/47/05/31/133470531.db2.gz VMEKTMWAZAJNCW-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000273331887 133545290 /nfs/dbraw/zinc/54/52/90/133545290.db2.gz JTVVTSKRQSADMY-LLVKDONJSA-N 1 0 231.343 2.199 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])N(C)C2CC2)c(C)c1 ZINC000273370424 133545398 /nfs/dbraw/zinc/54/53/98/133545398.db2.gz VNCHJUUZLQVCGX-UHFFFAOYSA-N 1 0 231.343 2.212 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCC[C@H](C)O)cc1C ZINC000278740135 133553713 /nfs/dbraw/zinc/55/37/13/133553713.db2.gz LWDAFMJQLSRTMY-LBPRGKRZSA-N 1 0 249.358 2.191 20 30 BEEDRO C[C@@H]1COCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000284916812 133563091 /nfs/dbraw/zinc/56/30/91/133563091.db2.gz BNRCAMULXMVQNT-VXGBXAGGSA-N 1 0 247.342 2.086 20 30 BEEDRO C[C@H]1COCC[C@@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000284916803 133563117 /nfs/dbraw/zinc/56/31/17/133563117.db2.gz BNRCAMULXMVQNT-NWDGAFQWSA-N 1 0 247.342 2.086 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000343497933 133689722 /nfs/dbraw/zinc/68/97/22/133689722.db2.gz GQKNTZRVNGOYMU-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1CCNC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516796 133872775 /nfs/dbraw/zinc/87/27/75/133872775.db2.gz UQGRXOGMJHCCBU-ZIHBUVQPSA-N 1 0 235.375 2.046 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCn3ccnc32)C1 ZINC000331625485 134000997 /nfs/dbraw/zinc/00/09/97/134000997.db2.gz YKXBKTYJJKQFBZ-UPJWGTAASA-N 1 0 244.342 2.042 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCn3ccnc32)C1 ZINC000331625476 134001103 /nfs/dbraw/zinc/00/11/03/134001103.db2.gz YKXBKTYJJKQFBZ-AGIUHOORSA-N 1 0 244.342 2.042 20 30 BEEDRO C[C@@](O)(C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000332116777 134004168 /nfs/dbraw/zinc/00/41/68/134004168.db2.gz GOKJFAROLUIDOH-JXQTWKCFSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000332238773 134004482 /nfs/dbraw/zinc/00/44/82/134004482.db2.gz SYIBHZFLDANXLF-AAVRWANBSA-N 1 0 236.359 2.352 20 30 BEEDRO CC#CC[N@@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000351935345 134013938 /nfs/dbraw/zinc/01/39/38/134013938.db2.gz JIXPWPLNCAGMJS-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000335944289 134019231 /nfs/dbraw/zinc/01/92/31/134019231.db2.gz BMIWCZIHXQNWRG-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(C)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000335944290 134019390 /nfs/dbraw/zinc/01/93/90/134019390.db2.gz BMIWCZIHXQNWRG-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO C[C@H]1C[C@@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335968480 134028856 /nfs/dbraw/zinc/02/88/56/134028856.db2.gz CTWMKCBZEBJESM-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO CC1CC[NH+](CCN2CCC(C)(C#N)CC2)CC1 ZINC000335973913 134030602 /nfs/dbraw/zinc/03/06/02/134030602.db2.gz KSJIEXWUUVWGCA-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cc(C#N)cs1 ZINC000352086419 134060988 /nfs/dbraw/zinc/06/09/88/134060988.db2.gz BWKSPSABKDAXRP-SECBINFHSA-N 1 0 219.313 2.211 20 30 BEEDRO CCOc1cccc(CN(C)C[C@@H](C)C#N)n1 ZINC000352096747 134063167 /nfs/dbraw/zinc/06/31/67/134063167.db2.gz JMRUDGDBSLIVJV-NSHDSACASA-N 1 0 233.315 2.072 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC(C)(C)CCC#N ZINC000352097959 134065009 /nfs/dbraw/zinc/06/50/09/134065009.db2.gz XWFMCLIYFZNHHH-LLVKDONJSA-N 1 0 207.321 2.408 20 30 BEEDRO CC#CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000336119508 134089811 /nfs/dbraw/zinc/08/98/11/134089811.db2.gz YBDIEKIZBSPLSX-OCCSQVGLSA-N 1 0 214.312 2.488 20 30 BEEDRO C=CCN(C)C(=O)Nc1ccc2nc(C)cn2c1 ZINC000336119738 134090125 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ZINC000374560997 134237167 /nfs/dbraw/zinc/23/71/67/134237167.db2.gz LFGSLRBTRXHSET-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C=CCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000374857720 134238157 /nfs/dbraw/zinc/23/81/57/134238157.db2.gz OXEZEPLQYSNIGB-CQSZACIVSA-N 1 0 235.302 2.295 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000374975909 134238511 /nfs/dbraw/zinc/23/85/11/134238511.db2.gz DJAPDIKYOSTEFV-CABCVRRESA-N 1 0 229.323 2.377 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000305097950 134239537 /nfs/dbraw/zinc/23/95/37/134239537.db2.gz WEKKOCQTTHZESR-WOPDTQHZSA-N 1 0 229.389 2.139 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000305092867 134239813 /nfs/dbraw/zinc/23/98/13/134239813.db2.gz QOSQJEUVJHATCW-KBPBESRZSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000305097948 134239983 /nfs/dbraw/zinc/23/99/83/134239983.db2.gz WEKKOCQTTHZESR-TUAOUCFPSA-N 1 0 229.389 2.139 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCCC(C)(C)C#N)[C@H]1CO ZINC000305271727 134241043 /nfs/dbraw/zinc/24/10/43/134241043.db2.gz YLIXWFMXXSERID-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000305669492 134241928 /nfs/dbraw/zinc/24/19/28/134241928.db2.gz JFTWZMBSYVMGGD-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000305669499 134242012 /nfs/dbraw/zinc/24/20/12/134242012.db2.gz JFTWZMBSYVMGGD-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)COc1cccc(C)c1 ZINC000305841004 134243155 /nfs/dbraw/zinc/24/31/55/134243155.db2.gz ZERSCSZGZLNPKB-AWEZNQCLSA-N 1 0 249.354 2.243 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C ZINC000174421794 134281890 /nfs/dbraw/zinc/28/18/90/134281890.db2.gz KUVWLUYSCUSHJV-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CCO1 ZINC000219893977 134292522 /nfs/dbraw/zinc/29/25/22/134292522.db2.gz AJHTUBBEASPYHM-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CCO1 ZINC000219894015 134292726 /nfs/dbraw/zinc/29/27/26/134292726.db2.gz AJHTUBBEASPYHM-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccc2c1OCO2 ZINC000181045997 134333141 /nfs/dbraw/zinc/33/31/41/134333141.db2.gz KEGHTGIOPBIORI-UHFFFAOYSA-N 1 0 219.284 2.423 20 30 BEEDRO C=C(C)CN(C)CC[NH+]1CCC(C)CC1 ZINC000181323898 134335439 /nfs/dbraw/zinc/33/54/39/134335439.db2.gz DYVHXFYWALFAOK-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)[C@@H]1CCOC1 ZINC000227016858 134373542 /nfs/dbraw/zinc/37/35/42/134373542.db2.gz YSLUKZVQHKRZOT-ZWNOBZJWSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000185425828 134380325 /nfs/dbraw/zinc/38/03/25/134380325.db2.gz UJZDYKHIDDKXAX-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)[C@@H]1COc2ccccc21 ZINC000185588043 134382111 /nfs/dbraw/zinc/38/21/11/134382111.db2.gz KGICTWFSHBRNLF-YPMHNXCESA-N 1 0 230.311 2.444 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000185794059 134394730 /nfs/dbraw/zinc/39/47/30/134394730.db2.gz GTGBFEKSWOLDTN-PWSUYJOCSA-N 1 0 204.273 2.452 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000334360204 134399846 /nfs/dbraw/zinc/39/98/46/134399846.db2.gz YLDXCPHKOFUDGI-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000228852529 134434449 /nfs/dbraw/zinc/43/44/49/134434449.db2.gz UBIBDSCPECGUQX-IJLUTSLNSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCOC1 ZINC000309475589 134441811 /nfs/dbraw/zinc/44/18/11/134441811.db2.gz RURDFSWWEWANOK-QNWHQSFQSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(F)c1 ZINC000309513298 134444383 /nfs/dbraw/zinc/44/43/83/134444383.db2.gz QINQKZOOQZSJEP-GFCCVEGCSA-N 1 0 223.291 2.100 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccccc1Cl ZINC000104152943 134484187 /nfs/dbraw/zinc/48/41/87/134484187.db2.gz KCEMPPPYMMEVGY-UHFFFAOYSA-N 1 0 237.734 2.320 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000235439770 134592618 /nfs/dbraw/zinc/59/26/18/134592618.db2.gz DEEVXHWKFXDLBC-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000336708356 134604603 /nfs/dbraw/zinc/60/46/03/134604603.db2.gz QTPBIJZVPSVOGU-NWDGAFQWSA-N 1 0 218.300 2.494 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000336738883 134604954 /nfs/dbraw/zinc/60/49/54/134604954.db2.gz KQNBGVIIUIYGSO-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000126041016 134608899 /nfs/dbraw/zinc/60/88/99/134608899.db2.gz UICNLFCNMQUXAB-NSHDSACASA-N 1 0 205.301 2.441 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000126800142 134610174 /nfs/dbraw/zinc/61/01/74/134610174.db2.gz DWDRDWWQLYVOIR-GHMZBOCLSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CCCO)CC(C)(C)C ZINC000128359268 134611389 /nfs/dbraw/zinc/61/13/89/134611389.db2.gz MWMGUZJJHHWEIP-CYBMUJFWSA-N 1 0 243.391 2.044 20 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C=C[C@H](CO)[NH2+]CCCC1CCCCC1 ZINC000336744495 134924858 /nfs/dbraw/zinc/92/48/58/134924858.db2.gz ZMQDOUFBMVPUDQ-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccccn2)C1 ZINC000185710035 134931282 /nfs/dbraw/zinc/93/12/82/134931282.db2.gz QLHYJXWREFLYFQ-JSGCOSHPSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2cccnc2)C1 ZINC000185773709 134932188 /nfs/dbraw/zinc/93/21/88/134932188.db2.gz ZKUFYYQENIGDSL-UONOGXRCSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000185773730 134932929 /nfs/dbraw/zinc/93/29/29/134932929.db2.gz ZKUFYYQENIGDSL-KBPBESRZSA-N 1 0 229.327 2.296 20 30 BEEDRO COC[C@@H]([NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000336762068 134939847 /nfs/dbraw/zinc/93/98/47/134939847.db2.gz KXZUPAIHHFGPNM-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000301027127 134948795 /nfs/dbraw/zinc/94/87/95/134948795.db2.gz PVDCMIRRAGZVKJ-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](OCC)c1ccccc1 ZINC000194580722 134960736 /nfs/dbraw/zinc/96/07/36/134960736.db2.gz OJRXAFUYXODJEG-CYBMUJFWSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](CCC)CC(C)C)C1=O ZINC000337144062 135003384 /nfs/dbraw/zinc/00/33/84/135003384.db2.gz WDMPOGXVKFIUIT-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[N@@H+](CCC#N)CCCC1(C#N)CCOCC1 ZINC000337197166 135003818 /nfs/dbraw/zinc/00/38/18/135003818.db2.gz WVNSKNGHFUKRET-UHFFFAOYSA-N 1 0 249.358 2.323 20 30 BEEDRO C=CC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337199561 135005672 /nfs/dbraw/zinc/00/56/72/135005672.db2.gz YXMRVXAIKPDOHF-SNVBAGLBSA-N 1 0 237.265 2.198 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337374125 135013878 /nfs/dbraw/zinc/01/38/78/135013878.db2.gz AIYVVOPCPXPZED-ZJUUUORDSA-N 1 0 232.274 2.430 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)nn1C ZINC000337422971 135015378 /nfs/dbraw/zinc/01/53/78/135015378.db2.gz GDQFYTCNCMVTPD-LLVKDONJSA-N 1 0 232.331 2.073 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337420221 135016144 /nfs/dbraw/zinc/01/61/44/135016144.db2.gz FMEOMAJACPYUAN-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000337420220 135016235 /nfs/dbraw/zinc/01/62/35/135016235.db2.gz FMEOMAJACPYUAN-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2OC(F)F)C1 ZINC000337557313 135018978 /nfs/dbraw/zinc/01/89/78/135018978.db2.gz SDRWNHDHWSERSB-YTWAJWBKSA-N 1 0 244.285 2.429 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCOCC1 ZINC000248715170 135019702 /nfs/dbraw/zinc/01/97/02/135019702.db2.gz BSYGIDSZQKVPKG-SCRDCRAPSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000248694087 135019704 /nfs/dbraw/zinc/01/97/04/135019704.db2.gz YILFDYPMCUYZKE-WZRBSPASSA-N 1 0 235.327 2.430 20 30 BEEDRO C[N@H+](Cc1ccccc1)[C@@H]1CCN(CCC#N)C1 ZINC000365750787 135020796 /nfs/dbraw/zinc/02/07/96/135020796.db2.gz HDMYKUYJLVHARI-OAHLLOKOSA-N 1 0 243.354 2.106 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000337689940 135022339 /nfs/dbraw/zinc/02/23/39/135022339.db2.gz NLOKTPHQPOOZMU-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000248838080 135022686 /nfs/dbraw/zinc/02/26/86/135022686.db2.gz NHQHCLHVXSGTRO-ILXRZTDVSA-N 1 0 249.402 2.390 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C1 ZINC000248822532 135022795 /nfs/dbraw/zinc/02/27/95/135022795.db2.gz LMOYSCOSIQFAAI-MQYQWHSLSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCC23CCCC3)C1=O ZINC000354160892 135023847 /nfs/dbraw/zinc/02/38/47/135023847.db2.gz DAIUNLYPEPFYBA-QWHCGFSZSA-N 1 0 248.370 2.086 20 30 BEEDRO C[C@@H](C#N)CN(Cc1cccnc1)C1CC1 ZINC000338350904 135034541 /nfs/dbraw/zinc/03/45/41/135034541.db2.gz KSLABIFOGJRZKS-NSHDSACASA-N 1 0 215.300 2.206 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccncc1F ZINC000338344571 135034752 /nfs/dbraw/zinc/03/47/52/135034752.db2.gz NSMVECIWQBUHLK-WDEREUQCSA-N 1 0 238.306 2.198 20 30 BEEDRO CC[N@H+](CCC(C)(C)C(=O)OC)C[C@H](C)C#N ZINC000338545293 135038715 /nfs/dbraw/zinc/03/87/15/135038715.db2.gz XUPAZJLJVZUFIZ-LLVKDONJSA-N 1 0 240.347 2.057 20 30 BEEDRO C=CCC[NH+]1CCC(CC(=O)OCC)CC1 ZINC000338549559 135039575 /nfs/dbraw/zinc/03/95/75/135039575.db2.gz TWFBMXMFDBLBHL-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)s1 ZINC000249462675 135039619 /nfs/dbraw/zinc/03/96/19/135039619.db2.gz FWMSETOHTMTMHD-YNEHKIRRSA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCOCCSCC[NH+](CC)CC ZINC000338553972 135040071 /nfs/dbraw/zinc/04/00/71/135040071.db2.gz RSWWTBRFWRNNEB-UHFFFAOYSA-N 1 0 217.378 2.264 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000338540452 135040190 /nfs/dbraw/zinc/04/01/90/135040190.db2.gz PHSHZDSEHXBEKR-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCC[N@@H+](CCO)CC1CCCCC1 ZINC000338573514 135040706 /nfs/dbraw/zinc/04/07/06/135040706.db2.gz VQSQTAUDERCSAM-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000338568614 135041060 /nfs/dbraw/zinc/04/10/60/135041060.db2.gz NZLMACZGEQMDDJ-GFCCVEGCSA-N 1 0 242.326 2.494 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cccs1 ZINC000338896189 135046880 /nfs/dbraw/zinc/04/68/80/135046880.db2.gz WFTKHJDJBJDWAG-UHFFFAOYSA-N 1 0 211.330 2.383 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000338890236 135047380 /nfs/dbraw/zinc/04/73/80/135047380.db2.gz NZAXDMOURHMJNM-UHFFFAOYSA-N 1 0 230.311 2.193 20 30 BEEDRO Cc1cc([C@H]2CCC[N@@H+]2CCOCCC#N)on1 ZINC000338920903 135047976 /nfs/dbraw/zinc/04/79/76/135047976.db2.gz LLYVXQXGDUQFFI-GFCCVEGCSA-N 1 0 249.314 2.050 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000076738220 135048269 /nfs/dbraw/zinc/04/82/69/135048269.db2.gz IJVQGQMPBWAEOF-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCOCC[N@@H+](C)CCC(F)(F)F ZINC000338951727 135048725 /nfs/dbraw/zinc/04/87/25/135048725.db2.gz LIRUWLDYMUUYEJ-UHFFFAOYSA-N 1 0 211.227 2.073 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](n3cccn3)C2)C1 ZINC000338953825 135049227 /nfs/dbraw/zinc/04/92/27/135049227.db2.gz KXEMUSWWCZGSHA-MCIONIFRSA-N 1 0 244.342 2.212 20 30 BEEDRO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CC[C@@H](C#N)C1 ZINC000338983467 135050554 /nfs/dbraw/zinc/05/05/54/135050554.db2.gz XDZREPUZIJPGDO-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000339005366 135051327 /nfs/dbraw/zinc/05/13/27/135051327.db2.gz NKJIBACVWJHHNN-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000339005365 135051594 /nfs/dbraw/zinc/05/15/94/135051594.db2.gz NKJIBACVWJHHNN-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2CCO[C@@H](c3ccco3)C2)C1 ZINC000339018493 135052509 /nfs/dbraw/zinc/05/25/09/135052509.db2.gz ZBKWGPJNDKYWMG-MBNYWOFBSA-N 1 0 246.310 2.345 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000339031044 135053282 /nfs/dbraw/zinc/05/32/82/135053282.db2.gz AZDKTJPEYYOCHC-HNNXBMFYSA-N 1 0 246.354 2.375 20 30 BEEDRO CC(C)[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000076969644 135053691 /nfs/dbraw/zinc/05/36/91/135053691.db2.gz XMSWVGBSFLGRSA-UHFFFAOYSA-N 1 0 243.354 2.479 20 30 BEEDRO CC(C)[N@H+](CCOCCC#N)Cc1cccnc1 ZINC000339055110 135054022 /nfs/dbraw/zinc/05/40/22/135054022.db2.gz VXBSBFDWUJFYRL-UHFFFAOYSA-N 1 0 247.342 2.222 20 30 BEEDRO C[C@H]1CC[N@H+](CCOCCC#N)C[C@H](C)C1 ZINC000339050725 135054209 /nfs/dbraw/zinc/05/42/09/135054209.db2.gz LLZWKSIQUDVKIB-QWHCGFSZSA-N 1 0 224.348 2.285 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000339069585 135056353 /nfs/dbraw/zinc/05/63/53/135056353.db2.gz XTQTVIYHCZPZGP-DLOVCJGASA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)c1nccs1 ZINC000339083732 135057604 /nfs/dbraw/zinc/05/76/04/135057604.db2.gz OGJGDAXHKXKYDF-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000339093207 135058660 /nfs/dbraw/zinc/05/86/60/135058660.db2.gz ZKMRFKQKOXFCKX-ZIAGYGMSSA-N 1 0 249.358 2.159 20 30 BEEDRO C=CCOCC[N@@H+]1CCS[C@H](C)CC1 ZINC000339123518 135059120 /nfs/dbraw/zinc/05/91/20/135059120.db2.gz GJVDMAPVGJMXGX-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000339116822 135060858 /nfs/dbraw/zinc/06/08/58/135060858.db2.gz BXSRLLSBHYDGHY-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO CO[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339140024 135061035 /nfs/dbraw/zinc/06/10/35/135061035.db2.gz KPRWXZRBGRZKSP-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000339116819 135061528 /nfs/dbraw/zinc/06/15/28/135061528.db2.gz BXSRLLSBHYDGHY-AWEZNQCLSA-N 1 0 241.375 2.062 20 30 BEEDRO CO[C@]1(C)CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339140020 135061809 /nfs/dbraw/zinc/06/18/09/135061809.db2.gz KPRWXZRBGRZKSP-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCCO1 ZINC000339157588 135062642 /nfs/dbraw/zinc/06/26/42/135062642.db2.gz LGAYEYOAWSLREO-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000339203025 135064696 /nfs/dbraw/zinc/06/46/96/135064696.db2.gz SHDULEXHGWLLEF-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000339207949 135066889 /nfs/dbraw/zinc/06/68/89/135066889.db2.gz MWBIAOAEYMTXDC-WDEREUQCSA-N 1 0 231.286 2.166 20 30 BEEDRO C=CCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000339394184 135073011 /nfs/dbraw/zinc/07/30/11/135073011.db2.gz NMSFTOUAZKDGBK-UHFFFAOYSA-N 1 0 221.304 2.306 20 30 BEEDRO C[C@@H]([NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000163712180 135075606 /nfs/dbraw/zinc/07/56/06/135075606.db2.gz XMYHKVONZKYPKZ-LLVKDONJSA-N 1 0 230.311 2.325 20 30 BEEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)CO ZINC000339629526 135076636 /nfs/dbraw/zinc/07/66/36/135076636.db2.gz UAVKWDWMYRGGPN-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]CCCSCC#N ZINC000308594215 135079244 /nfs/dbraw/zinc/07/92/44/135079244.db2.gz XMRKLMYHSOIMRQ-GHMZBOCLSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000308566092 135079623 /nfs/dbraw/zinc/07/96/23/135079623.db2.gz YIKMZIDDLWXVLW-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO CC#CCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339769124 135081719 /nfs/dbraw/zinc/08/17/19/135081719.db2.gz KUHTXCZCGCYJCR-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000086500201 135087417 /nfs/dbraw/zinc/08/74/17/135087417.db2.gz SWDKFKUCLZWVLW-JTQLQIEISA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000252775944 135108860 /nfs/dbraw/zinc/10/88/60/135108860.db2.gz XPCCKYVSIDXLMQ-GRYCIOLGSA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2cccc3ccccc32)N1 ZINC000261554977 135109108 /nfs/dbraw/zinc/10/91/08/135109108.db2.gz BEITTXQEGMMEAN-LLVKDONJSA-N 1 0 239.322 2.277 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CC[S@](C)=O ZINC000252811714 135111672 /nfs/dbraw/zinc/11/16/72/135111672.db2.gz OXFOUMFLGFISHN-MJVIPROJSA-N 1 0 217.378 2.088 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000252811139 135112095 /nfs/dbraw/zinc/11/20/95/135112095.db2.gz OCFQGWWBSVBXCM-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO CCc1ccc(C[NH+]=C(N(C)C)N(C)C)s1 ZINC000261993821 135114298 /nfs/dbraw/zinc/11/42/98/135114298.db2.gz NAWFADZBTPNDSH-UHFFFAOYSA-N 1 0 239.388 2.290 20 30 BEEDRO C[C@H]1Oc2ccccc2[C@H]1NC(=[NH2+])NC(C)(C)C ZINC000262325206 135117918 /nfs/dbraw/zinc/11/79/18/135117918.db2.gz WVLFIUSFUKBKJE-SKDRFNHKSA-N 1 0 247.342 2.211 20 30 BEEDRO [NH2+]=C(Nc1cc(F)ccc1F)NC1CCC1 ZINC000262296281 135118107 /nfs/dbraw/zinc/11/81/07/135118107.db2.gz OWANEWCKMSRNGT-UHFFFAOYSA-N 1 0 225.242 2.244 20 30 BEEDRO C[NH+]=C(N[C@@H](C)c1ccccc1)NC1CCC1 ZINC000262331198 135118169 /nfs/dbraw/zinc/11/81/69/135118169.db2.gz BBFMRTCSSBOPHO-NSHDSACASA-N 1 0 231.343 2.465 20 30 BEEDRO C[NH+]=C(N[C@@H]1C[C@H]1C)N(C)Cc1cccc(F)c1 ZINC000262567081 135119804 /nfs/dbraw/zinc/11/98/04/135119804.db2.gz LXXPIJYHHBLBFL-ZWNOBZJWSA-N 1 0 249.333 2.241 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@@H]2CCCc3ccccc32)N1 ZINC000262642012 135120183 /nfs/dbraw/zinc/12/01/83/135120183.db2.gz IAJBRMPUCJYZSL-AAEUAGOBSA-N 1 0 243.354 2.044 20 30 BEEDRO Cc1c2ccccc2oc1CNC1=[NH+]CCN1C ZINC000262666249 135120751 /nfs/dbraw/zinc/12/07/51/135120751.db2.gz OWRXBVPPHPMGFM-UHFFFAOYSA-N 1 0 243.310 2.132 20 30 BEEDRO Cc1cc(C)c(CNC2=[NH+]CCN2C)c(C)c1 ZINC000262681901 135121030 /nfs/dbraw/zinc/12/10/30/135121030.db2.gz WNSOFMOLXNOCHX-UHFFFAOYSA-N 1 0 231.343 2.003 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000262859636 135122682 /nfs/dbraw/zinc/12/26/82/135122682.db2.gz YYIIUZVVLOTGIX-HOMQSWHASA-N 1 0 247.317 2.138 20 30 BEEDRO CC[C@@H](C)NC(NCc1cccs1)=[NH+]C ZINC000263242281 135125802 /nfs/dbraw/zinc/12/58/02/135125802.db2.gz LOXYKOPTVMNWGZ-SECBINFHSA-N 1 0 225.361 2.212 20 30 BEEDRO C[N@H+](CCCCC#N)[C@H](CO)c1ccccc1 ZINC000264032279 135130218 /nfs/dbraw/zinc/13/02/18/135130218.db2.gz PQLIYGZGVSONKV-CQSZACIVSA-N 1 0 232.327 2.346 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(F)c(F)c1 ZINC000264054986 135130576 /nfs/dbraw/zinc/13/05/76/135130576.db2.gz AGDPPWXTFITTJK-MRVPVSSYSA-N 1 0 241.285 2.168 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCC1CCCC1 ZINC000264034125 135130640 /nfs/dbraw/zinc/13/06/40/135130640.db2.gz FVAUMGOWAOKMRI-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO CCOCCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000264065028 135131051 /nfs/dbraw/zinc/13/10/51/135131051.db2.gz DWQKGBVBWMCGRN-UHFFFAOYSA-N 1 0 249.358 2.402 20 30 BEEDRO C[C@H](CCNC(=[NH2+])N(C)C)c1ccccc1 ZINC000264073000 135131670 /nfs/dbraw/zinc/13/16/70/135131670.db2.gz DRFSIGTZOZVAIF-LLVKDONJSA-N 1 0 219.332 2.057 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCc1ccccc1 ZINC000264075186 135131745 /nfs/dbraw/zinc/13/17/45/135131745.db2.gz HEETUBHNRLDWGC-UHFFFAOYSA-N 1 0 231.343 2.100 20 30 BEEDRO C[NH+]=C(NCCCC(C)C)NCc1ccco1 ZINC000264081306 135131920 /nfs/dbraw/zinc/13/19/20/135131920.db2.gz UKHJJOQBKYORLJ-UHFFFAOYSA-N 1 0 237.347 2.381 20 30 BEEDRO CCCCNC(=[NH2+])NCCOc1ccccc1C ZINC000264084587 135132277 /nfs/dbraw/zinc/13/22/77/135132277.db2.gz IOIRUDIUYWRJAZ-UHFFFAOYSA-N 1 0 249.358 2.078 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCc1ccccc1F ZINC000264085827 135132289 /nfs/dbraw/zinc/13/22/89/135132289.db2.gz JSCABGUAGIWTFC-SNVBAGLBSA-N 1 0 237.322 2.071 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)c1cccc(C)c1 ZINC000264091540 135132403 /nfs/dbraw/zinc/13/24/03/135132403.db2.gz LBNRSPIJKIKHIJ-UHFFFAOYSA-N 1 0 233.359 2.197 20 30 BEEDRO CCNC(=[NH2+])NCCCO[C@H](C)c1ccccc1 ZINC000264087076 135132436 /nfs/dbraw/zinc/13/24/36/135132436.db2.gz JVESNEJESYKESL-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1CCCCC1 ZINC000264104014 135133423 /nfs/dbraw/zinc/13/34/23/135133423.db2.gz NGRQAQUOQZHFLS-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO CCCNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000264126812 135134344 /nfs/dbraw/zinc/13/43/44/135134344.db2.gz SJORJFNVRQDFNS-UHFFFAOYSA-N 1 0 245.370 2.423 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccccc1F ZINC000264124213 135134388 /nfs/dbraw/zinc/13/43/88/135134388.db2.gz RWLPNPSCLBDNIU-VIFPVBQESA-N 1 0 223.295 2.029 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCCc1ccccc1 ZINC000264140103 135135020 /nfs/dbraw/zinc/13/50/20/135135020.db2.gz WFFFECJTWBSCMX-LBPRGKRZSA-N 1 0 233.359 2.322 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(F)c(C)c1 ZINC000264150888 135135936 /nfs/dbraw/zinc/13/59/36/135135936.db2.gz ZBXFJYYLMFCOKY-UHFFFAOYSA-N 1 0 235.306 2.115 20 30 BEEDRO [NH2+]=C(NCc1ccccc1O)NC1CCCCC1 ZINC000264143448 135135954 /nfs/dbraw/zinc/13/59/54/135135954.db2.gz XCSZZDFTXRFCFF-UHFFFAOYSA-N 1 0 247.342 2.129 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264573236 135138656 /nfs/dbraw/zinc/13/86/56/135138656.db2.gz SKYWMOPEYDJQFA-GFCCVEGCSA-N 1 0 230.311 2.431 20 30 BEEDRO Cc1cc(C[NH+]2CCC(CC#N)CC2)on1 ZINC000259919352 135145653 /nfs/dbraw/zinc/14/56/53/135145653.db2.gz GYZXYRLYLLAPGE-UHFFFAOYSA-N 1 0 219.288 2.109 20 30 BEEDRO Cc1noc(C)c1C[NH+]1CCC(CC#N)CC1 ZINC000260254174 135147937 /nfs/dbraw/zinc/14/79/37/135147937.db2.gz ZIIIFPAJMMYOHZ-UHFFFAOYSA-N 1 0 233.315 2.417 20 30 BEEDRO CCNC(=[NH2+])NCC[C@@H](C)c1ccc(OC)cc1 ZINC000267100523 135151800 /nfs/dbraw/zinc/15/18/00/135151800.db2.gz OGLXUTPERHOZPW-LLVKDONJSA-N 1 0 249.358 2.113 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000267160854 135152074 /nfs/dbraw/zinc/15/20/74/135152074.db2.gz QWMHFIUQYKWWJY-HDUPEWFZSA-N 1 0 245.370 2.413 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NC2CCCC2)cc1 ZINC000267469496 135154857 /nfs/dbraw/zinc/15/48/57/135154857.db2.gz XLYIXAJIWGZCIY-UHFFFAOYSA-N 1 0 245.370 2.384 20 30 BEEDRO CC(C)(CNC(=[NH2+])NC1CC1)c1cccc(F)c1 ZINC000267470510 135154875 /nfs/dbraw/zinc/15/48/75/135154875.db2.gz XRZWLXZIMDVTGR-UHFFFAOYSA-N 1 0 249.333 2.170 20 30 BEEDRO CCc1ccccc1CNC(=[NH2+])N[C@@H](C)CC ZINC000267472248 135154993 /nfs/dbraw/zinc/15/49/93/135154993.db2.gz YDHJDSHTNCIZRL-NSHDSACASA-N 1 0 233.359 2.452 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(C)CCCCC1 ZINC000268234955 135157941 /nfs/dbraw/zinc/15/79/41/135157941.db2.gz ZRYAXIWWBJNRSU-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)CC(C)(C)O1 ZINC000087595483 135160491 /nfs/dbraw/zinc/16/04/91/135160491.db2.gz BKJHLNLTXLUQMB-NSHDSACASA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccco1 ZINC000353394667 135167164 /nfs/dbraw/zinc/16/71/64/135167164.db2.gz MZULMZLZWMLBAC-QWRGUYRKSA-N 1 0 236.315 2.140 20 30 BEEDRO C[C@@H](Nc1cc(Cl)ccc1C#N)[C@H](C)[NH3+] ZINC000261537361 135173736 /nfs/dbraw/zinc/17/37/36/135173736.db2.gz VJXWQNOBZFVHOX-JGVFFNPUSA-N 1 0 223.707 2.359 20 30 BEEDRO N#Cc1ccc(NCC2([NH3+])CCCCC2)cn1 ZINC000261541534 135181582 /nfs/dbraw/zinc/18/15/82/135181582.db2.gz BGOUYEPKRAQCAJ-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO COCCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000344699538 135182882 /nfs/dbraw/zinc/18/28/82/135182882.db2.gz PPTYSRHVVDNADS-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000293840908 135183459 /nfs/dbraw/zinc/18/34/59/135183459.db2.gz QNYCACOCILJWRO-KBPBESRZSA-N 1 0 246.358 2.206 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000293840912 135183917 /nfs/dbraw/zinc/18/39/17/135183917.db2.gz QNYCACOCILJWRO-KGLIPLIRSA-N 1 0 246.358 2.206 20 30 BEEDRO CC(C)c1ccc(CNC2=[NH+]CCN2C)cc1 ZINC000261544900 135186251 /nfs/dbraw/zinc/18/62/51/135186251.db2.gz FEHWSIOLYFYZSY-UHFFFAOYSA-N 1 0 231.343 2.201 20 30 BEEDRO C[C@]1(C[NH3+])CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000261549286 135188772 /nfs/dbraw/zinc/18/87/72/135188772.db2.gz KICKXTOEAINHMN-CYBMUJFWSA-N 1 0 249.745 2.387 20 30 BEEDRO C[C@H](CCC#N)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000298463729 135198789 /nfs/dbraw/zinc/19/87/89/135198789.db2.gz IFNSSUVEDKYDKY-GFCCVEGCSA-N 1 0 244.342 2.201 20 30 BEEDRO N#CCCN(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000299712728 135206606 /nfs/dbraw/zinc/20/66/06/135206606.db2.gz QSOXCBUTXMJIOR-OAHLLOKOSA-N 1 0 244.338 2.173 20 30 BEEDRO Cc1cc(C#N)cc(NCC2([NH3+])CCCCC2)n1 ZINC000261571698 135213671 /nfs/dbraw/zinc/21/36/71/135213671.db2.gz LDWTXPJVTORIGY-UHFFFAOYSA-N 1 0 244.342 2.335 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000119867604 135218834 /nfs/dbraw/zinc/21/88/34/135218834.db2.gz PLKCWTNSSCCYAE-ZDUSSCGKSA-N 1 0 200.285 2.242 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000042351387 135221696 /nfs/dbraw/zinc/22/16/96/135221696.db2.gz HLXVLASUVSYZEV-STQMWFEESA-N 1 0 246.354 2.336 20 30 BEEDRO C=CC[N@@H+](C)CCOc1cccc(OC)c1 ZINC000121192801 135222391 /nfs/dbraw/zinc/22/23/91/135222391.db2.gz VQNZTSBTCSIBMG-UHFFFAOYSA-N 1 0 221.300 2.192 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)COc1ccc(C)cc1C ZINC000121367673 135223308 /nfs/dbraw/zinc/22/33/08/135223308.db2.gz CSVZVDDZRMQZLQ-CQSZACIVSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000121496682 135223715 /nfs/dbraw/zinc/22/37/15/135223715.db2.gz ZWGRLFSTVSGOGL-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO Cc1nc(NC[C@@]2(C)CCC[NH2+]C2)ccc1C#N ZINC000261583450 135224120 /nfs/dbraw/zinc/22/41/20/135224120.db2.gz RTOLYYSOLILOJL-AWEZNQCLSA-N 1 0 244.342 2.063 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000121485404 135224153 /nfs/dbraw/zinc/22/41/53/135224153.db2.gz INKHTPUBEMKXAV-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C=CC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1 ZINC000121384000 135224264 /nfs/dbraw/zinc/22/42/64/135224264.db2.gz SPLFNTRSAHPYCF-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=CC[N@@H+](CCC(=O)OCC)Cc1cccnc1 ZINC000122213554 135227263 /nfs/dbraw/zinc/22/72/63/135227263.db2.gz OJNUDJISVUFSDE-UHFFFAOYSA-N 1 0 248.326 2.023 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000340866569 135230579 /nfs/dbraw/zinc/23/05/79/135230579.db2.gz GNOACUMBVMISPK-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C/C=C/c1ccccc1 ZINC000341288251 135235688 /nfs/dbraw/zinc/23/56/88/135235688.db2.gz ZXJBZRCYHMHLGS-WCLQSUPFSA-N 1 0 231.339 2.474 20 30 BEEDRO CN(C)C(=[NH+]CC1CCC(F)(F)CC1)N(C)C ZINC000261647932 135242363 /nfs/dbraw/zinc/24/23/63/135242363.db2.gz FGZMXMXULCYSKK-UHFFFAOYSA-N 1 0 247.333 2.291 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341797467 135242547 /nfs/dbraw/zinc/24/25/47/135242547.db2.gz LFWXSGOWHWURCY-GXTWGEPZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341789111 135243059 /nfs/dbraw/zinc/24/30/59/135243059.db2.gz BOZGVEWOPYKBCT-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1CCCC(F)(F)C1)N(C)C ZINC000261656634 135243706 /nfs/dbraw/zinc/24/37/06/135243706.db2.gz FWNRTMDPTOPJSL-JTQLQIEISA-N 1 0 247.333 2.291 20 30 BEEDRO C(#CC[N@@H+]1CCC12CCC2)C[NH+]1CCC12CCC2 ZINC000341881175 135244121 /nfs/dbraw/zinc/24/41/21/135244121.db2.gz HGWHTKMQUBYMIR-UHFFFAOYSA-N 1 0 244.382 2.247 20 30 BEEDRO C=CCCC[NH+]1CCC(C#N)(COC)CC1 ZINC000341979615 135244948 /nfs/dbraw/zinc/24/49/48/135244948.db2.gz BRBBZVZGSFJSAV-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO CC(C)C[C@H]([NH3+])c1noc(C2(C#N)CCC2)n1 ZINC000342025521 135246289 /nfs/dbraw/zinc/24/62/89/135246289.db2.gz NGESBOCEFVYIPN-VIFPVBQESA-N 1 0 234.303 2.061 20 30 BEEDRO N#CCCCC[N@H+]1CCCCC[C@H]1CCO ZINC000342058665 135246903 /nfs/dbraw/zinc/24/69/03/135246903.db2.gz FKHJOTCZULUAMM-ZDUSSCGKSA-N 1 0 224.348 2.307 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](Cc1ccccc1)C(=O)OC ZINC000342086975 135249461 /nfs/dbraw/zinc/24/94/61/135249461.db2.gz IEAQFMYSPKQZCR-JSGCOSHPSA-N 1 0 247.338 2.182 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000342086973 135249591 /nfs/dbraw/zinc/24/95/91/135249591.db2.gz IEAQFMYSPKQZCR-GXTWGEPZSA-N 1 0 247.338 2.182 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NCC12CCC(CC1)C2 ZINC000261776003 135251798 /nfs/dbraw/zinc/25/17/98/135251798.db2.gz ORLMIDDVZJCUKT-UHFFFAOYSA-N 1 0 235.375 2.271 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261822611 135255368 /nfs/dbraw/zinc/25/53/68/135255368.db2.gz NQEIGIRUOOVECR-SECBINFHSA-N 1 0 233.306 2.125 20 30 BEEDRO C=CCOc1ccccc1CN1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000261988098 135269442 /nfs/dbraw/zinc/26/94/42/135269442.db2.gz JZPXYLJACUQCJU-OCCSQVGLSA-N 1 0 246.354 2.030 20 30 BEEDRO C[NH+]=C(NC1CC1)NC1CC(c2ccccc2)C1 ZINC000262121985 135280584 /nfs/dbraw/zinc/28/05/84/135280584.db2.gz MEXBZDMOTUVPEU-UHFFFAOYSA-N 1 0 243.354 2.260 20 30 BEEDRO [NH2+]=C(NCC1(C(F)(F)F)CC1)NC1CCCC1 ZINC000262164994 135282945 /nfs/dbraw/zinc/28/29/45/135282945.db2.gz UCYBRFRBTXPQAN-UHFFFAOYSA-N 1 0 249.280 2.176 20 30 BEEDRO C[C@H]1CC[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262238318 135287634 /nfs/dbraw/zinc/28/76/34/135287634.db2.gz AZQYUOLMWMKCBO-OIBJUYFYSA-N 1 0 239.269 2.490 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(C)CCCCC1 ZINC000262352270 135294345 /nfs/dbraw/zinc/29/43/45/135294345.db2.gz GAZNZOWPOBVWKX-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1CCC(F)(F)C1 ZINC000262385357 135298831 /nfs/dbraw/zinc/29/88/31/135298831.db2.gz HPYPIQPBDDFVSL-JTQLQIEISA-N 1 0 245.317 2.126 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@H](c2ccccc2)C1 ZINC000262454579 135300312 /nfs/dbraw/zinc/30/03/12/135300312.db2.gz KRDZVBQXDXDJMG-YCPJBFQXSA-N 1 0 231.343 2.023 20 30 BEEDRO CN1CC[NH+]=C1NCc1ccc2ccccc2c1 ZINC000262472865 135300841 /nfs/dbraw/zinc/30/08/41/135300841.db2.gz BMGLBTRCUKVRAB-UHFFFAOYSA-N 1 0 239.322 2.231 20 30 BEEDRO CN1CC[NH+]=C1NCc1ccc(C(C)(C)C)cc1 ZINC000262475873 135301919 /nfs/dbraw/zinc/30/19/19/135301919.db2.gz BYDZSANGHAWOCS-UHFFFAOYSA-N 1 0 245.370 2.375 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@H]2CC2(C)C)C1 ZINC000262530840 135303968 /nfs/dbraw/zinc/30/39/68/135303968.db2.gz NJTGVBZKDLZQNS-WDEREUQCSA-N 1 0 223.364 2.079 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2CC2(C)C)C1 ZINC000262530839 135304180 /nfs/dbraw/zinc/30/41/80/135304180.db2.gz NJTGVBZKDLZQNS-QWRGUYRKSA-N 1 0 223.364 2.079 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCCS1)N1CCCCCC1 ZINC000262545807 135305936 /nfs/dbraw/zinc/30/59/36/135305936.db2.gz RYQKITRVCPBPGS-LLVKDONJSA-N 1 0 241.404 2.073 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262611334 135308010 /nfs/dbraw/zinc/30/80/10/135308010.db2.gz BBXWCIZXMYHQOX-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc3ccccc3c2)N1 ZINC000262630235 135309302 /nfs/dbraw/zinc/30/93/02/135309302.db2.gz FNAUMSBGYXNQTD-NSHDSACASA-N 1 0 239.322 2.277 20 30 BEEDRO Cc1ccccc1[C@H]1C[C@H](NC2=[NH+]CCN2C)C1 ZINC000262637401 135310110 /nfs/dbraw/zinc/31/01/10/135310110.db2.gz HBWMEXZLHMFMIQ-JOCQHMNTSA-N 1 0 243.354 2.132 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC2(C)CCC(C)CC2)N1 ZINC000262682251 135312700 /nfs/dbraw/zinc/31/27/00/135312700.db2.gz WTCOPMVNTSILAU-QWKFWESOSA-N 1 0 223.364 2.140 20 30 BEEDRO Cc1oc2ccccc2c1CNC1=[NH+]CCN1C ZINC000262685710 135313712 /nfs/dbraw/zinc/31/37/12/135313712.db2.gz YISBUMYHERBQQY-UHFFFAOYSA-N 1 0 243.310 2.132 20 30 BEEDRO CC[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342724262 135314563 /nfs/dbraw/zinc/31/45/63/135314563.db2.gz GHXGANNDJSGDOC-SNVBAGLBSA-N 1 0 228.299 2.094 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCCCC(F)(F)C1)NC1CC1 ZINC000262709860 135314889 /nfs/dbraw/zinc/31/48/89/135314889.db2.gz OZFVJQJVWGMJEF-SECBINFHSA-N 1 0 245.317 2.269 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000262772930 135317542 /nfs/dbraw/zinc/31/75/42/135317542.db2.gz VCWARTAXMDYCQJ-VXGBXAGGSA-N 1 0 224.348 2.071 20 30 BEEDRO C[NH+]=C(NC1CCC1)N(C)Cc1ccc(F)cc1 ZINC000262814709 135320276 /nfs/dbraw/zinc/32/02/76/135320276.db2.gz WJUQFSVROWAMNA-UHFFFAOYSA-N 1 0 249.333 2.385 20 30 BEEDRO Cc1ccnc(CNC(=[NH2+])N2CCCCCC2)c1 ZINC000263029894 135327647 /nfs/dbraw/zinc/32/76/47/135327647.db2.gz BBSOSOJPJFABGZ-UHFFFAOYSA-N 1 0 246.358 2.081 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1CCCC1(F)F ZINC000263057435 135329917 /nfs/dbraw/zinc/32/99/17/135329917.db2.gz FEFYLQVZZWIEBZ-SNVBAGLBSA-N 1 0 245.317 2.126 20 30 BEEDRO CN1CC[NH+]=C1NCC1(C)CCC(C)(C)CC1 ZINC000263067669 135330464 /nfs/dbraw/zinc/33/04/64/135330464.db2.gz GJNUOVNRRMTYSA-UHFFFAOYSA-N 1 0 237.391 2.484 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@H]1C1CCC1 ZINC000263085920 135331884 /nfs/dbraw/zinc/33/18/84/135331884.db2.gz SQAOVQRPKCVSRR-DLOVCJGASA-N 1 0 223.364 2.125 20 30 BEEDRO C[C@H]1C[C@@H](C[NH+]2CCC(C)(C#N)CC2)CCO1 ZINC000334297694 135334639 /nfs/dbraw/zinc/33/46/39/135334639.db2.gz AZDUSUFUTBDRFL-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1CCCCC1(F)F)N(C)C ZINC000263149174 135335379 /nfs/dbraw/zinc/33/53/79/135335379.db2.gz PEIQBVAAXBHDRI-SNVBAGLBSA-N 1 0 247.333 2.291 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000263210608 135340128 /nfs/dbraw/zinc/34/01/28/135340128.db2.gz YZPUBXDLAPHJBH-VXGBXAGGSA-N 1 0 223.364 2.125 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000263213070 135340155 /nfs/dbraw/zinc/34/01/55/135340155.db2.gz ZKYTXBKLTCFHFI-NEPJUHHUSA-N 1 0 223.364 2.094 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2CC23CCCC3)C1 ZINC000263271145 135343642 /nfs/dbraw/zinc/34/36/42/135343642.db2.gz PBKNCDSTSFDTMZ-VXGBXAGGSA-N 1 0 235.375 2.366 20 30 BEEDRO [NH2+]=C(NCC1CCC1)N[C@@H]1CC12CCCC2 ZINC000263282807 135344486 /nfs/dbraw/zinc/34/44/86/135344486.db2.gz SNJFINSRDBUVHQ-LLVKDONJSA-N 1 0 221.348 2.024 20 30 BEEDRO C[N@H+](CC1(C#N)CC1)C1Cc2ccccc2C1 ZINC000334334060 135362212 /nfs/dbraw/zinc/36/22/12/135362212.db2.gz WINVKNMUQVVULB-UHFFFAOYSA-N 1 0 226.323 2.389 20 30 BEEDRO Cn1cccc1C[NH2+]CC(C)(C)CCC#N ZINC000266513328 135363310 /nfs/dbraw/zinc/36/33/10/135363310.db2.gz CRKWMXKTQQEYND-UHFFFAOYSA-N 1 0 219.332 2.445 20 30 BEEDRO C#CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268700910 135363742 /nfs/dbraw/zinc/36/37/42/135363742.db2.gz BRFUXSUZMVTZNV-GDBMZVCRSA-N 1 0 242.366 2.120 20 30 BEEDRO Cc1cc(C)n(CC[NH+]2CCC(C)(C#N)CC2)n1 ZINC000272600601 135366059 /nfs/dbraw/zinc/36/60/59/135366059.db2.gz QUEHQOKBLLNDLX-UHFFFAOYSA-N 1 0 246.358 2.126 20 30 BEEDRO C=CCCC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000285256929 135372148 /nfs/dbraw/zinc/37/21/48/135372148.db2.gz CTOFAJFUULFQIQ-LLVKDONJSA-N 1 0 222.336 2.068 20 30 BEEDRO C=CCCCCCCNC1=[NH+]CCN1C ZINC000286705976 135372869 /nfs/dbraw/zinc/37/28/69/135372869.db2.gz DLAIAFLYGUEYQE-UHFFFAOYSA-N 1 0 209.337 2.014 20 30 BEEDRO C#CCC[NH2+]C(C)(C)c1c(C)noc1C ZINC000285870396 135372913 /nfs/dbraw/zinc/37/29/13/135372913.db2.gz YYORKBOMHOQVNI-UHFFFAOYSA-N 1 0 206.289 2.139 20 30 BEEDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(C#N)o2)C[C@@H]1C ZINC000334366267 135374195 /nfs/dbraw/zinc/37/41/95/135374195.db2.gz IZZVHWVDXMYJEY-NWDGAFQWSA-N 1 0 247.342 2.066 20 30 BEEDRO Cc1ccccc1C[N@H+](C)CCOCCC#N ZINC000293466601 135376412 /nfs/dbraw/zinc/37/64/12/135376412.db2.gz LLKWWCAGWORCAZ-UHFFFAOYSA-N 1 0 232.327 2.357 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cncs1)C(C)(C)C ZINC000290283784 135376720 /nfs/dbraw/zinc/37/67/20/135376720.db2.gz ZLJCOYLXAKTRRP-JTQLQIEISA-N 1 0 208.330 2.281 20 30 BEEDRO N#Cc1csc(CN2C[C@@H]3CCC[C@@H]3C2)n1 ZINC000334398542 135387735 /nfs/dbraw/zinc/38/77/35/135387735.db2.gz XGNKGPBIOBIQNB-AOOOYVTPSA-N 1 0 233.340 2.247 20 30 BEEDRO N#Cc1csc(CN2C[C@@H]3CCC[C@H]3C2)n1 ZINC000334398547 135388228 /nfs/dbraw/zinc/38/82/28/135388228.db2.gz XGNKGPBIOBIQNB-UWVGGRQHSA-N 1 0 233.340 2.247 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000073615056 135389381 /nfs/dbraw/zinc/38/93/81/135389381.db2.gz QDUCTHCHSVWHQR-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000081708841 135429626 /nfs/dbraw/zinc/42/96/26/135429626.db2.gz JKUDUDJTAPUOSC-GFCCVEGCSA-N 1 0 248.326 2.104 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000164893669 135448276 /nfs/dbraw/zinc/44/82/76/135448276.db2.gz ATIMWADBGSAVNN-KGLIPLIRSA-N 1 0 241.375 2.372 20 30 BEEDRO C[NH2+]C(C)(C)CNC(=O)Nc1ccc(C)cc1 ZINC000330400385 135473408 /nfs/dbraw/zinc/47/34/08/135473408.db2.gz SGPIJLNLCPIBOZ-UHFFFAOYSA-N 1 0 235.331 2.319 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000280597241 135498215 /nfs/dbraw/zinc/49/82/15/135498215.db2.gz IYLUQTGBZPRGEU-KGLIPLIRSA-N 1 0 232.327 2.152 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccnn1C ZINC000281573535 135507690 /nfs/dbraw/zinc/50/76/90/135507690.db2.gz KPWURAABQDTVOC-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO N#Cc1ccc(Cl)cc1NC[C@@H]1CC[NH2+]C1 ZINC000087655307 135510095 /nfs/dbraw/zinc/51/00/95/135510095.db2.gz MFLVFGLAGLWKGC-SECBINFHSA-N 1 0 235.718 2.233 20 30 BEEDRO CC[NH+](CC)CCSc1cccc(C#N)n1 ZINC000088734154 135525373 /nfs/dbraw/zinc/52/53/73/135525373.db2.gz XIGPWVGCEBYFKS-UHFFFAOYSA-N 1 0 235.356 2.387 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089108375 135529411 /nfs/dbraw/zinc/52/94/11/135529411.db2.gz RTNVZNWJYMLCDJ-GXTWGEPZSA-N 1 0 229.327 2.488 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000192058332 135558334 /nfs/dbraw/zinc/55/83/34/135558334.db2.gz NEPSLZGAJYYXCT-VXGBXAGGSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccco1 ZINC000285890314 135567617 /nfs/dbraw/zinc/56/76/17/135567617.db2.gz CFSJYHWVXIZHRV-RYUDHWBXSA-N 1 0 248.326 2.107 20 30 BEEDRO OCC[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000286066078 135573084 /nfs/dbraw/zinc/57/30/84/135573084.db2.gz JHFFOXDUZKHHSC-JKSUJKDBSA-N 1 0 243.350 2.179 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2occc2c1 ZINC000286176466 135574761 /nfs/dbraw/zinc/57/47/61/135574761.db2.gz WZZRJZXAACVOLG-CYBMUJFWSA-N 1 0 231.295 2.459 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000092392678 135575309 /nfs/dbraw/zinc/57/53/09/135575309.db2.gz IDKRPRXVGFAKTG-SMDDNHRTSA-N 1 0 232.327 2.226 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(CC)nn(C)c1CC)C(C)C ZINC000289571738 135620282 /nfs/dbraw/zinc/62/02/82/135620282.db2.gz SNPRYRHZRGONQQ-ZDUSSCGKSA-N 1 0 247.386 2.292 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000184265106 135623634 /nfs/dbraw/zinc/62/36/34/135623634.db2.gz HKKBFBXZDUBOMK-CYBMUJFWSA-N 1 0 235.327 2.036 20 30 BEEDRO C=CCCC[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292121762 135654492 /nfs/dbraw/zinc/65/44/92/135654492.db2.gz IAZSQLICNCENSQ-OCCSQVGLSA-N 1 0 246.354 2.200 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCCC[NH+](C)C ZINC000343840995 135702667 /nfs/dbraw/zinc/70/26/67/135702667.db2.gz ONHFKPQOCCFOIQ-CYBMUJFWSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCC(C)(C)C#N ZINC000344146564 135747249 /nfs/dbraw/zinc/74/72/49/135747249.db2.gz PYAYGQVKPIGAKY-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1nccn1C ZINC000344291102 135757899 /nfs/dbraw/zinc/75/78/99/135757899.db2.gz ICKIFDNVSIUQSS-YNEHKIRRSA-N 1 0 249.358 2.194 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000344304923 135759811 /nfs/dbraw/zinc/75/98/11/135759811.db2.gz OKPLYGVDGXOROL-GXTWGEPZSA-N 1 0 244.338 2.393 20 30 BEEDRO C[C@H]1[C@H]([NH2+]Cc2ccc(C#N)s2)CCCN1C ZINC000344328106 135762013 /nfs/dbraw/zinc/76/20/13/135762013.db2.gz QFOKMTVBMAXCJB-GXFFZTMASA-N 1 0 249.383 2.192 20 30 BEEDRO C=CCCC[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000344384827 135770526 /nfs/dbraw/zinc/77/05/26/135770526.db2.gz IVVWAKCOZODXNL-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCOc1cccc(CN2CCC([NH3+])CC2)c1 ZINC000346652287 135945202 /nfs/dbraw/zinc/94/52/02/135945202.db2.gz QIQMPLNLTXQQML-UHFFFAOYSA-N 1 0 246.354 2.175 20 30 BEEDRO CCN1C[C@@H](C)[N@@H+](CCCCC#N)[C@@H](C)C1 ZINC000347697924 136006687 /nfs/dbraw/zinc/00/66/87/136006687.db2.gz ZNPOZCHILVPBSI-BETUJISGSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000347971864 136022724 /nfs/dbraw/zinc/02/27/24/136022724.db2.gz ZNCSBJLIFDQLMC-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000348057759 136023918 /nfs/dbraw/zinc/02/39/18/136023918.db2.gz PJNOBQDQPHVUPV-CQSZACIVSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCc1ccncc1 ZINC000348060807 136024185 /nfs/dbraw/zinc/02/41/85/136024185.db2.gz SAQWCHYEULXTLP-UHFFFAOYSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCOCCC[N@H+]1CCOC[C@]1(C)CC ZINC000348063116 136024907 /nfs/dbraw/zinc/02/49/07/136024907.db2.gz VVCNQDNQBCKQBB-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@@H+]1CCS[C@H](C)C1 ZINC000348036577 136028404 /nfs/dbraw/zinc/02/84/04/136028404.db2.gz PSCJLHWNSFWOOG-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000348047861 136030270 /nfs/dbraw/zinc/03/02/70/136030270.db2.gz LQWHLYDPOHUJJG-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000348052307 136030953 /nfs/dbraw/zinc/03/09/53/136030953.db2.gz NVQMRMPFSYPBFR-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000348050894 136031071 /nfs/dbraw/zinc/03/10/71/136031071.db2.gz PVBRIGOHDJCMSK-UHFFFAOYSA-N 1 0 249.358 2.182 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000348051814 136031225 /nfs/dbraw/zinc/03/12/25/136031225.db2.gz RDNPBIHJYFGMEW-CQSZACIVSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000348053769 136031640 /nfs/dbraw/zinc/03/16/40/136031640.db2.gz WCCLHOXHVVBVGD-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCOCCC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000348054931 136031958 /nfs/dbraw/zinc/03/19/58/136031958.db2.gz ZFRVRSXOQCLXHP-AWEZNQCLSA-N 1 0 241.375 2.326 20 30 BEEDRO Cc1noc([C@H](C)[NH2+]CCCC(C)(C)C#N)n1 ZINC000348095608 136035690 /nfs/dbraw/zinc/03/56/90/136035690.db2.gz JMVKGQWNVPYYDF-VIFPVBQESA-N 1 0 236.319 2.359 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000348159709 136041234 /nfs/dbraw/zinc/04/12/34/136041234.db2.gz NDQMVPRRZHQLIN-CYBMUJFWSA-N 1 0 235.331 2.139 20 30 BEEDRO CCOC[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)C ZINC000348445186 136081667 /nfs/dbraw/zinc/08/16/67/136081667.db2.gz RDWGWSNLQCVPKB-STQMWFEESA-N 1 0 237.347 2.081 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1C#N ZINC000335390008 136090625 /nfs/dbraw/zinc/09/06/25/136090625.db2.gz YPBUIOCMJXIWPZ-VXGBXAGGSA-N 1 0 235.306 2.267 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172499538 974851111 /nfs/dbraw/zinc/85/11/11/974851111.db2.gz DSDDUJDBXMQMHA-NWDGAFQWSA-N 1 0 205.305 2.304 20 30 BEEDRO C#CC[N@@H+](CCC(C)(C)C)C1CSC1 ZINC001647549524 1172759193 /nfs/dbraw/zinc/75/91/93/1172759193.db2.gz RDXOUOVEWHMHJS-UHFFFAOYSA-N 1 0 211.374 2.473 20 30 BEEDRO COc1cccc(C#N)c1OC1CC[NH+](C)CC1 ZINC000062621792 1172769489 /nfs/dbraw/zinc/76/94/89/1172769489.db2.gz QCWIGLPFOOXDLB-UHFFFAOYSA-N 1 0 246.310 2.040 20 30 BEEDRO CC(C)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189580503 397798255 /nfs/dbraw/zinc/79/82/55/397798255.db2.gz QLQXFKBYOOKORB-JTQLQIEISA-N 1 0 205.305 2.031 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCCc1ccsc1 ZINC000170903861 397825472 /nfs/dbraw/zinc/82/54/72/397825472.db2.gz VBKFVEQUWGCLJE-UHFFFAOYSA-N 1 0 239.388 2.241 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1cc(C)nc(C#N)c1 ZINC000341549551 397960355 /nfs/dbraw/zinc/96/03/55/397960355.db2.gz PRBJITGLMGEDLH-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@H](C)[C@@H](C)O1 ZINC000446073899 397991860 /nfs/dbraw/zinc/99/18/60/397991860.db2.gz PVPWAXPMEVTEFN-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO CC[C@](C)(C#N)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414625902 397997036 /nfs/dbraw/zinc/99/70/36/397997036.db2.gz XHBMPCHKJUAPTM-JOYOIKCWSA-N 1 0 236.319 2.307 20 30 BEEDRO CC[N@@H+]1CC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000093492390 398003478 /nfs/dbraw/zinc/00/34/78/398003478.db2.gz SNWYVRNEHVDKRH-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC000650245666 398006077 /nfs/dbraw/zinc/00/60/77/398006077.db2.gz ATLCJFHVJDTHHI-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](CC)Cc1c(C)cc(OC)nc1C ZINC000490936657 398029412 /nfs/dbraw/zinc/02/94/12/398029412.db2.gz RHLNMPURKMVPBT-UHFFFAOYSA-N 1 0 232.327 2.162 20 30 BEEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598595600 398031817 /nfs/dbraw/zinc/03/18/17/398031817.db2.gz PFFFYQSMUQBGSS-XQQFMLRXSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598594432 398032055 /nfs/dbraw/zinc/03/20/55/398032055.db2.gz HMGQJKHRMUZLON-AGIUHOORSA-N 1 0 238.375 2.408 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649701257 398049861 /nfs/dbraw/zinc/04/98/61/398049861.db2.gz YVONUWFUDJNNBJ-KGLIPLIRSA-N 1 0 241.375 2.203 20 30 BEEDRO CCO[C@@H]1CC[N@H+](CCCCC#N)C[C@H]1C ZINC000451546470 397974914 /nfs/dbraw/zinc/97/49/14/397974914.db2.gz SCSZEPRAFAWPDI-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452137187 397986167 /nfs/dbraw/zinc/98/61/67/397986167.db2.gz ZPFNKONOPOQHKF-CYBMUJFWSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc2n(n1)CCCC2 ZINC000649592058 397986306 /nfs/dbraw/zinc/98/63/06/397986306.db2.gz SRHIGBVSHFPYDZ-UHFFFAOYSA-N 1 0 219.332 2.227 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(CCC)c1)C(C)(C)C ZINC000491675643 398059455 /nfs/dbraw/zinc/05/94/55/398059455.db2.gz UVSNZCGYCDSBFI-ZDUSSCGKSA-N 1 0 233.359 2.431 20 30 BEEDRO C=CCOCC[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649718370 398060314 /nfs/dbraw/zinc/06/03/14/398060314.db2.gz YOKQKRNLPSMKPV-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2cscn2)C1 ZINC000185860524 398060932 /nfs/dbraw/zinc/06/09/32/398060932.db2.gz DLSGQLRETQRNKP-GHMZBOCLSA-N 1 0 235.356 2.358 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2cscn2)C1 ZINC000185860543 398061127 /nfs/dbraw/zinc/06/11/27/398061127.db2.gz DLSGQLRETQRNKP-MNOVXSKESA-N 1 0 235.356 2.358 20 30 BEEDRO CC[C@@H](CC#N)NCc1ccc(C(=O)OC)cc1 ZINC000054182486 398064634 /nfs/dbraw/zinc/06/46/34/398064634.db2.gz YXDHIGYVBIONHZ-ZDUSSCGKSA-N 1 0 246.310 2.255 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000186700767 398071121 /nfs/dbraw/zinc/07/11/21/398071121.db2.gz UHXFBPSPZFVFQR-FZMZJTMJSA-N 1 0 237.318 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000186700645 398071540 /nfs/dbraw/zinc/07/15/40/398071540.db2.gz IEVKBVYCXFGRES-GXTWGEPZSA-N 1 0 248.370 2.340 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)C1CCCCC1 ZINC000186717000 398071802 /nfs/dbraw/zinc/07/18/02/398071802.db2.gz UHPSVYFSLVGFMQ-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1ccccc1[C@H]([C@@H](C)NCCC#N)[NH+](C)C ZINC000521427407 398078236 /nfs/dbraw/zinc/07/82/36/398078236.db2.gz AHWCIVMMNPUQEK-HIFRSBDPSA-N 1 0 245.370 2.490 20 30 BEEDRO Cc1cc(CN[C@@H](C)CC[NH+](C)C)ccc1C#N ZINC000443976478 398086089 /nfs/dbraw/zinc/08/60/89/398086089.db2.gz AJNJGAXPPYTQSG-ZDUSSCGKSA-N 1 0 245.370 2.297 20 30 BEEDRO Cc1cc(C[N@H+](CCO)CC2CC2)ccc1C#N ZINC000352468363 398086251 /nfs/dbraw/zinc/08/62/51/398086251.db2.gz RRJSSTLCXWFEFS-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459728100 398056078 /nfs/dbraw/zinc/05/60/78/398056078.db2.gz HTWQPOMTUWYOGH-ZJUUUORDSA-N 1 0 212.362 2.267 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000650313305 398101566 /nfs/dbraw/zinc/10/15/66/398101566.db2.gz IXCVJBKPXINOQY-CBBWQLFWSA-N 1 0 233.355 2.004 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404162142 398102642 /nfs/dbraw/zinc/10/26/42/398102642.db2.gz ZWHPMMWNCMDPIN-UHFFFAOYSA-N 1 0 236.290 2.214 20 30 BEEDRO C=C(CC)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000649799046 398107596 /nfs/dbraw/zinc/10/75/96/398107596.db2.gz NMBZMEVITCCBPP-GFCCVEGCSA-N 1 0 211.349 2.293 20 30 BEEDRO C#CC[N@@H+](C)C[C@H]1CCC2(CCCCC2)O1 ZINC000192239681 398108038 /nfs/dbraw/zinc/10/80/38/398108038.db2.gz IWZURZUKRRBKOZ-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CC1(SC)CCC1 ZINC000336740627 398124496 /nfs/dbraw/zinc/12/44/96/398124496.db2.gz UMZZVYZVHZQZMR-NSHDSACASA-N 1 0 229.389 2.046 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)cc2Cl)C[C@H](C)[NH2+]1 ZINC000062790637 1172781475 /nfs/dbraw/zinc/78/14/75/1172781475.db2.gz GERLMFWHQBYLML-AOOOYVTPSA-N 1 0 249.745 2.398 20 30 BEEDRO CCCCCCC[N@H+](C)CCn1cnnc1 ZINC001648213611 1172812425 /nfs/dbraw/zinc/81/24/25/1172812425.db2.gz CKNJOGZPIUREOQ-UHFFFAOYSA-N 1 0 224.352 2.180 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccncc1C#N)C1(C)CC1 ZINC001648526030 1172842361 /nfs/dbraw/zinc/84/23/61/1172842361.db2.gz KFDLOFGYMJXVAU-SNVBAGLBSA-N 1 0 215.300 2.231 20 30 BEEDRO CC#CC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001648621814 1172859421 /nfs/dbraw/zinc/85/94/21/1172859421.db2.gz YXHQJDKNBHMUEK-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO CCc1ccc2c(c1)C[N@@H+](CC#CCOC)CC2 ZINC001648675660 1172862366 /nfs/dbraw/zinc/86/23/66/1172862366.db2.gz IWXQLSJBTWVDEG-UHFFFAOYSA-N 1 0 243.350 2.257 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C(C)(C)CC=C ZINC001649440419 1172878092 /nfs/dbraw/zinc/87/80/92/1172878092.db2.gz AOXGNNHJVGZRSZ-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CC[NH2+]CCCF ZINC001649450812 1172876274 /nfs/dbraw/zinc/87/62/74/1172876274.db2.gz AZNMENYNMPQDRP-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172502797 974856591 /nfs/dbraw/zinc/85/65/91/974856591.db2.gz XBCZTYVRMOCVPS-DGCLKSJQSA-N 1 0 222.332 2.370 20 30 BEEDRO Cc1cc(NCC[C@H](C)[NH+](C)C)ncc1C#N ZINC001651230301 1172932208 /nfs/dbraw/zinc/93/22/08/1172932208.db2.gz ZSANMOPCFUUWHR-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CNc1cc(F)ccc1C#N ZINC001651253003 1172936206 /nfs/dbraw/zinc/93/62/06/1172936206.db2.gz SZPRCNFIZIVDJR-GFCCVEGCSA-N 1 0 233.290 2.203 20 30 BEEDRO CCC[C@H]1CCCC[N@@H+]1CC#CCOC ZINC000680434272 487592544 /nfs/dbraw/zinc/59/25/44/487592544.db2.gz NGLVWVKYNFRNAB-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO CCC[C@@H]1CCCC[N@@H+]1CC#CCOC ZINC000680434271 487593092 /nfs/dbraw/zinc/59/30/92/487593092.db2.gz NGLVWVKYNFRNAB-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001651554208 1172957893 /nfs/dbraw/zinc/95/78/93/1172957893.db2.gz IXAMIKIYRFPWGW-HNNXBMFYSA-N 1 0 234.387 2.254 20 30 BEEDRO C#CCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000270524956 166147963 /nfs/dbraw/zinc/14/79/63/166147963.db2.gz NDIAAAKIRQZMQK-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C#CCCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000271061427 166127590 /nfs/dbraw/zinc/12/75/90/166127590.db2.gz SOFKECKKMJZUNC-INIZCTEOSA-N 1 0 243.350 2.382 20 30 BEEDRO C#CCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000271609664 166127735 /nfs/dbraw/zinc/12/77/35/166127735.db2.gz WEFBKKMIRJJWBL-UHFFFAOYSA-N 1 0 214.312 2.459 20 30 BEEDRO C=CC[N@@H+](Cc1cn(C)nc1CC)C1CC1 ZINC000680481357 487604167 /nfs/dbraw/zinc/60/41/67/487604167.db2.gz HSCNYHOMYPMOCG-UHFFFAOYSA-N 1 0 219.332 2.133 20 30 BEEDRO C#CCCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000271085757 166128629 /nfs/dbraw/zinc/12/86/29/166128629.db2.gz ZJQJYEMQENKQCF-UHFFFAOYSA-N 1 0 244.338 2.279 20 30 BEEDRO C#CCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000271407317 166128369 /nfs/dbraw/zinc/12/83/69/166128369.db2.gz VJURRORMBPWTSJ-UHFFFAOYSA-N 1 0 214.312 2.459 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000271438776 166129363 /nfs/dbraw/zinc/12/93/63/166129363.db2.gz UZNVDPGSBIGKCK-LBPRGKRZSA-N 1 0 202.301 2.488 20 30 BEEDRO C=CCCCCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864468771 589372573 /nfs/dbraw/zinc/37/25/73/589372573.db2.gz IWXMBHQPDSACRP-QWRGUYRKSA-N 1 0 209.337 2.255 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(F)cc1F ZINC000268757402 166134285 /nfs/dbraw/zinc/13/42/85/166134285.db2.gz YSVLETMOFQXWCS-UHFFFAOYSA-N 1 0 209.239 2.420 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](C)c1cccc(O)c1 ZINC000268743772 166135296 /nfs/dbraw/zinc/13/52/96/166135296.db2.gz UPGBEDLCABRFFY-LLVKDONJSA-N 1 0 203.285 2.408 20 30 BEEDRO C#CCC[NH+]1CCN([C@H](C)c2ccsc2)CC1 ZINC000274125568 166137799 /nfs/dbraw/zinc/13/77/99/166137799.db2.gz CYOVCUIUXASTCI-CYBMUJFWSA-N 1 0 248.395 2.450 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000653129417 409842845 /nfs/dbraw/zinc/84/28/45/409842845.db2.gz SJDMJEIETXDOIM-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609798962 487611108 /nfs/dbraw/zinc/61/11/08/487611108.db2.gz BPKSDUOVUHLXOS-AWEZNQCLSA-N 1 0 235.375 2.118 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000653136819 409855744 /nfs/dbraw/zinc/85/57/44/409855744.db2.gz JSNKQMOGLZYWOG-OLZOCXBDSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CC[C@]1(C(=O)NC[C@H](C)C(C)C)CCC[NH2+]1 ZINC000662618112 409790198 /nfs/dbraw/zinc/79/01/98/409790198.db2.gz UBTXABNOMNNKIH-GXTWGEPZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccc(C)cn2)CCC[NH2+]1 ZINC000662658902 409819478 /nfs/dbraw/zinc/81/94/78/409819478.db2.gz LWNBBHOICISYAZ-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000662953194 409988817 /nfs/dbraw/zinc/98/88/17/409988817.db2.gz LHUITNYXFFWWDB-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662843975 409948849 /nfs/dbraw/zinc/94/88/49/409948849.db2.gz VKLSFHIFSNKZCO-VXGBXAGGSA-N 1 0 236.359 2.119 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](CCC)C[C@@H]1CCCCO1 ZINC000663259372 410089854 /nfs/dbraw/zinc/08/98/54/410089854.db2.gz BMJRCIABVUUHDW-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000309152437 410266144 /nfs/dbraw/zinc/26/61/44/410266144.db2.gz WPWVMKKYMDSLCO-YNEHKIRRSA-N 1 0 209.333 2.336 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000680583111 487615254 /nfs/dbraw/zinc/61/52/54/487615254.db2.gz BSJYNFFDVFWGGK-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[N@H+](Cc1cncc(C)c1)[C@H](C)COC ZINC000661239308 410397439 /nfs/dbraw/zinc/39/74/39/410397439.db2.gz FDEXNKOSSKPVSM-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](C[C@@H](OC)C1CCC1)[C@@H](C)COC ZINC000661240985 410398586 /nfs/dbraw/zinc/39/85/86/410398586.db2.gz UUPLEYSIVYPGHP-GXTWGEPZSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](CCC1(OC)CCC1)[C@@H](C)COC ZINC000661239729 410399719 /nfs/dbraw/zinc/39/97/19/410399719.db2.gz ISTGITIOTXBJLY-ZDUSSCGKSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[N@H+](Cc1ccc(CO)cc1)[C@H](C)COC ZINC000661239508 410401002 /nfs/dbraw/zinc/40/10/02/410401002.db2.gz HGZUOJGTWOOMPW-CYBMUJFWSA-N 1 0 249.354 2.202 20 30 BEEDRO C#CC[NH2+][C@@H](Cc1ccccc1OC)C(C)C ZINC000157213967 166190378 /nfs/dbraw/zinc/19/03/78/166190378.db2.gz DFZQMGIQPPBTDV-AWEZNQCLSA-N 1 0 231.339 2.485 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000157190925 166191352 /nfs/dbraw/zinc/19/13/52/166191352.db2.gz AAROBGSIAZAMES-LBPRGKRZSA-N 1 0 242.322 2.097 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cn(C(C)(C)C)nc1C ZINC000166409611 166192565 /nfs/dbraw/zinc/19/25/65/166192565.db2.gz BBIBNYHWSNNECQ-SNVBAGLBSA-N 1 0 219.332 2.230 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H](CC)COC ZINC000079737488 166199298 /nfs/dbraw/zinc/19/92/98/166199298.db2.gz ARQUWPAPOPHYCW-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H](C)[C@@H](C)OC ZINC000271474043 166199337 /nfs/dbraw/zinc/19/93/37/166199337.db2.gz MFKSZGODXVUCML-CHWSQXEVSA-N 1 0 247.338 2.212 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC(=C)C ZINC000153389498 166200118 /nfs/dbraw/zinc/20/01/18/166200118.db2.gz ZGGFOBXABPKUEU-UHFFFAOYSA-N 1 0 215.296 2.364 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)CCOCC ZINC000171628063 166200611 /nfs/dbraw/zinc/20/06/11/166200611.db2.gz UGOFISNBUPGAHB-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccccc1 ZINC000152932630 166203048 /nfs/dbraw/zinc/20/30/48/166203048.db2.gz BXDHUZIHJVDNPX-UHFFFAOYSA-N 1 0 205.326 2.143 20 30 BEEDRO C#CC[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1 ZINC000270175812 166204909 /nfs/dbraw/zinc/20/49/09/166204909.db2.gz IIVALWGKAPIPNL-OAHLLOKOSA-N 1 0 239.322 2.274 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)C[Si](C)(C)C)n1 ZINC000279675622 166207364 /nfs/dbraw/zinc/20/73/64/166207364.db2.gz FWHQOJVPDWAHRN-UHFFFAOYSA-N 1 0 249.434 2.216 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)CCCC)n1 ZINC000279736820 166207715 /nfs/dbraw/zinc/20/77/15/166207715.db2.gz OFHXODNOAJHBAG-UHFFFAOYSA-N 1 0 219.332 2.138 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC)cc1 ZINC000166368302 166211895 /nfs/dbraw/zinc/21/18/95/166211895.db2.gz CKILQVRHNOXXJO-LLVKDONJSA-N 1 0 203.285 2.197 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000166533081 166211932 /nfs/dbraw/zinc/21/19/32/166211932.db2.gz XARQTKONTYMECI-MRVPVSSYSA-N 1 0 239.702 2.166 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(Cl)c1 ZINC000166451730 166217380 /nfs/dbraw/zinc/21/73/80/166217380.db2.gz ZASBWIZHTSNEAM-VIFPVBQESA-N 1 0 223.703 2.460 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000336888718 166233125 /nfs/dbraw/zinc/23/31/25/166233125.db2.gz FNTUBSXOEJQJDM-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000156463527 166232649 /nfs/dbraw/zinc/23/26/49/166232649.db2.gz KUQVMHWGTKKPEN-OAHLLOKOSA-N 1 0 244.338 2.490 20 30 BEEDRO C=CCCC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000273153462 166241245 /nfs/dbraw/zinc/24/12/45/166241245.db2.gz XSOWXWHFTUCSFI-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCC[C@H](C)[N@H+](CCO)CC1CC1 ZINC000352485550 166246252 /nfs/dbraw/zinc/24/62/52/166246252.db2.gz ZOQXDUNVQDXSGH-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000172619268 166257220 /nfs/dbraw/zinc/25/72/20/166257220.db2.gz UTZDXBLHAGXDDX-GFCCVEGCSA-N 1 0 233.311 2.334 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000276525636 166257411 /nfs/dbraw/zinc/25/74/11/166257411.db2.gz ZHTUNUHSVWHYFM-AWEZNQCLSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000276501431 166257650 /nfs/dbraw/zinc/25/76/50/166257650.db2.gz WDVHCZXYOFNKAU-UHFFFAOYSA-N 1 0 246.354 2.153 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)N(CC=C)CC=C ZINC000276481579 166259131 /nfs/dbraw/zinc/25/91/31/166259131.db2.gz SWJPTMHCABYJIM-ZDUSSCGKSA-N 1 0 236.359 2.083 20 30 BEEDRO C=CCC[N@@H+](CC(=O)OCC)CC(C)C ZINC000265821244 166261674 /nfs/dbraw/zinc/26/16/74/166261674.db2.gz SCNCIDBYUYGWST-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CCC[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000272999281 166262766 /nfs/dbraw/zinc/26/27/66/166262766.db2.gz SFGXJVQOBBWMHW-UHFFFAOYSA-N 1 0 219.328 2.365 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000271219171 166264493 /nfs/dbraw/zinc/26/44/93/166264493.db2.gz JUHCCYHWYKJIGW-OLZOCXBDSA-N 1 0 219.332 2.342 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000273076937 166266442 /nfs/dbraw/zinc/26/64/42/166266442.db2.gz GOPVGRLGFPARMQ-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273103870 166267109 /nfs/dbraw/zinc/26/71/09/166267109.db2.gz MQJHJZPDEHMNHX-LLVKDONJSA-N 1 0 227.254 2.164 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CCC ZINC000340418536 166292644 /nfs/dbraw/zinc/29/26/44/166292644.db2.gz HHTCWJLVPIUCQP-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cnccn1)C1CC1 ZINC000341892221 166295066 /nfs/dbraw/zinc/29/50/66/166295066.db2.gz WKLVTUCRGTYZCJ-CQSZACIVSA-N 1 0 231.343 2.354 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1ncnn1C ZINC000276469994 166295900 /nfs/dbraw/zinc/29/59/00/166295900.db2.gz BFDQOOMHYXLNPP-GHMZBOCLSA-N 1 0 222.336 2.211 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000090181408 166297174 /nfs/dbraw/zinc/29/71/74/166297174.db2.gz JTIPORRJUMRBEY-GXTWGEPZSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000271645135 166297810 /nfs/dbraw/zinc/29/78/10/166297810.db2.gz DFBVDYWSUVOEMX-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000268564469 166298222 /nfs/dbraw/zinc/29/82/22/166298222.db2.gz PTYAGQWMNMZAPN-MRXNPFEDSA-N 1 0 245.366 2.413 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(O)c1ccco1 ZINC000134924851 166299962 /nfs/dbraw/zinc/29/99/62/166299962.db2.gz BVHRHCTYXGOMRC-AAEUAGOBSA-N 1 0 223.316 2.431 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(=O)NCC)c1ccccc1 ZINC000269402002 166301250 /nfs/dbraw/zinc/30/12/50/166301250.db2.gz GQTSQFUHQIQODR-AWEZNQCLSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)O)c1ccco1 ZINC000278981866 166302188 /nfs/dbraw/zinc/30/21/88/166302188.db2.gz PMOCXIWUZHOUJY-QWRGUYRKSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000305057198 166302859 /nfs/dbraw/zinc/30/28/59/166302859.db2.gz FLIJLUVTVCBOHO-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)CC1CCCC1 ZINC000305053943 166303309 /nfs/dbraw/zinc/30/33/09/166303309.db2.gz DMCBMZSRGRRAGM-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271645134 166303375 /nfs/dbraw/zinc/30/33/75/166303375.db2.gz DFBVDYWSUVOEMX-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(COC)cc1 ZINC000154778972 166324015 /nfs/dbraw/zinc/32/40/15/166324015.db2.gz GXZCPVLUDHNAPW-UHFFFAOYSA-N 1 0 205.301 2.451 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1cocn1 ZINC000277401597 166344778 /nfs/dbraw/zinc/34/47/78/166344778.db2.gz HCJPRRYOEUZFPC-UHFFFAOYSA-N 1 0 232.283 2.498 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H]1CCOC1 ZINC000271461957 166345758 /nfs/dbraw/zinc/34/57/58/166345758.db2.gz XGSUTXARXCREQC-AWEZNQCLSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ncc(C)c(C)n2)CC1 ZINC000270804581 166352027 /nfs/dbraw/zinc/35/20/27/166352027.db2.gz VBCKEQCZBIUIHD-UHFFFAOYSA-N 1 0 246.358 2.156 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cnccc2C#N)CC1 ZINC000269964587 166352520 /nfs/dbraw/zinc/35/25/20/166352520.db2.gz MVOALKATOOHFRG-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000266449636 166353069 /nfs/dbraw/zinc/35/30/69/166353069.db2.gz XDUIXXZXZNCQRU-UHFFFAOYSA-N 1 0 217.316 2.144 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccncc2)CC1 ZINC000179387832 166353613 /nfs/dbraw/zinc/35/36/13/166353613.db2.gz ISSKDTMRKCDURY-ZDUSSCGKSA-N 1 0 245.370 2.383 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)[C@@H]([C@H](C)CC)C1 ZINC000270024296 166355330 /nfs/dbraw/zinc/35/53/30/166355330.db2.gz SRQKPOGZFFMBDT-ZIAGYGMSSA-N 1 0 222.376 2.391 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000075998796 166387229 /nfs/dbraw/zinc/38/72/29/166387229.db2.gz IEFBNCIQIKUHRA-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000277288080 166406293 /nfs/dbraw/zinc/40/62/93/166406293.db2.gz SRYOTNOFZRTFTI-ZDUSSCGKSA-N 1 0 243.310 2.437 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000661386924 410605219 /nfs/dbraw/zinc/60/52/19/410605219.db2.gz WPVWMQPTSPQWEK-GFCCVEGCSA-N 1 0 217.316 2.265 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cnnn2CC)C1 ZINC000661386418 410602613 /nfs/dbraw/zinc/60/26/13/410602613.db2.gz SNHRDUHMSWTSEY-GFCCVEGCSA-N 1 0 234.347 2.086 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661492468 410705670 /nfs/dbraw/zinc/70/56/70/410705670.db2.gz OPFWGRQUXQJGHQ-BETUJISGSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000655488968 410794569 /nfs/dbraw/zinc/79/45/69/410794569.db2.gz KHSSBRIHCKSSIM-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)OCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336773574 167225031 /nfs/dbraw/zinc/22/50/31/167225031.db2.gz YYWJHEQEHQEHPH-NEPJUHHUSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000308556299 167384303 /nfs/dbraw/zinc/38/43/03/167384303.db2.gz ZMNXQHQIEFTUKO-MRVPVSSYSA-N 1 0 209.318 2.149 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccccc1C#N ZINC000229813522 167393874 /nfs/dbraw/zinc/39/38/74/167393874.db2.gz ZJDNUJFSRDYIPV-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000652016170 410975269 /nfs/dbraw/zinc/97/52/69/410975269.db2.gz UUFPNZAQTYDJEQ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CCF)C1 ZINC000652016867 410980028 /nfs/dbraw/zinc/98/00/28/410980028.db2.gz ILTNJUDLAFRVSR-IJLUTSLNSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)CCF ZINC000652016971 410982464 /nfs/dbraw/zinc/98/24/64/410982464.db2.gz LBEZZFOEGAQZKU-VXGBXAGGSA-N 1 0 217.328 2.431 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1ccc(C)c(C#N)n1 ZINC000302609286 169795992 /nfs/dbraw/zinc/79/59/92/169795992.db2.gz DQVJFHJFYQPIPI-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000652014515 410944053 /nfs/dbraw/zinc/94/40/53/410944053.db2.gz BTEYNVLEKBFGCL-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000651469416 411050085 /nfs/dbraw/zinc/05/00/85/411050085.db2.gz MOVGORFTZNGJOR-ONGXEEELSA-N 1 0 240.372 2.429 20 30 BEEDRO CC1=C[C@H](C)C[C@@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000592522228 411133610 /nfs/dbraw/zinc/13/36/10/411133610.db2.gz JOCSGVQOZWWHMP-CFVMTHIKSA-N 1 0 248.370 2.329 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCn2ccnc2)C1 ZINC000651668782 411134038 /nfs/dbraw/zinc/13/40/38/411134038.db2.gz YZVNPUGVVZVXGP-OLZOCXBDSA-N 1 0 219.332 2.218 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000651668781 411134465 /nfs/dbraw/zinc/13/44/65/411134465.db2.gz YZVNPUGVVZVXGP-CHWSQXEVSA-N 1 0 219.332 2.218 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000651674310 411134928 /nfs/dbraw/zinc/13/49/28/411134928.db2.gz KAHNFTSNXWPUTO-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(=O)NCCC)C1 ZINC000651684505 411135463 /nfs/dbraw/zinc/13/54/63/411135463.db2.gz PBXIUXPOHREOBJ-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(=O)NCCC)C1 ZINC000651684502 411135667 /nfs/dbraw/zinc/13/56/67/411135667.db2.gz PBXIUXPOHREOBJ-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nc(C)no2)C1 ZINC000651706792 411137331 /nfs/dbraw/zinc/13/73/31/411137331.db2.gz MRSVKZDOTLISKH-VXGBXAGGSA-N 1 0 235.331 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000651710105 411137783 /nfs/dbraw/zinc/13/77/83/411137783.db2.gz QVBGMBDHQNRHEA-NEPJUHHUSA-N 1 0 209.333 2.357 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000593112946 411138194 /nfs/dbraw/zinc/13/81/94/411138194.db2.gz SNIPULDQFWPIQA-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(C)C)C1 ZINC000651712646 411138287 /nfs/dbraw/zinc/13/82/87/411138287.db2.gz NBUJJRUPFGXLBQ-JHJVBQTASA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000651727847 411139404 /nfs/dbraw/zinc/13/94/04/411139404.db2.gz CRGVNCYHQWILRK-YNEHKIRRSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000651727846 411139405 /nfs/dbraw/zinc/13/94/05/411139405.db2.gz CRGVNCYHQWILRK-RWMBFGLXSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)CC)C1 ZINC000651737529 411140053 /nfs/dbraw/zinc/14/00/53/411140053.db2.gz IBJWRKJBHJWFCH-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@](C)(CC)CO)C1 ZINC000651749591 411140594 /nfs/dbraw/zinc/14/05/94/411140594.db2.gz BPKMMMSLWVTEAU-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](COC)CC(C)(C)C ZINC000651747345 411140846 /nfs/dbraw/zinc/14/08/46/411140846.db2.gz AKTMWRQRXYKGIV-STQMWFEESA-N 1 0 243.391 2.212 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](COC)CC(C)(C)C ZINC000651747343 411140923 /nfs/dbraw/zinc/14/09/23/411140923.db2.gz AKTMWRQRXYKGIV-OLZOCXBDSA-N 1 0 243.391 2.212 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000651753622 411141317 /nfs/dbraw/zinc/14/13/17/411141317.db2.gz YULNAHJAZKEXRV-XJFOESAGSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000651759805 411141912 /nfs/dbraw/zinc/14/19/12/411141912.db2.gz CVGHMJSFKUYADB-STQMWFEESA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(CO)CCC2)C1 ZINC000651760231 411142019 /nfs/dbraw/zinc/14/20/19/411142019.db2.gz UWVRCBUSKDPBEP-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2c1CCC2 ZINC000651761007 411142173 /nfs/dbraw/zinc/14/21/73/411142173.db2.gz AGPADGSYSYXLDF-CQSZACIVSA-N 1 0 231.339 2.202 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2cnccc2o1 ZINC000651767117 411142823 /nfs/dbraw/zinc/14/28/23/411142823.db2.gz HSBWSFHYQAJTSJ-UHFFFAOYSA-N 1 0 202.257 2.446 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000651785008 411143669 /nfs/dbraw/zinc/14/36/69/411143669.db2.gz MDYLKGKHWVGZJU-IVZWLZJFSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000651791314 411143921 /nfs/dbraw/zinc/14/39/21/411143921.db2.gz QBMATVWLLYYMMF-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000651820482 411145950 /nfs/dbraw/zinc/14/59/50/411145950.db2.gz IBJPPKVMMMLASG-DGAVXFQQSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)[C@H](C)O)C1 ZINC000651822796 411146065 /nfs/dbraw/zinc/14/60/65/411146065.db2.gz KICFDKZMIYHWKN-QNWHQSFQSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000651828667 411146455 /nfs/dbraw/zinc/14/64/55/411146455.db2.gz YEHYITNJVRGDFK-CHWSQXEVSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000651828670 411146580 /nfs/dbraw/zinc/14/65/80/411146580.db2.gz YEHYITNJVRGDFK-STQMWFEESA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000651828564 411146682 /nfs/dbraw/zinc/14/66/82/411146682.db2.gz RCJLZDHCKLDINJ-YVECIDJPSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@](C)(O)C2)C1 ZINC000651832538 411146942 /nfs/dbraw/zinc/14/69/42/411146942.db2.gz UAQKWRCHMWSVKD-ZDEQEGDKSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(N(C)C)CC2)C1 ZINC000651833197 411147042 /nfs/dbraw/zinc/14/70/42/411147042.db2.gz TVBJSQGPSJNHBQ-STQMWFEESA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(OC)CC2)C1 ZINC000651833894 411147176 /nfs/dbraw/zinc/14/71/76/411147176.db2.gz TWQGIFFYMIZFCY-OCCSQVGLSA-N 1 0 238.375 2.347 20 30 BEEDRO CC[NH+](CC)C[C@H](C)NCc1cccc(C#N)c1 ZINC000045690134 411148357 /nfs/dbraw/zinc/14/83/57/411148357.db2.gz ZXQJJBGZLYVBBV-ZDUSSCGKSA-N 1 0 245.370 2.378 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC[C@]1(O)CCOC1 ZINC000651943691 411156356 /nfs/dbraw/zinc/15/63/56/411156356.db2.gz AUUURJIOLFXMTN-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCOCC[NH2+]C1CC(CF)(CF)C1 ZINC000657930049 411170904 /nfs/dbraw/zinc/17/09/04/411170904.db2.gz ARZLBYQIBKRBJU-UHFFFAOYSA-N 1 0 233.302 2.257 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](O)COC ZINC000657936357 411172125 /nfs/dbraw/zinc/17/21/25/411172125.db2.gz QAGQHCFKKDKKOU-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](COC)OC ZINC000657968777 411182306 /nfs/dbraw/zinc/18/23/06/411182306.db2.gz FEVKACNIWNZVND-MCIONIFRSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657973956 411184255 /nfs/dbraw/zinc/18/42/55/411184255.db2.gz KZCTZNUCUHDFLS-ZYHUDNBSSA-N 1 0 246.310 2.415 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000657977623 411186805 /nfs/dbraw/zinc/18/68/05/411186805.db2.gz DDZJUABBVRVQLS-MNOVXSKESA-N 1 0 233.302 2.339 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000336780068 411187138 /nfs/dbraw/zinc/18/71/38/411187138.db2.gz QGXSXYXUJAKWAM-LLVKDONJSA-N 1 0 215.300 2.307 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653811240 411189102 /nfs/dbraw/zinc/18/91/02/411189102.db2.gz ALGVHZVKFCTXBB-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000653701426 411194473 /nfs/dbraw/zinc/19/44/73/411194473.db2.gz RACARTRIVFAGMJ-HNNXBMFYSA-N 1 0 244.338 2.108 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](CO)CCF)C1CC1 ZINC000652305201 411195333 /nfs/dbraw/zinc/19/53/33/411195333.db2.gz XTFKZOQYHGRQNU-NEPJUHHUSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCN(C)C ZINC000658016169 411198497 /nfs/dbraw/zinc/19/84/97/411198497.db2.gz XGCSDCXUBRSBNE-STQMWFEESA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000653874010 411203766 /nfs/dbraw/zinc/20/37/66/411203766.db2.gz ZKJXACHUKPVRIG-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658027957 411204307 /nfs/dbraw/zinc/20/43/07/411204307.db2.gz AQERDFMKHKKUNX-NSHDSACASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000653877702 411206867 /nfs/dbraw/zinc/20/68/67/411206867.db2.gz RUHJIUFQUFRNQL-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCn2nccc21 ZINC000658029480 411207019 /nfs/dbraw/zinc/20/70/19/411207019.db2.gz JMVNTGKKCHGSBA-SCRDCRAPSA-N 1 0 247.342 2.041 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000658032494 411210522 /nfs/dbraw/zinc/21/05/22/411210522.db2.gz SROZRRALVNAIOG-WUHRBBMRSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000658103566 411245977 /nfs/dbraw/zinc/24/59/77/411245977.db2.gz WQIFUGGLHDQQFZ-DCAQKATOSA-N 1 0 220.320 2.228 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CC)C(=O)NC ZINC000658032769 411211087 /nfs/dbraw/zinc/21/10/87/411211087.db2.gz VCNPMUSPBCJDTL-AGIUHOORSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC ZINC000658038266 411213691 /nfs/dbraw/zinc/21/36/91/411213691.db2.gz OQPXTUMHQLNBHA-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CO)CCF ZINC000658043405 411216259 /nfs/dbraw/zinc/21/62/59/411216259.db2.gz HGKMXFQHBGJSRI-UPJWGTAASA-N 1 0 229.339 2.431 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)nn1 ZINC000658043201 411216613 /nfs/dbraw/zinc/21/66/13/411216613.db2.gz BRWIKCNKAQCLCT-OCCSQVGLSA-N 1 0 248.374 2.082 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn(C)nn1 ZINC000658043198 411216819 /nfs/dbraw/zinc/21/68/19/411216819.db2.gz BRWIKCNKAQCLCT-JSGCOSHPSA-N 1 0 248.374 2.082 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000658104069 411246655 /nfs/dbraw/zinc/24/66/55/411246655.db2.gz YSTDCMUSFKTGOA-USZNOCQGSA-N 1 0 234.347 2.474 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cn1cncn1 ZINC000658060658 411226385 /nfs/dbraw/zinc/22/63/85/411226385.db2.gz OPXWARQDNAFMKY-MGPQQGTHSA-N 1 0 248.374 2.391 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])NC1CCCCC1 ZINC000233356888 411229035 /nfs/dbraw/zinc/22/90/35/411229035.db2.gz SWJQJVOEOIYMRK-LLVKDONJSA-N 1 0 221.348 2.235 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000658070875 411231794 /nfs/dbraw/zinc/23/17/94/411231794.db2.gz AGFINIWEBWGADM-MELADBBJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000310297828 411232203 /nfs/dbraw/zinc/23/22/03/411232203.db2.gz MPGOBXPXVKENMJ-GFCCVEGCSA-N 1 0 235.327 2.115 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(OC)cc1F ZINC000310293017 411232695 /nfs/dbraw/zinc/23/26/95/411232695.db2.gz KDAVBSMVHMQCHO-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](COC)OC ZINC000658084843 411234654 /nfs/dbraw/zinc/23/46/54/411234654.db2.gz PJFIHYOKSXSPPA-XQQFMLRXSA-N 1 0 229.364 2.228 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@](C)(CO)OC ZINC000655787634 411235704 /nfs/dbraw/zinc/23/57/04/411235704.db2.gz YBQSLOHZSZUVKK-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)O ZINC000657924479 411167544 /nfs/dbraw/zinc/16/75/44/411167544.db2.gz ADBOIENVQDQIMG-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000656452190 411273433 /nfs/dbraw/zinc/27/34/33/411273433.db2.gz BJLZQEUXMSBBKR-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC ZINC000658190131 411285797 /nfs/dbraw/zinc/28/57/97/411285797.db2.gz OQPXTUMHQLNBHA-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656505218 411287720 /nfs/dbraw/zinc/28/77/20/411287720.db2.gz RZNRNIXDVORSNZ-SNVBAGLBSA-N 1 0 202.301 2.234 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000658207066 411293359 /nfs/dbraw/zinc/29/33/59/411293359.db2.gz SCEZUMOHEMUSRF-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cncnc1C ZINC000658206606 411293644 /nfs/dbraw/zinc/29/36/44/411293644.db2.gz PAQSCQRNRAVFIQ-LLVKDONJSA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCOCCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000658210330 411294502 /nfs/dbraw/zinc/29/45/02/411294502.db2.gz QIIXAWVWVSQNMO-ZDUSSCGKSA-N 1 0 249.358 2.054 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000658210693 411295461 /nfs/dbraw/zinc/29/54/61/411295461.db2.gz VNPUWHOEQPHELT-CYBMUJFWSA-N 1 0 237.347 2.054 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658251318 411311341 /nfs/dbraw/zinc/31/13/41/411311341.db2.gz GPDVGXBBAMPSPJ-WUHRBBMRSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654063724 411326151 /nfs/dbraw/zinc/32/61/51/411326151.db2.gz ULLPPIIUVPIPOE-TXEJJXNPSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000658115932 411249048 /nfs/dbraw/zinc/24/90/48/411249048.db2.gz XTJPYGQQUHWKPB-LLVKDONJSA-N 1 0 219.332 2.446 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655771788 411255228 /nfs/dbraw/zinc/25/52/28/411255228.db2.gz FTCBVAZBRHYYRI-KXNHARMFSA-N 1 0 227.373 2.204 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCn2ccnc21 ZINC000655772907 411255692 /nfs/dbraw/zinc/25/56/92/411255692.db2.gz NLATWHZBDDQQIB-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=CCC[C@@H]([NH2+]C/C=C\CO)c1ccco1 ZINC000658132756 411256435 /nfs/dbraw/zinc/25/64/35/411256435.db2.gz BIQLJJBONKOSHF-QMAVJUDZSA-N 1 0 221.300 2.425 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000336291670 167974356 /nfs/dbraw/zinc/97/43/56/167974356.db2.gz CPXJVMZKUAVWGI-CYBMUJFWSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCSc1ccccc1F ZINC000662166255 411370575 /nfs/dbraw/zinc/37/05/75/411370575.db2.gz XQXHXYMOLYOVMY-SNVBAGLBSA-N 1 0 241.331 2.054 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000070591652 411336287 /nfs/dbraw/zinc/33/62/87/411336287.db2.gz ZBRPXJVJFLYYEA-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO C=CCCC1(C[NH2+]C[C@H](O)COC)CCCC1 ZINC000656703832 411339143 /nfs/dbraw/zinc/33/91/43/411339143.db2.gz XMGVVTRJESJAIR-ZDUSSCGKSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000656705428 411340434 /nfs/dbraw/zinc/34/04/34/411340434.db2.gz QMLSQHQTRITLME-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]2CCO[C@@H]21 ZINC000174424971 167996242 /nfs/dbraw/zinc/99/62/42/167996242.db2.gz KPMNVPWVEWEGQQ-AVGNSLFASA-N 1 0 246.310 2.054 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000658334534 411342664 /nfs/dbraw/zinc/34/26/64/411342664.db2.gz LVUGOHBVYWUWHL-MWLCHTKSSA-N 1 0 248.351 2.494 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000658334877 411343454 /nfs/dbraw/zinc/34/34/54/411343454.db2.gz WIVYTMRWCDCEHN-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C[NH2+]Cc2ccc(C#N)o2)CCOCC1 ZINC000227834836 168042329 /nfs/dbraw/zinc/04/23/29/168042329.db2.gz BYUFVFYGFFTTOQ-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO CC1(CO)CC[NH+](Cc2ccccc2C#N)CC1 ZINC000186920139 168052127 /nfs/dbraw/zinc/05/21/27/168052127.db2.gz GYMNXJOIHHTQOS-UHFFFAOYSA-N 1 0 244.338 2.153 20 30 BEEDRO C=CCCn1cc(C[NH+]2CCCCCC2)nn1 ZINC000653490162 411380079 /nfs/dbraw/zinc/38/00/79/411380079.db2.gz YDXGDLVHCBGQNW-UHFFFAOYSA-N 1 0 234.347 2.230 20 30 BEEDRO CC1=CC[N@H+](CCNc2ccc(C#N)cn2)CC1 ZINC000302147634 168113229 /nfs/dbraw/zinc/11/32/29/168113229.db2.gz KBEMXOAENJEGNB-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO CC1CC[NH+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000034673826 168182296 /nfs/dbraw/zinc/18/22/96/168182296.db2.gz XROZLCZVCDXMGF-HNNXBMFYSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652992260 411390596 /nfs/dbraw/zinc/39/05/96/411390596.db2.gz IAMDETHHGJSRRD-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000653052894 411406441 /nfs/dbraw/zinc/40/64/41/411406441.db2.gz OPSOXJUJPQWEIL-GXTWGEPZSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CC)CCC)nn1 ZINC000653510288 411415820 /nfs/dbraw/zinc/41/58/20/411415820.db2.gz WNDNLXQPDFVEDH-UHFFFAOYSA-N 1 0 222.336 2.086 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659476531 411418780 /nfs/dbraw/zinc/41/87/80/411418780.db2.gz CIBLKYOONYVUDZ-LLVKDONJSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)nn1 ZINC000653595109 411430733 /nfs/dbraw/zinc/43/07/33/411430733.db2.gz VTOKQHBVGXPIEJ-STQMWFEESA-N 1 0 248.374 2.332 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655735267 411443406 /nfs/dbraw/zinc/44/34/06/411443406.db2.gz GEGTYZRXJZLWAR-WOPDTQHZSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655738595 411444624 /nfs/dbraw/zinc/44/46/24/411444624.db2.gz YJSFSOJUXXRISB-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655738593 411444866 /nfs/dbraw/zinc/44/48/66/411444866.db2.gz YJSFSOJUXXRISB-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2(CC)CCC2)nn1 ZINC000657382878 411488274 /nfs/dbraw/zinc/48/82/74/411488274.db2.gz FPTUBCWKMNVDTH-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2(C(C)C)CC2)nn1 ZINC000657392327 411492529 /nfs/dbraw/zinc/49/25/29/411492529.db2.gz VBBABCVETDAZOR-UHFFFAOYSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C)nc(C)n2)CC1 ZINC000659916412 411496695 /nfs/dbraw/zinc/49/66/95/411496695.db2.gz MIGBCEWYAKICHW-UHFFFAOYSA-N 1 0 231.343 2.491 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnn2c1CCC2 ZINC000657436792 411509245 /nfs/dbraw/zinc/50/92/45/411509245.db2.gz CRHSLOLQMVYEJN-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@](C)(CO)OC ZINC000655802123 411518404 /nfs/dbraw/zinc/51/84/04/411518404.db2.gz WWTBTNKJRNGBTR-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccnn1CCC ZINC000657483470 411528611 /nfs/dbraw/zinc/52/86/11/411528611.db2.gz QWYXTCPSYDBYND-KGLIPLIRSA-N 1 0 249.358 2.116 20 30 BEEDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328335768 170022023 /nfs/dbraw/zinc/02/20/23/170022023.db2.gz JBWPLKKOTYWYJT-DOMZBBRYSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000657566485 411552964 /nfs/dbraw/zinc/55/29/64/411552964.db2.gz KPQPIIYDVSJHLB-XQQFMLRXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnnn1C ZINC000657529750 411544710 /nfs/dbraw/zinc/54/47/10/411544710.db2.gz HPBBNASDXPJDQA-WCQYABFASA-N 1 0 234.347 2.040 20 30 BEEDRO C=CCC1([NH2+]Cc2cccn2C)CCOCC1 ZINC000657633787 411567502 /nfs/dbraw/zinc/56/75/02/411567502.db2.gz WZTKDHDFOYBWAW-UHFFFAOYSA-N 1 0 234.343 2.240 20 30 BEEDRO C=CCC1([NH2+]Cc2nc(C)c(C)[nH]2)CCOCC1 ZINC000657634289 411567523 /nfs/dbraw/zinc/56/75/23/411567523.db2.gz GNATXYZDJRPNMB-UHFFFAOYSA-N 1 0 249.358 2.241 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000657658241 411571896 /nfs/dbraw/zinc/57/18/96/411571896.db2.gz PZFSYMSWABRFIB-ZIAGYGMSSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCCC[NH2+]Cc1csc(CC)n1 ZINC000657657804 411572010 /nfs/dbraw/zinc/57/20/10/411572010.db2.gz DHRBWHBBZVCRJM-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCCSC1 ZINC000657658958 411572471 /nfs/dbraw/zinc/57/24/71/411572471.db2.gz LLGKLJVPHOASRT-NSHDSACASA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cn2ccccc2n1 ZINC000657658435 411572544 /nfs/dbraw/zinc/57/25/44/411572544.db2.gz XUZWLYMXWIBYGF-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000657659173 411572569 /nfs/dbraw/zinc/57/25/69/411572569.db2.gz PUIFZMAGJNVUHZ-UHFFFAOYSA-N 1 0 247.342 2.036 20 30 BEEDRO C=C(C)CC[N@H+]1CCCN(CC)C[C@H]1C ZINC000660785633 411631420 /nfs/dbraw/zinc/63/14/20/411631420.db2.gz BECUWFPOUCGIPL-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](OC)C1CCCC1 ZINC000660403099 411580031 /nfs/dbraw/zinc/58/00/31/411580031.db2.gz OAYPPWMQMVBWGL-AWEZNQCLSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660524211 411595795 /nfs/dbraw/zinc/59/57/95/411595795.db2.gz CADHRPHSAPRYJQ-IUCAKERBSA-N 1 0 225.254 2.100 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC)C1 ZINC000657789779 411596832 /nfs/dbraw/zinc/59/68/32/411596832.db2.gz JLSBIKFTDVDRJX-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000657794848 411599686 /nfs/dbraw/zinc/59/96/86/411599686.db2.gz XQVWUWBVPGVYIA-GFCCVEGCSA-N 1 0 230.311 2.113 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(C)C ZINC000657823523 411607237 /nfs/dbraw/zinc/60/72/37/411607237.db2.gz MJZBFTZCFXTMIO-STQMWFEESA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCNC(C)=O ZINC000657827971 411608214 /nfs/dbraw/zinc/60/82/14/411608214.db2.gz QIVVZXLIIRPXLN-ZIAGYGMSSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1cn[nH]n1 ZINC000661115048 411712802 /nfs/dbraw/zinc/71/28/02/411712802.db2.gz ORBSCDLJLKGMIZ-YPMHNXCESA-N 1 0 234.347 2.072 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145625 411719191 /nfs/dbraw/zinc/71/91/91/411719191.db2.gz MZWSYUYFIWMLPM-KBPBESRZSA-N 1 0 248.374 2.345 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000661218840 411734055 /nfs/dbraw/zinc/73/40/55/411734055.db2.gz LFDFRKRLPFBONI-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000661218839 411734307 /nfs/dbraw/zinc/73/43/07/411734307.db2.gz LFDFRKRLPFBONI-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@H+](Cc1cnccc1C)[C@H](C)COC ZINC000661242649 411742419 /nfs/dbraw/zinc/74/24/19/411742419.db2.gz ROJOCSOQXHNEIK-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)CCC)C1 ZINC000661385826 411753764 /nfs/dbraw/zinc/75/37/64/411753764.db2.gz QENOGPDZGJQWMW-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000661379353 411761893 /nfs/dbraw/zinc/76/18/93/411761893.db2.gz XGCLHOIIQQSAQV-CYBMUJFWSA-N 1 0 246.354 2.173 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661440469 411777815 /nfs/dbraw/zinc/77/78/15/411777815.db2.gz CZULUGUUTMJRFU-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661142801 411719388 /nfs/dbraw/zinc/71/93/88/411719388.db2.gz ZWPFGRGMDSHRAB-CQSZACIVSA-N 1 0 248.374 2.346 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661168134 411726420 /nfs/dbraw/zinc/72/64/20/411726420.db2.gz MMPNPHLQLDWGIY-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[N@@H+](CCn1cc(C)cn1)C(C)(C)C ZINC000661756228 411865695 /nfs/dbraw/zinc/86/56/95/411865695.db2.gz GRXMSLLFTHPLPP-UHFFFAOYSA-N 1 0 221.348 2.478 20 30 BEEDRO C=CC[N@@H+](CCCCS(C)(=O)=O)C(C)(C)C ZINC000661756590 411865971 /nfs/dbraw/zinc/86/59/71/411865971.db2.gz RSKXZVZLGNXAMV-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO C=CC[N@@H+](CCOC[C@H]1CCCO1)C(C)(C)C ZINC000661756041 411866347 /nfs/dbraw/zinc/86/63/47/411866347.db2.gz AOJTVNUYCGPSEO-CYBMUJFWSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[N@@H+](CCn1cccn1)C(C)(C)C ZINC000661756457 411866814 /nfs/dbraw/zinc/86/68/14/411866814.db2.gz PSZYSJUSXVWHDH-UHFFFAOYSA-N 1 0 207.321 2.170 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)CCOC(C)C)C(C)(C)C ZINC000661756993 411867150 /nfs/dbraw/zinc/86/71/50/411867150.db2.gz AKSIHLNDGAWKIY-CYBMUJFWSA-N 1 0 243.391 2.449 20 30 BEEDRO C=CCN(Cc1csnn1)C(C)(C)C ZINC000661760294 411860272 /nfs/dbraw/zinc/86/02/72/411860272.db2.gz PJDDLVNCEWWVJD-UHFFFAOYSA-N 1 0 211.334 2.325 20 30 BEEDRO C=CC[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661739106 411861377 /nfs/dbraw/zinc/86/13/77/411861377.db2.gz YXLLVZWAADKIEM-UHFFFAOYSA-N 1 0 203.285 2.239 20 30 BEEDRO C=CCCNc1nc(C(C)C)nc(N(C)C)n1 ZINC000664227785 411889169 /nfs/dbraw/zinc/88/91/69/411889169.db2.gz KAJLCBLHVXROEE-UHFFFAOYSA-N 1 0 235.335 2.049 20 30 BEEDRO C=CCC1([NH2+]C[C@H](O)COC(C)C)CCCC1 ZINC000661849825 411900996 /nfs/dbraw/zinc/90/09/96/411900996.db2.gz HPWARSGVFSCKKS-ZDUSSCGKSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC1([NH2+]Cc2nc(C)no2)CCCC1 ZINC000661847657 411901541 /nfs/dbraw/zinc/90/15/41/411901541.db2.gz BYBGUKGQUJEPFS-UHFFFAOYSA-N 1 0 221.304 2.357 20 30 BEEDRO C=CCC1([NH2+]CCC(=O)NC(C)C)CCCC1 ZINC000661847653 411901626 /nfs/dbraw/zinc/90/16/26/411901626.db2.gz BVBBELQFSROJFX-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC1([NH2+]C[C@H](O)C(F)(F)F)CCCC1 ZINC000661852100 411902833 /nfs/dbraw/zinc/90/28/33/411902833.db2.gz JYAYTNCGNOZVSH-VIFPVBQESA-N 1 0 237.265 2.388 20 30 BEEDRO C=C(C)C[NH+]1CCC2(CCCC2=O)CC1 ZINC000661952419 411918382 /nfs/dbraw/zinc/91/83/82/411918382.db2.gz XLVYUJSPSHHEMB-UHFFFAOYSA-N 1 0 207.317 2.398 20 30 BEEDRO C=CCOCCCNc1cc[nH+]c(CC)c1 ZINC000664385532 411937101 /nfs/dbraw/zinc/93/71/01/411937101.db2.gz WNWOMPHKEKVJKO-UHFFFAOYSA-N 1 0 220.316 2.071 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](CC=C)C(C)(C)C)C1=O ZINC000661759992 411871037 /nfs/dbraw/zinc/87/10/37/411871037.db2.gz NTMMIAVGVBDZNN-GFCCVEGCSA-N 1 0 236.359 2.060 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661776449 411882739 /nfs/dbraw/zinc/88/27/39/411882739.db2.gz ZTTTWFZSKYOBKH-KGLIPLIRSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000662074432 411975901 /nfs/dbraw/zinc/97/59/01/411975901.db2.gz VCUXLMRYUNWPFR-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cc(C)cn1 ZINC000662083601 411980063 /nfs/dbraw/zinc/98/00/63/411980063.db2.gz HGDNOPQKTKPNSI-OKILXGFUSA-N 1 0 231.343 2.375 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnn(C)c1 ZINC000662084938 411982299 /nfs/dbraw/zinc/98/22/99/411982299.db2.gz YEYJTZXGIGHHHW-BETUJISGSA-N 1 0 217.316 2.103 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)c1nncn1C ZINC000662090088 411985386 /nfs/dbraw/zinc/98/53/86/411985386.db2.gz IKBUKEOXFBDOIF-SDDRHHMPSA-N 1 0 232.331 2.059 20 30 BEEDRO CC[C@@H]([NH2+]CCN(C)C)c1ccc(C#N)cc1 ZINC000286849086 170894520 /nfs/dbraw/zinc/89/45/20/170894520.db2.gz AGMPLBYMJNEUIR-CQSZACIVSA-N 1 0 231.343 2.161 20 30 BEEDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164623034 170925096 /nfs/dbraw/zinc/92/50/96/170925096.db2.gz RBPRDGIYQKFWDQ-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662166857 412016039 /nfs/dbraw/zinc/01/60/39/412016039.db2.gz VOUSSLGUEKRSOC-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@@H]1CCC[C@@H](C)C1 ZINC000662167210 412016890 /nfs/dbraw/zinc/01/68/90/412016890.db2.gz VOHLKPJRDXWBQU-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO COCC#CC[N@H+](C)C[C@@H]1CCc2ccccc21 ZINC000662196458 412023639 /nfs/dbraw/zinc/02/36/39/412023639.db2.gz BCGCLAYVRPUGLB-HNNXBMFYSA-N 1 0 243.350 2.298 20 30 BEEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](C)O1 ZINC000119648078 171079705 /nfs/dbraw/zinc/07/97/05/171079705.db2.gz HTRXEGLAMHGFPE-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C#N)nc1 ZINC000218082941 171308485 /nfs/dbraw/zinc/30/84/85/171308485.db2.gz CUSNRMQCTBAQKF-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1nccc(C)c1C#N ZINC000230077997 171308512 /nfs/dbraw/zinc/30/85/12/171308512.db2.gz TVYYJWOKKGQTMV-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189590492 171389867 /nfs/dbraw/zinc/38/98/67/171389867.db2.gz DUJZQPUHAUDONP-QWRGUYRKSA-N 1 0 219.332 2.421 20 30 BEEDRO C=C(C)CC[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662298845 412085947 /nfs/dbraw/zinc/08/59/47/412085947.db2.gz QTBLUSFJPRETJO-UHFFFAOYSA-N 1 0 244.338 2.110 20 30 BEEDRO C=C(C)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311756 412094464 /nfs/dbraw/zinc/09/44/64/412094464.db2.gz DPWAIKKJKZORJJ-OKILXGFUSA-N 1 0 221.344 2.455 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000662380760 412133673 /nfs/dbraw/zinc/13/36/73/412133673.db2.gz KITKRJVKHBWODS-DNOWBOINSA-N 1 0 248.370 2.060 20 30 BEEDRO C=CC[C@@]1(C(=O)N(CC)CC(C)C)CCC[NH2+]1 ZINC000662502384 412197779 /nfs/dbraw/zinc/19/77/79/412197779.db2.gz KRPVZILXTDPDBC-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@]1(C(=O)N(C)CC(C)(C)C)CCC[NH2+]1 ZINC000662520213 412202493 /nfs/dbraw/zinc/20/24/93/412202493.db2.gz FVVUKXGOQXRGQK-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662529078 412205615 /nfs/dbraw/zinc/20/56/15/412205615.db2.gz NSDKWJWNEBVOMH-UHFFFAOYSA-N 1 0 246.310 2.071 20 30 BEEDRO C=CC[C@]1(C(=O)N(C)C[C@H](C)CC)CCC[NH2+]1 ZINC000662589954 412232619 /nfs/dbraw/zinc/23/26/19/412232619.db2.gz MTQJHLLUUJUXAI-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@]1(C(=O)N(C)C[C@@H](C)CC)CCC[NH2+]1 ZINC000662589952 412232928 /nfs/dbraw/zinc/23/29/28/412232928.db2.gz MTQJHLLUUJUXAI-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC1(CNC(=O)CC[NH2+]C)CCCC1 ZINC000662621640 412244375 /nfs/dbraw/zinc/24/43/75/412244375.db2.gz ZEQBKYZIGDLSMD-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000662631111 412250565 /nfs/dbraw/zinc/25/05/65/412250565.db2.gz PMKGHCPNFIVNEG-LLVKDONJSA-N 1 0 248.326 2.167 20 30 BEEDRO C=CC[C@]1(C(=O)NCC[C@H](C)CC)CCC[NH2+]1 ZINC000662854644 412324729 /nfs/dbraw/zinc/32/47/29/412324729.db2.gz PAEBYUFGPUKPKI-TZMCWYRMSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC1(NC(=O)CC[NH2+]C(C)C)CCCC1 ZINC000662888914 412336270 /nfs/dbraw/zinc/33/62/70/412336270.db2.gz PSDLFYUBTLPDJW-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC1(NC(=O)CCCC[NH3+])CCCC1 ZINC000662888051 412336536 /nfs/dbraw/zinc/33/65/36/412336536.db2.gz CVAOMEBORIATNK-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000662953337 412353319 /nfs/dbraw/zinc/35/33/19/412353319.db2.gz MMWSORWAQUKXQZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000662794047 412304985 /nfs/dbraw/zinc/30/49/85/412304985.db2.gz WSBRHRIXFAVGGK-OCCSQVGLSA-N 1 0 238.375 2.236 20 30 BEEDRO CCn1cc(C[NH2+]Cc2ccc(C#N)s2)cn1 ZINC000353086473 172171565 /nfs/dbraw/zinc/17/15/65/172171565.db2.gz JGTOBUPBHJCMIR-UHFFFAOYSA-N 1 0 246.339 2.126 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000068554628 172537324 /nfs/dbraw/zinc/53/73/24/172537324.db2.gz PYUVCGUVADDXIN-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ncccc2C#N)C1 ZINC000267210406 172537948 /nfs/dbraw/zinc/53/79/48/172537948.db2.gz BMNFILXCQWFJFU-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@@H+]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061850790 173015892 /nfs/dbraw/zinc/01/58/92/173015892.db2.gz AXBVWJZIUGSRIQ-UHFFFAOYSA-N 1 0 249.745 2.354 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2)CC1(C)C ZINC000104137080 173086285 /nfs/dbraw/zinc/08/62/85/173086285.db2.gz OLEDMXIBYHMGOQ-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO CCN1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC001652278596 1173056028 /nfs/dbraw/zinc/05/60/28/1173056028.db2.gz CPOYUJUMZJRMHG-YMAMQOFZSA-N 1 0 249.402 2.390 20 30 BEEDRO COCC(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000309455200 174073691 /nfs/dbraw/zinc/07/36/91/174073691.db2.gz QSUBDZKZAYFJGC-UHFFFAOYSA-N 1 0 238.356 2.382 20 30 BEEDRO COCC1([NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC000284163100 174110128 /nfs/dbraw/zinc/11/01/28/174110128.db2.gz WMEMUAYMDNWIDD-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO COCC1([NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000284047484 174110147 /nfs/dbraw/zinc/11/01/47/174110147.db2.gz PDPJXNVMYVZNPI-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO COCC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000093103577 174120147 /nfs/dbraw/zinc/12/01/47/174120147.db2.gz RKWCHUMLLCEYQG-UHFFFAOYSA-N 1 0 234.299 2.010 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000044346292 174200246 /nfs/dbraw/zinc/20/02/46/174200246.db2.gz QIQJSRUWKVJOKC-UHFFFAOYSA-N 1 0 218.300 2.074 20 30 BEEDRO COCCC[N@H+](C)Cc1ccccc1C#N ZINC000059487514 174218924 /nfs/dbraw/zinc/21/89/24/174218924.db2.gz ZWXMCSPLQWHGMA-UHFFFAOYSA-N 1 0 218.300 2.027 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361828281 174506178 /nfs/dbraw/zinc/50/61/78/174506178.db2.gz KJKMVSKNKURREO-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO COC[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000045657885 174533993 /nfs/dbraw/zinc/53/39/93/174533993.db2.gz UJNDDHFTDKKKPZ-VXGBXAGGSA-N 1 0 232.327 2.491 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000191256607 174866770 /nfs/dbraw/zinc/86/67/70/174866770.db2.gz NTEAHXXJOYWPFG-CYBMUJFWSA-N 1 0 249.358 2.047 20 30 BEEDRO COc1cc(C[NH2+]C2CC(C)C2)ccc1C#N ZINC000234899047 174983437 /nfs/dbraw/zinc/98/34/37/174983437.db2.gz HZMSMRVVWMNBDU-UHFFFAOYSA-N 1 0 230.311 2.455 20 30 BEEDRO COc1ccc(C#N)cc1CN1CC[C@H](F)C1 ZINC000336262720 175051699 /nfs/dbraw/zinc/05/16/99/175051699.db2.gz MLTSNODTDHEBDD-LBPRGKRZSA-N 1 0 234.274 2.111 20 30 BEEDRO CS[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000128063550 175563730 /nfs/dbraw/zinc/56/37/30/175563730.db2.gz KVKZMFJPDRUZBV-SNVBAGLBSA-N 1 0 220.341 2.399 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000230158154 175741035 /nfs/dbraw/zinc/74/10/35/175741035.db2.gz TVTZOHKJGSOQGW-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](CO)C1CC1)c1cccc(C#N)c1 ZINC000353856467 175890987 /nfs/dbraw/zinc/89/09/87/175890987.db2.gz BSIXIPWXAOHQKS-IAQYHMDHSA-N 1 0 244.338 2.227 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000271972818 175892875 /nfs/dbraw/zinc/89/28/75/175892875.db2.gz WZYBZZJGINWBSA-GHMZBOCLSA-N 1 0 248.301 2.384 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000020206848 175897325 /nfs/dbraw/zinc/89/73/25/175897325.db2.gz IQNHLAIQHBYZBC-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336609820 176012861 /nfs/dbraw/zinc/01/28/61/176012861.db2.gz RYWJSMZZSMIVMW-SMDDNHRTSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(CO)CC1 ZINC000265482609 176013027 /nfs/dbraw/zinc/01/30/27/176013027.db2.gz MARFHVUCVXWCTI-LBPRGKRZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279916718 176013500 /nfs/dbraw/zinc/01/35/00/176013500.db2.gz WBFWGFAOQZWJFY-SMDDNHRTSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(O)CC1 ZINC000189349047 176016906 /nfs/dbraw/zinc/01/69/06/176016906.db2.gz ICISZDALUYPCHF-NSHDSACASA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000189340903 176017061 /nfs/dbraw/zinc/01/70/61/176017061.db2.gz BYYLMYJQSYXPFP-JSGCOSHPSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H](c1ccco1)[N@H+](C)CCOCCC#N ZINC000292693812 176031980 /nfs/dbraw/zinc/03/19/80/176031980.db2.gz ARLRTDRKFNTTBM-NSHDSACASA-N 1 0 222.288 2.203 20 30 BEEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccc(C#N)cc1 ZINC000191277184 176055123 /nfs/dbraw/zinc/05/51/23/176055123.db2.gz FPZHISSKVMTFDG-VXGBXAGGSA-N 1 0 244.338 2.292 20 30 BEEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1cccc(C#N)c1 ZINC000136163020 176119651 /nfs/dbraw/zinc/11/96/51/176119651.db2.gz XMEWCVGOJVUPCQ-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C ZINC000191436535 176174329 /nfs/dbraw/zinc/17/43/29/176174329.db2.gz QXUZCZLQTNFFAU-GHMZBOCLSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000271140811 176174887 /nfs/dbraw/zinc/17/48/87/176174887.db2.gz PCRVRGAUOYIBOG-SECBINFHSA-N 1 0 206.314 2.462 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000335552887 176237031 /nfs/dbraw/zinc/23/70/31/176237031.db2.gz TUMWJPJBACCKNF-ZWNOBZJWSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C#N)s1 ZINC000135690961 176268487 /nfs/dbraw/zinc/26/84/87/176268487.db2.gz YFGNXKWVUYFPSP-MFKMUULPSA-N 1 0 249.383 2.050 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362099437 176314022 /nfs/dbraw/zinc/31/40/22/176314022.db2.gz UNTRPZGYDKLXMH-TYNCELHUSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[NH2+]1 ZINC000061845589 176319379 /nfs/dbraw/zinc/31/93/79/176319379.db2.gz CZXKASDAWBCGAA-SECBINFHSA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000277628931 176340133 /nfs/dbraw/zinc/34/01/33/176340133.db2.gz YUJTXAAWHRKIGO-HIFRSBDPSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000277628933 176344411 /nfs/dbraw/zinc/34/44/11/176344411.db2.gz YUJTXAAWHRKIGO-UKRRQHHQSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(F)(C#N)CC2)CCO1 ZINC000352485571 176369017 /nfs/dbraw/zinc/36/90/17/176369017.db2.gz ZWGLSMUGOYVXRJ-NEPJUHHUSA-N 1 0 240.322 2.129 20 30 BEEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000304274581 176534295 /nfs/dbraw/zinc/53/42/95/176534295.db2.gz CNYFUIGWYMFWDP-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(C#N)cc1 ZINC000295083621 176606137 /nfs/dbraw/zinc/60/61/37/176606137.db2.gz QPPVFJSYAHLSPP-LLVKDONJSA-N 1 0 232.327 2.197 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000094941768 176623598 /nfs/dbraw/zinc/62/35/98/176623598.db2.gz AZZWBMLATGKBGH-VXGBXAGGSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H](CNc1ccc(F)cc1C#N)[NH+](C)C ZINC000082516468 176686511 /nfs/dbraw/zinc/68/65/11/176686511.db2.gz QUUMXOTYFADNKY-SECBINFHSA-N 1 0 221.279 2.059 20 30 BEEDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc(C#N)c1 ZINC000311072866 176863876 /nfs/dbraw/zinc/86/38/76/176863876.db2.gz KLFHDGZFXTUYPU-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC000355767784 176876243 /nfs/dbraw/zinc/87/62/43/176876243.db2.gz NILVPCHDXSSGRK-WFASDCNBSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](CCO)CC1CC1 ZINC000352485505 177033047 /nfs/dbraw/zinc/03/30/47/177033047.db2.gz YXEMCXLBPQHEIU-GFCCVEGCSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CCCCO ZINC000276380015 177034939 /nfs/dbraw/zinc/03/49/39/177034939.db2.gz LJSIESQLDSJFHJ-GFCCVEGCSA-N 1 0 232.327 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC(C)(C)O ZINC000187691332 177035462 /nfs/dbraw/zinc/03/54/62/177035462.db2.gz DPDTUPTVGCVGFM-LLVKDONJSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@H]1CCC[C@H](C)[NH+]1CCOCCC#N ZINC000338984338 177130969 /nfs/dbraw/zinc/13/09/69/177130969.db2.gz ZOTHVPRYQVNIRF-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)o2)CCS1 ZINC000190690792 177163585 /nfs/dbraw/zinc/16/35/85/177163585.db2.gz YVWOYRUFODVJDC-JTQLQIEISA-N 1 0 236.340 2.479 20 30 BEEDRO C[C@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)CC[C@@H]1C ZINC000191376198 177164192 /nfs/dbraw/zinc/16/41/92/177164192.db2.gz GBIRZGZCEOCYPL-RYUDHWBXSA-N 1 0 231.343 2.375 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ncc(C#N)cn2)C[C@H](C)C1 ZINC000332198983 177168127 /nfs/dbraw/zinc/16/81/27/177168127.db2.gz BMUZPBIVKYBXLS-NWDGAFQWSA-N 1 0 244.342 2.216 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000362042576 177177103 /nfs/dbraw/zinc/17/71/03/177177103.db2.gz CELDOFKMLBFYQG-LBPRGKRZSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000309105640 177193593 /nfs/dbraw/zinc/19/35/93/177193593.db2.gz HTRMQEIMRIBWMJ-DTWKUNHWSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)O1 ZINC000128295453 177202906 /nfs/dbraw/zinc/20/29/06/177202906.db2.gz KUKRXMCVAPOYKY-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000336487931 177288875 /nfs/dbraw/zinc/28/88/75/177288875.db2.gz IFQDYGBGHFNBLE-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000191752664 177294925 /nfs/dbraw/zinc/29/49/25/177294925.db2.gz DFNZHXACTFSIKJ-FZMZJTMJSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000277443450 177296537 /nfs/dbraw/zinc/29/65/37/177296537.db2.gz LLMGHTXSRQCYPA-SWLSCSKDSA-N 1 0 247.313 2.192 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000277690325 177297419 /nfs/dbraw/zinc/29/74/19/177297419.db2.gz HIIUQMXHBMUZLN-SMDDNHRTSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CCO1 ZINC000219901805 177370326 /nfs/dbraw/zinc/37/03/26/177370326.db2.gz NCWZTJOIPHWENH-VHSXEESVSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@]1(CNc2ccc(C#N)cc2F)CCC[NH2+]C1 ZINC000129354081 177463943 /nfs/dbraw/zinc/46/39/43/177463943.db2.gz VNHIHPUUMCQFQA-AWEZNQCLSA-N 1 0 247.317 2.499 20 30 BEEDRO Cc1cc(C[N@H+](C)C[C@@H]2CCOC2)ccc1C#N ZINC000488468969 225405194 /nfs/dbraw/zinc/40/51/94/225405194.db2.gz YQBCOVIIRWPLCK-AWEZNQCLSA-N 1 0 244.338 2.335 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@H]1C ZINC000487984323 225335668 /nfs/dbraw/zinc/33/56/68/225335668.db2.gz BAFFNQLQFVDNAC-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C[NH+](C)CCSCc1cccc(F)c1C#N ZINC000488284799 225360484 /nfs/dbraw/zinc/36/04/84/225360484.db2.gz WNAWDXBJHDYKRJ-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO CO[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)C1CC1 ZINC000400168902 226332998 /nfs/dbraw/zinc/33/29/98/226332998.db2.gz KMOIOQQVLGYEIL-HNNXBMFYSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@H]1C[C@@H](O)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000401963621 226364108 /nfs/dbraw/zinc/36/41/08/226364108.db2.gz QVKZTAPCQCCAAZ-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO COCC[N@H+](Cc1ccc(C#N)s1)C1CC1 ZINC000507154442 226366152 /nfs/dbraw/zinc/36/61/52/226366152.db2.gz JUZJTFUATYBJEJ-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO CC#CCCCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414616418 487651824 /nfs/dbraw/zinc/65/18/24/487651824.db2.gz KCBMGAUGEGRMNM-LLVKDONJSA-N 1 0 235.331 2.462 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CCCC(C)(C)C#N)C1 ZINC000510141237 229294188 /nfs/dbraw/zinc/29/41/88/229294188.db2.gz ZHHJGCMJRNKZAG-TXEJJXNPSA-N 1 0 224.348 2.426 20 30 BEEDRO COCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309048902 229310978 /nfs/dbraw/zinc/31/09/78/229310978.db2.gz PSLRSGDITQADPQ-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404003642 229358332 /nfs/dbraw/zinc/35/83/32/229358332.db2.gz NRHRJYBMJKOVNJ-SKDRFNHKSA-N 1 0 218.275 2.443 20 30 BEEDRO COC[C@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404012884 229360096 /nfs/dbraw/zinc/36/00/96/229360096.db2.gz QIKYLHQTBXZSOO-SNVBAGLBSA-N 1 0 236.290 2.069 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)CCCC[NH+](C)C ZINC000681000478 487691904 /nfs/dbraw/zinc/69/19/04/487691904.db2.gz OZZDALIKQYNYTK-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO CC[C@H](C[NH+]1CCC(C)(C#N)CC1)OC ZINC000396998322 262831134 /nfs/dbraw/zinc/83/11/34/262831134.db2.gz AGSNWOGQRDGSNN-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527912878 262888938 /nfs/dbraw/zinc/88/89/38/262888938.db2.gz WFPJEWVBBCWANE-XQHKEYJVSA-N 1 0 221.344 2.356 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000527984228 262898307 /nfs/dbraw/zinc/89/83/07/262898307.db2.gz ZMVJQNCLOVQXCG-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]Cc1cc(C#N)cs1 ZINC000397606556 262927640 /nfs/dbraw/zinc/92/76/40/262927640.db2.gz ATSJAIZGUWIJMI-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000397620907 262927889 /nfs/dbraw/zinc/92/78/89/262927889.db2.gz DKVDQUHLAZLQTK-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO COCC#CC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000681036374 487703526 /nfs/dbraw/zinc/70/35/26/487703526.db2.gz XMINUEHLBNNTCU-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO CC[C@@H](C)C[NH2+]Cc1nc(C#N)cs1 ZINC000395095686 266355802 /nfs/dbraw/zinc/35/58/02/266355802.db2.gz CBXRKGIZXMPFPG-MRVPVSSYSA-N 1 0 209.318 2.150 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226356929 487716049 /nfs/dbraw/zinc/71/60/49/487716049.db2.gz YODFUTMMPCATNF-DMDPSCGWSA-N 1 0 232.327 2.013 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000527783787 267155282 /nfs/dbraw/zinc/15/52/82/267155282.db2.gz UPMCVOHYDDSUHX-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO C[N@H+](Cc1ccc(F)cc1C#N)C1CCOCC1 ZINC000531343191 267317209 /nfs/dbraw/zinc/31/72/09/267317209.db2.gz SZMOZULYQISIKB-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO CCCCCCN(O)C(=O)C[N@H+](C)C(C)C ZINC000904205585 584853035 /nfs/dbraw/zinc/85/30/35/584853035.db2.gz NRYKYXXJVDPFCB-UHFFFAOYSA-N 1 0 230.352 2.125 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172650384 974896005 /nfs/dbraw/zinc/89/60/05/974896005.db2.gz MIDZLPXCBZMEFE-JTQLQIEISA-N 1 0 209.333 2.334 20 30 BEEDRO C=CCOCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773455 487791809 /nfs/dbraw/zinc/79/18/09/487791809.db2.gz SYOQUEZAOKHTPP-UHFFFAOYSA-N 1 0 231.286 2.310 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681477694 487802642 /nfs/dbraw/zinc/80/26/42/487802642.db2.gz GAJIWRWAVHYDMH-HNNXBMFYSA-N 1 0 243.350 2.471 20 30 BEEDRO CC(C)C[C@H](C)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153246 487807809 /nfs/dbraw/zinc/80/78/09/487807809.db2.gz LJAANMWLSTVNHF-QWHCGFSZSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nncn2CC)C1 ZINC000651664646 487813463 /nfs/dbraw/zinc/81/34/63/487813463.db2.gz XGALKULYCZXYMK-OLZOCXBDSA-N 1 0 248.374 2.175 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680532 487816970 /nfs/dbraw/zinc/81/69/70/487816970.db2.gz CGQNAABJMBAYSC-QWRGUYRKSA-N 1 0 231.286 2.492 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCn2cnnc2CC)C1 ZINC000651724322 487821686 /nfs/dbraw/zinc/82/16/86/487821686.db2.gz RFGRCHICQGQAAG-STQMWFEESA-N 1 0 248.374 2.175 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(C)(C)O)C1 ZINC000651766829 487826083 /nfs/dbraw/zinc/82/60/83/487826083.db2.gz VSEWPVRVJXHOHJ-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000491751181 527333120 /nfs/dbraw/zinc/33/31/20/527333120.db2.gz XMUJVSBMNSUJGU-JTQLQIEISA-N 1 0 221.275 2.288 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CCOC)COC)C1 ZINC000651813971 487833893 /nfs/dbraw/zinc/83/38/93/487833893.db2.gz DSLCDKCUEPFFDS-MGPQQGTHSA-N 1 0 241.375 2.372 20 30 BEEDRO C#CCCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000831778953 587631478 /nfs/dbraw/zinc/63/14/78/587631478.db2.gz YOSGBVCDLCKJNW-LBPRGKRZSA-N 1 0 209.358 2.227 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CC[C@H](C)C1 ZINC000308893226 487835504 /nfs/dbraw/zinc/83/55/04/487835504.db2.gz YKNAULZOJXEKPU-STQMWFEESA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625652779 487835839 /nfs/dbraw/zinc/83/58/39/487835839.db2.gz GHZRBGBPUUGDEP-AXFHLTTASA-N 1 0 233.302 2.147 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[S@](=O)CC)C1 ZINC000845935733 588250836 /nfs/dbraw/zinc/25/08/36/588250836.db2.gz ARRLVMDZGJONOO-LALPHHSUSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cn(CC=C)nn2)C1 ZINC000651835758 487839691 /nfs/dbraw/zinc/83/96/91/487839691.db2.gz YYFBZODZJSMTSI-OLZOCXBDSA-N 1 0 246.358 2.299 20 30 BEEDRO C#C[C@@H]([NH2+]CCC=C(C)C)[C@@H]1CCCO1 ZINC000851949164 588647265 /nfs/dbraw/zinc/64/72/65/588647265.db2.gz BCVNTENMNUSTAA-OLZOCXBDSA-N 1 0 207.317 2.113 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(c2nc(C)no2)CC1 ZINC000677047913 487842422 /nfs/dbraw/zinc/84/24/22/487842422.db2.gz KNZBIIQRFFZOBK-LLVKDONJSA-N 1 0 247.342 2.359 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](C#N)CCC#N ZINC000077176973 487844201 /nfs/dbraw/zinc/84/42/01/487844201.db2.gz OIPTZKKBXKHFHX-GFCCVEGCSA-N 1 0 205.305 2.328 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000122303510 633206035 /nfs/dbraw/zinc/20/60/35/633206035.db2.gz SMGCDJGIXXFROM-QMMMGPOBSA-N 1 0 227.739 2.436 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1cncs1 ZINC000167256505 487853589 /nfs/dbraw/zinc/85/35/89/487853589.db2.gz ZVZMQKQKFDXUOX-SECBINFHSA-N 1 0 209.318 2.488 20 30 BEEDRO CCC[C@@H]([NH2+]C[C@H](O)CC#N)C(C)(C)C ZINC000930623616 639827624 /nfs/dbraw/zinc/82/76/24/639827624.db2.gz RJIFNMXQWSWUAD-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO C#CC[N@@H+](CCc1cscn1)C(C)(C)C ZINC000932464031 640539193 /nfs/dbraw/zinc/53/91/93/640539193.db2.gz SPVPCNLPEOQYSN-UHFFFAOYSA-N 1 0 222.357 2.419 20 30 BEEDRO CCOCCC[NH2+]CC(C)(C)CCC#N ZINC000126604032 322960217 /nfs/dbraw/zinc/96/02/17/322960217.db2.gz LYBRHRDXLXBWCT-UHFFFAOYSA-N 1 0 212.337 2.333 20 30 BEEDRO COCC#CC[N@H+](C)CC1(c2ccccc2)CC1 ZINC000682030647 487883886 /nfs/dbraw/zinc/88/38/86/487883886.db2.gz GMKDTMOJONTNPC-UHFFFAOYSA-N 1 0 243.350 2.300 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000682042125 487889676 /nfs/dbraw/zinc/88/96/76/487889676.db2.gz OQVBDEOQFVUOEV-OLZOCXBDSA-N 1 0 211.349 2.291 20 30 BEEDRO CC[N@H+](CC#CCOC)C1CCCCC1 ZINC000677133365 487894188 /nfs/dbraw/zinc/89/41/88/487894188.db2.gz SEZKUMAFRMDDAD-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCCCC[NH2+]C[C@]1(OC)CCOC1 ZINC000234947159 487895973 /nfs/dbraw/zinc/89/59/73/487895973.db2.gz STQCSQSTGHWCDI-CYBMUJFWSA-N 1 0 227.348 2.128 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671253763 487910340 /nfs/dbraw/zinc/91/03/40/487910340.db2.gz IINMCMCMMWROPZ-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC1([NH2+]C2CC(C)C2)CCOCC1 ZINC000668551029 487920977 /nfs/dbraw/zinc/92/09/77/487920977.db2.gz GVMBRQBFBIOXPY-UHFFFAOYSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC1([NH2+][C@H](C)[C@H]2CCOC2)CCOCC1 ZINC000668551808 487923286 /nfs/dbraw/zinc/92/32/86/487923286.db2.gz XPUGIPBCAAUVKS-OLZOCXBDSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000161933197 487953200 /nfs/dbraw/zinc/95/32/00/487953200.db2.gz QYRXREQZGMGLIV-AWEZNQCLSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1(COC)CCOCC1 ZINC000560565735 322989566 /nfs/dbraw/zinc/98/95/66/322989566.db2.gz ZVTXCOIBKSDETB-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCCNC(C)=O ZINC000150885246 323001740 /nfs/dbraw/zinc/00/17/40/323001740.db2.gz MHJBFHSIUUBPFB-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CC(C)[N@H+](CCC#N)CC[C@H]1CCOC1 ZINC000401004244 323025261 /nfs/dbraw/zinc/02/52/61/323025261.db2.gz OJYVJBMNBSPADC-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C[N@H+](CCCSCC#N)CCC1CC1 ZINC000135294554 323028300 /nfs/dbraw/zinc/02/83/00/323028300.db2.gz RUPGNMHMNQCMFH-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000248659139 323029855 /nfs/dbraw/zinc/02/98/55/323029855.db2.gz YNRZKAGRGOPPCQ-YVECIDJPSA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@@H](CC#N)NCC[C@H]1CCCC[N@@H+]1C ZINC000566982304 323030439 /nfs/dbraw/zinc/03/04/39/323030439.db2.gz UJFHPYWKTRZBBC-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO CC[C@@H](CC#N)NCC[C@@H]1CCCC[N@@H+]1C ZINC000566982307 323030451 /nfs/dbraw/zinc/03/04/51/323030451.db2.gz UJFHPYWKTRZBBC-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCOCC1 ZINC000569654145 323035624 /nfs/dbraw/zinc/03/56/24/323035624.db2.gz AFAKJOLRVOTVRL-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000569938323 323044891 /nfs/dbraw/zinc/04/48/91/323044891.db2.gz WVTCTTGDZRXWJX-HNNXBMFYSA-N 1 0 246.354 2.464 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000569983930 323046435 /nfs/dbraw/zinc/04/64/35/323046435.db2.gz JNRDGTJBZZWVII-NEPJUHHUSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(C)CN(CC)Cc1nc(C2CC2)nn1C ZINC000570207140 323052853 /nfs/dbraw/zinc/05/28/53/323052853.db2.gz JRONLHXTIDIWMG-UHFFFAOYSA-N 1 0 234.347 2.091 20 30 BEEDRO C=CC1CCN(Cc2nc(C3CC3)nn2C)CC1 ZINC000570206286 323052887 /nfs/dbraw/zinc/05/28/87/323052887.db2.gz GPACBGGEHFMHFL-UHFFFAOYSA-N 1 0 246.358 2.091 20 30 BEEDRO C[C@H](O)[C@H](C)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000567688401 323066613 /nfs/dbraw/zinc/06/66/13/323066613.db2.gz PLBSJQMIPIPFEE-SGMGOOAPSA-N 1 0 232.327 2.390 20 30 BEEDRO COc1cc(F)cc(C[C@H](C)[NH2+]CCC#N)c1 ZINC000570794716 323070648 /nfs/dbraw/zinc/07/06/48/323070648.db2.gz FVGIWWIBWNDSGL-JTQLQIEISA-N 1 0 236.290 2.269 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1cccc(OC)c1 ZINC000570864769 323073099 /nfs/dbraw/zinc/07/30/99/323073099.db2.gz ZIJVANVRBKQUEL-GFCCVEGCSA-N 1 0 248.326 2.356 20 30 BEEDRO CC(C)[C@H](CNCCC#N)[NH+]1CCCCCC1 ZINC000562983633 323078024 /nfs/dbraw/zinc/07/80/24/323078024.db2.gz AQZGQYUUCJFSDP-AWEZNQCLSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CCCCCCN(C)C(=O)CCCC[NH3+] ZINC000563082771 323089347 /nfs/dbraw/zinc/08/93/47/323089347.db2.gz NVGNABNGACYVQW-UHFFFAOYSA-N 1 0 226.364 2.320 20 30 BEEDRO C=C[C@@H](CC(=O)NC(C)(C)C[NH3+])c1ccccc1 ZINC000563201572 323101459 /nfs/dbraw/zinc/10/14/59/323101459.db2.gz WMTIDYHZWPOTBQ-LBPRGKRZSA-N 1 0 246.354 2.200 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1sccc1C ZINC000320259675 323102094 /nfs/dbraw/zinc/10/20/94/323102094.db2.gz JLCSZKKIZATXFA-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCCCCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000563421662 323124028 /nfs/dbraw/zinc/12/40/28/323124028.db2.gz PBEFECSCUMGLJR-GFCCVEGCSA-N 1 0 241.379 2.030 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1c(C)noc1C ZINC000563547066 323129755 /nfs/dbraw/zinc/12/97/55/323129755.db2.gz OLXCYMMGESDFCR-NSHDSACASA-N 1 0 221.304 2.116 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2cccnc2C#N)C1 ZINC000571154359 323136832 /nfs/dbraw/zinc/13/68/32/323136832.db2.gz KNDAWMYRHVWLDF-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1Cc2ccccc2C1 ZINC000571254547 323139289 /nfs/dbraw/zinc/13/92/89/323139289.db2.gz LBQHDMTUCKPFKD-INIZCTEOSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000571634815 323150136 /nfs/dbraw/zinc/15/01/36/323150136.db2.gz DTWNONKYXNGPOH-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000305203262 323168166 /nfs/dbraw/zinc/16/81/66/323168166.db2.gz WWKXYIHSMJOREJ-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000563806344 323178099 /nfs/dbraw/zinc/17/80/99/323178099.db2.gz RLDICVVCSWPULE-HNNXBMFYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000285168168 323178600 /nfs/dbraw/zinc/17/86/00/323178600.db2.gz MTWYDWSDYIFDNV-WZRBSPASSA-N 1 0 235.331 2.042 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C(C)C)C1CC1 ZINC000308882511 323180653 /nfs/dbraw/zinc/18/06/53/323180653.db2.gz USHIKARQAUUUNP-AAEUAGOBSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000320667991 323182921 /nfs/dbraw/zinc/18/29/21/323182921.db2.gz MQUNWBQULATAPO-SNVBAGLBSA-N 1 0 213.321 2.082 20 30 BEEDRO CC(C)(C)OCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308983789 323183489 /nfs/dbraw/zinc/18/34/89/323183489.db2.gz JBXLNQKUURCEMW-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)NCCC[NH2+]C(C)C ZINC000518941600 323188961 /nfs/dbraw/zinc/18/89/61/323188961.db2.gz MYJZDYDIMGNIOT-GFCCVEGCSA-N 1 0 241.379 2.028 20 30 BEEDRO CC(C)N(CCC#N)Cc1ccn(C)c1 ZINC000535795665 323191683 /nfs/dbraw/zinc/19/16/83/323191683.db2.gz ITWGQOIVYHEKMK-UHFFFAOYSA-N 1 0 205.305 2.149 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000309189367 323325956 /nfs/dbraw/zinc/32/59/56/323325956.db2.gz PLSDFIFYJAUUQM-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000564093678 323428463 /nfs/dbraw/zinc/42/84/63/323428463.db2.gz BKMQZSVJYWYHQD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000677048140 487959193 /nfs/dbraw/zinc/95/91/93/487959193.db2.gz NVFJFUUCNJSHAW-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N[C@@H](C)CC)c1ccc(F)cc1 ZINC000262668961 323615263 /nfs/dbraw/zinc/61/52/63/323615263.db2.gz OMKHCAFCRMFSGR-GXFFZTMASA-N 1 0 247.317 2.203 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000528000757 323736095 /nfs/dbraw/zinc/73/60/95/323736095.db2.gz ODNJVSYUCYLLRO-SMDDNHRTSA-N 1 0 244.338 2.494 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000528008321 323747193 /nfs/dbraw/zinc/74/71/93/323747193.db2.gz SCIXEGJLRCJEGJ-PRSXHHODSA-N 1 0 236.359 2.470 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(F)cc1F ZINC000537023335 323975731 /nfs/dbraw/zinc/97/57/31/323975731.db2.gz VNDJJHLIUWILAF-JTQLQIEISA-N 1 0 241.281 2.239 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(OCC)n1 ZINC000121384171 324010496 /nfs/dbraw/zinc/01/04/96/324010496.db2.gz HFCCOPAYPFJAMV-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000121529165 324016424 /nfs/dbraw/zinc/01/64/24/324016424.db2.gz UAXDDORPIHHLJX-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO N#Cc1c(F)cccc1NCC[NH+]1CCCC1 ZINC000060991875 324054303 /nfs/dbraw/zinc/05/43/03/324054303.db2.gz QLWRYOOABJBRLR-UHFFFAOYSA-N 1 0 233.290 2.205 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000682436378 487962530 /nfs/dbraw/zinc/96/25/30/487962530.db2.gz JUYYKMHDTYPOPM-UHFFFAOYSA-N 1 0 242.326 2.275 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000398105706 324217961 /nfs/dbraw/zinc/21/79/61/324217961.db2.gz VMVFDJFARBBJTO-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@@H](C)[C@H]2C)nn1 ZINC000653559362 487966507 /nfs/dbraw/zinc/96/65/07/487966507.db2.gz ZAAFQJQARAKABN-CHWSQXEVSA-N 1 0 248.374 2.475 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CCCO1 ZINC000130314783 325038215 /nfs/dbraw/zinc/03/82/15/325038215.db2.gz CNUVDKODDLXPSY-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000130492686 325058221 /nfs/dbraw/zinc/05/82/21/325058221.db2.gz QPZSORGVAVQYCO-VIFPVBQESA-N 1 0 207.273 2.065 20 30 BEEDRO CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H](C)C#N)n1 ZINC000543623775 325098488 /nfs/dbraw/zinc/09/84/88/325098488.db2.gz LBVJIGNMAQPFTM-NEPJUHHUSA-N 1 0 234.347 2.144 20 30 BEEDRO CCCC[C@H](COC)[NH2+][C@H](CC)CC#N ZINC000131233664 325128308 /nfs/dbraw/zinc/12/83/08/325128308.db2.gz VIPGAECHCMOAGL-VXGBXAGGSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@@H](c1cnccn1)[NH+]1CCC(CC#N)CC1 ZINC000545226447 325196255 /nfs/dbraw/zinc/19/62/55/325196255.db2.gz IBQLJPZVKRVQJW-NSHDSACASA-N 1 0 230.315 2.163 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](C(=O)NCCCC)C1 ZINC000132665915 325234073 /nfs/dbraw/zinc/23/40/73/325234073.db2.gz QKWRZSQHAZZMHN-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000545904480 325245026 /nfs/dbraw/zinc/24/50/26/325245026.db2.gz WHOXZIXPVWAXDL-LLVKDONJSA-N 1 0 249.276 2.443 20 30 BEEDRO CN(CCCC#N)CC[C@H]1CCCC[N@@H+]1C ZINC000075860019 325318150 /nfs/dbraw/zinc/31/81/50/325318150.db2.gz QTBBNNVSBDTJCO-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CC(C)OCC[NH2+]Cc1cc(C#N)cs1 ZINC000134114592 325344363 /nfs/dbraw/zinc/34/43/63/325344363.db2.gz DVBDMKPPMQWGAH-UHFFFAOYSA-N 1 0 224.329 2.134 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000547405698 325351598 /nfs/dbraw/zinc/35/15/98/325351598.db2.gz OIXLGPVTRIQUME-MGPQQGTHSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(C)cn1 ZINC000134286455 325352276 /nfs/dbraw/zinc/35/22/76/325352276.db2.gz MTBRGSOMGGPBPP-UHFFFAOYSA-N 1 0 222.357 2.399 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000134509391 325362399 /nfs/dbraw/zinc/36/23/99/325362399.db2.gz BAEXBAUDQJFHJX-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(C#N)s2)CCC1 ZINC000134658698 325370200 /nfs/dbraw/zinc/37/02/00/325370200.db2.gz CPWCBKYHZVLXQE-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[S@](C)=O)C1CC1 ZINC000134893845 325381742 /nfs/dbraw/zinc/38/17/42/325381742.db2.gz FTBGBFBLFFTZGA-IFUGULHKSA-N 1 0 229.389 2.088 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000134964640 325384847 /nfs/dbraw/zinc/38/48/47/325384847.db2.gz SIZJHCXRNWHQQY-JSGCOSHPSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCCc2cc(C#N)ccc21)[C@H](C)O ZINC000554375538 325717098 /nfs/dbraw/zinc/71/70/98/325717098.db2.gz QYLMKFMJZMDITR-ZETOZRRWSA-N 1 0 244.338 2.295 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCCCC#N ZINC000566303833 326030996 /nfs/dbraw/zinc/03/09/96/326030996.db2.gz KLUOAPOFWFUOLZ-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566404951 326040209 /nfs/dbraw/zinc/04/02/09/326040209.db2.gz SCRIVWUIRVAUQZ-WCQYABFASA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000566408140 326040532 /nfs/dbraw/zinc/04/05/32/326040532.db2.gz SSCLLDSVNDINBE-YVECIDJPSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000566408139 326040596 /nfs/dbraw/zinc/04/05/96/326040596.db2.gz SSCLLDSVNDINBE-WUHRBBMRSA-N 1 0 238.375 2.091 20 30 BEEDRO CCC[C@]1([NH2+]Cc2ccc(C#N)cn2)CCOC1 ZINC000566425877 326045100 /nfs/dbraw/zinc/04/51/00/326045100.db2.gz HWWAXBUVVJKSFF-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cnccn1 ZINC000566572135 326065869 /nfs/dbraw/zinc/06/58/69/326065869.db2.gz KRPANRCARWMGAL-UHFFFAOYSA-N 1 0 205.305 2.313 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000566719339 326076210 /nfs/dbraw/zinc/07/62/10/326076210.db2.gz XFTBFIUZWYUITI-ZDUSSCGKSA-N 1 0 238.375 2.320 20 30 BEEDRO CC#CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000566969558 326097893 /nfs/dbraw/zinc/09/78/93/326097893.db2.gz HZXSLWIESXQQQK-UHFFFAOYSA-N 1 0 230.311 2.018 20 30 BEEDRO CC1CC[NH+](CCN(CC#N)C2CCCC2)CC1 ZINC000153994073 326123918 /nfs/dbraw/zinc/12/39/18/326123918.db2.gz WMLOXJOKZWXZNS-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000567693249 326246027 /nfs/dbraw/zinc/24/60/27/326246027.db2.gz LWJJXPQASWQLHB-YIFLHPOLSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]CCc1cccc(C#N)c1 ZINC000567699946 326247606 /nfs/dbraw/zinc/24/76/06/326247606.db2.gz AGSRDNVFSNILOC-CQSZACIVSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000567701751 326248082 /nfs/dbraw/zinc/24/80/82/326248082.db2.gz JVVVIZJWAMFQJV-JSGCOSHPSA-N 1 0 244.338 2.044 20 30 BEEDRO CC[NH+](CC)Cc1cnc2ccc(C#N)cn12 ZINC000156918573 326248709 /nfs/dbraw/zinc/24/87/09/326248709.db2.gz VPIIFQJMCBYIIR-UHFFFAOYSA-N 1 0 228.299 2.048 20 30 BEEDRO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000567789820 326258514 /nfs/dbraw/zinc/25/85/14/326258514.db2.gz FQMTUGFDEFTCNS-FRRDWIJNSA-N 1 0 222.332 2.178 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000567799177 326259653 /nfs/dbraw/zinc/25/96/53/326259653.db2.gz FEDAUBDELZRXCF-JSGCOSHPSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@@H]([NH3+])Cc1ccccc1 ZINC000567799178 326259835 /nfs/dbraw/zinc/25/98/35/326259835.db2.gz FEDAUBDELZRXCF-OCCSQVGLSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2F ZINC000273426530 326265416 /nfs/dbraw/zinc/26/54/16/326265416.db2.gz KLJMYZVJUXLZOH-YGRLFVJLSA-N 1 0 235.302 2.340 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]CCC(C)(C)C#N ZINC000567992683 326293139 /nfs/dbraw/zinc/29/31/39/326293139.db2.gz XDRODVQHMDEGHL-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000568152141 326312951 /nfs/dbraw/zinc/31/29/51/326312951.db2.gz YJLTVBBEFWMPAZ-XQQFMLRXSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000568149236 326313330 /nfs/dbraw/zinc/31/33/30/326313330.db2.gz FKRUDCQILWWDGV-TZMCWYRMSA-N 1 0 246.354 2.405 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C[C@H](C)O1 ZINC000568209632 326326558 /nfs/dbraw/zinc/32/65/58/326326558.db2.gz ZLADHYXVHOGASU-GDNZZTSVSA-N 1 0 224.348 2.472 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1C=CCCC1 ZINC000568501162 326358993 /nfs/dbraw/zinc/35/89/93/326358993.db2.gz FSEHBKHPMPXHMQ-VXGBXAGGSA-N 1 0 203.289 2.128 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cncnc1C ZINC000568651080 326371140 /nfs/dbraw/zinc/37/11/40/326371140.db2.gz HPVGICJSZNRFFB-ONGXEEELSA-N 1 0 205.305 2.400 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000568715039 326373092 /nfs/dbraw/zinc/37/30/92/326373092.db2.gz BSSOCBKUNOJIEF-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H]1CCCC1(F)F ZINC000568975278 326384239 /nfs/dbraw/zinc/38/42/39/326384239.db2.gz DBIBEPDECLXKQE-GHMZBOCLSA-N 1 0 241.285 2.455 20 30 BEEDRO CC(C)C[C@H]1C[C@H]([NH2+]CCC#N)CCO1 ZINC000569096499 326389656 /nfs/dbraw/zinc/38/96/56/326389656.db2.gz DHMGVSODTRUCIE-NEPJUHHUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000569307660 326399548 /nfs/dbraw/zinc/39/95/48/326399548.db2.gz GVWQHLVOCVXGJS-CQSZACIVSA-N 1 0 241.375 2.469 20 30 BEEDRO COCC#CC[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000677132810 487979378 /nfs/dbraw/zinc/97/93/78/487979378.db2.gz SLXPFNMZAFRJHO-GFCCVEGCSA-N 1 0 235.302 2.468 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000677133293 487980142 /nfs/dbraw/zinc/98/01/42/487980142.db2.gz QFMGZEICMASOGM-OAHLLOKOSA-N 1 0 229.323 2.256 20 30 BEEDRO CC(C)OCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185898645 487981103 /nfs/dbraw/zinc/98/11/03/487981103.db2.gz CZBNGIRHQRDMAL-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+]C(C(C)C)C(C)C)C1=O ZINC000685002966 487988999 /nfs/dbraw/zinc/98/89/99/487988999.db2.gz GEMCHYBQOIFJDG-GFCCVEGCSA-N 1 0 238.375 2.044 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CCC[C@H]2C)nn1 ZINC000653639598 488001591 /nfs/dbraw/zinc/00/15/91/488001591.db2.gz KGPVSKNUIKSTRS-YPMHNXCESA-N 1 0 234.347 2.132 20 30 BEEDRO COCCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602917128 488002169 /nfs/dbraw/zinc/00/21/69/488002169.db2.gz SFOMROSCWFVHIT-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CCC[C@@H]2C)nn1 ZINC000653639595 488002047 /nfs/dbraw/zinc/00/20/47/488002047.db2.gz KGPVSKNUIKSTRS-AAEUAGOBSA-N 1 0 234.347 2.132 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172745385 974919297 /nfs/dbraw/zinc/91/92/97/974919297.db2.gz INQLILCLKMIZFF-VXGBXAGGSA-N 1 0 240.347 2.389 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(O)(C1CC1)C1CC1 ZINC000668619780 488020288 /nfs/dbraw/zinc/02/02/88/488020288.db2.gz QPYYELBHHSUBLQ-NSHDSACASA-N 1 0 223.360 2.482 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H]1CCO[C@@H](C)C1 ZINC000491666536 488036822 /nfs/dbraw/zinc/03/68/22/488036822.db2.gz WRWSMMBGWKRMNH-NWDGAFQWSA-N 1 0 209.333 2.145 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C ZINC000682777273 488037040 /nfs/dbraw/zinc/03/70/40/488037040.db2.gz JHOHVTBKRPDCMG-JHJVBQTASA-N 1 0 209.333 2.003 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1cccc(F)c1 ZINC000677476694 488045884 /nfs/dbraw/zinc/04/58/84/488045884.db2.gz AXXNMXNVCUZYBG-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCOc1cccc(C)c1 ZINC000677477219 488047313 /nfs/dbraw/zinc/04/73/13/488047313.db2.gz APPKWAUAVAGKBO-HNNXBMFYSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CCC1([NH2+]C[C@H](O)C(C)C)CCCC1 ZINC000661850316 488062574 /nfs/dbraw/zinc/06/25/74/488062574.db2.gz HCGSAHBQFGZTEV-LBPRGKRZSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172748933 974923120 /nfs/dbraw/zinc/92/31/20/974923120.db2.gz XVDMVQOKEBAHMI-NSHDSACASA-N 1 0 225.332 2.108 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000236524678 488067828 /nfs/dbraw/zinc/06/78/28/488067828.db2.gz WSEVLVYOBVVGOM-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(CCC)C1 ZINC000389339385 488090657 /nfs/dbraw/zinc/09/06/57/488090657.db2.gz IXEQSCCLCNFZJV-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCc2cccnc21 ZINC000320261051 488093936 /nfs/dbraw/zinc/09/39/36/488093936.db2.gz JXRVIAVOWVLCFI-ZIAGYGMSSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCc2cccnc21 ZINC000320261048 488094060 /nfs/dbraw/zinc/09/40/60/488094060.db2.gz JXRVIAVOWVLCFI-KBPBESRZSA-N 1 0 246.354 2.376 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(F)c(C#N)c1 ZINC000229749220 488095416 /nfs/dbraw/zinc/09/54/16/488095416.db2.gz XQZRLWQAGMCYKA-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]([NH2+]C(C)C)C[C@@H]1C ZINC001332026327 974926823 /nfs/dbraw/zinc/92/68/23/974926823.db2.gz JUXICTTZCAGGNY-STQMWFEESA-N 1 0 238.375 2.330 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000683028411 488100748 /nfs/dbraw/zinc/10/07/48/488100748.db2.gz UPTUYFDSTFAREN-HNNXBMFYSA-N 1 0 231.339 2.290 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]([NH2+]C(C)C)C[C@H]1C ZINC001332026323 974927612 /nfs/dbraw/zinc/92/76/12/974927612.db2.gz JUXICTTZCAGGNY-OLZOCXBDSA-N 1 0 238.375 2.330 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000677477196 488102666 /nfs/dbraw/zinc/10/26/66/488102666.db2.gz ACQSLOGCSZEHAL-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCOCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000679486530 487536388 /nfs/dbraw/zinc/53/63/88/487536388.db2.gz PWZGHIMHUJGLLO-UHFFFAOYSA-N 1 0 245.322 2.255 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680111208 487537033 /nfs/dbraw/zinc/53/70/33/487537033.db2.gz DDYNCYKOPHTKJK-VXGBXAGGSA-N 1 0 211.349 2.291 20 30 BEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CC(C)(C)S ZINC001172758062 974930111 /nfs/dbraw/zinc/93/01/11/974930111.db2.gz DZNDGSGIOSDCHB-SNVBAGLBSA-N 1 0 247.404 2.405 20 30 BEEDRO COCC#CC[NH+]1CCC(C(C)(C)C)CC1 ZINC000677816916 488129886 /nfs/dbraw/zinc/12/98/86/488129886.db2.gz DPTQMBROXCFSDQ-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO CC[C@H]1CCCCC[N@@H+]1CC#CCOC ZINC000677818227 488132701 /nfs/dbraw/zinc/13/27/01/488132701.db2.gz XDVMWUOMVXHXLT-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000658113611 487544739 /nfs/dbraw/zinc/54/47/39/487544739.db2.gz HTSDNXAUYVOJKM-CYBMUJFWSA-N 1 0 216.328 2.495 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000168609413 487530193 /nfs/dbraw/zinc/53/01/93/487530193.db2.gz QHTBPGBVIXQCQE-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[C@H]([NH+](C)C)CC1 ZINC000683228137 488134793 /nfs/dbraw/zinc/13/47/93/488134793.db2.gz VQIPNCOICGWPSI-KGLIPLIRSA-N 1 0 222.376 2.204 20 30 BEEDRO COCC#CC[NH+]1C2CCCC1CCC2 ZINC000677820653 488136739 /nfs/dbraw/zinc/13/67/39/488136739.db2.gz RWYRKZGGVJFZCJ-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000231798687 487475434 /nfs/dbraw/zinc/47/54/34/487475434.db2.gz XHMVPTOHXKFLPP-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000231801566 487475989 /nfs/dbraw/zinc/47/59/89/487475989.db2.gz CYNUQQWYEVFLHN-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCCO[C@@H](CC)C1 ZINC000685007389 487487438 /nfs/dbraw/zinc/48/74/38/487487438.db2.gz ONHNIAXWSKVDCN-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCn1ccnn1 ZINC000657971859 487495248 /nfs/dbraw/zinc/49/52/48/487495248.db2.gz SCPBGISBICEXMV-KBPBESRZSA-N 1 0 248.374 2.393 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000677817189 487505891 /nfs/dbraw/zinc/50/58/91/487505891.db2.gz IIFQVBNQXQCRBN-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@@H+]1CCCc2sccc2C1 ZINC000677817687 487507625 /nfs/dbraw/zinc/50/76/25/487507625.db2.gz OWSQKLGFNISPJQ-UHFFFAOYSA-N 1 0 235.352 2.146 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000677819210 487515537 /nfs/dbraw/zinc/51/55/37/487515537.db2.gz UQTGEORWGPBPSO-OAHLLOKOSA-N 1 0 245.322 2.179 20 30 BEEDRO COCC#CC[NH+]1CCC(C(C)C)CC1 ZINC000677820192 487518619 /nfs/dbraw/zinc/51/86/19/487518619.db2.gz JABSBSVRVDCIJP-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO COCC#CC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000680385269 487582013 /nfs/dbraw/zinc/58/20/13/487582013.db2.gz JBPFZGLHXXSXSE-INIZCTEOSA-N 1 0 243.350 2.247 20 30 BEEDRO C=CCOCC[NH2+]CC1Cc2ccccc2C1 ZINC000685843248 487586841 /nfs/dbraw/zinc/58/68/41/487586841.db2.gz ZBNQGHAWMPOAHM-UHFFFAOYSA-N 1 0 231.339 2.194 20 30 BEEDRO C=C[C@@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000157009352 487888522 /nfs/dbraw/zinc/88/85/22/487888522.db2.gz PMQMHGVDJHFOQT-DGCLKSJQSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667837047 488135763 /nfs/dbraw/zinc/13/57/63/488135763.db2.gz GMUOBYPZCUVQOG-SNPRPXQTSA-N 1 0 234.387 2.415 20 30 BEEDRO COCC#CC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000677820206 488137587 /nfs/dbraw/zinc/13/75/87/488137587.db2.gz JCVZSHXMIBWKMX-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1OCC(C)C ZINC000662165306 488141373 /nfs/dbraw/zinc/14/13/73/488141373.db2.gz AYWVNTOUHAWVAI-CQSZACIVSA-N 1 0 249.354 2.358 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)n1C ZINC000657862885 488154786 /nfs/dbraw/zinc/15/47/86/488154786.db2.gz RLICGFWUCAZJFD-STQMWFEESA-N 1 0 248.374 2.348 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)(C)O ZINC000657878652 488159539 /nfs/dbraw/zinc/15/95/39/488159539.db2.gz HMGXADZESXUHBX-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CCC12CCOCC2 ZINC000683527044 488187714 /nfs/dbraw/zinc/18/77/14/488187714.db2.gz IMVQYRQEQQZQDB-UHFFFAOYSA-N 1 0 241.334 2.293 20 30 BEEDRO C=C1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000678242010 488225472 /nfs/dbraw/zinc/22/54/72/488225472.db2.gz JNSKFJDYRGSQLY-UHFFFAOYSA-N 1 0 231.343 2.300 20 30 BEEDRO C=C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000684162275 488271296 /nfs/dbraw/zinc/27/12/96/488271296.db2.gz ADYNAFRFARABJX-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000678735831 488279545 /nfs/dbraw/zinc/27/95/45/488279545.db2.gz BQXCZKSOYOZLOW-RISCZKNCSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000678735830 488279792 /nfs/dbraw/zinc/27/97/92/488279792.db2.gz BQXCZKSOYOZLOW-FZMZJTMJSA-N 1 0 235.327 2.283 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000684628091 488335912 /nfs/dbraw/zinc/33/59/12/488335912.db2.gz LZTZLKYUQLXHRO-CYBMUJFWSA-N 1 0 223.360 2.394 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000684628093 488335579 /nfs/dbraw/zinc/33/55/79/488335579.db2.gz LZTZLKYUQLXHRO-ZDUSSCGKSA-N 1 0 223.360 2.394 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000684798190 488343212 /nfs/dbraw/zinc/34/32/12/488343212.db2.gz GKQNIHGFIHZWPN-ZFWWWQNUSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CCOCC[NH2+]Cc1c(F)cccc1F ZINC000303551936 490167433 /nfs/dbraw/zinc/16/74/33/490167433.db2.gz WGYQERSGZKNIOJ-UHFFFAOYSA-N 1 0 227.254 2.257 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000303550493 490167853 /nfs/dbraw/zinc/16/78/53/490167853.db2.gz KUSZWXRZWBQOSJ-SNVBAGLBSA-N 1 0 224.279 2.074 20 30 BEEDRO C=CCOCC[NH2+]C/C=C/c1ccccc1 ZINC000303552293 490168032 /nfs/dbraw/zinc/16/80/32/490168032.db2.gz YDZZQLKUBFJCMO-RMKNXTFCSA-N 1 0 217.312 2.492 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC12CCCC2 ZINC000649655596 490199214 /nfs/dbraw/zinc/19/92/14/490199214.db2.gz HVLRNWKKLWEXAR-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO COC1(CC[NH+]2CCC(F)(C#N)CC2)CCC1 ZINC000339186873 490256430 /nfs/dbraw/zinc/25/64/30/490256430.db2.gz WDYRNWGLFYMKKC-UHFFFAOYSA-N 1 0 240.322 2.273 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000335354186 490300434 /nfs/dbraw/zinc/30/04/34/490300434.db2.gz GRZAWUFQZAGWKB-CYBMUJFWSA-N 1 0 230.311 2.215 20 30 BEEDRO C=C(C)C[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000336757086 490347333 /nfs/dbraw/zinc/34/73/33/490347333.db2.gz HLYULULCGPMCPT-DGCLKSJQSA-N 1 0 225.332 2.274 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1cccnc1 ZINC000042226140 490382078 /nfs/dbraw/zinc/38/20/78/490382078.db2.gz PPEHBWSKCVGGGQ-LLVKDONJSA-N 1 0 203.289 2.426 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000135492255 490393729 /nfs/dbraw/zinc/39/37/29/490393729.db2.gz FQMPEWWQLRMNQA-PSASIEDQSA-N 1 0 206.314 2.365 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)COc1ccc(C)cc1 ZINC000305811997 490621446 /nfs/dbraw/zinc/62/14/46/490621446.db2.gz MSDPJJKPKADRQT-AWEZNQCLSA-N 1 0 249.354 2.243 20 30 BEEDRO COCC#CC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000677817740 490664764 /nfs/dbraw/zinc/66/47/64/490664764.db2.gz ATRQTBJQUXNJGE-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCc2ncn(C)n2)C1 ZINC000651843841 491076876 /nfs/dbraw/zinc/07/68/76/491076876.db2.gz RNIBXIKJPZJUHW-OLZOCXBDSA-N 1 0 248.374 2.082 20 30 BEEDRO COC(=O)[C@H]1CCC[C@H]([NH2+]CCCS)CC1 ZINC001172777330 974938707 /nfs/dbraw/zinc/93/87/07/974938707.db2.gz PPWDVDUKSMIDMY-QWRGUYRKSA-N 1 0 245.388 2.018 20 30 BEEDRO C=CCCCN(CC)C(=O)C[NH+](CC)CC ZINC000890814105 582572843 /nfs/dbraw/zinc/57/28/43/582572843.db2.gz VDEOPQIMDDQZJJ-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1ccccc1O ZINC000054182033 535726510 /nfs/dbraw/zinc/72/65/10/535726510.db2.gz YWFRMRQEXILMIY-NSHDSACASA-N 1 0 204.273 2.174 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CC[C@H](C#N)C1 ZINC000338943285 535769207 /nfs/dbraw/zinc/76/92/07/535769207.db2.gz KIOLKRQFTLYNMX-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cccc(OC)c1O ZINC000054182892 536057457 /nfs/dbraw/zinc/05/74/57/536057457.db2.gz VXHQCAUYVRLFNM-LLVKDONJSA-N 1 0 234.299 2.183 20 30 BEEDRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308571076 536126791 /nfs/dbraw/zinc/12/67/91/536126791.db2.gz BXZQBQJEINRXTB-HBNTYKKESA-N 1 0 212.362 2.410 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000186714885 534317437 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534372557 /nfs/dbraw/zinc/37/25/57/534372557.db2.gz ZZRHKGCMBRWZEN-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C#CC[N@H+](CC#CC)CC1CCC(OC)CC1 ZINC000892067897 582784235 /nfs/dbraw/zinc/78/42/35/582784235.db2.gz BYZJDNANECULHC-UHFFFAOYSA-N 1 0 233.355 2.150 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000351251421 534372019 /nfs/dbraw/zinc/37/20/19/534372019.db2.gz LNFWFPBDBPVGNN-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCn1ccnc1 ZINC000096034257 518710821 /nfs/dbraw/zinc/71/08/21/518710821.db2.gz OTSNDEWESKRGEQ-GFCCVEGCSA-N 1 0 207.321 2.218 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000358514327 534373644 /nfs/dbraw/zinc/37/36/44/534373644.db2.gz WAEBTLGDIVXFQD-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2cnccn12 ZINC000281551283 534378934 /nfs/dbraw/zinc/37/89/34/534378934.db2.gz ZXAJELHRYDNADG-NSHDSACASA-N 1 0 230.315 2.174 20 30 BEEDRO C=C(CC)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000358508059 534383510 /nfs/dbraw/zinc/38/35/10/534383510.db2.gz LMFISZSUZNDFON-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000334690303 534387338 /nfs/dbraw/zinc/38/73/38/534387338.db2.gz RYLPJKLGRVQRIL-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000358620494 534400433 /nfs/dbraw/zinc/40/04/33/534400433.db2.gz MLMBBGFEAWEZBW-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C(CC)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000336145837 534397165 /nfs/dbraw/zinc/39/71/65/534397165.db2.gz NNIOCPRWXNTLCI-VXGBXAGGSA-N 1 0 227.373 2.159 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(OCC)cc1 ZINC000341269990 534397639 /nfs/dbraw/zinc/39/76/39/534397639.db2.gz UUQSSEPQFGRRIK-AWEZNQCLSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000308988051 534400788 /nfs/dbraw/zinc/40/07/88/534400788.db2.gz KGZZWPULXVSUQQ-SDDRHHMPSA-N 1 0 211.349 2.195 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(OC)nc1 ZINC000085058497 534417480 /nfs/dbraw/zinc/41/74/80/534417480.db2.gz HRCCJCNWXKFAIC-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)NC[C@@H]([NH3+])CC ZINC000892143155 582800012 /nfs/dbraw/zinc/80/00/12/582800012.db2.gz CIGBJTZHCSEYDB-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000367459876 534437088 /nfs/dbraw/zinc/43/70/88/534437088.db2.gz WTPZHVIWYZPTHE-GHMZBOCLSA-N 1 0 215.724 2.382 20 30 BEEDRO CCCCCCCC(=O)N1CCC([NH3+])CC1 ZINC000059082144 519962052 /nfs/dbraw/zinc/96/20/52/519962052.db2.gz ONGGHRLXDBXONF-UHFFFAOYSA-N 1 0 226.364 2.297 20 30 BEEDRO C=C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000361831536 534464032 /nfs/dbraw/zinc/46/40/32/534464032.db2.gz WCTPNKULMQQUFF-UHFFFAOYSA-N 1 0 245.326 2.062 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000362613743 534499621 /nfs/dbraw/zinc/49/96/21/534499621.db2.gz LRYLHRHXWMGZTI-LLVKDONJSA-N 1 0 232.327 2.053 20 30 BEEDRO C=CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000336013708 534521295 /nfs/dbraw/zinc/52/12/95/534521295.db2.gz ZUFFXRKQCSRBFT-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CC1CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000336555059 534530393 /nfs/dbraw/zinc/53/03/93/534530393.db2.gz SIISCPMOPKXOCS-UHFFFAOYSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CC1CC[NH+](Cc2n[nH]cc2C)CC1 ZINC000336345571 534530731 /nfs/dbraw/zinc/53/07/31/534530731.db2.gz ULHXGSZEHCANGI-UHFFFAOYSA-N 1 0 205.305 2.116 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(OC)nc2C)CC1 ZINC000337198018 534529283 /nfs/dbraw/zinc/52/92/83/534529283.db2.gz XWBRLJIQJRUDEF-UHFFFAOYSA-N 1 0 247.342 2.192 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000340696362 534535081 /nfs/dbraw/zinc/53/50/81/534535081.db2.gz MLJKQIIJPGALFC-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000352454720 534537577 /nfs/dbraw/zinc/53/75/77/534537577.db2.gz UWORMFHKINCNCB-UFFNRZRYSA-N 1 0 239.265 2.115 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000339989168 534540078 /nfs/dbraw/zinc/54/00/78/534540078.db2.gz NMJNTLCGVCBSNL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C[NH2+]CC1(OC)CCOCC1 ZINC000339416304 534551679 /nfs/dbraw/zinc/55/16/79/534551679.db2.gz GZAFXOWRFJKSGC-UHFFFAOYSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1[nH]ncc1C ZINC000293009431 534553015 /nfs/dbraw/zinc/55/30/15/534553015.db2.gz PQCYTVQPIGYBJD-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C=CCC1(C(=O)NC[C@H](C)C[NH+](C)C)CCC1 ZINC000355741106 534587619 /nfs/dbraw/zinc/58/76/19/534587619.db2.gz LBMSQMYRJDZWPA-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376568852 534609875 /nfs/dbraw/zinc/60/98/75/534609875.db2.gz ITJWCIMQSOSBSD-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000102466787 534612473 /nfs/dbraw/zinc/61/24/73/534612473.db2.gz QTDLOTDMDLPSHH-UHFFFAOYSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCCC(=O)NCCC1CC[NH+](CC)CC1 ZINC000174137090 534614621 /nfs/dbraw/zinc/61/46/21/534614621.db2.gz LMKQZOWPUOOBFB-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000102466305 534616407 /nfs/dbraw/zinc/61/64/07/534616407.db2.gz VAQWFRHNVDWCMB-UHFFFAOYSA-N 1 0 246.354 2.331 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185832255 534628591 /nfs/dbraw/zinc/62/85/91/534628591.db2.gz ILUGNTMWBZNKCT-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCC1(C(=O)NCCCC[NH+](C)C)CC1 ZINC000356090075 534634614 /nfs/dbraw/zinc/63/46/14/534634614.db2.gz GUDAAJYLWBTLCJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000176081792 534653086 /nfs/dbraw/zinc/65/30/86/534653086.db2.gz DKMSJYAILULZHJ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000263055888 534663800 /nfs/dbraw/zinc/66/38/00/534663800.db2.gz LRCLGXDCTAUKLX-SMDDNHRTSA-N 1 0 249.333 2.327 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262353201 534661738 /nfs/dbraw/zinc/66/17/38/534661738.db2.gz BJWRUZFHGCYIFP-QMMMGPOBSA-N 1 0 233.306 2.125 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC1(C(F)(F)F)CC1 ZINC000262682534 534662170 /nfs/dbraw/zinc/66/21/70/534662170.db2.gz WWSROVBHDDQUMC-UHFFFAOYSA-N 1 0 237.269 2.032 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000261535975 534662557 /nfs/dbraw/zinc/66/25/57/534662557.db2.gz PXLDPHJDSCHVQW-SNVBAGLBSA-N 1 0 209.337 2.046 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000179212339 534663519 /nfs/dbraw/zinc/66/35/19/534663519.db2.gz VPPLZXVOSYWGJY-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371885354 534664311 /nfs/dbraw/zinc/66/43/11/534664311.db2.gz CXUCAFUYOYTAAK-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000263108483 534664391 /nfs/dbraw/zinc/66/43/91/534664391.db2.gz KVKPKWZOCYPAEC-CMPLNLGQSA-N 1 0 249.333 2.384 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCc1cc2ccccc2[nH]1 ZINC000104182026 534664466 /nfs/dbraw/zinc/66/44/66/534664466.db2.gz AYCAKCWJMFWDFC-UHFFFAOYSA-N 1 0 244.342 2.371 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000122379943 534666316 /nfs/dbraw/zinc/66/63/16/534666316.db2.gz YNKIUDDFIBQTLS-JTQLQIEISA-N 1 0 219.284 2.137 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348090719 534668805 /nfs/dbraw/zinc/66/88/05/534668805.db2.gz XRTIKLGOBVLCLO-NWDGAFQWSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C[C@H](CO)Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000357602615 534676146 /nfs/dbraw/zinc/67/61/46/534676146.db2.gz GUYOSKGKNGYNOL-LLVKDONJSA-N 1 0 246.285 2.063 20 30 BEEDRO C=CCCCCC[N@@H+](CCO)CC1CC1 ZINC000352491540 534676925 /nfs/dbraw/zinc/67/69/25/534676925.db2.gz QWKWKEZDXRLPBH-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCCCCSc1nc(N)cc(N)[nH+]1 ZINC000194359270 534679049 /nfs/dbraw/zinc/67/90/49/534679049.db2.gz WPTRGWIYFNDBOI-UHFFFAOYSA-N 1 0 238.360 2.480 20 30 BEEDRO C=CCCCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000354276051 534679490 /nfs/dbraw/zinc/67/94/90/534679490.db2.gz HMEMPDGOSYWFKQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000290004140 534683129 /nfs/dbraw/zinc/68/31/29/534683129.db2.gz ZHSIOFZOQQCKAR-WCQYABFASA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000289971415 534683462 /nfs/dbraw/zinc/68/34/62/534683462.db2.gz XLHKGTOOPBRRPV-JOYOIKCWSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000353563644 534685247 /nfs/dbraw/zinc/68/52/47/534685247.db2.gz GAECYTNSQIUHOI-PWSUYJOCSA-N 1 0 235.327 2.430 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)Cn1cccn1 ZINC000336760705 534694461 /nfs/dbraw/zinc/69/44/61/534694461.db2.gz MLQHZCVDGGQMCB-GFCCVEGCSA-N 1 0 207.321 2.218 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000309061514 534694885 /nfs/dbraw/zinc/69/48/85/534694885.db2.gz WXUHJFZRKBAXAS-CHWSQXEVSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnn(C)c1C ZINC000336605977 534696455 /nfs/dbraw/zinc/69/64/55/534696455.db2.gz NNOWLDXVAZSGBS-ZDUSSCGKSA-N 1 0 219.332 2.269 20 30 BEEDRO C=C[C@H](C)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000781573680 582859253 /nfs/dbraw/zinc/85/92/53/582859253.db2.gz JBLWRYRBPXJLFI-WDEREUQCSA-N 1 0 213.321 2.225 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc(C)nc1 ZINC000352011257 534709905 /nfs/dbraw/zinc/70/99/05/534709905.db2.gz AOOVZMLFBVGILX-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000352014322 534710937 /nfs/dbraw/zinc/71/09/37/534710937.db2.gz MTNCASOBPWMNLE-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCC[N@H+]1CC[C@](CO)(CCC)C1 ZINC000377553744 534720461 /nfs/dbraw/zinc/72/04/61/534720461.db2.gz JPDSHTHKJUWXEA-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000369555373 534722456 /nfs/dbraw/zinc/72/24/56/534722456.db2.gz BTMDFKQJWJWLDB-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000369555374 534721875 /nfs/dbraw/zinc/72/18/75/534721875.db2.gz BTMDFKQJWJWLDB-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000373401303 534722925 /nfs/dbraw/zinc/72/29/25/534722925.db2.gz WUYQVXUYHKSBOX-AAEUAGOBSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000282646150 534735011 /nfs/dbraw/zinc/73/50/11/534735011.db2.gz CCJJZICSRPXLLT-QWRGUYRKSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000308940452 534736765 /nfs/dbraw/zinc/73/67/65/534736765.db2.gz LXZLCGLLPZYZBF-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](C)[C@@H](CO)C1 ZINC000362091217 534758391 /nfs/dbraw/zinc/75/83/91/534758391.db2.gz SHANCRXLKJLZHA-RWMBFGLXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](CC)Cn1cncn1 ZINC000340538340 534761342 /nfs/dbraw/zinc/76/13/42/534761342.db2.gz VZQVWHLBVNUQHB-QWHCGFSZSA-N 1 0 236.363 2.391 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000342735554 534770758 /nfs/dbraw/zinc/77/07/58/534770758.db2.gz HYCNRJCADXVFOH-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccccc1OC ZINC000120858916 534776684 /nfs/dbraw/zinc/77/66/84/534776684.db2.gz HWZFUNGADFWZAO-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc(OC)c1 ZINC000120803490 534777098 /nfs/dbraw/zinc/77/70/98/534777098.db2.gz ICTXXJSNIFSOHK-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000231822393 534779848 /nfs/dbraw/zinc/77/98/48/534779848.db2.gz KOFYFJILIDZREJ-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccncc1F ZINC000338344570 534806256 /nfs/dbraw/zinc/80/62/56/534806256.db2.gz NSMVECIWQBUHLK-QWRGUYRKSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000132657610 534806317 /nfs/dbraw/zinc/80/63/17/534806317.db2.gz BFNGBQCBRFNRKR-NWDGAFQWSA-N 1 0 241.375 2.249 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000121520546 534816751 /nfs/dbraw/zinc/81/67/51/534816751.db2.gz LPHFPIYFGJXCAM-CYBMUJFWSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000121030128 534818451 /nfs/dbraw/zinc/81/84/51/534818451.db2.gz BHDZJBMKJUBWGO-RYUDHWBXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](C)c1ccc(F)cc1 ZINC000264085434 534843687 /nfs/dbraw/zinc/84/36/87/534843687.db2.gz JGJLYBBQEKFROG-JTQLQIEISA-N 1 0 235.306 2.020 20 30 BEEDRO C=CCNC(=[NH2+])NCC1CCCCCCC1 ZINC000261942067 534845117 /nfs/dbraw/zinc/84/51/17/534845117.db2.gz DSKFQRDWPOLQSB-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](C(C)C)C2CCC2)C1=O ZINC000337189950 534851031 /nfs/dbraw/zinc/85/10/31/534851031.db2.gz SAIQZGTXMYLDKC-CYBMUJFWSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)c1ccsc1 ZINC000296723373 534859122 /nfs/dbraw/zinc/85/91/22/534859122.db2.gz ISAQUJVJTJRGDE-LLVKDONJSA-N 1 0 238.356 2.091 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000348098185 534874057 /nfs/dbraw/zinc/87/40/57/534874057.db2.gz FAKPPVKVZWFLOT-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000347968225 534874843 /nfs/dbraw/zinc/87/48/43/534874843.db2.gz QCEQMCNKBNQPOU-ZDUSSCGKSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCC[NH+]1CCC(OCC(C)C)CC1 ZINC000338920284 534878152 /nfs/dbraw/zinc/87/81/52/534878152.db2.gz LCMZLVGZUDLVLP-UHFFFAOYSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000116927090 534887342 /nfs/dbraw/zinc/88/73/42/534887342.db2.gz FXMIBSAZVVMSDG-SNVBAGLBSA-N 1 0 221.300 2.455 20 30 BEEDRO COC(=O)CC1([NH2+]CCCCC#N)CCCC1 ZINC000338333335 536441821 /nfs/dbraw/zinc/44/18/21/536441821.db2.gz JKBHSKQALIRPTJ-UHFFFAOYSA-N 1 0 238.331 2.146 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc(C)nc1 ZINC000505852898 526546915 /nfs/dbraw/zinc/54/69/15/526546915.db2.gz BYWVNSAFLPOJBO-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C=C(C)C[N@H+]1CCCC[C@H]1COC(=O)NCC ZINC000495679623 526606580 /nfs/dbraw/zinc/60/65/80/526606580.db2.gz LVSNFZDPDLCUBV-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OCC)C1 ZINC000495540644 526677845 /nfs/dbraw/zinc/67/78/45/526677845.db2.gz KISHMKPJHUVZPR-VXGBXAGGSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(CC)C[N@H+](CC)C[C@@H](O)C(F)(F)F ZINC000494225114 526851491 /nfs/dbraw/zinc/85/14/91/526851491.db2.gz XWRYUQNWLIHXIZ-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCC(C)(C)C#N ZINC000490763357 526864973 /nfs/dbraw/zinc/86/49/73/526864973.db2.gz QCMIDVXIVNPKQD-UHFFFAOYSA-N 1 0 216.328 2.275 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(OC)c(OC)cc1C ZINC000490877348 526897074 /nfs/dbraw/zinc/89/70/74/526897074.db2.gz XPSMPYMIUBXTAG-UHFFFAOYSA-N 1 0 247.338 2.467 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000471804447 526902591 /nfs/dbraw/zinc/90/25/91/526902591.db2.gz MRTXXTTYRRYKMA-GXTWGEPZSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CCN1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000306391778 526954000 /nfs/dbraw/zinc/95/40/00/526954000.db2.gz GCFWIRLSFCTWCL-OAHLLOKOSA-N 1 0 242.366 2.074 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000467403034 527033566 /nfs/dbraw/zinc/03/35/66/527033566.db2.gz GQKNTZRVNGOYMU-UPJWGTAASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCC(=O)NC1CCC([NH+](C)C)CC1 ZINC000421681276 527105695 /nfs/dbraw/zinc/10/56/95/527105695.db2.gz WQBIFZLOVFRQLP-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCCC[N@@H+](CC)Cc1cn(C)nn1 ZINC000488309811 527131114 /nfs/dbraw/zinc/13/11/14/527131114.db2.gz GDZFCFKFGZDXBO-UHFFFAOYSA-N 1 0 236.363 2.383 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000488205601 527132208 /nfs/dbraw/zinc/13/22/08/527132208.db2.gz YUIWKXXUZVPHKJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000487913462 527132435 /nfs/dbraw/zinc/13/24/35/527132435.db2.gz JQHKFEKIODFDNK-ZDUSSCGKSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCCCCC[N@@H+]1CCn2ccnc2C1 ZINC000487907965 527134918 /nfs/dbraw/zinc/13/49/18/527134918.db2.gz JEGPPDZGGYWERH-UHFFFAOYSA-N 1 0 219.332 2.445 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC)c1ccc(Cl)cc1 ZINC000491814111 527260316 /nfs/dbraw/zinc/26/03/16/527260316.db2.gz CKTRGVNXOGFCIJ-LLVKDONJSA-N 1 0 235.718 2.148 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000403978267 527291672 /nfs/dbraw/zinc/29/16/72/527291672.db2.gz FAIFZHBIVUHSBX-CQSZACIVSA-N 1 0 230.286 2.445 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000309010868 527294580 /nfs/dbraw/zinc/29/45/80/527294580.db2.gz RUDSUSHSPMTKFD-DGCLKSJQSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)COC(C)C)C(C)(C)C ZINC000308854772 527294787 /nfs/dbraw/zinc/29/47/87/527294787.db2.gz PNWKCQIOBVHAPP-VXGBXAGGSA-N 1 0 211.349 2.437 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(C)C ZINC000301010582 527294983 /nfs/dbraw/zinc/29/49/83/527294983.db2.gz YTDPMXWRURKIAX-QWHCGFSZSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000492349037 527327330 /nfs/dbraw/zinc/32/73/30/527327330.db2.gz GUUJYSSWQLRAEC-NSHDSACASA-N 1 0 240.347 2.019 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@H]1CCO[C@@H](CC)C1 ZINC000491546716 527332826 /nfs/dbraw/zinc/33/28/26/527332826.db2.gz WZAJGXWNACEAMA-AVGNSLFASA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCC1CCOCC1 ZINC000491660343 527332979 /nfs/dbraw/zinc/33/29/79/527332979.db2.gz YGCVDYSADGCRNV-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000491743803 527333280 /nfs/dbraw/zinc/33/32/80/527333280.db2.gz WVBHEWTUNHEEQR-GWCFXTLKSA-N 1 0 237.730 2.327 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000300397626 527363031 /nfs/dbraw/zinc/36/30/31/527363031.db2.gz CUMHTLGJQBQNKF-UPJWGTAASA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(C)(C)C ZINC000308919898 527413560 /nfs/dbraw/zinc/41/35/60/527413560.db2.gz BYVURPGCMSKZKK-SRVKXCTJSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000308817230 527414227 /nfs/dbraw/zinc/41/42/27/527414227.db2.gz AWKIMOAZWUTMRB-WOPDTQHZSA-N 1 0 204.317 2.316 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)C[C@@H]1CC ZINC000472576959 527493817 /nfs/dbraw/zinc/49/38/17/527493817.db2.gz IYPIBSQWZTXRNX-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495497039 527572786 /nfs/dbraw/zinc/57/27/86/527572786.db2.gz INYLBELGCKHLIX-UHFFFAOYSA-N 1 0 242.363 2.408 20 30 BEEDRO C=CC[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496066760 527572936 /nfs/dbraw/zinc/57/29/36/527572936.db2.gz ZYQZJLMTBUEMLW-UHFFFAOYSA-N 1 0 240.347 2.160 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC(C)(CC)CC1 ZINC000336759670 527592949 /nfs/dbraw/zinc/59/29/49/527592949.db2.gz KZGGTFWPHCCUTF-PNESKVBLSA-N 1 0 211.349 2.482 20 30 BEEDRO CCOC1CC([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404040627 528512728 /nfs/dbraw/zinc/51/27/28/528512728.db2.gz AYDRASAXSRRBDG-UHFFFAOYSA-N 1 0 248.301 2.354 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CCSC1 ZINC000495176021 528634891 /nfs/dbraw/zinc/63/48/91/528634891.db2.gz WFAGRLIUVHAXNN-QWRGUYRKSA-N 1 0 212.362 2.221 20 30 BEEDRO CCCCCCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000370556701 534985447 /nfs/dbraw/zinc/98/54/47/534985447.db2.gz IEOUKYBCISHGMS-GFCCVEGCSA-N 1 0 240.347 2.093 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000295347820 534994341 /nfs/dbraw/zinc/99/43/41/534994341.db2.gz YJFQGJGDNNVYER-AWEZNQCLSA-N 1 0 229.323 2.195 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000376134225 534995767 /nfs/dbraw/zinc/99/57/67/534995767.db2.gz PNOHCVUZFZVFCR-GFCCVEGCSA-N 1 0 236.359 2.285 20 30 BEEDRO CC(C)(CCC#N)CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000371418705 534996051 /nfs/dbraw/zinc/99/60/51/534996051.db2.gz FESDIJQNALJZSI-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCOCC2(CC2)C1 ZINC000341564043 534998369 /nfs/dbraw/zinc/99/83/69/534998369.db2.gz MMTCUVQCSMJYHF-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000353576060 535018135 /nfs/dbraw/zinc/01/81/35/535018135.db2.gz MREPTWJNWPDLHM-MGPQQGTHSA-N 1 0 237.391 2.387 20 30 BEEDRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC000339005710 535043442 /nfs/dbraw/zinc/04/34/42/535043442.db2.gz WAQLFPTYZUBTKF-KKOKHZNYSA-N 1 0 204.317 2.266 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]2CCO[C@@H]21 ZINC000185842766 535078013 /nfs/dbraw/zinc/07/80/13/535078013.db2.gz OXGLOPNCMZBJIH-VJTDZRGJSA-N 1 0 248.370 2.472 20 30 BEEDRO CCCCNC(=[NH2+])NCc1sccc1C ZINC000264104522 535262381 /nfs/dbraw/zinc/26/23/81/535262381.db2.gz NLLPCTGZNCSLCX-UHFFFAOYSA-N 1 0 225.361 2.261 20 30 BEEDRO CC1(C#N)CC[NH+](CCc2ccccn2)CC1 ZINC000227352970 535275671 /nfs/dbraw/zinc/27/56/71/535275671.db2.gz LFNQRVZLVFRYCS-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263086946 535290940 /nfs/dbraw/zinc/29/09/40/535290940.db2.gz IMBXKDHTCLRHNV-MFKMUULPSA-N 1 0 232.331 2.243 20 30 BEEDRO CC1(C)CCC[NH2+][C@H]1CNc1cccc(C#N)n1 ZINC000232990118 535299127 /nfs/dbraw/zinc/29/91/27/535299127.db2.gz NCAPJIQNHVLXKT-LBPRGKRZSA-N 1 0 244.342 2.143 20 30 BEEDRO CC(C)[C@@]1(CO)CCC[N@H+](CCCC#N)C1 ZINC000339699243 535318627 /nfs/dbraw/zinc/31/86/27/535318627.db2.gz DKWUQFPQXALLQT-ZDUSSCGKSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)OCCC[N@H+](C)CCCCC#N ZINC000354224243 535324423 /nfs/dbraw/zinc/32/44/23/535324423.db2.gz QRIPZSDJKFOUDK-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCc1cccc(F)c1 ZINC000264141345 535384974 /nfs/dbraw/zinc/38/49/74/535384974.db2.gz WNQJWDJCTPCUEG-UHFFFAOYSA-N 1 0 237.322 2.276 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(Cl)cc1 ZINC000264090254 535389619 /nfs/dbraw/zinc/38/96/19/535389619.db2.gz KROLLBAKJICBKG-UHFFFAOYSA-N 1 0 239.750 2.497 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1cccc(C)c1 ZINC000264087330 535389632 /nfs/dbraw/zinc/38/96/32/535389632.db2.gz KFRIFAGWDOBCIE-UHFFFAOYSA-N 1 0 219.332 2.152 20 30 BEEDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000338302349 535439981 /nfs/dbraw/zinc/43/99/81/535439981.db2.gz RKCQPLWCKDMFTL-QWRGUYRKSA-N 1 0 240.347 2.104 20 30 BEEDRO CCOc1ccc(CNC(=[NH2+])N(CC)CC)cc1 ZINC000264152242 535712066 /nfs/dbraw/zinc/71/20/66/535712066.db2.gz ZPVNNTXVRCTCQA-UHFFFAOYSA-N 1 0 249.358 2.242 20 30 BEEDRO CCOc1ccc(CNC(=[NH2+])N[C@H](C)CC)cc1 ZINC000264103925 535712147 /nfs/dbraw/zinc/71/21/47/535712147.db2.gz NFRGJMNVDRFMFY-LLVKDONJSA-N 1 0 249.358 2.288 20 30 BEEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000361588705 535766180 /nfs/dbraw/zinc/76/61/80/535766180.db2.gz NDIGVYSHNSESJB-HNNXBMFYSA-N 1 0 247.313 2.288 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC000361589652 535766445 /nfs/dbraw/zinc/76/64/45/535766445.db2.gz QLGQFUWJYMFRSS-OAHLLOKOSA-N 1 0 229.323 2.149 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164560024 535895818 /nfs/dbraw/zinc/89/58/18/535895818.db2.gz HULJFPNAXJAMCC-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccc(OC)cc1 ZINC000262846608 535903363 /nfs/dbraw/zinc/90/33/63/535903363.db2.gz VWHMOTBYRSRQHN-BXKDBHETSA-N 1 0 233.315 2.220 20 30 BEEDRO CCn1cc(C[NH2+]CC(C)(C)CCC#N)cn1 ZINC000266154145 536070805 /nfs/dbraw/zinc/07/08/05/536070805.db2.gz LHIOCANSIDMMSO-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO CCc1cnccc1[C@H](C)[NH2+]CCOCCC#N ZINC000339081942 536105281 /nfs/dbraw/zinc/10/52/81/536105281.db2.gz OJGDEHPVVCGLHJ-LBPRGKRZSA-N 1 0 247.342 2.225 20 30 BEEDRO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308571075 536126735 /nfs/dbraw/zinc/12/67/35/536126735.db2.gz BXZQBQJEINRXTB-GMTAPVOTSA-N 1 0 212.362 2.410 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@H](O)Cc1ccccc1 ZINC000293504101 536328722 /nfs/dbraw/zinc/32/87/22/536328722.db2.gz ZXORQDCEGVWOEL-OAHLLOKOSA-N 1 0 246.354 2.216 20 30 BEEDRO CN(CCC[NH+]1CCCC1)CCC(C)(C)C#N ZINC000337204596 536346377 /nfs/dbraw/zinc/34/63/77/536346377.db2.gz HZGSBKJWMRGZPA-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO CN(CCC#N)c1ccc(C[N@H+](C)CCF)cc1 ZINC000293771648 536364658 /nfs/dbraw/zinc/36/46/58/536364658.db2.gz YPBBIWQWIYNCRM-UHFFFAOYSA-N 1 0 249.333 2.438 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(C#N)cc2F)CCC1 ZINC000227325324 536681419 /nfs/dbraw/zinc/68/14/19/536681419.db2.gz IOSQSCNWJDTHOQ-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO COc1cc(CNC(=[NH2+])NC(C)(C)C)ccc1C ZINC000264108551 536710405 /nfs/dbraw/zinc/71/04/05/536710405.db2.gz QDSKJZNHWJFTQB-UHFFFAOYSA-N 1 0 249.358 2.206 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339095668 536743016 /nfs/dbraw/zinc/74/30/16/536743016.db2.gz FEQZVYVWWQTCCJ-BFHYXJOUSA-N 1 0 236.359 2.427 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000338994123 536760474 /nfs/dbraw/zinc/76/04/74/536760474.db2.gz FPPCXNQEFBGYKT-JHJVBQTASA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000227829700 536797222 /nfs/dbraw/zinc/79/72/22/536797222.db2.gz JTKFGJWYZNGXMC-VXGBXAGGSA-N 1 0 234.299 2.054 20 30 BEEDRO COCC1(C#N)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000342002230 536801057 /nfs/dbraw/zinc/80/10/57/536801057.db2.gz WUSXLYQUIXFVPH-CYBMUJFWSA-N 1 0 234.343 2.347 20 30 BEEDRO COc1cccc(C[C@@H](C)[NH2+]CCCCC#N)n1 ZINC000341180998 537113887 /nfs/dbraw/zinc/11/38/87/537113887.db2.gz FHSSSGHJFRISJP-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001172927788 974976166 /nfs/dbraw/zinc/97/61/66/974976166.db2.gz GQGPEHJGGJLCFD-NWDGAFQWSA-N 1 0 234.299 2.198 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CC1CC1 ZINC000309203802 566339225 /nfs/dbraw/zinc/33/92/25/566339225.db2.gz RTPUDMLECINZES-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO COC1CCC(C[NH2+]CCCCC#N)CC1 ZINC000892930071 583010907 /nfs/dbraw/zinc/01/09/07/583010907.db2.gz QATGZHTWQGDIBD-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO CCCCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000104152078 583105394 /nfs/dbraw/zinc/10/53/94/583105394.db2.gz IPBCTYHGWRTRQW-LLVKDONJSA-N 1 0 211.353 2.223 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853104452 588720500 /nfs/dbraw/zinc/72/05/00/588720500.db2.gz UBLZONSTZOCJJI-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccnn2CC)cc1 ZINC000853094416 588719425 /nfs/dbraw/zinc/71/94/25/588719425.db2.gz XGVIPCHQZUJJJA-UHFFFAOYSA-N 1 0 239.322 2.174 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853103055 588720294 /nfs/dbraw/zinc/72/02/94/588720294.db2.gz MAEQWUHRSLUNNA-TZMCWYRMSA-N 1 0 234.343 2.449 20 30 BEEDRO C#Cc1cccnc1NCC[N@@H+](C)[C@@H](C)CC ZINC000853257093 588729910 /nfs/dbraw/zinc/72/99/10/588729910.db2.gz LKFXLGFHEUNFBX-LBPRGKRZSA-N 1 0 231.343 2.205 20 30 BEEDRO C#Cc1cccnc1NCC[N@H+]1CCCC[C@@H]1C ZINC000853162067 588723178 /nfs/dbraw/zinc/72/31/78/588723178.db2.gz MTUIFSTYHVWPQV-ZDUSSCGKSA-N 1 0 243.354 2.349 20 30 BEEDRO C#Cc1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000853183420 588723926 /nfs/dbraw/zinc/72/39/26/588723926.db2.gz IBQCLWGTTKXDFK-ZIAGYGMSSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1cccnc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000853234543 588728113 /nfs/dbraw/zinc/72/81/13/588728113.db2.gz FJXIDDSKSUYNTD-CYBMUJFWSA-N 1 0 243.354 2.205 20 30 BEEDRO CC[C@@H]1CCCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000853329563 588733369 /nfs/dbraw/zinc/73/33/69/588733369.db2.gz BTTJZJAQBBLCCA-GHMZBOCLSA-N 1 0 236.363 2.270 20 30 BEEDRO CC(C)c1nccnc1N=NC(C)c1c[nH]cn1 ZINC000853340653 588735271 /nfs/dbraw/zinc/73/52/71/588735271.db2.gz DSOLWNDFICFJDI-UHFFFAOYSA-N 1 0 244.302 2.159 20 30 BEEDRO C[C@@H]1CCCCN1N=C1CC[N@@H+]2CCC[C@@H]12 ZINC000853380380 588738979 /nfs/dbraw/zinc/73/89/79/588738979.db2.gz TUCDAXCAMWHWAV-YPMHNXCESA-N 1 0 221.348 2.085 20 30 BEEDRO C[C@H]1CCCCN1N=C1CC[N@@H+]2CCC[C@H]12 ZINC000853380378 588739361 /nfs/dbraw/zinc/73/93/61/588739361.db2.gz TUCDAXCAMWHWAV-WCQYABFASA-N 1 0 221.348 2.085 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccnc(Cl)c1 ZINC000853395114 588740618 /nfs/dbraw/zinc/74/06/18/588740618.db2.gz LKTYDZQXYICPHM-MRVPVSSYSA-N 1 0 238.722 2.084 20 30 BEEDRO C#C[C@@H](C)N(C)Cn1ncc(Cl)c1C1CC1 ZINC000853509324 588746857 /nfs/dbraw/zinc/74/68/57/588746857.db2.gz SMHSDDGWRBGGTP-SECBINFHSA-N 1 0 237.734 2.325 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@@H](CC)CC1=O ZINC000853598160 588750251 /nfs/dbraw/zinc/75/02/51/588750251.db2.gz MOZHAMHIRXGTHY-MELADBBJSA-N 1 0 248.370 2.385 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)CC12CCC2 ZINC000853598768 588750326 /nfs/dbraw/zinc/75/03/26/588750326.db2.gz WMRNADJIIIUYHK-BETUJISGSA-N 1 0 246.354 2.282 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000890547821 582470738 /nfs/dbraw/zinc/47/07/38/582470738.db2.gz FKVLJAVNTBXVBL-MCIONIFRSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C[C@H](C)n1ccnc1 ZINC000890551233 582471386 /nfs/dbraw/zinc/47/13/86/582471386.db2.gz YNFBONMNWDZHNP-RYUDHWBXSA-N 1 0 233.315 2.011 20 30 BEEDRO C=C(C)CNN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000811651380 582481725 /nfs/dbraw/zinc/48/17/25/582481725.db2.gz USOZCKIHBUTPBT-GFCCVEGCSA-N 1 0 209.337 2.012 20 30 BEEDRO CC[N@@H+]1CCC(=NOCCOC(C)C)[C@H](C)C1 ZINC000812238412 582498669 /nfs/dbraw/zinc/49/86/69/582498669.db2.gz UFLKUKGKYZKYIG-GFCCVEGCSA-N 1 0 242.363 2.146 20 30 BEEDRO C=C[C@@H](C)ON=C1CC[N@@H+](CC)C[C@@H]1C ZINC000844621453 582603360 /nfs/dbraw/zinc/60/33/60/582603360.db2.gz HIQMRRRXXSCVLD-WDEREUQCSA-N 1 0 210.321 2.295 20 30 BEEDRO C=CCCNC(=O)C[N@@H+](C)CCCCCC ZINC000855381861 588830083 /nfs/dbraw/zinc/83/00/83/588830083.db2.gz HREQMISEZIQFLY-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000891195397 582623711 /nfs/dbraw/zinc/62/37/11/582623711.db2.gz VBFFBYRAVUZYLZ-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1cc(C#N)ccc1N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000846755871 582665186 /nfs/dbraw/zinc/66/51/86/582665186.db2.gz USSLYVMSXFDKCV-QWHCGFSZSA-N 1 0 243.354 2.396 20 30 BEEDRO C[C@@H]1CN(Cc2csc(C#N)c2)[C@H](C)CO1 ZINC000891669863 582708187 /nfs/dbraw/zinc/70/81/87/582708187.db2.gz FVFPQXWALHVOQT-NXEZZACHSA-N 1 0 236.340 2.229 20 30 BEEDRO C[C@@H]1CN(Cc2csc(C#N)c2)[C@@H](C)CO1 ZINC000891669865 582708837 /nfs/dbraw/zinc/70/88/37/582708837.db2.gz FVFPQXWALHVOQT-VHSXEESVSA-N 1 0 236.340 2.229 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@H]1C[C@]1(C)Br ZINC000891716067 582713191 /nfs/dbraw/zinc/71/31/91/582713191.db2.gz KSQZROZZMCYSEK-BBBLOLIVSA-N 1 0 245.164 2.251 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cnn(C2CCC2)c1 ZINC000891716288 582713303 /nfs/dbraw/zinc/71/33/03/582713303.db2.gz NLMUFEPAEWMYII-NSHDSACASA-N 1 0 232.331 2.200 20 30 BEEDRO CC(=NNc1ccncc1)c1cccc(C#N)c1 ZINC000779808735 582737915 /nfs/dbraw/zinc/73/79/15/582737915.db2.gz GUOYAIBDOMLOEO-UHFFFAOYSA-N 1 0 236.278 2.211 20 30 BEEDRO C=C(C)CCNC(=O)N(C)CCCCCC[NH3+] ZINC000891936233 582740912 /nfs/dbraw/zinc/74/09/12/582740912.db2.gz MXXMAKCSDAWVKZ-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO C[NH+](C)C[C@H]1CCN(Cc2csc(C#N)c2)C1 ZINC000892033258 582767540 /nfs/dbraw/zinc/76/75/40/582767540.db2.gz DHVUKUOGNQYNIS-LLVKDONJSA-N 1 0 249.383 2.003 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000220767822 582816102 /nfs/dbraw/zinc/81/61/02/582816102.db2.gz MSLVLPUXIDWGRV-LLVKDONJSA-N 1 0 248.301 2.214 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028865 582832525 /nfs/dbraw/zinc/83/25/25/582832525.db2.gz JIAHFENZODFQDS-JTQLQIEISA-N 1 0 224.352 2.229 20 30 BEEDRO CCNC(NC[C@@H]1CCC[C@@H]1CC)=[NH+]CC ZINC000849035731 582837127 /nfs/dbraw/zinc/83/71/27/582837127.db2.gz HGEYIPBBXZZEOG-RYUDHWBXSA-N 1 0 225.380 2.388 20 30 BEEDRO CCNC(NC[C@@H]1CCC[C@H]1CC)=[NH+]CC ZINC000849035730 582837089 /nfs/dbraw/zinc/83/70/89/582837089.db2.gz HGEYIPBBXZZEOG-NEPJUHHUSA-N 1 0 225.380 2.388 20 30 BEEDRO CN(C)C(=[NH+]CC[C@@]1(C)C[C@]1(F)Cl)N(C)C ZINC000849047865 582840919 /nfs/dbraw/zinc/84/09/19/582840919.db2.gz YEFMLZINXSYKHU-WDEREUQCSA-N 1 0 249.761 2.170 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000892346212 582863917 /nfs/dbraw/zinc/86/39/17/582863917.db2.gz XKBOILUFGIEHOD-CYBMUJFWSA-N 1 0 244.342 2.014 20 30 BEEDRO CCCCCCCc1nc(CC[NH3+])no1 ZINC000104361313 582946309 /nfs/dbraw/zinc/94/63/09/582946309.db2.gz XBMHPGZASLOSNU-UHFFFAOYSA-N 1 0 211.309 2.084 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@@H]1c1cccn1C ZINC000851797745 582968311 /nfs/dbraw/zinc/96/83/11/582968311.db2.gz GYUKZCKICGNDES-OAHLLOKOSA-N 1 0 246.354 2.202 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000851808378 582968876 /nfs/dbraw/zinc/96/88/76/582968876.db2.gz MVIJNIQQSNGBLQ-INIZCTEOSA-N 1 0 243.350 2.300 20 30 BEEDRO CC(C)c1nnc(C[NH2+]CCCCC#N)s1 ZINC000892929705 583011572 /nfs/dbraw/zinc/01/15/72/583011572.db2.gz KCRIDSMQSAWNDH-UHFFFAOYSA-N 1 0 238.360 2.445 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000892950547 583016831 /nfs/dbraw/zinc/01/68/31/583016831.db2.gz NPULXSPKDGVSBI-SNVBAGLBSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OC)cn1 ZINC000892949699 583017078 /nfs/dbraw/zinc/01/70/78/583017078.db2.gz BZHOBHROHDKOOC-SNVBAGLBSA-N 1 0 206.289 2.144 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(OCCOC)o1 ZINC000892951673 583017470 /nfs/dbraw/zinc/01/74/70/583017470.db2.gz VGLWWEWIBDZTNO-LLVKDONJSA-N 1 0 239.315 2.359 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000893111660 583051037 /nfs/dbraw/zinc/05/10/37/583051037.db2.gz AHKGOBWKVCFJBE-XHNCKOQMSA-N 1 0 218.138 2.324 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000893111659 583051066 /nfs/dbraw/zinc/05/10/66/583051066.db2.gz AHKGOBWKVCFJBE-DJLDLDEBSA-N 1 0 218.138 2.324 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000856757163 588876018 /nfs/dbraw/zinc/87/60/18/588876018.db2.gz WDICDLNJNDEKKL-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C=CCCCCNc1nc(N)cc(C)[nH+]1 ZINC000893230869 583075910 /nfs/dbraw/zinc/07/59/10/583075910.db2.gz PJTJJSSUCXKRBU-UHFFFAOYSA-N 1 0 206.293 2.135 20 30 BEEDRO CCCCCCCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000114576372 588876077 /nfs/dbraw/zinc/87/60/77/588876077.db2.gz BPEUOJVUUDAWKH-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO COC1CCC(C[NH2+]CCCC#N)CC1 ZINC000893515333 583155738 /nfs/dbraw/zinc/15/57/38/583155738.db2.gz SDYPTJAXXWJRRS-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO COCCCC1(C[NH2+]CCCC#N)CCC1 ZINC000893513146 583155828 /nfs/dbraw/zinc/15/58/28/583155828.db2.gz ADUNSBBZKNVKPO-UHFFFAOYSA-N 1 0 224.348 2.477 20 30 BEEDRO C[C@H](C#N)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000893544192 583160142 /nfs/dbraw/zinc/16/01/42/583160142.db2.gz KAILBNGFLZJGBM-SECBINFHSA-N 1 0 224.254 2.257 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H]1CCc2ccccc21 ZINC000893569046 583165501 /nfs/dbraw/zinc/16/55/01/583165501.db2.gz YHOKFSDMGUTIOO-KGLIPLIRSA-N 1 0 231.339 2.243 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)cc1 ZINC000840980267 583214830 /nfs/dbraw/zinc/21/48/30/583214830.db2.gz WOYOKHFCTXPOES-CVEARBPZSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000840980276 583214914 /nfs/dbraw/zinc/21/49/14/583214914.db2.gz WOYOKHFCTXPOES-JKSUJKDBSA-N 1 0 243.350 2.309 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc2c1OCC2 ZINC000893994013 583268145 /nfs/dbraw/zinc/26/81/45/583268145.db2.gz YXNUXVAIEGJPEK-UHFFFAOYSA-N 1 0 247.338 2.256 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc2c1OCC2 ZINC000894060549 583292833 /nfs/dbraw/zinc/29/28/33/583292833.db2.gz UWLKDPAYMWLWND-NSHDSACASA-N 1 0 215.296 2.075 20 30 BEEDRO N#CCC[NH2+][C@H]1CCC[C@H](C2CCOCC2)C1 ZINC000894084797 583295086 /nfs/dbraw/zinc/29/50/86/583295086.db2.gz VZKGXXAPSLWRBL-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000877512875 583320331 /nfs/dbraw/zinc/32/03/31/583320331.db2.gz FAXKDFXOVHPLEF-UONOGXRCSA-N 1 0 228.339 2.330 20 30 BEEDRO Cn1ncc(C[NH2+]CC2(CC#N)CC2)c1C1CC1 ZINC000894198284 583337927 /nfs/dbraw/zinc/33/79/27/583337927.db2.gz YEBBFHYUAPKUFK-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)C1CCOCC1 ZINC000877636688 583340644 /nfs/dbraw/zinc/34/06/44/583340644.db2.gz APWOPTJHYGZICX-WCQGTBRESA-N 1 0 243.297 2.048 20 30 BEEDRO N#Cc1csc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000877718350 583345097 /nfs/dbraw/zinc/34/50/97/583345097.db2.gz ISPKVJVBUXNJIS-PHIMTYICSA-N 1 0 245.351 2.413 20 30 BEEDRO C=CC[C@H](C)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000877989493 583355353 /nfs/dbraw/zinc/35/53/53/583355353.db2.gz VKPSQKHOJPGYIB-NSHDSACASA-N 1 0 232.327 2.182 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000878058943 583359726 /nfs/dbraw/zinc/35/97/26/583359726.db2.gz DVVVRRLAZWUBHA-QWHCGFSZSA-N 1 0 219.332 2.485 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)OCC)C(C)C ZINC000726596652 583361878 /nfs/dbraw/zinc/36/18/78/583361878.db2.gz QLWBPFVGIVQJTB-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO N#CCCN1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878313334 583368328 /nfs/dbraw/zinc/36/83/28/583368328.db2.gz XWWUXMVVALVOAT-UHFFFAOYSA-N 1 0 247.386 2.098 20 30 BEEDRO CC[NH+](CC)CCOC(=O)c1ccc(C#N)cc1 ZINC000206328481 583408983 /nfs/dbraw/zinc/40/89/83/583408983.db2.gz LRDMULMGSJPPAM-UHFFFAOYSA-N 1 0 246.310 2.057 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc(F)c(C)c1 ZINC000894386809 583443273 /nfs/dbraw/zinc/44/32/73/583443273.db2.gz FOLVUBDSTUZCNU-NSHDSACASA-N 1 0 206.264 2.031 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccnn1C1CCC1 ZINC000894386952 583443515 /nfs/dbraw/zinc/44/35/15/583443515.db2.gz GHYACXOKYMBVNT-LLVKDONJSA-N 1 0 217.316 2.110 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(C)C ZINC000894387194 583444293 /nfs/dbraw/zinc/44/42/93/583444293.db2.gz KSVFJJPKVFOSIC-RJZJGCCBSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000894387903 583444652 /nfs/dbraw/zinc/44/46/52/583444652.db2.gz XSIUMDRHTCZGPE-OTTFEQOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]1CCCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000894425549 583455531 /nfs/dbraw/zinc/45/55/31/583455531.db2.gz MKFRNZFWIYGHDA-VIFPVBQESA-N 1 0 235.718 2.167 20 30 BEEDRO C=CC[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)C1CC1 ZINC000894455972 583464750 /nfs/dbraw/zinc/46/47/50/583464750.db2.gz IKVAOOLCZQFZNC-UHFFFAOYSA-N 1 0 243.310 2.419 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)COC(C)=O ZINC000894605720 583491114 /nfs/dbraw/zinc/49/11/14/583491114.db2.gz BHKVZFGHVZQOJV-JTQLQIEISA-N 1 0 213.321 2.130 20 30 BEEDRO C[C@H](CC(C)(C)C#N)NC(CF)CF ZINC000894666051 583502102 /nfs/dbraw/zinc/50/21/02/583502102.db2.gz FCUFNAYHUUUQCL-MRVPVSSYSA-N 1 0 204.264 2.212 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)ccnc1N)C(C)(C)C ZINC000894783753 583521002 /nfs/dbraw/zinc/52/10/02/583521002.db2.gz AASQCGFDEXGNAT-LBPRGKRZSA-N 1 0 231.343 2.110 20 30 BEEDRO Cc1ccnc(N)c1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894881262 583543906 /nfs/dbraw/zinc/54/39/06/583543906.db2.gz UYYHYHXBMLUYQX-RYUDHWBXSA-N 1 0 244.342 2.144 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC000895095212 583587865 /nfs/dbraw/zinc/58/78/65/583587865.db2.gz GYOUVJMMDTYEMY-ZIAGYGMSSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000895097103 583588376 /nfs/dbraw/zinc/58/83/76/583588376.db2.gz MFGNZJDDQQOWPA-ARFHVFGLSA-N 1 0 243.350 2.154 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000895097901 583588412 /nfs/dbraw/zinc/58/84/12/583588412.db2.gz WCWWNKRUAZVWBT-GDBMZVCRSA-N 1 0 245.366 2.229 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CSC(C)(C)C ZINC000895096640 583588416 /nfs/dbraw/zinc/58/84/16/583588416.db2.gz OKLMYWDCDWLYIS-NWDGAFQWSA-N 1 0 243.416 2.271 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000895097905 583588474 /nfs/dbraw/zinc/58/84/74/583588474.db2.gz WCWWNKRUAZVWBT-ZBFHGGJFSA-N 1 0 245.366 2.229 20 30 BEEDRO C#CC1CC[NH+](Cc2csc(C#N)c2)CC1 ZINC000895115967 583591877 /nfs/dbraw/zinc/59/18/77/583591877.db2.gz QBTNDMGHSFKAPO-UHFFFAOYSA-N 1 0 230.336 2.465 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857861266 588914718 /nfs/dbraw/zinc/91/47/18/588914718.db2.gz ZNVKKDUPABEUBF-KOLCDFICSA-N 1 0 205.305 2.341 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CC)C(=O)OC ZINC000895122130 583595868 /nfs/dbraw/zinc/59/58/68/583595868.db2.gz LWTRCYGQHQUYMD-QJPTWQEYSA-N 1 0 227.348 2.376 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857861265 588914885 /nfs/dbraw/zinc/91/48/85/588914885.db2.gz ZNVKKDUPABEUBF-GXSJLCMTSA-N 1 0 205.305 2.341 20 30 BEEDRO Cc1ccc(NCC2([NH+](C)C)CCC2)c(C#N)n1 ZINC000882239371 583600620 /nfs/dbraw/zinc/60/06/20/583600620.db2.gz UYCRXXLWWYDEPP-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]CCc1ccc(C)c(C)c1 ZINC000895131379 583601176 /nfs/dbraw/zinc/60/11/76/583601176.db2.gz HRGLULUFCKZSOP-MRXNPFEDSA-N 1 0 245.366 2.210 20 30 BEEDRO CCCCCC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160125 583609149 /nfs/dbraw/zinc/60/91/49/583609149.db2.gz KNPGPOQEIDGLEI-NEPJUHHUSA-N 1 0 242.363 2.315 20 30 BEEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160961 583609551 /nfs/dbraw/zinc/60/95/51/583609551.db2.gz QBDWIASEVXUFGW-NWDGAFQWSA-N 1 0 242.363 2.171 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(C)co2)C1 ZINC000895182117 583617993 /nfs/dbraw/zinc/61/79/93/583617993.db2.gz AJAFWXOBMTYEOG-LBPRGKRZSA-N 1 0 203.285 2.433 20 30 BEEDRO COCCN(C)[NH+]=C(C)c1ccccc1N(C)C ZINC000794966198 583631103 /nfs/dbraw/zinc/63/11/03/583631103.db2.gz OKKAANUEUSQOMD-UHFFFAOYSA-N 1 0 249.358 2.055 20 30 BEEDRO C=CCC1([NH2+][C@@H]2COCC2(C)C)CCOCC1 ZINC000895258932 583634164 /nfs/dbraw/zinc/63/41/64/583634164.db2.gz IIHVDTKIBZTPMP-GFCCVEGCSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895306274 583643729 /nfs/dbraw/zinc/64/37/29/583643729.db2.gz BVSPRFNNDHWXES-RYUDHWBXSA-N 1 0 210.321 2.486 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCCC ZINC000895340326 583654650 /nfs/dbraw/zinc/65/46/50/583654650.db2.gz OXXWOZGUIJXTMW-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(Br)C[NH2+]C1CCSCC1 ZINC000105453814 583659740 /nfs/dbraw/zinc/65/97/40/583659740.db2.gz VYCGIOLXVIWOAF-UHFFFAOYSA-N 1 0 236.178 2.380 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC000895380994 583662306 /nfs/dbraw/zinc/66/23/06/583662306.db2.gz VFJZVNLXIKGUAS-UHFFFAOYSA-N 1 0 243.350 2.264 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000895383500 583662983 /nfs/dbraw/zinc/66/29/83/583662983.db2.gz WSODFHRLALFFHN-UHFFFAOYSA-N 1 0 249.379 2.325 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C1 ZINC000857879495 588919700 /nfs/dbraw/zinc/91/97/00/588919700.db2.gz GFCZFTXEQKESKC-ZWNOBZJWSA-N 1 0 213.284 2.089 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC000895388250 583663507 /nfs/dbraw/zinc/66/35/07/583663507.db2.gz IHDFKRQYNDRKAJ-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)ccnc2N)C1 ZINC000895390531 583663905 /nfs/dbraw/zinc/66/39/05/583663905.db2.gz WBCSHNKNVDCYKS-LBPRGKRZSA-N 1 0 231.343 2.370 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CSC2)C1 ZINC000895422205 583673434 /nfs/dbraw/zinc/67/34/34/583673434.db2.gz VMKUXMIMRYNCJY-MWLCHTKSSA-N 1 0 210.346 2.021 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCCCC=C ZINC000895491155 583680846 /nfs/dbraw/zinc/68/08/46/583680846.db2.gz YMVBYJGDMITAKF-CHWSQXEVSA-N 1 0 209.333 2.095 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2C=CCC2)n1 ZINC000895527880 583685091 /nfs/dbraw/zinc/68/50/91/583685091.db2.gz QKQXFCUJQJWOIT-LLVKDONJSA-N 1 0 213.284 2.009 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c3c(nn2C)CCC3)C1 ZINC000895561550 583691275 /nfs/dbraw/zinc/69/12/75/583691275.db2.gz ZWMUUKXGOAYXRI-GFCCVEGCSA-N 1 0 245.370 2.307 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)COCCOC ZINC000895562158 583691677 /nfs/dbraw/zinc/69/16/77/583691677.db2.gz ZBFXZUQMNLXKFF-GFCCVEGCSA-N 1 0 229.364 2.230 20 30 BEEDRO N#Cc1csc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000895573620 583692737 /nfs/dbraw/zinc/69/27/37/583692737.db2.gz QELDDKBZFDIKNJ-SECBINFHSA-N 1 0 224.304 2.411 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(c2ncccn2)CCC1 ZINC000895622134 583697201 /nfs/dbraw/zinc/69/72/01/583697201.db2.gz HRZOAYZESLOQEY-GFCCVEGCSA-N 1 0 244.342 2.385 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CCCc1ccc(C)nc1 ZINC000895714908 583711159 /nfs/dbraw/zinc/71/11/59/583711159.db2.gz KZEPKRHRHFKJOP-OAHLLOKOSA-N 1 0 248.370 2.239 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCCn2nncc2C1 ZINC000895756599 583720330 /nfs/dbraw/zinc/72/03/30/583720330.db2.gz YPRDUSJKQRBMET-UHFFFAOYSA-N 1 0 246.358 2.068 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(OC)OC ZINC000895792664 583728940 /nfs/dbraw/zinc/72/89/40/583728940.db2.gz XTRDQSNRHIPGMW-WDEREUQCSA-N 1 0 215.337 2.328 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895848832 583736880 /nfs/dbraw/zinc/73/68/80/583736880.db2.gz URGVICIZLKAEQQ-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCC1([NH2+]C[C@H](C)CCC#N)CCOCC1 ZINC000895894691 583740704 /nfs/dbraw/zinc/74/07/04/583740704.db2.gz OONBNDHUOHYPOI-CYBMUJFWSA-N 1 0 234.343 2.088 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C1CCS(=O)CC1 ZINC000895929949 583748320 /nfs/dbraw/zinc/74/83/20/583748320.db2.gz BPLDVGAUWOPFIW-UHFFFAOYSA-N 1 0 243.416 2.480 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nccn2C2CC2)CC1 ZINC000895951811 583751557 /nfs/dbraw/zinc/75/15/57/583751557.db2.gz CRVHZWXXXQZOOP-JOCQHMNTSA-N 1 0 243.354 2.500 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCO1 ZINC000883232739 583755670 /nfs/dbraw/zinc/75/56/70/583755670.db2.gz QSSMTWSFXIZMDY-ZOBORPQBSA-N 1 0 239.359 2.267 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)OC1 ZINC000883249800 583764363 /nfs/dbraw/zinc/76/43/63/583764363.db2.gz QXFRIIJGHAWIHW-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CSCCC ZINC000896035617 583765162 /nfs/dbraw/zinc/76/51/62/583765162.db2.gz WQMRLIHJTFOTSK-RYUDHWBXSA-N 1 0 231.405 2.435 20 30 BEEDRO Cc1nc([C@@H]2CC[N@@H+](C[C@H](C)CCC#N)C2)no1 ZINC000896233533 583784572 /nfs/dbraw/zinc/78/45/72/583784572.db2.gz UMTWMAAIKIFSTP-ZYHUDNBSSA-N 1 0 248.330 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccsc1C ZINC000883400896 583794658 /nfs/dbraw/zinc/79/46/58/583794658.db2.gz XUPXADDNMCCMCO-GFCCVEGCSA-N 1 0 225.357 2.473 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccsc1C ZINC000883400897 583794665 /nfs/dbraw/zinc/79/46/65/583794665.db2.gz XUPXADDNMCCMCO-LBPRGKRZSA-N 1 0 225.357 2.473 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000896401680 583799191 /nfs/dbraw/zinc/79/91/91/583799191.db2.gz RDRHNXRMCQHPHY-WBMYTEFPSA-N 1 0 227.311 2.087 20 30 BEEDRO C#CC[N@@H+]1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858045057 588930795 /nfs/dbraw/zinc/93/07/95/588930795.db2.gz YSWBBNPVQBPQQG-AWEZNQCLSA-N 1 0 242.322 2.045 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CCC[C@@H](C#N)C1)C1CC1 ZINC000896503567 583807770 /nfs/dbraw/zinc/80/77/70/583807770.db2.gz LCLGSUJWKMEQCU-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)CCO1 ZINC000896583827 583815318 /nfs/dbraw/zinc/81/53/18/583815318.db2.gz IAKJISJZQUAGJG-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896598302 583816622 /nfs/dbraw/zinc/81/66/22/583816622.db2.gz HPIGEWIPOUQMPZ-DGCLKSJQSA-N 1 0 244.342 2.457 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000896598301 583816741 /nfs/dbraw/zinc/81/67/41/583816741.db2.gz HPIGEWIPOUQMPZ-AAEUAGOBSA-N 1 0 244.342 2.457 20 30 BEEDRO C=C1CCC(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000896707923 583824476 /nfs/dbraw/zinc/82/44/76/583824476.db2.gz JXCLDIGRUJXADL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CCC(C[NH2+][C@H](C)COCCOC)CC1 ZINC000896837930 583838984 /nfs/dbraw/zinc/83/89/84/583838984.db2.gz CBSOIJMDMAWODB-CYBMUJFWSA-N 1 0 241.375 2.374 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000896855326 583840193 /nfs/dbraw/zinc/84/01/93/583840193.db2.gz TZAUCBQUGOIVIV-FQUUOJAGSA-N 1 0 234.343 2.107 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000897165730 583886491 /nfs/dbraw/zinc/88/64/91/583886491.db2.gz AZRFVKXZASHOHD-CYBMUJFWSA-N 1 0 242.322 2.433 20 30 BEEDRO C#CC[N@H+](Cc1ccnc(F)c1C)C(C)C ZINC000897170926 583889183 /nfs/dbraw/zinc/88/91/83/583889183.db2.gz LPPCQEXOHJOSBP-UHFFFAOYSA-N 1 0 220.291 2.373 20 30 BEEDRO Cc1ccc(NCC[NH2+]C[C@H](C)CCC#N)nc1 ZINC000897182153 583892248 /nfs/dbraw/zinc/89/22/48/583892248.db2.gz VIZDWXNYGVHASM-GFCCVEGCSA-N 1 0 246.358 2.331 20 30 BEEDRO C#Cc1cccnc1NCC[N@H+]1CCC(C)(C)C1 ZINC000897248355 583902144 /nfs/dbraw/zinc/90/21/44/583902144.db2.gz OBRCPXXZMAQGOP-UHFFFAOYSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315793 583918508 /nfs/dbraw/zinc/91/85/08/583918508.db2.gz RUMIFTVCEHJYDE-QWRGUYRKSA-N 1 0 220.316 2.478 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(F)ncc2F)CCC1 ZINC000897350494 583929026 /nfs/dbraw/zinc/92/90/26/583929026.db2.gz FAOUZCBPJYGZKV-UHFFFAOYSA-N 1 0 236.265 2.395 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000897350381 583929087 /nfs/dbraw/zinc/92/90/87/583929087.db2.gz AILWISRIWKUCFA-UHFFFAOYSA-N 1 0 245.322 2.436 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccccc1F ZINC000858332135 588946163 /nfs/dbraw/zinc/94/61/63/588946163.db2.gz ORNMTMSFWMAIKT-ZDUSSCGKSA-N 1 0 235.302 2.344 20 30 BEEDRO C[C@@H]1CCCC1=NNCC[NH+]1CCCCC1 ZINC000729142722 583960050 /nfs/dbraw/zinc/96/00/50/583960050.db2.gz YPQKHSPJBOHWKX-GFCCVEGCSA-N 1 0 223.364 2.238 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000862355604 583961278 /nfs/dbraw/zinc/96/12/78/583961278.db2.gz LQLJYNFRNOJBSK-GFCCVEGCSA-N 1 0 226.364 2.025 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CCCC[C@H]1C ZINC000203026445 583962343 /nfs/dbraw/zinc/96/23/43/583962343.db2.gz ORLORRFPORZOLT-NEPJUHHUSA-N 1 0 225.380 2.373 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000862445112 583963122 /nfs/dbraw/zinc/96/31/22/583963122.db2.gz MCYBXPWKRIXGDS-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000799719689 583965956 /nfs/dbraw/zinc/96/59/56/583965956.db2.gz UZTQHVJSUBTTCD-VOAKCMCISA-N 1 0 248.326 2.373 20 30 BEEDRO CC(=O)C1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000104425997 583978395 /nfs/dbraw/zinc/97/83/95/583978395.db2.gz HHCJGQLXVXQDFC-UHFFFAOYSA-N 1 0 242.322 2.359 20 30 BEEDRO c1cnn([NH+]=C2CCCC23CCOCC3)c1 ZINC000863163579 583979842 /nfs/dbraw/zinc/97/98/42/583979842.db2.gz JMHNAAXZSJLIIT-UHFFFAOYSA-N 1 0 219.288 2.068 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(C#N)cc1 ZINC000858333442 588946515 /nfs/dbraw/zinc/94/65/15/588946515.db2.gz GRFABEXLFKSBMK-OAHLLOKOSA-N 1 0 242.322 2.076 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc2c1CCC2 ZINC000858334241 588946519 /nfs/dbraw/zinc/94/65/19/588946519.db2.gz JYLLRTKZYIOLBK-OAHLLOKOSA-N 1 0 243.350 2.303 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000858335266 588947216 /nfs/dbraw/zinc/94/72/16/588947216.db2.gz RALMVXUHUKBQOX-AWEZNQCLSA-N 1 0 247.338 2.137 20 30 BEEDRO CC1(C[NH+]2CCC3(CC2)CC(=O)C=CO3)CC1 ZINC000897599399 584025111 /nfs/dbraw/zinc/02/51/11/584025111.db2.gz JMARZGOECFCRIG-UHFFFAOYSA-N 1 0 235.327 2.124 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1nc(C#N)cs1 ZINC000897628349 584033043 /nfs/dbraw/zinc/03/30/43/584033043.db2.gz HJARSYQYYZSCBT-SECBINFHSA-N 1 0 234.328 2.044 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897685679 584038803 /nfs/dbraw/zinc/03/88/03/584038803.db2.gz PIWRXVMMSDBPGO-GXTWGEPZSA-N 1 0 247.338 2.064 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897777894 584045841 /nfs/dbraw/zinc/04/58/41/584045841.db2.gz CFURGFGZLGTZFT-KBHBFKLGSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819445 584051508 /nfs/dbraw/zinc/05/15/08/584051508.db2.gz RWGAZYJUIWEDLY-UCHMUAQZSA-N 1 0 221.344 2.353 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1COCC[C@H]1OC ZINC000897890110 584057845 /nfs/dbraw/zinc/05/78/45/584057845.db2.gz IXVAEFPAQBIPLB-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2COCC[C@H]2OC)C1 ZINC000897890807 584057968 /nfs/dbraw/zinc/05/79/68/584057968.db2.gz ZVQHASWEPSSVLA-AAVRWANBSA-N 1 0 239.359 2.125 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)o1 ZINC000897953982 584064329 /nfs/dbraw/zinc/06/43/29/584064329.db2.gz WGACBXDWIDFTBJ-TVYUQYBPSA-N 1 0 216.284 2.429 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CC(CCO)C2)C1 ZINC000898010940 584071469 /nfs/dbraw/zinc/07/14/69/584071469.db2.gz QFBWERLFQBBMIG-ZIHBUVQPSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898044792 584073302 /nfs/dbraw/zinc/07/33/02/584073302.db2.gz CHAJUKODSNQCII-QWRGUYRKSA-N 1 0 207.321 2.110 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000898035554 584079337 /nfs/dbraw/zinc/07/93/37/584079337.db2.gz UXOUCSYCFSEAQC-ZIAGYGMSSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cn(C)cn1 ZINC000898043036 584080337 /nfs/dbraw/zinc/08/03/37/584080337.db2.gz BTAADOHWLRTNCR-NSHDSACASA-N 1 0 207.321 2.255 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)C1 ZINC000898064501 584081565 /nfs/dbraw/zinc/08/15/65/584081565.db2.gz HGJAKPQQWUZDLK-XJFOESAGSA-N 1 0 246.354 2.227 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065067 584081690 /nfs/dbraw/zinc/08/16/90/584081690.db2.gz QBHFKUFECQTHIA-MELADBBJSA-N 1 0 248.370 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)C1 ZINC000898170447 584089235 /nfs/dbraw/zinc/08/92/35/584089235.db2.gz GWBHRFRCPVNRLL-CABCVRRESA-N 1 0 244.338 2.003 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@H](O)C1CC1 ZINC000898204348 584091221 /nfs/dbraw/zinc/09/12/21/584091221.db2.gz SIWUPYNSEPKHCQ-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC[C@H](O)C2CC2)CC1 ZINC000898196881 584097314 /nfs/dbraw/zinc/09/73/14/584097314.db2.gz BDZOTKJRXMSZBR-MOKVOYLWSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000898271365 584104471 /nfs/dbraw/zinc/10/44/71/584104471.db2.gz YBNNFOUUMYJEAQ-VXGBXAGGSA-N 1 0 249.358 2.104 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cs1 ZINC000898376163 584113879 /nfs/dbraw/zinc/11/38/79/584113879.db2.gz KUQJSCLGIRZVBB-OLZOCXBDSA-N 1 0 248.351 2.134 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC000898380903 584115495 /nfs/dbraw/zinc/11/54/95/584115495.db2.gz ACLOBTZVABTKQC-HZPDHXFCSA-N 1 0 241.334 2.183 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000898381044 584115619 /nfs/dbraw/zinc/11/56/19/584115619.db2.gz XXEJSFBHPMIUQD-AKUTZHFWSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CCCON=C(N)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000842049207 584118463 /nfs/dbraw/zinc/11/84/63/584118463.db2.gz PQCDCSSSUPOFMQ-VXGBXAGGSA-N 1 0 239.363 2.324 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C/C=C/Cl ZINC000898428011 584132807 /nfs/dbraw/zinc/13/28/07/584132807.db2.gz GLCRHRXJPMLJDG-XGQHYKRYSA-N 1 0 242.750 2.427 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000898460191 584137264 /nfs/dbraw/zinc/13/72/64/584137264.db2.gz GVHFSZKILOPKFL-UHFFFAOYSA-N 1 0 219.332 2.274 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000898457998 584137374 /nfs/dbraw/zinc/13/73/74/584137374.db2.gz UMLIKQDWPRJUJX-UHFFFAOYSA-N 1 0 221.300 2.455 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000898458239 584137601 /nfs/dbraw/zinc/13/76/01/584137601.db2.gz ZVTDWIBGRYCZBN-UHFFFAOYSA-N 1 0 249.310 2.478 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000898461005 584137818 /nfs/dbraw/zinc/13/78/18/584137818.db2.gz YCWNWLXGNSQTRC-UHFFFAOYSA-N 1 0 231.299 2.323 20 30 BEEDRO C=CCCCCNc1cc[nH+]c(CO)c1 ZINC000858486485 588959805 /nfs/dbraw/zinc/95/98/05/588959805.db2.gz NPECVVOCYVCTLN-UHFFFAOYSA-N 1 0 206.289 2.342 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000899146899 584176853 /nfs/dbraw/zinc/17/68/53/584176853.db2.gz CHYCDYXMPVOFGN-GFCCVEGCSA-N 1 0 238.375 2.282 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1 ZINC000899910281 584252490 /nfs/dbraw/zinc/25/24/90/584252490.db2.gz DCHXNHWOQUVIOG-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H]2C2CCCC2)CC1 ZINC000899912654 584253610 /nfs/dbraw/zinc/25/36/10/584253610.db2.gz MZECBOQOUIBLTG-KBPBESRZSA-N 1 0 248.370 2.306 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH+](CC)CC ZINC000899932749 584257161 /nfs/dbraw/zinc/25/71/61/584257161.db2.gz YDDNBAIYFJAAOG-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CCCC ZINC000899938182 584258994 /nfs/dbraw/zinc/25/89/94/584258994.db2.gz WNTPVCZERJUQBC-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO N#Cc1ncc(C(F)(F)F)cc1SCC[NH3+] ZINC000900023238 584267779 /nfs/dbraw/zinc/26/77/79/584267779.db2.gz VCCAJPXYGMNLKE-UHFFFAOYSA-N 1 0 247.245 2.023 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC000900122075 584275273 /nfs/dbraw/zinc/27/52/73/584275273.db2.gz IIVVLOCZCRBUIN-WCQYABFASA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC(C)C)C1CC1 ZINC000900120471 584275281 /nfs/dbraw/zinc/27/52/81/584275281.db2.gz YJXRTFXHTCDVNX-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900585532 584331924 /nfs/dbraw/zinc/33/19/24/584331924.db2.gz SRZMHOMZFGWCHK-KBPBESRZSA-N 1 0 248.370 2.182 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CCCC[NH+](C)C ZINC000900770508 584349192 /nfs/dbraw/zinc/34/91/92/584349192.db2.gz XAAMMWKCXWEFPS-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO Cn1nccc1N=NC1CCC(C)([NH+](C)C)CC1 ZINC000901219598 584403036 /nfs/dbraw/zinc/40/30/36/584403036.db2.gz GYCFXZQZIDWFBW-UHFFFAOYSA-N 1 0 249.362 2.082 20 30 BEEDRO CCNN=C1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000901279580 584414421 /nfs/dbraw/zinc/41/44/21/584414421.db2.gz VCQPMFSYMRHHBJ-CYBMUJFWSA-N 1 0 245.370 2.494 20 30 BEEDRO CCN[NH+]=C(C)c1ccc(N2CCCC2)cc1O ZINC000901279875 584414456 /nfs/dbraw/zinc/41/44/56/584414456.db2.gz ZEKCYGVQOOQPKX-UHFFFAOYSA-N 1 0 247.342 2.326 20 30 BEEDRO CCN=NC1C[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000901281178 584414692 /nfs/dbraw/zinc/41/46/92/584414692.db2.gz LLKUYPPWTDRJPS-CYBMUJFWSA-N 1 0 245.370 2.494 20 30 BEEDRO C[C@@H]1CC[C@H](C=Nn2nnc3c2CCCC3)C1 ZINC000901331438 584425180 /nfs/dbraw/zinc/42/51/80/584425180.db2.gz NZDHVDWIJAROJW-MNOVXSKESA-N 1 0 232.331 2.427 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901348834 584431005 /nfs/dbraw/zinc/43/10/05/584431005.db2.gz DXCGOMAFXOPWLI-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000901630926 584471100 /nfs/dbraw/zinc/47/11/00/584471100.db2.gz QMULMPBOUFDZKE-XQQFMLRXSA-N 1 0 217.316 2.210 20 30 BEEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000901641914 584473904 /nfs/dbraw/zinc/47/39/04/584473904.db2.gz FJOQHQIDFUOYBH-LLVKDONJSA-N 1 0 219.332 2.456 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccccc1NC ZINC000902321944 584551955 /nfs/dbraw/zinc/55/19/55/584551955.db2.gz ZOMSNYINVWRDFR-UHFFFAOYSA-N 1 0 234.343 2.411 20 30 BEEDRO CC[C@@H](NCC1([NH3+])CC1)c1ccc(C#N)cc1 ZINC000902404117 584588703 /nfs/dbraw/zinc/58/87/03/584588703.db2.gz CDQPNLDHMSMCEW-CYBMUJFWSA-N 1 0 229.327 2.090 20 30 BEEDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448149 584604750 /nfs/dbraw/zinc/60/47/50/584604750.db2.gz CZRQPZJNUTXJLS-BXUZGUMPSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C)ccc1NC ZINC000902457913 584610278 /nfs/dbraw/zinc/61/02/78/584610278.db2.gz VJCWKMFBSARXRD-ZDUSSCGKSA-N 1 0 248.370 2.311 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1NC ZINC000902457941 584610554 /nfs/dbraw/zinc/61/05/54/584610554.db2.gz VRSFWOPRUGDBNE-LBPRGKRZSA-N 1 0 234.343 2.003 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000902490293 584628023 /nfs/dbraw/zinc/62/80/23/584628023.db2.gz MGZUEJCWFNSTGJ-RKDXNWHRSA-N 1 0 225.361 2.416 20 30 BEEDRO CCn1cnc(C[NH2+]CC(C)(C)CCC#N)c1 ZINC000902561248 584634692 /nfs/dbraw/zinc/63/46/92/584634692.db2.gz SCHLAMHNJGAFON-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccccc1NC ZINC000902644460 584651191 /nfs/dbraw/zinc/65/11/91/584651191.db2.gz NFJXPRCYBSMMKL-CYBMUJFWSA-N 1 0 234.343 2.145 20 30 BEEDRO C=CCCC[N@@H+](CC)Cn1cc[nH]c1=S ZINC000902669372 584654132 /nfs/dbraw/zinc/65/41/32/584654132.db2.gz LPUKDEZUTWDOCQ-UHFFFAOYSA-N 1 0 225.361 2.417 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CCC(C)(C)C1=O ZINC000902668688 584654270 /nfs/dbraw/zinc/65/42/70/584654270.db2.gz DDFDJSMHJVSFAX-UHFFFAOYSA-N 1 0 238.375 2.491 20 30 BEEDRO CC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720547 584659911 /nfs/dbraw/zinc/65/99/11/584659911.db2.gz KZTJVPYGEWHZEL-VHSXEESVSA-N 1 0 203.289 2.402 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902761809 584666159 /nfs/dbraw/zinc/66/61/59/584666159.db2.gz AEVDJTJKAIWMCU-DGCLKSJQSA-N 1 0 247.342 2.011 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1cccc(C#N)c1 ZINC000902791894 584673444 /nfs/dbraw/zinc/67/34/44/584673444.db2.gz ZIYVLKFNFMOTAU-LSDHHAIUSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902820088 584675817 /nfs/dbraw/zinc/67/58/17/584675817.db2.gz OLEJKSPETYOLRS-GMXVVIOVSA-N 1 0 245.326 2.029 20 30 BEEDRO CO[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902827685 584676843 /nfs/dbraw/zinc/67/68/43/584676843.db2.gz MVSQZXGDHASMDK-SMDDNHRTSA-N 1 0 247.342 2.275 20 30 BEEDRO CO[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902827684 584676904 /nfs/dbraw/zinc/67/69/04/584676904.db2.gz MVSQZXGDHASMDK-RISCZKNCSA-N 1 0 247.342 2.275 20 30 BEEDRO CC[C@H](COC)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902812382 584677865 /nfs/dbraw/zinc/67/78/65/584677865.db2.gz SEZXYZYANDAEDG-ZYHUDNBSSA-N 1 0 233.315 2.029 20 30 BEEDRO CC[C@@H]([NH2+][C@H](C)CCO)c1cccc(C#N)c1 ZINC000902812498 584677970 /nfs/dbraw/zinc/67/79/70/584677970.db2.gz UIHRHVKLVZCIAZ-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cc(C#N)ccn1 ZINC000902836525 584679264 /nfs/dbraw/zinc/67/92/64/584679264.db2.gz JMRQEFPXLYHTFB-ZYHUDNBSSA-N 1 0 247.367 2.499 20 30 BEEDRO COC(C)(C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902842621 584680553 /nfs/dbraw/zinc/68/05/53/584680553.db2.gz ZEYXIIRRRIEBIR-SNVBAGLBSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+]C1(c2ccccc2)CC1 ZINC000801937641 584684072 /nfs/dbraw/zinc/68/40/72/584684072.db2.gz RJBMDBKYMOVLSD-LBPRGKRZSA-N 1 0 230.311 2.194 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902878663 584687321 /nfs/dbraw/zinc/68/73/21/584687321.db2.gz IUIDTAJVBCVAQC-LBPRGKRZSA-N 1 0 245.326 2.197 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCOC1)c1cccc(C#N)c1 ZINC000902886297 584689279 /nfs/dbraw/zinc/68/92/79/584689279.db2.gz MOEUEDQRLJNBKK-KBPBESRZSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCCOCC1)c1cc(C#N)ccn1 ZINC000902895811 584690635 /nfs/dbraw/zinc/69/06/35/584690635.db2.gz CLAJQUFQIHBOCV-YPMHNXCESA-N 1 0 245.326 2.173 20 30 BEEDRO C=CCOCC[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902946277 584696623 /nfs/dbraw/zinc/69/66/23/584696623.db2.gz ZVINLPZHZDFGNB-VXGBXAGGSA-N 1 0 209.333 2.357 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902965951 584701736 /nfs/dbraw/zinc/70/17/36/584701736.db2.gz AZIMXVLTKODGKC-AXFHLTTASA-N 1 0 233.315 2.027 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902951915 584704535 /nfs/dbraw/zinc/70/45/35/584704535.db2.gz SLRXBEFRSRWTTM-IJLUTSLNSA-N 1 0 209.333 2.092 20 30 BEEDRO C#C[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000902958789 584706105 /nfs/dbraw/zinc/70/61/05/584706105.db2.gz UBAGJSIJZOZLFK-JURCDPSOSA-N 1 0 233.355 2.336 20 30 BEEDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902987583 584708837 /nfs/dbraw/zinc/70/88/37/584708837.db2.gz OUUBWYPUGSAHRZ-KWBADKCTSA-N 1 0 247.367 2.355 20 30 BEEDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903018474 584713671 /nfs/dbraw/zinc/71/36/71/584713671.db2.gz CSCHVVHYUYGQBB-RYUDHWBXSA-N 1 0 247.342 2.276 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)OC ZINC000903002370 584716018 /nfs/dbraw/zinc/71/60/18/584716018.db2.gz AEDAIOFMENDCJH-WCQYABFASA-N 1 0 247.342 2.419 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCOC1(C)C)c1cc(C#N)ccn1 ZINC000903006868 584716835 /nfs/dbraw/zinc/71/68/35/584716835.db2.gz PEQVHDXNINRBRF-GWCFXTLKSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903006422 584716918 /nfs/dbraw/zinc/71/69/18/584716918.db2.gz HJILAGSSXIYBBB-MNOVXSKESA-N 1 0 247.342 2.153 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000903007504 584717256 /nfs/dbraw/zinc/71/72/56/584717256.db2.gz AXOHBVYWDCOIBU-SYQHCUMBSA-N 1 0 239.359 2.267 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000903007502 584717267 /nfs/dbraw/zinc/71/72/67/584717267.db2.gz AXOHBVYWDCOIBU-FQUUOJAGSA-N 1 0 239.359 2.267 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903008797 584717464 /nfs/dbraw/zinc/71/74/64/584717464.db2.gz UXYDLHHQADTZSH-ZKYQVNSYSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(C#N)ccn1 ZINC000903047638 584723741 /nfs/dbraw/zinc/72/37/41/584723741.db2.gz BFVZXQLAPPQZRW-PWSUYJOCSA-N 1 0 213.284 2.322 20 30 BEEDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903073612 584726137 /nfs/dbraw/zinc/72/61/37/584726137.db2.gz RIDYOGZFIKMEJU-AAEUAGOBSA-N 1 0 247.342 2.155 20 30 BEEDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903073616 584726142 /nfs/dbraw/zinc/72/61/42/584726142.db2.gz RIDYOGZFIKMEJU-YPMHNXCESA-N 1 0 247.342 2.155 20 30 BEEDRO COCC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903105199 584727999 /nfs/dbraw/zinc/72/79/99/584727999.db2.gz ADXIWUBVQUCVJE-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1O ZINC000903106184 584728673 /nfs/dbraw/zinc/72/86/73/584728673.db2.gz NFNKAGCVKKNVAR-SECBINFHSA-N 1 0 234.274 2.486 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCO1 ZINC000903108383 584728844 /nfs/dbraw/zinc/72/88/44/584728844.db2.gz BJUPQTDKVVCTAS-CHWSQXEVSA-N 1 0 234.343 2.394 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903093881 584728919 /nfs/dbraw/zinc/72/89/19/584728919.db2.gz LFZJSAYHFUYIIJ-FZKCQIBNSA-N 1 0 246.398 2.252 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903195755 584734283 /nfs/dbraw/zinc/73/42/83/584734283.db2.gz AAMWTPUJWSNBCK-KGLIPLIRSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903195756 584734476 /nfs/dbraw/zinc/73/44/76/584734476.db2.gz AAMWTPUJWSNBCK-UONOGXRCSA-N 1 0 239.359 2.270 20 30 BEEDRO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903222146 584737615 /nfs/dbraw/zinc/73/76/15/584737615.db2.gz WUCHUSSCEZGUMG-QXMXGUDHSA-N 1 0 245.370 2.038 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903219831 584737809 /nfs/dbraw/zinc/73/78/09/584737809.db2.gz KAZWVWDOBJUHMJ-FVCCEPFGSA-N 1 0 209.333 2.092 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903266547 584741576 /nfs/dbraw/zinc/74/15/76/584741576.db2.gz ZJPPQALJDQEQOJ-ASEORRQLSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903300942 584744653 /nfs/dbraw/zinc/74/46/53/584744653.db2.gz LFWLYZXQOHGNMF-AVGNSLFASA-N 1 0 210.365 2.413 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903302060 584745097 /nfs/dbraw/zinc/74/50/97/584745097.db2.gz YFBJIZHPRFJJKC-ZDEQEGDKSA-N 1 0 210.365 2.269 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN2C)C1 ZINC000903315843 584749225 /nfs/dbraw/zinc/74/92/25/584749225.db2.gz KJBPWMRFLFHREZ-UPJWGTAASA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)cn1)[C@H]1CCCO1 ZINC000903350351 584754765 /nfs/dbraw/zinc/75/47/65/584754765.db2.gz AWCRYQTUJYDCTA-ZIAGYGMSSA-N 1 0 249.358 2.024 20 30 BEEDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903421624 584763907 /nfs/dbraw/zinc/76/39/07/584763907.db2.gz PVBOQWCJURCEOD-CYBMUJFWSA-N 1 0 249.745 2.005 20 30 BEEDRO C[NH2+][C@@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000903423064 584764603 /nfs/dbraw/zinc/76/46/03/584764603.db2.gz OZVFEVLRGSBMEA-JXQTWKCFSA-N 1 0 235.375 2.000 20 30 BEEDRO C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1CN ZINC000903424963 584764957 /nfs/dbraw/zinc/76/49/57/584764957.db2.gz NKOSWRPKSHUWKU-VXGQWTEUSA-N 1 0 249.402 2.376 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1CCC[C@@H]1C[NH3+] ZINC000903424862 584765042 /nfs/dbraw/zinc/76/50/42/584765042.db2.gz JLWRXQKJKLNTON-CQSZACIVSA-N 1 0 243.354 2.098 20 30 BEEDRO N#CC1CCC(CN2CCC[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903454097 584772880 /nfs/dbraw/zinc/77/28/80/584772880.db2.gz UQXLHPZMYCKMDK-PFSRBDOWSA-N 1 0 247.386 2.000 20 30 BEEDRO C[C@@H]1CCN[C@@H](C)[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455158 584774334 /nfs/dbraw/zinc/77/43/34/584774334.db2.gz RWVWQVOEBBHTTM-MMFDQKDXSA-N 1 0 249.402 2.292 20 30 BEEDRO C=C(Cl)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903481611 584778136 /nfs/dbraw/zinc/77/81/36/584778136.db2.gz HSVSPDMNMIQOBL-JTQLQIEISA-N 1 0 214.740 2.003 20 30 BEEDRO N#CC1(CCCCN2CCC[C@H]([NH3+])C2)CCC1 ZINC000903713514 584793571 /nfs/dbraw/zinc/79/35/71/584793571.db2.gz UGVODDVFWPVODG-ZDUSSCGKSA-N 1 0 235.375 2.274 20 30 BEEDRO C[NH2+]CCN(C)CCCCC1(C#N)CCC1 ZINC000903751389 584795547 /nfs/dbraw/zinc/79/55/47/584795547.db2.gz HZKDLYVUALCXQC-UHFFFAOYSA-N 1 0 223.364 2.002 20 30 BEEDRO C[C@H]([NH3+])C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000903774977 584799188 /nfs/dbraw/zinc/79/91/88/584799188.db2.gz DHTNQEDZDXKZDT-LBPRGKRZSA-N 1 0 223.364 2.130 20 30 BEEDRO CCCCCCCCN1CC[NH2+]C[C@@H]1COC ZINC000903876375 584816434 /nfs/dbraw/zinc/81/64/34/584816434.db2.gz XPOPYWSWHJZJCA-CQSZACIVSA-N 1 0 242.407 2.267 20 30 BEEDRO C=CCCCCC[N@@H+](C)Cc1ccc(N)nn1 ZINC000904321822 584864873 /nfs/dbraw/zinc/86/48/73/584864873.db2.gz HMDCTSDWKRODBQ-UHFFFAOYSA-N 1 0 234.347 2.237 20 30 BEEDRO C=CCN(CCOC)C[C@H]([NH3+])CCC(C)(C)C ZINC000904346691 584868280 /nfs/dbraw/zinc/86/82/80/584868280.db2.gz YGZRFXHXVYATOG-CYBMUJFWSA-N 1 0 242.407 2.274 20 30 BEEDRO C[C@@]1(CNCC2(C#N)CCCCC2)CCC[NH2+]C1 ZINC000904379403 584876679 /nfs/dbraw/zinc/87/66/79/584876679.db2.gz UHCAOVVMKFWVGK-CQSZACIVSA-N 1 0 249.402 2.440 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+]C[C@H](C)CCC#N)o1 ZINC000877058568 584889274 /nfs/dbraw/zinc/88/92/74/584889274.db2.gz CDYCWIRLBCMXOI-ZYHUDNBSSA-N 1 0 236.315 2.151 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCCCCO ZINC000877136853 584890902 /nfs/dbraw/zinc/89/09/02/584890902.db2.gz ACVDMZQVGHICBW-LBPRGKRZSA-N 1 0 212.337 2.069 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000828021132 584901578 /nfs/dbraw/zinc/90/15/78/584901578.db2.gz QUTTWKFRMJDTFO-HUUCEWRRSA-N 1 0 231.339 2.240 20 30 BEEDRO Nc1ccc2c(c1)CCC2=[NH+]OC1CCOCC1 ZINC000834969041 584915868 /nfs/dbraw/zinc/91/58/68/584915868.db2.gz KDWRQBCBQNEYHJ-UHFFFAOYSA-N 1 0 246.310 2.115 20 30 BEEDRO COc1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834972385 584916197 /nfs/dbraw/zinc/91/61/97/584916197.db2.gz LWTKFBQVEGUULZ-SSDOTTSWSA-N 1 0 227.214 2.143 20 30 BEEDRO COc1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834972394 584916224 /nfs/dbraw/zinc/91/62/24/584916224.db2.gz LWTKFBQVEGUULZ-ZETCQYMHSA-N 1 0 227.214 2.143 20 30 BEEDRO C=CCO[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000835012972 584917788 /nfs/dbraw/zinc/91/77/88/584917788.db2.gz CGDPKQLPFWDBTR-UHFFFAOYSA-N 1 0 219.288 2.074 20 30 BEEDRO CC#CCCOC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000765478589 584937724 /nfs/dbraw/zinc/93/77/24/584937724.db2.gz FGYTYNBKWWJVDH-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CCC[C@@H](C#N)C2)o1 ZINC000765937162 584938508 /nfs/dbraw/zinc/93/85/08/584938508.db2.gz BFFFZTXGKOBXLF-FRRDWIJNSA-N 1 0 248.326 2.293 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@H](C#N)C2)o1 ZINC000765937165 584938554 /nfs/dbraw/zinc/93/85/54/584938554.db2.gz BFFFZTXGKOBXLF-YNEHKIRRSA-N 1 0 248.326 2.293 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)[C@H]1CC1(C)C ZINC000841451037 584948225 /nfs/dbraw/zinc/94/82/25/584948225.db2.gz NFKWABJGQWTDTA-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCON=C(C)c1cccc(C[NH+](C)C)c1 ZINC000814936195 584969407 /nfs/dbraw/zinc/96/94/07/584969407.db2.gz CUAOYZLIIFLWNW-UHFFFAOYSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000820824505 585014837 /nfs/dbraw/zinc/01/48/37/585014837.db2.gz TWWVLWXQGAHYIM-NSHDSACASA-N 1 0 236.315 2.031 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000774157091 585027254 /nfs/dbraw/zinc/02/72/54/585027254.db2.gz GOVCJWUCLXRMKV-UPJWGTAASA-N 1 0 244.342 2.080 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)n(C)n1 ZINC000840788102 585031897 /nfs/dbraw/zinc/03/18/97/585031897.db2.gz VVHLRBSVNQHEOS-NSHDSACASA-N 1 0 234.347 2.319 20 30 BEEDRO CCOC(=O)CC(C)(C)CN(C)C[C@@H](C)C#N ZINC000838800311 585069148 /nfs/dbraw/zinc/06/91/48/585069148.db2.gz XKZZCSQGBGMTGA-NSHDSACASA-N 1 0 240.347 2.057 20 30 BEEDRO C=CCC[NH+]1CCC(n2cccn2)CC1 ZINC000739914764 585085501 /nfs/dbraw/zinc/08/55/01/585085501.db2.gz KEBPIRYNGKMYGM-UHFFFAOYSA-N 1 0 205.305 2.096 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000839016096 585087180 /nfs/dbraw/zinc/08/71/80/585087180.db2.gz WUBPHMPLOZZOTG-STQMWFEESA-N 1 0 219.328 2.090 20 30 BEEDRO Cn1ncc(C[NH2+]CC(C)(C)CC#N)c1Cl ZINC000839163511 585098235 /nfs/dbraw/zinc/09/82/35/585098235.db2.gz NVEXMDLCNHPKOZ-UHFFFAOYSA-N 1 0 240.738 2.103 20 30 BEEDRO CC(C)OCCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000741054788 585109970 /nfs/dbraw/zinc/10/99/70/585109970.db2.gz WZNGXZOKGLGUID-CYBMUJFWSA-N 1 0 237.347 2.177 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOC1CCCCC1 ZINC000886172933 585111092 /nfs/dbraw/zinc/11/10/92/585111092.db2.gz AEJMJTCOWMUZIM-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO Cc1ccc(N=NC2CC[N@H+](C)[C@H](C)C2)nc1 ZINC000741463583 585114270 /nfs/dbraw/zinc/11/42/70/585114270.db2.gz HBGSKAIMYXTEHI-LLVKDONJSA-N 1 0 232.331 2.272 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297138 585117770 /nfs/dbraw/zinc/11/77/70/585117770.db2.gz JFSHRUYBQZDFRY-ZIAGYGMSSA-N 1 0 248.370 2.329 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000742385011 585125578 /nfs/dbraw/zinc/12/55/78/585125578.db2.gz DRLWWETYMSDNBY-UHFFFAOYSA-N 1 0 234.318 2.395 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000886365397 585134709 /nfs/dbraw/zinc/13/47/09/585134709.db2.gz HIXUHXZAJYZIHU-MRXNPFEDSA-N 1 0 238.334 2.446 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)CO2)C1 ZINC000886365495 585134948 /nfs/dbraw/zinc/13/49/48/585134948.db2.gz JRQXFMIRTBZUKA-ZIAGYGMSSA-N 1 0 233.355 2.291 20 30 BEEDRO Fc1cccc(N=NCc2ncc[nH]2)c1F ZINC000743443857 585137318 /nfs/dbraw/zinc/13/73/18/585137318.db2.gz ULWDOERWLYCGBV-UHFFFAOYSA-N 1 0 222.198 2.134 20 30 BEEDRO C#CC[N@@H+](CC1(C)COC1)C1CCCCC1 ZINC000743843108 585140541 /nfs/dbraw/zinc/14/05/41/585140541.db2.gz QJRUSLGFISMEGY-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[N@@H+](CCC(=O)OC(C)C)C(C)C ZINC000743841320 585140573 /nfs/dbraw/zinc/14/05/73/585140573.db2.gz IIIQHTFGBCYDQO-UHFFFAOYSA-N 1 0 213.321 2.225 20 30 BEEDRO C#CCN(CC#CC)CCOc1ccccc1F ZINC000743852188 585140961 /nfs/dbraw/zinc/14/09/61/585140961.db2.gz COMCURMAKGCYEZ-UHFFFAOYSA-N 1 0 245.297 2.163 20 30 BEEDRO C#CCN(CC#CC)Cc1ccccc1F ZINC000743852484 585141018 /nfs/dbraw/zinc/14/10/18/585141018.db2.gz RTVYWAFPNWFCNB-UHFFFAOYSA-N 1 0 215.271 2.284 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000744200586 585146103 /nfs/dbraw/zinc/14/61/03/585146103.db2.gz LHLGYRRUKWKHAQ-CYBMUJFWSA-N 1 0 201.269 2.162 20 30 BEEDRO CN(C)c1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000744394597 585149919 /nfs/dbraw/zinc/14/99/19/585149919.db2.gz KQTAKUSYUDWTEG-UHFFFAOYSA-N 1 0 243.354 2.488 20 30 BEEDRO C#CC[N@@H+](CC)CCOc1ccc(OCC)cc1 ZINC000746457867 585168400 /nfs/dbraw/zinc/16/84/00/585168400.db2.gz SEZHBGBTRGFUMA-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO CC[N@@H+]1CCC(=NOCc2cccnc2)[C@@H](C)C1 ZINC000746585344 585170252 /nfs/dbraw/zinc/17/02/52/585170252.db2.gz CSMGFUPJQIRWRU-LBPRGKRZSA-N 1 0 247.342 2.316 20 30 BEEDRO CC(C)[N@H+]1CC(=NOCc2cccnc2)[C@@H](C)C1 ZINC000746585525 585170321 /nfs/dbraw/zinc/17/03/21/585170321.db2.gz GVRXPCKURXNKHK-LBPRGKRZSA-N 1 0 247.342 2.314 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C(C)C)C1 ZINC000886663172 585172548 /nfs/dbraw/zinc/17/25/48/585172548.db2.gz VAKDREARUDVBCI-RRFJBIMHSA-N 1 0 234.387 2.108 20 30 BEEDRO CN(C)c1ccc(C=[NH+]OC[C@H]2CCOC2)cc1 ZINC000747827869 585184650 /nfs/dbraw/zinc/18/46/50/585184650.db2.gz OKPGXLOJJTZTOV-ZDUSSCGKSA-N 1 0 248.326 2.140 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000748301794 585190402 /nfs/dbraw/zinc/19/04/02/585190402.db2.gz CGELMWAORKFJAT-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO CON=C1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000748780850 585195935 /nfs/dbraw/zinc/19/59/35/585195935.db2.gz PKBBJUHMXGMORE-LBPRGKRZSA-N 1 0 210.321 2.417 20 30 BEEDRO C=C(Cl)CN(C)C1CC[NH+](CC)CC1 ZINC000749114477 585199485 /nfs/dbraw/zinc/19/94/85/585199485.db2.gz CMMOWIRWEAZGNM-UHFFFAOYSA-N 1 0 216.756 2.155 20 30 BEEDRO C#CC[N@@H+](CC)CCOc1ccccc1OCC ZINC000749154602 585200024 /nfs/dbraw/zinc/20/00/24/585200024.db2.gz DPXILGNXAHTUDD-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C[C@@H]1CC(N=NC(N)=[NH2+])C[C@@H](c2ccccc2)C1 ZINC000749853062 585207459 /nfs/dbraw/zinc/20/74/59/585207459.db2.gz BOTYBINNBFBHNG-JQWIXIFHSA-N 1 0 244.342 2.429 20 30 BEEDRO C#CC[NH+](CC#C)CCCCOc1ccccc1 ZINC000752074986 585241402 /nfs/dbraw/zinc/24/14/02/585241402.db2.gz HVEPKUBORZJVDC-UHFFFAOYSA-N 1 0 241.334 2.414 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000752856635 585250730 /nfs/dbraw/zinc/25/07/30/585250730.db2.gz PMCNIQCEXKCPCK-NSHDSACASA-N 1 0 240.734 2.104 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000753769702 585268389 /nfs/dbraw/zinc/26/83/89/585268389.db2.gz PUEWBPLGPVYSAY-ZDUSSCGKSA-N 1 0 247.338 2.304 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000753806799 585269865 /nfs/dbraw/zinc/26/98/65/585269865.db2.gz MNGSMRVFUIKKNP-BETUJISGSA-N 1 0 229.364 2.302 20 30 BEEDRO CC[C@@H]1CCCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753940340 585272437 /nfs/dbraw/zinc/27/24/37/585272437.db2.gz UGFNCSVUMFULCH-RTXFEEFZSA-N 1 0 248.374 2.413 20 30 BEEDRO CCC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)C1CC1 ZINC000753935691 585272630 /nfs/dbraw/zinc/27/26/30/585272630.db2.gz PADAFEWWLVAEKM-TXEJJXNPSA-N 1 0 234.347 2.022 20 30 BEEDRO C(CCCCOc1ccccc1)=[NH+]n1cnnc1 ZINC000753965683 585274022 /nfs/dbraw/zinc/27/40/22/585274022.db2.gz FPDQNSBHBBKWTQ-UHFFFAOYSA-N 1 0 244.298 2.361 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000754239365 585280996 /nfs/dbraw/zinc/28/09/96/585280996.db2.gz ZCDXKEJOMNKZJF-OLZOCXBDSA-N 1 0 223.360 2.129 20 30 BEEDRO CC(C)[N@H+]1CC(N=Nc2ccccn2)[C@H](C)C1 ZINC000754253329 585281153 /nfs/dbraw/zinc/28/11/53/585281153.db2.gz CXFAUPRSXUGRGL-LLVKDONJSA-N 1 0 232.331 2.210 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[Si](C)(C)C)C1CC1 ZINC000754372696 585283657 /nfs/dbraw/zinc/28/36/57/585283657.db2.gz PXCKDYNVPJCYLJ-JTQLQIEISA-N 1 0 210.397 2.488 20 30 BEEDRO N#CCCN(CC[NH+]1CCCC1)Cc1ccco1 ZINC000755859980 585308747 /nfs/dbraw/zinc/30/87/47/585308747.db2.gz LMJKSFLCZUKYCF-UHFFFAOYSA-N 1 0 247.342 2.091 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)CCC ZINC000756552814 585320940 /nfs/dbraw/zinc/32/09/40/585320940.db2.gz KMXKNQLWPPCTPA-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H](C)C1CC1 ZINC000756556219 585320997 /nfs/dbraw/zinc/32/09/97/585320997.db2.gz SUMJAYRRIRIPJH-TZMCWYRMSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](CCO)c1cccs1 ZINC000839552255 585329609 /nfs/dbraw/zinc/32/96/09/585329609.db2.gz QCFYPGCGVINCSR-GHMZBOCLSA-N 1 0 238.356 2.453 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000839581744 585330851 /nfs/dbraw/zinc/33/08/51/585330851.db2.gz UAYQVRGLVGVZEO-JTQLQIEISA-N 1 0 223.703 2.202 20 30 BEEDRO CCCCCCC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000839633157 585332998 /nfs/dbraw/zinc/33/29/98/585332998.db2.gz MHTCDGHVLILJDY-UHFFFAOYSA-N 1 0 226.364 2.167 20 30 BEEDRO CCCCCCC[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000839648730 585333407 /nfs/dbraw/zinc/33/34/07/585333407.db2.gz DFGBJDJQYTWGMW-KBPBESRZSA-N 1 0 243.391 2.334 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000757406413 585335109 /nfs/dbraw/zinc/33/51/09/585335109.db2.gz VOEYMBXOQWBTIS-WDEREUQCSA-N 1 0 215.724 2.240 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000757905955 585346566 /nfs/dbraw/zinc/34/65/66/585346566.db2.gz HOYJCTYITFEFSC-ZDUSSCGKSA-N 1 0 243.354 2.405 20 30 BEEDRO CC(=[NH+]N[C@@H](C)CC#N)c1ccc(N)cc1C ZINC000758120019 585349477 /nfs/dbraw/zinc/34/94/77/585349477.db2.gz QDRQXUCZTGORSM-JTQLQIEISA-N 1 0 230.315 2.193 20 30 BEEDRO CC(=[NH+]NC[C@@H](C)C#N)c1ccc(N)cc1C ZINC000758116357 585349496 /nfs/dbraw/zinc/34/94/96/585349496.db2.gz DSHGQBCENDZKGZ-VIFPVBQESA-N 1 0 230.315 2.051 20 30 BEEDRO C[N@@H+]1CCCC(=NOCC(F)(F)F)CC1 ZINC000758118357 585349514 /nfs/dbraw/zinc/34/95/14/585349514.db2.gz OISUEQQANSMHJI-UHFFFAOYSA-N 1 0 224.226 2.037 20 30 BEEDRO C[C@H]1CN(Cc2ccccc2)CC1=NNC1CC1 ZINC000758128232 585349821 /nfs/dbraw/zinc/34/98/21/585349821.db2.gz WVIRIOFSNARFNW-LBPRGKRZSA-N 1 0 243.354 2.246 20 30 BEEDRO CC[N@H+](Cn1cccc(C#N)c1=O)[C@@H](C)C(C)C ZINC000758198910 585351450 /nfs/dbraw/zinc/35/14/50/585351450.db2.gz XQVUAAFGDDIUBC-LBPRGKRZSA-N 1 0 247.342 2.044 20 30 BEEDRO C[C@H]1C[C@H]1C=[NH+]n1cnnc1-c1ccccc1 ZINC000758374248 585355179 /nfs/dbraw/zinc/35/51/79/585355179.db2.gz PRTMONRNGHKGBH-JQWIXIFHSA-N 1 0 226.283 2.435 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000758496172 585356533 /nfs/dbraw/zinc/35/65/33/585356533.db2.gz BVNSMMAQMFQKTK-UHFFFAOYSA-N 1 0 227.311 2.456 20 30 BEEDRO COCCCO[NH+]=Cc1ccc(N(C)C)cc1 ZINC000758763452 585359747 /nfs/dbraw/zinc/35/97/47/585359747.db2.gz JCBYWKANZRPAFE-UHFFFAOYSA-N 1 0 236.315 2.140 20 30 BEEDRO C#CCCN1CC[NH+](CCCC(C)C)CC1 ZINC000759398856 585372199 /nfs/dbraw/zinc/37/21/99/585372199.db2.gz JFGKPQXRMDIYHQ-UHFFFAOYSA-N 1 0 222.376 2.064 20 30 BEEDRO C#CCC[N@@H+](CCN(CC)CC)CC(C)C ZINC000760842657 585399109 /nfs/dbraw/zinc/39/91/09/585399109.db2.gz CEIOLYACSVLXAE-UHFFFAOYSA-N 1 0 224.392 2.310 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000760847703 585399768 /nfs/dbraw/zinc/39/97/68/585399768.db2.gz ORMDPMZGIQRCNF-GFCCVEGCSA-N 1 0 217.312 2.278 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cc(C)cc(C)c1 ZINC000761109014 585409785 /nfs/dbraw/zinc/40/97/85/585409785.db2.gz NCLREOQBECPHLY-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO Cc1ccc(N=NC2C[C@H](C)[N@@H+](C)C2)cc1 ZINC000761795363 585418679 /nfs/dbraw/zinc/41/86/79/585418679.db2.gz ZICJSHXNZALNBF-NSHDSACASA-N 1 0 217.316 2.487 20 30 BEEDRO COCC#CC[N@H+](CCc1ccccc1)C1CC1 ZINC000762918893 585439423 /nfs/dbraw/zinc/43/94/23/585439423.db2.gz QHVBUBUCVJZDAX-UHFFFAOYSA-N 1 0 243.350 2.343 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(CC)cc1 ZINC000763899057 585456430 /nfs/dbraw/zinc/45/64/30/585456430.db2.gz AGFIFMDLZNQIHO-UHFFFAOYSA-N 1 0 232.327 2.305 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(N(C)C)c1)C1CC1 ZINC000763949250 585457657 /nfs/dbraw/zinc/45/76/57/585457657.db2.gz IFKNYLFQHSWYJE-UHFFFAOYSA-N 1 0 228.339 2.350 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)c1ccc(C)cc1 ZINC000764473212 585466190 /nfs/dbraw/zinc/46/61/90/585466190.db2.gz QTONVTAWNUNNJE-UHFFFAOYSA-N 1 0 232.327 2.076 20 30 BEEDRO CC(C)[N@H+]1CC(=NOCC(F)(F)F)[C@H](C)C1 ZINC000764846749 585475804 /nfs/dbraw/zinc/47/58/04/585475804.db2.gz OYYWILJFVHZFFN-MRVPVSSYSA-N 1 0 238.253 2.281 20 30 BEEDRO Cc1ccnc(N=NC2CC[N@@H+]3CCC[C@H]23)c1 ZINC000765581888 585490247 /nfs/dbraw/zinc/49/02/47/585490247.db2.gz UGJGOEOZDRCGJJ-GFCCVEGCSA-N 1 0 230.315 2.026 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccncc1 ZINC000766020448 585496164 /nfs/dbraw/zinc/49/61/64/585496164.db2.gz PVLGECOCKJIEIP-QEJZJMRPSA-N 1 0 245.370 2.239 20 30 BEEDRO Fc1ccc(CC=[NH+]n2cnnc2)c(Cl)c1 ZINC000766425300 585502244 /nfs/dbraw/zinc/50/22/44/585502244.db2.gz YVHMUKHDHIEJQU-UHFFFAOYSA-N 1 0 238.653 2.147 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000766665922 585504650 /nfs/dbraw/zinc/50/46/50/585504650.db2.gz ZSQSXOLKVFKGNF-LLVKDONJSA-N 1 0 229.323 2.334 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000766665956 585504653 /nfs/dbraw/zinc/50/46/53/585504653.db2.gz LFTQQYUYFIZARS-NSHDSACASA-N 1 0 240.306 2.394 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000766900763 585508963 /nfs/dbraw/zinc/50/89/63/585508963.db2.gz DILJQBWHSATWJB-LBPRGKRZSA-N 1 0 203.285 2.482 20 30 BEEDRO C#CCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000766907287 585509069 /nfs/dbraw/zinc/50/90/69/585509069.db2.gz YPVDFGXPMJPFAT-LLVKDONJSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000766902637 585510803 /nfs/dbraw/zinc/51/08/03/585510803.db2.gz MATQZAZWTWPVFH-AWEZNQCLSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000766905238 585510823 /nfs/dbraw/zinc/51/08/23/585510823.db2.gz IEPHCXTYQOZOHM-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCC[N@H+]1CCOC[C@@H]1CC(C)C ZINC000766906854 585511106 /nfs/dbraw/zinc/51/11/06/585511106.db2.gz WMQWAADFLQFBOA-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000766933044 585512247 /nfs/dbraw/zinc/51/22/47/585512247.db2.gz UBGKOAAYERKTLD-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2c(F)cccc2C1 ZINC000767119713 585514575 /nfs/dbraw/zinc/51/45/75/585514575.db2.gz MYKMOODDNLHZGY-AWEZNQCLSA-N 1 0 235.302 2.121 20 30 BEEDRO C[N@H+](CCC(=O)C1CC1)Cc1cccc(C#N)c1 ZINC000767363637 585517743 /nfs/dbraw/zinc/51/77/43/585517743.db2.gz STVSVIPMIHQHSB-UHFFFAOYSA-N 1 0 242.322 2.359 20 30 BEEDRO Oc1cccc(/C=N\CCc2cscn2)c1O ZINC000767866455 585526910 /nfs/dbraw/zinc/52/69/10/585526910.db2.gz SXQRICZITJBPKN-MLPAPPSSSA-N 1 0 248.307 2.216 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN(Cc2ccc(C#N)o2)C1 ZINC000769233886 585551496 /nfs/dbraw/zinc/55/14/96/585551496.db2.gz TZADNNXFFXFMLN-GFCCVEGCSA-N 1 0 247.342 2.114 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@@H]1CC=CCC1 ZINC000769449107 585557231 /nfs/dbraw/zinc/55/72/31/585557231.db2.gz XYHHRYAIFHSKDB-CQSZACIVSA-N 1 0 201.313 2.301 20 30 BEEDRO CC(=[NH+]N[C@H](C)CC#N)c1ccccc1N(C)C ZINC000769584866 585559943 /nfs/dbraw/zinc/55/99/43/585559943.db2.gz JYECBDZBXQWUJF-LLVKDONJSA-N 1 0 244.342 2.368 20 30 BEEDRO C=C(C)C[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769787720 585563243 /nfs/dbraw/zinc/56/32/43/585563243.db2.gz RSIYMWBAGDDNLF-UHFFFAOYSA-N 1 0 240.347 2.114 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000769945212 585566936 /nfs/dbraw/zinc/56/69/36/585566936.db2.gz RLIKTPYNNNOPEE-BXUZGUMPSA-N 1 0 242.322 2.403 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000769954109 585567183 /nfs/dbraw/zinc/56/71/83/585567183.db2.gz RGOQIFFEVBLILW-NSHDSACASA-N 1 0 215.296 2.170 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000770028683 585569793 /nfs/dbraw/zinc/56/97/93/585569793.db2.gz MMPLNHREOXOCRT-CYBMUJFWSA-N 1 0 231.343 2.013 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000810027013 585571515 /nfs/dbraw/zinc/57/15/15/585571515.db2.gz UPCUSPDWWQOSMR-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000770672568 585579339 /nfs/dbraw/zinc/57/93/39/585579339.db2.gz AIQQTIWULXCXSO-ZYHUDNBSSA-N 1 0 246.310 2.183 20 30 BEEDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000770672567 585579406 /nfs/dbraw/zinc/57/94/06/585579406.db2.gz AIQQTIWULXCXSO-PWSUYJOCSA-N 1 0 246.310 2.183 20 30 BEEDRO OC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC000771809553 585600844 /nfs/dbraw/zinc/60/08/44/585600844.db2.gz UIJTXIWHJMOCPS-CQSZACIVSA-N 1 0 249.741 2.052 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)OCC[NH+](CC)CC ZINC000772363069 585613484 /nfs/dbraw/zinc/61/34/84/585613484.db2.gz KKIUPFLNNQJJAD-GFCCVEGCSA-N 1 0 227.348 2.474 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030907 585629658 /nfs/dbraw/zinc/62/96/58/585629658.db2.gz YIJIOQJJEANBHD-NXEZZACHSA-N 1 0 236.290 2.210 20 30 BEEDRO CC(C)c1nccnc1N=NC(C)CC[NH+](C)C ZINC000773077310 585630937 /nfs/dbraw/zinc/63/09/37/585630937.db2.gz FOYHVAGKAMYJFV-UHFFFAOYSA-N 1 0 249.362 2.340 20 30 BEEDRO CC(C)c1nccnc1N=NC1C[C@@H](C)[N@H+](C)C1 ZINC000773089862 585631009 /nfs/dbraw/zinc/63/10/09/585631009.db2.gz BYHCBFPZIUKZSN-SNVBAGLBSA-N 1 0 247.346 2.092 20 30 BEEDRO C#CCCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000773314705 585634948 /nfs/dbraw/zinc/63/49/48/585634948.db2.gz CGZYLVHWGCHXPL-GFCCVEGCSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CCCCCC(=O)NCC[N@@H+](C)CCCC ZINC000773375154 585635426 /nfs/dbraw/zinc/63/54/26/585635426.db2.gz KVYYYABZMXYCQP-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=C(CC)C[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000773420521 585636441 /nfs/dbraw/zinc/63/64/41/585636441.db2.gz LQIRDJDUNZMVAR-UHFFFAOYSA-N 1 0 232.327 2.184 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(OC)cc1C ZINC000773909936 585646414 /nfs/dbraw/zinc/64/64/14/585646414.db2.gz WDXFOBQXPHVYAY-UHFFFAOYSA-N 1 0 248.326 2.060 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000774157035 585652276 /nfs/dbraw/zinc/65/22/76/585652276.db2.gz GOVCJWUCLXRMKV-FRRDWIJNSA-N 1 0 244.342 2.080 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000774156914 585652291 /nfs/dbraw/zinc/65/22/91/585652291.db2.gz GOVCJWUCLXRMKV-AGIUHOORSA-N 1 0 244.342 2.080 20 30 BEEDRO CCc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)[nH]n1 ZINC000774188884 585653038 /nfs/dbraw/zinc/65/30/38/585653038.db2.gz KFMYQLPCDQRCEO-PWSUYJOCSA-N 1 0 232.331 2.144 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000774269097 585655460 /nfs/dbraw/zinc/65/54/60/585655460.db2.gz HOWQCDHUQVSHGK-QWRGUYRKSA-N 1 0 233.290 2.393 20 30 BEEDRO COC[C@@H](C)N[NH+]=C1CCCNc2ccccc21 ZINC000774400507 585657530 /nfs/dbraw/zinc/65/75/30/585657530.db2.gz VRGDIOCAPHWQEZ-LLVKDONJSA-N 1 0 247.342 2.221 20 30 BEEDRO CN(C)c1ccc(C=[NH+]OC2CCOCC2)cc1 ZINC000774443225 585659332 /nfs/dbraw/zinc/65/93/32/585659332.db2.gz XRCVZMJJZFILRW-UHFFFAOYSA-N 1 0 248.326 2.282 20 30 BEEDRO C1CCC(ON=C2CC[N@@H+]3CCC[C@@H]23)C1 ZINC000774596340 585661580 /nfs/dbraw/zinc/66/15/80/585661580.db2.gz CTGUKXWWHVBKDD-LBPRGKRZSA-N 1 0 208.305 2.170 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000774828603 585666844 /nfs/dbraw/zinc/66/68/44/585666844.db2.gz WCPIEFFPUIXDFA-AWEZNQCLSA-N 1 0 249.354 2.278 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000775184068 585672764 /nfs/dbraw/zinc/67/27/64/585672764.db2.gz UTHAPGIOQVPYMB-NSHDSACASA-N 1 0 203.285 2.154 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000775185189 585672773 /nfs/dbraw/zinc/67/27/73/585672773.db2.gz YUQHOKFYOTUTRY-NSHDSACASA-N 1 0 233.311 2.244 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OCC)cc1O ZINC000775185122 585673054 /nfs/dbraw/zinc/67/30/54/585673054.db2.gz YUQHOKFYOTUTRY-LLVKDONJSA-N 1 0 233.311 2.244 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCC)c1O ZINC000775182026 585673068 /nfs/dbraw/zinc/67/30/68/585673068.db2.gz AKKXCDCKVRQBDG-NSHDSACASA-N 1 0 233.311 2.244 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1C)[C@H]1CCCO1 ZINC000775340870 585676189 /nfs/dbraw/zinc/67/61/89/585676189.db2.gz ISWAQVBBUXRLDG-LSDHHAIUSA-N 1 0 229.323 2.265 20 30 BEEDRO C#CC[C@H]([NH2+]CCN1CCCC1)c1ccccc1 ZINC000775398743 585677517 /nfs/dbraw/zinc/67/75/17/585677517.db2.gz ATUUSFYTCGIBNS-INIZCTEOSA-N 1 0 242.366 2.436 20 30 BEEDRO C#CCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000775552271 585679417 /nfs/dbraw/zinc/67/94/17/585679417.db2.gz HKDDPPRFQVTMDD-UHFFFAOYSA-N 1 0 229.279 2.017 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccs1)[C@@H]1CCCO1 ZINC000775571288 585680208 /nfs/dbraw/zinc/68/02/08/585680208.db2.gz DSVDOZOEMLYNBH-XBFCOCLRSA-N 1 0 249.379 2.450 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000775663227 585682672 /nfs/dbraw/zinc/68/26/72/585682672.db2.gz RUPKPBRCJUTWJC-ZDUSSCGKSA-N 1 0 239.359 2.428 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775800471 585685600 /nfs/dbraw/zinc/68/56/00/585685600.db2.gz SGIGFYZDIMQVJI-HZPDHXFCSA-N 1 0 243.350 2.308 20 30 BEEDRO C=CC[N@@H+](CCCn1ccnc1)C(C)C ZINC000775940952 585688372 /nfs/dbraw/zinc/68/83/72/585688372.db2.gz IRWFQGLRIAJJAA-UHFFFAOYSA-N 1 0 207.321 2.170 20 30 BEEDRO CN(Cc1ccc(Cl)nc1)CC1(C#N)CC1 ZINC000775972400 585688516 /nfs/dbraw/zinc/68/85/16/585688516.db2.gz KJPVVYZKFWIQOE-UHFFFAOYSA-N 1 0 235.718 2.471 20 30 BEEDRO CCC(CC)N[NH+]=Cc1cnccc1N(C)C ZINC000776186831 585692085 /nfs/dbraw/zinc/69/20/85/585692085.db2.gz VCSCQPNSFJDOCM-UHFFFAOYSA-N 1 0 234.347 2.260 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NO[C@H]1CCCCO1 ZINC000776188320 585692495 /nfs/dbraw/zinc/69/24/95/585692495.db2.gz ZJVJBZKVJWQWGZ-ZDUSSCGKSA-N 1 0 249.314 2.025 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1CCC(C)(C)C#N ZINC000776604665 585702507 /nfs/dbraw/zinc/70/25/07/585702507.db2.gz DLMKDHWQWUFTAO-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C[NH+]1CCCCCC1)=NNCC(F)F ZINC000777436813 585711917 /nfs/dbraw/zinc/71/19/17/585711917.db2.gz BVARBHVXARGMML-UHFFFAOYSA-N 1 0 233.306 2.093 20 30 BEEDRO COC[C@H](C)N[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000777893679 585722513 /nfs/dbraw/zinc/72/25/13/585722513.db2.gz AWGNCTUHSFADFR-NSHDSACASA-N 1 0 249.358 2.101 20 30 BEEDRO CCCCCCC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000778138025 585726149 /nfs/dbraw/zinc/72/61/49/585726149.db2.gz NXNSFYGNSZKXLJ-CYBMUJFWSA-N 1 0 239.363 2.014 20 30 BEEDRO CCCCCCC[N@@H+]1CCN(C)C(=O)[C@H]1C ZINC000778254350 585729603 /nfs/dbraw/zinc/72/96/03/585729603.db2.gz XLWLWTLURFSEGN-GFCCVEGCSA-N 1 0 226.364 2.119 20 30 BEEDRO CC(C)OCCN[NH+]=Cc1ccc(N(C)C)cc1 ZINC000778553284 585737205 /nfs/dbraw/zinc/73/72/05/585737205.db2.gz ASEVMIIYFGRIBA-UHFFFAOYSA-N 1 0 249.358 2.101 20 30 BEEDRO CC(=[NH+]NCCOC(C)C)c1ccc(N)cc1 ZINC000778550347 585737226 /nfs/dbraw/zinc/73/72/26/585737226.db2.gz BASFUYLSNBNMAI-UHFFFAOYSA-N 1 0 235.331 2.007 20 30 BEEDRO CCOc1ccc(C#N)cc1NCc1ncc[nH]1 ZINC000779588592 585756550 /nfs/dbraw/zinc/75/65/50/585756550.db2.gz BPGQRPTYEBDWJH-UHFFFAOYSA-N 1 0 242.282 2.292 20 30 BEEDRO CC[C@@H]1C[C@H](C)CCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779793213 585763844 /nfs/dbraw/zinc/76/38/44/585763844.db2.gz XUONFGHEXSGEBD-GMTAPVOTSA-N 1 0 236.363 2.126 20 30 BEEDRO CCC[C@H](C)C(CC)=NNC1=[NH+][C@H](C)CN1 ZINC000779793810 585764020 /nfs/dbraw/zinc/76/40/20/585764020.db2.gz AGYCDBSRHTXJIF-VHSXEESVSA-N 1 0 224.352 2.126 20 30 BEEDRO CCCC[C@H]1CCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779792487 585764086 /nfs/dbraw/zinc/76/40/86/585764086.db2.gz SFJOKALVGOYQFL-QWRGUYRKSA-N 1 0 236.363 2.270 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N=Nc2ccncc2)CC1 ZINC000779812045 585766336 /nfs/dbraw/zinc/76/63/36/585766336.db2.gz XMBWUGQKYZVHEC-UHFFFAOYSA-N 1 0 246.358 2.166 20 30 BEEDRO CC(=NNc1ccncc1)c1cnn(C(C)C)c1 ZINC000779812095 585766368 /nfs/dbraw/zinc/76/63/68/585766368.db2.gz YWOHSXGEENUVCT-UHFFFAOYSA-N 1 0 243.314 2.117 20 30 BEEDRO CCC(=NNc1ccncc1)c1ccc(O)cc1 ZINC000779812199 585766447 /nfs/dbraw/zinc/76/64/47/585766447.db2.gz OKISFHQOPPNGGJ-UHFFFAOYSA-N 1 0 241.294 2.435 20 30 BEEDRO CCn1c(C)cc(C=NNc2ccncc2)c1C ZINC000779811968 585766544 /nfs/dbraw/zinc/76/65/44/585766544.db2.gz NTALEBKXITXXAX-UHFFFAOYSA-N 1 0 242.326 2.388 20 30 BEEDRO C#CCCCCCC(=O)NCC[NH+](CC)CC ZINC000780333934 585778058 /nfs/dbraw/zinc/77/80/58/585778058.db2.gz RYXUMNLBGKMBIL-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C#CCCCCCC(=O)NCCCC[NH+](C)C ZINC000780695197 585783261 /nfs/dbraw/zinc/78/32/61/585783261.db2.gz HEDZGNVKJJJZCK-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO CC[C@H](C#N)OC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000781186133 585792514 /nfs/dbraw/zinc/79/25/14/585792514.db2.gz GLCNQLKGBRJFQS-WISYIIOYSA-N 1 0 238.331 2.093 20 30 BEEDRO Fc1cccc(C2CC(=[NH+]n3cnnc3)C2)c1 ZINC000781573955 585799083 /nfs/dbraw/zinc/79/90/83/585799083.db2.gz LESDFPRXOJZUSU-UHFFFAOYSA-N 1 0 230.246 2.199 20 30 BEEDRO C#CCCN1CC[NH+](CCCC(C)(C)C)CC1 ZINC000781904119 585804928 /nfs/dbraw/zinc/80/49/28/585804928.db2.gz MBTFTSBUWVFVTG-UHFFFAOYSA-N 1 0 236.403 2.454 20 30 BEEDRO CC1(C)CCC[C@H]1N=NC1CC[N@@H+]2CCC[C@H]12 ZINC000782289966 585814099 /nfs/dbraw/zinc/81/40/99/585814099.db2.gz YMHFBHICDMJQPI-CHWSQXEVSA-N 1 0 235.375 2.379 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccccc1O ZINC000783525154 585836116 /nfs/dbraw/zinc/83/61/16/585836116.db2.gz GPIWGFRHJCKIPD-VXGBXAGGSA-N 1 0 235.327 2.227 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748662 585838573 /nfs/dbraw/zinc/83/85/73/585838573.db2.gz QTIRMCBEXBEQOY-TZMCWYRMSA-N 1 0 245.326 2.147 20 30 BEEDRO C#CCCC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000805751772 585842731 /nfs/dbraw/zinc/84/27/31/585842731.db2.gz PKCBUKWMNLPWQX-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000785998635 585884820 /nfs/dbraw/zinc/88/48/20/585884820.db2.gz JKOLYXSLVZMWAE-RYUDHWBXSA-N 1 0 235.327 2.123 20 30 BEEDRO C[C@H]1CC(=NNC2CCCCC2)CC[N@@H+]1C ZINC000786041886 585886086 /nfs/dbraw/zinc/88/60/86/585886086.db2.gz DTTQZSOIWOYWHZ-NSHDSACASA-N 1 0 223.364 2.379 20 30 BEEDRO C#CCC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820338 585897822 /nfs/dbraw/zinc/89/78/22/585897822.db2.gz KYEWAGBXWNVIJB-CABCVRRESA-N 1 0 245.366 2.496 20 30 BEEDRO CC#CCCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000786878176 585898369 /nfs/dbraw/zinc/89/83/69/585898369.db2.gz DCLJQTAGXRVCKY-CQSZACIVSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CC(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000787509288 585910740 /nfs/dbraw/zinc/91/07/40/585910740.db2.gz SCPGLBIADIHCGY-UHFFFAOYSA-N 1 0 230.311 2.100 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(N=NC2CCCC2)C1 ZINC000788427320 585922975 /nfs/dbraw/zinc/92/29/75/585922975.db2.gz JEZDPUZYHZPWAM-ZDUSSCGKSA-N 1 0 223.364 2.379 20 30 BEEDRO Cc1ccc(N=NC2CCC[C@@H]([NH+](C)C)C2)nn1 ZINC000788429292 585923085 /nfs/dbraw/zinc/92/30/85/585923085.db2.gz HKLIZBQDMFFTFP-GFCCVEGCSA-N 1 0 247.346 2.057 20 30 BEEDRO CC[C@H](C)NN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000788441434 585923785 /nfs/dbraw/zinc/92/37/85/585923785.db2.gz SGFHLJMRDMGUNO-CMPLNLGQSA-N 1 0 211.353 2.235 20 30 BEEDRO CC1=C[C@H](C)C[C@H](C=[NH+]n2cnnc2)C1 ZINC000789639144 585947608 /nfs/dbraw/zinc/94/76/08/585947608.db2.gz IEAYOSGRDUSFHD-ONGXEEELSA-N 1 0 204.277 2.104 20 30 BEEDRO CC[C@@H](C)NN=C1CC[N@H+](CC)C[C@@H]1C ZINC000790181954 585959819 /nfs/dbraw/zinc/95/98/19/585959819.db2.gz HCMKFDKHPICYKO-WDEREUQCSA-N 1 0 211.353 2.092 20 30 BEEDRO Cc1cccnc1N=NC1C[N@H+](C2CC2)C[C@@H]1C ZINC000790184782 585960120 /nfs/dbraw/zinc/96/01/20/585960120.db2.gz BQITWCDJXLHESM-NSHDSACASA-N 1 0 244.342 2.272 20 30 BEEDRO C=CC[N@@H+](CCC(=O)Nc1cccnc1)C(C)C ZINC000792206561 585998165 /nfs/dbraw/zinc/99/81/65/585998165.db2.gz NNZDJCBIYZPEBI-UHFFFAOYSA-N 1 0 247.342 2.307 20 30 BEEDRO CCCCCCCCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000792238189 585998528 /nfs/dbraw/zinc/99/85/28/585998528.db2.gz XZBHIDXIGSRLLH-OKILXGFUSA-N 1 0 243.391 2.165 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccn(CC)c1 ZINC000792314369 585999807 /nfs/dbraw/zinc/99/98/07/585999807.db2.gz SDWJGOWVRYRCHX-UHFFFAOYSA-N 1 0 204.317 2.353 20 30 BEEDRO C#CCCC[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000792376260 586000190 /nfs/dbraw/zinc/00/01/90/586000190.db2.gz LMLDBLWYUMRFQP-ZDUSSCGKSA-N 1 0 239.359 2.454 20 30 BEEDRO C=CC[N@@H+](CCC(C)(C)C(=O)OC)C(C)C ZINC000792795792 586005468 /nfs/dbraw/zinc/00/54/68/586005468.db2.gz VGZACHNMZVZCBK-UHFFFAOYSA-N 1 0 227.348 2.472 20 30 BEEDRO CC[C@@H](C)CON=C1CC[N@@H+]2CCC[C@@H]12 ZINC000793144907 586011495 /nfs/dbraw/zinc/01/14/95/586011495.db2.gz GGLGIZNZDOUVAM-PWSUYJOCSA-N 1 0 210.321 2.273 20 30 BEEDRO CSCCON=C1CCC[C@@H]([NH+](C)C)C1 ZINC000794572141 586044287 /nfs/dbraw/zinc/04/42/87/586044287.db2.gz BGOHMLRRUWKALA-LLVKDONJSA-N 1 0 230.377 2.226 20 30 BEEDRO CC[N@@H+]1CCC(=NOCCSC)[C@H](C)C1 ZINC000794573431 586044614 /nfs/dbraw/zinc/04/46/14/586044614.db2.gz BFIVZJHAXBWVPJ-SNVBAGLBSA-N 1 0 230.377 2.084 20 30 BEEDRO CC#CC[NH2+][C@@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794599942 586045327 /nfs/dbraw/zinc/04/53/27/586045327.db2.gz IKRSRVQZQXISFC-GJZGRUSLSA-N 1 0 231.339 2.358 20 30 BEEDRO C=CCN(CCC#N)C[C@@H](O)c1ccccc1C ZINC000794733993 586047681 /nfs/dbraw/zinc/04/76/81/586047681.db2.gz JGXKJTWCOLVHSV-OAHLLOKOSA-N 1 0 244.338 2.430 20 30 BEEDRO CCO[NH+]=Cc1c(C)nn(-c2ccccc2)c1N ZINC000794886304 586052849 /nfs/dbraw/zinc/05/28/49/586052849.db2.gz ICGNUCZRBHDVSA-UHFFFAOYSA-N 1 0 244.298 2.133 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794982969 586061005 /nfs/dbraw/zinc/06/10/05/586061005.db2.gz JMVQTYBGGRDAAK-ITGUQSILSA-N 1 0 237.343 2.084 20 30 BEEDRO COCCCO[NH+]=C(C)c1ccc(N)cc1C ZINC000795051315 586067368 /nfs/dbraw/zinc/06/73/68/586067368.db2.gz NWHMMILXOPUZNA-UHFFFAOYSA-N 1 0 236.315 2.354 20 30 BEEDRO C=C(C)CCON=C(N)C[N@H+]1CCCC[C@H]1C ZINC000795209826 586072182 /nfs/dbraw/zinc/07/21/82/586072182.db2.gz PSNSRDIQKPYLCY-GFCCVEGCSA-N 1 0 239.363 2.325 20 30 BEEDRO N#CCSCCC[NH+]1CCC(F)(F)CC1 ZINC000796537900 586106029 /nfs/dbraw/zinc/10/60/29/586106029.db2.gz LYOMUHDLUIXFJL-UHFFFAOYSA-N 1 0 234.315 2.364 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1CC(C)(C)C1 ZINC000796988042 586118573 /nfs/dbraw/zinc/11/85/73/586118573.db2.gz GLUNVHPWTDHQNU-CYBMUJFWSA-N 1 0 249.354 2.063 20 30 BEEDRO Cc1cccc(C[NH2+]CC2(CC#N)CC2)c1O ZINC000797604122 586129319 /nfs/dbraw/zinc/12/93/19/586129319.db2.gz KQODPRLNLUYJRC-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO COc1ccc(O)c(C[NH2+]CC2(CC#N)CC2)c1 ZINC000797604609 586129529 /nfs/dbraw/zinc/12/95/29/586129529.db2.gz ZDAJIQPHRYBYAD-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000798086830 586136708 /nfs/dbraw/zinc/13/67/08/586136708.db2.gz VNOGRSNUJVGDDA-IHRRRGAJSA-N 1 0 237.343 2.250 20 30 BEEDRO C#CCOc1ccccc1C[NH+]1CC(C)C1 ZINC000798182357 586138751 /nfs/dbraw/zinc/13/87/51/586138751.db2.gz FNOCIFIIMBEXCV-UHFFFAOYSA-N 1 0 215.296 2.150 20 30 BEEDRO C=C[C@H](CC)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798847096 586151370 /nfs/dbraw/zinc/15/13/70/586151370.db2.gz GMSZIJFKAFGUEJ-MNOVXSKESA-N 1 0 213.321 2.080 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798851556 586151624 /nfs/dbraw/zinc/15/16/24/586151624.db2.gz CBXRCJUZZVUZOA-GHMZBOCLSA-N 1 0 213.321 2.080 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798851557 586151663 /nfs/dbraw/zinc/15/16/63/586151663.db2.gz CBXRCJUZZVUZOA-MNOVXSKESA-N 1 0 213.321 2.080 20 30 BEEDRO COc1ccccc1CON=C1C[C@@H](C)[N@H+](C)C1 ZINC000799116806 586158410 /nfs/dbraw/zinc/15/84/10/586158410.db2.gz BCNKKATWBWZAEZ-LLVKDONJSA-N 1 0 248.326 2.292 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197349 586167460 /nfs/dbraw/zinc/16/74/60/586167460.db2.gz WTVPARQFLVPVDG-KGLIPLIRSA-N 1 0 246.354 2.198 20 30 BEEDRO CCOC(CC[NH2+][C@@H]1CC[C@@H](C#N)C1)OCC ZINC000799724752 586193309 /nfs/dbraw/zinc/19/33/09/586193309.db2.gz IIAZPSDSLBXQEA-VXGBXAGGSA-N 1 0 240.347 2.057 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000799717875 586194001 /nfs/dbraw/zinc/19/40/01/586194001.db2.gz VSSCWGQHPJXTAH-GZBFAFLISA-N 1 0 244.338 2.310 20 30 BEEDRO C#CCC[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000859381200 589035049 /nfs/dbraw/zinc/03/50/49/589035049.db2.gz IPGQFWDDTYBUAM-CQSZACIVSA-N 1 0 237.343 2.206 20 30 BEEDRO C#CCC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000859413356 589035596 /nfs/dbraw/zinc/03/55/96/589035596.db2.gz DEGPIIAYZQZTHB-UWVGGRQHSA-N 1 0 201.260 2.233 20 30 BEEDRO C#CCC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859413354 589036031 /nfs/dbraw/zinc/03/60/31/589036031.db2.gz DEGPIIAYZQZTHB-AOOOYVTPSA-N 1 0 201.260 2.233 20 30 BEEDRO FCCC[C@@H]1CCCC1=[NH+]n1cnnc1 ZINC000800803637 586229965 /nfs/dbraw/zinc/22/99/65/586229965.db2.gz JRDPHQLDUZZITP-VIFPVBQESA-N 1 0 210.256 2.032 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000859445682 589037378 /nfs/dbraw/zinc/03/73/78/589037378.db2.gz MXZKEENEBYQWQK-LBPRGKRZSA-N 1 0 234.347 2.004 20 30 BEEDRO C=CC[C@H]1CC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)C1 ZINC000859445105 589037699 /nfs/dbraw/zinc/03/76/99/589037699.db2.gz BDUTZQHVAJQQTN-STQMWFEESA-N 1 0 249.354 2.370 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000801932055 586278464 /nfs/dbraw/zinc/27/84/64/586278464.db2.gz GEXFYPOCUBFLED-NEPJUHHUSA-N 1 0 248.326 2.314 20 30 BEEDRO C[C@H](C#N)OCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000801932861 586278591 /nfs/dbraw/zinc/27/85/91/586278591.db2.gz ZWNPLULRPCRVQJ-LLVKDONJSA-N 1 0 248.301 2.333 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000801932057 586278686 /nfs/dbraw/zinc/27/86/86/586278686.db2.gz GEXFYPOCUBFLED-RYUDHWBXSA-N 1 0 248.326 2.314 20 30 BEEDRO C#CC[C@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000801937384 586279583 /nfs/dbraw/zinc/27/95/83/586279583.db2.gz LMJABBFQANPEHS-ZFWWWQNUSA-N 1 0 242.322 2.269 20 30 BEEDRO C#CC[C@H]([NH2+]CCO[C@H](C)C#N)c1ccccc1 ZINC000801937382 586279637 /nfs/dbraw/zinc/27/96/37/586279637.db2.gz LMJABBFQANPEHS-HIFRSBDPSA-N 1 0 242.322 2.269 20 30 BEEDRO C[C@H](c1ccccn1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801936219 586279736 /nfs/dbraw/zinc/27/97/36/586279736.db2.gz QTLIEKXETJDGQI-NWDGAFQWSA-N 1 0 233.315 2.003 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000801940046 586280936 /nfs/dbraw/zinc/28/09/36/586280936.db2.gz XTJRVQRSKFNQCH-CRWXNKLISA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000801953355 586283936 /nfs/dbraw/zinc/28/39/36/586283936.db2.gz MLZZDFLUHHBXTI-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC000859530467 589042677 /nfs/dbraw/zinc/04/26/77/589042677.db2.gz QOCFEONVUOAQAN-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@@H]2CCC[C@H]2C1=O ZINC000839998278 586345155 /nfs/dbraw/zinc/34/51/55/586345155.db2.gz HNJBBZOUHOMPOW-QWHCGFSZSA-N 1 0 236.359 2.100 20 30 BEEDRO C=CCCCCC[N@@H+](C)CN1CC[C@@H](C)C1=O ZINC000840008309 586365885 /nfs/dbraw/zinc/36/58/85/586365885.db2.gz UJMWSWFYAUNLBH-CYBMUJFWSA-N 1 0 238.375 2.491 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)nc1 ZINC000806161844 586406503 /nfs/dbraw/zinc/40/65/03/586406503.db2.gz UWRBOJQJOHFWRV-UONOGXRCSA-N 1 0 227.311 2.231 20 30 BEEDRO C=CCC[N@@H+](C)CN1C(=O)[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000840056137 586406536 /nfs/dbraw/zinc/40/65/36/586406536.db2.gz YPXQNJKQLRFCCY-KBPBESRZSA-N 1 0 248.370 2.099 20 30 BEEDRO C#Cc1ccc(CN2CCC([NH+](C)C)CC2)cc1 ZINC000809547254 586506654 /nfs/dbraw/zinc/50/66/54/586506654.db2.gz NJDMNPDKROPSES-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000809570802 586507085 /nfs/dbraw/zinc/50/70/85/586507085.db2.gz URCIGSQGGXIBGM-ZIAGYGMSSA-N 1 0 230.311 2.098 20 30 BEEDRO CC(C)C[N@H+](C[C@H](O)CC#N)CC(C)(C)C ZINC000809576826 586507839 /nfs/dbraw/zinc/50/78/39/586507839.db2.gz GRPWOSGMWVAYNT-GFCCVEGCSA-N 1 0 226.364 2.265 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2CCC(C)(O)CC2)cc1 ZINC000809625206 586509958 /nfs/dbraw/zinc/50/99/58/586509958.db2.gz ZWMLPUJRWYUEAP-UHFFFAOYSA-N 1 0 243.350 2.451 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2cc(C)ncn2)cc1 ZINC000809629625 586509975 /nfs/dbraw/zinc/50/99/75/586509975.db2.gz AEFKLPNJDOWFOB-UHFFFAOYSA-N 1 0 237.306 2.056 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN2CC[C@H](C)C2)cc1 ZINC000809633976 586510401 /nfs/dbraw/zinc/51/04/01/586510401.db2.gz YOADJMMUPAFHDR-AWEZNQCLSA-N 1 0 242.366 2.099 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000809648974 586510530 /nfs/dbraw/zinc/51/05/30/586510530.db2.gz OQYNTUMIRKRBPN-HNNXBMFYSA-N 1 0 227.307 2.450 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000809684044 586512233 /nfs/dbraw/zinc/51/22/33/586512233.db2.gz YNSONEMQKNEZSK-JYKYSHPRSA-N 1 0 230.267 2.219 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809684197 586512368 /nfs/dbraw/zinc/51/23/68/586512368.db2.gz REXIKVBYQQDXCL-NEPJUHHUSA-N 1 0 228.295 2.089 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000809992038 586529344 /nfs/dbraw/zinc/52/93/44/586529344.db2.gz QWCDSNNWZGABIB-AWEZNQCLSA-N 1 0 231.339 2.359 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000811961941 586569169 /nfs/dbraw/zinc/56/91/69/586569169.db2.gz HPSUSKMGAZHZSS-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCOC(=O)CCCC#N ZINC000812616442 586580640 /nfs/dbraw/zinc/58/06/40/586580640.db2.gz CQIRYMDOULBBJI-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000814117604 586614167 /nfs/dbraw/zinc/61/41/67/586614167.db2.gz WMNXAZVTHYQIOU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C(=[NH+]n1cnc2ccccc21)[C@@H]1CCCOC1 ZINC000814779777 586633826 /nfs/dbraw/zinc/63/38/26/586633826.db2.gz SEBYUPHOYVAUBM-NSHDSACASA-N 1 0 229.283 2.297 20 30 BEEDRO C=CCCC(CCC)=NNC1=[NH+][C@@H](C)CN1 ZINC000814897128 586645138 /nfs/dbraw/zinc/64/51/38/586645138.db2.gz FEXGLKWZHLXEST-JTQLQIEISA-N 1 0 222.336 2.046 20 30 BEEDRO Cc1cccc2c1OCC2=NNc1ccncc1 ZINC000814900430 586646283 /nfs/dbraw/zinc/64/62/83/586646283.db2.gz SPICTONHRNCVTD-UHFFFAOYSA-N 1 0 239.278 2.021 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccccc1O ZINC000815070002 586665114 /nfs/dbraw/zinc/66/51/14/586665114.db2.gz JGIMTQFNAVVUFI-UHFFFAOYSA-N 1 0 221.300 2.027 20 30 BEEDRO N#CCCOCC[NH2+]C1(c2ccccc2)CC1 ZINC000815083026 586666077 /nfs/dbraw/zinc/66/60/77/586666077.db2.gz LQXSEUJTRIFWKP-UHFFFAOYSA-N 1 0 230.311 2.196 20 30 BEEDRO C=CCC(F)(F)C(=O)OCCC[NH+]1CCCC1 ZINC000815314525 586678879 /nfs/dbraw/zinc/67/88/79/586678879.db2.gz WDQNECIBCVIXBT-UHFFFAOYSA-N 1 0 247.285 2.227 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@]1(C)CCCO1 ZINC000815618831 586689093 /nfs/dbraw/zinc/68/90/93/586689093.db2.gz VQYTYZSRKHPXHU-FZMZJTMJSA-N 1 0 245.326 2.000 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C ZINC000815652031 586690144 /nfs/dbraw/zinc/69/01/44/586690144.db2.gz LSEYDYLRFKNCCK-UONOGXRCSA-N 1 0 236.403 2.356 20 30 BEEDRO Cc1cc(NNC=CC(F)(F)F)[nH+]c(C)n1 ZINC000817323909 586794215 /nfs/dbraw/zinc/79/42/15/586794215.db2.gz XDVXBQKPLATUMS-UHFFFAOYSA-N 1 0 232.209 2.444 20 30 BEEDRO C#CCCC[NH2+][C@H](C)C1(OC)CCCC1 ZINC000817577545 586812788 /nfs/dbraw/zinc/81/27/88/586812788.db2.gz AWRDGGIEFAQWMN-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956766 586850796 /nfs/dbraw/zinc/85/07/96/586850796.db2.gz CICYKQYNOXTWJJ-HIFRSBDPSA-N 1 0 243.354 2.483 20 30 BEEDRO C#CCOc1ccc([C@H](C)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000817977238 586861965 /nfs/dbraw/zinc/86/19/65/586861965.db2.gz FIFILOHMBLJTHM-UPJWGTAASA-N 1 0 246.354 2.085 20 30 BEEDRO C=CC[NH2+]Cc1cc(C(OC)OC)ccc1F ZINC000818174160 586878547 /nfs/dbraw/zinc/87/85/47/586878547.db2.gz JEYZSDSRIJTOOX-UHFFFAOYSA-N 1 0 239.290 2.393 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000818224980 586880702 /nfs/dbraw/zinc/88/07/02/586880702.db2.gz VAOVSYPHMURTSU-JSGCOSHPSA-N 1 0 233.311 2.073 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]C[C@@H](C#N)CCC#N ZINC000818954178 586917214 /nfs/dbraw/zinc/91/72/14/586917214.db2.gz SVVJOGBARYXQCA-NWDGAFQWSA-N 1 0 231.299 2.244 20 30 BEEDRO Cc1ccccc1[C@@H](O)C[NH2+]CCCCC#N ZINC000819016760 586924547 /nfs/dbraw/zinc/92/45/47/586924547.db2.gz TUNQRRYAPXSFRO-AWEZNQCLSA-N 1 0 232.327 2.312 20 30 BEEDRO C=CC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccncc1 ZINC000819074577 586928764 /nfs/dbraw/zinc/92/87/64/586928764.db2.gz RLQPJFPIVPULAT-KBPBESRZSA-N 1 0 232.327 2.059 20 30 BEEDRO C=CC[C@@H]([NH2+]CC1(O)CCC1)c1ccncc1 ZINC000819074922 586929200 /nfs/dbraw/zinc/92/92/00/586929200.db2.gz WEJYRILHNGVWOP-CYBMUJFWSA-N 1 0 232.327 2.203 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000819115401 586931266 /nfs/dbraw/zinc/93/12/66/586931266.db2.gz ANGBBZUPSQDLIK-HIFRSBDPSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000819115402 586931432 /nfs/dbraw/zinc/93/14/32/586931432.db2.gz ANGBBZUPSQDLIK-UKRRQHHQSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000819156654 586934421 /nfs/dbraw/zinc/93/44/21/586934421.db2.gz JMVVBMKGGNRXBA-OAHLLOKOSA-N 1 0 249.329 2.122 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+]CC(C)(C)C#N)cc1 ZINC000819218633 586939974 /nfs/dbraw/zinc/93/99/74/586939974.db2.gz IVCFAPSSWHLQIM-CYBMUJFWSA-N 1 0 232.327 2.168 20 30 BEEDRO CCCCCC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000819280592 586947689 /nfs/dbraw/zinc/94/76/89/586947689.db2.gz KGQWMEOPCNTULS-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819283649 586947901 /nfs/dbraw/zinc/94/79/01/586947901.db2.gz LUSPZNPNPPTPMT-WCQYABFASA-N 1 0 238.306 2.198 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819345520 586955030 /nfs/dbraw/zinc/95/50/30/586955030.db2.gz HVVFJEBYDNXEEH-GFCCVEGCSA-N 1 0 238.306 2.056 20 30 BEEDRO C[C@@]1(CC[NH2+]CCC#N)CC1(Cl)Cl ZINC000819347510 586955274 /nfs/dbraw/zinc/95/52/74/586955274.db2.gz COLLIQIPJZCWBB-MRVPVSSYSA-N 1 0 221.131 2.464 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000819344152 586955316 /nfs/dbraw/zinc/95/53/16/586955316.db2.gz WVRLPAUVHXGSLN-QEJZJMRPSA-N 1 0 244.338 2.392 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000819357284 586956341 /nfs/dbraw/zinc/95/63/41/586956341.db2.gz OXMBMCDAMSOIGF-AWEZNQCLSA-N 1 0 231.339 2.165 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819362568 586956834 /nfs/dbraw/zinc/95/68/34/586956834.db2.gz AASSTEILCIUYQD-ZNMIVQPWSA-N 1 0 244.338 2.226 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2F)C1 ZINC000819383766 586959529 /nfs/dbraw/zinc/95/95/29/586959529.db2.gz OBBGPAYXDWCHMA-WDMOLILDSA-N 1 0 248.301 2.141 20 30 BEEDRO Cc1cc(NCCC#N)ccc1OCC[NH+](C)C ZINC000819491406 586969929 /nfs/dbraw/zinc/96/99/29/586969929.db2.gz GGQMIVKOPBSLOJ-UHFFFAOYSA-N 1 0 247.342 2.261 20 30 BEEDRO C#CC[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC000860103148 589080697 /nfs/dbraw/zinc/08/06/97/589080697.db2.gz LNPRWSRTOGRAGF-LBPRGKRZSA-N 1 0 233.286 2.257 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000820728610 587069264 /nfs/dbraw/zinc/06/92/64/587069264.db2.gz NNFRPEPOPAUMES-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCCCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821621589 587132812 /nfs/dbraw/zinc/13/28/12/587132812.db2.gz YLPKKRPYMUZBHA-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO C=C[C@H](C)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821628103 587133626 /nfs/dbraw/zinc/13/36/26/587133626.db2.gz ZTUUOARYCSEGQW-NSHDSACASA-N 1 0 233.311 2.480 20 30 BEEDRO C#CCCC[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000860186419 589088264 /nfs/dbraw/zinc/08/82/64/589088264.db2.gz BFUIFCVVNNHQPH-VXGBXAGGSA-N 1 0 237.343 2.062 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000822663806 587179754 /nfs/dbraw/zinc/17/97/54/587179754.db2.gz STZBUDNONVIMCE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000860208445 589089846 /nfs/dbraw/zinc/08/98/46/589089846.db2.gz XFKGEWCIAHZFSL-CQSZACIVSA-N 1 0 230.311 2.154 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H](C)[C@@H](C)[NH3+])n1 ZINC000823248288 587211435 /nfs/dbraw/zinc/21/14/35/587211435.db2.gz NWXZIFGRBRLYSL-DTWKUNHWSA-N 1 0 223.320 2.374 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2CC[NH2+][C@@H]2C)n1 ZINC000823248506 587211489 /nfs/dbraw/zinc/21/14/89/587211489.db2.gz QNSUERQKMUYVFK-NXEZZACHSA-N 1 0 235.331 2.389 20 30 BEEDRO C=CCCc1noc([C@@H]2CC[NH2+][C@H]2CC)n1 ZINC000823264405 587212292 /nfs/dbraw/zinc/21/22/92/587212292.db2.gz SHLYGTDKLUJJGY-ZJUUUORDSA-N 1 0 221.304 2.044 20 30 BEEDRO C=CCCc1noc([C@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000823263545 587212443 /nfs/dbraw/zinc/21/24/43/587212443.db2.gz JEARNHVIZYFHCD-MWLCHTKSSA-N 1 0 223.320 2.275 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)c2ccco2)CC1 ZINC000823630204 587233177 /nfs/dbraw/zinc/23/31/77/587233177.db2.gz FGKCGZWRRYOMJX-MBHSVXNSSA-N 1 0 248.326 2.375 20 30 BEEDRO C[C@@H](CC(C)(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000823802284 587240610 /nfs/dbraw/zinc/24/06/10/587240610.db2.gz XWHPOPOCPLUGTG-LBPRGKRZSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000823881618 587244301 /nfs/dbraw/zinc/24/43/01/587244301.db2.gz AJGIOMFOBSGJJW-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H]([NH2+]Cc1csc(C)c1)[C@H]1CCCO1 ZINC000824195472 587259743 /nfs/dbraw/zinc/25/97/43/587259743.db2.gz GIHGGYADAUTRPD-QWHCGFSZSA-N 1 0 235.352 2.327 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000824363610 587267622 /nfs/dbraw/zinc/26/76/22/587267622.db2.gz HHQFLPBWVJGWJP-NSHDSACASA-N 1 0 203.285 2.115 20 30 BEEDRO CCn1nc(C)c(C[NH2+]CC(C)(C)CCC#N)n1 ZINC000824395129 587269028 /nfs/dbraw/zinc/26/90/28/587269028.db2.gz APGUFHDMYJMCOC-UHFFFAOYSA-N 1 0 249.362 2.026 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824525742 587273109 /nfs/dbraw/zinc/27/31/09/587273109.db2.gz DANPZGZLAVWZJQ-MNOVXSKESA-N 1 0 205.305 2.272 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000824862434 587291004 /nfs/dbraw/zinc/29/10/04/587291004.db2.gz ZWEUOZMARCEOSI-MNOVXSKESA-N 1 0 238.718 2.168 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)oc1C ZINC000825168425 587307288 /nfs/dbraw/zinc/30/72/88/587307288.db2.gz JPFQCLXPFWGCFQ-ZDUSSCGKSA-N 1 0 223.316 2.313 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000825168585 587307421 /nfs/dbraw/zinc/30/74/21/587307421.db2.gz KCPGEVDDOXCDGJ-AWEZNQCLSA-N 1 0 249.354 2.426 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@@H](C)COC)c1 ZINC000825225976 587310405 /nfs/dbraw/zinc/31/04/05/587310405.db2.gz CQWLNISLLPJVGY-GFCCVEGCSA-N 1 0 217.312 2.040 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000825878593 587343425 /nfs/dbraw/zinc/34/34/25/587343425.db2.gz SENXLHUBXUUJTP-LBPRGKRZSA-N 1 0 231.343 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(CF)(CF)C1)C(C)C ZINC000825878135 587343461 /nfs/dbraw/zinc/34/34/61/587343461.db2.gz CISSUUUBUHUENB-LLVKDONJSA-N 1 0 215.287 2.322 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000826765011 587361532 /nfs/dbraw/zinc/36/15/32/587361532.db2.gz YFMUOCXNSYJLHT-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CCC)C1CCCCC1 ZINC000827515954 587384006 /nfs/dbraw/zinc/38/40/06/587384006.db2.gz KNFGELXUNKNUAZ-CQSZACIVSA-N 1 0 223.360 2.415 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CCC1)C1CCOCC1 ZINC000827558959 587387820 /nfs/dbraw/zinc/38/78/20/587387820.db2.gz BKQJVZLIKKRORD-RISCZKNCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC1CC1)C1CCOCC1 ZINC000827560253 587387901 /nfs/dbraw/zinc/38/79/01/587387901.db2.gz NWIKTMVTUFLJCK-FZMZJTMJSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(C)CCC1)C1CCOCC1 ZINC000827560632 587388419 /nfs/dbraw/zinc/38/84/19/587388419.db2.gz SUMDJSGBFFWBTN-CYBMUJFWSA-N 1 0 221.344 2.195 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1)C1CCOCC1 ZINC000827571288 587389390 /nfs/dbraw/zinc/38/93/90/587389390.db2.gz YLGGGLSXZCVFNM-HNNXBMFYSA-N 1 0 229.323 2.205 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)cc1 ZINC000827692732 587396846 /nfs/dbraw/zinc/39/68/46/587396846.db2.gz METPGUXWIICFRW-XJKSGUPXSA-N 1 0 243.350 2.118 20 30 BEEDRO CCC[C@H](O)C[N@H+](CCC#N)CC(C)C ZINC000827872620 587406600 /nfs/dbraw/zinc/40/66/00/587406600.db2.gz DVDOSAOFWNMUHN-LBPRGKRZSA-N 1 0 212.337 2.019 20 30 BEEDRO C#CCCN1CC[NH+]([C@@H](C)CC(C)C)CC1 ZINC000828519377 587447023 /nfs/dbraw/zinc/44/70/23/587447023.db2.gz OCFUCMUWBMPQKU-AWEZNQCLSA-N 1 0 222.376 2.062 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@H]1CCCO1 ZINC000828952572 587474958 /nfs/dbraw/zinc/47/49/58/587474958.db2.gz ARGTUEGTKWQYDJ-GRYCIOLGSA-N 1 0 243.297 2.192 20 30 BEEDRO C=CC[C@@H]1[N@H+](CC[S@](C)=O)CCCC1(C)C ZINC000829283976 587491272 /nfs/dbraw/zinc/49/12/72/587491272.db2.gz XAKXYRVMLWXHCL-LRDDRELGSA-N 1 0 243.416 2.432 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000829778665 587514890 /nfs/dbraw/zinc/51/48/90/587514890.db2.gz GHAKGFSTURBPPM-AWEZNQCLSA-N 1 0 245.370 2.272 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000829774824 587515382 /nfs/dbraw/zinc/51/53/82/587515382.db2.gz UPCMKNKHUXFCLU-CQSZACIVSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000829783781 587515817 /nfs/dbraw/zinc/51/58/17/587515817.db2.gz CAYSVCKBTOPKFT-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nccn2CC)C1 ZINC000829783865 587515886 /nfs/dbraw/zinc/51/58/86/587515886.db2.gz CPDQIHFUTAZGLO-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC2(O)CCCC2)C1 ZINC000829784646 587516236 /nfs/dbraw/zinc/51/62/36/587516236.db2.gz LFIMMNHWNKCJFR-ZDUSSCGKSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000829785708 587516409 /nfs/dbraw/zinc/51/64/09/587516409.db2.gz YJCVNBBYJPCEJS-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000829810365 587518644 /nfs/dbraw/zinc/51/86/44/587518644.db2.gz OTAVECOXWOOXAJ-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCC(=O)C(C)C)C1 ZINC000829816106 587519819 /nfs/dbraw/zinc/51/98/19/587519819.db2.gz ZKDALSQRDCBQHN-CYBMUJFWSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000830213552 587541594 /nfs/dbraw/zinc/54/15/94/587541594.db2.gz ISFURWXZRWCNDO-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000830321324 587545715 /nfs/dbraw/zinc/54/57/15/587545715.db2.gz GQCASLPTGHQCCP-GFCCVEGCSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC1CC[NH+](Cc2c(C)onc2CC)CC1 ZINC000830329718 587546444 /nfs/dbraw/zinc/54/64/44/587546444.db2.gz DAMBKDOBRMTPFE-UHFFFAOYSA-N 1 0 232.327 2.391 20 30 BEEDRO C#CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000830345698 587546579 /nfs/dbraw/zinc/54/65/79/587546579.db2.gz NRHYTRAMLPHLRY-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000830345736 587546818 /nfs/dbraw/zinc/54/68/18/587546818.db2.gz QPESMQPMOGFCBI-HNNXBMFYSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC1CC[NH+](CCCSCCOC)CC1 ZINC000830345706 587546843 /nfs/dbraw/zinc/54/68/43/587546843.db2.gz NWXJPIMDXCICOF-UHFFFAOYSA-N 1 0 241.400 2.101 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830853834 587573856 /nfs/dbraw/zinc/57/38/56/587573856.db2.gz AVLUZBWTLYMDRK-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCN(C(=O)NCCCCCC[NH3+])C(C)C ZINC000831256768 587594061 /nfs/dbraw/zinc/59/40/61/587594061.db2.gz JNDMUMJMPIKKOP-UHFFFAOYSA-N 1 0 241.379 2.112 20 30 BEEDRO C#CCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000832442374 587660413 /nfs/dbraw/zinc/66/04/13/587660413.db2.gz ITNNAYAQTOZBKU-UHFFFAOYSA-N 1 0 243.350 2.391 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1COC ZINC000832605568 587669069 /nfs/dbraw/zinc/66/90/69/587669069.db2.gz CXTYAMPWVKMGJY-SNVBAGLBSA-N 1 0 203.713 2.240 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](C)[NH+](C)C ZINC000832710772 587678758 /nfs/dbraw/zinc/67/87/58/587678758.db2.gz NTPYDMLPEADYDF-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](CC)c1ccncc1)[C@@H]1CCCO1 ZINC000834769184 587766537 /nfs/dbraw/zinc/76/65/37/587766537.db2.gz JGJPBVWLQSKHSO-KKUMJFAQSA-N 1 0 244.338 2.303 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](COC)C(C)C)c1 ZINC000834903830 587769852 /nfs/dbraw/zinc/76/98/52/587769852.db2.gz UAGWUEPEFFJRFA-OAHLLOKOSA-N 1 0 231.339 2.429 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2cnn(C)c2)c1 ZINC000834903002 587769869 /nfs/dbraw/zinc/76/98/69/587769869.db2.gz NGEGCMPISULJGO-LBPRGKRZSA-N 1 0 239.322 2.252 20 30 BEEDRO CCCCN[NH+]=C1CCc2cc(N)ccc21 ZINC000834940031 587771790 /nfs/dbraw/zinc/77/17/90/587771790.db2.gz BIUYIOLFDJUDSO-UHFFFAOYSA-N 1 0 217.316 2.309 20 30 BEEDRO C[C@H]1CNC(NN=C2CCCC23CCCCC3)=[NH+]1 ZINC000834971115 587774467 /nfs/dbraw/zinc/77/44/67/587774467.db2.gz USASLZJWXWLHGT-NSHDSACASA-N 1 0 248.374 2.414 20 30 BEEDRO CSCCO[NH+]=C1CCc2cc(N)ccc21 ZINC000834976427 587775283 /nfs/dbraw/zinc/77/52/83/587775283.db2.gz YRVORGYNAGAQNG-UHFFFAOYSA-N 1 0 236.340 2.299 20 30 BEEDRO C=C(C)CN[NH+]=C1CCCc2cc(N)ccc21 ZINC000834979275 587775413 /nfs/dbraw/zinc/77/54/13/587775413.db2.gz GPYCZDAZHGTSID-UHFFFAOYSA-N 1 0 229.327 2.475 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052942 587779669 /nfs/dbraw/zinc/77/96/69/587779669.db2.gz RELAGCRJUVUJBN-FMFIFOJESA-N 1 0 228.339 2.377 20 30 BEEDRO C#Cc1ccc(C[NH2+]C(C)(C)CN(C)C)cc1 ZINC000835070653 587780222 /nfs/dbraw/zinc/78/02/22/587780222.db2.gz UNAJFQWITUZUIS-UHFFFAOYSA-N 1 0 230.355 2.098 20 30 BEEDRO C=CCCC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000835598750 587808791 /nfs/dbraw/zinc/80/87/91/587808791.db2.gz IFOHCVJLRLOAKZ-YHWZYXNKSA-N 1 0 237.343 2.369 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCCCCCC1 ZINC000836925896 587843152 /nfs/dbraw/zinc/84/31/52/587843152.db2.gz VNKQTIDHSNMQFI-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO Cc1cc(N(C)C)ccc1C=[NH+]NCC(F)F ZINC000841624322 587961062 /nfs/dbraw/zinc/96/10/62/587961062.db2.gz CYOQJSMHOHXAOE-UHFFFAOYSA-N 1 0 241.285 2.250 20 30 BEEDRO CCC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@@H]1C[C@@H]1C ZINC000841634256 587963186 /nfs/dbraw/zinc/96/31/86/587963186.db2.gz WVHRGRWMMZJWIS-JULQROHOSA-N 1 0 248.374 2.268 20 30 BEEDRO C=CCN[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841638049 587964690 /nfs/dbraw/zinc/96/46/90/587964690.db2.gz OYDZEZJYNGNNBH-UHFFFAOYSA-N 1 0 217.316 2.171 20 30 BEEDRO CCCCCCCCCNC(=O)N[C@@H](C)C[NH3+] ZINC000841658584 587968706 /nfs/dbraw/zinc/96/87/06/587968706.db2.gz BHEWDZCPAUVOLO-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCC1=C(N=NC2=[NH+]CCN2)CCC1 ZINC000841660717 587969754 /nfs/dbraw/zinc/96/97/54/587969754.db2.gz GWSFXDZNYLQZRN-UHFFFAOYSA-N 1 0 234.347 2.192 20 30 BEEDRO C=CCCCCCCCNC(=O)N(C)CC[NH3+] ZINC000841904202 587982569 /nfs/dbraw/zinc/98/25/69/587982569.db2.gz JKNZHYNXKDAISY-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO C=CCCCCCCNC(=O)NC[C@H](C)C[NH3+] ZINC000841903213 587982673 /nfs/dbraw/zinc/98/26/73/587982673.db2.gz KTVMAAHJKLZYST-GFCCVEGCSA-N 1 0 241.379 2.017 20 30 BEEDRO C#CCC[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000842170599 588006319 /nfs/dbraw/zinc/00/63/19/588006319.db2.gz KCIGJPOAMODOJP-GFCCVEGCSA-N 1 0 209.358 2.227 20 30 BEEDRO CN1CCc2cc(C=[NH+]NC34CC(C3)C4)ccc21 ZINC000842546093 588040174 /nfs/dbraw/zinc/04/01/74/588040174.db2.gz PMTRQTULNBONLV-UHFFFAOYSA-N 1 0 241.338 2.155 20 30 BEEDRO C=CCCO[C@H](C)c1nc([C@@H](C)C[NH2+]C)no1 ZINC000842584061 588044240 /nfs/dbraw/zinc/04/42/40/588044240.db2.gz ZBFMCDZOHBZVII-VHSXEESVSA-N 1 0 239.319 2.046 20 30 BEEDRO C#CCCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000842592272 588044634 /nfs/dbraw/zinc/04/46/34/588044634.db2.gz HQUWGOLASGENNM-UHFFFAOYSA-N 1 0 233.315 2.144 20 30 BEEDRO C#CCCCCCc1nc(C2([NH3+])CCC2)no1 ZINC000842615893 588045725 /nfs/dbraw/zinc/04/57/25/588045725.db2.gz BKBBKVQQSSPGGD-UHFFFAOYSA-N 1 0 233.315 2.144 20 30 BEEDRO C=CCCCc1nc([C@@H]2CCC[NH2+]C2)no1 ZINC000842665893 588050546 /nfs/dbraw/zinc/05/05/46/588050546.db2.gz XZIQNXJBVFJQMD-SNVBAGLBSA-N 1 0 221.304 2.045 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnn1CC(C)C ZINC000842688424 588052835 /nfs/dbraw/zinc/05/28/35/588052835.db2.gz HJQOYOVJYIASKS-UHFFFAOYSA-N 1 0 233.359 2.432 20 30 BEEDRO C[C@@H](C[C@@H](O)c1cccs1)[NH2+]CCC#N ZINC000843108348 588081546 /nfs/dbraw/zinc/08/15/46/588081546.db2.gz SEVDLURAGNATBD-VHSXEESVSA-N 1 0 224.329 2.063 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000843235849 588095043 /nfs/dbraw/zinc/09/50/43/588095043.db2.gz WUGLKNIKFVCDQT-DTORHVGOSA-N 1 0 221.304 2.128 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000843408392 588106661 /nfs/dbraw/zinc/10/66/61/588106661.db2.gz DUPXOTKYTPJNLU-ZDUSSCGKSA-N 1 0 239.322 2.292 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843408434 588106703 /nfs/dbraw/zinc/10/67/03/588106703.db2.gz FGJJSSDDAFZWCW-SNVBAGLBSA-N 1 0 243.310 2.100 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000843424000 588107907 /nfs/dbraw/zinc/10/79/07/588107907.db2.gz NOFKUNILWOAKMG-GFCCVEGCSA-N 1 0 228.295 2.387 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000843422581 588107918 /nfs/dbraw/zinc/10/79/18/588107918.db2.gz GQXQWOREWIRXDC-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CCC[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000844349822 588186483 /nfs/dbraw/zinc/18/64/83/588186483.db2.gz DPGVMAVZAXIIBO-UHFFFAOYSA-N 1 0 244.338 2.293 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2snnc2C)C1 ZINC000844346098 588186572 /nfs/dbraw/zinc/18/65/72/588186572.db2.gz HRDNNYKCZIUDHY-NSHDSACASA-N 1 0 235.356 2.082 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371938 588188042 /nfs/dbraw/zinc/18/80/42/588188042.db2.gz SQKAQCOQVQMFBS-HNNXBMFYSA-N 1 0 244.338 2.490 20 30 BEEDRO C=C[C@H](C)ON=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000844621948 588209702 /nfs/dbraw/zinc/20/97/02/588209702.db2.gz QGLQAXXMMZSWKI-ZJUUUORDSA-N 1 0 208.305 2.190 20 30 BEEDRO C=C[C@@H](C)ON=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000844621945 588209721 /nfs/dbraw/zinc/20/97/21/588209721.db2.gz QGLQAXXMMZSWKI-NXEZZACHSA-N 1 0 208.305 2.190 20 30 BEEDRO C=C[C@@H](C)ON=C1C[N@H+](C(C)C)C[C@@H]1C ZINC000844621721 588209760 /nfs/dbraw/zinc/20/97/60/588209760.db2.gz LUHFQXCCWIROFY-WDEREUQCSA-N 1 0 210.321 2.294 20 30 BEEDRO C=C[C@H](C)ON=C1C[N@H+](C(C)C)C[C@H]1C ZINC000844621719 588209829 /nfs/dbraw/zinc/20/98/29/588209829.db2.gz LUHFQXCCWIROFY-MNOVXSKESA-N 1 0 210.321 2.294 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000845939901 588250932 /nfs/dbraw/zinc/25/09/32/588250932.db2.gz TZCSPLKIFNLLIG-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000845948341 588251147 /nfs/dbraw/zinc/25/11/47/588251147.db2.gz UQBOZGXGEJYISA-VXGBXAGGSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cnccn2)C1 ZINC000845949245 588251173 /nfs/dbraw/zinc/25/11/73/588251173.db2.gz OCGNKOISFAAKOL-OLZOCXBDSA-N 1 0 231.343 2.354 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C)OCCO2)C1 ZINC000845945839 588251365 /nfs/dbraw/zinc/25/13/65/588251365.db2.gz MVCVTZSRQKECCZ-RYUDHWBXSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCc2cnn(C)n2)C1 ZINC000845976398 588252260 /nfs/dbraw/zinc/25/22/60/588252260.db2.gz JMQVTZMSMBBZBZ-CHWSQXEVSA-N 1 0 248.374 2.082 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC000845986380 588252508 /nfs/dbraw/zinc/25/25/08/588252508.db2.gz UWMBBAAOEMLZRC-STQMWFEESA-N 1 0 248.374 2.441 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC1(C#N)CCCC1 ZINC000846011785 588253457 /nfs/dbraw/zinc/25/34/57/588253457.db2.gz ZEUKOBGAYDKOMD-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010264 588253558 /nfs/dbraw/zinc/25/35/58/588253558.db2.gz HUVBDCKIJQXEME-GXTWGEPZSA-N 1 0 247.386 2.143 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)N(C)OCC ZINC000846065003 588255351 /nfs/dbraw/zinc/25/53/51/588255351.db2.gz PNTOWRTZYCBRHW-GFCCVEGCSA-N 1 0 242.363 2.121 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000846103431 588256609 /nfs/dbraw/zinc/25/66/09/588256609.db2.gz XFEMUUMMUDYCKQ-UHFFFAOYSA-N 1 0 243.350 2.310 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H]1CC(C)(C)C ZINC000846373253 588265246 /nfs/dbraw/zinc/26/52/46/588265246.db2.gz XHVUADVCOCIYRJ-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCC[N@H+](CC)CC(=O)OC ZINC000106462280 588283259 /nfs/dbraw/zinc/28/32/59/588283259.db2.gz FLCPHBGYUQASBK-UHFFFAOYSA-N 1 0 215.337 2.452 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)NCCC)C(C)C ZINC000846776340 588287822 /nfs/dbraw/zinc/28/78/22/588287822.db2.gz OHWKRYIGUZTHFQ-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc2nonc2c1 ZINC000846867470 588293595 /nfs/dbraw/zinc/29/35/95/588293595.db2.gz HZDFLZMPRYJIID-UHFFFAOYSA-N 1 0 217.272 2.231 20 30 BEEDRO C#CC[N@H+](C)CCCc1c(F)cccc1F ZINC000846874229 588294965 /nfs/dbraw/zinc/29/49/65/588294965.db2.gz WWHPTWXRKUMNKO-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CCCC23CCC3)nn1 ZINC000846879847 588295156 /nfs/dbraw/zinc/29/51/56/588295156.db2.gz RPRTUKQXTHHDPC-UHFFFAOYSA-N 1 0 246.358 2.373 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000846996304 588300818 /nfs/dbraw/zinc/30/08/18/588300818.db2.gz WGKFEFPVGBXBMF-UONOGXRCSA-N 1 0 232.327 2.176 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000846995739 588300983 /nfs/dbraw/zinc/30/09/83/588300983.db2.gz UIMDJVXGJNOZMW-KGLIPLIRSA-N 1 0 232.327 2.310 20 30 BEEDRO CCCCOC(=O)CC[NH2+][C@@H](CC)CC#N ZINC000846995870 588301050 /nfs/dbraw/zinc/30/10/50/588301050.db2.gz UWBIPDMXKXLHDZ-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000847019060 588301950 /nfs/dbraw/zinc/30/19/50/588301950.db2.gz OGBOBWBASOFURU-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCc2scnc2C)C1 ZINC000847019063 588302214 /nfs/dbraw/zinc/30/22/14/588302214.db2.gz OHUGAXCYUWXIKY-LBPRGKRZSA-N 1 0 234.368 2.339 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCCSCCOC)C1 ZINC000847019555 588302351 /nfs/dbraw/zinc/30/23/51/588302351.db2.gz RIXOLNWKFVQUEY-CYBMUJFWSA-N 1 0 241.400 2.101 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000847023457 588303158 /nfs/dbraw/zinc/30/31/58/588303158.db2.gz MVWJCEUWFWFSPW-OAHLLOKOSA-N 1 0 245.370 2.399 20 30 BEEDRO C#CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000847053219 588305359 /nfs/dbraw/zinc/30/53/59/588305359.db2.gz MGVZZZJOJIIQBS-UHFFFAOYSA-N 1 0 210.280 2.160 20 30 BEEDRO C#CCCCNC(C)(C)C(=O)OCCCC ZINC000847065274 588305655 /nfs/dbraw/zinc/30/56/55/588305655.db2.gz WGXDNMKSEFLYHC-UHFFFAOYSA-N 1 0 225.332 2.111 20 30 BEEDRO C#CC[N@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000847101640 588306340 /nfs/dbraw/zinc/30/63/40/588306340.db2.gz WCDULYFHFIEUFN-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO COCCCON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848410208 588379843 /nfs/dbraw/zinc/37/98/43/588379843.db2.gz DMGNDMRICSOEAS-CYBMUJFWSA-N 1 0 240.347 2.044 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cncnc1C ZINC000848535608 588393796 /nfs/dbraw/zinc/39/37/96/588393796.db2.gz HWFFOWGGNKRZLE-LLVKDONJSA-N 1 0 217.316 2.239 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(CC)c1O ZINC000848899384 588417972 /nfs/dbraw/zinc/41/79/72/588417972.db2.gz FKPJENPDIGIDDV-LBPRGKRZSA-N 1 0 249.354 2.229 20 30 BEEDRO C[C@@H]1C[C@H]1c1ccc(C[NH+]=C(N(C)C)N(C)C)o1 ZINC000848986077 588425922 /nfs/dbraw/zinc/42/59/22/588425922.db2.gz WEZLFWOAGMSWJP-ZYHUDNBSSA-N 1 0 249.358 2.382 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH+]=C(NCc1ccccc1)N(C)C ZINC000848990634 588427236 /nfs/dbraw/zinc/42/72/36/588427236.db2.gz SBXIUCVBKRQFIZ-TZMCWYRMSA-N 1 0 245.370 2.350 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCc1ccoc1C ZINC000848997259 588429354 /nfs/dbraw/zinc/42/93/54/588429354.db2.gz QLXHKHNNWNPBJU-UHFFFAOYSA-N 1 0 247.298 2.046 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000849010216 588434834 /nfs/dbraw/zinc/43/48/34/588434834.db2.gz JVTJWJPFNLFVPF-OCCSQVGLSA-N 1 0 229.327 2.017 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@]1(C)c1ccccc1 ZINC000849010383 588434859 /nfs/dbraw/zinc/43/48/59/588434859.db2.gz NKJRCZFUZCGVMF-DZGCQCFKSA-N 1 0 243.354 2.407 20 30 BEEDRO C#CCCCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849011157 588435231 /nfs/dbraw/zinc/43/52/31/588435231.db2.gz ZBXUGNSBWDGVMA-UHFFFAOYSA-N 1 0 237.253 2.314 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc2ccccc2n1 ZINC000849013654 588436021 /nfs/dbraw/zinc/43/60/21/588436021.db2.gz HBBCJUFWAYKTEN-UHFFFAOYSA-N 1 0 240.310 2.035 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCC1CC(C)(C)C1 ZINC000849020692 588438901 /nfs/dbraw/zinc/43/89/01/588438901.db2.gz XIUJZDHPKLUFGD-UHFFFAOYSA-N 1 0 249.358 2.381 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C)[C@@H]1C)NC1CC1 ZINC000849024931 588440339 /nfs/dbraw/zinc/44/03/39/588440339.db2.gz GLEUEMITXSRBPG-SRVKXCTJSA-N 1 0 237.391 2.386 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCc1ccc(C)cc1)C(C)C ZINC000849025791 588440733 /nfs/dbraw/zinc/44/07/33/588440733.db2.gz BSWDXQBFDUPVPD-AWEZNQCLSA-N 1 0 243.354 2.267 20 30 BEEDRO C=CCCCCCCNC(NC1CC1)=[NH+]C ZINC000849027823 588441269 /nfs/dbraw/zinc/44/12/69/588441269.db2.gz VEYXNEGATZVMJM-UHFFFAOYSA-N 1 0 223.364 2.450 20 30 BEEDRO C=C(CNC(=[NH2+])NC(C)C)c1ccccc1 ZINC000849028452 588441520 /nfs/dbraw/zinc/44/15/20/588441520.db2.gz KNXQQKUTCRCLJP-UHFFFAOYSA-N 1 0 217.316 2.222 20 30 BEEDRO C=Cc1ccc(CCNC(NC2CC2)=[NH+]C)cc1 ZINC000849030158 588442188 /nfs/dbraw/zinc/44/21/88/588442188.db2.gz IKLDPWKFWBVZMH-UHFFFAOYSA-N 1 0 243.354 2.200 20 30 BEEDRO CNC(NCC(C)(C)c1ccc(C)cc1C)=[NH+]C ZINC000849030728 588442878 /nfs/dbraw/zinc/44/28/78/588442878.db2.gz VKQCSXKYNKVURZ-UHFFFAOYSA-N 1 0 247.386 2.376 20 30 BEEDRO C[NH+]=C(NC[C@@H]1C[C@H]1c1ccccc1)NC1CC1 ZINC000849033630 588443769 /nfs/dbraw/zinc/44/37/69/588443769.db2.gz SIPXJAQNRXJTCA-JSGCOSHPSA-N 1 0 243.354 2.118 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCCC1(C)C ZINC000849033112 588443839 /nfs/dbraw/zinc/44/38/39/588443839.db2.gz SJLCSHRCINQRJX-SNVBAGLBSA-N 1 0 209.337 2.113 20 30 BEEDRO C=C(CC)CNC(=[NH2+])NCc1ccccc1OC ZINC000849038762 588446928 /nfs/dbraw/zinc/44/69/28/588446928.db2.gz UJOURMSHHJNMIT-UHFFFAOYSA-N 1 0 247.342 2.275 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)CC#N)C1 ZINC000849040532 588447431 /nfs/dbraw/zinc/44/74/31/588447431.db2.gz MMFVWVBXUAGIPU-LLVKDONJSA-N 1 0 236.363 2.183 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@@H]1C[C@H]1CC(C)C ZINC000849040425 588447516 /nfs/dbraw/zinc/44/75/16/588447516.db2.gz KSRLIEMGAUOAQK-DGCLKSJQSA-N 1 0 249.358 2.379 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCCC)c1ccccc1 ZINC000849045108 588449616 /nfs/dbraw/zinc/44/96/16/588449616.db2.gz DVEXSTQHBAULBI-CYBMUJFWSA-N 1 0 229.327 2.275 20 30 BEEDRO CCNC(NCC[C@]1(C)C[C@]1(F)Cl)=[NH+]CC ZINC000849047731 588450675 /nfs/dbraw/zinc/45/06/75/588450675.db2.gz UDDXISGALKDOLK-GHMZBOCLSA-N 1 0 249.761 2.266 20 30 BEEDRO C=CCCCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849049001 588451331 /nfs/dbraw/zinc/45/13/31/588451331.db2.gz LBIIPKRSLNSITJ-LBPRGKRZSA-N 1 0 239.363 2.026 20 30 BEEDRO C=CCCC1(CNC(NC)=[NH+]C)CCCC1 ZINC000849215081 588461819 /nfs/dbraw/zinc/46/18/19/588461819.db2.gz MFKIHRZUNWNHLF-UHFFFAOYSA-N 1 0 223.364 2.308 20 30 BEEDRO CNC(NCc1cc2cc(C)ccc2o1)=[NH+]C ZINC000849215243 588461826 /nfs/dbraw/zinc/46/18/26/588461826.db2.gz WVMXJUGEWCEWKH-UHFFFAOYSA-N 1 0 231.299 2.036 20 30 BEEDRO CCCCCCCC(=O)NCC[C@H](C)[NH3+] ZINC000109139387 588523484 /nfs/dbraw/zinc/52/34/84/588523484.db2.gz GRVMQZLBDOCMOB-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C#CCCCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000850187089 588525342 /nfs/dbraw/zinc/52/53/42/588525342.db2.gz UFRJNMBBBHJSRJ-UHFFFAOYSA-N 1 0 231.343 2.191 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CO[C@@H](CC)C2)c1 ZINC000850321730 588536832 /nfs/dbraw/zinc/53/68/32/588536832.db2.gz NSJASQKTSXSMMK-CABCVRRESA-N 1 0 229.323 2.325 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN(C)C(=O)OC)C1 ZINC000850389938 588543046 /nfs/dbraw/zinc/54/30/46/588543046.db2.gz MNYFBZVEEOFVNU-VXGBXAGGSA-N 1 0 240.347 2.019 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000850388146 588543176 /nfs/dbraw/zinc/54/31/76/588543176.db2.gz IOMTULISHIRIRV-INIZCTEOSA-N 1 0 243.350 2.166 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@](=O)CC ZINC000850434733 588545862 /nfs/dbraw/zinc/54/58/62/588545862.db2.gz WZVKBOVCGBKVAN-DVOMOZLQSA-N 1 0 243.416 2.480 20 30 BEEDRO C[C@H]1CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850487745 588551993 /nfs/dbraw/zinc/55/19/93/588551993.db2.gz JDPZXAJKJBNYHQ-SMDDNHRTSA-N 1 0 214.312 2.489 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)c1ncc[nH]1 ZINC000850489394 588552177 /nfs/dbraw/zinc/55/21/77/588552177.db2.gz SWDFHIRKJIBCPT-LLVKDONJSA-N 1 0 240.310 2.175 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850487744 588552295 /nfs/dbraw/zinc/55/22/95/588552295.db2.gz JDPZXAJKJBNYHQ-RISCZKNCSA-N 1 0 214.312 2.489 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCN(C)C(=O)OC ZINC000850551524 588559740 /nfs/dbraw/zinc/55/97/40/588559740.db2.gz WKWRHIKJTPOEBQ-GFCCVEGCSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCN(C)C(=O)OC ZINC000850551955 588559766 /nfs/dbraw/zinc/55/97/66/588559766.db2.gz ZIXUWPNWPWNTKH-NSHDSACASA-N 1 0 228.336 2.019 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000850571858 588561152 /nfs/dbraw/zinc/56/11/52/588561152.db2.gz DBEGFDHXPQZKNH-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H](C)C[NH2+]C ZINC000851659093 588613352 /nfs/dbraw/zinc/61/33/52/588613352.db2.gz OHPWMYSMUMILTC-GFCCVEGCSA-N 1 0 243.395 2.254 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@H](C)C[NH2+]C ZINC000851660625 588613606 /nfs/dbraw/zinc/61/36/06/588613606.db2.gz VFRWLKLQWFGHBN-GFCCVEGCSA-N 1 0 241.379 2.030 20 30 BEEDRO C#CCOCC[N@@H+](CC)CCc1ccccc1 ZINC000851728255 588618724 /nfs/dbraw/zinc/61/87/24/588618724.db2.gz KAKYZTXHTVVRGP-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1CC[C@H](OC)C1 ZINC000851741208 588621437 /nfs/dbraw/zinc/62/14/37/588621437.db2.gz BRVHXTROZMMSBP-UTUOFQBUSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851763930 588624579 /nfs/dbraw/zinc/62/45/79/588624579.db2.gz FVXJBEDBSVCDIE-LBPRGKRZSA-N 1 0 225.332 2.180 20 30 BEEDRO C#CCOCC[N@@H+]1CCCc2ccccc2C1 ZINC000851762477 588624640 /nfs/dbraw/zinc/62/46/40/588624640.db2.gz QXJHPJWZWIJMRS-UHFFFAOYSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CC1CC[NH+](CCOC(F)F)CC1 ZINC000851768490 588625256 /nfs/dbraw/zinc/62/52/56/588625256.db2.gz HXJCLANUSBIHOY-UHFFFAOYSA-N 1 0 205.248 2.124 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1COC(C)(C)O1 ZINC000851780504 588627251 /nfs/dbraw/zinc/62/72/51/588627251.db2.gz TYCHPHXBIOKXJD-NSHDSACASA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCOCC[N@H+]1CCCCC[C@@H]1CC ZINC000851781047 588627423 /nfs/dbraw/zinc/62/74/23/588627423.db2.gz MWXGSWBJGOWURD-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCN(Cc1coc(C)n1)C1CCCC1 ZINC000851807681 588631897 /nfs/dbraw/zinc/63/18/97/588631897.db2.gz HHKRZJIYMZCVSR-UHFFFAOYSA-N 1 0 218.300 2.361 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000851808669 588632176 /nfs/dbraw/zinc/63/21/76/588632176.db2.gz POHPMMOYYKAUEW-AWEZNQCLSA-N 1 0 247.313 2.265 20 30 BEEDRO C#CCOCC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000851840888 588634251 /nfs/dbraw/zinc/63/42/51/588634251.db2.gz KXBGMMSKLHVJKD-INIZCTEOSA-N 1 0 243.350 2.478 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000851889898 588641097 /nfs/dbraw/zinc/64/10/97/588641097.db2.gz RQVFAGHWVWTBNL-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1 ZINC000851900386 588641875 /nfs/dbraw/zinc/64/18/75/588641875.db2.gz CJVQELMSCPDJGQ-KBPBESRZSA-N 1 0 243.306 2.046 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH+]2CCC(CC#N)CC2)C1 ZINC000851918764 588643472 /nfs/dbraw/zinc/64/34/72/588643472.db2.gz CZXSNMCCIRLEOC-QWHCGFSZSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000851922657 588644437 /nfs/dbraw/zinc/64/44/37/588644437.db2.gz JRBHZJLLNFUESQ-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000851937893 588645745 /nfs/dbraw/zinc/64/57/45/588645745.db2.gz DOYOBOANILAZPV-ZIAGYGMSSA-N 1 0 234.387 2.062 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCCC[C@H]1C ZINC000851966702 588648228 /nfs/dbraw/zinc/64/82/28/588648228.db2.gz RGNUETDOJYQWJP-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](OC)C1CCC1 ZINC000851986140 588651755 /nfs/dbraw/zinc/65/17/55/588651755.db2.gz COFSZTSEDOKXGW-GFCCVEGCSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000851986621 588651873 /nfs/dbraw/zinc/65/18/73/588651873.db2.gz MFXXLLCJRRUKDD-UHFFFAOYSA-N 1 0 227.311 2.407 20 30 BEEDRO C#CCOCC[N@@H+](C)CCc1ccccc1C ZINC000852097012 588662063 /nfs/dbraw/zinc/66/20/63/588662063.db2.gz IJVZWGQYLVXECB-UHFFFAOYSA-N 1 0 231.339 2.119 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000852099913 588662923 /nfs/dbraw/zinc/66/29/23/588662923.db2.gz RLWSJCOYHHHDQP-CQSZACIVSA-N 1 0 249.310 2.266 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1c(C)onc1CC ZINC000852100877 588663282 /nfs/dbraw/zinc/66/32/82/588663282.db2.gz BJLCNOVZGRBVFS-CYBMUJFWSA-N 1 0 220.316 2.437 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000852103349 588663334 /nfs/dbraw/zinc/66/33/34/588663334.db2.gz FGOHYVFGGHGVDP-ZIAGYGMSSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCSCC#N ZINC000852102888 588663465 /nfs/dbraw/zinc/66/34/65/588663465.db2.gz SIGGQGLRXFGUDN-LLVKDONJSA-N 1 0 210.346 2.025 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](CC)CC[C@@H]1C ZINC000852146302 588667314 /nfs/dbraw/zinc/66/73/14/588667314.db2.gz LSXIRMFSSMIDDN-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnon1 ZINC000852302383 588677426 /nfs/dbraw/zinc/67/74/26/588677426.db2.gz AHEIVIXGYPPSRA-JQWIXIFHSA-N 1 0 221.304 2.294 20 30 BEEDRO C#CCCC[N@@H+](CC)[C@H](C)C(=O)OC(C)(C)C ZINC000852307543 588677510 /nfs/dbraw/zinc/67/75/10/588677510.db2.gz ZIHHDMFFZRTJGA-GFCCVEGCSA-N 1 0 239.359 2.452 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCC(=O)O1 ZINC000852302695 588677699 /nfs/dbraw/zinc/67/76/99/588677699.db2.gz FIMRRUQNBAURPA-UPJWGTAASA-N 1 0 237.343 2.417 20 30 BEEDRO C=CC[N@@H+](CCC(=O)C(C)C)[C@@H](C)COC ZINC000852356744 588679655 /nfs/dbraw/zinc/67/96/55/588679655.db2.gz MZYZUHRHTXTJIO-LBPRGKRZSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[N@H+](C[Si](C)(C)C)[C@@H](C)COC ZINC000852358701 588680009 /nfs/dbraw/zinc/68/00/09/588680009.db2.gz YTMZJUARHZQGHY-NSHDSACASA-N 1 0 215.413 2.387 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852408822 588680942 /nfs/dbraw/zinc/68/09/42/588680942.db2.gz BHPCWMYQQVMEQY-DZGCQCFKSA-N 1 0 246.354 2.403 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412136 588681242 /nfs/dbraw/zinc/68/12/42/588681242.db2.gz ZACJVIUTCAREAR-OLZOCXBDSA-N 1 0 249.354 2.370 20 30 BEEDRO C=CC[N@@H+](CCCN1CCOC1=O)C(C)(C)C ZINC000852554319 588689487 /nfs/dbraw/zinc/68/94/87/588689487.db2.gz IYWXWDXQZYOUEK-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1CN(CC)C(=O)O1)C(C)(C)C ZINC000852554596 588689545 /nfs/dbraw/zinc/68/95/45/588689545.db2.gz SCOIJCWQLUUTRP-NSHDSACASA-N 1 0 240.347 2.114 20 30 BEEDRO C=CCN(Cc1cnn(CC)n1)C(C)(C)C ZINC000852554792 588689654 /nfs/dbraw/zinc/68/96/54/588689654.db2.gz WKEOGPPWAKXPCJ-UHFFFAOYSA-N 1 0 222.336 2.085 20 30 BEEDRO C=CC[N@@H+](CCO[C@@H](C)C#N)C(C)(C)C ZINC000852554063 588689679 /nfs/dbraw/zinc/68/96/79/588689679.db2.gz BGLFJNCMSIIQEP-NSHDSACASA-N 1 0 210.321 2.202 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000852561603 588690823 /nfs/dbraw/zinc/69/08/23/588690823.db2.gz QIXCQCJVBUYCEC-LSDHHAIUSA-N 1 0 245.370 2.134 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](CC)CC[C@H]1C ZINC000852592267 588692166 /nfs/dbraw/zinc/69/21/66/588692166.db2.gz LSXIRMFSSMIDDN-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2CCC(=O)O2)CCCC1 ZINC000852588563 588692372 /nfs/dbraw/zinc/69/23/72/588692372.db2.gz UUVMRXZPPKEQST-NSHDSACASA-N 1 0 223.316 2.171 20 30 BEEDRO C#CCCC[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000852637058 588693665 /nfs/dbraw/zinc/69/36/65/588693665.db2.gz RASFADDPBRILSG-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCCC[NH+]1CCC(c2ccon2)CC1 ZINC000852672503 588694856 /nfs/dbraw/zinc/69/48/56/588694856.db2.gz DXGAHPGTDNSOLZ-UHFFFAOYSA-N 1 0 218.300 2.267 20 30 BEEDRO C[C@@]1(C#N)CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000852685504 588695969 /nfs/dbraw/zinc/69/59/69/588695969.db2.gz XBZLDPNIYCCFPR-KGLIPLIRSA-N 1 0 248.301 2.095 20 30 BEEDRO C=C(Cl)CN(CC[NH3+])CCc1ccccc1 ZINC000852748390 588699269 /nfs/dbraw/zinc/69/92/69/588699269.db2.gz UHKYTOKGJSMUOY-UHFFFAOYSA-N 1 0 238.762 2.242 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC000852760908 588700780 /nfs/dbraw/zinc/70/07/80/588700780.db2.gz OGQNOSMNVBBZQD-VXGBXAGGSA-N 1 0 216.344 2.328 20 30 BEEDRO C#CCOCC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000852762507 588700978 /nfs/dbraw/zinc/70/09/78/588700978.db2.gz NOQWVBCTOQNBSH-UHFFFAOYSA-N 1 0 241.334 2.257 20 30 BEEDRO C=CC[C@H](C=C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000860924751 589133118 /nfs/dbraw/zinc/13/31/18/589133118.db2.gz BTKPOUSPTGUTTP-RYUDHWBXSA-N 1 0 225.332 2.247 20 30 BEEDRO CCCCCCCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861615039 589170395 /nfs/dbraw/zinc/17/03/95/589170395.db2.gz CRFLVJCVETZZLA-LBPRGKRZSA-N 1 0 243.395 2.336 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862286463 589200054 /nfs/dbraw/zinc/20/00/54/589200054.db2.gz XHKKPBOHWCGDER-VIFPVBQESA-N 1 0 201.260 2.423 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000862348573 589201830 /nfs/dbraw/zinc/20/18/30/589201830.db2.gz BSDAGAMSMKJVNX-SNVBAGLBSA-N 1 0 213.284 2.016 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C)nn2)C1 ZINC000862441714 589213361 /nfs/dbraw/zinc/21/33/61/589213361.db2.gz UPVYEUOHWDSCLH-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000862443817 589214037 /nfs/dbraw/zinc/21/40/37/589214037.db2.gz UWCFGBPZBUGMIQ-GFCCVEGCSA-N 1 0 215.296 2.237 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000862443493 589214059 /nfs/dbraw/zinc/21/40/59/589214059.db2.gz PPVCHKDEHHEBRF-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(OC)cc(C)n2)C1 ZINC000862444563 589214167 /nfs/dbraw/zinc/21/41/67/589214167.db2.gz CBNJHSHZNHUBHP-CYBMUJFWSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2coc(C3CC3)n2)C1 ZINC000862444900 589214590 /nfs/dbraw/zinc/21/45/90/589214590.db2.gz INNWBNZJPDBFIW-LLVKDONJSA-N 1 0 230.311 2.397 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CCC1CC1 ZINC000862549185 589218213 /nfs/dbraw/zinc/21/82/13/589218213.db2.gz WSARYQWZOIPNQV-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CC1CC1 ZINC000862547589 589220042 /nfs/dbraw/zinc/22/00/42/589220042.db2.gz KFHVLBAARUACEW-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H]1CCCSCC1 ZINC000862548785 589220422 /nfs/dbraw/zinc/22/04/22/589220422.db2.gz NVARVSPLYRPFDZ-STQMWFEESA-N 1 0 241.400 2.290 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CSCCF ZINC000862548441 589220456 /nfs/dbraw/zinc/22/04/56/589220456.db2.gz GFOOMYRNRYOIMC-NWDGAFQWSA-N 1 0 247.379 2.096 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CCC1CC1 ZINC000862549184 589220532 /nfs/dbraw/zinc/22/05/32/589220532.db2.gz WSARYQWZOIPNQV-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000862549267 589220543 /nfs/dbraw/zinc/22/05/43/589220543.db2.gz YKNLTQLQWMGXIC-RDBSUJKOSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000862551701 589220701 /nfs/dbraw/zinc/22/07/01/589220701.db2.gz XTMPINNAPZOIIS-AGIUHOORSA-N 1 0 241.400 2.144 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000862551703 589220786 /nfs/dbraw/zinc/22/07/86/589220786.db2.gz XTMPINNAPZOIIS-JHJVBQTASA-N 1 0 241.400 2.144 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CCC(C(F)F)CC1 ZINC000862549759 589220794 /nfs/dbraw/zinc/22/07/94/589220794.db2.gz DRDHNUVPTYPDAZ-HTAVTVPLSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000862551704 589220872 /nfs/dbraw/zinc/22/08/72/589220872.db2.gz XTMPINNAPZOIIS-UPJWGTAASA-N 1 0 241.400 2.144 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC000862551707 589220902 /nfs/dbraw/zinc/22/09/02/589220902.db2.gz XXIPKJVXQNSDNW-BFHYXJOUSA-N 1 0 221.344 2.359 20 30 BEEDRO C[NH+]=C(NC1CCC(C(C)C)CC1)N(C)C ZINC000119003908 589230363 /nfs/dbraw/zinc/23/03/63/589230363.db2.gz ZFIZQWCJMVPQEA-UHFFFAOYSA-N 1 0 225.380 2.338 20 30 BEEDRO C#CCCCC(C)=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000863104092 589255937 /nfs/dbraw/zinc/25/59/37/589255937.db2.gz SUBCTGNZXODSAX-BETUJISGSA-N 1 0 246.358 2.026 20 30 BEEDRO CCC(=[NH+]N[C@@H](C)COC)c1ccc(N)cc1 ZINC000863104630 589256382 /nfs/dbraw/zinc/25/63/82/589256382.db2.gz BLFCTBCINIAEIT-JTQLQIEISA-N 1 0 235.331 2.007 20 30 BEEDRO Fc1ccc(CON=C2C[N@@H+]3C[C@@H]2CCC3)cc1 ZINC000863108453 589257296 /nfs/dbraw/zinc/25/72/96/589257296.db2.gz SBNMCAQYRMDQDC-LBPRGKRZSA-N 1 0 248.301 2.424 20 30 BEEDRO Cc1c[nH+]ccc1NN=Cc1ccnn1C(C)C ZINC000863157539 589263851 /nfs/dbraw/zinc/26/38/51/589263851.db2.gz CFEGWSQIGQJILE-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO CC(=NNc1cc[nH+]cc1C)c1nc(C)cs1 ZINC000863158177 589263883 /nfs/dbraw/zinc/26/38/83/589263883.db2.gz QAODGHONJVRUND-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO Cc1cccc(N=NC2C[N@H+](C3CC3)C[C@H]2C)n1 ZINC000863160191 589264562 /nfs/dbraw/zinc/26/45/62/589264562.db2.gz UPYPOPPRIVIQSE-SNVBAGLBSA-N 1 0 244.342 2.272 20 30 BEEDRO Cc1cccc(N=NC2CC[N@@H+]3CCC[C@@H]23)n1 ZINC000863159922 589264569 /nfs/dbraw/zinc/26/45/69/589264569.db2.gz KGMVDHWQIPGTBG-LBPRGKRZSA-N 1 0 230.315 2.026 20 30 BEEDRO C[C@@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000863455514 589288924 /nfs/dbraw/zinc/28/89/24/589288924.db2.gz LAZMNWXYOIDDSY-ZYHUDNBSSA-N 1 0 247.342 2.046 20 30 BEEDRO C[C@H]1C[C@H]1CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000863455512 589289177 /nfs/dbraw/zinc/28/91/77/589289177.db2.gz LAZMNWXYOIDDSY-JQWIXIFHSA-N 1 0 247.342 2.046 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1COCCN1 ZINC000863544671 589297811 /nfs/dbraw/zinc/29/78/11/589297811.db2.gz BDFWNZMOFIYYAP-KGLIPLIRSA-N 1 0 240.391 2.089 20 30 BEEDRO CCC(C#N)(CC)c1nc([C@H]2CCC[NH2+]C2)no1 ZINC000863654871 589308176 /nfs/dbraw/zinc/30/81/76/589308176.db2.gz RFUNSSMMTHONKI-JTQLQIEISA-N 1 0 248.330 2.118 20 30 BEEDRO C#CCn1cc(-c2ccc(C[NH+](C)C)cc2)cn1 ZINC000863692043 589310897 /nfs/dbraw/zinc/31/08/97/589310897.db2.gz QNPFWXNDLMGKBB-UHFFFAOYSA-N 1 0 239.322 2.245 20 30 BEEDRO C=C(Br)CNC(=[NH2+])NC(CC)CC ZINC000864456782 589367547 /nfs/dbraw/zinc/36/75/47/589367547.db2.gz MCVFAYUKEZETGD-UHFFFAOYSA-N 1 0 248.168 2.198 20 30 BEEDRO C=CCSCCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864457588 589367370 /nfs/dbraw/zinc/36/73/70/589367370.db2.gz SWDKKKNOAYKOEA-NSHDSACASA-N 1 0 241.404 2.162 20 30 BEEDRO C=CCSCCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864457587 589367472 /nfs/dbraw/zinc/36/74/72/589367472.db2.gz SWDKKKNOAYKOEA-LLVKDONJSA-N 1 0 241.404 2.162 20 30 BEEDRO CCC(CC)NC(=[NH2+])NCC(C)(C)CC#N ZINC000864467342 589371891 /nfs/dbraw/zinc/37/18/91/589371891.db2.gz WPVHUHWAKIQCRL-UHFFFAOYSA-N 1 0 224.352 2.229 20 30 BEEDRO N#CC1CCC(CNC(=[NH2+])NCCC2CC2)CC1 ZINC000864468270 589372116 /nfs/dbraw/zinc/37/21/16/589372116.db2.gz IAHFAGOLMQLEBG-UHFFFAOYSA-N 1 0 248.374 2.230 20 30 BEEDRO CCC(CC)NC(=[NH2+])NCC1(C#N)CCCC1 ZINC000864470341 589372934 /nfs/dbraw/zinc/37/29/34/589372934.db2.gz XUZSQIDEQQWRHG-UHFFFAOYSA-N 1 0 236.363 2.373 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CC[C@H](CC)C1)C(C)(C)C ZINC000864469857 589373007 /nfs/dbraw/zinc/37/30/07/589373007.db2.gz XNMLFXOYNQPJOO-NWDGAFQWSA-N 1 0 235.375 2.291 20 30 BEEDRO Cc1noc(C)c1C[N@H+](C)CCCCC#N ZINC000120081535 589375304 /nfs/dbraw/zinc/37/53/04/589375304.db2.gz HKSXBJGWDPVQQG-UHFFFAOYSA-N 1 0 221.304 2.417 20 30 BEEDRO CN(C)c1ccc(F)cc1C[NH2+]CCCC#N ZINC000865526272 589443487 /nfs/dbraw/zinc/44/34/87/589443487.db2.gz OSDDYAPNQBJSHS-UHFFFAOYSA-N 1 0 235.306 2.285 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865550901 589445824 /nfs/dbraw/zinc/44/58/24/589445824.db2.gz NTZMAVPCENRFLA-UHFFFAOYSA-N 1 0 230.315 2.001 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865553743 589445844 /nfs/dbraw/zinc/44/58/44/589445844.db2.gz JOVDLRHFTBTTNA-CYBMUJFWSA-N 1 0 244.342 2.413 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1C=CCC1 ZINC000865624159 589451805 /nfs/dbraw/zinc/45/18/05/589451805.db2.gz VINRDTROBJXMOI-CQSZACIVSA-N 1 0 241.338 2.432 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1 ZINC000865689864 589456256 /nfs/dbraw/zinc/45/62/56/589456256.db2.gz QPUUEBSZJQEBSQ-LALPHHSUSA-N 1 0 229.323 2.323 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865691746 589456269 /nfs/dbraw/zinc/45/62/69/589456269.db2.gz FNPAFDSYGVKOGF-MEBFFEOJSA-N 1 0 248.370 2.329 20 30 BEEDRO CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000865699942 589457564 /nfs/dbraw/zinc/45/75/64/589457564.db2.gz NQYORQQGODPFNT-CHWSQXEVSA-N 1 0 248.326 2.180 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]CC1CC1)C2 ZINC000865847211 589464582 /nfs/dbraw/zinc/46/45/82/589464582.db2.gz AUZMKUAYYRRNIR-CQSZACIVSA-N 1 0 212.296 2.025 20 30 BEEDRO CC1(C[NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000865846968 589464626 /nfs/dbraw/zinc/46/46/26/589464626.db2.gz CDMVSYGIGOPCER-AWEZNQCLSA-N 1 0 226.323 2.415 20 30 BEEDRO C[C@H]([NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000865847192 589464823 /nfs/dbraw/zinc/46/48/23/589464823.db2.gz AFUNRIBIJVCKAD-ZUZCIYMTSA-N 1 0 226.323 2.414 20 30 BEEDRO C=C(C)CCNc1nc(N)nc(C2CCCC2)n1 ZINC000865848874 589464925 /nfs/dbraw/zinc/46/49/25/589464925.db2.gz DOZBHJOFSBWYEC-UHFFFAOYSA-N 1 0 247.346 2.490 20 30 BEEDRO C#CC[NH2+][C@H](CC)c1cccc(OC)c1OC ZINC000866215307 589481326 /nfs/dbraw/zinc/48/13/26/589481326.db2.gz ISKHHNYTBQYXCO-GFCCVEGCSA-N 1 0 233.311 2.378 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C1 ZINC000866444692 589492774 /nfs/dbraw/zinc/49/27/74/589492774.db2.gz JZCWWUDNFBIOJE-MRKIUDBFSA-N 1 0 246.354 2.082 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000866446901 589493354 /nfs/dbraw/zinc/49/33/54/589493354.db2.gz XXMVMJWSBTXDNT-VZKILSJISA-N 1 0 221.344 2.354 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000866488041 589497046 /nfs/dbraw/zinc/49/70/46/589497046.db2.gz IVKSIIAFHSZIAO-VLEAKVRGSA-N 1 0 210.346 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CCC2)[C@@H]2CCOC2)C1 ZINC000866511642 589498649 /nfs/dbraw/zinc/49/86/49/589498649.db2.gz DTXZAOCNIDBFBL-REBRKWNGSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000866539448 589499820 /nfs/dbraw/zinc/49/98/20/589499820.db2.gz LXZVGIXWCQKMSJ-UNQGMJICSA-N 1 0 248.370 2.331 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000866612832 589504564 /nfs/dbraw/zinc/50/45/64/589504564.db2.gz BZJRRXWXUXSHJP-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000866612833 589504681 /nfs/dbraw/zinc/50/46/81/589504681.db2.gz BZJRRXWXUXSHJP-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618055 589505471 /nfs/dbraw/zinc/50/54/71/589505471.db2.gz UVXITVWCOPRKBS-NHYWBVRUSA-N 1 0 244.338 2.040 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000866634769 589506281 /nfs/dbraw/zinc/50/62/81/589506281.db2.gz UKZRBRPKANCFOU-RVMXOQNASA-N 1 0 224.348 2.208 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000866634770 589506331 /nfs/dbraw/zinc/50/63/31/589506331.db2.gz UKZRBRPKANCFOU-UMSGYPCISA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCC[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866691765 589512119 /nfs/dbraw/zinc/51/21/19/589512119.db2.gz UDDJRFGZDPAUCB-UHFFFAOYSA-N 1 0 218.300 2.039 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000123133743 589665858 /nfs/dbraw/zinc/66/58/58/589665858.db2.gz IMQWEHMJITWNMH-NSHDSACASA-N 1 0 225.295 2.188 20 30 BEEDRO C=CCCCC(=O)O[C@H](CC)C[NH+](C)C ZINC000870549782 589674011 /nfs/dbraw/zinc/67/40/11/589674011.db2.gz HFIFTBBYUUOIKF-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C#CCCCCC(=O)O[C@H](C[NH+](C)C)C(C)C ZINC000870568458 589676370 /nfs/dbraw/zinc/67/63/70/589676370.db2.gz GUMQJXOLMXDFEY-CYBMUJFWSA-N 1 0 239.359 2.309 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870950315 589700829 /nfs/dbraw/zinc/70/08/29/589700829.db2.gz HBQVNSBGYRJAOS-BETUJISGSA-N 1 0 238.375 2.367 20 30 BEEDRO C#CCCCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871798540 589820002 /nfs/dbraw/zinc/82/00/02/589820002.db2.gz KOYYBPDRGWWHBA-YOGCLGLASA-N 1 0 245.326 2.024 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871884491 589827962 /nfs/dbraw/zinc/82/79/62/589827962.db2.gz YMWJSMGADUOVCD-GXTWGEPZSA-N 1 0 244.338 2.323 20 30 BEEDRO C=CCCOCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872051314 589861176 /nfs/dbraw/zinc/86/11/76/589861176.db2.gz IVQOGCXFSVORCT-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000872060756 589862809 /nfs/dbraw/zinc/86/28/09/589862809.db2.gz SQKFQDUHDJOBSC-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCOC1 ZINC000872082226 589866209 /nfs/dbraw/zinc/86/62/09/589866209.db2.gz SKKFOYZEKLMEKE-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872086140 589867070 /nfs/dbraw/zinc/86/70/70/589867070.db2.gz SMFPHYRBLYWZMD-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872086138 589867192 /nfs/dbraw/zinc/86/71/92/589867192.db2.gz SMFPHYRBLYWZMD-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCCc2ccccc2C1 ZINC000872087742 589867596 /nfs/dbraw/zinc/86/75/96/589867596.db2.gz HATPMPADLBCOGA-CVEARBPZSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000872125545 589876095 /nfs/dbraw/zinc/87/60/95/589876095.db2.gz DCLATYOQICEGHO-FDYHWXHSSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000872125546 589876148 /nfs/dbraw/zinc/87/61/48/589876148.db2.gz DCLATYOQICEGHO-FVCCEPFGSA-N 1 0 209.333 2.092 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000872139321 589880234 /nfs/dbraw/zinc/88/02/34/589880234.db2.gz BSINKYWFFNLUPJ-ZQDZILKHSA-N 1 0 246.398 2.393 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)CC1 ZINC000872139477 589880369 /nfs/dbraw/zinc/88/03/69/589880369.db2.gz FZMBDPZMVKKKET-RNJOBUHISA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCSC2)CC1 ZINC000872139290 589880446 /nfs/dbraw/zinc/88/04/46/589880446.db2.gz BEPJKLPHFBUVLY-IJLUTSLNSA-N 1 0 209.358 2.274 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000872139661 589880585 /nfs/dbraw/zinc/88/05/85/589880585.db2.gz MXMWRFMIIQHBMT-SYQHCUMBSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000872139221 589880639 /nfs/dbraw/zinc/88/06/39/589880639.db2.gz IEMSUTMMKACPTH-MGPQQGTHSA-N 1 0 243.354 2.189 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2nccn2C)CC1 ZINC000872140554 589881895 /nfs/dbraw/zinc/88/18/95/589881895.db2.gz QONMMNXNSWGDJR-AVGNSLFASA-N 1 0 231.343 2.263 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](O)CSC ZINC000872243821 589899505 /nfs/dbraw/zinc/89/95/05/589899505.db2.gz XCPILRISBSWNQN-LLVKDONJSA-N 1 0 231.405 2.292 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)CC1 ZINC000872252236 589900369 /nfs/dbraw/zinc/90/03/69/589900369.db2.gz YSXMLYSKNZYKKG-DCAQKATOSA-N 1 0 249.276 2.081 20 30 BEEDRO CC[C@H]([NH2+]CCC#N)[C@H](O)c1ccccc1 ZINC000872252925 589900529 /nfs/dbraw/zinc/90/05/29/589900529.db2.gz WSPNNOGWVHALFS-QWHCGFSZSA-N 1 0 218.300 2.002 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872273446 589903612 /nfs/dbraw/zinc/90/36/12/589903612.db2.gz RGFWKCIEZSDILZ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@H](OC2CCC2)CC1 ZINC000872276826 589904144 /nfs/dbraw/zinc/90/41/44/589904144.db2.gz MMQZCMMVRNHVAW-CYBMUJFWSA-N 1 0 207.317 2.043 20 30 BEEDRO Cc1ccc(N=NC2CC[N@H+](C)[C@@H]2C)cc1 ZINC000872325344 589913120 /nfs/dbraw/zinc/91/31/20/589913120.db2.gz NKYUXMMAKFDXTI-LLVKDONJSA-N 1 0 217.316 2.487 20 30 BEEDRO C[C@@H]1C(N=Nc2cccc(F)c2F)CC[N@@H+]1C ZINC000872353523 589916873 /nfs/dbraw/zinc/91/68/73/589916873.db2.gz KKQBSPGDZOCMQT-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[N@@H+]1C ZINC000872363992 589920609 /nfs/dbraw/zinc/92/06/09/589920609.db2.gz ZQWFDPXFFSUKOV-SECBINFHSA-N 1 0 243.314 2.055 20 30 BEEDRO Cn1cc(N=NC2CCC(C)([NH+](C)C)CC2)cn1 ZINC000872369512 589923012 /nfs/dbraw/zinc/92/30/12/589923012.db2.gz LKCWKOANUWXHCU-UHFFFAOYSA-N 1 0 249.362 2.082 20 30 BEEDRO C=C(C)CNN=C1CCC(C)([NH+](C)C)CC1 ZINC000872374128 589924649 /nfs/dbraw/zinc/92/46/49/589924649.db2.gz RZEAYYTZSDTPJS-UHFFFAOYSA-N 1 0 223.364 2.402 20 30 BEEDRO C=CCON=C1CCC(C)([NH+](C)C)CC1 ZINC000872379889 589927231 /nfs/dbraw/zinc/92/72/31/589927231.db2.gz PJWCHDFHDWOOPL-UHFFFAOYSA-N 1 0 210.321 2.439 20 30 BEEDRO C=C[C@H](C)ON=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872387506 589930602 /nfs/dbraw/zinc/93/06/02/589930602.db2.gz RQPBJJDQVAOFRV-CMPLNLGQSA-N 1 0 240.372 2.145 20 30 BEEDRO N#CCC1(CNc2cc[nH+]cc2C2CC2)CC1 ZINC000872530187 589947802 /nfs/dbraw/zinc/94/78/02/589947802.db2.gz XBHKWMJAASDDJF-UHFFFAOYSA-N 1 0 227.311 2.487 20 30 BEEDRO C=CCC[N@@H+](C)CN1CCC2(CCCC2)C1=O ZINC000872599614 589955106 /nfs/dbraw/zinc/95/51/06/589955106.db2.gz SDUMVXWSFLCJLV-UHFFFAOYSA-N 1 0 236.359 2.245 20 30 BEEDRO CCCNC(=[NH+]CC)N1CCS[C@H](CC)C1 ZINC000124388299 589983777 /nfs/dbraw/zinc/98/37/77/589983777.db2.gz RUHFTGVEVARTNZ-LLVKDONJSA-N 1 0 243.420 2.189 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000873112469 589984728 /nfs/dbraw/zinc/98/47/28/589984728.db2.gz STOJHOVAHFSMHO-LBPRGKRZSA-N 1 0 246.285 2.480 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1ncc[nH]1 ZINC000873151928 589987014 /nfs/dbraw/zinc/98/70/14/589987014.db2.gz STRDKRQDHMXHIN-UHFFFAOYSA-N 1 0 207.321 2.492 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)nc2)CC1 ZINC000873198390 589991875 /nfs/dbraw/zinc/99/18/75/589991875.db2.gz HKLHVQWHXWEEDV-MQMHXKEQSA-N 1 0 244.338 2.372 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000873198208 589991929 /nfs/dbraw/zinc/99/19/29/589991929.db2.gz YMDYWRLUVXARAI-JOCQHMNTSA-N 1 0 243.354 2.500 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccn2C)CC1 ZINC000873198601 589992261 /nfs/dbraw/zinc/99/22/61/589992261.db2.gz RCTOXKSPCGRJRS-JOCQHMNTSA-N 1 0 216.328 2.307 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC000873198429 589992414 /nfs/dbraw/zinc/99/24/14/589992414.db2.gz JULBWBLUHBTFJT-XYPYZODXSA-N 1 0 220.341 2.425 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)C1 ZINC000874822671 590141509 /nfs/dbraw/zinc/14/15/09/590141509.db2.gz JVHDRZDHMBJTBD-STQMWFEESA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)CCC ZINC000876546592 590207494 /nfs/dbraw/zinc/20/74/94/590207494.db2.gz ZCYPYAZLBHPGCZ-SNVBAGLBSA-N 1 0 232.755 2.105 20 30 BEEDRO CC[NH+](CC)Cc1cc(C#N)ccc1N(C)C ZINC000876523487 590207639 /nfs/dbraw/zinc/20/76/39/590207639.db2.gz XWVCYJCHMSJVPE-UHFFFAOYSA-N 1 0 231.343 2.466 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000876545119 590213024 /nfs/dbraw/zinc/21/30/24/590213024.db2.gz ALFDDVVXWGMEQV-OUAUKWLOSA-N 1 0 244.766 2.246 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cccc(C)c1 ZINC000876545633 590213472 /nfs/dbraw/zinc/21/34/72/590213472.db2.gz RAKSOIKETISYPN-LLVKDONJSA-N 1 0 238.718 2.403 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000876546809 590213998 /nfs/dbraw/zinc/21/39/98/590213998.db2.gz WWQIYLVDQMGAPW-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000876549793 590214370 /nfs/dbraw/zinc/21/43/70/590214370.db2.gz JCLMJVJOCVZPGC-INTQDDNPSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000876549500 590214690 /nfs/dbraw/zinc/21/46/90/590214690.db2.gz FEKVLKJNPDIGQB-NSHDSACASA-N 1 0 244.766 2.249 20 30 BEEDRO CCN(CCC#N)Cc1ccc(C)cc1O ZINC000876564101 590216263 /nfs/dbraw/zinc/21/62/63/590216263.db2.gz PLDGZZDYHOMDGM-UHFFFAOYSA-N 1 0 218.300 2.436 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000876599512 590220416 /nfs/dbraw/zinc/22/04/16/590220416.db2.gz DAUGNKVTFHVLQJ-VHSXEESVSA-N 1 0 246.782 2.349 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)n1)C(C)C ZINC000876600138 590220425 /nfs/dbraw/zinc/22/04/25/590220425.db2.gz OFNVOCGFVPFGHC-UHFFFAOYSA-N 1 0 215.300 2.350 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1(C)CCCCC1 ZINC000876605690 590221485 /nfs/dbraw/zinc/22/14/85/590221485.db2.gz WOIOEXDECLDQTK-JTQLQIEISA-N 1 0 244.766 2.295 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC000876623126 590222923 /nfs/dbraw/zinc/22/29/23/590222923.db2.gz VNIAZKMAXRYICG-VIFPVBQESA-N 1 0 232.755 2.007 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000876652054 590225965 /nfs/dbraw/zinc/22/59/65/590225965.db2.gz KLVVZYDZVVNRKO-LSJOCFKGSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC000876653550 590226270 /nfs/dbraw/zinc/22/62/70/590226270.db2.gz OBVGFCZUBZVSKB-SNVBAGLBSA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000876652053 590226360 /nfs/dbraw/zinc/22/63/60/590226360.db2.gz KLVVZYDZVVNRKO-FBIMIBRVSA-N 1 0 244.766 2.151 20 30 BEEDRO N#CC1CC[NH+](CC2CCSCC2)CC1 ZINC000876652991 590226447 /nfs/dbraw/zinc/22/64/47/590226447.db2.gz JPNNHRJASLBNEJ-UHFFFAOYSA-N 1 0 224.373 2.365 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H](C)CC1(C)C ZINC000876669438 590228592 /nfs/dbraw/zinc/22/85/92/590228592.db2.gz MJXCBKSZXFJECR-PSASIEDQSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H]1CCOC1 ZINC000876690012 590230864 /nfs/dbraw/zinc/23/08/64/590230864.db2.gz DZRCYAZVGLCLNM-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000876701406 590231576 /nfs/dbraw/zinc/23/15/76/590231576.db2.gz AZOHWRATCJTXSH-VHSXEESVSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C[C@H](C)CC ZINC000876698151 590231669 /nfs/dbraw/zinc/23/16/69/590231669.db2.gz MPEWIPCGRKORRX-MWLCHTKSSA-N 1 0 246.782 2.351 20 30 BEEDRO C#CCCCCCC[N@@H+](C)Cc1cc[nH]n1 ZINC000876722442 590233060 /nfs/dbraw/zinc/23/30/60/590233060.db2.gz UXCOOWQAAQQNNU-UHFFFAOYSA-N 1 0 219.332 2.425 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](OC)C1 ZINC000876749746 590237582 /nfs/dbraw/zinc/23/75/82/590237582.db2.gz LZICTTAMZVAFNQ-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CC(C)C ZINC000876882691 590253000 /nfs/dbraw/zinc/25/30/00/590253000.db2.gz OFQRMDREPYIDIW-ZJUUUORDSA-N 1 0 232.755 2.007 20 30 BEEDRO C#CCCCCCC[NH2+]CCn1ccnc1 ZINC000876892207 590254843 /nfs/dbraw/zinc/25/48/43/590254843.db2.gz NDWQDGOCWMBSDI-UHFFFAOYSA-N 1 0 219.332 2.056 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)Cn1ccnc1 ZINC000876930493 590258071 /nfs/dbraw/zinc/25/80/71/590258071.db2.gz XQQSBUKSXLLLPM-AWEZNQCLSA-N 1 0 233.359 2.445 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876979114 590264299 /nfs/dbraw/zinc/26/42/99/590264299.db2.gz UGEQSELLYVGLKW-GHMZBOCLSA-N 1 0 238.375 2.221 20 30 BEEDRO CCCCCCCNC(=O)CC1(C[NH3+])CC1 ZINC000876988288 590265663 /nfs/dbraw/zinc/26/56/63/590265663.db2.gz BEPJUMMCXOVJPY-UHFFFAOYSA-N 1 0 226.364 2.202 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000876988325 590265669 /nfs/dbraw/zinc/26/56/69/590265669.db2.gz BWRHYVQFWBLJJA-CYBMUJFWSA-N 1 0 240.391 2.463 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877019208 590269221 /nfs/dbraw/zinc/26/92/21/590269221.db2.gz WHTURLKTHWFDHJ-UHFFFAOYSA-N 1 0 248.717 2.390 20 30 BEEDRO C=C(Br)C[NH2+]C[C@@H](C)CCC#N ZINC000877019603 590269798 /nfs/dbraw/zinc/26/97/98/590269798.db2.gz AQIYVAYNVAEQGN-QMMMGPOBSA-N 1 0 231.137 2.424 20 30 BEEDRO C#CCCCCCC[NH2+]CCCc1nc(C)no1 ZINC000877024250 590270304 /nfs/dbraw/zinc/27/03/04/590270304.db2.gz WXVCOCBAZGGHHJ-UHFFFAOYSA-N 1 0 249.358 2.484 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@](C)(O)C1CC1 ZINC000877028849 590271705 /nfs/dbraw/zinc/27/17/05/590271705.db2.gz GFMAXXNRTSJJLB-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO CSC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000877065157 590276926 /nfs/dbraw/zinc/27/69/26/590276926.db2.gz HIPJXUYTBICEDW-UHFFFAOYSA-N 1 0 235.356 2.184 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000877070026 590277142 /nfs/dbraw/zinc/27/71/42/590277142.db2.gz JPRHQYFXOAAEFC-ZDUSSCGKSA-N 1 0 234.343 2.088 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000877083902 590280374 /nfs/dbraw/zinc/28/03/74/590280374.db2.gz HHYIQOLGHCEYPG-AWEZNQCLSA-N 1 0 245.370 2.440 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)CC[S@](C)=O ZINC000877088135 590280905 /nfs/dbraw/zinc/28/09/05/590280905.db2.gz BLRVUQBYCIJAGM-BBRMVZONSA-N 1 0 243.416 2.317 20 30 BEEDRO C#CCCCCCC[NH2+]C1(COC)CC1 ZINC000877110571 590286736 /nfs/dbraw/zinc/28/67/36/590286736.db2.gz ZAAQBEFRAWNXAY-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCCC[NH2+]CC(C)(C)CO ZINC000877117198 590288231 /nfs/dbraw/zinc/28/82/31/590288231.db2.gz NJTLSDVRSNKKDQ-UHFFFAOYSA-N 1 0 211.349 2.178 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1cnccn1 ZINC000877131069 590290139 /nfs/dbraw/zinc/29/01/39/590290139.db2.gz TXZBFXYSBWMJPI-UHFFFAOYSA-N 1 0 231.343 2.192 20 30 BEEDRO CC(C)(C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877145381 590292010 /nfs/dbraw/zinc/29/20/10/590292010.db2.gz HKOIWJHINWBUID-UHFFFAOYSA-N 1 0 223.707 2.495 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(C)(C)CC ZINC000877148129 590292042 /nfs/dbraw/zinc/29/20/42/590292042.db2.gz TXZQLWIPBFRJPP-JTQLQIEISA-N 1 0 246.782 2.399 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](CC(C)C)OC ZINC000877149304 590292486 /nfs/dbraw/zinc/29/24/86/590292486.db2.gz LAELPOBTXGXQSV-SNVBAGLBSA-N 1 0 205.729 2.390 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC[C@@H]1C ZINC000877154743 590293273 /nfs/dbraw/zinc/29/32/73/590293273.db2.gz YQEKFYMCZQCQPF-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000877183905 590298150 /nfs/dbraw/zinc/29/81/50/590298150.db2.gz JHFPGTMFMSFBIZ-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C[C@@H](C)O ZINC000877196325 590299528 /nfs/dbraw/zinc/29/95/28/590299528.db2.gz XPKBBRGRQOAQAT-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000877241976 590302380 /nfs/dbraw/zinc/30/23/80/590302380.db2.gz YTDOMTGEYQPKCS-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000877303101 590309646 /nfs/dbraw/zinc/30/96/46/590309646.db2.gz AXTZVXHIRHCLSI-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC[NH2+]C1CC1 ZINC000877303095 590309965 /nfs/dbraw/zinc/30/99/65/590309965.db2.gz ASKJUUMWQQDDRY-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc(Cl)c1N ZINC000877303830 590310421 /nfs/dbraw/zinc/31/04/21/590310421.db2.gz NTTQOHFTEJDYTK-UHFFFAOYSA-N 1 0 223.707 2.316 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000877303368 590310474 /nfs/dbraw/zinc/31/04/74/590310474.db2.gz DRNZMMFIXOXSCU-NEPJUHHUSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000877303210 590311088 /nfs/dbraw/zinc/31/10/88/590311088.db2.gz DICQYHJACRNQSU-NEPJUHHUSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000877339017 590318193 /nfs/dbraw/zinc/31/81/93/590318193.db2.gz PJFYKYNGKHRDKQ-CYBMUJFWSA-N 1 0 249.354 2.371 20 30 BEEDRO C#CCCCCCC[NH2+]CCC1(C)OCCO1 ZINC000877347468 590319116 /nfs/dbraw/zinc/31/91/16/590319116.db2.gz YHBFAQLQHCNONI-UHFFFAOYSA-N 1 0 239.359 2.313 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1ccn(C)n1 ZINC000877353207 590319278 /nfs/dbraw/zinc/31/92/78/590319278.db2.gz NXAUVSPHBOXJDJ-UHFFFAOYSA-N 1 0 233.359 2.136 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391833 590322262 /nfs/dbraw/zinc/32/22/62/590322262.db2.gz DPWJJGNKURFHDQ-HIFRSBDPSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCCC(=O)N(C)CCCCCC[NH3+] ZINC000877439437 590328073 /nfs/dbraw/zinc/32/80/73/590328073.db2.gz JMLSNOOHDRZCAK-UHFFFAOYSA-N 1 0 226.364 2.320 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@](O)(CC)C1 ZINC000877440525 590328233 /nfs/dbraw/zinc/32/82/33/590328233.db2.gz BBZSGDUWTDLYGP-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(C#N)cn1)OC ZINC000877459853 590331676 /nfs/dbraw/zinc/33/16/76/590331676.db2.gz NOYGWISONSLWKD-SMDDNHRTSA-N 1 0 247.342 2.104 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)nc1 ZINC000877460983 590331822 /nfs/dbraw/zinc/33/18/22/590331822.db2.gz ZOCPLLGUVXJPBP-KWCYVHTRSA-N 1 0 241.338 2.479 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC1CC(O)C1 ZINC000877463747 590332115 /nfs/dbraw/zinc/33/21/15/590332115.db2.gz GSQHEFLPAQEKOZ-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1c(C)cccc1OC ZINC000877480509 590336556 /nfs/dbraw/zinc/33/65/56/590336556.db2.gz XPJBOLFJLHALIU-LBPRGKRZSA-N 1 0 217.312 2.457 20 30 BEEDRO COc1cnc(F)c(C[NH2+]CC2(CC#N)CC2)c1 ZINC000877494849 590340699 /nfs/dbraw/zinc/34/06/99/590340699.db2.gz ONYUXZNTBKFLDD-UHFFFAOYSA-N 1 0 249.289 2.013 20 30 BEEDRO Cc1cccc(O)c1C[NH2+]CC1(CC#N)CC1 ZINC000877493432 590340705 /nfs/dbraw/zinc/34/07/05/590340705.db2.gz BFSUGMDXDCWANC-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000877493858 590340887 /nfs/dbraw/zinc/34/08/87/590340887.db2.gz IUIDTGQAWBUEHH-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000877512801 590341246 /nfs/dbraw/zinc/34/12/46/590341246.db2.gz BWIXQAAQGHXSRK-STQMWFEESA-N 1 0 234.343 2.087 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000877513404 590343428 /nfs/dbraw/zinc/34/34/28/590343428.db2.gz VAYLHNTWLCDMLJ-KBPBESRZSA-N 1 0 248.370 2.333 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](OC)[C@@H](C)CC)C(C)C ZINC000877512941 590343458 /nfs/dbraw/zinc/34/34/58/590343458.db2.gz GPLXQYBGFIJDMW-AVGNSLFASA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)ccc1N(C)C ZINC000877512886 590343611 /nfs/dbraw/zinc/34/36/11/590343611.db2.gz FENZJMBVYWOJBQ-ZDUSSCGKSA-N 1 0 234.318 2.393 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C(C)C ZINC000877512870 590344068 /nfs/dbraw/zinc/34/40/68/590344068.db2.gz DVTIRABHRPXCMU-BBBLOLIVSA-N 1 0 201.260 2.278 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CC1CCC1)C(C)C ZINC000877512986 590344219 /nfs/dbraw/zinc/34/42/19/590344219.db2.gz HULDAAHGRQWGRI-OAHLLOKOSA-N 1 0 245.370 2.431 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(F)cc(OCC)c1 ZINC000877514016 590344427 /nfs/dbraw/zinc/34/44/27/590344427.db2.gz GIXHAWPNUAQGFG-JTQLQIEISA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)CCc1cccnc1 ZINC000877513412 590344762 /nfs/dbraw/zinc/34/47/62/590344762.db2.gz VKWUPUKMVAKGCL-GXTWGEPZSA-N 1 0 216.328 2.404 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2ccccc2n1C ZINC000877514671 590346230 /nfs/dbraw/zinc/34/62/30/590346230.db2.gz SONJDHCCKDPHPV-NSHDSACASA-N 1 0 212.296 2.290 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CC(OCC)C1)C(C)(C)C ZINC000877535107 590349756 /nfs/dbraw/zinc/34/97/56/590349756.db2.gz UWWOWSSCODQMSE-WXRRBKDZSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CCCCCCCC[NH2+]Cc1ncnn1C ZINC000877540325 590351306 /nfs/dbraw/zinc/35/13/06/590351306.db2.gz WHSHSWVCCYBVEC-UHFFFAOYSA-N 1 0 236.363 2.431 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)[C@@H](C)CO ZINC000877551846 590355051 /nfs/dbraw/zinc/35/50/51/590355051.db2.gz FFYBUMXRMJZUQV-ZDUSSCGKSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[NH2+]C(CF)CF ZINC000877556328 590358234 /nfs/dbraw/zinc/35/82/34/590358234.db2.gz PWXPMEKOCYZRQA-UHFFFAOYSA-N 1 0 203.276 2.467 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](O)C1CCC1 ZINC000877574573 590363281 /nfs/dbraw/zinc/36/32/81/590363281.db2.gz NSQYMOQIBNBXJS-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(C#N)CCC2)c(O)c1 ZINC000877594331 590369761 /nfs/dbraw/zinc/36/97/61/590369761.db2.gz FMLNLQGMVYHUOG-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO C#CCCCCCC[NH2+]C1CCN(OC)CC1 ZINC000877596911 590370453 /nfs/dbraw/zinc/37/04/53/590370453.db2.gz VHXYTWZDFCRGGU-UHFFFAOYSA-N 1 0 238.375 2.186 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(C)ns2)C1 ZINC000877616307 590375085 /nfs/dbraw/zinc/37/50/85/590375085.db2.gz AJWJXIQMCXULBQ-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C1(CO)CC1 ZINC000877624260 590375445 /nfs/dbraw/zinc/37/54/45/590375445.db2.gz CMNLJUHSPXILQH-ZDUSSCGKSA-N 1 0 223.360 2.321 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C#N)CC1)C1CCOCC1 ZINC000877635967 590380607 /nfs/dbraw/zinc/38/06/07/590380607.db2.gz JEQFZSVHSMNRAH-PESDSKBTSA-N 1 0 246.354 2.087 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H](OC)[C@H](C)CC ZINC000877641107 590382186 /nfs/dbraw/zinc/38/21/86/590382186.db2.gz LZXWLYOJDNITCO-ZIAGYGMSSA-N 1 0 241.375 2.019 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000877660837 590386771 /nfs/dbraw/zinc/38/67/71/590386771.db2.gz RSUOXSKXBHIUDK-MJBXVCDLSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CCc1cccnc1 ZINC000877662084 590387489 /nfs/dbraw/zinc/38/74/89/590387489.db2.gz MMBIHQKIAAWZFF-UKRRQHHQSA-N 1 0 246.354 2.031 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CCc1cccnc1 ZINC000877662083 590387667 /nfs/dbraw/zinc/38/76/67/590387667.db2.gz MMBIHQKIAAWZFF-HIFRSBDPSA-N 1 0 246.354 2.031 20 30 BEEDRO C=C(Cl)C[C@H](NC[C@H]1C[C@H]1C)C(=O)OCC ZINC000877672080 590389637 /nfs/dbraw/zinc/38/96/37/590389637.db2.gz VXFFIFRKPPCVMI-IEBDPFPHSA-N 1 0 245.750 2.306 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(C(=O)OC)C1 ZINC000877722001 590401758 /nfs/dbraw/zinc/40/17/58/590401758.db2.gz IGFOWHMZZIKKJD-DMOGRIERSA-N 1 0 225.332 2.128 20 30 BEEDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000877752658 590415495 /nfs/dbraw/zinc/41/54/95/590415495.db2.gz HAIIRBRYPBYCFY-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCOC1 ZINC000126697034 590417292 /nfs/dbraw/zinc/41/72/92/590417292.db2.gz XZTSJKIODSVMEK-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC(OC(C)(C)C)C1 ZINC000877769521 590421265 /nfs/dbraw/zinc/42/12/65/590421265.db2.gz DPFCKJCBALHVIH-NSHDSACASA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]C1CCC(C#N)CC1 ZINC000877778349 590423122 /nfs/dbraw/zinc/42/31/22/590423122.db2.gz MWEPRVGTHKNYNF-QCXCNERSSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000877803193 590425251 /nfs/dbraw/zinc/42/52/51/590425251.db2.gz FKWQZNDCNCNLTH-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2snnc2C)CC1 ZINC000877834538 590430431 /nfs/dbraw/zinc/43/04/31/590430431.db2.gz UPVJJUAAFWHEBF-XYPYZODXSA-N 1 0 235.356 2.128 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836488 590431857 /nfs/dbraw/zinc/43/18/57/590431857.db2.gz YNKRQBAWSQUSAV-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+](CC)CCCC ZINC000877907597 590445386 /nfs/dbraw/zinc/44/53/86/590445386.db2.gz GICZRPIJZNTCGE-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+](CC)CCCC ZINC000877907596 590445537 /nfs/dbraw/zinc/44/55/37/590445537.db2.gz GICZRPIJZNTCGE-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+](CC)CC(C)C ZINC000877959220 590446685 /nfs/dbraw/zinc/44/66/85/590446685.db2.gz SMNBDLYWVBBSGI-LLVKDONJSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC)C1 ZINC000877927779 590449054 /nfs/dbraw/zinc/44/90/54/590449054.db2.gz DWARZSSVVQJAEM-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000877925656 590449124 /nfs/dbraw/zinc/44/91/24/590449124.db2.gz CWFINIDXDSTNNP-AWEZNQCLSA-N 1 0 245.370 2.164 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CC)C1 ZINC000877927780 590449386 /nfs/dbraw/zinc/44/93/86/590449386.db2.gz DWARZSSVVQJAEM-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)CC1 ZINC000878001987 590469953 /nfs/dbraw/zinc/46/99/53/590469953.db2.gz JUYNXQGMBMGVHA-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC(C)(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000878045789 590479791 /nfs/dbraw/zinc/47/97/91/590479791.db2.gz ZCXSIEVRQOQGQX-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000878069920 590486136 /nfs/dbraw/zinc/48/61/36/590486136.db2.gz ZJRDOIDYSVRWLU-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC(C=C)CC1 ZINC000878093331 590491634 /nfs/dbraw/zinc/49/16/34/590491634.db2.gz IEYFZAPBPGYQPM-GFCCVEGCSA-N 1 0 223.316 2.002 20 30 BEEDRO C=CC[C@H](C)N(C)Cc1nc([C@H](C)OC)no1 ZINC000878162253 590511659 /nfs/dbraw/zinc/51/16/59/590511659.db2.gz LSNOVJUXBVANMA-UWVGGRQHSA-N 1 0 239.319 2.173 20 30 BEEDRO C=CC[C@@H](C)N(C)Cc1nc([C@H](C)OC)no1 ZINC000878162255 590511838 /nfs/dbraw/zinc/51/18/38/590511838.db2.gz LSNOVJUXBVANMA-ZJUUUORDSA-N 1 0 239.319 2.173 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(CC)C1 ZINC000878187565 590519344 /nfs/dbraw/zinc/51/93/44/590519344.db2.gz CPGATMZBIAXNOQ-WCQYABFASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000878192568 590521875 /nfs/dbraw/zinc/52/18/75/590521875.db2.gz FYGJGOZTTAZLJM-CMPLNLGQSA-N 1 0 234.347 2.257 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000878203454 590523828 /nfs/dbraw/zinc/52/38/28/590523828.db2.gz PXMOYYGACYXQLO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCCC[N@@H+](C)Cc1cn[nH]c1 ZINC000878263356 590530432 /nfs/dbraw/zinc/53/04/32/590530432.db2.gz HUNQOFDYVXWBIO-UHFFFAOYSA-N 1 0 205.305 2.035 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](OCCOCC)C1 ZINC000878290811 590535430 /nfs/dbraw/zinc/53/54/30/590535430.db2.gz CHUNWWJWGMVCSV-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000878302570 590538563 /nfs/dbraw/zinc/53/85/63/590538563.db2.gz QVEJNZCGIWLALY-RYUDHWBXSA-N 1 0 219.332 2.174 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(Cc2cccnc2)CC1 ZINC000878309488 590539328 /nfs/dbraw/zinc/53/93/28/590539328.db2.gz DQEOPXHSSGGGQW-CQSZACIVSA-N 1 0 245.370 2.164 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000878309382 590539913 /nfs/dbraw/zinc/53/99/13/590539913.db2.gz MIVZOZXTPHEOAQ-CQSZACIVSA-N 1 0 245.370 2.164 20 30 BEEDRO C#CCCN1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000878313505 590540960 /nfs/dbraw/zinc/54/09/60/590540960.db2.gz YLROYJDJRPMLDP-AWEZNQCLSA-N 1 0 236.403 2.310 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000878313149 590541135 /nfs/dbraw/zinc/54/11/35/590541135.db2.gz UUCJMPZPICEUJI-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC2(CCOC2)CC1 ZINC000878318123 590544367 /nfs/dbraw/zinc/54/43/67/590544367.db2.gz ZBFKGGABUWGIHW-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000878329285 590547248 /nfs/dbraw/zinc/54/72/48/590547248.db2.gz WUUKOFWTXLELSP-IJLUTSLNSA-N 1 0 225.332 2.082 20 30 BEEDRO C#CC[C@H]([NH2+]CCN(C#N)CC)c1ccccc1 ZINC000878363155 590554877 /nfs/dbraw/zinc/55/48/77/590554877.db2.gz SKTSEZWWGMLZFS-HNNXBMFYSA-N 1 0 241.338 2.144 20 30 BEEDRO C#CC[C@@H]([NH2+]CCN(C#N)CC)c1ccccc1 ZINC000878363156 590554914 /nfs/dbraw/zinc/55/49/14/590554914.db2.gz SKTSEZWWGMLZFS-OAHLLOKOSA-N 1 0 241.338 2.144 20 30 BEEDRO CC(C)[C@@H](O)CC[NH+]1CCC(CC#N)CC1 ZINC000878396203 590559793 /nfs/dbraw/zinc/55/97/93/590559793.db2.gz JWYZBAOWKLEZBC-ZDUSSCGKSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000878442296 590563389 /nfs/dbraw/zinc/56/33/89/590563389.db2.gz MARWESUUVGFWDB-ONGXEEELSA-N 1 0 211.330 2.336 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000878425812 590565298 /nfs/dbraw/zinc/56/52/98/590565298.db2.gz DUCUUYHFSFXKMU-LLVKDONJSA-N 1 0 205.305 2.254 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCCC(C)(C)O1)C1CC1 ZINC000878434018 590566973 /nfs/dbraw/zinc/56/69/73/590566973.db2.gz GGGFDYAUPUULRL-ZDUSSCGKSA-N 1 0 221.344 2.432 20 30 BEEDRO C=CC[C@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000878447296 590567134 /nfs/dbraw/zinc/56/71/34/590567134.db2.gz LHYTVXOFRKGVGK-STQMWFEESA-N 1 0 227.348 2.077 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1CCO[C@H](COC(C)C)C1 ZINC000878447114 590568975 /nfs/dbraw/zinc/56/89/75/590568975.db2.gz LHYTVXOFRKGVGK-OLZOCXBDSA-N 1 0 227.348 2.077 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C)c(C(=O)OC)c1 ZINC000878462330 590571758 /nfs/dbraw/zinc/57/17/58/590571758.db2.gz UHIFRJUAPHMBRK-UHFFFAOYSA-N 1 0 233.311 2.399 20 30 BEEDRO C#C[C@H](C)N(C)Cc1ccc(C)c(Cl)n1 ZINC000878518002 590585585 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ZINC000879239615 590719155 /nfs/dbraw/zinc/71/91/55/590719155.db2.gz FCJFYXCQVUCDHQ-KGLIPLIRSA-N 1 0 217.312 2.370 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000879242468 590719178 /nfs/dbraw/zinc/71/91/78/590719178.db2.gz DSNGVOHUYRVSEV-CABCVRRESA-N 1 0 229.323 2.208 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000879417425 590759353 /nfs/dbraw/zinc/75/93/53/590759353.db2.gz ZJNDYXGSNUVLDJ-UTUOFQBUSA-N 1 0 229.751 2.364 20 30 BEEDRO C=CCOCC[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879406212 590761819 /nfs/dbraw/zinc/76/18/19/590761819.db2.gz LZTLXQRGKULBCC-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)[C@H]1CCCCO1 ZINC000879410229 590763679 /nfs/dbraw/zinc/76/36/79/590763679.db2.gz OPBBTHAJNGNTFN-CHWSQXEVSA-N 1 0 241.375 2.251 20 30 BEEDRO C[N@H+](CCCC#N)CCc1cccc(C#N)c1 ZINC000879433089 590768832 /nfs/dbraw/zinc/76/88/32/590768832.db2.gz SOKXMKMZTIGPBC-UHFFFAOYSA-N 1 0 227.311 2.336 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 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CCCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610577 590830142 /nfs/dbraw/zinc/83/01/42/590830142.db2.gz SIOJKCKDLZRWHE-KGLIPLIRSA-N 1 0 243.391 2.165 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648615 590841356 /nfs/dbraw/zinc/84/13/56/590841356.db2.gz WIJGAUPCLRKABM-NEPJUHHUSA-N 1 0 235.327 2.370 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879673278 590846304 /nfs/dbraw/zinc/84/63/04/590846304.db2.gz RKZDTMMGWQFPAW-GHMZBOCLSA-N 1 0 247.260 2.123 20 30 BEEDRO N#CCCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879730356 590857085 /nfs/dbraw/zinc/85/70/85/590857085.db2.gz BZGIGCYZNRERBQ-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO C#CCCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735598 590858554 /nfs/dbraw/zinc/85/85/54/590858554.db2.gz ZYCSEOVYCUGGOR-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000879783437 590868313 /nfs/dbraw/zinc/86/83/13/590868313.db2.gz QJRONJWPQZZGMO-GFCCVEGCSA-N 1 0 231.343 2.298 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000879934783 590892171 /nfs/dbraw/zinc/89/21/71/590892171.db2.gz XISXEKNTZFJDIM-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CO[C@@H](C)C(N)=NOCC1CCCCCC1 ZINC000128093528 590892271 /nfs/dbraw/zinc/89/22/71/590892271.db2.gz MWBQGMYIILKSMJ-JTQLQIEISA-N 1 0 228.336 2.281 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879963084 590898870 /nfs/dbraw/zinc/89/88/70/590898870.db2.gz FJXMOEXMYKYNNL-QWHCGFSZSA-N 1 0 223.360 2.271 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880009175 590906557 /nfs/dbraw/zinc/90/65/57/590906557.db2.gz GIPZMCIWTBFDHM-NSHDSACASA-N 1 0 220.341 2.264 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](CCC(=O)OC)C1 ZINC000880038202 590913805 /nfs/dbraw/zinc/91/38/05/590913805.db2.gz SLKFMDXORNANGO-LLVKDONJSA-N 1 0 245.750 2.404 20 30 BEEDRO C=CCC[N@@H+]1CCO[C@H](C(F)(F)F)CC1 ZINC000880047485 590915501 /nfs/dbraw/zinc/91/55/01/590915501.db2.gz SBKURPPEBRSHID-VIFPVBQESA-N 1 0 223.238 2.216 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880061870 590916311 /nfs/dbraw/zinc/91/63/11/590916311.db2.gz CQLBSGXUDCIDRY-GHMZBOCLSA-N 1 0 249.276 2.442 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000880108130 590925879 /nfs/dbraw/zinc/92/58/79/590925879.db2.gz OJBXKGQZGHLZPR-SNVBAGLBSA-N 1 0 232.331 2.376 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000880121089 590929024 /nfs/dbraw/zinc/92/90/24/590929024.db2.gz BMKJVXUGCWKXAF-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880237637 590967693 /nfs/dbraw/zinc/96/76/93/590967693.db2.gz ZEFBMNVCXZXGEF-UTUOFQBUSA-N 1 0 210.296 2.360 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880298517 590992315 /nfs/dbraw/zinc/99/23/15/590992315.db2.gz CRDKJGPDXAAXHR-GFCCVEGCSA-N 1 0 248.301 2.358 20 30 BEEDRO C=CCC[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880350183 591008962 /nfs/dbraw/zinc/00/89/62/591008962.db2.gz PLRAYDHXOXXBFD-UHFFFAOYSA-N 1 0 245.322 2.407 20 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C=CC(C)(C)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000880779196 591140345 /nfs/dbraw/zinc/14/03/45/591140345.db2.gz GBYISUGNVDQATQ-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C)nc1C#N ZINC000881907875 591277365 /nfs/dbraw/zinc/27/73/65/591277365.db2.gz GNLSTDUGQCMUOE-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[C@@H](SCC[NH+](CC)CC)C(=O)OC ZINC000882129217 591302698 /nfs/dbraw/zinc/30/26/98/591302698.db2.gz KNVGMYIXQOCQCN-LLVKDONJSA-N 1 0 245.388 2.179 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C1CCOCC1 ZINC000129764522 591401134 /nfs/dbraw/zinc/40/11/34/591401134.db2.gz RLVHOZKREYYLST-SECBINFHSA-N 1 0 203.713 2.144 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000130463293 591473363 /nfs/dbraw/zinc/47/33/63/591473363.db2.gz TWWGDOQBOLCCGR-VIFPVBQESA-N 1 0 207.273 2.065 20 30 BEEDRO C#CCCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883020012 591518473 /nfs/dbraw/zinc/51/84/73/591518473.db2.gz MNNGJJWUOOSNEH-UHFFFAOYSA-N 1 0 205.305 2.036 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883083074 591537275 /nfs/dbraw/zinc/53/72/75/591537275.db2.gz ZFTCBAJKHMZVKD-CRWXNKLISA-N 1 0 223.360 2.339 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CO[C@H](CC)C2)cc1 ZINC000883132496 591546295 /nfs/dbraw/zinc/54/62/95/591546295.db2.gz SWFAABSZMDAJLW-HUUCEWRRSA-N 1 0 229.323 2.325 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000883157063 591556391 /nfs/dbraw/zinc/55/63/91/591556391.db2.gz LGVXKMYHFFFURA-IUODEOHRSA-N 1 0 249.329 2.293 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883166544 591558216 /nfs/dbraw/zinc/55/82/16/591558216.db2.gz CNQVDYKSCNJGKT-UHFFFAOYSA-N 1 0 219.240 2.052 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCOC1)[C@H]1CCCO1 ZINC000883176446 591563308 /nfs/dbraw/zinc/56/33/08/591563308.db2.gz CNJVFSIHNAKDLO-HZSPNIEDSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(C)COC1)[C@H]1CCCO1 ZINC000883188989 591566570 /nfs/dbraw/zinc/56/65/70/591566570.db2.gz VMVOJSPDIRWVRH-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](CC)CCO)[C@@H]1CCCO1 ZINC000883192342 591567811 /nfs/dbraw/zinc/56/78/11/591567811.db2.gz XFCCPCBNAXRVEB-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@H](O)CC)[C@H]1CCCO1 ZINC000883198230 591570288 /nfs/dbraw/zinc/57/02/88/591570288.db2.gz CSSOBYMBDFYTDF-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CO)[C@@H]1CCCO1 ZINC000883208088 591574469 /nfs/dbraw/zinc/57/44/69/591574469.db2.gz ZCWLILCDSYSFSJ-OLZOCXBDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCCO1 ZINC000883223423 591577703 /nfs/dbraw/zinc/57/77/03/591577703.db2.gz PAJCLHOKWGMOSB-KBPBESRZSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000883225817 591577781 /nfs/dbraw/zinc/57/77/81/591577781.db2.gz NLDSJTMBJHLMII-MCIONIFRSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](C)OC)[C@H]1CCCO1 ZINC000883235092 591581562 /nfs/dbraw/zinc/58/15/62/591581562.db2.gz UPDOQFSWFUZNAN-YNEHKIRRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)[C@H]1CCCO1 ZINC000883239942 591584758 /nfs/dbraw/zinc/58/47/58/591584758.db2.gz AMNVZTKICSFGJH-XDQVBPFNSA-N 1 0 239.359 2.267 20 30 BEEDRO C=C/C=C\CC[NH2+]Cc1cn(CCC=C)nn1 ZINC000883259935 591597598 /nfs/dbraw/zinc/59/75/98/591597598.db2.gz FGOPGMPUJTXZLK-ALCCZGGFSA-N 1 0 232.331 2.076 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000883272860 591604309 /nfs/dbraw/zinc/60/43/09/591604309.db2.gz XWVKHUIKBYZKHM-FVCCEPFGSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000883272859 591604407 /nfs/dbraw/zinc/60/44/07/591604407.db2.gz XWVKHUIKBYZKHM-FDYHWXHSSA-N 1 0 222.332 2.083 20 30 BEEDRO CCN1CC[C@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000883356326 591627980 /nfs/dbraw/zinc/62/79/80/591627980.db2.gz LDOTYOUGMSESSG-MOKVOYLWSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CC1([NH2+]Cc2conc2C)CCCC1 ZINC000883361483 591630238 /nfs/dbraw/zinc/63/02/38/591630238.db2.gz DZHPYFXWKKABFT-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CC1(NCc2ncc(Cl)n2C)CCCC1 ZINC000883362799 591630623 /nfs/dbraw/zinc/63/06/23/591630623.db2.gz OBZQNCQKIRRQCA-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CC1([NH2+]C[C@H]2CCSC2)CCCC1 ZINC000883362748 591631314 /nfs/dbraw/zinc/63/13/14/591631314.db2.gz MXKFONLCRLBOKO-LLVKDONJSA-N 1 0 209.358 2.275 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1csc(C)n1 ZINC000883390787 591637310 /nfs/dbraw/zinc/63/73/10/591637310.db2.gz UJDHNAKYQHBKQK-ONGXEEELSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000883392415 591639120 /nfs/dbraw/zinc/63/91/20/591639120.db2.gz HHJRPEAEMWWVBC-UPJWGTAASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000883392754 591639500 /nfs/dbraw/zinc/63/95/00/591639500.db2.gz OADSCKNOOXXVGL-SDDRHHMPSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccco1 ZINC000883389353 591640101 /nfs/dbraw/zinc/64/01/01/591640101.db2.gz OYJIEXPHVHUEKI-QWRGUYRKSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000883390261 591641055 /nfs/dbraw/zinc/64/10/55/591641055.db2.gz IRIDDLMBNUVSJD-NWDGAFQWSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000883389982 591641400 /nfs/dbraw/zinc/64/14/00/591641400.db2.gz CKFAIRJMSQNWPM-MFKMUULPSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCC[C@H]1C ZINC000883389553 591641433 /nfs/dbraw/zinc/64/14/33/591641433.db2.gz TXFOVZIQLOVDTK-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000883390279 591641604 /nfs/dbraw/zinc/64/16/04/591641604.db2.gz IXFGVRYTTSIDAO-DGCLKSJQSA-N 1 0 249.358 2.071 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000883390585 591642660 /nfs/dbraw/zinc/64/26/60/591642660.db2.gz PLMZKVSXEOUIDW-JQWIXIFHSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CCCC)COC ZINC000883390981 591642700 /nfs/dbraw/zinc/64/27/00/591642700.db2.gz YYVWIOUHSXMZEL-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccccn1 ZINC000883390479 591642988 /nfs/dbraw/zinc/64/29/88/591642988.db2.gz MWNYJWPQKBSSON-NWDGAFQWSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCCc2cccnc21 ZINC000883391505 591643363 /nfs/dbraw/zinc/64/33/63/591643363.db2.gz MAUVNNJDPJHUHX-UONOGXRCSA-N 1 0 246.354 2.376 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000883392118 591643893 /nfs/dbraw/zinc/64/38/93/591643893.db2.gz APCHBBHOEXMFQV-OLZOCXBDSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000883392983 591644553 /nfs/dbraw/zinc/64/45/53/591644553.db2.gz SMKDYQIQEXNYHN-QWRGUYRKSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000883392984 591644643 /nfs/dbraw/zinc/64/46/43/591644643.db2.gz SMKDYQIQEXNYHN-WDEREUQCSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CCc1cccnc1 ZINC000883392975 591645151 /nfs/dbraw/zinc/64/51/51/591645151.db2.gz SKASVPGMEFQSFG-UKRRQHHQSA-N 1 0 248.370 2.319 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883392624 591645192 /nfs/dbraw/zinc/64/51/92/591645192.db2.gz LHMQNYARCOOMME-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCCSCC1 ZINC000883392498 591645391 /nfs/dbraw/zinc/64/53/91/591645391.db2.gz JCFMEMVSUURUOL-RYUDHWBXSA-N 1 0 229.389 2.189 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1nc2ccccc2o1 ZINC000883400666 591647105 /nfs/dbraw/zinc/64/71/05/591647105.db2.gz SCKXUYVEBSNLCD-NSHDSACASA-N 1 0 246.310 2.245 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000883400811 591647537 /nfs/dbraw/zinc/64/75/37/591647537.db2.gz VWDQFVPRWIDYHX-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000883400133 591647751 /nfs/dbraw/zinc/64/77/51/591647751.db2.gz FLXACLJCELEMEV-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccccc1C ZINC000883401178 591648627 /nfs/dbraw/zinc/64/86/27/591648627.db2.gz FFVATQMLTMGWEV-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000883401323 591648783 /nfs/dbraw/zinc/64/87/83/591648783.db2.gz KBKBFRWODQNMIY-AWEZNQCLSA-N 1 0 247.338 2.038 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000883451705 591672949 /nfs/dbraw/zinc/67/29/49/591672949.db2.gz VRWIHGVEZQIXQI-HNNXBMFYSA-N 1 0 246.354 2.218 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](C)COC)cc1 ZINC000131903542 591675003 /nfs/dbraw/zinc/67/50/03/591675003.db2.gz MSMNRKLDAYDQLD-CHWSQXEVSA-N 1 0 247.338 2.384 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H](C)COC)cc1 ZINC000131903346 591675490 /nfs/dbraw/zinc/67/54/90/591675490.db2.gz MSMNRKLDAYDQLD-QWHCGFSZSA-N 1 0 247.338 2.384 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000132340716 591702383 /nfs/dbraw/zinc/70/23/83/591702383.db2.gz XBRGPLWYMFBYKG-UGFHNGPFSA-N 1 0 244.338 2.370 20 30 BEEDRO [NH2+]=C(NCCc1ccco1)NC1CCCCCC1 ZINC000133149279 591769472 /nfs/dbraw/zinc/76/94/72/591769472.db2.gz TWBRCYWBFRPDIS-UHFFFAOYSA-N 1 0 249.358 2.449 20 30 BEEDRO C=CCCC[C@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000884005449 591794070 /nfs/dbraw/zinc/79/40/70/591794070.db2.gz HZNOTFRQDJDDAA-AWEZNQCLSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC1([NH3+])CCCCC1 ZINC000884007676 591795208 /nfs/dbraw/zinc/79/52/08/591795208.db2.gz KKEABPRJNCECOY-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]C(C)C ZINC000884025597 591806806 /nfs/dbraw/zinc/80/68/06/591806806.db2.gz AYWMNTFUWIMONW-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C[NH3+])CCCC ZINC000884042769 591824957 /nfs/dbraw/zinc/82/49/57/591824957.db2.gz HMMARKJUHVGCRT-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO CC#CCCCC(=O)OCCC[NH+]1CCCC1 ZINC000800203613 591838108 /nfs/dbraw/zinc/83/81/08/591838108.db2.gz VXRKCKFSAUNCDH-UHFFFAOYSA-N 1 0 237.343 2.209 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000884287103 591894623 /nfs/dbraw/zinc/89/46/23/591894623.db2.gz SRABUVPLSYYATL-NQBHXWOUSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)CCCC[NH3+] ZINC000884291863 591896016 /nfs/dbraw/zinc/89/60/16/591896016.db2.gz JUYRRKLPKOJTLR-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(Cl)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000134421846 591926735 /nfs/dbraw/zinc/92/67/35/591926735.db2.gz IDCYMUMQXSOKQR-SECBINFHSA-N 1 0 205.729 2.078 20 30 BEEDRO COCCO[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884434818 591933739 /nfs/dbraw/zinc/93/37/39/591933739.db2.gz YNOFPBYFQWEIGO-UHFFFAOYSA-N 1 0 236.315 2.273 20 30 BEEDRO CC(=[NH+]NC[C@H](C)C#N)c1c(C)cc(N)cc1C ZINC000884441697 591935019 /nfs/dbraw/zinc/93/50/19/591935019.db2.gz NNKNSELFADVGEB-SECBINFHSA-N 1 0 244.342 2.359 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000134592177 591939321 /nfs/dbraw/zinc/93/93/21/591939321.db2.gz YBNASONAFOKFJG-SNVBAGLBSA-N 1 0 205.305 2.172 20 30 BEEDRO C=CC(C)(C)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000884461263 591941115 /nfs/dbraw/zinc/94/11/15/591941115.db2.gz ZTECQSZZLJZWCN-UHFFFAOYSA-N 1 0 236.359 2.071 20 30 BEEDRO C#CCCCC[NH2+]C1CCC(OC)CC1 ZINC000134878467 591954553 /nfs/dbraw/zinc/95/45/53/591954553.db2.gz QLTCNSDHFRAMBB-UHFFFAOYSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)c1ccco1 ZINC000134911865 591958690 /nfs/dbraw/zinc/95/86/90/591958690.db2.gz BKEGYNDIOCNGTR-WDEREUQCSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)c1ccco1 ZINC000134911826 591958772 /nfs/dbraw/zinc/95/87/72/591958772.db2.gz BKEGYNDIOCNGTR-QWRGUYRKSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CC[C@@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000884507341 591959930 /nfs/dbraw/zinc/95/99/30/591959930.db2.gz AONVCMZFVNHLHI-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO COc1ccc(C[NH2+]CC(C)(C)OC)cc1C#N ZINC000135229606 591997669 /nfs/dbraw/zinc/99/76/69/591997669.db2.gz NYIQJJHBBVDKGD-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000885943895 592111797 /nfs/dbraw/zinc/11/17/97/592111797.db2.gz FWZHXSXWCGCZEQ-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)C1CCCC1 ZINC000885941076 592111945 /nfs/dbraw/zinc/11/19/45/592111945.db2.gz ZMGUCNBZAWRPLF-CYBMUJFWSA-N 1 0 236.359 2.306 20 30 BEEDRO CC(C)CC[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885959713 592115513 /nfs/dbraw/zinc/11/55/13/592115513.db2.gz BQBMMKKTKMJKHG-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO CC1(C)CCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885983267 592121365 /nfs/dbraw/zinc/12/13/65/592121365.db2.gz BLHSNRUBACSNSX-GFCCVEGCSA-N 1 0 236.359 2.306 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886004454 592128322 /nfs/dbraw/zinc/12/83/22/592128322.db2.gz XRELWYZPNGVURN-ZDUSSCGKSA-N 1 0 234.343 2.083 20 30 BEEDRO C=C1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886004453 592128397 /nfs/dbraw/zinc/12/83/97/592128397.db2.gz XRELWYZPNGVURN-CYBMUJFWSA-N 1 0 234.343 2.083 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1C[C@]12CCOC2 ZINC000886030327 592137142 /nfs/dbraw/zinc/13/71/42/592137142.db2.gz JIJSTNNMZMUSIW-KBPBESRZSA-N 1 0 234.343 2.039 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886037306 592137802 /nfs/dbraw/zinc/13/78/02/592137802.db2.gz HTZDCGKJYKGNBZ-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](C3CC3)C2)CCC1 ZINC000886098737 592147646 /nfs/dbraw/zinc/14/76/46/592147646.db2.gz QOKLBHLZRLFCCZ-KGLIPLIRSA-N 1 0 248.370 2.163 20 30 BEEDRO Cc1n[nH]c(C[NH2+]CC2CCC(C#N)CC2)c1C ZINC000886104875 592155599 /nfs/dbraw/zinc/15/55/99/592155599.db2.gz MROCXKNWNSLMDG-UHFFFAOYSA-N 1 0 246.358 2.446 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886118859 592157890 /nfs/dbraw/zinc/15/78/90/592157890.db2.gz RHHRFLSCHNZLAS-GXTWGEPZSA-N 1 0 234.343 2.039 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886123380 592158195 /nfs/dbraw/zinc/15/81/95/592158195.db2.gz XUSBQFUOYPFYHT-KBPBESRZSA-N 1 0 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ZINC000886660772 592292951 /nfs/dbraw/zinc/29/29/51/592292951.db2.gz FVJWLVQFMWAGNM-HIFRSBDPSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CCCC)C1 ZINC000886659723 592293119 /nfs/dbraw/zinc/29/31/19/592293119.db2.gz UHQUHZRVFTUTFY-KGLIPLIRSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@H]2C)C1 ZINC000886662771 592294164 /nfs/dbraw/zinc/29/41/64/592294164.db2.gz LWHIRWCZAHTSJA-LXTVHRRPSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000886662541 592294192 /nfs/dbraw/zinc/29/41/92/592294192.db2.gz GJMMPRMYZWXXJH-ARFHVFGLSA-N 1 0 246.398 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CCC2CC2)C1 ZINC000886662831 592294298 /nfs/dbraw/zinc/29/42/98/592294298.db2.gz MVIDRJGGLRMBED-DZGCQCFKSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000886662301 592294673 /nfs/dbraw/zinc/29/46/73/592294673.db2.gz BEFONLPHYPAASE-SHARSMKWSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2CC(C(C)C)C2)C1 ZINC000886662302 592294873 /nfs/dbraw/zinc/29/48/73/592294873.db2.gz BEFONLPHYPAASE-SLTAFYQDSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000886663008 592294877 /nfs/dbraw/zinc/29/48/77/592294877.db2.gz RELILGVQKLTNRT-KBPBESRZSA-N 1 0 232.371 2.006 20 30 BEEDRO Cc1[nH]c(C2CCN(CCC#N)CC2)[nH+]c1C ZINC000886670625 592297542 /nfs/dbraw/zinc/29/75/42/592297542.db2.gz SPFBCKYEPXFVGD-UHFFFAOYSA-N 1 0 232.331 2.120 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H](c2ncccn2)C1 ZINC000886677339 592299946 /nfs/dbraw/zinc/29/99/46/592299946.db2.gz VVJSZXRYRVMQBI-LLVKDONJSA-N 1 0 237.734 2.409 20 30 BEEDRO CC1(C)CO[C@H](CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000886717840 592310611 /nfs/dbraw/zinc/31/06/11/592310611.db2.gz KDNMJVAJKQOKRY-RWMBFGLXSA-N 1 0 236.359 2.473 20 30 BEEDRO CC#CCCN1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716109 592310810 /nfs/dbraw/zinc/31/08/10/592310810.db2.gz OGBNITWNYSHTAP-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886757287 592318407 /nfs/dbraw/zinc/31/84/07/592318407.db2.gz BQDIPOPGBINXOE-VIFPVBQESA-N 1 0 240.376 2.112 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886809284 592334754 /nfs/dbraw/zinc/33/47/54/592334754.db2.gz YPMGSBXFAZUDNA-JTQLQIEISA-N 1 0 237.265 2.199 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808579 592336418 /nfs/dbraw/zinc/33/64/18/592336418.db2.gz LLTPKFCLJPRCCU-JTQLQIEISA-N 1 0 237.265 2.199 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)C1 ZINC000886818628 592340374 /nfs/dbraw/zinc/34/03/74/592340374.db2.gz HNKZDESPJHKYMH-MQYQWHSLSA-N 1 0 234.343 2.180 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2F ZINC000886923366 592397756 /nfs/dbraw/zinc/39/77/56/592397756.db2.gz YSEVUKXAXOHPOC-UONOGXRCSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C(Cl)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886974440 592403698 /nfs/dbraw/zinc/40/36/98/592403698.db2.gz ZVUKMVHUTMZMCZ-UHFFFAOYSA-N 1 0 229.751 2.414 20 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CC[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000222150484 592468049 /nfs/dbraw/zinc/46/80/49/592468049.db2.gz LRZRBJKDBYXOPD-BXUZGUMPSA-N 1 0 232.327 2.322 20 30 BEEDRO CCNC(NCC1(CC2CC2)CC1)=[NH+]CC ZINC000887324032 592480504 /nfs/dbraw/zinc/48/05/04/592480504.db2.gz PFTOOHHETRQHBU-UHFFFAOYSA-N 1 0 223.364 2.142 20 30 BEEDRO CCNC(NCC[C@H]1CCCC1(F)F)=[NH+]CC ZINC000887323710 592481011 /nfs/dbraw/zinc/48/10/11/592481011.db2.gz FFHHTGCLWWVGGA-SNVBAGLBSA-N 1 0 247.333 2.387 20 30 BEEDRO COc1ccccc1[C@H](C)[NH2+]CCO[C@H](C)C#N ZINC000302370686 592546668 /nfs/dbraw/zinc/54/66/68/592546668.db2.gz KUSGRGDLHHIGNK-NEPJUHHUSA-N 1 0 248.326 2.274 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000302321235 592546790 /nfs/dbraw/zinc/54/67/90/592546790.db2.gz JRGWMCRUOCUSGF-GFCCVEGCSA-N 1 0 233.311 2.148 20 30 BEEDRO [NH2+]=C(NCCc1ccccc1F)N1CCCCC1 ZINC000104156183 592601761 /nfs/dbraw/zinc/60/17/61/592601761.db2.gz SICAKDSEOWYKED-UHFFFAOYSA-N 1 0 249.333 2.169 20 30 BEEDRO 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BEEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000309528466 632468398 /nfs/dbraw/zinc/46/83/98/632468398.db2.gz BKVUWTKEMCTKGG-ZIAGYGMSSA-N 1 0 223.360 2.441 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)c1 ZINC000926552279 632486983 /nfs/dbraw/zinc/48/69/83/632486983.db2.gz TWXAEIKSGFOCPK-SLEUVZQESA-N 1 0 229.323 2.181 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1cncs1 ZINC000308993356 632612343 /nfs/dbraw/zinc/61/23/43/632612343.db2.gz LTWAHWRJIJWOMX-AEJSXWLSSA-N 1 0 221.329 2.486 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000972781578 632666102 /nfs/dbraw/zinc/66/61/02/632666102.db2.gz NRYDHSLVKZTRMS-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)Cc1cccc(F)c1 ZINC000310259227 632711840 /nfs/dbraw/zinc/71/18/40/632711840.db2.gz BWVGTXAXOHRCIJ-NSHDSACASA-N 1 0 236.290 2.186 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1C#N ZINC000310311602 632714827 /nfs/dbraw/zinc/71/48/27/632714827.db2.gz UDLNPBKUMTYCJS-GWCFXTLKSA-N 1 0 230.311 2.455 20 30 BEEDRO Cc1cc(C#N)ccc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000310536314 632757075 /nfs/dbraw/zinc/75/70/75/632757075.db2.gz NMHLXJQQKMHNCA-AWEZNQCLSA-N 1 0 243.354 2.397 20 30 BEEDRO C=CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926686359 632820615 /nfs/dbraw/zinc/82/06/15/632820615.db2.gz VADCJSPFCUOJHO-CYBMUJFWSA-N 1 0 209.333 2.357 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)CC1CCOCC1 ZINC000309236045 632831524 /nfs/dbraw/zinc/83/15/24/632831524.db2.gz XOYQWFDSWXWMJN-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000309243401 632835805 /nfs/dbraw/zinc/83/58/05/632835805.db2.gz XOFJZSFUVHCYEU-NXEZZACHSA-N 1 0 235.249 2.099 20 30 BEEDRO CCNC(NCCc1cccc(C)c1)=[NH+]CC ZINC000066244376 632861618 /nfs/dbraw/zinc/86/16/18/632861618.db2.gz DUOINAWSMFWMPB-UHFFFAOYSA-N 1 0 233.359 2.113 20 30 BEEDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000892521411 632882943 /nfs/dbraw/zinc/88/29/43/632882943.db2.gz SRBPYRJMWLCHRC-GHMZBOCLSA-N 1 0 246.310 2.160 20 30 BEEDRO C#CCCCC[NH2+]Cc1cncn1C(C)C ZINC000229644179 632984690 /nfs/dbraw/zinc/98/46/90/632984690.db2.gz HVGIXJCXOPIQHY-UHFFFAOYSA-N 1 0 219.332 2.357 20 30 BEEDRO C#CCCC[NH2+]Cc1ncc(C)c(OC)c1C ZINC000229838785 632992025 /nfs/dbraw/zinc/99/20/25/632992025.db2.gz ABGCJJVWUYVBAI-UHFFFAOYSA-N 1 0 232.327 2.210 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000229836125 632992858 /nfs/dbraw/zinc/99/28/58/632992858.db2.gz HXGHRAXRLDSICN-LBPRGKRZSA-N 1 0 239.265 2.001 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C)CC1)[C@@H]1CCCO1 ZINC000309389126 633005579 /nfs/dbraw/zinc/00/55/79/633005579.db2.gz FMRBQLXRUYUFLO-PQAZSJQKSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn(C)nc1C1CC1)C(C)(C)C ZINC000894517523 635905725 /nfs/dbraw/zinc/90/57/25/635905725.db2.gz KCCFNURFMYGPIG-ZDUSSCGKSA-N 1 0 245.370 2.435 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000310854340 633011279 /nfs/dbraw/zinc/01/12/79/633011279.db2.gz DNWFGPIFPKKHEC-KBPBESRZSA-N 1 0 244.338 2.370 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)C(C)(C)C ZINC000894517031 635905967 /nfs/dbraw/zinc/90/59/67/635905967.db2.gz CLWQSEPLCHQRET-RYUDHWBXSA-N 1 0 221.344 2.336 20 30 BEEDRO CC[N@@H+]1CCN(Cc2csc(C#N)c2)[C@H](C)C1 ZINC000894405431 635892259 /nfs/dbraw/zinc/89/22/59/635892259.db2.gz KINADMQBASFLAA-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](O)C1(C)C ZINC000311210581 633085059 /nfs/dbraw/zinc/08/50/59/633085059.db2.gz LBLZYOWVOXMJCE-AWEZNQCLSA-N 1 0 244.338 2.212 20 30 BEEDRO C#C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCO1 ZINC000309541927 633193155 /nfs/dbraw/zinc/19/31/55/633193155.db2.gz GRCNGUYNKGUBMX-ZIAGYGMSSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2c1CCOC2 ZINC000894738192 635919899 /nfs/dbraw/zinc/91/98/99/635919899.db2.gz PUYNXJMBWLHJLC-AWEZNQCLSA-N 1 0 229.323 2.261 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000122303659 633205685 /nfs/dbraw/zinc/20/56/85/633205685.db2.gz SMGCDJGIXXFROM-MRVPVSSYSA-N 1 0 227.739 2.436 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccnnc2)CC1 ZINC000926840964 633208664 /nfs/dbraw/zinc/20/86/64/633208664.db2.gz VTMRFDWEJCAHPT-OBJOEFQTSA-N 1 0 229.327 2.319 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2COC[C@@H]2CC)CC1 ZINC000926841202 633209115 /nfs/dbraw/zinc/20/91/15/633209115.db2.gz XNRPGSMSCMPVGA-XUXIUFHCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1nccc2ccccc21 ZINC000309731237 633233984 /nfs/dbraw/zinc/23/39/84/633233984.db2.gz BFKQQQHBILTQGI-NSHDSACASA-N 1 0 210.280 2.346 20 30 BEEDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000304200038 635936303 /nfs/dbraw/zinc/93/63/03/635936303.db2.gz BYIKNOVYRTVTFH-IJLUTSLNSA-N 1 0 242.388 2.179 20 30 BEEDRO CCCCCNC(=[NH2+])N1CCCCCC1 ZINC000305079942 635948359 /nfs/dbraw/zinc/94/83/59/635948359.db2.gz RSTMZXPXOWTBRM-UHFFFAOYSA-N 1 0 211.353 2.367 20 30 BEEDRO CC/[NH+]=C(/N(C)C)N1CCC(CC)(CC)C1 ZINC000428754486 636026600 /nfs/dbraw/zinc/02/66/00/636026600.db2.gz NUBDOVAFEDBPRX-OWBHPGMISA-N 1 0 225.380 2.436 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(C)c1O ZINC000191755936 636048969 /nfs/dbraw/zinc/04/89/69/636048969.db2.gz DALLGRZKWOYXAJ-UHFFFAOYSA-N 1 0 235.327 2.335 20 30 BEEDRO C#CC1CC[NH+](Cc2cn(CC)nc2C)CC1 ZINC000895116691 636063858 /nfs/dbraw/zinc/06/38/58/636063858.db2.gz VWDDUMGFBCWROO-UHFFFAOYSA-N 1 0 231.343 2.057 20 30 BEEDRO C#CCCC[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000163155155 636056961 /nfs/dbraw/zinc/05/69/61/636056961.db2.gz VCRLJTWCVLVGAM-UONOGXRCSA-N 1 0 223.360 2.415 20 30 BEEDRO CC(C)[C@H]1CCCC(=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000794531208 636084758 /nfs/dbraw/zinc/08/47/58/636084758.db2.gz SDRZYEAFHHEMTD-QWRGUYRKSA-N 1 0 236.363 2.126 20 30 BEEDRO Cc1ncoc1C[NH2+]CCc1ccc(C#N)cc1 ZINC000895229212 636122993 /nfs/dbraw/zinc/12/29/93/636122993.db2.gz STDAKVUEQDUICD-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCNc1ccccn1 ZINC000925125726 636128321 /nfs/dbraw/zinc/12/83/21/636128321.db2.gz LHTJHAKXFFLKKM-GFCCVEGCSA-N 1 0 246.358 2.411 20 30 BEEDRO CC(C)CCCC[NH2+]C1CCN(CC#N)CC1 ZINC000892909860 633726643 /nfs/dbraw/zinc/72/66/43/633726643.db2.gz OUGGRCMEYURTIW-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000294021303 633744736 /nfs/dbraw/zinc/74/47/36/633744736.db2.gz NOBBPLGKNYHBJS-INIZCTEOSA-N 1 0 243.350 2.262 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926874578 633760242 /nfs/dbraw/zinc/76/02/42/633760242.db2.gz RENGMZGMHCCFFR-OLZOCXBDSA-N 1 0 236.359 2.211 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@H]1CCCO1 ZINC000309807551 633764170 /nfs/dbraw/zinc/76/41/70/633764170.db2.gz SODDFBHFBMPQHO-RFQIPJPRSA-N 1 0 221.344 2.336 20 30 BEEDRO C=C(Cl)CN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328574169 633779244 /nfs/dbraw/zinc/77/92/44/633779244.db2.gz WODOMHDIDOXGKT-LLVKDONJSA-N 1 0 236.746 2.377 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)CSCCC ZINC000892991561 633799231 /nfs/dbraw/zinc/79/92/31/633799231.db2.gz HBYNWKQQNLAJRS-NSHDSACASA-N 1 0 231.430 2.474 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001019975899 633800359 /nfs/dbraw/zinc/80/03/59/633800359.db2.gz NQGGNPQAJIMAQU-IHRRRGAJSA-N 1 0 248.370 2.156 20 30 BEEDRO C#CCCCC[NH2+][C@@H](COC)CC(C)C ZINC000308970558 633838180 /nfs/dbraw/zinc/83/81/80/633838180.db2.gz ZBSKMKPPGLXVTB-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000309552220 633950963 /nfs/dbraw/zinc/95/09/63/633950963.db2.gz IPARGIHDFBQCRH-VXGBXAGGSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(=O)N(CC)CC ZINC000309930572 633952944 /nfs/dbraw/zinc/95/29/44/633952944.db2.gz XSWZHESVIWBZJY-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)N(CC)CC ZINC000309930575 633953117 /nfs/dbraw/zinc/95/31/17/633953117.db2.gz XSWZHESVIWBZJY-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@@H](CC)CC(=O)OCCC[NH+](C)C ZINC000909525951 636168615 /nfs/dbraw/zinc/16/86/15/636168615.db2.gz STVVDXIZBIGFTO-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2COCC2(C)C)CC1 ZINC000895478260 636149650 /nfs/dbraw/zinc/14/96/50/636149650.db2.gz ZECTWKWHSRQGMJ-AVGNSLFASA-N 1 0 221.344 2.193 20 30 BEEDRO Cc1cc(C#N)ccc1CO[NH+]=C(N)C(C)C ZINC000186005248 634064435 /nfs/dbraw/zinc/06/44/35/634064435.db2.gz PUSNUAAFBBLEMW-UHFFFAOYSA-N 1 0 231.299 2.312 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2snnc2C)C1 ZINC000930884216 634153823 /nfs/dbraw/zinc/15/38/23/634153823.db2.gz ABERCPCOJDLVMV-GHMZBOCLSA-N 1 0 235.356 2.253 20 30 BEEDRO CC(C)=CCNC(=[NH2+])NCCc1ccccc1 ZINC000191150864 634204757 /nfs/dbraw/zinc/20/47/57/634204757.db2.gz NHINGGVGFXXEGT-UHFFFAOYSA-N 1 0 231.343 2.100 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC2(COC2)O1 ZINC000931061984 634208037 /nfs/dbraw/zinc/20/80/37/634208037.db2.gz GDGLUWMFDKPYDE-HZSPNIEDSA-N 1 0 249.354 2.117 20 30 BEEDRO C[C@H]1NCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670935 634253006 /nfs/dbraw/zinc/25/30/06/634253006.db2.gz AWSINOLQQRCJBB-NEPJUHHUSA-N 1 0 223.364 2.046 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000162696203 634286053 /nfs/dbraw/zinc/28/60/53/634286053.db2.gz JIZKQNUTEVZDER-VIFPVBQESA-N 1 0 207.273 2.065 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000925692701 634325221 /nfs/dbraw/zinc/32/52/21/634325221.db2.gz ADPKNNBZTIQRCZ-MELADBBJSA-N 1 0 243.391 2.090 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC2CCC1CC2 ZINC000925699509 634366474 /nfs/dbraw/zinc/36/64/74/634366474.db2.gz WQCAYFSMTOZYIV-YIOUJQMASA-N 1 0 223.360 2.339 20 30 BEEDRO CCCSC[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000893545621 635131960 /nfs/dbraw/zinc/13/19/60/635131960.db2.gz UNPKAPLMPDWYQM-UWVGGRQHSA-N 1 0 200.351 2.267 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC=CC1 ZINC001027802623 635156969 /nfs/dbraw/zinc/15/69/69/635156969.db2.gz RSDOTKKWYBQCBC-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000893568237 635166810 /nfs/dbraw/zinc/16/68/10/635166810.db2.gz SSHNFKWVZHNXEZ-OAHLLOKOSA-N 1 0 248.370 2.307 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000893606425 635228090 /nfs/dbraw/zinc/22/80/90/635228090.db2.gz PCUHLMBRFYVCKB-SNIKSBKOSA-N 1 0 234.343 2.082 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000980922360 635302805 /nfs/dbraw/zinc/30/28/05/635302805.db2.gz RWTKDYBQBNHRCE-QWHCGFSZSA-N 1 0 238.375 2.236 20 30 BEEDRO Cc1ccc(CN[C@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925838341 635499025 /nfs/dbraw/zinc/49/90/25/635499025.db2.gz LRAJHXWITZIADL-WFASDCNBSA-N 1 0 243.354 2.097 20 30 BEEDRO C=CCN1CCC([NH2+]C2CC(SC)C2)CC1 ZINC000924983323 635823872 /nfs/dbraw/zinc/82/38/72/635823872.db2.gz DPJJDTZCTDFVNE-UHFFFAOYSA-N 1 0 240.416 2.120 20 30 BEEDRO C=CCOc1cccc(C[NH+]2CC(COC)C2)c1 ZINC000895970151 636185349 /nfs/dbraw/zinc/18/53/49/636185349.db2.gz BAKLCUHLDDXCFX-UHFFFAOYSA-N 1 0 247.338 2.330 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](CC)C1CCCC1 ZINC000320597488 636281587 /nfs/dbraw/zinc/28/15/87/636281587.db2.gz BWGIPMRMHCYZEJ-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO [NH2+]=C(NCCc1cccc(F)c1)N1CCCCC1 ZINC000303775243 636313743 /nfs/dbraw/zinc/31/37/43/636313743.db2.gz GPTZKQOMVSRVPG-UHFFFAOYSA-N 1 0 249.333 2.169 20 30 BEEDRO CN(C)C(=[NH+]CCCC1CCCC1)N(C)C ZINC000303910087 636316428 /nfs/dbraw/zinc/31/64/28/636316428.db2.gz YOVQEVSIBKBWSZ-UHFFFAOYSA-N 1 0 225.380 2.436 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000305789954 636332446 /nfs/dbraw/zinc/33/24/46/636332446.db2.gz CNZVRSCXUSUZGX-CQSZACIVSA-N 1 0 230.311 2.100 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)C1(Br)CC1 ZINC000925161748 636343942 /nfs/dbraw/zinc/34/39/42/636343942.db2.gz LEFCXNXKJFQQEH-VIFPVBQESA-N 1 0 230.149 2.305 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@H](C)C1 ZINC000925197015 636376125 /nfs/dbraw/zinc/37/61/25/636376125.db2.gz JTRJSANGLTXVQD-STQMWFEESA-N 1 0 237.391 2.246 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccn(C)c1 ZINC000925210742 636389662 /nfs/dbraw/zinc/38/96/62/636389662.db2.gz GRDXEQIZCSHTPK-LLVKDONJSA-N 1 0 219.332 2.443 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1noc2c1COCC2 ZINC000897365756 636492278 /nfs/dbraw/zinc/49/22/78/636492278.db2.gz MNSCTBAXILJXAV-JTQLQIEISA-N 1 0 236.315 2.192 20 30 BEEDRO C#CCCC[NH2+]Cc1ccccc1NC(C)=O ZINC000178667229 636570220 /nfs/dbraw/zinc/57/02/20/636570220.db2.gz FSMNKJCKQHKCJQ-UHFFFAOYSA-N 1 0 230.311 2.148 20 30 BEEDRO CNc1ccccc1C=NNCC(F)(F)F ZINC000872367484 636580697 /nfs/dbraw/zinc/58/06/97/636580697.db2.gz WWAMVHKRTIOBSW-UHFFFAOYSA-N 1 0 231.221 2.214 20 30 BEEDRO C=CCCCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897418094 636624763 /nfs/dbraw/zinc/62/47/63/636624763.db2.gz CHGBELVTEJZRHV-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191769799 636629610 /nfs/dbraw/zinc/62/96/10/636629610.db2.gz KICXOUSAXLCVCV-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C=C(C)C)C1 ZINC000987869590 636672142 /nfs/dbraw/zinc/67/21/42/636672142.db2.gz SVHFQFYALDHCQW-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccoc2)C1 ZINC000988072909 636676829 /nfs/dbraw/zinc/67/68/29/636676829.db2.gz YBHZJTZRVSJANR-DGCLKSJQSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(CC)CC)C1 ZINC000988106962 636678567 /nfs/dbraw/zinc/67/85/67/636678567.db2.gz XCYHKOZJXXOMPK-YPMHNXCESA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCC(N)=[NH+]OCCCCCCO ZINC000179256244 636769396 /nfs/dbraw/zinc/76/93/96/636769396.db2.gz FWBAHXKHEMNILI-UHFFFAOYSA-N 1 0 216.325 2.018 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897649910 636831830 /nfs/dbraw/zinc/83/18/30/636831830.db2.gz CRTWENYZAPAULP-NWDGAFQWSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000989869317 636889062 /nfs/dbraw/zinc/88/90/62/636889062.db2.gz IDFXBOFDWVVMNP-UHFFFAOYSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CC[N@@H+]1CC[C@]2(NC(=O)C3CCC3)CCC[C@@H]12 ZINC000989891638 636891303 /nfs/dbraw/zinc/89/13/03/636891303.db2.gz AOAKWWDIILWXCY-UKRRQHHQSA-N 1 0 248.370 2.086 20 30 BEEDRO C#CCOC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000923827987 636934000 /nfs/dbraw/zinc/93/40/00/636934000.db2.gz SPTZFGXHVNSMGD-UHFFFAOYSA-N 1 0 247.294 2.056 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCN(OCC)CC1 ZINC000323427470 636939528 /nfs/dbraw/zinc/93/95/28/636939528.db2.gz ZJULXBYVUBMXQD-UHFFFAOYSA-N 1 0 226.364 2.204 20 30 BEEDRO C=CCCCOC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000923891211 637005172 /nfs/dbraw/zinc/00/51/72/637005172.db2.gz XPFFXHSFABOLRC-LBPRGKRZSA-N 1 0 225.332 2.369 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)CO ZINC000924702943 637010128 /nfs/dbraw/zinc/01/01/28/637010128.db2.gz YLOPLLASIILFFN-NSHDSACASA-N 1 0 232.327 2.055 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903124146 637344745 /nfs/dbraw/zinc/34/47/45/637344745.db2.gz GWVOIUOELOKOIJ-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C=C(Cl)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903122313 637344931 /nfs/dbraw/zinc/34/49/31/637344931.db2.gz XJGHNIFWXOVJGI-VGPLMAKISA-N 1 0 240.778 2.486 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000904498936 637432191 /nfs/dbraw/zinc/43/21/91/637432191.db2.gz FGBFRKNVCQWRJU-ONGXEEELSA-N 1 0 223.320 2.480 20 30 BEEDRO C=C(C)CCNC(=O)Nc1ccccc1C[NH3+] ZINC000904631709 637447428 /nfs/dbraw/zinc/44/74/28/637447428.db2.gz OJUVSVUJQHLXMC-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1ccccc1C[NH3+] ZINC000904661329 637452553 /nfs/dbraw/zinc/45/25/53/637452553.db2.gz SNEWMHVOGYQALM-SNVBAGLBSA-N 1 0 233.315 2.231 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905160794 637646350 /nfs/dbraw/zinc/64/63/50/637646350.db2.gz SHOXLEPEWQIDOV-OAHLLOKOSA-N 1 0 231.339 2.422 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905160792 637647355 /nfs/dbraw/zinc/64/73/55/637647355.db2.gz SHOXLEPEWQIDOV-HNNXBMFYSA-N 1 0 231.339 2.422 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@](C)(O)C(F)F ZINC000905198898 637692341 /nfs/dbraw/zinc/69/23/41/637692341.db2.gz CEAFFALYGVLRGJ-ONGXEEELSA-N 1 0 221.291 2.337 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905202005 637694572 /nfs/dbraw/zinc/69/45/72/637694572.db2.gz LHKMYMSRSOXSEK-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905292271 637725950 /nfs/dbraw/zinc/72/59/50/637725950.db2.gz PGKDIDNUBDSZCE-ZDUSSCGKSA-N 1 0 234.299 2.040 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905277868 637735524 /nfs/dbraw/zinc/73/55/24/637735524.db2.gz AOPBCMPXBVEZCS-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905424450 637811699 /nfs/dbraw/zinc/81/16/99/637811699.db2.gz GNFFMOOHDLISSV-YPMHNXCESA-N 1 0 236.359 2.067 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CCC=CCC1 ZINC000905492826 637836863 /nfs/dbraw/zinc/83/68/63/637836863.db2.gz QBGMPFDYNCSRBK-ZDUSSCGKSA-N 1 0 236.359 2.376 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H](O)CSC)CC1 ZINC000905565281 637849426 /nfs/dbraw/zinc/84/94/26/637849426.db2.gz RFKJHQJPBWPGNV-LBPRGKRZSA-N 1 0 229.389 2.046 20 30 BEEDRO Cc1nc2c(cccc2CC[NH2+]CCC#N)o1 ZINC000905588996 637855376 /nfs/dbraw/zinc/85/53/76/637855376.db2.gz XCTNAONZPDUNRC-UHFFFAOYSA-N 1 0 229.283 2.182 20 30 BEEDRO CC(C)(C[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000905640767 637880086 /nfs/dbraw/zinc/88/00/86/637880086.db2.gz NXYWYYSWAIYNMD-GFCCVEGCSA-N 1 0 236.359 2.067 20 30 BEEDRO N#CCC[NH2+]CC[C@H]1CCC(F)(F)C1 ZINC000905674554 637887721 /nfs/dbraw/zinc/88/77/21/637887721.db2.gz ISNNJVKDLDYYKS-SECBINFHSA-N 1 0 202.248 2.315 20 30 BEEDRO C=C/C=C/CC[NH2+]C[C@H](C#N)CCC#N ZINC000905781987 637910175 /nfs/dbraw/zinc/91/01/75/637910175.db2.gz XAQSCOZZJCCJCH-PCAWENJQSA-N 1 0 203.289 2.152 20 30 BEEDRO CC1(C)CC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)OC1 ZINC000905773719 637930146 /nfs/dbraw/zinc/93/01/46/637930146.db2.gz DZTIKYADELULNI-OLZOCXBDSA-N 1 0 249.358 2.225 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000905809257 637936591 /nfs/dbraw/zinc/93/65/91/637936591.db2.gz VVTQVSCSPBHKHM-QWHCGFSZSA-N 1 0 247.342 2.121 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCOc1cccnc1C#N ZINC000906507503 638179200 /nfs/dbraw/zinc/17/92/00/638179200.db2.gz NWWLOWNFVAWCHY-LBPRGKRZSA-N 1 0 245.326 2.206 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCON=C1CCC1 ZINC000906502421 638196685 /nfs/dbraw/zinc/19/66/85/638196685.db2.gz SGKMYHRLLAAVDP-GFCCVEGCSA-N 1 0 210.321 2.417 20 30 BEEDRO C=C(Cl)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906743093 638236770 /nfs/dbraw/zinc/23/67/70/638236770.db2.gz MFELKMKAZBSLKG-UHFFFAOYSA-N 1 0 244.766 2.120 20 30 BEEDRO C=C(C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907244004 638329868 /nfs/dbraw/zinc/32/98/68/638329868.db2.gz RXZQRBDRMLHGTB-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)[C@@H]1CC ZINC000907484770 638390290 /nfs/dbraw/zinc/39/02/90/638390290.db2.gz CIIAXGQOGSZGOF-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO CCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000043513408 638461404 /nfs/dbraw/zinc/46/14/04/638461404.db2.gz FDDCLCLXZQOCMT-LLVKDONJSA-N 1 0 218.300 2.477 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CC1CCC1 ZINC000907913766 638511026 /nfs/dbraw/zinc/51/10/26/638511026.db2.gz SBLYTHKJZWFPMR-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)C1(C)C ZINC000129225768 639067731 /nfs/dbraw/zinc/06/77/31/639067731.db2.gz UXHKNLNZTXBJQL-WDEREUQCSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000908930237 639104357 /nfs/dbraw/zinc/10/43/57/639104357.db2.gz ULGNOAGGDQEFEP-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CCOc1cccc([C@@H](C)[NH2+]C[C@H](O)CC#N)c1 ZINC000930213488 639636871 /nfs/dbraw/zinc/63/68/71/639636871.db2.gz TXQXYEKWMFLMPG-DGCLKSJQSA-N 1 0 248.326 2.010 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)[C@@H](C)O)c1ccccc1 ZINC000930227314 639643825 /nfs/dbraw/zinc/64/38/25/639643825.db2.gz FLXFQJKREYVKHR-VHDGCEQUSA-N 1 0 249.354 2.025 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)[C@@H](C)CC ZINC000930243211 639654401 /nfs/dbraw/zinc/65/44/01/639654401.db2.gz BSBJLBVSEXZCLM-WDEREUQCSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)CN(C)[C@H](C)c1snnc1C ZINC000930245333 639655431 /nfs/dbraw/zinc/65/54/31/639655431.db2.gz SERPVLVXXWSNMZ-SECBINFHSA-N 1 0 211.334 2.415 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C/C=C\C(=O)OCC ZINC000930262961 639670877 /nfs/dbraw/zinc/67/08/77/639670877.db2.gz IWVHUQHCJHEHRV-UPZNUWHASA-N 1 0 223.316 2.146 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000911683593 639726591 /nfs/dbraw/zinc/72/65/91/639726591.db2.gz HXZQOLCTBNNLRO-XQQFMLRXSA-N 1 0 238.375 2.317 20 30 BEEDRO C[C@H]1C[C@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)CC#N ZINC000930492577 639782146 /nfs/dbraw/zinc/78/21/46/639782146.db2.gz IUSMZLPVBQOPNG-YNEHKIRRSA-N 1 0 238.375 2.408 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911755049 639783633 /nfs/dbraw/zinc/78/36/33/639783633.db2.gz YIMZBHVUMSSBNB-NWDGAFQWSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000911767401 639793106 /nfs/dbraw/zinc/79/31/06/639793106.db2.gz LEARGMXEUMJRDR-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@H+](CCCc1cccnc1)CC(C)(C)C#N ZINC000930568304 639811911 /nfs/dbraw/zinc/81/19/11/639811911.db2.gz NUAVVIGWFYUBSV-UHFFFAOYSA-N 1 0 231.343 2.496 20 30 BEEDRO N#CC1CCC(C[N@H+](C2CC2)C2COC2)CC1 ZINC000930598389 639816414 /nfs/dbraw/zinc/81/64/14/639816414.db2.gz QJSLMCHDKHORJK-UHFFFAOYSA-N 1 0 234.343 2.180 20 30 BEEDRO CC[C@@H](CO)[N@H+](C)Cc1c(C)cc(C#N)cc1C ZINC000930599047 639817016 /nfs/dbraw/zinc/81/70/16/639817016.db2.gz VKPOWDCVZXIILU-AWEZNQCLSA-N 1 0 246.354 2.378 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC(CC)(CC)C[NH3+] ZINC000911799825 639821488 /nfs/dbraw/zinc/82/14/88/639821488.db2.gz KFPBUTHDBIDZEF-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(OC)c1C ZINC000930639180 639836768 /nfs/dbraw/zinc/83/67/68/639836768.db2.gz MBTYHUCWKYGSKK-KGLIPLIRSA-N 1 0 247.338 2.437 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)cc(C)n1 ZINC000930639635 639837820 /nfs/dbraw/zinc/83/78/20/639837820.db2.gz OFZJVEAWOPHMQE-KGLIPLIRSA-N 1 0 232.327 2.132 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000911830851 639842097 /nfs/dbraw/zinc/84/20/97/639842097.db2.gz HZZKLWWEKRUPHG-YPMHNXCESA-N 1 0 226.364 2.078 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000911864640 639852060 /nfs/dbraw/zinc/85/20/60/639852060.db2.gz LGUDNCWVQOJUME-HIFPTAJRSA-N 1 0 238.375 2.317 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)[C@@H]1CCC[C@@H](C)C1 ZINC000930667225 639854496 /nfs/dbraw/zinc/85/44/96/639854496.db2.gz OOCOAQQAFSPIFG-YVECIDJPSA-N 1 0 224.348 2.065 20 30 BEEDRO COC[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000930676219 639858568 /nfs/dbraw/zinc/85/85/68/639858568.db2.gz MDRBJRAMMWJFFN-KBPBESRZSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1 ZINC000911900115 639861782 /nfs/dbraw/zinc/86/17/82/639861782.db2.gz PKXVTHFBCRNHHV-CQSZACIVSA-N 1 0 246.354 2.329 20 30 BEEDRO N#Cc1cncc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000930706203 639874041 /nfs/dbraw/zinc/87/40/41/639874041.db2.gz WNVUOJDBWOJMHA-RDBSUJKOSA-N 1 0 227.311 2.231 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000911916778 639876514 /nfs/dbraw/zinc/87/65/14/639876514.db2.gz GAEJWFRJOKMNRA-FRRDWIJNSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCNC(=O)[C@@H]([NH3+])CCCCCCCC ZINC000911926246 639882638 /nfs/dbraw/zinc/88/26/38/639882638.db2.gz RVPBKLPCCKPXKQ-LBPRGKRZSA-N 1 0 226.364 2.367 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C ZINC000911962747 639907229 /nfs/dbraw/zinc/90/72/29/639907229.db2.gz WGFGKGHSZLMAPD-AVGNSLFASA-N 1 0 238.375 2.365 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C)nnc2C)C1 ZINC000930817223 639919525 /nfs/dbraw/zinc/91/95/25/639919525.db2.gz SXNSNPLNWFVHEA-CQSZACIVSA-N 1 0 243.354 2.329 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1ccsc1 ZINC000912002781 639920211 /nfs/dbraw/zinc/92/02/11/639920211.db2.gz AGRGOULPCWIHAJ-UHFFFAOYSA-N 1 0 238.356 2.219 20 30 BEEDRO C#CC1CC[NH+](CCc2ccns2)CC1 ZINC000930821165 639922412 /nfs/dbraw/zinc/92/24/12/639922412.db2.gz CFHLVPXFWXJWDE-UHFFFAOYSA-N 1 0 220.341 2.031 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000930867336 639958724 /nfs/dbraw/zinc/95/87/24/639958724.db2.gz IDKYPAOVZHFLPR-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccccc1F ZINC000930886029 639974219 /nfs/dbraw/zinc/97/42/19/639974219.db2.gz YKESYXWLXXKAGC-ZWNOBZJWSA-N 1 0 236.290 2.141 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C)c1 ZINC000912282401 640014681 /nfs/dbraw/zinc/01/46/81/640014681.db2.gz DJLCFBATVDYRHO-CQSZACIVSA-N 1 0 246.354 2.295 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000912281871 640015670 /nfs/dbraw/zinc/01/56/70/640015670.db2.gz RZGDFZGGJOYALR-AAEUAGOBSA-N 1 0 247.342 2.203 20 30 BEEDRO C[C@@]12COC[C@H]1C[N@H+](CC1CCC(C#N)CC1)C2 ZINC000931014791 640019598 /nfs/dbraw/zinc/01/95/98/640019598.db2.gz IEIQGTYEGPVKII-NEXFUWMNSA-N 1 0 248.370 2.285 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCC2(COC2)O1)C(C)(C)C ZINC000931016460 640020136 /nfs/dbraw/zinc/02/01/36/640020136.db2.gz DCQWVKLGXANRRO-GFCCVEGCSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCC1([NH2+]CCc2nnc(C)o2)CCCC1 ZINC000931020585 640024822 /nfs/dbraw/zinc/02/48/22/640024822.db2.gz DMUARIJAPCGFGH-UHFFFAOYSA-N 1 0 235.331 2.399 20 30 BEEDRO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931040288 640035816 /nfs/dbraw/zinc/03/58/16/640035816.db2.gz YIDDITKIUJHGNF-XSCHDIRWSA-N 1 0 249.402 2.341 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1C[C@H]1C(=O)OCC ZINC000931063920 640054426 /nfs/dbraw/zinc/05/44/26/640054426.db2.gz WXJQMAWASFTRHG-IGQOVBAYSA-N 1 0 249.354 2.369 20 30 BEEDRO C#CCC[N@@H+](CCCC(C)(F)F)CCOC ZINC000931070422 640057077 /nfs/dbraw/zinc/05/70/77/640057077.db2.gz DQIOUJLYUIRUBH-UHFFFAOYSA-N 1 0 233.302 2.394 20 30 BEEDRO C[N@H+](CC1=CCSC1)Cc1cncc(C#N)c1 ZINC000931071941 640059709 /nfs/dbraw/zinc/05/97/09/640059709.db2.gz QJDZMSJURWNUEM-UHFFFAOYSA-N 1 0 245.351 2.058 20 30 BEEDRO C[N@@H+](Cc1cncc(C#N)c1)C[C@H]1CC1(C)C ZINC000931080873 640061991 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ZINC000932971613 640654816 /nfs/dbraw/zinc/65/48/16/640654816.db2.gz NOMRZXRSNXBGSO-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000933082922 640667060 /nfs/dbraw/zinc/66/70/60/640667060.db2.gz PCKRNDFJWOHVJC-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933210344 640680674 /nfs/dbraw/zinc/68/06/74/640680674.db2.gz QKRHRDPRCCPARV-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)C[N@H+]1CCN(C)C[C@H]1CC(C)C ZINC000933245471 640689165 /nfs/dbraw/zinc/68/91/65/640689165.db2.gz WZZSYKJWRKXVDK-CYBMUJFWSA-N 1 0 210.365 2.225 20 30 BEEDRO C#CCC1([NH2+]CCOC2CC2)CCCCC1 ZINC000933263431 640692099 /nfs/dbraw/zinc/69/20/99/640692099.db2.gz JPJQHPQPZKUJMO-UHFFFAOYSA-N 1 0 221.344 2.481 20 30 BEEDRO C#CCC1([NH2+]C[C@H](O)C2CC2)CCCCC1 ZINC000933266802 640693950 /nfs/dbraw/zinc/69/39/50/640693950.db2.gz YVYKGEWZTDEYLZ-ZDUSSCGKSA-N 1 0 221.344 2.073 20 30 BEEDRO C#CCC1([NH2+]CCC(OC)OC)CCCCC1 ZINC000933266793 640694172 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210.280 2.346 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1ccccc1F ZINC000229682200 640969879 /nfs/dbraw/zinc/96/98/79/640969879.db2.gz YEJOZSBSLJAHQX-AWEZNQCLSA-N 1 0 235.302 2.252 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229694164 640971795 /nfs/dbraw/zinc/97/17/95/640971795.db2.gz NBSGZOVALLVUOA-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000229835867 640986127 /nfs/dbraw/zinc/98/61/27/640986127.db2.gz WDZLZFLQUFYINO-CYBMUJFWSA-N 1 0 239.265 2.001 20 30 BEEDRO N#CCCCCNC(=[NH2+])Nc1ccccc1 ZINC000171503878 640986907 /nfs/dbraw/zinc/98/69/07/640986907.db2.gz SIILCLWQCCPABR-UHFFFAOYSA-N 1 0 216.288 2.317 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000229882477 640990556 /nfs/dbraw/zinc/99/05/56/640990556.db2.gz FQDLJHHNIWLEPB-LBPRGKRZSA-N 1 0 203.285 2.202 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000230007594 641004593 /nfs/dbraw/zinc/00/45/93/641004593.db2.gz DSPDUXGHESTZTH-LLVKDONJSA-N 1 0 249.285 2.114 20 30 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BEEDRO N#CCC1(C[NH2+][C@H]2CCOC23CCCC3)CC1 ZINC000934382013 641136721 /nfs/dbraw/zinc/13/67/21/641136721.db2.gz PQZODYGDJJWXED-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCOC12CCCC2 ZINC000934396601 641141151 /nfs/dbraw/zinc/14/11/51/641141151.db2.gz PQKIMZIZXSWHIJ-OLZOCXBDSA-N 1 0 247.342 2.121 20 30 BEEDRO C=CCN1C[C@H](CC[NH3+])c2ccccc21 ZINC000063128442 641141457 /nfs/dbraw/zinc/14/14/57/641141457.db2.gz JKBBFVGOOBZKRJ-NSHDSACASA-N 1 0 202.301 2.125 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934434901 641142537 /nfs/dbraw/zinc/14/25/37/641142537.db2.gz QDIJWYWEYWKUBF-HUUCEWRRSA-N 1 0 231.339 2.098 20 30 BEEDRO Cc1cccc([C@@H](C)CNC(=[NH2+])NC2CC2)c1 ZINC000304390701 641150143 /nfs/dbraw/zinc/15/01/43/641150143.db2.gz UIEIDYXLVYOOFG-NSHDSACASA-N 1 0 231.343 2.165 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC000971092631 641151566 /nfs/dbraw/zinc/15/15/66/641151566.db2.gz RLOMRGFOZGTBGK-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC000971092630 641152660 /nfs/dbraw/zinc/15/26/60/641152660.db2.gz RLOMRGFOZGTBGK-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC000971101340 641156747 /nfs/dbraw/zinc/15/67/47/641156747.db2.gz KDNHSKRSTMNVKJ-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@@H](CCCC)C(=O)OC ZINC000934468817 641160416 /nfs/dbraw/zinc/16/04/16/641160416.db2.gz KFIUCLMUSFYTSP-RYUDHWBXSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC[C@H]1CCN1Cc1nc(-c2ccco2)no1 ZINC000934471876 641163577 /nfs/dbraw/zinc/16/35/77/641163577.db2.gz ORJKYFAMKXXNHS-JTQLQIEISA-N 1 0 245.282 2.480 20 30 BEEDRO C=CC[C@H]1CCN1CC(=O)N(C)c1ccccc1 ZINC000934471110 641165567 /nfs/dbraw/zinc/16/55/67/641165567.db2.gz IDYCXIAUDZRDAD-AWEZNQCLSA-N 1 0 244.338 2.300 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CC(=O)NCC ZINC000059338655 641167817 /nfs/dbraw/zinc/16/78/17/641167817.db2.gz AACVIPQCKIFFBE-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@H](CCC)CC1=O ZINC000173351944 641172949 /nfs/dbraw/zinc/17/29/49/641172949.db2.gz KEOOGRVJGLTFPK-CYBMUJFWSA-N 1 0 238.375 2.491 20 30 BEEDRO COCC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000061591098 641183380 /nfs/dbraw/zinc/18/33/80/641183380.db2.gz WQAKMOPXDUAQRA-UHFFFAOYSA-N 1 0 248.326 2.105 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CC1CCC(=O)CC1 ZINC000934516151 641183323 /nfs/dbraw/zinc/18/33/23/641183323.db2.gz CPUSOKXVKIPRIW-CYBMUJFWSA-N 1 0 219.328 2.233 20 30 BEEDRO C#C[C@H]1CCCC[N@@H+]1CCc1cccnc1 ZINC000934515636 641183913 /nfs/dbraw/zinc/18/39/13/641183913.db2.gz WSPOFUZLHUWAKY-AWEZNQCLSA-N 1 0 214.312 2.112 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000934519090 641185814 /nfs/dbraw/zinc/18/58/14/641185814.db2.gz PQFUIYSTDXGRHG-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1cncc(C)c1 ZINC000934517134 641186389 /nfs/dbraw/zinc/18/63/89/641186389.db2.gz SZNJULBRUGPEML-CQSZACIVSA-N 1 0 214.312 2.378 20 30 BEEDRO 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BEEDRO C=C(C)C[N@@H+]1CCOC[C@H]1CC1CCOCC1 ZINC000934634175 641226245 /nfs/dbraw/zinc/22/62/45/641226245.db2.gz DIWGGBFHTHJUAX-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cnnn1CC ZINC000934645709 641226726 /nfs/dbraw/zinc/22/67/26/641226726.db2.gz YZWGEZCMUHIDAC-UHFFFAOYSA-N 1 0 222.336 2.086 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H]1CCN(C(C)C)C1=O ZINC000934645104 641228983 /nfs/dbraw/zinc/22/89/83/641228983.db2.gz CAFPAWAZCDLQSM-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cncn1C ZINC000934645087 641229286 /nfs/dbraw/zinc/22/92/86/641229286.db2.gz BBTDZUYGUYPGLP-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CCCC[N@@H+](CC)C/C(C)=C\C(=O)OC ZINC000934647940 641232505 /nfs/dbraw/zinc/23/25/05/641232505.db2.gz SUIXFWVALVEAOR-BENRWUELSA-N 1 0 225.332 2.394 20 30 BEEDRO C=CCCC[N@@H+](CC)C/C=C\C(=O)OCC ZINC000934648216 641234689 /nfs/dbraw/zinc/23/46/89/641234689.db2.gz XDDNSMWQHDJDFO-KTKRTIGZSA-N 1 0 225.332 2.394 20 30 BEEDRO C=CCCC[N@@H+](CC)CC(=O)N(CC)CC ZINC000934651743 641234943 /nfs/dbraw/zinc/23/49/43/641234943.db2.gz TYLDPKTUZKTPAY-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCCC[N@@H+](CC)CC(=O)c1cccn1C ZINC000934648953 641235165 /nfs/dbraw/zinc/23/51/65/641235165.db2.gz YEOXLVPMTVYECN-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO C=CCCC[N@@H+](CC)CC(=O)N1CCCCC1 ZINC000934649345 641235594 /nfs/dbraw/zinc/23/55/94/641235594.db2.gz SIPCKOBVXFEQKM-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C[C@]12CSC[C@H]1C[N@H+](Cc1ccc(C#N)o1)C2 ZINC000934769761 641265550 /nfs/dbraw/zinc/26/55/50/641265550.db2.gz STMSSAMVUXWVBD-MFKMUULPSA-N 1 0 248.351 2.336 20 30 BEEDRO C#CCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000232471399 641278201 /nfs/dbraw/zinc/27/82/01/641278201.db2.gz SJLSRZHISYCUTD-UHFFFAOYSA-N 1 0 228.339 2.268 20 30 BEEDRO C=C(C)c1cccc(NC(=O)NCC[NH+](C)C)c1 ZINC000934881251 641294916 /nfs/dbraw/zinc/29/49/16/641294916.db2.gz YPGAVLXVSMOFFJ-UHFFFAOYSA-N 1 0 247.342 2.403 20 30 BEEDRO CC(C)C1(O)C[NH+](CCCCC(C)(C)C#N)C1 ZINC000232554370 641297856 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CCCCCCC[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000185537572 643330666 /nfs/dbraw/zinc/33/06/66/643330666.db2.gz PSOXXDMXJUKISU-KBPBESRZSA-N 1 0 243.391 2.476 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932639924 643386924 /nfs/dbraw/zinc/38/69/24/643386924.db2.gz SVVZIIRWNNDYCH-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)C1CCOCC1 ZINC000090397555 643410310 /nfs/dbraw/zinc/41/03/10/643410310.db2.gz JFFKVTLYWONQEF-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)C)CC1(C)C ZINC000996541108 643468776 /nfs/dbraw/zinc/46/87/76/643468776.db2.gz ZYKIQSXHFUJKHE-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)C)CC1(C)C ZINC000996541107 643470160 /nfs/dbraw/zinc/47/01/60/643470160.db2.gz ZYKIQSXHFUJKHE-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCCCCNc1cc[nH+]cc1C(N)=O ZINC000804851104 643499365 /nfs/dbraw/zinc/49/93/65/643499365.db2.gz IXABMDQAKTVNMF-UHFFFAOYSA-N 1 0 247.342 2.151 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000996871578 643526998 /nfs/dbraw/zinc/52/69/98/643526998.db2.gz DGGFGCDULISDEZ-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CCc2ccccc21 ZINC000079997208 643532696 /nfs/dbraw/zinc/53/26/96/643532696.db2.gz UOLUPBDKXZXUBM-OAHLLOKOSA-N 1 0 209.292 2.242 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=C)Br ZINC000307673267 643566410 /nfs/dbraw/zinc/56/64/10/643566410.db2.gz AZHASJXJWVRLSM-VIFPVBQESA-N 1 0 216.122 2.287 20 30 BEEDRO C=C(C)C[N@H+](CC)CC[S@@](=O)C(F)(F)F ZINC000929217056 643582090 /nfs/dbraw/zinc/58/20/90/643582090.db2.gz IVJDKWCDAGYVGT-OAHLLOKOSA-N 1 0 243.294 2.153 20 30 BEEDRO N#Cc1cc(C[NH2+]CC2CCOCC2)cs1 ZINC000921633362 643635027 /nfs/dbraw/zinc/63/50/27/643635027.db2.gz QVGIXHPVEKUFGY-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO C#CCSCCNc1cc[nH+]c(CC)c1 ZINC000307766954 643644611 /nfs/dbraw/zinc/64/46/11/643644611.db2.gz GANHCFFCRDHVBX-UHFFFAOYSA-N 1 0 220.341 2.422 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)CC(C)C)C1 ZINC000970978826 643646524 /nfs/dbraw/zinc/64/65/24/643646524.db2.gz LLCOYMZQHWFQID-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](N(CC)C(C)=O)CC1 ZINC000997892665 643667854 /nfs/dbraw/zinc/66/78/54/643667854.db2.gz QFKIKPCREKXPJG-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC000998444350 643706945 /nfs/dbraw/zinc/70/69/45/643706945.db2.gz WZZSMZOZKSAHTO-HSBZDZAISA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000998493492 643710690 /nfs/dbraw/zinc/71/06/90/643710690.db2.gz DXJKHHPQBYWPDQ-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)/C=C(\C)C2CC2)C1 ZINC000998639414 643716489 /nfs/dbraw/zinc/71/64/89/643716489.db2.gz WOGDVAKVUZCPKZ-IEZBTEQYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000998791729 643723455 /nfs/dbraw/zinc/72/34/55/643723455.db2.gz MDLPIIOVISARNT-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C(F)=C(C)C)C1 ZINC000998908220 643726799 /nfs/dbraw/zinc/72/67/99/643726799.db2.gz KUNWPEBGUXJWGR-NSHDSACASA-N 1 0 240.322 2.016 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000999915525 643744035 /nfs/dbraw/zinc/74/40/35/643744035.db2.gz RKNAXSWJERTEBU-UKRRQHHQSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@H+]1CC=C(CNC(=O)C2CCC2)CC1 ZINC001000360611 643779801 /nfs/dbraw/zinc/77/98/01/643779801.db2.gz ZKQXBFMSVYGISH-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1csc(C#N)c1 ZINC000921770394 643780602 /nfs/dbraw/zinc/78/06/02/643780602.db2.gz RBGFVBKPCAXKLM-VHSXEESVSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H]1C[C@@H](NCc2csc(C#N)c2)CC[N@@H+]1C ZINC000921778872 643782352 /nfs/dbraw/zinc/78/23/52/643782352.db2.gz AUSBFDSJFGMAAE-PWSUYJOCSA-N 1 0 249.383 2.192 20 30 BEEDRO COC[C@H]([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921781580 643783619 /nfs/dbraw/zinc/78/36/19/643783619.db2.gz JPWTXNQQBLYHCX-LBPRGKRZSA-N 1 0 238.356 2.380 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC000921791290 643788823 /nfs/dbraw/zinc/78/88/23/643788823.db2.gz SOSWMNDUUVIAPC-UHFFFAOYSA-N 1 0 224.329 2.134 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1csc(C#N)c1 ZINC000921792213 643789014 /nfs/dbraw/zinc/78/90/14/643789014.db2.gz UBPRHTNFUKLANW-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO C#CCCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921794282 643792168 /nfs/dbraw/zinc/79/21/68/643792168.db2.gz SHYPLUTYLGAVPI-UHFFFAOYSA-N 1 0 237.734 2.444 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1(C)CCCC1 ZINC000320713231 643794693 /nfs/dbraw/zinc/79/46/93/643794693.db2.gz HIBCGYIUTANKGE-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCOC1 ZINC000921930440 643828223 /nfs/dbraw/zinc/82/82/23/643828223.db2.gz MSNBFXQHOWTVSU-ZDUSSCGKSA-N 1 0 230.311 2.054 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CCO1 ZINC000921959350 643833387 /nfs/dbraw/zinc/83/33/87/643833387.db2.gz WHEACIYLNXLMFS-KOLCDFICSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)CCO1 ZINC000921959352 643833432 /nfs/dbraw/zinc/83/34/32/643833432.db2.gz WHEACIYLNXLMFS-ONGXEEELSA-N 1 0 236.340 2.277 20 30 BEEDRO CC[C@H](CO)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921969152 643834097 /nfs/dbraw/zinc/83/40/97/643834097.db2.gz UZRLNQMNHOLPCQ-CYBMUJFWSA-N 1 0 232.327 2.036 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921967314 643834833 /nfs/dbraw/zinc/83/48/33/643834833.db2.gz QQLXPOAZHYKQKX-YNEHKIRRSA-N 1 0 243.416 2.435 20 30 BEEDRO CC(C)OCC[NH2+]Cc1csc(C#N)c1 ZINC000921992890 643840609 /nfs/dbraw/zinc/84/06/09/643840609.db2.gz BFHLVJNQCWFENM-UHFFFAOYSA-N 1 0 224.329 2.134 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000922012849 643845198 /nfs/dbraw/zinc/84/51/98/643845198.db2.gz VXHGYBDVZVYUPS-SMDDNHRTSA-N 1 0 242.322 2.403 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC(C)(C)O ZINC000922014642 643846429 /nfs/dbraw/zinc/84/64/29/643846429.db2.gz SZZDXVACNNVHSG-UHFFFAOYSA-N 1 0 246.354 2.426 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCC=CO2)cs1 ZINC000922034697 643849121 /nfs/dbraw/zinc/84/91/21/643849121.db2.gz NLKGLKAIODUOSM-NSHDSACASA-N 1 0 234.324 2.402 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCCO ZINC000922068533 643857369 /nfs/dbraw/zinc/85/73/69/643857369.db2.gz OSMBGZMLGOGAHF-UHFFFAOYSA-N 1 0 232.327 2.037 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922063309 643857700 /nfs/dbraw/zinc/85/77/00/643857700.db2.gz DQBQKHXEPFVWJR-CABZTGNLSA-N 1 0 236.340 2.134 20 30 BEEDRO N#CCC1(C[NH2+]Cc2csc(C#N)c2)CC1 ZINC000922086162 643860351 /nfs/dbraw/zinc/86/03/51/643860351.db2.gz ZSHWYPJCSRHKTI-UHFFFAOYSA-N 1 0 231.324 2.403 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922113408 643864315 /nfs/dbraw/zinc/86/43/15/643864315.db2.gz ITNUYFGGMPTDLO-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO C=C(C)C[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000922112109 643864430 /nfs/dbraw/zinc/86/44/30/643864430.db2.gz CJMISYHRIIGKPP-UHFFFAOYSA-N 1 0 248.355 2.209 20 30 BEEDRO CC(C)(CO)CC[NH2+]Cc1csc(C#N)c1 ZINC000922153840 643875472 /nfs/dbraw/zinc/87/54/72/643875472.db2.gz PXSCVDFXEPOBHQ-UHFFFAOYSA-N 1 0 238.356 2.118 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922181307 643895525 /nfs/dbraw/zinc/89/55/25/643895525.db2.gz PRMFQEZJPUTXII-NEPJUHHUSA-N 1 0 236.340 2.277 20 30 BEEDRO COCC[C@@H](C)C[NH2+]Cc1csc(C#N)c1 ZINC000922184298 643896602 /nfs/dbraw/zinc/89/66/02/643896602.db2.gz QSCDYODDNDBUII-SNVBAGLBSA-N 1 0 238.356 2.382 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922239584 643911752 /nfs/dbraw/zinc/91/17/52/643911752.db2.gz UMWCGFGVEDFIFK-UHFFFAOYSA-N 1 0 238.356 2.186 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cs1 ZINC000922248024 643921834 /nfs/dbraw/zinc/92/18/34/643921834.db2.gz GXWRPCPCBHHFAB-RYUDHWBXSA-N 1 0 248.351 2.013 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)cs1 ZINC000922248023 643922099 /nfs/dbraw/zinc/92/20/99/643922099.db2.gz GXWRPCPCBHHFAB-NWDGAFQWSA-N 1 0 248.351 2.013 20 30 BEEDRO N#Cc1cc(C[NH2+]CCc2ccns2)cs1 ZINC000922331614 643972408 /nfs/dbraw/zinc/97/24/08/643972408.db2.gz CMQKVPXKDOSFLQ-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc2c1OCC2 ZINC000922334479 643975051 /nfs/dbraw/zinc/97/50/51/643975051.db2.gz BFYBIHDQBMBBBH-CQSZACIVSA-N 1 0 247.338 2.038 20 30 BEEDRO CCC[C@H](O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000922825536 644102491 /nfs/dbraw/zinc/10/24/91/644102491.db2.gz PMCNCTFVTQMYLG-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CCCCCCCCC(=O)NCC[NH+](C)C ZINC000192559901 644164705 /nfs/dbraw/zinc/16/47/05/644164705.db2.gz DFXAWKVLKLNSFG-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(NCCC)cc1 ZINC000193061595 644211414 /nfs/dbraw/zinc/21/14/14/644211414.db2.gz ZBGYZBKBQBFNIN-UHFFFAOYSA-N 1 0 248.374 2.323 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc[nH]2)CCCCC1 ZINC000922981880 644214257 /nfs/dbraw/zinc/21/42/57/644214257.db2.gz TVQLKDLVFIQQDU-UHFFFAOYSA-N 1 0 217.316 2.226 20 30 BEEDRO C#CCC1([NH2+]Cc2cn3ccccc3n2)CCC1 ZINC000923000129 644218495 /nfs/dbraw/zinc/21/84/95/644218495.db2.gz HBNYNMNKDRCGBQ-UHFFFAOYSA-N 1 0 239.322 2.370 20 30 BEEDRO C#CCC1([NH2+]Cc2cccn2C)CCC1 ZINC000923000619 644218744 /nfs/dbraw/zinc/21/87/44/644218744.db2.gz MYLDEVDXKUQNAK-UHFFFAOYSA-N 1 0 202.301 2.061 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(F)c2N)CCC1 ZINC000922997598 644221722 /nfs/dbraw/zinc/22/17/22/644221722.db2.gz ADDDDKRTTZTIOQ-UHFFFAOYSA-N 1 0 232.302 2.444 20 30 BEEDRO C#CCC1([NH2+]Cc2[nH]nc(C)c2C)CCC1 ZINC000922997902 644221983 /nfs/dbraw/zinc/22/19/83/644221983.db2.gz DRKCLSKHIGJVEE-UHFFFAOYSA-N 1 0 217.316 2.062 20 30 BEEDRO C#CCC1([NH2+]Cc2nc(C#N)cs2)CCC1 ZINC000922997849 644222284 /nfs/dbraw/zinc/22/22/84/644222284.db2.gz NNICRBVCQPTTFA-UHFFFAOYSA-N 1 0 231.324 2.050 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc3nccn32)CCC1 ZINC000922997130 644222446 /nfs/dbraw/zinc/22/24/46/644222446.db2.gz FFVVHHAAICQGGL-UHFFFAOYSA-N 1 0 239.322 2.370 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(N(C)C)nc2)CCC1 ZINC000922997513 644222545 /nfs/dbraw/zinc/22/25/45/644222545.db2.gz JLROYRKYUDCECT-UHFFFAOYSA-N 1 0 243.354 2.183 20 30 BEEDRO C#CCC1([NH2+]Cc2ncc(Cl)n2C)CCC1 ZINC000922998535 644223648 /nfs/dbraw/zinc/22/36/48/644223648.db2.gz WQHQJVAFTCILKT-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(C3CCC3)nn2)CCC1 ZINC000922999617 644223664 /nfs/dbraw/zinc/22/36/64/644223664.db2.gz UUIAWSMUEUBMCU-UHFFFAOYSA-N 1 0 244.342 2.039 20 30 BEEDRO C#CCC1([NH2+]Cc2nc(C)cs2)CCC1 ZINC000922998543 644224020 /nfs/dbraw/zinc/22/40/20/644224020.db2.gz XDOSBOQDIJRYFO-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CCC1([NH2+]Cc2ccccn2)CCC1 ZINC000923001580 644226513 /nfs/dbraw/zinc/22/65/13/644226513.db2.gz USZOPVPHUCMRKQ-UHFFFAOYSA-N 1 0 200.285 2.117 20 30 BEEDRO CCCCCCCCCNC(=O)C[NH+](C)C ZINC000193552310 644252418 /nfs/dbraw/zinc/25/24/18/644252418.db2.gz UQGHLOUUXVZRCW-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO NC(Cc1ccccc1)=NOCc1cccnc1 ZINC000193579839 644257356 /nfs/dbraw/zinc/25/73/56/644257356.db2.gz MMRRQTYXAJZQGP-UHFFFAOYSA-N 1 0 241.294 2.113 20 30 BEEDRO N#CCCN(CC1CC1)C[C@H]1CCC=CO1 ZINC000193880864 644285815 /nfs/dbraw/zinc/28/58/15/644285815.db2.gz RJEMSZAAVIPUCN-CYBMUJFWSA-N 1 0 220.316 2.305 20 30 BEEDRO C[NH+]=C(NCC(C(C)C)C(C)C)NC1CC1 ZINC000194578484 644332841 /nfs/dbraw/zinc/33/28/41/644332841.db2.gz KSCBMMCPRWJJJI-UHFFFAOYSA-N 1 0 225.380 2.242 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCC1CCCC1 ZINC000194686092 644340264 /nfs/dbraw/zinc/34/02/64/644340264.db2.gz KUBIUOXDGSILQL-JTQLQIEISA-N 1 0 211.353 2.270 20 30 BEEDRO Cc1nc(CON=C(N)c2ccccc2)oc1C ZINC000195477804 644392745 /nfs/dbraw/zinc/39/27/45/644392745.db2.gz AISBHWYAKWBDJX-UHFFFAOYSA-N 1 0 245.282 2.129 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]CC2(O)CCCC2)c1 ZINC000087028737 644485272 /nfs/dbraw/zinc/48/52/72/644485272.db2.gz APLBMTWGPFALQW-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000088230928 644514475 /nfs/dbraw/zinc/51/44/75/644514475.db2.gz URTLBNMIFPZAJY-GFCCVEGCSA-N 1 0 226.364 2.154 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC)C[C@@H]1C ZINC000946936629 644527941 /nfs/dbraw/zinc/52/79/41/644527941.db2.gz JXMHKNSBJRUONY-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1cc(F)ccc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089092092 644534271 /nfs/dbraw/zinc/53/42/71/644534271.db2.gz GDCKXKBDLKQVPF-JOYOIKCWSA-N 1 0 233.290 2.237 20 30 BEEDRO CCCCCCCC[N@@H+]1CCCNC(=O)C1 ZINC000740876040 644560607 /nfs/dbraw/zinc/56/06/07/644560607.db2.gz OEQPYTSFPWRGEY-UHFFFAOYSA-N 1 0 226.364 2.169 20 30 BEEDRO C/C=C(\C)C(=O)O[C@H](C)C#CC[NH+](CC)CC ZINC000089984409 644576088 /nfs/dbraw/zinc/57/60/88/644576088.db2.gz VEXDZQMAXVXWEH-XEVNVYFWSA-N 1 0 237.343 2.230 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@@H](C)c1ccccc1 ZINC000746367844 644582891 /nfs/dbraw/zinc/58/28/91/644582891.db2.gz RFSBBCBQVYHOEN-SNVBAGLBSA-N 1 0 214.272 2.306 20 30 BEEDRO C=C(Cl)CN(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246532078 644593036 /nfs/dbraw/zinc/59/30/36/644593036.db2.gz JKVGDZGZUOIHAC-JQWIXIFHSA-N 1 0 230.783 2.401 20 30 BEEDRO Fc1ccc(/C=C\C=[NH+]n2cnnc2)c(F)c1 ZINC000758069876 644634278 /nfs/dbraw/zinc/63/42/78/644634278.db2.gz OBGUQJVHPKIJQM-IAISRDLUSA-N 1 0 234.209 2.104 20 30 BEEDRO C#CCCC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000766978701 644672093 /nfs/dbraw/zinc/67/20/93/644672093.db2.gz SGZXQRIABKXKIH-HIFRSBDPSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000783520073 644756230 /nfs/dbraw/zinc/75/62/30/644756230.db2.gz ZEAYPLIPVWSJDP-LBPRGKRZSA-N 1 0 232.327 2.024 20 30 BEEDRO COCCCON=C1CC[NH+](C(C)(C)C)CC1 ZINC000795055197 644807174 /nfs/dbraw/zinc/80/71/74/644807174.db2.gz GCTUTPGAZVIXJN-UHFFFAOYSA-N 1 0 242.363 2.290 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303260451 644814028 /nfs/dbraw/zinc/81/40/28/644814028.db2.gz NCLUVWCJDHQLHW-PWSUYJOCSA-N 1 0 231.343 2.029 20 30 BEEDRO CCNC(NC[C@@H]1CCC[C@H](C)C1)=[NH+]CC ZINC000303391336 644819631 /nfs/dbraw/zinc/81/96/31/644819631.db2.gz YXOMJZVWSGLRDC-NWDGAFQWSA-N 1 0 225.380 2.388 20 30 BEEDRO C[NH+]=C(NC[C@H](C)c1ccccc1)NC1CC1 ZINC000303397066 644820415 /nfs/dbraw/zinc/82/04/15/644820415.db2.gz IGZNDBOUTXVYSN-NSHDSACASA-N 1 0 231.343 2.118 20 30 BEEDRO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251820299 644824651 /nfs/dbraw/zinc/82/46/51/644824651.db2.gz OXHOCDPHYKYVDL-TVQRCGJNSA-N 1 0 249.745 2.385 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800470101 644834871 /nfs/dbraw/zinc/83/48/71/644834871.db2.gz HXHCGTYAOVIMNR-GFCCVEGCSA-N 1 0 247.404 2.076 20 30 BEEDRO CCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000303697909 644838389 /nfs/dbraw/zinc/83/83/89/644838389.db2.gz FZVMTNJDCQPDMD-UHFFFAOYSA-N 1 0 219.332 2.104 20 30 BEEDRO CC(C)C[NH+]=C(NCc1ccccc1)N(C)C ZINC000303703611 644838600 /nfs/dbraw/zinc/83/86/00/644838600.db2.gz JQKVLEQBVMLGES-UHFFFAOYSA-N 1 0 233.359 2.350 20 30 BEEDRO CCCCCNC(=[NH2+])NCCc1ccccc1 ZINC000303709842 644839908 /nfs/dbraw/zinc/83/99/08/644839908.db2.gz OEBDIMRPYKKEAH-UHFFFAOYSA-N 1 0 233.359 2.324 20 30 BEEDRO C[C@@H](CNC(=[NH2+])NCC1CCC1)c1ccccc1 ZINC000303769101 644844584 /nfs/dbraw/zinc/84/45/84/644844584.db2.gz AUHCEZVFVGUZMA-LBPRGKRZSA-N 1 0 245.370 2.495 20 30 BEEDRO Cc1ccccc1CCNC(=[NH2+])NCCC(C)C ZINC000303784641 644845817 /nfs/dbraw/zinc/84/58/17/644845817.db2.gz PMWCMSLYKWKYFG-UHFFFAOYSA-N 1 0 247.386 2.488 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000801925557 644845746 /nfs/dbraw/zinc/84/57/46/644845746.db2.gz FFUUPCOUIPTESL-JSGCOSHPSA-N 1 0 245.326 2.147 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(CC(C)C)cc1 ZINC000252446997 644851530 /nfs/dbraw/zinc/85/15/30/644851530.db2.gz DSXNLULDJBNENQ-UHFFFAOYSA-N 1 0 232.331 2.092 20 30 BEEDRO Cc1cccc(CCNC(=[NH2+])N2CCCCC2)c1 ZINC000303885211 644853990 /nfs/dbraw/zinc/85/39/90/644853990.db2.gz NBLKRCOELXTPKG-UHFFFAOYSA-N 1 0 245.370 2.338 20 30 BEEDRO COC[C@@H](C)NC(=[NH2+])NCCCCC(C)(C)C ZINC000303975540 644860633 /nfs/dbraw/zinc/86/06/33/644860633.db2.gz JEEDTBSFMLPYLX-LLVKDONJSA-N 1 0 243.395 2.142 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000304212817 644876643 /nfs/dbraw/zinc/87/66/43/644876643.db2.gz FNNYAVUIZPCLNM-YVECIDJPSA-N 1 0 224.348 2.281 20 30 BEEDRO C=C(Cl)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000304215235 644876766 /nfs/dbraw/zinc/87/67/66/644876766.db2.gz XWUYCNHUZDDBDG-QWHCGFSZSA-N 1 0 236.746 2.166 20 30 BEEDRO CC[C@H]1CCC[N@H+](CCO[C@H](C)C#N)CC1 ZINC000304233429 644878117 /nfs/dbraw/zinc/87/81/17/644878117.db2.gz LMIPLWQXYSDOAH-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000304226876 644879361 /nfs/dbraw/zinc/87/93/61/644879361.db2.gz JITFSLQYGGCFDG-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000304241444 644880364 /nfs/dbraw/zinc/88/03/64/644880364.db2.gz NUZFOGIWJQXEHT-XQHKEYJVSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000304239764 644880369 /nfs/dbraw/zinc/88/03/69/644880369.db2.gz NLPADSKEQTXONP-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000304244602 644882753 /nfs/dbraw/zinc/88/27/53/644882753.db2.gz OVNJSNMJMFBGCV-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCCC[C@H]1C ZINC000304251393 644882783 /nfs/dbraw/zinc/88/27/83/644882783.db2.gz RAUOTBACIYDEEK-UPJWGTAASA-N 1 0 224.348 2.426 20 30 BEEDRO C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)CC#N ZINC000809572349 644891336 /nfs/dbraw/zinc/89/13/36/644891336.db2.gz MEAPILYBWZOIAG-GFCCVEGCSA-N 1 0 238.718 2.046 20 30 BEEDRO CC(C)[N@@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000809572084 644892316 /nfs/dbraw/zinc/89/23/16/644892316.db2.gz ITSBUJAHLURQAD-CQSZACIVSA-N 1 0 232.327 2.172 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](C2CC2)N(C)C)cc1 ZINC000809608414 644893919 /nfs/dbraw/zinc/89/39/19/644893919.db2.gz RCQWZOLRNGQNPN-MRXNPFEDSA-N 1 0 242.366 2.098 20 30 BEEDRO CNC(NCCCCC1CCCC1)=[NH+]C ZINC000304364646 644898738 /nfs/dbraw/zinc/89/87/38/644898738.db2.gz YPMMIEFNOHXBBQ-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCCSC ZINC000304694065 644925370 /nfs/dbraw/zinc/92/53/70/644925370.db2.gz DWJXHMVJHHQMAY-UHFFFAOYSA-N 1 0 231.409 2.224 20 30 BEEDRO Cc1ccc([C@H](C)CNC(=[NH2+])NC(C)C)cc1 ZINC000304736955 644926626 /nfs/dbraw/zinc/92/66/26/644926626.db2.gz AIFMWBGQEMVJCW-GFCCVEGCSA-N 1 0 233.359 2.411 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCCCC2CC2)C1 ZINC000304747581 644928562 /nfs/dbraw/zinc/92/85/62/644928562.db2.gz GNHMLBYYZUCBMU-LLVKDONJSA-N 1 0 223.364 2.223 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])N2CCCCC2)cc1 ZINC000304745449 644928833 /nfs/dbraw/zinc/92/88/33/644928833.db2.gz FCZDBKRULKOGHM-UHFFFAOYSA-N 1 0 245.370 2.338 20 30 BEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NCC(F)F ZINC000304742150 644929547 /nfs/dbraw/zinc/92/95/47/644929547.db2.gz ULNZIEGMTVOQIL-SECBINFHSA-N 1 0 235.322 2.371 20 30 BEEDRO CSCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000304761808 644931546 /nfs/dbraw/zinc/93/15/46/644931546.db2.gz UXIYHHNVWIRGSC-UHFFFAOYSA-N 1 0 237.372 2.475 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NCC(C)(C)OC)cc1 ZINC000304765428 644932955 /nfs/dbraw/zinc/93/29/55/644932955.db2.gz ZHRKCKXKJAFTEX-UHFFFAOYSA-N 1 0 249.358 2.401 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(C)CCC2)C1 ZINC000304798945 644933159 /nfs/dbraw/zinc/93/31/59/644933159.db2.gz NWVZUDRLVWPCLN-LLVKDONJSA-N 1 0 223.364 2.223 20 30 BEEDRO C=CCOCC[N@@H+]1CCC2(CCCC2)C1 ZINC000815055318 644949024 /nfs/dbraw/zinc/94/90/24/644949024.db2.gz WFROKMXWWJCXFA-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO COc1cccc(NNC=CC(F)(F)F)[nH+]1 ZINC000817326124 644971329 /nfs/dbraw/zinc/97/13/29/644971329.db2.gz MXWOPFJMBKUSDU-UHFFFAOYSA-N 1 0 233.193 2.440 20 30 BEEDRO C#CCOc1ccc([C@@H](C)NC[C@@H]([NH3+])CC)cc1 ZINC000817980831 644994493 /nfs/dbraw/zinc/99/44/93/644994493.db2.gz XFKZDHRMKIXRAY-OCCSQVGLSA-N 1 0 246.354 2.087 20 30 BEEDRO C#CCOc1ccc([C@H](C)NC[C@H]([NH3+])CC)cc1 ZINC000817980829 644995596 /nfs/dbraw/zinc/99/55/96/644995596.db2.gz XFKZDHRMKIXRAY-GXTWGEPZSA-N 1 0 246.354 2.087 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH+]2CC(CC#N)C2)CCO1 ZINC000826990474 645070661 /nfs/dbraw/zinc/07/06/61/645070661.db2.gz GRHQVEMBDZCQNR-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000827650851 645083454 /nfs/dbraw/zinc/08/34/54/645083454.db2.gz WCZOUUGJRRVMKJ-MJBXVCDLSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(C#C)cc1 ZINC000827827686 645085287 /nfs/dbraw/zinc/08/52/87/645085287.db2.gz XODGZGQPGNSEDA-UHFFFAOYSA-N 1 0 241.334 2.140 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnoc2C)C1 ZINC000829809500 645111491 /nfs/dbraw/zinc/11/14/91/645111491.db2.gz CDRHCAOBYQCQFB-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO CC(C[NH+]1CCCCCC1)N=Nc1ccncn1 ZINC000835002674 645157871 /nfs/dbraw/zinc/15/78/71/645157871.db2.gz WIDVLLWJUZVPBI-UHFFFAOYSA-N 1 0 247.346 2.140 20 30 BEEDRO Cc1ccc(CN=NC2C[N@@H+](C)C[C@H]2C)cc1 ZINC000835009195 645162262 /nfs/dbraw/zinc/16/22/62/645162262.db2.gz STWIRWOXSGPDRP-GFCCVEGCSA-N 1 0 231.343 2.022 20 30 BEEDRO C=CC(C)(C)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000835721439 645169995 /nfs/dbraw/zinc/16/99/95/645169995.db2.gz JZVCMZYSXHZMRD-LLVKDONJSA-N 1 0 227.348 2.328 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000841864751 645234082 /nfs/dbraw/zinc/23/40/82/645234082.db2.gz RTULJFBYBFJBIG-VXGBXAGGSA-N 1 0 243.395 2.382 20 30 BEEDRO CCCCCCCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841864908 645234467 /nfs/dbraw/zinc/23/44/67/645234467.db2.gz UTJGOOPDPHHNEG-GFCCVEGCSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCCNC(=O)NCC[C@@H](C)[NH3+] ZINC000841865995 645234891 /nfs/dbraw/zinc/23/48/91/645234891.db2.gz ZJVJPSRDZHLNNG-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000841864909 645235174 /nfs/dbraw/zinc/23/51/74/645235174.db2.gz UTJGOOPDPHHNEG-LBPRGKRZSA-N 1 0 241.379 2.008 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccnnc1 ZINC000926518748 645249854 /nfs/dbraw/zinc/24/98/54/645249854.db2.gz AMUAKSMVMVAWKM-JTQLQIEISA-N 1 0 205.305 2.339 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926528311 645254508 /nfs/dbraw/zinc/25/45/08/645254508.db2.gz XGURYWHGKOULON-RFQIPJPRSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000926528310 645255067 /nfs/dbraw/zinc/25/50/67/645255067.db2.gz XGURYWHGKOULON-MQYQWHSLSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1(Cl)CC1 ZINC000926528598 645256586 /nfs/dbraw/zinc/25/65/86/645256586.db2.gz ZAXRIKBQKGEXJA-AEJSXWLSSA-N 1 0 215.724 2.079 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C1(Cl)CC1 ZINC000926532570 645256517 /nfs/dbraw/zinc/25/65/17/645256517.db2.gz UEATXJDHUHHSLT-AXFHLTTASA-N 1 0 229.751 2.470 20 30 BEEDRO CCC[C@@H]([NH2+]CCC#N)[C@H](O)c1ccccc1 ZINC000843090294 645263575 /nfs/dbraw/zinc/26/35/75/645263575.db2.gz WHTLWKATFSDZNF-ZIAGYGMSSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000926537242 645264627 /nfs/dbraw/zinc/26/46/27/645264627.db2.gz HGODFPBJHPJYSL-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccns1 ZINC000926546918 645267661 /nfs/dbraw/zinc/26/76/61/645267661.db2.gz ZHQSVGURQASEJS-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926551222 645274369 /nfs/dbraw/zinc/27/43/69/645274369.db2.gz QHZCRFAEMGVORQ-SNVBAGLBSA-N 1 0 206.289 2.404 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)C(C)(C)CO)c1 ZINC000926550565 645274733 /nfs/dbraw/zinc/27/47/33/645274733.db2.gz NZAKIXBSPMTMEQ-LBPRGKRZSA-N 1 0 231.339 2.165 20 30 BEEDRO C#CC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000843426681 645291596 /nfs/dbraw/zinc/29/15/96/645291596.db2.gz GIIVXHMCJHHUJC-GFCCVEGCSA-N 1 0 209.358 2.085 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926610297 645312533 /nfs/dbraw/zinc/31/25/33/645312533.db2.gz CCGGDWQPSOZKPQ-WXHSDQCUSA-N 1 0 248.326 2.029 20 30 BEEDRO C=CCn1cc(C[NH2+]C2CC3(C2)CCCC3)nn1 ZINC000926614969 645316856 /nfs/dbraw/zinc/31/68/56/645316856.db2.gz NXWIAWYCICQEGR-UHFFFAOYSA-N 1 0 246.358 2.277 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CCC1 ZINC000926623746 645320547 /nfs/dbraw/zinc/32/05/47/645320547.db2.gz FWTFGNORYTVRKZ-BFHYXJOUSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CC2)C2CCOCC2)CCC1 ZINC000926628104 645322993 /nfs/dbraw/zinc/32/29/93/645322993.db2.gz SIOCFXWTHIWFPX-AWEZNQCLSA-N 1 0 248.370 2.475 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CO)[C@@H](C)CCC ZINC000844380685 645324272 /nfs/dbraw/zinc/32/42/72/645324272.db2.gz WDFKOUADJCMQES-WPRPVWTQSA-N 1 0 205.729 2.126 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000844426593 645329030 /nfs/dbraw/zinc/32/90/30/645329030.db2.gz WCQOPUIYMSLPTP-GFCCVEGCSA-N 1 0 237.343 2.206 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441844 645331778 /nfs/dbraw/zinc/33/17/78/645331778.db2.gz USSQPMPGCDPZBZ-MNOVXSKESA-N 1 0 231.286 2.045 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844444678 645334606 /nfs/dbraw/zinc/33/46/06/645334606.db2.gz SJHGPJHHRPWRCF-LLVKDONJSA-N 1 0 231.286 2.310 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]1C ZINC000926680837 645353308 /nfs/dbraw/zinc/35/33/08/645353308.db2.gz SJIMAKPHWLSCHH-XUJVJEKNSA-N 1 0 244.338 2.114 20 30 BEEDRO C=CCOCCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926704588 645370348 /nfs/dbraw/zinc/37/03/48/645370348.db2.gz NBFPLKYJFORDQX-IYXRBSQSSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000846047503 645393652 /nfs/dbraw/zinc/39/36/52/645393652.db2.gz ZJYSBSBADICGEN-UPJWGTAASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926745220 645400453 /nfs/dbraw/zinc/40/04/53/645400453.db2.gz FXOGTGLUCCLOKD-QWRGUYRKSA-N 1 0 234.347 2.476 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cncc(C)c2)C1 ZINC000847017269 645415449 /nfs/dbraw/zinc/41/54/49/645415449.db2.gz AUEHQAJHWASFIQ-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000847017855 645415596 /nfs/dbraw/zinc/41/55/96/645415596.db2.gz FGZXAVGFUCPHGO-IYXRBSQSSA-N 1 0 221.344 2.288 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCC2(OC)CCC2)C1 ZINC000847020127 645416299 /nfs/dbraw/zinc/41/62/99/645416299.db2.gz WBOHKKLPHJQUJH-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926781814 645428133 /nfs/dbraw/zinc/42/81/33/645428133.db2.gz UHNREASRNZVAFT-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccnn1C ZINC000926812469 645441269 /nfs/dbraw/zinc/44/12/69/645441269.db2.gz LTZMEKQCQZKSIY-QWRGUYRKSA-N 1 0 234.347 2.399 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccncc2C)C1 ZINC000848924609 645443013 /nfs/dbraw/zinc/44/30/13/645443013.db2.gz WULGWHPKXDCYGX-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926823553 645444178 /nfs/dbraw/zinc/44/41/78/645444178.db2.gz SSBUFCBPUQGAOR-NSHDSACASA-N 1 0 236.363 2.458 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926820355 645444355 /nfs/dbraw/zinc/44/43/55/645444355.db2.gz FBIIRFORFCKTIE-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000849330437 645449203 /nfs/dbraw/zinc/44/92/03/645449203.db2.gz QHISWDNBJSZDBM-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccns1 ZINC000926862122 645461531 /nfs/dbraw/zinc/46/15/31/645461531.db2.gz DZJIFAJLEHFCNR-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2CC3(C2)CCCC3)C1 ZINC000926865743 645462751 /nfs/dbraw/zinc/46/27/51/645462751.db2.gz HKDDLKJBFBASJM-AWEZNQCLSA-N 1 0 246.398 2.396 20 30 BEEDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)C#N ZINC000926874644 645467806 /nfs/dbraw/zinc/46/78/06/645467806.db2.gz SCYURZKAJSCAFV-YPMHNXCESA-N 1 0 226.364 2.455 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926873176 645469967 /nfs/dbraw/zinc/46/99/67/645469967.db2.gz CXSMHMOHGDDPMZ-CYBMUJFWSA-N 1 0 236.359 2.331 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1cccc(C#N)c1 ZINC000852099794 645470867 /nfs/dbraw/zinc/47/08/67/645470867.db2.gz QFEVBKGMZUGZJU-OAHLLOKOSA-N 1 0 242.322 2.329 20 30 BEEDRO C#C[C@H]1CCCN(Cc2nc(C)oc2C)C1 ZINC000852216118 645472037 /nfs/dbraw/zinc/47/20/37/645472037.db2.gz UNTJUTRAWUZJAL-LBPRGKRZSA-N 1 0 218.300 2.137 20 30 BEEDRO C=C1CCC(C[NH2+][C@H](C)c2cnn(C)n2)CC1 ZINC000926926644 645489579 /nfs/dbraw/zinc/48/95/79/645489579.db2.gz XRCIOBDMKRQUQH-LLVKDONJSA-N 1 0 234.347 2.212 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926938058 645491278 /nfs/dbraw/zinc/49/12/78/645491278.db2.gz VJWZRLRFZPPNFX-RQJABVFESA-N 1 0 248.370 2.495 20 30 BEEDRO C#C[C@@](C)(CC)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000854700514 645509667 /nfs/dbraw/zinc/50/96/67/645509667.db2.gz UJWLIKTYJOTDPE-FZMZJTMJSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000927005836 645510538 /nfs/dbraw/zinc/51/05/38/645510538.db2.gz QKMFTHGRKUTAGI-NWDGAFQWSA-N 1 0 239.359 2.330 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000927005841 645510544 /nfs/dbraw/zinc/51/05/44/645510544.db2.gz QKMFTHGRKUTAGI-VXGBXAGGSA-N 1 0 239.359 2.330 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCOC1CCOCC1 ZINC000927080071 645540623 /nfs/dbraw/zinc/54/06/23/645540623.db2.gz ZHOYCMZVGNGQIU-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO Cn1nc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1C1CC1 ZINC000927107909 645553750 /nfs/dbraw/zinc/55/37/50/645553750.db2.gz NFDSZBVWVPETAW-PWSUYJOCSA-N 1 0 244.342 2.079 20 30 BEEDRO CCc1onc(C)c1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000927135756 645564232 /nfs/dbraw/zinc/56/42/32/645564232.db2.gz UFJJFDSJMOXTKL-QWRGUYRKSA-N 1 0 233.315 2.327 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927163453 645580861 /nfs/dbraw/zinc/58/08/61/645580861.db2.gz JLWVIUZXFNUNHW-LBPRGKRZSA-N 1 0 244.342 2.309 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927162856 645581200 /nfs/dbraw/zinc/58/12/00/645581200.db2.gz BDFRQCHSVAUERU-YPMHNXCESA-N 1 0 244.342 2.143 20 30 BEEDRO CCCCCCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000858113530 645670314 /nfs/dbraw/zinc/67/03/14/645670314.db2.gz LBCWOOVPPLCHMC-LBPRGKRZSA-N 1 0 243.395 2.206 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000862447481 645695966 /nfs/dbraw/zinc/69/59/66/645695966.db2.gz NGUHRMXGVVDNAU-NEPJUHHUSA-N 1 0 209.358 2.085 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000862447093 645696764 /nfs/dbraw/zinc/69/67/64/645696764.db2.gz IRCMVOIAPBAXFS-LBPRGKRZSA-N 1 0 241.338 2.199 20 30 BEEDRO C[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000863553273 645704195 /nfs/dbraw/zinc/70/41/95/645704195.db2.gz YKDVNXWNLLDRNR-VXGBXAGGSA-N 1 0 238.375 2.313 20 30 BEEDRO C#CCSCC[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000877048996 645788137 /nfs/dbraw/zinc/78/81/37/645788137.db2.gz RCELKWPZDUFUAX-RYUDHWBXSA-N 1 0 229.389 2.004 20 30 BEEDRO C#CCSCC[NH2+]Cc1c(C)cccc1OC ZINC000877049011 645788622 /nfs/dbraw/zinc/78/86/22/645788622.db2.gz RUAXABGNKUBUAB-UHFFFAOYSA-N 1 0 249.379 2.460 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)[C@H](C)CC)C1CC1 ZINC000877372242 645794327 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/nfs/dbraw/zinc/80/14/25/645801425.db2.gz ARLSTHIZKSTNCQ-JSGCOSHPSA-N 1 0 223.360 2.393 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CCOCC1 ZINC000877637289 645803951 /nfs/dbraw/zinc/80/39/51/645803951.db2.gz GWWFWHKAMVMWQZ-FAAHXZRKSA-N 1 0 233.355 2.051 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)C1CCOCC1 ZINC000877637288 645804440 /nfs/dbraw/zinc/80/44/40/645804440.db2.gz GWWFWHKAMVMWQZ-ATGSNQNLSA-N 1 0 233.355 2.051 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000877650646 645806938 /nfs/dbraw/zinc/80/69/38/645806938.db2.gz SMHXGQSBZJHZCL-NSHDSACASA-N 1 0 232.302 2.253 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC000877650850 645807083 /nfs/dbraw/zinc/80/70/83/645807083.db2.gz OMJHBBVLLVFJPT-KBPBESRZSA-N 1 0 223.360 2.393 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000878490843 645814926 /nfs/dbraw/zinc/81/49/26/645814926.db2.gz COWQONZYRFIWNH-WCQYABFASA-N 1 0 249.358 2.120 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878762231 645823620 /nfs/dbraw/zinc/82/36/20/645823620.db2.gz YWXYLSDXQQCXIE-UONOGXRCSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000883123947 645848358 /nfs/dbraw/zinc/84/83/58/645848358.db2.gz QCCOXJJGCPNNPZ-ZBFHGGJFSA-N 1 0 245.366 2.229 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(SCC)c1 ZINC000883124267 645848635 /nfs/dbraw/zinc/84/86/35/645848635.db2.gz BYGBCRVUYXJCGR-CYBMUJFWSA-N 1 0 249.379 2.272 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccn1CCC(C)C ZINC000883124036 645849068 /nfs/dbraw/zinc/84/90/68/645849068.db2.gz TUJNZCJKFBRIEW-AWEZNQCLSA-N 1 0 248.370 2.008 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C(C)C)nc1 ZINC000928619395 645849178 /nfs/dbraw/zinc/84/91/78/645849178.db2.gz ZZROMWLRJUNUFY-UHFFFAOYSA-N 1 0 247.342 2.261 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)/C=C/Cl ZINC000928929726 645897467 /nfs/dbraw/zinc/89/74/67/645897467.db2.gz UPIAPMDWVKRLIF-BQYQJAHWSA-N 1 0 244.766 2.142 20 30 BEEDRO C[N@@H+](Cc1ncc[nH]1)CC1CCC(C#N)CC1 ZINC000928997334 645926636 /nfs/dbraw/zinc/92/66/36/645926636.db2.gz IURZNZHHQVRVQQ-UHFFFAOYSA-N 1 0 232.331 2.171 20 30 BEEDRO C=CC[N@H+](Cc1cncc(C#N)c1)C(C)C ZINC000929293641 646068880 /nfs/dbraw/zinc/06/88/80/646068880.db2.gz ZLEZANHDAZFNSZ-UHFFFAOYSA-N 1 0 215.300 2.350 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)c1ccco1 ZINC000924615768 646079662 /nfs/dbraw/zinc/07/96/62/646079662.db2.gz ZEYOJTAXXIZFRF-GHMZBOCLSA-N 1 0 236.315 2.231 20 30 BEEDRO CC(C)[N@H+](CCO)CC1CCC(C#N)CC1 ZINC000929324833 646079626 /nfs/dbraw/zinc/07/96/26/646079626.db2.gz DWSVKIPHWYRZDG-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000924639250 646083142 /nfs/dbraw/zinc/08/31/42/646083142.db2.gz LDMCSOHLZZKHHP-VXGBXAGGSA-N 1 0 244.338 2.319 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)CO ZINC000924641458 646083960 /nfs/dbraw/zinc/08/39/60/646083960.db2.gz ZAOGHOAGEAECMQ-LLVKDONJSA-N 1 0 232.327 2.055 20 30 BEEDRO N#CC1CCC(C[N@H+](CCO)CC2CC2)CC1 ZINC000929342770 646087040 /nfs/dbraw/zinc/08/70/40/646087040.db2.gz JNPNSMZQSQFVPK-UHFFFAOYSA-N 1 0 236.359 2.021 20 30 BEEDRO C#CC[N@@H+](CCc1nnc(C)o1)C1CCCCC1 ZINC000929362749 646096936 /nfs/dbraw/zinc/09/69/36/646096936.db2.gz VJJSSLHGNAITHP-UHFFFAOYSA-N 1 0 247.342 2.188 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCOCC1 ZINC000929409393 646109801 /nfs/dbraw/zinc/10/98/01/646109801.db2.gz FHUGSBPSROVPGU-UHFFFAOYSA-N 1 0 244.338 2.397 20 30 BEEDRO C=C(C[NH2+][C@@H]1CCC1(OC)OC)c1ccccc1 ZINC000924843525 646116955 /nfs/dbraw/zinc/11/69/55/646116955.db2.gz ZFNVOFHATTXTCP-CQSZACIVSA-N 1 0 247.338 2.441 20 30 BEEDRO C=C(C[NH2+][C@H]1CCC1(OC)OC)c1ccccc1 ZINC000924843524 646117674 /nfs/dbraw/zinc/11/76/74/646117674.db2.gz ZFNVOFHATTXTCP-AWEZNQCLSA-N 1 0 247.338 2.441 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)C1(Cl)CC1 ZINC000924943744 646137504 /nfs/dbraw/zinc/13/75/04/646137504.db2.gz XBOSRPAVYDYGMT-SECBINFHSA-N 1 0 200.713 2.430 20 30 BEEDRO CCc1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)[nH]n1 ZINC000925063510 646172224 /nfs/dbraw/zinc/17/22/24/646172224.db2.gz SKIUYGNSPKIJPZ-JTQLQIEISA-N 1 0 234.347 2.390 20 30 BEEDRO CCCC[N@H+](CCOC)Cc1cncc(C#N)c1 ZINC000929615793 646200343 /nfs/dbraw/zinc/20/03/43/646200343.db2.gz YZODMYSLJIRCNL-UHFFFAOYSA-N 1 0 247.342 2.202 20 30 BEEDRO C[N@@H+](Cc1cc[nH]n1)CC1CCC(C#N)CC1 ZINC000929624640 646209147 /nfs/dbraw/zinc/20/91/47/646209147.db2.gz MBRCJZMKNYUBIH-UHFFFAOYSA-N 1 0 232.331 2.171 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925255475 646220891 /nfs/dbraw/zinc/22/08/91/646220891.db2.gz FAWHFCVOWRZEGK-ZBOXLXRLSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cnnn1-c1ccccc1 ZINC000925258621 646223032 /nfs/dbraw/zinc/22/30/32/646223032.db2.gz XHKJHACCYQJEKQ-VXGBXAGGSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)C1(Br)CC1 ZINC000925265006 646225518 /nfs/dbraw/zinc/22/55/18/646225518.db2.gz YAOYRPZFGYGJMP-JGVFFNPUSA-N 1 0 218.138 2.467 20 30 BEEDRO C#CCSCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925452933 646286230 /nfs/dbraw/zinc/28/62/30/646286230.db2.gz DYRXWWVENYFVRM-XQQFMLRXSA-N 1 0 221.369 2.297 20 30 BEEDRO N#CC1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000929758657 646292028 /nfs/dbraw/zinc/29/20/28/646292028.db2.gz CUSKBIVVNQKCBB-LLZFXZEUSA-N 1 0 234.343 2.180 20 30 BEEDRO CCC1CCC([N@H+](C)C[C@H](O)CC#N)CC1 ZINC000929781568 646307483 /nfs/dbraw/zinc/30/74/83/646307483.db2.gz XOYJSCLFEHSYCH-WXRRBKDZSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[N@@H+](CC)CC1CCC(C#N)CC1 ZINC000929789718 646316713 /nfs/dbraw/zinc/31/67/13/646316713.db2.gz YAQDEGQQASSAGT-UHFFFAOYSA-N 1 0 204.317 2.271 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](C)C(=O)c1ccc(O)cc1 ZINC000929789714 646318309 /nfs/dbraw/zinc/31/83/09/646318309.db2.gz XZENKXJNOHJVHV-LBPRGKRZSA-N 1 0 245.322 2.166 20 30 BEEDRO C=C(Cl)CN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925568040 646333911 /nfs/dbraw/zinc/33/39/11/646333911.db2.gz HZIQKGJGEJZBSN-CMPLNLGQSA-N 1 0 224.735 2.417 20 30 BEEDRO CC(C)CC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929834300 646349107 /nfs/dbraw/zinc/34/91/07/646349107.db2.gz JMRAQEKNPUCNBR-CYBMUJFWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCOCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925630738 646376062 /nfs/dbraw/zinc/37/60/62/646376062.db2.gz BXMRYPDZDBZADY-HSBZDZAISA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCOCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925630740 646377024 /nfs/dbraw/zinc/37/70/24/646377024.db2.gz BXMRYPDZDBZADY-IYXRBSQSSA-N 1 0 239.359 2.126 20 30 BEEDRO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000929963194 646379974 /nfs/dbraw/zinc/37/99/74/646379974.db2.gz WZHWTXFVZSXTOQ-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO C#CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1 ZINC000925638204 646382848 /nfs/dbraw/zinc/38/28/48/646382848.db2.gz YSGFSPFPFKLQEX-QEJZJMRPSA-N 1 0 229.323 2.376 20 30 BEEDRO C[C@H]1NCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652856 646389741 /nfs/dbraw/zinc/38/97/41/646389741.db2.gz BGIURTOPCFKAEN-BLYZHGLHSA-N 1 0 235.375 2.046 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1[C@@H](C)CC[C@@H]1C ZINC000925697053 646421360 /nfs/dbraw/zinc/42/13/60/646421360.db2.gz MHROVCDRFNPLBB-SRVKXCTJSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000925697057 646421621 /nfs/dbraw/zinc/42/16/21/646421621.db2.gz MHROVCDRFNPLBB-XQHKEYJVSA-N 1 0 211.349 2.195 20 30 BEEDRO CC1(C)[NH2+]CC[C@H]1NCC1(C#N)CCCCC1 ZINC000925703581 646426923 /nfs/dbraw/zinc/42/69/23/646426923.db2.gz AFDSVTSIFPWFBG-GFCCVEGCSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC000925707460 646432690 /nfs/dbraw/zinc/43/26/90/646432690.db2.gz PWJWBHQXONPJGV-MNOVXSKESA-N 1 0 222.336 2.211 20 30 BEEDRO COCC1([N@H+](C)CC2CCC(C#N)CC2)CC1 ZINC000930120561 646443303 /nfs/dbraw/zinc/44/33/03/646443303.db2.gz HBASLDDEFYAWHO-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO CN1CC[N@H+](CC2CCC(C#N)CC2)C(C)(C)C1 ZINC000930147838 646460567 /nfs/dbraw/zinc/46/05/67/646460567.db2.gz YMKOLFOCKVWACX-UHFFFAOYSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H](NCCC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000925742877 646465279 /nfs/dbraw/zinc/46/52/79/646465279.db2.gz YGLYWEUJBCEJRF-JTQLQIEISA-N 1 0 249.333 2.475 20 30 BEEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)[C@@H](C)CN1C ZINC000930161059 646468251 /nfs/dbraw/zinc/46/82/51/646468251.db2.gz FBPGHYUIKGDKSS-HESLUPGFSA-N 1 0 249.402 2.341 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(C)cc1 ZINC000930183672 646482538 /nfs/dbraw/zinc/48/25/38/646482538.db2.gz QKDUVNGQSAYNGD-ZIAGYGMSSA-N 1 0 232.327 2.310 20 30 BEEDRO N#CCCc1ccc(N[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000925822771 646497298 /nfs/dbraw/zinc/49/72/98/646497298.db2.gz OJXYYXBAJQTFEE-KBPBESRZSA-N 1 0 229.327 2.434 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926113744 646576050 /nfs/dbraw/zinc/57/60/50/646576050.db2.gz AGNATQVPAVYTLP-JTQLQIEISA-N 1 0 239.290 2.385 20 30 BEEDRO CC1(C)CC2(CC([NH2+]CCCC#N)C2)CO1 ZINC000926134426 646582289 /nfs/dbraw/zinc/58/22/89/646582289.db2.gz ZLEDYUWECMDJKP-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926134386 646582305 /nfs/dbraw/zinc/58/23/05/646582305.db2.gz YPODGRNTUQDGKN-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926199022 646591772 /nfs/dbraw/zinc/59/17/72/646591772.db2.gz NTULCXAZJXLQSK-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cn(C)cn1 ZINC000926356586 646625078 /nfs/dbraw/zinc/62/50/78/646625078.db2.gz NBZVYPKYLHDPIT-PNESKVBLSA-N 1 0 246.358 2.401 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)C(C)(C)CO ZINC000926355454 646625415 /nfs/dbraw/zinc/62/54/15/646625415.db2.gz HXTURPUXWWDHQT-PNESKVBLSA-N 1 0 238.375 2.313 20 30 BEEDRO C=C1CCC(C[NH2+][C@H](C)c2cn(C)nn2)CC1 ZINC000724590528 711595674 /nfs/dbraw/zinc/59/56/74/711595674.db2.gz WXKDKRVSFKZSSW-LLVKDONJSA-N 1 0 234.347 2.212 20 30 BEEDRO CC(C)C[N@H+](CCOCCC#N)C(C)C ZINC000395327896 711693921 /nfs/dbraw/zinc/69/39/21/711693921.db2.gz DPYYOJNAMUMJQF-UHFFFAOYSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1nc(C)c(C)s1 ZINC000320651808 711785921 /nfs/dbraw/zinc/78/59/21/711785921.db2.gz PDNUOIKZBXNFIR-NSHDSACASA-N 1 0 240.372 2.177 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(C)=O ZINC001049266448 711932929 /nfs/dbraw/zinc/93/29/29/711932929.db2.gz WGBQCZFWCPLVOV-UONOGXRCSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCC(C)(O)CC1 ZINC000702957404 712062008 /nfs/dbraw/zinc/06/20/08/712062008.db2.gz BQQRLLBFOIVZSJ-UHFFFAOYSA-N 1 0 203.713 2.022 20 30 BEEDRO CCCCCCCNC(=O)CCC[NH2+]C ZINC000703753123 712084918 /nfs/dbraw/zinc/08/49/18/712084918.db2.gz LYOWTLXZJRFQGQ-UHFFFAOYSA-N 1 0 214.353 2.073 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001035010760 712106019 /nfs/dbraw/zinc/10/60/19/712106019.db2.gz KGFITJHYJFUYLX-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](CCCC)C(=O)OC)C1 ZINC000709555236 712224528 /nfs/dbraw/zinc/22/45/28/712224528.db2.gz VTTUKUKUEKMITI-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C[NH+](C)C1(C)CCN(CC2(CC#N)CC2)CC1 ZINC000709892213 712231093 /nfs/dbraw/zinc/23/10/93/712231093.db2.gz ITJFZBQZPXIQOD-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CCC1(C[NH2+][C@H](C)CC(C)(C)C#N)COC1 ZINC000710001539 712239681 /nfs/dbraw/zinc/23/96/81/712239681.db2.gz ONPZAIFMVXJJKZ-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCOCCC#N ZINC000378857186 712363553 /nfs/dbraw/zinc/36/35/53/712363553.db2.gz LIIOMQUUKPMSEY-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C#CCCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000378870841 712365414 /nfs/dbraw/zinc/36/54/14/712365414.db2.gz NFHOLHHMWKVNBC-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000379387444 712380250 /nfs/dbraw/zinc/38/02/50/712380250.db2.gz HJDIGZNTDUTBGK-NXEZZACHSA-N 1 0 203.713 2.144 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCSC(C)(C)C ZINC000379411819 712383247 /nfs/dbraw/zinc/38/32/47/712383247.db2.gz IXZSCCPYTRHPQO-SECBINFHSA-N 1 0 200.351 2.410 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000379484865 712385474 /nfs/dbraw/zinc/38/54/74/712385474.db2.gz HTOPVHXSJSDXAP-QJPTWQEYSA-N 1 0 209.358 2.131 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000714441822 712489102 /nfs/dbraw/zinc/48/91/02/712489102.db2.gz DDJDIQQMXQEURT-AOOOYVTPSA-N 1 0 236.340 2.134 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cn(CCC)nn1 ZINC000714514052 712493430 /nfs/dbraw/zinc/49/34/30/712493430.db2.gz LQSYLOPLAFMLEE-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CC[C@H](C)[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000714999376 712503614 /nfs/dbraw/zinc/50/36/14/712503614.db2.gz AGSJIVJKORGWIN-GUBZILKMSA-N 1 0 236.281 2.020 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037184850 712552900 /nfs/dbraw/zinc/55/29/00/712552900.db2.gz LXMKUFNIJOIZSU-LLVKDONJSA-N 1 0 202.301 2.036 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(C#N)cs1 ZINC000716796691 712574200 /nfs/dbraw/zinc/57/42/00/712574200.db2.gz GGFREBNGEIBSHF-GXSJLCMTSA-N 1 0 238.356 2.259 20 30 BEEDRO CCC[C@H](CCO)[NH2+]CC#Cc1ccccc1 ZINC000716853804 712578709 /nfs/dbraw/zinc/57/87/09/712578709.db2.gz QVHOVJQFWPQECX-OAHLLOKOSA-N 1 0 231.339 2.179 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000716857965 712579061 /nfs/dbraw/zinc/57/90/61/712579061.db2.gz VSOFVRRDUKSOTD-LLVKDONJSA-N 1 0 239.265 2.093 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)CC1CCCC1 ZINC000379878255 712620103 /nfs/dbraw/zinc/62/01/03/712620103.db2.gz UOCPESFAHMPNHD-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[N@H+](CCO[C@@H](C)C#N)CC1CC1 ZINC000379925059 712628184 /nfs/dbraw/zinc/62/81/84/712628184.db2.gz TWYUXKSLDJXRHD-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H](C)CC)CC1 ZINC000717493639 712659915 /nfs/dbraw/zinc/65/99/15/712659915.db2.gz GLDWMWNIPCLDTC-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000717520187 712660288 /nfs/dbraw/zinc/66/02/88/712660288.db2.gz CGNNTWRRQBMKTK-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CC[NH2+]CC1CC1 ZINC000717674668 712663944 /nfs/dbraw/zinc/66/39/44/712663944.db2.gz HLDOHGSFUDYWKE-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](CCC)[C@@H]1CC1(C)C ZINC000717727196 712667710 /nfs/dbraw/zinc/66/77/10/712667710.db2.gz HMKGUWAHVCEFOG-FRRDWIJNSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[N@H+](C)CCOc1cc(C)ccc1C ZINC000192232524 712726728 /nfs/dbraw/zinc/72/67/28/712726728.db2.gz IUDHEUKVQKFXMD-UHFFFAOYSA-N 1 0 217.312 2.247 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719867359 712824876 /nfs/dbraw/zinc/82/48/76/712824876.db2.gz RORYOGKBVCNBDP-LLVKDONJSA-N 1 0 235.356 2.311 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000381279882 710615516 /nfs/dbraw/zinc/61/55/16/710615516.db2.gz XVWKGMPRXGCDMJ-QWHCGFSZSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000384124579 710619142 /nfs/dbraw/zinc/61/91/42/710619142.db2.gz ASNNSOGOCBPERS-ZIAGYGMSSA-N 1 0 222.376 2.252 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(C(C)C)C1)[C@@H]1CCCO1 ZINC000381454470 710638531 /nfs/dbraw/zinc/63/85/31/710638531.db2.gz HWWGCVHBDYMDSV-HOAMVYINSA-N 1 0 221.344 2.191 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccsc2)C1 ZINC000381569028 710655694 /nfs/dbraw/zinc/65/56/94/710655694.db2.gz WCURCQVMHNPTLD-ADEWGFFLSA-N 1 0 236.340 2.063 20 30 BEEDRO Cc1ncc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000381611162 710661040 /nfs/dbraw/zinc/66/10/40/710661040.db2.gz UMISFMAMZLKFSV-MNOVXSKESA-N 1 0 235.356 2.276 20 30 BEEDRO Cc1ncc(CC[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000381611163 710661334 /nfs/dbraw/zinc/66/13/34/710661334.db2.gz UMISFMAMZLKFSV-QWRGUYRKSA-N 1 0 235.356 2.276 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC001018761766 710669370 /nfs/dbraw/zinc/66/93/70/710669370.db2.gz AXHJRMXNLHUOJW-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)OC(C)(C)C ZINC000384161284 710672920 /nfs/dbraw/zinc/67/29/20/710672920.db2.gz JYYYYHQDZIMBHD-ZDUSSCGKSA-N 1 0 225.332 2.110 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)CCOC)cc1 ZINC000381784774 710713397 /nfs/dbraw/zinc/71/33/97/710713397.db2.gz YNSAGAJSTZEAGR-LBPRGKRZSA-N 1 0 217.312 2.183 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001039314606 710724744 /nfs/dbraw/zinc/72/47/44/710724744.db2.gz FGVKVZYXRMUWCI-KGLIPLIRSA-N 1 0 236.359 2.038 20 30 BEEDRO N#CCCCC[NH2+][C@H](CCO)c1cccs1 ZINC000381830401 710725309 /nfs/dbraw/zinc/72/53/09/710725309.db2.gz NMLCRVSUBFBPDL-LLVKDONJSA-N 1 0 238.356 2.455 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000381874525 710756801 /nfs/dbraw/zinc/75/68/01/710756801.db2.gz ZREUCUAEQLXRKS-HZSPNIEDSA-N 1 0 223.360 2.482 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000384175118 710759938 /nfs/dbraw/zinc/75/99/38/710759938.db2.gz NZMSKXNAFPCVMY-CYBMUJFWSA-N 1 0 232.283 2.486 20 30 BEEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)C2=CCCC2)C1 ZINC001042610334 710794575 /nfs/dbraw/zinc/79/45/75/710794575.db2.gz QBFLCMUMTBVENY-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000393874453 710816512 /nfs/dbraw/zinc/81/65/12/710816512.db2.gz FKEUHKFQAJDKJK-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)[C@@H](C)C1 ZINC001044530505 710828063 /nfs/dbraw/zinc/82/80/63/710828063.db2.gz LCDHCVUXXFURFD-BLJGWETHSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)[C@H](C)C1 ZINC001044530507 710828144 /nfs/dbraw/zinc/82/81/44/710828144.db2.gz LCDHCVUXXFURFD-RLLAQXBXSA-N 1 0 236.359 2.108 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@H](C)CCC ZINC000384208064 710831975 /nfs/dbraw/zinc/83/19/75/710831975.db2.gz NZCOQJUOBZEDNT-MBNYWOFBSA-N 1 0 238.375 2.071 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045185905 710836358 /nfs/dbraw/zinc/83/63/58/710836358.db2.gz OTXBDMFILYJHKN-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccco2)C1 ZINC001046099713 710847297 /nfs/dbraw/zinc/84/72/97/710847297.db2.gz QXQPUFWHWZJJNS-AWEZNQCLSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccco2)C1 ZINC001046099714 710848146 /nfs/dbraw/zinc/84/81/46/710848146.db2.gz QXQPUFWHWZJJNS-CQSZACIVSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC=CCC2)C1 ZINC001046134630 710850293 /nfs/dbraw/zinc/85/02/93/710850293.db2.gz DQUYKYNBFMQMKZ-DZGCQCFKSA-N 1 0 248.370 2.109 20 30 BEEDRO COc1cccc([C@@H](C)[NH2+]CC2(C#N)CC2)c1O ZINC000903106965 710892676 /nfs/dbraw/zinc/89/26/76/710892676.db2.gz ZISLFCRVGWZDIL-SNVBAGLBSA-N 1 0 246.310 2.355 20 30 BEEDRO CCO[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000903109452 710892702 /nfs/dbraw/zinc/89/27/02/710892702.db2.gz PIUXGKPPCXOCEB-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CCC1 ZINC001049272489 710899338 /nfs/dbraw/zinc/89/93/38/710899338.db2.gz NTKSVONLJYCKDH-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(C)=C2CCC2)C[C@@H]1C ZINC001054642578 710940362 /nfs/dbraw/zinc/94/03/62/710940362.db2.gz HHRIFLSFVQYXLO-FZMZJTMJSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH+]1CCC2(CN(C(=O)/C(C)=C/C)C2)CC1 ZINC001050480614 710953062 /nfs/dbraw/zinc/95/30/62/710953062.db2.gz TWWMYNAHGCSUSR-WLRTZDKTSA-N 1 0 248.370 2.063 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]CC#Cc1ccccc1 ZINC000384860766 710998753 /nfs/dbraw/zinc/99/87/53/710998753.db2.gz MUUHDZZNVKORIC-CYBMUJFWSA-N 1 0 231.339 2.177 20 30 BEEDRO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000384128872 710989030 /nfs/dbraw/zinc/98/90/30/710989030.db2.gz JBQJRHDQDBYTRY-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H]1[C@H](N(C)C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000384128869 710989295 /nfs/dbraw/zinc/98/92/95/710989295.db2.gz JBQJRHDQDBYTRY-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC1(OC)CCC1 ZINC000384144696 710990199 /nfs/dbraw/zinc/99/01/99/710990199.db2.gz FERIJPSIPZQDQX-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cnccc1C ZINC000384146423 710990278 /nfs/dbraw/zinc/99/02/78/710990278.db2.gz FSJJKXLSXIHNFC-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000384139324 710990792 /nfs/dbraw/zinc/99/07/92/710990792.db2.gz CXAIFSUYWOHBRQ-HNNXBMFYSA-N 1 0 242.322 2.480 20 30 BEEDRO C#CCSCC[NH2+]CCC(C)(C)SC ZINC000385190715 711006807 /nfs/dbraw/zinc/00/68/07/711006807.db2.gz FICVVGGFQQVXGL-UHFFFAOYSA-N 1 0 231.430 2.474 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000385432602 711013175 /nfs/dbraw/zinc/01/31/75/711013175.db2.gz NUXGGPKKJTVIRC-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCc2ccccc2CC1 ZINC000385452350 711013406 /nfs/dbraw/zinc/01/34/06/711013406.db2.gz MYLLKTQXTNPKHJ-ZDUSSCGKSA-N 1 0 244.338 2.016 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000386691542 711035018 /nfs/dbraw/zinc/03/50/18/711035018.db2.gz KLPAOPGKBNMKQJ-UHFFFAOYSA-N 1 0 227.739 2.438 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000389855792 711091804 /nfs/dbraw/zinc/09/18/04/711091804.db2.gz AWBQMYAHRWFSME-GXSJLCMTSA-N 1 0 207.321 2.344 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](CC)CCC)[C@@H]1CCCO1 ZINC000389895678 711096599 /nfs/dbraw/zinc/09/65/99/711096599.db2.gz YRPXBRYQGYTVBH-AVGNSLFASA-N 1 0 209.333 2.336 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)c1cnccn1)C(C)(C)C ZINC000390493611 711121395 /nfs/dbraw/zinc/12/13/95/711121395.db2.gz REOCFULBTDKUFU-ZYHUDNBSSA-N 1 0 217.316 2.175 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000390601416 711127711 /nfs/dbraw/zinc/12/77/11/711127711.db2.gz BISYYTUPYZACQC-JOYOIKCWSA-N 1 0 238.718 2.265 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(Cl)cc1 ZINC000390601413 711127991 /nfs/dbraw/zinc/12/79/91/711127991.db2.gz BISYYTUPYZACQC-BXKDBHETSA-N 1 0 238.718 2.265 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000390631876 711129204 /nfs/dbraw/zinc/12/92/04/711129204.db2.gz LFQYWGVNCSIDDO-XQHKEYJVSA-N 1 0 224.348 2.329 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000390759747 711133759 /nfs/dbraw/zinc/13/37/59/711133759.db2.gz LLBBYEBDCJWMIT-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)C1CCCCC1 ZINC000392881905 711154167 /nfs/dbraw/zinc/15/41/67/711154167.db2.gz SHEHIUWEASQDJQ-AWEZNQCLSA-N 1 0 236.403 2.500 20 30 BEEDRO C#C[C@H]([NH2+]C1CCCCCC1)[C@H]1CCCO1 ZINC000393759332 711172390 /nfs/dbraw/zinc/17/23/90/711172390.db2.gz ZDSMRABQZQANPN-UONOGXRCSA-N 1 0 221.344 2.480 20 30 BEEDRO C=CCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000393750439 711172756 /nfs/dbraw/zinc/17/27/56/711172756.db2.gz QTVHAGZQCHQTOH-SECBINFHSA-N 1 0 207.277 2.003 20 30 BEEDRO C#CCCC[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000393941778 711179263 /nfs/dbraw/zinc/17/92/63/711179263.db2.gz JSVODSDTOJSTEI-ZDUSSCGKSA-N 1 0 223.360 2.177 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccsc1C)[C@@H]1CCCO1 ZINC000393938439 711179420 /nfs/dbraw/zinc/17/94/20/711179420.db2.gz SZQVSUNKUPECQJ-OLZOCXBDSA-N 1 0 235.352 2.327 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001071279616 711183396 /nfs/dbraw/zinc/18/33/96/711183396.db2.gz VWJZCPAAUXJEMV-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001072011955 711214789 /nfs/dbraw/zinc/21/47/89/711214789.db2.gz GJEGDARGCJNVOP-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCN[C@H]1C ZINC000396651095 711359847 /nfs/dbraw/zinc/35/98/47/711359847.db2.gz DNUQLPBVPJHFFT-NWDGAFQWSA-N 1 0 210.365 2.319 20 30 BEEDRO CCCCCCCCC(=O)NCC1C[NH2+]C1 ZINC000397606622 711387471 /nfs/dbraw/zinc/38/74/71/711387471.db2.gz BAPFBRUVIHRTIJ-UHFFFAOYSA-N 1 0 226.364 2.073 20 30 BEEDRO C#CC[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000397988297 711399277 /nfs/dbraw/zinc/39/92/77/711399277.db2.gz HQKDZNQHBVSJMU-MRXNPFEDSA-N 1 0 244.382 2.366 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]CC#Cc1ccccc1 ZINC000398557069 711412138 /nfs/dbraw/zinc/41/21/38/711412138.db2.gz ZKMQDKDHRZWIOG-AWEZNQCLSA-N 1 0 231.339 2.179 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000381038720 710598244 /nfs/dbraw/zinc/59/82/44/710598244.db2.gz BSZDERZQCVWVSC-MRVPVSSYSA-N 1 0 238.674 2.360 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000384129846 710640891 /nfs/dbraw/zinc/64/08/91/710640891.db2.gz CANNXOLOQAMRIY-AWEZNQCLSA-N 1 0 232.327 2.290 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000381657017 710667557 /nfs/dbraw/zinc/66/75/57/710667557.db2.gz FMLFLEVQQIPNCS-GFCCVEGCSA-N 1 0 241.400 2.290 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccccc1C ZINC000384208967 710834004 /nfs/dbraw/zinc/83/40/04/710834004.db2.gz OEIREDGWTHVHAK-HNNXBMFYSA-N 1 0 244.338 2.325 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045185906 710836433 /nfs/dbraw/zinc/83/64/33/710836433.db2.gz OTXBDMFILYJHKN-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)C2=CCCC2)CC1 ZINC001045408196 710840041 /nfs/dbraw/zinc/84/00/41/710840041.db2.gz UXCLFWHBWYJLSC-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO CCO[C@H]1CCC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000903109453 710892311 /nfs/dbraw/zinc/89/23/11/710892311.db2.gz PIUXGKPPCXOCEB-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C\C ZINC001049409007 710900627 /nfs/dbraw/zinc/90/06/27/710900627.db2.gz YCLKKVNSSHBJFW-SNBRUFEUSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]CCC)C1 ZINC001054966193 710943091 /nfs/dbraw/zinc/94/30/91/710943091.db2.gz JJIKDFRGLZQXBP-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH+]1CCC(CNC(=O)C2=CCCC2)CC1 ZINC001001304322 710950142 /nfs/dbraw/zinc/95/01/42/710950142.db2.gz JMVNQSVPTKZXJK-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)/C(C)=C\C)[C@@H]2C1 ZINC001050012247 710950706 /nfs/dbraw/zinc/95/07/06/710950706.db2.gz BWIYSVVXIOSINI-WWRZCIAWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001071313418 711188268 /nfs/dbraw/zinc/18/82/68/711188268.db2.gz ZIEKLONBUNTURF-VXGBXAGGSA-N 1 0 248.326 2.048 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@H](O)[C@H](CO)C1 ZINC000396838144 711370935 /nfs/dbraw/zinc/37/09/35/711370935.db2.gz GABFZXPWXHSDBC-KBPBESRZSA-N 1 0 243.391 2.022 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000397591790 711387198 /nfs/dbraw/zinc/38/71/98/711387198.db2.gz CFDQLELVWCMOHT-ZDUSSCGKSA-N 1 0 224.348 2.165 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2C=CCC2)[C@H]1C ZINC001074519052 711442717 /nfs/dbraw/zinc/44/27/17/711442717.db2.gz HYTBEXKSGLRRAA-MJBXVCDLSA-N 1 0 248.370 2.108 20 30 BEEDRO N#CCCC[NH2+]C1(CO)CCCCCCC1 ZINC000713447269 711489972 /nfs/dbraw/zinc/48/99/72/711489972.db2.gz PDJJQSWHOVRRGT-UHFFFAOYSA-N 1 0 224.348 2.355 20 30 BEEDRO C#CC[N@@H+](CCCCC(=O)OC)C(C)(C)C ZINC000723038104 711496799 /nfs/dbraw/zinc/49/67/99/711496799.db2.gz UEWNZKHECJTTMW-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723609893 711525037 /nfs/dbraw/zinc/52/50/37/711525037.db2.gz CDFUDCYHBKYSPR-FRRDWIJNSA-N 1 0 234.343 2.085 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723609859 711525186 /nfs/dbraw/zinc/52/51/86/711525186.db2.gz YUAKLLHRUWKGKJ-HZSPNIEDSA-N 1 0 236.359 2.475 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C(C)C ZINC000723642883 711529608 /nfs/dbraw/zinc/52/96/08/711529608.db2.gz BEJPDNKAQBSUCZ-BARDWOONSA-N 1 0 235.371 2.439 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)CS(C)(=O)=O ZINC000723847828 711538983 /nfs/dbraw/zinc/53/89/83/711538983.db2.gz NUIASMKNMUWQEJ-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO CCO[NH+]=C1CCCc2ccc(N)cc21 ZINC000393501459 711543849 /nfs/dbraw/zinc/54/38/49/711543849.db2.gz YQNZHVHHQMVGCE-UHFFFAOYSA-N 1 0 204.273 2.346 20 30 BEEDRO C#CCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723966470 711548371 /nfs/dbraw/zinc/54/83/71/711548371.db2.gz UKCJUUCWQWOMJY-ZIAGYGMSSA-N 1 0 221.344 2.195 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000723978164 711550092 /nfs/dbraw/zinc/55/00/92/711550092.db2.gz OLSUJZCLBGZDCS-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)[C@H]1CCCOC1 ZINC000724005741 711554168 /nfs/dbraw/zinc/55/41/68/711554168.db2.gz GGUAUDXGOQIDLM-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)[C@@H](C)[C@H]1C ZINC000721498733 711564051 /nfs/dbraw/zinc/56/40/51/711564051.db2.gz CGUJRQHUCYKAOB-WOPDTQHZSA-N 1 0 229.327 2.430 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000724163682 711565981 /nfs/dbraw/zinc/56/59/81/711565981.db2.gz PTVMJVIAEDBRNL-GJZGRUSLSA-N 1 0 244.338 2.476 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2ccnc(OC)n2)CC1 ZINC000724455758 711581346 /nfs/dbraw/zinc/58/13/46/711581346.db2.gz ZYYIYKAPTNVDAD-UHFFFAOYSA-N 1 0 247.342 2.321 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000934469437 711587448 /nfs/dbraw/zinc/58/74/48/711587448.db2.gz UJWXPKCYNBTXPZ-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)CN1CCOCC1 ZINC000156818694 711617704 /nfs/dbraw/zinc/61/77/04/711617704.db2.gz VKONCSCTNMVXDH-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCn2ccnc21 ZINC000926504842 711617870 /nfs/dbraw/zinc/61/78/70/711617870.db2.gz WVKCROKHXYNPIF-GHMZBOCLSA-N 1 0 232.331 2.246 20 30 BEEDRO COc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)on1 ZINC000926512304 711619343 /nfs/dbraw/zinc/61/93/43/711619343.db2.gz DYSJTKFYBMUSSA-VWYCJHECSA-N 1 0 249.314 2.416 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721584343 711653045 /nfs/dbraw/zinc/65/30/45/711653045.db2.gz CXJKZIZKUKZVML-SRVKXCTJSA-N 1 0 209.333 2.191 20 30 BEEDRO CC1(C)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721614246 711670754 /nfs/dbraw/zinc/67/07/54/711670754.db2.gz IEURJTTURQONHI-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721384182 711719436 /nfs/dbraw/zinc/71/94/36/711719436.db2.gz BQSXNPXGRPNFGZ-GARJFASQSA-N 1 0 249.276 2.488 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CCC)C1 ZINC001027271811 711723460 /nfs/dbraw/zinc/72/34/60/711723460.db2.gz WMNNMIFALCMJAX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001027719357 711733536 /nfs/dbraw/zinc/73/35/36/711733536.db2.gz HVFLRQJQPHALCT-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000453343675 711763965 /nfs/dbraw/zinc/76/39/65/711763965.db2.gz JHMHWNAZKKFZSC-BNOWGMLFSA-N 1 0 247.342 2.110 20 30 BEEDRO C[N@@H+]1CC[C@@H]2CN(CCCC(C)(C)C#N)CC[C@@H]21 ZINC000879573440 711770060 /nfs/dbraw/zinc/77/00/60/711770060.db2.gz OFJIKASVFFKXRQ-KGLIPLIRSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(Br)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000307169768 711773658 /nfs/dbraw/zinc/77/36/58/711773658.db2.gz ZBHUKECYDAUATB-OCAPTIKFSA-N 1 0 218.138 2.483 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C[C@@H]1C[C@H]1C ZINC000133180567 711775903 /nfs/dbraw/zinc/77/59/03/711775903.db2.gz LENHHTXSXRWLJD-OCCSQVGLSA-N 1 0 229.323 2.444 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1c(C)noc1C ZINC000305088610 711785909 /nfs/dbraw/zinc/78/59/09/711785909.db2.gz OUYILCBUNDKQIY-LBPRGKRZSA-N 1 0 238.331 2.050 20 30 BEEDRO C[C@H]1C(N=Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000872339889 711789522 /nfs/dbraw/zinc/78/95/22/711789522.db2.gz CXPZYCGELHUMDD-JTQLQIEISA-N 1 0 228.299 2.050 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000721863205 711791978 /nfs/dbraw/zinc/79/19/78/711791978.db2.gz UHWJVMLOBUQATJ-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988820283 711797308 /nfs/dbraw/zinc/79/73/08/711797308.db2.gz OPKAAPBYZAMDLO-BXUZGUMPSA-N 1 0 248.370 2.252 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@]1(C)CCCOC1 ZINC000925299258 711797792 /nfs/dbraw/zinc/79/77/92/711797792.db2.gz ATDJOCJRZGTIFG-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(COC)c1 ZINC000160672885 711809504 /nfs/dbraw/zinc/80/95/04/711809504.db2.gz KXIQFOJCYDIBLE-UHFFFAOYSA-N 1 0 217.312 2.336 20 30 BEEDRO CN(C)C(=[NH2+])NCc1cccc2ccccc21 ZINC000170911167 711837874 /nfs/dbraw/zinc/83/78/74/711837874.db2.gz HZIRCOOMZIZVAA-UHFFFAOYSA-N 1 0 227.311 2.216 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)C)C1 ZINC000170910984 711837949 /nfs/dbraw/zinc/83/79/49/711837949.db2.gz ODGDJCVSTSAAAD-JTQLQIEISA-N 1 0 211.353 2.079 20 30 BEEDRO CO[C@H]([C@@H](C)[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000388288780 711861778 /nfs/dbraw/zinc/86/17/78/711861778.db2.gz TZFRIPAAEMWPLZ-CZUORRHYSA-N 1 0 243.350 2.441 20 30 BEEDRO C=C(CC)CON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000773178100 711939032 /nfs/dbraw/zinc/93/90/32/711939032.db2.gz RQICEJLYNSYYND-GFCCVEGCSA-N 1 0 239.363 2.325 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]Cc1csc(C#N)c1 ZINC000921830800 711943735 /nfs/dbraw/zinc/94/37/35/711943735.db2.gz QEFUEFXHMBNGKX-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000921835124 711944418 /nfs/dbraw/zinc/94/44/18/711944418.db2.gz NSLPUYAQDYTBDZ-LLVKDONJSA-N 1 0 232.327 2.053 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000921985833 711951196 /nfs/dbraw/zinc/95/11/96/711951196.db2.gz BYSJPCADOZPJHX-QWHCGFSZSA-N 1 0 246.354 2.424 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccco2)C1 ZINC001032864228 711964877 /nfs/dbraw/zinc/96/48/77/711964877.db2.gz DJLIQOAEGKCPKO-LBPRGKRZSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C2=CCCC2)C1 ZINC001033005652 711970862 /nfs/dbraw/zinc/97/08/62/711970862.db2.gz SIGNZNKLZSLXPP-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO Cc1ccc(CN2CC[N@H+](C)[C@@H](C)C2)cc1C#N ZINC000700719557 712004216 /nfs/dbraw/zinc/00/42/16/712004216.db2.gz ZGGMIRFBQOMMIY-ZDUSSCGKSA-N 1 0 243.354 2.003 20 30 BEEDRO C#C[C@H](NCc1cnc(C)o1)C(C)(C)C ZINC000700835180 712007514 /nfs/dbraw/zinc/00/75/14/712007514.db2.gz WXMVDMDUOPYLHK-NSHDSACASA-N 1 0 206.289 2.121 20 30 BEEDRO CC(C)CC1([NH2+]CCO[C@H](C)C#N)CC1 ZINC000701500237 712024998 /nfs/dbraw/zinc/02/49/98/712024998.db2.gz WEDFFAIWAIJQLH-LLVKDONJSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(O)CCCC2)cc1C#N ZINC000701872665 712030893 /nfs/dbraw/zinc/03/08/93/712030893.db2.gz VFFZIYPBFBYOIY-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000701843903 712031348 /nfs/dbraw/zinc/03/13/48/712031348.db2.gz BBNHUKYDWFOSRU-HNNXBMFYSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1C#N ZINC000701859065 712031390 /nfs/dbraw/zinc/03/13/90/712031390.db2.gz UHMYKWFGENZCHV-FZMZJTMJSA-N 1 0 230.311 2.134 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H](NC(=O)CC)C1 ZINC001034060275 712037191 /nfs/dbraw/zinc/03/71/91/712037191.db2.gz INIBWMSJQULLHD-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@H+]1CCCC[C@@H](NC(=O)C(C)C)C1 ZINC001034109256 712041071 /nfs/dbraw/zinc/04/10/71/712041071.db2.gz STJLAXSFQGUEFO-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](CCC)OC)C(C)(C)C ZINC000702230122 712042902 /nfs/dbraw/zinc/04/29/02/712042902.db2.gz YBMMDEXNVKPAIJ-RYUDHWBXSA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@H]([NH2+]CC1(COC)CCC1)C(C)(C)C ZINC000702272886 712044319 /nfs/dbraw/zinc/04/43/19/712044319.db2.gz NHBJQMAIRIJEFU-LBPRGKRZSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001034162112 712046386 /nfs/dbraw/zinc/04/63/86/712046386.db2.gz WWCGNIHYVZASGB-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)C)CC1 ZINC001034593677 712071529 /nfs/dbraw/zinc/07/15/29/712071529.db2.gz VZGZXWIFPALVLG-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO CCCCCCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000703708757 712083870 /nfs/dbraw/zinc/08/38/70/712083870.db2.gz OCLRWFFWFVMTFY-GFCCVEGCSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCNC(=O)C1([NH3+])CCCC1 ZINC000703751222 712085273 /nfs/dbraw/zinc/08/52/73/712085273.db2.gz AEYZXDIKDLWPGT-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000703763815 712086511 /nfs/dbraw/zinc/08/65/11/712086511.db2.gz WMXZHCLCHLFHSP-VIFPVBQESA-N 1 0 236.306 2.056 20 30 BEEDRO CCCCCCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000703760412 712086817 /nfs/dbraw/zinc/08/68/17/712086817.db2.gz GKVJUNRNELWAAH-CYBMUJFWSA-N 1 0 240.391 2.463 20 30 BEEDRO CCCCCCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000703766024 712087003 /nfs/dbraw/zinc/08/70/03/712087003.db2.gz SSFLNZODEWZUDB-UHFFFAOYSA-N 1 0 249.358 2.241 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001035037128 712109488 /nfs/dbraw/zinc/10/94/88/712109488.db2.gz OTXBDMFILYJHKN-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C[C@H]1C ZINC001035933419 712150590 /nfs/dbraw/zinc/15/05/90/712150590.db2.gz VESNHVBSXNZCAC-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H]2C)ccc1C#N ZINC000706786898 712155380 /nfs/dbraw/zinc/15/53/80/712155380.db2.gz ICUAGJDKXCLBCK-QWRGUYRKSA-N 1 0 230.311 2.407 20 30 BEEDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@@H]2C)ccc1C#N ZINC000706786895 712155548 /nfs/dbraw/zinc/15/55/48/712155548.db2.gz ICUAGJDKXCLBCK-MNOVXSKESA-N 1 0 230.311 2.407 20 30 BEEDRO CCNC(NCC[C@@H]1CC=CCC1)=[NH+]CC ZINC000706806498 712156386 /nfs/dbraw/zinc/15/63/86/712156386.db2.gz KLLIILISDPAKLC-GFCCVEGCSA-N 1 0 223.364 2.308 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000706966377 712161100 /nfs/dbraw/zinc/16/11/00/712161100.db2.gz JVNZSXTUKFFYND-OCCSQVGLSA-N 1 0 212.296 2.461 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)ccc1F ZINC000706999329 712164262 /nfs/dbraw/zinc/16/42/62/712164262.db2.gz JGZULXVMSBYYAC-MFKMUULPSA-N 1 0 216.259 2.292 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C[C@@H]1C ZINC001036271481 712165620 /nfs/dbraw/zinc/16/56/20/712165620.db2.gz KBWMXOLOCMLBPP-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](C)[NH2+]CC ZINC000707983711 712174788 /nfs/dbraw/zinc/17/47/88/712174788.db2.gz DBMPDEOAKBWCPC-LLVKDONJSA-N 1 0 214.353 2.071 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000708933124 712203327 /nfs/dbraw/zinc/20/33/27/712203327.db2.gz XLKATCMQAOLIFX-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CCC[N@H+]1CC[C@@](C)(C(F)(F)F)C1 ZINC000708927307 712203721 /nfs/dbraw/zinc/20/37/21/712203721.db2.gz NEGAPBDYYDDAAY-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)Cn1ccnc1 ZINC000709992451 712238073 /nfs/dbraw/zinc/23/80/73/712238073.db2.gz WNXIZVYWGMOMLM-NEPJUHHUSA-N 1 0 234.347 2.190 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CCCO1 ZINC000710007561 712239414 /nfs/dbraw/zinc/23/94/14/712239414.db2.gz CSTTXJNDNZLJAU-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO C[N@H+](CCC#N)C[C@H]1CC(C)(C)OC1(C)C ZINC000711258491 712291734 /nfs/dbraw/zinc/29/17/34/712291734.db2.gz GTPSOGLVEXUZGL-LLVKDONJSA-N 1 0 224.348 2.426 20 30 BEEDRO N#Cc1ccc(OCC[N@H+]2CC[C@H](CF)C2)cc1 ZINC000711434399 712299963 /nfs/dbraw/zinc/29/99/63/712299963.db2.gz FPWGBWVPNSLVFP-CYBMUJFWSA-N 1 0 248.301 2.228 20 30 BEEDRO C[C@H]([NH2+]CCOC1CC1)c1ccc(C#N)cc1 ZINC000711679914 712316762 /nfs/dbraw/zinc/31/67/62/712316762.db2.gz GVKQXKOLRVMTAJ-NSHDSACASA-N 1 0 230.311 2.388 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2CSC2)c1 ZINC000700459755 712356077 /nfs/dbraw/zinc/35/60/77/712356077.db2.gz NEVHFXCLMVEPNX-UHFFFAOYSA-N 1 0 218.325 2.011 20 30 BEEDRO CO[C@@H](C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000378735553 712359777 /nfs/dbraw/zinc/35/97/77/712359777.db2.gz GCJSXPMCXXNIBN-HNNXBMFYSA-N 1 0 229.323 2.053 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000379418751 712384137 /nfs/dbraw/zinc/38/41/37/712384137.db2.gz WPFPCLYPZKQDAS-VHSXEESVSA-N 1 0 248.164 2.300 20 30 BEEDRO C#CCCC[NH2+]Cc1sccc1OC ZINC000379650267 712391377 /nfs/dbraw/zinc/39/13/77/712391377.db2.gz DTPUOWGQKGOQFS-UHFFFAOYSA-N 1 0 209.314 2.260 20 30 BEEDRO CC[N@@H+]1CC[C@@H]1CNc1cccc(F)c1C#N ZINC000712579073 712432588 /nfs/dbraw/zinc/43/25/88/712432588.db2.gz KSKRRIFPIOBWTI-SNVBAGLBSA-N 1 0 233.290 2.203 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000713031569 712451482 /nfs/dbraw/zinc/45/14/82/712451482.db2.gz XSHXUBNIOMWAJC-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CC(C)(C)CC[C@H]1C ZINC000713062153 712451884 /nfs/dbraw/zinc/45/18/84/712451884.db2.gz AEPMFSJQIHZGAA-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCN(CC=C)C(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713094537 712452286 /nfs/dbraw/zinc/45/22/86/712452286.db2.gz XHEOJNIJDFLSGF-GFCCVEGCSA-N 1 0 238.375 2.197 20 30 BEEDRO C=C/C=C/CC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000713498536 712462884 /nfs/dbraw/zinc/46/28/84/712462884.db2.gz AQHXLYQRTSFMRO-BWPKMQGJSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@@H](CC#N)N(C)C[C@H]1CCC(C)(C)CO1 ZINC000713619299 712467332 /nfs/dbraw/zinc/46/73/32/712467332.db2.gz NDLHLBIQNRLVEW-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO CCN(CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713618407 712467381 /nfs/dbraw/zinc/46/73/81/712467381.db2.gz KHVZZOBUDZKZEW-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(C(C)(C)O)CC1 ZINC000715042569 712504772 /nfs/dbraw/zinc/50/47/72/712504772.db2.gz CGYZAQNXRKLAPQ-LLVKDONJSA-N 1 0 211.349 2.434 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H]1CC12CC2 ZINC000715345269 712521168 /nfs/dbraw/zinc/52/11/68/712521168.db2.gz UKLNZVCPPCGJDE-AWEZNQCLSA-N 1 0 227.307 2.341 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715835943 712534631 /nfs/dbraw/zinc/53/46/31/712534631.db2.gz LYSONAUDFLBVIB-MNOVXSKESA-N 1 0 222.336 2.211 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C/C=C/c1ccccc1 ZINC000716356328 712556350 /nfs/dbraw/zinc/55/63/50/712556350.db2.gz ONPUQBJWDFNRKK-XKOZXHHJSA-N 1 0 229.323 2.328 20 30 BEEDRO Cc1n[nH]c(C[NH2+]Cc2ccc(C#N)cc2)c1C ZINC000716440126 712560665 /nfs/dbraw/zinc/56/06/65/712560665.db2.gz LHOKQYUNAJUHSG-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]CC#Cc1ccccc1 ZINC000716909946 712582131 /nfs/dbraw/zinc/58/21/31/712582131.db2.gz QLMIRJYPFMYPDM-ZFWWWQNUSA-N 1 0 231.339 2.177 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1 ZINC000809639467 712584892 /nfs/dbraw/zinc/58/48/92/712584892.db2.gz VNQXCDPWLKWIQK-IUODEOHRSA-N 1 0 229.323 2.325 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000826861608 712592642 /nfs/dbraw/zinc/59/26/42/712592642.db2.gz HFLOEIXCEGOZKG-OLZOCXBDSA-N 1 0 220.316 2.305 20 30 BEEDRO C#CC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000830284553 712594798 /nfs/dbraw/zinc/59/47/98/712594798.db2.gz GPXMCMIGENSENZ-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CC1CCC1 ZINC000716928736 712596424 /nfs/dbraw/zinc/59/64/24/712596424.db2.gz NFKWRZWMSMGPLP-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)sc1C ZINC000716931844 712597012 /nfs/dbraw/zinc/59/70/12/712597012.db2.gz BAGLQEPMEWRJKN-CYBMUJFWSA-N 1 0 237.368 2.493 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000716933274 712597331 /nfs/dbraw/zinc/59/73/31/712597331.db2.gz HIJLCHTVQSWFEC-HNNXBMFYSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)ccc1F ZINC000716939163 712598046 /nfs/dbraw/zinc/59/80/46/712598046.db2.gz ZRNHOOWDWSUGDS-CYBMUJFWSA-N 1 0 235.302 2.262 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000716942773 712598162 /nfs/dbraw/zinc/59/81/62/712598162.db2.gz CEXKTQWQZLRXIR-SWLSCSKDSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(OCC)cc1 ZINC000716949742 712598876 /nfs/dbraw/zinc/59/88/76/712598876.db2.gz UFPDAWOHYALYNM-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO N#CCCCCC(=O)OCC[NH+]1CCCCC1 ZINC000848866339 712610201 /nfs/dbraw/zinc/61/02/01/712610201.db2.gz JXUHUPKCKWMMIJ-UHFFFAOYSA-N 1 0 238.331 2.099 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000848923529 712610247 /nfs/dbraw/zinc/61/02/47/712610247.db2.gz MKDGHWLKIFSISC-GFCCVEGCSA-N 1 0 243.306 2.261 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000848923773 712610441 /nfs/dbraw/zinc/61/04/41/712610441.db2.gz JNPCPDITBKQNGM-CQSZACIVSA-N 1 0 245.370 2.365 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000379847267 712616707 /nfs/dbraw/zinc/61/67/07/712616707.db2.gz IFGDOFXSHWDZKG-TUAOUCFPSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)oc1C ZINC000379968803 712641067 /nfs/dbraw/zinc/64/10/67/712641067.db2.gz AGPBUPNUQCXRIJ-UHFFFAOYSA-N 1 0 209.289 2.189 20 30 BEEDRO C=CCCCCCCNc1cc(C)[nH+]c(N)n1 ZINC000379984107 712643835 /nfs/dbraw/zinc/64/38/35/712643835.db2.gz JVKYCOADZQTBTQ-UHFFFAOYSA-N 1 0 234.347 2.168 20 30 BEEDRO C=CCC1(O)CC[NH+](CC=C(C)C)CC1 ZINC000717395188 712653800 /nfs/dbraw/zinc/65/38/00/712653800.db2.gz AUIVRHWOSZJOTE-UHFFFAOYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC1(O)CC[NH+](CCOCC(C)C)CC1 ZINC000717408521 712656001 /nfs/dbraw/zinc/65/60/01/712656001.db2.gz XAXVGNGMGZGYLT-UHFFFAOYSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCC1(O)CC[NH+](CCCCC#N)CC1 ZINC000717494743 712659842 /nfs/dbraw/zinc/65/98/42/712659842.db2.gz MDUGQJYRAYRVSB-UHFFFAOYSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CCC)C1CCCC1 ZINC000717569070 712661113 /nfs/dbraw/zinc/66/11/13/712661113.db2.gz AEVGLQGMSHARME-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCC12CCC2 ZINC000717710573 712666177 /nfs/dbraw/zinc/66/61/77/712666177.db2.gz RFMHPXGALJJFGU-OLZOCXBDSA-N 1 0 221.344 2.073 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](CC)C1CCCC1 ZINC000717727228 712667650 /nfs/dbraw/zinc/66/76/50/712667650.db2.gz HYDKEVZNVQCFJR-KGLIPLIRSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000717747569 712668754 /nfs/dbraw/zinc/66/87/54/712668754.db2.gz DNZYEDCKENSPQZ-ILXRZTDVSA-N 1 0 235.371 2.319 20 30 BEEDRO C=CCOCC[NH2+]Cc1sc(C)nc1C ZINC000380008490 712669686 /nfs/dbraw/zinc/66/96/86/712669686.db2.gz LPNKRBULMZLHHD-UHFFFAOYSA-N 1 0 226.345 2.052 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000717762915 712674242 /nfs/dbraw/zinc/67/42/42/712674242.db2.gz DAFOMELKBJRLAU-GFCCVEGCSA-N 1 0 239.265 2.098 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C1CCC2(CCCC2)CC1 ZINC000717762429 712674275 /nfs/dbraw/zinc/67/42/75/712674275.db2.gz UCBFKMDKTGNKPJ-AWEZNQCLSA-N 1 0 235.371 2.463 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000717766740 712674298 /nfs/dbraw/zinc/67/42/98/712674298.db2.gz XVUFOEUDJCBJFZ-OUCADQQQSA-N 1 0 247.338 2.267 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000717813017 712680219 /nfs/dbraw/zinc/68/02/19/712680219.db2.gz GBSMDDNXRNDKPC-BFHYXJOUSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000380093947 712685482 /nfs/dbraw/zinc/68/54/82/712685482.db2.gz JRYZRWYPCNAXED-YNEHKIRRSA-N 1 0 209.333 2.051 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H](C#N)C2)C1 ZINC000932154076 712715837 /nfs/dbraw/zinc/71/58/37/712715837.db2.gz DMEOKOOJYXQQIA-ZNMIVQPWSA-N 1 0 249.402 2.200 20 30 BEEDRO C[C@H]1[C@@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000719599728 712814071 /nfs/dbraw/zinc/81/40/71/712814071.db2.gz LUGRVNQRESUIKT-CABZTGNLSA-N 1 0 233.290 2.202 20 30 BEEDRO C[C@@H]1[C@@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000719599735 712814152 /nfs/dbraw/zinc/81/41/52/712814152.db2.gz LUGRVNQRESUIKT-SKDRFNHKSA-N 1 0 233.290 2.202 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719643620 712819646 /nfs/dbraw/zinc/81/96/46/712819646.db2.gz RJPSMVAQCGKFLN-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCO1 ZINC000380217178 712826983 /nfs/dbraw/zinc/82/69/83/712826983.db2.gz IMOCAORWWIDOIB-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc(C)on1 ZINC000720353160 712832907 /nfs/dbraw/zinc/83/29/07/712832907.db2.gz VKYWRDUMZFWDSE-UHFFFAOYSA-N 1 0 226.345 2.382 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCO[C@H](C)CC2)cc1C#N ZINC000720475046 712845545 /nfs/dbraw/zinc/84/55/45/712845545.db2.gz QDFCAMPDVLZNOR-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720777554 712865376 /nfs/dbraw/zinc/86/53/76/712865376.db2.gz GNYPRSYJASJQAG-WDEREUQCSA-N 1 0 215.296 2.121 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)C)[C@H]1CCCO1 ZINC000380312603 712873737 /nfs/dbraw/zinc/87/37/37/712873737.db2.gz HQSQYSSTDZOEOJ-RWMBFGLXSA-N 1 0 209.333 2.191 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000380323422 712883310 /nfs/dbraw/zinc/88/33/10/712883310.db2.gz LFIJZQPGRHWDOY-NWDGAFQWSA-N 1 0 243.441 2.473 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCC)C[C@@H]1CC ZINC001037766123 712886788 /nfs/dbraw/zinc/88/67/88/712886788.db2.gz LCTANSVXCBYUPD-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]CC(CC)CC)[C@H]1CCCO1 ZINC000380335969 712888549 /nfs/dbraw/zinc/88/85/49/712888549.db2.gz PZLGEKNUSFSXTF-CHWSQXEVSA-N 1 0 209.333 2.193 20 30 BEEDRO CCO[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000721166139 712893474 /nfs/dbraw/zinc/89/34/74/712893474.db2.gz IOPQTLUQTMUAKB-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CCCC(C)C ZINC001167222835 957553558 /nfs/dbraw/zinc/55/35/58/957553558.db2.gz QQDZXIIKAOIPKP-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000724153746 958742618 /nfs/dbraw/zinc/74/26/18/958742618.db2.gz HBZSCCCNWRWSDU-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)CC1=CCCCC1 ZINC001267354584 959514700 /nfs/dbraw/zinc/51/47/00/959514700.db2.gz RVVWEJPTUAFOOF-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C[C@@H](C)CCC ZINC001481212363 960224149 /nfs/dbraw/zinc/22/41/49/960224149.db2.gz JFABCADKJKTUNG-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC(C)C)C1 ZINC001267755635 960298350 /nfs/dbraw/zinc/29/83/50/960298350.db2.gz MZGDXAKGRYFIID-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NCCC(C)(C)[NH3+] ZINC001353499708 960346761 /nfs/dbraw/zinc/34/67/61/960346761.db2.gz CLNXDHAMWLEOOA-UHFFFAOYSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](N(C)C)[C@@H]1C ZINC000931037020 960492582 /nfs/dbraw/zinc/49/25/82/960492582.db2.gz KCPZFBBNXLQRIA-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1COC(C)(C)C1 ZINC000695890987 960568129 /nfs/dbraw/zinc/56/81/29/960568129.db2.gz KQIOHNGTCUQYTF-MNOVXSKESA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)CC1CC1 ZINC001268229512 961452692 /nfs/dbraw/zinc/45/26/92/961452692.db2.gz MXWRLHCFXNWBQB-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2CCC ZINC001481676449 961546970 /nfs/dbraw/zinc/54/69/70/961546970.db2.gz FZQZANBXDPNIHQ-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC(C)C ZINC001268677665 962273516 /nfs/dbraw/zinc/27/35/16/962273516.db2.gz MJOMZMJWEJBRLL-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C=C1CCCCC1 ZINC001268680839 962278055 /nfs/dbraw/zinc/27/80/55/962278055.db2.gz ZTQAWFFZKQKDIM-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC001268681569 962281509 /nfs/dbraw/zinc/28/15/09/962281509.db2.gz FKWRHSLISFZEEZ-BCPZQOPPSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)CC ZINC001151533361 962308156 /nfs/dbraw/zinc/30/81/56/962308156.db2.gz KTOCKRJHXMJYIA-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)/C=C(\C)CC ZINC001268731188 962320534 /nfs/dbraw/zinc/32/05/34/962320534.db2.gz ZFKIVFBHNITXDT-XSNHNAGMSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC001154079383 962701595 /nfs/dbraw/zinc/70/15/95/962701595.db2.gz HKPHNPBRRHIHLB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC)C1 ZINC001270529712 963001069 /nfs/dbraw/zinc/00/10/69/963001069.db2.gz MQTYTIZKORXJLB-OCCSQVGLSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)/C(C)=C\CC ZINC001270905286 963276429 /nfs/dbraw/zinc/27/64/29/963276429.db2.gz QVQVITCUDPERQA-SUIFULHWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)[C@H](C)CC[NH+](C)C ZINC001156300149 963307484 /nfs/dbraw/zinc/30/74/84/963307484.db2.gz IHAFABBIFLHLGN-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](CCC)C1CCC1 ZINC000320634653 963583102 /nfs/dbraw/zinc/58/31/02/963583102.db2.gz LJYDSXFXKRSJJE-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1cc(NC2=C[NH2+]CCC2)ccc1F ZINC001159478450 964108063 /nfs/dbraw/zinc/10/80/63/964108063.db2.gz OVVVNBHKFWJRBZ-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO C=C/C(C)=C/CC(=O)N[C@@H](C)CC[NH2+]CC#CC ZINC001482863182 964222710 /nfs/dbraw/zinc/22/27/10/964222710.db2.gz HBJRLPZTDCYNND-CZAWJFPGSA-N 1 0 248.370 2.017 20 30 BEEDRO C=C(C)C(=O)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001142512223 964345379 /nfs/dbraw/zinc/34/53/79/964345379.db2.gz OPPBRQPMRRTVMC-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO CC#C[C@H](CC)OCC1CC[NH+](C)CC1 ZINC001224457929 964673537 /nfs/dbraw/zinc/67/35/37/964673537.db2.gz WPHYFDRJDGTXKN-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO Cc1ccc(NCCCCC#N)[nH+]c1N ZINC001168426827 965448151 /nfs/dbraw/zinc/44/81/51/965448151.db2.gz FEAIMEIENIRAKP-UHFFFAOYSA-N 1 0 204.277 2.078 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000176387247 965654660 /nfs/dbraw/zinc/65/46/60/965654660.db2.gz MIMYHYCXIGTBGY-GFCCVEGCSA-N 1 0 228.380 2.271 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCCC)[C@H](C)C1 ZINC001483898164 966399099 /nfs/dbraw/zinc/39/90/99/966399099.db2.gz GCXXMPOQMSRIMV-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CC(C)C ZINC001485180755 966557581 /nfs/dbraw/zinc/55/75/81/966557581.db2.gz GQZFOVQMMCEXQD-NWDGAFQWSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](C)CCC1CC1 ZINC001485284993 966572283 /nfs/dbraw/zinc/57/22/83/966572283.db2.gz WTEVZTTURWQHBF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC)C(C)(C)C1 ZINC000940497165 966636719 /nfs/dbraw/zinc/63/67/19/966636719.db2.gz GUFKXUSHQSRCQT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CNC(=[NH2+])Nc1ccccc1C ZINC000162452609 966699688 /nfs/dbraw/zinc/69/96/88/966699688.db2.gz GXCORODVKPHOBS-UHFFFAOYSA-N 1 0 203.289 2.298 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001690981685 1165802457 /nfs/dbraw/zinc/80/24/57/1165802457.db2.gz ALABMNQWXUIYRI-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205025247 967118592 /nfs/dbraw/zinc/11/85/92/967118592.db2.gz FDIHVIFOAOAFOL-AWEZNQCLSA-N 1 0 217.312 2.464 20 30 BEEDRO C=CCCC[N@@H+](CC)CCNC(=O)/C(C)=C/C ZINC001691013816 1165822592 /nfs/dbraw/zinc/82/25/92/1165822592.db2.gz AIYCQNYAVFJRSR-AWNIVKPZSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]CCC)[C@@H]1C ZINC001486077424 967347611 /nfs/dbraw/zinc/34/76/11/967347611.db2.gz CCTNSAFGZWALCI-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCOc1cccc(C[NH2+]CCOCC)c1 ZINC001648821833 1165862102 /nfs/dbraw/zinc/86/21/02/1165862102.db2.gz BQQMPDALCQXKBG-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)[C@H](C)CC)C1CC1 ZINC001670444539 1165906126 /nfs/dbraw/zinc/90/61/26/1165906126.db2.gz XOINSWDQPJFZHC-YPMHNXCESA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)CC)C1CC1 ZINC001670444538 1165906300 /nfs/dbraw/zinc/90/63/00/1165906300.db2.gz XOINSWDQPJFZHC-WCQYABFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@@H](C)C(C)C)CCC1 ZINC001273166313 968025054 /nfs/dbraw/zinc/02/50/54/968025054.db2.gz OAHZQLXPEVGZGU-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C[NH+](C)CCO[C@@H](CC#N)c1ccccc1 ZINC001206278754 968193915 /nfs/dbraw/zinc/19/39/15/968193915.db2.gz SEIZTACPAYXLPH-ZDUSSCGKSA-N 1 0 218.300 2.220 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccco1 ZINC001670601384 1165969448 /nfs/dbraw/zinc/96/94/48/1165969448.db2.gz QBZGLQNTHZTHSU-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001659082266 1165998108 /nfs/dbraw/zinc/99/81/08/1165998108.db2.gz USEIKZOYXSNYSQ-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[NH2+]Cc1cc2ccccc2n1C ZINC000238532571 1166039150 /nfs/dbraw/zinc/03/91/50/1166039150.db2.gz RZSHUOTVYZXONL-UHFFFAOYSA-N 1 0 200.285 2.454 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H](C)O ZINC001252120049 968606625 /nfs/dbraw/zinc/60/66/25/968606625.db2.gz MHOVTAAOFSNYQE-CHWSQXEVSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H]1CCO1 ZINC001252135619 968609201 /nfs/dbraw/zinc/60/92/01/968609201.db2.gz GNBSIQMYVFBGHL-UONOGXRCSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCO1 ZINC001252135620 968609982 /nfs/dbraw/zinc/60/99/82/968609982.db2.gz GNBSIQMYVFBGHL-ZIAGYGMSSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)=O ZINC001252136984 968610537 /nfs/dbraw/zinc/61/05/37/968610537.db2.gz VBZIXSZWRVXSMS-ZDUSSCGKSA-N 1 0 229.364 2.277 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](CCC)[C@H](C)CC ZINC001252452818 968705801 /nfs/dbraw/zinc/70/58/01/968705801.db2.gz COQAMBIEDFSCSF-CHWSQXEVSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCOC[C@H](O)C[N@H+]1CCCC[C@@H]1CCC ZINC001252465432 968723649 /nfs/dbraw/zinc/72/36/49/968723649.db2.gz GVLURVHMYKBHGH-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C)CCCC(C)C ZINC001252487237 968745238 /nfs/dbraw/zinc/74/52/38/968745238.db2.gz PLEKHGQKUAJYIV-ZIAGYGMSSA-N 1 0 243.391 2.354 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1sccc1C ZINC001252541490 968764947 /nfs/dbraw/zinc/76/49/47/968764947.db2.gz MNUXRABOTBFLKC-NSHDSACASA-N 1 0 211.330 2.083 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccccc1Cl ZINC001252539297 968773204 /nfs/dbraw/zinc/77/32/04/968773204.db2.gz SFPZTEUHYDATEO-LBPRGKRZSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](CCC#N)C1CCCC1 ZINC001252549693 968787851 /nfs/dbraw/zinc/78/78/51/968787851.db2.gz HATRZAFOKJGGMV-CYBMUJFWSA-N 1 0 222.332 2.082 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CC(c2ccccc2)C1 ZINC001252560453 968806506 /nfs/dbraw/zinc/80/65/06/968806506.db2.gz SIXPUZGRSCVZPX-CQSZACIVSA-N 1 0 217.312 2.023 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC001252560615 968807047 /nfs/dbraw/zinc/80/70/47/968807047.db2.gz UWVCWJVUDIAPLB-UONOGXRCSA-N 1 0 217.312 2.370 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccccc2)CC1 ZINC001252571189 968820918 /nfs/dbraw/zinc/82/09/18/968820918.db2.gz FVXRHMTYZFNDPN-CYBMUJFWSA-N 1 0 217.312 2.202 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)c1ccccc1 ZINC001252573068 968823516 /nfs/dbraw/zinc/82/35/16/968823516.db2.gz YHDZSJLCGIULMZ-OAHLLOKOSA-N 1 0 233.355 2.491 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(C)cc(F)c1 ZINC001252575543 968826836 /nfs/dbraw/zinc/82/68/36/968826836.db2.gz DBNACZZWXNIUKX-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CC)c1ccncc1 ZINC001252575564 968828148 /nfs/dbraw/zinc/82/81/48/968828148.db2.gz DCBDIGFMJGITQG-QWHCGFSZSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001252585867 968839588 /nfs/dbraw/zinc/83/95/88/968839588.db2.gz AHPBVPCHQPENFJ-NSHDSACASA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC001252612674 968867992 /nfs/dbraw/zinc/86/79/92/968867992.db2.gz QAILASKGFMLVNE-QWRGUYRKSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC001252614744 968873152 /nfs/dbraw/zinc/87/31/52/968873152.db2.gz OEDVAMABYAEUIR-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCCCCCCO ZINC001252620622 968879604 /nfs/dbraw/zinc/87/96/04/968879604.db2.gz XOKMVIZZEXPSGD-CQSZACIVSA-N 1 0 243.391 2.236 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[C@@H]([NH2+]C(C)C)C1 ZINC001691212063 1166161354 /nfs/dbraw/zinc/16/13/54/1166161354.db2.gz BEICVTMVJHFDDA-QWHCGFSZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)F ZINC001691242372 1166169511 /nfs/dbraw/zinc/16/95/11/1166169511.db2.gz IWDUWWYCAAUADI-LLVKDONJSA-N 1 0 244.354 2.137 20 30 BEEDRO CC1(C[NH+]2CCC(C#N)CC2)CCOCC1 ZINC001207964103 968962751 /nfs/dbraw/zinc/96/27/51/968962751.db2.gz NRIUABFJPLPPKD-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[NH+](CC=C)CC1(C)CCOCC1 ZINC001207969581 968966943 /nfs/dbraw/zinc/96/69/43/968966943.db2.gz OMLJJEPOLUHUPD-UHFFFAOYSA-N 1 0 209.333 2.477 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2(C)CCOCC2)C1 ZINC001208076927 968977853 /nfs/dbraw/zinc/97/78/53/968977853.db2.gz MRTQXXVFGXNNQT-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C1CCCC1 ZINC001698810190 1166207946 /nfs/dbraw/zinc/20/79/46/1166207946.db2.gz BHJWTKVGLJDSDR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C)COC ZINC001253228346 969117082 /nfs/dbraw/zinc/11/70/82/969117082.db2.gz SQVJESPPJCDYOI-KBPBESRZSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](CC)CO ZINC001253227937 969117264 /nfs/dbraw/zinc/11/72/64/969117264.db2.gz NZBKOEPQGDJDCV-KBPBESRZSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](CC)CO ZINC001253227939 969117348 /nfs/dbraw/zinc/11/73/48/969117348.db2.gz NZBKOEPQGDJDCV-KGLIPLIRSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCOCC ZINC001253227213 969115752 /nfs/dbraw/zinc/11/57/52/969115752.db2.gz FJAVUDXPIUUFHP-AWEZNQCLSA-N 1 0 243.391 2.500 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[N@@H+](C)CCOC ZINC001253228213 969118019 /nfs/dbraw/zinc/11/80/19/969118019.db2.gz RGNRFKKENPPWTF-CQSZACIVSA-N 1 0 243.391 2.452 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C1(C)COC1 ZINC001253246960 969118940 /nfs/dbraw/zinc/11/89/40/969118940.db2.gz DYBUWFFQJGVAOS-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO N#Cc1cccc(Nc2cc[nH+]c(N)c2)c1 ZINC000227648553 1166240165 /nfs/dbraw/zinc/24/01/65/1166240165.db2.gz SQCOGMNVZCSNAP-UHFFFAOYSA-N 1 0 210.240 2.279 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001208252203 969130380 /nfs/dbraw/zinc/13/03/80/969130380.db2.gz HOEUCUHJFONSAV-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCCOCCC[NH2+][C@H](CC)CC#N ZINC000229344617 1166245038 /nfs/dbraw/zinc/24/50/38/1166245038.db2.gz PZZUWZCONUXJSZ-GFCCVEGCSA-N 1 0 212.337 2.475 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])c1 ZINC000399783963 1166254807 /nfs/dbraw/zinc/25/48/07/1166254807.db2.gz WLDGWNCLWAOKOZ-RISCZKNCSA-N 1 0 244.338 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCSC ZINC000228915172 1166261203 /nfs/dbraw/zinc/26/12/03/1166261203.db2.gz ZIGXEJYZYJISCH-VHSXEESVSA-N 1 0 200.351 2.410 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccccc1F ZINC001253598534 969290822 /nfs/dbraw/zinc/29/08/22/969290822.db2.gz VKRZVMOANIQCJB-NXEZZACHSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCCc1ccc(C)s1 ZINC001253599987 969294468 /nfs/dbraw/zinc/29/44/68/969294468.db2.gz VLBGKSXVCBNQSU-NSHDSACASA-N 1 0 225.357 2.126 20 30 BEEDRO CCC(=O)C(C)(C)C[NH+]1CCC(S)CC1 ZINC001208921283 969306262 /nfs/dbraw/zinc/30/62/62/969306262.db2.gz ZRBIFOSVTSQOOL-UHFFFAOYSA-N 1 0 229.389 2.386 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C ZINC001253610047 969310572 /nfs/dbraw/zinc/31/05/72/969310572.db2.gz PPUAZDHKJKITOD-KIJLLGNVSA-N 1 0 223.360 2.194 20 30 BEEDRO CCCCCCC[C@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000228996004 1166327636 /nfs/dbraw/zinc/32/76/36/1166327636.db2.gz DZEZJCHTDKDORT-KBPBESRZSA-N 1 0 242.407 2.395 20 30 BEEDRO CCCC[N@@H+](CCC#N)CCCOCOC ZINC001209027631 969323898 /nfs/dbraw/zinc/32/38/98/969323898.db2.gz ZELKNKJDDXQPFM-UHFFFAOYSA-N 1 0 228.336 2.013 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)CC1CC1)C(C)C ZINC001267228684 1166343135 /nfs/dbraw/zinc/34/31/35/1166343135.db2.gz WQWPZKLOWBFPRG-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000154799158 1166346502 /nfs/dbraw/zinc/34/65/02/1166346502.db2.gz GNBYZNKTEJCERO-CQSZACIVSA-N 1 0 232.327 2.167 20 30 BEEDRO CCOC(C)(C)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001209071887 969340499 /nfs/dbraw/zinc/34/04/99/969340499.db2.gz GPSUQYZPZUMFGJ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC(C)(C)OCC)C1 ZINC001209077908 969349551 /nfs/dbraw/zinc/34/95/51/969349551.db2.gz RHCOYSNZVUQJTF-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](OCC)[C@H]2OCCC[C@H]21 ZINC001209158614 969361238 /nfs/dbraw/zinc/36/12/38/969361238.db2.gz SBXIVJJWLARRAT-MCIONIFRSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001754479103 1166380795 /nfs/dbraw/zinc/38/07/95/1166380795.db2.gz UGEFBPMCAGYSIZ-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CCCC[N@H+]1CCc2ncc(C)cc2C1 ZINC001209267796 969419571 /nfs/dbraw/zinc/41/95/71/969419571.db2.gz KICCHPITGYRODR-UHFFFAOYSA-N 1 0 214.312 2.162 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H]1CCN(C)C1 ZINC001209427285 969496797 /nfs/dbraw/zinc/49/67/97/969496797.db2.gz MTXZMMKCWFFVBZ-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000229205004 1166435434 /nfs/dbraw/zinc/43/54/34/1166435434.db2.gz NMEWIHPLOSQOIS-KWQFWETISA-N 1 0 227.254 2.162 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001691475811 1166449656 /nfs/dbraw/zinc/44/96/56/1166449656.db2.gz GYDWDCVZUMAVSY-TXEJJXNPSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+]C1CCC2(CC2)CC1 ZINC001254434918 969612502 /nfs/dbraw/zinc/61/25/02/969612502.db2.gz WRHGFEJSGHMZQT-UHFFFAOYSA-N 1 0 237.343 2.418 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H](C)CCC(C)C ZINC000309072214 1166474026 /nfs/dbraw/zinc/47/40/26/1166474026.db2.gz FKOLAEZHECSMPX-STQMWFEESA-N 1 0 211.349 2.175 20 30 BEEDRO N#C[C@@H](O[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217860170 1166482251 /nfs/dbraw/zinc/48/22/51/1166482251.db2.gz OSQJGRCZZNDDJC-QWHCGFSZSA-N 1 0 216.284 2.020 20 30 BEEDRO C#C[C@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000309161411 1166482366 /nfs/dbraw/zinc/48/23/66/1166482366.db2.gz ZECNPDQFSQAYNV-VIFPVBQESA-N 1 0 209.239 2.119 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)C(CC)CC ZINC001754606665 1166484977 /nfs/dbraw/zinc/48/49/77/1166484977.db2.gz YWYAUUARUMQPAP-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(F)ccc1C ZINC000393800789 1166535227 /nfs/dbraw/zinc/53/52/27/1166535227.db2.gz QCSGWTFXQLLJTR-ZDUSSCGKSA-N 1 0 223.291 2.425 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C=C(C)C ZINC001481023319 1166536647 /nfs/dbraw/zinc/53/66/47/1166536647.db2.gz CTRVMANSNYXNSK-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C=C(CC)CC ZINC001156488436 969904286 /nfs/dbraw/zinc/90/42/86/969904286.db2.gz ONABYRZWVFNGJU-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO CCOC(=O)CCC[C@H](C)[NH2+][C@@H](C)CC#N ZINC000309504168 1166576200 /nfs/dbraw/zinc/57/62/00/1166576200.db2.gz ALWKNLDZIHSBRZ-QWRGUYRKSA-N 1 0 226.320 2.000 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001112598192 970099663 /nfs/dbraw/zinc/09/96/63/970099663.db2.gz PVOCOHHQJILMFH-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC(C)(C)O ZINC000695787465 1166684511 /nfs/dbraw/zinc/68/45/11/1166684511.db2.gz NMIODXQDDHIBOC-JTQLQIEISA-N 1 0 212.337 2.065 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787421 1166684462 /nfs/dbraw/zinc/68/44/62/1166684462.db2.gz NBHFZYYORXPPMZ-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO CC1(C)C[C@H]([NH+]2CCC(C#N)CC2)CCO1 ZINC001255535441 970303917 /nfs/dbraw/zinc/30/39/17/970303917.db2.gz MYYUKPSCKHYNBM-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC001170112288 970324492 /nfs/dbraw/zinc/32/44/92/970324492.db2.gz IJXXVPKLWZNWTI-IHRRRGAJSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CCCC1 ZINC000695811976 1166689176 /nfs/dbraw/zinc/68/91/76/1166689176.db2.gz LKCAGKCNBVIUEY-LBPRGKRZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@H](C)CC(F)(F)F ZINC001255636265 970407756 /nfs/dbraw/zinc/40/77/56/970407756.db2.gz NHDBSJBTIFEQGO-MRVPVSSYSA-N 1 0 239.237 2.036 20 30 BEEDRO C#CCCCCC[N@H+](C)CCCCCO ZINC000686682221 1166747244 /nfs/dbraw/zinc/74/72/44/1166747244.db2.gz KDTRCGVOJXVCJR-UHFFFAOYSA-N 1 0 211.349 2.274 20 30 BEEDRO C#CCC[NH2+][C@H](CC)CNC(=O)C/C=C(/C)C=C ZINC001732212849 1166803964 /nfs/dbraw/zinc/80/39/64/1166803964.db2.gz XQFJUQMRPILPRE-RNQWEJQRSA-N 1 0 248.370 2.017 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C)[C@@H](C)CC ZINC001714567570 1166810496 /nfs/dbraw/zinc/81/04/96/1166810496.db2.gz ARBMNSNBBVSLCR-QWHCGFSZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(F)F ZINC001282183138 1166883347 /nfs/dbraw/zinc/88/33/47/1166883347.db2.gz GNUXEFBBVSHFAO-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCC1CCCCC1 ZINC000238467266 1166883500 /nfs/dbraw/zinc/88/35/00/1166883500.db2.gz XBXJTHYAITUKNA-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)(F)F ZINC001282183144 1166883709 /nfs/dbraw/zinc/88/37/09/1166883709.db2.gz GNUXEFBBVSHFAO-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C=C(CC)CC ZINC001268527236 1166951768 /nfs/dbraw/zinc/95/17/68/1166951768.db2.gz FJYDVARXWLVBIW-BQYQJAHWSA-N 1 0 236.359 2.181 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001215379341 970729765 /nfs/dbraw/zinc/72/97/65/970729765.db2.gz LGOMRVMKXYTODY-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](C)C1CCC2(CCOCC2)CC1 ZINC001173048301 975012796 /nfs/dbraw/zinc/01/27/96/975012796.db2.gz NLOZXRIVHSAAJU-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C1CCCC1 ZINC001268635428 1166977502 /nfs/dbraw/zinc/97/75/02/1166977502.db2.gz BSLVRHWUSJTRFF-SNVBAGLBSA-N 1 0 244.766 2.023 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCCC[C@@H]1O ZINC000695818119 1166987923 /nfs/dbraw/zinc/98/79/23/1166987923.db2.gz WUSPOOUIROIJSF-WOPDTQHZSA-N 1 0 224.348 2.208 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC001332433953 975120338 /nfs/dbraw/zinc/12/03/38/975120338.db2.gz KZYYWUYLCMBOEX-DCBWTQNWSA-N 1 0 239.359 2.125 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)CSCC)C1 ZINC001173308255 975218027 /nfs/dbraw/zinc/21/80/27/975218027.db2.gz FNYNHPAFIPRNJV-RYUDHWBXSA-N 1 0 211.374 2.473 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@H]2C)CC1 ZINC001173307966 975218524 /nfs/dbraw/zinc/21/85/24/975218524.db2.gz CDYQZOYRIQHVBF-IKWCTNDRSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCOC1CCC([NH2+]CC(C)(C)CO)CC1 ZINC001173309545 975221295 /nfs/dbraw/zinc/22/12/95/975221295.db2.gz XHNVYQWAPLYNOG-UHFFFAOYSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC1CCC([NH2+]CCSC)CC1 ZINC001173311910 975223522 /nfs/dbraw/zinc/22/35/22/975223522.db2.gz QYMGSFFVGBCVHT-UHFFFAOYSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)C[NH2+]CC=C(C)C ZINC001270371556 1167062079 /nfs/dbraw/zinc/06/20/79/1167062079.db2.gz ITZHTKGGLDUICC-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C[C@H]1COCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000894419465 1167071096 /nfs/dbraw/zinc/07/10/96/1167071096.db2.gz FISJVBWWEHWJFR-GOEBONIOSA-N 1 0 243.350 2.300 20 30 BEEDRO CCSC[C@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001173289290 975253438 /nfs/dbraw/zinc/25/34/38/975253438.db2.gz SNLJMTXIHMVBGN-QMMMGPOBSA-N 1 0 241.335 2.068 20 30 BEEDRO C[C@H]1COCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000894419466 1167070806 /nfs/dbraw/zinc/07/08/06/1167070806.db2.gz FISJVBWWEHWJFR-HOCLYGCPSA-N 1 0 243.350 2.300 20 30 BEEDRO C=CCOC1CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001173321435 975267803 /nfs/dbraw/zinc/26/78/03/975267803.db2.gz KHJPRCGCCPFVNQ-VTXSZYRJSA-N 1 0 221.344 2.452 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](NC(=O)CC)C(C)(C)C ZINC001332753855 975279731 /nfs/dbraw/zinc/27/97/31/975279731.db2.gz QAQLKODMNPDTCF-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)COc1ccc(C)cc1C ZINC000122742595 1167114991 /nfs/dbraw/zinc/11/49/91/1167114991.db2.gz CDVUCNIYWFMDIM-AWEZNQCLSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@H](C)CCC ZINC001493501900 1167124863 /nfs/dbraw/zinc/12/48/63/1167124863.db2.gz YTOUEWBKKBPSKU-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(CC)C1 ZINC001173367096 975350147 /nfs/dbraw/zinc/35/01/47/975350147.db2.gz DVVAVLGQKQHXLQ-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CCCC[C@@H]1COC ZINC000307778909 1167166344 /nfs/dbraw/zinc/16/63/44/1167166344.db2.gz XSMGEBOLSVAHCS-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CC(C)(C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173587153 975432081 /nfs/dbraw/zinc/43/20/81/975432081.db2.gz OPMKOEBLMNSTAK-UHFFFAOYSA-N 1 0 204.317 2.460 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCCC#N)CC1 ZINC001173588149 975435239 /nfs/dbraw/zinc/43/52/39/975435239.db2.gz AIOLJYTVSBLXLL-UHFFFAOYSA-N 1 0 205.305 2.352 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC(C)(OC)CC1 ZINC000309026477 1167240991 /nfs/dbraw/zinc/24/09/91/1167240991.db2.gz YHBLYLOTRJWLAR-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC000385345867 1167390247 /nfs/dbraw/zinc/39/02/47/1167390247.db2.gz ZHRSUFHGGPGIME-KGLIPLIRSA-N 1 0 236.359 2.429 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)c(C)o1 ZINC000310136226 1167420365 /nfs/dbraw/zinc/42/03/65/1167420365.db2.gz CFRHOOUNOVGXOM-WDEREUQCSA-N 1 0 236.315 2.476 20 30 BEEDRO Cc1cccc(C#N)c1O[C@H]1CCC[N@@H+](C)C1 ZINC001229180265 1167447985 /nfs/dbraw/zinc/44/79/85/1167447985.db2.gz UKQGTWNBLVVAGN-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1([NH2+]CCC)CC1 ZINC001670843052 1167455735 /nfs/dbraw/zinc/45/57/35/1167455735.db2.gz QMYBIMHXFYYIRD-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000082687713 1167515862 /nfs/dbraw/zinc/51/58/62/1167515862.db2.gz XXXSXEALDIZUTG-UHFFFAOYSA-N 1 0 205.223 2.330 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC001691592191 1167519707 /nfs/dbraw/zinc/51/97/07/1167519707.db2.gz YNXQPTKUOKQBDR-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H](CCC)CCC=C ZINC000381353246 1167546538 /nfs/dbraw/zinc/54/65/38/1167546538.db2.gz CIGYTQXTBNGZSG-UONOGXRCSA-N 1 0 223.360 2.485 20 30 BEEDRO N#CCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000033647131 1167552843 /nfs/dbraw/zinc/55/28/43/1167552843.db2.gz VNUBXYVPMLQGFD-LBPRGKRZSA-N 1 0 220.703 2.310 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCC(=C)C ZINC001700749907 1167599380 /nfs/dbraw/zinc/59/93/80/1167599380.db2.gz AUYFPWPFLPWXCQ-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC001336763530 977929813 /nfs/dbraw/zinc/92/98/13/977929813.db2.gz NWJDQRLLMUKLHB-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCCSCC[NH2+]C[C@@H]1CCCOC1 ZINC000696138822 1167655247 /nfs/dbraw/zinc/65/52/47/1167655247.db2.gz IXCNALBKOUYIRM-LBPRGKRZSA-N 1 0 229.389 2.312 20 30 BEEDRO CC1(C#N)CC[NH+](CCc2cscn2)CC1 ZINC001168438155 1167718995 /nfs/dbraw/zinc/71/89/95/1167718995.db2.gz NKRZHKJIOJOLRH-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO C=C(C)CCC(=O)N1CCC12CC[NH+](C)CC2 ZINC001337458990 978350503 /nfs/dbraw/zinc/35/05/03/978350503.db2.gz LUJZMZHYERAWMK-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2ncoc2c1 ZINC001232942793 978353737 /nfs/dbraw/zinc/35/37/37/978353737.db2.gz KJIMXEIZLVTOSK-UHFFFAOYSA-N 1 0 202.257 2.446 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(O)c(O)c(O)c1 ZINC001233016672 978411418 /nfs/dbraw/zinc/41/14/18/978411418.db2.gz JEHCEGXHFBLQKC-UHFFFAOYSA-N 1 0 237.299 2.201 20 30 BEEDRO C=C(Cl)CN(C)CCCNC(=O)[C@@H](C)CC ZINC001234115826 978779895 /nfs/dbraw/zinc/77/98/95/978779895.db2.gz MAZOKKVLOJHAIC-JTQLQIEISA-N 1 0 246.782 2.223 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)[C@@H](C)CC ZINC001234136858 978782855 /nfs/dbraw/zinc/78/28/55/978782855.db2.gz LFBBKLBSYYWDJO-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCCCCN1CCC[C@@H]2[NH2+]C[C@H]21 ZINC001235294575 979011181 /nfs/dbraw/zinc/01/11/81/979011181.db2.gz HKMNSIIZJFUCSQ-QWHCGFSZSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)C[C@H](C)CCC ZINC001235365457 979033795 /nfs/dbraw/zinc/03/37/95/979033795.db2.gz RWSCGCLFISZJFT-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](CC)CCC ZINC001341397238 979373159 /nfs/dbraw/zinc/37/31/59/979373159.db2.gz CPIPNJRWOHZWIX-VXGBXAGGSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001485352797 1168241446 /nfs/dbraw/zinc/24/14/46/1168241446.db2.gz ZMCRZVZKSGWKCQ-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001485375555 1168242846 /nfs/dbraw/zinc/24/28/46/1168242846.db2.gz XNOYIVMBDGHXEA-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000085325377 1168333402 /nfs/dbraw/zinc/33/34/02/1168333402.db2.gz IAMGZIBJLOCMED-BZNIZROVSA-N 1 0 237.368 2.478 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085325371 1168333520 /nfs/dbraw/zinc/33/35/20/1168333520.db2.gz IAMGZIBJLOCMED-MEDUHNTESA-N 1 0 237.368 2.478 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@H](C)[NH2+]CC=C(C)C ZINC001733967757 1168346655 /nfs/dbraw/zinc/34/66/55/1168346655.db2.gz XTYSEDANBOYFEG-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403492969 1168352292 /nfs/dbraw/zinc/35/22/92/1168352292.db2.gz CAKZNMUNNSDRKB-YEJSDXFRSA-N 1 0 209.358 2.414 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085356752 1168389439 /nfs/dbraw/zinc/38/94/39/1168389439.db2.gz HNBDDXCKSDMZJH-OLZOCXBDSA-N 1 0 243.310 2.014 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001343219816 980038027 /nfs/dbraw/zinc/03/80/27/980038027.db2.gz FMXDKCSOKYUJMX-RYUDHWBXSA-N 1 0 225.332 2.367 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CSC2)C1 ZINC001184387494 980058009 /nfs/dbraw/zinc/05/80/09/980058009.db2.gz LGESVUVKFPYPFU-ZYHUDNBSSA-N 1 0 224.373 2.411 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000711490994 1168408764 /nfs/dbraw/zinc/40/87/64/1168408764.db2.gz JZMSXXNRNHWYIQ-JTQLQIEISA-N 1 0 237.324 2.036 20 30 BEEDRO [NH3+]CCc1ccccc1NC1=CC(=O)CCC1 ZINC001163457870 1168413206 /nfs/dbraw/zinc/41/32/06/1168413206.db2.gz IAUSXOARHQMKHH-UHFFFAOYSA-N 1 0 230.311 2.237 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387518847 1168430874 /nfs/dbraw/zinc/43/08/74/1168430874.db2.gz JWUKKGIKWZXMCI-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCC ZINC001151548624 980359066 /nfs/dbraw/zinc/35/90/66/980359066.db2.gz MIBJCFBDNNXVLK-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO Cc1cccnc1C[NH2+]CC(C)(C)CC#N ZINC001344570513 980433342 /nfs/dbraw/zinc/43/33/42/980433342.db2.gz WRRKTZFKQLEQAJ-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001187307166 980499303 /nfs/dbraw/zinc/49/93/03/980499303.db2.gz XKEKRWMOAAKLET-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H]1CCN(C(C)=O)C1 ZINC001188556534 980658474 /nfs/dbraw/zinc/65/84/74/980658474.db2.gz ZNUVWMQNDIJSEB-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(C(C)=O)C1 ZINC001188556535 980660000 /nfs/dbraw/zinc/66/00/00/980660000.db2.gz ZNUVWMQNDIJSEB-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC001345645265 980660962 /nfs/dbraw/zinc/66/09/62/980660962.db2.gz APKRMQMTPIQOGA-SNVBAGLBSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001189592733 980805868 /nfs/dbraw/zinc/80/58/68/980805868.db2.gz BLSBFMDBHMOEMJ-UWUHSAQLSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001189592734 980805885 /nfs/dbraw/zinc/80/58/85/980805885.db2.gz BLSBFMDBHMOEMJ-XEVNVYFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001133730362 1168573697 /nfs/dbraw/zinc/57/36/97/1168573697.db2.gz AIIUOPKJZZFIOQ-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCF ZINC001135358206 1168602190 /nfs/dbraw/zinc/60/21/90/1168602190.db2.gz OOTMMABDZUCUSK-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171445950 1168672190 /nfs/dbraw/zinc/67/21/90/1168672190.db2.gz NARCAEYHBRHTIE-LLVKDONJSA-N 1 0 236.265 2.325 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@H]1CCOC1 ZINC001172311907 1168678054 /nfs/dbraw/zinc/67/80/54/1168678054.db2.gz CGCIMNALZYHZNH-DOMZBBRYSA-N 1 0 244.338 2.210 20 30 BEEDRO CCCOCC[NH2+]C1CCC(CC#N)CC1 ZINC001173328171 1168686053 /nfs/dbraw/zinc/68/60/53/1168686053.db2.gz QGZSSWWWVTVHMQ-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173335694 1168687498 /nfs/dbraw/zinc/68/74/98/1168687498.db2.gz VMKMSLRXMFHSGX-UHFFFAOYSA-N 1 0 247.386 2.262 20 30 BEEDRO C[N@H+](C1CCC(CC#N)CC1)C1(C)COC1 ZINC001173337256 1168688576 /nfs/dbraw/zinc/68/85/76/1168688576.db2.gz DCVRBUWDXHROKA-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)[C@H]([NH2+]CCC(C)(C)C#N)C(C)(C)O ZINC001194176200 981589970 /nfs/dbraw/zinc/58/99/70/981589970.db2.gz JQNFDOHPOLPLPQ-NSHDSACASA-N 1 0 226.364 2.311 20 30 BEEDRO C=CCCc1csc([C@@H]2CC[NH2+]C2)n1 ZINC001350092730 981868430 /nfs/dbraw/zinc/86/84/30/981868430.db2.gz OVTCVJPBDWWUFO-SECBINFHSA-N 1 0 208.330 2.339 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)CCCC)CC1 ZINC001194882754 981949658 /nfs/dbraw/zinc/94/96/58/981949658.db2.gz GNFVJFWQKUAVHK-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C(CC)C(=O)NCC1CC[NH+](CCC)CC1 ZINC001351112870 982207874 /nfs/dbraw/zinc/20/78/74/982207874.db2.gz LVAYKLGTMUHMAV-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCCCCCCCC[C@@H](O)C[NH2+]CCO ZINC000136158316 1168783695 /nfs/dbraw/zinc/78/36/95/1168783695.db2.gz IBJKVVLQRFTGBL-CQSZACIVSA-N 1 0 245.407 2.460 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001192058821 1168788009 /nfs/dbraw/zinc/78/80/09/1168788009.db2.gz BSXBHBABBQRRBC-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198685556 1168826390 /nfs/dbraw/zinc/82/63/90/1168826390.db2.gz MOZGOIZVIIIQDL-QWHCGFSZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCOCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001198686268 1168826674 /nfs/dbraw/zinc/82/66/74/1168826674.db2.gz TVHFIXAMMBHQAF-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001110610692 1168854474 /nfs/dbraw/zinc/85/44/74/1168854474.db2.gz NWTMSZVOUKEOLS-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1CCc2c(C)cccc2C1 ZINC001252542068 1168876716 /nfs/dbraw/zinc/87/67/16/1168876716.db2.gz ZJERECJEQPBOCA-OAHLLOKOSA-N 1 0 231.339 2.290 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000862445380 1168884985 /nfs/dbraw/zinc/88/49/85/1168884985.db2.gz SBBFIDRCPVFMGF-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1ccccc1 ZINC001252573048 1168888390 /nfs/dbraw/zinc/88/83/90/1168888390.db2.gz XTBRMHJICYYOLF-YPMHNXCESA-N 1 0 205.301 2.274 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC001252573437 1168888977 /nfs/dbraw/zinc/88/89/77/1168888977.db2.gz DVDUAZNRNMSLDD-GXSJLCMTSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(F)c(F)cc1F ZINC001252572851 1168887075 /nfs/dbraw/zinc/88/70/75/1168887075.db2.gz VIWQCBVSWMTNOT-LBPRGKRZSA-N 1 0 245.244 2.131 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000379927001 1168926583 /nfs/dbraw/zinc/92/65/83/1168926583.db2.gz ULAUGTICVUUMPQ-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001671098866 1168977747 /nfs/dbraw/zinc/97/77/47/1168977747.db2.gz GDLDPGODUHVCAG-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN1CC[NH+](C[C@@H](C)CCC)CC1 ZINC001201549445 983302934 /nfs/dbraw/zinc/30/29/34/983302934.db2.gz BBXDKRJTPZOSOH-ZDUSSCGKSA-N 1 0 210.365 2.226 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1ccc(SC)cc1 ZINC000717848010 1169032103 /nfs/dbraw/zinc/03/21/03/1169032103.db2.gz IPPWFTKSDSDRMR-ZDUSSCGKSA-N 1 0 249.379 2.272 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)CCC ZINC001275782212 1169055856 /nfs/dbraw/zinc/05/58/56/1169055856.db2.gz OXXIJXBWJAUZOP-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@H](CC)CCC ZINC001257246121 1169071374 /nfs/dbraw/zinc/07/13/74/1169071374.db2.gz CCWGKBZRNUGUNR-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO CCC[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001257255940 1169072657 /nfs/dbraw/zinc/07/26/57/1169072657.db2.gz BZXCCAMCTNHJTN-QWRGUYRKSA-N 1 0 230.352 2.075 20 30 BEEDRO C=C[C@@H](C)[C@H](C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001202084686 983550436 /nfs/dbraw/zinc/55/04/36/983550436.db2.gz HSQDINBCYHKJHJ-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000686677153 1169109390 /nfs/dbraw/zinc/10/93/90/1169109390.db2.gz DMIULQSDJOPVEE-GFCCVEGCSA-N 1 0 211.349 2.271 20 30 BEEDRO C#CCCCCC[N@H+]1CCOC[C@H]1CC ZINC000686677156 1169108829 /nfs/dbraw/zinc/10/88/29/1169108829.db2.gz VDGJLEQAYFMLDS-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000686677155 1169109048 /nfs/dbraw/zinc/10/90/48/1169109048.db2.gz DMIULQSDJOPVEE-LBPRGKRZSA-N 1 0 211.349 2.271 20 30 BEEDRO C#CCCCCC[N@@H+](C)CC1(O)CCCC1 ZINC000686681815 1169110674 /nfs/dbraw/zinc/11/06/74/1169110674.db2.gz YAIDVUBUVJOGAS-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C(CC)CC)C1 ZINC001488813677 983697542 /nfs/dbraw/zinc/69/75/42/983697542.db2.gz XUKDVRRRGJKBIF-AULYBMBSSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)C(C)(C)C(=C)C ZINC001493001668 983703443 /nfs/dbraw/zinc/70/34/43/983703443.db2.gz OHSQQMNPVBMJKC-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001490433687 983729891 /nfs/dbraw/zinc/72/98/91/983729891.db2.gz BVCCMKCQOGFIIN-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1(C)CCCC1 ZINC001252589259 983839348 /nfs/dbraw/zinc/83/93/48/983839348.db2.gz LZDXGUPLVRNMGP-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@]1(CC)CC[NH2+]C1 ZINC001358506144 983881116 /nfs/dbraw/zinc/88/11/16/983881116.db2.gz PBPVWQGPGVKMLX-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@H](CC#N)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979973 1169183885 /nfs/dbraw/zinc/18/38/85/1169183885.db2.gz FCRANKOLEJISFX-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000304224026 1169201589 /nfs/dbraw/zinc/20/15/89/1169201589.db2.gz ILUGIDDVJGDXHT-FDYHWXHSSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001253580128 1169207087 /nfs/dbraw/zinc/20/70/87/1169207087.db2.gz AALKNMUNZPCXSK-KGLIPLIRSA-N 1 0 232.327 2.156 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001254648203 1169237506 /nfs/dbraw/zinc/23/75/06/1169237506.db2.gz YRRDVZFOWBGUQA-MWLCHTKSSA-N 1 0 219.263 2.003 20 30 BEEDRO CCOCC[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC001172422445 974696481 /nfs/dbraw/zinc/69/64/81/974696481.db2.gz FBHRDTLSYXOTQP-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)F ZINC001331373775 974698694 /nfs/dbraw/zinc/69/86/94/974698694.db2.gz RSYWWXLQKNMTRR-NSHDSACASA-N 1 0 244.354 2.137 20 30 BEEDRO CCOCC[C@@H](C)[NH+]1CCC(CC#N)CC1 ZINC001172429340 974708230 /nfs/dbraw/zinc/70/82/30/974708230.db2.gz WTDHITQPCLRIOI-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CC(C)(C)CC ZINC001491468858 1169277811 /nfs/dbraw/zinc/27/78/11/1169277811.db2.gz JTQKZXASEIVQBN-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CCN(CC)CC[NH2+][C@@H](C)CCCC#N ZINC001172476889 974774634 /nfs/dbraw/zinc/77/46/34/974774634.db2.gz SGPMWAISWZLXFL-LBPRGKRZSA-N 1 0 211.353 2.000 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC001172476864 974774307 /nfs/dbraw/zinc/77/43/07/974774307.db2.gz RQNXFNLCXUKMQJ-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001116643437 1169302390 /nfs/dbraw/zinc/30/23/90/1169302390.db2.gz CXADCUDSVMVPRZ-TZMCWYRMSA-N 1 0 249.354 2.417 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](CO)C(C)(C)C ZINC001172482137 974784051 /nfs/dbraw/zinc/78/40/51/974784051.db2.gz BWZFRCNDBZHEAT-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)COCC[C@H](C)[NH2+]CCCC#N ZINC001172464788 974828204 /nfs/dbraw/zinc/82/82/04/974828204.db2.gz OQBUIMZZTZPOPI-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cncc(Cl)n1 ZINC001172489231 974835017 /nfs/dbraw/zinc/83/50/17/974835017.db2.gz PHVKOIGMWSJJGN-SECBINFHSA-N 1 0 238.722 2.302 20 30 BEEDRO CCCN[NH+]=C1CCN(C)c2ccccc21 ZINC001327843097 972757354 /nfs/dbraw/zinc/75/73/54/972757354.db2.gz NMERXSWUNOEEQQ-UHFFFAOYSA-N 1 0 217.316 2.230 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc([Si](C)(C)C)cc1 ZINC001141732534 1169392974 /nfs/dbraw/zinc/39/29/74/1169392974.db2.gz MXGVVDXMJSDLMS-UHFFFAOYSA-N 1 0 231.415 2.297 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1ccc[nH]1 ZINC001154567460 1169415807 /nfs/dbraw/zinc/41/58/07/1169415807.db2.gz VOOYUYSHUDFAKQ-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO C=C(C)CN(CC)C(=O)C1CC[NH+](CC)CC1 ZINC001146783378 973248353 /nfs/dbraw/zinc/24/83/53/973248353.db2.gz YQZPCAOAHFYZBF-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CC(C)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402199304 970768085 /nfs/dbraw/zinc/76/80/85/970768085.db2.gz JGZDVJNEISXENE-AWEZNQCLSA-N 1 0 232.327 2.179 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc(C#N)c1 ZINC000402183272 970768254 /nfs/dbraw/zinc/76/82/54/970768254.db2.gz FAAPEYMUERFZKH-HUUCEWRRSA-N 1 0 244.338 2.466 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(C#N)s1 ZINC001329066801 973462965 /nfs/dbraw/zinc/46/29/65/973462965.db2.gz JHYBLNCUQSLJSG-NSHDSACASA-N 1 0 248.351 2.138 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](C)CCC(C)C)CC1 ZINC001256370309 970781144 /nfs/dbraw/zinc/78/11/44/970781144.db2.gz HMWBQBXZPABHHZ-AWEZNQCLSA-N 1 0 222.376 2.062 20 30 BEEDRO C/C(=C\C=C\N)[NH2+]CC#Cc1ccccc1 ZINC001170427043 970788696 /nfs/dbraw/zinc/78/86/96/970788696.db2.gz BUUNOEJIEYRSBH-WEFRXHSZSA-N 1 0 212.296 2.004 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CC#Cc1ccccc1 ZINC001170427415 970791443 /nfs/dbraw/zinc/79/14/43/970791443.db2.gz QXXSQGFIGNNYMU-UHFFFAOYSA-N 1 0 227.383 2.466 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)Cc1ccccn1 ZINC001256401448 970808143 /nfs/dbraw/zinc/80/81/43/970808143.db2.gz SZEPYDZIWWUGER-TZMCWYRMSA-N 1 0 216.328 2.404 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC001256402891 970809159 /nfs/dbraw/zinc/80/91/59/970809159.db2.gz WJRPIQGUZHXHRG-UONOGXRCSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC001256402890 970810354 /nfs/dbraw/zinc/81/03/54/970810354.db2.gz WJRPIQGUZHXHRG-KGLIPLIRSA-N 1 0 241.375 2.060 20 30 BEEDRO CCC[C@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256619459 970884783 /nfs/dbraw/zinc/88/47/83/970884783.db2.gz CUAARVHNFKDLRT-WTUNAVPPSA-N 1 0 235.375 2.284 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001204825970 1169480067 /nfs/dbraw/zinc/48/00/67/1169480067.db2.gz ITMDXKRTJGMOPA-SGMGOOAPSA-N 1 0 246.358 2.005 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+]CC1(C#N)CCC1 ZINC001256716242 970932322 /nfs/dbraw/zinc/93/23/22/970932322.db2.gz NUYGLIBNXZTGCL-GFCCVEGCSA-N 1 0 229.327 2.296 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H]1C=CCCC1 ZINC001130154659 970939726 /nfs/dbraw/zinc/93/97/26/970939726.db2.gz XNGQJMLAYOCUJP-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)Cc1ccncc1 ZINC001256727628 970949984 /nfs/dbraw/zinc/94/99/84/970949984.db2.gz ZLUCNLVVKLSFFA-JSGCOSHPSA-N 1 0 216.328 2.404 20 30 BEEDRO CC[N@@H+]1CC[C@@H](OCc2ccc(C#N)cc2)C1 ZINC001205598070 1169486001 /nfs/dbraw/zinc/48/60/01/1169486001.db2.gz MJEOGVSBQAEHJA-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCC(C)(F)F ZINC001130387522 970974254 /nfs/dbraw/zinc/97/42/54/970974254.db2.gz HNQXYGGVZYIQQR-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2oncc2C#N)c1F ZINC001216220935 970989921 /nfs/dbraw/zinc/98/99/21/970989921.db2.gz XVMPGOYITHIUOZ-UHFFFAOYSA-N 1 0 246.245 2.148 20 30 BEEDRO SCC[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256786110 970987646 /nfs/dbraw/zinc/98/76/46/970987646.db2.gz NREHJEXAPHRKMB-STQMWFEESA-N 1 0 237.368 2.426 20 30 BEEDRO SCC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256786108 970988811 /nfs/dbraw/zinc/98/88/11/970988811.db2.gz NREHJEXAPHRKMB-QWHCGFSZSA-N 1 0 237.368 2.426 20 30 BEEDRO SCC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256786102 970988933 /nfs/dbraw/zinc/98/89/33/970988933.db2.gz NREHJEXAPHRKMB-CHWSQXEVSA-N 1 0 237.368 2.426 20 30 BEEDRO N#CC1(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CCC1 ZINC001256894932 971013904 /nfs/dbraw/zinc/01/39/04/971013904.db2.gz OLQJLLZIPNRLPW-CYBMUJFWSA-N 1 0 247.386 2.429 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256895706 971016202 /nfs/dbraw/zinc/01/62/02/971016202.db2.gz XGKSZQAIYOTEMI-ZDUSSCGKSA-N 1 0 234.387 2.395 20 30 BEEDRO C[C@@H](C#N)N(C)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256923841 971025983 /nfs/dbraw/zinc/02/59/83/971025983.db2.gz MMYKVJNAAKWJPB-GXTWGEPZSA-N 1 0 235.375 2.237 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cncs2)CC1 ZINC001256951054 971027185 /nfs/dbraw/zinc/02/71/85/971027185.db2.gz WEWPHSHEZGQVLU-UHFFFAOYSA-N 1 0 221.329 2.315 20 30 BEEDRO Cc1cc(C)n(CC[NH2+]C2CCC(C#N)CC2)n1 ZINC001256954282 971029977 /nfs/dbraw/zinc/02/99/77/971029977.db2.gz FPODSXGNXKVEII-UHFFFAOYSA-N 1 0 246.358 2.172 20 30 BEEDRO CC(C)(C)C(=O)C[NH2+]C1CCC(C#N)CC1 ZINC001256953995 971030194 /nfs/dbraw/zinc/03/01/94/971030194.db2.gz USZLIMADGKWFJR-UHFFFAOYSA-N 1 0 222.332 2.274 20 30 BEEDRO CC1(C)C[C@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC001256956535 971031109 /nfs/dbraw/zinc/03/11/09/971031109.db2.gz WIPNYFYRXZKIEO-HTAVTVPLSA-N 1 0 222.332 2.226 20 30 BEEDRO CC1([NH2+]C2CCC(C#N)CC2)CCOCC1 ZINC001256954264 971032534 /nfs/dbraw/zinc/03/25/34/971032534.db2.gz FIHUMRFXGGBWJI-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC001256956263 971032594 /nfs/dbraw/zinc/03/25/94/971032594.db2.gz NXAZGIOJZXWZDS-MCIGGMRASA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C[C@]1(C)O ZINC001256965201 971037742 /nfs/dbraw/zinc/03/77/42/971037742.db2.gz MVGNXEFYEZDJCP-RYSNWHEDSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]1CC(=O)CC[N@@H+]1C1CCC(C#N)CC1 ZINC001256965216 971035455 /nfs/dbraw/zinc/03/54/55/971035455.db2.gz NGDFBDWVCOOTHT-VOMCLLRMSA-N 1 0 220.316 2.122 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2C[C@@H]2C2CC2)CC1 ZINC001256964045 971038608 /nfs/dbraw/zinc/03/86/08/971038608.db2.gz ULKOAQRSYFFAMU-VYKQGROPSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CCCO1 ZINC001256965219 971039812 /nfs/dbraw/zinc/03/98/12/971039812.db2.gz NGZZSFJXXQAEKC-PNESKVBLSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(=O)C1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256969869 971041688 /nfs/dbraw/zinc/04/16/88/971041688.db2.gz QMOVHJVGVPPGIE-UHFFFAOYSA-N 1 0 234.343 2.370 20 30 BEEDRO CC[C@@]12C[C@@H](CO1)[N@@H+](C1CCC(C#N)CC1)C2 ZINC001256973314 971049847 /nfs/dbraw/zinc/04/98/47/971049847.db2.gz OPWOHRZHYMSYCO-HOAMVYINSA-N 1 0 234.343 2.322 20 30 BEEDRO C[N@H+]1C[C@H]2[C@H](C1)CCCN2C1CCC(C#N)CC1 ZINC001256970083 971050392 /nfs/dbraw/zinc/05/03/92/971050392.db2.gz SRQAZVMQMADJQL-SHWKFHJASA-N 1 0 247.386 2.095 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@H](N3CCCC3)C2)CC1 ZINC001256968617 971045255 /nfs/dbraw/zinc/04/52/55/971045255.db2.gz IZMJMRINPWOBCZ-NRXISQOPSA-N 1 0 247.386 2.239 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256970074 971045825 /nfs/dbraw/zinc/04/58/25/971045825.db2.gz SONFXYNJCGDZDD-HSBZDZAISA-N 1 0 216.328 2.414 20 30 BEEDRO N#CC1CCC([NH+]2CC3(CSC3)C2)CC1 ZINC001256971308 971050829 /nfs/dbraw/zinc/05/08/29/971050829.db2.gz FCFYELFTKNRPLK-UHFFFAOYSA-N 1 0 222.357 2.118 20 30 BEEDRO CCC1(O)CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256969793 971046869 /nfs/dbraw/zinc/04/68/69/971046869.db2.gz ORWDKFJHZWRPBD-UHFFFAOYSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CC1CCC([NH+]2CCC3(CCO3)CC2)CC1 ZINC001256970293 971049217 /nfs/dbraw/zinc/04/92/17/971049217.db2.gz XBUFGTJVOPWOJK-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO N#CC1CCC([NH+]2CCC(N3CCC3)CC2)CC1 ZINC001256971396 971051929 /nfs/dbraw/zinc/05/19/29/971051929.db2.gz PWUDGLCHHYGGQA-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO CO[C@@H](C)C1C[NH+](C2CCC(C#N)CC2)C1 ZINC001256972127 971051948 /nfs/dbraw/zinc/05/19/48/971051948.db2.gz QRTXWIZAISNHRH-ZBOXLXRLSA-N 1 0 222.332 2.035 20 30 BEEDRO C#CC(C)(C)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001256973999 971057462 /nfs/dbraw/zinc/05/74/62/971057462.db2.gz GECCQEGNKSVRBO-UHFFFAOYSA-N 1 0 237.343 2.110 20 30 BEEDRO N#CCOc1cc(F)ccc1C1=C[NH2+]CCC1 ZINC001243953034 971061026 /nfs/dbraw/zinc/06/10/26/971061026.db2.gz SMDBNWFMBMZYHO-UHFFFAOYSA-N 1 0 232.258 2.452 20 30 BEEDRO C=CCCC[NH2+][C@H]1CC[C@H](C(=O)OCC)C1 ZINC001257030232 971066762 /nfs/dbraw/zinc/06/67/62/971066762.db2.gz RKIKTPSAGRJTIX-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(C#N)c(F)c2F)CC1 ZINC001208856730 1169509652 /nfs/dbraw/zinc/50/96/52/1169509652.db2.gz IRLUUQVTLOXIQL-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C[N@H+](CCF)CCCc1ccc(C#N)cc1 ZINC001208863363 1169509937 /nfs/dbraw/zinc/50/99/37/1169509937.db2.gz BFVQNADZHVRWND-UHFFFAOYSA-N 1 0 220.291 2.392 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224706414 973876152 /nfs/dbraw/zinc/87/61/52/973876152.db2.gz JXXCIYFPDIOMGB-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257062082 971085452 /nfs/dbraw/zinc/08/54/52/971085452.db2.gz ZXIPGDZQCOVLQU-CHWSQXEVSA-N 1 0 237.343 2.392 20 30 BEEDRO C[C@@H]1CC([N@@H+]2CCC[C@H](C#N)C2)C[C@@H](C)O1 ZINC001257100357 971115442 /nfs/dbraw/zinc/11/54/42/971115442.db2.gz WXZNMGIRUQOSCU-IJLUTSLNSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H]1CC([N@@H+]2CCC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC001257100365 971115647 /nfs/dbraw/zinc/11/56/47/971115647.db2.gz WXZNMGIRUQOSCU-UTUOFQBUSA-N 1 0 222.332 2.178 20 30 BEEDRO C#C[C@@H](CCC)OCCC[NH+]1CCCC1 ZINC001224744142 973904027 /nfs/dbraw/zinc/90/40/27/973904027.db2.gz IPISOXKYQWKTMN-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000404080488 971122671 /nfs/dbraw/zinc/12/26/71/971122671.db2.gz OYYFIAKNYQKTNI-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000404080491 971122856 /nfs/dbraw/zinc/12/28/56/971122856.db2.gz OYYFIAKNYQKTNI-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[NH2+]CCNC(=O)c1ccccc1CCC ZINC001131118618 971134177 /nfs/dbraw/zinc/13/41/77/971134177.db2.gz FZYRZWFNKIWZEQ-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H](CC)CCC ZINC001257246376 971141222 /nfs/dbraw/zinc/14/12/22/971141222.db2.gz ILXRXXHNSALVCD-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C[N+](C)(C)CCO[C@H](C#N)c1cccc(F)c1 ZINC001224774654 973942120 /nfs/dbraw/zinc/94/21/20/973942120.db2.gz WEFTXNDAGMXURP-CYBMUJFWSA-N 1 0 237.298 2.113 20 30 BEEDRO C=CCN1CCC[C@H]([NH2+][C@H](CC)CCC)C1=O ZINC001257250045 971144733 /nfs/dbraw/zinc/14/47/33/971144733.db2.gz IHSBMAWOQBCCDE-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO CCC[C@@H](CC)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001257251361 971147891 /nfs/dbraw/zinc/14/78/91/971147891.db2.gz NIHYXPBGNFTZSV-GFCCVEGCSA-N 1 0 247.342 2.070 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC=CC2)C1 ZINC001086662786 971153989 /nfs/dbraw/zinc/15/39/89/971153989.db2.gz IMAYOHOZGPTNPC-GXTWGEPZSA-N 1 0 248.370 2.013 20 30 BEEDRO CCC[C@@H](CC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257257733 971157170 /nfs/dbraw/zinc/15/71/70/971157170.db2.gz VFCWRTPVMKNFPP-AXFHLTTASA-N 1 0 230.352 2.075 20 30 BEEDRO C#CCCCC[NH2+]Cc1cc(C)ns1 ZINC000404478330 971166133 /nfs/dbraw/zinc/16/61/33/971166133.db2.gz ZUEWLOXCNIAPGD-UHFFFAOYSA-N 1 0 208.330 2.345 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000307705975 971174428 /nfs/dbraw/zinc/17/44/28/971174428.db2.gz WTUSPRHOHIEHIW-LZWOXQAQSA-N 1 0 242.366 2.261 20 30 BEEDRO Cn1c[nH+]cc1Nc1c(F)cc(C#N)cc1F ZINC001211251000 1169531936 /nfs/dbraw/zinc/53/19/36/1169531936.db2.gz SYTSYDNHWBYMSQ-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170559896 971176730 /nfs/dbraw/zinc/17/67/30/971176730.db2.gz FHQFGYJJSSIYHZ-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(C#N)c(F)c1F ZINC001211251211 1169532401 /nfs/dbraw/zinc/53/24/01/1169532401.db2.gz VWRBNKYXOXOFKP-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO N#Cc1cccc2c1CN(CCC[NH2+]C1CC1)C2 ZINC000405135985 971201099 /nfs/dbraw/zinc/20/10/99/971201099.db2.gz JTCBQVLPMVTEGU-UHFFFAOYSA-N 1 0 241.338 2.016 20 30 BEEDRO C[NH+](C)CCSCC1(C#N)CCCC1 ZINC000405129645 971202106 /nfs/dbraw/zinc/20/21/06/971202106.db2.gz MPGASTOKSNMVPL-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO C#CCN1CC[NH+](C(CCC)CCC)CC1 ZINC001257340588 971252612 /nfs/dbraw/zinc/25/26/12/971252612.db2.gz KXJQGIXFEYVUSH-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131752611 971269448 /nfs/dbraw/zinc/26/94/48/971269448.db2.gz SBOHHRJYCSKTEI-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCCC[C@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001257357298 971271924 /nfs/dbraw/zinc/27/19/24/971271924.db2.gz LTLHGSCNLMQRQF-SRVKXCTJSA-N 1 0 242.363 2.171 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C ZINC000405608332 971281528 /nfs/dbraw/zinc/28/15/28/971281528.db2.gz GKOGIGYQOGVBIH-GRYCIOLGSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)/C(C)=C\C)CC[C@H]1C ZINC001131950403 971295034 /nfs/dbraw/zinc/29/50/34/971295034.db2.gz LKLQBKTZJLMJAD-RLLAQXBXSA-N 1 0 236.359 2.108 20 30 BEEDRO CCCCOC(=O)CC[C@@H](C)[NH2+][C@@H](C)CC#N ZINC001257381244 971295464 /nfs/dbraw/zinc/29/54/64/971295464.db2.gz KJBWZNWXNRHIIU-NEPJUHHUSA-N 1 0 240.347 2.390 20 30 BEEDRO CCCCOC(=O)CC[C@H](C)[NH2+]CCCC#N ZINC001257385359 971296057 /nfs/dbraw/zinc/29/60/57/971296057.db2.gz GJMICCADKGWQHG-LBPRGKRZSA-N 1 0 240.347 2.392 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)CCC(=O)OCCCC ZINC001257387713 971296248 /nfs/dbraw/zinc/29/62/48/971296248.db2.gz IHPAAMUJFWNTTC-LBPRGKRZSA-N 1 0 239.359 2.500 20 30 BEEDRO CC#CC[C@H](CC)OC1CC[NH+](C)CC1 ZINC001222509256 972535144 /nfs/dbraw/zinc/53/51/44/972535144.db2.gz JXMJXCDSWRZJFB-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)CCC(=O)OCCCC ZINC001257402863 971300404 /nfs/dbraw/zinc/30/04/04/971300404.db2.gz QLZKOXPLFIBOTI-AWEZNQCLSA-N 1 0 249.354 2.067 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCCF)C1 ZINC001257426899 971332148 /nfs/dbraw/zinc/33/21/48/971332148.db2.gz ARZLHUSFICQDAC-NSHDSACASA-N 1 0 201.285 2.013 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001257428953 971332819 /nfs/dbraw/zinc/33/28/19/971332819.db2.gz GMOOJLPHSCULQQ-SECBINFHSA-N 1 0 201.273 2.062 20 30 BEEDRO CC[C@@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC001257432325 971339730 /nfs/dbraw/zinc/33/97/30/971339730.db2.gz WGEPWIUHBRCBSS-LLVKDONJSA-N 1 0 218.300 2.325 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(OCC#N)cc1 ZINC001212605984 971349444 /nfs/dbraw/zinc/34/94/44/971349444.db2.gz GMINQZQQBKQWDM-UHFFFAOYSA-N 1 0 228.255 2.066 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC(C)=C(C)C ZINC001132463194 971361429 /nfs/dbraw/zinc/36/14/29/971361429.db2.gz MKHMOZHQPFKVKZ-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@@H](C)CC)C1 ZINC001257448522 971367014 /nfs/dbraw/zinc/36/70/14/971367014.db2.gz UITHURJZJSHSIM-RYUDHWBXSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)CC)CC[C@@H]1C ZINC001132570670 971380302 /nfs/dbraw/zinc/38/03/02/971380302.db2.gz AHQBZCIHYRSFGT-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1CCC1(C)C ZINC001132638544 971393046 /nfs/dbraw/zinc/39/30/46/971393046.db2.gz DUCOYUZVZPPIGJ-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132653538 971396227 /nfs/dbraw/zinc/39/62/27/971396227.db2.gz OENAXYFSOXOIMU-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CCC1CC1 ZINC001132654073 971397544 /nfs/dbraw/zinc/39/75/44/971397544.db2.gz YGWYHQLGGSYEIJ-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@](C)(CC)Nc1nc(N(C)CC)cc(C)[nH+]1 ZINC001158736702 971418724 /nfs/dbraw/zinc/41/87/24/971418724.db2.gz LLOXILYGAWNTCV-CQSZACIVSA-N 1 0 246.358 2.455 20 30 BEEDRO C=CCOc1ccccc1CO[C@H]1CC[NH2+]C1 ZINC001217823915 971419987 /nfs/dbraw/zinc/41/99/87/971419987.db2.gz HOZVMRDFXRHQFY-ZDUSSCGKSA-N 1 0 233.311 2.130 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1OCCc1ccccc1C ZINC001217833294 971425601 /nfs/dbraw/zinc/42/56/01/971425601.db2.gz UHRSDSQCYFHRMC-OAHLLOKOSA-N 1 0 231.339 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1OCC1CC(C)(C)C1 ZINC001217833575 971426049 /nfs/dbraw/zinc/42/60/49/971426049.db2.gz XLWUWXXORUYSIA-GFCCVEGCSA-N 1 0 209.333 2.357 20 30 BEEDRO C#C[C@H](CCCCC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217835113 971430852 /nfs/dbraw/zinc/43/08/52/971430852.db2.gz JIBHIGUTUYUPDN-CHWSQXEVSA-N 1 0 239.359 2.310 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170658386 971456049 /nfs/dbraw/zinc/45/60/49/971456049.db2.gz JBNKVTCMRZJNSU-LLVKDONJSA-N 1 0 221.250 2.045 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CCC(=C)C ZINC001133143262 971464025 /nfs/dbraw/zinc/46/40/25/971464025.db2.gz SWSBSBFNRJNKTO-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO CC(C)(S)C[NH2+][C@@H]1CCCSC1 ZINC001257663140 971464006 /nfs/dbraw/zinc/46/40/06/971464006.db2.gz UKWGYLAPQYUZRI-MRVPVSSYSA-N 1 0 205.392 2.180 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CC/C=C/CC ZINC001133143564 971464388 /nfs/dbraw/zinc/46/43/88/971464388.db2.gz ZKUADMUFGLGCRL-FNORWQNLSA-N 1 0 238.375 2.405 20 30 BEEDRO SC1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257676698 971476106 /nfs/dbraw/zinc/47/61/06/971476106.db2.gz LRTASYVYERSVCT-SECBINFHSA-N 1 0 217.403 2.276 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001257677278 971481966 /nfs/dbraw/zinc/48/19/66/971481966.db2.gz VOZKUJCUNMEXMP-NWDGAFQWSA-N 1 0 209.358 2.227 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170674583 971482164 /nfs/dbraw/zinc/48/21/64/971482164.db2.gz QHJUXASEIMVCOF-SKDRFNHKSA-N 1 0 235.277 2.433 20 30 BEEDRO C=C[C@@]1(C)CC[C@H](OCCC[NH3+])C(C)(C)O1 ZINC001217894062 971492446 /nfs/dbraw/zinc/49/24/46/971492446.db2.gz AGIDBEALYDUUNI-AAEUAGOBSA-N 1 0 227.348 2.254 20 30 BEEDRO COC(=O)C1CCC([NH2+]CC(C)(C)S)CC1 ZINC001257857648 971503546 /nfs/dbraw/zinc/50/35/46/971503546.db2.gz SRODWVBENOCXLU-UHFFFAOYSA-N 1 0 245.388 2.016 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC ZINC001133418592 971515695 /nfs/dbraw/zinc/51/56/95/971515695.db2.gz LPDYIHSBBFQGLX-ZJUUUORDSA-N 1 0 232.755 2.022 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]1CC ZINC001133426040 971521737 /nfs/dbraw/zinc/52/17/37/971521737.db2.gz MTDXFGONVPFAOH-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1C[C@@H]2CC(n3cnc(CN)n3)C[C@H](C1)C2 ZINC001257888378 971523517 /nfs/dbraw/zinc/52/35/17/971523517.db2.gz JDVUCMBKCGYEAF-FOSCPWQOSA-N 1 0 232.331 2.044 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](O)CF)C[C@H](C1)C2 ZINC001257889494 971524612 /nfs/dbraw/zinc/52/46/12/971524612.db2.gz BMZBKMBPRGTWEO-HNGCFSAESA-N 1 0 227.323 2.041 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](CO)C3)C[C@H](C1)C2 ZINC001257893276 971526972 /nfs/dbraw/zinc/52/69/72/971526972.db2.gz PNXQSTBHLVMJDO-JKXDFHQYSA-N 1 0 235.371 2.436 20 30 BEEDRO N#C[C@H](OC[C@@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001217928805 971531806 /nfs/dbraw/zinc/53/18/06/971531806.db2.gz HSGTYYDVUXMHRV-RISCZKNCSA-N 1 0 248.301 2.407 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC1 ZINC001133447899 971532185 /nfs/dbraw/zinc/53/21/85/971532185.db2.gz HMQDJJJZPYXCMJ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO N#C[C@H](OC[C@H]1CCC[NH2+]C1)c1cccc(F)c1 ZINC001217928803 971533002 /nfs/dbraw/zinc/53/30/02/971533002.db2.gz HSGTYYDVUXMHRV-FZMZJTMJSA-N 1 0 248.301 2.407 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257900317 971533414 /nfs/dbraw/zinc/53/34/14/971533414.db2.gz UZZJAQSTPUVDCO-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C[NH2+][C@H]1C[C@H](Oc2cc(C)c(C#N)cc2C)C1 ZINC001217953928 971542907 /nfs/dbraw/zinc/54/29/07/971542907.db2.gz MHLPADNINBDRLF-JOCQHMNTSA-N 1 0 230.311 2.304 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@@H]2F)c(C)cc1C#N ZINC001217958236 971544959 /nfs/dbraw/zinc/54/49/59/971544959.db2.gz AXWGGNVNJWCZMY-JSGCOSHPSA-N 1 0 248.301 2.254 20 30 BEEDRO SCC[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257943906 971545618 /nfs/dbraw/zinc/54/56/18/971545618.db2.gz FBNAFRYRBCOLLE-SNVBAGLBSA-N 1 0 243.759 2.163 20 30 BEEDRO Cc1cc(O[C@@H]2CCC[NH2+]C2)c(C)cc1C#N ZINC001217961735 971546746 /nfs/dbraw/zinc/54/67/46/971546746.db2.gz JQQHNJAXLRJGEF-CYBMUJFWSA-N 1 0 230.311 2.306 20 30 BEEDRO C=CCc1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217959748 971546885 /nfs/dbraw/zinc/54/68/85/971546885.db2.gz PWRVVGYTFXQYNR-KBPBESRZSA-N 1 0 235.302 2.494 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC ZINC001133502485 971548641 /nfs/dbraw/zinc/54/86/41/971548641.db2.gz FWGREHNIVNIYQE-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCc1ccccc1O[C@H]1C[NH2+]C[C@H]1C ZINC001217965619 971550110 /nfs/dbraw/zinc/55/01/10/971550110.db2.gz QVUZAJSRGNATEE-RISCZKNCSA-N 1 0 217.312 2.402 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CCC(C#N)CC2)CC1 ZINC001258012588 971554049 /nfs/dbraw/zinc/55/40/49/971554049.db2.gz ZYJVYPNQSQKHKG-UHFFFAOYSA-N 1 0 249.402 2.342 20 30 BEEDRO Cc1cc(C#N)cc(O[C@H]2CCCC[NH2+]C2)c1 ZINC001217970478 971556020 /nfs/dbraw/zinc/55/60/20/971556020.db2.gz GRQCJEZAGIFSGQ-ZDUSSCGKSA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CCC[C@H](C#N)C2)CC1 ZINC001258017161 971557294 /nfs/dbraw/zinc/55/72/94/971557294.db2.gz UNGDOGRHBJNENM-CQSZACIVSA-N 1 0 249.402 2.342 20 30 BEEDRO Cc1cc(C#N)ccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217979466 971559775 /nfs/dbraw/zinc/55/97/75/971559775.db2.gz HKOQSJXNPVOVLQ-TZMCWYRMSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cccc(C#N)c1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217981375 971559900 /nfs/dbraw/zinc/55/99/00/971559900.db2.gz PIZKKNTYJWMELD-CHWSQXEVSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC001258043940 971563614 /nfs/dbraw/zinc/56/36/14/971563614.db2.gz VLSQFRHOORTTTJ-NWDGAFQWSA-N 1 0 242.363 2.433 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC ZINC001133555934 971561952 /nfs/dbraw/zinc/56/19/52/971561952.db2.gz QYUHRPZENDYUGX-WDEREUQCSA-N 1 0 246.782 2.412 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001133529756 971564116 /nfs/dbraw/zinc/56/41/16/971564116.db2.gz WFDMZVFJKFIVJF-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C=C(C)C ZINC001133585121 971572947 /nfs/dbraw/zinc/57/29/47/971572947.db2.gz CDQFBLOWGYUXPF-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCc1ccccc1O[C@@H]1C[NH2+]C[C@H]1C ZINC001218036001 971581045 /nfs/dbraw/zinc/58/10/45/971581045.db2.gz QVUZAJSRGNATEE-BXUZGUMPSA-N 1 0 217.312 2.402 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC ZINC001133707902 971592863 /nfs/dbraw/zinc/59/28/63/971592863.db2.gz MUUOCAZUCLWHIW-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133764735 971597525 /nfs/dbraw/zinc/59/75/25/971597525.db2.gz KXRMSMQVBZQNPG-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OC1CC[NH+](C)CC1 ZINC001222509263 972536115 /nfs/dbraw/zinc/53/61/15/972536115.db2.gz KCVSIZCTXMZXIK-GFCCVEGCSA-N 1 0 239.435 2.367 20 30 BEEDRO C=CCc1ccccc1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218148464 971607823 /nfs/dbraw/zinc/60/78/23/971607823.db2.gz YIXCQDKLYCQVSA-NHAGDIPZSA-N 1 0 229.323 2.402 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001133888596 971614539 /nfs/dbraw/zinc/61/45/39/971614539.db2.gz KPMBTFRLMURFOH-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccncc1 ZINC000747871553 971614264 /nfs/dbraw/zinc/61/42/64/971614264.db2.gz JRYXDTWHHYTZRK-XBFCOCLRSA-N 1 0 232.327 2.466 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001133888824 971616546 /nfs/dbraw/zinc/61/65/46/971616546.db2.gz NBZNGRGXSJNUBC-VXGBXAGGSA-N 1 0 226.364 2.234 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C#N)c(C)c1C ZINC001218204320 971627613 /nfs/dbraw/zinc/62/76/13/971627613.db2.gz PNUOBIKFRFPCKQ-HNNXBMFYSA-N 1 0 242.322 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc(OCC)c1 ZINC001218209421 971630172 /nfs/dbraw/zinc/63/01/72/971630172.db2.gz YCPAVCZPMSQUCL-CQSZACIVSA-N 1 0 233.311 2.382 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C/C ZINC001134047747 971653615 /nfs/dbraw/zinc/65/36/15/971653615.db2.gz RFPGCJWGVYPSAA-PGJRDNSLSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C/C ZINC001134048082 971654063 /nfs/dbraw/zinc/65/40/63/971654063.db2.gz WDWDKJKRAFZYEU-SXSOHVCJSA-N 1 0 224.348 2.012 20 30 BEEDRO CC(C)c1ccc(C#N)c(O[C@@H]2CCC[NH2+]C2)n1 ZINC001218279214 971669320 /nfs/dbraw/zinc/66/93/20/971669320.db2.gz NRROGTKUJZCWPZ-GFCCVEGCSA-N 1 0 245.326 2.207 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(F)=C(C)C ZINC001134077732 971664172 /nfs/dbraw/zinc/66/41/72/971664172.db2.gz UPDOHGGQJDRUGW-MNOVXSKESA-N 1 0 242.338 2.309 20 30 BEEDRO N#Cc1ccc(Cl)c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001218284076 971676715 /nfs/dbraw/zinc/67/67/15/971676715.db2.gz QMSMGLWSVKJCOV-SNVBAGLBSA-N 1 0 236.702 2.342 20 30 BEEDRO N#Cc1cccc(Cl)c1O[C@@H]1CCC[NH2+]C1 ZINC001218285175 971680181 /nfs/dbraw/zinc/68/01/81/971680181.db2.gz DODZCOGBSBYQKV-SNVBAGLBSA-N 1 0 236.702 2.342 20 30 BEEDRO C=C[C@H](CC)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001218290049 971685810 /nfs/dbraw/zinc/68/58/10/971685810.db2.gz DFFZYKMOAAOTDL-CQSZACIVSA-N 1 0 246.354 2.440 20 30 BEEDRO COC1(C[N@H+](CCC#N)C(C)C)CCC1 ZINC001330600286 974349018 /nfs/dbraw/zinc/34/90/18/974349018.db2.gz FBUVGUKUDGXSFZ-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@H](C)CC(C)(C)C ZINC001134255300 971690814 /nfs/dbraw/zinc/69/08/14/971690814.db2.gz VGLPNWJYWUHEQK-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@@H](C)CC(C)(C)C ZINC001134255299 971691560 /nfs/dbraw/zinc/69/15/60/971691560.db2.gz VGLPNWJYWUHEQK-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2cccc(C#N)c2Cl)C1 ZINC001229066756 1169648856 /nfs/dbraw/zinc/64/88/56/1169648856.db2.gz DWXYZEATWBTSNM-SNVBAGLBSA-N 1 0 236.702 2.295 20 30 BEEDRO N#CCCCCNc1cc[nH+]c(CC#N)c1 ZINC000309649272 971719942 /nfs/dbraw/zinc/71/99/42/971719942.db2.gz SAQBZWXLXSBRMQ-UHFFFAOYSA-N 1 0 214.272 2.253 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001134427366 971723086 /nfs/dbraw/zinc/72/30/86/971723086.db2.gz OKHTYFFEJFMCDM-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(C)CC1 ZINC001134434823 971725541 /nfs/dbraw/zinc/72/55/41/971725541.db2.gz KFRBVYPBYFRGEZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)C(C)C ZINC001134643798 971750454 /nfs/dbraw/zinc/75/04/54/971750454.db2.gz FPYQQAODBCSWEU-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc2cc(C#N)ccc2c1 ZINC001218382245 971761793 /nfs/dbraw/zinc/76/17/93/971761793.db2.gz IVLXQMXKIJIYPI-BMIGLBTASA-N 1 0 238.290 2.451 20 30 BEEDRO C=CCc1cccc(O[C@H]2C[NH2+][C@H]2C)c1 ZINC001218384014 971761936 /nfs/dbraw/zinc/76/19/36/971761936.db2.gz BQGOYVNQWGGKTK-GWCFXTLKSA-N 1 0 203.285 2.154 20 30 BEEDRO C=C(C)c1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1 ZINC001218388562 971767794 /nfs/dbraw/zinc/76/77/94/971767794.db2.gz SGQXURVSOKNUJZ-ZWNOBZJWSA-N 1 0 203.285 2.459 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135181815 971843880 /nfs/dbraw/zinc/84/38/80/971843880.db2.gz VKKSASNPAHAKMQ-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[NH2+]CCS ZINC001172323004 974532874 /nfs/dbraw/zinc/53/28/74/974532874.db2.gz ZXYNOUDDTJVKGT-UWVGGRQHSA-N 1 0 205.367 2.100 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](C)[C@H](C)C(C)(C)C ZINC001135178460 971844501 /nfs/dbraw/zinc/84/45/01/971844501.db2.gz VVOCPLCNALYRMR-NEPJUHHUSA-N 1 0 240.391 2.197 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135181813 971844925 /nfs/dbraw/zinc/84/49/25/971844925.db2.gz VKKSASNPAHAKMQ-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001231657934 1169675856 /nfs/dbraw/zinc/67/58/56/1169675856.db2.gz ORSWEYOISLFZMK-MRXNPFEDSA-N 1 0 241.334 2.423 20 30 BEEDRO CC#CCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001135230914 971854008 /nfs/dbraw/zinc/85/40/08/971854008.db2.gz TWGLUDBYVTYPEA-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)c2ccc(C)cc2)CC1 ZINC000830326147 971862883 /nfs/dbraw/zinc/86/28/83/971862883.db2.gz DHIYIIYYMQAJFA-INIZCTEOSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000830326334 971865341 /nfs/dbraw/zinc/86/53/41/971865341.db2.gz KTAYYCOZWWEJNG-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001231660650 1169680321 /nfs/dbraw/zinc/68/03/21/1169680321.db2.gz JHMBYVRILBZUEG-HNNXBMFYSA-N 1 0 227.307 2.033 20 30 BEEDRO C=CCC(C)(C)C(=O)Nc1cccnc1C[NH3+] ZINC001144075245 972544750 /nfs/dbraw/zinc/54/47/50/972544750.db2.gz JPSGZKQJOUCPAH-UHFFFAOYSA-N 1 0 233.315 2.081 20 30 BEEDRO C=CCN(CC=C)C(=O)C1([NH+](C)C)CCCC1 ZINC001135409038 971884925 /nfs/dbraw/zinc/88/49/25/971884925.db2.gz OFVPBSIOIKQKGX-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)s1 ZINC001232845732 1169684822 /nfs/dbraw/zinc/68/48/22/1169684822.db2.gz NLBZZCGUSCRHRH-CYBMUJFWSA-N 1 0 248.351 2.375 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)(F)F ZINC001135402591 971890705 /nfs/dbraw/zinc/89/07/05/971890705.db2.gz OPZDRIQZGWSEHS-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000309957055 971896612 /nfs/dbraw/zinc/89/66/12/971896612.db2.gz SZJMDYJUOFWFEG-GOEBONIOSA-N 1 0 242.366 2.262 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CCCCC(C)C ZINC001135501392 971903818 /nfs/dbraw/zinc/90/38/18/971903818.db2.gz RLZAESABIAXSNE-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCC(C)(C)C ZINC001135536881 971913630 /nfs/dbraw/zinc/91/36/30/971913630.db2.gz ATUOQWBZJCWYSF-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\CC ZINC001276801489 971975238 /nfs/dbraw/zinc/97/52/38/971975238.db2.gz PWTJKTQEIQLAFN-FFXRNRBCSA-N 1 0 236.359 2.109 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCCOCC2)ccc1F ZINC000311052988 971988882 /nfs/dbraw/zinc/98/88/82/971988882.db2.gz HCCWEJKZUVURCD-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001136101114 972032486 /nfs/dbraw/zinc/03/24/86/972032486.db2.gz YBHYIRLXRSOEMP-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccc2c(C#N)c[nH]c2c1 ZINC001170890608 972041460 /nfs/dbraw/zinc/04/14/60/972041460.db2.gz DTFQEDYSBDYRNS-SECBINFHSA-N 1 0 228.299 2.189 20 30 BEEDRO Cc1cccc(NCC[C@@H](C)[NH3+])c1C#N ZINC001170890521 972043377 /nfs/dbraw/zinc/04/33/77/972043377.db2.gz BBHGOFBXIXKAEP-SNVBAGLBSA-N 1 0 203.289 2.016 20 30 BEEDRO C#CCN1CC[NH+](Cc2ccc(C)c(C)c2)CC1 ZINC000191011408 972077221 /nfs/dbraw/zinc/07/72/21/972077221.db2.gz YZCRYSVNCOYOFQ-UHFFFAOYSA-N 1 0 242.366 2.054 20 30 BEEDRO SCCCNc1cc2[nH]ccc2c[nH+]1 ZINC001159869659 972159654 /nfs/dbraw/zinc/15/96/54/972159654.db2.gz AJMKAIVXMQXUPD-UHFFFAOYSA-N 1 0 207.302 2.295 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170960790 972166535 /nfs/dbraw/zinc/16/65/35/972166535.db2.gz HNZGJZXIRHTQJJ-GFCCVEGCSA-N 1 0 217.287 2.296 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C3(C)CNC3)C[C@H](C1)C2 ZINC001246121816 972184856 /nfs/dbraw/zinc/18/48/56/972184856.db2.gz CLJYVTQQACWZFZ-FUNVUKJBSA-N 1 0 220.360 2.073 20 30 BEEDRO SCCCNc1ccc2c(c1)C[NH2+]C2 ZINC001171002050 972227475 /nfs/dbraw/zinc/22/74/75/972227475.db2.gz DOUBXHFBYLXDRJ-UHFFFAOYSA-N 1 0 208.330 2.022 20 30 BEEDRO Fc1cc2nc[nH]c2cc1NCCCS ZINC001171003052 972229121 /nfs/dbraw/zinc/22/91/21/972229121.db2.gz HEIACRQDSSWVPQ-UHFFFAOYSA-N 1 0 225.292 2.434 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](O)C[C@H]1C ZINC000705269112 957026307 /nfs/dbraw/zinc/02/63/07/957026307.db2.gz WUVXPMVKLRGPHW-DOMZBBRYSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CCOCC[N@@H+](C)C/C=C\c1ccccc1 ZINC001345030097 957031653 /nfs/dbraw/zinc/03/16/53/957031653.db2.gz NCMJPWWJBYOTKS-YFHOEESVSA-N 1 0 229.323 2.281 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2c(Cl)cccc2C1 ZINC001171014104 972242874 /nfs/dbraw/zinc/24/28/74/972242874.db2.gz SVLODESJSKSNNB-LLVKDONJSA-N 1 0 219.715 2.420 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)c1cc[nH]c1 ZINC001480867599 957123941 /nfs/dbraw/zinc/12/39/41/957123941.db2.gz OXTFMPNIDDVORQ-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)/C=C(\C)CC)C1 ZINC001266318032 957211063 /nfs/dbraw/zinc/21/10/63/957211063.db2.gz XUSAYIXLSNPZKP-YQCJOKCJSA-N 1 0 236.359 2.109 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)c(F)cc2C#N)CC1 ZINC001208911116 957235544 /nfs/dbraw/zinc/23/55/44/957235544.db2.gz XUYIOWZJLYRSEH-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](Oc2ncncc2C)C1 ZINC001209164333 957340915 /nfs/dbraw/zinc/34/09/15/957340915.db2.gz BBSQLDHGBJZLPM-CYBMUJFWSA-N 1 0 247.342 2.204 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001209200179 957351306 /nfs/dbraw/zinc/35/13/06/957351306.db2.gz DELAJJUIDJEIHI-RYUDHWBXSA-N 1 0 233.302 2.087 20 30 BEEDRO C#CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209265904 957369304 /nfs/dbraw/zinc/36/93/04/957369304.db2.gz CVDAIQZREWLHCC-XYYAHUGASA-N 1 0 202.301 2.166 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1CCOC ZINC001209265702 957370060 /nfs/dbraw/zinc/37/00/60/957370060.db2.gz DOUCFKLIOZSJII-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCC[N@@H+](CCCC)CC(=O)OCC ZINC001209269834 957381854 /nfs/dbraw/zinc/38/18/54/957381854.db2.gz QLFUZVNVCFSLFZ-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=C(C)CC[N@@H+](CC)CCNC(=O)CCC ZINC001266371644 957398765 /nfs/dbraw/zinc/39/87/65/957398765.db2.gz FLVNQLPINADZIQ-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)CC1CCC1 ZINC001266383241 957416691 /nfs/dbraw/zinc/41/66/91/957416691.db2.gz JNXPKJRQGMBBJP-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[N@@H+]1CC[C@H](Nc2cccc3[nH]c(C#N)cc32)C1 ZINC001167278773 957627024 /nfs/dbraw/zinc/62/70/24/957627024.db2.gz RGAWSJBTSBLTJK-JTQLQIEISA-N 1 0 240.310 2.156 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](CNC(=O)C(C)C)C1 ZINC001266500674 957647664 /nfs/dbraw/zinc/64/76/64/957647664.db2.gz VCMCGEPPSZTHOE-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO N#Cc1ncccc1Nc1cc[nH+]c2c1CCC2 ZINC001210141949 957649118 /nfs/dbraw/zinc/64/91/18/957649118.db2.gz KIFZKGSAGCVCSC-UHFFFAOYSA-N 1 0 236.278 2.002 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1cnc(C#N)c(C)c1 ZINC001210202681 957669006 /nfs/dbraw/zinc/66/90/06/957669006.db2.gz ZLNGZXVOZSEEOA-UHFFFAOYSA-N 1 0 227.271 2.047 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001266508664 957671348 /nfs/dbraw/zinc/67/13/48/957671348.db2.gz GQLLPOODCPHHCH-WONIAPNHSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000693107770 957679774 /nfs/dbraw/zinc/67/97/74/957679774.db2.gz XYQWZYOKTDDDCY-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CC(=O)N(C)OC ZINC000397533904 957682636 /nfs/dbraw/zinc/68/26/36/957682636.db2.gz OHJCSBZPFLOBHB-LBPRGKRZSA-N 1 0 244.379 2.345 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001266515163 957709945 /nfs/dbraw/zinc/70/99/45/957709945.db2.gz OYENAKFXLQTQIK-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001266522353 957730399 /nfs/dbraw/zinc/73/03/99/957730399.db2.gz KNCOSRVPQRHDPO-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[N@@H+](CCO)C1CCCCC1 ZINC000049856371 957771239 /nfs/dbraw/zinc/77/12/39/957771239.db2.gz NSGXXQPPLBZVKG-UHFFFAOYSA-N 1 0 217.740 2.366 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2c1OCC2 ZINC000693173842 957791301 /nfs/dbraw/zinc/79/13/01/957791301.db2.gz JZSKEYCELHNQLZ-ZDUSSCGKSA-N 1 0 215.296 2.123 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc2c1OCC2 ZINC000693173840 957792793 /nfs/dbraw/zinc/79/27/93/957792793.db2.gz JZSKEYCELHNQLZ-CYBMUJFWSA-N 1 0 215.296 2.123 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]CC1CC1 ZINC001167363160 957900259 /nfs/dbraw/zinc/90/02/59/957900259.db2.gz OQTZKGRULNBDDS-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C#Cc1ccc(NC2CC[NH+](CCC)CC2)nc1 ZINC001347867353 958181450 /nfs/dbraw/zinc/18/14/50/958181450.db2.gz SBOLPLSVBTXYBZ-UHFFFAOYSA-N 1 0 243.354 2.349 20 30 BEEDRO C=CC[C@@H](NC(=O)CC[NH2+]C)c1ccccc1 ZINC001221359974 972327306 /nfs/dbraw/zinc/32/73/06/972327306.db2.gz CDQFEMCYAIYPLW-CYBMUJFWSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](CNC(=O)C=C2CCC2)C1 ZINC001266746021 958337610 /nfs/dbraw/zinc/33/76/10/958337610.db2.gz BFMKFHJZBJSJLH-CQSZACIVSA-N 1 0 248.370 2.111 20 30 BEEDRO C#CCC1([NH2+]CCOCCCC)CCC1 ZINC000933300781 958353072 /nfs/dbraw/zinc/35/30/72/958353072.db2.gz DKRIDOWQSYTXFV-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CC[N@@H+](C)Cc1cn(C)c2ccccc12 ZINC000196483973 972348151 /nfs/dbraw/zinc/34/81/51/972348151.db2.gz AQQZTAFAEPFJKU-UHFFFAOYSA-N 1 0 212.296 2.243 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCCc2cccnc21 ZINC001326995528 972358018 /nfs/dbraw/zinc/35/80/18/972358018.db2.gz DPMSDGYOZUVGJZ-OLZOCXBDSA-N 1 0 232.327 2.250 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000692345195 958617510 /nfs/dbraw/zinc/61/75/10/958617510.db2.gz UDTCMSCYYNPTKO-LLVKDONJSA-N 1 0 232.302 2.253 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@@H](CO)C3)C[C@H](C1)C2 ZINC000707632997 958639267 /nfs/dbraw/zinc/63/92/67/958639267.db2.gz OEJSISPVPAVCMM-BLOWRENCSA-N 1 0 235.371 2.482 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)C[Si](C)(C)c1ccccc1 ZINC001327013344 972365633 /nfs/dbraw/zinc/36/56/33/972365633.db2.gz QYUJBKHYYAPMOL-CYBMUJFWSA-N 1 0 246.430 2.233 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C1(CC)CC1 ZINC001266971323 958683596 /nfs/dbraw/zinc/68/35/96/958683596.db2.gz UNWASVIGMVLMSM-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@@H](CCC)C(C)C ZINC001266975087 958688628 /nfs/dbraw/zinc/68/86/28/958688628.db2.gz JYLDOWNHZOFADA-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO Cc1c(N)cc[nH+]c1-c1ccc(O)c(C#N)c1 ZINC001242563181 1169757106 /nfs/dbraw/zinc/75/71/06/1169757106.db2.gz URAKCKXNDWUNFX-UHFFFAOYSA-N 1 0 225.251 2.217 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000724154619 958744241 /nfs/dbraw/zinc/74/42/41/958744241.db2.gz CQLYFZZJWVZGJH-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO N#Cc1cc(-c2ccc(C[NH3+])cc2)ccc1O ZINC001242563201 1169757313 /nfs/dbraw/zinc/75/73/13/1169757313.db2.gz BEOUWEBPOMBHAA-UHFFFAOYSA-N 1 0 224.263 2.390 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001267020683 958759128 /nfs/dbraw/zinc/75/91/28/958759128.db2.gz JZIJHUCYXVZOSJ-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001267021666 958760537 /nfs/dbraw/zinc/76/05/37/958760537.db2.gz QHLUZTZIDOWBOX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C#N)nc2)C1 ZINC001140545919 958846656 /nfs/dbraw/zinc/84/66/56/958846656.db2.gz PUARKJUSCNWYQN-TXEJJXNPSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)CC ZINC001267119368 958901009 /nfs/dbraw/zinc/90/10/09/958901009.db2.gz DESKPDBXGIWDKN-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)/C(C)=C/CC ZINC001267123068 958911100 /nfs/dbraw/zinc/91/11/00/958911100.db2.gz TUTFCMIBNPWXTO-VNKGSWCUSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)C1(C)CCC1 ZINC001267141135 958949647 /nfs/dbraw/zinc/94/96/47/958949647.db2.gz WKSXBAAFCNKQQG-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H](F)C(C)C ZINC001267138992 958947462 /nfs/dbraw/zinc/94/74/62/958947462.db2.gz DPMBIJNTQJRQQT-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001267144194 958952459 /nfs/dbraw/zinc/95/24/59/958952459.db2.gz UMWCEWVMAXFZDU-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](NC(C)=O)CC1 ZINC001327093373 972399963 /nfs/dbraw/zinc/39/99/63/972399963.db2.gz BZEPMFHINQEIJU-TZMCWYRMSA-N 1 0 238.375 2.332 20 30 BEEDRO N#C[C@H]1CC=C(c2ccc(C[NH3+])nc2)CC1 ZINC001243793488 1169763719 /nfs/dbraw/zinc/76/37/19/1169763719.db2.gz BWLGGTGHWVTLOM-JTQLQIEISA-N 1 0 213.284 2.247 20 30 BEEDRO N#Cc1ccccc1CNc1cccc(C[NH3+])n1 ZINC001167634822 959155955 /nfs/dbraw/zinc/15/59/55/959155955.db2.gz WWNBAJKUIRLIOH-UHFFFAOYSA-N 1 0 238.294 2.024 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1=CCCC1 ZINC001125638500 959168295 /nfs/dbraw/zinc/16/82/95/959168295.db2.gz OTRYOGAHWKLODZ-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ncccc1C)C(C)C ZINC000300894384 959204853 /nfs/dbraw/zinc/20/48/53/959204853.db2.gz KEHMMDUNWOQMKD-GFCCVEGCSA-N 1 0 202.301 2.137 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)CCC1(C)CC1 ZINC001267225184 959231830 /nfs/dbraw/zinc/23/18/30/959231830.db2.gz QEQFIEKOYJKMOZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)Cc1cccs1 ZINC000717741802 959324562 /nfs/dbraw/zinc/32/45/62/959324562.db2.gz ZFPUUMUTZSKDTK-RYUDHWBXSA-N 1 0 237.368 2.043 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCSC(C)C)C1 ZINC001327123854 972426081 /nfs/dbraw/zinc/42/60/81/972426081.db2.gz LGVBZTNBVIRUSY-GFCCVEGCSA-N 1 0 229.389 2.405 20 30 BEEDRO N#Cc1ccc(-c2cccc(C[NH3+])c2)c(N)c1 ZINC001244084404 1169767544 /nfs/dbraw/zinc/76/75/44/1169767544.db2.gz MVIPGZSSTIOHHQ-UHFFFAOYSA-N 1 0 223.279 2.266 20 30 BEEDRO C=CCC[NH+]1CCC(CNC(=O)CCC)CC1 ZINC001222263979 972433105 /nfs/dbraw/zinc/43/31/05/972433105.db2.gz SBLJCYAOBSLRRH-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCn1cc(-c2cccc(C[NH+](C)C)n2)cn1 ZINC001222382787 972449108 /nfs/dbraw/zinc/44/91/08/972449108.db2.gz PUDCQRDBEWGNRF-UHFFFAOYSA-N 1 0 242.326 2.193 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@H]1CCCC[NH2+]C1 ZINC001217975867 959809929 /nfs/dbraw/zinc/80/99/29/959809929.db2.gz UWCMFWZSOCHUSX-JASJWYONSA-N 1 0 248.326 2.406 20 30 BEEDRO C=CCn1cc(-c2ccc(CC[NH3+])cc2)cn1 ZINC001222405460 972463614 /nfs/dbraw/zinc/46/36/14/972463614.db2.gz LKKMXHZAFAEWTK-UHFFFAOYSA-N 1 0 227.311 2.237 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000694572628 959922584 /nfs/dbraw/zinc/92/25/84/959922584.db2.gz WLRZHOIXYARPIC-JTQLQIEISA-N 1 0 214.259 2.267 20 30 BEEDRO C=CC[N@H+](CCNC(=O)[C@@H]1CC=CCC1)C1CC1 ZINC001493349064 959956956 /nfs/dbraw/zinc/95/69/56/959956956.db2.gz POZNRGPDHSVMLW-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H](OC)C1CCCCC1 ZINC000695069757 960083136 /nfs/dbraw/zinc/08/31/36/960083136.db2.gz CYPNGXJKDMYALV-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccnc1N(C)C ZINC000309723947 960088338 /nfs/dbraw/zinc/08/83/38/960088338.db2.gz CQDRTVOXEMJGRK-LLVKDONJSA-N 1 0 219.332 2.202 20 30 BEEDRO CCC(C)(C)[C@H](C)[NH2+]CCO[C@H](C)C#N ZINC000695104692 960102614 /nfs/dbraw/zinc/10/26/14/960102614.db2.gz CDSBVAOLVVXUQU-MNOVXSKESA-N 1 0 212.337 2.329 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)C=C(C)C)C1 ZINC001267609831 960102764 /nfs/dbraw/zinc/10/27/64/960102764.db2.gz UDXYDWHIAOQLOV-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001267613661 960114702 /nfs/dbraw/zinc/11/47/02/960114702.db2.gz PAGDPAXAUMQAJI-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)/C(C)=C\C ZINC001481135699 960124182 /nfs/dbraw/zinc/12/41/82/960124182.db2.gz KZANIXKQZNIPJU-QPEQYQDCSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)C[N@H+](CCNC(=O)c1ccoc1)C1CC1 ZINC001481158150 960134770 /nfs/dbraw/zinc/13/47/70/960134770.db2.gz XWSUWYQNURBCQR-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)C[C@H](C)CCC)C1 ZINC001267676413 960196232 /nfs/dbraw/zinc/19/62/32/960196232.db2.gz JNRFOQQVCWSONC-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001144018901 972486982 /nfs/dbraw/zinc/48/69/82/972486982.db2.gz VUVWZSLSMVZPRL-STQMWFEESA-N 1 0 238.375 2.140 20 30 BEEDRO C=CC[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001144018898 972487244 /nfs/dbraw/zinc/48/72/44/972487244.db2.gz VUVWZSLSMVZPRL-OLZOCXBDSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001267738080 960257175 /nfs/dbraw/zinc/25/71/75/960257175.db2.gz PKLSQWVOJVEKHU-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC001267759440 960302714 /nfs/dbraw/zinc/30/27/14/960302714.db2.gz OEXDOOSRANQMIK-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000695657793 960328434 /nfs/dbraw/zinc/32/84/34/960328434.db2.gz JHVXCTCKSVHKIH-VHSXEESVSA-N 1 0 217.740 2.063 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@]1(C)C=CCC1 ZINC001267814560 960390868 /nfs/dbraw/zinc/39/08/68/960390868.db2.gz HDZVSICFJAXNGM-TZMCWYRMSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[C@@H](C)C(=O)NC(C)(C)CC[NH+](C)C ZINC001144026539 972502585 /nfs/dbraw/zinc/50/25/85/972502585.db2.gz JMMAWKIKPAFPBF-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H](C)CC)C1CC1 ZINC001267848994 960436878 /nfs/dbraw/zinc/43/68/78/960436878.db2.gz LSXJJFXHODSPOT-SMDDNHRTSA-N 1 0 238.375 2.093 20 30 BEEDRO COC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1CC1 ZINC000695778011 960457692 /nfs/dbraw/zinc/45/76/92/960457692.db2.gz JZJZCXGLKWUVFW-JQWIXIFHSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)CC[NH2+]C(C)C ZINC001481276953 960460940 /nfs/dbraw/zinc/46/09/40/960460940.db2.gz IMAIMPCKIKRJCX-CYBMUJFWSA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000695835332 960498353 /nfs/dbraw/zinc/49/83/53/960498353.db2.gz HGODFPBJHPJYSL-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1(CO)CC1 ZINC000695842253 960505835 /nfs/dbraw/zinc/50/58/35/960505835.db2.gz LCFSOKHXXDDHEF-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C(C)(C)O ZINC000695840779 960509504 /nfs/dbraw/zinc/50/95/04/960509504.db2.gz FGKBPHSDTSPMSR-MNOVXSKESA-N 1 0 226.364 2.454 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](C)O ZINC000695859766 960529039 /nfs/dbraw/zinc/52/90/39/960529039.db2.gz RUIZJWJHAFBWJQ-MXWKQRLJSA-N 1 0 212.337 2.064 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 ZINC001267950643 960544077 /nfs/dbraw/zinc/54/40/77/960544077.db2.gz XRZBXBOAMCOHCC-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[N@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140751108 960554020 /nfs/dbraw/zinc/55/40/20/960554020.db2.gz JQGHMYPDXSUKIE-UHFFFAOYSA-N 1 0 210.227 2.288 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]1C[NH2+]C(C)C ZINC001267964130 960588853 /nfs/dbraw/zinc/58/88/53/960588853.db2.gz GZVWRMUDNHJMMW-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(C)cc1F ZINC000686492372 960594443 /nfs/dbraw/zinc/59/44/43/960594443.db2.gz WDVFQRGPQGNSEW-UHFFFAOYSA-N 1 0 248.345 2.179 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C=C(CC)CC ZINC001267982987 960663340 /nfs/dbraw/zinc/66/33/40/960663340.db2.gz WVPNDPJBBSQXMQ-LBPRGKRZSA-N 1 0 238.375 2.261 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000398439623 960674845 /nfs/dbraw/zinc/67/48/45/960674845.db2.gz HZTFJTWTZYLOBK-QWHCGFSZSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000162731372 960736299 /nfs/dbraw/zinc/73/62/99/960736299.db2.gz VIURFEZYJCNHAU-UKRRQHHQSA-N 1 0 249.354 2.118 20 30 BEEDRO C#CCCC[NH2+]C1CCC(OCC)CC1 ZINC000691245266 960863987 /nfs/dbraw/zinc/86/39/87/960863987.db2.gz VWCWYTFGCBOMPY-UHFFFAOYSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C1=CCCCCC1 ZINC001126210520 960955478 /nfs/dbraw/zinc/95/54/78/960955478.db2.gz OHKHMXRRJSGQBT-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC001481474197 961004358 /nfs/dbraw/zinc/00/43/58/961004358.db2.gz JOIWJQXKNYMVEF-GXTWGEPZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC(C)C)C1 ZINC001481522992 961109834 /nfs/dbraw/zinc/10/98/34/961109834.db2.gz IKTPCLPNFRZKTL-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[C@@H]1C ZINC001268078760 961144274 /nfs/dbraw/zinc/14/42/74/961144274.db2.gz JDKGPPAGFVMGAX-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1c(Cl)cccc1CN1CCC[NH2+]CC1 ZINC001204667349 961151444 /nfs/dbraw/zinc/15/14/44/961151444.db2.gz IVKFLAJHWDACHY-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2SCCS2)o1 ZINC000692889395 961191516 /nfs/dbraw/zinc/19/15/16/961191516.db2.gz YNQOAXKYARECTK-UHFFFAOYSA-N 1 0 240.353 2.047 20 30 BEEDRO CC[NH+](CC)CCC[C@@H](C)N(C)[C@H](C)C#N ZINC001167842011 961233900 /nfs/dbraw/zinc/23/39/00/961233900.db2.gz VSSOFRAODZZGOZ-CHWSQXEVSA-N 1 0 225.380 2.341 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC)C[C@H]1C ZINC001268123508 961256372 /nfs/dbraw/zinc/25/63/72/961256372.db2.gz KWHHCANKKDRPOP-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)OCCCO2 ZINC001142266867 961396026 /nfs/dbraw/zinc/39/60/26/961396026.db2.gz NKUZCFCTEKQLKO-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)[C@H](C)CC)C(C)C ZINC001268204681 961417781 /nfs/dbraw/zinc/41/77/81/961417781.db2.gz JPQLUPNLAVQAOG-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CNC(=O)CC)C(C)C ZINC001268203965 961415096 /nfs/dbraw/zinc/41/50/96/961415096.db2.gz DYYWEGMJSBPNMF-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)C1CCC1)C(C)C ZINC001268203939 961415696 /nfs/dbraw/zinc/41/56/96/961415696.db2.gz DOJHPIHDJJZVAJ-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)C(C)(C)F)C(C)C ZINC001268207307 961427356 /nfs/dbraw/zinc/42/73/56/961427356.db2.gz XKIJZMGVNSOESV-LLVKDONJSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)C ZINC001268266403 961515661 /nfs/dbraw/zinc/51/56/61/961515661.db2.gz BHQCXYUNIJBDTJ-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)C ZINC001268266396 961517066 /nfs/dbraw/zinc/51/70/66/961517066.db2.gz BHQCXYUNIJBDTJ-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167898649 961530843 /nfs/dbraw/zinc/53/08/43/961530843.db2.gz SXTWSQPXJUCRSW-WDNDVIMCSA-N 1 0 212.296 2.446 20 30 BEEDRO C=CCCC[NH+]1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001268297606 961551798 /nfs/dbraw/zinc/55/17/98/961551798.db2.gz WKCSVAUGKYNVFG-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)CC)C1 ZINC001481707444 961613200 /nfs/dbraw/zinc/61/32/00/961613200.db2.gz WETFYHDFRSCJNM-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)CC[NH2+]CCF ZINC001268401935 961731516 /nfs/dbraw/zinc/73/15/16/961731516.db2.gz DLCXFRMZQMSPLW-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC(C)(C)C(=O)NC1C[NH+](C[C@H](C)CC)C1 ZINC001268437509 961781483 /nfs/dbraw/zinc/78/14/83/961781483.db2.gz KABVYGRFGKJIRB-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)C=C2CCC2)C1 ZINC001481765754 961804424 /nfs/dbraw/zinc/80/44/24/961804424.db2.gz YNUFOJNGOZRQTQ-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC)CC[NH2+]CCC ZINC001268451595 961809488 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C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)CCC)C1 ZINC001269227313 962554313 /nfs/dbraw/zinc/55/43/13/962554313.db2.gz KDHMSGVPBUYWOA-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO N#C[C@H]1CC[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001254635168 1169810943 /nfs/dbraw/zinc/81/09/43/1169810943.db2.gz DUSCBFMMAHPMNV-WPRPVWTQSA-N 1 0 248.717 2.342 20 30 BEEDRO N#C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001254635166 1169810970 /nfs/dbraw/zinc/81/09/70/1169810970.db2.gz DUSCBFMMAHPMNV-SCZZXKLOSA-N 1 0 248.717 2.342 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1CCC1 ZINC001269361105 962619794 /nfs/dbraw/zinc/61/97/94/962619794.db2.gz QLHJXNQQLMGZJM-NSHDSACASA-N 1 0 244.766 2.023 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H](C)CC ZINC001269371230 962630938 /nfs/dbraw/zinc/63/09/38/962630938.db2.gz DDBYHRDRCJIQJR-KOLCDFICSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCCC(=O)NC[C@H](CC)[NH2+]CC(=C)Cl ZINC001269378168 962636504 /nfs/dbraw/zinc/63/65/04/962636504.db2.gz NPAOSKDJDHYOOX-NSHDSACASA-N 1 0 244.766 2.190 20 30 BEEDRO COc1cccnc1CN1CCC[C@@H](C#N)CC1 ZINC001206650677 962645707 /nfs/dbraw/zinc/64/57/07/962645707.db2.gz UNWYQJKSWOUFFY-GFCCVEGCSA-N 1 0 245.326 2.216 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)/C(C)=C/C ZINC001269389994 962646193 /nfs/dbraw/zinc/64/61/93/962646193.db2.gz FDPKNZGXZCEINI-BCMYLCSRSA-N 1 0 224.348 2.013 20 30 BEEDRO CCCCCCC[NH2+]CCCNC(=O)CC ZINC001154017250 962687294 /nfs/dbraw/zinc/68/72/94/962687294.db2.gz HFJWJVHRJAAABP-UHFFFAOYSA-N 1 0 228.380 2.463 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)CCC ZINC001154155719 962720576 /nfs/dbraw/zinc/72/05/76/962720576.db2.gz STCCIKPUSLLKNL-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)c1ccccc1 ZINC001154251519 962741093 /nfs/dbraw/zinc/74/10/93/962741093.db2.gz SUBODTAXNVIWEI-UHFFFAOYSA-N 1 0 246.354 2.362 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC001254654037 1169814663 /nfs/dbraw/zinc/81/46/63/1169814663.db2.gz RODHFUKAWPTKEB-ZDEQEGDKSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC1CCCCC1 ZINC001154407689 962769304 /nfs/dbraw/zinc/76/93/04/962769304.db2.gz XWHHGNFJHBZXFZ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)CC(C)(C)C ZINC001154666963 962829403 /nfs/dbraw/zinc/82/94/03/962829403.db2.gz DPYXVFIHSHLLRQ-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C(CC)CC ZINC001154828968 962860382 /nfs/dbraw/zinc/86/03/82/962860382.db2.gz KITGOVZKLROKTH-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C(CC)CC ZINC001154834921 962864269 /nfs/dbraw/zinc/86/42/69/962864269.db2.gz KSXKHHMOWUREPI-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](C)[N@H+](CC)CC=C ZINC001154957529 962903382 /nfs/dbraw/zinc/90/33/82/962903382.db2.gz GEZLRXPLZAZYIX-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO Cc1nc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1CC#N ZINC001154988722 962934017 /nfs/dbraw/zinc/93/40/17/962934017.db2.gz RMXMCVZBYLJQRU-OLZOCXBDSA-N 1 0 244.342 2.138 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC(C)(F)F ZINC001155073611 962960177 /nfs/dbraw/zinc/96/01/77/962960177.db2.gz ZMXMBVLCPJHOGZ-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C1(C)CC1 ZINC001482287616 962975831 /nfs/dbraw/zinc/97/58/31/962975831.db2.gz DCSAVWLJZRVEGC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001270534282 963005649 /nfs/dbraw/zinc/00/56/49/963005649.db2.gz IYSFNJTVJSRMQQ-STQMWFEESA-N 1 0 240.391 2.197 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C=C(/C)C1CC1 ZINC001155199941 963021615 /nfs/dbraw/zinc/02/16/15/963021615.db2.gz OHTYFQMDWBSYJS-QXMHVHEDSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C(C)=C/CC ZINC001155318623 963047691 /nfs/dbraw/zinc/04/76/91/963047691.db2.gz GLRIIXRWCUFUHA-UKTHLTGXSA-N 1 0 238.375 2.405 20 30 BEEDRO C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)C)C1 ZINC001270680165 963070278 /nfs/dbraw/zinc/07/02/78/963070278.db2.gz IBPJPHYDIGVBNT-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)[C@H](C)C[NH2+]CC ZINC001482327504 963133509 /nfs/dbraw/zinc/13/35/09/963133509.db2.gz LMVALJMROMYKHL-YPMHNXCESA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CC=C(C)C ZINC001155587103 963107296 /nfs/dbraw/zinc/10/72/96/963107296.db2.gz XMVFCWGUIZAZKJ-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CCC(C)(C)C ZINC001155586623 963117394 /nfs/dbraw/zinc/11/73/94/963117394.db2.gz CAMJMJDBSLVYFH-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CCC(=C)C ZINC001155586714 963118524 /nfs/dbraw/zinc/11/85/24/963118524.db2.gz GYTPGBLNTQOYFD-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCC=C ZINC001155593979 963123428 /nfs/dbraw/zinc/12/34/28/963123428.db2.gz VDWQFFYQIFOLAX-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO COCC[N@H+](C(C)C)[C@@H]1CC[C@@H](C#N)C1 ZINC001254670086 1169819414 /nfs/dbraw/zinc/81/94/14/1169819414.db2.gz YWWHQXMYDZAIGG-VXGBXAGGSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(F)F ZINC001270878020 963237653 /nfs/dbraw/zinc/23/76/53/963237653.db2.gz LJZPPMCVRKNDCU-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO CC[NH+](CC)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254670025 1169821584 /nfs/dbraw/zinc/82/15/84/1169821584.db2.gz YBOHZSDLVMNQJP-UKRRQHHQSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C=C(CC)CC ZINC001156477288 963362797 /nfs/dbraw/zinc/36/27/97/963362797.db2.gz MNDMQBRFDCCFPE-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C ZINC001156544958 963381931 /nfs/dbraw/zinc/38/19/31/963381931.db2.gz VTBCUFJUMPRPBX-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO CC(C)c1ccc(C#N)c(-n2cccc2C[NH3+])n1 ZINC001156724098 963443949 /nfs/dbraw/zinc/44/39/49/963443949.db2.gz WQCVIRZPMJIKQK-UHFFFAOYSA-N 1 0 240.310 2.326 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2cc(C#N)ccc2F)C1 ZINC001227057480 963448317 /nfs/dbraw/zinc/44/83/17/963448317.db2.gz CFSYEVJTGHNHRO-NSHDSACASA-N 1 0 234.274 2.170 20 30 BEEDRO Cc1cccc(O)c1O[C@H](CC#N)C[N+](C)(C)C ZINC001227138911 963462407 /nfs/dbraw/zinc/46/24/07/963462407.db2.gz FFEBDLYRZKRCOF-GFCCVEGCSA-O 1 0 249.334 2.068 20 30 BEEDRO C#CCO[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001205012508 963511196 /nfs/dbraw/zinc/51/11/96/963511196.db2.gz PVMRRZZTWJAINM-AWEZNQCLSA-N 1 0 217.312 2.329 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cccc(CC)c1O ZINC000897168719 963548142 /nfs/dbraw/zinc/54/81/42/963548142.db2.gz DLLUBBCPYNJEME-UHFFFAOYSA-N 1 0 217.312 2.410 20 30 BEEDRO C=C(C)C(=O)OCCNc1cc2[nH]ccc2c[nH+]1 ZINC001157305007 963576761 /nfs/dbraw/zinc/57/67/61/963576761.db2.gz ZQFHFVAESWUGFW-UHFFFAOYSA-N 1 0 245.282 2.094 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](CCC)C1CCC1 ZINC000320634654 963582563 /nfs/dbraw/zinc/58/25/63/963582563.db2.gz LJYDSXFXKRSJJE-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)CCCC ZINC001157371944 963586678 /nfs/dbraw/zinc/58/66/78/963586678.db2.gz WXMRTQRZXSOJIS-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001204791184 963586830 /nfs/dbraw/zinc/58/68/30/963586830.db2.gz PCVQVHXCIYZXDQ-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO C[C@H](C#N)N(C)c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001157491991 963637698 /nfs/dbraw/zinc/63/76/98/963637698.db2.gz ZZBAWUSSDVDJOA-LLVKDONJSA-N 1 0 244.342 2.024 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C=C(/C)CC ZINC001157550748 963659932 /nfs/dbraw/zinc/65/99/32/963659932.db2.gz KTUWAXWEGGTHLH-XFXZXTDPSA-N 1 0 224.348 2.015 20 30 BEEDRO C#CCC1([NH2+]Cc2cn3ccnc3s2)CCC1 ZINC000897350902 963671979 /nfs/dbraw/zinc/67/19/79/963671979.db2.gz OVBAGHYRIAUIEF-UHFFFAOYSA-N 1 0 245.351 2.431 20 30 BEEDRO N#Cc1ccc(OC[C@H]2CCCC[NH2+]C2)c(F)c1 ZINC000697063290 963685272 /nfs/dbraw/zinc/68/52/72/963685272.db2.gz IXJMUOIEWXWYGP-LBPRGKRZSA-N 1 0 248.301 2.466 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]([NH2+]CC)C(C)C ZINC001482555555 963712597 /nfs/dbraw/zinc/71/25/97/963712597.db2.gz VUOHOGIAYZLHNL-JSGCOSHPSA-N 1 0 240.391 2.339 20 30 BEEDRO CCc1cc(CN2CC[C@](C)([NH3+])C2)ccc1C#N ZINC001204808325 963776090 /nfs/dbraw/zinc/77/60/90/963776090.db2.gz ARIACQHCBUEIBW-HNNXBMFYSA-N 1 0 243.354 2.044 20 30 BEEDRO C[C@@H]1C[C@@H]([NH+]2CCC(CC#N)CC2)CCO1 ZINC001168127888 963802878 /nfs/dbraw/zinc/80/28/78/963802878.db2.gz JTGGCUCYXYKTRO-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)CCO1 ZINC001168131713 963819726 /nfs/dbraw/zinc/81/97/26/963819726.db2.gz QDRQDEKLLKFFBT-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H]1C ZINC001088468668 963838805 /nfs/dbraw/zinc/83/88/05/963838805.db2.gz WDVZCQMVWVLJBI-YPMHNXCESA-N 1 0 248.326 2.048 20 30 BEEDRO Cc1cc(C#N)c(NCC[C@H]2CCC[NH2+]2)nc1C ZINC001158627746 963898475 /nfs/dbraw/zinc/89/84/75/963898475.db2.gz OZKPTGIUGQPOLN-CYBMUJFWSA-N 1 0 244.342 2.124 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)C[C@@H](C)CC ZINC001482591789 963902052 /nfs/dbraw/zinc/90/20/52/963902052.db2.gz NTXHHWVYWZSRQD-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cccc(N(C)C)[nH+]1 ZINC001158736818 963911713 /nfs/dbraw/zinc/91/17/13/963911713.db2.gz NDIZRKYBSQPWHH-ZDUSSCGKSA-N 1 0 217.316 2.361 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(CC=C)CC=C ZINC001158746865 963915119 /nfs/dbraw/zinc/91/51/19/963915119.db2.gz JUNVSMGBKKVUKF-UHFFFAOYSA-N 1 0 236.359 2.037 20 30 BEEDRO CC1(Nc2cc(C#N)ccc2F)CC[NH2+]CC1 ZINC001168186587 963942776 /nfs/dbraw/zinc/94/27/76/963942776.db2.gz DRAGZHLXEKCDGK-UHFFFAOYSA-N 1 0 233.290 2.251 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC(=C)Cl ZINC001159015097 963973372 /nfs/dbraw/zinc/97/33/72/963973372.db2.gz UERTYBDMEOCRDE-UHFFFAOYSA-N 1 0 244.766 2.191 20 30 BEEDRO N#Cc1ccc(CNc2cc(N)cc[nH+]2)s1 ZINC001159173105 964009286 /nfs/dbraw/zinc/00/92/86/964009286.db2.gz UPDDGDHHPZWAFF-UHFFFAOYSA-N 1 0 230.296 2.209 20 30 BEEDRO Cc1cc(CC#N)ccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168231883 964020390 /nfs/dbraw/zinc/02/03/90/964020390.db2.gz UKLJEOONRMDOOF-OCCSQVGLSA-N 1 0 247.317 2.173 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CC1(C#N)CC1)C2 ZINC001168241662 964042564 /nfs/dbraw/zinc/04/25/64/964042564.db2.gz LYYVOLXQIGWUPV-ZDUSSCGKSA-N 1 0 242.322 2.056 20 30 BEEDRO N#Cc1cccc(NC2=C[NH2+]CCC2)c1F ZINC001159521245 964121954 /nfs/dbraw/zinc/12/19/54/964121954.db2.gz HPNAJPBFOYIAED-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC(C)C ZINC001482668531 964128317 /nfs/dbraw/zinc/12/83/17/964128317.db2.gz VRVDGYKBLZNOIJ-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1cc(F)c(F)cc1NC1=C[NH2+]CCC1 ZINC001159825982 964209243 /nfs/dbraw/zinc/20/92/43/964209243.db2.gz FZMQHONDRPQRNF-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO CCOc1cc[nH+]c(NCCCS)c1 ZINC001159869869 964215036 /nfs/dbraw/zinc/21/50/36/964215036.db2.gz GOQURMKLHLRNKS-UHFFFAOYSA-N 1 0 212.318 2.212 20 30 BEEDRO Cc1cc(Cl)nc(NCC(C)(C)[NH3+])c1C#N ZINC001160025785 964237624 /nfs/dbraw/zinc/23/76/24/964237624.db2.gz XIQSTDCXMIVWQZ-UHFFFAOYSA-N 1 0 238.722 2.064 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)C1=CCCC1 ZINC001482917111 964239335 /nfs/dbraw/zinc/23/93/35/964239335.db2.gz NBVKMEBJLILVMT-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CCOc1ccccc1CO[C@@H]1CC[N@@H+](C)C1 ZINC001223785786 964244945 /nfs/dbraw/zinc/24/49/45/964244945.db2.gz OBFYOQGAICIKEY-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(CC)CC[NH2+]CC ZINC001482947124 964260252 /nfs/dbraw/zinc/26/02/52/964260252.db2.gz DVRRGLKWDOUECJ-ZDUSSCGKSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)CC1CC1 ZINC001482976461 964274277 /nfs/dbraw/zinc/27/42/77/964274277.db2.gz QYECBQKDQKYQCU-ONEGZZNKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)/C=C(/C)CC ZINC001126770557 964310693 /nfs/dbraw/zinc/31/06/93/964310693.db2.gz MFANHPHZDMJGJR-QXMHVHEDSA-N 1 0 224.348 2.015 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC/C=C/C[NH2+]CCC ZINC001483042843 964336157 /nfs/dbraw/zinc/33/61/57/964336157.db2.gz RCBVKONUKJXAIO-BQYQJAHWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)C1CCC1 ZINC001160794021 964415438 /nfs/dbraw/zinc/41/54/38/964415438.db2.gz BTWWSXIHCQHMSQ-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000697660516 964435750 /nfs/dbraw/zinc/43/57/50/964435750.db2.gz LIPAGLWDXOZMIF-UWVGGRQHSA-N 1 0 232.274 2.035 20 30 BEEDRO C[NH+](C)C1CCC(N2CCCC[C@H]2C#N)CC1 ZINC001168323769 964452647 /nfs/dbraw/zinc/45/26/47/964452647.db2.gz CHASOJABKOPOSF-RUXDESIVSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1nccnc1CC ZINC001160953066 964453662 /nfs/dbraw/zinc/45/36/62/964453662.db2.gz PEMLJIIDSUBPFX-LBPRGKRZSA-N 1 0 246.358 2.101 20 30 BEEDRO CCCCN(CC#N)C1CCC([NH+](C)C)CC1 ZINC001168326564 964454887 /nfs/dbraw/zinc/45/48/87/964454887.db2.gz BKVUCOUCHZOXPX-UHFFFAOYSA-N 1 0 237.391 2.485 20 30 BEEDRO Cc1cc(NCC[C@H]2CCC[N@H+]2C)ncc1C#N ZINC001160965352 964460460 /nfs/dbraw/zinc/46/04/60/964460460.db2.gz ZESATFWOSVEAKC-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC ZINC001272226486 964529748 /nfs/dbraw/zinc/52/97/48/964529748.db2.gz RRLFFCQPPRYQQK-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1OCC#N ZINC001224379195 964602922 /nfs/dbraw/zinc/60/29/22/964602922.db2.gz UGUGNBAGHOHQEH-DZGCQCFKSA-N 1 0 244.338 2.437 20 30 BEEDRO C=CC(NCc1ccccc1C)=[NH+]COC ZINC001161621110 964648300 /nfs/dbraw/zinc/64/83/00/964648300.db2.gz RXECNLHLPDHVRM-UHFFFAOYSA-N 1 0 218.300 2.273 20 30 BEEDRO C[NH+](C)CCNc1ccc2c(ccnc2C#N)c1 ZINC001161672826 964677402 /nfs/dbraw/zinc/67/74/02/964677402.db2.gz JRGCBPNHZHKPKJ-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO N#C[C@@H](Nc1cc(C[NH3+])ccn1)c1ccccc1 ZINC001161711941 964704263 /nfs/dbraw/zinc/70/42/63/964704263.db2.gz ULXWMVDAEBAMKN-CYBMUJFWSA-N 1 0 238.294 2.217 20 30 BEEDRO Cc1c(C#N)ccnc1NCCCC[NH+](C)C ZINC001161724452 964715892 /nfs/dbraw/zinc/71/58/92/964715892.db2.gz JAGOXDBCYGNELW-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C[NH+](C)CCCCNc1cc(C#N)ccc1F ZINC001161731290 964718643 /nfs/dbraw/zinc/71/86/43/964718643.db2.gz ZCPZJMMJVYNOLF-UHFFFAOYSA-N 1 0 235.306 2.451 20 30 BEEDRO N#CCc1cc(NC2Cc3ccccc3C2)cc[nH+]1 ZINC001161762611 964742245 /nfs/dbraw/zinc/74/22/45/964742245.db2.gz LDGZHVMVLOQAHR-UHFFFAOYSA-N 1 0 249.317 2.149 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCCC(=O)C2)CC1 ZINC001256959439 1169848501 /nfs/dbraw/zinc/84/85/01/1169848501.db2.gz ZBEDNNKQMUPIKT-MCIGGMRASA-N 1 0 220.316 2.170 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cccc(O)c2O)CC1 ZINC001256958906 1169849895 /nfs/dbraw/zinc/84/98/95/1169849895.db2.gz RHWHEHHYQQRJDJ-UHFFFAOYSA-N 1 0 246.310 2.270 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CCC(C)C ZINC001483206699 964822868 /nfs/dbraw/zinc/82/28/68/964822868.db2.gz MAUQBDGCOXNIRD-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C[N@@H+]1CCC[C@@H](OCCc2ccc(C#N)cc2)C1 ZINC001224654389 964845063 /nfs/dbraw/zinc/84/50/63/964845063.db2.gz RSFNPZZYTJHQLL-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO N#CC1(Nc2c[nH+]cc3cc[nH]c32)CCC1 ZINC001162312450 964923243 /nfs/dbraw/zinc/92/32/43/964923243.db2.gz CDRNNNHPTNGMNL-UHFFFAOYSA-N 1 0 212.256 2.421 20 30 BEEDRO N#CC1(Nc2ccccc2CC[NH3+])CCC1 ZINC001162312548 964924217 /nfs/dbraw/zinc/92/42/17/964924217.db2.gz DTIINPAOWCZZJN-UHFFFAOYSA-N 1 0 215.300 2.046 20 30 BEEDRO N#CC1(Nc2cccc3c2CC[C@H]3[NH3+])CCC1 ZINC001162316123 964928913 /nfs/dbraw/zinc/92/89/13/964928913.db2.gz ZXIVGNOIPNACAR-GFCCVEGCSA-N 1 0 227.311 2.491 20 30 BEEDRO C=CCC[C@H](CC)OCC[N+](C)(C)C ZINC001224773512 964937490 /nfs/dbraw/zinc/93/74/90/964937490.db2.gz JDCPOIOYMRSZRK-LBPRGKRZSA-N 1 0 200.346 2.454 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC1(C)CC1 ZINC001483250000 964943719 /nfs/dbraw/zinc/94/37/19/964943719.db2.gz SMKAEQQHFGOEBK-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001483254949 964946232 /nfs/dbraw/zinc/94/62/32/964946232.db2.gz KOHOXUBOGNURNA-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CC[C@H](O)CC2)CC1 ZINC001256962742 1169852280 /nfs/dbraw/zinc/85/22/80/1169852280.db2.gz VYZOLBYPXUVZQF-VKNLNRKYSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC001483327446 964974974 /nfs/dbraw/zinc/97/49/74/964974974.db2.gz ICFWZFFYLHWUNK-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc(C#N)ccn1 ZINC001162453947 964983471 /nfs/dbraw/zinc/98/34/71/964983471.db2.gz MWARSUUATIYSSK-WCQYABFASA-N 1 0 244.342 2.001 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)C1(C)CCC1 ZINC001483484644 965019563 /nfs/dbraw/zinc/01/95/63/965019563.db2.gz JCQDMEZZJSPTJI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO N#CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000057879352 965198833 /nfs/dbraw/zinc/19/88/33/965198833.db2.gz QBEOTFRVCDMXLX-CQSZACIVSA-N 1 0 248.301 2.095 20 30 BEEDRO C#C[C@H](C)Nc1cc(N2CCCC2)cc[nH+]1 ZINC001163161217 965273782 /nfs/dbraw/zinc/27/37/82/965273782.db2.gz UMJMCLGSNOWUJF-NSHDSACASA-N 1 0 215.300 2.115 20 30 BEEDRO C[N@@H+]1CC[C@H](c2ccc(NCC#N)cc2)C1 ZINC001163187670 965291494 /nfs/dbraw/zinc/29/14/94/965291494.db2.gz RULSXCCQMGNCGE-LBPRGKRZSA-N 1 0 215.300 2.041 20 30 BEEDRO Cc1ccc(C#N)c(N(C(C)C)C(C)(C)C[NH3+])n1 ZINC001163187058 965292017 /nfs/dbraw/zinc/29/20/17/965292017.db2.gz SJGJSARYNRMYEC-UHFFFAOYSA-N 1 0 246.358 2.214 20 30 BEEDRO Cc1nc(N(C(C)C)C(C)(C)C[NH3+])ccc1C#N ZINC001163188068 965292511 /nfs/dbraw/zinc/29/25/11/965292511.db2.gz MGDABTXJNFKJNE-UHFFFAOYSA-N 1 0 246.358 2.214 20 30 BEEDRO C#CCCC1(CCNc2cc(OC)cc[nH+]2)N=N1 ZINC001163377349 965380050 /nfs/dbraw/zinc/38/00/50/965380050.db2.gz BNEHNUZHDGILKF-UHFFFAOYSA-N 1 0 244.298 2.468 20 30 BEEDRO C=C(C)CNc1cccc2c1C[NH2+]CC2 ZINC001163381965 965386610 /nfs/dbraw/zinc/38/66/10/965386610.db2.gz NJVPKADYYCVPOF-UHFFFAOYSA-N 1 0 202.301 2.320 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1CC[N@H+]1C(C)C ZINC001483670004 965413898 /nfs/dbraw/zinc/41/38/98/965413898.db2.gz HUTNOCMVGHXVAS-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)s1 ZINC001232845762 965420128 /nfs/dbraw/zinc/42/01/28/965420128.db2.gz OSYIMMMKXGPMOT-ZWNOBZJWSA-N 1 0 248.351 2.231 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(C#N)c1 ZINC001232962936 965444999 /nfs/dbraw/zinc/44/49/99/965444999.db2.gz UYVYPHZUWKYIFY-ZDUSSCGKSA-N 1 0 244.338 2.071 20 30 BEEDRO C[N@@H+]1CCN(c2cc(F)ccc2C#N)CC1(C)C ZINC001163629882 965487323 /nfs/dbraw/zinc/48/73/23/965487323.db2.gz QYXRWXNTGGTTEC-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c([O-])c1 ZINC001233383458 965497480 /nfs/dbraw/zinc/49/74/80/965497480.db2.gz JBAIOTYALNQETF-CHWSQXEVSA-N 1 0 242.322 2.496 20 30 BEEDRO CC(=O)C=C(C)Nc1ccccc1CC[NH3+] ZINC001163742128 965566334 /nfs/dbraw/zinc/56/63/34/965566334.db2.gz SISJUCKQNUTWQS-KTKRTIGZSA-N 1 0 218.300 2.093 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)/C=C/C(C)(C)C)CC1 ZINC001483722074 965590303 /nfs/dbraw/zinc/59/03/03/965590303.db2.gz PQDLMGFQQBDAMA-VOTSOKGWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2CCC ZINC001272456932 965616555 /nfs/dbraw/zinc/61/65/55/965616555.db2.gz ORRYIIOYVBOOPN-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)CN1CC[C@]2(CCC[N@H+]2CCC)C1=O ZINC001272456195 965618063 /nfs/dbraw/zinc/61/80/63/965618063.db2.gz DVKXQJIRKCDUJA-CQSZACIVSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)C2CC=CC2)CC1 ZINC001163918150 965628368 /nfs/dbraw/zinc/62/83/68/965628368.db2.gz LFGNCEYZIWGLMO-UHFFFAOYSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CC(NCc1ccc(NC)cc1)=[NH+]COC ZINC001164151224 965765450 /nfs/dbraw/zinc/76/54/50/965765450.db2.gz KVERCOIGMIEJPQ-UHFFFAOYSA-N 1 0 233.315 2.006 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](F)C(C)C ZINC001164197890 965790197 /nfs/dbraw/zinc/79/01/97/965790197.db2.gz RYIYKQLFPVYOPO-LBPRGKRZSA-N 1 0 244.354 2.043 20 30 BEEDRO CCCC[C@H](CCC)CNC(=[NH2+])N(C)C ZINC000176493065 965790790 /nfs/dbraw/zinc/79/07/90/965790790.db2.gz HJELTLSOJRKRIG-NSHDSACASA-N 1 0 213.369 2.469 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]CCCC ZINC001164360892 965857091 /nfs/dbraw/zinc/85/70/91/965857091.db2.gz WEEXPUNVSOPWEB-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000699439712 965870379 /nfs/dbraw/zinc/87/03/79/965870379.db2.gz SUPLFUNIPSXUFZ-SMDDNHRTSA-N 1 0 248.301 2.212 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CCNc2cc(C#N)ccn2)C1 ZINC001165254478 966010851 /nfs/dbraw/zinc/01/08/51/966010851.db2.gz WQJALDIHAZPQNI-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO CCc1cc(C[NH+]2CCC(S)CC2)on1 ZINC001203227234 966047692 /nfs/dbraw/zinc/04/76/92/966047692.db2.gz WNIUTYSIXMFXGC-UHFFFAOYSA-N 1 0 226.345 2.131 20 30 BEEDRO C=CC[NH2+]CCN1CCc2c(C)cccc2C1 ZINC001205164316 966121450 /nfs/dbraw/zinc/12/14/50/966121450.db2.gz COMOWQMXSCLSCY-UHFFFAOYSA-N 1 0 230.355 2.129 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(C)(C)CCC ZINC001165581972 966135033 /nfs/dbraw/zinc/13/50/33/966135033.db2.gz KLNAWOXDPYAQTI-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C(C)C ZINC001272656885 966170247 /nfs/dbraw/zinc/17/02/47/966170247.db2.gz GMPVMHKSZKVYGP-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC001203138719 966136668 /nfs/dbraw/zinc/13/66/68/966136668.db2.gz XHDQDSCERRTCTE-LLVKDONJSA-N 1 0 241.294 2.068 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001166024914 966234912 /nfs/dbraw/zinc/23/49/12/966234912.db2.gz HLOGZVKKONWLJE-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)c2cc(C)co2)CC1 ZINC001483760367 966251731 /nfs/dbraw/zinc/25/17/31/966251731.db2.gz MRZKGCBNNRTRCT-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C=C1CC(C)(C(=O)NCCC[NH2+]CC(C)C)C1 ZINC001166222041 966260625 /nfs/dbraw/zinc/26/06/25/966260625.db2.gz AWOWMBVRHQGFDQ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H](C)c1ccc(OC)cc1 ZINC000180294748 966442216 /nfs/dbraw/zinc/44/22/16/966442216.db2.gz XKAVRKXRLYGJQS-CQSZACIVSA-N 1 0 241.334 2.367 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC001484328961 966456760 /nfs/dbraw/zinc/45/67/60/966456760.db2.gz OZBZTMIMLZOBDM-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC1(CC(=O)N[C@@H](C)[C@@H](C)[NH3+])CCCCC1 ZINC001521547170 966474184 /nfs/dbraw/zinc/47/41/84/966474184.db2.gz RLETYXOJJUTDEL-NEPJUHHUSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC=CC1 ZINC001484615427 966496644 /nfs/dbraw/zinc/49/66/44/966496644.db2.gz WMLSTNCVFSHEQO-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](C)CCC ZINC001272688569 966504859 /nfs/dbraw/zinc/50/48/59/966504859.db2.gz NJEZLLBBDBVCLP-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CCC[N@@H+](CC)CC1 ZINC001484724037 966509207 /nfs/dbraw/zinc/50/92/07/966509207.db2.gz SMWNANJWGQNORT-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)NCC[C@H](C)[NH2+]CC=C(C)C ZINC001484989699 966531426 /nfs/dbraw/zinc/53/14/26/966531426.db2.gz JZLDMURIRZVLIN-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001484993225 966533603 /nfs/dbraw/zinc/53/36/03/966533603.db2.gz IQDRVZDIPSGNCM-LBPRGKRZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)C ZINC001485116637 966546220 /nfs/dbraw/zinc/54/62/20/966546220.db2.gz STKHYNWSUOWTJM-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](F)CC ZINC001485338498 966590161 /nfs/dbraw/zinc/59/01/61/966590161.db2.gz LTQITFGONYMKFH-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C(C)C ZINC001485357829 966593147 /nfs/dbraw/zinc/59/31/47/966593147.db2.gz UVUZNDORVJZWNH-QWHCGFSZSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)C=C(C)C ZINC001485460317 966602740 /nfs/dbraw/zinc/60/27/40/966602740.db2.gz MNCMPIMUIVTQFC-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001485717246 966627998 /nfs/dbraw/zinc/62/79/98/966627998.db2.gz CLMHZUDXSZDRGZ-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H](C)CCC ZINC001124588519 966666894 /nfs/dbraw/zinc/66/68/94/966666894.db2.gz SVHXPYXJDCGDAH-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C[C@H](C)CCC ZINC001124583228 966667075 /nfs/dbraw/zinc/66/70/75/966667075.db2.gz WPAMOCQJQRAXOH-SNVBAGLBSA-N 1 0 246.782 2.271 20 30 BEEDRO C[C@@H](CC#N)NCc1cnn(CC2CCC2)c1 ZINC001203521133 966675191 /nfs/dbraw/zinc/67/51/91/966675191.db2.gz DVMLICNKKNYHGV-NSHDSACASA-N 1 0 232.331 2.075 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)/C=C/C(C)(C)C ZINC001124911632 966718929 /nfs/dbraw/zinc/71/89/29/966718929.db2.gz CVEOCLJANZKPHL-SOFGYWHQSA-N 1 0 238.375 2.261 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CCCC(C)C)C1 ZINC001203664922 966731674 /nfs/dbraw/zinc/73/16/74/966731674.db2.gz CAYNNXCKTFJOAI-CQSZACIVSA-N 1 0 222.376 2.110 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001203665721 966733025 /nfs/dbraw/zinc/73/30/25/966733025.db2.gz QMXAKIDEFDELIL-AWEZNQCLSA-N 1 0 222.376 2.110 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001203757988 966771499 /nfs/dbraw/zinc/77/14/99/966771499.db2.gz XXHNSAZIOQFLDF-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(C)n1 ZINC000692227263 966772721 /nfs/dbraw/zinc/77/27/21/966772721.db2.gz PATCEMNPVVDVTG-AAEUAGOBSA-N 1 0 234.347 2.040 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@]1(C)O ZINC001203756940 966772890 /nfs/dbraw/zinc/77/28/90/966772890.db2.gz FQPNJPZTZGOQCG-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162539050 966787939 /nfs/dbraw/zinc/78/79/39/966787939.db2.gz FAMGTVNDQKRVFJ-LLVKDONJSA-N 1 0 205.276 2.370 20 30 BEEDRO N#CCc1ccc(C2=CCC[NH2+]CC2)cc1C#N ZINC001238941620 966792628 /nfs/dbraw/zinc/79/26/28/966792628.db2.gz PFRVDBVVVPNTKG-UHFFFAOYSA-N 1 0 237.306 2.391 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1 ZINC001203904750 966815221 /nfs/dbraw/zinc/81/52/21/966815221.db2.gz FLHBZUQZZGXSMB-ZSOGYDGISA-N 1 0 230.286 2.206 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@]1(C)O ZINC001203899943 966815595 /nfs/dbraw/zinc/81/55/95/966815595.db2.gz IRHYFOWICIGXRJ-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC001205202948 966829657 /nfs/dbraw/zinc/82/96/57/966829657.db2.gz XHRAGCYCNVWDHX-IAQYHMDHSA-N 1 0 243.354 2.042 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001127928234 966864989 /nfs/dbraw/zinc/86/49/89/966864989.db2.gz HAOIQCKYEHZRMK-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO CCC1(Nc2ccc(CS)cc2)C[NH2+]C1 ZINC001168582265 966919106 /nfs/dbraw/zinc/91/91/06/966919106.db2.gz LOMPYAKVQKGNMA-UHFFFAOYSA-N 1 0 222.357 2.280 20 30 BEEDRO C=C(C)c1ccc(NC2(CC)C[NH2+]C2)nc1 ZINC001168584275 966933756 /nfs/dbraw/zinc/93/37/56/966933756.db2.gz ZTVYHSWMHIXTFN-UHFFFAOYSA-N 1 0 217.316 2.279 20 30 BEEDRO O=C1C=C2CN(Cc3ccoc3)CC[C@H]2S1 ZINC001204242091 966937388 /nfs/dbraw/zinc/93/73/88/966937388.db2.gz SUVKMLGIQYESHD-LLVKDONJSA-N 1 0 235.308 2.054 20 30 BEEDRO CCC1(Nc2cc(F)cc(CC#N)c2)C[NH2+]C1 ZINC001168586869 966941862 /nfs/dbraw/zinc/94/18/62/966941862.db2.gz MGJIRCHLTXGALO-UHFFFAOYSA-N 1 0 233.290 2.056 20 30 BEEDRO C=CCC[NH2+]CC1CCN(C(=O)CCC)CC1 ZINC001204295239 966964976 /nfs/dbraw/zinc/96/49/76/966964976.db2.gz ZHAPUDQRBHPTFX-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO N#Cc1ccccc1CN1CC2(CSC2)C1 ZINC001204373209 966987242 /nfs/dbraw/zinc/98/72/42/966987242.db2.gz QIWJPEIAMJZAPA-UHFFFAOYSA-N 1 0 230.336 2.107 20 30 BEEDRO C#CC[N@@H+](C)Cc1cn(C(C)=O)c2ccccc12 ZINC001204409912 966990436 /nfs/dbraw/zinc/99/04/36/966990436.db2.gz JFAYWMBZXHULLW-UHFFFAOYSA-N 1 0 240.306 2.366 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)CC[NH2+]CCC ZINC001272812498 967056781 /nfs/dbraw/zinc/05/67/81/967056781.db2.gz DTOVQMOFAFTJAQ-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cc(C#N)ncn2)cc1 ZINC001204612980 967102573 /nfs/dbraw/zinc/10/25/73/967102573.db2.gz BDTKCSWVMUQDOI-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2ccnc(C#N)n2)cc1 ZINC001204607471 967102590 /nfs/dbraw/zinc/10/25/90/967102590.db2.gz VRRZPHVWZBZBAU-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@]1(C)CCCCO1 ZINC001204640172 967108885 /nfs/dbraw/zinc/10/88/85/967108885.db2.gz CTIDJHLZWQBJHU-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)C)C1 ZINC001278547134 967246415 /nfs/dbraw/zinc/24/64/15/967246415.db2.gz MPHBBGKXBQXEMI-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)c1ccccc1C ZINC001485852342 967290326 /nfs/dbraw/zinc/29/03/26/967290326.db2.gz KXRIGKJETLGUPV-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO Cc1cc(C#N)ccc1CN1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205083510 967334297 /nfs/dbraw/zinc/33/42/97/967334297.db2.gz USHVRVBYJAHCBO-WFASDCNBSA-N 1 0 243.354 2.178 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([NH2+]CCC)[C@H]1C ZINC001486077423 967346501 /nfs/dbraw/zinc/34/65/01/967346501.db2.gz CCTNSAFGZWALCI-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)[C@@H](C)CC)C1 ZINC001486454766 967392467 /nfs/dbraw/zinc/39/24/67/967392467.db2.gz CYKLIFMSYJXCOL-HIFPTAJRSA-N 1 0 238.375 2.188 20 30 BEEDRO C[NH+](C)CCCc1cc(C#N)ccc1F ZINC001250164257 967459684 /nfs/dbraw/zinc/45/96/84/967459684.db2.gz MIVMLLNQNOJPRB-UHFFFAOYSA-N 1 0 206.264 2.192 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCC(=C)C ZINC001128409040 967542543 /nfs/dbraw/zinc/54/25/43/967542543.db2.gz QRMMROROQUOGRV-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CCCCC2)c(N)c1 ZINC001250241365 967552436 /nfs/dbraw/zinc/55/24/36/967552436.db2.gz CZRHJBRGADAMIR-UHFFFAOYSA-N 1 0 229.327 2.169 20 30 BEEDRO N#Cc1ccc(/C=C/CC[NH+]2CCOCC2)cc1 ZINC001250277503 967606009 /nfs/dbraw/zinc/60/60/09/967606009.db2.gz IHVJBILHSKXEIY-HNQUOIGGSA-N 1 0 242.322 2.294 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001273027493 967654607 /nfs/dbraw/zinc/65/46/07/967654607.db2.gz XKMLRZYJSIJHLS-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO CCn1cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001205544663 967676726 /nfs/dbraw/zinc/67/67/26/967676726.db2.gz CHJPRGQSBCPUGT-DEZZGGKRSA-N 1 0 244.342 2.170 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CCCN(CC)C1 ZINC001205551237 967691559 /nfs/dbraw/zinc/69/15/59/967691559.db2.gz OWKURDJOWINGSF-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO N#Cc1ncccc1Nc1ccc2c[nH+]cn2c1 ZINC001250324719 967706464 /nfs/dbraw/zinc/70/64/64/967706464.db2.gz ZBBPRRLFGOUPTI-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C#Cc1ccc(Nc2ccc3c[nH+]cn3c2)cn1 ZINC001250328667 967709291 /nfs/dbraw/zinc/70/92/91/967709291.db2.gz XROREXRNRYRXQD-UHFFFAOYSA-N 1 0 234.262 2.454 20 30 BEEDRO Cc1cc(NC2C[NH+](C(C)(C)C)C2)ncc1C#N ZINC001162220789 967754416 /nfs/dbraw/zinc/75/44/16/967754416.db2.gz AMMOAMVZOWGEJS-UHFFFAOYSA-N 1 0 244.342 2.156 20 30 BEEDRO C[N@@H+]1CCC[C@@H](OCCCCC#N)CC1 ZINC001205664730 967754894 /nfs/dbraw/zinc/75/48/94/967754894.db2.gz SATAFNXZADNMHT-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC)C1 ZINC001205694308 967784851 /nfs/dbraw/zinc/78/48/51/967784851.db2.gz FUKIFJBCZJFADP-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO C[NH+](C)/C=C/c1ccncc1NC1(C#N)CCC1 ZINC001162317846 967802050 /nfs/dbraw/zinc/80/20/50/967802050.db2.gz NKNPIJHFKVEUBJ-WEVVVXLNSA-N 1 0 242.326 2.472 20 30 BEEDRO C=CCC[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168752934 967814662 /nfs/dbraw/zinc/81/46/62/967814662.db2.gz WRIXYXVAIITWGJ-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)C)C1 ZINC001205778784 967821006 /nfs/dbraw/zinc/82/10/06/967821006.db2.gz WRQFGZRYVBDAAQ-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)CC[C@@H]1CN ZINC001205803504 967831252 /nfs/dbraw/zinc/83/12/52/967831252.db2.gz HGTGPRUTJMDKFQ-QWHCGFSZSA-N 1 0 210.365 2.402 20 30 BEEDRO C#Cc1cccc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205828776 967842396 /nfs/dbraw/zinc/84/23/96/967842396.db2.gz MYUDZGPUAUUYBS-XJKSGUPXSA-N 1 0 242.366 2.227 20 30 BEEDRO COC(=O)C1(C)CCC([NH2+]CCCC#N)CC1 ZINC001168759520 967885506 /nfs/dbraw/zinc/88/55/06/967885506.db2.gz WIYBYDAGFDYTBK-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC[NH2+]CC1CCC1 ZINC001493654761 968038557 /nfs/dbraw/zinc/03/85/57/968038557.db2.gz KZTPKESQMWZLRD-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCNCC[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001206110416 968067559 /nfs/dbraw/zinc/06/75/59/968067559.db2.gz XCMSSGGVNJGOTK-OLZOCXBDSA-N 1 0 210.365 2.130 20 30 BEEDRO Cc1cc(N[C@H](C)C[NH+](C)C)ccc1CC#N ZINC001163783095 968119628 /nfs/dbraw/zinc/11/96/28/968119628.db2.gz YFIKVVMNRPRIIM-GFCCVEGCSA-N 1 0 231.343 2.423 20 30 BEEDRO C=C[C@@H](OCC[NH+](C)C)c1ccccc1 ZINC001206287840 968198699 /nfs/dbraw/zinc/19/86/99/968198699.db2.gz UPDYBUBCBIBWJY-CYBMUJFWSA-N 1 0 205.301 2.492 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]C[C@@H](F)CC ZINC001165529634 968289064 /nfs/dbraw/zinc/28/90/64/968289064.db2.gz ADYLBZNCIGHNJG-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO COc1cnccc1C[NH+]1CCC(CC#N)CC1 ZINC001206473435 968327825 /nfs/dbraw/zinc/32/78/25/968327825.db2.gz OEOILDUSBMXUFM-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001084168200 968354046 /nfs/dbraw/zinc/35/40/46/968354046.db2.gz VEFWVECHWALTIK-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@H](C)O)c1ccccc1 ZINC001251975608 968418700 /nfs/dbraw/zinc/41/87/00/968418700.db2.gz YPFRNXJAQJQWBZ-WCQYABFASA-N 1 0 205.301 2.274 20 30 BEEDRO O[C@H](C[NH+]1CCC(S)CC1)c1ccccc1 ZINC001251991256 968426379 /nfs/dbraw/zinc/42/63/79/968426379.db2.gz MGLWXJAXTJIZOQ-CYBMUJFWSA-N 1 0 237.368 2.114 20 30 BEEDRO C=C(C)COC1CC[NH+](CCCOC)CC1 ZINC001206751193 968454431 /nfs/dbraw/zinc/45/44/31/968454431.db2.gz WXAGRDWYNSFXSZ-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC001119699623 968458356 /nfs/dbraw/zinc/45/83/56/968458356.db2.gz VJBRVEXSRIIHBA-UONOGXRCSA-N 1 0 241.375 2.230 20 30 BEEDRO C=C(Cl)C[NH2+]CCN(CC)C(=O)CC(C)C ZINC001273242784 968466653 /nfs/dbraw/zinc/46/66/53/968466653.db2.gz DQZYTCBXLXWLEJ-UHFFFAOYSA-N 1 0 246.782 2.223 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2cc(F)ccc2C#N)C1 ZINC001230636900 968468673 /nfs/dbraw/zinc/46/86/73/968468673.db2.gz RBOSADJBAVAPIS-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC001168766148 968496901 /nfs/dbraw/zinc/49/69/01/968496901.db2.gz QNJLBQLBSJPJSE-GFJIZPEISA-N 1 0 236.359 2.019 20 30 BEEDRO N#CCC[N@@H+](Cc1ccc[nH]c1=O)C1CCCC1 ZINC001207006648 968541337 /nfs/dbraw/zinc/54/13/37/968541337.db2.gz KVGYNENFKUJRBD-UHFFFAOYSA-N 1 0 245.326 2.445 20 30 BEEDRO CCOCC[NH2+][C@H](CC)c1cccc(C#N)c1[O-] ZINC000823330651 968543780 /nfs/dbraw/zinc/54/37/80/968543780.db2.gz RXAHVLOPUSLDBK-CYBMUJFWSA-N 1 0 248.326 2.341 20 30 BEEDRO CC#Cc1cncc(NCC(C)(C)C[NH+](C)C)c1 ZINC001168768275 968568596 /nfs/dbraw/zinc/56/85/96/968568596.db2.gz BFOUCJIOICWNMS-UHFFFAOYSA-N 1 0 245.370 2.453 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001252108740 968592093 /nfs/dbraw/zinc/59/20/93/968592093.db2.gz RPFQEXPTUCEHNE-OAHLLOKOSA-N 1 0 246.354 2.241 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]CC#CC(C)(C)C ZINC001252119202 968602669 /nfs/dbraw/zinc/60/26/69/968602669.db2.gz UUDWNGRSNWIIRB-GFCCVEGCSA-N 1 0 211.349 2.177 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H](O)CC ZINC001252135483 968608844 /nfs/dbraw/zinc/60/88/44/968608844.db2.gz DCMQSDIXZUQWFY-KGLIPLIRSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(CO)CC1 ZINC001252135729 968609843 /nfs/dbraw/zinc/60/98/43/968609843.db2.gz IAPNZAVTILCCIN-CYBMUJFWSA-N 1 0 243.391 2.212 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1CCOC1 ZINC001252131791 968610190 /nfs/dbraw/zinc/61/01/90/968610190.db2.gz VVAZATXSWNXWQO-KBPBESRZSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC001252139428 968610199 /nfs/dbraw/zinc/61/01/99/968610199.db2.gz KAGXJKOMQDKVJU-KGLIPLIRSA-N 1 0 245.407 2.458 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCCCC ZINC001154652002 968624835 /nfs/dbraw/zinc/62/48/35/968624835.db2.gz SAJATGWKVWJKRT-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001207294740 968719678 /nfs/dbraw/zinc/71/96/78/968719678.db2.gz UOJMSAFJRUHPIB-XDQVBPFNSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001207300237 968723400 /nfs/dbraw/zinc/72/34/00/968723400.db2.gz ZIOSXPSYKOIWTP-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001252472699 968733538 /nfs/dbraw/zinc/73/35/38/968733538.db2.gz XSZLERSVTXPBDV-MGPQQGTHSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC001252486524 968744267 /nfs/dbraw/zinc/74/42/67/968744267.db2.gz YZZQLHNLJDYZCW-HUUCEWRRSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C(C)c1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001240836386 968745127 /nfs/dbraw/zinc/74/51/27/968745127.db2.gz HKJXPLZXXXAGBT-CQSZACIVSA-N 1 0 216.328 2.253 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]CCCC1CCCC1 ZINC001252488340 968746750 /nfs/dbraw/zinc/74/67/50/968746750.db2.gz KZNXNTABOZRPFW-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C(C)c1ccc(C(=O)NC2CC[NH2+]CC2)cc1 ZINC001240836439 968751031 /nfs/dbraw/zinc/75/10/31/968751031.db2.gz KAMZEOIOXQLQGQ-UHFFFAOYSA-N 1 0 244.338 2.202 20 30 BEEDRO C=C(C)c1ccc(C[C@@H](C[NH3+])C(=O)OC)cc1 ZINC001240836466 968751619 /nfs/dbraw/zinc/75/16/19/968751619.db2.gz LLRYVYRZDJVEDS-ZDUSSCGKSA-N 1 0 233.311 2.010 20 30 BEEDRO C=C(C)c1cccc2c1C1(CC[NH2+]CC1)C(=O)N2 ZINC001240836855 968758675 /nfs/dbraw/zinc/75/86/75/968758675.db2.gz FWORTWCJKCEPNE-UHFFFAOYSA-N 1 0 242.322 2.293 20 30 BEEDRO C=C(C)c1ccc(CN2CC[NH+](CC)CC2)cn1 ZINC001240838218 968759296 /nfs/dbraw/zinc/75/92/96/968759296.db2.gz ZFWQMZDZCFPUGC-UHFFFAOYSA-N 1 0 245.370 2.252 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccccc1C ZINC001252538632 968771748 /nfs/dbraw/zinc/77/17/48/968771748.db2.gz JVXPXOWVJRJROW-CYBMUJFWSA-N 1 0 205.301 2.022 20 30 BEEDRO COc1ccccc1CC[NH+]1CCC(C#N)CC1 ZINC001207453434 968774144 /nfs/dbraw/zinc/77/41/44/968774144.db2.gz JTJYYXFWZQNLHW-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccc(F)cc1 ZINC001252541338 968774485 /nfs/dbraw/zinc/77/44/85/968774485.db2.gz JDKVKPRNBVMQBU-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@H]1CCCOC1 ZINC001207467207 968789657 /nfs/dbraw/zinc/78/96/57/968789657.db2.gz CGDSFLSWIZXPMW-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCc2sccc2C1 ZINC001252550909 968790631 /nfs/dbraw/zinc/79/06/31/968790631.db2.gz RHIQBEFBDLPATJ-GFCCVEGCSA-N 1 0 223.341 2.043 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2ccncc2)CC1 ZINC001252555647 968796015 /nfs/dbraw/zinc/79/60/15/968796015.db2.gz ZMLJOGNRCXQKTC-OAHLLOKOSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCCc2ccccc2C1 ZINC001252554504 968797057 /nfs/dbraw/zinc/79/70/57/968797057.db2.gz HXQPACZVIJOPCJ-HNNXBMFYSA-N 1 0 231.339 2.372 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCCc1ccccc1 ZINC001252555005 968797347 /nfs/dbraw/zinc/79/73/47/968797347.db2.gz NRVVRPSNBRXXAJ-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCc1ccc(F)cc1 ZINC001252554684 968798079 /nfs/dbraw/zinc/79/80/79/968798079.db2.gz JRRIWARCAZFSOS-AWEZNQCLSA-N 1 0 237.318 2.237 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC001252556903 968800167 /nfs/dbraw/zinc/80/01/67/968800167.db2.gz GBGFBKIYEPPPHD-XQQFMLRXSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CC2CCC(CC2)C1 ZINC001252557652 968801128 /nfs/dbraw/zinc/80/11/28/968801128.db2.gz JJSNXFLSICLMBQ-WXRRBKDZSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@](C)(O)CNc1ccc(C[NH+](C)C)cc1 ZINC001252559719 968804219 /nfs/dbraw/zinc/80/42/19/968804219.db2.gz BJUNWUFJXRLBBZ-AWEZNQCLSA-N 1 0 234.343 2.097 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccccc1C[NH+](C)C ZINC001252565301 968813808 /nfs/dbraw/zinc/81/38/08/968813808.db2.gz QRHXRXMTZAQEJR-CQSZACIVSA-N 1 0 234.343 2.097 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1c[nH]c2ccccc12 ZINC001252568033 968817738 /nfs/dbraw/zinc/81/77/38/968817738.db2.gz HGIMWQUUQYZXHV-AWEZNQCLSA-N 1 0 230.311 2.195 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000829179876 968821387 /nfs/dbraw/zinc/82/13/87/968821387.db2.gz PUEVUMLNTBRAPZ-OUAUKWLOSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179151 968821981 /nfs/dbraw/zinc/82/19/81/968821981.db2.gz KIKWVLCQZRXJAG-RYUDHWBXSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCCOC1 ZINC000829179983 968822024 /nfs/dbraw/zinc/82/20/24/968822024.db2.gz QPABKMLYRUPXQN-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCSCc1ccco1 ZINC001252572309 968822473 /nfs/dbraw/zinc/82/24/73/968822473.db2.gz PKHVHYQZDYGMIV-GFCCVEGCSA-N 1 0 241.356 2.039 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001252572582 968822731 /nfs/dbraw/zinc/82/27/31/968822731.db2.gz SGCFSYJJCPPDGS-FZMZJTMJSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(CC)cc1 ZINC001252572085 968822963 /nfs/dbraw/zinc/82/29/63/968822963.db2.gz MWQTVXQXHICLCX-HNNXBMFYSA-N 1 0 233.355 2.318 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001252575109 968824448 /nfs/dbraw/zinc/82/44/48/968824448.db2.gz VDSHYMNESDFVPW-WRHSUISWSA-N 1 0 235.371 2.482 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC001252576782 968827427 /nfs/dbraw/zinc/82/74/27/968827427.db2.gz OCEDHGROQKQKOZ-UKRRQHHQSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](CC)c1ccncc1 ZINC001252575567 968828598 /nfs/dbraw/zinc/82/85/98/968828598.db2.gz DCBDIGFMJGITQG-STQMWFEESA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001252578605 968829397 /nfs/dbraw/zinc/82/93/97/968829397.db2.gz RUUPCHPJANLPMN-AWEZNQCLSA-N 1 0 242.322 2.074 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)c1cccc(C)n1 ZINC001252580864 968832491 /nfs/dbraw/zinc/83/24/91/968832491.db2.gz VFIVEXSRQSODTL-OAHLLOKOSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001252582915 968834841 /nfs/dbraw/zinc/83/48/41/968834841.db2.gz YXRVYGCWWLWIJB-CYBMUJFWSA-N 1 0 235.302 2.341 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C1CC(F)(F)C1 ZINC001252589939 968844921 /nfs/dbraw/zinc/84/49/21/968844921.db2.gz UQJDRRHPRNONED-JTQLQIEISA-N 1 0 219.275 2.043 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001252581768 968836082 /nfs/dbraw/zinc/83/60/82/968836082.db2.gz JJPAUMIWJZOIEH-UONOGXRCSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2ccc(F)cc2C1 ZINC001252584064 968837735 /nfs/dbraw/zinc/83/77/35/968837735.db2.gz XJDGESBNZRBYOT-GJZGRUSLSA-N 1 0 249.329 2.210 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@H]1CCc2ccccc2C1 ZINC001252583728 968838545 /nfs/dbraw/zinc/83/85/45/968838545.db2.gz QZXPRPLUYJYMIY-BBRMVZONSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1cccs1 ZINC001252586478 968839317 /nfs/dbraw/zinc/83/93/17/968839317.db2.gz IQXJBHFFKCOAMA-LLVKDONJSA-N 1 0 225.357 2.207 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(N(C)C)c1 ZINC001252586014 968839496 /nfs/dbraw/zinc/83/94/96/968839496.db2.gz WSEKWYDOLBLSOB-SWLSCSKDSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cncc2ccccc21 ZINC001252585560 968840731 /nfs/dbraw/zinc/84/07/31/968840731.db2.gz QNPDYEBFNWFAQE-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc2cccc(F)c2[nH]1 ZINC001252586333 968840792 /nfs/dbraw/zinc/84/07/92/968840792.db2.gz ZBWJAFQWEJBJFB-CQSZACIVSA-N 1 0 248.301 2.334 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(C)o1 ZINC001252587569 968843347 /nfs/dbraw/zinc/84/33/47/968843347.db2.gz TVUFSZOYLKLWFA-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCC[C@@H](O)CNc1ccc2[nH+]ccn2c1 ZINC001252589736 968845400 /nfs/dbraw/zinc/84/54/00/968845400.db2.gz YJRSNUWUIOODTH-GFCCVEGCSA-N 1 0 231.299 2.073 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(C)s1 ZINC001252588737 968845969 /nfs/dbraw/zinc/84/59/69/968845969.db2.gz FBGZNJNZRMTGDN-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@H](O)CNc1c[nH+]c2ccccn12 ZINC001252590824 968847656 /nfs/dbraw/zinc/84/76/56/968847656.db2.gz CKWGSCNNMZXPQF-NSHDSACASA-N 1 0 231.299 2.073 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)CCC=C)C1 ZINC001207656626 968854262 /nfs/dbraw/zinc/85/42/62/968854262.db2.gz KANFNLROGOFGMT-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1CCOC ZINC001252599710 968855810 /nfs/dbraw/zinc/85/58/10/968855810.db2.gz GPMVKFQMIAWYOI-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCOC ZINC001252599713 968856656 /nfs/dbraw/zinc/85/66/56/968856656.db2.gz GPMVKFQMIAWYOI-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CC(c2ccccc2)C1 ZINC001252603340 968859506 /nfs/dbraw/zinc/85/95/06/968859506.db2.gz TUPBQPFSDGIWOC-HNNXBMFYSA-N 1 0 231.339 2.413 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252602586 968860155 /nfs/dbraw/zinc/86/01/55/968860155.db2.gz VBBVGSBJNASUMN-ZDUSSCGKSA-N 1 0 247.338 2.077 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CCCCCO)C(C)C ZINC001252602540 968861027 /nfs/dbraw/zinc/86/10/27/968861027.db2.gz TYJQQHCYCDOZJK-CQSZACIVSA-N 1 0 243.391 2.187 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(Br)CC2)C1 ZINC001207712030 968864216 /nfs/dbraw/zinc/86/42/16/968864216.db2.gz SGYIUMOSGOAJEB-DTWKUNHWSA-N 1 0 243.148 2.196 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001252614622 968872517 /nfs/dbraw/zinc/87/25/17/968872517.db2.gz NALBORGQOJWBRI-OAHLLOKOSA-N 1 0 244.338 2.017 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCCc1ccccn1 ZINC001252617135 968874657 /nfs/dbraw/zinc/87/46/57/968874657.db2.gz YZNQEUPZCMFYBE-OAHLLOKOSA-N 1 0 248.370 2.321 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCOc1ccccc1 ZINC001252616147 968875993 /nfs/dbraw/zinc/87/59/93/968875993.db2.gz KRTOLBZAUSHLMM-AWEZNQCLSA-N 1 0 249.354 2.372 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC001252615957 968876051 /nfs/dbraw/zinc/87/60/51/968876051.db2.gz JAWSLFKUPWCEKI-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001252618288 968877576 /nfs/dbraw/zinc/87/75/76/968877576.db2.gz QWFCAIZPFYKIRV-DOMZBBRYSA-N 1 0 249.354 2.412 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cn1 ZINC001252617744 968877830 /nfs/dbraw/zinc/87/78/30/968877830.db2.gz JMIPRYXEDFWELQ-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCc2ncccc21 ZINC001252617571 968878537 /nfs/dbraw/zinc/87/85/37/968878537.db2.gz FVMMKICOCDEXOQ-IUODEOHRSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1COCc2ccccc21 ZINC001252621079 968882160 /nfs/dbraw/zinc/88/21/60/968882160.db2.gz VYIWMNMSJVNLLH-DZGCQCFKSA-N 1 0 247.338 2.175 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(COC)cc1 ZINC001252622682 968882616 /nfs/dbraw/zinc/88/26/16/968882616.db2.gz YRPCTXMSTCHYRD-HNNXBMFYSA-N 1 0 249.354 2.250 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1ccccn1 ZINC001252621136 968882741 /nfs/dbraw/zinc/88/27/41/968882741.db2.gz XCHBTXBHTWKWJG-LBPRGKRZSA-N 1 0 234.343 2.233 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001252621112 968884170 /nfs/dbraw/zinc/88/41/70/968884170.db2.gz WPWWMSGCJVXDHB-SNVBAGLBSA-N 1 0 236.340 2.036 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001252624397 968885159 /nfs/dbraw/zinc/88/51/59/968885159.db2.gz DVZMFFRZZDKORC-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001252623833 968886310 /nfs/dbraw/zinc/88/63/10/968886310.db2.gz RILUOFIENQBKRA-GJZGRUSLSA-N 1 0 249.329 2.210 20 30 BEEDRO C=CCC1(O)C[NH+](CC2Cc3ccccc3C2)C1 ZINC001207798545 968887460 /nfs/dbraw/zinc/88/74/60/968887460.db2.gz MVUKNHQMYKJKNL-UHFFFAOYSA-N 1 0 243.350 2.024 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001086026458 968912443 /nfs/dbraw/zinc/91/24/43/968912443.db2.gz LTDHCSYCQQOSRI-MCIONIFRSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001207915210 968930775 /nfs/dbraw/zinc/93/07/75/968930775.db2.gz UYUIMXABGJQGGC-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](O)COC ZINC001252816318 969015816 /nfs/dbraw/zinc/01/58/16/969015816.db2.gz CDQYKONWHHXBFI-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO C[C@H]1CC(=NNCc2ccc(F)cc2)CC[N@@H+]1C ZINC001253072047 969076385 /nfs/dbraw/zinc/07/63/85/969076385.db2.gz WQEUGMBPRUEIGT-NSHDSACASA-N 1 0 249.333 2.385 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@H](C)CCC ZINC001155875849 969110177 /nfs/dbraw/zinc/11/01/77/969110177.db2.gz UCCNHNSWDHCFMB-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H](O)CC ZINC001253247386 969121109 /nfs/dbraw/zinc/12/11/09/969121109.db2.gz ISYBTXCPEFNZNV-KGLIPLIRSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H](C)CO ZINC001253248810 969123577 /nfs/dbraw/zinc/12/35/77/969123577.db2.gz CERJPFDOERSNBX-UONOGXRCSA-N 1 0 243.391 2.092 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H](C)OC ZINC001253251205 969124059 /nfs/dbraw/zinc/12/40/59/969124059.db2.gz HZHIGWUFPKOARB-UONOGXRCSA-N 1 0 243.391 2.498 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H](O)CCCCCCC=C ZINC001253250517 969124070 /nfs/dbraw/zinc/12/40/70/969124070.db2.gz BCDNNDVVFOZPBJ-KGLIPLIRSA-N 1 0 223.360 2.485 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253289198 969130334 /nfs/dbraw/zinc/13/03/34/969130334.db2.gz LICRVJDNLQNAET-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO CCCCC[C@H](O)C[NH+]1CCC(S)CC1 ZINC001253535014 969209381 /nfs/dbraw/zinc/20/93/81/969209381.db2.gz HLICDXZIUVPSCY-NSHDSACASA-N 1 0 231.405 2.322 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccccc1N(C)C ZINC001242178761 969217846 /nfs/dbraw/zinc/21/78/46/969217846.db2.gz SQWZDTFGYCOHQW-WYMLVPIESA-N 1 0 218.300 2.332 20 30 BEEDRO CCCCC[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC001253559286 969231211 /nfs/dbraw/zinc/23/12/11/969231211.db2.gz JKSXYKAOMBZAAD-NSHDSACASA-N 1 0 236.315 2.182 20 30 BEEDRO C#CCN1CC[NH+](Cc2cc(C)ccc2C)CC1 ZINC000089946175 969236416 /nfs/dbraw/zinc/23/64/16/969236416.db2.gz APANBFAXPOALHZ-UHFFFAOYSA-N 1 0 242.366 2.054 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](CC)CCC(=O)OC ZINC001208795710 969245894 /nfs/dbraw/zinc/24/58/94/969245894.db2.gz FVLHOTQRLKPXIU-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)cc(C#N)c2)CC1 ZINC001208837972 969247756 /nfs/dbraw/zinc/24/77/56/969247756.db2.gz LZJBDFCSYBGBFO-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C[N@H+]1CC=C(Nc2cccc(F)c2C#N)CC1 ZINC001208837962 969249918 /nfs/dbraw/zinc/24/99/18/969249918.db2.gz LNRXTQCPHPLQKN-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC001253578637 969252770 /nfs/dbraw/zinc/25/27/70/969252770.db2.gz FXOVZJXAYRSBIM-CYBMUJFWSA-N 1 0 239.746 2.361 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)ccc2C#N)CC1 ZINC001208844067 969254265 /nfs/dbraw/zinc/25/42/65/969254265.db2.gz KTCBGUAWLXCMMB-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO CC(=O)C[N@H+](C)CCCc1cccc(C#N)c1 ZINC001208843924 969256607 /nfs/dbraw/zinc/25/66/07/969256607.db2.gz BHWKYTCHICBGOQ-UHFFFAOYSA-N 1 0 230.311 2.012 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001253580901 969256958 /nfs/dbraw/zinc/25/69/58/969256958.db2.gz AUDMJIAELLYOMB-KBPBESRZSA-N 1 0 232.327 2.074 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001208844986 969257138 /nfs/dbraw/zinc/25/71/38/969257138.db2.gz NAVZSFJECRGVDF-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(OC)cc1 ZINC001253581990 969257393 /nfs/dbraw/zinc/25/73/93/969257393.db2.gz LOJLNCXBVXKXTA-HIFRSBDPSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001253580910 969257462 /nfs/dbraw/zinc/25/74/62/969257462.db2.gz AUDMJIAELLYOMB-UONOGXRCSA-N 1 0 232.327 2.074 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001253582634 969259402 /nfs/dbraw/zinc/25/94/02/969259402.db2.gz RJYINUMIUKIMOI-GJZGRUSLSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001253584606 969261025 /nfs/dbraw/zinc/26/10/25/969261025.db2.gz ONAASFGJPMDQAN-GXTWGEPZSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)C(C)(C)Cc1ccccc1 ZINC001253586264 969267600 /nfs/dbraw/zinc/26/76/00/969267600.db2.gz KQUNNBZPWXMOJI-CQSZACIVSA-N 1 0 233.355 2.486 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001253586768 969271146 /nfs/dbraw/zinc/27/11/46/969271146.db2.gz RVHVYJRQZNSDAN-AWEZNQCLSA-N 1 0 247.338 2.119 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001253587142 969271588 /nfs/dbraw/zinc/27/15/88/969271588.db2.gz ZTMKTKYSYZOJEE-FRRDWIJNSA-N 1 0 229.323 2.120 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(CC2CCC2)CC1 ZINC001253606577 969306369 /nfs/dbraw/zinc/30/63/69/969306369.db2.gz KGBYLKSSAUYHLP-GFCCVEGCSA-N 1 0 209.333 2.093 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1cccc(Cl)c1 ZINC001253597217 969288674 /nfs/dbraw/zinc/28/86/74/969288674.db2.gz BYSRWURWSXXVRJ-GFCCVEGCSA-N 1 0 225.719 2.019 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001253598472 969290158 /nfs/dbraw/zinc/29/01/58/969290158.db2.gz UPRMWGOBUWRSPI-SSDOTTSWSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001253598225 969290545 /nfs/dbraw/zinc/29/05/45/969290545.db2.gz QLESYPWETSIHMP-ZETCQYMHSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1F ZINC001253598536 969291064 /nfs/dbraw/zinc/29/10/64/969291064.db2.gz VKRZVMOANIQCJB-VHSXEESVSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(F)ccc1Cl ZINC001253600999 969294317 /nfs/dbraw/zinc/29/43/17/969294317.db2.gz JCQPMOCLVBVRPZ-SNVBAGLBSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC001253600028 969294388 /nfs/dbraw/zinc/29/43/88/969294388.db2.gz WATWFAZCHHCUSE-VIFPVBQESA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(CCC)cc1 ZINC001253600491 969294987 /nfs/dbraw/zinc/29/49/87/969294987.db2.gz BFZMYRHSXUFGIX-AWEZNQCLSA-N 1 0 219.328 2.276 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001253602132 969296395 /nfs/dbraw/zinc/29/63/95/969296395.db2.gz CTFMZFBFOYIIQT-GFCCVEGCSA-N 1 0 237.730 2.466 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1cccc(OCC)c1 ZINC001253605648 969302078 /nfs/dbraw/zinc/30/20/78/969302078.db2.gz VOOUEEHCEDUSMB-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001253606242 969302436 /nfs/dbraw/zinc/30/24/36/969302436.db2.gz CQPGABKZJIFWMO-UWVGGRQHSA-N 1 0 231.286 2.091 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001253605842 969302867 /nfs/dbraw/zinc/30/28/67/969302867.db2.gz XONJVVGKFKQQQR-SCZZXKLOSA-N 1 0 227.254 2.162 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC(C)(C)C(=O)CC)C1 ZINC001208920649 969305648 /nfs/dbraw/zinc/30/56/48/969305648.db2.gz OJFMFWULVXLGCJ-LBPRGKRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1ccccc1C ZINC001253607271 969305886 /nfs/dbraw/zinc/30/58/86/969305886.db2.gz TZNDAAXFGPTNOA-CQSZACIVSA-N 1 0 233.355 2.453 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCCc1ccccc1 ZINC001253607747 969308000 /nfs/dbraw/zinc/30/80/00/969308000.db2.gz DYYQFRYHEGDVLI-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO N#Cc1ccc(CC[N@H+]2CCCC(=O)CC2)cc1 ZINC001208925711 969308129 /nfs/dbraw/zinc/30/81/29/969308129.db2.gz NYYBWELBZDHSBO-UHFFFAOYSA-N 1 0 242.322 2.156 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959666 969309284 /nfs/dbraw/zinc/30/92/84/969309284.db2.gz XTUCCSNWVKFYML-RYUDHWBXSA-N 1 0 238.331 2.213 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](c1ccccc1OC)C1CC1 ZINC001253610795 969312033 /nfs/dbraw/zinc/31/20/33/969312033.db2.gz IRWUTNSZUIEPHS-DOMZBBRYSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(CC)CCC(F)(F)CC1 ZINC001253610540 969312527 /nfs/dbraw/zinc/31/25/27/969312527.db2.gz UGPLTPOXDWOIOM-JTQLQIEISA-N 1 0 233.302 2.481 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](c1ccccc1OC)C1CC1 ZINC001253610796 969312617 /nfs/dbraw/zinc/31/26/17/969312617.db2.gz IRWUTNSZUIEPHS-WFASDCNBSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(CC)CCC(F)(F)CC1 ZINC001253610541 969313261 /nfs/dbraw/zinc/31/32/61/969313261.db2.gz UGPLTPOXDWOIOM-SNVBAGLBSA-N 1 0 233.302 2.481 20 30 BEEDRO CCC[N@H+](CCC#N)CC(C)(C)OCC ZINC001209071826 969346361 /nfs/dbraw/zinc/34/63/61/969346361.db2.gz GAEGLMOXXQQYMV-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](O)(CF)CC1 ZINC001209157690 969362273 /nfs/dbraw/zinc/36/22/73/969362273.db2.gz ZUAJVPKWNLOWER-LBPRGKRZSA-N 1 0 215.312 2.139 20 30 BEEDRO C=CCCC[N@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC001209162977 969364129 /nfs/dbraw/zinc/36/41/29/969364129.db2.gz QZSJGVNPFZTTBN-UHFFFAOYSA-N 1 0 232.327 2.154 20 30 BEEDRO C=CCCC[NH+]1CCC(NC(=O)OCC)CC1 ZINC001209164449 969364422 /nfs/dbraw/zinc/36/44/22/969364422.db2.gz ZYIVVWVMANVYMZ-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](Oc2nccc(C)n2)C1 ZINC001209164654 969364539 /nfs/dbraw/zinc/36/45/39/969364539.db2.gz FTLZEZNAZROKIS-CYBMUJFWSA-N 1 0 247.342 2.204 20 30 BEEDRO Cc1ccc(C(=[NH2+])NC[C@@H](O)C(C)(C)C)cc1C ZINC001253748694 969366588 /nfs/dbraw/zinc/36/65/88/969366588.db2.gz LCRKACCMTQREFL-CYBMUJFWSA-N 1 0 248.370 2.416 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](Oc2nccnc2C)C1 ZINC001209164111 969366545 /nfs/dbraw/zinc/36/65/45/969366545.db2.gz SWAXHARGGQVHFV-CYBMUJFWSA-N 1 0 247.342 2.204 20 30 BEEDRO Cc1ccc(C(=[NH2+])NC[C@H](O)C(C)(C)C)cc1C ZINC001253748695 969367072 /nfs/dbraw/zinc/36/70/72/969367072.db2.gz LCRKACCMTQREFL-ZDUSSCGKSA-N 1 0 248.370 2.416 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001209208193 969396691 /nfs/dbraw/zinc/39/66/91/969396691.db2.gz MCZWSKOLSHPYTK-LBPRGKRZSA-N 1 0 237.343 2.228 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC1(C#N)CCCC1)C2 ZINC001169078445 969400693 /nfs/dbraw/zinc/40/06/93/969400693.db2.gz FPIOAGHUZRQLQX-BTTYYORXSA-N 1 0 247.386 2.285 20 30 BEEDRO Cc1ccc(C(=[NH2+])NC[C@H](O)C(C)C)cc1C ZINC001253789508 969409360 /nfs/dbraw/zinc/40/93/60/969409360.db2.gz HFDXROMREQUWJH-ZDUSSCGKSA-N 1 0 234.343 2.026 20 30 BEEDRO C#CCCC[N@H+](C1CCC1)C1CCOCC1 ZINC001209268426 969419747 /nfs/dbraw/zinc/41/97/47/969419747.db2.gz IKVHCIJLLJZEME-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO CC(C)C[C@H](C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108553 969447382 /nfs/dbraw/zinc/44/73/82/969447382.db2.gz BCVQVJILXBUJIB-YIYPIFLZSA-N 1 0 235.375 2.139 20 30 BEEDRO CCC[C@@](C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109534 969449357 /nfs/dbraw/zinc/44/93/57/969449357.db2.gz CUAARVHNFKDLRT-FQUUOJAGSA-N 1 0 235.375 2.284 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@@H](CC#N)C1)C2 ZINC001169141341 969453944 /nfs/dbraw/zinc/45/39/44/969453944.db2.gz PVZWHTBCFDYPFZ-XQLPTFJDSA-N 1 0 247.386 2.237 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H]([NH+]1CCC[C@H](CC#N)C1)C2 ZINC001169141336 969454020 /nfs/dbraw/zinc/45/40/20/969454020.db2.gz PVZWHTBCFDYPFZ-APIJFGDWSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CCN(CC=C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142159 969456462 /nfs/dbraw/zinc/45/64/62/969456462.db2.gz ACEMYUJVOSQGES-WDNDVIMCSA-N 1 0 220.360 2.286 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001209423364 969492886 /nfs/dbraw/zinc/49/28/86/969492886.db2.gz MXASCQBEBFLMOW-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[NH+]1CC(C(=O)OCC)C1 ZINC001209427313 969497510 /nfs/dbraw/zinc/49/75/10/969497510.db2.gz NWOULEXPNBPXEE-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCNC(=O)C1(C)C ZINC001209435850 969507206 /nfs/dbraw/zinc/50/72/06/969507206.db2.gz KGXXWMYCQJRSJS-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCCC[N@H+]1CCc2nncn2CC1 ZINC001209435414 969507853 /nfs/dbraw/zinc/50/78/53/969507853.db2.gz JGDDUELXNFLGEB-UHFFFAOYSA-N 1 0 248.374 2.273 20 30 BEEDRO Cc1cc(-n2ccc([C@@H](C)[NH3+])n2)ccc1CC#N ZINC001169232309 969510079 /nfs/dbraw/zinc/51/00/79/969510079.db2.gz DAYAJYXQYWSWMK-LLVKDONJSA-N 1 0 240.310 2.267 20 30 BEEDRO Cc1cccc(-n2ccc([C@@H](C)[NH3+])n2)c1C#N ZINC001169232505 969510098 /nfs/dbraw/zinc/51/00/98/969510098.db2.gz GIJLVYOZQWGKMD-SNVBAGLBSA-N 1 0 226.283 2.072 20 30 BEEDRO Cc1cc(CC#N)ccc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169233865 969515970 /nfs/dbraw/zinc/51/59/70/969515970.db2.gz SYOKCOLZKVFWMZ-LLVKDONJSA-N 1 0 240.310 2.267 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C(C)(C)CC)C1CC1 ZINC001276648577 969529635 /nfs/dbraw/zinc/52/96/35/969529635.db2.gz PCILAGCDPZVART-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)c(O)c(OC)c1 ZINC001209530014 969534502 /nfs/dbraw/zinc/53/45/02/969534502.db2.gz HBLYKCKPPRLFNG-UHFFFAOYSA-N 1 0 225.263 2.158 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(CO)cc1)CC1CC1 ZINC001254312565 969554562 /nfs/dbraw/zinc/55/45/62/969554562.db2.gz ASMVXUDMSGYXPH-UHFFFAOYSA-N 1 0 229.323 2.024 20 30 BEEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC001254365147 969579207 /nfs/dbraw/zinc/57/92/07/969579207.db2.gz BAHLKSSKMFMCBH-IUODEOHRSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cnccc1N ZINC001209737880 969599766 /nfs/dbraw/zinc/59/97/66/969599766.db2.gz SVNUNZYHAOIJOI-UHFFFAOYSA-N 1 0 219.332 2.282 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1ccc(O)c(C#N)c1 ZINC001209968526 969735284 /nfs/dbraw/zinc/73/52/84/969735284.db2.gz CJTDDXPPSGLROL-UHFFFAOYSA-N 1 0 240.266 2.293 20 30 BEEDRO C#CC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254544895 969736962 /nfs/dbraw/zinc/73/69/62/969736962.db2.gz YSQJIFHNJDFZEU-LLVKDONJSA-N 1 0 244.294 2.281 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC001254565011 969739611 /nfs/dbraw/zinc/73/96/11/969739611.db2.gz JDJNDQLOZQURQT-LBPRGKRZSA-N 1 0 222.332 2.203 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254617154 969748164 /nfs/dbraw/zinc/74/81/64/969748164.db2.gz RNEFDXNRQSYXLT-GFCCVEGCSA-N 1 0 246.329 2.406 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254617155 969750102 /nfs/dbraw/zinc/75/01/02/969750102.db2.gz RNEFDXNRQSYXLT-LBPRGKRZSA-N 1 0 246.329 2.406 20 30 BEEDRO CCCCC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254641934 969756150 /nfs/dbraw/zinc/75/61/50/969756150.db2.gz BTIONIKIKRTNTO-SRVKXCTJSA-N 1 0 222.332 2.416 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001254644414 969757977 /nfs/dbraw/zinc/75/79/77/969757977.db2.gz SAFZWDOSCQWMFI-OLZOCXBDSA-N 1 0 241.338 2.395 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)/C(C)=C\C ZINC001156342322 969760374 /nfs/dbraw/zinc/76/03/74/969760374.db2.gz ABCNWGOMJYVNEK-TZQNSNDFSA-N 1 0 238.375 2.403 20 30 BEEDRO CC(C)Cn1cnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC001254646963 969761405 /nfs/dbraw/zinc/76/14/05/969761405.db2.gz DMKZNWHWGSDWFB-OLZOCXBDSA-N 1 0 246.358 2.321 20 30 BEEDRO CCC[N@H+](CCOC)[C@@H]1CC[C@@H](C#N)C1 ZINC001254652225 969763249 /nfs/dbraw/zinc/76/32/49/969763249.db2.gz BGHSQYDGAAALOF-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@H]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001254654764 969764755 /nfs/dbraw/zinc/76/47/55/969764755.db2.gz AFFOVUCBYALJJN-GXSJLCMTSA-N 1 0 233.290 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001254654386 969765178 /nfs/dbraw/zinc/76/51/78/969765178.db2.gz UNURFHJTDAHXJD-DGCLKSJQSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H](CO)c2cccc(F)c2)C1 ZINC001254656695 969765707 /nfs/dbraw/zinc/76/57/07/969765707.db2.gz LJEBUBURPIHPOO-LEWSCRJBSA-N 1 0 248.301 2.141 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001254654387 969766383 /nfs/dbraw/zinc/76/63/83/969766383.db2.gz UNURFHJTDAHXJD-WCQYABFASA-N 1 0 240.310 2.116 20 30 BEEDRO O/N=C/c1cccc(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169568459 969767584 /nfs/dbraw/zinc/76/75/84/969767584.db2.gz XFDCQNWSWYPQDY-HMHNVIDESA-N 1 0 233.315 2.049 20 30 BEEDRO C[C@H]1C[C@@H](CF)[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254661142 969770564 /nfs/dbraw/zinc/77/05/64/969770564.db2.gz PNQDVSVCCXAVTB-BJDJZHNGSA-N 1 0 210.296 2.359 20 30 BEEDRO CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254667149 969774088 /nfs/dbraw/zinc/77/40/88/969774088.db2.gz AGEIFPGTNWGSJI-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001254663761 969774866 /nfs/dbraw/zinc/77/48/66/969774866.db2.gz DLVIFBYOKKKNGJ-NIFZNCRKSA-N 1 0 248.370 2.426 20 30 BEEDRO N#C[C@H]1CC[C@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001254674230 969781539 /nfs/dbraw/zinc/78/15/39/969781539.db2.gz VUSOMZDCNQFRKI-SOUVJXGZSA-N 1 0 247.386 2.239 20 30 BEEDRO CC[N@@H+]1CCN([C@H]2CC[C@@H](C#N)C2)C(C)(C)C1 ZINC001254678667 969785950 /nfs/dbraw/zinc/78/59/50/969785950.db2.gz GTKVJLJHTBSXHJ-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001169626049 969789054 /nfs/dbraw/zinc/78/90/54/969789054.db2.gz RCVBHRXFBAZHFH-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169644985 969797194 /nfs/dbraw/zinc/79/71/94/969797194.db2.gz KPUDKYHERAOKSN-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCN(CC=C)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254859096 969810812 /nfs/dbraw/zinc/81/08/12/969810812.db2.gz BAVKDIYKPLNFHA-AWEZNQCLSA-N 1 0 220.360 2.145 20 30 BEEDRO CCCN(CCC#N)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254860662 969811407 /nfs/dbraw/zinc/81/14/07/969811407.db2.gz BBAQJHUGURYHHJ-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cccc(C[NH+](C)C)n1 ZINC001169698221 969811572 /nfs/dbraw/zinc/81/15/72/969811572.db2.gz RSEGKSLHSPBERZ-AWEZNQCLSA-N 1 0 231.343 2.357 20 30 BEEDRO Cn1cc[nH+]c1NC1=CC(=O)CC(C)(C)C1 ZINC001210150156 969813844 /nfs/dbraw/zinc/81/38/44/969813844.db2.gz PTIXRDVZRAQEBU-UHFFFAOYSA-N 1 0 219.288 2.105 20 30 BEEDRO CCCCN(CC#N)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254863819 969814430 /nfs/dbraw/zinc/81/44/30/969814430.db2.gz KUSSZYZFXFHZCW-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CCC1 ZINC001254914802 969815796 /nfs/dbraw/zinc/81/57/96/969815796.db2.gz OFVVRHRMMVLZIC-GDNZZTSVSA-N 1 0 232.327 2.028 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CCCC1 ZINC001254913499 969816079 /nfs/dbraw/zinc/81/60/79/969816079.db2.gz CVLUHIVEMUNIBA-VXGBXAGGSA-N 1 0 246.354 2.418 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CCCC1 ZINC001254913498 969817505 /nfs/dbraw/zinc/81/75/05/969817505.db2.gz CVLUHIVEMUNIBA-RYUDHWBXSA-N 1 0 246.354 2.418 20 30 BEEDRO Cc1cc(CC#N)ccc1-n1ccc(C[NH3+])c1 ZINC001169726612 969819171 /nfs/dbraw/zinc/81/91/71/969819171.db2.gz WHPVTVRAKKCJOP-UHFFFAOYSA-N 1 0 225.295 2.311 20 30 BEEDRO C/C(=N\O)c1ccc(-n2ccc(C[NH3+])c2)cc1 ZINC001169726077 969819501 /nfs/dbraw/zinc/81/95/01/969819501.db2.gz QNRPRQDPHGCKOO-XNTDXEJSSA-N 1 0 229.283 2.134 20 30 BEEDRO C#C[C@](C)(CC)Nc1ccc([C@H](C)[NH3+])nc1 ZINC001169700252 969822440 /nfs/dbraw/zinc/82/24/40/969822440.db2.gz LNDQAVSDKSLMRG-GXFFZTMASA-N 1 0 217.316 2.315 20 30 BEEDRO C#CC1CC[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254961891 969842503 /nfs/dbraw/zinc/84/25/03/969842503.db2.gz YVRGLXYBSXXQFY-CHWSQXEVSA-N 1 0 231.339 2.089 20 30 BEEDRO CC[N@H+](CCC#N)C1Cc2ccccc2C1 ZINC001255027112 969852524 /nfs/dbraw/zinc/85/25/24/969852524.db2.gz HCOSRTFUNGBVFW-UHFFFAOYSA-N 1 0 214.312 2.389 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccccc1OCC#N ZINC001212594882 969860169 /nfs/dbraw/zinc/86/01/69/969860169.db2.gz AZJIMFIKULOFMO-UHFFFAOYSA-N 1 0 239.278 2.458 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cc(C)ccn1 ZINC001169843305 969871564 /nfs/dbraw/zinc/87/15/64/969871564.db2.gz BZFCILOUDBOBAW-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C1(CC)CCCC1 ZINC001169855525 969873472 /nfs/dbraw/zinc/87/34/72/969873472.db2.gz DNQJMTDBZYGKGH-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169911824 969883186 /nfs/dbraw/zinc/88/31/86/969883186.db2.gz ATGAMSCQVCRLBV-OLZOCXBDSA-N 1 0 237.343 2.064 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CCCC2(C1)OCCO2 ZINC001169955066 969888881 /nfs/dbraw/zinc/88/88/81/969888881.db2.gz HOLXVLLWFQMSTK-CYBMUJFWSA-N 1 0 237.343 2.346 20 30 BEEDRO C/C=C(\NC=[NH2+])C1=CC(=O)CC(C)(C)C1 ZINC001242314947 969894784 /nfs/dbraw/zinc/89/47/84/969894784.db2.gz XPKMAPCSTCVBBG-WCIBSUBMSA-N 1 0 206.289 2.402 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C(F)=C(C)C ZINC001156503760 969907422 /nfs/dbraw/zinc/90/74/22/969907422.db2.gz SJKNPSSULZQGCE-UHFFFAOYSA-N 1 0 242.338 2.312 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001109043016 969924225 /nfs/dbraw/zinc/92/42/25/969924225.db2.gz IWZZXMBILYLXIV-AGIUHOORSA-N 1 0 236.359 2.083 20 30 BEEDRO CC1(C)CC([NH2+]CCCS)CC(C)(C)N1O ZINC001169981545 969932880 /nfs/dbraw/zinc/93/28/80/969932880.db2.gz VUUMJNDCBNJZTG-UHFFFAOYSA-N 1 0 246.420 2.307 20 30 BEEDRO CN(c1cc(N)cc[nH+]1)c1ccc(F)cc1C#N ZINC001210550657 969934231 /nfs/dbraw/zinc/93/42/31/969934231.db2.gz LIZILVMJEKIVMU-UHFFFAOYSA-N 1 0 242.257 2.442 20 30 BEEDRO CC(C)(C#N)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255099910 969935505 /nfs/dbraw/zinc/93/55/05/969935505.db2.gz UGWCPXFBFHIRHU-CQSZACIVSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+](C2CCSCC2)C1 ZINC001255097298 969935835 /nfs/dbraw/zinc/93/58/35/969935835.db2.gz ZVQBAWXGFSZCNH-LLVKDONJSA-N 1 0 210.346 2.118 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255103049 969938632 /nfs/dbraw/zinc/93/86/32/969938632.db2.gz RLVCGFCOMMMJFX-OAHLLOKOSA-N 1 0 240.350 2.016 20 30 BEEDRO CC[C@@H](CC#N)NC1(CC#N)CCCC1 ZINC001255163703 969944497 /nfs/dbraw/zinc/94/44/97/969944497.db2.gz CLYGHXBZOKDZRP-NSHDSACASA-N 1 0 205.305 2.495 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(\C)CC)C2 ZINC001109237478 969949312 /nfs/dbraw/zinc/94/93/12/969949312.db2.gz FEFNCMBBJQLWJZ-LOGCYIPHSA-N 1 0 248.370 2.250 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](O)(C2)C3 ZINC001255148911 969953230 /nfs/dbraw/zinc/95/32/30/969953230.db2.gz CMNDINXKDSBHLP-UJOWSUJOSA-N 1 0 248.370 2.208 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCc2ccccc2[C@@H]1O ZINC001255154071 969960005 /nfs/dbraw/zinc/96/00/05/969960005.db2.gz ATOKVVRCNSLVEW-YUELXQCFSA-N 1 0 244.338 2.317 20 30 BEEDRO CC[C@@H](CC#N)n1ncc2c1cccc2C[NH3+] ZINC001255154856 969961996 /nfs/dbraw/zinc/96/19/96/969961996.db2.gz LVMQCKSCJRFVBP-NSHDSACASA-N 1 0 228.299 2.360 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]Cc1ccc(O)c(O)c1 ZINC001169993294 969963951 /nfs/dbraw/zinc/96/39/51/969963951.db2.gz RTRZYPKJIOPSSX-UHFFFAOYSA-N 1 0 235.359 2.026 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC2(CCOC2)CC1 ZINC001255164884 969976781 /nfs/dbraw/zinc/97/67/81/969976781.db2.gz PSCVNWHPFKIFMS-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC2(CCOC2)CC1 ZINC001255164881 969977591 /nfs/dbraw/zinc/97/75/91/969977591.db2.gz PSCVNWHPFKIFMS-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001255166190 969979619 /nfs/dbraw/zinc/97/96/19/969979619.db2.gz HIQMRDMMYXCYKK-OLZOCXBDSA-N 1 0 222.332 2.324 20 30 BEEDRO CC[C@@H](CC#N)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@H]2OC ZINC001255171790 969983181 /nfs/dbraw/zinc/98/31/81/969983181.db2.gz AVGMMHBXEMZTSO-ZOBORPQBSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001255173337 969984122 /nfs/dbraw/zinc/98/41/22/969984122.db2.gz KSJVHHPYCIUGRQ-NXEZZACHSA-N 1 0 214.259 2.410 20 30 BEEDRO CC[C@H](CC#N)N(CC)C1CC[NH+](C)CC1 ZINC001255172988 969984507 /nfs/dbraw/zinc/98/45/07/969984507.db2.gz VFWJQFBCPHXIAJ-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1C[C@H]2CCC[C@@]2(COC)C1 ZINC001255169086 969986018 /nfs/dbraw/zinc/98/60/18/969986018.db2.gz AJMZYGYSQYVYRB-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO N#Cc1cc(-c2ccccc2CC[NH3+])ccc1O ZINC001242565392 970002522 /nfs/dbraw/zinc/00/25/22/970002522.db2.gz ALGGKPWWFIZIEK-UHFFFAOYSA-N 1 0 238.290 2.432 20 30 BEEDRO CCOC(=O)C1CCC([NH2+]CCCS)CC1 ZINC001255254255 970015820 /nfs/dbraw/zinc/01/58/20/970015820.db2.gz MXKLWQCCDSBOIC-UHFFFAOYSA-N 1 0 245.388 2.018 20 30 BEEDRO N#Cc1cccc(OCC[NH2+][C@@H]2CCSC2)c1 ZINC001255276192 970025079 /nfs/dbraw/zinc/02/50/79/970025079.db2.gz GZJMKBMKZPPKKN-GFCCVEGCSA-N 1 0 248.351 2.032 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001210795800 970039114 /nfs/dbraw/zinc/03/91/14/970039114.db2.gz ADNCRIPXIPGBRF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@H+]([C@H]1CCSC1)C2 ZINC001255281796 970040154 /nfs/dbraw/zinc/04/01/54/970040154.db2.gz DRNJTDHHZQRTLM-AWEZNQCLSA-N 1 0 244.363 2.422 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cc(N)cc[nH+]2)CC1 ZINC001157049833 970061546 /nfs/dbraw/zinc/06/15/46/970061546.db2.gz IAZYSNKWVCYVBJ-HOMQSWHASA-N 1 0 216.288 2.158 20 30 BEEDRO CCO[NH+]=C1CCN(C)c2ccccc21 ZINC001327842525 1169942230 /nfs/dbraw/zinc/94/22/30/1169942230.db2.gz JFGZSUXPTOQYHL-UHFFFAOYSA-N 1 0 204.273 2.267 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@@H](C)CC ZINC001157141123 970116409 /nfs/dbraw/zinc/11/64/09/970116409.db2.gz PBMZCMDEWSWJPW-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CCCS)C1 ZINC001255344633 970123954 /nfs/dbraw/zinc/12/39/54/970123954.db2.gz RJEWXNUHVJUHLB-MNOVXSKESA-N 1 0 245.388 2.018 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001112808461 970189005 /nfs/dbraw/zinc/18/90/05/970189005.db2.gz DKZIRVQGKHUNBR-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccsc1C#N ZINC001211246565 970193526 /nfs/dbraw/zinc/19/35/26/970193526.db2.gz DZYOZAIXUXIJRE-UHFFFAOYSA-N 1 0 204.258 2.097 20 30 BEEDRO Cn1c[nH+]cc1Nc1cnc(C#N)c(Cl)c1 ZINC001211247311 970194781 /nfs/dbraw/zinc/19/47/81/970194781.db2.gz UHDFXDOULAKYJS-UHFFFAOYSA-N 1 0 233.662 2.084 20 30 BEEDRO COc1c[nH+]ccc1Nc1cccc(F)c1C#N ZINC001211260203 970203657 /nfs/dbraw/zinc/20/36/57/970203657.db2.gz JJVXYFYLSJTFHO-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO COc1c[nH+]ccc1Nc1cc(C)ccc1C#N ZINC001211262202 970208203 /nfs/dbraw/zinc/20/82/03/970208203.db2.gz BSOSPRVREYYVQO-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO COc1c[nH+]ccc1Nc1c(F)cccc1C#N ZINC001211260761 970213820 /nfs/dbraw/zinc/21/38/20/970213820.db2.gz RDKYXGWULUURJX-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CCC[N@H+](C)C1 ZINC001255485829 970232386 /nfs/dbraw/zinc/23/23/86/970232386.db2.gz GWZRYDQAVNKMKM-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO CCc1cc(Nc2ccc(N)c(C#N)c2)cc[nH+]1 ZINC001213431065 970316632 /nfs/dbraw/zinc/31/66/32/970316632.db2.gz BCWSYMBHQKGKQA-UHFFFAOYSA-N 1 0 238.294 2.263 20 30 BEEDRO C=C[C@@H]1C[C@]1(N[C@@H]1CC[C@H](C)C1)C(=O)OCC ZINC001170110342 970318036 /nfs/dbraw/zinc/31/80/36/970318036.db2.gz XGRMMDYFWDTGGB-FMCLSXCISA-N 1 0 237.343 2.272 20 30 BEEDRO CC1(C)C[C@@H]([NH+]2CCC(S)CC2)CCO1 ZINC001255547996 970320520 /nfs/dbraw/zinc/32/05/20/970320520.db2.gz YUTRTRFDLJOYSC-JTQLQIEISA-N 1 0 229.389 2.338 20 30 BEEDRO N#Cc1cnccc1Nc1cc[nH+]c(C2CC2)c1 ZINC001214009781 970411883 /nfs/dbraw/zinc/41/18/83/970411883.db2.gz KWXFEPUCEYBUQJ-UHFFFAOYSA-N 1 0 236.278 2.391 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC000302374788 970429734 /nfs/dbraw/zinc/42/97/34/970429734.db2.gz ZOTNUWJBHOKWPC-NSHDSACASA-N 1 0 232.331 2.047 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1C ZINC001214160352 970445504 /nfs/dbraw/zinc/44/55/04/970445504.db2.gz FYDRRZJKQXQAOA-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CCCC)C[C@H]1C ZINC001214160804 970445694 /nfs/dbraw/zinc/44/56/94/970445694.db2.gz OZQNSRINRRNPLO-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C)[C@H]([NH2+]CCCC)C1 ZINC001214305450 970479211 /nfs/dbraw/zinc/47/92/11/970479211.db2.gz CZRNMGPQKATVPG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](Cc1ccccc1F)[NH2+]CCS ZINC001255829333 970502303 /nfs/dbraw/zinc/50/23/03/970502303.db2.gz HYEUCQUZWDOJLX-VIFPVBQESA-N 1 0 213.321 2.276 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1ccccc1F ZINC001255851636 970514925 /nfs/dbraw/zinc/51/49/25/970514925.db2.gz SMEYTMDNBZIJDL-LLVKDONJSA-N 1 0 205.276 2.322 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NCc1ccc(C#N)o1 ZINC001255951193 970580810 /nfs/dbraw/zinc/58/08/10/970580810.db2.gz NSXJEXPFNSROOF-GFCCVEGCSA-N 1 0 249.358 2.361 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CCO1 ZINC001170196643 970592044 /nfs/dbraw/zinc/59/20/44/970592044.db2.gz TYDRZNBSKWGQTK-TZMCWYRMSA-N 1 0 245.326 2.000 20 30 BEEDRO C[NH+]1CC(CNc2ccc(CS)cc2)C1 ZINC001170256082 970641971 /nfs/dbraw/zinc/64/19/71/970641971.db2.gz CFPHCPOYHVTOAI-UHFFFAOYSA-N 1 0 222.357 2.090 20 30 BEEDRO COc1cccc(C[C@H](C)[NH2+]CCS)c1 ZINC001256143926 970670415 /nfs/dbraw/zinc/67/04/15/970670415.db2.gz JUTJXDASVXKHRW-JTQLQIEISA-N 1 0 225.357 2.146 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1cccc(OC)c1 ZINC001256169864 970683622 /nfs/dbraw/zinc/68/36/22/970683622.db2.gz OGMRUZCUTZKPNV-CQSZACIVSA-N 1 0 241.334 2.195 20 30 BEEDRO CC(C)(S)CNc1cccn2c[nH+]cc12 ZINC001170307154 970710990 /nfs/dbraw/zinc/71/09/90/970710990.db2.gz NRLOOHDZFNKEBJ-UHFFFAOYSA-N 1 0 221.329 2.455 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NCC(C)(C)S)cn1 ZINC001170309075 970716569 /nfs/dbraw/zinc/71/65/69/970716569.db2.gz MHGPLTWDIPCQFL-QMMMGPOBSA-N 1 0 225.361 2.222 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCCC#N)C[C@@H]1C ZINC001170413237 970748189 /nfs/dbraw/zinc/74/81/89/970748189.db2.gz XERZPJCOFJKTHL-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H](CC(C)C)OC1CC[NH+](C)CC1 ZINC001222509978 972534595 /nfs/dbraw/zinc/53/45/95/972534595.db2.gz WIYPNLILNLNRNV-GFCCVEGCSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@]1(C)CCC[N@@H+](C)C1 ZINC001144077845 972552967 /nfs/dbraw/zinc/55/29/67/972552967.db2.gz NDLQDXCBOLPCHC-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C2(CC2)C1 ZINC001144084919 972563744 /nfs/dbraw/zinc/56/37/44/972563744.db2.gz SDSAJEPJWLSLME-NSHDSACASA-N 1 0 227.311 2.328 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](OC)C2)cc1 ZINC001327386145 972565954 /nfs/dbraw/zinc/56/59/54/972565954.db2.gz YICGWGDNHRJTOP-HUUCEWRRSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@H](OC)C2)cc1 ZINC001327386143 972567728 /nfs/dbraw/zinc/56/77/28/972567728.db2.gz YICGWGDNHRJTOP-GJZGRUSLSA-N 1 0 229.323 2.325 20 30 BEEDRO Cc1c(O)cccc1C[NH+]1CCC(C#N)CC1 ZINC001144107602 972602720 /nfs/dbraw/zinc/60/27/20/972602720.db2.gz MHTOCXSDZQBGEC-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO Cc1cc(C#N)cc(C)c1-c1cnc(C[NH3+])nc1 ZINC001222657216 972623929 /nfs/dbraw/zinc/62/39/29/972623929.db2.gz KYRJTAGHOXCSMM-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO N#Cc1ccc(CN2CC3(C2)CCCC3)nc1 ZINC001144153622 972635346 /nfs/dbraw/zinc/63/53/46/972635346.db2.gz HLSAWJZYHVTUJA-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C[C@H]1C[C@@H](CF)N(Cc2ccc(C#N)cn2)C1 ZINC001144153674 972635445 /nfs/dbraw/zinc/63/54/45/972635445.db2.gz JZJNCJGXSFCYQM-GWCFXTLKSA-N 1 0 233.290 2.133 20 30 BEEDRO SC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144186334 972678321 /nfs/dbraw/zinc/67/83/21/972678321.db2.gz UYRMPHQTASGZTC-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccccc1CC ZINC000320605370 972712982 /nfs/dbraw/zinc/71/29/82/972712982.db2.gz FULVNZHCMGORNT-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001330109317 972802322 /nfs/dbraw/zinc/80/23/22/972802322.db2.gz VBXUIADUVFFCFC-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CC1 ZINC001171174536 972802310 /nfs/dbraw/zinc/80/23/10/972802310.db2.gz AGLQIKITBMMOJU-JTQLQIEISA-N 1 0 200.285 2.241 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@@H]1C ZINC001171174574 972803093 /nfs/dbraw/zinc/80/30/93/972803093.db2.gz AMYZPZZUCKLTFL-MISXGVKJSA-N 1 0 214.312 2.487 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H]1C[C@@H]1C ZINC001171174577 972803917 /nfs/dbraw/zinc/80/39/17/972803917.db2.gz AMYZPZZUCKLTFL-WDMOLILDSA-N 1 0 214.312 2.487 20 30 BEEDRO C=C/C=C\CC(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC001144413654 972805106 /nfs/dbraw/zinc/80/51/06/972805106.db2.gz UIJIORZUHLIEAT-WAYWQWQTSA-N 1 0 248.370 2.275 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)CN(C)C ZINC001171178101 972805627 /nfs/dbraw/zinc/80/56/27/972805627.db2.gz CEMJHOXVJDFPOX-OLZOCXBDSA-N 1 0 245.370 2.029 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCCCO ZINC001171176542 972806572 /nfs/dbraw/zinc/80/65/72/972806572.db2.gz SOQKMZAMOJZIDR-CYBMUJFWSA-N 1 0 246.354 2.241 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccon1 ZINC001171179615 972810113 /nfs/dbraw/zinc/81/01/13/972810113.db2.gz VDTOMAHSGWQYTH-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C=CCc1cc(C)cnc1NCC(C)(C)[NH3+] ZINC001171191454 972838416 /nfs/dbraw/zinc/83/84/16/972838416.db2.gz XMNMUELJPHGCCL-UHFFFAOYSA-N 1 0 219.332 2.268 20 30 BEEDRO CC(C)([NH3+])CNc1ccc(C#N)c2[nH]ccc21 ZINC001171192671 972841175 /nfs/dbraw/zinc/84/11/75/972841175.db2.gz JNBCPVRVUABMNS-UHFFFAOYSA-N 1 0 228.299 2.189 20 30 BEEDRO C[C@@H](CO)CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171193284 972845286 /nfs/dbraw/zinc/84/52/86/972845286.db2.gz UREASNHXCPDQDF-OLZOCXBDSA-N 1 0 246.354 2.097 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1 ZINC001144578691 972871072 /nfs/dbraw/zinc/87/10/72/972871072.db2.gz JJWJWRHBKKHRHN-HNNXBMFYSA-N 1 0 227.307 2.033 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)C2CCOCC2)cc1 ZINC001144567303 972873452 /nfs/dbraw/zinc/87/34/52/972873452.db2.gz INKDJTAENFRCFC-UHFFFAOYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)cc1 ZINC001144568098 972873650 /nfs/dbraw/zinc/87/36/50/972873650.db2.gz LDXRKVLDEIQMHN-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)cc1 ZINC001144568084 972875782 /nfs/dbraw/zinc/87/57/82/972875782.db2.gz KKVCKQLFHLYLKA-SOUVJXGZSA-N 1 0 229.298 2.458 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC(C(C)=O)CC2)cc1 ZINC001144576526 972879683 /nfs/dbraw/zinc/87/96/83/972879683.db2.gz MAQJDTFCBAYGBP-UHFFFAOYSA-N 1 0 241.334 2.469 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)cc1 ZINC001144576850 972879731 /nfs/dbraw/zinc/87/97/31/972879731.db2.gz SSLURQHYFOFVFF-IUODEOHRSA-N 1 0 229.323 2.013 20 30 BEEDRO N#Cc1ccc(CO[C@H]2C[NH+]3CCC2CC3)s1 ZINC001223288553 972926210 /nfs/dbraw/zinc/92/62/10/972926210.db2.gz LQUMBWADFDBFET-ZDUSSCGKSA-N 1 0 248.351 2.231 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCCC[C@@](F)(CN)C1 ZINC001246580924 972940940 /nfs/dbraw/zinc/94/09/40/972940940.db2.gz OHKSLJYXCZUBKQ-QWHCGFSZSA-N 1 0 228.355 2.494 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1[C@H](C)Cc1cccc(C#N)c1 ZINC001171229986 973027507 /nfs/dbraw/zinc/02/75/07/973027507.db2.gz ABKXBRVAROEHCA-DOMZBBRYSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771403 973087901 /nfs/dbraw/zinc/08/79/01/973087901.db2.gz YNYBPTTXKGCVSC-WFASDCNBSA-N 1 0 243.354 2.131 20 30 BEEDRO C[C@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771370 973089789 /nfs/dbraw/zinc/08/97/89/973089789.db2.gz YNYBPTTXKGCVSC-SWLSCSKDSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC001328719785 973299913 /nfs/dbraw/zinc/29/99/13/973299913.db2.gz RSBOMZKCWVBXKM-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO CN(C)c1ncccc1C[NH2+]CC(C)(C)CC#N ZINC001328729615 973314316 /nfs/dbraw/zinc/31/43/16/973314316.db2.gz USKWLFJRKMMLOT-UHFFFAOYSA-N 1 0 246.358 2.177 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CCCCC1 ZINC001328978442 973411551 /nfs/dbraw/zinc/41/15/51/973411551.db2.gz QAHKODUWYZNLJZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCCCC)C1 ZINC001276940925 973423739 /nfs/dbraw/zinc/42/37/39/973423739.db2.gz QORUJEDZDCQHAX-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(C)oc1C ZINC001329069228 973463813 /nfs/dbraw/zinc/46/38/13/973463813.db2.gz ZPZGSSUDNFKPJP-AWEZNQCLSA-N 1 0 235.327 2.414 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCC(F)F ZINC001329084460 973466732 /nfs/dbraw/zinc/46/67/32/973466732.db2.gz FIPPRDPKOOYQLE-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)C1CCCC1 ZINC001147351063 973534027 /nfs/dbraw/zinc/53/40/27/973534027.db2.gz VUYREENEZUZWHA-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCO[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001224339233 973567741 /nfs/dbraw/zinc/56/77/41/973567741.db2.gz HDWIMGBOKQRITH-ITGUQSILSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCCOC1CC[NH+](CCCOC)CC1 ZINC001224339847 973578676 /nfs/dbraw/zinc/57/86/76/973578676.db2.gz XDQCTSCNAYTJOS-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCCC(=O)OC)C1 ZINC001329265574 973622399 /nfs/dbraw/zinc/62/23/99/973622399.db2.gz XEEXVEHWYVRTKJ-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO C=CC[N@H+]1CCC2(CN(C(=O)/C=C(\C)CC)C2)C1 ZINC001147482600 973645615 /nfs/dbraw/zinc/64/56/15/973645615.db2.gz CHVWITMRAQOXIL-UKTHLTGXSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CC[C@H](CC)OCC1CC[NH+](C)CC1 ZINC001224451906 973656630 /nfs/dbraw/zinc/65/66/30/973656630.db2.gz BYZGCYMTODQXBQ-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO CCC#C[C@H](C)OCC1CC[NH+](C)CC1 ZINC001224451837 973657358 /nfs/dbraw/zinc/65/73/58/973657358.db2.gz BKPIAMNLNQTZDN-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H](CC)OCC1CC[NH+](C)CC1 ZINC001224451904 973659529 /nfs/dbraw/zinc/65/95/29/973659529.db2.gz BYZGCYMTODQXBQ-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC ZINC001224497494 973712006 /nfs/dbraw/zinc/71/20/06/973712006.db2.gz BEYXQWKJTSDHHH-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC001329376148 973714741 /nfs/dbraw/zinc/71/47/41/973714741.db2.gz RVXOJBNHAKLHKX-DOMZBBRYSA-N 1 0 247.338 2.473 20 30 BEEDRO C=CCCCOC1CC[NH+](CCOC)CC1 ZINC001224511161 973724423 /nfs/dbraw/zinc/72/44/23/973724423.db2.gz LDYFMPBQMVIJPU-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001329400330 973743500 /nfs/dbraw/zinc/74/35/00/973743500.db2.gz ZNXHUMPUHFNEDP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1cc(C)ccc1C ZINC001148961483 973898581 /nfs/dbraw/zinc/89/85/81/973898581.db2.gz PWKVJJQABJJJBT-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=C(COC[C@@H]1CN(C)CCO1)c1ccccc1 ZINC001224739728 973900207 /nfs/dbraw/zinc/90/02/07/973900207.db2.gz SVDHONLZKNTLSH-HNNXBMFYSA-N 1 0 247.338 2.047 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1cc(C)cc(C)c1 ZINC001148983876 973901052 /nfs/dbraw/zinc/90/10/52/973901052.db2.gz XCVAGAWFXPJOTJ-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1cc(C)cc(C)c1 ZINC001148983801 973901069 /nfs/dbraw/zinc/90/10/69/973901069.db2.gz UFDWNMTURZXBJJ-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171347807 973932539 /nfs/dbraw/zinc/93/25/39/973932539.db2.gz AJTALWBECXBYPD-SKDRFNHKSA-N 1 0 235.277 2.433 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405878 974011198 /nfs/dbraw/zinc/01/11/98/974011198.db2.gz BIODWJFVNBTXFA-GFCCVEGCSA-N 1 0 217.287 2.296 20 30 BEEDRO CC[NH+](CC)C[C@H](C)OCC#CC1CC1 ZINC001224843181 974020203 /nfs/dbraw/zinc/02/02/03/974020203.db2.gz ALSJTEAWLVQKKU-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)c2occc2C)CC1 ZINC001277002278 974046673 /nfs/dbraw/zinc/04/66/73/974046673.db2.gz ORGQRHNAIKMGFQ-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463357 974077002 /nfs/dbraw/zinc/07/70/02/974077002.db2.gz QXBDYKLFBZYKPT-JOYOIKCWSA-N 1 0 235.277 2.433 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171557794 974101486 /nfs/dbraw/zinc/10/14/86/974101486.db2.gz WSHCVKZXHNJQBV-JSGCOSHPSA-N 1 0 213.324 2.464 20 30 BEEDRO C[NH+]1C(C)(C)CC(N2CC(C#N)C2)CC1(C)C ZINC001171629234 974108361 /nfs/dbraw/zinc/10/83/61/974108361.db2.gz QWYSCXWUJIYKMS-UHFFFAOYSA-N 1 0 235.375 2.093 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CCc2c(C)cccc2C1 ZINC001171579806 974108376 /nfs/dbraw/zinc/10/83/76/974108376.db2.gz RPLVSUCZSNSXPO-MRXNPFEDSA-N 1 0 237.346 2.421 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1CCc2c(C)cccc2C1 ZINC001171579804 974108995 /nfs/dbraw/zinc/10/89/95/974108995.db2.gz RPLVSUCZSNSXPO-INIZCTEOSA-N 1 0 237.346 2.421 20 30 BEEDRO CCOC(=N)CCCCO[C@H]1C=CC(=O)C1 ZINC001224967569 974110035 /nfs/dbraw/zinc/11/00/35/974110035.db2.gz WYLREASKDKYXFH-NSHDSACASA-N 1 0 225.288 2.085 20 30 BEEDRO C[C@@H](C#N)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625904 974117879 /nfs/dbraw/zinc/11/78/79/974117879.db2.gz PRNNVDISMLMLFA-JTQLQIEISA-N 1 0 223.364 2.139 20 30 BEEDRO C[NH+]1C(C)(C)CC(N2CC[C@H](C#N)C2)CC1(C)C ZINC001171639747 974133330 /nfs/dbraw/zinc/13/33/30/974133330.db2.gz ROKCDIRCAFHGPK-GFCCVEGCSA-N 1 0 249.402 2.483 20 30 BEEDRO C#CCN(C)[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763270 974146524 /nfs/dbraw/zinc/14/65/24/974146524.db2.gz OYPYWQHAVHNZAB-ZBFHGGJFSA-N 1 0 242.366 2.214 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C=C(C)C)C2 ZINC001094843787 974167293 /nfs/dbraw/zinc/16/72/93/974167293.db2.gz JREBOCGWGFAGCJ-IHRRRGAJSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CC1([NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171780924 974172078 /nfs/dbraw/zinc/17/20/78/974172078.db2.gz TVGRCTKLHKSHHE-LLVKDONJSA-N 1 0 215.271 2.048 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1Cc2cccc(F)c2C1 ZINC001171804202 974196237 /nfs/dbraw/zinc/19/62/37/974196237.db2.gz AIGCWQWNQUMXBS-LLVKDONJSA-N 1 0 205.276 2.411 20 30 BEEDRO N#C[C@H]1CCN([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171806933 974202462 /nfs/dbraw/zinc/20/24/62/974202462.db2.gz LQSRYGBZTLLNNY-ZYHUDNBSSA-N 1 0 230.286 2.138 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2C#N)C1 ZINC001225196948 974213456 /nfs/dbraw/zinc/21/34/56/974213456.db2.gz CHTAZOHGJMQUOI-ZDUSSCGKSA-N 1 0 230.311 2.420 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206154434 974327699 /nfs/dbraw/zinc/32/76/99/974327699.db2.gz IZVZEBHUXMFVTL-OLZOCXBDSA-N 1 0 228.355 2.494 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC001330589334 974341759 /nfs/dbraw/zinc/34/17/59/974341759.db2.gz SJBBKSOWAMANBG-NEPJUHHUSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC[C@@H]1N(C)C ZINC001330608024 974354415 /nfs/dbraw/zinc/35/44/15/974354415.db2.gz LLFFPMQRBSDESM-MCIONIFRSA-N 1 0 237.391 2.389 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC2(OC)CCC2)C1 ZINC001330622166 974369709 /nfs/dbraw/zinc/36/97/09/974369709.db2.gz QJVBQBKIYLVRGP-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172115231 974382745 /nfs/dbraw/zinc/38/27/45/974382745.db2.gz SLBIAYLBRPHIEA-QDMKHBRRSA-N 1 0 234.387 2.395 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH+]1CCC(C#N)CC1)C2 ZINC001172115478 974382768 /nfs/dbraw/zinc/38/27/68/974382768.db2.gz XSYXKLBPWUVIBQ-QDMKHBRRSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CN2CC3(CC3)CC2=O)C1 ZINC001330665949 974395362 /nfs/dbraw/zinc/39/53/62/974395362.db2.gz OTGVTLPMZHLIRU-ZDUSSCGKSA-N 1 0 248.370 2.245 20 30 BEEDRO C[C@@H](CS)Oc1ccc(C[NH+](C)C)cc1 ZINC001225332535 974409160 /nfs/dbraw/zinc/40/91/60/974409160.db2.gz LIIGYKQBTUHJHY-JTQLQIEISA-N 1 0 225.357 2.445 20 30 BEEDRO N#CC1(NC2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC001172219437 974447916 /nfs/dbraw/zinc/44/79/16/974447916.db2.gz QRTNIZCCTIYJQA-YOGCLGLASA-N 1 0 220.316 2.122 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172221055 974451713 /nfs/dbraw/zinc/45/17/13/974451713.db2.gz SFRXOTKADFJZIH-MQVJKMGUSA-N 1 0 241.334 2.338 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172229746 974469536 /nfs/dbraw/zinc/46/95/36/974469536.db2.gz CCUXDSPRKCUFQJ-VKZGVUPNSA-N 1 0 232.327 2.144 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)s1 ZINC001172234410 974478550 /nfs/dbraw/zinc/47/85/50/974478550.db2.gz MGNOIKCZRVGXPY-FGWVZKOKSA-N 1 0 246.335 2.195 20 30 BEEDRO CCC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301537 974514439 /nfs/dbraw/zinc/51/44/39/974514439.db2.gz QHBJZURMWSCOKJ-WFASDCNBSA-N 1 0 246.354 2.240 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172302805 974516262 /nfs/dbraw/zinc/51/62/62/974516262.db2.gz QZRXMNWEFOGNPS-TUKIKUTGSA-N 1 0 244.338 2.256 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)C)C1CCOCC1 ZINC001330885777 974521559 /nfs/dbraw/zinc/52/15/59/974521559.db2.gz KIXFYXXEALHVCN-ZDUSSCGKSA-N 1 0 209.333 2.051 20 30 BEEDRO C[NH+](C)C1CCC(Oc2ccc(C#N)nc2)CC1 ZINC001225500349 974533567 /nfs/dbraw/zinc/53/35/67/974533567.db2.gz UZOANYSNEPXZFI-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO Cc1cc(C#N)c(OC2CC[NH+](C)CC2)nc1C ZINC001225529819 974540646 /nfs/dbraw/zinc/54/06/46/974540646.db2.gz XLLXRZNIRRBBFM-UHFFFAOYSA-N 1 0 245.326 2.043 20 30 BEEDRO C#CC1([NH2+][C@H]2COC(C)(C)C2)CCCCC1 ZINC001172283804 974543925 /nfs/dbraw/zinc/54/39/25/974543925.db2.gz ZYPCAEUAJQBQFP-GFCCVEGCSA-N 1 0 221.344 2.480 20 30 BEEDRO CC1(C)C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CO1 ZINC001172288888 974555061 /nfs/dbraw/zinc/55/50/61/974555061.db2.gz NGBYVKNMZGGUFJ-RVMXOQNASA-N 1 0 234.343 2.320 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccno1 ZINC001172290414 974557140 /nfs/dbraw/zinc/55/71/40/974557140.db2.gz PKGHIGQLHSEIDJ-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172289991 974557962 /nfs/dbraw/zinc/55/79/62/974557962.db2.gz LPYFFAVXWLMRDF-GFCCVEGCSA-N 1 0 226.323 2.491 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[NH+]1CC(CC#N)C1 ZINC001172340503 974609067 /nfs/dbraw/zinc/60/90/67/974609067.db2.gz QTIXHAXKUJHYAF-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2ncc(C)o2)CC1 ZINC001331113699 974609264 /nfs/dbraw/zinc/60/92/64/974609264.db2.gz KNYOEDWFFGIAKQ-UHFFFAOYSA-N 1 0 235.331 2.435 20 30 BEEDRO CCCCCCC[C@@H](CC)[N@H+](CCN)CCO ZINC001172346276 974614090 /nfs/dbraw/zinc/61/40/90/974614090.db2.gz IBBOKJVFJLHQEF-CQSZACIVSA-N 1 0 244.423 2.379 20 30 BEEDRO CC[C@@H](CC(C)C)NC1(C#N)CC[NH+](C)CC1 ZINC001172402805 974655221 /nfs/dbraw/zinc/65/52/21/974655221.db2.gz XSWCIQRGHJNCDQ-ZDUSSCGKSA-N 1 0 237.391 2.389 20 30 BEEDRO CCOCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001172406283 974663191 /nfs/dbraw/zinc/66/31/91/974663191.db2.gz IUPKFIUKSNYVEV-LBPRGKRZSA-N 1 0 232.327 2.463 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001172435367 974676467 /nfs/dbraw/zinc/67/64/67/974676467.db2.gz FTDLJNCPUYMKNL-LLVKDONJSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@H+](CC1CC1)C1CC(OC(C)C)C1 ZINC001331330662 974684822 /nfs/dbraw/zinc/68/48/22/974684822.db2.gz SUDATGHSYQGQDM-UHFFFAOYSA-N 1 0 221.344 2.288 20 30 BEEDRO C#CCN(CC1CC1)[C@@H](C)c1nc(CC)no1 ZINC001331329773 974684961 /nfs/dbraw/zinc/68/49/61/974684961.db2.gz KPMXOUGVIAWCRE-JTQLQIEISA-N 1 0 233.315 2.038 20 30 BEEDRO CCOCC[C@H](C)[NH2+]CC#CC(C)(C)C ZINC001172419936 974693978 /nfs/dbraw/zinc/69/39/78/974693978.db2.gz NYUVAAPQAJFQIR-LBPRGKRZSA-N 1 0 211.349 2.441 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2ccc(F)c(C#N)c2)C1 ZINC001225821123 974696647 /nfs/dbraw/zinc/69/66/47/974696647.db2.gz XGYKKGAGIMUUDE-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)F ZINC001331373773 974697840 /nfs/dbraw/zinc/69/78/40/974697840.db2.gz RSYWWXLQKNMTRR-LLVKDONJSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001331487526 974739386 /nfs/dbraw/zinc/73/93/86/974739386.db2.gz GWXFOUSLWDGWFZ-RYUDHWBXSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1(C)CCC1 ZINC001331532195 974750332 /nfs/dbraw/zinc/75/03/32/974750332.db2.gz GSULUPDHUGGLRI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1ccncc1 ZINC001172475862 974772437 /nfs/dbraw/zinc/77/24/37/974772437.db2.gz DFJJXQJHVRUGEV-GFCCVEGCSA-N 1 0 217.316 2.296 20 30 BEEDRO Cc1coc(C[NH2+][C@H](C)CCCC#N)n1 ZINC001172476668 974774469 /nfs/dbraw/zinc/77/44/69/974774469.db2.gz PNEOSFMYUYWCMJ-SECBINFHSA-N 1 0 207.277 2.155 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccncc1F ZINC001172478242 974777186 /nfs/dbraw/zinc/77/71/86/974777186.db2.gz DMJRVXFPIOMQBF-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172478125 974777075 /nfs/dbraw/zinc/77/70/75/974777075.db2.gz BRSYJLBCRIJCGO-NSHDSACASA-N 1 0 248.326 2.312 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001172479256 974777284 /nfs/dbraw/zinc/77/72/84/974777284.db2.gz HRBNKVVPLGTHQB-BYCMXARLSA-N 1 0 244.338 2.317 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCn1cccc1 ZINC001172478459 974777974 /nfs/dbraw/zinc/77/79/74/974777974.db2.gz DXZDBSPHMHKRAB-GFCCVEGCSA-N 1 0 205.305 2.160 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(CO)cc1 ZINC001172480364 974778587 /nfs/dbraw/zinc/77/85/87/974778587.db2.gz SNHHWNNXKCFTDL-GFCCVEGCSA-N 1 0 232.327 2.351 20 30 BEEDRO C[C@@H](CCCC#N)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001172479401 974779671 /nfs/dbraw/zinc/77/96/71/974779671.db2.gz LIRLZIMOJWGWDD-NSHDSACASA-N 1 0 240.310 2.346 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCCOC1 ZINC001172481691 974781890 /nfs/dbraw/zinc/78/18/90/974781890.db2.gz WTFXMKNKESHKJT-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)CN1CCCC1 ZINC001172481251 974782063 /nfs/dbraw/zinc/78/20/63/974782063.db2.gz RPLTYRMPTDCBBK-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc2nonc2c1 ZINC001172480605 974782211 /nfs/dbraw/zinc/78/22/11/974782211.db2.gz VVRQMDOQUKTYGH-JTQLQIEISA-N 1 0 244.298 2.395 20 30 BEEDRO CCCOCCC[NH2+][C@H](C)CCCC#N ZINC001172481953 974783274 /nfs/dbraw/zinc/78/32/74/974783274.db2.gz AMPUVQGCYQEQQW-GFCCVEGCSA-N 1 0 212.337 2.475 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1(C)CCOCC1 ZINC001172482240 974783480 /nfs/dbraw/zinc/78/34/80/974783480.db2.gz CWTZQFUHSUUMOC-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCCC(=O)C1 ZINC001172482843 974783797 /nfs/dbraw/zinc/78/37/97/974783797.db2.gz AKIOMPMZVFVEHY-QWRGUYRKSA-N 1 0 208.305 2.170 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(F)n1 ZINC001172482750 974784361 /nfs/dbraw/zinc/78/43/61/974784361.db2.gz JWPYAGBXVITIGA-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccccc1CO ZINC001172484218 974786182 /nfs/dbraw/zinc/78/61/82/974786182.db2.gz YQPQBGIOGUTXRK-GFCCVEGCSA-N 1 0 232.327 2.351 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1nc(C2CC2)no1 ZINC001172483793 974786326 /nfs/dbraw/zinc/78/63/26/974786326.db2.gz UIMGROFAVWIOMS-VIFPVBQESA-N 1 0 234.303 2.119 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1CCC(=O)CC1 ZINC001172483785 974786935 /nfs/dbraw/zinc/78/69/35/974786935.db2.gz UGCKGDQRLNIYEQ-SNVBAGLBSA-N 1 0 208.305 2.170 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(O)c1O ZINC001172485682 974788312 /nfs/dbraw/zinc/78/83/12/974788312.db2.gz SGZOXGWAAGUAHQ-SNVBAGLBSA-N 1 0 234.299 2.270 20 30 BEEDRO CCOC(=O)C(C)(C)C[NH2+][C@@H](C)CCCC#N ZINC001172485044 974789156 /nfs/dbraw/zinc/78/91/56/974789156.db2.gz KZUQKBCICZVZDU-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)CCCC#N ZINC001172486145 974790521 /nfs/dbraw/zinc/79/05/21/974790521.db2.gz ZMXMJLPRBATAMT-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(CCO)c1 ZINC001172486348 974790318 /nfs/dbraw/zinc/79/03/18/974790318.db2.gz BJIMULXINCIRJR-CYBMUJFWSA-N 1 0 246.354 2.393 20 30 BEEDRO COc1cncc(CC[NH2+][C@H](C)CCCC#N)c1 ZINC001172488915 974833142 /nfs/dbraw/zinc/83/31/42/974833142.db2.gz NQTRWIKXOHEBIT-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCN1CCC(F)CC1 ZINC001172488424 974833380 /nfs/dbraw/zinc/83/33/80/974833380.db2.gz MVSPYPGPOXGZSV-LBPRGKRZSA-N 1 0 241.354 2.092 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCN1CCC[C@@H](F)C1 ZINC001172488813 974833634 /nfs/dbraw/zinc/83/36/34/974833634.db2.gz OLLJTBMRQMOREL-QWHCGFSZSA-N 1 0 241.354 2.092 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ncc(C#N)s1 ZINC001172489698 974835029 /nfs/dbraw/zinc/83/50/29/974835029.db2.gz YUQSVOKRWIKRIY-VIFPVBQESA-N 1 0 234.328 2.187 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(C#N)o1 ZINC001172489601 974835039 /nfs/dbraw/zinc/83/50/39/974835039.db2.gz WPBVARSOPXQPEF-JTQLQIEISA-N 1 0 217.272 2.323 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(F)nc1 ZINC001172489227 974835201 /nfs/dbraw/zinc/83/52/01/974835201.db2.gz PCYUBBQRCLVMFR-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)Nc1cccnc1C[NH3+] ZINC001172489614 974835408 /nfs/dbraw/zinc/83/54/08/974835408.db2.gz WUNPGDSSONARSF-SNVBAGLBSA-N 1 0 218.304 2.035 20 30 BEEDRO C[C@@H](CCCC#N)n1nnc2ccc(C[NH3+])cc21 ZINC001172489799 974835449 /nfs/dbraw/zinc/83/54/49/974835449.db2.gz QJDDGADVJVSQPN-JTQLQIEISA-N 1 0 243.314 2.145 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001172490956 974836506 /nfs/dbraw/zinc/83/65/06/974836506.db2.gz AZQRUCCFSRBVCX-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@]1(C)CC[C@H](O)CC1 ZINC001172490820 974837808 /nfs/dbraw/zinc/83/78/08/974837808.db2.gz ATOSGLWSTWHJQB-JHJVBQTASA-N 1 0 224.348 2.352 20 30 BEEDRO CO[C@H]1CCC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172491250 974838135 /nfs/dbraw/zinc/83/81/35/974838135.db2.gz CYHSHMFZJULNSF-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC(=O)C[C@@H]1C ZINC001172492163 974839660 /nfs/dbraw/zinc/83/96/60/974839660.db2.gz JDCSUDOGXSFBPQ-MNOVXSKESA-N 1 0 208.305 2.122 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001172493493 974839742 /nfs/dbraw/zinc/83/97/42/974839742.db2.gz MKMCQWRADJYGNB-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1C[C@@]12CCCOC2 ZINC001172492802 974840508 /nfs/dbraw/zinc/84/05/08/974840508.db2.gz OOVJHOARJVMHOW-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001172493888 974841485 /nfs/dbraw/zinc/84/14/85/974841485.db2.gz OXRNMINCUVUWGQ-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1(O)CCCCC1 ZINC001172493546 974841496 /nfs/dbraw/zinc/84/14/96/974841496.db2.gz UXMVLSZUHDIFHN-GFCCVEGCSA-N 1 0 224.348 2.354 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@]1(C)CCCN(C)C1 ZINC001172493909 974842323 /nfs/dbraw/zinc/84/23/23/974842323.db2.gz WNZGOOKCEGUEPP-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cncn1CC1CC1 ZINC001172493416 974842739 /nfs/dbraw/zinc/84/27/39/974842739.db2.gz SSWUHWQSUGAUGE-GFCCVEGCSA-N 1 0 246.358 2.465 20 30 BEEDRO COC[C@@H]1CC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172494459 974844716 /nfs/dbraw/zinc/84/47/16/974844716.db2.gz UYQGPFUUJAVXNV-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001172496379 974844817 /nfs/dbraw/zinc/84/48/17/974844817.db2.gz MGSABBGSODHCRE-STQMWFEESA-N 1 0 222.332 2.324 20 30 BEEDRO CCC[N@H+](CC(=O)OCC)[C@@H](C)CCCC#N ZINC001172499636 974850818 /nfs/dbraw/zinc/85/08/18/974850818.db2.gz YXQIZYLZGYLAJS-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001172499542 974850852 /nfs/dbraw/zinc/85/08/52/974850852.db2.gz YFBIYYJVKXRTTH-JSGCOSHPSA-N 1 0 235.375 2.237 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](CCO)C1 ZINC001172499124 974850992 /nfs/dbraw/zinc/85/09/92/974850992.db2.gz AXBQDMNRIMGYAF-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@H](N(C)C2CC2)C1 ZINC001172499544 974852007 /nfs/dbraw/zinc/85/20/07/974852007.db2.gz YFBIYYJVKXRTTH-OCCSQVGLSA-N 1 0 235.375 2.237 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)CCCC#N)C1 ZINC001172500198 974853834 /nfs/dbraw/zinc/85/38/34/974853834.db2.gz KGBHDQJNODBUJH-UONOGXRCSA-N 1 0 237.391 2.485 20 30 BEEDRO C[NH2+]Cc1c(C)nn([C@H](C)CCCC#N)c1C ZINC001172502207 974854202 /nfs/dbraw/zinc/85/42/02/974854202.db2.gz SZOFIRVVWVMMLF-SNVBAGLBSA-N 1 0 234.347 2.474 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CCC(S)CC1 ZINC001172503294 974857686 /nfs/dbraw/zinc/85/76/86/974857686.db2.gz ZBBHNXPQDYNPBA-JTQLQIEISA-N 1 0 212.362 2.463 20 30 BEEDRO CCN1CC[N@H+]([C@H](C)CCCC#N)[C@H](C)C1 ZINC001172506604 974859066 /nfs/dbraw/zinc/85/90/66/974859066.db2.gz XKEAOUWTHVIROW-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)[C@@H]1CCCOC1 ZINC001172506527 974859967 /nfs/dbraw/zinc/85/99/67/974859967.db2.gz VOPACHSFHFHNTD-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CO[C@H](C)C1C[NH+]([C@@H](C)CCCC#N)C1 ZINC001172509420 974862236 /nfs/dbraw/zinc/86/22/36/974862236.db2.gz LKTOADDLDNSCTN-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](CCCC#N)N1CC[NH+](CC2CC2)CC1 ZINC001172507524 974862420 /nfs/dbraw/zinc/86/24/20/974862420.db2.gz VSSDHNHWIAQBCN-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO COC(=O)CC[N@H+]([C@@H](C)CCCC#N)C1CC1 ZINC001172508398 974863349 /nfs/dbraw/zinc/86/33/49/974863349.db2.gz CLHVFTRZLFWXFB-NSHDSACASA-N 1 0 238.331 2.096 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172594627 974882507 /nfs/dbraw/zinc/88/25/07/974882507.db2.gz BRSSZKLOCKWYOW-SGMGOOAPSA-N 1 0 237.343 2.110 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172764202 974932614 /nfs/dbraw/zinc/93/26/14/974932614.db2.gz CZIAPSFUMCUPFB-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172766164 974933889 /nfs/dbraw/zinc/93/38/89/974933889.db2.gz KRILWWUXVLBVDK-QWHCGFSZSA-N 1 0 237.343 2.111 20 30 BEEDRO CC[C@@H]([NH3+])C(=O)Nc1ccc(C2CC2)c(C#N)c1 ZINC001332076171 974941131 /nfs/dbraw/zinc/94/11/31/974941131.db2.gz BUPVUTZCOFDGTR-CYBMUJFWSA-N 1 0 243.310 2.111 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895256 974961147 /nfs/dbraw/zinc/96/11/47/974961147.db2.gz BGABXHMAEXEWES-CYBMUJFWSA-N 1 0 244.294 2.065 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1cncc(C#N)c1 ZINC001226685085 975022184 /nfs/dbraw/zinc/02/21/84/975022184.db2.gz SKBONEIRCSWJHB-NSHDSACASA-N 1 0 233.315 2.062 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCc3ncsc3C2)CCC1 ZINC001173122845 975031184 /nfs/dbraw/zinc/03/11/84/975031184.db2.gz VOVOPXLRNYBZNY-SNVBAGLBSA-N 1 0 247.367 2.284 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC1([NH2+]C(C)C)CC1 ZINC001277152118 975053726 /nfs/dbraw/zinc/05/37/26/975053726.db2.gz YNPUQJRUEWCNOJ-GFCCVEGCSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCC(F)F)n1 ZINC001332353746 975069641 /nfs/dbraw/zinc/06/96/41/975069641.db2.gz UROFNODNEZJXJA-UHFFFAOYSA-N 1 0 231.271 2.150 20 30 BEEDRO COc1ccc(C#N)c(O[C@@H]2CCC[N@H+](C)C2)c1 ZINC001226790336 975085626 /nfs/dbraw/zinc/08/56/26/975085626.db2.gz DSBUQSQEMWGAML-CYBMUJFWSA-N 1 0 246.310 2.040 20 30 BEEDRO C=CCCCCCC[N@H+]1CC[C@H]2C[C@]21C(N)=O ZINC001277153310 975096080 /nfs/dbraw/zinc/09/60/80/975096080.db2.gz SYQZSDYNARGEFQ-GXTWGEPZSA-N 1 0 236.359 2.073 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CC[C@@H](CC)C1)C(=O)NO ZINC001173270470 975139791 /nfs/dbraw/zinc/13/97/91/975139791.db2.gz BOPUXMWADGUBCB-USZNOCQGSA-N 1 0 242.363 2.075 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cncn2C)CC1 ZINC001173308929 975215948 /nfs/dbraw/zinc/21/59/48/975215948.db2.gz PRYJFSODOKBFSE-UHFFFAOYSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCOC1CCC([NH2+]C[C@H]2CCCO2)CC1 ZINC001173308601 975217817 /nfs/dbraw/zinc/21/78/17/975217817.db2.gz LCJHYNMZRKPOTD-JXQTWKCFSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCOC1CCC(n2c(C)cnc2C[NH3+])CC1 ZINC001173313861 975248943 /nfs/dbraw/zinc/24/89/43/975248943.db2.gz AKKJLRBKDQWNCM-UHFFFAOYSA-N 1 0 249.358 2.337 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCCC12CCCCC2 ZINC001332695433 975255266 /nfs/dbraw/zinc/25/52/66/975255266.db2.gz PBSLKBQCOUVKJT-GFCCVEGCSA-N 1 0 222.332 2.060 20 30 BEEDRO C#CCCCCCC[NH+]1CCN(CCC#C)CC1 ZINC001332701993 975261618 /nfs/dbraw/zinc/26/16/18/975261618.db2.gz XZVJHUDNEPYBFZ-UHFFFAOYSA-N 1 0 246.398 2.211 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001332708757 975263490 /nfs/dbraw/zinc/26/34/90/975263490.db2.gz VPQCVAFLJZBENA-YPMHNXCESA-N 1 0 236.315 2.054 20 30 BEEDRO C=CCOC1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC001173321523 975267101 /nfs/dbraw/zinc/26/71/01/975267101.db2.gz LBIPLTINTXQNOQ-IYXRBSQSSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOC1CCC([NH+]2CC=CC2)CC1 ZINC001173322236 975272002 /nfs/dbraw/zinc/27/20/02/975272002.db2.gz ZJPJWKNHILMYSP-UHFFFAOYSA-N 1 0 207.317 2.372 20 30 BEEDRO C=CCOC1CCC([N@H+](C)[C@H]2CCOC2)CC1 ZINC001173323389 975272049 /nfs/dbraw/zinc/27/20/49/975272049.db2.gz FIHRAFDQUQVGTD-MOKVOYLWSA-N 1 0 239.359 2.221 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001173327819 975276579 /nfs/dbraw/zinc/27/65/79/975276579.db2.gz JBIIKNVZKNRYQO-OTTFEQOBSA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCC1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC001173330265 975279914 /nfs/dbraw/zinc/27/99/14/975279914.db2.gz MSYKSTAOGYAMOQ-UHFFFAOYSA-N 1 0 217.316 2.352 20 30 BEEDRO C=CCOC1CCC([N@@H+](C)C(C)(C)CN)CC1 ZINC001173314489 975301026 /nfs/dbraw/zinc/30/10/26/975301026.db2.gz QODZMENSZLUUCM-UHFFFAOYSA-N 1 0 240.391 2.169 20 30 BEEDRO C=CCOC1CCC([NH2+]CC(=O)CC)CC1 ZINC001173317564 975304431 /nfs/dbraw/zinc/30/44/31/975304431.db2.gz FRZCTWZCDAGBMY-UHFFFAOYSA-N 1 0 225.332 2.069 20 30 BEEDRO C=CCOC1CCC([N@@H+](C)CCOC)CC1 ZINC001173319733 975308370 /nfs/dbraw/zinc/30/83/70/975308370.db2.gz UACVSVYUVIRFBQ-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1ccc(F)nc1)[C@@H]1CCCO1 ZINC001332897458 975312740 /nfs/dbraw/zinc/31/27/40/975312740.db2.gz LQKTUESYTJOUIP-DRZSPHRISA-N 1 0 248.301 2.052 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(CCC#N)C2CCCC2)C1 ZINC001173364070 975335688 /nfs/dbraw/zinc/33/56/88/975335688.db2.gz SUADFEIRVSFBGE-CQSZACIVSA-N 1 0 235.375 2.239 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1cnc(C#N)c(C)c1 ZINC001227347545 975368304 /nfs/dbraw/zinc/36/83/04/975368304.db2.gz QVUTWXUWGJCVEK-LBPRGKRZSA-N 1 0 247.342 2.371 20 30 BEEDRO C=CCN(CCOC)[C@H](C)c1snnc1C ZINC001333014196 975370801 /nfs/dbraw/zinc/37/08/01/975370801.db2.gz QGCGHAIPWZAEIM-SNVBAGLBSA-N 1 0 241.360 2.042 20 30 BEEDRO C#C[C@H](C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476952 975384419 /nfs/dbraw/zinc/38/44/19/975384419.db2.gz FBGAXNOCWIZCLE-QMMMGPOBSA-N 1 0 221.250 2.043 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+][C@@H](C)CC#N ZINC001173444644 975385371 /nfs/dbraw/zinc/38/53/71/975385371.db2.gz MAVVWFWQANGSJT-MNOVXSKESA-N 1 0 226.320 2.000 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCC2COC2)CC1 ZINC001173588922 975429074 /nfs/dbraw/zinc/42/90/74/975429074.db2.gz NRPNSYBKRHBJSI-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO COC(C)(C[NH2+]C1CCC(C)(C#N)CC1)OC ZINC001173589231 975430071 /nfs/dbraw/zinc/43/00/71/975430071.db2.gz YBSBNTIZOFUZRG-UHFFFAOYSA-N 1 0 240.347 2.057 20 30 BEEDRO CCCOCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586752 975433410 /nfs/dbraw/zinc/43/34/10/975433410.db2.gz ZTDJDUFOFUSNPK-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC001173592044 975447302 /nfs/dbraw/zinc/44/73/02/975447302.db2.gz DFQXSKPTUZRMFP-IYXRBSQSSA-N 1 0 236.359 2.163 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCCC[C@H](O)C2)CC1 ZINC001173593716 975455381 /nfs/dbraw/zinc/45/53/81/975455381.db2.gz MBPPKZZBDZWOMI-MOKVOYLWSA-N 1 0 236.359 2.306 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2C[C@@H]3COC[C@@H]3C2)CC1 ZINC001173594069 975456704 /nfs/dbraw/zinc/45/67/04/975456704.db2.gz QNVPJEPXRUDTGT-VTXSZYRJSA-N 1 0 234.343 2.037 20 30 BEEDRO COC[C@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173593733 975460184 /nfs/dbraw/zinc/46/01/84/975460184.db2.gz MJKYEASPZGSTTP-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCn3cncc3C2)CC1 ZINC001173600311 975467373 /nfs/dbraw/zinc/46/73/73/975467373.db2.gz ZFVSIKRLRQCSJP-UHFFFAOYSA-N 1 0 244.342 2.171 20 30 BEEDRO C#CC[N@@H+](C)C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173618303 975505036 /nfs/dbraw/zinc/50/50/36/975505036.db2.gz OWVMARAKKKJUBB-JVWICGRDSA-N 1 0 249.354 2.063 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC001333159179 975517219 /nfs/dbraw/zinc/51/72/19/975517219.db2.gz YOMACXGVDMXAJG-NWINJMCUSA-N 1 0 236.359 2.019 20 30 BEEDRO CC(=[NH+]N1CCC1)c1c(C)cc(N)cc1C ZINC001333199258 975547943 /nfs/dbraw/zinc/54/79/43/975547943.db2.gz FQUNGTGXKOWXGC-UHFFFAOYSA-N 1 0 217.316 2.315 20 30 BEEDRO C=C[C@H](COC)[NH2+]CCC(C)(C)SC ZINC001330620959 975584118 /nfs/dbraw/zinc/58/41/18/975584118.db2.gz HZFYYIGKQVGERN-SNVBAGLBSA-N 1 0 217.378 2.309 20 30 BEEDRO CCCCCCCC[NH+]1CC2(C[C@@H]2C(N)=O)C1 ZINC001277230575 975590828 /nfs/dbraw/zinc/59/08/28/975590828.db2.gz JRNJAELVXZNVFP-GFCCVEGCSA-N 1 0 238.375 2.154 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCOCC3(CC3)C2)CC1 ZINC001333298098 975628921 /nfs/dbraw/zinc/62/89/21/975628921.db2.gz CNHARNRFXPDMHS-UHFFFAOYSA-N 1 0 248.370 2.429 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1csnn1 ZINC001333369894 975721109 /nfs/dbraw/zinc/72/11/09/975721109.db2.gz XROKTHLZETUOSE-SECBINFHSA-N 1 0 211.334 2.373 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCCC2(CCC2)O1 ZINC001333487145 975812092 /nfs/dbraw/zinc/81/20/92/975812092.db2.gz SSDWZLVLSKBJJW-STQMWFEESA-N 1 0 221.344 2.432 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2cccc(C#N)c2C)C1 ZINC001228027211 975856719 /nfs/dbraw/zinc/85/67/19/975856719.db2.gz CUDHEIZIBQDEDE-CYBMUJFWSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1ccc(O)cc1O[C@H](CC#N)C[N+](C)(C)C ZINC001228066829 975886554 /nfs/dbraw/zinc/88/65/54/975886554.db2.gz MMZKUVUARYXTAE-CYBMUJFWSA-O 1 0 249.334 2.068 20 30 BEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(C#N)s1 ZINC001333625039 975902570 /nfs/dbraw/zinc/90/25/70/975902570.db2.gz SGBHSLFHRWIVRC-ZWNOBZJWSA-N 1 0 249.383 2.144 20 30 BEEDRO COc1ccc(O[C@@H]2CCC[N@H+](C)C2)c(C#N)c1 ZINC001228116972 975912616 /nfs/dbraw/zinc/91/26/16/975912616.db2.gz BTTZVJXFAFBZTQ-CYBMUJFWSA-N 1 0 246.310 2.040 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC001346299477 1169995320 /nfs/dbraw/zinc/99/53/20/1169995320.db2.gz NOFYKBRXEXCOQF-LSDHHAIUSA-N 1 0 231.339 2.420 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@@H](C)CCC1(C)C ZINC001333643408 975926253 /nfs/dbraw/zinc/92/62/53/975926253.db2.gz PXJBQFNVZAAXAZ-UWVGGRQHSA-N 1 0 244.766 2.246 20 30 BEEDRO N#Cc1cc(F)cc(Nc2cc[nH+]cc2)c1 ZINC001173882644 975930748 /nfs/dbraw/zinc/93/07/48/975930748.db2.gz NMTPZRASWDPXFD-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO COc1ccc(Nc2cc[nH+]cc2)cc1C#N ZINC001173883361 975957600 /nfs/dbraw/zinc/95/76/00/975957600.db2.gz GWTRNTJLBYNSCU-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO N#Cc1ccc(F)c(Nc2cc[nH+]cc2)c1 ZINC001173883663 975960007 /nfs/dbraw/zinc/96/00/07/975960007.db2.gz PFJGBXWMHXJZKM-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](CCC)CCC=C ZINC001333718518 976029507 /nfs/dbraw/zinc/02/95/07/976029507.db2.gz ILRLZGAILOGQAF-CHWSQXEVSA-N 1 0 209.333 2.095 20 30 BEEDRO C=C(C)CN(C)c1cc(N)[nH+]cc1Cl ZINC001333748150 976053051 /nfs/dbraw/zinc/05/30/51/976053051.db2.gz NACWWSOPEIFIHR-UHFFFAOYSA-N 1 0 211.696 2.330 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CCCC(F)(F)F)C1 ZINC001333853912 976122328 /nfs/dbraw/zinc/12/23/28/976122328.db2.gz FVEOXLQCDQMPCC-LLVKDONJSA-N 1 0 248.292 2.016 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1c1ccccc1 ZINC001334070673 976268946 /nfs/dbraw/zinc/26/89/46/976268946.db2.gz NBVYEELDFDRMHO-HUUCEWRRSA-N 1 0 244.338 2.488 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001334205194 976376456 /nfs/dbraw/zinc/37/64/56/976376456.db2.gz AEJMARJGWQPKMD-WUHRBBMRSA-N 1 0 209.333 2.144 20 30 BEEDRO C=CCc1ccccc1O[C@@H]1CC[N@@H+](C)C1 ZINC001228844504 976518791 /nfs/dbraw/zinc/51/87/91/976518791.db2.gz QIGNMPVCRFUZNV-CYBMUJFWSA-N 1 0 217.312 2.498 20 30 BEEDRO C#CCC1([NH2+]Cc2ncccc2C)CCC1 ZINC001334563791 976556993 /nfs/dbraw/zinc/55/69/93/976556993.db2.gz HIKAKJNFOBKERF-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)noc1CC)CC1CC1 ZINC001334625545 976570914 /nfs/dbraw/zinc/57/09/14/976570914.db2.gz JXAANEHIULKMKL-UHFFFAOYSA-N 1 0 232.327 2.391 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]1CC ZINC001353407120 1170005527 /nfs/dbraw/zinc/00/55/27/1170005527.db2.gz YVLKFQVWVSAWGG-AGIUHOORSA-N 1 0 238.375 2.365 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1occc1C ZINC001334907280 976786986 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/nfs/dbraw/zinc/89/99/73/977899973.db2.gz DGVJPGIKYYYJAR-UHFFFAOYSA-N 1 0 238.294 2.439 20 30 BEEDRO Cc1cc(Nc2cnccc2C#N)cc(C)[nH+]1 ZINC001176055132 977902049 /nfs/dbraw/zinc/90/20/49/977902049.db2.gz UFHPECFLNQEOTO-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cc(Nc2ccc(O)cc2C#N)cc(C)[nH+]1 ZINC001176058348 977906430 /nfs/dbraw/zinc/90/64/30/977906430.db2.gz ZITLOGQWDYMIKK-UHFFFAOYSA-N 1 0 239.278 2.441 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)CC1 ZINC001336770957 977938973 /nfs/dbraw/zinc/93/89/73/977938973.db2.gz PXBAXHUUHKTISE-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@H](O)Cc1ccccc1 ZINC001336785730 977960845 /nfs/dbraw/zinc/96/08/45/977960845.db2.gz SPTFLZVNZAOEGC-GXTWGEPZSA-N 1 0 219.328 2.144 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(COC)n2)C1 ZINC001232256789 977980803 /nfs/dbraw/zinc/98/08/03/977980803.db2.gz BFTOMGCKOKEIIE-ZDUSSCGKSA-N 1 0 244.338 2.073 20 30 BEEDRO C[NH+](C)Cc1ccc(Nc2oncc2C#N)cc1 ZINC001176293125 978013877 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/nfs/dbraw/zinc/08/90/50/978089050.db2.gz KLKPXJAIOUUHGN-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCn1cc(Nc2c[nH+]ccc2N(C)C)cn1 ZINC001176543534 978103621 /nfs/dbraw/zinc/10/36/21/978103621.db2.gz GVXVEZIOPVYHAH-UHFFFAOYSA-N 1 0 243.314 2.274 20 30 BEEDRO CC[N@H+](Cc1cc(C#N)ccn1)C(C)C ZINC001232474408 978124445 /nfs/dbraw/zinc/12/44/45/978124445.db2.gz CDNTUFVMQMAJDI-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001337077464 978156449 /nfs/dbraw/zinc/15/64/49/978156449.db2.gz ZORNTZQXHGKRED-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001337077465 978157965 /nfs/dbraw/zinc/15/79/65/978157965.db2.gz ZORNTZQXHGKRED-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH+](CC=C)Cc1c[nH]c2ncncc12 ZINC001232656923 978218256 /nfs/dbraw/zinc/21/82/56/978218256.db2.gz JYOCNCMEVSAJEE-UHFFFAOYSA-N 1 0 228.299 2.084 20 30 BEEDRO C=CCN1CC[NH+](Cc2ccccc2NC)CC1 ZINC001232671661 978224761 /nfs/dbraw/zinc/22/47/61/978224761.db2.gz OSXGCCSBWCIDNU-UHFFFAOYSA-N 1 0 245.370 2.032 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)s1 ZINC001232844166 978311109 /nfs/dbraw/zinc/31/11/09/978311109.db2.gz HZWPACXSNICWQH-ZDUSSCGKSA-N 1 0 248.351 2.375 20 30 BEEDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#N)s1 ZINC001232843902 978311459 /nfs/dbraw/zinc/31/14/59/978311459.db2.gz HGZHYTKJMXTHKJ-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)n1 ZINC001232922493 978337260 /nfs/dbraw/zinc/33/72/60/978337260.db2.gz HPQQKQGXKURNMR-SKDRFNHKSA-N 1 0 249.264 2.040 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c(C#N)c1 ZINC001232961898 978358768 /nfs/dbraw/zinc/35/87/68/978358768.db2.gz ITSQZFLDNFKHJS-OCCSQVGLSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c(C#N)c1 ZINC001232964308 978358985 /nfs/dbraw/zinc/35/89/85/978358985.db2.gz VOBUGLCDKRRAFW-DOMZBBRYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(CN2CC[C@H]2C)c(C#N)c1 ZINC001232963105 978359422 /nfs/dbraw/zinc/35/94/22/978359422.db2.gz XWUKKGURRZESBY-LLVKDONJSA-N 1 0 200.285 2.461 20 30 BEEDRO Cc1ccc(CN2CCOC[C@@H](C)C2)c(C#N)c1 ZINC001232961918 978359808 /nfs/dbraw/zinc/35/98/08/978359808.db2.gz JRLQEDOSFSVWIO-ZDUSSCGKSA-N 1 0 244.338 2.335 20 30 BEEDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(C#N)c1 ZINC001232961845 978363295 /nfs/dbraw/zinc/36/32/95/978363295.db2.gz GDBZIARCNJMZFV-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO C#C[C@H](CCCC)OCC[NH+]1CCCC1 ZINC001206309788 978418343 /nfs/dbraw/zinc/41/83/43/978418343.db2.gz VOIRRZLNNXZNON-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(C)C[NH2+]CCCCCCNC(=O)C(F)F ZINC001177710957 978418827 /nfs/dbraw/zinc/41/88/27/978418827.db2.gz GTBDDMDJCOKGBQ-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO C#CCC[NH2+]CCCCCCNC(=O)CCC ZINC001177759277 978428172 /nfs/dbraw/zinc/42/81/72/978428172.db2.gz PNBOVOOVTBUAKQ-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C[N@@H+](Cc1[nH]ccc1C#N)CC1CC(F)(F)C1 ZINC001233047194 978434231 /nfs/dbraw/zinc/43/42/31/978434231.db2.gz QXMVRUUYNNDNKA-UHFFFAOYSA-N 1 0 239.269 2.363 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(O)c2F)C1 ZINC001233057750 978455181 /nfs/dbraw/zinc/45/51/81/978455181.db2.gz NXLNBAXFGWCPJD-LLVKDONJSA-N 1 0 233.286 2.377 20 30 BEEDRO C=CCCC(=O)NCCCCCC[NH2+]CC ZINC001178008365 978488595 /nfs/dbraw/zinc/48/85/95/978488595.db2.gz YLHOTOOEEYFNLC-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO Cc1c[nH]c(=O)c(C[NH+]2CCC(CC#N)CC2)c1 ZINC001233193342 978495267 /nfs/dbraw/zinc/49/52/67/978495267.db2.gz XWZSVQVKFWJOTE-UHFFFAOYSA-N 1 0 245.326 2.221 20 30 BEEDRO SC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC001233239667 978511781 /nfs/dbraw/zinc/51/17/81/978511781.db2.gz NXCGKXGTOHZYOI-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC001178131506 978515545 /nfs/dbraw/zinc/51/55/45/978515545.db2.gz UCDVYSBPPKSWGL-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cccc3c2CCO3)C1 ZINC001233276806 978524381 /nfs/dbraw/zinc/52/43/81/978524381.db2.gz AZTGMZXDZFPGEO-ZDUSSCGKSA-N 1 0 241.334 2.467 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)/C(C)=C/CC)[C@H]1C ZINC001178240433 978529137 /nfs/dbraw/zinc/52/91/37/978529137.db2.gz WSDPLPXDRHGEEY-XBJLJFKASA-N 1 0 236.359 2.108 20 30 BEEDRO CCCCCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000691597341 978542282 /nfs/dbraw/zinc/54/22/82/978542282.db2.gz BLSKAHQFYZLJOZ-LBPRGKRZSA-N 1 0 239.363 2.094 20 30 BEEDRO CCCCCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000691597338 978542788 /nfs/dbraw/zinc/54/27/88/978542788.db2.gz BLSKAHQFYZLJOZ-GFCCVEGCSA-N 1 0 239.363 2.094 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)CCC)[C@H]1C ZINC001178371254 978548263 /nfs/dbraw/zinc/54/82/63/978548263.db2.gz TXTFFJABLNJPEO-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C#Cc1ccc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)nc1 ZINC001337885625 978548068 /nfs/dbraw/zinc/54/80/68/978548068.db2.gz UKJGXRLAYBKTGQ-WCQYABFASA-N 1 0 241.338 2.100 20 30 BEEDRO C#CC[N@H+](C)CCCNc1cc(Cl)ccn1 ZINC001337896570 978556847 /nfs/dbraw/zinc/55/68/47/978556847.db2.gz XZHBVFJRVCVJQS-UHFFFAOYSA-N 1 0 237.734 2.102 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(O)c(O)cc1O ZINC001233486633 978611705 /nfs/dbraw/zinc/61/17/05/978611705.db2.gz VTLYZNQJHJJFOE-UHFFFAOYSA-N 1 0 237.299 2.201 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC001338114405 978614554 /nfs/dbraw/zinc/61/45/54/978614554.db2.gz ZVGQEDUKURJLKM-SMDDNHRTSA-N 1 0 247.338 2.473 20 30 BEEDRO C=CCCC[N@H+](C)CCCNC(=O)C=C(C)C ZINC001233543803 978620813 /nfs/dbraw/zinc/62/08/13/978620813.db2.gz ALBIBJMEGGXEEC-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C1CC(C)C1 ZINC001277791624 978627026 /nfs/dbraw/zinc/62/70/26/978627026.db2.gz CMNCZTWOHQPTGT-OTTFEQOBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)NCCCCCC[NH2+]CC ZINC001179230647 978682115 /nfs/dbraw/zinc/68/21/15/978682115.db2.gz PLRBUBZFMKTIQF-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C/C=C(/C)C=C)[C@H]1C ZINC001179351845 978694326 /nfs/dbraw/zinc/69/43/26/978694326.db2.gz VPNQDSXWNUJFKB-OBFMZJQYSA-N 1 0 248.370 2.274 20 30 BEEDRO C=CCCC[N@H+](C)CCCNC(=O)c1ccc[nH]1 ZINC001233888246 978725059 /nfs/dbraw/zinc/72/50/59/978725059.db2.gz NGXUQQNZAREGCS-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C#Cc1ccc(OC2CCC([NH+](C)C)CC2)nc1 ZINC001233965498 978739070 /nfs/dbraw/zinc/73/90/70/978739070.db2.gz IRKMRQLTFMIOJX-UHFFFAOYSA-N 1 0 244.338 2.315 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC001338835727 978742124 /nfs/dbraw/zinc/74/21/24/978742124.db2.gz CGMFDMOGCOTKIT-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C#CCC[N@@H+](C)CCCNC(=O)CCCCC ZINC001233987900 978747188 /nfs/dbraw/zinc/74/71/88/978747188.db2.gz LKXHYNQJHVZLKD-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CCC[N@H+](C)CCCNC(=O)CC(C)(C)C ZINC001234005493 978750602 /nfs/dbraw/zinc/75/06/02/978750602.db2.gz LRNASFWBKNTXFE-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(C)=NO)cc2)C1 ZINC001234083830 978768309 /nfs/dbraw/zinc/76/83/09/978768309.db2.gz SGFFLWIHFRCRNN-AWEZNQCLSA-N 1 0 248.326 2.358 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)/C(C)=C/C ZINC001277832472 978778521 /nfs/dbraw/zinc/77/85/21/978778521.db2.gz SWDWACSFQOXNHI-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)CCC ZINC001277832282 978779388 /nfs/dbraw/zinc/77/93/88/978779388.db2.gz RPZZJLMPWZEXKP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)[C@H](C)CC ZINC001234136844 978780874 /nfs/dbraw/zinc/78/08/74/978780874.db2.gz LFBBKLBSYYWDJO-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC001339148805 978805610 /nfs/dbraw/zinc/80/56/10/978805610.db2.gz PLVFNOKBQBMYJH-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCc1ccc(OCCC[NH+](C)C)nc1 ZINC001249953376 978806232 /nfs/dbraw/zinc/80/62/32/978806232.db2.gz CIIQTTULOLEIKM-UHFFFAOYSA-N 1 0 220.316 2.141 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1nc2cc(C#N)ccc2o1 ZINC001234455417 978841130 /nfs/dbraw/zinc/84/11/30/978841130.db2.gz DHSACLQAENYCGX-VIFPVBQESA-N 1 0 245.282 2.028 20 30 BEEDRO CC(C)COC1C[NH+](C[C@@H](C)CCC#N)C1 ZINC001180345496 978864355 /nfs/dbraw/zinc/86/43/55/978864355.db2.gz XGWWOFHPVLRIMP-LBPRGKRZSA-N 1 0 224.348 2.283 20 30 BEEDRO C#Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nc1 ZINC001339537052 978865088 /nfs/dbraw/zinc/86/50/88/978865088.db2.gz WDGIXDNQIGKSJW-UONOGXRCSA-N 1 0 241.338 2.102 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1C(C)C ZINC001234624273 978875815 /nfs/dbraw/zinc/87/58/15/978875815.db2.gz AGYMLLXRWZPQTF-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCN(C(=O)CC)C1 ZINC001180539790 978902289 /nfs/dbraw/zinc/90/22/89/978902289.db2.gz WWKRZYDOTCRCDX-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)C1 ZINC001204278698 978932738 /nfs/dbraw/zinc/93/27/38/978932738.db2.gz IRWLSEVAWNNLFX-NSHDSACASA-N 1 0 246.310 2.223 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001180701206 978933550 /nfs/dbraw/zinc/93/35/50/978933550.db2.gz ORNMFQYJYGPDOV-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC)C2 ZINC001110239926 978942456 /nfs/dbraw/zinc/94/24/56/978942456.db2.gz ADCOGZQEPVVDLN-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC001340064431 978963030 /nfs/dbraw/zinc/96/30/30/978963030.db2.gz NWXMFVPSMPSJNH-NEPJUHHUSA-N 1 0 249.358 2.460 20 30 BEEDRO C=CCCCCCN1CCCC12C[NH2+]C2 ZINC001235095024 978973705 /nfs/dbraw/zinc/97/37/05/978973705.db2.gz OJODRGWHHMWYAV-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCCC)C1 ZINC001181006908 978981630 /nfs/dbraw/zinc/98/16/30/978981630.db2.gz WJTVYANCLJYASM-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO CCCCCCCN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001235214611 978998955 /nfs/dbraw/zinc/99/89/55/978998955.db2.gz YHZBIFDXCPTDBI-CHWSQXEVSA-N 1 0 210.365 2.251 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(CC)n2)C1 ZINC001235262020 979013957 /nfs/dbraw/zinc/01/39/57/979013957.db2.gz VUVXHEAPKVXKNS-CYBMUJFWSA-N 1 0 228.339 2.489 20 30 BEEDRO CCCCCCCN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235292700 979018702 /nfs/dbraw/zinc/01/87/02/979018702.db2.gz IHMKLVMEJHVDHZ-STQMWFEESA-N 1 0 210.365 2.393 20 30 BEEDRO CCCCCCCN1CCC[C@H]2[NH2+]C[C@@H]21 ZINC001235292696 979019814 /nfs/dbraw/zinc/01/98/14/979019814.db2.gz IHMKLVMEJHVDHZ-OLZOCXBDSA-N 1 0 210.365 2.393 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(C)cnc2F)CC1 ZINC001235346637 979030722 /nfs/dbraw/zinc/03/07/22/979030722.db2.gz TYDPUKUEBINGLI-UHFFFAOYSA-N 1 0 232.302 2.374 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2CC#N)CCCO1 ZINC001235512925 979062751 /nfs/dbraw/zinc/06/27/51/979062751.db2.gz XTTAXWJWDOXNMG-ZDUSSCGKSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)C1CCC1 ZINC001340718647 979077232 /nfs/dbraw/zinc/07/72/32/979077232.db2.gz XQHDAQUTAQEFKB-LBPRGKRZSA-N 1 0 224.348 2.071 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(N)c1C ZINC001340822871 979119334 /nfs/dbraw/zinc/11/93/34/979119334.db2.gz DNTNKBSOHZTVCB-GFCCVEGCSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001181501604 979122550 /nfs/dbraw/zinc/12/25/50/979122550.db2.gz JWGQXLCYUDJKJU-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCN(Cc1ccccc1)C[C@H](C)[NH3+] ZINC001235702602 979130480 /nfs/dbraw/zinc/13/04/80/979130480.db2.gz NABWQJAVKFEBQO-ZDUSSCGKSA-N 1 0 218.344 2.412 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001340858455 979131906 /nfs/dbraw/zinc/13/19/06/979131906.db2.gz QLPCTYJORVWHDI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C[C@H]([NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC001340900046 979148582 /nfs/dbraw/zinc/14/85/82/979148582.db2.gz IZTPKSVTUBWECS-LBPRGKRZSA-N 1 0 245.326 2.260 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(F)c(OCC)c1 ZINC001235803902 979152969 /nfs/dbraw/zinc/15/29/69/979152969.db2.gz WXYQHJZBSLKKCD-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO N#Cc1cc(-c2cc(C[NH3+])ccn2)ccc1F ZINC001235900356 979174328 /nfs/dbraw/zinc/17/43/28/979174328.db2.gz FKBQULKWPAFSML-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CC(C)C ZINC001340974590 979179877 /nfs/dbraw/zinc/17/98/77/979179877.db2.gz XLIXVELZQFYKHN-RYUDHWBXSA-N 1 0 226.364 2.221 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC2(CC2)C1 ZINC001235934033 979212209 /nfs/dbraw/zinc/21/22/09/979212209.db2.gz XAPWZSYQDBVDHR-UHFFFAOYSA-N 1 0 210.365 2.395 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@@H](c2ccc(F)cc2)C1 ZINC001235949687 979216487 /nfs/dbraw/zinc/21/64/87/979216487.db2.gz RDNWCDLPDFJNHU-CQSZACIVSA-N 1 0 248.345 2.391 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341153808 979257128 /nfs/dbraw/zinc/25/71/28/979257128.db2.gz HPDMANJGDVCIDO-BDAKNGLRSA-N 1 0 223.238 2.214 20 30 BEEDRO C#Cc1ccc(CN(CC)[C@H]2CCC[NH2+]C2)cc1 ZINC001236005202 979290674 /nfs/dbraw/zinc/29/06/74/979290674.db2.gz BSNPJMCUCFAUFY-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001341250715 979297721 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980015879 /nfs/dbraw/zinc/01/58/79/980015879.db2.gz COGREMMATNFZPO-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCCCN(CC)C(=O)CCCC[NH2+]C ZINC001343126610 980018630 /nfs/dbraw/zinc/01/86/30/980018630.db2.gz WDEDGFMJCPKKQU-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001343138261 980021320 /nfs/dbraw/zinc/02/13/20/980021320.db2.gz CUIWAEPVGXTFRJ-NWDGAFQWSA-N 1 0 243.322 2.128 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001343219714 980038298 /nfs/dbraw/zinc/03/82/98/980038298.db2.gz FMXDKCSOKYUJMX-NEPJUHHUSA-N 1 0 225.332 2.367 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CCc1ccc(F)cc1 ZINC001343221577 980042164 /nfs/dbraw/zinc/04/21/64/980042164.db2.gz AGTMZAVSGWWUSX-HNNXBMFYSA-N 1 0 249.329 2.386 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC001343345796 980074547 /nfs/dbraw/zinc/07/45/47/980074547.db2.gz XMLHAERENFIFSR-KYEXWDHISA-N 1 0 248.370 2.071 20 30 BEEDRO C#CC[N@@H+](Cc1cncc(C)c1)CC1CC1 ZINC001343375044 980086462 /nfs/dbraw/zinc/08/64/62/980086462.db2.gz HTRUEBNTQJRRQF-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001343375016 980086863 /nfs/dbraw/zinc/08/68/63/980086863.db2.gz GOYPHLNCMYZJCB-CQSZACIVSA-N 1 0 232.327 2.167 20 30 BEEDRO C=C/C(C)=C\CC(=O)N1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC001184983058 980158049 /nfs/dbraw/zinc/15/80/49/980158049.db2.gz XWWFNNQKFFLGBH-CNTYAEFGSA-N 1 0 248.370 2.275 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C(C)C)C(C)C ZINC001343608224 980160667 /nfs/dbraw/zinc/16/06/67/980160667.db2.gz CNANJSTTZWHCSY-JTQLQIEISA-N 1 0 246.782 2.253 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC001185064031 980165326 /nfs/dbraw/zinc/16/53/26/980165326.db2.gz KGVNKTGIROIHAX-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO Cc1ncncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001238175151 980210206 /nfs/dbraw/zinc/21/02/06/980210206.db2.gz IVQFMSRHBOKISW-DEZZGGKRSA-N 1 0 242.326 2.052 20 30 BEEDRO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)CC ZINC001151474812 980224939 /nfs/dbraw/zinc/22/49/39/980224939.db2.gz OEXJWIDLAYBQEA-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001343745682 980231997 /nfs/dbraw/zinc/23/19/97/980231997.db2.gz QOBPPWRHCIXQSK-OLZOCXBDSA-N 1 0 237.343 2.204 20 30 BEEDRO Cc1cnc(C[NH+]2CCC(C#N)CC2)c(C)c1 ZINC001238432254 980261025 /nfs/dbraw/zinc/26/10/25/980261025.db2.gz GNAHBAZULDGRNX-UHFFFAOYSA-N 1 0 229.327 2.434 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\CC)[C@@H]1C ZINC001278235221 980266420 /nfs/dbraw/zinc/26/64/20/980266420.db2.gz WSDPLPXDRHGEEY-CUOXCHRPSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CC1CC1 ZINC001151493436 980272608 /nfs/dbraw/zinc/27/26/08/980272608.db2.gz SJJJKYYPDWRFRU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)C2=CCC[NH2+]CC2)C1 ZINC001343985092 980305407 /nfs/dbraw/zinc/30/54/07/980305407.db2.gz ABIAQYCGIAYNMU-CYBMUJFWSA-N 1 0 248.370 2.111 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccn1C1CC1)[C@H]1CCCO1 ZINC001344068667 980335191 /nfs/dbraw/zinc/33/51/91/980335191.db2.gz FXAOURXWVFEVPI-LSDHHAIUSA-N 1 0 244.338 2.093 20 30 BEEDRO Cc1cc(C#N)cc(C2=CCC[NH2+]CC2)n1 ZINC001238939279 980375943 /nfs/dbraw/zinc/37/59/43/980375943.db2.gz CCSOWFYIJJSPCN-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@@H]2CC[C@H](C)C2)CC1 ZINC001344372671 980379043 /nfs/dbraw/zinc/37/90/43/980379043.db2.gz BHGRXSCTCCTAHN-QWHCGFSZSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CC1(c2ccnc(C3=CCC[NH2+]CC3)c2)CC1 ZINC001238940432 980380100 /nfs/dbraw/zinc/38/01/00/980380100.db2.gz MVGAHZLAFULEBB-UHFFFAOYSA-N 1 0 239.322 2.404 20 30 BEEDRO O/N=C/c1cccc(C2=CCC[NH2+]CC2)c1 ZINC001238946442 980385713 /nfs/dbraw/zinc/38/57/13/980385713.db2.gz VTNMEBNMTVGINA-XNTDXEJSSA-N 1 0 216.284 2.262 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001186531166 980394630 /nfs/dbraw/zinc/39/46/30/980394630.db2.gz QHLUZTZIDOWBOX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ncc(-c2ccccc2C[NH3+])cc1F ZINC001238991242 980409603 /nfs/dbraw/zinc/40/96/03/980409603.db2.gz JXRKTSHZGASFJP-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#Cc1ncc(-c2ccc3c[nH+]cn3c2)cc1F ZINC001238991304 980409910 /nfs/dbraw/zinc/40/99/10/980409910.db2.gz XLIYBSDWAKRBEO-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001186629840 980414935 /nfs/dbraw/zinc/41/49/35/980414935.db2.gz FISMPCAYNLGLKR-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)c1noc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC001344580680 980435036 /nfs/dbraw/zinc/43/50/36/980435036.db2.gz QPIMLHAAPRNCIX-GHMZBOCLSA-N 1 0 248.330 2.017 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344729101 980458226 /nfs/dbraw/zinc/45/82/26/980458226.db2.gz DVZHLRZKMSBKGR-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCCNC(=O)N[C@H](CC)C[NH3+] ZINC001239234725 980500766 /nfs/dbraw/zinc/50/07/66/980500766.db2.gz OYJXMIAVKPHFKI-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCNC(=O)NCC[NH2+]C(C)C ZINC001239252271 980503190 /nfs/dbraw/zinc/50/31/90/980503190.db2.gz BRNINJIQWFGRJX-UHFFFAOYSA-N 1 0 243.395 2.254 20 30 BEEDRO CCCCCCCNC(=O)N[C@H]1C[C@H]([NH2+]C)C1 ZINC001239252276 980503640 /nfs/dbraw/zinc/50/36/40/980503640.db2.gz BUKVQGPRSWNJAI-HAQNSBGRSA-N 1 0 241.379 2.006 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@]1(CC)CCC[NH2+]1 ZINC001345604001 980643043 /nfs/dbraw/zinc/64/30/43/980643043.db2.gz YVMQZPYFJPOFOA-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC001345868891 980699823 /nfs/dbraw/zinc/69/98/23/980699823.db2.gz FRCMMHPJERGADZ-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC001188906330 980720558 /nfs/dbraw/zinc/72/05/58/980720558.db2.gz NPCKIYNETGRSNO-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1nccn1CC(=O)[C@H](C#N)c1ccccc1 ZINC001188995182 980730429 /nfs/dbraw/zinc/73/04/29/980730429.db2.gz BNSFAJZLEWTEMP-CYBMUJFWSA-N 1 0 239.278 2.068 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)CCC(C)C)CC1 ZINC001346160319 980769723 /nfs/dbraw/zinc/76/97/23/980769723.db2.gz BPBYIUMISMHQCM-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001189462454 980795428 /nfs/dbraw/zinc/79/54/28/980795428.db2.gz WBVMLLNWAFJPBD-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001189592729 980805765 /nfs/dbraw/zinc/80/57/65/980805765.db2.gz BLSBFMDBHMOEMJ-MVXISAMASA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(CC)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC001346369036 980820697 /nfs/dbraw/zinc/82/06/97/980820697.db2.gz HCJJXVSNYXEKFB-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)/C=C(\C)CC)C1 ZINC001189997010 980841510 /nfs/dbraw/zinc/84/15/10/980841510.db2.gz XNLREUHMSXYFGP-XSNHNAGMSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001346473070 980843428 /nfs/dbraw/zinc/84/34/28/980843428.db2.gz CMABBAAVKBFTQL-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1cc(C#N)c(-c2cncc(C[NH3+])c2)nc1C ZINC001239786501 980918595 /nfs/dbraw/zinc/91/85/95/980918595.db2.gz KOTMPDHMGGTZPS-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/C)C2 ZINC001110432400 980939762 /nfs/dbraw/zinc/93/97/62/980939762.db2.gz XYRWCLCAWQSYOR-YQUHTDHPSA-N 1 0 248.370 2.250 20 30 BEEDRO CCC#C[C@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001191173922 980989864 /nfs/dbraw/zinc/98/98/64/980989864.db2.gz KQQHZZZLDFTCKQ-UONOGXRCSA-N 1 0 222.376 2.062 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(O)(CC)CC1 ZINC001191259263 981001763 /nfs/dbraw/zinc/00/17/63/981001763.db2.gz UWWNUWCVZCJXED-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC001347192348 981008316 /nfs/dbraw/zinc/00/83/16/981008316.db2.gz CQNYPAZZGSXPOM-WMLDXEAASA-N 1 0 249.379 2.171 20 30 BEEDRO C=C(CC(C)C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC001347318593 981045278 /nfs/dbraw/zinc/04/52/78/981045278.db2.gz YGAWFEIQCUUWJI-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC001347341681 981052727 /nfs/dbraw/zinc/05/27/27/981052727.db2.gz SHMFTLQIQAIDOJ-UKRRQHHQSA-N 1 0 242.322 2.336 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001191912352 981093081 /nfs/dbraw/zinc/09/30/81/981093081.db2.gz NUKVWYLKLYXJHR-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC001192501027 981162645 /nfs/dbraw/zinc/16/26/45/981162645.db2.gz LNOZVDWPOUTQHA-HNNXBMFYSA-N 1 0 246.354 2.475 20 30 BEEDRO C#Cc1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)nc1 ZINC001347956910 981227497 /nfs/dbraw/zinc/22/74/97/981227497.db2.gz SCYOUPWYSBNKKA-CQSZACIVSA-N 1 0 243.354 2.205 20 30 BEEDRO N#Cc1cc(-c2cnc(C[NH3+])nc2)ccc1Cl ZINC001240402013 981357576 /nfs/dbraw/zinc/35/75/76/981357576.db2.gz JWOXUVWMRAVEAX-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO N#Cc1cc(C2=CC[NH2+]CC2)nc2ccccc12 ZINC001240465633 981397592 /nfs/dbraw/zinc/39/75/92/981397592.db2.gz FLSNCISXXPHTMR-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO N#CCc1ccc(C2=CC[NH2+]CC2)cc1F ZINC001240467349 981401661 /nfs/dbraw/zinc/40/16/61/981401661.db2.gz DVORCRLGVBTFNM-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO COc1ccc(C2=CC[NH2+]CC2)c(CC#N)c1 ZINC001240466865 981401770 /nfs/dbraw/zinc/40/17/70/981401770.db2.gz IWNHSDBZDMFUOX-UHFFFAOYSA-N 1 0 228.295 2.138 20 30 BEEDRO N#Cc1c(F)ccc(C2=CC[NH2+]CC2)c1F ZINC001240469603 981405882 /nfs/dbraw/zinc/40/58/82/981405882.db2.gz FKPNUEAQVMDHDP-UHFFFAOYSA-N 1 0 220.222 2.213 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)Nc1cccc(C#N)n1 ZINC001348657483 981417367 /nfs/dbraw/zinc/41/73/67/981417367.db2.gz BBLRBWQVFOYEFW-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCCCCCCOC(=O)NCC[NH+]1CCC1 ZINC001194019622 981534338 /nfs/dbraw/zinc/53/43/38/981534338.db2.gz OYSSEFMJRYDKLF-UHFFFAOYSA-N 1 0 242.363 2.389 20 30 BEEDRO C#CC[N@@H+](C)C[C@](O)(c1ccccc1)C(C)C ZINC001194058302 981541538 /nfs/dbraw/zinc/54/15/38/981541538.db2.gz LSOWHVINCXSIRI-OAHLLOKOSA-N 1 0 231.339 2.095 20 30 BEEDRO O/N=C/c1ccc(C2=CCC[NH2+]C2)cc1F ZINC001240671009 981579475 /nfs/dbraw/zinc/57/94/75/981579475.db2.gz PIDPJKYMQNNOGC-OVCLIPMQSA-N 1 0 220.247 2.011 20 30 BEEDRO C/C(=N\O)c1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240671409 981581876 /nfs/dbraw/zinc/58/18/76/981581876.db2.gz URHOPEIYNYONDU-XNTDXEJSSA-N 1 0 216.284 2.262 20 30 BEEDRO C=CCOC(=O)NCCC[NH+]1CCC(C)CC1 ZINC001194327944 981675956 /nfs/dbraw/zinc/67/59/56/981675956.db2.gz DKFKQMABSJDYNK-UHFFFAOYSA-N 1 0 240.347 2.021 20 30 BEEDRO C=CCOC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001194349441 981717355 /nfs/dbraw/zinc/71/73/55/981717355.db2.gz OKOPKENEKSIGMZ-RYUDHWBXSA-N 1 0 240.347 2.017 20 30 BEEDRO C=CCOC(=O)NCCC[N@@H+](C)CCCC ZINC001194331201 981762347 /nfs/dbraw/zinc/76/23/47/981762347.db2.gz VIFKOPGHUAGWMU-UHFFFAOYSA-N 1 0 228.336 2.021 20 30 BEEDRO C=C(C)c1ccc(CN2CC[C@@H]([NH3+])C2)cc1 ZINC001240836358 981880138 /nfs/dbraw/zinc/88/01/38/981880138.db2.gz FOKAKVKPMULJHI-CQSZACIVSA-N 1 0 216.328 2.253 20 30 BEEDRO Cc1cc(C=C2CC[NH2+]CC2)ncc1C#N ZINC001240873359 981912121 /nfs/dbraw/zinc/91/21/21/981912121.db2.gz BKHKCQHPBHASEC-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO N#Cc1c(F)cccc1C=C1CC[NH2+]CC1 ZINC001240876099 981923243 /nfs/dbraw/zinc/92/32/43/981923243.db2.gz QZWMIHDDOQAZBM-UHFFFAOYSA-N 1 0 216.259 2.464 20 30 BEEDRO N#Cc1c[nH]c2ncc(C=C3CC[NH2+]CC3)cc12 ZINC001240878971 981936373 /nfs/dbraw/zinc/93/63/73/981936373.db2.gz XOLHDFXMKHXPAN-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CC2CC=CC2)C1 ZINC001350370695 981946660 /nfs/dbraw/zinc/94/66/60/981946660.db2.gz FFIJQEHCIRKOFC-CYBMUJFWSA-N 1 0 207.317 2.230 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccc(N(C)C)cc1 ZINC001240912975 981962134 /nfs/dbraw/zinc/96/21/34/981962134.db2.gz JFHZNALTFBGAIG-BUHFOSPRSA-N 1 0 218.300 2.332 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC001586480634 981996506 /nfs/dbraw/zinc/99/65/06/981996506.db2.gz LQTJEKKWPVAFIL-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)/C(C)=C\CC)CC1 ZINC001195079020 982059667 /nfs/dbraw/zinc/05/96/67/982059667.db2.gz HUDCUIOIJSEOQP-QPEQYQDCSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CCCC(=O)N1CCC[N@@H+](CC(=C)C)CC1 ZINC001195191843 982132763 /nfs/dbraw/zinc/13/27/63/982132763.db2.gz OXXRFMKKGOJKDY-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH+]2CCC(C#N)CC2)C1 ZINC000079840267 982150067 /nfs/dbraw/zinc/15/00/67/982150067.db2.gz LNHZDKJKMUFAHJ-STQMWFEESA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001351130040 982214700 /nfs/dbraw/zinc/21/47/00/982214700.db2.gz ZKKQMQLTQSDGKR-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CCOCC#C ZINC001351162860 982225493 /nfs/dbraw/zinc/22/54/93/982225493.db2.gz YKTLHOZNEZOPCF-UHFFFAOYSA-N 1 0 221.344 2.152 20 30 BEEDRO CC(C)([NH2+]C[C@H](O)CC#N)C1CCCCC1 ZINC001351414639 982313524 /nfs/dbraw/zinc/31/35/24/982313524.db2.gz SXTQVGOSODOEBD-GFCCVEGCSA-N 1 0 224.348 2.209 20 30 BEEDRO C[NH+](C)Cc1ccnc(-c2ccnc(C#N)c2)c1 ZINC001241187741 982332571 /nfs/dbraw/zinc/33/25/71/982332571.db2.gz DPQZKGHKNZDAMZ-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC001351904609 982406401 /nfs/dbraw/zinc/40/64/01/982406401.db2.gz DGDZTHAUTXNZMN-UTUOFQBUSA-N 1 0 238.375 2.329 20 30 BEEDRO C[N@H+]1CC=C(c2ccc(C3(C#N)CC3)cn2)CC1 ZINC001241309210 982451230 /nfs/dbraw/zinc/45/12/30/982451230.db2.gz PCQBOQSDEXPIRG-UHFFFAOYSA-N 1 0 239.322 2.356 20 30 BEEDRO C[N@H+]1CC=C(c2ccc(CC#N)cc2)CC1 ZINC001241316682 982466586 /nfs/dbraw/zinc/46/65/86/982466586.db2.gz BYWOAXVDJBGHIO-UHFFFAOYSA-N 1 0 212.296 2.472 20 30 BEEDRO COc1ccc(CC#N)cc1C1=CC[N@H+](C)CC1 ZINC001241320272 982479079 /nfs/dbraw/zinc/47/90/79/982479079.db2.gz ZWYWZZMLGFYPIF-UHFFFAOYSA-N 1 0 242.322 2.480 20 30 BEEDRO C[N@H+]1CC=C(c2cc(/C=N/O)ccc2F)CC1 ZINC001241330318 982490399 /nfs/dbraw/zinc/49/03/99/982490399.db2.gz PVMRYYUZWBOKKE-OQLLNIDSSA-N 1 0 234.274 2.353 20 30 BEEDRO COc1c(C#N)c(F)ccc1C1=CC[N@H+](C)CC1 ZINC001241331522 982497687 /nfs/dbraw/zinc/49/76/87/982497687.db2.gz BAJFOONRMSPFON-UHFFFAOYSA-N 1 0 246.285 2.425 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC(C)C ZINC001152313105 982510127 /nfs/dbraw/zinc/51/01/27/982510127.db2.gz GZKPOFJBIOSPOR-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC(C)C)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC001352452590 982530389 /nfs/dbraw/zinc/53/03/89/982530389.db2.gz RERMNJQBYOLJNM-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C#N)cc2)C1 ZINC001205805511 982568631 /nfs/dbraw/zinc/56/86/31/982568631.db2.gz QPHYFGGYLKYZTJ-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882157 982580358 /nfs/dbraw/zinc/58/03/58/982580358.db2.gz FHDFSDOXIZQOEG-LLVKDONJSA-N 1 0 246.310 2.223 20 30 BEEDRO N#Cc1ccc(-c2ccc3[nH+]c(N)[nH]c3c2)cn1 ZINC001241428560 982583162 /nfs/dbraw/zinc/58/31/62/982583162.db2.gz NSAXSKHRFAJATE-UHFFFAOYSA-N 1 0 235.250 2.079 20 30 BEEDRO N#Cc1ccc(-c2cccn3c[nH+]cc23)cn1 ZINC001241434306 982587940 /nfs/dbraw/zinc/58/79/40/982587940.db2.gz MEHFUWLGUCIELW-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)c1ccccc1C ZINC001480418537 982594687 /nfs/dbraw/zinc/59/46/87/982594687.db2.gz MQXRVTPKSKJJEP-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1 ZINC001352840398 982595759 /nfs/dbraw/zinc/59/57/59/982595759.db2.gz VPSQXVAQBRNSES-GJZGRUSLSA-N 1 0 247.313 2.263 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC001352840497 982596872 /nfs/dbraw/zinc/59/68/72/982596872.db2.gz VPSQXVAQBRNSES-LSDHHAIUSA-N 1 0 247.313 2.263 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC001352862004 982610328 /nfs/dbraw/zinc/61/03/28/982610328.db2.gz LAAFLGDHKNXJON-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)CC#N ZINC001352990045 982655041 /nfs/dbraw/zinc/65/50/41/982655041.db2.gz XTQXBIWTQAABRS-NSHDSACASA-N 1 0 245.326 2.284 20 30 BEEDRO C[C@]1(O)CCCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001203900157 982680159 /nfs/dbraw/zinc/68/01/59/982680159.db2.gz SOMGHVAILUQDTD-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO CCCCCCCC[NH2+][C@H](C)c1nnnn1C ZINC001198451781 982729938 /nfs/dbraw/zinc/72/99/38/982729938.db2.gz UWMOPLRWIIWHJZ-LLVKDONJSA-N 1 0 239.367 2.221 20 30 BEEDRO C=CCC(CC=C)C(=O)NCc1cc(N)cc[nH+]1 ZINC001353162625 982735833 /nfs/dbraw/zinc/73/58/33/982735833.db2.gz OFWZIPHXCCGKCZ-UHFFFAOYSA-N 1 0 245.326 2.048 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ccnc(CC)n2)CC1 ZINC001353238859 982794227 /nfs/dbraw/zinc/79/42/27/982794227.db2.gz MKBVOBFYSJGTHF-UHFFFAOYSA-N 1 0 246.358 2.101 20 30 BEEDRO Cc1cc(C#N)c(C2=CCC[N@@H+](C)C2)nc1C ZINC001241566230 982809319 /nfs/dbraw/zinc/80/93/19/982809319.db2.gz VRGPCLMUCJRLTE-UHFFFAOYSA-N 1 0 227.311 2.289 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc3[nH]c(C#N)cc3n2)C1 ZINC001241567102 982811782 /nfs/dbraw/zinc/81/17/82/982811782.db2.gz KSAZAOUJDLYIDA-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]C[C@H](C#N)CCC#N ZINC001353277344 982814662 /nfs/dbraw/zinc/81/46/62/982814662.db2.gz KIMHPEGBQUYMQY-OLZOCXBDSA-N 1 0 242.326 2.046 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc(F)cc2OCC#N)C1 ZINC001241570232 982821462 /nfs/dbraw/zinc/82/14/62/982821462.db2.gz YLBBFRDDQKEIMW-UHFFFAOYSA-N 1 0 246.285 2.447 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH+]2CCCC2)CN1CCCC#N ZINC001198622757 982823705 /nfs/dbraw/zinc/82/37/05/982823705.db2.gz NMYGYEXNLJLDHA-GJZGRUSLSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1Cc2ccccc2C1 ZINC001353304308 982829159 /nfs/dbraw/zinc/82/91/59/982829159.db2.gz ZQQVEYHQSMQONW-CQSZACIVSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CCCC(=O)N[C@H](C)CC[NH+](CC)CC ZINC001353484976 982870792 /nfs/dbraw/zinc/87/07/92/982870792.db2.gz AWLAAZOXDOUZPL-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001353597099 982905711 /nfs/dbraw/zinc/90/57/11/982905711.db2.gz OLIRDKNYNPHWRO-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001480533539 982956111 /nfs/dbraw/zinc/95/61/11/982956111.db2.gz WDCTVLWVWACZFU-TZMCWYRMSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C[C@H](C)O ZINC001251971301 983060815 /nfs/dbraw/zinc/06/08/15/983060815.db2.gz ADDACXGCGHAGDF-NWDGAFQWSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)C=C(C)C ZINC001273824241 983082700 /nfs/dbraw/zinc/08/27/00/983082700.db2.gz XHJLSHHQEHOSFQ-BQYQJAHWSA-N 1 0 236.359 2.181 20 30 BEEDRO Cc1cc(C#N)cnc1-c1ccc(C[NH3+])cc1 ZINC001241911271 983126307 /nfs/dbraw/zinc/12/63/07/983126307.db2.gz KPHMMVCQJADCGY-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO N#CCc1ccc(-c2ccc(C[NH3+])cc2)cn1 ZINC001241913673 983131204 /nfs/dbraw/zinc/13/12/04/983131204.db2.gz HSPFBNDFUTULLG-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO Cc1nccc(-c2ccc(C[NH3+])cc2)c1C#N ZINC001241918253 983138606 /nfs/dbraw/zinc/13/86/06/983138606.db2.gz WHQYOZQAPAIEBX-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C#Cc1ccc(NC[C@@H]2CC[N@@H+](CCC)C2)nc1 ZINC001354089681 983146153 /nfs/dbraw/zinc/14/61/53/983146153.db2.gz MFWVLSWGZWYHHW-AWEZNQCLSA-N 1 0 243.354 2.207 20 30 BEEDRO CCCCCCCNc1nccnc1C[NH3+] ZINC001354234824 983215281 /nfs/dbraw/zinc/21/52/81/983215281.db2.gz FQXIGGGQYAGSCW-UHFFFAOYSA-N 1 0 222.336 2.318 20 30 BEEDRO C[NH+](C)Cc1cccc(Nc2oncc2C#N)c1 ZINC001201393322 983217707 /nfs/dbraw/zinc/21/77/07/983217707.db2.gz ZVSGEMAOVWTEQY-UHFFFAOYSA-N 1 0 242.282 2.351 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)C1(Br)CC1 ZINC001354245415 983220271 /nfs/dbraw/zinc/22/02/71/983220271.db2.gz YZRSBMZWQQEJAO-BDAKNGLRSA-N 1 0 248.164 2.093 20 30 BEEDRO N#CCc1cccnc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020036 983225205 /nfs/dbraw/zinc/22/52/05/983225205.db2.gz IJXMUVRZNDGNMR-OLZOCXBDSA-N 1 0 225.295 2.055 20 30 BEEDRO CC[C@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201503209 983271354 /nfs/dbraw/zinc/27/13/54/983271354.db2.gz QVNGWPWQOZXDKT-ONGXEEELSA-N 1 0 225.357 2.307 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000338330144 983317839 /nfs/dbraw/zinc/31/78/39/983317839.db2.gz MRRHAPFPBPUYIU-ZDUSSCGKSA-N 1 0 242.322 2.274 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]CC1CCC(C#N)CC1 ZINC001354593749 983327440 /nfs/dbraw/zinc/32/74/40/983327440.db2.gz DTCXHUCTYVPMIC-JXQTWKCFSA-N 1 0 238.375 2.313 20 30 BEEDRO COc1ccc(C#N)cc1Nc1c[nH+]cn1C ZINC001201581005 983343817 /nfs/dbraw/zinc/34/38/17/983343817.db2.gz YTYBMQGKSWUHQQ-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C2(C)CC=CC2)C1 ZINC001100636789 983345007 /nfs/dbraw/zinc/34/50/07/983345007.db2.gz KOLQMYINCLJHHW-UHFFFAOYSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC1CC([NH2+]CC)C1 ZINC001100644971 983348352 /nfs/dbraw/zinc/34/83/52/983348352.db2.gz OLHDBMZEKZQKSZ-YIZWMMSDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)OCC ZINC001354721077 983349153 /nfs/dbraw/zinc/34/91/53/983349153.db2.gz AMMUNGJTUMIJMY-YNEHKIRRSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCOCCOCC ZINC001354722518 983350645 /nfs/dbraw/zinc/35/06/45/983350645.db2.gz HXXILEYXYGJPRQ-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO CCCN(CCC#N)Cc1cccnc1 ZINC001201633796 983361279 /nfs/dbraw/zinc/36/12/79/983361279.db2.gz LTPLAWMUGVFFAC-UHFFFAOYSA-N 1 0 203.289 2.207 20 30 BEEDRO C=C(C)CCC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC001200829339 983388917 /nfs/dbraw/zinc/38/89/17/983388917.db2.gz RIYAMHFBRNCLQP-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001201761517 983467525 /nfs/dbraw/zinc/46/75/25/983467525.db2.gz HLQZEMVRYZPIGW-NEPJUHHUSA-N 1 0 217.328 2.362 20 30 BEEDRO CCCCCCC[NH+]1CC2(C1)CCN(C)C2=O ZINC001201804502 983482316 /nfs/dbraw/zinc/48/23/16/983482316.db2.gz MNFZHVIIDPMYSV-UHFFFAOYSA-N 1 0 238.375 2.121 20 30 BEEDRO COc1cccc(-c2ccnc(C[NH3+])c2)c1C#N ZINC001242300909 983526133 /nfs/dbraw/zinc/52/61/33/983526133.db2.gz WHCMZJRPUPTTBY-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC001355641500 983532848 /nfs/dbraw/zinc/53/28/48/983532848.db2.gz VKCONTLTILBYJW-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC([NH2+]CC)CC1 ZINC001202138970 983574662 /nfs/dbraw/zinc/57/46/62/983574662.db2.gz RVCKXDLPVPBBAC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC(C)(C)COC)C1 ZINC000848923821 983587710 /nfs/dbraw/zinc/58/77/10/983587710.db2.gz KABYTZIYHGGJMQ-LBPRGKRZSA-N 1 0 209.333 2.004 20 30 BEEDRO Cc1cc(-c2ccc(CC[NH3+])cc2)cnc1C#N ZINC001242358155 983643947 /nfs/dbraw/zinc/64/39/47/983643947.db2.gz FIWFPYYWQUNOEA-UHFFFAOYSA-N 1 0 237.306 2.430 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC(C)(C)COC)C1 ZINC000848923820 983714900 /nfs/dbraw/zinc/71/49/00/983714900.db2.gz KABYTZIYHGGJMQ-GFCCVEGCSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001490445483 983724936 /nfs/dbraw/zinc/72/49/36/983724936.db2.gz AQVIGRQCWBMCMH-CZAWJFPGSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](CC=C(C)C)C1 ZINC001490529325 983728295 /nfs/dbraw/zinc/72/82/95/983728295.db2.gz DQXZHXALUIKHCX-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)[C@@H](C)CC)C1CC1 ZINC001490637978 983735271 /nfs/dbraw/zinc/73/52/71/983735271.db2.gz MDGVWZRMADASMH-AAEUAGOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C(C)(C)CC)C1CC1 ZINC001490701670 983738437 /nfs/dbraw/zinc/73/84/37/983738437.db2.gz SRBLPULQDCZRIQ-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)(O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001252365236 983747136 /nfs/dbraw/zinc/74/71/36/983747136.db2.gz MIPYIDYEUFVVKV-UHFFFAOYSA-N 1 0 232.327 2.154 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](CC)Cc1ccccc1 ZINC001252451038 983778740 /nfs/dbraw/zinc/77/87/40/983778740.db2.gz LAPNYINZQMYARX-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO Cc1cc(C#N)ccc1-c1cccc(C[NH3+])n1 ZINC001242469405 983794971 /nfs/dbraw/zinc/79/49/71/983794971.db2.gz CYSPTDMGHIFNEN-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC1(C)C ZINC001357892103 983801028 /nfs/dbraw/zinc/80/10/28/983801028.db2.gz PVNBXMXRGOQFQZ-NEPJUHHUSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@](C)(O)CNc1[nH+]c(C)ccc1CC ZINC001252539475 983805446 /nfs/dbraw/zinc/80/54/46/983805446.db2.gz VFDPAEQRDHWLIO-ZDUSSCGKSA-N 1 0 220.316 2.301 20 30 BEEDRO C#CCCN1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000859212038 983807128 /nfs/dbraw/zinc/80/71/28/983807128.db2.gz CBYJJCZOSDGOBS-UHFFFAOYSA-N 1 0 234.387 2.064 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001252547379 983811114 /nfs/dbraw/zinc/81/11/14/983811114.db2.gz HTIGEAQUOVCCEW-LLVKDONJSA-N 1 0 233.302 2.291 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC001252554018 983814593 /nfs/dbraw/zinc/81/45/93/983814593.db2.gz ACFWWPILJPTNMY-ZFWWWQNUSA-N 1 0 246.354 2.198 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1([NH2+]C)CCC1 ZINC001358015786 983815083 /nfs/dbraw/zinc/81/50/83/983815083.db2.gz FPFCCXMMHPZXKS-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC001252556192 983816206 /nfs/dbraw/zinc/81/62/06/983816206.db2.gz BLONTEJZELHOAX-AWEZNQCLSA-N 1 0 246.310 2.197 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccc2[nH]c(C)[nH+]c2c1 ZINC001252561525 983818834 /nfs/dbraw/zinc/81/88/34/983818834.db2.gz HIZRRUWZAFDETR-CYBMUJFWSA-N 1 0 231.299 2.220 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)C(=O)c1ccccc1 ZINC001252569672 983823998 /nfs/dbraw/zinc/82/39/98/983823998.db2.gz VDLPRBGAEJGGSK-HNNXBMFYSA-N 1 0 247.338 2.175 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001252572179 983828056 /nfs/dbraw/zinc/82/80/56/983828056.db2.gz NXLOPNZQUSZCOP-SMDDNHRTSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)COc1ccccc1C ZINC001252575770 983829390 /nfs/dbraw/zinc/82/93/90/983829390.db2.gz FUHUAMCDCFINBO-DZGCQCFKSA-N 1 0 249.354 2.289 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)COc1ccccc1C ZINC001252575782 983830150 /nfs/dbraw/zinc/83/01/50/983830150.db2.gz FUHUAMCDCFINBO-ZFWWWQNUSA-N 1 0 249.354 2.289 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001252575988 983830433 /nfs/dbraw/zinc/83/04/33/983830433.db2.gz GLGNQBQBOHWDRS-IYXRBSQSSA-N 1 0 234.343 2.130 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](CC)c1cccnc1 ZINC001252577306 983832328 /nfs/dbraw/zinc/83/23/28/983832328.db2.gz YGVSJPFVTSCFJJ-OLZOCXBDSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001252581782 983834370 /nfs/dbraw/zinc/83/43/70/983834370.db2.gz JPVHGEGHVUUJKK-HUUCEWRRSA-N 1 0 242.322 2.072 20 30 BEEDRO C=CCC[C@H](O)CNc1cc(C)cc[nH+]1 ZINC001252586860 983836839 /nfs/dbraw/zinc/83/68/39/983836839.db2.gz MSKWOIIWILASDJ-NSHDSACASA-N 1 0 206.289 2.129 20 30 BEEDRO C=CCC[C@H](O)CNc1cc(C)[nH+]c(OC)c1 ZINC001252591878 983841875 /nfs/dbraw/zinc/84/18/75/983841875.db2.gz FFQSZAFWTSLRFL-LBPRGKRZSA-N 1 0 236.315 2.138 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC001358253264 983842681 /nfs/dbraw/zinc/84/26/81/983842681.db2.gz ZFNFOSVMFWPUKB-YNEHKIRRSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H](F)C1 ZINC001252593976 983842975 /nfs/dbraw/zinc/84/29/75/983842975.db2.gz PZGVYZZIWVGQMD-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCOCc1ccccc1 ZINC001252613858 983846569 /nfs/dbraw/zinc/84/65/69/983846569.db2.gz CGXIQMZBANVUFI-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001252620167 983854880 /nfs/dbraw/zinc/85/48/80/983854880.db2.gz QULVXRIWMWXJCQ-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)c1ccc(F)cc1 ZINC001474543845 983908984 /nfs/dbraw/zinc/90/89/84/983908984.db2.gz GDCHQAGRUYLLRU-UQOMUDLDSA-N 1 0 245.297 2.125 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000826100217 983969908 /nfs/dbraw/zinc/96/99/08/983969908.db2.gz NFMFPGVADJDZPM-HZPDHXFCSA-N 1 0 241.334 2.325 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[NH2+]CC(C)C)C1 ZINC001480634418 984008860 /nfs/dbraw/zinc/00/88/60/984008860.db2.gz QBMFPZFMZSLZSO-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)CC ZINC001569105353 984020737 /nfs/dbraw/zinc/02/07/37/984020737.db2.gz ORFWGXCWTFMESO-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CN(C(=O)CCC)C[C@H]1C ZINC001570330308 984025544 /nfs/dbraw/zinc/02/55/44/984025544.db2.gz WLCNZAROQGKXBQ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)C(C)(CC)CC ZINC001492863483 984037578 /nfs/dbraw/zinc/03/75/78/984037578.db2.gz SNHKDSNLNAFADB-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO N#Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)nc1F ZINC001242673696 984042771 /nfs/dbraw/zinc/04/27/71/984042771.db2.gz FQQXXEOQPJZAIC-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO N#Cc1c(F)ccnc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242674585 984042792 /nfs/dbraw/zinc/04/27/92/984042792.db2.gz WRJRRJURNRRHCS-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO N#CCc1ccc(-c2ccc3c(c2)C[NH2+]C3)cn1 ZINC001242675138 984042975 /nfs/dbraw/zinc/04/29/75/984042975.db2.gz FBJDILFKWKIXLQ-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO C[C@@H]1CC(=O)C=C(c2ccc3c(n2)C[NH2+]CC3)C1 ZINC001242736700 984080430 /nfs/dbraw/zinc/08/04/30/984080430.db2.gz FCGVPQIDXZQGSG-JTQLQIEISA-N 1 0 242.322 2.110 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC001574899601 984123178 /nfs/dbraw/zinc/12/31/78/984123178.db2.gz CJRJXCPINMPCJR-FRRDWIJNSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2CC=CC2)CC1 ZINC000717444655 984196895 /nfs/dbraw/zinc/19/68/95/984196895.db2.gz YJJXLXRXXIDMJW-UHFFFAOYSA-N 1 0 221.344 2.356 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000717521701 984209884 /nfs/dbraw/zinc/20/98/84/984209884.db2.gz OGNLWJBQXYGUMC-FRRDWIJNSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)CCc1ccccc1 ZINC001253565506 984222480 /nfs/dbraw/zinc/22/24/80/984222480.db2.gz OUSCGOBDNBDTLR-OCCSQVGLSA-N 1 0 219.328 2.144 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC001253565749 984223373 /nfs/dbraw/zinc/22/33/73/984223373.db2.gz SAWWZDXZODBGIH-NSHDSACASA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc2ccccc21 ZINC001253565811 984224335 /nfs/dbraw/zinc/22/43/35/984224335.db2.gz SFBAULJNHXUSGJ-AWEZNQCLSA-N 1 0 227.307 2.476 20 30 BEEDRO C=CCN1CC2(CCC1=O)CC[NH+](C1CC1)CC2 ZINC001274008145 984227200 /nfs/dbraw/zinc/22/72/00/984227200.db2.gz CPSMVZMGEVJVSI-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1ccccc1 ZINC001253566860 984232310 /nfs/dbraw/zinc/23/23/10/984232310.db2.gz HIJRVUCWFUVXHY-CYBMUJFWSA-N 1 0 205.301 2.055 20 30 BEEDRO C=C[C@H](O)C[N@H+](Cc1ccccc1)C(C)C ZINC001253566725 984233474 /nfs/dbraw/zinc/23/34/74/984233474.db2.gz FRHYWDKZCCEBLP-AWEZNQCLSA-N 1 0 219.328 2.444 20 30 BEEDRO C=CCN1CC[C@@]2(CCC[N@@H+]2C2CCCC2)C1=O ZINC001274022879 984238354 /nfs/dbraw/zinc/23/83/54/984238354.db2.gz PIGNCAJSYSHWOS-HNNXBMFYSA-N 1 0 248.370 2.182 20 30 BEEDRO C=C(C)CCC(=O)NC/C=C/C[NH2+]C(C)C ZINC001274069460 984253526 /nfs/dbraw/zinc/25/35/26/984253526.db2.gz RVMROTYQYFMDLR-AATRIKPKSA-N 1 0 224.348 2.013 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@H](C)C(C)(C)C ZINC000717793516 984293106 /nfs/dbraw/zinc/29/31/06/984293106.db2.gz HPGQFBYKOPWMTG-RYUDHWBXSA-N 1 0 211.349 2.033 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](CC)CCCC ZINC000717793818 984294110 /nfs/dbraw/zinc/29/41/10/984294110.db2.gz HYASUNJGBYVPHC-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691395651 984314591 /nfs/dbraw/zinc/31/45/91/984314591.db2.gz ORHDMQJNJSUURP-HZPDHXFCSA-N 1 0 241.334 2.195 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc2c(c1)CCC2 ZINC001320042710 984339271 /nfs/dbraw/zinc/33/92/71/984339271.db2.gz WOYAPSRJXRDABJ-CQSZACIVSA-N 1 0 245.366 2.450 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ncc(C)nc2C#N)cc1 ZINC001242991003 984353138 /nfs/dbraw/zinc/35/31/38/984353138.db2.gz UGBLLPXNPNLUSU-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cnc(C#N)c(C)n2)cc1 ZINC001242990533 984353453 /nfs/dbraw/zinc/35/34/53/984353453.db2.gz PIABHTORZOMHAI-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1ccc(-c2nccc(C#N)c2F)cc1 ZINC001242989993 984354615 /nfs/dbraw/zinc/35/46/15/984354615.db2.gz AKQCFYWJVLNTJI-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cncc(F)c2C#N)cc1 ZINC001242992288 984356327 /nfs/dbraw/zinc/35/63/27/984356327.db2.gz MAARELXNHLRAHT-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2nccc(C#N)c2F)c1 ZINC001242995730 984357704 /nfs/dbraw/zinc/35/77/04/984357704.db2.gz VMEZLYSHSXZLCG-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C=C(C)C)C1 ZINC001278356756 984364849 /nfs/dbraw/zinc/36/48/49/984364849.db2.gz MJUKHHDYXYYIKP-AWEZNQCLSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]CCC(C)C ZINC001274882942 984399327 /nfs/dbraw/zinc/39/93/27/984399327.db2.gz CLVQGMFNSGBTNJ-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H](C)CCCCCCC ZINC000718185319 984405013 /nfs/dbraw/zinc/40/50/13/984405013.db2.gz QAJQZJVLKWRMCL-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)C[NH2+]CC1CC1 ZINC001274938537 984411328 /nfs/dbraw/zinc/41/13/28/984411328.db2.gz OSUMQABIMCKASC-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)/C(C)=C\C ZINC001275113372 984489326 /nfs/dbraw/zinc/48/93/26/984489326.db2.gz UFVANWJFOJJXPD-MENMGGHXSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H](C)C1 ZINC001442251750 984494393 /nfs/dbraw/zinc/49/43/93/984494393.db2.gz AIMSIYRYTIATDS-DGCLKSJQSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]CC(=C)Cl ZINC001275167828 984506033 /nfs/dbraw/zinc/50/60/33/984506033.db2.gz IDSAEHJZGDBXIY-NSHDSACASA-N 1 0 244.766 2.190 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC ZINC001275168904 984510832 /nfs/dbraw/zinc/51/08/32/984510832.db2.gz WLBDIWAJDSBXIK-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(C)C ZINC001275366225 984545363 /nfs/dbraw/zinc/54/53/63/984545363.db2.gz MRLYPMMXEXHXHW-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[C@@H](C)CC ZINC001275374683 984546684 /nfs/dbraw/zinc/54/66/84/984546684.db2.gz GDSQSMSUKJVBKH-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[C@H](C)CC ZINC001275374682 984548951 /nfs/dbraw/zinc/54/89/51/984548951.db2.gz GDSQSMSUKJVBKH-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO CC(C)(C)c1ccc(C#N)c(C2=CC[NH2+]C2)n1 ZINC001243109242 984560573 /nfs/dbraw/zinc/56/05/73/984560573.db2.gz VIESUKGMXWVHMN-UHFFFAOYSA-N 1 0 227.311 2.237 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C=C ZINC001275459994 984568701 /nfs/dbraw/zinc/56/87/01/984568701.db2.gz JEOHWCJLBPBIPH-VXGBXAGGSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC=C ZINC001275480521 984571312 /nfs/dbraw/zinc/57/13/12/984571312.db2.gz IJOAULGJTUVDSR-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO CC(C)(C#N)c1ccc(C2=CC[NH2+]C2)cc1 ZINC001243110582 984573470 /nfs/dbraw/zinc/57/34/70/984573470.db2.gz IZLHXLJNQGSTTJ-UHFFFAOYSA-N 1 0 212.296 2.474 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)CCC ZINC001275520116 984594469 /nfs/dbraw/zinc/59/44/69/984594469.db2.gz DYIASMGWFDKJQH-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001275550502 984608470 /nfs/dbraw/zinc/60/84/70/984608470.db2.gz DLLXGRDMGGJAOD-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(C)C ZINC001275772559 984646448 /nfs/dbraw/zinc/64/64/48/984646448.db2.gz ICEYJPIZHZSTDN-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)C(C)C ZINC001275947708 984739849 /nfs/dbraw/zinc/73/98/49/984739849.db2.gz XZXAEUBUNKRUJJ-QWHCGFSZSA-N 1 0 240.391 2.291 20 30 BEEDRO C#CCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001275975998 984759241 /nfs/dbraw/zinc/75/92/41/984759241.db2.gz VNYPLNOWNCRJSX-IYBDPMFKSA-N 1 0 246.398 2.491 20 30 BEEDRO C=CCC[NH2+][C@@H](CCN(C)C(C)=O)C(C)C ZINC001276107548 984815207 /nfs/dbraw/zinc/81/52/07/984815207.db2.gz HINLNOVHCFUJGJ-ZDUSSCGKSA-N 1 0 226.364 2.045 20 30 BEEDRO N#CC1CCC([NH2+]Cc2nc(C3CC3)no2)CC1 ZINC001256957736 984845801 /nfs/dbraw/zinc/84/58/01/984845801.db2.gz CEYVCARYIGQPCK-UHFFFAOYSA-N 1 0 246.314 2.119 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@H]3OCC[C@@H]3C2)CC1 ZINC001256973836 984846934 /nfs/dbraw/zinc/84/69/34/984846934.db2.gz ZKYIGZIUBMYMAF-HHTDUIENSA-N 1 0 234.343 2.180 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256972598 984847103 /nfs/dbraw/zinc/84/71/03/984847103.db2.gz DPRODUKSKHRMRX-WXRRBKDZSA-N 1 0 236.359 2.304 20 30 BEEDRO C[N@H+](C1CCC(C#N)CC1)[C@H]1CCCOC1 ZINC001256971766 984847119 /nfs/dbraw/zinc/84/71/19/984847119.db2.gz ZXRBRPLQUOXJCI-BPCQOVAHSA-N 1 0 222.332 2.180 20 30 BEEDRO CCCC[C@@H](CC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257417197 984977970 /nfs/dbraw/zinc/97/79/70/984977970.db2.gz ANBHVPFWCPBQLS-TUAOUCFPSA-N 1 0 244.379 2.465 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CCO[C@H](C)C#N)s1 ZINC000685989332 985023774 /nfs/dbraw/zinc/02/37/74/985023774.db2.gz YZWOHEREJKQCSQ-SNVBAGLBSA-N 1 0 238.356 2.417 20 30 BEEDRO CCCCC[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001257509454 985137980 /nfs/dbraw/zinc/13/79/80/985137980.db2.gz RVWKDABOHCWXMK-NEPJUHHUSA-N 1 0 244.379 2.465 20 30 BEEDRO CC=C(NC=[NH2+])c1ccccc1OCC#N ZINC001243585174 985143198 /nfs/dbraw/zinc/14/31/98/985143198.db2.gz ICXUIZBGZDDYIB-FUQNDXKWSA-N 1 0 215.256 2.146 20 30 BEEDRO C=CCC1([NH2+]CCC2OCCO2)CCCC1 ZINC000686606157 985154053 /nfs/dbraw/zinc/15/40/53/985154053.db2.gz GDOZJPSDRYLVPN-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000686675128 985197429 /nfs/dbraw/zinc/19/74/29/985197429.db2.gz FVFKXSUJZUVPSD-AWEZNQCLSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CCCCCC[N@@H+](C[C@@H](C)O)C1CC1 ZINC000686673769 985199223 /nfs/dbraw/zinc/19/92/23/985199223.db2.gz GYTRVJISCTXKDO-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000686681973 985201968 /nfs/dbraw/zinc/20/19/68/985201968.db2.gz HFTFUHJYPYOGLF-ZIAGYGMSSA-N 1 0 223.360 2.130 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000686683790 985202137 /nfs/dbraw/zinc/20/21/37/985202137.db2.gz ORLJXAGGIPIPQG-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCCC(=O)N[C@@]1(C)CC[N@H+](CCC=C)C1 ZINC001278369450 985224342 /nfs/dbraw/zinc/22/43/42/985224342.db2.gz UCAHLWBKILTFBM-AWEZNQCLSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CCO)CCCCC1 ZINC000687321347 985288347 /nfs/dbraw/zinc/28/83/47/985288347.db2.gz KXHLVMUETHKAKO-UHFFFAOYSA-N 1 0 217.740 2.414 20 30 BEEDRO C=CCCC(=O)Nc1cc(F)cc(C[NH3+])c1 ZINC000687623087 985345504 /nfs/dbraw/zinc/34/55/04/985345504.db2.gz WNMRRBBNOYXELK-UHFFFAOYSA-N 1 0 222.263 2.189 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)[C@H](C)O ZINC001459401475 985487851 /nfs/dbraw/zinc/48/78/51/985487851.db2.gz UPJOWHBFKVNMCZ-OLZOCXBDSA-N 1 0 244.338 2.316 20 30 BEEDRO CC(C)[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001459399312 985495164 /nfs/dbraw/zinc/49/51/64/985495164.db2.gz ZELVQOKHQHPTTE-HNNXBMFYSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(C#N)cc1 ZINC000688045912 985528766 /nfs/dbraw/zinc/52/87/66/985528766.db2.gz SMJIGSVSFYRLEE-UHIISALHSA-N 1 0 230.311 2.244 20 30 BEEDRO N#CCc1cnc(F)c(/C=C/C2CC[NH2+]CC2)c1 ZINC001243895753 985578422 /nfs/dbraw/zinc/57/84/22/985578422.db2.gz FRQZYIDDQZBHAE-OWOJBTEDSA-N 1 0 245.301 2.300 20 30 BEEDRO N#Cc1ccc(/C=C/C2CC[NH2+]CC2)c(C#N)c1 ZINC001243896270 985578578 /nfs/dbraw/zinc/57/85/78/985578578.db2.gz LQKQOHILKXQABV-HNQUOIGGSA-N 1 0 237.306 2.443 20 30 BEEDRO N#CC1(C[NH2+][C@H]2COC3(CCC3)C2)CCCC1 ZINC000688299634 985605223 /nfs/dbraw/zinc/60/52/23/985605223.db2.gz DTYCNGXMWCMSSV-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CO1 ZINC000688459196 985642834 /nfs/dbraw/zinc/64/28/34/985642834.db2.gz WXPGVXMNBQKFOX-CHWSQXEVSA-N 1 0 248.301 2.354 20 30 BEEDRO N#CCOc1ccccc1C1=C[NH2+]CCC1 ZINC001243950457 985647056 /nfs/dbraw/zinc/64/70/56/985647056.db2.gz UDLHBEHZBXDRRL-UHFFFAOYSA-N 1 0 214.268 2.313 20 30 BEEDRO N#Cc1ncnc2ccc(C3=C[NH2+]CCC3)cc12 ZINC001243951615 985658082 /nfs/dbraw/zinc/65/80/82/985658082.db2.gz YQNYXSOUXMEQNP-UHFFFAOYSA-N 1 0 236.278 2.226 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[Si](C)(C)c1ccccc1 ZINC001460029238 985702731 /nfs/dbraw/zinc/70/27/31/985702731.db2.gz KPMJZLSVQYWXSA-CYBMUJFWSA-N 1 0 231.415 2.095 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CC1(CC#N)CC1 ZINC001460030171 985704260 /nfs/dbraw/zinc/70/42/60/985704260.db2.gz DZLNFSDEUNASPZ-UHFFFAOYSA-N 1 0 235.375 2.120 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C(=O)OC)cc1)C(C)C ZINC000688824683 985733870 /nfs/dbraw/zinc/73/38/70/985733870.db2.gz LQVYBMWITAFFKA-UHFFFAOYSA-N 1 0 245.322 2.317 20 30 BEEDRO N#Cc1ccc(-c2ccc(C[NH3+])cc2)c(N)c1 ZINC001244084798 985799884 /nfs/dbraw/zinc/79/98/84/985799884.db2.gz RJINHTNBMWGEDM-UHFFFAOYSA-N 1 0 223.279 2.266 20 30 BEEDRO N#Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)c(N)c1 ZINC001244085553 985799911 /nfs/dbraw/zinc/79/99/11/985799911.db2.gz YJTDEXYJXPNZGM-UHFFFAOYSA-N 1 0 249.317 2.453 20 30 BEEDRO N#Cc1ccc(-c2cccc(C[NH3+])c2F)c(N)c1 ZINC001244089616 985804305 /nfs/dbraw/zinc/80/43/05/985804305.db2.gz ZCYKRWSJWKKXIJ-UHFFFAOYSA-N 1 0 241.269 2.405 20 30 BEEDRO N#Cc1ccc(-c2cccc3c2C[NH2+]C3)c(N)c1 ZINC001244090550 985805506 /nfs/dbraw/zinc/80/55/06/985805506.db2.gz ZZPIVABNFIAXKQ-UHFFFAOYSA-N 1 0 235.290 2.411 20 30 BEEDRO N#Cc1ccnc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC001460222549 985808249 /nfs/dbraw/zinc/80/82/49/985808249.db2.gz GAMMLVOHQKFTSA-XBFCOCLRSA-N 1 0 227.311 2.231 20 30 BEEDRO N#Cc1cc(-c2cccc3c2C[NH2+]CC3)ccc1N ZINC001244115280 985825016 /nfs/dbraw/zinc/82/50/16/985825016.db2.gz WRDAKGAYVZUMFG-UHFFFAOYSA-N 1 0 249.317 2.453 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC001460733289 985887363 /nfs/dbraw/zinc/88/73/63/985887363.db2.gz JNPCEISAOYBKEH-OCCSQVGLSA-N 1 0 237.343 2.370 20 30 BEEDRO N#Cc1ccc(-c2cnc(C[NH3+])nc2)c(Cl)c1 ZINC001244330798 985960479 /nfs/dbraw/zinc/96/04/79/985960479.db2.gz YMFOKNFYFUYDIY-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@]2(CCOC2=O)C1 ZINC001460978083 985979626 /nfs/dbraw/zinc/97/96/26/985979626.db2.gz UZLVBTUGGSBALX-AWEZNQCLSA-N 1 0 237.343 2.372 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccc(N)cc1C ZINC001244367263 985999799 /nfs/dbraw/zinc/99/97/99/985999799.db2.gz KUSSYLBPYIIBGW-WYMLVPIESA-N 1 0 204.273 2.156 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1 ZINC001461172784 986012364 /nfs/dbraw/zinc/01/23/64/986012364.db2.gz YIQHLYRCUVPWOZ-CYBMUJFWSA-N 1 0 248.370 2.291 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc2c(C)cccn12 ZINC001258716542 986039767 /nfs/dbraw/zinc/03/97/67/986039767.db2.gz ALVDQUYSFKZCFW-GFCCVEGCSA-N 1 0 244.342 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC001258719981 986048547 /nfs/dbraw/zinc/04/85/47/986048547.db2.gz NZVVWXQZMLFSPF-SMDDNHRTSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCC[C@H](F)C1 ZINC001258720678 986051110 /nfs/dbraw/zinc/05/11/10/986051110.db2.gz DDBBQVBBXKCMNT-OLZOCXBDSA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1(CO)CCSCC1 ZINC001258720922 986054634 /nfs/dbraw/zinc/05/46/34/986054634.db2.gz JIANXRPYUGTKLG-NSHDSACASA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001258723555 986057554 /nfs/dbraw/zinc/05/75/54/986057554.db2.gz XWHXJDDWSYXDNC-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C(C)C)C1 ZINC001258723554 986059997 /nfs/dbraw/zinc/05/99/97/986059997.db2.gz XWHXJDDWSYXDNC-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258725082 986062924 /nfs/dbraw/zinc/06/29/24/986062924.db2.gz HWZPLDOTXLUFGZ-SRVKXCTJSA-N 1 0 233.302 2.086 20 30 BEEDRO Cc1cc(CN[C@H](C[NH3+])C(C)(C)C)ccc1C#N ZINC001579601393 986093758 /nfs/dbraw/zinc/09/37/58/986093758.db2.gz PZVSHZJKIGQJQE-CQSZACIVSA-N 1 0 245.370 2.330 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC001258734726 986099995 /nfs/dbraw/zinc/09/99/95/986099995.db2.gz IFFIEEYNUKSGSS-OLZOCXBDSA-N 1 0 234.347 2.270 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1ccc2[nH]ccc2c1 ZINC001253573240 986102177 /nfs/dbraw/zinc/10/21/77/986102177.db2.gz SLYVLKZUEAXZHX-ZDUSSCGKSA-N 1 0 230.311 2.147 20 30 BEEDRO C=C[C@@H](O)CNc1cc[nH+]c(C2CCC2)c1 ZINC001253574107 986112635 /nfs/dbraw/zinc/11/26/35/986112635.db2.gz MLPIIGYBHHWCTP-GFCCVEGCSA-N 1 0 218.300 2.308 20 30 BEEDRO C=C[C@H](O)CNc1cc[nH+]c(C2CCC2)c1 ZINC001253574113 986112818 /nfs/dbraw/zinc/11/28/18/986112818.db2.gz MLPIIGYBHHWCTP-LBPRGKRZSA-N 1 0 218.300 2.308 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C=C\c1cccc(F)c1 ZINC001461728708 986127577 /nfs/dbraw/zinc/12/75/77/986127577.db2.gz IFDLNYOZOSVEJV-ZQMJAJRESA-N 1 0 247.313 2.203 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC001253578919 986135516 /nfs/dbraw/zinc/13/55/16/986135516.db2.gz JVSUMRPNHCEPNI-JSGCOSHPSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1OC ZINC001253578913 986135612 /nfs/dbraw/zinc/13/56/12/986135612.db2.gz JVSUMRPNHCEPNI-GXTWGEPZSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)C[N@H+](C)CCc1cccc(C)c1 ZINC001253578956 986135778 /nfs/dbraw/zinc/13/57/78/986135778.db2.gz KNXNWLLIZMFTKV-AWEZNQCLSA-N 1 0 219.328 2.016 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccccc1C1CC1 ZINC001253601462 986246943 /nfs/dbraw/zinc/24/69/43/986246943.db2.gz QBHDXTKGHRDTQG-ZDUSSCGKSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC001253601685 986247659 /nfs/dbraw/zinc/24/76/59/986247659.db2.gz UWRBYYKVNDOGGN-MRVPVSSYSA-N 1 0 247.125 2.025 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC001253602199 986253525 /nfs/dbraw/zinc/25/35/25/986253525.db2.gz DVCGQKCIAGMXBZ-JTQLQIEISA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001253602907 986256770 /nfs/dbraw/zinc/25/67/70/986256770.db2.gz NOCQTVCBYKHEIX-YNEHKIRRSA-N 1 0 237.730 2.332 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCCCCCCCCCO ZINC001253604699 986262466 /nfs/dbraw/zinc/26/24/66/986262466.db2.gz LLGLMADBJDMLLD-AWEZNQCLSA-N 1 0 243.391 2.236 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CC)c1cccc(F)c1 ZINC001253605289 986265356 /nfs/dbraw/zinc/26/53/56/986265356.db2.gz QOVFZCBGTRBIBR-STQMWFEESA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)Cc1c[nH]c2ccccc12 ZINC001253605303 986265689 /nfs/dbraw/zinc/26/56/89/986265689.db2.gz QXXGVJKHOREHGQ-YPMHNXCESA-N 1 0 244.338 2.235 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CC)c1ccccc1OC ZINC001253607937 986268622 /nfs/dbraw/zinc/26/86/22/986268622.db2.gz HDTRPTRFFOIISR-AAEUAGOBSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1OC ZINC001253607938 986271143 /nfs/dbraw/zinc/27/11/43/986271143.db2.gz HDTRPTRFFOIISR-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(C)ccc1Cl ZINC001253608624 986274171 /nfs/dbraw/zinc/27/41/71/986274171.db2.gz MSPNJTDMGKUWHN-NSHDSACASA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCC1CCC(F)(F)CC1 ZINC001253609439 986277268 /nfs/dbraw/zinc/27/72/68/986277268.db2.gz SHPGUNXHCVDUAQ-NSHDSACASA-N 1 0 233.302 2.339 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001253609871 986277780 /nfs/dbraw/zinc/27/77/80/986277780.db2.gz ZYWMWULYEDWDPR-UONOGXRCSA-N 1 0 235.302 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001253611490 986287415 /nfs/dbraw/zinc/28/74/15/986287415.db2.gz QDBNDYUMYFGYPL-QLFBSQMISA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2cccc(C)c2)CC1 ZINC001253611819 986290372 /nfs/dbraw/zinc/29/03/72/986290372.db2.gz UALWGUDPQPBYFU-CYBMUJFWSA-N 1 0 217.312 2.121 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)CC1 ZINC001462161860 986302405 /nfs/dbraw/zinc/30/24/05/986302405.db2.gz IYZZCGYUWHRJFZ-SRVKXCTJSA-N 1 0 204.317 2.458 20 30 BEEDRO COc1ccc(-c2cc(C[NH3+])ccn2)cc1C#N ZINC001244705504 986313589 /nfs/dbraw/zinc/31/35/89/986313589.db2.gz PFEZVJGGLQJWGH-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO COc1ccc(-c2cc(N)cc[nH+]2)cc1C#N ZINC001244705774 986314497 /nfs/dbraw/zinc/31/44/97/986314497.db2.gz XXSOCVBVKNHJIZ-UHFFFAOYSA-N 1 0 225.251 2.211 20 30 BEEDRO Cc1c(C#N)cccc1-c1ccc(C[NH3+])nc1 ZINC001244816022 986355415 /nfs/dbraw/zinc/35/54/15/986355415.db2.gz WCMQSEQYAAMTIV-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncccc2C#N)c1F ZINC001244854884 986401743 /nfs/dbraw/zinc/40/17/43/986401743.db2.gz AGLFJZVJLCXOFB-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccc(C#N)nc2)c1F ZINC001244859161 986403680 /nfs/dbraw/zinc/40/36/80/986403680.db2.gz OBCHUHMFPCKZHM-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO N#C[C@@H](c1ccccc1)N1C2CCC1(C[NH3+])CC2 ZINC001580036434 986443225 /nfs/dbraw/zinc/44/32/25/986443225.db2.gz VDNYRPPLKNJGRX-SLTAFYQDSA-N 1 0 241.338 2.207 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cc(C)ccc1NC ZINC001462628929 986469272 /nfs/dbraw/zinc/46/92/72/986469272.db2.gz IVYSUDZDGZTUMV-UHFFFAOYSA-N 1 0 216.328 2.492 20 30 BEEDRO N#CC12CCC([NH2+][C@H]3CCCOC3)(CC1)CC2 ZINC001254366984 986590179 /nfs/dbraw/zinc/59/01/79/986590179.db2.gz YWMKYCJAXJVMFQ-HSBZDZAISA-N 1 0 234.343 2.372 20 30 BEEDRO CCCN(CCC#N)[C@@H]1CCC[N@H+](C)CC1 ZINC001254523633 986668876 /nfs/dbraw/zinc/66/88/76/986668876.db2.gz QKOIWJRZSXCDIA-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001254637217 986684500 /nfs/dbraw/zinc/68/45/00/986684500.db2.gz PIOJDIVQMWGGKJ-OLZOCXBDSA-N 1 0 230.311 2.217 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001254657885 986706857 /nfs/dbraw/zinc/70/68/57/986706857.db2.gz SFYUAGZWVQRJHY-TZMCWYRMSA-N 1 0 241.338 2.439 20 30 BEEDRO COc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C[NH3+] ZINC001254656683 986706972 /nfs/dbraw/zinc/70/69/72/986706972.db2.gz LGTZUOZDOFBDJN-ZYHUDNBSSA-N 1 0 245.326 2.258 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001254671023 986718309 /nfs/dbraw/zinc/71/83/09/986718309.db2.gz NVXZZBDBGPMMGZ-BXUZGUMPSA-N 1 0 227.311 2.173 20 30 BEEDRO N#C[C@H]1CC[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001254668940 986722212 /nfs/dbraw/zinc/72/22/12/986722212.db2.gz LTNUHGLJWURBCE-SOUVJXGZSA-N 1 0 247.386 2.239 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001254674152 986722258 /nfs/dbraw/zinc/72/22/58/986722258.db2.gz UTKSADONFBJCRO-RBSFLKMASA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254923088 986742942 /nfs/dbraw/zinc/74/29/42/986742942.db2.gz AENFXYRJZYRGRA-NCXVQASTSA-N 1 0 246.354 2.416 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254923092 986743714 /nfs/dbraw/zinc/74/37/14/986743714.db2.gz AENFXYRJZYRGRA-ZDEQEGDKSA-N 1 0 246.354 2.416 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)cc(F)c1 ZINC001465877594 986749729 /nfs/dbraw/zinc/74/97/29/986749729.db2.gz IWQOYRRRENFBFA-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO SC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC001137349920 986814786 /nfs/dbraw/zinc/81/47/86/986814786.db2.gz UWASQDXWWURYGL-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1cn2ccccc2n1 ZINC001255154056 986827082 /nfs/dbraw/zinc/82/70/82/986827082.db2.gz AJSHYKFKFBRXLH-GFCCVEGCSA-N 1 0 242.326 2.159 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1CCC2(COC2)CC1 ZINC001255156945 986830300 /nfs/dbraw/zinc/83/03/00/986830300.db2.gz UVGWUPRPZZPFLH-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](CC#N)N(CC[NH3+])c1ccc(F)cc1 ZINC001255162027 986836105 /nfs/dbraw/zinc/83/61/05/986836105.db2.gz FKTUNQYBBQWXPP-GFCCVEGCSA-N 1 0 235.306 2.283 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001265928456 986861157 /nfs/dbraw/zinc/86/11/57/986861157.db2.gz CUKFGVXOTLLPQM-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000393738381 986861414 /nfs/dbraw/zinc/86/14/14/986861414.db2.gz ACWXPXJLISCSBQ-CMPLNLGQSA-N 1 0 239.746 2.408 20 30 BEEDRO CC[C@@H](CC#N)n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001255173736 986867490 /nfs/dbraw/zinc/86/74/90/986867490.db2.gz DELXQPVSHYPKMZ-RYUDHWBXSA-N 1 0 232.331 2.215 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ncccc23)C1 ZINC001137403386 986878974 /nfs/dbraw/zinc/87/89/74/986878974.db2.gz LJCIRXKEUFHCOT-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCSC1 ZINC001255290581 986891242 /nfs/dbraw/zinc/89/12/42/986891242.db2.gz HQQRSRZTWVCDFD-WISYIIOYSA-N 1 0 222.357 2.258 20 30 BEEDRO COc1cccc(-c2ccncc2C[NH3+])c1C#N ZINC001245557345 986943724 /nfs/dbraw/zinc/94/37/24/986943724.db2.gz FLAABBCZKRDYMG-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO N#Cc1c(F)cccc1-c1ccncc1C[NH3+] ZINC001245557696 986946489 /nfs/dbraw/zinc/94/64/89/986946489.db2.gz ICNFNNWKJRLZCT-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO Cc1ccc(C#N)c(-c2ccc(C[NH3+])nc2)c1 ZINC001245605104 986990560 /nfs/dbraw/zinc/99/05/60/986990560.db2.gz ZGFFSJOXUAAJBU-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO N#Cc1cccnc1-c1ccc2c[nH+]cn2c1 ZINC001245893499 987099450 /nfs/dbraw/zinc/09/94/50/987099450.db2.gz AYZWPHMDOGQWGR-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)C)C1 ZINC001491000570 987102655 /nfs/dbraw/zinc/10/26/55/987102655.db2.gz XNYXBMHZOAEDHS-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CCC[C@H](C#N)C1 ZINC001255964753 987102918 /nfs/dbraw/zinc/10/29/18/987102918.db2.gz SJPGZOBEHIMAAA-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO N#Cc1ccnc(-c2ccc3c[nH+]cn3c2)c1F ZINC001245896675 987120235 /nfs/dbraw/zinc/12/02/35/987120235.db2.gz UYASBQYJURUAQO-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO N#CCc1ccncc1-c1ccc2c[nH+]cn2c1 ZINC001245896866 987121919 /nfs/dbraw/zinc/12/19/19/987121919.db2.gz IENSJLFRIBVLRQ-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[NH2+]C[C@H](C)CC ZINC001491412468 987157380 /nfs/dbraw/zinc/15/73/80/987157380.db2.gz ZYFCQCCGIXFCAC-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2ccnc(C#N)n2)cc1 ZINC001245908789 987135844 /nfs/dbraw/zinc/13/58/44/987135844.db2.gz XNPHODNGCYQLLT-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001491387322 987139270 /nfs/dbraw/zinc/13/92/70/987139270.db2.gz DPWVGHAQQWTSPK-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)CCC(C)C ZINC001491390427 987147122 /nfs/dbraw/zinc/14/71/22/987147122.db2.gz YWCQMLNASMYYBL-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[NH2+]C[C@H](C)CC ZINC001491412465 987157469 /nfs/dbraw/zinc/15/74/69/987157469.db2.gz ZYFCQCCGIXFCAC-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001491435357 987163142 /nfs/dbraw/zinc/16/31/42/987163142.db2.gz MRUWWYWSCJHTIL-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](Nc2cc(C)c(C#N)cn2)C1 ZINC001472839718 987292909 /nfs/dbraw/zinc/29/29/09/987292909.db2.gz LIJQENMFBGPEAN-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)C ZINC000694003804 987317077 /nfs/dbraw/zinc/31/70/77/987317077.db2.gz SSXFRAKTLDWBOO-GFCCVEGCSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(COC)cs1 ZINC000695510429 987333617 /nfs/dbraw/zinc/33/36/17/987333617.db2.gz QROHHIGRIKNXSL-VIFPVBQESA-N 1 0 209.314 2.006 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(COC)cs1 ZINC000695514967 987334939 /nfs/dbraw/zinc/33/49/39/987334939.db2.gz KGGBPELYHBBKHK-UHFFFAOYSA-N 1 0 223.341 2.398 20 30 BEEDRO C[N@H+](CCC#N)C[C@@H]1CCCC12CCOCC2 ZINC001473206925 987371255 /nfs/dbraw/zinc/37/12/55/987371255.db2.gz MPGZSYKIKLHUHX-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO CCCCCCC[C@H](CC)N[C@H]1C[NH2+]C[C@H]1O ZINC001246098692 987412623 /nfs/dbraw/zinc/41/26/23/987412623.db2.gz CYNSVVYRHZHPII-MELADBBJSA-N 1 0 242.407 2.048 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001116086025 987439886 /nfs/dbraw/zinc/43/98/86/987439886.db2.gz ZKJDZADVJVCEAW-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)(N[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC001246178315 987551118 /nfs/dbraw/zinc/55/11/18/987551118.db2.gz MFQBGMVHTXFXFV-AWEZNQCLSA-N 1 0 243.354 2.135 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001473797043 987562478 /nfs/dbraw/zinc/56/24/78/987562478.db2.gz MWEQRTVZASPKEL-WDEREUQCSA-N 1 0 219.332 2.369 20 30 BEEDRO C#CC[N@@H+](CCC[NH+](CC)CC)C(C)(C)C ZINC001473809610 987565098 /nfs/dbraw/zinc/56/50/98/987565098.db2.gz WNCCVAZOKRRQJX-UHFFFAOYSA-N 1 0 224.392 2.452 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1O)CC1CC1 ZINC001116448534 987580653 /nfs/dbraw/zinc/58/06/53/987580653.db2.gz AMBXJYRQFBDYTQ-UHFFFAOYSA-N 1 0 215.296 2.237 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1Cc1nc(C)no1 ZINC001473857124 987587246 /nfs/dbraw/zinc/58/72/46/987587246.db2.gz DQZXZFZPTMFJKB-NSHDSACASA-N 1 0 221.304 2.309 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@@H](O)C(F)(F)F ZINC001473857599 987587592 /nfs/dbraw/zinc/58/75/92/987587592.db2.gz XWCXBLPWSFJAAO-NXEZZACHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1([C@@H]2CCCO2)CCC1 ZINC001473890008 987601002 /nfs/dbraw/zinc/60/10/02/987601002.db2.gz REWWJAASPSQETK-STQMWFEESA-N 1 0 239.359 2.005 20 30 BEEDRO C[C@@H]1CC[C@@H](N[C@@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232393 987630256 /nfs/dbraw/zinc/63/02/56/987630256.db2.gz WUHPCGUJLCGUKN-HONMWMINSA-N 1 0 247.317 2.120 20 30 BEEDRO C[C@@H]1C[C@@H](N[C@@H](C#N)c2ccc(F)cc2)CC[NH2+]1 ZINC001246233251 987632399 /nfs/dbraw/zinc/63/23/99/987632399.db2.gz ZQUFFDVIVHOZNW-SWHYSGLUSA-N 1 0 247.317 2.120 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cn(CCC)nc1C ZINC001474067198 987637578 /nfs/dbraw/zinc/63/75/78/987637578.db2.gz IDOLGGAIXOMICG-SNVBAGLBSA-N 1 0 207.321 2.266 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC001116621570 987648570 /nfs/dbraw/zinc/64/85/70/987648570.db2.gz XTTHODMIFSBHOB-FRRDWIJNSA-N 1 0 241.375 2.369 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CCC(C)(C)O1 ZINC001116650558 987654658 /nfs/dbraw/zinc/65/46/58/987654658.db2.gz ANVXBQIXTPAPRR-ZDUSSCGKSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)ccn1)CC1CC1 ZINC001116770469 987705497 /nfs/dbraw/zinc/70/54/97/987705497.db2.gz FQBZHGHOXPHKIJ-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001474495793 987741678 /nfs/dbraw/zinc/74/16/78/987741678.db2.gz CAOCDACHFCKBLI-IINYFYTJSA-N 1 0 230.311 2.170 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246334890 987743716 /nfs/dbraw/zinc/74/37/16/987743716.db2.gz FTTCCOGWIRDHJX-ZYHUDNBSSA-N 1 0 222.307 2.414 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccn1C(F)F ZINC001474523093 987743879 /nfs/dbraw/zinc/74/38/79/987743879.db2.gz VOUNKCZQQZSKIS-SNVBAGLBSA-N 1 0 244.285 2.300 20 30 BEEDRO C#C[C@H](C)[NH2+]CC1(OC)CCCCCC1 ZINC001474513938 987746045 /nfs/dbraw/zinc/74/60/45/987746045.db2.gz XOKXGZGSGOOEPM-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC001474529101 987749451 /nfs/dbraw/zinc/74/94/51/987749451.db2.gz GKIYCLKFNBZWPU-RYUDHWBXSA-N 1 0 240.322 2.035 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)[C@H]1COC(C)(C)O1)C(C)(C)C ZINC001474562339 987762336 /nfs/dbraw/zinc/76/23/36/987762336.db2.gz BEWHHCDHMCNOGT-IJLUTSLNSA-N 1 0 239.359 2.164 20 30 BEEDRO COc1ccc(N[C@@H]2CCC[N@H+](C)C2)cc1C#N ZINC001474674664 987797802 /nfs/dbraw/zinc/79/78/02/987797802.db2.gz HQDUXSDNKUJBKI-CYBMUJFWSA-N 1 0 245.326 2.073 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CCC[C@@]1(C)CC ZINC001474693741 987802945 /nfs/dbraw/zinc/80/29/45/987802945.db2.gz VIWRDBJRRVVVMH-MELADBBJSA-N 1 0 223.360 2.319 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCOCC1)[C@@H]1C[C@H]1C1CC1 ZINC001474747713 987815466 /nfs/dbraw/zinc/81/54/66/987815466.db2.gz IBZOTQUILCHVPW-XBFCOCLRSA-N 1 0 248.370 2.331 20 30 BEEDRO CC(C)C[C@@](C)(C#N)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246465330 987822393 /nfs/dbraw/zinc/82/23/93/987822393.db2.gz VXVCCDNWSJXYQC-AGIUHOORSA-N 1 0 223.364 2.045 20 30 BEEDRO CC(C)C[C@@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246464839 987822535 /nfs/dbraw/zinc/82/25/35/987822535.db2.gz UCJFJOVVAHFOFR-PIGZVRMJSA-N 1 0 235.375 2.187 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1=CCCC1 ZINC001496043246 987840339 /nfs/dbraw/zinc/84/03/39/987840339.db2.gz SHSQDDCRPRLUEI-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC=C ZINC001479241391 987896182 /nfs/dbraw/zinc/89/61/82/987896182.db2.gz QFWHLCAAINCCSH-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C=C2CCC2)C1 ZINC001479360351 987898216 /nfs/dbraw/zinc/89/82/16/987898216.db2.gz NQJPWWVMFHLICV-HDJSIYSDSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(C)=O ZINC001479549317 987901060 /nfs/dbraw/zinc/90/10/60/987901060.db2.gz MIYDYLAQCKPUSW-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[NH2+]CCCCCCN(C)C(=O)CC ZINC001479626669 987904357 /nfs/dbraw/zinc/90/43/57/987904357.db2.gz JMOPZLINCALMBN-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CCCCCC)C1 ZINC001480170183 987951850 /nfs/dbraw/zinc/95/18/50/987951850.db2.gz XEFYMAQPQJCXIL-JOCQHMNTSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2)C1 ZINC001480187087 987952849 /nfs/dbraw/zinc/95/28/49/987952849.db2.gz UGNOIAABLUMOLR-OKILXGFUSA-N 1 0 244.338 2.113 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC ZINC001480309598 987959295 /nfs/dbraw/zinc/95/92/95/987959295.db2.gz BZOYKCAZMXYXJK-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)C[NH2+]CCCC ZINC001321662645 987966574 /nfs/dbraw/zinc/96/65/74/987966574.db2.gz XVKFCNGPHDAQOX-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)CCC(C)(F)F ZINC001480488381 987985585 /nfs/dbraw/zinc/98/55/85/987985585.db2.gz JGCDCJGFUXNHTK-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(CC)CC ZINC001480594158 988009089 /nfs/dbraw/zinc/00/90/89/988009089.db2.gz FPRNIOIBANUQBR-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)CCC)C1 ZINC001480619557 988015096 /nfs/dbraw/zinc/01/50/96/988015096.db2.gz CYSOPIIEZIMRNZ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@H+](CCC[C@H]1CCOC1)CC1CC1 ZINC001118130340 988030823 /nfs/dbraw/zinc/03/08/23/988030823.db2.gz WFKZNFCANIDOLJ-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)/C(C)=C\C ZINC001480755744 988032153 /nfs/dbraw/zinc/03/21/53/988032153.db2.gz AMTIWSDPAUDGJA-YOOZJCNJSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C1(CC)CCC1 ZINC001480786412 988036790 /nfs/dbraw/zinc/03/67/90/988036790.db2.gz SSXFORQAGNGZQO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)[C@H](C)C(C)C ZINC001493028285 988052716 /nfs/dbraw/zinc/05/27/16/988052716.db2.gz BYMHYLGELZUFIJ-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C(C)C ZINC001493082887 988069576 /nfs/dbraw/zinc/06/95/76/988069576.db2.gz VEONKVGKCMWKJY-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH2+]CC(=C)C ZINC001322003565 988075308 /nfs/dbraw/zinc/07/53/08/988075308.db2.gz ZFTXHPCAZBWDJO-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO CC[C@@H](CC#N)N1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578758 988089153 /nfs/dbraw/zinc/08/91/53/988089153.db2.gz BXXCTNYMRACZOA-STQMWFEESA-N 1 0 223.364 2.130 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H](C)C(CC)CC ZINC001493605079 988099158 /nfs/dbraw/zinc/09/91/58/988099158.db2.gz JFMWNWSJMNEFCJ-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C/C(C)=C\CC(=O)N(C)CC[NH2+]CC(=C)C ZINC001493656741 988104356 /nfs/dbraw/zinc/10/43/56/988104356.db2.gz MTYVZRPVADSJDP-QPEQYQDCSA-N 1 0 236.359 2.133 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)c1cc(C)ccc1C ZINC001493771817 988114137 /nfs/dbraw/zinc/11/41/37/988114137.db2.gz PHCMLFSUDRDUAQ-UHFFFAOYSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CCC(C)C ZINC001322110136 988123764 /nfs/dbraw/zinc/12/37/64/988123764.db2.gz MLDLVTIJZGTIRP-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[NH+]1CC(NC(=O)C[C@H](C)CC)C1 ZINC001494376524 988132740 /nfs/dbraw/zinc/13/27/40/988132740.db2.gz ASYVZDZCMGDOTL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CC ZINC001322147168 988139252 /nfs/dbraw/zinc/13/92/52/988139252.db2.gz LWIJXZISUHMKBQ-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CCC(=O)NCC1C[NH+](CC(C)C)C1 ZINC001494555091 988161087 /nfs/dbraw/zinc/16/10/87/988161087.db2.gz IMTTVOKAASUDAN-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001118291831 988198809 /nfs/dbraw/zinc/19/88/09/988198809.db2.gz VIZVSHPUDWFZQL-MNOVXSKESA-N 1 0 243.314 2.072 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)/C=C(\C)CC ZINC001494979763 988204846 /nfs/dbraw/zinc/20/48/46/988204846.db2.gz VNIXJBRDSNJHBF-LMMOQWNQSA-N 1 0 224.348 2.013 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@@]23CCC[NH2+]C3)CC1 ZINC001246605405 988214230 /nfs/dbraw/zinc/21/42/30/988214230.db2.gz BSXIUZOBHPDFJJ-YMAMQOFZSA-N 1 0 247.386 2.287 20 30 BEEDRO C=C(Cl)C[NH2+]CC1(NC(=O)CC)CCCC1 ZINC001495114892 988215650 /nfs/dbraw/zinc/21/56/50/988215650.db2.gz IETQBVOOEQJNHQ-UHFFFAOYSA-N 1 0 244.766 2.168 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)CC1(C)CC1 ZINC001495709290 988247795 /nfs/dbraw/zinc/24/77/95/988247795.db2.gz MMXXFUOGHPLBPD-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)CC ZINC001495729673 988249610 /nfs/dbraw/zinc/24/96/10/988249610.db2.gz OGXNVVMDZOAJLL-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO CCCCCCC[NH2+]C[C@@H](C)N(C)C(C)=O ZINC001495984605 988270993 /nfs/dbraw/zinc/27/09/93/988270993.db2.gz OOEHZGKPYMXHNQ-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)CCC ZINC001496017902 988272273 /nfs/dbraw/zinc/27/22/73/988272273.db2.gz QHWKKMPBFDQOLI-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)CCC ZINC001496143497 988284760 /nfs/dbraw/zinc/28/47/60/988284760.db2.gz QCJMMWUFLLPKRW-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)CC ZINC001496145011 988286034 /nfs/dbraw/zinc/28/60/34/988286034.db2.gz YBSCIRDBDLCJEV-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C1(C)CCCC1 ZINC001496123938 988289091 /nfs/dbraw/zinc/28/90/91/988289091.db2.gz COOCCIWKZAMDDL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)[C@@H](C)C[NH2+]CCC)C1 ZINC001496154173 988290768 /nfs/dbraw/zinc/29/07/68/988290768.db2.gz YXDGNOVQEJEQLT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)CC ZINC001496145013 988291166 /nfs/dbraw/zinc/29/11/66/988291166.db2.gz YBSCIRDBDLCJEV-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1ccccc1NC(=[NH2+])NCCCC#N ZINC001118410904 988307952 /nfs/dbraw/zinc/30/79/52/988307952.db2.gz OFTIWHLNJMCECM-UHFFFAOYSA-N 1 0 216.288 2.235 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]C(C)C ZINC001496873380 988338708 /nfs/dbraw/zinc/33/87/08/988338708.db2.gz ITSLSQUTUVPEIE-OLZOCXBDSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]C(C)C ZINC001496873383 988339776 /nfs/dbraw/zinc/33/97/76/988339776.db2.gz ITSLSQUTUVPEIE-STQMWFEESA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CCC[NH2+]CCCC ZINC001322640951 988351466 /nfs/dbraw/zinc/35/14/66/988351466.db2.gz MWKUHTSVJSZUKE-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CC1CCCC1 ZINC001497131846 988358303 /nfs/dbraw/zinc/35/83/03/988358303.db2.gz JNHOJXHDERZQKO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)/C(C)=C/C ZINC001497168675 988362633 /nfs/dbraw/zinc/36/26/33/988362633.db2.gz WCRLGFOKOBQFIJ-NKLKJHRZSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)C1CC(C)C1 ZINC001497165147 988362766 /nfs/dbraw/zinc/36/27/66/988362766.db2.gz HHMPBCACAGEQPZ-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)/C(C)=C\CC ZINC001497537353 988388324 /nfs/dbraw/zinc/38/83/24/988388324.db2.gz MNUZCVKHZJZWJY-DGOUITMESA-N 1 0 236.359 2.181 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)CC(C)C ZINC001498005980 988439547 /nfs/dbraw/zinc/43/95/47/988439547.db2.gz HVCRBPPAHVFCSU-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C1C[C@@H]2CC(N3C[C@@H]4C[C@H]3C[NH2+]4)C[C@H](C1)C2 ZINC001246697158 988442666 /nfs/dbraw/zinc/44/26/66/988442666.db2.gz WCVFSUYBCNKENM-YSZZHOLASA-N 1 0 232.371 2.167 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C=C(CC)CC ZINC001498026183 988445577 /nfs/dbraw/zinc/44/55/77/988445577.db2.gz ISGYEMXOHVVIKQ-LBPRGKRZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001498032565 988448558 /nfs/dbraw/zinc/44/85/58/988448558.db2.gz JONXLVLBODBPKR-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001498092149 988455130 /nfs/dbraw/zinc/45/51/30/988455130.db2.gz AYPHOCMFONUBSX-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246769474 988455814 /nfs/dbraw/zinc/45/58/14/988455814.db2.gz KLIFTCJJAHIXKG-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)c1cccc(C)c1C ZINC001498177439 988460834 /nfs/dbraw/zinc/46/08/34/988460834.db2.gz BURPXGYOFZRAOO-LBPRGKRZSA-N 1 0 246.354 2.197 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC1CCC1 ZINC001498251389 988474705 /nfs/dbraw/zinc/47/47/05/988474705.db2.gz HNTQRWXROQCQSO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)CC1CCCC1 ZINC001498510432 988486286 /nfs/dbraw/zinc/48/62/86/988486286.db2.gz MLHSLMVFSRGPOI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H](CC#N)N[NH+]=C1CCN(C)c2ccccc21 ZINC001323517505 988546609 /nfs/dbraw/zinc/54/66/09/988546609.db2.gz HVWDSZJVEAVEAA-LLVKDONJSA-N 1 0 242.326 2.122 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)CCCC(C)C)CC1 ZINC001499358205 988547051 /nfs/dbraw/zinc/54/70/51/988547051.db2.gz IXLGWMICHNLMQO-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@H]1C[NH2+][C@H](C)C1 ZINC001246840839 988547306 /nfs/dbraw/zinc/54/73/06/988547306.db2.gz RKFWVXLVGLBRMB-UKRRQHHQSA-N 1 0 230.355 2.425 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001499338987 988548927 /nfs/dbraw/zinc/54/89/27/988548927.db2.gz FAHZOEVKURCXTL-ZDUSSCGKSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CC)C[C@@H]1C ZINC001499845545 988556657 /nfs/dbraw/zinc/55/66/57/988556657.db2.gz ZWXIOYHLNRQHDK-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C=C2CCC2)C1 ZINC001500335215 988583409 /nfs/dbraw/zinc/58/34/09/988583409.db2.gz OUZPJCZUWSQSGN-OAHLLOKOSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+]([C@@H](C)C#CCC)C1 ZINC001323729051 988596065 /nfs/dbraw/zinc/59/60/65/988596065.db2.gz NOIRHBGVJZZOHN-STQMWFEESA-N 1 0 207.317 2.065 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001323730110 988602823 /nfs/dbraw/zinc/60/28/23/988602823.db2.gz RXLWRAMXMKPBIK-GFCCVEGCSA-N 1 0 236.315 2.068 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001323785991 988611393 /nfs/dbraw/zinc/61/13/93/988611393.db2.gz QDILLIBGZPQMTF-LLVKDONJSA-N 1 0 238.356 2.228 20 30 BEEDRO C=CCC[NH2+][C@H]1CN(C(=O)CCCC)C[C@@H]1C ZINC001502700823 988646290 /nfs/dbraw/zinc/64/62/90/988646290.db2.gz FYDRRZJKQXQAOA-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)CCC(=C)C ZINC001503223345 988661291 /nfs/dbraw/zinc/66/12/91/988661291.db2.gz YAQYOWUMKQZYJT-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(CC#N)n1 ZINC001323999971 988665471 /nfs/dbraw/zinc/66/54/71/988665471.db2.gz DVNFPUABJWKDEX-GFCCVEGCSA-N 1 0 246.358 2.288 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)CCC(C)C)C1 ZINC001505480606 988680872 /nfs/dbraw/zinc/68/08/72/988680872.db2.gz GJOXYWANGSFSAJ-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CC1CC(NC(=O)CC(C)C)C1 ZINC001505478949 988682756 /nfs/dbraw/zinc/68/27/56/988682756.db2.gz HOPGESDDMUPVOD-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC001505425358 988684367 /nfs/dbraw/zinc/68/43/67/988684367.db2.gz BJNFEBLHZMNEPR-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[NH2+]CC1CC(NC(=O)C2=CCCC2)C1 ZINC001505490316 988685362 /nfs/dbraw/zinc/68/53/62/988685362.db2.gz GPOUTFIVFHYGBN-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCO1 ZINC001118908952 988691114 /nfs/dbraw/zinc/69/11/14/988691114.db2.gz NNOSIXJJNDYTQF-PSWFKFNGSA-N 1 0 233.355 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(C)C ZINC001505559678 988696284 /nfs/dbraw/zinc/69/62/84/988696284.db2.gz REFQSLYGLZCHGI-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C\C ZINC001505586012 988700368 /nfs/dbraw/zinc/70/03/68/988700368.db2.gz VMHBDMNJBDHWBI-GZDUMXDUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)CCC ZINC001505680899 988702661 /nfs/dbraw/zinc/70/26/61/988702661.db2.gz GTBNYXOTWUETNH-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC ZINC001505871682 988729904 /nfs/dbraw/zinc/72/99/04/988729904.db2.gz VDZSGULPWYHCID-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCN([C@@H]1CC[C@H](C)[NH2+]C1)C(C)(C)C ZINC001246919696 988730299 /nfs/dbraw/zinc/73/02/99/988730299.db2.gz JSVRCWZARQRSSV-NWDGAFQWSA-N 1 0 210.365 2.413 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC ZINC001505871683 988734164 /nfs/dbraw/zinc/73/41/64/988734164.db2.gz VDZSGULPWYHCID-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc2ncccc12 ZINC001119029366 988797066 /nfs/dbraw/zinc/79/70/66/988797066.db2.gz XXHZMAUAYKYFQD-ZDUSSCGKSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CCCC ZINC001507049052 988808845 /nfs/dbraw/zinc/80/88/45/988808845.db2.gz SEELXQOAMJJLRG-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C1CC1 ZINC001507059251 988812595 /nfs/dbraw/zinc/81/25/95/988812595.db2.gz DHNDWRQISLLENN-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H](C#N)CNCc1cccn1C1CC1 ZINC001324369402 988814506 /nfs/dbraw/zinc/81/45/06/988814506.db2.gz MMYUAKKFLHJABS-SNVBAGLBSA-N 1 0 203.289 2.072 20 30 BEEDRO C=CCC1(C(=O)N(C)C[C@@H](C)[NH2+]CC)CCC1 ZINC001507121459 988820685 /nfs/dbraw/zinc/82/06/85/988820685.db2.gz BPVIKGGMQJIJJX-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC001324383057 988821887 /nfs/dbraw/zinc/82/18/87/988821887.db2.gz TZYHVOOJRUFPNQ-UHFFFAOYSA-N 1 0 244.294 2.440 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC001324383825 988823808 /nfs/dbraw/zinc/82/38/08/988823808.db2.gz OXHRMEYPQZBSOV-GFCCVEGCSA-N 1 0 249.358 2.065 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCCC)[C@H]1C ZINC001507275614 988832402 /nfs/dbraw/zinc/83/24/02/988832402.db2.gz ZROOVTFJEHACDO-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CCCC)[C@H]1C ZINC001507275615 988833275 /nfs/dbraw/zinc/83/32/75/988833275.db2.gz ZROOVTFJEHACDO-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001324418050 988833224 /nfs/dbraw/zinc/83/32/24/988833224.db2.gz QTEOXKYGCYLLTN-PBWFPOADSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001507404186 988838732 /nfs/dbraw/zinc/83/87/32/988838732.db2.gz KEFIOZMWBWLCOD-KGLIPLIRSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cc(C)ns2)C1 ZINC001324448283 988844153 /nfs/dbraw/zinc/84/41/53/988844153.db2.gz ZJQXVSDCEKKHNZ-LLVKDONJSA-N 1 0 238.356 2.228 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2(C3CC3)CCOCC2)C1 ZINC001324474833 988850494 /nfs/dbraw/zinc/85/04/94/988850494.db2.gz ZPJFHAHYDOLWEU-AAEUAGOBSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)/C(C)=C\C)C1 ZINC001508101185 988850830 /nfs/dbraw/zinc/85/08/30/988850830.db2.gz OGDPTFASGXJITB-WDZFZDKYSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)C(C)(C)C ZINC001324501615 988856737 /nfs/dbraw/zinc/85/67/37/988856737.db2.gz AEJFCQGGLHGSOD-UHFFFAOYSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC ZINC001324521778 988865164 /nfs/dbraw/zinc/86/51/64/988865164.db2.gz PATJRJCVPXPQNT-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001119254106 988866475 /nfs/dbraw/zinc/86/64/75/988866475.db2.gz SZCOHOGLVSLJNU-QWHCGFSZSA-N 1 0 211.349 2.291 20 30 BEEDRO CCN(CC1(C#N)CC1)[C@H](CO)c1ccccc1 ZINC001119270790 988875269 /nfs/dbraw/zinc/87/52/69/988875269.db2.gz PNUKEFWBMBPUDI-CQSZACIVSA-N 1 0 244.338 2.346 20 30 BEEDRO C=CCCC[C@@H](NC(=O)C[NH2+]C)c1ccccc1 ZINC001119316117 988935136 /nfs/dbraw/zinc/93/51/36/988935136.db2.gz CEZSZRKWVQBCAX-CQSZACIVSA-N 1 0 246.354 2.420 20 30 BEEDRO C#CC[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001515221839 989006137 /nfs/dbraw/zinc/00/61/37/989006137.db2.gz IHRZJNLIRJOMMC-GFCCVEGCSA-N 1 0 200.285 2.321 20 30 BEEDRO C=C[C@@H](COC)[NH2+]CCCc1ccc(C)nc1 ZINC001324975123 989041007 /nfs/dbraw/zinc/04/10/07/989041007.db2.gz HNNJZQRHRPAKGI-AWEZNQCLSA-N 1 0 234.343 2.113 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@H]1CC[C@H](C#N)C1 ZINC001325179858 989098349 /nfs/dbraw/zinc/09/83/49/989098349.db2.gz CCYPELCBGZMIHP-STQMWFEESA-N 1 0 202.301 2.024 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC)C1CC[NH2+]CC1 ZINC001515690179 989102644 /nfs/dbraw/zinc/10/26/44/989102644.db2.gz IFEPTKQCPBRJSP-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)CC1 ZINC001119534821 989138245 /nfs/dbraw/zinc/13/82/45/989138245.db2.gz MJFPKACBFIRCOU-GDNZZTSVSA-N 1 0 204.317 2.458 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC001248748723 989140339 /nfs/dbraw/zinc/14/03/39/989140339.db2.gz ULZKNRGVEVAPIG-IAQYHMDHSA-N 1 0 244.338 2.076 20 30 BEEDRO CCc1cc(C#N)ccc1CN(C)CC(C)=O ZINC001248748670 989141518 /nfs/dbraw/zinc/14/15/18/989141518.db2.gz RTAFCKYFFGWIEY-UHFFFAOYSA-N 1 0 230.311 2.141 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CCOC[C@H]1C ZINC001248748844 989141637 /nfs/dbraw/zinc/14/16/37/989141637.db2.gz XXBOURDYXMPOIU-GFCCVEGCSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@](C)(O)C1 ZINC001248748674 989141728 /nfs/dbraw/zinc/14/17/28/989141728.db2.gz RWBQJXRNTFTMJV-HNNXBMFYSA-N 1 0 244.338 2.077 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC)C1 ZINC001325410662 989182044 /nfs/dbraw/zinc/18/20/44/989182044.db2.gz SQBUBRDQHQRRLM-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1(SC)CC1 ZINC001325630185 989219366 /nfs/dbraw/zinc/21/93/66/989219366.db2.gz WVQZETQQLKXJCF-UHFFFAOYSA-N 1 0 209.358 2.227 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2c1cccc2OC ZINC001325620497 989219843 /nfs/dbraw/zinc/21/98/43/989219843.db2.gz ZOCFLFHKSZZRPR-SMDDNHRTSA-N 1 0 247.338 2.473 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249082330 989248695 /nfs/dbraw/zinc/24/86/95/989248695.db2.gz OSYPNGNQFUVJEA-LLVKDONJSA-N 1 0 240.310 2.048 20 30 BEEDRO C[C@H]1CCC[N@@H+]1Cc1cnn2ccc(C#N)cc12 ZINC001249082019 989250036 /nfs/dbraw/zinc/25/00/36/989250036.db2.gz DOZLLMDVTGHFKK-NSHDSACASA-N 1 0 240.310 2.190 20 30 BEEDRO CC[NH2+]Cc1nc(-c2ccc(C#N)c(C)c2)no1 ZINC001249135600 989257461 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ZINC001121943117 990150413 /nfs/dbraw/zinc/15/04/13/990150413.db2.gz BUFHOKZMXKDIHZ-LLVKDONJSA-N 1 0 224.348 2.071 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001122305540 990331152 /nfs/dbraw/zinc/33/11/52/990331152.db2.gz RFIBUYDWAWNQAI-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[C@H]1CCC[NH2+]1 ZINC001122374668 990360769 /nfs/dbraw/zinc/36/07/69/990360769.db2.gz WLALPJDZINNYBK-OLZOCXBDSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@@H]2CC=CC[C@H]2C)CCC[NH2+]1 ZINC001122403679 990374626 /nfs/dbraw/zinc/37/46/26/990374626.db2.gz JFECIIDWIZICQL-NFAWXSAZSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C1CCCCC1 ZINC001122813529 990450390 /nfs/dbraw/zinc/45/03/90/990450390.db2.gz HFCQOWCYSDJMTM-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CC1CCCC1 ZINC001122866622 990455006 /nfs/dbraw/zinc/45/50/06/990455006.db2.gz YBTISTGXOCBOLH-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C ZINC001122937211 990465263 /nfs/dbraw/zinc/46/52/63/990465263.db2.gz DZFMFMMBSSWFAX-CHWSQXEVSA-N 1 0 240.391 2.319 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C2(CC)CCC2)CC1 ZINC001123251039 990533306 /nfs/dbraw/zinc/53/33/06/990533306.db2.gz VWXLGSLAAJUQCC-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC001540129962 990593775 /nfs/dbraw/zinc/59/37/75/990593775.db2.gz OOLVDMGKPOJTCM-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)c1ccccc1C ZINC001542080949 990656690 /nfs/dbraw/zinc/65/66/90/990656690.db2.gz XVYURKZRLHVWDO-UHFFFAOYSA-N 1 0 246.354 2.466 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(CC)CC ZINC001123842627 990682482 /nfs/dbraw/zinc/68/24/82/990682482.db2.gz TVRFWOJMXLIKMI-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C=C1CCCCC1 ZINC001124385794 990784657 /nfs/dbraw/zinc/78/46/57/990784657.db2.gz BXFRDJKQOHCDQJ-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H](C)CCC ZINC001124613399 990800006 /nfs/dbraw/zinc/80/00/06/990800006.db2.gz NDGQBZVEOIEZAD-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]CC/C=C/CC ZINC001124640945 990801122 /nfs/dbraw/zinc/80/11/22/990801122.db2.gz VMQQRMJTLJYMFZ-FNORWQNLSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)/C=C\C1CC1 ZINC001125243312 990818984 /nfs/dbraw/zinc/81/89/84/990818984.db2.gz SUWIOVGHZCZIGG-LAUAKBEESA-N 1 0 236.359 2.013 20 30 BEEDRO Fc1ccc(C[NH+]2CCC(S)CC2)cn1 ZINC001137741493 990847324 /nfs/dbraw/zinc/84/73/24/990847324.db2.gz DKYJRPRHBLXBAM-UHFFFAOYSA-N 1 0 226.320 2.115 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@H](C)CC[NH+](C)C ZINC001137810333 990852000 /nfs/dbraw/zinc/85/20/00/990852000.db2.gz JOLQDQQIFSPOTG-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001138282730 990906534 /nfs/dbraw/zinc/90/65/34/990906534.db2.gz DNNQYSAEJNDHJN-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN(CC=C)Cc1cc(O)cc(O)c1 ZINC001138330151 990922072 /nfs/dbraw/zinc/92/20/72/990922072.db2.gz WSRAAQXTPFARIK-UHFFFAOYSA-N 1 0 219.284 2.272 20 30 BEEDRO C#CCOc1ccc(C[N@H+](C)C2CC2)cc1OC ZINC001138342064 990922653 /nfs/dbraw/zinc/92/26/53/990922653.db2.gz XNOSOOIKQORPOD-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(-n2ccnc2C)cc1 ZINC001138547591 990971584 /nfs/dbraw/zinc/97/15/84/990971584.db2.gz QFQCFEXSDZVRGO-UHFFFAOYSA-N 1 0 239.322 2.246 20 30 BEEDRO Cn1nccc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001308365571 990977782 /nfs/dbraw/zinc/97/77/82/990977782.db2.gz GVTCSPGIAZXUIM-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO C=CCc1cccc(CN(C)CC[NH+](C)C)c1O ZINC001138624685 990985163 /nfs/dbraw/zinc/98/51/63/990985163.db2.gz SGHYEEOSBGOPFD-UHFFFAOYSA-N 1 0 248.370 2.114 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001558738026 990988864 /nfs/dbraw/zinc/98/88/64/990988864.db2.gz MRADTKCNXYGZGP-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc3nccn32)C1 ZINC001308443322 990997324 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C=CC[NH2+]C[C@@H](C)NC(=O)C(C)(CC)CC ZINC001569036407 992269896 /nfs/dbraw/zinc/26/98/96/992269896.db2.gz MARYMFBBTVWYPP-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CC1CCCC1 ZINC001569042735 992278835 /nfs/dbraw/zinc/27/88/35/992278835.db2.gz IZBIKVXUKURTNO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO COc1ccc(C[NH2+]C(C)(C)CF)cc1C#N ZINC001320628236 992280456 /nfs/dbraw/zinc/28/04/56/992280456.db2.gz MHTTYECPFYIRHN-UHFFFAOYSA-N 1 0 236.290 2.405 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C=C1CCC1 ZINC001569052072 992287443 /nfs/dbraw/zinc/28/74/43/992287443.db2.gz XCEIWILCLKTAKJ-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C1(C)CCCC1 ZINC001569072392 992294692 /nfs/dbraw/zinc/29/46/92/992294692.db2.gz ZUALGGXNKNMBPY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC001569078896 992297521 /nfs/dbraw/zinc/29/75/21/992297521.db2.gz GTBWJXTTYIHCBX-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@H](C)c1ccccc1 ZINC001569092263 992303155 /nfs/dbraw/zinc/30/31/55/992303155.db2.gz UWNJRZJBYIBLMY-QWHCGFSZSA-N 1 0 246.354 2.070 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)/C(C)=C/CC ZINC001569107242 992313892 /nfs/dbraw/zinc/31/38/92/992313892.db2.gz ODEHCDCBBCWKDA-YQCJOKCJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)C(C)C ZINC001320680723 992315810 /nfs/dbraw/zinc/31/58/10/992315810.db2.gz OGALBNHESNVDMV-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCC1CC1 ZINC001569109136 992318980 /nfs/dbraw/zinc/31/89/80/992318980.db2.gz QGGBMQDTPCSBMK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@](C)(C=C)CC ZINC001569136072 992322733 /nfs/dbraw/zinc/32/27/33/992322733.db2.gz LCPNGNOYJIKTEL-GXTWGEPZSA-N 1 0 238.375 2.211 20 30 BEEDRO CN1CCC(=[NH+]NC23CC(C2)C3)c2ccccc21 ZINC001261480555 992330039 /nfs/dbraw/zinc/33/00/39/992330039.db2.gz SOMSXUFYWHYYPB-UHFFFAOYSA-N 1 0 241.338 2.373 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)/C=C(\C)CC ZINC001569199738 992343549 /nfs/dbraw/zinc/34/35/49/992343549.db2.gz WANOQSOKDZIAML-OUKQBFOZSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)CCC[NH2+]C(C)C ZINC001569235969 992349117 /nfs/dbraw/zinc/34/91/17/992349117.db2.gz JRIBUVGYOQBLNO-CQSZACIVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001569376190 992371241 /nfs/dbraw/zinc/37/12/41/992371241.db2.gz GQACTSGWLFLVQI-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001569376187 992374512 /nfs/dbraw/zinc/37/45/12/992374512.db2.gz GQACTSGWLFLVQI-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C[C@@H]2C=CCCC2)CC1 ZINC001569405658 992382671 /nfs/dbraw/zinc/38/26/71/992382671.db2.gz WOGCTGWFSHPSHC-CYBMUJFWSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCC[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001569504179 992399945 /nfs/dbraw/zinc/39/99/45/992399945.db2.gz GYJVVRCVBMCRAB-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC)[C@@H](C)C1 ZINC001570430203 992469048 /nfs/dbraw/zinc/46/90/48/992469048.db2.gz AFEITUXTFAGDHI-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001321181724 992478094 /nfs/dbraw/zinc/47/80/94/992478094.db2.gz NSEYDRAVLBFWPE-YIYPIFLZSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCCc1ccccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC001573310955 992480233 /nfs/dbraw/zinc/48/02/33/992480233.db2.gz SBWGIVHGSNCITG-AWEZNQCLSA-N 1 0 244.338 2.496 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC ZINC001570603894 992489400 /nfs/dbraw/zinc/48/94/00/992489400.db2.gz GOSNGJKKPWEFGV-QWRGUYRKSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncccc1C ZINC001321300275 992513159 /nfs/dbraw/zinc/51/31/59/992513159.db2.gz RWVZSSJQZUHGQD-UKRRQHHQSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCC1(C)CC1 ZINC001570745532 992516469 /nfs/dbraw/zinc/51/64/69/992516469.db2.gz IURJNDMBTLKPGY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)C(C)C ZINC001570815535 992524446 /nfs/dbraw/zinc/52/44/46/992524446.db2.gz DYBPQDNCMUSJBU-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(C#N)cs1 ZINC001261830280 992527030 /nfs/dbraw/zinc/52/70/30/992527030.db2.gz QQCJZIZASQQKTK-LBPRGKRZSA-N 1 0 248.351 2.138 20 30 BEEDRO C=CCCC(=O)N1CCC([N@@H+](C)CCC)CC1 ZINC001571329224 992537079 /nfs/dbraw/zinc/53/70/79/992537079.db2.gz UNZNZQHKAXLJGJ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C(C)=O ZINC001571353506 992539147 /nfs/dbraw/zinc/53/91/47/992539147.db2.gz ARNQTNBIRAQXGD-BXUZGUMPSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H](CCNC(=O)/C(C)=C/C)C(C)C ZINC001571348622 992539227 /nfs/dbraw/zinc/53/92/27/992539227.db2.gz KFQVYECUTQCWNI-BWODNOAJSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(C)=O ZINC001571353507 992540184 /nfs/dbraw/zinc/54/01/84/992540184.db2.gz ARNQTNBIRAQXGD-FZMZJTMJSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)CC ZINC001571402712 992550167 /nfs/dbraw/zinc/55/01/67/992550167.db2.gz BOMLNNMPNLCDDF-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1C ZINC001571452176 992563277 /nfs/dbraw/zinc/56/32/77/992563277.db2.gz IMXAEJUGKVBLDT-GXTWGEPZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccoc2)C1 ZINC001571472120 992566646 /nfs/dbraw/zinc/56/66/46/992566646.db2.gz ZTEFTIGFUXUCHD-WCQYABFASA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)CCCF)C(C)(C)C ZINC001571630704 992575602 /nfs/dbraw/zinc/57/56/02/992575602.db2.gz LJOUPKMXYHUPQP-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C1CCC1)C(C)(C)C ZINC001571617243 992577950 /nfs/dbraw/zinc/57/79/50/992577950.db2.gz YZJBAKPLJOHVSM-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C#Cc1cccc(N(C)C(=O)[C@@H]([NH3+])CC(C)C)c1 ZINC001573306468 992593801 /nfs/dbraw/zinc/59/38/01/992593801.db2.gz LPXYTZLLJKOISF-AWEZNQCLSA-N 1 0 244.338 2.004 20 30 BEEDRO CC(=[NH+]N[C@@H]1CCCSC1)c1ccc(N)cc1 ZINC001262040647 992626376 /nfs/dbraw/zinc/62/63/76/992626376.db2.gz YJSPYDSNXHUOBW-CYBMUJFWSA-N 1 0 249.383 2.478 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC3CCC2CC3)CCC1 ZINC001262076958 992652855 /nfs/dbraw/zinc/65/28/55/992652855.db2.gz MYASCMKGXSFSKQ-RUXDESIVSA-N 1 0 248.370 2.306 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](CO)C(C)C ZINC001262253464 992820894 /nfs/dbraw/zinc/82/08/94/992820894.db2.gz QSYQSQJJXLWCJJ-OAHLLOKOSA-N 1 0 246.354 2.282 20 30 BEEDRO C#C[C@@H](NC1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC001574503738 992870948 /nfs/dbraw/zinc/87/09/48/992870948.db2.gz CEQPVZOCVILXOS-WXRRBKDZSA-N 1 0 234.730 2.094 20 30 BEEDRO C#CCC(C)(C)C(=O)N(C)CCCCCC[NH3+] ZINC001574505434 992871778 /nfs/dbraw/zinc/87/17/78/992871778.db2.gz VUBAAAUGLFBCIE-UHFFFAOYSA-N 1 0 238.375 2.013 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc(N)ccn1 ZINC001574544330 992875586 /nfs/dbraw/zinc/87/55/86/992875586.db2.gz BPBITZNPKCAJOL-UHFFFAOYSA-N 1 0 231.343 2.337 20 30 BEEDRO C#Cc1cccc(N(CC)CCC[NH2+]C)c1 ZINC001574766107 992898423 /nfs/dbraw/zinc/89/84/23/992898423.db2.gz NYNMJPQSXPXOLC-UHFFFAOYSA-N 1 0 216.328 2.104 20 30 BEEDRO C#Cc1cccc(N(C)CC[C@H]2CCC[NH2+]C2)c1 ZINC001574765179 992899253 /nfs/dbraw/zinc/89/92/53/992899253.db2.gz ANNOOELACVFVBG-OAHLLOKOSA-N 1 0 242.366 2.494 20 30 BEEDRO C#Cc1ccc(CNC[C@@H]2CCCCC[NH2+]2)cc1 ZINC001574757319 992899678 /nfs/dbraw/zinc/89/96/78/992899678.db2.gz LHXXIOVUGNIMJT-INIZCTEOSA-N 1 0 242.366 2.290 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]([NH3+])C1CCCCCC1 ZINC001574835242 992924825 /nfs/dbraw/zinc/92/48/25/992924825.db2.gz MZZOZOLRPYWCLV-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(C)CN1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC001574835592 992925120 /nfs/dbraw/zinc/92/51/20/992925120.db2.gz CCUWAIIMFDBOQR-NSHDSACASA-N 1 0 234.318 2.339 20 30 BEEDRO C=C(C)CN1C[C@@H](C[NH3+])Cc2cc(F)ccc21 ZINC001574835591 992925765 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/nfs/dbraw/zinc/00/47/53/993004753.db2.gz POZXVUHNZFSUMG-LLVKDONJSA-N 1 0 244.342 2.025 20 30 BEEDRO CC(C)(C)c1ccc(C#N)c(NC[C@@H]2CC[NH2+]2)n1 ZINC001575267924 993004795 /nfs/dbraw/zinc/00/47/95/993004795.db2.gz POZXVUHNZFSUMG-NSHDSACASA-N 1 0 244.342 2.025 20 30 BEEDRO C#Cc1ccc(NCCC[NH+]2CCCCC2)nc1 ZINC001262676935 993018821 /nfs/dbraw/zinc/01/88/21/993018821.db2.gz WJSAGNGWWGYHLH-UHFFFAOYSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)CC(C)C ZINC001263074697 993100357 /nfs/dbraw/zinc/10/03/57/993100357.db2.gz QHLCPJPYNRFROK-GFCCVEGCSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccnc1C ZINC001263094283 993110114 /nfs/dbraw/zinc/11/01/14/993110114.db2.gz BHLZVHIPQYOENK-LLVKDONJSA-N 1 0 233.315 2.012 20 30 BEEDRO C[C@H](C[C@H]1CCC[NH2+]1)NCc1ccc(C#N)s1 ZINC001575940921 993134219 /nfs/dbraw/zinc/13/42/19/993134219.db2.gz DVQQQLGVELGRNF-GHMZBOCLSA-N 1 0 249.383 2.240 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)cc(O)c1 ZINC001263168973 993145801 /nfs/dbraw/zinc/14/58/01/993145801.db2.gz BBGXYBYBTYNJEP-CYBMUJFWSA-N 1 0 248.326 2.323 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C1CS(=O)(=O)C1 ZINC000379984521 993300740 /nfs/dbraw/zinc/30/07/40/993300740.db2.gz JYYBEDFPHUEABL-LLVKDONJSA-N 1 0 247.404 2.122 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000380180534 993320065 /nfs/dbraw/zinc/32/00/65/993320065.db2.gz LVYSOIWQVHBXQM-WOPDTQHZSA-N 1 0 229.389 2.307 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+]CCCCC#N ZINC000381443000 993393920 /nfs/dbraw/zinc/39/39/20/993393920.db2.gz AOKJWGLSLLDJSS-GFCCVEGCSA-N 1 0 217.316 2.296 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000381573509 993407700 /nfs/dbraw/zinc/40/77/00/993407700.db2.gz YOMCVUAKPYCDJG-VXGBXAGGSA-N 1 0 216.284 2.174 20 30 BEEDRO C[C@@H]1CN([C@H](C#N)c2ccccc2)CC[C@@H]1C[NH3+] ZINC001576798699 993424548 /nfs/dbraw/zinc/42/45/48/993424548.db2.gz WEASHLVMFRROEG-BPLDGKMQSA-N 1 0 243.354 2.168 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)CC(C)(C)C=C)CC1 ZINC001263620737 993428058 /nfs/dbraw/zinc/42/80/58/993428058.db2.gz BECXRJTZOXEEFK-UHFFFAOYSA-N 1 0 249.354 2.230 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C[C@H](C)CC)CC1 ZINC001263620989 993428434 /nfs/dbraw/zinc/42/84/34/993428434.db2.gz KYYCHYFQWHPYAV-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@H]1C[C@H](NCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000382033252 993436478 /nfs/dbraw/zinc/43/64/78/993436478.db2.gz FJEQORJUTKQDOC-ZFWWWQNUSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(C#N)s1 ZINC001576880782 993441517 /nfs/dbraw/zinc/44/15/17/993441517.db2.gz IOSALUZTLBMKIY-DCAQKATOSA-N 1 0 249.383 2.190 20 30 BEEDRO CCC(CC)(C[NH3+])NCc1ccc(C#N)c(F)c1 ZINC001577058771 993491054 /nfs/dbraw/zinc/49/10/54/993491054.db2.gz GRRLBHQDWJJYPN-UHFFFAOYSA-N 1 0 249.333 2.304 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)CCCC)C1 ZINC001263825568 993537917 /nfs/dbraw/zinc/53/79/17/993537917.db2.gz AJMIQXXBNRYKMB-BETUJISGSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C)CC(=C)C2)C1 ZINC001263843847 993551655 /nfs/dbraw/zinc/55/16/55/993551655.db2.gz LRNVEKOCHYWCIT-BETUJISGSA-N 1 0 248.370 2.013 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(C)[nH+]c(C)c1 ZINC000384155353 993552302 /nfs/dbraw/zinc/55/23/02/993552302.db2.gz IFEMACVTWSYNCX-CYBMUJFWSA-N 1 0 202.301 2.334 20 30 BEEDRO C=C(CC)C(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC001263858186 993563347 /nfs/dbraw/zinc/56/33/47/993563347.db2.gz YYPOQDXLAJLXST-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001263870231 993564782 /nfs/dbraw/zinc/56/47/82/993564782.db2.gz QKRBLJFFURWIFX-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CN(CC)c1cc(N)c(C)c[nH+]1 ZINC000384595928 993583070 /nfs/dbraw/zinc/58/30/70/993583070.db2.gz SZKCXHBDQUTDQT-UHFFFAOYSA-N 1 0 205.305 2.375 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001264359875 993715412 /nfs/dbraw/zinc/71/54/12/993715412.db2.gz SXBVYWUZKUKCGW-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H](CC)CCC=C ZINC000389898646 993760465 /nfs/dbraw/zinc/76/04/65/993760465.db2.gz AKAJFXWWIGQWBU-CHWSQXEVSA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCCC[N@H+](C)CCCNC(=O)C1(C)CC1 ZINC001264989301 993809394 /nfs/dbraw/zinc/80/93/94/993809394.db2.gz NNIHLVIUCNYSFV-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC ZINC001265076925 993811641 /nfs/dbraw/zinc/81/16/41/993811641.db2.gz DJEDPUPCUVAOPB-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](CNC(=O)CCCC)C1 ZINC001265576357 993881745 /nfs/dbraw/zinc/88/17/45/993881745.db2.gz UENSHEWVEUFKBV-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1CNC(=O)CC ZINC001265637214 993888761 /nfs/dbraw/zinc/88/87/61/993888761.db2.gz UIOIHAXYFZDGCN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CCCCN1C(=O)CC ZINC001265660149 993892073 /nfs/dbraw/zinc/89/20/73/993892073.db2.gz PEGZEBKZIPLJOT-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000701709577 993904078 /nfs/dbraw/zinc/90/40/78/993904078.db2.gz TURGZVAWLIROSB-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000701855022 993926915 /nfs/dbraw/zinc/92/69/15/993926915.db2.gz YYUQDQGSRMTNIK-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[C@H](C)CC ZINC001265768919 993936937 /nfs/dbraw/zinc/93/69/37/993936937.db2.gz KTLPGAMXQOIKAZ-MWLCHTKSSA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](C)C(C)C ZINC001265933718 993978782 /nfs/dbraw/zinc/97/87/82/993978782.db2.gz QULMCFJUSCJYNP-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)CCc1ccco1 ZINC000393768374 994001956 /nfs/dbraw/zinc/00/19/56/994001956.db2.gz CUYXURLEYQMJNV-NWDGAFQWSA-N 1 0 223.316 2.391 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)CCc1ccco1 ZINC000393768379 994002252 /nfs/dbraw/zinc/00/22/52/994002252.db2.gz CUYXURLEYQMJNV-VXGBXAGGSA-N 1 0 223.316 2.391 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC ZINC001265992468 994009378 /nfs/dbraw/zinc/00/93/78/994009378.db2.gz LUOBEKYYFPFQCN-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[N@@H+](CC)CCC ZINC001266070700 994021250 /nfs/dbraw/zinc/02/12/50/994021250.db2.gz WCESSWSTNYXCHZ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000393941703 994022367 /nfs/dbraw/zinc/02/23/67/994022367.db2.gz JNKXYDACPDYGBR-UTUOFQBUSA-N 1 0 215.300 2.424 20 30 BEEDRO CCOC(C)(C)C[NH+]1CCC(CC#N)CC1 ZINC000702672671 994030939 /nfs/dbraw/zinc/03/09/39/994030939.db2.gz OJHNZMLPPAEJEP-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1CC(C)C1 ZINC001266138124 994047056 /nfs/dbraw/zinc/04/70/56/994047056.db2.gz XOTNVTDVANDNGS-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)CC1(C)CC1 ZINC001266160692 994049948 /nfs/dbraw/zinc/04/99/48/994049948.db2.gz IPDUKUWXUASKSB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C1CC(N(C)C(=O)C=C2CCC2)C1 ZINC001279217500 994064108 /nfs/dbraw/zinc/06/41/08/994064108.db2.gz ZLXGWJIXMKKDRQ-UHFFFAOYSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@H]2CC=CCC2)CCC1 ZINC001280465706 994116545 /nfs/dbraw/zinc/11/65/45/994116545.db2.gz OQRINLCCHRXXMW-ZDUSSCGKSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001281666256 994165855 /nfs/dbraw/zinc/16/58/55/994165855.db2.gz WSTFOAGMNGXRPK-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CCC ZINC001281846165 994180277 /nfs/dbraw/zinc/18/02/77/994180277.db2.gz OGOFXAHZKTZZHB-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CCF ZINC001282194575 994208536 /nfs/dbraw/zinc/20/85/36/994208536.db2.gz WJMRHKFLBZZYDN-WDEREUQCSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(C)CC ZINC001282132553 994210582 /nfs/dbraw/zinc/21/05/82/994210582.db2.gz GPUASFPIXDALER-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CCCCC ZINC001283572860 994280724 /nfs/dbraw/zinc/28/07/24/994280724.db2.gz OMUBMTIBIOLTRB-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC001282455575 994239775 /nfs/dbraw/zinc/23/97/75/994239775.db2.gz PMSVTBJOYCUMDG-OCCSQVGLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](CCCC)NC(C)=O ZINC001282635923 994245201 /nfs/dbraw/zinc/24/52/01/994245201.db2.gz AWTBZCZWCHLMMQ-CYBMUJFWSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)C1(C)CC1 ZINC001282642895 994245225 /nfs/dbraw/zinc/24/52/25/994245225.db2.gz IVLLMVMEZJACSD-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C1C[NH+](CCC)C1 ZINC001282732857 994251354 /nfs/dbraw/zinc/25/13/54/994251354.db2.gz BCIZWDQDTYFCGY-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)C ZINC001283268138 994268167 /nfs/dbraw/zinc/26/81/67/994268167.db2.gz IUBNESYKOKGEHA-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](CCNC(=O)C(C)C)C(C)C ZINC001283434380 994274376 /nfs/dbraw/zinc/27/43/76/994274376.db2.gz ZAIBKDRILATGCJ-CYBMUJFWSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)CC ZINC001283572260 994280923 /nfs/dbraw/zinc/28/09/23/994280923.db2.gz KWGWPLSGLVBXJG-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1=CCCC1 ZINC001283593820 994283787 /nfs/dbraw/zinc/28/37/87/994283787.db2.gz FMOVMXYDSORQBK-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C ZINC001283704533 994291358 /nfs/dbraw/zinc/29/13/58/994291358.db2.gz NGQVFBQLKUVWHY-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2=CCCC2)C1 ZINC001283969082 994318730 /nfs/dbraw/zinc/31/87/30/994318730.db2.gz NDWAQROJXRXFGW-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CCCC)[C@@H]1C ZINC001284117537 994321019 /nfs/dbraw/zinc/32/10/19/994321019.db2.gz GFVKMHAIFZYHHX-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C(=O)CC)C(C)C ZINC001284520811 994349919 /nfs/dbraw/zinc/34/99/19/994349919.db2.gz YTXXGCRQCREDBM-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCC[N@H+]1CC=C(CNC(=O)/C(C)=C\C)CC1 ZINC001284900756 994358615 /nfs/dbraw/zinc/35/86/15/994358615.db2.gz XYVMNNFKTGDUOJ-ACAGNQJTSA-N 1 0 248.370 2.277 20 30 BEEDRO C#C[C@H]([NH2+]CCc1cccc(F)c1)[C@H]1CCCO1 ZINC001332896865 994388847 /nfs/dbraw/zinc/38/88/47/994388847.db2.gz CYDZWMAIXPSQRX-LSDHHAIUSA-N 1 0 247.313 2.139 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](CCC)Cc1ccccc1 ZINC001334386330 994590003 /nfs/dbraw/zinc/59/00/03/994590003.db2.gz ZBOJCHNTTLEANM-CVEARBPZSA-N 1 0 245.366 2.372 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CC[N@H+]1CC ZINC001293771720 994667034 /nfs/dbraw/zinc/66/70/34/994667034.db2.gz XZDZXRITSSDFLY-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC001335266531 994705976 /nfs/dbraw/zinc/70/59/76/994705976.db2.gz XVMBYNFZZCTRQJ-JHJVBQTASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH2+]CCC ZINC001491579159 994984538 /nfs/dbraw/zinc/98/45/38/994984538.db2.gz KLFOEYIMBVDTAE-WCQYABFASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001491574225 994985134 /nfs/dbraw/zinc/98/51/34/994985134.db2.gz FPNSBQZGGRUPDT-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001491867617 995007034 /nfs/dbraw/zinc/00/70/34/995007034.db2.gz DROCMGKQACZLOT-OLZOCXBDSA-N 1 0 238.375 2.378 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@@H](C)CC ZINC001492012887 995015421 /nfs/dbraw/zinc/01/54/21/995015421.db2.gz FGPIOJFIHSZCRU-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@@H](C)CC ZINC001492012886 995017210 /nfs/dbraw/zinc/01/72/10/995017210.db2.gz FGPIOJFIHSZCRU-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)C1CC(C)C1 ZINC001492005560 995018308 /nfs/dbraw/zinc/01/83/08/995018308.db2.gz NPFSOGYEPAMHPG-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@H](C)C(C)C ZINC001492091946 995024438 /nfs/dbraw/zinc/02/44/38/995024438.db2.gz GWKHWVUJUYMKLY-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C[C@H](C)C1CC1 ZINC001492133989 995025931 /nfs/dbraw/zinc/02/59/31/995025931.db2.gz YCEDZHSPKDCUFC-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@H](C)C(CC)CC ZINC001492313012 995046973 /nfs/dbraw/zinc/04/69/73/995046973.db2.gz SEAQCIMECCMIJT-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)CC ZINC001492476220 995056748 /nfs/dbraw/zinc/05/67/48/995056748.db2.gz QSFMZOKWTLZJAI-OLZOCXBDSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001307421836 995349080 /nfs/dbraw/zinc/34/90/80/995349080.db2.gz CEIIGSRVZVUAON-GFCCVEGCSA-N 1 0 217.316 2.232 20 30 BEEDRO CC(C)(C)ON=C1C[C@H]2CCC[N@@H+](C1)C2 ZINC001339320302 995531226 /nfs/dbraw/zinc/53/12/26/995531226.db2.gz TVBSVKNUALCCGR-SNVBAGLBSA-N 1 0 210.321 2.273 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001308120801 995553363 /nfs/dbraw/zinc/55/33/63/995553363.db2.gz YABZSVAXINBILT-QKGCVVFFSA-N 1 0 246.354 2.059 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001308113360 995554552 /nfs/dbraw/zinc/55/45/52/995554552.db2.gz NRCLMSPCEHPPEL-GFCCVEGCSA-N 1 0 217.316 2.232 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC001308120803 995558336 /nfs/dbraw/zinc/55/83/36/995558336.db2.gz YABZSVAXINBILT-SBJFKYEJSA-N 1 0 246.354 2.059 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CC#CCOC ZINC001308136401 995566312 /nfs/dbraw/zinc/56/63/12/995566312.db2.gz MJQAEQNXWVRJPF-CYBMUJFWSA-N 1 0 207.317 2.067 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](c2cn(C)nn2)C1 ZINC001308150737 995569660 /nfs/dbraw/zinc/56/96/60/995569660.db2.gz JDHYBGZJRRAUPO-ZDUSSCGKSA-N 1 0 248.374 2.351 20 30 BEEDRO CCCn1cc(C[NH2+]CCCCC#N)c(C)n1 ZINC001308255717 995600988 /nfs/dbraw/zinc/60/09/88/995600988.db2.gz HSSRTSYBUPWQHK-UHFFFAOYSA-N 1 0 234.347 2.385 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@H+](C)CC1CC1 ZINC001567298103 1170092025 /nfs/dbraw/zinc/09/20/25/1170092025.db2.gz IZWPANUVLHYLPC-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1C[NH+](CCC)C1 ZINC001567840237 1170096240 /nfs/dbraw/zinc/09/62/40/1170096240.db2.gz LIUYAPLNDPQYFW-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001568240081 1170099327 /nfs/dbraw/zinc/09/93/27/1170099327.db2.gz UVKARVOJRBFESZ-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+]CCC[C@@H](C)NC(=O)C1CCC1 ZINC001571209118 1170109163 /nfs/dbraw/zinc/10/91/63/1170109163.db2.gz OTEICRORPWCAOZ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CN1CCC([N@H+](C)Cc2cccc(C#N)c2)CC1 ZINC000019436133 1170124230 /nfs/dbraw/zinc/12/42/30/1170124230.db2.gz IFVOHNKRSDRSIQ-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1ccc2nccnc2c1 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C=CC[C@H](C(=O)OC)[N@H+]1CC[C@@H](CC)[C@@H]1C ZINC001617360049 1170586927 /nfs/dbraw/zinc/58/69/27/1170586927.db2.gz LAMLLAYEKGHFCR-QJPTWQEYSA-N 1 0 225.332 2.225 20 30 BEEDRO CC[C@@H]1CC[N@H+](CCOCCC#N)[C@@H]1C ZINC001617360662 1170589872 /nfs/dbraw/zinc/58/98/72/1170589872.db2.gz OIMRGRJVNDAYSC-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC1(C)C[C@H](O)CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001617939521 1170608388 /nfs/dbraw/zinc/60/83/88/1170608388.db2.gz GDZLBFRBKUOERM-FRRDWIJNSA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@@H]1COCC[N@@H+]1C[C@H]1CC2CCC1CC2 ZINC001618447350 1170635783 /nfs/dbraw/zinc/63/57/83/1170635783.db2.gz XBXFCETVUGUCNP-NEXFUWMNSA-N 1 0 233.355 2.147 20 30 BEEDRO CC#CCC[NH2+]Cc1nc(Cl)cs1 ZINC001621216581 1170744353 /nfs/dbraw/zinc/74/43/53/1170744353.db2.gz PVTIPWFDFSBOMA-UHFFFAOYSA-N 1 0 214.721 2.300 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001621239774 1170749359 /nfs/dbraw/zinc/74/93/59/1170749359.db2.gz HPVLPFQVJHVLEB-WDEREUQCSA-N 1 0 245.388 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233.311 2.164 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCOCC1 ZINC001621561762 1170851849 /nfs/dbraw/zinc/85/18/49/1170851849.db2.gz CPANGMQTHIOEQW-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001626489181 1171127878 /nfs/dbraw/zinc/12/78/78/1171127878.db2.gz IIUDDKNIKKXAQU-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOC1CC[NH+]([C@@H](CC)CC#N)CC1 ZINC000040689419 1171149515 /nfs/dbraw/zinc/14/95/15/1171149515.db2.gz UILWNTJJMQLTSH-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1C(C)C ZINC001627959425 1171195502 /nfs/dbraw/zinc/19/55/02/1171195502.db2.gz KDBIYHSBNXSGNM-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1Cl ZINC001628537919 1171248963 /nfs/dbraw/zinc/24/89/63/1171248963.db2.gz PBQVLXKQCYHFJA-UHFFFAOYSA-N 1 0 238.718 2.396 20 30 BEEDRO CC[C@H](C#N)N[C@H](C)CCC[NH+](CC)CC ZINC000043539237 1171299615 /nfs/dbraw/zinc/29/96/15/1171299615.db2.gz ZPKMBKPWUYONNG-CHWSQXEVSA-N 1 0 225.380 2.389 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@H](C)CC1 ZINC001634291145 1171638162 /nfs/dbraw/zinc/63/81/62/1171638162.db2.gz FDVKCVDCNLFOHU-AAEUAGOBSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]CCCCC#N ZINC000049578474 1171707482 /nfs/dbraw/zinc/70/74/82/1171707482.db2.gz YPFAIPAIYGIISK-NSHDSACASA-N 1 0 206.289 2.494 20 30 BEEDRO CC[C@@H](CC#N)N1CC[NH+](C2CCCC2)CC1 ZINC000052061649 1171936380 /nfs/dbraw/zinc/93/63/80/1171936380.db2.gz GGLJMCKEQAOJAU-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CC[N@@H+](CCCCCn1cc(C)cn1)C1CC1 ZINC000274201602 166170124 /nfs/dbraw/zinc/17/01/24/166170124.db2.gz RRMGSFHORADPNI-UHFFFAOYSA-N 1 0 245.370 2.459 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000130141388 136211867 /nfs/dbraw/zinc/21/18/67/136211867.db2.gz IDZWHAYWIMJMLV-ZJUUUORDSA-N 1 0 207.321 2.408 20 30 BEEDRO C#CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272497462 398147230 /nfs/dbraw/zinc/14/72/30/398147230.db2.gz CZNKKQNYWQVSOM-CYBMUJFWSA-N 1 0 215.296 2.021 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000272579724 398147259 /nfs/dbraw/zinc/14/72/59/398147259.db2.gz ROPCVEZXSNWIOQ-AWEZNQCLSA-N 1 0 219.328 2.098 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000272525765 398147421 /nfs/dbraw/zinc/14/74/21/398147421.db2.gz HXTRWKYJHUXMTH-CQSZACIVSA-N 1 0 229.323 2.411 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626175876 346813523 /nfs/dbraw/zinc/81/35/23/346813523.db2.gz AIUGQJCMNQUCFM-UONOGXRCSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@](C)(COC)C1 ZINC000626175874 346813568 /nfs/dbraw/zinc/81/35/68/346813568.db2.gz AIUGQJCMNQUCFM-KBPBESRZSA-N 1 0 241.375 2.469 20 30 BEEDRO C[C@H](O)[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000161860435 349507176 /nfs/dbraw/zinc/50/71/76/349507176.db2.gz ZLEVEHUBFSBEKX-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cc(F)ccc1O ZINC000226618059 136213640 /nfs/dbraw/zinc/21/36/40/136213640.db2.gz VOBZGPGYNPSQKO-UHFFFAOYSA-N 1 0 239.290 2.214 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566022 398174520 /nfs/dbraw/zinc/17/45/20/398174520.db2.gz IBGMIDXWBWENHZ-CMPLNLGQSA-N 1 0 248.301 2.384 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000649904034 398174995 /nfs/dbraw/zinc/17/49/95/398174995.db2.gz JOHUKAVHZSZZFG-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1cc(C)no1 ZINC000308849083 136216892 /nfs/dbraw/zinc/21/68/92/136216892.db2.gz NKPVWJNMORZTJU-SNVBAGLBSA-N 1 0 208.305 2.470 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000424290086 398179028 /nfs/dbraw/zinc/17/90/28/398179028.db2.gz BCFLODGPCASMRX-SJHCENCUSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C2CC2)C2CCC2)nn1 ZINC000424290317 398179101 /nfs/dbraw/zinc/17/91/01/398179101.db2.gz BKFLCQALKHNZAC-CQSZACIVSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649905380 398179560 /nfs/dbraw/zinc/17/95/60/398179560.db2.gz ZAGIOPAQMSXHFS-QWRGUYRKSA-N 1 0 231.286 2.045 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000649905379 398179697 /nfs/dbraw/zinc/17/96/97/398179697.db2.gz ZAGIOPAQMSXHFS-MNOVXSKESA-N 1 0 231.286 2.045 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H]1CC ZINC000424290701 398180128 /nfs/dbraw/zinc/18/01/28/398180128.db2.gz BWLKNGMYBRTEFM-VOAKCMCISA-N 1 0 209.333 2.356 20 30 BEEDRO CCCC1(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000178006765 136217294 /nfs/dbraw/zinc/21/72/94/136217294.db2.gz NJSQPEYTTITWJN-UHFFFAOYSA-N 1 0 232.331 2.389 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000424294264 398181181 /nfs/dbraw/zinc/18/11/81/398181181.db2.gz KDJJTNWKNXYDLL-OBJOEFQTSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000649885781 398164503 /nfs/dbraw/zinc/16/45/03/398164503.db2.gz AKEUXMCWAXCVIW-SEBNEYGDSA-N 1 0 233.355 2.067 20 30 BEEDRO CC(C)(CCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000231402487 187325535 /nfs/dbraw/zinc/32/55/35/187325535.db2.gz JMTRZEYDVFJBPI-UHFFFAOYSA-N 1 0 232.327 2.056 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000649929671 398190264 /nfs/dbraw/zinc/19/02/64/398190264.db2.gz DIJMYJQNXBSCJU-YJNKXOJESA-N 1 0 235.371 2.414 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@H]1CCCC12CCOCC2 ZINC000309367961 136217987 /nfs/dbraw/zinc/21/79/87/136217987.db2.gz BNOIVRBJCXPXJK-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000649961489 398197435 /nfs/dbraw/zinc/19/74/35/398197435.db2.gz NGULYSWQUCCHPN-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000309522378 136218979 /nfs/dbraw/zinc/21/89/79/136218979.db2.gz BROHQSRUIOOFFG-AAEUAGOBSA-N 1 0 237.730 2.464 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cc(C#N)cs2)CC1 ZINC000309522374 136219063 /nfs/dbraw/zinc/21/90/63/136219063.db2.gz BRLPWIYISONJOV-UHFFFAOYSA-N 1 0 231.324 2.403 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H](O)C(F)F ZINC000336739217 136219170 /nfs/dbraw/zinc/21/91/70/136219170.db2.gz SEUAINHGQZYDRV-NXEZZACHSA-N 1 0 221.291 2.337 20 30 BEEDRO C=CCCCCN(CC(F)F)C[C@@H](C)O ZINC000576313362 365562205 /nfs/dbraw/zinc/56/22/05/365562205.db2.gz SEKSBVIROVEZQQ-SNVBAGLBSA-N 1 0 221.291 2.291 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCSC2)C1 ZINC000336744661 136219612 /nfs/dbraw/zinc/21/96/12/136219612.db2.gz ZRZIIXZZSWIMQJ-GRYCIOLGSA-N 1 0 224.373 2.411 20 30 BEEDRO Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000363934546 136219779 /nfs/dbraw/zinc/21/97/79/136219779.db2.gz YICBKMGCVCWFQM-CHWSQXEVSA-N 1 0 246.358 2.340 20 30 BEEDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000335543876 398206008 /nfs/dbraw/zinc/20/60/08/398206008.db2.gz LDVFVXPAEXEYFY-WFASDCNBSA-N 1 0 244.338 2.009 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000649406482 398206588 /nfs/dbraw/zinc/20/65/88/398206588.db2.gz VZPBAGURDVOIAK-CQSZACIVSA-N 1 0 235.302 2.121 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000194688398 136221122 /nfs/dbraw/zinc/22/11/22/136221122.db2.gz ITUNQRXKROVNHX-ZWKOPEQDSA-N 1 0 249.333 2.384 20 30 BEEDRO C=CCC1(CNC2=[NH+]CCCN2)CCCC1 ZINC000414361041 398220653 /nfs/dbraw/zinc/22/06/53/398220653.db2.gz PBHAFLASBIEFKU-UHFFFAOYSA-N 1 0 221.348 2.062 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000650025645 398221132 /nfs/dbraw/zinc/22/11/32/398221132.db2.gz YVVPWHCGJJVCEO-CQDKDKBSSA-N 1 0 235.371 2.175 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000650025647 398221235 /nfs/dbraw/zinc/22/12/35/398221235.db2.gz YVVPWHCGJJVCEO-NILFDRSVSA-N 1 0 235.371 2.175 20 30 BEEDRO CCC(CC)C[N@@H+](CCC#N)CCCCO ZINC000173552856 168351303 /nfs/dbraw/zinc/35/13/03/168351303.db2.gz HMBQFJMDACCCKU-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000421387744 192327323 /nfs/dbraw/zinc/32/73/23/192327323.db2.gz PMOFMUUFEORJLI-GHMZBOCLSA-N 1 0 234.299 2.198 20 30 BEEDRO CN(Cc1cc(C#N)cs1)C[C@H]1CCC[N@@H+]1C ZINC000421405296 192330982 /nfs/dbraw/zinc/33/09/82/192330982.db2.gz GDXDYWSNYZQEPZ-GFCCVEGCSA-N 1 0 249.383 2.146 20 30 BEEDRO CN(Cc1ccc(C#N)s1)C[C@@H]1CCC[N@@H+]1C ZINC000421399470 192331360 /nfs/dbraw/zinc/33/13/60/192331360.db2.gz AJSMZFOKLFCPOF-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO C=CCCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000179611693 259304585 /nfs/dbraw/zinc/30/45/85/259304585.db2.gz WXFYPHOUQBVAOL-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@H](C)CCC#N ZINC000602435446 349522152 /nfs/dbraw/zinc/52/21/52/349522152.db2.gz TZTVJZUDOPNGBM-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1C[C@H](C)CCC#N ZINC000602435448 349522483 /nfs/dbraw/zinc/52/24/83/349522483.db2.gz TZTVJZUDOPNGBM-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000602439922 349526332 /nfs/dbraw/zinc/52/63/32/349526332.db2.gz HSMPOMSFWASYQK-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)CC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602439386 349526376 /nfs/dbraw/zinc/52/63/76/349526376.db2.gz DMFWCUQSSLJDER-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CCN(CC)[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602438457 349525159 /nfs/dbraw/zinc/52/51/59/349525159.db2.gz RAFQRNLZUQXPIH-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C(C)C[NH+]1CCN(Cc2cccc(O)c2)CC1 ZINC000081018877 136227438 /nfs/dbraw/zinc/22/74/38/136227438.db2.gz PJULINOFBWPDPX-UHFFFAOYSA-N 1 0 246.354 2.086 20 30 BEEDRO C=CC[N@@H+](Cc1cnnn1C)CC1CCCCC1 ZINC000093382937 136228214 /nfs/dbraw/zinc/22/82/14/136228214.db2.gz WMXZWWSKXVUTBB-UHFFFAOYSA-N 1 0 248.374 2.383 20 30 BEEDRO C=C(C)CC[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000281239462 136227762 /nfs/dbraw/zinc/22/77/62/136227762.db2.gz GBQWLJUDSVJZHA-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO CC(C)N1CCC[N@@H+](C[C@H](C)CCC#N)CC1 ZINC000602428620 349533438 /nfs/dbraw/zinc/53/34/38/349533438.db2.gz QEFBRTWOWOMSDF-CQSZACIVSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](O)C(C)C ZINC000292803232 136229172 /nfs/dbraw/zinc/22/91/72/136229172.db2.gz BPSOARZMTXTDDW-AWEZNQCLSA-N 1 0 237.343 2.327 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1OC ZINC000286164631 398248765 /nfs/dbraw/zinc/24/87/65/398248765.db2.gz OGGUUSRPQUAKER-UHFFFAOYSA-N 1 0 242.322 2.410 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000336779756 398249137 /nfs/dbraw/zinc/24/91/37/398249137.db2.gz PMMGMNSQAFONMW-IGQOVBAYSA-N 1 0 223.360 2.339 20 30 BEEDRO Cc1cccc(CC[NH2+]CC2(C#N)CC2)c1 ZINC000258910351 349535086 /nfs/dbraw/zinc/53/50/86/349535086.db2.gz MCKSBGOIDVCBHN-UHFFFAOYSA-N 1 0 214.312 2.431 20 30 BEEDRO Cc1ccsc1C[NH2+]CC1(C#N)CC1 ZINC000258967956 349535690 /nfs/dbraw/zinc/53/56/90/349535690.db2.gz SNQJNYAKSGHEGC-UHFFFAOYSA-N 1 0 206.314 2.450 20 30 BEEDRO COc1cccc(C(C)(C)C[NH2+]CCC#N)c1 ZINC000258974149 349535929 /nfs/dbraw/zinc/53/59/29/349535929.db2.gz VMPFJESCKUNKOF-UHFFFAOYSA-N 1 0 232.327 2.476 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000191989478 398247002 /nfs/dbraw/zinc/24/70/02/398247002.db2.gz JKZBBBUXTQWDCB-OAHLLOKOSA-N 1 0 229.323 2.149 20 30 BEEDRO CC#CCC[N@@H+]1CCCc2occc2C1 ZINC000288874129 398252251 /nfs/dbraw/zinc/25/22/51/398252251.db2.gz QPYJWVWIHNOTGL-UHFFFAOYSA-N 1 0 203.285 2.441 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000343516454 136230649 /nfs/dbraw/zinc/23/06/49/136230649.db2.gz RIXFTJKGCCRQJG-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO CCCN1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000156976054 323006376 /nfs/dbraw/zinc/00/63/76/323006376.db2.gz IDAGDAJRXIYYCQ-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000343516457 136230770 /nfs/dbraw/zinc/23/07/70/136230770.db2.gz RIXFTJKGCCRQJG-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576714832 365667109 /nfs/dbraw/zinc/66/71/09/365667109.db2.gz FJIXIMAQGNVKPW-LBPRGKRZSA-N 1 0 245.282 2.475 20 30 BEEDRO CC(C)[N@@H+](CCC#N)CCC[C@H]1CCO1 ZINC000602446429 349546259 /nfs/dbraw/zinc/54/62/59/349546259.db2.gz CDANWAIOINYCBD-LBPRGKRZSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@@H]1CCCO1 ZINC000602448619 349549883 /nfs/dbraw/zinc/54/98/83/349549883.db2.gz JPJOHRKTADLWFO-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@@H+](Cc1cnn(C)c1)C[C@@H](C)CCC#N ZINC000602449809 349550515 /nfs/dbraw/zinc/55/05/15/349550515.db2.gz SNYKQFNHXLMDIG-LBPRGKRZSA-N 1 0 234.347 2.182 20 30 BEEDRO C=CCOCC[N@@H+](C)C[C@H](C)c1nccs1 ZINC000294694708 398262954 /nfs/dbraw/zinc/26/29/54/398262954.db2.gz UBMHKEXOHFYOIJ-NSHDSACASA-N 1 0 240.372 2.381 20 30 BEEDRO Cc1ncc([C@H](C)N(C)[C@@H](C)CC#N)c(C)n1 ZINC000602461513 349555346 /nfs/dbraw/zinc/55/53/46/349555346.db2.gz GSBPOQOMITZLDT-ONGXEEELSA-N 1 0 232.331 2.388 20 30 BEEDRO CC(C)[N@H+](C[C@H](C)O)C[C@@H](C)CCC#N ZINC000602460947 349555846 /nfs/dbraw/zinc/55/58/46/349555846.db2.gz ICKYMISYVXMFRQ-RYUDHWBXSA-N 1 0 212.337 2.017 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(C#N)c1 ZINC000129606499 398264613 /nfs/dbraw/zinc/26/46/13/398264613.db2.gz NXUDIXZRGXVJMD-SWHYSGLUSA-N 1 0 244.338 2.368 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1snnc1C ZINC000385052933 398261266 /nfs/dbraw/zinc/26/12/66/398261266.db2.gz RGZHCVWCZNGDOM-UHFFFAOYSA-N 1 0 211.334 2.148 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000602443560 349545285 /nfs/dbraw/zinc/54/52/85/349545285.db2.gz FPKNUXRQVUGSMJ-UTUOFQBUSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC2(CCC2)C1 ZINC000602475635 349563442 /nfs/dbraw/zinc/56/34/42/349563442.db2.gz LUTOATKDTJPPQG-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCOC[C@@H]1C ZINC000602476213 349563533 /nfs/dbraw/zinc/56/35/33/349563533.db2.gz WPOMZOVWHYTIPG-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[C@@H](CN(C[C@@H](C)C#N)C1CC1)OC ZINC000602485662 349566889 /nfs/dbraw/zinc/56/68/89/349566889.db2.gz RERMROCNBGYRMI-AAEUAGOBSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC[C@@H](CN(C[C@H](C)C#N)C1CC1)OC ZINC000602485736 349567469 /nfs/dbraw/zinc/56/74/69/349567469.db2.gz RERMROCNBGYRMI-YPMHNXCESA-N 1 0 224.348 2.426 20 30 BEEDRO CCC[C@H](CN(C[C@@H](C)C#N)C1CC1)OC ZINC000602485735 349567486 /nfs/dbraw/zinc/56/74/86/349567486.db2.gz RERMROCNBGYRMI-WCQYABFASA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000602486036 349567907 /nfs/dbraw/zinc/56/79/07/349567907.db2.gz UCZVFJBSMWVLGS-VXGBXAGGSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCCO1 ZINC000602523494 349576873 /nfs/dbraw/zinc/57/68/73/349576873.db2.gz YVMDPJFGPPQEJP-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+]C[C@@H](C)CCC#N ZINC000602529391 349579533 /nfs/dbraw/zinc/57/95/33/349579533.db2.gz VUBAJTJQRHGBKM-JTQLQIEISA-N 1 0 234.347 2.066 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccccn1 ZINC000602503587 349580931 /nfs/dbraw/zinc/58/09/31/349580931.db2.gz MBKHFWGWZOOUEL-LBPRGKRZSA-N 1 0 217.316 2.154 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccco1 ZINC000602504448 349581889 /nfs/dbraw/zinc/58/18/89/349581889.db2.gz QCWLCZRQXOVSOZ-NSHDSACASA-N 1 0 206.289 2.352 20 30 BEEDRO CC[C@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602506419 349582637 /nfs/dbraw/zinc/58/26/37/349582637.db2.gz UYBNOSSOIHMNDC-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](C[NH2+]C[C@H](C)CCC#N)N1CCCC1 ZINC000602507239 349583593 /nfs/dbraw/zinc/58/35/93/349583593.db2.gz DOAPGHGKMUNYOO-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO CC(C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602508734 349584377 /nfs/dbraw/zinc/58/43/77/349584377.db2.gz WYXGDHMJCOAYJZ-NSHDSACASA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccnc1N(C)C ZINC000602510136 349584482 /nfs/dbraw/zinc/58/44/82/349584482.db2.gz KHZIIOVDOLEPKY-LBPRGKRZSA-N 1 0 246.358 2.177 20 30 BEEDRO C=CCCCC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000580277472 346833027 /nfs/dbraw/zinc/83/30/27/346833027.db2.gz VXWDJUDTHDBKFG-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000602510672 349585080 /nfs/dbraw/zinc/58/50/80/349585080.db2.gz LLMCAPDKLFZXHR-DGCLKSJQSA-N 1 0 246.358 2.327 20 30 BEEDRO CC(C)C[C@H](C[NH2+]C[C@@H](C)CCC#N)N(C)C ZINC000602511275 349585229 /nfs/dbraw/zinc/58/52/29/349585229.db2.gz NVYSIBLAEGWNCD-UONOGXRCSA-N 1 0 239.407 2.492 20 30 BEEDRO CC(C)C[C@@H](C[NH2+]C[C@@H](C)CCC#N)N(C)C ZINC000602511272 349585355 /nfs/dbraw/zinc/58/53/55/349585355.db2.gz NVYSIBLAEGWNCD-KBPBESRZSA-N 1 0 239.407 2.492 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCCC[C@@H]1C ZINC000602514457 349586941 /nfs/dbraw/zinc/58/69/41/349586941.db2.gz JOPKOXZJFXAWQT-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO Cc1ncc(C[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602544526 349588653 /nfs/dbraw/zinc/58/86/53/349588653.db2.gz KMCJRCPNLGZAEZ-VIFPVBQESA-N 1 0 223.345 2.481 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000602544417 349588698 /nfs/dbraw/zinc/58/86/98/349588698.db2.gz AXZHBDYGTIRECP-UKRRQHHQSA-N 1 0 246.354 2.424 20 30 BEEDRO C=CCSCC[NH2+]C[C@](C)(OC)C1CC1 ZINC000602544045 349588710 /nfs/dbraw/zinc/58/87/10/349588710.db2.gz HUYCKJVYWWBPCA-LBPRGKRZSA-N 1 0 229.389 2.310 20 30 BEEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)N(C)C1CC1 ZINC000602544429 349588919 /nfs/dbraw/zinc/58/89/19/349588919.db2.gz RNGLSTMXZKUAGV-HIFPTAJRSA-N 1 0 235.375 2.141 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000602518897 349573849 /nfs/dbraw/zinc/57/38/49/349573849.db2.gz SNVIIJVGOWFXLE-CPCZMJQVSA-N 1 0 222.332 2.085 20 30 BEEDRO Cc1noc(C)c1C[NH2+]C[C@@H](C)CCC#N ZINC000602520550 349574800 /nfs/dbraw/zinc/57/48/00/349574800.db2.gz HZABYVZGDOIHAK-VIFPVBQESA-N 1 0 221.304 2.321 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCOC1 ZINC000602557911 349598291 /nfs/dbraw/zinc/59/82/91/349598291.db2.gz MISCHLOLIVWARS-IGJPJIBNSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H]2CCO[C@@H]21 ZINC000602557853 349598646 /nfs/dbraw/zinc/59/86/46/349598646.db2.gz JPFBOKIQESISKF-LFGDDXOXSA-N 1 0 248.370 2.472 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)C1CCCCC1 ZINC000602558983 349598794 /nfs/dbraw/zinc/59/87/94/349598794.db2.gz ACWWKHPIPNZDNN-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602560655 349599757 /nfs/dbraw/zinc/59/97/57/349599757.db2.gz ZHUUQGJVPWTEGY-BPCQOVAHSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602560818 349599786 /nfs/dbraw/zinc/59/97/86/349599786.db2.gz UZJIQKWPDHENNI-ZFDZMSFRSA-N 1 0 224.348 2.065 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000602559567 349599940 /nfs/dbraw/zinc/59/99/40/349599940.db2.gz PMUDGRMOIZAGMK-HHTDUIENSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602560656 349599980 /nfs/dbraw/zinc/59/99/80/349599980.db2.gz ZHUUQGJVPWTEGY-WXRRBKDZSA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCN(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602563010 349601416 /nfs/dbraw/zinc/60/14/16/349601416.db2.gz JSQRKFQNVUBQCS-CYBMUJFWSA-N 1 0 225.380 2.248 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(CCO)CCCC1 ZINC000602562642 349601667 /nfs/dbraw/zinc/60/16/67/349601667.db2.gz VICWLGWZGDRNRK-ZDUSSCGKSA-N 1 0 238.375 2.459 20 30 BEEDRO CCC(CC)[C@@H](O)C[NH2+]C[C@@H](C)CCC#N ZINC000602552233 349593908 /nfs/dbraw/zinc/59/39/08/349593908.db2.gz HNEYCZNLMZBMSE-AAEUAGOBSA-N 1 0 226.364 2.313 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000602551831 349594087 /nfs/dbraw/zinc/59/40/87/349594087.db2.gz KDXLERURSFRCTP-HHTDUIENSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602552476 349594399 /nfs/dbraw/zinc/59/43/99/349594399.db2.gz SKPVSKPTJUXLPS-SNVBAGLBSA-N 1 0 201.273 2.007 20 30 BEEDRO C[C@]1(C[NH2+]C2CCC(C#N)CC2)CCOC1 ZINC000602553115 349594598 /nfs/dbraw/zinc/59/45/98/349594598.db2.gz VHUNMTYVXKCLOW-WXRRBKDZSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000602554468 349596095 /nfs/dbraw/zinc/59/60/95/349596095.db2.gz YWLIHMGVYCNHGZ-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000602540322 349605595 /nfs/dbraw/zinc/60/55/95/349605595.db2.gz LDPABRHBWYZAJA-HIFRSBDPSA-N 1 0 246.354 2.119 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN(C)C1CCCC1 ZINC000602540398 349605692 /nfs/dbraw/zinc/60/56/92/349605692.db2.gz OCFRGPXSXWXKLH-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCCO1 ZINC000602578293 349606781 /nfs/dbraw/zinc/60/67/81/349606781.db2.gz XJBVMJBJINYOIQ-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602577168 349606865 /nfs/dbraw/zinc/60/68/65/349606865.db2.gz UIFVMLFRGGFRPH-YWPUVAFDSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H](CO)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602579013 349607604 /nfs/dbraw/zinc/60/76/04/349607604.db2.gz QMIBFBQLBHUQTF-HIFPTAJRSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H](C)CCC#N ZINC000602579782 349607688 /nfs/dbraw/zinc/60/76/88/349607688.db2.gz HARAWZQZIRTZFY-GFCCVEGCSA-N 1 0 210.321 2.109 20 30 BEEDRO CCc1nnc([C@H](C)[NH2+]C2CCC(C#N)CC2)[nH]1 ZINC000602580736 349608296 /nfs/dbraw/zinc/60/82/96/349608296.db2.gz ZLGLVRQBGURJDC-WHXUTIOJSA-N 1 0 247.346 2.100 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cn[nH]c1 ZINC000602582295 349609943 /nfs/dbraw/zinc/60/99/43/349609943.db2.gz VNIDWVOLVUZSFP-VHSXEESVSA-N 1 0 206.293 2.000 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000602582294 349610333 /nfs/dbraw/zinc/61/03/33/349610333.db2.gz VNIDWVOLVUZSFP-UWVGGRQHSA-N 1 0 206.293 2.000 20 30 BEEDRO C=C[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418496018 192042497 /nfs/dbraw/zinc/04/24/97/192042497.db2.gz UYJCTRQASBBCSW-MNOVXSKESA-N 1 0 247.342 2.080 20 30 BEEDRO C=C[C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418496017 192042502 /nfs/dbraw/zinc/04/25/02/192042502.db2.gz UYJCTRQASBBCSW-GHMZBOCLSA-N 1 0 247.342 2.080 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600162541 342693580 /nfs/dbraw/zinc/69/35/80/342693580.db2.gz SUVXXQOVORDDSX-UHFFFAOYSA-N 1 0 248.326 2.314 20 30 BEEDRO C[C@]1(C[NH+]2CC(CC#N)C2)CCCS1 ZINC000600180977 342697149 /nfs/dbraw/zinc/69/71/49/342697149.db2.gz OUCSJSSYAZOLDR-LLVKDONJSA-N 1 0 210.346 2.118 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)s1 ZINC000600188416 342698746 /nfs/dbraw/zinc/69/87/46/342698746.db2.gz BEWOWNGKXXAXRH-DTORHVGOSA-N 1 0 204.298 2.071 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](CCF)C1 ZINC000600204837 342701467 /nfs/dbraw/zinc/70/14/67/342701467.db2.gz MZIBWWBGSOXUKS-GFCCVEGCSA-N 1 0 242.338 2.377 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000602588069 349613594 /nfs/dbraw/zinc/61/35/94/349613594.db2.gz KRCOMTIWPYWZRM-RDBSUJKOSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000602591101 349615111 /nfs/dbraw/zinc/61/51/11/349615111.db2.gz FKTKBLVGPDTREQ-QWRGUYRKSA-N 1 0 245.326 2.080 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000348689662 136236670 /nfs/dbraw/zinc/23/66/70/136236670.db2.gz XDTUIZKPDMKCJF-XGNXJENSSA-N 1 0 238.375 2.378 20 30 BEEDRO COC[C@H]([NH2+]C[C@H](C)CCC#N)c1ccco1 ZINC000602563714 349616211 /nfs/dbraw/zinc/61/62/11/349616211.db2.gz HHEQJWWLWNRQMA-NEPJUHHUSA-N 1 0 236.315 2.497 20 30 BEEDRO CCN1CCC[N@H+](CCCCC#N)[C@@H](C)C1 ZINC000320301218 342733108 /nfs/dbraw/zinc/73/31/08/342733108.db2.gz IYBXNJDGLHFUDI-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000320688699 342736145 /nfs/dbraw/zinc/73/61/45/342736145.db2.gz VZWNYADAOQCQEV-ZDUSSCGKSA-N 1 0 230.311 2.195 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629995263 361878486 /nfs/dbraw/zinc/87/84/86/361878486.db2.gz PEAHOMPPFGZGJR-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CCC#N)C1(C)C ZINC000602564990 349617123 /nfs/dbraw/zinc/61/71/23/349617123.db2.gz XUAYFSXLSIEJFC-IJLUTSLNSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C1(C)C ZINC000602564998 349617158 /nfs/dbraw/zinc/61/71/58/349617158.db2.gz YJGLSGTXQBLYFZ-TUUUFIMRSA-N 1 0 236.359 2.472 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000309650394 342775052 /nfs/dbraw/zinc/77/50/52/342775052.db2.gz NVDARIZTKGCOJJ-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO COCCC(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602565972 349617996 /nfs/dbraw/zinc/61/79/96/349617996.db2.gz TXHNPDWJMMUONP-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000602571834 349621568 /nfs/dbraw/zinc/62/15/68/349621568.db2.gz OYOVQSDTPWKLHS-ZYHUDNBSSA-N 1 0 232.331 2.317 20 30 BEEDRO COC[C@@H]([NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602571362 349621783 /nfs/dbraw/zinc/62/17/83/349621783.db2.gz KUKGDSHHBLUUJP-KGPNIALWSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]C1CCC(C#N)CC1 ZINC000602570224 349621010 /nfs/dbraw/zinc/62/10/10/349621010.db2.gz SVPXHRGQQKRVRY-NELGMTEASA-N 1 0 236.359 2.473 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000336672222 342815498 /nfs/dbraw/zinc/81/54/98/342815498.db2.gz AEWCIZFUKXYSCL-QUCGXOGASA-N 1 0 236.340 2.036 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000355733883 398288047 /nfs/dbraw/zinc/28/80/47/398288047.db2.gz NGFJFTMXQIEHLJ-DOMZBBRYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCOC1 ZINC000355719410 398288109 /nfs/dbraw/zinc/28/81/09/398288109.db2.gz BOFCZCPOCYPCRC-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccn(C)c1 ZINC000602573143 349622277 /nfs/dbraw/zinc/62/22/77/349622277.db2.gz OVAJUMCOZBYLDJ-NSHDSACASA-N 1 0 205.305 2.055 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000403974952 529397966 /nfs/dbraw/zinc/39/79/66/529397966.db2.gz CXODPQOTWAUQOH-GFCCVEGCSA-N 1 0 236.290 2.212 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)Cc1cccs1 ZINC000390431164 539021662 /nfs/dbraw/zinc/02/16/62/539021662.db2.gz PPPJLMFCWOMFTH-RYUDHWBXSA-N 1 0 239.384 2.453 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CCCN(C)C1)C1CC1 ZINC000390576637 539026293 /nfs/dbraw/zinc/02/62/93/539026293.db2.gz WCHKUYLIDNWZAT-KBPBESRZSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CCCN(C)C1)C1CC1 ZINC000390576663 539026410 /nfs/dbraw/zinc/02/64/10/539026410.db2.gz WCHKUYLIDNWZAT-UONOGXRCSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000602606124 349628192 /nfs/dbraw/zinc/62/81/92/349628192.db2.gz AIBLGMVNJDBKRR-MRVWCRGKSA-N 1 0 236.359 2.473 20 30 BEEDRO CN(CC[NH+](C)C)c1ccc(Cl)cc1C#N ZINC000110895388 398301247 /nfs/dbraw/zinc/30/12/47/398301247.db2.gz XLXWMDASORIFFW-UHFFFAOYSA-N 1 0 237.734 2.209 20 30 BEEDRO CCC[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000602607866 349630653 /nfs/dbraw/zinc/63/06/53/349630653.db2.gz KIWSGFZAFGQACS-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[N@H+](CC)CCOC1CCOCC1 ZINC000625063398 342847567 /nfs/dbraw/zinc/84/75/67/342847567.db2.gz NZNMMUSCUJBKQV-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)CC1CC1 ZINC000069238173 398310942 /nfs/dbraw/zinc/31/09/42/398310942.db2.gz TUFNIRLCPXIRML-HNNXBMFYSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC1(F)F ZINC000602608665 349631594 /nfs/dbraw/zinc/63/15/94/349631594.db2.gz VLTJFMJSJLMZKO-SFYZADRCSA-N 1 0 202.248 2.169 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)o1 ZINC000342828240 342865341 /nfs/dbraw/zinc/86/53/41/342865341.db2.gz XFMUKJLSPVUDKG-GFCCVEGCSA-N 1 0 248.326 2.278 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+]CCCCC#N ZINC000134557175 342865760 /nfs/dbraw/zinc/86/57/60/342865760.db2.gz XXYCLKASTDXJNT-VIFPVBQESA-N 1 0 206.293 2.063 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C#N)c(F)c1 ZINC000417401523 398306692 /nfs/dbraw/zinc/30/66/92/398306692.db2.gz LMXCOEZBJGGFQW-IUPBHXKESA-N 1 0 248.301 2.261 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C#N)cc1 ZINC000417415756 398306755 /nfs/dbraw/zinc/30/67/55/398306755.db2.gz ZPXCIYXPXBLFOF-LEWSCRJBSA-N 1 0 230.311 2.122 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000342843978 342877276 /nfs/dbraw/zinc/87/72/76/342877276.db2.gz ZMFWULUAKPWQLA-CYBMUJFWSA-N 1 0 248.351 2.375 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000020206856 398316081 /nfs/dbraw/zinc/31/60/81/398316081.db2.gz IQNHLAIQHBYZBC-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO Cc1ccncc1C[NH2+]CC1(CC#N)CC1 ZINC000167259352 136245277 /nfs/dbraw/zinc/24/52/77/136245277.db2.gz XLKLUNJNCPHNAS-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO C[C@H](CC1CCOCC1)[NH2+]CC1(C#N)CC1 ZINC000309781041 342897344 /nfs/dbraw/zinc/89/73/44/342897344.db2.gz RDQNRRFLNHGXSA-LLVKDONJSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000232782210 342880403 /nfs/dbraw/zinc/88/04/03/342880403.db2.gz HCFJVJVEHDESPP-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233766679 342881184 /nfs/dbraw/zinc/88/11/84/342881184.db2.gz YUCFRYZJXRGSTQ-NSHDSACASA-N 1 0 248.326 2.081 20 30 BEEDRO CC1(C#N)CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000602609880 349633547 /nfs/dbraw/zinc/63/35/47/349633547.db2.gz YEOMSOSUIISJOE-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]([NH3+])CCC ZINC000236891027 398322838 /nfs/dbraw/zinc/32/28/38/398322838.db2.gz QNBZBBMAVHMYHR-GFCCVEGCSA-N 1 0 226.364 2.319 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C1CCC(OC)CC1 ZINC000351599679 136247372 /nfs/dbraw/zinc/24/73/72/136247372.db2.gz XCBZDQLHDQELFM-MOKVOYLWSA-N 1 0 241.375 2.203 20 30 BEEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602616297 349638900 /nfs/dbraw/zinc/63/89/00/349638900.db2.gz UPOLMHITIQJQKH-UTUOFQBUSA-N 1 0 240.347 2.104 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000602618792 349639660 /nfs/dbraw/zinc/63/96/60/349639660.db2.gz FQJOWCLCZYCBCI-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000602618940 349639831 /nfs/dbraw/zinc/63/98/31/349639831.db2.gz UBSNKAFDKBCCOY-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CC(C)(C)O)C1CC1 ZINC000602621477 349641162 /nfs/dbraw/zinc/64/11/62/349641162.db2.gz IABDCZGJNKQKJE-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)ncn1 ZINC000260102179 349647696 /nfs/dbraw/zinc/64/76/96/349647696.db2.gz QCECLLKNWIWMQS-UHFFFAOYSA-N 1 0 244.342 2.301 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602632640 349649246 /nfs/dbraw/zinc/64/92/46/349649246.db2.gz YKMZEWAYUYXPSU-DMOGRIERSA-N 1 0 210.321 2.082 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](C)CCC#N)on1 ZINC000602594849 349642960 /nfs/dbraw/zinc/64/29/60/349642960.db2.gz UVILWDKQPBINDG-SECBINFHSA-N 1 0 207.277 2.013 20 30 BEEDRO Cc1cc(C[NH2+]C2CCC(C#N)CC2)on1 ZINC000602594864 349643102 /nfs/dbraw/zinc/64/31/02/349643102.db2.gz VKGKPYFLZBTWFW-UHFFFAOYSA-N 1 0 219.288 2.155 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H]1CCCCO1 ZINC000602596164 349644088 /nfs/dbraw/zinc/64/40/88/349644088.db2.gz ILQHBWLJWDEPTO-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO COC(=O)C(C)(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602652286 349659411 /nfs/dbraw/zinc/65/94/11/349659411.db2.gz WFHOMHGIXUVNPT-NSHDSACASA-N 1 0 240.347 2.105 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@H](C)CCC#N)c1nncn1C ZINC000602652393 349660234 /nfs/dbraw/zinc/66/02/34/349660234.db2.gz YABUHMIVKBIDCD-NEPJUHHUSA-N 1 0 249.362 2.042 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000602653403 349660311 /nfs/dbraw/zinc/66/03/11/349660311.db2.gz ZUEWHBCEAPWTSQ-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO N#CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602641618 349653961 /nfs/dbraw/zinc/65/39/61/349653961.db2.gz BYVVZPBRZAFAFR-UHFFFAOYSA-N 1 0 245.282 2.031 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000119866548 398329784 /nfs/dbraw/zinc/32/97/84/398329784.db2.gz GNHREYVXBITPAE-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602643926 349656038 /nfs/dbraw/zinc/65/60/38/349656038.db2.gz OVSNXDSYCFAXMU-UHFFFAOYSA-N 1 0 236.315 2.166 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc(F)c2N)CC1 ZINC000602643732 349656163 /nfs/dbraw/zinc/65/61/63/349656163.db2.gz SFYNCMUMAVHWMP-UHFFFAOYSA-N 1 0 233.290 2.191 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000602643591 349656356 /nfs/dbraw/zinc/65/63/56/349656356.db2.gz RBOHUZRVWNXZBB-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1noc([C@@H](C)[NH2+]C2CCC(C#N)CC2)n1 ZINC000602644934 349656668 /nfs/dbraw/zinc/65/66/68/349656668.db2.gz NDCGYODWTHBZLR-MFAVDMRSSA-N 1 0 234.303 2.111 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000602644554 349656994 /nfs/dbraw/zinc/65/69/94/349656994.db2.gz YIYPFQMYOAXRRV-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCSC1 ZINC000602645741 349657543 /nfs/dbraw/zinc/65/75/43/349657543.db2.gz ZIYSVKRJMKNCBG-MNOVXSKESA-N 1 0 212.362 2.269 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000602647668 349658372 /nfs/dbraw/zinc/65/83/72/349658372.db2.gz JWWPHIIKNGNDOK-BZPMIXESSA-N 1 0 236.359 2.426 20 30 BEEDRO CO[C@](C)(C[N@H+](C)CC(C)(C)C#N)C1CC1 ZINC000602676019 349669256 /nfs/dbraw/zinc/66/92/56/349669256.db2.gz OWKSCUOSQLJNNM-CYBMUJFWSA-N 1 0 224.348 2.283 20 30 BEEDRO N#CC1CCC(C[NH2+]CCC[C@@H]2CCO2)CC1 ZINC000602657782 349662808 /nfs/dbraw/zinc/66/28/08/349662808.db2.gz SSWZCKYAOKPOPU-JXQTWKCFSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)O ZINC000602678022 349670879 /nfs/dbraw/zinc/67/08/79/349670879.db2.gz ZSBCBWHEQCWDHN-MCIGGMRASA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(N(C)C)CCC1 ZINC000602626845 349664483 /nfs/dbraw/zinc/66/44/83/349664483.db2.gz AAJYYQKELYYXMA-LBPRGKRZSA-N 1 0 223.364 2.000 20 30 BEEDRO CCOC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602630069 349665070 /nfs/dbraw/zinc/66/50/70/349665070.db2.gz SOHDIXZUNXQQDW-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](C[C@H](C)CCC#N)CCN1C ZINC000602629823 349665175 /nfs/dbraw/zinc/66/51/75/349665175.db2.gz JGWPJMLEHTZLBT-KGLIPLIRSA-N 1 0 237.391 2.198 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](C)CCC#N ZINC000602629403 349665225 /nfs/dbraw/zinc/66/52/25/349665225.db2.gz GFTAOEZCPORZLY-GFCCVEGCSA-N 1 0 210.321 2.061 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000602678551 349670996 /nfs/dbraw/zinc/67/09/96/349670996.db2.gz GAFMSQZDWRPIEV-WFASDCNBSA-N 1 0 244.338 2.351 20 30 BEEDRO C[C@@H]1C[NH+](CCCSCC#N)C[C@@H](C)S1 ZINC000074991708 398334863 /nfs/dbraw/zinc/33/48/63/398334863.db2.gz QBBURUGBOROFGV-GHMZBOCLSA-N 1 0 244.429 2.459 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)[C@H]1CCOC1 ZINC000602673634 349667432 /nfs/dbraw/zinc/66/74/32/349667432.db2.gz AFJQCGDFAHHIKO-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](C)CCC#N)ccn1 ZINC000602673582 349667699 /nfs/dbraw/zinc/66/76/99/349667699.db2.gz KZVUVIHUAQBEPB-NSHDSACASA-N 1 0 217.316 2.420 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@H](C)OC ZINC000602673809 349667733 /nfs/dbraw/zinc/66/77/33/349667733.db2.gz CRVPJWVPDLVRBN-NEPJUHHUSA-N 1 0 212.337 2.283 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602682884 349674378 /nfs/dbraw/zinc/67/43/78/349674378.db2.gz SOHATKUXBCGDIY-UHFFFAOYSA-N 1 0 236.315 2.166 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000602682221 349674557 /nfs/dbraw/zinc/67/45/57/349674557.db2.gz ONIYODSJIVGAHT-UHFFFAOYSA-N 1 0 236.315 2.247 20 30 BEEDRO CCc1ncc(C[NH2+]C[C@H](C)CCC#N)o1 ZINC000602683190 349675139 /nfs/dbraw/zinc/67/51/39/349675139.db2.gz JHTWPLAVCPLTAU-SNVBAGLBSA-N 1 0 221.304 2.266 20 30 BEEDRO CCOC1(C)C[NH+](C[C@H](C)CCC#N)C1 ZINC000602689178 349679495 /nfs/dbraw/zinc/67/94/95/349679495.db2.gz SUQNLELXYBUJCP-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000602684374 349676509 /nfs/dbraw/zinc/67/65/09/349676509.db2.gz WXOAGGAVOIMWOG-GRYCIOLGSA-N 1 0 232.331 2.418 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602684438 349676559 /nfs/dbraw/zinc/67/65/59/349676559.db2.gz YFYKCDNUUYHAMX-NEPJUHHUSA-N 1 0 234.347 2.493 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449755158 398340133 /nfs/dbraw/zinc/34/01/33/398340133.db2.gz MMCINBALXUUFLL-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C[C@H]1C ZINC000602685462 349677297 /nfs/dbraw/zinc/67/72/97/349677297.db2.gz PPRMDRPVLGSFSO-YNEHKIRRSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(C)CC[N@@H+](CC)Cc1cnn(C)c1 ZINC000351730718 136250775 /nfs/dbraw/zinc/25/07/75/136250775.db2.gz RCYSYLLTMLWHBO-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C(C)(C)O ZINC000602679915 349672835 /nfs/dbraw/zinc/67/28/35/349672835.db2.gz BJBVBSUJMSRFMZ-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000602718932 349687720 /nfs/dbraw/zinc/68/77/20/349687720.db2.gz UEBZWSSCSKFATE-CHWSQXEVSA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602668923 349686136 /nfs/dbraw/zinc/68/61/36/349686136.db2.gz YKMZEWAYUYXPSU-QYNFOATHSA-N 1 0 210.321 2.082 20 30 BEEDRO N#CCCC[N@@H+]1CCc2sccc2C1 ZINC000019514789 342950569 /nfs/dbraw/zinc/95/05/69/342950569.db2.gz MCPRQHKJHHIDPF-UHFFFAOYSA-N 1 0 206.314 2.410 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cccc(C#N)n1 ZINC000602660886 349680210 /nfs/dbraw/zinc/68/02/10/349680210.db2.gz AFTGOTNIYYYJJT-UHFFFAOYSA-N 1 0 242.326 2.373 20 30 BEEDRO CC(C)C[N@H+](CCN(C)C)C[C@H](C)CCC#N ZINC000602659445 349680274 /nfs/dbraw/zinc/68/02/74/349680274.db2.gz OBSZKOWAQYIJBX-CQSZACIVSA-N 1 0 239.407 2.446 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CC2CCSCC2)C1 ZINC000602718877 349687543 /nfs/dbraw/zinc/68/75/43/349687543.db2.gz RUTALHOLXBIPPL-LBPRGKRZSA-N 1 0 224.373 2.365 20 30 BEEDRO C[C@@H](CF)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602661801 349681081 /nfs/dbraw/zinc/68/10/81/349681081.db2.gz INJHFKDZWRVRDA-QWRGUYRKSA-N 1 0 228.311 2.033 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000602692473 349689673 /nfs/dbraw/zinc/68/96/73/349689673.db2.gz IGYYLMQFDFKMPX-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000602692893 349689759 /nfs/dbraw/zinc/68/97/59/349689759.db2.gz ZVUAKVQPAYCGQV-OUAUKWLOSA-N 1 0 212.362 2.410 20 30 BEEDRO CO[C@@](C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000602692744 349689788 /nfs/dbraw/zinc/68/97/88/349689788.db2.gz AOGAEXCOKUPJOG-UHTWSYAYSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC1(F)F ZINC000602692787 349689821 /nfs/dbraw/zinc/68/98/21/349689821.db2.gz BCCDQKCETFYCAF-RGOKHQFPSA-N 1 0 214.259 2.312 20 30 BEEDRO CCC[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000602695418 349691357 /nfs/dbraw/zinc/69/13/57/349691357.db2.gz TVCWVBFYAKDLEQ-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000602695412 349691574 /nfs/dbraw/zinc/69/15/74/349691574.db2.gz SWERGXNIFRKROB-WUHRBBMRSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000602694884 349691695 /nfs/dbraw/zinc/69/16/95/349691695.db2.gz OKTKXNNFFYWUGK-YUTCNCBUSA-N 1 0 236.359 2.473 20 30 BEEDRO CCCC[C@](C)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602694747 349691794 /nfs/dbraw/zinc/69/17/94/349691794.db2.gz BZOOHRDEZMLNSV-CHWSQXEVSA-N 1 0 226.364 2.457 20 30 BEEDRO COCCCC[N@H+](C)C[C@@H](C)CCC#N ZINC000602695826 349692451 /nfs/dbraw/zinc/69/24/51/349692451.db2.gz PHTBEMPMBBBCNZ-LBPRGKRZSA-N 1 0 212.337 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000351781835 136254079 /nfs/dbraw/zinc/25/40/79/136254079.db2.gz PESAWTHPGKCBKB-RISCZKNCSA-N 1 0 249.741 2.004 20 30 BEEDRO CC[C@](C)(C[NH2+]CC1(C#N)CCC1)OC ZINC000602698243 349694333 /nfs/dbraw/zinc/69/43/33/349694333.db2.gz MTRQPDQTQKDAHD-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000602699133 349695464 /nfs/dbraw/zinc/69/54/64/349695464.db2.gz JLHLGJQUDBRBRZ-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CCC[C@H](CC#N)C1)OC ZINC000602704991 349698844 /nfs/dbraw/zinc/69/88/44/349698844.db2.gz IZNVLSHXIYMDBS-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1ccc(NCC2CC[NH+](C)CC2)nc1C#N ZINC000302828695 187207560 /nfs/dbraw/zinc/20/75/60/187207560.db2.gz ONQKGAUTEYUVJQ-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(CCC)C(=O)C1(C)C ZINC000351832438 136256175 /nfs/dbraw/zinc/25/61/75/136256175.db2.gz FPEFFFGJAGNDCT-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000309018171 133453041 /nfs/dbraw/zinc/45/30/41/133453041.db2.gz VLPLNECNBRGJTI-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000602707833 349700819 /nfs/dbraw/zinc/70/08/19/349700819.db2.gz JSQOTMSSAFQYOJ-OCCSQVGLSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H](C)CCC#N ZINC000602712480 349704927 /nfs/dbraw/zinc/70/49/27/349704927.db2.gz XRFUWTRWNJWFKL-GFCCVEGCSA-N 1 0 210.321 2.109 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)[C@H]1CCOC1 ZINC000309022007 133453196 /nfs/dbraw/zinc/45/31/96/133453196.db2.gz VJUDIFSNPZULDQ-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1noc([C@@H](C)[N@@H+](C)C[C@H](C)CCC#N)n1 ZINC000602708534 349701813 /nfs/dbraw/zinc/70/18/13/349701813.db2.gz IVRBUJWUWKMMRM-NXEZZACHSA-N 1 0 236.319 2.311 20 30 BEEDRO CCCN1CC[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602712140 349704730 /nfs/dbraw/zinc/70/47/30/349704730.db2.gz AGAPAOAVSGNHER-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO CCC[N@H+](C[C@H](C)CCC#N)[C@H]1CCN(C)C1 ZINC000602700675 349696102 /nfs/dbraw/zinc/69/61/02/349696102.db2.gz NBMCLNGCAKHDKF-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)[C@H]1CCCOC1 ZINC000602700408 349696400 /nfs/dbraw/zinc/69/64/00/349696400.db2.gz UJQJKLGLOJFDGY-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602700352 349696443 /nfs/dbraw/zinc/69/64/43/349696443.db2.gz TVRWDOVUEKVEMG-ABXWRUBCSA-N 1 0 238.375 2.455 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CCCCC1)C1CC1 ZINC000602714494 349705578 /nfs/dbraw/zinc/70/55/78/349705578.db2.gz AKSIVNVNXUETLR-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1CCCCC ZINC000362960466 346908703 /nfs/dbraw/zinc/90/87/03/346908703.db2.gz NXISVEAFEQHTAS-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(O)CCC(C)CC1 ZINC000602716311 349707281 /nfs/dbraw/zinc/70/72/81/349707281.db2.gz SVGHJRILABXVGE-MOKVOYLWSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](CC(C)C)C(=O)OC ZINC000351852516 136257673 /nfs/dbraw/zinc/25/76/73/136257673.db2.gz AUZMHRVKZFCAMR-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO CN(Cc1ccc(C#N)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000053245245 1172019058 /nfs/dbraw/zinc/01/90/58/1172019058.db2.gz BJTPQKKLVIUPSK-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@@H](CNCCC#N)[N@H+](C)Cc1ccccc1 ZINC000307223913 259337631 /nfs/dbraw/zinc/33/76/31/259337631.db2.gz AJWBUJVWOIQRSM-ZDUSSCGKSA-N 1 0 231.343 2.010 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000602720821 349712943 /nfs/dbraw/zinc/71/29/43/349712943.db2.gz DYMHJVSHFZUQMW-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1[C@H](C)C[C@H]1C ZINC000584028113 342986216 /nfs/dbraw/zinc/98/62/16/342986216.db2.gz UOGAZHVCHDNOSN-UPJWGTAASA-N 1 0 238.375 2.282 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000351855068 136258467 /nfs/dbraw/zinc/25/84/67/136258467.db2.gz PFYKACVOELNVLC-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000602798118 349738611 /nfs/dbraw/zinc/73/86/11/349738611.db2.gz XXBNGGSBPXIPIP-AWEZNQCLSA-N 1 0 248.370 2.429 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000602798731 349739874 /nfs/dbraw/zinc/73/98/74/349739874.db2.gz GNSUMACZYGZYTK-QWHCGFSZSA-N 1 0 234.343 2.039 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCO[C@@H]1C)C1CC1 ZINC000602799628 349740565 /nfs/dbraw/zinc/74/05/65/349740565.db2.gz KGIZOVQJJUGKDX-UTUOFQBUSA-N 1 0 222.332 2.035 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602800694 349740883 /nfs/dbraw/zinc/74/08/83/349740883.db2.gz BPDQYZCKYIIFCO-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H]1F ZINC000602801976 349741929 /nfs/dbraw/zinc/74/19/29/349741929.db2.gz OCXJULIPNZLAPF-GHMZBOCLSA-N 1 0 210.296 2.360 20 30 BEEDRO N#CCC1(C[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000602803037 349742389 /nfs/dbraw/zinc/74/23/89/349742389.db2.gz VOXKHLIJGFZXGN-CQSZACIVSA-N 1 0 244.338 2.394 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H](n3ccnc3)C2)CC1 ZINC000602771259 349725816 /nfs/dbraw/zinc/72/58/16/349725816.db2.gz BBTHUDIFIFDOHF-CYBMUJFWSA-N 1 0 244.342 2.214 20 30 BEEDRO C[C@@H]1OCC[C@@H]1CN(CC#N)C1CCCC1 ZINC000602780814 349747413 /nfs/dbraw/zinc/74/74/13/349747413.db2.gz SEEKAUQBCCJHJD-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1[N@H+](CC2(CC#N)CC2)CCOC1(C)C ZINC000602782574 349748113 /nfs/dbraw/zinc/74/81/13/349748113.db2.gz DBKBRPVQAOSHOX-NSHDSACASA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOC3(CCCC3)C2)CC1 ZINC000602782570 349748354 /nfs/dbraw/zinc/74/83/54/349748354.db2.gz DAMVOPKHGCRPIG-UHFFFAOYSA-N 1 0 234.343 2.325 20 30 BEEDRO CC1(C)CO[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000602808630 349753388 /nfs/dbraw/zinc/75/33/88/349753388.db2.gz YJNSPUINRFMXOH-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO CC1(C)CO[C@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000602808632 349753681 /nfs/dbraw/zinc/75/36/81/349753681.db2.gz YJNSPUINRFMXOH-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@@H+]1CCC[C@]2(CCN(CC3(CC#N)CC3)C2)C1 ZINC000602831912 349768056 /nfs/dbraw/zinc/76/80/56/349768056.db2.gz LORAJZLHNYASBZ-HNNXBMFYSA-N 1 0 247.386 2.098 20 30 BEEDRO C[C@H]1CC[C@](CO)([N@H+](C)CC2(CC#N)CC2)C1 ZINC000602811576 349755451 /nfs/dbraw/zinc/75/54/51/349755451.db2.gz NBQLNSJPROZHMW-JSGCOSHPSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)[C@@H](C)O1 ZINC000602815379 349757911 /nfs/dbraw/zinc/75/79/11/349757911.db2.gz JZYSQOWCWCTKPL-IJLUTSLNSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602815431 349757919 /nfs/dbraw/zinc/75/79/19/349757919.db2.gz LUYVOACEAYGHQR-UPJWGTAASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602815430 349758045 /nfs/dbraw/zinc/75/80/45/349758045.db2.gz LUYVOACEAYGHQR-JHJVBQTASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602815429 349758073 /nfs/dbraw/zinc/75/80/73/349758073.db2.gz LUYVOACEAYGHQR-FRRDWIJNSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000602861973 349773455 /nfs/dbraw/zinc/77/34/55/349773455.db2.gz JXQBRKXDRAXFMT-JTQLQIEISA-N 1 0 249.289 2.046 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000329800321 136263126 /nfs/dbraw/zinc/26/31/26/136263126.db2.gz IJDUXZCTDZPOIO-ZYHUDNBSSA-N 1 0 247.342 2.119 20 30 BEEDRO CCC[C@]1(CO)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602832635 349769028 /nfs/dbraw/zinc/76/90/28/349769028.db2.gz LVIBWYXUYBCHAQ-AWEZNQCLSA-N 1 0 236.359 2.165 20 30 BEEDRO C[C@H]1OCC[C@H]1C[NH+]1CCC(C)(C#N)CC1 ZINC000602807218 349770969 /nfs/dbraw/zinc/77/09/69/349770969.db2.gz QXRKDGPRRUUVIK-NEPJUHHUSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1C[NH+]([C@@H]2C=CCCC2)C[C@@H](C)N1CC#N ZINC000602858397 349789238 /nfs/dbraw/zinc/78/92/38/349789238.db2.gz RQMIZZIKWWXNGG-MGPQQGTHSA-N 1 0 233.359 2.013 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000304387254 187224289 /nfs/dbraw/zinc/22/42/89/187224289.db2.gz ZYAZDOWRTRMKDD-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000602878925 349790967 /nfs/dbraw/zinc/79/09/67/349790967.db2.gz CPKPUNNPLDNCHN-LBPRGKRZSA-N 1 0 218.304 2.240 20 30 BEEDRO CCC(CC)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851250 349786289 /nfs/dbraw/zinc/78/62/89/349786289.db2.gz VNOOQVFMZPQDHX-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO CC#CC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651508 344025311 /nfs/dbraw/zinc/02/53/11/344025311.db2.gz VHSVLTYTFKVQNQ-AOOOYVTPSA-N 1 0 201.260 2.233 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CCC(=O)NC1)c1ccco1 ZINC000353406015 136265293 /nfs/dbraw/zinc/26/52/93/136265293.db2.gz SZYNRHFCEGQDCX-NWDGAFQWSA-N 1 0 248.326 2.155 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2cccs2)n1 ZINC000336693917 187230993 /nfs/dbraw/zinc/23/09/93/187230993.db2.gz YFIKPOYSFPWADV-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO CSC[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000379358529 343097604 /nfs/dbraw/zinc/09/76/04/343097604.db2.gz VPXMKKWLYRDTIR-NXEZZACHSA-N 1 0 200.351 2.267 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@H](C)C(C)C ZINC000061758707 343118429 /nfs/dbraw/zinc/11/84/29/343118429.db2.gz RKCBTMRKJKFUJR-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000068830052 343118861 /nfs/dbraw/zinc/11/88/61/343118861.db2.gz VQNUFAJKOVJWFB-UHFFFAOYSA-N 1 0 219.332 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000222318417 343120944 /nfs/dbraw/zinc/12/09/44/343120944.db2.gz QJQJGARYMFSHEO-CQSZACIVSA-N 1 0 219.328 2.446 20 30 BEEDRO C=CCCCCn1cc(C(C)(C)[NH2+]C)nn1 ZINC000640939171 362076579 /nfs/dbraw/zinc/07/65/79/362076579.db2.gz KQYXTSOVOIAKBA-UHFFFAOYSA-N 1 0 222.336 2.089 20 30 BEEDRO C=CCCCCn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000640939231 362077143 /nfs/dbraw/zinc/07/71/43/362077143.db2.gz MDDPUWMKBCUPDK-LBPRGKRZSA-N 1 0 222.336 2.290 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)CCc1ccco1 ZINC000049566335 343112487 /nfs/dbraw/zinc/11/24/87/343112487.db2.gz UNLFGNGGOUNXEX-WDEREUQCSA-N 1 0 206.289 2.350 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)CCc1ccco1 ZINC000049566333 343112712 /nfs/dbraw/zinc/11/27/12/343112712.db2.gz UNLFGNGGOUNXEX-QWRGUYRKSA-N 1 0 206.289 2.350 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000305063503 136269632 /nfs/dbraw/zinc/26/96/32/136269632.db2.gz QRFHXFVKKOIBDQ-VXGBXAGGSA-N 1 0 221.300 2.354 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000265330159 187235188 /nfs/dbraw/zinc/23/51/88/187235188.db2.gz VSOVOQOQMXPTHC-TZMCWYRMSA-N 1 0 246.354 2.370 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)NCc1ccc(C#N)cc1 ZINC000353159540 187233090 /nfs/dbraw/zinc/23/30/90/187233090.db2.gz ZETGSZGMFHKPCO-ZDUSSCGKSA-N 1 0 245.370 2.377 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccccc1 ZINC000266919919 187235960 /nfs/dbraw/zinc/23/59/60/187235960.db2.gz LNVWJBWNYWDZIZ-UHFFFAOYSA-N 1 0 203.285 2.021 20 30 BEEDRO C#CC[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000271433155 187236815 /nfs/dbraw/zinc/23/68/15/187236815.db2.gz DKMMRTGKHGWZGO-INIZCTEOSA-N 1 0 242.366 2.435 20 30 BEEDRO C[C@H]([N@H+](C)CCOCCC#N)C1(C)CC1 ZINC000339017906 136271169 /nfs/dbraw/zinc/27/11/69/136271169.db2.gz SMPAWYRISPVZRF-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO N#Cc1ccc(OCC[NH2+]Cc2cc[nH]c2)cc1 ZINC000175713528 343128958 /nfs/dbraw/zinc/12/89/58/343128958.db2.gz WOMDBWSHJTVQIH-UHFFFAOYSA-N 1 0 241.294 2.055 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000278815151 187240372 /nfs/dbraw/zinc/24/03/72/187240372.db2.gz BJTUALVWLVLHAA-NWDGAFQWSA-N 1 0 217.312 2.181 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000363384555 136273087 /nfs/dbraw/zinc/27/30/87/136273087.db2.gz MCSKMLYXGWVODH-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@H](OC)c1ccccc1 ZINC000279151316 187241179 /nfs/dbraw/zinc/24/11/79/187241179.db2.gz AQDNIFOJYDXJLP-YUELXQCFSA-N 1 0 249.354 2.289 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000366446498 136280784 /nfs/dbraw/zinc/28/07/84/136280784.db2.gz SVAMMCCXLIAPSZ-AWEZNQCLSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C2CC2)CC1 ZINC000366446499 136280826 /nfs/dbraw/zinc/28/08/26/136280826.db2.gz SVAMMCCXLIAPSZ-CQSZACIVSA-N 1 0 223.360 2.436 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1COC ZINC000264096016 136281351 /nfs/dbraw/zinc/28/13/51/136281351.db2.gz MSBVCRASAATRBY-LLVKDONJSA-N 1 0 249.358 2.036 20 30 BEEDRO C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCC#N ZINC000273012851 136283019 /nfs/dbraw/zinc/28/30/19/136283019.db2.gz CIOIUKXCLZTMHA-GFCCVEGCSA-N 1 0 245.326 2.297 20 30 BEEDRO N#CCCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000273060732 136283488 /nfs/dbraw/zinc/28/34/88/136283488.db2.gz MIHYUHIDWVMOGY-UHFFFAOYSA-N 1 0 248.717 2.381 20 30 BEEDRO CCOC[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339009768 136279691 /nfs/dbraw/zinc/27/96/91/136279691.db2.gz IVKREVZJIQXPPX-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](CCOCC1CC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339011247 136279792 /nfs/dbraw/zinc/27/97/92/136279792.db2.gz CQJPMXINTQECFH-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO CCOC[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339009767 136279812 /nfs/dbraw/zinc/27/98/12/136279812.db2.gz IVKREVZJIQXPPX-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1c2ccccc2C[N@H+]1CCOCCC#N ZINC000339012947 136280095 /nfs/dbraw/zinc/28/00/95/136280095.db2.gz XZAKIVVLJGYFFM-GFCCVEGCSA-N 1 0 230.311 2.493 20 30 BEEDRO C[N@H+](CCOCC1CC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339011245 136280183 /nfs/dbraw/zinc/28/01/83/136280183.db2.gz CQJPMXINTQECFH-OLZOCXBDSA-N 1 0 222.332 2.037 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)[nH]n1 ZINC000608982511 343251911 /nfs/dbraw/zinc/25/19/11/343251911.db2.gz OYPKPABUQPDCHK-NSHDSACASA-N 1 0 240.310 2.441 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@H]1C ZINC000339112873 136280473 /nfs/dbraw/zinc/28/04/73/136280473.db2.gz WEWMUHWNQFEQKH-FDYHWXHSSA-N 1 0 222.332 2.035 20 30 BEEDRO CCSc1cccc(CNC(NC)=[NH+]C)c1 ZINC000291932774 136289017 /nfs/dbraw/zinc/28/90/17/136289017.db2.gz OQMDVBHSRNYEDT-UHFFFAOYSA-N 1 0 237.372 2.093 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000119647277 136292053 /nfs/dbraw/zinc/29/20/53/136292053.db2.gz KVAYLLFUBVPOBH-UHFFFAOYSA-N 1 0 231.343 2.348 20 30 BEEDRO CO[C@@H](CO[NH+]=C(N)C(C)C)c1ccccc1 ZINC000283362677 136286751 /nfs/dbraw/zinc/28/67/51/136286751.db2.gz LKXKYLDSSWKVQD-LBPRGKRZSA-N 1 0 236.315 2.319 20 30 BEEDRO CN1CC[C@H]([NH2+]CCCC#N)[C@@H]1c1ccccc1 ZINC000284227658 136287101 /nfs/dbraw/zinc/28/71/01/136287101.db2.gz KCBGBNJTDBKBEU-GJZGRUSLSA-N 1 0 243.354 2.325 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000580035601 343281577 /nfs/dbraw/zinc/28/15/77/343281577.db2.gz SYLIAJRPJGFXJV-CQSZACIVSA-N 1 0 238.375 2.143 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1Cl)C1CC(O)C1 ZINC000353495049 136287562 /nfs/dbraw/zinc/28/75/62/136287562.db2.gz ZTHSKORGMCSIML-UHFFFAOYSA-N 1 0 249.741 2.147 20 30 BEEDRO CCC[N@@H+]1CCC[C@H]1CNc1cccc(C#N)n1 ZINC000343992554 343320490 /nfs/dbraw/zinc/32/04/90/343320490.db2.gz YMGNUXOKJDDSAV-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000165416059 343292430 /nfs/dbraw/zinc/29/24/30/343292430.db2.gz MLLLXGYFXZOLRB-SWLSCSKDSA-N 1 0 244.338 2.381 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC23CC3)s1 ZINC000335285844 136292949 /nfs/dbraw/zinc/29/29/49/136292949.db2.gz JCVXOYJWDMHJRV-SNVBAGLBSA-N 1 0 204.298 2.262 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](CC)C[C@@H](C)O ZINC000348742884 136295504 /nfs/dbraw/zinc/29/55/04/136295504.db2.gz WKUMGLJARWULOZ-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(C#N)s1 ZINC000343906230 343316637 /nfs/dbraw/zinc/31/66/37/343316637.db2.gz DDNOGSCLKRPQIW-UHFFFAOYSA-N 1 0 246.339 2.250 20 30 BEEDRO CCC[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344122253 343343891 /nfs/dbraw/zinc/34/38/91/343343891.db2.gz QIZKONDSQKYAPV-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CCOC[C@H]1C ZINC000165441713 343349908 /nfs/dbraw/zinc/34/99/08/343349908.db2.gz NMAVDQHNSRBOPJ-GFCCVEGCSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@H]1CO ZINC000165448351 343350809 /nfs/dbraw/zinc/35/08/09/343350809.db2.gz TWGAATPLJFIPFP-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO CCC[N@H+](CCO)Cc1ccc(C#N)cc1C ZINC000165452026 343352863 /nfs/dbraw/zinc/35/28/63/343352863.db2.gz YIXPGMBNCDSZIE-UHFFFAOYSA-N 1 0 232.327 2.071 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCO1)CC2 ZINC000335674776 136317799 /nfs/dbraw/zinc/31/77/99/136317799.db2.gz TYAWVUMLRHOQFZ-ZFWWWQNUSA-N 1 0 242.322 2.314 20 30 BEEDRO CC1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000335654205 136306213 /nfs/dbraw/zinc/30/62/13/136306213.db2.gz BYDJBCHNPLTODH-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335829923 344030301 /nfs/dbraw/zinc/03/03/01/344030301.db2.gz SOKPJIMZBFNSSV-CYBMUJFWSA-N 1 0 231.343 2.375 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCOCC(F)(F)F ZINC000569938381 323044858 /nfs/dbraw/zinc/04/48/58/323044858.db2.gz ZEGDZYCHAYRMGC-SECBINFHSA-N 1 0 238.253 2.237 20 30 BEEDRO CN(Cc1cc[nH]n1)Cc1ccc(F)c(C#N)c1 ZINC000344341989 343396858 /nfs/dbraw/zinc/39/68/58/343396858.db2.gz AOGFSWCMMGMWPI-UHFFFAOYSA-N 1 0 244.273 2.052 20 30 BEEDRO C#CCC[NH+]1CCN(Cc2cccc(C)c2)CC1 ZINC000299223358 343398465 /nfs/dbraw/zinc/39/84/65/343398465.db2.gz MCBCEFINZIIXQT-UHFFFAOYSA-N 1 0 242.366 2.136 20 30 BEEDRO C=CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909736 349807753 /nfs/dbraw/zinc/80/77/53/349807753.db2.gz MWZHTRXWWSDBBO-UHFFFAOYSA-N 1 0 227.311 2.319 20 30 BEEDRO Cc1cccc(C[NH2+]C2CCN(CC#N)CC2)c1 ZINC000609334957 343419018 /nfs/dbraw/zinc/41/90/18/343419018.db2.gz MXFKBRBVESEERB-UHFFFAOYSA-N 1 0 243.354 2.073 20 30 BEEDRO Cc1ccccc1C[NH2+]C1CCN(CC#N)CC1 ZINC000609334991 343419131 /nfs/dbraw/zinc/41/91/31/343419131.db2.gz OHNGIPDQFFOMFS-UHFFFAOYSA-N 1 0 243.354 2.073 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000349345771 136342917 /nfs/dbraw/zinc/34/29/17/136342917.db2.gz WMRZYBGACIFVOB-BNOWGMLFSA-N 1 0 229.327 2.294 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCN1CCCOCC1 ZINC000349386337 136344171 /nfs/dbraw/zinc/34/41/71/136344171.db2.gz RSTXRCDNQKIEJU-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CC[NH2+]CCN(CC)Cc1ccccc1 ZINC000053374825 1172027205 /nfs/dbraw/zinc/02/72/05/1172027205.db2.gz NTDDZRLMEZJINI-UHFFFAOYSA-N 1 0 218.344 2.284 20 30 BEEDRO C[C@H]1C[NH+](Cc2cc(C#N)n(C)c2)C[C@H](C)S1 ZINC000335710633 136337543 /nfs/dbraw/zinc/33/75/43/136337543.db2.gz WTIUWWHJAIHXDM-QWRGUYRKSA-N 1 0 249.383 2.223 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000165475315 343434566 /nfs/dbraw/zinc/43/45/66/343434566.db2.gz FYSQLMNKGZZBPI-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1(C)C ZINC000349310914 136340756 /nfs/dbraw/zinc/34/07/56/136340756.db2.gz IJEDNPTWEJVAHY-OWTLIXCDSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@@]1([NH2+]CCCCC#N)CCO[C@@H]1C1CC1 ZINC000374631723 136354193 /nfs/dbraw/zinc/35/41/93/136354193.db2.gz OOMWZHRGAYJHDG-CHWSQXEVSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)C[N@H+](C)CC[S@](=O)c1ccccc1 ZINC000351064287 136366894 /nfs/dbraw/zinc/36/68/94/136366894.db2.gz NZRYLNHCNIKRRC-INIZCTEOSA-N 1 0 237.368 2.302 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1OC ZINC000351605736 136370152 /nfs/dbraw/zinc/37/01/52/136370152.db2.gz QPCYXFNGUIFKJE-PIZKADEWSA-N 1 0 247.338 2.235 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(CCC)c1 ZINC000289841997 136375573 /nfs/dbraw/zinc/37/55/73/136375573.db2.gz NFLPCDPGWACXTK-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)CC[C@H](C)O ZINC000165508027 343531592 /nfs/dbraw/zinc/53/15/92/343531592.db2.gz RMFRLUYXIUNFES-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](CCCCC#N)C1 ZINC000394526072 259363817 /nfs/dbraw/zinc/36/38/17/259363817.db2.gz YBEMCKBFXXNEPT-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)s1)[C@H]1CCCOC1 ZINC000335869924 344035516 /nfs/dbraw/zinc/03/55/16/344035516.db2.gz CQPNEVUQIVUTAB-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO CC1([NH+]2CCCC2)CCN(CCCC#N)CC1 ZINC000602950042 349821323 /nfs/dbraw/zinc/82/13/23/349821323.db2.gz HRQFRYVPRNSSRP-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)c(C)n2)C1 ZINC000311040695 343626668 /nfs/dbraw/zinc/62/66/68/343626668.db2.gz RZXXWLDKZHNYBV-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2cnccc21 ZINC000320381355 537800296 /nfs/dbraw/zinc/80/02/96/537800296.db2.gz KWZIQYGEKPGFBP-CQSZACIVSA-N 1 0 242.322 2.261 20 30 BEEDRO C[C@H]1CSCC[N@@H+]1CC1(CC#N)CC1 ZINC000083862382 343679544 /nfs/dbraw/zinc/67/95/44/343679544.db2.gz IUTOIDGWYJHKBR-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000602981575 349832027 /nfs/dbraw/zinc/83/20/27/349832027.db2.gz GJFHFKHLCCMZKF-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO CCSCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602978839 349843063 /nfs/dbraw/zinc/84/30/63/349843063.db2.gz XIOLPJZIELNXML-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO CN(CC[C@H]1CCC[N@@H+]1C)[C@@H]1CCC[C@@H]1C#N ZINC000602979384 349843894 /nfs/dbraw/zinc/84/38/94/349843894.db2.gz CSEPPWYENQNUOQ-MGPQQGTHSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCC(C)C)C1CC1 ZINC000338776006 343688825 /nfs/dbraw/zinc/68/88/25/343688825.db2.gz JDLIYLMBWWGBGY-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340305989 343708626 /nfs/dbraw/zinc/70/86/26/343708626.db2.gz NGCMEKMXNDURNK-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO COC(C)(C)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602979216 349844318 /nfs/dbraw/zinc/84/43/18/349844318.db2.gz BEIGCLKGBOJDTD-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)Cn1cccn1 ZINC000340429127 343714057 /nfs/dbraw/zinc/71/40/57/343714057.db2.gz GMTHCNVQUWHUEN-GFCCVEGCSA-N 1 0 221.348 2.464 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccnc1 ZINC000380274502 343716607 /nfs/dbraw/zinc/71/66/07/343716607.db2.gz XHWSNSPSZQGTAP-NSHDSACASA-N 1 0 203.289 2.111 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(C)(F)CC1 ZINC000602993029 349848098 /nfs/dbraw/zinc/84/80/98/349848098.db2.gz NQKDZEMLWTZMEU-NSHDSACASA-N 1 0 242.338 2.111 20 30 BEEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000309122585 346968955 /nfs/dbraw/zinc/96/89/55/346968955.db2.gz PORANAURLPLGGW-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000187887547 259370292 /nfs/dbraw/zinc/37/02/92/259370292.db2.gz JSNUHBWRNNOODY-VOAKCMCISA-N 1 0 211.349 2.480 20 30 BEEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)C1CCC1 ZINC000309079454 349855272 /nfs/dbraw/zinc/85/52/72/349855272.db2.gz NVFLOXNXACAOEB-MRVPVSSYSA-N 1 0 221.329 2.293 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000625699679 344038618 /nfs/dbraw/zinc/03/86/18/344038618.db2.gz CKFCVPPCVLBXBE-CYBMUJFWSA-N 1 0 233.359 2.435 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC000625699493 344038968 /nfs/dbraw/zinc/03/89/68/344038968.db2.gz FOFQXYOOVUAEGN-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC000625701509 344039048 /nfs/dbraw/zinc/03/90/48/344039048.db2.gz SIECKBMOABBNFW-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000625700014 344039740 /nfs/dbraw/zinc/03/97/40/344039740.db2.gz GTZFITCJGPAQAG-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CC=C)C1 ZINC000625701221 344041537 /nfs/dbraw/zinc/04/15/37/344041537.db2.gz PHOJVYHIZGDGQR-OLZOCXBDSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)NCCCC)C1 ZINC000625700546 344040586 /nfs/dbraw/zinc/04/05/86/344040586.db2.gz KCWYREDSJNPKRJ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC000625701032 344041090 /nfs/dbraw/zinc/04/10/90/344041090.db2.gz GLOVEWQFQMDOOK-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000334250688 343850608 /nfs/dbraw/zinc/85/06/08/343850608.db2.gz HWUHNOZXWCDGJL-CQSZACIVSA-N 1 0 244.338 2.294 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCOC2CCCC2)n1 ZINC000602527329 343891657 /nfs/dbraw/zinc/89/16/57/343891657.db2.gz KICVFVJPNHRYPG-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602520522 343891803 /nfs/dbraw/zinc/89/18/03/343891803.db2.gz HHIDDFIVPDODOW-QWRGUYRKSA-N 1 0 217.316 2.477 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCCO[C@H](CF)C2)c1 ZINC000334646564 343896524 /nfs/dbraw/zinc/89/65/24/343896524.db2.gz LRPJWAYQNHTHCN-CQSZACIVSA-N 1 0 248.301 2.119 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CC(C)C)cc1 ZINC000045944680 166198460 /nfs/dbraw/zinc/19/84/60/166198460.db2.gz UCGYVTPTLYHVMV-UHFFFAOYSA-N 1 0 217.312 2.444 20 30 BEEDRO Cc1nnsc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000293778018 343938157 /nfs/dbraw/zinc/93/81/57/343938157.db2.gz TUNDLPWUXAJNSP-NXEZZACHSA-N 1 0 236.344 2.019 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(F)ccc1OC ZINC000309272690 347014794 /nfs/dbraw/zinc/01/47/94/347014794.db2.gz RKMBAVHLDRULAC-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000634725356 343946552 /nfs/dbraw/zinc/94/65/52/343946552.db2.gz PQMQHVRXJZGAHS-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000128604627 349896159 /nfs/dbraw/zinc/89/61/59/349896159.db2.gz ONIUIIQHDCPLLM-OAHLLOKOSA-N 1 0 246.354 2.424 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCC(=O)OC(C)(C)C ZINC000393774623 343926870 /nfs/dbraw/zinc/92/68/70/343926870.db2.gz JGAWWCSZPLUSAN-JTQLQIEISA-N 1 0 226.320 2.000 20 30 BEEDRO C[C@@H]1[C@H](C)N(Cc2cccc(C#N)c2)CC[N@H+]1C ZINC000335132685 343928524 /nfs/dbraw/zinc/92/85/24/343928524.db2.gz TWOBLXLQWAYKRR-OLZOCXBDSA-N 1 0 243.354 2.083 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000313016023 343975317 /nfs/dbraw/zinc/97/53/17/343975317.db2.gz XNYYLVVRDTWDRX-ZDUSSCGKSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000625701463 344042079 /nfs/dbraw/zinc/04/20/79/344042079.db2.gz JXMNSYHLHSJBOL-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCC[C@H](C)n1cc(CCC[NH3+])nn1 ZINC000641232853 362284862 /nfs/dbraw/zinc/28/48/62/362284862.db2.gz ICQAETASMATNDT-NSHDSACASA-N 1 0 222.336 2.087 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641232364 362287154 /nfs/dbraw/zinc/28/71/54/362287154.db2.gz FKCXGQNFMNZKCU-OLZOCXBDSA-N 1 0 248.374 2.347 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000625702498 344046337 /nfs/dbraw/zinc/04/63/37/344046337.db2.gz GSFBXLTVBQAXAC-LBPRGKRZSA-N 1 0 232.327 2.106 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC000625702440 344046357 /nfs/dbraw/zinc/04/63/57/344046357.db2.gz GHJWCASUJKCAPN-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625787136 344074437 /nfs/dbraw/zinc/07/44/37/344074437.db2.gz WDQXHZQDVNBZHX-GJZGRUSLSA-N 1 0 246.354 2.449 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625787137 344074627 /nfs/dbraw/zinc/07/46/27/344074627.db2.gz WDQXHZQDVNBZHX-HUUCEWRRSA-N 1 0 246.354 2.449 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000625703214 344048025 /nfs/dbraw/zinc/04/80/25/344048025.db2.gz RKHNVOQWISUQIF-GFCCVEGCSA-N 1 0 231.343 2.227 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(OC)cn2)C1 ZINC000625703540 344048293 /nfs/dbraw/zinc/04/82/93/344048293.db2.gz LNDUSOIJHRMBPF-LBPRGKRZSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000625703345 344048324 /nfs/dbraw/zinc/04/83/24/344048324.db2.gz SJYCWSHUMITTNX-LBPRGKRZSA-N 1 0 246.358 2.012 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000625703898 344049141 /nfs/dbraw/zinc/04/91/41/344049141.db2.gz VMJUGDMPAOXOHE-LBPRGKRZSA-N 1 0 248.374 2.431 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000625704422 344049192 /nfs/dbraw/zinc/04/91/92/344049192.db2.gz SFOBOOXPVCXUME-NSHDSACASA-N 1 0 206.289 2.381 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348104960 537838625 /nfs/dbraw/zinc/83/86/25/537838625.db2.gz FJIGHEKYINQZIN-LSDHHAIUSA-N 1 0 234.387 2.415 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)nc(C)n2)C1 ZINC000625701853 344052343 /nfs/dbraw/zinc/05/23/43/344052343.db2.gz LSRNHIRAFXRGHX-ZDUSSCGKSA-N 1 0 231.343 2.491 20 30 BEEDRO COc1ccc(C[NH2+]CC2CCC2)cc1C#N ZINC000087822910 187286258 /nfs/dbraw/zinc/28/62/58/187286258.db2.gz DRWSWCUGPPFQMR-UHFFFAOYSA-N 1 0 230.311 2.457 20 30 BEEDRO Cn1cc(C[NH2+]C2CC(C)(C)C2)cc1C#N ZINC000395172495 344116862 /nfs/dbraw/zinc/11/68/62/344116862.db2.gz IFVWCJWEEZDVAA-UHFFFAOYSA-N 1 0 217.316 2.175 20 30 BEEDRO CC(C)[C@H]([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603260759 349902005 /nfs/dbraw/zinc/90/20/05/349902005.db2.gz PXMKIWQTEKXEHE-LBPRGKRZSA-N 1 0 249.362 2.264 20 30 BEEDRO C#CCSCC[NH2+]Cc1occc1C ZINC000164639607 166202618 /nfs/dbraw/zinc/20/26/18/166202618.db2.gz UCPKDFVATQBBHB-UHFFFAOYSA-N 1 0 209.314 2.044 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(F)c1F ZINC000164314130 166202721 /nfs/dbraw/zinc/20/27/21/166202721.db2.gz OZXRJOWLCSPHRU-UHFFFAOYSA-N 1 0 241.306 2.421 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cncs1 ZINC000130022876 344217916 /nfs/dbraw/zinc/21/79/16/344217916.db2.gz LCTBRFHICDNAHG-VIFPVBQESA-N 1 0 226.370 2.160 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000130437449 344221668 /nfs/dbraw/zinc/22/16/68/344221668.db2.gz JYUZCJRVFOUJAT-JTQLQIEISA-N 1 0 207.321 2.302 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnnn1C ZINC000131930709 344239912 /nfs/dbraw/zinc/23/99/12/344239912.db2.gz LXQIFTZDMOEATA-NSHDSACASA-N 1 0 222.336 2.040 20 30 BEEDRO C=CCCOCC[NH2+]Cc1scnc1C ZINC000126688443 344182716 /nfs/dbraw/zinc/18/27/16/344182716.db2.gz SFARBWXVBPSJQL-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000234692271 344204959 /nfs/dbraw/zinc/20/49/59/344204959.db2.gz OWWANWYCDCMMDR-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO COc1cc(C[NH2+]CC(C)(C)OC)ccc1C#N ZINC000234833483 344272770 /nfs/dbraw/zinc/27/27/70/344272770.db2.gz QDYMSCKPDYCAJG-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO CN(Cc1ccc(O)cc1)CC(C)(C)C#N ZINC000590373291 347043858 /nfs/dbraw/zinc/04/38/58/347043858.db2.gz URPBJERGEUBCIT-UHFFFAOYSA-N 1 0 218.300 2.374 20 30 BEEDRO CC1(C)CC(C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600733165 344364783 /nfs/dbraw/zinc/36/47/83/344364783.db2.gz HNWBSCJNIGBKEO-GFCCVEGCSA-N 1 0 236.359 2.067 20 30 BEEDRO C#CC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000271726314 166204813 /nfs/dbraw/zinc/20/48/13/166204813.db2.gz RCEGKHQZWPFWLC-CYBMUJFWSA-N 1 0 217.312 2.112 20 30 BEEDRO Cc1ccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)cc1 ZINC000600713095 344361805 /nfs/dbraw/zinc/36/18/05/344361805.db2.gz DQNHKEWMCSTUGC-CQSZACIVSA-N 1 0 244.338 2.139 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]C2CCC3(CC3)CC2)CC1 ZINC000600733989 344364499 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ZINC000381463820 344509397 /nfs/dbraw/zinc/50/93/97/344509397.db2.gz LYYWNSMLVBRBAJ-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000234891961 344448459 /nfs/dbraw/zinc/44/84/59/344448459.db2.gz SIPGGQUKGNRWRN-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381159091 344481263 /nfs/dbraw/zinc/48/12/63/344481263.db2.gz QXXANDAZLSMQSZ-FVCCEPFGSA-N 1 0 222.332 2.083 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000135498754 344484543 /nfs/dbraw/zinc/48/45/43/344484543.db2.gz UYENTMIDHSGEKZ-UHFFFAOYSA-N 1 0 224.329 2.134 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccccn2)CC1 ZINC000258633005 344491062 /nfs/dbraw/zinc/49/10/62/344491062.db2.gz DGXQHEAABJKTRK-UHFFFAOYSA-N 1 0 215.300 2.254 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cccnc2)CC1 ZINC000258756928 344498459 /nfs/dbraw/zinc/49/84/59/344498459.db2.gz OTPBVUSGDUCQPF-UHFFFAOYSA-N 1 0 215.300 2.254 20 30 BEEDRO C=CCC1([NH2+]CCCC(=O)NC)CCCCC1 ZINC000625934499 344574081 /nfs/dbraw/zinc/57/40/81/344574081.db2.gz PNSQVFYKEWOSSN-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC1([NH2+]CCC(=O)N(C)C)CCCCC1 ZINC000625934652 344574454 /nfs/dbraw/zinc/57/44/54/344574454.db2.gz VVHKBFXCWAYMNL-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000387514223 344553249 /nfs/dbraw/zinc/55/32/49/344553249.db2.gz ZCIBLFFNZKMHQE-RYUDHWBXSA-N 1 0 208.349 2.167 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccccc1N(C)C ZINC000491784172 259378101 /nfs/dbraw/zinc/37/81/01/259378101.db2.gz SBFKMVMCKVKJBT-LBPRGKRZSA-N 1 0 216.328 2.206 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000626006341 344665028 /nfs/dbraw/zinc/66/50/28/344665028.db2.gz WHTHKGWTVKWTPX-GFCCVEGCSA-N 1 0 215.312 2.403 20 30 BEEDRO C=C(CC)CN1CCO[C@@H](CCF)C1 ZINC000626004395 344666017 /nfs/dbraw/zinc/66/60/17/344666017.db2.gz GIGISPJJGQTCMP-NSHDSACASA-N 1 0 201.285 2.013 20 30 BEEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119850743 344631551 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488276703 /nfs/dbraw/zinc/27/67/03/488276703.db2.gz UBPUCKTWQQKXCZ-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc(O)c1 ZINC000120858754 344902465 /nfs/dbraw/zinc/90/24/65/344902465.db2.gz FGHLYLQRTAUGKF-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(CCOC)s1 ZINC000631148029 344924551 /nfs/dbraw/zinc/92/45/51/344924551.db2.gz BRYSDENQZCLJFX-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO C[C@H](NC[C@@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235523839 344931808 /nfs/dbraw/zinc/93/18/08/344931808.db2.gz ZCNJKIYPGNRKOO-WFASDCNBSA-N 1 0 243.354 2.351 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153644985 344938458 /nfs/dbraw/zinc/93/84/58/344938458.db2.gz GLLDOFQRUOEHIE-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000234796852 537875507 /nfs/dbraw/zinc/87/55/07/537875507.db2.gz BSMLWVFTKFUJBI-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCN(C)CC(=O)Nc1ccccc1C ZINC000121245959 344917714 /nfs/dbraw/zinc/91/77/14/344917714.db2.gz XCIFFCJBAYVLLR-UHFFFAOYSA-N 1 0 218.300 2.051 20 30 BEEDRO C=CC[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000121290157 344919362 /nfs/dbraw/zinc/91/93/62/344919362.db2.gz YTYZRVQRPOGPOF-UHFFFAOYSA-N 1 0 236.271 2.091 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000156646148 187296221 /nfs/dbraw/zinc/29/62/21/187296221.db2.gz BZASYUPJVPGKEL-GFCCVEGCSA-N 1 0 217.316 2.003 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@](F)(CO)C1 ZINC000338623773 534981156 /nfs/dbraw/zinc/98/11/56/534981156.db2.gz DAVHGCRDGZDEGP-CYBMUJFWSA-N 1 0 242.338 2.113 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291704507 534982922 /nfs/dbraw/zinc/98/29/22/534982922.db2.gz IEDMDRZOYQJOJN-ZDUSSCGKSA-N 1 0 246.358 2.460 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)C1 ZINC000574757767 344997448 /nfs/dbraw/zinc/99/74/48/344997448.db2.gz MLZQCNMYLLCBPU-AQNFWKISSA-N 1 0 248.370 2.065 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000336138853 534987963 /nfs/dbraw/zinc/98/79/63/534987963.db2.gz NURUXPQXJBSSIG-GFCCVEGCSA-N 1 0 236.359 2.306 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000336177450 534989008 /nfs/dbraw/zinc/98/90/08/534989008.db2.gz GBQPDUKUICNOGA-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156585321 345178273 /nfs/dbraw/zinc/17/82/73/345178273.db2.gz QIPSUWFEAMLEGK-GFCCVEGCSA-N 1 0 246.354 2.443 20 30 BEEDRO C=CCN(Cc1cccs1)CC12CC(C1)C[NH2+]2 ZINC000634991898 345179343 /nfs/dbraw/zinc/17/93/43/345179343.db2.gz VTZIMFHYBLYGEV-UHFFFAOYSA-N 1 0 248.395 2.488 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000227834878 534988648 /nfs/dbraw/zinc/98/86/48/534988648.db2.gz VFSBRHLQOMUWBD-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635065692 345237977 /nfs/dbraw/zinc/23/79/77/345237977.db2.gz MTYQPFBBBBOCIM-CQSZACIVSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC2(CC2)CC1 ZINC000626114458 345316768 /nfs/dbraw/zinc/31/67/68/345316768.db2.gz HPILXNZMGGOFMW-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC2(CC2)CC1 ZINC000626114459 345317189 /nfs/dbraw/zinc/31/71/89/345317189.db2.gz HPILXNZMGGOFMW-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@H](O)C1CC1 ZINC000618284597 345287702 /nfs/dbraw/zinc/28/77/02/345287702.db2.gz ZIEQQAMBZWGWNW-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO CC#CCC[NH2+]Cc1nc2ccccc2n1C ZINC000158352300 345323224 /nfs/dbraw/zinc/32/32/24/345323224.db2.gz OIWMESSUDFSOSA-UHFFFAOYSA-N 1 0 227.311 2.076 20 30 BEEDRO C=CCC[N@@H+](CCC(=O)OC)CC(C)C ZINC000132632992 345338749 /nfs/dbraw/zinc/33/87/49/345338749.db2.gz QMNIZPOWKVSVEJ-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CCCC#N)C[C@@H]1OC ZINC000184087736 323086891 /nfs/dbraw/zinc/08/68/91/323086891.db2.gz ZFRJUBAPGCMYFD-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(Cl)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158852104 345380856 /nfs/dbraw/zinc/38/08/56/345380856.db2.gz RSMQSPCFERATPQ-NEPJUHHUSA-N 1 0 228.767 2.155 20 30 BEEDRO C[C@@H](CC#N)N(C)Cc1ccc(C#N)s1 ZINC000132297297 345326205 /nfs/dbraw/zinc/32/62/05/345326205.db2.gz NSLIHGRZURRNII-VIFPVBQESA-N 1 0 219.313 2.354 20 30 BEEDRO C#CCCCC[NH2+][C@@H](CC)c1nccn1C ZINC000132313018 345326794 /nfs/dbraw/zinc/32/67/94/345326794.db2.gz SYSOWEBSSSGDQU-LBPRGKRZSA-N 1 0 219.332 2.264 20 30 BEEDRO C=C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635504425 345404551 /nfs/dbraw/zinc/40/45/51/345404551.db2.gz XZHXCSCPHWXDNN-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO COCC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111343 201812135 /nfs/dbraw/zinc/81/21/35/201812135.db2.gz LBYXRUHMKSDCPD-HIFPTAJRSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCCOCC1 ZINC000374302420 534995692 /nfs/dbraw/zinc/99/56/92/534995692.db2.gz OTPUGLNNHGAIMB-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC#CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000159510247 345438816 /nfs/dbraw/zinc/43/88/16/345438816.db2.gz LRGQYJDBFXSHLL-UHFFFAOYSA-N 1 0 222.376 2.064 20 30 BEEDRO COCC1CCC([NH2+]CCCCC#N)CC1 ZINC000449130051 201817247 /nfs/dbraw/zinc/81/72/47/201817247.db2.gz FQNIRGHACIFJAZ-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000354689419 534996274 /nfs/dbraw/zinc/99/62/74/534996274.db2.gz WNFVAMJIVYLCPD-ZDUSSCGKSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC#N)C[C@@H]1n1ccnc1 ZINC000136094383 345475507 /nfs/dbraw/zinc/47/55/07/345475507.db2.gz QGQGXFQNKHMABN-OLZOCXBDSA-N 1 0 232.331 2.070 20 30 BEEDRO CNC(=[NH2+])NCc1ccc(C)cc1OC(C)(C)C ZINC000084733865 345520660 /nfs/dbraw/zinc/52/06/60/345520660.db2.gz JYAOJESPBAVIOG-UHFFFAOYSA-N 1 0 249.358 2.206 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000091702638 345603468 /nfs/dbraw/zinc/60/34/68/345603468.db2.gz GQJKYXPHKFIERA-QWHCGFSZSA-N 1 0 234.343 2.402 20 30 BEEDRO CC[N@@H+]1CCN(Cc2ccc(C#N)s2)[C@@H](C)C1 ZINC000289938838 345613767 /nfs/dbraw/zinc/61/37/67/345613767.db2.gz YEDQYPFBDHSYGK-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO CCCNC(=[NH2+])NCC1(C)Cc2ccccc2C1 ZINC000093887462 345666728 /nfs/dbraw/zinc/66/67/28/345666728.db2.gz OKDSEMKXLKRWPX-UHFFFAOYSA-N 1 0 245.370 2.106 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641726996 362646338 /nfs/dbraw/zinc/64/63/38/362646338.db2.gz HMVWPKRYLJOWDX-SECBINFHSA-N 1 0 231.299 2.323 20 30 BEEDRO CC(C)C[C@H](CNc1cnccc1C#N)[NH+](C)C ZINC000094133725 345680718 /nfs/dbraw/zinc/68/07/18/345680718.db2.gz XUERPTZZLCPXNN-CYBMUJFWSA-N 1 0 246.358 2.341 20 30 BEEDRO COc1cc(C#N)ccc1O[C@@H]1CCC[N@H+](C)C1 ZINC000114017942 345755545 /nfs/dbraw/zinc/75/55/45/345755545.db2.gz QEQAMPDIAZFTLZ-GFCCVEGCSA-N 1 0 246.310 2.040 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000371138080 535007315 /nfs/dbraw/zinc/00/73/15/535007315.db2.gz DTODHVVYBSQGCR-GFCCVEGCSA-N 1 0 246.358 2.187 20 30 BEEDRO C=CC[N@H+]1CCc2ccc(OC)cc2CC1 ZINC000143901689 345707114 /nfs/dbraw/zinc/70/71/14/345707114.db2.gz MHTGTIHMTACYDP-UHFFFAOYSA-N 1 0 217.312 2.282 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000093279046 345787705 /nfs/dbraw/zinc/78/77/05/345787705.db2.gz QTRASPJNDIMIMI-LBPRGKRZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000070592294 345788615 /nfs/dbraw/zinc/78/86/15/345788615.db2.gz HIYRABJFEXXPKV-UHFFFAOYSA-N 1 0 206.245 2.261 20 30 BEEDRO CNC(=[NH2+])NCCCCc1ccc(Cl)s1 ZINC000284073551 133562569 /nfs/dbraw/zinc/56/25/69/133562569.db2.gz QRFWIPKSDBRZJP-UHFFFAOYSA-N 1 0 245.779 2.258 20 30 BEEDRO C=CC[NH+]1CCC(NCc2oc(C)nc2C)CC1 ZINC000628212158 345854074 /nfs/dbraw/zinc/85/40/74/345854074.db2.gz PABONRKGGFNINO-UHFFFAOYSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635574105 345828438 /nfs/dbraw/zinc/82/84/38/345828438.db2.gz AAOSFFCXQWZXMR-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635579042 345877496 /nfs/dbraw/zinc/87/74/96/345877496.db2.gz ZSUREWGYLMSVIA-DGCLKSJQSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000449297588 201860083 /nfs/dbraw/zinc/86/00/83/201860083.db2.gz DKKCAHQPXLFNJR-KSTCHIGDSA-N 1 0 239.359 2.123 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000400934296 345923372 /nfs/dbraw/zinc/92/33/72/345923372.db2.gz PVLSFBNFQYIFIJ-CHWSQXEVSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C(Br)C[NH2+]C[C@H]1C[C@H]1C ZINC000166925394 345953920 /nfs/dbraw/zinc/95/39/20/345953920.db2.gz HMUPKWLYMYUMHN-HTRCEHHLSA-N 1 0 204.111 2.141 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)O1 ZINC000449304915 201862597 /nfs/dbraw/zinc/86/25/97/201862597.db2.gz QFDDZKZLSXXSKW-TYNCELHUSA-N 1 0 244.338 2.256 20 30 BEEDRO CC[N@@H+]1CCCN(CC#Cc2ccccc2)CC1 ZINC000146247309 345964295 /nfs/dbraw/zinc/96/42/95/345964295.db2.gz MGJCYFGYKROENR-UHFFFAOYSA-N 1 0 242.366 2.066 20 30 BEEDRO CCOC1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000585726818 345982237 /nfs/dbraw/zinc/98/22/37/345982237.db2.gz RZLGOVFYRFGLIV-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000202357787 346030366 /nfs/dbraw/zinc/03/03/66/346030366.db2.gz LQQURLILLYOXKX-UHFFFAOYSA-N 1 0 249.329 2.381 20 30 BEEDRO C=CCCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635810277 346074301 /nfs/dbraw/zinc/07/43/01/346074301.db2.gz HPDNKTUCBIBTAJ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)OC ZINC000449376675 201892679 /nfs/dbraw/zinc/89/26/79/201892679.db2.gz MJSMMXIFJZWLBC-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635891155 346103337 /nfs/dbraw/zinc/10/33/37/346103337.db2.gz GKQUMOZUGCZCEO-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635960533 346133820 /nfs/dbraw/zinc/13/38/20/346133820.db2.gz SNVCFNAMCGMKOJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C)SCCNC(=[NH2+])NC1CCCC1 ZINC000261723825 535027762 /nfs/dbraw/zinc/02/77/62/535027762.db2.gz GFOVEQDDLKAQDJ-UHFFFAOYSA-N 1 0 243.420 2.365 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)COc1cccc(CC)c1 ZINC000161934901 487527283 /nfs/dbraw/zinc/52/72/83/487527283.db2.gz DMTAXZNBJBRUJP-AWEZNQCLSA-N 1 0 249.354 2.154 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449428468 201916657 /nfs/dbraw/zinc/91/66/57/201916657.db2.gz RECOCTAUJOPESO-AGIUHOORSA-N 1 0 224.348 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(SCC)c1 ZINC000289683890 346260021 /nfs/dbraw/zinc/26/00/21/346260021.db2.gz COGRLWRFFRLOQB-GFCCVEGCSA-N 1 0 237.368 2.435 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641758176 362688027 /nfs/dbraw/zinc/68/80/27/362688027.db2.gz JSWSBLGPEQYIQP-UHFFFAOYSA-N 1 0 231.299 2.324 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccncc1N ZINC000603429190 349950528 /nfs/dbraw/zinc/95/05/28/349950528.db2.gz MWUZGIOMPHRBCN-UHFFFAOYSA-N 1 0 232.331 2.083 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(SC)o1 ZINC000641760840 362692640 /nfs/dbraw/zinc/69/26/40/362692640.db2.gz XGZQIFLZWCXWDJ-JTQLQIEISA-N 1 0 241.356 2.418 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccsc1Cl ZINC000641767426 362700231 /nfs/dbraw/zinc/70/02/31/362700231.db2.gz KUEOQFNAKTZWQH-SNVBAGLBSA-N 1 0 243.759 2.265 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000641767847 362702500 /nfs/dbraw/zinc/70/25/00/362702500.db2.gz RKXVIUULDFTZCJ-AWEZNQCLSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1sccc1Cl ZINC000641767514 362702557 /nfs/dbraw/zinc/70/25/57/362702557.db2.gz LMYVWQFVAMBSLG-VIFPVBQESA-N 1 0 243.759 2.265 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1sccc1Cl ZINC000641767513 362702893 /nfs/dbraw/zinc/70/28/93/362702893.db2.gz LMYVWQFVAMBSLG-SECBINFHSA-N 1 0 243.759 2.265 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cccc2[nH]ccc21 ZINC000641769671 362704585 /nfs/dbraw/zinc/70/45/85/362704585.db2.gz XTSSBVXDNSSGQH-CYBMUJFWSA-N 1 0 242.322 2.032 20 30 BEEDRO CCC[N@H+](CC)Cc1cncc(C#N)c1 ZINC000669378762 537973655 /nfs/dbraw/zinc/97/36/55/537973655.db2.gz LVKLJTXKMMDVFM-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO CC[C@H](CC#N)NCC[NH+]1CCC(C)CC1 ZINC000563366290 323121505 /nfs/dbraw/zinc/12/15/05/323121505.db2.gz HRPAEAPPKMLHFJ-CYBMUJFWSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CC(C(C)C)C(C)C ZINC000380164840 346383697 /nfs/dbraw/zinc/38/36/97/346383697.db2.gz CEEMKWSRLIATHA-LBPRGKRZSA-N 1 0 213.365 2.441 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000669378967 537975682 /nfs/dbraw/zinc/97/56/82/537975682.db2.gz QOZWRAFIQRZVFH-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO CC(C)C[C@H]([NH3+])c1noc(CC(C)(C)C#N)n1 ZINC000574916468 346412709 /nfs/dbraw/zinc/41/27/09/346412709.db2.gz RMICATJLISXUES-VIFPVBQESA-N 1 0 236.319 2.208 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000574924481 346414551 /nfs/dbraw/zinc/41/45/51/346414551.db2.gz PJZZLYQHVGPDIM-ZDUSSCGKSA-N 1 0 215.300 2.328 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000170692879 346435304 /nfs/dbraw/zinc/43/53/04/346435304.db2.gz LURFJRFKFPXINC-UHFFFAOYSA-N 1 0 233.311 2.077 20 30 BEEDRO COc1ccc([C@@H](CCO)[NH2+]CCCC#N)cc1 ZINC000182411316 347095237 /nfs/dbraw/zinc/09/52/37/347095237.db2.gz KLOCZJIESLLIJA-CQSZACIVSA-N 1 0 248.326 2.012 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ncccn1 ZINC000580096624 346521875 /nfs/dbraw/zinc/52/18/75/346521875.db2.gz LCDFCTJMSQUIGN-GHMZBOCLSA-N 1 0 205.305 2.167 20 30 BEEDRO COC[C@@H](C)CN(CC#N)C1CCCC1 ZINC000187346735 346570684 /nfs/dbraw/zinc/57/06/84/346570684.db2.gz VGLLWMGROQUMBL-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000580641171 365840455 /nfs/dbraw/zinc/84/04/55/365840455.db2.gz MRFCSCGUKRKVEB-LBPRGKRZSA-N 1 0 247.317 2.155 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)CSC ZINC000580182953 346625945 /nfs/dbraw/zinc/62/59/45/346625945.db2.gz MJSOSLAZVMPPES-QWRGUYRKSA-N 1 0 217.378 2.045 20 30 BEEDRO CC1(C)C[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000580185851 346634179 /nfs/dbraw/zinc/63/41/79/346634179.db2.gz YQDWNEWZFMBEPZ-QWRGUYRKSA-N 1 0 205.305 2.066 20 30 BEEDRO C=CCCC[N@@H+]1CCc2ncccc2C1 ZINC000039285489 346713204 /nfs/dbraw/zinc/71/32/04/346713204.db2.gz QLMGTKIQPNJTTF-UHFFFAOYSA-N 1 0 202.301 2.406 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)C(C)C ZINC000380070629 365849777 /nfs/dbraw/zinc/84/97/77/365849777.db2.gz DDLUTMLGKHAXEB-UPJWGTAASA-N 1 0 209.333 2.049 20 30 BEEDRO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000589344024 346690694 /nfs/dbraw/zinc/69/06/94/346690694.db2.gz MREPTWJNWPDLHM-MJBXVCDLSA-N 1 0 237.391 2.387 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(C)O ZINC000589342968 346690962 /nfs/dbraw/zinc/69/09/62/346690962.db2.gz XYHMNMWVMXMJCT-IINYFYTJSA-N 1 0 244.338 2.295 20 30 BEEDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000589350738 346693676 /nfs/dbraw/zinc/69/36/76/346693676.db2.gz MSMDZAXQPCJCRU-MCIONIFRSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cccc(O)c1 ZINC000181576188 346756019 /nfs/dbraw/zinc/75/60/19/346756019.db2.gz YUMLDCSWUNAMDA-SNVBAGLBSA-N 1 0 204.273 2.347 20 30 BEEDRO CN1C[C@@H]2CC[N@H+](CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000590010429 346762977 /nfs/dbraw/zinc/76/29/77/346762977.db2.gz IBLRBWUTGBXTFP-UONOGXRCSA-N 1 0 249.402 2.342 20 30 BEEDRO C[NH+](C)CCCOc1cccc(NCCC#N)c1 ZINC000563004561 346774013 /nfs/dbraw/zinc/77/40/13/346774013.db2.gz JNEAXZVTAXEQSE-UHFFFAOYSA-N 1 0 247.342 2.343 20 30 BEEDRO Cc1ccc(C[N@H+](CCOCCC#N)C2CC2)o1 ZINC000590154278 346781121 /nfs/dbraw/zinc/78/11/21/346781121.db2.gz XNRBBSVZKRDKRK-UHFFFAOYSA-N 1 0 248.326 2.483 20 30 BEEDRO CO[C@@H]1C[N@H+](C[C@H](C)CCC#N)CC[C@H]1C ZINC000589822203 346739432 /nfs/dbraw/zinc/73/94/32/346739432.db2.gz KRAGXVKGGQYQLD-JHJVBQTASA-N 1 0 224.348 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc2c(s1)CCC2 ZINC000309579475 347108152 /nfs/dbraw/zinc/10/81/52/347108152.db2.gz PZJRCEKPMOUESH-GXSJLCMTSA-N 1 0 237.368 2.434 20 30 BEEDRO CCOC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000590155821 346781807 /nfs/dbraw/zinc/78/18/07/346781807.db2.gz BONRUGBANMMELR-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C)C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000590161660 346784797 /nfs/dbraw/zinc/78/47/97/346784797.db2.gz BWALVPMWPNQSLK-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000345355511 365862858 /nfs/dbraw/zinc/86/28/58/365862858.db2.gz MGOPUXWSGAVWMM-GHMZBOCLSA-N 1 0 205.305 2.445 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000116926706 347141882 /nfs/dbraw/zinc/14/18/82/347141882.db2.gz FVHILOSRDHKAGS-MRVPVSSYSA-N 1 0 227.739 2.436 20 30 BEEDRO N#CCC[NH2+]CCc1cccc2[nH]ccc21 ZINC000582058542 347153221 /nfs/dbraw/zinc/15/32/21/347153221.db2.gz KGVNBWOPYBZXKF-UHFFFAOYSA-N 1 0 213.284 2.214 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000601289602 347155957 /nfs/dbraw/zinc/15/59/57/347155957.db2.gz PVZLOAOZWKJKDM-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000309784184 347162998 /nfs/dbraw/zinc/16/29/98/347162998.db2.gz NQKKNTBNBZVCTQ-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000582043861 347125178 /nfs/dbraw/zinc/12/51/78/347125178.db2.gz OFBOBNCLFGXGCV-CQSZACIVSA-N 1 0 239.359 2.224 20 30 BEEDRO COC1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000309661667 347130847 /nfs/dbraw/zinc/13/08/47/347130847.db2.gz RODHFUKAWPTKEB-QCXCNERSSA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000185757050 347213118 /nfs/dbraw/zinc/21/31/18/347213118.db2.gz AAZGCOIJDHZZIQ-NWANDNLSSA-N 1 0 244.338 2.392 20 30 BEEDRO CC1(C)CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000601315456 347195768 /nfs/dbraw/zinc/19/57/68/347195768.db2.gz KDHSVJJMUXLOCS-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1([S@](C)=O)CC1)C1CC1 ZINC000309905089 347198764 /nfs/dbraw/zinc/19/87/64/347198764.db2.gz JUTFCVBFPDBETI-WBMJQRKESA-N 1 0 241.400 2.232 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336751492 347202974 /nfs/dbraw/zinc/20/29/74/347202974.db2.gz GJSNIADKQZDSGP-AGIUHOORSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1nc(CCC)cs1 ZINC000309982163 347209720 /nfs/dbraw/zinc/20/97/20/347209720.db2.gz WOVJLWUIEICUTI-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309989906 347209758 /nfs/dbraw/zinc/20/97/58/347209758.db2.gz ZTXRQOADVPTXHY-SDDRHHMPSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H](C)O1 ZINC000601298067 347174118 /nfs/dbraw/zinc/17/41/18/347174118.db2.gz DADHDMKXWVPLRZ-LBELIVKGSA-N 1 0 222.332 2.224 20 30 BEEDRO CCCCOCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310013605 347217112 /nfs/dbraw/zinc/21/71/12/347217112.db2.gz JVNJOZYDSUVDBC-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)[NH+]1CCN(c2cc(F)ccc2C#N)CC1 ZINC001639238591 1172089949 /nfs/dbraw/zinc/08/99/49/1172089949.db2.gz DLTPPWSXJGJHLK-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCCCN(C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000310110761 347233871 /nfs/dbraw/zinc/23/38/71/347233871.db2.gz FJOUQDSTCCYRBO-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C#C[C@@H](C)NC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000187047511 347248583 /nfs/dbraw/zinc/24/85/83/347248583.db2.gz AQHBNAIJCZBPFQ-LLVKDONJSA-N 1 0 215.300 2.052 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1sccc1C#N ZINC000276511628 166256521 /nfs/dbraw/zinc/25/65/21/166256521.db2.gz XQHBWMGDSSHAPL-UHFFFAOYSA-N 1 0 249.339 2.066 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CCCC(C)(C)C#N ZINC000300844166 347269605 /nfs/dbraw/zinc/26/96/05/347269605.db2.gz KKSOKLBPDAAQKD-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cn1cccn1 ZINC000449485970 201941116 /nfs/dbraw/zinc/94/11/16/201941116.db2.gz PNLVIZHWKXROAK-NSHDSACASA-N 1 0 207.321 2.073 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000563069828 347367599 /nfs/dbraw/zinc/36/75/99/347367599.db2.gz ZLDFCRLOPGSHGI-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccccc1C#N ZINC000335757708 136744572 /nfs/dbraw/zinc/74/45/72/136744572.db2.gz MITCWDGFTWVDDN-CHWSQXEVSA-N 1 0 243.354 2.083 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000351915887 136746154 /nfs/dbraw/zinc/74/61/54/136746154.db2.gz SHLFWJARPDVZHW-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCC2CCOCC2)C1 ZINC000351915886 136746205 /nfs/dbraw/zinc/74/62/05/136746205.db2.gz SHLFWJARPDVZHW-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302659 347394826 /nfs/dbraw/zinc/39/48/26/347394826.db2.gz IPQIHSCRYVUCIQ-QWHCGFSZSA-N 1 0 249.333 2.386 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193262130 347394896 /nfs/dbraw/zinc/39/48/96/347394896.db2.gz NECJSIHZXCAXLD-JIMOISOXSA-N 1 0 249.333 2.384 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000590652485 347485755 /nfs/dbraw/zinc/48/57/55/347485755.db2.gz NJXABYJYRNJVBE-CMOBGSAGSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000364515194 347461379 /nfs/dbraw/zinc/46/13/79/347461379.db2.gz YPXZMRXZWCBBDG-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CC[N@@H+]1CCS[C@H](c2ccccc2)C1 ZINC000364557719 347462273 /nfs/dbraw/zinc/46/22/73/347462273.db2.gz MOLDKFOQUJQOJO-ZDUSSCGKSA-N 1 0 217.337 2.410 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000364594528 347463132 /nfs/dbraw/zinc/46/31/32/347463132.db2.gz HVUDRTVAZZLFOO-LBPRGKRZSA-N 1 0 203.285 2.482 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000111259676 347472880 /nfs/dbraw/zinc/47/28/80/347472880.db2.gz LOLLULPQHSHALW-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000111259419 347473125 /nfs/dbraw/zinc/47/31/25/347473125.db2.gz ZWIGZNAWZVKXDF-UHFFFAOYSA-N 1 0 233.359 2.435 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000590593144 347477874 /nfs/dbraw/zinc/47/78/74/347477874.db2.gz KZMNIJPVYYKVRN-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(C)CCOCC1 ZINC000590594071 347478891 /nfs/dbraw/zinc/47/88/91/347478891.db2.gz LXUHOVLVBCCYGR-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCc2ccccc2NC1=O ZINC000277063400 166262188 /nfs/dbraw/zinc/26/21/88/166262188.db2.gz WEVHSJFVXVMRER-AWEZNQCLSA-N 1 0 244.338 2.448 20 30 BEEDRO COc1cc(CNC[C@H](C)C#N)ccc1C ZINC000194630893 347566925 /nfs/dbraw/zinc/56/69/25/347566925.db2.gz WSHBPQPHMZHZGV-SNVBAGLBSA-N 1 0 218.300 2.253 20 30 BEEDRO N#CCN1CCC([NH2+]C2CCC3(CC3)CC2)CC1 ZINC000616992967 347571323 /nfs/dbraw/zinc/57/13/23/347571323.db2.gz IEMHWLGEFWLUMA-UHFFFAOYSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)C[C@H](C)O1 ZINC000252811435 347586415 /nfs/dbraw/zinc/58/64/15/347586415.db2.gz OMCUAXSWYZRRNO-JGPRNRPPSA-N 1 0 210.321 2.082 20 30 BEEDRO N#Cc1cccc([N+](=O)[O-])c1CN1CC=CCC1 ZINC000590955723 347593922 /nfs/dbraw/zinc/59/39/22/347593922.db2.gz DRBXROXJVWCJKW-UHFFFAOYSA-N 1 0 243.266 2.228 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c1 ZINC000590972108 347597978 /nfs/dbraw/zinc/59/79/78/347597978.db2.gz AIHBLTUUUJHTTF-YPMHNXCESA-N 1 0 248.351 2.231 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590971628 347598357 /nfs/dbraw/zinc/59/83/57/347598357.db2.gz AOGWIARZYDXLGC-NEPJUHHUSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000419231467 192107503 /nfs/dbraw/zinc/10/75/03/192107503.db2.gz RWCUFCYXENOCGK-GFCCVEGCSA-N 1 0 232.327 2.015 20 30 BEEDRO COC1([C@H](C)[NH2+]Cc2ccnc(C#N)c2)CCC1 ZINC000591051591 347615622 /nfs/dbraw/zinc/61/56/22/347615622.db2.gz WYPJSHLYSKYYQL-NSHDSACASA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000338563158 166265406 /nfs/dbraw/zinc/26/54/06/166265406.db2.gz JCQFUXFMQBTMLC-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000591357710 347644629 /nfs/dbraw/zinc/64/46/29/347644629.db2.gz VWLALQNSTLVEHH-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000591375671 347650646 /nfs/dbraw/zinc/65/06/46/347650646.db2.gz QCPNUZVEIXKSNZ-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1nsc(NC2CCC([NH3+])CC2)c1C#N ZINC000591428052 347658878 /nfs/dbraw/zinc/65/88/78/347658878.db2.gz JXOPMIOEEUXBFE-UHFFFAOYSA-N 1 0 236.344 2.005 20 30 BEEDRO Cc1nsc(N[C@@H]2CCC[C@H]([NH3+])C2)c1C#N ZINC000591435819 347660049 /nfs/dbraw/zinc/66/00/49/347660049.db2.gz QSPZJNHWWCODOK-DTWKUNHWSA-N 1 0 236.344 2.005 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000591026555 347611339 /nfs/dbraw/zinc/61/13/39/347611339.db2.gz PUFBRBCCWBUNHQ-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591063332 347612753 /nfs/dbraw/zinc/61/27/53/347612753.db2.gz PTPYMVNDPNLWRH-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591579976 347677357 /nfs/dbraw/zinc/67/73/57/347677357.db2.gz COHBDLKBXJQWRR-ZIBATOQPSA-N 1 0 243.354 2.261 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCC1 ZINC000591757415 347691208 /nfs/dbraw/zinc/69/12/08/347691208.db2.gz ZSTZVUYJNRPXAZ-WDEREUQCSA-N 1 0 205.305 2.208 20 30 BEEDRO CCC1(O)CCC([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000591758306 347691926 /nfs/dbraw/zinc/69/19/26/347691926.db2.gz XEZBWAQRSBSPHK-HSBZDZAISA-N 1 0 249.358 2.103 20 30 BEEDRO CC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591765872 347697782 /nfs/dbraw/zinc/69/77/82/347697782.db2.gz NAYOBACZFPHJTB-LLVKDONJSA-N 1 0 238.718 2.072 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C(=O)NCCCC)CC[C@H]1C ZINC000066473144 347705907 /nfs/dbraw/zinc/70/59/07/347705907.db2.gz LARMAPHNXXAPLQ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000592374346 347771019 /nfs/dbraw/zinc/77/10/19/347771019.db2.gz ARVPJOAKHAMNSH-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CO1 ZINC000592367020 347775629 /nfs/dbraw/zinc/77/56/29/347775629.db2.gz LIBVIJAGMXDOFD-YVLXSGLVSA-N 1 0 242.322 2.313 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000592393225 347776317 /nfs/dbraw/zinc/77/63/17/347776317.db2.gz XIGGXLDGCICSNH-GJZGRUSLSA-N 1 0 244.338 2.351 20 30 BEEDRO COCC1(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000592392551 347776393 /nfs/dbraw/zinc/77/63/93/347776393.db2.gz KKBGFBURDUFAEG-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000592393226 347776401 /nfs/dbraw/zinc/77/64/01/347776401.db2.gz XIGGXLDGCICSNH-HUUCEWRRSA-N 1 0 244.338 2.351 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000592398232 347776836 /nfs/dbraw/zinc/77/68/36/347776836.db2.gz RSBSGLOYSGYIOJ-ZDEQEGDKSA-N 1 0 224.348 2.065 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000592401744 347777224 /nfs/dbraw/zinc/77/72/24/347777224.db2.gz ZXJVDKIMVFRVAQ-QNWJLWSRSA-N 1 0 204.317 2.457 20 30 BEEDRO N#CCC[N@H+](CCC[C@@H]1CCOC1)CC1CC1 ZINC000592071771 347728442 /nfs/dbraw/zinc/72/84/42/347728442.db2.gz QRDUBJKDPLJINU-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C[N@H+](Cc1ccncc1C#N)C1CCCC1 ZINC000592059179 347732474 /nfs/dbraw/zinc/73/24/74/347732474.db2.gz QKCRIVFJISEFBV-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149113 347741043 /nfs/dbraw/zinc/74/10/43/347741043.db2.gz JBFBUTJDDNAOSA-HIFRSBDPSA-N 1 0 244.338 2.407 20 30 BEEDRO CCC(C)(C)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151099 347742676 /nfs/dbraw/zinc/74/26/76/347742676.db2.gz LWUCZCJFODFKBG-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c(C)c1 ZINC000592154195 347744752 /nfs/dbraw/zinc/74/47/52/347744752.db2.gz RIRUOHLDSUAGCV-OAHLLOKOSA-N 1 0 244.338 2.154 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](CCC2=CCCCC2)C1 ZINC000592155240 347745425 /nfs/dbraw/zinc/74/54/25/347745425.db2.gz YXTRDOQIYOPERM-CQSZACIVSA-N 1 0 234.343 2.227 20 30 BEEDRO CC[N@H+](CCSC)Cc1ccnc(C#N)c1 ZINC000592201358 347752906 /nfs/dbraw/zinc/75/29/06/347752906.db2.gz FZJIYIVGMBNVRB-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000577278108 365914409 /nfs/dbraw/zinc/91/44/09/365914409.db2.gz PYRHANHJRNGYEZ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1C ZINC000592524737 347794880 /nfs/dbraw/zinc/79/48/80/347794880.db2.gz ZOLBGHIRJLHCQS-HNNXBMFYSA-N 1 0 244.338 2.154 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000577283018 365917015 /nfs/dbraw/zinc/91/70/15/365917015.db2.gz HGMCLEZORRDALN-UHFFFAOYSA-N 1 0 245.282 2.451 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(C2CC2)o1 ZINC000628299995 347808039 /nfs/dbraw/zinc/80/80/39/347808039.db2.gz KGJNBNZTXRZXAK-OLZOCXBDSA-N 1 0 248.326 2.375 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679677029 488363718 /nfs/dbraw/zinc/36/37/18/488363718.db2.gz VDFNADKFULLSQR-SECBINFHSA-N 1 0 205.248 2.266 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@H](C)CCO)ccc1C#N ZINC000593107322 347859742 /nfs/dbraw/zinc/85/97/42/347859742.db2.gz CNJWCGIIUBFPOB-GFCCVEGCSA-N 1 0 232.327 2.069 20 30 BEEDRO C=CCCCC[NH2+][C@H](CO)C1CCCC1 ZINC000577340465 365927806 /nfs/dbraw/zinc/92/78/06/365927806.db2.gz ZDWJQMQUFPQXLR-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO CCOc1ccc(C2=CC[NH2+]CC2)cc1C#N ZINC000592987822 347837267 /nfs/dbraw/zinc/83/72/67/347837267.db2.gz DHARWILEYXMWLL-UHFFFAOYSA-N 1 0 228.295 2.334 20 30 BEEDRO N#CCSCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118848 347862719 /nfs/dbraw/zinc/86/27/19/347862719.db2.gz YVFCAERRCJOTSC-JTQLQIEISA-N 1 0 246.326 2.364 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CCO[C@H](CC)C1)C(C)C ZINC000390678185 259398066 /nfs/dbraw/zinc/39/80/66/259398066.db2.gz YMLQZMZPTFZPRV-MJBXVCDLSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680967 488364347 /nfs/dbraw/zinc/36/43/47/488364347.db2.gz FDYFHVWBPRTDDK-MNOVXSKESA-N 1 0 249.301 2.017 20 30 BEEDRO C[C@@H](CCC#N)N(C)CC[NH+]1CCCCC1 ZINC000593113048 347861573 /nfs/dbraw/zinc/86/15/73/347861573.db2.gz WEGRQEJAODPQBQ-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO CC[C@@H](C#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000593402830 347884171 /nfs/dbraw/zinc/88/41/71/347884171.db2.gz DEMRFXJQDWTWMN-LBPRGKRZSA-N 1 0 245.326 2.236 20 30 BEEDRO CC(C)C[C@@H]([NH3+])CN1Cc2cccc(C#N)c2C1 ZINC000593316155 347881146 /nfs/dbraw/zinc/88/11/46/347881146.db2.gz ABGDDPGCKFRAFU-CQSZACIVSA-N 1 0 243.354 2.247 20 30 BEEDRO CC(C)C[C@H]([NH3+])CN1Cc2cccc(C#N)c2C1 ZINC000593316152 347881188 /nfs/dbraw/zinc/88/11/88/347881188.db2.gz ABGDDPGCKFRAFU-AWEZNQCLSA-N 1 0 243.354 2.247 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000593692175 347928566 /nfs/dbraw/zinc/92/85/66/347928566.db2.gz QQWGSPXZXQBBHO-OLZOCXBDSA-N 1 0 236.359 2.211 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000593681892 347932589 /nfs/dbraw/zinc/93/25/89/347932589.db2.gz LYFCGFFHVBWOEV-BNOWGMLFSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000593682544 347932912 /nfs/dbraw/zinc/93/29/12/347932912.db2.gz SVQWXPCZIFONGV-GFCCVEGCSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](COCC1CC1)[NH2+]Cc1cccc(C#N)c1 ZINC000593682545 347932926 /nfs/dbraw/zinc/93/29/26/347932926.db2.gz SVQWXPCZIFONGV-LBPRGKRZSA-N 1 0 244.338 2.463 20 30 BEEDRO COC[C@H](CC(C)(C)C)[NH2+]C[C@@H](C)C#N ZINC000593616271 347915993 /nfs/dbraw/zinc/91/59/93/347915993.db2.gz YIKNWLRXNQDHRH-QWRGUYRKSA-N 1 0 212.337 2.187 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[S@](C)=O)C1 ZINC000593614610 347920768 /nfs/dbraw/zinc/92/07/68/347920768.db2.gz FRSGDKJDCORYAH-OXIQGZBJSA-N 1 0 229.389 2.088 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000593658513 347923407 /nfs/dbraw/zinc/92/34/07/347923407.db2.gz QMKPZGXBJHYELB-XUXIUFHCSA-N 1 0 238.375 2.455 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)nc1 ZINC000593968348 347974455 /nfs/dbraw/zinc/97/44/55/347974455.db2.gz CFRMHIPMVFRWLK-JTQLQIEISA-N 1 0 237.253 2.040 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)[C@H]1C ZINC000594012940 347988831 /nfs/dbraw/zinc/98/88/31/347988831.db2.gz QJLVHKPOEXDGFD-WOPDTQHZSA-N 1 0 229.327 2.430 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(C3CCC3)CC2)nc1 ZINC000594014984 347989858 /nfs/dbraw/zinc/98/98/58/347989858.db2.gz QIXARDPUJAQHQY-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000594014838 347989934 /nfs/dbraw/zinc/98/99/34/347989934.db2.gz NLRAMRJQPORQFX-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000594028386 347992098 /nfs/dbraw/zinc/99/20/98/347992098.db2.gz OJXCVULODWYPCF-GFCCVEGCSA-N 1 0 242.322 2.300 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)[C@H]1CCCCO1 ZINC000594040037 347994975 /nfs/dbraw/zinc/99/49/75/347994975.db2.gz CQKCONFEIFPZJI-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](O)C[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000594061946 347996527 /nfs/dbraw/zinc/99/65/27/347996527.db2.gz DTHVMEOSJXCYEA-GFCCVEGCSA-N 1 0 244.338 2.098 20 30 BEEDRO C[C@H](O)C[N@H+](CCCC(C)(C)C#N)C1CC1 ZINC000594062992 347997542 /nfs/dbraw/zinc/99/75/42/347997542.db2.gz HKKUPLRRRWKSIC-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000594063605 347997628 /nfs/dbraw/zinc/99/76/28/347997628.db2.gz JGFMGPRPZICVGY-GFCCVEGCSA-N 1 0 244.338 2.212 20 30 BEEDRO CC1=C(C)C[N@H+](Cc2ccc(C#N)cn2)CC1 ZINC000593984427 347979006 /nfs/dbraw/zinc/97/90/06/347979006.db2.gz XWOSADOEIISGGV-UHFFFAOYSA-N 1 0 227.311 2.495 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]CCCCO)cc1 ZINC000594504689 348064122 /nfs/dbraw/zinc/06/41/22/348064122.db2.gz SICAKYDZAAABSH-UHFFFAOYSA-N 1 0 246.354 2.350 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC000594505144 348064658 /nfs/dbraw/zinc/06/46/58/348064658.db2.gz PMVSDODPCBNDKP-AWEZNQCLSA-N 1 0 244.338 2.366 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C#N)cc2F)C1 ZINC000594592172 348079278 /nfs/dbraw/zinc/07/92/78/348079278.db2.gz NRLWFZPGHHFDPG-TXEJJXNPSA-N 1 0 247.317 2.449 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(F)c1 ZINC000594582817 348077102 /nfs/dbraw/zinc/07/71/02/348077102.db2.gz JBRWRIOYDNQROQ-STQMWFEESA-N 1 0 247.317 2.057 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000594592858 348080038 /nfs/dbraw/zinc/08/00/38/348080038.db2.gz ZLFDEYCPJYBQEL-PHIMTYICSA-N 1 0 247.317 2.449 20 30 BEEDRO CCC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426858 348043854 /nfs/dbraw/zinc/04/38/54/348043854.db2.gz GAELMXWMRDRYFH-NEPJUHHUSA-N 1 0 239.363 2.045 20 30 BEEDRO COCC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000594512717 348061216 /nfs/dbraw/zinc/06/12/16/348061216.db2.gz WLOANZAUMCZAJL-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000594514387 348062044 /nfs/dbraw/zinc/06/20/44/348062044.db2.gz WDQKCCQVMRSJOJ-NEPJUHHUSA-N 1 0 244.342 2.001 20 30 BEEDRO CC[C@H](C)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000594714012 348104883 /nfs/dbraw/zinc/10/48/83/348104883.db2.gz WDXJQNNXFIBTAV-NWDGAFQWSA-N 1 0 207.321 2.456 20 30 BEEDRO C=CCCSCC[NH2+]CC1(O)CCCC1 ZINC000594718790 348107096 /nfs/dbraw/zinc/10/70/96/348107096.db2.gz UHAOAFNPVOICAI-UHFFFAOYSA-N 1 0 229.389 2.190 20 30 BEEDRO C[C@]1(C[NH2+]C[C@@H](C#N)CCC#N)CC1(F)F ZINC000594724682 348108161 /nfs/dbraw/zinc/10/81/61/348108161.db2.gz FXYBNCIFWKSMTL-NXEZZACHSA-N 1 0 227.258 2.065 20 30 BEEDRO C=C1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000594733840 348109632 /nfs/dbraw/zinc/10/96/32/348109632.db2.gz UYMKFZYAUJVCLJ-UHFFFAOYSA-N 1 0 219.332 2.005 20 30 BEEDRO N#CC1(CN[C@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000594740558 348110920 /nfs/dbraw/zinc/11/09/20/348110920.db2.gz YWRGWRLEUVAHQR-STQMWFEESA-N 1 0 235.375 2.320 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CC(C)(C)C#N)CS1 ZINC000594611650 348081909 /nfs/dbraw/zinc/08/19/09/348081909.db2.gz JILKYPJUFUEHFL-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594610381 348082536 /nfs/dbraw/zinc/08/25/36/348082536.db2.gz ZGVYLSOPLYOTQB-MRVPVSSYSA-N 1 0 223.272 2.039 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594615917 348083917 /nfs/dbraw/zinc/08/39/17/348083917.db2.gz XJUSSCRJXZMQJK-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO CCC[C@@H]([NH3+])c1cn(CC2(C#N)CCCC2)nn1 ZINC000594655749 348092718 /nfs/dbraw/zinc/09/27/18/348092718.db2.gz KBJMZTHYKWCTLJ-LLVKDONJSA-N 1 0 247.346 2.162 20 30 BEEDRO CC(C)(CC#N)CNCc1cn(C2CCC2)nn1 ZINC000594945879 348145598 /nfs/dbraw/zinc/14/55/98/348145598.db2.gz HUACJEYEHQFDFV-UHFFFAOYSA-N 1 0 247.346 2.033 20 30 BEEDRO CC(C)n1ccnc1C[NH2+]CC(C)(C)CC#N ZINC000594946870 348146161 /nfs/dbraw/zinc/14/61/61/348146161.db2.gz TZSHNHNCQOVLRI-UHFFFAOYSA-N 1 0 234.347 2.493 20 30 BEEDRO Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000594948480 348146742 /nfs/dbraw/zinc/14/67/42/348146742.db2.gz ZURKBQUJQYSDCK-JQWIXIFHSA-N 1 0 244.342 2.079 20 30 BEEDRO N#Cc1ccc(CC[NH2+]CC2=CCCOC2)cc1 ZINC000594954175 348148409 /nfs/dbraw/zinc/14/84/09/348148409.db2.gz DJPSXGGISPZELA-UHFFFAOYSA-N 1 0 242.322 2.037 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000594955026 348148975 /nfs/dbraw/zinc/14/89/75/348148975.db2.gz KSUPNRVKAIBBBD-NSHDSACASA-N 1 0 214.312 2.489 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@H](C)O1 ZINC000594955691 348148980 /nfs/dbraw/zinc/14/89/80/348148980.db2.gz SCOPAUDPRWZBBJ-XUJVJEKNSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000594955688 348149147 /nfs/dbraw/zinc/14/91/47/348149147.db2.gz SCOPAUDPRWZBBJ-JMSVASOKSA-N 1 0 244.338 2.256 20 30 BEEDRO C=CCCSCC[NH2+]Cc1c(C)n[nH]c1C ZINC000594960220 348150848 /nfs/dbraw/zinc/15/08/48/348150848.db2.gz NKLSBLWPKMUGHC-UHFFFAOYSA-N 1 0 239.388 2.425 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CO1 ZINC000594962331 348151605 /nfs/dbraw/zinc/15/16/05/348151605.db2.gz ZTCYNCXRUWQHAP-OLZOCXBDSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000594923461 348156384 /nfs/dbraw/zinc/15/63/84/348156384.db2.gz YGLGIZCVEPXWID-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C[C@@H](CSCCF)[NH2+]CCCCC#N ZINC000595010774 348159799 /nfs/dbraw/zinc/15/97/99/348159799.db2.gz IIDQNFRVUVZXIS-JTQLQIEISA-N 1 0 218.341 2.361 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000594967217 348160539 /nfs/dbraw/zinc/16/05/39/348160539.db2.gz IIHJLKUTHBOIRX-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000594968520 348161386 /nfs/dbraw/zinc/16/13/86/348161386.db2.gz QNNQHSRGHHKJFW-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cnc(C)n1C ZINC000594969717 348161945 /nfs/dbraw/zinc/16/19/45/348161945.db2.gz YYRIAKJRPVEIQE-UHFFFAOYSA-N 1 0 239.388 2.127 20 30 BEEDRO CC(C)(F)CC[NH2+]Cc1nc(C#N)cs1 ZINC000594973186 348162193 /nfs/dbraw/zinc/16/21/93/348162193.db2.gz PKVQFZKKDZLSJC-UHFFFAOYSA-N 1 0 227.308 2.243 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]C/C=C\CO)cc1 ZINC000594974555 348162871 /nfs/dbraw/zinc/16/28/71/348162871.db2.gz LYAZBIQKAFQOLW-ARJAWSKDSA-N 1 0 244.338 2.126 20 30 BEEDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981663 348164382 /nfs/dbraw/zinc/16/43/82/348164382.db2.gz SMZBTHQDSWPDEH-OLZOCXBDSA-N 1 0 235.375 2.000 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000594983462 348164685 /nfs/dbraw/zinc/16/46/85/348164685.db2.gz MLMLXPVAWHHRQN-OAHLLOKOSA-N 1 0 244.338 2.056 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000594989692 348166961 /nfs/dbraw/zinc/16/69/61/348166961.db2.gz VUJRNIHSWCVZPM-NWDGAFQWSA-N 1 0 248.351 2.013 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000594989690 348167023 /nfs/dbraw/zinc/16/70/23/348167023.db2.gz VUJRNIHSWCVZPM-NEPJUHHUSA-N 1 0 248.351 2.013 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594995985 348167766 /nfs/dbraw/zinc/16/77/66/348167766.db2.gz PQGOKLPVSINYEX-CQSZACIVSA-N 1 0 244.338 2.124 20 30 BEEDRO COC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595288447 348213669 /nfs/dbraw/zinc/21/36/69/348213669.db2.gz IWTIRLNJKLIABK-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[NH+](C)C1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000595298549 348217000 /nfs/dbraw/zinc/21/70/00/348217000.db2.gz ROAROBDVICCGJX-OAHLLOKOSA-N 1 0 243.354 2.277 20 30 BEEDRO COC[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595334795 348220455 /nfs/dbraw/zinc/22/04/55/348220455.db2.gz VYQMKQLKJNBBPQ-HNNXBMFYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC000595340330 348221419 /nfs/dbraw/zinc/22/14/19/348221419.db2.gz FNUDBVKYNBGHMR-HNNXBMFYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@H](CCCCO)[NH2+]CCc1ccc(C#N)cc1 ZINC000595057897 348182913 /nfs/dbraw/zinc/18/29/13/348182913.db2.gz YHPWDDPVGMLYJZ-CYBMUJFWSA-N 1 0 246.354 2.241 20 30 BEEDRO C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccc(C#N)cc1 ZINC000595056534 348183062 /nfs/dbraw/zinc/18/30/62/348183062.db2.gz LGAHRWPRXJRUJL-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1ccnn1C ZINC000595057826 348183070 /nfs/dbraw/zinc/18/30/70/348183070.db2.gz FJJGVBQOFREHFI-LLVKDONJSA-N 1 0 239.388 2.380 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@H]2CCSC2)cc1 ZINC000595059019 348184036 /nfs/dbraw/zinc/18/40/36/348184036.db2.gz FJMQGSVUAUFFHX-ZDUSSCGKSA-N 1 0 232.352 2.196 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)[C@@H](C)OC ZINC000595060948 348184780 /nfs/dbraw/zinc/18/47/80/348184780.db2.gz WRICWAIHPMXYLR-GHMZBOCLSA-N 1 0 217.378 2.309 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCCOC1 ZINC000595059838 348184803 /nfs/dbraw/zinc/18/48/03/348184803.db2.gz PQWUHEMJBWSSLP-NSHDSACASA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000595059812 348184808 /nfs/dbraw/zinc/18/48/08/348184808.db2.gz PFEHXLHZRDDBHN-JTQLQIEISA-N 1 0 225.361 2.370 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2CCC(O)CC2)C1 ZINC000595095291 348193493 /nfs/dbraw/zinc/19/34/93/348193493.db2.gz VSEWKVHYSCBAFF-CEUNDQEZSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000118973476 348193809 /nfs/dbraw/zinc/19/38/09/348193809.db2.gz RMESVCOYNRNFBP-UHFFFAOYSA-N 1 0 230.355 2.120 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595104985 348196552 /nfs/dbraw/zinc/19/65/52/348196552.db2.gz BZFZNICAKSUNRI-UTUOFQBUSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595104982 348196823 /nfs/dbraw/zinc/19/68/23/348196823.db2.gz BZFZNICAKSUNRI-IJLUTSLNSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC2CC=CC2)CC1 ZINC000595399837 348238404 /nfs/dbraw/zinc/23/84/04/348238404.db2.gz YLRIAJJRIHJKOG-OAHLLOKOSA-N 1 0 247.386 2.118 20 30 BEEDRO N#CCCN1CC[NH+](CCCC2CCC2)CC1 ZINC000595391376 348244053 /nfs/dbraw/zinc/24/40/53/348244053.db2.gz JIAXHTTWZBVDPE-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO CC[N@H+](CCc1ccc(C#N)cc1)C[C@@H](C)OC ZINC000595492937 348262346 /nfs/dbraw/zinc/26/23/46/348262346.db2.gz HXJPHGHTGIYUIR-CYBMUJFWSA-N 1 0 246.354 2.458 20 30 BEEDRO CO[C@@H](C[NH+]1CCC(C)(C#N)CC1)C1CCC1 ZINC000595431071 348248995 /nfs/dbraw/zinc/24/89/95/348248995.db2.gz XPYVSAXWDOLQRQ-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595484585 348253477 /nfs/dbraw/zinc/25/34/77/348253477.db2.gz RTWJWEQWWKZHDD-RISCZKNCSA-N 1 0 246.379 2.442 20 30 BEEDRO CO[C@@H](CN1CC[C@](F)(C#N)C1)C1CCCC1 ZINC000595454306 348253984 /nfs/dbraw/zinc/25/39/84/348253984.db2.gz HDXMLQBWPUQLQA-STQMWFEESA-N 1 0 240.322 2.129 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000419243283 192113575 /nfs/dbraw/zinc/11/35/75/192113575.db2.gz SKXHWICJPACTLB-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO CCN(CCC#N)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595331663 348228351 /nfs/dbraw/zinc/22/83/51/348228351.db2.gz CGWABEUBCMTEBU-ZIAGYGMSSA-N 1 0 237.391 2.200 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1ccc(F)cc1 ZINC000491792338 362858826 /nfs/dbraw/zinc/85/88/26/362858826.db2.gz FHZTYXBCGSRXLY-NSHDSACASA-N 1 0 221.275 2.158 20 30 BEEDRO C[C@H](CC#N)N(C)CCc1ccc(C#N)cc1 ZINC000595343185 348234143 /nfs/dbraw/zinc/23/41/43/348234143.db2.gz FZGAENPLJHJPHW-GFCCVEGCSA-N 1 0 227.311 2.335 20 30 BEEDRO 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CC[C@H](CC#N)[NH2+]C[C@@H](OC)C1CCC1 ZINC000595530864 348273084 /nfs/dbraw/zinc/27/30/84/348273084.db2.gz VFRFEEQYRVIYRH-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CSC ZINC000595602067 348286271 /nfs/dbraw/zinc/28/62/71/348286271.db2.gz HACGLBNIHZSHAK-JHJVBQTASA-N 1 0 243.416 2.435 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CO)C1CCC1 ZINC000595617870 348289857 /nfs/dbraw/zinc/28/98/57/348289857.db2.gz UZXQIOHAGYVYLP-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C1CCC1 ZINC000595618491 348290447 /nfs/dbraw/zinc/29/04/47/348290447.db2.gz YNYFDMGSKNTXCF-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C1CCC1 ZINC000595618492 348290585 /nfs/dbraw/zinc/29/05/85/348290585.db2.gz YNYFDMGSKNTXCF-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)CCO1 ZINC000595622884 348291077 /nfs/dbraw/zinc/29/10/77/348291077.db2.gz FIBILEALGKIRMK-FRRDWIJNSA-N 1 0 222.332 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348340380 /nfs/dbraw/zinc/34/03/80/348340380.db2.gz NCBJHBNRNLMECF-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCSCC#N)C[C@H](C)O1 ZINC000595781896 348345019 /nfs/dbraw/zinc/34/50/19/348345019.db2.gz VHXCWKHBLQURHK-NEPJUHHUSA-N 1 0 242.388 2.133 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)C[C@@]1(C)CO ZINC000595877445 348387755 /nfs/dbraw/zinc/38/77/55/348387755.db2.gz UBLCAUOEYLKBCT-DOMZBBRYSA-N 1 0 244.338 2.009 20 30 BEEDRO COCCCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839636 348373479 /nfs/dbraw/zinc/37/34/79/348373479.db2.gz KNQHGRNIPFNVMH-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCCCCn2cccn2)C1 ZINC000595839992 348373725 /nfs/dbraw/zinc/37/37/25/348373725.db2.gz NIMGETCSFZUXRJ-AWEZNQCLSA-N 1 0 246.358 2.289 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000595840802 348375137 /nfs/dbraw/zinc/37/51/37/348375137.db2.gz FQVIJWDSBMARSG-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](CC)C(=O)OC 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CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000598720665 349027896 /nfs/dbraw/zinc/02/78/96/349027896.db2.gz PFHWBFCTDZNGEU-QWHCGFSZSA-N 1 0 236.359 2.233 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000598722588 349028239 /nfs/dbraw/zinc/02/82/39/349028239.db2.gz BIXDUPAINUWKLA-GFCCVEGCSA-N 1 0 236.359 2.067 20 30 BEEDRO CC[C@@H](CSC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598723657 349028781 /nfs/dbraw/zinc/02/87/81/349028781.db2.gz JIZFGBGTAYHCRQ-WDEREUQCSA-N 1 0 244.404 2.018 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000598722959 349028839 /nfs/dbraw/zinc/02/88/39/349028839.db2.gz FBTZCLZDEZGVIB-NWDGAFQWSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000598726073 349029160 /nfs/dbraw/zinc/02/91/60/349029160.db2.gz QXOMCYSTHGOCFU-UWVGGRQHSA-N 1 0 246.301 2.065 20 30 BEEDRO CC(C)SCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729080 349031342 /nfs/dbraw/zinc/03/13/42/349031342.db2.gz ZCRQOTSKSFDMRG-LLVKDONJSA-N 1 0 244.404 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RLGHTXJIRMFJBG-VHDGCEQUSA-N 1 0 244.338 2.370 20 30 BEEDRO C[N@@H+]1CCCC[C@H](CNc2cccc(C#N)n2)C1 ZINC000599138700 349097945 /nfs/dbraw/zinc/09/79/45/349097945.db2.gz JQVKDIOBICDDOF-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CC[NH2+]Cc1c(C)[nH]c(C(=O)OCC)c1C ZINC000598954876 349066758 /nfs/dbraw/zinc/06/67/58/349066758.db2.gz DRAIVKJIGBVFKG-UHFFFAOYSA-N 1 0 236.315 2.084 20 30 BEEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)CC(C)(C)O ZINC000599295391 349149923 /nfs/dbraw/zinc/14/99/23/349149923.db2.gz LCOLIHKKZUBGBE-UHFFFAOYSA-N 1 0 246.354 2.460 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C#N)C12CCC2 ZINC000246988646 349109353 /nfs/dbraw/zinc/10/93/53/349109353.db2.gz PLPHPWNNWORPOR-IJLUTSLNSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C)CC(=O)NC ZINC000449602646 201981722 /nfs/dbraw/zinc/98/17/22/201981722.db2.gz PFSXFVUDOOGEEI-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599272859 349137605 /nfs/dbraw/zinc/13/76/05/349137605.db2.gz NEKJUZXINARHIP-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO CCO[C@@H](C[N@H+](CC)C[C@@H](C)C#N)C1CC1 ZINC000599276627 349138262 /nfs/dbraw/zinc/13/82/62/349138262.db2.gz CLZJRTLNIOCEFC-AAEUAGOBSA-N 1 0 224.348 2.283 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@H]2CCOC2)cc1C#N ZINC000599298295 349140232 /nfs/dbraw/zinc/14/02/32/349140232.db2.gz XSLFHCIHFAKWAD-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599298578 349140288 /nfs/dbraw/zinc/14/02/88/349140288.db2.gz WLVNJLCDPIHKDD-AWEZNQCLSA-N 1 0 244.338 2.335 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599298579 349140397 /nfs/dbraw/zinc/14/03/97/349140397.db2.gz WLVNJLCDPIHKDD-CQSZACIVSA-N 1 0 244.338 2.335 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(CO)CC1 ZINC000449581272 201977849 /nfs/dbraw/zinc/97/78/49/201977849.db2.gz YFRCKKDDVJGQQT-RYUDHWBXSA-N 1 0 211.349 2.339 20 30 BEEDRO CCO[C@@H](C[NH2+][C@@H](CC)CC#N)C1CC1 ZINC000599437572 349177018 /nfs/dbraw/zinc/17/70/18/349177018.db2.gz PALFXXQYWWSKMD-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599461808 349190536 /nfs/dbraw/zinc/19/05/36/349190536.db2.gz KUXUYPWMBRVRPD-NEPJUHHUSA-N 1 0 238.375 2.455 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599345662 349154001 /nfs/dbraw/zinc/15/40/01/349154001.db2.gz UFJQGVXWEDUFOL-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599345405 349154100 /nfs/dbraw/zinc/15/41/00/349154100.db2.gz PYWNPXAPHUKJQC-TZMCWYRMSA-N 1 0 244.338 2.392 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](CCO)C(C)C)cc1C#N ZINC000599358522 349159444 /nfs/dbraw/zinc/15/94/44/349159444.db2.gz DDINKXMVHSRTLR-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO CCO[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000599361520 349160216 /nfs/dbraw/zinc/16/02/16/349160216.db2.gz IQSUVOQXFIVTOC-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1C#N ZINC000599370809 349161647 /nfs/dbraw/zinc/16/16/47/349161647.db2.gz LAHDEFOSBVMLKA-LLVKDONJSA-N 1 0 240.310 2.441 20 30 BEEDRO Cc1ccc(C[N@H+](CCO)C2CCC2)cc1C#N ZINC000599381932 349163112 /nfs/dbraw/zinc/16/31/12/349163112.db2.gz GMGAHUGICFGCKO-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO CC1(C)CCC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599378965 349163263 /nfs/dbraw/zinc/16/32/63/349163263.db2.gz VAQYVHZMHARXMW-RYUDHWBXSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000421837701 192391178 /nfs/dbraw/zinc/39/11/78/192391178.db2.gz RVESSWZXRWEUIP-QWHCGFSZSA-N 1 0 241.375 2.108 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000599353778 349164568 /nfs/dbraw/zinc/16/45/68/349164568.db2.gz PSVNHVZRDRIWIY-OAHLLOKOSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1C#N ZINC000599433575 349174124 /nfs/dbraw/zinc/17/41/24/349174124.db2.gz HOQPFVSXXAUDBK-KGLIPLIRSA-N 1 0 244.338 2.116 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)co2)C1 ZINC000599526839 349208838 /nfs/dbraw/zinc/20/88/38/349208838.db2.gz UTXVGYUPLQICNX-LLVKDONJSA-N 1 0 249.310 2.464 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCC(C)(C)C(=O)OC)C1 ZINC000599529586 349209596 /nfs/dbraw/zinc/20/95/96/349209596.db2.gz OHPBZMFENYWMMQ-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000386412323 349225384 /nfs/dbraw/zinc/22/53/84/349225384.db2.gz GFXWKFJELMSCCX-UHFFFAOYSA-N 1 0 216.284 2.195 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599619400 349228685 /nfs/dbraw/zinc/22/86/85/349228685.db2.gz QZWNWEGDNCIJLR-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO N#Cc1ccc(C[NH+](C2CC2)C2CC2)nc1 ZINC000599600701 349232087 /nfs/dbraw/zinc/23/20/87/349232087.db2.gz XJOZNXLLYVHBNI-UHFFFAOYSA-N 1 0 213.284 2.080 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@H]1C[C@@H](O)C1 ZINC000599656548 349235547 /nfs/dbraw/zinc/23/55/47/349235547.db2.gz XNTVQWPOXYFCKF-BETUJISGSA-N 1 0 238.375 2.409 20 30 BEEDRO CCO[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000599475317 349195359 /nfs/dbraw/zinc/19/53/59/349195359.db2.gz LXCGFYLZGGUDFY-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000599453049 349198852 /nfs/dbraw/zinc/19/88/52/349198852.db2.gz GYVWBHHJIXEISV-MNOVXSKESA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000599526746 349207313 /nfs/dbraw/zinc/20/73/13/349207313.db2.gz RFIPYAIKAQOPDO-GFCCVEGCSA-N 1 0 227.311 2.351 20 30 BEEDRO CO[C@H](C)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676370 349242007 /nfs/dbraw/zinc/24/20/07/349242007.db2.gz BUCVEINQRUPKQG-GFCCVEGCSA-N 1 0 244.338 2.146 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000599674051 349242465 /nfs/dbraw/zinc/24/24/65/349242465.db2.gz ZVXKUSPIMOSELD-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C#N)c1 ZINC000402046213 349266638 /nfs/dbraw/zinc/26/66/38/349266638.db2.gz NJRIQFRQFRLAFF-JTNHKYCSSA-N 1 0 230.311 2.386 20 30 BEEDRO C[C@H]([NH2+]C1CSC1)c1cccc(C#N)c1 ZINC000308986807 349267132 /nfs/dbraw/zinc/26/71/32/349267132.db2.gz JZWQCBVVSWCGBB-VIFPVBQESA-N 1 0 218.325 2.324 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000161006817 349358230 /nfs/dbraw/zinc/35/82/30/349358230.db2.gz NNFDIZSAZGXPGZ-JTQLQIEISA-N 1 0 232.331 2.014 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000352476629 538039427 /nfs/dbraw/zinc/03/94/27/538039427.db2.gz VOOSQGIDWIKOIK-JSGCOSHPSA-N 1 0 240.391 2.435 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000601961709 349402333 /nfs/dbraw/zinc/40/23/33/349402333.db2.gz ZWSNUYAMVSHOQN-RFGFWPKPSA-N 1 0 248.370 2.067 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000185754907 349367207 /nfs/dbraw/zinc/36/72/07/349367207.db2.gz OPKIHXVDBQBLTQ-WCQYABFASA-N 1 0 215.300 2.254 20 30 BEEDRO C[NH2+]CCCOc1ccc(C#N)c(Cl)c1 ZINC000309034659 349369820 /nfs/dbraw/zinc/36/98/20/349369820.db2.gz FEQCNIYVDXXBNH-UHFFFAOYSA-N 1 0 224.691 2.200 20 30 BEEDRO C=CCN(CC=C)C(=O)c1ccccc1CC[NH3+] ZINC000070541571 350018401 /nfs/dbraw/zinc/01/84/01/350018401.db2.gz GIEBCSAIYIKTIH-UHFFFAOYSA-N 1 0 244.338 2.002 20 30 BEEDRO C=CCN(CCC)CC(=O)OC(C)(C)C ZINC000186320169 349421563 /nfs/dbraw/zinc/42/15/63/349421563.db2.gz UKWPLMBVFOBMRA-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO Cc1ccc(C[C@@H](C)[NH2+]CCC#N)s1 ZINC000070633859 350033466 /nfs/dbraw/zinc/03/34/66/350033466.db2.gz IEBGKUNYHDCSHQ-SECBINFHSA-N 1 0 208.330 2.491 20 30 BEEDRO Cc1nc(NCC[N@@H+](C)C(C)C)ccc1C#N ZINC000310138026 180016954 /nfs/dbraw/zinc/01/69/54/180016954.db2.gz BOSOCUGLPQWEIF-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000624038194 350092498 /nfs/dbraw/zinc/09/24/98/350092498.db2.gz VPRRLUWBHXQBGC-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO Cc1nc(N[C@H](C)CC[NH+](C)C)ccc1C#N ZINC000291740124 180024783 /nfs/dbraw/zinc/02/47/83/180024783.db2.gz YMRZZFADKPXJAK-SNVBAGLBSA-N 1 0 232.331 2.014 20 30 BEEDRO CCCN(Cc1cccc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000071314715 350099246 /nfs/dbraw/zinc/09/92/46/350099246.db2.gz DUQOZGFUSFISDO-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO CC(C)SCC[NH+]1CCC(F)(C#N)CC1 ZINC000352458251 535105206 /nfs/dbraw/zinc/10/52/06/535105206.db2.gz IIVGVEVQYLVAFV-UHFFFAOYSA-N 1 0 230.352 2.456 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000155072153 191080364 /nfs/dbraw/zinc/08/03/64/191080364.db2.gz CCJFEOOJPCQFDE-UHFFFAOYSA-N 1 0 231.295 2.261 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000155418509 191080501 /nfs/dbraw/zinc/08/05/01/191080501.db2.gz STTYHKZEOHIMSX-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000156023352 191083246 /nfs/dbraw/zinc/08/32/46/191083246.db2.gz FPGGSGUVXKTJJY-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO C=CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000365441336 350281143 /nfs/dbraw/zinc/28/11/43/350281143.db2.gz GDHFAOBUKVHDEQ-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C(C)(C)CO ZINC000128809039 350306112 /nfs/dbraw/zinc/30/61/12/350306112.db2.gz XMMDLBMYMCACHG-UHFFFAOYSA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccnc(C#N)c1)C1CC1 ZINC000324364714 350294862 /nfs/dbraw/zinc/29/48/62/350294862.db2.gz WMQHMRGJJJAYGT-ZDUSSCGKSA-N 1 0 215.300 2.231 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508451 350349690 /nfs/dbraw/zinc/34/96/90/350349690.db2.gz BYMQJQFVIDGWIP-JTQLQIEISA-N 1 0 218.256 2.221 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OCCOC)cc1 ZINC000154765592 166324260 /nfs/dbraw/zinc/32/42/60/166324260.db2.gz XNEYEBLTRVOZCC-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO CC(C)NC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000262690328 535124911 /nfs/dbraw/zinc/12/49/11/535124911.db2.gz CAVQYOGIVYBENC-AULYBMBSSA-N 1 0 249.333 2.384 20 30 BEEDRO CC#CCC[N@H+](CCO)Cc1ccc(C)cc1 ZINC000158073874 191100176 /nfs/dbraw/zinc/10/01/76/191100176.db2.gz ICQOVQUPMICPDM-UHFFFAOYSA-N 1 0 231.339 2.203 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336676244 350438683 /nfs/dbraw/zinc/43/86/83/350438683.db2.gz MUMBLRBJAKVMRB-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)C[N@H+](C)CCCSCC#N ZINC000336642903 350413639 /nfs/dbraw/zinc/41/36/39/350413639.db2.gz CSPTYAVZVKJIHP-UHFFFAOYSA-N 1 0 200.351 2.221 20 30 BEEDRO N#CCCN1CC[C@@H]1Cc1ccccc1 ZINC000336647625 350416894 /nfs/dbraw/zinc/41/68/94/350416894.db2.gz MOZKDWPSOBCYSD-CYBMUJFWSA-N 1 0 200.285 2.217 20 30 BEEDRO CCC[N@H+](CCCCC#N)CC(C)(C)O ZINC000336650808 350419163 /nfs/dbraw/zinc/41/91/63/350419163.db2.gz TWALZYZBGRUSJE-UHFFFAOYSA-N 1 0 212.337 2.163 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000336667459 350427690 /nfs/dbraw/zinc/42/76/90/350427690.db2.gz GMWTXQPKIDZSNL-CYBMUJFWSA-N 1 0 218.300 2.111 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336703680 350454430 /nfs/dbraw/zinc/45/44/30/350454430.db2.gz MGIGGFDNKJHEAF-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO CC(C)[C@@H]1CN(C)CC[N@@H+]1CCC(C)(C)C#N ZINC000336705098 350456049 /nfs/dbraw/zinc/45/60/49/350456049.db2.gz DJHGGUDJVAYFPM-ZDUSSCGKSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H](C#N)CN(CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000336701555 350458150 /nfs/dbraw/zinc/45/81/50/350458150.db2.gz LSLGNHPNOPRRBX-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO CC1(CN(CCC#N)Cc2ccco2)COC1 ZINC000336684379 350440220 /nfs/dbraw/zinc/44/02/20/350440220.db2.gz FCNWVYWZHQWJSM-UHFFFAOYSA-N 1 0 234.299 2.032 20 30 BEEDRO CN(CCC(C)(C)C#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336717117 350468898 /nfs/dbraw/zinc/46/88/98/350468898.db2.gz XRSCIFWDPXPDDZ-CYBMUJFWSA-N 1 0 235.375 2.095 20 30 BEEDRO CC1(C#N)CC[NH+](CCc2cccnc2)CC1 ZINC000227351396 350492778 /nfs/dbraw/zinc/49/27/78/350492778.db2.gz BTBPQJHMIYFETN-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618571410 350487529 /nfs/dbraw/zinc/48/75/29/350487529.db2.gz LPZAOUPUFSJEBZ-RFGFWPKPSA-N 1 0 236.359 2.473 20 30 BEEDRO CC#CCC[N@@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000163147582 350508192 /nfs/dbraw/zinc/50/81/92/350508192.db2.gz KKITZNRSTGDPAE-KGLIPLIRSA-N 1 0 223.360 2.415 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163167766 350508905 /nfs/dbraw/zinc/50/89/05/350508905.db2.gz PLVVXZTXVIYGCL-MJBXVCDLSA-N 1 0 221.344 2.025 20 30 BEEDRO C=C[C@H](C)Nc1cc(N2CCCC2)ncn1 ZINC000336781958 350511122 /nfs/dbraw/zinc/51/11/22/350511122.db2.gz WERAIZTTZJOBQX-JTQLQIEISA-N 1 0 218.304 2.063 20 30 BEEDRO C[C@H](O)C[N@@H+]1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000336783396 350512667 /nfs/dbraw/zinc/51/26/67/350512667.db2.gz LQIOQQKWJUWVQT-NWANDNLSSA-N 1 0 244.338 2.139 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000163039571 350496813 /nfs/dbraw/zinc/49/68/13/350496813.db2.gz IIPFEXUQOURLLC-LLVKDONJSA-N 1 0 228.299 2.104 20 30 BEEDRO CC[C@H](O)CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443994386 191111123 /nfs/dbraw/zinc/11/11/23/191111123.db2.gz OSHXSNZUBZMZTD-AWEZNQCLSA-N 1 0 232.327 2.117 20 30 BEEDRO N#CCC1(C[NH2+][C@H](CO)C2CCCCC2)CC1 ZINC000386331228 362969046 /nfs/dbraw/zinc/96/90/46/362969046.db2.gz KAECZORCEPQSHV-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000320219874 350599977 /nfs/dbraw/zinc/59/99/77/350599977.db2.gz GUGLXXLSVIBDMQ-YVECIDJPSA-N 1 0 211.349 2.338 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000618575394 350614387 /nfs/dbraw/zinc/61/43/87/350614387.db2.gz GGUYWZIFWVTEBO-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000289888403 350674876 /nfs/dbraw/zinc/67/48/76/350674876.db2.gz SKRPNTIXBIOXTN-OLZOCXBDSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CC[N@@H+](CCCO)Cc1ccccc1 ZINC000051400779 350703571 /nfs/dbraw/zinc/70/35/71/350703571.db2.gz ITDLNHSBHIKRLM-UHFFFAOYSA-N 1 0 205.301 2.057 20 30 BEEDRO C=C(CC)CN(CC(=O)OCC)C(C)C ZINC000097209112 350692589 /nfs/dbraw/zinc/69/25/89/350692589.db2.gz CXNSOCUZOMPOCW-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CC[C@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122329527 362975710 /nfs/dbraw/zinc/97/57/10/362975710.db2.gz PQEHUDYAUASPFW-GJZGRUSLSA-N 1 0 243.354 2.117 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164541947 191120690 /nfs/dbraw/zinc/12/06/90/191120690.db2.gz GPDUFOMISRMPQA-BXUZGUMPSA-N 1 0 232.327 2.226 20 30 BEEDRO CC#CCN(C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000339754188 350818595 /nfs/dbraw/zinc/81/85/95/350818595.db2.gz NCAHBGQZFDPWCX-UHFFFAOYSA-N 1 0 248.282 2.059 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000336653660 191124158 /nfs/dbraw/zinc/12/41/58/191124158.db2.gz GFTKKEIQTPWJHQ-AVGNSLFASA-N 1 0 243.416 2.291 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000336683308 350910750 /nfs/dbraw/zinc/91/07/50/350910750.db2.gz QCHURRCLHSOZLY-UONOGXRCSA-N 1 0 223.360 2.339 20 30 BEEDRO COCC1(C[N@@H+]2CCC[C@H](CC#N)C2)CCC1 ZINC000397702107 350962181 /nfs/dbraw/zinc/96/21/81/350962181.db2.gz MFWCQWOIUZSWSG-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC12CCCC2 ZINC000336688976 350974946 /nfs/dbraw/zinc/97/49/46/350974946.db2.gz VFOLWKHFTKOUHG-STQMWFEESA-N 1 0 223.360 2.483 20 30 BEEDRO CC[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)OC ZINC000397831335 350976158 /nfs/dbraw/zinc/97/61/58/350976158.db2.gz WZFSNEBVHBBICF-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CS1 ZINC000397907595 350988464 /nfs/dbraw/zinc/98/84/64/350988464.db2.gz YGIZPZVSXAEJOX-ZJUUUORDSA-N 1 0 210.346 2.164 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000397604009 350957426 /nfs/dbraw/zinc/95/74/26/350957426.db2.gz GUXSEJLGWOONJO-CQSZACIVSA-N 1 0 229.327 2.250 20 30 BEEDRO CC#CC[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC000336723312 351260299 /nfs/dbraw/zinc/26/02/99/351260299.db2.gz AQXRFUDJYYRISP-ZDUSSCGKSA-N 1 0 221.275 2.126 20 30 BEEDRO CC(C)OCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336722854 351218969 /nfs/dbraw/zinc/21/89/69/351218969.db2.gz AYVAKGXEXGVSFY-QWHCGFSZSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000628352556 351316662 /nfs/dbraw/zinc/31/66/62/351316662.db2.gz MRNIQCNFGCSOPR-TZMCWYRMSA-N 1 0 219.328 2.235 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)C(C)(C)C ZINC000336724780 351387435 /nfs/dbraw/zinc/38/74/35/351387435.db2.gz FSQJVXDKSZFNDY-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000353402146 351395012 /nfs/dbraw/zinc/39/50/12/351395012.db2.gz JUTNLMUVXXMDOD-RYUDHWBXSA-N 1 0 242.326 2.492 20 30 BEEDRO C#CCOc1ccccc1CN(C)C[C@@H](C)C#N ZINC000271137062 351403741 /nfs/dbraw/zinc/40/37/41/351403741.db2.gz SJTCHZZKTXXUBD-ZDUSSCGKSA-N 1 0 242.322 2.290 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccnc(OC)n1 ZINC000623592785 363028317 /nfs/dbraw/zinc/02/83/17/363028317.db2.gz ASDRLXADDSRDCJ-UHFFFAOYSA-N 1 0 235.331 2.177 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)cnn1C ZINC000623593064 363029527 /nfs/dbraw/zinc/02/95/27/363029527.db2.gz RPLKVYRUHXTLAC-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO Cc1nc(CCN(C)C[C@@H](C)C#N)cs1 ZINC000271344906 351412971 /nfs/dbraw/zinc/41/29/71/351412971.db2.gz XQKROLRUUCRWQV-VIFPVBQESA-N 1 0 223.345 2.086 20 30 BEEDRO Cn1cccc1C[NH+]1CCC(C)(C#N)CC1 ZINC000272480022 351479162 /nfs/dbraw/zinc/47/91/62/351479162.db2.gz CAISSEDIERWPOB-UHFFFAOYSA-N 1 0 217.316 2.151 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCC#N)c1 ZINC000273347947 351520470 /nfs/dbraw/zinc/52/04/70/351520470.db2.gz PHZUMQWGIDMZIC-UHFFFAOYSA-N 1 0 230.315 2.334 20 30 BEEDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC#N ZINC000273442803 351529491 /nfs/dbraw/zinc/52/94/91/351529491.db2.gz WUPIHHLMYNASEI-UHFFFAOYSA-N 1 0 233.271 2.297 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@@H](C)O ZINC000386913525 363060813 /nfs/dbraw/zinc/06/08/13/363060813.db2.gz QJBCRUTZHSCEAW-GYSYKLTISA-N 1 0 232.327 2.368 20 30 BEEDRO COC[C@@H](Cc1ccccc1)[NH2+]CCCC#N ZINC000273282885 351515029 /nfs/dbraw/zinc/51/50/29/351515029.db2.gz QSQJAEBYXWOCNF-CQSZACIVSA-N 1 0 232.327 2.137 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCC(C)(C)O)cc1C ZINC000274721797 351578603 /nfs/dbraw/zinc/57/86/03/351578603.db2.gz AVBBFLXMAXQGJZ-UHFFFAOYSA-N 1 0 249.358 2.191 20 30 BEEDRO C=CC[NH+](CC=C)CCc1cccnc1 ZINC000172167164 166335772 /nfs/dbraw/zinc/33/57/72/166335772.db2.gz BSFIFWXXBHFISE-UHFFFAOYSA-N 1 0 202.301 2.298 20 30 BEEDRO N#CCCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000276654801 351641581 /nfs/dbraw/zinc/64/15/81/351641581.db2.gz UUQGHKPQTXIEMY-UHFFFAOYSA-N 1 0 240.310 2.266 20 30 BEEDRO CC(C)(C)CN(CCC#N)Cc1cnccn1 ZINC000577715738 366041084 /nfs/dbraw/zinc/04/10/84/366041084.db2.gz VNWCNOQRLAHWKV-UHFFFAOYSA-N 1 0 232.331 2.238 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000278778043 351783010 /nfs/dbraw/zinc/78/30/10/351783010.db2.gz ZENPKMPNXMFAJB-WCQYABFASA-N 1 0 244.342 2.281 20 30 BEEDRO CO[C@H](CNC(=[NH2+])Nc1ccccc1)C(C)(C)C ZINC000072914234 351759308 /nfs/dbraw/zinc/75/93/08/351759308.db2.gz YVYRWKHAUDEQCR-GFCCVEGCSA-N 1 0 249.358 2.474 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000072924708 351764005 /nfs/dbraw/zinc/76/40/05/351764005.db2.gz RGDIUHQULWPFNJ-AWEZNQCLSA-N 1 0 232.327 2.319 20 30 BEEDRO C=CCOc1ccc(CNC[C@H]([NH3+])C(C)C)cc1 ZINC000414791202 351772881 /nfs/dbraw/zinc/77/28/81/351772881.db2.gz HIPYTKDTEDPZEF-HNNXBMFYSA-N 1 0 248.370 2.324 20 30 BEEDRO CN(Cc1cscn1)[C@@H]1CC[C@H](C#N)C1 ZINC000278651260 351774664 /nfs/dbraw/zinc/77/46/64/351774664.db2.gz PVTCSNBMZBWRHG-GXSJLCMTSA-N 1 0 221.329 2.267 20 30 BEEDRO Cn1cc(C[NH2+]C[C@@]2(C)CCCS2)cc1C#N ZINC000189596663 180650484 /nfs/dbraw/zinc/65/04/84/180650484.db2.gz VFLJKJUCNDOXDO-CYBMUJFWSA-N 1 0 249.383 2.272 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280559961 351850715 /nfs/dbraw/zinc/85/07/15/351850715.db2.gz KFZXRQQHKZJIGZ-HDJSIYSDSA-N 1 0 245.370 2.493 20 30 BEEDRO C[C@@H]1CCN(C)CC[N@@H+]1CC(C)(C)CCC#N ZINC000353461751 351935492 /nfs/dbraw/zinc/93/54/92/351935492.db2.gz NOEZYQDQABWFRB-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000336734871 351898750 /nfs/dbraw/zinc/89/87/50/351898750.db2.gz NQQHBXORXWSRMJ-RKDXNWHRSA-N 1 0 214.259 2.314 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](CC)c1ccccc1 ZINC000336735351 351906547 /nfs/dbraw/zinc/90/65/47/351906547.db2.gz LSWIQNJBNHOTAX-TZMCWYRMSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnnn1C ZINC000336738316 351984403 /nfs/dbraw/zinc/98/44/03/351984403.db2.gz OAWIWKVWVIOTEX-LLVKDONJSA-N 1 0 222.336 2.040 20 30 BEEDRO N#CCCN(CCc1cscn1)CC1CC1 ZINC000283915946 351986771 /nfs/dbraw/zinc/98/67/71/351986771.db2.gz JYQVIXFKTMGZMV-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](OC)c1ccccc1 ZINC000284480110 351998032 /nfs/dbraw/zinc/99/80/32/351998032.db2.gz TUXNVLKDZYELCW-AWEZNQCLSA-N 1 0 217.312 2.329 20 30 BEEDRO N#CCCCC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285587304 352052019 /nfs/dbraw/zinc/05/20/19/352052019.db2.gz UIIINKBNTMCEGH-UHFFFAOYSA-N 1 0 246.310 2.280 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000307324908 352020461 /nfs/dbraw/zinc/02/04/61/352020461.db2.gz SIUVLSJMTDLRRI-IDKOKCKLSA-N 1 0 201.260 2.422 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000273391277 187575827 /nfs/dbraw/zinc/57/58/27/187575827.db2.gz DRAQPCRKPNKKJI-SMDDNHRTSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C(CNC(=[NH2+])N[C@@H](C)CC)c1ccccc1 ZINC000287236801 352118606 /nfs/dbraw/zinc/11/86/06/352118606.db2.gz OKCYQMXIGDMDIB-LBPRGKRZSA-N 1 0 231.343 2.403 20 30 BEEDRO COc1cc([C@@H](C)[NH2+]CCCC#N)c(F)cn1 ZINC000287725257 352132901 /nfs/dbraw/zinc/13/29/01/352132901.db2.gz OVMTUUKRHKVLEN-SECBINFHSA-N 1 0 237.278 2.184 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000618887628 352161179 /nfs/dbraw/zinc/16/11/79/352161179.db2.gz HIHXYLFZMCIHNY-XJFOESAGSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@@H](C)CCC#N ZINC000618888216 352165879 /nfs/dbraw/zinc/16/58/79/352165879.db2.gz ULVSKIIFFOZZDE-UONOGXRCSA-N 1 0 237.391 2.198 20 30 BEEDRO C#CCN(Cc1c[nH]nc1C)Cc1ccccc1 ZINC000289803305 352198863 /nfs/dbraw/zinc/19/88/63/352198863.db2.gz SMWGJPKNAQIGHE-UHFFFAOYSA-N 1 0 239.322 2.354 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccncc1F ZINC000340318712 352187733 /nfs/dbraw/zinc/18/77/33/352187733.db2.gz WYGXNPDMTPQJHZ-MNOVXSKESA-N 1 0 238.306 2.056 20 30 BEEDRO C=C(C)CN(CC)[C@@H](C)c1nnc(C)[nH]1 ZINC000411158442 191163008 /nfs/dbraw/zinc/16/30/08/191163008.db2.gz TWLAGIQJGSPFSN-VIFPVBQESA-N 1 0 208.309 2.072 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638400147 352205424 /nfs/dbraw/zinc/20/54/24/352205424.db2.gz HPFSFMCLQPFMCR-KWCYVHTRSA-N 1 0 248.370 2.285 20 30 BEEDRO CC[NH+]1CCN(CCC2(C#N)CCCCC2)CC1 ZINC000411149343 191164863 /nfs/dbraw/zinc/16/48/63/191164863.db2.gz QIRJDKDRVLAZSB-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCCC#N ZINC000613388434 363153921 /nfs/dbraw/zinc/15/39/21/363153921.db2.gz ACRBLVYDJFUWGQ-JSGCOSHPSA-N 1 0 232.327 2.044 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](C)[NH2+]CCC ZINC000638454617 352263660 /nfs/dbraw/zinc/26/36/60/352263660.db2.gz KAKPUJQTGODNJP-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000638454516 352263874 /nfs/dbraw/zinc/26/38/74/352263874.db2.gz HZPYRMLCCIPEJY-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCc1cnccn1 ZINC000336739083 352319075 /nfs/dbraw/zinc/31/90/75/352319075.db2.gz OUHNETOJPMNCEF-GFCCVEGCSA-N 1 0 219.332 2.354 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189262674 363174373 /nfs/dbraw/zinc/17/43/73/363174373.db2.gz ICNVLGJAISGJDW-JTQLQIEISA-N 1 0 237.265 2.198 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)C[C@H](C)O1 ZINC000411257214 191172840 /nfs/dbraw/zinc/17/28/40/191172840.db2.gz KDBCKGPTHGSVDR-GRYCIOLGSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)C[C@H]1CCCOC1 ZINC000411285057 191173747 /nfs/dbraw/zinc/17/37/47/191173747.db2.gz ZOCWOOKXRGIUTG-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CC1(CC[N@H+]2CC[C@@H](CO)C2)CCCCC1 ZINC000411280912 191173991 /nfs/dbraw/zinc/17/39/91/191173991.db2.gz GMQFSOWBTNOLQG-CYBMUJFWSA-N 1 0 236.359 2.165 20 30 BEEDRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411299244 191175145 /nfs/dbraw/zinc/17/51/45/191175145.db2.gz AEMVMKUSEPHBKB-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@@H](CCC)OC)CC1 ZINC000638524683 352356467 /nfs/dbraw/zinc/35/64/67/352356467.db2.gz QVSXJFREHDRYEZ-CQSZACIVSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411449657 191187467 /nfs/dbraw/zinc/18/74/67/191187467.db2.gz XMBJABLDOOSYRW-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO COCC1(C)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411456453 191187791 /nfs/dbraw/zinc/18/77/91/191187791.db2.gz ZNYKIMXSFADHBQ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOc1ccccc1CNC[C@@H](C)[NH2+]CC ZINC000414955720 352374936 /nfs/dbraw/zinc/37/49/36/352374936.db2.gz MQYVPRIADOJXHE-CYBMUJFWSA-N 1 0 248.370 2.339 20 30 BEEDRO C=CCCC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638546049 352376502 /nfs/dbraw/zinc/37/65/02/352376502.db2.gz YQEGMQCVUKGZAU-UHFFFAOYSA-N 1 0 244.338 2.391 20 30 BEEDRO C[C@@H]([NH2+]CCC#N)[C@@H]1COc2ccccc21 ZINC000411526971 191191153 /nfs/dbraw/zinc/19/11/53/191191153.db2.gz CZCIDJUVYJECMY-PWSUYJOCSA-N 1 0 216.284 2.054 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000411399607 191182640 /nfs/dbraw/zinc/18/26/40/191182640.db2.gz ROFJKVQJSLDXIQ-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000411406633 191185489 /nfs/dbraw/zinc/18/54/89/191185489.db2.gz JTDWUVUZTAATRL-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411740840 191208047 /nfs/dbraw/zinc/20/80/47/191208047.db2.gz YRSYNNRBYSYNRA-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC#N ZINC000411632136 191199157 /nfs/dbraw/zinc/19/91/57/191199157.db2.gz OUERWHCHRHABQR-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCSC[C@@H](C)C1 ZINC000411636211 191199513 /nfs/dbraw/zinc/19/95/13/191199513.db2.gz RJEUEMOVZJHUSR-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO CCCC[C@@H](C[NH3+])Nc1c(C#N)cccc1C#N ZINC000420205621 192175430 /nfs/dbraw/zinc/17/54/30/192175430.db2.gz NQHQAUYNUCJGHQ-ZDUSSCGKSA-N 1 0 242.326 2.359 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C[C@@H](F)CC ZINC000411642846 191202116 /nfs/dbraw/zinc/20/21/16/191202116.db2.gz HQAGZAULGSJEIC-LBPRGKRZSA-N 1 0 216.344 2.174 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)[C@@H]1CC[C@H](C#N)C1 ZINC000411649932 191202254 /nfs/dbraw/zinc/20/22/54/191202254.db2.gz SHRVJAOTTKNILU-UONOGXRCSA-N 1 0 235.375 2.118 20 30 BEEDRO C[NH+](C)CCNc1nc(C(C)(C)C)ccc1C#N ZINC000613409178 363187159 /nfs/dbraw/zinc/18/71/59/363187159.db2.gz IJXJSGCFSBHHPC-UHFFFAOYSA-N 1 0 246.358 2.224 20 30 BEEDRO C[C@H](CCC#N)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000411722515 191206356 /nfs/dbraw/zinc/20/63/56/191206356.db2.gz VDZXOKCYPGWGGU-MGPQQGTHSA-N 1 0 235.375 2.237 20 30 BEEDRO CCC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528358260 323804500 /nfs/dbraw/zinc/80/45/00/323804500.db2.gz ZKVPWYGEKDNPNJ-CYBMUJFWSA-N 1 0 236.359 2.163 20 30 BEEDRO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411740837 191207361 /nfs/dbraw/zinc/20/73/61/191207361.db2.gz YRSYNNRBYSYNRA-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)N(CCC#N)CC[NH+]1CCCCCC1 ZINC000411728535 191207410 /nfs/dbraw/zinc/20/74/10/191207410.db2.gz LDRYOJVSDWJAGA-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO CC(C)[C@H]([NH2+]CCC#N)C1(CO)CCCC1 ZINC000411815946 191212922 /nfs/dbraw/zinc/21/29/22/191212922.db2.gz KQJGPHBZQVISMI-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000411763185 191208798 /nfs/dbraw/zinc/20/87/98/191208798.db2.gz YOZOYDZRXGOMGZ-KBUPBQIOSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000411764440 191209280 /nfs/dbraw/zinc/20/92/80/191209280.db2.gz FRBBXTLLQFFOBX-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000411762704 191209417 /nfs/dbraw/zinc/20/94/17/191209417.db2.gz XPDCDHRTWJRWNW-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000411780638 191209647 /nfs/dbraw/zinc/20/96/47/191209647.db2.gz ALBIVLVQTROOLV-AAVRWANBSA-N 1 0 236.359 2.162 20 30 BEEDRO CC(C)[C@H]1C[N@@H+]([C@@H](C)CCC#N)CCCO1 ZINC000411773449 191210952 /nfs/dbraw/zinc/21/09/52/191210952.db2.gz STEGRYUAXPFJEX-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000411798419 191211570 /nfs/dbraw/zinc/21/15/70/191211570.db2.gz VJZXDPUTUIXBOX-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H]1CCCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528459043 352498538 /nfs/dbraw/zinc/49/85/38/352498538.db2.gz TXTQIHUVYGUTJP-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000232316095 352618269 /nfs/dbraw/zinc/61/82/69/352618269.db2.gz WOFWWJSPWPCVMF-ZYHUDNBSSA-N 1 0 217.316 2.175 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000638757265 352688086 /nfs/dbraw/zinc/68/80/86/352688086.db2.gz IVYJMAAHFMFARD-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638757024 352688249 /nfs/dbraw/zinc/68/82/49/352688249.db2.gz GVBBOJVRTHUERO-NXEZZACHSA-N 1 0 219.275 2.212 20 30 BEEDRO CO[C@](C)([C@H](C)[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000411973043 191233189 /nfs/dbraw/zinc/23/31/89/191233189.db2.gz QYYASYXFVBUWSF-WCQYABFASA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411956929 191233913 /nfs/dbraw/zinc/23/39/13/191233913.db2.gz RTIHIILXPLEHSV-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000412047147 191244544 /nfs/dbraw/zinc/24/45/44/191244544.db2.gz RYYUFCHOXPGBST-NEPJUHHUSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411961230 191235074 /nfs/dbraw/zinc/23/50/74/191235074.db2.gz ZPXWVEDOHMCJQU-ZIAGYGMSSA-N 1 0 217.312 2.370 20 30 BEEDRO C=CCN1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000411993545 191236054 /nfs/dbraw/zinc/23/60/54/191236054.db2.gz XBVUSEXNHYLZLO-AWEZNQCLSA-N 1 0 230.355 2.379 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411993389 191236123 /nfs/dbraw/zinc/23/61/23/191236123.db2.gz ZFKWENZMKLTWDM-KGLIPLIRSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000303708794 352699534 /nfs/dbraw/zinc/69/95/34/352699534.db2.gz NIKQAOJGROQIFC-GFCCVEGCSA-N 1 0 231.343 2.233 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412045564 191243293 /nfs/dbraw/zinc/24/32/93/191243293.db2.gz XYXSZIHJJNAVCW-SLEUVZQESA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336745343 352730663 /nfs/dbraw/zinc/73/06/63/352730663.db2.gz QRUOUYVWQRAIRE-NDBYEHHHSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000336746810 352742876 /nfs/dbraw/zinc/74/28/76/352742876.db2.gz BZPPCVWOTGDEAC-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]CC(C)(C)CCC#N ZINC000336747146 352746929 /nfs/dbraw/zinc/74/69/29/352746929.db2.gz RVEWXQHJQFMQSE-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO C[C@H]1CC[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000334173920 352758977 /nfs/dbraw/zinc/75/89/77/352758977.db2.gz AGOBXHFCJBXWEQ-ZDUSSCGKSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)[C@H]([C@H](C)CC)C1 ZINC000270024293 166356428 /nfs/dbraw/zinc/35/64/28/166356428.db2.gz SRQKPOGZFFMBDT-KGLIPLIRSA-N 1 0 222.376 2.391 20 30 BEEDRO C=C(C)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000334270164 352906300 /nfs/dbraw/zinc/90/63/00/352906300.db2.gz RUKOSAYLLAYBIJ-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@H]1COC(C)(C)C[N@@H+]1CCC(C)(C)C#N ZINC000334293324 352930668 /nfs/dbraw/zinc/93/06/68/352930668.db2.gz PVUJMWIRDBWDMU-NSHDSACASA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC(C)(C)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000334262062 352894987 /nfs/dbraw/zinc/89/49/87/352894987.db2.gz UVGOGUGUPPNATK-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1 ZINC000334264227 352897872 /nfs/dbraw/zinc/89/78/72/352897872.db2.gz KTFHCOKJOVTQSA-DGCLKSJQSA-N 1 0 244.342 2.281 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638812147 352990778 /nfs/dbraw/zinc/99/07/78/352990778.db2.gz SAIWMYKIUONPPZ-CLLJXQQHSA-N 1 0 209.333 2.215 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000336748228 352943817 /nfs/dbraw/zinc/94/38/17/352943817.db2.gz SNMJLRHSCONIMZ-AEJSXWLSSA-N 1 0 239.281 2.490 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC#N)C1 ZINC000334331930 352968906 /nfs/dbraw/zinc/96/89/06/352968906.db2.gz QHZLHGWHXISYJV-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000638828841 353007900 /nfs/dbraw/zinc/00/79/00/353007900.db2.gz HMSQBCGLLQZILB-ZOBORPQBSA-N 1 0 223.360 2.197 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1nc2ccccc2o1 ZINC000638830349 353009485 /nfs/dbraw/zinc/00/94/85/353009485.db2.gz OWPUJMGFAQCMDX-NSHDSACASA-N 1 0 246.310 2.102 20 30 BEEDRO C=CCCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577853651 366085241 /nfs/dbraw/zinc/08/52/41/366085241.db2.gz OPTHXCNELWFNEK-AWEZNQCLSA-N 1 0 244.338 2.037 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CCC[NH2+]C ZINC000638875243 353041479 /nfs/dbraw/zinc/04/14/79/353041479.db2.gz PVJANAGGVIRQBZ-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000638873518 353043763 /nfs/dbraw/zinc/04/37/63/353043763.db2.gz AVVSOAIYZIALDC-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1n[nH]c(C)c1[C@@H]1CCCN1CC1(C#N)CC1 ZINC000334472633 353118125 /nfs/dbraw/zinc/11/81/25/353118125.db2.gz KNGPQWQYNDYHLR-LBPRGKRZSA-N 1 0 244.342 2.467 20 30 BEEDRO CCOC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336753561 353107529 /nfs/dbraw/zinc/10/75/29/353107529.db2.gz FAJBXYBHLNSEFV-UPJWGTAASA-N 1 0 224.348 2.329 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1C)CC(C)(C)O ZINC000160107968 353138354 /nfs/dbraw/zinc/13/83/54/353138354.db2.gz FZAZTYOZMPNYSG-UHFFFAOYSA-N 1 0 246.354 2.460 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000336261512 188054215 /nfs/dbraw/zinc/05/42/15/188054215.db2.gz HFZAWATVRGJDRZ-CYBMUJFWSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CCC(F)(F)F ZINC000336756326 353154307 /nfs/dbraw/zinc/15/43/07/353154307.db2.gz JHWYCPDKSQGTHI-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO COC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000336759408 353169599 /nfs/dbraw/zinc/16/95/99/353169599.db2.gz IXHMKSZMRFFBNA-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000336759991 353170011 /nfs/dbraw/zinc/17/00/11/353170011.db2.gz LVNOSPIOBKHCKQ-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO CCc1cnc(C[NH2+]CCCCC#N)s1 ZINC000336761090 353173436 /nfs/dbraw/zinc/17/34/36/353173436.db2.gz MHXKNDOHKQOUIA-UHFFFAOYSA-N 1 0 223.345 2.489 20 30 BEEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000330837412 353185414 /nfs/dbraw/zinc/18/54/14/353185414.db2.gz MCUJXAXDQOOJTN-BFHYXJOUSA-N 1 0 236.359 2.209 20 30 BEEDRO COCCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336763141 353214026 /nfs/dbraw/zinc/21/40/26/353214026.db2.gz LZNDNSFYQVRFRV-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1cc(OC)ccc1OC ZINC000070197464 353253942 /nfs/dbraw/zinc/25/39/42/353253942.db2.gz BONVLOCDURXGHB-LLVKDONJSA-N 1 0 233.311 2.378 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1F ZINC000336764782 353257524 /nfs/dbraw/zinc/25/75/24/353257524.db2.gz QLXHYRIMJOBOFY-UWVGGRQHSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926309 353239751 /nfs/dbraw/zinc/23/97/51/353239751.db2.gz HLSIFIFUVSOWLV-UHFFFAOYSA-N 1 0 206.245 2.261 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638997111 353243075 /nfs/dbraw/zinc/24/30/75/353243075.db2.gz FWOOLOBAPZDFDH-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C#CCCN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000127384674 353270466 /nfs/dbraw/zinc/27/04/66/353270466.db2.gz SQPCSDYJKWXQOU-HNNXBMFYSA-N 1 0 242.366 2.389 20 30 BEEDRO C=CCCC[N@@H+](CCC)CC(=O)OCC ZINC000071278109 353264627 /nfs/dbraw/zinc/26/46/27/353264627.db2.gz XNFLTRAKYNEATL-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000160760351 353268721 /nfs/dbraw/zinc/26/87/21/353268721.db2.gz LDOPZGFZYLDPHE-UHFFFAOYSA-N 1 0 219.284 2.124 20 30 BEEDRO COCC[C@H]([NH2+]CCCC#N)C(C)(C)C ZINC000336769338 353285140 /nfs/dbraw/zinc/28/51/40/353285140.db2.gz UUXGFCHUGIQSOD-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)[C@@H](C)COC ZINC000072610669 353279822 /nfs/dbraw/zinc/27/98/22/353279822.db2.gz ZEJRQKRXZITDGZ-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO C=C1CC[NH+](CCc2cccnc2)CC1 ZINC000265119675 188261094 /nfs/dbraw/zinc/26/10/94/188261094.db2.gz JQCLZLKFEBHXOZ-UHFFFAOYSA-N 1 0 202.301 2.276 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)cc1 ZINC000268931825 188262190 /nfs/dbraw/zinc/26/21/90/188262190.db2.gz ZRIWJJGJVYTEMJ-OLZOCXBDSA-N 1 0 247.338 2.120 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270577156 188262274 /nfs/dbraw/zinc/26/22/74/188262274.db2.gz IBENHLYYYCJLJJ-QWHCGFSZSA-N 1 0 233.311 2.191 20 30 BEEDRO C#CCC[NH2+][C@H](COC)c1ccc(F)c(F)c1 ZINC000271841405 188263304 /nfs/dbraw/zinc/26/33/04/188263304.db2.gz ZHXRVFLFHVXCEO-CYBMUJFWSA-N 1 0 239.265 2.265 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000273488847 188264088 /nfs/dbraw/zinc/26/40/88/188264088.db2.gz WIMPPUGMBUXOFV-ABAIWWIYSA-N 1 0 247.338 2.304 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000273505945 188264184 /nfs/dbraw/zinc/26/41/84/188264184.db2.gz WCOOUTHNFBJVBP-RISCZKNCSA-N 1 0 237.318 2.456 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000279715278 188267904 /nfs/dbraw/zinc/26/79/04/188267904.db2.gz LQDABKCWJMCZNX-CQSZACIVSA-N 1 0 217.312 2.372 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000069767494 188285266 /nfs/dbraw/zinc/28/52/66/188285266.db2.gz JKAUSUPMHLKGJN-NSHDSACASA-N 1 0 203.285 2.369 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccncc1 ZINC000619672976 363215840 /nfs/dbraw/zinc/21/58/40/363215840.db2.gz UFMNNIWFXFETIX-YRGRVCCFSA-N 1 0 229.327 2.467 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1ccn(C)n1 ZINC000336773608 353331035 /nfs/dbraw/zinc/33/10/35/353331035.db2.gz YUOHYHDNZFYSCX-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)OC(C)C ZINC000075625414 353322915 /nfs/dbraw/zinc/32/29/15/353322915.db2.gz JJZYLUHYYDRQCJ-UHFFFAOYSA-N 1 0 211.305 2.002 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1ccc(C)cc1 ZINC000639044301 353329368 /nfs/dbraw/zinc/32/93/68/353329368.db2.gz KALDGNKEXVIIAJ-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000076737167 353340807 /nfs/dbraw/zinc/34/08/07/353340807.db2.gz QKMRZPVCDGENQD-CQSZACIVSA-N 1 0 249.354 2.324 20 30 BEEDRO CCC(N)=[NH+]OCCCc1cccc(OC)c1 ZINC000268448507 535226081 /nfs/dbraw/zinc/22/60/81/535226081.db2.gz LXIMTHAIRMIQEU-UHFFFAOYSA-N 1 0 236.315 2.327 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000131618431 353371416 /nfs/dbraw/zinc/37/14/16/353371416.db2.gz OWUGBQJHEFVDDM-BZNIZROVSA-N 1 0 235.352 2.098 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[NH3+])c2ccccc21 ZINC000639068603 353378027 /nfs/dbraw/zinc/37/80/27/353378027.db2.gz XXEBZSJITQYOIR-LBPRGKRZSA-N 1 0 244.338 2.432 20 30 BEEDRO C=CCSCC[NH2+][C@H](CC)c1nccn1C ZINC000132254403 353378378 /nfs/dbraw/zinc/37/83/78/353378378.db2.gz ISTWRFGJFZUTQS-LLVKDONJSA-N 1 0 239.388 2.380 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000290018784 353380079 /nfs/dbraw/zinc/38/00/79/353380079.db2.gz ZKUJDPPLQUHJDE-LLVKDONJSA-N 1 0 245.244 2.342 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000132740259 353384093 /nfs/dbraw/zinc/38/40/93/353384093.db2.gz YRBZKTHNQVECHC-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000132924536 353389479 /nfs/dbraw/zinc/38/94/79/353389479.db2.gz SZVMESLARCIHSS-GFCCVEGCSA-N 1 0 237.368 2.433 20 30 BEEDRO CC(C)[N@@H+]1CCCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334509595 353419899 /nfs/dbraw/zinc/41/98/99/353419899.db2.gz QYJBWBXRKCGVKZ-UONOGXRCSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000280005001 353420950 /nfs/dbraw/zinc/42/09/50/353420950.db2.gz VQTDOUKCIDNULO-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000190526378 353400891 /nfs/dbraw/zinc/40/08/91/353400891.db2.gz VIATWTHPWDEIEW-CXQJBGSLSA-N 1 0 238.331 2.000 20 30 BEEDRO CC#CCN1CCC=C(c2ccccn2)C1 ZINC000514774571 324112058 /nfs/dbraw/zinc/11/20/58/324112058.db2.gz CCBFHZRZBBDPMV-UHFFFAOYSA-N 1 0 212.296 2.194 20 30 BEEDRO C=CC[N@@H+](C)Cc1cn(C(C)C)nc1C ZINC000281248776 353439721 /nfs/dbraw/zinc/43/97/21/353439721.db2.gz MLEKFHQPSCTIRK-UHFFFAOYSA-N 1 0 207.321 2.390 20 30 BEEDRO C=C(C)C[NH2+]Cc1nc2ccccc2o1 ZINC000639089090 353445166 /nfs/dbraw/zinc/44/51/66/353445166.db2.gz MTQWTRGXVSIXJI-UHFFFAOYSA-N 1 0 202.257 2.494 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000281489533 353448970 /nfs/dbraw/zinc/44/89/70/353448970.db2.gz VZIXFDTYFSMBPW-LLVKDONJSA-N 1 0 236.315 2.246 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CC=CCC2)C1=O ZINC000281122158 353430465 /nfs/dbraw/zinc/43/04/65/353430465.db2.gz CEMNFIVVIPIECS-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000280983155 353432605 /nfs/dbraw/zinc/43/26/05/353432605.db2.gz LJFNACNEYFZUMI-AWEZNQCLSA-N 1 0 232.327 2.249 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)OC)c1 ZINC000191151062 353438968 /nfs/dbraw/zinc/43/89/68/353438968.db2.gz OOLMTAXRSUCLTR-LBPRGKRZSA-N 1 0 235.327 2.376 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)CC#N)[C@@H]1SC ZINC000336777170 353482860 /nfs/dbraw/zinc/48/28/60/353482860.db2.gz HPFDHPMQIGUUQZ-KXNHARMFSA-N 1 0 242.388 2.177 20 30 BEEDRO CCOCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000093315591 353484482 /nfs/dbraw/zinc/48/44/82/353484482.db2.gz XHFDLOQKYZZXJV-UHFFFAOYSA-N 1 0 235.302 2.146 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CC1 ZINC000282249343 353472755 /nfs/dbraw/zinc/47/27/55/353472755.db2.gz JMDMJQRXWJXHEU-UHFFFAOYSA-N 1 0 240.306 2.164 20 30 BEEDRO C=CCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000283942264 353506935 /nfs/dbraw/zinc/50/69/35/353506935.db2.gz BHEYMCVNFAKHOO-HNNXBMFYSA-N 1 0 230.355 2.031 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000160198045 353518242 /nfs/dbraw/zinc/51/82/42/353518242.db2.gz OIIWANCDVSIVNI-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000191935922 353522615 /nfs/dbraw/zinc/52/26/15/353522615.db2.gz FHZBJTGSSMGKLF-LBPRGKRZSA-N 1 0 235.327 2.146 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000192006793 353531409 /nfs/dbraw/zinc/53/14/09/353531409.db2.gz RAIHJUYKZZSWDU-OLZOCXBDSA-N 1 0 246.354 2.185 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000061778746 353531782 /nfs/dbraw/zinc/53/17/82/353531782.db2.gz NOEDIIDNMHWJDH-UHFFFAOYSA-N 1 0 221.300 2.322 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285309182 353533258 /nfs/dbraw/zinc/53/32/58/353533258.db2.gz HYBZEHLCAAFAPF-JSGCOSHPSA-N 1 0 249.358 2.264 20 30 BEEDRO C#CCCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285371663 353534422 /nfs/dbraw/zinc/53/44/22/353534422.db2.gz QYODYHNWCOQMMG-UHFFFAOYSA-N 1 0 246.310 2.483 20 30 BEEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C1(CO)CC1 ZINC000285348057 353534671 /nfs/dbraw/zinc/53/46/71/353534671.db2.gz AQNPYLPFMRTDDB-UHFFFAOYSA-N 1 0 249.741 2.148 20 30 BEEDRO C=CC[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285368475 353534884 /nfs/dbraw/zinc/53/48/84/353534884.db2.gz AVMBBTPMFFACCK-UHFFFAOYSA-N 1 0 203.285 2.375 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285732857 353541346 /nfs/dbraw/zinc/54/13/46/353541346.db2.gz QTBZMRHTXOBIAF-NSHDSACASA-N 1 0 221.304 2.481 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183842877 353584936 /nfs/dbraw/zinc/58/49/36/353584936.db2.gz QUBOPVTXCJZXES-NWDGAFQWSA-N 1 0 248.374 2.305 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287909701 353593641 /nfs/dbraw/zinc/59/36/41/353593641.db2.gz VJFLFPMSYMUTAS-HNNXBMFYSA-N 1 0 244.338 2.086 20 30 BEEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286226304 353553537 /nfs/dbraw/zinc/55/35/37/353553537.db2.gz YXZSCEDXJCHHQG-BZUAXINKSA-N 1 0 241.334 2.124 20 30 BEEDRO C#CC(C)(C)N(C)Cc1ncc(C2CC2)o1 ZINC000286137251 353557564 /nfs/dbraw/zinc/55/75/64/353557564.db2.gz MZCKARZMZUFXCB-UHFFFAOYSA-N 1 0 218.300 2.396 20 30 BEEDRO C=CC[NH+](CC=C)CC1CC(OCC)C1 ZINC000286130372 353557692 /nfs/dbraw/zinc/55/76/92/353557692.db2.gz WJHQLEIVDWPAGX-UHFFFAOYSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2occc2c1 ZINC000286176468 353558548 /nfs/dbraw/zinc/55/85/48/353558548.db2.gz WZZRJZXAACVOLG-ZDUSSCGKSA-N 1 0 231.295 2.459 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000286348117 353559397 /nfs/dbraw/zinc/55/93/97/353559397.db2.gz GUEOVGNCHMVKGW-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C#N)cc1F ZINC000135628125 353568268 /nfs/dbraw/zinc/56/82/68/353568268.db2.gz MWHFLNQBKHJLPN-UHFFFAOYSA-N 1 0 216.259 2.200 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000289652553 353624894 /nfs/dbraw/zinc/62/48/94/353624894.db2.gz GIBNAENIMQAGKC-PELKAZGASA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC000289666322 353625990 /nfs/dbraw/zinc/62/59/90/353625990.db2.gz GZEVDPSVSGIODE-IAQYHMDHSA-N 1 0 231.339 2.373 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289398465 353626875 /nfs/dbraw/zinc/62/68/75/353626875.db2.gz NPDYZPPMRSVVAH-HZPDHXFCSA-N 1 0 242.366 2.435 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000289499356 353629400 /nfs/dbraw/zinc/62/94/00/353629400.db2.gz SQOMKLWYECNZRK-LBPRGKRZSA-N 1 0 235.327 2.064 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1 ZINC000289546205 353631731 /nfs/dbraw/zinc/63/17/31/353631731.db2.gz FYVALSHZOKZZEI-AWEZNQCLSA-N 1 0 231.339 2.165 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000289523557 353631839 /nfs/dbraw/zinc/63/18/39/353631839.db2.gz POPLYAZYLKDORA-GFCCVEGCSA-N 1 0 232.283 2.342 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000289525823 353631927 /nfs/dbraw/zinc/63/19/27/353631927.db2.gz PRUNONGAKQKWPA-GFCCVEGCSA-N 1 0 231.343 2.038 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C(=O)OC)cc1)C(C)C ZINC000289539669 353632039 /nfs/dbraw/zinc/63/20/39/353632039.db2.gz QKXTUPFIFYULGB-AWEZNQCLSA-N 1 0 245.322 2.221 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000289545707 353632110 /nfs/dbraw/zinc/63/21/10/353632110.db2.gz QSTYWZDBPGZFPD-LBPRGKRZSA-N 1 0 239.322 2.292 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(OC)c1OC)C(C)C ZINC000289550061 353632163 /nfs/dbraw/zinc/63/21/63/353632163.db2.gz RAYJOZAQCHMNGQ-ZDUSSCGKSA-N 1 0 247.338 2.451 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(CC(C)C)c1)C(C)C ZINC000289568029 353632529 /nfs/dbraw/zinc/63/25/29/353632529.db2.gz SHSQSOKNLQOPFR-CQSZACIVSA-N 1 0 233.359 2.287 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(CC(C)C)c1)C(C)C ZINC000289568027 353632589 /nfs/dbraw/zinc/63/25/89/353632589.db2.gz SHSQSOKNLQOPFR-AWEZNQCLSA-N 1 0 233.359 2.287 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000289576577 353632657 /nfs/dbraw/zinc/63/26/57/353632657.db2.gz BGHFXQUGCSGTCD-TZMCWYRMSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000289765782 353634833 /nfs/dbraw/zinc/63/48/33/353634833.db2.gz LVTWQYLYVYDERC-WCQYABFASA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000289806901 353636790 /nfs/dbraw/zinc/63/67/90/353636790.db2.gz OFTQDELZHQUFCE-DOMZBBRYSA-N 1 0 247.338 2.209 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2(CN(C)C)CCC2)cc1 ZINC000289727188 353638218 /nfs/dbraw/zinc/63/82/18/353638218.db2.gz OTAGHQNVVIGYHW-UHFFFAOYSA-N 1 0 242.366 2.242 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000289823082 353639452 /nfs/dbraw/zinc/63/94/52/353639452.db2.gz PBQSRWAQTYOYCU-UKRRQHHQSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(c2ccccc2C)C1 ZINC000289941079 353643443 /nfs/dbraw/zinc/64/34/43/353643443.db2.gz VYGJVFZPEBYNLB-MOKVOYLWSA-N 1 0 231.339 2.378 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC[C@H](C)CO)cc1 ZINC000289954645 353643959 /nfs/dbraw/zinc/64/39/59/353643959.db2.gz AYHYQYABETWIEG-ZDUSSCGKSA-N 1 0 231.339 2.166 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290024857 353646502 /nfs/dbraw/zinc/64/65/02/353646502.db2.gz VIHREUJZRDGSJS-LBPRGKRZSA-N 1 0 205.305 2.014 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2nccn21)C(C)(C)C ZINC000290147101 353649724 /nfs/dbraw/zinc/64/97/24/353649724.db2.gz KXIFHBNNOYFBLQ-CYBMUJFWSA-N 1 0 241.338 2.472 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC000290203251 353651376 /nfs/dbraw/zinc/65/13/76/353651376.db2.gz DELJWXKMJTVIEX-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000336780885 353609975 /nfs/dbraw/zinc/60/99/75/353609975.db2.gz SKFSWQCLAUJICC-OCCSQVGLSA-N 1 0 231.364 2.379 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2nccn21)C(C)C ZINC000289328637 353612824 /nfs/dbraw/zinc/61/28/24/353612824.db2.gz GLGNDVYYAKKDNI-CYBMUJFWSA-N 1 0 227.311 2.082 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OC)c(OC)c1)C(C)C ZINC000289343924 353613660 /nfs/dbraw/zinc/61/36/60/353613660.db2.gz IFYNPXRURMAGFQ-ZDUSSCGKSA-N 1 0 247.338 2.451 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2c(c1)ncn2C)C(C)C ZINC000289340688 353614335 /nfs/dbraw/zinc/61/43/35/353614335.db2.gz HUZOEDSPPTYKOW-CYBMUJFWSA-N 1 0 241.338 2.321 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)cc1 ZINC000289035704 353616210 /nfs/dbraw/zinc/61/62/10/353616210.db2.gz HJMGSMAEHYKMEP-CVEARBPZSA-N 1 0 241.334 2.421 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(C)C ZINC000289101720 353617807 /nfs/dbraw/zinc/61/78/07/353617807.db2.gz CEDLATBOCRCDFQ-CYBMUJFWSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000289097522 353618414 /nfs/dbraw/zinc/61/84/14/353618414.db2.gz BWAWPNJJXDUZGM-GFCCVEGCSA-N 1 0 229.323 2.165 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000289120211 353618422 /nfs/dbraw/zinc/61/84/22/353618422.db2.gz DLIIRYNVHIBZSH-SNVBAGLBSA-N 1 0 245.351 2.260 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn2ccccc12)C(C)C ZINC000289103577 353618430 /nfs/dbraw/zinc/61/84/30/353618430.db2.gz CHDMMEWHDWXISP-ZDUSSCGKSA-N 1 0 227.311 2.082 20 30 BEEDRO CCOC[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000343312903 353619154 /nfs/dbraw/zinc/61/91/54/353619154.db2.gz FAWURTHJNLWRMB-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCOC(C)C)cc1 ZINC000184167595 353620416 /nfs/dbraw/zinc/62/04/16/353620416.db2.gz UOSJGBAFTGXFQF-UHFFFAOYSA-N 1 0 247.338 2.213 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn2ccccc12)C(C)(C)C ZINC000289244894 353620612 /nfs/dbraw/zinc/62/06/12/353620612.db2.gz ANHFYXHJFUNQCA-CQSZACIVSA-N 1 0 241.338 2.472 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)[C@H](C)CC)cc1 ZINC000290406282 353662763 /nfs/dbraw/zinc/66/27/63/353662763.db2.gz PVEHPIJWZCLBMU-IUODEOHRSA-N 1 0 231.339 2.165 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ncnn1C(C)C ZINC000393835849 353673954 /nfs/dbraw/zinc/67/39/54/353673954.db2.gz NNAJTCBNAWJDGP-NSHDSACASA-N 1 0 222.336 2.303 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)CC(OC)OC ZINC000136750977 353674043 /nfs/dbraw/zinc/67/40/43/353674043.db2.gz USNZKYZBORCABD-UHFFFAOYSA-N 1 0 249.354 2.336 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1c(C)oc2ccccc21 ZINC000291644257 353695633 /nfs/dbraw/zinc/69/56/33/353695633.db2.gz UADUPCZJBQYYQL-NSHDSACASA-N 1 0 231.295 2.378 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CC2(C#N)CC2)C[C@H]1C ZINC000343316598 353654432 /nfs/dbraw/zinc/65/44/32/353654432.db2.gz SZPKOPFRJUHUSE-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO C=C(C[NH2+]C1CCOCC1)c1ccccc1 ZINC000097602926 353733444 /nfs/dbraw/zinc/73/34/44/353733444.db2.gz GYXWTQMMYVMXGC-UHFFFAOYSA-N 1 0 217.312 2.468 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291828226 353700454 /nfs/dbraw/zinc/70/04/54/353700454.db2.gz OCECMIOQQKEJQV-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1occc1C ZINC000292375922 353712214 /nfs/dbraw/zinc/71/22/14/353712214.db2.gz RGTVXANGARNCLV-LBPRGKRZSA-N 1 0 223.316 2.347 20 30 BEEDRO C=CCCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639118045 353749461 /nfs/dbraw/zinc/74/94/61/353749461.db2.gz ITQXLWFEGIUTCY-UHFFFAOYSA-N 1 0 242.269 2.299 20 30 BEEDRO C=CCOCC[NH2+]C(C)(C)c1c(C)noc1C ZINC000293730108 353755668 /nfs/dbraw/zinc/75/56/68/353755668.db2.gz ZDMBNMJOYVURJV-UHFFFAOYSA-N 1 0 238.331 2.319 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000293929534 353764346 /nfs/dbraw/zinc/76/43/46/353764346.db2.gz YRNKAGAXPSIWEC-CQSZACIVSA-N 1 0 232.327 2.421 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)cc1 ZINC000293959197 353765026 /nfs/dbraw/zinc/76/50/26/353765026.db2.gz JGSFMUPAZPXWBN-CJNGLKHVSA-N 1 0 243.350 2.309 20 30 BEEDRO C=CCC(F)(F)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000293792928 353768485 /nfs/dbraw/zinc/76/84/85/353768485.db2.gz BLUASUNGOLQWSO-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCOCC[NH+]1CCC(c2ccncc2)CC1 ZINC000294131519 353770093 /nfs/dbraw/zinc/77/00/93/353770093.db2.gz NUQWAJJGLFNCMT-UHFFFAOYSA-N 1 0 246.354 2.464 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)[C@@H]2CCCC[C@H]21 ZINC000293041181 353737354 /nfs/dbraw/zinc/73/73/54/353737354.db2.gz MBRHCSZBRRYKQV-ZIAGYGMSSA-N 1 0 220.360 2.287 20 30 BEEDRO CC#CC[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000293361087 353746240 /nfs/dbraw/zinc/74/62/40/353746240.db2.gz ZYNYILBBNSISCA-UHFFFAOYSA-N 1 0 244.338 2.279 20 30 BEEDRO CC#CC[N@H+](C)CCc1nc2ccccc2n1C ZINC000293359259 353746267 /nfs/dbraw/zinc/74/62/67/353746267.db2.gz ZVESOZKCPLWSTN-UHFFFAOYSA-N 1 0 241.338 2.071 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](Cc1ccccc1)OC ZINC000295044614 353797024 /nfs/dbraw/zinc/79/70/24/353797024.db2.gz ODPITJZDKFIAET-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](O)CCC ZINC000295331826 353803845 /nfs/dbraw/zinc/80/38/45/353803845.db2.gz PDHPLYGWOMDNCD-OAHLLOKOSA-N 1 0 231.339 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1csc(C)c1 ZINC000297170101 353840626 /nfs/dbraw/zinc/84/06/26/353840626.db2.gz DJQKFQPOPINOBG-MWLCHTKSSA-N 1 0 211.330 2.254 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000296129610 353818542 /nfs/dbraw/zinc/81/85/42/353818542.db2.gz UIHRRBSYGICCCG-ZANVPECISA-N 1 0 241.281 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2O ZINC000296921577 353837022 /nfs/dbraw/zinc/83/70/22/353837022.db2.gz WSXIHMIGCJMVAX-BXUZGUMPSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1csc(C)c1 ZINC000297170099 353839723 /nfs/dbraw/zinc/83/97/23/353839723.db2.gz DJQKFQPOPINOBG-KOLCDFICSA-N 1 0 211.330 2.254 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC(C)(C)CO)cc1 ZINC000294739869 353793292 /nfs/dbraw/zinc/79/32/92/353793292.db2.gz HBQBCFKGBPMXRI-UHFFFAOYSA-N 1 0 231.339 2.166 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000294940955 353794430 /nfs/dbraw/zinc/79/44/30/353794430.db2.gz DSRCHNQMURATER-YPMHNXCESA-N 1 0 232.327 2.076 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000320712345 353795819 /nfs/dbraw/zinc/79/58/19/353795819.db2.gz HDSKSTBLTUMFIA-HOTGVXAUSA-N 1 0 245.366 2.461 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000334521184 353886254 /nfs/dbraw/zinc/88/62/54/353886254.db2.gz RFKNIHWKSCYRRA-ZIHBUVQPSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000343447409 353891717 /nfs/dbraw/zinc/89/17/17/353891717.db2.gz SRXHPNLXCSOSIU-UHFFFAOYSA-N 1 0 240.310 2.214 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncc(C)o1 ZINC000639141885 353849522 /nfs/dbraw/zinc/84/95/22/353849522.db2.gz BCSNREPVIPJAAK-YPMHNXCESA-N 1 0 236.315 2.054 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000639144099 353851105 /nfs/dbraw/zinc/85/11/05/353851105.db2.gz GSILZGIFVBBSEZ-RNJOBUHISA-N 1 0 241.400 2.451 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@](C)(CC)OC ZINC000639145439 353851268 /nfs/dbraw/zinc/85/12/68/353851268.db2.gz LICBQJJNAXUISM-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnn(CCC)c1 ZINC000343486508 353906155 /nfs/dbraw/zinc/90/61/55/353906155.db2.gz HXSJXBLKUUGSTD-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[N@@H+](C)CCC ZINC000343532962 353929822 /nfs/dbraw/zinc/92/98/22/353929822.db2.gz OZTOMEUKGAKVKG-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO COCC1(C)CC[NH+](CC2(C#N)CC2)CC1 ZINC000343562934 353935020 /nfs/dbraw/zinc/93/50/20/353935020.db2.gz KOIHXIXTGZYTIF-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1CCC ZINC000343659954 353943239 /nfs/dbraw/zinc/94/32/39/353943239.db2.gz KTAKASPKQHAUSR-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+](C)CCOc1ccccc1C ZINC000053421587 363276973 /nfs/dbraw/zinc/27/69/73/363276973.db2.gz MFZWCPCSWHQDTE-UHFFFAOYSA-N 1 0 205.301 2.492 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000343762793 353976717 /nfs/dbraw/zinc/97/67/17/353976717.db2.gz GVARKINXYLGOMI-VXGBXAGGSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](O)C(C)(C)C ZINC000343762791 353977164 /nfs/dbraw/zinc/97/71/64/353977164.db2.gz GVARKINXYLGOMI-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000334547481 353985743 /nfs/dbraw/zinc/98/57/43/353985743.db2.gz FBFVVPHZAXGGCT-GFCCVEGCSA-N 1 0 203.289 2.017 20 30 BEEDRO C=C(C[NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1 ZINC000343802706 354006639 /nfs/dbraw/zinc/00/66/39/354006639.db2.gz DXDUCFROAIEDIA-ZFWWWQNUSA-N 1 0 230.355 2.240 20 30 BEEDRO C=C(C[NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccccc1 ZINC000343802679 354006717 /nfs/dbraw/zinc/00/67/17/354006717.db2.gz DXDUCFROAIEDIA-DZGCQCFKSA-N 1 0 230.355 2.240 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cncc(C)c1 ZINC000343826328 354016101 /nfs/dbraw/zinc/01/61/01/354016101.db2.gz AVONOZFEFHNRMY-QWHCGFSZSA-N 1 0 234.343 2.225 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000343879555 354030829 /nfs/dbraw/zinc/03/08/29/354030829.db2.gz NRVWMAWLCGBKMA-AAEUAGOBSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000343879559 354030848 /nfs/dbraw/zinc/03/08/48/354030848.db2.gz NRVWMAWLCGBKMA-WCQYABFASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC1CC[NH+](Cc2cncc(OC)c2)CC1 ZINC000343884945 354032181 /nfs/dbraw/zinc/03/21/81/354032181.db2.gz VZIIWMMHWJOAFD-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCCC#N)C1(C)C ZINC000230405236 363307788 /nfs/dbraw/zinc/30/77/88/363307788.db2.gz ZPHWXQUAQDKFBB-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCSC2)C1 ZINC000306237473 181059983 /nfs/dbraw/zinc/05/99/83/181059983.db2.gz IEIDBCZEBGJRRV-OUAUKWLOSA-N 1 0 210.346 2.164 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336740654 181060133 /nfs/dbraw/zinc/06/01/33/181060133.db2.gz UPTSDYFAPQCUDD-GRYCIOLGSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344066083 354130491 /nfs/dbraw/zinc/13/04/91/354130491.db2.gz PKHFXFFEURKQJS-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1c(Cl)cccc1NC1CC[NH2+]CC1 ZINC000052905855 181074074 /nfs/dbraw/zinc/07/40/74/181074074.db2.gz HJTWYIRVOXUEAN-UHFFFAOYSA-N 1 0 235.718 2.376 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000230669906 363318674 /nfs/dbraw/zinc/31/86/74/363318674.db2.gz IRKLYMIWVCUBPU-WCFLWFBJSA-N 1 0 209.333 2.498 20 30 BEEDRO N#Cc1c(F)cccc1N[C@@H]1C[NH+]2CCC1CC2 ZINC000035134953 181076077 /nfs/dbraw/zinc/07/60/77/181076077.db2.gz QMAGKDAAMQRKLN-CQSZACIVSA-N 1 0 245.301 2.203 20 30 BEEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000344116941 354142464 /nfs/dbraw/zinc/14/24/64/354142464.db2.gz BCUGXPWCZRZECA-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CCC[C@@]1(CO)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000344124897 354145156 /nfs/dbraw/zinc/14/51/56/354145156.db2.gz HPBFXFKEAYORAN-CQSZACIVSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CC#Cc1ccccc1 ZINC000344137937 354151163 /nfs/dbraw/zinc/15/11/63/354151163.db2.gz KBSHEUFLCOIKCZ-GDBMZVCRSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000449700520 202004076 /nfs/dbraw/zinc/00/40/76/202004076.db2.gz UABWFTBQKPHPPA-FRRDWIJNSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(CC)nc1 ZINC000449701456 202005167 /nfs/dbraw/zinc/00/51/67/202005167.db2.gz WMBZRPROALGGJX-AWEZNQCLSA-N 1 0 234.343 2.061 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449697615 202005371 /nfs/dbraw/zinc/00/53/71/202005371.db2.gz LBVXIGIOWGYLTQ-WCQYABFASA-N 1 0 223.316 2.127 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2CO)ccc1C#N ZINC000449708296 202007096 /nfs/dbraw/zinc/00/70/96/202007096.db2.gz GMSUOMKPBHHMAD-HUUCEWRRSA-N 1 0 244.338 2.117 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000449734819 202010464 /nfs/dbraw/zinc/01/04/64/202010464.db2.gz OJNLPOYPUKGPBN-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000449736626 202014197 /nfs/dbraw/zinc/01/41/97/202014197.db2.gz WXDPQJQYZYNFCZ-UHFFFAOYSA-N 1 0 244.342 2.402 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000344269843 354195385 /nfs/dbraw/zinc/19/53/85/354195385.db2.gz ZIZBSCOADVNUSG-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC)C[N@H+]1CC[C@](CO)(CCC)C1 ZINC000344279002 354200071 /nfs/dbraw/zinc/20/00/71/354200071.db2.gz OLLZRCNWGGNDHQ-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO COCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000449743154 202018676 /nfs/dbraw/zinc/01/86/76/202018676.db2.gz VGYYZZQDTJVOIS-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000344299803 354212199 /nfs/dbraw/zinc/21/21/99/354212199.db2.gz FWXAGTZLPSVEGM-TZMCWYRMSA-N 1 0 244.338 2.393 20 30 BEEDRO C=CCCCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344484180 354270345 /nfs/dbraw/zinc/27/03/45/354270345.db2.gz QNRYYOUQHWUWPI-XQQFMLRXSA-N 1 0 238.375 2.330 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000366246181 181102634 /nfs/dbraw/zinc/10/26/34/181102634.db2.gz DEPWLOMZTGWOFQ-CQSZACIVSA-N 1 0 242.322 2.027 20 30 BEEDRO C=CCCC[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000344763236 354355738 /nfs/dbraw/zinc/35/57/38/354355738.db2.gz IHMWBIQHLJOBJO-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO N#Cc1ccc(CNCC[NH+]2CCCCCC2)o1 ZINC000135140236 181108490 /nfs/dbraw/zinc/10/84/90/181108490.db2.gz LRHNBFBRZICOPO-UHFFFAOYSA-N 1 0 247.342 2.117 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000037871545 181108555 /nfs/dbraw/zinc/10/85/55/181108555.db2.gz YMAOLEWJUWPEHI-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO C=CCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000344615121 354326882 /nfs/dbraw/zinc/32/68/82/354326882.db2.gz DFTKRJSOIQJRRT-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000219028480 181109046 /nfs/dbraw/zinc/10/90/46/181109046.db2.gz YHYLTPNVVVXEOM-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000086873371 181109508 /nfs/dbraw/zinc/10/95/08/181109508.db2.gz QWHMMHSNVYLXJR-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC23CC3)s1 ZINC000335285843 181110239 /nfs/dbraw/zinc/11/02/39/181110239.db2.gz JCVXOYJWDMHJRV-JTQLQIEISA-N 1 0 204.298 2.262 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCOC3)o1 ZINC000375305408 181104696 /nfs/dbraw/zinc/10/46/96/181104696.db2.gz WNIIRTHASYKUGI-CQSZACIVSA-N 1 0 246.310 2.154 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)o1 ZINC000294026534 181105726 /nfs/dbraw/zinc/10/57/26/181105726.db2.gz VICPBOPZAIFVSB-CYBMUJFWSA-N 1 0 246.310 2.031 20 30 BEEDRO N#Cc1ccc(C[NH2+]C(C2CC2)C2CC2)o1 ZINC000135483428 181106630 /nfs/dbraw/zinc/10/66/30/181106630.db2.gz HLAOTKHUYSWIHY-UHFFFAOYSA-N 1 0 216.284 2.429 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(CO)CCCCC2)cc1 ZINC000053095922 181107190 /nfs/dbraw/zinc/10/71/90/181107190.db2.gz UGSKCCSEDZDZOH-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCC(O)CC2)c(F)c1 ZINC000298087735 181107203 /nfs/dbraw/zinc/10/72/03/181107203.db2.gz MNLUCGFRWOWVPC-UHFFFAOYSA-N 1 0 248.301 2.090 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2Cc3ccccc3C2)o1 ZINC000186444568 181107266 /nfs/dbraw/zinc/10/72/66/181107266.db2.gz KUCUJFPGSBSXHZ-UHFFFAOYSA-N 1 0 238.290 2.408 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCOCC(F)F ZINC000190901283 354354687 /nfs/dbraw/zinc/35/46/87/354354687.db2.gz FRGCKOTUIOMMOO-UHFFFAOYSA-N 1 0 234.290 2.188 20 30 BEEDRO N#Cc1ccc(Cl)cc1NCCCC[NH3+] ZINC000308913369 181111865 /nfs/dbraw/zinc/11/18/65/181111865.db2.gz NCNWMJNGAXAPJC-UHFFFAOYSA-N 1 0 223.707 2.362 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccccc1N(C)C ZINC000344955215 354383290 /nfs/dbraw/zinc/38/32/90/354383290.db2.gz PBQZWDYGBFUWPD-UHFFFAOYSA-N 1 0 248.370 2.435 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000349422505 366190902 /nfs/dbraw/zinc/19/09/02/366190902.db2.gz SCBNWCZBTOTHSG-RXGFPQBGSA-N 1 0 236.359 2.328 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C)CC1 ZINC000334679743 354424877 /nfs/dbraw/zinc/42/48/77/354424877.db2.gz ZHGPASZQCVSMNU-TUUUFIMRSA-N 1 0 209.333 2.498 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC000353276804 181132680 /nfs/dbraw/zinc/13/26/80/181132680.db2.gz SMLFWDVXSWLSSK-SWLSCSKDSA-N 1 0 242.322 2.172 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC(C#N)CC1 ZINC000334657924 354453441 /nfs/dbraw/zinc/45/34/41/354453441.db2.gz YDIHORVMLCTDTK-OAHLLOKOSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000334690298 354478333 /nfs/dbraw/zinc/47/83/33/354478333.db2.gz RYLPJKLGRVQRIL-CYBMUJFWSA-N 1 0 209.333 2.455 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCCOCC2CC2)c1 ZINC000020190486 181138030 /nfs/dbraw/zinc/13/80/30/181138030.db2.gz HUCIRKWWEWXJBX-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCc2cccnc2)c1 ZINC000037502566 181138142 /nfs/dbraw/zinc/13/81/42/181138142.db2.gz JWKSLUVMGYZGCH-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO N#Cc1cccc(C[NH2+]Cc2ccco2)c1 ZINC000022214971 181138298 /nfs/dbraw/zinc/13/82/98/181138298.db2.gz ZXRPQJZNGCMICT-UHFFFAOYSA-N 1 0 212.252 2.441 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000218998877 181138349 /nfs/dbraw/zinc/13/83/49/181138349.db2.gz ZKNATPYNFYSSBX-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC23CCC3)cc1C#N ZINC000334698586 354490922 /nfs/dbraw/zinc/49/09/22/354490922.db2.gz KQFAGIJBPFAMDE-UHFFFAOYSA-N 1 0 215.300 2.025 20 30 BEEDRO N#Cc1cccc(C2([NH2+]C[C@@H]3CCOC3)CC2)c1 ZINC000341224715 181136856 /nfs/dbraw/zinc/13/68/56/181136856.db2.gz AXUZFMDUKBRJBA-ZDUSSCGKSA-N 1 0 242.322 2.173 20 30 BEEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCSC2)c1 ZINC000336676459 181136898 /nfs/dbraw/zinc/13/68/98/181136898.db2.gz LTJZIPPDSLDGAA-CYBMUJFWSA-N 1 0 232.352 2.196 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189973859 181137540 /nfs/dbraw/zinc/13/75/40/181137540.db2.gz NOXYIQDQAKNWPH-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO C=C1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000335096028 354635420 /nfs/dbraw/zinc/63/54/20/354635420.db2.gz VEXLFVWAHFTIDH-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639207589 354689394 /nfs/dbraw/zinc/68/93/94/354689394.db2.gz QQBRGRNYCHSUKG-OLZOCXBDSA-N 1 0 241.375 2.230 20 30 BEEDRO CCNC(N[C@H]1C[C@@H]1c1cccc(F)c1)=[NH+]CC ZINC000066244156 535265920 /nfs/dbraw/zinc/26/59/20/535265920.db2.gz MJEZSSJMXLWSFU-OLZOCXBDSA-N 1 0 249.333 2.257 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000345936489 354813569 /nfs/dbraw/zinc/81/35/69/354813569.db2.gz QXOPJWNMDULHOO-LBPRGKRZSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000301051029 363395091 /nfs/dbraw/zinc/39/50/91/363395091.db2.gz TVPYFHIGRVVXIJ-WDEREUQCSA-N 1 0 225.332 2.082 20 30 BEEDRO CCN1C[C@H](C)[N@H+](CCCCC#N)C[C@H]1C ZINC000346171669 354868332 /nfs/dbraw/zinc/86/83/32/354868332.db2.gz FVBFAFVYWFAVCK-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1c(C)cnn1C ZINC000335150379 354864323 /nfs/dbraw/zinc/86/43/23/354864323.db2.gz YIELDJOOCXYTBF-LBPRGKRZSA-N 1 0 219.332 2.269 20 30 BEEDRO CCOC(=O)C1CCC([NH2+]CCCC#N)CC1 ZINC000346315749 354894109 /nfs/dbraw/zinc/89/41/09/354894109.db2.gz ACTWTXCMPCQVNQ-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]CCCC#N)n1 ZINC000346334788 354899178 /nfs/dbraw/zinc/89/91/78/354899178.db2.gz OEFWAXSTCQYIJZ-GFCCVEGCSA-N 1 0 234.347 2.288 20 30 BEEDRO N#Cc1ccnc(N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000130840821 181157237 /nfs/dbraw/zinc/15/72/37/181157237.db2.gz XXXOPRUPHHKWHP-ZDUSSCGKSA-N 1 0 244.342 2.273 20 30 BEEDRO CC1(C#N)CC[NH+](CCOCC2CC2)CC1 ZINC000356435304 535275420 /nfs/dbraw/zinc/27/54/20/535275420.db2.gz PMYRISGYFAGHII-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(CC)C(=O)C1 ZINC000346993989 355192476 /nfs/dbraw/zinc/19/24/76/355192476.db2.gz BMHJYRARRPNYFX-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC[C@@H](C[N@H+](CCC#N)CC1CC1)OC ZINC000412976646 191346561 /nfs/dbraw/zinc/34/65/61/191346561.db2.gz JROQTZSPHHPAHH-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C[N@H+](CCCCNc1cnccc1C#N)C1CC1 ZINC000413348618 191373941 /nfs/dbraw/zinc/37/39/41/191373941.db2.gz PAGLFDXQGPABDP-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO Cc1c[nH+]ccc1NCC(C)(C)CC#N ZINC000413412247 191381367 /nfs/dbraw/zinc/38/13/67/191381367.db2.gz SANDWOJUYSSYKZ-UHFFFAOYSA-N 1 0 203.289 2.164 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@]1(C)CCCO1 ZINC000414168419 191464293 /nfs/dbraw/zinc/46/42/93/191464293.db2.gz QQEQPVJFISTSFC-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C)nn1 ZINC000414463354 191515300 /nfs/dbraw/zinc/51/53/00/191515300.db2.gz GTDSMKBQUMEYPS-UHFFFAOYSA-N 1 0 205.305 2.087 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000335812072 355498520 /nfs/dbraw/zinc/49/85/20/355498520.db2.gz MREKXTRZBPGIOR-WCQYABFASA-N 1 0 240.310 2.116 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000349781961 355461397 /nfs/dbraw/zinc/46/13/97/355461397.db2.gz YQFFQAWTCWJXLB-IHRRRGAJSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000349756978 355461509 /nfs/dbraw/zinc/46/15/09/355461509.db2.gz JLEXPNYZSGFFQK-CMPLNLGQSA-N 1 0 248.301 2.285 20 30 BEEDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000349797455 355463918 /nfs/dbraw/zinc/46/39/18/355463918.db2.gz CGKNJNGGAWVHRF-AAEUAGOBSA-N 1 0 230.311 2.477 20 30 BEEDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(C#N)nc1 ZINC000267528477 355526004 /nfs/dbraw/zinc/52/60/04/355526004.db2.gz PDIBNLWLYFHZRJ-AWEZNQCLSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@]2(OC)CCOC2)C1 ZINC000639310482 355669169 /nfs/dbraw/zinc/66/91/69/355669169.db2.gz PKXMBXMQTSVAGC-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCC1(C[NH2+]Cc2ncnn2C)CCCC1 ZINC000639305889 355670016 /nfs/dbraw/zinc/67/00/16/355670016.db2.gz FVBWMTNWGYSFEA-UHFFFAOYSA-N 1 0 248.374 2.431 20 30 BEEDRO C=C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416189310 191722786 /nfs/dbraw/zinc/72/27/86/191722786.db2.gz JHFBYJKGSYXXQA-TZMCWYRMSA-N 1 0 246.354 2.370 20 30 BEEDRO C[C@H]1CC[N@H+](CC2(C#N)CC2)C[C@H]1n1ccnc1 ZINC000335896081 355690666 /nfs/dbraw/zinc/69/06/66/355690666.db2.gz IBYHKQSHTHDBRW-QWHCGFSZSA-N 1 0 244.342 2.070 20 30 BEEDRO CN(Cc1ccc(C#N)o1)Cc1ccccn1 ZINC000350349676 355683242 /nfs/dbraw/zinc/68/32/42/355683242.db2.gz DJPFCIUBDUXQQA-UHFFFAOYSA-N 1 0 227.267 2.178 20 30 BEEDRO CC[C@]1([NH2+]Cc2ccc(CC#N)cc2)CCOC1 ZINC000399136872 355760526 /nfs/dbraw/zinc/76/05/26/355760526.db2.gz RIDPHMXPOZKYJI-HNNXBMFYSA-N 1 0 244.338 2.411 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000639326895 355732667 /nfs/dbraw/zinc/73/26/67/355732667.db2.gz IOFAPUKIOHFORD-MGYRSQIZSA-N 1 0 223.360 2.338 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)c1sc(C)nc1C ZINC000106877581 355796275 /nfs/dbraw/zinc/79/62/75/355796275.db2.gz YTKUOMNVNIWHLV-SECBINFHSA-N 1 0 208.330 2.386 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000639371143 355866800 /nfs/dbraw/zinc/86/68/00/355866800.db2.gz JRLJLYPHZZGJGI-QWRGUYRKSA-N 1 0 205.305 2.244 20 30 BEEDRO CC[C@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539790 191901754 /nfs/dbraw/zinc/90/17/54/191901754.db2.gz UQSWFPQOGRQXDE-RISCZKNCSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000351331138 355980362 /nfs/dbraw/zinc/98/03/62/355980362.db2.gz RLDIKOYHKHZGSC-GXTWGEPZSA-N 1 0 245.326 2.227 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(C)C ZINC000351409833 355986809 /nfs/dbraw/zinc/98/68/09/355986809.db2.gz HUUWCELISZICGT-QWHCGFSZSA-N 1 0 211.349 2.434 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)c(F)c1)C[C@@H]1CCOC1 ZINC000192058684 355950846 /nfs/dbraw/zinc/95/08/46/355950846.db2.gz JVOOSOSVYWZLPA-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000192165033 355960083 /nfs/dbraw/zinc/96/00/83/355960083.db2.gz FIUGZJTZZACBJV-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO COc1cc(C[NH2+]C[C@H]2CC23CC3)ccc1C#N ZINC000418089365 191966044 /nfs/dbraw/zinc/96/60/44/191966044.db2.gz CBSUBZLZVSESSH-CYBMUJFWSA-N 1 0 242.322 2.457 20 30 BEEDRO C=CC(C)(C)CNC(=O)N[C@H](C[NH3+])CCCC ZINC000418255654 192005610 /nfs/dbraw/zinc/00/56/10/192005610.db2.gz RZIZFMGJVHRLBJ-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO CCOC1CC(C[N@H+](C)[C@@H](C)CC#N)C1 ZINC000351894678 356164664 /nfs/dbraw/zinc/16/46/64/356164664.db2.gz ZERBCLQTLODVOP-UNXYVOJBSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000352129714 134077219 /nfs/dbraw/zinc/07/72/19/134077219.db2.gz BPFMBEGSXSFZHI-CYBMUJFWSA-N 1 0 219.332 2.486 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1CC(C)(C)CO1 ZINC000639449790 356233348 /nfs/dbraw/zinc/23/33/48/356233348.db2.gz BXZIFIKMVPGOJL-GFCCVEGCSA-N 1 0 209.333 2.476 20 30 BEEDRO Cc1ocnc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000330234936 356189693 /nfs/dbraw/zinc/18/96/93/356189693.db2.gz SWXPUQOYAYXYBF-LBPRGKRZSA-N 1 0 249.314 2.066 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617756154 356316957 /nfs/dbraw/zinc/31/69/57/356316957.db2.gz AVYZTNKRBLALMD-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCN(C[C@@H](C)[NH3+])CC1CCCCC1 ZINC000420307143 192208644 /nfs/dbraw/zinc/20/86/44/192208644.db2.gz RFQDHWJZUPSILR-GFCCVEGCSA-N 1 0 210.365 2.402 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000617783135 356354425 /nfs/dbraw/zinc/35/44/25/356354425.db2.gz UOTPQBWLKDSMDN-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+](C)CCC ZINC000123543807 358503725 /nfs/dbraw/zinc/50/37/25/358503725.db2.gz PXRUIMHLGILDOR-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO COC1CC([N@H+](C)CC#Cc2ccccc2)C1 ZINC000352203590 134103443 /nfs/dbraw/zinc/10/34/43/134103443.db2.gz TVHOMSAICIYLKG-UHFFFAOYSA-N 1 0 229.323 2.147 20 30 BEEDRO N#CC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000190489197 356446016 /nfs/dbraw/zinc/44/60/16/356446016.db2.gz GLNMHVDRZKJKMT-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2nccn21 ZINC000333462040 134109562 /nfs/dbraw/zinc/10/95/62/134109562.db2.gz GQMUTXVVJRPMEX-NNYUYHANSA-N 1 0 230.315 2.171 20 30 BEEDRO N#CC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000190489218 356446058 /nfs/dbraw/zinc/44/60/58/356446058.db2.gz GLNMHVDRZKJKMT-AWEZNQCLSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000300256475 356486461 /nfs/dbraw/zinc/48/64/61/356486461.db2.gz GUEJYXMYBBXAKR-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO CC(C)(C)C[N@H+](CCC#N)C[C@H]1C[C@@H](O)C1 ZINC000420917607 192273226 /nfs/dbraw/zinc/27/32/26/192273226.db2.gz SXONLDHVTFOBBD-TXEJJXNPSA-N 1 0 224.348 2.019 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H]2CCCOCC2)CC1 ZINC000336170134 134114552 /nfs/dbraw/zinc/11/45/52/134114552.db2.gz NNRYCZSDFZBDGS-RUXDESIVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCO[C@H]1C ZINC000639616081 356533735 /nfs/dbraw/zinc/53/37/35/356533735.db2.gz CCYACSIVUZWPPI-YNEHKIRRSA-N 1 0 209.333 2.452 20 30 BEEDRO CN(CC#Cc1ccccc1)C[C@@H]1CCC[N@@H+]1C ZINC000420995188 192294723 /nfs/dbraw/zinc/29/47/23/192294723.db2.gz HRTNGNLWIZVHOZ-INIZCTEOSA-N 1 0 242.366 2.064 20 30 BEEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1(C#N)CCC1 ZINC000336185920 134121509 /nfs/dbraw/zinc/12/15/09/134121509.db2.gz FBOGWLSZXGMSDZ-QWRGUYRKSA-N 1 0 235.331 2.316 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000420996306 192294496 /nfs/dbraw/zinc/29/44/96/192294496.db2.gz QFWGDFPKKYEBSX-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)Cc2ccc(C#N)o2)C1 ZINC000449785239 202034741 /nfs/dbraw/zinc/03/47/41/202034741.db2.gz FDOHHWAHAQFQCD-GFCCVEGCSA-N 1 0 247.342 2.066 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000449787728 202037666 /nfs/dbraw/zinc/03/76/66/202037666.db2.gz BOURDZDTXGSLFC-CYBMUJFWSA-N 1 0 244.338 2.153 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421025014 192308434 /nfs/dbraw/zinc/30/84/34/192308434.db2.gz XWJDSXMXUTTXLQ-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000336260712 134141332 /nfs/dbraw/zinc/14/13/32/134141332.db2.gz UZUNTLMKLACJPR-ZJUUUORDSA-N 1 0 210.346 2.021 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000450048061 202071556 /nfs/dbraw/zinc/07/15/56/202071556.db2.gz AOTXKPNPFNSCAK-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@]1(O)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000336280850 134141788 /nfs/dbraw/zinc/14/17/88/134141788.db2.gz IXUXVIFGUIMPOE-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=C(C)CC[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000352414641 134144195 /nfs/dbraw/zinc/14/41/95/134144195.db2.gz UUALCAJHINFPHV-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)CC[N@@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000352412242 134144201 /nfs/dbraw/zinc/14/42/01/134144201.db2.gz CZUNSDRXKMGZPO-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO CC#CCC[N@@H+]1CCc2ccc(O)cc2C1 ZINC000336354132 134144600 /nfs/dbraw/zinc/14/46/00/134144600.db2.gz XGVMWOMARBPASL-UHFFFAOYSA-N 1 0 215.296 2.164 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cnc(C)s1 ZINC000380187811 538465824 /nfs/dbraw/zinc/46/58/24/538465824.db2.gz HBSOGILTXRCXSL-VIFPVBQESA-N 1 0 226.345 2.305 20 30 BEEDRO C[C@@H](CCC1CC1)[NH2+]C1CCN(CC#N)CC1 ZINC000613597727 363530082 /nfs/dbraw/zinc/53/00/82/363530082.db2.gz VVYCOXCYWHEPGC-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCC1(CN2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000088259518 356644973 /nfs/dbraw/zinc/64/49/73/356644973.db2.gz MHTJOAUGBCQRAT-AWEZNQCLSA-N 1 0 247.386 2.240 20 30 BEEDRO CCO[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000088259391 356647134 /nfs/dbraw/zinc/64/71/34/356647134.db2.gz WEPNNGZDAXDZES-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CC1(CC#N)CC1 ZINC000088259333 356647179 /nfs/dbraw/zinc/64/71/79/356647179.db2.gz CPRDCILJZFAYIT-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)C1CCCCC1 ZINC000393890570 363543043 /nfs/dbraw/zinc/54/30/43/363543043.db2.gz ZMYWDJNEKAAEGT-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(CC)nc1 ZINC000352791587 134152637 /nfs/dbraw/zinc/15/26/37/134152637.db2.gz PZNMUHMYTWRPLK-UHFFFAOYSA-N 1 0 234.343 2.326 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000336553473 134149569 /nfs/dbraw/zinc/14/95/69/134149569.db2.gz IIXWDODFORCUKT-CYBMUJFWSA-N 1 0 222.332 2.183 20 30 BEEDRO CC(C)[N@H+]1CCCC[C@H]1CN(C)C[C@@H](C)C#N ZINC000450340164 202136127 /nfs/dbraw/zinc/13/61/27/202136127.db2.gz UVWJGAUDVBGSIH-KBPBESRZSA-N 1 0 237.391 2.341 20 30 BEEDRO CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@@H](C)C#N ZINC000450340166 202135121 /nfs/dbraw/zinc/13/51/21/202135121.db2.gz UVWJGAUDVBGSIH-UONOGXRCSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000020084821 134154996 /nfs/dbraw/zinc/15/49/96/134154996.db2.gz CLHTZDQCPOODCL-JTQLQIEISA-N 1 0 218.300 2.482 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000352855374 134155034 /nfs/dbraw/zinc/15/50/34/134155034.db2.gz XFLGMSZXQWLCTO-UHFFFAOYSA-N 1 0 228.299 2.137 20 30 BEEDRO CCCC[N@H+](CCOC)CC1(C#N)CCC1 ZINC000450388056 202148040 /nfs/dbraw/zinc/14/80/40/202148040.db2.gz HSWXGMGREFJDMQ-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H](C)CCOC)cc1 ZINC000113332163 134161418 /nfs/dbraw/zinc/16/14/18/134161418.db2.gz HDELXWXARVEQLA-CYBMUJFWSA-N 1 0 247.338 2.213 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CC1(O)CCC1 ZINC000353491221 134163826 /nfs/dbraw/zinc/16/38/26/134163826.db2.gz SHRDGCZIGYSCOD-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccc(OCC)n1 ZINC000353171758 134162005 /nfs/dbraw/zinc/16/20/05/134162005.db2.gz KAMUGVRRJNDKOP-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO CC[C@H](CCO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353237334 134162809 /nfs/dbraw/zinc/16/28/09/134162809.db2.gz FCSNOPPDNMNMTA-UKRRQHHQSA-N 1 0 244.338 2.296 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccs1 ZINC000321147733 259469875 /nfs/dbraw/zinc/46/98/75/259469875.db2.gz UVSOBZCPCBRNBY-SNVBAGLBSA-N 1 0 211.330 2.165 20 30 BEEDRO CO[C@@H](C)C[N@H+](CC1(C#N)CCC1)C(C)C ZINC000450428169 202163061 /nfs/dbraw/zinc/16/30/61/202163061.db2.gz HGWAZFVHPKXTEL-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC(C)(C)CO1)[C@H](C)COC ZINC000639784822 356737171 /nfs/dbraw/zinc/73/71/71/356737171.db2.gz ONTJEJQGGJWHFY-OLZOCXBDSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@H+](CCC)CC(C)C ZINC000389657843 356712259 /nfs/dbraw/zinc/71/22/59/356712259.db2.gz ZTUUSEDYVZCYQC-LLVKDONJSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@H+](CCC)CC(C)C ZINC000389657844 356712574 /nfs/dbraw/zinc/71/25/74/356712574.db2.gz ZTUUSEDYVZCYQC-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639798206 356756261 /nfs/dbraw/zinc/75/62/61/356756261.db2.gz ADZMGSAADUBFMN-ZDUSSCGKSA-N 1 0 231.343 2.307 20 30 BEEDRO CCN(CCC#N)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450463101 202173500 /nfs/dbraw/zinc/17/35/00/202173500.db2.gz MEFCJMSNIBALES-AWEZNQCLSA-N 1 0 237.391 2.485 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639817089 356796641 /nfs/dbraw/zinc/79/66/41/356796641.db2.gz JYOLOWQBEZRDSP-ZIAGYGMSSA-N 1 0 246.358 2.107 20 30 BEEDRO 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CC(C)(CCC#N)C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000135175102 358823162 /nfs/dbraw/zinc/82/31/62/358823162.db2.gz NMQNSPSEDQJFJH-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C)CC1 ZINC000052873102 358798501 /nfs/dbraw/zinc/79/85/01/358798501.db2.gz ASVLJDMWNIUIML-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[NH+](C)CCS[C@@H](C#N)Cc1ccccc1 ZINC000611131961 358837638 /nfs/dbraw/zinc/83/76/38/358837638.db2.gz KAQPODHKAWWNGN-CYBMUJFWSA-N 1 0 234.368 2.416 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000611179340 358927241 /nfs/dbraw/zinc/92/72/41/358927241.db2.gz AWEFTGSYRUEFFL-SECBINFHSA-N 1 0 202.248 2.267 20 30 BEEDRO C=CCCC[N@@H+]1CCN2CCCC[C@@H]2C1 ZINC000177752371 134299743 /nfs/dbraw/zinc/29/97/43/134299743.db2.gz XVCOVABSHKTSQE-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC1CC1 ZINC000070014253 359038790 /nfs/dbraw/zinc/03/87/90/359038790.db2.gz MCNKHWMJNCRSTJ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)CC1CC1 ZINC000308876437 491139369 /nfs/dbraw/zinc/13/93/69/491139369.db2.gz SIJAJRIOMDWHGA-GVXVVHGQSA-N 1 0 211.349 2.338 20 30 BEEDRO C#CCN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C ZINC000247749392 359244235 /nfs/dbraw/zinc/24/42/35/359244235.db2.gz YSXDPMBKHSKBLY-UMVBOHGHSA-N 1 0 229.323 2.470 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000247458874 359222286 /nfs/dbraw/zinc/22/22/86/359222286.db2.gz IEFBNCIQIKUHRA-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000292828168 359299167 /nfs/dbraw/zinc/29/91/67/359299167.db2.gz AJCHZSYGQBIXRC-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000076014208 359268962 /nfs/dbraw/zinc/26/89/62/359268962.db2.gz CGLGSGVLGOKAQD-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO Cc1cc(C#N)cc(NCC(C)(C)C[NH+](C)C)n1 ZINC000160937511 359356942 /nfs/dbraw/zinc/35/69/42/359356942.db2.gz WDDPMTZGXSDEQP-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO COCC[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390343 359358160 /nfs/dbraw/zinc/35/81/60/359358160.db2.gz UESHWYPEOJRAPZ-AWEZNQCLSA-N 1 0 230.311 2.172 20 30 BEEDRO C[C@H](CO)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611391570 359358294 /nfs/dbraw/zinc/35/82/94/359358294.db2.gz XWPFXNJKRRIWCG-XHDPSFHLSA-N 1 0 244.338 2.154 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611392843 359359096 /nfs/dbraw/zinc/35/90/96/359359096.db2.gz PIGJHNNDXNCYAA-IAQYHMDHSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(C#N)c(F)c1 ZINC000611465827 359372418 /nfs/dbraw/zinc/37/24/18/359372418.db2.gz PFYWGQGCZABDIP-SECBINFHSA-N 1 0 236.290 2.119 20 30 BEEDRO COc1ccc(C[N@H+](C)CCC(C)(C)C#N)cn1 ZINC000611462751 359373640 /nfs/dbraw/zinc/37/36/40/359373640.db2.gz JAARIFITSQKQCU-UHFFFAOYSA-N 1 0 247.342 2.462 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611372078 359350381 /nfs/dbraw/zinc/35/03/81/359350381.db2.gz WMBJSEDEGIYMPE-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCCCCCNC1=[NH+]C[C@@H](C)N1 ZINC000287058117 359420903 /nfs/dbraw/zinc/42/09/03/359420903.db2.gz XFGITVWMSXCTJO-LLVKDONJSA-N 1 0 209.337 2.060 20 30 BEEDRO N#Cc1ccc(CN2CC=CCC2)c(F)c1 ZINC000611517151 359386284 /nfs/dbraw/zinc/38/62/84/359386284.db2.gz CTMQERUVRMHKDX-UHFFFAOYSA-N 1 0 216.259 2.459 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000308914893 491140165 /nfs/dbraw/zinc/14/01/65/491140165.db2.gz FOSUVJURQJRAMQ-ZJUUUORDSA-N 1 0 206.289 2.315 20 30 BEEDRO C#CCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000287090009 359450982 /nfs/dbraw/zinc/45/09/82/359450982.db2.gz XACSNXDFTUGKAX-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CCC(C)(C)C#N)CC1 ZINC000611941972 359488386 /nfs/dbraw/zinc/48/83/86/359488386.db2.gz KZKIQEFDJGQKAH-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1ccccc1C#N ZINC000191254247 359547749 /nfs/dbraw/zinc/54/77/49/359547749.db2.gz LDUQKBCUYOLLCS-VXGBXAGGSA-N 1 0 244.338 2.292 20 30 BEEDRO Cc1ccc(F)cc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424074257 192859473 /nfs/dbraw/zinc/85/94/73/192859473.db2.gz GUZSELCERUOFLV-LLVKDONJSA-N 1 0 249.289 2.094 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H](COCC)C(C)C ZINC000309026814 491142580 /nfs/dbraw/zinc/14/25/80/491142580.db2.gz BCHWDQCVESIXSQ-CHWSQXEVSA-N 1 0 211.349 2.439 20 30 BEEDRO COCC[C@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161640 359712261 /nfs/dbraw/zinc/71/22/61/359712261.db2.gz HNQFFERVSGIOOO-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1nn(C)c(C)c1CN1CCC[C@](C)(C#N)C1 ZINC000612161992 359712630 /nfs/dbraw/zinc/71/26/30/359712630.db2.gz ISVSJNJBBLFBFR-CQSZACIVSA-N 1 0 246.358 2.163 20 30 BEEDRO CC(C)OCCN1CCC[C@@](C)(C#N)C1 ZINC000612162002 359712708 /nfs/dbraw/zinc/71/27/08/359712708.db2.gz XOXUJYGJOWRQRY-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)OCCC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612163361 359715648 /nfs/dbraw/zinc/71/56/48/359715648.db2.gz SWUPRJDCHLUAQO-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000450858332 202292256 /nfs/dbraw/zinc/29/22/56/202292256.db2.gz KTQDRKSIUPODSH-JHJVBQTASA-N 1 0 246.354 2.227 20 30 BEEDRO C[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(CC#N)CC1 ZINC000612181147 359726704 /nfs/dbraw/zinc/72/67/04/359726704.db2.gz XISRVWIRFDMSNS-UONOGXRCSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450831344 202282100 /nfs/dbraw/zinc/28/21/00/202282100.db2.gz PGJBCAPCGQGPHF-FRRDWIJNSA-N 1 0 236.359 2.162 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000612194936 359733111 /nfs/dbraw/zinc/73/31/11/359733111.db2.gz ZPXLRXJACYGQLA-ZDUSSCGKSA-N 1 0 229.327 2.159 20 30 BEEDRO C[C@@H](CO)[N@H+](CC1CCC1)CC1(C#N)CCC1 ZINC000450893915 202301351 /nfs/dbraw/zinc/30/13/51/202301351.db2.gz STJVBWNMRSEPLN-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CCCCOc1cccc(CNC(NC)=[NH+]C)c1 ZINC000057887525 359788918 /nfs/dbraw/zinc/78/89/18/359788918.db2.gz VWBBFXWJEHUNQQ-UHFFFAOYSA-N 1 0 249.358 2.160 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1scnc1C ZINC000578520468 366588084 /nfs/dbraw/zinc/58/80/84/366588084.db2.gz ZTTILBIGFALBGI-JTQLQIEISA-N 1 0 223.345 2.276 20 30 BEEDRO C[C@H](C#N)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000612586596 359899257 /nfs/dbraw/zinc/89/92/57/359899257.db2.gz WXTXAPGECLGCOK-VXGBXAGGSA-N 1 0 230.311 2.302 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000309145812 491145614 /nfs/dbraw/zinc/14/56/14/491145614.db2.gz VDDWTAOYLQEILL-RVMXOQNASA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000309145817 491145620 /nfs/dbraw/zinc/14/56/20/491145620.db2.gz VDDWTAOYLQEILL-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000087595255 359919921 /nfs/dbraw/zinc/91/99/21/359919921.db2.gz BNUGNWAQWZCELR-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000578856227 366657987 /nfs/dbraw/zinc/65/79/87/366657987.db2.gz AEIUCNAUHBCUKN-LBPRGKRZSA-N 1 0 234.347 2.259 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000451497782 202431631 /nfs/dbraw/zinc/43/16/31/202431631.db2.gz KBJPDSQUSXDMGC-YNEHKIRRSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000309309554 491147300 /nfs/dbraw/zinc/14/73/00/491147300.db2.gz BOMGHMONWXCQIJ-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000309305810 491147308 /nfs/dbraw/zinc/14/73/08/491147308.db2.gz ASEKGXKKMFMKJE-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C[N@H+](CCOCC1CC1)CCC(C)(C)C#N ZINC000094989205 360330368 /nfs/dbraw/zinc/33/03/68/360330368.db2.gz YAYQIBHYGAJAJI-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)(C#N)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000614164743 363727473 /nfs/dbraw/zinc/72/74/73/363727473.db2.gz XAYPEUFFDWCTGY-CQSZACIVSA-N 1 0 244.338 2.054 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1C#N ZINC000385891546 360438920 /nfs/dbraw/zinc/43/89/20/360438920.db2.gz MXXFPALMFYUYPG-LSDHHAIUSA-N 1 0 244.338 2.151 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+](CC)C[C@@H](C)CC ZINC000300772952 360487151 /nfs/dbraw/zinc/48/71/51/360487151.db2.gz BRILZSPKUZCSNB-WDEREUQCSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628749038 360632443 /nfs/dbraw/zinc/63/24/43/360632443.db2.gz DYTWAFZLOCYXCW-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CCC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)OC ZINC000449379429 200668671 /nfs/dbraw/zinc/66/86/71/200668671.db2.gz TVCWVBFYAKDLEQ-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)[C@H](O)C(F)F ZINC000449420208 200676652 /nfs/dbraw/zinc/67/66/52/200676652.db2.gz DUDNISMHEYWNQG-GUBZILKMSA-N 1 0 221.291 2.335 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000449755163 200701614 /nfs/dbraw/zinc/70/16/14/200701614.db2.gz MMCINBALXUUFLL-UMSGYPCISA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)[C@H](C)O ZINC000449543707 200689420 /nfs/dbraw/zinc/68/94/20/200689420.db2.gz 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IVKSATNDQXOTOL-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424188365 200881989 /nfs/dbraw/zinc/88/19/89/200881989.db2.gz BXZDLCZOMFYITL-REWJHTLYSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000424299573 200902094 /nfs/dbraw/zinc/90/20/94/200902094.db2.gz VPWLERZHQOMEJN-RQJABVFESA-N 1 0 234.343 2.249 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000424312109 200905094 /nfs/dbraw/zinc/90/50/94/200905094.db2.gz VZQYJVLQTYNNOA-VXGBXAGGSA-N 1 0 247.404 2.002 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C12CCC2 ZINC000424320210 200909383 /nfs/dbraw/zinc/90/93/83/200909383.db2.gz FUMXKDYUTQYMHY-QNWHQSFQSA-N 1 0 234.343 2.226 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000424330016 200913719 /nfs/dbraw/zinc/91/37/19/200913719.db2.gz PZLNGJCEXRPQMO-CYZMBNFOSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1 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C=CCC[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429040780 201062129 /nfs/dbraw/zinc/06/21/29/201062129.db2.gz MUMROUZBLQEKAH-BFHYXJOUSA-N 1 0 222.376 2.225 20 30 BEEDRO C=CCN1CC[C@H]([NH+](C2CCC2)C2CCC2)C1=O ZINC000429167838 201074506 /nfs/dbraw/zinc/07/45/06/201074506.db2.gz ZDXNSTAQXKULRY-AWEZNQCLSA-N 1 0 248.370 2.180 20 30 BEEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCCC(C)(C)C#N ZINC000429169664 201075124 /nfs/dbraw/zinc/07/51/24/201075124.db2.gz IPZABCPTKLPBMW-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H]1CN(CCCC#N)CC[N@@H+](C2CCC2)C1 ZINC000429363459 201104546 /nfs/dbraw/zinc/10/45/46/201104546.db2.gz JIXDDZDROCGSNJ-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO CC#CCCN1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429384188 201107480 /nfs/dbraw/zinc/10/74/80/201107480.db2.gz JABGQWFYAQYPOP-AWEZNQCLSA-N 1 0 234.387 2.206 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]CC#Cc1ccccc1 ZINC000352881897 366779027 /nfs/dbraw/zinc/77/90/27/366779027.db2.gz KUOHLEMITLTHBW-OAHLLOKOSA-N 1 0 231.339 2.035 20 30 BEEDRO C[C@H]1CN(CCCCC#N)CC[N@@H+](C2CCC2)C1 ZINC000429367713 201103343 /nfs/dbraw/zinc/10/33/43/201103343.db2.gz UHORBXVDJGZCLW-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000579254748 366750098 /nfs/dbraw/zinc/75/00/98/366750098.db2.gz UWHWYAUTVFTITG-UHFFFAOYSA-N 1 0 227.311 2.351 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429565644 201115177 /nfs/dbraw/zinc/11/51/77/201115177.db2.gz SHMUHHQKHQUPRQ-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H](C)CC ZINC000429704506 201125704 /nfs/dbraw/zinc/12/57/04/201125704.db2.gz WEOPPRTZQIHRIR-ZDUSSCGKSA-N 1 0 212.381 2.472 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000429698541 201127345 /nfs/dbraw/zinc/12/73/45/201127345.db2.gz MRKXZFWDMKJYBG-MGPQQGTHSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cccnc1 ZINC000429716391 201128363 /nfs/dbraw/zinc/12/83/63/201128363.db2.gz ONYKGKRKWGJTFE-UHFFFAOYSA-N 1 0 233.359 2.021 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccncc1 ZINC000429710305 201128686 /nfs/dbraw/zinc/12/86/86/201128686.db2.gz VKXQBYKZEVKOLH-UHFFFAOYSA-N 1 0 233.359 2.021 20 30 BEEDRO C[N@H+](C[C@@H]1CCCCO1)[C@H]1CC[C@H](C#N)C1 ZINC000429722333 201129112 /nfs/dbraw/zinc/12/91/12/201129112.db2.gz LKCUYTXUVFWXOS-AVGNSLFASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1CC[C@@H]([N@H+](CCO)CCCCC#N)C1 ZINC000429794631 201132572 /nfs/dbraw/zinc/13/25/72/201132572.db2.gz XMXCPOYFFOUARZ-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC(C)(C)C(=O)NC1CC[NH+](CC)CC1 ZINC000429857282 201133838 /nfs/dbraw/zinc/13/38/38/201133838.db2.gz BMBQBXMILLWZMB-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](C)NC1)C1CC1 ZINC000629534993 361408945 /nfs/dbraw/zinc/40/89/45/361408945.db2.gz CBSVCUGVHLFWNO-XBFCOCLRSA-N 1 0 222.376 2.461 20 30 BEEDRO CCOc1cccc(C[NH2+]CC2(CC#N)CC2)n1 ZINC000430022985 201138531 /nfs/dbraw/zinc/13/85/31/201138531.db2.gz MMXKQPPFEPDOCK-UHFFFAOYSA-N 1 0 245.326 2.264 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)COCC(C)C ZINC000629589116 361475878 /nfs/dbraw/zinc/47/58/78/361475878.db2.gz RSGGIGBBNCTMRZ-ZDUSSCGKSA-N 1 0 243.391 2.212 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(C(=O)OC)CC1 ZINC000188686985 219898977 /nfs/dbraw/zinc/89/89/77/219898977.db2.gz GXDRXWFQFHEACZ-QWRGUYRKSA-N 1 0 225.332 2.130 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)CC(C)(C)C#N ZINC000433295033 201175384 /nfs/dbraw/zinc/17/53/84/201175384.db2.gz OBRKVHRDGLSJTM-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)CC(C)(C)C#N ZINC000433297764 201177699 /nfs/dbraw/zinc/17/76/99/201177699.db2.gz MDXHVSBCIUOULK-UHFFFAOYSA-N 1 0 234.347 2.063 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC)CC1 ZINC000153012670 201215415 /nfs/dbraw/zinc/21/54/15/201215415.db2.gz JQTXVQYQHBWHOX-GFCCVEGCSA-N 1 0 210.365 2.415 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]cc1C ZINC000435583757 201277470 /nfs/dbraw/zinc/27/74/70/201277470.db2.gz KYIWNKJWRJDPKA-OCCSQVGLSA-N 1 0 232.327 2.205 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000435746676 201285697 /nfs/dbraw/zinc/28/56/97/201285697.db2.gz APZDBSQOLMUMFF-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC(C)(C)COC ZINC000435743658 201286121 /nfs/dbraw/zinc/28/61/21/201286121.db2.gz TYXMCCXHEAGARG-OLZOCXBDSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(OCCOC)c1 ZINC000154792846 201298835 /nfs/dbraw/zinc/29/88/35/201298835.db2.gz NVSIKTZYOIXGCL-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CCN(CCC[NH2+]C)Cc1ccccc1F ZINC000435880008 201294023 /nfs/dbraw/zinc/29/40/23/201294023.db2.gz GQWREHKRPYGWQA-UHFFFAOYSA-N 1 0 236.334 2.423 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000436311751 201320368 /nfs/dbraw/zinc/32/03/68/201320368.db2.gz UHJDYWMUDJRXOC-CRWXNKLISA-N 1 0 239.359 2.125 20 30 BEEDRO CC#CCC[N@H+](C[C@@H](C)O)C1CCCCC1 ZINC000155420424 201330836 /nfs/dbraw/zinc/33/08/36/201330836.db2.gz YZKPYLILJZTURE-CYBMUJFWSA-N 1 0 223.360 2.415 20 30 BEEDRO C[C@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1C ZINC000437103547 201343230 /nfs/dbraw/zinc/34/32/30/201343230.db2.gz AMUXCCUEKTUZQW-GRYCIOLGSA-N 1 0 205.305 2.018 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614402262 363806914 /nfs/dbraw/zinc/80/69/14/363806914.db2.gz OPKSGURHTDUTGN-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ncc([C@H](C)N(C)C[C@@H](C)C#N)c(C)n1 ZINC000614530696 363836439 /nfs/dbraw/zinc/83/64/39/363836439.db2.gz VRSWIWBKLRGFLA-ONGXEEELSA-N 1 0 232.331 2.246 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)OC ZINC000272782375 363891578 /nfs/dbraw/zinc/89/15/78/363891578.db2.gz HUKJWIHTRZCHFV-GFCCVEGCSA-N 1 0 232.327 2.415 20 30 BEEDRO CC[NH+](CC)CCNc1ccc(C#N)cc1F ZINC000037507372 364093650 /nfs/dbraw/zinc/09/36/50/364093650.db2.gz WSCMWCYZZMBGJV-UHFFFAOYSA-N 1 0 235.306 2.451 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000452775922 202653610 /nfs/dbraw/zinc/65/36/10/202653610.db2.gz PYSMLOZBFMWFDV-LBPRGKRZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C1CC(C)(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000630627742 364363333 /nfs/dbraw/zinc/36/33/33/364363333.db2.gz VJEIRCVLSOCAHF-UHFFFAOYSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000453158312 202704987 /nfs/dbraw/zinc/70/49/87/202704987.db2.gz AJBPCPQGUYWJMW-BXUZGUMPSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000135511692 364443411 /nfs/dbraw/zinc/44/34/11/364443411.db2.gz OMUQPUORPYXGTQ-VIFPVBQESA-N 1 0 204.248 2.361 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H](C)Cn1cncn1 ZINC000631682000 364523783 /nfs/dbraw/zinc/52/37/83/364523783.db2.gz BPAAQQGGVOGGCN-GFCCVEGCSA-N 1 0 236.363 2.249 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cncs1 ZINC000453339719 202741905 /nfs/dbraw/zinc/74/19/05/202741905.db2.gz BSOQQGZNDNAYQW-BBBLOLIVSA-N 1 0 224.329 2.137 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000453371733 202753201 /nfs/dbraw/zinc/75/32/01/202753201.db2.gz UUJTXQWKCQJAOA-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000453371728 202754050 /nfs/dbraw/zinc/75/40/50/202754050.db2.gz UUJTXQWKCQJAOA-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615299921 364679954 /nfs/dbraw/zinc/67/99/54/364679954.db2.gz BQMAWXITRJWCDJ-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253101869 364682249 /nfs/dbraw/zinc/68/22/49/364682249.db2.gz XOLSQUIEQGOSKS-YNEHKIRRSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615304249 364682417 /nfs/dbraw/zinc/68/24/17/364682417.db2.gz LAEDOFOCOYXFGC-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO CC1(C)C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000453412687 202766800 /nfs/dbraw/zinc/76/68/00/202766800.db2.gz IXWIHYLEXMMTDL-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCCCNC(=O)CC[NH2+]C(C)C ZINC000573338743 364805114 /nfs/dbraw/zinc/80/51/14/364805114.db2.gz WTTWDJLIFPNNOD-UHFFFAOYSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nccn1CC ZINC000296465811 364784766 /nfs/dbraw/zinc/78/47/66/364784766.db2.gz NMRJXTJGDFZYLM-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000602723391 541385205 /nfs/dbraw/zinc/38/52/05/541385205.db2.gz FWAUIOORVNRJAK-FFKWVLBGSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573961503 364954531 /nfs/dbraw/zinc/95/45/31/364954531.db2.gz TVCNMNIWGKJLND-LBPRGKRZSA-N 1 0 227.373 2.161 20 30 BEEDRO C=CCCCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000574167806 365000905 /nfs/dbraw/zinc/00/09/05/365000905.db2.gz UPNXMYNCHCZHSX-UHFFFAOYSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H](C)CS(=O)(=O)CC ZINC000574397792 365052739 /nfs/dbraw/zinc/05/27/39/365052739.db2.gz QEWCSZITLMFCIP-GFCCVEGCSA-N 1 0 247.404 2.098 20 30 BEEDRO Cc1ccc([C@H](CNCCC#N)[NH+]2CCCC2)o1 ZINC000574445162 365062484 /nfs/dbraw/zinc/06/24/84/365062484.db2.gz RYIZYBACJJDXJG-ZDUSSCGKSA-N 1 0 247.342 2.228 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000442779477 192989649 /nfs/dbraw/zinc/98/96/49/192989649.db2.gz ISLZPRLAJGSFMC-OLZOCXBDSA-N 1 0 236.359 2.211 20 30 BEEDRO COC(=O)CC1([NH2+]CCCC(C)(C)C#N)CC1 ZINC000574641424 365110416 /nfs/dbraw/zinc/11/04/16/365110416.db2.gz UGABUABGWRZDBQ-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO COCCC1(C[NH2+]CCC#N)CCCC1 ZINC000574684072 365120018 /nfs/dbraw/zinc/12/00/18/365120018.db2.gz DEUNSCODSOIDML-UHFFFAOYSA-N 1 0 210.321 2.087 20 30 BEEDRO CCOC1CC([NH2+]CC2CCC(C#N)CC2)C1 ZINC000442858732 192997053 /nfs/dbraw/zinc/99/70/53/192997053.db2.gz SVGCNVFHXMWTST-UHFFFAOYSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)[C@H](C)[NH2+]C ZINC000574704459 365128436 /nfs/dbraw/zinc/12/84/36/365128436.db2.gz WZYRHILFEFYDBJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443332727 193017421 /nfs/dbraw/zinc/01/74/21/193017421.db2.gz YGGOBCDZDJQBTF-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000442902287 193002634 /nfs/dbraw/zinc/00/26/34/193002634.db2.gz QDKWQVRZSBDDPL-LALPHHSUSA-N 1 0 244.338 2.322 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](CO)CC(C)C)ccc1C#N ZINC000443969002 193032605 /nfs/dbraw/zinc/03/26/05/193032605.db2.gz QWGKWQAICDZBNW-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO Cc1cc(C[NH2+][C@H](CO)CC(C)C)ccc1C#N ZINC000443969001 193032686 /nfs/dbraw/zinc/03/26/86/193032686.db2.gz QWGKWQAICDZBNW-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(F)c1 ZINC000379872167 541458306 /nfs/dbraw/zinc/45/83/06/541458306.db2.gz QYMFIGXJTHXNLP-UHFFFAOYSA-N 1 0 209.264 2.118 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCCC#N)CS1 ZINC000336695439 365359103 /nfs/dbraw/zinc/35/91/03/365359103.db2.gz SOJGXZWGYYYSQF-GHMZBOCLSA-N 1 0 212.362 2.410 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCCC#N)CS1 ZINC000336695441 365359440 /nfs/dbraw/zinc/35/94/40/365359440.db2.gz SOJGXZWGYYYSQF-QWRGUYRKSA-N 1 0 212.362 2.410 20 30 BEEDRO CCc1cnc(C[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000336726624 365364564 /nfs/dbraw/zinc/36/45/64/365364564.db2.gz CIFIYBBZNSJRRF-UWVGGRQHSA-N 1 0 235.356 2.487 20 30 BEEDRO CCc1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000336726625 365365229 /nfs/dbraw/zinc/36/52/29/365365229.db2.gz CIFIYBBZNSJRRF-VHSXEESVSA-N 1 0 235.356 2.487 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@H](CF)C1 ZINC000580533329 365334663 /nfs/dbraw/zinc/33/46/63/365334663.db2.gz PVCCYUDEHLBWHF-NSHDSACASA-N 1 0 201.285 2.013 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)C1CCSCC1 ZINC000379877536 365335154 /nfs/dbraw/zinc/33/51/54/365335154.db2.gz AXKFIMOIIKEIKY-SNVBAGLBSA-N 1 0 224.373 2.411 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000379876382 365335299 /nfs/dbraw/zinc/33/52/99/365335299.db2.gz AJEIBIJONZTOAY-YNEHKIRRSA-N 1 0 211.349 2.338 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000336730394 365366274 /nfs/dbraw/zinc/36/62/74/365366274.db2.gz JZEWMKWZJPNFME-CMPLNLGQSA-N 1 0 204.317 2.458 20 30 BEEDRO Cc1cn(CC[NH+]2CCCCC2)cc1C#N ZINC000575884302 365404671 /nfs/dbraw/zinc/40/46/71/365404671.db2.gz QLVVDANBHOOPDP-UHFFFAOYSA-N 1 0 217.316 2.154 20 30 BEEDRO Cc1ccsc1C[N@H+](C)CCOCCC#N ZINC000338886059 365440243 /nfs/dbraw/zinc/44/02/43/365440243.db2.gz YQMXLDAAYLCNPN-UHFFFAOYSA-N 1 0 238.356 2.419 20 30 BEEDRO CC[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000338898548 365440926 /nfs/dbraw/zinc/44/09/26/365440926.db2.gz VRYYWVIXRPRBOR-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@H]1CCC[N@H+](CCOCCC#N)CC1 ZINC000338932731 365442106 /nfs/dbraw/zinc/44/21/06/365442106.db2.gz BYEWOBZBFRCXCQ-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCOCCC#N ZINC000339096041 365448196 /nfs/dbraw/zinc/44/81/96/365448196.db2.gz HCGGQOUOFXNCOV-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(C)C[NH2+][C@H](CCO)c1ccc(OC)cc1 ZINC000182414017 366899759 /nfs/dbraw/zinc/89/97/59/366899759.db2.gz KAJGVWJOGKRVKO-CQSZACIVSA-N 1 0 235.327 2.284 20 30 BEEDRO C=CC1CC[NH+](CCCn2ccnc2)CC1 ZINC000182776534 366939848 /nfs/dbraw/zinc/93/98/48/366939848.db2.gz BOGGNMUTTLVIGT-UHFFFAOYSA-N 1 0 219.332 2.171 20 30 BEEDRO CC[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCOC1 ZINC000361595392 366951042 /nfs/dbraw/zinc/95/10/42/366951042.db2.gz NLMNWHWZFMUQAQ-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000183826557 367051805 /nfs/dbraw/zinc/05/18/05/367051805.db2.gz FHFSADXCVWHPGM-CYBMUJFWSA-N 1 0 243.354 2.405 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000579939485 367092742 /nfs/dbraw/zinc/09/27/42/367092742.db2.gz WEOHQYKKKVRRMP-JTQLQIEISA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1c(F)cccc1F ZINC000068610611 370820378 /nfs/dbraw/zinc/82/03/78/370820378.db2.gz NMCVPPVYHYKUAT-VIFPVBQESA-N 1 0 224.254 2.399 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1c(F)cccc1F ZINC000068610616 370820518 /nfs/dbraw/zinc/82/05/18/370820518.db2.gz NMCVPPVYHYKUAT-SECBINFHSA-N 1 0 224.254 2.399 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765788 370844096 /nfs/dbraw/zinc/84/40/96/370844096.db2.gz XOSUWDUPJCDMQI-SNVBAGLBSA-N 1 0 215.300 2.184 20 30 BEEDRO N#CCCCC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000580938105 367210892 /nfs/dbraw/zinc/21/08/92/367210892.db2.gz QITIRLFIIXAKKV-GFCCVEGCSA-N 1 0 222.332 2.060 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000581072342 367254183 /nfs/dbraw/zinc/25/41/83/367254183.db2.gz XUHOTNZMDZWPKB-NEPJUHHUSA-N 1 0 232.327 2.266 20 30 BEEDRO C#CC[N@@H+](CC)CCCCCC(=O)OCC ZINC000382529725 367533589 /nfs/dbraw/zinc/53/35/89/367533589.db2.gz JTZJTVREBGUPSU-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO CC[C@H](COC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000382286553 367504290 /nfs/dbraw/zinc/50/42/90/367504290.db2.gz KBIPTSCXOVPEQP-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000382329294 367508318 /nfs/dbraw/zinc/50/83/18/367508318.db2.gz WAOKPQMBNQUREK-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000382365727 367512778 /nfs/dbraw/zinc/51/27/78/367512778.db2.gz BLDXDJKGQWCOHP-MNOVXSKESA-N 1 0 205.305 2.208 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]CC(C)(C)CCC#N ZINC000384447538 367691752 /nfs/dbraw/zinc/69/17/52/367691752.db2.gz ZZHHGWDMFFCFOT-LBPRGKRZSA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000615438887 367697543 /nfs/dbraw/zinc/69/75/43/367697543.db2.gz HUHOCEGGVWVFOL-XHDPSFHLSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000384884724 367750364 /nfs/dbraw/zinc/75/03/64/367750364.db2.gz VYSDBONCWMUMFC-UHFFFAOYSA-N 1 0 238.356 2.149 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CCn2ccnc21 ZINC000384889601 367752457 /nfs/dbraw/zinc/75/24/57/367752457.db2.gz XQVFXSOMIWOQIS-JTQLQIEISA-N 1 0 205.305 2.130 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cncn1CC ZINC000384920642 367757378 /nfs/dbraw/zinc/75/73/78/367757378.db2.gz FIMUXULTDMOEMM-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000384651034 367711792 /nfs/dbraw/zinc/71/17/92/367711792.db2.gz UOJJCIYPOZGAAT-OUAUKWLOSA-N 1 0 215.362 2.061 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1nccn1CC ZINC000385029698 367776015 /nfs/dbraw/zinc/77/60/15/367776015.db2.gz KIPQEURERYJQES-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc(C)nn1C ZINC000385040218 367777428 /nfs/dbraw/zinc/77/74/28/367777428.db2.gz NMLPMMSHESPGGD-UHFFFAOYSA-N 1 0 207.321 2.030 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(CO)o1 ZINC000385038923 367777842 /nfs/dbraw/zinc/77/78/42/367777842.db2.gz NBOQDXWVZVROTJ-UHFFFAOYSA-N 1 0 209.289 2.074 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnccn1 ZINC000385077092 367784043 /nfs/dbraw/zinc/78/40/43/367784043.db2.gz XSSQMWYLNYARCW-SNVBAGLBSA-N 1 0 205.305 2.339 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccncc1C)C(C)C ZINC000385076028 367784485 /nfs/dbraw/zinc/78/44/85/367784485.db2.gz XOFKTLUEAKHMBN-CYBMUJFWSA-N 1 0 202.301 2.137 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000252715014 367828914 /nfs/dbraw/zinc/82/89/14/367828914.db2.gz UIGRHHWEVIKLDL-YNEHKIRRSA-N 1 0 210.365 2.271 20 30 BEEDRO CSCC1CCC([NH2+]CCC#N)CC1 ZINC000385536281 367842594 /nfs/dbraw/zinc/84/25/94/367842594.db2.gz VAKKDJKRMHMYET-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000385614902 367846639 /nfs/dbraw/zinc/84/66/39/367846639.db2.gz FYTVXACCQQOPPF-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(OC)ns1 ZINC000399253984 368047331 /nfs/dbraw/zinc/04/73/31/368047331.db2.gz GLHAOTBHBNSAOP-MRVPVSSYSA-N 1 0 212.318 2.206 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](O)C(F)F ZINC000631695884 368007265 /nfs/dbraw/zinc/00/72/65/368007265.db2.gz CASCMKJLBQQDGE-GUBZILKMSA-N 1 0 221.291 2.193 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](O)C(F)F ZINC000631695886 368007659 /nfs/dbraw/zinc/00/76/59/368007659.db2.gz CASCMKJLBQQDGE-LPEHRKFASA-N 1 0 221.291 2.193 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000386718332 368012869 /nfs/dbraw/zinc/01/28/69/368012869.db2.gz RIAGPEDZFCGYFQ-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnn(CCC)c1 ZINC000386791960 368022767 /nfs/dbraw/zinc/02/27/67/368022767.db2.gz AIENMNCXJLOTES-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=C(C)CC[NH2+]Cc1nc(C#N)cs1 ZINC000386863131 368030058 /nfs/dbraw/zinc/03/00/58/368030058.db2.gz JUAVEFXOIZYLDD-UHFFFAOYSA-N 1 0 207.302 2.071 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000566408183 326040497 /nfs/dbraw/zinc/04/04/97/326040497.db2.gz YPMAAEHMZXTTQR-WDEREUQCSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443990163 201606375 /nfs/dbraw/zinc/60/63/75/201606375.db2.gz QRQOIDIEJBBTCR-CQSZACIVSA-N 1 0 244.338 2.141 20 30 BEEDRO C=CC[N@@H+](CCCO)Cc1ccc(OC)cc1 ZINC000056495310 368471709 /nfs/dbraw/zinc/47/17/09/368471709.db2.gz BBDIIVDTAWNPAB-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C[C@@H](c1cccnc1)[NH+]1CCC(C#N)CC1 ZINC000057875291 368503196 /nfs/dbraw/zinc/50/31/96/368503196.db2.gz STVWIFMSVIOOAP-NSHDSACASA-N 1 0 215.300 2.378 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(C#N)c1 ZINC000063300188 368583119 /nfs/dbraw/zinc/58/31/19/368583119.db2.gz VFZVBODTBZCLLA-UHFFFAOYSA-N 1 0 230.311 2.193 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000456810121 202976145 /nfs/dbraw/zinc/97/61/45/202976145.db2.gz DPDPWLKOSQFERJ-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO C#CC[N@H+](CCn1cccn1)C1CCCCC1 ZINC000065959867 368636486 /nfs/dbraw/zinc/63/64/86/368636486.db2.gz RMQVFNJUPNFYDH-UHFFFAOYSA-N 1 0 231.343 2.151 20 30 BEEDRO C=CCNC(=[NH2+])NCCCC1CCCC1 ZINC000066242205 368642453 /nfs/dbraw/zinc/64/24/53/368642453.db2.gz IRPJNGIGPKHPBE-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(OC)c(F)c1 ZINC000067385693 368687297 /nfs/dbraw/zinc/68/72/97/368687297.db2.gz OTKWIUKEJGDLTI-UHFFFAOYSA-N 1 0 226.251 2.033 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000259649768 370928198 /nfs/dbraw/zinc/92/81/98/370928198.db2.gz BLIFAALEOZTZHF-NWDGAFQWSA-N 1 0 224.373 2.365 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457371169 203046088 /nfs/dbraw/zinc/04/60/88/203046088.db2.gz QYLBOCIXDQIQRP-RNJOBUHISA-N 1 0 238.375 2.173 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069033605 368744916 /nfs/dbraw/zinc/74/49/16/368744916.db2.gz NGFNTBPQQFOSHB-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000616014884 368885355 /nfs/dbraw/zinc/88/53/55/368885355.db2.gz FHYILHTXIXWINL-NWDGAFQWSA-N 1 0 232.331 2.281 20 30 BEEDRO CCOC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000616176501 369008034 /nfs/dbraw/zinc/00/80/34/369008034.db2.gz QRBWWDXIMBUVBY-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO Cc1cc(C[NH2+][C@H](CO)CC2CC2)ccc1C#N ZINC000618195227 369086294 /nfs/dbraw/zinc/08/62/94/369086294.db2.gz OFAMGXWVQZIHAE-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC12CCOCC2 ZINC000618318173 369118980 /nfs/dbraw/zinc/11/89/80/369118980.db2.gz GVDKJWQSAZNMBE-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000618570501 369172784 /nfs/dbraw/zinc/17/27/84/369172784.db2.gz LNCGYDVAFMNVEM-RRFJBIMHSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458214550 203146038 /nfs/dbraw/zinc/14/60/38/203146038.db2.gz SQMZUJZPGDYQKI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cn[nH]c1 ZINC000618743190 369206730 /nfs/dbraw/zinc/20/67/30/369206730.db2.gz ZRSNZCDOEZHACJ-AWEZNQCLSA-N 1 0 238.294 2.058 20 30 BEEDRO N#Cc1ccc(CNc2cc3cc[nH]c3cn2)cc1 ZINC000618898182 369234877 /nfs/dbraw/zinc/23/48/77/369234877.db2.gz PKDLKBJCAJOLHX-UHFFFAOYSA-N 1 0 248.289 2.469 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+][C@@H]1CCCOC1 ZINC000618807981 369219389 /nfs/dbraw/zinc/21/93/89/369219389.db2.gz YERPFRXAXVMLMY-UKRRQHHQSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC000156220104 326223109 /nfs/dbraw/zinc/22/31/09/326223109.db2.gz RMOXHZJHRZUREY-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)CC[NH+]1[C@H](C)CN(CC)C[C@H]1C ZINC000459455587 203285431 /nfs/dbraw/zinc/28/54/31/203285431.db2.gz GJJWVJDDSXCXSZ-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000459511895 203293494 /nfs/dbraw/zinc/29/34/94/203293494.db2.gz YHQORXMVYPWIAO-UTUOFQBUSA-N 1 0 229.389 2.451 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000459453552 203283743 /nfs/dbraw/zinc/28/37/43/203283743.db2.gz XPBFSTBFUPOEPA-LNFKQOIKSA-N 1 0 215.362 2.060 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000400108396 369342217 /nfs/dbraw/zinc/34/22/17/369342217.db2.gz DPOYZXSLVGOCBA-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO CC#CCC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459597039 203310984 /nfs/dbraw/zinc/31/09/84/203310984.db2.gz PHCOTSVRGMTVSS-UHFFFAOYSA-N 1 0 233.359 2.292 20 30 BEEDRO C=CCOc1ccccc1C[NH+]1CC(CCO)C1 ZINC000459596600 203312627 /nfs/dbraw/zinc/31/26/27/203312627.db2.gz SRNNHISWTAMNBS-UHFFFAOYSA-N 1 0 247.338 2.066 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(C)on1 ZINC000459548701 203298298 /nfs/dbraw/zinc/29/82/98/203298298.db2.gz XWHVVKLSTLGKBM-WCQYABFASA-N 1 0 236.315 2.054 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403645120 369408251 /nfs/dbraw/zinc/40/82/51/369408251.db2.gz IIFPAKAUKMOJGS-GARJFASQSA-N 1 0 216.284 2.429 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000459627386 203321023 /nfs/dbraw/zinc/32/10/23/203321023.db2.gz DVVFLGFXVAKUPA-ZDEQEGDKSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccns1 ZINC000404405229 369428060 /nfs/dbraw/zinc/42/80/60/369428060.db2.gz CUDHUUWXVHEPRX-UHFFFAOYSA-N 1 0 214.359 2.152 20 30 BEEDRO CC(C)O[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000404495349 369430514 /nfs/dbraw/zinc/43/05/14/369430514.db2.gz UJEUFFCERRMQKI-LBPRGKRZSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)s1)[C@H]1CCOC1 ZINC000361236823 369439946 /nfs/dbraw/zinc/43/99/46/369439946.db2.gz LOZXINMWDLXWFX-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO N#Cc1cccc2c1C[N@H+]([C@@H]1CCCC[C@H]1O)C2 ZINC000405062291 369443265 /nfs/dbraw/zinc/44/32/65/369443265.db2.gz SIEYTMGARNXZSH-HUUCEWRRSA-N 1 0 242.322 2.177 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCSC1 ZINC000619568700 369482985 /nfs/dbraw/zinc/48/29/85/369482985.db2.gz UZURXTVEAQAFEY-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCSC1 ZINC000619568699 369483014 /nfs/dbraw/zinc/48/30/14/369483014.db2.gz UZURXTVEAQAFEY-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CN1C1CC1 ZINC000459726763 203342521 /nfs/dbraw/zinc/34/25/21/203342521.db2.gz FNIUBJKASYTBLG-RYUDHWBXSA-N 1 0 235.375 2.141 20 30 BEEDRO COc1cccc(C[NH2+]CC(C)(C)CC#N)n1 ZINC000459730380 203343508 /nfs/dbraw/zinc/34/35/08/203343508.db2.gz LWACMDIMFZXLQO-UHFFFAOYSA-N 1 0 233.315 2.120 20 30 BEEDRO COc1c(O)cccc1C[NH2+]CC(C)(C)CC#N ZINC000459729785 203344788 /nfs/dbraw/zinc/34/47/88/203344788.db2.gz KUASWYQPCDLANA-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000459728313 203345524 /nfs/dbraw/zinc/34/55/24/203345524.db2.gz IRYUDQPSNLASRW-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)[C@H](C)O1 ZINC000459737794 203347396 /nfs/dbraw/zinc/34/73/96/203347396.db2.gz WTVPWTHNLPGUFJ-VWYCJHECSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)O1 ZINC000459737792 203347701 /nfs/dbraw/zinc/34/77/01/203347701.db2.gz WTVPWTHNLPGUFJ-MXWKQRLJSA-N 1 0 210.321 2.082 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000459770350 203362252 /nfs/dbraw/zinc/36/22/52/203362252.db2.gz CHRJRJUMNNCZJF-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459772491 203362603 /nfs/dbraw/zinc/36/26/03/203362603.db2.gz IBVXYQSQVIKVTG-FRRDWIJNSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)CCO1 ZINC000260065509 370969478 /nfs/dbraw/zinc/96/94/78/370969478.db2.gz OPMBVSFBQFYTEI-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1ccn(C)n1 ZINC000459801513 203374715 /nfs/dbraw/zinc/37/47/15/203374715.db2.gz XSEHDTTXQARQKT-JTQLQIEISA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](C[N@H+](C)CCCC#N)C(=O)OC(C)(C)C ZINC000459804256 203374730 /nfs/dbraw/zinc/37/47/30/203374730.db2.gz KTHKGXYDFBGTQB-LLVKDONJSA-N 1 0 240.347 2.200 20 30 BEEDRO CCC1(O)CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000619672968 369521281 /nfs/dbraw/zinc/52/12/81/369521281.db2.gz SVHDGQAYQQJKLB-AHPWVWPOSA-N 1 0 236.359 2.352 20 30 BEEDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1 ZINC000600703016 369559603 /nfs/dbraw/zinc/55/96/03/369559603.db2.gz JOEUZNFOMWGQCW-HNNXBMFYSA-N 1 0 243.354 2.051 20 30 BEEDRO N#Cc1ccc(CN[C@H](C[NH3+])C2CCCCC2)o1 ZINC000600769272 369562707 /nfs/dbraw/zinc/56/27/07/369562707.db2.gz LBFBNWOTVZJLNF-CQSZACIVSA-N 1 0 247.342 2.148 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000601292119 369620419 /nfs/dbraw/zinc/62/04/19/369620419.db2.gz SGOOQSDNKMAPFR-JLLWLGSASA-N 1 0 248.301 2.119 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H]2CCC[C@@H]2[NH+](C)C)n1 ZINC000601150779 369597675 /nfs/dbraw/zinc/59/76/75/369597675.db2.gz CSZQCQKTIPQKMX-STQMWFEESA-N 1 0 244.342 2.156 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619896888 369627924 /nfs/dbraw/zinc/62/79/24/369627924.db2.gz APBDGAPDKZUXIM-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[NH+](CC)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000567989671 326292632 /nfs/dbraw/zinc/29/26/32/326292632.db2.gz NDVDTOQHEQLHRX-UHFFFAOYSA-N 1 0 233.271 2.308 20 30 BEEDRO CC[C@H](C[NH2+]Cc1cccc(F)c1C#N)OC ZINC000602025903 369738172 /nfs/dbraw/zinc/73/81/72/369738172.db2.gz RNIRBNDPYSTXLU-LLVKDONJSA-N 1 0 236.290 2.212 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CCSC1 ZINC000602012056 369734955 /nfs/dbraw/zinc/73/49/55/369734955.db2.gz PXBSUGUBTZNLBU-JTQLQIEISA-N 1 0 236.315 2.292 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CCO1 ZINC000602015623 369735377 /nfs/dbraw/zinc/73/53/77/369735377.db2.gz OGLFAPNINCYVLM-PWSUYJOCSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602024463 369736764 /nfs/dbraw/zinc/73/67/64/369736764.db2.gz NJKSBAOTUZHYPI-NXEZZACHSA-N 1 0 236.290 2.210 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc(F)c2C#N)O1 ZINC000602019852 369736858 /nfs/dbraw/zinc/73/68/58/369736858.db2.gz JWOVMQPCGIHKOY-CMPLNLGQSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H](C[NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602521074 369805323 /nfs/dbraw/zinc/80/53/23/369805323.db2.gz LNKGKLVXRJMTHL-SNVBAGLBSA-N 1 0 215.300 2.089 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602520521 369805396 /nfs/dbraw/zinc/80/53/96/369805396.db2.gz HHIDDFIVPDODOW-MNOVXSKESA-N 1 0 217.316 2.477 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]Cc1cccc(C#N)n1)OC ZINC000602675500 369839921 /nfs/dbraw/zinc/83/99/21/369839921.db2.gz UCBUSIVMYIBCFD-FZMZJTMJSA-N 1 0 247.342 2.104 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)C1CCC1 ZINC000602577788 369816260 /nfs/dbraw/zinc/81/62/60/369816260.db2.gz BGWAOFHTBKAWBZ-JTQLQIEISA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)[C@@H]1CCCCO1 ZINC000602588275 369818740 /nfs/dbraw/zinc/81/87/40/369818740.db2.gz UMOZVIYHRXLDQM-FZMZJTMJSA-N 1 0 245.326 2.000 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+]Cc2cccc(C#N)n2)O1 ZINC000602626021 369830914 /nfs/dbraw/zinc/83/09/14/369830914.db2.gz WSGWDSRBJODXBY-CYBMUJFWSA-N 1 0 245.326 2.000 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2(C(F)F)CC2)n1 ZINC000602644477 369833665 /nfs/dbraw/zinc/83/36/65/369833665.db2.gz RMZHOFQXGOVODY-UHFFFAOYSA-N 1 0 237.253 2.088 20 30 BEEDRO CC1=CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602647291 369834014 /nfs/dbraw/zinc/83/40/14/369834014.db2.gz ZLYBMTKZBIYSKJ-UHFFFAOYSA-N 1 0 213.284 2.105 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000602687649 369841485 /nfs/dbraw/zinc/84/14/85/369841485.db2.gz OVKZOJNJWXUDMS-SWHYSGLUSA-N 1 0 227.311 2.231 20 30 BEEDRO COCC[N@@H+](Cc1cccc(C#N)n1)CC(C)C ZINC000602444071 369789613 /nfs/dbraw/zinc/78/96/13/369789613.db2.gz KDHLOOIHSBSZKJ-UHFFFAOYSA-N 1 0 247.342 2.058 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602717728 369845575 /nfs/dbraw/zinc/84/55/75/369845575.db2.gz NOJZXEQHKQYUEQ-ZDUSSCGKSA-N 1 0 215.300 2.231 20 30 BEEDRO CCN(C#N)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000602806187 369852588 /nfs/dbraw/zinc/85/25/88/369852588.db2.gz PKYVFZNXMYBSLP-GFCCVEGCSA-N 1 0 242.326 2.012 20 30 BEEDRO CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602909198 369863135 /nfs/dbraw/zinc/86/31/35/369863135.db2.gz ISXYXEDFIAOEEY-UHFFFAOYSA-N 1 0 215.300 2.153 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)cc1C#N ZINC000602930035 369865897 /nfs/dbraw/zinc/86/58/97/369865897.db2.gz DJNJXUPYIGPKNG-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)[C@H](CO)C1 ZINC000602930845 369866615 /nfs/dbraw/zinc/86/66/15/369866615.db2.gz KDOKAYYACMERDO-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388194386 369902167 /nfs/dbraw/zinc/90/21/67/369902167.db2.gz NOFOMGAZBJGXOS-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CCO1 ZINC000602697817 369842605 /nfs/dbraw/zinc/84/26/05/369842605.db2.gz MIZSGGOJJIFXIJ-RISCZKNCSA-N 1 0 245.326 2.000 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)n1 ZINC000602692860 369842688 /nfs/dbraw/zinc/84/26/88/369842688.db2.gz CWESUKLKPUBCKJ-UONOGXRCSA-N 1 0 227.311 2.231 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CCO1 ZINC000602697819 369842873 /nfs/dbraw/zinc/84/28/73/369842873.db2.gz MIZSGGOJJIFXIJ-SMDDNHRTSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)[C@@H](C)[C@H]1C ZINC000602694821 369843039 /nfs/dbraw/zinc/84/30/39/369843039.db2.gz KIDONLYJEJMUKZ-WOPDTQHZSA-N 1 0 229.327 2.430 20 30 BEEDRO COC1CCC([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602691228 369843095 /nfs/dbraw/zinc/84/30/95/369843095.db2.gz OTZIAIIGQZERPQ-UHFFFAOYSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCCC(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000620624452 369967434 /nfs/dbraw/zinc/96/74/34/369967434.db2.gz WIASJEALWAYSGI-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CC[C@H](CC(C)C)C1 ZINC000307814707 370048499 /nfs/dbraw/zinc/04/84/99/370048499.db2.gz LGBGBEYMJVJXQS-NEPJUHHUSA-N 1 0 225.332 2.082 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCc1ccncc1 ZINC000568181387 326321444 /nfs/dbraw/zinc/32/14/44/326321444.db2.gz RPETWKBWTUIIMC-ZDUSSCGKSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1cccc(F)c1F ZINC000309746018 370253246 /nfs/dbraw/zinc/25/32/46/370253246.db2.gz JDUQJEXMYCABBP-SECBINFHSA-N 1 0 224.254 2.399 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCO[C@@H]1CCCC[C@@H]1C ZINC000309757865 370255968 /nfs/dbraw/zinc/25/59/68/370255968.db2.gz LWVCWAOESBDDSL-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1nsc(N[C@H](C)c2ncc[nH]2)c1C#N ZINC000309900308 370273529 /nfs/dbraw/zinc/27/35/29/370273529.db2.gz HICCWWKQVPLBEW-SSDOTTSWSA-N 1 0 233.300 2.219 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000310617653 370357351 /nfs/dbraw/zinc/35/73/51/370357351.db2.gz GZNIBOLIUQMREF-SWLSCSKDSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCCCN(C)C(=O)CCC1CC[NH2+]CC1 ZINC000161592647 370542807 /nfs/dbraw/zinc/54/28/07/370542807.db2.gz BAGRAJIHSFHXCJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069891007 370993934 /nfs/dbraw/zinc/99/39/34/370993934.db2.gz AFUGIKFOCWFKCO-WDEREUQCSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCCO1 ZINC000379252560 371063888 /nfs/dbraw/zinc/06/38/88/371063888.db2.gz GNYRUONXSRCMKY-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000568975280 326384195 /nfs/dbraw/zinc/38/41/95/326384195.db2.gz DBIBEPDECLXKQE-QWRGUYRKSA-N 1 0 241.285 2.455 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092938799 371129897 /nfs/dbraw/zinc/12/98/97/371129897.db2.gz ZJMDIQVUZAOHPP-GFCCVEGCSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623920740 371154226 /nfs/dbraw/zinc/15/42/26/371154226.db2.gz WNBDOSZKYCHAMF-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000569216228 326395251 /nfs/dbraw/zinc/39/52/51/326395251.db2.gz XHYNRQWUSKPRNK-TUAOUCFPSA-N 1 0 205.305 2.066 20 30 BEEDRO CC1(C)C[NH+](Cc2cccc(C#N)c2)C1 ZINC000093965714 371190756 /nfs/dbraw/zinc/19/07/56/371190756.db2.gz MRZRANRZYBXUFO-UHFFFAOYSA-N 1 0 200.285 2.400 20 30 BEEDRO CC(C)(C)OCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000390274238 371190914 /nfs/dbraw/zinc/19/09/14/371190914.db2.gz SMIPMRBUFJOJJJ-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623959017 371197644 /nfs/dbraw/zinc/19/76/44/371197644.db2.gz DKINGIALPMOXOA-NXEZZACHSA-N 1 0 226.345 2.039 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2scnc21 ZINC000623959171 371197716 /nfs/dbraw/zinc/19/77/16/371197716.db2.gz IUCZHBXGHNVZFQ-VHSXEESVSA-N 1 0 238.356 2.047 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2scnc21 ZINC000623959170 371197788 /nfs/dbraw/zinc/19/77/88/371197788.db2.gz IUCZHBXGHNVZFQ-UWVGGRQHSA-N 1 0 238.356 2.047 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1nccc(C)c1C#N ZINC000124880828 371249157 /nfs/dbraw/zinc/24/91/57/371249157.db2.gz XMOKWCVNTUGXTC-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@H]1C[C@H](Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000155801041 371297025 /nfs/dbraw/zinc/29/70/25/371297025.db2.gz RTQGMDLNLCUBBZ-SMDDNHRTSA-N 1 0 229.327 2.453 20 30 BEEDRO C[C@@H]1C[C@H](Nc2cccc(C#N)c2)CC[N@@H+]1C ZINC000155800928 371297613 /nfs/dbraw/zinc/29/76/13/371297613.db2.gz RTQGMDLNLCUBBZ-BXUZGUMPSA-N 1 0 229.327 2.453 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)Cn1cccn1 ZINC000624037341 371264939 /nfs/dbraw/zinc/26/49/39/371264939.db2.gz WNYWRKHVAVESCP-GFCCVEGCSA-N 1 0 221.348 2.464 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000624037266 371265267 /nfs/dbraw/zinc/26/52/67/371265267.db2.gz TUCKQZCNXCGYMJ-JTQLQIEISA-N 1 0 235.331 2.435 20 30 BEEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1C#N ZINC001642829652 1172410292 /nfs/dbraw/zinc/41/02/92/1172410292.db2.gz FCEZNPDOBKTYGV-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000624088093 371299410 /nfs/dbraw/zinc/29/94/10/371299410.db2.gz ZYBGFVLFLQECRU-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCCO1 ZINC000624090191 371300169 /nfs/dbraw/zinc/30/01/69/371300169.db2.gz NFXCBVXCZUAHTJ-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCCN1C ZINC000624100894 371306919 /nfs/dbraw/zinc/30/69/19/371306919.db2.gz UIGRHHWEVIKLDL-JHJVBQTASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1COCCN1C ZINC000624177041 371368128 /nfs/dbraw/zinc/36/81/28/371368128.db2.gz WMXNFSFWULNAIN-UONOGXRCSA-N 1 0 240.391 2.042 20 30 BEEDRO Cc1cccc(CC[NH2+]Cc2ccc(C#N)o2)n1 ZINC000280626258 371338811 /nfs/dbraw/zinc/33/88/11/371338811.db2.gz PYKZIRXIRGRSBJ-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC001642841875 1172412547 /nfs/dbraw/zinc/41/25/47/1172412547.db2.gz SNKNWXRKHHNSMM-OUKQBFOZSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000624324572 371482738 /nfs/dbraw/zinc/48/27/38/371482738.db2.gz OXRHPGQGIIVYEJ-MNOVXSKESA-N 1 0 234.334 2.374 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000392799364 371457108 /nfs/dbraw/zinc/45/71/08/371457108.db2.gz PXNHITCXNSYIHO-UHFFFAOYSA-N 1 0 233.315 2.207 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)C1CC1 ZINC000624299682 371465770 /nfs/dbraw/zinc/46/57/70/371465770.db2.gz SDCDTBVTAWYCSB-AVGNSLFASA-N 1 0 209.333 2.498 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C[C@H](C)O1 ZINC000572944244 326419879 /nfs/dbraw/zinc/41/98/79/326419879.db2.gz ISLYCLMYACABPO-ZSBIGDGJSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000624324573 371482502 /nfs/dbraw/zinc/48/25/02/371482502.db2.gz OXRHPGQGIIVYEJ-QWRGUYRKSA-N 1 0 234.334 2.374 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000334741030 371519370 /nfs/dbraw/zinc/51/93/70/371519370.db2.gz YDLDWWFIACWYKO-ZWNOBZJWSA-N 1 0 234.299 2.008 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000334741029 371519449 /nfs/dbraw/zinc/51/94/49/371519449.db2.gz YDLDWWFIACWYKO-MFKMUULPSA-N 1 0 234.299 2.008 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(C#N)o1 ZINC001642918004 1172417981 /nfs/dbraw/zinc/41/79/81/1172417981.db2.gz SYGFMNFYAPBUAE-UHFFFAOYSA-N 1 0 247.342 2.091 20 30 BEEDRO CC[C@]1(O)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000602738255 371836647 /nfs/dbraw/zinc/83/66/47/371836647.db2.gz CIFIROQTVGLDRN-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1CCC(O)CC1 ZINC000227615953 371905505 /nfs/dbraw/zinc/90/55/05/371905505.db2.gz OWVFYJIXXGNZQA-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C1 ZINC000631199207 372230626 /nfs/dbraw/zinc/23/06/26/372230626.db2.gz YRSDYEKZWHXMNL-WUHRBBMRSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000631237196 372253862 /nfs/dbraw/zinc/25/38/62/372253862.db2.gz DSHKWCKMAYOQNA-CYBMUJFWSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000631392348 372332243 /nfs/dbraw/zinc/33/22/43/372332243.db2.gz BUQSLCCYMGXSLC-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2ncccc21 ZINC000631633102 372471310 /nfs/dbraw/zinc/47/13/10/372471310.db2.gz UYZIDPWDBRHGBE-ZNMIVQPWSA-N 1 0 244.338 2.392 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631632430 372471340 /nfs/dbraw/zinc/47/13/40/372471340.db2.gz NJOXGCWCFUQKRF-AVGNSLFASA-N 1 0 221.344 2.500 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631672125 372498551 /nfs/dbraw/zinc/49/85/51/372498551.db2.gz JWFIGQJENUUFQU-FQUUOJAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000632520210 372985678 /nfs/dbraw/zinc/98/56/78/372985678.db2.gz GBCRKYPEXUWJBM-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000632849834 373187776 /nfs/dbraw/zinc/18/77/76/373187776.db2.gz QUKXXNLHXLYDBK-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)C1 ZINC001643169396 1172443091 /nfs/dbraw/zinc/44/30/91/1172443091.db2.gz BPQIGZQBUBLTRZ-KHMAMNHCSA-N 1 0 248.370 2.304 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000336739305 205692268 /nfs/dbraw/zinc/69/22/68/205692268.db2.gz SKGPPVKPNGGTFY-RWMBFGLXSA-N 1 0 210.365 2.271 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000040773908 373700366 /nfs/dbraw/zinc/70/03/66/373700366.db2.gz BWYLMCMUEHEWLJ-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000187679442 205809872 /nfs/dbraw/zinc/80/98/72/205809872.db2.gz BKOBCEKVFBNACS-YNEHKIRRSA-N 1 0 223.360 2.480 20 30 BEEDRO C[C@@H](NCc1cc[nH]n1)c1cccc(C#N)c1 ZINC000041015583 374044122 /nfs/dbraw/zinc/04/41/22/374044122.db2.gz WONUYEVEHMMYMT-SNVBAGLBSA-N 1 0 226.283 2.132 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000192619426 205955907 /nfs/dbraw/zinc/95/59/07/205955907.db2.gz KNMCZSNIVXMDII-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cc(C#N)ccn1 ZINC000041677488 374173505 /nfs/dbraw/zinc/17/35/05/374173505.db2.gz IYTFNWSKTASWOY-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO COC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000193041234 205973365 /nfs/dbraw/zinc/97/33/65/205973365.db2.gz PATLSNXLNZUORZ-UHTWSYAYSA-N 1 0 222.332 2.083 20 30 BEEDRO N#Cc1cccc(Cl)c1NCCCC[NH3+] ZINC000420231951 206024198 /nfs/dbraw/zinc/02/41/98/206024198.db2.gz KVZMYZBOQWMXDP-UHFFFAOYSA-N 1 0 223.707 2.362 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1cccc(C#N)c1C ZINC000433329249 206028615 /nfs/dbraw/zinc/02/86/15/206028615.db2.gz GCIUHPVKIYLTQO-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO C=CC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424131259 206033425 /nfs/dbraw/zinc/03/34/25/206033425.db2.gz IWQJAIGGWVSLQE-UHFFFAOYSA-N 1 0 227.210 2.284 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCC#N)[C@@H](CO)C(C)C ZINC000451594318 206108868 /nfs/dbraw/zinc/10/88/68/206108868.db2.gz DMNFDRFMFRGVGF-QWHCGFSZSA-N 1 0 226.364 2.169 20 30 BEEDRO C=CCCC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592705 206108550 /nfs/dbraw/zinc/10/85/50/206108550.db2.gz AHCJRHSEXNDXKJ-KGLIPLIRSA-N 1 0 223.360 2.339 20 30 BEEDRO CC#CC[N@H+]1CCC[C@]1(CCC)COC ZINC000194926033 206112882 /nfs/dbraw/zinc/11/28/82/206112882.db2.gz ZFRFQGHNALYHPH-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO CCOC[C@@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000459702884 206138425 /nfs/dbraw/zinc/13/84/25/206138425.db2.gz FZBGGOWSLHIFPF-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)C[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459541023 206133269 /nfs/dbraw/zinc/13/32/69/206133269.db2.gz FONUOSLZJPQVLV-UHFFFAOYSA-N 1 0 245.322 2.407 20 30 BEEDRO C=CC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000459544169 206133776 /nfs/dbraw/zinc/13/37/76/206133776.db2.gz QHABJWKSUKROOQ-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO CCCC[C@H](COC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191127091 169004440 /nfs/dbraw/zinc/00/44/40/169004440.db2.gz WOBYLQPYTNMIEH-CYBMUJFWSA-N 1 0 249.358 2.192 20 30 BEEDRO OC[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000156371699 183149943 /nfs/dbraw/zinc/14/99/43/183149943.db2.gz MGAGIUWBRLDFRO-CQSZACIVSA-N 1 0 249.741 2.148 20 30 BEEDRO CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000037098389 169085846 /nfs/dbraw/zinc/08/58/46/169085846.db2.gz IGTVNSAIZDHKCY-LLVKDONJSA-N 1 0 245.326 2.227 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccc(C#N)n1 ZINC000290681548 169125574 /nfs/dbraw/zinc/12/55/74/169125574.db2.gz IVDWXVTVOULYPK-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCCN(c1ccc(C#N)cc1F)[C@@H]1CC[NH2+]C1 ZINC000071332494 169182955 /nfs/dbraw/zinc/18/29/55/169182955.db2.gz ZWAHHAGQCBLQRN-GFCCVEGCSA-N 1 0 247.317 2.276 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnn2ccccc12 ZINC000181043570 134333452 /nfs/dbraw/zinc/33/34/52/134333452.db2.gz LMVSLAIHLXDUEJ-UHFFFAOYSA-N 1 0 215.300 2.342 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccc(OC)n1 ZINC000181315561 134335537 /nfs/dbraw/zinc/33/55/37/134335537.db2.gz GVYZOELASAEZQX-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H](C)CO ZINC000059535828 1172547888 /nfs/dbraw/zinc/54/78/88/1172547888.db2.gz HMASFUWWKAKDKC-KBPBESRZSA-N 1 0 245.407 2.316 20 30 BEEDRO COCC#CC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC001644501552 1172567595 /nfs/dbraw/zinc/56/75/95/1172567595.db2.gz YZRNPYTVAOSTHB-INIZCTEOSA-N 1 0 245.366 2.493 20 30 BEEDRO CC[NH2+]CC1CCN(c2ccc(C#N)cc2)CC1 ZINC000131591537 535461546 /nfs/dbraw/zinc/46/15/46/535461546.db2.gz DYGCNJZGKPUXDX-UHFFFAOYSA-N 1 0 243.354 2.384 20 30 BEEDRO CC[N@H+](CCNc1ccc(C#N)cc1)C1CC1 ZINC000227549904 169846700 /nfs/dbraw/zinc/84/67/00/169846700.db2.gz ONKWCNDRKAMWGK-UHFFFAOYSA-N 1 0 229.327 2.454 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000184278888 134361555 /nfs/dbraw/zinc/36/15/55/134361555.db2.gz LMYUXELYOBLZDZ-CYBMUJFWSA-N 1 0 205.301 2.022 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(C)n1)CC1CC1 ZINC001644963416 1172623900 /nfs/dbraw/zinc/62/39/00/1172623900.db2.gz UJTAKZWJCZXXOG-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000185404342 134379144 /nfs/dbraw/zinc/37/91/44/134379144.db2.gz OUXFFFASDJZEGL-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO CC[C@H](O)CC[NH2+]CC(C)(C)CCC#N ZINC000131686828 383845758 /nfs/dbraw/zinc/84/57/58/383845758.db2.gz FMAXCCIJEQMBGM-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)Cc1ccccn1 ZINC000087595171 383851284 /nfs/dbraw/zinc/85/12/84/383851284.db2.gz ZNLHIKGQPVZSRB-UHFFFAOYSA-N 1 0 217.316 2.453 20 30 BEEDRO C=C[C@@](C)(CC)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647146225 383853911 /nfs/dbraw/zinc/85/39/11/383853911.db2.gz PTOKHCCUSLAQNA-SKDRFNHKSA-N 1 0 221.304 2.348 20 30 BEEDRO C#CC[C@@H]([NH2+]CCc1cn[nH]c1)c1ccccc1 ZINC000298321259 383831334 /nfs/dbraw/zinc/83/13/34/383831334.db2.gz IKRWRFLBVSYFRH-OAHLLOKOSA-N 1 0 239.322 2.306 20 30 BEEDRO C#CC[C@H]([NH2+]CCc1cn[nH]c1)c1ccccc1 ZINC000298321254 383831897 /nfs/dbraw/zinc/83/18/97/383831897.db2.gz IKRWRFLBVSYFRH-HNNXBMFYSA-N 1 0 239.322 2.306 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@H]1CCOC1 ZINC000178339041 383911973 /nfs/dbraw/zinc/91/19/73/383911973.db2.gz CUNMDUYJPZLHHI-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CC[N@@H+](CCc1cn[nH]c1)CCc1ccco1 ZINC000298548818 383913701 /nfs/dbraw/zinc/91/37/01/383913701.db2.gz ULYUJRGLCHUHHC-UHFFFAOYSA-N 1 0 245.326 2.276 20 30 BEEDRO CC[C@@H](O)[C@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000313131339 383923450 /nfs/dbraw/zinc/92/34/50/383923450.db2.gz CBKGMWCPUUDTGH-NWDGAFQWSA-N 1 0 226.364 2.455 20 30 BEEDRO CC[C@@H](O)[C@@H](CC)[NH2+]CC(C)(C)CCC#N ZINC000313131342 383924574 /nfs/dbraw/zinc/92/45/74/383924574.db2.gz CBKGMWCPUUDTGH-VXGBXAGGSA-N 1 0 226.364 2.455 20 30 BEEDRO C=CCCO[C@@H](C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647151470 383929276 /nfs/dbraw/zinc/92/92/76/383929276.db2.gz HARIOAVKUPOINV-VHSXEESVSA-N 1 0 237.303 2.148 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334665223 383932060 /nfs/dbraw/zinc/93/20/60/383932060.db2.gz IWNGXYIMXRONJF-ZDUSSCGKSA-N 1 0 248.301 2.212 20 30 BEEDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000309620439 383886672 /nfs/dbraw/zinc/88/66/72/383886672.db2.gz DCQHYCPUWCIBQC-NWDGAFQWSA-N 1 0 215.300 2.172 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000298446359 383896190 /nfs/dbraw/zinc/89/61/90/383896190.db2.gz SPLMSOHYZFOHEV-ZDUSSCGKSA-N 1 0 238.375 2.163 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000339496204 383992511 /nfs/dbraw/zinc/99/25/11/383992511.db2.gz PDDNEDISKZQRBM-JTQLQIEISA-N 1 0 206.264 2.396 20 30 BEEDRO CC[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)O ZINC000339536564 383992724 /nfs/dbraw/zinc/99/27/24/383992724.db2.gz DSEQIUJJNCZJRS-NSHDSACASA-N 1 0 238.356 2.259 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000116927023 383938339 /nfs/dbraw/zinc/93/83/39/383938339.db2.gz BIBSAOLIOZLOEX-JTQLQIEISA-N 1 0 221.300 2.455 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000037215336 383958604 /nfs/dbraw/zinc/95/86/04/383958604.db2.gz NOXOMBXNGUGPBN-RISCZKNCSA-N 1 0 230.311 2.388 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000229895771 259643657 /nfs/dbraw/zinc/64/36/57/259643657.db2.gz XAKDIIVJBQGQEM-AWEZNQCLSA-N 1 0 239.322 2.374 20 30 BEEDRO CCn1cc[nH+]c1NCc1cc(C#N)cs1 ZINC000414297396 384039357 /nfs/dbraw/zinc/03/93/57/384039357.db2.gz HSTLYZYDGMGUFY-UHFFFAOYSA-N 1 0 232.312 2.448 20 30 BEEDRO CCC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)OC ZINC000449379434 384085400 /nfs/dbraw/zinc/08/54/00/384085400.db2.gz TVCWVBFYAKDLEQ-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000309470260 384088652 /nfs/dbraw/zinc/08/86/52/384088652.db2.gz QNOMXEFJDMPGBQ-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307573669 384058428 /nfs/dbraw/zinc/05/84/28/384058428.db2.gz BYDHAPNRHYBGOH-UHFFFAOYSA-N 1 0 242.363 2.455 20 30 BEEDRO Cc1ccnc(NCC2([NH+](C)C)CCC2)c1C#N ZINC000097932624 384064503 /nfs/dbraw/zinc/06/45/03/384064503.db2.gz XIRSNVQBFCAPDE-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[C@H](CO)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000449377206 384072688 /nfs/dbraw/zinc/07/26/88/384072688.db2.gz RXYOKSASRFIGIA-CQSZACIVSA-N 1 0 232.327 2.069 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]CCCC(C)(C)C#N ZINC000309311406 134391071 /nfs/dbraw/zinc/39/10/71/134391071.db2.gz BYSRCCBJVHQAAJ-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H](O)C[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449164866 384116899 /nfs/dbraw/zinc/11/68/99/384116899.db2.gz RPHVKCBZWRLABD-IWMBGFJWSA-N 1 0 238.375 2.455 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000227829713 134390229 /nfs/dbraw/zinc/39/02/29/134390229.db2.gz JTKFGJWYZNGXMC-RYUDHWBXSA-N 1 0 234.299 2.054 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cc2F)CCOC1 ZINC000344369677 384128964 /nfs/dbraw/zinc/12/89/64/384128964.db2.gz CZQCGBGJYMNLNN-CQSZACIVSA-N 1 0 248.301 2.214 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449517432 384152071 /nfs/dbraw/zinc/15/20/71/384152071.db2.gz FPBQYJLHIPWFFY-XQHKEYJVSA-N 1 0 220.316 2.002 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000449517434 384152164 /nfs/dbraw/zinc/15/21/64/384152164.db2.gz FPKCIOLCSKDYOC-OLZOCXBDSA-N 1 0 221.275 2.259 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000362452395 533044747 /nfs/dbraw/zinc/04/47/47/533044747.db2.gz QBAYFMPEKRQYNN-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCC2 ZINC000362452393 533045131 /nfs/dbraw/zinc/04/51/31/533045131.db2.gz QBAYFMPEKRQYNN-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377789081 533046298 /nfs/dbraw/zinc/04/62/98/533046298.db2.gz VAWODQNQTGOTDB-QWHCGFSZSA-N 1 0 219.328 2.043 20 30 BEEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@@H]1CCOC1 ZINC000362287152 384190003 /nfs/dbraw/zinc/19/00/03/384190003.db2.gz SZJUFFAWRLIADF-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000340381410 384194926 /nfs/dbraw/zinc/19/49/26/384194926.db2.gz XTPFAPOADKVLTR-AWEZNQCLSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCC[C@H]1C ZINC000309161169 384199540 /nfs/dbraw/zinc/19/95/40/384199540.db2.gz ZBFQCKSXYFCRDN-AGIUHOORSA-N 1 0 211.349 2.339 20 30 BEEDRO C[N@H+](Cc1ccc(F)cc1C#N)[C@@H]1CCC[C@H]1O ZINC000336498603 384232392 /nfs/dbraw/zinc/23/23/92/384232392.db2.gz KQIZKNRWZIOPAM-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1cccc(C#N)c1)OC ZINC000289792643 384241109 /nfs/dbraw/zinc/24/11/09/384241109.db2.gz LNPARODBQYZOEN-ZDUSSCGKSA-N 1 0 218.300 2.073 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)O1 ZINC000309416867 384239875 /nfs/dbraw/zinc/23/98/75/384239875.db2.gz JIABTUMONNVBCT-QJPTWQEYSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC[N@@H+](CCc1cnn(C)c1)C1CCCCC1 ZINC000077272095 384209223 /nfs/dbraw/zinc/20/92/23/384209223.db2.gz DDISXDOTKSXVQF-UHFFFAOYSA-N 1 0 245.370 2.231 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@H](C)COC ZINC000299431981 384209323 /nfs/dbraw/zinc/20/93/23/384209323.db2.gz VHMGKVSIWPBPOB-CYBMUJFWSA-N 1 0 217.312 2.157 20 30 BEEDRO CC(C)C[C@H](CNc1cc(C#N)ccn1)[NH+](C)C ZINC000286107560 384240428 /nfs/dbraw/zinc/24/04/28/384240428.db2.gz LMCXIBUZPKYFTR-CYBMUJFWSA-N 1 0 246.358 2.341 20 30 BEEDRO CC(C)(C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000336359862 384218669 /nfs/dbraw/zinc/21/86/69/384218669.db2.gz UAXOENNMNXTAPH-UHFFFAOYSA-N 1 0 228.299 2.094 20 30 BEEDRO C[C@H](CNc1nc(Cl)c(C#N)s1)[NH+](C)C ZINC000235488104 384251632 /nfs/dbraw/zinc/25/16/32/384251632.db2.gz NIXAMACSBOCJBD-ZCFIWIBFSA-N 1 0 244.751 2.030 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000449422670 384318101 /nfs/dbraw/zinc/31/81/01/384318101.db2.gz NCAVSXLLTMSASZ-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cn[nH]c1 ZINC000229883462 384282993 /nfs/dbraw/zinc/28/29/93/384282993.db2.gz FHYNMPFRSMLQID-QMMMGPOBSA-N 1 0 232.312 2.194 20 30 BEEDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000335545698 384300619 /nfs/dbraw/zinc/30/06/19/384300619.db2.gz YDVLHHUAIZIDGG-DOMZBBRYSA-N 1 0 244.338 2.009 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)OC)cc1 ZINC000188112985 384359446 /nfs/dbraw/zinc/35/94/46/384359446.db2.gz RTYINDZBYWKQTQ-OLZOCXBDSA-N 1 0 247.338 2.384 20 30 BEEDRO CC[N@H+](CCCC#N)CCc1nccs1 ZINC000159397173 384329344 /nfs/dbraw/zinc/32/93/44/384329344.db2.gz KYLSIEOBZFQRRB-UHFFFAOYSA-N 1 0 223.345 2.311 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(C#N)s1 ZINC000134466804 384332598 /nfs/dbraw/zinc/33/25/98/384332598.db2.gz FQQRXDXBGLQGFZ-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO Cc1cc(C[N@@H+]2CCCC[C@H]2CO)ccc1C#N ZINC000335763831 384373273 /nfs/dbraw/zinc/37/32/73/384373273.db2.gz FLQVJUGUKYGONP-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000313496087 384426124 /nfs/dbraw/zinc/42/61/24/384426124.db2.gz YYQRKIVRDVBHQD-TUAOUCFPSA-N 1 0 209.333 2.356 20 30 BEEDRO CCOC[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000313475711 384414613 /nfs/dbraw/zinc/41/46/13/384414613.db2.gz FMXMSISYNQNNGX-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCOc1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000178452474 384421802 /nfs/dbraw/zinc/42/18/02/384421802.db2.gz LGAUQEFFUKNGDD-UHFFFAOYSA-N 1 0 248.326 2.317 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000335919909 384423450 /nfs/dbraw/zinc/42/34/50/384423450.db2.gz DCLAIABUWJZJOW-GFCCVEGCSA-N 1 0 248.301 2.354 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000335919811 384423761 /nfs/dbraw/zinc/42/37/61/384423761.db2.gz AESUXNGBBURRIJ-LLVKDONJSA-N 1 0 236.340 2.277 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1nccnc1C ZINC000188232041 384376288 /nfs/dbraw/zinc/37/62/88/384376288.db2.gz XXIGYEFZESPRSZ-NSHDSACASA-N 1 0 217.316 2.239 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000362977895 384386830 /nfs/dbraw/zinc/38/68/30/384386830.db2.gz VNTCXMXEHNHOFS-BXUZGUMPSA-N 1 0 249.358 2.047 20 30 BEEDRO N#Cc1csc(C[NH2+]CCOCC2CC2)c1 ZINC000165161822 384388524 /nfs/dbraw/zinc/38/85/24/384388524.db2.gz VRYGDZOFFGWEDU-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000165166680 384388555 /nfs/dbraw/zinc/38/85/55/384388555.db2.gz BNRWTUMIZBNEKH-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO CN(CCC#N)Cc1ccc(-n2ccnc2)cc1 ZINC000078646265 384454306 /nfs/dbraw/zinc/45/43/06/384454306.db2.gz LXLVXFPWGORRCS-UHFFFAOYSA-N 1 0 240.310 2.218 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000235531668 384433903 /nfs/dbraw/zinc/43/39/03/384433903.db2.gz GWDJNNWEUQQEIP-CORIIIEPSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCCOCCNC(=[NH2+])Nc1ccccc1 ZINC000229858607 384443478 /nfs/dbraw/zinc/44/34/78/384443478.db2.gz HWRGGWCXRWJHRI-UHFFFAOYSA-N 1 0 233.315 2.216 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000229885798 384461344 /nfs/dbraw/zinc/46/13/44/384461344.db2.gz HTTBOXCNTLOQIY-ZDUSSCGKSA-N 1 0 243.354 2.052 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@]2(C)CO)ccc1C#N ZINC000558995535 384465475 /nfs/dbraw/zinc/46/54/75/384465475.db2.gz MAJKXAGWSGTXIF-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)[C@H](C)O ZINC000449543709 384471459 /nfs/dbraw/zinc/47/14/59/384471459.db2.gz ORUWYRXOBPXVSZ-SMDDNHRTSA-N 1 0 232.327 2.116 20 30 BEEDRO CC#CC[N@H+](Cc1ccccn1)C(C)C ZINC000525634172 384479252 /nfs/dbraw/zinc/47/92/52/384479252.db2.gz FGVGWQLPEYIPLF-UHFFFAOYSA-N 1 0 202.301 2.315 20 30 BEEDRO COC[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000112985756 384507389 /nfs/dbraw/zinc/50/73/89/384507389.db2.gz DMTIOXVVKBCVRD-CYBMUJFWSA-N 1 0 244.338 2.417 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000336130688 384509531 /nfs/dbraw/zinc/50/95/31/384509531.db2.gz UYFCDZIBAANHCF-QMTHXVAHSA-N 1 0 248.301 2.212 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)[C@@H](CO)C(C)(C)C ZINC000179083984 384487846 /nfs/dbraw/zinc/48/78/46/384487846.db2.gz KENVVFIFBKDUAZ-AWEZNQCLSA-N 1 0 246.354 2.397 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)CCCO1 ZINC000334416772 384494808 /nfs/dbraw/zinc/49/48/08/384494808.db2.gz OIASOZOBFOXXEC-ZDUSSCGKSA-N 1 0 244.338 2.363 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccncc2F)C1 ZINC000449445653 384534289 /nfs/dbraw/zinc/53/42/89/384534289.db2.gz KEYSSMHRNQIAGI-JQWIXIFHSA-N 1 0 233.290 2.393 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC(=O)NC(C)C ZINC000150900206 384517707 /nfs/dbraw/zinc/51/77/07/384517707.db2.gz QOKKYRQFRSRHBD-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCCCn1cccn1 ZINC000161775675 384524866 /nfs/dbraw/zinc/52/48/66/384524866.db2.gz FGVNCNHBHCCCHU-ZDUSSCGKSA-N 1 0 234.347 2.287 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335867796 384529754 /nfs/dbraw/zinc/52/97/54/384529754.db2.gz LFSFHNCKELQPJR-CYBMUJFWSA-N 1 0 244.338 2.221 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]CCc1cccc(C#N)c1 ZINC000309805524 384532646 /nfs/dbraw/zinc/53/26/46/384532646.db2.gz SBPQTAGVAGSKMC-RISCZKNCSA-N 1 0 214.312 2.346 20 30 BEEDRO COc1cc(C[NH2+][C@H](C)[C@H](C)OC)ccc1C#N ZINC000289972127 384532760 /nfs/dbraw/zinc/53/27/60/384532760.db2.gz YZIOFCRIGOTYTH-MNOVXSKESA-N 1 0 248.326 2.080 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccccc1NC(C)=O ZINC000491751852 384541918 /nfs/dbraw/zinc/54/19/18/384541918.db2.gz XLZZZYRIBJUUSU-NSHDSACASA-N 1 0 230.311 2.099 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1 ZINC000423354648 384547718 /nfs/dbraw/zinc/54/77/18/384547718.db2.gz DDNXRTLKOBXOGG-XUJVJEKNSA-N 1 0 243.354 2.207 20 30 BEEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CN1C1CC1 ZINC000449446920 384554332 /nfs/dbraw/zinc/55/43/32/384554332.db2.gz UOFWOPYYIMBRGI-XUXIUFHCSA-N 1 0 247.386 2.284 20 30 BEEDRO N#CCCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000179120514 384590345 /nfs/dbraw/zinc/59/03/45/384590345.db2.gz JMBMMPSEKQHMJI-AVGNSLFASA-N 1 0 234.343 2.227 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000517925967 384574931 /nfs/dbraw/zinc/57/49/31/384574931.db2.gz RATKIDKBQUDUJE-ZIAGYGMSSA-N 1 0 230.311 2.410 20 30 BEEDRO CC(C)OCCC[N@H+](CCC#N)CC1CC1 ZINC000176258122 384586865 /nfs/dbraw/zinc/58/68/65/384586865.db2.gz CISHSYIBCGOGEP-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234018261 384611210 /nfs/dbraw/zinc/61/12/10/384611210.db2.gz RLJKQVFBRKJSQO-CYBMUJFWSA-N 1 0 248.326 2.081 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000104248892 384668492 /nfs/dbraw/zinc/66/84/92/384668492.db2.gz PVMUJWRNUBYRQI-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000300423795 384686428 /nfs/dbraw/zinc/68/64/28/384686428.db2.gz VNKQWMVNILHFLH-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000491785622 384690474 /nfs/dbraw/zinc/69/04/74/384690474.db2.gz SNFAQSDDMFXRJX-ZDUSSCGKSA-N 1 0 239.322 2.326 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000368051249 384715891 /nfs/dbraw/zinc/71/58/91/384715891.db2.gz LHXUDOQJYHVWJY-LZWOXQAQSA-N 1 0 242.366 2.433 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]2CC)nn1 ZINC000643902264 384778717 /nfs/dbraw/zinc/77/87/17/384778717.db2.gz MKJZFIJCGVEYHA-AAEUAGOBSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccs1 ZINC000186704068 134431798 /nfs/dbraw/zinc/43/17/98/134431798.db2.gz MZPLDNAMAZEOIP-NXEZZACHSA-N 1 0 211.330 2.336 20 30 BEEDRO C[NH2+][C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000150255234 384756335 /nfs/dbraw/zinc/75/63/35/384756335.db2.gz MVTUSGRPFSWTOP-LLVKDONJSA-N 1 0 235.718 2.010 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+]CCCCC#N)CCO1 ZINC000309718209 384758915 /nfs/dbraw/zinc/75/89/15/384758915.db2.gz UXDSYGYZITVXCT-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000491417260 384769076 /nfs/dbraw/zinc/76/90/76/384769076.db2.gz MYENVWPVTIVGLQ-QKGCVVFFSA-N 1 0 235.371 2.437 20 30 BEEDRO C=CC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000273082356 384770990 /nfs/dbraw/zinc/77/09/90/384770990.db2.gz HSTLZLMBNFXDQS-NSHDSACASA-N 1 0 211.692 2.149 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647291066 384837454 /nfs/dbraw/zinc/83/74/54/384837454.db2.gz DCIIAJXZCWUXFT-QWRGUYRKSA-N 1 0 219.332 2.445 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1COCCO1 ZINC000310014524 384792035 /nfs/dbraw/zinc/79/20/35/384792035.db2.gz KIBCVYAECFKIGQ-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000101554763 384795444 /nfs/dbraw/zinc/79/54/44/384795444.db2.gz AHABOPIUZFAOOT-UHFFFAOYSA-N 1 0 241.338 2.256 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647291067 384841140 /nfs/dbraw/zinc/84/11/40/384841140.db2.gz DCIIAJXZCWUXFT-WDEREUQCSA-N 1 0 219.332 2.445 20 30 BEEDRO C=CCCCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000370785336 384861612 /nfs/dbraw/zinc/86/16/12/384861612.db2.gz DVMFUFIGTPDBRO-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000156772084 384952503 /nfs/dbraw/zinc/95/25/03/384952503.db2.gz FRNQOAVERWHGFC-ZIAGYGMSSA-N 1 0 231.343 2.179 20 30 BEEDRO C=CCCCCC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000193327974 384952553 /nfs/dbraw/zinc/95/25/53/384952553.db2.gz AILQGVNGCWAOFW-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CCC(F)(F)CC1 ZINC000647201364 384899596 /nfs/dbraw/zinc/89/95/96/384899596.db2.gz KJWQVZDXJWVZJK-JTQLQIEISA-N 1 0 219.275 2.091 20 30 BEEDRO CC(C)[N@H+](C)CC1CCN(C(C)(C)C#N)CC1 ZINC000559451374 384925970 /nfs/dbraw/zinc/92/59/70/384925970.db2.gz SVFVDBJNCCMWAU-UHFFFAOYSA-N 1 0 237.391 2.341 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000119664365 384928440 /nfs/dbraw/zinc/92/84/40/384928440.db2.gz YRZQNTCRQADPQE-OAHLLOKOSA-N 1 0 223.341 2.090 20 30 BEEDRO C[C@H](C[C@H](C)[NH3+])Nc1nccc(C#N)c1Cl ZINC000320931231 384969066 /nfs/dbraw/zinc/96/90/66/384969066.db2.gz SJTAJEFCKVDBJI-JGVFFNPUSA-N 1 0 238.722 2.144 20 30 BEEDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCOCCC#N ZINC000339063497 384970871 /nfs/dbraw/zinc/97/08/71/384970871.db2.gz YHHPWWPXILXBCU-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCCC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000371716493 384983529 /nfs/dbraw/zinc/98/35/29/384983529.db2.gz OSNMILQBJCECMA-QWHCGFSZSA-N 1 0 209.333 2.500 20 30 BEEDRO COc1cncc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000557499228 384984060 /nfs/dbraw/zinc/98/40/60/384984060.db2.gz CVBTWQPCMKYNNQ-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cc(C)ns1 ZINC000404434149 384995149 /nfs/dbraw/zinc/99/51/49/384995149.db2.gz DFZLMQCGBSWVSV-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cc(C)ns1 ZINC000404460469 385009770 /nfs/dbraw/zinc/00/97/70/385009770.db2.gz ZWFPCLJCWGHVDB-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CCCC[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000530699473 385019533 /nfs/dbraw/zinc/01/95/33/385019533.db2.gz YMTNZMQGQIJBIC-UHFFFAOYSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CSC[C@@H]1C ZINC000336642968 385049362 /nfs/dbraw/zinc/04/93/62/385049362.db2.gz DLCRFJQSSTWJNC-VHSXEESVSA-N 1 0 217.403 2.247 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000306516429 385052739 /nfs/dbraw/zinc/05/27/39/385052739.db2.gz XZXKAZYAHUBDBO-GXSJLCMTSA-N 1 0 210.346 2.164 20 30 BEEDRO C=C(C[NH2+]C[C@H](O)COC(C)C)c1ccccc1 ZINC000644647214 385053716 /nfs/dbraw/zinc/05/37/16/385053716.db2.gz HMJMFOYEOZSZGL-HNNXBMFYSA-N 1 0 249.354 2.075 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(=O)Nc1ccccc1)C(C)C ZINC000491513946 385071578 /nfs/dbraw/zinc/07/15/78/385071578.db2.gz FJNUEAAMXYJHIQ-CQSZACIVSA-N 1 0 244.338 2.263 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000340496409 385076585 /nfs/dbraw/zinc/07/65/85/385076585.db2.gz NRSYYFJGIGLMRZ-WCFLWFBJSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@H]([NH2+]CC#CCOC)[C@H]1CC1(C)C ZINC000642717509 385031489 /nfs/dbraw/zinc/03/14/89/385031489.db2.gz FHCIGMIQNFFULT-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449715430 385038115 /nfs/dbraw/zinc/03/81/15/385038115.db2.gz AWIJTTRHEFYEIM-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)CCOC(C)C ZINC000644638844 385043212 /nfs/dbraw/zinc/04/32/12/385043212.db2.gz CKPZGFOAKJEKQP-QWHCGFSZSA-N 1 0 229.364 2.107 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CCSC2)ccc1C#N ZINC000234956591 385046082 /nfs/dbraw/zinc/04/60/82/385046082.db2.gz AJHYHKRBOFIPAO-LBPRGKRZSA-N 1 0 248.351 2.162 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000313010673 385129996 /nfs/dbraw/zinc/12/99/96/385129996.db2.gz LFPSMKUBGHVERE-CQSZACIVSA-N 1 0 229.323 2.053 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000559638219 385089056 /nfs/dbraw/zinc/08/90/56/385089056.db2.gz CVTMEBMQRBRYJP-HUUCEWRRSA-N 1 0 246.354 2.198 20 30 BEEDRO C#CCNC(=O)CC[NH+](CCCC)CCCC ZINC000491203435 385107428 /nfs/dbraw/zinc/10/74/28/385107428.db2.gz WAYPMBNTYQAINI-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CC(C)(C)C[NH2+]CCC(C)(C)C(=O)OC ZINC000449483378 385184950 /nfs/dbraw/zinc/18/49/50/385184950.db2.gz AACZDNMBVDSNMD-UHFFFAOYSA-N 1 0 227.348 2.378 20 30 BEEDRO CCN(CC[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000176960431 385185012 /nfs/dbraw/zinc/18/50/12/385185012.db2.gz MMYBCFPIIHUNNA-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CO)C1CC1 ZINC000308824953 385192386 /nfs/dbraw/zinc/19/23/86/385192386.db2.gz DHWRXDOHIQZNJX-GMXVVIOVSA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000189288274 385149199 /nfs/dbraw/zinc/14/91/99/385149199.db2.gz JVQITQJKMUXURL-KYOSRNDESA-N 1 0 244.338 2.370 20 30 BEEDRO C=CC[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000304749005 385150173 /nfs/dbraw/zinc/15/01/73/385150173.db2.gz WLZBRORVKIWFKE-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000189618714 385229337 /nfs/dbraw/zinc/22/93/37/385229337.db2.gz JMKCVQRQBYFZOY-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCOC1 ZINC000178339743 385230223 /nfs/dbraw/zinc/23/02/23/385230223.db2.gz XGNZROWATPPNJX-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCN1C)C1CC1 ZINC000227828205 385246437 /nfs/dbraw/zinc/24/64/37/385246437.db2.gz AXXHAFUMJJVJNV-ZIAGYGMSSA-N 1 0 222.376 2.415 20 30 BEEDRO C=C(C)COCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000163522608 385248789 /nfs/dbraw/zinc/24/87/89/385248789.db2.gz DWVZGSOPNWOLMF-HUUCEWRRSA-N 1 0 246.354 2.314 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000177901793 385253466 /nfs/dbraw/zinc/25/34/66/385253466.db2.gz VURLNLJWYYCIAF-LBPRGKRZSA-N 1 0 244.338 2.463 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000308946063 385307624 /nfs/dbraw/zinc/30/76/24/385307624.db2.gz NSDKYQDHHMYEBW-WOPDTQHZSA-N 1 0 210.321 2.083 20 30 BEEDRO COc1cc(C)cc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000130646719 385272734 /nfs/dbraw/zinc/27/27/34/385272734.db2.gz ZGSMMRHSQIUHGE-UHFFFAOYSA-N 1 0 249.358 2.206 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000300224898 385276518 /nfs/dbraw/zinc/27/65/18/385276518.db2.gz PNRJXTJHHMMDEX-MELADBBJSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1CSC ZINC000247028006 385281371 /nfs/dbraw/zinc/28/13/71/385281371.db2.gz QPGKVSHPHCASMX-RYUDHWBXSA-N 1 0 229.389 2.141 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1 ZINC000336371000 385281310 /nfs/dbraw/zinc/28/13/10/385281310.db2.gz YGZKBTWWILSMIN-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000448278470 385289291 /nfs/dbraw/zinc/28/92/91/385289291.db2.gz MFKJYHAIAINDOO-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000168266727 385329332 /nfs/dbraw/zinc/32/93/32/385329332.db2.gz QHYJREHODNICRM-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C ZINC000247642021 385360456 /nfs/dbraw/zinc/36/04/56/385360456.db2.gz TVEOBCCGPVQGRH-QWHCGFSZSA-N 1 0 236.359 2.060 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC12CCOCC2 ZINC000309015405 385371570 /nfs/dbraw/zinc/37/15/70/385371570.db2.gz UGXSKBQGZSWGFX-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](CO)C1CC1 ZINC000309054992 385387141 /nfs/dbraw/zinc/38/71/41/385387141.db2.gz TYDKAOVHOZRMSC-CHWSQXEVSA-N 1 0 211.349 2.339 20 30 BEEDRO CCN(Cc1ccccn1)C[C@@H](C#N)CCC#N ZINC000131322833 385327644 /nfs/dbraw/zinc/32/76/44/385327644.db2.gz HQJVZSBSGUKWHA-CYBMUJFWSA-N 1 0 242.326 2.347 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)CCCOC ZINC000180457794 385391470 /nfs/dbraw/zinc/39/14/70/385391470.db2.gz WOCMKLVVPPUSDR-LLVKDONJSA-N 1 0 217.378 2.310 20 30 BEEDRO C=CCCC[NH2+]Cc1ncc(COC)s1 ZINC000309072007 385403549 /nfs/dbraw/zinc/40/35/49/385403549.db2.gz FFSNLUQLEVKWCW-UHFFFAOYSA-N 1 0 226.345 2.345 20 30 BEEDRO Cc1cc(NCC2(CC#N)CC2)cc[nH+]1 ZINC000309099541 385408964 /nfs/dbraw/zinc/40/89/64/385408964.db2.gz GDPBTVJLBFTHDW-UHFFFAOYSA-N 1 0 201.273 2.496 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309089939 385411877 /nfs/dbraw/zinc/41/18/77/385411877.db2.gz ASYGOHWVBOBNLY-RHYQMDGZSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@@]1(C)CCCO1 ZINC000309117021 385423029 /nfs/dbraw/zinc/42/30/29/385423029.db2.gz LXVPJTPQKFKOPC-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)nc(C#N)c1 ZINC000308266220 385445632 /nfs/dbraw/zinc/44/56/32/385445632.db2.gz GJNMRISXFXVKHU-AWEZNQCLSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)C1CCOCC1 ZINC000309180749 385453211 /nfs/dbraw/zinc/45/32/11/385453211.db2.gz NSPMBUDKDNBXRA-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)COc1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170909432 385454345 /nfs/dbraw/zinc/45/43/45/385454345.db2.gz JMWCBTVZFDWPKJ-UHFFFAOYSA-N 1 0 249.358 2.098 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911137 385454733 /nfs/dbraw/zinc/45/47/33/385454733.db2.gz VKAZAQCOSNWPOO-VXGBXAGGSA-N 1 0 249.333 2.384 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1c1cccc(F)c1)N(C)C ZINC000170911244 385454959 /nfs/dbraw/zinc/45/49/59/385454959.db2.gz ARWXMWWXPYNBAF-QWHCGFSZSA-N 1 0 249.333 2.161 20 30 BEEDRO COCCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000170913783 385456195 /nfs/dbraw/zinc/45/61/95/385456195.db2.gz GVYBLHSJQLLTSU-UHFFFAOYSA-N 1 0 249.358 2.457 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000341253996 385471712 /nfs/dbraw/zinc/47/17/12/385471712.db2.gz DLWCAGNEUUJQLW-GXFFZTMASA-N 1 0 234.299 2.056 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C1CCN(CC)CC1 ZINC000309212706 385481102 /nfs/dbraw/zinc/48/11/02/385481102.db2.gz TUUYAGWZVAESMJ-GFCCVEGCSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnccn1 ZINC000309216831 385485913 /nfs/dbraw/zinc/48/59/13/385485913.db2.gz UNKYXJLAKXFSHO-WDEREUQCSA-N 1 0 205.305 2.482 20 30 BEEDRO CC(C)[N@H+](C)CCCNCc1cccc(C#N)c1 ZINC000221780976 385506028 /nfs/dbraw/zinc/50/60/28/385506028.db2.gz LMVHDLZZUWUKRS-UHFFFAOYSA-N 1 0 245.370 2.378 20 30 BEEDRO CCCC[C@H](C[NH3+])NCc1cccc(C#N)c1 ZINC000564335550 385528772 /nfs/dbraw/zinc/52/87/72/385528772.db2.gz OLCSUWGSBVVZAB-CQSZACIVSA-N 1 0 231.343 2.165 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C#N)o1 ZINC000158052813 385545080 /nfs/dbraw/zinc/54/50/80/385545080.db2.gz QRQAAUXXNDMSIU-SECBINFHSA-N 1 0 204.273 2.382 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000591021356 385552147 /nfs/dbraw/zinc/55/21/47/385552147.db2.gz AUMVXNOISXFZQS-BDAKNGLRSA-N 1 0 202.248 2.266 20 30 BEEDRO C=CCN1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000309407619 385576795 /nfs/dbraw/zinc/57/67/95/385576795.db2.gz IDOJPUKUBURMMS-UHFFFAOYSA-N 1 0 222.376 2.415 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCCCn1cc(C)cn1 ZINC000491698539 385562185 /nfs/dbraw/zinc/56/21/85/385562185.db2.gz HTYGPVSIDHFEII-CQSZACIVSA-N 1 0 233.359 2.315 20 30 BEEDRO CCOC[C@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000309409867 385572210 /nfs/dbraw/zinc/57/22/10/385572210.db2.gz BOKDEYGBRSJKRQ-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000309569130 134458480 /nfs/dbraw/zinc/45/84/80/134458480.db2.gz MGCKTIFUQVDQOZ-WDEREUQCSA-N 1 0 235.356 2.358 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000309465384 385594813 /nfs/dbraw/zinc/59/48/13/385594813.db2.gz PETHJFZISCEOAO-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(C#N)c1 ZINC000453398549 385600656 /nfs/dbraw/zinc/60/06/56/385600656.db2.gz AFDQOPJQKBEQCC-LERXQTSPSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(C)s1 ZINC000336650487 385603238 /nfs/dbraw/zinc/60/32/38/385603238.db2.gz IRNIHEIXRTYVPF-NXEZZACHSA-N 1 0 211.330 2.254 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1ccccn1 ZINC000309420000 385578755 /nfs/dbraw/zinc/57/87/55/385578755.db2.gz JSYLTTFHFQZSNR-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO CC(C)[C@]1(CO)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411768753 385606115 /nfs/dbraw/zinc/60/61/15/385606115.db2.gz GGPCJIHLIWISCY-UONOGXRCSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCOc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000414848973 385617223 /nfs/dbraw/zinc/61/72/23/385617223.db2.gz QKUBHADNTXPBIO-AWEZNQCLSA-N 1 0 246.354 2.093 20 30 BEEDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000595056144 385618915 /nfs/dbraw/zinc/61/89/15/385618915.db2.gz BKBQOAZYOHMYRH-AGIUHOORSA-N 1 0 235.375 2.141 20 30 BEEDRO C#CC[N@@H+](CCOCC=C)Cc1ccccc1 ZINC000293531553 533134207 /nfs/dbraw/zinc/13/42/07/533134207.db2.gz JKSIOSMQNFPJMF-UHFFFAOYSA-N 1 0 229.323 2.324 20 30 BEEDRO C[C@@H](CC1CC1)[NH2+]Cc1nc(C#N)cs1 ZINC000308883461 385628856 /nfs/dbraw/zinc/62/88/56/385628856.db2.gz VAJHNKNLCHYVCO-QMMMGPOBSA-N 1 0 221.329 2.293 20 30 BEEDRO CC(C)(CF)[NH2+]Cc1cccc(C#N)c1 ZINC000308928198 385646845 /nfs/dbraw/zinc/64/68/45/385646845.db2.gz DQCFJWZLDCLJSU-UHFFFAOYSA-N 1 0 206.264 2.396 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000336683309 385649237 /nfs/dbraw/zinc/64/92/37/385649237.db2.gz QCHURRCLHSOZLY-ZIAGYGMSSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000340087745 385658956 /nfs/dbraw/zinc/65/89/56/385658956.db2.gz DZHPGQFHKYWSME-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000309540426 385673580 /nfs/dbraw/zinc/67/35/80/385673580.db2.gz FSZCPVHORIXFOK-DMDPSCGWSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000309541659 385677220 /nfs/dbraw/zinc/67/72/20/385677220.db2.gz GAVANVVTKZWVBR-GXSJLCMTSA-N 1 0 240.372 2.429 20 30 BEEDRO CO[C@@H]1C[C@@H]([N@H+](C)CCCC#N)C12CCC2 ZINC000451827274 385680810 /nfs/dbraw/zinc/68/08/10/385680810.db2.gz GPFCXRIZDWKMSC-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@]1(C)CCCO1 ZINC000309548320 385681647 /nfs/dbraw/zinc/68/16/47/385681647.db2.gz HJRNLTDXPIHBGG-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccncc1Cl ZINC000321282635 385683496 /nfs/dbraw/zinc/68/34/96/385683496.db2.gz GGYKQQDCMHAEGH-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451830344 385693118 /nfs/dbraw/zinc/69/31/18/385693118.db2.gz CKASSBLBLZKYPT-STQMWFEESA-N 1 0 239.359 2.078 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1csc(C2CC2)n1 ZINC000309574649 385707518 /nfs/dbraw/zinc/70/75/18/385707518.db2.gz OHFVYSWELUKLIE-SNVBAGLBSA-N 1 0 238.356 2.047 20 30 BEEDRO CCSCC[NH2+]Cc1ccc(C#N)s1 ZINC000336689054 385715578 /nfs/dbraw/zinc/71/55/78/385715578.db2.gz OGEFHOQMQKCEKR-UHFFFAOYSA-N 1 0 226.370 2.462 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000308965072 385671126 /nfs/dbraw/zinc/67/11/26/385671126.db2.gz UVSZYGBNNKLKTR-RKDXNWHRSA-N 1 0 224.329 2.133 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000186714778 385785885 /nfs/dbraw/zinc/78/58/85/385785885.db2.gz VBZITHKMBYGNLN-WDEREUQCSA-N 1 0 209.289 2.176 20 30 BEEDRO CC(C)OCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185790399 385740545 /nfs/dbraw/zinc/74/05/45/385740545.db2.gz WQIKKDGUZLMJNB-QWHCGFSZSA-N 1 0 224.348 2.473 20 30 BEEDRO C[NH+](C)C[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000264961108 385757402 /nfs/dbraw/zinc/75/74/02/385757402.db2.gz NLIVUWAEBJBSGF-NSHDSACASA-N 1 0 247.317 2.085 20 30 BEEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000159187769 385757992 /nfs/dbraw/zinc/75/79/92/385757992.db2.gz VBQXDXHILOPRBL-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000336655844 385768014 /nfs/dbraw/zinc/76/80/14/385768014.db2.gz ABUJBQGUAFEGEU-IJLUTSLNSA-N 1 0 209.333 2.356 20 30 BEEDRO N#CC1CCC(C[NH2+]C2CCOCC2)CC1 ZINC000309660836 385779043 /nfs/dbraw/zinc/77/90/43/385779043.db2.gz XUZWNOGWUWIGGE-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000186714118 385784520 /nfs/dbraw/zinc/78/45/20/385784520.db2.gz FHYOOWWXFYOZOI-MNOVXSKESA-N 1 0 223.316 2.430 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309592486 385723225 /nfs/dbraw/zinc/72/32/25/385723225.db2.gz SSCSQNXUHCDNGI-IACUBPJLSA-N 1 0 223.360 2.339 20 30 BEEDRO C[NH+](C)C1(CNc2cccc(F)c2C#N)CC1 ZINC000397904579 385726590 /nfs/dbraw/zinc/72/65/90/385726590.db2.gz VGROGGXDZHWPBH-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)C1CCSCC1 ZINC000309589574 134468435 /nfs/dbraw/zinc/46/84/35/134468435.db2.gz UJIQTXYQVCOQQN-NWDGAFQWSA-N 1 0 243.416 2.292 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000116926498 385803752 /nfs/dbraw/zinc/80/37/52/385803752.db2.gz FDWYNASROILPAO-VIFPVBQESA-N 1 0 207.321 2.091 20 30 BEEDRO CCN(C)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000054109865 385811790 /nfs/dbraw/zinc/81/17/90/385811790.db2.gz PBXWIIUBDMTZAK-LBPRGKRZSA-N 1 0 231.343 2.161 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000602687085 385813368 /nfs/dbraw/zinc/81/33/68/385813368.db2.gz VMOALUSMZDNZMX-UPJWGTAASA-N 1 0 236.359 2.283 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CO1 ZINC000572363275 385813350 /nfs/dbraw/zinc/81/33/50/385813350.db2.gz RUIGTKASTMAPKG-RIEGTJTDSA-N 1 0 242.322 2.313 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000602687086 385814510 /nfs/dbraw/zinc/81/45/10/385814510.db2.gz VMOALUSMZDNZMX-XQQFMLRXSA-N 1 0 236.359 2.283 20 30 BEEDRO CCCCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853555 385827547 /nfs/dbraw/zinc/82/75/47/385827547.db2.gz JYAAICBASIINBC-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO Cc1cccnc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309698005 385797749 /nfs/dbraw/zinc/79/77/49/385797749.db2.gz LSROUYUQXKCBRM-NEPJUHHUSA-N 1 0 215.300 2.172 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000390786623 385900422 /nfs/dbraw/zinc/90/04/22/385900422.db2.gz QITNUVZLMNGRDF-CHWSQXEVSA-N 1 0 235.714 2.393 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cn1cccn1 ZINC000336721615 385906208 /nfs/dbraw/zinc/90/62/08/385906208.db2.gz DVBUZWPRKRHMEC-RYUDHWBXSA-N 1 0 207.321 2.216 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cn1cccn1 ZINC000336721613 385906997 /nfs/dbraw/zinc/90/69/97/385906997.db2.gz DVBUZWPRKRHMEC-NWDGAFQWSA-N 1 0 207.321 2.216 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cn1cccn1 ZINC000336721618 385907243 /nfs/dbraw/zinc/90/72/43/385907243.db2.gz DVBUZWPRKRHMEC-VXGBXAGGSA-N 1 0 207.321 2.216 20 30 BEEDRO Cc1cc(C)c(C#N)c(NC[C@H](C)C[NH+](C)C)n1 ZINC000291669865 385909531 /nfs/dbraw/zinc/90/95/31/385909531.db2.gz DKASTXLTGYUXNU-JTQLQIEISA-N 1 0 246.358 2.180 20 30 BEEDRO CCC1([NH2+]Cc2nc(C#N)cs2)CCC1 ZINC000309165579 385919945 /nfs/dbraw/zinc/91/99/45/385919945.db2.gz IVAORJCXOYTXQT-UHFFFAOYSA-N 1 0 221.329 2.437 20 30 BEEDRO CO[C@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000182433764 385862385 /nfs/dbraw/zinc/86/23/85/385862385.db2.gz REJLPFADWSMUKL-GHMZBOCLSA-N 1 0 218.300 2.244 20 30 BEEDRO Cc1cccc(NCC2(CC#N)CC2)[nH+]1 ZINC000336741676 385867192 /nfs/dbraw/zinc/86/71/92/385867192.db2.gz WABRIVWZRCTVBY-UHFFFAOYSA-N 1 0 201.273 2.496 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccn(C)n1 ZINC000414139340 385986600 /nfs/dbraw/zinc/98/66/00/385986600.db2.gz JGAVBYPFPWCLQX-PNESKVBLSA-N 1 0 246.358 2.401 20 30 BEEDRO C=CCCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000414611286 385945849 /nfs/dbraw/zinc/94/58/49/385945849.db2.gz CCAVDVUCMKACFN-SECBINFHSA-N 1 0 209.293 2.234 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1 ZINC000376094753 533154855 /nfs/dbraw/zinc/15/48/55/533154855.db2.gz LUUBAAVHIUUIHJ-AWEZNQCLSA-N 1 0 247.313 2.440 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414091458 385956603 /nfs/dbraw/zinc/95/66/03/385956603.db2.gz DDHKIDMYZBDPKQ-LBPRGKRZSA-N 1 0 249.358 2.073 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000393884982 385964584 /nfs/dbraw/zinc/96/45/84/385964584.db2.gz RABOIBJRJRRVGF-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCn1cccc1-c1nc(C2([NH3+])CCC2)no1 ZINC000414629186 386004272 /nfs/dbraw/zinc/00/42/72/386004272.db2.gz PZESRKNOQHNUKO-UHFFFAOYSA-N 1 0 244.298 2.062 20 30 BEEDRO C=CCC(C)(C)c1nc(C2([NH3+])CCC2)no1 ZINC000414630021 386005549 /nfs/dbraw/zinc/00/55/49/386005549.db2.gz SKCNIBKIVOCNPR-UHFFFAOYSA-N 1 0 221.304 2.261 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414171206 386017008 /nfs/dbraw/zinc/01/70/08/386017008.db2.gz XBLUVXQVKLFCGW-IJLUTSLNSA-N 1 0 241.375 2.105 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccnn1C ZINC000414172145 386018292 /nfs/dbraw/zinc/01/82/92/386018292.db2.gz VOXPJLJJTUZXJL-SNVBAGLBSA-N 1 0 220.320 2.011 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCc1ccnn1CC ZINC000338539379 386034818 /nfs/dbraw/zinc/03/48/18/386034818.db2.gz GRODTVRHWCNLPJ-ZDUSSCGKSA-N 1 0 233.359 2.486 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000336771382 386040739 /nfs/dbraw/zinc/04/07/39/386040739.db2.gz XHLFRYULQJFFBI-NHYWBVRUSA-N 1 0 229.389 2.232 20 30 BEEDRO COCCC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160735 386044785 /nfs/dbraw/zinc/04/47/85/386044785.db2.gz DNGIGSJDGJOYRO-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414166623 386050950 /nfs/dbraw/zinc/05/09/50/386050950.db2.gz NZVJEMWIOUKJSW-FRRDWIJNSA-N 1 0 248.370 2.473 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000190952729 386106592 /nfs/dbraw/zinc/10/65/92/386106592.db2.gz KUPCIWNKHHSIKJ-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO COc1cc(C[NH2+]C[C@H]2C[C@H]2C)ccc1C#N ZINC000234924433 386116559 /nfs/dbraw/zinc/11/65/59/386116559.db2.gz BGGRLVIOSVUAQA-ZWNOBZJWSA-N 1 0 230.311 2.312 20 30 BEEDRO C=CC[C@H](CC)NC(=O)C12CCC[NH+]1CCC2 ZINC000415618658 386117737 /nfs/dbraw/zinc/11/77/37/386117737.db2.gz GMIAPNQCVRQOPH-LBPRGKRZSA-N 1 0 236.359 2.086 20 30 BEEDRO CCn1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000414210438 386064381 /nfs/dbraw/zinc/06/43/81/386064381.db2.gz OKKSJOYUTYXNBO-VXGBXAGGSA-N 1 0 232.331 2.075 20 30 BEEDRO COc1cc(C[NH+]2CCCC2)ccc1C#N ZINC000234965158 386122353 /nfs/dbraw/zinc/12/23/53/386122353.db2.gz RQTVZNADTGUYDD-UHFFFAOYSA-N 1 0 216.284 2.163 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414271380 386086372 /nfs/dbraw/zinc/08/63/72/386086372.db2.gz WVKHPVBUSPOCSI-LLVKDONJSA-N 1 0 247.404 2.144 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@H](C)CO1 ZINC000334589200 386093251 /nfs/dbraw/zinc/09/32/51/386093251.db2.gz KNEPRBPRPZBLLX-CHWSQXEVSA-N 1 0 244.338 2.362 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000320282723 386095826 /nfs/dbraw/zinc/09/58/26/386095826.db2.gz OUSNYCOGALDESL-STQMWFEESA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C)nn1 ZINC000414365401 386148008 /nfs/dbraw/zinc/14/80/08/386148008.db2.gz LKYMXYVFXXHDDM-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C=CCOc1ccccc1CNC[C@@H]([NH3+])C1CC1 ZINC000414892583 386152639 /nfs/dbraw/zinc/15/26/39/386152639.db2.gz JIQZWQJMOOQDJB-CQSZACIVSA-N 1 0 246.354 2.078 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1csc(C)n1 ZINC000320300701 386190018 /nfs/dbraw/zinc/19/00/18/386190018.db2.gz BKQWHIOVCAXXOA-KOLCDFICSA-N 1 0 240.372 2.429 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2nccs2)c1 ZINC000086500253 386159274 /nfs/dbraw/zinc/15/92/74/386159274.db2.gz OALHHJUWCYRICH-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO C=CC[C@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415915131 386161381 /nfs/dbraw/zinc/16/13/81/386161381.db2.gz YHMLXPFZUBGDDT-NSHDSACASA-N 1 0 247.342 2.492 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1 ZINC000320294257 386162825 /nfs/dbraw/zinc/16/28/25/386162825.db2.gz RIFXICCMOMDIIP-LLVKDONJSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415986828 386174401 /nfs/dbraw/zinc/17/44/01/386174401.db2.gz VUYZTZLYTMCTIN-JTQLQIEISA-N 1 0 233.315 2.102 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC000267173259 386179663 /nfs/dbraw/zinc/17/96/63/386179663.db2.gz IOJJZWDYPYXHDG-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000267154058 386138400 /nfs/dbraw/zinc/13/84/00/386138400.db2.gz CZQIKXQWCZKVIH-GFCCVEGCSA-N 1 0 238.356 2.380 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc(O)c1 ZINC000131396922 386203665 /nfs/dbraw/zinc/20/36/65/386203665.db2.gz BCFDPWFDKXNEKC-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C=CCOCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000339008578 386206583 /nfs/dbraw/zinc/20/65/83/386206583.db2.gz KDECNFYIQUWBGY-UHFFFAOYSA-N 1 0 237.265 2.463 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000347070910 386215598 /nfs/dbraw/zinc/21/55/98/386215598.db2.gz OEIVILIXPXOZSY-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000320308065 386292041 /nfs/dbraw/zinc/29/20/41/386292041.db2.gz UTHJWWMUYUGSLX-FRRDWIJNSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000320308067 386293111 /nfs/dbraw/zinc/29/31/11/386293111.db2.gz UTHJWWMUYUGSLX-JHJVBQTASA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc(CC)nc1 ZINC000414399677 386297481 /nfs/dbraw/zinc/29/74/81/386297481.db2.gz VOMIITOFTIXENA-UHFFFAOYSA-N 1 0 219.332 2.437 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cncs1 ZINC000320322159 386318446 /nfs/dbraw/zinc/31/84/46/386318446.db2.gz WSLMRYNTTYTAAV-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000320323332 386323485 /nfs/dbraw/zinc/32/34/85/386323485.db2.gz FARCOELBWWWNDA-JTQLQIEISA-N 1 0 236.340 2.036 20 30 BEEDRO CC[N@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000034674452 386265172 /nfs/dbraw/zinc/26/51/72/386265172.db2.gz SQWLJHVSIJRHCP-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347169587 386265854 /nfs/dbraw/zinc/26/58/54/386265854.db2.gz OSDIAHJUPKTITM-TZMCWYRMSA-N 1 0 238.375 2.409 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000280299614 386341667 /nfs/dbraw/zinc/34/16/67/386341667.db2.gz ZUCQRDACHPDTRX-MRVPVSSYSA-N 1 0 239.116 2.128 20 30 BEEDRO C=C(CC)C[NH2+]C1CC(n2cccn2)C1 ZINC000639238518 386350530 /nfs/dbraw/zinc/35/05/30/386350530.db2.gz ADSNNJJAFDEMIV-UHFFFAOYSA-N 1 0 205.305 2.142 20 30 BEEDRO C=CCC1(C(=O)NCC[N@H+]2CC=CCC2)CCC1 ZINC000280249161 386351540 /nfs/dbraw/zinc/35/15/40/386351540.db2.gz NNXTVBVZUOTPFN-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCSCC[NH2+]Cc1cccc(OC)n1 ZINC000190958193 386351878 /nfs/dbraw/zinc/35/18/78/386351878.db2.gz WCQYWNBTRNNAGG-UHFFFAOYSA-N 1 0 238.356 2.099 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(C)nn1 ZINC000335269662 386353241 /nfs/dbraw/zinc/35/32/41/386353241.db2.gz MCLUJJVRHLAMFO-ZDUSSCGKSA-N 1 0 217.316 2.326 20 30 BEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCC(C)(C)C#N ZINC000347316577 386356864 /nfs/dbraw/zinc/35/68/64/386356864.db2.gz QNYXWFFNFFKBOQ-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO COC[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000086696648 386357437 /nfs/dbraw/zinc/35/74/37/386357437.db2.gz ZDADXKPXYVKTTH-CQSZACIVSA-N 1 0 232.327 2.319 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000319954753 386363198 /nfs/dbraw/zinc/36/31/98/386363198.db2.gz AFSNSVFQVVNTEZ-LLVKDONJSA-N 1 0 227.348 2.472 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000280576609 386364476 /nfs/dbraw/zinc/36/44/76/386364476.db2.gz HDIOLMWUIPHFQV-KBPBESRZSA-N 1 0 232.327 2.152 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnccc1C ZINC000280576599 386365196 /nfs/dbraw/zinc/36/51/96/386365196.db2.gz HDFNUDZXOPEKMA-DZGCQCFKSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccn1C ZINC000280768906 386373158 /nfs/dbraw/zinc/37/31/58/386373158.db2.gz ZLDYSVCEJGIVBU-OCCSQVGLSA-N 1 0 234.343 2.096 20 30 BEEDRO CCOC[C@@H]([NH2+]CCCSCC#N)C(C)C ZINC000336775016 386379225 /nfs/dbraw/zinc/37/92/25/386379225.db2.gz XVQQRCAXGVPZHM-GFCCVEGCSA-N 1 0 244.404 2.284 20 30 BEEDRO COc1cc(C[NH2+][C@H](C)[C@@H](C)OC)ccc1C#N ZINC000289972123 386379949 /nfs/dbraw/zinc/37/99/49/386379949.db2.gz YZIOFCRIGOTYTH-GHMZBOCLSA-N 1 0 248.326 2.080 20 30 BEEDRO CC[N@H+](CC[C@H]1CCCCO1)C[C@H](C)C#N ZINC000347394969 386382194 /nfs/dbraw/zinc/38/21/94/386382194.db2.gz BRGMRJCLYOBYDU-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@H+](CC[C@@H]1CCCCO1)C[C@H](C)C#N ZINC000347394970 386382364 /nfs/dbraw/zinc/38/23/64/386382364.db2.gz BRGMRJCLYOBYDU-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1CCCCC1 ZINC000320330718 386334457 /nfs/dbraw/zinc/33/44/57/386334457.db2.gz YNAOPRIMPFLEIA-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCOc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000414768568 386443627 /nfs/dbraw/zinc/44/36/27/386443627.db2.gz KUMIVOYPLSNNTJ-IUODEOHRSA-N 1 0 246.354 2.173 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C[C@H]1CC=CCC1 ZINC000320421935 386408800 /nfs/dbraw/zinc/40/88/00/386408800.db2.gz FZXHZEMNXYNBJV-STQMWFEESA-N 1 0 209.333 2.259 20 30 BEEDRO N#CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347473958 386433520 /nfs/dbraw/zinc/43/35/20/386433520.db2.gz LGHWVFVRFGNNGF-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO CCCN(CC#N)CC[C@H]1CCCCO1 ZINC000347480004 386436067 /nfs/dbraw/zinc/43/60/67/386436067.db2.gz LVCWGODRVSVXTL-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCOc1ccccc1CN1CC[C@@H]([NH3+])[C@H]1C ZINC000414773789 386466413 /nfs/dbraw/zinc/46/64/13/386466413.db2.gz SWUBMHHMDNADPB-TZMCWYRMSA-N 1 0 246.354 2.173 20 30 BEEDRO CC[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1)OC ZINC000322753740 386495119 /nfs/dbraw/zinc/49/51/19/386495119.db2.gz DUFMXWCEXUWBLC-AWEZNQCLSA-N 1 0 232.327 2.463 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000336733251 386507143 /nfs/dbraw/zinc/50/71/43/386507143.db2.gz GLKGLNKSXDEVER-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCOc1cccc(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000414772246 386459255 /nfs/dbraw/zinc/45/92/55/386459255.db2.gz QSSPWYUBVRRDEZ-IUODEOHRSA-N 1 0 246.354 2.173 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000161761160 386461415 /nfs/dbraw/zinc/46/14/15/386461415.db2.gz CRAXAYGSTVPEFT-QWHCGFSZSA-N 1 0 244.342 2.191 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000035142201 386463470 /nfs/dbraw/zinc/46/34/70/386463470.db2.gz SAXXNTCMMMLEAW-JTQLQIEISA-N 1 0 200.285 2.446 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](C)CCCCO ZINC000471806677 386574733 /nfs/dbraw/zinc/57/47/33/386574733.db2.gz XTRBLWCIRJMNAK-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO CC#CC[N@@H+](C)CCOc1ccc(OCC)cc1 ZINC000339759550 386593912 /nfs/dbraw/zinc/59/39/12/386593912.db2.gz HHKXEAPCZVZMMA-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1F ZINC000188457765 386623356 /nfs/dbraw/zinc/62/33/56/386623356.db2.gz CDHUATKEWJTPHF-DGCLKSJQSA-N 1 0 237.318 2.283 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(CC)o1 ZINC000320540701 386615125 /nfs/dbraw/zinc/61/51/25/386615125.db2.gz QWMRIUBKBWPXIU-LLVKDONJSA-N 1 0 223.316 2.259 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1Cc2ccccc2C1 ZINC000320633283 386660327 /nfs/dbraw/zinc/66/03/27/386660327.db2.gz KZDUAQIJQWKSAW-CQSZACIVSA-N 1 0 231.339 2.071 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cc[nH]n1 ZINC000330363647 386673310 /nfs/dbraw/zinc/67/33/10/386673310.db2.gz NPCWBNLZTUODND-UHFFFAOYSA-N 1 0 220.320 2.171 20 30 BEEDRO C=CCOCC[N@@H+](CC)CCC(F)(F)F ZINC000645082918 386709254 /nfs/dbraw/zinc/70/92/54/386709254.db2.gz FDMUKRNKQTYUQT-UHFFFAOYSA-N 1 0 225.254 2.463 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccccc1OC ZINC000320687722 386686123 /nfs/dbraw/zinc/68/61/23/386686123.db2.gz VYWTZOLGNNQUEJ-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO Cc1cc(C#N)cc(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000161794392 386694878 /nfs/dbraw/zinc/69/48/78/386694878.db2.gz MHWNGYFUPKHYLS-AWEZNQCLSA-N 1 0 244.342 2.063 20 30 BEEDRO CN(c1cccc(F)c1C#N)[C@@H]1CCC[N@H+](C)C1 ZINC000088058160 386698784 /nfs/dbraw/zinc/69/87/84/386698784.db2.gz VXXRNIVFERIROR-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1F ZINC000229600743 386731755 /nfs/dbraw/zinc/73/17/55/386731755.db2.gz DLWGMJGDBHSZBS-CABZTGNLSA-N 1 0 233.290 2.250 20 30 BEEDRO CSC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192881625 386733915 /nfs/dbraw/zinc/73/39/15/386733915.db2.gz ZPMIZMUCVMLQCK-GARJFASQSA-N 1 0 212.362 2.410 20 30 BEEDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442825623 386727430 /nfs/dbraw/zinc/72/74/30/386727430.db2.gz IUURACUQINDACQ-AVGNSLFASA-N 1 0 238.375 2.311 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC000442826901 386729558 /nfs/dbraw/zinc/72/95/58/386729558.db2.gz JSMXWNACFGCCCY-JHJVBQTASA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348519633 386747194 /nfs/dbraw/zinc/74/71/94/386747194.db2.gz DYARUHFKFWEJDF-HBNTYKKESA-N 1 0 249.301 2.063 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348519632 386747357 /nfs/dbraw/zinc/74/73/57/386747357.db2.gz DYARUHFKFWEJDF-GARJFASQSA-N 1 0 249.301 2.063 20 30 BEEDRO C=CCOc1cccc(CNC[C@H]2CCC[NH2+]2)c1 ZINC000414842075 386749951 /nfs/dbraw/zinc/74/99/51/386749951.db2.gz IKXSVJOPKKGXDG-CQSZACIVSA-N 1 0 246.354 2.093 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCCCOC)cc1 ZINC000113322669 533190981 /nfs/dbraw/zinc/19/09/81/533190981.db2.gz CTVGATAATFVKOE-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1COC(C)(C)C1 ZINC000396497026 386767285 /nfs/dbraw/zinc/76/72/85/386767285.db2.gz ONYBDYFJJWMTFS-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@H](C)CC[NH+](C)C)n1 ZINC000049558610 386775978 /nfs/dbraw/zinc/77/59/78/386775978.db2.gz SMQLQBQPEXCWMC-LLVKDONJSA-N 1 0 246.358 2.322 20 30 BEEDRO CC#CCC[NH2+]Cc1ncc(CC)s1 ZINC000336667278 386782743 /nfs/dbraw/zinc/78/27/43/386782743.db2.gz WCWZBEBQLOEESP-UHFFFAOYSA-N 1 0 208.330 2.209 20 30 BEEDRO C#Cc1cccc(NC2CC[NH+](C)CC2)c1 ZINC000019876819 386784317 /nfs/dbraw/zinc/78/43/17/386784317.db2.gz DATRTKSOCIPKBX-UHFFFAOYSA-N 1 0 214.312 2.174 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(SC)s1 ZINC000336668328 386784944 /nfs/dbraw/zinc/78/49/44/386784944.db2.gz WWDJNRCSNMAEKZ-MRVPVSSYSA-N 1 0 229.370 2.107 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000411484765 386820712 /nfs/dbraw/zinc/82/07/12/386820712.db2.gz HRTVKSHKKRUYCZ-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000330645390 386811223 /nfs/dbraw/zinc/81/12/23/386811223.db2.gz FCYGUZSAIVWETA-WCQYABFASA-N 1 0 233.315 2.116 20 30 BEEDRO C=CCCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341063168 386835000 /nfs/dbraw/zinc/83/50/00/386835000.db2.gz DISOEWVBNGTAMW-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000425339738 386838739 /nfs/dbraw/zinc/83/87/39/386838739.db2.gz CWRNSGPPCNGLGW-CHWSQXEVSA-N 1 0 240.416 2.120 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000425339740 386840585 /nfs/dbraw/zinc/84/05/85/386840585.db2.gz CWRNSGPPCNGLGW-QWHCGFSZSA-N 1 0 240.416 2.120 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425342498 386841731 /nfs/dbraw/zinc/84/17/31/386841731.db2.gz AOIITYRFSFDWMS-NDBYEHHHSA-N 1 0 241.400 2.451 20 30 BEEDRO C#CC[N@@H+](Cc1cn(C)nc1C)C1CCCC1 ZINC000093819712 386850114 /nfs/dbraw/zinc/85/01/14/386850114.db2.gz GQNREJGOPDAAPT-UHFFFAOYSA-N 1 0 231.343 2.106 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000349532745 386854232 /nfs/dbraw/zinc/85/42/32/386854232.db2.gz DCTPWUXLERFWIY-LBPRGKRZSA-N 1 0 237.347 2.054 20 30 BEEDRO CC(C)N1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172490986 974837717 /nfs/dbraw/zinc/83/77/17/974837717.db2.gz BGOIAWQNEHHCQX-ZDUSSCGKSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CCSCCN[C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395090425 386857236 /nfs/dbraw/zinc/85/72/36/386857236.db2.gz UKRYXMVGAVRFLH-RYUDHWBXSA-N 1 0 228.405 2.026 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425346205 386857738 /nfs/dbraw/zinc/85/77/38/386857738.db2.gz BDJTUIPCMFZJRQ-FIQHERPVSA-N 1 0 227.373 2.061 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000425348748 386866064 /nfs/dbraw/zinc/86/60/64/386866064.db2.gz ZUTMSVDHYANFHZ-BJJPWKGXSA-N 1 0 236.359 2.472 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2CCCC2)n1 ZINC000336744641 386873202 /nfs/dbraw/zinc/87/32/02/386873202.db2.gz ZQHVVYYZWCPAMX-UHFFFAOYSA-N 1 0 221.329 2.295 20 30 BEEDRO C=CC(C)(C)c1nc(C2([NH3+])CCCC2)no1 ZINC000334862331 386915203 /nfs/dbraw/zinc/91/52/03/386915203.db2.gz KBOGFPMYSRXLHS-UHFFFAOYSA-N 1 0 221.304 2.261 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000166493021 386897015 /nfs/dbraw/zinc/89/70/15/386897015.db2.gz OFSZAKIJVXGKEI-NEPJUHHUSA-N 1 0 217.312 2.238 20 30 BEEDRO C#CCSCC[NH2+]C[C@H]1CC=CCC1 ZINC000123452853 533202212 /nfs/dbraw/zinc/20/22/12/533202212.db2.gz KCOYOMSAUQHKLO-LBPRGKRZSA-N 1 0 209.358 2.299 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000334817429 386945378 /nfs/dbraw/zinc/94/53/78/386945378.db2.gz DBNGAIMMCXPIBE-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO COC[C@@H]([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000121358557 386945642 /nfs/dbraw/zinc/94/56/42/386945642.db2.gz KXGMRSPGRGYNEB-GFCCVEGCSA-N 1 0 236.340 2.134 20 30 BEEDRO COC[C@H]([NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000121358352 386946180 /nfs/dbraw/zinc/94/61/80/386946180.db2.gz KXGMRSPGRGYNEB-LBPRGKRZSA-N 1 0 236.340 2.134 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000161726504 386967926 /nfs/dbraw/zinc/96/79/26/386967926.db2.gz ATHNNJNDMFCVBS-DGCLKSJQSA-N 1 0 244.342 2.062 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398795910 386993913 /nfs/dbraw/zinc/99/39/13/386993913.db2.gz RITLJJIRLGLNEZ-XQQFMLRXSA-N 1 0 209.333 2.045 20 30 BEEDRO CCN(CC)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192595395 386994415 /nfs/dbraw/zinc/99/44/15/386994415.db2.gz ZSQSCUSAHTXPDS-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C#N)c(F)c1 ZINC000417401512 387038359 /nfs/dbraw/zinc/03/83/59/387038359.db2.gz LMXCOEZBJGGFQW-DUFXMDAXSA-N 1 0 248.301 2.261 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1 ZINC000348215365 387040121 /nfs/dbraw/zinc/04/01/21/387040121.db2.gz BQOBZTOXCLAMCM-QWRGUYRKSA-N 1 0 222.238 2.301 20 30 BEEDRO C[C@@H](Cc1ccoc1)[NH2+]CC1(C#N)CC1 ZINC000514653110 387043332 /nfs/dbraw/zinc/04/33/32/387043332.db2.gz LKIGIZYIBDHGLE-JTQLQIEISA-N 1 0 204.273 2.104 20 30 BEEDRO C=CCCCCC[NH2+]C1CCN(C(C)=O)CC1 ZINC000514614311 387012446 /nfs/dbraw/zinc/01/24/46/387012446.db2.gz IZUFYHLUOWWCQA-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cccc(C#N)c1 ZINC000168644413 387025116 /nfs/dbraw/zinc/02/51/16/387025116.db2.gz YVZRENFHRXHTCJ-NWDGAFQWSA-N 1 0 231.343 2.159 20 30 BEEDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000168644229 387025499 /nfs/dbraw/zinc/02/54/99/387025499.db2.gz YVZRENFHRXHTCJ-RYUDHWBXSA-N 1 0 231.343 2.159 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@@H]2CCO[C@H]21 ZINC000228195395 387071264 /nfs/dbraw/zinc/07/12/64/387071264.db2.gz OCTFWMQYCQEFCA-QJPTWQEYSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000130291000 387072723 /nfs/dbraw/zinc/07/27/23/387072723.db2.gz VTXUGBNQXODRCB-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000124182328 387090464 /nfs/dbraw/zinc/09/04/64/387090464.db2.gz IFGYGIPZLHMWSW-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCOCC(F)F ZINC000188757519 387091407 /nfs/dbraw/zinc/09/14/07/387091407.db2.gz SXWHBHZMYROQQH-UWVGGRQHSA-N 1 0 221.291 2.458 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH+]1CCCC1 ZINC000424548141 387131255 /nfs/dbraw/zinc/13/12/55/387131255.db2.gz VRXMCAOMVCNESI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000127387435 387117259 /nfs/dbraw/zinc/11/72/59/387117259.db2.gz RTXIELQHTJERKZ-GXSJLCMTSA-N 1 0 249.745 2.385 20 30 BEEDRO CCOC(=O)C[C@](C)([NH2+]CCCC#N)C(C)C ZINC000186708333 387125726 /nfs/dbraw/zinc/12/57/26/387125726.db2.gz LECWTVUVAJGEHC-ZDUSSCGKSA-N 1 0 240.347 2.248 20 30 BEEDRO C=CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186929646 387146444 /nfs/dbraw/zinc/14/64/44/387146444.db2.gz CVJPWNIQCVSVMA-UHFFFAOYSA-N 1 0 249.329 2.381 20 30 BEEDRO C=CC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284232965 387160950 /nfs/dbraw/zinc/16/09/50/387160950.db2.gz DNLHUEVUIOZORY-UHFFFAOYSA-N 1 0 205.305 2.050 20 30 BEEDRO N#CC1(C[NH2+]Cc2cccc3c[nH]nc32)CCC1 ZINC000418143244 387164817 /nfs/dbraw/zinc/16/48/17/387164817.db2.gz OYMWPNDNKSUFKV-UHFFFAOYSA-N 1 0 240.310 2.346 20 30 BEEDRO COC1(C[NH2+]CC2(C#N)CCC2)CCCC1 ZINC000418144990 387167003 /nfs/dbraw/zinc/16/70/03/387167003.db2.gz WFWZKRGKINOXAC-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000418143771 387167024 /nfs/dbraw/zinc/16/70/24/387167024.db2.gz QYXHELPTDYPXDT-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000418138142 387174480 /nfs/dbraw/zinc/17/44/80/387174480.db2.gz GAMPYGWKPSYSSS-QWHCGFSZSA-N 1 0 236.359 2.473 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000193300509 387193642 /nfs/dbraw/zinc/19/36/42/387193642.db2.gz ZVOYXZRTMJKAIP-OLZOCXBDSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCCCC[N@@H+](CC)[C@@H](C)CS(C)(=O)=O ZINC000571869120 387182052 /nfs/dbraw/zinc/18/20/52/387182052.db2.gz UKPCCIKBONIBAM-LBPRGKRZSA-N 1 0 247.404 2.098 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)CC(C)C ZINC000418104342 387132626 /nfs/dbraw/zinc/13/26/26/387132626.db2.gz UMHNVJGHCGZFPD-CQSZACIVSA-N 1 0 249.358 2.047 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121673683 387140478 /nfs/dbraw/zinc/14/04/78/387140478.db2.gz KFAPEHKXAICKBG-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO COC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000193274601 387204245 /nfs/dbraw/zinc/20/42/45/387204245.db2.gz YQFIWDJYHYCCHA-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[NH+]1CCN(CC(F)F)CC1 ZINC000571987309 387214570 /nfs/dbraw/zinc/21/45/70/387214570.db2.gz LQKXEOUJSCTVBZ-UHFFFAOYSA-N 1 0 232.318 2.225 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@H](C)CCC#N ZINC000571979322 387215599 /nfs/dbraw/zinc/21/55/99/387215599.db2.gz CHZPAWGXDDABQL-GFCCVEGCSA-N 1 0 234.347 2.206 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191926745 387222750 /nfs/dbraw/zinc/22/27/50/387222750.db2.gz QTUHTYLVGYBVQE-KGLIPLIRSA-N 1 0 230.311 2.410 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000424645979 387232997 /nfs/dbraw/zinc/23/29/97/387232997.db2.gz SKIXQUPBGARZML-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C1 ZINC000193319053 387199663 /nfs/dbraw/zinc/19/96/63/387199663.db2.gz YOHYMSQOQUGXCM-YIYPIFLZSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000336487605 387316038 /nfs/dbraw/zinc/31/60/38/387316038.db2.gz DNEVZJUPPHTMBO-UHFFFAOYSA-N 1 0 208.349 2.124 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CN[C@@H]1CCC[C@H](C#N)C1 ZINC000423380141 387262853 /nfs/dbraw/zinc/26/28/53/387262853.db2.gz GZHCSFXFKPCCHP-BFHYXJOUSA-N 1 0 249.402 2.437 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000230265304 387265415 /nfs/dbraw/zinc/26/54/15/387265415.db2.gz PLTPBNZJRLTDPZ-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@@](C)(O)CC ZINC000189720109 387288872 /nfs/dbraw/zinc/28/88/72/387288872.db2.gz CKNQSQKINLXQIW-HNNXBMFYSA-N 1 0 231.339 2.283 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H](CO)C(C)(C)C ZINC000269698444 387371088 /nfs/dbraw/zinc/37/10/88/387371088.db2.gz XWZWWNHABKVOAA-CQSZACIVSA-N 1 0 246.354 2.397 20 30 BEEDRO C=CCC[C@@H](CC)N[C@H]1C[NH2+]CCC1(F)F ZINC000423480173 387326710 /nfs/dbraw/zinc/32/67/10/387326710.db2.gz PCEBQCLGDDUAGR-MNOVXSKESA-N 1 0 232.318 2.318 20 30 BEEDRO C#CC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC000162242443 387335324 /nfs/dbraw/zinc/33/53/24/387335324.db2.gz BCMXCCYGOYFTNH-AWEZNQCLSA-N 1 0 234.387 2.349 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCC[C@H]1O ZINC000270096607 387335529 /nfs/dbraw/zinc/33/55/29/387335529.db2.gz KRZYRPLZYREFDP-HUUCEWRRSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCCCO)C1CC1 ZINC000192931601 387343325 /nfs/dbraw/zinc/34/33/25/387343325.db2.gz COJVWLCTOOAZQA-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO CCCC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191161843 387350475 /nfs/dbraw/zinc/35/04/75/387350475.db2.gz BGBLYHKGBFIYCU-UHFFFAOYSA-N 1 0 205.305 2.129 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000162565562 387425155 /nfs/dbraw/zinc/42/51/55/387425155.db2.gz TWNDBWPNYMHGIL-GFCCVEGCSA-N 1 0 233.311 2.205 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000352672631 387432839 /nfs/dbraw/zinc/43/28/39/387432839.db2.gz VJOYUAFAHNIAEF-UWVGGRQHSA-N 1 0 237.265 2.055 20 30 BEEDRO CC[C@@H](C(=O)Nc1cc(C#N)ccc1C)[NH+](C)C ZINC000268815194 387440525 /nfs/dbraw/zinc/44/05/25/387440525.db2.gz POPIWQNTBOVZCE-ZDUSSCGKSA-N 1 0 245.326 2.145 20 30 BEEDRO CC1CCC(O)(C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000433297981 387444782 /nfs/dbraw/zinc/44/47/82/387444782.db2.gz MXOSLNPPMQEENM-UHFFFAOYSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000271702810 387447923 /nfs/dbraw/zinc/44/79/23/387447923.db2.gz DLUQTQBSUNYZPW-UHFFFAOYSA-N 1 0 227.311 2.486 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423951868 387457141 /nfs/dbraw/zinc/45/71/41/387457141.db2.gz KIPSRJQDPXMOSY-GFCCVEGCSA-N 1 0 238.375 2.244 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000273488854 387458759 /nfs/dbraw/zinc/45/87/59/387458759.db2.gz WIMPPUGMBUXOFV-XHDPSFHLSA-N 1 0 247.338 2.304 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000321538207 387401200 /nfs/dbraw/zinc/40/12/00/387401200.db2.gz ZSTIOUCNDQEXAQ-CYBMUJFWSA-N 1 0 230.311 2.195 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000321538209 387401824 /nfs/dbraw/zinc/40/18/24/387401824.db2.gz ZSTIOUCNDQEXAQ-ZDUSSCGKSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000266080761 387402077 /nfs/dbraw/zinc/40/20/77/387402077.db2.gz YCCWPUNTFYJXMI-CYBMUJFWSA-N 1 0 219.328 2.446 20 30 BEEDRO N#CCCC1CC[NH+](CCOCC(F)F)CC1 ZINC000515642980 387407213 /nfs/dbraw/zinc/40/72/13/387407213.db2.gz DXCNPWYQDRDKIX-UHFFFAOYSA-N 1 0 246.301 2.284 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268281694 387415154 /nfs/dbraw/zinc/41/51/54/387415154.db2.gz PIGLWZUVUUUTOE-CHWSQXEVSA-N 1 0 233.311 2.191 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000273505944 387461156 /nfs/dbraw/zinc/46/11/56/387461156.db2.gz WCOOUTHNFBJVBP-FZMZJTMJSA-N 1 0 237.318 2.456 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000274820453 387494522 /nfs/dbraw/zinc/49/45/22/387494522.db2.gz JPJJPFGZVAUBFO-NSHDSACASA-N 1 0 230.315 2.346 20 30 BEEDRO COC[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093337637 387497353 /nfs/dbraw/zinc/49/73/53/387497353.db2.gz OEEJAMYJLVUVTM-NSHDSACASA-N 1 0 234.299 2.010 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346128111 387501155 /nfs/dbraw/zinc/50/11/55/387501155.db2.gz JAIHGUCVTKXHSS-ZJUUUORDSA-N 1 0 236.290 2.383 20 30 BEEDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000346216339 387513618 /nfs/dbraw/zinc/51/36/18/387513618.db2.gz SSTVLRLXSYJMFW-SNVBAGLBSA-N 1 0 248.301 2.263 20 30 BEEDRO CC[C@H]1CN(Cc2ccc(F)c(C#N)c2)CCO1 ZINC000160758181 387517398 /nfs/dbraw/zinc/51/73/98/387517398.db2.gz GMLOPOKJZCHRRK-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)cnn1C ZINC000192659983 387520943 /nfs/dbraw/zinc/52/09/43/387520943.db2.gz MMAMCVNGSCIKLX-WCFLWFBJSA-N 1 0 246.358 2.462 20 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Cc1cnccc1C[NH+]1CCC(C#N)CC1 ZINC000527535044 387628222 /nfs/dbraw/zinc/62/82/22/387628222.db2.gz ZFOLXVRDZBPYHX-UHFFFAOYSA-N 1 0 215.300 2.126 20 30 BEEDRO C=CCCCC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000580414078 387593758 /nfs/dbraw/zinc/59/37/58/387593758.db2.gz HQQWAFNPUPJZMV-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528400109 387594444 /nfs/dbraw/zinc/59/44/44/387594444.db2.gz KCWPTCDWVLMOSJ-OLZOCXBDSA-N 1 0 236.359 2.019 20 30 BEEDRO CC[N@@H+](CCC#N)CCCOCC(F)(F)F ZINC000042454583 387628813 /nfs/dbraw/zinc/62/88/13/387628813.db2.gz MSFVYXPDISTIQI-UHFFFAOYSA-N 1 0 238.253 2.191 20 30 BEEDRO Cc1cc(C[NH+]2CCC(C#N)CC2)ccn1 ZINC000527532605 387600174 /nfs/dbraw/zinc/60/01/74/387600174.db2.gz JPTCCJVWVWSODR-UHFFFAOYSA-N 1 0 215.300 2.126 20 30 BEEDRO CC1=C[C@H](C)CN(C[C@@H](C#N)CCC#N)C1 ZINC000430267121 387603952 /nfs/dbraw/zinc/60/39/52/387603952.db2.gz JBECMHRGIWFHHN-WCQYABFASA-N 1 0 217.316 2.328 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430276146 387605004 /nfs/dbraw/zinc/60/50/04/387605004.db2.gz LOVNJMZYNIDQRJ-ZDUSSCGKSA-N 1 0 248.370 2.085 20 30 BEEDRO Cc1ccnc(NC[C@H](C)[N@H+](C)C2CC2)c1C#N ZINC000230078099 387621505 /nfs/dbraw/zinc/62/15/05/387621505.db2.gz VMDGEQQTZGCHIX-NSHDSACASA-N 1 0 244.342 2.156 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000293738392 387552116 /nfs/dbraw/zinc/55/21/16/387552116.db2.gz NIEDWOXAFBCIIC-CYBMUJFWSA-N 1 0 248.301 2.354 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278824452 387555940 /nfs/dbraw/zinc/55/59/40/387555940.db2.gz IVOGIIKZCHDKTE-GFCCVEGCSA-N 1 0 248.301 2.087 20 30 BEEDRO CCc1nc(C)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000426326218 387556100 /nfs/dbraw/zinc/55/61/00/387556100.db2.gz YCSKGZBITWZARI-MNOVXSKESA-N 1 0 233.315 2.327 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CCOCC)cc1 ZINC000278848465 387556483 /nfs/dbraw/zinc/55/64/83/387556483.db2.gz DTAUFFOMVXBINU-UHFFFAOYSA-N 1 0 217.312 2.136 20 30 BEEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000430738397 387646664 /nfs/dbraw/zinc/64/66/64/387646664.db2.gz LCQSIXKTKOCVCL-SDDRHHMPSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451901977 387676023 /nfs/dbraw/zinc/67/60/23/387676023.db2.gz HHKGDSPTXYLNSZ-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000451910315 387678398 /nfs/dbraw/zinc/67/83/98/387678398.db2.gz MVSKFPQQFMEAIE-HZSPNIEDSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452000357 387696395 /nfs/dbraw/zinc/69/63/95/387696395.db2.gz YVCPFWXYHMKLQQ-KGLIPLIRSA-N 1 0 245.322 2.061 20 30 BEEDRO CC(C)N1CC[C@@H]([N@H+](C)CCCCC#N)C1 ZINC000452115791 387746038 /nfs/dbraw/zinc/74/60/38/387746038.db2.gz MALQBNDNTIAMCU-CYBMUJFWSA-N 1 0 223.364 2.095 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)CC2(C#N)CCC2)C1 ZINC000452126799 387750373 /nfs/dbraw/zinc/75/03/73/387750373.db2.gz ZECAQMSPRIMDMK-CYBMUJFWSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000452060687 387719717 /nfs/dbraw/zinc/71/97/17/387719717.db2.gz FLOPSZGVWWURKZ-AGIUHOORSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428791 387721303 /nfs/dbraw/zinc/72/13/03/387721303.db2.gz XEYUFCPKJAXXJI-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000452110417 387742510 /nfs/dbraw/zinc/74/25/10/387742510.db2.gz YXVFDBHGNONFLU-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[C@@H](NC[C@@H](C)[NH3+])c1ccco1 ZINC000643527210 387763809 /nfs/dbraw/zinc/76/38/09/387763809.db2.gz KSKDMQJOWCNTMR-GHMZBOCLSA-N 1 0 208.305 2.224 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccnc1 ZINC000424147688 387781115 /nfs/dbraw/zinc/78/11/15/387781115.db2.gz YRDMRYVOMCEBBM-XBFCOCLRSA-N 1 0 232.327 2.323 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1ccc(C#N)cc1 ZINC000353484283 387798942 /nfs/dbraw/zinc/79/89/42/387798942.db2.gz JGRYWJLRQSBLSG-ABAIWWIYSA-N 1 0 244.338 2.227 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000528008319 387820780 /nfs/dbraw/zinc/82/07/80/387820780.db2.gz SCIXEGJLRCJEGJ-KLVXDSBYSA-N 1 0 236.359 2.470 20 30 BEEDRO CC(C)C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N(C)C ZINC000442711247 387826014 /nfs/dbraw/zinc/82/60/14/387826014.db2.gz DTIZFPHBACOCTK-MELADBBJSA-N 1 0 237.391 2.245 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000564093679 387827130 /nfs/dbraw/zinc/82/71/30/387827130.db2.gz BKMQZSVJYWYHQD-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000442719210 387828515 /nfs/dbraw/zinc/82/85/15/387828515.db2.gz REKWEEDIVWUUGN-YPMHNXCESA-N 1 0 248.301 2.486 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCC[C@@H](C)C1 ZINC000442719236 387829429 /nfs/dbraw/zinc/82/94/29/387829429.db2.gz RHORJQGDCKWWNA-TUVASFSCSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442726223 387831003 /nfs/dbraw/zinc/83/10/03/387831003.db2.gz RVJXQFSIMHYYGE-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cnc(C2CC2)s1 ZINC000309599603 387831913 /nfs/dbraw/zinc/83/19/13/387831913.db2.gz WACUAQLDJNMCNB-SNVBAGLBSA-N 1 0 238.356 2.047 20 30 BEEDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442775667 387836884 /nfs/dbraw/zinc/83/68/84/387836884.db2.gz AXZLCLWFKJNRQO-BFHYXJOUSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442770212 387837306 /nfs/dbraw/zinc/83/73/06/387837306.db2.gz RCYQPJFMJGUUOX-MGPQQGTHSA-N 1 0 235.375 2.000 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000442775937 387837497 /nfs/dbraw/zinc/83/74/97/387837497.db2.gz CPQCCEDGZQULCW-WCQYABFASA-N 1 0 248.301 2.486 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000295173012 387839477 /nfs/dbraw/zinc/83/94/77/387839477.db2.gz GXGRGHQLSQSYQX-ZDUSSCGKSA-N 1 0 248.301 2.354 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000442786807 387840046 /nfs/dbraw/zinc/84/00/46/387840046.db2.gz CFFAZICEAAONSZ-STQMWFEESA-N 1 0 230.311 2.217 20 30 BEEDRO Cc1nccn1CCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442796867 387841776 /nfs/dbraw/zinc/84/17/76/387841776.db2.gz WHNRGKFYRSQLBQ-KBPBESRZSA-N 1 0 246.358 2.254 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2O)C1 ZINC000442793918 387842149 /nfs/dbraw/zinc/84/21/49/387842149.db2.gz QYXQSCYUFUXZOG-DGCLKSJQSA-N 1 0 230.311 2.217 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC000442792786 387842301 /nfs/dbraw/zinc/84/23/01/387842301.db2.gz QXZQUEWMYAMZJV-CABCVRRESA-N 1 0 244.338 2.485 20 30 BEEDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442798402 387844753 /nfs/dbraw/zinc/84/47/53/387844753.db2.gz WXCOEMIHOKPWOQ-MRVWCRGKSA-N 1 0 246.358 2.110 20 30 BEEDRO N#CCCC[C@H]([NH2+]CCCO)c1ccccc1 ZINC000433016018 387850142 /nfs/dbraw/zinc/85/01/42/387850142.db2.gz MWIPQBXGMZGQRT-AWEZNQCLSA-N 1 0 232.327 2.394 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000442857170 387851279 /nfs/dbraw/zinc/85/12/79/387851279.db2.gz PCZGPLJIMZJONR-LERXQTSPSA-N 1 0 248.301 2.141 20 30 BEEDRO CCOC1CC(CC[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442861366 387852877 /nfs/dbraw/zinc/85/28/77/387852877.db2.gz XUKZAIBUOJIGOE-QPPOZKHWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@H]2CCCC[C@H]2C)nn1 ZINC000424172058 387865620 /nfs/dbraw/zinc/86/56/20/387865620.db2.gz NGJOHTXERDBSEE-CHWSQXEVSA-N 1 0 248.374 2.380 20 30 BEEDRO CO[C@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353598725 387818471 /nfs/dbraw/zinc/81/84/71/387818471.db2.gz UNQDPBFZFSRJOS-YGRLFVJLSA-N 1 0 230.311 2.170 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccnn1C(C)C ZINC000424179321 387891611 /nfs/dbraw/zinc/89/16/11/387891611.db2.gz YEAYGUTVDHVXRL-JSGCOSHPSA-N 1 0 249.358 2.145 20 30 BEEDRO C=C1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000444624785 387894178 /nfs/dbraw/zinc/89/41/78/387894178.db2.gz MRZBAEVSWNBYNP-ZDUSSCGKSA-N 1 0 225.332 2.182 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)CCCCC)CC1 ZINC000194884592 387898069 /nfs/dbraw/zinc/89/80/69/387898069.db2.gz BGEAYAZRVZDECB-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537399 387875714 /nfs/dbraw/zinc/87/57/14/387875714.db2.gz GUCLZLHKXNPESJ-XQQFMLRXSA-N 1 0 228.355 2.411 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccsc1 ZINC000424176983 387887296 /nfs/dbraw/zinc/88/72/96/387887296.db2.gz SNWACFWAZKTHRD-RYUDHWBXSA-N 1 0 223.341 2.429 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000424178552 387889128 /nfs/dbraw/zinc/88/91/28/387889128.db2.gz WMAQRINUIMVZMM-AAEUAGOBSA-N 1 0 248.351 2.300 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000174551477 387904315 /nfs/dbraw/zinc/90/43/15/387904315.db2.gz OSQGBHSZFIKVEL-ZDUSSCGKSA-N 1 0 246.358 2.062 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)CC1(CO)CC1 ZINC000444680450 387909421 /nfs/dbraw/zinc/90/94/21/387909421.db2.gz PEYQUFDZEHEOBO-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000036321105 387910609 /nfs/dbraw/zinc/91/06/09/387910609.db2.gz CBCYPHCBNNBCCP-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC000452772625 387912891 /nfs/dbraw/zinc/91/28/91/387912891.db2.gz GMQLHWFPHXTNDV-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H]1[N@H+](CC(=O)NCC)CCCC1(C)C ZINC000444785415 387933238 /nfs/dbraw/zinc/93/32/38/387933238.db2.gz YCFMXMJYSYPYNL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423155886 387935153 /nfs/dbraw/zinc/93/51/53/387935153.db2.gz RKIQZZYDRKQBFR-XGUBFFRZSA-N 1 0 244.338 2.064 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000226250778 387952986 /nfs/dbraw/zinc/95/29/86/387952986.db2.gz SUQDOJJYOVJYBU-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000185039822 387953401 /nfs/dbraw/zinc/95/34/01/387953401.db2.gz HKKOTGYNIWNBGF-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCCC2(C)C)nn1 ZINC000424289643 387953579 /nfs/dbraw/zinc/95/35/79/387953579.db2.gz AAILHFJZXUTPIV-GFCCVEGCSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](COC)CC(C)C ZINC000424292641 387953969 /nfs/dbraw/zinc/95/39/69/387953969.db2.gz HBPYZVVSWNQREA-MJBXVCDLSA-N 1 0 241.375 2.228 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nccn1CC ZINC000424300919 387960702 /nfs/dbraw/zinc/96/07/02/387960702.db2.gz YSFMYPLWPAFXRL-AVGNSLFASA-N 1 0 249.358 2.145 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nccs1 ZINC000424300608 387961142 /nfs/dbraw/zinc/96/11/42/387961142.db2.gz YAUPYJMZFRNAGG-VWYCJHECSA-N 1 0 238.356 2.385 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)nn1 ZINC000424301074 387961589 /nfs/dbraw/zinc/96/15/89/387961589.db2.gz ZJINKGUHLDKMAF-UONOGXRCSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCNC1 ZINC000423177121 387963785 /nfs/dbraw/zinc/96/37/85/387963785.db2.gz AHBLVEXBBNGSFC-OLZOCXBDSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCNC1 ZINC000423177123 387964323 /nfs/dbraw/zinc/96/43/23/387964323.db2.gz AHBLVEXBBNGSFC-STQMWFEESA-N 1 0 210.365 2.463 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000424317250 387967462 /nfs/dbraw/zinc/96/74/62/387967462.db2.gz BOQBQJSZWUYHOY-LOWDOPEQSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCOC1 ZINC000424333622 387978768 /nfs/dbraw/zinc/97/87/68/387978768.db2.gz UQDGGTVKOXXPOI-MROQNXINSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000194360242 387980917 /nfs/dbraw/zinc/98/09/17/387980917.db2.gz HFDHBWQVQIGICO-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424337237 387980957 /nfs/dbraw/zinc/98/09/57/387980957.db2.gz ZFSSSZOGHLMGST-LPTSXCQYSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCNC1 ZINC000423188632 387972655 /nfs/dbraw/zinc/97/26/55/387972655.db2.gz LVOUIUSPYFWCRE-QWHCGFSZSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000439274305 387990011 /nfs/dbraw/zinc/99/00/11/387990011.db2.gz OQZGPFDJFMXKPP-IHRRRGAJSA-N 1 0 241.375 2.467 20 30 BEEDRO C=CCC[C@H](N[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423208900 387994064 /nfs/dbraw/zinc/99/40/64/387994064.db2.gz FJXGIRXQOMHRTL-NEPJUHHUSA-N 1 0 220.316 2.238 20 30 BEEDRO CC[N@H+](C[C@H](C)OC)[C@H]1CC[C@@H](C#N)C1 ZINC000339208464 135065765 /nfs/dbraw/zinc/06/57/65/135065765.db2.gz ZRKDQZLLZISAMU-TUAOUCFPSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CCCCC#N)C12CCC2 ZINC000453112056 387986897 /nfs/dbraw/zinc/98/68/97/387986897.db2.gz SOJDKJBLHGYONJ-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423221351 388001911 /nfs/dbraw/zinc/00/19/11/388001911.db2.gz ZLYQKRGYLZLMCM-QWRGUYRKSA-N 1 0 232.327 2.401 20 30 BEEDRO C#CC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000045943814 388003894 /nfs/dbraw/zinc/00/38/94/388003894.db2.gz KAKMAYRTXAATGN-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289843 388035567 /nfs/dbraw/zinc/03/55/67/388035567.db2.gz JFVIIJCVCJFFHA-NIFZNCRKSA-N 1 0 249.402 2.387 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCCO1 ZINC000453290851 388035716 /nfs/dbraw/zinc/03/57/16/388035716.db2.gz MBKBZOTVJVIJSK-CYDGBPFRSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CCCN1C ZINC000446763563 388037027 /nfs/dbraw/zinc/03/70/27/388037027.db2.gz WXDKMNVASQNYLG-YIYPIFLZSA-N 1 0 235.375 2.141 20 30 BEEDRO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)O ZINC000446802450 388038418 /nfs/dbraw/zinc/03/84/18/388038418.db2.gz GDDZLFDFRZRGFA-AGIUHOORSA-N 1 0 238.375 2.454 20 30 BEEDRO CC(C)C[C@@H](CN)[NH2+]C1CCC(C)(C#N)CC1 ZINC000423262582 388039760 /nfs/dbraw/zinc/03/97/60/388039760.db2.gz MTFHRHSMXZXTMQ-MOKVOYLWSA-N 1 0 237.391 2.422 20 30 BEEDRO C=CC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000159718115 388028356 /nfs/dbraw/zinc/02/83/56/388028356.db2.gz JNJLUBXQRBEETF-LLVKDONJSA-N 1 0 207.321 2.264 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC(CC)(CC)C1 ZINC000446710421 388030735 /nfs/dbraw/zinc/03/07/35/388030735.db2.gz FGTLVMUMDFRBFF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccncc1F ZINC000453359749 388057755 /nfs/dbraw/zinc/05/77/55/388057755.db2.gz PFKRPGZHSUYVJY-GHMZBOCLSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000453360495 388058682 /nfs/dbraw/zinc/05/86/82/388058682.db2.gz OHLWCNUNZBOTRU-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(CO)c1 ZINC000453369723 388061722 /nfs/dbraw/zinc/06/17/22/388061722.db2.gz SMVVQCZFCFAECT-DFBGVHRSSA-N 1 0 247.338 2.173 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000453371730 388062884 /nfs/dbraw/zinc/06/28/84/388062884.db2.gz UUJTXQWKCQJAOA-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cccnc1 ZINC000453371103 388062920 /nfs/dbraw/zinc/06/29/20/388062920.db2.gz VJHOEYYJCKWYAO-BNOWGMLFSA-N 1 0 232.327 2.466 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453399761 388072667 /nfs/dbraw/zinc/07/26/67/388072667.db2.gz LHCRWAPPPJWCBL-OCCSQVGLSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(CC)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000536894091 388080410 /nfs/dbraw/zinc/08/04/10/388080410.db2.gz SAIPQYPYOFFGIU-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2occc21 ZINC000447586208 388081092 /nfs/dbraw/zinc/08/10/92/388081092.db2.gz MTQRDKXHOGAMTQ-DGCLKSJQSA-N 1 0 235.327 2.431 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000447848802 388096565 /nfs/dbraw/zinc/09/65/65/388096565.db2.gz NBKZAAZGVSEHDI-MJBXVCDLSA-N 1 0 239.359 2.221 20 30 BEEDRO CCOCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036879 388098883 /nfs/dbraw/zinc/09/88/83/388098883.db2.gz ONUBZABRRTXGNC-UHFFFAOYSA-N 1 0 244.338 2.236 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC(C)(C)[NH+](C)C ZINC000424538314 388105123 /nfs/dbraw/zinc/10/51/23/388105123.db2.gz GJDLFJDHJPMIKD-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000453325177 388048132 /nfs/dbraw/zinc/04/81/32/388048132.db2.gz UDMSUUKTEGSTFI-GFCCVEGCSA-N 1 0 219.332 2.353 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449199061 388156719 /nfs/dbraw/zinc/15/67/19/388156719.db2.gz AVNXICXQGLVNPK-IYXRBSQSSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCC12CCC2 ZINC000449205028 388156726 /nfs/dbraw/zinc/15/67/26/388156726.db2.gz NPBFCBWAGBCHQM-CHWSQXEVSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc2ccoc21 ZINC000449239035 388160840 /nfs/dbraw/zinc/16/08/40/388160840.db2.gz UHFWALAGKXWSSF-ZDUSSCGKSA-N 1 0 231.295 2.459 20 30 BEEDRO CC(C)(C#N)CNCc1cc2cccnc2o1 ZINC000449241829 388161001 /nfs/dbraw/zinc/16/10/01/388161001.db2.gz UYTREOFCBTYHTO-UHFFFAOYSA-N 1 0 229.283 2.467 20 30 BEEDRO COCC1CCC([NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000449247398 388161592 /nfs/dbraw/zinc/16/15/92/388161592.db2.gz FYFAFSYSNKVSMG-YIOUJQMASA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1c(C)nnn1CC ZINC000449254004 388163655 /nfs/dbraw/zinc/16/36/55/388163655.db2.gz VRAMFWHNAUVFOP-LLVKDONJSA-N 1 0 236.363 2.441 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000449290315 388168123 /nfs/dbraw/zinc/16/81/23/388168123.db2.gz FPHHQLBGOMFBCP-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCCF ZINC000449307661 388170568 /nfs/dbraw/zinc/17/05/68/388170568.db2.gz QOZWNDQHQQJOAS-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1ccnc(OC)n1 ZINC000449373392 388184831 /nfs/dbraw/zinc/18/48/31/388184831.db2.gz QZABNMYEYVKWAW-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000448953196 388122768 /nfs/dbraw/zinc/12/27/68/388122768.db2.gz HLOQOGSKQSUDHA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000448972976 388123976 /nfs/dbraw/zinc/12/39/76/388123976.db2.gz WZXIRHRTOPRAPY-LBPRGKRZSA-N 1 0 240.391 2.291 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000249543808 388130347 /nfs/dbraw/zinc/13/03/47/388130347.db2.gz FSMZDFOKKJFXSI-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000646068188 388136482 /nfs/dbraw/zinc/13/64/82/388136482.db2.gz MBQIGTJKBFPPSO-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCNC(=O)C(C)C ZINC000449063512 388137768 /nfs/dbraw/zinc/13/77/68/388137768.db2.gz PUKJTBJNLARFEH-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646100623 388143151 /nfs/dbraw/zinc/14/31/51/388143151.db2.gz YJFUBRAIZNZWQC-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@H](Cc1ccoc1)[NH2+]CCCCC#N ZINC000449132429 388146757 /nfs/dbraw/zinc/14/67/57/388146757.db2.gz UMSZSISSOMQHKK-LLVKDONJSA-N 1 0 206.289 2.494 20 30 BEEDRO C#CCN(CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490923460 388260519 /nfs/dbraw/zinc/26/05/19/388260519.db2.gz KOOUXSUBMRHKKV-UHFFFAOYSA-N 1 0 248.282 2.059 20 30 BEEDRO C#CC[N@H+](CC[C@H]1CCOC1)C1CCCC1 ZINC000490719408 388249373 /nfs/dbraw/zinc/24/93/73/388249373.db2.gz MMWRIALTIPNOOK-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000165151216 388250982 /nfs/dbraw/zinc/25/09/82/388250982.db2.gz VXTMTELGRWFZCB-LBPRGKRZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCCCC[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC000645936283 388253201 /nfs/dbraw/zinc/25/32/01/388253201.db2.gz QUXUSUFCAXUHTJ-LBPRGKRZSA-N 1 0 244.329 2.368 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H](C)c1ccccc1 ZINC000194673114 388258478 /nfs/dbraw/zinc/25/84/78/388258478.db2.gz IEWXACPZXLNHSI-TZMCWYRMSA-N 1 0 219.328 2.317 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000449404030 388195649 /nfs/dbraw/zinc/19/56/49/388195649.db2.gz SWERGXNIFRKROB-RVMXOQNASA-N 1 0 224.348 2.329 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449416377 388198695 /nfs/dbraw/zinc/19/86/95/388198695.db2.gz SRSDVQRZEWUSGQ-WOPDTQHZSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000456384677 388198730 /nfs/dbraw/zinc/19/87/30/388198730.db2.gz QGJGCXVJSVHEEL-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC[N@@H+]1CC[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000093492391 388205296 /nfs/dbraw/zinc/20/52/96/388205296.db2.gz SNWYVRNEHVDKRH-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445260 388207720 /nfs/dbraw/zinc/20/77/20/388207720.db2.gz HEQGXZAXHIORQJ-NOOOWODRSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445261 388208028 /nfs/dbraw/zinc/20/80/28/388208028.db2.gz HEQGXZAXHIORQJ-RHYQMDGZSA-N 1 0 224.373 2.410 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000449474394 388213723 /nfs/dbraw/zinc/21/37/23/388213723.db2.gz JPSVOBGWAIPIKS-UHFFFAOYSA-N 1 0 246.310 2.187 20 30 BEEDRO CC[C@](C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)OC ZINC000449480162 388215247 /nfs/dbraw/zinc/21/52/47/388215247.db2.gz XNSDLYYYYXTWIA-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCn1ccnc1C ZINC000489504466 388219744 /nfs/dbraw/zinc/21/97/44/388219744.db2.gz AFFQJMVKLRDLAW-ZDUSSCGKSA-N 1 0 219.332 2.232 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1F ZINC000449516849 388221609 /nfs/dbraw/zinc/22/16/09/388221609.db2.gz CTVGSRWCTHJWAX-OLZOCXBDSA-N 1 0 221.275 2.259 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C=C/c1ccncc1 ZINC000449516783 388221734 /nfs/dbraw/zinc/22/17/34/388221734.db2.gz CELQTXINENNKDS-JKWAOEONSA-N 1 0 230.311 2.028 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccncc1F ZINC000449546453 388229266 /nfs/dbraw/zinc/22/92/66/388229266.db2.gz CBRAZTLAFXZDJD-OLZOCXBDSA-N 1 0 236.290 2.044 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1CCOCC1 ZINC000449549216 388229402 /nfs/dbraw/zinc/22/94/02/388229402.db2.gz VTLKAUHNSKZFIG-BNOWGMLFSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000449548965 388229759 /nfs/dbraw/zinc/22/97/59/388229759.db2.gz SNWYONKUHCAUMW-UTUOFQBUSA-N 1 0 227.373 2.063 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000449548448 388229881 /nfs/dbraw/zinc/22/98/81/388229881.db2.gz NIXWSOVUCYAXDS-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@@H](C)C1 ZINC000449549344 388230007 /nfs/dbraw/zinc/23/00/07/388230007.db2.gz WZSBBBZYNDAXGQ-XQHKEYJVSA-N 1 0 209.333 2.498 20 30 BEEDRO C#CC[N@@H+](Cc1cnn(C)c1C)C1CCCC1 ZINC000490915288 388259829 /nfs/dbraw/zinc/25/98/29/388259829.db2.gz MVMDZOBXEPIEHH-UHFFFAOYSA-N 1 0 231.343 2.106 20 30 BEEDRO C[C@H]([NH2+]CCn1ccnc1)c1cccc(C#N)c1 ZINC000041119737 388233510 /nfs/dbraw/zinc/23/35/10/388233510.db2.gz BMWARLYJMNTITF-LBPRGKRZSA-N 1 0 240.310 2.106 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)CC(=O)NC ZINC000449602644 388239997 /nfs/dbraw/zinc/23/99/97/388239997.db2.gz PFSXFVUDOOGEEI-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C[C@H]([NH2+]C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000037256236 388242279 /nfs/dbraw/zinc/24/22/79/388242279.db2.gz GNZISUDSTZKDOW-LBPRGKRZSA-N 1 0 243.354 2.303 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449624190 388245508 /nfs/dbraw/zinc/24/55/08/388245508.db2.gz NDMPQYGTEIUAMQ-TUAOUCFPSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000459576561 388246550 /nfs/dbraw/zinc/24/65/50/388246550.db2.gz FDEQQKKGTULOTK-UHFFFAOYSA-N 1 0 221.348 2.454 20 30 BEEDRO C#CC[N@H+](CC)CCCC1(C#N)CCOCC1 ZINC000490668782 388246745 /nfs/dbraw/zinc/24/67/45/388246745.db2.gz BPJNKDQZQUTXOM-UHFFFAOYSA-N 1 0 234.343 2.042 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCOC1 ZINC000490689058 388247677 /nfs/dbraw/zinc/24/76/77/388247677.db2.gz MRFBSUODYZYKEU-AWEZNQCLSA-N 1 0 247.313 2.297 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCC(C)(C)C#N)C[C@H]1C ZINC000451556018 388281095 /nfs/dbraw/zinc/28/10/95/388281095.db2.gz CKYGWVFWKRETPT-VXGBXAGGSA-N 1 0 224.348 2.283 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1(C)C ZINC000451555226 388281381 /nfs/dbraw/zinc/28/13/81/388281381.db2.gz HPLKKAJHDOMDLZ-YNEHKIRRSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451572078 388282856 /nfs/dbraw/zinc/28/28/56/388282856.db2.gz XCALRXHWCODAQZ-QWHCGFSZSA-N 1 0 241.375 2.060 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000451605901 388283513 /nfs/dbraw/zinc/28/35/13/388283513.db2.gz LAMRAKZSFTXNLX-UHTWSYAYSA-N 1 0 218.300 2.076 20 30 BEEDRO N#CCCCC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451608066 388284081 /nfs/dbraw/zinc/28/40/81/388284081.db2.gz NBSOUNPFMNIHKC-ZIAGYGMSSA-N 1 0 236.359 2.067 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCOCC1CCC1 ZINC000491309210 388284319 /nfs/dbraw/zinc/28/43/19/388284319.db2.gz XSWGYEBQBKQGQZ-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCN(CC#CC)Cc1ccc(C#N)c(F)c1 ZINC000491315323 388284486 /nfs/dbraw/zinc/28/44/86/388284486.db2.gz MQXGJTBAQOZCOE-UHFFFAOYSA-N 1 0 240.281 2.156 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000451632381 388286536 /nfs/dbraw/zinc/28/65/36/388286536.db2.gz OGOVZCDXZCVRQX-HUUCEWRRSA-N 1 0 247.313 2.334 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451650075 388287883 /nfs/dbraw/zinc/28/78/83/388287883.db2.gz UHMAKHJTJBJHNT-OLZOCXBDSA-N 1 0 241.400 2.141 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000451677865 388289391 /nfs/dbraw/zinc/28/93/91/388289391.db2.gz CYLLUZAFIJOENR-OLZOCXBDSA-N 1 0 236.290 2.044 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCF ZINC000451676977 388289420 /nfs/dbraw/zinc/28/94/20/388289420.db2.gz BMCFGBXVJDFJIH-MNOVXSKESA-N 1 0 201.285 2.059 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000491375552 388289716 /nfs/dbraw/zinc/28/97/16/388289716.db2.gz WLOPUOPUHYFRHC-LBPRGKRZSA-N 1 0 212.296 2.206 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000451779992 388295417 /nfs/dbraw/zinc/29/54/17/388295417.db2.gz GHVAHYRTPXPSEN-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCC=C)c1ccc(Cl)cc1 ZINC000491497702 388299102 /nfs/dbraw/zinc/29/91/02/388299102.db2.gz ZJQBHMPGUSBCHP-LBPRGKRZSA-N 1 0 247.729 2.314 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCN(c2nccs2)CC1 ZINC000491516370 388300044 /nfs/dbraw/zinc/30/00/44/388300044.db2.gz SNTXCBXKLQQVPR-NSHDSACASA-N 1 0 249.383 2.113 20 30 BEEDRO C=C(C)CCN1CC[NH+]([C@H](C)CC)CC1 ZINC000451847757 388300775 /nfs/dbraw/zinc/30/07/75/388300775.db2.gz TUIJALWGXKASTH-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ncc(C)cc1C ZINC000491538062 388302370 /nfs/dbraw/zinc/30/23/70/388302370.db2.gz WRXWNXVMXANBKS-ZDUSSCGKSA-N 1 0 216.328 2.194 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ncc(C)cc1C ZINC000491538061 388302523 /nfs/dbraw/zinc/30/25/23/388302523.db2.gz WRXWNXVMXANBKS-CYBMUJFWSA-N 1 0 216.328 2.194 20 30 BEEDRO C=C(C)CN1CC[N@H+](CC(=C)C)CC(C)C1 ZINC000451887232 388303041 /nfs/dbraw/zinc/30/30/41/388303041.db2.gz FUVUBRAUIMJDQX-UHFFFAOYSA-N 1 0 222.376 2.392 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000491553743 388303485 /nfs/dbraw/zinc/30/34/85/388303485.db2.gz CGYMHWCFBKDAQL-NSHDSACASA-N 1 0 228.295 2.020 20 30 BEEDRO C#CC(C)(C)NC(=O)C[N@@H+](C)CCCCCC ZINC000491568009 388304189 /nfs/dbraw/zinc/30/41/89/388304189.db2.gz OJBRZKFNIAMPDE-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000491567971 388304195 /nfs/dbraw/zinc/30/41/95/388304195.db2.gz NYLOWEMXPLYWAS-ZDUSSCGKSA-N 1 0 244.294 2.407 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000491621818 388305597 /nfs/dbraw/zinc/30/55/97/388305597.db2.gz GZFUISUACPHJOT-CABCVRRESA-N 1 0 234.387 2.110 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)OC(C)(C)C)C1CC1 ZINC000491636167 388307259 /nfs/dbraw/zinc/30/72/59/388307259.db2.gz WZZAYPALGLLIOV-UHFFFAOYSA-N 1 0 237.343 2.206 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])NCCc1ccccc1 ZINC000491638052 388307390 /nfs/dbraw/zinc/30/73/90/388307390.db2.gz XRVBSUSMJPXYGT-AWEZNQCLSA-N 1 0 243.354 2.145 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000491653727 388308252 /nfs/dbraw/zinc/30/82/52/388308252.db2.gz DDWGDVCCCGMJHD-KFWWJZLASA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OCCOC)cc1 ZINC000491653168 388308270 /nfs/dbraw/zinc/30/82/70/388308270.db2.gz CPOSMKDKCCHGMK-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CCN(C)Cc1cc(-c2ccccc2)on1 ZINC000491690767 388311192 /nfs/dbraw/zinc/31/11/92/388311192.db2.gz DKMRQONLBFQVRB-UHFFFAOYSA-N 1 0 226.279 2.407 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2c[nH]nc21)C(C)C ZINC000491229288 256598682 /nfs/dbraw/zinc/59/86/82/256598682.db2.gz GNFACBSPSFQRHS-CYBMUJFWSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000491696862 388311991 /nfs/dbraw/zinc/31/19/91/388311991.db2.gz OYKQWIZCNTWZHG-JTQLQIEISA-N 1 0 213.284 2.016 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1COC(C)(C)C1)C(C)(C)C ZINC000491706869 388313264 /nfs/dbraw/zinc/31/32/64/388313264.db2.gz KVFRWMIVKOUJNQ-GHMZBOCLSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000491713430 388314110 /nfs/dbraw/zinc/31/41/10/388314110.db2.gz CKMMDKFEHUUASV-LLVKDONJSA-N 1 0 231.295 2.065 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc2cccc(C)n12 ZINC000491716408 388314333 /nfs/dbraw/zinc/31/43/33/388314333.db2.gz NFPRXCVUDUJSGG-LBPRGKRZSA-N 1 0 227.311 2.144 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])NCCc1cccs1 ZINC000491732160 388315777 /nfs/dbraw/zinc/31/57/77/388315777.db2.gz HFGOMTFWGJSWPT-LLVKDONJSA-N 1 0 249.383 2.206 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(F)c1 ZINC000491751182 388317999 /nfs/dbraw/zinc/31/79/99/388317999.db2.gz XMUJVSBMNSUJGU-SNVBAGLBSA-N 1 0 221.275 2.288 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000491755212 388318138 /nfs/dbraw/zinc/31/81/38/388318138.db2.gz YYQQCKGCYMFLAZ-CPCZMJQVSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(O)CCC(C)CC1)C(C)C ZINC000491775733 388319512 /nfs/dbraw/zinc/31/95/12/388319512.db2.gz VLQSOGRJRWHDQS-ROKHWSDSSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOCCOc1ccccc1 ZINC000491776590 388319793 /nfs/dbraw/zinc/31/97/93/388319793.db2.gz WHLFPBWABZSUIN-CQSZACIVSA-N 1 0 247.338 2.036 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ccccc1F ZINC000491781094 388320539 /nfs/dbraw/zinc/32/05/39/388320539.db2.gz FUIZHBPQSJOGFA-NSHDSACASA-N 1 0 205.276 2.322 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C1CC1 ZINC000491783307 388320658 /nfs/dbraw/zinc/32/06/58/388320658.db2.gz JNLQHOAYRXGBGN-CQSZACIVSA-N 1 0 249.741 2.471 20 30 BEEDRO C#CC[N@@H+](CCn1nc(C)cc1C)C1CCCC1 ZINC000491783499 388320708 /nfs/dbraw/zinc/32/07/08/388320708.db2.gz JTTBXIUYINLQIM-UHFFFAOYSA-N 1 0 245.370 2.378 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCOc1cccc(OC)c1 ZINC000491788063 388321196 /nfs/dbraw/zinc/32/11/96/388321196.db2.gz RVOYLDBDENDIBY-GFCCVEGCSA-N 1 0 233.311 2.028 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CC1(COC)CCC1 ZINC000491811500 388322582 /nfs/dbraw/zinc/32/25/82/388322582.db2.gz LXFIPYMBVACEEF-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2cccc(C)n12)C(C)C ZINC000491817995 388323399 /nfs/dbraw/zinc/32/33/99/388323399.db2.gz WPZGEOYCUFGRBB-CQSZACIVSA-N 1 0 241.338 2.390 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491818049 388323493 /nfs/dbraw/zinc/32/34/93/388323493.db2.gz WUQCDMHGGOXNEU-JSGCOSHPSA-N 1 0 242.322 2.479 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1OCCOC ZINC000491818532 388323503 /nfs/dbraw/zinc/32/35/03/388323503.db2.gz LOCNSNCKCOYWGQ-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000518787491 256611980 /nfs/dbraw/zinc/61/19/80/256611980.db2.gz GFOVHOPUWWDTKP-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)CC(=C)C ZINC000490986468 388263739 /nfs/dbraw/zinc/26/37/39/388263739.db2.gz SJEYTFOGHADLJF-ZIAGYGMSSA-N 1 0 249.354 2.230 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)CC(=C)C ZINC000490986466 388263837 /nfs/dbraw/zinc/26/38/37/388263837.db2.gz SJEYTFOGHADLJF-KGLIPLIRSA-N 1 0 249.354 2.230 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451360091 388265226 /nfs/dbraw/zinc/26/52/26/388265226.db2.gz KJSFJQGXSJGQJO-BARDWOONSA-N 1 0 233.355 2.333 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000491037087 388266687 /nfs/dbraw/zinc/26/66/87/388266687.db2.gz BPGDAZVDBITRFP-IUCAKERBSA-N 1 0 205.223 2.282 20 30 BEEDRO C[C@@]12C[N@H+](CCCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377880 388267827 /nfs/dbraw/zinc/26/78/27/388267827.db2.gz XMOPLQQBULJEMA-RFGFWPKPSA-N 1 0 216.328 2.434 20 30 BEEDRO N#CCSCCC[NH+]1CCC(CF)CC1 ZINC000451389468 388268854 /nfs/dbraw/zinc/26/88/54/388268854.db2.gz UADVJWNWPHCSJA-UHFFFAOYSA-N 1 0 230.352 2.315 20 30 BEEDRO C=C(CC)C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451403424 388270512 /nfs/dbraw/zinc/27/05/12/388270512.db2.gz MAKJKRPYLWPCDA-UHFFFAOYSA-N 1 0 248.374 2.405 20 30 BEEDRO C#CC[N@@H+](CCO[C@@H](C)C#N)C1CCCCC1 ZINC000491154590 388273216 /nfs/dbraw/zinc/27/32/16/388273216.db2.gz KJTJJAVBYLGFAL-ZDUSSCGKSA-N 1 0 234.343 2.183 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000491166638 388274525 /nfs/dbraw/zinc/27/45/25/388274525.db2.gz TXGZHEHXCDWORM-CYBMUJFWSA-N 1 0 223.360 2.271 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CCCSCC#N)C1(C)C ZINC000451485915 388277132 /nfs/dbraw/zinc/27/71/32/388277132.db2.gz DHXOFABXRCNIHE-MNOVXSKESA-N 1 0 242.388 2.036 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](O)c1cccc2ccccc21 ZINC000491202640 388277497 /nfs/dbraw/zinc/27/74/97/388277497.db2.gz OXOUQICXVUDGRN-INIZCTEOSA-N 1 0 239.318 2.438 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451490383 388277498 /nfs/dbraw/zinc/27/74/98/388277498.db2.gz LVOIWHNAJBQPKV-XQQFMLRXSA-N 1 0 248.370 2.473 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000491252293 388278210 /nfs/dbraw/zinc/27/82/10/388278210.db2.gz HDSCNFVFLUOYPC-ZWNOBZJWSA-N 1 0 237.730 2.327 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CSC[C@H]1C)C(C)(C)C ZINC000491252934 388280086 /nfs/dbraw/zinc/28/00/86/388280086.db2.gz KNGWCFUOILUGCW-MXWKQRLJSA-N 1 0 211.374 2.375 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC1CC1 ZINC000193488409 388359169 /nfs/dbraw/zinc/35/91/69/388359169.db2.gz CUYWEBOPEJKQFO-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+]1CCOc1ccc(C#N)cc1 ZINC000548424697 388359194 /nfs/dbraw/zinc/35/91/94/388359194.db2.gz JGQMVHVUGMXBKN-TXEJJXNPSA-N 1 0 230.311 2.420 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000459639730 388366557 /nfs/dbraw/zinc/36/65/57/388366557.db2.gz DMYPNIBQFRPULW-OKILXGFUSA-N 1 0 230.311 2.215 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056008 388375842 /nfs/dbraw/zinc/37/58/42/388375842.db2.gz ONSKPNSJVLSWDP-RYUDHWBXSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055216 388376116 /nfs/dbraw/zinc/37/61/16/388376116.db2.gz BBWWXSFRVVZFFT-SWLSCSKDSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000228041964 388376746 /nfs/dbraw/zinc/37/67/46/388376746.db2.gz AKOQBCAMRGSCRB-VXGBXAGGSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000228041936 388376861 /nfs/dbraw/zinc/37/68/61/388376861.db2.gz AKOQBCAMRGSCRB-NEPJUHHUSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000228078031 388377796 /nfs/dbraw/zinc/37/77/96/388377796.db2.gz XPCCKYVSIDXLMQ-SRVKXCTJSA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CCOC1 ZINC000163378686 388377882 /nfs/dbraw/zinc/37/78/82/388377882.db2.gz LFWVKSGDSJWBBC-JQWIXIFHSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cncnc1C ZINC000519640261 256654752 /nfs/dbraw/zinc/65/47/52/256654752.db2.gz DDOYXGKSKLRBLG-NSHDSACASA-N 1 0 235.331 2.028 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271545877 388392635 /nfs/dbraw/zinc/39/26/35/388392635.db2.gz QAYMVAOQGUFIOQ-FZMZJTMJSA-N 1 0 248.326 2.444 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164542063 388393252 /nfs/dbraw/zinc/39/32/52/388393252.db2.gz GPDUFOMISRMPQA-RISCZKNCSA-N 1 0 232.327 2.226 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164573811 388394067 /nfs/dbraw/zinc/39/40/67/388394067.db2.gz QZWITFFSAUUTTF-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](NCc2ccc(C#N)o2)C1 ZINC000175013058 388444978 /nfs/dbraw/zinc/44/49/78/388444978.db2.gz NMTULDXUELDDNO-NEPJUHHUSA-N 1 0 247.342 2.114 20 30 BEEDRO C[C@H]1CCCC[C@@]1(C)[NH2+]CCOCCC#N ZINC000308701104 388448400 /nfs/dbraw/zinc/44/84/00/388448400.db2.gz RUXYYQZYSJYFAT-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C(C)C ZINC000310316472 388480774 /nfs/dbraw/zinc/48/07/74/388480774.db2.gz SFXKVRHEKYUXJD-VWYCJHECSA-N 1 0 249.276 2.344 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000310316471 388480823 /nfs/dbraw/zinc/48/08/23/388480823.db2.gz SFXKVRHEKYUXJD-OUAUKWLOSA-N 1 0 249.276 2.344 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCC2(CCCO2)CC1 ZINC000309719178 388461965 /nfs/dbraw/zinc/46/19/65/388461965.db2.gz VHLZNWFFHDZMLT-IYXRBSQSSA-N 1 0 221.344 2.480 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CC1CCCCC1 ZINC000649223890 388462557 /nfs/dbraw/zinc/46/25/57/388462557.db2.gz VDEGOUGEKNFXSM-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193866623 388467934 /nfs/dbraw/zinc/46/79/34/388467934.db2.gz VJABKFWVJGBNGH-LLVKDONJSA-N 1 0 205.305 2.165 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](CC)CCc1ccccc1 ZINC000649248521 388468745 /nfs/dbraw/zinc/46/87/45/388468745.db2.gz ZAJOEDYKMNJEDU-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCN(C)C(=O)C[C@H](C)n1ccnc1CC ZINC000648866115 388475333 /nfs/dbraw/zinc/47/53/33/388475333.db2.gz DANHMXABCLTQMK-NSHDSACASA-N 1 0 235.331 2.041 20 30 BEEDRO CCC(CC)(CC)[NH2+]CCOCCC#N ZINC000339038232 388478436 /nfs/dbraw/zinc/47/84/36/388478436.db2.gz ALDLSUXBWSCHIZ-UHFFFAOYSA-N 1 0 212.337 2.475 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000172269096 388409048 /nfs/dbraw/zinc/40/90/48/388409048.db2.gz WINSPHLULXGWDK-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271986371 388416892 /nfs/dbraw/zinc/41/68/92/388416892.db2.gz YFBYHLVSAWDYDW-ZJUUUORDSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(C#N)c(F)c1 ZINC000271972559 388417081 /nfs/dbraw/zinc/41/70/81/388417081.db2.gz UWTZTPUDRKIWRL-SNVBAGLBSA-N 1 0 248.301 2.384 20 30 BEEDRO Cc1cc(C[NH2+]C[C@](C)(O)C(C)C)ccc1C#N ZINC000443989585 388421256 /nfs/dbraw/zinc/42/12/56/388421256.db2.gz OVKOXMBSDKFRGB-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443986648 388421329 /nfs/dbraw/zinc/42/13/29/388421329.db2.gz KZVQTQFLBSWRAD-UHFFFAOYSA-N 1 0 232.327 2.383 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H](O)C1CCC1 ZINC000316808031 388421509 /nfs/dbraw/zinc/42/15/09/388421509.db2.gz SUUZRGFXVDOPHO-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCc1cncn1C ZINC000573216957 388433155 /nfs/dbraw/zinc/43/31/55/388433155.db2.gz RZVBWFISAOUAHW-UHFFFAOYSA-N 1 0 221.348 2.251 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000528511271 388538085 /nfs/dbraw/zinc/53/80/85/388538085.db2.gz FFABYQOYRGXBGF-UONOGXRCSA-N 1 0 248.370 2.163 20 30 BEEDRO C[N@H+](C[C@@H]1CCCC[C@H]1O)CC(C)(C)C#N ZINC000517154328 388539512 /nfs/dbraw/zinc/53/95/12/388539512.db2.gz PPZKDANJPROZLG-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(C)nc1 ZINC000339416054 388482173 /nfs/dbraw/zinc/48/21/73/388482173.db2.gz KFIDCOHYWCMSHD-UHFFFAOYSA-N 1 0 219.332 2.477 20 30 BEEDRO Cc1nocc1C[NH2+]CC(C)(C)CCC#N ZINC000339400242 388482565 /nfs/dbraw/zinc/48/25/65/388482565.db2.gz NBGQEQNXQBGABB-UHFFFAOYSA-N 1 0 221.304 2.403 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000397620908 388485409 /nfs/dbraw/zinc/48/54/09/388485409.db2.gz DKVDQUHLAZLQTK-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000648907960 388488542 /nfs/dbraw/zinc/48/85/42/388488542.db2.gz MNXFSNIUPJTACP-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO COCCC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000528576557 388548586 /nfs/dbraw/zinc/54/85/86/388548586.db2.gz AKQWXUJNILZSOM-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)O ZINC000340493981 388491639 /nfs/dbraw/zinc/49/16/39/388491639.db2.gz AJQLVEHDRKPFHN-SRVKXCTJSA-N 1 0 224.348 2.208 20 30 BEEDRO CC[N@H+](Cc1ccc(CC#N)cc1)CC(C)(C)O ZINC000343552233 388501163 /nfs/dbraw/zinc/50/11/63/388501163.db2.gz NOEZAWGIFZNBBL-UHFFFAOYSA-N 1 0 246.354 2.345 20 30 BEEDRO C=CCN1CC[N@@H+](C)C2(CCCCC2)C1 ZINC000516935219 388526321 /nfs/dbraw/zinc/52/63/21/388526321.db2.gz OPFDOPIRCCYKBN-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000136314848 388530830 /nfs/dbraw/zinc/53/08/30/388530830.db2.gz DJGGYXNIZBMASU-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CC1=C(C)C[N@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528490111 388531156 /nfs/dbraw/zinc/53/11/56/388531156.db2.gz SNMJQAIWLUJZCQ-CYBMUJFWSA-N 1 0 234.343 2.083 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](OCCC)CC1 ZINC000649303430 388586271 /nfs/dbraw/zinc/58/62/71/388586271.db2.gz RQWONARUSIKHAL-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C[C@]1([NH2+]Cc2ccc(C#N)o2)CCO[C@H]1C1CC1 ZINC000273161104 388590959 /nfs/dbraw/zinc/59/09/59/388590959.db2.gz UECIAYKVFSBKGZ-KBPBESRZSA-N 1 0 246.310 2.198 20 30 BEEDRO C=C(C)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000120723598 135219795 /nfs/dbraw/zinc/21/97/95/135219795.db2.gz IQXLNOIYVHQFDC-UHFFFAOYSA-N 1 0 213.321 2.132 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCCOC1 ZINC000107064506 388599203 /nfs/dbraw/zinc/59/92/03/388599203.db2.gz ZAWMCCMXGHSWDQ-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000355767782 388604732 /nfs/dbraw/zinc/60/47/32/388604732.db2.gz NILVPCHDXSSGRK-IUODEOHRSA-N 1 0 244.338 2.463 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)COC)C1CCCC1 ZINC000187413646 388608472 /nfs/dbraw/zinc/60/84/72/388608472.db2.gz WVSMCBDCEGXRHJ-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@@H](Nc1cccc(C#N)n1)C(C)(C)C[NH+](C)C ZINC000301626151 388613847 /nfs/dbraw/zinc/61/38/47/388613847.db2.gz GRJNTNUGLWQYLW-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1CCC(C)CC1 ZINC000328160562 388558389 /nfs/dbraw/zinc/55/83/89/388558389.db2.gz HYNZUWIPJNCREK-UHFFFAOYSA-N 1 0 222.376 2.110 20 30 BEEDRO C=C(C)C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528736115 388563435 /nfs/dbraw/zinc/56/34/35/388563435.db2.gz CLTXFONZURTKJY-UHFFFAOYSA-N 1 0 229.327 2.288 20 30 BEEDRO N#CCC[N@H+](CC1CC1)CC1CCOCC1 ZINC000081044387 388566169 /nfs/dbraw/zinc/56/61/69/388566169.db2.gz CBTHTVOHUDKPQT-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000528758935 388568231 /nfs/dbraw/zinc/56/82/31/388568231.db2.gz MGGQEXZNLNCCRG-TTZDDIAXSA-N 1 0 243.350 2.440 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC(F)(F)C[C@H]1C ZINC000528767227 388570652 /nfs/dbraw/zinc/57/06/52/388570652.db2.gz MINJVRVNEBLSCY-MNOVXSKESA-N 1 0 233.302 2.433 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528767229 388570689 /nfs/dbraw/zinc/57/06/89/388570689.db2.gz MINJVRVNEBLSCY-QWRGUYRKSA-N 1 0 233.302 2.433 20 30 BEEDRO C[C@@H](Nc1ncccc1C#N)C1=CC[N@H+](C)CC1 ZINC000272935231 388572591 /nfs/dbraw/zinc/57/25/91/388572591.db2.gz LINKPTBZZLMFLA-LLVKDONJSA-N 1 0 242.326 2.016 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528790195 388573905 /nfs/dbraw/zinc/57/39/05/388573905.db2.gz VHNXMKXYRXDMMN-LBPRGKRZSA-N 1 0 233.315 2.285 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528786737 388574184 /nfs/dbraw/zinc/57/41/84/388574184.db2.gz JJVVADDONDCLLF-DVOMOZLQSA-N 1 0 241.400 2.328 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000112465895 388667032 /nfs/dbraw/zinc/66/70/32/388667032.db2.gz IKKSOIQEJXLPSQ-CQSZACIVSA-N 1 0 229.327 2.089 20 30 BEEDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccc(C#N)cc1 ZINC000112343022 388667329 /nfs/dbraw/zinc/66/73/29/388667329.db2.gz XCMWSRSZWZODBA-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000552100477 388669921 /nfs/dbraw/zinc/66/99/21/388669921.db2.gz JZYKYHKBNFSZBN-MCIONIFRSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H]1CCSCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191813825 388670072 /nfs/dbraw/zinc/67/00/72/388670072.db2.gz JZBOXNOGTSHCAO-LLVKDONJSA-N 1 0 249.383 2.224 20 30 BEEDRO COCCCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000418137292 388674871 /nfs/dbraw/zinc/67/48/71/388674871.db2.gz RIPHZNBSJPIFGO-UHFFFAOYSA-N 1 0 238.356 2.478 20 30 BEEDRO COCCCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000418132222 388675113 /nfs/dbraw/zinc/67/51/13/388675113.db2.gz JBWGURFQINMLFW-UHFFFAOYSA-N 1 0 222.288 2.010 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](CC)C1 ZINC000125732539 388675792 /nfs/dbraw/zinc/67/57/92/388675792.db2.gz RRBHTGQPCBVSKL-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](CC)C1 ZINC000125732324 388675945 /nfs/dbraw/zinc/67/59/45/388675945.db2.gz RRBHTGQPCBVSKL-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C#N)cc1 ZINC000125786028 388676291 /nfs/dbraw/zinc/67/62/91/388676291.db2.gz PAVXNRUESMBWNP-UHFFFAOYSA-N 1 0 230.311 2.241 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000077897270 388678326 /nfs/dbraw/zinc/67/83/26/388678326.db2.gz DVGZJWNCDHCZLX-AWEZNQCLSA-N 1 0 230.311 2.027 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccc(C#N)cc1 ZINC000357991382 388619042 /nfs/dbraw/zinc/61/90/42/388619042.db2.gz IVPBPOJLBDYODZ-TYNCELHUSA-N 1 0 243.354 2.159 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000521612575 388619511 /nfs/dbraw/zinc/61/95/11/388619511.db2.gz NSWOKWHCMGBLJI-XQQFMLRXSA-N 1 0 230.315 2.102 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566035 388622926 /nfs/dbraw/zinc/62/29/26/388622926.db2.gz IBGMIDXWBWENHZ-PWSUYJOCSA-N 1 0 248.301 2.384 20 30 BEEDRO CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358551370 388623470 /nfs/dbraw/zinc/62/34/70/388623470.db2.gz AWJBJXDLMCQCBE-SNVBAGLBSA-N 1 0 236.290 2.384 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000302747120 388626481 /nfs/dbraw/zinc/62/64/81/388626481.db2.gz FODXROVSNHXZQY-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](C)CF)cc1 ZINC000288461006 388627332 /nfs/dbraw/zinc/62/73/32/388627332.db2.gz NXRUMCCVKMKHDX-NSHDSACASA-N 1 0 221.275 2.146 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)CC(F)(F)F ZINC000189360470 388632217 /nfs/dbraw/zinc/63/22/17/388632217.db2.gz URCJWCMDGZPKAN-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000230162958 388634970 /nfs/dbraw/zinc/63/49/70/388634970.db2.gz RFOQBMHDTJSWMW-AWEZNQCLSA-N 1 0 230.311 2.074 20 30 BEEDRO C[N@H+]1CC=C(CNc2ccc(C#N)cc2F)CC1 ZINC000274012815 388640237 /nfs/dbraw/zinc/64/02/37/388640237.db2.gz VDIWSSPPGYEHLQ-UHFFFAOYSA-N 1 0 245.301 2.371 20 30 BEEDRO C=C(C)C[N@H+](C)CCOCC(F)(F)C(F)F ZINC000189875381 388643830 /nfs/dbraw/zinc/64/38/30/388643830.db2.gz RDLIRISDKFBNKJ-UHFFFAOYSA-N 1 0 243.244 2.411 20 30 BEEDRO C[C@@H](Nc1ccc(F)cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000111027347 388651866 /nfs/dbraw/zinc/65/18/66/388651866.db2.gz LVOYWFZNMFETME-GHMZBOCLSA-N 1 0 247.317 2.497 20 30 BEEDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)cc(C#N)n1 ZINC000308279721 388658642 /nfs/dbraw/zinc/65/86/42/388658642.db2.gz WZRQKOURWTZQFC-NEPJUHHUSA-N 1 0 244.342 2.156 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)cn2)CCS1 ZINC000516903635 388659710 /nfs/dbraw/zinc/65/97/10/388659710.db2.gz ZXEJEAYYVZFHHI-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000253295407 388660639 /nfs/dbraw/zinc/66/06/39/388660639.db2.gz QUIUZOGEFSPADT-YNEHKIRRSA-N 1 0 248.351 2.277 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNCc1cccc(C#N)c1 ZINC000075757036 388662245 /nfs/dbraw/zinc/66/22/45/388662245.db2.gz RAVNYVSOYZGNHP-CYBMUJFWSA-N 1 0 245.370 2.378 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H](O)C(C)C ZINC000414537393 388664232 /nfs/dbraw/zinc/66/42/32/388664232.db2.gz YXFHIQJNNLSBSY-CHWSQXEVSA-N 1 0 236.315 2.036 20 30 BEEDRO C[NH+](C)C[C@H]1CCCN1c1cccc(F)c1C#N ZINC000093396678 388741750 /nfs/dbraw/zinc/74/17/50/388741750.db2.gz MVDVUBJBIXOOHW-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000276896517 388742430 /nfs/dbraw/zinc/74/24/30/388742430.db2.gz IJXRDQUPGIYBBM-NXEZZACHSA-N 1 0 236.290 2.383 20 30 BEEDRO Cn1cc(C[N@@H+]2CCCC2(C)C)cc1C#N ZINC000276802475 388742748 /nfs/dbraw/zinc/74/27/48/388742748.db2.gz VYMUUBPPEWHKPE-UHFFFAOYSA-N 1 0 217.316 2.271 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)CC1(O)CCCC1 ZINC000124286821 388744774 /nfs/dbraw/zinc/74/47/74/388744774.db2.gz VVCVEBIDELXSEW-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO N#Cc1csc(CN2CCOC[C@@H]2C2CC2)c1 ZINC000093645815 388745638 /nfs/dbraw/zinc/74/56/38/388745638.db2.gz DVBRELPXONUCCY-CYBMUJFWSA-N 1 0 248.351 2.231 20 30 BEEDRO Cc1cc(C[N@@H+](C(C)C)C2COC2)ccc1C#N ZINC000449352658 388748086 /nfs/dbraw/zinc/74/80/86/388748086.db2.gz XKUNMJBEJSYRHF-UHFFFAOYSA-N 1 0 244.338 2.476 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000449550266 388750898 /nfs/dbraw/zinc/75/08/98/388750898.db2.gz AWQFNKJFEVFBKJ-ONGXEEELSA-N 1 0 235.356 2.396 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278213706 388752288 /nfs/dbraw/zinc/75/22/88/388752288.db2.gz IGUFNTQZBKLNKF-KBPBESRZSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)O)c1ccc(C#N)cc1 ZINC000278820850 388758094 /nfs/dbraw/zinc/75/80/94/388758094.db2.gz SMFCZRNHZHESSQ-ZDUSSCGKSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CCO)c1ccc(C#N)cc1 ZINC000278805579 388757984 /nfs/dbraw/zinc/75/79/84/388757984.db2.gz RNJXKKLIUZHQSK-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1cccc(C#N)c1 ZINC000423266680 388689734 /nfs/dbraw/zinc/68/97/34/388689734.db2.gz DVMLRVKNYAQSTJ-BXUZGUMPSA-N 1 0 231.343 2.192 20 30 BEEDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1cccc(C#N)c1 ZINC000423266682 388690124 /nfs/dbraw/zinc/69/01/24/388690124.db2.gz DVMLRVKNYAQSTJ-RISCZKNCSA-N 1 0 231.343 2.192 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000423389527 388693117 /nfs/dbraw/zinc/69/31/17/388693117.db2.gz VCLMUAOIBSIPPZ-GHMZBOCLSA-N 1 0 249.333 2.346 20 30 BEEDRO C[C@H]([NH2+]CCN1CCCC1)c1ccc(C#N)cc1 ZINC000020126821 388755728 /nfs/dbraw/zinc/75/57/28/388755728.db2.gz LBEUNTSVXNECHU-ZDUSSCGKSA-N 1 0 243.354 2.305 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000126328818 388693742 /nfs/dbraw/zinc/69/37/42/388693742.db2.gz AUJAQEPLCOITSD-NWDGAFQWSA-N 1 0 247.404 2.144 20 30 BEEDRO CCCC[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000370731481 388693846 /nfs/dbraw/zinc/69/38/46/388693846.db2.gz XEKLWIRMIINATG-ZDUSSCGKSA-N 1 0 245.326 2.206 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000527804618 388701180 /nfs/dbraw/zinc/70/11/80/388701180.db2.gz QPWRBIHDLBTSTB-UUIJZJDISA-N 1 0 244.338 2.460 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000527803861 388701310 /nfs/dbraw/zinc/70/13/10/388701310.db2.gz KZFHHMGBEVNHMR-OHTBPHCPSA-N 1 0 244.338 2.460 20 30 BEEDRO C[C@H]([NH2+]CC12CC(C1)CO2)c1cccc(C#N)c1 ZINC000527985041 388702049 /nfs/dbraw/zinc/70/20/49/388702049.db2.gz XCTJUDCYQLHGBR-ZOODHJKOSA-N 1 0 242.322 2.388 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249031027 388704577 /nfs/dbraw/zinc/70/45/77/388704577.db2.gz RCSOSRGGVHQYNT-XQQFMLRXSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](O)C[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425539789 388706168 /nfs/dbraw/zinc/70/61/68/388706168.db2.gz UQSWFPQOGRQXDE-FZMZJTMJSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000425532069 388706860 /nfs/dbraw/zinc/70/68/60/388706860.db2.gz IJEVNGUDYIPYSK-CORIIIEPSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)C1CC1 ZINC000249101981 388709480 /nfs/dbraw/zinc/70/94/80/388709480.db2.gz PSKMMEWPESIKMS-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC1(CO)CC1 ZINC000193573131 388709601 /nfs/dbraw/zinc/70/96/01/388709601.db2.gz PRDSJERGMODXOW-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000080524592 388711417 /nfs/dbraw/zinc/71/14/17/388711417.db2.gz OCUZABZPVYZIHJ-CQSZACIVSA-N 1 0 246.354 2.447 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000081711862 388721769 /nfs/dbraw/zinc/72/17/69/388721769.db2.gz LFWVTRQWPSLTMS-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)C(C)C ZINC000194088215 388722351 /nfs/dbraw/zinc/72/23/51/388722351.db2.gz PTLXDWOMDIEULG-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO CCC[N@H+](C)Cc1cccc(C(=O)OC)c1C#N ZINC000534432748 388727030 /nfs/dbraw/zinc/72/70/30/388727030.db2.gz GEVLBMOVGSRCER-UHFFFAOYSA-N 1 0 246.310 2.187 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000070357204 388730227 /nfs/dbraw/zinc/73/02/27/388730227.db2.gz HIPLWRKSIZJZII-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000229529711 388793736 /nfs/dbraw/zinc/79/37/36/388793736.db2.gz LTFWXESYZDDNRB-GHMZBOCLSA-N 1 0 205.276 2.368 20 30 BEEDRO COCC[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229696683 388798335 /nfs/dbraw/zinc/79/83/35/388798335.db2.gz AKFCKGZIVFPIMD-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](CC)C1CCOCC1 ZINC000540155576 388798414 /nfs/dbraw/zinc/79/84/14/388798414.db2.gz FNBGFRSPCWFMEY-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000229896516 388803429 /nfs/dbraw/zinc/80/34/29/388803429.db2.gz ZKLFKOSWFNFKCS-JHJVBQTASA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1nc2ccccc2n1C ZINC000229887559 388803500 /nfs/dbraw/zinc/80/35/00/388803500.db2.gz MPDZFIGZNWDSRF-NSHDSACASA-N 1 0 227.311 2.075 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)nc2ccccn21 ZINC000229890744 388803857 /nfs/dbraw/zinc/80/38/57/388803857.db2.gz ZQUOUDUNCMBAEH-LBPRGKRZSA-N 1 0 227.311 2.144 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc(CC)s1 ZINC000229900700 388805102 /nfs/dbraw/zinc/80/51/02/388805102.db2.gz MAYSFJJSZUHSAW-SECBINFHSA-N 1 0 208.330 2.207 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000229968456 388807889 /nfs/dbraw/zinc/80/78/89/388807889.db2.gz HESBTCHGLGWMTB-CYBMUJFWSA-N 1 0 228.295 2.068 20 30 BEEDRO C=CC1CC[NH+](Cc2cnoc2C)CC1 ZINC000128605691 388776015 /nfs/dbraw/zinc/77/60/15/388776015.db2.gz PTBMQZXLOIUQNX-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000280550480 388783015 /nfs/dbraw/zinc/78/30/15/388783015.db2.gz JYVZVKIMKUQKLB-CYBMUJFWSA-N 1 0 234.299 2.152 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC1CCC1 ZINC000648745316 388786249 /nfs/dbraw/zinc/78/62/49/388786249.db2.gz JELZAAJBNIUODQ-RTXFEEFZSA-N 1 0 209.333 2.498 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000126366545 388823805 /nfs/dbraw/zinc/82/38/05/388823805.db2.gz GMHNMUGEJXLNPZ-AWEZNQCLSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000554724982 388828517 /nfs/dbraw/zinc/82/85/17/388828517.db2.gz GMUOBYPZCUVQOG-CFVMTHIKSA-N 1 0 234.387 2.415 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129345154 388834025 /nfs/dbraw/zinc/83/40/25/388834025.db2.gz QTRRZGYYUOGORG-CHWSQXEVSA-N 1 0 242.432 2.226 20 30 BEEDRO C[C@@H](O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000225781176 388844920 /nfs/dbraw/zinc/84/49/20/388844920.db2.gz OCAOGXGYUMECMV-GFCCVEGCSA-N 1 0 244.338 2.151 20 30 BEEDRO CC(=O)Nc1ccc(CNCC2(C#N)CC2)cc1 ZINC000555708612 388860125 /nfs/dbraw/zinc/86/01/25/388860125.db2.gz OFWAVXVCBXQQDT-UHFFFAOYSA-N 1 0 243.310 2.038 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(O)Cc2ccccc2C1 ZINC000541733547 388865811 /nfs/dbraw/zinc/86/58/11/388865811.db2.gz HDDLHIDGAHEEPM-ZDUSSCGKSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCOCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000555377792 388849245 /nfs/dbraw/zinc/84/92/45/388849245.db2.gz XKCQGAWTFXMAQK-AWEZNQCLSA-N 1 0 249.354 2.072 20 30 BEEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNCCC#N)C1 ZINC000564853291 388894077 /nfs/dbraw/zinc/89/40/77/388894077.db2.gz ASIXRBCHAVUOHS-ZDUSSCGKSA-N 1 0 237.391 2.390 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H](C)COCC)CC1 ZINC000153020310 388918918 /nfs/dbraw/zinc/91/89/18/388918918.db2.gz KGMUYYATISMYSO-CYBMUJFWSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCCCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000565197100 388924594 /nfs/dbraw/zinc/92/45/94/388924594.db2.gz XPNBSFKAEKPTCP-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CCOC)CC1 ZINC000153035991 388933960 /nfs/dbraw/zinc/93/39/60/388933960.db2.gz BFFFANZFWLPURZ-ZDUSSCGKSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000305678745 388951471 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132239515 /nfs/dbraw/zinc/23/95/15/132239515.db2.gz VYWZUGTWVNKKDR-SNVBAGLBSA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@@H]([NH3+])C1CCN(c2cccc(F)c2C#N)CC1 ZINC000110651886 132268224 /nfs/dbraw/zinc/26/82/24/132268224.db2.gz SKZMDWRUZJZESY-SNVBAGLBSA-N 1 0 247.317 2.261 20 30 BEEDRO C=CC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273606968 132306106 /nfs/dbraw/zinc/30/61/06/132306106.db2.gz SKPONSCZIMKHHQ-UHFFFAOYSA-N 1 0 216.328 2.303 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000055079958 132365255 /nfs/dbraw/zinc/36/52/55/132365255.db2.gz FDYVXCUEHWWKFH-ZDUSSCGKSA-N 1 0 243.354 2.479 20 30 BEEDRO C=CCC[NH+]1CCC2(CCOCC2)CC1 ZINC000334361378 133624899 /nfs/dbraw/zinc/62/48/99/133624899.db2.gz IVLATYSPDSMYQN-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](Cn1cccn1)C(C)C ZINC000296753685 133671417 /nfs/dbraw/zinc/67/14/17/133671417.db2.gz JVTDCBIUAGGWKG-QWHCGFSZSA-N 1 0 221.348 2.462 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335104983 133774781 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/nfs/dbraw/zinc/02/94/45/134029445.db2.gz PSYZWQQPKWZBOH-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000336012119 134051910 /nfs/dbraw/zinc/05/19/10/134051910.db2.gz OHLHPRKQKCVEIU-GFCCVEGCSA-N 1 0 242.326 2.450 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(C#N)s1 ZINC000336086376 134076330 /nfs/dbraw/zinc/07/63/30/134076330.db2.gz UHNXEMIFZDBDGG-QWRGUYRKSA-N 1 0 249.383 2.144 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H]2CO)ccc1C#N ZINC000336098040 134080832 /nfs/dbraw/zinc/08/08/32/134080832.db2.gz QZPSBHPGNHPGTL-XHDPSFHLSA-N 1 0 244.338 2.069 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000333449580 134109378 /nfs/dbraw/zinc/10/93/78/134109378.db2.gz LNZCKZKYDOFTAV-JLLWLGSASA-N 1 0 230.315 2.069 20 30 BEEDRO Cn1ccnc1[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000333467398 134110085 /nfs/dbraw/zinc/11/00/85/134110085.db2.gz HRGAIQWCGVDRFD-UHTWSYAYSA-N 1 0 244.342 2.153 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000352409283 134144112 /nfs/dbraw/zinc/14/41/12/134144112.db2.gz IYPXYPLXZWMZBY-AWEZNQCLSA-N 1 0 249.358 2.031 20 30 BEEDRO Cc1cc(N(C)CC(C)(C)C#N)cc[nH+]1 ZINC000336363688 134144827 /nfs/dbraw/zinc/14/48/27/134144827.db2.gz QNZVBXZYJDHZEQ-UHFFFAOYSA-N 1 0 203.289 2.376 20 30 BEEDRO CCSCC[NH+]1CCC(F)(C#N)CC1 ZINC000352448900 134145512 /nfs/dbraw/zinc/14/55/12/134145512.db2.gz JTLIQXSSSWCVRG-UHFFFAOYSA-N 1 0 216.325 2.067 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 ZINC000352612015 134149130 /nfs/dbraw/zinc/14/91/30/134149130.db2.gz LYJGDARYYOQAAT-UPJWGTAASA-N 1 0 236.359 2.426 20 30 BEEDRO CC[N@H+](CCC#N)C[C@@H]1CCO[C@@H](C)C1 ZINC000352692305 134151072 /nfs/dbraw/zinc/15/10/72/134151072.db2.gz OIZLUQUZKSFLBE-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CCC(C)(C)C#N ZINC000336628465 134152230 /nfs/dbraw/zinc/15/22/30/134152230.db2.gz ZNQDLRZCVCQIEA-QWRGUYRKSA-N 1 0 224.348 2.160 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000334154745 134154710 /nfs/dbraw/zinc/15/47/10/134154710.db2.gz SJGJJJSRMYYZPC-CYBMUJFWSA-N 1 0 200.285 2.242 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352889332 134157141 /nfs/dbraw/zinc/15/71/41/134157141.db2.gz YBEJHJJFSROCDR-YWPYICTPSA-N 1 0 229.389 2.184 20 30 BEEDRO CC(C)(C)[C@H]1CC[N@H+](CCCCC#N)C[C@@H]1O ZINC000352996291 134158938 /nfs/dbraw/zinc/15/89/38/134158938.db2.gz FRILZCLXYKJPDN-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])NCC2CCC2)s1 ZINC000104162243 134159270 /nfs/dbraw/zinc/15/92/70/134159270.db2.gz ZKUXIDYUJKEFPL-UHFFFAOYSA-N 1 0 237.372 2.261 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC1([NH+](C)C)CCC1 ZINC000353309493 134163080 /nfs/dbraw/zinc/16/30/80/134163080.db2.gz CYRIDDOMVFTXGV-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C[C@H]1COCC[N@@H+]1CCCC#N ZINC000113941131 134163920 /nfs/dbraw/zinc/16/39/20/134163920.db2.gz CDLGDJGQQIZRAI-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccc(C(=O)NC)c1 ZINC000113997511 134164525 /nfs/dbraw/zinc/16/45/25/134164525.db2.gz OIUWQTKZPMSHGI-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3cc[nH]c3n2)C1 ZINC000353641410 134164550 /nfs/dbraw/zinc/16/45/50/134164550.db2.gz JBLOXSCMUUINER-CMPLNLGQSA-N 1 0 240.310 2.345 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3cc[nH]c3n2)C1 ZINC000353641411 134164752 /nfs/dbraw/zinc/16/47/52/134164752.db2.gz JBLOXSCMUUINER-JQWIXIFHSA-N 1 0 240.310 2.345 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C(=O)NCC)C(C)C ZINC000354067731 134166396 /nfs/dbraw/zinc/16/63/96/134166396.db2.gz FOVBTHWAVKLKRW-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000354789313 134169851 /nfs/dbraw/zinc/16/98/51/134169851.db2.gz LMRULCCLJOMBMT-OLZOCXBDSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CC[N@@H+](C)CCc1ccccc1OC ZINC000355354434 134172888 /nfs/dbraw/zinc/17/28/88/134172888.db2.gz KSQWHRZKLQOJCQ-UHFFFAOYSA-N 1 0 205.301 2.356 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000355418247 134173209 /nfs/dbraw/zinc/17/32/09/134173209.db2.gz KXLKWNSDVNIRST-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CCN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000357698773 134184945 /nfs/dbraw/zinc/18/49/45/134184945.db2.gz KNUBWBCPQKKWFB-HNNXBMFYSA-N 1 0 242.366 2.216 20 30 BEEDRO CC#CCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000357661694 134185002 /nfs/dbraw/zinc/18/50/02/134185002.db2.gz HRWGHXRHFKILHG-UHFFFAOYSA-N 1 0 242.366 2.136 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C1CCC(C(N)=O)CC1 ZINC000358160974 134187024 /nfs/dbraw/zinc/18/70/24/134187024.db2.gz QLAAKIBUPUOOEC-OTTFEQOBSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000358238181 134187284 /nfs/dbraw/zinc/18/72/84/134187284.db2.gz MIVTZOFJRFMLRG-XQQFMLRXSA-N 1 0 238.375 2.236 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000358301696 134187573 /nfs/dbraw/zinc/18/75/73/134187573.db2.gz QWVJWGSDZOCYKJ-VXGBXAGGSA-N 1 0 247.342 2.303 20 30 BEEDRO C=C(C)COCC[NH2+]CC1(CC)CCOCC1 ZINC000358482207 134188812 /nfs/dbraw/zinc/18/88/12/134188812.db2.gz KBQOCALOMPHOHK-UHFFFAOYSA-N 1 0 241.375 2.376 20 30 BEEDRO CCc1ccc([C@H](CO)[NH2+]CCCC#N)cc1 ZINC000359625890 134196191 /nfs/dbraw/zinc/19/61/91/134196191.db2.gz PPUZNABXUCCVER-AWEZNQCLSA-N 1 0 232.327 2.176 20 30 BEEDRO CC#CCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000360967548 134202703 /nfs/dbraw/zinc/20/27/03/134202703.db2.gz ALAXJOVJLVOEKR-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CC)CC1CCC1 ZINC000361483907 134205883 /nfs/dbraw/zinc/20/58/83/134205883.db2.gz GQRPFNOFRLKHGD-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000361742630 134207530 /nfs/dbraw/zinc/20/75/30/134207530.db2.gz GUDPLYVEHNIFDO-QWHCGFSZSA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@H]1CCC[N@H+](CC#Cc2ccccc2)[C@@H]1CO ZINC000361861514 134207935 /nfs/dbraw/zinc/20/79/35/134207935.db2.gz CBODHZZBOSKRBT-GOEBONIOSA-N 1 0 243.350 2.131 20 30 BEEDRO CC#CC[N@@H+]1CCc2ccc(C(C)=O)cc2CC1 ZINC000362131050 134208968 /nfs/dbraw/zinc/20/89/68/134208968.db2.gz OTMOBRFCOOAOSL-UHFFFAOYSA-N 1 0 241.334 2.313 20 30 BEEDRO CC#CCCCC(=O)NCCC[NH+](CC)CC ZINC000362275750 134209537 /nfs/dbraw/zinc/20/95/37/134209537.db2.gz AQIHGICJQYVUEJ-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](CC)CC1 ZINC000362299330 134209551 /nfs/dbraw/zinc/20/95/51/134209551.db2.gz GXMCIZRCQWMSNC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCCCC#N ZINC000367572953 134215846 /nfs/dbraw/zinc/21/58/46/134215846.db2.gz GNDDYBUVPQAQOZ-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000368058998 134217253 /nfs/dbraw/zinc/21/72/53/134217253.db2.gz BBGVLDJDJFFERF-KGLIPLIRSA-N 1 0 234.318 2.347 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000368457153 134218847 /nfs/dbraw/zinc/21/88/47/134218847.db2.gz HABRCQURSYSPOH-XQQFMLRXSA-N 1 0 246.354 2.227 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000368800621 134220200 /nfs/dbraw/zinc/22/02/00/134220200.db2.gz QBHIISRDJFEBTN-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1 ZINC000369865659 134223469 /nfs/dbraw/zinc/22/34/69/134223469.db2.gz SYLWMTOAKCYUFP-CQSZACIVSA-N 1 0 217.287 2.422 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000370495133 134225967 /nfs/dbraw/zinc/22/59/67/134225967.db2.gz QPHBRHUYQSHWAV-OLZOCXBDSA-N 1 0 235.327 2.396 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000370495135 134226090 /nfs/dbraw/zinc/22/60/90/134226090.db2.gz QPHBRHUYQSHWAV-STQMWFEESA-N 1 0 235.327 2.396 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1 ZINC000371204829 134227776 /nfs/dbraw/zinc/22/77/76/134227776.db2.gz KKXKNLMEPRNPJF-INIZCTEOSA-N 1 0 241.334 2.184 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1(C)C ZINC000300654917 134229258 /nfs/dbraw/zinc/22/92/58/134229258.db2.gz TYXYHUMILXSGQN-CABCVRRESA-N 1 0 243.350 2.441 20 30 BEEDRO CC[N@@H+](CCC#N)CCCCn1ccnc1C ZINC000120417658 134229347 /nfs/dbraw/zinc/22/93/47/134229347.db2.gz VGMXOMOZRDECLT-UHFFFAOYSA-N 1 0 234.347 2.207 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](CC)CCO)C1CC1 ZINC000121310323 134233374 /nfs/dbraw/zinc/23/33/74/134233374.db2.gz XVSZIJFAGGXUSI-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000373290889 134233978 /nfs/dbraw/zinc/23/39/78/134233978.db2.gz XJRXVJQYZPFLRJ-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC#N)C[C@@H](C2CC2)O1 ZINC000373401683 134234326 /nfs/dbraw/zinc/23/43/26/134234326.db2.gz AOCCCRBXPNAQEP-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374012774 134235043 /nfs/dbraw/zinc/23/50/43/134235043.db2.gz GBSAYFUJNDRZOT-RDBSUJKOSA-N 1 0 239.359 2.221 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374168759 134235895 /nfs/dbraw/zinc/23/58/95/134235895.db2.gz ASUMHWZRIFCDHM-BYNSBNAKSA-N 1 0 235.371 2.271 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374158304 134236143 /nfs/dbraw/zinc/23/61/43/134236143.db2.gz CDWKDLSZPFABRS-XQLPTFJDSA-N 1 0 235.371 2.271 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000375171163 134238544 /nfs/dbraw/zinc/23/85/44/134238544.db2.gz MWAIPYRELFUXFI-ZDUSSCGKSA-N 1 0 231.343 2.013 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000305081669 134239475 /nfs/dbraw/zinc/23/94/75/134239475.db2.gz MPABYQKNUFUIQF-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)C[NH+]1CCC(OCCCOC)CC1 ZINC000122519106 134239493 /nfs/dbraw/zinc/23/94/93/134239493.db2.gz FEISMSWIMJFWHW-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[NH+]1CCC(OCCCOC)CC1 ZINC000122565827 134239561 /nfs/dbraw/zinc/23/95/61/134239561.db2.gz IPZPXJXWXCNFPR-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](CC)C1 ZINC000305073616 134239800 /nfs/dbraw/zinc/23/98/00/134239800.db2.gz KFEBBWQOWISMAQ-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)COc1cccc(C)c1 ZINC000305841006 134243033 /nfs/dbraw/zinc/24/30/33/134243033.db2.gz ZERSCSZGZLNPKB-CQSZACIVSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000378642459 134246541 /nfs/dbraw/zinc/24/65/41/134246541.db2.gz OVFRONRAXKPTOH-AWEZNQCLSA-N 1 0 227.311 2.285 20 30 BEEDRO CC#CC[N@@H+](CC)C[C@H]1COc2ccccc2O1 ZINC000172719149 134268932 /nfs/dbraw/zinc/26/89/32/134268932.db2.gz HDTORWIKDKSYQC-ZDUSSCGKSA-N 1 0 245.322 2.172 20 30 BEEDRO C#CC[N@@H+]1CCSC2(CCCCC2)C1 ZINC000175969674 134289623 /nfs/dbraw/zinc/28/96/23/134289623.db2.gz BTOLOPPFIBONFK-UHFFFAOYSA-N 1 0 209.358 2.371 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)[C@@H]1C ZINC000177067606 134297344 /nfs/dbraw/zinc/29/73/44/134297344.db2.gz YSXCXOWTTVRERF-UTUOFQBUSA-N 1 0 205.305 2.160 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000219917730 134297395 /nfs/dbraw/zinc/29/73/95/134297395.db2.gz QSBRSYARFFNHDT-GXSJLCMTSA-N 1 0 236.340 2.277 20 30 BEEDRO COC[C@@H](C)[N@H+](C)CC(C)(C)CCC#N ZINC000179374161 134316466 /nfs/dbraw/zinc/31/64/66/134316466.db2.gz ILVQWXAHUNEHQA-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1C ZINC000221125136 134317364 /nfs/dbraw/zinc/31/73/64/134317364.db2.gz OUFJCJGTNDNHOD-SWLSCSKDSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@@]1([NH2+]Cc2ccc(C#N)s2)CCCOC1 ZINC000221336354 134320130 /nfs/dbraw/zinc/32/01/30/134320130.db2.gz ILHXVTJANGWTFP-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000181801147 134340026 /nfs/dbraw/zinc/34/00/26/134340026.db2.gz WBHZFNXPWSYKHA-NWDGAFQWSA-N 1 0 220.316 2.059 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000223522162 134340526 /nfs/dbraw/zinc/34/05/26/134340526.db2.gz REMHPSYIRBUTJV-UHFFFAOYSA-N 1 0 204.248 2.292 20 30 BEEDRO Cc1nccn1-c1ccc([C@H](C)NCC#N)cc1 ZINC000183157011 134348770 /nfs/dbraw/zinc/34/87/70/134348770.db2.gz IGDVHFQEDXZHKR-NSHDSACASA-N 1 0 240.310 2.355 20 30 BEEDRO C=C(C)CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000183056106 134350885 /nfs/dbraw/zinc/35/08/85/134350885.db2.gz BTARBSPIBFRRAF-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)cc(C)c1 ZINC000184262086 134361172 /nfs/dbraw/zinc/36/11/72/134361172.db2.gz NLGSDTJCRKJDOP-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000184452128 134361346 /nfs/dbraw/zinc/36/13/46/134361346.db2.gz LAFQWEGABVLOEL-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000184945982 134371410 /nfs/dbraw/zinc/37/14/10/134371410.db2.gz AYPAMWPNXCDRJG-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO COCCCC[NH+]1CCC(C)(C#N)CC1 ZINC000227351946 134378788 /nfs/dbraw/zinc/37/87/88/134378788.db2.gz PNBGBVWTMFQTCC-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC(C)OCC[NH+]1CCC(C)(C#N)CC1 ZINC000227351281 134378934 /nfs/dbraw/zinc/37/89/34/134378934.db2.gz YQOLUTAZQKAYHT-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H]1COc2ccccc21 ZINC000185599495 134382537 /nfs/dbraw/zinc/38/25/37/134382537.db2.gz CFYDZZLZKLRCIJ-CMPLNLGQSA-N 1 0 203.285 2.327 20 30 BEEDRO COCCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185860187 134397619 /nfs/dbraw/zinc/39/76/19/134397619.db2.gz KKDAPJZWXWIAKW-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000185858215 134397753 /nfs/dbraw/zinc/39/77/53/134397753.db2.gz BSYGIDSZQKVPKG-MBNYWOFBSA-N 1 0 236.359 2.473 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000304093803 134397811 /nfs/dbraw/zinc/39/78/11/134397811.db2.gz BYTMYFXOCNKFRF-LBPRGKRZSA-N 1 0 247.342 2.215 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)[C@@H]1CCCOC1 ZINC000309417875 134403986 /nfs/dbraw/zinc/40/39/86/134403986.db2.gz JMMIRHKFVPANFP-VXGBXAGGSA-N 1 0 242.388 2.038 20 30 BEEDRO CO[C@](C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309521636 134445329 /nfs/dbraw/zinc/44/53/29/134445329.db2.gz AOGAEXCOKUPJOG-WCFLWFBJSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCSCC[NH2+]CCC(C)(C)C(=O)OC ZINC000309592209 134468847 /nfs/dbraw/zinc/46/88/47/134468847.db2.gz VCABLVOJLXVLOF-UHFFFAOYSA-N 1 0 245.388 2.085 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc(C#N)c1 ZINC000230154472 134484427 /nfs/dbraw/zinc/48/44/27/134484427.db2.gz WXKHOKJWPCQHTM-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO CCN(CCC[NH+](C)C)c1cc(C#N)cc(C)n1 ZINC000230713534 134534106 /nfs/dbraw/zinc/53/41/06/134534106.db2.gz JDXGHQITDKJKTP-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO CCOC[C@H]([NH2+]CCCCC#N)C(C)C ZINC000233771933 134568214 /nfs/dbraw/zinc/56/82/14/134568214.db2.gz WFRRAIBUPCUXJU-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000309582047 134598717 /nfs/dbraw/zinc/59/87/17/134598717.db2.gz QQJNDNSGYUDJTR-AGIUHOORSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2C ZINC000309720987 134599143 /nfs/dbraw/zinc/59/91/43/134599143.db2.gz VZJZUYKKGGXTOF-BXUZGUMPSA-N 1 0 217.312 2.119 20 30 BEEDRO C=CCC[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339727611 134606853 /nfs/dbraw/zinc/60/68/53/134606853.db2.gz BYDQVBMVMMYYAD-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO CC#CCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000125486363 134608119 /nfs/dbraw/zinc/60/81/19/134608119.db2.gz SMYCBRPAIOXTFM-GFCCVEGCSA-N 1 0 217.312 2.326 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000125530083 134608754 /nfs/dbraw/zinc/60/87/54/134608754.db2.gz QASALVPRYNKEKT-OLZOCXBDSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000128473825 134611585 /nfs/dbraw/zinc/61/15/85/134611585.db2.gz IHEOABDDXYHRDO-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCSCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000129362143 134612425 /nfs/dbraw/zinc/61/24/25/134612425.db2.gz QANATAYYOPHLJW-NEPJUHHUSA-N 1 0 229.389 2.310 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000134549251 134714190 /nfs/dbraw/zinc/71/41/90/134714190.db2.gz UMDVHGCITJHXJH-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000135011795 134730036 /nfs/dbraw/zinc/73/00/36/134730036.db2.gz HWQXHTSSCPQMAA-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](CO)SC ZINC000228612804 134749034 /nfs/dbraw/zinc/74/90/34/134749034.db2.gz ZCOLKLPTABTZIM-DCAQKATOSA-N 1 0 217.378 2.043 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000228852505 134759482 /nfs/dbraw/zinc/75/94/82/134759482.db2.gz UBIBDSCPECGUQX-QJPTWQEYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000159189523 134761401 /nfs/dbraw/zinc/76/14/01/134761401.db2.gz NSIJUKDRLXYACZ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000194102519 134820446 /nfs/dbraw/zinc/82/04/46/134820446.db2.gz KSONQBUXLRIFCJ-FDYHWXHSSA-N 1 0 221.344 2.498 20 30 BEEDRO COCCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000170913785 134879691 /nfs/dbraw/zinc/87/96/91/134879691.db2.gz XSSIIUCLRGIOQA-UHFFFAOYSA-N 1 0 249.358 2.457 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)N[C@@H](C)C(C)C ZINC000171616250 134883258 /nfs/dbraw/zinc/88/32/58/134883258.db2.gz URFRMEBORYEAIO-NSHDSACASA-N 1 0 237.347 2.379 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CCn1cccn1 ZINC000174857473 134897509 /nfs/dbraw/zinc/89/75/09/134897509.db2.gz ZQLCLUAUEBXXAC-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCCCS(C)(=O)=O ZINC000336733695 134916782 /nfs/dbraw/zinc/91/67/82/134916782.db2.gz GQBRFFPYEJQAKO-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO CN(C(=[NH2+])NCC1(c2ccccc2)CC1)C1CC1 ZINC000181461392 134917315 /nfs/dbraw/zinc/91/73/15/134917315.db2.gz OBYUXKCSGPRGKQ-UHFFFAOYSA-N 1 0 243.354 2.127 20 30 BEEDRO COCCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336747518 134927990 /nfs/dbraw/zinc/92/79/90/134927990.db2.gz BYBJPSQDJAXFAR-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+]CCCCC#N ZINC000336760551 134938995 /nfs/dbraw/zinc/93/89/95/134938995.db2.gz JWGHXYOJINFVIM-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](CCCC)C2CC2)C1=O ZINC000337139300 135002008 /nfs/dbraw/zinc/00/20/08/135002008.db2.gz RYCVZTVCWDHJEC-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000248521503 135002518 /nfs/dbraw/zinc/00/25/18/135002518.db2.gz BNQIJXNJBTVZRD-TYNCELHUSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000248521501 135003135 /nfs/dbraw/zinc/00/31/35/135003135.db2.gz BNQIJXNJBTVZRD-SLEUVZQESA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](CC)C[C@@H](C)CC)C1=O ZINC000337200458 135005655 /nfs/dbraw/zinc/00/56/55/135005655.db2.gz ZSAZZEGQAQRBGB-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO N#CC1CC[NH+](Cc2cccs2)CC1 ZINC000070663909 135007111 /nfs/dbraw/zinc/00/71/11/135007111.db2.gz MZFXDFBNVILBRK-UHFFFAOYSA-N 1 0 206.314 2.484 20 30 BEEDRO Cn1ccnc1[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000365661528 135007609 /nfs/dbraw/zinc/00/76/09/135007609.db2.gz HJENYEVPBHSKEL-CYBMUJFWSA-N 1 0 246.358 2.293 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225.332 2.084 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000248572816 135020100 /nfs/dbraw/zinc/02/01/00/135020100.db2.gz RRWCKGPTPNRNJR-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C1 ZINC000248822544 135022887 /nfs/dbraw/zinc/02/28/87/135022887.db2.gz LMOYSCOSIQFAAI-ZOBORPQBSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000248839075 135023017 /nfs/dbraw/zinc/02/30/17/135023017.db2.gz NMKXFQJXXWCGPX-JHJVBQTASA-N 1 0 241.375 2.105 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C1 ZINC000248822536 135023053 /nfs/dbraw/zinc/02/30/53/135023053.db2.gz LMOYSCOSIQFAAI-RFGFWPKPSA-N 1 0 236.359 2.209 20 30 BEEDRO CCCCCCCCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248848131 135023553 /nfs/dbraw/zinc/02/35/53/135023553.db2.gz NSLIQUOYBFSZTG-UONOGXRCSA-N 1 0 243.391 2.165 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000248885893 135025431 /nfs/dbraw/zinc/02/54/31/135025431.db2.gz 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C[N@H+](CCc1ccccn1)[C@H]1CC[C@@H](C#N)C1 ZINC000339054983 135054528 /nfs/dbraw/zinc/05/45/28/135054528.db2.gz YLLIXPHYVUUPKS-OCCSQVGLSA-N 1 0 229.327 2.248 20 30 BEEDRO CCC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000339059143 135056348 /nfs/dbraw/zinc/05/63/48/135056348.db2.gz NSRPDZCXEVYTFC-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(CCCO)CC2)C1 ZINC000339081956 135056676 /nfs/dbraw/zinc/05/66/76/135056676.db2.gz PJZDTZAOIPZZAH-KBPBESRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCOCC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000339088052 135056939 /nfs/dbraw/zinc/05/69/39/135056939.db2.gz KYLBJPYPVHJMQQ-UHFFFAOYSA-N 1 0 234.343 2.417 20 30 BEEDRO C[C@@H]1C[N@H+](CCOCCC#N)CC(C)(C)C1 ZINC000339081791 135056950 /nfs/dbraw/zinc/05/69/50/135056950.db2.gz BBURPVHZEYTYCP-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CCCC[N@H+](CCCO)[C@H]1CC[C@@H](C#N)C1 ZINC000339076232 135057445 /nfs/dbraw/zinc/05/74/45/135057445.db2.gz YOQLKUUNOBKNIA-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000339093202 135058655 /nfs/dbraw/zinc/05/86/55/135058655.db2.gz ZKMRFKQKOXFCKX-KBPBESRZSA-N 1 0 249.358 2.159 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339100213 135059552 /nfs/dbraw/zinc/05/95/52/135059552.db2.gz WGIVCUIACLYCAK-MJBXVCDLSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339115216 135061164 /nfs/dbraw/zinc/06/11/64/135061164.db2.gz CEYIGZGFVJLAPA-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CC[C@@H](C#N)C1 ZINC000339115213 135061328 /nfs/dbraw/zinc/06/13/28/135061328.db2.gz CEYIGZGFVJLAPA-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)[C@@H]1CC[C@H](C#N)C1 ZINC000339115218 135061337 /nfs/dbraw/zinc/06/13/37/135061337.db2.gz CEYIGZGFVJLAPA-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[N@@H+]1CCSC(C)(C)CC1 ZINC000339137237 135061460 /nfs/dbraw/zinc/06/14/60/135061460.db2.gz PCMVSRFXAZKKGH-UHFFFAOYSA-N 1 0 229.389 2.407 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000339171796 135063378 /nfs/dbraw/zinc/06/33/78/135063378.db2.gz LUDHZWKFFCNIIO-MGPQQGTHSA-N 1 0 234.343 2.181 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(F)(C#N)CC2)C1 ZINC000339184311 135064409 /nfs/dbraw/zinc/06/44/09/135064409.db2.gz FUXJKQZOIUHDCH-WDEREUQCSA-N 1 0 221.279 2.006 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000339203027 135064862 /nfs/dbraw/zinc/06/48/62/135064862.db2.gz SHDULEXHGWLLEF-ZDUSSCGKSA-N 1 0 209.333 2.311 20 30 BEEDRO C[C@H](O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000339228692 135067455 /nfs/dbraw/zinc/06/74/55/135067455.db2.gz AHTDYVWRDAJKSV-GXTWGEPZSA-N 1 0 232.327 2.392 20 30 BEEDRO N#CC1(C[NH+]2CCC(CF)CC2)CCC1 ZINC000336262155 135072184 /nfs/dbraw/zinc/07/21/84/135072184.db2.gz ZXBSDINDMMCECL-UHFFFAOYSA-N 1 0 210.296 2.362 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000237817330 135072380 /nfs/dbraw/zinc/07/23/80/135072380.db2.gz YNSNRSNFDYKWAO-UHFFFAOYSA-N 1 0 246.310 2.241 20 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C=CCOCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339772469 135081354 /nfs/dbraw/zinc/08/13/54/135081354.db2.gz NZNIQLUDQNKLOY-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCCO1 ZINC000339819424 135083090 /nfs/dbraw/zinc/08/30/90/135083090.db2.gz UUOUGVCLQBYXOE-IHRRRGAJSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000249740763 135090468 /nfs/dbraw/zinc/09/04/68/135090468.db2.gz ITUNQRXKROVNHX-XDTLVQLUSA-N 1 0 249.333 2.384 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000252733599 135105025 /nfs/dbraw/zinc/10/50/25/135105025.db2.gz JMBMMPSEKQHMJI-YNEHKIRRSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000252756685 135107289 /nfs/dbraw/zinc/10/72/89/135107289.db2.gz JWOMPZVMNCMQDH-GRYCIOLGSA-N 1 0 232.327 2.368 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1sccc1C ZINC000261769245 135111039 /nfs/dbraw/zinc/11/10/39/135111039.db2.gz MMCQOXQHWIXVDH-VIFPVBQESA-N 1 0 225.361 2.259 20 30 BEEDRO CCOc1cccc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000261964092 135112993 /nfs/dbraw/zinc/11/29/93/135112993.db2.gz AIRPEDLJZIZVMI-UHFFFAOYSA-N 1 0 249.358 2.065 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2ccc3sccc3c2)N1 ZINC000262362903 135118149 /nfs/dbraw/zinc/11/81/49/135118149.db2.gz JIKUPDVOROEGKO-SECBINFHSA-N 1 0 245.351 2.339 20 30 BEEDRO [NH2+]=C(NCCc1cc2ccccc2o1)NC1CC1 ZINC000262360812 135118163 /nfs/dbraw/zinc/11/81/63/135118163.db2.gz ITJQIQIKYMQREZ-UHFFFAOYSA-N 1 0 243.310 2.042 20 30 BEEDRO C[NH+]=C(NCc1sccc1C)NC1CCC1 ZINC000262444565 135118580 /nfs/dbraw/zinc/11/85/80/135118580.db2.gz VDFNVYOIERAVEY-UHFFFAOYSA-N 1 0 237.372 2.274 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc(C(C)(C)C)cc2)N1 ZINC000262633368 135119597 /nfs/dbraw/zinc/11/95/97/135119597.db2.gz GFLGTQWJPYCTLU-NSHDSACASA-N 1 0 245.370 2.421 20 30 BEEDRO N#CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253088919 135119987 /nfs/dbraw/zinc/11/99/87/135119987.db2.gz GBUXUQISZYDGTD-BFHYXJOUSA-N 1 0 236.359 2.306 20 30 BEEDRO CSc1cc(C)ccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262679470 135121128 /nfs/dbraw/zinc/12/11/28/135121128.db2.gz VMCOKRNXCXBYIY-JTQLQIEISA-N 1 0 249.383 2.154 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253099098 135121271 /nfs/dbraw/zinc/12/12/71/135121271.db2.gz UNARQJJREUOCPU-BFHYXJOUSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CCNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000262781578 135123048 /nfs/dbraw/zinc/12/30/48/135123048.db2.gz JCHJGLSAKRXXLJ-AULYBMBSSA-N 1 0 247.317 2.162 20 30 BEEDRO C[NH+]=C(N[C@H](C)c1ccccc1)N[C@@H]1C[C@@H]1C ZINC000262950408 135123726 /nfs/dbraw/zinc/12/37/26/135123726.db2.gz BRYJHZLHFDIKML-DMDPSCGWSA-N 1 0 231.343 2.321 20 30 BEEDRO C[NH+]=C(NCc1cccs1)NC(C)(C)C ZINC000263239685 135125815 /nfs/dbraw/zinc/12/58/15/135125815.db2.gz KTGOQJCIKYVXBW-UHFFFAOYSA-N 1 0 225.361 2.212 20 30 BEEDRO CN(C)C(=[NH+]Cc1ccccc1Cl)N(C)C ZINC000263253878 135126097 /nfs/dbraw/zinc/12/60/97/135126097.db2.gz PXNAZESSPYJSLS-UHFFFAOYSA-N 1 0 239.750 2.319 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCc1cccc(C)c1 ZINC000264073089 135131752 /nfs/dbraw/zinc/13/17/52/135131752.db2.gz DUBMCPYNRQTSPY-LBPRGKRZSA-N 1 0 233.359 2.240 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCc1ccc(F)cc1 ZINC000264077805 135131822 /nfs/dbraw/zinc/13/18/22/135131822.db2.gz HVYZDWDPDYIVFE-SNVBAGLBSA-N 1 0 237.322 2.071 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(COCC)cc1 ZINC000264082436 135132054 /nfs/dbraw/zinc/13/20/54/135132054.db2.gz HYRFJKOMVGPCDH-UHFFFAOYSA-N 1 0 249.358 2.037 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@@H](c2ccccc2C)C1 ZINC000267161953 135151880 /nfs/dbraw/zinc/15/18/80/135151880.db2.gz RGWKSWCMSUJGME-UWZWCOGJSA-N 1 0 245.370 2.332 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCCc1ccc(O)cc1 ZINC000267378437 135153246 /nfs/dbraw/zinc/15/32/46/135153246.db2.gz AMHRLUOJBNZWFS-NSHDSACASA-N 1 0 249.358 2.028 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000267385104 135153298 /nfs/dbraw/zinc/15/32/98/135153298.db2.gz BJEIEHQDIXISMJ-SNVBAGLBSA-N 1 0 239.388 2.241 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCc1ccc(C)cc1 ZINC000267414291 135153898 /nfs/dbraw/zinc/15/38/98/135153898.db2.gz IWTJCGCUNVJTNP-LBPRGKRZSA-N 1 0 233.359 2.240 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCC2(C)COC2)cc1C ZINC000267405139 135153899 /nfs/dbraw/zinc/15/38/99/135153899.db2.gz GUDSFRLYJPVNCJ-UHFFFAOYSA-N 1 0 247.342 2.067 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)Oc1cccc(C)c1 ZINC000267401107 135153909 /nfs/dbraw/zinc/15/39/09/135153909.db2.gz FXWZXASILNYIBF-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCc1ccncc1 ZINC000267425514 135154075 /nfs/dbraw/zinc/15/40/75/135154075.db2.gz LJAGQRNFLHMQDL-UHFFFAOYSA-N 1 0 248.374 2.109 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](C)Sc1ccccc1 ZINC000267460844 135154906 /nfs/dbraw/zinc/15/49/06/135154906.db2.gz VAQBZCRKZQBWEW-LLVKDONJSA-N 1 0 249.383 2.258 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)Oc1ccc(C)cc1 ZINC000267460069 135154966 /nfs/dbraw/zinc/15/49/66/135154966.db2.gz UVPABFDSUXIEDE-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO CNC(NCC1(Cc2ccccc2)CCC1)=[NH+]C ZINC000268123820 135158576 /nfs/dbraw/zinc/15/85/76/135158576.db2.gz IBTFLKUCSZZHCP-UHFFFAOYSA-N 1 0 245.370 2.194 20 30 BEEDRO COC1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000087608471 135158894 /nfs/dbraw/zinc/15/88/94/135158894.db2.gz OUXHDBYHIKZNQK-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO COC(=O)[C@H](C)C[N@H+](C)CCCC(C)(C)C#N ZINC000087607115 135159069 /nfs/dbraw/zinc/15/90/69/135159069.db2.gz PZJXFXOZKXGXBS-LLVKDONJSA-N 1 0 240.347 2.057 20 30 BEEDRO C[C@@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608479 135159084 /nfs/dbraw/zinc/15/90/84/135159084.db2.gz VPVXPSVTBHSBKL-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]1CC[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261531687 135160568 /nfs/dbraw/zinc/16/05/68/135160568.db2.gz HMNNOSYUEPTEOY-GXSJLCMTSA-N 1 0 209.337 2.022 20 30 BEEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])Nc1ccccc1 ZINC000261533208 135164428 /nfs/dbraw/zinc/16/44/28/135164428.db2.gz KLQZFZANRKVHSL-KOLCDFICSA-N 1 0 203.289 2.212 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccco1 ZINC000353394668 135167196 /nfs/dbraw/zinc/16/71/96/135167196.db2.gz MZULMZLZWMLBAC-WDEREUQCSA-N 1 0 236.315 2.140 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCC1=CCCC1 ZINC000269934840 135167941 /nfs/dbraw/zinc/16/79/41/135167941.db2.gz BXZGQKLJCPXEIF-JTQLQIEISA-N 1 0 209.337 2.190 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000261537363 135174037 /nfs/dbraw/zinc/17/40/37/135174037.db2.gz VJXWQNOBZFVHOX-YUMQZZPRSA-N 1 0 223.707 2.359 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+]([C@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000293451795 135179686 /nfs/dbraw/zinc/17/96/86/135179686.db2.gz CPAJKBPSTYXLDO-HZSPNIEDSA-N 1 0 244.342 2.131 20 30 BEEDRO CC[N@H+](CCOCCC#N)CCc1ccccc1 ZINC000293501056 135180081 /nfs/dbraw/zinc/18/00/81/135180081.db2.gz NQEZNASLYDBYGW-UHFFFAOYSA-N 1 0 246.354 2.481 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)C1 ZINC000293809250 135183386 /nfs/dbraw/zinc/18/33/86/135183386.db2.gz OBHZELZJRDCXCB-UPJWGTAASA-N 1 0 244.342 2.281 20 30 BEEDRO N#CCCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000293758977 135183748 /nfs/dbraw/zinc/18/37/48/135183748.db2.gz YVQBDSYNCCTQQN-UHFFFAOYSA-N 1 0 240.253 2.454 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)C(C)(C)OC)CC1 ZINC000340479830 135186807 /nfs/dbraw/zinc/18/68/07/135186807.db2.gz UPNSTFVDJRPRPY-GFCCVEGCSA-N 1 0 240.391 2.040 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CCC=C)C1CC1 ZINC000294865180 135187803 /nfs/dbraw/zinc/18/78/03/135187803.db2.gz CGBMXTKBDGPMCJ-OAHLLOKOSA-N 1 0 234.387 2.276 20 30 BEEDRO C=Cn1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000295062711 135188797 /nfs/dbraw/zinc/18/87/97/135188797.db2.gz OLQAOWUCVXQONZ-AAEUAGOBSA-N 1 0 230.315 2.156 20 30 BEEDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)n1 ZINC000295101481 135188829 /nfs/dbraw/zinc/18/88/29/135188829.db2.gz SWEYDPDECXQTQS-RYUDHWBXSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CC[N@H+](CCc1cscn1)C1CC1 ZINC000296207226 135191185 /nfs/dbraw/zinc/19/11/85/135191185.db2.gz FTHWJPJGJXKMQJ-UHFFFAOYSA-N 1 0 208.330 2.336 20 30 BEEDRO Cc1nc(N[C@@H]2CCCC[C@H]2C[NH3+])ccc1C#N ZINC000261555667 135195157 /nfs/dbraw/zinc/19/51/57/135195157.db2.gz BPQKXXDHQWJRCX-QWHCGFSZSA-N 1 0 244.342 2.191 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1cccc(Cl)c1 ZINC000297650274 135196371 /nfs/dbraw/zinc/19/63/71/135196371.db2.gz NDXAGIJFFUCTJZ-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cc(C)ccc1O ZINC000120868878 135219468 /nfs/dbraw/zinc/21/94/68/135219468.db2.gz GWQSUMJUHGXPAQ-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000121150002 135221824 /nfs/dbraw/zinc/22/18/24/135221824.db2.gz SVTAKFNSQNMKMV-UHFFFAOYSA-N 1 0 243.310 2.005 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1ccccc1Cl ZINC000121513648 135224388 /nfs/dbraw/zinc/22/43/88/135224388.db2.gz ABROXLZEQGSUAU-GFCCVEGCSA-N 1 0 225.719 2.491 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000121599386 135225478 /nfs/dbraw/zinc/22/54/78/135225478.db2.gz RTQPPWYIVGBCJQ-GFCCVEGCSA-N 1 0 227.254 2.116 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340696306 135226408 /nfs/dbraw/zinc/22/64/08/135226408.db2.gz LHGHQLSPICBOER-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000340877449 135230484 /nfs/dbraw/zinc/23/04/84/135230484.db2.gz BLZCGNMYSMHSRV-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CC=CCC1)NC1CCCC1 ZINC000261590309 135230959 /nfs/dbraw/zinc/23/09/59/135230959.db2.gz UMBWQXYWFKIAPJ-LLVKDONJSA-N 1 0 221.348 2.190 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(O)(COC)CC1 ZINC000340965151 135233358 /nfs/dbraw/zinc/23/33/58/135233358.db2.gz WQBLEXDPSICMSN-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000341265318 135235281 /nfs/dbraw/zinc/23/52/81/135235281.db2.gz HZCCYPYGUYHNDX-CYBMUJFWSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(F)cc(F)c1 ZINC000341273816 135235964 /nfs/dbraw/zinc/23/59/64/135235964.db2.gz OEFBXMBVLXTVBS-SNVBAGLBSA-N 1 0 241.281 2.239 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000341361084 135236590 /nfs/dbraw/zinc/23/65/90/135236590.db2.gz HJECKHXRJLTDNA-BFHYXJOUSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000341384362 135237333 /nfs/dbraw/zinc/23/73/33/135237333.db2.gz RUZFITJEJIRYFR-GFCCVEGCSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000341425518 135238224 /nfs/dbraw/zinc/23/82/24/135238224.db2.gz AMJYJVINEWCWGG-GFCCVEGCSA-N 1 0 244.342 2.413 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000341440512 135238885 /nfs/dbraw/zinc/23/88/85/135238885.db2.gz QEIYJVLYZCLISH-LBPRGKRZSA-N 1 0 248.301 2.334 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341789113 135243400 /nfs/dbraw/zinc/24/34/00/135243400.db2.gz BOZGVEWOPYKBCT-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cnccc1C ZINC000341869228 135243882 /nfs/dbraw/zinc/24/38/82/135243882.db2.gz ACZQEVLKUFKDIM-QWHCGFSZSA-N 1 0 234.343 2.225 20 30 BEEDRO C=CCN(CC(F)(F)F)C[C@@]1(C)CC[NH2+]C1 ZINC000261679510 135245459 /nfs/dbraw/zinc/24/54/59/135245459.db2.gz ADIQZXHVMASOFS-JTQLQIEISA-N 1 0 236.281 2.036 20 30 BEEDRO C=CCNC(=[NH+]CC)N1CC[C@@](C)(CC)C1 ZINC000261746735 135250018 /nfs/dbraw/zinc/25/00/18/135250018.db2.gz LKMNZEZRNZZZDD-CYBMUJFWSA-N 1 0 223.364 2.260 20 30 BEEDRO C=CC[N@@H+](CCCCCF)CCOC ZINC000342169018 135252499 /nfs/dbraw/zinc/25/24/99/135252499.db2.gz PEMWHTNFICTZID-UHFFFAOYSA-N 1 0 203.301 2.261 20 30 BEEDRO C=C(Cl)CNC(=[NH+]C)N1CC[C@@](C)(CC)C1 ZINC000261790625 135253432 /nfs/dbraw/zinc/25/34/32/135253432.db2.gz QHZRYQYLKOXTBJ-GFCCVEGCSA-N 1 0 243.782 2.436 20 30 BEEDRO CC[C@]1(C)CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000261853869 135257609 /nfs/dbraw/zinc/25/76/09/135257609.db2.gz YKNBFTRLWGYWGI-CYBMUJFWSA-N 1 0 223.364 2.236 20 30 BEEDRO C=Cn1cc(C[NH2+]CC(C)(C)CCC#N)cn1 ZINC000342308339 135258022 /nfs/dbraw/zinc/25/80/22/135258022.db2.gz XCHGSTHRYVLAIO-UHFFFAOYSA-N 1 0 232.331 2.403 20 30 BEEDRO Cc1ccccc1[C@H]1C[C@H](NC(=[NH2+])NC2CC2)C1 ZINC000262177077 135283665 /nfs/dbraw/zinc/28/36/65/135283665.db2.gz PORVWEPIVUMWDY-AULYBMBSSA-N 1 0 243.354 2.308 20 30 BEEDRO C=CCSCCNC(=[NH2+])N1CCCCCC1 ZINC000262216276 135285520 /nfs/dbraw/zinc/28/55/20/135285520.db2.gz KSGKVOIMUBWVDD-UHFFFAOYSA-N 1 0 241.404 2.096 20 30 BEEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262238319 135286965 /nfs/dbraw/zinc/28/69/65/135286965.db2.gz AZQYUOLMWMKCBO-XCBNKYQSSA-N 1 0 239.269 2.490 20 30 BEEDRO CN(C(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1)C1CC1 ZINC000262245065 135287575 /nfs/dbraw/zinc/28/75/75/135287575.db2.gz ONQSDDKYWGTMEK-OCCSQVGLSA-N 1 0 243.354 2.027 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000342573114 135291050 /nfs/dbraw/zinc/29/10/50/135291050.db2.gz UNJWKKJIQKESND-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@H](C)[C@H]1C ZINC000262330119 135293176 /nfs/dbraw/zinc/29/31/76/135293176.db2.gz FEKOVMXUWHQDLK-TUAOUCFPSA-N 1 0 223.364 2.149 20 30 BEEDRO CCCC1(C[NH+]=C(N(C)C)N(C)C)CCC1 ZINC000262439049 135299873 /nfs/dbraw/zinc/29/98/73/135299873.db2.gz UJILYHCZMXAUIC-UHFFFAOYSA-N 1 0 225.380 2.436 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@H](c2ccccc2C)C1 ZINC000262480130 135301835 /nfs/dbraw/zinc/30/18/35/135301835.db2.gz RGWKSWCMSUJGME-PVEMMZBWSA-N 1 0 245.370 2.332 20 30 BEEDRO CC(C)C1CCC(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262663266 135312153 /nfs/dbraw/zinc/31/21/53/135312153.db2.gz NOJAFGFWZSTBKC-HIFPTAJRSA-N 1 0 237.391 2.386 20 30 BEEDRO CN1CC[NH+]=C1NCC1(C)CCCCCC1 ZINC000262681926 135312841 /nfs/dbraw/zinc/31/28/41/135312841.db2.gz WNZIYQKVYHOPMP-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1CCNC1=[NH+]CCN1C ZINC000262690289 135313671 /nfs/dbraw/zinc/31/36/71/135313671.db2.gz ZZTUTABOKNDTAB-VXGBXAGGSA-N 1 0 223.364 2.094 20 30 BEEDRO CN1CC[NH+]=C1NCC(C)(C)Cc1ccccc1 ZINC000262689512 135314165 /nfs/dbraw/zinc/31/41/65/135314165.db2.gz ZQZGYYZLVNIUFR-UHFFFAOYSA-N 1 0 245.370 2.146 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)NCC1CCCCC1 ZINC000342722678 135314904 /nfs/dbraw/zinc/31/49/04/135314904.db2.gz OPQHNLRDDWVCQS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(C(=O)OCC)o1 ZINC000342735323 135316945 /nfs/dbraw/zinc/31/69/45/135316945.db2.gz NDSKPXVVWUXIMZ-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO C[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@@H](C)C1 ZINC000262805552 135319385 /nfs/dbraw/zinc/31/93/85/135319385.db2.gz SQZDEPQBLXPKSF-ZYHUDNBSSA-N 1 0 223.364 2.283 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@H]1CCCC(F)(F)C1 ZINC000263025667 135327573 /nfs/dbraw/zinc/32/75/73/135327573.db2.gz ANUCYWNXQAHBQJ-JTQLQIEISA-N 1 0 245.317 2.093 20 30 BEEDRO CN(C(=[NH2+])NC[C@@H]1CCC[C@@H]1C1CC1)C1CC1 ZINC000263064910 135330318 /nfs/dbraw/zinc/33/03/18/135330318.db2.gz FZPQYYHHFXDQQW-WCQYABFASA-N 1 0 235.375 2.222 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@H]1CCC[C@H]1C1CC1 ZINC000263081047 135331025 /nfs/dbraw/zinc/33/10/25/135331025.db2.gz HQNDGILHTVZVJG-OLZOCXBDSA-N 1 0 237.391 2.373 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000263080364 135331159 /nfs/dbraw/zinc/33/11/59/135331159.db2.gz ROLXAIHXRTZAMQ-JKOKRWQUSA-N 1 0 249.333 2.327 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000263081050 135331176 /nfs/dbraw/zinc/33/11/76/135331176.db2.gz HQNDGILHTVZVJG-QWHCGFSZSA-N 1 0 237.391 2.373 20 30 BEEDRO CC[C@H]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263078927 135331317 /nfs/dbraw/zinc/33/13/17/135331317.db2.gz HNMHYXJXAHPVGB-NWDGAFQWSA-N 1 0 225.380 2.292 20 30 BEEDRO [NH2+]=C(Nc1ccc2c(c1)CCC2)N[C@H]1CC12CC2 ZINC000263088328 135331908 /nfs/dbraw/zinc/33/19/08/135331908.db2.gz TUQLGTSFJYRCQR-ZDUSSCGKSA-N 1 0 241.338 2.454 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])N[C@H]2CCC2(C)C)C1 ZINC000263125035 135334406 /nfs/dbraw/zinc/33/44/06/135334406.db2.gz FEOJTISGSIPZAE-QWRGUYRKSA-N 1 0 223.364 2.222 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263130398 135334716 /nfs/dbraw/zinc/33/47/16/135334716.db2.gz NBNGGVLOHKRRAX-NEPJUHHUSA-N 1 0 223.364 2.223 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1C[C@H]1c1ccccc1)N(C)C ZINC000263135946 135335129 /nfs/dbraw/zinc/33/51/29/135335129.db2.gz NQDZCBPYYYSYOM-KBPBESRZSA-N 1 0 245.370 2.269 20 30 BEEDRO CC1(C)CCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000263129487 135335171 /nfs/dbraw/zinc/33/51/71/135335171.db2.gz MWVFDLZHLBFPJB-SNVBAGLBSA-N 1 0 223.364 2.270 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1CCCC1(C)C)N(C)C ZINC000263150393 135335420 /nfs/dbraw/zinc/33/54/20/135335420.db2.gz PIPKEFRTPYINND-LLVKDONJSA-N 1 0 225.380 2.292 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])NC(C)(C)C ZINC000263146330 135335524 /nfs/dbraw/zinc/33/55/24/135335524.db2.gz OWLYDNXHXXYEBU-NXEZZACHSA-N 1 0 211.353 2.124 20 30 BEEDRO CC[C@H]1CCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263185841 135338039 /nfs/dbraw/zinc/33/80/39/135338039.db2.gz UWBXASFXAOEXGH-RYUDHWBXSA-N 1 0 223.364 2.094 20 30 BEEDRO CC1(C)CCC[C@@H](CNC(=[NH2+])N2CCC2)C1 ZINC000263195376 135338620 /nfs/dbraw/zinc/33/86/20/135338620.db2.gz WIFZVHJBQSUJLH-LLVKDONJSA-N 1 0 223.364 2.223 20 30 BEEDRO C#CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000268700912 135364340 /nfs/dbraw/zinc/36/43/40/135364340.db2.gz BRFUXSUZMVTZNV-GOEBONIOSA-N 1 0 242.366 2.120 20 30 BEEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cn[nH]c1 ZINC000275260414 135367108 /nfs/dbraw/zinc/36/71/08/135367108.db2.gz ZWTCJTJVVWTNNU-JTQLQIEISA-N 1 0 220.320 2.390 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cn[nH]c1 ZINC000275131651 135367367 /nfs/dbraw/zinc/36/73/67/135367367.db2.gz CAGPHTUPIOVVOP-SECBINFHSA-N 1 0 206.293 2.000 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1cccnc1 ZINC000276350491 135367428 /nfs/dbraw/zinc/36/74/28/135367428.db2.gz WICQKFPYUSDLMZ-GHMZBOCLSA-N 1 0 203.289 2.424 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(CO)o1 ZINC000281452034 135369924 /nfs/dbraw/zinc/36/99/24/135369924.db2.gz SWJJBRRYZGXWJS-JTQLQIEISA-N 1 0 209.289 2.216 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000282782323 135371412 /nfs/dbraw/zinc/37/14/12/135371412.db2.gz PQMKLJHTUXNEIR-PWSUYJOCSA-N 1 0 223.316 2.484 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284342816 135371780 /nfs/dbraw/zinc/37/17/80/135371780.db2.gz RGYKNRRHZZGGBE-ZIAGYGMSSA-N 1 0 216.328 2.207 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000282646153 135372151 /nfs/dbraw/zinc/37/21/51/135372151.db2.gz CCJJZICSRPXLLT-WDEREUQCSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](C)CO)c1ccco1 ZINC000286192782 135372473 /nfs/dbraw/zinc/37/24/73/135372473.db2.gz RHYMSLNDBJDFHZ-WDEREUQCSA-N 1 0 209.289 2.257 20 30 BEEDRO C#CC[NH2+][C@@H](COC)c1cccc(Cl)c1 ZINC000288838650 135373388 /nfs/dbraw/zinc/37/33/88/135373388.db2.gz OKQHOOXJYRWKDP-LBPRGKRZSA-N 1 0 223.703 2.250 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(O)c1Cl ZINC000293165556 135376794 /nfs/dbraw/zinc/37/67/94/135376794.db2.gz FZSOLPKRZPQDOK-JTQLQIEISA-N 1 0 241.718 2.072 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccncc1C ZINC000295239935 135378532 /nfs/dbraw/zinc/37/85/32/135378532.db2.gz SOSMUTSPZGAZSA-UHFFFAOYSA-N 1 0 222.357 2.399 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CCc1ccco1 ZINC000295037831 135379101 /nfs/dbraw/zinc/37/91/01/135379101.db2.gz PEOKTIKOAUNFEF-CQSZACIVSA-N 1 0 248.370 2.145 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000307135128 135383546 /nfs/dbraw/zinc/38/35/46/135383546.db2.gz PYEPOQZIHYKQGE-GMTAPVOTSA-N 1 0 210.346 2.021 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164559914 135397255 /nfs/dbraw/zinc/39/72/55/135397255.db2.gz HULJFPNAXJAMCC-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO CC1(C)CCCC[C@H]1[NH2+]CCOCCC#N ZINC000339095067 135430283 /nfs/dbraw/zinc/43/02/83/135430283.db2.gz GUZXAHFFPJWJER-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000330462624 135474483 /nfs/dbraw/zinc/47/44/83/135474483.db2.gz SUGYZAILXCGEOV-SNVBAGLBSA-N 1 0 209.293 2.070 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000090181405 135546587 /nfs/dbraw/zinc/54/65/87/135546587.db2.gz JTIPORRJUMRBEY-OCCSQVGLSA-N 1 0 248.370 2.084 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000090451331 135549967 /nfs/dbraw/zinc/54/99/67/135549967.db2.gz VZEPTQJFVCYYLL-ZDUSSCGKSA-N 1 0 237.347 2.054 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)O ZINC000192971185 135586324 /nfs/dbraw/zinc/58/63/24/135586324.db2.gz UKZWEQJNVIZKIW-LBPRGKRZSA-N 1 0 235.327 2.064 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000289351138 135609056 /nfs/dbraw/zinc/60/90/56/135609056.db2.gz JBXFLMGMSDSFNI-AWEZNQCLSA-N 1 0 229.323 2.369 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn2cc(C)ccc2n1)C(C)C ZINC000289641947 135615187 /nfs/dbraw/zinc/61/51/87/135615187.db2.gz XPOIYCVPXLOHPE-AWEZNQCLSA-N 1 0 241.338 2.390 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000289931455 135628631 /nfs/dbraw/zinc/62/86/31/135628631.db2.gz VNQCYQBIBMRPEX-RZFFKMDDSA-N 1 0 231.339 2.315 20 30 BEEDRO C=CCOc1ccccc1CN1CC[C@H]([NH2+]C)C1 ZINC000346649029 135948751 /nfs/dbraw/zinc/94/87/51/135948751.db2.gz NHWUMFPWCAMLGB-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000347702695 136007554 /nfs/dbraw/zinc/00/75/54/136007554.db2.gz JPANXWQSVUHUHR-XQHKEYJVSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1CC1 ZINC000347911057 136016219 /nfs/dbraw/zinc/01/62/19/136016219.db2.gz KEOXZRLVEBZIHP-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@@H](COC)C1 ZINC000348061507 136024810 /nfs/dbraw/zinc/02/48/10/136024810.db2.gz YYMAUNNRISGEND-CQSZACIVSA-N 1 0 241.375 2.328 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(O)cc3C2)C1 ZINC000335317972 136026113 /nfs/dbraw/zinc/02/61/13/136026113.db2.gz IEGIRBDSARRJJM-SMDDNHRTSA-N 1 0 242.322 2.443 20 30 BEEDRO C=CCOCCC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000348036538 136028096 /nfs/dbraw/zinc/02/80/96/136028096.db2.gz PNLMJHXVUIYXRO-VXGBXAGGSA-N 1 0 229.389 2.405 20 30 BEEDRO C=CCOCCC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000348047095 136030316 /nfs/dbraw/zinc/03/03/16/136030316.db2.gz LBWSWVJXFMZAHO-STQMWFEESA-N 1 0 209.333 2.311 20 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C=CCOCCC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000348231179 136060715 /nfs/dbraw/zinc/06/07/15/136060715.db2.gz OAOUBGIHXANFNW-GXTWGEPZSA-N 1 0 239.359 2.078 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1nccn1C ZINC000348234496 136060948 /nfs/dbraw/zinc/06/09/48/136060948.db2.gz XBXPXGDGYWXRLY-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348236961 136061493 /nfs/dbraw/zinc/06/14/93/136061493.db2.gz YOTOZSTWVGJLHS-DTWKUNHWSA-N 1 0 218.247 2.040 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1cn(C(C)C)nn1 ZINC000348351060 136072101 /nfs/dbraw/zinc/07/21/01/136072101.db2.gz CWDYAGGGVLVVLV-CYBMUJFWSA-N 1 0 234.347 2.400 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000348403668 136076791 /nfs/dbraw/zinc/07/67/91/136076791.db2.gz WQVAZWITYUJYON-KOLCDFICSA-N 1 0 234.274 2.137 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1C#N ZINC000335389997 136090473 /nfs/dbraw/zinc/09/04/73/136090473.db2.gz YPBUIOCMJXIWPZ-RYUDHWBXSA-N 1 0 235.306 2.267 20 30 BEEDRO CC1(C(N)=O)CN(Cc2ccc(C#N)cc2F)C1 ZINC000335390885 136090626 /nfs/dbraw/zinc/09/06/26/136090626.db2.gz ZHIFRGHQMKSKPI-UHFFFAOYSA-N 1 0 247.273 2.055 20 30 BEEDRO Cn1cc(C[N@H+](C)[C@@H]2CC2(C)C)cc1C#N ZINC000335400019 136093758 /nfs/dbraw/zinc/09/37/58/136093758.db2.gz JNUINSVVPYQNPF-GFCCVEGCSA-N 1 0 217.316 2.127 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000335598123 136106044 /nfs/dbraw/zinc/10/60/44/136106044.db2.gz XJTVARQPAYJXBP-TXEJJXNPSA-N 1 0 238.375 2.140 20 30 BEEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000335598890 136113933 /nfs/dbraw/zinc/11/39/33/136113933.db2.gz ZEWFLQFECATIQY-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000601306309 397869465 /nfs/dbraw/zinc/86/94/65/397869465.db2.gz GCDYCCOVCRMBNF-BZNPZCIMSA-N 1 0 218.222 2.219 20 30 BEEDRO Cc1cc(C)c(CCNC(=[NH2+])N(C)C)c(C)c1 ZINC000170903835 397825438 /nfs/dbraw/zinc/82/54/38/397825438.db2.gz DXBMCEKPXAXXET-UHFFFAOYSA-N 1 0 233.359 2.031 20 30 BEEDRO CC#CCC[N@H+](C)Cc1cnc(C(C)C)nc1 ZINC000440493153 397927734 /nfs/dbraw/zinc/92/77/34/397927734.db2.gz ZAIVRUODJSSSDS-UHFFFAOYSA-N 1 0 231.343 2.445 20 30 BEEDRO C=CCOCC[N@@H+]1CCc2cccc(OC)c2C1 ZINC000650109688 397931978 /nfs/dbraw/zinc/93/19/78/397931978.db2.gz CYJOSRLSERMKJZ-UHFFFAOYSA-N 1 0 247.338 2.256 20 30 BEEDRO COC1CCC(C)(C[NH2+]CCC#N)CC1 ZINC000591765000 397934634 /nfs/dbraw/zinc/93/46/34/397934634.db2.gz VVMIMWZZELEQMI-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444721004 397942846 /nfs/dbraw/zinc/94/28/46/397942846.db2.gz UZUNSGXFXORHJQ-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)nn1C ZINC000414447899 397944259 /nfs/dbraw/zinc/94/42/59/397944259.db2.gz LYUYCRKKLHVXNO-UHFFFAOYSA-N 1 0 246.358 2.148 20 30 BEEDRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592151462 397944964 /nfs/dbraw/zinc/94/49/64/397944964.db2.gz PHLPLQCHJHGWPJ-HIFRSBDPSA-N 1 0 244.338 2.407 20 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245.370 2.459 20 30 BEEDRO C=CCCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000170668745 398035178 /nfs/dbraw/zinc/03/51/78/398035178.db2.gz MNHCBOYVYWWPCS-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000278578704 398038726 /nfs/dbraw/zinc/03/87/26/398038726.db2.gz JWIHTTGBVKXLSD-GFCCVEGCSA-N 1 0 218.304 2.240 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)C(C)(C)C ZINC000491407448 398040380 /nfs/dbraw/zinc/04/03/80/398040380.db2.gz RHFDBVRFLLWOTI-KKOKHZNYSA-N 1 0 209.333 2.190 20 30 BEEDRO CCO[C@@H]1CC[N@H+](CCCCC#N)C[C@@H]1C ZINC000451546472 397974668 /nfs/dbraw/zinc/97/46/68/397974668.db2.gz SCSZEPRAFAWPDI-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ccc(OC)cc1 ZINC000451598398 397978598 /nfs/dbraw/zinc/97/85/98/397978598.db2.gz KUFZEEKIASUAPL-CABCVRRESA-N 1 0 247.338 2.171 20 30 BEEDRO CC[C@H]1CN(CC)CC[N@@H+]1CCCCC#N ZINC000451734053 397981873 /nfs/dbraw/zinc/98/18/73/397981873.db2.gz WIYZJZAQHDDBDC-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO CC[N@@H+]1CCCN([C@@H](C#N)c2ccccc2)CC1 ZINC000595308630 397988222 /nfs/dbraw/zinc/98/82/22/397988222.db2.gz LQXXSVWWUYNAHC-HNNXBMFYSA-N 1 0 243.354 2.279 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sccc1OC ZINC000186286727 398063155 /nfs/dbraw/zinc/06/31/55/398063155.db2.gz ANOCJQZDDJCLBU-ZJUUUORDSA-N 1 0 241.356 2.344 20 30 BEEDRO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602479589 398074735 /nfs/dbraw/zinc/07/47/35/398074735.db2.gz NKTWUSQCTBEAAI-VXGBXAGGSA-N 1 0 240.347 2.198 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cccc(C#N)n1 ZINC000602481733 398075576 /nfs/dbraw/zinc/07/55/76/398075576.db2.gz DDQJPJYDIQXYLY-PHIMTYICSA-N 1 0 215.300 2.326 20 30 BEEDRO COCC[C@@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602699708 398077700 /nfs/dbraw/zinc/07/77/00/398077700.db2.gz ZWGIFNSLYFEGEV-PNESKVBLSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000564860413 398078378 /nfs/dbraw/zinc/07/83/78/398078378.db2.gz QSFZXOJPGRIKLU-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCC1 ZINC000602699831 398078351 /nfs/dbraw/zinc/07/83/51/398078351.db2.gz RXAJFVROKDONPZ-ZSBIGDGJSA-N 1 0 204.317 2.316 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C#N)c(F)c1 ZINC000271958935 398082877 /nfs/dbraw/zinc/08/28/77/398082877.db2.gz QRTRZTJGNUIVNW-VHSXEESVSA-N 1 0 236.290 2.119 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000153139087 398083472 /nfs/dbraw/zinc/08/34/72/398083472.db2.gz VQEHMRYFRDDFCP-GASCZTMLSA-N 1 0 244.338 2.199 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000292889484 398084684 /nfs/dbraw/zinc/08/46/84/398084684.db2.gz CVTSXMGIDFILMK-GFCCVEGCSA-N 1 0 236.340 2.134 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000491667557 398057289 /nfs/dbraw/zinc/05/72/89/398057289.db2.gz ROHVPBGLZLDUOP-ZDUSSCGKSA-N 1 0 239.322 2.326 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1snnc1C ZINC000293785007 398130599 /nfs/dbraw/zinc/13/05/99/398130599.db2.gz UBAACJGVMFUYSE-QMMMGPOBSA-N 1 0 211.334 2.291 20 30 BEEDRO CC1CC[NH+](CC[C@H]2CCCN2CC#N)CC1 ZINC001648026340 1172790620 /nfs/dbraw/zinc/79/06/20/1172790620.db2.gz BFNJONYPQYPKOM-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC001648252493 1172810529 /nfs/dbraw/zinc/81/05/29/1172810529.db2.gz HMUKJEDFSVIWIR-GUTXKFCHSA-N 1 0 249.354 2.206 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1F)C[C@@H](C)CO ZINC000120687751 490067288 /nfs/dbraw/zinc/06/72/88/490067288.db2.gz PMCCMPMTHAFDNT-GFCCVEGCSA-N 1 0 237.318 2.442 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@H](C)CO ZINC000120678709 490067303 /nfs/dbraw/zinc/06/73/03/490067303.db2.gz RJKRCTGXXZAQQT-ZDUSSCGKSA-N 1 0 249.354 2.312 20 30 BEEDRO CC#CC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001648621815 1172856984 /nfs/dbraw/zinc/85/69/84/1172856984.db2.gz YXHQJDKNBHMUEK-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000685611859 487563894 /nfs/dbraw/zinc/56/38/94/487563894.db2.gz LXLAVDGYTFKTNQ-ZIAGYGMSSA-N 1 0 231.343 2.240 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC001649397058 1172873737 /nfs/dbraw/zinc/87/37/37/1172873737.db2.gz CVCWNEAAZJEPQT-IHRRRGAJSA-N 1 0 221.344 2.147 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC001649397060 1172874203 /nfs/dbraw/zinc/87/42/03/1172874203.db2.gz CVCWNEAAZJEPQT-MELADBBJSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC(C)C)C1 ZINC001649456380 1172874624 /nfs/dbraw/zinc/87/46/24/1172874624.db2.gz NYTWUALTHWAIDO-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)C1(C)CCC1 ZINC001649451270 1172874706 /nfs/dbraw/zinc/87/47/06/1172874706.db2.gz CFUISQDUOVEVIF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC001649464540 1172876292 /nfs/dbraw/zinc/87/62/92/1172876292.db2.gz RWSZFFSFGFBZOF-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1ccc(F)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC001650680764 1172889084 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/nfs/dbraw/zinc/12/69/57/166126957.db2.gz MJFREAMHVZNMMH-UHFFFAOYSA-N 1 0 227.311 2.456 20 30 BEEDRO C#CCCCC[NH2+]Cc1scnc1C ZINC000165935949 166127056 /nfs/dbraw/zinc/12/70/56/166127056.db2.gz UHSOXKWYZUKZAM-UHFFFAOYSA-N 1 0 208.330 2.345 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000150735136 166127125 /nfs/dbraw/zinc/12/71/25/166127125.db2.gz OVKNHJJYRBALOM-UHFFFAOYSA-N 1 0 212.296 2.451 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CC(C)(C)c1ccccc1 ZINC000680484554 487605608 /nfs/dbraw/zinc/60/56/08/487605608.db2.gz MFLPOQJHVKBPCS-CQSZACIVSA-N 1 0 233.355 2.491 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1nccc2ccccc21 ZINC000680484892 487605503 /nfs/dbraw/zinc/60/55/03/487605503.db2.gz QCWHDTONVIGARA-CYBMUJFWSA-N 1 0 242.322 2.261 20 30 BEEDRO C#CCCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000271035987 166130621 /nfs/dbraw/zinc/13/06/21/166130621.db2.gz LYNREXHLEQSPLV-UHFFFAOYSA-N 1 0 249.383 2.069 20 30 BEEDRO C=CCCCCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864468769 589372336 /nfs/dbraw/zinc/37/23/36/589372336.db2.gz IWXMBHQPDSACRP-GHMZBOCLSA-N 1 0 209.337 2.255 20 30 BEEDRO C#CCC[N@@H+](C)C[C@H]1OCCc2ccccc21 ZINC000270645187 166134393 /nfs/dbraw/zinc/13/43/93/166134393.db2.gz SKGBBYYMHFSNJJ-OAHLLOKOSA-N 1 0 229.323 2.256 20 30 BEEDRO C#CCC[N@@H+](C)Cc1nc2ccccc2o1 ZINC000270461078 166134659 /nfs/dbraw/zinc/13/46/59/166134659.db2.gz AFFZAVVUULNVIL-UHFFFAOYSA-N 1 0 214.268 2.283 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000270529581 166135057 /nfs/dbraw/zinc/13/50/57/166135057.db2.gz FFPHJRHAYUVFNA-SJKOYZFVSA-N 1 0 249.379 2.440 20 30 BEEDRO C#CCC[N@@H+](C)Cc1c(C)nc2sccn12 ZINC000270568979 166135328 /nfs/dbraw/zinc/13/53/28/166135328.db2.gz ZYTBZXCGRMWLLM-UHFFFAOYSA-N 1 0 233.340 2.159 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(Cl)nc1 ZINC000268738819 166135426 /nfs/dbraw/zinc/13/54/26/166135426.db2.gz SRJUXBOEEQWJBK-UHFFFAOYSA-N 1 0 208.692 2.190 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000653136821 409856563 /nfs/dbraw/zinc/85/65/63/409856563.db2.gz 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/nfs/dbraw/zinc/19/22/51/166192251.db2.gz DFZQMGIQPPBTDV-CQSZACIVSA-N 1 0 231.339 2.485 20 30 BEEDRO C#CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179740039 166192865 /nfs/dbraw/zinc/19/28/65/166192865.db2.gz VJYVXMHSXWXRBB-HNNXBMFYSA-N 1 0 243.306 2.132 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)C[C@@H](C)OC ZINC000272779790 166200106 /nfs/dbraw/zinc/20/01/06/166200106.db2.gz HLCIJAKJTMVOMV-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)C[C@H](C)OC ZINC000272779791 166200258 /nfs/dbraw/zinc/20/02/58/166200258.db2.gz HLCIJAKJTMVOMV-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccs1 ZINC000152933510 166202947 /nfs/dbraw/zinc/20/29/47/166202947.db2.gz AKZLEOPXGUDZCB-UHFFFAOYSA-N 1 0 211.355 2.204 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C)ccc1O ZINC000152931642 166202909 /nfs/dbraw/zinc/20/29/09/166202909.db2.gz CAYNZRZVWJFHIQ-UHFFFAOYSA-N 1 0 235.352 2.157 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C)cc1 ZINC000152922631 166202929 /nfs/dbraw/zinc/20/29/29/166202929.db2.gz 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BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(=C)CC1 ZINC000264425248 166330390 /nfs/dbraw/zinc/33/03/90/166330390.db2.gz BCNCTIGSJGLYAC-CQSZACIVSA-N 1 0 248.370 2.228 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019504410 166330410 /nfs/dbraw/zinc/33/04/10/166330410.db2.gz VMQURZHANJZYRQ-IHRRRGAJSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](CC)[NH+](CC)CC ZINC000274008062 166332522 /nfs/dbraw/zinc/33/25/22/166332522.db2.gz AEEDRGDKPCODMR-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCN(CCc1ccccc1)[C@H](C)C(=O)OC ZINC000265977989 166342873 /nfs/dbraw/zinc/34/28/73/166342873.db2.gz AHIDVJPACDMBPW-CYBMUJFWSA-N 1 0 247.338 2.279 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1nccn1C ZINC000272297481 166344872 /nfs/dbraw/zinc/34/48/72/166344872.db2.gz PCEPTDQUFYWYAQ-UHFFFAOYSA-N 1 0 245.326 2.244 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@@H]1CCOC1 ZINC000271461961 166345622 /nfs/dbraw/zinc/34/56/22/166345622.db2.gz XGSUTXARXCREQC-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)COCC ZINC000264981489 166346579 /nfs/dbraw/zinc/34/65/79/166346579.db2.gz KVPMSBGDWNVOJB-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO C=CC[N@H+](Cc1ccc(OC)cc1)C[C@H](O)CC ZINC000264413610 166346625 /nfs/dbraw/zinc/34/66/25/166346625.db2.gz GXZREHGMHJIFIA-CQSZACIVSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262698128 166349311 /nfs/dbraw/zinc/34/93/11/166349311.db2.gz FLWMKAXALKMVFQ-NWDGAFQWSA-N 1 0 249.745 2.286 20 30 BEEDRO C=CC[NH+]1CCC(N[C@H](C)c2cc(C)on2)CC1 ZINC000279592324 166352949 /nfs/dbraw/zinc/35/29/49/166352949.db2.gz OKPBSLWUXZCBJH-GFCCVEGCSA-N 1 0 249.358 2.284 20 30 BEEDRO C=CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000340184447 166353920 /nfs/dbraw/zinc/35/39/20/166353920.db2.gz CHWLMMIJZOCKIQ-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000283714471 166354073 /nfs/dbraw/zinc/35/40/73/166354073.db2.gz FHVFNMALFOWJJW-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO C=CCN1CCO[C@@H](c2cccc(F)c2)C1 ZINC000066847955 166355838 /nfs/dbraw/zinc/35/58/38/166355838.db2.gz FGGVMWAYZLXZKE-CYBMUJFWSA-N 1 0 221.275 2.385 20 30 BEEDRO C=CC[N@@H+]1CCCN(C(=O)c2ccccc2)CC1 ZINC000072252684 166356194 /nfs/dbraw/zinc/35/61/94/166356194.db2.gz GKCWTJKXTKUMDM-UHFFFAOYSA-N 1 0 244.338 2.021 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000172522258 166386537 /nfs/dbraw/zinc/38/65/37/166386537.db2.gz YFODQTUSXHEDFF-ZDUSSCGKSA-N 1 0 246.354 2.118 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000661378745 410594153 /nfs/dbraw/zinc/59/41/53/410594153.db2.gz LNRPRMQHGZVYTF-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCCO2)C1 ZINC000661378746 410594217 /nfs/dbraw/zinc/59/42/17/410594217.db2.gz LNRPRMQHGZVYTF-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000661380960 410597011 /nfs/dbraw/zinc/59/70/11/410597011.db2.gz RZJIARLEMHIZHF-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000661384282 410600788 /nfs/dbraw/zinc/60/07/88/410600788.db2.gz HZPDGKMPWJAFLH-OLZOCXBDSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2c(C)nnn2CC)C1 ZINC000661386894 410602791 /nfs/dbraw/zinc/60/27/91/410602791.db2.gz WCGVGTXZOAQVLX-CYBMUJFWSA-N 1 0 248.374 2.395 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)c2nccc(N)n2)C1 ZINC000661386292 410603262 /nfs/dbraw/zinc/60/32/62/410603262.db2.gz RGYSPIUERKRBQJ-NEPJUHHUSA-N 1 0 246.358 2.408 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000661385993 410603469 /nfs/dbraw/zinc/60/34/69/410603469.db2.gz QXSFOSAJXGKYIT-JTQLQIEISA-N 1 0 223.345 2.326 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC1CC[NH2+]CC1 ZINC000653273411 410544988 /nfs/dbraw/zinc/54/49/88/410544988.db2.gz AMRLDWXWVWYKCW-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000661387302 410604468 /nfs/dbraw/zinc/60/44/68/410604468.db2.gz XTWVVLNGXAZMLF-GFCCVEGCSA-N 1 0 219.332 2.240 20 30 BEEDRO C=CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000665237823 410727525 /nfs/dbraw/zinc/72/75/25/410727525.db2.gz KTGRJXHHCVMUAN-OCCSQVGLSA-N 1 0 218.344 2.111 20 30 BEEDRO C=CCCCCCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000655488623 410797184 /nfs/dbraw/zinc/79/71/84/410797184.db2.gz JFMYVYSZXUFMBB-CQSZACIVSA-N 1 0 238.375 2.381 20 30 BEEDRO CC[NH+](CC)CCCNc1ccc(C#N)cn1 ZINC000019517767 169776087 /nfs/dbraw/zinc/77/60/87/169776087.db2.gz CRIBZQKARFMHAS-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CC[NH+](CC)CCNc1ccc(C)c(C#N)n1 ZINC000302713414 169782566 /nfs/dbraw/zinc/78/25/66/169782566.db2.gz MCLPMNPXRZWHJJ-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1nc(C)ccc1C#N ZINC000041677053 169789263 /nfs/dbraw/zinc/78/92/63/169789263.db2.gz QKNNLISGYDKBCR-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000652016171 410974669 /nfs/dbraw/zinc/97/46/69/410974669.db2.gz UUFPNZAQTYDJEQ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)CCF ZINC000652019094 410999230 /nfs/dbraw/zinc/99/92/30/410999230.db2.gz JNZNYWNLTDGNDG-NEPJUHHUSA-N 1 0 217.328 2.431 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)CCF ZINC000652019095 410999496 /nfs/dbraw/zinc/99/94/96/410999496.db2.gz JNZNYWNLTDGNDG-NWDGAFQWSA-N 1 0 217.328 2.431 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1cccnc1C#N ZINC000290606699 169795884 /nfs/dbraw/zinc/79/58/84/169795884.db2.gz ZRPQUIWZRHUNOB-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C#CC[N@@H+](C)CCOc1ccc(SC)cc1 ZINC000192235819 411061555 /nfs/dbraw/zinc/06/15/55/411061555.db2.gz OSGGFYMPYQXCPC-UHFFFAOYSA-N 1 0 235.352 2.352 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cnc(C)s1 ZINC000651433370 411024216 /nfs/dbraw/zinc/02/42/16/411024216.db2.gz STVZRKSWMQKMOY-IEBDPFPHSA-N 1 0 238.356 2.446 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCn2ccnc2)C1 ZINC000651668783 411134272 /nfs/dbraw/zinc/13/42/72/411134272.db2.gz YZVNPUGVVZVXGP-QWHCGFSZSA-N 1 0 219.332 2.218 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000651674313 411134673 /nfs/dbraw/zinc/13/46/73/411134673.db2.gz KAHNFTSNXWPUTO-STQMWFEESA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(=O)NC(C)C)C1 ZINC000651674311 411134926 /nfs/dbraw/zinc/13/49/26/411134926.db2.gz KAHNFTSNXWPUTO-OLZOCXBDSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000651671720 411134957 /nfs/dbraw/zinc/13/49/57/411134957.db2.gz BLMZESIVAONSSD-MNOVXSKESA-N 1 0 205.305 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CC)CCO)C1 ZINC000651719374 411138532 /nfs/dbraw/zinc/13/85/32/411138532.db2.gz RSYVHHXZIBXKPH-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H](C)CO)C1 ZINC000651720444 411138673 /nfs/dbraw/zinc/13/86/73/411138673.db2.gz ZSNGEVASSSKCAT-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)COCCOC)C1 ZINC000651724798 411139099 /nfs/dbraw/zinc/13/90/99/411139099.db2.gz HFVDAGHTGHSYFV-MCIONIFRSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)COCCOC)C1 ZINC000651724800 411139310 /nfs/dbraw/zinc/13/93/10/411139310.db2.gz HFVDAGHTGHSYFV-MJBXVCDLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CCC2)C1 ZINC000651739156 411139744 /nfs/dbraw/zinc/13/97/44/411139744.db2.gz KRDSZDGAUROCAW-CHWSQXEVSA-N 1 0 208.349 2.027 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000044724232 411140015 /nfs/dbraw/zinc/14/00/15/411140015.db2.gz MURBUOVYHKCLCS-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C(=O)NC)C(C)C)C1 ZINC000651739976 411140044 /nfs/dbraw/zinc/14/00/44/411140044.db2.gz LZJPCNXWNHUYRD-UPJWGTAASA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000651740416 411140294 /nfs/dbraw/zinc/14/02/94/411140294.db2.gz ACFXGBYRIBIQGR-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](COC)CC(C)(C)C ZINC000651747344 411140879 /nfs/dbraw/zinc/14/08/79/411140879.db2.gz AKTMWRQRXYKGIV-QWHCGFSZSA-N 1 0 243.391 2.212 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc2c1CCC2 ZINC000651747887 411141191 /nfs/dbraw/zinc/14/11/91/411141191.db2.gz SVNNKHGJGHMCKD-ZDUSSCGKSA-N 1 0 245.366 2.450 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc2c1CCC2 ZINC000651757778 411141681 /nfs/dbraw/zinc/14/16/81/411141681.db2.gz CMYKCBXUQGOBCN-UHFFFAOYSA-N 1 0 231.339 2.468 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000651761161 411142178 /nfs/dbraw/zinc/14/21/78/411142178.db2.gz GRYFPUMJHZDZAX-JHJVBQTASA-N 1 0 209.333 2.258 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)C1 ZINC000651783641 411143524 /nfs/dbraw/zinc/14/35/24/411143524.db2.gz KNNRBSXALCGONM-YIYPIFLZSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H](C(=O)NC)C(C)C)C1 ZINC000651788678 411143762 /nfs/dbraw/zinc/14/37/62/411143762.db2.gz LZJPCNXWNHUYRD-XQQFMLRXSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CC(F)F)C1 ZINC000651786325 411143832 /nfs/dbraw/zinc/14/38/32/411143832.db2.gz RSTOFRGBMNNLJP-VWYCJHECSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC[C@@H](C)O)C1 ZINC000651789689 411144006 /nfs/dbraw/zinc/14/40/06/411144006.db2.gz VPTSJZHTRWBHMP-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000651824631 411145589 /nfs/dbraw/zinc/14/55/89/411145589.db2.gz WDOCMRMFKVGYTC-RQJABVFESA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc2cnccc2o1 ZINC000651824222 411145703 /nfs/dbraw/zinc/14/57/03/411145703.db2.gz KRVBEVDZSQOCJJ-LBPRGKRZSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000651824630 411145718 /nfs/dbraw/zinc/14/57/18/411145718.db2.gz WDOCMRMFKVGYTC-RFGFWPKPSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(N(C)C)CC2)C1 ZINC000651833194 411146960 /nfs/dbraw/zinc/14/69/60/411146960.db2.gz TVBJSQGPSJNHBQ-CHWSQXEVSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(OC)CC2)C1 ZINC000651833893 411147060 /nfs/dbraw/zinc/14/70/60/411147060.db2.gz TWQGIFFYMIZFCY-JSGCOSHPSA-N 1 0 238.375 2.347 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCO ZINC000657893290 411156345 /nfs/dbraw/zinc/15/63/45/411156345.db2.gz WZCCGUKMUDPUAE-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1ccc(C)c(C#N)n1 ZINC000302609283 169800754 /nfs/dbraw/zinc/80/07/54/169800754.db2.gz DQVJFHJFYQPIPI-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C ZINC000657896308 411158091 /nfs/dbraw/zinc/15/80/91/411158091.db2.gz SZRALBOSWFYILU-NWDGAFQWSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncnn1C ZINC000657896309 411158109 /nfs/dbraw/zinc/15/81/09/411158109.db2.gz SZRALBOSWFYILU-RYUDHWBXSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000657897780 411158895 /nfs/dbraw/zinc/15/88/95/411158895.db2.gz INKVYHVUPGRACV-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661692989 411161113 /nfs/dbraw/zinc/16/11/13/411161113.db2.gz JRGKZTGYLJUOPP-STQMWFEESA-N 1 0 229.339 2.385 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045094 411093789 /nfs/dbraw/zinc/09/37/89/411093789.db2.gz ZEVAYUKSYPBBMI-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@H](C)CCO)c1 ZINC000652046041 411096542 /nfs/dbraw/zinc/09/65/42/411096542.db2.gz LLQZIIJEHNYCTM-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661633614 411111859 /nfs/dbraw/zinc/11/18/59/411111859.db2.gz WNWIQJBKKPUAQB-ZDUSSCGKSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648517460 411172273 /nfs/dbraw/zinc/17/22/73/411172273.db2.gz JUBVOVHNZUWKOK-HOTGVXAUSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@H](O)COC ZINC000657936346 411173524 /nfs/dbraw/zinc/17/35/24/411173524.db2.gz QAGQHCFKKDKKOU-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657938910 411174608 /nfs/dbraw/zinc/17/46/08/411174608.db2.gz RMTJSJIBCVZJGW-UWVGGRQHSA-N 1 0 235.318 2.440 20 30 BEEDRO C=CCC[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000653799113 411184064 /nfs/dbraw/zinc/18/40/64/411184064.db2.gz MJOZTLDSZYHGFI-UHFFFAOYSA-N 1 0 247.342 2.204 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCN2CCC2)C1 ZINC000655754383 411184332 /nfs/dbraw/zinc/18/43/32/411184332.db2.gz PBUVNUCNZVIENX-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCN2CCC2)C1 ZINC000655754381 411184549 /nfs/dbraw/zinc/18/45/49/411184549.db2.gz PBUVNUCNZVIENX-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCc2occc21 ZINC000328060560 411244546 /nfs/dbraw/zinc/24/45/46/411244546.db2.gz BGJXEOKOOKJJPL-AWEZNQCLSA-N 1 0 246.354 2.202 20 30 BEEDRO COCC#CC[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000653872111 411202880 /nfs/dbraw/zinc/20/28/80/411202880.db2.gz PDNLTOCNJYAILT-LLVKDONJSA-N 1 0 245.313 2.440 20 30 BEEDRO C=CCOCC[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000653874009 411203679 /nfs/dbraw/zinc/20/36/79/411203679.db2.gz ZKJXACHUKPVRIG-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CCCn1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424190779 411245506 /nfs/dbraw/zinc/24/55/06/411245506.db2.gz GMAXKYBYZYLTFG-WCQYABFASA-N 1 0 232.331 2.075 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCn2nccc21 ZINC000658029479 411207044 /nfs/dbraw/zinc/20/70/44/411207044.db2.gz JMVNTGKKCHGSBA-BZPMIXESSA-N 1 0 247.342 2.041 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000658030159 411207929 /nfs/dbraw/zinc/20/79/29/411207929.db2.gz OUJPAQSHSFRGLS-UTUOFQBUSA-N 1 0 227.373 2.205 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCSCC1 ZINC000658031944 411210545 /nfs/dbraw/zinc/21/05/45/411210545.db2.gz KTIUTHWPXYFKOT-NWDGAFQWSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](CC)C(=O)NC ZINC000658032771 411211648 /nfs/dbraw/zinc/21/16/48/411211648.db2.gz VCNPMUSPBCJDTL-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(F)ccc1OC ZINC000310120816 411213990 /nfs/dbraw/zinc/21/39/90/411213990.db2.gz DNZDVLDWNXIDOO-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)Cn1cncn1 ZINC000658046445 411217527 /nfs/dbraw/zinc/21/75/27/411217527.db2.gz LECBJQVEZKCXPB-GFCCVEGCSA-N 1 0 222.336 2.003 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@](C)(CO)OC ZINC000658049011 411218063 /nfs/dbraw/zinc/21/80/63/411218063.db2.gz ZXNNNBVFJITQOJ-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO CC#CC[N@@H+]1C[C@H](C)OC2(CCCCC2)C1 ZINC000653903265 411219039 /nfs/dbraw/zinc/21/90/39/411219039.db2.gz CEVKABZGRWFVBW-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@]12COC[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC000661703291 411219420 /nfs/dbraw/zinc/21/94/20/411219420.db2.gz JUGRZNUSBSTMEN-CVEARBPZSA-N 1 0 241.334 2.006 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000656268519 411222786 /nfs/dbraw/zinc/22/27/86/411222786.db2.gz DQMPXDZZAZMNCL-CYBMUJFWSA-N 1 0 248.374 2.261 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000658070942 411232003 /nfs/dbraw/zinc/23/20/03/411232003.db2.gz BEPQHJMHAFTYNE-IGQOVBAYSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000658113169 411247533 /nfs/dbraw/zinc/24/75/33/411247533.db2.gz DJULMDHIVDTDNL-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](COC)CC1CCOCC1 ZINC000657917826 411165872 /nfs/dbraw/zinc/16/58/72/411165872.db2.gz FJTLGMIZOVQWEA-GXTWGEPZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000657919859 411166728 /nfs/dbraw/zinc/16/67/28/411166728.db2.gz XTFKYZMJKOXQQO-GHMZBOCLSA-N 1 0 205.305 2.272 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528760272 411242311 /nfs/dbraw/zinc/24/23/11/411242311.db2.gz RNWHHKOYYUJCQL-JCIQBVFBSA-N 1 0 210.321 2.080 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000658159502 411272503 /nfs/dbraw/zinc/27/25/03/411272503.db2.gz KFOJSWYMPMTCPM-SRVKXCTJSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1(CO)CC1 ZINC000658159504 411272537 /nfs/dbraw/zinc/27/25/37/411272537.db2.gz KFOJSWYMPMTCPM-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(CC)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000656452806 411275179 /nfs/dbraw/zinc/27/51/79/411275179.db2.gz ACXFKMMVJOZEGL-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=C(CC)Cn1cc([C@H]([NH3+])CCC)nn1 ZINC000656453471 411276363 /nfs/dbraw/zinc/27/63/63/411276363.db2.gz MLXXPZCAZWCYES-SNVBAGLBSA-N 1 0 208.309 2.044 20 30 BEEDRO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553205 411278315 /nfs/dbraw/zinc/27/83/15/411278315.db2.gz UTBWWDXSLKOZIY-XQQFMLRXSA-N 1 0 249.383 2.400 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cn(CC)nn1 ZINC000658176998 411283181 /nfs/dbraw/zinc/28/31/81/411283181.db2.gz QNUGGRADKZIJJM-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC ZINC000658190130 411286004 /nfs/dbraw/zinc/28/60/04/411286004.db2.gz OQPXTUMHQLNBHA-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185820814 411292137 /nfs/dbraw/zinc/29/21/37/411292137.db2.gz BIXQWLZNDXJRGC-NEPJUHHUSA-N 1 0 205.305 2.352 20 30 BEEDRO C=CCOCCC[NH2+][C@H](COC)C1CCCC1 ZINC000658205566 411292793 /nfs/dbraw/zinc/29/27/93/411292793.db2.gz IWXKLHRFCXUXTG-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000658207267 411293322 /nfs/dbraw/zinc/29/33/22/411293322.db2.gz UCWCCPYPNVELHW-GFCCVEGCSA-N 1 0 237.347 2.054 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000658207064 411293349 /nfs/dbraw/zinc/29/33/49/411293349.db2.gz SCEZUMOHEMUSRF-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+]C1CC(CF)(CF)C1 ZINC000658207248 411293558 /nfs/dbraw/zinc/29/35/58/411293558.db2.gz TVQRDWZOZIRGKN-UHFFFAOYSA-N 1 0 233.302 2.257 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658251323 411312878 /nfs/dbraw/zinc/31/28/78/411312878.db2.gz GPDVGXBBAMPSPJ-ZDEQEGDKSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CCC1([NH2+]CCn2ccnc2)CCCC1 ZINC000661851900 411319164 /nfs/dbraw/zinc/31/91/64/411319164.db2.gz HWLYIJDYQDIUIJ-UHFFFAOYSA-N 1 0 219.332 2.362 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000658116995 411249336 /nfs/dbraw/zinc/24/93/36/411249336.db2.gz PVICQCLMKZTPLP-SECBINFHSA-N 1 0 205.305 2.320 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655773760 411254856 /nfs/dbraw/zinc/25/48/56/411254856.db2.gz GPBXIWSABAOUOW-UTUOFQBUSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655771789 411254946 /nfs/dbraw/zinc/25/49/46/411254946.db2.gz FTCBVAZBRHYYRI-QCNOEVLYSA-N 1 0 227.373 2.204 20 30 BEEDRO C=CCC[C@@H]([NH2+]C/C=C/CO)c1ccco1 ZINC000658132759 411256878 /nfs/dbraw/zinc/25/68/78/411256878.db2.gz BIQLJJBONKOSHF-ZYOFXKKJSA-N 1 0 221.300 2.425 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654065127 411326847 /nfs/dbraw/zinc/32/68/47/411326847.db2.gz DYNHQNYZFVAXDH-RWMBFGLXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348874 411350009 /nfs/dbraw/zinc/35/00/09/411350009.db2.gz SROZRRALVNAIOG-CYDGBPFRSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)C[NH2+]C(C)C ZINC000659331831 411361490 /nfs/dbraw/zinc/36/14/90/411361490.db2.gz QZJPBTUBKQUBME-STQMWFEESA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000659017292 411367819 /nfs/dbraw/zinc/36/78/19/411367819.db2.gz HCQJKBMUTBBVGT-UHFFFAOYSA-N 1 0 245.326 2.030 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C(C)C)ccc1OC ZINC000662168445 411372073 /nfs/dbraw/zinc/37/20/73/411372073.db2.gz GXXFUUXEEACRHB-CQSZACIVSA-N 1 0 249.354 2.455 20 30 BEEDRO C=CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000656703243 411339863 /nfs/dbraw/zinc/33/98/63/411339863.db2.gz PJYLLIVSSHULGK-UHFFFAOYSA-N 1 0 236.290 2.320 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000656705427 411341394 /nfs/dbraw/zinc/34/13/94/411341394.db2.gz QMLSQHQTRITLME-AWEZNQCLSA-N 1 0 219.328 2.146 20 30 BEEDRO CC1(C)[C@@H]([NH2+]Cc2ccc(C#N)o2)[C@H]2CCO[C@@H]21 ZINC000174424946 167996647 /nfs/dbraw/zinc/99/66/47/167996647.db2.gz KPMNVPWVEWEGQQ-AGIUHOORSA-N 1 0 246.310 2.054 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000658334876 411343314 /nfs/dbraw/zinc/34/33/14/411343314.db2.gz WIVYTMRWCDCEHN-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000335602568 168045943 /nfs/dbraw/zinc/04/59/43/168045943.db2.gz JBWQXAJCPGIGEJ-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CC1=CCC[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000281867963 168099641 /nfs/dbraw/zinc/09/96/41/168099641.db2.gz UKIGUFXVWULTHJ-UHFFFAOYSA-N 1 0 215.300 2.049 20 30 BEEDRO C=C1CC[NH+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659908354 411379471 /nfs/dbraw/zinc/37/94/71/411379471.db2.gz HRDOYDPUEISDOF-HZSPNIEDSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC1 ZINC000659908327 411379559 /nfs/dbraw/zinc/37/95/59/411379559.db2.gz HRDOYDPUEISDOF-BFHYXJOUSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)CCCc1cccnc1 ZINC000656829213 411379909 /nfs/dbraw/zinc/37/99/09/411379909.db2.gz XPYPTCWELGETAK-UKRRQHHQSA-N 1 0 248.370 2.319 20 30 BEEDRO CC1CC[NH+](CCNc2cnccc2C#N)CC1 ZINC000135788962 168181451 /nfs/dbraw/zinc/18/14/51/168181451.db2.gz QAAYDDCMPYQJTF-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1CC[NH+](CCNc2cccc(C#N)n2)CC1 ZINC000080117827 168181554 /nfs/dbraw/zinc/18/15/54/168181554.db2.gz YHCMPIWYIBLYIM-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CCC(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189993672 168282235 /nfs/dbraw/zinc/28/22/35/168282235.db2.gz OBYNSJYWBCTJDA-UHFFFAOYSA-N 1 0 219.332 2.423 20 30 BEEDRO CCC(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000308583285 168298627 /nfs/dbraw/zinc/29/86/27/168298627.db2.gz HLCBSEZPASJBPM-UHFFFAOYSA-N 1 0 209.318 2.293 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000491661962 411395359 /nfs/dbraw/zinc/39/53/59/411395359.db2.gz BJLDHCXYDGOGBF-STQMWFEESA-N 1 0 233.359 2.396 20 30 BEEDRO CC(C)COCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397626868 411399171 /nfs/dbraw/zinc/39/91/71/411399171.db2.gz MXFGVUPVNHDHJT-ZDUSSCGKSA-N 1 0 224.348 2.285 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000653052198 411406151 /nfs/dbraw/zinc/40/61/51/411406151.db2.gz XTZBXSUZNUYVKG-AGIUHOORSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCn1cc(C[N@H+](CC)CC2CC2)nn1 ZINC000653555675 411420640 /nfs/dbraw/zinc/42/06/40/411420640.db2.gz ORQDZALBKMWDCL-UHFFFAOYSA-N 1 0 234.347 2.086 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@H]2CC)nn1 ZINC000653562270 411421696 /nfs/dbraw/zinc/42/16/96/411421696.db2.gz LQGVPAJGKBXZQC-TZMCWYRMSA-N 1 0 248.374 2.475 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000657237223 411423787 /nfs/dbraw/zinc/42/37/87/411423787.db2.gz LJWQAVSAVZIKDK-RWMBFGLXSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@H](C)C2(C)CC2)nn1 ZINC000653567437 411423839 /nfs/dbraw/zinc/42/38/39/411423839.db2.gz IMMLBQFJBKXKNM-GFCCVEGCSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)nn1 ZINC000653568507 411423862 /nfs/dbraw/zinc/42/38/62/411423862.db2.gz YPPXHFKZSNLUDL-STQMWFEESA-N 1 0 246.358 2.086 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655733669 411441658 /nfs/dbraw/zinc/44/16/58/411441658.db2.gz PHFXGWKERRWEII-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CC[NH2+]Cc1ccc(O[C@H](C)COC)cc1 ZINC000657287048 411446507 /nfs/dbraw/zinc/44/65/07/411446507.db2.gz GRYIZVGZUBNVJK-GFCCVEGCSA-N 1 0 235.327 2.376 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)nn1 ZINC000653625679 411450559 /nfs/dbraw/zinc/45/05/59/411450559.db2.gz MPWZDGZUWAAVOD-TZMCWYRMSA-N 1 0 246.358 2.229 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCC2=CCCC2)nn1 ZINC000657414853 411498674 /nfs/dbraw/zinc/49/86/74/411498674.db2.gz DVVQCJWXKXEPIB-UHFFFAOYSA-N 1 0 246.358 2.444 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000266530191 411503101 /nfs/dbraw/zinc/50/31/01/411503101.db2.gz LVDJRPAWHACXSV-VXGBXAGGSA-N 1 0 232.327 2.322 20 30 BEEDRO C=CCCC[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000659940923 411504195 /nfs/dbraw/zinc/50/41/95/411504195.db2.gz JLFQYBAMYRGNIS-JTQLQIEISA-N 1 0 219.275 2.309 20 30 BEEDRO C=CCCC[N@@H+](C)CCCC(=O)NCC(C)C ZINC000659941308 411504955 /nfs/dbraw/zinc/50/49/55/411504955.db2.gz MVJVBMJBQGAQKA-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(OC)no1 ZINC000659942922 411505944 /nfs/dbraw/zinc/50/59/44/411505944.db2.gz YSPAJNRVOSGSJZ-UHFFFAOYSA-N 1 0 210.277 2.081 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H]1CCN(CC)C1=O ZINC000659946750 411507369 /nfs/dbraw/zinc/50/73/69/411507369.db2.gz IXXMIAWBUDDFFP-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnn2c1CCC2 ZINC000657455935 411515906 /nfs/dbraw/zinc/51/59/06/411515906.db2.gz OARDCSKXFDNKPP-LBPRGKRZSA-N 1 0 219.332 2.274 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)nn1 ZINC000657456933 411520455 /nfs/dbraw/zinc/52/04/55/411520455.db2.gz BVTIJHZYTTUPNP-CHWSQXEVSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cncnc1OC ZINC000655825266 411527477 /nfs/dbraw/zinc/52/74/77/411527477.db2.gz BKCVBNCDDASHOB-UHFFFAOYSA-N 1 0 235.331 2.321 20 30 BEEDRO CC[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000072713494 170126659 /nfs/dbraw/zinc/12/66/59/170126659.db2.gz YBFYYXPUPOGAJW-UHFFFAOYSA-N 1 0 217.316 2.146 20 30 BEEDRO C=CCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000657583129 411554446 /nfs/dbraw/zinc/55/44/46/411554446.db2.gz BSHPQQJSEZMWLZ-UHFFFAOYSA-N 1 0 215.247 2.023 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000657582726 411554511 /nfs/dbraw/zinc/55/45/11/411554511.db2.gz BXNNWKOAPAJAOM-UHFFFAOYSA-N 1 0 244.338 2.245 20 30 BEEDRO C=CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000657583183 411554533 /nfs/dbraw/zinc/55/45/33/411554533.db2.gz FRJGEYDUQIONKI-UHFFFAOYSA-N 1 0 207.321 2.438 20 30 BEEDRO C=CCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000657583097 411554603 /nfs/dbraw/zinc/55/46/03/411554603.db2.gz ZIGUWOSHSIDDMR-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C=CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000657583438 411554909 /nfs/dbraw/zinc/55/49/09/411554909.db2.gz KXHYAYGYAOAVIH-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C=CCC[NH2+]Cc1cc2cccnc2o1 ZINC000657583791 411554997 /nfs/dbraw/zinc/55/49/97/411554997.db2.gz QFDXLGGOVPZEKJ-UHFFFAOYSA-N 1 0 202.257 2.494 20 30 BEEDRO C=CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000657584112 411555219 /nfs/dbraw/zinc/55/52/19/411555219.db2.gz YEWFERSLWBEGGK-UHFFFAOYSA-N 1 0 237.372 2.278 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H]1CN(C)C ZINC001172507116 974862342 /nfs/dbraw/zinc/86/23/42/974862342.db2.gz PGTYXYOSWOSMCR-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CCC1([NH2+]Cc2cscn2)CCOCC1 ZINC000657633164 411567038 /nfs/dbraw/zinc/56/70/38/411567038.db2.gz JNFIUMFXMKNTDN-UHFFFAOYSA-N 1 0 238.356 2.358 20 30 BEEDRO C=CCC1([NH2+]Cc2ccccn2)CCOCC1 ZINC000657633283 411567106 /nfs/dbraw/zinc/56/71/06/411567106.db2.gz SSKSOBHZICBNDP-UHFFFAOYSA-N 1 0 232.327 2.297 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccccc1OC ZINC000657656826 411571585 /nfs/dbraw/zinc/57/15/85/411571585.db2.gz LIQIEHCZSWHFKP-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCOCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000657657912 411571785 /nfs/dbraw/zinc/57/17/85/411571785.db2.gz FYRSTPCCSHUSND-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ncc(CC)s1 ZINC000657658458 411572249 /nfs/dbraw/zinc/57/22/49/411572249.db2.gz YZLCOKXYOVBMRP-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO C=CCOCCC[NH2+]CC1(OC)CCCC1 ZINC000657659007 411572389 /nfs/dbraw/zinc/57/23/89/411572389.db2.gz NNYJTZJHFUJKNH-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000657658714 411572535 /nfs/dbraw/zinc/57/25/35/411572535.db2.gz AVEWCLHZXMRYPU-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO CCOC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000166952843 170312617 /nfs/dbraw/zinc/31/26/17/170312617.db2.gz GXNYDTXPZFGXAY-UHFFFAOYSA-N 1 0 222.288 2.056 20 30 BEEDRO CCOCC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336757119 170352677 /nfs/dbraw/zinc/35/26/77/170352677.db2.gz HNDBWIUSGMKHBL-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOCCF)C1 ZINC000663338303 411629722 /nfs/dbraw/zinc/62/97/22/411629722.db2.gz GIHCSPGJNUNIJS-RYUDHWBXSA-N 1 0 215.312 2.307 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](OC)C1CCCC1 ZINC000660403100 411579983 /nfs/dbraw/zinc/57/99/83/411579983.db2.gz OAYPPWMQMVBWGL-CQSZACIVSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2CC(C)(C)C2)nn1 ZINC000657801682 411599453 /nfs/dbraw/zinc/59/94/53/411599453.db2.gz CAPRIPOWEXVDRV-UHFFFAOYSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000657823522 411606883 /nfs/dbraw/zinc/60/68/83/411606883.db2.gz MJZBFTZCFXTMIO-QWHCGFSZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCC ZINC000657824269 411607881 /nfs/dbraw/zinc/60/78/81/411607881.db2.gz FNUHGJJAJUXZQH-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCC(=O)NC ZINC000657857256 411612738 /nfs/dbraw/zinc/61/27/38/411612738.db2.gz YOPVMLLWGGXMME-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC000661114073 411712742 /nfs/dbraw/zinc/71/27/42/411712742.db2.gz CSXRAWPLMIWSOI-UONOGXRCSA-N 1 0 221.344 2.361 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000661113879 411713104 /nfs/dbraw/zinc/71/31/04/411713104.db2.gz BULLHWXMEFNYHP-RYUDHWBXSA-N 1 0 234.347 2.338 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000661116514 411714628 /nfs/dbraw/zinc/71/46/28/411714628.db2.gz YQXTYOAERJKZEN-MQYQWHSLSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCOCCF ZINC000663463751 411664670 /nfs/dbraw/zinc/66/46/70/411664670.db2.gz NWQNVOLSIIYRRP-LLVKDONJSA-N 1 0 203.301 2.307 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661091369 411701536 /nfs/dbraw/zinc/70/15/36/411701536.db2.gz GJAIXKXZTCGIPG-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000661205463 411732798 /nfs/dbraw/zinc/73/27/98/411732798.db2.gz XJUPJQHORMMDCO-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000661218836 411733773 /nfs/dbraw/zinc/73/37/73/411733773.db2.gz LFDFRKRLPFBONI-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@H+](Cc1ccccn1)[C@@H](C)COC ZINC000661244575 411742328 /nfs/dbraw/zinc/74/23/28/411742328.db2.gz WCVXNQRXXCFWHQ-LBPRGKRZSA-N 1 0 220.316 2.105 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCCC(=O)N(C)C)C1 ZINC000661384951 411753839 /nfs/dbraw/zinc/75/38/39/411753839.db2.gz MJBLXBQLRIIKPB-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C2CCC2)CC1 ZINC000661374114 411758983 /nfs/dbraw/zinc/75/89/83/411758983.db2.gz IZRRZDMNNBTRSL-CQSZACIVSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000661378715 411760302 /nfs/dbraw/zinc/76/03/02/411760302.db2.gz KYEIMTKSHFYEAG-GFCCVEGCSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000661378880 411760339 /nfs/dbraw/zinc/76/03/39/411760339.db2.gz NSAKUZLZRSEDEK-UONOGXRCSA-N 1 0 241.375 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C=CCCCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661709076 411851581 /nfs/dbraw/zinc/85/15/81/411851581.db2.gz OQGJMKAWTAPBCS-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)COC(C)C)C(C)(C)C ZINC000661755137 411859870 /nfs/dbraw/zinc/85/98/70/411859870.db2.gz KWRYBFGJPVLHCO-GFCCVEGCSA-N 1 0 229.364 2.059 20 30 BEEDRO CC#CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661869477 411911006 /nfs/dbraw/zinc/91/10/06/411911006.db2.gz YHDMCZCQDIVBLJ-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662064636 411968454 /nfs/dbraw/zinc/96/84/54/411968454.db2.gz DLXFMOHSJHGPCF-OAHLLOKOSA-N 1 0 247.338 2.342 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1cccn1 ZINC000662080256 411979583 /nfs/dbraw/zinc/97/95/83/411979583.db2.gz OGNDJYBUCKTMHL-BETUJISGSA-N 1 0 217.316 2.066 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CCC ZINC000662088618 411982748 /nfs/dbraw/zinc/98/27/48/411982748.db2.gz KPDZWCJAUYSVBM-FRRDWIJNSA-N 1 0 209.333 2.330 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccnn1C ZINC000662091375 411984589 /nfs/dbraw/zinc/98/45/89/411984589.db2.gz XHCMBOIYXRHDOT-OKILXGFUSA-N 1 0 231.343 2.146 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCc1ccc(Cl)cc1 ZINC000662165370 412014673 /nfs/dbraw/zinc/01/46/73/412014673.db2.gz DLHGHCXSDBNALV-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000662265345 412057925 /nfs/dbraw/zinc/05/79/25/412057925.db2.gz XELWASYYJNOXAM-NSHDSACASA-N 1 0 209.358 2.393 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000091929929 171011522 /nfs/dbraw/zinc/01/15/22/171011522.db2.gz TWLHYLKZIYTCGH-SNVBAGLBSA-N 1 0 204.273 2.383 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@@H]1O ZINC000270839118 171094205 /nfs/dbraw/zinc/09/42/05/171094205.db2.gz DVOWMMIDNYRCIF-LNSITVRQSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000189618739 171213482 /nfs/dbraw/zinc/21/34/82/171213482.db2.gz JMKCVQRQBYFZOY-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1nc(C)ccc1C#N ZINC000218092882 171307739 /nfs/dbraw/zinc/30/77/39/171307739.db2.gz MRMOZQDTQRNIIN-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)nc(C#N)c1 ZINC000308260305 171308490 /nfs/dbraw/zinc/30/84/90/171308490.db2.gz BCPXLMDLEWSHCZ-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000267144848 171314456 /nfs/dbraw/zinc/31/44/56/171314456.db2.gz JTLTXTUMPKZXRI-LBPRGKRZSA-N 1 0 232.327 2.151 20 30 BEEDRO C=C(CC)C[N@@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662297704 412084872 /nfs/dbraw/zinc/08/48/72/412084872.db2.gz IUNDTTQJJOJGMP-UHFFFAOYSA-N 1 0 244.338 2.110 20 30 BEEDRO CC[C@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292125407 171320127 /nfs/dbraw/zinc/32/01/27/171320127.db2.gz IGNFIBIRSXAXOJ-AAEUAGOBSA-N 1 0 245.326 2.205 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662368960 412127659 /nfs/dbraw/zinc/12/76/59/412127659.db2.gz IUDJOGGJTCGZQK-NSHDSACASA-N 1 0 219.275 2.309 20 30 BEEDRO CC[C@H](CSC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189598328 171465411 /nfs/dbraw/zinc/46/54/11/171465411.db2.gz GJYVAFPJZVSBJJ-LLVKDONJSA-N 1 0 237.372 2.128 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cccc(F)c2)CCC[NH2+]1 ZINC000662431848 412168278 /nfs/dbraw/zinc/16/82/78/412168278.db2.gz ITIDEBNUFQYFAU-CQSZACIVSA-N 1 0 248.301 2.463 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](CC)C[C@H]1CCCO1 ZINC000662695891 412274887 /nfs/dbraw/zinc/27/48/87/412274887.db2.gz WXZLKAMFPGTEHT-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288402 412233349 /nfs/dbraw/zinc/23/33/49/412233349.db2.gz MBHJRRXBKVUSOS-OLZOCXBDSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665290294 412235954 /nfs/dbraw/zinc/23/59/54/412235954.db2.gz SIAPPVZLGSCEBZ-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC[C@H](C)[NH3+] ZINC000662603658 412236656 /nfs/dbraw/zinc/23/66/56/412236656.db2.gz YTONDHXZNSGVFT-XQQFMLRXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC1(CNC(=O)C[C@@H](C)[NH3+])CCCC1 ZINC000662620506 412244502 /nfs/dbraw/zinc/24/45/02/412244502.db2.gz KRNXOWOFLNTOCW-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000662629109 412248890 /nfs/dbraw/zinc/24/88/90/412248890.db2.gz ZTJRTRVQKPGGSK-CYBMUJFWSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)c2coc(C[NH3+])c2)C1 ZINC000662631112 412249826 /nfs/dbraw/zinc/24/98/26/412249826.db2.gz PMKGHCPNFIVNEG-NSHDSACASA-N 1 0 248.326 2.167 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000662635929 412252636 /nfs/dbraw/zinc/25/26/36/412252636.db2.gz PDCGPFCUGLNNAC-CHWSQXEVSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@](C)([NH3+])CCC)C1 ZINC000662637869 412252927 /nfs/dbraw/zinc/25/29/27/412252927.db2.gz ZLLXFVNQMJJAME-TZMCWYRMSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662828455 412313708 /nfs/dbraw/zinc/31/37/08/412313708.db2.gz VQFPVMCJGIZOQF-UHFFFAOYSA-N 1 0 242.322 2.082 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)CC1([NH3+])CC1 ZINC000662843748 412318394 /nfs/dbraw/zinc/31/83/94/412318394.db2.gz VKLSFHIFSNKZCO-NWDGAFQWSA-N 1 0 236.359 2.119 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CC1CC[NH2+]CC1 ZINC000662953089 412353933 /nfs/dbraw/zinc/35/39/33/412353933.db2.gz JFQBPLYJZZAVFZ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccc(C)nc2)CCC[NH2+]1 ZINC000662787577 412303268 /nfs/dbraw/zinc/30/32/68/412303268.db2.gz DCQMHNQXFSSHIW-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO CCn1ccnc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000296339293 172224513 /nfs/dbraw/zinc/22/45/13/172224513.db2.gz HTCSFSRUUAHNBX-RYUDHWBXSA-N 1 0 232.331 2.075 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000277182392 172524125 /nfs/dbraw/zinc/52/41/25/172524125.db2.gz NSNFLCGCIUEJAS-CQSZACIVSA-N 1 0 243.354 2.479 20 30 BEEDRO C[NH2+]CCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000054244767 173357025 /nfs/dbraw/zinc/35/70/25/173357025.db2.gz AJGCKOGHEJJXFJ-UHFFFAOYSA-N 1 0 243.232 2.208 20 30 BEEDRO COC1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000269414176 174029277 /nfs/dbraw/zinc/02/92/77/174029277.db2.gz JXGPJUUMPLLUCG-UHFFFAOYSA-N 1 0 247.313 2.288 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C#N)c(C)c2)CC1 ZINC000335753115 174030670 /nfs/dbraw/zinc/03/06/70/174030670.db2.gz YUROSRZUXSIMJU-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO COC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000037250366 174031344 /nfs/dbraw/zinc/03/13/44/174031344.db2.gz SGYAOGXAUDWSJQ-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO COCC(C)(C)[N@H+](C)Cc1ccccc1C#N ZINC000292374432 174079691 /nfs/dbraw/zinc/07/96/91/174079691.db2.gz REGODWIJUXUZNW-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000066996019 174083121 /nfs/dbraw/zinc/08/31/21/174083121.db2.gz BZGNNPJHHYYLMB-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO COCC1(C#N)CC[NH+](CCCCCF)CC1 ZINC000341988180 174083662 /nfs/dbraw/zinc/08/36/62/174083662.db2.gz HOTHVNJZFCMXCV-UHFFFAOYSA-N 1 0 242.338 2.378 20 30 BEEDRO COCC1=CC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000185816233 174117880 /nfs/dbraw/zinc/11/78/80/174117880.db2.gz KBSZZFSLJQEXOP-UHFFFAOYSA-N 1 0 242.322 2.337 20 30 BEEDRO COCCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000020142325 174249708 /nfs/dbraw/zinc/24/97/08/174249708.db2.gz WDDZUBYFYWHULQ-NSHDSACASA-N 1 0 218.300 2.245 20 30 BEEDRO COCC[N@H+](C)[C@H](C)c1ccc(C#N)cc1 ZINC000299386558 174284264 /nfs/dbraw/zinc/28/42/64/174284264.db2.gz PWEPMNBWAQZVLS-LLVKDONJSA-N 1 0 218.300 2.197 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000263846579 174816494 /nfs/dbraw/zinc/81/64/94/174816494.db2.gz ZRDGEUUIJFCRJL-LLVKDONJSA-N 1 0 218.300 2.073 20 30 BEEDRO COc1cc(C[NH2+]C2CCC2)ccc1C#N ZINC000234902073 174982989 /nfs/dbraw/zinc/98/29/89/174982989.db2.gz GZTLOUINFUDNHV-UHFFFAOYSA-N 1 0 216.284 2.209 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)cc1F ZINC000258844549 175106589 /nfs/dbraw/zinc/10/65/89/175106589.db2.gz CRYUAODSIMTAEK-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1C#N ZINC000189123931 175109304 /nfs/dbraw/zinc/10/93/04/175109304.db2.gz SHHUVLDBSSHLMZ-WDEREUQCSA-N 1 0 248.326 2.080 20 30 BEEDRO COc1ccc(C[NH2+][C@H](C)C2CC2)cc1C#N ZINC000087822960 175111712 /nfs/dbraw/zinc/11/17/12/175111712.db2.gz SRBOUBZJFDLDCN-SNVBAGLBSA-N 1 0 230.311 2.455 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(C#N)s1 ZINC000295136170 175676102 /nfs/dbraw/zinc/67/61/02/175676102.db2.gz PFTSTHZBOXPMMT-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1cccc(C#N)c1 ZINC000289749529 175885371 /nfs/dbraw/zinc/88/53/71/175885371.db2.gz KZLFQHCKLFGEKC-LLVKDONJSA-N 1 0 240.310 2.175 20 30 BEEDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccc(C#N)cc1 ZINC000038005767 175904207 /nfs/dbraw/zinc/90/42/07/175904207.db2.gz VQGSAHHCEQHTCR-SNVBAGLBSA-N 1 0 226.283 2.132 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286609310 176012848 /nfs/dbraw/zinc/01/28/48/176012848.db2.gz RMYMVUZQABKCNI-NILFDRSVSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@@H](O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000187720041 176016797 /nfs/dbraw/zinc/01/67/97/176016797.db2.gz UUWPFPTVVKNILC-ZOWXZIJZSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000187698505 176017342 /nfs/dbraw/zinc/01/73/42/176017342.db2.gz JPVZSOXJFWYHOP-SWLSCSKDSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000034673926 176100120 /nfs/dbraw/zinc/10/01/20/176100120.db2.gz ZKKBGBXJNJDBPK-DOMZBBRYSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000040718166 176175201 /nfs/dbraw/zinc/17/52/01/176175201.db2.gz JFWVOSQGDRWXLX-LLVKDONJSA-N 1 0 200.285 2.400 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccc(C#N)cc1 ZINC000334458193 176303426 /nfs/dbraw/zinc/30/34/26/176303426.db2.gz QSHOIDQFBIGWSY-CHWSQXEVSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)c2ccc(F)cc2)N1 ZINC000262687837 176321707 /nfs/dbraw/zinc/32/17/07/176321707.db2.gz ZDNFNRSRYSZHBC-SNVBAGLBSA-N 1 0 249.333 2.041 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000278077862 176341613 /nfs/dbraw/zinc/34/16/13/176341613.db2.gz ZRRLOHAHFSHHJQ-RISCZKNCSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000219887125 176377216 /nfs/dbraw/zinc/37/72/16/176377216.db2.gz UKHVXLFJYIRNOX-MFKMUULPSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cc(C)nc(C)c1 ZINC001652378418 1173070614 /nfs/dbraw/zinc/07/06/14/1173070614.db2.gz TXKYUQKKONSVJM-UHFFFAOYSA-N 1 0 234.343 2.333 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353261486 176623105 /nfs/dbraw/zinc/62/31/05/176623105.db2.gz HBJNNZPFGPJDFA-IAQYHMDHSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H](Nc1ccc(F)cc1C#N)[C@@H]1CCC[NH2+]C1 ZINC000111027345 176933646 /nfs/dbraw/zinc/93/36/46/176933646.db2.gz LVOYWFZNMFETME-WDEREUQCSA-N 1 0 247.317 2.497 20 30 BEEDRO C[C@H](Nc1cccc(C#N)n1)C(C)(C)C[NH+](C)C ZINC000301626152 176934908 /nfs/dbraw/zinc/93/49/08/176934908.db2.gz GRJNTNUGLWQYLW-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000174465538 176948628 /nfs/dbraw/zinc/94/86/28/176948628.db2.gz AYXIOLBQKQDXOE-LBPRGKRZSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186821368 177031910 /nfs/dbraw/zinc/03/19/10/177031910.db2.gz IOBCJOCEAJMKBK-GFCCVEGCSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(O)CC1 ZINC000177326978 177032697 /nfs/dbraw/zinc/03/26/97/177032697.db2.gz SUOHWNQPYWZLMW-GFCCVEGCSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000292993095 177032715 /nfs/dbraw/zinc/03/27/15/177032715.db2.gz CHEIAKZVHNNKEL-DOMZBBRYSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(O)CC1 ZINC000189349068 177035942 /nfs/dbraw/zinc/03/59/42/177035942.db2.gz ICISZDALUYPCHF-LLVKDONJSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000191260496 177066420 /nfs/dbraw/zinc/06/64/20/177066420.db2.gz WNUGAQPTWFCXHQ-ODOQXGPZSA-N 1 0 244.338 2.292 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCNc1cc(C#N)ccn1 ZINC000286261922 177074766 /nfs/dbraw/zinc/07/47/66/177074766.db2.gz VXNDPZBKAOUJJL-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CO ZINC000305162695 177099424 /nfs/dbraw/zinc/09/94/24/177099424.db2.gz GAMQNJPWUMNLGL-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccccc1C#N ZINC000269707318 177120166 /nfs/dbraw/zinc/12/01/66/177120166.db2.gz OGWVJLVQWOENDY-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135485013 177126929 /nfs/dbraw/zinc/12/69/29/177126929.db2.gz JMURRVSNTMFBNY-CABZTGNLSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000328221008 177128370 /nfs/dbraw/zinc/12/83/70/177128370.db2.gz ZYODIXQJRXBTIT-SWLSCSKDSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000328221009 177144666 /nfs/dbraw/zinc/14/46/66/177144666.db2.gz ZYODIXQJRXBTIT-WFASDCNBSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000041066918 177160731 /nfs/dbraw/zinc/16/07/31/177160731.db2.gz MXAHXVAVGVESLV-LBPRGKRZSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(C#N)o2)C1 ZINC000356373500 177191275 /nfs/dbraw/zinc/19/12/75/177191275.db2.gz VXZQHPCXDJMFTC-NWDGAFQWSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@H]1C[N@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000293464158 177252599 /nfs/dbraw/zinc/25/25/99/177252599.db2.gz QKFNIXNMPMCTEF-RYUDHWBXSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)[C@H]1C ZINC000293143357 177253259 /nfs/dbraw/zinc/25/32/59/177253259.db2.gz UIOHMBYLKWFMHM-RYUDHWBXSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H](C)[N@H+]1C ZINC000293579938 177262520 /nfs/dbraw/zinc/26/25/20/177262520.db2.gz HQGODHMHADRINY-PHIMTYICSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc(C3CCC3)cc2)N1 ZINC000262690065 177279269 /nfs/dbraw/zinc/27/92/69/177279269.db2.gz ZXWJXXZVYYJNPE-NSHDSACASA-N 1 0 243.354 2.391 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc(C3CC3)cc2F)N1 ZINC000262685834 177279432 /nfs/dbraw/zinc/27/94/32/177279432.db2.gz DIKJFTYNZFWNDA-VIFPVBQESA-N 1 0 247.317 2.140 20 30 BEEDRO C[C@H]1C[NH2+]CCN1c1ccc(C#N)c(Cl)c1 ZINC000061847128 177285001 /nfs/dbraw/zinc/28/50/01/177285001.db2.gz BNWVDRNYSCCNBJ-VIFPVBQESA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000191752695 177296924 /nfs/dbraw/zinc/29/69/24/177296924.db2.gz DFNZHXACTFSIKJ-SMDDNHRTSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ncc(C#N)cn2)C[C@@H](C)C1 ZINC000332198985 177310545 /nfs/dbraw/zinc/31/05/45/177310545.db2.gz BMUZPBIVKYBXLS-RYUDHWBXSA-N 1 0 244.342 2.216 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191161068 177313422 /nfs/dbraw/zinc/31/34/22/177313422.db2.gz TZHRRXRLXFPFGQ-TXEJJXNPSA-N 1 0 231.343 2.375 20 30 BEEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccccc1C#N ZINC000289050674 177325597 /nfs/dbraw/zinc/32/55/97/177325597.db2.gz QIHQXCYAJQUQAA-STQMWFEESA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000289149979 177326273 /nfs/dbraw/zinc/32/62/73/177326273.db2.gz ZJJLQBMGEVOYKR-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000219887235 177370405 /nfs/dbraw/zinc/37/04/05/177370405.db2.gz UKHVXLFJYIRNOX-GXFFZTMASA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(F)cc1C#N ZINC000229600803 177396652 /nfs/dbraw/zinc/39/66/52/177396652.db2.gz MPKFNYNQCAWKGY-BXKDBHETSA-N 1 0 233.290 2.250 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)s2)CCOC1 ZINC000336780028 177462984 /nfs/dbraw/zinc/46/29/84/177462984.db2.gz QDLPVQYLSXLHSF-GFCCVEGCSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cc(C#N)cs2)CCOC1 ZINC000309809894 177463043 /nfs/dbraw/zinc/46/30/43/177463043.db2.gz TYDVEHOIPGUIDA-GFCCVEGCSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000488431241 225397558 /nfs/dbraw/zinc/39/75/58/225397558.db2.gz HKQGJOWQKKZJEO-AAEUAGOBSA-N 1 0 230.311 2.183 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C(OC)OC ZINC000895789251 583727721 /nfs/dbraw/zinc/72/77/21/583727721.db2.gz IZPHHYLDGYOOCE-LBPRGKRZSA-N 1 0 227.348 2.167 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOc1cccc(F)c1 ZINC000491670109 229205679 /nfs/dbraw/zinc/20/56/79/229205679.db2.gz LQFBLNDWRHPLDV-LLVKDONJSA-N 1 0 221.275 2.158 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nccs1 ZINC000308974207 229285347 /nfs/dbraw/zinc/28/53/47/229285347.db2.gz GBVVXCJFTUAKAN-LPEHRKFASA-N 1 0 221.329 2.486 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404003636 229358269 /nfs/dbraw/zinc/35/82/69/229358269.db2.gz NRHRJYBMJKOVNJ-CABZTGNLSA-N 1 0 218.275 2.443 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404131875 229374769 /nfs/dbraw/zinc/37/47/69/229374769.db2.gz UNNDBXNJJIEXBH-UHFFFAOYSA-N 1 0 231.274 2.481 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)cc1F ZINC000228601289 487687873 /nfs/dbraw/zinc/68/78/73/487687873.db2.gz BYVXDDGBORGLAI-VIFPVBQESA-N 1 0 209.264 2.498 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000308900316 487692776 /nfs/dbraw/zinc/69/27/76/487692776.db2.gz BEPZYWSQXWCFHW-TUAOUCFPSA-N 1 0 228.767 2.201 20 30 BEEDRO C=CC[N@H+](CC1CCCCC1)[C@@H](CC)C(N)=O ZINC000411263621 487697427 /nfs/dbraw/zinc/69/74/27/487697427.db2.gz UCUQBNNYHSWGDJ-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO N#CCc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000399139656 262776517 /nfs/dbraw/zinc/77/65/17/262776517.db2.gz UIJOHWRVXAMVBZ-HNNXBMFYSA-N 1 0 244.338 2.269 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000527805219 262885287 /nfs/dbraw/zinc/88/52/87/262885287.db2.gz UUBULAGCYAYZNW-ZAZJYDDPSA-N 1 0 244.338 2.460 20 30 BEEDRO CC[C@]1(C)CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528406911 262945386 /nfs/dbraw/zinc/94/53/86/262945386.db2.gz UJGYQKSLOBSATM-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000671723462 487708373 /nfs/dbraw/zinc/70/83/73/487708373.db2.gz XCCUXQOTKHASBC-CQSZACIVSA-N 1 0 247.338 2.126 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172594625 974880902 /nfs/dbraw/zinc/88/09/02/974880902.db2.gz BRSSZKLOCKWYOW-MBNYWOFBSA-N 1 0 237.343 2.110 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)O1 ZINC000398114608 267025714 /nfs/dbraw/zinc/02/57/14/267025714.db2.gz ZUNJYZWXENCWJR-ZJUUUORDSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)O1 ZINC000398114607 267221913 /nfs/dbraw/zinc/22/19/13/267221913.db2.gz ZUNJYZWXENCWJR-VHSXEESVSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1F ZINC000404162208 268074307 /nfs/dbraw/zinc/07/43/07/268074307.db2.gz ZZTVXMXSAOFNIF-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)OCC1(C)C ZINC000675495369 487741387 /nfs/dbraw/zinc/74/13/87/487741387.db2.gz NUORQDLBWUDDNG-GFCCVEGCSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617039177 487787176 /nfs/dbraw/zinc/78/71/76/487787176.db2.gz DKCQRVQWAIGPOL-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)C)C[C@H]1CC ZINC000681450865 487797848 /nfs/dbraw/zinc/79/78/48/487797848.db2.gz IFUQMVRIOCUCEB-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000681477696 487802668 /nfs/dbraw/zinc/80/26/68/487802668.db2.gz GAJIWRWAVHYDMH-OAHLLOKOSA-N 1 0 243.350 2.471 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153223 487807495 /nfs/dbraw/zinc/80/74/95/487807495.db2.gz KWRIWJOJZYDCJR-ZDUSSCGKSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(F)(F)CCC[NH2+]C[C@H](C#N)CCC#N ZINC000564858200 322942318 /nfs/dbraw/zinc/94/23/18/322942318.db2.gz ARKJMGXRZHMSIM-JTQLQIEISA-N 1 0 229.274 2.455 20 30 BEEDRO CC(C)(C[NH+]1CCCC1)NCc1ccc(C#N)o1 ZINC000308616574 487826127 /nfs/dbraw/zinc/82/61/27/487826127.db2.gz XLCRUDRELLZEFN-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(CF)(CF)C1)C(C)C ZINC000825878136 587343318 /nfs/dbraw/zinc/34/33/18/587343318.db2.gz CISSUUUBUHUENB-NSHDSACASA-N 1 0 215.287 2.322 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC=C)nn2)C1 ZINC000651835759 487839443 /nfs/dbraw/zinc/83/94/43/487839443.db2.gz YYFBZODZJSMTSI-QWHCGFSZSA-N 1 0 246.358 2.299 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cn(CC=C)nn2)C1 ZINC000651835760 487839578 /nfs/dbraw/zinc/83/95/78/487839578.db2.gz YYFBZODZJSMTSI-STQMWFEESA-N 1 0 246.358 2.299 20 30 BEEDRO C#CCOCC[N@@H+](C)C1CCC(C)CC1 ZINC000851716021 588616013 /nfs/dbraw/zinc/61/60/13/588616013.db2.gz HIFPFFYGJYMLMH-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCCCC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870569828 589677094 /nfs/dbraw/zinc/67/70/94/589677094.db2.gz XWTINGCIWAXNEO-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1CCC(C)(C)CO1 ZINC000878656706 590604028 /nfs/dbraw/zinc/60/40/28/590604028.db2.gz WKBLSJBPQCDDED-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000677048505 487847676 /nfs/dbraw/zinc/84/76/76/487847676.db2.gz ZMCMFMWRJRQPMV-LSDHHAIUSA-N 1 0 231.339 2.413 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000668493225 487850857 /nfs/dbraw/zinc/85/08/57/487850857.db2.gz LADKGCLQAPJQFH-LLVKDONJSA-N 1 0 206.289 2.463 20 30 BEEDRO Cn1cc(C[NH2+]CC2CC(C)(C)C2)cc1C#N ZINC000558756926 322954947 /nfs/dbraw/zinc/95/49/47/322954947.db2.gz IVBLRCPOXOVZRX-UHFFFAOYSA-N 1 0 231.343 2.423 20 30 BEEDRO C=CCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000313338641 322954793 /nfs/dbraw/zinc/95/47/93/322954793.db2.gz ZSTQBGRPSLOXLO-CQSZACIVSA-N 1 0 244.338 2.126 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCCOC1)C(C)(C)C ZINC000932465035 640538217 /nfs/dbraw/zinc/53/82/17/640538217.db2.gz QWWUMICTPZEVIT-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO CC[C@@H]([NH2+]CC#CCOC)c1ccccc1 ZINC000309938943 487867349 /nfs/dbraw/zinc/86/73/49/487867349.db2.gz ATTBLJPFJOUAQQ-CQSZACIVSA-N 1 0 217.312 2.377 20 30 BEEDRO Cc1ncncc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000569355393 322963402 /nfs/dbraw/zinc/96/34/02/322963402.db2.gz KOQRWXCLQZYSPW-JTQLQIEISA-N 1 0 230.315 2.130 20 30 BEEDRO C=C[C@@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000157009081 487888877 /nfs/dbraw/zinc/88/88/77/487888877.db2.gz PMQMHGVDJHFOQT-YPMHNXCESA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCC1([NH2+]C2CC(OCC)C2)CCOCC1 ZINC000668550723 487922022 /nfs/dbraw/zinc/92/20/22/487922022.db2.gz FFUXQANCQAYTAW-UHFFFAOYSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)CCOC)CCOCC1 ZINC000668551823 487922636 /nfs/dbraw/zinc/92/26/36/487922636.db2.gz XTIWHPOOYKEIFP-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)[C@H]2CCOC2)CCOCC1 ZINC000668551810 487922683 /nfs/dbraw/zinc/92/26/83/487922683.db2.gz XPUGIPBCAAUVKS-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCC(C)(C)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000659556372 487939163 /nfs/dbraw/zinc/93/91/63/487939163.db2.gz RYKYITPWQKLUBM-MNOVXSKESA-N 1 0 241.379 2.156 20 30 BEEDRO C=CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1CC1 ZINC000165285272 487955629 /nfs/dbraw/zinc/95/56/29/487955629.db2.gz QCRZFSYJRKHBCB-LBPRGKRZSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677040207 487956433 /nfs/dbraw/zinc/95/64/33/487956433.db2.gz BILPMSAUVUMQBD-QWHCGFSZSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000562477506 323021513 /nfs/dbraw/zinc/02/15/13/323021513.db2.gz BTYUKMXNMZYHFJ-GFCCVEGCSA-N 1 0 219.332 2.032 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000562478146 323021564 /nfs/dbraw/zinc/02/15/64/323021564.db2.gz BIIHBLBPMNZEAH-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000562535541 323023305 /nfs/dbraw/zinc/02/33/05/323023305.db2.gz VOWRELFGGWYGQC-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000562654453 323026145 /nfs/dbraw/zinc/02/61/45/323026145.db2.gz NZCKYJIRHYSSJF-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCCC[N@@H+]1CCCO[C@@H](CF)C1 ZINC000562706195 323028397 /nfs/dbraw/zinc/02/83/97/323028397.db2.gz FYPGQYZAZGINRF-LBPRGKRZSA-N 1 0 215.312 2.403 20 30 BEEDRO CC(C)[N@H+](C)CCNCc1ccc(C#N)s1 ZINC000135498653 323029374 /nfs/dbraw/zinc/02/93/74/323029374.db2.gz VRAXMKUDJYOLET-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)C1CCOCC1 ZINC000569654146 323035646 /nfs/dbraw/zinc/03/56/46/323035646.db2.gz AFAKJOLRVOTVRL-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCOCC(F)(F)F ZINC000569938382 323044874 /nfs/dbraw/zinc/04/48/74/323044874.db2.gz ZEGDZYCHAYRMGC-VIFPVBQESA-N 1 0 238.253 2.237 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000569938324 323044918 /nfs/dbraw/zinc/04/49/18/323044918.db2.gz WVTCTTGDZRXWJX-OAHLLOKOSA-N 1 0 246.354 2.464 20 30 BEEDRO C=CCCCC[NH+]1CCN(C(C)C)CC1 ZINC000570789347 323070302 /nfs/dbraw/zinc/07/03/02/323070302.db2.gz AIINMYWPXVDKDL-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCOCCCSCC1CC[NH2+]CC1 ZINC000570925530 323074631 /nfs/dbraw/zinc/07/46/31/323074631.db2.gz FRVHNNWCMWLQKS-UHFFFAOYSA-N 1 0 229.389 2.312 20 30 BEEDRO N#CCCNCc1cccc(C[NH+]2CCCC2)c1 ZINC000562985745 323077954 /nfs/dbraw/zinc/07/79/54/323077954.db2.gz RJCBDLDLUPBWKC-UHFFFAOYSA-N 1 0 243.354 2.286 20 30 BEEDRO N#CC1(C[NH2+]C[C@H](O)CC2CCCC2)CCC1 ZINC000563007833 323079671 /nfs/dbraw/zinc/07/96/71/323079671.db2.gz OCBNYOYUHORCQO-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000567821791 323090062 /nfs/dbraw/zinc/09/00/62/323090062.db2.gz LIMHEFDTYCTKML-WOPDTQHZSA-N 1 0 241.379 2.156 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000563126024 323094214 /nfs/dbraw/zinc/09/42/14/323094214.db2.gz QQQLUUVMMLWNOG-NWDGAFQWSA-N 1 0 238.375 2.330 20 30 BEEDRO Cc1[nH+]c2c(n1CCCC#N)CCCC2 ZINC000160708326 323103784 /nfs/dbraw/zinc/10/37/84/323103784.db2.gz JHKPGDXQRYVEFQ-UHFFFAOYSA-N 1 0 203.289 2.374 20 30 BEEDRO C=CCC[C@@H](CO)Nc1cc[nH+]c(CC)c1 ZINC000320263228 323104579 /nfs/dbraw/zinc/10/45/79/323104579.db2.gz KAIDRSLGZMHSSS-ZDUSSCGKSA-N 1 0 220.316 2.383 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccccn1 ZINC000320264360 323104645 /nfs/dbraw/zinc/10/46/45/323104645.db2.gz KFIUFIHYWOXUHM-NEPJUHHUSA-N 1 0 220.316 2.059 20 30 BEEDRO CC(C)(C#N)CCC[NH+]1CCC(CCO)CC1 ZINC000309983367 323124571 /nfs/dbraw/zinc/12/45/71/323124571.db2.gz SHCHMGPYGRXXFL-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCC#N ZINC000571397583 323143571 /nfs/dbraw/zinc/14/35/71/323143571.db2.gz JHHCSKMIACOVHN-TZMCWYRMSA-N 1 0 232.327 2.044 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC1(C#N)CCC1 ZINC000563719409 323175534 /nfs/dbraw/zinc/17/55/34/323175534.db2.gz ZPFKKVWBAOWHQA-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCC[NH2+][C@@H](CO)C1CCCCC1 ZINC000308929009 323181736 /nfs/dbraw/zinc/18/17/36/323181736.db2.gz LOTLUYWJXNDLBT-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(CC)s1 ZINC000309027527 323194439 /nfs/dbraw/zinc/19/44/39/323194439.db2.gz BOOINTVEFDSYSI-JTQLQIEISA-N 1 0 225.357 2.337 20 30 BEEDRO COC(=O)CC1([NH2+]CCCC#N)CCCCC1 ZINC000532721707 323292031 /nfs/dbraw/zinc/29/20/31/323292031.db2.gz ZSFSOVAPLLFXNK-UHFFFAOYSA-N 1 0 238.331 2.146 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000309246225 323331194 /nfs/dbraw/zinc/33/11/94/323331194.db2.gz ZHZGEZDVABCEGT-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1ccnc(NC[C@H]2CCC[N@@H+](C)C2)c1C#N ZINC000135072258 323339272 /nfs/dbraw/zinc/33/92/72/323339272.db2.gz GCBZNBUXFBVQNK-GFCCVEGCSA-N 1 0 244.342 2.015 20 30 BEEDRO C=CC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000309419345 323396369 /nfs/dbraw/zinc/39/63/69/323396369.db2.gz ZHZKQBKLIRLIDY-UHFFFAOYSA-N 1 0 217.312 2.468 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccccc1C ZINC000677047023 487958139 /nfs/dbraw/zinc/95/81/39/487958139.db2.gz OXASPQRVDJRTDP-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCCOc1ccccc1 ZINC000677046678 487957821 /nfs/dbraw/zinc/95/78/21/487957821.db2.gz GKYZDCJKLZZCPF-HNNXBMFYSA-N 1 0 249.354 2.324 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)CO1 ZINC000572363276 323608883 /nfs/dbraw/zinc/60/88/83/323608883.db2.gz RUIGTKASTMAPKG-WDBKCZKBSA-N 1 0 242.322 2.313 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N[C@H](C)CC)c1ccc(F)cc1 ZINC000262668963 323615566 /nfs/dbraw/zinc/61/55/66/323615566.db2.gz OMKHCAFCRMFSGR-ZWNOBZJWSA-N 1 0 247.317 2.203 20 30 BEEDRO CCOc1ccc([C@@H]2C[C@H]2[NH2+]CCC#N)cc1 ZINC000572394844 323620147 /nfs/dbraw/zinc/62/01/47/323620147.db2.gz XRGAXMIXUUVUDG-UONOGXRCSA-N 1 0 230.311 2.444 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527906256 323716102 /nfs/dbraw/zinc/71/61/02/323716102.db2.gz WEQRUYCUQAQIEG-LOWDOPEQSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000121529316 324016193 /nfs/dbraw/zinc/01/61/93/324016193.db2.gz UAXDDORPIHHLJX-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000121537853 324016474 /nfs/dbraw/zinc/01/64/74/324016474.db2.gz NQJQRXXCGBMWSH-ZDUSSCGKSA-N 1 0 246.354 2.118 20 30 BEEDRO C[C@H]1CCN(CC[NH2+]Cc2ccc(C#N)s2)C1 ZINC000537500189 324076419 /nfs/dbraw/zinc/07/64/19/324076419.db2.gz KTMGPXSDHCCCEC-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000123170697 324091471 /nfs/dbraw/zinc/09/14/71/324091471.db2.gz MBLDSLYWZVTOIM-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CC1CCCC1)C1CC1 ZINC000491792914 324161746 /nfs/dbraw/zinc/16/17/46/324161746.db2.gz IENBYNVRAJRMOK-CQSZACIVSA-N 1 0 221.344 2.025 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]1CC ZINC000328268641 324367764 /nfs/dbraw/zinc/36/77/64/324367764.db2.gz NCPSBJPFUGGPRR-UONOGXRCSA-N 1 0 222.376 2.110 20 30 BEEDRO COC[C@@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679619 487964330 /nfs/dbraw/zinc/96/43/30/487964330.db2.gz VWBULBDCQMPEOC-GFCCVEGCSA-N 1 0 244.338 2.146 20 30 BEEDRO COC[C@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)C ZINC000542525722 325034236 /nfs/dbraw/zinc/03/42/36/325034236.db2.gz KQWAAGYGFVPEBK-HNNXBMFYSA-N 1 0 249.329 2.438 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1nc2c(s1)CCC2 ZINC000130726889 325082233 /nfs/dbraw/zinc/08/22/33/325082233.db2.gz MHSVCFFGSQEHTD-QMMMGPOBSA-N 1 0 208.330 2.468 20 30 BEEDRO N#Cc1ccccc1OCC[NH2+]C1(C2CC2)CC1 ZINC000543452675 325089715 /nfs/dbraw/zinc/08/97/15/325089715.db2.gz NJPZTSXVHKIVEL-UHFFFAOYSA-N 1 0 242.322 2.469 20 30 BEEDRO CCCC[C@@H](COC)[NH2+][C@H](CC)CC#N ZINC000131233438 325128483 /nfs/dbraw/zinc/12/84/83/325128483.db2.gz VIPGAECHCMOAGL-NEPJUHHUSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@H](c1cnccn1)[NH+]1CCC(CC#N)CC1 ZINC000545226446 325195900 /nfs/dbraw/zinc/19/59/00/325195900.db2.gz IBQLJPZVKRVQJW-LLVKDONJSA-N 1 0 230.315 2.163 20 30 BEEDRO CC#CCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000545903483 325245155 /nfs/dbraw/zinc/24/51/55/325245155.db2.gz WDYNSRZUEBBWDR-CQSZACIVSA-N 1 0 231.339 2.283 20 30 BEEDRO C=CCCCC[N@@H+](C)C1CCN(OC)CC1 ZINC000564301022 325271991 /nfs/dbraw/zinc/27/19/91/325271991.db2.gz OTIYBFCJOLPBER-UHFFFAOYSA-N 1 0 226.364 2.300 20 30 BEEDRO CN(CCCC#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860020 325318466 /nfs/dbraw/zinc/31/84/66/325318466.db2.gz QTBBNNVSBDTJCO-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000076007795 325324362 /nfs/dbraw/zinc/32/43/62/325324362.db2.gz FCQQHVXNADXAAT-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO CC#CCC[NH+]1CCC(CCC(=O)OC)CC1 ZINC000547317595 325339372 /nfs/dbraw/zinc/33/93/72/325339372.db2.gz BFQCSBSNSMVDLQ-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)[C@H](C)CCC ZINC000134400948 325357216 /nfs/dbraw/zinc/35/72/16/325357216.db2.gz NRUZOYXHPCOXKN-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)[C@@H](C)CCC ZINC000134400920 325357399 /nfs/dbraw/zinc/35/73/99/325357399.db2.gz NRUZOYXHPCOXKN-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000077030138 325363962 /nfs/dbraw/zinc/36/39/62/325363962.db2.gz UUGOYWMDKXOEDQ-UHFFFAOYSA-N 1 0 240.347 2.162 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000134912043 325382524 /nfs/dbraw/zinc/38/25/24/325382524.db2.gz KKRLAYKYKIROMI-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@](C)(O)CSC ZINC000134923369 325382731 /nfs/dbraw/zinc/38/27/31/325382731.db2.gz OQQVOFBXUPFELM-QWRGUYRKSA-N 1 0 217.378 2.045 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248822377 325622085 /nfs/dbraw/zinc/62/20/85/325622085.db2.gz FGHYOSOCZYRCAW-FRRDWIJNSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248872418 325625257 /nfs/dbraw/zinc/62/52/57/325625257.db2.gz IDQWJWZLTVMXMY-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C1 ZINC000249055759 325634701 /nfs/dbraw/zinc/63/47/01/325634701.db2.gz YOHYMSQOQUGXCM-ZOBORPQBSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252730913 325693496 /nfs/dbraw/zinc/69/34/96/325693496.db2.gz NKTYUAYLJMGZRC-RNJOBUHISA-N 1 0 211.349 2.480 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCCCO ZINC000684773712 487969520 /nfs/dbraw/zinc/96/95/20/487969520.db2.gz FCUPGQMMAGCUDF-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO COCC1([NH2+][C@H]2CCc3ccc(C#N)cc32)CC1 ZINC000564433155 325792530 /nfs/dbraw/zinc/79/25/30/325792530.db2.gz JCVCAMCPPVCGRH-AWEZNQCLSA-N 1 0 242.322 2.314 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000564630826 325799688 /nfs/dbraw/zinc/79/96/88/325799688.db2.gz WETYUHOQNTZBLW-LEWSCRJBSA-N 1 0 230.311 2.386 20 30 BEEDRO CCOCCC1(C[NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000564852472 325817099 /nfs/dbraw/zinc/81/70/99/325817099.db2.gz LZRAPKBBSXPTGH-ZDUSSCGKSA-N 1 0 249.358 2.226 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000566408180 326040489 /nfs/dbraw/zinc/04/04/89/326040489.db2.gz YPMAAEHMZXTTQR-MNOVXSKESA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000566404950 326040280 /nfs/dbraw/zinc/04/02/80/326040280.db2.gz SCRIVWUIRVAUQZ-DGCLKSJQSA-N 1 0 226.364 2.078 20 30 BEEDRO N#CCCC[NH2+]Cc1nc(-c2ccccc2)c[nH]1 ZINC000566408793 326040847 /nfs/dbraw/zinc/04/08/47/326040847.db2.gz SUKZQPALLBHCST-UHFFFAOYSA-N 1 0 240.310 2.470 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000566558909 326063717 /nfs/dbraw/zinc/06/37/17/326063717.db2.gz ONNGRAUWVXMKEE-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO N#CCCC1CC[NH+](Cc2cccnc2N)CC1 ZINC000566617683 326066216 /nfs/dbraw/zinc/06/62/16/326066216.db2.gz JUKUFIYTCTZLAB-UHFFFAOYSA-N 1 0 244.342 2.180 20 30 BEEDRO CCC(C)(C)OCC[NH2+]C[C@@H](C#N)CCC#N ZINC000566845922 326087133 /nfs/dbraw/zinc/08/71/33/326087133.db2.gz JGGKYIJZGRQUIH-GFCCVEGCSA-N 1 0 237.347 2.225 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000567171223 326128806 /nfs/dbraw/zinc/12/88/06/326128806.db2.gz ZPKHVXLFZOANMQ-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000567331208 326163799 /nfs/dbraw/zinc/16/37/99/326163799.db2.gz DJJZBWTWAKDCOQ-UHFFFAOYSA-N 1 0 200.285 2.357 20 30 BEEDRO C#CC[N@H+](Cc1ccccn1)C1CCCC1 ZINC000155903490 326214359 /nfs/dbraw/zinc/21/43/59/326214359.db2.gz DBDUBIFRELVMIB-UHFFFAOYSA-N 1 0 214.312 2.459 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000568152142 326312863 /nfs/dbraw/zinc/31/28/63/326312863.db2.gz YJLTVBBEFWMPAZ-YNEHKIRRSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000568222730 326328675 /nfs/dbraw/zinc/32/86/75/326328675.db2.gz BFQPNGBEALVBGH-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO N#CCCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000568587763 326366026 /nfs/dbraw/zinc/36/60/26/326366026.db2.gz IUNOKGRLAIRRKM-UHFFFAOYSA-N 1 0 227.311 2.474 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1ccccc1OC ZINC000568899391 326381965 /nfs/dbraw/zinc/38/19/65/326381965.db2.gz PVEPAFHWJLLKGG-GFCCVEGCSA-N 1 0 248.326 2.356 20 30 BEEDRO CCO[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000568920811 326382622 /nfs/dbraw/zinc/38/26/22/326382622.db2.gz VXBWYWZAWCRYMD-RRFJBIMHSA-N 1 0 242.322 2.313 20 30 BEEDRO C=C(C)CC[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000164419988 326412697 /nfs/dbraw/zinc/41/26/97/326412697.db2.gz ZIGWXTWGUYKTRU-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCCCC[NH2+][C@H](c1nncn1C)C(C)C ZINC000573295058 326439890 /nfs/dbraw/zinc/43/98/90/326439890.db2.gz SFOQYNBGXSMJIB-LBPRGKRZSA-N 1 0 236.363 2.458 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2Cl ZINC000309562173 487986055 /nfs/dbraw/zinc/98/60/55/487986055.db2.gz JSXHJMQHUOIVBQ-RNCFNFMXSA-N 1 0 237.730 2.464 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186792893 487993096 /nfs/dbraw/zinc/99/30/96/487993096.db2.gz JSNUHBWRNNOODY-UMSGYPCISA-N 1 0 211.349 2.480 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnn2c1CCC2 ZINC000667473274 488018583 /nfs/dbraw/zinc/01/85/83/488018583.db2.gz FCCXMBOTGHCJCQ-UHFFFAOYSA-N 1 0 219.332 2.227 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1ccc(Cl)cc1 ZINC000320704063 488023846 /nfs/dbraw/zinc/02/38/46/488023846.db2.gz YRKNIJKKCGIDHT-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1N(C)C ZINC000677406939 488030945 /nfs/dbraw/zinc/03/09/45/488030945.db2.gz LBWGLQWUHHCSID-HNNXBMFYSA-N 1 0 248.370 2.121 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)C(F)(F)F)C1CC1 ZINC000491704368 488038259 /nfs/dbraw/zinc/03/82/59/488038259.db2.gz OTJSMFFBSUJGLH-QMMMGPOBSA-N 1 0 205.223 2.282 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1nccc(N)n1 ZINC000661115924 488042616 /nfs/dbraw/zinc/04/26/16/488042616.db2.gz VKSTZFPQNGJWQP-RYUDHWBXSA-N 1 0 246.358 2.283 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(F)cc1 ZINC000677476244 488045858 /nfs/dbraw/zinc/04/58/58/488045858.db2.gz MVQJIHKYRINFOS-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc2n1CCC2 ZINC000667656726 488076609 /nfs/dbraw/zinc/07/66/09/488076609.db2.gz QDURSKREHLBHBA-UHFFFAOYSA-N 1 0 219.332 2.227 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCOC2(CCCC2)C1 ZINC000677603136 488084104 /nfs/dbraw/zinc/08/41/04/488084104.db2.gz JDRMQOQJWZLMNL-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH2+]C(C)C)C[C@H]1C ZINC001332026322 974926272 /nfs/dbraw/zinc/92/62/72/974926272.db2.gz JUXICTTZCAGGNY-CHWSQXEVSA-N 1 0 238.375 2.330 20 30 BEEDRO C[C@H](O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683018501 488094270 /nfs/dbraw/zinc/09/42/70/488094270.db2.gz RPSXYCVIZPVBMT-GOEBONIOSA-N 1 0 243.350 2.131 20 30 BEEDRO C[C@@H](O)[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683018500 488094794 /nfs/dbraw/zinc/09/47/94/488094794.db2.gz RPSXYCVIZPVBMT-GDBMZVCRSA-N 1 0 243.350 2.131 20 30 BEEDRO COCC1([N@H+](C)CC#Cc2ccccc2)CC1 ZINC000683019004 488095260 /nfs/dbraw/zinc/09/52/60/488095260.db2.gz KHVWLRPXNJJRJX-UHFFFAOYSA-N 1 0 229.323 2.149 20 30 BEEDRO CC[C@@]1([NH2+]CC#Cc2ccc(F)cc2)CCOC1 ZINC000683040757 488103401 /nfs/dbraw/zinc/10/34/01/488103401.db2.gz DDVKTCGKFLUGNU-OAHLLOKOSA-N 1 0 247.313 2.336 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccccc1N(C)C ZINC000679486569 487536814 /nfs/dbraw/zinc/53/68/14/487536814.db2.gz QXUJGAZIVJWVJH-UHFFFAOYSA-N 1 0 234.343 2.045 20 30 BEEDRO CC[N@H+](C[C@@H](C#N)CCC#N)CC1CC1 ZINC000112560590 488119523 /nfs/dbraw/zinc/11/95/23/488119523.db2.gz NGVLEMAFJJTPJD-GFCCVEGCSA-N 1 0 205.305 2.162 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CC1CCC1 ZINC000321098338 488127386 /nfs/dbraw/zinc/12/73/86/488127386.db2.gz LUHCETVSJCALAF-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO COCC#CC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000677817114 488129803 /nfs/dbraw/zinc/12/98/03/488129803.db2.gz HNLQCTZYXGUWFO-INIZCTEOSA-N 1 0 243.350 2.126 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC#CCOC ZINC000677817084 488130022 /nfs/dbraw/zinc/13/00/22/488130022.db2.gz GXZOCPJGVYXOSN-UHFFFAOYSA-N 1 0 209.333 2.314 20 30 BEEDRO COCC#CC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000677818611 488132869 /nfs/dbraw/zinc/13/28/69/488132869.db2.gz DEEHGCKWKWGTCU-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2cccc(C)c2C1 ZINC000683226567 488133638 /nfs/dbraw/zinc/13/36/38/488133638.db2.gz IFCVWWIZEQSYHM-OAHLLOKOSA-N 1 0 231.339 2.290 20 30 BEEDRO C=CCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000168741591 487539278 /nfs/dbraw/zinc/53/92/78/487539278.db2.gz DLTKXUBIFRNHTE-UHFFFAOYSA-N 1 0 215.300 2.239 20 30 BEEDRO C=CCC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000168728551 487539577 /nfs/dbraw/zinc/53/95/77/487539577.db2.gz BNHMIZLMZITBON-UHFFFAOYSA-N 1 0 206.289 2.064 20 30 BEEDRO C=CCC[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000658113409 487544502 /nfs/dbraw/zinc/54/45/02/487544502.db2.gz GRZJQHDIFUOEGE-NSHDSACASA-N 1 0 220.316 2.187 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000237996821 487546830 /nfs/dbraw/zinc/54/68/30/487546830.db2.gz KSUOJZZSJYOLEP-GJZGRUSLSA-N 1 0 247.338 2.254 20 30 BEEDRO C=CCC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000658114913 487548212 /nfs/dbraw/zinc/54/82/12/487548212.db2.gz SATJPBGVGJQCRB-NSHDSACASA-N 1 0 220.316 2.187 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCCO[C@H](CC)C1 ZINC000685007390 487488022 /nfs/dbraw/zinc/48/80/22/487488022.db2.gz ONHNIAXWSKVDCN-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCCC[NH2+]Cc1ccnn1CCC ZINC000308799227 487495498 /nfs/dbraw/zinc/49/54/98/487495498.db2.gz LWUQGBBBCAXHBQ-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000677817190 487505859 /nfs/dbraw/zinc/50/58/59/487505859.db2.gz IIFQVBNQXQCRBN-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1CC(C)C ZINC000677818730 487512725 /nfs/dbraw/zinc/51/27/25/487512725.db2.gz VBDJXNKSFASNEA-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO CCC(CC)[N@H+](CC#CCOC)C1CC1 ZINC000677818794 487512857 /nfs/dbraw/zinc/51/28/57/487512857.db2.gz VZXSYIMGPSQIKW-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO COCC#CC[N@H+](C(C)C)C1CCCC1 ZINC000677818783 487513939 /nfs/dbraw/zinc/51/39/39/487513939.db2.gz IIOJEVFRDPXTMI-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667837048 488136009 /nfs/dbraw/zinc/13/60/09/488136009.db2.gz GMUOBYPZCUVQOG-VHDGCEQUSA-N 1 0 234.387 2.415 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@](C)(O)COC ZINC000657876958 488158589 /nfs/dbraw/zinc/15/85/89/488158589.db2.gz HOORGVGKAJFHPS-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C)on1 ZINC000390495723 488161771 /nfs/dbraw/zinc/16/17/71/488161771.db2.gz RVQIXZHMEXQQRV-LLVKDONJSA-N 1 0 224.304 2.226 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](CC)Cc1ccccc1 ZINC000677951188 488164643 /nfs/dbraw/zinc/16/46/43/488164643.db2.gz HZLZMCLBWWPVML-CQSZACIVSA-N 1 0 219.328 2.446 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccsc1 ZINC000677951248 488165075 /nfs/dbraw/zinc/16/50/75/488165075.db2.gz LYCHDFMYOPWIDV-LLVKDONJSA-N 1 0 211.330 2.117 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667997526 488179707 /nfs/dbraw/zinc/17/97/07/488179707.db2.gz RUYCIJQGKUNHQI-CHWSQXEVSA-N 1 0 209.333 2.500 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678219385 488219389 /nfs/dbraw/zinc/21/93/89/488219389.db2.gz BWLUZQBGLGELTH-CABCVRRESA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCCCCCN1C[C@H](O)CC(F)(F)C1 ZINC000683787700 488222183 /nfs/dbraw/zinc/22/21/83/488222183.db2.gz VBENJNLPFBKZPA-LLVKDONJSA-N 1 0 233.302 2.435 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000684207991 488276955 /nfs/dbraw/zinc/27/69/55/488276955.db2.gz PCWNLNOISRCSBH-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000684209842 488277318 /nfs/dbraw/zinc/27/73/18/488277318.db2.gz KDWYBSJEKOYXGF-BBBLOLIVSA-N 1 0 237.265 2.196 20 30 BEEDRO CCOc1ccc([C@H](C)[NH2+]CC#CCOC)cc1 ZINC000678733441 488279676 /nfs/dbraw/zinc/27/96/76/488279676.db2.gz PVSJGIWGJRLQGR-ZDUSSCGKSA-N 1 0 247.338 2.386 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000678736062 488280253 /nfs/dbraw/zinc/28/02/53/488280253.db2.gz SKEWCQUWQSBLBD-SMDDNHRTSA-N 1 0 235.327 2.283 20 30 BEEDRO COCC#CC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000678893806 488294005 /nfs/dbraw/zinc/29/40/05/488294005.db2.gz VSHCYOGMKZRRLO-HNNXBMFYSA-N 1 0 229.323 2.377 20 30 BEEDRO CC#CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000673713209 488305522 /nfs/dbraw/zinc/30/55/22/488305522.db2.gz LAASINAYGKTTDC-HNNXBMFYSA-N 1 0 239.322 2.237 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000679175147 488314727 /nfs/dbraw/zinc/31/47/27/488314727.db2.gz PMRITEDBGCSETO-YPMHNXCESA-N 1 0 246.358 2.094 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)nn1 ZINC000653766848 490098110 /nfs/dbraw/zinc/09/81/10/490098110.db2.gz VVOVQROTQFVFRM-AVGNSLFASA-N 1 0 248.374 2.331 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000122422941 490139326 /nfs/dbraw/zinc/13/93/26/490139326.db2.gz YJFFCBIWIPSACS-RYUDHWBXSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cncn2C)C1 ZINC000652190232 490167562 /nfs/dbraw/zinc/16/75/62/490167562.db2.gz GYIQMHPEYKGFQB-CHWSQXEVSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C(C)C[N@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649830038 490206764 /nfs/dbraw/zinc/20/67/64/490206764.db2.gz UWHCDIRYPOGQFF-INIZCTEOSA-N 1 0 244.382 2.421 20 30 BEEDRO C=CCCNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000665946380 490238880 /nfs/dbraw/zinc/23/88/80/490238880.db2.gz WWMXCCNFXITEFE-LLVKDONJSA-N 1 0 248.330 2.222 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccn(C)c1 ZINC000127262762 490345804 /nfs/dbraw/zinc/34/58/04/490345804.db2.gz VZLALLWHCMVMGM-UHFFFAOYSA-N 1 0 210.346 2.034 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000305504865 490461874 /nfs/dbraw/zinc/46/18/74/490461874.db2.gz STEGDASEERSUGA-CYBMUJFWSA-N 1 0 249.354 2.418 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2ncn(C)n2)C1 ZINC000651843842 491076827 /nfs/dbraw/zinc/07/68/27/491076827.db2.gz RNIBXIKJPZJUHW-QWHCGFSZSA-N 1 0 248.374 2.082 20 30 BEEDRO N#CCCCn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000594649412 491077079 /nfs/dbraw/zinc/07/70/79/491077079.db2.gz JOEGPKFUQPDPJX-UHFFFAOYSA-N 1 0 247.346 2.004 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000651700181 491074044 /nfs/dbraw/zinc/07/40/44/491074044.db2.gz WRNXZGWWMROJED-AGIUHOORSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCOCCNCc1ncc(Cl)s1 ZINC000308522570 491136861 /nfs/dbraw/zinc/13/68/61/491136861.db2.gz IHMYWULNWGDGQZ-UHFFFAOYSA-N 1 0 232.736 2.089 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000651807970 491075740 /nfs/dbraw/zinc/07/57/40/491075740.db2.gz ANUDONGSDDUCIV-RAIGVLPGSA-N 1 0 209.333 2.092 20 30 BEEDRO C#CC[N@@H+](CCCc1cncn1C)C1CCCC1 ZINC000491726265 491080153 /nfs/dbraw/zinc/08/01/53/491080153.db2.gz CWZQFSJZCROTGS-UHFFFAOYSA-N 1 0 245.370 2.231 20 30 BEEDRO C=CC[N@@H+](CC(=O)NC(C)(C)C)C(C)(C)C ZINC000661754747 491090906 /nfs/dbraw/zinc/09/09/06/491090906.db2.gz CVCUIUPMVDPOBO-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)s1)CC(C)(C)O ZINC000126682693 491125066 /nfs/dbraw/zinc/12/50/66/491125066.db2.gz YXMKQGWXANCTJL-UHFFFAOYSA-N 1 0 238.356 2.213 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CC)Cc1ccoc1 ZINC000126377182 491131861 /nfs/dbraw/zinc/13/18/61/491131861.db2.gz XNAHSFCJLNHOIP-CYBMUJFWSA-N 1 0 223.316 2.429 20 30 BEEDRO CC#CCN1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000081532909 491135244 /nfs/dbraw/zinc/13/52/44/491135244.db2.gz AUQUPEUQIHJSGK-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)C(F)(F)F ZINC000309030014 491142614 /nfs/dbraw/zinc/14/26/14/491142614.db2.gz DANYSPYGMGQXEE-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCc2cccnc21 ZINC000310172245 491160652 /nfs/dbraw/zinc/16/06/52/491160652.db2.gz PYIDQOVACXHBNX-ZDUSSCGKSA-N 1 0 232.327 2.251 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC#N)CC1 ZINC001172776192 974938411 /nfs/dbraw/zinc/93/84/11/974938411.db2.gz JBDVISATPREFRP-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000891269908 582649387 /nfs/dbraw/zinc/64/93/87/582649387.db2.gz VDPWWSVGAPHECM-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO CCn1cc(C[NH2+]CC2CCC(C#N)CC2)cn1 ZINC000281711364 536070287 /nfs/dbraw/zinc/07/02/87/536070287.db2.gz OLXBJJQXVCBJRX-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340378631 534325493 /nfs/dbraw/zinc/32/54/93/534325493.db2.gz DHRBINAGSJEULN-XQQFMLRXSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCOC1(C)C ZINC000340378629 534326719 /nfs/dbraw/zinc/32/67/19/534326719.db2.gz DHRBINAGSJEULN-AVGNSLFASA-N 1 0 239.359 2.125 20 30 BEEDRO C[NH+]=C(NC[C@H]1CCCC(F)(F)C1)NC1CC1 ZINC000261837807 536304123 /nfs/dbraw/zinc/30/41/23/536304123.db2.gz OWFHZSINHPSTQS-VIFPVBQESA-N 1 0 245.317 2.139 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348710547 534354942 /nfs/dbraw/zinc/35/49/42/534354942.db2.gz ZXUFBTOYVGOMLX-GUTXKFCHSA-N 1 0 248.370 2.348 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000309736422 534355471 /nfs/dbraw/zinc/35/54/71/534355471.db2.gz GPDJTVUXHNOIBL-IVZWLZJFSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000341266772 534358783 /nfs/dbraw/zinc/35/87/83/534358783.db2.gz BUQVMDRZQVPUGJ-GMXVVIOVSA-N 1 0 233.359 2.457 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000343497931 534358862 /nfs/dbraw/zinc/35/88/62/534358862.db2.gz GQKNTZRVNGOYMU-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)CSC ZINC000223787786 534357558 /nfs/dbraw/zinc/35/75/58/534357558.db2.gz QAWQHOIVXSPKCN-SDDRHHMPSA-N 1 0 231.405 2.291 20 30 BEEDRO C=C(CNC(=[NH2+])NC1CCC1)c1ccccc1 ZINC000263127375 534368280 /nfs/dbraw/zinc/36/82/80/534368280.db2.gz MPOJLVYPXFUXFV-UHFFFAOYSA-N 1 0 229.327 2.157 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000280749632 534369286 /nfs/dbraw/zinc/36/92/86/534369286.db2.gz XSZFBFPZKGQGPM-DZGCQCFKSA-N 1 0 247.338 2.463 20 30 BEEDRO C=C(CC)C[N@H+](C)C1(C(=O)OC)CCCC1 ZINC000358619433 534370154 /nfs/dbraw/zinc/37/01/54/534370154.db2.gz GUWXQHWWWBFYGE-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(CC)C[N@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351646653 534378396 /nfs/dbraw/zinc/37/83/96/534378396.db2.gz HHKLMYLVTNUJSB-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000358510805 534378688 /nfs/dbraw/zinc/37/86/88/534378688.db2.gz PXNVJMLXSBHUKY-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000358500831 534385767 /nfs/dbraw/zinc/38/57/67/534385767.db2.gz QJVIPHKKMZNDTM-ZJUUUORDSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000358504333 534388587 /nfs/dbraw/zinc/38/85/87/534388587.db2.gz FUMQFLIHAZBEBC-ZDUSSCGKSA-N 1 0 219.332 2.486 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000358506149 534389405 /nfs/dbraw/zinc/38/94/05/534389405.db2.gz ILZPQGWRYCNMTD-LBPRGKRZSA-N 1 0 234.347 2.259 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000358835265 534391347 /nfs/dbraw/zinc/39/13/47/534391347.db2.gz VQBFHWIISVXTDQ-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=C(CC)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000336145836 534395900 /nfs/dbraw/zinc/39/59/00/534395900.db2.gz NNIOCPRWXNTLCI-RYUDHWBXSA-N 1 0 227.373 2.159 20 30 BEEDRO C=C(CC)C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000335645603 534400473 /nfs/dbraw/zinc/40/04/73/534400473.db2.gz QALDNUWJMHSUGI-UHFFFAOYSA-N 1 0 217.316 2.109 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000358620493 534397210 /nfs/dbraw/zinc/39/72/10/534397210.db2.gz MLMBBGFEAWEZBW-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1c(F)cccc1F ZINC000341266655 534398418 /nfs/dbraw/zinc/39/84/18/534398418.db2.gz ANRQWIGRQVFFJJ-JTQLQIEISA-N 1 0 241.281 2.239 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000344304924 534400266 /nfs/dbraw/zinc/40/02/66/534400266.db2.gz OKPLYGVDGXOROL-JSGCOSHPSA-N 1 0 244.338 2.393 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC12CCCC2 ZINC000336688973 534400933 /nfs/dbraw/zinc/40/09/33/534400933.db2.gz VFOLWKHFTKOUHG-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000335700050 534401102 /nfs/dbraw/zinc/40/11/02/534401102.db2.gz SKHHMIWYBVQDMI-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000336309640 534401685 /nfs/dbraw/zinc/40/16/85/534401685.db2.gz CGJKRTRAAMEBPR-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000361502282 534401886 /nfs/dbraw/zinc/40/18/86/534401886.db2.gz WBDXNZZSMZLNPA-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000342728630 534402714 /nfs/dbraw/zinc/40/27/14/534402714.db2.gz XEQDWXVVDICTKO-RWMBFGLXSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000336551265 534402997 /nfs/dbraw/zinc/40/29/97/534402997.db2.gz JAQYOTSBNDJPDZ-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000377644488 534440627 /nfs/dbraw/zinc/44/06/27/534440627.db2.gz OQGNHXJQBOJZKW-NSHDSACASA-N 1 0 217.740 2.079 20 30 BEEDRO CCCCCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000059082330 519962928 /nfs/dbraw/zinc/96/29/28/519962928.db2.gz LMDBOFAGDMHTCD-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000059082325 519963461 /nfs/dbraw/zinc/96/34/61/519963461.db2.gz BCUPOPRAPOCLPL-CYBMUJFWSA-N 1 0 240.391 2.463 20 30 BEEDRO C=C1CC[NH+](CCC2CCOCC2)CC1 ZINC000335748685 534465760 /nfs/dbraw/zinc/46/57/60/534465760.db2.gz NUNLXFTYNPKNAC-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000336500411 534468001 /nfs/dbraw/zinc/46/80/01/534468001.db2.gz IVXAHNUYVPATQM-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCNC(=[NH2+])NCCCCCCSC ZINC000181373587 534519969 /nfs/dbraw/zinc/51/99/69/534519969.db2.gz YVIIFCNUTNXLDC-UHFFFAOYSA-N 1 0 229.393 2.000 20 30 BEEDRO C=CC1CC[NH+](Cc2ccnn2CC)CC1 ZINC000124993184 534530424 /nfs/dbraw/zinc/53/04/24/534530424.db2.gz LDNGYQXFXLLRBF-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309477844 534540113 /nfs/dbraw/zinc/54/01/13/534540113.db2.gz CMFZMYSRHMCIRT-KYHHOPLUSA-N 1 0 237.265 2.244 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1C ZINC000289785051 534540223 /nfs/dbraw/zinc/54/02/23/534540223.db2.gz JSULDBRHBCRTIP-LBPRGKRZSA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC000289574538 534541657 /nfs/dbraw/zinc/54/16/57/534541657.db2.gz BDHQYFVWJLJXPN-ZFWWWQNUSA-N 1 0 233.355 2.453 20 30 BEEDRO C=CCC(CC=C)C(=O)NC(CC)(CC)C[NH3+] ZINC000236730806 534563670 /nfs/dbraw/zinc/56/36/70/534563670.db2.gz PGVUGPBQRWDVTG-UHFFFAOYSA-N 1 0 238.375 2.389 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000279767786 534565522 /nfs/dbraw/zinc/56/55/22/534565522.db2.gz BEHRDLDUUWMSFI-UHFFFAOYSA-N 1 0 248.370 2.133 20 30 BEEDRO C=CCC1(CNC2=[NH+]C[C@H](C)N2)CCCC1 ZINC000263174249 534596553 /nfs/dbraw/zinc/59/65/53/534596553.db2.gz SMDTVWDAIIGFGU-NSHDSACASA-N 1 0 221.348 2.060 20 30 BEEDRO C=CCCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000338617286 534601603 /nfs/dbraw/zinc/60/16/03/534601603.db2.gz DPPBUZQVCNAVHC-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000337457309 534612527 /nfs/dbraw/zinc/61/25/27/534612527.db2.gz NPHKUIXLPWFSJI-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000356767064 534613412 /nfs/dbraw/zinc/61/34/12/534613412.db2.gz ITXMAGXXUAUVDP-JSGCOSHPSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCCCC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000360125239 534647830 /nfs/dbraw/zinc/64/78/30/534647830.db2.gz WVQLZTVXIMJXAH-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000175527925 534656977 /nfs/dbraw/zinc/65/69/77/534656977.db2.gz UEAXSIZMBZNLEO-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCC(=O)NCC[N@@H+](C)CCCC ZINC000359123714 534658043 /nfs/dbraw/zinc/65/80/43/534658043.db2.gz JNQXGTHDOQQYOX-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCCC(=O)NCCC[N@@H+](C)C(C)C ZINC000359071116 534657327 /nfs/dbraw/zinc/65/73/27/534657327.db2.gz PDJNORJXOQMNFS-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000262549527 534663230 /nfs/dbraw/zinc/66/32/30/534663230.db2.gz XCZAHRMLFAKBEF-STQMWFEESA-N 1 0 245.370 2.320 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cc(C)ncn1 ZINC000336515275 534695588 /nfs/dbraw/zinc/69/55/88/534695588.db2.gz NKFFCXOGSCINSN-ZDUSSCGKSA-N 1 0 217.316 2.326 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000361889053 534700676 /nfs/dbraw/zinc/70/06/76/534700676.db2.gz NKXXEUXOFDFYCU-GXTWGEPZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC#CC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000253097593 534709667 /nfs/dbraw/zinc/70/96/67/534709667.db2.gz RUFIOYOAPCLRBQ-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000121125275 534711324 /nfs/dbraw/zinc/71/13/24/534711324.db2.gz 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JEZQHARZVUNYJG-CHWSQXEVSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)C[C@@H](C)O)cc1 ZINC000130704401 534882569 /nfs/dbraw/zinc/88/25/69/534882569.db2.gz FLNIVRZMDUAKCZ-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CCOc1ccc(C[N@H+](CC)C[C@@H](C)O)cc1 ZINC000348744614 534882691 /nfs/dbraw/zinc/88/26/91/534882691.db2.gz ZNSRLSRPEZEMRH-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO CC1(C)C[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262258298 534900329 /nfs/dbraw/zinc/90/03/29/534900329.db2.gz FVBOSIGYLLKYMW-SNVBAGLBSA-N 1 0 239.269 2.490 20 30 BEEDRO CC#CCCCC(=O)NC[C@H](C)[NH+](CC)CC ZINC000185040023 526297395 /nfs/dbraw/zinc/29/73/95/526297395.db2.gz HRWFOKGCIOSDLK-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404148212 526339133 /nfs/dbraw/zinc/33/91/33/526339133.db2.gz QCLYLAPKDAUFLU-UHFFFAOYSA-N 1 0 216.259 2.200 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000508976002 526455472 /nfs/dbraw/zinc/45/54/72/526455472.db2.gz FTCRDZGSYBSZMC-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493200833 526463242 /nfs/dbraw/zinc/46/32/42/526463242.db2.gz MNEQIPUEDIYYNU-LLVKDONJSA-N 1 0 240.347 2.114 20 30 BEEDRO C=C(C)C[N@H+](CCCO)Cc1ccccc1 ZINC000269009757 526550317 /nfs/dbraw/zinc/55/03/17/526550317.db2.gz UHLSTLAOUNVMST-UHFFFAOYSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@@H]1CC ZINC000472352183 526607773 /nfs/dbraw/zinc/60/77/73/526607773.db2.gz VXFBGSAXDMUJRP-KBPBESRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](CC)N(C(C)=O)C[C@H]1CC ZINC000472352187 526608743 /nfs/dbraw/zinc/60/87/43/526608743.db2.gz VXFBGSAXDMUJRP-ZIAGYGMSSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(CC)C[N@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000494486942 526851878 /nfs/dbraw/zinc/85/18/78/526851878.db2.gz RUJUOFDJTULOMH-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1 ZINC000305738698 526867143 /nfs/dbraw/zinc/86/71/43/526867143.db2.gz WSIUOZBJJCJNJT-AWEZNQCLSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1 ZINC000471809748 526874340 /nfs/dbraw/zinc/87/43/40/526874340.db2.gz MQFKNOCJOXHRNR-GXTWGEPZSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CC[N@H+](CCCc1ccncc1)C1CC1 ZINC000491805576 526901044 /nfs/dbraw/zinc/90/10/44/526901044.db2.gz OKPYCJBXYRHRQE-UHFFFAOYSA-N 1 0 214.312 2.112 20 30 BEEDRO C#CC[N@@H+](CCc1ccnn1C)C1CCCCC1 ZINC000491155296 526901083 /nfs/dbraw/zinc/90/10/83/526901083.db2.gz QKFYODAIBBZQLI-UHFFFAOYSA-N 1 0 245.370 2.231 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CCC)C1CCCC1 ZINC000491714647 526902608 /nfs/dbraw/zinc/90/26/08/526902608.db2.gz HAAYOTRKIPHCLF-CYBMUJFWSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000471804448 526902871 /nfs/dbraw/zinc/90/28/71/526902871.db2.gz MRTXXTTYRRYKMA-JSGCOSHPSA-N 1 0 247.338 2.207 20 30 BEEDRO C=C1CC[NH+](CCCSCCOC)CC1 ZINC000487921113 526902923 /nfs/dbraw/zinc/90/29/23/526902923.db2.gz VNSLOMIFXLAJPK-UHFFFAOYSA-N 1 0 229.389 2.408 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCn2ccnc2C1 ZINC000494424819 527001521 /nfs/dbraw/zinc/00/15/21/527001521.db2.gz JIAUTIQIROAIDQ-LBPRGKRZSA-N 1 0 246.358 2.117 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000340428352 527019909 /nfs/dbraw/zinc/01/99/09/527019909.db2.gz YELWVHVNKUOVHO-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC000495727896 527128993 /nfs/dbraw/zinc/12/89/93/527128993.db2.gz KJMUQUGALKGFEH-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000459421495 527139291 /nfs/dbraw/zinc/13/92/91/527139291.db2.gz ZNAXRMIDJBOKPB-WHOHXGKFSA-N 1 0 229.389 2.450 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000491661256 527212298 /nfs/dbraw/zinc/21/22/98/527212298.db2.gz ZNWVBXJBKAJWGO-GFCCVEGCSA-N 1 0 227.307 2.416 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000306712233 527232877 /nfs/dbraw/zinc/23/28/77/527232877.db2.gz OODMATWZMZMEAN-UHFFFAOYSA-N 1 0 242.363 2.457 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(OC)C1)c1ccc(F)cc1 ZINC000491752379 527290324 /nfs/dbraw/zinc/29/03/24/527290324.db2.gz MBIACHVECBFEFI-JXQTWKCFSA-N 1 0 233.286 2.267 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000491374085 527294435 /nfs/dbraw/zinc/29/44/35/527294435.db2.gz PTVYYUYALHUXKL-MROQNXINSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@@H]1COC(=O)NCC ZINC000495745680 527325968 /nfs/dbraw/zinc/32/59/68/527325968.db2.gz AZNTUESVKSAIID-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000495515972 527328146 /nfs/dbraw/zinc/32/81/46/527328146.db2.gz PIBILTNLVRRTRX-NEPJUHHUSA-N 1 0 240.347 2.019 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000491743808 527333342 /nfs/dbraw/zinc/33/33/42/527333342.db2.gz WVBHEWTUNHEEQR-GXFFZTMASA-N 1 0 237.730 2.327 20 30 BEEDRO C#C[C@H](CC)[NH2+]CCCc1ccc(C)nc1 ZINC000310034681 527361729 /nfs/dbraw/zinc/36/17/29/527361729.db2.gz SNLQJPALUOAIRN-CQSZACIVSA-N 1 0 216.328 2.324 20 30 BEEDRO C#C[C@H]([NH2+]CC1(CC)CCOCC1)C(C)C ZINC000310004024 527409368 /nfs/dbraw/zinc/40/93/68/527409368.db2.gz FWWDXFUXIIMHBQ-ZDUSSCGKSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000308491276 527409574 /nfs/dbraw/zinc/40/95/74/527409574.db2.gz BPYWDKQSTBYFMX-QWRGUYRKSA-N 1 0 211.374 2.377 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)CC1CCCC1)C(C)C ZINC000300912570 527409622 /nfs/dbraw/zinc/40/96/22/527409622.db2.gz MAHRKQBRHXJMGF-KGLIPLIRSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)COC(C)C)C(C)(C)C ZINC000308854769 527413290 /nfs/dbraw/zinc/41/32/90/527413290.db2.gz PNWKCQIOBVHAPP-NEPJUHHUSA-N 1 0 211.349 2.437 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000308817228 527413346 /nfs/dbraw/zinc/41/33/46/527413346.db2.gz AWKIMOAZWUTMRB-TUAOUCFPSA-N 1 0 204.317 2.316 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H]1COCC)C(C)C ZINC000309909600 527414101 /nfs/dbraw/zinc/41/41/01/527414101.db2.gz LVTICQYOFTXWRO-IHRRRGAJSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCO[C@H](CC)C1 ZINC000494457505 527464338 /nfs/dbraw/zinc/46/43/38/527464338.db2.gz ZECLKIFLZHYGEB-UONOGXRCSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCN(C)C(=O)c1ccccc1C[NH+](C)C ZINC000487450918 527570435 /nfs/dbraw/zinc/57/04/35/527570435.db2.gz XHERELSJQZPURT-UHFFFAOYSA-N 1 0 232.327 2.006 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(CC#N)cc1 ZINC000494686656 527575450 /nfs/dbraw/zinc/57/54/50/527575450.db2.gz CJLRSPSHRYQXGX-UHFFFAOYSA-N 1 0 200.285 2.370 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc2c(c1)nnn2C ZINC000505902355 527643496 /nfs/dbraw/zinc/64/34/96/527643496.db2.gz FJBPLAKTBHOGJA-UHFFFAOYSA-N 1 0 242.326 2.142 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264523706 536513487 /nfs/dbraw/zinc/51/34/87/536513487.db2.gz BCLMONVSSNJBES-UHFFFAOYSA-N 1 0 248.326 2.057 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+][C@H]1CCC[C@H]1C#N ZINC000331307427 534950127 /nfs/dbraw/zinc/95/01/27/534950127.db2.gz BCUISYWAJALONZ-AVGNSLFASA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCNC(=[NH2+])Nc1ccccn1 ZINC000170905069 534973627 /nfs/dbraw/zinc/97/36/27/534973627.db2.gz UIVJZEGGSDRBHA-UHFFFAOYSA-N 1 0 220.320 2.389 20 30 BEEDRO CCCCCCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000370556702 534985545 /nfs/dbraw/zinc/98/55/45/534985545.db2.gz IEOUKYBCISHGMS-LBPRGKRZSA-N 1 0 240.347 2.093 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](O)CC1 ZINC000354729957 534995824 /nfs/dbraw/zinc/99/58/24/534995824.db2.gz KCDLCFUGTNJRDE-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000268944562 535006117 /nfs/dbraw/zinc/00/61/17/535006117.db2.gz CIAWELKDICEGCI-CYBMUJFWSA-N 1 0 244.338 2.054 20 30 BEEDRO CC(C)[N@H+](CCCCC#N)[C@@H]1CCOC1 ZINC000361419698 535052814 /nfs/dbraw/zinc/05/28/14/535052814.db2.gz GQOIUWLAIOKPRH-GFCCVEGCSA-N 1 0 210.321 2.180 20 30 BEEDRO CC(C)[N@H+](CCCSCC#N)[C@H]1CCOC1 ZINC000361427626 535056082 /nfs/dbraw/zinc/05/60/82/535056082.db2.gz UTHZNSORPFNVEL-LBPRGKRZSA-N 1 0 242.388 2.133 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCC#N)[C@@H]2CCCO[C@H]21 ZINC000309363762 535069332 /nfs/dbraw/zinc/06/93/32/535069332.db2.gz AWPDJPWPZJOWRK-QJPTWQEYSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCO[C@H]21 ZINC000349375745 535077886 /nfs/dbraw/zinc/07/78/86/535077886.db2.gz CXAKMECMDSMCAY-OBPIAQAESA-N 1 0 234.343 2.082 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]2CCO[C@H]21 ZINC000248852718 535078163 /nfs/dbraw/zinc/07/81/63/535078163.db2.gz OXGLOPNCMZBJIH-RYMFRWLXSA-N 1 0 248.370 2.472 20 30 BEEDRO CC1(C[NH2+][C@@H]2CCc3ccc(C#N)cc32)COC1 ZINC000336004357 535157789 /nfs/dbraw/zinc/15/77/89/535157789.db2.gz ZNQRSFLXPKFLRC-CQSZACIVSA-N 1 0 242.322 2.172 20 30 BEEDRO CC(C)(CO)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185841905 535165396 /nfs/dbraw/zinc/16/53/96/535165396.db2.gz ROKQKVPQAZWSSR-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[NH+]1CCN(CCCC(C)(C)C#N)CC1 ZINC000087608498 535198481 /nfs/dbraw/zinc/19/84/81/535198481.db2.gz OSHHSHRVDMRFSU-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO CCC(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000299323507 535226874 /nfs/dbraw/zinc/22/68/74/535226874.db2.gz IVUBOBJIGYAOKP-UHFFFAOYSA-N 1 0 235.243 2.133 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267439682 535261807 /nfs/dbraw/zinc/26/18/07/535261807.db2.gz OTFPHERSAZQKCV-KGLIPLIRSA-N 1 0 245.370 2.322 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2(CO)CCC2)CC1 ZINC000332502106 535273518 /nfs/dbraw/zinc/27/35/18/535273518.db2.gz ZPVAWFLCZFTLJP-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCc1ccccc1F ZINC000264136344 535384986 /nfs/dbraw/zinc/38/49/86/535384986.db2.gz VJDMPMOSFOXCLM-UHFFFAOYSA-N 1 0 237.322 2.276 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000264128585 535389278 /nfs/dbraw/zinc/38/92/78/535389278.db2.gz SQQKUCUROLLDQK-LBPRGKRZSA-N 1 0 233.359 2.447 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@]1(C)C(C)C ZINC000263147488 535391130 /nfs/dbraw/zinc/39/11/30/535391130.db2.gz OZOQOPSAJOSUFO-CMPLNLGQSA-N 1 0 211.353 2.078 20 30 BEEDRO CC[NH+](CC)CCCN1CCC(C)(C#N)CC1 ZINC000338290289 535509520 /nfs/dbraw/zinc/50/95/20/535509520.db2.gz QMQWNUUFLJIXTG-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO CC[NH+](CC)CCCN1CCC(F)(C#N)CC1 ZINC000352449422 535509722 /nfs/dbraw/zinc/50/97/22/535509722.db2.gz MRSSNNXMPRSVAK-UHFFFAOYSA-N 1 0 241.354 2.046 20 30 BEEDRO CCOCC[N@H+](CC)[C@@H]1CC[C@@H](C#N)C1 ZINC000338981293 535586627 /nfs/dbraw/zinc/58/66/27/535586627.db2.gz KYIZXAHZBXSIMW-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CCOc1ccc(CNC(=[NH2+])NCC(C)C)cc1 ZINC000264054222 535712144 /nfs/dbraw/zinc/71/21/44/535712144.db2.gz ACWXFLTVPFKJPV-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO CCC[C@]1(CO)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339206709 535768789 /nfs/dbraw/zinc/76/87/89/535768789.db2.gz WWEMVNOMDZBJTE-IHRRRGAJSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CC[C@@H](C#N)C1 ZINC000338943284 535769595 /nfs/dbraw/zinc/76/95/95/535769595.db2.gz KIOLKRQFTLYNMX-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263185842 535821331 /nfs/dbraw/zinc/82/13/31/535821331.db2.gz UWBXASFXAOEXGH-VXGBXAGGSA-N 1 0 223.364 2.094 20 30 BEEDRO CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361436301 535830984 /nfs/dbraw/zinc/83/09/84/535830984.db2.gz URWJSTMJOPXOGN-AAEUAGOBSA-N 1 0 246.358 2.154 20 30 BEEDRO CCc1cnccc1[C@@H](C)[NH2+]CCOCCC#N ZINC000339081941 536096395 /nfs/dbraw/zinc/09/63/95/536096395.db2.gz OJGDEHPVVCGLHJ-GFCCVEGCSA-N 1 0 247.342 2.225 20 30 BEEDRO CC[C@H](C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315178 536129532 /nfs/dbraw/zinc/12/95/32/536129532.db2.gz QLHCENZQNNWFMB-JTQLQIEISA-N 1 0 205.305 2.032 20 30 BEEDRO CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000262501912 536305112 /nfs/dbraw/zinc/30/51/12/536305112.db2.gz YRULVJACDMNBGR-UONOGXRCSA-N 1 0 239.322 2.230 20 30 BEEDRO CNC(=[NH2+])N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000262437958 536305569 /nfs/dbraw/zinc/30/55/69/536305569.db2.gz XQYUCLUTGOSNMS-HOMQSWHASA-N 1 0 237.734 2.120 20 30 BEEDRO C[NH2+][C@@H](C)CNc1c(C#N)cnc2ccccc21 ZINC000261556638 536344447 /nfs/dbraw/zinc/34/44/47/536344447.db2.gz CCILJIOFXAAKOP-JTQLQIEISA-N 1 0 240.310 2.126 20 30 BEEDRO C[NH2+][C@H](C)CNc1c(C#N)cnc2ccccc21 ZINC000261556639 536404381 /nfs/dbraw/zinc/40/43/81/536404381.db2.gz CCILJIOFXAAKOP-SNVBAGLBSA-N 1 0 240.310 2.126 20 30 BEEDRO COC(=O)CCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000348903135 536447356 /nfs/dbraw/zinc/44/73/56/536447356.db2.gz GDKWJXXBZHXSDY-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO C[N@H+](Cc1cccc(F)c1C#N)[C@@H]1CCC[C@H]1O ZINC000335687406 536477083 /nfs/dbraw/zinc/47/70/83/536477083.db2.gz DFLLYXRAPZTSQC-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO COCCC[N@H+](C)CCCC(C)(C)C#N ZINC000087608712 536496174 /nfs/dbraw/zinc/49/61/74/536496174.db2.gz YLGRIJKHLVWGMG-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@H]2CC[C@@H]2C)cc1 ZINC000262629301 536655817 /nfs/dbraw/zinc/65/58/17/536655817.db2.gz FHTJAPNQBISRDK-CABZTGNLSA-N 1 0 233.315 2.220 20 30 BEEDRO COCC1(C#N)CCN(c2cc[nH+]cc2C)CC1 ZINC000343162572 536801488 /nfs/dbraw/zinc/80/14/88/536801488.db2.gz QQKOLZOUOQFGHZ-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO COCC1(C#N)CC[NH+](CCC(C)C)CC1 ZINC000341969326 536801554 /nfs/dbraw/zinc/80/15/54/536801554.db2.gz BUWFPFJVQCXQHC-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO COCC[N@H+](CCCC#N)CCc1ccccc1 ZINC000299365705 536832837 /nfs/dbraw/zinc/83/28/37/536832837.db2.gz DROLTPBCWCBXLV-UHFFFAOYSA-N 1 0 246.354 2.481 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000651825922 566350740 /nfs/dbraw/zinc/35/07/40/566350740.db2.gz YNZWPUWVSOLUPV-XDQVBPFNSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000651825923 566350786 /nfs/dbraw/zinc/35/07/86/566350786.db2.gz YNZWPUWVSOLUPV-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC(C)(C)CC(=O)O[C@H](CC)C[NH+](C)C ZINC000893291310 583089656 /nfs/dbraw/zinc/08/96/56/583089656.db2.gz PYDUYCRTTHFKOR-LLVKDONJSA-N 1 0 227.348 2.472 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCC[C@H](C)C1 ZINC000104179520 583158591 /nfs/dbraw/zinc/15/85/91/583158591.db2.gz CMKWFHCRVBTKCA-NWDGAFQWSA-N 1 0 225.380 2.469 20 30 BEEDRO C[C@@H](C#N)C[NH2+]CCc1ccc(F)c(F)c1 ZINC000893544193 583160151 /nfs/dbraw/zinc/16/01/51/583160151.db2.gz KAILBNGFLZJGBM-VIFPVBQESA-N 1 0 224.254 2.257 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000893550467 583162705 /nfs/dbraw/zinc/16/27/05/583162705.db2.gz CYEPCKNXPZEDBN-WPRPVWTQSA-N 1 0 245.164 2.299 20 30 BEEDRO C#Cc1cccnc1NCCC[NH+](CC)CC ZINC000853085126 588719046 /nfs/dbraw/zinc/71/90/46/588719046.db2.gz GWGMGHQRNQKVHX-UHFFFAOYSA-N 1 0 231.343 2.207 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853105732 588720341 /nfs/dbraw/zinc/72/03/41/588720341.db2.gz VRWXISBHVOJYGM-CYBMUJFWSA-N 1 0 220.316 2.061 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853105299 588720349 /nfs/dbraw/zinc/72/03/49/588720349.db2.gz DWBIHSWMAGLPJU-ZDUSSCGKSA-N 1 0 234.343 2.307 20 30 BEEDRO FC(F)(F)[C@@H]1CCC[C@H](C=[NH+]n2cnnc2)C1 ZINC000853253863 588729442 /nfs/dbraw/zinc/72/94/42/588729442.db2.gz HIIBOXWPOPNALX-DTWKUNHWSA-N 1 0 246.236 2.481 20 30 BEEDRO C=CC[C@H]1CCCCC1=[NH+]n1cnnc1 ZINC000853254547 588729670 /nfs/dbraw/zinc/72/96/70/588729670.db2.gz WZHCKFKDOVIWFS-JTQLQIEISA-N 1 0 204.277 2.249 20 30 BEEDRO C#CC1CCC(=NNCC[NH+]2CCCCC2)CC1 ZINC000853291537 588731221 /nfs/dbraw/zinc/73/12/21/588731221.db2.gz KQDAUIHUWOEUAK-UHFFFAOYSA-N 1 0 247.386 2.241 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOCC1CCC1 ZINC000853439576 588742817 /nfs/dbraw/zinc/74/28/17/588742817.db2.gz MEYJMYHBLLTITP-JTQLQIEISA-N 1 0 222.332 2.273 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CN2CC[C@@H](C)C2=O)C1 ZINC000853537133 588748030 /nfs/dbraw/zinc/74/80/30/588748030.db2.gz PRFDOURNSARBRN-OLZOCXBDSA-N 1 0 236.359 2.100 20 30 BEEDRO C#Cc1cccnc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000853749114 588761022 /nfs/dbraw/zinc/76/10/22/588761022.db2.gz WDZBSUHWYSRKAS-CYBMUJFWSA-N 1 0 243.354 2.348 20 30 BEEDRO C=CCCc1noc(-c2cccc3c2C[NH2+]C3)n1 ZINC000854160153 588777434 /nfs/dbraw/zinc/77/74/34/588777434.db2.gz MFKMRMZZAFUBLI-UHFFFAOYSA-N 1 0 241.294 2.458 20 30 BEEDRO C=CCCCCCCNC(=O)C1([NH+](C)C)CC1 ZINC000854451939 588787417 /nfs/dbraw/zinc/78/74/17/588787417.db2.gz LGAZMXMRVWHPOV-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@@](C)(CC)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000854698167 588802943 /nfs/dbraw/zinc/80/29/43/588802943.db2.gz SRWQVWTVWNRQQH-JSGCOSHPSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858577155 582468235 /nfs/dbraw/zinc/46/82/35/582468235.db2.gz ACIOEYFSIGDGPT-NWDGAFQWSA-N 1 0 242.363 2.119 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000890549135 582470801 /nfs/dbraw/zinc/47/08/01/582470801.db2.gz HSERSDXXSXTXCO-JSGCOSHPSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CCCCN(CC)C(=O)C(=C)CC[NH+](C)C ZINC000890809120 582571293 /nfs/dbraw/zinc/57/12/93/582571293.db2.gz LHYPRAQCHQPTLM-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CCCCN(CC)C(=O)C[N@@H+](C)CCC ZINC000890813765 582574797 /nfs/dbraw/zinc/57/47/97/582574797.db2.gz GGHJUQUTVJEIJA-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000847017328 582674036 /nfs/dbraw/zinc/67/40/36/582674036.db2.gz BSHBHCBAWXNJMP-QWHCGFSZSA-N 1 0 229.327 2.191 20 30 BEEDRO Cc1cc(C#N)nc(NCC(C)(C)[NH+](C)C)c1 ZINC000891495763 582693467 /nfs/dbraw/zinc/69/34/67/582693467.db2.gz VHVYLRZKJIZQLV-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@@H]1CO[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000891669867 582708622 /nfs/dbraw/zinc/70/86/22/582708622.db2.gz FVFPQXWALHVOQT-ZJUUUORDSA-N 1 0 236.340 2.229 20 30 BEEDRO CCN(Cc1cnn(C)c1C1CC1)C[C@H](C)C#N ZINC000891716343 582712993 /nfs/dbraw/zinc/71/29/93/582712993.db2.gz OSSGJEGPCBGLNX-LLVKDONJSA-N 1 0 246.358 2.279 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NCCC(C)(C)[NH3+] ZINC000891754238 582716687 /nfs/dbraw/zinc/71/66/87/582716687.db2.gz ZIRLFIOHCLNPKY-NSHDSACASA-N 1 0 241.379 2.158 20 30 BEEDRO CC(C)C1CCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000779799917 582735356 /nfs/dbraw/zinc/73/53/56/582735356.db2.gz YMTCMPLLCIXQGU-NFJWQWPMSA-N 1 0 236.363 2.126 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCCO2)cc1 ZINC000104152301 582791882 /nfs/dbraw/zinc/79/18/82/582791882.db2.gz ZWSGGZBUCHBAGX-ZDUSSCGKSA-N 1 0 247.342 2.155 20 30 BEEDRO Cc1ccccc1C1(CNC(=[NH2+])NC(C)C)CC1 ZINC000104192623 582792399 /nfs/dbraw/zinc/79/23/99/582792399.db2.gz UXRWVGOCNFDKQF-UHFFFAOYSA-N 1 0 245.370 2.339 20 30 BEEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@@H]1CCOC1 ZINC000892179544 582805977 /nfs/dbraw/zinc/80/59/77/582805977.db2.gz JACYRQRZQNSUHS-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC#N)c1 ZINC000849023300 582829644 /nfs/dbraw/zinc/82/96/44/582829644.db2.gz HTONPLVHVYQIIU-UHFFFAOYSA-N 1 0 216.288 2.153 20 30 BEEDRO C=CCC1(CNC(=[NH2+])NCC)CCCC1 ZINC000849038057 582838646 /nfs/dbraw/zinc/83/86/46/582838646.db2.gz HOSSBLRPABCFKF-UHFFFAOYSA-N 1 0 209.337 2.257 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCCn1cncn1 ZINC000393780444 582924205 /nfs/dbraw/zinc/92/42/05/582924205.db2.gz QVMSNSFTGKFRRB-GFCCVEGCSA-N 1 0 222.336 2.003 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCN(C)C(=O)OC ZINC000850547284 582928604 /nfs/dbraw/zinc/92/86/04/582928604.db2.gz RQYXXFPJGNMERP-GFCCVEGCSA-N 1 0 242.363 2.409 20 30 BEEDRO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000892674522 582949030 /nfs/dbraw/zinc/94/90/30/582949030.db2.gz WTHQQCQRWLCNDD-NWDGAFQWSA-N 1 0 244.342 2.156 20 30 BEEDRO C#CC[N@@H+](C[C@H]1COC(C)(C)O1)C1CCCC1 ZINC000851809427 582968765 /nfs/dbraw/zinc/96/87/65/582968765.db2.gz WEVMGPYPIPPLDQ-ZDUSSCGKSA-N 1 0 237.343 2.016 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1COC(C)(C)O1)C1CCCC1 ZINC000851809426 582969124 /nfs/dbraw/zinc/96/91/24/582969124.db2.gz WEVMGPYPIPPLDQ-CYBMUJFWSA-N 1 0 237.343 2.016 20 30 BEEDRO CCCCCCCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000111208617 582980213 /nfs/dbraw/zinc/98/02/13/582980213.db2.gz DLWWWWMVRGQUBY-LLVKDONJSA-N 1 0 214.353 2.153 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCC1(C#N)CCOCC1 ZINC000852104034 583003313 /nfs/dbraw/zinc/00/33/13/583003313.db2.gz YXVDMWYAVKAFRY-CQSZACIVSA-N 1 0 248.370 2.478 20 30 BEEDRO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000893077520 583043058 /nfs/dbraw/zinc/04/30/58/583043058.db2.gz LFEKAWMHLDKOCG-QWRGUYRKSA-N 1 0 246.310 2.160 20 30 BEEDRO CO[C@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000893284206 583085175 /nfs/dbraw/zinc/08/51/75/583085175.db2.gz DARYXFVPZAXTOC-HOTGVXAUSA-N 1 0 243.350 2.443 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000893284394 583085428 /nfs/dbraw/zinc/08/54/28/583085428.db2.gz QUZFHCRQBJDCDT-DZGCQCFKSA-N 1 0 245.366 2.491 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000893284207 583085520 /nfs/dbraw/zinc/08/55/20/583085520.db2.gz DARYXFVPZAXTOC-HZPDHXFCSA-N 1 0 243.350 2.443 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CCOCC3(CC3)C2)cs1 ZINC000893502459 583154490 /nfs/dbraw/zinc/15/44/90/583154490.db2.gz LZIHZVYCTKLQDQ-UHFFFAOYSA-N 1 0 248.351 2.232 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)C#N)[C@@H]1COc2ccccc2C1 ZINC000893544464 583160271 /nfs/dbraw/zinc/16/02/71/583160271.db2.gz LKNUWPLMMKHIDY-BZPMIXESSA-N 1 0 244.338 2.375 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CSCCC)[C@H]1CCCO1 ZINC000893677959 583196589 /nfs/dbraw/zinc/19/65/89/583196589.db2.gz YNFALJNJEYZGPK-RWMBFGLXSA-N 1 0 241.400 2.289 20 30 BEEDRO C=CC[C@H](CC)Nc1nc(N)cc(C)[nH+]1 ZINC000893685876 583198984 /nfs/dbraw/zinc/19/89/84/583198984.db2.gz ZDPCYYYWTFGPDE-VIFPVBQESA-N 1 0 206.293 2.134 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CCC(O)CC1 ZINC000893691567 583200088 /nfs/dbraw/zinc/20/00/88/583200088.db2.gz UMXBWBTZZJLBMS-VOMCLLRMSA-N 1 0 224.348 2.208 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cncc(OCC)c2)C1 ZINC000857049235 588883873 /nfs/dbraw/zinc/88/38/73/588883873.db2.gz HVHXNNSUGHWLQT-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1c2c(nn1C)CCC2 ZINC000894091921 583299656 /nfs/dbraw/zinc/29/96/56/583299656.db2.gz VUHWOBDETAMNGI-LBPRGKRZSA-N 1 0 245.370 2.449 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000877303815 583309597 /nfs/dbraw/zinc/30/95/97/583309597.db2.gz NFHWLQLQRNKKOC-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000877512880 583320060 /nfs/dbraw/zinc/32/00/60/583320060.db2.gz FEBPSSFQRMFEKW-XUXIUFHCSA-N 1 0 233.355 2.336 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)cccc1O)C(C)C ZINC000877513043 583320067 /nfs/dbraw/zinc/32/00/67/583320067.db2.gz JYGGOXSTJUFKQG-ZDUSSCGKSA-N 1 0 217.312 2.448 20 30 BEEDRO CCCCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857207077 588892822 /nfs/dbraw/zinc/89/28/22/588892822.db2.gz RTGOECIXDXPBSQ-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000877514667 583321099 /nfs/dbraw/zinc/32/10/99/583321099.db2.gz SNCJLWIUFXGXEN-ZIAGYGMSSA-N 1 0 228.339 2.124 20 30 BEEDRO Cc1cc(C[NH2+]CC2(CC#N)CC2)cnc1F ZINC000894197226 583335059 /nfs/dbraw/zinc/33/50/59/583335059.db2.gz DIZQCPSPMQUDBP-UHFFFAOYSA-N 1 0 233.290 2.313 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)cc1 ZINC000877836310 583350721 /nfs/dbraw/zinc/35/07/21/583350721.db2.gz UFWQPVLYIOJEKZ-HNNXBMFYSA-N 1 0 243.350 2.261 20 30 BEEDRO C[C@H]1CC(=NOCCC2CC2)C[N@@H+]1C1CC1 ZINC000814246754 583352152 /nfs/dbraw/zinc/35/21/52/583352152.db2.gz DAWCHTJBSIHCOC-JTQLQIEISA-N 1 0 222.332 2.416 20 30 BEEDRO COc1ccc(O)c(/C=N\CC[C@H](C)OC)c1 ZINC000726430449 583354523 /nfs/dbraw/zinc/35/45/23/583354523.db2.gz ZKHARKSXUVSDDF-ADVUTCEVSA-N 1 0 237.299 2.245 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(NC(=O)CCC)CC1 ZINC000877962563 583355886 /nfs/dbraw/zinc/35/58/86/583355886.db2.gz OYBGVSMNSCPYMW-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CC1CC[NH+](C[C@H]2CC3(CCC3)CO2)CC1 ZINC000878016290 583357393 /nfs/dbraw/zinc/35/73/93/583357393.db2.gz LJYJIYKYXJFQCH-CYBMUJFWSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857237808 588900765 /nfs/dbraw/zinc/90/07/65/588900765.db2.gz UFSDLAUVPLLEED-UTUOFQBUSA-N 1 0 224.348 2.065 20 30 BEEDRO CCC[N@H+](CC[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000791052661 583384620 /nfs/dbraw/zinc/38/46/20/583384620.db2.gz AEVGMKDOHRFSMI-UHFFFAOYSA-N 1 0 247.298 2.047 20 30 BEEDRO C#CCCCCC[N@@H+](C)C1(CO)CCC1 ZINC000878643370 583388158 /nfs/dbraw/zinc/38/81/58/583388158.db2.gz HNROOFKTSPFJPG-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894333702 583425962 /nfs/dbraw/zinc/42/59/62/583425962.db2.gz YVOGXCJQOLICQP-QMMMGPOBSA-N 1 0 217.272 2.195 20 30 BEEDRO CC(C)(O)C1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000879628234 583441893 /nfs/dbraw/zinc/44/18/93/583441893.db2.gz MIKBAINAPHBNEP-YPMHNXCESA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000894383452 583442894 /nfs/dbraw/zinc/44/28/94/583442894.db2.gz LGYKQYOYOJMUOX-VIFPVBQESA-N 1 0 209.239 2.119 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(CC2CCC2)c1)C(C)C ZINC000894386775 583443597 /nfs/dbraw/zinc/44/35/97/583443597.db2.gz DNLRKTQJRHHGIX-HNNXBMFYSA-N 1 0 245.370 2.431 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000894384808 583443602 /nfs/dbraw/zinc/44/36/02/583443602.db2.gz WLWXCNYQXVPDDK-GFCCVEGCSA-N 1 0 216.328 2.391 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000894385269 583443607 /nfs/dbraw/zinc/44/36/07/583443607.db2.gz YHMOMVNJLZILDR-NSHDSACASA-N 1 0 228.339 2.380 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(F)c(C)c1)C(C)C ZINC000894386796 583443697 /nfs/dbraw/zinc/44/36/97/583443697.db2.gz FETAKJSUPFSRRH-GFCCVEGCSA-N 1 0 220.291 2.277 20 30 BEEDRO C#C[C@H](C)[NH2+]CC1(CCCOC)CCC1 ZINC000894384750 583443731 /nfs/dbraw/zinc/44/37/31/583443731.db2.gz UNPPSQAGONVYIW-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000894387359 583444115 /nfs/dbraw/zinc/44/41/15/583444115.db2.gz MCFXBJOFYSTZKU-DCBWTQNWSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000894387369 583444887 /nfs/dbraw/zinc/44/48/87/583444887.db2.gz MFCIELUQKGJPRX-JTQLQIEISA-N 1 0 230.267 2.035 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000879963712 583452483 /nfs/dbraw/zinc/45/24/83/583452483.db2.gz NGYOHWBLKRMMBO-YNEHKIRRSA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@@H]1CCCN(c2cc(N)[nH+]cc2Cl)C1 ZINC000894425548 583455840 /nfs/dbraw/zinc/45/58/40/583455840.db2.gz MKFRNZFWIYGHDA-SECBINFHSA-N 1 0 235.718 2.167 20 30 BEEDRO CC(C)(C#N)C[NH2+]Cc1cccc2c1CCOC2 ZINC000894454107 583461869 /nfs/dbraw/zinc/46/18/69/583461869.db2.gz MIWOQIGPWKRCAL-UHFFFAOYSA-N 1 0 244.338 2.399 20 30 BEEDRO COc1cc(C)cc(C[NH2+]CC(C)(C)C#N)c1O ZINC000894454769 583463810 /nfs/dbraw/zinc/46/38/10/583463810.db2.gz XJRNCDZAGCFSCM-UHFFFAOYSA-N 1 0 248.326 2.349 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn(CC)nc1C)C(C)(C)C ZINC000894517812 583476589 /nfs/dbraw/zinc/47/65/89/583476589.db2.gz SJSJXVYETYOPNS-ZDUSSCGKSA-N 1 0 233.359 2.349 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCO)c1ccc(Cl)cc1 ZINC000894552553 583483467 /nfs/dbraw/zinc/48/34/67/583483467.db2.gz IRDPQJJAJZGYKX-MFKMUULPSA-N 1 0 237.730 2.375 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(Cl)cc1 ZINC000894552551 583483779 /nfs/dbraw/zinc/48/37/79/583483779.db2.gz IRDPQJJAJZGYKX-GXFFZTMASA-N 1 0 237.730 2.375 20 30 BEEDRO C#C[C@H](N[C@@H](C)COC(C)=O)c1ccc(F)cc1 ZINC000894575429 583486424 /nfs/dbraw/zinc/48/64/24/583486424.db2.gz SJOXPSCOGVIEMQ-HZMBPMFUSA-N 1 0 249.285 2.041 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)COC(C)=O ZINC000894605721 583491347 /nfs/dbraw/zinc/49/13/47/583491347.db2.gz BHKVZFGHVZQOJV-SNVBAGLBSA-N 1 0 213.321 2.130 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N)cc(C)[nH+]1 ZINC000894609658 583491860 /nfs/dbraw/zinc/49/18/60/583491860.db2.gz GNAZDYKMGJVHKF-PHIMTYICSA-N 1 0 230.315 2.055 20 30 BEEDRO Cc1cc(F)c(C#N)c(N2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000894592710 583492216 /nfs/dbraw/zinc/49/22/16/583492216.db2.gz GIPHBXIUDHBKCC-PHIMTYICSA-N 1 0 247.317 2.192 20 30 BEEDRO N#Cc1cc(CN2CC3(CC3)C2)cs1 ZINC000894664399 583501898 /nfs/dbraw/zinc/50/18/98/583501898.db2.gz UUHABESLHFTRFL-UHFFFAOYSA-N 1 0 204.298 2.216 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(OCCOC)o1 ZINC000894712132 583510601 /nfs/dbraw/zinc/51/06/01/583510601.db2.gz PGVQNHLENZFYKW-UHFFFAOYSA-N 1 0 239.315 2.361 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CF)C2)o1 ZINC000880238602 583511855 /nfs/dbraw/zinc/51/18/55/583511855.db2.gz ILEZCZZNULQIHW-SNVBAGLBSA-N 1 0 222.263 2.333 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894775177 583518313 /nfs/dbraw/zinc/51/83/13/583518313.db2.gz GSJVIDXASSNPQS-RYUDHWBXSA-N 1 0 243.322 2.176 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC=C(C)CC1 ZINC000894863752 583536267 /nfs/dbraw/zinc/53/62/67/583536267.db2.gz QODLMHSSWLPZFB-AWEZNQCLSA-N 1 0 220.360 2.030 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1COCO1 ZINC000894879207 583542669 /nfs/dbraw/zinc/54/26/69/583542669.db2.gz RMKQXGDIFURETQ-STQMWFEESA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1COCO1 ZINC000894879205 583542761 /nfs/dbraw/zinc/54/27/61/583542761.db2.gz RMKQXGDIFURETQ-QWHCGFSZSA-N 1 0 227.348 2.474 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894880108 583543812 /nfs/dbraw/zinc/54/38/12/583543812.db2.gz IGJVKOYICKRVQE-SRVKXCTJSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC(C)(C)CCCNc1cc[nH+]cc1CO ZINC000895064167 583577638 /nfs/dbraw/zinc/57/76/38/583577638.db2.gz BNJCWMCZGRLDEP-UHFFFAOYSA-N 1 0 234.343 2.400 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857856553 588913321 /nfs/dbraw/zinc/91/33/21/588913321.db2.gz AJKFXRAAIZHBRE-NSHDSACASA-N 1 0 237.372 2.296 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(C)co2)CC1 ZINC000895086935 583585011 /nfs/dbraw/zinc/58/50/11/583585011.db2.gz XWUOJCJESBFUMS-UHFFFAOYSA-N 1 0 203.285 2.433 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000895098103 583588339 /nfs/dbraw/zinc/58/83/39/583588339.db2.gz JNBCNJFJRKIMFG-ZDUSSCGKSA-N 1 0 235.371 2.463 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)CC#CC ZINC000895101052 583589140 /nfs/dbraw/zinc/58/91/40/583589140.db2.gz YYQXFTBAQVAMDF-UONOGXRCSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000895113586 583591745 /nfs/dbraw/zinc/59/17/45/583591745.db2.gz ASQVRNHZDOIFTC-UHFFFAOYSA-N 1 0 241.334 2.467 20 30 BEEDRO CC(C)CON=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000749636544 583595984 /nfs/dbraw/zinc/59/59/84/583595984.db2.gz PMETURKCUUOKLQ-JTQLQIEISA-N 1 0 210.321 2.272 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CC)C(=O)OC ZINC000895122131 583596086 /nfs/dbraw/zinc/59/60/86/583596086.db2.gz LWTRCYGQHQUYMD-SDDRHHMPSA-N 1 0 227.348 2.376 20 30 BEEDRO C[C@@H]1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)C1 ZINC000814885548 583596501 /nfs/dbraw/zinc/59/65/01/583596501.db2.gz CYZQJSZKEXORST-JLLWLGSASA-N 1 0 234.347 2.022 20 30 BEEDRO C[C@@H](COCC1CC1)[NH2+]CC#Cc1ccccc1 ZINC000895170735 583612117 /nfs/dbraw/zinc/61/21/17/583612117.db2.gz SCSKKFIUQSIMDK-AWEZNQCLSA-N 1 0 243.350 2.443 20 30 BEEDRO C=CCC1([NH2+][C@H]2COCC2(C)C)CCOCC1 ZINC000895258934 583634352 /nfs/dbraw/zinc/63/43/52/583634352.db2.gz IIHVDTKIBZTPMP-LBPRGKRZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]C(C)(C)C ZINC000895270102 583634781 /nfs/dbraw/zinc/63/47/81/583634781.db2.gz FFUYPGLIMHXBQP-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CC1=NO[C@@H](C[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000895299833 583642005 /nfs/dbraw/zinc/64/20/05/583642005.db2.gz GHBLBBMQVZALBJ-OTTFEQOBSA-N 1 0 235.331 2.213 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C)co1)C1CCOCC1 ZINC000895333116 583652234 /nfs/dbraw/zinc/65/22/34/583652234.db2.gz XSDNVQFHIYUNNB-AWEZNQCLSA-N 1 0 233.311 2.106 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000895330947 583653487 /nfs/dbraw/zinc/65/34/87/583653487.db2.gz SMGWRFWFXLVXOU-IUCAKERBSA-N 1 0 218.138 2.326 20 30 BEEDRO C=CCOCCC[NH2+]CC1CCC(OC)CC1 ZINC000895376965 583661498 /nfs/dbraw/zinc/66/14/98/583661498.db2.gz HVEGJNLMIQRZCK-UHFFFAOYSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H]1CCc2cccnc21 ZINC000895416438 583667322 /nfs/dbraw/zinc/66/73/22/583667322.db2.gz WGDBWBFMNDZILN-KBPBESRZSA-N 1 0 244.338 2.087 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000895433790 583671750 /nfs/dbraw/zinc/67/17/50/583671750.db2.gz MPUBIMFAXNRTGG-QDMKHBRRSA-N 1 0 211.308 2.426 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CSC2)C1 ZINC000895422204 583673761 /nfs/dbraw/zinc/67/37/61/583673761.db2.gz VMKUXMIMRYNCJY-KOLCDFICSA-N 1 0 210.346 2.021 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cs1 ZINC000895441886 583675493 /nfs/dbraw/zinc/67/54/93/583675493.db2.gz BECOPSBUXSZFLJ-NEPJUHHUSA-N 1 0 248.351 2.088 20 30 BEEDRO CN(Cc1ccns1)Cc1cccc(C#N)n1 ZINC000895452791 583677307 /nfs/dbraw/zinc/67/73/07/583677307.db2.gz XBYNVCRXBHSJTD-UHFFFAOYSA-N 1 0 244.323 2.042 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1cnc[nH]1 ZINC000895474169 583679872 /nfs/dbraw/zinc/67/98/72/583679872.db2.gz MWUTUORUNQSVMJ-UHFFFAOYSA-N 1 0 207.321 2.492 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000895490655 583680624 /nfs/dbraw/zinc/68/06/24/583680624.db2.gz RMNMXJGBPZETJI-GFCCVEGCSA-N 1 0 221.344 2.073 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895524116 583686362 /nfs/dbraw/zinc/68/63/62/583686362.db2.gz JSSJLPBTCHBLCL-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C[N@@H+]1CCN(Cc2cc(C#N)cs2)CC1(C)C ZINC000895565332 583693550 /nfs/dbraw/zinc/69/35/50/583693550.db2.gz YLGLCZTVYCABNN-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CC(C)(C)C#N ZINC000895672192 583707051 /nfs/dbraw/zinc/70/70/51/583707051.db2.gz ORALTENLYWOSQN-CHWSQXEVSA-N 1 0 236.359 2.333 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(Cl)c1C ZINC000883125360 583710946 /nfs/dbraw/zinc/71/09/46/583710946.db2.gz GNGURNOLPSKBDB-GFCCVEGCSA-N 1 0 237.730 2.122 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC=C(C)CC1 ZINC000895713061 583711120 /nfs/dbraw/zinc/71/11/20/583711120.db2.gz JAGHRLBHLWZNDH-OLZOCXBDSA-N 1 0 209.333 2.402 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000895713950 583711389 /nfs/dbraw/zinc/71/13/89/583711389.db2.gz XAJQTXZYENZSNC-JSGCOSHPSA-N 1 0 249.354 2.240 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCc2ncncc2C1 ZINC000895722517 583712324 /nfs/dbraw/zinc/71/23/24/583712324.db2.gz IOJJAHITWGDOMS-UHFFFAOYSA-N 1 0 244.342 2.165 20 30 BEEDRO CCCN[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000727651189 583714896 /nfs/dbraw/zinc/71/48/96/583714896.db2.gz MKCBVZQAHCNJRH-UHFFFAOYSA-N 1 0 223.295 2.225 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000895785644 583727329 /nfs/dbraw/zinc/72/73/29/583727329.db2.gz ZPSNJOZXUBRYER-FDRIWYBQSA-N 1 0 241.338 2.335 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(OC)OC ZINC000895792661 583728907 /nfs/dbraw/zinc/72/89/07/583728907.db2.gz XTRDQSNRHIPGMW-MNOVXSKESA-N 1 0 215.337 2.328 20 30 BEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]CCCO ZINC000883165026 583730401 /nfs/dbraw/zinc/73/04/01/583730401.db2.gz TXXBUKHRZIJERK-AWEZNQCLSA-N 1 0 249.354 2.372 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC000895835275 583736293 /nfs/dbraw/zinc/73/62/93/583736293.db2.gz CMFHBRKCZCHHNP-UHFFFAOYSA-N 1 0 247.338 2.295 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895848833 583736449 /nfs/dbraw/zinc/73/64/49/583736449.db2.gz URGVICIZLKAEQQ-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@@H](C)CCC#N)C1 ZINC000895926718 583748610 /nfs/dbraw/zinc/74/86/10/583748610.db2.gz JQWKASHJKFWNGO-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(OC)cn2)CC1 ZINC000895951829 583751739 /nfs/dbraw/zinc/75/17/39/583751739.db2.gz DBVXYWRDHPLWLQ-JOCQHMNTSA-N 1 0 244.338 2.372 20 30 BEEDRO C=CCOc1ccc(C[NH+]2CC(COC)C2)cc1 ZINC000895971992 583757104 /nfs/dbraw/zinc/75/71/04/583757104.db2.gz PUBVIUCRPSWNLQ-UHFFFAOYSA-N 1 0 247.338 2.330 20 30 BEEDRO C#CC1([NH2+]Cc2cnn(C)c2C2CC2)CCCC1 ZINC000896026047 583762931 /nfs/dbraw/zinc/76/29/31/583762931.db2.gz GHIARQSWLDAQEM-UHFFFAOYSA-N 1 0 243.354 2.333 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccccc1 ZINC000883401791 583798071 /nfs/dbraw/zinc/79/80/71/583798071.db2.gz YMDJAJXIXXFOBO-CYBMUJFWSA-N 1 0 205.301 2.103 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000883401775 583798356 /nfs/dbraw/zinc/79/83/56/583798356.db2.gz YAYMJFNKIZXAPU-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858086163 588930972 /nfs/dbraw/zinc/93/09/72/588930972.db2.gz CJLPXUZANWNUTP-UHFFFAOYSA-N 1 0 226.270 2.306 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000896598303 583816796 /nfs/dbraw/zinc/81/67/96/583816796.db2.gz HPIGEWIPOUQMPZ-WCQYABFASA-N 1 0 244.342 2.457 20 30 BEEDRO C=C(C[NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000148039465 583831246 /nfs/dbraw/zinc/83/12/46/583831246.db2.gz YURZSIIUSLMLGK-AWEZNQCLSA-N 1 0 217.312 2.060 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnc(F)c1 ZINC000858150253 588935579 /nfs/dbraw/zinc/93/55/79/588935579.db2.gz PBXNUIGIKKZHFF-UHFFFAOYSA-N 1 0 206.264 2.114 20 30 BEEDRO C=C1CCC(C[NH2+][C@H](C)COC(C)=O)CC1 ZINC000896838561 583838597 /nfs/dbraw/zinc/83/85/97/583838597.db2.gz NASULSOBIDNFQH-LLVKDONJSA-N 1 0 225.332 2.274 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@]1(C)CCCCO1 ZINC000896924042 583858827 /nfs/dbraw/zinc/85/88/27/583858827.db2.gz JQMMVDVDNCKXBD-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000897069464 583877286 /nfs/dbraw/zinc/87/72/86/583877286.db2.gz UUQNQHFMRSHXJH-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CC[N@H+](C)CCCc1cnccc1C ZINC000897167683 583887232 /nfs/dbraw/zinc/88/72/32/583887232.db2.gz OYQISTBCGMUKOZ-UHFFFAOYSA-N 1 0 216.328 2.278 20 30 BEEDRO C#CCN(Cc1ccnc(OC)c1F)C(C)C ZINC000897171298 583889266 /nfs/dbraw/zinc/88/92/66/583889266.db2.gz VGJHMFATTBILMB-UHFFFAOYSA-N 1 0 236.290 2.073 20 30 BEEDRO C#CC[N@H+](Cc1cnn(C)c1C1CC1)C(C)C ZINC000897170939 583889565 /nfs/dbraw/zinc/88/95/65/583889565.db2.gz LWWBINMRRVQUIS-UHFFFAOYSA-N 1 0 231.343 2.141 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315159 583918336 /nfs/dbraw/zinc/91/83/36/583918336.db2.gz IHZZJJYSAOZNHZ-SNVBAGLBSA-N 1 0 206.289 2.232 20 30 BEEDRO CCn1cnc2c1CC[N@H+](C[C@H](C)CCC#N)C2 ZINC000897334252 583924392 /nfs/dbraw/zinc/92/43/92/583924392.db2.gz QILJSQRGKRQJJM-GFCCVEGCSA-N 1 0 246.358 2.201 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@@H]1CCCC[C@@H]1C ZINC000203025425 583962283 /nfs/dbraw/zinc/96/22/83/583962283.db2.gz KNDALJCRRAVXMQ-QWRGUYRKSA-N 1 0 211.353 2.125 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cncc(F)c2)C1 ZINC000862445113 583962798 /nfs/dbraw/zinc/96/27/98/583962798.db2.gz MCYBXPWKRIXGDS-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(C)cn2)C1 ZINC000862445313 583963020 /nfs/dbraw/zinc/96/30/20/583963020.db2.gz QHLJLDUXFZQYAY-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000862442819 583963089 /nfs/dbraw/zinc/96/30/89/583963089.db2.gz ILCFPVVUXCVDOA-LBPRGKRZSA-N 1 0 244.294 2.440 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000858207334 588939057 /nfs/dbraw/zinc/93/90/57/588939057.db2.gz VCUVYSXVMQJUPT-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334904 588946585 /nfs/dbraw/zinc/94/65/85/588946585.db2.gz SVRMETIELKAGNH-ZZVYKPCYSA-N 1 0 221.344 2.049 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897528569 584006069 /nfs/dbraw/zinc/00/60/69/584006069.db2.gz LBTONJBBIQEGSD-OLZOCXBDSA-N 1 0 248.370 2.354 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C=C2CCCC2)CC1 ZINC000729979134 584032031 /nfs/dbraw/zinc/03/20/31/584032031.db2.gz ZYPUHMHBIAVWHM-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897685681 584039656 /nfs/dbraw/zinc/03/96/56/584039656.db2.gz PIWRXVMMSDBPGO-OCCSQVGLSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000897813692 584047048 /nfs/dbraw/zinc/04/70/48/584047048.db2.gz MFTOLMRBGBWVST-VVRFCBCGSA-N 1 0 233.355 2.497 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897810071 584050389 /nfs/dbraw/zinc/05/03/89/584050389.db2.gz NMNXGRAKMJKPDC-QKFSQAGISA-N 1 0 234.343 2.080 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819089 584051291 /nfs/dbraw/zinc/05/12/91/584051291.db2.gz OFCQKKSCQRPZLG-FQIARQCESA-N 1 0 207.317 2.107 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)o1 ZINC000897953983 584063904 /nfs/dbraw/zinc/06/39/04/584063904.db2.gz WGACBXDWIDFTBJ-ZWKOPEQDSA-N 1 0 216.284 2.429 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000898035553 584079172 /nfs/dbraw/zinc/07/91/72/584079172.db2.gz UXOUCSYCFSEAQC-UONOGXRCSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(CCO)cc1 ZINC000898170434 584088444 /nfs/dbraw/zinc/08/84/44/584088444.db2.gz GNRHOTHBCKYATK-CYBMUJFWSA-N 1 0 246.354 2.251 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@@H](O)C1CC1 ZINC000898198910 584098194 /nfs/dbraw/zinc/09/81/94/584098194.db2.gz WIZXHTUQLVYHAD-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cnccn1 ZINC000898245087 584100587 /nfs/dbraw/zinc/10/05/87/584100587.db2.gz VSFOESXXORKKJP-UHFFFAOYSA-N 1 0 205.305 2.265 20 30 BEEDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000898223704 584102034 /nfs/dbraw/zinc/10/20/34/584102034.db2.gz CNHRPSCCZAJWKF-BXUZGUMPSA-N 1 0 227.311 2.398 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898375941 584113425 /nfs/dbraw/zinc/11/34/25/584113425.db2.gz IPLBVHDXWSQJCY-HOTGVXAUSA-N 1 0 241.334 2.053 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000898379446 584113566 /nfs/dbraw/zinc/11/35/66/584113566.db2.gz GCSZORCJWYJEFZ-GQKFXUNGSA-N 1 0 248.370 2.473 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2COC[C@H]2C2CC2)CC1 ZINC000898381046 584115481 /nfs/dbraw/zinc/11/54/81/584115481.db2.gz XXEJSFBHPMIUQD-FFKWVLBGSA-N 1 0 234.343 2.083 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC23CCOCC3)C1 ZINC000866532007 584120275 /nfs/dbraw/zinc/12/02/75/584120275.db2.gz UJOPTNBZFPNDTD-RDBSUJKOSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000898459976 584137106 /nfs/dbraw/zinc/13/71/06/584137106.db2.gz AAYJJEPUELNWJI-UHFFFAOYSA-N 1 0 233.359 2.353 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccnn1CC1CC1 ZINC000898460099 584137147 /nfs/dbraw/zinc/13/71/47/584137147.db2.gz BYMSBBDMNNKXCC-UHFFFAOYSA-N 1 0 219.332 2.347 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000898458122 584137203 /nfs/dbraw/zinc/13/72/03/584137203.db2.gz WTKAVXXLZDZSHK-UHFFFAOYSA-N 1 0 235.283 2.175 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnn(C)c1Cl ZINC000898460020 584137462 /nfs/dbraw/zinc/13/74/62/584137462.db2.gz AVWLCSWHNLAJLE-UHFFFAOYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ncc(Cl)n1C ZINC000898460782 584137943 /nfs/dbraw/zinc/13/79/43/584137943.db2.gz SDBVMIAIBXKVKM-UHFFFAOYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=CC(C)(C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000898460545 584138224 /nfs/dbraw/zinc/13/82/24/584138224.db2.gz NOFATWRMDQVFJI-UHFFFAOYSA-N 1 0 242.363 2.455 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(F)ncc1F ZINC000898460629 584138237 /nfs/dbraw/zinc/13/82/37/584138237.db2.gz QFVGLKYGNZSVFZ-UHFFFAOYSA-N 1 0 212.243 2.414 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn(CC)nc1C ZINC000898461751 584138517 /nfs/dbraw/zinc/13/85/17/584138517.db2.gz JVGNTAVJKARPFI-UHFFFAOYSA-N 1 0 207.321 2.266 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000858495276 588960419 /nfs/dbraw/zinc/96/04/19/588960419.db2.gz ZJYSBSBADICGEN-AVGNSLFASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000858495277 588960736 /nfs/dbraw/zinc/96/07/36/588960736.db2.gz ZJYSBSBADICGEN-JHJVBQTASA-N 1 0 238.375 2.365 20 30 BEEDRO C=C1CCC(C(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000898670580 584148326 /nfs/dbraw/zinc/14/83/26/584148326.db2.gz YISUKRGDIXQUGJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])N[C@H](C)C2CC2)c1 ZINC000899272672 584191898 /nfs/dbraw/zinc/19/18/98/584191898.db2.gz MERGGFWIAPOHAF-LLVKDONJSA-N 1 0 241.338 2.080 20 30 BEEDRO N#CC1(CCCCn2ccnc2C[NH3+])CCC1 ZINC000899632857 584221412 /nfs/dbraw/zinc/22/14/12/584221412.db2.gz ILXWGTAERYJHJC-UHFFFAOYSA-N 1 0 232.331 2.206 20 30 BEEDRO C=CCCC1(C[NH2+]CC[N+](=O)[O-])CCCC1 ZINC000899890676 584245952 /nfs/dbraw/zinc/24/59/52/584245952.db2.gz GSKZPMIBFGLSSR-UHFFFAOYSA-N 1 0 226.320 2.379 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000899891857 584248893 /nfs/dbraw/zinc/24/88/93/584248893.db2.gz SYQAXUWOIQPNNM-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)c1ccccc1 ZINC000899904746 584251301 /nfs/dbraw/zinc/25/13/01/584251301.db2.gz QPWVAZKMCUEFNT-CYBMUJFWSA-N 1 0 246.354 2.372 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H]2C2CCCC2)CC1 ZINC000899912655 584253448 /nfs/dbraw/zinc/25/34/48/584253448.db2.gz MZECBOQOUIBLTG-KGLIPLIRSA-N 1 0 248.370 2.306 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000900005002 584263766 /nfs/dbraw/zinc/26/37/66/584263766.db2.gz VXJCQILPJJZABU-VHSXEESVSA-N 1 0 223.320 2.147 20 30 BEEDRO C=C[C@@H](CC)Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009009 584264595 /nfs/dbraw/zinc/26/45/95/584264595.db2.gz SIAVSFSXGZTKBN-VIFPVBQESA-N 1 0 221.304 2.162 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CCC(C)C ZINC000900077369 584270593 /nfs/dbraw/zinc/27/05/93/584270593.db2.gz ZKVACZDYYWJAAU-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CCCC)C1CC1 ZINC000900131059 584280620 /nfs/dbraw/zinc/28/06/20/584280620.db2.gz YWXXBSIMVGKBEH-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000900864828 584358891 /nfs/dbraw/zinc/35/88/91/584358891.db2.gz RUWXYEWJWTVNOA-WCQYABFASA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)C[C@H]1CC ZINC000900910146 584364954 /nfs/dbraw/zinc/36/49/54/584364954.db2.gz ZAEBPOZWKFDMEN-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(O)c(C)c1 ZINC000901163057 584394171 /nfs/dbraw/zinc/39/41/71/584394171.db2.gz RUYGSVSIYFONJK-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO CCNN=C(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901280972 584414899 /nfs/dbraw/zinc/41/48/99/584414899.db2.gz HLBZQPJHYSNSAS-HNNXBMFYSA-N 1 0 245.370 2.494 20 30 BEEDRO CCN[NH+]=Cc1ccc(N(C)C)cc1C ZINC000901282979 584415591 /nfs/dbraw/zinc/41/55/91/584415591.db2.gz URKQRGGXCPHHBK-UHFFFAOYSA-N 1 0 205.305 2.004 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCC1CC=CC1 ZINC000901585035 584467821 /nfs/dbraw/zinc/46/78/21/584467821.db2.gz CZWCQDQPQHFRLW-CYBMUJFWSA-N 1 0 217.316 2.376 20 30 BEEDRO C=C(Cl)CN[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902348759 584559777 /nfs/dbraw/zinc/55/97/77/584559777.db2.gz WJDQEWPGFSMTBF-JTQLQIEISA-N 1 0 216.756 2.107 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C)ccc1NC ZINC000902457912 584610459 /nfs/dbraw/zinc/61/04/59/584610459.db2.gz VJCWKMFBSARXRD-CYBMUJFWSA-N 1 0 248.370 2.311 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902490286 584627948 /nfs/dbraw/zinc/62/79/48/584627948.db2.gz MGZUEJCWFNSTGJ-BDAKNGLRSA-N 1 0 225.361 2.416 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)ccc1NC ZINC000902586367 584639872 /nfs/dbraw/zinc/63/98/72/584639872.db2.gz XDKITROTUTWGHZ-CQSZACIVSA-N 1 0 248.370 2.453 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1NC ZINC000902603803 584642038 /nfs/dbraw/zinc/64/20/38/584642038.db2.gz GFMWPIHUCSVOQJ-ZFWWWQNUSA-N 1 0 246.354 2.409 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccccc1NC ZINC000902626402 584645822 /nfs/dbraw/zinc/64/58/22/584645822.db2.gz ASUHBLOCJFEFGT-AWEZNQCLSA-N 1 0 246.354 2.246 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(CC)cn2)CC1 ZINC000902640689 584649938 /nfs/dbraw/zinc/64/99/38/584649938.db2.gz IZGDNEPYQHXRJX-JOCQHMNTSA-N 1 0 231.343 2.185 20 30 BEEDRO CCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720897 584659770 /nfs/dbraw/zinc/65/97/70/584659770.db2.gz PFWBKXJDZVVVBF-JTQLQIEISA-N 1 0 203.289 2.404 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)O)[C@@]1(C)CCCCO1 ZINC000902721000 584659952 /nfs/dbraw/zinc/65/99/52/584659952.db2.gz QNBLOCOUSIJODX-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)O)[C@@]1(C)CCCCO1 ZINC000902721004 584660039 /nfs/dbraw/zinc/66/00/39/584660039.db2.gz QNBLOCOUSIJODX-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@H]([NH2+]CC1CC1)c1cc(C#N)ccn1 ZINC000902737043 584662732 /nfs/dbraw/zinc/66/27/32/584662732.db2.gz OMBBSOPSZLRKOC-VIFPVBQESA-N 1 0 201.273 2.014 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCCOC1)c1cc(C#N)ccn1 ZINC000902759043 584665624 /nfs/dbraw/zinc/66/56/24/584665624.db2.gz ODDNHANHIKXEKL-AAEUAGOBSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@@H]([NH2+]CC1CCOCC1)c1cc(C#N)ccn1 ZINC000902784689 584666221 /nfs/dbraw/zinc/66/62/21/584666221.db2.gz XKXLECYMOCBVES-LLVKDONJSA-N 1 0 245.326 2.030 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902761810 584666287 /nfs/dbraw/zinc/66/62/87/584666287.db2.gz AEVDJTJKAIWMCU-WCQYABFASA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@H]([NH2+]CC1CCOCC1)c1cc(C#N)ccn1 ZINC000902784690 584666354 /nfs/dbraw/zinc/66/63/54/584666354.db2.gz XKXLECYMOCBVES-NSHDSACASA-N 1 0 245.326 2.030 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902778896 584669483 /nfs/dbraw/zinc/66/94/83/584669483.db2.gz HUVDRQIMGMINJM-YPMHNXCESA-N 1 0 247.342 2.011 20 30 BEEDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902786620 584672163 /nfs/dbraw/zinc/67/21/63/584672163.db2.gz QOIULRIMBBHSBV-QWRGUYRKSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000801935902 584675549 /nfs/dbraw/zinc/67/55/49/584675549.db2.gz MZLWXULUYSWKQQ-NEPJUHHUSA-N 1 0 233.315 2.003 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CO)CC1)c1cccc(C#N)c1 ZINC000902829513 584677283 /nfs/dbraw/zinc/67/72/83/584677283.db2.gz AZTRJNXBROOWGF-CQSZACIVSA-N 1 0 244.338 2.371 20 30 BEEDRO CSCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902809676 584677522 /nfs/dbraw/zinc/67/75/22/584677522.db2.gz WLWQFVXNKDMDRX-JTQLQIEISA-N 1 0 235.356 2.357 20 30 BEEDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902812377 584677874 /nfs/dbraw/zinc/67/78/74/584677874.db2.gz SEZXYZYANDAEDG-CMPLNLGQSA-N 1 0 233.315 2.029 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1 ZINC000902812499 584677925 /nfs/dbraw/zinc/67/79/25/584677925.db2.gz UIHRHVKLVZCIAZ-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(C#N)ccn1 ZINC000902839448 584679901 /nfs/dbraw/zinc/67/99/01/584679901.db2.gz REKKZQRXIKOPQG-SMDDNHRTSA-N 1 0 245.326 2.173 20 30 BEEDRO C[C@H]([NH2+]C[C@]1(C)CCCO1)c1cc(C#N)ccn1 ZINC000902839446 584679905 /nfs/dbraw/zinc/67/99/05/584679905.db2.gz REKKZQRXIKOPQG-FZMZJTMJSA-N 1 0 245.326 2.173 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902879171 584687562 /nfs/dbraw/zinc/68/75/62/584687562.db2.gz RUCBRJKPMFOYTA-LBPRGKRZSA-N 1 0 227.311 2.407 20 30 BEEDRO CS[C@H](C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902886722 584688854 /nfs/dbraw/zinc/68/88/54/584688854.db2.gz TXQLKSPHSARBGN-NXEZZACHSA-N 1 0 235.356 2.355 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000902886313 584688959 /nfs/dbraw/zinc/68/89/59/584688959.db2.gz MOEUEDQRLJNBKK-KGLIPLIRSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@@H]([NH2+]CCC[C@H](C)CO)c1cc(C#N)ccn1 ZINC000902889347 584689471 /nfs/dbraw/zinc/68/94/71/584689471.db2.gz HXSKRNODTOFJLP-NWDGAFQWSA-N 1 0 247.342 2.012 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902891920 584690285 /nfs/dbraw/zinc/69/02/85/584690285.db2.gz FBEICTCXHHGFDC-MDZLAQPJSA-N 1 0 245.326 2.171 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902895128 584690826 /nfs/dbraw/zinc/69/08/26/584690826.db2.gz USDJMLHYNUUCIF-FQUUOJAGSA-N 1 0 223.360 2.339 20 30 BEEDRO COC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CCC1 ZINC000902944183 584696115 /nfs/dbraw/zinc/69/61/15/584696115.db2.gz CXDFWSWEMNWOHD-NSHDSACASA-N 1 0 245.326 2.173 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000801938645 584700388 /nfs/dbraw/zinc/70/03/88/584700388.db2.gz KIVLQMTUSRHRDO-BXUZGUMPSA-N 1 0 245.326 2.051 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000801938648 584703434 /nfs/dbraw/zinc/70/34/34/584703434.db2.gz KIVLQMTUSRHRDO-SMDDNHRTSA-N 1 0 245.326 2.051 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000902950774 584704133 /nfs/dbraw/zinc/70/41/33/584704133.db2.gz KZPVEYCCVBHFHL-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@@H]1CCCO1 ZINC000902958787 584705976 /nfs/dbraw/zinc/70/59/76/584705976.db2.gz UBAGJSIJZOZLFK-AICCOOGYSA-N 1 0 233.355 2.336 20 30 BEEDRO CC[C@@H]([NH2+]CCCCO)c1cccc(C#N)c1 ZINC000902975895 584707428 /nfs/dbraw/zinc/70/74/28/584707428.db2.gz KGZCJGCHEBMPNA-CQSZACIVSA-N 1 0 232.327 2.371 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902995297 584710129 /nfs/dbraw/zinc/71/01/29/584710129.db2.gz AZIMXVLTKODGKC-VWYCJHECSA-N 1 0 233.315 2.027 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903017534 584713425 /nfs/dbraw/zinc/71/34/25/584713425.db2.gz OXYICSBEIPLQBD-SUHUHFCYSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cc(C#N)ccn1 ZINC000903006870 584717112 /nfs/dbraw/zinc/71/71/12/584717112.db2.gz PEQVHDXNINRBRF-MFKMUULPSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(C#N)ccn1 ZINC000903020069 584718014 /nfs/dbraw/zinc/71/80/14/584718014.db2.gz VFMVGSXSBNQWEE-JFGNBEQYSA-N 1 0 247.367 2.498 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(C#N)ccn1 ZINC000903025695 584721446 /nfs/dbraw/zinc/72/14/46/584721446.db2.gz HHNYGPCNRKYAGQ-JOYOIKCWSA-N 1 0 213.284 2.156 20 30 BEEDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cc(C#N)ccn1 ZINC000903029854 584721782 /nfs/dbraw/zinc/72/17/82/584721782.db2.gz NJNREPLBXWYKPX-SYEHKZFSSA-N 1 0 227.311 2.402 20 30 BEEDRO CC[C@@H](O)C[NH2+][C@@H](CC)c1cccc(C#N)c1 ZINC000903051326 584724148 /nfs/dbraw/zinc/72/41/48/584724148.db2.gz IVURBZNBGCQHMW-KGLIPLIRSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903317031 584750329 /nfs/dbraw/zinc/75/03/29/584750329.db2.gz IFTADSJHYYGTDL-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000903101525 584727497 /nfs/dbraw/zinc/72/74/97/584727497.db2.gz HZFFZGUJALVLNA-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO COC1([C@@H](C)[NH2+]CC2(C#N)CC2)CCCC1 ZINC000903105885 584727920 /nfs/dbraw/zinc/72/79/20/584727920.db2.gz IIOWYEIRJSRBMB-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903094655 584729061 /nfs/dbraw/zinc/72/90/61/584729061.db2.gz OYLFNJWWTVZTNT-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903185283 584733666 /nfs/dbraw/zinc/73/36/66/584733666.db2.gz CTVXDXVTPKVZGQ-ITGHMWBKSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C1CC(CC(N)=O)C1 ZINC000903261835 584740790 /nfs/dbraw/zinc/74/07/90/584740790.db2.gz ZJMOCCMFBUDCRJ-CPCZMJQVSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN2C)C1 ZINC000903315840 584749017 /nfs/dbraw/zinc/74/90/17/584749017.db2.gz KJBPWMRFLFHREZ-AGIUHOORSA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)CN1CCOCC1 ZINC000903344095 584752521 /nfs/dbraw/zinc/75/25/21/584752521.db2.gz UJFNEUKGGNZGIE-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2COC[C@H]2C)C1 ZINC000903392945 584755971 /nfs/dbraw/zinc/75/59/71/584755971.db2.gz BYONCAGDTFANOD-NDBYEHHHSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2COC[C@@H]2C)C1 ZINC000903392946 584756325 /nfs/dbraw/zinc/75/63/25/584756325.db2.gz BYONCAGDTFANOD-QNWHQSFQSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(C#N)cc1 ZINC000903406567 584758837 /nfs/dbraw/zinc/75/88/37/584758837.db2.gz JOHGGRUNXYMPFU-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccc(C#N)cc1 ZINC000903406569 584758865 /nfs/dbraw/zinc/75/88/65/584758865.db2.gz JOHGGRUNXYMPFU-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@](CN)([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000903426808 584760977 /nfs/dbraw/zinc/76/09/77/584760977.db2.gz OKMUTAYIUJOIHO-YIZWMMSDSA-N 1 0 235.375 2.033 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903424747 584764922 /nfs/dbraw/zinc/76/49/22/584764922.db2.gz DRTYBGPMTULKIJ-URGYJCLVSA-N 1 0 249.402 2.376 20 30 BEEDRO N#Cc1cc(Cl)cc(CNCC2([NH3+])CCC2)c1 ZINC000903447105 584770574 /nfs/dbraw/zinc/77/05/74/584770574.db2.gz FGUMWYNJVJKDGU-UHFFFAOYSA-N 1 0 249.745 2.183 20 30 BEEDRO CCN(CC1CCC(C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000903481871 584778102 /nfs/dbraw/zinc/77/81/02/584778102.db2.gz PBNWUPCXCFXJAZ-JXQTWKCFSA-N 1 0 235.375 2.000 20 30 BEEDRO N#CC1(CCCCN2CCC[NH2+]CC2)CCC1 ZINC000903713703 584793693 /nfs/dbraw/zinc/79/36/93/584793693.db2.gz ZVHGYTQDLYYUQS-UHFFFAOYSA-N 1 0 235.375 2.146 20 30 BEEDRO C=CCCCN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903800115 584801300 /nfs/dbraw/zinc/80/13/00/584801300.db2.gz UJCXPYFWUOEZOJ-STQMWFEESA-N 1 0 208.349 2.156 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C)c(C#N)c1 ZINC000859156209 589010792 /nfs/dbraw/zinc/01/07/92/589010792.db2.gz NTFJCNMMZPAKGU-UHFFFAOYSA-N 1 0 212.296 2.322 20 30 BEEDRO N#CC1(CNC[C@@H]([NH3+])CC(F)F)CCCCC1 ZINC000903932775 584824733 /nfs/dbraw/zinc/82/47/33/584824733.db2.gz GULSPWCZGKFWSC-JTQLQIEISA-N 1 0 245.317 2.033 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@H]2CC[N@@H+](C)C2)n1 ZINC000904079111 584840087 /nfs/dbraw/zinc/84/00/87/584840087.db2.gz CCGDHSNKVXDGBM-LLVKDONJSA-N 1 0 249.358 2.418 20 30 BEEDRO CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H](C#N)C1 ZINC000904388144 584877740 /nfs/dbraw/zinc/87/77/40/584877740.db2.gz DYCLYHLQOIMRAF-STQMWFEESA-N 1 0 237.391 2.376 20 30 BEEDRO C#CCCCCCC[N@@H+](CCO)C(C)C ZINC000876538612 584886087 /nfs/dbraw/zinc/88/60/87/584886087.db2.gz LAXSCQSYPZDWBL-UHFFFAOYSA-N 1 0 211.349 2.273 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(C)C)C1CCOCC1 ZINC000827559857 584899459 /nfs/dbraw/zinc/89/94/59/584899459.db2.gz KDWQHPLZWLWPOW-CQSZACIVSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000753761639 584906004 /nfs/dbraw/zinc/90/60/04/584906004.db2.gz OGUOZFLDMSAFBA-JTQLQIEISA-N 1 0 239.265 2.265 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761080520 584908989 /nfs/dbraw/zinc/90/89/89/584908989.db2.gz WQYZHKBGPCCHRP-STQMWFEESA-N 1 0 243.354 2.255 20 30 BEEDRO C[C@@H]1CCCCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753935737 584911207 /nfs/dbraw/zinc/91/12/07/584911207.db2.gz PISSLFQFHVECGB-RTXFEEFZSA-N 1 0 248.374 2.413 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCCC[C@@H]1C ZINC000834971461 584915952 /nfs/dbraw/zinc/91/59/52/584915952.db2.gz WUKATWWWZRJHKV-NHCYSSNCSA-N 1 0 236.363 2.126 20 30 BEEDRO C=C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000731032576 584921573 /nfs/dbraw/zinc/92/15/73/584921573.db2.gz LQDABKCWJMCZNX-AWEZNQCLSA-N 1 0 217.312 2.372 20 30 BEEDRO c1nncn1[NH+]=C1CCC[C@H]1c1ccccc1 ZINC000732527143 584938228 /nfs/dbraw/zinc/93/82/28/584938228.db2.gz JSZFHYFEAPHFTL-LBPRGKRZSA-N 1 0 226.283 2.450 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)OC)C(C)C ZINC000733161595 584943840 /nfs/dbraw/zinc/94/38/40/584943840.db2.gz NDDOFPKGTIEYDR-LBPRGKRZSA-N 1 0 240.347 2.041 20 30 BEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)OC)C(C)C ZINC000733161593 584943870 /nfs/dbraw/zinc/94/38/70/584943870.db2.gz NDDOFPKGTIEYDR-GFCCVEGCSA-N 1 0 240.347 2.041 20 30 BEEDRO C=CC(C)(C)CC(=O)NC(C)(C)CCC[NH3+] ZINC000884293318 584948649 /nfs/dbraw/zinc/94/86/49/584948649.db2.gz ACBXOFVYKCUXNJ-UHFFFAOYSA-N 1 0 226.364 2.222 20 30 BEEDRO CC(=[NH+]NC[C@@H](C)C#N)c1c(C)cc(N)cc1C ZINC000884441698 584953576 /nfs/dbraw/zinc/95/35/76/584953576.db2.gz NNKNSELFADVGEB-VIFPVBQESA-N 1 0 244.342 2.359 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000734161734 584959259 /nfs/dbraw/zinc/95/92/59/584959259.db2.gz XZTNWNNKQOOMIL-HNNXBMFYSA-N 1 0 247.338 2.112 20 30 BEEDRO CCOCCC[N@@H+]1CCC(=NOCC)[C@H](C)C1 ZINC000735226815 584974124 /nfs/dbraw/zinc/97/41/24/584974124.db2.gz BIOGDEDOWLOEDF-GFCCVEGCSA-N 1 0 242.363 2.147 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588712 584974638 /nfs/dbraw/zinc/97/46/38/584974638.db2.gz WXMIVIDQSLAOPY-IUCAKERBSA-N 1 0 235.287 2.402 20 30 BEEDRO CC[C@@H](C)CO[NH+]=Cc1ccncc1N ZINC000819812836 585007901 /nfs/dbraw/zinc/00/79/01/585007901.db2.gz ICULKIHQOBUUTO-SECBINFHSA-N 1 0 207.277 2.060 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886005450 585034268 /nfs/dbraw/zinc/03/42/68/585034268.db2.gz BDGCQLBIHNPZLW-AWEZNQCLSA-N 1 0 248.370 2.329 20 30 BEEDRO C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)C[C@H]1C ZINC000886027361 585036172 /nfs/dbraw/zinc/03/61/72/585036172.db2.gz DTGNUKNYCJZCOW-FRRDWIJNSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@@H]1C[NH+](C[C@H](O)CC2(C#N)CCC2)C[C@H]1C ZINC000886027365 585036306 /nfs/dbraw/zinc/03/63/06/585036306.db2.gz DTGNUKNYCJZCOW-JHJVBQTASA-N 1 0 236.359 2.019 20 30 BEEDRO N#CCC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000838914185 585077757 /nfs/dbraw/zinc/07/77/57/585077757.db2.gz BYJYLAPUFOFOIJ-LSDHHAIUSA-N 1 0 244.338 2.392 20 30 BEEDRO C#CC[N@H+](CCOCC1CCCC1)C1CC1 ZINC000838931263 585081296 /nfs/dbraw/zinc/08/12/96/585081296.db2.gz AIEAGWXRONXVEK-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCSCC[NH2+]C1CC2(CCC2)C1 ZINC000838961270 585082282 /nfs/dbraw/zinc/08/22/82/585082282.db2.gz YYMOVWLVUTXZFQ-UHFFFAOYSA-N 1 0 209.358 2.275 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC(C)(COC)C2)cc1 ZINC000839142831 585094836 /nfs/dbraw/zinc/09/48/36/585094836.db2.gz CVOPRTCPETYCPZ-UHFFFAOYSA-N 1 0 229.323 2.136 20 30 BEEDRO C=CC[N@H+](CC1CCCCC1)[C@@H]1CCOC1=O ZINC000839489628 585105370 /nfs/dbraw/zinc/10/53/70/585105370.db2.gz OTWRZCILLINCKO-CYBMUJFWSA-N 1 0 237.343 2.370 20 30 BEEDRO CCN(CCC(=O)C(C)(C)C)C[C@@H](C)C#N ZINC000741157507 585110689 /nfs/dbraw/zinc/11/06/89/585110689.db2.gz WAWRTUYFWBDKHH-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]1CC(=NNCc2ccccc2)CC[N@@H+]1C ZINC000741456585 585114115 /nfs/dbraw/zinc/11/41/15/585114115.db2.gz PYYXRRMMKSIRRK-LBPRGKRZSA-N 1 0 231.343 2.246 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000886365396 585134795 /nfs/dbraw/zinc/13/47/95/585134795.db2.gz HIXUHXZAJYZIHU-INIZCTEOSA-N 1 0 238.334 2.446 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886667484 585172488 /nfs/dbraw/zinc/17/24/88/585172488.db2.gz BJOCQHZPLQUYGT-IGQOVBAYSA-N 1 0 241.375 2.107 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCC23CCCC3)C1 ZINC000886663342 585172600 /nfs/dbraw/zinc/17/26/00/585172600.db2.gz YQWVHCVRYUENAG-HUUCEWRRSA-N 1 0 246.398 2.396 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886667485 585172608 /nfs/dbraw/zinc/17/26/08/585172608.db2.gz BJOCQHZPLQUYGT-XDQVBPFNSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886680267 585172718 /nfs/dbraw/zinc/17/27/18/585172718.db2.gz AABIVXUQLNNGRK-LBPRGKRZSA-N 1 0 217.316 2.232 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000886819772 585180012 /nfs/dbraw/zinc/18/00/12/585180012.db2.gz WYVUYBVJQXHMMF-STQMWFEESA-N 1 0 234.343 2.181 20 30 BEEDRO CCC(N)=[NH+]OCc1cn2ccccc2c1C#N ZINC000747823610 585184713 /nfs/dbraw/zinc/18/47/13/585184713.db2.gz DVBFZHUMZIVTLE-UHFFFAOYSA-N 1 0 242.282 2.219 20 30 BEEDRO CCCN[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000748032564 585186848 /nfs/dbraw/zinc/18/68/48/585186848.db2.gz AITNDYNYIXDSJY-UHFFFAOYSA-N 1 0 231.343 2.403 20 30 BEEDRO CCc1cc(C[NH2+]Cc2cc(C#N)cs2)[nH]n1 ZINC000748099140 585186910 /nfs/dbraw/zinc/18/69/10/585186910.db2.gz FXOGJTDHPNJVHK-UHFFFAOYSA-N 1 0 246.339 2.195 20 30 BEEDRO C=CCCCC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000748541998 585193638 /nfs/dbraw/zinc/19/36/38/585193638.db2.gz NVGAVRWMNSCZTM-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(C#N)s1 ZINC000749110914 585199469 /nfs/dbraw/zinc/19/94/69/585199469.db2.gz TZTCFSGDMAJIRM-LLVKDONJSA-N 1 0 249.383 2.194 20 30 BEEDRO C[C@H](C=[NH+]n1cnnc1)CCc1ccccc1 ZINC000749158710 585200206 /nfs/dbraw/zinc/20/02/06/585200206.db2.gz SAKBYIGVXPMFKS-LBPRGKRZSA-N 1 0 228.299 2.381 20 30 BEEDRO CC(C)CON=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000749636019 585204700 /nfs/dbraw/zinc/20/47/00/585204700.db2.gz CWIAYTDPRFEBIL-JTQLQIEISA-N 1 0 210.321 2.129 20 30 BEEDRO COc1ccc(N=NC2C[N@H+](C)C[C@H]2C)cc1 ZINC000750946026 585222984 /nfs/dbraw/zinc/22/29/84/585222984.db2.gz MHJOKWHDTHBLHE-SNVBAGLBSA-N 1 0 233.315 2.045 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](O)CC#N ZINC000809578645 585224049 /nfs/dbraw/zinc/22/40/49/585224049.db2.gz PAISTVICMZQUCL-SGMGOOAPSA-N 1 0 232.327 2.043 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(F)cc1F ZINC000752158027 585242753 /nfs/dbraw/zinc/24/27/53/585242753.db2.gz SKFMUFIFWMMSMH-QMMMGPOBSA-N 1 0 239.269 2.314 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1=NOCc1ccccc1 ZINC000752161357 585243177 /nfs/dbraw/zinc/24/31/77/585243177.db2.gz RSJCYEJUYZSCIG-LLVKDONJSA-N 1 0 218.300 2.141 20 30 BEEDRO CC[C@@H](C)N[NH+]=Cc1ccc2c(c1)CCN2C ZINC000790182080 585258034 /nfs/dbraw/zinc/25/80/34/585258034.db2.gz ILAKWFSQHDLUOL-LLVKDONJSA-N 1 0 231.343 2.401 20 30 BEEDRO CC(=CN=NC(N)=[NH2+])Cc1ccc(Cl)cc1 ZINC000753695986 585266260 /nfs/dbraw/zinc/26/62/60/585266260.db2.gz FETLPVBADHCTRF-LZOFCAKCSA-N 1 0 236.706 2.212 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[Si](C)(C)C)C1CC1 ZINC000754372751 585283513 /nfs/dbraw/zinc/28/35/13/585283513.db2.gz PXCKDYNVPJCYLJ-SNVBAGLBSA-N 1 0 210.397 2.488 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)nc1)C(C)C ZINC000754640323 585288452 /nfs/dbraw/zinc/28/84/52/585288452.db2.gz MWYKGDGKIHXRQR-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO Cc1[nH]cnc1C=NN[C@H](C)c1ccccc1 ZINC000755665277 585303643 /nfs/dbraw/zinc/30/36/43/585303643.db2.gz UJNAKFMURKJMMY-SNVBAGLBSA-N 1 0 228.299 2.403 20 30 BEEDRO CCn1ccnc1CN=Nc1cc(C)ccn1 ZINC000755770016 585306742 /nfs/dbraw/zinc/30/67/42/585306742.db2.gz IXEDGEFBOGYSKJ-UHFFFAOYSA-N 1 0 229.287 2.052 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000839552137 585329833 /nfs/dbraw/zinc/32/98/33/585329833.db2.gz OXKHCIDBSQEROU-ZJUUUORDSA-N 1 0 203.713 2.286 20 30 BEEDRO C=C(Cl)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000839549868 585330208 /nfs/dbraw/zinc/33/02/08/585330208.db2.gz DBBUQGHQHJQVPV-MNOVXSKESA-N 1 0 215.724 2.286 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000839558174 585331055 /nfs/dbraw/zinc/33/10/55/585331055.db2.gz RAJDTNFSAQHTBE-WCQYABFASA-N 1 0 239.746 2.493 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000839615376 585332253 /nfs/dbraw/zinc/33/22/53/585332253.db2.gz UERTVZMVLPFBJT-NEPJUHHUSA-N 1 0 229.751 2.126 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCC[C@H]1C(=O)OC ZINC000839613740 585332357 /nfs/dbraw/zinc/33/23/57/585332357.db2.gz JRUIXIBUHBBIBJ-ZJUUUORDSA-N 1 0 231.723 2.060 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000839636755 585332579 /nfs/dbraw/zinc/33/25/79/585332579.db2.gz UJKLFVNNTZMYAT-CYBMUJFWSA-N 1 0 240.391 2.367 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000839658758 585333961 /nfs/dbraw/zinc/33/39/61/585333961.db2.gz SKONJKUWGCLAAH-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000839670864 585336174 /nfs/dbraw/zinc/33/61/74/585336174.db2.gz IQLQLXORLSUUNQ-CHWSQXEVSA-N 1 0 229.364 2.038 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839678961 585337172 /nfs/dbraw/zinc/33/71/72/585337172.db2.gz BHPMEONNYQHOTN-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000757906672 585346560 /nfs/dbraw/zinc/34/65/60/585346560.db2.gz NRUNKOQJDQNNIV-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO Cc1ccnc(N=NC2CCC[N@@H+](C)CC2)c1 ZINC000758117820 585349394 /nfs/dbraw/zinc/34/93/94/585349394.db2.gz NWZMGAJQBPISRO-UHFFFAOYSA-N 1 0 232.331 2.274 20 30 BEEDRO C[C@H]1CC(=NOCc2ccc(F)cc2)C[N@@H+]1C ZINC000758145190 585350778 /nfs/dbraw/zinc/35/07/78/585350778.db2.gz VHDGTCLXZHMLHG-JTQLQIEISA-N 1 0 236.290 2.422 20 30 BEEDRO C[C@H]([N@H+](C)Cn1cccc(C#N)c1=O)C(C)(C)C ZINC000758188085 585351406 /nfs/dbraw/zinc/35/14/06/585351406.db2.gz YFPQAXGIOOKAJM-NSHDSACASA-N 1 0 247.342 2.044 20 30 BEEDRO CCSc1ccccc1C(C)=NNC(N)=[NH2+] ZINC000759646291 585377785 /nfs/dbraw/zinc/37/77/85/585377785.db2.gz HMXATXOEVHTBOU-UHFFFAOYSA-N 1 0 236.344 2.006 20 30 BEEDRO Cc1cc(C)c(C=NNCC[NH+]2CCCCC2)[nH]1 ZINC000760244312 585387373 /nfs/dbraw/zinc/38/73/73/585387373.db2.gz UQJPJHVHEFVSPV-UHFFFAOYSA-N 1 0 248.374 2.041 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](CC)CCc1ccccn1 ZINC000760820073 585397737 /nfs/dbraw/zinc/39/77/37/585397737.db2.gz ZORFQZOJYJHUAK-HNNXBMFYSA-N 1 0 248.370 2.273 20 30 BEEDRO C#CCC[NH+]1CCC(OCC(C)C)CC1 ZINC000760817024 585397855 /nfs/dbraw/zinc/39/78/55/585397855.db2.gz BALGHVCCJQDEGJ-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCC[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC000760826188 585398519 /nfs/dbraw/zinc/39/85/19/585398519.db2.gz AKVFQCBCVXJAKA-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000760846063 585398857 /nfs/dbraw/zinc/39/88/57/585398857.db2.gz ZLBRNGBULMBNLC-SNVBAGLBSA-N 1 0 235.249 2.053 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CCC#N)CC(C)C ZINC000760857629 585399888 /nfs/dbraw/zinc/39/98/88/585399888.db2.gz ZBWMLCHUYQWMBD-CYBMUJFWSA-N 1 0 224.348 2.185 20 30 BEEDRO C#CCC[NH+]1CCC(c2ccccn2)CC1 ZINC000760886516 585400817 /nfs/dbraw/zinc/40/08/17/585400817.db2.gz MSBSBOKLOYXMQW-UHFFFAOYSA-N 1 0 214.312 2.284 20 30 BEEDRO C#CCC[NH+]1CCN(c2ccc(C)c(C)c2)CC1 ZINC000760884135 585400925 /nfs/dbraw/zinc/40/09/25/585400925.db2.gz CFMSXDQAAQENSC-UHFFFAOYSA-N 1 0 242.366 2.449 20 30 BEEDRO CCCCCCC[NH+]1CCN(CCC#N)CC1 ZINC000760943985 585402298 /nfs/dbraw/zinc/40/22/98/585402298.db2.gz OTAGVMPEYKDTEU-UHFFFAOYSA-N 1 0 237.391 2.488 20 30 BEEDRO C#CCOCC[N@@H+](C)CC1CCCCC1 ZINC000761110065 585410051 /nfs/dbraw/zinc/41/00/51/585410051.db2.gz SLOQAXMVXFVASC-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000761109895 585410260 /nfs/dbraw/zinc/41/02/60/585410260.db2.gz QJHILBIMUFJOCA-UHFFFAOYSA-N 1 0 239.265 2.046 20 30 BEEDRO C=CCCCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000805221858 585413335 /nfs/dbraw/zinc/41/33/35/585413335.db2.gz WMGHDTWBHUDGRC-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc([N+](=O)[O-])c2)C[N@@H+]1C ZINC000761795071 585418663 /nfs/dbraw/zinc/41/86/63/585418663.db2.gz WGFPRDYTFBWHPO-SECBINFHSA-N 1 0 248.286 2.087 20 30 BEEDRO C[C@H]1CC(N=Nc2ncccc2Cl)C[N@@H+]1C ZINC000761813601 585419271 /nfs/dbraw/zinc/41/92/71/585419271.db2.gz ZLGCIXAMNKMGSR-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000762924366 585439773 /nfs/dbraw/zinc/43/97/73/585439773.db2.gz CEVKGPKXVIEIQM-GFCCVEGCSA-N 1 0 241.379 2.090 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(F)cc1F ZINC000763901972 585456843 /nfs/dbraw/zinc/45/68/43/585456843.db2.gz SAXPGRFOEKFUTQ-UHFFFAOYSA-N 1 0 240.253 2.021 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000763921521 585456944 /nfs/dbraw/zinc/45/69/44/585456944.db2.gz UUDMLWNWTDDOMR-WCFLWFBJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(F)cc1C ZINC000763927950 585457042 /nfs/dbraw/zinc/45/70/42/585457042.db2.gz NYOVFFKVPSSSSZ-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO C#CCCN(CCC)CC[NH+](CC)CC ZINC000763930792 585457479 /nfs/dbraw/zinc/45/74/79/585457479.db2.gz BWBLHZAQRRFQOK-UHFFFAOYSA-N 1 0 210.365 2.064 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CC)CCCC ZINC000764152307 585460904 /nfs/dbraw/zinc/46/09/04/585460904.db2.gz QLISQPLNEKJKJZ-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCC[N@@H+](C)CCOc1ccccc1OC ZINC000764235395 585462438 /nfs/dbraw/zinc/46/24/38/585462438.db2.gz SQFCOHJWOLGQSM-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)c1cccc(C)c1 ZINC000764472876 585466172 /nfs/dbraw/zinc/46/61/72/585466172.db2.gz VCAFGYMETXECLM-UHFFFAOYSA-N 1 0 232.327 2.076 20 30 BEEDRO C=C(Cl)CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000764536123 585467611 /nfs/dbraw/zinc/46/76/11/585467611.db2.gz FIWHFRVHCOMJHD-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO CC(C)[N@H+]1CC(=NOCC(F)(F)F)[C@@H](C)C1 ZINC000764846751 585475725 /nfs/dbraw/zinc/47/57/25/585475725.db2.gz OYYWILJFVHZFFN-QMMMGPOBSA-N 1 0 238.253 2.281 20 30 BEEDRO CC[N@@H+]1CCC(=NOCC(F)(F)F)[C@H](C)C1 ZINC000764845305 585475845 /nfs/dbraw/zinc/47/58/45/585475845.db2.gz SKYPFYIVERZDAH-MRVPVSSYSA-N 1 0 238.253 2.283 20 30 BEEDRO CC#CCCOC(=O)[C@H](CC)[NH+](CC)CC ZINC000765479680 585487453 /nfs/dbraw/zinc/48/74/53/585487453.db2.gz GZSRLZYNVDIFOA-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cn1cnc2cc(F)c(F)cc21 ZINC000766665555 585504850 /nfs/dbraw/zinc/50/48/50/585504850.db2.gz ITWSAIVSIGMSHC-SECBINFHSA-N 1 0 249.264 2.226 20 30 BEEDRO C#CCCC[N@@H+](C)CCOc1ccccc1OC ZINC000766894851 585509029 /nfs/dbraw/zinc/50/90/29/585509029.db2.gz FRAZMHGUYUYNFI-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C#CCCCOC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000766899424 585509698 /nfs/dbraw/zinc/50/96/98/585509698.db2.gz ROSHNRYOWFPZGS-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO CC(CC[NH+](C)C)N=Nc1cc(Cl)ccn1 ZINC000767384719 585518896 /nfs/dbraw/zinc/51/88/96/585518896.db2.gz AOCKYXYOUZXMGF-UHFFFAOYSA-N 1 0 240.738 2.475 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](O)CC(C)C)ccc1C#N ZINC000767695083 585524929 /nfs/dbraw/zinc/52/49/29/585524929.db2.gz ZJMBOEXWUFIVGJ-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO CCC(=NNC(N)=[NH2+])c1c(F)cccc1Cl ZINC000767743723 585525393 /nfs/dbraw/zinc/52/53/93/585525393.db2.gz LZWBVKDGQZFVTM-UHFFFAOYSA-N 1 0 242.685 2.076 20 30 BEEDRO Cc1cc(C=NNCC[NH+]2CCCCC2)c(C)o1 ZINC000767899244 585527756 /nfs/dbraw/zinc/52/77/56/585527756.db2.gz GMIZMPCNCMUQAB-UHFFFAOYSA-N 1 0 249.358 2.306 20 30 BEEDRO Cc1cc(N)cc(C)c1C=NNCC(F)(F)F ZINC000769825044 585564721 /nfs/dbraw/zinc/56/47/21/585564721.db2.gz OHOAJRBZMZVGKC-UHFFFAOYSA-N 1 0 245.248 2.371 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000769844678 585565138 /nfs/dbraw/zinc/56/51/38/585565138.db2.gz BWNCOUCURBSVQH-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1O ZINC000769945119 585566963 /nfs/dbraw/zinc/56/69/63/585566963.db2.gz PICKXXVEBYGVNE-PWSUYJOCSA-N 1 0 246.310 2.183 20 30 BEEDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1O ZINC000769945120 585567027 /nfs/dbraw/zinc/56/70/27/585567027.db2.gz PICKXXVEBYGVNE-ZYHUDNBSSA-N 1 0 246.310 2.183 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOc1ccc(C)cc1 ZINC000769975407 585568165 /nfs/dbraw/zinc/56/81/65/585568165.db2.gz FWXRVVZDFRNVMM-CYBMUJFWSA-N 1 0 217.312 2.327 20 30 BEEDRO CC(C)CN[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000771557690 585596304 /nfs/dbraw/zinc/59/63/04/585596304.db2.gz KLKHNHYMGNEKNZ-UHFFFAOYSA-N 1 0 237.322 2.471 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=N[C@H]1CCCCC1(C)C ZINC000773126098 585632066 /nfs/dbraw/zinc/63/20/66/585632066.db2.gz TZPGQIYFDTZXIX-AAEUAGOBSA-N 1 0 237.391 2.482 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000773427301 585636671 /nfs/dbraw/zinc/63/66/71/585636671.db2.gz JWJFZCHPXXMQMF-LBPRGKRZSA-N 1 0 225.332 2.180 20 30 BEEDRO CCc1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000774188878 585652976 /nfs/dbraw/zinc/65/29/76/585652976.db2.gz KFMYQLPCDQRCEO-CMPLNLGQSA-N 1 0 232.331 2.144 20 30 BEEDRO CC(CCCC[NH+](C)C)=NOC1CCOCC1 ZINC000774443274 585659297 /nfs/dbraw/zinc/65/92/97/585659297.db2.gz YPDGLTQNINYKLA-UHFFFAOYSA-N 1 0 242.363 2.290 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000774828604 585667005 /nfs/dbraw/zinc/66/70/05/585667005.db2.gz WCPIEFFPUIXDFA-CQSZACIVSA-N 1 0 249.354 2.278 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000775309846 585675269 /nfs/dbraw/zinc/67/52/69/585675269.db2.gz GLUUDHFSGHXUMJ-NSHDSACASA-N 1 0 244.338 2.260 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)c(F)c1)[C@H]1CCCO1 ZINC000775340234 585676054 /nfs/dbraw/zinc/67/60/54/585676054.db2.gz GELTWWZZOLFMFT-LSDHHAIUSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775342692 585676256 /nfs/dbraw/zinc/67/62/56/585676256.db2.gz SOTUFVSDXYXMKC-KBPBESRZSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(C)c1)[C@H]1CCCO1 ZINC000775344829 585676418 /nfs/dbraw/zinc/67/64/18/585676418.db2.gz KJQKPCVMRDQUNQ-LSDHHAIUSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(C)c1)[C@H]1CCCO1 ZINC000775344828 585676602 /nfs/dbraw/zinc/67/66/02/585676602.db2.gz KJQKPCVMRDQUNQ-HUUCEWRRSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(F)ccc1C)[C@H]1CCCO1 ZINC000775347189 585676637 /nfs/dbraw/zinc/67/66/37/585676637.db2.gz GCSGKYHJUZLPFY-LSDHHAIUSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000775571780 585680210 /nfs/dbraw/zinc/68/02/10/585680210.db2.gz LPGXXNTZDZXCMV-OSAQELSMSA-N 1 0 245.322 2.224 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H]1CCCO1 ZINC000775571782 585680491 /nfs/dbraw/zinc/68/04/91/585680491.db2.gz LPGXXNTZDZXCMV-ZLDLUXBVSA-N 1 0 245.322 2.224 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000775801739 585685682 /nfs/dbraw/zinc/68/56/82/585685682.db2.gz YUGQHIVQJKEGRT-CHWSQXEVSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CCCC[NH2+][C@@](C)(CC(=O)OCC)C(C)C ZINC000775894365 585687307 /nfs/dbraw/zinc/68/73/07/585687307.db2.gz FUQSMWRXWQHZTK-AWEZNQCLSA-N 1 0 239.359 2.357 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H](C)Cc1ccccc1 ZINC000775921450 585687628 /nfs/dbraw/zinc/68/76/28/585687628.db2.gz HWTOFHHASIUADE-HNNXBMFYSA-N 1 0 225.335 2.434 20 30 BEEDRO C[C@@H]1CCOCC[N@@H+]1CCC(C)(C)C#N ZINC000776604653 585702087 /nfs/dbraw/zinc/70/20/87/585702087.db2.gz DLMKDHWQWUFTAO-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](CCO)C1CC1 ZINC000776799841 585705775 /nfs/dbraw/zinc/70/57/75/585705775.db2.gz OAXKBFLWDXDVAN-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO Cc1[nH]cnc1C=NOC1CCCCC1 ZINC000777458803 585713032 /nfs/dbraw/zinc/71/30/32/585713032.db2.gz JEVCUSDQXUXNTN-UHFFFAOYSA-N 1 0 207.277 2.401 20 30 BEEDRO CC[C@H](C(=O)OC1(C#N)CCC1)[NH+](CC)CC ZINC000778668399 585738723 /nfs/dbraw/zinc/73/87/23/585738723.db2.gz SHYSXUUUQHIMFX-LLVKDONJSA-N 1 0 238.331 2.096 20 30 BEEDRO C#C[C@H](OC(=O)[C@@H](CC)[NH+](CC)CC)C1CC1 ZINC000778691808 585739343 /nfs/dbraw/zinc/73/93/43/585739343.db2.gz DWNIYQXNSFMLNV-OLZOCXBDSA-N 1 0 237.343 2.062 20 30 BEEDRO N#CCOc1ccc(C[N@H+]2CC=CCC2)cc1 ZINC000778965657 585742916 /nfs/dbraw/zinc/74/29/16/585742916.db2.gz FDOAPZXTPKLZSC-UHFFFAOYSA-N 1 0 228.295 2.351 20 30 BEEDRO C[C@@H](C#N)OC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000779123857 585745513 /nfs/dbraw/zinc/74/55/13/585745513.db2.gz YCBODNUEWVNQKV-JTQLQIEISA-N 1 0 238.331 2.095 20 30 BEEDRO CCCC[C@H]1CCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779792486 585764061 /nfs/dbraw/zinc/76/40/61/585764061.db2.gz SFJOKALVGOYQFL-MNOVXSKESA-N 1 0 236.363 2.270 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc3n[nH]cc3c2)C[N@@H+]1C ZINC000779817106 585766821 /nfs/dbraw/zinc/76/68/21/585766821.db2.gz BXOGYWPDDYIJND-SECBINFHSA-N 1 0 243.314 2.055 20 30 BEEDRO C#CCCCCCC(=O)NCC[NH2+]C(C)(C)C ZINC000780539973 585780241 /nfs/dbraw/zinc/78/02/41/585780241.db2.gz RKXCPNHBPHRPFO-UHFFFAOYSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1c(C)onc1CC ZINC000780742697 585784242 /nfs/dbraw/zinc/78/42/42/585784242.db2.gz BOXZNPZWICKPMJ-SNVBAGLBSA-N 1 0 238.331 2.399 20 30 BEEDRO Cc1ccc(N=NC(C)CCCC[NH+](C)C)nn1 ZINC000781123134 585790677 /nfs/dbraw/zinc/79/06/77/585790677.db2.gz WOGHURSLEOYYLO-UHFFFAOYSA-N 1 0 249.362 2.305 20 30 BEEDRO CC[C@H](C#N)OC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000781186122 585792400 /nfs/dbraw/zinc/79/24/00/585792400.db2.gz GLCNQLKGBRJFQS-FIQHERPVSA-N 1 0 238.331 2.093 20 30 BEEDRO C#CCCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000784361737 585857168 /nfs/dbraw/zinc/85/71/68/585857168.db2.gz LJJQXZIJRNFNQV-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000784456203 585860470 /nfs/dbraw/zinc/86/04/70/585860470.db2.gz ZNMGBDVSSPAJEI-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784575059 585863805 /nfs/dbraw/zinc/86/38/05/585863805.db2.gz MTBVCVCUHJRTHU-CYBMUJFWSA-N 1 0 239.359 2.428 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCC#N)cc1 ZINC000784621232 585865095 /nfs/dbraw/zinc/86/50/95/585865095.db2.gz GMMRFERMNJYGME-LBPRGKRZSA-N 1 0 243.310 2.371 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000785546044 585875595 /nfs/dbraw/zinc/87/55/95/585875595.db2.gz KREGJEUERMSFRS-LSJOCFKGSA-N 1 0 217.740 2.220 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CC(OCC)OCC ZINC000785997379 585884925 /nfs/dbraw/zinc/88/49/25/585884925.db2.gz MICJINQWPQSUBM-GFCCVEGCSA-N 1 0 227.348 2.426 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CCC(=O)C1CC1 ZINC000785999368 585884988 /nfs/dbraw/zinc/88/49/88/585884988.db2.gz TZQQYVXFSWKROH-GFCCVEGCSA-N 1 0 207.317 2.396 20 30 BEEDRO C=CCCN(C)Cn1nc(C)n(CC)c1=S ZINC000786101684 585887354 /nfs/dbraw/zinc/88/73/54/585887354.db2.gz IPSQWDRXVIGZEC-UHFFFAOYSA-N 1 0 240.376 2.208 20 30 BEEDRO C[NH+](C)CCCCCOC(=O)CC(C)(C)C#N ZINC000786431314 585891323 /nfs/dbraw/zinc/89/13/23/585891323.db2.gz LPCKEOXMHMKIRB-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@](C)(O)c1ccco1 ZINC000787775288 585915836 /nfs/dbraw/zinc/91/58/36/585915836.db2.gz OBESZLMBPATKPF-AAEUAGOBSA-N 1 0 236.315 2.017 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]2(C)CO)cc1 ZINC000787781096 585915922 /nfs/dbraw/zinc/91/59/22/585915922.db2.gz PPJYUCHSDHMXBS-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NOCC(F)F)C1 ZINC000788437719 585923325 /nfs/dbraw/zinc/92/33/25/585923325.db2.gz CMJVDPRHCSIUAL-VIFPVBQESA-N 1 0 220.263 2.128 20 30 BEEDRO CC1(C)CCC1=NNCC[NH+]1CCCCC1 ZINC000788995026 585932809 /nfs/dbraw/zinc/93/28/09/585932809.db2.gz QGEKSZZLEZCQHQ-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C#CCCCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000789800402 585950126 /nfs/dbraw/zinc/95/01/26/585950126.db2.gz GAFUJIJQQCCOGL-AWEZNQCLSA-N 1 0 249.354 2.350 20 30 BEEDRO C=CCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000789801137 585950290 /nfs/dbraw/zinc/95/02/90/585950290.db2.gz MCRBQTRNVOZHAX-GFCCVEGCSA-N 1 0 223.316 2.123 20 30 BEEDRO C=C[C@@H](CC)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805909291 585956460 /nfs/dbraw/zinc/95/64/60/585956460.db2.gz WKUVCMQLORBLDY-ZDUSSCGKSA-N 1 0 237.343 2.369 20 30 BEEDRO CC[C@H](C)NN=C1CC[N@H+](CC)C[C@H]1C ZINC000790181949 585959674 /nfs/dbraw/zinc/95/96/74/585959674.db2.gz HCMKFDKHPICYKO-MNOVXSKESA-N 1 0 211.353 2.092 20 30 BEEDRO Cc1cccnc1N=NC1C[N@H+](C2CC2)C[C@H]1C ZINC000790184780 585960305 /nfs/dbraw/zinc/96/03/05/585960305.db2.gz BQITWCDJXLHESM-LLVKDONJSA-N 1 0 244.342 2.272 20 30 BEEDRO CC[C@@H](C)N[NH+]=Cc1ccc(N(C)C)cc1 ZINC000790190704 585960656 /nfs/dbraw/zinc/96/06/56/585960656.db2.gz PPNSNRWOUJGPKR-LLVKDONJSA-N 1 0 219.332 2.475 20 30 BEEDRO Cc1cccnc1N=NC1CCC[N@@H+](C)CC1 ZINC000790193125 585960974 /nfs/dbraw/zinc/96/09/74/585960974.db2.gz UWMZIOHGULMNTC-UHFFFAOYSA-N 1 0 232.331 2.274 20 30 BEEDRO C=CC[N@H+](C(C)C)[C@H]1CCCN(C(C)C)C1=O ZINC000790265846 585962248 /nfs/dbraw/zinc/96/22/48/585962248.db2.gz JBVQJYFCNIZAGK-ZDUSSCGKSA-N 1 0 238.375 2.282 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000791580207 585984609 /nfs/dbraw/zinc/98/46/09/585984609.db2.gz XUFYSQPCKMBRCZ-BDAKNGLRSA-N 1 0 205.223 2.282 20 30 BEEDRO C=C1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792221452 585997938 /nfs/dbraw/zinc/99/79/38/585997938.db2.gz NKCVXIOIGQMKOW-GFCCVEGCSA-N 1 0 235.327 2.124 20 30 BEEDRO C=C(CC)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792546893 586002591 /nfs/dbraw/zinc/00/25/91/586002591.db2.gz SJLUBJFEJZWTJK-UHFFFAOYSA-N 1 0 230.267 2.457 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=NCC1(C)CCCC1 ZINC000793084113 586010012 /nfs/dbraw/zinc/01/00/12/586010012.db2.gz ISQBDBQVYXAGPY-LLVKDONJSA-N 1 0 223.364 2.094 20 30 BEEDRO C[C@H](NN=C1CC[N@@H+]2CCC[C@H]12)C(C)(C)C ZINC000793112832 586010470 /nfs/dbraw/zinc/01/04/70/586010470.db2.gz XRUQGJFVDDQYRX-CMPLNLGQSA-N 1 0 223.364 2.235 20 30 BEEDRO C[C@@H](NN=C1CC[N@@H+]2CCC[C@@H]12)C(C)(C)C ZINC000793112835 586010574 /nfs/dbraw/zinc/01/05/74/586010574.db2.gz XRUQGJFVDDQYRX-PWSUYJOCSA-N 1 0 223.364 2.235 20 30 BEEDRO CC(C)[C@@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000794449604 586039923 /nfs/dbraw/zinc/03/99/23/586039923.db2.gz YJVHPXQALFSHPU-SNVBAGLBSA-N 1 0 206.293 2.328 20 30 BEEDRO CC(N=NC(N)=[NH2+])[C@@H](C)c1ccc(Cl)cc1 ZINC000794488443 586040514 /nfs/dbraw/zinc/04/05/14/586040514.db2.gz HTDKQKQIKWVOFQ-SSDOTTSWSA-N 1 0 238.722 2.302 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000794576340 586044772 /nfs/dbraw/zinc/04/47/72/586044772.db2.gz JGGCKXIFYOSVKG-STQMWFEESA-N 1 0 240.391 2.461 20 30 BEEDRO C=CCN(CCC#N)C[C@H](O)c1ccccc1C ZINC000794733992 586047595 /nfs/dbraw/zinc/04/75/95/586047595.db2.gz JGXKJTWCOLVHSV-HNNXBMFYSA-N 1 0 244.338 2.430 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000794819766 586049379 /nfs/dbraw/zinc/04/93/79/586049379.db2.gz XTBOKLZYIIBEJX-ZDUSSCGKSA-N 1 0 231.343 2.191 20 30 BEEDRO C=CCN[NH+]=C(C)c1ccc(F)cc1N(C)C ZINC000794998559 586063561 /nfs/dbraw/zinc/06/35/61/586063561.db2.gz LVYJEOXOULKOEK-UHFFFAOYSA-N 1 0 235.306 2.391 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000796508634 586105427 /nfs/dbraw/zinc/10/54/27/586105427.db2.gz JDZGNJLGIBPJOE-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO CCCCCCC[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000796576187 586107484 /nfs/dbraw/zinc/10/74/84/586107484.db2.gz VRJLKZPIOIBNKF-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO CC[C@@H]1CC[C@H](C)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000797403463 586126249 /nfs/dbraw/zinc/12/62/49/586126249.db2.gz NORANWCRTDREQJ-GARJFASQSA-N 1 0 236.363 2.126 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)CC1=NNC1=[NH+][C@H](C)CN1 ZINC000797403464 586126277 /nfs/dbraw/zinc/12/62/77/586126277.db2.gz NORANWCRTDREQJ-GMTAPVOTSA-N 1 0 236.363 2.126 20 30 BEEDRO Cc1cc(O)c(C[NH2+]CC2(C#N)CC2)cc1C ZINC000797604638 586129240 /nfs/dbraw/zinc/12/92/40/586129240.db2.gz APPBUIPNCAGZIY-UHFFFAOYSA-N 1 0 230.311 2.402 20 30 BEEDRO CN(C)c1ccc(C[NH2+]CC2(C#N)CC2)cc1 ZINC000797605612 586129304 /nfs/dbraw/zinc/12/93/04/586129304.db2.gz SIAMEWURFOEBIZ-UHFFFAOYSA-N 1 0 229.327 2.146 20 30 BEEDRO CCOc1ccc(O)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000797604683 586129422 /nfs/dbraw/zinc/12/94/22/586129422.db2.gz BDKOBGVJWMWGQD-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO CCOc1ccc(C[NH2+]CC2(C#N)CC2)c(O)c1 ZINC000797605919 586129485 /nfs/dbraw/zinc/12/94/85/586129485.db2.gz YUKRRXIIJJNUFV-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000797878139 586133527 /nfs/dbraw/zinc/13/35/27/586133527.db2.gz NLNCVZGBLFALFY-ZFWWWQNUSA-N 1 0 247.338 2.463 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(CO)ccc1F ZINC000859318813 589031282 /nfs/dbraw/zinc/03/12/82/589031282.db2.gz HTVSCMTXNJJLRJ-AWEZNQCLSA-N 1 0 235.302 2.210 20 30 BEEDRO C#CCCN1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000799146895 586162074 /nfs/dbraw/zinc/16/20/74/586162074.db2.gz IRCMLISOUMQEGJ-OAHLLOKOSA-N 1 0 236.403 2.310 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799194225 586166641 /nfs/dbraw/zinc/16/66/41/586166641.db2.gz QQSVDTGKDRYSKA-LBPRGKRZSA-N 1 0 215.300 2.175 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000859336360 589032290 /nfs/dbraw/zinc/03/22/90/589032290.db2.gz OFLIXFVREALDLZ-GFCCVEGCSA-N 1 0 247.313 2.163 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000799716822 586193973 /nfs/dbraw/zinc/19/39/73/586193973.db2.gz YRYNRWHVTVPLDE-HONMWMINSA-N 1 0 248.301 2.141 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1 ZINC000799724613 586194746 /nfs/dbraw/zinc/19/47/46/586194746.db2.gz GBLNAUKLDAODNI-SNPRPXQTSA-N 1 0 244.338 2.310 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCC2OCCCO2)C1 ZINC000859444235 589037346 /nfs/dbraw/zinc/03/73/46/589037346.db2.gz HORHTQYQULWIJC-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO CC(C)[N@H+](CCO[C@H](C)C#N)Cc1ccccn1 ZINC000801913639 586276363 /nfs/dbraw/zinc/27/63/63/586276363.db2.gz ZLLWWGUDGHIJGM-CYBMUJFWSA-N 1 0 247.342 2.221 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000801937874 586277766 /nfs/dbraw/zinc/27/77/66/586277766.db2.gz AWHXVLASCBXZCS-QWHCGFSZSA-N 1 0 222.332 2.203 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000801930024 586278764 /nfs/dbraw/zinc/27/87/64/586278764.db2.gz BZUXLPQXZQKCAX-AAEUAGOBSA-N 1 0 233.315 2.080 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000801932862 586278969 /nfs/dbraw/zinc/27/89/69/586278969.db2.gz ZWNPLULRPCRVQJ-NSHDSACASA-N 1 0 248.301 2.333 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000801932058 586278988 /nfs/dbraw/zinc/27/89/88/586278988.db2.gz GEXFYPOCUBFLED-VXGBXAGGSA-N 1 0 248.326 2.314 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000801940480 586281017 /nfs/dbraw/zinc/28/10/17/586281017.db2.gz NCQARQDIEBKWOW-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000801941394 586281063 /nfs/dbraw/zinc/28/10/63/586281063.db2.gz NMFNNFBIEWMZFY-RYUDHWBXSA-N 1 0 224.348 2.283 20 30 BEEDRO Cc1cc(OCCO[C@@H](C)C#N)cc(C)[nH+]1 ZINC000802731060 586311328 /nfs/dbraw/zinc/31/13/28/586311328.db2.gz FCCDHZSYEDFKCV-NSHDSACASA-N 1 0 220.272 2.006 20 30 BEEDRO C[C@H]1CC(N=NCC2CCCC2)C[N@@H+]1C1CC1 ZINC000808007130 586458756 /nfs/dbraw/zinc/45/87/56/586458756.db2.gz QZALNJGBOZYANG-NSHDSACASA-N 1 0 235.375 2.379 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@](C)(CC)CC1=O ZINC000808159541 586465170 /nfs/dbraw/zinc/46/51/70/586465170.db2.gz IQCBCRIMBYHBGZ-CQSZACIVSA-N 1 0 238.375 2.491 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000808749736 586487066 /nfs/dbraw/zinc/48/70/66/586487066.db2.gz CPKNRFWFRJKKDQ-ZIAGYGMSSA-N 1 0 243.391 2.022 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1 ZINC000809628860 586509906 /nfs/dbraw/zinc/50/99/06/586509906.db2.gz TVDIBSVJIQBKKW-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)cc1 ZINC000809633978 586510303 /nfs/dbraw/zinc/51/03/03/586510303.db2.gz YOADJMMUPAFHDR-CQSZACIVSA-N 1 0 242.366 2.099 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1 ZINC000809634618 586510479 /nfs/dbraw/zinc/51/04/79/586510479.db2.gz IVMFERLUGBLYTR-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@](O)(CC)C2)cc1 ZINC000809646179 586510655 /nfs/dbraw/zinc/51/06/55/586510655.db2.gz VXJRGFSVZZATLO-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000809648975 586510851 /nfs/dbraw/zinc/51/08/51/586510851.db2.gz OQYNTUMIRKRBPN-OAHLLOKOSA-N 1 0 227.307 2.450 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000809684199 586512049 /nfs/dbraw/zinc/51/20/49/586512049.db2.gz REXIKVBYQQDXCL-RYUDHWBXSA-N 1 0 228.295 2.089 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000809684061 586512102 /nfs/dbraw/zinc/51/21/02/586512102.db2.gz ZROZYISGPBHZBT-SNVBAGLBSA-N 1 0 233.311 2.124 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000809683652 586512411 /nfs/dbraw/zinc/51/24/11/586512411.db2.gz INRZSLZXLGDZSY-LLVKDONJSA-N 1 0 243.285 2.123 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000809684187 586512414 /nfs/dbraw/zinc/51/24/14/586512414.db2.gz QQQFOGUKZARFEN-OLZOCXBDSA-N 1 0 244.338 2.323 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000809684043 586512470 /nfs/dbraw/zinc/51/24/70/586512470.db2.gz YNSONEMQKNEZSK-IOCXFXADSA-N 1 0 230.267 2.219 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1 ZINC000809692638 586513505 /nfs/dbraw/zinc/51/35/05/586513505.db2.gz BZTQYTNJQVXBGJ-OAHLLOKOSA-N 1 0 229.323 2.279 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC000809747258 586517514 /nfs/dbraw/zinc/51/75/14/586517514.db2.gz MWLGAVHQKRSHIN-BPLDGKMQSA-N 1 0 244.338 2.392 20 30 BEEDRO C#CCCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000810094900 586533664 /nfs/dbraw/zinc/53/36/64/586533664.db2.gz YTYQZRNSZVAXSJ-KGLIPLIRSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CC[N@H+](CC#CC)CC1(SC)CCC1 ZINC000811465660 586559595 /nfs/dbraw/zinc/55/95/95/586559595.db2.gz GKCORFPASOJYDD-UHFFFAOYSA-N 1 0 221.369 2.231 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCC3(CCCC3)CC2)=[NH+]1 ZINC000811647097 586562628 /nfs/dbraw/zinc/56/26/28/586562628.db2.gz XNDFQUUBQUHPCY-LLVKDONJSA-N 1 0 248.374 2.414 20 30 BEEDRO C=CCN=NC1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000811649867 586562769 /nfs/dbraw/zinc/56/27/69/586562769.db2.gz ABFRDZVBRBCVCM-ZDUSSCGKSA-N 1 0 243.354 2.412 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NOC/C=C\Cl ZINC000811667710 586565007 /nfs/dbraw/zinc/56/50/07/586565007.db2.gz BLHDJOYOJLZXDT-GSUJTSEKSA-N 1 0 239.706 2.251 20 30 BEEDRO C[N@@H+]1CCCC(=NOC/C=C/Cl)CC1 ZINC000811668391 586565030 /nfs/dbraw/zinc/56/50/30/586565030.db2.gz NHWFZTFJHMHXDU-NPHZPUFASA-N 1 0 216.712 2.227 20 30 BEEDRO CC[N@@H+]1CCC(=NOC/C=C\Cl)[C@H](C)C1 ZINC000811669983 586565358 /nfs/dbraw/zinc/56/53/58/586565358.db2.gz XFBQREDQLWTYBR-DOYVTRJVSA-N 1 0 230.739 2.473 20 30 BEEDRO C#CCON=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000812233577 586571289 /nfs/dbraw/zinc/57/12/89/586571289.db2.gz UNITZNWYDIWIDC-UHFFFAOYSA-N 1 0 248.248 2.040 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NOC1CCC1 ZINC000812235354 586571509 /nfs/dbraw/zinc/57/15/09/586571509.db2.gz SYTDMHBUDIRMLX-UHFFFAOYSA-N 1 0 219.288 2.051 20 30 BEEDRO CC(C)OCCON=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000812240085 586572226 /nfs/dbraw/zinc/57/22/26/586572226.db2.gz IETLTQATOJKYNX-GFCCVEGCSA-N 1 0 242.363 2.144 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCOC(=O)CCCC#N ZINC000812616441 586580723 /nfs/dbraw/zinc/58/07/23/586580723.db2.gz CQIRYMDOULBBJI-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1 ZINC000814629674 586626640 /nfs/dbraw/zinc/62/66/40/586626640.db2.gz PTPRQTOBYQLNNC-LSDHHAIUSA-N 1 0 231.339 2.358 20 30 BEEDRO C[N@H+](CCCCCCO)CC(C)(C)C#N ZINC000814668736 586627519 /nfs/dbraw/zinc/62/75/19/586627519.db2.gz AYNUGIAHUYWOQL-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO COCCON=C(C)c1ccc(C)nc1C ZINC000814864609 586636916 /nfs/dbraw/zinc/63/69/16/586636916.db2.gz FCUHQAJGFYSTIM-UHFFFAOYSA-N 1 0 222.288 2.085 20 30 BEEDRO C[C@@H](C#N)CN[NH+]=C1CCCc2ccc(N)cc21 ZINC000814881415 586642027 /nfs/dbraw/zinc/64/20/27/586642027.db2.gz OFCRPAWOTIXPQS-JTQLQIEISA-N 1 0 242.326 2.058 20 30 BEEDRO CCC(=[NH+]N[C@@H](C)COC)c1cccc(N)c1 ZINC000814895548 586644483 /nfs/dbraw/zinc/64/44/83/586644483.db2.gz NXYRCYDDLTYKNE-JTQLQIEISA-N 1 0 235.331 2.007 20 30 BEEDRO CC(=[NH+]NCCC(C)(C)C)c1ccc(N)nc1 ZINC000814901164 586646580 /nfs/dbraw/zinc/64/65/80/586646580.db2.gz AXGYCGLZSHJLST-UHFFFAOYSA-N 1 0 234.347 2.414 20 30 BEEDRO CC[C@H](C)NN=C(C)C1CC[NH+](C)CC1 ZINC000814913626 586649909 /nfs/dbraw/zinc/64/99/09/586649909.db2.gz RTWITTAIEGHAFB-JTQLQIEISA-N 1 0 211.353 2.092 20 30 BEEDRO CC(=NNCC1CCCC1)C1CC[NH+](C)CC1 ZINC000814933348 586654370 /nfs/dbraw/zinc/65/43/70/586654370.db2.gz LUPXYYYLHBZDCA-UHFFFAOYSA-N 1 0 237.391 2.484 20 30 BEEDRO N#CCCOCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000815089253 586665847 /nfs/dbraw/zinc/66/58/47/586665847.db2.gz CFMMIPMFTYDXKH-AWEZNQCLSA-N 1 0 245.326 2.053 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000815107671 586667326 /nfs/dbraw/zinc/66/73/26/586667326.db2.gz NJQZUNBJDWVAGX-ZDUSSCGKSA-N 1 0 232.327 2.074 20 30 BEEDRO C#CCCN1CC(C)(C)O[C@@](C)(C(F)(F)F)C1 ZINC000815147908 586670092 /nfs/dbraw/zinc/67/00/92/586670092.db2.gz HSHCAHIILSHOMY-LLVKDONJSA-N 1 0 249.276 2.442 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC2(CC1)OCCCO2 ZINC000815156205 586670832 /nfs/dbraw/zinc/67/08/32/586670832.db2.gz XLKDGHWVUCVYOE-ZDUSSCGKSA-N 1 0 237.343 2.017 20 30 BEEDRO C=C(C)CC[NH+]1CCC2(CC1)OCCCO2 ZINC000815157041 586670865 /nfs/dbraw/zinc/67/08/65/586670865.db2.gz ZQRWENGCRGJOFF-UHFFFAOYSA-N 1 0 225.332 2.182 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](O)c1cc(C)cc(C)c1 ZINC000815281446 586676829 /nfs/dbraw/zinc/67/68/29/586676829.db2.gz KKEHYNMBXZBWEM-HNNXBMFYSA-N 1 0 231.339 2.292 20 30 BEEDRO C#CCCOC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815444967 586684646 /nfs/dbraw/zinc/68/46/46/586684646.db2.gz PDTWHTVBPIGJKK-AWEZNQCLSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CCCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815444968 586684804 /nfs/dbraw/zinc/68/48/04/586684804.db2.gz PDTWHTVBPIGJKK-CQSZACIVSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C ZINC000815652032 586690323 /nfs/dbraw/zinc/69/03/23/586690323.db2.gz LSEYDYLRFKNCCK-ZIAGYGMSSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H]2CC23CC3)cc1 ZINC000818229834 586880484 /nfs/dbraw/zinc/88/04/84/586880484.db2.gz DZVGPZJDTHDSBT-AWEZNQCLSA-N 1 0 227.307 2.341 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000859955601 589074027 /nfs/dbraw/zinc/07/40/27/589074027.db2.gz WJNMDEBTOMJZIH-RDBSUJKOSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CCCCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000819016892 586924101 /nfs/dbraw/zinc/92/41/01/586924101.db2.gz VVXLBVWEQURWJJ-CYBMUJFWSA-N 1 0 236.290 2.143 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000819157864 586934341 /nfs/dbraw/zinc/93/43/41/586934341.db2.gz YQCMPLXFUXEEBB-INIZCTEOSA-N 1 0 245.366 2.373 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)CCCCCC ZINC000819212974 586939250 /nfs/dbraw/zinc/93/92/50/586939250.db2.gz CCXAOODSXSILRD-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819283646 586947741 /nfs/dbraw/zinc/94/77/41/586947741.db2.gz LUSPZNPNPPTPMT-AAEUAGOBSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccns1 ZINC000860055123 589076730 /nfs/dbraw/zinc/07/67/30/589076730.db2.gz SAMSBAOCYDMSDQ-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccns1 ZINC000860055119 589076754 /nfs/dbraw/zinc/07/67/54/589076754.db2.gz SAMSBAOCYDMSDQ-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000820557901 587054291 /nfs/dbraw/zinc/05/42/91/587054291.db2.gz IXLZVTZRMRBGKT-YNEHKIRRSA-N 1 0 238.375 2.140 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000821207286 587101702 /nfs/dbraw/zinc/10/17/02/587101702.db2.gz NFRGQDAHWZTPAI-VSKPTYQZSA-N 1 0 229.323 2.064 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000840454201 587104561 /nfs/dbraw/zinc/10/45/61/587104561.db2.gz WHVWGNYCGYPSBY-QWRGUYRKSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc2nonc2c1 ZINC000821353865 587110963 /nfs/dbraw/zinc/11/09/63/587110963.db2.gz CLWBTUWBXHNLLI-UHFFFAOYSA-N 1 0 229.283 2.397 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000821428713 587119463 /nfs/dbraw/zinc/11/94/63/587119463.db2.gz QGEMPUFMSFEZRB-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H](CC#N)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821624201 587133400 /nfs/dbraw/zinc/13/34/00/587133400.db2.gz BNWZMNSKXUYRFO-LLVKDONJSA-N 1 0 246.310 2.207 20 30 BEEDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1O ZINC000822497973 587171719 /nfs/dbraw/zinc/17/17/19/587171719.db2.gz QRBCRBSTZRRNTE-WCQYABFASA-N 1 0 230.311 2.483 20 30 BEEDRO C=CCCCCCCNC(=O)[C@@H](C)[NH+](C)C ZINC000822918660 587193061 /nfs/dbraw/zinc/19/30/61/587193061.db2.gz OSKLZVQGWPZXLB-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000823134184 587204721 /nfs/dbraw/zinc/20/47/21/587204721.db2.gz WERZQSKBQQFYAY-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000823134186 587204833 /nfs/dbraw/zinc/20/48/33/587204833.db2.gz WERZQSKBQQFYAY-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000823881616 587244384 /nfs/dbraw/zinc/24/43/84/587244384.db2.gz AJGIOMFOBSGJJW-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C1CN(C(=O)OC)C1 ZINC000824012092 587248286 /nfs/dbraw/zinc/24/82/86/587248286.db2.gz OJNWCZDWZVJBHV-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000824841134 587287921 /nfs/dbraw/zinc/28/79/21/587287921.db2.gz GHIJUNLVIOROBM-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000824860973 587290627 /nfs/dbraw/zinc/29/06/27/587290627.db2.gz BRCJQQXMMYLLML-CABCVRRESA-N 1 0 246.354 2.186 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000824861913 587291060 /nfs/dbraw/zinc/29/10/60/587291060.db2.gz SILDNZZLVXNJEK-CABCVRRESA-N 1 0 245.322 2.150 20 30 BEEDRO C#CC[N@H+](Cc1cnc2n1CCC2)C1CCCC1 ZINC000824900390 587292341 /nfs/dbraw/zinc/29/23/41/587292341.db2.gz ALPWPRQSCAALOL-UHFFFAOYSA-N 1 0 243.354 2.207 20 30 BEEDRO C#CC[N@H+](Cc1cnn2c1CCC2)C1CCCC1 ZINC000824902040 587292359 /nfs/dbraw/zinc/29/23/59/587292359.db2.gz PPXLYJFAUQEEHW-UHFFFAOYSA-N 1 0 243.354 2.207 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000824953147 587294583 /nfs/dbraw/zinc/29/45/83/587294583.db2.gz HXBXKCZHLYRLJD-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000824953142 587294585 /nfs/dbraw/zinc/29/45/85/587294585.db2.gz HXBXKCZHLYRLJD-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000824958244 587295227 /nfs/dbraw/zinc/29/52/27/587295227.db2.gz TUUCYDKKJKTIMR-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000825168586 587307197 /nfs/dbraw/zinc/30/71/97/587307197.db2.gz KCPGEVDDOXCDGJ-CQSZACIVSA-N 1 0 249.354 2.426 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000825221618 587310222 /nfs/dbraw/zinc/31/02/22/587310222.db2.gz UFVUUGBQRILLOT-SECBINFHSA-N 1 0 226.345 2.252 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC2(F)CC2)c1 ZINC000825226573 587310275 /nfs/dbraw/zinc/31/02/75/587310275.db2.gz KIDVYPBGWGAPBY-UHFFFAOYSA-N 1 0 203.260 2.260 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(O[C@H](C)COC)cc1 ZINC000825878344 587343366 /nfs/dbraw/zinc/34/33/66/587343366.db2.gz KBXCCLUJCCUJTP-QWHCGFSZSA-N 1 0 247.338 2.212 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)CSCCF ZINC000825878177 587343551 /nfs/dbraw/zinc/34/35/51/587343551.db2.gz DONICKFQTJAFGB-VHSXEESVSA-N 1 0 203.326 2.079 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2ccncc2s1 ZINC000825878248 587343567 /nfs/dbraw/zinc/34/35/67/587343567.db2.gz GUZRVZMZYKMWOZ-SECBINFHSA-N 1 0 216.309 2.408 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825878555 587343594 /nfs/dbraw/zinc/34/35/94/587343594.db2.gz RCEHNJWDCIFLDW-VIFPVBQESA-N 1 0 223.703 2.465 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000826535269 587354015 /nfs/dbraw/zinc/35/40/15/587354015.db2.gz VAKMBYUDYHSHNK-CYBMUJFWSA-N 1 0 243.354 2.138 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000826535473 587354158 /nfs/dbraw/zinc/35/41/58/587354158.db2.gz XNIXCJZZMBLIJX-GFCCVEGCSA-N 1 0 243.354 2.143 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000826765013 587361646 /nfs/dbraw/zinc/36/16/46/587361646.db2.gz YFMUOCXNSYJLHT-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000826765012 587361666 /nfs/dbraw/zinc/36/16/66/587361666.db2.gz YFMUOCXNSYJLHT-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1ccc(CC[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000826838238 587363900 /nfs/dbraw/zinc/36/39/00/587363900.db2.gz GDUMBPZJUPHWMM-OAHLLOKOSA-N 1 0 242.322 2.383 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000826948140 587366630 /nfs/dbraw/zinc/36/66/30/587366630.db2.gz WCMLMTLODPJUDS-LBPRGKRZSA-N 1 0 217.316 2.265 20 30 BEEDRO CCOc1ccc(O)c(C[NH+]2CC(CC#N)C2)c1 ZINC000826990681 587367346 /nfs/dbraw/zinc/36/73/46/587367346.db2.gz LDISVSLSSWRJRD-UHFFFAOYSA-N 1 0 246.310 2.136 20 30 BEEDRO C=CC(C)(C)CCNC(=O)/C=C\c1cn(C)cn1 ZINC000826997714 587367653 /nfs/dbraw/zinc/36/76/53/587367653.db2.gz MWJAZVXCUDJZIB-SREVYHEPSA-N 1 0 247.342 2.152 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)CCC ZINC000827516191 587385826 /nfs/dbraw/zinc/38/58/26/587385826.db2.gz NQLMASOZDUPUSX-OAHLLOKOSA-N 1 0 249.329 2.422 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CC1CC1)C1CCOCC1 ZINC000827560252 587388013 /nfs/dbraw/zinc/38/80/13/587388013.db2.gz NWIKTMVTUFLJCK-BXUZGUMPSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccoc1C)C1CCOCC1 ZINC000827555548 587388047 /nfs/dbraw/zinc/38/80/47/587388047.db2.gz WDYVAEFBGGHHMT-AWEZNQCLSA-N 1 0 233.311 2.106 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C)oc1C)C1CCOCC1 ZINC000827565191 587388425 /nfs/dbraw/zinc/38/84/25/587388425.db2.gz JRKKGBIGUCOHSQ-OAHLLOKOSA-N 1 0 247.338 2.414 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](C)CCC)C1CCOCC1 ZINC000827564798 587388503 /nfs/dbraw/zinc/38/85/03/587388503.db2.gz GMIQDYFLUJKUMB-GXTWGEPZSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)CCC)C1CCOCC1 ZINC000827564801 587388510 /nfs/dbraw/zinc/38/85/10/587388510.db2.gz GMIQDYFLUJKUMB-JSGCOSHPSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C)oc1C)C1CCOCC1 ZINC000827565182 587388511 /nfs/dbraw/zinc/38/85/11/587388511.db2.gz JRKKGBIGUCOHSQ-HNNXBMFYSA-N 1 0 247.338 2.414 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(C)(C)C1)C1CCOCC1 ZINC000827561077 587388521 /nfs/dbraw/zinc/38/85/21/587388521.db2.gz XSICRSRWTFLVAZ-ZDUSSCGKSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)c1ccccn1)C1CCOCC1 ZINC000827565197 587388547 /nfs/dbraw/zinc/38/85/47/587388547.db2.gz JSFNYFUAELCRCP-TZMCWYRMSA-N 1 0 244.338 2.161 20 30 BEEDRO C#C[C@@H]([NH2+]C(CC)CC)C1CCOCC1 ZINC000827561050 587388628 /nfs/dbraw/zinc/38/86/28/587388628.db2.gz XLEFVDWCEJFKLE-CYBMUJFWSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](CC)C(C)C)C1CCOCC1 ZINC000827566473 587388729 /nfs/dbraw/zinc/38/87/29/587388729.db2.gz VRJUJBNWVKJOBF-KBPBESRZSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H](C)CC)C1CCOCC1 ZINC000827566345 587388893 /nfs/dbraw/zinc/38/88/93/587388893.db2.gz VFFOUOIFTDKZJP-DYEKYZERSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccsc1)C1CCOCC1 ZINC000827569690 587388895 /nfs/dbraw/zinc/38/88/95/587388895.db2.gz CVJHCKBHRBCAMZ-CYBMUJFWSA-N 1 0 235.352 2.266 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1C)C1CCOCC1 ZINC000827565781 587389033 /nfs/dbraw/zinc/38/90/33/587389033.db2.gz ONCTUMZOXCODNJ-KWCYVHTRSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+]CC(C)(C)C)C1CCOCC1 ZINC000827570656 587389312 /nfs/dbraw/zinc/38/93/12/587389312.db2.gz PPSCXZPCFGFSTK-LBPRGKRZSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1F)C1CCOCC1 ZINC000827570264 587389399 /nfs/dbraw/zinc/38/93/99/587389399.db2.gz KJPZGWWLHITXRQ-HNNXBMFYSA-N 1 0 247.313 2.344 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(F)c1)C1CCOCC1 ZINC000827570354 587389520 /nfs/dbraw/zinc/38/95/20/587389520.db2.gz MXLBOFBLGPKFJD-OAHLLOKOSA-N 1 0 247.313 2.344 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1(SC)CCC1 ZINC000827827102 587401718 /nfs/dbraw/zinc/40/17/18/587401718.db2.gz PFYCMVZIKBCBCV-UHFFFAOYSA-N 1 0 241.400 2.244 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cc(C)ccc1O ZINC000827822751 587404495 /nfs/dbraw/zinc/40/44/95/587404495.db2.gz FBVQEXGTZVSOBE-UHFFFAOYSA-N 1 0 247.338 2.172 20 30 BEEDRO C#CC[N@H+](CC)CCCN(C)c1ccccc1 ZINC000827975571 587413978 /nfs/dbraw/zinc/41/39/78/587413978.db2.gz IVHGKGGLSJSNBA-UHFFFAOYSA-N 1 0 230.355 2.468 20 30 BEEDRO C=CCCCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000828422100 587441628 /nfs/dbraw/zinc/44/16/28/587441628.db2.gz ODPPTARCJAVVMF-UHFFFAOYSA-N 1 0 225.332 2.182 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1c(F)cccc1F ZINC000828434275 587442110 /nfs/dbraw/zinc/44/21/10/587442110.db2.gz SMZPPACRZGTYCT-SNVBAGLBSA-N 1 0 223.266 2.461 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@H]1CCCO1 ZINC000828952573 587474998 /nfs/dbraw/zinc/47/49/98/587474998.db2.gz ARGTUEGTKWQYDJ-SDDRHHMPSA-N 1 0 243.297 2.192 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000829783736 587513592 /nfs/dbraw/zinc/51/35/92/587513592.db2.gz BOTZHDWSVHBUJF-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000829773516 587514964 /nfs/dbraw/zinc/51/49/64/587514964.db2.gz FJBYSQOAYHPZNH-NEPJUHHUSA-N 1 0 247.342 2.428 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCOCC)C1 ZINC000829783680 587515579 /nfs/dbraw/zinc/51/55/79/587515579.db2.gz AFXWMVUMBZWVMM-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000829783735 587515839 /nfs/dbraw/zinc/51/58/39/587515839.db2.gz BOTZHDWSVHBUJF-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC000829779312 587515946 /nfs/dbraw/zinc/51/59/46/587515946.db2.gz QJBZJSBGEHCOQG-JQWIXIFHSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccc(OC)n2)C1 ZINC000829783824 587515990 /nfs/dbraw/zinc/51/59/90/587515990.db2.gz CHGMHTUGLAMSNS-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)CCC=C)C1 ZINC000829788809 587516126 /nfs/dbraw/zinc/51/61/26/587516126.db2.gz HDXMRRCJWBIWLJ-ZIAGYGMSSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000829785780 587516181 /nfs/dbraw/zinc/51/61/81/587516181.db2.gz ZDAHHLBZLLJFBE-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000829785369 587516186 /nfs/dbraw/zinc/51/61/86/587516186.db2.gz VBVDEEQYQGAUEB-OAHLLOKOSA-N 1 0 245.370 2.235 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)CCOC)C1 ZINC000829784445 587516271 /nfs/dbraw/zinc/51/62/71/587516271.db2.gz KGTLAFMXZDPGTJ-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000829810915 587518103 /nfs/dbraw/zinc/51/81/03/587518103.db2.gz WFUSXYPPUUOCRM-CQSZACIVSA-N 1 0 243.350 2.414 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCOCC(F)F)C1 ZINC000829810404 587518593 /nfs/dbraw/zinc/51/85/93/587518593.db2.gz PQEPULMZSAXSOQ-NSHDSACASA-N 1 0 231.286 2.003 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccncc2F)C1 ZINC000829815258 587519841 /nfs/dbraw/zinc/51/98/41/587519841.db2.gz ICWUFCVMTFWVFG-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO CCCCCCC[N@H+](C)CCNC(C)=O ZINC000830131691 587537900 /nfs/dbraw/zinc/53/79/00/587537900.db2.gz ZAAHEGZQKCZQNY-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO C#CC1CC[NH+](CCc2cncs2)CC1 ZINC000830350656 587547257 /nfs/dbraw/zinc/54/72/57/587547257.db2.gz FJWCZLFKRRFGFT-UHFFFAOYSA-N 1 0 220.341 2.031 20 30 BEEDRO C=C1CCC(CNC(=O)C[N@@H+](C)CCC)CC1 ZINC000831002256 587581373 /nfs/dbraw/zinc/58/13/73/587581373.db2.gz URGNRHOGLJNITP-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831005560 587582533 /nfs/dbraw/zinc/58/25/33/587582533.db2.gz NEUWVMQHVZDZRP-RQJABVFESA-N 1 0 201.313 2.154 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc(C)cn1 ZINC000831058737 587584309 /nfs/dbraw/zinc/58/43/09/587584309.db2.gz MMBJBRFWDTWNGO-UHFFFAOYSA-N 1 0 202.301 2.235 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831485369 587613194 /nfs/dbraw/zinc/61/31/94/587613194.db2.gz BRABUZHRUPMYSZ-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000831527665 587616715 /nfs/dbraw/zinc/61/67/15/587616715.db2.gz GQYQGVBRCVRVGL-WCBMZHEXSA-N 1 0 203.713 2.096 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCC[C@H]1C(=O)OCC ZINC000831675254 587627509 /nfs/dbraw/zinc/62/75/09/587627509.db2.gz YNUPEZVPNXKAKO-OLZOCXBDSA-N 1 0 237.343 2.111 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](CC)C[C@H]1CC ZINC000831965095 587639683 /nfs/dbraw/zinc/63/96/83/587639683.db2.gz OXTBWDCWKATNGB-LLVKDONJSA-N 1 0 216.756 2.155 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832034255 587643609 /nfs/dbraw/zinc/64/36/09/587643609.db2.gz LRMHWJYIWZHTKR-OLZOCXBDSA-N 1 0 237.343 2.180 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000832209594 587650763 /nfs/dbraw/zinc/65/07/63/587650763.db2.gz LRWONRZSSDMHNL-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCCCN1CC[N@H+](CCCC#C)CC(C)C1 ZINC000832317473 587654236 /nfs/dbraw/zinc/65/42/36/587654236.db2.gz JEMGACWWZRESBR-UHFFFAOYSA-N 1 0 246.398 2.067 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1[C@H](C)CCC1(C)C ZINC000832565223 587666934 /nfs/dbraw/zinc/66/69/34/587666934.db2.gz POLGJFVBDOQHCE-MNOVXSKESA-N 1 0 210.321 2.178 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834701775 587764433 /nfs/dbraw/zinc/76/44/33/587764433.db2.gz GCARNDOROOQFAK-AAEUAGOBSA-N 1 0 247.338 2.154 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)n(C)n1 ZINC000834880375 587769286 /nfs/dbraw/zinc/76/92/86/587769286.db2.gz WNIMCCCQBUQYQA-AGIUHOORSA-N 1 0 246.358 2.462 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000834903735 587769873 /nfs/dbraw/zinc/76/98/73/587769873.db2.gz QCAJWGMDMLOMSV-VXGBXAGGSA-N 1 0 217.312 2.181 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2CCC(O)CC2)c1 ZINC000834903021 587770027 /nfs/dbraw/zinc/77/00/27/587770027.db2.gz NQBDNUGRTFEQRA-UHFFFAOYSA-N 1 0 229.323 2.061 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cc(C)nn1C ZINC000834902091 587770050 /nfs/dbraw/zinc/77/00/50/587770050.db2.gz DQHYMNAODSPAQV-LLVKDONJSA-N 1 0 207.321 2.345 20 30 BEEDRO CCCC(=[NH+]n1cnnc1)C1CCCC1 ZINC000834911844 587770264 /nfs/dbraw/zinc/77/02/64/587770264.db2.gz HUDZIHKISSWMBK-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@@H]1CCCC[C@@H]1C ZINC000834912241 587770557 /nfs/dbraw/zinc/77/05/57/587770557.db2.gz NHUQEWWSNIDMLJ-GXSJLCMTSA-N 1 0 206.293 2.328 20 30 BEEDRO C[NH+](C)C[C@](C)(C=NNC1CC1)c1ccccc1 ZINC000834969738 587774132 /nfs/dbraw/zinc/77/41/32/587774132.db2.gz VXDAOJLWQAIKEQ-HNNXBMFYSA-N 1 0 245.370 2.244 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N=Nc2ccncn2)CC1 ZINC000835001255 587776978 /nfs/dbraw/zinc/77/69/78/587776978.db2.gz FDJVGBAZUZHZSZ-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO C=CCO[NH+]=C1CCc2cc(N)ccc21 ZINC000835016011 587778364 /nfs/dbraw/zinc/77/83/64/587778364.db2.gz UYFFXJXKYRHNLQ-UHFFFAOYSA-N 1 0 202.257 2.122 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C1CCCC1 ZINC000837037423 587848267 /nfs/dbraw/zinc/84/82/67/587848267.db2.gz ITFQHEHICNIPCY-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+](Cc1ccc(C)nn1)C(C)C ZINC000840910044 587929357 /nfs/dbraw/zinc/92/93/57/587929357.db2.gz KEDWHXIJAHHUSZ-UHFFFAOYSA-N 1 0 205.305 2.181 20 30 BEEDRO Cc1ccc(O)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000841899152 587983049 /nfs/dbraw/zinc/98/30/49/587983049.db2.gz STSYPDRKVXJNIG-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO C#CCC[NH+]1CCC(OC)(C(F)(F)F)CC1 ZINC000842162624 588004876 /nfs/dbraw/zinc/00/48/76/588004876.db2.gz ZTIZSNFXLRCIRD-UHFFFAOYSA-N 1 0 235.249 2.053 20 30 BEEDRO C#CCCCN(C)C(C)(C)C[NH+]1CCCC1 ZINC000842171491 588006169 /nfs/dbraw/zinc/00/61/69/588006169.db2.gz RYSAPMWJMXVWKF-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO Nc1ccc2c(c1)CCC2=[NH+]NC12CC(C1)C2 ZINC000842544380 588039241 /nfs/dbraw/zinc/03/92/41/588039241.db2.gz SFIQAXPCBBYAMN-UHFFFAOYSA-N 1 0 227.311 2.061 20 30 BEEDRO Nc1ccc2c(c1)C(=[NH+]NC13CC(C1)C3)CCC2 ZINC000842544384 588039477 /nfs/dbraw/zinc/03/94/77/588039477.db2.gz SHHRKLYTUFJPHM-UHFFFAOYSA-N 1 0 241.338 2.451 20 30 BEEDRO CN(C)c1ccc(C=[NH+]NC23CC(C2)C3)cc1F ZINC000842547275 588041191 /nfs/dbraw/zinc/04/11/91/588041191.db2.gz VLJVZZQSJIONKH-UHFFFAOYSA-N 1 0 247.317 2.368 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CN2C(=O)CCC2(C)C)C1 ZINC000842629544 588047041 /nfs/dbraw/zinc/04/70/41/588047041.db2.gz PGJICGJWIJRNOJ-ZDUSSCGKSA-N 1 0 248.370 2.080 20 30 BEEDRO C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CCC#N ZINC000843100436 588081151 /nfs/dbraw/zinc/08/11/51/588081151.db2.gz HPWQGDFTAKMUAB-ZWNOBZJWSA-N 1 0 236.290 2.141 20 30 BEEDRO C=CCCc1noc(C[C@@H](C)C2CC[NH2+]CC2)n1 ZINC000843238787 588095390 /nfs/dbraw/zinc/09/53/90/588095390.db2.gz ZIQDGOOMHIGPNI-LLVKDONJSA-N 1 0 249.358 2.366 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000843422378 588107680 /nfs/dbraw/zinc/10/76/80/588107680.db2.gz DZWLCRHAIOZOBB-OLZOCXBDSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000843423753 588107790 /nfs/dbraw/zinc/10/77/90/588107790.db2.gz JGCAXIKUYJNMLT-NSHDSACASA-N 1 0 220.341 2.378 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(C)nn2)C1 ZINC000843423506 588108102 /nfs/dbraw/zinc/10/81/02/588108102.db2.gz NTTPEFVVERXTRO-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)N(CC)OC ZINC000843430123 588108856 /nfs/dbraw/zinc/10/88/56/588108856.db2.gz GBYXOHQOLIPVDG-LBPRGKRZSA-N 1 0 242.363 2.121 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000844400775 588189920 /nfs/dbraw/zinc/18/99/20/588189920.db2.gz CBNWCXLGQHOTBK-CHWSQXEVSA-N 1 0 229.364 2.038 20 30 BEEDRO C#CC[N@@H+]1CCc2ccc(F)cc2[C@@H](C)C1 ZINC000844470561 588198094 /nfs/dbraw/zinc/19/80/94/588198094.db2.gz WZFFNNVQSJZWAQ-NSHDSACASA-N 1 0 217.287 2.421 20 30 BEEDRO C=C(C)CON=C1C[N@H+](C2CC2)C[C@H]1C ZINC000844618856 588208711 /nfs/dbraw/zinc/20/87/11/588208711.db2.gz LANKEHLXBZRDLR-SNVBAGLBSA-N 1 0 208.305 2.049 20 30 BEEDRO C=C[C@H](C)ON=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000844621322 588209385 /nfs/dbraw/zinc/20/93/85/588209385.db2.gz GFLQVUXOCARXCO-UWVGGRQHSA-N 1 0 208.305 2.048 20 30 BEEDRO C=C[C@@H](C)ON=C1C[N@H+](C(C)C)C[C@H]1C ZINC000844621718 588209877 /nfs/dbraw/zinc/20/98/77/588209877.db2.gz LUHFQXCCWIROFY-GHMZBOCLSA-N 1 0 210.321 2.294 20 30 BEEDRO C=CCCCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC000844642197 588211882 /nfs/dbraw/zinc/21/18/82/588211882.db2.gz HXRUUUZKJAQBTD-AGIUHOORSA-N 1 0 238.375 2.282 20 30 BEEDRO C#CCCCC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845737281 588243173 /nfs/dbraw/zinc/24/31/73/588243173.db2.gz XGQUVZFLTOIYID-LBPRGKRZSA-N 1 0 237.343 2.206 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)C2CC2)C1 ZINC000845939448 588251106 /nfs/dbraw/zinc/25/11/06/588251106.db2.gz ZLOVTWIZGQLOKY-KGYLQXTDSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2COC(C)(C)OC2)C1 ZINC000845954007 588251391 /nfs/dbraw/zinc/25/13/91/588251391.db2.gz KQLRBNWHFHTOCD-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000845954091 588251543 /nfs/dbraw/zinc/25/15/43/588251543.db2.gz LZIDWGKJFFLDNF-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)OCCCO2)C1 ZINC000845963135 588252022 /nfs/dbraw/zinc/25/20/22/588252022.db2.gz LKKXRKMBNGSONM-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc2cnccc2o1 ZINC000845972871 588252226 /nfs/dbraw/zinc/25/22/26/588252226.db2.gz QHAMWFVEBLYSEL-LLVKDONJSA-N 1 0 214.268 2.329 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](COC)CC(C)(C)C ZINC000845972461 588252427 /nfs/dbraw/zinc/25/24/27/588252427.db2.gz OWDICTRALQCGFR-NWDGAFQWSA-N 1 0 211.349 2.439 20 30 BEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)CC1(F)CC1 ZINC000846005577 588253553 /nfs/dbraw/zinc/25/35/53/588253553.db2.gz ACPKBVMPBUCSDU-CYBMUJFWSA-N 1 0 248.301 2.026 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000846172607 588259307 /nfs/dbraw/zinc/25/93/07/588259307.db2.gz ZNYCSTGQTYAYLO-HUUCEWRRSA-N 1 0 234.387 2.276 20 30 BEEDRO C=CC[N@@H+](CCCc1cncn1C)C(C)C ZINC000846775923 588287644 /nfs/dbraw/zinc/28/76/44/588287644.db2.gz GCHHOIQSTITXKF-UHFFFAOYSA-N 1 0 221.348 2.249 20 30 BEEDRO C#CCC[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000846923350 588296226 /nfs/dbraw/zinc/29/62/26/588296226.db2.gz OKUMWALFHAJZLE-UHFFFAOYSA-N 1 0 212.296 2.194 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CCC2(C)C)nn1 ZINC000846959044 588298621 /nfs/dbraw/zinc/29/86/21/588298621.db2.gz HJQOSKQMWAQKMW-LBPRGKRZSA-N 1 0 234.347 2.132 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000846993208 588300601 /nfs/dbraw/zinc/30/06/01/588300601.db2.gz MWNLJZDUWYYBQX-SFYZADRCSA-N 1 0 221.131 2.462 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCCSCCOC)C1 ZINC000847019556 588301497 /nfs/dbraw/zinc/30/14/97/588301497.db2.gz RIXOLNWKFVQUEY-ZDUSSCGKSA-N 1 0 241.400 2.101 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000847018751 588301785 /nfs/dbraw/zinc/30/17/85/588301785.db2.gz MLTBXPAIMFYYSO-NSHDSACASA-N 1 0 241.294 2.068 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(C)n2)C1 ZINC000847018963 588302017 /nfs/dbraw/zinc/30/20/17/588302017.db2.gz NOJDQBHTEILEDF-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000847018852 588302256 /nfs/dbraw/zinc/30/22/56/588302256.db2.gz NBBUPCDYUSUEIT-GOEBONIOSA-N 1 0 243.350 2.455 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2(COC)CCC2)C1 ZINC000847019832 588302421 /nfs/dbraw/zinc/30/24/21/588302421.db2.gz SSXWHISNKZZULT-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000847022150 588302673 /nfs/dbraw/zinc/30/26/73/588302673.db2.gz SMKDHOKTGYQKLV-AWEZNQCLSA-N 1 0 228.339 2.359 20 30 BEEDRO C#C[C@H]1CCCN(Cc2noc(CCCC)n2)C1 ZINC000847022243 588302892 /nfs/dbraw/zinc/30/28/92/588302892.db2.gz GKHKZHFLVGNOGJ-LBPRGKRZSA-N 1 0 247.342 2.257 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000847033844 588304331 /nfs/dbraw/zinc/30/43/31/588304331.db2.gz GYJHVBNKUCZAHR-ZDUSSCGKSA-N 1 0 221.344 2.337 20 30 BEEDRO C[C@@H](C[NH+]1CCCC1)OC(=O)CCCCC#N ZINC000847734665 588328089 /nfs/dbraw/zinc/32/80/89/588328089.db2.gz HUCMEXXLCMHQCW-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO CC#CCCCC(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847821623 588333698 /nfs/dbraw/zinc/33/36/98/588333698.db2.gz JRYRBEYIRSRXEX-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847821603 588333931 /nfs/dbraw/zinc/33/39/31/588333931.db2.gz JGAAOEIEFNZFPH-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCC(=O)OC[C@H](C)[NH+]1CCCCC1 ZINC000847959979 588345235 /nfs/dbraw/zinc/34/52/35/588345235.db2.gz KOEFMOIXOPVYJX-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO c1ccc(N=NC2CCC[N@H+]3CCCC[C@H]23)nc1 ZINC000848401051 588377936 /nfs/dbraw/zinc/37/79/36/588377936.db2.gz SMGPMGLNUPYIQU-CYBMUJFWSA-N 1 0 244.342 2.498 20 30 BEEDRO CC(C)c1ccccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000848408329 588378933 /nfs/dbraw/zinc/37/89/33/588378933.db2.gz JVINRYRHRUINJL-NSHDSACASA-N 1 0 244.342 2.081 20 30 BEEDRO FC(F)(F)CN=NC1CCC[N@@H+]2CCCC[C@H]12 ZINC000848408702 588379260 /nfs/dbraw/zinc/37/92/60/588379260.db2.gz WMCUXPIHBTZULE-SNVBAGLBSA-N 1 0 249.280 2.143 20 30 BEEDRO CCOCCON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848409079 588379354 /nfs/dbraw/zinc/37/93/54/588379354.db2.gz KXRLRONHKLOHGF-ZDUSSCGKSA-N 1 0 240.347 2.044 20 30 BEEDRO CC[C@@H](C)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848409511 588379535 /nfs/dbraw/zinc/37/95/35/588379535.db2.gz YEISZYLMGQWDQZ-DGCLKSJQSA-N 1 0 223.364 2.379 20 30 BEEDRO CC(C)ON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848412667 588380306 /nfs/dbraw/zinc/38/03/06/588380306.db2.gz YQSTZSCXJISJPG-GFCCVEGCSA-N 1 0 210.321 2.416 20 30 BEEDRO Cc1cc(OCCO[C@H](C)C#N)c(C)c(C)[nH+]1 ZINC000848515468 588389021 /nfs/dbraw/zinc/38/90/21/588389021.db2.gz NJGVXZOYXLMNEQ-SNVBAGLBSA-N 1 0 234.299 2.314 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)[C@H]1CCCO1 ZINC000848545158 588393050 /nfs/dbraw/zinc/39/30/50/588393050.db2.gz AKNBGXBXZXYGIG-QNWHQSFQSA-N 1 0 239.384 2.041 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc(Cl)n1C ZINC000848555191 588396678 /nfs/dbraw/zinc/39/66/78/588396678.db2.gz MPLGGSVFVUTOBH-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc(Cl)n1C ZINC000848555190 588396692 /nfs/dbraw/zinc/39/66/92/588396692.db2.gz MNXMPYFYHLTFCI-UHFFFAOYSA-N 1 0 227.739 2.375 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(COC)CC2)cc1 ZINC000848565065 588398267 /nfs/dbraw/zinc/39/82/67/588398267.db2.gz LJBHSFLELXFMEX-UHFFFAOYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#CCCCNc1nc(C2CC2)nc(C)c1OC ZINC000848669401 588404506 /nfs/dbraw/zinc/40/45/06/588404506.db2.gz FDRNMHVRTGXVDJ-UHFFFAOYSA-N 1 0 245.326 2.496 20 30 BEEDRO C#CCCCCNc1ncnc(C)c1OC ZINC000848673245 588404520 /nfs/dbraw/zinc/40/45/20/588404520.db2.gz YTAFFPXVWVSOLV-UHFFFAOYSA-N 1 0 219.288 2.009 20 30 BEEDRO C#CC[NH+](CC#C)Cc1cccc(CC)c1O ZINC000848886949 588416711 /nfs/dbraw/zinc/41/67/11/588416711.db2.gz KSDDJYAVVHKKQG-UHFFFAOYSA-N 1 0 227.307 2.023 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848905184 588418590 /nfs/dbraw/zinc/41/85/90/588418590.db2.gz IEGQQSGLRWJLBG-CMDGGOBGSA-N 1 0 249.310 2.474 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000848923408 588421463 /nfs/dbraw/zinc/42/14/63/588421463.db2.gz DJPHWZKZPPEHSN-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2C)C1 ZINC000848924284 588421580 /nfs/dbraw/zinc/42/15/80/588421580.db2.gz PFIIGVSJVXJQLP-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000848924307 588421649 /nfs/dbraw/zinc/42/16/49/588421649.db2.gz PPVPHNWVHKFHRF-NWDGAFQWSA-N 1 0 209.358 2.085 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(Cl)o1 ZINC000848982016 588424034 /nfs/dbraw/zinc/42/40/34/588424034.db2.gz IRCYGHOZZUPQKU-UHFFFAOYSA-N 1 0 227.695 2.123 20 30 BEEDRO Cc1ccc(CCCNC2=[NH+]C[C@H](C)N2)c(C)c1 ZINC000848982776 588424569 /nfs/dbraw/zinc/42/45/69/588424569.db2.gz PSWRMNRFEQMFJL-ZDUSSCGKSA-N 1 0 245.370 2.173 20 30 BEEDRO COc1cccc(NC(=[NH2+])NCCCCC#N)c1 ZINC000849003239 588431287 /nfs/dbraw/zinc/43/12/87/588431287.db2.gz ZMIVCYKAJQRHOL-UHFFFAOYSA-N 1 0 246.314 2.325 20 30 BEEDRO C[C@@H](C#N)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849003925 588431680 /nfs/dbraw/zinc/43/16/80/588431680.db2.gz OJMBBEBJPQMZHT-JTQLQIEISA-N 1 0 242.326 2.271 20 30 BEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@@H](C)C#N ZINC000849004021 588431819 /nfs/dbraw/zinc/43/18/19/588431819.db2.gz USIMSEYFSIGTAJ-RYUDHWBXSA-N 1 0 238.379 2.475 20 30 BEEDRO C[NH+]=C(NC/C=C\c1ccccc1)NC1CC1 ZINC000849008757 588433885 /nfs/dbraw/zinc/43/38/85/588433885.db2.gz QBFPJNYNWNINFO-YVMONPNESA-N 1 0 229.327 2.027 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000849010149 588434928 /nfs/dbraw/zinc/43/49/28/588434928.db2.gz FFVRVEWMJSLGCP-HIFRSBDPSA-N 1 0 243.354 2.044 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCC2(C#N)CC2)c1 ZINC000849025876 588440605 /nfs/dbraw/zinc/44/06/05/588440605.db2.gz JJJWPBWCEDUCEZ-UHFFFAOYSA-N 1 0 242.326 2.489 20 30 BEEDRO C=CCCCCCCCNC1=[NH+]C[C@@H](C)N1 ZINC000849029367 588441977 /nfs/dbraw/zinc/44/19/77/588441977.db2.gz SOEFMUHKPNGHSZ-GFCCVEGCSA-N 1 0 223.364 2.450 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])NCCCOCC ZINC000849030376 588442457 /nfs/dbraw/zinc/44/24/57/588442457.db2.gz HNCGJVPLVSJJQJ-UHFFFAOYSA-N 1 0 241.379 2.129 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCC(C)(F)F ZINC000849032277 588443590 /nfs/dbraw/zinc/44/35/90/588443590.db2.gz JTSWHNROEFHQKW-UHFFFAOYSA-N 1 0 219.279 2.112 20 30 BEEDRO C=C(C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849035776 588445221 /nfs/dbraw/zinc/44/52/21/588445221.db2.gz IFLHYVWTMIQJCX-LLVKDONJSA-N 1 0 209.337 2.209 20 30 BEEDRO C[NH+]=C(NCC1(C2CCC2)CCC1)NC1CC1 ZINC000849039096 588446836 /nfs/dbraw/zinc/44/68/36/588446836.db2.gz HVHNFFLJFSVWML-UHFFFAOYSA-N 1 0 235.375 2.284 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](CC)CC(F)(F)F ZINC000849042203 588448385 /nfs/dbraw/zinc/44/83/85/588448385.db2.gz CHNJPRIBPCSFLE-MRVPVSSYSA-N 1 0 237.269 2.265 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849044803 588449586 /nfs/dbraw/zinc/44/95/86/588449586.db2.gz GUQBVHXABYITJV-UHFFFAOYSA-N 1 0 244.342 2.165 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1CCC(F)CC1 ZINC000849045965 588449839 /nfs/dbraw/zinc/44/98/39/588449839.db2.gz JWZWKHBEQBKFAK-UHFFFAOYSA-N 1 0 227.327 2.205 20 30 BEEDRO CCc1cccc(CNC(NC2CC2)=[NH+]C)c1 ZINC000849049613 588451557 /nfs/dbraw/zinc/45/15/57/588451557.db2.gz SLWVCKRVPNILFL-UHFFFAOYSA-N 1 0 231.343 2.076 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(=C)c1ccccc1 ZINC000849077764 588452129 /nfs/dbraw/zinc/45/21/29/588452129.db2.gz LZQCUZSENBOWJQ-UHFFFAOYSA-N 1 0 229.327 2.390 20 30 BEEDRO CCNC(NCCc1ccc(C)c(C)c1)=[NH+]CC ZINC000849215280 588462376 /nfs/dbraw/zinc/46/23/76/588462376.db2.gz ZONZEAROPWOOGP-UHFFFAOYSA-N 1 0 247.386 2.421 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)C2(C)CC2)nn1 ZINC000850093805 588519724 /nfs/dbraw/zinc/51/97/24/588519724.db2.gz JYGPTYWEIDUKFL-LLVKDONJSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCCC1(C[NH2+]Cc2cnn(C)n2)CCCC1 ZINC000850352408 588538159 /nfs/dbraw/zinc/53/81/59/588538159.db2.gz VADUPEBMTHMECO-UHFFFAOYSA-N 1 0 248.374 2.431 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCN(C)C(=O)OC)C1 ZINC000850389935 588543223 /nfs/dbraw/zinc/54/32/23/588543223.db2.gz MNYFBZVEEOFVNU-NWDGAFQWSA-N 1 0 240.347 2.019 20 30 BEEDRO C#CCSCC[NH2+]C1CC(CF)(CF)C1 ZINC000850442396 588546931 /nfs/dbraw/zinc/54/69/31/588546931.db2.gz CTRUFIGRWARYGT-UHFFFAOYSA-N 1 0 233.327 2.030 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCSCC1)[C@H]1CCCO1 ZINC000850461995 588548405 /nfs/dbraw/zinc/54/84/05/588548405.db2.gz NSNUPIKGBJXYEN-FRRDWIJNSA-N 1 0 239.384 2.043 20 30 BEEDRO CC[C@@H]([NH2+]CCN(C)OC)c1ccc(C#N)cc1 ZINC000850479303 588550649 /nfs/dbraw/zinc/55/06/49/588550649.db2.gz PRQGMBPONRYCJA-CQSZACIVSA-N 1 0 247.342 2.092 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCN(C)OC ZINC000850480553 588551115 /nfs/dbraw/zinc/55/11/15/588551115.db2.gz STDIMUKWFBKRJW-LBPRGKRZSA-N 1 0 214.353 2.204 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](O)c3ccccc32)C1 ZINC000850527204 588557233 /nfs/dbraw/zinc/55/72/33/588557233.db2.gz VCYYQYFCFNMMAO-PKIAMQTDSA-N 1 0 242.322 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000850573010 588561004 /nfs/dbraw/zinc/56/10/04/588561004.db2.gz SIFATEBKBBVESB-PSASIEDQSA-N 1 0 241.718 2.243 20 30 BEEDRO C=CCN(CC=C(C)C)CC(=O)OCC ZINC000110054677 588609725 /nfs/dbraw/zinc/60/97/25/588609725.db2.gz SPSCJXDSQSSLQG-UHFFFAOYSA-N 1 0 211.305 2.004 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000851712714 588615912 /nfs/dbraw/zinc/61/59/12/588615912.db2.gz SEPCTZZFPWBMOP-CYBMUJFWSA-N 1 0 247.338 2.338 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000851712812 588615998 /nfs/dbraw/zinc/61/59/98/588615998.db2.gz ULJGZBOYKDHAGY-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000851727552 588618382 /nfs/dbraw/zinc/61/83/82/588618382.db2.gz QSPOBHHAEIDJPG-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)c1ccccn1)C(C)C ZINC000851731029 588619347 /nfs/dbraw/zinc/61/93/47/588619347.db2.gz JFIKPJGYDSDOMR-CYBMUJFWSA-N 1 0 220.316 2.011 20 30 BEEDRO C#CCOCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000851731108 588619448 /nfs/dbraw/zinc/61/94/48/588619448.db2.gz WXRPCDFYERMQAH-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO C#CC[N@@H+](CCOC(F)F)C1CCCCC1 ZINC000851738039 588620838 /nfs/dbraw/zinc/62/08/38/588620838.db2.gz UZMABNLWCXWRNW-UHFFFAOYSA-N 1 0 231.286 2.494 20 30 BEEDRO C=CC1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851771155 588625595 /nfs/dbraw/zinc/62/55/95/588625595.db2.gz YWLBWIQRNBXWES-ZDUSSCGKSA-N 1 0 239.359 2.426 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](C(C)C)CC1 ZINC000851772359 588626090 /nfs/dbraw/zinc/62/60/90/588626090.db2.gz FQDVLRXSYUFKQT-CQSZACIVSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[NH2+][C@](C)(CC)c1nccs1 ZINC000851847711 588634869 /nfs/dbraw/zinc/63/48/69/588634869.db2.gz HRNLQAAYZMUPAP-GFCCVEGCSA-N 1 0 238.356 2.008 20 30 BEEDRO C#CCOCC[N@@H+]([C@H](C)c1ccco1)C1CC1 ZINC000851855107 588635535 /nfs/dbraw/zinc/63/55/35/588635535.db2.gz ZYKJWLLRDDTKTM-GFCCVEGCSA-N 1 0 233.311 2.455 20 30 BEEDRO C#CC[C@@H]([NH2+]CCC(OC)OC)c1ccccc1 ZINC000851902905 588642087 /nfs/dbraw/zinc/64/20/87/588642087.db2.gz UNMGFZVUVPTCBF-CQSZACIVSA-N 1 0 247.338 2.350 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000851918927 588643569 /nfs/dbraw/zinc/64/35/69/588643569.db2.gz GBNLVJSRXMFGDW-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC)c1nc(C)cs1 ZINC000851925334 588644563 /nfs/dbraw/zinc/64/45/63/588644563.db2.gz WKSXOJNSHQOVRK-LLVKDONJSA-N 1 0 238.356 2.142 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000851936798 588645735 /nfs/dbraw/zinc/64/57/35/588645735.db2.gz XCKGALDJNOWBMV-GFCCVEGCSA-N 1 0 209.333 2.004 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCO1 ZINC000851950324 588646961 /nfs/dbraw/zinc/64/69/61/588646961.db2.gz NPIQQAOEGWTTMR-FPCVCCKLSA-N 1 0 241.334 2.313 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cc(C)ccc2C1 ZINC000851978814 588651112 /nfs/dbraw/zinc/65/11/12/588651112.db2.gz QAIKGVQYOXILED-UHFFFAOYSA-N 1 0 229.323 2.003 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000851990137 588652195 /nfs/dbraw/zinc/65/21/95/588652195.db2.gz OKGOMIFWOIWNQK-AAEUAGOBSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000852084256 588660966 /nfs/dbraw/zinc/66/09/66/588660966.db2.gz RRWQNVVXVDESSO-CYBMUJFWSA-N 1 0 214.312 2.284 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(CCC)CCC ZINC000852097028 588661778 /nfs/dbraw/zinc/66/17/78/588661778.db2.gz IRVNFVYVPGIGDM-CQSZACIVSA-N 1 0 238.375 2.027 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCCCn1cccn1 ZINC000852100640 588662806 /nfs/dbraw/zinc/66/28/06/588662806.db2.gz YXAZQDYRFSMQSD-CQSZACIVSA-N 1 0 233.359 2.445 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1ccccc1C ZINC000852101723 588663012 /nfs/dbraw/zinc/66/30/12/588663012.db2.gz HOVLZNYZYOVNTN-HUUCEWRRSA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1ccccc1C ZINC000852101724 588663019 /nfs/dbraw/zinc/66/30/19/588663019.db2.gz HOVLZNYZYOVNTN-LSDHHAIUSA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCc1ccncc1 ZINC000852101147 588663062 /nfs/dbraw/zinc/66/30/62/588663062.db2.gz MWVXRPBXEMFWAH-CQSZACIVSA-N 1 0 216.328 2.406 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(F)n1 ZINC000852103322 588663325 /nfs/dbraw/zinc/66/33/25/588663325.db2.gz DKKXIFPFNCXQSP-LBPRGKRZSA-N 1 0 206.264 2.112 20 30 BEEDRO C=C(Cl)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852108891 588664270 /nfs/dbraw/zinc/66/42/70/588664270.db2.gz PEJBSRWSIUYKDR-GFCCVEGCSA-N 1 0 228.767 2.157 20 30 BEEDRO C#CCOCCN1CC2(CCC2)[C@H]1c1ccco1 ZINC000852143584 588666910 /nfs/dbraw/zinc/66/69/10/588666910.db2.gz PGHMOZBKDIQBJG-CQSZACIVSA-N 1 0 245.322 2.456 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000852149474 588667614 /nfs/dbraw/zinc/66/76/14/588667614.db2.gz IRTBFXKNEBWNSS-IHRRRGAJSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000852184447 588670447 /nfs/dbraw/zinc/67/04/47/588670447.db2.gz LJYDYXNBPIOWBA-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000852185185 588670623 /nfs/dbraw/zinc/67/06/23/588670623.db2.gz VPPIEXYXWBIZLS-LLVKDONJSA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000852206047 588671672 /nfs/dbraw/zinc/67/16/72/588671672.db2.gz XKOAGBMUZAEFTJ-UHFFFAOYSA-N 1 0 238.334 2.446 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000852206500 588671829 /nfs/dbraw/zinc/67/18/29/588671829.db2.gz KXNPOTAARCCUBW-HZSPNIEDSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C1CC1 ZINC000852302445 588677608 /nfs/dbraw/zinc/67/76/08/588677608.db2.gz BJWJWAIHTAEMAS-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO CCOC(C[N@@H+]1CCC[C@H](CC#N)C1)OCC ZINC000852319427 588678067 /nfs/dbraw/zinc/67/80/67/588678067.db2.gz MJWQMRYXQGLLHK-GFCCVEGCSA-N 1 0 240.347 2.011 20 30 BEEDRO C=CCN(Cc1cnoc1C)[C@@H](C)COC ZINC000852356630 588679721 /nfs/dbraw/zinc/67/97/21/588679721.db2.gz KEFKZFBOHZPLPF-JTQLQIEISA-N 1 0 224.304 2.006 20 30 BEEDRO C=CC[N@H+](C/C=C/Cl)[C@@H](C)COC ZINC000852357602 588679816 /nfs/dbraw/zinc/67/98/16/588679816.db2.gz DYMLTDKDRYDLKC-PORFMDCZSA-N 1 0 203.713 2.262 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)c1ccccc1)[C@H](C)COC ZINC000852357234 588679921 /nfs/dbraw/zinc/67/99/21/588679921.db2.gz YIOUQDXVNVVCIK-UKRRQHHQSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000852408825 588680866 /nfs/dbraw/zinc/68/08/66/588680866.db2.gz BHPCWMYQQVMEQY-ZFWWWQNUSA-N 1 0 246.354 2.403 20 30 BEEDRO C#CCCC[N@H+]1CC2(CCC2)OC[C@H]1C ZINC000852443691 588682820 /nfs/dbraw/zinc/68/28/20/588682820.db2.gz LTZMDKNVPGSFJX-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852537021 588688988 /nfs/dbraw/zinc/68/89/88/588688988.db2.gz NMJDFBUQKYWNLK-QWHCGFSZSA-N 1 0 211.349 2.414 20 30 BEEDRO C=CCN(CC(=O)OCC(C)C)C(C)(C)C ZINC000852554368 588689523 /nfs/dbraw/zinc/68/95/23/588689523.db2.gz KMPMIEGPVJKYGJ-UHFFFAOYSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CN(CC)C(=O)O1)C(C)(C)C ZINC000852554595 588689625 /nfs/dbraw/zinc/68/96/25/588689625.db2.gz SCOIJCWQLUUTRP-LLVKDONJSA-N 1 0 240.347 2.114 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000852651175 588694100 /nfs/dbraw/zinc/69/41/00/588694100.db2.gz IZOJKBFZVYNPQQ-ZSVAQUKISA-N 1 0 242.338 2.421 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000852672484 588695114 /nfs/dbraw/zinc/69/51/14/588695114.db2.gz DFNVZLRWOHVPBG-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C[C@@]1(C#N)CCN(CCOc2cccc(F)c2)C1 ZINC000852685429 588695853 /nfs/dbraw/zinc/69/58/53/588695853.db2.gz VONLMUZGDYMJDE-AWEZNQCLSA-N 1 0 248.301 2.440 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1CCCC1 ZINC000852686691 588696021 /nfs/dbraw/zinc/69/60/21/588696021.db2.gz ZPFYHZMCQWVESL-OKILXGFUSA-N 1 0 220.360 2.265 20 30 BEEDRO CCCCCCCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000110795213 588696179 /nfs/dbraw/zinc/69/61/79/588696179.db2.gz NNLSDEMYBSLIFZ-ZDUSSCGKSA-N 1 0 240.391 2.463 20 30 BEEDRO C=C[C@H](CO)NCc1ccc(Cl)nc1Cl ZINC000852714437 588697543 /nfs/dbraw/zinc/69/75/43/588697543.db2.gz PMFBBGYCDSLSQG-MRVPVSSYSA-N 1 0 247.125 2.025 20 30 BEEDRO C[N@H+](CCCF)CCc1ccc(C#N)cc1 ZINC000852745934 588698819 /nfs/dbraw/zinc/69/88/19/588698819.db2.gz AZUBHLLGTOEJAV-UHFFFAOYSA-N 1 0 220.291 2.392 20 30 BEEDRO C=C(Cl)CNc1ccc(OCC[NH3+])cc1 ZINC000852747204 588699490 /nfs/dbraw/zinc/69/94/90/588699490.db2.gz ZKGSAJPWDMYSQM-UHFFFAOYSA-N 1 0 226.707 2.189 20 30 BEEDRO C=CCC1(NC(=O)C=C2CC[NH2+]CC2)CCCC1 ZINC000852909836 588712935 /nfs/dbraw/zinc/71/29/35/588712935.db2.gz BKTJBFISHDNLHJ-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO CCCCCCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000861644355 589172781 /nfs/dbraw/zinc/17/27/81/589172781.db2.gz DBESJWGPXICAOZ-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000861655521 589173135 /nfs/dbraw/zinc/17/31/35/589173135.db2.gz RIIDXBYMEYKZRD-RYUDHWBXSA-N 1 0 241.379 2.088 20 30 BEEDRO CCCCCCCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000861655213 589173140 /nfs/dbraw/zinc/17/31/40/589173140.db2.gz HMMBJKWUIUIBEO-LBPRGKRZSA-N 1 0 241.379 2.090 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnc(F)c1C)C(C)C ZINC000862362771 589202125 /nfs/dbraw/zinc/20/21/25/589202125.db2.gz FUQZHBJFTFIQOL-LBPRGKRZSA-N 1 0 220.291 2.277 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000862369222 589205197 /nfs/dbraw/zinc/20/51/97/589205197.db2.gz ROQDPUNFMGWTSO-CHWSQXEVSA-N 1 0 236.403 2.497 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC000862395303 589208486 /nfs/dbraw/zinc/20/84/86/589208486.db2.gz ZQSFXSAFYUMFGC-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000862442302 589213289 /nfs/dbraw/zinc/21/32/89/589213289.db2.gz BKJNITZHCAJZBK-LBPRGKRZSA-N 1 0 243.306 2.261 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000862442953 589213525 /nfs/dbraw/zinc/21/35/25/589213525.db2.gz JDKSGYSFDFLMRM-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2csc(C)n2)C1 ZINC000862442788 589213550 /nfs/dbraw/zinc/21/35/50/589213550.db2.gz HUYBBDFCWMBTOD-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000862444895 589214614 /nfs/dbraw/zinc/21/46/14/589214614.db2.gz IDUBCSHZNKTMIH-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ncc(C)s2)C1 ZINC000862447051 589214912 /nfs/dbraw/zinc/21/49/12/589214912.db2.gz HNKLZGQNEWHHEQ-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000862447920 589215428 /nfs/dbraw/zinc/21/54/28/589215428.db2.gz SJKDLGBNDBWASN-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCC[C@H]1C ZINC000862547362 589219921 /nfs/dbraw/zinc/21/99/21/589219921.db2.gz CWXGELVCMMTECX-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CCC=C ZINC000862547329 589219936 /nfs/dbraw/zinc/21/99/36/589219936.db2.gz BOIGQZCUKCMRDD-CHWSQXEVSA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CCC=C ZINC000862547330 589220013 /nfs/dbraw/zinc/22/00/13/589220013.db2.gz BOIGQZCUKCMRDD-OLZOCXBDSA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1Cc2ccccc2C1 ZINC000862547541 589220142 /nfs/dbraw/zinc/22/01/42/589220142.db2.gz IXGYLTDPUGGTDO-OAHLLOKOSA-N 1 0 243.350 2.172 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000862547701 589220197 /nfs/dbraw/zinc/22/01/97/589220197.db2.gz MLFPKGSVKDOPJB-MJBXVCDLSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CSCCF ZINC000862548442 589220391 /nfs/dbraw/zinc/22/03/91/589220391.db2.gz GFOOMYRNRYOIMC-RYUDHWBXSA-N 1 0 247.379 2.096 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000862548621 589220402 /nfs/dbraw/zinc/22/04/02/589220402.db2.gz JLKRYTJMPXMCHO-HOCLYGCPSA-N 1 0 245.366 2.493 20 30 BEEDRO CCc1ccc(C(CC(C)C)=NNC(N)=[NH2+])cc1 ZINC000863079468 589254690 /nfs/dbraw/zinc/25/46/90/589254690.db2.gz NWOGVSCVAJZJKT-UHFFFAOYSA-N 1 0 246.358 2.482 20 30 BEEDRO CCON=Cc1ccc(F)c(F)c1N(C)C ZINC000863077348 589254786 /nfs/dbraw/zinc/25/47/86/589254786.db2.gz OXENZOBVNBAHDW-UHFFFAOYSA-N 1 0 228.242 2.401 20 30 BEEDRO CCc1nc(C=NNc2cc[nH+]c(C)c2)cs1 ZINC000863159119 589264052 /nfs/dbraw/zinc/26/40/52/589264052.db2.gz DSDNCAMMOZOMLU-UHFFFAOYSA-N 1 0 246.339 2.277 20 30 BEEDRO C=C(CC)CON=C(N)C1(OC)CCCC1 ZINC000863478832 589292170 /nfs/dbraw/zinc/29/21/70/589292170.db2.gz XIHRXVGVULGUBQ-UHFFFAOYSA-N 1 0 226.320 2.410 20 30 BEEDRO C=C(Cl)CON=C(N)C1(OC)CCCC1 ZINC000863477695 589292274 /nfs/dbraw/zinc/29/22/74/589292274.db2.gz TTZSKFLAIFREPN-UHFFFAOYSA-N 1 0 232.711 2.197 20 30 BEEDRO CCCCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863550167 589298625 /nfs/dbraw/zinc/29/86/25/589298625.db2.gz ZXROITVOTYGLJF-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO CC(C)C1CCC(CNC(=[NH2+])N(C)C)CC1 ZINC000119591676 589310426 /nfs/dbraw/zinc/31/04/26/589310426.db2.gz FWRIHQYBVYECRB-UHFFFAOYSA-N 1 0 225.380 2.325 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CC[C@@H](CC)C1)C(C)(C)C ZINC000864469859 589372990 /nfs/dbraw/zinc/37/29/90/589372990.db2.gz XNMLFXOYNQPJOO-VXGBXAGGSA-N 1 0 235.375 2.291 20 30 BEEDRO CCN[NH+]=Cc1ccc(N(CC)CC)cc1 ZINC000864898036 589400231 /nfs/dbraw/zinc/40/02/31/589400231.db2.gz LHLANSJAQRCDKH-UHFFFAOYSA-N 1 0 219.332 2.476 20 30 BEEDRO C=CC[NH2+]Cc1cc(F)ccc1N(C)C ZINC000865401538 589433173 /nfs/dbraw/zinc/43/31/73/589433173.db2.gz XVZWKLYGAUJJFT-UHFFFAOYSA-N 1 0 208.280 2.167 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000865469731 589438684 /nfs/dbraw/zinc/43/86/84/589438684.db2.gz UKWLLBJZMNUXEJ-SNVBAGLBSA-N 1 0 205.305 2.272 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865553746 589445901 /nfs/dbraw/zinc/44/59/01/589445901.db2.gz JOVDLRHFTBTTNA-ZDUSSCGKSA-N 1 0 244.342 2.413 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@H]1CC12CC2 ZINC000865609429 589450842 /nfs/dbraw/zinc/45/08/42/589450842.db2.gz LSOJNVZXNJUCEE-AWEZNQCLSA-N 1 0 241.338 2.266 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CCC)CCO)cc1 ZINC000865662557 589454997 /nfs/dbraw/zinc/45/49/97/589454997.db2.gz BISXHXSVLPXZSJ-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cc[nH]c1)C2 ZINC000865848046 589464667 /nfs/dbraw/zinc/46/46/67/589464667.db2.gz KJGAFRDGZBNURT-OAHLLOKOSA-N 1 0 237.306 2.143 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccccn1)C2 ZINC000865848482 589465061 /nfs/dbraw/zinc/46/50/61/589465061.db2.gz OCMQGJPGEGEUHU-INIZCTEOSA-N 1 0 249.317 2.210 20 30 BEEDRO C#CC1CCN(c2cc(NCCC)ncn2)CC1 ZINC000865900293 589467625 /nfs/dbraw/zinc/46/76/25/589467625.db2.gz JBMYUXPBYWDSBA-UHFFFAOYSA-N 1 0 244.342 2.148 20 30 BEEDRO C#CCCC[NH2+][C@@H]1c2ccccc2OC[C@H]1F ZINC000866274087 589483824 /nfs/dbraw/zinc/48/38/24/589483824.db2.gz GKALFGVDTRWXIR-TZMCWYRMSA-N 1 0 233.286 2.461 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCc1cccnc1 ZINC000866368057 589488456 /nfs/dbraw/zinc/48/84/56/589488456.db2.gz VHBGTWWKEDSXQR-YUELXQCFSA-N 1 0 246.354 2.336 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CCc1cccnc1 ZINC000866368322 589488637 /nfs/dbraw/zinc/48/86/37/589488637.db2.gz ABAAFLRXGHQYMI-DZGCQCFKSA-N 1 0 248.370 2.319 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2c(F)cccc21 ZINC000866392043 589489692 /nfs/dbraw/zinc/48/96/92/589489692.db2.gz VPKUYSHVVPVVBT-YGRLFVJLSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC000866392042 589489900 /nfs/dbraw/zinc/48/99/00/589489900.db2.gz VPKUYSHVVPVVBT-QMTHXVAHSA-N 1 0 235.302 2.340 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000866488040 589496814 /nfs/dbraw/zinc/49/68/14/589496814.db2.gz IVKSIIAFHSZIAO-NAKRPEOUSA-N 1 0 210.346 2.162 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000866498077 589497408 /nfs/dbraw/zinc/49/74/08/589497408.db2.gz UFJUYCLWJHATET-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000866612830 589504679 /nfs/dbraw/zinc/50/46/79/589504679.db2.gz BZJRRXWXUXSHJP-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO CC[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866614527 589504927 /nfs/dbraw/zinc/50/49/27/589504927.db2.gz KEVLFZOJKYOXDZ-HZMBPMFUSA-N 1 0 214.312 2.414 20 30 BEEDRO C=CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868178650 589551168 /nfs/dbraw/zinc/55/11/68/589551168.db2.gz SQDXBKAEXSVXLB-QWHCGFSZSA-N 1 0 245.326 2.199 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870548645 589673520 /nfs/dbraw/zinc/67/35/20/589673520.db2.gz SENFLSGTICRWQV-JTQLQIEISA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)C(C)(C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870548121 589673621 /nfs/dbraw/zinc/67/36/21/589673621.db2.gz MSBKOOPLSPNZCD-LLVKDONJSA-N 1 0 227.348 2.472 20 30 BEEDRO CC[C@H](C[NH+](C)C)OC(=O)CCCCCC#N ZINC000870548529 589673880 /nfs/dbraw/zinc/67/38/80/589673880.db2.gz RPAMEPBAPPHRLM-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO CC[C@@H](C[NH+](C)C)OC(=O)c1cccc(C#N)c1 ZINC000870552122 589674692 /nfs/dbraw/zinc/67/46/92/589674692.db2.gz NYTXDOOHBUEXGG-ZDUSSCGKSA-N 1 0 246.310 2.055 20 30 BEEDRO CC[C@@H](C[NH+](C)C)OC(=O)c1ccc(C#N)cc1 ZINC000870552130 589674771 /nfs/dbraw/zinc/67/47/71/589674771.db2.gz OIRIZAJPECOTQV-ZDUSSCGKSA-N 1 0 246.310 2.055 20 30 BEEDRO CC(C)OC1(C[NH2+]C[C@@H](C#N)CCC#N)CCC1 ZINC000871932999 589834088 /nfs/dbraw/zinc/83/40/88/589834088.db2.gz DCXXKRZZBYFGHL-CYBMUJFWSA-N 1 0 249.358 2.367 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872076591 589865278 /nfs/dbraw/zinc/86/52/78/589865278.db2.gz NPMCVQIQUXNIMX-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO COCC(C)(C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000872104355 589872064 /nfs/dbraw/zinc/87/20/64/589872064.db2.gz BOJRENBEEHWWGC-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000872107496 589873383 /nfs/dbraw/zinc/87/33/83/589873383.db2.gz YVTUMKDVPLXAPA-SRVKXCTJSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872125699 589876130 /nfs/dbraw/zinc/87/61/30/589876130.db2.gz BFGHCARZALVOGR-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000872139534 589880146 /nfs/dbraw/zinc/88/01/46/589880146.db2.gz LFVJRAYSGJQUKQ-IJLUTSLNSA-N 1 0 245.326 2.025 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H](CC)C2)CC1 ZINC000872139048 589880523 /nfs/dbraw/zinc/88/05/23/589880523.db2.gz DMCJNKJXSYANDG-XUXIUFHCSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2CC(OCC)C2)CC1 ZINC000872140289 589880944 /nfs/dbraw/zinc/88/09/44/589880944.db2.gz IOVCYHZHGIEXAV-HXZBBRIXSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000872140093 589881340 /nfs/dbraw/zinc/88/13/40/589881340.db2.gz WUOLNKTXEGRFHL-MGPQQGTHSA-N 1 0 243.354 2.500 20 30 BEEDRO N#CCC[NH2+]CCSCCC(F)(F)F ZINC000872230961 589897857 /nfs/dbraw/zinc/89/78/57/589897857.db2.gz AYIVNWCELQRPKP-UHFFFAOYSA-N 1 0 226.267 2.175 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872273444 589903712 /nfs/dbraw/zinc/90/37/12/589903712.db2.gz RGFWKCIEZSDILZ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872276827 589904215 /nfs/dbraw/zinc/90/42/15/589904215.db2.gz MMQZCMMVRNHVAW-ZDUSSCGKSA-N 1 0 207.317 2.043 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000872354134 589916750 /nfs/dbraw/zinc/91/67/50/589916750.db2.gz WSSBDHNHVHVULQ-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO C[C@@H]1C(N=Nc2c(F)cccc2F)CC[N@@H+]1C ZINC000872353174 589917020 /nfs/dbraw/zinc/91/70/20/589917020.db2.gz XROMETZNCVRPDJ-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO C1CC(ON=C2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000872376603 589925759 /nfs/dbraw/zinc/92/57/59/589925759.db2.gz OAKCKENVSYRMTH-GFCCVEGCSA-N 1 0 240.372 2.123 20 30 BEEDRO CC[C@@H](C)CON=CC1CC[NH+](C)CC1 ZINC000872376071 589925793 /nfs/dbraw/zinc/92/57/93/589925793.db2.gz AHVIDHYSZWIVOI-LLVKDONJSA-N 1 0 212.337 2.377 20 30 BEEDRO C[NH+](C)C1(C)CCC(=NNC23CC(C2)C3)CC1 ZINC000872383350 589928834 /nfs/dbraw/zinc/92/88/34/589928834.db2.gz CKDSJJFAAUAURX-UHFFFAOYSA-N 1 0 235.375 2.379 20 30 BEEDRO C[C@@H]1CCCCN1N=CC1CC[NH+](C)CC1 ZINC000872388394 589931036 /nfs/dbraw/zinc/93/10/36/589931036.db2.gz HONAEONLZMWVOD-GFCCVEGCSA-N 1 0 223.364 2.188 20 30 BEEDRO c1ccc2c(c1)NCCCC2=[NH+]N1CCC1 ZINC000872396672 589933234 /nfs/dbraw/zinc/93/32/34/589933234.db2.gz CHDCBSOSEGXBDA-UHFFFAOYSA-N 1 0 215.300 2.302 20 30 BEEDRO C[NH2+]C1(CNc2ccc(C#N)cn2)CCCCC1 ZINC000872629452 589957581 /nfs/dbraw/zinc/95/75/81/589957581.db2.gz HDOMTZWRJWWGOB-UHFFFAOYSA-N 1 0 244.342 2.287 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(F)c1C#N ZINC000873058538 589981221 /nfs/dbraw/zinc/98/12/21/589981221.db2.gz QEBCQYCNCJJVGZ-UHFFFAOYSA-N 1 0 248.326 2.153 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCCF ZINC000124432490 589990919 /nfs/dbraw/zinc/99/09/19/589990919.db2.gz FUPVBEMADJMTCT-UHFFFAOYSA-N 1 0 221.275 2.148 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnn(C=C)c2)CC1 ZINC000873197845 589991913 /nfs/dbraw/zinc/99/19/13/589991913.db2.gz FSEWMEFMMCYXGJ-MQMHXKEQSA-N 1 0 229.327 2.265 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(C)no2)CC1 ZINC000873197855 589992155 /nfs/dbraw/zinc/99/21/55/589992155.db2.gz GKUJCEXFFUNNRQ-HAQNSBGRSA-N 1 0 218.300 2.265 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC000873198366 589992190 /nfs/dbraw/zinc/99/21/90/589992190.db2.gz GSPRSNXUYQVFGE-MGPQQGTHSA-N 1 0 221.344 2.195 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc[nH]c2)CC1 ZINC000873198739 589993190 /nfs/dbraw/zinc/99/31/90/589993190.db2.gz YWFJZTOOQMSOLS-AULYBMBSSA-N 1 0 202.301 2.296 20 30 BEEDRO C=CCCCCC[N@@H+](C)Cc1cnc(N)cn1 ZINC000873205614 589994305 /nfs/dbraw/zinc/99/43/05/589994305.db2.gz PTRFCZSAMDQUKR-UHFFFAOYSA-N 1 0 234.347 2.237 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@@H]1[NH3+] ZINC000873279603 590017871 /nfs/dbraw/zinc/01/78/71/590017871.db2.gz JLFITTDJJKPGQH-NWDGAFQWSA-N 1 0 210.365 2.448 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000873299249 590024640 /nfs/dbraw/zinc/02/46/40/590024640.db2.gz QFRFOIICEGNKIL-NSHDSACASA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874839121 590145054 /nfs/dbraw/zinc/14/50/54/590145054.db2.gz TUPLLMMJFPDBGI-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874839120 590145385 /nfs/dbraw/zinc/14/53/85/590145385.db2.gz TUPLLMMJFPDBGI-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[NH2+]Cc1c(C)nn(C)c1Cl ZINC000125215551 590156421 /nfs/dbraw/zinc/15/64/21/590156421.db2.gz NWDURKLHWLADRG-UHFFFAOYSA-N 1 0 213.712 2.048 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000876543385 590212616 /nfs/dbraw/zinc/21/26/16/590212616.db2.gz BZGNBNDQKHBKGA-NSHDSACASA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCCC ZINC000876546811 590213943 /nfs/dbraw/zinc/21/39/43/590213943.db2.gz WYSIFPBIBSHFBH-JTQLQIEISA-N 1 0 232.755 2.153 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CCCC ZINC000876550249 590214543 /nfs/dbraw/zinc/21/45/43/590214543.db2.gz UVAFDERRIXGHOK-JTQLQIEISA-N 1 0 232.755 2.105 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC(=O)NC(C)C ZINC000876549214 590214659 /nfs/dbraw/zinc/21/46/59/590214659.db2.gz KMLLPZGQKIXTPW-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCO[C@H](C)C1 ZINC000876555687 590215374 /nfs/dbraw/zinc/21/53/74/590215374.db2.gz CZHZENZCJIGCSA-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCCC[N@H+](CC(N)=O)CC(C)C ZINC000876599187 590220482 /nfs/dbraw/zinc/22/04/82/590220482.db2.gz WQPOFCFAWWVKEX-UHFFFAOYSA-N 1 0 238.375 2.013 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CCCC)C1CC1 ZINC000876602169 590221035 /nfs/dbraw/zinc/22/10/35/590221035.db2.gz YHNMHNGYBLNABZ-NSHDSACASA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000876605230 590221231 /nfs/dbraw/zinc/22/12/31/590221231.db2.gz SMXFIBBJAKZXPJ-SNVBAGLBSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC)CCC ZINC000876628124 590223340 /nfs/dbraw/zinc/22/33/40/590223340.db2.gz GEADRIAHFJVXFY-VHSXEESVSA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000876669988 590228633 /nfs/dbraw/zinc/22/86/33/590228633.db2.gz CWNLXHXFPKLNTM-GDPRMGEGSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(C(C)C)CC1 ZINC000876678896 590229307 /nfs/dbraw/zinc/22/93/07/590229307.db2.gz SEYKZESVQJYAKY-SNVBAGLBSA-N 1 0 244.766 2.009 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000876815040 590245762 /nfs/dbraw/zinc/24/57/62/590245762.db2.gz MUCJTGKUUIYNSV-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCC1CC1 ZINC000876897818 590254740 /nfs/dbraw/zinc/25/47/40/590254740.db2.gz GHQJSDGTEWMHIV-ONGXEEELSA-N 1 0 244.766 2.151 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](O)c1ccco1 ZINC000876917801 590256924 /nfs/dbraw/zinc/25/69/24/590256924.db2.gz WUQZTIPFIBYYAY-ZDUSSCGKSA-N 1 0 235.327 2.486 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)Cn1cccn1 ZINC000876927120 590257716 /nfs/dbraw/zinc/25/77/16/590257716.db2.gz RKCYJOZPJJNSKL-CQSZACIVSA-N 1 0 233.359 2.445 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876930858 590258098 /nfs/dbraw/zinc/25/80/98/590258098.db2.gz FAMJRGMMWQJIDA-WPRPVWTQSA-N 1 0 235.718 2.352 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000876959763 590261637 /nfs/dbraw/zinc/26/16/37/590261637.db2.gz XGNOMELNUGIIFC-FBIMIBRVSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC000876973415 590263075 /nfs/dbraw/zinc/26/30/75/590263075.db2.gz FXAMRZQGWDKTBI-GHMZBOCLSA-N 1 0 244.766 2.007 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C(C)(C)O ZINC000876996446 590266950 /nfs/dbraw/zinc/26/69/50/590266950.db2.gz UEQIPJSQOXHPBX-LBPRGKRZSA-N 1 0 211.349 2.319 20 30 BEEDRO CCc1cc(C[NH2+]C[C@H](C)CCC#N)[nH]n1 ZINC000877033726 590272222 /nfs/dbraw/zinc/27/22/22/590272222.db2.gz KYQWVHNNUOZUJL-SNVBAGLBSA-N 1 0 220.320 2.002 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C2CC2)no1 ZINC000877047949 590274475 /nfs/dbraw/zinc/27/44/75/590274475.db2.gz FUAHUUSABHQHPL-UHFFFAOYSA-N 1 0 236.340 2.008 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000877053489 590275149 /nfs/dbraw/zinc/27/51/49/590275149.db2.gz PBANLJCIASTAHT-CQSZACIVSA-N 1 0 245.370 2.440 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@](C)(O)CSC ZINC000877057119 590275703 /nfs/dbraw/zinc/27/57/03/590275703.db2.gz UTNYBHOXPIJKIV-ZDUSSCGKSA-N 1 0 243.416 2.274 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](C)CCO ZINC000877068086 590277322 /nfs/dbraw/zinc/27/73/22/590277322.db2.gz QGSDCHORTPENQH-ZDUSSCGKSA-N 1 0 211.349 2.178 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CSCCS1 ZINC000877084012 590280439 /nfs/dbraw/zinc/28/04/39/590280439.db2.gz DDKRGNLWAKVSFN-MNOVXSKESA-N 1 0 244.429 2.364 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@H](O)CC ZINC000877111968 590287567 /nfs/dbraw/zinc/28/75/67/590287567.db2.gz PKLKZOFYNALQBC-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877125083 590289466 /nfs/dbraw/zinc/28/94/66/590289466.db2.gz XDSNOFVWDMKGQN-VIFPVBQESA-N 1 0 238.158 2.363 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc(C)ncn1 ZINC000877124259 590289555 /nfs/dbraw/zinc/28/95/55/590289555.db2.gz LYRQUPMUIGLJKE-UHFFFAOYSA-N 1 0 231.343 2.458 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1ccn(C)n1 ZINC000877125270 590289838 /nfs/dbraw/zinc/28/98/38/590289838.db2.gz JJIHTBLQUWVJIR-UHFFFAOYSA-N 1 0 219.332 2.093 20 30 BEEDRO C#CCCCCCC[NH2+]C(C)(C)[C@@H](C)O ZINC000877126816 590290186 /nfs/dbraw/zinc/29/01/86/590290186.db2.gz TYQDZTRJSKKYNJ-GFCCVEGCSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CCCCCCC[NH2+][C@](C)(CC)CO ZINC000877143123 590291432 /nfs/dbraw/zinc/29/14/32/590291432.db2.gz FDEFTVTYFITMLV-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@](C)(CC)C1CC1 ZINC000877146403 590292020 /nfs/dbraw/zinc/29/20/20/590292020.db2.gz SELHAGGWVWMKJY-CMPLNLGQSA-N 1 0 244.766 2.151 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC[C@H]1C ZINC000877154742 590293102 /nfs/dbraw/zinc/29/31/02/590293102.db2.gz YQEKFYMCZQCQPF-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO Cc1cccc(NCC[NH2+]C[C@@H](C)CCC#N)n1 ZINC000877157998 590294175 /nfs/dbraw/zinc/29/41/75/590294175.db2.gz NPZKKHQISZWQKT-LBPRGKRZSA-N 1 0 246.358 2.331 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C[C@H](C)O ZINC000877196326 590299490 /nfs/dbraw/zinc/29/94/90/590299490.db2.gz XPKBBRGRQOAQAT-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877279357 590306399 /nfs/dbraw/zinc/30/63/99/590306399.db2.gz QTIKWTGLEULUGV-KBPBESRZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC[NH2+]C(C)C ZINC000877303079 590307762 /nfs/dbraw/zinc/30/77/62/590307762.db2.gz AHZYEAXWJJAZGS-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](C)[NH2+]CCC ZINC000877303158 590309829 /nfs/dbraw/zinc/30/98/29/590309829.db2.gz BTUYQRXHKDTWRK-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000877303103 590310326 /nfs/dbraw/zinc/31/03/26/590310326.db2.gz AXTZVXHIRHCLSI-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CCC[NH2+]C ZINC000877304184 590310448 /nfs/dbraw/zinc/31/04/48/590310448.db2.gz ULCOTLDYFHRHFV-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]([NH3+])C(C)C ZINC000877303975 590310499 /nfs/dbraw/zinc/31/04/99/590310499.db2.gz QFRFOIICEGNKIL-LLVKDONJSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000877303559 590310671 /nfs/dbraw/zinc/31/06/71/590310671.db2.gz KDFXAUGEPWWXAX-SECBINFHSA-N 1 0 248.317 2.078 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000877303775 590310741 /nfs/dbraw/zinc/31/07/41/590310741.db2.gz LZRNDPLJTICVEE-GFCCVEGCSA-N 1 0 236.359 2.143 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC1(C[NH3+])CC1 ZINC000877304303 590311052 /nfs/dbraw/zinc/31/10/52/590311052.db2.gz XNOOMCNYASWLQU-UHFFFAOYSA-N 1 0 238.375 2.224 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CCCC[NH3+] ZINC000877304242 590311113 /nfs/dbraw/zinc/31/11/13/590311113.db2.gz WTONUCWPICFUAC-UHFFFAOYSA-N 1 0 226.364 2.224 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)CC=C ZINC000877338260 590317738 /nfs/dbraw/zinc/31/77/38/590317738.db2.gz ASQLTIHZJJZKRA-CYBMUJFWSA-N 1 0 209.333 2.097 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000877336489 590317816 /nfs/dbraw/zinc/31/78/16/590317816.db2.gz JXUFSDQDKBADJU-XJKSGUPXSA-N 1 0 245.366 2.318 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000877326626 590318179 /nfs/dbraw/zinc/31/81/79/590318179.db2.gz ZWUGDQMQOZQAQQ-BBRMVZONSA-N 1 0 243.416 2.269 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCCC[C@H]1O ZINC000877423419 590325424 /nfs/dbraw/zinc/32/54/24/590325424.db2.gz ZNJNXTIANWHJJA-ZIAGYGMSSA-N 1 0 223.360 2.463 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000877430436 590325783 /nfs/dbraw/zinc/32/57/83/590325783.db2.gz IRKIGSKUVOTONK-STQMWFEESA-N 1 0 223.360 2.319 20 30 BEEDRO CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CCC#N ZINC000877483591 590328059 /nfs/dbraw/zinc/32/80/59/590328059.db2.gz OOYNHGOLDSGNFM-ZUZCIYMTSA-N 1 0 232.264 2.213 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000877460932 590331120 /nfs/dbraw/zinc/33/11/20/590331120.db2.gz YMORIEZNRFXBQN-WXRRBKDZSA-N 1 0 220.316 2.351 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)c1ncnn1C ZINC000877468656 590334290 /nfs/dbraw/zinc/33/42/90/590334290.db2.gz MAWNNMGZCQHRFI-GFCCVEGCSA-N 1 0 234.347 2.049 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000877480406 590337613 /nfs/dbraw/zinc/33/76/13/590337613.db2.gz UWHSMAMQGDPBCN-GJZGRUSLSA-N 1 0 242.366 2.466 20 30 BEEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CCC#N ZINC000877483588 590338136 /nfs/dbraw/zinc/33/81/36/590338136.db2.gz OOYNHGOLDSGNFM-BMIGLBTASA-N 1 0 232.264 2.213 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(OC)cnc1F ZINC000877489057 590338859 /nfs/dbraw/zinc/33/88/59/590338859.db2.gz KMPVDLLQSUEKLU-UHFFFAOYSA-N 1 0 224.279 2.285 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(Cl)nn1 ZINC000877490280 590340000 /nfs/dbraw/zinc/34/00/00/590340000.db2.gz VHTWWZNMJZBJQM-UHFFFAOYSA-N 1 0 211.696 2.186 20 30 BEEDRO C#CCCCCCC[NH2+]CCN1CC=CCC1 ZINC000877491923 590340361 /nfs/dbraw/zinc/34/03/61/590340361.db2.gz YPKFHGHSUPCLDS-UHFFFAOYSA-N 1 0 234.387 2.422 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C(C)C ZINC000877512872 590343404 /nfs/dbraw/zinc/34/34/04/590343404.db2.gz DVTIRABHRPXCMU-UTLUCORTSA-N 1 0 201.260 2.278 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(Cl)c1N ZINC000877513221 590343593 /nfs/dbraw/zinc/34/35/93/590343593.db2.gz OLIRNHTWISZLLX-SNVBAGLBSA-N 1 0 222.719 2.424 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000877513117 590343817 /nfs/dbraw/zinc/34/38/17/590343817.db2.gz LHZOPRGWKKDKAW-FQUUOJAGSA-N 1 0 233.355 2.191 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](Cc1ccccc1)OC)C(C)C ZINC000877512919 590344039 /nfs/dbraw/zinc/34/40/39/590344039.db2.gz GBIGVYCQXUFURF-HZPDHXFCSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)C(C)C ZINC000877513051 590344144 /nfs/dbraw/zinc/34/41/44/590344144.db2.gz KEFIGUWPAZEXGR-DTWKUNHWSA-N 1 0 220.143 2.428 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C#N)CC1)C(C)C ZINC000877513432 590344763 /nfs/dbraw/zinc/34/47/63/590344763.db2.gz WBFUCQPIRJYMSI-BPCQOVAHSA-N 1 0 204.317 2.316 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CCN(C)C ZINC000877523982 590346598 /nfs/dbraw/zinc/34/65/98/590346598.db2.gz OURSLETWBKUBPI-UHFFFAOYSA-N 1 0 210.365 2.064 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(C)(C)SC ZINC000877566075 590361153 /nfs/dbraw/zinc/36/11/53/590361153.db2.gz CUELLTRIGUPOFT-MNOVXSKESA-N 1 0 229.389 2.451 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCO[C@H](CF)C1 ZINC000877587201 590367372 /nfs/dbraw/zinc/36/73/72/590367372.db2.gz HVXPOOQIBJGTPC-CYBMUJFWSA-N 1 0 227.323 2.240 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000877616911 590374758 /nfs/dbraw/zinc/37/47/58/590374758.db2.gz INJYMGMBSMFAOT-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](CCC)OC)C1 ZINC000877617310 590374934 /nfs/dbraw/zinc/37/49/34/590374934.db2.gz NQIHMNPHBCROTG-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO Cc1cccc(O)c1C[NH+]1CC(CC#N)C1 ZINC000877624280 590376702 /nfs/dbraw/zinc/37/67/02/590376702.db2.gz CZSOYBFGRPNEQN-UHFFFAOYSA-N 1 0 216.284 2.046 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000877633720 590379142 /nfs/dbraw/zinc/37/91/42/590379142.db2.gz DUIVHJDGMREPKA-GDNZZTSVSA-N 1 0 247.729 2.495 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC12CCC2)C1CCOCC1 ZINC000877636195 590380524 /nfs/dbraw/zinc/38/05/24/590380524.db2.gz PRDVPOQRWFJWOP-KBPBESRZSA-N 1 0 233.355 2.337 20 30 BEEDRO C#CCC[N@@H+](CCOC)CCC(C)(C)SC ZINC000877641504 590383240 /nfs/dbraw/zinc/38/32/40/590383240.db2.gz 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590541349 /nfs/dbraw/zinc/54/13/49/590541349.db2.gz SGHZDSIICIKTMY-OAHLLOKOSA-N 1 0 249.402 2.342 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(F)F)C2)o1 ZINC000878321300 590545274 /nfs/dbraw/zinc/54/52/74/590545274.db2.gz VBNVGDLNODCZAK-MRVPVSSYSA-N 1 0 226.226 2.238 20 30 BEEDRO C#CCCCCC[N@@H+]1CCOC2(CCC2)C1 ZINC000878330453 590547653 /nfs/dbraw/zinc/54/76/53/590547653.db2.gz GLNKKFAPEVKNOT-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CCCCCC[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000878340417 590550283 /nfs/dbraw/zinc/55/02/83/590550283.db2.gz RTSIZCDZJYOVTD-ZIAGYGMSSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000878431275 590566662 /nfs/dbraw/zinc/56/66/62/590566662.db2.gz IVFHJAPTLNUVHY-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C1CC1 ZINC000878434105 590567221 /nfs/dbraw/zinc/56/72/21/590567221.db2.gz HEHNYWITUPWKDM-FPMFFAJLSA-N 1 0 219.328 2.042 20 30 BEEDRO C#CCCCCC[N@@H+](C)CCN(C)C1CC1 ZINC000878443470 590568519 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C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000127304105 590617112 /nfs/dbraw/zinc/61/71/12/590617112.db2.gz BMLVAZCVULLKCZ-XUJVJEKNSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)CC(C)(C)C ZINC000878760588 590619610 /nfs/dbraw/zinc/61/96/10/590619610.db2.gz BRBGYIMXUDBNKY-OCCSQVGLSA-N 1 0 238.375 2.409 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)CC1 ZINC000878763495 590619962 /nfs/dbraw/zinc/61/99/62/590619962.db2.gz FDCIHRIZOGDKOC-SOUVJXGZSA-N 1 0 233.355 2.289 20 30 BEEDRO C#CC1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878765092 590619977 /nfs/dbraw/zinc/61/99/77/590619977.db2.gz WPWWZXQFKXXGCH-UHFFFAOYSA-N 1 0 235.249 2.258 20 30 BEEDRO CCCCCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878773907 590620972 /nfs/dbraw/zinc/62/09/72/590620972.db2.gz LNIBINOMKULMDF-ZIAGYGMSSA-N 1 0 237.391 2.485 20 30 BEEDRO C#CCN(Cc1ccccc1C#N)C1CSC1 ZINC000878909484 590645476 /nfs/dbraw/zinc/64/54/76/590645476.db2.gz DEASFVQBFIXUGL-UHFFFAOYSA-N 1 0 242.347 2.109 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000878954252 590657367 /nfs/dbraw/zinc/65/73/67/590657367.db2.gz YPCVWBSSMDALLY-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000878988653 590669389 /nfs/dbraw/zinc/66/93/89/590669389.db2.gz BPCGLGYUDCMCNN-SDDRHHMPSA-N 1 0 225.332 2.082 20 30 BEEDRO C=CC[C@H](C)[N@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000879134596 590700551 /nfs/dbraw/zinc/70/05/51/590700551.db2.gz KFCBBACLHGOPFL-GVXVVHGQSA-N 1 0 225.332 2.082 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000879267247 590726026 /nfs/dbraw/zinc/72/60/26/590726026.db2.gz XPVKHGKSKYVZIX-HZSPNIEDSA-N 1 0 221.344 2.195 20 30 BEEDRO C[N@H+](CCCCCCO)[C@@H]1CCC[C@H]1C#N ZINC000879308654 590734302 /nfs/dbraw/zinc/73/43/02/590734302.db2.gz QGDNWENCYOZZEM-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C#CCOc1cccc(Cl)c1C[NH2+]CC ZINC000127648442 590738813 /nfs/dbraw/zinc/73/88/13/590738813.db2.gz AAMNXQJWQHRJEX-UHFFFAOYSA-N 1 0 223.703 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N#Cc1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)o1 ZINC000880496936 591075735 /nfs/dbraw/zinc/07/57/35/591075735.db2.gz FNHDBNJYNGEYFU-KGLIPLIRSA-N 1 0 246.310 2.343 20 30 BEEDRO C#CCC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880553296 591090478 /nfs/dbraw/zinc/09/04/78/591090478.db2.gz FDOFZKHOCVKBIE-HNNXBMFYSA-N 1 0 240.350 2.494 20 30 BEEDRO C#CCC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568786 591098796 /nfs/dbraw/zinc/09/87/96/591098796.db2.gz CQUFLRFTCSLDJL-HNNXBMFYSA-N 1 0 239.322 2.237 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000880664380 591121396 /nfs/dbraw/zinc/12/13/96/591121396.db2.gz FBXKAUVNKMXRKK-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@]1(CNc2ccc(F)cc2C#N)CCC[NH2+]C1 ZINC000129384930 591287480 /nfs/dbraw/zinc/28/74/80/591287480.db2.gz VOPKRHGMCHVKPS-AWEZNQCLSA-N 1 0 247.317 2.499 20 30 BEEDRO C=CC[NH2+]Cc1cccc2c1CCOC2 ZINC000882879061 591460019 /nfs/dbraw/zinc/46/00/19/591460019.db2.gz FPZWGDUAMCAZPI-UHFFFAOYSA-N 1 0 203.285 2.035 20 30 BEEDRO C[NH+]=C(NCC1(C2CC2)CCC1)N1CCCC1 ZINC000130527781 591480119 /nfs/dbraw/zinc/48/01/19/591480119.db2.gz KRZRASPXWYOQRO-UHFFFAOYSA-N 1 0 235.375 2.238 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(=O)NCc1ccccc1 ZINC000130568348 591483545 /nfs/dbraw/zinc/48/35/45/591483545.db2.gz MWQBPEUWMCVAOA-CYBMUJFWSA-N 1 0 246.354 2.247 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883083077 591537324 /nfs/dbraw/zinc/53/73/24/591537324.db2.gz ZFTCBAJKHMZVKD-XJFOESAGSA-N 1 0 223.360 2.339 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000883123587 591543680 /nfs/dbraw/zinc/54/36/80/591543680.db2.gz CXZMKQUVYNVCGK-OLZOCXBDSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000883123641 591543894 /nfs/dbraw/zinc/54/38/94/591543894.db2.gz FYUMYNOEUNNEHU-GFCCVEGCSA-N 1 0 247.269 2.046 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(C(C)C)c1 ZINC000883125712 591544652 /nfs/dbraw/zinc/54/46/52/591544652.db2.gz RORWJJNGIUSNHP-HNNXBMFYSA-N 1 0 231.339 2.284 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccccc1C(C)C ZINC000883125476 591544877 /nfs/dbraw/zinc/54/48/77/591544877.db2.gz KFLNXWIGKBEUFJ-CQSZACIVSA-N 1 0 231.339 2.284 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCOC)[C@H]1CCCO1 ZINC000883164846 591558382 /nfs/dbraw/zinc/55/83/82/591558382.db2.gz PIIDHLTVWCCZHM-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1CC1)[C@@H]1CCCO1 ZINC000883170596 591560072 /nfs/dbraw/zinc/56/00/72/591560072.db2.gz XNIGXAOGUJPGGX-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCC)[C@@H]1CCCO1 ZINC000883173935 591562610 /nfs/dbraw/zinc/56/26/10/591562610.db2.gz XFJCNGIAIQQQGQ-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCC)[C@H]1CCCO1 ZINC000883173932 591562613 /nfs/dbraw/zinc/56/26/13/591562613.db2.gz XFJCNGIAIQQQGQ-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@H](COc1ccccc1)[NH2+][C@@H](C)CO ZINC000883192861 591567784 /nfs/dbraw/zinc/56/77/84/591567784.db2.gz JKTNTXIYPUEPNI-UONOGXRCSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](CC)CCO)[C@H]1CCCO1 ZINC000883192341 591568461 /nfs/dbraw/zinc/56/84/61/591568461.db2.gz XFCCPCBNAXRVEB-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc(C)n[nH]1)[C@H]1CCCO1 ZINC000883190625 591568506 /nfs/dbraw/zinc/56/85/06/591568506.db2.gz IVKVHYGRLHGEDD-UONOGXRCSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CCCO)[C@@H]1CCCO1 ZINC000883197117 591569377 /nfs/dbraw/zinc/56/93/77/591569377.db2.gz CLYINGMYOVAVCS-RDBSUJKOSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCN(C(=O)c1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000131209782 591571192 /nfs/dbraw/zinc/57/11/92/591571192.db2.gz DDBRPUQXXTYCNC-UHFFFAOYSA-N 1 0 242.322 2.080 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883209984 591573848 /nfs/dbraw/zinc/57/38/48/591573848.db2.gz KXFCSGUTIZVGOR-CHWSQXEVSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCCO1 ZINC000883219570 591576619 /nfs/dbraw/zinc/57/66/19/591576619.db2.gz VWNWZTWPYSMMQX-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)[C@@H]1CCCO1 ZINC000883218231 591576746 /nfs/dbraw/zinc/57/67/46/591576746.db2.gz WRIUNJAFFZQDFE-IHRRRGAJSA-N 1 0 233.355 2.480 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000883227018 591578905 /nfs/dbraw/zinc/57/89/05/591578905.db2.gz JTFWUMHPQMBTEX-OLZOCXBDSA-N 1 0 241.375 2.230 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883227435 591579310 /nfs/dbraw/zinc/57/93/10/591579310.db2.gz QQVMQEBXTCLZGY-ITGHMWBKSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)nn1 ZINC000883230506 591579898 /nfs/dbraw/zinc/57/98/98/591579898.db2.gz INJFHKJKXKQITA-GFCCVEGCSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ncccn1)[C@@H]1CCCO1 ZINC000883235436 591582796 /nfs/dbraw/zinc/58/27/96/591582796.db2.gz CBKFLLPNXMDMRV-STQMWFEESA-N 1 0 247.342 2.080 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)OC1 ZINC000883249798 591591414 /nfs/dbraw/zinc/59/14/14/591591414.db2.gz QXFRIIJGHAWIHW-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@]2(C)CC2(C)C)nn1 ZINC000883252593 591592211 /nfs/dbraw/zinc/59/22/11/591592211.db2.gz OTIQSIFGNNVWRF-CQSZACIVSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCN1CC ZINC000883354552 591624811 /nfs/dbraw/zinc/62/48/11/591624811.db2.gz YBJDOCYQQLXJOO-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C#CC1(NCc2cn(C(C)(C)C)nn2)CCCC1 ZINC000883362359 591630539 /nfs/dbraw/zinc/63/05/39/591630539.db2.gz ASKSTIUMKCHYKZ-UHFFFAOYSA-N 1 0 246.358 2.069 20 30 BEEDRO C#CC1(NCc2cn(C3CC3)cn2)CCCC1 ZINC000883361765 591630917 /nfs/dbraw/zinc/63/09/17/591630917.db2.gz LGHKWBFXSUVRSU-UHFFFAOYSA-N 1 0 229.327 2.254 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1nccs1 ZINC000883390754 591636960 /nfs/dbraw/zinc/63/69/60/591636960.db2.gz SYOSBQHHSYABAS-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000883391056 591642424 /nfs/dbraw/zinc/64/24/24/591642424.db2.gz ASZDWVPVLZZWKO-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H]1CCOC ZINC000883391058 591642434 /nfs/dbraw/zinc/64/24/34/591642434.db2.gz ASZDWVPVLZZWKO-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1csc(C)n1 ZINC000883390784 591642448 /nfs/dbraw/zinc/64/24/48/591642448.db2.gz UJDHNAKYQHBKQK-GXSJLCMTSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CCC1CC1 ZINC000883391133 591642718 /nfs/dbraw/zinc/64/27/18/591642718.db2.gz CUXMQAHEAKQOLE-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccoc1 ZINC000883390745 591642945 /nfs/dbraw/zinc/64/29/45/591642945.db2.gz SPGQBMIXFFTDFJ-PWSUYJOCSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000883391349 591643396 /nfs/dbraw/zinc/64/33/96/591643396.db2.gz INFFLQPFFVEEDQ-OLZOCXBDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC12CCC2 ZINC000883391353 591643797 /nfs/dbraw/zinc/64/37/97/591643797.db2.gz IOFLUTGLESIRPS-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000883392625 591644613 /nfs/dbraw/zinc/64/46/13/591644613.db2.gz LHMQNYARCOOMME-STQMWFEESA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000883393170 591644839 /nfs/dbraw/zinc/64/48/39/591644839.db2.gz WYFYTSVALJRVTH-ZZVYKPCYSA-N 1 0 223.360 2.338 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000883392701 591645337 /nfs/dbraw/zinc/64/53/37/591645337.db2.gz MSOKNLMPXVLIBF-MOKVOYLWSA-N 1 0 236.359 2.376 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCSCC1 ZINC000883392497 591645347 /nfs/dbraw/zinc/64/53/47/591645347.db2.gz JCFMEMVSUURUOL-NWDGAFQWSA-N 1 0 229.389 2.189 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccoc1C ZINC000883399893 591646117 /nfs/dbraw/zinc/64/61/17/591646117.db2.gz XWBKSIAXSLEDDI-LBPRGKRZSA-N 1 0 209.289 2.005 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(F)c1F ZINC000883400102 591647014 /nfs/dbraw/zinc/64/70/14/591647014.db2.gz DNMHRODYYSKMRI-NSHDSACASA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(SC)o1 ZINC000883400222 591647673 /nfs/dbraw/zinc/64/76/73/591647673.db2.gz HHMPOIAPHTZIQO-SNVBAGLBSA-N 1 0 241.356 2.418 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1sccc1OC ZINC000883400526 591647838 /nfs/dbraw/zinc/64/78/38/591647838.db2.gz OZWAWPDUTNKZGP-JTQLQIEISA-N 1 0 241.356 2.173 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000883401474 591648364 /nfs/dbraw/zinc/64/83/64/591648364.db2.gz NTWXCYWGLWQVJQ-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(F)cc1 ZINC000883401368 591648488 /nfs/dbraw/zinc/64/84/88/591648488.db2.gz LACFRAGWAYSJPT-ZDUSSCGKSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000883401151 591649110 /nfs/dbraw/zinc/64/91/10/591649110.db2.gz DNMXAYPDTVSSEE-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000132681261 591730719 /nfs/dbraw/zinc/73/07/19/591730719.db2.gz NFXUWTSZBFVIJM-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@@H](OCCCC)C1(C)C ZINC000132682041 591730919 /nfs/dbraw/zinc/73/09/19/591730919.db2.gz IBLHPRLRKXZZNK-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019303 591801333 /nfs/dbraw/zinc/80/13/33/591801333.db2.gz PWBZLNQVINYGCO-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000884040939 591823388 /nfs/dbraw/zinc/82/33/88/591823388.db2.gz HNGVFAGGDWPXAF-LBPRGKRZSA-N 1 0 240.391 2.421 20 30 BEEDRO CC(C)C(N)=[NH+]OCCOc1ccc(F)cc1 ZINC000133669024 591845021 /nfs/dbraw/zinc/84/50/21/591845021.db2.gz GTVMLIFZIDEGSF-UHFFFAOYSA-N 1 0 240.278 2.149 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000884247752 591882932 /nfs/dbraw/zinc/88/29/32/591882932.db2.gz DSFIXKDNGISJLZ-AWEZNQCLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC000884247346 591882957 /nfs/dbraw/zinc/88/29/57/591882957.db2.gz RBXUGDFLKNBZTB-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000884277092 591892196 /nfs/dbraw/zinc/89/21/96/591892196.db2.gz GUMILJGJOUZWKP-LBPRGKRZSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000884430469 591931648 /nfs/dbraw/zinc/93/16/48/591931648.db2.gz QGJBYKUDEODSHQ-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC1(C=NNC2=[NH+][C@H](C)CN2)CCCCC1 ZINC000884448373 591937458 /nfs/dbraw/zinc/93/74/58/591937458.db2.gz ZDKZNLWZHGOUDA-GFCCVEGCSA-N 1 0 248.374 2.436 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1C[C@@]12CCOC2 ZINC000885944807 592112849 /nfs/dbraw/zinc/11/28/49/592112849.db2.gz VENUYNZRXWDLAI-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO CC[N@H+](CC(C)C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885951156 592113585 /nfs/dbraw/zinc/11/35/85/592113585.db2.gz AQQZHGVCWCQRBZ-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)CCC1 ZINC000885985962 592122335 /nfs/dbraw/zinc/12/23/35/592122335.db2.gz VOMNHMRLOQQNMC-ZIAGYGMSSA-N 1 0 248.370 2.306 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@H]1C[C@@]12CCOC2 ZINC000886030330 592136614 /nfs/dbraw/zinc/13/66/14/592136614.db2.gz JIJSTNNMZMUSIW-ZIAGYGMSSA-N 1 0 234.343 2.039 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886118862 592157843 /nfs/dbraw/zinc/15/78/43/592157843.db2.gz RHHRFLSCHNZLAS-TZMCWYRMSA-N 1 0 234.343 2.039 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C1CC1 ZINC000886136673 592161080 /nfs/dbraw/zinc/16/10/80/592161080.db2.gz UAQWKPPUQMNWJB-KBPBESRZSA-N 1 0 219.328 2.042 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC3(CC3)C2)CCC1 ZINC000886140727 592161986 /nfs/dbraw/zinc/16/19/86/592161986.db2.gz OMUFLRRESOKNBL-ZDUSSCGKSA-N 1 0 248.370 2.307 20 30 BEEDRO C#C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCO1 ZINC000886142722 592162864 /nfs/dbraw/zinc/16/28/64/592162864.db2.gz JHLZYSWCZRTYRS-QPSCCSFWSA-N 1 0 233.355 2.193 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCCC23CCC3)CCC1 ZINC000886173737 592169322 /nfs/dbraw/zinc/16/93/22/592169322.db2.gz XXXQFGSSBUODIG-CYBMUJFWSA-N 1 0 248.370 2.450 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@]12CCOC2 ZINC000886177035 592170845 /nfs/dbraw/zinc/17/08/45/592170845.db2.gz SPWSJQJHHSBZNF-BFHYXJOUSA-N 1 0 221.344 2.454 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000886211569 592177771 /nfs/dbraw/zinc/17/77/71/592177771.db2.gz SFRYKUMNYZGOKX-ZIAGYGMSSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000886265446 592189841 /nfs/dbraw/zinc/18/98/41/592189841.db2.gz JDGGQMAXLDGYOR-GJZGRUSLSA-N 1 0 233.355 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886265506 592189854 /nfs/dbraw/zinc/18/98/54/592189854.db2.gz KMMCHSCZKMJBSC-KFWWJZLASA-N 1 0 233.355 2.148 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886271107 592191630 /nfs/dbraw/zinc/19/16/30/592191630.db2.gz XMXRMNSAXXWDJT-VHDGCEQUSA-N 1 0 233.355 2.289 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@@H]3CCCC[C@@H]32)CCC1 ZINC000886271944 592192413 /nfs/dbraw/zinc/19/24/13/592192413.db2.gz BGRVLZFVPWTCNL-IHRRRGAJSA-N 1 0 248.370 2.306 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@](C)(O)C(F)F ZINC000886285479 592200001 /nfs/dbraw/zinc/20/00/01/592200001.db2.gz KFGQURMEGRSPGF-UMNHJUIQSA-N 1 0 231.286 2.186 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886297721 592202902 /nfs/dbraw/zinc/20/29/02/592202902.db2.gz YPZIWFIHGPSLST-RDBSUJKOSA-N 1 0 221.344 2.311 20 30 BEEDRO N#CC1(CCC[N@@H+]2C[C@@H]3C[C@@H]3C2)CCOCC1 ZINC000886348172 592214015 /nfs/dbraw/zinc/21/40/15/592214015.db2.gz HVBVRBOPSDVSNS-BETUJISGSA-N 1 0 234.343 2.039 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000886355875 592216059 /nfs/dbraw/zinc/21/60/59/592216059.db2.gz OWJKCFVKMKKIAS-MNOVXSKESA-N 1 0 233.315 2.038 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)OCCCC)C1 ZINC000886357061 592216367 /nfs/dbraw/zinc/21/63/67/592216367.db2.gz ALBSOFIZAANDJT-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000886358610 592217094 /nfs/dbraw/zinc/21/70/94/592217094.db2.gz YANMHWFOZLVLMN-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000886363919 592218052 /nfs/dbraw/zinc/21/80/52/592218052.db2.gz IIYJYTRYYQPAQW-HNNXBMFYSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCc2ccncc2C)C1 ZINC000886365285 592219274 /nfs/dbraw/zinc/21/92/74/592219274.db2.gz FJIZGIOQIBILFI-AWEZNQCLSA-N 1 0 228.339 2.278 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000886365613 592219704 /nfs/dbraw/zinc/21/97/04/592219704.db2.gz MNKHGTLHAKJBTB-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CCC1([NH2+]Cc2occc2C)CCOCC1 ZINC000886381711 592222116 /nfs/dbraw/zinc/22/21/16/592222116.db2.gz OSWCPWYRMDWTOQ-UHFFFAOYSA-N 1 0 233.311 2.250 20 30 BEEDRO C#CCCC[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886535120 592251235 /nfs/dbraw/zinc/25/12/35/592251235.db2.gz VDJYWMAXDYESBW-CYBMUJFWSA-N 1 0 219.332 2.120 20 30 BEEDRO C=C(Cl)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886557035 592260225 /nfs/dbraw/zinc/26/02/25/592260225.db2.gz PWYYXHPBVHNSLN-DTORHVGOSA-N 1 0 203.738 2.034 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cncc(C(=O)OC)c1 ZINC000886618628 592277273 /nfs/dbraw/zinc/27/72/73/592277273.db2.gz GJCCEVXRITZMNZ-LLVKDONJSA-N 1 0 248.326 2.485 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C(=O)OC)C2)CC1 ZINC000886650240 592289586 /nfs/dbraw/zinc/28/95/86/592289586.db2.gz SFRIMXSLOAIKRA-AAVRWANBSA-N 1 0 249.354 2.110 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886651592 592290387 /nfs/dbraw/zinc/29/03/87/592290387.db2.gz KNQFFAWFEWQHIT-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H](C)CC=C)C1 ZINC000886660844 592292827 /nfs/dbraw/zinc/29/28/27/592292827.db2.gz HHEOVMCOPMXQHQ-KKUMJFAQSA-N 1 0 234.387 2.274 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000886660661 592293158 /nfs/dbraw/zinc/29/31/58/592293158.db2.gz CHCCROVTCXAZDA-STQMWFEESA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccs2)C1 ZINC000886659147 592293306 /nfs/dbraw/zinc/29/33/06/592293306.db2.gz DMJCWVQKORGWRQ-QWHCGFSZSA-N 1 0 248.395 2.496 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)[C@H](C)CC)C1 ZINC000886659162 592293375 /nfs/dbraw/zinc/29/33/75/592293375.db2.gz DUJCMPGWUYCVDB-MCIONIFRSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000886663051 592294912 /nfs/dbraw/zinc/29/49/12/592294912.db2.gz RWTOTSFDTYTOHH-LSDHHAIUSA-N 1 0 246.398 2.396 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886673893 592299193 /nfs/dbraw/zinc/29/91/93/592299193.db2.gz CINSMWHUHLQWKP-GFCCVEGCSA-N 1 0 217.316 2.232 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886673894 592299297 /nfs/dbraw/zinc/29/92/97/592299297.db2.gz CINSMWHUHLQWKP-LBPRGKRZSA-N 1 0 217.316 2.232 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)o1 ZINC000886815429 592335996 /nfs/dbraw/zinc/33/59/96/592335996.db2.gz DKLILAFEFHVGKT-SMDDNHRTSA-N 1 0 246.310 2.152 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815675 592337140 /nfs/dbraw/zinc/33/71/40/592337140.db2.gz IAVYRHVRNFCMRI-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821733 592346025 /nfs/dbraw/zinc/34/60/25/592346025.db2.gz GNMYPOLFUJOVND-MELADBBJSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](CC)[C@@](F)(C(=O)OCC)C1 ZINC000886874291 592376769 /nfs/dbraw/zinc/37/67/69/592376769.db2.gz KYCPIOYOBSNRFI-WCQYABFASA-N 1 0 243.322 2.176 20 30 BEEDRO C=C(Cl)CN1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886874036 592377073 /nfs/dbraw/zinc/37/70/73/592377073.db2.gz FBISRNDBYWAHJJ-GFCCVEGCSA-N 1 0 228.767 2.205 20 30 BEEDRO N#CCCCC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886975120 592403883 /nfs/dbraw/zinc/40/38/83/592403883.db2.gz AWQPHIXQKZFVCW-UHFFFAOYSA-N 1 0 236.359 2.355 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CCOCC1 ZINC000887120787 592445266 /nfs/dbraw/zinc/44/52/66/592445266.db2.gz OVKHNGSVWGMBPR-BTTYYORXSA-N 1 0 233.355 2.195 20 30 BEEDRO C#CCC1([NH2+]CCCC2CC2)CCOCC1 ZINC000887121125 592445986 /nfs/dbraw/zinc/44/59/86/592445986.db2.gz XSELKYQYBVUKCE-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1([NH2+]CCC(C)C)CCOCC1 ZINC000887124389 592447631 /nfs/dbraw/zinc/44/76/31/592447631.db2.gz BJUHXIRELAXFML-UHFFFAOYSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CCO1 ZINC000223174849 592519206 /nfs/dbraw/zinc/51/92/06/592519206.db2.gz UNXCKYXCOOMIMX-GWCFXTLKSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C1CC(C)(C(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000889220465 592589787 /nfs/dbraw/zinc/58/97/87/592589787.db2.gz YZZDYIXCWRMLTD-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO Cc1ccccc1CNC(=[NH2+])N1CCCCC1 ZINC000104156141 592602216 /nfs/dbraw/zinc/60/22/16/592602216.db2.gz ARVYLRJVIVBLSO-UHFFFAOYSA-N 1 0 231.343 2.296 20 30 BEEDRO CCCCCCCNC(=O)CCCC[NH3+] ZINC000106198070 592703796 /nfs/dbraw/zinc/70/37/96/592703796.db2.gz REIQAUQIHCFPNH-UHFFFAOYSA-N 1 0 214.353 2.202 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000289852182 592720139 /nfs/dbraw/zinc/72/01/39/592720139.db2.gz VCFQMRWWNQIMCC-SECBINFHSA-N 1 0 224.329 2.086 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000823882939 608466239 /nfs/dbraw/zinc/46/62/39/608466239.db2.gz GRZVNTFUZCEMQA-NXEZZACHSA-N 1 0 243.314 2.092 20 30 BEEDRO CCCCCCC[C@H](C)NOCC[NH3+] ZINC001258041991 985311054 /nfs/dbraw/zinc/31/10/54/985311054.db2.gz FHMDMNFWKROEJZ-NSHDSACASA-N 1 0 202.342 2.215 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]CCCCCCS ZINC001253752551 986372520 /nfs/dbraw/zinc/37/25/20/986372520.db2.gz WWRKJZSBOIVIAS-NSHDSACASA-N 1 0 233.421 2.473 20 30 BEEDRO C=CCOCCC[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925709791 634408174 /nfs/dbraw/zinc/40/81/74/634408174.db2.gz OLOSYSWFVNNYIY-HIFRSBDPSA-N 1 0 248.370 2.257 20 30 BEEDRO C[C@@H]1[NH2+]CCC[C@H]1NCC1(C#N)CCCCC1 ZINC000925710833 634409091 /nfs/dbraw/zinc/40/90/91/634409091.db2.gz XXYNEXCBHUSIDG-QWHCGFSZSA-N 1 0 235.375 2.191 20 30 BEEDRO CC(C)CC[NH+]1CCC(NC[C@H](C)C#N)CC1 ZINC000893545250 635127231 /nfs/dbraw/zinc/12/72/31/635127231.db2.gz QXVHORGWVFUNLX-CYBMUJFWSA-N 1 0 237.391 2.246 20 30 BEEDRO C=C(CC)CNC(=[NH2+])NC1CCCCC1 ZINC000313532960 634484879 /nfs/dbraw/zinc/48/48/79/634484879.db2.gz IIJXVOMAFCSTQJ-UHFFFAOYSA-N 1 0 209.337 2.399 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027363221 634496880 /nfs/dbraw/zinc/49/68/80/634496880.db2.gz AHLZFDSOKCVNOB-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000909386150 634584159 /nfs/dbraw/zinc/58/41/59/634584159.db2.gz DSRVPWBZOQOAJW-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])N(C)C)Oc1cccc(C)c1 ZINC000178561935 635456766 /nfs/dbraw/zinc/45/67/66/635456766.db2.gz GMPBFJRAKNJDHX-LBPRGKRZSA-N 1 0 249.358 2.029 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574881 635525703 /nfs/dbraw/zinc/52/57/03/635525703.db2.gz AEFPVCZYUBGWDZ-LBPRGKRZSA-N 1 0 245.370 2.419 20 30 BEEDRO CC(C)[C@@H](C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000178580380 635528231 /nfs/dbraw/zinc/52/82/31/635528231.db2.gz RSBNTORYJFSBLR-NEPJUHHUSA-N 1 0 225.380 2.325 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932039634 635541723 /nfs/dbraw/zinc/54/17/23/635541723.db2.gz PRDJUFDAUKKMJH-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccsc1 ZINC000308580837 631275758 /nfs/dbraw/zinc/27/57/58/631275758.db2.gz PAWBZHXFOZRBKP-KOLCDFICSA-N 1 0 211.330 2.336 20 30 BEEDRO CC[NH+]=C(NCC1(C2CC2)CCC1)NC1CC1 ZINC000157836526 631286330 /nfs/dbraw/zinc/28/63/30/631286330.db2.gz WBHHSQNKMSYJIZ-UHFFFAOYSA-N 1 0 235.375 2.284 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308355106 631296868 /nfs/dbraw/zinc/29/68/68/631296868.db2.gz YHCAZBGIGZIJAZ-RYUDHWBXSA-N 1 0 241.400 2.453 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308382319 631314458 /nfs/dbraw/zinc/31/44/58/631314458.db2.gz XIJLNUDPVSVELT-IJLUTSLNSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001022057622 631317579 /nfs/dbraw/zinc/31/75/79/631317579.db2.gz QXSJCSXDHSEMGF-OKILXGFUSA-N 1 0 248.370 2.300 20 30 BEEDRO C=C(Cl)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933383400 631345007 /nfs/dbraw/zinc/34/50/07/631345007.db2.gz QTBWNJAZBBMKFJ-GXSJLCMTSA-N 1 0 213.708 2.040 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)Cc1cccc(=O)[nH]1 ZINC000933398470 631359786 /nfs/dbraw/zinc/35/97/86/631359786.db2.gz MFNGNPZNAPMKEJ-UHFFFAOYSA-N 1 0 233.315 2.159 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000308783419 631391412 /nfs/dbraw/zinc/39/14/12/631391412.db2.gz DSKJBFOSKHQEDL-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000308490740 631400743 /nfs/dbraw/zinc/40/07/43/631400743.db2.gz BLYLQPSMIDKVLV-QMMMGPOBSA-N 1 0 206.314 2.132 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+][C@@H]3CC[C@@H](C#N)C3)C2)CO1 ZINC000926201917 631415625 /nfs/dbraw/zinc/41/56/25/631415625.db2.gz HRAHAYWMPLKIOQ-PGDPNYEUSA-N 1 0 234.343 2.226 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926203933 631425029 /nfs/dbraw/zinc/42/50/29/631425029.db2.gz ZVNVSDXHNRCBNU-ABZJQCSKSA-N 1 0 224.348 2.231 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001022268714 631449360 /nfs/dbraw/zinc/44/93/60/631449360.db2.gz LMFABQMTTZWAFL-MELADBBJSA-N 1 0 248.370 2.156 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CC[C@H]1CCCO1 ZINC000087248325 631477438 /nfs/dbraw/zinc/47/74/38/631477438.db2.gz KVRFLGGNPIUSIJ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO CCCCCCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000158018844 631513879 /nfs/dbraw/zinc/51/38/79/631513879.db2.gz HZFYCRXTXKTFQS-LLVKDONJSA-N 1 0 228.380 2.446 20 30 BEEDRO CSC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308723546 631555452 /nfs/dbraw/zinc/55/54/52/631555452.db2.gz FKHZTOAZECMXEK-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC2(CCC2)CC1 ZINC000308741343 631558852 /nfs/dbraw/zinc/55/88/52/631558852.db2.gz COOCSQLWNLNXIH-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO COC(=O)C(C)(C)C[N@H+](CCC#N)CC(C)C ZINC000093717052 631570576 /nfs/dbraw/zinc/57/05/76/631570576.db2.gz USMCWARQDQZACN-UHFFFAOYSA-N 1 0 240.347 2.057 20 30 BEEDRO CCCCNC(=[NH2+])NCCCc1ccccc1 ZINC000303697514 635634862 /nfs/dbraw/zinc/63/48/62/635634862.db2.gz FTFAIBAIMGRMOU-UHFFFAOYSA-N 1 0 233.359 2.324 20 30 BEEDRO CCOCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000303776630 635644586 /nfs/dbraw/zinc/64/45/86/635644586.db2.gz HXPGGRJHHDJQCT-LBPRGKRZSA-N 1 0 243.395 2.142 20 30 BEEDRO CC(C)C[C@@H]1CCCC(N=NC(N)=[NH2+])C1 ZINC000308768574 631639928 /nfs/dbraw/zinc/63/99/28/631639928.db2.gz PPAZVTKVXJBJNE-VIFPVBQESA-N 1 0 210.325 2.062 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674527 635657721 /nfs/dbraw/zinc/65/77/21/635657721.db2.gz XMICIVBTICXWHN-CQSZACIVSA-N 1 0 232.327 2.324 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248636673 635678028 /nfs/dbraw/zinc/67/80/28/635678028.db2.gz UZMRGJYWVDKUBV-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000308796611 631648899 /nfs/dbraw/zinc/64/88/99/631648899.db2.gz KLGADWJEDJAKKR-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000308803636 631667279 /nfs/dbraw/zinc/66/72/79/631667279.db2.gz ADJKIGORTNNUTH-ZDUSSCGKSA-N 1 0 200.285 2.146 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000308820050 631673088 /nfs/dbraw/zinc/67/30/88/631673088.db2.gz GDQQETTXUCNTEQ-WOPDTQHZSA-N 1 0 241.425 2.369 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H](C)CC1(C)C ZINC000308836523 631677938 /nfs/dbraw/zinc/67/79/38/631677938.db2.gz WPUDFBMAJSPTLT-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cocc2C)C1 ZINC001022550702 631678855 /nfs/dbraw/zinc/67/88/55/631678855.db2.gz FZGYPTGHAOXJQO-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001022549430 631682724 /nfs/dbraw/zinc/68/27/24/631682724.db2.gz OOOJXVAHXKGTTM-MELADBBJSA-N 1 0 248.370 2.156 20 30 BEEDRO C#C[C@H]([NH2+]C1CCCCC1)[C@H]1CCCO1 ZINC000308844577 631691202 /nfs/dbraw/zinc/69/12/02/631691202.db2.gz OQYJQMSLPUDAEE-QWHCGFSZSA-N 1 0 207.317 2.090 20 30 BEEDRO C#C[C@H]([NH2+]C1CCCCC1)[C@@H]1CCCO1 ZINC000308844579 631691682 /nfs/dbraw/zinc/69/16/82/631691682.db2.gz OQYJQMSLPUDAEE-STQMWFEESA-N 1 0 207.317 2.090 20 30 BEEDRO CC(C)([NH2+]CCCC#N)C1CCOCC1 ZINC000308856151 631695575 /nfs/dbraw/zinc/69/55/75/631695575.db2.gz PWQWPDKLZRJFOH-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nonc1C ZINC000308972712 631769100 /nfs/dbraw/zinc/76/91/00/631769100.db2.gz FQPOGJPAGMTRDA-IUCAKERBSA-N 1 0 209.293 2.068 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972108953 631785820 /nfs/dbraw/zinc/78/58/20/631785820.db2.gz CSLGOPIFPKIVAW-UKRRQHHQSA-N 1 0 248.370 2.061 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC23CCCC3)C1 ZINC000934392940 631819737 /nfs/dbraw/zinc/81/97/37/631819737.db2.gz WZVMVZONFBVZMN-JHJVBQTASA-N 1 0 234.343 2.370 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000309065513 631829777 /nfs/dbraw/zinc/82/97/77/631829777.db2.gz ZASUUJVARYZLOS-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000309065514 631830131 /nfs/dbraw/zinc/83/01/31/631830131.db2.gz ZASUUJVARYZLOS-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CCCC)COC)C(C)C ZINC000309067006 631830689 /nfs/dbraw/zinc/83/06/89/631830689.db2.gz AAFYNNBWNVEULW-OLZOCXBDSA-N 1 0 211.349 2.439 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCc1cncs1 ZINC000934458922 631847990 /nfs/dbraw/zinc/84/79/90/631847990.db2.gz FXWVIQIMPNDRCN-SNVBAGLBSA-N 1 0 208.330 2.336 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H](CCC)C(=O)OCC ZINC000934459273 631848168 /nfs/dbraw/zinc/84/81/68/631848168.db2.gz DSKMMQSGBJCYTI-NWDGAFQWSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCc1cncs1 ZINC000934458921 631848526 /nfs/dbraw/zinc/84/85/26/631848526.db2.gz FXWVIQIMPNDRCN-JTQLQIEISA-N 1 0 208.330 2.336 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000934460520 631848917 /nfs/dbraw/zinc/84/89/17/631848917.db2.gz PYDBGHJACNIGBM-CHWSQXEVSA-N 1 0 245.322 2.477 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)Cc1ccc(F)cc1 ZINC000934459627 631850250 /nfs/dbraw/zinc/85/02/50/631850250.db2.gz KTMQQLARELFGOH-GJZGRUSLSA-N 1 0 249.329 2.380 20 30 BEEDRO C=CC[C@@H]1CCN1CC[NH+]1CCC(C)CC1 ZINC000934459980 631852912 /nfs/dbraw/zinc/85/29/12/631852912.db2.gz JBKMVCKVUWZNLT-CQSZACIVSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCc1cccnc1 ZINC000934461412 631857742 /nfs/dbraw/zinc/85/77/42/631857742.db2.gz XQKSQNHGYJJWTG-CYBMUJFWSA-N 1 0 202.301 2.275 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1cnc(C)cn1 ZINC000934464859 631860687 /nfs/dbraw/zinc/86/06/87/631860687.db2.gz QZVVLRLAEDESTB-NWDGAFQWSA-N 1 0 217.316 2.496 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCc1ccncc1 ZINC000934464484 631861006 /nfs/dbraw/zinc/86/10/06/631861006.db2.gz OXRARVZICAFAMQ-ZDUSSCGKSA-N 1 0 202.301 2.275 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CC[S@](=O)c1ccccc1 ZINC000934469112 631862248 /nfs/dbraw/zinc/86/22/48/631862248.db2.gz OOMRYANTCCADNJ-GUYCJALGSA-N 1 0 249.379 2.445 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(CC)CC ZINC000934470632 631864178 /nfs/dbraw/zinc/86/41/78/631864178.db2.gz CZRRRAWUHPUKHU-YPMHNXCESA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CC(=O)N1CCCC[C@H]1C ZINC000934472878 631867526 /nfs/dbraw/zinc/86/75/26/631867526.db2.gz RBADIKJJZOIGOV-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCOC(C)(C)C ZINC000934511210 631893587 /nfs/dbraw/zinc/89/35/87/631893587.db2.gz JRTNYVCKXQVYFA-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000934515185 631894579 /nfs/dbraw/zinc/89/45/79/631894579.db2.gz GZVUWBPWOOLBDG-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](OCC)C1CC1 ZINC000934514736 631894684 /nfs/dbraw/zinc/89/46/84/631894684.db2.gz AZWPIMPKLBEALA-ZIAGYGMSSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1cnccc1C ZINC000934514224 631896224 /nfs/dbraw/zinc/89/62/24/631896224.db2.gz GFYDRPULYDNQTF-CQSZACIVSA-N 1 0 214.312 2.378 20 30 BEEDRO C#C[C@@H]1CCCCN1Cc1cc(CO)ccc1F ZINC000934515000 631897505 /nfs/dbraw/zinc/89/75/05/631897505.db2.gz DXGLHDLHIZOWNK-CQSZACIVSA-N 1 0 247.313 2.306 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@@H](C)O1 ZINC000934516629 631897979 /nfs/dbraw/zinc/89/79/79/631897979.db2.gz NEUSQTFZQFNTTC-JHJVBQTASA-N 1 0 207.317 2.042 20 30 BEEDRO FCCCC[NH2+]CC#Cc1ccccc1 ZINC000309145379 631907115 /nfs/dbraw/zinc/90/71/15/631907115.db2.gz VAKLGGBMTNAXAT-UHFFFAOYSA-N 1 0 205.276 2.377 20 30 BEEDRO Cc1ncc(CNC(=[NH2+])Nc2ccccc2)s1 ZINC000052047949 632055408 /nfs/dbraw/zinc/05/54/08/632055408.db2.gz KYGRQOBMRNYNRW-UHFFFAOYSA-N 1 0 246.339 2.188 20 30 BEEDRO C[C@]12CSC[C@H]1C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC000934765066 632062343 /nfs/dbraw/zinc/06/23/43/632062343.db2.gz BRESLIIZPJUKDC-RNJOBUHISA-N 1 0 236.384 2.364 20 30 BEEDRO CCCCCCCC(=O)N(C)[C@H](C)C[NH3+] ZINC000158416976 632062608 /nfs/dbraw/zinc/06/26/08/632062608.db2.gz CCJXXYDZLRTTHC-LLVKDONJSA-N 1 0 214.353 2.153 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926453769 632074144 /nfs/dbraw/zinc/07/41/44/632074144.db2.gz VGCUADBLAFJWFL-GMTAPVOTSA-N 1 0 212.337 2.328 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCC2CC2)cc1 ZINC000161548996 632078938 /nfs/dbraw/zinc/07/89/38/632078938.db2.gz XEXNEFXJCLZBPX-HNNXBMFYSA-N 1 0 244.338 2.371 20 30 BEEDRO CCCCCCCCC[N@H+](C)CC(N)=O ZINC000126225879 635695690 /nfs/dbraw/zinc/69/56/90/635695690.db2.gz UWAFDKJMIRBXMD-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO C[C@]1(Br)C[C@@H]1C[NH2+]CC1(C#N)CC1 ZINC000894203270 635746797 /nfs/dbraw/zinc/74/67/97/635746797.db2.gz FKMXRXPFISEERE-BDAKNGLRSA-N 1 0 243.148 2.053 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926483170 632118478 /nfs/dbraw/zinc/11/84/78/632118478.db2.gz RHOCSQVZYZFEOZ-QWRGUYRKSA-N 1 0 234.347 2.476 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000161707089 632133485 /nfs/dbraw/zinc/13/34/85/632133485.db2.gz AIEMPAOMMUNODD-UHFFFAOYSA-N 1 0 246.354 2.189 20 30 BEEDRO C#CCN1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000156789805 632399712 /nfs/dbraw/zinc/39/97/12/632399712.db2.gz OWPKAUMVJDEKSJ-UHFFFAOYSA-N 1 0 248.395 2.061 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCSC1 ZINC000226381776 632404353 /nfs/dbraw/zinc/40/43/53/632404353.db2.gz JKIFWTJROLODMP-AWEZNQCLSA-N 1 0 231.364 2.381 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000245875810 632414530 /nfs/dbraw/zinc/41/45/30/632414530.db2.gz KBHUZMOWUDTURE-CLLJXQQHSA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000168530630 632473876 /nfs/dbraw/zinc/47/38/76/632473876.db2.gz YWCGMBJQBLVFNZ-UHFFFAOYSA-N 1 0 203.285 2.287 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2CC)c1 ZINC000926550517 632482484 /nfs/dbraw/zinc/48/24/84/632482484.db2.gz NCAZHFBMIQZGKI-LSDHHAIUSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)c1 ZINC000926552292 632488083 /nfs/dbraw/zinc/48/80/83/632488083.db2.gz TWXAEIKSGFOCPK-YWPYICTPSA-N 1 0 229.323 2.181 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccnc(Cl)c1 ZINC000309590911 632551097 /nfs/dbraw/zinc/55/10/97/632551097.db2.gz USRIXOBZKYTLJO-GXSJLCMTSA-N 1 0 240.734 2.323 20 30 BEEDRO CCCCCCC[NH2+]Cc1cncn1C ZINC000308951598 632575319 /nfs/dbraw/zinc/57/53/19/632575319.db2.gz PHNTVFGDVIMWAV-UHFFFAOYSA-N 1 0 209.337 2.480 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000308955390 632580386 /nfs/dbraw/zinc/58/03/86/632580386.db2.gz XBJKKHWIEHNNJD-GMTAPVOTSA-N 1 0 242.413 2.259 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000290333661 632650281 /nfs/dbraw/zinc/65/02/81/632650281.db2.gz KLORQLIDUYHZGZ-KFWWJZLASA-N 1 0 227.307 2.077 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000309762507 632667714 /nfs/dbraw/zinc/66/77/14/632667714.db2.gz IZGCMJNXBZLJMH-SECBINFHSA-N 1 0 231.324 2.250 20 30 BEEDRO C=CCCCCCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000310252593 632711697 /nfs/dbraw/zinc/71/16/97/632711697.db2.gz XBHJOSOOVHZKCU-ZDUSSCGKSA-N 1 0 238.375 2.381 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccncc1 ZINC000310254148 632712307 /nfs/dbraw/zinc/71/23/07/632712307.db2.gz ZIENSQYYSRCFAA-NEPJUHHUSA-N 1 0 233.315 2.003 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccoc1 ZINC001024331162 632727555 /nfs/dbraw/zinc/72/75/55/632727555.db2.gz FEHUZFLIPGYAKN-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO N#Cc1cccc(NC(=O)CCCCCC[NH3+])c1 ZINC000310376928 632729740 /nfs/dbraw/zinc/72/97/40/632729740.db2.gz OIYBWIMXYMPUCN-UHFFFAOYSA-N 1 0 245.326 2.406 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000926684655 632819113 /nfs/dbraw/zinc/81/91/13/632819113.db2.gz HVSWOFOFPNHAHH-QWHCGFSZSA-N 1 0 208.349 2.169 20 30 BEEDRO C[C@@H]1CC[C@@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339083112 635825522 /nfs/dbraw/zinc/82/55/22/635825522.db2.gz ZDRNGPUSVIMNHS-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000661380018 632880323 /nfs/dbraw/zinc/88/03/23/632880323.db2.gz KRTJRJLGFPCOOY-NSHDSACASA-N 1 0 205.305 2.198 20 30 BEEDRO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000892521413 632883022 /nfs/dbraw/zinc/88/30/22/632883022.db2.gz SRBPYRJMWLCHRC-QWRGUYRKSA-N 1 0 246.310 2.160 20 30 BEEDRO CC(=[NH+]N[C@H]1CCSC1)c1ccc(N)cc1 ZINC000309290313 632893376 /nfs/dbraw/zinc/89/33/76/632893376.db2.gz PXCCWJSBHYAZTN-LBPRGKRZSA-N 1 0 235.356 2.088 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000310720077 632895668 /nfs/dbraw/zinc/89/56/68/632895668.db2.gz XXWQVSMMVDEZON-UHFFFAOYSA-N 1 0 249.354 2.206 20 30 BEEDRO CCCCCCCC[NH2+]Cc1cnn(C)n1 ZINC000309298820 632906169 /nfs/dbraw/zinc/90/61/69/632906169.db2.gz XRWZSOCKEFLIJK-UHFFFAOYSA-N 1 0 224.352 2.265 20 30 BEEDRO COc1cccc([C@H](C)[NH2+]CCO[C@@H](C)C#N)c1 ZINC000310721168 632918439 /nfs/dbraw/zinc/91/84/39/632918439.db2.gz RAXMNSRPTXFUBN-RYUDHWBXSA-N 1 0 248.326 2.274 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000229686925 632987257 /nfs/dbraw/zinc/98/72/57/632987257.db2.gz MPIGTGWZEHFMAU-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(C)c1O ZINC000229883601 633000024 /nfs/dbraw/zinc/00/00/24/633000024.db2.gz OWDGXCUTODWESN-GFCCVEGCSA-N 1 0 203.285 2.202 20 30 BEEDRO C#CCCC[NH2+]CC1Cc2ccccc2C1 ZINC000309387224 633004230 /nfs/dbraw/zinc/00/42/30/633004230.db2.gz AWIKHAMFDDMUFR-UHFFFAOYSA-N 1 0 213.324 2.404 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000310854342 633011262 /nfs/dbraw/zinc/01/12/62/633011262.db2.gz DNWFGPIFPKKHEC-UONOGXRCSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC001006975853 635880973 /nfs/dbraw/zinc/88/09/73/635880973.db2.gz IEJQRLVRSOGSNF-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H]([C@@H](C)NC(C)=O)C1 ZINC001025306359 633098040 /nfs/dbraw/zinc/09/80/40/633098040.db2.gz DTKHPUBUDFTKBR-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccccc1CNC(=[NH2+])Nc1ccccn1 ZINC000170906976 633175934 /nfs/dbraw/zinc/17/59/34/633175934.db2.gz RBVLADIHRRKCSD-UHFFFAOYSA-N 1 0 240.310 2.317 20 30 BEEDRO CC(=NNC1=[NH+][C@H](C)CN1)C1CCCCCC1 ZINC000783860972 633185085 /nfs/dbraw/zinc/18/50/85/633185085.db2.gz AQMCPDRLSREWBC-SNVBAGLBSA-N 1 0 236.363 2.270 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(Cl)nc1 ZINC000309541390 633192111 /nfs/dbraw/zinc/19/21/11/633192111.db2.gz YLKMSVPEIALWQR-NSHDSACASA-N 1 0 240.734 2.009 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000894737995 635918708 /nfs/dbraw/zinc/91/87/08/635918708.db2.gz MDMPPHPOGHRBLR-LLVKDONJSA-N 1 0 243.310 2.016 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2cncs2)cc1 ZINC000309584802 633207431 /nfs/dbraw/zinc/20/74/31/633207431.db2.gz UYHBNTMBFPMPML-UHFFFAOYSA-N 1 0 228.320 2.414 20 30 BEEDRO CCCCCCCCCNC(=O)[C@@H](C)[NH3+] ZINC000236634355 633209551 /nfs/dbraw/zinc/20/95/51/633209551.db2.gz BTHXKLISDFZVIY-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO CCCCCCCCCNC(=O)C[NH2+]C ZINC000236634241 633209621 /nfs/dbraw/zinc/20/96/21/633209621.db2.gz JCOBLNSKXFMYMS-UHFFFAOYSA-N 1 0 214.353 2.073 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2COC[C@H]2CC)CC1 ZINC000926841199 633209901 /nfs/dbraw/zinc/20/99/01/633209901.db2.gz XNRPGSMSCMPVGA-SYQHCUMBSA-N 1 0 221.344 2.193 20 30 BEEDRO CCNC(NC[C@@H]1CCc2ccccc21)=[NH+]CC ZINC000171801493 633211217 /nfs/dbraw/zinc/21/12/17/633211217.db2.gz IFNXPZKOWSAZHS-ZDUSSCGKSA-N 1 0 245.370 2.291 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)CC(C)C)[C@H]1CCCO1 ZINC000309641658 633217203 /nfs/dbraw/zinc/21/72/03/633217203.db2.gz UUBAMPCLOZMGIE-HZSPNIEDSA-N 1 0 223.360 2.439 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccoc1 ZINC000309690736 633228909 /nfs/dbraw/zinc/22/89/09/633228909.db2.gz PQECCPWWYFUZCG-STQMWFEESA-N 1 0 221.300 2.350 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@@H]1CCCO1 ZINC000309731226 633233840 /nfs/dbraw/zinc/23/38/40/633233840.db2.gz BFAODVXMFMUXES-AVGNSLFASA-N 1 0 221.344 2.336 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cn2ccnc2s1 ZINC000894856473 635953884 /nfs/dbraw/zinc/95/38/84/635953884.db2.gz STTGYPNYAFGILE-UHFFFAOYSA-N 1 0 248.355 2.425 20 30 BEEDRO COC[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237166087 636021298 /nfs/dbraw/zinc/02/12/98/636021298.db2.gz QQMPWZKPFASCPO-VXGBXAGGSA-N 1 0 248.326 2.102 20 30 BEEDRO CNC(=[NH2+])NCc1c(Cl)cccc1Cl ZINC000307099309 635982993 /nfs/dbraw/zinc/98/29/93/635982993.db2.gz RUQHGLQVIBKLKH-UHFFFAOYSA-N 1 0 232.114 2.028 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926866505 633733732 /nfs/dbraw/zinc/73/37/32/633733732.db2.gz XWOXUULIIKFFHS-NEPJUHHUSA-N 1 0 224.348 2.231 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+]CC#Cc1ccccc1 ZINC000328170317 633739901 /nfs/dbraw/zinc/73/99/01/633739901.db2.gz KJVGKANSVJCGJU-ZBFHGGJFSA-N 1 0 243.350 2.179 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CCCCC ZINC000328205318 633741604 /nfs/dbraw/zinc/74/16/04/633741604.db2.gz UTFVHUCXXHYMBM-AWEZNQCLSA-N 1 0 224.392 2.500 20 30 BEEDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000926875349 633766986 /nfs/dbraw/zinc/76/69/86/633766986.db2.gz ZBAOPJIYHMUXHC-ITGUQSILSA-N 1 0 236.359 2.331 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)CSCCC ZINC000892991560 633798517 /nfs/dbraw/zinc/79/85/17/633798517.db2.gz HBYNWKQQNLAJRS-LLVKDONJSA-N 1 0 231.430 2.474 20 30 BEEDRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308740215 633808591 /nfs/dbraw/zinc/80/85/91/633808591.db2.gz OGCMAFMLTGFMKS-HBNTYKKESA-N 1 0 212.362 2.410 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)n(C)n1 ZINC000309381904 633904848 /nfs/dbraw/zinc/90/48/48/633904848.db2.gz DKCWSJZYFRWMCS-NSHDSACASA-N 1 0 220.320 2.073 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000309502770 633937787 /nfs/dbraw/zinc/93/77/87/633937787.db2.gz BGQJOHVJHFJYOV-WCBMZHEXSA-N 1 0 241.718 2.243 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOC2CCC2)C1 ZINC000309543938 633948517 /nfs/dbraw/zinc/94/85/17/633948517.db2.gz ZARRXBRJOVZMKA-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C#C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCO1 ZINC000309541924 633949853 /nfs/dbraw/zinc/94/98/53/633949853.db2.gz GRCNGUYNKGUBMX-KGLIPLIRSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC1CCC1)[C@@H]1CCCO1 ZINC000309781255 634003706 /nfs/dbraw/zinc/00/37/06/634003706.db2.gz RGYWOQMANANVSW-XBFCOCLRSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000895489319 636149670 /nfs/dbraw/zinc/14/96/70/636149670.db2.gz BAUGOVGMNFBZGA-RWMBFGLXSA-N 1 0 211.349 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000895489505 636150164 /nfs/dbraw/zinc/15/01/64/636150164.db2.gz DLLVFEZQOSWYNU-PMPSAXMXSA-N 1 0 243.350 2.154 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000185537553 634049452 /nfs/dbraw/zinc/04/94/52/634049452.db2.gz PSOXXDMXJUKISU-KGLIPLIRSA-N 1 0 243.391 2.476 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnn(C)n1 ZINC000310026841 634087050 /nfs/dbraw/zinc/08/70/50/634087050.db2.gz PTMADFBXGXXTDJ-LLVKDONJSA-N 1 0 222.336 2.040 20 30 BEEDRO N#CC[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000930815120 634112993 /nfs/dbraw/zinc/11/29/93/634112993.db2.gz SGGZAPBWZXNRQP-CYBMUJFWSA-N 1 0 248.301 2.069 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000162568750 634200334 /nfs/dbraw/zinc/20/03/34/634200334.db2.gz NAMXCDMQUHYLIK-QWRGUYRKSA-N 1 0 205.276 2.368 20 30 BEEDRO C#C[C@H](CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000162571618 634206785 /nfs/dbraw/zinc/20/67/85/634206785.db2.gz VVIZSEWAANAVRL-GFCCVEGCSA-N 1 0 232.283 2.139 20 30 BEEDRO CCCCCCCC[N@H+](CC)CC(N)=O ZINC000191702398 634219722 /nfs/dbraw/zinc/21/97/22/634219722.db2.gz ALHJTZABKNSEQW-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO C=CC[NH2+]C1CCC(NC(=O)C(C)(C)C)CC1 ZINC001026597613 634223951 /nfs/dbraw/zinc/22/39/51/634223951.db2.gz RPPKXHZCXJRABO-UHFFFAOYSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1Cc1cccc(C#N)c1 ZINC000311182961 634232865 /nfs/dbraw/zinc/23/28/65/634232865.db2.gz ZDNYETHDTIMIPP-WFASDCNBSA-N 1 0 243.354 2.083 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000925699507 634366095 /nfs/dbraw/zinc/36/60/95/634366095.db2.gz WQCAYFSMTOZYIV-GNRIBBGQSA-N 1 0 223.360 2.339 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)c1cnnn1C ZINC000925701990 634376771 /nfs/dbraw/zinc/37/67/71/634376771.db2.gz IYMHTFQUWYIBBQ-LLVKDONJSA-N 1 0 224.352 2.436 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000893549618 635141011 /nfs/dbraw/zinc/14/10/11/635141011.db2.gz YLAZQCPZSJWZTA-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001010079967 635186524 /nfs/dbraw/zinc/18/65/24/635186524.db2.gz OCZKVHFTLHDNID-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(C#N)cc1 ZINC000925782138 635277777 /nfs/dbraw/zinc/27/77/77/635277777.db2.gz DEJBHICUZBDOJU-KCPJHIHWSA-N 1 0 243.354 2.207 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000980881970 635296050 /nfs/dbraw/zinc/29/60/50/635296050.db2.gz SSBOBBNVFDJFLT-VOTSOKGWSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000980922358 635302614 /nfs/dbraw/zinc/30/26/14/635302614.db2.gz RWTKDYBQBNHRCE-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC000981004513 635309162 /nfs/dbraw/zinc/30/91/62/635309162.db2.gz YZOAIWVTLCVNGJ-UONOGXRCSA-N 1 0 248.370 2.300 20 30 BEEDRO Cc1ccc(CN[C@@H]2CCC[NH2+][C@H]2C)cc1C#N ZINC000925838332 635498757 /nfs/dbraw/zinc/49/87/57/635498757.db2.gz LRAJHXWITZIADL-SWLSCSKDSA-N 1 0 243.354 2.097 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)CCC)[C@H]1CCCO1 ZINC000883188726 636179061 /nfs/dbraw/zinc/17/90/61/636179061.db2.gz PJZMZFJKADRUSU-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000336474555 636252550 /nfs/dbraw/zinc/25/25/50/636252550.db2.gz SOGVKRNHCIEFNK-JSGCOSHPSA-N 1 0 225.295 2.340 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)c2ccoc2)CC1 ZINC000985268629 636272087 /nfs/dbraw/zinc/27/20/87/636272087.db2.gz RIQPSUYGHCQZTF-UHFFFAOYSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)[C@H](C)CC)CC1 ZINC000985275527 636274139 /nfs/dbraw/zinc/27/41/39/636274139.db2.gz BXRQUBQCXCDRQU-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO CCOCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000303776629 636312066 /nfs/dbraw/zinc/31/20/66/636312066.db2.gz HXPGGRJHHDJQCT-GFCCVEGCSA-N 1 0 243.395 2.142 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303976036 636320458 /nfs/dbraw/zinc/32/04/58/636320458.db2.gz JSAUREDNCMAUCA-XHVZSJERSA-N 1 0 249.333 2.384 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000035012504 636369453 /nfs/dbraw/zinc/36/94/53/636369453.db2.gz VEVWKURCPASRFT-NSHDSACASA-N 1 0 230.311 2.477 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@@H](C)C1 ZINC000925197008 636376065 /nfs/dbraw/zinc/37/60/65/636376065.db2.gz JTRJSANGLTXVQD-OLZOCXBDSA-N 1 0 237.391 2.246 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2c1NCCC2 ZINC000320722101 636380894 /nfs/dbraw/zinc/38/08/94/636380894.db2.gz ITBXENINPGBEMD-CQSZACIVSA-N 1 0 246.354 2.071 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CCC)[C@H]1C ZINC000985862450 636437012 /nfs/dbraw/zinc/43/70/12/636437012.db2.gz XHBLNRAJNKIPDL-WDEREUQCSA-N 1 0 244.766 2.118 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(/C)C2CC2)[C@H]1C ZINC000985994927 636462792 /nfs/dbraw/zinc/46/27/92/636462792.db2.gz OPZIFHZHLIMGCB-IELJYARXSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(/C)C2CC2)[C@@H]1C ZINC000985994930 636463076 /nfs/dbraw/zinc/46/30/76/636463076.db2.gz OPZIFHZHLIMGCB-XVGBTMSLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000168746461 636529670 /nfs/dbraw/zinc/52/96/70/636529670.db2.gz WOINTHMXDPPZBQ-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000840731620 636554453 /nfs/dbraw/zinc/55/44/53/636554453.db2.gz YIISVPODVUXLHT-SNVBAGLBSA-N 1 0 240.734 2.363 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000321088939 636562805 /nfs/dbraw/zinc/56/28/05/636562805.db2.gz DCGMFQAHSMNRFB-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO C=CCCCN(CC)c1nc(N)cc(C)[nH+]1 ZINC000897399231 636586078 /nfs/dbraw/zinc/58/60/78/636586078.db2.gz DXAGAZDXDJCKJM-UHFFFAOYSA-N 1 0 220.320 2.160 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccco2)C1 ZINC000987792890 636668765 /nfs/dbraw/zinc/66/87/65/636668765.db2.gz IEBLOWZBHGZSOU-RYUDHWBXSA-N 1 0 248.326 2.048 20 30 BEEDRO CC(=NNc1cc[nH+]cc1C)c1cnc(C)s1 ZINC000863156758 636687430 /nfs/dbraw/zinc/68/74/30/636687430.db2.gz BCNURHBPUQZVPC-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C(C)=C\C)C1 ZINC000988513919 636732298 /nfs/dbraw/zinc/73/22/98/636732298.db2.gz PFAMMPODLNNMDG-RLLAQXBXSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988582297 636739315 /nfs/dbraw/zinc/73/93/15/636739315.db2.gz AXPCJJWQQUXGBV-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988588622 636742228 /nfs/dbraw/zinc/74/22/28/636742228.db2.gz RPERSYBODSFONH-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC000897844750 636838593 /nfs/dbraw/zinc/83/85/93/636838593.db2.gz VHQLRGXUQJMOJY-IGYKFCIQSA-N 1 0 221.344 2.234 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897898326 636844709 /nfs/dbraw/zinc/84/47/09/636844709.db2.gz FXFSQUQJRDQGQM-LLVKDONJSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)CCC)CC1 ZINC000989859492 636885911 /nfs/dbraw/zinc/88/59/11/636885911.db2.gz ZTFFUDJDFAWLHB-UHFFFAOYSA-N 1 0 244.766 2.120 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)CC(C)C)CC1 ZINC000989872115 636888947 /nfs/dbraw/zinc/88/89/47/636888947.db2.gz BDOBLWIKZOQYGW-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@]2(NC(=O)CC)CCC[C@@H]12 ZINC000989870473 636889075 /nfs/dbraw/zinc/88/90/75/636889075.db2.gz LMNFYZIWTGSTPW-OCCSQVGLSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(Cl)COC(=O)[C@@H]1CCCN1C(C)C ZINC000923891037 637005590 /nfs/dbraw/zinc/00/55/90/637005590.db2.gz JQIVEMITSDZTSL-JTQLQIEISA-N 1 0 231.723 2.155 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](CO)C1 ZINC000927144218 637054099 /nfs/dbraw/zinc/05/40/99/637054099.db2.gz JWFIGQJENUUFQU-AAVRWANBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCCC[NH2+]C1CCN(OCC)CC1 ZINC000323538376 637087864 /nfs/dbraw/zinc/08/78/64/637087864.db2.gz ZFYHLTJNYFUDSV-UHFFFAOYSA-N 1 0 226.364 2.348 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000900903216 637196867 /nfs/dbraw/zinc/19/68/67/637196867.db2.gz GPDWUALNIUGMGZ-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000900903212 637196889 /nfs/dbraw/zinc/19/68/89/637196889.db2.gz GPDWUALNIUGMGZ-AAEUAGOBSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@](C)(CC)C1 ZINC000901028919 637228627 /nfs/dbraw/zinc/22/86/27/637228627.db2.gz BCPMWSRBZFYIID-CQSZACIVSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)C=C2CCC2)CC1 ZINC000990939167 637277921 /nfs/dbraw/zinc/27/79/21/637277921.db2.gz ORVZDURUYKGYNK-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCON)c1ccco1 ZINC000902426104 637304788 /nfs/dbraw/zinc/30/47/88/637304788.db2.gz QJYVQCXVQBLLPD-LLVKDONJSA-N 1 0 224.304 2.157 20 30 BEEDRO CCOCCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902754984 637333253 /nfs/dbraw/zinc/33/32/53/637333253.db2.gz JILLKVSKJOBIIJ-GFCCVEGCSA-N 1 0 247.342 2.421 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903167156 637350955 /nfs/dbraw/zinc/35/09/55/637350955.db2.gz HPDNWZKGRRSRDP-CLRIEMFWSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN(C)CC(C)(C)[NH3+] ZINC000903463961 637365168 /nfs/dbraw/zinc/36/51/68/637365168.db2.gz ULDXGYPNUNZQGQ-UHFFFAOYSA-N 1 0 245.370 2.344 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)C2=CCCC2)CC1 ZINC000991029359 637376209 /nfs/dbraw/zinc/37/62/09/637376209.db2.gz DVPOBPSXLPDUEI-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC1(Cc2nc(CC[NH3+])no2)CCCCC1 ZINC000904494847 637422926 /nfs/dbraw/zinc/42/29/26/637422926.db2.gz QZHSTNCEVOSYFL-UHFFFAOYSA-N 1 0 235.331 2.250 20 30 BEEDRO C=CC(C)(C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000904514064 637430794 /nfs/dbraw/zinc/43/07/94/637430794.db2.gz LEPYGKSVVJJZRD-UHFFFAOYSA-N 1 0 247.342 2.492 20 30 BEEDRO C=CCCc1noc([C@]23CC[NH2+][C@H]2CCCC3)n1 ZINC000904735251 637462882 /nfs/dbraw/zinc/46/28/82/637462882.db2.gz UFSKFIWTNFEFGL-SMDDNHRTSA-N 1 0 247.342 2.362 20 30 BEEDRO C=C(C)c1nc(C(F)(F)F)n2c1C[NH2+]CC2 ZINC000904795295 637489310 /nfs/dbraw/zinc/48/93/10/637489310.db2.gz QJXPVBBFSFENSA-UHFFFAOYSA-N 1 0 231.221 2.038 20 30 BEEDRO N#Cc1sccc1-c1nc2c(s1)C[NH2+]CC2 ZINC000904895496 637527699 /nfs/dbraw/zinc/52/76/99/637527699.db2.gz QFCYKWBAYVAYDW-UHFFFAOYSA-N 1 0 247.348 2.389 20 30 BEEDRO C=C/C=C\CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905425089 637811563 /nfs/dbraw/zinc/81/15/63/637811563.db2.gz MWCWNVDDVVCRAQ-FOQNGQEVSA-N 1 0 222.332 2.009 20 30 BEEDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905424447 637811804 /nfs/dbraw/zinc/81/18/04/637811804.db2.gz GNFFMOOHDLISSV-AAEUAGOBSA-N 1 0 236.359 2.067 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000905437370 637814353 /nfs/dbraw/zinc/81/43/53/637814353.db2.gz JQJBJTLVJJXYFF-RFQIPJPRSA-N 1 0 248.370 2.209 20 30 BEEDRO C[C@@]1(C[NH2+]CCC#N)CCOC2(CCC2)C1 ZINC000905489260 637835714 /nfs/dbraw/zinc/83/57/14/637835714.db2.gz AMHJBQWJMYSWLX-GFCCVEGCSA-N 1 0 222.332 2.229 20 30 BEEDRO N#CCC[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000905626600 637862547 /nfs/dbraw/zinc/86/25/47/637862547.db2.gz WPYUXVITHZJNRP-AWEZNQCLSA-N 1 0 230.311 2.194 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000905664287 637875620 /nfs/dbraw/zinc/87/56/20/637875620.db2.gz SHHOWKYNDPFPIU-QWHCGFSZSA-N 1 0 248.370 2.354 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCCC3(CC3)C2)CC1 ZINC000905664681 637876052 /nfs/dbraw/zinc/87/60/52/637876052.db2.gz SHHOWKYNDPFPIU-STQMWFEESA-N 1 0 248.370 2.354 20 30 BEEDRO CC1(C)CC[C@@H](CC[NH2+]CCC#N)OC1 ZINC000905641477 637880124 /nfs/dbraw/zinc/88/01/24/637880124.db2.gz BYHXLJNWDPVPKF-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C#CCN(CN1C(=O)[C@H]2CCCCC[C@H]21)C(C)C ZINC000905747822 637897391 /nfs/dbraw/zinc/89/73/91/637897391.db2.gz DRNQIECHXYTFRL-UONOGXRCSA-N 1 0 248.370 2.079 20 30 BEEDRO CC1(C[NH2+]C[C@@H](C#N)CCC#N)CC(F)(F)C1 ZINC000905778977 637909066 /nfs/dbraw/zinc/90/90/66/637909066.db2.gz YYFUCSCUXNSOCW-SNVBAGLBSA-N 1 0 241.285 2.455 20 30 BEEDRO C=C/C=C/CC[NH2+]C[C@@H](C#N)CCC#N ZINC000905781985 637911092 /nfs/dbraw/zinc/91/10/92/637911092.db2.gz XAQSCOZZJCCJCH-AAOUONPWSA-N 1 0 203.289 2.152 20 30 BEEDRO CC1(C)CO[C@@H](CC[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000905834547 637939661 /nfs/dbraw/zinc/93/96/61/637939661.db2.gz RVKDAXDXNVHHNJ-STQMWFEESA-N 1 0 249.358 2.225 20 30 BEEDRO CC(C)[NH2+]Cc1cn(CCCC(C)(C)C#N)nn1 ZINC000905812947 637941795 /nfs/dbraw/zinc/94/17/95/637941795.db2.gz MORHWHQVSHVYMI-UHFFFAOYSA-N 1 0 249.362 2.106 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000905948745 637995356 /nfs/dbraw/zinc/99/53/56/637995356.db2.gz OYSCPYSUOUVHIL-OLZOCXBDSA-N 1 0 236.359 2.162 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000905948742 637995710 /nfs/dbraw/zinc/99/57/10/637995710.db2.gz OYSCPYSUOUVHIL-CHWSQXEVSA-N 1 0 236.359 2.162 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CCC1CC1 ZINC000907438090 638376284 /nfs/dbraw/zinc/37/62/84/638376284.db2.gz SAJMRACGAPWVAO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H](C)C1 ZINC000907469009 638384027 /nfs/dbraw/zinc/38/40/27/638384027.db2.gz YYVNLBKLGLUZSB-GFCCVEGCSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000907852986 638486789 /nfs/dbraw/zinc/48/67/89/638486789.db2.gz QDVBPXIKWUQPMP-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]1C ZINC000907973244 638530972 /nfs/dbraw/zinc/53/09/72/638530972.db2.gz KLOYADJTSBBXIJ-YPMHNXCESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC(CC)(CC)C1 ZINC000908422091 638704305 /nfs/dbraw/zinc/70/43/05/638704305.db2.gz LJLMOQUITGBHSU-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC1(NC(=O)Cc2c[nH]cn2)CCCCC1 ZINC000909223742 639178295 /nfs/dbraw/zinc/17/82/95/639178295.db2.gz ZZOUDQWQKOHREZ-UHFFFAOYSA-N 1 0 247.342 2.347 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@]1(C)C(C)C ZINC000909903322 639265366 /nfs/dbraw/zinc/26/53/66/639265366.db2.gz NNOBCBYBKXQLHL-OCCSQVGLSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC#N)c1ccccc1OC ZINC000930202435 639637775 /nfs/dbraw/zinc/63/77/75/639637775.db2.gz VYYCSBOFYLDVMR-YPMHNXCESA-N 1 0 248.326 2.010 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC#N)C1CCCCC1 ZINC000930236278 639646354 /nfs/dbraw/zinc/64/63/54/639646354.db2.gz KSZYZJDLAOMZBO-OLZOCXBDSA-N 1 0 224.348 2.209 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)C1CCCCC1 ZINC000930236275 639646493 /nfs/dbraw/zinc/64/64/93/639646493.db2.gz KSZYZJDLAOMZBO-CHWSQXEVSA-N 1 0 224.348 2.209 20 30 BEEDRO C=C(C)C[N@H+](C)CCOC1CCSCC1 ZINC000930245486 639656770 /nfs/dbraw/zinc/65/67/70/639656770.db2.gz UHKZCFLILWUDNP-UHFFFAOYSA-N 1 0 229.389 2.407 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C/C=C/C(=O)OCC ZINC000930262963 639668796 /nfs/dbraw/zinc/66/87/96/639668796.db2.gz IWVHUQHCJHEHRV-YPUOHESYSA-N 1 0 223.316 2.146 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C/C=C/C(=O)OCC ZINC000930262958 639669406 /nfs/dbraw/zinc/66/94/06/639669406.db2.gz IWVHUQHCJHEHRV-CRALRDPISA-N 1 0 223.316 2.146 20 30 BEEDRO CN1CC[N@H+](CC2CCC(C#N)CC2)CC1(C)C ZINC000930312344 639698317 /nfs/dbraw/zinc/69/83/17/639698317.db2.gz KOCFOVDVXVVAEM-UHFFFAOYSA-N 1 0 249.402 2.342 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]CC1CCC(C#N)CC1 ZINC000930521122 639798371 /nfs/dbraw/zinc/79/83/71/639798371.db2.gz XEOYZELJRMXPMG-RUXDESIVSA-N 1 0 238.375 2.313 20 30 BEEDRO CC[N@H+](Cc1c(C)cc(C#N)cc1C)[C@@H](C)CO ZINC000930582944 639813779 /nfs/dbraw/zinc/81/37/79/639813779.db2.gz LXADCIYLKBWLKT-ZDUSSCGKSA-N 1 0 246.354 2.378 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000930601521 639817552 /nfs/dbraw/zinc/81/75/52/639817552.db2.gz UVLOPOHCHQAOFA-GJZGRUSLSA-N 1 0 231.339 2.420 20 30 BEEDRO CC(C)C[C@]1(C)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930608464 639819369 /nfs/dbraw/zinc/81/93/69/639819369.db2.gz PHWOFDNXVIBYKG-OLZOCXBDSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC(CC)(CC)C[NH3+] ZINC000911799824 639820467 /nfs/dbraw/zinc/82/04/67/639820467.db2.gz KFPBUTHDBIDZEF-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000930640227 639836620 /nfs/dbraw/zinc/83/66/20/639836620.db2.gz ULINLVQBZWHKQH-HTOAHKCRSA-N 1 0 239.359 2.123 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC12CCCC2 ZINC000911866199 639852332 /nfs/dbraw/zinc/85/23/32/639852332.db2.gz UYLBXCOKHYXHTD-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)[C@@H]1CCC[C@H](C)C1 ZINC000930667224 639853616 /nfs/dbraw/zinc/85/36/16/639853616.db2.gz OOCOAQQAFSPIFG-WUHRBBMRSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)[C@H]1CCC[C@@H](C)C1 ZINC000930667223 639853791 /nfs/dbraw/zinc/85/37/91/639853791.db2.gz OOCOAQQAFSPIFG-MROQNXINSA-N 1 0 224.348 2.065 20 30 BEEDRO COC[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000930676221 639858594 /nfs/dbraw/zinc/85/85/94/639858594.db2.gz MDRBJRAMMWJFFN-UONOGXRCSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCCCC1 ZINC000911892567 639870012 /nfs/dbraw/zinc/87/00/12/639870012.db2.gz YQSHKWYOLCPMPT-LBPRGKRZSA-N 1 0 224.348 2.073 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@](C)(C[NH3+])CC(C)C ZINC000911920047 639879690 /nfs/dbraw/zinc/87/96/90/639879690.db2.gz REHUBGFGKNFRIM-AWEZNQCLSA-N 1 0 238.375 2.198 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CCC)CC1CC1 ZINC000911965547 639910043 /nfs/dbraw/zinc/91/00/43/639910043.db2.gz XQJJMOPJMBRORD-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC000930816559 639918319 /nfs/dbraw/zinc/91/83/19/639918319.db2.gz MWSBHOADVAZPHV-QWHCGFSZSA-N 1 0 229.327 2.273 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](C[C@@H]2CC3CCC2CC3)C1 ZINC000930819211 639922479 /nfs/dbraw/zinc/92/24/79/639922479.db2.gz UPAQHAYLSJORBI-PFSRBDOWSA-N 1 0 248.370 2.163 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000930853312 639949550 /nfs/dbraw/zinc/94/95/50/639949550.db2.gz RQTGTVMZIVZMOC-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@@H](CCO)[N@H+](C)CC1CCC(C#N)CC1 ZINC000930862336 639954361 /nfs/dbraw/zinc/95/43/61/639954361.db2.gz JIMDSEUGBFFFRM-HIFPTAJRSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000930867332 639959423 /nfs/dbraw/zinc/95/94/23/639959423.db2.gz IDKYPAOVZHFLPR-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCCc2cccnc2)C1 ZINC000930887087 639972258 /nfs/dbraw/zinc/97/22/58/639972258.db2.gz WOYRVEMTPMOQLF-AWEZNQCLSA-N 1 0 228.339 2.359 20 30 BEEDRO C=CCCCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930910056 639982832 /nfs/dbraw/zinc/98/28/32/639982832.db2.gz CVWPDTREROGKAG-AGIUHOORSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C/C(C)=C/C(=O)OC)C1 ZINC000930962540 640000802 /nfs/dbraw/zinc/00/08/02/640000802.db2.gz OBLJZHDPVOVUME-CNELAYHGSA-N 1 0 237.343 2.394 20 30 BEEDRO C=CC[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C(C)(C)C ZINC000931018080 640024826 /nfs/dbraw/zinc/02/48/26/640024826.db2.gz WVTUBKAIWXOTJK-AVGNSLFASA-N 1 0 239.359 2.077 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCCCC(C)C ZINC000912360380 640031371 /nfs/dbraw/zinc/03/13/71/640031371.db2.gz YCBDKJPUOXBMQD-LBPRGKRZSA-N 1 0 226.364 2.222 20 30 BEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1[C@@H](C#N)c1ccccc1 ZINC000931038787 640032556 /nfs/dbraw/zinc/03/25/56/640032556.db2.gz UIGXISYTZREPFW-SNPRPXQTSA-N 1 0 243.354 2.276 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000931061974 640050014 /nfs/dbraw/zinc/05/00/14/640050014.db2.gz LPJJQVFARGGVBO-UHFFFAOYSA-N 1 0 234.343 2.039 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C/C(=O)OCC ZINC000931062493 640050624 /nfs/dbraw/zinc/05/06/24/640050624.db2.gz JQKDDMYDHTYPIY-GHEOONOUSA-N 1 0 235.327 2.289 20 30 BEEDRO CC(C)(C#N)CCCN1CCC[C@H]1c1nc[nH]n1 ZINC000931134295 640071988 /nfs/dbraw/zinc/07/19/88/640071988.db2.gz LRDYSPUUUIUKFP-NSHDSACASA-N 1 0 247.346 2.272 20 30 BEEDRO C#CC1(O)CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC000931145940 640078394 /nfs/dbraw/zinc/07/83/94/640078394.db2.gz XDBLYIZEAKMBDY-GFCCVEGCSA-N 1 0 247.313 2.347 20 30 BEEDRO C#CC1(O)CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000931145056 640079265 /nfs/dbraw/zinc/07/92/65/640079265.db2.gz NAWNTPNBNRBDDO-GFCCVEGCSA-N 1 0 247.313 2.347 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2C(=O)OCC)C1 ZINC000931163000 640084073 /nfs/dbraw/zinc/08/40/73/640084073.db2.gz IGVMVJGSMWKZNU-FRRDWIJNSA-N 1 0 237.343 2.084 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H]2C[C@H]2C(=O)OCC)C1 ZINC000931163002 640084675 /nfs/dbraw/zinc/08/46/75/640084675.db2.gz IGVMVJGSMWKZNU-RWMBFGLXSA-N 1 0 237.343 2.084 20 30 BEEDRO C#CCNC(NCc1cccs1)=[NH+]C(C)(C)C ZINC000912505594 640101705 /nfs/dbraw/zinc/10/17/05/640101705.db2.gz AEBCMUZSYODIIJ-UHFFFAOYSA-N 1 0 249.383 2.215 20 30 BEEDRO CCC[NH+]=C(NC[C@@H](C)SC)NC(C)(C)C ZINC000912509331 640101955 /nfs/dbraw/zinc/10/19/55/640101955.db2.gz CHCIGKQRDXYHTJ-SNVBAGLBSA-N 1 0 245.436 2.482 20 30 BEEDRO C=CCC1(NC(=O)C23CC[NH+](CC2)C3)CCCC1 ZINC000912520192 640107100 /nfs/dbraw/zinc/10/71/00/640107100.db2.gz CONSVBXTDGQIMD-UHFFFAOYSA-N 1 0 248.370 2.087 20 30 BEEDRO C=C(CC)C[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000931310063 640146490 /nfs/dbraw/zinc/14/64/90/640146490.db2.gz BMIUGCNNFLGSCS-ZIAGYGMSSA-N 1 0 222.376 2.226 20 30 BEEDRO C[NH+](C)C1(C)CCN(Cc2ccc(C#N)o2)CC1 ZINC000931353509 640164571 /nfs/dbraw/zinc/16/45/71/640164571.db2.gz DYKYAAYYKJKOPW-UHFFFAOYSA-N 1 0 247.342 2.067 20 30 BEEDRO C[C@H](CCC#N)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931460148 640217802 /nfs/dbraw/zinc/21/78/02/640217802.db2.gz DTZOTRDFMLQFOO-VHSXEESVSA-N 1 0 218.304 2.021 20 30 BEEDRO C=CCC1(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CCC1 ZINC000912910193 640238153 /nfs/dbraw/zinc/23/81/53/640238153.db2.gz LZPRPFWWMAZNHE-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2nccc(N)c2C1 ZINC000931518676 640250527 /nfs/dbraw/zinc/25/05/27/640250527.db2.gz QYSSVHPPCKZTOM-UHFFFAOYSA-N 1 0 231.343 2.378 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2snnc2C)C1 ZINC000931714839 640332045 /nfs/dbraw/zinc/33/20/45/640332045.db2.gz KOHVTHRKOAWFEN-WDEREUQCSA-N 1 0 235.356 2.253 20 30 BEEDRO N#CC1CCC(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)CC1 ZINC000931747312 640346000 /nfs/dbraw/zinc/34/60/00/640346000.db2.gz ZERDKWSHKSQVIN-IPOFZDNWSA-N 1 0 248.370 2.019 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)[C@@H]1CCC[C@H]1O ZINC000931745419 640346460 /nfs/dbraw/zinc/34/64/60/640346460.db2.gz OYUUPNISYBDJGC-NWINJMCUSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000931751321 640349505 /nfs/dbraw/zinc/34/95/05/640349505.db2.gz WVZHPBHZUABZJR-NSHDSACASA-N 1 0 209.333 2.188 20 30 BEEDRO CCCCCCNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000151241383 640349671 /nfs/dbraw/zinc/34/96/71/640349671.db2.gz UEPMVXVXDGDMNC-CYBMUJFWSA-N 1 0 241.379 2.040 20 30 BEEDRO CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000931774866 640367095 /nfs/dbraw/zinc/36/70/95/640367095.db2.gz OIVPNENXZWSGBD-GFCCVEGCSA-N 1 0 238.718 2.072 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)C)C[C@@H]1C ZINC000947071289 640371801 /nfs/dbraw/zinc/37/18/01/640371801.db2.gz SANQLFHUCQFKKI-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)C)C[C@H]1C ZINC000947071287 640372157 /nfs/dbraw/zinc/37/21/57/640372157.db2.gz SANQLFHUCQFKKI-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931921400 640389938 /nfs/dbraw/zinc/38/99/38/640389938.db2.gz FOKSHZBATNOZFF-JKSUJKDBSA-N 1 0 243.350 2.463 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC000932052814 640416489 /nfs/dbraw/zinc/41/64/89/640416489.db2.gz FCPTWJATQXPGJB-FVCCEPFGSA-N 1 0 237.343 2.082 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932105283 640427754 /nfs/dbraw/zinc/42/77/54/640427754.db2.gz TZCIYBNWPQWHBI-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932108389 640430217 /nfs/dbraw/zinc/43/02/17/640430217.db2.gz AZCYTDKGVZSTBU-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134030 640437111 /nfs/dbraw/zinc/43/71/11/640437111.db2.gz WCCHWQGTCDBGEE-KGLIPLIRSA-N 1 0 245.370 2.401 20 30 BEEDRO N#C[C@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC000932148440 640441141 /nfs/dbraw/zinc/44/11/41/640441141.db2.gz NQSVRVUYSYPRKA-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCC[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932242018 640454854 /nfs/dbraw/zinc/45/48/54/640454854.db2.gz OWRCJSFRGBOXSN-UHFFFAOYSA-N 1 0 235.331 2.209 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc(C)c1O ZINC000164760660 640505329 /nfs/dbraw/zinc/50/53/29/640505329.db2.gz CBXWRQDQVIDSAH-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932382007 640508697 /nfs/dbraw/zinc/50/86/97/640508697.db2.gz GZLLFCABEUXEGZ-KBPBESRZSA-N 1 0 232.327 2.059 20 30 BEEDRO C#CC[N@@H+](CCC[C@@H]1CCOC1)C(C)C ZINC000932384204 640510802 /nfs/dbraw/zinc/51/08/02/640510802.db2.gz NFNKHJBYUBXCAK-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)C(C)C ZINC000932383643 640511670 /nfs/dbraw/zinc/51/16/70/640511670.db2.gz JTALRMYZBAEVTL-QWRGUYRKSA-N 1 0 249.276 2.440 20 30 BEEDRO N#CCCOCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932385643 640512744 /nfs/dbraw/zinc/51/27/44/640512744.db2.gz LOBUDZXRGRLFHL-CQSZACIVSA-N 1 0 245.326 2.053 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](C)O ZINC000349332336 640514594 /nfs/dbraw/zinc/51/45/94/640514594.db2.gz NJBYWPQMNMBFJE-NWDGAFQWSA-N 1 0 235.327 2.110 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CCC(C)C)C(C)C ZINC000932387322 640515508 /nfs/dbraw/zinc/51/55/08/640515508.db2.gz GHGNFVIGHRVBNU-CYBMUJFWSA-N 1 0 211.349 2.127 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)CC1CCCC1)C(C)C ZINC000932388899 640517138 /nfs/dbraw/zinc/51/71/38/640517138.db2.gz ZNGZXAYLEIQAQL-AWEZNQCLSA-N 1 0 223.360 2.271 20 30 BEEDRO [NH2+]=C(NCCCC1CCCC1)NC1CC1 ZINC000195521977 640518293 /nfs/dbraw/zinc/51/82/93/640518293.db2.gz RPZKYGMFRKSUME-UHFFFAOYSA-N 1 0 209.337 2.024 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932440028 640526236 /nfs/dbraw/zinc/52/62/36/640526236.db2.gz JGUBCBHRWGZDJF-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(CC)o1)C(C)(C)C ZINC000932460807 640533469 /nfs/dbraw/zinc/53/34/69/640533469.db2.gz MTABHIFDOLIKMP-UHFFFAOYSA-N 1 0 220.316 2.471 20 30 BEEDRO C#CC[N@H+](Cc1cc[nH]c(=O)c1)C(C)(C)C ZINC000932462327 640535346 /nfs/dbraw/zinc/53/53/46/640535346.db2.gz VKRDRYUJWPXYAS-UHFFFAOYSA-N 1 0 218.300 2.021 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)nc(C)n1)C(C)(C)C ZINC000932461975 640536060 /nfs/dbraw/zinc/53/60/60/640536060.db2.gz NKLCLYCGHKVOKK-UHFFFAOYSA-N 1 0 231.343 2.327 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C(C)(C)C)C(C)(C)C ZINC000932463941 640538738 /nfs/dbraw/zinc/53/87/38/640538738.db2.gz QVAMXZKHXRTXPT-LLVKDONJSA-N 1 0 211.349 2.127 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165160382 640539576 /nfs/dbraw/zinc/53/95/76/640539576.db2.gz NGDKSWBZLBHKAG-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000932489960 640554708 /nfs/dbraw/zinc/55/47/08/640554708.db2.gz UILRNKQACWYJHR-BXUZGUMPSA-N 1 0 249.741 2.316 20 30 BEEDRO C=CCOCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000932624984 640588597 /nfs/dbraw/zinc/58/85/97/640588597.db2.gz SJWWMIFHQYBBRL-UHFFFAOYSA-N 1 0 227.323 2.403 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@H](C(=O)OCC)C1 ZINC000932650383 640599800 /nfs/dbraw/zinc/59/98/00/640599800.db2.gz XMQDEZOWOCAHPA-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@H+](C)C(C)C ZINC000932728234 640605657 /nfs/dbraw/zinc/60/56/57/640605657.db2.gz FSTBIYXCWKYMDL-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000224256471 640608570 /nfs/dbraw/zinc/60/85/70/640608570.db2.gz ZUXVVILWIADIOA-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO CC#CCC[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932820305 640614465 /nfs/dbraw/zinc/61/44/65/640614465.db2.gz NWIYJTRBWNINHB-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933163377 640672071 /nfs/dbraw/zinc/67/20/71/640672071.db2.gz BFNUEQJWHSQXAM-OCCSQVGLSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000166802324 640678702 /nfs/dbraw/zinc/67/87/02/640678702.db2.gz HXIJYDWPDCGRCA-YIZRAAEISA-N 1 0 225.254 2.100 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOC[C@H]2CC2CC2)CC1 ZINC000933214883 640683292 /nfs/dbraw/zinc/68/32/92/640683292.db2.gz OCOMIZVZTHSOEX-CYBMUJFWSA-N 1 0 234.343 2.181 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(CC)nn2)CCCCC1 ZINC000933263957 640692787 /nfs/dbraw/zinc/69/27/87/640692787.db2.gz QANQXXSPQYWYQL-UHFFFAOYSA-N 1 0 246.358 2.114 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)C2CC2)CCCCC1 ZINC000933266801 640693491 /nfs/dbraw/zinc/69/34/91/640693491.db2.gz YVYKGEWZTDEYLZ-CYBMUJFWSA-N 1 0 221.344 2.073 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCCO2)CCCCC1 ZINC000933267150 640694092 /nfs/dbraw/zinc/69/40/92/640694092.db2.gz BOGOJBFXBFKJLZ-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933286213 640696954 /nfs/dbraw/zinc/69/69/54/640696954.db2.gz ZWQVBFLWWXLNOO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCC1([NH2+]CCC[C@H]2CCOC2)CCC1 ZINC000933294760 640699482 /nfs/dbraw/zinc/69/94/82/640699482.db2.gz NTVURUFJRACKKD-ZDUSSCGKSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(N)c2)CCC1 ZINC000933296397 640700309 /nfs/dbraw/zinc/70/03/09/640700309.db2.gz FRAKSHPDMWMKOA-UHFFFAOYSA-N 1 0 214.312 2.304 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(C)ccn2)CCC1 ZINC000933296922 640700647 /nfs/dbraw/zinc/70/06/47/640700647.db2.gz RLWMOKXGJAWUGE-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(OC)cc(C)n2)CCC1 ZINC000933299740 640702898 /nfs/dbraw/zinc/70/28/98/640702898.db2.gz WILCDIROODCBII-UHFFFAOYSA-N 1 0 244.338 2.434 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)c2ccc(F)cc2)CCC1 ZINC000933304247 640703000 /nfs/dbraw/zinc/70/30/00/640703000.db2.gz JJMVOGBVLTXMBT-CQSZACIVSA-N 1 0 247.313 2.395 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC000933430781 640717598 /nfs/dbraw/zinc/71/75/98/640717598.db2.gz QCYAJPUOYRYMIB-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000933485986 640720698 /nfs/dbraw/zinc/72/06/98/640720698.db2.gz JMINMOZTXJQZHV-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CC1(C)CC[C@@H](CN2CCC[C@@H](C#N)C2)O1 ZINC000226020601 640723910 /nfs/dbraw/zinc/72/39/10/640723910.db2.gz CHZNVILSCJDKGV-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606586 640732091 /nfs/dbraw/zinc/73/20/91/640732091.db2.gz KRGSHPOBYDHAIQ-GFCCVEGCSA-N 1 0 244.338 2.118 20 30 BEEDRO CC[C@H](C)[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646826 640736900 /nfs/dbraw/zinc/73/69/00/640736900.db2.gz PVHAXPDYGUUWIJ-NSHDSACASA-N 1 0 223.316 2.123 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000167889000 640761312 /nfs/dbraw/zinc/76/13/12/640761312.db2.gz HCUBAEVCTAZQJE-JTQLQIEISA-N 1 0 215.724 2.430 20 30 BEEDRO CC(C)[C@@H](O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770426 640765246 /nfs/dbraw/zinc/76/52/46/640765246.db2.gz JHMFYDLFZDERNY-LBPRGKRZSA-N 1 0 238.356 2.068 20 30 BEEDRO CC1CC[NH+](CCN2CCC[C@H](CC#N)C2)CC1 ZINC000595620035 640826680 /nfs/dbraw/zinc/82/66/80/640826680.db2.gz JXGMMEIWJRWIKZ-OAHLLOKOSA-N 1 0 249.402 2.344 20 30 BEEDRO [NH2+]=C(NCc1ccccc1F)Nc1ccccn1 ZINC000170905861 640935368 /nfs/dbraw/zinc/93/53/68/640935368.db2.gz PBQIWWFSIWGEBG-UHFFFAOYSA-N 1 0 244.273 2.148 20 30 BEEDRO [NH2+]=C(NCCc1cccs1)Nc1ccccn1 ZINC000170906879 640936086 /nfs/dbraw/zinc/93/60/86/640936086.db2.gz GUXJCEAOTWZHGF-UHFFFAOYSA-N 1 0 246.339 2.112 20 30 BEEDRO C=C(Cl)C[N@H+](CCOC)CC(C)C ZINC000061189698 640936547 /nfs/dbraw/zinc/93/65/47/640936547.db2.gz FFJUHSNWJQOMPG-UHFFFAOYSA-N 1 0 205.729 2.343 20 30 BEEDRO [NH2+]=C(NCc1cccs1)Nc1ccccn1 ZINC000170905835 640936561 /nfs/dbraw/zinc/93/65/61/640936561.db2.gz NDLDNKPUCFHRPP-UHFFFAOYSA-N 1 0 232.312 2.070 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000229642641 640969960 /nfs/dbraw/zinc/96/99/60/640969960.db2.gz QVCAXUZWMHDCKX-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000229882482 640990448 /nfs/dbraw/zinc/99/04/48/640990448.db2.gz FQDLJHHNIWLEPB-GFCCVEGCSA-N 1 0 203.285 2.202 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cncs1 ZINC000934197503 641091987 /nfs/dbraw/zinc/09/19/87/641091987.db2.gz DBARFGNZVPGGIT-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+]C2(CCCC)CC2)C1=O ZINC000934203869 641101806 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ANSKGKYPGNSPFB-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001017298663 642969265 /nfs/dbraw/zinc/96/92/65/642969265.db2.gz FGVGZVJNYSCQDG-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CCC[NH+]1CCN(c2cccc(C)c2C)CC1 ZINC000070160785 642978817 /nfs/dbraw/zinc/97/88/17/642978817.db2.gz PFCZZAIUDINKAG-UHFFFAOYSA-N 1 0 242.366 2.449 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C(C)C)C1 ZINC001018904039 643014017 /nfs/dbraw/zinc/01/40/17/643014017.db2.gz SVXGZQAKIROGCO-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2C=CCCC2)C1 ZINC001019027683 643020400 /nfs/dbraw/zinc/02/04/00/643020400.db2.gz VGUGAIIESFXILM-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001019232148 643022968 /nfs/dbraw/zinc/02/29/68/643022968.db2.gz LPJTVGVPMUCFJV-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000070591596 643046280 /nfs/dbraw/zinc/04/62/80/643046280.db2.gz AJIDJYBMWUJGPH-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2coc(C)c2)C1 ZINC001020103436 643058857 /nfs/dbraw/zinc/05/88/57/643058857.db2.gz PUISWPMVGRXEHF-JOCQHMNTSA-N 1 0 248.326 2.015 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001020283675 643065804 /nfs/dbraw/zinc/06/58/04/643065804.db2.gz LMFABQMTTZWAFL-MGPQQGTHSA-N 1 0 248.370 2.156 20 30 BEEDRO C#CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000163134646 643089531 /nfs/dbraw/zinc/08/95/31/643089531.db2.gz XOXUIASZEONYSI-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO CCNC(NCC(C)(C)C(C)C)=[NH+]CC ZINC000187841097 643122940 /nfs/dbraw/zinc/12/29/40/643122940.db2.gz TXBUURYBPFEWDD-UHFFFAOYSA-N 1 0 213.369 2.244 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932382549 643191146 /nfs/dbraw/zinc/19/11/46/643191146.db2.gz ABRYMMDLPRGJRW-FZMZJTMJSA-N 1 0 245.326 2.051 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)c1ccccc1)C(C)C ZINC000932388838 643208383 /nfs/dbraw/zinc/20/83/83/643208383.db2.gz XJDGINUMNKXZMH-CQSZACIVSA-N 1 0 217.312 2.064 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000306728965 643224534 /nfs/dbraw/zinc/22/45/34/643224534.db2.gz CKVXQYGDJSTJCE-JTQLQIEISA-N 1 0 217.740 2.222 20 30 BEEDRO C#CCN(Cc1cscn1)C(C)(C)C ZINC000932466269 643272634 /nfs/dbraw/zinc/27/26/34/643272634.db2.gz XEHDUIOWRUTEGV-UHFFFAOYSA-N 1 0 208.330 2.377 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C)[C@H](C)C1 ZINC000944277998 643297408 /nfs/dbraw/zinc/29/74/08/643297408.db2.gz BLHCWUKUBHQIOD-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](C)NC(=O)CCC[NH+](CCC)CCC ZINC000185374073 643300555 /nfs/dbraw/zinc/30/05/55/643300555.db2.gz KGBOXJMXRCOACS-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(Cl)CN(CCOC)CC[NH+](CC)CC ZINC000175785717 643341598 /nfs/dbraw/zinc/34/15/98/643341598.db2.gz AGPXGDCKWGNHRA-UHFFFAOYSA-N 1 0 248.798 2.029 20 30 BEEDRO CC1(C)CC[C@@H](CNC(=[NH2+])Nc2ccccc2)O1 ZINC000186023536 643426879 /nfs/dbraw/zinc/42/68/79/643426879.db2.gz PNUJCIHJDRILRK-LBPRGKRZSA-N 1 0 247.342 2.371 20 30 BEEDRO C=C(Br)CSCC[NH+](C)C ZINC000307390263 643458647 /nfs/dbraw/zinc/45/86/47/643458647.db2.gz SBNPBUYIIPLBPT-UHFFFAOYSA-N 1 0 224.167 2.190 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC1CC1 ZINC001032321910 643502220 /nfs/dbraw/zinc/50/22/20/643502220.db2.gz ICHMJIYPXJZTIW-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000996883313 643534399 /nfs/dbraw/zinc/53/43/99/643534399.db2.gz SDORZVBTQRREDE-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CCCO1 ZINC000921527472 643586996 /nfs/dbraw/zinc/58/69/96/643586996.db2.gz NTYKAGVWBBWGSU-BXKDBHETSA-N 1 0 236.340 2.277 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)c1ccccc1 ZINC000085057413 643594842 /nfs/dbraw/zinc/59/48/42/643594842.db2.gz ASXGGZRCIYNGCQ-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCCOC2)cs1 ZINC000921571049 643612695 /nfs/dbraw/zinc/61/26/95/643612695.db2.gz BJRDTLCULAIEAQ-JTQLQIEISA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@@H](CC[NH+](C)C)NCc1csc(C#N)c1 ZINC000921618685 643623926 /nfs/dbraw/zinc/62/39/26/643623926.db2.gz KGBXVEPIZJBCID-JTQLQIEISA-N 1 0 237.372 2.050 20 30 BEEDRO C#CCC[NH+]1CCC(C(F)(F)F)CC1 ZINC000083890264 643629080 /nfs/dbraw/zinc/62/90/80/643629080.db2.gz MRKXZUFWQDPNQZ-UHFFFAOYSA-N 1 0 205.223 2.284 20 30 BEEDRO C=C(C)c1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000083911217 643631301 /nfs/dbraw/zinc/63/13/01/643631301.db2.gz IZHYGLOWTZMQKA-UHFFFAOYSA-N 1 0 218.300 2.396 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000971060962 643690501 /nfs/dbraw/zinc/69/05/01/643690501.db2.gz MXPQVOWVFSACPC-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO CCCCCCCCCN(C)C(=O)C[NH3+] ZINC000236633218 643695373 /nfs/dbraw/zinc/69/53/73/643695373.db2.gz YOLSHKWMGBPTNR-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO CCCCCCC[C@@H](C)CNC(=O)C[NH3+] ZINC000236639369 643696300 /nfs/dbraw/zinc/69/63/00/643696300.db2.gz UUDQXCDZMPMHFA-LLVKDONJSA-N 1 0 214.353 2.058 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC000998393338 643703420 /nfs/dbraw/zinc/70/34/20/643703420.db2.gz FESCFUKZQHDTQG-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000998905723 643726835 /nfs/dbraw/zinc/72/68/35/643726835.db2.gz ZLRMZCGMDKYYCD-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921683214 643735960 /nfs/dbraw/zinc/73/59/60/643735960.db2.gz LHHWGVWILPJXSD-UHFFFAOYSA-N 1 0 245.282 2.317 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921685149 643738330 /nfs/dbraw/zinc/73/83/30/643738330.db2.gz ZFXXAGUWRQCHKJ-UHFFFAOYSA-N 1 0 246.358 2.467 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCCOC1 ZINC000921704972 643757950 /nfs/dbraw/zinc/75/79/50/643757950.db2.gz IBOBAFUKOXCJBU-CQSZACIVSA-N 1 0 244.338 2.444 20 30 BEEDRO CC[C@](C)(O)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921705907 643759270 /nfs/dbraw/zinc/75/92/70/643759270.db2.gz ZRUWTLIRPVKQSN-HNNXBMFYSA-N 1 0 246.354 2.426 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000921735114 643766889 /nfs/dbraw/zinc/76/68/89/643766889.db2.gz XUGDZYCGXKEUSF-SKDRFNHKSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@]1(C[NH2+]Cc2csc(C#N)c2)CCOC1 ZINC000921735846 643766994 /nfs/dbraw/zinc/76/69/94/643766994.db2.gz CLSQNXKVFBVVFO-GFCCVEGCSA-N 1 0 236.340 2.136 20 30 BEEDRO CSC[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921756707 643773602 /nfs/dbraw/zinc/77/36/02/643773602.db2.gz JOWMOOONTRVSOG-MRVPVSSYSA-N 1 0 226.370 2.461 20 30 BEEDRO C[C@H]1C[C@H](NCc2csc(C#N)c2)CC[N@@H+]1C ZINC000921778867 643783125 /nfs/dbraw/zinc/78/31/25/643783125.db2.gz AUSBFDSJFGMAAE-CMPLNLGQSA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CCOC1 ZINC000921783089 643784397 /nfs/dbraw/zinc/78/43/97/643784397.db2.gz MWBIRFYZBZZFHF-GXSJLCMTSA-N 1 0 236.340 2.134 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000921794407 643790375 /nfs/dbraw/zinc/79/03/75/643790375.db2.gz UQIXADPFPRPUDY-UHFFFAOYSA-N 1 0 249.285 2.115 20 30 BEEDRO C#CCCC[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000921793986 643792159 /nfs/dbraw/zinc/79/21/59/643792159.db2.gz OWSYLOYHDIJZKR-UHFFFAOYSA-N 1 0 225.723 2.129 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)CCO ZINC000921801637 643796006 /nfs/dbraw/zinc/79/60/06/643796006.db2.gz MWVWEMILNPHLCS-LLVKDONJSA-N 1 0 246.354 2.283 20 30 BEEDRO C[C@@H]1CC[N@H+](CCNCc2csc(C#N)c2)C1 ZINC000921806221 643798114 /nfs/dbraw/zinc/79/81/14/643798114.db2.gz LZHVPOFRTRRPLJ-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC001002252693 643812389 /nfs/dbraw/zinc/81/23/89/643812389.db2.gz PEXHVEASKPALNM-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)CCO1 ZINC000921959351 643833602 /nfs/dbraw/zinc/83/36/02/643833602.db2.gz WHEACIYLNXLMFS-MWLCHTKSSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000921967313 643834927 /nfs/dbraw/zinc/83/49/27/643834927.db2.gz QQLXPOAZHYKQKX-XQQFMLRXSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)cnc1Cl ZINC000921982648 643836860 /nfs/dbraw/zinc/83/68/60/643836860.db2.gz ZKSPCMLVDGBONO-UHFFFAOYSA-N 1 0 240.734 2.336 20 30 BEEDRO N#Cc1cc(C[NH2+]CC[C@@H]2CCOC2)cs1 ZINC000921992054 643839680 /nfs/dbraw/zinc/83/96/80/643839680.db2.gz MXFNLHRMSOWZMO-SNVBAGLBSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1csc(C#N)c1 ZINC000921991936 643840476 /nfs/dbraw/zinc/84/04/76/643840476.db2.gz TVHGQMHEIXZRMX-CABZTGNLSA-N 1 0 236.340 2.277 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922010234 643844381 /nfs/dbraw/zinc/84/43/81/643844381.db2.gz YHHSXKGABCGDFO-OTDNITJGSA-N 1 0 236.340 2.036 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000922016490 643846489 /nfs/dbraw/zinc/84/64/89/643846489.db2.gz LKSAZKINBZXAJM-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(CCF)c1 ZINC000922091680 643860553 /nfs/dbraw/zinc/86/05/53/643860553.db2.gz LCLZKQQSLVVGJY-GFCCVEGCSA-N 1 0 225.311 2.297 20 30 BEEDRO N#Cc1cc(C[NH2+]CCCOC(F)F)cs1 ZINC000922108261 643862624 /nfs/dbraw/zinc/86/26/24/643862624.db2.gz DYCUDLCMRUCYOR-UHFFFAOYSA-N 1 0 246.282 2.339 20 30 BEEDRO C=CCSCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925352046 643883013 /nfs/dbraw/zinc/88/30/13/643883013.db2.gz NIGVTAWUUDHNSG-HIFPTAJRSA-N 1 0 241.400 2.453 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000922214993 643905857 /nfs/dbraw/zinc/90/58/57/643905857.db2.gz LTFDQBKYGFSFGY-GXTWGEPZSA-N 1 0 244.338 2.442 20 30 BEEDRO N#CC1(C[NH2+]Cc2cc[nH]c(=O)c2)CCCCC1 ZINC000922249604 643919953 /nfs/dbraw/zinc/91/99/53/643919953.db2.gz JMZXLNCKQOZNMV-UHFFFAOYSA-N 1 0 245.326 2.351 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1csc(C#N)c1 ZINC000922319853 643969500 /nfs/dbraw/zinc/96/95/00/643969500.db2.gz JOYGLTCNXAOEHM-ONGXEEELSA-N 1 0 238.356 2.259 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)ccc1C#N ZINC000922556535 644025894 /nfs/dbraw/zinc/02/58/94/644025894.db2.gz DNDIFNQBHUZLIB-IUODEOHRSA-N 1 0 243.354 2.049 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H]2CCN2C)c1 ZINC000922573520 644027448 /nfs/dbraw/zinc/02/74/48/644027448.db2.gz DKCWXEWMWKMBAL-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C#N ZINC000922582776 644033990 /nfs/dbraw/zinc/03/39/90/644033990.db2.gz XPUYEDZBCURWQO-NSHDSACASA-N 1 0 232.327 2.461 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2c(C)nnn2CC)CC1 ZINC000922711967 644074453 /nfs/dbraw/zinc/07/44/53/644074453.db2.gz UUJUPSZIYWXSKE-UHFFFAOYSA-N 1 0 248.374 2.442 20 30 BEEDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000922759312 644090065 /nfs/dbraw/zinc/09/00/65/644090065.db2.gz MMYVQBCLZVGESC-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO CCC[C@H](O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000922826181 644102465 /nfs/dbraw/zinc/10/24/65/644102465.db2.gz WKMKXALNHZLVQP-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)o2)CCCCO1 ZINC000922820456 644110294 /nfs/dbraw/zinc/11/02/94/644110294.db2.gz PNFOZTRYAFOZFK-ZDUSSCGKSA-N 1 0 234.299 2.200 20 30 BEEDRO C#CC[N@H+](C)CCCc1ccccc1C ZINC000192233488 644139960 /nfs/dbraw/zinc/13/99/60/644139960.db2.gz ISTMCXMHYFEMHK-UHFFFAOYSA-N 1 0 201.313 2.493 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1(C)OCCCO1 ZINC000192252841 644140962 /nfs/dbraw/zinc/14/09/62/644140962.db2.gz JBBYVBQPXPRRBK-UHFFFAOYSA-N 1 0 240.347 2.059 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCO[C@H]2CCOC2)C1 ZINC000922936328 644194764 /nfs/dbraw/zinc/19/47/64/644194764.db2.gz FXEZMGNPFPIXJX-RDBSUJKOSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCOCCOCC)C1 ZINC000922944733 644198039 /nfs/dbraw/zinc/19/80/39/644198039.db2.gz NMRCBBQKVZQVEX-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C#C[C@H](C)NC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000187048437 644201160 /nfs/dbraw/zinc/20/11/60/644201160.db2.gz FCSADMAPUZNWNK-NWDGAFQWSA-N 1 0 223.364 2.127 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(CC)nc2)CCC1 ZINC000922997610 644222491 /nfs/dbraw/zinc/22/24/91/644222491.db2.gz AHVQJMBANGUTBF-UHFFFAOYSA-N 1 0 229.327 2.075 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(C)on2)CCC1 ZINC000922998292 644222977 /nfs/dbraw/zinc/22/29/77/644222977.db2.gz IAZYMADJZDSFMB-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CCC1([NH2+]Cc2nc(C)ccc2O)CCC1 ZINC000922998519 644223295 /nfs/dbraw/zinc/22/32/95/644223295.db2.gz VUOBSKGKWDGVOV-UHFFFAOYSA-N 1 0 230.311 2.131 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(C)ns2)CCC1 ZINC000922999625 644223585 /nfs/dbraw/zinc/22/35/85/644223585.db2.gz UVPMMHHSIMVQDZ-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(OC)cnc2F)CCC1 ZINC000922999110 644224393 /nfs/dbraw/zinc/22/43/93/644224393.db2.gz PWYRTFNGSYIZNA-UHFFFAOYSA-N 1 0 248.301 2.265 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923006559 644225770 /nfs/dbraw/zinc/22/57/70/644225770.db2.gz CCZAEOJRULHAMB-MQMHXKEQSA-N 1 0 247.338 2.112 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193626754 644262446 /nfs/dbraw/zinc/26/24/46/644262446.db2.gz FOJJVOKXRDAUEF-RYUDHWBXSA-N 1 0 226.364 2.071 20 30 BEEDRO CCC(O)(CC)C[NH2+]CC#Cc1ccccc1 ZINC000087028312 644484883 /nfs/dbraw/zinc/48/48/83/644484883.db2.gz QGCYLVUIBZQWQC-UHFFFAOYSA-N 1 0 231.339 2.179 20 30 BEEDRO N#Cc1c(F)cccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089092331 644533907 /nfs/dbraw/zinc/53/39/07/644533907.db2.gz HHRNBOQMNHMEBZ-SKDRFNHKSA-N 1 0 233.290 2.237 20 30 BEEDRO CCCCCCC[N@H+](C)CC(=O)NCC ZINC000740875078 644560328 /nfs/dbraw/zinc/56/03/28/644560328.db2.gz CTENEWXGXQGLSM-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H]2CCOC2)cc1 ZINC000090774561 644605740 /nfs/dbraw/zinc/60/57/40/644605740.db2.gz SDCZJBKSIWVUPR-JSGCOSHPSA-N 1 0 245.322 2.138 20 30 BEEDRO C=CC[N@@H+](Cc1ccnc(OC)c1)C(C)C ZINC000762921013 644652763 /nfs/dbraw/zinc/65/27/63/644652763.db2.gz ZQNTZXOLEHZJMM-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO C=CC[N@@H+](CCn1ccnc1C)C(C)C ZINC000766240036 644664894 /nfs/dbraw/zinc/66/48/94/644664894.db2.gz UEHSPRVNTPVMHF-UHFFFAOYSA-N 1 0 207.321 2.088 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001017319453 644669278 /nfs/dbraw/zinc/66/92/78/644669278.db2.gz QFRZIJBFFMLHKB-OKILXGFUSA-N 1 0 248.370 2.204 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000775184073 644701094 /nfs/dbraw/zinc/70/10/94/644701094.db2.gz VCTKDLYEFWSDNK-LLVKDONJSA-N 1 0 233.311 2.244 20 30 BEEDRO C[C@H]1CNC(NN=C2CCC(C)(C)C[C@@H]2C)=[NH+]1 ZINC000779798655 644714737 /nfs/dbraw/zinc/71/47/37/644714737.db2.gz DLZQTTVACMZLTA-UWVGGRQHSA-N 1 0 236.363 2.126 20 30 BEEDRO CCC(=NNC1=[NH+][C@@H](C)CN1)C1CCCCC1 ZINC000779797986 644715537 /nfs/dbraw/zinc/71/55/37/644715537.db2.gz MDHYEZBAGKGSBM-JTQLQIEISA-N 1 0 236.363 2.270 20 30 BEEDRO CC(=CN=NC1=[NH+]C[C@H](C)N1)Cc1ccccc1 ZINC000779805726 644718536 /nfs/dbraw/zinc/71/85/36/644718536.db2.gz RCKMIPPZANTFOF-FRFRXBIYSA-N 1 0 242.326 2.013 20 30 BEEDRO CC[C@H](CCO)C[NH2+]CC#Cc1ccccc1 ZINC000094953582 644733938 /nfs/dbraw/zinc/73/39/38/644733938.db2.gz IMMRTHGHENWTJD-CQSZACIVSA-N 1 0 231.339 2.036 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000783520072 644755512 /nfs/dbraw/zinc/75/55/12/644755512.db2.gz ZEAYPLIPVWSJDP-GFCCVEGCSA-N 1 0 232.327 2.024 20 30 BEEDRO CCCCCCCN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000250843447 644781847 /nfs/dbraw/zinc/78/18/47/644781847.db2.gz ZAOXYIRJULEMKM-STQMWFEESA-N 1 0 228.380 2.005 20 30 BEEDRO C#CC[N@H+](CC#CC)CC1(OC)CCCCC1 ZINC000792164724 644792566 /nfs/dbraw/zinc/79/25/66/644792566.db2.gz CRNQHQNVJGOCSD-UHFFFAOYSA-N 1 0 233.355 2.294 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303260449 644813436 /nfs/dbraw/zinc/81/34/36/644813436.db2.gz NCLUVWCJDHQLHW-JQWIXIFHSA-N 1 0 231.343 2.029 20 30 BEEDRO C=CCCCN(CC=C)CC(=O)OCC ZINC000096687064 644831645 /nfs/dbraw/zinc/83/16/45/644831645.db2.gz FZTQQCXWABBEEV-UHFFFAOYSA-N 1 0 211.305 2.004 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCCc2ccccc2)C1 ZINC000303718489 644840941 /nfs/dbraw/zinc/84/09/41/644840941.db2.gz VBHNMFRFYQLLPO-CYBMUJFWSA-N 1 0 245.370 2.276 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccc(F)cc2)C1 ZINC000303721248 644842471 /nfs/dbraw/zinc/84/24/71/644842471.db2.gz XKHKBGLODARTFG-NSHDSACASA-N 1 0 249.333 2.372 20 30 BEEDRO [NH2+]=C(NCc1cccc(F)c1)N1CCCCC1 ZINC000303780484 644845645 /nfs/dbraw/zinc/84/56/45/644845645.db2.gz LKYWJFMFCKSXPX-UHFFFAOYSA-N 1 0 235.306 2.126 20 30 BEEDRO CC[C@H](CNC(=[NH2+])NC(C)C)c1ccccc1 ZINC000303790806 644845951 /nfs/dbraw/zinc/84/59/51/644845951.db2.gz WWRNJUQDPLYCEC-GFCCVEGCSA-N 1 0 233.359 2.493 20 30 BEEDRO CC(C)NC(=[NH2+])NCCCOC1CCCCC1 ZINC000303781463 644846165 /nfs/dbraw/zinc/84/61/65/644846165.db2.gz MHYWBTZHYRKOIB-UHFFFAOYSA-N 1 0 241.379 2.039 20 30 BEEDRO Cc1ccsc1CNC(=[NH2+])NCC1CCC1 ZINC000303776898 644846248 /nfs/dbraw/zinc/84/62/48/644846248.db2.gz IBTXMHMXWNUEGS-UHFFFAOYSA-N 1 0 237.372 2.261 20 30 BEEDRO CCCCNC(=[NH2+])NCCOc1cccc(C)c1 ZINC000303780401 644846870 /nfs/dbraw/zinc/84/68/70/644846870.db2.gz LHZRZFQZYDVMQT-UHFFFAOYSA-N 1 0 249.358 2.078 20 30 BEEDRO CC(C)NC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303894653 644856299 /nfs/dbraw/zinc/85/62/99/644856299.db2.gz SQOIIXJXBYNWIW-UHFFFAOYSA-N 1 0 231.299 2.246 20 30 BEEDRO COC[C@H](C)NC(=[NH2+])NCCCCC(C)(C)C ZINC000303975541 644861198 /nfs/dbraw/zinc/86/11/98/644861198.db2.gz JEEDTBSFMLPYLX-NSHDSACASA-N 1 0 243.395 2.142 20 30 BEEDRO C=C(Cl)C[N@@H+](CCCO)CC(C)(C)C ZINC000303985032 644863740 /nfs/dbraw/zinc/86/37/40/644863740.db2.gz HYFUZJBCTYDNKP-UHFFFAOYSA-N 1 0 219.756 2.469 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000304242397 644880101 /nfs/dbraw/zinc/88/01/01/644880101.db2.gz OEHJTOBOHPHAAP-UPJWGTAASA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000304242394 644880383 /nfs/dbraw/zinc/88/03/83/644880383.db2.gz OEHJTOBOHPHAAP-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)(C)[C@@H]1CCC[N@H+](C[C@H](O)CC#N)CC1 ZINC000809574479 644894640 /nfs/dbraw/zinc/89/46/40/644894640.db2.gz LKFFUZNPICDEAQ-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CCO[C@@H](CCNC(=[NH2+])N[C@@H](C)CC)C(C)C ZINC000304429679 644904716 /nfs/dbraw/zinc/90/47/16/644904716.db2.gz MUZQMJQOJONXRF-RYUDHWBXSA-N 1 0 243.395 2.140 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304462671 644908356 /nfs/dbraw/zinc/90/83/56/644908356.db2.gz BRXZMAQLXBKZSX-KBPBESRZSA-N 1 0 243.354 2.271 20 30 BEEDRO CCC(CC)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304751445 644927959 /nfs/dbraw/zinc/92/79/59/644927959.db2.gz JGWOJIPMXPVINX-LLVKDONJSA-N 1 0 225.380 2.469 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304758200 644930658 /nfs/dbraw/zinc/93/06/58/644930658.db2.gz PRQJNHPZDIPBLS-CHWSQXEVSA-N 1 0 231.343 2.104 20 30 BEEDRO CCc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000304755666 644931259 /nfs/dbraw/zinc/93/12/59/644931259.db2.gz MZVXYHBPQYFSIP-UHFFFAOYSA-N 1 0 245.370 2.453 20 30 BEEDRO CCCCNC(=[NH2+])NCC1(C)CCCC1 ZINC000304760171 644931641 /nfs/dbraw/zinc/93/16/41/644931641.db2.gz SBPBNGPKLKWXAO-UHFFFAOYSA-N 1 0 211.353 2.271 20 30 BEEDRO CCC1(CNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000304780505 644932526 /nfs/dbraw/zinc/93/25/26/644932526.db2.gz FVTUZEZVTPOKKI-UHFFFAOYSA-N 1 0 245.370 2.324 20 30 BEEDRO CCC(CC)CNC(=[NH2+])NCCC(C)C ZINC000304765115 644932940 /nfs/dbraw/zinc/93/29/40/644932940.db2.gz YWORHPVGGITAHT-UHFFFAOYSA-N 1 0 213.369 2.373 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CNCCO1 ZINC000817984178 644995564 /nfs/dbraw/zinc/99/55/64/644995564.db2.gz VTLHVIDRXXSGSW-KBPBESRZSA-N 1 0 240.391 2.089 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cc(F)ncc1F ZINC000827236518 645074876 /nfs/dbraw/zinc/07/48/76/645074876.db2.gz CSUFYKJVLJKDFU-UHFFFAOYSA-N 1 0 242.269 2.042 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000829778923 645110375 /nfs/dbraw/zinc/11/03/75/645110375.db2.gz KLOHCBUDFXUCAB-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2CCC(C)(C)O2)CC1 ZINC000830345574 645120483 /nfs/dbraw/zinc/12/04/83/645120483.db2.gz JBAMAXVYCVSRMB-ZDUSSCGKSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](CC(C)C)OC)CC1 ZINC000830352030 645121552 /nfs/dbraw/zinc/12/15/52/645121552.db2.gz YXEUJRQTVQBIKY-CQSZACIVSA-N 1 0 223.360 2.393 20 30 BEEDRO Nc1ccc2c(c1)CCC2=[NH+]N[C@@H]1CCSC1 ZINC000834978674 645153909 /nfs/dbraw/zinc/15/39/09/645153909.db2.gz BIRZGKSVRKJMSB-LLVKDONJSA-N 1 0 247.367 2.014 20 30 BEEDRO CCN(C)c1ccc(C=[NH+]OC(C)C)cn1 ZINC000835002753 645157163 /nfs/dbraw/zinc/15/71/63/645157163.db2.gz NORNDFNIDAPRFV-UHFFFAOYSA-N 1 0 221.304 2.297 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCC=C(C)C ZINC000836793730 645176489 /nfs/dbraw/zinc/17/64/89/645176489.db2.gz YYJNKTUTMZZVKN-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO CCCCCCCCNC(=O)N(C)CCC[NH3+] ZINC000841863483 645233110 /nfs/dbraw/zinc/23/31/10/645233110.db2.gz BSTKDPKNWSWHCV-UHFFFAOYSA-N 1 0 243.395 2.337 20 30 BEEDRO CCCCCCCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000841864900 645235724 /nfs/dbraw/zinc/23/57/24/645235724.db2.gz UOGSOFBACZZGLM-GFCCVEGCSA-N 1 0 243.395 2.336 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926523555 645252319 /nfs/dbraw/zinc/25/23/19/645252319.db2.gz ZPAFDKVFIMEPPL-UWVGGRQHSA-N 1 0 220.320 2.086 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccns1 ZINC000926528084 645255913 /nfs/dbraw/zinc/25/59/13/645255913.db2.gz VAAJENZYJKDNCZ-AEJSXWLSSA-N 1 0 224.329 2.137 20 30 BEEDRO C[C@H](C[C@@H](O)c1ccccc1)[NH2+]CCC#N ZINC000843093551 645264600 /nfs/dbraw/zinc/26/46/00/645264600.db2.gz RFGISBVPLDAJHI-DGCLKSJQSA-N 1 0 218.300 2.002 20 30 BEEDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000926569307 645290266 /nfs/dbraw/zinc/29/02/66/645290266.db2.gz QEUPADXMCZHSJO-GDNZZTSVSA-N 1 0 224.348 2.187 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926572841 645292500 /nfs/dbraw/zinc/29/25/00/645292500.db2.gz QPDLQXOZKHJVAU-TUAOUCFPSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000926597275 645306656 /nfs/dbraw/zinc/30/66/56/645306656.db2.gz VVXPHUVUZINWLZ-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CCC1 ZINC000926623748 645319761 /nfs/dbraw/zinc/31/97/61/645319761.db2.gz FWTFGNORYTVRKZ-HZSPNIEDSA-N 1 0 248.370 2.475 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)c1cc[nH]c(=O)c1 ZINC000926624061 645319771 /nfs/dbraw/zinc/31/97/71/645319771.db2.gz HDWZGTRHHBCQRO-SNVBAGLBSA-N 1 0 231.299 2.132 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+]CC3(C#N)CCC3)C2)CO1 ZINC000926624112 645320366 /nfs/dbraw/zinc/32/03/66/645320366.db2.gz HSSTUFMXBFTPRK-LKSINWNRSA-N 1 0 234.343 2.227 20 30 BEEDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000926623167 645321616 /nfs/dbraw/zinc/32/16/16/645321616.db2.gz BTMLBLZGBRTURF-CHWSQXEVSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CO)[C@H](C)CCC ZINC000844380680 645324812 /nfs/dbraw/zinc/32/48/12/645324812.db2.gz WDFKOUADJCMQES-PSASIEDQSA-N 1 0 205.729 2.126 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000926647174 645334196 /nfs/dbraw/zinc/33/41/96/645334196.db2.gz RXFIKVNJZJRWIH-QCNOEVLYSA-N 1 0 222.332 2.224 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000926680835 645351845 /nfs/dbraw/zinc/35/18/45/645351845.db2.gz SJIMAKPHWLSCHH-SLEUVZQESA-N 1 0 244.338 2.114 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926685028 645355107 /nfs/dbraw/zinc/35/51/07/645355107.db2.gz JWKSEERASIRCNB-NSHDSACASA-N 1 0 219.332 2.446 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926701628 645367312 /nfs/dbraw/zinc/36/73/12/645367312.db2.gz BQRJHCIOLKQRKC-UONOGXRCSA-N 1 0 241.375 2.230 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926710482 645374583 /nfs/dbraw/zinc/37/45/83/645374583.db2.gz JZRGVASKOGINOC-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000926715852 645377884 /nfs/dbraw/zinc/37/78/84/645377884.db2.gz VQGXACSYGVJUTO-UTUOFQBUSA-N 1 0 236.359 2.208 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)c1cnn(C)n1 ZINC000926749565 645400256 /nfs/dbraw/zinc/40/02/56/645400256.db2.gz ZWBSKZDYAWUCKH-SNVBAGLBSA-N 1 0 222.336 2.068 20 30 BEEDRO CCOC(C[N@H+](CC)CCCC#N)OCC ZINC000846968263 645408503 /nfs/dbraw/zinc/40/85/03/645408503.db2.gz IBOHNUMVHJSRCD-UHFFFAOYSA-N 1 0 228.336 2.011 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC[C@H](O)c1ccccc1 ZINC000846979730 645410976 /nfs/dbraw/zinc/41/09/76/645410976.db2.gz CNMQWGFNWDOALV-KBPBESRZSA-N 1 0 232.327 2.392 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000847017995 645417056 /nfs/dbraw/zinc/41/70/56/645417056.db2.gz GRKGVYPDYXHQGF-NSHDSACASA-N 1 0 220.341 2.031 20 30 BEEDRO CCCCCCCC[N@@H+]1CCn2nncc2C1 ZINC000847028427 645421078 /nfs/dbraw/zinc/42/10/78/645421078.db2.gz SWYFWNKWFCBREJ-UHFFFAOYSA-N 1 0 236.363 2.454 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)OCCCC)C1 ZINC000847031249 645422013 /nfs/dbraw/zinc/42/20/13/645422013.db2.gz STUWINRIAOWDKP-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000848924569 645442521 /nfs/dbraw/zinc/44/25/21/645442521.db2.gz VNENAHAHYRQVHM-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926820353 645443062 /nfs/dbraw/zinc/44/30/62/645443062.db2.gz FBIIRFORFCKTIE-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000848924726 645444208 /nfs/dbraw/zinc/44/42/08/645444208.db2.gz YXGAJLQVYQUGSH-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)C#N ZINC000926874550 645449122 /nfs/dbraw/zinc/44/91/22/645449122.db2.gz QQDCBHPLHSNSCF-SNVBAGLBSA-N 1 0 207.321 2.454 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000849330358 645449251 /nfs/dbraw/zinc/44/92/51/645449251.db2.gz PMGGRBYMWFLAMM-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000926861852 645460845 /nfs/dbraw/zinc/46/08/45/645460845.db2.gz CQCPKIGEYABFKX-MJBXVCDLSA-N 1 0 243.391 2.233 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(C#N)CC1 ZINC000926872769 645467085 /nfs/dbraw/zinc/46/70/85/645467085.db2.gz AGLYBBCBTHBSMB-SNVBAGLBSA-N 1 0 205.305 2.208 20 30 BEEDRO C#CCC[N@@H+]1[C@H](C)[C@H](C(=O)OCC)CC[C@@H]1C ZINC000852204605 645473432 /nfs/dbraw/zinc/47/34/32/645473432.db2.gz UFGIBLDPOXADQT-YNEHKIRRSA-N 1 0 237.343 2.062 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000852467990 645485491 /nfs/dbraw/zinc/48/54/91/645485491.db2.gz JOYCGMIXKBKFIX-TYNCELHUSA-N 1 0 244.338 2.233 20 30 BEEDRO C=C(Cl)CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000852749329 645487181 /nfs/dbraw/zinc/48/71/81/645487181.db2.gz KOKHFCOKECRXMR-VXGBXAGGSA-N 1 0 228.767 2.203 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000926916837 645487362 /nfs/dbraw/zinc/48/73/62/645487362.db2.gz TWNHYGYLYCGRBT-XJFOESAGSA-N 1 0 234.343 2.227 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000926916836 645488499 /nfs/dbraw/zinc/48/84/99/645488499.db2.gz TWNHYGYLYCGRBT-REWJHTLYSA-N 1 0 234.343 2.227 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000926948223 645496132 /nfs/dbraw/zinc/49/61/32/645496132.db2.gz IUONVOFVBXQGET-XFWSIPNHSA-N 1 0 232.249 2.467 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926963429 645502341 /nfs/dbraw/zinc/50/23/41/645502341.db2.gz FEWLTOVDNWPGIA-NWDGAFQWSA-N 1 0 232.327 2.380 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926980366 645505629 /nfs/dbraw/zinc/50/56/29/645505629.db2.gz PWHSXLZQKROQEM-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO CCC[C@H](O)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000927020692 645509532 /nfs/dbraw/zinc/50/95/32/645509532.db2.gz YMLVNDJTLODEJR-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1CC2(C1)OCCO2 ZINC000927004270 645510109 /nfs/dbraw/zinc/51/01/09/645510109.db2.gz HQBLIYMWBLUYPR-CYBMUJFWSA-N 1 0 239.359 2.474 20 30 BEEDRO CCC[C@H](O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000927020690 645510488 /nfs/dbraw/zinc/51/04/88/645510488.db2.gz YMLVNDJTLODEJR-AGIUHOORSA-N 1 0 224.348 2.209 20 30 BEEDRO Cc1ccc(NCC[NH2+][C@@H]2CC[C@@H](C#N)C2)nc1 ZINC000927072209 645538306 /nfs/dbraw/zinc/53/83/06/645538306.db2.gz ZGPIIOLVQKBTCZ-CHWSQXEVSA-N 1 0 244.342 2.084 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000857237807 645541098 /nfs/dbraw/zinc/54/10/98/645541098.db2.gz UFSDLAUVPLLEED-IJLUTSLNSA-N 1 0 224.348 2.065 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC000927122731 645557252 /nfs/dbraw/zinc/55/72/52/645557252.db2.gz RBOUIAUPUIBOQA-LOWDOPEQSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C[C@H](CO)C1 ZINC000927146337 645569714 /nfs/dbraw/zinc/56/97/14/645569714.db2.gz VSAXDCYUSKCGGS-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927162018 645579601 /nfs/dbraw/zinc/57/96/01/645579601.db2.gz BDIVWUGJUHMVAP-GFCCVEGCSA-N 1 0 244.342 2.143 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2conc2CC)C1 ZINC000862446815 645697805 /nfs/dbraw/zinc/69/78/05/645697805.db2.gz FRNLTKBBOIKRBO-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000863553270 645704271 /nfs/dbraw/zinc/70/42/71/645704271.db2.gz YKDVNXWNLLDRNR-NEPJUHHUSA-N 1 0 238.375 2.313 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCCO2)CC1 ZINC000872138953 645765061 /nfs/dbraw/zinc/76/50/61/645765061.db2.gz CAHPBLUTKQGLJR-XUXIUFHCSA-N 1 0 221.344 2.336 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000877049192 645788058 /nfs/dbraw/zinc/78/80/58/645788058.db2.gz RMJHDOAKJYMSGI-ZYHUDNBSSA-N 1 0 238.356 2.311 20 30 BEEDRO C#CC[N@H+](Cc1ccc2nccnc2c1)C1CC1 ZINC000877372058 645794092 /nfs/dbraw/zinc/79/40/92/645794092.db2.gz UGJJYWFODLCJJB-UHFFFAOYSA-N 1 0 237.306 2.227 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2ccns2)C1 ZINC000877605717 645801325 /nfs/dbraw/zinc/80/13/25/645801325.db2.gz WQIFTABAXKFIJN-LLVKDONJSA-N 1 0 220.341 2.378 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(OC)cnc2F)C1 ZINC000877649943 645804309 /nfs/dbraw/zinc/80/43/09/645804309.db2.gz BGCUMMDOKJYPAN-LLVKDONJSA-N 1 0 248.301 2.075 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC000877650852 645805646 /nfs/dbraw/zinc/80/56/46/645805646.db2.gz OMJHBBVLLVFJPT-UONOGXRCSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000877651131 645806466 /nfs/dbraw/zinc/80/64/66/645806466.db2.gz RXQIOZBRAKHNEI-YIYPIFLZSA-N 1 0 203.329 2.378 20 30 BEEDRO C=CC[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000930174867 645815153 /nfs/dbraw/zinc/81/51/53/645815153.db2.gz FBBDIEBBADLMIC-UHFFFAOYSA-N 1 0 213.284 2.104 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878491261 645815341 /nfs/dbraw/zinc/81/53/41/645815341.db2.gz XTFOFFSTFNRVAZ-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC[C@@H](O)C(C)C)C1 ZINC000878762232 645823929 /nfs/dbraw/zinc/82/39/29/645823929.db2.gz YWXYLSDXQQCXIE-ZIAGYGMSSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000883124326 645849600 /nfs/dbraw/zinc/84/96/00/645849600.db2.gz DGLVAEKRPJJRDB-MRXNPFEDSA-N 1 0 243.350 2.039 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000886355574 645885421 /nfs/dbraw/zinc/88/54/21/645885421.db2.gz KIFFCMUHTOXJBP-DOMZBBRYSA-N 1 0 247.313 2.204 20 30 BEEDRO CC[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000035055474 645905328 /nfs/dbraw/zinc/90/53/28/645905328.db2.gz GUZQYKZAQKJFKL-LLVKDONJSA-N 1 0 218.300 2.477 20 30 BEEDRO C[C@H](C1CCCCC1)[N@H+](C)C[C@H](O)CC#N ZINC000930352026 645955000 /nfs/dbraw/zinc/95/50/00/645955000.db2.gz XGDSBNPIJRNVGO-DGCLKSJQSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000929153836 645977182 /nfs/dbraw/zinc/97/71/82/645977182.db2.gz BXMNLSQRZACDGL-CYBMUJFWSA-N 1 0 236.359 2.060 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000929215823 646015422 /nfs/dbraw/zinc/01/54/22/646015422.db2.gz SURIRKWCNPNRRV-CQSZACIVSA-N 1 0 244.338 2.132 20 30 BEEDRO COCC[N@H+](C)Cc1cc(Cl)cc(C#N)c1 ZINC000929318779 646076591 /nfs/dbraw/zinc/07/65/91/646076591.db2.gz BYLPWFCKAKMUNV-UHFFFAOYSA-N 1 0 238.718 2.290 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)C2(Cl)CC2)CC1 ZINC000924984933 646148746 /nfs/dbraw/zinc/14/87/46/646148746.db2.gz YSSVXJIWZITTSN-NSHDSACASA-N 1 0 242.794 2.386 20 30 BEEDRO C=C1CC[NH+](C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000929603106 646195341 /nfs/dbraw/zinc/19/53/41/646195341.db2.gz FUNGFJYVYUUBJW-JTQLQIEISA-N 1 0 237.265 2.342 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCc2oc(C)nc21 ZINC000925163009 646196858 /nfs/dbraw/zinc/19/68/58/646196858.db2.gz YQSJNUYTNOXQKZ-LLVKDONJSA-N 1 0 218.300 2.363 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C)nnc2C)CC1 ZINC000929617232 646201681 /nfs/dbraw/zinc/20/16/81/646201681.db2.gz FWTNDNWCXLRENZ-UHFFFAOYSA-N 1 0 231.343 2.491 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)c2ncccn2)CC1 ZINC000929617277 646201816 /nfs/dbraw/zinc/20/18/16/646201816.db2.gz HKWXSHXYDBWYNL-NSHDSACASA-N 1 0 217.316 2.436 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)CC#N)CC1CCCCC1 ZINC000929623933 646205903 /nfs/dbraw/zinc/20/59/03/646205903.db2.gz FQDDVUWDQVJKFG-CQSZACIVSA-N 1 0 236.359 2.329 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000925255502 646220530 /nfs/dbraw/zinc/22/05/30/646220530.db2.gz FNZHNAZNRQTSCL-QWRGUYRKSA-N 1 0 219.332 2.445 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925258256 646223144 /nfs/dbraw/zinc/22/31/44/646223144.db2.gz UBKSCMBKXDBIQA-AVGNSLFASA-N 1 0 208.349 2.167 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925262104 646223285 /nfs/dbraw/zinc/22/32/85/646223285.db2.gz GCNJKHDHBSDUGL-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)C1(Br)CC1 ZINC000925265005 646225934 /nfs/dbraw/zinc/22/59/34/646225934.db2.gz YAOYRPZFGYGJMP-HTQZYQBOSA-N 1 0 218.138 2.467 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCO[C@@H]1CCOC1 ZINC000929693439 646248663 /nfs/dbraw/zinc/24/86/63/646248663.db2.gz DGUFQXITRRUMHX-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929693286 646250273 /nfs/dbraw/zinc/25/02/73/646250273.db2.gz PHMZGACHPDFZGY-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925436937 646281022 /nfs/dbraw/zinc/28/10/22/646281022.db2.gz IMKPNRZSODZBOL-VXGBXAGGSA-N 1 0 228.767 2.345 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000925456563 646286290 /nfs/dbraw/zinc/28/62/90/646286290.db2.gz YIXYUZJFVWLOJE-VIFPVBQESA-N 1 0 238.356 2.308 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](CCO)C1CC1 ZINC000925462343 646287286 /nfs/dbraw/zinc/28/72/86/646287286.db2.gz VJEJCQFEDFYHKZ-CMPLNLGQSA-N 1 0 224.348 2.065 20 30 BEEDRO CCC[C@@]1(C)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000929758338 646292483 /nfs/dbraw/zinc/29/24/83/646292483.db2.gz DUECAEXDQNKDII-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000925525669 646317598 /nfs/dbraw/zinc/31/75/98/646317598.db2.gz DAXVMNJUCUWJPO-NSHDSACASA-N 1 0 234.347 2.061 20 30 BEEDRO C=C(Cl)CN[C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925567408 646338091 /nfs/dbraw/zinc/33/80/91/646338091.db2.gz DCIGRNTUEHEURH-OLZOCXBDSA-N 1 0 242.794 2.497 20 30 BEEDRO CC1(O)CC[NH+](CC2CCC(C#N)CC2)CC1 ZINC000929838018 646352310 /nfs/dbraw/zinc/35/23/10/646352310.db2.gz QPAMKQDNUIIIGY-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCCOCCN[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925625175 646371356 /nfs/dbraw/zinc/37/13/56/646371356.db2.gz GKCXMMCYLRBGPI-DZGCQCFKSA-N 1 0 248.370 2.257 20 30 BEEDRO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000929963201 646378233 /nfs/dbraw/zinc/37/82/33/646378233.db2.gz WZHWTXFVZSXTOQ-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000929963196 646378854 /nfs/dbraw/zinc/37/88/54/646378854.db2.gz WZHWTXFVZSXTOQ-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCCCCC[NH2+][C@@H]1CNCCOC1 ZINC000925669590 646400324 /nfs/dbraw/zinc/40/03/24/646400324.db2.gz VXHZGUIIHAULDN-CQSZACIVSA-N 1 0 240.391 2.091 20 30 BEEDRO C[C@@H](CO)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000930084654 646427294 /nfs/dbraw/zinc/42/72/94/646427294.db2.gz AFOBTXLVNCNOAM-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[C@@H]1C[C@H]1C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000930114827 646440995 /nfs/dbraw/zinc/44/09/95/646440995.db2.gz KHYCEOKLSPZIOE-QLFBSQMISA-N 1 0 249.402 2.198 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000930147808 646459232 /nfs/dbraw/zinc/45/92/32/646459232.db2.gz XXNUXCISWGGEQZ-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000930163460 646467366 /nfs/dbraw/zinc/46/73/66/646467366.db2.gz QXRCYBBYAAQTFL-UHFFFAOYSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC#N)c1ccc(C)cc1 ZINC000930183671 646482762 /nfs/dbraw/zinc/48/27/62/646482762.db2.gz QKDUVNGQSAYNGD-KGLIPLIRSA-N 1 0 232.327 2.310 20 30 BEEDRO N#CCCc1ccc(N[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000925822776 646497241 /nfs/dbraw/zinc/49/72/41/646497241.db2.gz OJXYYXBAJQTFEE-ZIAGYGMSSA-N 1 0 229.327 2.434 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1C(C)(C)C ZINC000925979074 646551295 /nfs/dbraw/zinc/55/12/95/646551295.db2.gz IRUYATGCGSONCZ-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926114712 646575664 /nfs/dbraw/zinc/57/56/64/646575664.db2.gz GOIMDPZPYLCRAK-UHFFFAOYSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926113844 646576278 /nfs/dbraw/zinc/57/62/78/646576278.db2.gz BHDIREYYOVDZCY-YNEHKIRRSA-N 1 0 207.317 2.133 20 30 BEEDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CCCC#N ZINC000926131243 646580911 /nfs/dbraw/zinc/58/09/11/646580911.db2.gz CXGIYYSCTRUZKE-NEPJUHHUSA-N 1 0 212.337 2.209 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000926134388 646581832 /nfs/dbraw/zinc/58/18/32/646581832.db2.gz YPODGRNTUQDGKN-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926253737 646600019 /nfs/dbraw/zinc/60/00/19/646600019.db2.gz VGCUADBLAFJWFL-VWYCJHECSA-N 1 0 212.337 2.328 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)nc1 ZINC000926228879 646600843 /nfs/dbraw/zinc/60/08/43/646600843.db2.gz QNEBBDHCGGBCIA-NJZAAPMLSA-N 1 0 239.322 2.398 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000926318091 646616399 /nfs/dbraw/zinc/61/63/99/646616399.db2.gz TYBAFDRZWMUZOG-ONERCXAPSA-N 1 0 242.322 2.170 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926344241 646622428 /nfs/dbraw/zinc/62/24/28/646622428.db2.gz JPBAUFFDTUNFBY-UONOGXRCSA-N 1 0 247.386 2.287 20 30 BEEDRO C=C1CCC(C[NH2+]C2CCN(OC)CC2)CC1 ZINC000724550869 711589421 /nfs/dbraw/zinc/58/94/21/711589421.db2.gz XTBRGTMZDRLCGJ-UHFFFAOYSA-N 1 0 238.375 2.348 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CCO)C2CCCC2)CC1 ZINC000725116212 711652166 /nfs/dbraw/zinc/65/21/66/711652166.db2.gz RLXRUYBPDVILCX-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721593479 711656080 /nfs/dbraw/zinc/65/60/80/711656080.db2.gz LSJBIXJFOSBBHM-IJLUTSLNSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000719092841 711666593 /nfs/dbraw/zinc/66/65/93/711666593.db2.gz YPNIEAUGCJLXJE-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)Cc1cccs1 ZINC000393737905 711677111 /nfs/dbraw/zinc/67/71/11/711677111.db2.gz ZAWHFMPLWCQHCD-SNVBAGLBSA-N 1 0 224.329 2.109 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000651675821 711717419 /nfs/dbraw/zinc/71/74/19/711717419.db2.gz DJFONUDKWGZHGZ-NEPJUHHUSA-N 1 0 219.332 2.255 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721262068 711803951 /nfs/dbraw/zinc/80/39/51/711803951.db2.gz OCIJFLAIHRQIRC-JHJVBQTASA-N 1 0 209.333 2.336 20 30 BEEDRO C#CCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000160679871 711809288 /nfs/dbraw/zinc/80/92/88/711809288.db2.gz IGFNWUWMNPZFBQ-UHFFFAOYSA-N 1 0 218.256 2.098 20 30 BEEDRO N#CC[C@@H](O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000929480877 711842121 /nfs/dbraw/zinc/84/21/21/711842121.db2.gz BRNRAFUCFDCVEJ-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC1CCC1 ZINC000913719275 711850965 /nfs/dbraw/zinc/85/09/65/711850965.db2.gz SKHBKUHNIHOICI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCCCCO)C1 ZINC000185878824 711908815 /nfs/dbraw/zinc/90/88/15/711908815.db2.gz ZJQMBJLPLIYJEW-QWHCGFSZSA-N 1 0 224.348 2.211 20 30 BEEDRO C=C(Cl)CN1CCOc2ccc(C[NH3+])cc21 ZINC000700861377 712008893 /nfs/dbraw/zinc/00/88/93/712008893.db2.gz NBVVNOKIWKIVJX-UHFFFAOYSA-N 1 0 238.718 2.097 20 30 BEEDRO CCO[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000701708071 712027217 /nfs/dbraw/zinc/02/72/17/712027217.db2.gz BYCVILBSMJNNLF-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000701905641 712031791 /nfs/dbraw/zinc/03/17/91/712031791.db2.gz LTFOOUHATGLTIQ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCCN[C@H]1C ZINC000701911390 712032055 /nfs/dbraw/zinc/03/20/55/712032055.db2.gz VSPJREVICDONIX-NWDGAFQWSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000703636848 712081966 /nfs/dbraw/zinc/08/19/66/712081966.db2.gz PEPBYMNCKSQROZ-ZDUSSCGKSA-N 1 0 238.375 2.320 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000703708760 712083471 /nfs/dbraw/zinc/08/34/71/712083471.db2.gz OCLRWFFWFVMTFY-LBPRGKRZSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCNC(=O)[C@H](CC)[NH2+]C ZINC000703708640 712083884 /nfs/dbraw/zinc/08/38/84/712083884.db2.gz MBNYSBNOGALYKD-NSHDSACASA-N 1 0 214.353 2.071 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000703712725 712084252 /nfs/dbraw/zinc/08/42/52/712084252.db2.gz DTCKFTSJKGPBEU-QWHCGFSZSA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCCCNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000703762977 712086328 /nfs/dbraw/zinc/08/63/28/712086328.db2.gz WTFHNJWQXMFXSA-CYBMUJFWSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]C(C)C ZINC001035011186 712106275 /nfs/dbraw/zinc/10/62/75/712106275.db2.gz BUVPKMQZCJODLV-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO COc1ccc(C[NH2+]CC[C@H](C)F)cc1C#N ZINC000705686790 712134313 /nfs/dbraw/zinc/13/43/13/712134313.db2.gz TWJOJTSXFCMCSM-JTQLQIEISA-N 1 0 236.290 2.405 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000708344206 712188960 /nfs/dbraw/zinc/18/89/60/712188960.db2.gz DFJYZEROJKAYPV-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708815981 712199492 /nfs/dbraw/zinc/19/94/92/712199492.db2.gz ANDFADLXFVMNLV-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709992454 712237954 /nfs/dbraw/zinc/23/79/54/712237954.db2.gz WNXIZVYWGMOMLM-RYUDHWBXSA-N 1 0 234.347 2.190 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000709997055 712238650 /nfs/dbraw/zinc/23/86/50/712238650.db2.gz JKTYJAMKDXZYKK-NWDGAFQWSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711144465 712285037 /nfs/dbraw/zinc/28/50/37/712285037.db2.gz MVJRGDQWTZXSCM-XQHKEYJVSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000378672866 712356977 /nfs/dbraw/zinc/35/69/77/712356977.db2.gz LSOYWWMDKZAEAI-QJPTWQEYSA-N 1 0 245.750 2.055 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000379182796 712370867 /nfs/dbraw/zinc/37/08/67/712370867.db2.gz PYROGWNUSVCRBT-ZJUUUORDSA-N 1 0 203.713 2.286 20 30 BEEDRO C=C(Cl)C[NH2+]CC1(COC)CCC1 ZINC000379385160 712380472 /nfs/dbraw/zinc/38/04/72/712380472.db2.gz RNXIVESYYABMOG-UHFFFAOYSA-N 1 0 203.713 2.145 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(Cl)nc1 ZINC000379571061 712388066 /nfs/dbraw/zinc/38/80/66/712388066.db2.gz DQGSGHYVKSFGQC-UHFFFAOYSA-N 1 0 208.692 2.238 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](COCC)C(C)C ZINC000233771312 712391917 /nfs/dbraw/zinc/39/19/17/712391917.db2.gz JPAJHXHSOUXKIK-JTQLQIEISA-N 1 0 205.729 2.390 20 30 BEEDRO CC[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000379777879 712399107 /nfs/dbraw/zinc/39/91/07/712399107.db2.gz AWMZWNNPPOJJQY-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713116377 712452945 /nfs/dbraw/zinc/45/29/45/712452945.db2.gz DMVXCKNJRRKVBC-QWRGUYRKSA-N 1 0 226.364 2.077 20 30 BEEDRO C=C/C=C/CC[NH2+]Cc1ccc(C#N)o1 ZINC000713447380 712460749 /nfs/dbraw/zinc/46/07/49/712460749.db2.gz GDDCWMYAUJVQAU-ONEGZZNKSA-N 1 0 202.257 2.373 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000715030771 712504606 /nfs/dbraw/zinc/50/46/06/712504606.db2.gz YDYWZXQUNZMBGV-SECBINFHSA-N 1 0 237.265 2.340 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CCC(C)CC1 ZINC000716928322 712596531 /nfs/dbraw/zinc/59/65/31/712596531.db2.gz HTYZKYPDRFMRGC-WXRRBKDZSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000716928833 712596678 /nfs/dbraw/zinc/59/66/78/712596678.db2.gz OOJLIXSIUQQZIA-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccccc1Cl ZINC000716933503 712597271 /nfs/dbraw/zinc/59/72/71/712597271.db2.gz ILZAGARZRMADRM-LBPRGKRZSA-N 1 0 237.730 2.468 20 30 BEEDRO C#CCC[N@@H+](CCCOC(C)(C)C)CCOC ZINC000852751857 712612917 /nfs/dbraw/zinc/61/29/17/712612917.db2.gz IIOLWDRVNWBHPG-UHFFFAOYSA-N 1 0 241.375 2.163 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccs1)[C@H]1CCCO1 ZINC000379896466 712621706 /nfs/dbraw/zinc/62/17/06/712621706.db2.gz CBCXVIFOFXNFHD-VXGBXAGGSA-N 1 0 221.325 2.019 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(C)OCCCO1 ZINC000379875975 712620101 /nfs/dbraw/zinc/62/01/01/712620101.db2.gz AEQSJYFRUWGMNO-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO CC(C)[C@H](O)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000879308353 712632931 /nfs/dbraw/zinc/63/29/31/712632931.db2.gz APHUGWUIUXAQEG-RWMBFGLXSA-N 1 0 224.348 2.017 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccco2)CC1 ZINC000717405794 712655550 /nfs/dbraw/zinc/65/55/50/712655550.db2.gz MFJZGDSDSJDTEC-UHFFFAOYSA-N 1 0 221.300 2.183 20 30 BEEDRO C=CCC1(O)CC[NH+](CCC(C)C)CC1 ZINC000717405779 712655751 /nfs/dbraw/zinc/65/57/51/712655751.db2.gz MAFMAIRQLYESCI-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](CCC)C1CCCC1 ZINC000717698714 712665354 /nfs/dbraw/zinc/66/53/54/712665354.db2.gz JRPKROPIDXORAG-ZIAGYGMSSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCCC12CCCCC2 ZINC000717698644 712665360 /nfs/dbraw/zinc/66/53/60/712665360.db2.gz JABCBXQNIRUWMD-KGLIPLIRSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000717698646 712665363 /nfs/dbraw/zinc/66/53/63/712665363.db2.gz JABCBXQNIRUWMD-ZIAGYGMSSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000380093943 712685542 /nfs/dbraw/zinc/68/55/42/712685542.db2.gz JRYZRWYPCNAXED-JHJVBQTASA-N 1 0 209.333 2.051 20 30 BEEDRO C#CC[C@H](CO)[NH2+]CC1(C)CCCCCC1 ZINC000717842122 712692272 /nfs/dbraw/zinc/69/22/72/712692272.db2.gz ZPZJNEPNEPEKRS-CYBMUJFWSA-N 1 0 223.360 2.321 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC ZINC001671303591 1165975630 /nfs/dbraw/zinc/97/56/30/1165975630.db2.gz LANGJRGYFOEWPL-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381327288 710622886 /nfs/dbraw/zinc/62/28/86/710622886.db2.gz RNPAUFLRMZKVHM-GRYCIOLGSA-N 1 0 218.300 2.492 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(C(C)C)C1)[C@@H]1CCCO1 ZINC000381454472 710639188 /nfs/dbraw/zinc/63/91/88/710639188.db2.gz HWWGCVHBDYMDSV-PQAZSJQKSA-N 1 0 221.344 2.191 20 30 BEEDRO C#CCCCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000381490010 710645020 /nfs/dbraw/zinc/64/50/20/710645020.db2.gz XBDGJLQHKZCCHP-LBPRGKRZSA-N 1 0 219.332 2.264 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)nc1)C(C)(C)C ZINC000381520824 710650116 /nfs/dbraw/zinc/65/01/16/710650116.db2.gz UPLXPLPGXWFIFW-LLVKDONJSA-N 1 0 220.291 2.358 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)nc1)C(C)(C)C ZINC000381520827 710650462 /nfs/dbraw/zinc/65/04/62/710650462.db2.gz UPLXPLPGXWFIFW-NSHDSACASA-N 1 0 220.291 2.358 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC(=O)N(CC)CC ZINC000381569110 710656466 /nfs/dbraw/zinc/65/64/66/710656466.db2.gz WEUWZRFCPVRIEO-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)CN[NH+]=C(C)c1ccc(N)cc1C ZINC000381670365 710669280 /nfs/dbraw/zinc/66/92/80/710669280.db2.gz WKBYBASFWMXIOG-UHFFFAOYSA-N 1 0 217.316 2.467 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000722582144 710718341 /nfs/dbraw/zinc/71/83/41/710718341.db2.gz JTSJHJILEDYHTJ-VXGBXAGGSA-N 1 0 209.333 2.045 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000381812803 710721247 /nfs/dbraw/zinc/72/12/47/710721247.db2.gz ICBZXEVMGJWJIP-LLVKDONJSA-N 1 0 216.284 2.056 20 30 BEEDRO C=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC1 ZINC001039259013 710723930 /nfs/dbraw/zinc/72/39/30/710723930.db2.gz JTMATJWDVZXZJH-AGUYFDCRSA-N 1 0 248.370 2.084 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724464032 710740979 /nfs/dbraw/zinc/74/09/79/710740979.db2.gz FGDHRWSUOWFYNO-WYUUTHIRSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000381874531 710756644 /nfs/dbraw/zinc/75/66/44/710756644.db2.gz ZREUCUAEQLXRKS-MGPQQGTHSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000381874529 710756955 /nfs/dbraw/zinc/75/69/55/710756955.db2.gz ZREUCUAEQLXRKS-MCIONIFRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)/C(C)=C/C)C2)C1 ZINC001041182204 710763797 /nfs/dbraw/zinc/76/37/97/710763797.db2.gz AGZGVJHPTMSNNT-DTHCKZEYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000382126873 710797584 /nfs/dbraw/zinc/79/75/84/710797584.db2.gz NWDPFLMLMKSSPM-YMAMQOFZSA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOCCC(C)C ZINC000384197039 710820988 /nfs/dbraw/zinc/82/09/88/710820988.db2.gz YOZFIONCAYQVJA-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000384196176 710821292 /nfs/dbraw/zinc/82/12/92/710821292.db2.gz YCDLIUNWSTYCQW-HNNXBMFYSA-N 1 0 245.322 2.349 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C#N)ccc1OC ZINC000384197586 710822107 /nfs/dbraw/zinc/82/21/07/710822107.db2.gz KCVGTZWOVKKGKC-HNNXBMFYSA-N 1 0 242.322 2.458 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)C)[C@H](C)C1 ZINC001044423400 710826938 /nfs/dbraw/zinc/82/69/38/710826938.db2.gz VUHOXYMHASWZHL-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C=C(C)C)[C@H](C)C1 ZINC001044433165 710827265 /nfs/dbraw/zinc/82/72/65/710827265.db2.gz RKEJINIVKMZSGW-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2CC=CC2)[C@@H](C)C1 ZINC001044513669 710828025 /nfs/dbraw/zinc/82/80/25/710828025.db2.gz LTSKUXJCXSTEOV-JSGCOSHPSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000383029146 710841435 /nfs/dbraw/zinc/84/14/35/710841435.db2.gz CFJJVBSYKYMECZ-ZIAGYGMSSA-N 1 0 236.403 2.356 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001046134633 710850093 /nfs/dbraw/zinc/85/00/93/710850093.db2.gz DQUYKYNBFMQMKZ-UKRRQHHQSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001071349748 710868411 /nfs/dbraw/zinc/86/84/11/710868411.db2.gz LJNNNTLGYGIWCM-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC)C1 ZINC001047930372 710876669 /nfs/dbraw/zinc/87/66/69/710876669.db2.gz CTGFXOXYRPOUET-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903069062 710889983 /nfs/dbraw/zinc/88/99/83/710889983.db2.gz BRSSOLQMSIDNFZ-HONMWMINSA-N 1 0 245.326 2.171 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001049274036 710898576 /nfs/dbraw/zinc/89/85/76/710898576.db2.gz SCXHHBXGLCJCAL-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CCC1 ZINC001049272491 710898750 /nfs/dbraw/zinc/89/87/50/710898750.db2.gz NTKSVONLJYCKDH-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284099 710899213 /nfs/dbraw/zinc/89/92/13/710899213.db2.gz DSUMQMVFBZCVPG-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)CC1 ZINC001052886141 710919058 /nfs/dbraw/zinc/91/90/58/710919058.db2.gz HDRLRGPVBXGVRM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)CC(C)C)C[C@@H]1C ZINC001054342978 710930374 /nfs/dbraw/zinc/93/03/74/710930374.db2.gz JUTWDWODAJJYPX-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[N@@H+](C)C/C=C(/C)C(=O)OC ZINC000382498490 710971084 /nfs/dbraw/zinc/97/10/84/710971084.db2.gz MWKOCTNWCKSJGO-FLIBITNWSA-N 1 0 211.305 2.004 20 30 BEEDRO C=C(C)C[N@H+](CC)C/C=C(/C)C(=O)OC ZINC000382538585 710972755 /nfs/dbraw/zinc/97/27/55/710972755.db2.gz RRUOYMDCNLLAAE-XFFZJAGNSA-N 1 0 211.305 2.004 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000383060835 710976362 /nfs/dbraw/zinc/97/63/62/710976362.db2.gz NHYYMYZXEVFUFT-RBSFLKMASA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000383060837 710976372 /nfs/dbraw/zinc/97/63/72/710976372.db2.gz NHYYMYZXEVFUFT-RRFJBIMHSA-N 1 0 236.403 2.356 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCOCC(F)(F)F ZINC000384131062 710989558 /nfs/dbraw/zinc/98/95/58/710989558.db2.gz CFRQATJGPRITLF-JTQLQIEISA-N 1 0 237.265 2.347 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1ccncc1 ZINC000384144827 710990192 /nfs/dbraw/zinc/99/01/92/710990192.db2.gz FGNNMMWPWIRQSZ-ZDUSSCGKSA-N 1 0 202.301 2.016 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000384167723 710991243 /nfs/dbraw/zinc/99/12/43/710991243.db2.gz LWLXTPITDCFADT-OAHLLOKOSA-N 1 0 242.322 2.458 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccncc1C ZINC000385270447 711009675 /nfs/dbraw/zinc/00/96/75/711009675.db2.gz ZWPXXXDUTSCYMN-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C=CCOCC[N@H+](CCC#N)CC(C)C ZINC000385450942 711013571 /nfs/dbraw/zinc/01/35/71/711013571.db2.gz SZPJXUQGOSYJAQ-UHFFFAOYSA-N 1 0 210.321 2.061 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000387393646 711042856 /nfs/dbraw/zinc/04/28/56/711042856.db2.gz KKPHBVTZBRALRQ-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](COC)CC(C)C ZINC000388584581 711062210 /nfs/dbraw/zinc/06/22/10/711062210.db2.gz HCIRPTOGXIHWAB-SNVBAGLBSA-N 1 0 205.729 2.390 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C1CCCCC1 ZINC000389415080 711078154 /nfs/dbraw/zinc/07/81/54/711078154.db2.gz TZZRAUCZOMZAPN-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CCSCC[NH2+][C@@H](COC)CC(C)C ZINC000389853205 711092479 /nfs/dbraw/zinc/09/24/79/711092479.db2.gz YMVNBHQBJOEQSV-GFCCVEGCSA-N 1 0 229.389 2.004 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)[C@H]1CCCO1 ZINC000390146556 711106517 /nfs/dbraw/zinc/10/65/17/711106517.db2.gz RGTYUINBLVEVPA-IGQOVBAYSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)[C@@H]1CCCO1 ZINC000390487099 711119828 /nfs/dbraw/zinc/11/98/28/711119828.db2.gz OZUSGELQRMTCHD-VOAKCMCISA-N 1 0 221.344 2.191 20 30 BEEDRO C=CCCC[NH2+]Cc1nnc(CC)s1 ZINC000391935524 711141680 /nfs/dbraw/zinc/14/16/80/711141680.db2.gz WQGYVABRJOOVOK-UHFFFAOYSA-N 1 0 211.334 2.156 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC[C@H]1CC ZINC000392779804 711152606 /nfs/dbraw/zinc/15/26/06/711152606.db2.gz YQOJBJXDEGTKHN-HUUCEWRRSA-N 1 0 236.403 2.500 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000393601173 711165060 /nfs/dbraw/zinc/16/50/60/711165060.db2.gz SOPIIEDWSWDENA-CQSZACIVSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C=C2CCC2)CC[C@H]1C ZINC001071419893 711191990 /nfs/dbraw/zinc/19/19/90/711191990.db2.gz GJGSCMFAOGUUAU-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000395122987 711201766 /nfs/dbraw/zinc/20/17/66/711201766.db2.gz AASVVGWWBATZQA-KGLIPLIRSA-N 1 0 235.302 2.251 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)O1 ZINC000398072218 711401019 /nfs/dbraw/zinc/40/10/19/711401019.db2.gz MQRSISIUFBMSBI-ZFWWWQNUSA-N 1 0 229.323 2.195 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(OC)ns1 ZINC000399197132 711424488 /nfs/dbraw/zinc/42/44/88/711424488.db2.gz YGXZEJNSSWGXEE-NSHDSACASA-N 1 0 224.329 2.043 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000381230136 710610532 /nfs/dbraw/zinc/61/05/32/710610532.db2.gz KRKGPMOPADITOE-XQQFMLRXSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1cc[nH]c(=O)c1 ZINC000381301465 710619091 /nfs/dbraw/zinc/61/90/91/710619091.db2.gz ILJDFFKHGRIPDC-JTQLQIEISA-N 1 0 219.288 2.132 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381327308 710622553 /nfs/dbraw/zinc/62/25/53/710622553.db2.gz RNPAUFLRMZKVHM-WOPDTQHZSA-N 1 0 218.300 2.492 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCCCOc1ccccc1 ZINC000381334895 710623805 /nfs/dbraw/zinc/62/38/05/710623805.db2.gz VJZNLODXQIRKKO-CYBMUJFWSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccccc1F ZINC000384234671 710836506 /nfs/dbraw/zinc/83/65/06/710836506.db2.gz YSDRGHCVYGOBJE-CQSZACIVSA-N 1 0 248.301 2.156 20 30 BEEDRO C=CCCCCC[N@@H+](C)CN1CCOC1=O ZINC000902159811 710879754 /nfs/dbraw/zinc/87/97/54/710879754.db2.gz YCHKHKWEUJKKEF-UHFFFAOYSA-N 1 0 226.320 2.074 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CCOC1 ZINC000903109478 710892160 /nfs/dbraw/zinc/89/21/60/710892160.db2.gz PPWOALVVRUDXAL-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C)CC1 ZINC001049488918 710900909 /nfs/dbraw/zinc/90/09/09/710900909.db2.gz CURIBHVIVCRVGV-QWHCGFSZSA-N 1 0 248.370 2.038 20 30 BEEDRO COCC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000383825024 710946700 /nfs/dbraw/zinc/94/67/00/710946700.db2.gz RMAYSIBFNLYZSQ-UHFFFAOYSA-N 1 0 231.339 2.300 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001000129008 710948260 /nfs/dbraw/zinc/94/82/60/710948260.db2.gz RSHGTYQOTCTONY-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000384884144 711000332 /nfs/dbraw/zinc/00/03/32/711000332.db2.gz VSSQIWWKQVKINH-AWEZNQCLSA-N 1 0 244.338 2.393 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000387502294 711043698 /nfs/dbraw/zinc/04/36/98/711043698.db2.gz XSXLLVCAUWCZKZ-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2)CC[C@H]1C ZINC001071347693 711188989 /nfs/dbraw/zinc/18/89/89/711188989.db2.gz PEAYOJXXRMQTKL-YPMHNXCESA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001072011956 711213917 /nfs/dbraw/zinc/21/39/17/711213917.db2.gz GJEGDARGCJNVOP-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO CCNC(NC[C@@H](C)CC(F)(F)F)=[NH+]CC ZINC000396944990 711373321 /nfs/dbraw/zinc/37/33/21/711373321.db2.gz WWRDHMNZAFHXPA-QMMMGPOBSA-N 1 0 239.285 2.150 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000397164068 711377458 /nfs/dbraw/zinc/37/74/58/711377458.db2.gz YNUFLMHSZXLPCX-OAHLLOKOSA-N 1 0 244.338 2.346 20 30 BEEDRO CCCCCCCCCC(=O)NCC1C[NH2+]C1 ZINC000397854409 711393604 /nfs/dbraw/zinc/39/36/04/711393604.db2.gz UHPBYJHWQXQMNM-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000397857148 711393700 /nfs/dbraw/zinc/39/37/00/711393700.db2.gz XGYYTPLMHRJPRR-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2C=CCC2)[C@H]1C ZINC001074519051 711443084 /nfs/dbraw/zinc/44/30/84/711443084.db2.gz HYTBEXKSGLRRAA-IHRRRGAJSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC=CCC2)[C@H]1C ZINC001074524667 711443229 /nfs/dbraw/zinc/44/32/29/711443229.db2.gz IYPSDCKVCCCSIM-IHRRRGAJSA-N 1 0 248.370 2.108 20 30 BEEDRO CCCCCCC[NH+]1CCC(NC(N)=O)CC1 ZINC000175745880 711456915 /nfs/dbraw/zinc/45/69/15/711456915.db2.gz IZDUSZDARSQBPV-UHFFFAOYSA-N 1 0 241.379 2.090 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723562641 711517784 /nfs/dbraw/zinc/51/77/84/711517784.db2.gz AZQNNXJEHCGVRE-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723623953 711526522 /nfs/dbraw/zinc/52/65/22/711526522.db2.gz JLYIEDLPDVEICH-ZDEQEGDKSA-N 1 0 209.333 2.356 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723626634 711526698 /nfs/dbraw/zinc/52/66/98/711526698.db2.gz CBJBDYVYMXGXOS-HZSPNIEDSA-N 1 0 221.344 2.195 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723643565 711529449 /nfs/dbraw/zinc/52/94/49/711529449.db2.gz IQLBYGWAEKTBSP-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723643566 711529560 /nfs/dbraw/zinc/52/95/60/711529560.db2.gz IQLBYGWAEKTBSP-XJFOESAGSA-N 1 0 236.359 2.473 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715443681 711546749 /nfs/dbraw/zinc/54/67/49/711546749.db2.gz WSOUHQDSKLTUET-MGPQQGTHSA-N 1 0 221.344 2.336 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723965356 711548096 /nfs/dbraw/zinc/54/80/96/711548096.db2.gz PEKUTNCSABVEMI-STQMWFEESA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723969494 711548795 /nfs/dbraw/zinc/54/87/95/711548795.db2.gz QYIGZEZVGJFMSY-OLZOCXBDSA-N 1 0 209.333 2.357 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000723978772 711550473 /nfs/dbraw/zinc/55/04/73/711550473.db2.gz SHESTLPMXDMOQM-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723994326 711552244 /nfs/dbraw/zinc/55/22/44/711552244.db2.gz MIJGKPOWOOCMHF-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1F ZINC000724158395 711565202 /nfs/dbraw/zinc/56/52/02/711565202.db2.gz OCMGWPFYDODAMD-QWHCGFSZSA-N 1 0 248.301 2.307 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cncc(C#N)c2)C1 ZINC000721500292 711566919 /nfs/dbraw/zinc/56/69/19/711566919.db2.gz LYBAMBUVWAHICV-TXEJJXNPSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CC[C@H]1CCN1[C@@H](C)C(=O)OC(C)(C)C ZINC000934469446 711587759 /nfs/dbraw/zinc/58/77/59/711587759.db2.gz UMUQJSUKXDAUMG-QWRGUYRKSA-N 1 0 225.332 2.367 20 30 BEEDRO C=CC[C@@H]1CCN1[C@@H](C)C(=O)OC(C)(C)C ZINC000934469448 711587896 /nfs/dbraw/zinc/58/78/96/711587896.db2.gz UMUQJSUKXDAUMG-WDEREUQCSA-N 1 0 225.332 2.367 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000724548775 711589550 /nfs/dbraw/zinc/58/95/50/711589550.db2.gz GIZQTERVGYXTEB-CYBMUJFWSA-N 1 0 209.333 2.093 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724858049 711621464 /nfs/dbraw/zinc/62/14/64/711621464.db2.gz HMYRTHLXQGZZQY-WUHRBBMRSA-N 1 0 224.348 2.281 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](CC)CCCC ZINC000717793820 711623126 /nfs/dbraw/zinc/62/31/26/711623126.db2.gz HYASUNJGBYVPHC-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CCC1([NH2+]CCO[C@@H]2CCOC2)CCCC1 ZINC000724975356 711639499 /nfs/dbraw/zinc/63/94/99/711639499.db2.gz QIIPTUASJRJNPV-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000386712207 711642741 /nfs/dbraw/zinc/64/27/41/711642741.db2.gz PRZUZOHQEQWFSF-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C#CC[N@@H+](CCC)C[C@@H]1COc2ccccc2O1 ZINC000052927475 711645143 /nfs/dbraw/zinc/64/51/43/711645143.db2.gz XFKOIKZTBGUZGM-CYBMUJFWSA-N 1 0 245.322 2.172 20 30 BEEDRO N#Cc1cncc(CN2CC[C@@H](C(F)F)C2)c1 ZINC000721573068 711649023 /nfs/dbraw/zinc/64/90/23/711649023.db2.gz SEBSGLQSTKFKFA-LLVKDONJSA-N 1 0 237.253 2.040 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cncc(C#N)c1)C1CC1 ZINC000721580218 711651710 /nfs/dbraw/zinc/65/17/10/711651710.db2.gz MUBWQUFKWCILDA-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721584344 711653257 /nfs/dbraw/zinc/65/32/57/711653257.db2.gz CXJKZIZKUKZVML-TUAOUCFPSA-N 1 0 209.333 2.191 20 30 BEEDRO CC(C)OCCC[N@H+](C)Cc1cncc(C#N)c1 ZINC000721583455 711653300 /nfs/dbraw/zinc/65/33/00/711653300.db2.gz ARPOCOREZUIMNK-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO CC[N@@H+](Cc1cncc(C#N)c1)CC1CC1 ZINC000721614856 711670814 /nfs/dbraw/zinc/67/08/14/711670814.db2.gz MKGPBSYRKXBZMV-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721624510 711671624 /nfs/dbraw/zinc/67/16/24/711671624.db2.gz USTXFOOUVYSDIQ-MNOVXSKESA-N 1 0 217.316 2.477 20 30 BEEDRO N#Cc1cncc(C[NH+]2C3CCC2CC3)c1 ZINC000721625420 711671646 /nfs/dbraw/zinc/67/16/46/711671646.db2.gz STHYUSFIIWLAQA-UHFFFAOYSA-N 1 0 213.284 2.080 20 30 BEEDRO C#CCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000393689916 711676024 /nfs/dbraw/zinc/67/60/24/711676024.db2.gz KTHYHBKYKMKBQH-NSHDSACASA-N 1 0 208.330 2.381 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038046783 711676861 /nfs/dbraw/zinc/67/68/61/711676861.db2.gz WDCQSWMYZNYYQK-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO CCC#C[C@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000393751986 711677665 /nfs/dbraw/zinc/67/76/65/711677665.db2.gz SKSXFRXSGXDCDX-NSHDSACASA-N 1 0 219.332 2.047 20 30 BEEDRO CCC1([NH2+]CCO[C@H](C)C#N)CCCC1 ZINC000382540508 711679411 /nfs/dbraw/zinc/67/94/11/711679411.db2.gz CZADGTBFAYJPBY-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000174052542 711689921 /nfs/dbraw/zinc/68/99/21/711689921.db2.gz KRNZAVPRIDDJAZ-CYBMUJFWSA-N 1 0 243.354 2.197 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925531504 711698542 /nfs/dbraw/zinc/69/85/42/711698542.db2.gz LCARJLUBDDOQSI-HSBZDZAISA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCSCCN[C@H]1CC[NH2+]C1(C)C ZINC000925711303 711711396 /nfs/dbraw/zinc/71/13/96/711711396.db2.gz ZOAAISCTFVMWSB-NSHDSACASA-N 1 0 228.405 2.026 20 30 BEEDRO CCCCCCCCCNC(=O)NC[C@H](C)[NH3+] ZINC000841660752 711738407 /nfs/dbraw/zinc/73/84/07/711738407.db2.gz UKBVBBWRGGIIDT-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO C[N@H+](CCCC#N)CCc1ccc2c(c1)OCO2 ZINC000258853232 711743809 /nfs/dbraw/zinc/74/38/09/711743809.db2.gz DOUXATXTMXJABZ-UHFFFAOYSA-N 1 0 246.310 2.193 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000893607087 711745847 /nfs/dbraw/zinc/74/58/47/711745847.db2.gz UOLVTURRBSSIIK-IALDZJHCSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@]1(CC)CO ZINC000189639475 711775415 /nfs/dbraw/zinc/77/54/15/711775415.db2.gz RNZDHCLDBAPROD-SNVBAGLBSA-N 1 0 248.164 2.132 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000897166937 711784546 /nfs/dbraw/zinc/78/45/46/711784546.db2.gz FEEUDFPCDAZWBV-UHFFFAOYSA-N 1 0 227.311 2.028 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(NC(C)=O)cc1 ZINC000897167006 711784576 /nfs/dbraw/zinc/78/45/76/711784576.db2.gz VEKCKCAOMJRXBI-UHFFFAOYSA-N 1 0 230.311 2.100 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]1C1CCC1)Nc1ccccn1 ZINC000263067198 711789928 /nfs/dbraw/zinc/78/99/28/711789928.db2.gz OGRHCAINLDISMF-RYUDHWBXSA-N 1 0 244.342 2.244 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721868678 711792773 /nfs/dbraw/zinc/79/27/73/711792773.db2.gz IFBMZDWYGMIJRP-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)/C=C/C2CC2)C1 ZINC000988461435 711795129 /nfs/dbraw/zinc/79/51/29/711795129.db2.gz PYCKYRZSUJWNSQ-XFUXEANSSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988820286 711797238 /nfs/dbraw/zinc/79/72/38/711797238.db2.gz OPKAAPBYZAMDLO-FZMZJTMJSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](COC)C(C)C ZINC000721904822 711813514 /nfs/dbraw/zinc/81/35/14/711813514.db2.gz RATFESYAWQMWCO-OLZOCXBDSA-N 1 0 211.349 2.297 20 30 BEEDRO CCCCCCCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000381668691 711821425 /nfs/dbraw/zinc/82/14/25/711821425.db2.gz BOKTWHRUNHQHJE-WDEREUQCSA-N 1 0 214.353 2.199 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000166704368 711827320 /nfs/dbraw/zinc/82/73/20/711827320.db2.gz KLORSAKYMYPDCK-STQMWFEESA-N 1 0 221.344 2.480 20 30 BEEDRO CC(C)(C#N)CCN1CCC[C@H](C#N)C1 ZINC000087592198 711837925 /nfs/dbraw/zinc/83/79/25/711837925.db2.gz WIBCHYFWFCAPSK-LLVKDONJSA-N 1 0 205.305 2.162 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000174612367 711841009 /nfs/dbraw/zinc/84/10/09/711841009.db2.gz PDDRHCSTWJKAPR-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCCC2CC2)cc1 ZINC000267378396 711853170 /nfs/dbraw/zinc/85/31/70/711853170.db2.gz ALDRESDEJFSNIQ-UHFFFAOYSA-N 1 0 233.315 2.222 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000829815939 711854081 /nfs/dbraw/zinc/85/40/81/711854081.db2.gz WHYLKMYKOHOHAV-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000382420282 711911150 /nfs/dbraw/zinc/91/11/50/711911150.db2.gz WRCZIIVPFAHGAV-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCCCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000355760583 711921132 /nfs/dbraw/zinc/92/11/32/711921132.db2.gz XKWUHEQYBHAROG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CCC2)[C@H]2CCCO[C@@H]21 ZINC000451480188 711950377 /nfs/dbraw/zinc/95/03/77/711950377.db2.gz PNLIIIXUBLIJMV-UPJWGTAASA-N 1 0 248.370 2.473 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CCC2)[C@@H]2CCCO[C@H]21 ZINC000451480190 711950441 /nfs/dbraw/zinc/95/04/41/711950441.db2.gz PNLIIIXUBLIJMV-YNEHKIRRSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922161431 711957808 /nfs/dbraw/zinc/95/78/08/711957808.db2.gz AUCODABTZMYCGI-OLZOCXBDSA-N 1 0 248.351 2.443 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccccc2)C1 ZINC001032876841 711965592 /nfs/dbraw/zinc/96/55/92/711965592.db2.gz OXIUCAIXTYYRKM-CQSZACIVSA-N 1 0 244.338 2.019 20 30 BEEDRO COCC1([NH2+][C@H](C)CC(C)(C)C#N)CC1 ZINC000700063664 711985830 /nfs/dbraw/zinc/98/58/30/711985830.db2.gz RKSCBBYWSVVGNG-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C=C2CCC2)C1 ZINC001032995995 711970919 /nfs/dbraw/zinc/97/09/19/711970919.db2.gz GAVGAPULIAYTRE-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001044388223 711971601 /nfs/dbraw/zinc/97/16/01/711971601.db2.gz FJHZRYKLENGDBH-MNOVXSKESA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC)[C@@H](C)C1 ZINC001044423056 711975355 /nfs/dbraw/zinc/97/53/55/711975355.db2.gz VFQSEXBDPSJABR-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC001033332782 711984531 /nfs/dbraw/zinc/98/45/31/711984531.db2.gz PIVUBRQWSOCKLL-ZFWWWQNUSA-N 1 0 248.370 2.061 20 30 BEEDRO Cc1ccc(C[NH2+]C2CCOCC2)cc1C#N ZINC000701868948 712030996 /nfs/dbraw/zinc/03/09/96/712030996.db2.gz ZMBVQUGWORURCC-UHFFFAOYSA-N 1 0 230.311 2.135 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CO[C@@H](CC)C1)C(C)(C)C ZINC000702246004 712041883 /nfs/dbraw/zinc/04/18/83/712041883.db2.gz LHNKCZVIOQUDCV-WOPDTQHZSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C(C)(C)C ZINC000702257626 712042585 /nfs/dbraw/zinc/04/25/85/712042585.db2.gz SFBBTUMMADEXAT-UTUOFQBUSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CCC)C(C)(C)C ZINC000702282341 712044798 /nfs/dbraw/zinc/04/47/98/712044798.db2.gz NRXIATZTPUKRRF-ZDUSSCGKSA-N 1 0 233.359 2.431 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2=CCCC2)cc1 ZINC000702326010 712047072 /nfs/dbraw/zinc/04/70/72/712047072.db2.gz ZWFMLRJVHBTVOA-HNNXBMFYSA-N 1 0 242.322 2.292 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000703276615 712069485 /nfs/dbraw/zinc/06/94/85/712069485.db2.gz REUYSBUSPBQASZ-QNWHQSFQSA-N 1 0 222.376 2.317 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)OCCCC)C1 ZINC000703683336 712083588 /nfs/dbraw/zinc/08/35/88/712083588.db2.gz BWTXDSSSNGDJHG-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H](C)C1 ZINC000703698109 712083849 /nfs/dbraw/zinc/08/38/49/712083849.db2.gz KHQHGJXZIROVQI-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CCCCCCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000703713909 712084389 /nfs/dbraw/zinc/08/43/89/712084389.db2.gz NGQBGZSUYULMDB-LBPRGKRZSA-N 1 0 224.348 2.121 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000703748983 712084818 /nfs/dbraw/zinc/08/48/18/712084818.db2.gz UBFHLLXEVKLZPH-KBPBESRZSA-N 1 0 242.407 2.313 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000703726158 712085590 /nfs/dbraw/zinc/08/55/90/712085590.db2.gz DIOUJFGOUWYOTA-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)cn1)C(C)C ZINC000703893398 712092340 /nfs/dbraw/zinc/09/23/40/712092340.db2.gz PGESZKBNWCDYPD-GFCCVEGCSA-N 1 0 222.719 2.482 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703917341 712094336 /nfs/dbraw/zinc/09/43/36/712094336.db2.gz ACGCDLNQQVOXNR-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCSC2)o1 ZINC000704896394 712121084 /nfs/dbraw/zinc/12/10/84/712121084.db2.gz JHROYAGDWKDHOW-JTQLQIEISA-N 1 0 236.340 2.384 20 30 BEEDRO C=CC[C@@H]1CCCN(C[C@@H]([NH3+])CC(F)F)C1 ZINC000705862675 712137578 /nfs/dbraw/zinc/13/75/78/712137578.db2.gz QRWZYAUMYSCNBY-MNOVXSKESA-N 1 0 232.318 2.257 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CCCCO1)C(C)C ZINC000705939607 712138371 /nfs/dbraw/zinc/13/83/71/712138371.db2.gz ALZMEHYUUKKYAX-AGIUHOORSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)C(C)C ZINC000705939612 712138471 /nfs/dbraw/zinc/13/84/71/712138471.db2.gz ALZMEHYUUKKYAX-RWMBFGLXSA-N 1 0 209.333 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC)C[C@H]1C ZINC001035876057 712146837 /nfs/dbraw/zinc/14/68/37/712146837.db2.gz SONDHHNDZIPVOL-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000706580263 712149901 /nfs/dbraw/zinc/14/99/01/712149901.db2.gz YRBRAWCKQJRBDO-DCAQKATOSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)C[C@@H]1C ZINC001035993667 712152476 /nfs/dbraw/zinc/15/24/76/712152476.db2.gz SLMTZZLMWKRIRS-GXTWGEPZSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CCC1 ZINC000706802592 712155918 /nfs/dbraw/zinc/15/59/18/712155918.db2.gz QXSNTIAXESLEOC-HNNXBMFYSA-N 1 0 244.338 2.466 20 30 BEEDRO N#Cc1cccc(OCCC[N@@H+]2CC[C@@H]3C[C@@H]32)c1 ZINC000706901553 712159434 /nfs/dbraw/zinc/15/94/34/712159434.db2.gz OCLKUFORYZAGJD-HIFRSBDPSA-N 1 0 242.322 2.421 20 30 BEEDRO C#CC1(O)CC[NH+](CCCCCC=C)CC1 ZINC000708115835 712182054 /nfs/dbraw/zinc/18/20/54/712182054.db2.gz WPYNBQCGUJEYAC-UHFFFAOYSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC1(O)CC[NH+](CCC2CCCCC2)CC1 ZINC000708136862 712182662 /nfs/dbraw/zinc/18/26/62/712182662.db2.gz MBLDJIFDTDQNAO-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000708142799 712183175 /nfs/dbraw/zinc/18/31/75/712183175.db2.gz OMUXMYSKWDDXDO-UHFFFAOYSA-N 1 0 249.379 2.271 20 30 BEEDRO C#CC1(O)CC[NH+](CCCCCC)CC1 ZINC000708152763 712183475 /nfs/dbraw/zinc/18/34/75/712183475.db2.gz VFVVPTNDJPFCGM-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000708379557 712191767 /nfs/dbraw/zinc/19/17/67/712191767.db2.gz LZTRJHXFEWXDPN-AWEZNQCLSA-N 1 0 244.338 2.463 20 30 BEEDRO CC1(C)CO[C@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000708464944 712194691 /nfs/dbraw/zinc/19/46/91/712194691.db2.gz MJWJDBRBPRSORS-LBPRGKRZSA-N 1 0 222.332 2.037 20 30 BEEDRO CCCCCCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000708565457 712213238 /nfs/dbraw/zinc/21/32/38/712213238.db2.gz SDHFSQCSEJSDBL-AWEZNQCLSA-N 1 0 242.407 2.003 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOCC1CCC1 ZINC000708576895 712213372 /nfs/dbraw/zinc/21/33/72/712213372.db2.gz WQZZRJKZTUQXGL-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000709972802 712236154 /nfs/dbraw/zinc/23/61/54/712236154.db2.gz SLNAWWLZCXUALR-VXGBXAGGSA-N 1 0 226.364 2.169 20 30 BEEDRO CCCN1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000709978616 712236491 /nfs/dbraw/zinc/23/64/91/712236491.db2.gz WVKNTGSKJKTNRR-QWHCGFSZSA-N 1 0 237.391 2.389 20 30 BEEDRO COCCCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709977022 712236764 /nfs/dbraw/zinc/23/67/64/712236764.db2.gz OZOLCRSEQYNAEO-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)N(C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709998296 712238876 /nfs/dbraw/zinc/23/88/76/712238876.db2.gz RDSALFICLKXCCI-LBPRGKRZSA-N 1 0 225.380 2.245 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000709997057 712238902 /nfs/dbraw/zinc/23/89/02/712238902.db2.gz JKTYJAMKDXZYKK-RYUDHWBXSA-N 1 0 235.375 2.141 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000710620861 712264168 /nfs/dbraw/zinc/26/41/68/712264168.db2.gz NWQBXEASHCNAIA-JTQLQIEISA-N 1 0 221.329 2.236 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2CN(C(=O)C=C(C)C)CC[C@H]21 ZINC001036628193 712264434 /nfs/dbraw/zinc/26/44/34/712264434.db2.gz XMUOKWGSEJNEGY-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)CC[C@@H]21 ZINC001036628192 712264939 /nfs/dbraw/zinc/26/49/39/712264939.db2.gz XMUOKWGSEJNEGY-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO N#Cc1ccccc1OCC[N@H+]1CC[C@@H](CF)C1 ZINC000711435821 712300078 /nfs/dbraw/zinc/30/00/78/712300078.db2.gz QHSHWPJFABQRSX-LBPRGKRZSA-N 1 0 248.301 2.228 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000711430850 712300274 /nfs/dbraw/zinc/30/02/74/712300274.db2.gz PCNZLOLAWQDVLD-CYBMUJFWSA-N 1 0 218.275 2.350 20 30 BEEDRO C=C(Br)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711527191 712309832 /nfs/dbraw/zinc/30/98/32/712309832.db2.gz WTQYAJXEVMLGKB-DTORHVGOSA-N 1 0 248.189 2.190 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711782825 712329500 /nfs/dbraw/zinc/32/95/00/712329500.db2.gz JILFWPRIYQYXJC-SNVBAGLBSA-N 1 0 205.305 2.272 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711896189 712338183 /nfs/dbraw/zinc/33/81/83/712338183.db2.gz OVDYDOZYOWSIQI-CHWSQXEVSA-N 1 0 236.359 2.331 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711896192 712338207 /nfs/dbraw/zinc/33/82/07/712338207.db2.gz OVDYDOZYOWSIQI-STQMWFEESA-N 1 0 236.359 2.331 20 30 BEEDRO COC(C)(C)CC[NH2+]CC#Cc1ccccc1 ZINC000711913574 712338551 /nfs/dbraw/zinc/33/85/51/712338551.db2.gz PFFXYJPCAXUOMG-UHFFFAOYSA-N 1 0 231.339 2.443 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccccc1CC(=O)OC ZINC000382478483 712343849 /nfs/dbraw/zinc/34/38/49/712343849.db2.gz LFYDMXRYTIWPFU-UHFFFAOYSA-N 1 0 247.338 2.410 20 30 BEEDRO C=C(Br)C[NH2+]C[C@@H](CCC)OC ZINC000378777030 712360386 /nfs/dbraw/zinc/36/03/86/712360386.db2.gz DTSZDVOIZZHZOA-SECBINFHSA-N 1 0 236.153 2.300 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CSC(C)(C)C ZINC000379656612 712391496 /nfs/dbraw/zinc/39/14/96/712391496.db2.gz LLHGKUGENIHZAS-VHSXEESVSA-N 1 0 217.378 2.043 20 30 BEEDRO CC[C@@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000379777877 712398767 /nfs/dbraw/zinc/39/87/67/712398767.db2.gz AWMZWNNPPOJJQY-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)nn1C ZINC000390507143 712419781 /nfs/dbraw/zinc/41/97/81/712419781.db2.gz XQZYBMRMEUABQN-GFCCVEGCSA-N 1 0 219.332 2.183 20 30 BEEDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000712612749 712438093 /nfs/dbraw/zinc/43/80/93/712438093.db2.gz CEQGUFPBTWNWOS-DOMZBBRYSA-N 1 0 243.354 2.303 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000712619008 712438701 /nfs/dbraw/zinc/43/87/01/712438701.db2.gz XLBVFLXJNWXAOL-SWLSCSKDSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@@H]2CCN2C)cc1 ZINC000712616881 712438885 /nfs/dbraw/zinc/43/88/85/712438885.db2.gz SKKMJCSDTUXSPJ-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCOCC[NH2+]C1(CO)CCCCCCC1 ZINC000713448571 712460655 /nfs/dbraw/zinc/46/06/55/712460655.db2.gz CVSYMJIMWQRWTH-UHFFFAOYSA-N 1 0 241.375 2.254 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000713473812 712461694 /nfs/dbraw/zinc/46/16/94/712461694.db2.gz FEBPSSFQRMFEKW-RQJABVFESA-N 1 0 233.355 2.336 20 30 BEEDRO CN(CCC#N)C[C@H]1CCC(C)(C)CO1 ZINC000713618207 712467035 /nfs/dbraw/zinc/46/70/35/712467035.db2.gz IUXOQJTWCHQHML-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CN(CCC#N)C[C@@H]1CCC(C)(C)CO1 ZINC000713618212 712467155 /nfs/dbraw/zinc/46/71/55/712467155.db2.gz IUXOQJTWCHQHML-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000714443723 712489108 /nfs/dbraw/zinc/48/91/08/712489108.db2.gz PTARMYUHLXCUFB-OKILXGFUSA-N 1 0 230.311 2.073 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000714487247 712492432 /nfs/dbraw/zinc/49/24/32/712492432.db2.gz DVIPASYILLAERU-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000714490276 712492491 /nfs/dbraw/zinc/49/24/91/712492491.db2.gz WQWJSVOQARIAGK-GASCZTMLSA-N 1 0 229.323 2.053 20 30 BEEDRO C=CCCSCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715107945 712509282 /nfs/dbraw/zinc/50/92/82/712509282.db2.gz OFBDYJVFXYGLLA-NSHDSACASA-N 1 0 245.388 2.037 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000715742380 712531057 /nfs/dbraw/zinc/53/10/57/712531057.db2.gz YMLIPOGECVZELB-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715835945 712534778 /nfs/dbraw/zinc/53/47/78/712534778.db2.gz LYSONAUDFLBVIB-QWRGUYRKSA-N 1 0 222.336 2.211 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000715851402 712536557 /nfs/dbraw/zinc/53/65/57/712536557.db2.gz CHGXFFSOLHFROQ-WDEREUQCSA-N 1 0 222.336 2.303 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccns1 ZINC000715937701 712544003 /nfs/dbraw/zinc/54/40/03/712544003.db2.gz AXEXVLWUAAZKQG-RKDXNWHRSA-N 1 0 209.318 2.486 20 30 BEEDRO Cc1n[nH]c(C[NH2+]CC(C)(C)CCC#N)c1C ZINC000716459929 712562656 /nfs/dbraw/zinc/56/26/56/712562656.db2.gz PLWCIIPNJGJEHR-UHFFFAOYSA-N 1 0 234.347 2.446 20 30 BEEDRO C[N@H+](CCCF)Cc1ccc(F)c(C#N)c1 ZINC000716639183 712568536 /nfs/dbraw/zinc/56/85/36/712568536.db2.gz GFMJMOOYJVZPTQ-UHFFFAOYSA-N 1 0 224.254 2.489 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(C#N)cs1 ZINC000716796697 712574186 /nfs/dbraw/zinc/57/41/86/712574186.db2.gz GGFREBNGEIBSHF-ONGXEEELSA-N 1 0 238.356 2.259 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C#N)s1 ZINC000716796072 712574382 /nfs/dbraw/zinc/57/43/82/712574382.db2.gz FRUNGWIYGKMIJS-VHSXEESVSA-N 1 0 238.356 2.259 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1cccc(C#N)c1 ZINC000716811611 712575747 /nfs/dbraw/zinc/57/57/47/712575747.db2.gz OHRYIVKHXBRZCA-BXUZGUMPSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)cc1F ZINC000716829125 712577289 /nfs/dbraw/zinc/57/72/89/712577289.db2.gz OYPXXLOUMQMELX-CYBMUJFWSA-N 1 0 235.302 2.262 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614732 712589304 /nfs/dbraw/zinc/58/93/04/712589304.db2.gz AFOBRFGRAWSDHN-SECBINFHSA-N 1 0 248.286 2.131 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(Cl)o1 ZINC000716927409 712596277 /nfs/dbraw/zinc/59/62/77/712596277.db2.gz BAWRDSVRLJOQDW-SECBINFHSA-N 1 0 227.691 2.061 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(Cl)o1 ZINC000716927415 712596107 /nfs/dbraw/zinc/59/61/07/712596107.db2.gz BAWRDSVRLJOQDW-VIFPVBQESA-N 1 0 227.691 2.061 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000716930287 712596872 /nfs/dbraw/zinc/59/68/72/712596872.db2.gz ZQJQCEKRCMWITI-RWMBFGLXSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000716932356 712596919 /nfs/dbraw/zinc/59/69/19/712596919.db2.gz DJNXXYOQPHDKFV-HZPDHXFCSA-N 1 0 243.350 2.172 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccsc1C ZINC000716930272 712596935 /nfs/dbraw/zinc/59/69/35/712596935.db2.gz ZKSREZSUJPILEX-LBPRGKRZSA-N 1 0 223.341 2.184 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(CC)s1 ZINC000716934947 712597292 /nfs/dbraw/zinc/59/72/92/712597292.db2.gz LXXRXJQLYKCTKP-NSHDSACASA-N 1 0 237.368 2.438 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CCc1ccco1 ZINC000716933482 712597332 /nfs/dbraw/zinc/59/73/32/712597332.db2.gz IFHBRIFRTRUCTR-STQMWFEESA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000716936220 712597739 /nfs/dbraw/zinc/59/77/39/712597739.db2.gz RUBMPDOWYMZAFK-AWEZNQCLSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]CCCCC(C)C ZINC000716958250 712600345 /nfs/dbraw/zinc/60/03/45/712600345.db2.gz QRPIMZDSQAUPPJ-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](C)CC1 ZINC000379814479 712607722 /nfs/dbraw/zinc/60/77/22/712607722.db2.gz BMHBXXSBZCTASI-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000848923631 712610048 /nfs/dbraw/zinc/61/00/48/712610048.db2.gz HMWNEKMANRTFOK-GFCCVEGCSA-N 1 0 241.338 2.199 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](CC(C)C)C1 ZINC000851795143 712612432 /nfs/dbraw/zinc/61/24/32/712612432.db2.gz QKOLGQKDIUUZSR-ZDUSSCGKSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CC[C@H](C)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717157631 712638054 /nfs/dbraw/zinc/63/80/54/712638054.db2.gz BYLVBPQLCYBPFS-AEJSXWLSSA-N 1 0 236.281 2.163 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]C[C@@H]1CCC=CO1 ZINC000379981662 712643650 /nfs/dbraw/zinc/64/36/50/712643650.db2.gz YOWKZAOKPWSWNN-HNNXBMFYSA-N 1 0 227.307 2.320 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]C[C@H]1CCC=CO1 ZINC000379981663 712643709 /nfs/dbraw/zinc/64/37/09/712643709.db2.gz YOWKZAOKPWSWNN-OAHLLOKOSA-N 1 0 227.307 2.320 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](CCC)C1CCC1 ZINC000717710516 712666185 /nfs/dbraw/zinc/66/61/85/712666185.db2.gz QBXOFKUGMJXKCV-UONOGXRCSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]CCCCC(C)C ZINC000717762315 712674396 /nfs/dbraw/zinc/67/43/96/712674396.db2.gz AZCMFZCNYLZEMG-CYBMUJFWSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]CC1CCC(C)(C)CC1 ZINC000717840110 712686728 /nfs/dbraw/zinc/68/67/28/712686728.db2.gz DGOZCNDSKRRJHF-ZDUSSCGKSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718761892 712781214 /nfs/dbraw/zinc/78/12/14/712781214.db2.gz UWFJOQADFXMBPZ-QWHCGFSZSA-N 1 0 241.400 2.290 20 30 BEEDRO Cc1cc(C#N)ccc1NC[C@@H](C)[NH+](C)C ZINC000038089156 712806646 /nfs/dbraw/zinc/80/66/46/712806646.db2.gz BHZZADASPXANNQ-LLVKDONJSA-N 1 0 217.316 2.229 20 30 BEEDRO Cc1cc(C#N)ccc1NC[C@H](C)[NH+](C)C ZINC000038089157 712806663 /nfs/dbraw/zinc/80/66/63/712806663.db2.gz BHZZADASPXANNQ-NSHDSACASA-N 1 0 217.316 2.229 20 30 BEEDRO Cc1cc(C#N)ccc1N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719573617 712809660 /nfs/dbraw/zinc/80/96/60/712809660.db2.gz XCPBBGJJHYAJOZ-SMDDNHRTSA-N 1 0 229.327 2.371 20 30 BEEDRO Cc1cc(C#N)ccc1N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719573601 712809664 /nfs/dbraw/zinc/80/96/64/712809664.db2.gz XCPBBGJJHYAJOZ-BXUZGUMPSA-N 1 0 229.327 2.371 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cccc(C#N)c1 ZINC000719649080 712820473 /nfs/dbraw/zinc/82/04/73/712820473.db2.gz SPZQIVWHSUWZSL-YWPYICTPSA-N 1 0 243.354 2.301 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cccc(C#N)c1 ZINC000719649083 712820749 /nfs/dbraw/zinc/82/07/49/712820749.db2.gz SPZQIVWHSUWZSL-ZOWXZIJZSA-N 1 0 243.354 2.301 20 30 BEEDRO C[C@H]1[C@@H](Nc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000719760270 712822438 /nfs/dbraw/zinc/82/24/38/712822438.db2.gz QVHYHAWOXBBBJI-CABZTGNLSA-N 1 0 233.290 2.202 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCO1 ZINC000380217159 712826978 /nfs/dbraw/zinc/82/69/78/712826978.db2.gz IMOCAORWWIDOIB-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000720243086 712829894 /nfs/dbraw/zinc/82/98/94/712829894.db2.gz RXHZRRCIPHIDBS-JTQLQIEISA-N 1 0 212.337 2.329 20 30 BEEDRO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361727 712835335 /nfs/dbraw/zinc/83/53/35/712835335.db2.gz COIYPLSZTQXWSU-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO CCCNC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305150546 712840387 /nfs/dbraw/zinc/84/03/87/712840387.db2.gz KGYKUYXDBLPJOP-UHFFFAOYSA-N 1 0 244.342 2.025 20 30 BEEDRO C=CC[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720781339 712865639 /nfs/dbraw/zinc/86/56/39/712865639.db2.gz SDJMCNRTJCSKQL-JTQLQIEISA-N 1 0 203.285 2.286 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720791013 712865850 /nfs/dbraw/zinc/86/58/50/712865850.db2.gz QCIQLABMUKOMKB-SMDDNHRTSA-N 1 0 247.338 2.037 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000720865892 712871544 /nfs/dbraw/zinc/87/15/44/712871544.db2.gz RDKKUPUCAZODMW-RDBSUJKOSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCC)C[C@@H]1CC ZINC001037766122 712886552 /nfs/dbraw/zinc/88/65/52/712886552.db2.gz LCTANSVXCBYUPD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC)C[C@@H]1CC ZINC001037753251 712886829 /nfs/dbraw/zinc/88/68/29/712886829.db2.gz WYZOJCJBHNANHY-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC(C(F)F)C1 ZINC000380352493 712892394 /nfs/dbraw/zinc/89/23/94/712892394.db2.gz VROZLRZKJRQFBX-UHFFFAOYSA-N 1 0 219.275 2.212 20 30 BEEDRO CS[C@@H](C)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC001208148384 957020351 /nfs/dbraw/zinc/02/03/51/957020351.db2.gz RUVNHXDBBHCJFE-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001209200524 957349774 /nfs/dbraw/zinc/34/97/74/957349774.db2.gz JECKFZRBCMTYSQ-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(Cl)CN(CC)CCNC(=O)[C@H](C)CC ZINC001266378026 957409000 /nfs/dbraw/zinc/40/90/00/957409000.db2.gz MWYLXRHUCKYARY-SNVBAGLBSA-N 1 0 246.782 2.223 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001266475844 957617139 /nfs/dbraw/zinc/61/71/39/957617139.db2.gz NHJXDZSPLTUYQA-FPMFFAJLSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C1(CC)CCC1 ZINC001266963498 958669585 /nfs/dbraw/zinc/66/95/85/958669585.db2.gz FIULHYYOSIXDDH-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)CC(C)(C)C ZINC001267236368 959268029 /nfs/dbraw/zinc/26/80/29/959268029.db2.gz NGTSNVGNWTVIKA-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[C@H](CC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217924549 959771636 /nfs/dbraw/zinc/77/16/36/959771636.db2.gz JVTSIVSPKDDTSS-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CC(C)(C)C)C1 ZINC001267620882 960138106 /nfs/dbraw/zinc/13/81/06/960138106.db2.gz IFCZKYOOKPFEIB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@](C)(O)C1CC1 ZINC000695813173 960490552 /nfs/dbraw/zinc/49/05/52/960490552.db2.gz SFTGQNBKYFPCSP-GXFFZTMASA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H](C)CCCO ZINC000695838837 960498021 /nfs/dbraw/zinc/49/80/21/960498021.db2.gz ZTJCYTYXLQIJIJ-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO Cc1cc(C#N)ccc1NCCC[NH+](C)C ZINC000037732597 961041939 /nfs/dbraw/zinc/04/19/39/961041939.db2.gz NWJYGLYQHSCWBI-UHFFFAOYSA-N 1 0 217.316 2.230 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)OCc1ccsc1 ZINC001223336708 961214556 /nfs/dbraw/zinc/21/45/56/961214556.db2.gz QRNGSHAMCPOZMW-GFCCVEGCSA-N 1 0 239.364 2.253 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@@H]1C ZINC001268430985 961768962 /nfs/dbraw/zinc/76/89/62/961768962.db2.gz AGNKLRNKKLYWCE-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)F ZINC001481784416 961823264 /nfs/dbraw/zinc/82/32/64/961823264.db2.gz ZSJMJDHFZZODTP-NSHDSACASA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@H](C)C1CCC1 ZINC001268458075 961836541 /nfs/dbraw/zinc/83/65/41/961836541.db2.gz DBCCEKPTDBOGIW-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)C(=C)C ZINC001481839637 961843619 /nfs/dbraw/zinc/84/36/19/961843619.db2.gz YYTOZQLYDWWOJO-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(F)nc2)CC1 ZINC000843427004 962009195 /nfs/dbraw/zinc/00/91/95/962009195.db2.gz QGZZRRBUFFBORN-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C[C@@H](C)CC ZINC001157147339 963546263 /nfs/dbraw/zinc/54/62/63/963546263.db2.gz JZTJJCZHYMTAEB-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO SCCCNc1[nH+]ccc2[nH]ccc21 ZINC001159870493 964220231 /nfs/dbraw/zinc/22/02/31/964220231.db2.gz ZJXHRTZBHRZGSE-UHFFFAOYSA-N 1 0 207.302 2.295 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C1(C)CCCC1 ZINC001482859387 964221088 /nfs/dbraw/zinc/22/10/88/964221088.db2.gz JJZJHSRZWCDIRB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OCC1CC[NH+](C)CC1 ZINC001224452320 964653702 /nfs/dbraw/zinc/65/37/02/964653702.db2.gz FPZMCMCANGPHAM-KGLIPLIRSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C1(C)CC1 ZINC001483130419 964739384 /nfs/dbraw/zinc/73/93/84/964739384.db2.gz OTITZAPZSQYAGY-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]C[C@H](C)CC ZINC001483132020 964747316 /nfs/dbraw/zinc/74/73/16/964747316.db2.gz WLBDIWAJDSBXIK-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO CCCCCCN(O)C(=O)C[NH+](CC)CC ZINC001161826954 964773406 /nfs/dbraw/zinc/77/34/06/964773406.db2.gz QRTFCYOWWMYZDO-UHFFFAOYSA-N 1 0 230.352 2.126 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)C1CC(C)C1 ZINC001483219115 964869616 /nfs/dbraw/zinc/86/96/16/964869616.db2.gz HBIOGFVTPSDDEM-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1(CC)CC1 ZINC001507121879 964953892 /nfs/dbraw/zinc/95/38/92/964953892.db2.gz KTZMCIOYPURTPP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC ZINC001272270933 965234333 /nfs/dbraw/zinc/23/43/33/965234333.db2.gz KQSQATHFKWVATB-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC1([NH2+]CCO[C@@H](C)C#N)CCCC1 ZINC000690721888 965330579 /nfs/dbraw/zinc/33/05/79/965330579.db2.gz JJIZZJRMBQIMIN-LBPRGKRZSA-N 1 0 222.332 2.394 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H]1C ZINC001088997066 965408063 /nfs/dbraw/zinc/40/80/63/965408063.db2.gz YIECJMLKWURFSW-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH2+]CCCC ZINC001163861183 965609668 /nfs/dbraw/zinc/60/96/68/965609668.db2.gz WGFGLKZHWYWOTH-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C1(CC)CCC1 ZINC001164251702 965808958 /nfs/dbraw/zinc/80/89/58/965808958.db2.gz QDAFLIUXGBLFJL-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH2+]CCCC ZINC001165929071 966203138 /nfs/dbraw/zinc/20/31/38/966203138.db2.gz HENKDVBUUNQUSG-CQSZACIVSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C1(C)CC(=C)C1 ZINC001166245700 966261677 /nfs/dbraw/zinc/26/16/77/966261677.db2.gz NARBUSGOKRXYIJ-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)/C=C(/C)C2CC2)C1 ZINC001691767130 1165749347 /nfs/dbraw/zinc/74/93/47/1165749347.db2.gz ACTOEQNOUYCOTG-LGLPYPHISA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)/C(C)=C\CC ZINC001716472418 1165759953 /nfs/dbraw/zinc/75/99/53/1165759953.db2.gz HUJYATTVBULLTA-SUIFULHWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](NC(C)=O)C(C)(C)C ZINC001717952702 1165769331 /nfs/dbraw/zinc/76/93/31/1165769331.db2.gz LSCKQKMWTXIAKB-YPMHNXCESA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)/C=C/C(C)(C)C ZINC001124884278 966708134 /nfs/dbraw/zinc/70/81/34/966708134.db2.gz ZTYPXHSFGUBLFH-AATRIKPKSA-N 1 0 244.766 2.047 20 30 BEEDRO CCCCCCCNC(=O)N1CC[C@@](C)([NH3+])C1 ZINC001239258242 966844841 /nfs/dbraw/zinc/84/48/41/966844841.db2.gz QKDLOAYSMDUZME-CYBMUJFWSA-N 1 0 241.379 2.090 20 30 BEEDRO C=CCCCCCCCN1C[C@H]([NH3+])[C@@H](F)C1 ZINC001204891378 967218367 /nfs/dbraw/zinc/21/83/67/967218367.db2.gz MLMBVUUQCMHCNQ-STQMWFEESA-N 1 0 228.355 2.494 20 30 BEEDRO N#CC1(C[NH2+]C2CC3(CCC3)C2)CCOCC1 ZINC001653238778 1165890912 /nfs/dbraw/zinc/89/09/12/1165890912.db2.gz PGMBUCINMSZYDN-UHFFFAOYSA-N 1 0 234.343 2.229 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)CCC ZINC001753951958 1165893150 /nfs/dbraw/zinc/89/31/50/1165893150.db2.gz MELRMZNKNLVBJS-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)CC)C1CC1 ZINC001670444536 1165905023 /nfs/dbraw/zinc/90/50/23/1165905023.db2.gz XOINSWDQPJFZHC-AAEUAGOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@@H](NC(=O)C1CC=CC1)C1CC1 ZINC001670454374 1165910424 /nfs/dbraw/zinc/91/04/24/1165910424.db2.gz BGURDWDFITZIJD-CQSZACIVSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001670600485 1165966827 /nfs/dbraw/zinc/96/68/27/1165966827.db2.gz DPCRQCYRDYAAGN-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H](O)CC ZINC001252135481 968609711 /nfs/dbraw/zinc/60/97/11/968609711.db2.gz DCMQSDIXZUQWFY-KBPBESRZSA-N 1 0 245.407 2.458 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000382375308 1166062009 /nfs/dbraw/zinc/06/20/09/1166062009.db2.gz HTOPVHXSJSDXAP-WOPDTQHZSA-N 1 0 209.358 2.131 20 30 BEEDRO C=CCC1([NH2+]CCO[C@H](C)C#N)CCCC1 ZINC000690721886 1166075950 /nfs/dbraw/zinc/07/59/50/1166075950.db2.gz JJIZZJRMBQIMIN-GFCCVEGCSA-N 1 0 222.332 2.394 20 30 BEEDRO CC1(C)C[C@@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC001207350698 968733115 /nfs/dbraw/zinc/73/31/15/968733115.db2.gz QROQNENADTWQNH-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H]1CCCCC1(C)C ZINC001252492072 968749534 /nfs/dbraw/zinc/74/95/34/968749534.db2.gz AMQVLGXGRULCAX-OLZOCXBDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCCC ZINC001691062308 1166111069 /nfs/dbraw/zinc/11/10/69/1166111069.db2.gz QAWCSZJMVYNRDN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@](C)(O)CNc1cccc(C[NH+](C)C)c1 ZINC001252559713 968804196 /nfs/dbraw/zinc/80/41/96/968804196.db2.gz BGRDKEZRYBMDQJ-CQSZACIVSA-N 1 0 234.343 2.097 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CCC[N@H+]1C(C)C ZINC001691095171 1166132213 /nfs/dbraw/zinc/13/22/13/1166132213.db2.gz SMYZZSDLLQFQIT-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001252599833 968855683 /nfs/dbraw/zinc/85/56/83/968855683.db2.gz LJCPOVAPTXBUCV-GHMZBOCLSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CC2(C1)CCCC2 ZINC001252597328 968856721 /nfs/dbraw/zinc/85/67/21/968856721.db2.gz YKOSLVVISMJLGA-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)CC12CC2 ZINC001252602717 968858319 /nfs/dbraw/zinc/85/83/19/968858319.db2.gz WDFVZSGIMKGLKU-NWDGAFQWSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1ccncc1 ZINC001252618024 968878223 /nfs/dbraw/zinc/87/82/23/968878223.db2.gz CBWVTDMKTUVBME-ZDUSSCGKSA-N 1 0 234.343 2.233 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001691168693 1166151361 /nfs/dbraw/zinc/15/13/61/1166151361.db2.gz MCIQFGBLJGFBOH-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001691168694 1166151587 /nfs/dbraw/zinc/15/15/87/1166151587.db2.gz MCIQFGBLJGFBOH-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC000129168957 1166158458 /nfs/dbraw/zinc/15/84/58/1166158458.db2.gz JBQWWZFKBKTWGW-NWDGAFQWSA-N 1 0 237.343 2.110 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC000129168736 1166158010 /nfs/dbraw/zinc/15/80/10/1166158010.db2.gz JBQWWZFKBKTWGW-VXGBXAGGSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C[C@H](C)CC ZINC001691303012 1166191612 /nfs/dbraw/zinc/19/16/12/1166191612.db2.gz HPNZDQZSLSKXPD-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CCCCCF ZINC001155587059 969016888 /nfs/dbraw/zinc/01/68/88/969016888.db2.gz VYUBWLXOELNNOE-UHFFFAOYSA-N 1 0 244.354 2.188 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCC#N ZINC001253228391 969115301 /nfs/dbraw/zinc/11/53/01/969115301.db2.gz SZSRDIGAQZRJBW-CYBMUJFWSA-N 1 0 224.348 2.377 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)/C(C)=C\CC)C1 ZINC001691425367 1166238868 /nfs/dbraw/zinc/23/88/68/1166238868.db2.gz PBADXHRHCOCURJ-JZMZOOAYSA-N 1 0 236.359 2.013 20 30 BEEDRO CCCCC[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC001253518507 969195496 /nfs/dbraw/zinc/19/54/96/969195496.db2.gz LNXFPCSDEKSLPX-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C[NH+]1CCC(=Nc2sccc2C#N)CC1 ZINC001208718185 969201289 /nfs/dbraw/zinc/20/12/89/969201289.db2.gz JUGMFXLPIXVZBI-UHFFFAOYSA-N 1 0 219.313 2.251 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001253603137 969300521 /nfs/dbraw/zinc/30/05/21/969300521.db2.gz QZCDHNDHYDZXEY-WCQYABFASA-N 1 0 237.730 2.464 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)/C(C)=C/C ZINC001725166661 1166318985 /nfs/dbraw/zinc/31/89/85/1166318985.db2.gz ZODMYHVFLKYVLS-WHGQRRHOSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001253610854 969313605 /nfs/dbraw/zinc/31/36/05/969313605.db2.gz YKFVFTXAFRNBGJ-CYBMUJFWSA-N 1 0 237.318 2.283 20 30 BEEDRO CCC[N@H+](CCC#N)C[C@@H](O)C(C)(C)C ZINC001253727084 969349543 /nfs/dbraw/zinc/34/95/43/969349543.db2.gz AUNWNGKMJHVTTC-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C=CCCC[N@@H+](CC)C1CCN(C)CC1 ZINC001209161584 969361501 /nfs/dbraw/zinc/36/15/01/969361501.db2.gz MYTHRMRNSOLPIZ-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC)C1 ZINC001209205004 969391609 /nfs/dbraw/zinc/39/16/09/969391609.db2.gz ODSWCMPKBXHQRC-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000328009262 1166392164 /nfs/dbraw/zinc/39/21/64/1166392164.db2.gz PORFCSJMJNCYEM-CABCVRRESA-N 1 0 236.403 2.500 20 30 BEEDRO C=CC[N@H+](C)CCCCNC(=O)OC(C)(C)C ZINC001209366082 969447043 /nfs/dbraw/zinc/44/70/43/969447043.db2.gz SMJWNYULCKYIBF-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)C1(C)CC1 ZINC001267314104 1166404227 /nfs/dbraw/zinc/40/42/27/1166404227.db2.gz INSGGMRMWTWMFD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001209423424 969494092 /nfs/dbraw/zinc/49/40/92/969494092.db2.gz PRHHUQUTVXJZBX-NWDGAFQWSA-N 1 0 215.312 2.402 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000229204987 1166435997 /nfs/dbraw/zinc/43/59/97/1166435997.db2.gz NMEWIHPLOSQOIS-KCJUWKMLSA-N 1 0 227.254 2.162 20 30 BEEDRO N#C[C@H]1CC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC001254224278 969546309 /nfs/dbraw/zinc/54/63/09/969546309.db2.gz UTKAIFNZICRRET-SECBINFHSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](CC)CCC ZINC001169434367 969647850 /nfs/dbraw/zinc/64/78/50/969647850.db2.gz KGYMCKSQRZTNAC-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO CCC[C@@](C)(C#N)N[C@H]1CCC[N@H+](C)CC1 ZINC001254509932 969678261 /nfs/dbraw/zinc/67/82/61/969678261.db2.gz KMEKNQFUWHJUST-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO C=CC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000393606398 1166478685 /nfs/dbraw/zinc/47/86/85/1166478685.db2.gz MXDLZXJCJKJQDG-SNVBAGLBSA-N 1 0 224.329 2.270 20 30 BEEDRO CCCN(CCC)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254636250 969753298 /nfs/dbraw/zinc/75/32/98/969753298.db2.gz IXDVFPVCDSQYLU-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@H]1F ZINC001254659982 969767758 /nfs/dbraw/zinc/76/77/58/969767758.db2.gz FMBUZBUESCPPDJ-NOOOWODRSA-N 1 0 210.296 2.359 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H]1C[C@]1(C)CC ZINC001169764953 969845340 /nfs/dbraw/zinc/84/53/40/969845340.db2.gz ATCFFLNMXPLBDQ-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001691486458 1166548522 /nfs/dbraw/zinc/54/85/22/1166548522.db2.gz HYNIPYBQKWGMBU-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](CC)CC#N)C1 ZINC001255165281 969977680 /nfs/dbraw/zinc/97/76/80/969977680.db2.gz WKOPABPKCJTAGZ-IJLUTSLNSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001255165567 969978283 /nfs/dbraw/zinc/97/82/83/969978283.db2.gz YMMCBULIWVLAQI-MGPQQGTHSA-N 1 0 237.391 2.387 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC001255341226 970119308 /nfs/dbraw/zinc/11/93/08/970119308.db2.gz BGJMWVGBULHZKG-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC001255341225 970118636 /nfs/dbraw/zinc/11/86/36/970118636.db2.gz BGJMWVGBULHZKG-RYUDHWBXSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]CCCS)C1 ZINC001255344632 970121632 /nfs/dbraw/zinc/12/16/32/970121632.db2.gz RJEWXNUHVJUHLB-GHMZBOCLSA-N 1 0 245.388 2.018 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787293 1166684566 /nfs/dbraw/zinc/68/45/66/1166684566.db2.gz LQDWYTBMFBMHLL-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787298 1166684583 /nfs/dbraw/zinc/68/45/83/1166684583.db2.gz LQDWYTBMFBMHLL-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000695811652 1166688905 /nfs/dbraw/zinc/68/89/05/1166688905.db2.gz JZJVSYSHGPWDTM-OUAUKWLOSA-N 1 0 224.348 2.064 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1=CCCC1 ZINC001267980232 1166729803 /nfs/dbraw/zinc/72/98/03/1166729803.db2.gz JSSHOMNTQISPHU-GFCCVEGCSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H](C)c1ccccc1 ZINC001481305905 1166741316 /nfs/dbraw/zinc/74/13/16/1166741316.db2.gz SLGPUUHRSIFCBE-CYBMUJFWSA-N 1 0 246.354 2.024 20 30 BEEDRO Cc1ccc(C[NH2+]CC(C)(C)CCC#N)nn1 ZINC000396553362 1166744756 /nfs/dbraw/zinc/74/47/56/1166744756.db2.gz POBZYHCDXXPVBB-UHFFFAOYSA-N 1 0 232.331 2.205 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](CCO)C(C)C ZINC000686679761 1166745733 /nfs/dbraw/zinc/74/57/33/1166745733.db2.gz ODNHDOTWDHRNHW-ZDUSSCGKSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCCCCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000686682019 1166747046 /nfs/dbraw/zinc/74/70/46/1166747046.db2.gz IFQGMNJXJJQBSX-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C1CCCC1 ZINC001714203886 1166805970 /nfs/dbraw/zinc/80/59/70/1166805970.db2.gz CANXQNVEWMXNJL-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CCC[C@H]1C#N ZINC001255954838 970586043 /nfs/dbraw/zinc/58/60/43/970586043.db2.gz IXXQPGKFAWRHHG-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)Cc1cccs1 ZINC000380174150 1166841822 /nfs/dbraw/zinc/84/18/22/1166841822.db2.gz IXQMGOKVJJASOZ-GHMZBOCLSA-N 1 0 225.357 2.470 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C[C@H](C)CC ZINC001716133286 1166841860 /nfs/dbraw/zinc/84/18/60/1166841860.db2.gz AAFHHAMTZGUXOF-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)CC ZINC001716133287 1166842425 /nfs/dbraw/zinc/84/24/25/1166842425.db2.gz AAFHHAMTZGUXOF-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CC[C@@](C)(C#N)C1 ZINC001255972595 970608015 /nfs/dbraw/zinc/60/80/15/970608015.db2.gz UYOGEUXOLHWAIT-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(CCC)CC1 ZINC001282183044 1166883418 /nfs/dbraw/zinc/88/34/18/1166883418.db2.gz FKZQJXSLVQWDBZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH+]1CCC(CCCO)CC1 ZINC000400993016 970654488 /nfs/dbraw/zinc/65/44/88/970654488.db2.gz APKXFTFAMMSMDJ-UHFFFAOYSA-N 1 0 217.740 2.223 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC1 ZINC001753675677 1166901502 /nfs/dbraw/zinc/90/15/02/1166901502.db2.gz IVDSVIABJPDTBD-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1c(N)cc[nH+]c1NCC(C)(C)S ZINC001170302323 970689533 /nfs/dbraw/zinc/68/95/33/970689533.db2.gz FUJAGFYTDJJGJG-UHFFFAOYSA-N 1 0 211.334 2.093 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@H]1COCC[C@@H]1O ZINC000710907314 1167000386 /nfs/dbraw/zinc/00/03/86/1167000386.db2.gz RFJHGPJVXUUMKC-IHRRRGAJSA-N 1 0 243.391 2.475 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC000397771648 1167022732 /nfs/dbraw/zinc/02/27/32/1167022732.db2.gz HHKYSUKSQGSNJD-HSBZDZAISA-N 1 0 236.359 2.163 20 30 BEEDRO CCSC[C@H](C)[NH+]1CCC(C#N)CC1 ZINC001173301541 975199807 /nfs/dbraw/zinc/19/98/07/975199807.db2.gz WCPSMLIUYFECIE-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C=C(C)C ZINC001270347402 1167059334 /nfs/dbraw/zinc/05/93/34/1167059334.db2.gz KDJFXMBJXMRZJC-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCCCC(=O)N[C@@]1(C)CC[N@H+](CC=C)C1 ZINC001270624838 1167070986 /nfs/dbraw/zinc/07/09/86/1167070986.db2.gz UFATUGBGOFZVKQ-AWEZNQCLSA-N 1 0 236.359 2.109 20 30 BEEDRO N#CCC1CCC([NH2+]CC2(CO)CCC2)CC1 ZINC001173326407 975274162 /nfs/dbraw/zinc/27/41/62/975274162.db2.gz YVGYSACNALLSEL-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO N#CCC1CCC([N@@H+]2CCOCC23CC3)CC1 ZINC001173336788 975283105 /nfs/dbraw/zinc/28/31/05/975283105.db2.gz LOFARIKEKWILQU-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO N#CCC1CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001173330828 975280624 /nfs/dbraw/zinc/28/06/24/975280624.db2.gz FVJRUVZEIUNMAQ-UHFFFAOYSA-N 1 0 234.343 2.037 20 30 BEEDRO C#CC1([NH2+]C2CCC(OCC=C)CC2)CC1 ZINC001173317840 975305406 /nfs/dbraw/zinc/30/54/06/975305406.db2.gz KJKHXBHBXLYEQT-UHFFFAOYSA-N 1 0 219.328 2.256 20 30 BEEDRO C=CCOC1CCC([NH2+]C2CC(C#N)C2)CC1 ZINC001173317694 975305606 /nfs/dbraw/zinc/30/56/06/975305606.db2.gz NSHKNUZHDKLYLC-UHFFFAOYSA-N 1 0 234.343 2.392 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000122733648 1167114242 /nfs/dbraw/zinc/11/42/42/1167114242.db2.gz SWUBUCLMBMMYJL-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@](C)(C=C)CC)C1 ZINC001752758197 1167147758 /nfs/dbraw/zinc/14/77/58/1167147758.db2.gz OSOYPIQOOARSMK-SCRDCRAPSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1C[C@H]([NH2+]CC=C)C1 ZINC001691517590 1167149422 /nfs/dbraw/zinc/14/94/22/1167149422.db2.gz TWHNEJOHMPRMMT-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000307740098 1167159506 /nfs/dbraw/zinc/15/95/06/1167159506.db2.gz MQJBEZAJDBHIRA-GOEBONIOSA-N 1 0 242.366 2.262 20 30 BEEDRO CO[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@@H]1F ZINC001173591964 975437993 /nfs/dbraw/zinc/43/79/93/975437993.db2.gz AJVFLPKUQVDRQT-ZFQMDJOTSA-N 1 0 240.322 2.128 20 30 BEEDRO COC(=O)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591332 975438209 /nfs/dbraw/zinc/43/82/09/975438209.db2.gz ZHLLSAPHSVWYEN-XSRFYTQQSA-N 1 0 238.331 2.000 20 30 BEEDRO CO[C@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173593088 975449729 /nfs/dbraw/zinc/44/97/29/975449729.db2.gz CWNGXGQLPMMVSP-CPCZMJQVSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000308863807 1167211797 /nfs/dbraw/zinc/21/17/97/1167211797.db2.gz CWAVIEWZGLIAMG-UHFFFAOYSA-N 1 0 221.691 2.263 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000308939313 1167225594 /nfs/dbraw/zinc/22/55/94/1167225594.db2.gz LTIFEWTTXXTOAA-WDEREUQCSA-N 1 0 209.289 2.440 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1sc(C)nc1C ZINC000309039630 1167241690 /nfs/dbraw/zinc/24/16/90/1167241690.db2.gz KNHJYSNQEQERGX-SNVBAGLBSA-N 1 0 226.345 2.051 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(Cl)nc1 ZINC000309049450 1167245890 /nfs/dbraw/zinc/24/58/90/1167245890.db2.gz QAGMVMCYMGEPCY-SNVBAGLBSA-N 1 0 226.707 2.026 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(C)c1O)C1CSC1 ZINC000895813456 1167257089 /nfs/dbraw/zinc/25/70/89/1167257089.db2.gz BTCAHEDJHRLDSA-UHFFFAOYSA-N 1 0 247.363 2.251 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)CC#N)CCO1 ZINC000309232918 1167271371 /nfs/dbraw/zinc/27/13/71/1167271371.db2.gz XBSMMAIZDNSYGB-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(CC)CCOCC1 ZINC000309350452 1167293643 /nfs/dbraw/zinc/29/36/43/1167293643.db2.gz MZIFZOXBJPSSHJ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000309369695 1167295488 /nfs/dbraw/zinc/29/54/88/1167295488.db2.gz BVEWUPAELAQCMX-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)OC ZINC001334094808 976301137 /nfs/dbraw/zinc/30/11/37/976301137.db2.gz RZMULJCZTVQZAS-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2ccccc21 ZINC000309490075 1167320686 /nfs/dbraw/zinc/32/06/86/1167320686.db2.gz WUSTUEVPWVPTKQ-GXTWGEPZSA-N 1 0 217.312 2.465 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)CCCC ZINC001126578640 1167335144 /nfs/dbraw/zinc/33/51/44/1167335144.db2.gz DWWKNBKWMQPMBC-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO CC[C@@]1([NH2+]CC2CCC(C#N)CC2)CCOC1 ZINC001335927568 977368326 /nfs/dbraw/zinc/36/83/26/977368326.db2.gz MDZCYJQRNOFSGL-JXQTWKCFSA-N 1 0 236.359 2.475 20 30 BEEDRO CCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(C#N)c1 ZINC000225600833 1167525810 /nfs/dbraw/zinc/52/58/10/1167525810.db2.gz SODKACVOPAJBPL-GFCCVEGCSA-N 1 0 249.289 2.153 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000381234398 1167536478 /nfs/dbraw/zinc/53/64/78/1167536478.db2.gz LOSLCOQAJVIYBU-AGIUHOORSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCC2(C1)OCCO2 ZINC000381298492 1167542641 /nfs/dbraw/zinc/54/26/41/1167542641.db2.gz HJEBRVMAINROLQ-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CCC(=C)C ZINC001700749906 1167599367 /nfs/dbraw/zinc/59/93/67/1167599367.db2.gz AUYFPWPFLPWXCQ-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC2(OC)CCC2)C1 ZINC001336754679 977920381 /nfs/dbraw/zinc/92/03/81/977920381.db2.gz LCKFBKXTBKYVNC-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000912447631 1167623638 /nfs/dbraw/zinc/62/36/38/1167623638.db2.gz HQZPXGHJVDCBHI-CQSZACIVSA-N 1 0 244.338 2.078 20 30 BEEDRO SC1CC[NH+](Cc2cnsc2)CC1 ZINC001232230874 977962923 /nfs/dbraw/zinc/96/29/23/977962923.db2.gz WCBQCYFUOHAIJP-UHFFFAOYSA-N 1 0 214.359 2.037 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC001336808967 977975673 /nfs/dbraw/zinc/97/56/73/977975673.db2.gz AJBYLIWKQXLXGD-OLZOCXBDSA-N 1 0 237.730 2.375 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC001336993078 978115436 /nfs/dbraw/zinc/11/54/36/978115436.db2.gz GFLGLSWODPCULA-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)OCC[NH+](C)C)O1 ZINC001206278520 978147160 /nfs/dbraw/zinc/14/71/60/978147160.db2.gz PLNQHVISISNKDP-JSGCOSHPSA-N 1 0 241.375 2.467 20 30 BEEDRO C[C@@H](OCC[NH+](C)C)c1ccccc1C#N ZINC001206285995 978234228 /nfs/dbraw/zinc/23/42/28/978234228.db2.gz GWYMXZGKNWOOJA-LLVKDONJSA-N 1 0 218.300 2.197 20 30 BEEDRO C[C@@H](O)C(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC001179730314 978745921 /nfs/dbraw/zinc/74/59/21/978745921.db2.gz VTAOZFFLGVLSBR-SECBINFHSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)C1(C)CC1 ZINC001277825738 978755883 /nfs/dbraw/zinc/75/58/83/978755883.db2.gz GCADKJWSRJOUQC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC1CC[NH+](Cc2ccn(CC)n2)CC1 ZINC001179862772 978785297 /nfs/dbraw/zinc/78/52/97/978785297.db2.gz DBQVAADXUQDYID-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@@H](C)[NH2+]CC1CC1 ZINC001277921124 978971240 /nfs/dbraw/zinc/97/12/40/978971240.db2.gz DWFADNMISOAAIU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC(C)(C)CCC[NH3+] ZINC001340163683 978984942 /nfs/dbraw/zinc/98/49/42/978984942.db2.gz LFQNGHNNEPNKQW-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCCCCCN1CC[NH2+][C@H]2C[C@H]21 ZINC001235285475 979016321 /nfs/dbraw/zinc/01/63/21/979016321.db2.gz RZKZESWFNKDXKV-QWHCGFSZSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CCC1CC1 ZINC001235451490 979048774 /nfs/dbraw/zinc/04/87/74/979048774.db2.gz KNXGIKSTVCFESX-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccccc1NCC ZINC001181645150 979202007 /nfs/dbraw/zinc/20/20/07/979202007.db2.gz AEDXVACKTYNRGG-LLVKDONJSA-N 1 0 202.301 2.230 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)CC(C)C)C1 ZINC001484027255 1168222357 /nfs/dbraw/zinc/22/23/57/1168222357.db2.gz KVOJYUNAQLWMBE-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](CC)CCC ZINC001341397236 979373519 /nfs/dbraw/zinc/37/35/19/979373519.db2.gz CPIPNJRWOHZWIX-RYUDHWBXSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC001341400854 979373211 /nfs/dbraw/zinc/37/32/11/979373211.db2.gz KYPGVJQVESAGSW-STQMWFEESA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC001341466452 979418328 /nfs/dbraw/zinc/41/83/28/979418328.db2.gz QZYSBQQKAHWJTG-AVGNSLFASA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001484975199 1168239910 /nfs/dbraw/zinc/23/99/10/1168239910.db2.gz CMIDBHIGADAATJ-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001484975198 1168240566 /nfs/dbraw/zinc/24/05/66/1168240566.db2.gz CMIDBHIGADAATJ-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)CCC ZINC001124948089 1168257020 /nfs/dbraw/zinc/25/70/20/1168257020.db2.gz ZDWWMDOEQYMSHP-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC001342455715 979805297 /nfs/dbraw/zinc/80/52/97/979805297.db2.gz QUQGXGCODLVXLF-STQMWFEESA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C/C ZINC001733968865 1168347138 /nfs/dbraw/zinc/34/71/38/1168347138.db2.gz VDQZSGYMWYAIQO-XJUJAYADSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C/C ZINC001733968863 1168347440 /nfs/dbraw/zinc/34/74/40/1168347440.db2.gz VDQZSGYMWYAIQO-SXSOHVCJSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC)C1 ZINC001734105061 1168349548 /nfs/dbraw/zinc/34/95/48/1168349548.db2.gz ABYPWEDBJLTUIU-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC)C1 ZINC001734105060 1168348324 /nfs/dbraw/zinc/34/83/24/1168348324.db2.gz ABYPWEDBJLTUIU-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000085356756 1168389479 /nfs/dbraw/zinc/38/94/79/1168389479.db2.gz HNBDDXCKSDMZJH-CHWSQXEVSA-N 1 0 243.310 2.014 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC1CC[NH2+]CC1 ZINC001343574720 980153476 /nfs/dbraw/zinc/15/34/76/980153476.db2.gz KKULKJRPYUZOOI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001343822339 980249586 /nfs/dbraw/zinc/24/95/86/980249586.db2.gz DUSRZQLLAGJWES-SECBINFHSA-N 1 0 223.238 2.216 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC=CCC2)C1 ZINC001086305904 1168469016 /nfs/dbraw/zinc/46/90/16/1168469016.db2.gz LTDHCSYCQQOSRI-MGPQQGTHSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(C)CCC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC001344611038 980444247 /nfs/dbraw/zinc/44/42/47/980444247.db2.gz ZWHKAGANGGMIGD-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC)C1 ZINC001188520605 980654519 /nfs/dbraw/zinc/65/45/19/980654519.db2.gz USSVSAGWZHNTOJ-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC001345645264 980659485 /nfs/dbraw/zinc/65/94/85/980659485.db2.gz APKRMQMTPIQOGA-JTQLQIEISA-N 1 0 226.364 2.091 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC001346351942 980817639 /nfs/dbraw/zinc/81/76/39/980817639.db2.gz AQYHXBHXNDKKFD-WOPDTQHZSA-N 1 0 242.338 2.157 20 30 BEEDRO C=C(C)CCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC001346453410 980843346 /nfs/dbraw/zinc/84/33/46/980843346.db2.gz JHJOZTBILNXHEO-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1cc[nH]c1C(C)C ZINC001132696496 1168565968 /nfs/dbraw/zinc/56/59/68/1168565968.db2.gz BZQFTTVNLHICFQ-UHFFFAOYSA-N 1 0 249.358 2.034 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]CC=C(C)C ZINC001133381151 1168571099 /nfs/dbraw/zinc/57/10/99/1168571099.db2.gz XLRKMFDNLWVNIY-AWEZNQCLSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001134476633 1168591550 /nfs/dbraw/zinc/59/15/50/1168591550.db2.gz VOAGGBQQDHADHB-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135357492 1168602348 /nfs/dbraw/zinc/60/23/48/1168602348.db2.gz DGXWVFLUFYIHTI-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)CCC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC001347116589 980979320 /nfs/dbraw/zinc/97/93/20/980979320.db2.gz LUNKMCBJQNTNBF-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCC1CCCCC1 ZINC001136201977 1168615555 /nfs/dbraw/zinc/61/55/55/1168615555.db2.gz CRHMGSLRWMZSIH-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2cncc(C#N)n2)cc1 ZINC001245907862 1168616066 /nfs/dbraw/zinc/61/60/66/1168616066.db2.gz DOSTWLXSGKPFCP-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)Cc1ccoc1 ZINC000823905522 1168630800 /nfs/dbraw/zinc/63/08/00/1168630800.db2.gz ZGEZRTNEDQXQPQ-LLVKDONJSA-N 1 0 223.341 2.167 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCCC23CC3)c1 ZINC001144073801 1168645322 /nfs/dbraw/zinc/64/53/22/1168645322.db2.gz IGWSDIPMELERKZ-UHFFFAOYSA-N 1 0 213.284 2.082 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171184604 1168651285 /nfs/dbraw/zinc/65/12/85/1168651285.db2.gz NLEGVKVTJVUBKR-TUKIKUTGSA-N 1 0 244.338 2.256 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H](C)c1ccccc1 ZINC000716938306 981429461 /nfs/dbraw/zinc/42/94/61/981429461.db2.gz XLEPNKDIYOHCQI-UKRRQHHQSA-N 1 0 231.339 2.418 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC001173324668 1168685645 /nfs/dbraw/zinc/68/56/45/1168685645.db2.gz RYMPYTOBALCSAQ-XTWLIDDBSA-N 1 0 236.359 2.352 20 30 BEEDRO C[C@]1(C[NH2+]C2CCC(CC#N)CC2)CCOC1 ZINC001173334753 1168688138 /nfs/dbraw/zinc/68/81/38/1168688138.db2.gz WTRRVVBFOCHDFG-JXQTWKCFSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)CCN1C ZINC001173337304 1168686873 /nfs/dbraw/zinc/68/68/73/1168686873.db2.gz GCPJVPNHYSENIC-IYXRBSQSSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@@H](CO)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173334737 1168687468 /nfs/dbraw/zinc/68/74/68/1168687468.db2.gz WQHFSPIJNXYGMC-PNESKVBLSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]1C[N@H+](C2CCC(CC#N)CC2)C[C@H](C)N1C ZINC001173337830 1168689504 /nfs/dbraw/zinc/68/95/04/1168689504.db2.gz UDYZZDDYQHUBNN-DGKWVBSXSA-N 1 0 249.402 2.483 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C[C@H](C=C)CC)CC1 ZINC001349760401 981705606 /nfs/dbraw/zinc/70/56/06/981705606.db2.gz NQHOVOMPUUCJAV-CYBMUJFWSA-N 1 0 249.354 2.230 20 30 BEEDRO CC[N@H+](C)[C@@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001177051470 1168710513 /nfs/dbraw/zinc/71/05/13/1168710513.db2.gz YGCXPWLGESTZLU-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C(CC)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC001350101696 981871635 /nfs/dbraw/zinc/87/16/35/981871635.db2.gz XZESIJRQTGCTPM-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnn2CCC)CC1 ZINC001350626957 982033448 /nfs/dbraw/zinc/03/34/48/982033448.db2.gz RGNIBGAOFLRKRT-UHFFFAOYSA-N 1 0 231.343 2.138 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC1CCC(C#N)CC1 ZINC001351398512 982307045 /nfs/dbraw/zinc/30/70/45/982307045.db2.gz INARECMBULCPIP-GFJIZPEISA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C[C@@H](C)CC)CC1 ZINC001195620031 982329926 /nfs/dbraw/zinc/32/99/26/982329926.db2.gz IIHWUMXKWGXBMS-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CCCF ZINC001152352341 982591570 /nfs/dbraw/zinc/59/15/70/982591570.db2.gz DEEOWZJZICACIH-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1CCCC1 ZINC000852749181 1168863548 /nfs/dbraw/zinc/86/35/48/1168863548.db2.gz RNJBTUCJJZQMGM-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001252541965 1168876632 /nfs/dbraw/zinc/87/66/32/1168876632.db2.gz XQVVOCFBWLOICI-UONOGXRCSA-N 1 0 232.327 2.156 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)CCOCC ZINC001198414268 982703850 /nfs/dbraw/zinc/70/38/50/982703850.db2.gz KDEAIFWHWZSVBZ-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001252573298 1168888441 /nfs/dbraw/zinc/88/84/41/1168888441.db2.gz CXDSTPHGZHCVHR-FZMZJTMJSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1CCC(CC)CC1 ZINC001252572801 1168886863 /nfs/dbraw/zinc/88/68/63/1168886863.db2.gz UZCUCQFMTMIYPR-WXRRBKDZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001252622922 1168895970 /nfs/dbraw/zinc/89/59/70/1168895970.db2.gz AOBGOHZJGPMWJR-MROQNXINSA-N 1 0 209.333 2.092 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc[nH]1 ZINC001204008937 1168966063 /nfs/dbraw/zinc/96/60/63/1168966063.db2.gz MXIZUYYKYMCNLX-UOJUARBOSA-N 1 0 215.300 2.281 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(C)C)C[C@@H]1C ZINC001274587598 1169033374 /nfs/dbraw/zinc/03/33/74/1169033374.db2.gz CCJJZKLEUCVCQA-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C(CC)CC ZINC001275772836 1169055240 /nfs/dbraw/zinc/05/52/40/1169055240.db2.gz IQBGXVCYESJSAN-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC001355641497 983532204 /nfs/dbraw/zinc/53/22/04/983532204.db2.gz VKCONTLTILBYJW-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001356597515 983640070 /nfs/dbraw/zinc/64/00/70/983640070.db2.gz VZQPFDGVARYPBO-SNVBAGLBSA-N 1 0 236.290 2.318 20 30 BEEDRO C=CCC[C@H](C)[N@H+](CCCNC(C)=O)C1CC1 ZINC001490361580 983724896 /nfs/dbraw/zinc/72/48/96/983724896.db2.gz NGCIOOJMQUTLRV-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)CCC(=C)C)C1CC1 ZINC001490671004 983734200 /nfs/dbraw/zinc/73/42/00/983734200.db2.gz HFLRVNWMZYDZAN-CYBMUJFWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)C=C(C)C)C1CC1 ZINC001490631265 983735084 /nfs/dbraw/zinc/73/50/84/983735084.db2.gz FOIMOXLOBAUEAO-CYBMUJFWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C1(CC)CCCCC1 ZINC001252489302 983799742 /nfs/dbraw/zinc/79/97/42/983799742.db2.gz YPPIJFMKHVHAGP-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[NH2+]CCN1CCC(CCC)CC1 ZINC000053387498 1169135252 /nfs/dbraw/zinc/13/52/52/1169135252.db2.gz NJZDEGKYBVUYNV-UHFFFAOYSA-N 1 0 210.365 2.274 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(C)cc1 ZINC001252539279 983805824 /nfs/dbraw/zinc/80/58/24/983805824.db2.gz RUWXHIPRLIGZOR-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C[C@H](O)CCC=C ZINC001252587500 983838411 /nfs/dbraw/zinc/83/84/11/983838411.db2.gz SAOYIKFBYCJAHR-GFCCVEGCSA-N 1 0 209.333 2.095 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000877608406 983955982 /nfs/dbraw/zinc/95/59/82/983955982.db2.gz USHZYSCHHDICGA-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001253580158 1169207108 /nfs/dbraw/zinc/20/71/08/1169207108.db2.gz ADAAESYZCQDTJI-GFCCVEGCSA-N 1 0 225.719 2.319 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001254648927 1169237116 /nfs/dbraw/zinc/23/71/16/1169237116.db2.gz PDKLYSBIGOUVNM-COPLHBTASA-N 1 0 248.301 2.141 20 30 BEEDRO N#C[C@@H]1CC[C@H](N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001254648965 1169237451 /nfs/dbraw/zinc/23/74/51/1169237451.db2.gz PIEXYXQEHGSJQI-RISCZKNCSA-N 1 0 247.317 2.283 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172425990 974704824 /nfs/dbraw/zinc/70/48/24/974704824.db2.gz GDHYWNHYPHFSGE-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)CCOCC)C1 ZINC001172429569 974710925 /nfs/dbraw/zinc/71/09/25/974710925.db2.gz ARSLIQIFOIIASK-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO CC(C)COCC[C@@H](C)[N@H+](C)CCC#N ZINC001172470118 974767470 /nfs/dbraw/zinc/76/74/70/974767470.db2.gz WMNYCDMFARZJDB-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H](O)c1ccccc1 ZINC001172477379 974774698 /nfs/dbraw/zinc/77/46/98/974774698.db2.gz YSVMDYUINASOPP-OCCSQVGLSA-N 1 0 232.327 2.392 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@@H](C)CCCC#N ZINC001172478885 974776795 /nfs/dbraw/zinc/77/67/95/974776795.db2.gz FLHRTBMWHXHRKU-JTQLQIEISA-N 1 0 234.347 2.209 20 30 BEEDRO C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)C1CC1 ZINC001277099583 974790121 /nfs/dbraw/zinc/79/01/21/974790121.db2.gz KIUCBKACSHBHDX-SNVBAGLBSA-N 1 0 244.766 2.023 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCCC[C@H]3C2)C1 ZINC001117746034 1169303448 /nfs/dbraw/zinc/30/34/48/1169303448.db2.gz PDWNQAKNQYVGCJ-RFGFWPKPSA-N 1 0 234.343 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001117746035 1169303493 /nfs/dbraw/zinc/30/34/93/1169303493.db2.gz PDWNQAKNQYVGCJ-YIYPIFLZSA-N 1 0 234.343 2.180 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(Cl)nc(OC)n1C ZINC001117747296 1169306153 /nfs/dbraw/zinc/30/61/53/1169306153.db2.gz FMJGHVSFEDEFBP-UHFFFAOYSA-N 1 0 243.738 2.138 20 30 BEEDRO CC(C)COCC[C@H](C)[NH2+]CCCS ZINC001172459521 974824636 /nfs/dbraw/zinc/82/46/36/974824636.db2.gz ARMCQBOXGMRWFZ-NSHDSACASA-N 1 0 219.394 2.347 20 30 BEEDRO CC(C)COCC[C@@H](C)[NH2+]CCCC#N ZINC001172464787 974828668 /nfs/dbraw/zinc/82/86/68/974828668.db2.gz OQBUIMZZTZPOPI-GFCCVEGCSA-N 1 0 212.337 2.331 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)C1CCC1)CC1CC1 ZINC001327521116 972613888 /nfs/dbraw/zinc/61/38/88/972613888.db2.gz XKCITFSTNLOJCQ-AWEZNQCLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCOc1ccc(C[N@H+]2CC[C@@H]2C)cc1 ZINC001138556281 1169360261 /nfs/dbraw/zinc/36/02/61/1169360261.db2.gz NHURPRSIXSGYDE-LBPRGKRZSA-N 1 0 215.296 2.293 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1 ZINC001202902127 1169363382 /nfs/dbraw/zinc/36/33/82/1169363382.db2.gz JSMXWNACFGCCCY-YNEHKIRRSA-N 1 0 234.343 2.370 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)nc2)C2(CC2)C1 ZINC001140546348 1169372456 /nfs/dbraw/zinc/37/24/56/1169372456.db2.gz FRILTLJQENKUKW-LLVKDONJSA-N 1 0 227.311 2.328 20 30 BEEDRO Cc1c[nH]c(C[NH+]2CCC(C#N)CC2)c1C ZINC001140856837 1169377492 /nfs/dbraw/zinc/37/74/92/1169377492.db2.gz OGJPGBUBZJZBAO-UHFFFAOYSA-N 1 0 217.316 2.367 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC ZINC001328987221 973417192 /nfs/dbraw/zinc/41/71/92/973417192.db2.gz HSHOQQCCEVFQKS-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H](C[NH2+]CC(=C)C)C1 ZINC001276947741 973455219 /nfs/dbraw/zinc/45/52/19/973455219.db2.gz RYPKKLIGOPZDSE-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CCCCNc1cc(O[C@@H]2CCOC2)cc[nH+]1 ZINC001162446976 1169452031 /nfs/dbraw/zinc/45/20/31/1169452031.db2.gz XAWVDWNWSWOISY-CYBMUJFWSA-N 1 0 246.310 2.075 20 30 BEEDRO [NH3+]Cc1ccnc(NCC#Cc2ccccc2)c1 ZINC001170423879 970777473 /nfs/dbraw/zinc/77/74/73/970777473.db2.gz JRPAQHRYKHOUQL-UHFFFAOYSA-N 1 0 237.306 2.004 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000402287996 970780967 /nfs/dbraw/zinc/78/09/67/970780967.db2.gz XTNLEUBKRAIKAV-TYNCELHUSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cccc(CC#N)n1 ZINC001256387655 970800137 /nfs/dbraw/zinc/80/01/37/970800137.db2.gz BTHBGFZAARDNTG-GFCCVEGCSA-N 1 0 246.358 2.290 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)Cc1ccccn1 ZINC001256396493 970803949 /nfs/dbraw/zinc/80/39/49/970803949.db2.gz GNXQZYVLKWFIFV-LLVKDONJSA-N 1 0 202.301 2.014 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+](C)C[C@H](C)N)C[C@H](C1)C2 ZINC001246980622 973729325 /nfs/dbraw/zinc/72/93/25/973729325.db2.gz JYDMORGWTZSGAS-ICIURTGMSA-N 1 0 222.376 2.400 20 30 BEEDRO N#CCOc1ccc(-c2cc(C[NH3+])ccn2)cc1 ZINC001243587822 970822400 /nfs/dbraw/zinc/82/24/00/970822400.db2.gz DRSPZILYSNEZDX-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH+]1CCC(S)CC1 ZINC001256422799 970831436 /nfs/dbraw/zinc/83/14/36/970831436.db2.gz WOXHJBMWNQSLNQ-LLVKDONJSA-N 1 0 236.384 2.407 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)Cc2ccccn2)CC1 ZINC001256426989 970832573 /nfs/dbraw/zinc/83/25/73/970832573.db2.gz SYGFUZJWJURLGB-ZDUSSCGKSA-N 1 0 228.339 2.358 20 30 BEEDRO C#CC1([NH2+]C2CCC(OCC)CC2)CC1 ZINC001256432908 970837912 /nfs/dbraw/zinc/83/79/12/970837912.db2.gz WYYJANMXOUSTHI-UHFFFAOYSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H](C)CC(C)C ZINC001256543664 970860331 /nfs/dbraw/zinc/86/03/31/970860331.db2.gz SSRXIBAULCHJQY-ZDUSSCGKSA-N 1 0 211.349 2.250 20 30 BEEDRO C[C@H](C#N)N(C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576665 970868848 /nfs/dbraw/zinc/86/88/48/970868848.db2.gz PLADQQWXOKXWQC-LLVKDONJSA-N 1 0 223.364 2.093 20 30 BEEDRO CC(C)C[C@H](C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615877 970881056 /nfs/dbraw/zinc/88/10/56/970881056.db2.gz BCVQVJILXBUJIB-CPIKKWJDSA-N 1 0 235.375 2.139 20 30 BEEDRO C[C@@]1(C#N)CCN(Cc2ccc3c(c2)OCO3)C1 ZINC001204056488 1169471740 /nfs/dbraw/zinc/47/17/40/1169471740.db2.gz QDGQGEHJGPOSGF-AWEZNQCLSA-N 1 0 244.294 2.151 20 30 BEEDRO CC(C)[C@@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614854 970879059 /nfs/dbraw/zinc/87/90/59/970879059.db2.gz MAISORLVSUEDRB-WTUNAVPPSA-N 1 0 235.375 2.139 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)C1CCC1 ZINC001130145348 970931390 /nfs/dbraw/zinc/93/13/90/970931390.db2.gz MQZCGKIGXHVZGD-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1cc(NCC(C)(C)C[NH+](C)C)ncc1C#N ZINC001157941756 970956886 /nfs/dbraw/zinc/95/68/86/970956886.db2.gz CEQLVYJAEMTDEE-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CC[N@@H+]1CC[C@H](OCc2ccc(C#N)cc2)C1 ZINC001205598069 1169486241 /nfs/dbraw/zinc/48/62/41/1169486241.db2.gz MJEOGVSBQAEHJA-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C=C[C@H](CCC)OCCC[N+](C)(C)C ZINC001224624573 973807087 /nfs/dbraw/zinc/80/70/87/973807087.db2.gz XOTAOTQFMTWGDN-GFCCVEGCSA-N 1 0 200.346 2.454 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001207536910 1169492893 /nfs/dbraw/zinc/49/28/93/1169492893.db2.gz YXTNFUIINJQORE-LSDHHAIUSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256788061 970987309 /nfs/dbraw/zinc/98/73/09/970987309.db2.gz YWAVXMYCSNGWOX-ZIAGYGMSSA-N 1 0 215.296 2.130 20 30 BEEDRO C#C[C@@H](C)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904727 971023084 /nfs/dbraw/zinc/02/30/84/971023084.db2.gz MJNVCGMEWQMISJ-CHWSQXEVSA-N 1 0 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C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)C[C@@H]1F ZINC001256964714 971036451 /nfs/dbraw/zinc/03/64/51/971036451.db2.gz BHTVXHCNMRTKTR-YYJSSNLHSA-N 1 0 210.296 2.359 20 30 BEEDRO N#CC1CCC([NH+]2CCSCC2)CC1 ZINC001256963969 971037897 /nfs/dbraw/zinc/03/78/97/971037897.db2.gz OXOMIAVSPVOMTQ-UHFFFAOYSA-N 1 0 210.346 2.118 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CCC[C@H]1O ZINC001256964895 971036765 /nfs/dbraw/zinc/03/67/65/971036765.db2.gz GIJBKOJGVRLPBQ-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CC[N@@H+](C2CCC(C#N)CC2)CC[C@@H]1O ZINC001256965204 971038851 /nfs/dbraw/zinc/03/88/51/971038851.db2.gz NBIFTICKNDBNCY-ABXWRUBCSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccno1 ZINC001256964167 971039361 /nfs/dbraw/zinc/03/93/61/971039361.db2.gz WMKPJGXJFLLUAI-KPPDAEKUSA-N 1 0 219.288 2.408 20 30 BEEDRO N#CC1CCC(N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC001256968843 971045069 /nfs/dbraw/zinc/04/50/69/971045069.db2.gz PFECXRNDQWODPJ-YMAMQOFZSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@@H]1C[N@H+](C2CCC(C#N)CC2)C[C@H](C)N1C ZINC001256969510 971046079 /nfs/dbraw/zinc/04/60/79/971046079.db2.gz KMXSYXRYAGQIJC-VTXSZYRJSA-N 1 0 235.375 2.093 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@@H](CCO)C2)CC1 ZINC001256969323 971047115 /nfs/dbraw/zinc/04/71/15/971047115.db2.gz DXGIUULWGRNVOP-MOKVOYLWSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)[C@H]1C[N@@H+](C2CCC(C#N)CC2)CCO1 ZINC001256973757 971048303 /nfs/dbraw/zinc/04/83/03/971048303.db2.gz XJUJVBVSMFXHSY-JXQTWKCFSA-N 1 0 236.359 2.426 20 30 BEEDRO CN1CCC[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971651 971051135 /nfs/dbraw/zinc/05/11/35/971051135.db2.gz KZYPBOYSTUOYBV-JYVUQVBGSA-N 1 0 247.386 2.095 20 30 BEEDRO CNc1cc(Nc2cc(C#N)ccc2O)cc[nH+]1 ZINC001216335314 971048505 /nfs/dbraw/zinc/04/85/05/971048505.db2.gz PAIZYDQOBCBCKR-UHFFFAOYSA-N 1 0 240.266 2.444 20 30 BEEDRO CC(C)N1CC[N@@H+](C2CCC(C#N)CC2)C[C@@H]1C ZINC001256971740 971049171 /nfs/dbraw/zinc/04/91/71/971049171.db2.gz ZPNCCJQFGQTMFF-NFOMZHRRSA-N 1 0 249.402 2.483 20 30 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BEEDRO C[C@H]1CC([NH2+]CC(C)(C)S)C[C@H](C)O1 ZINC001257081471 971091416 /nfs/dbraw/zinc/09/14/16/971091416.db2.gz PKNKFOWCJJMASD-IUCAKERBSA-N 1 0 217.378 2.240 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000403997599 971097221 /nfs/dbraw/zinc/09/72/21/971097221.db2.gz GRYIXUCMFBRSGH-UHFFFAOYSA-N 1 0 204.248 2.339 20 30 BEEDRO C[C@H]1CC([NH+]2CCC(S)CC2)C[C@H](C)O1 ZINC001257098888 971105456 /nfs/dbraw/zinc/10/54/56/971105456.db2.gz JBQJDPMSVNJKBN-UWVGGRQHSA-N 1 0 229.389 2.337 20 30 BEEDRO COc1cccc(Nc2c(C)[nH+]cn2C)c1C#N ZINC001210122101 1169517601 /nfs/dbraw/zinc/51/76/01/1169517601.db2.gz LUIRTAQYLMWKRK-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO CC(C)CON=C1CCC[N@@H+]2CCSC[C@H]12 ZINC001329730803 973898376 /nfs/dbraw/zinc/89/83/76/973898376.db2.gz IFSMHCIWLVOMLD-GFCCVEGCSA-N 1 0 242.388 2.226 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405104787 971195438 /nfs/dbraw/zinc/19/54/38/971195438.db2.gz GHJXVNHQHIRSLU-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC[C@@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001257307788 971196263 /nfs/dbraw/zinc/19/62/63/971196263.db2.gz UVVOOFKSIZIEOI-SNVBAGLBSA-N 1 0 215.300 2.452 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C=C(C)C)CC[C@@H]1C ZINC001131772178 971271091 /nfs/dbraw/zinc/27/10/91/971271091.db2.gz NAAAEDSRJHEUPY-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000405579383 971278787 /nfs/dbraw/zinc/27/87/87/971278787.db2.gz ISQNEEXYVBWLNS-BFVZDQMLSA-N 1 0 248.301 2.210 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000405610250 971281174 /nfs/dbraw/zinc/28/11/74/971281174.db2.gz PLDDRAIFGFVVPX-ISTVAULSSA-N 1 0 248.301 2.210 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCC(=O)OCCCC ZINC001257384246 971297406 /nfs/dbraw/zinc/29/74/06/971297406.db2.gz WUQHEQZBEVTPLV-NSHDSACASA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC)C1 ZINC001132257213 971328812 /nfs/dbraw/zinc/32/88/12/971328812.db2.gz UFPJLTHRDGXTFP-STQMWFEESA-N 1 0 238.375 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20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1CCC1(C)C ZINC001132638545 971390598 /nfs/dbraw/zinc/39/05/98/971390598.db2.gz DUCOYUZVZPPIGJ-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCCC1CC1 ZINC001132620188 971392890 /nfs/dbraw/zinc/39/28/90/971392890.db2.gz INTUHVAUZPMABO-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CC1CCC1 ZINC001132660841 971395968 /nfs/dbraw/zinc/39/59/68/971395968.db2.gz VAQACEPQXPVLRT-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C/C=C\Cl ZINC001132663344 971399505 /nfs/dbraw/zinc/39/95/05/971399505.db2.gz VBQZYLQGCDLVCB-WYGGZMRJSA-N 1 0 244.766 2.047 20 30 BEEDRO CCCC[C@H](CC)CO[C@H]1C[NH2+]C[C@@H]1C#N ZINC001217831190 971422592 /nfs/dbraw/zinc/42/25/92/971422592.db2.gz JSTPMUKJGHZTPG-AVGNSLFASA-N 1 0 224.348 2.331 20 30 BEEDRO CCCC[C@H](CC)CO[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001217831373 971423121 /nfs/dbraw/zinc/42/31/21/971423121.db2.gz JSTPMUKJGHZTPG-RWMBFGLXSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1cc(NC(C)(C)CC[NH+](C)C)ncc1C#N ZINC001158757768 971431719 /nfs/dbraw/zinc/43/17/19/971431719.db2.gz PEWUWZIFVOGQGF-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(CCC)CCC ZINC001133023452 971437308 /nfs/dbraw/zinc/43/73/08/971437308.db2.gz NDLRPXTXHDTXCE-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001133075669 971448276 /nfs/dbraw/zinc/44/82/76/971448276.db2.gz AZIPAHWOCPCPFE-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CCCCC ZINC001133145300 971461516 /nfs/dbraw/zinc/46/15/16/971461516.db2.gz UMEJPMUCLHSWEE-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(C)(C)CCC ZINC001133176055 971465086 /nfs/dbraw/zinc/46/50/86/971465086.db2.gz HQYZMQROPOJIPB-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)CC ZINC001133167302 971467335 /nfs/dbraw/zinc/46/73/35/971467335.db2.gz DZRXUFQZIIHFBZ-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO CC#CC[C@@H](CC)OC[C@@H]1CCC[NH2+]C1 ZINC001217891738 971490133 /nfs/dbraw/zinc/49/01/33/971490133.db2.gz AWSUHZYCGUNBLK-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OC[C@H]1CCC[NH2+]C1 ZINC001217897446 971499849 /nfs/dbraw/zinc/49/98/49/971499849.db2.gz XQIPTTOJQZIWQJ-OLZOCXBDSA-N 1 0 239.435 2.272 20 30 BEEDRO C=CC[NH+](CC=C)C1CCC(C(=O)OC)CC1 ZINC001257866619 971508375 /nfs/dbraw/zinc/50/83/75/971508375.db2.gz PAVJFZWCSTWPGK-UHFFFAOYSA-N 1 0 237.343 2.392 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CCC(C(=O)OC)CC2)C1 ZINC001257866034 971508563 /nfs/dbraw/zinc/50/85/63/971508563.db2.gz IECXOSSIBCDMKS-IYXRBSQSSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]CC3COC3)C[C@H](C1)C2 ZINC001257886677 971520497 /nfs/dbraw/zinc/52/04/97/971520497.db2.gz BBLVYFINRYJTKV-ONXXMXGDSA-N 1 0 221.344 2.357 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(OC(C)=O)C3)C[C@H](C1)C2 ZINC001257893794 971527681 /nfs/dbraw/zinc/52/76/81/971527681.db2.gz ZYDIHHLSNXGCRO-PBWFPOADSA-N 1 0 249.354 2.369 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001133438402 971528714 /nfs/dbraw/zinc/52/87/14/971528714.db2.gz OOWIFPYZXNLZOK-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H](CC(C)(C)S)OC[C@@H]1CCC[NH2+]C1 ZINC001217929800 971537126 /nfs/dbraw/zinc/53/71/26/971537126.db2.gz XZSDFYDZIXWQEY-WDEREUQCSA-N 1 0 231.405 2.490 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C1(CCC)CC1 ZINC001133462946 971539646 /nfs/dbraw/zinc/53/96/46/971539646.db2.gz FLAZBGPOGGMQJC-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](CO)C3)C[C@H](C1)C2 ZINC001257893277 971525977 /nfs/dbraw/zinc/52/59/77/971525977.db2.gz PNXQSTBHLVMJDO-RDGKXADDSA-N 1 0 235.371 2.436 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(F)F ZINC001133451352 971542700 /nfs/dbraw/zinc/54/27/00/971542700.db2.gz DMYLLRCSOGACOJ-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO SCC[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257943901 971546313 /nfs/dbraw/zinc/54/63/13/971546313.db2.gz FBNAFRYRBCOLLE-JTQLQIEISA-N 1 0 243.759 2.163 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001133490317 971549480 /nfs/dbraw/zinc/54/94/80/971549480.db2.gz DYPKWQYXYKDPOF-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CC1 ZINC001133482891 971550670 /nfs/dbraw/zinc/55/06/70/971550670.db2.gz QJGVTGNESMTMMS-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1CC1 ZINC001133482892 971551346 /nfs/dbraw/zinc/55/13/46/971551346.db2.gz QJGVTGNESMTMMS-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)c1ccccc1 ZINC001133525674 971555408 /nfs/dbraw/zinc/55/54/08/971555408.db2.gz ORNCZJSDQURHMS-CHWSQXEVSA-N 1 0 246.354 2.359 20 30 BEEDRO Cc1cc(O[C@@H]2C[NH2+]CCC[C@H]2F)ccc1C#N ZINC001217979885 971557975 /nfs/dbraw/zinc/55/79/75/971557975.db2.gz IODDSSIEGQSPJS-ZIAGYGMSSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(C#N)ccc1O[C@H]1CCCC[NH2+]C1 ZINC001217975289 971557984 /nfs/dbraw/zinc/55/79/84/971557984.db2.gz SDSVLFFJCZPCLP-ZDUSSCGKSA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CCCC[C@H]2C#N)CC1 ZINC001258017252 971558581 /nfs/dbraw/zinc/55/85/81/971558581.db2.gz XYEUUTYLWMRXAL-HNNXBMFYSA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1ccc(C#N)c(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217980451 971558707 /nfs/dbraw/zinc/55/87/07/971558707.db2.gz YSVDROIEOPOSAO-GXTWGEPZSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(C#N)ccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217979465 971558959 /nfs/dbraw/zinc/55/89/59/971558959.db2.gz HKOQSJXNPVOVLQ-OCCSQVGLSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@@H](C)[N@H+](C)C[C@H](O)CO ZINC001258045190 971560445 /nfs/dbraw/zinc/56/04/45/971560445.db2.gz YHFZFMLPRSWTFN-OLZOCXBDSA-N 1 0 231.380 2.020 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C1(CCO)COC1 ZINC001258039537 971563052 /nfs/dbraw/zinc/56/30/52/971563052.db2.gz SGYRJYWGQNUBRU-CYBMUJFWSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCC[C@@H](C)N[C@@]([NH3+])(CC)CO ZINC001258040432 971563117 /nfs/dbraw/zinc/56/31/17/971563117.db2.gz CGJQETKDIMHHNT-OLZOCXBDSA-N 1 0 230.396 2.382 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C1(C(C)C)CC1 ZINC001133564262 971566326 /nfs/dbraw/zinc/56/63/26/971566326.db2.gz LZPZUQRAALBOPA-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[NH2+]CCC(C)C)C1 ZINC001133565646 971566684 /nfs/dbraw/zinc/56/66/84/971566684.db2.gz FVIXTWKFOAMFEA-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CNC(=O)O1 ZINC001258043942 971567005 /nfs/dbraw/zinc/56/70/05/971567005.db2.gz VLSQFRHOORTTTJ-VXGBXAGGSA-N 1 0 242.363 2.433 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC001258044493 971568588 /nfs/dbraw/zinc/56/85/88/971568588.db2.gz OZPRQZWKUWSKEE-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@H](CO)C1 ZINC001258044492 971571613 /nfs/dbraw/zinc/57/16/13/971571613.db2.gz OZPRQZWKUWSKEE-KGLIPLIRSA-N 1 0 243.391 2.429 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](Oc2cncc(C#N)c2)C1 ZINC001226686810 1169608535 /nfs/dbraw/zinc/60/85/35/1169608535.db2.gz SSNLITAXFSRIBB-ZDUSSCGKSA-N 1 0 245.326 2.205 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+][C@H](C)C2)c(C)cc1C#N ZINC001218036598 971580147 /nfs/dbraw/zinc/58/01/47/971580147.db2.gz DUYDBHTUBHIMCD-DGCLKSJQSA-N 1 0 230.311 2.304 20 30 BEEDRO Cc1c(C#N)cccc1O[C@@H]1C[NH2+]CC[C@H]1C ZINC001218043928 971585983 /nfs/dbraw/zinc/58/59/83/971585983.db2.gz PAATWJVCFIDOCW-QMTHXVAHSA-N 1 0 230.311 2.244 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133758342 971596038 /nfs/dbraw/zinc/59/60/38/971596038.db2.gz IZIXDQGPEGHIGF-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC=C ZINC001133887868 971615656 /nfs/dbraw/zinc/61/56/56/971615656.db2.gz CDKHBIWJEGTRJF-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC=C ZINC001133887865 971615739 /nfs/dbraw/zinc/61/57/39/971615739.db2.gz CDKHBIWJEGTRJF-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccncc1 ZINC000747871544 971615831 /nfs/dbraw/zinc/61/58/31/971615831.db2.gz JRYXDTWHHYTZRK-BNOWGMLFSA-N 1 0 232.327 2.466 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)cc(OC)c1 ZINC001218204293 971626172 /nfs/dbraw/zinc/62/61/72/971626172.db2.gz PFHGAYVDEJOAMB-CQSZACIVSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)c(Cl)cn1 ZINC001218207348 971626482 /nfs/dbraw/zinc/62/64/82/971626482.db2.gz PQCRTBGWIOPEQS-NSHDSACASA-N 1 0 238.718 2.340 20 30 BEEDRO CCc1cccc(CC)c1O[C@H]1C[NH2+]C[C@@H]1C#N ZINC001218201476 971627011 /nfs/dbraw/zinc/62/70/11/971627011.db2.gz RQEWDBSGHMDNFP-KBPBESRZSA-N 1 0 244.338 2.302 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc2c1CCC2 ZINC001218203783 971627889 /nfs/dbraw/zinc/62/78/89/971627889.db2.gz IKFJIPIUHAVPAV-HNNXBMFYSA-N 1 0 229.323 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc(F)c1C ZINC001218206157 971627965 /nfs/dbraw/zinc/62/79/65/971627965.db2.gz ZTUNYESIUNQNQM-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C)cc1F ZINC001218205635 971628008 /nfs/dbraw/zinc/62/80/08/971628008.db2.gz GISWORHRWPQFKZ-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(NC)cc1 ZINC001218211310 971629558 /nfs/dbraw/zinc/62/95/58/971629558.db2.gz WAZWKQPZOICZAT-CYBMUJFWSA-N 1 0 218.300 2.025 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C/C ZINC001134051422 971655900 /nfs/dbraw/zinc/65/59/00/971655900.db2.gz JLRZRJRRPNRPFH-PGJRDNSLSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC ZINC001134069849 971660719 /nfs/dbraw/zinc/66/07/19/971660719.db2.gz IPUKRUICSWWXAQ-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(F)=C(C)C ZINC001134077734 971662454 /nfs/dbraw/zinc/66/24/54/971662454.db2.gz UPDOHGGQJDRUGW-WDEREUQCSA-N 1 0 242.338 2.309 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([NH2+]CC3(C#N)CC3)C[C@@H]21 ZINC001170727723 971664798 /nfs/dbraw/zinc/66/47/98/971664798.db2.gz PIJIWHBIKJYIID-JGPRNRPPSA-N 1 0 204.317 2.314 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(F)=C(C)C ZINC001134077731 971665069 /nfs/dbraw/zinc/66/50/69/971665069.db2.gz UPDOHGGQJDRUGW-GHMZBOCLSA-N 1 0 242.338 2.309 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C=C1CCC1 ZINC001134108358 971666892 /nfs/dbraw/zinc/66/68/92/971666892.db2.gz ASBWUJCJPPARIV-VXGBXAGGSA-N 1 0 236.359 2.156 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC ZINC001134250923 971687006 /nfs/dbraw/zinc/68/70/06/971687006.db2.gz CFISLGZOQHYWPL-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1=CC(=O)CCC1)C2 ZINC001172103632 974363478 /nfs/dbraw/zinc/36/34/78/974363478.db2.gz WITLXBHFKREQAO-ZSOGYDGISA-N 1 0 248.370 2.228 20 30 BEEDRO C#C[C@H](CCC)Oc1cccc(C[NH3+])c1 ZINC001218318605 971705277 /nfs/dbraw/zinc/70/52/77/971705277.db2.gz AYUQSEZEWZNLCT-GFCCVEGCSA-N 1 0 203.285 2.326 20 30 BEEDRO C#C[C@H](CCCC)Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218353534 971723400 /nfs/dbraw/zinc/72/34/00/971723400.db2.gz IRTQROKRHPKFJQ-CYBMUJFWSA-N 1 0 244.338 2.298 20 30 BEEDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc2cc(C#N)ccc2c1 ZINC001218382250 971760634 /nfs/dbraw/zinc/76/06/34/971760634.db2.gz IVLXQMXKIJIYPI-MEBBXXQBSA-N 1 0 238.290 2.451 20 30 BEEDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc2cccc(C#N)c2c1 ZINC001218384413 971765506 /nfs/dbraw/zinc/76/55/06/971765506.db2.gz CZNJKPMLFBNKHN-BMIGLBTASA-N 1 0 238.290 2.451 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001134746608 971777123 /nfs/dbraw/zinc/77/71/23/971777123.db2.gz SSLSQJAGDOUBEY-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@H](Oc1cccc(C[NH3+])c1)c1ccncc1 ZINC001218416284 971789369 /nfs/dbraw/zinc/78/93/69/971789369.db2.gz HCUKMAOCLUVFDQ-HNNXBMFYSA-N 1 0 238.290 2.294 20 30 BEEDRO C=CC[NH+](CC=C)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172242120 974507765 /nfs/dbraw/zinc/50/77/65/974507765.db2.gz NZWRKYLVZCOSDA-YHWZYXNKSA-N 1 0 205.301 2.146 20 30 BEEDRO CC#C[C@@H](CC)Oc1cccc(C[NH3+])c1 ZINC001218438856 971817900 /nfs/dbraw/zinc/81/79/00/971817900.db2.gz MULMVMLOLLMZGE-GFCCVEGCSA-N 1 0 203.285 2.326 20 30 BEEDRO C#C[C@@H](Oc1ccc2c(c1)CC[NH2+]C2)C(C)C ZINC001218440306 971818997 /nfs/dbraw/zinc/81/89/97/971818997.db2.gz IJLYWCYGSLJKDJ-OAHLLOKOSA-N 1 0 229.323 2.369 20 30 BEEDRO C#C[C@H](Oc1ccc2c(c1)CC[NH2+]C2)C(C)C ZINC001218440305 971819493 /nfs/dbraw/zinc/81/94/93/971819493.db2.gz IJLYWCYGSLJKDJ-HNNXBMFYSA-N 1 0 229.323 2.369 20 30 BEEDRO Cc1c(C#N)ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1C ZINC001218441672 971819622 /nfs/dbraw/zinc/81/96/22/971819622.db2.gz HHVNGXXMHGTNBS-NFAWXSAZSA-N 1 0 242.322 2.304 20 30 BEEDRO Cc1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc(C)c1C#N ZINC001218442727 971820216 /nfs/dbraw/zinc/82/02/16/971820216.db2.gz SDDNKEVFEJYEIJ-KCPJHIHWSA-N 1 0 242.322 2.304 20 30 BEEDRO Cc1cc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(C)cc1C#N ZINC001218445434 971820989 /nfs/dbraw/zinc/82/09/89/971820989.db2.gz XNKJWKLDJZSXLQ-KYOSRNDESA-N 1 0 242.322 2.304 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(N)cc1 ZINC001218452156 971821764 /nfs/dbraw/zinc/82/17/64/971821764.db2.gz QMSVDXXANHOWMU-ZIAGYGMSSA-N 1 0 232.327 2.344 20 30 BEEDRO C=CCc1ccc(O)c(O[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218482720 971829795 /nfs/dbraw/zinc/82/97/95/971829795.db2.gz MKGFXWWIENWXBD-ABAIWWIYSA-N 1 0 247.338 2.498 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)C(C)(C)C ZINC001135178461 971842985 /nfs/dbraw/zinc/84/29/85/971842985.db2.gz VVOCPLCNALYRMR-NWDGAFQWSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](C)[C@H](C)C(C)(C)C ZINC001135178462 971843713 /nfs/dbraw/zinc/84/37/13/971843713.db2.gz VVOCPLCNALYRMR-RYUDHWBXSA-N 1 0 240.391 2.197 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135181812 971843814 /nfs/dbraw/zinc/84/38/14/971843814.db2.gz VKKSASNPAHAKMQ-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCCOCC2)CCCCC1 ZINC001170800803 971843846 /nfs/dbraw/zinc/84/38/46/971843846.db2.gz JMERWQWYNXVNIO-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]C(C)C ZINC001135188438 971844392 /nfs/dbraw/zinc/84/43/92/971844392.db2.gz LBTYATAITKEVSU-RYUDHWBXSA-N 1 0 240.391 2.480 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135181814 971844748 /nfs/dbraw/zinc/84/47/48/971844748.db2.gz VKKSASNPAHAKMQ-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001135188436 971844886 /nfs/dbraw/zinc/84/48/86/971844886.db2.gz LBTYATAITKEVSU-NEPJUHHUSA-N 1 0 240.391 2.480 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCCF ZINC001135202142 971846142 /nfs/dbraw/zinc/84/61/42/971846142.db2.gz BJCSKXKREUMZIB-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c1 ZINC001231658255 1169676191 /nfs/dbraw/zinc/67/61/91/1169676191.db2.gz SRZLNORFOQGUKH-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@H](C(C)=O)C2)c1 ZINC001231660268 1169680119 /nfs/dbraw/zinc/68/01/19/1169680119.db2.gz BFRPQXHWNNOCDY-HNNXBMFYSA-N 1 0 227.307 2.079 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC001231661923 1169680310 /nfs/dbraw/zinc/68/03/10/1169680310.db2.gz ABQPSSJBRUJZCY-MRXNPFEDSA-N 1 0 241.334 2.423 20 30 BEEDRO C#Cc1cccc(C[NH+]2CC([C@@H](C)OC)C2)c1 ZINC001231661653 1169680346 /nfs/dbraw/zinc/68/03/46/1169680346.db2.gz XMRXGCMBDHDLOA-GFCCVEGCSA-N 1 0 229.323 2.135 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)C[C@H](C)[NH2+]CC)C1 ZINC001135427127 971890178 /nfs/dbraw/zinc/89/01/78/971890178.db2.gz MAJZYODDDOKBRX-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC(CC)CC ZINC001135847475 971977542 /nfs/dbraw/zinc/97/75/42/971977542.db2.gz SZLMRKHAQBIRFD-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@](C)(CC)CCC ZINC001135858975 971982647 /nfs/dbraw/zinc/98/26/47/971982647.db2.gz IBQMSWFTGHCKKV-AWEZNQCLSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)CC(C)C ZINC001135872673 971986787 /nfs/dbraw/zinc/98/67/87/971986787.db2.gz OUSUBURVXPMVJC-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+][C@@H](C)CC#N ZINC001172340455 974609363 /nfs/dbraw/zinc/60/93/63/974609363.db2.gz WSWVMGMZXXWGNM-QJPTWQEYSA-N 1 0 212.337 2.472 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCCC[C@H]1CC ZINC001136080189 972029372 /nfs/dbraw/zinc/02/93/72/972029372.db2.gz DMBXVWHUMJRICK-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1C[C@]1(C)CC ZINC001136101116 972033361 /nfs/dbraw/zinc/03/33/61/972033361.db2.gz YBHYIRLXRSOEMP-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@]1(C)CC ZINC001136101115 972034201 /nfs/dbraw/zinc/03/42/01/972034201.db2.gz YBHYIRLXRSOEMP-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCc1c(Cl)ncnc1NCC[C@@H](C)[NH3+] ZINC001170887025 972036553 /nfs/dbraw/zinc/03/65/53/972036553.db2.gz OZKQIYLAJTXCHU-MRVPVSSYSA-N 1 0 240.738 2.008 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001329877726 972079259 /nfs/dbraw/zinc/07/92/59/972079259.db2.gz VWJHDVRNGMMNAB-HZSPNIEDSA-N 1 0 221.344 2.004 20 30 BEEDRO N#CCc1cccc(Nc2cc[nH+]c(N)c2)c1 ZINC000313433221 972086674 /nfs/dbraw/zinc/08/66/74/972086674.db2.gz FCMGIIIGMFSMGZ-UHFFFAOYSA-N 1 0 224.267 2.473 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[N@@H+]1CC[C@H](C#N)C1 ZINC001172353908 974624503 /nfs/dbraw/zinc/62/45/03/974624503.db2.gz PGXUSDGNDDDFHV-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001170934678 972108303 /nfs/dbraw/zinc/10/83/03/972108303.db2.gz ULEDGTKQKQWQSH-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc2ncccc12 ZINC000224873102 972213344 /nfs/dbraw/zinc/21/33/44/972213344.db2.gz BIVSRRFSIOAAFK-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO N#Cc1cc(F)cc(-c2cccc(C[NH3+])n2)c1 ZINC001241655841 1169736475 /nfs/dbraw/zinc/73/64/75/1169736475.db2.gz MMLHWDBAFUDXSL-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO SCCCNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001171000097 972224851 /nfs/dbraw/zinc/22/48/51/972224851.db2.gz WFXCXWFBXKGVDQ-NSHDSACASA-N 1 0 237.372 2.238 20 30 BEEDRO SCCCNc1cccn2c[nH+]cc12 ZINC001171003173 972228937 /nfs/dbraw/zinc/22/89/37/972228937.db2.gz MGTAAIISNBIBQV-UHFFFAOYSA-N 1 0 207.302 2.066 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)CC(C)(C)C=C ZINC001266278327 956985621 /nfs/dbraw/zinc/98/56/21/956985621.db2.gz AMDKOJKTBGDJKN-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO CS[C@@H](C)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC001208148385 957022824 /nfs/dbraw/zinc/02/28/24/957022824.db2.gz RUVNHXDBBHCJFE-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC000705284970 957073267 /nfs/dbraw/zinc/07/32/67/957073267.db2.gz KQAHSEUTMIAPNP-IINYFYTJSA-N 1 0 248.301 2.043 20 30 BEEDRO C[NH+](C)/C=C/c1ccncc1NCCCS ZINC001171013352 972242622 /nfs/dbraw/zinc/24/26/22/972242622.db2.gz XIJIOQRQBZUNOK-VMPITWQZSA-N 1 0 237.372 2.346 20 30 BEEDRO C[N@H+]1CC=C(Nc2cnc(C#N)c(Cl)c2)CC1 ZINC001208794331 957168052 /nfs/dbraw/zinc/16/80/52/957168052.db2.gz OSVWVSKWYKKAFC-UHFFFAOYSA-N 1 0 248.717 2.238 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](C)C[C@H](C)CC ZINC001480868683 957169418 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957338631 /nfs/dbraw/zinc/33/86/31/957338631.db2.gz WYCHERURGDOJDF-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC)C1 ZINC001209160325 957338846 /nfs/dbraw/zinc/33/88/46/957338846.db2.gz QLMKVZWEJDFWGO-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H](C)C(=O)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001220775347 972260691 /nfs/dbraw/zinc/26/06/91/972260691.db2.gz UIWWZXYLBOMRIG-YUTCNCBUSA-N 1 0 236.359 2.119 20 30 BEEDRO C#CCCC[N@@H+](CC)CC(=O)OC(C)(C)C ZINC001209265943 957371778 /nfs/dbraw/zinc/37/17/78/957371778.db2.gz CYDXYOIKNGTBNJ-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C=C(CC)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC001136823104 972267267 /nfs/dbraw/zinc/26/72/67/972267267.db2.gz WZQFWEJUEKFBDK-UHFFFAOYSA-N 1 0 242.282 2.172 20 30 BEEDRO C=CCCCCCC[N@@H+](CC)CCC(N)=O ZINC001209435283 957467247 /nfs/dbraw/zinc/46/72/47/957467247.db2.gz ABIZUJFJGANCRA-UHFFFAOYSA-N 1 0 226.364 2.320 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H](CC)CN)C[C@H](C1)C2 ZINC001246309723 972270459 /nfs/dbraw/zinc/27/04/59/972270459.db2.gz AAPCEWVUSTXTPM-RBKKPWLPSA-N 1 0 222.376 2.448 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](C)C1CC1 ZINC001125334270 957551438 /nfs/dbraw/zinc/55/14/38/957551438.db2.gz JZSJOOMGXWOJDC-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1nsc(Nc2c[nH+]c(N)cc2C)c1C#N ZINC001209960847 957584549 /nfs/dbraw/zinc/58/45/49/957584549.db2.gz AWQGWXNANDNKIW-UHFFFAOYSA-N 1 0 245.311 2.352 20 30 BEEDRO Cc1cnc(C#N)c(Nc2c[nH+]c(N)cc2C)c1 ZINC001209965049 957588716 /nfs/dbraw/zinc/58/87/16/957588716.db2.gz LCGXUTZJWBNISX-UHFFFAOYSA-N 1 0 239.282 2.291 20 30 BEEDRO CN(C)c1cc[nH+]cc1Nc1cccnc1C#N ZINC001210141795 957649886 /nfs/dbraw/zinc/64/98/86/957649886.db2.gz ZWPLWHKFLHUIPN-UHFFFAOYSA-N 1 0 239.282 2.158 20 30 BEEDRO C=C1CC[NH+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001167330118 957777333 /nfs/dbraw/zinc/77/73/33/957777333.db2.gz VEVDQOVFYCFMQZ-HNNXBMFYSA-N 1 0 242.322 2.244 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc2c1OCC2 ZINC000693173316 957789580 /nfs/dbraw/zinc/78/95/80/957789580.db2.gz IZHVPFWJAZWTFB-SNVBAGLBSA-N 1 0 203.285 2.286 20 30 BEEDRO Cc1[nH+]cc(Nc2ccc(F)cc2C#N)n1C ZINC001210551675 957793983 /nfs/dbraw/zinc/79/39/83/957793983.db2.gz SBFMWJNFIXHNBF-UHFFFAOYSA-N 1 0 230.246 2.483 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)[C@H](C)C1CC1 ZINC001266558277 957820669 /nfs/dbraw/zinc/82/06/69/957820669.db2.gz KINYOJLQNYYCRS-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C(C)(C)CC=C ZINC001167366138 957906324 /nfs/dbraw/zinc/90/63/24/957906324.db2.gz XKXZPZJBCZBMRF-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001266582957 957915726 /nfs/dbraw/zinc/91/57/26/957915726.db2.gz IIEXOZFIZKATBU-AVGNSLFASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)/C(C)=C/C ZINC001125443938 957963830 /nfs/dbraw/zinc/96/38/30/957963830.db2.gz QULYCIONZZLCTC-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO COc1ccc(Nc2c[nH+]cn2C)c(C#N)c1 ZINC001211249099 958114591 /nfs/dbraw/zinc/11/45/91/958114591.db2.gz JOEWDTRNNRBXKX-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)CC(C)C ZINC001493463947 958123597 /nfs/dbraw/zinc/12/35/97/958123597.db2.gz SESIPUXOIKNQQY-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000692293416 958124939 /nfs/dbraw/zinc/12/49/39/958124939.db2.gz IICVUKJKQVUSCE-LBPRGKRZSA-N 1 0 214.312 2.114 20 30 BEEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])C[C@H](C)CC)CC1 ZINC000706701519 958155586 /nfs/dbraw/zinc/15/55/86/958155586.db2.gz MXJVRLXQDLOAEJ-YPMHNXCESA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)/C(C)=C\C ZINC001266670970 958207146 /nfs/dbraw/zinc/20/71/46/958207146.db2.gz ALGIQEYOWSCODF-FFXRNRBCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[C@@H](NC(=O)[C@H]1CC[C@@H]1[NH3+])c1ccccc1 ZINC001221361517 972328143 /nfs/dbraw/zinc/32/81/43/972328143.db2.gz VPWHCVXZGNOBRH-MELADBBJSA-N 1 0 244.338 2.157 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001266703799 958283192 /nfs/dbraw/zinc/28/31/92/958283192.db2.gz QODAAIUEXABADV-TXEJJXNPSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C(C)(C)CC ZINC001266822028 958439042 /nfs/dbraw/zinc/43/90/42/958439042.db2.gz JDDBKVWPBULKNZ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001221582171 972349553 /nfs/dbraw/zinc/34/95/53/972349553.db2.gz ILLPINHBFJARIZ-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1CCC ZINC001266837507 958484071 /nfs/dbraw/zinc/48/40/71/958484071.db2.gz QPIWLTVWVBCKGR-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001266851586 958501521 /nfs/dbraw/zinc/50/15/21/958501521.db2.gz AAPSBAMUFOEKEP-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C1CCC(NC(=O)CC)CC1 ZINC001266906010 958570608 /nfs/dbraw/zinc/57/06/08/958570608.db2.gz SAAJNIUVMHZMOZ-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(F)ccc1OC ZINC000390593880 972361881 /nfs/dbraw/zinc/36/18/81/972361881.db2.gz TVEOEUOLTXFDMD-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000692345200 958616499 /nfs/dbraw/zinc/61/64/99/958616499.db2.gz UDTCMSCYYNPTKO-NSHDSACASA-N 1 0 232.302 2.253 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)CC(C)(C)CC ZINC001266944043 958634183 /nfs/dbraw/zinc/63/41/83/958634183.db2.gz VTYGBULCLUINQQ-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C1(C)CCCC1 ZINC001266959447 958664048 /nfs/dbraw/zinc/66/40/48/958664048.db2.gz SWDOCYQIQLKGNU-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO COc1cccc(C[N@@H+]2CCC[C@H](C#N)CC2)n1 ZINC001137533340 958668886 /nfs/dbraw/zinc/66/88/86/958668886.db2.gz PHXZTNGVBYDLIL-LBPRGKRZSA-N 1 0 245.326 2.216 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)C1(CC)CC1 ZINC001266971322 958684731 /nfs/dbraw/zinc/68/47/31/958684731.db2.gz UNWASVIGMVLMSM-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C1(C)CC(=C)C1 ZINC001266971604 958686320 /nfs/dbraw/zinc/68/63/20/958686320.db2.gz YASFUJQTVUTPJA-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C1(C)CC(=C)C1 ZINC001266971605 958688474 /nfs/dbraw/zinc/68/84/74/958688474.db2.gz YASFUJQTVUTPJA-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000724153747 958740205 /nfs/dbraw/zinc/74/02/05/958740205.db2.gz HBZSCCCNWRWSDU-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)n1 ZINC001349634156 958746487 /nfs/dbraw/zinc/74/64/87/958746487.db2.gz WKLSJRMLTJFZGC-ZSBIGDGJSA-N 1 0 249.264 2.087 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)[C@H]2CC=CCC2)C1 ZINC001090923346 972380349 /nfs/dbraw/zinc/38/03/49/972380349.db2.gz LTDHCSYCQQOSRI-MOKVOYLWSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC)C1 ZINC001267075810 958837237 /nfs/dbraw/zinc/83/72/37/958837237.db2.gz QUNFCZODQBXWEV-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC)C1 ZINC001267075807 958837856 /nfs/dbraw/zinc/83/78/56/958837856.db2.gz QUNFCZODQBXWEV-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)/C=C/C(C)(C)C ZINC001267123066 958915282 /nfs/dbraw/zinc/91/52/82/958915282.db2.gz OMXGTHWCTQPGAO-YPUOHESYSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)C1(C)CCC1 ZINC001267141134 958949978 /nfs/dbraw/zinc/94/99/78/958949978.db2.gz WKSXBAAFCNKQQG-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1C ZINC001267141118 958950401 /nfs/dbraw/zinc/95/04/01/958950401.db2.gz WDZAZCKNBMABGS-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCc1ccccc1F ZINC001350329713 959053815 /nfs/dbraw/zinc/05/38/15/959053815.db2.gz LITBQLOXNRQPMU-TZMCWYRMSA-N 1 0 249.329 2.121 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](NC(C)=O)CC1 ZINC001327093371 972402585 /nfs/dbraw/zinc/40/25/85/972402585.db2.gz BZEPMFHINQEIJU-JSGCOSHPSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)C(CC)(CC)CC ZINC001267224717 959229430 /nfs/dbraw/zinc/22/94/30/959229430.db2.gz JWWWTFIOATUXNA-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CC1(C)C[C@@H](C[N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC001207358144 959239465 /nfs/dbraw/zinc/23/94/65/959239465.db2.gz CFZDWBHUGFMPKS-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C(=O)NCCCNc1[nH+]c(C)ccc1C ZINC001167666262 959290208 /nfs/dbraw/zinc/29/02/08/959290208.db2.gz CRPAOVUAOCOEHP-UHFFFAOYSA-N 1 0 247.342 2.193 20 30 BEEDRO C=CCCC(=O)N(C)CC[NH2+]Cc1ccccc1 ZINC001267353712 959515514 /nfs/dbraw/zinc/51/55/14/959515514.db2.gz UFAHCFCYXBDPTR-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CC[NH2+]CC1CC1 ZINC001267434339 959653256 /nfs/dbraw/zinc/65/32/56/959653256.db2.gz KGNQPAZGPCQQKS-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCn1cc(-c2cccc(C[NH3+])c2)cn1 ZINC001222386634 972451369 /nfs/dbraw/zinc/45/13/69/972451369.db2.gz LRJZNGXGUXTFMV-UHFFFAOYSA-N 1 0 213.284 2.195 20 30 BEEDRO C=CCn1cc(-c2cccc3c[nH+]cn32)cn1 ZINC001222400294 972461755 /nfs/dbraw/zinc/46/17/55/972461755.db2.gz MITJLPYFEBVRKD-UHFFFAOYSA-N 1 0 224.267 2.384 20 30 BEEDRO C=CC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000309412791 959871267 /nfs/dbraw/zinc/87/12/67/959871267.db2.gz YEYLQDFDIYPCDU-UHFFFAOYSA-N 1 0 213.284 2.352 20 30 BEEDRO C=CCn1cc(-c2ccc(N)nc2C)cn1 ZINC001222405272 972463246 /nfs/dbraw/zinc/46/32/46/972463246.db2.gz CEHYCIJZKPCOQV-UHFFFAOYSA-N 1 0 214.272 2.022 20 30 BEEDRO Cc1cc(C#N)cc(Cl)c1O[C@H]1CC[NH2+]C1 ZINC001218176920 959883069 /nfs/dbraw/zinc/88/30/69/959883069.db2.gz KXBSBEDJGAYMSO-JTQLQIEISA-N 1 0 236.702 2.261 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000694572629 959923891 /nfs/dbraw/zinc/92/38/91/959923891.db2.gz WLRZHOIXYARPIC-SNVBAGLBSA-N 1 0 214.259 2.267 20 30 BEEDRO C=C(C)CC[N@@H+](C)CC1CCN(C(C)=O)CC1 ZINC001267595960 959975832 /nfs/dbraw/zinc/97/58/32/959975832.db2.gz JPMRWAXJVTUAQV-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@H](C)C(=O)Nc1c[nH+]ccc1N(C)C ZINC001144011537 972474372 /nfs/dbraw/zinc/47/43/72/972474372.db2.gz AFUXFAQNBWXVMK-JTQLQIEISA-N 1 0 233.315 2.298 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@H]1C[NH2+][C@@H]1C ZINC001218389777 960036371 /nfs/dbraw/zinc/03/63/71/960036371.db2.gz ZJYKTINPAIWUEA-MFKMUULPSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@H](Nc1c[nH+]cn1C)c1cccc(C#N)c1 ZINC001167710726 960042481 /nfs/dbraw/zinc/04/24/81/960042481.db2.gz VYQOLPKPVOVEJD-JTQLQIEISA-N 1 0 226.283 2.465 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001481105524 960066057 /nfs/dbraw/zinc/06/60/57/960066057.db2.gz KVMRMQGOVSVPJH-BLXFFLACSA-N 1 0 248.370 2.133 20 30 BEEDRO CCC(C)(C)[C@@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000695104694 960103742 /nfs/dbraw/zinc/10/37/42/960103742.db2.gz CDSBVAOLVVXUQU-WDEREUQCSA-N 1 0 212.337 2.329 20 30 BEEDRO C=CCCCCCCCN1CC[NH2+]CC1 ZINC001204630232 960115550 /nfs/dbraw/zinc/11/55/50/960115550.db2.gz OVQSQKGXZIRLCA-UHFFFAOYSA-N 1 0 210.365 2.418 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)C1(CC)CC1 ZINC001481145735 960130257 /nfs/dbraw/zinc/13/02/57/960130257.db2.gz NTGRYWIUNBEDPO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C1CCCCC1 ZINC001481203729 960187251 /nfs/dbraw/zinc/18/72/51/960187251.db2.gz SVCPDUZRFDGUNZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H](C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC001144020188 972487373 /nfs/dbraw/zinc/48/73/73/972487373.db2.gz BIZXUAOWGVTFBC-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H](C)C(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001144019232 972488849 /nfs/dbraw/zinc/48/88/49/972488849.db2.gz XCKRAUWNQACSQQ-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCCCN1CCOC2(C[NH2+]C2)C1 ZINC001222447383 972489027 /nfs/dbraw/zinc/48/90/27/972489027.db2.gz UQGZBMJVGYAVQR-UHFFFAOYSA-N 1 0 240.391 2.021 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)[C@H](C)C1CC1 ZINC001481218154 960245498 /nfs/dbraw/zinc/24/54/98/960245498.db2.gz LZOJCIGHLACKKT-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H](C)C(=O)NC1CC[NH+](CCC)CC1 ZINC001144021603 972494253 /nfs/dbraw/zinc/49/42/53/972494253.db2.gz NSLSOWXUNUTCKX-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000695669930 960343206 /nfs/dbraw/zinc/34/32/06/960343206.db2.gz YOXCXHZJWOVNTG-VIFPVBQESA-N 1 0 217.765 2.102 20 30 BEEDRO C=CC[NH2+]CC1(NC(=O)C2=CCCC2)CCCC1 ZINC001267834320 960420143 /nfs/dbraw/zinc/42/01/43/960420143.db2.gz ACOZWNYUYIZRGB-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C[C@H](C)O ZINC000695780854 960455164 /nfs/dbraw/zinc/45/51/64/960455164.db2.gz VWVVDWUDTCXERP-UTUOFQBUSA-N 1 0 226.364 2.311 20 30 BEEDRO COC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1CC1 ZINC000695778017 960455784 /nfs/dbraw/zinc/45/57/84/960455784.db2.gz JZJZCXGLKWUVFW-ZYHUDNBSSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CC[NH+](CC#C)Cc1cccc2ccncc21 ZINC001140648562 960474676 /nfs/dbraw/zinc/47/46/76/960474676.db2.gz FOQFPPWKKRTPDG-UHFFFAOYSA-N 1 0 234.302 2.303 20 30 BEEDRO C[C@@H](CCCO)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695838847 960497025 /nfs/dbraw/zinc/49/70/25/960497025.db2.gz ZTJCYTYXLQIJIJ-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695835919 960498833 /nfs/dbraw/zinc/49/88/33/960498833.db2.gz JDQCXHCHDBHNKY-GHMZBOCLSA-N 1 0 226.364 2.454 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC001267953440 960560640 /nfs/dbraw/zinc/56/06/40/960560640.db2.gz NITCMEKCUSGGOT-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCN(C)Cc1cc(Br)ccn1 ZINC001140765736 960563136 /nfs/dbraw/zinc/56/31/36/960563136.db2.gz MPWURGAGWKDWSU-UHFFFAOYSA-N 1 0 241.132 2.462 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3ccncc23)C1 ZINC001140804806 960598855 /nfs/dbraw/zinc/59/88/55/960598855.db2.gz GBMQPSYMYVLKQT-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702889 960701119 /nfs/dbraw/zinc/70/11/19/960701119.db2.gz FTIYCVMCSSRVHH-AYRXBEOTSA-N 1 0 243.354 2.357 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000651675826 960796117 /nfs/dbraw/zinc/79/61/17/960796117.db2.gz DPCGKGDIRCTBMO-AGIUHOORSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)C(C)C)C(C)C ZINC001481346579 960816205 /nfs/dbraw/zinc/81/62/05/960816205.db2.gz CPOCGUGFVPVNKS-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccoc1 ZINC001027751155 960922937 /nfs/dbraw/zinc/92/29/37/960922937.db2.gz COKSFLRBSKHYIU-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027748950 960923517 /nfs/dbraw/zinc/92/35/17/960923517.db2.gz PNPXTFCSQTWYMW-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)=C1CCC1 ZINC001268063549 961123562 /nfs/dbraw/zinc/12/35/62/961123562.db2.gz NPNWAMNABIYFSY-LLVKDONJSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001481553573 961190082 /nfs/dbraw/zinc/19/00/82/961190082.db2.gz ISCBNLHFOHGHEP-LBPRGKRZSA-N 1 0 248.370 2.252 20 30 BEEDRO N#CCC1C[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207614883 961308516 /nfs/dbraw/zinc/30/85/16/961308516.db2.gz AJWBKHZUTOCRJB-CYZMBNFOSA-N 1 0 202.301 2.044 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)[C@@H](C)CC)C(C)C ZINC001268204685 961427478 /nfs/dbraw/zinc/42/74/78/961427478.db2.gz JPQLUPNLAVQAOG-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@H](O)c1ccccc1 ZINC000229975990 961440301 /nfs/dbraw/zinc/44/03/01/961440301.db2.gz AKMPNRNIHIPWML-KBPBESRZSA-N 1 0 217.312 2.112 20 30 BEEDRO C=C(C)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC001142516213 961476373 /nfs/dbraw/zinc/47/63/73/961476373.db2.gz UHPPPOZHZQBLOZ-UHFFFAOYSA-N 1 0 232.327 2.305 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@H](OC)CC2)cn1 ZINC001139772996 961501783 /nfs/dbraw/zinc/50/17/83/961501783.db2.gz WWWINRVTVOCCSM-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001481689131 961577793 /nfs/dbraw/zinc/57/77/93/961577793.db2.gz XSBBPUSCGMZDRU-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cccc3[nH]cnc32)C1 ZINC001142690035 961624915 /nfs/dbraw/zinc/62/49/15/961624915.db2.gz QCXYEPVTWBNCAS-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CC(C)(C)C=C ZINC001268369824 961681488 /nfs/dbraw/zinc/68/14/88/961681488.db2.gz DFIUOVZIBRRIIF-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CCCCC(=O)NCC[NH2+]CCCCCC ZINC001126344209 961693172 /nfs/dbraw/zinc/69/31/72/961693172.db2.gz PWPBOPNSJMAKGV-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](F)C(C)C ZINC001268391666 961706764 /nfs/dbraw/zinc/70/67/64/961706764.db2.gz COCNWOYXFLUEIJ-VXGBXAGGSA-N 1 0 244.354 2.041 20 30 BEEDRO CC#CCCCC(=O)N[C@@H](C)CC[NH2+]CCC ZINC001268394477 961716308 /nfs/dbraw/zinc/71/63/08/961716308.db2.gz MOCZQQBHMFSEFD-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO CC#CCCCC(=O)N[C@H](C)CC[NH2+]CCC ZINC001268394476 961719972 /nfs/dbraw/zinc/71/99/72/961719972.db2.gz MOCZQQBHMFSEFD-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)/C=C(/C)C1CC1 ZINC001481793434 961827665 /nfs/dbraw/zinc/82/76/65/961827665.db2.gz FOQJAIWHJVMILD-FUWURINLSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C(C)(C)C ZINC001481870119 961854431 /nfs/dbraw/zinc/85/44/31/961854431.db2.gz OYKMXCSNCOGLFZ-JTQLQIEISA-N 1 0 246.782 2.269 20 30 BEEDRO N#CC1CC[NH+](Cc2ccc3nccn3c2)CC1 ZINC001143018194 961863717 /nfs/dbraw/zinc/86/37/17/961863717.db2.gz HKSBYUWFCUUDCB-UHFFFAOYSA-N 1 0 240.310 2.070 20 30 BEEDRO C#CCCCCC[N@@H+](C[C@H](C)O)C1CC1 ZINC000686673770 961875658 /nfs/dbraw/zinc/87/56/58/961875658.db2.gz GYTRVJISCTXKDO-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCCC[NH2+]CC[C@@H]1CCCN(C(C)=O)C1 ZINC001481964841 961888137 /nfs/dbraw/zinc/88/81/37/961888137.db2.gz TZYYLNLISWLNLH-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH+]1CC(CNC(=O)[C@H](C)CC)C1 ZINC001268510267 961895244 /nfs/dbraw/zinc/89/52/44/961895244.db2.gz KYOIRRJAAYELMQ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000686684198 961957491 /nfs/dbraw/zinc/95/74/91/961957491.db2.gz IDQUDAYMTJWOJT-UONOGXRCSA-N 1 0 223.360 2.130 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)N=N1 ZINC001167923396 961983893 /nfs/dbraw/zinc/98/38/93/961983893.db2.gz CLNGLDXTLZBNGK-GDNZZTSVSA-N 1 0 217.316 2.340 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1ccc(C)cc1C ZINC001149680755 962115618 /nfs/dbraw/zinc/11/56/18/962115618.db2.gz KXDCGJRHAOUPEB-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCC1CCCCC1 ZINC001149786507 962126645 /nfs/dbraw/zinc/12/66/45/962126645.db2.gz XNFIWNQSZWHCEC-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940062 962160962 /nfs/dbraw/zinc/16/09/62/962160962.db2.gz OWPGSISNNUWOOT-RVMXOQNASA-N 1 0 204.317 2.411 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH2+]CCCC ZINC001268657151 962245900 /nfs/dbraw/zinc/24/59/00/962245900.db2.gz KIQNBPMDQJPICO-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC=CCC1 ZINC001268700690 962291689 /nfs/dbraw/zinc/29/16/89/962291689.db2.gz RJWWYAJMPCDUNL-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C1(CCC)CC1 ZINC001268702644 962297477 /nfs/dbraw/zinc/29/74/77/962297477.db2.gz DFYZEEQXOTZYGW-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001268710467 962310913 /nfs/dbraw/zinc/31/09/13/962310913.db2.gz JCHINWFQGOINJM-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@@H](C(=O)NCC[NH2+]C(C)C)c1ccccc1 ZINC001152003923 962366373 /nfs/dbraw/zinc/36/63/73/962366373.db2.gz XQEOUEDBMSBGPU-CQSZACIVSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001152455046 962426287 /nfs/dbraw/zinc/42/62/87/962426287.db2.gz QAFXOTDQVDVLJC-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO CCCCCCCC(=O)N1CC2(C1)C[NH+](C)C2 ZINC001269075454 962443110 /nfs/dbraw/zinc/44/31/10/962443110.db2.gz MLIPKXDDFKQKFU-UHFFFAOYSA-N 1 0 238.375 2.121 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C[C@H](C)CC)C1CC1 ZINC001269066800 962443191 /nfs/dbraw/zinc/44/31/91/962443191.db2.gz MFDZGQRYBZEGON-DGCLKSJQSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC ZINC001153012193 962517530 /nfs/dbraw/zinc/51/75/30/962517530.db2.gz FKKHGGORXKOMSE-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)/C=C(\C)C1CC1 ZINC001269205525 962535961 /nfs/dbraw/zinc/53/59/61/962535961.db2.gz MFLVWRBCOVLVBA-BCNIOPEESA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@@H]1CCCC[C@@H]1C ZINC001153245728 962563195 /nfs/dbraw/zinc/56/31/95/962563195.db2.gz DQVVBZCOOFUIFR-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(=O)N(CC)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001269312932 962598624 /nfs/dbraw/zinc/59/86/24/962598624.db2.gz IAMCTCJKDYPPJE-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1C=CCC1 ZINC001269366993 962628233 /nfs/dbraw/zinc/62/82/33/962628233.db2.gz YJNVSWZOEFTILQ-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC=CCC1 ZINC001269371728 962635111 /nfs/dbraw/zinc/63/51/11/962635111.db2.gz MXOZRUXIDXKOPM-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)c2cc(C)co2)CC1 ZINC001269475935 962684375 /nfs/dbraw/zinc/68/43/75/962684375.db2.gz VDNZGERSPUYICN-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCC[C@H](CF)C2)ccn1 ZINC000711419698 962702065 /nfs/dbraw/zinc/70/20/65/962702065.db2.gz KJCWKCFNBKXYMM-GFCCVEGCSA-N 1 0 233.290 2.135 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)c1cccs1 ZINC001154293377 962749007 /nfs/dbraw/zinc/74/90/07/962749007.db2.gz HOFHLEJYXJMHQR-UHFFFAOYSA-N 1 0 238.356 2.034 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCC(C)C ZINC001154464186 962782322 /nfs/dbraw/zinc/78/23/22/962782322.db2.gz OZYOLNOFOYWHQF-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)C ZINC001270007143 962836545 /nfs/dbraw/zinc/83/65/45/962836545.db2.gz SMLYBASFTXZBNM-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(F)c(C#N)c2)C1 ZINC001225819862 962852649 /nfs/dbraw/zinc/85/26/49/962852649.db2.gz IAKOBWRHAHXBBK-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CCC ZINC001482268384 962880807 /nfs/dbraw/zinc/88/08/07/962880807.db2.gz XWEIDVQZSPKACY-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)CC ZINC001154963578 962927003 /nfs/dbraw/zinc/92/70/03/962927003.db2.gz QAOYUKMUWOCTBZ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1ccc(CC#N)c(N[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154988143 962934846 /nfs/dbraw/zinc/93/48/46/962934846.db2.gz PELDWLKRHPCXBU-QWHCGFSZSA-N 1 0 244.342 2.138 20 30 BEEDRO C[NH+](C)Cc1ccnc(NCC2(C#N)CCC2)c1 ZINC001154996843 962939636 /nfs/dbraw/zinc/93/96/36/962939636.db2.gz JTCWHQLZFANRDV-UHFFFAOYSA-N 1 0 244.342 2.249 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)C[NH2+]C(C)C ZINC001270410588 962975454 /nfs/dbraw/zinc/97/54/54/962975454.db2.gz WXQMUEJBHJPNJL-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO CCN(CC[NH+]1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC001254670111 1169817688 /nfs/dbraw/zinc/81/76/88/1169817688.db2.gz ZAMVWECDNRQSHY-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)CC=C ZINC001270526655 963001810 /nfs/dbraw/zinc/00/18/10/963001810.db2.gz TYAKBQKMCBLUHR-GFCCVEGCSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1C[C@H]1CC ZINC001155353947 963058288 /nfs/dbraw/zinc/05/82/88/963058288.db2.gz ZRNZLNIAGGNBBP-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@@H](C)CCC ZINC001155522924 963096937 /nfs/dbraw/zinc/09/69/37/963096937.db2.gz CDNGSGGDPYYLAO-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO CCCO[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254670053 1169818738 /nfs/dbraw/zinc/81/87/38/1169818738.db2.gz YKZVMDMHJVCTNQ-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO N#Cc1cncc(-c2cccc3c2C[NH2+]C3)c1 ZINC000713231906 963139481 /nfs/dbraw/zinc/13/94/81/963139481.db2.gz HFVRKRSTLCSMJQ-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO CCN(CC[NH+]1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254670112 1169820149 /nfs/dbraw/zinc/82/01/49/1169820149.db2.gz ZAMVWECDNRQSHY-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C(C)CN(CC)C(=O)c1cccc2c[nH+]cn21 ZINC001155792750 963173570 /nfs/dbraw/zinc/17/35/70/963173570.db2.gz AKOJTFLHFPSQJQ-UHFFFAOYSA-N 1 0 243.310 2.373 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)CC)C1CCCCC1 ZINC001482403835 963246490 /nfs/dbraw/zinc/24/64/90/963246490.db2.gz YAQPWFHUSXNSEY-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1ccc(CC#N)c(N(CCC[NH3+])C(C)C)n1 ZINC001156124605 963263109 /nfs/dbraw/zinc/26/31/09/963263109.db2.gz XSHRLKKJMHGNCX-UHFFFAOYSA-N 1 0 246.358 2.020 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1CC ZINC001087526879 963267638 /nfs/dbraw/zinc/26/76/38/963267638.db2.gz JHKSLUAEOFRQGH-UONOGXRCSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)CC1CCC1 ZINC001156187460 963281271 /nfs/dbraw/zinc/28/12/71/963281271.db2.gz XIUOAWOIKOGMJS-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CC1CCC1 ZINC001156193366 963281881 /nfs/dbraw/zinc/28/18/81/963281881.db2.gz YKVGIXMMFHLLJY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)/C(C)=C/C ZINC001156342809 963320419 /nfs/dbraw/zinc/32/04/19/963320419.db2.gz KXBJGRFWMMEKOB-LFYBBSHMSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCOc1ccc(CN2CC[C@@](C)([NH3+])C2)cc1 ZINC001204772907 963421270 /nfs/dbraw/zinc/42/12/70/963421270.db2.gz ZVLKXBGSBXMUEG-OAHLLOKOSA-N 1 0 246.354 2.175 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnc(F)c(C)c2)C1 ZINC000895562934 963433652 /nfs/dbraw/zinc/43/36/52/963433652.db2.gz OELBTRNSFATCBB-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C[C@@H](C)CC ZINC001157141617 963543983 /nfs/dbraw/zinc/54/39/83/963543983.db2.gz WJVNCLFMKFAEID-JTQLQIEISA-N 1 0 246.782 2.271 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2cccc(Cl)c2C#N)C1 ZINC001204783209 963545304 /nfs/dbraw/zinc/54/53/04/963545304.db2.gz PMXSPTPQDVMJJR-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C(C)C ZINC001271690737 963582714 /nfs/dbraw/zinc/58/27/14/963582714.db2.gz ZMTBHVHSWPRNTO-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC2CCC1CC2 ZINC000320633050 963583939 /nfs/dbraw/zinc/58/39/39/963583939.db2.gz KYUAAHLYCWMSFB-NWINJMCUSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)CC(C)C)C(C)C ZINC001482511891 963615412 /nfs/dbraw/zinc/61/54/12/963615412.db2.gz IVACRGHSYRVOCS-ZDUSSCGKSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccco1 ZINC001505418004 963650417 /nfs/dbraw/zinc/65/04/17/963650417.db2.gz PKSMRGHCQWIZCV-LBPRGKRZSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001482555557 963711184 /nfs/dbraw/zinc/71/11/84/963711184.db2.gz VUOHOGIAYZLHNL-TZMCWYRMSA-N 1 0 240.391 2.339 20 30 BEEDRO C#CC1([NH2+][C@H]2CCO[C@@H](C)C2)CCCCC1 ZINC001168103688 963720398 /nfs/dbraw/zinc/72/03/98/963720398.db2.gz RQAZIOOFKQCUCD-STQMWFEESA-N 1 0 221.344 2.480 20 30 BEEDRO C#CC1([NH2+][C@H]2CCO[C@H](C)C2)CCCCC1 ZINC001168103686 963720980 /nfs/dbraw/zinc/72/09/80/963720980.db2.gz RQAZIOOFKQCUCD-OLZOCXBDSA-N 1 0 221.344 2.480 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCO[C@H](C)C2)N=N1 ZINC001168107724 963739466 /nfs/dbraw/zinc/73/94/66/963739466.db2.gz XWCRWTXLXCSRPS-VXGBXAGGSA-N 1 0 235.331 2.109 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H]1CCO[C@@H](C)C1 ZINC001168129506 963809157 /nfs/dbraw/zinc/80/91/57/963809157.db2.gz YNKYRCRVRQQAPL-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)CCO1 ZINC001168130332 963809974 /nfs/dbraw/zinc/80/99/74/963809974.db2.gz FIBILEALGKIRMK-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)C1CCC1 ZINC001482575140 963814323 /nfs/dbraw/zinc/81/43/23/963814323.db2.gz CGMKCXNQNYXFMF-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)CCO1 ZINC001168131714 963819802 /nfs/dbraw/zinc/81/98/02/963819802.db2.gz QDRQDEKLLKFFBT-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccoc2)[C@H]1C ZINC001088468952 963839671 /nfs/dbraw/zinc/83/96/71/963839671.db2.gz JUNFCHRINYYALZ-YPMHNXCESA-N 1 0 248.326 2.048 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)c1cc[nH]c1 ZINC001158587272 963891012 /nfs/dbraw/zinc/89/10/12/963891012.db2.gz SQCYJAOHIUIJBL-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO Cc1ccc(CC#N)c(NCC[C@H]2CCC[NH2+]2)n1 ZINC001158626937 963896235 /nfs/dbraw/zinc/89/62/35/963896235.db2.gz KZRAYEIXAWGAIA-CYBMUJFWSA-N 1 0 244.342 2.010 20 30 BEEDRO C#C[C@](C)(CC)Nc1cccc(N(C)C)[nH+]1 ZINC001158736817 963910444 /nfs/dbraw/zinc/91/04/44/963910444.db2.gz NDIZRKYBSQPWHH-CYBMUJFWSA-N 1 0 217.316 2.361 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC(C)(C)CC ZINC001158805372 963927866 /nfs/dbraw/zinc/92/78/66/963927866.db2.gz RLMXPPRVBUOTCP-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+]C1CCC(C)CC1 ZINC001168200414 963969158 /nfs/dbraw/zinc/96/91/58/963969158.db2.gz BXJCNZYIKXLFJW-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]C/C=C/Cl ZINC001159040333 963980932 /nfs/dbraw/zinc/98/09/32/963980932.db2.gz NSNTYZUFSNHRQH-XVNBXDOJSA-N 1 0 244.766 2.191 20 30 BEEDRO Cc1oc(NC2=C[NH2+]CCC2)c(C#N)c1C ZINC001159216032 964021854 /nfs/dbraw/zinc/02/18/54/964021854.db2.gz ZDFMJSDNCHFKEJ-UHFFFAOYSA-N 1 0 217.272 2.405 20 30 BEEDRO C=C(C)Nc1ccc(OCC2CC[NH2+]CC2)nc1 ZINC001159339621 964066998 /nfs/dbraw/zinc/06/69/98/964066998.db2.gz KRSSOHJEBKQLLD-UHFFFAOYSA-N 1 0 247.342 2.406 20 30 BEEDRO N#Cc1cc(F)c(NC2=C[NH2+]CCC2)c(F)c1 ZINC001159590317 964125421 /nfs/dbraw/zinc/12/54/21/964125421.db2.gz IRLFPUGJNBNVJI-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO N#Cc1ccc(NC2=C[NH2+]CCC2)c(F)c1F ZINC001159704522 964159555 /nfs/dbraw/zinc/15/95/55/964159555.db2.gz YPKMNTGAZINPHN-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CCC1(C)CC1 ZINC001482887093 964233689 /nfs/dbraw/zinc/23/36/89/964233689.db2.gz YJQIQYTXLWBXFJ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)([NH3+])CNc1ccc(C2(C#N)CCC2)cn1 ZINC001160031633 964241515 /nfs/dbraw/zinc/24/15/15/964241515.db2.gz BMRSDWZVPWVAGE-UHFFFAOYSA-N 1 0 244.342 2.176 20 30 BEEDRO Cc1nc(NC[C@@H]2CCCC[NH2+]2)ccc1CC#N ZINC001160150757 964258788 /nfs/dbraw/zinc/25/87/88/964258788.db2.gz LNISMUOCLAXNLL-ZDUSSCGKSA-N 1 0 244.342 2.010 20 30 BEEDRO C=CC[N@H+]1CC=C(CCNC(=O)C2(C)CC2)CC1 ZINC001160202123 964264096 /nfs/dbraw/zinc/26/40/96/964264096.db2.gz KSQWUSNFAUNSBH-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1ccnc(CC)n1 ZINC001160954528 964453108 /nfs/dbraw/zinc/45/31/08/964453108.db2.gz WSVSBKBXVPTVCB-LBPRGKRZSA-N 1 0 246.358 2.101 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1ncnc(C)c1C ZINC001160953246 964457674 /nfs/dbraw/zinc/45/76/74/964457674.db2.gz YUJHZPRXEWGZJH-ZDUSSCGKSA-N 1 0 246.358 2.156 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CCNc1cc(CC#N)ccn1 ZINC001160970351 964459847 /nfs/dbraw/zinc/45/98/47/964459847.db2.gz FAIBMPNTZSHUQO-CYBMUJFWSA-N 1 0 244.342 2.044 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC ZINC001272226490 964532394 /nfs/dbraw/zinc/53/23/94/964532394.db2.gz RRLFFCQPPRYQQK-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCCCCC[C@H](C)C(=O)N1CC[NH2+]C1 ZINC001161418807 964599177 /nfs/dbraw/zinc/59/91/77/964599177.db2.gz QSZJKQGNCVFRFN-LBPRGKRZSA-N 1 0 226.364 2.372 20 30 BEEDRO C[NH+]1C(C)(C)CC(OCC#N)CC1(C)C ZINC001224379934 964607040 /nfs/dbraw/zinc/60/70/40/964607040.db2.gz CCPPGEZYFZOGKS-UHFFFAOYSA-N 1 0 210.321 2.178 20 30 BEEDRO C[NH+](C)CC[C@H](OCC#N)c1ccccc1 ZINC001224383107 964611514 /nfs/dbraw/zinc/61/15/14/964611514.db2.gz VUPAWJNPVFATLM-ZDUSSCGKSA-N 1 0 218.300 2.220 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)C=CCC2)[C@H]1C ZINC001088799664 964623500 /nfs/dbraw/zinc/62/35/00/964623500.db2.gz COOBJMMPMCDWEU-VNHYZAJKSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)/C(C)=C\C ZINC001483117732 964637497 /nfs/dbraw/zinc/63/74/97/964637497.db2.gz DAGVEQGMQHXJTR-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)=C1CCC1 ZINC001126902982 964718087 /nfs/dbraw/zinc/71/80/87/964718087.db2.gz DXBJCLBFOYYHNV-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(C)=C1CCC1 ZINC001126907779 964729804 /nfs/dbraw/zinc/72/98/04/964729804.db2.gz VVFBSEBXOZHICR-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)CCC(=C)C ZINC001483131869 964748275 /nfs/dbraw/zinc/74/82/75/964748275.db2.gz PAROUGPMNJUDJF-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@H]3CCO[C@H]3C2)CC1 ZINC001256963073 1169847420 /nfs/dbraw/zinc/84/74/20/1169847420.db2.gz BSBNFKKLICKJID-HHTDUIENSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001483170939 964796952 /nfs/dbraw/zinc/79/69/52/964796952.db2.gz YZUYODXKUGZCND-LLVKDONJSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2(C)CC=CC2)[C@H]1C ZINC001088837183 964856555 /nfs/dbraw/zinc/85/65/55/964856555.db2.gz RNYGUFZWNYJFRI-OLZOCXBDSA-N 1 0 248.370 2.108 20 30 BEEDRO Cc1ncc(C[NH2+]C#C[Si](C)(C)C)s1 ZINC001162159673 964857682 /nfs/dbraw/zinc/85/76/82/964857682.db2.gz KHHSLOVCWUAIEG-UHFFFAOYSA-N 1 0 224.405 2.379 20 30 BEEDRO C[C@@H](OC[C@@H]1CCCC[N@@H+]1C)[C@H](C)S ZINC001224705099 964892333 /nfs/dbraw/zinc/89/23/33/964892333.db2.gz DMGWTEAGXGVQDF-VWYCJHECSA-N 1 0 217.378 2.194 20 30 BEEDRO Cc1ccc(N=NC2C[C@H]3CCC[N@@H+](C2)C3)nc1 ZINC000905444351 964914218 /nfs/dbraw/zinc/91/42/18/964914218.db2.gz DMUXGFNLLMLAQK-GFCCVEGCSA-N 1 0 244.342 2.274 20 30 BEEDRO C=CC[C@@H](CCC)OCC[N+](C)(C)C ZINC001224775242 964938508 /nfs/dbraw/zinc/93/85/08/964938508.db2.gz KCLILZHQLXLXLZ-LBPRGKRZSA-N 1 0 200.346 2.454 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(C)CCCC1 ZINC001483252534 964945173 /nfs/dbraw/zinc/94/51/73/964945173.db2.gz GAZUNZWXIFTRLG-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]CCC(C)C ZINC001483254307 964945942 /nfs/dbraw/zinc/94/59/42/964945942.db2.gz CLVQGMFNSGBTNJ-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO COc1cncc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC001256959360 1169852439 /nfs/dbraw/zinc/85/24/39/1169852439.db2.gz BIVPPBKDYBAIOY-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)CC ZINC001483262171 964949660 /nfs/dbraw/zinc/94/96/60/964949660.db2.gz ISDBIRDSVCMNKD-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)/C(C)=C\C ZINC001483327556 964974491 /nfs/dbraw/zinc/97/44/91/964974491.db2.gz KZJCKNACBVURKP-OTAKNEKHSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)nc1 ZINC001162476433 964991397 /nfs/dbraw/zinc/99/13/97/964991397.db2.gz YVJUECRAWLSDJM-RYUDHWBXSA-N 1 0 235.306 2.227 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@H](C)C(C)(C)C ZINC001483474535 965018298 /nfs/dbraw/zinc/01/82/98/965018298.db2.gz LSLPAURPNBCBRP-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO Cc1cc(NC[C@H]2C[NH2+][C@H](C)C2)ccc1CC#N ZINC001162556671 965049433 /nfs/dbraw/zinc/04/94/33/965049433.db2.gz PZALEMWAQIJBOZ-CHWSQXEVSA-N 1 0 243.354 2.471 20 30 BEEDRO N#CCc1ccc(Cl)cc1-n1nccc1C[NH3+] ZINC001162597342 965067511 /nfs/dbraw/zinc/06/75/11/965067511.db2.gz LEEZKVZYMFKTBV-UHFFFAOYSA-N 1 0 246.701 2.050 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000698158309 965070963 /nfs/dbraw/zinc/07/09/63/965070963.db2.gz TZMAVXOUEIVIJT-ZIAGYGMSSA-N 1 0 243.391 2.165 20 30 BEEDRO Cc1cc(N2CCc3c[nH+]ccc32)ncc1C#N ZINC001162636983 965079907 /nfs/dbraw/zinc/07/99/07/965079907.db2.gz DXNALOXTCMSHQG-UHFFFAOYSA-N 1 0 236.278 2.351 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001105740875 965101782 /nfs/dbraw/zinc/10/17/82/965101782.db2.gz QRGFRKWAVRUFCP-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCN(CC#N)C1CC[NH+](CC2CC2)CC1 ZINC001168387796 965114069 /nfs/dbraw/zinc/11/40/69/965114069.db2.gz UPXAKYGRNLGQPX-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1cc(F)cc(CC#N)c1 ZINC001162680804 965117247 /nfs/dbraw/zinc/11/72/47/965117247.db2.gz PWKDZLDNSVBCHE-NOZJJQNGSA-N 1 0 233.290 2.054 20 30 BEEDRO Fc1ccc2c(c1)CC[C@H]([NH2+]CCS)C2 ZINC001168400246 965201259 /nfs/dbraw/zinc/20/12/59/965201259.db2.gz KJIKZNKCQCPQML-LBPRGKRZSA-N 1 0 225.332 2.202 20 30 BEEDRO C#C[C@H](C)Nc1cc(N2CCC[C@@H](C)C2)ncn1 ZINC001163161681 965279388 /nfs/dbraw/zinc/27/93/88/965279388.db2.gz SXTHGIJLOSTNFT-NEPJUHHUSA-N 1 0 244.342 2.147 20 30 BEEDRO N#CCNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001163183186 965285083 /nfs/dbraw/zinc/28/50/83/965285083.db2.gz BXAAYZSXWUYXQR-UHFFFAOYSA-N 1 0 239.322 2.270 20 30 BEEDRO C#CCNc1ccc(C)cc1C[NH+](C)C ZINC001163372285 965373382 /nfs/dbraw/zinc/37/33/82/965373382.db2.gz KUGHKVBPEBRFDS-UHFFFAOYSA-N 1 0 202.301 2.102 20 30 BEEDRO C=C(C)CNc1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC001163374384 965377441 /nfs/dbraw/zinc/37/74/41/965377441.db2.gz TZBJIRLVWOLOIE-LBPRGKRZSA-N 1 0 246.358 2.240 20 30 BEEDRO O=C1C=C(Nc2cccn3c[nH+]cc23)CCC1 ZINC001163458206 965411713 /nfs/dbraw/zinc/41/17/13/965411713.db2.gz YJWTVQMVEUCEGM-UHFFFAOYSA-N 1 0 227.267 2.383 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)[C@H](C)CC)CC1 ZINC001163496063 965419309 /nfs/dbraw/zinc/41/93/09/965419309.db2.gz FZXQSGFNWFWAEX-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1cc(O)cc(C[NH+]2CCC(C#N)CC2)c1 ZINC001232881046 965425310 /nfs/dbraw/zinc/42/53/10/965425310.db2.gz UXWYCTFPNLBGOU-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c(C#N)c1 ZINC001232963218 965444096 /nfs/dbraw/zinc/44/40/96/965444096.db2.gz ZNSFEHKHRWAURT-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO N#Cc1ccc(OCC[NH+]2CCC(F)CC2)cc1 ZINC000689904239 965455242 /nfs/dbraw/zinc/45/52/42/965455242.db2.gz JGFHFONLXZWTBS-UHFFFAOYSA-N 1 0 248.301 2.371 20 30 BEEDRO N#CCCCCNc1cccc(C[NH3+])c1 ZINC001168428742 965471400 /nfs/dbraw/zinc/47/14/00/965471400.db2.gz BVYFPJLGGNGTDM-UHFFFAOYSA-N 1 0 203.289 2.251 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001233080642 965474100 /nfs/dbraw/zinc/47/41/00/965474100.db2.gz RSEYPGFFTDFQPI-NHYWBVRUSA-N 1 0 244.338 2.069 20 30 BEEDRO N#CCCCCNc1ccccc1CC[NH3+] ZINC001168433828 965502891 /nfs/dbraw/zinc/50/28/91/965502891.db2.gz KDRSBDMRMIDRRW-UHFFFAOYSA-N 1 0 217.316 2.294 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CCc1cccc(O)c1 ZINC001163698463 965517975 /nfs/dbraw/zinc/51/79/75/965517975.db2.gz OVJVRHAYALHZPH-UHFFFAOYSA-N 1 0 233.387 2.363 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)c2ccco2)CC1 ZINC001483710525 965559059 /nfs/dbraw/zinc/55/90/59/965559059.db2.gz GPHDHSMJFJSGGZ-UHFFFAOYSA-N 1 0 248.326 2.098 20 30 BEEDRO CC(=O)C=C(C)Nc1ccc([C@H](C)[NH3+])nc1 ZINC001163742446 965563879 /nfs/dbraw/zinc/56/38/79/965563879.db2.gz HPEZITWRNMMKGJ-ZEBCKKTISA-N 1 0 219.288 2.006 20 30 BEEDRO C=CCCC(=O)NCCC1(C[NH2+]C(C)C)CC1 ZINC001163752395 965569419 /nfs/dbraw/zinc/56/94/19/965569419.db2.gz SLQUFCIHPMSKOM-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CNC(=O)CCCC)CC1 ZINC001483716272 965585143 /nfs/dbraw/zinc/58/51/43/965585143.db2.gz OHPCYVHKJZBERV-UHFFFAOYSA-N 1 0 244.766 2.168 20 30 BEEDRO Cc1cc(CC#N)ccc1N[C@H](C)C[NH+](C)C ZINC001163783034 965590228 /nfs/dbraw/zinc/59/02/28/965590228.db2.gz XIXCLUXRFWRNOS-GFCCVEGCSA-N 1 0 231.343 2.423 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1ccc2c(c1)CC/C2=N/O ZINC001163783112 965590468 /nfs/dbraw/zinc/59/04/68/965590468.db2.gz YMJZQOYHOMUDNH-UKNJIDDLSA-N 1 0 247.342 2.173 20 30 BEEDRO CC1(C#N)CN(c2cc(N3CCCC3)cc[nH+]2)C1 ZINC001163952206 965657678 /nfs/dbraw/zinc/65/76/78/965657678.db2.gz YIBWFZXLSCJIEY-UHFFFAOYSA-N 1 0 242.326 2.032 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)/C(C)=C/C)CC1 ZINC001163987727 965681760 /nfs/dbraw/zinc/68/17/60/965681760.db2.gz XTWIHDTWVIXCAH-LFYBBSHMSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[C@@H]1C ZINC001164111493 965738288 /nfs/dbraw/zinc/73/82/88/965738288.db2.gz QLPSTUHQUJYYJF-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C/C(=N\O)c1ccc(N(CCC[NH3+])C(C)C)cc1 ZINC001164128910 965749396 /nfs/dbraw/zinc/74/93/96/965749396.db2.gz OJVCPCXUNFZMRM-FOWTUZBSSA-N 1 0 249.358 2.448 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC001164178249 965779687 /nfs/dbraw/zinc/77/96/87/965779687.db2.gz MYFWGXLZDYEVMG-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]CCCC ZINC001164224041 965802074 /nfs/dbraw/zinc/80/20/74/965802074.db2.gz ZQOICFWYPWMOHJ-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)[C@H](C)C=C ZINC001164234209 965808094 /nfs/dbraw/zinc/80/80/94/965808094.db2.gz SVKWBISULDPXTO-CHWSQXEVSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH2+]CCCC ZINC001164360081 965859953 /nfs/dbraw/zinc/85/99/53/965859953.db2.gz DOOAUPRTEPTIHO-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)CC(=C)C ZINC001164360396 965860305 /nfs/dbraw/zinc/86/03/05/965860305.db2.gz JOAPPFLCFYINIY-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@H](C=C)CC ZINC001164365497 965862469 /nfs/dbraw/zinc/86/24/69/965862469.db2.gz BBJUYKRNFJGWSU-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO Cc1nc(C)c(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)[nH]1 ZINC001234645945 965866874 /nfs/dbraw/zinc/86/68/74/965866874.db2.gz WGOWRUXUPYOLCM-XYYAHUGASA-N 1 0 244.342 2.293 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1cc[nH]c1C(C)C ZINC001164416040 965877821 /nfs/dbraw/zinc/87/78/21/965877821.db2.gz KFSKHNFACWESPG-UHFFFAOYSA-N 1 0 249.358 2.034 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C1CCC1 ZINC001272609637 965981186 /nfs/dbraw/zinc/98/11/86/965981186.db2.gz CDULUCMYCVDTSW-SNVBAGLBSA-N 1 0 244.766 2.023 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000699635610 966011675 /nfs/dbraw/zinc/01/16/75/966011675.db2.gz GEUVHHJOWRZOHD-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H](C[NH2+]CC)[C@H](C)C1 ZINC001106611837 966020542 /nfs/dbraw/zinc/02/05/42/966020542.db2.gz FFGRMJLZAUOXGJ-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(CC)no2)CC1 ZINC001203227204 966042552 /nfs/dbraw/zinc/04/25/52/966042552.db2.gz ALUUVQMGOAHSGN-UHFFFAOYSA-N 1 0 218.300 2.082 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000699780887 966085894 /nfs/dbraw/zinc/08/58/94/966085894.db2.gz CTVJYSLHZFOKQL-SMDDNHRTSA-N 1 0 248.301 2.212 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CCCc1ccncc1 ZINC001165524382 966112006 /nfs/dbraw/zinc/11/20/06/966112006.db2.gz FMBDVGAXBOHFAC-UHFFFAOYSA-N 1 0 232.403 2.442 20 30 BEEDRO CCCCN[NH+]=Cc1ccc(N(C)C)cc1 ZINC000915966339 966168499 /nfs/dbraw/zinc/16/84/99/966168499.db2.gz QUQMWLYRLPEUQV-UHFFFAOYSA-N 1 0 219.332 2.476 20 30 BEEDRO C=CCCC1(C(=O)NCCC[NH2+]CC=C)CC1 ZINC001165914137 966199914 /nfs/dbraw/zinc/19/99/14/966199914.db2.gz VEDVEXZLDCCCKX-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC1(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC001165921808 966204428 /nfs/dbraw/zinc/20/44/28/966204428.db2.gz SODBVPMETIVTKN-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C1(CC)CC1 ZINC001165983293 966224873 /nfs/dbraw/zinc/22/48/73/966224873.db2.gz TZLKLEWTMBMWPX-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236289835 966342836 /nfs/dbraw/zinc/34/28/36/966342836.db2.gz SMDLJRPVKGRDEI-OLZOCXBDSA-N 1 0 210.365 2.251 20 30 BEEDRO CCCCCCCCN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236289838 966343368 /nfs/dbraw/zinc/34/33/68/966343368.db2.gz SMDLJRPVKGRDEI-QWHCGFSZSA-N 1 0 210.365 2.251 20 30 BEEDRO CC#C[C@@H](CC)OCC[NH+]1CCCCC1 ZINC001206718042 966402426 /nfs/dbraw/zinc/40/24/26/966402426.db2.gz MKRKJYDZELTDSN-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)C ZINC001483952585 966406109 /nfs/dbraw/zinc/40/61/09/966406109.db2.gz YTMFGCUPNYQTQC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H](OCC[NH+]1CCCCC1)C(C)C ZINC001206718393 966409690 /nfs/dbraw/zinc/40/96/90/966409690.db2.gz QAAOISODZJKHHF-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCC)C1 ZINC001484330114 966456532 /nfs/dbraw/zinc/45/65/32/966456532.db2.gz CFCPUROPMIMKPM-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)CC)C[C@@H]1C ZINC001484357915 966458266 /nfs/dbraw/zinc/45/82/66/966458266.db2.gz KDQQVVHALSMONN-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC ZINC001484615746 966495954 /nfs/dbraw/zinc/49/59/54/966495954.db2.gz DZLSZCZHPKVAON-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCC)CC1 ZINC001484709260 966509456 /nfs/dbraw/zinc/50/94/56/966509456.db2.gz FKQMQMQCEUGQJQ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)N1CCC(C)([NH2+]CCC)CC1 ZINC001484913177 966523818 /nfs/dbraw/zinc/52/38/18/966523818.db2.gz FSXNCISGXTZKPK-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)C1CCC1 ZINC001484994363 966533444 /nfs/dbraw/zinc/53/34/44/966533444.db2.gz UKLSRINQCPIWQI-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)C1CC=CC1 ZINC001272695250 966533681 /nfs/dbraw/zinc/53/36/81/966533681.db2.gz JRPIYMLXEBMYCH-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[NH2+]CC1CC(NC(=O)CCC)C1 ZINC001485084725 966541385 /nfs/dbraw/zinc/54/13/85/966541385.db2.gz NRUDFMQJYURZER-UHFFFAOYSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)F ZINC001485114078 966542566 /nfs/dbraw/zinc/54/25/66/966542566.db2.gz LMPNRXJKHTZCBU-GHMZBOCLSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC1CC1 ZINC001485129909 966546080 /nfs/dbraw/zinc/54/60/80/966546080.db2.gz NQINDUOTZRWHSQ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H]1C[C@H](NC(C)=O)C1 ZINC001485674154 966620454 /nfs/dbraw/zinc/62/04/54/966620454.db2.gz ZKGYGHAAMULGED-HDJSIYSDSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1c(F)cccc1CC ZINC001203536163 966671035 /nfs/dbraw/zinc/67/10/35/966671035.db2.gz GVHXRXJCDPTSHS-CYBMUJFWSA-N 1 0 249.329 2.252 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001203900200 966815770 /nfs/dbraw/zinc/81/57/70/966815770.db2.gz UECCGEPSAOUHJE-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO N#Cc1ccc2c(C[NH+]3CCC3)c[nH]c2c1 ZINC001142911949 966847364 /nfs/dbraw/zinc/84/73/64/966847364.db2.gz PKNUXGKTJUGCRF-UHFFFAOYSA-N 1 0 211.268 2.245 20 30 BEEDRO C=CCN1CC[NH+](Cc2sccc2C)CC1 ZINC001204020189 966854148 /nfs/dbraw/zinc/85/41/48/966854148.db2.gz ARQDTRHNMHZLDJ-UHFFFAOYSA-N 1 0 236.384 2.360 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccnc1 ZINC001204075333 966882543 /nfs/dbraw/zinc/88/25/43/966882543.db2.gz CIFGJINBZXTGRN-ZSOGYDGISA-N 1 0 227.311 2.348 20 30 BEEDRO Oc1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001204098068 966895315 /nfs/dbraw/zinc/89/53/15/966895315.db2.gz VLBFXSUIWVHIQS-UHFFFAOYSA-N 1 0 223.341 2.286 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@H](c2ccc(OC)cc2)C1 ZINC001168582206 966919480 /nfs/dbraw/zinc/91/94/80/966919480.db2.gz CPDQZROGAVYQPR-HIFRSBDPSA-N 1 0 245.322 2.138 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)CCC ZINC001492381202 1169898533 /nfs/dbraw/zinc/89/85/33/1169898533.db2.gz JSEPAGCXYDEWIX-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO CCC1(Nc2ccc(CCC#N)cc2)C[NH2+]C1 ZINC001168583486 966929627 /nfs/dbraw/zinc/92/96/27/966929627.db2.gz MPEGHQIHJOIVHM-UHFFFAOYSA-N 1 0 229.327 2.307 20 30 BEEDRO C[C@@]1(O)CCCC[N@H+](Cc2ccccc2C#N)C1 ZINC001204366543 966979258 /nfs/dbraw/zinc/97/92/58/966979258.db2.gz OWVOCZHUSZODHM-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO N#Cc1ccccc1CN1CCC[C@@]2(CCO2)C1 ZINC001204371993 966988365 /nfs/dbraw/zinc/98/83/65/966988365.db2.gz UEBSHIQDPLNEDV-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)CCCC)CC1 ZINC001204516597 967018088 /nfs/dbraw/zinc/01/80/88/967018088.db2.gz CWCCMLMVCBIIKT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2ccc(C#N)nn2)cc1 ZINC001204597973 967094473 /nfs/dbraw/zinc/09/44/73/967094473.db2.gz PUKYJSOEFSWCNB-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)CC ZINC001168629484 967138463 /nfs/dbraw/zinc/13/84/63/967138463.db2.gz IWTSYKWBDYVTIA-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[NH2+]CC(C)C ZINC001128088055 967164514 /nfs/dbraw/zinc/16/45/14/967164514.db2.gz KJTSDUZTCYOGRO-UHFFFAOYSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCOc1cccc(CN2CC[C@](C)([NH3+])C2)c1 ZINC001204791384 967173157 /nfs/dbraw/zinc/17/31/57/967173157.db2.gz PYNVDBMSKXGNAI-HNNXBMFYSA-N 1 0 246.354 2.175 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001278547133 967247127 /nfs/dbraw/zinc/24/71/27/967247127.db2.gz MPHBBGKXBQXEMI-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)C=C2CCC2)CC1 ZINC001204950183 967250090 /nfs/dbraw/zinc/25/00/90/967250090.db2.gz GQHPJDATFKQBHZ-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=C(Cl)C[NH2+]CCCC[C@H](C)NC(=O)CC ZINC001168669429 967261387 /nfs/dbraw/zinc/26/13/87/967261387.db2.gz MLEJCSYPEFAFMV-NSHDSACASA-N 1 0 246.782 2.414 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnc(OCC)c2)C1 ZINC001250014733 967273780 /nfs/dbraw/zinc/27/37/80/967273780.db2.gz MZLCPHARDPGFPS-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)c1ccccc1C ZINC001485852340 967294199 /nfs/dbraw/zinc/29/41/99/967294199.db2.gz KXRIGKJETLGUPV-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)/C(C)=C\C ZINC001485860549 967298185 /nfs/dbraw/zinc/29/81/85/967298185.db2.gz HXMKXWQERUYFPW-OTAKNEKHSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001485853375 967298461 /nfs/dbraw/zinc/29/84/61/967298461.db2.gz LJWPLTKMFZRSTR-LXSSAFMLSA-N 1 0 244.766 2.142 20 30 BEEDRO N#Cc1cc(CN2CCC[C@H]([NH3+])CC2)ccc1F ZINC001205095358 967336588 /nfs/dbraw/zinc/33/65/88/967336588.db2.gz XGMZFTNJDSQSHW-ZDUSSCGKSA-N 1 0 247.317 2.011 20 30 BEEDRO N#Cc1ccc(-c2ccc(C[NH3+])nc2)cc1F ZINC001240151690 967389141 /nfs/dbraw/zinc/38/91/41/967389141.db2.gz FLHXATIWOSXGJF-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)/C=C(\C)C2CC2)C1 ZINC001486456517 967390232 /nfs/dbraw/zinc/39/02/32/967390232.db2.gz POQMAXBAABPPEA-DHZHZOJOSA-N 1 0 248.370 2.108 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(C#N)c(Cl)c1 ZINC001205191122 967418853 /nfs/dbraw/zinc/41/88/53/967418853.db2.gz XDZHAEXFTZSUFS-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO CCc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)ccc1C#N ZINC001205202346 967426307 /nfs/dbraw/zinc/42/63/07/967426307.db2.gz RKGBWSCWMPDTCW-IAQYHMDHSA-N 1 0 243.354 2.042 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001278553426 967432472 /nfs/dbraw/zinc/43/24/72/967432472.db2.gz XBJOZHBGURRQFH-JSGCOSHPSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC=CC2)C1 ZINC001278553427 967433278 /nfs/dbraw/zinc/43/32/78/967433278.db2.gz XBJOZHBGURRQFH-OCCSQVGLSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CCCCC ZINC001128252162 967445356 /nfs/dbraw/zinc/44/53/56/967445356.db2.gz DVFSRFYOTWALJL-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO N#Cc1cc(F)cc(CC[NH+]2CCCC2)c1 ZINC001250163659 967457523 /nfs/dbraw/zinc/45/75/23/967457523.db2.gz FNKQKHPGFZRTJP-UHFFFAOYSA-N 1 0 218.275 2.336 20 30 BEEDRO C#CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168699693 967464449 /nfs/dbraw/zinc/46/44/49/967464449.db2.gz NLFJZWJNPVXWKU-NSHDSACASA-N 1 0 219.715 2.420 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)CC(C)(C)C ZINC001317541099 1169907251 /nfs/dbraw/zinc/90/72/51/1169907251.db2.gz OVAGZVVNWXIOFG-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CCCCCF ZINC001128409016 967542853 /nfs/dbraw/zinc/54/28/53/967542853.db2.gz PTRGJXMKVOZXDV-UHFFFAOYSA-N 1 0 244.354 2.188 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCC(=C)C ZINC001128414287 967550489 /nfs/dbraw/zinc/55/04/89/967550489.db2.gz XMGYSGDYGHUFMJ-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=C(C)Cc1cnn(C2CC[NH+](C)CC2)c1 ZINC001250243963 967554940 /nfs/dbraw/zinc/55/49/40/967554940.db2.gz AHRLGJOQNWSCKY-UHFFFAOYSA-N 1 0 219.332 2.268 20 30 BEEDRO C=C(C)Cc1ccc(N2CC[NH2+]CC2)cc1 ZINC001250246560 967558965 /nfs/dbraw/zinc/55/89/65/967558965.db2.gz QPKIWTBHDMOHMH-UHFFFAOYSA-N 1 0 216.328 2.215 20 30 BEEDRO C[C@H](C#N)C[NH2+]Cc1ccc(Cl)cc1O ZINC001205366109 967596426 /nfs/dbraw/zinc/59/64/26/967596426.db2.gz FYTDXIFKLSTUHI-MRVPVSSYSA-N 1 0 224.691 2.295 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)c2ccco2)CCC1 ZINC001273032495 967671959 /nfs/dbraw/zinc/67/19/59/967671959.db2.gz SRELLYAOOWGKHX-UHFFFAOYSA-N 1 0 248.326 2.098 20 30 BEEDRO N#Cc1ccccc1CO[C@@H]1C[NH+]2CCC1CC2 ZINC001205584576 967708350 /nfs/dbraw/zinc/70/83/50/967708350.db2.gz AZYVWTFZZBRZFW-OAHLLOKOSA-N 1 0 242.322 2.169 20 30 BEEDRO N#Cc1ccccc1CO[C@H]1C[NH+]2CCC1CC2 ZINC001205584575 967708997 /nfs/dbraw/zinc/70/89/97/967708997.db2.gz AZYVWTFZZBRZFW-HNNXBMFYSA-N 1 0 242.322 2.169 20 30 BEEDRO C[N@@H+]1CCC[C@H](OCc2cccc(C#N)c2)C1 ZINC001205589858 967713026 /nfs/dbraw/zinc/71/30/26/967713026.db2.gz QDJORTKHYVBGLR-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](OCCCCC#N)C1 ZINC001205672383 967762850 /nfs/dbraw/zinc/76/28/50/967762850.db2.gz JVYVCQNHOCPXMG-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCCCCO ZINC000695785870 967807954 /nfs/dbraw/zinc/80/79/54/967807954.db2.gz GHOKZOCKONWDOE-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)CC[C@H]1CN ZINC001205803505 967829470 /nfs/dbraw/zinc/82/94/70/967829470.db2.gz HGTGPRUTJMDKFQ-STQMWFEESA-N 1 0 210.365 2.402 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)C)C1 ZINC001205808670 967834108 /nfs/dbraw/zinc/83/41/08/967834108.db2.gz JCQSADYTZUGQJT-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C[NH+](C)CC(C)(C)CNc1ncccc1CC#N ZINC001168762360 968016599 /nfs/dbraw/zinc/01/65/99/968016599.db2.gz HZCGVEMGAFMQRH-UHFFFAOYSA-N 1 0 246.358 2.147 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1cc(F)cc(CC#N)c1 ZINC001163786148 968120843 /nfs/dbraw/zinc/12/08/43/968120843.db2.gz LIXGSEREMLJXGP-JTQLQIEISA-N 1 0 235.306 2.254 20 30 BEEDRO N#C[C@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC001206302292 968210362 /nfs/dbraw/zinc/21/03/62/968210362.db2.gz HJKRLSHHUHDITE-AWEZNQCLSA-N 1 0 230.311 2.364 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC)C[C@H]1C ZINC001082426810 968244295 /nfs/dbraw/zinc/24/42/95/968244295.db2.gz GMFCTDWWRFDIBT-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1cn(-c2cc[nH+]c(N)c2)c2ccc(N)cc12 ZINC001206578109 968396511 /nfs/dbraw/zinc/39/65/11/968396511.db2.gz HSXOMJLIHBIUIG-UHFFFAOYSA-N 1 0 249.277 2.062 20 30 BEEDRO C#C[C@H](CCC)OCC[NH+]1CCCCC1 ZINC001206710449 968436925 /nfs/dbraw/zinc/43/69/25/968436925.db2.gz ZMJGJJLFQXDKHQ-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC001119699624 968457962 /nfs/dbraw/zinc/45/79/62/968457962.db2.gz VJBRVEXSRIIHBA-ZIAGYGMSSA-N 1 0 241.375 2.230 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000822078729 968506845 /nfs/dbraw/zinc/50/68/45/968506845.db2.gz BAFGDMMLFMPUOL-QEYWKRMJSA-N 1 0 214.259 2.169 20 30 BEEDRO CCCC[C@@H](O)C[N@H+](CCC)CCC#N ZINC001252087323 968509187 /nfs/dbraw/zinc/50/91/87/968509187.db2.gz ANDVUTFFFYUAJN-GFCCVEGCSA-N 1 0 212.337 2.163 20 30 BEEDRO Cc1ncsc1C[NH+]1CCC(S)CC1 ZINC001206987900 968527165 /nfs/dbraw/zinc/52/71/65/968527165.db2.gz WYQNABZWBZPUPP-UHFFFAOYSA-N 1 0 228.386 2.346 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C(=O)CC)C1 ZINC001206982936 968527325 /nfs/dbraw/zinc/52/73/25/968527325.db2.gz ZECNDXKXIKCAKJ-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001252116544 968601968 /nfs/dbraw/zinc/60/19/68/968601968.db2.gz XYUVTCHGQHKJBD-SNVBAGLBSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@@H]([NH2+]CC)C(C)(C)C1 ZINC001278645413 968602516 /nfs/dbraw/zinc/60/25/16/968602516.db2.gz QSKFJMBCYAGGMQ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCC[C@H](O)C[NH2+]CC#CC(C)(C)C ZINC001252119203 968603256 /nfs/dbraw/zinc/60/32/56/968603256.db2.gz UUDWNGRSNWIIRB-LBPRGKRZSA-N 1 0 211.349 2.177 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCO1 ZINC001252135617 968607909 /nfs/dbraw/zinc/60/79/09/968607909.db2.gz GNBSIQMYVFBGHL-KBPBESRZSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)(C)O ZINC001252131733 968609508 /nfs/dbraw/zinc/60/95/08/968609508.db2.gz TYRZGWCIUCVYHD-CYBMUJFWSA-N 1 0 245.407 2.458 20 30 BEEDRO N#Cc1cc2ccccc2nc1C1=CCC[NH2+]C1 ZINC001240650033 968621799 /nfs/dbraw/zinc/62/17/99/968621799.db2.gz CQNFICSNNLLOEV-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@@H](F)CC2)cc1C#N ZINC001207102608 968628203 /nfs/dbraw/zinc/62/82/03/968628203.db2.gz CJSGYPPQSFRLIP-GFCCVEGCSA-N 1 0 235.306 2.221 20 30 BEEDRO Cn1cc(C[NH+]2CCC3(CC3)CC2)cc1C#N ZINC001207102830 968631525 /nfs/dbraw/zinc/63/15/25/968631525.db2.gz HVDWRTMSSGHATD-UHFFFAOYSA-N 1 0 229.327 2.273 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cc1C#N ZINC001207106310 968634922 /nfs/dbraw/zinc/63/49/22/968634922.db2.gz JJADDRQVOVIDEZ-LBPRGKRZSA-N 1 0 242.326 2.022 20 30 BEEDRO N#CCC[N@@H+](Cc1cc[nH]c(=O)c1)C1CCCC1 ZINC001207122354 968642943 /nfs/dbraw/zinc/64/29/43/968642943.db2.gz LIFSKEIQGBUKHR-UHFFFAOYSA-N 1 0 245.326 2.445 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]c(=O)c1 ZINC001207124161 968643088 /nfs/dbraw/zinc/64/30/88/968643088.db2.gz QQEGKCVIBSDVNI-XYYAHUGASA-N 1 0 243.310 2.054 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C1CCC(CC)CC1 ZINC001252482996 968737288 /nfs/dbraw/zinc/73/72/88/968737288.db2.gz PTWGGFJOVPKVGK-JXQTWKCFSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001252482701 968738575 /nfs/dbraw/zinc/73/85/75/968738575.db2.gz NSLWUUXLLDONEB-UKRRQHHQSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001252482702 968739416 /nfs/dbraw/zinc/73/94/16/968739416.db2.gz NSLWUUXLLDONEB-ZFWWWQNUSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C(C)c1ccc(N2CC[C@H]([NH+](C)C)C2)nc1 ZINC001240837240 968756891 /nfs/dbraw/zinc/75/68/91/968756891.db2.gz ADSYIKKECAUWSG-ZDUSSCGKSA-N 1 0 231.343 2.255 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccccc1C ZINC001252538633 968773591 /nfs/dbraw/zinc/77/35/91/968773591.db2.gz JVXPXOWVJRJROW-ZDUSSCGKSA-N 1 0 205.301 2.022 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1c1cccnc1 ZINC001252541963 968774729 /nfs/dbraw/zinc/77/47/29/968774729.db2.gz XQVVOCFBWLOICI-KBPBESRZSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1cc(C)ccc1C ZINC001252541445 968775916 /nfs/dbraw/zinc/77/59/16/968775916.db2.gz LSRZECDHVQSTIT-HNNXBMFYSA-N 1 0 233.355 2.373 20 30 BEEDRO C=C[C@](C)(O)CNc1[nH+]c(C)ccc1C ZINC001252544017 968780647 /nfs/dbraw/zinc/78/06/47/968780647.db2.gz XTTFMGGFHMBLPL-LBPRGKRZSA-N 1 0 206.289 2.047 20 30 BEEDRO Cc1cc(C#N)cnc1C=C1CC[NH2+]CC1 ZINC001240873968 968787059 /nfs/dbraw/zinc/78/70/59/968787059.db2.gz NMQCMKSPZKCIPM-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO O/N=C/c1ccc(C=C2CC[NH2+]CC2)cc1F ZINC001240877628 968787570 /nfs/dbraw/zinc/78/75/70/968787570.db2.gz KLURLRVFRWQHNX-CXUHLZMHSA-N 1 0 234.274 2.401 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001252550928 968790726 /nfs/dbraw/zinc/79/07/26/968790726.db2.gz RLCYEFSIXCJYLX-XQQFMLRXSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001329522467 968793059 /nfs/dbraw/zinc/79/30/59/968793059.db2.gz HHELQYKZQHFPHK-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCCc2ccccc2C1 ZINC001252554505 968794987 /nfs/dbraw/zinc/79/49/87/968794987.db2.gz HXQPACZVIJOPCJ-OAHLLOKOSA-N 1 0 231.339 2.372 20 30 BEEDRO CCCCN(CC#N)CCC1CC[NH+](C)CC1 ZINC001207487116 968797705 /nfs/dbraw/zinc/79/77/05/968797705.db2.gz QIJHNMWKHFIPLP-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001252556245 968799724 /nfs/dbraw/zinc/79/97/24/968799724.db2.gz FJYREZINKLMUBK-MGPQQGTHSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001252559018 968804326 /nfs/dbraw/zinc/80/43/26/968804326.db2.gz QMHBVKDJOMVMNE-AWEZNQCLSA-N 1 0 235.302 2.121 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2cccnc2)CC1 ZINC001252559562 968804339 /nfs/dbraw/zinc/80/43/39/968804339.db2.gz YVLYTYXXZZMCQI-OAHLLOKOSA-N 1 0 246.354 2.198 20 30 BEEDRO C#CC[N@H+](C)CCCc1ccccc1F ZINC001207495198 968805404 /nfs/dbraw/zinc/80/54/04/968805404.db2.gz USQOIPYUQYKPIX-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO N#CCC1C[NH+](CCc2ccc(F)cc2)C1 ZINC001207511885 968809628 /nfs/dbraw/zinc/80/96/28/968809628.db2.gz SZTDUYDAKMUUSR-UHFFFAOYSA-N 1 0 218.275 2.214 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1cccc(Cl)c1 ZINC001252570823 968819910 /nfs/dbraw/zinc/81/99/10/968819910.db2.gz BVCJABXHXPSASG-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC1(F)CCCCC1 ZINC001252569415 968820465 /nfs/dbraw/zinc/82/04/65/968820465.db2.gz RQCPHJNATZXUQY-NSHDSACASA-N 1 0 215.312 2.185 20 30 BEEDRO COc1cccc(CCC[NH+]2CC(CC#N)C2)c1 ZINC001207554823 968820973 /nfs/dbraw/zinc/82/09/73/968820973.db2.gz OEPKULIPBDGBQX-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)/C(C)=C/CC)C1 ZINC001207569580 968821032 /nfs/dbraw/zinc/82/10/32/968821032.db2.gz IWTSBZCIASIKCK-WHGQRRHOSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCCOC1 ZINC000829179987 968822309 /nfs/dbraw/zinc/82/23/09/968822309.db2.gz QPABKMLYRUPXQN-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCN(C)c1ccccc1 ZINC001252573169 968822514 /nfs/dbraw/zinc/82/25/14/968822514.db2.gz ZXOGMZMUHIKLAU-OAHLLOKOSA-N 1 0 248.370 2.040 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1F ZINC001252572928 968822565 /nfs/dbraw/zinc/82/25/65/968822565.db2.gz WMCXHIYHKOOWHT-GXFFZTMASA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(OCC)cc1 ZINC001252572145 968822613 /nfs/dbraw/zinc/82/26/13/968822613.db2.gz NEMKRVLCVNATAR-CQSZACIVSA-N 1 0 235.327 2.112 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCOCC1 ZINC000829179534 968822796 /nfs/dbraw/zinc/82/27/96/968822796.db2.gz NDENNGPKLILVGC-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(C)ccc1C ZINC001252571673 968822935 /nfs/dbraw/zinc/82/29/35/968822935.db2.gz JCWVJARAELKSAM-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1c(C)cc(F)cc1C ZINC001252574648 968825965 /nfs/dbraw/zinc/82/59/65/968825965.db2.gz OQJDYXCALDTECG-AWEZNQCLSA-N 1 0 237.318 2.469 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCC1=CCCCC1 ZINC001252576821 968827036 /nfs/dbraw/zinc/82/70/36/968827036.db2.gz OTGKRDKWNIHLJY-ZDUSSCGKSA-N 1 0 209.333 2.404 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC1(CC2CCC2)CC1 ZINC001252578103 968829563 /nfs/dbraw/zinc/82/95/63/968829563.db2.gz BNOBGSZLKKMARM-ZDUSSCGKSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCOCc1ccccc1 ZINC001252577261 968829910 /nfs/dbraw/zinc/82/99/10/968829910.db2.gz XCPSIMVTHJLOSB-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001252580148 968832379 /nfs/dbraw/zinc/83/23/79/968832379.db2.gz BEQXEPBMFNTRBM-OAHLLOKOSA-N 1 0 244.338 2.237 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(F)cc1F ZINC001252582231 968835649 /nfs/dbraw/zinc/83/56/49/968835649.db2.gz PIYLHOFXCMVORS-CYBMUJFWSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)Cc1cccnc1 ZINC001252583906 968838583 /nfs/dbraw/zinc/83/85/83/968838583.db2.gz VSVJSIIKPZFTBW-HNNXBMFYSA-N 1 0 248.370 2.177 20 30 BEEDRO C=CCN1CC[NH+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207626289 968839528 /nfs/dbraw/zinc/83/95/28/968839528.db2.gz DKCHOUVHBHRUEV-ZNMIVQPWSA-N 1 0 232.371 2.002 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1CCc2ccccc2CC1 ZINC001252585738 968840367 /nfs/dbraw/zinc/84/03/67/968840367.db2.gz SOMNVUVNEFXUSP-MRXNPFEDSA-N 1 0 245.366 2.461 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207627520 968840584 /nfs/dbraw/zinc/84/05/84/968840584.db2.gz AFPSNHUHNBSGTH-RFQIPJPRSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(C)c1 ZINC001252587040 968842967 /nfs/dbraw/zinc/84/29/67/968842967.db2.gz OPONNNWNOWVMKS-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]([NH2+]CC(C)C)C1 ZINC001207628675 968845298 /nfs/dbraw/zinc/84/52/98/968845298.db2.gz JVNJNQGXLKBQET-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC001252589775 968846188 /nfs/dbraw/zinc/84/61/88/968846188.db2.gz QVEUFXCMNLKVKB-NSHDSACASA-N 1 0 233.302 2.481 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CCC1 ZINC001207639084 968854737 /nfs/dbraw/zinc/85/47/37/968854737.db2.gz MOOKMMGASIGKNM-GXTWGEPZSA-N 1 0 243.354 2.059 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)CC12CC2 ZINC001252602716 968860741 /nfs/dbraw/zinc/86/07/41/968860741.db2.gz WDFVZSGIMKGLKU-NEPJUHHUSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCOCCCC ZINC001252616213 968874754 /nfs/dbraw/zinc/87/47/54/968874754.db2.gz LTMTZDFMNQYSIV-CYBMUJFWSA-N 1 0 229.364 2.110 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(Cl)cn1 ZINC001252615848 968874853 /nfs/dbraw/zinc/87/48/53/968874853.db2.gz HBPDHMLOMHVOCD-LBPRGKRZSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(F)c1F ZINC001252615881 968875753 /nfs/dbraw/zinc/87/57/53/968875753.db2.gz HXBFJEOSYBETEV-LLVKDONJSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001252616432 968875891 /nfs/dbraw/zinc/87/58/91/968875891.db2.gz OXFRJPXPBXTQDT-CVEARBPZSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)C(=O)CCCC ZINC001252618530 968876863 /nfs/dbraw/zinc/87/68/63/968876863.db2.gz WYIYTAHRJNHBGF-NWDGAFQWSA-N 1 0 227.348 2.051 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1ccncc1 ZINC001252618023 968878638 /nfs/dbraw/zinc/87/86/38/968878638.db2.gz CBWVTDMKTUVBME-CYBMUJFWSA-N 1 0 234.343 2.233 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001252619084 968880520 /nfs/dbraw/zinc/88/05/20/968880520.db2.gz JBGCLLUVXDAGTA-LLVKDONJSA-N 1 0 245.313 2.481 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc2ocnc2c1 ZINC001252620207 968880778 /nfs/dbraw/zinc/88/07/78/968880778.db2.gz KANVLEHYOZEYHF-GFCCVEGCSA-N 1 0 246.310 2.245 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(C#N)CCOCC1 ZINC001207773515 968882121 /nfs/dbraw/zinc/88/21/21/968882121.db2.gz FGYOZURBVZLIKP-GFCCVEGCSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cn(C2CCC2)cn1 ZINC001252622571 968882381 /nfs/dbraw/zinc/88/23/81/968882381.db2.gz WVAJMOJXMBCUBI-CQSZACIVSA-N 1 0 249.358 2.025 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC001252621557 968882410 /nfs/dbraw/zinc/88/24/10/968882410.db2.gz DYAACXAKWZOVEO-CHWSQXEVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1(CC)CCOCC1 ZINC001252623058 968882550 /nfs/dbraw/zinc/88/25/50/968882550.db2.gz CCUVFLUIEACIOI-ZDUSSCGKSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1COCc2ccccc21 ZINC001252621082 968883439 /nfs/dbraw/zinc/88/34/39/968883439.db2.gz VYIWMNMSJVNLLH-ZFWWWQNUSA-N 1 0 247.338 2.175 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)CC1CC1 ZINC001252621422 968883956 /nfs/dbraw/zinc/88/39/56/968883956.db2.gz BLRXGLGMOVAPIN-LBPRGKRZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)Cc1cccnc1 ZINC001252623323 968884150 /nfs/dbraw/zinc/88/41/50/968884150.db2.gz JACVHZCUVKNLRO-CQSZACIVSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCc2cc(C)ncc21 ZINC001252622354 968884265 /nfs/dbraw/zinc/88/42/65/968884265.db2.gz SQAWHJPCRYKXQL-HIFRSBDPSA-N 1 0 246.354 2.294 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)c1cc[nH]c1 ZINC001273389507 968909471 /nfs/dbraw/zinc/90/94/71/968909471.db2.gz NBGAPFYKQVBLIH-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C=C[C@@H]([NH2+]C[C@H](O)COC(C)C)c1ccccc1 ZINC001252700529 968922376 /nfs/dbraw/zinc/92/23/76/968922376.db2.gz QLGYOFDGTYUSQQ-LSDHHAIUSA-N 1 0 249.354 2.289 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H](C)CC)C1 ZINC001207915212 968926700 /nfs/dbraw/zinc/92/67/00/968926700.db2.gz UYUIMXABGJQGGC-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2CC=CC2)C1 ZINC001086050184 968928270 /nfs/dbraw/zinc/92/82/70/968928270.db2.gz JGISOJGKSLUJLZ-XBXGTLAGSA-N 1 0 248.370 2.013 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@H](O)CCC ZINC001252784403 968961844 /nfs/dbraw/zinc/96/18/44/968961844.db2.gz ZEIJRAIQVOHABK-GFCCVEGCSA-N 1 0 212.337 2.163 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001207985878 968968397 /nfs/dbraw/zinc/96/83/97/968968397.db2.gz AZTFZHLGGDQOGW-KXXVWKPMSA-N 1 0 236.359 2.109 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001252802323 968987498 /nfs/dbraw/zinc/98/74/98/968987498.db2.gz HVZZENNOLSHXEC-SWLSCSKDSA-N 1 0 244.338 2.296 20 30 BEEDRO COc1cc(C#N)ccc1-c1cccc(C[NH3+])n1 ZINC001241387943 968991703 /nfs/dbraw/zinc/99/17/03/968991703.db2.gz NLEXCXJGTKJUQB-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO CC(C)(S)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC001253118406 969090943 /nfs/dbraw/zinc/09/09/43/969090943.db2.gz NCBGLVSAOAUKHA-CYBMUJFWSA-N 1 0 239.384 2.192 20 30 BEEDRO C=CCCCCCC[C@H](O)C[N@@H+](C)CC(C)=O ZINC001253233795 969120279 /nfs/dbraw/zinc/12/02/79/969120279.db2.gz NQFVRIYYXSTJJR-AWEZNQCLSA-N 1 0 241.375 2.395 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC001253256274 969123091 /nfs/dbraw/zinc/12/30/91/969123091.db2.gz UISJJPSVQLBXMH-UONOGXRCSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H](C=C)CO ZINC001253251140 969124870 /nfs/dbraw/zinc/12/48/70/969124870.db2.gz GWBVAKKAQPSWIW-KBPBESRZSA-N 1 0 241.375 2.010 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001208245228 969130094 /nfs/dbraw/zinc/13/00/94/969130094.db2.gz CVVMARDTMGEQNE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]CCCC[C@H](C)NC(=O)C(F)F ZINC001168779262 969189648 /nfs/dbraw/zinc/18/96/48/969189648.db2.gz WURGIQBLIVEXBD-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)CCCCC)C1 ZINC001253535135 969208783 /nfs/dbraw/zinc/20/87/83/969208783.db2.gz HUMOAWJYWJVBCL-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO CC#CC[NH2+]CCCC[C@@H](C)NC(=O)CCC ZINC001168821135 969225134 /nfs/dbraw/zinc/22/51/34/969225134.db2.gz LJZODXREVWNYDX-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(C#N)cc2)CC1 ZINC001208837503 969248272 /nfs/dbraw/zinc/24/82/72/969248272.db2.gz KBXITFMBYRIJCT-UHFFFAOYSA-N 1 0 213.284 2.190 20 30 BEEDRO Cc1cc(C#N)ccc1NC1=CC[N@H+](C)CC1 ZINC001208839270 969249263 /nfs/dbraw/zinc/24/92/63/969249263.db2.gz ZPUUBHRVKVAFNA-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO CC[N@H+](CCCc1cccc(C#N)c1)CCOC ZINC001208844999 969254223 /nfs/dbraw/zinc/25/42/23/969254223.db2.gz NDKOCKRFVBZOER-UHFFFAOYSA-N 1 0 246.354 2.459 20 30 BEEDRO COc1ccc(C#N)c(NC2=CC[N@H+](C)CC2)c1 ZINC001208856581 969255710 /nfs/dbraw/zinc/25/57/10/969255710.db2.gz GSICHGZRALEYKS-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C[N@H+](CCCc1cccc(C#N)c1)CC1COC1 ZINC001208853054 969256371 /nfs/dbraw/zinc/25/63/71/969256371.db2.gz AYYYRSKZTQAOQM-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1cccc2cccnc21 ZINC001253579155 969256353 /nfs/dbraw/zinc/25/63/53/969256353.db2.gz NBODKEAUYMALQG-CQSZACIVSA-N 1 0 242.322 2.214 20 30 BEEDRO N#Cc1cccc(CCC[NH+]2CC=CC2)c1 ZINC001208845741 969256638 /nfs/dbraw/zinc/25/66/38/969256638.db2.gz RZIXDCKSSBOEGB-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1cccc2cccnc21 ZINC001253579154 969258814 /nfs/dbraw/zinc/25/88/14/969258814.db2.gz NBODKEAUYMALQG-AWEZNQCLSA-N 1 0 242.322 2.214 20 30 BEEDRO C=C[C@H](O)C[N@H+](C)CCc1cccc(Cl)c1 ZINC001253579927 969258958 /nfs/dbraw/zinc/25/89/58/969258958.db2.gz VFYTWWXZWFTRGV-ZDUSSCGKSA-N 1 0 239.746 2.361 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208864312 969260360 /nfs/dbraw/zinc/26/03/60/969260360.db2.gz OZKCJMGDNCSXDE-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@H](O)CN(CC(=O)c1ccccc1)C(C)C ZINC001253583582 969260879 /nfs/dbraw/zinc/26/08/79/969260879.db2.gz HJQAJYSXNQEQLK-AWEZNQCLSA-N 1 0 247.338 2.127 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001253582293 969261891 /nfs/dbraw/zinc/26/18/91/969261891.db2.gz NCGVFWWARFEWKP-GHMZBOCLSA-N 1 0 223.341 2.432 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC001253582636 969264090 /nfs/dbraw/zinc/26/40/90/969264090.db2.gz RJYINUMIUKIMOI-LSDHHAIUSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC001253584607 969264145 /nfs/dbraw/zinc/26/41/45/969264145.db2.gz ONAASFGJPMDQAN-JSGCOSHPSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001253589825 969277230 /nfs/dbraw/zinc/27/72/30/969277230.db2.gz QSOAKXCSVXTTTP-HUUCEWRRSA-N 1 0 249.329 2.380 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC001253597242 969289367 /nfs/dbraw/zinc/28/93/67/969289367.db2.gz CBQLIOKTGNJSRE-YPMHNXCESA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1c[nH]c2ccc(C)cc12 ZINC001253598151 969290501 /nfs/dbraw/zinc/29/05/01/969290501.db2.gz PEZNMKNOQPNALN-ZDUSSCGKSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(F)ccc(C)c1Cl ZINC001253598772 969290760 /nfs/dbraw/zinc/29/07/60/969290760.db2.gz XWPMDOSVEOSCAE-VIFPVBQESA-N 1 0 243.709 2.424 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(F)ccc(Cl)c1F ZINC001253598224 969291022 /nfs/dbraw/zinc/29/10/22/969291022.db2.gz QLESYPWETSIHMP-SSDOTTSWSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)COc1cc(C)cc(C)c1 ZINC001253598998 969291598 /nfs/dbraw/zinc/29/15/98/969291598.db2.gz CSUSUISVYPOWRT-ZIAGYGMSSA-N 1 0 249.354 2.207 20 30 BEEDRO C[C@H](CN1CC[C@@H](C#N)C1)C(F)(F)F ZINC001208905341 969295439 /nfs/dbraw/zinc/29/54/39/969295439.db2.gz NOCHKKTVKOUYCE-SFYZADRCSA-N 1 0 206.211 2.030 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC001253602121 969296516 /nfs/dbraw/zinc/29/65/16/969296516.db2.gz CLIHSNOWJNUERH-JSGCOSHPSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccccc2Cl)CC1 ZINC001253601192 969297621 /nfs/dbraw/zinc/29/76/21/969297621.db2.gz MCGFJSOLHYLMTB-SNVBAGLBSA-N 1 0 237.730 2.466 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC001253602672 969298853 /nfs/dbraw/zinc/29/88/53/969298853.db2.gz LBFQKYABIAJXSK-SUNKGSAMSA-N 1 0 217.312 2.371 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001253604111 969301490 /nfs/dbraw/zinc/30/14/90/969301490.db2.gz GBEJUJIMRHUWPD-ZANVPECISA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001253606271 969301698 /nfs/dbraw/zinc/30/16/98/969301698.db2.gz DTMAKTIQXPBFDE-QMTHXVAHSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001253605083 969302949 /nfs/dbraw/zinc/30/29/49/969302949.db2.gz OZZXUDGWJDMELD-GWCFXTLKSA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC001253607283 969304065 /nfs/dbraw/zinc/30/40/65/969304065.db2.gz UFJFVRZSYDVFEZ-NSHDSACASA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001253606300 969304878 /nfs/dbraw/zinc/30/48/78/969304878.db2.gz FJRSERFPLPAVIB-CQSZACIVSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1ccccc1OC ZINC001253608352 969307514 /nfs/dbraw/zinc/30/75/14/969307514.db2.gz BCUKXQIVMMGCNE-ZDUSSCGKSA-N 1 0 249.354 2.153 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208927697 969309339 /nfs/dbraw/zinc/30/93/39/969309339.db2.gz CMMGENKUOINLNM-HNNXBMFYSA-N 1 0 242.322 2.154 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccccc2F)CC1 ZINC001253610041 969309577 /nfs/dbraw/zinc/30/95/77/969309577.db2.gz POPHHDWAQFURFS-ZDUSSCGKSA-N 1 0 249.329 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1c[nH]c2ccccc21 ZINC001253611867 969312281 /nfs/dbraw/zinc/31/22/81/969312281.db2.gz UTSZROJRHTYGMT-QWRGUYRKSA-N 1 0 230.311 2.365 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001253611469 969313967 /nfs/dbraw/zinc/31/39/67/969313967.db2.gz PYSFPMKHPYLTFC-RWMBFGLXSA-N 1 0 237.730 2.332 20 30 BEEDRO C#Cc1ccc(NC2=CC[N@H+](C)CC2)cc1F ZINC001208978323 969315833 /nfs/dbraw/zinc/31/58/33/969315833.db2.gz BAPTYORMACKNDX-UHFFFAOYSA-N 1 0 230.286 2.438 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987035 969342727 /nfs/dbraw/zinc/34/27/27/969342727.db2.gz HEOYFTHVHYNXRO-RYUDHWBXSA-N 1 0 238.331 2.071 20 30 BEEDRO C=CCc1cc(C)cnc1-n1c(C)cnc1C[NH3+] ZINC001169027336 969345780 /nfs/dbraw/zinc/34/57/80/969345780.db2.gz BAKJNTAJLOMKLC-UHFFFAOYSA-N 1 0 242.326 2.071 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@](C)(CO)CC1 ZINC001209157100 969358794 /nfs/dbraw/zinc/35/87/94/969358794.db2.gz OAOFGKIIDXQXMV-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036663 969358967 /nfs/dbraw/zinc/35/89/67/969358967.db2.gz PNVRXDPKZDYMAY-NWDGAFQWSA-N 1 0 239.319 2.057 20 30 BEEDRO C=CCCC[N@H+]1CC(C)(C)C[C@@]1(C)CO ZINC001209156928 969359049 /nfs/dbraw/zinc/35/90/49/969359049.db2.gz KNJNGNBTWUHCSN-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[NH+]1CC2(C1)C[C@H](F)CS2 ZINC001209162650 969362962 /nfs/dbraw/zinc/36/29/62/969362962.db2.gz KBLJCJJGGWHXAF-JTQLQIEISA-N 1 0 215.337 2.482 20 30 BEEDRO C=CCCC[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC001209163971 969366005 /nfs/dbraw/zinc/36/60/05/969366005.db2.gz PTPBSWNWIIRMIU-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC[N@H+]1CCN(C(C)C)[C@@H](C)C1 ZINC001209164594 969366067 /nfs/dbraw/zinc/36/60/67/969366067.db2.gz FBHDGZCJVGVPQR-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001209182386 969373845 /nfs/dbraw/zinc/37/38/45/969373845.db2.gz DAODRVOYBMGDAE-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001209182388 969375255 /nfs/dbraw/zinc/37/52/55/969375255.db2.gz DAODRVOYBMGDAE-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@@H](O)C(C)C ZINC001253759692 969380647 /nfs/dbraw/zinc/38/06/47/969380647.db2.gz GEKJLTKPLRDZQY-GFCCVEGCSA-N 1 0 212.337 2.019 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](C(=O)N(C)C)C1 ZINC001209202411 969388847 /nfs/dbraw/zinc/38/88/47/969388847.db2.gz GNEVPAVRZJWQGZ-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC[N@@H+](C)C1CCN(C)CC1 ZINC001209201968 969390408 /nfs/dbraw/zinc/39/04/08/969390408.db2.gz SVNJHQUNYRRESV-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCC[NH+]1CCC(N2CC(F)C2)CC1 ZINC001209205035 969392801 /nfs/dbraw/zinc/39/28/01/969392801.db2.gz PGIIYMFZGXMBNE-UHFFFAOYSA-N 1 0 240.366 2.461 20 30 BEEDRO C=CCCCC[NH+]1CCC(c2nncn2C)CC1 ZINC001209204378 969395009 /nfs/dbraw/zinc/39/50/09/969395009.db2.gz CWEGJDKKWMCQTE-UHFFFAOYSA-N 1 0 248.374 2.351 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001209208341 969396520 /nfs/dbraw/zinc/39/65/20/969396520.db2.gz RDAJYDYRSKHIHV-ZDUSSCGKSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](CC(=O)OC)C1 ZINC001209208307 969397738 /nfs/dbraw/zinc/39/77/38/969397738.db2.gz PYTQZBRIRZHBCG-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO N#CCC1C[NH+](CCc2cccs2)C1 ZINC001209223809 969407207 /nfs/dbraw/zinc/40/72/07/969407207.db2.gz PAHHNXCUCXSTRB-UHFFFAOYSA-N 1 0 206.314 2.136 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+]CCCCCCS ZINC001253790993 969411187 /nfs/dbraw/zinc/41/11/87/969411187.db2.gz ZXGOVSKYTSAGDD-NSHDSACASA-N 1 0 219.394 2.083 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc(C)nc1 ZINC001209267883 969420047 /nfs/dbraw/zinc/42/00/47/969420047.db2.gz NMTMVZLIWRHNSQ-UHFFFAOYSA-N 1 0 202.301 2.235 20 30 BEEDRO C#CCCC[NH+]1CCC2(CCCOC2)CC1 ZINC001209268985 969420066 /nfs/dbraw/zinc/42/00/66/969420066.db2.gz CLYNIJUXWHXRIA-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CC[NH2+]CCCC[C@H](C)NC(=O)CCCC ZINC001169217671 969489341 /nfs/dbraw/zinc/48/93/41/969489341.db2.gz WRNLSIOPWRBNNF-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CC(N[C@H]1CCCC(F)(F)C1)=[NH+]COC ZINC001169214562 969490096 /nfs/dbraw/zinc/49/00/96/969490096.db2.gz FGWRNZXILWZJJX-VIFPVBQESA-N 1 0 232.274 2.342 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001209423583 969491509 /nfs/dbraw/zinc/49/15/09/969491509.db2.gz SWLBMDFHEXOPAD-NEPJUHHUSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](F)C[C@H](CO)C1 ZINC001209423193 969494481 /nfs/dbraw/zinc/49/44/81/969494481.db2.gz JCVJTAFUTCSWJV-QWHCGFSZSA-N 1 0 229.339 2.385 20 30 BEEDRO C=CCCCCC[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001209428813 969495305 /nfs/dbraw/zinc/49/53/05/969495305.db2.gz NDFYBLGLMMTBPT-ZDUSSCGKSA-N 1 0 240.366 2.461 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN(C(C)=O)[C@H](C)C1 ZINC001209433467 969500852 /nfs/dbraw/zinc/50/08/52/969500852.db2.gz XZNQHOYVGZFUPD-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCCC[N@H+]1CC[C@H](CO)C1 ZINC001209436531 969506197 /nfs/dbraw/zinc/50/61/97/969506197.db2.gz TZJBDXVKYXBJFG-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCCCCCC[N@H+]1CC[C@@H](C(N)=O)C1 ZINC001209439377 969515397 /nfs/dbraw/zinc/51/53/97/969515397.db2.gz NSMKKSUHYDPZOZ-CYBMUJFWSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCC[NH2+]CCCC[C@H](C)NC(=O)C(C)C ZINC001169236582 969525799 /nfs/dbraw/zinc/52/57/99/969525799.db2.gz LTAJFDQCYJLFGD-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO CCCCCCCc1cn([C@@H](C)C[NH3+])nn1 ZINC001254162188 969531645 /nfs/dbraw/zinc/53/16/45/969531645.db2.gz CZUDBDZVXBIJFA-NSHDSACASA-N 1 0 224.352 2.311 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](C)CC ZINC001169248937 969540802 /nfs/dbraw/zinc/54/08/02/969540802.db2.gz XVKKBVWDGRQAPT-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC[NH+](CC#C)C1CCC(F)(F)CC1 ZINC001254226170 969547494 /nfs/dbraw/zinc/54/74/94/969547494.db2.gz VRBVGPMCLYTLBD-UHFFFAOYSA-N 1 0 211.255 2.133 20 30 BEEDRO Cc1ccnc(CC[NH2+]C#C[Si](C)(C)C)c1 ZINC001169315257 969562000 /nfs/dbraw/zinc/56/20/00/969562000.db2.gz KJIYFBUAPOYXGB-UHFFFAOYSA-N 1 0 232.403 2.360 20 30 BEEDRO Cc1[nH]c2ncccc2c1C[NH+]1CC(CC#N)C1 ZINC001209587205 969566533 /nfs/dbraw/zinc/56/65/33/969566533.db2.gz NKWXGKVTVGCNBB-UHFFFAOYSA-N 1 0 240.310 2.217 20 30 BEEDRO N#Cc1ccc(C2([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC001254365691 969578171 /nfs/dbraw/zinc/57/81/71/969578171.db2.gz JTHZMIVSNIPURQ-AWEZNQCLSA-N 1 0 242.322 2.316 20 30 BEEDRO Cc1ccc(C(=[NH2+])N[C@@H]2CCCOC2)cc1C ZINC001254373635 969589192 /nfs/dbraw/zinc/58/91/92/969589192.db2.gz DYHDVYUBJYBOJT-CYBMUJFWSA-N 1 0 232.327 2.188 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]nc1-c1ccccc1 ZINC001209763563 969603243 /nfs/dbraw/zinc/60/32/43/969603243.db2.gz GXFAIUKGBZHPPD-UHFFFAOYSA-N 1 0 225.295 2.142 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)CC(C)C ZINC001169400794 969627607 /nfs/dbraw/zinc/62/76/07/969627607.db2.gz NKTCIIBILQBUNX-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO CCC[C@](C)(C#N)N[C@H]1CCC[N@H+](C)CC1 ZINC001254509931 969680645 /nfs/dbraw/zinc/68/06/45/969680645.db2.gz KMEKNQFUWHJUST-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542446 969737542 /nfs/dbraw/zinc/73/75/42/969737542.db2.gz NHRHDAICKHYEET-MNOVXSKESA-N 1 0 232.283 2.137 20 30 BEEDRO C#CCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568346 969740345 /nfs/dbraw/zinc/74/03/45/969740345.db2.gz STOHVEWJAMBRAX-ZDUSSCGKSA-N 1 0 244.294 2.065 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1ccc(C#N)cc1C#N ZINC001209972306 969741281 /nfs/dbraw/zinc/74/12/81/969741281.db2.gz KKVGTPVTFQDFDF-UHFFFAOYSA-N 1 0 249.277 2.459 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572450 969741362 /nfs/dbraw/zinc/74/13/62/969741362.db2.gz NQKDBXDUFFSVOA-GFCCVEGCSA-N 1 0 244.294 2.063 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254643833 969748986 /nfs/dbraw/zinc/74/89/86/969748986.db2.gz RODHFUKAWPTKEB-FVCCEPFGSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254632320 969751093 /nfs/dbraw/zinc/75/10/93/969751093.db2.gz HMIRTVLQVYVINE-NEPJUHHUSA-N 1 0 204.317 2.460 20 30 BEEDRO Cc1cnccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254634452 969751155 /nfs/dbraw/zinc/75/11/55/969751155.db2.gz FIDLJEHZJRBDTI-AAEUAGOBSA-N 1 0 215.300 2.172 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254632322 969751547 /nfs/dbraw/zinc/75/15/47/969751547.db2.gz HMIRTVLQVYVINE-RYUDHWBXSA-N 1 0 204.317 2.460 20 30 BEEDRO CC(C)c1nc(CC[NH2+][C@H]2CC[C@H](C#N)C2)no1 ZINC001254634491 969752029 /nfs/dbraw/zinc/75/20/29/969752029.db2.gz GWNCSGWDKFWTBW-QWRGUYRKSA-N 1 0 248.330 2.017 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1O ZINC001254635855 969754418 /nfs/dbraw/zinc/75/44/18/969754418.db2.gz GBTQETDCDDGHLW-PWSUYJOCSA-N 1 0 246.310 2.183 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccncc2F)C1 ZINC001254635796 969755008 /nfs/dbraw/zinc/75/50/08/969755008.db2.gz IBTZTVFHIYSEOU-MWLCHTKSSA-N 1 0 219.263 2.003 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1C ZINC001254636160 969755048 /nfs/dbraw/zinc/75/50/48/969755048.db2.gz JHZCEWNLRUZVIE-NEPJUHHUSA-N 1 0 217.316 2.115 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001254641959 969755880 /nfs/dbraw/zinc/75/58/80/969755880.db2.gz DKUNDVKQFCHEJX-IEECTRCBSA-N 1 0 204.317 2.457 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001254643199 969759266 /nfs/dbraw/zinc/75/92/66/969759266.db2.gz NFCCUMMLOXTPCW-NWDGAFQWSA-N 1 0 227.311 2.353 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)Cc2ccccc2)C1 ZINC001254644004 969759343 /nfs/dbraw/zinc/75/93/43/969759343.db2.gz PFPVRCYNFPMQIB-UONOGXRCSA-N 1 0 242.322 2.080 20 30 BEEDRO CC(C)n1cnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254646569 969760432 /nfs/dbraw/zinc/76/04/32/969760432.db2.gz BLIVGEHLXZGEFZ-VXGBXAGGSA-N 1 0 232.331 2.246 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001254646446 969760812 /nfs/dbraw/zinc/76/08/12/969760812.db2.gz ATQJPBUGFCQPRT-NEPJUHHUSA-N 1 0 244.342 2.390 20 30 BEEDRO CCCc1cc(C[NH3+])nn1[C@H]1CC[C@H](C#N)C1 ZINC001254646285 969760955 /nfs/dbraw/zinc/76/09/55/969760955.db2.gz MDQGJZYRQMOTRD-GWCFXTLKSA-N 1 0 232.331 2.159 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cs1 ZINC001254646873 969761547 /nfs/dbraw/zinc/76/15/47/969761547.db2.gz CWJXSDGQAQXEKB-MWLCHTKSSA-N 1 0 231.324 2.402 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]COc2ccccc2)C1 ZINC001254647547 969762008 /nfs/dbraw/zinc/76/20/08/969762008.db2.gz UKTRIBVRIXWYBH-NEPJUHHUSA-N 1 0 216.284 2.305 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]COc2ccccc2)C1 ZINC001254647553 969762583 /nfs/dbraw/zinc/76/25/83/969762583.db2.gz UKTRIBVRIXWYBH-VXGBXAGGSA-N 1 0 216.284 2.305 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001254650100 969763290 /nfs/dbraw/zinc/76/32/90/969763290.db2.gz XKJNXWLFHDQIKZ-CHWSQXEVSA-N 1 0 244.342 2.075 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001254650600 969763743 /nfs/dbraw/zinc/76/37/43/969763743.db2.gz WAGALAZTNNPXJJ-KKUMJFAQSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CCC1([NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC001254654590 969765012 /nfs/dbraw/zinc/76/50/12/969765012.db2.gz WCZUIERCDOVABV-RYUDHWBXSA-N 1 0 217.316 2.495 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001254655463 969765403 /nfs/dbraw/zinc/76/54/03/969765403.db2.gz DKUNDVKQFCHEJX-NAWOPXAZSA-N 1 0 204.317 2.457 20 30 BEEDRO C[N@H+](Cc1ccncc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254659559 969769334 /nfs/dbraw/zinc/76/93/34/969769334.db2.gz AXQNEWRYMLRQST-CHWSQXEVSA-N 1 0 215.300 2.206 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCC[C@]1(C)O ZINC001254660134 969771678 /nfs/dbraw/zinc/77/16/78/969771678.db2.gz GFZOQSHOTJVTCA-RQJABVFESA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@]3(C2)CCCCO3)C1 ZINC001254661783 969773729 /nfs/dbraw/zinc/77/37/29/969773729.db2.gz YCUIIOZJSMUXLY-MCIONIFRSA-N 1 0 234.343 2.324 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cnccn2)C1 ZINC001254667244 969774169 /nfs/dbraw/zinc/77/41/69/969774169.db2.gz BMEJUEMXAQOUNA-DYEKYZERSA-N 1 0 242.326 2.306 20 30 BEEDRO CCN(CC[NH+](CC)CC)[C@H]1CC[C@@H](C#N)C1 ZINC001254668160 969774457 /nfs/dbraw/zinc/77/44/57/969774457.db2.gz GMUKDNWKEFUKQC-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C1 ZINC001254668534 969774646 /nfs/dbraw/zinc/77/46/46/969774646.db2.gz GJQOLBRZJARANM-MXWKQRLJSA-N 1 0 240.347 2.208 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001254667917 969775316 /nfs/dbraw/zinc/77/53/16/969775316.db2.gz FARYWXFUCJYNMI-YPMHNXCESA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(S)CC2)C1 ZINC001254671226 969777771 /nfs/dbraw/zinc/77/77/71/969777771.db2.gz PYGVXNWCZNTKOW-VHSXEESVSA-N 1 0 210.346 2.073 20 30 BEEDRO CN1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)C2(CCCC2)C1 ZINC001254674652 969781059 /nfs/dbraw/zinc/78/10/59/969781059.db2.gz BFUIEVNQRCFXFQ-ZIAGYGMSSA-N 1 0 247.386 2.239 20 30 BEEDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC001254678465 969784450 /nfs/dbraw/zinc/78/44/50/969784450.db2.gz FCXBRNOZOHXUCR-FDYHWXHSSA-N 1 0 222.332 2.178 20 30 BEEDRO N#CC1(N[C@H]2CC3CC[NH+](CC3)C2)CCCCC1 ZINC001254838887 969799703 /nfs/dbraw/zinc/79/97/03/969799703.db2.gz JDEXGDLNJOCXRX-AWEZNQCLSA-N 1 0 247.386 2.287 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(C)c2c(n1)CC[NH2+]C2 ZINC001169690058 969810169 /nfs/dbraw/zinc/81/01/69/969810169.db2.gz RJFPIWBYPWIGNZ-OAHLLOKOSA-N 1 0 243.354 2.250 20 30 BEEDRO N#CCC1CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254862491 969811064 /nfs/dbraw/zinc/81/10/64/969811064.db2.gz LMWVDIGJKOTLKG-HNNXBMFYSA-N 1 0 247.386 2.096 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254863182 969813146 /nfs/dbraw/zinc/81/31/46/969813146.db2.gz ZNSNDPFWELTIPK-OAHLLOKOSA-N 1 0 249.402 2.486 20 30 BEEDRO C#C[C@@](C)(CC)Nc1[nH+]ccc2c1CCN2 ZINC001169692987 969813348 /nfs/dbraw/zinc/81/33/48/969813348.db2.gz RKGKCPUXIKTEJS-ZDUSSCGKSA-N 1 0 215.300 2.263 20 30 BEEDRO N#Cc1c[nH]c2cc(-n3ccc(C[NH3+])c3)ccc12 ZINC001169725661 969817389 /nfs/dbraw/zinc/81/73/89/969817389.db2.gz JBYKOQQNELPBCJ-UHFFFAOYSA-N 1 0 236.278 2.289 20 30 BEEDRO N#Cc1ccc2cc(-n3ccc(C[NH3+])c3)ccc2n1 ZINC001169725347 969818093 /nfs/dbraw/zinc/81/80/93/969818093.db2.gz FALAGTPIJILFJT-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO N#Cc1ccc(-n2ccc(C[NH3+])c2)c2cc[nH]c21 ZINC001169726703 969820554 /nfs/dbraw/zinc/82/05/54/969820554.db2.gz YLXHYPXGLMWDMG-UHFFFAOYSA-N 1 0 236.278 2.289 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)OCC)CC1 ZINC001169704245 969826982 /nfs/dbraw/zinc/82/69/82/969826982.db2.gz UZIIWGYZUHTLBH-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO Cc1cc(Cl)c(C#N)c(-n2ccc(C[NH3+])c2)n1 ZINC001169716390 969829932 /nfs/dbraw/zinc/82/99/32/969829932.db2.gz ILHZIIGGUFQVRW-UHFFFAOYSA-N 1 0 246.701 2.165 20 30 BEEDRO O=C1C[C@H]2C[C@H]([NH+]3CCC(S)CC3)C[C@H]2C1 ZINC001254956253 969840607 /nfs/dbraw/zinc/84/06/07/969840607.db2.gz HNNQYBITIUFLRM-URLYPYJESA-N 1 0 239.384 2.138 20 30 BEEDRO Cc1nc(NC[C@@H]2CCCCO2)ccc1CC#N ZINC001156377871 969849065 /nfs/dbraw/zinc/84/90/65/969849065.db2.gz RJYRSPCNIXIRJH-ZDUSSCGKSA-N 1 0 245.326 2.437 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255026355 969852027 /nfs/dbraw/zinc/85/20/27/969852027.db2.gz VSIREPPNBQWFOV-OAHLLOKOSA-N 1 0 226.323 2.389 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169911830 969883242 /nfs/dbraw/zinc/88/32/42/969883242.db2.gz ATGAMSCQVCRLBV-QWHCGFSZSA-N 1 0 237.343 2.064 20 30 BEEDRO CC1(C)CC(=O)C=C(Nc2cc(C[NH3+])ccn2)C1 ZINC001169952014 969890059 /nfs/dbraw/zinc/89/00/59/969890059.db2.gz YIYVTRWVSNCQAU-UHFFFAOYSA-N 1 0 245.326 2.225 20 30 BEEDRO CC1(C)CC(=O)C=C(Nc2ccnc(C[NH3+])c2)C1 ZINC001169952650 969890200 /nfs/dbraw/zinc/89/02/00/969890200.db2.gz CNEMPZXAYDONER-UHFFFAOYSA-N 1 0 245.326 2.225 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cccnc2C#N)n1 ZINC001242310061 969893284 /nfs/dbraw/zinc/89/32/84/969893284.db2.gz QTGATKIVSCIBHT-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001156599297 969934005 /nfs/dbraw/zinc/93/40/05/969934005.db2.gz ZDCFZOJRAWAZKV-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)(C#N)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001255099907 969935870 /nfs/dbraw/zinc/93/58/70/969935870.db2.gz UGWCPXFBFHIRHU-AWEZNQCLSA-N 1 0 243.354 2.153 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC(C)(C)c1cnccn1 ZINC001255152833 969950165 /nfs/dbraw/zinc/95/01/65/969950165.db2.gz DPNJPZSJVYUSJI-NSHDSACASA-N 1 0 232.331 2.036 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccc2c(c1)OCO2 ZINC001255150576 969952557 /nfs/dbraw/zinc/95/25/57/969952557.db2.gz WONYMXKHRRYVGI-GFCCVEGCSA-N 1 0 246.310 2.240 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@@H](CC)CC#N ZINC001255151996 969955762 /nfs/dbraw/zinc/95/57/62/969955762.db2.gz KMHZANZSKZYGNV-JTQLQIEISA-N 1 0 226.320 2.000 20 30 BEEDRO CC[C@H](CC#N)n1c2ccccc2nc1C[NH3+] ZINC001255152105 969956089 /nfs/dbraw/zinc/95/60/89/969956089.db2.gz MVDIKTWJXWOHQH-SNVBAGLBSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@@H](CC#N)NC(=[NH2+])c1ccc(Cl)nc1 ZINC001255152925 969956857 /nfs/dbraw/zinc/95/68/57/969956857.db2.gz JEERPLORQGPUEL-VIFPVBQESA-N 1 0 236.706 2.342 20 30 BEEDRO CCCC[N@H+](C)CCN[C@@H](CC)CC#N ZINC001255153298 969959804 /nfs/dbraw/zinc/95/98/04/969959804.db2.gz UVQIRGNHVYKIPO-LBPRGKRZSA-N 1 0 211.353 2.000 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1cc(C)ccn1 ZINC001255154623 969961960 /nfs/dbraw/zinc/96/19/60/969961960.db2.gz JOEDWWQUCHXABY-GFCCVEGCSA-N 1 0 217.316 2.214 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC001255160954 969969378 /nfs/dbraw/zinc/96/93/78/969969378.db2.gz SEJAOFIGOIWIOM-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001255165560 969977825 /nfs/dbraw/zinc/97/78/25/969977825.db2.gz YMMCBULIWVLAQI-BFHYXJOUSA-N 1 0 237.391 2.387 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](CC)CC#N)C1 ZINC001255165282 969978313 /nfs/dbraw/zinc/97/83/13/969978313.db2.gz WKOPABPKCJTAGZ-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001255167178 969981193 /nfs/dbraw/zinc/98/11/93/969981193.db2.gz VPJQKGSMFPXCKY-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC(CC#N)CC1 ZINC001255172489 969984460 /nfs/dbraw/zinc/98/44/60/969984460.db2.gz BBOXSRAFIYWMIV-GFCCVEGCSA-N 1 0 205.305 2.304 20 30 BEEDRO CC[C@@H](CC#N)N1CCC([N@H+](C)C2CC2)CC1 ZINC001255176056 969992242 /nfs/dbraw/zinc/99/22/42/969992242.db2.gz VPPJCAYJMUKQLG-LBPRGKRZSA-N 1 0 235.375 2.237 20 30 BEEDRO CCOCC1CC[NH+]([C@@H](CC)CC#N)CC1 ZINC001255175201 969992922 /nfs/dbraw/zinc/99/29/22/969992922.db2.gz NQGDDRAFJGEYTB-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO CCc1cccc(C[NH2+]C[C@@H](C)C#N)c1O ZINC000691468233 969995749 /nfs/dbraw/zinc/99/57/49/969995749.db2.gz SOSVDQSZUCXBBR-JTQLQIEISA-N 1 0 218.300 2.204 20 30 BEEDRO CC[C@@H](CC#N)N1CC[C@H]([N@H+](C)C(C)C)C1 ZINC001255178612 969996289 /nfs/dbraw/zinc/99/62/89/969996289.db2.gz HUEJSNCAUAYBSY-STQMWFEESA-N 1 0 223.364 2.093 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCSC2)CCCCC1 ZINC001255278875 970029963 /nfs/dbraw/zinc/02/99/63/970029963.db2.gz JATWXOPUYNOYBZ-LLVKDONJSA-N 1 0 209.358 2.418 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(C)=O)CCCCC1 ZINC001115375166 970097134 /nfs/dbraw/zinc/09/71/34/970097134.db2.gz NYRYTXDQCLIUDX-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCN1CC[NH+]([C@H](C)CCCC)CC1 ZINC001255328010 970107067 /nfs/dbraw/zinc/10/70/67/970107067.db2.gz FGURBMMITNRAGT-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)C=C(C)C)CC1 ZINC001112600508 970108706 /nfs/dbraw/zinc/10/87/06/970108706.db2.gz BJYUQEJCVUKURZ-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO CN(c1cc(C#N)cc2[nH]ccc21)C(C)(C)C[NH3+] ZINC001170059554 970110930 /nfs/dbraw/zinc/11/09/30/970110930.db2.gz LJUVQOHLVWCPIZ-UHFFFAOYSA-N 1 0 242.326 2.213 20 30 BEEDRO CN(c1ccc(CS)cc1)C(C)(C)C[NH3+] ZINC001170059266 970112272 /nfs/dbraw/zinc/11/22/72/970112272.db2.gz DVOIHGBOFNETBE-UHFFFAOYSA-N 1 0 224.373 2.290 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@H](C)CC ZINC001157141122 970114517 /nfs/dbraw/zinc/11/45/17/970114517.db2.gz PBMZCMDEWSWJPW-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255373410 970119108 /nfs/dbraw/zinc/11/91/08/970119108.db2.gz PORWCHZOVWMSTQ-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)/C(C)=C\C ZINC001170066157 970136788 /nfs/dbraw/zinc/13/67/88/970136788.db2.gz FMWTWYFCMDBFBA-TZQNSNDFSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)/C(C)=C/CC)CC1 ZINC001112664607 970137949 /nfs/dbraw/zinc/13/79/49/970137949.db2.gz LNMYQHHAPXGGED-NTUHNPAUSA-N 1 0 236.359 2.063 20 30 BEEDRO CC[C@H](C)Nc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001157230001 970159020 /nfs/dbraw/zinc/15/90/20/970159020.db2.gz GHZRNUZSGPNBFN-JTQLQIEISA-N 1 0 244.342 2.199 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2oc(C)nc2C#N)c1 ZINC001211137527 970159488 /nfs/dbraw/zinc/15/94/88/970159488.db2.gz BADODCGUHSBZBG-UHFFFAOYSA-N 1 0 242.282 2.318 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)/C(C)=C\C)CC1 ZINC001112757275 970169830 /nfs/dbraw/zinc/16/98/30/970169830.db2.gz KKISTSWRWJAINE-ACAGNQJTSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)C2=CCCC2)CC1 ZINC001112765831 970169946 /nfs/dbraw/zinc/16/99/46/970169946.db2.gz BMMOTXPZYUFAOL-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO C#CCCC1(CC[NH2+]C2CCC(OC)CC2)N=N1 ZINC001255455986 970187835 /nfs/dbraw/zinc/18/78/35/970187835.db2.gz WKFWKRAVQYDJBW-UHFFFAOYSA-N 1 0 249.358 2.499 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccccc1C#N ZINC001211260122 970202618 /nfs/dbraw/zinc/20/26/18/970202618.db2.gz IQGGILKPWRUTMS-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(F)cc1C#N ZINC001211263992 970209507 /nfs/dbraw/zinc/20/95/07/970209507.db2.gz RCOPKCPNRXRWFA-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO COc1c[nH+]ccc1Nc1csc(C#N)c1 ZINC001211263191 970210447 /nfs/dbraw/zinc/21/04/47/970210447.db2.gz VKLKAXVMGCNLBV-UHFFFAOYSA-N 1 0 231.280 2.189 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H]1CCCN(C)C1 ZINC001255492457 970255374 /nfs/dbraw/zinc/25/53/74/970255374.db2.gz FNKBHJHHXQKDNX-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001255546780 970319861 /nfs/dbraw/zinc/31/98/61/970319861.db2.gz RDSNOWGRLHBODO-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCOC(C)(C)C2)CC1 ZINC001255555636 970327437 /nfs/dbraw/zinc/32/74/37/970327437.db2.gz ZBRDTROUXLFWLY-CYBMUJFWSA-N 1 0 221.344 2.289 20 30 BEEDRO COC[C@@H](C)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001255557407 970336350 /nfs/dbraw/zinc/33/63/50/970336350.db2.gz SFMBYTGMAHWNNJ-LLVKDONJSA-N 1 0 232.327 2.418 20 30 BEEDRO C[C@@H](C#N)N(C)c1ncccc1C[NH+]1CCCC1 ZINC001157489572 970376691 /nfs/dbraw/zinc/37/66/91/970376691.db2.gz ABYMGMYWZICTSX-LBPRGKRZSA-N 1 0 244.342 2.026 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255691230 970456663 /nfs/dbraw/zinc/45/66/63/970456663.db2.gz FJSJQEDBGABDDM-UTLUCORTSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C ZINC001214428966 970500165 /nfs/dbraw/zinc/50/01/65/970500165.db2.gz RMBJKTOXFJEJAG-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1ccccc1F ZINC001255853216 970525043 /nfs/dbraw/zinc/52/50/43/970525043.db2.gz HQVMXLCQYYWDLD-ZDUSSCGKSA-N 1 0 229.298 2.325 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)S)CCO1 ZINC001170177112 970554157 /nfs/dbraw/zinc/55/41/57/970554157.db2.gz FGJGUYZYVLKDCZ-ZJUUUORDSA-N 1 0 217.378 2.242 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2cncc(C#N)c2)CCO1 ZINC001170192733 970565832 /nfs/dbraw/zinc/56/58/32/970565832.db2.gz FDVVWESPKUMTIK-KGLIPLIRSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)co2)CCO1 ZINC001170193289 970566904 /nfs/dbraw/zinc/56/69/04/970566904.db2.gz QPJFSWAILOABJN-NEPJUHHUSA-N 1 0 234.299 2.198 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCO[C@@H](CC)C2)N=N1 ZINC001170205235 970573330 /nfs/dbraw/zinc/57/33/30/970573330.db2.gz WVTSBHQVYAIMKB-OLZOCXBDSA-N 1 0 249.358 2.499 20 30 BEEDRO C[NH+]1CC(CNc2ccc3c(C#N)c[nH]c3c2)C1 ZINC001170256834 970641622 /nfs/dbraw/zinc/64/16/22/970641622.db2.gz YAHZVPAKNFVJNQ-UHFFFAOYSA-N 1 0 240.310 2.013 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)C1 ZINC001256079575 970645840 /nfs/dbraw/zinc/64/58/40/970645840.db2.gz MJTZSHKUZHXLFN-ZDUSSCGKSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCCCNc1[nH+]ccc2c1CCN2 ZINC001170296546 970672498 /nfs/dbraw/zinc/67/24/98/970672498.db2.gz NNWDWWPHSSTUBW-UHFFFAOYSA-N 1 0 203.289 2.428 20 30 BEEDRO C#CC1([NH2+][C@H](C)Cc2cccc(OC)c2)CC1 ZINC001256151581 970676096 /nfs/dbraw/zinc/67/60/96/970676096.db2.gz OWCLSMPNGSDYSF-GFCCVEGCSA-N 1 0 229.323 2.382 20 30 BEEDRO C=CCCCNc1cc(C)c2c(n1)CC[NH2+]C2 ZINC001170296415 970676237 /nfs/dbraw/zinc/67/62/37/970676237.db2.gz IWOKNSGGURTDIC-UHFFFAOYSA-N 1 0 231.343 2.414 20 30 BEEDRO CC(C)(S)C[NH2+]C#C[Si](C)(C)C ZINC001170305012 970694448 /nfs/dbraw/zinc/69/44/48/970694448.db2.gz HYWQHONNUOAIJO-UHFFFAOYSA-N 1 0 201.411 2.123 20 30 BEEDRO CCCCCCC[NH+]1CCC(CO)(OC)CC1 ZINC000401708907 970719479 /nfs/dbraw/zinc/71/94/79/970719479.db2.gz GTGXJHLDMPLYEU-UHFFFAOYSA-N 1 0 243.391 2.430 20 30 BEEDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1C#N ZINC000305268257 970722129 /nfs/dbraw/zinc/72/21/29/970722129.db2.gz ZHEIZEBZXLUHGY-OLZOCXBDSA-N 1 0 244.338 2.151 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001215379340 970726675 /nfs/dbraw/zinc/72/66/75/970726675.db2.gz LGOMRVMKXYTODY-FRRDWIJNSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc[nH]c1 ZINC001329037070 1169949800 /nfs/dbraw/zinc/94/98/00/1169949800.db2.gz PLELNUSFEKCZBX-NEPJUHHUSA-N 1 0 249.358 2.077 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170417433 970739413 /nfs/dbraw/zinc/73/94/13/970739413.db2.gz KMVYRHNWTVLGKF-YPMHNXCESA-N 1 0 245.322 2.348 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170417430 970740761 /nfs/dbraw/zinc/74/07/61/970740761.db2.gz KMVYRHNWTVLGKF-AAEUAGOBSA-N 1 0 245.322 2.348 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401933442 970749393 /nfs/dbraw/zinc/74/93/93/970749393.db2.gz JKMYVBFFIXQYQA-LLVKDONJSA-N 1 0 205.305 2.343 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C(C)C)CCCCC1 ZINC001115412127 970760417 /nfs/dbraw/zinc/76/04/17/970760417.db2.gz ODDLRSZGXAPVHP-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C1CCN(C(=O)[C@H]([NH3+])C2CCCCC2)CC1 ZINC001327448070 972579972 /nfs/dbraw/zinc/57/99/72/972579972.db2.gz CLQBGIPUTMFIDR-CYBMUJFWSA-N 1 0 236.359 2.073 20 30 BEEDRO C[NH2+][C@@H](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC001327841762 972753449 /nfs/dbraw/zinc/75/34/49/972753449.db2.gz ZEISUNWEEFVDQB-WDEREUQCSA-N 1 0 249.333 2.346 20 30 BEEDRO CC(=O)C(C)(C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171174948 972801829 /nfs/dbraw/zinc/80/18/29/972801829.db2.gz GNYLRPQFNFHQCO-NSHDSACASA-N 1 0 244.338 2.446 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCCO1 ZINC001171175103 972801903 /nfs/dbraw/zinc/80/19/03/972801903.db2.gz HKKIOEZNEHNZCS-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCO[C@@H]1C ZINC001171175854 972802858 /nfs/dbraw/zinc/80/28/58/972802858.db2.gz NYPWNUGYNIPZEV-LALPHHSUSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@H]1CCCOC1 ZINC001171177784 972806607 /nfs/dbraw/zinc/80/66/07/972806607.db2.gz AHOGYVJKPZXDNY-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO COC[C@H](C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171176332 972809626 /nfs/dbraw/zinc/80/96/26/972809626.db2.gz RJINHJXRDYRHJT-NEPJUHHUSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246565457 972810514 /nfs/dbraw/zinc/81/05/14/972810514.db2.gz CDZWZGINKMXHKE-VHSXEESVSA-N 1 0 249.280 2.034 20 30 BEEDRO C=CCC(CC=C)C(=O)NC[C@@H]1CCN1CC=C ZINC001276862048 972835234 /nfs/dbraw/zinc/83/52/34/972835234.db2.gz SEKAMHNUOWCSRY-AWEZNQCLSA-N 1 0 248.370 2.131 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171190451 972842002 /nfs/dbraw/zinc/84/20/02/972842002.db2.gz UVJDOZMVAVMGHD-RYUDHWBXSA-N 1 0 232.327 2.114 20 30 BEEDRO CC(C)([NH3+])CNc1ccc2c(C#N)c[nH]c2c1 ZINC001171192395 972843395 /nfs/dbraw/zinc/84/33/95/972843395.db2.gz FHLLZXHCJOOTNR-UHFFFAOYSA-N 1 0 228.299 2.189 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+]1C=C(N)C=CC1 ZINC001171194435 972848284 /nfs/dbraw/zinc/84/82/84/972848284.db2.gz JMBQOBYOKVPERN-GFCCVEGCSA-N 1 0 239.322 2.161 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171195153 972850327 /nfs/dbraw/zinc/85/03/27/972850327.db2.gz PVPSDRAWOQZFBQ-RYUDHWBXSA-N 1 0 227.311 2.381 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H](C)CC[C@@H]1CN ZINC001246571566 972850396 /nfs/dbraw/zinc/85/03/96/972850396.db2.gz VSHZQQQENYMVLF-JHJVBQTASA-N 1 0 223.364 2.128 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCC[C@H](O)C2)cc1 ZINC001144568043 972872766 /nfs/dbraw/zinc/87/27/66/972872766.db2.gz JCFXGMCBXPZYSX-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](C(C)=O)C2)cc1 ZINC001144576258 972876739 /nfs/dbraw/zinc/87/67/39/972876739.db2.gz HVVZGIBGOJUQIC-MRXNPFEDSA-N 1 0 241.334 2.469 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)cc1 ZINC001144576849 972879669 /nfs/dbraw/zinc/87/96/69/972879669.db2.gz SSLURQHYFOFVFF-DOMZBBRYSA-N 1 0 229.323 2.013 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(C2CC2)nc1)CC1CC1 ZINC001328214994 972909908 /nfs/dbraw/zinc/90/99/08/972909908.db2.gz LABYLNLRFVOYJJ-UHFFFAOYSA-N 1 0 241.338 2.199 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(C)C1 ZINC001171203251 972918009 /nfs/dbraw/zinc/91/80/09/972918009.db2.gz KYHMCKCZZPETFW-LBPRGKRZSA-N 1 0 214.312 2.441 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@H+](CC=C)[C@@H](C)C1 ZINC001328238789 972923626 /nfs/dbraw/zinc/92/36/26/972923626.db2.gz FNOVBBKEWFHZFE-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCCOCC1 ZINC001171204354 972926914 /nfs/dbraw/zinc/92/69/14/972926914.db2.gz WJISMKPJCXWFNX-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208986 972945718 /nfs/dbraw/zinc/94/57/18/972945718.db2.gz GWYFXWRNDNHBFR-IUODEOHRSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC001171210352 972953004 /nfs/dbraw/zinc/95/30/04/972953004.db2.gz SRWWQVLHUYZXLK-STQMWFEESA-N 1 0 244.338 2.210 20 30 BEEDRO COC[C@H]1CC[N@@H+]1[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229988 973028830 /nfs/dbraw/zinc/02/88/30/973028830.db2.gz ABKXBRVAROEHCA-SWLSCSKDSA-N 1 0 244.338 2.210 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CCC ZINC001328595925 973179811 /nfs/dbraw/zinc/17/98/11/973179811.db2.gz FBNLHYRADSMGND-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@@H](C)c1cccnc1 ZINC001328612508 973192927 /nfs/dbraw/zinc/19/29/27/973192927.db2.gz MEEAAISDUHDWOG-LBPRGKRZSA-N 1 0 214.312 2.488 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)O[C@H](C#N)c1ccccc1 ZINC001223709234 973227924 /nfs/dbraw/zinc/22/79/24/973227924.db2.gz KAMYURBZROQAIH-GXTWGEPZSA-N 1 0 233.335 2.363 20 30 BEEDRO C=CCO[C@H]1CCN(Cc2nccn2C(C)C)C1 ZINC001328656831 973239215 /nfs/dbraw/zinc/23/92/15/973239215.db2.gz XWQJEIKSLNSAFD-ZDUSSCGKSA-N 1 0 249.358 2.241 20 30 BEEDRO C#CC(C#C)O[C@@H](CC[NH+](C)C)c1ccccc1 ZINC001224136917 973458873 /nfs/dbraw/zinc/45/88/73/973458873.db2.gz OSEMBUOIXSQUKQ-INIZCTEOSA-N 1 0 241.334 2.331 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)nn2C)C1 ZINC001329066809 973461428 /nfs/dbraw/zinc/46/14/28/973461428.db2.gz JLTWKYBZSOIKCA-GFCCVEGCSA-N 1 0 219.332 2.127 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(C)oc1C ZINC001329069229 973461471 /nfs/dbraw/zinc/46/14/71/973461471.db2.gz ZPZGSSUDNFKPJP-CQSZACIVSA-N 1 0 235.327 2.414 20 30 BEEDRO C[NH+]1CC2(C1)CCCN(c1ccc(C#N)cc1)C2 ZINC001276959051 973492892 /nfs/dbraw/zinc/49/28/92/973492892.db2.gz ZLKQDLCLVQRZRH-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](C)C1CCCC1 ZINC001147341511 973535909 /nfs/dbraw/zinc/53/59/09/973535909.db2.gz UWBKTGBNTOXKNG-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(C#N)ccn2)[C@H]1C ZINC001171308389 973648614 /nfs/dbraw/zinc/64/86/14/973648614.db2.gz QYVAKZPHVYYOST-UTUOFQBUSA-N 1 0 229.327 2.430 20 30 BEEDRO C[NH+]1CCC(CO[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001224449866 973653955 /nfs/dbraw/zinc/65/39/55/973653955.db2.gz KDWUOBSAYWJDLC-CHWSQXEVSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H]1C[NH+](C2CCC(C)(C#N)CC2)C[C@H](C)N1 ZINC001246962167 973674111 /nfs/dbraw/zinc/67/41/11/973674111.db2.gz CZQIWEZPELGXTE-FEPKRQSRSA-N 1 0 235.375 2.141 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000234775194 973745674 /nfs/dbraw/zinc/74/56/74/973745674.db2.gz QPQAOTAQPMZNJC-BDAKNGLRSA-N 1 0 248.164 2.298 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001329413857 973756001 /nfs/dbraw/zinc/75/60/01/973756001.db2.gz IWXLQAXLIFXQKN-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001329474166 973787851 /nfs/dbraw/zinc/78/78/51/973787851.db2.gz ICUJYQJARRBNRN-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCO[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C ZINC001224669720 973842343 /nfs/dbraw/zinc/84/23/43/973842343.db2.gz IXYKSYHMCJMLSI-KLLCGCCRSA-N 1 0 239.359 2.196 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CO[C@@H]1CC[C@@H](C#N)C1 ZINC001224702122 973866601 /nfs/dbraw/zinc/86/66/01/973866601.db2.gz LKGDMIGNCLSCNJ-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C#C[C@H](OC[C@H]1CCCC[N@H+]1C)c1ccncc1 ZINC001224706481 973874811 /nfs/dbraw/zinc/87/48/11/973874811.db2.gz KRPLHPMZCVYHLR-CABCVRRESA-N 1 0 244.338 2.257 20 30 BEEDRO CC#Cc1cncc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171335416 973875780 /nfs/dbraw/zinc/87/57/80/973875780.db2.gz NVLMKQPQFWECAQ-ZDUSSCGKSA-N 1 0 229.327 2.007 20 30 BEEDRO CC#Cc1cncc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171335415 973876119 /nfs/dbraw/zinc/87/61/19/973876119.db2.gz NVLMKQPQFWECAQ-CYBMUJFWSA-N 1 0 229.327 2.007 20 30 BEEDRO Fc1cc(F)c2c(c1)C[C@@H]([NH2+]CCS)CC2 ZINC001171335779 973880003 /nfs/dbraw/zinc/88/00/03/973880003.db2.gz ARUJBUCFAHOWFF-JTQLQIEISA-N 1 0 243.322 2.342 20 30 BEEDRO C=C(COC1CN(C)C1)c1ccccc1 ZINC001224733955 973896596 /nfs/dbraw/zinc/89/65/96/973896596.db2.gz HTAYMEFTCQZUNV-UHFFFAOYSA-N 1 0 203.285 2.030 20 30 BEEDRO C=C(COC[C@H]1CN(C)CCO1)c1ccccc1 ZINC001224739729 973901713 /nfs/dbraw/zinc/90/17/13/973901713.db2.gz SVDHONLZKNTLSH-OAHLLOKOSA-N 1 0 247.338 2.047 20 30 BEEDRO C#C[C@H](CCC)OCCC[NH+]1CCCC1 ZINC001224744141 973904944 /nfs/dbraw/zinc/90/49/44/973904944.db2.gz IPISOXKYQWKTMN-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H]1CCC[C@@H]1OCCC[NH+]1CCCC1 ZINC001224745061 973906484 /nfs/dbraw/zinc/90/64/84/973906484.db2.gz VTAQKBSTSCRYJG-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO N#C[C@H]1CC[C@@H](OCCC[NH+]2CCCC2)C1 ZINC001224747962 973908210 /nfs/dbraw/zinc/90/82/10/973908210.db2.gz FIOQCTFNRKYOLD-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C#C[C@H](OCCC[NH+]1CCCC1)C(C)C ZINC001224751010 973916690 /nfs/dbraw/zinc/91/66/90/973916690.db2.gz VBCANGSBNDHUAH-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C[NH2+][C@@H](C)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247490302 973967142 /nfs/dbraw/zinc/96/71/42/973967142.db2.gz QBUMOQREZHFOLB-ZETCQYMHSA-N 1 0 246.245 2.028 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CC2CCC(O)CC2)C1 ZINC001329876204 973986295 /nfs/dbraw/zinc/98/62/95/973986295.db2.gz IWKGPTQTHQEEIW-RUXDESIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C#C[C@@H](CCCC)OC[C@@H]1CCC[N@@H+]1C ZINC001224817726 973996839 /nfs/dbraw/zinc/99/68/39/973996839.db2.gz YHVZZGAUSUNRAS-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405837 974011093 /nfs/dbraw/zinc/01/10/93/974011093.db2.gz AQKZTPDVWSYULO-ZYHUDNBSSA-N 1 0 217.287 2.294 20 30 BEEDRO C=CC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405410 974011124 /nfs/dbraw/zinc/01/11/24/974011124.db2.gz UOMCQRGIFOPBOB-NSHDSACASA-N 1 0 205.276 2.459 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@@H](OCC#CC2CC2)C1 ZINC001224849325 974024413 /nfs/dbraw/zinc/02/44/13/974024413.db2.gz BMHZYBRBWJUGNE-CQSZACIVSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC(C)C)C1 ZINC001329953075 974049451 /nfs/dbraw/zinc/04/94/51/974049451.db2.gz NHRHUGRCGMEPSQ-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2c(F)cccc2C1 ZINC001171436884 974062466 /nfs/dbraw/zinc/06/24/66/974062466.db2.gz HFUJTYZIUVFJGF-LBPRGKRZSA-N 1 0 217.287 2.248 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)C[C@H](C)CC)C1 ZINC001329986813 974066756 /nfs/dbraw/zinc/06/67/56/974066756.db2.gz ZYZQJLOHLZNBCV-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](CC(C)C)OCC[NH+](CC)CC ZINC001224931993 974078569 /nfs/dbraw/zinc/07/85/69/974078569.db2.gz RXTMWRRJHABOJO-CYBMUJFWSA-N 1 0 211.349 2.393 20 30 BEEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCC1(C#N)CC1 ZINC001224951917 974096104 /nfs/dbraw/zinc/09/61/04/974096104.db2.gz WGTYKBIEERAYMA-CLLJXQQHSA-N 1 0 234.343 2.037 20 30 BEEDRO CN(CCC#N)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171629503 974107433 /nfs/dbraw/zinc/10/74/33/974107433.db2.gz UIRYGWNDXAKYJM-UHFFFAOYSA-N 1 0 237.391 2.483 20 30 BEEDRO C[NH+]1C(C)(C)CC(N2CC[C@@H](C#N)C2)CC1(C)C ZINC001171639748 974137266 /nfs/dbraw/zinc/13/72/66/974137266.db2.gz ROKCDIRCAFHGPK-LBPRGKRZSA-N 1 0 249.402 2.483 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H]1CO ZINC001248748836 974143975 /nfs/dbraw/zinc/14/39/75/974143975.db2.gz XRJRGRJTUZGMDS-HNNXBMFYSA-N 1 0 244.338 2.077 20 30 BEEDRO C[C@@H]1C[C@@H](N(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC001171761904 974145332 /nfs/dbraw/zinc/14/53/32/974145332.db2.gz GXXCJFUCGDHJDF-UKRRQHHQSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171777316 974166453 /nfs/dbraw/zinc/16/64/53/974166453.db2.gz MQMIJBVBWVYVIA-LLVKDONJSA-N 1 0 205.276 2.459 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2Cc3cccc(F)c3C2)CC1 ZINC001171780798 974168755 /nfs/dbraw/zinc/16/87/55/974168755.db2.gz QUTTXFONZQZCPK-LLVKDONJSA-N 1 0 230.286 2.186 20 30 BEEDRO Fc1cccc2c1C[C@H]([NH2+]CCCS)C2 ZINC001171783436 974173147 /nfs/dbraw/zinc/17/31/47/974173147.db2.gz QXXKNXKZIFCTJJ-SNVBAGLBSA-N 1 0 225.332 2.202 20 30 BEEDRO N#CCC1C[NH+]([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171793932 974183368 /nfs/dbraw/zinc/18/33/68/974183368.db2.gz NXGCFYGRDBUJHD-GFCCVEGCSA-N 1 0 230.286 2.138 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(C)C ZINC001171798583 974196019 /nfs/dbraw/zinc/19/60/19/974196019.db2.gz CSLAYGNCFWBDGA-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO N#C[C@@H]1CCN([C@@H]2Cc3cccc(F)c3C2)C1 ZINC001171806930 974204133 /nfs/dbraw/zinc/20/41/33/974204133.db2.gz LQSRYGBZTLLNNY-CMPLNLGQSA-N 1 0 230.286 2.138 20 30 BEEDRO Cc1cccc(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001225241627 974299458 /nfs/dbraw/zinc/29/94/58/974299458.db2.gz LOBFIXMYVJLAQA-CQSZACIVSA-N 1 0 233.335 2.362 20 30 BEEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C#N)cc1 ZINC001225247165 974306001 /nfs/dbraw/zinc/30/60/01/974306001.db2.gz HOZZYRFHWCOVMJ-LLVKDONJSA-N 1 0 219.308 2.032 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC001330558407 974313379 /nfs/dbraw/zinc/31/33/79/974313379.db2.gz GQKQWBQIPJJISF-KGLIPLIRSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001330577535 974328521 /nfs/dbraw/zinc/32/85/21/974328521.db2.gz JIROBVSYHSAWIF-XJFOESAGSA-N 1 0 221.344 2.309 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC001330589337 974342423 /nfs/dbraw/zinc/34/24/23/974342423.db2.gz SJBBKSOWAMANBG-NWDGAFQWSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(=O)C=C(C)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100589 974344244 /nfs/dbraw/zinc/34/42/44/974344244.db2.gz FQPOXPSQUMCAHQ-WGCQOFRPSA-N 1 0 236.359 2.084 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001172130397 974355393 /nfs/dbraw/zinc/35/53/93/974355393.db2.gz OQRHJHLIKYETJN-XGUBFFRZSA-N 1 0 247.386 2.237 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172123572 974390336 /nfs/dbraw/zinc/39/03/36/974390336.db2.gz FDMCOZCIBBQOBH-CAOSSQGBSA-N 1 0 246.398 2.347 20 30 BEEDRO N#Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218744 974443748 /nfs/dbraw/zinc/44/37/48/974443748.db2.gz BYNDKCWQUJLMTC-GOOCMWNKSA-N 1 0 242.322 2.358 20 30 BEEDRO N#Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cs1 ZINC001172220375 974453570 /nfs/dbraw/zinc/45/35/70/974453570.db2.gz CIADNEJJJNLVBU-YOGCLGLASA-N 1 0 248.351 2.419 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1 ZINC001172228700 974468561 /nfs/dbraw/zinc/46/85/61/974468561.db2.gz BPHKGARRKODWAB-GOOCMWNKSA-N 1 0 240.306 2.134 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172230939 974470927 /nfs/dbraw/zinc/47/09/27/974470927.db2.gz IKPRXRZSDPHURU-FUDCBSFHSA-N 1 0 219.328 2.042 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172229960 974471559 /nfs/dbraw/zinc/47/15/59/974471559.db2.gz QHUWSJHSLNOGMM-FUDCBSFHSA-N 1 0 234.343 2.322 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1 ZINC001172233781 974477115 /nfs/dbraw/zinc/47/71/15/974477115.db2.gz LTUVLWWBTZWPDS-MQVJKMGUSA-N 1 0 239.318 2.244 20 30 BEEDRO C=CCC[NH2+]CCC[C@H](C)NC(=O)C1(C)CC1 ZINC001330818733 974486573 /nfs/dbraw/zinc/48/65/73/974486573.db2.gz DOSNTXURJAOKID-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2C#N)CO1 ZINC001172270937 974487455 /nfs/dbraw/zinc/48/74/55/974487455.db2.gz IEUYHTPITVXVIR-ZDUSSCGKSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)CCC[NH2+]CC ZINC001330828585 974490818 /nfs/dbraw/zinc/49/08/18/974490818.db2.gz XANNLEFNCFQVQS-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CCCCC1 ZINC001172236352 974495267 /nfs/dbraw/zinc/49/52/67/974495267.db2.gz RQHKTBSPRNRQBU-AGUYFDCRSA-N 1 0 231.339 2.398 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172242592 974505463 /nfs/dbraw/zinc/50/54/63/974505463.db2.gz YPDPKSJJPJGPNA-FUDCBSFHSA-N 1 0 232.327 2.098 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301435 974511786 /nfs/dbraw/zinc/51/17/86/974511786.db2.gz OOFYKQPHJJEJLW-NSHDSACASA-N 1 0 200.285 2.265 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+](C)C[C@@H](C)C[NH3+] ZINC001172300782 974513509 /nfs/dbraw/zinc/51/35/09/974513509.db2.gz ZGYQYIQEWIORBM-QWHCGFSZSA-N 1 0 245.370 2.016 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172302802 974516811 /nfs/dbraw/zinc/51/68/11/974516811.db2.gz QZRXMNWEFOGNPS-CQDKDKBSSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cnoc1 ZINC001172302379 974517771 /nfs/dbraw/zinc/51/77/71/974517771.db2.gz JBWKETLKKMQTOF-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@]1(C)CCOC1 ZINC001172306077 974518864 /nfs/dbraw/zinc/51/88/64/974518864.db2.gz WJLNZKOFTZZKFO-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]1F ZINC001172303506 974519070 /nfs/dbraw/zinc/51/90/70/974519070.db2.gz YVJSMLKJFJLNTB-OASPWFOLSA-N 1 0 218.275 2.189 20 30 BEEDRO COC[C@H]1CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172317166 974525655 /nfs/dbraw/zinc/52/56/55/974525655.db2.gz PXXOVWBTGSFZAW-IUODEOHRSA-N 1 0 244.338 2.210 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CCCC[C@H]1[NH+](C)C ZINC001330899548 974527970 /nfs/dbraw/zinc/52/79/70/974527970.db2.gz CQSQWLQUFUXJEP-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C1(C)COC1 ZINC001172321142 974530354 /nfs/dbraw/zinc/53/03/54/974530354.db2.gz ZRZZQXMDKFKMEJ-LBPRGKRZSA-N 1 0 244.338 2.210 20 30 BEEDRO C#CC1([NH2+][C@@H]2COC(C)(C)C2)CCCCC1 ZINC001172283805 974541435 /nfs/dbraw/zinc/54/14/35/974541435.db2.gz ZYPCAEUAJQBQFP-LBPRGKRZSA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@@H](CCC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225547500 974549083 /nfs/dbraw/zinc/54/90/83/974549083.db2.gz XZXQFFCDVNUEMK-LBPRGKRZSA-N 1 0 246.310 2.366 20 30 BEEDRO C=CC(C=C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546139 974549675 /nfs/dbraw/zinc/54/96/75/974549675.db2.gz MCAADROVVSRLQA-UHFFFAOYSA-N 1 0 232.283 2.305 20 30 BEEDRO CC1(C)C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)CO1 ZINC001172289476 974554531 /nfs/dbraw/zinc/55/45/31/974554531.db2.gz XHYMQQOUQFHPER-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C)C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)CO1 ZINC001172289474 974555605 /nfs/dbraw/zinc/55/56/05/974555605.db2.gz XHYMQQOUQFHPER-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccon1 ZINC001172289993 974557248 /nfs/dbraw/zinc/55/72/48/974557248.db2.gz LQZBIJGGCPKBTO-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCCCCO ZINC001172290930 974557425 /nfs/dbraw/zinc/55/74/25/974557425.db2.gz GNHMDTUVDYGAFU-ZDUSSCGKSA-N 1 0 246.354 2.241 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)n1cncc1C[NH3+] ZINC001172289911 974557809 /nfs/dbraw/zinc/55/78/09/974557809.db2.gz KCIAGHJHDKYTOB-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCC(C)(C)O ZINC001172294114 974559957 /nfs/dbraw/zinc/55/99/57/974559957.db2.gz FVNFQDHDPHTABM-GFCCVEGCSA-N 1 0 246.354 2.240 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cocn1 ZINC001172296546 974566689 /nfs/dbraw/zinc/56/66/89/974566689.db2.gz ATTDMZABTYQXAB-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001331074360 974586979 /nfs/dbraw/zinc/58/69/79/974586979.db2.gz CHEYJXJXSVGTIF-TUUUFIMRSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CC(C)(C)CO1 ZINC001331108615 974606091 /nfs/dbraw/zinc/60/60/91/974606091.db2.gz CXUCHJZGMDSHBQ-CYBMUJFWSA-N 1 0 221.344 2.147 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH2+][C@@H](C)CC#N ZINC001172340457 974606841 /nfs/dbraw/zinc/60/68/41/974606841.db2.gz WSWVMGMZXXWGNM-SDDRHHMPSA-N 1 0 212.337 2.472 20 30 BEEDRO CCCCCCC[C@H](CC)n1nnnc1C[NH3+] ZINC001172347049 974618581 /nfs/dbraw/zinc/61/85/81/974618581.db2.gz PVTDMHHNFRPKFF-NSHDSACASA-N 1 0 239.367 2.443 20 30 BEEDRO CCCCCCC[C@H](CC)[N@H+](C)C[C@H](O)CO ZINC001172357962 974627612 /nfs/dbraw/zinc/62/76/12/974627612.db2.gz NOBOVFDVEZQABE-KBPBESRZSA-N 1 0 245.407 2.411 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001172405759 974661718 /nfs/dbraw/zinc/66/17/18/974661718.db2.gz CVYXBZRTZKAOPI-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]CC(C)(C)S ZINC001172435434 974680285 /nfs/dbraw/zinc/68/02/85/974680285.db2.gz GPVWWTILBNEXPR-JTQLQIEISA-N 1 0 219.394 2.488 20 30 BEEDRO CCOCC[C@H](C)[NH2+]CC(C)(C)S ZINC001172415278 974681982 /nfs/dbraw/zinc/68/19/82/974681982.db2.gz UXWWBJYFAKDMEO-VIFPVBQESA-N 1 0 205.367 2.100 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C=C1CCC1 ZINC001331421238 974712341 /nfs/dbraw/zinc/71/23/41/974712341.db2.gz IHEZMZCAXAFYEY-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)CC ZINC001331428435 974717289 /nfs/dbraw/zinc/71/72/89/974717289.db2.gz XKEDZMROIKTQIK-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)/C=C(\C)CC ZINC001331438720 974718163 /nfs/dbraw/zinc/71/81/63/974718163.db2.gz BUFXMDUTGVNQQC-RPHSKFLZSA-N 1 0 238.375 2.355 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCc1ccsc1 ZINC001331583883 974768035 /nfs/dbraw/zinc/76/80/35/974768035.db2.gz NXDHTFVYQYJWJL-DGCLKSJQSA-N 1 0 237.368 2.043 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCc1ccsc1 ZINC001331583886 974769590 /nfs/dbraw/zinc/76/95/90/974769590.db2.gz NXDHTFVYQYJWJL-WCQYABFASA-N 1 0 237.368 2.043 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H](CO)c1ccccc1 ZINC001172476510 974772798 /nfs/dbraw/zinc/77/27/98/974772798.db2.gz LXLHOJZZYAJTAP-GXTWGEPZSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1cccnc1 ZINC001172476503 974772860 /nfs/dbraw/zinc/77/28/60/974772860.db2.gz LVDLAJDGJNAKRS-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H](O)c1ccccc1 ZINC001172477377 974774054 /nfs/dbraw/zinc/77/40/54/974774054.db2.gz YSVMDYUINASOPP-GXTWGEPZSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1(C)CCOCC1 ZINC001172476877 974774388 /nfs/dbraw/zinc/77/43/88/974774388.db2.gz RXRBYWXNXWJKLX-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO Cc1oncc1C[NH2+][C@H](C)CCCC#N ZINC001172477281 974774837 /nfs/dbraw/zinc/77/48/37/974774837.db2.gz YIVKPOSATPTQQX-SECBINFHSA-N 1 0 207.277 2.155 20 30 BEEDRO COCC1([NH2+][C@@H](C)CCCC#N)CCC1 ZINC001172479629 974779411 /nfs/dbraw/zinc/77/94/11/974779411.db2.gz NFRPXKZNMMOWFP-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CCCCO1 ZINC001172479444 974779751 /nfs/dbraw/zinc/77/97/51/974779751.db2.gz LSWBQKWHTINAMJ-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCCCO1 ZINC001172479447 974780425 /nfs/dbraw/zinc/78/04/25/974780425.db2.gz LSWBQKWHTINAMJ-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC(=O)C(C)(C)C ZINC001172481471 974781879 /nfs/dbraw/zinc/78/18/79/974781879.db2.gz URKDVUAQFCGIAP-SNVBAGLBSA-N 1 0 210.321 2.274 20 30 BEEDRO COc1ccc(C[NH2+][C@H](C)CCCC#N)nc1 ZINC001172482892 974783616 /nfs/dbraw/zinc/78/36/16/974783616.db2.gz AVOLIIYBEGDZCJ-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H](O)c1cccc(O)c1 ZINC001172482048 974784437 /nfs/dbraw/zinc/78/44/37/974784437.db2.gz BIGOPIOBCGTQQW-FZMZJTMJSA-N 1 0 248.326 2.098 20 30 BEEDRO Cc1cc(C)c(C#N)c(O[C@@H]2CCC[N@@H+](C)C2)n1 ZINC001226092052 974784657 /nfs/dbraw/zinc/78/46/57/974784657.db2.gz VTCOBEOYZDSRAK-GFCCVEGCSA-N 1 0 245.326 2.043 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001172483435 974785512 /nfs/dbraw/zinc/78/55/12/974785512.db2.gz PWSYHHRODAYTOW-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CC(C)(C)O1 ZINC001172484001 974785818 /nfs/dbraw/zinc/78/58/18/974785818.db2.gz WTKCGZLYHDFILD-WDEREUQCSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(O)c1O ZINC001172485681 974787840 /nfs/dbraw/zinc/78/78/40/974787840.db2.gz SGZOXGWAAGUAHQ-JTQLQIEISA-N 1 0 234.299 2.270 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001172484698 974787862 /nfs/dbraw/zinc/78/78/62/974787862.db2.gz HRBNKVVPLGTHQB-UGFHNGPFSA-N 1 0 244.338 2.317 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCCC(C)(C)O ZINC001172485193 974788008 /nfs/dbraw/zinc/78/80/08/974788008.db2.gz NCNLSPMYNTYNFK-LLVKDONJSA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC(C)(C)S ZINC001172485503 974789197 /nfs/dbraw/zinc/78/91/97/974789197.db2.gz QRLPPVWLDNDHNK-VIFPVBQESA-N 1 0 200.351 2.367 20 30 BEEDRO COc1cccc(C[NH2+][C@@H](C)CCCC#N)n1 ZINC001172485510 974789478 /nfs/dbraw/zinc/78/94/78/974789478.db2.gz QUITXLWGXRAJQD-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1(c2cnccn2)CC1 ZINC001172486739 974790751 /nfs/dbraw/zinc/79/07/51/974790751.db2.gz GZJWVHJKYJAXAQ-GFCCVEGCSA-N 1 0 244.342 2.180 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001172486621 974791246 /nfs/dbraw/zinc/79/12/46/974791246.db2.gz GNSQHGYPOADTQR-UTUOFQBUSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)[C@H](C)CC)CC1 ZINC001226144913 974806526 /nfs/dbraw/zinc/80/65/26/974806526.db2.gz LNYMDCYRECQEHW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@]1(C)CCOC1 ZINC001172490785 974836774 /nfs/dbraw/zinc/83/67/74/974836774.db2.gz AEDIUHJEYSMGCZ-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@](O)(CF)CC1 ZINC001172490905 974837102 /nfs/dbraw/zinc/83/71/02/974837102.db2.gz AKWUMIFLGKBXAF-CHWSQXEVSA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001172490911 974837585 /nfs/dbraw/zinc/83/75/85/974837585.db2.gz AKWUMIFLGKBXAF-STQMWFEESA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001172491323 974837607 /nfs/dbraw/zinc/83/76/07/974837607.db2.gz MVLJCBZCIMHSQG-SDDRHHMPSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@]1(C)CC[C@H](O)CC1 ZINC001172490818 974837687 /nfs/dbraw/zinc/83/76/87/974837687.db2.gz ATOSGLWSTWHJQB-AVGNSLFASA-N 1 0 224.348 2.352 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CCN(C2CCC2)CC1 ZINC001172492351 974838733 /nfs/dbraw/zinc/83/87/33/974838733.db2.gz KHSQYUODCUYLNM-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001172493506 974839218 /nfs/dbraw/zinc/83/92/18/974839218.db2.gz MNJDDRFMHUIOOA-OLZOCXBDSA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001172493889 974842563 /nfs/dbraw/zinc/84/25/63/974842563.db2.gz OXRNMINCUVUWGQ-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001172493640 974842915 /nfs/dbraw/zinc/84/29/15/974842915.db2.gz NGKGIDZLCOFLAD-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCOC[C@@H](C)C1 ZINC001172494666 974844017 /nfs/dbraw/zinc/84/40/17/974844017.db2.gz XADSXOZRIQAFCA-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CCC(C#N)CC1 ZINC001172494534 974844504 /nfs/dbraw/zinc/84/45/04/974844504.db2.gz VJWBDQJYJRYMDE-LLVKDONJSA-N 1 0 205.305 2.304 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172499257 974851079 /nfs/dbraw/zinc/85/10/79/974851079.db2.gz CJNGQTBVYRSXMM-QWHCGFSZSA-N 1 0 204.317 2.414 20 30 BEEDRO CCCCCCC[C@H](CCC)[NH2+]C[C@@H](O)CO ZINC001172501833 974853326 /nfs/dbraw/zinc/85/33/26/974853326.db2.gz KXWPQABGXJLGKP-UONOGXRCSA-N 1 0 245.407 2.458 20 30 BEEDRO COC(=O)C[C@@H]1CCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172501476 974854603 /nfs/dbraw/zinc/85/46/03/974854603.db2.gz QSMOUEOHRKIMDV-RYUDHWBXSA-N 1 0 238.331 2.096 20 30 BEEDRO CC[N@H+](CCn1cccn1)[C@H](C)CCCC#N ZINC001172503142 974856994 /nfs/dbraw/zinc/85/69/94/974856994.db2.gz YEXGBMWIKABJLT-CYBMUJFWSA-N 1 0 234.347 2.287 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1[C@H](C)CCCC#N ZINC001172502319 974857673 /nfs/dbraw/zinc/85/76/73/974857673.db2.gz UJSDFKAYPRFCFM-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@@H](C)C1C[NH+]([C@H](C)CCCC#N)C1 ZINC001172509418 974862162 /nfs/dbraw/zinc/86/21/62/974862162.db2.gz LKTOADDLDNSCTN-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO COC(=O)CC[N@H+]([C@H](C)CCCC#N)C1CC1 ZINC001172508393 974862169 /nfs/dbraw/zinc/86/21/69/974862169.db2.gz CLHVFTRZLFWXFB-LLVKDONJSA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172509009 974862289 /nfs/dbraw/zinc/86/22/89/974862289.db2.gz JBCBAPDCJDJMFZ-NWDGAFQWSA-N 1 0 205.305 2.304 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(C#N)ccn1 ZINC001331965988 974894887 /nfs/dbraw/zinc/89/48/87/974894887.db2.gz QTQFXXBZAIJFIF-NHCYSSNCSA-N 1 0 215.300 2.402 20 30 BEEDRO C[C@H]([NH2+]C1(C)CC1)c1cc(C#N)ccn1 ZINC001331965391 974894895 /nfs/dbraw/zinc/89/48/95/974894895.db2.gz NTMZCLNAZVVULX-VIFPVBQESA-N 1 0 201.273 2.156 20 30 BEEDRO C#CC[N@@H+](C)C1CC(C)(C)OC(C)(C)C1 ZINC001172658782 974898534 /nfs/dbraw/zinc/89/85/34/974898534.db2.gz CIVPIPLTNVBKCW-UHFFFAOYSA-N 1 0 209.333 2.288 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172758880 974929415 /nfs/dbraw/zinc/92/94/15/974929415.db2.gz INQLILCLKMIZFF-NEPJUHHUSA-N 1 0 240.347 2.389 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172796713 974952752 /nfs/dbraw/zinc/95/27/52/974952752.db2.gz OAQCHIFREMFMKS-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCC[C@H](OC)C2)N=N1 ZINC001172936980 974992062 /nfs/dbraw/zinc/99/20/62/974992062.db2.gz ZQEOVBLHUGAACT-STQMWFEESA-N 1 0 249.358 2.499 20 30 BEEDRO CC#CC[C@H](CC)Oc1cc[nH+]c(N)c1 ZINC001226653782 974999854 /nfs/dbraw/zinc/99/98/54/974999854.db2.gz PMYUIFNWQTYIPN-JTQLQIEISA-N 1 0 204.273 2.235 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH+]2CCC(S)CC2)C1 ZINC001172942504 975000416 /nfs/dbraw/zinc/00/04/16/975000416.db2.gz JRQMBSDMVVYEKY-WDEREUQCSA-N 1 0 229.389 2.338 20 30 BEEDRO C=CC[NH2+][C@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172952150 975009159 /nfs/dbraw/zinc/00/91/59/975009159.db2.gz ZSVFMZXFSKTJJJ-LLVKDONJSA-N 1 0 242.363 2.408 20 30 BEEDRO CC[NH+](CC)C1CCC([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001173114301 975025213 /nfs/dbraw/zinc/02/52/13/975025213.db2.gz FNQGAZKHFYRSPJ-NFOMZHRRSA-N 1 0 249.402 2.485 20 30 BEEDRO C#CCCC[NH2+][C@H]1COc2cccc(OC)c2C1 ZINC001173146775 975044351 /nfs/dbraw/zinc/04/43/51/975044351.db2.gz IWYYLOJZVOKBFN-GFCCVEGCSA-N 1 0 245.322 2.002 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1COc2cccc(OC)c2C1 ZINC001173144727 975045425 /nfs/dbraw/zinc/04/54/25/975045425.db2.gz NIZMEWGOAAVRFV-LLVKDONJSA-N 1 0 245.322 2.000 20 30 BEEDRO C#CCCC[NH2+][C@@H]1COc2cccc(OC)c2C1 ZINC001173146781 975045444 /nfs/dbraw/zinc/04/54/44/975045444.db2.gz IWYYLOJZVOKBFN-LBPRGKRZSA-N 1 0 245.322 2.002 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cc(C)ccc2C#N)C1 ZINC001226754589 975058594 /nfs/dbraw/zinc/05/85/94/975058594.db2.gz SBGITOHOLKYJRF-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)CCO1 ZINC001173171900 975068722 /nfs/dbraw/zinc/06/87/22/975068722.db2.gz FIBILEALGKIRMK-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)/C=C\C2CC2)CC1 ZINC001226769481 975069918 /nfs/dbraw/zinc/06/99/18/975069918.db2.gz KGXMAIJAMUFAGC-SREVYHEPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)/C=C/C2CC2)CC1 ZINC001226769482 975070294 /nfs/dbraw/zinc/07/02/94/975070294.db2.gz KGXMAIJAMUFAGC-VOTSOKGWSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@H]1CC[C@@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001173269216 975140570 /nfs/dbraw/zinc/14/05/70/975140570.db2.gz GRZVNEVKTFWAPG-QWHCGFSZSA-N 1 0 235.375 2.143 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)CSCC)C1 ZINC001173308253 975216203 /nfs/dbraw/zinc/21/62/03/975216203.db2.gz FNYNHPAFIPRNJV-NEPJUHHUSA-N 1 0 211.374 2.473 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cn(C)cn2)CC1 ZINC001173309645 975222367 /nfs/dbraw/zinc/22/23/67/975222367.db2.gz YQHSPVIVXJCHIW-UHFFFAOYSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2ccncn2)CC1 ZINC001173312087 975223443 /nfs/dbraw/zinc/22/34/43/975223443.db2.gz AFIBHJAQSMBQNZ-UHFFFAOYSA-N 1 0 247.342 2.080 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc2c1CCC2 ZINC001332612398 975228191 /nfs/dbraw/zinc/22/81/91/975228191.db2.gz KWQGYHUHEAOTCX-AWEZNQCLSA-N 1 0 231.339 2.466 20 30 BEEDRO C=CCOC1CCC([NH+]2CC(C)C2)CC1 ZINC001173321419 975268227 /nfs/dbraw/zinc/26/82/27/975268227.db2.gz KFYCIQFVSHMDGD-UHFFFAOYSA-N 1 0 209.333 2.452 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ncco2)CC1 ZINC001173324313 975271807 /nfs/dbraw/zinc/27/18/07/975271807.db2.gz LZNXKXDMACEFQH-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO C=CCOC1CCC([N@H+](C)CCF)CC1 ZINC001173326296 975273123 /nfs/dbraw/zinc/27/31/23/975273123.db2.gz YFRAFPYZWTUQKQ-UHFFFAOYSA-N 1 0 215.312 2.402 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC001173324790 975274145 /nfs/dbraw/zinc/27/41/45/975274145.db2.gz VZUPUIXGIOQQGB-FKZOYECMSA-N 1 0 236.359 2.209 20 30 BEEDRO Cn1cnc(CC[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173324897 975274566 /nfs/dbraw/zinc/27/45/66/975274566.db2.gz XMXUZWPYXVKGLO-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO Cc1cc(C[NH3+])nn1C1CCC(CC#N)CC1 ZINC001173325771 975274838 /nfs/dbraw/zinc/27/48/38/975274838.db2.gz MZOYUZAUEXRZLA-UHFFFAOYSA-N 1 0 232.331 2.295 20 30 BEEDRO CCOCCC[NH2+]C1CCC(CC#N)CC1 ZINC001173324977 975274945 /nfs/dbraw/zinc/27/49/45/975274945.db2.gz YPUURGUCFSLGNC-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CC[C@@H](O)CC2)CC1 ZINC001173330070 975278331 /nfs/dbraw/zinc/27/83/31/975278331.db2.gz RYMPYTOBALCSAQ-LLZFXZEUSA-N 1 0 236.359 2.352 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)CCC)C(C)(C)C ZINC001332755266 975278836 /nfs/dbraw/zinc/27/88/36/975278836.db2.gz ZWEQPOIVRPIOOV-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@]1(O)C[C@H](C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173330149 975279489 /nfs/dbraw/zinc/27/94/89/975279489.db2.gz WFUUKLUHIBYIEH-LCKMOKORSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1ncc(C[NH2+]C2CCC(CC#N)CC2)cn1 ZINC001173330096 975279644 /nfs/dbraw/zinc/27/96/44/975279644.db2.gz SPLIIZXMNNAMEN-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)CCC[N@@H+](C)CC)C1 ZINC001280855981 975281569 /nfs/dbraw/zinc/28/15/69/975281569.db2.gz GFNVLRIYHSKKOE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO COCC[N@H+](C)C1CCC(CC#N)CC1 ZINC001173332633 975282576 /nfs/dbraw/zinc/28/25/76/975282576.db2.gz QAKJHFMPRQIOJD-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C[N@H+](Cc1cncnc1)C1CCC(CC#N)CC1 ZINC001173341187 975285509 /nfs/dbraw/zinc/28/55/09/975285509.db2.gz QYVHJNOLKOIKAZ-UHFFFAOYSA-N 1 0 244.342 2.381 20 30 BEEDRO C[N@H+](Cc1ccncn1)C1CCC(CC#N)CC1 ZINC001173341506 975286204 /nfs/dbraw/zinc/28/62/04/975286204.db2.gz YCCYTVSDOMYCCY-UHFFFAOYSA-N 1 0 244.342 2.381 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC001173316161 975304735 /nfs/dbraw/zinc/30/47/35/975304735.db2.gz XOQJJNZHXGLTPT-LCKMOKORSA-N 1 0 239.359 2.003 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](CC)C[C@](C)(O)CC ZINC001332880210 975306928 /nfs/dbraw/zinc/30/69/28/975306928.db2.gz FOIVBUUPGFCBRY-JHJVBQTASA-N 1 0 229.364 2.107 20 30 BEEDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001332886875 975309979 /nfs/dbraw/zinc/30/99/79/975309979.db2.gz USEGXJVCXGMVLK-AGIUHOORSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001332886877 975310157 /nfs/dbraw/zinc/31/01/57/975310157.db2.gz USEGXJVCXGMVLK-JHJVBQTASA-N 1 0 224.348 2.065 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@](C)(CC)OC ZINC001332977494 975355011 /nfs/dbraw/zinc/35/50/11/975355011.db2.gz ZEYLVKQXPGJUCN-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+]CCCCC#N ZINC001173439066 975376881 /nfs/dbraw/zinc/37/68/81/975376881.db2.gz DKAPNLGMNMFYPO-LBPRGKRZSA-N 1 0 240.347 2.392 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173442129 975376964 /nfs/dbraw/zinc/37/69/64/975376964.db2.gz KYELDAKAYHXRCL-NSHDSACASA-N 1 0 213.321 2.274 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173442066 975377588 /nfs/dbraw/zinc/37/75/88/975377588.db2.gz ZEQTYKFJEVCVDJ-RYUDHWBXSA-N 1 0 240.347 2.390 20 30 BEEDRO N#CC1CC([NH2+]C2Cc3cc(F)c(F)cc3C2)C1 ZINC001173477280 975383342 /nfs/dbraw/zinc/38/33/42/975383342.db2.gz JWZNCKSGRIBBCI-UHFFFAOYSA-N 1 0 248.276 2.324 20 30 BEEDRO Fc1cc2c(cc1F)CC([NH2+]CCCS)C2 ZINC001173478478 975387140 /nfs/dbraw/zinc/38/71/40/975387140.db2.gz QXGDHJVDUXDGFF-UHFFFAOYSA-N 1 0 243.322 2.342 20 30 BEEDRO Cn1cnc(CC[NH2+]C2CCC(C)(C#N)CC2)c1 ZINC001173586700 975429791 /nfs/dbraw/zinc/42/97/91/975429791.db2.gz FFBVXBXYTLPAAV-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO Cc1ccnc(C[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC001173586667 975432941 /nfs/dbraw/zinc/43/29/41/975432941.db2.gz DJKUYYJTILZASW-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCc2cnccn2)CC1 ZINC001173588892 975436010 /nfs/dbraw/zinc/43/60/10/975436010.db2.gz MCCBBSCULFQZPB-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO CCC(=O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001173590450 975440272 /nfs/dbraw/zinc/44/02/72/975440272.db2.gz JLMJNJWGRDCJGH-UHFFFAOYSA-N 1 0 208.305 2.028 20 30 BEEDRO CC[N@H+](CCOC)C1CCC(C)(C#N)CC1 ZINC001173592075 975443972 /nfs/dbraw/zinc/44/39/72/975443972.db2.gz FAVOEGDUCCENBS-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CCC1=O ZINC001173592558 975446246 /nfs/dbraw/zinc/44/62/46/975446246.db2.gz TTXNJMSOPFQILN-DCBWTQNWSA-N 1 0 234.343 2.370 20 30 BEEDRO C[C@H]1C[C@@H](CO)[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173593216 975452558 /nfs/dbraw/zinc/45/25/58/975452558.db2.gz GSPWKIIKXLKBCJ-AHPWVWPOSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C1CCC(C)(C#N)CC1 ZINC001173594121 975456542 /nfs/dbraw/zinc/45/65/42/975456542.db2.gz SGMZMFNTJXKQQC-ZUJMUWTESA-N 1 0 249.402 2.483 20 30 BEEDRO C=CCN1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173596488 975456676 /nfs/dbraw/zinc/45/66/76/975456676.db2.gz YEWNYHJLZWRWPC-UHFFFAOYSA-N 1 0 247.386 2.262 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173597365 975472874 /nfs/dbraw/zinc/47/28/74/975472874.db2.gz QRTSWTXAVLBEHL-CPCZMJQVSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C#N)CCC([N@H+](C2CC2)C2COC2)CC1 ZINC001173599131 975473824 /nfs/dbraw/zinc/47/38/24/975473824.db2.gz FVNHPCNMRTWTKA-UHFFFAOYSA-N 1 0 234.343 2.322 20 30 BEEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCS)C1 ZINC001173635608 975494031 /nfs/dbraw/zinc/49/40/31/975494031.db2.gz IIOBJNHLQXAOHU-GHMZBOCLSA-N 1 0 245.388 2.018 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173711404 975521590 /nfs/dbraw/zinc/52/15/90/975521590.db2.gz HWBPHPDRBKUPIU-NSHDSACASA-N 1 0 233.311 2.180 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H]2C[C@@]21C(N)=O ZINC001277230258 975591216 /nfs/dbraw/zinc/59/12/16/975591216.db2.gz FAKYZNRIOPUWOU-OCCSQVGLSA-N 1 0 238.375 2.297 20 30 BEEDRO C=CCCC(=O)NCC1=CC[N@H+](CC2CC2)CC1 ZINC001333304778 975627241 /nfs/dbraw/zinc/62/72/41/975627241.db2.gz QFUFTOVEARGCHP-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](CCC)OC)C1 ZINC001333372077 975716892 /nfs/dbraw/zinc/71/68/92/975716892.db2.gz UDXISSZQWLBVNK-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC001333487140 975809806 /nfs/dbraw/zinc/80/98/06/975809806.db2.gz SSDWZLVLSKBJJW-CHWSQXEVSA-N 1 0 221.344 2.432 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCSc1ccncc1 ZINC001333487706 975812154 /nfs/dbraw/zinc/81/21/54/975812154.db2.gz ZLJLNMQUYQCOKT-LLVKDONJSA-N 1 0 220.341 2.127 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC001333505899 975822686 /nfs/dbraw/zinc/82/26/86/975822686.db2.gz XKWPQBPVTJBHRC-UTUOFQBUSA-N 1 0 229.389 2.451 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC001333505898 975823285 /nfs/dbraw/zinc/82/32/85/975823285.db2.gz XKWPQBPVTJBHRC-IJLUTSLNSA-N 1 0 229.389 2.451 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)C=C ZINC001277263962 975866375 /nfs/dbraw/zinc/86/63/75/975866375.db2.gz KPHFXNGDYKQYNG-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)CCC1(C)C ZINC001333643410 975897939 /nfs/dbraw/zinc/89/79/39/975897939.db2.gz PXJBQFNVZAAXAZ-ZJUUUORDSA-N 1 0 244.766 2.246 20 30 BEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1Cc1ccc(C#N)s1 ZINC001333625037 975902595 /nfs/dbraw/zinc/90/25/95/975902595.db2.gz SGBHSLFHRWIVRC-GXFFZTMASA-N 1 0 249.383 2.144 20 30 BEEDRO COc1ccc(OC2CC[NH+](C)CC2)c(C#N)c1 ZINC001228112529 975910271 /nfs/dbraw/zinc/91/02/71/975910271.db2.gz HRSBDAXDUUWTRN-UHFFFAOYSA-N 1 0 246.310 2.040 20 30 BEEDRO C#C[C@H](CC)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC001346298316 1169995495 /nfs/dbraw/zinc/99/54/95/1169995495.db2.gz CXRGZOGLGLVLKD-GFCCVEGCSA-N 1 0 248.301 2.156 20 30 BEEDRO Cc1ccc(C#N)c(Nc2cc[nH+]cc2)c1 ZINC001173882366 975935406 /nfs/dbraw/zinc/93/54/06/975935406.db2.gz GQARTRUQXVRJII-UHFFFAOYSA-N 1 0 209.252 2.427 20 30 BEEDRO N#Cc1c(F)cccc1Nc1cc[nH+]cc1 ZINC001173882452 975936884 /nfs/dbraw/zinc/93/68/84/975936884.db2.gz LIYYOSDQSSIMFF-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO Cc1cccc(Nc2cc[nH+]cc2)c1C#N ZINC001173882768 975940293 /nfs/dbraw/zinc/94/02/93/975940293.db2.gz SMDYUXVPGUJZOK-UHFFFAOYSA-N 1 0 209.252 2.427 20 30 BEEDRO N#Cc1cc(Nc2cc[nH+]cc2)ccc1F ZINC001173882754 975940827 /nfs/dbraw/zinc/94/08/27/975940827.db2.gz RMJFFIQVHJBELZ-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO COc1ccc(C#N)cc1Nc1cc[nH+]cc1 ZINC001173884924 975973833 /nfs/dbraw/zinc/97/38/33/975973833.db2.gz XZZCKSYQWOIXDD-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1cc(F)c(C#N)c(F)c1 ZINC001228225126 976004726 /nfs/dbraw/zinc/00/47/26/976004726.db2.gz WRPLOEXNZWGLMD-MRVPVSSYSA-N 1 0 240.253 2.165 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1nccc(C)c1C#N ZINC001228304347 976091644 /nfs/dbraw/zinc/09/16/44/976091644.db2.gz BCQGNSSZPIPYDC-LBPRGKRZSA-N 1 0 247.342 2.371 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1CF)[C@H]1CCCO1 ZINC001334094788 976294446 /nfs/dbraw/zinc/29/44/46/976294446.db2.gz XZKAQBWVLAXZJM-LSDHHAIUSA-N 1 0 247.313 2.427 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001334205193 976377167 /nfs/dbraw/zinc/37/71/67/976377167.db2.gz AEJMARJGWQPKMD-NDBYEHHHSA-N 1 0 209.333 2.144 20 30 BEEDRO N#Cc1ncccc1Nc1ccc2[nH+]ccn2c1 ZINC001174277336 976503364 /nfs/dbraw/zinc/50/33/64/976503364.db2.gz RKZPLXVLFSOLFV-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C#C[C@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228937063 976590425 /nfs/dbraw/zinc/59/04/25/976590425.db2.gz VBTXOMXEMREXBU-NSHDSACASA-N 1 0 215.296 2.075 20 30 BEEDRO C[C@@H](CS)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228944991 976599148 /nfs/dbraw/zinc/59/91/48/976599148.db2.gz RAXMGHDLTRUUPO-JTQLQIEISA-N 1 0 237.368 2.372 20 30 BEEDRO Cc1cnc(Nc2cc[nH+]cc2C)c(C#N)c1 ZINC001174536212 976816360 /nfs/dbraw/zinc/81/63/60/976816360.db2.gz KYSQUOQDAOEEOR-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1c[nH+]ccc1Nc1nc(C)c(C#N)cc1C#N ZINC001174536964 976821001 /nfs/dbraw/zinc/82/10/01/976821001.db2.gz PKXZIGPURYOSAB-UHFFFAOYSA-N 1 0 249.277 2.002 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccc(N)cc1C#N ZINC001174538254 976824911 /nfs/dbraw/zinc/82/49/11/976824911.db2.gz CBHADQAAVKAFBC-UHFFFAOYSA-N 1 0 224.267 2.009 20 30 BEEDRO Cc1cc(Nc2nc(Cl)ccc2C#N)cc[nH+]1 ZINC001174653604 976939063 /nfs/dbraw/zinc/93/90/63/976939063.db2.gz HPLCDYVWEFNOBQ-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO Cc1cc(Nc2cccc(C#N)c2)cc[nH+]1 ZINC001174654787 976944271 /nfs/dbraw/zinc/94/42/71/976944271.db2.gz MGZWIPQRBVLPQR-UHFFFAOYSA-N 1 0 209.252 2.427 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC001335312448 976948914 /nfs/dbraw/zinc/94/89/14/976948914.db2.gz ADZNXGWRALUOIF-GFCCVEGCSA-N 1 0 248.326 2.329 20 30 BEEDRO C[C@@H](CS)Oc1ccccc1C[NH+](C)C ZINC001229700753 976956768 /nfs/dbraw/zinc/95/67/68/976956768.db2.gz CUQBXRCBLYEHCA-JTQLQIEISA-N 1 0 225.357 2.445 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001174705513 976964198 /nfs/dbraw/zinc/96/41/98/976964198.db2.gz ITVYGJQZVGAKJP-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@@H](F)CC ZINC001174727279 976974589 /nfs/dbraw/zinc/97/45/89/976974589.db2.gz YBKYJTJYTLUXKA-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC001335381744 977016523 /nfs/dbraw/zinc/01/65/23/977016523.db2.gz MRSACVYOLYCFCG-QEJZJMRPSA-N 1 0 249.354 2.025 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC001335381742 977018634 /nfs/dbraw/zinc/01/86/34/977018634.db2.gz MRSACVYOLYCFCG-CFVMTHIKSA-N 1 0 249.354 2.025 20 30 BEEDRO N#Cc1cncc(C[NH2+]C2Cc3ccccc3C2)c1 ZINC000721526938 977072564 /nfs/dbraw/zinc/07/25/64/977072564.db2.gz MRIFCLSILYRGHA-UHFFFAOYSA-N 1 0 249.317 2.210 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CCC(=O)Nc1ccccc1F ZINC001335476517 977085259 /nfs/dbraw/zinc/08/52/59/977085259.db2.gz ILJBQUQFBCWMQH-NSHDSACASA-N 1 0 248.301 2.156 20 30 BEEDRO CC(C)[NH+]1CCC(Oc2cccc(C#N)n2)CC1 ZINC001230043173 977102216 /nfs/dbraw/zinc/10/22/16/977102216.db2.gz HSIHKBAUNNIBOV-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO C[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)CC(F)F ZINC001335518556 977113699 /nfs/dbraw/zinc/11/36/99/977113699.db2.gz KWRQCNGUNZLIHC-VHSXEESVSA-N 1 0 248.317 2.168 20 30 BEEDRO COC[C@H](C[NH2+]C[C@H](C)CCC#N)C(C)C ZINC001335566027 977147373 /nfs/dbraw/zinc/14/73/73/977147373.db2.gz RHACXZOMODFYTR-OLZOCXBDSA-N 1 0 226.364 2.434 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccccc1CC#N ZINC001230275558 977154231 /nfs/dbraw/zinc/15/42/31/977154231.db2.gz BUPVVELOBTVBKY-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C=C(C)CCC(=O)NCC1([NH+](C)C)CCCC1 ZINC001335727017 977249145 /nfs/dbraw/zinc/24/91/45/977249145.db2.gz MYYAIJXLAOSJRN-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH+](CC)CC ZINC001335773588 977275472 /nfs/dbraw/zinc/27/54/72/977275472.db2.gz MWZVGLAVVRUKEF-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1cc(F)ccc1C#N ZINC001230636650 977285721 /nfs/dbraw/zinc/28/57/21/977285721.db2.gz OALNOKPTHRMMMA-SECBINFHSA-N 1 0 222.263 2.026 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC001335806085 977297293 /nfs/dbraw/zinc/29/72/93/977297293.db2.gz HTUSKNDZHMLQSW-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CCCCCC ZINC001175186287 977327611 /nfs/dbraw/zinc/32/76/11/977327611.db2.gz SUVOJQJGDQGJKU-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)C ZINC001230802966 977337659 /nfs/dbraw/zinc/33/76/59/977337659.db2.gz RRMCUXDTEXSRAB-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@]1([NH2+]CC2CCC(C#N)CC2)CCOC1 ZINC001335927569 977365911 /nfs/dbraw/zinc/36/59/11/977365911.db2.gz MDZCYJQRNOFSGL-RUXDESIVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1CCC(C#N)CC1 ZINC001335928977 977365970 /nfs/dbraw/zinc/36/59/70/977365970.db2.gz YUFDXJYIQFHTMO-UHFFFAOYSA-N 1 0 236.359 2.451 20 30 BEEDRO CC#CC[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001335969086 977391815 /nfs/dbraw/zinc/39/18/15/977391815.db2.gz OLNROJKUURNTMF-LBPRGKRZSA-N 1 0 241.693 2.125 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC001336016896 977432757 /nfs/dbraw/zinc/43/27/57/977432757.db2.gz OBOIKBYPHZGTLR-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)CCCNC(=O)C1CC1 ZINC001231073866 977459987 /nfs/dbraw/zinc/45/99/87/977459987.db2.gz XOJNJRAREIUDRU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCC[N@@H+](C)CCCSCC(C)C ZINC001336051363 977462220 /nfs/dbraw/zinc/46/22/20/977462220.db2.gz PAJGPNCGMLRNGR-UHFFFAOYSA-N 1 0 243.416 2.347 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(OC)o1 ZINC001336062031 977470609 /nfs/dbraw/zinc/47/06/09/977470609.db2.gz DBMUTHNDGXCDBE-UHFFFAOYSA-N 1 0 207.273 2.181 20 30 BEEDRO C=CCC[N@H+](C)CCCNC(=O)C1CCCC1 ZINC001231113038 977475792 /nfs/dbraw/zinc/47/57/92/977475792.db2.gz BSULYBQXXPXAPQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)C1CCCC1 ZINC001231105873 977476074 /nfs/dbraw/zinc/47/60/74/977476074.db2.gz AUODVSJOATWODS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2cncc(C#N)c2)CCO1 ZINC000721596839 977487122 /nfs/dbraw/zinc/48/71/22/977487122.db2.gz NUEJGIWOJKNTSJ-ZDUSSCGKSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H]1CSCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721599112 977520119 /nfs/dbraw/zinc/52/01/19/977520119.db2.gz YYLSTVSVVHCGDN-LLVKDONJSA-N 1 0 247.367 2.138 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)C1CCCCC1 ZINC001231324791 977571344 /nfs/dbraw/zinc/57/13/44/977571344.db2.gz CLTUXMLXZOXQDL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@@H](CC#N)N1Cc2ccccc2C[C@@H]1C[NH3+] ZINC000721614502 977571392 /nfs/dbraw/zinc/57/13/92/977571392.db2.gz MPNAEZHSTXMNHQ-LSDHHAIUSA-N 1 0 243.354 2.064 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccc(F)c(C#N)c2)C1 ZINC001175576812 977589135 /nfs/dbraw/zinc/58/91/35/977589135.db2.gz UGRLNGSWRVXJPL-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccccc1NC ZINC001336262797 977604277 /nfs/dbraw/zinc/60/42/77/977604277.db2.gz OZBSXXLIVHEEKY-UHFFFAOYSA-N 1 0 234.343 2.411 20 30 BEEDRO C=CCOc1cccc(C[NH+]2CCC2)c1 ZINC001231621888 977653798 /nfs/dbraw/zinc/65/37/98/977653798.db2.gz LKMNEGKBHLGVSQ-UHFFFAOYSA-N 1 0 203.285 2.457 20 30 BEEDRO C#Cc1cccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001231655931 977663260 /nfs/dbraw/zinc/66/32/60/977663260.db2.gz WJZBKLCDJWRQND-UONOGXRCSA-N 1 0 242.366 2.192 20 30 BEEDRO N#CC1CC[NH+](Cc2cc3cc[nH]c3cn2)CC1 ZINC001231665729 977672692 /nfs/dbraw/zinc/67/26/92/977672692.db2.gz KQNZBYYIMLPWQT-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C#Cc1cccc(C[N@@H+](CC)CC(C)(C)O)c1 ZINC001231664258 977675815 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/nfs/dbraw/zinc/36/20/75/978362075.db2.gz UWUQIUMPRNLIDW-UHFFFAOYSA-N 1 0 242.322 2.089 20 30 BEEDRO Cc1ccc(CN2CC[N@H+](C)[C@H](C)C2)c(C#N)c1 ZINC001232967298 978367082 /nfs/dbraw/zinc/36/70/82/978367082.db2.gz HSBKBKQUSGYIMW-CYBMUJFWSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C(=C)C[NH+](C)C ZINC001337488599 978368535 /nfs/dbraw/zinc/36/85/35/978368535.db2.gz OBIZLYVXSXKRBD-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO CC[N@H+](Cc1ccc(C)cc1C#N)CC(C)(C)O ZINC001232967647 978369007 /nfs/dbraw/zinc/36/90/07/978369007.db2.gz UCNCZKAGNBAVSX-UHFFFAOYSA-N 1 0 246.354 2.460 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c(C#N)c1 ZINC001232967401 978370214 /nfs/dbraw/zinc/37/02/14/978370214.db2.gz LDQOWSYWPVWNKX-DOMZBBRYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001337535085 978392972 /nfs/dbraw/zinc/39/29/72/978392972.db2.gz KSHBSADWZAOAGE-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C=C(C)C ZINC001277752789 978421235 /nfs/dbraw/zinc/42/12/35/978421235.db2.gz SSASDIWVQHURFF-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)CC(C)C ZINC001177783772 978434147 /nfs/dbraw/zinc/43/41/47/978434147.db2.gz GDENYWMNMFADEO-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+]([C@H]2C=CCCC2)C1 ZINC001337648302 978443155 /nfs/dbraw/zinc/44/31/55/978443155.db2.gz DENRIAUANSXQEM-STQMWFEESA-N 1 0 207.317 2.372 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001233083483 978465243 /nfs/dbraw/zinc/46/52/43/978465243.db2.gz MQZTUTVOAPCYAZ-OAHLLOKOSA-N 1 0 242.322 2.232 20 30 BEEDRO C=CCCC(=O)NCCCCCC[NH2+]CC=C ZINC001178018619 978491836 /nfs/dbraw/zinc/49/18/36/978491836.db2.gz YJKUAZYNNGQRPF-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)/C(C)=C/C ZINC001178144269 978511939 /nfs/dbraw/zinc/51/19/39/978511939.db2.gz FKHQYQWJZIRCDB-WLRTZDKTSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCn1cnn(CN(C)CC(C)C)c1=S ZINC001337929857 978567371 /nfs/dbraw/zinc/56/73/71/978567371.db2.gz PTFSNPRKPODCLV-UHFFFAOYSA-N 1 0 240.376 2.145 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C=C\C2CC2)[C@H]1C ZINC001178418365 978567942 /nfs/dbraw/zinc/56/79/42/978567942.db2.gz PNHXVLDIAGPZOW-RSDJLKMVSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc2cccnc2s1 ZINC001233348481 978570914 /nfs/dbraw/zinc/57/09/14/978570914.db2.gz CYBVQLCJJBVYSW-UHFFFAOYSA-N 1 0 216.309 2.361 20 30 BEEDRO C#Cc1ccc(NCCCC[N@@H+](C)C2CC2)nc1 ZINC001338009136 978589145 /nfs/dbraw/zinc/58/91/45/978589145.db2.gz YJCODURYAFKERL-UHFFFAOYSA-N 1 0 243.354 2.349 20 30 BEEDRO Cc1ccc(NC[C@H]2CCCC[N@H+]2C)c(C#N)n1 ZINC001338129644 978617323 /nfs/dbraw/zinc/61/73/23/978617323.db2.gz FVRYFQHKVURNAC-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233499399 978617410 /nfs/dbraw/zinc/61/74/10/978617410.db2.gz FKYMEKLEZWBDLB-PSKZRQQASA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C/C1CC1 ZINC001233499401 978617476 /nfs/dbraw/zinc/61/74/76/978617476.db2.gz FKYMEKLEZWBDLB-UZYOAWRESA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(OCC)cc1 ZINC001338119377 978619248 /nfs/dbraw/zinc/61/92/48/978619248.db2.gz OVTYYZGJFXOLRF-CYBMUJFWSA-N 1 0 235.327 2.376 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC ZINC000722019503 978647329 /nfs/dbraw/zinc/64/73/29/978647329.db2.gz KBNOGFJYRDNAPC-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)nn1 ZINC001206358444 978647985 /nfs/dbraw/zinc/64/79/85/978647985.db2.gz PLJNQIQFTPPGQJ-FPMFFAJLSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC001338319820 978658818 /nfs/dbraw/zinc/65/88/18/978658818.db2.gz MJOGJAOQOUWJTK-CHWSQXEVSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@H](F)CC ZINC001179264844 978685780 /nfs/dbraw/zinc/68/57/80/978685780.db2.gz CQSSLQIUNRPWJA-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001338481079 978690734 /nfs/dbraw/zinc/69/07/34/978690734.db2.gz BUHKFDSQWCMOJV-PELKAZGASA-N 1 0 241.693 2.124 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001338481085 978692143 /nfs/dbraw/zinc/69/21/43/978692143.db2.gz BUHKFDSQWCMOJV-QPUJVOFHSA-N 1 0 241.693 2.124 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCC ZINC000722022047 978692912 /nfs/dbraw/zinc/69/29/12/978692912.db2.gz SKYFMCYRHVVVTG-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)CC[N@H+](C)CCCNC(=O)c1ccc[nH]1 ZINC001233881092 978723461 /nfs/dbraw/zinc/72/34/61/978723461.db2.gz WCUIWNWZWIBVTR-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233926986 978730884 /nfs/dbraw/zinc/73/08/84/978730884.db2.gz UNBNPDTWTIPASQ-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)Nc1ncccc1C#N ZINC001338805505 978737797 /nfs/dbraw/zinc/73/77/97/978737797.db2.gz YWYQWJSDVIHJJS-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C#Cc1ccc(OC2CC[NH+](C(C)C)CC2)nc1 ZINC001233968413 978744114 /nfs/dbraw/zinc/74/41/14/978744114.db2.gz YGFDAWRHXUUVAR-UHFFFAOYSA-N 1 0 244.338 2.315 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C1(C)CC1 ZINC001277825739 978755085 /nfs/dbraw/zinc/75/50/85/978755085.db2.gz GCADKJWSRJOUQC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001277832284 978778267 /nfs/dbraw/zinc/77/82/67/978778267.db2.gz RPZZJLMPWZEXKP-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCN1C[C@H](F)C[C@H]([NH3+])C1 ZINC001206404412 978785823 /nfs/dbraw/zinc/78/58/23/978785823.db2.gz KVPIIRBNGUPNTD-NEPJUHHUSA-N 1 0 214.328 2.104 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)C(CC)CC ZINC001234197539 978791069 /nfs/dbraw/zinc/79/10/69/978791069.db2.gz TUDWBUXLXJMYMU-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CC[C@@H](C)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234424478 978833872 /nfs/dbraw/zinc/83/38/72/978833872.db2.gz QUHMEUQTFHHORO-GFCCVEGCSA-N 1 0 229.323 2.465 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cncn2CCC)C1 ZINC001180318056 978856462 /nfs/dbraw/zinc/85/64/62/978856462.db2.gz VNAJJVBOYNWQEU-CQSZACIVSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cncn2CCC)C1 ZINC001180318055 978857087 /nfs/dbraw/zinc/85/70/87/978857087.db2.gz VNAJJVBOYNWQEU-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C#Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC001339537033 978866213 /nfs/dbraw/zinc/86/62/13/978866213.db2.gz VLXNFUFMLWZSGI-UONOGXRCSA-N 1 0 241.338 2.102 20 30 BEEDRO CC#CCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC001180467662 978890301 /nfs/dbraw/zinc/89/03/01/978890301.db2.gz AANJPFUAPOEDCQ-QMMMGPOBSA-N 1 0 206.116 2.183 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)c(C(=O)OC)c1 ZINC001234963765 978940011 /nfs/dbraw/zinc/94/00/11/978940011.db2.gz GQIQVHUWXMDXGE-UHFFFAOYSA-N 1 0 249.310 2.100 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001180897884 978967347 /nfs/dbraw/zinc/96/73/47/978967347.db2.gz VPKPVCUMLWSOPJ-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001340079944 978967483 /nfs/dbraw/zinc/96/74/83/978967483.db2.gz RAANIZDKTUCZDM-WCQYABFASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC)C1 ZINC001181050577 978990063 /nfs/dbraw/zinc/99/00/63/978990063.db2.gz RPGGTFKFXOOIGY-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC001340473583 979024392 /nfs/dbraw/zinc/02/43/92/979024392.db2.gz YSDVBABDEPOBHX-UPJWGTAASA-N 1 0 238.375 2.032 20 30 BEEDRO N#CCCCN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001277942885 979033287 /nfs/dbraw/zinc/03/32/87/979033287.db2.gz GMKBUWIECXKNKV-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc3nonc3c2)CC1 ZINC001181315098 979044780 /nfs/dbraw/zinc/04/47/80/979044780.db2.gz KFAFYJTYPXQSFH-UHFFFAOYSA-N 1 0 242.282 2.006 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235511037 979057828 /nfs/dbraw/zinc/05/78/28/979057828.db2.gz FMUOQTWTDUANQK-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC001181371360 979063448 /nfs/dbraw/zinc/06/34/48/979063448.db2.gz ALUTTWJEPUTCAW-YPMHNXCESA-N 1 0 232.327 2.157 20 30 BEEDRO CC(=O)[C@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235524232 979067809 /nfs/dbraw/zinc/06/78/09/979067809.db2.gz CXNBPWAFYRKNEL-AWEZNQCLSA-N 1 0 242.322 2.164 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235526026 979075003 /nfs/dbraw/zinc/07/50/03/979075003.db2.gz USGQKCCEYSCYAI-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC1(C[NH3+])CCCCC1 ZINC001340766347 979095549 /nfs/dbraw/zinc/09/55/49/979095549.db2.gz ASJRUVWRJISVJG-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C(C)C)C1 ZINC001340769076 979099674 /nfs/dbraw/zinc/09/96/74/979099674.db2.gz TYPIVSUFVJASQD-CHWSQXEVSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C(C)C ZINC001277953992 979099899 /nfs/dbraw/zinc/09/98/99/979099899.db2.gz JXCGQMQECUZJLN-CHWSQXEVSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC001340819196 979117122 /nfs/dbraw/zinc/11/71/22/979117122.db2.gz YOFRVPUGWZRRAF-CHWSQXEVSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001181510600 979127927 /nfs/dbraw/zinc/12/79/27/979127927.db2.gz ZXAGLZLFUQSHSN-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H](Cc2ccccc2)C1 ZINC001235715851 979134018 /nfs/dbraw/zinc/13/40/18/979134018.db2.gz VBHXETOXLXKPKU-MRXNPFEDSA-N 1 0 244.382 2.327 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H](c2ccccc2F)C1 ZINC001235724158 979135695 /nfs/dbraw/zinc/13/56/95/979135695.db2.gz CLKRWSYUGULCTO-ZDUSSCGKSA-N 1 0 248.345 2.391 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@@H](Cc2ccccc2)C1 ZINC001235715850 979137079 /nfs/dbraw/zinc/13/70/79/979137079.db2.gz VBHXETOXLXKPKU-INIZCTEOSA-N 1 0 244.382 2.327 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH2+]CCC1(C)C ZINC001340900326 979148868 /nfs/dbraw/zinc/14/88/68/979148868.db2.gz KVJWIQNFJRTFGE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)COc1ccccc1CN(C)C1C[NH2+]C1 ZINC001235921815 979208254 /nfs/dbraw/zinc/20/82/54/979208254.db2.gz QYAZXMXMVKAVSI-UHFFFAOYSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@@H](c2cccc(F)c2)C1 ZINC001235934381 979211358 /nfs/dbraw/zinc/21/13/58/979211358.db2.gz MOAUHWGOQSQICR-CQSZACIVSA-N 1 0 248.345 2.391 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H](c2cccc(F)c2)C1 ZINC001235934379 979215211 /nfs/dbraw/zinc/21/52/11/979215211.db2.gz MOAUHWGOQSQICR-AWEZNQCLSA-N 1 0 248.345 2.391 20 30 BEEDRO C=CC[NH2+]CCN(CC)Cc1ccccc1F ZINC001235960833 979228447 /nfs/dbraw/zinc/22/84/47/979228447.db2.gz QSRWUVVCENRLDG-UHFFFAOYSA-N 1 0 236.334 2.423 20 30 BEEDRO CCC[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001341121037 979241280 /nfs/dbraw/zinc/24/12/80/979241280.db2.gz ONYOKVRUYPZSNC-YNEHKIRRSA-N 1 0 224.348 2.209 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCCCCC[NH3+] ZINC001341166104 979258220 /nfs/dbraw/zinc/25/82/20/979258220.db2.gz LZMPNTZFVAABPF-LBPRGKRZSA-N 1 0 226.364 2.224 20 30 BEEDRO C#Cc1ccc(CN(CC)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236005204 979293843 /nfs/dbraw/zinc/29/38/43/979293843.db2.gz BSNPJMCUCFAUFY-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C=C1CCN(C(=O)[C@](C)(C[NH3+])CC(C)C)CC1 ZINC001341305448 979327172 /nfs/dbraw/zinc/32/71/72/979327172.db2.gz XACXZYIIUSLXPA-AWEZNQCLSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001181850550 979337074 /nfs/dbraw/zinc/33/70/74/979337074.db2.gz ZSTBTRSYLZKUDI-HSBSLETESA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCCCNC(=O)CC[N@@H+](C)CCCCC ZINC001181867556 979341003 /nfs/dbraw/zinc/34/10/03/979341003.db2.gz YXUITKUZCKDGLA-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)[C@@H](C)CC ZINC001341337519 979341852 /nfs/dbraw/zinc/34/18/52/979341852.db2.gz TUBZORYNOBDWKT-RYUDHWBXSA-N 1 0 226.364 2.317 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCCC23CCC3)c1 ZINC001341394576 979372680 /nfs/dbraw/zinc/37/26/80/979372680.db2.gz ZKRVVECQCCRBHH-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO CCCCCCCC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001341421932 979389806 /nfs/dbraw/zinc/38/98/06/979389806.db2.gz GJHXNESWODTKDE-YNEHKIRRSA-N 1 0 238.375 2.356 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC001341445595 979403557 /nfs/dbraw/zinc/40/35/57/979403557.db2.gz CTTMADVVCMLXSX-TZMCWYRMSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCOc1cccc(CN(CC)CC[NH2+]C)c1 ZINC001236144460 979415630 /nfs/dbraw/zinc/41/56/30/979415630.db2.gz UFHUTIFIGZWWRS-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC001341512494 979443839 /nfs/dbraw/zinc/44/38/39/979443839.db2.gz DWMFRDPHXSFPIT-WCQYABFASA-N 1 0 246.354 2.403 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC001341512492 979444890 /nfs/dbraw/zinc/44/48/90/979444890.db2.gz DWMFRDPHXSFPIT-AAEUAGOBSA-N 1 0 246.354 2.403 20 30 BEEDRO C#Cc1cccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236216193 979453330 /nfs/dbraw/zinc/45/33/30/979453330.db2.gz IWOQYPJXYQQKNH-JKSUJKDBSA-N 1 0 242.366 2.370 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC001341670384 979517335 /nfs/dbraw/zinc/51/73/35/979517335.db2.gz SFRWOWKRCUIGTQ-LBPRGKRZSA-N 1 0 238.375 2.461 20 30 BEEDRO C#Cc1cccc(CN(CCC)[C@H]2CC[NH2+]C2)c1 ZINC001236322888 979535805 /nfs/dbraw/zinc/53/58/05/979535805.db2.gz APOHXRACAVADEG-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO CC[NH+](CC)CCn1cc(CCCC#N)cn1 ZINC001250059178 979536704 /nfs/dbraw/zinc/53/67/04/979536704.db2.gz AMAUMBXQBIAEIU-UHFFFAOYSA-N 1 0 234.347 2.071 20 30 BEEDRO C[NH+](C)CCOc1cccc(CCC#N)c1 ZINC001250057567 979537385 /nfs/dbraw/zinc/53/73/85/979537385.db2.gz XVAFFDWSCFANDY-UHFFFAOYSA-N 1 0 218.300 2.083 20 30 BEEDRO CCCCCCCN(CCOC)[C@@H]1CC[NH2+]C1 ZINC001236334405 979537889 /nfs/dbraw/zinc/53/78/89/979537889.db2.gz PEALJNGHJVIBHW-CQSZACIVSA-N 1 0 242.407 2.267 20 30 BEEDRO Cc1c(C(=O)O[C@@H](C)CC#N)ccc2c[nH+]cn21 ZINC001341805327 979564026 /nfs/dbraw/zinc/56/40/26/979564026.db2.gz QTFHMVKMCTUONH-VIFPVBQESA-N 1 0 243.266 2.102 20 30 BEEDRO C=CCN(CC[NH2+]CC)C1CCCCC1 ZINC001236433196 979595441 /nfs/dbraw/zinc/59/54/41/979595441.db2.gz GTCIBPWTZFXZCW-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001342009482 979616494 /nfs/dbraw/zinc/61/64/94/979616494.db2.gz VSFFIPHIKJXPNM-SRVKXCTJSA-N 1 0 242.338 2.067 20 30 BEEDRO N#Cc1ccc(-c2cccc(C[NH3+])n2)c(F)c1 ZINC001236528443 979620694 /nfs/dbraw/zinc/62/06/94/979620694.db2.gz VODDYRDBEHTHHC-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(OC)ccn2)CCC1 ZINC001342145327 979678585 /nfs/dbraw/zinc/67/85/85/979678585.db2.gz BARMNLPQPQLOLN-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C/C=C(/C)C=C ZINC001479238244 979679746 /nfs/dbraw/zinc/67/97/46/979679746.db2.gz WFDOAWVGQDKKFO-LVOZBFFPSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccsc1 ZINC001183027707 979701683 /nfs/dbraw/zinc/70/16/83/979701683.db2.gz WGWYMBOKTUPHHF-UHFFFAOYSA-N 1 0 236.340 2.339 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236711738 979706453 /nfs/dbraw/zinc/70/64/53/979706453.db2.gz VDJOUGBYMDWDBU-LLVKDONJSA-N 1 0 233.286 2.377 20 30 BEEDRO C=CCCCN(CC)C(=O)C1=CCC[NH2+]CC1 ZINC001342255658 979737846 /nfs/dbraw/zinc/73/78/46/979737846.db2.gz LDUSUTFJCIFPKW-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO COc1cc(C)c(C[NH+]2CC(CC#N)C2)c(O)c1 ZINC001236819671 979749014 /nfs/dbraw/zinc/74/90/14/979749014.db2.gz ZBWZWEVVCPRQHU-UHFFFAOYSA-N 1 0 246.310 2.055 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC[NH2+]C2)CC1 ZINC001236844341 979754170 /nfs/dbraw/zinc/75/41/70/979754170.db2.gz UHEWHHWIYSRWEO-CYBMUJFWSA-N 1 0 206.333 2.152 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CC1CC1 ZINC001342455712 979805654 /nfs/dbraw/zinc/80/56/54/979805654.db2.gz QUQGXGCODLVXLF-OLZOCXBDSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC001342455832 979805747 /nfs/dbraw/zinc/80/57/47/979805747.db2.gz SFVWQRJLWPZUGK-LBPRGKRZSA-N 1 0 236.359 2.215 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(F)c(N2CCCC2)c1 ZINC001237096371 979813654 /nfs/dbraw/zinc/81/36/54/979813654.db2.gz PQFRQNXTEMEICC-UHFFFAOYSA-N 1 0 246.329 2.491 20 30 BEEDRO CCCCCCCCCN1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102341 979818360 /nfs/dbraw/zinc/81/83/60/979818360.db2.gz ZISNTKNDDQHWPA-UONOGXRCSA-N 1 0 242.407 2.395 20 30 BEEDRO CCCCCCCCN1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001237102359 979819441 /nfs/dbraw/zinc/81/94/41/979819441.db2.gz ZWRQXQBQAYEULN-QWHCGFSZSA-N 1 0 228.380 2.005 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCCC1CC=CC1 ZINC001342667088 979859098 /nfs/dbraw/zinc/85/90/98/979859098.db2.gz WDENONVPIISNNH-ZDUSSCGKSA-N 1 0 236.359 2.143 20 30 BEEDRO Oc1cc(F)cc(C[NH+]2CCC(S)CC2)c1 ZINC001237281129 979860341 /nfs/dbraw/zinc/86/03/41/979860341.db2.gz ODWKQBDVGYDLON-UHFFFAOYSA-N 1 0 241.331 2.426 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCN(C(C)=O)C[C@H]1C ZINC001183665115 979872681 /nfs/dbraw/zinc/87/26/81/979872681.db2.gz WWAKEJJBOGWDBR-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC)C[C@@H]1C ZINC001183721592 979875185 /nfs/dbraw/zinc/87/51/85/979875185.db2.gz CNQFUDQTIGFJIU-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC001342734454 979882227 /nfs/dbraw/zinc/88/22/27/979882227.db2.gz XKODITVZXVCTDH-KBPBESRZSA-N 1 0 246.354 2.056 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001342812502 979902525 /nfs/dbraw/zinc/90/25/25/979902525.db2.gz VJPIAGRIVBLTOD-YPMHNXCESA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CCCCC23CC3)ccn1 ZINC001237465666 979906285 /nfs/dbraw/zinc/90/62/85/979906285.db2.gz JQDOPSBHCXGMFJ-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(CC(=O)OC)c1 ZINC001237485432 979912284 /nfs/dbraw/zinc/91/22/84/979912284.db2.gz NOFLFHWDBATBCC-UHFFFAOYSA-N 1 0 233.311 2.020 20 30 BEEDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](C#N)C1 ZINC001237488198 979915066 /nfs/dbraw/zinc/91/50/66/979915066.db2.gz SEWIVQGYTQGETL-NSHDSACASA-N 1 0 216.284 2.046 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@]12CCC[NH2+]C2 ZINC001342895439 979932150 /nfs/dbraw/zinc/93/21/50/979932150.db2.gz BFTGWXPEGSONKP-CQSZACIVSA-N 1 0 236.359 2.087 20 30 BEEDRO CCn1cncc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001237597779 979955257 /nfs/dbraw/zinc/95/52/57/979955257.db2.gz YCNSHTQOIOGLLH-XYYAHUGASA-N 1 0 244.342 2.170 20 30 BEEDRO CC[N@H+](Cc1cn2cc(C#N)ccc2n1)C(C)C ZINC001237603033 979965902 /nfs/dbraw/zinc/96/59/02/979965902.db2.gz FPWGDUOXJQWORM-UHFFFAOYSA-N 1 0 242.326 2.436 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CC#Cc1ccccc1 ZINC001343002229 979970908 /nfs/dbraw/zinc/97/09/08/979970908.db2.gz QQJGNERMCYCSFH-GDBMZVCRSA-N 1 0 243.350 2.443 20 30 BEEDRO CC[N@H+](Cc1cn2cc(C#N)ccc2n1)C1CC1 ZINC001237609125 979973636 /nfs/dbraw/zinc/97/36/36/979973636.db2.gz NPNFKLWHIJEYHU-UHFFFAOYSA-N 1 0 240.310 2.190 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC001343141513 980011907 /nfs/dbraw/zinc/01/19/07/980011907.db2.gz VZQCQDQCCIPOQC-UHFFFAOYSA-N 1 0 219.332 2.305 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC001343122472 980014022 /nfs/dbraw/zinc/01/40/22/980014022.db2.gz GEIXHRHPOFWRAV-STQMWFEESA-N 1 0 240.391 2.421 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]CCc1ccc(F)cc1 ZINC001343221599 980042175 /nfs/dbraw/zinc/04/21/75/980042175.db2.gz AGTMZAVSGWWUSX-OAHLLOKOSA-N 1 0 249.329 2.386 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2cnn(C)c2)cc1 ZINC001343309735 980064416 /nfs/dbraw/zinc/06/44/16/980064416.db2.gz SINAALMPYOSNCV-LBPRGKRZSA-N 1 0 239.322 2.198 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC=C ZINC001273486602 980096607 /nfs/dbraw/zinc/09/66/07/980096607.db2.gz KQXZGHLIONTTTI-ZIAGYGMSSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1c[nH]ccc1=O ZINC001237847603 980097675 /nfs/dbraw/zinc/09/76/75/980097675.db2.gz GNMQKQREYLTKDE-UHFFFAOYSA-N 1 0 220.316 2.163 20 30 BEEDRO Cc1ccc(CCC[NH+](C)C)cc1C#N ZINC001250164595 980121381 /nfs/dbraw/zinc/12/13/81/980121381.db2.gz QXGYZTMMJXJMJB-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO C[NH+](C)CCCc1ccc(F)cc1C#N ZINC001250164606 980122034 /nfs/dbraw/zinc/12/20/34/980122034.db2.gz LHSJLCKYFBWMQR-UHFFFAOYSA-N 1 0 206.264 2.192 20 30 BEEDRO COc1ccc(CCC[NH+](C)C)cc1C#N ZINC001250163759 980126376 /nfs/dbraw/zinc/12/63/76/980126376.db2.gz DOYGOMQNTGRNFI-UHFFFAOYSA-N 1 0 218.300 2.061 20 30 BEEDRO C=CCO[C@@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC001343544622 980147650 /nfs/dbraw/zinc/14/76/50/980147650.db2.gz RRPXAOYTCRFQSN-CYBMUJFWSA-N 1 0 218.300 2.171 20 30 BEEDRO CC(C)[N@H+](C)CCNc1cc(F)ccc1C#N ZINC001185179316 980188845 /nfs/dbraw/zinc/18/88/45/980188845.db2.gz ADRXCCUHWJJACW-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(Cl)c(C#N)c1 ZINC001238190919 980216955 /nfs/dbraw/zinc/21/69/55/980216955.db2.gz GZRMYHNVNFRIEV-UHFFFAOYSA-N 1 0 218.687 2.277 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC001278220715 980242174 /nfs/dbraw/zinc/24/21/74/980242174.db2.gz IEHQVIDHJYNHBB-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\CC)[C@H]1C ZINC001278235222 980267481 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ZINC001198801308 982847878 /nfs/dbraw/zinc/84/78/78/982847878.db2.gz QHTMETNXPHDOOY-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC001199117733 982889373 /nfs/dbraw/zinc/88/93/73/982889373.db2.gz LCSPDFVSZQYNML-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)C=C(C)C)CC1 ZINC001199187360 982892349 /nfs/dbraw/zinc/89/23/49/982892349.db2.gz QECVKNJZJQTFTO-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)CCCCC)CC1 ZINC001199335450 982916343 /nfs/dbraw/zinc/91/63/43/982916343.db2.gz WIIQTQUXDZQEIW-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C=C(\C)CC)C2 ZINC001110534972 982936015 /nfs/dbraw/zinc/93/60/15/982936015.db2.gz FEFNCMBBJQLWJZ-VVWFOINXSA-N 1 0 248.370 2.250 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)/C=C(/C)CC)CC1 ZINC001200405260 982959747 /nfs/dbraw/zinc/95/97/47/982959747.db2.gz DXELERIWPMEKSX-QXMHVHEDSA-N 1 0 236.359 2.109 20 30 BEEDRO COc1ccnc(-c2ccc(C[NH3+])cc2)c1C#N ZINC001241912117 983126932 /nfs/dbraw/zinc/12/69/32/983126932.db2.gz XFUYPQAIKVWSFB-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO COc1cc(-c2ccc(C[NH3+])cc2)ncc1C#N ZINC001241911706 983127448 /nfs/dbraw/zinc/12/74/48/983127448.db2.gz NVZMJKWJLYXVCI-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#Cc1cccc(-c2ncc(C)cc2C[NH3+])c1 ZINC001241917909 983138623 /nfs/dbraw/zinc/13/86/23/983138623.db2.gz ZPOBKEFLKGVNNW-UHFFFAOYSA-N 1 0 222.291 2.497 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC001354320098 983279824 /nfs/dbraw/zinc/27/98/24/983279824.db2.gz YRGLJAMRAXAVEW-VXGBXAGGSA-N 1 0 226.364 2.078 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC001252078386 983300030 /nfs/dbraw/zinc/30/00/30/983300030.db2.gz PNXQQGJVYSCDSH-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C/C(=C/c1ccccc1)C[N@H+](C)C[C@H](O)CC#N ZINC001354711769 983347990 /nfs/dbraw/zinc/34/79/90/983347990.db2.gz SUEVQJZZEQOHQJ-VSKPTYQZSA-N 1 0 244.338 2.296 20 30 BEEDRO C/C(=C\c1ccccc1)C[N@H+](C)C[C@H](O)CC#N ZINC001354711756 983348380 /nfs/dbraw/zinc/34/83/80/983348380.db2.gz SUEVQJZZEQOHQJ-NRMKIYEFSA-N 1 0 244.338 2.296 20 30 BEEDRO CC(C)CC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201614951 983376496 /nfs/dbraw/zinc/37/64/96/983376496.db2.gz QEEFNHBBCZRQCN-NSHDSACASA-N 1 0 225.357 2.307 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC[NH2+]C)C(C)C ZINC001354865164 983378386 /nfs/dbraw/zinc/37/83/86/983378386.db2.gz OLOPDOPUCFEURI-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO CSCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201680694 983391568 /nfs/dbraw/zinc/39/15/68/983391568.db2.gz LIFZHYWUHKNRNI-JTQLQIEISA-N 1 0 243.397 2.014 20 30 BEEDRO C=CCO[C@H]1CO[C@@]2(C1)CCC[N@@H+](CCC)C2 ZINC001201641304 983394565 /nfs/dbraw/zinc/39/45/65/983394565.db2.gz KFBLUQUWEZETQX-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO CCCC[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC001201717498 983425140 /nfs/dbraw/zinc/42/51/40/983425140.db2.gz SYYRUOMUJYFAJE-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO CCCCCCC[NH+]1CC(C(=O)OCC)C1 ZINC001201788128 983487532 /nfs/dbraw/zinc/48/75/32/983487532.db2.gz XYMCJMZATJOLBH-UHFFFAOYSA-N 1 0 227.348 2.452 20 30 BEEDRO N#Cc1cncc(-c2ccc3[nH+]c(N)[nH]c3c2)c1 ZINC001242273176 983494874 /nfs/dbraw/zinc/49/48/74/983494874.db2.gz RLIFQXVEYFUWBJ-UHFFFAOYSA-N 1 0 235.250 2.079 20 30 BEEDRO C#Cc1ccc(-c2cc(C[NH3+])ccn2)cc1 ZINC001242291982 983518399 /nfs/dbraw/zinc/51/83/99/983518399.db2.gz JDMWWIWXPWPSRF-UHFFFAOYSA-N 1 0 208.264 2.189 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CCCCC[NH3+] ZINC001355863797 983542337 /nfs/dbraw/zinc/54/23/37/983542337.db2.gz NVKPVKZJWNIGEZ-CYBMUJFWSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccn(CC)n1 ZINC001202110458 983579953 /nfs/dbraw/zinc/57/99/53/983579953.db2.gz BJJMNVWQVOKOPF-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=CCCCC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC001202261056 983607241 /nfs/dbraw/zinc/60/72/41/983607241.db2.gz PJNPNTUITDUHJH-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001356455015 983608953 /nfs/dbraw/zinc/60/89/53/983608953.db2.gz XQUVSVMOSVEVSU-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)N1CCC([NH2+]CC=C)CC1 ZINC001202245302 983613118 /nfs/dbraw/zinc/61/31/18/983613118.db2.gz HBHCBHBHSBRPRM-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO FC(F)(F)CC[NH+]1CCC(S)CC1 ZINC001202346041 983627633 /nfs/dbraw/zinc/62/76/33/983627633.db2.gz IDSMKTQQMJETQP-UHFFFAOYSA-N 1 0 213.268 2.333 20 30 BEEDRO CC(C)CNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849045415 983630253 /nfs/dbraw/zinc/63/02/53/983630253.db2.gz YVFXHIRADCIUAU-UHFFFAOYSA-N 1 0 244.342 2.023 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)C ZINC001356582089 983635210 /nfs/dbraw/zinc/63/52/10/983635210.db2.gz AJNPXGKFWOQPPG-MNOVXSKESA-N 1 0 207.321 2.454 20 30 BEEDRO CC[C@H](COCC1CC1)[NH2+]C[C@@H](C#N)CCC#N ZINC001356619013 983644250 /nfs/dbraw/zinc/64/42/50/983644250.db2.gz NZBZBNHIYHZPAJ-ZIAGYGMSSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](NC(=O)C=C(C)C)C12CCC2 ZINC001202393755 983653407 /nfs/dbraw/zinc/65/34/07/983653407.db2.gz BPIBSYBKZSBOIE-CHWSQXEVSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C=C(C)C)C12CCC2 ZINC001202393758 983654087 /nfs/dbraw/zinc/65/40/87/983654087.db2.gz BPIBSYBKZSBOIE-STQMWFEESA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC)C1 ZINC001357193660 983672002 /nfs/dbraw/zinc/67/20/02/983672002.db2.gz IPEUYYFHAMGUTJ-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC1(C)CCCC1 ZINC001357259936 983683626 /nfs/dbraw/zinc/68/36/26/983683626.db2.gz VLXFXLSNNHVBCZ-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001252116885 983700743 /nfs/dbraw/zinc/70/07/43/983700743.db2.gz ZQRIYYCYJMNXNM-OAHLLOKOSA-N 1 0 231.339 2.179 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](CCCCC)C1 ZINC001490529676 983728523 /nfs/dbraw/zinc/72/85/23/983728523.db2.gz JUHYMCPQIFUWKZ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CCCC)C1 ZINC001490558350 983733538 /nfs/dbraw/zinc/73/35/38/983733538.db2.gz GBNUMZBXHXVEFX-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\CC ZINC001490785114 983739940 /nfs/dbraw/zinc/73/99/40/983739940.db2.gz NROURMPUBUASRW-ITRSLCTRSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC1(C)C ZINC001357892104 983801287 /nfs/dbraw/zinc/80/12/87/983801287.db2.gz PVNBXMXRGOQFQZ-NWDGAFQWSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC001252547983 983813757 /nfs/dbraw/zinc/81/37/57/983813757.db2.gz NXDRGHOMDCFCOB-JTQLQIEISA-N 1 0 237.265 2.198 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1C2CCCC1CCC2 ZINC001252559428 983818303 /nfs/dbraw/zinc/81/83/03/983818303.db2.gz XBEPYDAUNQJAGO-BPCQOVAHSA-N 1 0 209.333 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1C2CCCC1CCC2 ZINC001252559432 983818408 /nfs/dbraw/zinc/81/84/08/983818408.db2.gz XBEPYDAUNQJAGO-WXRRBKDZSA-N 1 0 209.333 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC001252568879 983824295 /nfs/dbraw/zinc/82/42/95/983824295.db2.gz ODLYPESASBQXOP-IINYFYTJSA-N 1 0 245.326 2.151 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC001252572583 983828210 /nfs/dbraw/zinc/82/82/10/983828210.db2.gz SGCFSYJJCPPDGS-RISCZKNCSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(C)cc1C ZINC001252572717 983828319 /nfs/dbraw/zinc/82/83/19/983828319.db2.gz TXCLYSCIQBUERY-HNNXBMFYSA-N 1 0 233.355 2.373 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCc1ccc(F)cc1 ZINC001252573540 983830136 /nfs/dbraw/zinc/83/01/36/983830136.db2.gz FVROANVOPCLCEY-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC001252576729 983831733 /nfs/dbraw/zinc/83/17/33/983831733.db2.gz NKAQDWTYKLYKPB-GJZGRUSLSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc2ccncc21 ZINC001252577666 983832602 /nfs/dbraw/zinc/83/26/02/983832602.db2.gz MDIVXXJBPDXTOZ-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001358173339 983835343 /nfs/dbraw/zinc/83/53/43/983835343.db2.gz QSSZPKJFXGWFAK-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1cccc(OC)c1 ZINC001252586771 983836762 /nfs/dbraw/zinc/83/67/62/983836762.db2.gz MHUYCUXKFNHKEG-CQSZACIVSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H](F)C1 ZINC001252593978 983843487 /nfs/dbraw/zinc/84/34/87/983843487.db2.gz PZGVYZZIWVGQMD-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@H](O)CCC=C)c1 ZINC001252617245 983852343 /nfs/dbraw/zinc/85/23/43/983852343.db2.gz BIOGRRCITPDTDV-OAHLLOKOSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC001252617947 983853708 /nfs/dbraw/zinc/85/37/08/983853708.db2.gz NCZRUNUJZROLCJ-MNOVXSKESA-N 1 0 233.302 2.481 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001252623834 983856360 /nfs/dbraw/zinc/85/63/60/983856360.db2.gz RILUOFIENQBKRA-HUUCEWRRSA-N 1 0 249.329 2.210 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC001358354392 983856648 /nfs/dbraw/zinc/85/66/48/983856648.db2.gz QPXKHWBTRAPVGE-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)CCCC=C ZINC001358506809 983881899 /nfs/dbraw/zinc/88/18/99/983881899.db2.gz YJPLCKMZVTZSSL-ZDUSSCGKSA-N 1 0 238.375 2.485 20 30 BEEDRO N#Cc1cc(F)ccc1-c1cccc(C[NH3+])n1 ZINC001242581306 983893724 /nfs/dbraw/zinc/89/37/24/983893724.db2.gz OPGQUDWLPYKBGB-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000878598176 983964143 /nfs/dbraw/zinc/96/41/43/983964143.db2.gz YPHKQENLSYHAGW-UTLUCORTSA-N 1 0 239.281 2.488 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000826100218 983969017 /nfs/dbraw/zinc/96/90/17/983969017.db2.gz NFMFPGVADJDZPM-JKSUJKDBSA-N 1 0 241.334 2.325 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1CC=CC1 ZINC001568523763 984015083 /nfs/dbraw/zinc/01/50/83/984015083.db2.gz FNZWOXCOTCIMKK-ZIAGYGMSSA-N 1 0 248.370 2.013 20 30 BEEDRO N#CCc1ccnc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242673355 984039325 /nfs/dbraw/zinc/03/93/25/984039325.db2.gz AECWNSMYSWZSND-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO N#Cc1ncc(F)cc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242675116 984040837 /nfs/dbraw/zinc/04/08/37/984040837.db2.gz DNOACJPZSHLGHD-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO N#CCc1cncc(-c2ccc3c(c2)C[NH2+]C3)c1 ZINC001242675916 984045426 /nfs/dbraw/zinc/04/54/26/984045426.db2.gz MLJJGYMOAHFKHE-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO C[C@@H]1CC(=O)C=C(c2cc(N)cc[nH+]2)C1 ZINC001242736343 984080052 /nfs/dbraw/zinc/08/00/52/984080052.db2.gz GNAZQDDTAZEJBF-QMMMGPOBSA-N 1 0 202.257 2.046 20 30 BEEDRO Cc1cc(-c2cccc(C[NH3+])n2)ccc1C#N ZINC001242763094 984134677 /nfs/dbraw/zinc/13/46/77/984134677.db2.gz FJSJYSXBIGAVNF-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=CCN1CC[C@@]2(CC[N@@H+](C3CCCC3)C2)C1=O ZINC001274022487 984236700 /nfs/dbraw/zinc/23/67/00/984236700.db2.gz HRWPCUKMLJGQIO-HNNXBMFYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1(C)CC1)C2 ZINC001110830652 984302205 /nfs/dbraw/zinc/30/22/05/984302205.db2.gz HSZGHOGDXHMKMY-UPJWGTAASA-N 1 0 248.370 2.084 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691403838 984318323 /nfs/dbraw/zinc/31/83/23/984318323.db2.gz OZTNNPGUQVGARR-RAIGVLPGSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691403835 984318545 /nfs/dbraw/zinc/31/85/45/984318545.db2.gz OZTNNPGUQVGARR-KGYLQXTDSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)C(C)(C)C ZINC001274526595 984350936 /nfs/dbraw/zinc/35/09/36/984350936.db2.gz PAARJUSMTIITJM-VOTSOKGWSA-N 1 0 238.375 2.261 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncc(C#N)nc2C)c1 ZINC001242994116 984356464 /nfs/dbraw/zinc/35/64/64/984356464.db2.gz AKTJTWOBCQBTOR-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cccc(C#N)n2)c1 ZINC001242994901 984359431 /nfs/dbraw/zinc/35/94/31/984359431.db2.gz UKPIEAVYTNGNDU-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C/C=C\c1ccccc1 ZINC000717909584 984365948 /nfs/dbraw/zinc/36/59/48/984365948.db2.gz VGWHGKAPXFAXKI-XMELGKRDSA-N 1 0 229.323 2.064 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000717958861 984369855 /nfs/dbraw/zinc/36/98/55/984369855.db2.gz VAKCRVTXHJPHPA-OAHLLOKOSA-N 1 0 231.339 2.167 20 30 BEEDRO C#C[C@@H](CO)[NH2+][C@H](C)CCCCCCC ZINC000718185321 984405244 /nfs/dbraw/zinc/40/52/44/984405244.db2.gz QAJQZJVLKWRMCL-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]CCC ZINC001274913569 984406413 /nfs/dbraw/zinc/40/64/13/984406413.db2.gz QIVDRLJDKHPNRO-DGCLKSJQSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC001441398295 984479164 /nfs/dbraw/zinc/47/91/64/984479164.db2.gz SJAKZSBXGSKWLB-CQSZACIVSA-N 1 0 244.338 2.078 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C\C ZINC001275375805 984544486 /nfs/dbraw/zinc/54/44/86/984544486.db2.gz JPXXDMNFHZKMKG-CUOXCHRPSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C/C ZINC001275375807 984545100 /nfs/dbraw/zinc/54/51/00/984545100.db2.gz JPXXDMNFHZKMKG-OXJBHRBVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C=C1CCC1 ZINC001275376438 984546824 /nfs/dbraw/zinc/54/68/24/984546824.db2.gz NKLWAUCZECJIFR-NWDGAFQWSA-N 1 0 236.359 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C=C1CCC1 ZINC001275376439 984548721 /nfs/dbraw/zinc/54/87/21/984548721.db2.gz NKLWAUCZECJIFR-RYUDHWBXSA-N 1 0 236.359 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C=C1CCC1 ZINC001275376440 984549339 /nfs/dbraw/zinc/54/93/39/984549339.db2.gz NKLWAUCZECJIFR-VXGBXAGGSA-N 1 0 236.359 2.156 20 30 BEEDRO CC(C)c1ccc(C#N)c(C2=CC[NH2+]C2)n1 ZINC001243109150 984561304 /nfs/dbraw/zinc/56/13/04/984561304.db2.gz VJDCLOQHOMPKOJ-UHFFFAOYSA-N 1 0 213.284 2.063 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001275459189 984568728 /nfs/dbraw/zinc/56/87/28/984568728.db2.gz DXPFTFNCPGQTNS-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC001275462628 984570684 /nfs/dbraw/zinc/57/06/84/984570684.db2.gz WDHMIMFZSYLJIU-MNOVXSKESA-N 1 0 226.364 2.090 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001275479611 984571284 /nfs/dbraw/zinc/57/12/84/984571284.db2.gz BTZQBVUQLSQRHQ-RYUDHWBXSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)/C=C/C(C)(C)C ZINC001275519686 984593839 /nfs/dbraw/zinc/59/38/39/984593839.db2.gz BHROPOQRIIHBFQ-BCPZQOPPSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001275568365 984611595 /nfs/dbraw/zinc/61/15/95/984611595.db2.gz ZZWSRZOUPZLEPI-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC ZINC001275772482 984646397 /nfs/dbraw/zinc/64/63/97/984646397.db2.gz GMVLSJBZSSUMJO-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001275947707 984743110 /nfs/dbraw/zinc/74/31/10/984743110.db2.gz XZXAEUBUNKRUJJ-OLZOCXBDSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)/C=C\CCC ZINC001448870854 984822893 /nfs/dbraw/zinc/82/28/93/984822893.db2.gz DAAGBUOVBZVWAI-KTKRTIGZSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[C@@H]1C ZINC001276174877 984824417 /nfs/dbraw/zinc/82/44/17/984824417.db2.gz YFIORPBYRRERDT-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(Cl)C[NH2+]CC1(NC(C)=O)CCCCC1 ZINC001276176510 984824956 /nfs/dbraw/zinc/82/49/56/984824956.db2.gz PTLKMFAGVYDNDR-UHFFFAOYSA-N 1 0 244.766 2.168 20 30 BEEDRO C[C@@H]1CCC[N@H+](C2CCC(C#N)CC2)[C@H]1CO ZINC001256964741 984844297 /nfs/dbraw/zinc/84/42/97/984844297.db2.gz BWQQLQPBGHLNMF-RYSNWHEDSA-N 1 0 236.359 2.162 20 30 BEEDRO N#CC1CCC([NH+]2CCC3(COC3)CC2)CC1 ZINC001256964925 984846660 /nfs/dbraw/zinc/84/66/60/984846660.db2.gz HVDSZKQMSHVAOX-UHFFFAOYSA-N 1 0 234.343 2.181 20 30 BEEDRO N#CC1CCC([N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)CC1 ZINC001256971068 984847612 /nfs/dbraw/zinc/84/76/12/984847612.db2.gz AWQMETNQKZCMKZ-SSYPOUIUSA-N 1 0 222.307 2.216 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H](C)CCC ZINC001257310223 984883296 /nfs/dbraw/zinc/88/32/96/984883296.db2.gz ACTAZFKWMYZZLA-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO CC[C@H](C)[NH2+]CCOc1ccccc1C#N ZINC001257432560 985005189 /nfs/dbraw/zinc/00/51/89/985005189.db2.gz DBUWHYLWTDXDBL-NSHDSACASA-N 1 0 218.300 2.325 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C1CC1)C1CCCC1 ZINC000685989364 985024697 /nfs/dbraw/zinc/02/46/97/985024697.db2.gz DZTAKRBSBMLSHJ-NSHDSACASA-N 1 0 222.332 2.322 20 30 BEEDRO CS[C@@H]1CCCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000685989368 985027755 /nfs/dbraw/zinc/02/77/55/985027755.db2.gz FRAGZVLRKSTJJR-VXGBXAGGSA-N 1 0 242.388 2.133 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000686673900 985196129 /nfs/dbraw/zinc/19/61/29/985196129.db2.gz NSFNODUSENUWNN-ZDUSSCGKSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCC[N@@H+](C)Cc1cnccn1 ZINC000686675238 985197475 /nfs/dbraw/zinc/19/74/75/985197475.db2.gz LMWAKZDZAPFDOV-UHFFFAOYSA-N 1 0 217.316 2.102 20 30 BEEDRO C#CCCCCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000686682243 985202084 /nfs/dbraw/zinc/20/20/84/985202084.db2.gz MOAGGXUSUURCTG-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CCOCC3)C[C@H](C1)C2 ZINC001257889987 985293336 /nfs/dbraw/zinc/29/33/36/985293336.db2.gz PLSYTLNEZRLPAS-PBWFPOADSA-N 1 0 221.344 2.454 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1N ZINC001258038934 985310124 /nfs/dbraw/zinc/31/01/24/985310124.db2.gz HHRVLKZGIJSURJ-YNEHKIRRSA-N 1 0 228.380 2.051 20 30 BEEDRO CCCCCCC[C@H](C)[N@H+](C)CC(=O)NC ZINC001258044296 985344791 /nfs/dbraw/zinc/34/47/91/985344791.db2.gz LHYWJBRQBVJGPF-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC001459505717 985519225 /nfs/dbraw/zinc/51/92/25/985519225.db2.gz DCXNJAKJDXWAKM-YNEHKIRRSA-N 1 0 209.333 2.288 20 30 BEEDRO N#CCc1ccnc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243891686 985553103 /nfs/dbraw/zinc/55/31/03/985553103.db2.gz DJHGGYZEQSMHCA-OWOJBTEDSA-N 1 0 227.311 2.160 20 30 BEEDRO Cc1cnc(/C=C/C2CC[NH2+]CC2)cc1C#N ZINC001243893128 985563125 /nfs/dbraw/zinc/56/31/25/985563125.db2.gz FARSHPJYTNHRBH-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO Cc1ccc(C#N)nc1/C=C/C1CC[NH2+]CC1 ZINC001243893280 985563305 /nfs/dbraw/zinc/56/33/05/985563305.db2.gz RHYDJEJUDBTVNB-HWKANZROSA-N 1 0 227.311 2.275 20 30 BEEDRO Cc1nc(/C=C/C2CC[NH2+]CC2)ccc1C#N ZINC001243893985 985571543 /nfs/dbraw/zinc/57/15/43/985571543.db2.gz XRMUFZAUXRINJE-DUXPYHPUSA-N 1 0 227.311 2.275 20 30 BEEDRO Cc1ccc(/C=C/C2CC[NH2+]CC2)nc1C#N ZINC001243894375 985574309 /nfs/dbraw/zinc/57/43/09/985574309.db2.gz XKVAOKSOPYSTJV-HWKANZROSA-N 1 0 227.311 2.275 20 30 BEEDRO Cc1ccc(/C=C/C2CC[NH2+]CC2)c(C#N)n1 ZINC001243896933 985582615 /nfs/dbraw/zinc/58/26/15/985582615.db2.gz SQHSAKOQZQISCX-HWKANZROSA-N 1 0 227.311 2.275 20 30 BEEDRO N#CCc1ccc(/C=C/C2CC[NH2+]CC2)cn1 ZINC001243897379 985586722 /nfs/dbraw/zinc/58/67/22/985586722.db2.gz XIKRHQDNRVCIQV-OWOJBTEDSA-N 1 0 227.311 2.160 20 30 BEEDRO CSCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC001258199168 985598557 /nfs/dbraw/zinc/59/85/57/985598557.db2.gz UWNXGYUWZDTJQI-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO CC12CC(C[N@@H+]3CCC[C@](C)(C#N)C3)(C1)CO2 ZINC001459808367 985632638 /nfs/dbraw/zinc/63/26/38/985632638.db2.gz NUUHRQPJNOFCFI-IYXRBSQSSA-N 1 0 234.343 2.181 20 30 BEEDRO COC(=O)c1cc(C#N)cc(C2=C[NH2+]CCC2)c1 ZINC001243949331 985634519 /nfs/dbraw/zinc/63/45/19/985634519.db2.gz BENXECPBEVFOTJ-UHFFFAOYSA-N 1 0 242.278 2.069 20 30 BEEDRO Cc1cc(C#N)ccc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000688464798 985651524 /nfs/dbraw/zinc/65/15/24/985651524.db2.gz DNFCDWJZCLFBTQ-AWEZNQCLSA-N 1 0 243.354 2.255 20 30 BEEDRO N#Cc1nc2[nH]ccc2cc1C1=C[NH2+]CCC1 ZINC001243950632 985651534 /nfs/dbraw/zinc/65/15/34/985651534.db2.gz JGRQWRUBXJHLTN-UHFFFAOYSA-N 1 0 224.267 2.110 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)CC#N ZINC001459970684 985684283 /nfs/dbraw/zinc/68/42/83/985684283.db2.gz RBKQGNBYANLQTA-XQQFMLRXSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cn(CC)nn1 ZINC000717916996 985759562 /nfs/dbraw/zinc/75/95/62/985759562.db2.gz CAAPLKFYHZZQBN-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCO[C@H]1CC1(F)F ZINC000689066885 985798358 /nfs/dbraw/zinc/79/83/58/985798358.db2.gz NTBAKEVVVILTAF-NSHDSACASA-N 1 0 246.301 2.282 20 30 BEEDRO N#Cc1cc(-c2cccc(C[NH3+])c2)ccc1N ZINC001244112572 985821981 /nfs/dbraw/zinc/82/19/81/985821981.db2.gz OKBOQBJGJOAABW-UHFFFAOYSA-N 1 0 223.279 2.266 20 30 BEEDRO N#Cc1cc(-c2ccccc2C[NH3+])ccc1N ZINC001244115174 985825236 /nfs/dbraw/zinc/82/52/36/985825236.db2.gz SDWMNNHECOWGGJ-UHFFFAOYSA-N 1 0 223.279 2.266 20 30 BEEDRO N#Cc1cc(-c2ccc3c[nH+]cn3c2)ccc1N ZINC001244114955 985825706 /nfs/dbraw/zinc/82/57/06/985825706.db2.gz YEHKDERNPWTTKW-UHFFFAOYSA-N 1 0 234.262 2.455 20 30 BEEDRO C#CC[N@H+](CCc1ccccc1)C1CSC1 ZINC001460375940 985842132 /nfs/dbraw/zinc/84/21/32/985842132.db2.gz LCBCEUUPOIQBLG-UHFFFAOYSA-N 1 0 231.364 2.280 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2([C@H]3CCCO3)CCC2)o1 ZINC001460952445 985956558 /nfs/dbraw/zinc/95/65/58/985956558.db2.gz ZPADBUFXIAJZEY-CYBMUJFWSA-N 1 0 246.310 2.343 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@H](c2ccccc2)CC1 ZINC001460949538 985958865 /nfs/dbraw/zinc/95/88/65/985958865.db2.gz OWNPIZROTFMEKH-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO N#Cc1cnccc1-c1c[nH+]cc2cc[nH]c21 ZINC001244333514 985967986 /nfs/dbraw/zinc/96/79/86/985967986.db2.gz IELJDLLEZKLBSO-UHFFFAOYSA-N 1 0 220.235 2.497 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2ccncc2C#N)nc1 ZINC001244332935 985970728 /nfs/dbraw/zinc/97/07/28/985970728.db2.gz IRNPTTPONVYJFN-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO N#Cc1cnccc1-c1cccc(C[NH3+])c1 ZINC001244334893 985975675 /nfs/dbraw/zinc/97/56/75/985975675.db2.gz TVACUBNHOHVHFZ-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001258726378 986069398 /nfs/dbraw/zinc/06/93/98/986069398.db2.gz RUVHGHHSHSGXAY-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)C(C)(C)C ZINC001276345972 986038149 /nfs/dbraw/zinc/03/81/49/986038149.db2.gz VFBPAQDOHQDJPV-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCOC(=O)C(=C)C ZINC001258718608 986044499 /nfs/dbraw/zinc/04/44/99/986044499.db2.gz RXGPPPJGKGTLCA-LLVKDONJSA-N 1 0 211.305 2.050 20 30 BEEDRO C=CCC[C@@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001258718022 986044703 /nfs/dbraw/zinc/04/47/03/986044703.db2.gz CPLKBZSVLBSZBV-SECBINFHSA-N 1 0 221.279 2.281 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1CC(C(=O)OC)C1 ZINC001258721385 986052927 /nfs/dbraw/zinc/05/29/27/986052927.db2.gz UPCNHYSCQPYNTD-UNXYVOJBSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cncnc1C ZINC001258724404 986058545 /nfs/dbraw/zinc/05/85/45/986058545.db2.gz VYCPUCJLJCUVGG-JTQLQIEISA-N 1 0 205.305 2.229 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)c1cccnc1 ZINC001258725334 986063743 /nfs/dbraw/zinc/06/37/43/986063743.db2.gz IZGLNJBGENPQGP-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001258732668 986075201 /nfs/dbraw/zinc/07/52/01/986075201.db2.gz ORVFOUQKDVCVEU-YVECIDJPSA-N 1 0 209.333 2.308 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN[C@H]1CC[NH2+][C@@H]1C ZINC001579554424 986085658 /nfs/dbraw/zinc/08/56/58/986085658.db2.gz YNQCKNDIHKMAHD-DOMZBBRYSA-N 1 0 243.354 2.015 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCC(N2CC(F)C2)CC1 ZINC001258735238 986101628 /nfs/dbraw/zinc/10/16/28/986101628.db2.gz RLYBMNWNFFZIMP-GFCCVEGCSA-N 1 0 240.366 2.459 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1OC ZINC001253578923 986130665 /nfs/dbraw/zinc/13/06/65/986130665.db2.gz JVSUMRPNHCEPNI-OCCSQVGLSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)C[N@H+](C)CCc1ccc(C)cc1 ZINC001253580626 986141163 /nfs/dbraw/zinc/14/11/63/986141163.db2.gz YYGHMCSJIZPNBD-AWEZNQCLSA-N 1 0 219.328 2.016 20 30 BEEDRO Cc1cc(N[C@H](C[NH3+])C2CCCC2)ncc1C#N ZINC001579635915 986149846 /nfs/dbraw/zinc/14/98/46/986149846.db2.gz ODEKWDCJLGLOCM-CYBMUJFWSA-N 1 0 244.342 2.191 20 30 BEEDRO C=C[C@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC001253584681 986152578 /nfs/dbraw/zinc/15/25/78/986152578.db2.gz QGKGRHOMZWYRMY-AWEZNQCLSA-N 1 0 217.312 2.198 20 30 BEEDRO Cc1cc(N[C@@H](C[NH3+])C2CCCC2)ncc1C#N ZINC001579635916 986152823 /nfs/dbraw/zinc/15/28/23/986152823.db2.gz ODEKWDCJLGLOCM-ZDUSSCGKSA-N 1 0 244.342 2.191 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1cccc(F)c1F ZINC001253583884 986153283 /nfs/dbraw/zinc/15/32/83/986153283.db2.gz AUFXIFRXJMFPKN-NSHDSACASA-N 1 0 241.281 2.334 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)C=C)C1CCCCC1 ZINC001253586325 986167594 /nfs/dbraw/zinc/16/75/94/986167594.db2.gz IMAJTGGNRXUEHI-ZDUSSCGKSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1 ZINC001253586859 986170414 /nfs/dbraw/zinc/17/04/14/986170414.db2.gz TXYFAIJFXAQKNJ-KGLIPLIRSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C[C@@H](O)CNc1ccccc1C[NH+]1CCCC1 ZINC001253589284 986190274 /nfs/dbraw/zinc/19/02/74/986190274.db2.gz MPTRNSGMZKGCGS-CQSZACIVSA-N 1 0 246.354 2.241 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCCc1ccc(Cl)cc1 ZINC001253598061 986222803 /nfs/dbraw/zinc/22/28/03/986222803.db2.gz MZZPRRHDUYJECA-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(Cl)ccc(C)c1F ZINC001253598384 986227069 /nfs/dbraw/zinc/22/70/69/986227069.db2.gz SFFTZWVPXKJFPV-SECBINFHSA-N 1 0 243.709 2.424 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1c[nH]c2c1cccc2C ZINC001253598509 986229366 /nfs/dbraw/zinc/22/93/66/986229366.db2.gz VCWPDJFILGYDQA-ZDUSSCGKSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2ccc(C)cc21 ZINC001253602122 986252298 /nfs/dbraw/zinc/25/22/98/986252298.db2.gz CLIHSNOWJNUERH-OCCSQVGLSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC001253603299 986256897 /nfs/dbraw/zinc/25/68/97/986256897.db2.gz URYCMWNVNIZEIZ-WOPDTQHZSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccc(C)cc2)CC1 ZINC001253603053 986258925 /nfs/dbraw/zinc/25/89/25/986258925.db2.gz QRDDIDAYYWQCFA-ZDUSSCGKSA-N 1 0 217.312 2.121 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccccc2OC)CCC1 ZINC001253605894 986264589 /nfs/dbraw/zinc/26/45/89/986264589.db2.gz AJKYLPPWFCUFIR-GFCCVEGCSA-N 1 0 247.338 2.211 20 30 BEEDRO C=CCOc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C=C ZINC001253608046 986269586 /nfs/dbraw/zinc/26/95/86/986269586.db2.gz HMDCXJXWCAZMCA-OLZOCXBDSA-N 1 0 247.338 2.449 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC001253607673 986269736 /nfs/dbraw/zinc/26/97/36/986269736.db2.gz CPOQLXZUGSPDOT-ZDUSSCGKSA-N 1 0 217.312 2.202 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1CCC(C(C)C)CC1 ZINC001253609073 986274768 /nfs/dbraw/zinc/27/47/68/986274768.db2.gz PGLAZJVPXOMTJL-WXRRBKDZSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCN1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001258824968 986289527 /nfs/dbraw/zinc/28/95/27/986289527.db2.gz YHFFHKWRYARSCY-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(Cl)cc1O ZINC001462126230 986289763 /nfs/dbraw/zinc/28/97/63/986289763.db2.gz IJFFAKRANKQJFE-LLVKDONJSA-N 1 0 241.718 2.336 20 30 BEEDRO N#Cc1c(Cl)cccc1-c1cc(C[NH3+])ncn1 ZINC001244712855 986320457 /nfs/dbraw/zinc/32/04/57/986320457.db2.gz HTJMDYQFOWMPJH-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO C[NH2+]Cc1cc(-c2cccc(C#N)c2C)ncn1 ZINC001244814192 986351208 /nfs/dbraw/zinc/35/12/08/986351208.db2.gz OIQYZCAPIYMZJV-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@]1(C)CCCCO1 ZINC001462326045 986351748 /nfs/dbraw/zinc/35/17/48/986351748.db2.gz HJNQEBJPLUZBOO-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC2CC(OC)C2)CC1 ZINC001462556973 986435561 /nfs/dbraw/zinc/43/55/61/986435561.db2.gz WIJADBDBIFQKRM-DUPPUEJBSA-N 1 0 221.344 2.193 20 30 BEEDRO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001096707360 986489697 /nfs/dbraw/zinc/48/96/97/986489697.db2.gz BGCWQVAARGLUAH-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C2 ZINC001254645210 986695333 /nfs/dbraw/zinc/69/53/33/986695333.db2.gz AZGWIORCMRRJCW-KHMAMNHCSA-N 1 0 247.386 2.284 20 30 BEEDRO CC(C)(C)CN1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001254647274 986700669 /nfs/dbraw/zinc/70/06/69/986700669.db2.gz BSAWXQOXKXGCNZ-MJBXVCDLSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001254650112 986703125 /nfs/dbraw/zinc/70/31/25/986703125.db2.gz SXHZHBXEEFRELC-CEUNDQEZSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(C[C@@H]3CCO)CC2)C1 ZINC001254659469 986704193 /nfs/dbraw/zinc/70/41/93/986704193.db2.gz AHYLGMZFVAMLBN-RDBSUJKOSA-N 1 0 248.370 2.163 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254668211 986714568 /nfs/dbraw/zinc/71/45/68/986714568.db2.gz GPBGPSYLPQRBOK-UONOGXRCSA-N 1 0 229.327 2.248 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@]1(C)O ZINC001254661739 986715973 /nfs/dbraw/zinc/71/59/73/986715973.db2.gz XKIIWXRVIJCRDO-XJFOESAGSA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](COCC3CC3)C2)C1 ZINC001254674150 986718981 /nfs/dbraw/zinc/71/89/81/986718981.db2.gz UTKSADONFBJCRO-KFWWJZLASA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001254671026 986722003 /nfs/dbraw/zinc/72/20/03/986722003.db2.gz NVXZZBDBGPMMGZ-FZMZJTMJSA-N 1 0 227.311 2.173 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001254669006 986722128 /nfs/dbraw/zinc/72/21/28/986722128.db2.gz MRNQIZVNCRQMAW-RISCZKNCSA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254923081 986743895 /nfs/dbraw/zinc/74/38/95/986743895.db2.gz AENFXYRJZYRGRA-KLLCGCCRSA-N 1 0 246.354 2.416 20 30 BEEDRO CC[C@H](CC#N)Nc1cccc(C[NH3+])c1 ZINC001255152754 986821928 /nfs/dbraw/zinc/82/19/28/986821928.db2.gz ABXKZAJKIJAJPB-LLVKDONJSA-N 1 0 203.289 2.249 20 30 BEEDRO CC[C@@H](CC#N)Nc1cccc(C[NH3+])c1 ZINC001255152755 986823181 /nfs/dbraw/zinc/82/31/81/986823181.db2.gz ABXKZAJKIJAJPB-NSHDSACASA-N 1 0 203.289 2.249 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1(C2CCOCC2)CC1 ZINC001255156961 986828386 /nfs/dbraw/zinc/82/83/86/986828386.db2.gz VHYFYLLSSFUDQG-GFCCVEGCSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](CCSC)C(C)(C)O ZINC001255155196 986828712 /nfs/dbraw/zinc/82/87/12/986828712.db2.gz MXFVAKRBLSITQO-GHMZBOCLSA-N 1 0 244.404 2.161 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@@H](C(=O)OC)CC1 ZINC001255155910 986829995 /nfs/dbraw/zinc/82/99/95/986829995.db2.gz VIATWTHPWDEIEW-SDDRHHMPSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@H](CC#N)NCc1ccc(C)n1C ZINC001255154723 986830830 /nfs/dbraw/zinc/83/08/30/986830830.db2.gz GJKOSOZSJNVDOC-LLVKDONJSA-N 1 0 205.305 2.115 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](CO)Cc1ccccc1C ZINC001255159420 986832435 /nfs/dbraw/zinc/83/24/35/986832435.db2.gz WFTOPULVEUUKIA-CABCVRRESA-N 1 0 246.354 2.180 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@@H](OC)CC1 ZINC001255164166 986838929 /nfs/dbraw/zinc/83/89/29/986838929.db2.gz HQBSNKGTRLGNRN-UTUOFQBUSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001255173782 986868407 /nfs/dbraw/zinc/86/84/07/986868407.db2.gz DVTNRYFIAOCDDR-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@H](C)CCC ZINC000827823780 986934086 /nfs/dbraw/zinc/93/40/86/986934086.db2.gz TYMCCRLVXYWSLZ-CYBMUJFWSA-N 1 0 211.349 2.394 20 30 BEEDRO N#CCc1c(F)cccc1-c1ccncc1C[NH3+] ZINC001245560664 986953124 /nfs/dbraw/zinc/95/31/24/986953124.db2.gz OMZAOZVBIMAGLC-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO COC[C@@H](C)NC(=[NH2+])c1ccc(C)c(C)c1 ZINC001255566257 987017732 /nfs/dbraw/zinc/01/77/32/987017732.db2.gz FIDIPBNAUWRDLS-LLVKDONJSA-N 1 0 220.316 2.044 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NCc1cc(C#N)co1 ZINC001255953449 987095954 /nfs/dbraw/zinc/09/59/54/987095954.db2.gz RIHVODXJURQOAW-GFCCVEGCSA-N 1 0 249.358 2.361 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2cncnc2C#N)cc1 ZINC001245911324 987134856 /nfs/dbraw/zinc/13/48/56/987134856.db2.gz FTUDVYNDHBPVAK-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)CCCCC ZINC001491393509 987148388 /nfs/dbraw/zinc/14/83/88/987148388.db2.gz PTPXYHQBCHMMHA-LLVKDONJSA-N 1 0 246.782 2.414 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001491404246 987150665 /nfs/dbraw/zinc/15/06/65/987150665.db2.gz RTYRTTSPXNBZNE-VNKGSWCUSA-N 1 0 236.359 2.013 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)S ZINC001256400339 987208165 /nfs/dbraw/zinc/20/81/65/987208165.db2.gz HFEOVSAJXRPSSK-SNVBAGLBSA-N 1 0 224.373 2.311 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H]1CN(C(C)=O)C[C@H]1C ZINC001103800162 987250700 /nfs/dbraw/zinc/25/07/00/987250700.db2.gz BKYDVAIRIOCTAS-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1cc(NC2(C[NH+](C)C)CCC2)ncc1C#N ZINC001472770535 987279363 /nfs/dbraw/zinc/27/93/63/987279363.db2.gz OZMGFWGRKRPTMK-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695785331 987335548 /nfs/dbraw/zinc/33/55/48/987335548.db2.gz BNNWWHCZQDTSCZ-GHMZBOCLSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1(CO)CC1 ZINC000695785338 987336501 /nfs/dbraw/zinc/33/65/01/987336501.db2.gz BPBSFHCYJSUYML-WDEREUQCSA-N 1 0 224.348 2.065 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695785332 987336541 /nfs/dbraw/zinc/33/65/41/987336541.db2.gz BNNWWHCZQDTSCZ-MNOVXSKESA-N 1 0 212.337 2.329 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC001473170298 987357547 /nfs/dbraw/zinc/35/75/47/987357547.db2.gz HPXNOXLOLOBJJV-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO CCCCC[N@@H+](CC#CCOC)CCCOC ZINC001473375790 987408494 /nfs/dbraw/zinc/40/84/94/987408494.db2.gz TXGLYNBGJCBCKZ-UHFFFAOYSA-N 1 0 241.375 2.165 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CCC ZINC001116086024 987440908 /nfs/dbraw/zinc/44/09/08/987440908.db2.gz ZKJDZADVJVCEAW-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CCNc2ncccc2C#N)C1 ZINC001116132217 987454349 /nfs/dbraw/zinc/45/43/49/987454349.db2.gz XYYDTTBVLBGBQM-YPMHNXCESA-N 1 0 244.342 2.143 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1=NOCC1 ZINC001473637257 987511532 /nfs/dbraw/zinc/51/15/32/987511532.db2.gz DTYVUNXPYQWKEG-YPMHNXCESA-N 1 0 222.332 2.487 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1=NOCC1 ZINC001473637255 987513412 /nfs/dbraw/zinc/51/34/12/987513412.db2.gz DTYVUNXPYQWKEG-DGCLKSJQSA-N 1 0 222.332 2.487 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2csc(NCC)n2)C1 ZINC001473788604 987555928 /nfs/dbraw/zinc/55/59/28/987555928.db2.gz PQIRRYFZGQUVRH-NSHDSACASA-N 1 0 249.383 2.420 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1[C@@H]1CCN(CC=C)C1=O ZINC001473857056 987590259 /nfs/dbraw/zinc/59/02/59/987590259.db2.gz BFVPNFQWCMHOGZ-ZIAGYGMSSA-N 1 0 248.370 2.204 20 30 BEEDRO CCCCCCC[C@@H](CC)N[C@@H]1C[NH2+]C[C@@H]1N ZINC001246209126 987602360 /nfs/dbraw/zinc/60/23/60/987602360.db2.gz FJGDIEGTGSUCDV-HZSPNIEDSA-N 1 0 241.423 2.014 20 30 BEEDRO C=C(Cl)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001116525257 987615643 /nfs/dbraw/zinc/61/56/43/987615643.db2.gz CYYRPPRVAAODFR-UHFFFAOYSA-N 1 0 249.701 2.125 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC001116542329 987622174 /nfs/dbraw/zinc/62/21/74/987622174.db2.gz RKJMKUAZYYBJEW-HNNXBMFYSA-N 1 0 242.322 2.335 20 30 BEEDRO CCCn1cncc1C[NH2+]CCCCC#N ZINC001473989696 987625850 /nfs/dbraw/zinc/62/58/50/987625850.db2.gz FMXNJQPLJDVRML-UHFFFAOYSA-N 1 0 220.320 2.077 20 30 BEEDRO CCCCCCC[C@@H](CC)N[C@H]1C[NH2+]C[C@H]1O ZINC001246238207 987638417 /nfs/dbraw/zinc/63/84/17/987638417.db2.gz CYNSVVYRHZHPII-HZSPNIEDSA-N 1 0 242.407 2.048 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cccc(CC#N)n1 ZINC001116635985 987653338 /nfs/dbraw/zinc/65/33/38/987653338.db2.gz AORYFZGRKAHKEN-LBPRGKRZSA-N 1 0 246.358 2.290 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C23CCC(C#N)(CC2)CC3)CN1 ZINC001246264652 987658477 /nfs/dbraw/zinc/65/84/77/987658477.db2.gz NZFUGOJPUALYBM-DNDYEEKYSA-N 1 0 247.386 2.333 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CNCCC1=O ZINC001246297440 987690471 /nfs/dbraw/zinc/69/04/71/987690471.db2.gz ZVMSPKPIWMEDQR-STQMWFEESA-N 1 0 240.391 2.256 20 30 BEEDRO CCC[C@H](C)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246304379 987701127 /nfs/dbraw/zinc/70/11/27/987701127.db2.gz JWYPLSIVGLVVGD-JTQLQIEISA-N 1 0 248.326 2.367 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC001474543842 987756625 /nfs/dbraw/zinc/75/66/25/987756625.db2.gz GDCHQAGRUYLLRU-BEAPCOKYSA-N 1 0 245.297 2.125 20 30 BEEDRO C#C[C@@H](CO)[NH2+]C[C@@H](C)c1cccc(Cl)c1 ZINC001474648803 987777170 /nfs/dbraw/zinc/77/71/70/987777170.db2.gz OZXXPFNKMQRPIR-MFKMUULPSA-N 1 0 237.730 2.027 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001474642967 987790245 /nfs/dbraw/zinc/79/02/45/987790245.db2.gz UVQWSCSWSGDLAJ-GRYCIOLGSA-N 1 0 209.333 2.213 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CCC[C@]1(C)CC ZINC001474693742 987802320 /nfs/dbraw/zinc/80/23/20/987802320.db2.gz VIWRDBJRRVVVMH-MJBXVCDLSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001474724782 987811227 /nfs/dbraw/zinc/81/12/27/987811227.db2.gz XCARGLSIRJMMFE-NEPJUHHUSA-N 1 0 237.347 2.168 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]CCCCCCS)CN1 ZINC001246461337 987820508 /nfs/dbraw/zinc/82/05/08/987820508.db2.gz APHNAECZIWAEHT-RYUDHWBXSA-N 1 0 230.421 2.207 20 30 BEEDRO COC1(C=[NH+]n2cnc3ccccc32)CCC1 ZINC001117483359 987841667 /nfs/dbraw/zinc/84/16/67/987841667.db2.gz KBWFYGKNRMBFAP-UHFFFAOYSA-N 1 0 229.283 2.439 20 30 BEEDRO C#CCC[N@H+]1Cc2ccc(O)cc2C2(CC2)C1 ZINC001117696370 987867918 /nfs/dbraw/zinc/86/79/18/987867918.db2.gz BVLWIMHYDZABNH-UHFFFAOYSA-N 1 0 227.307 2.263 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1CC[C@H](SC)C1 ZINC001117705552 987870019 /nfs/dbraw/zinc/87/00/19/987870019.db2.gz VSMHGFDQUUSREA-NEPJUHHUSA-N 1 0 229.389 2.405 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001321480394 987919261 /nfs/dbraw/zinc/91/92/61/987919261.db2.gz LWOMMYAEKQPNIW-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H](NC(=O)c2ccco2)C1 ZINC001479943708 987930206 /nfs/dbraw/zinc/93/02/06/987930206.db2.gz ZKBLHOFSXNQBGU-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO CO[NH+]=Cc1ccccc1N1CCCC1 ZINC001321566185 987938840 /nfs/dbraw/zinc/93/88/40/987938840.db2.gz LOXQJFRKDRQPBB-UHFFFAOYSA-N 1 0 204.273 2.267 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1CCCN(C(C)=O)C1 ZINC001480067466 987942907 /nfs/dbraw/zinc/94/29/07/987942907.db2.gz CXSFABZERQJBEK-AWEZNQCLSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001480131600 987947519 /nfs/dbraw/zinc/94/75/19/987947519.db2.gz JRZHCCDSXDWJJG-AVGNSLFASA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001117933566 987957292 /nfs/dbraw/zinc/95/72/92/987957292.db2.gz MJVWBQZFXSNWOQ-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]CCC(C)C ZINC001480468854 987986435 /nfs/dbraw/zinc/98/64/35/987986435.db2.gz NCGUJYRBOLJIPK-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[NH2+]CCC(C)C ZINC001480468855 987990221 /nfs/dbraw/zinc/99/02/21/987990221.db2.gz NCGUJYRBOLJIPK-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](C)[NH2+]C/C=C\Cl ZINC001480526341 987993357 /nfs/dbraw/zinc/99/33/57/987993357.db2.gz DCWFETSEXMKNBQ-BPOWMSRESA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001480533936 988000594 /nfs/dbraw/zinc/00/05/94/988000594.db2.gz MZWMKOXWEJDUAF-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001480618850 988012795 /nfs/dbraw/zinc/01/27/95/988012795.db2.gz CDXXEERYYFKTDN-GUNGLEHYSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C=C(CC)CC ZINC001480756451 988028478 /nfs/dbraw/zinc/02/84/78/988028478.db2.gz VRPYYZDYILORLF-LBPRGKRZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)CC(C)(C)C ZINC001480842466 988043807 /nfs/dbraw/zinc/04/38/07/988043807.db2.gz JKAXKXAOSBEHGH-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001321946702 988062534 /nfs/dbraw/zinc/06/25/34/988062534.db2.gz KIQNBPMDQJPICO-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1CCC ZINC001321978668 988073056 /nfs/dbraw/zinc/07/30/56/988073056.db2.gz RCHOYVRKMJMKCA-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)/C(C)=C\C ZINC001493285685 988073886 /nfs/dbraw/zinc/07/38/86/988073886.db2.gz CQQMUMVXZJWGCV-QPEQYQDCSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001322003524 988076947 /nfs/dbraw/zinc/07/69/47/988076947.db2.gz XVKFCNGPHDAQOX-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C=C(C)C ZINC001493469040 988092457 /nfs/dbraw/zinc/09/24/57/988092457.db2.gz UQJNYUSLNQMCQG-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC001493555895 988095950 /nfs/dbraw/zinc/09/59/50/988095950.db2.gz RGTXOESTHORTEN-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[NH2+]CC(C)C ZINC001493559646 988100159 /nfs/dbraw/zinc/10/01/59/988100159.db2.gz HRGNZYKWUSPVSM-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001322103968 988117268 /nfs/dbraw/zinc/11/72/68/988117268.db2.gz LNKHWIMUMHBZIZ-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC001322130304 988134981 /nfs/dbraw/zinc/13/49/81/988134981.db2.gz STOYPIUEGJVSAU-CQSZACIVSA-N 1 0 230.311 2.157 20 30 BEEDRO C=CCC[NH+]1CC(CNC(=O)CCC(C)C)C1 ZINC001494522923 988151815 /nfs/dbraw/zinc/15/18/15/988151815.db2.gz DPMRUBSPXRALAE-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001322284755 988187299 /nfs/dbraw/zinc/18/72/99/988187299.db2.gz FJUMETUEIOQTGT-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001494848768 988188518 /nfs/dbraw/zinc/18/85/18/988188518.db2.gz UDVUORHRHOKFDS-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001494848922 988189935 /nfs/dbraw/zinc/18/99/35/988189935.db2.gz UDVUORHRHOKFDS-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)CCCC)C1 ZINC001494880072 988193262 /nfs/dbraw/zinc/19/32/62/988193262.db2.gz DNUXNPCHNRKRPT-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1nnc2ccccn21 ZINC001118291834 988193952 /nfs/dbraw/zinc/19/39/52/988193952.db2.gz VIZVSHPUDWFZQL-WDEREUQCSA-N 1 0 243.314 2.072 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[C@@H](C)CC ZINC001494971828 988203837 /nfs/dbraw/zinc/20/38/37/988203837.db2.gz VNTWHBPFHBFFCF-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(NC(C)=O)C1CC1 ZINC001495218662 988216902 /nfs/dbraw/zinc/21/69/02/988216902.db2.gz VSMHCUMKPNPWRL-BXUZGUMPSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H]1C ZINC001322395445 988238132 /nfs/dbraw/zinc/23/81/32/988238132.db2.gz OQVQHFWNKKLQON-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1C[C@H]1C ZINC001322395607 988239740 /nfs/dbraw/zinc/23/97/40/988239740.db2.gz YFIORPBYRRERDT-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)[C@](C)(C=C)CC ZINC001495733965 988245887 /nfs/dbraw/zinc/24/58/87/988245887.db2.gz KXESUUQPFOVJSX-TZMCWYRMSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)CCC ZINC001496017901 988274055 /nfs/dbraw/zinc/27/40/55/988274055.db2.gz QHWKKMPBFDQOLI-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C(CC)CC ZINC001496004735 988274483 /nfs/dbraw/zinc/27/44/83/988274483.db2.gz UCRQHXKTZCUFHR-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc(C)cc1 ZINC001496214836 988291283 /nfs/dbraw/zinc/29/12/83/988291283.db2.gz FGALFMAOTKSZCS-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H]1CCCCN1C(C)=O ZINC001496377439 988299602 /nfs/dbraw/zinc/29/96/02/988299602.db2.gz UCAKJJVFALSGJF-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C1CCCCC1 ZINC001497131710 988357265 /nfs/dbraw/zinc/35/72/65/988357265.db2.gz JAEOGFWPYNCZCH-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](CCCC#N)N1CCCC[C@]12CC[NH2+]C2 ZINC001246643993 988359302 /nfs/dbraw/zinc/35/93/02/988359302.db2.gz OSFMYEUQQKSIGA-UONOGXRCSA-N 1 0 235.375 2.287 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)/C(C)=C\C ZINC001497168677 988362112 /nfs/dbraw/zinc/36/21/12/988362112.db2.gz WCRLGFOKOBQFIJ-YOOZJCNJSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C1(CC)CCC1 ZINC001497255514 988367118 /nfs/dbraw/zinc/36/71/18/988367118.db2.gz YFERSWIGUYYKCB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)C[C@H](C)CC ZINC001497376314 988381302 /nfs/dbraw/zinc/38/13/02/988381302.db2.gz CPNMLRSYLXWHRK-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001497465592 988384296 /nfs/dbraw/zinc/38/42/96/988384296.db2.gz YORULRCXTUIWQY-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1CC ZINC001497456183 988385408 /nfs/dbraw/zinc/38/54/08/988385408.db2.gz OGWWQQGSAWZKHS-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)CC(C)C)C1CC1 ZINC001322952034 988414552 /nfs/dbraw/zinc/41/45/52/988414552.db2.gz JIUOLIWYKBKIHG-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)CCC ZINC001497794877 988422551 /nfs/dbraw/zinc/42/25/51/988422551.db2.gz SKNUMPCOQISVKJ-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)C=C1CCC1)C1CC1 ZINC001322987524 988423482 /nfs/dbraw/zinc/42/34/82/988423482.db2.gz SXFJGQVQBQEULU-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)/C=C(/C)CC ZINC001497812469 988424715 /nfs/dbraw/zinc/42/47/15/988424715.db2.gz OQYGCCRTFQVSCV-KXXVWKPMSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)c(OC)c1 ZINC001118556077 988428951 /nfs/dbraw/zinc/42/89/51/988428951.db2.gz SZBSBBGXOKXSPO-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CCC ZINC001497902505 988429461 /nfs/dbraw/zinc/42/94/61/988429461.db2.gz PBEHGHJZCYYONX-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]CCCC ZINC001497875082 988430661 /nfs/dbraw/zinc/43/06/61/988430661.db2.gz BLUGOPALAOQTCI-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC001118564783 988448725 /nfs/dbraw/zinc/44/87/25/988448725.db2.gz WZBSYLRLDIDKCY-JSGCOSHPSA-N 1 0 248.370 2.038 20 30 BEEDRO C[C@H]1CC[C@@H](N(C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC001246767921 988457983 /nfs/dbraw/zinc/45/79/83/988457983.db2.gz CZYQHDVLGGBRDV-SWLSCSKDSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC1CCCC1 ZINC001498214439 988468136 /nfs/dbraw/zinc/46/81/36/988468136.db2.gz GLQKCGGHUKCBTB-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@H+](C)CC ZINC001498362365 988484592 /nfs/dbraw/zinc/48/45/92/988484592.db2.gz LJTXYPTVRVXVDV-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC[C@@H]([NH2+]C)C3)C[C@H](C1)C2 ZINC001246814789 988497420 /nfs/dbraw/zinc/49/74/20/988497420.db2.gz TXADGNDIWUFWQS-PEUVFPKISA-N 1 0 234.387 2.415 20 30 BEEDRO C=CCCCCN(C)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246870513 988537443 /nfs/dbraw/zinc/53/74/43/988537443.db2.gz LJQPMFJUTMBSBJ-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C[C@@H]1CC[C@H](N(CC#N)Cc2ccccc2)C[NH2+]1 ZINC001246836284 988538424 /nfs/dbraw/zinc/53/84/24/988538424.db2.gz WDUGCAOGRLCMAQ-HIFRSBDPSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@H]1CC[C@@H](N(CC#N)Cc2ccccc2)C[NH2+]1 ZINC001246836283 988539659 /nfs/dbraw/zinc/53/96/59/988539659.db2.gz WDUGCAOGRLCMAQ-DZGCQCFKSA-N 1 0 243.354 2.153 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)CCC(C)C)CC1 ZINC001499154630 988539889 /nfs/dbraw/zinc/53/98/89/988539889.db2.gz KTVOELAZQWNFTJ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)N(C)C1C[NH+](CC(C)C)C1 ZINC001499673012 988556797 /nfs/dbraw/zinc/55/67/97/988556797.db2.gz BYLRONXPYDDQMT-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001499805481 988558022 /nfs/dbraw/zinc/55/80/22/988558022.db2.gz ICPROKRYLARMNM-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCC(C)(NC(C)=O)CC1 ZINC001499958595 988561445 /nfs/dbraw/zinc/56/14/45/988561445.db2.gz VSKJPZMOZZXEBQ-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCC ZINC001499866221 988561733 /nfs/dbraw/zinc/56/17/33/988561733.db2.gz MIYRQOIKACYIHU-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCC[C@H](CC)[N@H+]1C[C@@H](O)[C@@H](N)C1 ZINC001246847295 988565527 /nfs/dbraw/zinc/56/55/27/988565527.db2.gz SKLMTLCGGDMDHU-MELADBBJSA-N 1 0 242.407 2.129 20 30 BEEDRO C=CCC[C@@H](C)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001246853213 988569306 /nfs/dbraw/zinc/56/93/06/988569306.db2.gz IPFGUZKMMIMUJQ-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CCCC)C1 ZINC001500183427 988573494 /nfs/dbraw/zinc/57/34/94/988573494.db2.gz REISVWCVXREFAU-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC)C1 ZINC001501066349 988597143 /nfs/dbraw/zinc/59/71/43/988597143.db2.gz FWXGIYIEAGIHGZ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCCCCCO)C1 ZINC001323730077 988600082 /nfs/dbraw/zinc/60/00/82/988600082.db2.gz QWAPLJXBPWCKKY-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC=C ZINC001501377691 988602448 /nfs/dbraw/zinc/60/24/48/988602448.db2.gz IXGZQESMYSZXBH-ZIAGYGMSSA-N 1 0 248.370 2.204 20 30 BEEDRO CCCCCCC[C@@H](C)N1CCOC[C@@H]1C[NH3+] ZINC001246861345 988604327 /nfs/dbraw/zinc/60/43/27/988604327.db2.gz JJJZOXRCBRBMKF-KGLIPLIRSA-N 1 0 242.407 2.395 20 30 BEEDRO C=CC[NH2+]CC[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001501554674 988608622 /nfs/dbraw/zinc/60/86/22/988608622.db2.gz FCNYWYTZLCLVKT-ZDUSSCGKSA-N 1 0 248.370 2.111 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H](C)CC ZINC001503084917 988651441 /nfs/dbraw/zinc/65/14/41/988651441.db2.gz LXDJDZPCOQAWOL-KOLCDFICSA-N 1 0 246.782 2.269 20 30 BEEDRO CC[N@H+](CCNc1cccc(CC#N)n1)C(C)C ZINC001323960794 988661057 /nfs/dbraw/zinc/66/10/57/988661057.db2.gz VINUAKZFSYAJGO-UHFFFAOYSA-N 1 0 246.358 2.290 20 30 BEEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)C/C=C(/C)C=C ZINC001503421840 988661032 /nfs/dbraw/zinc/66/10/32/988661032.db2.gz MAYXALKIZRTMFZ-MQJVFOOVSA-N 1 0 248.370 2.017 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(F)c(OC)c1 ZINC001324022252 988667575 /nfs/dbraw/zinc/66/75/75/988667575.db2.gz PSPZSJLUWFSUHT-LLVKDONJSA-N 1 0 239.290 2.125 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(C)ccc1OC ZINC001324016928 988668616 /nfs/dbraw/zinc/66/86/16/988668616.db2.gz SKJMXYLSWSVETI-CYBMUJFWSA-N 1 0 235.327 2.294 20 30 BEEDRO C=C(C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC ZINC001505405124 988679311 /nfs/dbraw/zinc/67/93/11/988679311.db2.gz DZLSZCZHPKVAON-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCO1 ZINC001118908949 988688153 /nfs/dbraw/zinc/68/81/53/988688153.db2.gz NNOSIXJJNDYTQF-BFYSQQLMSA-N 1 0 233.355 2.191 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)(C)C=C ZINC001505613704 988705642 /nfs/dbraw/zinc/70/56/42/988705642.db2.gz LCVVZGVUEAKZMP-RYUDHWBXSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CCCC[NH2+]C1CCC(N(C)C(C)=O)CC1 ZINC001505769632 988711169 /nfs/dbraw/zinc/71/11/69/988711169.db2.gz UKBCUVGUWAWLRW-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CCC1CC1 ZINC001505890666 988741320 /nfs/dbraw/zinc/74/13/20/988741320.db2.gz UIUIYZKPUVMSDT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C=C1CCC1 ZINC001505897452 988743924 /nfs/dbraw/zinc/74/39/24/988743924.db2.gz XBWRFVKTXZFIOI-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[N@@H+](C)CCCC ZINC001505979197 988753912 /nfs/dbraw/zinc/75/39/12/988753912.db2.gz ROFPCOATYCMCFP-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)CC ZINC001505990421 988756350 /nfs/dbraw/zinc/75/63/50/988756350.db2.gz FAMWIDXNZNUNRM-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)F ZINC001506908791 988795455 /nfs/dbraw/zinc/79/54/55/988795455.db2.gz PNLRDLHOGIEDBB-LLVKDONJSA-N 1 0 244.354 2.185 20 30 BEEDRO C(=[NH+]N1CCC1)c1ccc(N2CCCC2)cc1 ZINC001119010675 988800201 /nfs/dbraw/zinc/80/02/01/988800201.db2.gz NSHYWTWLLOPUCD-UHFFFAOYSA-N 1 0 229.327 2.326 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)CC(C)(F)F ZINC001506945215 988800565 /nfs/dbraw/zinc/80/05/65/988800565.db2.gz SVVRMSHHNOOXTF-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CCNC(C)=O)C(C)C ZINC001506980040 988801495 /nfs/dbraw/zinc/80/14/95/988801495.db2.gz YVPOMUNUAAXMPB-TZMCWYRMSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCC[NH2+]CC ZINC001506943204 988802372 /nfs/dbraw/zinc/80/23/72/988802372.db2.gz NEMDSXUMCUVEEY-JSGCOSHPSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(F)F ZINC001507038916 988804039 /nfs/dbraw/zinc/80/40/39/988804039.db2.gz NDXMOWFEJODHGG-UWVGGRQHSA-N 1 0 248.317 2.043 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]CC1CCC1 ZINC001507056083 988811592 /nfs/dbraw/zinc/81/15/92/988811592.db2.gz KHFWTLNZOHIAFI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C1(C)CC1 ZINC001507077438 988816444 /nfs/dbraw/zinc/81/64/44/988816444.db2.gz LXRDKTYZRDHFHW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC001324383827 988822494 /nfs/dbraw/zinc/82/24/94/988822494.db2.gz OXHRMEYPQZBSOV-LBPRGKRZSA-N 1 0 249.358 2.065 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(/C)CC)[C@@H]1C ZINC001507277359 988832330 /nfs/dbraw/zinc/83/23/30/988832330.db2.gz BRVQGLSEZVUGGC-QVDRPMGRSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)[C@@H]1C ZINC001507275362 988832543 /nfs/dbraw/zinc/83/25/43/988832543.db2.gz TZRYLLXLRBBANI-WXYBXBMJSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)[C@H]1C ZINC001507275356 988833994 /nfs/dbraw/zinc/83/39/94/988833994.db2.gz TZRYLLXLRBBANI-OAIDTJHVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)/C=C(/C)CC)C1 ZINC001507311923 988835474 /nfs/dbraw/zinc/83/54/74/988835474.db2.gz BHTYFDUNPUQRMT-ZBNJQPBLSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[C@H](C)N1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001247013654 988842054 /nfs/dbraw/zinc/84/20/54/988842054.db2.gz HODZIJRYYUSXFW-IHRRRGAJSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[NH+]1CCC([C@@H](C)NC(=O)CCC)CC1 ZINC001508055429 988847660 /nfs/dbraw/zinc/84/76/60/988847660.db2.gz TVMMVDNULXAKEO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(C3CC3)CCOCC2)C1 ZINC001324474841 988852273 /nfs/dbraw/zinc/85/22/73/988852273.db2.gz ZPJFHAHYDOLWEU-YPMHNXCESA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C(C)C)C1 ZINC001324574667 988877914 /nfs/dbraw/zinc/87/79/14/988877914.db2.gz SYPSDAYMFJQDEX-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1CCC(=O)CC1 ZINC001324720819 988946301 /nfs/dbraw/zinc/94/63/01/988946301.db2.gz MWZUNIWXHNTWQS-UHFFFAOYSA-N 1 0 219.328 2.091 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC001514882728 988959765 /nfs/dbraw/zinc/95/97/65/988959765.db2.gz MMTSYFPQFJMZJG-CHWSQXEVSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(=O)NCC(C)C)C1CC1 ZINC001324958074 989036131 /nfs/dbraw/zinc/03/61/31/989036131.db2.gz LGJXRKZHFMPWJD-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC001119419223 989054823 /nfs/dbraw/zinc/05/48/23/989054823.db2.gz OXYSEYUJKFLVJL-NWDGAFQWSA-N 1 0 241.379 2.088 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@H]1CC[C@@H](C#N)C1 ZINC001325179856 989100670 /nfs/dbraw/zinc/10/06/70/989100670.db2.gz CCYPELCBGZMIHP-OLZOCXBDSA-N 1 0 202.301 2.024 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC001325196940 989114356 /nfs/dbraw/zinc/11/43/56/989114356.db2.gz KYKYTYQJNRRPTD-YVECIDJPSA-N 1 0 236.359 2.472 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)CC)CC1CC1 ZINC001325191519 989114465 /nfs/dbraw/zinc/11/44/65/989114465.db2.gz PNKZPZWUGQZUAD-UHFFFAOYSA-N 1 0 207.317 2.091 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC)C1 ZINC001325410665 989182499 /nfs/dbraw/zinc/18/24/99/989182499.db2.gz SQBUBRDQHQRRLM-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3n2CCC3)C1 ZINC001248824233 989185533 /nfs/dbraw/zinc/18/55/33/989185533.db2.gz DSOMJAQSCDLXQH-ZDUSSCGKSA-N 1 0 228.339 2.280 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@H](C)c1ccccn1 ZINC001325497219 989198605 /nfs/dbraw/zinc/19/86/05/989198605.db2.gz SKCRKAXJDWMTAA-GFCCVEGCSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@H]2CCC2(C)C)CC1 ZINC001517137857 989203299 /nfs/dbraw/zinc/20/32/99/989203299.db2.gz SQVFGDQGYWMHRP-CYBMUJFWSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC001325619731 989218363 /nfs/dbraw/zinc/21/83/63/989218363.db2.gz JTJIJQYIBONZGX-CYBMUJFWSA-N 1 0 234.343 2.043 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001325620204 989222032 /nfs/dbraw/zinc/22/20/32/989222032.db2.gz RRYUWHGVXBDQLM-SMDDNHRTSA-N 1 0 230.311 2.410 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCCCF)C1 ZINC001325724715 989244490 /nfs/dbraw/zinc/24/44/90/989244490.db2.gz QIDOTQODRDVLFL-LBPRGKRZSA-N 1 0 215.312 2.403 20 30 BEEDRO COCC[N@H+](C)Cc1cc2ccc(C#N)cc2[nH]1 ZINC001249426408 989274446 /nfs/dbraw/zinc/27/44/46/989274446.db2.gz OYGDGGXBHXGIGU-UHFFFAOYSA-N 1 0 243.310 2.118 20 30 BEEDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001325843548 989282227 /nfs/dbraw/zinc/28/22/27/989282227.db2.gz DDGDXDYDPMLFLO-RKDXNWHRSA-N 1 0 238.718 2.071 20 30 BEEDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001325843546 989282909 /nfs/dbraw/zinc/28/29/09/989282909.db2.gz DDGDXDYDPMLFLO-DTWKUNHWSA-N 1 0 238.718 2.071 20 30 BEEDRO CSC[C@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC001119688603 989336673 /nfs/dbraw/zinc/33/66/73/989336673.db2.gz JBXFNZMNWSUGAT-MNOVXSKESA-N 1 0 244.404 2.018 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1C ZINC001119691723 989337917 /nfs/dbraw/zinc/33/79/17/989337917.db2.gz PDPWAMNQENGPLK-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=C(CC)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC001518834537 989345447 /nfs/dbraw/zinc/34/54/47/989345447.db2.gz OEZZIPLVAIGOBH-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001518981410 989364224 /nfs/dbraw/zinc/36/42/24/989364224.db2.gz PHFBKUNRFWLORJ-CYBMUJFWSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@@H]1O ZINC001119744814 989372511 /nfs/dbraw/zinc/37/25/11/989372511.db2.gz IZPINFSCEHIVRA-RYSNWHEDSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CC[C@@H]1O ZINC001119744811 989381669 /nfs/dbraw/zinc/38/16/69/989381669.db2.gz IZPINFSCEHIVRA-ABXWRUBCSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CC[N@@H+](CC[C@@H]1CCOC1)C(C)(C)C ZINC001119846278 989442264 /nfs/dbraw/zinc/44/22/64/989442264.db2.gz PVUXIBHMMPMAKE-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCOC1CCSCC1 ZINC001119852486 989446107 /nfs/dbraw/zinc/44/61/07/989446107.db2.gz VSKPTSDOEMVQEO-UHFFFAOYSA-N 1 0 241.400 2.242 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C(CC)CC)CC1 ZINC001520076379 989505714 /nfs/dbraw/zinc/50/57/14/989505714.db2.gz BQCWPOOBVZYEDO-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC(C)(C)NC(=O)CCCC[NH+]1CCCC1 ZINC001119999503 989554307 /nfs/dbraw/zinc/55/43/07/989554307.db2.gz KIFDDGLHTOQKQW-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC001520804262 989607699 /nfs/dbraw/zinc/60/76/99/989607699.db2.gz UUQKCWKRTOYKLX-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H](C)[C@@H](C)O)c1ccccc1 ZINC001326600363 989622731 /nfs/dbraw/zinc/62/27/31/989622731.db2.gz VYZRSBYRNYELHV-SCRDCRAPSA-N 1 0 217.312 2.110 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC001326643918 989641145 /nfs/dbraw/zinc/64/11/45/989641145.db2.gz QBFLCQIIFNZYEI-NWDGAFQWSA-N 1 0 227.373 2.016 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)C=C(C)C ZINC001326682308 989652408 /nfs/dbraw/zinc/65/24/08/989652408.db2.gz XADAJSJHWWVBBT-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC001120493407 989673298 /nfs/dbraw/zinc/67/32/98/989673298.db2.gz VSZXVVUHJFHXFG-OUCADQQQSA-N 1 0 219.328 2.315 20 30 BEEDRO CC(C)(F)CC[NH2+]C[C@H](C#N)CCC#N ZINC001120560911 989726192 /nfs/dbraw/zinc/72/61/92/989726192.db2.gz KOMBCKXPZNDLFM-JTQLQIEISA-N 1 0 211.284 2.158 20 30 BEEDRO C=CCN(C)C(=O)[C@H](C[NH3+])C1CCCCCC1 ZINC001521533999 989730411 /nfs/dbraw/zinc/73/04/11/989730411.db2.gz QITIWVTXRQPIOO-CYBMUJFWSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCN(C)C(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001521534000 989730510 /nfs/dbraw/zinc/73/05/10/989730510.db2.gz QITIWVTXRQPIOO-ZDUSSCGKSA-N 1 0 238.375 2.176 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC001521527733 989731825 /nfs/dbraw/zinc/73/18/25/989731825.db2.gz RWTZNWGOLIDEER-UPJWGTAASA-N 1 0 238.375 2.175 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1ccc(C)cc1 ZINC001326904938 989764936 /nfs/dbraw/zinc/76/49/36/989764936.db2.gz AVEIDOZYHDIUJT-LLVKDONJSA-N 1 0 215.300 2.343 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC001120596558 989769695 /nfs/dbraw/zinc/76/96/95/989769695.db2.gz VVPRZBHVJHFCOO-LSDHHAIUSA-N 1 0 249.329 2.121 20 30 BEEDRO C[C@@H](CC1CCC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001120609715 989782591 /nfs/dbraw/zinc/78/25/91/989782591.db2.gz IXZHQTXHBRPAPZ-WCQYABFASA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H](CC1CCC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001120609713 989785097 /nfs/dbraw/zinc/78/50/97/989785097.db2.gz IXZHQTXHBRPAPZ-AAEUAGOBSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001120626581 989800331 /nfs/dbraw/zinc/80/03/31/989800331.db2.gz NBVKIWJFLJJYHW-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC001120685519 989830361 /nfs/dbraw/zinc/83/03/61/989830361.db2.gz GFHOJVUQZCTMMK-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC001120698608 989837002 /nfs/dbraw/zinc/83/70/02/989837002.db2.gz NIICFUUWTWIKPV-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC001120703019 989839682 /nfs/dbraw/zinc/83/96/82/989839682.db2.gz LRIWFBDBSAPXAT-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC001120786308 989880344 /nfs/dbraw/zinc/88/03/44/989880344.db2.gz XFPPWUMOFSIYLC-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H]1CN(c2c(Cl)cccc2C#N)C[C@H](C)[NH2+]1 ZINC001120786299 989880642 /nfs/dbraw/zinc/88/06/42/989880642.db2.gz GSBZDKYXAHVLGM-AOOOYVTPSA-N 1 0 249.745 2.398 20 30 BEEDRO C#Cc1ccc(NCC(C)(C)C[NH+](C)C)nc1 ZINC001120793130 989884829 /nfs/dbraw/zinc/88/48/29/989884829.db2.gz KWZZFCQOACHOIC-UHFFFAOYSA-N 1 0 231.343 2.063 20 30 BEEDRO N#CCC1CCN(c2cc[nH+]cc2)CC1 ZINC001120860459 989928788 /nfs/dbraw/zinc/92/87/88/989928788.db2.gz LELOMCWKFXAFQX-UHFFFAOYSA-N 1 0 201.273 2.212 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Nc2cc(Cl)ccn2)C1 ZINC001120874550 989940729 /nfs/dbraw/zinc/94/07/29/989940729.db2.gz LQCYNFAPSSVUDN-LBPRGKRZSA-N 1 0 249.745 2.245 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@H]2CCCC[N@H+]2C)c1 ZINC001120885616 989947994 /nfs/dbraw/zinc/94/79/94/989947994.db2.gz ZYRQDGUPEXHOFY-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)CCC ZINC001121847673 990102963 /nfs/dbraw/zinc/10/29/63/990102963.db2.gz BPOVXZHSZLRQPO-NEPJUHHUSA-N 1 0 226.364 2.317 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001121881948 990105949 /nfs/dbraw/zinc/10/59/49/990105949.db2.gz UEFHTMILTHFCBO-WCQYABFASA-N 1 0 238.375 2.365 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C2CC(C)(C)C2)CC1 ZINC001526629392 990164998 /nfs/dbraw/zinc/16/49/98/990164998.db2.gz DVFHBNCFFSVOFX-UHFFFAOYSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001527845445 990247689 /nfs/dbraw/zinc/24/76/89/990247689.db2.gz ZRVSYSDTMCDCBB-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO N#CCCCCC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001122221601 990298394 /nfs/dbraw/zinc/29/83/94/990298394.db2.gz FEYIFXVZTKEUCI-UHFFFAOYSA-N 1 0 243.310 2.312 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122305539 990330701 /nfs/dbraw/zinc/33/07/01/990330701.db2.gz RFIBUYDWAWNQAI-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC001122318869 990339881 /nfs/dbraw/zinc/33/98/81/990339881.db2.gz AFCUECVAMWBEKA-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001529420513 990350453 /nfs/dbraw/zinc/35/04/53/990350453.db2.gz PYSPZGHXCFJWHO-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CC[NH2+]C1CC1 ZINC001122374429 990360610 /nfs/dbraw/zinc/36/06/10/990360610.db2.gz PJDKRUOAAWBIPR-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)CC(C)C ZINC001122794960 990447487 /nfs/dbraw/zinc/44/74/87/990447487.db2.gz DWCYWRAAJHPGRN-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1CCCCC1 ZINC001122822542 990450052 /nfs/dbraw/zinc/45/00/52/990450052.db2.gz XBBRJUJAIRNIMO-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)c1ccccc1C ZINC001122851586 990453015 /nfs/dbraw/zinc/45/30/15/990453015.db2.gz RTPRLTOAEOIGNA-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1C ZINC001122929458 990466484 /nfs/dbraw/zinc/46/64/84/990466484.db2.gz MBOIJHZMGJLYNZ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@H]1C=CCC1 ZINC001123298459 990543843 /nfs/dbraw/zinc/54/38/43/990543843.db2.gz WGBVOCOJRMTGBJ-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C#CCCCC(=O)O[C@H](C)CC[NH+]1CCCC1 ZINC001123365203 990562142 /nfs/dbraw/zinc/56/21/42/990562142.db2.gz ARWVFXAYRKNTPF-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC001123481945 990594197 /nfs/dbraw/zinc/59/41/97/990594197.db2.gz DOTYFXLKIPKLHW-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC001123552210 990608319 /nfs/dbraw/zinc/60/83/19/990608319.db2.gz XWUAWIFAJIXCQS-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC001123796952 990671140 /nfs/dbraw/zinc/67/11/40/990671140.db2.gz VRZCAIAUEJZKFC-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](CC)CCCC ZINC001123935367 990707965 /nfs/dbraw/zinc/70/79/65/990707965.db2.gz AVFUWZKKFDEQPJ-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C=C1CCCCC1 ZINC001124384437 990786127 /nfs/dbraw/zinc/78/61/27/990786127.db2.gz QMECDPLOYXOUFA-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)C1(C)CCC1 ZINC001567044813 990800009 /nfs/dbraw/zinc/80/00/09/990800009.db2.gz WPMRNGNHSIMZJC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C2)c(C#N)c1 ZINC001137699917 990842276 /nfs/dbraw/zinc/84/22/76/990842276.db2.gz YXDZKBQDBPAHDE-LLVKDONJSA-N 1 0 230.311 2.409 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC001202811659 990861233 /nfs/dbraw/zinc/86/12/33/990861233.db2.gz IIDSEFWJCQECTM-UHFFFAOYSA-N 1 0 222.291 2.353 20 30 BEEDRO Cn1ccc(CC[NH2+]C2CCC(C)(C#N)CC2)n1 ZINC001308363256 990971942 /nfs/dbraw/zinc/97/19/42/990971942.db2.gz RNCZZHYBNJXERX-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO C=CCc1cccc(C[NH+]2CC(CC#N)C2)c1O ZINC001138624983 990983026 /nfs/dbraw/zinc/98/30/26/990983026.db2.gz WUPBVZNNJOIBDG-UHFFFAOYSA-N 1 0 242.322 2.466 20 30 BEEDRO C=CCc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001138625356 990984974 /nfs/dbraw/zinc/98/49/74/990984974.db2.gz JTMQZNXABSPEPO-RISCZKNCSA-N 1 0 247.338 2.076 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CC[C@@H](OC)C2)c1O ZINC001138624292 990987843 /nfs/dbraw/zinc/98/78/43/990987843.db2.gz BESCULWNWFLUGN-CQSZACIVSA-N 1 0 247.338 2.341 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn(CCC)c2C)CC1 ZINC001138640507 990994328 /nfs/dbraw/zinc/99/43/28/990994328.db2.gz UCQKJYPIUFCMQE-UHFFFAOYSA-N 1 0 245.370 2.447 20 30 BEEDRO CNc1ncccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001138692509 991005248 /nfs/dbraw/zinc/00/52/48/991005248.db2.gz AUBYRVJNVCJISO-GFCCVEGCSA-N 1 0 244.342 2.249 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](C)CCC=C(C)C)CC1 ZINC001258099571 991011778 /nfs/dbraw/zinc/01/17/78/991011778.db2.gz NHMFRLLEWRSVJA-HNNXBMFYSA-N 1 0 234.387 2.372 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CC#N)C1 ZINC001308505460 991012896 /nfs/dbraw/zinc/01/28/96/991012896.db2.gz GYWPKPPNGDBIMV-QJPTWQEYSA-N 1 0 210.321 2.226 20 30 BEEDRO CCO[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC#N)C1 ZINC001308505461 991014346 /nfs/dbraw/zinc/01/43/46/991014346.db2.gz GYWPKPPNGDBIMV-SDDRHHMPSA-N 1 0 210.321 2.226 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC001308507608 991015832 /nfs/dbraw/zinc/01/58/32/991015832.db2.gz RYZZYPSLDKGCRL-AWEZNQCLSA-N 1 0 243.306 2.297 20 30 BEEDRO C#CCN1CC[NH+](C2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001258168762 991065408 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C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC001258454560 991406494 /nfs/dbraw/zinc/40/64/94/991406494.db2.gz MMOULSGMYDJEFT-JSGCOSHPSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001317102353 991407392 /nfs/dbraw/zinc/40/73/92/991407392.db2.gz OGSWCFCMSVWXPS-MELADBBJSA-N 1 0 248.370 2.156 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1cc(C#N)co1 ZINC001258455862 991409151 /nfs/dbraw/zinc/40/91/51/991409151.db2.gz FIARKSHFDFVHKZ-SECBINFHSA-N 1 0 204.273 2.429 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CCC)C1=O ZINC001560201029 991414915 /nfs/dbraw/zinc/41/49/15/991414915.db2.gz CUESUKXGZTUWEG-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCOCC12CCCC2 ZINC001560232190 991430745 /nfs/dbraw/zinc/43/07/45/991430745.db2.gz NZZNTLTXGHMAAH-LBPRGKRZSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)CCC)C1 ZINC001316973384 991432816 /nfs/dbraw/zinc/43/28/16/991432816.db2.gz ZLCUCSVNVKNHKM-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)/C(C)=C\C)CC1 ZINC001316996335 991436254 /nfs/dbraw/zinc/43/62/54/991436254.db2.gz LDAGIVKMFSCKOB-XLVZXTRVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH+]1CCC2(C[C@H]2NC(=O)/C(C)=C\C)CC1 ZINC001316996334 991437861 /nfs/dbraw/zinc/43/78/61/991437861.db2.gz LDAGIVKMFSCKOB-QWGHSUKYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001317052857 991444844 /nfs/dbraw/zinc/44/48/44/991444844.db2.gz KYPQPRZUNVFGHM-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001317077449 991446627 /nfs/dbraw/zinc/44/66/27/991446627.db2.gz HDNRPIFUFYIQEE-HAQNSBGRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1ccccc1-n1cncn1 ZINC001560349066 991457469 /nfs/dbraw/zinc/45/74/69/991457469.db2.gz WAFRMMUDRFRPDH-UHFFFAOYSA-N 1 0 248.717 2.109 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)CCO)c1 ZINC001560353792 991462215 /nfs/dbraw/zinc/46/22/15/991462215.db2.gz WSINPINLFREXDI-CYBMUJFWSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)CC1CCCCC1 ZINC001317226100 991466833 /nfs/dbraw/zinc/46/68/33/991466833.db2.gz VSCUPNPDCHFXMV-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)CCC(=O)OCC)CC1 ZINC001258503608 991469790 /nfs/dbraw/zinc/46/97/90/991469790.db2.gz YCOULUCJDYNDGY-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@](C)(C=C)CC ZINC001317263355 991481856 /nfs/dbraw/zinc/48/18/56/991481856.db2.gz BYBMURBTCGYSPL-TZMCWYRMSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001317295882 991487157 /nfs/dbraw/zinc/48/71/57/991487157.db2.gz BLLYSRNGFQMPRV-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1cccc(C)c1C ZINC001317279288 991488662 /nfs/dbraw/zinc/48/86/62/991488662.db2.gz BYSNVZFDYTWJEF-LBPRGKRZSA-N 1 0 246.354 2.197 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnc(SC)n2)CC1 ZINC001140036302 991495022 /nfs/dbraw/zinc/49/50/22/991495022.db2.gz GXVJEAZSQKGDLS-UHFFFAOYSA-N 1 0 247.367 2.044 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)c1ccccc1 ZINC001317392406 991496611 /nfs/dbraw/zinc/49/66/11/991496611.db2.gz XXVSWPLKRJFKGM-ZDUSSCGKSA-N 1 0 246.354 2.361 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C1CCC2(CCC2)CC1 ZINC001560575420 991505281 /nfs/dbraw/zinc/50/52/81/991505281.db2.gz GLDWFSHVQDRACX-AWEZNQCLSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2CCCCCC2)C1 ZINC001560588131 991507840 /nfs/dbraw/zinc/50/78/40/991507840.db2.gz NJNRTSQJQOCTBK-HNNXBMFYSA-N 1 0 234.387 2.396 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C ZINC001317455854 991519822 /nfs/dbraw/zinc/51/98/22/991519822.db2.gz BANLUWZWNQUGCT-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CCC ZINC001317463280 991528390 /nfs/dbraw/zinc/52/83/90/991528390.db2.gz WTBWAQRXRRUBSB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C=C1CCC1 ZINC001317498103 991541435 /nfs/dbraw/zinc/54/14/35/991541435.db2.gz UKPFOVHSTUTHBV-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CCC ZINC001317491890 991545338 /nfs/dbraw/zinc/54/53/38/991545338.db2.gz NPZJHMGCWOQHRU-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[NH+](CC#C)CC1(OC)CCCCCC1 ZINC001560672912 991548263 /nfs/dbraw/zinc/54/82/63/991548263.db2.gz XWIOPVPDJBSPRP-UHFFFAOYSA-N 1 0 233.355 2.294 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@H](OC)[C@@H](C)CC ZINC001560688080 991558068 /nfs/dbraw/zinc/55/80/68/991558068.db2.gz XHAUFGCXZHMYKF-KBPBESRZSA-N 1 0 221.344 2.006 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cccnc1N ZINC001560852811 991624879 /nfs/dbraw/zinc/62/48/79/991624879.db2.gz NNHCQLDPKQCBDY-UHFFFAOYSA-N 1 0 219.332 2.356 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1 ZINC001258717022 991641888 /nfs/dbraw/zinc/64/18/88/991641888.db2.gz GUTLXJIHHCVDDM-KGLIPLIRSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1 ZINC001258717024 991642912 /nfs/dbraw/zinc/64/29/12/991642912.db2.gz GUTLXJIHHCVDDM-UONOGXRCSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cncnc1 ZINC001258718139 991645913 /nfs/dbraw/zinc/64/59/13/991645913.db2.gz HVTGEXLUKQRURI-MNOVXSKESA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC001258717749 991645933 /nfs/dbraw/zinc/64/59/33/991645933.db2.gz YVTPSDSQIJMOSP-LLVKDONJSA-N 1 0 230.315 2.174 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)C(=O)NC2 ZINC001258719378 991650206 /nfs/dbraw/zinc/65/02/06/991650206.db2.gz CIXHNLLEWNYEGN-LLVKDONJSA-N 1 0 244.338 2.374 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CCn3ccnc32)CCOCC1 ZINC001560922585 991652592 /nfs/dbraw/zinc/65/25/92/991652592.db2.gz AIQVWZWJUBIVON-GFCCVEGCSA-N 1 0 247.342 2.043 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001318357849 991652777 /nfs/dbraw/zinc/65/27/77/991652777.db2.gz HEDBAKDCGOQGDR-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cncc(C(=O)OC)c1 ZINC001258721149 991652786 /nfs/dbraw/zinc/65/27/86/991652786.db2.gz NUVHLXGWRSHXJL-LLVKDONJSA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)c1ccncc1 ZINC001258722489 991654674 /nfs/dbraw/zinc/65/46/74/991654674.db2.gz PHZSFYSWZAOMFM-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C(=O)NC(C)C)C(C)C ZINC001258721975 991655018 /nfs/dbraw/zinc/65/50/18/991655018.db2.gz KJOFYRZMUFQFDP-STQMWFEESA-N 1 0 240.391 2.480 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](O)CC1 ZINC001258723801 991658223 /nfs/dbraw/zinc/65/82/23/991658223.db2.gz FKAJHWXFJPHZBC-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@]1(C)CCCN(C)C1 ZINC001258724220 991659325 /nfs/dbraw/zinc/65/93/25/991659325.db2.gz QMPZCWVVKHONBZ-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1(c2cnccn2)CC1 ZINC001258724140 991659658 /nfs/dbraw/zinc/65/96/58/991659658.db2.gz ODLBKNOBPBHGKI-LLVKDONJSA-N 1 0 217.316 2.410 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CCN(CCOC)CC1 ZINC001258723478 991660525 /nfs/dbraw/zinc/66/05/25/991660525.db2.gz WEFDUYQCAMKFFC-CYBMUJFWSA-N 1 0 240.391 2.042 20 30 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C=C[C@H](COC)[NH2+][C@@H](COC)Cc1ccccc1 ZINC001320417601 992197503 /nfs/dbraw/zinc/19/75/03/992197503.db2.gz QNTDDBOCXWKUSU-HUUCEWRRSA-N 1 0 249.354 2.035 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC001568623764 992200622 /nfs/dbraw/zinc/20/06/22/992200622.db2.gz WWJKCRKROISWGJ-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001568674609 992202190 /nfs/dbraw/zinc/20/21/90/992202190.db2.gz RDRQVXNNEUIKTH-OCCSQVGLSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC1(C)C ZINC001568623762 992202340 /nfs/dbraw/zinc/20/23/40/992202340.db2.gz WWJKCRKROISWGJ-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)/C=C(\C)CC ZINC001568628655 992202577 /nfs/dbraw/zinc/20/25/77/992202577.db2.gz DQDWKIJWCBUOHY-SRXBQZRASA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)CC[NH2+]CCC ZINC001568674929 992203094 /nfs/dbraw/zinc/20/30/94/992203094.db2.gz XVZSADHBLSTWTF-GXTWGEPZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1C ZINC001568723576 992208371 /nfs/dbraw/zinc/20/83/71/992208371.db2.gz IDAWHSRCXZIKIS-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)C(C)C ZINC001568725191 992209547 /nfs/dbraw/zinc/20/95/47/992209547.db2.gz FZAKYGVDYAZDBO-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)C1(C)CC1 ZINC001568855333 992232640 /nfs/dbraw/zinc/23/26/40/992232640.db2.gz ZFVADARQMAXWMV-VOTSOKGWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)CC[NH2+]CC)CCC1 ZINC001320542320 992235144 /nfs/dbraw/zinc/23/51/44/992235144.db2.gz GEWRMMOZINDHTG-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[NH+](C)C1(CNc2cccc(CC#N)n2)CCC1 ZINC001320551506 992240621 /nfs/dbraw/zinc/24/06/21/992240621.db2.gz XUMCIXDUWGOKTD-UHFFFAOYSA-N 1 0 244.342 2.044 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC(C)(C)C ZINC001568980307 992253956 /nfs/dbraw/zinc/25/39/56/992253956.db2.gz CWWUDDGZQNBABY-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H](C)CCC ZINC001568985211 992257864 /nfs/dbraw/zinc/25/78/64/992257864.db2.gz PFBRWZFPPZQVLT-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)c1ccsc1 ZINC001569043653 992277427 /nfs/dbraw/zinc/27/74/27/992277427.db2.gz DKISZMHNAIZLHB-JTQLQIEISA-N 1 0 238.356 2.032 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccoc2C)C1 ZINC001261367255 992278590 /nfs/dbraw/zinc/27/85/90/992278590.db2.gz YNWKCENFYXMGCP-ZDUSSCGKSA-N 1 0 221.300 2.365 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001569073082 992294846 /nfs/dbraw/zinc/29/48/46/992294846.db2.gz FDMLBCGMTPPEDZ-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](CCC)C(C)C ZINC001569083348 992301238 /nfs/dbraw/zinc/30/12/38/992301238.db2.gz VXJIBKOHJPKHCQ-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@H](C)CCC ZINC001320694829 992319640 /nfs/dbraw/zinc/31/96/40/992319640.db2.gz ZPJVPSDCXFRQSF-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)/C(C)=C\C ZINC001320706138 992322600 /nfs/dbraw/zinc/32/26/00/992322600.db2.gz ZMYDOWSFNKYSPN-MLPAPPSSSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)/C(C)=C/C ZINC001320706137 992325863 /nfs/dbraw/zinc/32/58/63/992325863.db2.gz ZMYDOWSFNKYSPN-AWNIVKPZSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]([NH3+])C1CCCCC1 ZINC001261492540 992339100 /nfs/dbraw/zinc/33/91/00/992339100.db2.gz JNDZONCWKHKGID-CYBMUJFWSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C(C)=C1CCC1 ZINC001569201280 992345660 /nfs/dbraw/zinc/34/56/60/992345660.db2.gz QMRYWVFZSWFVBI-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(OC)cc1F ZINC001261513109 992356198 /nfs/dbraw/zinc/35/61/98/992356198.db2.gz JWPJZCAHFPAJOW-NSHDSACASA-N 1 0 239.290 2.125 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H]1CNC(=O)CC ZINC001569344041 992359134 /nfs/dbraw/zinc/35/91/34/992359134.db2.gz AVUDITHLWKTTKA-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C[C@H]2CC=CCC2)CC1 ZINC001569412253 992387995 /nfs/dbraw/zinc/38/79/95/992387995.db2.gz CUFGGBROEQDASL-ZDUSSCGKSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCC[NH+]1CC(N(C)C(=O)CCCC)C1 ZINC001569483341 992398071 /nfs/dbraw/zinc/39/80/71/992398071.db2.gz OCPUOZCGILRPOY-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H]1C[NH2+]C(C)C ZINC001569552561 992406454 /nfs/dbraw/zinc/40/64/54/992406454.db2.gz GZVWRMUDNHJMMW-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CC(=C)C)C1 ZINC001569632575 992411586 /nfs/dbraw/zinc/41/15/86/992411586.db2.gz VVKPVROOMGQKHD-AWEZNQCLSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CCCC)C1 ZINC001569659156 992418689 /nfs/dbraw/zinc/41/86/89/992418689.db2.gz UOXJJGKQHSBKOJ-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2occc2C)C1 ZINC001320967171 992420458 /nfs/dbraw/zinc/42/04/58/992420458.db2.gz BJOUONXIEOPLJC-LBPRGKRZSA-N 1 0 221.300 2.365 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CCC=CO1 ZINC001320983413 992424472 /nfs/dbraw/zinc/42/44/72/992424472.db2.gz WNUPGDKVQHFVHU-ZDUSSCGKSA-N 1 0 205.301 2.024 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc[nH]1 ZINC001261640947 992435453 /nfs/dbraw/zinc/43/54/53/992435453.db2.gz RITIAUFRFNPOSS-WDEREUQCSA-N 1 0 220.320 2.029 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc[nH]1 ZINC001261640945 992436587 /nfs/dbraw/zinc/43/65/87/992436587.db2.gz RITIAUFRFNPOSS-MNOVXSKESA-N 1 0 220.320 2.029 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)c2ccccc2)CCC1 ZINC001570096137 992438266 /nfs/dbraw/zinc/43/82/66/992438266.db2.gz MMJLXZXCWGDZFW-UHFFFAOYSA-N 1 0 244.338 2.115 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)CC(C)C ZINC001570451242 992470928 /nfs/dbraw/zinc/47/09/28/992470928.db2.gz CAJIDEXOIVKKGG-NSHDSACASA-N 1 0 246.782 2.269 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1C=CCC1 ZINC001570452824 992471349 /nfs/dbraw/zinc/47/13/49/992471349.db2.gz ASMUAOGEKKASRX-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)/C=C(/C)C2CC2)C1 ZINC001570555077 992480486 /nfs/dbraw/zinc/48/04/86/992480486.db2.gz FPGQAMPSXQRMME-XFFZJAGNSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C)CC1 ZINC001570604670 992487802 /nfs/dbraw/zinc/48/78/02/992487802.db2.gz MVCFKDKTKOUCQK-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C ZINC001570636891 992491255 /nfs/dbraw/zinc/49/12/55/992491255.db2.gz OSUIQGFHNQFJPE-NWDGAFQWSA-N 1 0 240.391 2.480 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC)CCC1 ZINC001570630901 992491418 /nfs/dbraw/zinc/49/14/18/992491418.db2.gz NFADTSNGGMIQQT-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)[C@H](C)[NH2+]CC)CCC1 ZINC001570630900 992492453 /nfs/dbraw/zinc/49/24/53/992492453.db2.gz NFADTSNGGMIQQT-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC/C=C/C[NH2+]CCC ZINC001321229957 992495605 /nfs/dbraw/zinc/49/56/05/992495605.db2.gz AYZXSDYXSHGLOD-MYSGNRETSA-N 1 0 238.375 2.261 20 30 BEEDRO C#CCCCCC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001570706455 992508763 /nfs/dbraw/zinc/50/87/63/992508763.db2.gz OFLGLUWNHNMEGD-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCOC(=O)N(C)C ZINC001321328891 992517990 /nfs/dbraw/zinc/51/79/90/992517990.db2.gz JYCGLFPRDUGLBI-UHFFFAOYSA-N 1 0 242.363 2.363 20 30 BEEDRO C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C(C)C ZINC001570815534 992523180 /nfs/dbraw/zinc/52/31/80/992523180.db2.gz DYBPQDNCMUSJBU-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)c1cc[nH]c1 ZINC001570810227 992524062 /nfs/dbraw/zinc/52/40/62/992524062.db2.gz LBWFZLHMJQIGPF-ZDUSSCGKSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001571086864 992533329 /nfs/dbraw/zinc/53/33/29/992533329.db2.gz HYYOXIODYZUBDU-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H](C[NH2+]CC)C1CC1 ZINC001571361248 992541193 /nfs/dbraw/zinc/54/11/93/992541193.db2.gz KKARORQCXXMLTE-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC ZINC001571373928 992542960 /nfs/dbraw/zinc/54/29/60/992542960.db2.gz RFEPPLSDZSFYQO-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)CCCC ZINC001571377350 992545268 /nfs/dbraw/zinc/54/52/68/992545268.db2.gz KEKJJEYMXUZYRN-NSHDSACASA-N 1 0 246.782 2.366 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](F)CC ZINC001571400035 992550474 /nfs/dbraw/zinc/55/04/74/992550474.db2.gz CRCXFPPOZRXFPA-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001571402538 992551121 /nfs/dbraw/zinc/55/11/21/992551121.db2.gz YHNJJNAPKPWYSI-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]([NH2+]CC(C)C)C[C@@H]1C ZINC001571472341 992568790 /nfs/dbraw/zinc/56/87/90/992568790.db2.gz CHOFYSMKJCSBFJ-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)CC1CC1)C(C)(C)C ZINC001571616856 992576547 /nfs/dbraw/zinc/57/65/47/992576547.db2.gz OKLHVXOGFQSPAF-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)CC1CC1)C(C)(C)C ZINC001571616857 992578400 /nfs/dbraw/zinc/57/84/00/992578400.db2.gz OKLHVXOGFQSPAF-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[N@H+]1CC=C(CNC(=O)CC)CC1 ZINC001571679698 992581539 /nfs/dbraw/zinc/58/15/39/992581539.db2.gz JSLISUGPBWPHQF-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC001262010436 992595209 /nfs/dbraw/zinc/59/52/09/992595209.db2.gz FIHZTQLWEJLADN-ZDUSSCGKSA-N 1 0 241.400 2.407 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC001262112776 992685216 /nfs/dbraw/zinc/68/52/16/992685216.db2.gz SJMRFOZXEXCPIR-DOMZBBRYSA-N 1 0 249.329 2.121 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc2c1OCO2 ZINC001262203150 992800647 /nfs/dbraw/zinc/80/06/47/992800647.db2.gz MMZSQHFCCXSJFZ-MNOVXSKESA-N 1 0 249.310 2.267 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+]CCCCC1(C#N)CCC1 ZINC001262253357 992820923 /nfs/dbraw/zinc/82/09/23/992820923.db2.gz OVZGYWGGFUVQEJ-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CC[N@@H+](CCCC(F)(F)F)C1CC1 ZINC001262366420 992861536 /nfs/dbraw/zinc/86/15/36/992861536.db2.gz FQEKFWSMUHMMOG-UHFFFAOYSA-N 1 0 205.223 2.427 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c(C)cnn1COC ZINC001262369390 992863715 /nfs/dbraw/zinc/86/37/15/992863715.db2.gz DEOUYORCMKUECS-CYBMUJFWSA-N 1 0 249.358 2.336 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCNC(C)(C)C1 ZINC001574545254 992875427 /nfs/dbraw/zinc/87/54/27/992875427.db2.gz OXSQDSVCFSYIRX-UHFFFAOYSA-N 1 0 222.376 2.254 20 30 BEEDRO C#CCCN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC001574584070 992878287 /nfs/dbraw/zinc/87/82/87/992878287.db2.gz VIWOLDMGNFVDLR-CYBMUJFWSA-N 1 0 214.312 2.308 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)CCCC ZINC001574849490 992925954 /nfs/dbraw/zinc/92/59/54/992925954.db2.gz NQSOANOQRFJONR-GHMZBOCLSA-N 1 0 246.782 2.493 20 30 BEEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC001262558557 992910002 /nfs/dbraw/zinc/91/00/02/992910002.db2.gz JAGFKUXSVPWTCP-UPJWGTAASA-N 1 0 249.358 2.366 20 30 BEEDRO C[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c1ccccn1 ZINC001262558599 992914556 /nfs/dbraw/zinc/91/45/56/992914556.db2.gz KFMBQBPYQNPGNF-QWHCGFSZSA-N 1 0 242.326 2.218 20 30 BEEDRO C[C@H](CC(C)(C)C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001262568473 992923808 /nfs/dbraw/zinc/92/38/08/992923808.db2.gz WRNHKPUFEZEIDW-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CC1CCC1 ZINC001574848650 992923961 /nfs/dbraw/zinc/92/39/61/992923961.db2.gz CSLMWLKUESBFOM-NSHDSACASA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[C@H]([NH3+])CC(C)C ZINC001574835562 992924623 /nfs/dbraw/zinc/92/46/23/992924623.db2.gz OSGSBFKJVAQPRA-GFCCVEGCSA-N 1 0 226.364 2.175 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)CCCC ZINC001574849493 992925349 /nfs/dbraw/zinc/92/53/49/992925349.db2.gz NQSOANOQRFJONR-WDEREUQCSA-N 1 0 246.782 2.493 20 30 BEEDRO C=C1CCC(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC001574859889 992929588 /nfs/dbraw/zinc/92/95/88/992929588.db2.gz RPZQNGGYXQXJQH-UHFFFAOYSA-N 1 0 236.359 2.121 20 30 BEEDRO C=C(CC)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC001574850306 992929628 /nfs/dbraw/zinc/92/96/28/992929628.db2.gz XCTBVROLJPVTDH-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CC(C)(C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC001574870324 992932271 /nfs/dbraw/zinc/93/22/71/992932271.db2.gz CIQNFYUHKYJQLI-UHFFFAOYSA-N 1 0 244.338 2.483 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@](C)(C[NH3+])CC(C)C ZINC001574872115 992932414 /nfs/dbraw/zinc/93/24/14/992932414.db2.gz GULFOUWLQYGPPS-CQSZACIVSA-N 1 0 240.391 2.326 20 30 BEEDRO C=CC1(CC(=O)N2CC[NH2+][C@H]3C[C@H]32)CCCCC1 ZINC001574880918 992936304 /nfs/dbraw/zinc/93/63/04/992936304.db2.gz UMEZMQDGFQROCE-QWHCGFSZSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC001574901629 992941640 /nfs/dbraw/zinc/94/16/40/992941640.db2.gz ORAFOSKWRSGYFZ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCC(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC001574901953 992941934 /nfs/dbraw/zinc/94/19/34/992941934.db2.gz XXEDYCUEZQCXNK-JSGCOSHPSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCCC(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC001574901954 992942248 /nfs/dbraw/zinc/94/22/48/992942248.db2.gz XXEDYCUEZQCXNK-OCCSQVGLSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC2)C1 ZINC001574900102 992942716 /nfs/dbraw/zinc/94/27/16/992942716.db2.gz PSWPZDVSDKIFCT-XQQFMLRXSA-N 1 0 208.349 2.073 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CC(F)(F)CN1 ZINC001574900419 992943309 /nfs/dbraw/zinc/94/33/09/992943309.db2.gz ZFKSAJWKKCLBNA-SNVBAGLBSA-N 1 0 232.318 2.318 20 30 BEEDRO C=CC[C@@H]1N(C(=O)C[C@H](C)[NH3+])CCCC1(C)C ZINC001574900339 992943455 /nfs/dbraw/zinc/94/34/55/992943455.db2.gz VGAANCURXAJZRL-RYUDHWBXSA-N 1 0 238.375 2.317 20 30 BEEDRO CC(C)([NH3+])CCNc1c(C#N)cccc1[N+](=O)[O-] ZINC001575354023 993019462 /nfs/dbraw/zinc/01/94/62/993019462.db2.gz BQZNZPNPSTYYGN-UHFFFAOYSA-N 1 0 248.286 2.006 20 30 BEEDRO CC(C)[C@H](C[NH3+])CN(CCC#N)CC(C)(C)C ZINC001575423809 993040479 /nfs/dbraw/zinc/04/04/79/993040479.db2.gz YKYPFOXLJNKYSZ-CYBMUJFWSA-N 1 0 239.407 2.479 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@H](C)C1(C)CC1 ZINC001263091841 993106865 /nfs/dbraw/zinc/10/68/65/993106865.db2.gz XNPXXQGOHQSAAF-NEPJUHHUSA-N 1 0 238.375 2.317 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC001263109653 993120875 /nfs/dbraw/zinc/12/08/75/993120875.db2.gz CGPUZSANMBCQQD-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@](C)(CC)C1CC1 ZINC001263171300 993147893 /nfs/dbraw/zinc/14/78/93/993147893.db2.gz NCWJWHHJMYJBQQ-GXTWGEPZSA-N 1 0 238.375 2.365 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H](OC)C[C@@H]1C ZINC000379602521 993262413 /nfs/dbraw/zinc/26/24/13/993262413.db2.gz LHKLRZFUYIUGDF-TUAOUCFPSA-N 1 0 210.321 2.178 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C1CS(=O)(=O)C1 ZINC000379984523 993304677 /nfs/dbraw/zinc/30/46/77/993304677.db2.gz JYYBEDFPHUEABL-NSHDSACASA-N 1 0 247.404 2.122 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccoc1 ZINC000380142410 993315186 /nfs/dbraw/zinc/31/51/86/993315186.db2.gz VXOVYEDSVQHYQA-CMPLNLGQSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CC(C)(C)CC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001263529113 993365339 /nfs/dbraw/zinc/36/53/39/993365339.db2.gz YCJMXCGEEJVYNL-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C[C@@H]1CCCN(Cc2csc(C#N)c2)[C@H]1C[NH3+] ZINC001576708542 993399384 /nfs/dbraw/zinc/39/93/84/993399384.db2.gz FRQAAHFBDWLHLD-MFKMUULPSA-N 1 0 249.383 2.179 20 30 BEEDRO C=CC[N@H+](Cc1cccc(N)n1)C(C)(C)C ZINC000382069112 993439735 /nfs/dbraw/zinc/43/97/35/993439735.db2.gz FJKRDCAITVANJJ-UHFFFAOYSA-N 1 0 219.332 2.450 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(C#N)s1 ZINC001576880788 993441474 /nfs/dbraw/zinc/44/14/74/993441474.db2.gz IOSALUZTLBMKIY-VWYCJHECSA-N 1 0 249.383 2.190 20 30 BEEDRO C#CCCC[N@@H+](C)CC1CC(F)(F)C1 ZINC000383476315 993492449 /nfs/dbraw/zinc/49/24/49/993492449.db2.gz DEQCULIAGLSUNC-UHFFFAOYSA-N 1 0 201.260 2.377 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000383766717 993518269 /nfs/dbraw/zinc/51/82/69/993518269.db2.gz MNAVZKDCIDUEHX-CHWSQXEVSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCC[C@H](C(=O)OC)C1 ZINC000383766725 993518329 /nfs/dbraw/zinc/51/83/29/993518329.db2.gz MNAVZKDCIDUEHX-STQMWFEESA-N 1 0 237.343 2.111 20 30 BEEDRO C=C(CC)C(=O)NC(C)(C)CCC[NH+](C)C ZINC001263837285 993543212 /nfs/dbraw/zinc/54/32/12/993543212.db2.gz AHLXQIKXEKGVGR-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C)CC=CC2)C1 ZINC001263842210 993546778 /nfs/dbraw/zinc/54/67/78/993546778.db2.gz KOLQMYINCLJHHW-BETUJISGSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)C)C1 ZINC001263853871 993558273 /nfs/dbraw/zinc/55/82/73/993558273.db2.gz JPJZJQXCIYCWNE-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCCC[C@H]([NH3+])C(=O)N1CC(F)C1 ZINC001577426430 993664969 /nfs/dbraw/zinc/66/49/69/993664969.db2.gz ONGYHIZOZOKEPP-LBPRGKRZSA-N 1 0 244.354 2.245 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CCC=C)C1 ZINC001264415936 993720699 /nfs/dbraw/zinc/72/06/99/993720699.db2.gz JDYRCNJNRLAGPB-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H](C)CC)C1 ZINC001264419951 993724774 /nfs/dbraw/zinc/72/47/74/993724774.db2.gz KFARDWKAYAVZHN-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]CC1(C#N)CC1 ZINC000389282629 993743716 /nfs/dbraw/zinc/74/37/16/993743716.db2.gz SPXIKJLNCYQOCW-SSDOTTSWSA-N 1 0 206.211 2.221 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000390499079 993792050 /nfs/dbraw/zinc/79/20/50/993792050.db2.gz TYSHIHUJGFQKRT-CHWSQXEVSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC ZINC001265076924 993813227 /nfs/dbraw/zinc/81/32/27/993813227.db2.gz DJEDPUPCUVAOPB-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCCNC(=O)C(F)F ZINC001265096499 993813919 /nfs/dbraw/zinc/81/39/19/993813919.db2.gz BBOXEXKLVHAGGL-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001265227382 993820357 /nfs/dbraw/zinc/82/03/57/993820357.db2.gz UQMXMLHTSNQUTB-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001265227383 993821793 /nfs/dbraw/zinc/82/17/93/993821793.db2.gz UQMXMLHTSNQUTB-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001265276062 993831567 /nfs/dbraw/zinc/83/15/67/993831567.db2.gz YIMBXQHXYHSLNY-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]([NH2+]CC)C1CC1 ZINC001265365529 993845858 /nfs/dbraw/zinc/84/58/58/993845858.db2.gz ARGKMDJAYAPCHK-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C/C(C)=C/CC(=O)N1CC[C@H]([NH2+]CC(=C)C)C1 ZINC001265443325 993858423 /nfs/dbraw/zinc/85/84/23/993858423.db2.gz XWWFNNQKFFLGBH-BLXFFLACSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001265485069 993864659 /nfs/dbraw/zinc/86/46/59/993864659.db2.gz WSSBZKQADLXSLU-SRVKXCTJSA-N 1 0 238.375 2.091 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)cc1C#N ZINC000701817930 993914805 /nfs/dbraw/zinc/91/48/05/993914805.db2.gz LEVAVYFIDGRAGT-IUODEOHRSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C1(CCC)CC1 ZINC001265821636 993952115 /nfs/dbraw/zinc/95/21/15/993952115.db2.gz XFOPXXONGCFHRV-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)C ZINC001265852618 993961653 /nfs/dbraw/zinc/96/16/53/993961653.db2.gz GLVREWQOEOHKQY-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)c1ccc(C)cc1 ZINC001265856141 993961557 /nfs/dbraw/zinc/96/15/57/993961557.db2.gz KPICEVHPJIJFDV-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C(C)(C)C ZINC000702310048 993983595 /nfs/dbraw/zinc/98/35/95/993983595.db2.gz IQIHJDJHMDCTKU-KGLIPLIRSA-N 1 0 249.329 2.497 20 30 BEEDRO C#CC[NH2+]C[C@H](O)CCCCCCCC ZINC000702326133 993983742 /nfs/dbraw/zinc/98/37/42/993983742.db2.gz SEMKQGUWKZOQCR-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C(C)(C)C ZINC000702310050 993985762 /nfs/dbraw/zinc/98/57/62/993985762.db2.gz IQIHJDJHMDCTKU-ZIAGYGMSSA-N 1 0 249.329 2.497 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(F)ccc1C ZINC000393800787 994009570 /nfs/dbraw/zinc/00/95/70/994009570.db2.gz QCSGWTFXQLLJTR-CYBMUJFWSA-N 1 0 223.291 2.425 20 30 BEEDRO C=CCC[N@H+](CC)CCCNC(=O)[C@H]1C[C@@H]1C ZINC001266017098 994013983 /nfs/dbraw/zinc/01/39/83/994013983.db2.gz MMJYZUXSJZUMEF-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO CCOC(C)(C)C[NH+]1CCC(C#N)CC1 ZINC000702659481 994031435 /nfs/dbraw/zinc/03/14/35/994031435.db2.gz GUJBGOFVLDHRJK-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)CCCC ZINC001266128278 994041953 /nfs/dbraw/zinc/04/19/53/994041953.db2.gz WPASAZGEYPBEKW-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CCCC ZINC001266128279 994044139 /nfs/dbraw/zinc/04/41/39/994044139.db2.gz WPASAZGEYPBEKW-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CCC1CC1 ZINC001266134793 994046394 /nfs/dbraw/zinc/04/63/94/994046394.db2.gz ZUICYGXWJWEPSF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)CC(C)C)CC1 ZINC001266176695 994054037 /nfs/dbraw/zinc/05/40/37/994054037.db2.gz XYXTVQPPALTGTA-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CCCC)C1 ZINC001279958328 994088700 /nfs/dbraw/zinc/08/87/00/994088700.db2.gz NAHPOXCUVVVNBJ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CCC)C1 ZINC001279940058 994092765 /nfs/dbraw/zinc/09/27/65/994092765.db2.gz CODHEJLCARKEBR-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@@H]1CC[N@@H+]1CC ZINC001316604935 994130597 /nfs/dbraw/zinc/13/05/97/994130597.db2.gz HZSPXEVAQSLIGE-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CC[N@H+]1CC ZINC001316606631 994136199 /nfs/dbraw/zinc/13/61/99/994136199.db2.gz WYHGASZJMCIKBN-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)[C@@H](C)NC(C)=O ZINC001282083017 994196020 /nfs/dbraw/zinc/19/60/20/994196020.db2.gz JVYHZMGASSJMEN-VXGBXAGGSA-N 1 0 228.380 2.460 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CC1CC1 ZINC001282170429 994210008 /nfs/dbraw/zinc/21/00/08/994210008.db2.gz YKPZUFDWTIXCHY-WDEREUQCSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCF ZINC001282167920 994210456 /nfs/dbraw/zinc/21/04/56/994210456.db2.gz OGQNFQGHOPEHMX-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCF ZINC001282194573 994210604 /nfs/dbraw/zinc/21/06/04/994210604.db2.gz WJMRHKFLBZZYDN-MNOVXSKESA-N 1 0 244.354 2.041 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C)C1 ZINC001282182610 994211063 /nfs/dbraw/zinc/21/10/63/994211063.db2.gz DOXZCGXRMHGAPF-NEPJUHHUSA-N 1 0 238.375 2.234 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(CC)CC ZINC001282230531 994214242 /nfs/dbraw/zinc/21/42/42/994214242.db2.gz QMQCCNAPITXECT-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001316620020 994234727 /nfs/dbraw/zinc/23/47/27/994234727.db2.gz YIWSCAJZARTKTM-TXEJJXNPSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001282455573 994235958 /nfs/dbraw/zinc/23/59/58/994235958.db2.gz PMSVTBJOYCUMDG-GXTWGEPZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](CCN(C)C(=O)CCC)C(C)C ZINC001282549172 994242380 /nfs/dbraw/zinc/24/23/80/994242380.db2.gz GVZGHWDCXYTYMB-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)c1ccccc1 ZINC001283113712 994261554 /nfs/dbraw/zinc/26/15/54/994261554.db2.gz BAIFWFGFRKKEEN-ZDUSSCGKSA-N 1 0 246.354 2.361 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C(CC)CC ZINC001283569686 994282402 /nfs/dbraw/zinc/28/24/02/994282402.db2.gz HFRAZWKZPJUQRW-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCCC)C1 ZINC001284155748 994319971 /nfs/dbraw/zinc/31/99/71/994319971.db2.gz AFQWCMSVXUOKML-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCCC)C1 ZINC001284155742 994319986 /nfs/dbraw/zinc/31/99/86/994319986.db2.gz AFQWCMSVXUOKML-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCCC(C)C ZINC001293789580 994665826 /nfs/dbraw/zinc/66/58/26/994665826.db2.gz HFPLVQKUJSCSKQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@](C)(CC)C1 ZINC001293948656 994675103 /nfs/dbraw/zinc/67/51/03/994675103.db2.gz ASSDWJOOYLENNG-AWEZNQCLSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)CCC ZINC001491568907 994991658 /nfs/dbraw/zinc/99/16/58/994991658.db2.gz VQLFUOHAPMOFDB-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001491751827 994998693 /nfs/dbraw/zinc/99/86/93/994998693.db2.gz PZLRMDMHSSZXAZ-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)/C=C(\C)CC ZINC001492021586 995017608 /nfs/dbraw/zinc/01/76/08/995017608.db2.gz XMZLSNDSMYSNMO-XZHRJIJLSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)[C@@](C)(C=C)CC ZINC001492077293 995018977 /nfs/dbraw/zinc/01/89/77/995018977.db2.gz DBTRUHBGHGGDKC-OCCSQVGLSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)[C@H](C)[C@H](C)CC ZINC001492476217 995052578 /nfs/dbraw/zinc/05/25/78/995052578.db2.gz QSFMZOKWTLZJAI-CHWSQXEVSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)CC1CCCC1 ZINC001317222825 995069386 /nfs/dbraw/zinc/06/93/86/995069386.db2.gz DOWDQUYGISMVCC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc2ccoc21 ZINC001336932994 995123511 /nfs/dbraw/zinc/12/35/11/995123511.db2.gz CHMFYEGCWXTKTQ-AWEZNQCLSA-N 1 0 243.306 2.297 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CCN1CC ZINC001303334232 995149984 /nfs/dbraw/zinc/14/99/84/995149984.db2.gz BHKJTBLQWZUVJJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C)CCC ZINC001317441857 995237054 /nfs/dbraw/zinc/23/70/54/995237054.db2.gz FWZAGOJMQQLINM-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C[NH+](C)CCS[C@H](C#N)C1CCCC1 ZINC001307320321 995323906 /nfs/dbraw/zinc/32/39/06/995323906.db2.gz PYFMNZOAHOXVLT-LLVKDONJSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C[C@H]1C ZINC001307589078 995407476 /nfs/dbraw/zinc/40/74/76/995407476.db2.gz JYROVHVOYOKYSO-NWDGAFQWSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CCOCC[N@@H+](CCO)[C@H](C)c1ccccc1 ZINC001307592940 995413040 /nfs/dbraw/zinc/41/30/40/995413040.db2.gz QUBJEWDDKDZJOI-CQSZACIVSA-N 1 0 249.354 2.245 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCCC12CCOCC2 ZINC001307886729 995489326 /nfs/dbraw/zinc/48/93/26/995489326.db2.gz UGGXZDUYNDRFBC-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC001308042592 995534469 /nfs/dbraw/zinc/53/44/69/995534469.db2.gz INVJPRYJMJAUOA-JSGCOSHPSA-N 1 0 237.343 2.228 20 30 BEEDRO C=CCC[NH+]1CCC(c2ncccn2)CC1 ZINC001308090956 995545773 /nfs/dbraw/zinc/54/57/73/995545773.db2.gz PKLVLPQPCMAJJW-UHFFFAOYSA-N 1 0 217.316 2.232 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)CCC ZINC001498413228 1170052279 /nfs/dbraw/zinc/05/22/79/1170052279.db2.gz BJZMSPYQUVIJON-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@@H](C)CC[NH+](C)C ZINC001568240080 1170100172 /nfs/dbraw/zinc/10/01/72/1170100172.db2.gz UVKARVOJRBFESZ-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)/C(C)=C\C)CC1 ZINC001569570609 1170106308 /nfs/dbraw/zinc/10/63/08/1170106308.db2.gz YIBFOKIJXAQNMU-SDQBBNPISA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)/C(C)=C/C)CC1 ZINC001569570610 1170106554 /nfs/dbraw/zinc/10/65/54/1170106554.db2.gz YIBFOKIJXAQNMU-WUXMJOGZSA-N 1 0 236.359 2.109 20 30 BEEDRO CN(c1cc(F)ccc1C#N)[C@@H]1CCC[N@H+](C)C1 ZINC001611980143 1170446750 /nfs/dbraw/zinc/44/67/50/1170446750.db2.gz UTWXXIDAWQKPFX-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO CCN(CCC[NH+](C)C)c1cc(C)c(C#N)cn1 ZINC001612260981 1170453604 /nfs/dbraw/zinc/45/36/04/1170453604.db2.gz BKISHAMGUOZWEY-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO CC[N@@H+]1CCN(c2cc(F)ccc2C#N)[C@H](C)C1 ZINC001612370859 1170455524 /nfs/dbraw/zinc/45/55/24/1170455524.db2.gz NFUIJCSTOHKFCE-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[C@H]1CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001615871011 1170537309 /nfs/dbraw/zinc/53/73/09/1170537309.db2.gz PNQZMIXTEMHZOZ-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001617208038 1170583999 /nfs/dbraw/zinc/58/39/99/1170583999.db2.gz QUSSNVQDBYGDFB-MFKMUULPSA-N 1 0 215.300 2.231 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+]1CC[C@H](CC)[C@H]1C ZINC001617360041 1170587235 /nfs/dbraw/zinc/58/72/35/1170587235.db2.gz LAMLLAYEKGHFCR-GRYCIOLGSA-N 1 0 225.332 2.225 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1ccccc1C ZINC001618014005 1170612466 /nfs/dbraw/zinc/61/24/66/1170612466.db2.gz NHMQNHHOAQMIFE-UHFFFAOYSA-N 1 0 246.354 2.071 20 30 BEEDRO C#C[C@@H]1COCC[N@@H+]1C[C@@H]1CC2CCC1CC2 ZINC001618447352 1170635755 /nfs/dbraw/zinc/63/57/55/1170635755.db2.gz XBXFCETVUGUCNP-PFSRBDOWSA-N 1 0 233.355 2.147 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@H](O)CC12CCC2 ZINC001618676791 1170645797 /nfs/dbraw/zinc/64/57/97/1170645797.db2.gz MGOLJDNXUAKXQB-LBPRGKRZSA-N 1 0 222.332 2.060 20 30 BEEDRO C#CC[N@@H+](C[C@@H](CC(C)C)OC)C1CSC1 ZINC001620320495 1170663897 /nfs/dbraw/zinc/66/38/97/1170663897.db2.gz DNQXIFGCCUYQKW-CYBMUJFWSA-N 1 0 241.400 2.098 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001620437837 1170669415 /nfs/dbraw/zinc/66/94/15/1170669415.db2.gz RMTPMRKYFJNNES-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001620619216 1170689485 /nfs/dbraw/zinc/68/94/85/1170689485.db2.gz XKPKKPOCAOPSGU-LBPRGKRZSA-N 1 0 217.316 2.232 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)[C@H](C)CC)CC1CC1 ZINC001621159747 1170728122 /nfs/dbraw/zinc/72/81/22/1170728122.db2.gz HSVRPPQWBBBAHP-OCCSQVGLSA-N 1 0 223.360 2.393 20 30 BEEDRO CN(Cc1ccco1)Cc1cccc(C#N)n1 ZINC001621205273 1170740960 /nfs/dbraw/zinc/74/09/60/1170740960.db2.gz DXEYFALVCYWKQV-UHFFFAOYSA-N 1 0 227.267 2.178 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@@H]12 ZINC001621303729 1170766262 /nfs/dbraw/zinc/76/62/62/1170766262.db2.gz JPPSWDDQVXJAOR-UMSGYPCISA-N 1 0 237.343 2.130 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@@H]12 ZINC001621344879 1170775600 /nfs/dbraw/zinc/77/56/00/1170775600.db2.gz AMOUAKXIYCUYCI-UMSGYPCISA-N 1 0 237.343 2.130 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)OC)c1ccc(F)cc1 ZINC001621355092 1170777735 /nfs/dbraw/zinc/77/77/35/1170777735.db2.gz MXRMYZUNHMZQTB-GWCFXTLKSA-N 1 0 221.275 2.125 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cn(CCC)nc2C)C1 ZINC001621457367 1170816621 /nfs/dbraw/zinc/81/66/21/1170816621.db2.gz CLDKIRLMDYXJHS-CQSZACIVSA-N 1 0 245.370 2.447 20 30 BEEDRO C#C[C@@H](CO)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001621460929 1170818564 /nfs/dbraw/zinc/81/85/64/1170818564.db2.gz FTEJYHBOEABHKG-LBPRGKRZSA-N 1 0 243.281 2.063 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001621463522 1170821399 /nfs/dbraw/zinc/82/13/99/1170821399.db2.gz BJRAZEQGUCWKCD-CRWXNKLISA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001621463523 1170822701 /nfs/dbraw/zinc/82/27/01/1170822701.db2.gz BJRAZEQGUCWKCD-XDQVBPFNSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@@H]2C)C1 ZINC001621521663 1170834950 /nfs/dbraw/zinc/83/49/50/1170834950.db2.gz GVILHDYHGPAGJM-YHUYYLMFSA-N 1 0 248.414 2.498 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCCN1C ZINC001621552776 1170849355 /nfs/dbraw/zinc/84/93/55/1170849355.db2.gz TZJDVWSQDZJWFB-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)C(C)C)C1 ZINC001621574072 1170856564 /nfs/dbraw/zinc/85/65/64/1170856564.db2.gz CRGVNCYHQWILRK-AGIUHOORSA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009831 1171003880 /nfs/dbraw/zinc/00/38/80/1171003880.db2.gz WAWLDVDCTGHMKN-OLZOCXBDSA-N 1 0 230.311 2.272 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001626793347 1171137354 /nfs/dbraw/zinc/13/73/54/1171137354.db2.gz RJCQBXAIMZMTTL-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC001629379694 1171311070 /nfs/dbraw/zinc/31/10/70/1171311070.db2.gz OROWSEOWOPMWJR-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC001629379696 1171311465 /nfs/dbraw/zinc/31/14/65/1171311465.db2.gz OROWSEOWOPMWJR-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1c(C)cccc1F ZINC001631751875 1171475426 /nfs/dbraw/zinc/47/54/26/1171475426.db2.gz QPXZKMYWEQFMJO-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000186714920 136207846 /nfs/dbraw/zinc/20/78/46/136207846.db2.gz ZFQNOYHDZOADFW-CMPLNLGQSA-N 1 0 249.310 2.003 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000186714903 136207853 /nfs/dbraw/zinc/20/78/53/136207853.db2.gz ZFQNOYHDZOADFW-PWSUYJOCSA-N 1 0 249.310 2.003 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CCc1ccco1 ZINC000186718194 136207974 /nfs/dbraw/zinc/20/79/74/136207974.db2.gz BCIOVYQJEBKSPI-NEPJUHHUSA-N 1 0 223.316 2.127 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](CCCC(C)(C)C#N)CCN1C ZINC000357047335 136208448 /nfs/dbraw/zinc/20/84/48/136208448.db2.gz VIDFHKLGOFYFHC-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186687837 136207414 /nfs/dbraw/zinc/20/74/14/136207414.db2.gz ZVTLDBIHCXWPRQ-NWDGAFQWSA-N 1 0 235.327 2.288 20 30 BEEDRO CC(C)CON=C(N)COc1ccccc1 ZINC000085259957 136211697 /nfs/dbraw/zinc/21/16/97/136211697.db2.gz YMIXRGCELIHGQS-UHFFFAOYSA-N 1 0 222.288 2.010 20 30 BEEDRO CCC(CC)(C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000291789339 168325082 /nfs/dbraw/zinc/32/50/82/168325082.db2.gz VYZYWWPVWTVDPU-UHFFFAOYSA-N 1 0 249.358 2.192 20 30 BEEDRO C#CCN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000174951935 192025918 /nfs/dbraw/zinc/02/59/18/192025918.db2.gz DVUADTCGQIVEEV-MRXNPFEDSA-N 1 0 242.366 2.216 20 30 BEEDRO C#CC[N@@H+](CCc1ccc(OC)cc1)C1CC1 ZINC000274188639 398150035 /nfs/dbraw/zinc/15/00/35/398150035.db2.gz PTHCGBVLLWGMJB-UHFFFAOYSA-N 1 0 229.323 2.335 20 30 BEEDRO C=CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000161779329 349504853 /nfs/dbraw/zinc/50/48/53/349504853.db2.gz BNBKXAXLMMLJIQ-AWEZNQCLSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000161779181 349505191 /nfs/dbraw/zinc/50/51/91/349505191.db2.gz BNBKXAXLMMLJIQ-CQSZACIVSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000422906921 398157336 /nfs/dbraw/zinc/15/73/36/398157336.db2.gz KNVYNTSMQXYTAQ-UONOGXRCSA-N 1 0 246.354 2.221 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCSC2)ccc1C#N ZINC000309884800 178035498 /nfs/dbraw/zinc/03/54/98/178035498.db2.gz XPXDPYXZZZOYEM-CYBMUJFWSA-N 1 0 232.352 2.462 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)CF)ccc1C#N ZINC000308825064 178037342 /nfs/dbraw/zinc/03/73/42/178037342.db2.gz DJZGDJHMXQGZKE-SNVBAGLBSA-N 1 0 206.264 2.314 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccn(C(F)F)n2)C1 ZINC000424207839 398175721 /nfs/dbraw/zinc/17/57/21/398175721.db2.gz XRKTZHOLHQSYHA-DTWKUNHWSA-N 1 0 240.257 2.060 20 30 BEEDRO C=CC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000308965384 136217245 /nfs/dbraw/zinc/21/72/45/136217245.db2.gz VECXIQLLPKODLH-UHFFFAOYSA-N 1 0 203.285 2.460 20 30 BEEDRO C=CCC[C@@H](C)N[C@@H](CCC)C(=O)OC ZINC000308955672 136217254 /nfs/dbraw/zinc/21/72/54/136217254.db2.gz QOBWQINKIWPSSE-MNOVXSKESA-N 1 0 213.321 2.272 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1cnn(C)c1 ZINC000424292097 398180845 /nfs/dbraw/zinc/18/08/45/398180845.db2.gz GCRSFYTXMUBBIK-YUTCNCBUSA-N 1 0 249.358 2.052 20 30 BEEDRO COc1ccc([C@@H](C)CCNC(=[NH2+])N(C)C)cc1 ZINC000178582874 136217408 /nfs/dbraw/zinc/21/74/08/136217408.db2.gz IXWJLBDTTFVQOB-NSHDSACASA-N 1 0 249.358 2.065 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CC[C@H](O)CC1 ZINC000527124231 398167122 /nfs/dbraw/zinc/16/71/22/398167122.db2.gz ZXPIKFVWTYQYOS-HAQNSBGRSA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1cc([C@@H]2CCCN2CCC#N)on1 ZINC000052009582 398185835 /nfs/dbraw/zinc/18/58/35/398185835.db2.gz DMZIUMGKTWWJNG-JTQLQIEISA-N 1 0 205.261 2.034 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+]CCCCC#N ZINC000187950261 398191311 /nfs/dbraw/zinc/19/13/11/398191311.db2.gz VNBLHILOGQSJFI-SNVBAGLBSA-N 1 0 218.304 2.130 20 30 BEEDRO C=CCCCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000649385946 398193068 /nfs/dbraw/zinc/19/30/68/398193068.db2.gz HJKBJRPWLKOWCH-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](COC)CC(C)C ZINC000309164149 136217783 /nfs/dbraw/zinc/21/77/83/136217783.db2.gz IFJFWERJLUCXSU-VXGBXAGGSA-N 1 0 212.337 2.329 20 30 BEEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)(C)O ZINC000446802456 201695153 /nfs/dbraw/zinc/69/51/53/201695153.db2.gz GDDZLFDFRZRGFA-XQQFMLRXSA-N 1 0 238.375 2.454 20 30 BEEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)O ZINC000309371327 136218028 /nfs/dbraw/zinc/21/80/28/136218028.db2.gz QMCWMBNEZZFXMQ-UTUOFQBUSA-N 1 0 224.348 2.064 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000649958240 398197514 /nfs/dbraw/zinc/19/75/14/398197514.db2.gz QGKBQGPAOQXGNL-UMSGYPCISA-N 1 0 221.344 2.191 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000649976791 398204353 /nfs/dbraw/zinc/20/43/53/398204353.db2.gz RALQHKOMMBQUDM-IGQOVBAYSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CCN1CCC([NH2+]C2CC(CC)C2)CC1 ZINC000310003986 136220181 /nfs/dbraw/zinc/22/01/81/136220181.db2.gz FVQOMFWNTVUMOJ-UHFFFAOYSA-N 1 0 222.376 2.415 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCCC#N)C[C@H](C)O1 ZINC000111276658 136221491 /nfs/dbraw/zinc/22/14/91/136221491.db2.gz WNCAWFAARKZSPB-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)cc(C#N)n1 ZINC000342043346 178168363 /nfs/dbraw/zinc/16/83/63/178168363.db2.gz KMYWJCOHUOQMMG-CQSZACIVSA-N 1 0 244.342 2.014 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000649422667 398222200 /nfs/dbraw/zinc/22/22/00/398222200.db2.gz XUWBQDMMECQZPD-YNEHKIRRSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@]1(O)CCSC1 ZINC000122396965 136222230 /nfs/dbraw/zinc/22/22/30/136222230.db2.gz JNEFOKSUUMAIGX-VXGBXAGGSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CC(C)C ZINC000340678888 136222416 /nfs/dbraw/zinc/22/24/16/136222416.db2.gz ZAYUMHXQWHWRAD-CYBMUJFWSA-N 1 0 238.375 2.163 20 30 BEEDRO C[N@H+](Cc1cc(F)cc(C#N)c1)C1CC1 ZINC000163540915 538929316 /nfs/dbraw/zinc/92/93/16/538929316.db2.gz TYRRIOJFMUQEAP-UHFFFAOYSA-N 1 0 204.248 2.292 20 30 BEEDRO C[C@H](CF)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421357849 192332160 /nfs/dbraw/zinc/33/21/60/192332160.db2.gz REUZZKPWRORBJB-MRVPVSSYSA-N 1 0 210.227 2.145 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000421357720 192332430 /nfs/dbraw/zinc/33/24/30/192332430.db2.gz QDASJGAGRFWWPE-LLVKDONJSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[NH2+]Cc1cncc(OC)c1C ZINC000631173647 361780019 /nfs/dbraw/zinc/78/00/19/361780019.db2.gz REYZYOODRSFLPG-UHFFFAOYSA-N 1 0 206.289 2.064 20 30 BEEDRO CCCC[N@H+](CCO)C[C@@H](C)CCC#N ZINC000602436009 349523038 /nfs/dbraw/zinc/52/30/38/349523038.db2.gz XNTSIBAPCLGDGN-LBPRGKRZSA-N 1 0 212.337 2.021 20 30 BEEDRO C[C@H](CC1CCOCC1)[NH2+]CC1(CC#N)CC1 ZINC000430759692 398231188 /nfs/dbraw/zinc/23/11/88/398231188.db2.gz HGXVISIGZSGEIB-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CCN(CC#N)C1CCCC1 ZINC000161975164 349527045 /nfs/dbraw/zinc/52/70/45/349527045.db2.gz JQSACDGQSXWEQK-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO CCN(CCC#N)[C@H](C)c1cnc(C)nc1C ZINC000602439350 349525182 /nfs/dbraw/zinc/52/51/82/349525182.db2.gz YWUBKJLSNDNLTI-LLVKDONJSA-N 1 0 232.331 2.390 20 30 BEEDRO N#Cc1cccc(C[NH+]2CCC(CCO)CC2)c1 ZINC000400942999 259305932 /nfs/dbraw/zinc/30/59/32/259305932.db2.gz BWZVHBSEDCYZLI-UHFFFAOYSA-N 1 0 244.338 2.153 20 30 BEEDRO C=C(C)CN(CC)C(=O)N[C@@H](C[NH3+])CCCC ZINC000418446641 192036537 /nfs/dbraw/zinc/03/65/37/192036537.db2.gz OKNZYTXPKYGYRF-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ncccc1CC ZINC000356845893 259308047 /nfs/dbraw/zinc/30/80/47/259308047.db2.gz IPOBBEINNKQXNA-QWHCGFSZSA-N 1 0 248.370 2.479 20 30 BEEDRO C#CC[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181824829 136228029 /nfs/dbraw/zinc/22/80/29/136228029.db2.gz ZJARGMSULRTWBW-CQSZACIVSA-N 1 0 245.322 2.292 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CC(=O)OCC ZINC000343643662 365613246 /nfs/dbraw/zinc/61/32/46/365613246.db2.gz BBYDIJDHPSSQHQ-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C(C)C[NH2+]Cc1nn(C)c2ccccc12 ZINC000167558863 538942852 /nfs/dbraw/zinc/94/28/52/538942852.db2.gz OBMHWBHWFXVZJK-UHFFFAOYSA-N 1 0 215.300 2.239 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC#Cc1ccccc1 ZINC000286151212 398248943 /nfs/dbraw/zinc/24/89/43/398248943.db2.gz NQYQANGUNIRZHY-UHFFFAOYSA-N 1 0 211.308 2.382 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ncccc1CC ZINC000356845875 259308317 /nfs/dbraw/zinc/30/83/17/259308317.db2.gz IPOBBEINNKQXNA-CHWSQXEVSA-N 1 0 248.370 2.479 20 30 BEEDRO N#CCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000258937831 349535675 /nfs/dbraw/zinc/53/56/75/349535675.db2.gz PSMDENQHSKIQBV-UHFFFAOYSA-N 1 0 210.227 2.011 20 30 BEEDRO CCc1ccc(CC[NH2+]CCC#N)cc1 ZINC000258996412 349535835 /nfs/dbraw/zinc/53/58/35/349535835.db2.gz YJSORQJTPHMZKB-UHFFFAOYSA-N 1 0 202.301 2.295 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000287394569 538945261 /nfs/dbraw/zinc/94/52/61/538945261.db2.gz IVNBAEAWNNGZRD-WOPDTQHZSA-N 1 0 235.331 2.042 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C)nc1CC ZINC000167870518 538944450 /nfs/dbraw/zinc/94/44/50/538944450.db2.gz GNGMEFJAPZDOEN-UHFFFAOYSA-N 1 0 207.321 2.038 20 30 BEEDRO C=CCCCC[N@H+]1CCSC[C@@H]1CCO ZINC000576700171 365661536 /nfs/dbraw/zinc/66/15/36/365661536.db2.gz XPFWGXUPWXJMIR-LBPRGKRZSA-N 1 0 229.389 2.143 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cncn1C ZINC000289846666 538946162 /nfs/dbraw/zinc/94/61/62/538946162.db2.gz QFTBVWAKUMBXTN-QWRGUYRKSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000245498206 323006316 /nfs/dbraw/zinc/00/63/16/323006316.db2.gz VPZKSFKZHWNWMP-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000343517314 136230689 /nfs/dbraw/zinc/23/06/89/136230689.db2.gz YGBUMCIHAHGALK-HSBZDZAISA-N 1 0 238.375 2.378 20 30 BEEDRO CC(C)C[C@@H](CNc1ncccc1C#N)[NH+](C)C ZINC000073856051 343995872 /nfs/dbraw/zinc/99/58/72/343995872.db2.gz QCIBDQWTFVCXMY-ZDUSSCGKSA-N 1 0 246.358 2.341 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@](C)(OC)C1CC1 ZINC000602446554 349547345 /nfs/dbraw/zinc/54/73/45/349547345.db2.gz GRFOHWZVKCTSET-AAEUAGOBSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[N@@H+](C[C@H](C)C#N)C[C@@H](C)CCC#N ZINC000602448490 349549500 /nfs/dbraw/zinc/54/95/00/349549500.db2.gz VHQNCBXEYIIPQC-NWDGAFQWSA-N 1 0 207.321 2.408 20 30 BEEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@H](C)CCC#N ZINC000602448489 349549647 /nfs/dbraw/zinc/54/96/47/349549647.db2.gz VHQNCBXEYIIPQC-NEPJUHHUSA-N 1 0 207.321 2.408 20 30 BEEDRO CCC[C@H](C[N@H+](CCC#N)C(C)C)OC ZINC000602450483 349551696 /nfs/dbraw/zinc/55/16/96/349551696.db2.gz WRDOQOVCYQRANT-GFCCVEGCSA-N 1 0 212.337 2.426 20 30 BEEDRO CO[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602451142 349552267 /nfs/dbraw/zinc/55/22/67/349552267.db2.gz YGKWACOQAJGONH-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000602456230 349553690 /nfs/dbraw/zinc/55/36/90/349553690.db2.gz VSJCPVYYHUKHRJ-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(C#N)c1 ZINC000129605863 398263813 /nfs/dbraw/zinc/26/38/13/398263813.db2.gz NXUDIXZRGXVJMD-GDLCADMTSA-N 1 0 244.338 2.368 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000270863127 178365670 /nfs/dbraw/zinc/36/56/70/178365670.db2.gz AAIQGCOHVHCLKX-CYBMUJFWSA-N 1 0 244.342 2.156 20 30 BEEDRO CC(C)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000576777946 365684083 /nfs/dbraw/zinc/68/40/83/365684083.db2.gz MDKKOLOHINDVGS-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccon1 ZINC000602478686 349564240 /nfs/dbraw/zinc/56/42/40/349564240.db2.gz SAPCBEVUYMLXBU-SNVBAGLBSA-N 1 0 207.277 2.046 20 30 BEEDRO CCc1cc(C[NH2+]C2CCC(C#N)CC2)on1 ZINC000602500989 349560488 /nfs/dbraw/zinc/56/04/88/349560488.db2.gz SATUAWDSZSASJL-UHFFFAOYSA-N 1 0 233.315 2.409 20 30 BEEDRO Cn1cc(CCC[NH2+]C2CCC(C#N)CC2)cn1 ZINC000602525409 349577310 /nfs/dbraw/zinc/57/73/10/349577310.db2.gz AIRQJYJRXNQRDV-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCOC(C)(C)C ZINC000602526332 349577856 /nfs/dbraw/zinc/57/78/56/349577856.db2.gz VIJAZNWXVPVMCX-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO COc1ccc(C[NH2+]C[C@H](C)CCC#N)cc1O ZINC000602527308 349578240 /nfs/dbraw/zinc/57/82/40/349578240.db2.gz OFEJVIAHTZISDR-LLVKDONJSA-N 1 0 248.326 2.430 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602527586 349578341 /nfs/dbraw/zinc/57/83/41/349578341.db2.gz QUZZJHXFIUECFE-WXRRBKDZSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccccc1O ZINC000602529300 349579571 /nfs/dbraw/zinc/57/95/71/349579571.db2.gz UMRRTWMOTDYWIC-GFCCVEGCSA-N 1 0 232.327 2.464 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000602506432 349582534 /nfs/dbraw/zinc/58/25/34/349582534.db2.gz VNKBLHJUNLDTNW-LLVKDONJSA-N 1 0 246.310 2.445 20 30 BEEDRO COc1ncccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602507075 349583666 /nfs/dbraw/zinc/58/36/66/349583666.db2.gz AAJREAUMDVZANX-NSHDSACASA-N 1 0 233.315 2.120 20 30 BEEDRO COc1ncccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602509838 349584183 /nfs/dbraw/zinc/58/41/83/349584183.db2.gz USRQVSIFDHLYLW-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CN1CCCCC1 ZINC000602508635 349584334 /nfs/dbraw/zinc/58/43/34/349584334.db2.gz OJXXXLYOGUKCBN-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO COc1ccc(C[NH2+]C2CCC(C#N)CC2)cn1 ZINC000602511909 349584946 /nfs/dbraw/zinc/58/49/46/349584946.db2.gz VMVSRUZKSOSUOL-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO Cc1csc(C[NH2+]C[C@H](C)CCC#N)n1 ZINC000602510831 349585172 /nfs/dbraw/zinc/58/51/72/349585172.db2.gz PDDAIXKOHIKYPF-SECBINFHSA-N 1 0 223.345 2.481 20 30 BEEDRO CC(C)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602511058 349585291 /nfs/dbraw/zinc/58/52/91/349585291.db2.gz LMEBDSSYSYLXJY-UHFFFAOYSA-N 1 0 217.316 2.479 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCCCCC1 ZINC000602512118 349585838 /nfs/dbraw/zinc/58/58/38/349585838.db2.gz PVEVXUSYNUAZTL-AWEZNQCLSA-N 1 0 237.391 2.392 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602545048 349588865 /nfs/dbraw/zinc/58/88/65/349588865.db2.gz LWHRZOOLRKREPK-GFJIZPEISA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1CCSCC1 ZINC000602545065 349588892 /nfs/dbraw/zinc/58/88/92/349588892.db2.gz RUQVRHNDDZVWML-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]C[C@@H](C)CCC#N ZINC000602546402 349589369 /nfs/dbraw/zinc/58/93/69/349589369.db2.gz MHKCZYPNOKNZQU-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000602558723 349598631 /nfs/dbraw/zinc/59/86/31/349598631.db2.gz NTNWDPZNWLKIKE-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO CC1(C)[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H]2CCO[C@H]21 ZINC000602557857 349598652 /nfs/dbraw/zinc/59/86/52/349598652.db2.gz JPFBOKIQESISKF-PNKMZZHYSA-N 1 0 248.370 2.472 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]C[C@H](C)CCC#N ZINC000602558943 349599046 /nfs/dbraw/zinc/59/90/46/349599046.db2.gz QMVIZANZTKIMKZ-JHJVBQTASA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626177939 346842674 /nfs/dbraw/zinc/84/26/74/346842674.db2.gz ZKHOCKMPCYSGNJ-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000602548200 349590765 /nfs/dbraw/zinc/59/07/65/349590765.db2.gz RRIYLMGHXRTONO-NSHDSACASA-N 1 0 234.347 2.185 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1CO ZINC000335290521 343999900 /nfs/dbraw/zinc/99/99/00/343999900.db2.gz RUCRVDWABNGGBG-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@]1(C)CCCO1 ZINC000378865117 346849701 /nfs/dbraw/zinc/84/97/01/346849701.db2.gz YPYBYLIXFDKFOR-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000602551829 349593471 /nfs/dbraw/zinc/59/34/71/349593471.db2.gz KDXLERURSFRCTP-GNRIBBGQSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602555440 349596752 /nfs/dbraw/zinc/59/67/52/349596752.db2.gz HMXVCZIWEGYQLQ-BPCQOVAHSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CCCO1 ZINC000602578292 349606711 /nfs/dbraw/zinc/60/67/11/349606711.db2.gz XJBVMJBJINYOIQ-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCOCC1 ZINC000602582064 349609984 /nfs/dbraw/zinc/60/99/84/349609984.db2.gz NIFHHUBPOXUKTO-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]1C[C@H](C[NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602582280 349610059 /nfs/dbraw/zinc/61/00/59/349610059.db2.gz QNDUWOSJJMOEOC-RJZJGCCBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](C#N)CNC/C=C/c1ccccc1 ZINC000183831485 346858891 /nfs/dbraw/zinc/85/88/91/346858891.db2.gz NLCPBKTYCLRHMM-FZKGZDJFSA-N 1 0 200.285 2.449 20 30 BEEDRO Cc1ncc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000600165482 342694118 /nfs/dbraw/zinc/69/41/18/342694118.db2.gz QLBBQEMCJGDVQO-UHFFFAOYSA-N 1 0 207.277 2.013 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000600187376 342697736 /nfs/dbraw/zinc/69/77/36/342697736.db2.gz XUNMYSIKLZWNIU-NSHDSACASA-N 1 0 248.326 2.199 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CC2(C1)CCCO2 ZINC000600191403 342697923 /nfs/dbraw/zinc/69/79/23/342697923.db2.gz YITGVAUADYWJEZ-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000600204838 342701552 /nfs/dbraw/zinc/70/15/52/342701552.db2.gz MZIBWWBGSOXUKS-LBPRGKRZSA-N 1 0 242.338 2.377 20 30 BEEDRO COC1(C)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602591132 349614877 /nfs/dbraw/zinc/61/48/77/349614877.db2.gz LLTMETQJGAXVCF-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H](CO)c1cccnc1 ZINC000348689626 136236619 /nfs/dbraw/zinc/23/66/19/136236619.db2.gz XBBCRURETJSTIW-CABCVRRESA-N 1 0 248.370 2.492 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(F)c1F ZINC000320265710 342733229 /nfs/dbraw/zinc/73/32/29/342733229.db2.gz KREWRXOKAHMBOY-LLVKDONJSA-N 1 0 241.281 2.382 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCN(CC3CC3)C2)C1 ZINC000613254414 361859310 /nfs/dbraw/zinc/85/93/10/361859310.db2.gz JBUXVLPICHJWBA-RBSFLKMASA-N 1 0 247.386 2.143 20 30 BEEDRO COCCC1(C[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602566884 349618513 /nfs/dbraw/zinc/61/85/13/349618513.db2.gz CFQQEMTVLMZXQD-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)C1CCOCC1 ZINC000602565938 349618613 /nfs/dbraw/zinc/61/86/13/349618613.db2.gz CIJAZKADROYNSW-LKSINWNRSA-N 1 0 236.359 2.473 20 30 BEEDRO COCCC1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602566821 349618731 /nfs/dbraw/zinc/61/87/31/349618731.db2.gz BNJSOXAVBXVHFO-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](C)CCC#N)C1(C)C ZINC000602564989 349617010 /nfs/dbraw/zinc/61/70/10/349617010.db2.gz XUAYFSXLSIEJFC-GRYCIOLGSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCCCN(C)C(=O)N[C@H](C[NH3+])CCCC ZINC000418451681 192042962 /nfs/dbraw/zinc/04/29/62/192042962.db2.gz WDRQFPFTDCOZQL-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348689627 136236850 /nfs/dbraw/zinc/23/68/50/136236850.db2.gz XBBCRURETJSTIW-GJZGRUSLSA-N 1 0 248.370 2.492 20 30 BEEDRO CCC(CC)[NH2+]Cc1nc(C#N)cs1 ZINC000308725865 168389690 /nfs/dbraw/zinc/38/96/90/168389690.db2.gz GMWOYGAZKSZDIC-UHFFFAOYSA-N 1 0 209.318 2.293 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000232135161 342790125 /nfs/dbraw/zinc/79/01/25/342790125.db2.gz FDZMOSOCQQKXTQ-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO COC[C@H]([NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602571361 349621705 /nfs/dbraw/zinc/62/17/05/349621705.db2.gz KUKGDSHHBLUUJP-GDKBPFBDSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CN1C1CC1 ZINC000602569211 349620143 /nfs/dbraw/zinc/62/01/43/349620143.db2.gz NUUIUWHRUZNXDD-ABXWRUBCSA-N 1 0 247.386 2.284 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCCC[C@@H]1O ZINC000602570529 349620856 /nfs/dbraw/zinc/62/08/56/349620856.db2.gz BUGHBBWXWVVSGO-HZSPNIEDSA-N 1 0 238.375 2.457 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000336672217 342815609 /nfs/dbraw/zinc/81/56/09/342815609.db2.gz AEWCIZFUKXYSCL-OTDNITJGSA-N 1 0 236.340 2.036 20 30 BEEDRO CCN(Cc1nc(C#N)cs1)C1CCC1 ZINC000356132327 398289301 /nfs/dbraw/zinc/28/93/01/398289301.db2.gz HDUQXHVXFRRNHW-UHFFFAOYSA-N 1 0 221.329 2.389 20 30 BEEDRO CS[C@@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602573261 349622908 /nfs/dbraw/zinc/62/29/08/349622908.db2.gz ZVRPOUJDRIWEHY-ZJUUUORDSA-N 1 0 200.351 2.267 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(=O)OCC)[nH]1 ZINC000602603201 349626169 /nfs/dbraw/zinc/62/61/69/349626169.db2.gz MYQHHLDIIQTQFS-UHFFFAOYSA-N 1 0 236.315 2.199 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000357575688 398291251 /nfs/dbraw/zinc/29/12/51/398291251.db2.gz ZWZNCBPECOTXKE-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO COCC#CC[NH2+][C@H]1CCCCC1(C)C ZINC000379962607 538982956 /nfs/dbraw/zinc/98/29/56/538982956.db2.gz XMIWJHBJCVVHPL-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(C)C1 ZINC000379974295 538983090 /nfs/dbraw/zinc/98/30/90/538983090.db2.gz CSKBHAAFNMUIFU-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000304045642 398294194 /nfs/dbraw/zinc/29/41/94/398294194.db2.gz JOBRVIFTPHCWRS-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)o1 ZINC000153830405 398296143 /nfs/dbraw/zinc/29/61/43/398296143.db2.gz FNDGTACDBWBACR-MGPQQGTHSA-N 1 0 246.310 2.198 20 30 BEEDRO C=CC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000390179319 539020426 /nfs/dbraw/zinc/02/04/26/539020426.db2.gz JHISPVHANDNBPU-UHFFFAOYSA-N 1 0 218.300 2.179 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCCOC1 ZINC000602605845 349628066 /nfs/dbraw/zinc/62/80/66/349628066.db2.gz SWMISMZQBPJYII-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCO)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449356384 398297264 /nfs/dbraw/zinc/29/72/64/398297264.db2.gz HJSSUGNYRCXPLX-YNEHKIRRSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)[NH+](CCNc1ccnc(C#N)c1)C(C)C ZINC000061811569 398297945 /nfs/dbraw/zinc/29/79/45/398297945.db2.gz KKRDBPGMOBKJMP-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CC(C)(C)CCC#N ZINC000348846765 136241980 /nfs/dbraw/zinc/24/19/80/136241980.db2.gz GPPACIQTMRHSLS-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CCO[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000042422335 361997104 /nfs/dbraw/zinc/99/71/04/361997104.db2.gz JUCHRJUJIQFKAB-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000449549151 398301644 /nfs/dbraw/zinc/30/16/44/398301644.db2.gz VEZLZCIKPNTMEY-RQJABVFESA-N 1 0 221.344 2.498 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](OCC)C1CC1 ZINC000625081987 342850118 /nfs/dbraw/zinc/85/01/18/342850118.db2.gz WGSYAMBQOYVAAE-CYBMUJFWSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CCCCC[N@@H+](CCOC)[C@H]1CCOC1 ZINC000649514889 398305507 /nfs/dbraw/zinc/30/55/07/398305507.db2.gz XPRRFFKPICOICD-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO CO[C@H](C[NH2+]CC(C)(C)C#N)Cc1ccccc1 ZINC000602608616 349632071 /nfs/dbraw/zinc/63/20/71/349632071.db2.gz UGGHOUORXHXRHG-AWEZNQCLSA-N 1 0 246.354 2.383 20 30 BEEDRO CCOC(=O)C1(C)CC([NH2+][C@H](CC)CC#N)C1 ZINC000602609313 349632500 /nfs/dbraw/zinc/63/25/00/349632500.db2.gz BWPDPYHCPQNZDZ-XSRFYTQQSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000602607636 349631172 /nfs/dbraw/zinc/63/11/72/349631172.db2.gz RQYZYZQGEGAALX-UPJWGTAASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](NCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000019958436 398315620 /nfs/dbraw/zinc/31/56/20/398315620.db2.gz LCSDAUYNIGOBPK-LBPRGKRZSA-N 1 0 231.343 2.161 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000228025740 398321686 /nfs/dbraw/zinc/32/16/86/398321686.db2.gz BOTQPYZMYHSTCW-VXGBXAGGSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000602608841 349633013 /nfs/dbraw/zinc/63/30/13/349633013.db2.gz XHBPSMROQHNRQO-YPMHNXCESA-N 1 0 229.327 2.078 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCCOC1 ZINC000602609855 349633593 /nfs/dbraw/zinc/63/35/93/349633593.db2.gz XSJGOXARXZYKLY-RJZJGCCBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC(C)(CO)CC1 ZINC000602611358 349634908 /nfs/dbraw/zinc/63/49/08/349634908.db2.gz KOEBMFVBKPTDOU-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602612221 349635458 /nfs/dbraw/zinc/63/54/58/349635458.db2.gz OMUJOSSZWPRQEX-OLZOCXBDSA-N 1 0 249.358 2.367 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000602614422 349637300 /nfs/dbraw/zinc/63/73/00/349637300.db2.gz YOVAWNOUFSKSIY-AAEUAGOBSA-N 1 0 247.342 2.303 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000602614423 349637316 /nfs/dbraw/zinc/63/73/16/349637316.db2.gz YOVAWNOUFSKSIY-DGCLKSJQSA-N 1 0 247.342 2.303 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000602614425 349637350 /nfs/dbraw/zinc/63/73/50/349637350.db2.gz YOVAWNOUFSKSIY-YPMHNXCESA-N 1 0 247.342 2.303 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000602615649 349638263 /nfs/dbraw/zinc/63/82/63/349638263.db2.gz RCSMHMKSXGFWCZ-XQQFMLRXSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000602623061 349641601 /nfs/dbraw/zinc/64/16/01/349641601.db2.gz CZVCADXADXCYNA-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO COCC1=CC[N@H+](C[C@H](C)CCC#N)CC1 ZINC000602619648 349640534 /nfs/dbraw/zinc/64/05/34/349640534.db2.gz IMWPPWRTVUISPM-GFCCVEGCSA-N 1 0 222.332 2.205 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000602623059 349641155 /nfs/dbraw/zinc/64/11/55/349641155.db2.gz CZVCADXADXCYNA-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(CO)CCCC1 ZINC000602620643 349641202 /nfs/dbraw/zinc/64/12/02/349641202.db2.gz ZCCVKPYGIUYTAT-LBPRGKRZSA-N 1 0 224.348 2.069 20 30 BEEDRO CCC(O)(CC)CC[NH2+]C[C@H](C)CCC#N ZINC000602633741 349649650 /nfs/dbraw/zinc/64/96/50/349649650.db2.gz XYSTWBPMYJQCCB-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000602623570 349641912 /nfs/dbraw/zinc/64/19/12/349641912.db2.gz ILMBMWVXLMCNGJ-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CCC1([NH2+]C[C@H](C)CCC#N)CCOCC1 ZINC000602595747 349644035 /nfs/dbraw/zinc/64/40/35/349644035.db2.gz XTWWARGMFPBVMS-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000602652376 349660305 /nfs/dbraw/zinc/66/03/05/349660305.db2.gz CYUAMHOVYSIKLI-UPJWGTAASA-N 1 0 224.348 2.188 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602654027 349660943 /nfs/dbraw/zinc/66/09/43/349660943.db2.gz SKAMZVKFRLWQCY-AVGNSLFASA-N 1 0 224.348 2.473 20 30 BEEDRO CSC1(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602639352 349653141 /nfs/dbraw/zinc/65/31/41/349653141.db2.gz JZPSPJOLRJGKKC-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@H]1COCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602654302 349661008 /nfs/dbraw/zinc/66/10/08/349661008.db2.gz KVKNLDPYXNNXEY-AHPWVWPOSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@@H]1COCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602654305 349661017 /nfs/dbraw/zinc/66/10/17/349661017.db2.gz KVKNLDPYXNNXEY-ZIHBUVQPSA-N 1 0 236.359 2.331 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@H](C)CCC#N)[C@@H](C)C1 ZINC000602654655 349661168 /nfs/dbraw/zinc/66/11/68/349661168.db2.gz IMOMFJMVRFDCDT-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000602647671 349658476 /nfs/dbraw/zinc/65/84/76/349658476.db2.gz JWWPHIIKNGNDOK-YRGRVCCFSA-N 1 0 236.359 2.426 20 30 BEEDRO CO[C@@](C)(C[NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602675460 349668313 /nfs/dbraw/zinc/66/83/13/349668313.db2.gz JLAWOOYCZSDSFC-AAEUAGOBSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccnn1CC1CCC1 ZINC000631089552 398336648 /nfs/dbraw/zinc/33/66/48/398336648.db2.gz VXVOSVMQGNPENQ-LLVKDONJSA-N 1 0 219.332 2.347 20 30 BEEDRO CC(C)[N@@H+](C[C@H](C)CCC#N)[C@@H]1CCOC1 ZINC000602675537 349669075 /nfs/dbraw/zinc/66/90/75/349669075.db2.gz KMCNRDWECYIGFY-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO CCOCC(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602676145 349669360 /nfs/dbraw/zinc/66/93/60/349669360.db2.gz SJALCBKDJWOSCX-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1cc[nH]c(=O)c1 ZINC000602676745 349669878 /nfs/dbraw/zinc/66/98/78/349669878.db2.gz VTYYTQWWQAHFKE-WDEREUQCSA-N 1 0 233.315 2.378 20 30 BEEDRO Cc1nocc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000602676821 349669899 /nfs/dbraw/zinc/66/98/99/349669899.db2.gz RUFUITDOTXBXBY-CMPLNLGQSA-N 1 0 219.288 2.155 20 30 BEEDRO Cc1nocc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000602676825 349669971 /nfs/dbraw/zinc/66/99/71/349669971.db2.gz RUFUITDOTXBXBY-ZYHUDNBSSA-N 1 0 219.288 2.155 20 30 BEEDRO C=C(C)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000351728773 136249953 /nfs/dbraw/zinc/24/99/53/136249953.db2.gz ALKDOWXFVBYJCI-UHFFFAOYSA-N 1 0 247.298 2.314 20 30 BEEDRO N#CC1CCC([NH2+]CCCOC(F)F)CC1 ZINC000602658002 349662676 /nfs/dbraw/zinc/66/26/76/349662676.db2.gz GTLQHISYBQGAOH-UHFFFAOYSA-N 1 0 232.274 2.288 20 30 BEEDRO CO[C@H](C[NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000602658769 349663513 /nfs/dbraw/zinc/66/35/13/349663513.db2.gz YCUGJUXQMCMMRN-ORHYLEIMSA-N 1 0 236.359 2.331 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602658435 349663688 /nfs/dbraw/zinc/66/36/88/349663688.db2.gz XNFRCENUGVUELM-KBPBESRZSA-N 1 0 237.391 2.246 20 30 BEEDRO COC1(C[NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602671485 349665943 /nfs/dbraw/zinc/66/59/43/349665943.db2.gz JMAVCQVMUFMXTK-LBPRGKRZSA-N 1 0 224.348 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1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC(C(F)F)C1 ZINC000602688634 349679528 /nfs/dbraw/zinc/67/95/28/349679528.db2.gz NDDQMOHMUHVTPP-QMMMGPOBSA-N 1 0 202.248 2.123 20 30 BEEDRO C[C@@H](C#N)CNCc1ccc(F)cc1F ZINC000051017414 398339659 /nfs/dbraw/zinc/33/96/59/398339659.db2.gz GWDIEBLWIQOQIO-QMMMGPOBSA-N 1 0 210.227 2.214 20 30 BEEDRO CC(C)N1CC[C@H]([N@@H+](C)C[C@@H](C)CCC#N)C1 ZINC000602685510 349677071 /nfs/dbraw/zinc/67/70/71/349677071.db2.gz IDXRPIPHLKLFKT-KBPBESRZSA-N 1 0 237.391 2.341 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602685516 349677086 /nfs/dbraw/zinc/67/70/86/349677086.db2.gz IHJIPNUMMSQJHI-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(CF)CCOCC1 ZINC000602686028 349677103 /nfs/dbraw/zinc/67/71/03/349677103.db2.gz VARRWEBMZSPAMF-LBPRGKRZSA-N 1 0 242.338 2.282 20 30 BEEDRO CC(C)N1CC[C@@H]([N@@H+](C)C[C@H](C)CCC#N)C1 ZINC000602685513 349677130 /nfs/dbraw/zinc/67/71/30/349677130.db2.gz IDXRPIPHLKLFKT-ZIAGYGMSSA-N 1 0 237.391 2.341 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C[C@@H]1C ZINC000602685461 349677162 /nfs/dbraw/zinc/67/71/62/349677162.db2.gz PPRMDRPVLGSFSO-RWMBFGLXSA-N 1 0 224.348 2.283 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C[C@H]1C ZINC000602685460 349677239 /nfs/dbraw/zinc/67/72/39/349677239.db2.gz PPRMDRPVLGSFSO-JHJVBQTASA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000602688807 349679243 /nfs/dbraw/zinc/67/92/43/349679243.db2.gz DLKJPVPCSBUEQM-NDBYEHHHSA-N 1 0 224.348 2.329 20 30 BEEDRO CCOC1(C)C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602689180 349679295 /nfs/dbraw/zinc/67/92/95/349679295.db2.gz SUQNLELXYBUJCP-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)OC ZINC000602678579 349671543 /nfs/dbraw/zinc/67/15/43/349671543.db2.gz GMIHPIANOISRHF-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602679267 349671610 /nfs/dbraw/zinc/67/16/10/349671610.db2.gz QNIWPOUXCOZQIK-HTAVTVPLSA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@@H]([C@@H](C)[NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602679298 349671767 /nfs/dbraw/zinc/67/17/67/349671767.db2.gz CMPMDEZELGIDLB-LOWVWBTDSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000602680086 349672419 /nfs/dbraw/zinc/67/24/19/349672419.db2.gz ONKPZTCYNNOCOS-DRZSPHRISA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)C(F)F ZINC000602679659 349672448 /nfs/dbraw/zinc/67/24/48/349672448.db2.gz RNIJEHQQVQNETH-TVUZUIDESA-N 1 0 246.301 2.063 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)C(C)(C)O ZINC000602679916 349672454 /nfs/dbraw/zinc/67/24/54/349672454.db2.gz BJBVBSUJMSRFMZ-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCCCO)[NH2+]C[C@@H](C)CCC#N ZINC000602680103 349672494 /nfs/dbraw/zinc/67/24/94/349672494.db2.gz OUXAFKRRHOXQEB-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000602681415 349673507 /nfs/dbraw/zinc/67/35/07/349673507.db2.gz UKOGKSDJWRYVIF-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CCN1C ZINC000602681528 349673566 /nfs/dbraw/zinc/67/35/66/349673566.db2.gz VZWYRHFLYXYNDL-RFGFWPKPSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CCN1C ZINC000602681529 349673633 /nfs/dbraw/zinc/67/36/33/349673633.db2.gz VZWYRHFLYXYNDL-XDQVBPFNSA-N 1 0 235.375 2.141 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000602718935 349687808 /nfs/dbraw/zinc/68/78/08/349687808.db2.gz UEBZWSSCSKFATE-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)(CC#N)C[NH2+]CCC[C@@H]1CCO1 ZINC000602690282 349687715 /nfs/dbraw/zinc/68/77/15/349687715.db2.gz IIVVGJRCIGRCPU-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(CO)o1 ZINC000093533619 344016825 /nfs/dbraw/zinc/01/68/25/344016825.db2.gz LFWDUXVEBCCPDZ-UHFFFAOYSA-N 1 0 209.289 2.170 20 30 BEEDRO CCOC1CC([N@H+](C)C[C@@H](C)CCC#N)C1 ZINC000602669455 349685908 /nfs/dbraw/zinc/68/59/08/349685908.db2.gz ZITJTRJEALRUBY-HIFPTAJRSA-N 1 0 224.348 2.426 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000037748242 342951406 /nfs/dbraw/zinc/95/14/06/342951406.db2.gz RTUZUTSIXQBGDV-GFCCVEGCSA-N 1 0 218.325 2.153 20 30 BEEDRO CC(C)C[N@H+](CCN(C)C)C[C@@H](C)CCC#N ZINC000602659443 349680046 /nfs/dbraw/zinc/68/00/46/349680046.db2.gz OBSZKOWAQYIJBX-AWEZNQCLSA-N 1 0 239.407 2.446 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](C)CCC#N ZINC000602660382 349680311 /nfs/dbraw/zinc/68/03/11/349680311.db2.gz BRTHZLYMWOLJIH-ARSDKDGVSA-N 1 0 248.370 2.281 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602664765 349683739 /nfs/dbraw/zinc/68/37/39/349683739.db2.gz VEPNYIXOIZNBRW-WNYYMSAVSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602664764 349683857 /nfs/dbraw/zinc/68/38/57/349683857.db2.gz VEPNYIXOIZNBRW-HBIQZDMRSA-N 1 0 224.373 2.410 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000602692514 349689835 /nfs/dbraw/zinc/68/98/35/349689835.db2.gz AGMGVDMCWBQBNL-LBPRGKRZSA-N 1 0 246.358 2.108 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000602692456 349689860 /nfs/dbraw/zinc/68/98/60/349689860.db2.gz IASDTHGVMOTVHN-MXWKQRLJSA-N 1 0 246.301 2.065 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000602693263 349690174 /nfs/dbraw/zinc/69/01/74/349690174.db2.gz DZAITQUJJKKWDL-SDDRHHMPSA-N 1 0 205.305 2.208 20 30 BEEDRO CCC[C@@H](C[NH2+]CC1(C#N)CCC1)OC ZINC000602693638 349690886 /nfs/dbraw/zinc/69/08/86/349690886.db2.gz DFMCONMDNRZUHM-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000602695414 349691369 /nfs/dbraw/zinc/69/13/69/349691369.db2.gz SWERGXNIFRKROB-YVECIDJPSA-N 1 0 224.348 2.329 20 30 BEEDRO CCCC[C@](C)(CO)[NH2+]C[C@@H](C)CCC#N ZINC000602694749 349691499 /nfs/dbraw/zinc/69/14/99/349691499.db2.gz BZOOHRDEZMLNSV-QWHCGFSZSA-N 1 0 226.364 2.457 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000602695467 349692413 /nfs/dbraw/zinc/69/24/13/349692413.db2.gz WMYAZIANEFKPCD-UPJWGTAASA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000602695464 349692458 /nfs/dbraw/zinc/69/24/58/349692458.db2.gz WMYAZIANEFKPCD-AGIUHOORSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000624013898 346903234 /nfs/dbraw/zinc/90/32/34/346903234.db2.gz LNMJENOKCMCOLI-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO CCn1ccc(C[NH2+]C2CCC(C#N)CC2)n1 ZINC000602697440 349693197 /nfs/dbraw/zinc/69/31/97/349693197.db2.gz SJXFLGZBCIKULK-UHFFFAOYSA-N 1 0 232.331 2.075 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000602697590 349693391 /nfs/dbraw/zinc/69/33/91/349693391.db2.gz BXPZSEDIVZGOIA-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000602697707 349693481 /nfs/dbraw/zinc/69/34/81/349693481.db2.gz HQLIRUJHDIXGCT-OLZOCXBDSA-N 1 0 238.375 2.267 20 30 BEEDRO CC[C@@H](C)C[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602698749 349694331 /nfs/dbraw/zinc/69/43/31/349694331.db2.gz VDXXGBSCXLXLHX-BLYZHGLHSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000351812426 136254458 /nfs/dbraw/zinc/25/44/58/136254458.db2.gz FDUYPNHJAQSGBS-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO CS[C@@H](C[NH2+]CCC#N)C(C)(C)C ZINC000576817986 365692561 /nfs/dbraw/zinc/69/25/61/365692561.db2.gz ZOVSMPPRDJTGBB-VIFPVBQESA-N 1 0 200.351 2.267 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000602691056 349688356 /nfs/dbraw/zinc/68/83/56/349688356.db2.gz BHGPMZLLGLRLQD-FBXCVGSESA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000602690931 349688385 /nfs/dbraw/zinc/68/83/85/349688385.db2.gz SEJZUDOEDVJHGN-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602699215 349695421 /nfs/dbraw/zinc/69/54/21/349695421.db2.gz NNAHAAMWUOSMMA-FRRDWIJNSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602691778 349689021 /nfs/dbraw/zinc/68/90/21/349689021.db2.gz SLRPDMHIYODDAW-RWMBFGLXSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CS1 ZINC000602691696 349689056 /nfs/dbraw/zinc/68/90/56/349689056.db2.gz QKRGEIDPIHHHFD-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CC[C@@H](c2ccccc2)C1 ZINC000302474998 344019343 /nfs/dbraw/zinc/01/93/43/344019343.db2.gz XYLPYYCEDDLXAS-ZIAGYGMSSA-N 1 0 245.322 2.204 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000602704987 349699070 /nfs/dbraw/zinc/69/90/70/349699070.db2.gz IYJFTHGEPGELBO-STQMWFEESA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CCC#N)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000602706982 349700271 /nfs/dbraw/zinc/70/02/71/349700271.db2.gz INMZGTYCCLRLMY-MCIONIFRSA-N 1 0 236.359 2.285 20 30 BEEDRO COCC1(C[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602707277 349700726 /nfs/dbraw/zinc/70/07/26/349700726.db2.gz VBFDPIJJHBZNBJ-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000602708086 349701962 /nfs/dbraw/zinc/70/19/62/349701962.db2.gz YYPBHIJJSCJBRI-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602709251 349702659 /nfs/dbraw/zinc/70/26/59/349702659.db2.gz ITGKVEKVKOBYRS-LBPRGKRZSA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccoc1 ZINC000602711494 349703019 /nfs/dbraw/zinc/70/30/19/349703019.db2.gz OHPRAVNWLYMDRB-LLVKDONJSA-N 1 0 206.289 2.352 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCC1(CO)CCC1 ZINC000602711778 349704014 /nfs/dbraw/zinc/70/40/14/349704014.db2.gz LCFUJKRECBKZKE-LBPRGKRZSA-N 1 0 224.348 2.069 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602700254 349695952 /nfs/dbraw/zinc/69/59/52/349695952.db2.gz SKAMZVKFRLWQCY-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO CCC[N@H+](C[C@@H](C)CCC#N)[C@H]1CCN(C)C1 ZINC000602700672 349696126 /nfs/dbraw/zinc/69/61/26/349696126.db2.gz NBMCLNGCAKHDKF-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)O[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000602702272 349696927 /nfs/dbraw/zinc/69/69/27/349696927.db2.gz QFMQYFBAVYJPKR-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000313501825 259336398 /nfs/dbraw/zinc/33/63/98/259336398.db2.gz KDNABSSAPXYTOQ-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO CC[C@H](C)[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)OC ZINC000602716782 349707054 /nfs/dbraw/zinc/70/70/54/349707054.db2.gz DIDWWASJHJDSHG-RWMBFGLXSA-N 1 0 224.348 2.283 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(C)COC2)cc1 ZINC000602741884 349710107 /nfs/dbraw/zinc/71/01/07/349710107.db2.gz XCNAJXDSWLUBMJ-UHFFFAOYSA-N 1 0 244.338 2.366 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602720443 349712383 /nfs/dbraw/zinc/71/23/83/349712383.db2.gz GRYZWBPDSFZIHK-LBPRGKRZSA-N 1 0 227.311 2.351 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCOC1(C)C ZINC000602720820 349713093 /nfs/dbraw/zinc/71/30/93/349713093.db2.gz DYMHJVSHFZUQMW-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]C1CCC(C#N)CC1 ZINC000602722684 349713727 /nfs/dbraw/zinc/71/37/27/349713727.db2.gz BKNHITHIHKUJDF-CPCZMJQVSA-N 1 0 224.348 2.209 20 30 BEEDRO COCC1(C2CC2)C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602732547 349717985 /nfs/dbraw/zinc/71/79/85/349717985.db2.gz RSWFLJFPMLBXBZ-LBPRGKRZSA-N 1 0 236.359 2.285 20 30 BEEDRO CC[C@]1(C)COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602795815 349737861 /nfs/dbraw/zinc/73/78/61/349737861.db2.gz CVYRSMUGOMTHNY-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(CC2(CC#N)CC2)C[C@H]1C ZINC000602801375 349741975 /nfs/dbraw/zinc/74/19/75/349741975.db2.gz SFAITMINQMAQLD-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000602801360 349742107 /nfs/dbraw/zinc/74/21/07/349742107.db2.gz QDYIUTZYPAQKDA-KGLIPLIRSA-N 1 0 248.370 2.429 20 30 BEEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602779352 349745011 /nfs/dbraw/zinc/74/50/11/349745011.db2.gz MFRNRZOWXQAJLG-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H]1OCC[C@H]1CN(CCC#N)Cc1ccco1 ZINC000602780381 349746351 /nfs/dbraw/zinc/74/63/51/349746351.db2.gz HSMBYHLZZHRSJI-STQMWFEESA-N 1 0 248.326 2.420 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H](n3ccnc3)C2)CC1 ZINC000602771260 349726133 /nfs/dbraw/zinc/72/61/33/349726133.db2.gz BBTHUDIFIFDOHF-ZDUSSCGKSA-N 1 0 244.342 2.214 20 30 BEEDRO CC(C)(C)C[N@H+](CCCO)CC1(CC#N)CC1 ZINC000602775104 349728349 /nfs/dbraw/zinc/72/83/49/349728349.db2.gz ICRLFUSUQBAIEW-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO CC(C)(C)[C@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602822560 349763227 /nfs/dbraw/zinc/76/32/27/349763227.db2.gz SDTOYGRPRWQNHT-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO CCOC1CC([N@H+](C)CC2(CC#N)CC2)C1 ZINC000602827645 349765186 /nfs/dbraw/zinc/76/51/86/349765186.db2.gz MKJPQKOXINRPDZ-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000602785283 349749075 /nfs/dbraw/zinc/74/90/75/349749075.db2.gz ATIKGSAJWWXPQB-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000308833708 259341095 /nfs/dbraw/zinc/34/10/95/259341095.db2.gz HGNJDRAUGISNQU-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO CCOC[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602788813 349751367 /nfs/dbraw/zinc/75/13/67/349751367.db2.gz VKBDZJFXLCEPHO-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)(CO)[C@@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000602833978 349757044 /nfs/dbraw/zinc/75/70/44/349757044.db2.gz XLBLJDZWDDQLQA-LBPRGKRZSA-N 1 0 236.359 2.067 20 30 BEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC1(CC#N)CC1 ZINC000602830711 349767599 /nfs/dbraw/zinc/76/75/99/349767599.db2.gz VTLZFTQFNIITBG-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000602837502 349776656 /nfs/dbraw/zinc/77/66/56/349776656.db2.gz ODQOLNSTHIHKTJ-CQSZACIVSA-N 1 0 234.343 2.183 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602840202 349778216 /nfs/dbraw/zinc/77/82/16/349778216.db2.gz MHPMVYWGGYYCSK-NEPJUHHUSA-N 1 0 220.316 2.003 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000602841204 349779177 /nfs/dbraw/zinc/77/91/77/349779177.db2.gz NKJMXRKSOBEDFP-ZIAGYGMSSA-N 1 0 248.370 2.067 20 30 BEEDRO CC[C@@H]1C[N@H+](CC)CCN1CC1(CC#N)CC1 ZINC000602841508 349779361 /nfs/dbraw/zinc/77/93/61/349779361.db2.gz SPQNQPLUNWWQES-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000602844036 349781716 /nfs/dbraw/zinc/78/17/16/349781716.db2.gz YEYWPUAKUUMRCE-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602808009 349770907 /nfs/dbraw/zinc/77/09/07/349770907.db2.gz YCUXOHFMRZIPPP-AVGNSLFASA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](CCCSCC#N)Cc1ccns1 ZINC000602881225 349790804 /nfs/dbraw/zinc/79/08/04/349790804.db2.gz DWYLYFRKICBVEY-UHFFFAOYSA-N 1 0 241.385 2.222 20 30 BEEDRO CC[NH+](CC)CCNc1nc(C)ccc1C#N ZINC000043395391 343062751 /nfs/dbraw/zinc/06/27/51/343062751.db2.gz GGWAHHJJRIIBFH-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1nc(C)ccc1C#N ZINC000043395418 343062766 /nfs/dbraw/zinc/06/27/66/343062766.db2.gz UBYHNOMSMQOIRJ-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353659804 136265631 /nfs/dbraw/zinc/26/56/31/136265631.db2.gz REHNSTCNCWFCAS-CQSZACIVSA-N 1 0 225.295 2.439 20 30 BEEDRO CSC[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000379358530 343097574 /nfs/dbraw/zinc/09/75/74/343097574.db2.gz VPXMKKWLYRDTIR-UWVGGRQHSA-N 1 0 200.351 2.267 20 30 BEEDRO C[NH2+]C[C@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000168342765 136267487 /nfs/dbraw/zinc/26/74/87/136267487.db2.gz XFDQNKFMVPUKSP-VIFPVBQESA-N 1 0 237.734 2.479 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)N[C@@H](C)C(C)C ZINC000066560223 343118437 /nfs/dbraw/zinc/11/84/37/343118437.db2.gz RKCBTMRKJKFUJR-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000263851685 187234019 /nfs/dbraw/zinc/23/40/19/187234019.db2.gz QDMXYZNHIXIAMZ-GFCCVEGCSA-N 1 0 233.311 2.334 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CCC(CO)CC1 ZINC000230453715 343120690 /nfs/dbraw/zinc/12/06/90/343120690.db2.gz PNOZXUVFNKPWKC-PNESKVBLSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(CO)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000266164963 187234759 /nfs/dbraw/zinc/23/47/59/187234759.db2.gz OWAOAEKAXTVPLM-UHFFFAOYSA-N 1 0 246.354 2.447 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000271713587 187237260 /nfs/dbraw/zinc/23/72/60/187237260.db2.gz OSRJNQKLHBGRLN-KGLIPLIRSA-N 1 0 217.312 2.112 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@H](O)C2)C1 ZINC000185842036 136270627 /nfs/dbraw/zinc/27/06/27/136270627.db2.gz LMOYSCOSIQFAAI-FQUUOJAGSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C)[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339082208 136271270 /nfs/dbraw/zinc/27/12/70/136271270.db2.gz DBDDFTQAIAAPSR-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000339005435 136271314 /nfs/dbraw/zinc/27/13/14/136271314.db2.gz QUKIDSIJSPCLKB-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C1CC1 ZINC000125296129 136271487 /nfs/dbraw/zinc/27/14/87/136271487.db2.gz PBVSKSNMYOECPJ-VHSXEESVSA-N 1 0 237.265 2.244 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000278815175 187239564 /nfs/dbraw/zinc/23/95/64/187239564.db2.gz BJTUALVWLVLHAA-RYUDHWBXSA-N 1 0 217.312 2.181 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277622837 187240183 /nfs/dbraw/zinc/24/01/83/187240183.db2.gz KGMVMXUIKZFTJO-UHFFFAOYSA-N 1 0 222.238 2.446 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC([NH3+])(CC)CC ZINC000576952723 365731451 /nfs/dbraw/zinc/73/14/51/365731451.db2.gz JJZGBGVBEVFSBW-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C[C@H](Cc1ccc(O)cc1)[NH2+]C[C@H](C)C#N ZINC000122851671 343161487 /nfs/dbraw/zinc/16/14/87/343161487.db2.gz WYVLAPKAPOOBMN-GHMZBOCLSA-N 1 0 218.300 2.072 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1nc2ccccc2n1C ZINC000602867448 349799133 /nfs/dbraw/zinc/79/91/33/349799133.db2.gz CBBMOZFLKKADBN-LLVKDONJSA-N 1 0 242.326 2.008 20 30 BEEDRO C[C@](O)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185849649 136275343 /nfs/dbraw/zinc/27/53/43/136275343.db2.gz XZUCPRZPRAYPEP-OBJOEFQTSA-N 1 0 248.326 2.159 20 30 BEEDRO C[C@](O)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185849616 136275438 /nfs/dbraw/zinc/27/54/38/136275438.db2.gz XZUCPRZPRAYPEP-SCRDCRAPSA-N 1 0 248.326 2.159 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000336773380 136276460 /nfs/dbraw/zinc/27/64/60/136276460.db2.gz YPEULHWIXGYKTF-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000308940453 136274230 /nfs/dbraw/zinc/27/42/30/136274230.db2.gz LXZLCGLLPZYZBF-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO Cc1nc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)cs1 ZINC000336696939 136274311 /nfs/dbraw/zinc/27/43/11/136274311.db2.gz MDLIWGOYUUCCRP-GHMZBOCLSA-N 1 0 235.356 2.276 20 30 BEEDRO N#Cc1csc(C[NH2+]C2(CO)CCCC2)c1 ZINC000086573706 136280949 /nfs/dbraw/zinc/28/09/49/136280949.db2.gz KMHDTXGOOHQNKO-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccccc1COC ZINC000264096018 136281362 /nfs/dbraw/zinc/28/13/62/136281362.db2.gz MSBVCRASAATRBY-NSHDSACASA-N 1 0 249.358 2.036 20 30 BEEDRO CCNC(=[NH2+])NCc1oc2ccccc2c1C ZINC000266983834 136281978 /nfs/dbraw/zinc/28/19/78/136281978.db2.gz OVZGXAMOPCUQPG-UHFFFAOYSA-N 1 0 231.299 2.165 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271525398 136282429 /nfs/dbraw/zinc/28/24/29/136282429.db2.gz VRBALCQLSNRCDZ-NEPJUHHUSA-N 1 0 248.326 2.102 20 30 BEEDRO C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCC#N ZINC000273012852 136282835 /nfs/dbraw/zinc/28/28/35/136282835.db2.gz CIOIUKXCLZTMHA-LBPRGKRZSA-N 1 0 245.326 2.297 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000273001377 136283067 /nfs/dbraw/zinc/28/30/67/136283067.db2.gz AETQBPPTNOVPQJ-UHFFFAOYSA-N 1 0 240.310 2.266 20 30 BEEDRO Cc1ccc2ncc(C[NH2+]CCCC#N)n2c1 ZINC000273085541 136283359 /nfs/dbraw/zinc/28/33/59/136283359.db2.gz RPDOAIHTLBFIQK-UHFFFAOYSA-N 1 0 228.299 2.036 20 30 BEEDRO COc1cccc(C[NH2+]CCCC#N)c1OC ZINC000273081811 136283364 /nfs/dbraw/zinc/28/33/64/136283364.db2.gz QUIPXAJCVDEQOB-UHFFFAOYSA-N 1 0 234.299 2.097 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000273067898 136283540 /nfs/dbraw/zinc/28/35/40/136283540.db2.gz NTTHMZBKYFZGMN-UHFFFAOYSA-N 1 0 240.310 2.266 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000387607128 346931789 /nfs/dbraw/zinc/93/17/89/346931789.db2.gz XOUCVXKRJFFMEJ-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1ccc(N(C)C)cc1 ZINC000274109078 136284698 /nfs/dbraw/zinc/28/46/98/136284698.db2.gz YUKVGMQCYVZMJZ-LBPRGKRZSA-N 1 0 231.343 2.344 20 30 BEEDRO Cc1ccnc(N2CCc3c[nH+]ccc32)c1C#N ZINC000343473313 343249433 /nfs/dbraw/zinc/24/94/33/343249433.db2.gz HULFDWQRPRLUMH-UHFFFAOYSA-N 1 0 236.278 2.351 20 30 BEEDRO CCOC[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339009769 136279865 /nfs/dbraw/zinc/27/98/65/136279865.db2.gz IVKREVZJIQXPPX-YNEHKIRRSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000339012070 136279938 /nfs/dbraw/zinc/27/99/38/136279938.db2.gz HVFDIAWPCVANJX-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO Cc1ccnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1C#N ZINC000343506419 343251417 /nfs/dbraw/zinc/25/14/17/343251417.db2.gz HCXHURGOQWLMCM-DGCLKSJQSA-N 1 0 244.342 2.156 20 30 BEEDRO C=CCCCCCn1cc(C[NH2+]C2CC2)nn1 ZINC000641043575 362154436 /nfs/dbraw/zinc/15/44/36/362154436.db2.gz FHCBPPDBWHZXCZ-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=Cc1ccc(CCNC(=[NH2+])NCC(=C)C)cc1 ZINC000291048381 136288003 /nfs/dbraw/zinc/28/80/03/136288003.db2.gz ZCLLKZFQKRIZOJ-UHFFFAOYSA-N 1 0 243.354 2.353 20 30 BEEDRO Cn1cc(C[NH2+]CCCCC#N)c(C(F)F)n1 ZINC000291314405 136288428 /nfs/dbraw/zinc/28/84/28/136288428.db2.gz YDHJTZVFYYOEAS-UHFFFAOYSA-N 1 0 242.273 2.141 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccc(C2CC2)cc1F ZINC000291927556 136288986 /nfs/dbraw/zinc/28/89/86/136288986.db2.gz OAFYBSPCKSZRSN-UHFFFAOYSA-N 1 0 235.306 2.079 20 30 BEEDRO N#CCCOCCN1CCc2cccc(F)c2C1 ZINC000293704633 136289717 /nfs/dbraw/zinc/28/97/17/136289717.db2.gz DBYOSWIQMIQYOD-UHFFFAOYSA-N 1 0 248.301 2.114 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296429278 136290746 /nfs/dbraw/zinc/29/07/46/136290746.db2.gz LWPSQKGDFMZMBO-NSHDSACASA-N 1 0 216.284 2.273 20 30 BEEDRO CC(C)[C@](C)(C[NH3+])NCc1ccc(C#N)cc1 ZINC000343748690 343289810 /nfs/dbraw/zinc/28/98/10/343289810.db2.gz VYHRWPSZTFSXGC-AWEZNQCLSA-N 1 0 231.343 2.021 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C(N)=O)c1ccccc1 ZINC000120136869 136292371 /nfs/dbraw/zinc/29/23/71/136292371.db2.gz SRYOIIVQDZOVQG-ZDUSSCGKSA-N 1 0 232.327 2.111 20 30 BEEDRO CN(C)C(=[NH2+])NCCC1=CCCCCC1 ZINC000274361693 136285134 /nfs/dbraw/zinc/28/51/34/136285134.db2.gz WONRMSQEJVBXTO-UHFFFAOYSA-N 1 0 209.337 2.143 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000274584961 136285226 /nfs/dbraw/zinc/28/52/26/136285226.db2.gz DHQIBWUMXPWFKD-BNOWGMLFSA-N 1 0 230.311 2.002 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1COc2ccccc21 ZINC000348773907 136298217 /nfs/dbraw/zinc/29/82/17/136298217.db2.gz JRZKSXSBXAIMPQ-DGCLKSJQSA-N 1 0 242.322 2.444 20 30 BEEDRO C=CCOc1cccc(C[N@H+](CC)C[C@H](C)O)c1 ZINC000348715724 136294514 /nfs/dbraw/zinc/29/45/14/136294514.db2.gz QIJBQXHCIKJYDB-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO CC(=O)c1ccc(C#N)c(N[C@H](C)C[NH+](C)C)c1 ZINC000343808911 343305931 /nfs/dbraw/zinc/30/59/31/343305931.db2.gz QTFKMLNULOJWJK-SNVBAGLBSA-N 1 0 245.326 2.123 20 30 BEEDRO CC[N@H+]1[C@H](C)CN([C@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC000602872937 349805057 /nfs/dbraw/zinc/80/50/57/349805057.db2.gz DRHVNKXUIJJJMU-RQJABVFESA-N 1 0 235.375 2.093 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000348837605 136301845 /nfs/dbraw/zinc/30/18/45/136301845.db2.gz IOTGXZRIHZIFHB-VIFPVBQESA-N 1 0 224.329 2.086 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631110181 343345520 /nfs/dbraw/zinc/34/55/20/343345520.db2.gz FUDGOZKVBWIMTN-SNVBAGLBSA-N 1 0 242.269 2.046 20 30 BEEDRO CCN1[C@H](C)C[N@@H+](CCCCC#N)C[C@@H]1C ZINC000602875148 349805274 /nfs/dbraw/zinc/80/52/74/349805274.db2.gz WMLOWDOKYVUSCP-BETUJISGSA-N 1 0 223.364 2.095 20 30 BEEDRO Cc1cc(C#N)ccc1CN1C[C@@H](C)OC[C@@H]1C ZINC000165442015 343349553 /nfs/dbraw/zinc/34/95/53/343349553.db2.gz URLZQAXZWZRRGH-QWHCGFSZSA-N 1 0 244.338 2.476 20 30 BEEDRO C[C@H]1CN(CC2(C#N)CC2)CCC1(F)F ZINC000335673495 136317570 /nfs/dbraw/zinc/31/75/70/136317570.db2.gz LMEITMFFMNJZPJ-VIFPVBQESA-N 1 0 214.259 2.267 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000335675484 136318086 /nfs/dbraw/zinc/31/80/86/136318086.db2.gz OMFPTZWTMCFDJG-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO C[N@@H+]1CCN(CC2(CC#N)CC2)C[C@H]1C(C)(C)C ZINC000602874483 349805698 /nfs/dbraw/zinc/80/56/98/349805698.db2.gz RPIMQJGVVQTCQP-ZDUSSCGKSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(C)CC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381597 343395737 /nfs/dbraw/zinc/39/57/37/343395737.db2.gz XLASWPHBVZHFSF-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccccc1 ZINC000299224831 343398634 /nfs/dbraw/zinc/39/86/34/343398634.db2.gz NBDIKPSDJWQAKW-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@H]1O ZINC000349365472 136343025 /nfs/dbraw/zinc/34/30/25/136343025.db2.gz IBHROFSTENZJEW-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1O ZINC000349365471 136343281 /nfs/dbraw/zinc/34/32/81/136343281.db2.gz IBHROFSTENZJEW-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCN1CCCOCC1 ZINC000349386336 136344286 /nfs/dbraw/zinc/34/42/86/136344286.db2.gz RSTXRCDNQKIEJU-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000394502380 259360519 /nfs/dbraw/zinc/36/05/19/259360519.db2.gz GJJYWERXSQEACH-ZDUSSCGKSA-N 1 0 224.348 2.285 20 30 BEEDRO N#CC1(CN2CC=C(C(F)(F)F)CC2)CC1 ZINC000335737968 136351117 /nfs/dbraw/zinc/35/11/17/136351117.db2.gz QECSCZQHUXDMSJ-UHFFFAOYSA-N 1 0 230.233 2.485 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCOC(C)(C)C1 ZINC000349459068 136352041 /nfs/dbraw/zinc/35/20/41/136352041.db2.gz VSWONRZFYPJNDW-CYBMUJFWSA-N 1 0 240.391 2.042 20 30 BEEDRO N#Cc1c(F)cccc1CN1CCC[C@H](O)CC1 ZINC000335714055 136338713 /nfs/dbraw/zinc/33/87/13/136338713.db2.gz MDKMBBVLYJWZCH-LBPRGKRZSA-N 1 0 248.301 2.044 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000349339186 136342450 /nfs/dbraw/zinc/34/24/50/136342450.db2.gz BXZDLCZOMFYITL-SYQHCUMBSA-N 1 0 236.359 2.472 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000349346746 136342716 /nfs/dbraw/zinc/34/27/16/136342716.db2.gz YTBAPSGPZBIFML-ITGHMWBKSA-N 1 0 246.354 2.226 20 30 BEEDRO N#Cc1ccc(NCC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000166852820 136364104 /nfs/dbraw/zinc/36/41/04/136364104.db2.gz MRDDLIXVYHKXGS-LLVKDONJSA-N 1 0 233.290 2.251 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000580544635 365751116 /nfs/dbraw/zinc/75/11/16/365751116.db2.gz UTDFYLRPOXFFIR-CQSZACIVSA-N 1 0 233.355 2.392 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1F)C1CCOCC1 ZINC000223554227 343510207 /nfs/dbraw/zinc/51/02/07/343510207.db2.gz HUKIEENQKRKMSI-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)Cc1cccs1 ZINC000070851461 343514513 /nfs/dbraw/zinc/51/45/13/343514513.db2.gz VYXZJRCWRXVLCO-VHSXEESVSA-N 1 0 208.330 2.428 20 30 BEEDRO CC(C)CCO[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000083247759 343520245 /nfs/dbraw/zinc/52/02/45/343520245.db2.gz XFEMJYKGOKYDMJ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)CC[C@@H](C)O ZINC000165507892 343531545 /nfs/dbraw/zinc/53/15/45/343531545.db2.gz RMFRLUYXIUNFES-GFCCVEGCSA-N 1 0 232.327 2.069 20 30 BEEDRO C=CC[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000046086846 343539474 /nfs/dbraw/zinc/53/94/74/343539474.db2.gz KCQLSWYITPVFLR-UHFFFAOYSA-N 1 0 241.338 2.256 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2ncccc2C#N)C1 ZINC000044364640 187267911 /nfs/dbraw/zinc/26/79/11/187267911.db2.gz JYEJIOQLGRGPJQ-GFCCVEGCSA-N 1 0 244.342 2.095 20 30 BEEDRO C=CCCC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000379996602 365788295 /nfs/dbraw/zinc/78/82/95/365788295.db2.gz JWDLPPRFADUSDI-UHFFFAOYSA-N 1 0 207.321 2.211 20 30 BEEDRO C[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981781 349832710 /nfs/dbraw/zinc/83/27/10/349832710.db2.gz JMZMKAUDCPIHGN-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000380001914 365793563 /nfs/dbraw/zinc/79/35/63/365793563.db2.gz NISASXCTMAUYCO-NWDGAFQWSA-N 1 0 209.333 2.336 20 30 BEEDRO CCOC1CC(C[N@H+](C)[C@H]2CCC[C@H]2C#N)C1 ZINC000602981872 349832866 /nfs/dbraw/zinc/83/28/66/349832866.db2.gz KORVLVFRXFIQMC-YIOUJQMASA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC[NH2+]CCN(C)Cc1cccc(C)c1 ZINC000053447750 1172032913 /nfs/dbraw/zinc/03/29/13/1172032913.db2.gz YQMAATFWBKQFFW-UHFFFAOYSA-N 1 0 218.344 2.202 20 30 BEEDRO CC[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C#N)OC ZINC000602982324 349833796 /nfs/dbraw/zinc/83/37/96/349833796.db2.gz QQOKSZMYCCDBBK-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1CC(=O)OC ZINC000071278113 343650160 /nfs/dbraw/zinc/65/01/60/343650160.db2.gz VEEYWFIJUCNUJH-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO CC[C@H](C[N@H+](C)[C@H]1CCC[C@H]1C#N)OC ZINC000602982325 349834432 /nfs/dbraw/zinc/83/44/32/349834432.db2.gz QQOKSZMYCCDBBK-TUAOUCFPSA-N 1 0 210.321 2.035 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOCC1(C)C ZINC000087595264 343654477 /nfs/dbraw/zinc/65/44/77/343654477.db2.gz QBWMUNONNOOYJY-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000379982453 343663273 /nfs/dbraw/zinc/66/32/73/343663273.db2.gz IFUCCNUUYKXCMU-GHMZBOCLSA-N 1 0 204.273 2.370 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340305987 343708710 /nfs/dbraw/zinc/70/87/10/343708710.db2.gz NGCMEKMXNDURNK-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO COCC(C)(C)[N@H+](C)CCC(C)(C)C#N ZINC000309011897 346952980 /nfs/dbraw/zinc/95/29/80/346952980.db2.gz XLDRQVFGZZZFLC-UHFFFAOYSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CCOCCC#N)C1 ZINC000339121515 343695301 /nfs/dbraw/zinc/69/53/01/343695301.db2.gz YTRPTRBLFXUKAP-UPJWGTAASA-N 1 0 224.348 2.283 20 30 BEEDRO CC[C@]1(O)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000602983950 349836091 /nfs/dbraw/zinc/83/60/91/349836091.db2.gz XZNXVHGMNZKHPQ-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339722975 343702717 /nfs/dbraw/zinc/70/27/17/343702717.db2.gz ADMPYEOFZPSAEV-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)Cc1ccccc1C ZINC000048059070 343706911 /nfs/dbraw/zinc/70/69/11/343706911.db2.gz HJNASWFIVODGSM-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO C[N@H+](CCCCC#N)[C@H]1CCC[C@@H]1C#N ZINC000602975848 349840255 /nfs/dbraw/zinc/84/02/55/349840255.db2.gz IBDXTNUCPDMURP-NEPJUHHUSA-N 1 0 205.305 2.304 20 30 BEEDRO C#CC[N@@H+](CCOCC)C1CCCCC1 ZINC000062364613 343739606 /nfs/dbraw/zinc/73/96/06/343739606.db2.gz HBCMEUFGCIPFFP-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO Cc1ccnc(NCC2CC[NH+](C)CC2)c1C#N ZINC000135072191 343711937 /nfs/dbraw/zinc/71/19/37/343711937.db2.gz AKJRRQHZCZGHJT-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO COC(C)(C)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602979215 349844267 /nfs/dbraw/zinc/84/42/67/349844267.db2.gz BEIGCLKGBOJDTD-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCCC[NH2+]Cc1cnn(CCC)c1 ZINC000336710211 346960917 /nfs/dbraw/zinc/96/09/17/346960917.db2.gz TUNXCLYZIAJMBD-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000570407730 323058759 /nfs/dbraw/zinc/05/87/59/323058759.db2.gz JZWDTBNWRRLFNZ-WDEREUQCSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000577059568 365797776 /nfs/dbraw/zinc/79/77/76/365797776.db2.gz XUJNBPYJFHYUIW-OAHLLOKOSA-N 1 0 246.354 2.464 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000584128954 343763958 /nfs/dbraw/zinc/76/39/58/343763958.db2.gz KWDIQJDGUPXAGG-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000393252745 343779656 /nfs/dbraw/zinc/77/96/56/343779656.db2.gz DWQKRBRUEOCESH-TUAOUCFPSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCOCC(F)(F)F)C1 ZINC000625699564 344038639 /nfs/dbraw/zinc/03/86/39/344038639.db2.gz APJIVAPGHYCNMF-JTQLQIEISA-N 1 0 237.265 2.463 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000625700015 344039787 /nfs/dbraw/zinc/03/97/87/344039787.db2.gz GTZFITCJGPAQAG-UONOGXRCSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000625700935 344040401 /nfs/dbraw/zinc/04/04/01/344040401.db2.gz FVVFDVCXQPUWQE-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2conc2C)C1 ZINC000625700576 344040565 /nfs/dbraw/zinc/04/05/65/344040565.db2.gz CEAPPDLHSPYLGT-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000625700936 344040621 /nfs/dbraw/zinc/04/06/21/344040621.db2.gz FVVFDVCXQPUWQE-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cccnc2OC)C1 ZINC000625701033 344041188 /nfs/dbraw/zinc/04/11/88/344041188.db2.gz GLOVEWQFQMDOOK-LBPRGKRZSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)c1ccccc1F ZINC000066244402 343857647 /nfs/dbraw/zinc/85/76/47/343857647.db2.gz KYPGNWDUVFQGED-UHFFFAOYSA-N 1 0 249.333 2.194 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@H]([C@H](C)O)C2)ccc1C#N ZINC000334569422 343892301 /nfs/dbraw/zinc/89/23/01/343892301.db2.gz PCXDHERYGJCJGS-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCCOC2)ccc1C#N ZINC000334582460 343893535 /nfs/dbraw/zinc/89/35/35/343893535.db2.gz CBPDILMUDISCOL-AWEZNQCLSA-N 1 0 230.311 2.135 20 30 BEEDRO CSC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000305928300 343899443 /nfs/dbraw/zinc/89/94/43/343899443.db2.gz DKNZABDBSKTIJD-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC000334739371 343903637 /nfs/dbraw/zinc/90/36/37/343903637.db2.gz SSSYZCXUIKQTBC-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C ZINC000334740380 343904200 /nfs/dbraw/zinc/90/42/00/343904200.db2.gz VWULGFSZONVJFH-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H]2CCCOC2)CC1 ZINC000334872444 343910516 /nfs/dbraw/zinc/91/05/16/343910516.db2.gz FYJXXASGSCUEFM-BPCQOVAHSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC000625535827 343924029 /nfs/dbraw/zinc/92/40/29/343924029.db2.gz WFIBBXNPIBLMQN-LBPRGKRZSA-N 1 0 247.342 2.273 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000625701465 344042373 /nfs/dbraw/zinc/04/23/73/344042373.db2.gz JXMNSYHLHSJBOL-VXGBXAGGSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCC[C@H](C)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641232367 362287068 /nfs/dbraw/zinc/28/70/68/362287068.db2.gz FKCXGQNFMNZKCU-STQMWFEESA-N 1 0 248.374 2.347 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(C[NH2+]C2CC2)nn1 ZINC000641234779 362288725 /nfs/dbraw/zinc/28/87/25/362288725.db2.gz VEXBCOJNYXERAS-LLVKDONJSA-N 1 0 234.347 2.447 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC000625702873 344047136 /nfs/dbraw/zinc/04/71/36/344047136.db2.gz HYNXKTNDWYRAFC-LBPRGKRZSA-N 1 0 235.331 2.209 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCC2(O)CCC2)C1 ZINC000625702954 344047666 /nfs/dbraw/zinc/04/76/66/344047666.db2.gz PAQPJDXMTQOTBG-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC000625702705 344047676 /nfs/dbraw/zinc/04/76/76/344047676.db2.gz OLOQXVAZRTUOPA-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC000625703837 344048330 /nfs/dbraw/zinc/04/83/30/344048330.db2.gz TWROMASSKVFMPD-LBPRGKRZSA-N 1 0 247.342 2.192 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(CCC)no2)C1 ZINC000625702064 344052766 /nfs/dbraw/zinc/05/27/66/344052766.db2.gz RXYJPVHIJIVYJR-LLVKDONJSA-N 1 0 235.331 2.420 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775143 344071143 /nfs/dbraw/zinc/07/11/43/344071143.db2.gz XKTUXUSPLYDVMP-UPJWGTAASA-N 1 0 241.400 2.283 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])c1cn(CC2(C#N)CCC2)nn1 ZINC000603258049 349901543 /nfs/dbraw/zinc/90/15/43/349901543.db2.gz YCIBCKDIQCAPRT-LLVKDONJSA-N 1 0 247.346 2.018 20 30 BEEDRO CC(C)[C@@H]([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603260758 349902061 /nfs/dbraw/zinc/90/20/61/349902061.db2.gz PXMKIWQTEKXEHE-GFCCVEGCSA-N 1 0 249.362 2.264 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH+](C(C)C)C(C)C ZINC000180444878 347028647 /nfs/dbraw/zinc/02/86/47/347028647.db2.gz MSEZXFXWOYHXQM-UHFFFAOYSA-N 1 0 238.375 2.306 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnccc1C ZINC000235813258 344135059 /nfs/dbraw/zinc/13/50/59/344135059.db2.gz JMCNSCLRNKPFDT-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccsc1 ZINC000152933796 166202755 /nfs/dbraw/zinc/20/27/55/166202755.db2.gz IUFXEMUJKDWJGO-UHFFFAOYSA-N 1 0 211.355 2.204 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000234648936 344159235 /nfs/dbraw/zinc/15/92/35/344159235.db2.gz NQWULUGVTIXIDP-UHFFFAOYSA-N 1 0 237.274 2.278 20 30 BEEDRO C[NH+]=C(NCc1ncccc1C)N[C@H](C)C(C)C ZINC000085712033 344208715 /nfs/dbraw/zinc/20/87/15/344208715.db2.gz LKUIZXGXKSLSPF-GFCCVEGCSA-N 1 0 248.374 2.100 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1nccs1 ZINC000129994926 344217292 /nfs/dbraw/zinc/21/72/92/344217292.db2.gz ALHLIBPKMPATLO-VIFPVBQESA-N 1 0 226.370 2.160 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccncc1 ZINC000129991883 344217369 /nfs/dbraw/zinc/21/73/69/344217369.db2.gz JQHSVNOYRALIDI-NSHDSACASA-N 1 0 220.341 2.099 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccco1 ZINC000130011403 344217923 /nfs/dbraw/zinc/21/79/23/344217923.db2.gz YOOLZRHOXLBLSW-JTQLQIEISA-N 1 0 209.314 2.297 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(CC)o1 ZINC000150817138 166202870 /nfs/dbraw/zinc/20/28/70/166202870.db2.gz FNQBBAHUVKCXCY-UHFFFAOYSA-N 1 0 223.341 2.298 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130476335 344222090 /nfs/dbraw/zinc/22/20/90/344222090.db2.gz OEXJGKFLVQWDJJ-VIFPVBQESA-N 1 0 206.245 2.259 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(F)c1 ZINC000152926461 166203104 /nfs/dbraw/zinc/20/31/04/166203104.db2.gz ZIJCSOUPKKWWQQ-UHFFFAOYSA-N 1 0 223.316 2.282 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1cccc(OC)c1O ZINC000131672594 344234341 /nfs/dbraw/zinc/23/43/41/344234341.db2.gz RLVDIKONFJEQSW-UHFFFAOYSA-N 1 0 227.691 2.243 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000126851511 344184719 /nfs/dbraw/zinc/18/47/19/344184719.db2.gz WGXGNVMRUGHCRY-AVGNSLFASA-N 1 0 210.365 2.413 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000289320971 344251943 /nfs/dbraw/zinc/25/19/43/344251943.db2.gz FSVMWYNGBIHOOD-KOLCDFICSA-N 1 0 236.340 2.106 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000289320968 344252018 /nfs/dbraw/zinc/25/20/18/344252018.db2.gz FSVMWYNGBIHOOD-GXSJLCMTSA-N 1 0 236.340 2.106 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2ccncc2F)CC1 ZINC000641357930 362376220 /nfs/dbraw/zinc/37/62/20/362376220.db2.gz BZKGTUFCOPZLGR-UHFFFAOYSA-N 1 0 249.333 2.095 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCC(C)(C)C#N ZINC000235596127 344241098 /nfs/dbraw/zinc/24/10/98/344241098.db2.gz SLAFGIGGSSTCJE-ZYHUDNBSSA-N 1 0 210.321 2.083 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC23CCC(CC2)C3)CC1 ZINC000600731587 344364742 /nfs/dbraw/zinc/36/47/42/344364742.db2.gz MVAJQBIBTPHENX-OWYJLGKBSA-N 1 0 248.370 2.211 20 30 BEEDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600733586 344364775 /nfs/dbraw/zinc/36/47/75/344364775.db2.gz ALARUFDAZYADEX-AGIUHOORSA-N 1 0 236.359 2.067 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000336763281 537844081 /nfs/dbraw/zinc/84/40/81/537844081.db2.gz OWXVIOPAAHGHFY-YNEHKIRRSA-N 1 0 211.349 2.195 20 30 BEEDRO CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)OCC ZINC000600604277 344338830 /nfs/dbraw/zinc/33/88/30/344338830.db2.gz FHNQUMSDTCZVCG-QWHCGFSZSA-N 1 0 237.347 2.225 20 30 BEEDRO CCC[C@@H](C[NH2+]C[C@H](C#N)CCC#N)OCC ZINC000600604278 344338869 /nfs/dbraw/zinc/33/88/69/344338869.db2.gz FHNQUMSDTCZVCG-STQMWFEESA-N 1 0 237.347 2.225 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600605175 344339128 /nfs/dbraw/zinc/33/91/28/344339128.db2.gz NJAGAQIZXYDKSF-SYQHCUMBSA-N 1 0 231.343 2.456 20 30 BEEDRO CC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCCC1 ZINC000600719551 344362472 /nfs/dbraw/zinc/36/24/72/344362472.db2.gz CBQGZQYMCNTCRW-GFCCVEGCSA-N 1 0 236.359 2.211 20 30 BEEDRO CCC(CC)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723544 344363196 /nfs/dbraw/zinc/36/31/96/344363196.db2.gz WBQQUUDXRUVNES-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600725670 344363456 /nfs/dbraw/zinc/36/34/56/344363456.db2.gz FTAHTRAGELHFCC-NEPJUHHUSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600725676 344363499 /nfs/dbraw/zinc/36/34/99/344363499.db2.gz FTAHTRAGELHFCC-VXGBXAGGSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600726968 344363562 /nfs/dbraw/zinc/36/35/62/344363562.db2.gz WFAAVAZUGCQYKC-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@@H](C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600750929 344368354 /nfs/dbraw/zinc/36/83/54/344368354.db2.gz XSNVOQXDTDDENP-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600750953 344368471 /nfs/dbraw/zinc/36/84/71/344368471.db2.gz YPAFHAACUNMERO-ZDUSSCGKSA-N 1 0 236.359 2.377 20 30 BEEDRO CCC(C#N)(CC)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000600771254 344371846 /nfs/dbraw/zinc/37/18/46/344371846.db2.gz IZKJPQXNOVDAFL-SECBINFHSA-N 1 0 234.303 2.075 20 30 BEEDRO CC(C)(C#N)CCC[N@H+](CCCO)C1CC1 ZINC000380457821 344382340 /nfs/dbraw/zinc/38/23/40/344382340.db2.gz QBDAEDMFRKPMRB-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000381463818 344509464 /nfs/dbraw/zinc/50/94/64/344509464.db2.gz LYYWNSMLVBRBAJ-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@H]1O ZINC000400297377 344464496 /nfs/dbraw/zinc/46/44/96/344464496.db2.gz RMESHMDRYLUJEE-DZGCQCFKSA-N 1 0 244.338 2.069 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119709304 344467709 /nfs/dbraw/zinc/46/77/09/344467709.db2.gz XPGPCXWPBTZCCS-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CCn1ccc(C[N@H+](C)CCCC#N)c1 ZINC000616785366 344472845 /nfs/dbraw/zinc/47/28/45/344472845.db2.gz PDWAUGWIDQRAML-UHFFFAOYSA-N 1 0 205.305 2.244 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CCOC1 ZINC000135493448 344474237 /nfs/dbraw/zinc/47/42/37/344474237.db2.gz XGVFPCHCVAKLBX-KOLCDFICSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381159092 344481309 /nfs/dbraw/zinc/48/13/09/344481309.db2.gz QXXANDAZLSMQSZ-MROQNXINSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+][C@H](CC)CC#N)OC ZINC000381260536 344490880 /nfs/dbraw/zinc/49/08/80/344490880.db2.gz DTKSJFTWVGNFSB-IJLUTSLNSA-N 1 0 212.337 2.329 20 30 BEEDRO N#CC1CCC([NH2+]CC2CCOCC2)CC1 ZINC000258670500 344491350 /nfs/dbraw/zinc/49/13/50/344491350.db2.gz CGJHJHUWOVGODF-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 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N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000577487540 344531333 /nfs/dbraw/zinc/53/13/33/344531333.db2.gz QARUWGIJTHFUSA-DRZSPHRISA-N 1 0 217.316 2.066 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2CCC(=O)N2)CCCCC1 ZINC000625934607 344574643 /nfs/dbraw/zinc/57/46/43/344574643.db2.gz UBBVFRQZJVLUHI-LBPRGKRZSA-N 1 0 236.359 2.134 20 30 BEEDRO CO[C@H]1CCCN(Cc2cc(F)ccc2C#N)C1 ZINC000177298291 344564057 /nfs/dbraw/zinc/56/40/57/344564057.db2.gz PEDYPHWMKJANMG-AWEZNQCLSA-N 1 0 248.301 2.308 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000309412133 347056628 /nfs/dbraw/zinc/05/66/28/347056628.db2.gz IRVZKMTVMGUCNA-GRYCIOLGSA-N 1 0 222.332 2.226 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348233041 344651103 /nfs/dbraw/zinc/65/11/03/344651103.db2.gz UOBDSZZDBKKMQS-NXEZZACHSA-N 1 0 232.274 2.430 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014348 344672790 /nfs/dbraw/zinc/67/27/90/344672790.db2.gz ADEFXCNENLQYRJ-QWHCGFSZSA-N 1 0 209.333 2.047 20 30 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Cc1cc(C[NH2+]CC(C)(C)CC#N)on1 ZINC000601127910 346151787 /nfs/dbraw/zinc/15/17/87/346151787.db2.gz VHTMUQFRFWEPTK-UHFFFAOYSA-N 1 0 207.277 2.013 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cccc(C)c1 ZINC000289623324 346162231 /nfs/dbraw/zinc/16/22/31/346162231.db2.gz DSKAEGKFWBCZHP-YPMHNXCESA-N 1 0 205.301 2.193 20 30 BEEDRO C#C[C@@H](C)NCc1ncc(C(F)(F)F)s1 ZINC000289637335 346207642 /nfs/dbraw/zinc/20/76/42/346207642.db2.gz XIIXZLPIWAIDLA-ZCFIWIBFSA-N 1 0 234.246 2.273 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626160087 346181501 /nfs/dbraw/zinc/18/15/01/346181501.db2.gz ZSVSFIIZWALIDJ-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000632367209 346230801 /nfs/dbraw/zinc/23/08/01/346230801.db2.gz JAMGMSLESILQNC-LBPRGKRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000289682975 346260457 /nfs/dbraw/zinc/26/04/57/346260457.db2.gz CLQJCFGGLRCJAF-LLVKDONJSA-N 1 0 229.682 2.116 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000603421855 349947254 /nfs/dbraw/zinc/94/72/54/349947254.db2.gz VQWCLJWCFIZBTM-UHFFFAOYSA-N 1 0 244.298 2.052 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)[C@H](C)CC=C ZINC000294869052 346306319 /nfs/dbraw/zinc/30/63/19/346306319.db2.gz COWNPCVWQFDUQF-KGLIPLIRSA-N 1 0 222.376 2.132 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccc(OC)n1 ZINC000172325026 166232983 /nfs/dbraw/zinc/23/29/83/166232983.db2.gz JMMLIPIBNWRUTJ-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446217 201926081 /nfs/dbraw/zinc/92/60/81/201926081.db2.gz OXFFFQYKYFDXOK-UKTARXLSSA-N 1 0 247.386 2.141 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(C#N)cn1 ZINC000563349803 323120080 /nfs/dbraw/zinc/12/00/80/323120080.db2.gz IPZMSURPEROZBJ-PHIMTYICSA-N 1 0 215.300 2.326 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000294904133 346318764 /nfs/dbraw/zinc/31/87/64/346318764.db2.gz FRSOYPFPPWKMDZ-ZDUSSCGKSA-N 1 0 248.345 2.431 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]CC1CCCCCC1 ZINC000641768583 362707553 /nfs/dbraw/zinc/70/75/53/362707553.db2.gz CSYXMPLRPGOYIR-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000281438859 346358536 /nfs/dbraw/zinc/35/85/36/346358536.db2.gz CQQOHEMHIDMWDE-CMPLNLGQSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccnn1C ZINC000281573534 346362517 /nfs/dbraw/zinc/36/25/17/346362517.db2.gz KPWURAABQDTVOC-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636230456 346362708 /nfs/dbraw/zinc/36/27/08/346362708.db2.gz BGJUMCNTFKCSOQ-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000641767752 362702762 /nfs/dbraw/zinc/70/27/62/362702762.db2.gz QHLJJIBEEWJWKZ-FOSCPCJNSA-N 1 0 247.313 2.203 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000636238269 346365276 /nfs/dbraw/zinc/36/52/76/346365276.db2.gz FCHVQUSOFHLVPZ-GHMZBOCLSA-N 1 0 247.342 2.374 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000641768266 362705816 /nfs/dbraw/zinc/70/58/16/362705816.db2.gz YSBQZJZRGHCODB-AAVRWANBSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000641768464 362706955 /nfs/dbraw/zinc/70/69/55/362706955.db2.gz ZLBFTQLSVRJDNZ-HZSPNIEDSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCCCCC1 ZINC000641768706 362707262 /nfs/dbraw/zinc/70/72/62/362707262.db2.gz GJRZDGAILCIWIT-ZDUSSCGKSA-N 1 0 209.333 2.073 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636249891 346369444 /nfs/dbraw/zinc/36/94/44/346369444.db2.gz PWUAEWNZLZFOIP-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000601147750 346398693 /nfs/dbraw/zinc/39/86/93/346398693.db2.gz XBDWFFUFUBIJPG-SQLBVSGCSA-N 1 0 246.301 2.065 20 30 BEEDRO CC(C)C[C@@H]([NH3+])c1noc(CC(C)(C)C#N)n1 ZINC000574916467 346412925 /nfs/dbraw/zinc/41/29/25/346412925.db2.gz RMICATJLISXUES-SECBINFHSA-N 1 0 236.319 2.208 20 30 BEEDRO CN(Cc1cc(C#N)c(F)cc1F)C1CC1 ZINC000669379503 537979296 /nfs/dbraw/zinc/97/92/96/537979296.db2.gz DYRVDZBCDFXSSB-UHFFFAOYSA-N 1 0 222.238 2.431 20 30 BEEDRO CC[C@](C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)OC ZINC000449472626 201935576 /nfs/dbraw/zinc/93/55/76/201935576.db2.gz GDZKJWZJWOHMMU-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182433869 347094787 /nfs/dbraw/zinc/09/47/87/347094787.db2.gz AWDWKBKTXOXDEX-NWDGAFQWSA-N 1 0 248.326 2.274 20 30 BEEDRO C=CCSCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000336739110 347097093 /nfs/dbraw/zinc/09/70/93/347097093.db2.gz OXFQTWFZKSFBJZ-LLVKDONJSA-N 1 0 239.388 2.380 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000603437105 349968807 /nfs/dbraw/zinc/96/88/07/349968807.db2.gz IBKSCYPAFVREFG-ZYOFXKKJSA-N 1 0 224.348 2.233 20 30 BEEDRO C=CCCC[N@@H+]1[C@@H](C)[C@H](C)CC[C@H]1CN ZINC000641807568 362766052 /nfs/dbraw/zinc/76/60/52/362766052.db2.gz LAAJJZPHBSUARW-AGIUHOORSA-N 1 0 210.365 2.400 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(C#N)cc1 ZINC000186732844 346532445 /nfs/dbraw/zinc/53/24/45/346532445.db2.gz AEFXMSXTTPXLNI-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO COC[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000178029271 346655733 /nfs/dbraw/zinc/65/57/33/346655733.db2.gz JWPJABXTAWAOSD-LBPRGKRZSA-N 1 0 232.327 2.273 20 30 BEEDRO CC(C)C[C@H](C)C[NH2+]C1CCN(CC#N)CC1 ZINC000589168805 346671215 /nfs/dbraw/zinc/67/12/15/346671215.db2.gz FDOUCCIVQOYBBX-ZDUSSCGKSA-N 1 0 237.391 2.246 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)C(C)C ZINC000380070631 365850068 /nfs/dbraw/zinc/85/00/68/365850068.db2.gz DDLUTMLGKHAXEB-XQQFMLRXSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000589343908 346690577 /nfs/dbraw/zinc/69/05/77/346690577.db2.gz FMAJHFPYDYCNDH-HNNXBMFYSA-N 1 0 242.322 2.338 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccnc1 ZINC000181652905 346758815 /nfs/dbraw/zinc/75/88/15/346758815.db2.gz WKJBKSLPUPXVJP-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO CCOC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590155822 346782147 /nfs/dbraw/zinc/78/21/47/346782147.db2.gz BONRUGBANMMELR-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CCO[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000590161266 346784322 /nfs/dbraw/zinc/78/43/22/346784322.db2.gz VXZDDRWBTUYWMA-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C)C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCCO1 ZINC000590161662 346784556 /nfs/dbraw/zinc/78/45/56/346784556.db2.gz BWALVPMWPNQSLK-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C(F)F)C2)C1 ZINC000590169337 346787372 /nfs/dbraw/zinc/78/73/72/346787372.db2.gz QIKJIXMPECRDSL-UTLUCORTSA-N 1 0 214.259 2.266 20 30 BEEDRO C=C[C@H](CO)Nc1cc[nH+]c2ccccc12 ZINC000309603058 347120149 /nfs/dbraw/zinc/12/01/49/347120149.db2.gz XCZSWYLLIDMDHL-SNVBAGLBSA-N 1 0 214.268 2.194 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000601279563 347142095 /nfs/dbraw/zinc/14/20/95/347142095.db2.gz HABRCQURSYSPOH-AVGNSLFASA-N 1 0 246.354 2.227 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000116926704 347142110 /nfs/dbraw/zinc/14/21/10/347142110.db2.gz FVHILOSRDHKAGS-QMMMGPOBSA-N 1 0 227.739 2.436 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2c1cccc2C ZINC000309720989 347148646 /nfs/dbraw/zinc/14/86/46/347148646.db2.gz VZJZUYKKGGXTOF-RISCZKNCSA-N 1 0 217.312 2.119 20 30 BEEDRO C=CCN1CC[C@@H]([NH+]2CCC3(CCC3)CC2)C1=O ZINC000367626577 347153581 /nfs/dbraw/zinc/15/35/81/347153581.db2.gz PFUBRODHPOFORA-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000601289603 347156067 /nfs/dbraw/zinc/15/60/67/347156067.db2.gz PVZLOAOZWKJKDM-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCN(C)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000309784185 347163326 /nfs/dbraw/zinc/16/33/26/347163326.db2.gz NQKKNTBNBZVCTQ-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO CCOCC(C)(C)[NH2+]CC1(CC#N)CC1 ZINC000382071553 347189626 /nfs/dbraw/zinc/18/96/26/347189626.db2.gz GBZVXBPAKQJVCW-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000309893962 347194086 /nfs/dbraw/zinc/19/40/86/347194086.db2.gz DZXUIQKRVWFMLB-RKDXNWHRSA-N 1 0 224.279 2.454 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000309893950 347194269 /nfs/dbraw/zinc/19/42/69/347194269.db2.gz DZXUIQKRVWFMLB-BDAKNGLRSA-N 1 0 224.279 2.454 20 30 BEEDRO CCC[C@H](CC)[NH+]1CCN(CCC#N)CC1 ZINC000601315422 347196934 /nfs/dbraw/zinc/19/69/34/347196934.db2.gz JULQTCHXNPIKGH-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491786761 347196961 /nfs/dbraw/zinc/19/69/61/347196961.db2.gz WMVDYSZEANGEGX-STQMWFEESA-N 1 0 242.322 2.431 20 30 BEEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1 ZINC000092631060 347213175 /nfs/dbraw/zinc/21/31/75/347213175.db2.gz PZRGFFVBAXRZLA-AWEZNQCLSA-N 1 0 229.327 2.089 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185712647 347210946 /nfs/dbraw/zinc/21/09/46/347210946.db2.gz TYOGONYTHRLXJG-NWDGAFQWSA-N 1 0 233.315 2.463 20 30 BEEDRO N#CCCCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000309983825 347211550 /nfs/dbraw/zinc/21/15/50/347211550.db2.gz SJCYXJDZADZNEH-CQSZACIVSA-N 1 0 235.375 2.240 20 30 BEEDRO C=CCNC(=[NH2+])NCCC1=CCCCCC1 ZINC000184812501 347179649 /nfs/dbraw/zinc/17/96/49/347179649.db2.gz JSIXXYFJWJMIIH-UHFFFAOYSA-N 1 0 221.348 2.357 20 30 BEEDRO CCCN1Cc2cccc(NC(=O)CC#N)c2C1 ZINC000184970927 347186909 /nfs/dbraw/zinc/18/69/09/347186909.db2.gz JEJKQBNYMPUSRQ-UHFFFAOYSA-N 1 0 243.310 2.264 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000185757111 347213233 /nfs/dbraw/zinc/21/32/33/347213233.db2.gz AAZGCOIJDHZZIQ-QEJZJMRPSA-N 1 0 244.338 2.392 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000309997649 347213295 /nfs/dbraw/zinc/21/32/95/347213295.db2.gz CMOOUEWZHMUIJX-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000309997646 347213320 /nfs/dbraw/zinc/21/33/20/347213320.db2.gz CMOOUEWZHMUIJX-XQQFMLRXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310030654 347220650 /nfs/dbraw/zinc/22/06/50/347220650.db2.gz QZRFIBHIERXXDP-UMSGYPCISA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000310040980 347223254 /nfs/dbraw/zinc/22/32/54/347223254.db2.gz YBGCQIBMTQHJHG-QWRGUYRKSA-N 1 0 222.336 2.211 20 30 BEEDRO CC[NH+]1CCN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000186289268 347230992 /nfs/dbraw/zinc/23/09/92/347230992.db2.gz GMGLALIGXONDOO-CYBMUJFWSA-N 1 0 243.354 2.257 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000276336498 166255602 /nfs/dbraw/zinc/25/56/02/166255602.db2.gz BVNBNSKIDSHABM-UHFFFAOYSA-N 1 0 223.272 2.074 20 30 BEEDRO CC[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)OC ZINC000419211419 192104505 /nfs/dbraw/zinc/10/45/05/192104505.db2.gz ZPAPRPUNTNPCCS-AWEZNQCLSA-N 1 0 232.327 2.415 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccccc1C(=O)OC ZINC000118846979 347247438 /nfs/dbraw/zinc/24/74/38/347247438.db2.gz OXTJMKHFMGNSQZ-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnc2ccc(C)cn12 ZINC000119653517 347298457 /nfs/dbraw/zinc/29/84/57/347298457.db2.gz UNUFHKUYZWNEPS-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO CO[C@@H]([C@@H](C)[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000388360924 347269428 /nfs/dbraw/zinc/26/94/28/347269428.db2.gz SQELEUJDHKGGGV-ABAIWWIYSA-N 1 0 244.338 2.461 20 30 BEEDRO CCCOc1ccc(CNC(NC)=[NH+]C)c(C)c1 ZINC000189696604 347308879 /nfs/dbraw/zinc/30/88/79/347308879.db2.gz AXYLOJOPDIZYTM-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCC[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000265751148 166257913 /nfs/dbraw/zinc/25/79/13/166257913.db2.gz FLOUMSFONDQNMH-UHFFFAOYSA-N 1 0 207.321 2.045 20 30 BEEDRO CC[C@@](C)(C[NH2+]CC1(CC#N)CC1)OC ZINC000322695963 347408321 /nfs/dbraw/zinc/40/83/21/347408321.db2.gz LXRMFPOZJLRLCX-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000192834721 347385450 /nfs/dbraw/zinc/38/54/50/347385450.db2.gz JMQIQQJZMNDUGP-DOMZBBRYSA-N 1 0 244.338 2.351 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192825175 347385522 /nfs/dbraw/zinc/38/55/22/347385522.db2.gz CAWQIIJEKJDHMZ-WCFLWFBJSA-N 1 0 246.358 2.462 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000192869726 347386094 /nfs/dbraw/zinc/38/60/94/347386094.db2.gz QEUXPXIMVUADJB-QEJZJMRPSA-N 1 0 244.338 2.392 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000116987772 347387490 /nfs/dbraw/zinc/38/74/90/347387490.db2.gz NGRPGYZALOXTBN-CYDGBPFRSA-N 1 0 238.375 2.329 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccsc1 ZINC000382143988 347399692 /nfs/dbraw/zinc/39/96/92/347399692.db2.gz NIZAGUREPPWUNV-SNVBAGLBSA-N 1 0 224.329 2.329 20 30 BEEDRO CC(C)c1cccc(NC(=[NH2+])NCCCCO)c1 ZINC000195303322 347446328 /nfs/dbraw/zinc/44/63/28/347446328.db2.gz OPNMJOCLUOFUSI-UHFFFAOYSA-N 1 0 249.358 2.309 20 30 BEEDRO N#CCCN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000590709418 347498918 /nfs/dbraw/zinc/49/89/18/347498918.db2.gz JDBDMLSRIFVADO-UHFFFAOYSA-N 1 0 247.386 2.098 20 30 BEEDRO Cc1cc(C[NH2+]C2CCC(C)(C#N)CC2)[nH]n1 ZINC000590646401 347484750 /nfs/dbraw/zinc/48/47/50/347484750.db2.gz HORTVCNORFYWOR-UHFFFAOYSA-N 1 0 232.331 2.280 20 30 BEEDRO CCO[C@H]1C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000590652488 347486620 /nfs/dbraw/zinc/48/66/20/347486620.db2.gz NJXABYJYRNJVBE-ZFQMDJOTSA-N 1 0 222.332 2.226 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@H]1CCCC[C@@H]1O ZINC000590602097 347475917 /nfs/dbraw/zinc/47/59/17/347475917.db2.gz FLOVEFMAGDAIRG-KGLIPLIRSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCO[C@H](C2CC2)C1 ZINC000590594897 347478730 /nfs/dbraw/zinc/47/87/30/347478730.db2.gz JXOITSHMZTUCQO-XBFCOCLRSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(CO)[C@@H]([NH2+]CCCC#N)c1cccnc1 ZINC000590600271 347480607 /nfs/dbraw/zinc/48/06/07/347480607.db2.gz INMGWQREXIRJQG-ZDUSSCGKSA-N 1 0 247.342 2.035 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@H](O)C1 ZINC000590780112 347535461 /nfs/dbraw/zinc/53/54/61/347535461.db2.gz ZQWNWHJBQVGPTA-GUTXKFCHSA-N 1 0 242.322 2.049 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)CC(C)(C)CO ZINC000590748062 347502924 /nfs/dbraw/zinc/50/29/24/347502924.db2.gz CLYRJIDWDKTGND-UHFFFAOYSA-N 1 0 246.354 2.317 20 30 BEEDRO N#CCC1(CNc2cc(NC3CC3)ncn2)CC1 ZINC000591158025 347626620 /nfs/dbraw/zinc/62/66/20/347626620.db2.gz WDQAMLGWCRFIOB-UHFFFAOYSA-N 1 0 243.314 2.157 20 30 BEEDRO C=CCC1(c2nc(C[C@H](C)[NH2+]C)no2)CCC1 ZINC000414654598 323150956 /nfs/dbraw/zinc/15/09/56/323150956.db2.gz YPQBAYZHKOGEIR-JTQLQIEISA-N 1 0 235.331 2.218 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590166118 347608980 /nfs/dbraw/zinc/60/89/80/347608980.db2.gz QEAQLEVQPIWNSP-BFHYXJOUSA-N 1 0 235.375 2.141 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCCCN2)CC1 ZINC000591578057 347677384 /nfs/dbraw/zinc/67/73/84/347677384.db2.gz QIIWAGAZMJJHKK-ROKHWSDSSA-N 1 0 235.375 2.191 20 30 BEEDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000591578045 347677747 /nfs/dbraw/zinc/67/77/47/347677747.db2.gz PCMXXNNGAYLLQM-IUODEOHRSA-N 1 0 243.354 2.351 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000591759850 347692495 /nfs/dbraw/zinc/69/24/95/347692495.db2.gz ZQFFFHBEIGPZIN-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000591473474 347667494 /nfs/dbraw/zinc/66/74/94/347667494.db2.gz OXLGKJDWSUYPMM-ZMLRMANQSA-N 1 0 248.301 2.119 20 30 BEEDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000592374388 347770945 /nfs/dbraw/zinc/77/09/45/347770945.db2.gz DMBXBYTZGCCAEF-MNOVXSKESA-N 1 0 236.315 2.038 20 30 BEEDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000592374344 347771188 /nfs/dbraw/zinc/77/11/88/347771188.db2.gz ARVPJOAKHAMNSH-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000592374389 347771634 /nfs/dbraw/zinc/77/16/34/347771634.db2.gz DMBXBYTZGCCAEF-QWRGUYRKSA-N 1 0 236.315 2.038 20 30 BEEDRO N#Cc1csc(-c2nc([C@H]3CCC[NH2+]3)no2)c1 ZINC000592356823 347772943 /nfs/dbraw/zinc/77/29/43/347772943.db2.gz DPUQIKKDTUJYOT-MRVPVSSYSA-N 1 0 246.295 2.094 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CO1 ZINC000592366081 347774755 /nfs/dbraw/zinc/77/47/55/347774755.db2.gz RUENAJMYLVHYDD-FZMZJTMJSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)CO1 ZINC000592367016 347775581 /nfs/dbraw/zinc/77/55/81/347775581.db2.gz LIBVIJAGMXDOFD-DGFSRKRXSA-N 1 0 242.322 2.313 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1ccncc1C#N ZINC000592067228 347726795 /nfs/dbraw/zinc/72/67/95/347726795.db2.gz VALAHASXBOQVMX-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccncc2C#N)C1 ZINC000592055727 347731590 /nfs/dbraw/zinc/73/15/90/347731590.db2.gz FIQGXWDNBLAIGX-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[N@@H+](Cc1ccncc1C#N)CC(C)C ZINC000592059762 347732717 /nfs/dbraw/zinc/73/27/17/347732717.db2.gz ZKPGNWBKXMSATH-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCCO1 ZINC000592098991 347733273 /nfs/dbraw/zinc/73/32/73/347733273.db2.gz ITPRTQRVMDILQU-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592114858 347735975 /nfs/dbraw/zinc/73/59/75/347735975.db2.gz YXZKASGLNPYTLX-ZWNOBZJWSA-N 1 0 215.300 2.231 20 30 BEEDRO CCC[C@]1([NH2+]Cc2ccncc2C#N)CCOC1 ZINC000592123471 347737415 /nfs/dbraw/zinc/73/74/15/347737415.db2.gz VDLGPTQFOKZGSB-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592129740 347739892 /nfs/dbraw/zinc/73/98/92/347739892.db2.gz SOHGYFDZZFWNOS-JHJVBQTASA-N 1 0 239.359 2.472 20 30 BEEDRO Cc1cc(C)cc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592148232 347740875 /nfs/dbraw/zinc/74/08/75/347740875.db2.gz SATWLJVHOZTGNT-HNNXBMFYSA-N 1 0 244.338 2.154 20 30 BEEDRO Cc1ccccc1[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149112 347740903 /nfs/dbraw/zinc/74/09/03/347740903.db2.gz JBFBUTJDDNAOSA-DZGCQCFKSA-N 1 0 244.338 2.407 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1OC ZINC000449519400 201950324 /nfs/dbraw/zinc/95/03/24/201950324.db2.gz MIHKVLRFKYQBFP-OLZOCXBDSA-N 1 0 233.311 2.128 20 30 BEEDRO N#CCCC[NH2+][C@H](CCO)c1ccccc1F ZINC000592162359 347745955 /nfs/dbraw/zinc/74/59/55/347745955.db2.gz YGVVXCLUSVIWKW-CYBMUJFWSA-N 1 0 236.290 2.143 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592169709 347747196 /nfs/dbraw/zinc/74/71/96/347747196.db2.gz QATSSAPZFJHVFQ-MXWKQRLJSA-N 1 0 215.362 2.061 20 30 BEEDRO CC[N@H+](CCSC)[C@@H]1CC[C@@H](C#N)C1 ZINC000592202664 347754907 /nfs/dbraw/zinc/75/49/07/347754907.db2.gz QAPLFVQBQQNPCV-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO CC[N@H+](CCCCC#N)CCSC ZINC000592204237 347755621 /nfs/dbraw/zinc/75/56/21/347755621.db2.gz RXIUQUAMUTWVRN-UHFFFAOYSA-N 1 0 200.351 2.365 20 30 BEEDRO CC(C)[C@@H]([NH2+]CC1(C#N)CC1)C1(CO)CC=CC1 ZINC000592176251 347759037 /nfs/dbraw/zinc/75/90/37/347759037.db2.gz HVKBIBOPQYQCRT-CYBMUJFWSA-N 1 0 248.370 2.233 20 30 BEEDRO CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000592516846 347793110 /nfs/dbraw/zinc/79/31/10/347793110.db2.gz JYHKUCIMPZTKAL-CYBMUJFWSA-N 1 0 234.299 2.151 20 30 BEEDRO CC[C@@H](CO)[N@H+](C)CCCCC(C)(C)C#N ZINC000345847486 365925721 /nfs/dbraw/zinc/92/57/21/365925721.db2.gz YXFDJRUMWWMWNQ-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@@H](C)CCO)ccc1C#N ZINC000593107326 347859773 /nfs/dbraw/zinc/85/97/73/347859773.db2.gz CNJWCGIIUBFPOB-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000593025102 347846562 /nfs/dbraw/zinc/84/65/62/347846562.db2.gz PHRUHGIVZWWHTK-UHFFFAOYSA-N 1 0 245.282 2.474 20 30 BEEDRO C[C@@H](CCO)[N@H+](C)CCCCC(C)(C)C#N ZINC000593107338 347859864 /nfs/dbraw/zinc/85/98/64/347859864.db2.gz CPASIKVAWIJSRW-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C[C@H](CO)C1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000593085022 347852086 /nfs/dbraw/zinc/85/20/86/347852086.db2.gz SWAWRWSSJMNKPN-YRGRVCCFSA-N 1 0 236.359 2.019 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CCCSCC#N ZINC000593050123 347852255 /nfs/dbraw/zinc/85/22/55/347852255.db2.gz BRUHTKZWTOAYSW-NWDGAFQWSA-N 1 0 244.404 2.020 20 30 BEEDRO N#CCSCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118849 347862707 /nfs/dbraw/zinc/86/27/07/347862707.db2.gz YVFCAERRCJOTSC-SNVBAGLBSA-N 1 0 246.326 2.364 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680966 488364429 /nfs/dbraw/zinc/36/44/29/488364429.db2.gz FDYFHVWBPRTDDK-GHMZBOCLSA-N 1 0 249.301 2.017 20 30 BEEDRO C=CCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305162502 323167790 /nfs/dbraw/zinc/16/77/90/323167790.db2.gz RSELCZRNWDYWQX-SNVBAGLBSA-N 1 0 237.265 2.198 20 30 BEEDRO CC[C@H](C#N)C(=O)Nc1ccccc1C[NH+](C)C ZINC000593403577 347884139 /nfs/dbraw/zinc/88/41/39/347884139.db2.gz JNQMRZMMWAMXLY-LLVKDONJSA-N 1 0 245.326 2.236 20 30 BEEDRO CC(C)C[N@H+](C)CCCNc1ncccc1C#N ZINC000593481212 347896367 /nfs/dbraw/zinc/89/63/67/347896367.db2.gz YOTHNXNPIZRXAW-UHFFFAOYSA-N 1 0 246.358 2.343 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000593692174 347928435 /nfs/dbraw/zinc/92/84/35/347928435.db2.gz QQWGSPXZXQBBHO-CHWSQXEVSA-N 1 0 236.359 2.211 20 30 BEEDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000593681366 347932241 /nfs/dbraw/zinc/93/22/41/347932241.db2.gz FTKDHFPXZJUKAT-LBPRGKRZSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc(C#N)o1 ZINC000593682145 347933022 /nfs/dbraw/zinc/93/30/22/347933022.db2.gz OFQSSHMQTNOWSV-JTQLQIEISA-N 1 0 234.299 2.056 20 30 BEEDRO CCOCC[N@H+](CC)Cc1cccc(C#N)c1 ZINC000070160822 323169900 /nfs/dbraw/zinc/16/99/00/323169900.db2.gz PNFCWTCXGMYOFT-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCSCCCO)C1 ZINC000593594839 347915379 /nfs/dbraw/zinc/91/53/79/347915379.db2.gz FBMDQMDGBRQFCU-QWHCGFSZSA-N 1 0 243.416 2.436 20 30 BEEDRO COC[C@@H](CC(C)(C)C)[NH2+]CC1(C#N)CC1 ZINC000593623174 347917185 /nfs/dbraw/zinc/91/71/85/347917185.db2.gz WZHRXCBSZCCYOO-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H](CO)SC)C1 ZINC000593601127 347919218 /nfs/dbraw/zinc/91/92/18/347919218.db2.gz RGRCIJAYUBPGMW-NDBYEHHHSA-N 1 0 243.416 2.433 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)o1)[C@H]1CCCOC1 ZINC000593673340 347925206 /nfs/dbraw/zinc/92/52/06/347925206.db2.gz FYBJSQOHKOZJEK-NSHDSACASA-N 1 0 234.299 2.152 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000491325918 362850875 /nfs/dbraw/zinc/85/08/75/362850875.db2.gz IGEWLIPEJDLGJX-LBPRGKRZSA-N 1 0 229.323 2.118 20 30 BEEDRO C[C@@H](C#N)CN(Cc1ccc(C#N)cn1)C1CC1 ZINC000593968627 347974212 /nfs/dbraw/zinc/97/42/12/347974212.db2.gz WCXVGLQBMLWVRR-NSHDSACASA-N 1 0 240.310 2.077 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000594012939 347989125 /nfs/dbraw/zinc/98/91/25/347989125.db2.gz QJLVHKPOEXDGFD-UTUOFQBUSA-N 1 0 229.327 2.430 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)nc1 ZINC000594014778 347989750 /nfs/dbraw/zinc/98/97/50/347989750.db2.gz KMEYYXCDSKZXEC-GFCCVEGCSA-N 1 0 249.264 2.184 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)[C@H]1CCCCO1 ZINC000594040034 347994834 /nfs/dbraw/zinc/99/48/34/347994834.db2.gz CQKCONFEIFPZJI-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](O)C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000594061035 347996488 /nfs/dbraw/zinc/99/64/88/347996488.db2.gz AEZYMZCRJHLUMA-SNVBAGLBSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CCC[N@@H+](CCC(=O)OCC)C(C)C ZINC000594052482 348009212 /nfs/dbraw/zinc/00/92/12/348009212.db2.gz YZGJDHNNPSCGJR-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000449549150 201961954 /nfs/dbraw/zinc/96/19/54/201961954.db2.gz VEZLZCIKPNTMEY-FQUUOJAGSA-N 1 0 221.344 2.498 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCSC1 ZINC000308643743 347983222 /nfs/dbraw/zinc/98/32/22/347983222.db2.gz GGWSALONMXFWQJ-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]C(C)(C)CO)cc1 ZINC000594501119 348064039 /nfs/dbraw/zinc/06/40/39/348064039.db2.gz ICZPYWILHNRUHA-UHFFFAOYSA-N 1 0 246.354 2.348 20 30 BEEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C#N)cc2)C1 ZINC000594590825 348079237 /nfs/dbraw/zinc/07/92/37/348079237.db2.gz DCRMNQHRFXWHBT-XBXGTLAGSA-N 1 0 229.327 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN3CCCC[C@H]23)C1 ZINC000594520380 348069530 /nfs/dbraw/zinc/06/95/30/348069530.db2.gz NWFABTVCTJTYEB-CBBWQLFWSA-N 1 0 247.386 2.285 20 30 BEEDRO CN(C)c1cc[nH+]c(NC(=O)CCCCC#N)c1 ZINC000594337026 348035324 /nfs/dbraw/zinc/03/53/24/348035324.db2.gz DNNIHGLVZRKQBP-UHFFFAOYSA-N 1 0 246.314 2.170 20 30 BEEDRO CCC[C@@H](C)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426862 348043601 /nfs/dbraw/zinc/04/36/01/348043601.db2.gz GAELMXWMRDRYFH-VXGBXAGGSA-N 1 0 239.363 2.045 20 30 BEEDRO CCC[C@H](C)N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426860 348043870 /nfs/dbraw/zinc/04/38/70/348043870.db2.gz GAELMXWMRDRYFH-NWDGAFQWSA-N 1 0 239.363 2.045 20 30 BEEDRO CCCCN(CC)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426567 348052229 /nfs/dbraw/zinc/05/22/29/348052229.db2.gz PAASGPQZXSDXGD-GFCCVEGCSA-N 1 0 239.363 2.046 20 30 BEEDRO COCC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493824 348062758 /nfs/dbraw/zinc/06/27/58/348062758.db2.gz SJBUNQVSHVVJTJ-UHFFFAOYSA-N 1 0 232.327 2.224 20 30 BEEDRO C=CCCSCC[NH2+]C[C@H](C#N)CCC#N ZINC000594709894 348104045 /nfs/dbraw/zinc/10/40/45/348104045.db2.gz GXFDPDRCRSRIAO-LBPRGKRZSA-N 1 0 237.372 2.329 20 30 BEEDRO COC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000594717156 348106266 /nfs/dbraw/zinc/10/62/66/348106266.db2.gz HUFDDOFGWINIID-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO COCC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000594717471 348106991 /nfs/dbraw/zinc/10/69/91/348106991.db2.gz MGYCZDKOMWSJQW-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CC1(CN[C@H]2CCC[NH2+]CC2)CCCCC1 ZINC000594738887 348110629 /nfs/dbraw/zinc/11/06/29/348110629.db2.gz IQCYTLFKQCJEET-ZDUSSCGKSA-N 1 0 235.375 2.192 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594610382 348082459 /nfs/dbraw/zinc/08/24/59/348082459.db2.gz ZGVYLSOPLYOTQB-QMMMGPOBSA-N 1 0 223.272 2.039 20 30 BEEDRO CC(C)(C)[C@@H]([NH3+])c1cn(CC2(CC#N)CC2)nn1 ZINC000594651801 348089859 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CC[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CO1 ZINC000594953600 348148575 /nfs/dbraw/zinc/14/85/75/348148575.db2.gz IOWKVXOUPAKEOY-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CCO1 ZINC000594956087 348148936 /nfs/dbraw/zinc/14/89/36/348148936.db2.gz TYQNJFKRACYXEJ-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cnn3c2CCC3)C1 ZINC000594959375 348150491 /nfs/dbraw/zinc/15/04/91/348150491.db2.gz QLNPEHGMRZTKJN-AAEUAGOBSA-N 1 0 244.342 2.001 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccccn1 ZINC000594960849 348150880 /nfs/dbraw/zinc/15/08/80/348150880.db2.gz XQUYXTCOJDXFAX-UHFFFAOYSA-N 1 0 222.357 2.481 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CO1 ZINC000594962330 348151422 /nfs/dbraw/zinc/15/14/22/348151422.db2.gz ZTCYNCXRUWQHAP-CHWSQXEVSA-N 1 0 248.301 2.354 20 30 BEEDRO COC[C@@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924035 348156875 /nfs/dbraw/zinc/15/68/75/348156875.db2.gz LDPDFRJPTGSNRJ-GFCCVEGCSA-N 1 0 244.338 2.366 20 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20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](CO)CC1CC1 ZINC000594984328 348164861 /nfs/dbraw/zinc/16/48/61/348164861.db2.gz SKNFPOROYRAONV-ZDUSSCGKSA-N 1 0 238.375 2.315 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCn3nccc32)C1 ZINC000595043678 348178916 /nfs/dbraw/zinc/17/89/16/348178916.db2.gz YGGJTUNGLYHICP-AVGNSLFASA-N 1 0 244.342 2.390 20 30 BEEDRO C[NH+]1CCC(NCC2(C#N)CCCCC2)CC1 ZINC000594995408 348167697 /nfs/dbraw/zinc/16/76/97/348167697.db2.gz POZARLOCZAFRAZ-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000594997230 348168545 /nfs/dbraw/zinc/16/85/45/348168545.db2.gz ZNFDZBPZOGFSPB-KPFVRQRISA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)CN(CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595293025 348215144 /nfs/dbraw/zinc/21/51/44/348215144.db2.gz WIIRKBHRRWXJGW-UHFFFAOYSA-N 1 0 239.275 2.289 20 30 BEEDRO C[C@@H](C#N)CN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595300439 348218016 /nfs/dbraw/zinc/21/80/16/348218016.db2.gz CGZOXFIMYGLKDH-MJBXVCDLSA-N 1 0 237.391 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C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCc1ccccc1C#N ZINC000598680044 349021986 /nfs/dbraw/zinc/02/19/86/349021986.db2.gz RJYIUKSUCGHAOV-LALPHHSUSA-N 1 0 243.354 2.034 20 30 BEEDRO Cc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703146 349022664 /nfs/dbraw/zinc/02/26/64/349022664.db2.gz DJBXXJJOJINSKH-AWEZNQCLSA-N 1 0 246.354 2.385 20 30 BEEDRO CCC(CC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703916 349022694 /nfs/dbraw/zinc/02/26/94/349022694.db2.gz KGERQPKLAHPPRB-NSHDSACASA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCCCC1 ZINC000598704825 349022822 /nfs/dbraw/zinc/02/28/22/349022822.db2.gz USJCQPFBSDIOJU-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(C)CCCC1 ZINC000598721295 349027869 /nfs/dbraw/zinc/02/78/69/349027869.db2.gz ULLDYNNKPSVGFP-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC[C@@H](CC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721109 349027883 /nfs/dbraw/zinc/02/78/83/349027883.db2.gz SJNLZPOAEBZISO-VXGBXAGGSA-N 1 0 226.364 2.455 20 30 BEEDRO CC(C)[C@H](C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721830 349028219 /nfs/dbraw/zinc/02/82/19/349028219.db2.gz WXZPFLIDGAEWBG-NEPJUHHUSA-N 1 0 226.364 2.169 20 30 BEEDRO CC(C)[C@@H](C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721832 349028311 /nfs/dbraw/zinc/02/83/11/349028311.db2.gz WXZPFLIDGAEWBG-NWDGAFQWSA-N 1 0 226.364 2.169 20 30 BEEDRO C[C@@H](CCC1CC1)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598723310 349028613 /nfs/dbraw/zinc/02/86/13/349028613.db2.gz GELFHBJMNGAPST-WCQYABFASA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC000598723855 349028643 /nfs/dbraw/zinc/02/86/43/349028643.db2.gz LEOVPPUMRSKPRG-LBPRGKRZSA-N 1 0 238.375 2.313 20 30 BEEDRO CC(C)=CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722920 349028853 /nfs/dbraw/zinc/02/88/53/349028853.db2.gz BSKUIMLXWXIOTJ-GFCCVEGCSA-N 1 0 224.348 2.233 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725236 349029059 /nfs/dbraw/zinc/02/90/59/349029059.db2.gz WGEMQQBKPJMDIF-RYUDHWBXSA-N 1 0 224.348 2.231 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725758 349029092 /nfs/dbraw/zinc/02/90/92/349029092.db2.gz ZQOMUOVCSKVYMG-LBPRGKRZSA-N 1 0 224.348 2.233 20 30 BEEDRO C=CCCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725756 349029460 /nfs/dbraw/zinc/02/94/60/349029460.db2.gz ZQOMUOVCSKVYMG-GFCCVEGCSA-N 1 0 224.348 2.233 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000598728955 349031117 /nfs/dbraw/zinc/03/11/17/349031117.db2.gz XRSYGVRHMABNLP-QJPTWQEYSA-N 1 0 248.326 2.026 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598729335 349031302 /nfs/dbraw/zinc/03/13/02/349031302.db2.gz ILZSWCKPVHMMLK-CHWSQXEVSA-N 1 0 238.375 2.311 20 30 BEEDRO Cc1cccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000598699742 349033150 /nfs/dbraw/zinc/03/31/50/349033150.db2.gz IOJVJPYLJBEIGV-CQSZACIVSA-N 1 0 246.354 2.385 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000598985797 349071998 /nfs/dbraw/zinc/07/19/98/349071998.db2.gz YTRORRCWWSDCAM-GRYCIOLGSA-N 1 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/nfs/dbraw/zinc/15/83/62/535158362.db2.gz QXLTXUSAGHJLAS-UHFFFAOYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000336780941 191130579 /nfs/dbraw/zinc/13/05/79/191130579.db2.gz SPUWWOHIVURWHS-TZMCWYRMSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000336780939 191130589 /nfs/dbraw/zinc/13/05/89/191130589.db2.gz SPUWWOHIVURWHS-JSGCOSHPSA-N 1 0 222.376 2.415 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292581424 351146906 /nfs/dbraw/zinc/14/69/06/351146906.db2.gz FUUHWVKONVUDJB-UHFFFAOYSA-N 1 0 241.285 2.041 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1sccc1C ZINC000289975902 351143251 /nfs/dbraw/zinc/14/32/51/351143251.db2.gz XPNXZPUWNHWWQL-VHSXEESVSA-N 1 0 211.330 2.254 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1sccc1C ZINC000289975897 351143313 /nfs/dbraw/zinc/14/33/13/351143313.db2.gz XPNXZPUWNHWWQL-NXEZZACHSA-N 1 0 211.330 2.254 20 30 BEEDRO CC(C)CCN(CCC#N)CCc1cnn(C)c1 ZINC000072691928 351367759 /nfs/dbraw/zinc/36/77/59/351367759.db2.gz AJWRYTGGOWREJX-UHFFFAOYSA-N 1 0 248.374 2.224 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(C)n1C ZINC000623593029 363029271 /nfs/dbraw/zinc/02/92/71/363029271.db2.gz PTXIURFULCORFI-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000623592211 363026466 /nfs/dbraw/zinc/02/64/66/363026466.db2.gz AZRYQGYZPSWMHB-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1c(C)nnn1CC ZINC000623592873 363028175 /nfs/dbraw/zinc/02/81/75/363028175.db2.gz GJDADZRBKIZIEP-UHFFFAOYSA-N 1 0 236.363 2.298 20 30 BEEDRO Cc1cc(C2CC[NH+](CCCC#N)CC2)[nH]n1 ZINC000271630768 351425247 /nfs/dbraw/zinc/42/52/47/351425247.db2.gz NWLZVICBFPELSV-UHFFFAOYSA-N 1 0 232.331 2.201 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000272562642 351485782 /nfs/dbraw/zinc/48/57/82/351485782.db2.gz UGFFMMLRZXFEPV-UHFFFAOYSA-N 1 0 232.331 2.152 20 30 BEEDRO CN(C(=[NH2+])NC1CC(c2ccccc2)C1)C1CC1 ZINC000273355997 351522114 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N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3ncc[nH]3)CC2)C1 ZINC000278778041 351783199 /nfs/dbraw/zinc/78/31/99/351783199.db2.gz ZENPKMPNXMFAJB-DGCLKSJQSA-N 1 0 244.342 2.281 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000072924783 351765167 /nfs/dbraw/zinc/76/51/67/351765167.db2.gz UCYHUKUOGMLGKY-CQSZACIVSA-N 1 0 232.327 2.319 20 30 BEEDRO C[N@H+](Cc1ccco1)[C@H]1CC[C@H](C#N)C1 ZINC000278539682 351768481 /nfs/dbraw/zinc/76/84/81/351768481.db2.gz GCNZOEGVAHUMLN-QWRGUYRKSA-N 1 0 204.273 2.404 20 30 BEEDRO C[N@H+](CCc1ccncc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278555026 351769894 /nfs/dbraw/zinc/76/98/94/351769894.db2.gz HUGXVRMVIOTCQQ-ZIAGYGMSSA-N 1 0 229.327 2.248 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCCC2)CCO1 ZINC000405130294 351858328 /nfs/dbraw/zinc/85/83/28/351858328.db2.gz MYKDDSUYGDDTQT-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccn1C ZINC000280768903 351860104 /nfs/dbraw/zinc/86/01/04/351860104.db2.gz ZLDYSVCEJGIVBU-JSGCOSHPSA-N 1 0 234.343 2.096 20 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C=CCOCCC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411838081 191215372 /nfs/dbraw/zinc/21/53/72/191215372.db2.gz BWPIJPRCKHMJES-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C[C@@H]1C ZINC000411811780 191216475 /nfs/dbraw/zinc/21/64/75/191216475.db2.gz YVVRJSWSWVRQEV-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C[C@H]1C ZINC000411811778 191216531 /nfs/dbraw/zinc/21/65/31/191216531.db2.gz YVVRJSWSWVRQEV-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411865663 191224114 /nfs/dbraw/zinc/22/41/14/191224114.db2.gz HRWBHFFIPUKNHI-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@H]1c2ccccc2C[C@H]1[NH2+]CCCC#N ZINC000411886869 191225618 /nfs/dbraw/zinc/22/56/18/191225618.db2.gz BJIZXHJCUYZXMU-KGLIPLIRSA-N 1 0 230.311 2.192 20 30 BEEDRO C=CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307567773 352656399 /nfs/dbraw/zinc/65/63/99/352656399.db2.gz UPWHYXMLTRWUCN-UHFFFAOYSA-N 1 0 242.363 2.455 20 30 BEEDRO CO[C@](C)([C@@H](C)[NH2+]CC1(C#N)CC1)C1CC1 ZINC000411974093 191233468 /nfs/dbraw/zinc/23/34/68/191233468.db2.gz SQYNSRZRIICXPS-ZYHUDNBSSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCCCC[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411993391 191235954 /nfs/dbraw/zinc/23/59/54/191235954.db2.gz ZFKWENZMKLTWDM-ZIAGYGMSSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2)C1 ZINC000303708796 352699576 /nfs/dbraw/zinc/69/95/76/352699576.db2.gz NIKQAOJGROQIFC-LBPRGKRZSA-N 1 0 231.343 2.233 20 30 BEEDRO N#CCCC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412016876 191237043 /nfs/dbraw/zinc/23/70/43/191237043.db2.gz WSEPLXROFAHSQL-UHFFFAOYSA-N 1 0 248.370 2.067 20 30 BEEDRO CO[C@](C)([C@H](C)[NH2+]CCCCC#N)C1CC1 ZINC000411939276 191230116 /nfs/dbraw/zinc/23/01/16/191230116.db2.gz FJTMICHCCLGXBC-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]CCCCC#N)C1CC1 ZINC000411939270 191230692 /nfs/dbraw/zinc/23/06/92/191230692.db2.gz FJTMICHCCLGXBC-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412060738 191246035 /nfs/dbraw/zinc/24/60/35/191246035.db2.gz GUTRZLMEZDRDAL-ZDUSSCGKSA-N 1 0 225.332 2.228 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000334192914 352784394 /nfs/dbraw/zinc/78/43/94/352784394.db2.gz REYVNQQXPZSNRF-AWEZNQCLSA-N 1 0 221.344 2.292 20 30 BEEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000412071974 191251243 /nfs/dbraw/zinc/25/12/43/191251243.db2.gz HCXFTIZPKXIGQV-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC#N)C1(C)C ZINC000412071279 191251611 /nfs/dbraw/zinc/25/16/11/191251611.db2.gz KHMYTVFZKGCYNU-WDEREUQCSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000342810314 352861342 /nfs/dbraw/zinc/86/13/42/352861342.db2.gz XHQPKDVNOTWXJA-RWMBFGLXSA-N 1 0 243.391 2.089 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000342915074 352916471 /nfs/dbraw/zinc/91/64/71/352916471.db2.gz DBIQGJDYVPBMTP-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000334340807 352976787 /nfs/dbraw/zinc/97/67/87/352976787.db2.gz HWMBLGJIRDZZKZ-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC#N)C1 ZINC000334331928 352968904 /nfs/dbraw/zinc/96/89/04/352968904.db2.gz QHZLHGWHXISYJV-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO COCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000334365419 353019175 /nfs/dbraw/zinc/01/91/75/353019175.db2.gz ODEKOPHDOVMBNA-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1CC#N ZINC000334356077 352996526 /nfs/dbraw/zinc/99/65/26/352996526.db2.gz MDNXIELGQBHOMO-ZIAGYGMSSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC1(C(C)C)CC1 ZINC000638829017 353008105 /nfs/dbraw/zinc/00/81/05/353008105.db2.gz IEFIRZWNINFQGT-GFCCVEGCSA-N 1 0 211.349 2.197 20 30 BEEDRO C=C(C)CN1CCC([NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000336751427 353059575 /nfs/dbraw/zinc/05/95/75/353059575.db2.gz VHVYOWJQLPMROU-QWHCGFSZSA-N 1 0 222.376 2.273 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000379430212 358474272 /nfs/dbraw/zinc/47/42/72/358474272.db2.gz DVPDVRCEJFGIAT-LLVKDONJSA-N 1 0 219.332 2.209 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000638876384 353042071 /nfs/dbraw/zinc/04/20/71/353042071.db2.gz YFRFEOMOWXAQHB-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000638876081 353042445 /nfs/dbraw/zinc/04/24/45/353042445.db2.gz YFRFEOMOWXAQHB-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO CCOC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000336753560 353107495 /nfs/dbraw/zinc/10/74/95/353107495.db2.gz FAJBXYBHLNSEFV-AVGNSLFASA-N 1 0 224.348 2.329 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000334468355 353116231 /nfs/dbraw/zinc/11/62/31/353116231.db2.gz XVYRFYRORUZCEB-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nccnc1C ZINC000188204674 353128062 /nfs/dbraw/zinc/12/80/62/353128062.db2.gz OHKXSYJASPWUSX-ONGXEEELSA-N 1 0 205.305 2.400 20 30 BEEDRO CC[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233861183 188017178 /nfs/dbraw/zinc/01/71/78/188017178.db2.gz QWCCSPLVILFOIW-SNVBAGLBSA-N 1 0 218.300 2.455 20 30 BEEDRO Cc1n[nH]c(C)c1[C@H]1CCCN1CC1(C#N)CC1 ZINC000334472631 353118312 /nfs/dbraw/zinc/11/83/12/353118312.db2.gz KNGPQWQYNDYHLR-GFCCVEGCSA-N 1 0 244.342 2.467 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccccc1O ZINC000163893478 188042957 /nfs/dbraw/zinc/04/29/57/188042957.db2.gz FCMVDVLFMMJHNA-UHFFFAOYSA-N 1 0 223.341 2.401 20 30 BEEDRO CC(C)CO[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000119535536 535202281 /nfs/dbraw/zinc/20/22/81/535202281.db2.gz KJBFESSDDLTYIW-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc2ccccc2n1C ZINC000638967873 353175735 /nfs/dbraw/zinc/17/57/35/353175735.db2.gz FUMNDRIHAGYNPN-UHFFFAOYSA-N 1 0 244.338 2.471 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000336762135 353197582 /nfs/dbraw/zinc/19/75/82/353197582.db2.gz NVHPCSCLYGRSFB-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000331025026 353207937 /nfs/dbraw/zinc/20/79/37/353207937.db2.gz VOMVIGHHXYRUHZ-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CCOc1ccccc1C[NH+]1CCSCC1 ZINC000126214158 353247658 /nfs/dbraw/zinc/24/76/58/353247658.db2.gz WEBHJWHWSGRARH-UHFFFAOYSA-N 1 0 247.363 2.247 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000127666343 353273805 /nfs/dbraw/zinc/27/38/05/353273805.db2.gz OOJLPYVZWUKHQG-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC000289982797 353265736 /nfs/dbraw/zinc/26/57/36/353265736.db2.gz XZQIEBTVSWLZMA-GXTWGEPZSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C(C)C[NH2+]Cc1nc2ccccc2n1C ZINC000160762562 353268400 /nfs/dbraw/zinc/26/84/00/353268400.db2.gz YWOOYSBTAYPBBX-UHFFFAOYSA-N 1 0 215.300 2.239 20 30 BEEDRO C=CCC[C@H](CC)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000251657710 353286530 /nfs/dbraw/zinc/28/65/30/353286530.db2.gz KCEGBJWGDZWBLJ-XUJVJEKNSA-N 1 0 231.405 2.430 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000161641889 353290729 /nfs/dbraw/zinc/29/07/29/353290729.db2.gz ZAHKAVHTXZLMPI-PWSUYJOCSA-N 1 0 219.332 2.352 20 30 BEEDRO C[C@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C1CC1 ZINC000105488399 188253621 /nfs/dbraw/zinc/25/36/21/188253621.db2.gz NANWXYXNKRCRQI-GFCCVEGCSA-N 1 0 243.354 2.131 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)/C(C)=C/C)CC1 ZINC000267629286 188260594 /nfs/dbraw/zinc/26/05/94/188260594.db2.gz WFGIMUBALTZCDJ-LFYBBSHMSA-N 1 0 236.359 2.109 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@H]1CCCC[C@H]1O ZINC000252939009 353312263 /nfs/dbraw/zinc/31/22/63/353312263.db2.gz YXDDMBVMKCTKAV-JKSUJKDBSA-N 1 0 243.350 2.273 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000271471634 188262963 /nfs/dbraw/zinc/26/29/63/188262963.db2.gz IKTSVUGKIXQSCL-JSGCOSHPSA-N 1 0 217.312 2.376 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000271322229 188263453 /nfs/dbraw/zinc/26/34/53/188263453.db2.gz CGYNLNHOQXLPQO-ZDUSSCGKSA-N 1 0 246.358 2.062 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000273505946 188263824 /nfs/dbraw/zinc/26/38/24/188263824.db2.gz WCOOUTHNFBJVBP-SMDDNHRTSA-N 1 0 237.318 2.456 20 30 BEEDRO C=CCCCC[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000274415340 188264455 /nfs/dbraw/zinc/26/44/55/188264455.db2.gz HUDBBHYTJALTAV-AWEZNQCLSA-N 1 0 246.354 2.029 20 30 BEEDRO C=C(C)CC[N@@H+](CCO)Cc1ccccc1OC ZINC000274751720 188264986 /nfs/dbraw/zinc/26/49/86/188264986.db2.gz AXQCHFAPKMQVGB-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275682895 188265409 /nfs/dbraw/zinc/26/54/09/188265409.db2.gz IFKNPKHDMLTZRO-AXFHLTTASA-N 1 0 222.336 2.066 20 30 BEEDRO CC#CC[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000162303148 353310884 /nfs/dbraw/zinc/31/08/84/353310884.db2.gz AXRRFTVABJLBHV-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc(OCC)n1 ZINC000336772095 353311917 /nfs/dbraw/zinc/31/19/17/353311917.db2.gz XGNCOUQJPXJDNP-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000161800291 353297847 /nfs/dbraw/zinc/29/78/47/353297847.db2.gz XGMOYQXHTHFCAB-AWEZNQCLSA-N 1 0 246.354 2.324 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccco1 ZINC000336770193 353299700 /nfs/dbraw/zinc/29/97/00/353299700.db2.gz WIZQPVUUUFELBU-MNOVXSKESA-N 1 0 209.289 2.115 20 30 BEEDRO C#CCN1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000076120016 353331715 /nfs/dbraw/zinc/33/17/15/353331715.db2.gz VZYSFDBJSFCYKX-HNNXBMFYSA-N 1 0 242.366 2.216 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000162996202 353334754 /nfs/dbraw/zinc/33/47/54/353334754.db2.gz YRSOEKCEPHUROX-GXTWGEPZSA-N 1 0 247.313 2.192 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000619673311 363216063 /nfs/dbraw/zinc/21/60/63/363216063.db2.gz CXUOPQIFYCRUKD-HUUCEWRRSA-N 1 0 244.338 2.003 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000129539002 353317065 /nfs/dbraw/zinc/31/70/65/353317065.db2.gz HANHDRCUZWWQMA-ZDUSSCGKSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000129607621 353324999 /nfs/dbraw/zinc/32/49/99/353324999.db2.gz DFJHTCIEGBLUPY-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C#CC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000075865016 353327587 /nfs/dbraw/zinc/32/75/87/353327587.db2.gz RIAHLEWPYXDQNY-HNNXBMFYSA-N 1 0 229.323 2.158 20 30 BEEDRO C=CC[NH2+]C1CCN(c2ccccc2)CC1 ZINC000130663548 353357418 /nfs/dbraw/zinc/35/74/18/353357418.db2.gz VEUMBSLQBDJEOT-UHFFFAOYSA-N 1 0 216.328 2.431 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000037681337 188326443 /nfs/dbraw/zinc/32/64/43/188326443.db2.gz RCICRIHOYOBFJD-IUCAKERBSA-N 1 0 234.137 2.052 20 30 BEEDRO C=CCCCC[NH2+]C[C@H](OC)C1CCOCC1 ZINC000639057010 353362507 /nfs/dbraw/zinc/36/25/07/353362507.db2.gz VVOXSBVLKMVLFD-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N(CC)CC(=C)C ZINC000076736735 353340647 /nfs/dbraw/zinc/34/06/47/353340647.db2.gz AYQLRDNYHBDICM-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(OC)ccc1OC ZINC000130431414 353351142 /nfs/dbraw/zinc/35/11/42/353351142.db2.gz NILYAYMQXSNJJF-JTQLQIEISA-N 1 0 221.300 2.368 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1nccs1 ZINC000090883695 353394751 /nfs/dbraw/zinc/39/47/51/353394751.db2.gz IBNUMOPUZABNNT-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)c1cnc(C)nc1C ZINC000639067873 353378445 /nfs/dbraw/zinc/37/84/45/353378445.db2.gz NAGBAPNXSXHVSM-JTQLQIEISA-N 1 0 205.305 2.272 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000132657192 353384001 /nfs/dbraw/zinc/38/40/01/353384001.db2.gz BFNGBQCBRFNRKR-VXGBXAGGSA-N 1 0 241.375 2.249 20 30 BEEDRO CC(C)[N@@H+]1CCCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334509594 353419839 /nfs/dbraw/zinc/41/98/39/353419839.db2.gz QYJBWBXRKCGVKZ-KGLIPLIRSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)[N@@H+]1CCCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334509596 353419873 /nfs/dbraw/zinc/41/98/73/353419873.db2.gz QYJBWBXRKCGVKZ-ZIAGYGMSSA-N 1 0 235.375 2.095 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H](C)CCOC ZINC000081709727 353412712 /nfs/dbraw/zinc/41/27/12/353412712.db2.gz BCOYQTCFKOYWSM-CYBMUJFWSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000091988111 353415210 /nfs/dbraw/zinc/41/52/10/353415210.db2.gz GMTOMABHWKDHHU-GXTWGEPZSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CCC[N@@H+](C)Cc1c2c(nn1C)CCCC2 ZINC000639091097 353452411 /nfs/dbraw/zinc/45/24/11/353452411.db2.gz LRGYWOJGPHGMKY-UHFFFAOYSA-N 1 0 233.359 2.307 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc(CCOC)s1 ZINC000639091608 353452895 /nfs/dbraw/zinc/45/28/95/353452895.db2.gz QVVDRXYCUQJWBY-UHFFFAOYSA-N 1 0 240.372 2.340 20 30 BEEDRO C=CCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281672798 353456060 /nfs/dbraw/zinc/45/60/60/353456060.db2.gz LSVOGHGPHLSLJL-OAHLLOKOSA-N 1 0 231.339 2.376 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)c2cn[nH]c2)CC1 ZINC000281064263 353428421 /nfs/dbraw/zinc/42/84/21/353428421.db2.gz SGAIMWGEFRKNLT-LBPRGKRZSA-N 1 0 248.374 2.101 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](COC)c1ccccc1 ZINC000181687529 353438128 /nfs/dbraw/zinc/43/81/28/353438128.db2.gz YJUMLNAQZLWADD-LSDHHAIUSA-N 1 0 249.354 2.291 20 30 BEEDRO C#CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282671463 353481305 /nfs/dbraw/zinc/48/13/05/353481305.db2.gz JEWHMJBIXGCTCV-CQSZACIVSA-N 1 0 249.741 2.264 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)CC#N)[C@@H]1SC ZINC000336777173 353482480 /nfs/dbraw/zinc/48/24/80/353482480.db2.gz HPFDHPMQIGUUQZ-YFKTTZPYSA-N 1 0 242.388 2.177 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093303278 353484474 /nfs/dbraw/zinc/48/44/74/353484474.db2.gz IXDFBYVEHSAXMO-ZDUSSCGKSA-N 1 0 219.328 2.446 20 30 BEEDRO CC(C)C[C@@H](CNc1ccnc(C#N)c1)[NH+](C)C ZINC000299698890 188396740 /nfs/dbraw/zinc/39/67/40/188396740.db2.gz WYCIEMXPRSPYLJ-AWEZNQCLSA-N 1 0 246.358 2.341 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000283008911 353488865 /nfs/dbraw/zinc/48/88/65/353488865.db2.gz HAFPYKMOBPPPEW-CYBMUJFWSA-N 1 0 205.301 2.492 20 30 BEEDRO C=C(C[NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1 ZINC000134022059 353458261 /nfs/dbraw/zinc/45/82/61/353458261.db2.gz ZVSFTOXZXVDJQT-TZMCWYRMSA-N 1 0 217.312 2.467 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000412404370 191282284 /nfs/dbraw/zinc/28/22/84/191282284.db2.gz SNBRJUCQEVFDIX-GFCCVEGCSA-N 1 0 226.364 2.236 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000191749219 353508028 /nfs/dbraw/zinc/50/80/28/353508028.db2.gz AAXSLANDAGJFLQ-QMTHXVAHSA-N 1 0 248.301 2.212 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284337641 353510738 /nfs/dbraw/zinc/51/07/38/353510738.db2.gz QYPOJCLGDHWRCT-HUUCEWRRSA-N 1 0 228.339 2.045 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)C(C)C ZINC000284376600 353515349 /nfs/dbraw/zinc/51/53/49/353515349.db2.gz UNMAPQKFSUOWBE-HNNXBMFYSA-N 1 0 249.329 2.278 20 30 BEEDRO C=CCCCC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000183250644 353518614 /nfs/dbraw/zinc/51/86/14/353518614.db2.gz LFYOVJAELNTFJT-UHFFFAOYSA-N 1 0 248.326 2.319 20 30 BEEDRO C[C@H](CO)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000284827682 353522004 /nfs/dbraw/zinc/52/20/04/353522004.db2.gz QFEDVNDKDYDUAJ-LLVKDONJSA-N 1 0 237.730 2.004 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC)c(Cl)c1 ZINC000192231819 353538062 /nfs/dbraw/zinc/53/80/62/353538062.db2.gz QHYJWFZWTQYRQS-UHFFFAOYSA-N 1 0 223.703 2.414 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285696792 353538879 /nfs/dbraw/zinc/53/88/79/353538879.db2.gz OSSBELHDXBVFEW-NSHDSACASA-N 1 0 221.304 2.481 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285409929 353541781 /nfs/dbraw/zinc/54/17/81/353541781.db2.gz PKBLQBADRLEFKA-ZDUSSCGKSA-N 1 0 217.316 2.350 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC000285457791 353543146 /nfs/dbraw/zinc/54/31/46/353543146.db2.gz TVHOMSAICIYLKG-GASCZTMLSA-N 1 0 229.323 2.147 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000192133672 353543297 /nfs/dbraw/zinc/54/32/97/353543297.db2.gz NCAVWEZRGXGAOH-CHWSQXEVSA-N 1 0 237.249 2.018 20 30 BEEDRO C#CC[N@@H+](CC[C@@H](O)c1ccccc1)C1CC1 ZINC000285489976 353544207 /nfs/dbraw/zinc/54/42/07/353544207.db2.gz DKOZUFNLQJUCGC-OAHLLOKOSA-N 1 0 229.323 2.208 20 30 BEEDRO C=CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191625252 353500597 /nfs/dbraw/zinc/50/05/97/353500597.db2.gz PUOHBHNGTQHTIL-UHFFFAOYSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000193121065 353575439 /nfs/dbraw/zinc/57/54/39/353575439.db2.gz MTMJHGFSDPEDBH-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OC)c(C#N)c1)C(C)C ZINC000289372016 353626505 /nfs/dbraw/zinc/62/65/05/353626505.db2.gz LOZZXPXUQMFKPF-AWEZNQCLSA-N 1 0 242.322 2.314 20 30 BEEDRO C#CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289400465 353626573 /nfs/dbraw/zinc/62/65/73/353626573.db2.gz NXKFDXRDTDHTJR-LSDHHAIUSA-N 1 0 228.339 2.045 20 30 BEEDRO C[C@](CO)([NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000343313410 353627542 /nfs/dbraw/zinc/62/75/42/353627542.db2.gz HQMZELLUNSFYAS-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000289383229 353627657 /nfs/dbraw/zinc/62/76/57/353627657.db2.gz MQOYPWLUXUNKRB-GFCCVEGCSA-N 1 0 221.275 2.279 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000289525827 353631010 /nfs/dbraw/zinc/63/10/10/353631010.db2.gz PRUNONGAKQKWPA-LBPRGKRZSA-N 1 0 231.343 2.038 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000289527225 353631120 /nfs/dbraw/zinc/63/11/20/353631120.db2.gz GHSJLPDRESHWOH-XJKSGUPXSA-N 1 0 243.350 2.403 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000289527223 353631774 /nfs/dbraw/zinc/63/17/74/353631774.db2.gz GHSJLPDRESHWOH-CZUORRHYSA-N 1 0 243.350 2.403 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCOC3(CCC3)C2)cc1 ZINC000289527535 353631804 /nfs/dbraw/zinc/63/18/04/353631804.db2.gz GKALFRFGKMCDHE-UHFFFAOYSA-N 1 0 241.334 2.423 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1C ZINC000289545704 353632006 /nfs/dbraw/zinc/63/20/06/353632006.db2.gz QSTYWZDBPGZFPD-GFCCVEGCSA-N 1 0 239.322 2.292 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000289574530 353632603 /nfs/dbraw/zinc/63/26/03/353632603.db2.gz BDHQYFVWJLJXPN-UKRRQHHQSA-N 1 0 233.355 2.453 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000289566259 353632664 /nfs/dbraw/zinc/63/26/64/353632664.db2.gz ARIFRQLLJZQKEW-MWLCHTKSSA-N 1 0 248.351 2.494 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC2(O)CCC2)cc1 ZINC000289571428 353632860 /nfs/dbraw/zinc/63/28/60/353632860.db2.gz SMNZECODJFPGSU-UHFFFAOYSA-N 1 0 229.323 2.063 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000289754295 353633641 /nfs/dbraw/zinc/63/36/41/353633641.db2.gz LFYPAOMVEFDYDQ-WCQYABFASA-N 1 0 235.327 2.201 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(OC(C)C)cc1 ZINC000289746109 353634386 /nfs/dbraw/zinc/63/43/86/353634386.db2.gz HEAIGARRDXQHET-ZDUSSCGKSA-N 1 0 235.327 2.110 20 30 BEEDRO CCO[C@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343314859 353634472 /nfs/dbraw/zinc/63/44/72/353634472.db2.gz OPTNQXGYYAMVPZ-RYUDHWBXSA-N 1 0 236.359 2.426 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(OCC(C)C)cc1 ZINC000289803027 353636540 /nfs/dbraw/zinc/63/65/40/353636540.db2.gz LBKDIYAAGCWRLX-AWEZNQCLSA-N 1 0 249.354 2.358 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000184265090 353637640 /nfs/dbraw/zinc/63/76/40/353637640.db2.gz HKKBFBXZDUBOMK-ZDUSSCGKSA-N 1 0 235.327 2.036 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H](CO)CC=C)c1 ZINC000184262924 353637742 /nfs/dbraw/zinc/63/77/42/353637742.db2.gz JXZLRRNYALLWRJ-AWEZNQCLSA-N 1 0 247.338 2.278 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000289835046 353640003 /nfs/dbraw/zinc/64/00/03/353640003.db2.gz PNKFTDZERDCUDT-ONGXEEELSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CC[C@@H](c2ccccc2)C1 ZINC000289842402 353640293 /nfs/dbraw/zinc/64/02/93/353640293.db2.gz PYTRKTBZGMGQLB-KFWWJZLASA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000289861945 353640436 /nfs/dbraw/zinc/64/04/36/353640436.db2.gz QZDAERDXBRVBEO-RYUDHWBXSA-N 1 0 235.327 2.207 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000289931448 353643163 /nfs/dbraw/zinc/64/31/63/353643163.db2.gz VNQCYQBIBMRPEX-ATGSNQNLSA-N 1 0 231.339 2.315 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000289931451 353643404 /nfs/dbraw/zinc/64/34/04/353643404.db2.gz VNQCYQBIBMRPEX-MXAVVETBSA-N 1 0 231.339 2.315 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290086472 353647931 /nfs/dbraw/zinc/64/79/31/353647931.db2.gz ZHODWGYXKONEJF-GFCCVEGCSA-N 1 0 205.305 2.014 20 30 BEEDRO C#Cc1ccc(CN2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000290127151 353648840 /nfs/dbraw/zinc/64/88/40/353648840.db2.gz URTVLWMWXULYMH-MRXNPFEDSA-N 1 0 242.366 2.051 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCn1cccn1)C(C)(C)C ZINC000290114904 353648988 /nfs/dbraw/zinc/64/89/88/353648988.db2.gz ILPMGDNPJYDKHW-OLZOCXBDSA-N 1 0 233.359 2.299 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000290157197 353649897 /nfs/dbraw/zinc/64/98/97/353649897.db2.gz LOYNCDLHFPXIMH-UHFFFAOYSA-N 1 0 227.307 2.104 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2(C)CCOCC2)cc1 ZINC000290134852 353650145 /nfs/dbraw/zinc/65/01/45/353650145.db2.gz QIFHAONUGCMVCF-UHFFFAOYSA-N 1 0 229.323 2.327 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000136056635 353611091 /nfs/dbraw/zinc/61/10/91/353611091.db2.gz RKCKOLQREKEQOR-LBPRGKRZSA-N 1 0 234.347 2.224 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2c1OCCO2)C(C)C ZINC000289338568 353612669 /nfs/dbraw/zinc/61/26/69/353612669.db2.gz HPCIBBOVAKEHOQ-CYBMUJFWSA-N 1 0 245.322 2.205 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)C(C)C ZINC000289322986 353613508 /nfs/dbraw/zinc/61/35/08/353613508.db2.gz FYEKMRMAAPKKNO-ZDUSSCGKSA-N 1 0 247.386 2.465 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)c(OC)c1)C(C)C ZINC000289343921 353614521 /nfs/dbraw/zinc/61/45/21/353614521.db2.gz IFYNPXRURMAGFQ-CYBMUJFWSA-N 1 0 247.338 2.451 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)C(C)C ZINC000289101722 353618358 /nfs/dbraw/zinc/61/83/58/353618358.db2.gz CEDLATBOCRCDFQ-ZDUSSCGKSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000289110000 353618589 /nfs/dbraw/zinc/61/85/89/353618589.db2.gz CSENIGFRZGHIDJ-YCPHGPKFSA-N 1 0 242.366 2.118 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCO)C2CCCC2)cc1 ZINC000289143674 353618971 /nfs/dbraw/zinc/61/89/71/353618971.db2.gz POLLVZBSAVWPEG-UHFFFAOYSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCN2CC)cc1 ZINC000289206687 353619819 /nfs/dbraw/zinc/61/98/19/353619819.db2.gz IEJJDYXAAMRUQO-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(C)(C)CCO)cc1 ZINC000290527914 353659264 /nfs/dbraw/zinc/65/92/64/353659264.db2.gz XZHLZFVXRLQCBE-UHFFFAOYSA-N 1 0 231.339 2.166 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)[C@H](C)CC)cc1 ZINC000290406279 353662569 /nfs/dbraw/zinc/66/25/69/353662569.db2.gz PVEHPIJWZCLBMU-DOMZBBRYSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](COC)C2CC2)cc1 ZINC000290429694 353663612 /nfs/dbraw/zinc/66/36/12/353663612.db2.gz RPWSWSVJSWESSY-HNNXBMFYSA-N 1 0 229.323 2.183 20 30 BEEDRO CO[C@@]1(C)C[C@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343320757 353677054 /nfs/dbraw/zinc/67/70/54/353677054.db2.gz MLOUYMIYHMQAQN-AAEUAGOBSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CC2(C#N)CC2)C[C@H]1C ZINC000343316597 353654755 /nfs/dbraw/zinc/65/47/55/353654755.db2.gz SZPKOPFRJUHUSE-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CCO)C(C)C)cc1 ZINC000290473841 353655908 /nfs/dbraw/zinc/65/59/08/353655908.db2.gz UWBXMUDQPFKGJQ-OAHLLOKOSA-N 1 0 231.339 2.165 20 30 BEEDRO CC#CCC[N@@H+]1CCn2cccc2[C@@H]1C ZINC000184965273 353734018 /nfs/dbraw/zinc/73/40/18/353734018.db2.gz SSHTZTJTVGYBGE-LBPRGKRZSA-N 1 0 202.301 2.278 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291918630 353701386 /nfs/dbraw/zinc/70/13/86/353701386.db2.gz SCXHTAGYYWDTGG-INIZCTEOSA-N 1 0 243.350 2.036 20 30 BEEDRO COc1ccc(CN(C)CC2(C#N)CC2)cc1O ZINC000343324307 353705306 /nfs/dbraw/zinc/70/53/06/353705306.db2.gz WVRIBWTZEVBRSC-UHFFFAOYSA-N 1 0 246.310 2.136 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292198510 353706236 /nfs/dbraw/zinc/70/62/36/353706236.db2.gz NQCPQZIPLPSDMZ-OCCSQVGLSA-N 1 0 246.354 2.200 20 30 BEEDRO C#CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292635485 353718677 /nfs/dbraw/zinc/71/86/77/353718677.db2.gz HAEWCEYAKKXQOC-CQSZACIVSA-N 1 0 229.323 2.113 20 30 BEEDRO C=CCOCC[N@@H+](CC)Cc1ccccn1 ZINC000292843408 353727011 /nfs/dbraw/zinc/72/70/11/353727011.db2.gz PUEXZTJXSAUZAL-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cnc(C)s1 ZINC000292950049 353729988 /nfs/dbraw/zinc/72/99/88/353729988.db2.gz BNGISPGESHGWJJ-UHFFFAOYSA-N 1 0 226.345 2.086 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000293686868 353754427 /nfs/dbraw/zinc/75/44/27/353754427.db2.gz BAVYHBQEWMIVEV-AWEZNQCLSA-N 1 0 249.358 2.150 20 30 BEEDRO C=CCOCC[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000293721117 353755814 /nfs/dbraw/zinc/75/58/14/353755814.db2.gz FQDNCIMHKXAXEN-UHFFFAOYSA-N 1 0 249.358 2.100 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000580343399 353765239 /nfs/dbraw/zinc/76/52/39/353765239.db2.gz NWMDMWWABXVTGB-NWANDNLSSA-N 1 0 246.354 2.433 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000580343398 353765255 /nfs/dbraw/zinc/76/52/55/353765255.db2.gz NWMDMWWABXVTGB-CFVMTHIKSA-N 1 0 246.354 2.433 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000295229450 353799456 /nfs/dbraw/zinc/79/94/56/353799456.db2.gz OCZIHAWJKRPZSM-CQSZACIVSA-N 1 0 247.313 2.334 20 30 BEEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(CC)o1 ZINC000295079167 353800574 /nfs/dbraw/zinc/80/05/74/353800574.db2.gz SZHDIJZQSOYUQC-ZDUSSCGKSA-N 1 0 248.370 2.448 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccnc1N ZINC000295116198 353801487 /nfs/dbraw/zinc/80/14/87/353801487.db2.gz WAVXXSYSRKYKBV-UHFFFAOYSA-N 1 0 205.305 2.062 20 30 BEEDRO C#CCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000066853194 353817803 /nfs/dbraw/zinc/81/78/03/353817803.db2.gz JMCQWDPUVKAQDS-TZMCWYRMSA-N 1 0 215.296 2.082 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccncc1C ZINC000296736953 353831603 /nfs/dbraw/zinc/83/16/03/353831603.db2.gz JWHGGAXQIAHIHW-GJZGRUSLSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccncc1C ZINC000296736962 353832042 /nfs/dbraw/zinc/83/20/42/353832042.db2.gz JWHGGAXQIAHIHW-LSDHHAIUSA-N 1 0 246.354 2.461 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1 ZINC000294807163 353790144 /nfs/dbraw/zinc/79/01/44/353790144.db2.gz NLWZWANDPWYIGS-AWEZNQCLSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C ZINC000294940951 353793906 /nfs/dbraw/zinc/79/39/06/353793906.db2.gz DSRCHNQMURATER-DGCLKSJQSA-N 1 0 232.327 2.076 20 30 BEEDRO C=CCCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000366831786 353895261 /nfs/dbraw/zinc/89/52/61/353895261.db2.gz OBCIKTLNDJTQRQ-MELADBBJSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CC(C)(C)CCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000627105724 363265793 /nfs/dbraw/zinc/26/57/93/363265793.db2.gz 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ZINC000164621509 354200645 /nfs/dbraw/zinc/20/06/45/354200645.db2.gz GDLQXWARFPXNFH-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO CCOc1cccc(C[NH2+]CCCCC#N)n1 ZINC000344284513 354203028 /nfs/dbraw/zinc/20/30/28/354203028.db2.gz PLYNHVXROJWTGG-UHFFFAOYSA-N 1 0 233.315 2.264 20 30 BEEDRO N#Cc1cc(F)c(NC[C@H]2CCC[NH2+]2)c(F)c1 ZINC000116625510 181086893 /nfs/dbraw/zinc/08/68/93/181086893.db2.gz MQASAAFFUHRXLN-SECBINFHSA-N 1 0 237.253 2.000 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344333275 354229454 /nfs/dbraw/zinc/22/94/54/354229454.db2.gz QZDWEMTYIIBKFH-NEPJUHHUSA-N 1 0 248.374 2.233 20 30 BEEDRO C[C@H](CN(C)CC1(C#N)CC1)c1nccs1 ZINC000344334777 354229816 /nfs/dbraw/zinc/22/98/16/354229816.db2.gz HJHDIOCJLIHIJD-SNVBAGLBSA-N 1 0 235.356 2.482 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2NCC3)C1 ZINC000334617210 354304471 /nfs/dbraw/zinc/30/44/71/354304471.db2.gz WFBVDEDDRTTYDE-RISCZKNCSA-N 1 0 241.338 2.436 20 30 BEEDRO N#Cc1ccc(C[N@@H+](CCO)C2CCCC2)cc1 ZINC000048284013 181102197 /nfs/dbraw/zinc/10/21/97/181102197.db2.gz APDHZSAXMSPAEK-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CCCC2)o1 ZINC000135481517 181107970 /nfs/dbraw/zinc/10/79/70/181107970.db2.gz RSRSVRXJCRPLGL-UHFFFAOYSA-N 1 0 204.273 2.431 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccncc2)s1 ZINC000127340839 181108639 /nfs/dbraw/zinc/10/86/39/181108639.db2.gz RYUTYTBFJXAWCG-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccco2)cc1 ZINC000035121748 181108771 /nfs/dbraw/zinc/10/87/71/181108771.db2.gz ZUFGNOPGYULEQA-UHFFFAOYSA-N 1 0 226.279 2.484 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCSC2)o1 ZINC000135502723 181109467 /nfs/dbraw/zinc/10/94/67/181109467.db2.gz CCTVELRSLRRIPK-SECBINFHSA-N 1 0 222.313 2.136 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000037749103 181109572 /nfs/dbraw/zinc/10/95/72/181109572.db2.gz VPLDWJYYLNSDCD-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)s1 ZINC000135500519 181109756 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C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C1 ZINC000623748691 355229018 /nfs/dbraw/zinc/22/90/18/355229018.db2.gz DCLATYOQICEGHO-LPWJVIDDSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347638397 355244387 /nfs/dbraw/zinc/24/43/87/355244387.db2.gz JASAPLKMAKMEOX-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000347638396 355244440 /nfs/dbraw/zinc/24/44/40/355244440.db2.gz JASAPLKMAKMEOX-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCO1 ZINC000414168729 191451639 /nfs/dbraw/zinc/45/16/39/191451639.db2.gz RAUBROZZULYYJY-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CCOC1(C)C ZINC000414174530 191452019 /nfs/dbraw/zinc/45/20/19/191452019.db2.gz YEOGNMNZLIYGSJ-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCOC1 ZINC000414175054 191452212 /nfs/dbraw/zinc/45/22/12/191452212.db2.gz YWILYEHVQFDQML-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 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247.342 2.494 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415939655 191704266 /nfs/dbraw/zinc/70/42/66/191704266.db2.gz CTZUEYHXCXMREA-JTQLQIEISA-N 1 0 233.315 2.102 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@]2(OC)CCOC2)C1 ZINC000639310480 355669324 /nfs/dbraw/zinc/66/93/24/355669324.db2.gz PKXMBXMQTSVAGC-UONOGXRCSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCC1([NH2+][C@H](C)[C@@H]2CCCO2)CCOCC1 ZINC000639316669 355702696 /nfs/dbraw/zinc/70/26/96/355702696.db2.gz XJPOZQCWNIYZCX-OLZOCXBDSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC1([NH2+]C[C@H](OC)C2CC2)CCOCC1 ZINC000639315148 355706315 /nfs/dbraw/zinc/70/63/15/355706315.db2.gz QMRZHXNWQKMMAQ-ZDUSSCGKSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000639316074 355707515 /nfs/dbraw/zinc/70/75/15/355707515.db2.gz LRHPTKUUSQGZEM-NXEZZACHSA-N 1 0 219.275 2.212 20 30 BEEDRO C=CCC1([NH2+][C@H](C)[C@H](C)OC)CCOCC1 ZINC000639317195 355707525 /nfs/dbraw/zinc/70/75/25/355707525.db2.gz ZWGFOJPGCDOQTK-NEPJUHHUSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000639316150 355708454 /nfs/dbraw/zinc/70/84/54/355708454.db2.gz MXHYPPCIPHDGKO-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639317791 355713237 /nfs/dbraw/zinc/71/32/37/355713237.db2.gz VOKWYIYUZINMSW-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(OC)no1 ZINC000639323972 355718419 /nfs/dbraw/zinc/71/84/19/355718419.db2.gz HSYWDGUGCRDDNW-SECBINFHSA-N 1 0 210.277 2.128 20 30 BEEDRO CC1(C[NH2+]CCOc2ccc(C#N)cc2)CC1 ZINC000520691213 259458290 /nfs/dbraw/zinc/45/82/90/259458290.db2.gz ZTYPAYLSYMUYLN-UHFFFAOYSA-N 1 0 230.311 2.327 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)CC(C)C ZINC000417365370 191801281 /nfs/dbraw/zinc/80/12/81/191801281.db2.gz MSEYKYOHBLPRMI-UPJWGTAASA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000399124808 355748711 /nfs/dbraw/zinc/74/87/11/355748711.db2.gz JIXBQDBCHXIYFI-OAHLLOKOSA-N 1 0 244.338 2.267 20 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BEEDRO C#CC[N@@H+](C)[C@H]1CCCc2nc(C)sc21 ZINC000111313252 355878840 /nfs/dbraw/zinc/87/88/40/355878840.db2.gz CVDYGYZQRJLHET-NSHDSACASA-N 1 0 220.341 2.394 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341982226 166416849 /nfs/dbraw/zinc/41/68/49/166416849.db2.gz DIENIFDVFZQCJH-AWEZNQCLSA-N 1 0 239.359 2.082 20 30 BEEDRO CCC[N@H+](C)C[C@H]1CCN([C@@H](C)CCC#N)C1 ZINC000351224327 355964180 /nfs/dbraw/zinc/96/41/80/355964180.db2.gz KDAQAFSNGHCOBC-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617552861 356109662 /nfs/dbraw/zinc/10/96/62/356109662.db2.gz WLPZNXYMXNUDDM-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](OCCOC)C1 ZINC000351718912 356069607 /nfs/dbraw/zinc/06/96/07/356069607.db2.gz LJGYZRZZMRJLQG-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000351734513 356074814 /nfs/dbraw/zinc/07/48/14/356074814.db2.gz JJGKSBQPOJEYBV-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO N#CC1(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CCC1 ZINC000329844071 356129895 /nfs/dbraw/zinc/12/98/95/356129895.db2.gz OIIHMDYNIVUPNJ-LBPRGKRZSA-N 1 0 247.342 2.264 20 30 BEEDRO C=CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000617617364 356193444 /nfs/dbraw/zinc/19/34/44/356193444.db2.gz CVHFAJKKUOKGRV-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617759660 356316188 /nfs/dbraw/zinc/31/61/88/356316188.db2.gz LGHJWRRGWXURBZ-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[NH2+][C@H](CN)C1CCCCC1 ZINC000420359113 192221786 /nfs/dbraw/zinc/22/17/86/192221786.db2.gz FYPDSQAOBGXPTI-CYBMUJFWSA-N 1 0 210.365 2.450 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)C[C@H](C)O ZINC000352203177 134102567 /nfs/dbraw/zinc/10/25/67/134102567.db2.gz PTWFWNLLINCBRO-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C[NH+](C)C1CCC(Nc2cccc(C#N)n2)CC1 ZINC000420625619 192251486 /nfs/dbraw/zinc/25/14/86/192251486.db2.gz KXMOORSDUVDDOY-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2nccs2)C1 ZINC000192786990 356438205 /nfs/dbraw/zinc/43/82/05/356438205.db2.gz IQJSKWDZFDJFLD-WDEREUQCSA-N 1 0 235.356 2.358 20 30 BEEDRO COCC1(C[NH2+]C[C@@H](C#N)CCC#N)CCCC1 ZINC000582231529 356491269 /nfs/dbraw/zinc/49/12/69/356491269.db2.gz JNYHFJQDVBNOAE-CYBMUJFWSA-N 1 0 249.358 2.226 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)C1 ZINC000420900856 192268008 /nfs/dbraw/zinc/26/80/08/192268008.db2.gz JQTJDNRIXRVZMJ-GASCZTMLSA-N 1 0 231.339 2.446 20 30 BEEDRO CC(C)[C@]1(CO)CCC[N@H+](CC2(C#N)CC2)C1 ZINC000339706302 535310025 /nfs/dbraw/zinc/31/00/25/535310025.db2.gz FRLSQMYFZJNUEJ-CQSZACIVSA-N 1 0 236.359 2.021 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000420960181 192281116 /nfs/dbraw/zinc/28/11/16/192281116.db2.gz GIXDKOXTCIJEQC-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO Cc1noc([C@H](C)[NH2+]CC(C)(C)CCC#N)n1 ZINC000352253302 134118822 /nfs/dbraw/zinc/11/88/22/134118822.db2.gz VWOSHMSTEPOILL-VIFPVBQESA-N 1 0 236.319 2.359 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CCCO)C2)cc1 ZINC000449793448 202036797 /nfs/dbraw/zinc/03/67/97/202036797.db2.gz WWSLADWRHBGDLX-CQSZACIVSA-N 1 0 244.338 2.153 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)C1CCCCC1 ZINC000179799381 366301484 /nfs/dbraw/zinc/30/14/84/366301484.db2.gz XRGZVGYJEBIMCM-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1cc(C[N@H+]2C[C@@H](O)CC[C@H]2C)ccc1C#N ZINC000421020977 192306604 /nfs/dbraw/zinc/30/66/04/192306604.db2.gz NUEPLZMPQJPZJN-DOMZBBRYSA-N 1 0 244.338 2.212 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000123638044 358506181 /nfs/dbraw/zinc/50/61/81/358506181.db2.gz TYFGQBYPIWRKDR-XQQFMLRXSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000301763158 356565095 /nfs/dbraw/zinc/56/50/95/356565095.db2.gz VSACAPDGXAMLRZ-GFCCVEGCSA-N 1 0 230.311 2.411 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000449985961 202063409 /nfs/dbraw/zinc/06/34/09/202063409.db2.gz FLUONDLNEQKVCW-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 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BEEDRO C=C(C)CN1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000336297648 134142674 /nfs/dbraw/zinc/14/26/74/134142674.db2.gz QLVQVMQHENRZQF-CYBMUJFWSA-N 1 0 222.376 2.369 20 30 BEEDRO C[N@H+](CCc1ccccn1)CC1(CC#N)CC1 ZINC000088259260 356646255 /nfs/dbraw/zinc/64/62/55/356646255.db2.gz VEQAQVJFOXTWMH-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO C[N@H+](Cc1ccccn1)CC1(CC#N)CC1 ZINC000088259289 356646363 /nfs/dbraw/zinc/64/63/63/356646363.db2.gz OGHBOLJODJRYTE-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO C[N@H+](CCc1ccncc1)CC1(CC#N)CC1 ZINC000088259308 356646759 /nfs/dbraw/zinc/64/67/59/356646759.db2.gz BYIOOVYHCWWULD-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CC1(CC#N)CC1 ZINC000088259332 356647031 /nfs/dbraw/zinc/64/70/31/356647031.db2.gz CPRDCILJZFAYIT-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CC1(CC#N)CC1 ZINC000088259335 356647747 /nfs/dbraw/zinc/64/77/47/356647747.db2.gz CPRDCILJZFAYIT-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000168202926 356680089 /nfs/dbraw/zinc/68/00/89/356680089.db2.gz QMRBFQYGTHGZKY-SFYZADRCSA-N 1 0 236.178 2.379 20 30 BEEDRO C[C@@]1(CCCO)CCC[N@@H+]1CCCCC#N ZINC000352867832 134155006 /nfs/dbraw/zinc/15/50/06/134155006.db2.gz LEKKPVXHIWYZBG-ZDUSSCGKSA-N 1 0 224.348 2.307 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020084896 134155091 /nfs/dbraw/zinc/15/50/91/134155091.db2.gz JXUDXGMUHFQRNK-VIFPVBQESA-N 1 0 206.245 2.431 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]CCOCC)cc1 ZINC000113323628 134161280 /nfs/dbraw/zinc/16/12/80/134161280.db2.gz VYDGXPNWFNVHKD-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO CC(C)(C)C[N@H+](CCCO)CC1(C#N)CCC1 ZINC000450394597 202150382 /nfs/dbraw/zinc/15/03/82/202150382.db2.gz XWQSWPLKVSQZMI-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C=C(C)CN1CC[N@@H+](CC(=C)C)C[C@@H]1C ZINC000114203716 134161609 /nfs/dbraw/zinc/16/16/09/134161609.db2.gz QWWDMBBGZMWAJT-ZDUSSCGKSA-N 1 0 208.349 2.145 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353022727 134158692 /nfs/dbraw/zinc/15/86/92/134158692.db2.gz MCJMEFYEOASNDI-LLVKDONJSA-N 1 0 249.301 2.140 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CO)C2CCCC2)C1 ZINC000353480778 134164042 /nfs/dbraw/zinc/16/40/42/134164042.db2.gz JAIAURPRAXNZCE-MRVWCRGKSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353783294 134165175 /nfs/dbraw/zinc/16/51/75/134165175.db2.gz AVVABARLWSUZKH-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CC#Cc1ccccc1 ZINC000353219878 134162490 /nfs/dbraw/zinc/16/24/90/134162490.db2.gz NWWXIAWYTZTVIO-ZDUSSCGKSA-N 1 0 217.312 2.005 20 30 BEEDRO COCC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000088494180 356722532 /nfs/dbraw/zinc/72/25/32/356722532.db2.gz JEVQJCAVMGAWSN-GFCCVEGCSA-N 1 0 232.327 2.415 20 30 BEEDRO C=CC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623337093 356729156 /nfs/dbraw/zinc/72/91/56/356729156.db2.gz UXFBYROEGAKSNQ-UHFFFAOYSA-N 1 0 226.270 2.306 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CC2(C#N)CCC2)C[C@H]1C ZINC000450465071 202175066 /nfs/dbraw/zinc/17/50/66/202175066.db2.gz DATVSRREWGURCN-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CC[N@@H+](CC)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639821293 356802443 /nfs/dbraw/zinc/80/24/43/356802443.db2.gz UYSHEVIAGBXXQM-JTQLQIEISA-N 1 0 236.281 2.131 20 30 BEEDRO C=CCC1(C(=O)NC[C@@H](C)C[NH+](C)C)CCC1 ZINC000355740090 134174928 /nfs/dbraw/zinc/17/49/28/134174928.db2.gz LBMSQMYRJDZWPA-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000089108373 356935521 /nfs/dbraw/zinc/93/55/21/356935521.db2.gz RTNVZNWJYMLCDJ-TZMCWYRMSA-N 1 0 229.327 2.488 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359990880 356899993 /nfs/dbraw/zinc/89/99/93/356899993.db2.gz FFWMIXZYQVZSSQ-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO N#CCCN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000049835985 356974516 /nfs/dbraw/zinc/97/45/16/356974516.db2.gz YBXHOXCOCBOGFV-UHFFFAOYSA-N 1 0 247.386 2.408 20 30 BEEDRO C=CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000152306297 357023511 /nfs/dbraw/zinc/02/35/11/357023511.db2.gz KPRFOCYPMCBKSU-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423221349 192633462 /nfs/dbraw/zinc/63/34/62/192633462.db2.gz ZLYQKRGYLZLMCM-GHMZBOCLSA-N 1 0 232.327 2.401 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCCC#N ZINC000389847031 357053365 /nfs/dbraw/zinc/05/33/65/357053365.db2.gz REEKDIQNNBMSJP-DZGCQCFKSA-N 1 0 243.354 2.010 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccsc1 ZINC000389894888 357062153 /nfs/dbraw/zinc/06/21/53/357062153.db2.gz YDNXMCCQPJCWBV-ZYHUDNBSSA-N 1 0 225.357 2.206 20 30 BEEDRO C=CCCN1Cc2ccc(C(=O)OC)cc2C1 ZINC000610079049 357064813 /nfs/dbraw/zinc/06/48/13/357064813.db2.gz XCDYNLIACWSKSM-UHFFFAOYSA-N 1 0 231.295 2.365 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000358177927 134187095 /nfs/dbraw/zinc/18/70/95/134187095.db2.gz PLWFYHXUBVFXEZ-OKZRHMCRSA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCC[C@@H](NCC[NH2+]CC)c1ccco1 ZINC000423247342 192650560 /nfs/dbraw/zinc/65/05/60/192650560.db2.gz OSHPZHMYXOZZOH-GFCCVEGCSA-N 1 0 222.332 2.486 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000628405705 357198412 /nfs/dbraw/zinc/19/84/12/357198412.db2.gz RTENRKOUPCBYEZ-LLVKDONJSA-N 1 0 205.305 2.116 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000628405784 357200032 /nfs/dbraw/zinc/20/00/32/357200032.db2.gz UHUGXLJRSFOMJA-LBPRGKRZSA-N 1 0 219.332 2.425 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(C)nc2CC)C1 ZINC000628406545 357201301 /nfs/dbraw/zinc/20/13/01/357201301.db2.gz LRFWUPWXRBGIHG-LBPRGKRZSA-N 1 0 233.359 2.381 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639890541 357206465 /nfs/dbraw/zinc/20/64/65/357206465.db2.gz SAELGAIHJAKOBB-XQQFMLRXSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CCO)C1CCOCC1 ZINC000359401999 134194989 /nfs/dbraw/zinc/19/49/89/134194989.db2.gz SXUCTNQLPXHMKM-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000393830294 357302379 /nfs/dbraw/zinc/30/23/79/357302379.db2.gz JLUHCYCKNCWNCX-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](CC)Cc1cn(C)nn1 ZINC000359633401 134196137 /nfs/dbraw/zinc/19/61/37/134196137.db2.gz JOGLBULIJJNLIN-GFCCVEGCSA-N 1 0 236.363 2.382 20 30 BEEDRO CCc1ccc([C@@H](CO)[NH2+]CCCC#N)cc1 ZINC000359625891 134196324 /nfs/dbraw/zinc/19/63/24/134196324.db2.gz PPUZNABXUCCVER-CQSZACIVSA-N 1 0 232.327 2.176 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cc(C)nc(C)n2)CC1 ZINC000359717942 134196845 /nfs/dbraw/zinc/19/68/45/134196845.db2.gz QFTSDUIYUSMTOH-UHFFFAOYSA-N 1 0 246.358 2.156 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000582915546 357435022 /nfs/dbraw/zinc/43/50/22/357435022.db2.gz PYUBYKNPPXBOCM-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+]CCCCC#N ZINC000582959886 357438241 /nfs/dbraw/zinc/43/82/41/357438241.db2.gz QNBZBHFIZVOUAS-GFCCVEGCSA-N 1 0 212.337 2.067 20 30 BEEDRO C[N@H+](CCCSCC#N)C(C)(C)C ZINC000583001607 357453740 /nfs/dbraw/zinc/45/37/40/357453740.db2.gz LCWUIKNRNITZKX-UHFFFAOYSA-N 1 0 200.351 2.364 20 30 BEEDRO C=CCCC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361485471 134205678 /nfs/dbraw/zinc/20/56/78/134205678.db2.gz NTTXVBZAHJCJED-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](CC)CCC ZINC000188479759 357555261 /nfs/dbraw/zinc/55/52/61/357555261.db2.gz ZKCFKNCKUWIXTQ-AWEZNQCLSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CC[NH+]1CCC(COc2ccccc2)CC1 ZINC000055081279 363584493 /nfs/dbraw/zinc/58/44/93/363584493.db2.gz YNXPYMZIWZIRIF-UHFFFAOYSA-N 1 0 229.323 2.411 20 30 BEEDRO CC#CCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000362088415 134208796 /nfs/dbraw/zinc/20/87/96/134208796.db2.gz PWUJHJRKUVIIPE-OAHLLOKOSA-N 1 0 231.339 2.247 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000362299336 134209660 /nfs/dbraw/zinc/20/96/60/134209660.db2.gz ZWJJRPZTROYRDB-DGCLKSJQSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000362295831 134209686 /nfs/dbraw/zinc/20/96/86/134209686.db2.gz AWPVFXXCPUMTSX-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000362300260 538875869 /nfs/dbraw/zinc/87/58/69/538875869.db2.gz LANATRIKUINWHK-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000361889055 134208155 /nfs/dbraw/zinc/20/81/55/134208155.db2.gz NKXXEUXOFDFYCU-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)[C@@H](C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189594444 357644685 /nfs/dbraw/zinc/64/46/85/357644685.db2.gz POHLFSMVLLFSSG-NSHDSACASA-N 1 0 219.332 2.278 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189958317 357678044 /nfs/dbraw/zinc/67/80/44/357678044.db2.gz LREQQKZLTVBFCH-JTQLQIEISA-N 1 0 222.336 2.087 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(OC)nc1 ZINC000232148925 357652834 /nfs/dbraw/zinc/65/28/34/357652834.db2.gz WCIRYQKRYAYSKC-UHFFFAOYSA-N 1 0 238.356 2.099 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCCOCC1 ZINC000232528173 357663548 /nfs/dbraw/zinc/66/35/48/357663548.db2.gz MXOGMTFFTMZTHT-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)s1 ZINC000190329522 357701312 /nfs/dbraw/zinc/70/13/12/357701312.db2.gz FWMSETOHTMTMHD-JHJVBQTASA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCN(CCC)[C@@H](CC)C(=O)OCC ZINC000190356360 357702816 /nfs/dbraw/zinc/70/28/16/357702816.db2.gz VRJVSOXEXFMXCC-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CC[N@@H+](CCOC)[C@H](C)c1ccccn1 ZINC000191102203 357750337 /nfs/dbraw/zinc/75/03/37/357750337.db2.gz AFOXFUZLFCMUIJ-GFCCVEGCSA-N 1 0 220.316 2.277 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(F)c(C#N)c1 ZINC000191128358 357752831 /nfs/dbraw/zinc/75/28/31/357752831.db2.gz IERZMTRXZSREQD-UHFFFAOYSA-N 1 0 248.301 2.332 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC#N)C1 ZINC000369325525 134222271 /nfs/dbraw/zinc/22/22/71/134222271.db2.gz VBYMUMHICDMECZ-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC#N)C1 ZINC000369325524 134222455 /nfs/dbraw/zinc/22/24/55/134222455.db2.gz VBYMUMHICDMECZ-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO C[N@H+](CCCSCC#N)Cc1cccnc1 ZINC000119017653 134224341 /nfs/dbraw/zinc/22/43/41/134224341.db2.gz XFBSBCNVTBUCNF-UHFFFAOYSA-N 1 0 235.356 2.160 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC#Cc1ccccc1 ZINC000235436468 357869298 /nfs/dbraw/zinc/86/92/98/357869298.db2.gz DCUAENYUQSNTLW-DZGCQCFKSA-N 1 0 229.323 2.195 20 30 BEEDRO C=C(C)C[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000120052915 134227166 /nfs/dbraw/zinc/22/71/66/134227166.db2.gz TTYWKAHZLDJMAX-ZDUSSCGKSA-N 1 0 239.359 2.080 20 30 BEEDRO C[C@@H]1CN(C)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000235473557 357871454 /nfs/dbraw/zinc/87/14/54/357871454.db2.gz TUQQJBQDDKLYAG-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000120497899 134229560 /nfs/dbraw/zinc/22/95/60/134229560.db2.gz KCJSNKFMQHRNTQ-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C[C@@H]1SCC[N@H+](CCCSCC#N)[C@H]1C ZINC000074991137 325273981 /nfs/dbraw/zinc/27/39/81/325273981.db2.gz ZZONIARFKRRVIS-QWRGUYRKSA-N 1 0 244.429 2.459 20 30 BEEDRO COC[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399347721 357904349 /nfs/dbraw/zinc/90/43/49/357904349.db2.gz KWOCFSMVMYXVOU-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000583747397 357932318 /nfs/dbraw/zinc/93/23/18/357932318.db2.gz MCSUDXCFOXGAOS-HPCHECBXSA-N 1 0 221.344 2.356 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000374007124 134235319 /nfs/dbraw/zinc/23/53/19/134235319.db2.gz BKEYEZHFYYPQIW-LLVKDONJSA-N 1 0 204.273 2.373 20 30 BEEDRO C=C(C)C[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000374633543 134237724 /nfs/dbraw/zinc/23/77/24/134237724.db2.gz WBCPIPSCQDZQEZ-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375338819 134238982 /nfs/dbraw/zinc/23/89/82/134238982.db2.gz SVJUVDLKUJCUCW-STQMWFEESA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCC[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375384864 134239285 /nfs/dbraw/zinc/23/92/85/134239285.db2.gz SDGXTTRDVGNAGP-UHFFFAOYSA-N 1 0 219.332 2.474 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000610605152 358011370 /nfs/dbraw/zinc/01/13/70/358011370.db2.gz NRQHWTJRRHJLFP-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1 ZINC000375736458 134240371 /nfs/dbraw/zinc/24/03/71/134240371.db2.gz NWEJIEXACUVMGQ-MRXNPFEDSA-N 1 0 241.334 2.280 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640000350 358036761 /nfs/dbraw/zinc/03/67/61/358036761.db2.gz NGZJGEFEGWKOTB-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640000351 358036811 /nfs/dbraw/zinc/03/68/11/358036811.db2.gz NGZJGEFEGWKOTB-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)COc1ccccc1C ZINC000305834736 134243064 /nfs/dbraw/zinc/24/30/64/134243064.db2.gz WNUAAYTXFPNTQD-AWEZNQCLSA-N 1 0 249.354 2.243 20 30 BEEDRO C=C(C)COCCNc1cc[nH+]cc1C ZINC000168790845 134247567 /nfs/dbraw/zinc/24/75/67/134247567.db2.gz NRKHZDWFYUTHDY-UHFFFAOYSA-N 1 0 206.289 2.395 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(C)s1 ZINC000262022954 535389776 /nfs/dbraw/zinc/38/97/76/535389776.db2.gz YKUMIJZXDJTHSU-UHFFFAOYSA-N 1 0 225.361 2.213 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCOC(C)(C)C ZINC000610681262 358061989 /nfs/dbraw/zinc/06/19/89/358061989.db2.gz FXQMGRMARBAOSJ-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@@H](C)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610675553 358062993 /nfs/dbraw/zinc/06/29/93/358062993.db2.gz GACHZLZZKRMNTG-ZIAGYGMSSA-N 1 0 237.391 2.198 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@@]1(C)C(C)C ZINC000263147490 535391574 /nfs/dbraw/zinc/39/15/74/535391574.db2.gz OZOQOPSAJOSUFO-JQWIXIFHSA-N 1 0 211.353 2.078 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCOC(C)(C)C ZINC000610728917 358129142 /nfs/dbraw/zinc/12/91/42/358129142.db2.gz VSXSVLFKYUUAOU-LLVKDONJSA-N 1 0 212.337 2.426 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000640044491 358130004 /nfs/dbraw/zinc/13/00/04/358130004.db2.gz UMPBBUGIPHIPBM-VHSXEESVSA-N 1 0 237.265 2.055 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@H]1CO ZINC000248893858 358134946 /nfs/dbraw/zinc/13/49/46/358134946.db2.gz GFEWAZHZTXDGPN-XHDPSFHLSA-N 1 0 244.338 2.069 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248883850 358116718 /nfs/dbraw/zinc/11/67/18/358116718.db2.gz LNEKSWZJJNWXNT-KWCYVHTRSA-N 1 0 238.375 2.455 20 30 BEEDRO COC(=O)C[N@H+](CCCCC#N)C1CCCC1 ZINC000134244784 325350406 /nfs/dbraw/zinc/35/04/06/325350406.db2.gz SHFGBBKOFIRNJX-UHFFFAOYSA-N 1 0 238.331 2.098 20 30 BEEDRO Cc1ccc([C@@H](C)[NH2+]C2CCN(CC#N)CC2)o1 ZINC000610813446 358189857 /nfs/dbraw/zinc/18/98/57/358189857.db2.gz HQFMGGQFUDHTMW-GFCCVEGCSA-N 1 0 247.342 2.227 20 30 BEEDRO CC[C@H]1CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813575 358189744 /nfs/dbraw/zinc/18/97/44/358189744.db2.gz LFBAZOKBNWCDJJ-GXTWGEPZSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCOC1 ZINC000450724060 202246206 /nfs/dbraw/zinc/24/62/06/202246206.db2.gz LCFKOHSZAIDJQY-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450765390 202259080 /nfs/dbraw/zinc/25/90/80/202259080.db2.gz RFTCBVDKJLWATI-TZMCWYRMSA-N 1 0 219.328 2.269 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450765389 202257914 /nfs/dbraw/zinc/25/79/14/202257914.db2.gz RFTCBVDKJLWATI-OCCSQVGLSA-N 1 0 219.328 2.269 20 30 BEEDRO CCNC(=[NH2+])NCc1c(C)oc2ccccc21 ZINC000274350204 535423465 /nfs/dbraw/zinc/42/34/65/535423465.db2.gz RXMQSLXTQWRKMX-UHFFFAOYSA-N 1 0 231.299 2.165 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](c1ccccc1)C(C)C ZINC000264076455 535423559 /nfs/dbraw/zinc/42/35/59/535423559.db2.gz FXGRVQXEPIGSHN-CYBMUJFWSA-N 1 0 233.359 2.350 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC(C)(C)[NH+](C)C ZINC000134909014 325382331 /nfs/dbraw/zinc/38/23/31/325382331.db2.gz BNELKPNOHDVOLD-CYBMUJFWSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)CCN(CCC#N)C[C@H]1CCCO1 ZINC000173541546 134275629 /nfs/dbraw/zinc/27/56/29/134275629.db2.gz RKMAWOVBUYIVQJ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO CCNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000264064074 535423124 /nfs/dbraw/zinc/42/31/24/535423124.db2.gz AOVDBUGEUJVNTI-GFCCVEGCSA-N 1 0 231.343 2.031 20 30 BEEDRO CCNC(=[NH2+])NCc1cccc(OCC(C)C)c1 ZINC000264086388 535424097 /nfs/dbraw/zinc/42/40/97/535424097.db2.gz JOKOHRSVJJTEGV-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)CC)cc1 ZINC000124476600 358517565 /nfs/dbraw/zinc/51/75/65/358517565.db2.gz ZPHZYWPOTFAWDK-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CCC[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000610970004 358416193 /nfs/dbraw/zinc/41/61/93/358416193.db2.gz GQGGERPBRNTJLT-OAHLLOKOSA-N 1 0 247.386 2.309 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000127514537 358563397 /nfs/dbraw/zinc/56/33/97/358563397.db2.gz RCCXQNNOUNLTFM-NEPJUHHUSA-N 1 0 240.416 2.120 20 30 BEEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000128473605 358576391 /nfs/dbraw/zinc/57/63/91/358576391.db2.gz IHEOABDDXYHRDO-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCC[C@@H](O)C[NH+](CC1CC1)CC1CC1 ZINC000129187895 358583598 /nfs/dbraw/zinc/58/35/98/358583598.db2.gz ANKPPPPPBLGMNY-CQSZACIVSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000124817486 358528815 /nfs/dbraw/zinc/52/88/15/358528815.db2.gz LZJKDWUEUVBRDO-CYBMUJFWSA-N 1 0 223.360 2.434 20 30 BEEDRO CC[NH+](CC)CCN(CCC#N)CC(C)C ZINC000043419699 358537893 /nfs/dbraw/zinc/53/78/93/358537893.db2.gz FNFHXHPIACXSJY-UHFFFAOYSA-N 1 0 225.380 2.200 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000130548248 358631491 /nfs/dbraw/zinc/63/14/91/358631491.db2.gz VECMODYWOFMKFJ-GFCCVEGCSA-N 1 0 246.354 2.491 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CC[S@@](C)=O)C1CC1 ZINC000130613677 358637525 /nfs/dbraw/zinc/63/75/25/358637525.db2.gz YRSFBPWQCHNKHS-RBOXIYTFSA-N 1 0 243.416 2.478 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353235623 358584505 /nfs/dbraw/zinc/58/45/05/358584505.db2.gz CBKWQPZXBJRZCA-CABCVRRESA-N 1 0 244.338 2.152 20 30 BEEDRO C[C@H](CC[S@](C)=O)[NH2+]CC(C)(C)CCC#N ZINC000131283875 358667458 /nfs/dbraw/zinc/66/74/58/358667458.db2.gz GHUVWSIGPBUBQQ-BDJLRTHQSA-N 1 0 244.404 2.063 20 30 BEEDRO CC#CCC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359865197 358705861 /nfs/dbraw/zinc/70/58/61/358705861.db2.gz FRSVPMIAVULCDW-OLZOCXBDSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)CC(CC)CC ZINC000051824694 358764462 /nfs/dbraw/zinc/76/44/62/358764462.db2.gz AGVIBDTYJZNTKU-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613666240 363616603 /nfs/dbraw/zinc/61/66/03/363616603.db2.gz MHNXXOPQIFXLQP-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO CCOC(=O)CCCC[N@H+](CC)C[C@@H](C)C#N ZINC000132600032 358728162 /nfs/dbraw/zinc/72/81/62/358728162.db2.gz FYHLRKGUSVTZSF-LBPRGKRZSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(C)c(OC)c1 ZINC000578230509 366461529 /nfs/dbraw/zinc/46/15/29/366461529.db2.gz AZESDBDOEXHTDX-CQSZACIVSA-N 1 0 249.354 2.278 20 30 BEEDRO C=CCNC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000052877099 358791531 /nfs/dbraw/zinc/79/15/31/358791531.db2.gz QFQGVLNFHKYRQK-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](C)N1C ZINC000135270032 358828258 /nfs/dbraw/zinc/82/82/58/358828258.db2.gz BQDNILBHRRXUSU-BETUJISGSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cscc1Cl ZINC000308551180 491137084 /nfs/dbraw/zinc/13/70/84/491137084.db2.gz XKMVWHYIFYGONB-VIFPVBQESA-N 1 0 231.748 2.428 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cscc1Cl ZINC000308551179 491137103 /nfs/dbraw/zinc/13/71/03/491137103.db2.gz XKMVWHYIFYGONB-SECBINFHSA-N 1 0 231.748 2.428 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccoc2)CC1 ZINC000055059855 358881666 /nfs/dbraw/zinc/88/16/66/358881666.db2.gz LJDRQEANMOHMGV-UHFFFAOYSA-N 1 0 248.326 2.004 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCSCC#N)[C@@H]1C ZINC000177902043 134301826 /nfs/dbraw/zinc/30/18/26/134301826.db2.gz ZUGMPUOQCDZVOW-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000071301494 359076185 /nfs/dbraw/zinc/07/61/85/359076185.db2.gz UHWTUAOUMPIRFG-CQSZACIVSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCC ZINC000072775127 359090074 /nfs/dbraw/zinc/09/00/74/359090074.db2.gz IKGXLNXYQGSYLS-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322124 192706970 /nfs/dbraw/zinc/70/69/70/192706970.db2.gz NPHHMVBAPYTKAF-YMTOWFKASA-N 1 0 247.317 2.085 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCC)C1 ZINC000246633023 359152844 /nfs/dbraw/zinc/15/28/44/359152844.db2.gz SYMVBMGDPUKREV-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246737059 359159525 /nfs/dbraw/zinc/15/95/25/359159525.db2.gz YRICCXYUSZTIEQ-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)nn1C ZINC000284119981 359284758 /nfs/dbraw/zinc/28/47/58/359284758.db2.gz CNIHBEKTSLYXON-JQWIXIFHSA-N 1 0 221.348 2.419 20 30 BEEDRO C[C@H]1COCCC[N@@H+]1CC(C)(C)CCC#N ZINC000611272404 359286267 /nfs/dbraw/zinc/28/62/67/359286267.db2.gz HEMZYQVSWFYFKQ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](N(CC)CC)C1 ZINC000076059236 359272696 /nfs/dbraw/zinc/27/26/96/359272696.db2.gz AANMJLHONIMLRD-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CCN(CCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000611253922 359275003 /nfs/dbraw/zinc/27/50/03/359275003.db2.gz WWZHXGBSVJXTGY-UHFFFAOYSA-N 1 0 245.370 2.484 20 30 BEEDRO C[C@H]1CCC[C@H](C[NH2+]C2CCN(CC#N)CC2)C1 ZINC000611257707 359275169 /nfs/dbraw/zinc/27/51/69/359275169.db2.gz AOXISYQHOLNEEL-KBPBESRZSA-N 1 0 249.402 2.390 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(C=C)c1)C(C)(C)C ZINC000290010124 359281357 /nfs/dbraw/zinc/28/13/57/359281357.db2.gz DPWMZUSXNNUBEF-GFCCVEGCSA-N 1 0 217.316 2.121 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000611387903 359358059 /nfs/dbraw/zinc/35/80/59/359358059.db2.gz HOTZPQYMDTYHLJ-SMDDNHRTSA-N 1 0 230.311 2.146 20 30 BEEDRO CC[C@H](CO)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611390374 359358317 /nfs/dbraw/zinc/35/83/17/359358317.db2.gz WTQXJQIXOARMRQ-HIFRSBDPSA-N 1 0 244.338 2.296 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CO)CC2)cc1 ZINC000292975157 359377565 /nfs/dbraw/zinc/37/75/65/359377565.db2.gz AWKWKWZFEIKGBG-HNNXBMFYSA-N 1 0 244.338 2.153 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](Cn1cccn1)C(C)C ZINC000284926129 359320094 /nfs/dbraw/zinc/32/00/94/359320094.db2.gz DHPYHSWMCDOSEN-LLVKDONJSA-N 1 0 227.739 2.250 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1c(F)cncc1F ZINC000285766573 359327065 /nfs/dbraw/zinc/32/70/65/359327065.db2.gz RUOFKGAXBXBYGP-SECBINFHSA-N 1 0 224.254 2.424 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000611370633 359353513 /nfs/dbraw/zinc/35/35/13/359353513.db2.gz OHWLMDYDBNFRSY-ZDUSSCGKSA-N 1 0 244.342 2.014 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCCC[C@H]1C(=O)OC ZINC000611575545 359396756 /nfs/dbraw/zinc/39/67/56/359396756.db2.gz QWADWDNXTGTGNJ-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1cccs1 ZINC000308930637 491140459 /nfs/dbraw/zinc/14/04/59/491140459.db2.gz FFJRBACFKBEGAD-WDEREUQCSA-N 1 0 225.357 2.206 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)O ZINC000293011592 359468413 /nfs/dbraw/zinc/46/84/13/359468413.db2.gz OBIFNMXPGRQFCM-CYBMUJFWSA-N 1 0 232.327 2.197 20 30 BEEDRO CC[NH+](CC)CCCNc1cc(C#N)cc(C)n1 ZINC000160949733 359504912 /nfs/dbraw/zinc/50/49/12/359504912.db2.gz OQIGUSNBXWRENC-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C#CC[N@H+](CCc1ccc2c(c1)CCO2)C1CC1 ZINC000274127151 359510777 /nfs/dbraw/zinc/51/07/77/359510777.db2.gz HUNPUJIQJNSRRU-UHFFFAOYSA-N 1 0 241.334 2.262 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(NC(C)=O)c1)C1CC1 ZINC000274122190 359511911 /nfs/dbraw/zinc/51/19/11/359511911.db2.gz GXRVOEVTBGZLCG-UHFFFAOYSA-N 1 0 242.322 2.243 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)C1CCCCC1 ZINC000308983437 491141843 /nfs/dbraw/zinc/14/18/43/491141843.db2.gz IXTURTCQUZLMIU-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1ccnc(NC[C@H](C2CC2)[NH+](C)C)c1C#N ZINC000612077984 359636006 /nfs/dbraw/zinc/63/60/06/359636006.db2.gz YUSBHKSODAAHMS-CYBMUJFWSA-N 1 0 244.342 2.014 20 30 BEEDRO COc1ccnc(CN2CCC[C@@](C)(C#N)C2)c1 ZINC000612161813 359712397 /nfs/dbraw/zinc/71/23/97/359712397.db2.gz ISKUFDGJWZMZSO-AWEZNQCLSA-N 1 0 245.326 2.216 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@@](C)(C#N)C1 ZINC000612163682 359716130 /nfs/dbraw/zinc/71/61/30/359716130.db2.gz YWIMABPWRHBUER-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO CN(C)c1cc[nH+]c(NCc2ccc(C#N)o2)c1 ZINC000612199194 359731495 /nfs/dbraw/zinc/73/14/95/359731495.db2.gz PGRGEMRIJUXFDR-UHFFFAOYSA-N 1 0 242.282 2.224 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000450858333 202292395 /nfs/dbraw/zinc/29/23/95/202292395.db2.gz KTQDRKSIUPODSH-UPJWGTAASA-N 1 0 246.354 2.227 20 30 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N#C[C@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726982 201130107 /nfs/dbraw/zinc/13/01/07/201130107.db2.gz RKXHTYXHBIPXNU-DZGCQCFKSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(C)Cn1cc(C[NH2+]CC2(CC#N)CC2)cn1 ZINC000430003692 201138354 /nfs/dbraw/zinc/13/83/54/201138354.db2.gz JGYOWLNZFGKNKF-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000430032673 201138366 /nfs/dbraw/zinc/13/83/66/201138366.db2.gz CYKDDYJJTVFUSI-CHWSQXEVSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)n1cc(C[NH2+]CC2(CC#N)CC2)cn1 ZINC000430036480 201139196 /nfs/dbraw/zinc/13/91/96/201139196.db2.gz FEUTYEVUKVVHQM-UHFFFAOYSA-N 1 0 232.331 2.247 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+]CC2(CC#N)CC2)CCO1 ZINC000430035579 201139459 /nfs/dbraw/zinc/13/94/59/201139459.db2.gz NEOBPVLAKRQBML-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)COCC(C)C ZINC000629589115 361476134 /nfs/dbraw/zinc/47/61/34/361476134.db2.gz RSGGIGBBNCTMRZ-CYBMUJFWSA-N 1 0 243.391 2.212 20 30 BEEDRO 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C=CC[N@@H+](C)Cc1ccccc1NC(C)=O ZINC000154793585 201298598 /nfs/dbraw/zinc/29/85/98/201298598.db2.gz GOGDCMJCDLDMHV-UHFFFAOYSA-N 1 0 218.300 2.263 20 30 BEEDRO CC(C)C[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000037108533 361669084 /nfs/dbraw/zinc/66/90/84/361669084.db2.gz GZPCQMFZNKLQOW-UHFFFAOYSA-N 1 0 245.326 2.085 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000155750703 201350439 /nfs/dbraw/zinc/35/04/39/201350439.db2.gz WTYRCVSNAHHDAQ-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)Cc1cn[nH]c1 ZINC000614403853 363806708 /nfs/dbraw/zinc/80/67/08/363806708.db2.gz SBVTXPSMHDPWKF-UHFFFAOYSA-N 1 0 240.310 2.222 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CCc2cccc(C)c2C1 ZINC000619722604 363951496 /nfs/dbraw/zinc/95/14/96/363951496.db2.gz XUYHTDRGOAKPNP-CQSZACIVSA-N 1 0 245.322 2.081 20 30 BEEDRO C=C(C)C[NH2+]Cc1cncc(OC)c1C ZINC000631131822 364030924 /nfs/dbraw/zinc/03/09/24/364030924.db2.gz QQXBLHYCCRDTFU-UHFFFAOYSA-N 1 0 206.289 2.064 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCCC1=CCCC1 ZINC000133892751 364376747 /nfs/dbraw/zinc/37/67/47/364376747.db2.gz LPPCWIQMIIJKES-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000579503606 366836380 /nfs/dbraw/zinc/83/63/80/366836380.db2.gz BQZKDIRJMPXFFG-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000135534782 364444131 /nfs/dbraw/zinc/44/41/31/364444131.db2.gz CCCFCDRQTDKTGZ-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453217569 202709778 /nfs/dbraw/zinc/70/97/78/202709778.db2.gz PGDJCNMJZLQKHX-RYUDHWBXSA-N 1 0 219.332 2.352 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCN1CC=CCC1 ZINC000355488621 366832054 /nfs/dbraw/zinc/83/20/54/366832054.db2.gz VKMAAQOWDDEVMB-UHFFFAOYSA-N 1 0 235.375 2.168 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001642120453 1172321681 /nfs/dbraw/zinc/32/16/81/1172321681.db2.gz NILZTSDOLXHCIM-CHWSQXEVSA-N 1 0 231.343 2.391 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000253199005 364685367 /nfs/dbraw/zinc/68/53/67/364685367.db2.gz AKJNZNIZLQLRKA-OLZOCXBDSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000433007953 192974050 /nfs/dbraw/zinc/97/40/50/192974050.db2.gz BQFGONXBAPHNTH-RDBSUJKOSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000574459970 365067494 /nfs/dbraw/zinc/06/74/94/365067494.db2.gz ORMCKIKXVOGNHB-LBPRGKRZSA-N 1 0 246.354 2.364 20 30 BEEDRO CC#CCCn1c(C)[nH+]c2c1CCCC2 ZINC000168849482 365018292 /nfs/dbraw/zinc/01/82/92/365018292.db2.gz UASUBKTWCKRUJB-UHFFFAOYSA-N 1 0 202.301 2.484 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000574248191 365018738 /nfs/dbraw/zinc/01/87/38/365018738.db2.gz VLPBFCMHEIDCMW-RISCZKNCSA-N 1 0 217.378 2.042 20 30 BEEDRO CCCCN(C)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000574324158 365037381 /nfs/dbraw/zinc/03/73/81/365037381.db2.gz HDFWANIVLHUQSO-HZSPNIEDSA-N 1 0 237.391 2.389 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOCc2ccccc2)C1 ZINC000442792788 192991552 /nfs/dbraw/zinc/99/15/52/192991552.db2.gz QXZQUEWMYAMZJV-GJZGRUSLSA-N 1 0 244.338 2.485 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CC(C)(C#N)C1 ZINC000574650147 365112510 /nfs/dbraw/zinc/11/25/10/365112510.db2.gz PNZREDHLZAWBOB-CYBMUJFWSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(O)CCC1 ZINC000442905157 193003928 /nfs/dbraw/zinc/00/39/28/193003928.db2.gz VHDVXPKQFWKTCR-GFCCVEGCSA-N 1 0 244.338 2.466 20 30 BEEDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443963380 193031458 /nfs/dbraw/zinc/03/14/58/193031458.db2.gz HTOJPMXIQQPFNO-AWEZNQCLSA-N 1 0 232.327 2.117 20 30 BEEDRO C=CC1CC[NH+](CC2CCOCC2)CC1 ZINC000171829596 365245789 /nfs/dbraw/zinc/24/57/89/365245789.db2.gz KICPPGWVQOYHTC-UHFFFAOYSA-N 1 0 209.333 2.311 20 30 BEEDRO CCC(CC)(CCO)[NH2+]CCC(C)(C)C#N ZINC000336674011 365349236 /nfs/dbraw/zinc/34/92/36/365349236.db2.gz BDISQRIOTKVMEL-UHFFFAOYSA-N 1 0 226.364 2.457 20 30 BEEDRO C=CCCC[NH2+]Cc1nc(C#N)cs1 ZINC000336695556 365359277 /nfs/dbraw/zinc/35/92/77/365359277.db2.gz SQRXMDYNKDOMDL-UHFFFAOYSA-N 1 0 207.302 2.071 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(F)ccc1OC ZINC000336713355 365361207 /nfs/dbraw/zinc/36/12/07/365361207.db2.gz VLNPITXBFKKHDY-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO COCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000336722062 365361371 /nfs/dbraw/zinc/36/13/71/365361371.db2.gz AIWXEPURLFOYQF-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO COCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000336722066 365362433 /nfs/dbraw/zinc/36/24/33/365362433.db2.gz AIWXEPURLFOYQF-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO CC[C@@H](C)[N@@H+](CC#Cc1ccccc1)CCO ZINC000336724033 365363655 /nfs/dbraw/zinc/36/36/55/365363655.db2.gz ZBXJLXOBFNDMIO-CQSZACIVSA-N 1 0 231.339 2.131 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CCOCCC#N)[C@H](C)C1 ZINC000339098622 365448959 /nfs/dbraw/zinc/44/89/59/365448959.db2.gz ZLIXPXKTOHBIPF-UPJWGTAASA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@H]1CCCC[C@H]1[NH2+]CCOCCC#N ZINC000339096039 365449050 /nfs/dbraw/zinc/44/90/50/365449050.db2.gz HCGGQOUOFXNCOV-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)C1CCCCC1 ZINC000576119949 365492885 /nfs/dbraw/zinc/49/28/85/365492885.db2.gz XQKWCABXXPTKLB-OLZOCXBDSA-N 1 0 224.348 2.209 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cn1)[C@@H]1CC1(C)C ZINC000579607682 366905141 /nfs/dbraw/zinc/90/51/41/366905141.db2.gz PXAJHXROQSVQQN-GFCCVEGCSA-N 1 0 215.300 2.184 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc2[nH]cnc2c1 ZINC000579785285 367005566 /nfs/dbraw/zinc/00/55/66/367005566.db2.gz IBLUBJBXPZBKRX-UHFFFAOYSA-N 1 0 245.326 2.197 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183306307 367014227 /nfs/dbraw/zinc/01/42/27/367014227.db2.gz DKRVMROGNSXOCR-ZDUSSCGKSA-N 1 0 249.354 2.422 20 30 BEEDRO N#CCCCC[N@@H+]1CCOCC12CCCC2 ZINC000367175805 367080861 /nfs/dbraw/zinc/08/08/61/367080861.db2.gz BIUHMRMVAIYXJA-UHFFFAOYSA-N 1 0 222.332 2.325 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000579914103 367077528 /nfs/dbraw/zinc/07/75/28/367077528.db2.gz QKORDRTWPWPAKO-UHFFFAOYSA-N 1 0 246.358 2.133 20 30 BEEDRO Cc1oncc1CN(C)Cc1cccc(C#N)c1 ZINC000185156431 367121829 /nfs/dbraw/zinc/12/18/29/367121829.db2.gz UVACROXJMNQRCR-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000068765359 370844006 /nfs/dbraw/zinc/84/40/06/370844006.db2.gz GCOYFDOCIWQOMB-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CCCC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765465 370844035 /nfs/dbraw/zinc/84/40/35/370844035.db2.gz FAKQUZRWROWFGA-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cncnc1C ZINC000581320637 367347003 /nfs/dbraw/zinc/34/70/03/367347003.db2.gz JYEVAQMUJMCRAD-SNVBAGLBSA-N 1 0 205.305 2.402 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@](C(=O)OCC)(C(C)C)C1 ZINC000194854868 367323853 /nfs/dbraw/zinc/32/38/53/367323853.db2.gz GCSXSBRNVOKYDX-CQSZACIVSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000382589200 367546646 /nfs/dbraw/zinc/54/66/46/367546646.db2.gz YGSBZLJMMRSXQT-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CC1CC(F)(F)C1 ZINC000383252011 367608999 /nfs/dbraw/zinc/60/89/99/367608999.db2.gz WMEVMEPQUABVBH-MRVPVSSYSA-N 1 0 202.248 2.266 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000384849790 367742605 /nfs/dbraw/zinc/74/26/05/367742605.db2.gz LAPFDFNWINPSNT-STQMWFEESA-N 1 0 222.376 2.415 20 30 BEEDRO C[N@H+](CCCCO)CCCCC(C)(C)C#N ZINC000384853811 367744485 /nfs/dbraw/zinc/74/44/85/367744485.db2.gz CLQYDIZHWDXDLJ-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccncc1C)C(C)C ZINC000385076029 367784279 /nfs/dbraw/zinc/78/42/79/367784279.db2.gz XOFKTLUEAKHMBN-ZDUSSCGKSA-N 1 0 202.301 2.137 20 30 BEEDRO C=Cc1ccc(CC[NH2+]CCC#N)cc1 ZINC000581722034 367784659 /nfs/dbraw/zinc/78/46/59/367784659.db2.gz CKXVCTRVEHTJAI-UHFFFAOYSA-N 1 0 200.285 2.375 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000386055241 367905006 /nfs/dbraw/zinc/90/50/06/367905006.db2.gz AGBLJURJRDSKRW-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO CO[C@@H](C)C[N@H+](Cc1ccc(C#N)cn1)C(C)C ZINC000581891836 367880826 /nfs/dbraw/zinc/88/08/26/367880826.db2.gz CIZURSPSMJKOAV-LBPRGKRZSA-N 1 0 247.342 2.199 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CCC12CCOCC2 ZINC000581930885 367955061 /nfs/dbraw/zinc/95/50/61/367955061.db2.gz AMBBDZGUMARWKO-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000386823127 368025842 /nfs/dbraw/zinc/02/58/42/368025842.db2.gz ULJKFBPBPQVGAA-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000386835182 368025950 /nfs/dbraw/zinc/02/59/50/368025950.db2.gz INOTTYYHOJHTFX-QWRGUYRKSA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000387312831 368150934 /nfs/dbraw/zinc/15/09/34/368150934.db2.gz BPKKQJWIYDORCC-IJLUTSLNSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387478807 368231611 /nfs/dbraw/zinc/23/16/11/368231611.db2.gz CDRGGFOHRXLMBY-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000615798539 368322536 /nfs/dbraw/zinc/32/25/36/368322536.db2.gz BKWCWMQIDUKXRU-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1c1ccc(OC)cc1OC ZINC000061799242 368571359 /nfs/dbraw/zinc/57/13/59/368571359.db2.gz ZMMRHANXGCAQDO-AWEZNQCLSA-N 1 0 245.322 2.474 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000061800149 368571911 /nfs/dbraw/zinc/57/19/11/368571911.db2.gz XPUHFDSXTRTUND-UHFFFAOYSA-N 1 0 205.257 2.033 20 30 BEEDRO N#CCCN[C@H]1COc2ccc(Cl)cc21 ZINC000567104623 326116578 /nfs/dbraw/zinc/11/65/78/326116578.db2.gz WVRHXFRHUDDSCR-JTQLQIEISA-N 1 0 222.675 2.277 20 30 BEEDRO CCC(N)=[NH+]OCc1cccc([N+](=O)[O-])c1C ZINC000067385506 368686575 /nfs/dbraw/zinc/68/65/75/368686575.db2.gz RQGKPEKSQIGZQN-UHFFFAOYSA-N 1 0 237.259 2.102 20 30 BEEDRO C=CC[N@H+](CCn1cncn1)CC1CCCCC1 ZINC000069860263 368759307 /nfs/dbraw/zinc/75/93/07/368759307.db2.gz YVMSHOBEHDKQSK-UHFFFAOYSA-N 1 0 248.374 2.346 20 30 BEEDRO N#CCCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069076693 368744558 /nfs/dbraw/zinc/74/45/58/368744558.db2.gz NPZHIHYFBLCXJE-CQSZACIVSA-N 1 0 235.375 2.240 20 30 BEEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000074287542 368836005 /nfs/dbraw/zinc/83/60/05/368836005.db2.gz BLMAGIREBPFTMS-CHWSQXEVSA-N 1 0 224.348 2.306 20 30 BEEDRO CC1CCC(O)(C[NH2+]CCCCC#N)CC1 ZINC000083468931 368779873 /nfs/dbraw/zinc/77/98/73/368779873.db2.gz WYOVJYPLZPRMIG-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO COCC[N@H+](CCCC#N)C1CCCC1 ZINC000052607515 368937144 /nfs/dbraw/zinc/93/71/44/368937144.db2.gz RJOWIWGPMCQUEP-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CCOC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000616176500 369008188 /nfs/dbraw/zinc/00/81/88/369008188.db2.gz QRBWWDXIMBUVBY-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1CCN(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000618569894 369175336 /nfs/dbraw/zinc/17/53/36/369175336.db2.gz FIANVFLVJUTUHX-MCIONIFRSA-N 1 0 235.375 2.000 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618741746 369207263 /nfs/dbraw/zinc/20/72/63/369207263.db2.gz IAVHNEIUSNAWAC-IINYFYTJSA-N 1 0 230.311 2.170 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618741750 369207798 /nfs/dbraw/zinc/20/77/98/369207798.db2.gz IAVHNEIUSNAWAC-YGRLFVJLSA-N 1 0 230.311 2.170 20 30 BEEDRO Cc1cc(C[N@H+](C)C[C@H](O)C2CC2)ccc1C#N ZINC000618749492 369208663 /nfs/dbraw/zinc/20/86/63/369208663.db2.gz JNHHWDURVVZZBZ-HNNXBMFYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000618820096 369222057 /nfs/dbraw/zinc/22/20/57/369222057.db2.gz ZZNDSEBCAJZLCU-NEPJUHHUSA-N 1 0 224.373 2.365 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)C1 ZINC000618903899 369236701 /nfs/dbraw/zinc/23/67/01/369236701.db2.gz FIOLQFJIOXXFPJ-JHJVBQTASA-N 1 0 244.342 2.281 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000618903923 369236886 /nfs/dbraw/zinc/23/68/86/369236886.db2.gz MBVHJDHMCALNIS-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO C=C(C)C[N@H+](C)CCn1cc(Cl)cn1 ZINC000459392671 203274697 /nfs/dbraw/zinc/27/46/97/203274697.db2.gz DNORXHTWNKHDQR-UHFFFAOYSA-N 1 0 213.712 2.044 20 30 BEEDRO C=C(CC)C[N@@H+]1[C@H](C)CN(CC)C[C@@H]1C ZINC000459474930 203288437 /nfs/dbraw/zinc/28/84/37/203288437.db2.gz ZYCHWXGZZBAQPT-BETUJISGSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459512616 203293710 /nfs/dbraw/zinc/29/37/10/203293710.db2.gz ZCPGVILJEMVBRH-UHFFFAOYSA-N 1 0 217.316 2.410 20 30 BEEDRO Cc1cc(C[NH2+]CCc2cccc(C#N)c2)no1 ZINC000459531387 203295971 /nfs/dbraw/zinc/29/59/71/203295971.db2.gz MDGUWPOGEOROHU-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C=CCN1CCc2c(cccc2C(=O)OC)C1 ZINC000459531563 203296468 /nfs/dbraw/zinc/29/64/68/203296468.db2.gz CQUJEYDJEIDMQQ-UHFFFAOYSA-N 1 0 231.295 2.017 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)on1 ZINC000459548342 203298979 /nfs/dbraw/zinc/29/89/79/203298979.db2.gz XWHVVKLSTLGKBM-DGCLKSJQSA-N 1 0 236.315 2.054 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CCCCO1 ZINC000405118998 369446335 /nfs/dbraw/zinc/44/63/35/369446335.db2.gz GYOQDFSJPOVXIT-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000459651391 203330592 /nfs/dbraw/zinc/33/05/92/203330592.db2.gz VDXVIWRPSWMYTE-TXEJJXNPSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(C)[C@H](O)CN1Cc2cccc(C#N)c2C1 ZINC000405068455 369442602 /nfs/dbraw/zinc/44/26/02/369442602.db2.gz ZOZAIGYALKAABH-CQSZACIVSA-N 1 0 244.338 2.281 20 30 BEEDRO C=CCOCCN1Cc2cccc(C#N)c2C1 ZINC000405052743 369442840 /nfs/dbraw/zinc/44/28/40/369442840.db2.gz CMRDKTWJBDHSLJ-UHFFFAOYSA-N 1 0 228.295 2.076 20 30 BEEDRO N#CCCCN1Cc2cccc(C#N)c2C1 ZINC000405041711 369443371 /nfs/dbraw/zinc/44/33/71/369443371.db2.gz CGOHRHOOFORPKM-UHFFFAOYSA-N 1 0 211.268 2.178 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1 ZINC000230668765 369453298 /nfs/dbraw/zinc/45/32/98/369453298.db2.gz BIHUQTAPSMGNGS-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H]1COCC ZINC000459717616 203339591 /nfs/dbraw/zinc/33/95/91/203339591.db2.gz QTXPHEOXSMXFJR-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO Cc1ccc(C[NH2+]CC(C)(C)CC#N)nc1 ZINC000459726338 203341835 /nfs/dbraw/zinc/34/18/35/203341835.db2.gz FBHGIDOQECYSKF-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CN1C1CC1 ZINC000459726762 203343246 /nfs/dbraw/zinc/34/32/46/203343246.db2.gz FNIUBJKASYTBLG-NWDGAFQWSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCOC1 ZINC000459730449 203343607 /nfs/dbraw/zinc/34/36/07/203343607.db2.gz MIVSIDZCTZTPKH-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(C#N)o1 ZINC000459730457 203344113 /nfs/dbraw/zinc/34/41/13/203344113.db2.gz MNXUXTUDROPWLO-UHFFFAOYSA-N 1 0 217.272 2.181 20 30 BEEDRO Cc1noc(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000259934818 370956417 /nfs/dbraw/zinc/95/64/17/370956417.db2.gz HVNVRRQQZYAZOY-GFCCVEGCSA-N 1 0 233.315 2.417 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000259966009 370957013 /nfs/dbraw/zinc/95/70/13/370957013.db2.gz JSCZUZHZILQBEX-OLZOCXBDSA-N 1 0 222.332 2.039 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000619568606 369481737 /nfs/dbraw/zinc/48/17/37/369481737.db2.gz GECUGHPBQNWOIB-CHWSQXEVSA-N 1 0 224.348 2.285 20 30 BEEDRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000260099061 370973784 /nfs/dbraw/zinc/97/37/84/370973784.db2.gz PWWGLBYWNLWIPU-GFCCVEGCSA-N 1 0 232.331 2.152 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459759066 203359365 /nfs/dbraw/zinc/35/93/65/203359365.db2.gz LSNIJPAZSWMOQB-NJMOYASZSA-N 1 0 204.317 2.457 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763302 203360134 /nfs/dbraw/zinc/36/01/34/203360134.db2.gz CCFDHBICWIXDHY-NDBYEHHHSA-N 1 0 217.316 2.208 20 30 BEEDRO CCC1(O)CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672971 369521424 /nfs/dbraw/zinc/52/14/24/369521424.db2.gz SVHDGQAYQQJKLB-ZIHBUVQPSA-N 1 0 236.359 2.352 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]CC1CCC(C#N)CC1 ZINC000619673643 369522683 /nfs/dbraw/zinc/52/26/83/369522683.db2.gz ONPAQGVCZRDNBG-HSBZDZAISA-N 1 0 238.375 2.457 20 30 BEEDRO CCC[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000619719889 369550296 /nfs/dbraw/zinc/55/02/96/369550296.db2.gz KJISQTKFPLGSTA-ZIAGYGMSSA-N 1 0 237.391 2.341 20 30 BEEDRO CCC[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000619719888 369550361 /nfs/dbraw/zinc/55/03/61/369550361.db2.gz KJISQTKFPLGSTA-UONOGXRCSA-N 1 0 237.391 2.341 20 30 BEEDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(C#N)cc1 ZINC000600711528 369559887 /nfs/dbraw/zinc/55/98/87/369559887.db2.gz UWEBNNHAUCGLTR-BYCMXARLSA-N 1 0 243.354 2.349 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@@H]1O)CC2 ZINC000601304065 369620364 /nfs/dbraw/zinc/62/03/64/369620364.db2.gz JROUUUXTFQBPRO-KKUMJFAQSA-N 1 0 242.322 2.049 20 30 BEEDRO N#Cc1csc(C[NH2+][C@]23C[C@H]2CCCC3)n1 ZINC000601149842 369596836 /nfs/dbraw/zinc/59/68/36/369596836.db2.gz QODYFQIGLDZGTL-BXKDBHETSA-N 1 0 233.340 2.437 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000619896891 369628226 /nfs/dbraw/zinc/62/82/26/369628226.db2.gz APBDGAPDKZUXIM-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619905248 369635586 /nfs/dbraw/zinc/63/55/86/369635586.db2.gz VXJYPRQAZFEWNR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@@H+]1CCCC[C@H]1CNc1cccnc1C#N ZINC000274068544 369638581 /nfs/dbraw/zinc/63/85/81/369638581.db2.gz PORRPYRJHCGGKM-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@]1([NH2+]Cc2cccc(F)c2C#N)CCCOC1 ZINC000602014130 369737124 /nfs/dbraw/zinc/73/71/24/369737124.db2.gz BOOGYCUMERLPHC-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CC1=CCOCC1 ZINC000602026478 369738471 /nfs/dbraw/zinc/73/84/71/369738471.db2.gz WPQUGBCRNUVPCY-UHFFFAOYSA-N 1 0 246.285 2.134 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000602017507 369735708 /nfs/dbraw/zinc/73/57/08/369735708.db2.gz OCKRONBSHUUNJN-JDGPPOGSSA-N 1 0 248.301 2.114 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602521073 369805424 /nfs/dbraw/zinc/80/54/24/369805424.db2.gz LNKGKLVXRJMTHL-JTQLQIEISA-N 1 0 215.300 2.089 20 30 BEEDRO CC(F)(F)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602674315 369839998 /nfs/dbraw/zinc/83/99/98/369839998.db2.gz XTCKWTXMXORKLG-UHFFFAOYSA-N 1 0 239.269 2.478 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602556353 369812691 /nfs/dbraw/zinc/81/26/91/369812691.db2.gz DEMQJDCFGBJVBJ-NSHDSACASA-N 1 0 247.342 2.246 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CCCCO2)n1 ZINC000602596149 369823588 /nfs/dbraw/zinc/82/35/88/369823588.db2.gz HZSOFXPZLQTANV-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO C[C@H]1CCN(Cc2cccc(C#N)n2)C[C@@H]1F ZINC000602599171 369823905 /nfs/dbraw/zinc/82/39/05/369823905.db2.gz FSSDCOAWPGEJAD-GWCFXTLKSA-N 1 0 233.290 2.133 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CC23CCCC3)n1 ZINC000602637254 369832676 /nfs/dbraw/zinc/83/26/76/369832676.db2.gz KVIJRNISEVGLQC-CYBMUJFWSA-N 1 0 227.311 2.376 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@H]1C ZINC000602471335 369792982 /nfs/dbraw/zinc/79/29/82/369792982.db2.gz CFOLDZQIVCXDKC-NWDGAFQWSA-N 1 0 229.327 2.431 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602503727 369797967 /nfs/dbraw/zinc/79/79/67/369797967.db2.gz FWGZWFYLLQILFL-CYBMUJFWSA-N 1 0 215.300 2.184 20 30 BEEDRO CCC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602504469 369798135 /nfs/dbraw/zinc/79/81/35/369798135.db2.gz QQKQQNYRRVCXMC-JTQLQIEISA-N 1 0 203.289 2.231 20 30 BEEDRO CCC[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602504470 369798289 /nfs/dbraw/zinc/79/82/89/369798289.db2.gz QQKQQNYRRVCXMC-SNVBAGLBSA-N 1 0 203.289 2.231 20 30 BEEDRO Cc1cnc(C[NH2+]CCc2ccc(C#N)cc2)o1 ZINC000602704417 369844406 /nfs/dbraw/zinc/84/44/06/369844406.db2.gz DFGHZBJKIPCRIL-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)n1 ZINC000602707797 369844484 /nfs/dbraw/zinc/84/44/84/369844484.db2.gz USMNZQYOTBCAPZ-LBPRGKRZSA-N 1 0 249.264 2.184 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000602932517 369866574 /nfs/dbraw/zinc/86/65/74/369866574.db2.gz ZLILBWJRXYKVOE-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)n1 ZINC000602693698 369842973 /nfs/dbraw/zinc/84/29/73/369842973.db2.gz HXDFDBLOJGGVBR-WFASDCNBSA-N 1 0 241.338 2.479 20 30 BEEDRO C[NH+](C)[C@@H]1C[C@H](Nc2cccc(C#N)n2)C1(C)C ZINC000603408012 369954688 /nfs/dbraw/zinc/95/46/88/369954688.db2.gz VTSVDRYVSANSBE-NWDGAFQWSA-N 1 0 244.342 2.094 20 30 BEEDRO Cc1cc(C#N)cc(NC(C)(C)c2ncc[nH]2)n1 ZINC000603409527 369956088 /nfs/dbraw/zinc/95/60/88/369956088.db2.gz MXZGVSRUKHOBSG-UHFFFAOYSA-N 1 0 241.298 2.332 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000620856903 370009895 /nfs/dbraw/zinc/00/98/95/370009895.db2.gz FIKWQVCETVSZHD-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[N@@H+](C)C(C)C ZINC000620861129 370012612 /nfs/dbraw/zinc/01/26/12/370012612.db2.gz BXJRVJHFBJCMKE-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO CCOC1CC[NH+](CCCSCC#N)CC1 ZINC000074982113 370065878 /nfs/dbraw/zinc/06/58/78/370065878.db2.gz PMDRBGUPVPBCJW-UHFFFAOYSA-N 1 0 242.388 2.134 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621156553 370129146 /nfs/dbraw/zinc/12/91/46/370129146.db2.gz CBNPVCQOISMMRY-JSGCOSHPSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]Cc1cncc(OCC)c1 ZINC000621370326 370306195 /nfs/dbraw/zinc/30/61/95/370306195.db2.gz HEHBELXONCSNFQ-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO N#CCC[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000568382241 326351748 /nfs/dbraw/zinc/35/17/48/326351748.db2.gz UJJNGOKHKWKYDB-UHFFFAOYSA-N 1 0 249.383 2.458 20 30 BEEDRO Cc1noc(C)c1[C@H](C)NC[C@H](C#N)CCC#N ZINC000113951167 370518550 /nfs/dbraw/zinc/51/85/50/370518550.db2.gz NVKGLXXELNEFQI-CABZTGNLSA-N 1 0 246.314 2.386 20 30 BEEDRO Cc1noc(C)c1[C@@H](C)NC[C@H](C#N)CCC#N ZINC000113951164 370518957 /nfs/dbraw/zinc/51/89/57/370518957.db2.gz NVKGLXXELNEFQI-SKDRFNHKSA-N 1 0 246.314 2.386 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000313064134 370566700 /nfs/dbraw/zinc/56/67/00/370566700.db2.gz RCOMOKKOAZDMEY-NSHDSACASA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCOCC1CCCC1 ZINC000313293284 370574011 /nfs/dbraw/zinc/57/40/11/370574011.db2.gz IJWVBXWVNVDVBO-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000070074508 371008176 /nfs/dbraw/zinc/00/81/76/371008176.db2.gz ZSLQPXDAJVLCFY-GXTWGEPZSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC000070175333 371012037 /nfs/dbraw/zinc/01/20/37/371012037.db2.gz BKPYQIPAIATIKN-IUODEOHRSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1ccccc1F ZINC000037871199 371044841 /nfs/dbraw/zinc/04/48/41/371044841.db2.gz BDIBJALEPULKLT-JTQLQIEISA-N 1 0 206.264 2.260 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000623751316 371082225 /nfs/dbraw/zinc/08/22/25/371082225.db2.gz SELWPJMDEPBTTC-OKILXGFUSA-N 1 0 247.338 2.112 20 30 BEEDRO CN(Cc1ccc(C#N)cc1)C[C@@H]1CCC[N@@H+]1C ZINC000092628407 371106415 /nfs/dbraw/zinc/10/64/15/371106415.db2.gz LVWZVYZEKDXDFG-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1 ZINC000093280281 371151071 /nfs/dbraw/zinc/15/10/71/371151071.db2.gz RBERJKVTLMWGSQ-NSHDSACASA-N 1 0 225.332 2.084 20 30 BEEDRO CN(C[C@H]1CCC[N@@H+]1C)c1cccc(F)c1C#N ZINC000093406694 371165079 /nfs/dbraw/zinc/16/50/79/371165079.db2.gz ZLHNKXMGQYQEKX-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2ccncc2)c1 ZINC000093687172 371184684 /nfs/dbraw/zinc/18/46/84/371184684.db2.gz CQQHSYPCUHCNHH-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000390133999 371188003 /nfs/dbraw/zinc/18/80/03/371188003.db2.gz LDUYDIFYZMUULV-QWRGUYRKSA-N 1 0 220.320 2.011 20 30 BEEDRO N#CCCC[NH2+]C1CCC(F)(F)CC1 ZINC000390215593 371191517 /nfs/dbraw/zinc/19/15/17/371191517.db2.gz OUEAQIZPOJOKHX-UHFFFAOYSA-N 1 0 202.248 2.458 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2cnccc2C#N)C1 ZINC000094136474 371196353 /nfs/dbraw/zinc/19/63/53/371196353.db2.gz XTSDOZZAZNKYMC-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@@H]3C2)o1 ZINC000093505870 371176232 /nfs/dbraw/zinc/17/62/32/371176232.db2.gz QBONWFXJDOTUPI-BXUZGUMPSA-N 1 0 246.310 2.152 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000019960177 371212119 /nfs/dbraw/zinc/21/21/19/371212119.db2.gz UPDUSJAISLSJIB-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C#N)cc1 ZINC000278805581 371241941 /nfs/dbraw/zinc/24/19/41/371241941.db2.gz RNJXKKLIUZHQSK-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000624038147 371266038 /nfs/dbraw/zinc/26/60/38/371266038.db2.gz SXQQGKLQUASSJX-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631074485 371356395 /nfs/dbraw/zinc/35/63/95/371356395.db2.gz AYNFHLQZXRXMCF-NSHDSACASA-N 1 0 233.359 2.353 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631074894 371357761 /nfs/dbraw/zinc/35/77/61/371357761.db2.gz JWBBKAUWKWSZPF-SNVBAGLBSA-N 1 0 220.316 2.453 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624215565 371402889 /nfs/dbraw/zinc/40/28/89/371402889.db2.gz RMRVZUFLKWTQRC-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](C)C2)ccc1C#N ZINC000334735619 371519431 /nfs/dbraw/zinc/51/94/31/371519431.db2.gz RGPJRGMIGHYPRI-XHDPSFHLSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216249296 371726416 /nfs/dbraw/zinc/72/64/16/371726416.db2.gz AQITYUJVGUYWFY-BXUZGUMPSA-N 1 0 230.311 2.076 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@H](CC)CC#N ZINC000573217961 326436135 /nfs/dbraw/zinc/43/61/35/326436135.db2.gz VRYOMLIUJHXCQX-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@H](O)C(F)F)C1CC1 ZINC000631699710 371842374 /nfs/dbraw/zinc/84/23/74/371842374.db2.gz JYFPFJAZUUWILA-QWRGUYRKSA-N 1 0 233.302 2.337 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000133528141 372069057 /nfs/dbraw/zinc/06/90/57/372069057.db2.gz MVFOVNSECREROP-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631618027 372465220 /nfs/dbraw/zinc/46/52/20/372465220.db2.gz ZHYUAOSEDUOWTJ-HNNXBMFYSA-N 1 0 247.338 2.475 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631672126 372498779 /nfs/dbraw/zinc/49/87/79/372498779.db2.gz JWFIGQJENUUFQU-IGQOVBAYSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000631679484 372505170 /nfs/dbraw/zinc/50/51/70/372505170.db2.gz HVGIOTHMOXGZLR-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]2O)C1 ZINC000631742341 372542779 /nfs/dbraw/zinc/54/27/79/372542779.db2.gz RCJLZDHCKLDINJ-RNJOBUHISA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886428 372682472 /nfs/dbraw/zinc/68/24/72/372682472.db2.gz HBCAXGBUHCIDRL-QWHCGFSZSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CCCC[NH+]1CCC(C(=O)NCCC)CC1 ZINC000172174716 372897383 /nfs/dbraw/zinc/89/73/83/372897383.db2.gz DWHRVWVLKTWVIY-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CC[N@H+](C)CCOc1cccc(C)c1 ZINC000172721915 373057499 /nfs/dbraw/zinc/05/74/99/373057499.db2.gz WUDVRJCYSDYXQZ-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO N#CC1(CCC[N@H+]2CC[C@H](F)C2)CCOCC1 ZINC001643147726 1172441466 /nfs/dbraw/zinc/44/14/66/1172441466.db2.gz JHGALNCUNUDPHL-LBPRGKRZSA-N 1 0 240.322 2.131 20 30 BEEDRO C[N@H+](CC(C)(C)C#N)CC12CC(C)(C1)OC2 ZINC001643193297 1172445106 /nfs/dbraw/zinc/44/51/06/1172445106.db2.gz FSAXMPAXOJCDHO-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193282260 205699358 /nfs/dbraw/zinc/69/93/58/205699358.db2.gz DWNRWDOJSDLNLC-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000191307999 205934462 /nfs/dbraw/zinc/93/44/62/205934462.db2.gz BCZSMSVAYQHBAK-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)C2CCCCC2)o1 ZINC000174342992 374183475 /nfs/dbraw/zinc/18/34/75/374183475.db2.gz MVTMFIIBYFNPGV-CQSZACIVSA-N 1 0 248.326 2.182 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C#N)ccn1 ZINC000041677485 374173128 /nfs/dbraw/zinc/17/31/28/374173128.db2.gz IYTFNWSKTASWOY-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000417980550 205969705 /nfs/dbraw/zinc/96/97/05/205969705.db2.gz KPLUOXXQJPJTRQ-NEPJUHHUSA-N 1 0 241.379 2.158 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193007423 205971458 /nfs/dbraw/zinc/97/14/58/205971458.db2.gz RCSOSRGGVHQYNT-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]c(CC)c1 ZINC000425266072 206021319 /nfs/dbraw/zinc/02/13/19/206021319.db2.gz ZAIFKNNVZKRODC-FZMZJTMJSA-N 1 0 232.327 2.069 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424200781 206035657 /nfs/dbraw/zinc/03/56/57/206035657.db2.gz RICIXILOKIHLGT-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1C#N ZINC000424193635 206033996 /nfs/dbraw/zinc/03/39/96/206033996.db2.gz KKXZUJOZFYCERS-UONOGXRCSA-N 1 0 229.327 2.175 20 30 BEEDRO C=C(CC)C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000440476303 206077041 /nfs/dbraw/zinc/07/70/41/206077041.db2.gz HTFRSZKYPULYFA-OAHLLOKOSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449425561 206097866 /nfs/dbraw/zinc/09/78/66/206097866.db2.gz HTHFVXNZWRJFEY-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449425559 206098317 /nfs/dbraw/zinc/09/83/17/206098317.db2.gz HTHFVXNZWRJFEY-LPWJVIDDSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459425931 206125888 /nfs/dbraw/zinc/12/58/88/206125888.db2.gz LCPUBRDENRVYBD-UHFFFAOYSA-N 1 0 249.383 2.363 20 30 BEEDRO CC[NH+]1C[C@H](C)N(CCC(C)(C)C#N)[C@@H](C)C1 ZINC000459465947 206127792 /nfs/dbraw/zinc/12/77/92/206127792.db2.gz QOVZKNLNXDJGHX-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000165165089 206139447 /nfs/dbraw/zinc/13/94/47/206139447.db2.gz MUPHALSJLSCWCC-VHSXEESVSA-N 1 0 238.356 2.116 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1SC ZINC000459492922 206130548 /nfs/dbraw/zinc/13/05/48/206130548.db2.gz XJEJCGCMTVLPSA-GMTAPVOTSA-N 1 0 242.388 2.035 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000093312760 170390491 /nfs/dbraw/zinc/39/04/91/170390491.db2.gz OLHOIRBQSLYXMK-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO OC[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000159852757 183120913 /nfs/dbraw/zinc/12/09/13/183120913.db2.gz MGAGIUWBRLDFRO-AWEZNQCLSA-N 1 0 249.741 2.148 20 30 BEEDRO CCC[N@H+](C)CCOc1ccc(C#N)cc1OC ZINC000077272633 169078245 /nfs/dbraw/zinc/07/82/45/169078245.db2.gz NWCYGDVUMBSETK-UHFFFAOYSA-N 1 0 248.326 2.287 20 30 BEEDRO CCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000034674585 169079095 /nfs/dbraw/zinc/07/90/95/169079095.db2.gz LNTAPJRWILVCSK-UHFFFAOYSA-N 1 0 218.300 2.279 20 30 BEEDRO CCCN(c1cccc(F)c1C#N)[C@@H]1CC[NH2+]C1 ZINC000071332851 169182289 /nfs/dbraw/zinc/18/22/89/169182289.db2.gz LLUZPKAPRHFDHG-LLVKDONJSA-N 1 0 247.317 2.276 20 30 BEEDRO CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000335717595 169186829 /nfs/dbraw/zinc/18/68/29/169186829.db2.gz MEKBWPKRYRBBRK-UHFFFAOYSA-N 1 0 229.327 2.349 20 30 BEEDRO CCCN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000028957365 169205529 /nfs/dbraw/zinc/20/55/29/169205529.db2.gz GOVODMYQSBAJBO-CQSZACIVSA-N 1 0 230.311 2.342 20 30 BEEDRO CCC[NH+]1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000019432518 169202453 /nfs/dbraw/zinc/20/24/53/169202453.db2.gz IBNVXZWZCGAAPV-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CCC[N@@H+]1CC[C@H](CNc2cccnc2C#N)C1 ZINC000277487409 169209056 /nfs/dbraw/zinc/20/90/56/169209056.db2.gz DFCXOLBIYNBRGQ-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO CCC[NH2+]CCNc1cccc(F)c1C#N ZINC000054267511 169260602 /nfs/dbraw/zinc/26/06/02/169260602.db2.gz BDPGUTOYGOYHGS-UHFFFAOYSA-N 1 0 221.279 2.109 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000080524586 169382634 /nfs/dbraw/zinc/38/26/34/169382634.db2.gz OCUZABZPVYZIHJ-AWEZNQCLSA-N 1 0 246.354 2.447 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000181260351 134334540 /nfs/dbraw/zinc/33/45/40/134334540.db2.gz OBCATYIYCMYMRF-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC001644470287 1172562642 /nfs/dbraw/zinc/56/26/42/1172562642.db2.gz WJTMERCCDFWAFB-OAHLLOKOSA-N 1 0 242.366 2.468 20 30 BEEDRO CCN1CCC([N@H+](C)CCC(C)(C)C#N)CC1 ZINC000087595431 535458020 /nfs/dbraw/zinc/45/80/20/535458020.db2.gz IFQUDHFCTYBRDH-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO C#CCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000264136348 532988223 /nfs/dbraw/zinc/98/82/23/532988223.db2.gz VJDSLAWLKYEGEK-UHFFFAOYSA-N 1 0 215.300 2.170 20 30 BEEDRO C#CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000262527500 533000032 /nfs/dbraw/zinc/00/00/32/533000032.db2.gz LSMBYUGOSFNKAL-UHFFFAOYSA-N 1 0 241.338 2.315 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ncccc1C#N ZINC000310137282 383870362 /nfs/dbraw/zinc/87/03/62/383870362.db2.gz ZUCCTMXPEPOPQD-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560119028 383913087 /nfs/dbraw/zinc/91/30/87/383913087.db2.gz VVTOSNOQUKMSND-KXNHARMFSA-N 1 0 210.321 2.224 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCOC1 ZINC000178337022 383914802 /nfs/dbraw/zinc/91/48/02/383914802.db2.gz QLLJEHUWECTIJX-LBPRGKRZSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CCCC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000371716491 383891517 /nfs/dbraw/zinc/89/15/17/383891517.db2.gz OSNMILQBJCECMA-CHWSQXEVSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000560220495 383980870 /nfs/dbraw/zinc/98/08/70/383980870.db2.gz WUWGLADFQKFCKC-RYUDHWBXSA-N 1 0 247.404 2.096 20 30 BEEDRO C=C(Cl)C[NH2+]C(CC)(CC)CC(=O)OC ZINC000298747475 383986693 /nfs/dbraw/zinc/98/66/93/383986693.db2.gz WHOLGNIWPCIPQG-UHFFFAOYSA-N 1 0 233.739 2.450 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1F ZINC000334737255 383987909 /nfs/dbraw/zinc/98/79/09/383987909.db2.gz CDJHFCZUECZINO-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1cc(C#N)cs1 ZINC000339481273 383988452 /nfs/dbraw/zinc/98/84/52/383988452.db2.gz CNTFNBIOIDNZDU-QMMMGPOBSA-N 1 0 212.293 2.457 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000298581111 383945691 /nfs/dbraw/zinc/94/56/91/383945691.db2.gz RAIFOWFLVBTZMO-CQSZACIVSA-N 1 0 231.339 2.454 20 30 BEEDRO COC[C@H]1CC[N@@H+]1Cc1ccc(C#N)c(C)c1 ZINC000339294164 383951645 /nfs/dbraw/zinc/95/16/45/383951645.db2.gz VZCHEYJGKYMLOM-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1cc(CN2CCC[N@@H+](C)CC2)ccc1C#N ZINC000334789833 383953925 /nfs/dbraw/zinc/95/39/25/383953925.db2.gz KUKIJDVDHFRLRU-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037238332 383961487 /nfs/dbraw/zinc/96/14/87/383961487.db2.gz IEPJWUWPCBZESA-DGCLKSJQSA-N 1 0 248.326 2.010 20 30 BEEDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037238326 383962277 /nfs/dbraw/zinc/96/22/77/383962277.db2.gz IEPJWUWPCBZESA-WCQYABFASA-N 1 0 248.326 2.010 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CO1 ZINC000334927109 383974525 /nfs/dbraw/zinc/97/45/25/383974525.db2.gz SYOCXOGCLOOPHY-LBPRGKRZSA-N 1 0 248.301 2.354 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1N(C)C ZINC000309422785 384046455 /nfs/dbraw/zinc/04/64/55/384046455.db2.gz AHAPWYAYTOYKHB-CYBMUJFWSA-N 1 0 216.328 2.254 20 30 BEEDRO CC(C)[NH+](CCNCc1ccc(C#N)o1)C(C)C ZINC000135128747 384051553 /nfs/dbraw/zinc/05/15/53/384051553.db2.gz ZGRUUJMEGJJPPB-UHFFFAOYSA-N 1 0 249.358 2.360 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)oc1C ZINC000278643953 384060087 /nfs/dbraw/zinc/06/00/87/384060087.db2.gz HRMHZIMKVCZMMK-PWSUYJOCSA-N 1 0 223.316 2.484 20 30 BEEDRO C[C@H](O)CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000310184241 384090771 /nfs/dbraw/zinc/09/07/71/384090771.db2.gz XCYLNKMHBMAANA-LBPRGKRZSA-N 1 0 232.327 2.151 20 30 BEEDRO COCCN(CCC#N)CCc1ccccc1 ZINC000070142985 384081145 /nfs/dbraw/zinc/08/11/45/384081145.db2.gz AVBILYMYWYQECX-UHFFFAOYSA-N 1 0 232.327 2.091 20 30 BEEDRO CS[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000128063313 384136301 /nfs/dbraw/zinc/13/63/01/384136301.db2.gz KVKZMFJPDRUZBV-JTQLQIEISA-N 1 0 220.341 2.399 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000375839292 533033249 /nfs/dbraw/zinc/03/32/49/533033249.db2.gz MCVGWEFPQATXIZ-GFCCVEGCSA-N 1 0 217.316 2.180 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000090397393 533033819 /nfs/dbraw/zinc/03/38/19/533033819.db2.gz LPKDJQCRWQIOOR-CYBMUJFWSA-N 1 0 231.343 2.191 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000294071423 533034750 /nfs/dbraw/zinc/03/47/50/533034750.db2.gz KUJWVGQGQHAXPZ-VXGBXAGGSA-N 1 0 217.316 2.282 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1CCCC1 ZINC000449518124 384157452 /nfs/dbraw/zinc/15/74/52/384157452.db2.gz ILLWYEFOUFSPSK-RTXFEEFZSA-N 1 0 209.333 2.498 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCO1 ZINC000334740284 384157679 /nfs/dbraw/zinc/15/76/79/384157679.db2.gz VGWWHRFDUWKIKB-ZWNOBZJWSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000449518122 384157693 /nfs/dbraw/zinc/15/76/93/384157693.db2.gz ILHJIVBTQJNFGV-YIYPIFLZSA-N 1 0 239.359 2.123 20 30 BEEDRO Cc1ccnc(N[C@@H]2CCCC[C@H]2C[NH3+])c1C#N ZINC000135205165 384173063 /nfs/dbraw/zinc/17/30/63/384173063.db2.gz MEHGCDJQCDXUIN-WCQYABFASA-N 1 0 244.342 2.191 20 30 BEEDRO Cc1ccnc(N[C@H]2CCCC[C@@H]2C[NH3+])c1C#N ZINC000135205144 384173071 /nfs/dbraw/zinc/17/30/71/384173071.db2.gz MEHGCDJQCDXUIN-YPMHNXCESA-N 1 0 244.342 2.191 20 30 BEEDRO N#CCCCC[NH2+][C@H](CO)c1ccccc1 ZINC000063001820 134395967 /nfs/dbraw/zinc/39/59/67/134395967.db2.gz SQVSURBISWQLBN-CYBMUJFWSA-N 1 0 218.300 2.003 20 30 BEEDRO C#CCCNC(NCCC1=CCCCC1)=[NH+]C ZINC000262917930 533044761 /nfs/dbraw/zinc/04/47/61/533044761.db2.gz UPSKQZKXJWLXNL-UHFFFAOYSA-N 1 0 233.359 2.065 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000371206155 533042048 /nfs/dbraw/zinc/04/20/48/533042048.db2.gz XHOSWBOTOUOQHB-WFASDCNBSA-N 1 0 229.323 2.334 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000135215795 384182605 /nfs/dbraw/zinc/18/26/05/384182605.db2.gz BFVXWPYXSMOQNY-RISCZKNCSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000135215759 384182657 /nfs/dbraw/zinc/18/26/57/384182657.db2.gz BFVXWPYXSMOQNY-BXUZGUMPSA-N 1 0 230.311 2.073 20 30 BEEDRO Cn1cc(C[N@@H+]2CCCC23CCC3)cc1C#N ZINC000336312784 384205636 /nfs/dbraw/zinc/20/56/36/384205636.db2.gz DBJLHNTXFBRLPJ-UHFFFAOYSA-N 1 0 229.327 2.415 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000371206145 533045043 /nfs/dbraw/zinc/04/50/43/533045043.db2.gz XHOSWBOTOUOQHB-DOMZBBRYSA-N 1 0 229.323 2.334 20 30 BEEDRO CC(C)[C@@H]1CN(Cc2ccccc2C#N)CCO1 ZINC000336352776 384210084 /nfs/dbraw/zinc/21/00/84/384210084.db2.gz VOEFFLWQIDPMFS-HNNXBMFYSA-N 1 0 244.338 2.415 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000560590747 384244910 /nfs/dbraw/zinc/24/49/10/384244910.db2.gz KCDALXMVZGCUHU-GFCCVEGCSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H](CNc1ccc(C#N)cc1)C[NH+](C)C ZINC000291627641 384263295 /nfs/dbraw/zinc/26/32/95/384263295.db2.gz AEUMJTOSGFIYII-LLVKDONJSA-N 1 0 217.316 2.168 20 30 BEEDRO CC1(C)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000174254808 384309978 /nfs/dbraw/zinc/30/99/78/384309978.db2.gz VTJZAQDDZRHKST-LLVKDONJSA-N 1 0 205.305 2.162 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@H](O)C(F)F ZINC000449420206 384311228 /nfs/dbraw/zinc/31/12/28/384311228.db2.gz DUDNISMHEYWNQG-AEJSXWLSSA-N 1 0 221.291 2.335 20 30 BEEDRO CC1(C)CC[N@H+](CCCSCC#N)C1 ZINC000173902529 384283492 /nfs/dbraw/zinc/28/34/92/384283492.db2.gz BSTOILPRMVZWMA-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO C[C@@H]1CN(Cc2ccc(C#N)o2)CC2(CCC2)O1 ZINC000335450371 384291648 /nfs/dbraw/zinc/29/16/48/384291648.db2.gz VUMPCYGXLJSEIA-LLVKDONJSA-N 1 0 246.310 2.295 20 30 BEEDRO C[C@H](CCCO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449408436 384293701 /nfs/dbraw/zinc/29/37/01/384293701.db2.gz NOBXWNFWJMFTTC-IYXRBSQSSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000308834862 384338572 /nfs/dbraw/zinc/33/85/72/384338572.db2.gz HRRWEAYHFQUFBH-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO CC(C)(C#N)C[NH2+]C1Cc2ccccc2C1 ZINC000164957275 384341366 /nfs/dbraw/zinc/34/13/66/384341366.db2.gz APQFYXWYIVQUMG-UHFFFAOYSA-N 1 0 214.312 2.293 20 30 BEEDRO C#CCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000376558848 533056184 /nfs/dbraw/zinc/05/61/84/533056184.db2.gz QNMKZXDHJUIIIF-TZMCWYRMSA-N 1 0 214.312 2.488 20 30 BEEDRO CC[C@@H](C#N)SCC[NH+](CC)CC ZINC000084059941 384362129 /nfs/dbraw/zinc/36/21/29/384362129.db2.gz GVBOWYVZYQSAMH-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000119344466 384327684 /nfs/dbraw/zinc/32/76/84/384327684.db2.gz WUYANXLJLAWFLD-GFCCVEGCSA-N 1 0 231.343 2.215 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000229684474 384405412 /nfs/dbraw/zinc/40/54/12/384405412.db2.gz ACADCOFQDIKKQH-UHFFFAOYSA-N 1 0 242.322 2.460 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC000088202988 384405594 /nfs/dbraw/zinc/40/55/94/384405594.db2.gz LUYOUDOEBJGHPX-LBPRGKRZSA-N 1 0 217.312 2.191 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000313477634 384415271 /nfs/dbraw/zinc/41/52/71/384415271.db2.gz CTTOFMRRYONGSA-UHFFFAOYSA-N 1 0 232.327 2.102 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000449217616 384418461 /nfs/dbraw/zinc/41/84/61/384418461.db2.gz ALKYVIZWMFACCG-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000313495662 384425548 /nfs/dbraw/zinc/42/55/48/384425548.db2.gz XSEXLPFQDUCATM-RYUDHWBXSA-N 1 0 208.349 2.167 20 30 BEEDRO C[C@H]1OCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335607961 384387948 /nfs/dbraw/zinc/38/79/48/384387948.db2.gz VVDKDFMPBDAECO-IKWCTNDRSA-N 1 0 222.332 2.083 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCC[C@H]1O ZINC000286461382 384452424 /nfs/dbraw/zinc/45/24/24/384452424.db2.gz KJZLZIZSROSUJA-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(C#N)cc1 ZINC000135306266 384433533 /nfs/dbraw/zinc/43/35/33/384433533.db2.gz FTBDAHOYXKXLDX-WDMOLILDSA-N 1 0 230.311 2.386 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccnc1C)C(C)C ZINC000309014280 384442790 /nfs/dbraw/zinc/44/27/90/384442790.db2.gz QJKGQALOCKLSFK-CYBMUJFWSA-N 1 0 202.301 2.137 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC001645156645 1172638198 /nfs/dbraw/zinc/63/81/98/1172638198.db2.gz AGIWJMWOTWWYLH-CYBMUJFWSA-N 1 0 231.343 2.322 20 30 BEEDRO C[C@H]1CSCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249099186 384483882 /nfs/dbraw/zinc/48/38/82/384483882.db2.gz UMFPLLSQEZUTHX-VXGBXAGGSA-N 1 0 237.372 2.115 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H](C)O1 ZINC000449446710 384546622 /nfs/dbraw/zinc/54/66/22/384546622.db2.gz UCQBXRVPVCXPCW-NAWOPXAZSA-N 1 0 222.332 2.224 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000335883169 384552629 /nfs/dbraw/zinc/55/26/29/384552629.db2.gz MNXLKBAMQJTVLG-AAEUAGOBSA-N 1 0 215.300 2.172 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000559107992 384558537 /nfs/dbraw/zinc/55/85/37/384558537.db2.gz WKSWFMKKVBTVPR-CQSZACIVSA-N 1 0 232.327 2.421 20 30 BEEDRO C=C(C)C[N@H+](C)CCOc1ccccc1C#N ZINC000170988311 384538445 /nfs/dbraw/zinc/53/84/45/384538445.db2.gz UWKPLLIXRGMXDW-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccccc1NC(C)=O ZINC000491751850 384541234 /nfs/dbraw/zinc/54/12/34/384541234.db2.gz XLZZZYRIBJUUSU-LLVKDONJSA-N 1 0 230.311 2.099 20 30 BEEDRO C#C[C@@H](CC)NC1CC[NH+](C(C)(C)C)CC1 ZINC000310026167 384571533 /nfs/dbraw/zinc/57/15/33/384571533.db2.gz PJVSDBLCKXMFDJ-LBPRGKRZSA-N 1 0 222.376 2.251 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H](C[NH3+])CCCC ZINC000236796613 384579558 /nfs/dbraw/zinc/57/95/58/384579558.db2.gz MMOIHRWCWJONAK-ZDUSSCGKSA-N 1 0 238.375 2.389 20 30 BEEDRO C[C@@H](CNc1snc(Cl)c1C#N)[NH+](C)C ZINC000271285241 384583146 /nfs/dbraw/zinc/58/31/46/384583146.db2.gz HENFQNUYVNACIY-LURJTMIESA-N 1 0 244.751 2.030 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000309602696 384617199 /nfs/dbraw/zinc/61/71/99/384617199.db2.gz XCAUBQCCTFKXRO-UBHSHLNASA-N 1 0 223.360 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCc1ccc(F)cc1Cl ZINC000309601883 384618405 /nfs/dbraw/zinc/61/84/05/384618405.db2.gz WUZVMRLRAKSRML-LLVKDONJSA-N 1 0 243.709 2.158 20 30 BEEDRO CO[C@@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449268717 384622282 /nfs/dbraw/zinc/62/22/82/384622282.db2.gz ITSQDUFRQQWKHU-UNXYVOJBSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc2cccnc2o1 ZINC000449269070 384625683 /nfs/dbraw/zinc/62/56/83/384625683.db2.gz LNPKMPBJMKULTA-UHFFFAOYSA-N 1 0 202.257 2.494 20 30 BEEDRO COc1ccccc1C[N@H+](C)CCCC#N ZINC000042223701 384633907 /nfs/dbraw/zinc/63/39/07/384633907.db2.gz YOOFRILHHHVYNN-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000517962390 384597596 /nfs/dbraw/zinc/59/75/96/384597596.db2.gz WHIYVJAERMIAGT-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1cccc(C#N)c1 ZINC000070624159 384598872 /nfs/dbraw/zinc/59/88/72/384598872.db2.gz AGEFONUMHKBLAB-ZDUSSCGKSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647342526 384600630 /nfs/dbraw/zinc/60/06/30/384600630.db2.gz RMZIIZJTRVWLOO-JSGCOSHPSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647342527 384600858 /nfs/dbraw/zinc/60/08/58/384600858.db2.gz RMZIIZJTRVWLOO-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO COCC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000042296077 384639998 /nfs/dbraw/zinc/63/99/98/384639998.db2.gz VFESDZSTGURZJC-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309615352 384647804 /nfs/dbraw/zinc/64/78/04/384647804.db2.gz BMESHXQWLNZWOV-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C#N)cc1F ZINC000044388937 384655863 /nfs/dbraw/zinc/65/58/63/384655863.db2.gz MBVCKISIYDGUDU-JTQLQIEISA-N 1 0 235.306 2.449 20 30 BEEDRO C[C@H](Cn1cccn1)[NH2+]CCCC(C)(C)C#N ZINC000087597607 134425820 /nfs/dbraw/zinc/42/58/20/134425820.db2.gz PJOHBDCVUUOSSQ-GFCCVEGCSA-N 1 0 234.347 2.191 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000362599415 384717925 /nfs/dbraw/zinc/71/79/25/384717925.db2.gz BBABJZHGVQTNDJ-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO Cc1cccnc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309698006 384742162 /nfs/dbraw/zinc/74/21/62/384742162.db2.gz LSROUYUQXKCBRM-NWDGAFQWSA-N 1 0 215.300 2.172 20 30 BEEDRO CN(CCC#N)CCCOCCc1ccccc1 ZINC000083219205 384752888 /nfs/dbraw/zinc/75/28/88/384752888.db2.gz GHCPNXJVLCYECO-UHFFFAOYSA-N 1 0 246.354 2.481 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@H]1CC=CCC1 ZINC000103338118 384762867 /nfs/dbraw/zinc/76/28/67/384762867.db2.gz HWGKTXDQPQVWFX-LBPRGKRZSA-N 1 0 247.342 2.301 20 30 BEEDRO CC(C)OCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185790421 384769705 /nfs/dbraw/zinc/76/97/05/384769705.db2.gz WQIKKDGUZLMJNB-STQMWFEESA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCC[N@@H+]([C@@H](C)C(=O)OCC)C1CC1 ZINC000190821152 384817332 /nfs/dbraw/zinc/81/73/32/384817332.db2.gz HRTTWXBOROPPBP-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)CC)CC1 ZINC000106036842 384820069 /nfs/dbraw/zinc/82/00/69/384820069.db2.gz RNRPADODSIQYLS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000491428640 384821680 /nfs/dbraw/zinc/82/16/80/384821680.db2.gz PSEACKCZRCVOAC-ZDUSSCGKSA-N 1 0 244.338 2.277 20 30 BEEDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000310014544 384795883 /nfs/dbraw/zinc/79/58/83/384795883.db2.gz KIIWWRQEYTYOST-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO CC[N@@H+]1CCCN(Cc2cccc(C#N)c2)CC1 ZINC000264236878 384796037 /nfs/dbraw/zinc/79/60/37/384796037.db2.gz AAQCYGSSEIZWOG-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CCCCN(C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310037189 384802553 /nfs/dbraw/zinc/80/25/53/384802553.db2.gz UWQITPZNVSCYKK-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCCC(C)C)cc1 ZINC000104152730 384804706 /nfs/dbraw/zinc/80/47/06/384804706.db2.gz FMJYREGMMDGNPQ-UHFFFAOYSA-N 1 0 235.331 2.468 20 30 BEEDRO COc1ccccc1CNC(=[NH2+])NCCC(C)C ZINC000104152761 384805101 /nfs/dbraw/zinc/80/51/01/384805101.db2.gz KUOCXQSLYAWKJF-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000104152978 384805109 /nfs/dbraw/zinc/80/51/09/384805109.db2.gz PNVQKKWXGKERML-UHFFFAOYSA-N 1 0 237.734 2.320 20 30 BEEDRO CCCNC(=[NH2+])NCC1(c2ccc(F)cc2)CC1 ZINC000104173768 384807408 /nfs/dbraw/zinc/80/74/08/384807408.db2.gz IFDXSJQKDMAAMO-UHFFFAOYSA-N 1 0 249.333 2.172 20 30 BEEDRO C#CC[N@@H+](CC[C@H](C)O)[C@@H]1CCc2ccccc21 ZINC000491821883 384876302 /nfs/dbraw/zinc/87/63/02/384876302.db2.gz YUBWUECHWYDWJL-XJKSGUPXSA-N 1 0 243.350 2.380 20 30 BEEDRO C=C(CC)C[NH2+]C(C)(C)CN1CCCC1 ZINC000308638023 384885075 /nfs/dbraw/zinc/88/50/75/384885075.db2.gz VPGONYDFOVRRLN-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(C)(C)C)C1=O ZINC000518273805 384888087 /nfs/dbraw/zinc/88/80/87/384888087.db2.gz JQICCBKOLUECLL-NWDGAFQWSA-N 1 0 238.375 2.140 20 30 BEEDRO CC(C)SCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308662379 384899542 /nfs/dbraw/zinc/89/95/42/384899542.db2.gz QTEWHFYECFJTGB-GHMZBOCLSA-N 1 0 212.362 2.410 20 30 BEEDRO CCCCOCC[NH2+]Cc1ccc(C#N)o1 ZINC000135483717 384902861 /nfs/dbraw/zinc/90/28/61/384902861.db2.gz HOMAZOVHMIAMDZ-UHFFFAOYSA-N 1 0 222.288 2.058 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1(OC)CCCCC1 ZINC000320307341 384923090 /nfs/dbraw/zinc/92/30/90/384923090.db2.gz UQDIXLJMWUOOHO-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000119663823 384927025 /nfs/dbraw/zinc/92/70/25/384927025.db2.gz IUJOIBKATZWJOC-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000358311785 384945731 /nfs/dbraw/zinc/94/57/31/384945731.db2.gz ZPPJDBFASKJIAP-ZDUSSCGKSA-N 1 0 245.370 2.210 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000226181882 384946254 /nfs/dbraw/zinc/94/62/54/384946254.db2.gz DMWADLVHTBCEQX-MROQNXINSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCCn1cc([C@H]([NH3+])CCC)nn1 ZINC000404490255 385021589 /nfs/dbraw/zinc/02/15/89/385021589.db2.gz RFPCVDMRLJPONZ-SNVBAGLBSA-N 1 0 208.309 2.044 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000193552967 384974559 /nfs/dbraw/zinc/97/45/59/384974559.db2.gz OZEOQWKOVADPAM-QWHCGFSZSA-N 1 0 238.375 2.367 20 30 BEEDRO N#CCCOCC[NH2+][C@H]1CC2CCC1CC2 ZINC000339226217 384977297 /nfs/dbraw/zinc/97/72/97/384977297.db2.gz BNKJHRUMLCRZKB-BPCQOVAHSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCOC1 ZINC000135501937 384987979 /nfs/dbraw/zinc/98/79/79/384987979.db2.gz FFTXYLQHJFJXNF-ZJUUUORDSA-N 1 0 236.340 2.134 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226363503 384996501 /nfs/dbraw/zinc/99/65/01/384996501.db2.gz BQWHHDMZCSGZQJ-SGMGOOAPSA-N 1 0 246.354 2.403 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000306496230 384999968 /nfs/dbraw/zinc/99/99/68/384999968.db2.gz DEKZIEPLMBLMDQ-HTQZYQBOSA-N 1 0 200.232 2.066 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000306496233 385001455 /nfs/dbraw/zinc/00/14/55/385001455.db2.gz DEKZIEPLMBLMDQ-YUMQZZPRSA-N 1 0 200.232 2.066 20 30 BEEDRO C#CCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000491486127 385003304 /nfs/dbraw/zinc/00/33/04/385003304.db2.gz UIEPEMCTZBFLLV-UHFFFAOYSA-N 1 0 236.403 2.452 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000088162470 385048863 /nfs/dbraw/zinc/04/88/63/385048863.db2.gz OJAABNLFZQCTSE-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO C=C(C[NH2+]C[C@@H](O)COC(C)C)c1ccccc1 ZINC000644647219 385052731 /nfs/dbraw/zinc/05/27/31/385052731.db2.gz HMJMFOYEOZSZGL-OAHLLOKOSA-N 1 0 249.354 2.075 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnn2ccccc12 ZINC000222055591 385053989 /nfs/dbraw/zinc/05/39/89/385053989.db2.gz VSNGZGWUERCSOR-UHFFFAOYSA-N 1 0 247.367 2.343 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@@H]1CCCO1 ZINC000381491769 385084632 /nfs/dbraw/zinc/08/46/32/385084632.db2.gz YEPOSNVAOCENBM-AGIUHOORSA-N 1 0 224.348 2.473 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000644662450 385072568 /nfs/dbraw/zinc/07/25/68/385072568.db2.gz WSUQWPXQXMXNBN-CQSZACIVSA-N 1 0 222.376 2.204 20 30 BEEDRO N#CCCCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157119164 385076861 /nfs/dbraw/zinc/07/68/61/385076861.db2.gz HFFROWKVTJIYFM-AWEZNQCLSA-N 1 0 235.375 2.240 20 30 BEEDRO C=CC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)O ZINC000644672503 385076943 /nfs/dbraw/zinc/07/69/43/385076943.db2.gz VREZDNZCODHGIF-TZMCWYRMSA-N 1 0 219.328 2.144 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339732607 385023981 /nfs/dbraw/zinc/02/39/81/385023981.db2.gz ZZHLBDANRRDJQH-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000135509245 385032370 /nfs/dbraw/zinc/03/23/70/385032370.db2.gz FVPGHNOQHPDLKC-WDEREUQCSA-N 1 0 218.300 2.071 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647299622 385040127 /nfs/dbraw/zinc/04/01/27/385040127.db2.gz WRQQBXLEOROWIE-LBPRGKRZSA-N 1 0 249.358 2.073 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)CCOC(C)C ZINC000644638845 385042703 /nfs/dbraw/zinc/04/27/03/385042703.db2.gz CKPZGFOAKJEKQP-STQMWFEESA-N 1 0 229.364 2.107 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)CCOC(C)C ZINC000644638841 385043888 /nfs/dbraw/zinc/04/38/88/385043888.db2.gz CKPZGFOAKJEKQP-CHWSQXEVSA-N 1 0 229.364 2.107 20 30 BEEDRO Cc1cc(NCC2CC(C)C2)c(C#N)cn1 ZINC000598642126 385044784 /nfs/dbraw/zinc/04/47/84/385044784.db2.gz BJMKJKSADZFTLL-UHFFFAOYSA-N 1 0 215.300 2.142 20 30 BEEDRO C=C(CC)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000309105239 385126754 /nfs/dbraw/zinc/12/67/54/385126754.db2.gz HPQRKZZYYCPFBA-STQMWFEESA-N 1 0 209.333 2.500 20 30 BEEDRO C[NH+](C)CCSCc1cc(F)ccc1C#N ZINC000157760844 385140112 /nfs/dbraw/zinc/14/01/12/385140112.db2.gz NWUSWWYZXODMBF-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000559638220 385089405 /nfs/dbraw/zinc/08/94/05/385089405.db2.gz CVTMEBMQRBRYJP-LSDHHAIUSA-N 1 0 246.354 2.198 20 30 BEEDRO CCC(O)(CC)CC[NH2+]Cc1ccc(C#N)o1 ZINC000276171501 385107683 /nfs/dbraw/zinc/10/76/83/385107683.db2.gz CRAUWXLWPXZLRX-UHFFFAOYSA-N 1 0 236.315 2.182 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000424658248 385184196 /nfs/dbraw/zinc/18/41/96/385184196.db2.gz PJHUJCLUWNTPPN-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)COC)c1ccc(F)cc1 ZINC000491623147 385192606 /nfs/dbraw/zinc/19/26/06/385192606.db2.gz HTBXPUPMYGKAKM-FZMZJTMJSA-N 1 0 235.302 2.372 20 30 BEEDRO C=C(Cl)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000157350465 385143324 /nfs/dbraw/zinc/14/33/24/385143324.db2.gz AJQRVFKBDUMHNB-GFCCVEGCSA-N 1 0 228.767 2.157 20 30 BEEDRO Cn1cc(C[NH2+]CCC2(C)CC2)cc1C#N ZINC000279550826 385145968 /nfs/dbraw/zinc/14/59/68/385145968.db2.gz AGDQQCLZEQJPQS-UHFFFAOYSA-N 1 0 217.316 2.177 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC000263835610 385149786 /nfs/dbraw/zinc/14/97/86/385149786.db2.gz WVGKOGHNYMUZFV-LLVKDONJSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000262844132 385171673 /nfs/dbraw/zinc/17/16/73/385171673.db2.gz JFJVSYPZTIRATA-DGCLKSJQSA-N 1 0 236.359 2.012 20 30 BEEDRO CC(=O)Nc1cccc(CN(C)[C@@H](C)CC#N)c1 ZINC000129679354 385173324 /nfs/dbraw/zinc/17/33/24/385173324.db2.gz NOPAMDKJJMHZMY-NSHDSACASA-N 1 0 245.326 2.379 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@H]1C ZINC000189353790 385175926 /nfs/dbraw/zinc/17/59/26/385175926.db2.gz OCTLGJWVBZAPFY-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO Cn1cc(C[NH2+]CCc2ccsc2)cc1C#N ZINC000189590542 385213224 /nfs/dbraw/zinc/21/32/24/385213224.db2.gz DSQYNXGPEVNFSD-UHFFFAOYSA-N 1 0 245.351 2.291 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000158110802 385215707 /nfs/dbraw/zinc/21/57/07/385215707.db2.gz OTFATVISTBNNSQ-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C=CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000308859918 385222585 /nfs/dbraw/zinc/22/25/85/385222585.db2.gz ZNGCNXWFWBFJRN-LLVKDONJSA-N 1 0 207.321 2.283 20 30 BEEDRO CCCC[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000338222131 385224909 /nfs/dbraw/zinc/22/49/09/385224909.db2.gz VQSQGOSMRIAOFK-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO C#CC[N@@H+](CC[C@@H](C)O)C1CCCCC1 ZINC000491255660 385256870 /nfs/dbraw/zinc/25/68/70/385256870.db2.gz XQRQDVDYCOUMBC-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO CCCNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153440374 385253362 /nfs/dbraw/zinc/25/33/62/385253362.db2.gz BJHLYQNDXKKVLK-UHFFFAOYSA-N 1 0 233.359 2.160 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1CCC(F)(F)CC1 ZINC000647306439 385204357 /nfs/dbraw/zinc/20/43/57/385204357.db2.gz QUDAGUUDNCJMKF-NSHDSACASA-N 1 0 233.302 2.481 20 30 BEEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCCC#N ZINC000130561776 385260035 /nfs/dbraw/zinc/26/00/35/385260035.db2.gz CLQONHWGOSZHJY-GFCCVEGCSA-N 1 0 232.331 2.467 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343605629 385260322 /nfs/dbraw/zinc/26/03/22/385260322.db2.gz OXNHLNXSBHKCKC-VXGBXAGGSA-N 1 0 232.327 2.114 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644732062 385272299 /nfs/dbraw/zinc/27/22/99/385272299.db2.gz IBVIDPHLHXMPDR-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000491266626 385285657 /nfs/dbraw/zinc/28/56/57/385285657.db2.gz PYTHRQYNSLKZTN-JTQLQIEISA-N 1 0 222.719 2.497 20 30 BEEDRO C=C(C)C[NH2+]C1(CC(=O)OC)CCCC1 ZINC000280285010 385290290 /nfs/dbraw/zinc/29/02/90/385290290.db2.gz DWMDUWZMEAOJJK-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000308920879 385292408 /nfs/dbraw/zinc/29/24/08/385292408.db2.gz IVPKWZAYQPINON-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000308990728 385333494 /nfs/dbraw/zinc/33/34/94/385333494.db2.gz LCBYVNGLFRKVTK-VIFPVBQESA-N 1 0 201.273 2.400 20 30 BEEDRO C#CCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000491325817 385350936 /nfs/dbraw/zinc/35/09/36/385350936.db2.gz HFYNUMBPRZTCCK-LBPRGKRZSA-N 1 0 201.269 2.440 20 30 BEEDRO CC(C)OC1CC([NH2+]CC(C)(C)C#N)C1 ZINC000309008203 385359491 /nfs/dbraw/zinc/35/94/91/385359491.db2.gz QSOWQNAOLPLDKQ-UHFFFAOYSA-N 1 0 210.321 2.082 20 30 BEEDRO C#CC[N@@H+]1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000491338971 385363994 /nfs/dbraw/zinc/36/39/94/385363994.db2.gz MWBLPTAXHJLMCQ-HNNXBMFYSA-N 1 0 241.334 2.473 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CCC(C)C)C1CC1 ZINC000309022758 385365340 /nfs/dbraw/zinc/36/53/40/385365340.db2.gz YGLHFDRULWLHAH-CHWSQXEVSA-N 1 0 211.349 2.338 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H](C)O ZINC000192736824 385369825 /nfs/dbraw/zinc/36/98/25/385369825.db2.gz SVQMWBHMGHFWEV-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C1CC1 ZINC000309019689 385372421 /nfs/dbraw/zinc/37/24/21/385372421.db2.gz WHJYNASCIUWWSY-RTXFEEFZSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000309018167 385373291 /nfs/dbraw/zinc/37/32/91/385373291.db2.gz VLPLNECNBRGJTI-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313067208 385325995 /nfs/dbraw/zinc/32/59/95/385325995.db2.gz PTQLQYDYVWQDKC-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cn(C)nc1C ZINC000308984168 385326324 /nfs/dbraw/zinc/32/63/24/385326324.db2.gz JCPXIWYUVHUGTQ-SNVBAGLBSA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCCC[NH2+]CCC(C)(C)C(=O)OC ZINC000308971201 385327753 /nfs/dbraw/zinc/32/77/53/385327753.db2.gz ZOEPZZKNJKHRSS-UHFFFAOYSA-N 1 0 213.321 2.132 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CCCC[NH+](C)C ZINC000644799190 385392825 /nfs/dbraw/zinc/39/28/25/385392825.db2.gz JSEAXVPRQJWASY-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000644801776 385411299 /nfs/dbraw/zinc/41/12/99/385411299.db2.gz PDRNOECOPXQGHO-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cnc2cccc(C)n12 ZINC000491669383 385423328 /nfs/dbraw/zinc/42/33/28/385423328.db2.gz UJENUWYQHAPEON-NSHDSACASA-N 1 0 227.311 2.096 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCN1CCC1 ZINC000309195465 385458441 /nfs/dbraw/zinc/45/84/41/385458441.db2.gz QMDUMSBSBQBFCE-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911082 385454621 /nfs/dbraw/zinc/45/46/21/385454621.db2.gz MZLCLAHUMIEGMD-CHWSQXEVSA-N 1 0 249.333 2.386 20 30 BEEDRO COC[C@H](C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000170910870 385455347 /nfs/dbraw/zinc/45/53/47/385455347.db2.gz ZQWZMGWJDQVBAV-GFCCVEGCSA-N 1 0 249.358 2.313 20 30 BEEDRO CN(C)C(=[NH2+])NCCCc1ccc(Cl)cc1 ZINC000170914212 385456290 /nfs/dbraw/zinc/45/62/90/385456290.db2.gz FYZUWJDPJYQEHJ-UHFFFAOYSA-N 1 0 239.750 2.149 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(C)C1 ZINC000309121513 385428193 /nfs/dbraw/zinc/42/81/93/385428193.db2.gz OASUZQJZLHLTBI-MVKMKZAISA-N 1 0 209.333 2.356 20 30 BEEDRO C=C[C@H](C)[NH2+]CCCc1cnccc1C ZINC000309130998 385431481 /nfs/dbraw/zinc/43/14/81/385431481.db2.gz QZIJIYNJAMVZOU-LBPRGKRZSA-N 1 0 204.317 2.487 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)[C@@H]1CCCO1 ZINC000182292999 385432591 /nfs/dbraw/zinc/43/25/91/385432591.db2.gz VBLOGJSGQRMWCB-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+]CCCC#N)CCO1 ZINC000309140098 385433491 /nfs/dbraw/zinc/43/34/91/385433491.db2.gz GWPQDOBNIQQANX-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO Cc1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000309220858 385481579 /nfs/dbraw/zinc/48/15/79/385481579.db2.gz VDPWXJSDAWOBFI-VHSXEESVSA-N 1 0 221.329 2.233 20 30 BEEDRO CC#CCC[N@@H+](CC)CCc1nccs1 ZINC000157064883 385484744 /nfs/dbraw/zinc/48/47/44/385484744.db2.gz GBGKIYGJAWKVHW-UHFFFAOYSA-N 1 0 222.357 2.421 20 30 BEEDRO CSCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000590643461 385504844 /nfs/dbraw/zinc/50/48/44/385504844.db2.gz OXWLXTULDVYIPO-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO C#C[C@H]1COCCN1Cc1cccc2ccoc21 ZINC000491374693 385507495 /nfs/dbraw/zinc/50/74/95/385507495.db2.gz SEGGAVJGTGHGOG-AWEZNQCLSA-N 1 0 241.290 2.267 20 30 BEEDRO C#CC[N@@H+](CCC[C@@H](C)O)C1CCCC1 ZINC000491693951 385512580 /nfs/dbraw/zinc/51/25/80/385512580.db2.gz KDBUFGJSKOCNBE-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCNC(=O)C1CC1 ZINC000449061725 385489562 /nfs/dbraw/zinc/48/95/62/385489562.db2.gz JQAQPIZLKMNJPR-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CN(C)c1ccc(C(N)=[NH+]OCC2CCC2)cc1 ZINC000157988733 385541504 /nfs/dbraw/zinc/54/15/04/385541504.db2.gz GLOPKQLBKLNOLQ-UHFFFAOYSA-N 1 0 247.342 2.190 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000591021357 385551543 /nfs/dbraw/zinc/55/15/43/385551543.db2.gz AUMVXNOISXFZQS-DTWKUNHWSA-N 1 0 202.248 2.266 20 30 BEEDRO CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152638 385567384 /nfs/dbraw/zinc/56/73/84/385567384.db2.gz ZGIUDWYJUKRYST-LSDHHAIUSA-N 1 0 244.338 2.488 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000309407166 385572973 /nfs/dbraw/zinc/57/29/73/385572973.db2.gz BBBQRAPDIGHXQS-GRYCIOLGSA-N 1 0 224.348 2.329 20 30 BEEDRO CC(C)[C@]1(CO)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411768754 385606191 /nfs/dbraw/zinc/60/61/91/385606191.db2.gz GGPCJIHLIWISCY-ZIAGYGMSSA-N 1 0 238.375 2.409 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309471961 385601187 /nfs/dbraw/zinc/60/11/87/385601187.db2.gz QVZXAFFQJJXIQL-TUAOUCFPSA-N 1 0 224.348 2.472 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC000453405646 385601480 /nfs/dbraw/zinc/60/14/80/385601480.db2.gz JROUUUXTFQBPRO-RBSFLKMASA-N 1 0 242.322 2.049 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1ncnn1CC ZINC000309480702 385605264 /nfs/dbraw/zinc/60/52/64/385605264.db2.gz SYFISTFETPZDSG-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CCOc1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000414848977 385617123 /nfs/dbraw/zinc/61/71/23/385617123.db2.gz QKUBHADNTXPBIO-CQSZACIVSA-N 1 0 246.354 2.093 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000595055916 385618857 /nfs/dbraw/zinc/61/88/57/385618857.db2.gz MQLIMVGYYKVMEZ-GJZGRUSLSA-N 1 0 239.322 2.383 20 30 BEEDRO CC[C@@H](C)N(CC)C(=O)[C@H]([NH3+])CCCCC#N ZINC000595250476 385622790 /nfs/dbraw/zinc/62/27/90/385622790.db2.gz NMHXFJVFSFKIOQ-VXGBXAGGSA-N 1 0 239.363 2.045 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)CS(=O)(=O)CC ZINC000336651464 385624391 /nfs/dbraw/zinc/62/43/91/385624391.db2.gz ALTCRDMELNNVAY-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C(C)C ZINC000302401292 385635240 /nfs/dbraw/zinc/63/52/40/385635240.db2.gz RQYGHXSBTNUIJK-UONOGXRCSA-N 1 0 235.302 2.107 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc(O)c2)CC1 ZINC000309484991 385611709 /nfs/dbraw/zinc/61/17/09/385611709.db2.gz FYDSTCYUQKOPTC-UHFFFAOYSA-N 1 0 216.284 2.176 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336650403 385612929 /nfs/dbraw/zinc/61/29/29/385612929.db2.gz INYJQDDYCVRBSC-UWVGGRQHSA-N 1 0 212.362 2.267 20 30 BEEDRO CCN(C[C@@H]1CCCC[N@@H+]1C(C)C)[C@@H](C)C#N ZINC000595821618 385639341 /nfs/dbraw/zinc/63/93/41/385639341.db2.gz XKLAZIKHAXONNU-KBPBESRZSA-N 1 0 237.391 2.483 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(OC)cc(C)n1)C(C)C ZINC000302450742 385654693 /nfs/dbraw/zinc/65/46/93/385654693.db2.gz XJJCFFHAJSUFCB-CQSZACIVSA-N 1 0 232.327 2.146 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1nccs1 ZINC000184441113 385657981 /nfs/dbraw/zinc/65/79/81/385657981.db2.gz AJDPADVQMYPREL-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184275808 385678170 /nfs/dbraw/zinc/67/81/70/385678170.db2.gz KMFNMJFTAFMSQS-WDEREUQCSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccccc1C ZINC000184272021 385679306 /nfs/dbraw/zinc/67/93/06/385679306.db2.gz KKQCRQNVWHCGCM-CYBMUJFWSA-N 1 0 205.301 2.022 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@]1(C)CCCO1 ZINC000309548323 385681814 /nfs/dbraw/zinc/68/18/14/385681814.db2.gz HJRNLTDXPIHBGG-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000309552892 385684285 /nfs/dbraw/zinc/68/42/85/385684285.db2.gz GOEORNSGMKJRQY-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO C[NH+](C)C[C@@H]1CCN(Cc2cc(C#N)cs2)C1 ZINC000125550484 385708624 /nfs/dbraw/zinc/70/86/24/385708624.db2.gz ZODWASNKPMCGRY-NSHDSACASA-N 1 0 249.383 2.003 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000309578747 385711319 /nfs/dbraw/zinc/71/13/19/385711319.db2.gz PTEBAAMWRVLFDY-GRYCIOLGSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000309578751 385712100 /nfs/dbraw/zinc/71/21/00/385712100.db2.gz PTEBAAMWRVLFDY-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000309582049 385713954 /nfs/dbraw/zinc/71/39/54/385713954.db2.gz QQJNDNSGYUDJTR-FRRDWIJNSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336654934 385737006 /nfs/dbraw/zinc/73/70/06/385737006.db2.gz GZQIQYAECOGCDZ-SRVKXCTJSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185795559 385739867 /nfs/dbraw/zinc/73/98/67/385739867.db2.gz IFGPWUXZVWIZNU-YNEHKIRRSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCOc1ccc(CNCC[NH2+]CCC)cc1 ZINC000414863612 385759510 /nfs/dbraw/zinc/75/95/10/385759510.db2.gz AYHJOZIBXWIQGO-UHFFFAOYSA-N 1 0 248.370 2.341 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000186693278 385781264 /nfs/dbraw/zinc/78/12/64/385781264.db2.gz SPMQKKRMURHZPM-TZMCWYRMSA-N 1 0 235.302 2.340 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccs1 ZINC000186704024 385781440 /nfs/dbraw/zinc/78/14/40/385781440.db2.gz MZPLDNAMAZEOIP-UWVGGRQHSA-N 1 0 211.330 2.336 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000186695283 385782150 /nfs/dbraw/zinc/78/21/50/385782150.db2.gz PGYWDZJFCZPCSD-GXTWGEPZSA-N 1 0 249.354 2.153 20 30 BEEDRO C#CC[N@H+]1CC=C(c2cccc(OC)c2)CC1 ZINC000368816608 533145086 /nfs/dbraw/zinc/14/50/86/533145086.db2.gz GGVIVLADUVCTOA-UHFFFAOYSA-N 1 0 227.307 2.418 20 30 BEEDRO C[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc(C#N)c1 ZINC000397868931 385721825 /nfs/dbraw/zinc/72/18/25/385721825.db2.gz RUOHETOPYANFKE-GFCCVEGCSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccc(C#N)cc1 ZINC000397857013 385724194 /nfs/dbraw/zinc/72/41/94/385724194.db2.gz MNVQSCAEUFXJAR-LBPRGKRZSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000122832558 385810229 /nfs/dbraw/zinc/81/02/29/385810229.db2.gz VOQZZDLNEVUHMT-UHFFFAOYSA-N 1 0 219.284 2.091 20 30 BEEDRO N#CCC1(CN2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000602776858 385821389 /nfs/dbraw/zinc/82/13/89/385821389.db2.gz FGWCPLHJMQQHFY-AWEZNQCLSA-N 1 0 247.386 2.098 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000336738376 385834773 /nfs/dbraw/zinc/83/47/73/385834773.db2.gz KCBAJBSNEASNME-RYUDHWBXSA-N 1 0 219.332 2.142 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000336738375 385835002 /nfs/dbraw/zinc/83/50/02/385835002.db2.gz KCBAJBSNEASNME-NWDGAFQWSA-N 1 0 219.332 2.142 20 30 BEEDRO C=CCCCCC[NH2+]Cc1ccn(C)n1 ZINC000236077646 259675659 /nfs/dbraw/zinc/67/56/59/259675659.db2.gz DJMAGNKTRFLWBD-UHFFFAOYSA-N 1 0 207.321 2.256 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000451490387 385839660 /nfs/dbraw/zinc/83/96/60/385839660.db2.gz LVOIWHNAJBQPKV-YNEHKIRRSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCOc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000414867005 385788892 /nfs/dbraw/zinc/78/88/92/385788892.db2.gz NSIODZJPQZZUPI-CQSZACIVSA-N 1 0 246.354 2.093 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000491747161 385796132 /nfs/dbraw/zinc/79/61/32/385796132.db2.gz CIOOQNRGAZNIHO-CYBMUJFWSA-N 1 0 245.370 2.380 20 30 BEEDRO COC(C)(C)C[N@H+](C)C[C@H](C)CCC#N ZINC000602483159 385797515 /nfs/dbraw/zinc/79/75/15/385797515.db2.gz HDHKNWRGPXYVDD-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO C#CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000366030742 533151897 /nfs/dbraw/zinc/15/18/97/533151897.db2.gz VTQBSZIFLYEXBK-UHFFFAOYSA-N 1 0 227.307 2.141 20 30 BEEDRO CC[C@@H](C[N@H+](C)Cc1cccc(C#N)c1)OC ZINC000397082946 385894902 /nfs/dbraw/zinc/89/49/02/385894902.db2.gz GXSBBCQLKKZCQY-AWEZNQCLSA-N 1 0 232.327 2.415 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(Cl)cc1 ZINC000390786624 385900409 /nfs/dbraw/zinc/90/04/09/385900409.db2.gz QITNUVZLMNGRDF-OLZOCXBDSA-N 1 0 235.714 2.393 20 30 BEEDRO C[C@@H](CNc1ccc(C#N)cc1)C[NH+](C)C ZINC000291627643 385900689 /nfs/dbraw/zinc/90/06/89/385900689.db2.gz AEUMJTOSGFIYII-NSHDSACASA-N 1 0 217.316 2.168 20 30 BEEDRO CO[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@H]1C ZINC000451563110 385902842 /nfs/dbraw/zinc/90/28/42/385902842.db2.gz JPRMXQKNIUGNAY-ZBFHGGJFSA-N 1 0 243.350 2.395 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[C@H]1CCSC1)C1CC1 ZINC000494945632 533149381 /nfs/dbraw/zinc/14/93/81/533149381.db2.gz GPTHUMYGQNHUDE-WDEREUQCSA-N 1 0 224.373 2.364 20 30 BEEDRO C#CC[NH+]1CCC(c2ccc(C)nc2)CC1 ZINC000370068689 533149720 /nfs/dbraw/zinc/14/97/20/533149720.db2.gz AOHWMYMOIFAGLL-UHFFFAOYSA-N 1 0 214.312 2.203 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000189312937 385975513 /nfs/dbraw/zinc/97/55/13/385975513.db2.gz HHSAPSUPPRZSOD-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189312893 385976363 /nfs/dbraw/zinc/97/63/63/385976363.db2.gz HHSAPSUPPRZSOD-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000335018349 385977404 /nfs/dbraw/zinc/97/74/04/385977404.db2.gz FUPIJWNNCOPBIE-HSBZDZAISA-N 1 0 235.375 2.048 20 30 BEEDRO CO[C@H]1C[N@H+](CCCCC#N)CC[C@H]1C ZINC000189349084 385985523 /nfs/dbraw/zinc/98/55/23/385985523.db2.gz AQLBKCCJYLVRHR-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccn(C)n1 ZINC000414139331 385986085 /nfs/dbraw/zinc/98/60/85/385986085.db2.gz JGAVBYPFPWCLQX-HIFPTAJRSA-N 1 0 246.358 2.401 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000643254489 385986669 /nfs/dbraw/zinc/98/66/69/385986669.db2.gz CRBXSVQRAHDTGU-ZIAGYGMSSA-N 1 0 223.360 2.436 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H](O)c1ccccc1 ZINC000368909458 533153530 /nfs/dbraw/zinc/15/35/30/533153530.db2.gz IPPDNZPBVGEMDR-CABCVRRESA-N 1 0 229.323 2.208 20 30 BEEDRO CO[C@@H](C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000425411342 385987065 /nfs/dbraw/zinc/98/70/65/385987065.db2.gz ARCBMNWJWHZHSY-ZDUSSCGKSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000643254488 385987070 /nfs/dbraw/zinc/98/70/70/385987070.db2.gz CRBXSVQRAHDTGU-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO C[C@@H](CNc1cccc(F)c1C#N)[NH+](C)C ZINC000087031367 385990226 /nfs/dbraw/zinc/99/02/26/385990226.db2.gz XOPGBFKHKFKVFP-VIFPVBQESA-N 1 0 221.279 2.059 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC12CCCC2 ZINC000189219706 385952712 /nfs/dbraw/zinc/95/27/12/385952712.db2.gz LLEWHEYFOJHPEE-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO CC1(C)C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)(C)O1 ZINC000189231478 385955249 /nfs/dbraw/zinc/95/52/49/385955249.db2.gz AKLOTBNXZCBQLA-NEPJUHHUSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414091457 385957754 /nfs/dbraw/zinc/95/77/54/385957754.db2.gz DDHKIDMYZBDPKQ-GFCCVEGCSA-N 1 0 249.358 2.073 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414097723 385961297 /nfs/dbraw/zinc/96/12/97/385961297.db2.gz PQPBGCTWSUODJC-WDEREUQCSA-N 1 0 219.332 2.445 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414117222 386011799 /nfs/dbraw/zinc/01/17/99/386011799.db2.gz RUXIQIXGFGJKOI-WDEREUQCSA-N 1 0 220.316 2.185 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414169742 386016019 /nfs/dbraw/zinc/01/60/19/386016019.db2.gz SAALGTCLXLQLRZ-LLVKDONJSA-N 1 0 232.331 2.376 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cn[nH]c1 ZINC000414171799 386016672 /nfs/dbraw/zinc/01/66/72/386016672.db2.gz VHNWQBLHQOBQDG-SECBINFHSA-N 1 0 206.293 2.000 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccnn1C ZINC000414172143 386018339 /nfs/dbraw/zinc/01/83/39/386018339.db2.gz VOXPJLJJTUZXJL-JTQLQIEISA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cnn(C)c1 ZINC000414161007 386045318 /nfs/dbraw/zinc/04/53/18/386045318.db2.gz DVQFBLMJUVLTBT-SNVBAGLBSA-N 1 0 220.320 2.011 20 30 BEEDRO C=CCCC1(c2nc(C3([NH3+])CCC3)no2)CC1 ZINC000414651258 386069693 /nfs/dbraw/zinc/06/96/93/386069693.db2.gz VDAPAJHFKLONKU-UHFFFAOYSA-N 1 0 233.315 2.405 20 30 BEEDRO CCCC[C@H](COC)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336729040 386096661 /nfs/dbraw/zinc/09/66/61/386096661.db2.gz HKALNKKWBRLHNI-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414350232 386152430 /nfs/dbraw/zinc/15/24/30/386152430.db2.gz UEXAHRDZXSSPHD-RYUDHWBXSA-N 1 0 226.364 2.234 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000086500242 386161967 /nfs/dbraw/zinc/16/19/67/386161967.db2.gz ABFCEYFACZHSEY-VXGBXAGGSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CC[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415923288 386163797 /nfs/dbraw/zinc/16/37/97/386163797.db2.gz VWLKTQBWMORAEY-NSHDSACASA-N 1 0 247.342 2.492 20 30 BEEDRO C=CC[C@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415969080 386170867 /nfs/dbraw/zinc/17/08/67/386170867.db2.gz DBWBMYMUBLKKIY-JTQLQIEISA-N 1 0 233.315 2.231 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(CCO)CC1)C1CC1 ZINC000188066328 386175917 /nfs/dbraw/zinc/17/59/17/386175917.db2.gz KKTHWZHSEPNCPX-CYBMUJFWSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416013661 386177783 /nfs/dbraw/zinc/17/77/83/386177783.db2.gz RWXAAMCHKIROEA-UHFFFAOYSA-N 1 0 245.326 2.378 20 30 BEEDRO C[C@H](CC[NH+](C)C)Nc1cccc(F)c1C#N ZINC000112012585 386189325 /nfs/dbraw/zinc/18/93/25/386189325.db2.gz PPVYRDXTELXSIK-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO C=CCN(CC[NH2+]C(C)(C)C)CC(F)(F)F ZINC000414694521 386193985 /nfs/dbraw/zinc/19/39/85/386193985.db2.gz TUAIMRLYCNUTJY-UHFFFAOYSA-N 1 0 238.297 2.425 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)c1cnn(C)c1 ZINC000267206710 386196820 /nfs/dbraw/zinc/19/68/20/386196820.db2.gz PQMJMKUBFFRBGB-VIFPVBQESA-N 1 0 246.339 2.204 20 30 BEEDRO CCN(CCCC#N)CC[NH+]1CCCCCC1 ZINC000347302770 386306088 /nfs/dbraw/zinc/30/60/88/386306088.db2.gz GHBSXYYXQIMJGN-UHFFFAOYSA-N 1 0 237.391 2.488 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000320323333 386323499 /nfs/dbraw/zinc/32/34/99/386323499.db2.gz FARCOELBWWWNDA-SNVBAGLBSA-N 1 0 236.340 2.036 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+]CC(C)(C)CCC#N ZINC000164730050 386273711 /nfs/dbraw/zinc/27/37/11/386273711.db2.gz DTRDPYHODYCALB-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@@]1(CO)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000347240197 386274993 /nfs/dbraw/zinc/27/49/93/386274993.db2.gz WGQIRHFYENWYLU-CQSZACIVSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000347346962 386341561 /nfs/dbraw/zinc/34/15/61/386341561.db2.gz QOMSWCLZKGDPRK-CHWSQXEVSA-N 1 0 208.349 2.121 20 30 BEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CCC(C)(C)C#N ZINC000347316579 386355440 /nfs/dbraw/zinc/35/54/40/386355440.db2.gz QNYXWFFNFFKBOQ-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccncc1 ZINC000280597239 386364747 /nfs/dbraw/zinc/36/47/47/386364747.db2.gz IYLUQTGBZPRGEU-KBPBESRZSA-N 1 0 232.327 2.152 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(C)n[nH]c1C ZINC000280656838 386366493 /nfs/dbraw/zinc/36/64/93/386366493.db2.gz OSHUQZTZELEYGR-TZMCWYRMSA-N 1 0 249.358 2.097 20 30 BEEDRO C=Cn1cc(C[NH2+]C[C@@H]2CCO[C@H]2C(=C)C)cn1 ZINC000280645870 386368163 /nfs/dbraw/zinc/36/81/63/386368163.db2.gz NRZAUQHYGUSBLB-KBPBESRZSA-N 1 0 247.342 2.054 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(O)c1 ZINC000280749669 386373044 /nfs/dbraw/zinc/37/30/44/386373044.db2.gz XSZFBFPZKGQGPM-ZFWWWQNUSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000347343355 386338656 /nfs/dbraw/zinc/33/86/56/386338656.db2.gz RCMFIPVLBOUWHD-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO CCC(CC)(CO)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310018029 134497745 /nfs/dbraw/zinc/49/77/45/134497745.db2.gz LUTNMPJVGITMQQ-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@@H](C)O ZINC000453319176 386404457 /nfs/dbraw/zinc/40/44/57/386404457.db2.gz CZIWGWOECMAALL-ONERCXAPSA-N 1 0 244.338 2.295 20 30 BEEDRO CN(Cc1ccccc1[N+](=O)[O-])CC1(C#N)CC1 ZINC000347454118 386410295 /nfs/dbraw/zinc/41/02/95/386410295.db2.gz CYWSQERMLNCSRK-UHFFFAOYSA-N 1 0 245.282 2.330 20 30 BEEDRO C=CCN(CCc1ccccc1)C[C@@H](C)[NH3+] ZINC000442664836 386413268 /nfs/dbraw/zinc/41/32/68/386413268.db2.gz KVINKWULJQRBJC-CYBMUJFWSA-N 1 0 218.344 2.064 20 30 BEEDRO C=CCOc1ccccc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000414773787 386466600 /nfs/dbraw/zinc/46/66/00/386466600.db2.gz SWUBMHHMDNADPB-JSGCOSHPSA-N 1 0 246.354 2.173 20 30 BEEDRO CN(C)C1(C[NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000417353750 386490261 /nfs/dbraw/zinc/49/02/61/386490261.db2.gz JYCLDUXOOKCEAX-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000417357735 386493570 /nfs/dbraw/zinc/49/35/70/386493570.db2.gz RXQNDEGHJOXBRS-NWDGAFQWSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[N@H+](C)CCOC(=O)Cc1ccccc1 ZINC001645309214 1172651181 /nfs/dbraw/zinc/65/11/81/1172651181.db2.gz GPAXEORARWDRHB-UHFFFAOYSA-N 1 0 247.338 2.280 20 30 BEEDRO C=CCOc1cccc(CN[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000415013029 386495944 /nfs/dbraw/zinc/49/59/44/386495944.db2.gz ULQKVCSYDDLBOR-NEPJUHHUSA-N 1 0 234.343 2.077 20 30 BEEDRO C=CCOc1cccc(CN[C@H](C)[C@@H](C)[NH3+])c1 ZINC000415013032 386496064 /nfs/dbraw/zinc/49/60/64/386496064.db2.gz ULQKVCSYDDLBOR-VXGBXAGGSA-N 1 0 234.343 2.077 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1CCC(C)CC1 ZINC000320138812 386520686 /nfs/dbraw/zinc/52/06/86/386520686.db2.gz BCNUTFBHZJUIIP-WXRRBKDZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000124237042 386584753 /nfs/dbraw/zinc/58/47/53/386584753.db2.gz HDZSFAGRYATVJR-NSHDSACASA-N 1 0 215.300 2.389 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000123060942 386538137 /nfs/dbraw/zinc/53/81/37/386538137.db2.gz FYUOTYAETDGPBT-NEPJUHHUSA-N 1 0 247.338 2.246 20 30 BEEDRO C=CC[N@H+](CCC1OCCO1)Cc1ccccc1 ZINC000123635029 386554859 /nfs/dbraw/zinc/55/48/59/386554859.db2.gz IIWXAWWQKXYWIR-UHFFFAOYSA-N 1 0 247.338 2.438 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccccc1F ZINC000320570976 386621784 /nfs/dbraw/zinc/62/17/84/386621784.db2.gz VWBWTEUDQSMOTJ-GFCCVEGCSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000335511013 386644648 /nfs/dbraw/zinc/64/46/48/386644648.db2.gz BNWYXOKTGRFULP-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417377423 386647547 /nfs/dbraw/zinc/64/75/47/386647547.db2.gz DFCAZXSFONFPRD-QWRGUYRKSA-N 1 0 232.318 2.270 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCNc2ccccn2)C1 ZINC000442774466 386653181 /nfs/dbraw/zinc/65/31/81/386653181.db2.gz ZEVPJGGNZCHTJM-STQMWFEESA-N 1 0 244.342 2.165 20 30 BEEDRO C=C(C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000428122716 386665178 /nfs/dbraw/zinc/66/51/78/386665178.db2.gz ULRIZBGTGYTPFK-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cncn1CC ZINC000393801573 259692041 /nfs/dbraw/zinc/69/20/41/259692041.db2.gz SQDHDYXEUOAIGX-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO CC#CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000336647865 386676247 /nfs/dbraw/zinc/67/62/47/386676247.db2.gz CFGGDIMMVBBNOL-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336648069 386676355 /nfs/dbraw/zinc/67/63/55/386676355.db2.gz CJEDICZISUHQGN-AGIUHOORSA-N 1 0 224.348 2.065 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000647950818 386657740 /nfs/dbraw/zinc/65/77/40/386657740.db2.gz DYKQCUGKRVXKRD-ZDUSSCGKSA-N 1 0 214.312 2.284 20 30 BEEDRO C=C(C)C[N@H+](CCC(=O)OC)CC(C)C ZINC000050032103 386683909 /nfs/dbraw/zinc/68/39/09/386683909.db2.gz JIZXNXKUFWGYQR-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000330392089 386701845 /nfs/dbraw/zinc/70/18/45/386701845.db2.gz PNTVLECRZDUNRQ-CYBMUJFWSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CCOCC[N@@H+]1CCOc2ccccc2C1 ZINC000645078598 386704248 /nfs/dbraw/zinc/70/42/48/386704248.db2.gz ICQUYFVDDMZRAW-UHFFFAOYSA-N 1 0 233.311 2.084 20 30 BEEDRO C=C(C)CCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000452716017 386735617 /nfs/dbraw/zinc/73/56/17/386735617.db2.gz GBISMIZDDLCPMB-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@H](C)C[NH2+]C)cc1 ZINC000414839145 386740840 /nfs/dbraw/zinc/74/08/40/386740840.db2.gz LWNYBGLWTMEVDU-CYBMUJFWSA-N 1 0 248.370 2.197 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000645117484 386729652 /nfs/dbraw/zinc/72/96/52/386729652.db2.gz OINSXQWUYAMDOQ-OAHLLOKOSA-N 1 0 246.354 2.149 20 30 BEEDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442825621 386729867 /nfs/dbraw/zinc/72/98/67/386729867.db2.gz IUURACUQINDACQ-AGIUHOORSA-N 1 0 238.375 2.311 20 30 BEEDRO C=CCOc1cccc(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000414842073 386748445 /nfs/dbraw/zinc/74/84/45/386748445.db2.gz IKXSVJOPKKGXDG-AWEZNQCLSA-N 1 0 246.354 2.093 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@]1(C)CCOC1 ZINC000336663838 386761174 /nfs/dbraw/zinc/76/11/74/386761174.db2.gz KZHJTUNBWAHLLD-CYBMUJFWSA-N 1 0 224.348 2.333 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC2(C)C)cc1C#N ZINC000087824099 386766701 /nfs/dbraw/zinc/76/67/01/386766701.db2.gz QMOYFGCRQKCEAW-CYBMUJFWSA-N 1 0 230.311 2.455 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000450858334 386776075 /nfs/dbraw/zinc/77/60/75/386776075.db2.gz KTQDRKSIUPODSH-XQQFMLRXSA-N 1 0 246.354 2.227 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCC1(O)CCC1 ZINC000336666290 386777565 /nfs/dbraw/zinc/77/75/65/386777565.db2.gz LTLCDOXUEJCIKE-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)COC)cc1 ZINC000020087444 386788338 /nfs/dbraw/zinc/78/83/38/386788338.db2.gz UBMYPWIBROXIBF-LBPRGKRZSA-N 1 0 235.327 2.376 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cccc(C#N)n1 ZINC000229781392 386807405 /nfs/dbraw/zinc/80/74/05/386807405.db2.gz JGTQOXUQSPSATI-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)O ZINC000395291854 386808676 /nfs/dbraw/zinc/80/86/76/386808676.db2.gz ZHEFBGZHIFZLGQ-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H](C)O ZINC000395291846 386809275 /nfs/dbraw/zinc/80/92/75/386809275.db2.gz ZHEFBGZHIFZLGQ-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)OC ZINC000336670140 386810017 /nfs/dbraw/zinc/81/00/17/386810017.db2.gz AAGVLCUMDOYMQO-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000336671541 386811137 /nfs/dbraw/zinc/81/11/37/386811137.db2.gz HAGIWDRQFXWHNG-UHFFFAOYSA-N 1 0 232.318 2.272 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000330645386 386811392 /nfs/dbraw/zinc/81/13/92/386811392.db2.gz FCYGUZSAIVWETA-AAEUAGOBSA-N 1 0 233.315 2.116 20 30 BEEDRO C=CCCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000280692066 386838179 /nfs/dbraw/zinc/83/81/79/386838179.db2.gz RGJFKWONADLKQS-UHFFFAOYSA-N 1 0 233.315 2.388 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CCO)c1ccco1 ZINC000336674649 386847693 /nfs/dbraw/zinc/84/76/93/386847693.db2.gz AGBMUKSVWMDYMA-NSHDSACASA-N 1 0 209.289 2.259 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@](C)(O)C1CC1 ZINC000336675162 386854534 /nfs/dbraw/zinc/85/45/34/386854534.db2.gz PIFCAEDPVFOVAR-CYBMUJFWSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000638523751 386857483 /nfs/dbraw/zinc/85/74/83/386857483.db2.gz GGPCCXSFDNSHRE-WCQYABFASA-N 1 0 240.416 2.120 20 30 BEEDRO CC(C)[C@@H](O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000165166936 386875716 /nfs/dbraw/zinc/87/57/16/386875716.db2.gz UGYWMOYGAUBULM-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000334849522 386899036 /nfs/dbraw/zinc/89/90/36/386899036.db2.gz TWKXARGYUOCMGD-JTQLQIEISA-N 1 0 245.326 2.028 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1csc(C)n1 ZINC000222110202 533202743 /nfs/dbraw/zinc/20/27/43/533202743.db2.gz ROIMVWFXPJCYMA-VIFPVBQESA-N 1 0 240.397 2.469 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000418016538 386936957 /nfs/dbraw/zinc/93/69/57/386936957.db2.gz RFWDGGYNFKYWPG-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CCO1 ZINC000582176153 386938010 /nfs/dbraw/zinc/93/80/10/386938010.db2.gz FDTYFAIWDPUSFK-IHRRRGAJSA-N 1 0 249.358 2.223 20 30 BEEDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1cccc(C#N)c1 ZINC000184531831 386961408 /nfs/dbraw/zinc/96/14/08/386961408.db2.gz XPPUNTCEMSSFIL-GFCCVEGCSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@H](C)CC(C)C)nn1 ZINC000425356172 386968633 /nfs/dbraw/zinc/96/86/33/386968633.db2.gz PRZIGUSAEJHEDJ-GFCCVEGCSA-N 1 0 236.363 2.236 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)C1CC1 ZINC000417396282 386973447 /nfs/dbraw/zinc/97/34/47/386973447.db2.gz FVLAUCKIYYLEFT-RWMBFGLXSA-N 1 0 209.333 2.234 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000334928940 387003936 /nfs/dbraw/zinc/00/39/36/387003936.db2.gz KKIIOVZFRKKSFB-RYUDHWBXSA-N 1 0 217.316 2.352 20 30 BEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000398976014 387033245 /nfs/dbraw/zinc/03/32/45/387033245.db2.gz BMHCSCPMXSHDIW-IUODEOHRSA-N 1 0 244.338 2.098 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCCn1cncn1 ZINC000648446333 387036753 /nfs/dbraw/zinc/03/67/53/387036753.db2.gz BZMMBONQBUWLKK-ZDUSSCGKSA-N 1 0 236.363 2.393 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000193071668 387047810 /nfs/dbraw/zinc/04/78/10/387047810.db2.gz TXEAAIBMRKACAE-UPJWGTAASA-N 1 0 222.332 2.227 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCN2CCCCC2)C1 ZINC000192641542 387047735 /nfs/dbraw/zinc/04/77/35/387047735.db2.gz XTPBNZLZJJJKMY-KGLIPLIRSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](CCO)C1CC1 ZINC000305721478 387061379 /nfs/dbraw/zinc/06/13/79/387061379.db2.gz BLZBIBNTLRSLSC-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO CS[C@@H]1CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000425371482 387011875 /nfs/dbraw/zinc/01/18/75/387011875.db2.gz QGBWDAHSZAKQRP-NXEZZACHSA-N 1 0 210.346 2.164 20 30 BEEDRO CC[N@H+](CCNc1nc(C)ccc1C#N)C(C)C ZINC000342100294 387020427 /nfs/dbraw/zinc/02/04/27/387020427.db2.gz WBULSHCYOCOUQT-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCCC#N)C[C@H]1n1ccnc1 ZINC000246371296 387080117 /nfs/dbraw/zinc/08/01/17/387080117.db2.gz YLYOMJWMZUGPNS-ZIAGYGMSSA-N 1 0 246.358 2.460 20 30 BEEDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000425971994 387100825 /nfs/dbraw/zinc/10/08/25/387100825.db2.gz URMQIKKZZYEIEW-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CCCCOCC[NH+]1CCC(CC#N)CC1 ZINC000397230618 387109420 /nfs/dbraw/zinc/10/94/20/387109420.db2.gz MEJSUWSHOMELIU-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186683952 387122796 /nfs/dbraw/zinc/12/27/96/387122796.db2.gz OHUCTIKYFHYQMT-HNNXBMFYSA-N 1 0 227.307 2.141 20 30 BEEDRO COCC1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418140683 387165676 /nfs/dbraw/zinc/16/56/76/387165676.db2.gz JYNYLQVAMXFXPE-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000321419757 387172120 /nfs/dbraw/zinc/17/21/20/387172120.db2.gz KIKIIAQTPPAHCX-WCQYABFASA-N 1 0 235.327 2.370 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(F)cc1F ZINC000537023336 387173240 /nfs/dbraw/zinc/17/32/40/387173240.db2.gz VNDJJHLIUWILAF-SNVBAGLBSA-N 1 0 241.281 2.239 20 30 BEEDRO C=CC[C@H](CC)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418147740 387176570 /nfs/dbraw/zinc/17/65/70/387176570.db2.gz MMVLPAQNHOFSGK-NWDGAFQWSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H]1CC(=O)OC ZINC000571851692 387187049 /nfs/dbraw/zinc/18/70/49/387187049.db2.gz CMNNAQVVNQAZLR-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000393600657 259707111 /nfs/dbraw/zinc/70/71/11/259707111.db2.gz RNQVZPNESIGWLJ-UHFFFAOYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)N(C)CC ZINC000186815862 387140420 /nfs/dbraw/zinc/14/04/20/387140420.db2.gz PMGWLDZQCWVBDU-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CNCC[C@H]1C ZINC000423357523 387208711 /nfs/dbraw/zinc/20/87/11/387208711.db2.gz IFANLGGGRRHUIM-QNWHQSFQSA-N 1 0 210.365 2.175 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@@H](C)CCC#N ZINC000571979323 387215023 /nfs/dbraw/zinc/21/50/23/387215023.db2.gz CHZPAWGXDDABQL-LBPRGKRZSA-N 1 0 234.347 2.206 20 30 BEEDRO C=CCC[C@H](CC)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187826283 387216018 /nfs/dbraw/zinc/21/60/18/387216018.db2.gz KCEGBJWGDZWBLJ-HUBLWGQQSA-N 1 0 231.405 2.430 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[NH+](CCC)CC1 ZINC000424647488 387235605 /nfs/dbraw/zinc/23/56/05/387235605.db2.gz QRHADDAEWFMWKW-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000572119186 387239702 /nfs/dbraw/zinc/23/97/02/387239702.db2.gz XWWDXSNAZNWAHC-LSDHHAIUSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(CCC)CC[NH+](C)C ZINC000424681672 387246289 /nfs/dbraw/zinc/24/62/89/387246289.db2.gz LFPHESXEPZCVOF-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCC[C@H]1CC ZINC000120825232 387198416 /nfs/dbraw/zinc/19/84/16/387198416.db2.gz IMKXIPIPWVGDHX-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193324990 387200576 /nfs/dbraw/zinc/20/05/76/387200576.db2.gz GXERJBMLXGWPAZ-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@H](C#N)C1 ZINC000423380145 387261529 /nfs/dbraw/zinc/26/15/29/387261529.db2.gz GZHCSFXFKPCCHP-MELADBBJSA-N 1 0 249.402 2.437 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)C1CCOCC1 ZINC000459730412 387275770 /nfs/dbraw/zinc/27/57/70/387275770.db2.gz MAPFFDIXBQZVNV-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000643499283 387279701 /nfs/dbraw/zinc/27/97/01/387279701.db2.gz WBDMLZQJTKKTBE-NXEZZACHSA-N 1 0 218.300 2.011 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000572235970 387283038 /nfs/dbraw/zinc/28/30/38/387283038.db2.gz QHAUWMBPSOIXNN-XQQFMLRXSA-N 1 0 224.348 2.065 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000514790146 387287571 /nfs/dbraw/zinc/28/75/71/387287571.db2.gz WFWMDSUBBNJLOB-ZDUSSCGKSA-N 1 0 215.300 2.175 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000514797772 387294193 /nfs/dbraw/zinc/29/41/93/387294193.db2.gz DIGXRNIISMGSKV-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1cnccc1CC[NH2+]Cc1ccc(C#N)o1 ZINC000269966769 387296046 /nfs/dbraw/zinc/29/60/46/387296046.db2.gz KCXJQIODZMQFNC-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459801241 387301664 /nfs/dbraw/zinc/30/16/64/387301664.db2.gz KTGUOEYQWLQJCH-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCCN1 ZINC000643502025 387356976 /nfs/dbraw/zinc/35/69/76/387356976.db2.gz WHTYJUCUCMMXNM-XQQFMLRXSA-N 1 0 210.365 2.319 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC000514989907 387320138 /nfs/dbraw/zinc/32/01/38/387320138.db2.gz VCWFPPFYOQOIFA-MRVWCRGKSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000611382031 387323909 /nfs/dbraw/zinc/32/39/09/387323909.db2.gz FRWMGGARIFVFEH-RISCZKNCSA-N 1 0 230.311 2.146 20 30 BEEDRO C#CC[C@H]([NH2+]CCn1ccnc1)c1ccccc1 ZINC000271689803 387445560 /nfs/dbraw/zinc/44/55/60/387445560.db2.gz KDHQLDLYYCVDAY-HNNXBMFYSA-N 1 0 239.322 2.237 20 30 BEEDRO C#CC[C@H]([NH2+]CCn1cccn1)c1ccccc1 ZINC000271648363 387446595 /nfs/dbraw/zinc/44/65/95/387446595.db2.gz ASISUOJHWQBWKN-HNNXBMFYSA-N 1 0 239.322 2.237 20 30 BEEDRO Cn1cc(C[N@@H+]2CCSC(C)(C)C2)cc1C#N ZINC000191379076 387386868 /nfs/dbraw/zinc/38/68/68/387386868.db2.gz XYRPAMOTFARFSQ-UHFFFAOYSA-N 1 0 249.383 2.224 20 30 BEEDRO C=C1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000264438984 387391029 /nfs/dbraw/zinc/39/10/29/387391029.db2.gz FEWWIHMOZVQDCN-UHFFFAOYSA-N 1 0 219.332 2.189 20 30 BEEDRO COc1cc(C[NH2+]C(C)(C)CF)ccc1C#N ZINC000440615474 387393361 /nfs/dbraw/zinc/39/33/61/387393361.db2.gz PLLUAWRJYVQHKT-UHFFFAOYSA-N 1 0 236.290 2.405 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc(OC)s1 ZINC000313503633 387402241 /nfs/dbraw/zinc/40/22/41/387402241.db2.gz LVLOXHLSPXBJPI-UHFFFAOYSA-N 1 0 212.318 2.208 20 30 BEEDRO C#CCN(CC)Cc1cn2cc(C)ccc2n1 ZINC000267672970 387411381 /nfs/dbraw/zinc/41/13/81/387411381.db2.gz ZSBSXRLYWDILBC-UHFFFAOYSA-N 1 0 227.311 2.098 20 30 BEEDRO CC1(C)C[N@H+](CCCSCC#N)CCS1 ZINC000083417353 387416337 /nfs/dbraw/zinc/41/63/37/387416337.db2.gz VLUVCDDGXATPAJ-UHFFFAOYSA-N 1 0 244.429 2.461 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCn1ccnc1C ZINC000269693538 387420545 /nfs/dbraw/zinc/42/05/45/387420545.db2.gz JDENQLFUXJACEY-UHFFFAOYSA-N 1 0 221.348 2.480 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc2cccnc2o1 ZINC000648509876 387494543 /nfs/dbraw/zinc/49/45/43/387494543.db2.gz HHPGUAHPZADZEH-UHFFFAOYSA-N 1 0 232.283 2.120 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000192790264 387501362 /nfs/dbraw/zinc/50/13/62/387501362.db2.gz LBHQGPUMJWDSIK-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000192708338 387523800 /nfs/dbraw/zinc/52/38/00/387523800.db2.gz JLDPLUXJQVLGPG-AGIUHOORSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](C)O ZINC000192690489 387524092 /nfs/dbraw/zinc/52/40/92/387524092.db2.gz UIVKBGKCTJWTTC-SNVBAGLBSA-N 1 0 211.330 2.117 20 30 BEEDRO COC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000276801793 387524729 /nfs/dbraw/zinc/52/47/29/387524729.db2.gz MPEVOUBHQILPHJ-OAHLLOKOSA-N 1 0 229.323 2.006 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293553182 387527152 /nfs/dbraw/zinc/52/71/52/387527152.db2.gz ZFFUBSFVKZDWIF-MNOVXSKESA-N 1 0 230.311 2.407 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000293553180 387528048 /nfs/dbraw/zinc/52/80/48/387528048.db2.gz ZFFUBSFVKZDWIF-GHMZBOCLSA-N 1 0 230.311 2.407 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648084783 387532772 /nfs/dbraw/zinc/53/27/72/387532772.db2.gz ZQBLWMJVBQPVAK-GZMMTYOYSA-N 1 0 238.718 2.031 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000426114654 387540223 /nfs/dbraw/zinc/54/02/23/387540223.db2.gz PVXMIZDHBKATFS-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000274042692 387463413 /nfs/dbraw/zinc/46/34/13/387463413.db2.gz AXFJQZYPBPNEFM-UHFFFAOYSA-N 1 0 215.296 2.298 20 30 BEEDRO C#CC[N@@H+](CCC(=O)Nc1ccccc1)C1CC1 ZINC000274242936 387465305 /nfs/dbraw/zinc/46/53/05/387465305.db2.gz YBFZEUDATPFTKV-UHFFFAOYSA-N 1 0 242.322 2.113 20 30 BEEDRO Cc1c(F)cccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424083389 387481933 /nfs/dbraw/zinc/48/19/33/387481933.db2.gz AXTBQYHKODRMCE-LLVKDONJSA-N 1 0 249.289 2.094 20 30 BEEDRO C=CCCCC[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000274540145 387482797 /nfs/dbraw/zinc/48/27/97/387482797.db2.gz UARXIEQPGUFRLA-ZDUSSCGKSA-N 1 0 232.327 2.159 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)CC)C1CC1 ZINC000121056031 134603216 /nfs/dbraw/zinc/60/32/16/134603216.db2.gz GFQCMRYMCLMWJT-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccc(C#N)cc1 ZINC000293752816 387588034 /nfs/dbraw/zinc/58/80/34/387588034.db2.gz RMSABYOZSCYROJ-UONOGXRCSA-N 1 0 232.327 2.370 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[C@@H]1O ZINC000270220039 387590933 /nfs/dbraw/zinc/59/09/33/387590933.db2.gz YZVLNFAABWWRRS-CABCVRRESA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCCCC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000580414077 387594226 /nfs/dbraw/zinc/59/42/26/387594226.db2.gz HQQWAFNPUPJZMV-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC000035055294 387553147 /nfs/dbraw/zinc/55/31/47/387553147.db2.gz INMXYACSAHJIAH-CQSZACIVSA-N 1 0 215.296 2.369 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)CC(C)(C)COC ZINC000426397069 387564731 /nfs/dbraw/zinc/56/47/31/387564731.db2.gz ROZNQKLFOQKDGT-LLVKDONJSA-N 1 0 212.337 2.141 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426454949 387568550 /nfs/dbraw/zinc/56/85/50/387568550.db2.gz RELWMCRCICZAEI-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO CC(C)[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000293828701 387634541 /nfs/dbraw/zinc/63/45/41/387634541.db2.gz AMHUYRBHXIOGSA-CQSZACIVSA-N 1 0 248.326 2.398 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)C1CCCC1 ZINC000327996123 387636890 /nfs/dbraw/zinc/63/68/90/387636890.db2.gz MOJCPEXEQLSKQK-CYBMUJFWSA-N 1 0 222.376 2.110 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1ccn(C)n1 ZINC000430747164 387647648 /nfs/dbraw/zinc/64/76/48/387647648.db2.gz WBPKOQNKPKZBIJ-LLVKDONJSA-N 1 0 232.331 2.155 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000451910319 387677883 /nfs/dbraw/zinc/67/78/83/387677883.db2.gz MVSKFPQQFMEAIE-RDBSUJKOSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000451939914 387683904 /nfs/dbraw/zinc/68/39/04/387683904.db2.gz WXRDCLHPQWWJIE-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000044688865 387688615 /nfs/dbraw/zinc/68/86/15/387688615.db2.gz LPNJXXMVMXSUOJ-LLVKDONJSA-N 1 0 218.300 2.073 20 30 BEEDRO CC(C)N1CC[C@H]([N@H+](C)CCCCC#N)C1 ZINC000452115792 387745868 /nfs/dbraw/zinc/74/58/68/387745868.db2.gz MALQBNDNTIAMCU-ZDUSSCGKSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@]12C[N@H+](CCOCCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452057262 387717477 /nfs/dbraw/zinc/71/74/77/387717477.db2.gz YILUMIBGLFNJCC-LXTVHRRPSA-N 1 0 248.370 2.285 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](COC)CC1 ZINC000452073257 387724585 /nfs/dbraw/zinc/72/45/85/387724585.db2.gz ASKNMODVRGHXRV-KBPBESRZSA-N 1 0 241.375 2.062 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1c(F)cc(C#N)cc1F ZINC000168796743 387733733 /nfs/dbraw/zinc/73/37/33/387733733.db2.gz LVPDBMFDWIFVSO-QMMMGPOBSA-N 1 0 239.269 2.198 20 30 BEEDRO C=CCCC[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000452102559 387734373 /nfs/dbraw/zinc/73/43/73/387734373.db2.gz GHBHUMCHCAWRFH-NWDGAFQWSA-N 1 0 209.333 2.309 20 30 BEEDRO C=C(CC)C[N@H+](CC(=O)OC)C1CCCC1 ZINC000157108914 387737096 /nfs/dbraw/zinc/73/70/96/387737096.db2.gz OBPLHGYZBKVLTD-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(CC)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452113955 387741868 /nfs/dbraw/zinc/74/18/68/387741868.db2.gz JATWYTVCRLUKNR-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527912874 387765804 /nfs/dbraw/zinc/76/58/04/387765804.db2.gz WFPJEWVBBCWANE-RVMXOQNASA-N 1 0 221.344 2.356 20 30 BEEDRO C=CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000422915171 387774030 /nfs/dbraw/zinc/77/40/30/387774030.db2.gz XKUIHNANDWICDW-LBPRGKRZSA-N 1 0 232.327 2.015 20 30 BEEDRO Cn1cc(C[NH2+]CCC(C)(F)F)cc1C#N ZINC000294326866 387784197 /nfs/dbraw/zinc/78/41/97/387784197.db2.gz XHHGUEWIULGQPP-UHFFFAOYSA-N 1 0 227.258 2.032 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527922768 387791428 /nfs/dbraw/zinc/79/14/28/387791428.db2.gz BDRDBGHKNSPVCS-BFHYXJOUSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@H](C)N ZINC000422983296 387794315 /nfs/dbraw/zinc/79/43/15/387794315.db2.gz SQUUCXRQVCNORW-YDHLFZDLSA-N 1 0 232.371 2.499 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1F)CC1(O)CCC1 ZINC000353467934 387795221 /nfs/dbraw/zinc/79/52/21/387795221.db2.gz NIUQDOQQLYJIKD-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C[C@H](N[C@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999865 387805763 /nfs/dbraw/zinc/80/57/63/387805763.db2.gz TWGLVWKSSWQFGE-SWLSCSKDSA-N 1 0 243.354 2.229 20 30 BEEDRO CN(C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442634966 387809539 /nfs/dbraw/zinc/80/95/39/387809539.db2.gz ICUGZIALGNDVSI-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO CCN1C[C@@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389442 387757992 /nfs/dbraw/zinc/75/79/92/387757992.db2.gz ZLSQXHCVLDETLR-XSCHDIRWSA-N 1 0 249.402 2.246 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000353223519 387759918 /nfs/dbraw/zinc/75/99/18/387759918.db2.gz WSOWRVHIYPWRLP-LBPRGKRZSA-N 1 0 232.327 2.333 20 30 BEEDRO N#CCCCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000564078186 387821402 /nfs/dbraw/zinc/82/14/02/387821402.db2.gz QBVFBBSASXDRII-HNNXBMFYSA-N 1 0 246.354 2.264 20 30 BEEDRO CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442709964 387827103 /nfs/dbraw/zinc/82/71/03/387827103.db2.gz BMPZJHOQZIZQFE-ILXRZTDVSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000564095204 387827405 /nfs/dbraw/zinc/82/74/05/387827405.db2.gz RNECELUSFAQGFA-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCC[C@@H](C)C1 ZINC000442719231 387828191 /nfs/dbraw/zinc/82/81/91/387828191.db2.gz RHORJQGDCKWWNA-APIJFGDWSA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@H]([NH2+]CC1COC1)c1ccc(C#N)cc1 ZINC000528024257 387828445 /nfs/dbraw/zinc/82/84/45/387828445.db2.gz DENCRUNVUPMMML-AWEZNQCLSA-N 1 0 230.311 2.245 20 30 BEEDRO C[C@H](CN1CCCCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442726301 387831439 /nfs/dbraw/zinc/83/14/39/387831439.db2.gz RVJXQFSIMHYYGE-RDBSUJKOSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000442777549 387837367 /nfs/dbraw/zinc/83/73/67/387837367.db2.gz DHQIBWUMXPWFKD-IACUBPJLSA-N 1 0 230.311 2.002 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3OCC[C@@H]32)C1 ZINC000442777496 387837713 /nfs/dbraw/zinc/83/77/13/387837713.db2.gz IWNZTJNRESRDJO-XVIXHAIJSA-N 1 0 234.343 2.226 20 30 BEEDRO CC(C)Cn1ccnc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442778123 387837801 /nfs/dbraw/zinc/83/78/01/387837801.db2.gz FPNDNWSUDJWPJW-STQMWFEESA-N 1 0 246.358 2.321 20 30 BEEDRO CC(C)n1cncc1C[NH2+]CCCCC#N ZINC000424159452 387838514 /nfs/dbraw/zinc/83/85/14/387838514.db2.gz SVQKMHUNJUVULY-UHFFFAOYSA-N 1 0 220.320 2.247 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442779234 387838852 /nfs/dbraw/zinc/83/88/52/387838852.db2.gz LORKNPFCCVVFCG-MNOVXSKESA-N 1 0 238.331 2.000 20 30 BEEDRO C[N@@H+](Cc1cc(F)ccc1C#N)C[C@@H]1CCOC1 ZINC000160966366 387839604 /nfs/dbraw/zinc/83/96/04/387839604.db2.gz NVPULYVAHDOLME-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO COC1CCC(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442789688 387840918 /nfs/dbraw/zinc/84/09/18/387840918.db2.gz KCHIDRNTMKUGSC-DKNRTOFZSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442798401 387844462 /nfs/dbraw/zinc/84/44/62/387844462.db2.gz WXCOEMIHOKPWOQ-KWCYVHTRSA-N 1 0 246.358 2.110 20 30 BEEDRO Cc1cccc(NCC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000442834441 387848264 /nfs/dbraw/zinc/84/82/64/387848264.db2.gz DGMSHPDKGMKRCG-STQMWFEESA-N 1 0 244.342 2.084 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC000442854770 387851344 /nfs/dbraw/zinc/85/13/44/387851344.db2.gz LJEBUBURPIHPOO-SWHYSGLUSA-N 1 0 248.301 2.141 20 30 BEEDRO Cc1cccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000442866786 387853134 /nfs/dbraw/zinc/85/31/34/387853134.db2.gz XBQVPUAVWUVFIF-OCCSQVGLSA-N 1 0 229.327 2.214 20 30 BEEDRO COC[C@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000442865454 387853434 /nfs/dbraw/zinc/85/34/34/387853434.db2.gz FXDWGTCYFJCUPP-YIZWMMSDSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cccn(CC)c1=O ZINC000433064093 387860282 /nfs/dbraw/zinc/86/02/82/387860282.db2.gz VUDDCEROWCDSSY-GFCCVEGCSA-N 1 0 234.343 2.313 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000424172931 387869288 /nfs/dbraw/zinc/86/92/88/387869288.db2.gz MIURNFZCLWDLFW-WCYDHSITSA-N 1 0 244.338 2.276 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000448691247 387872348 /nfs/dbraw/zinc/87/23/48/387872348.db2.gz PNASDABCXALQGH-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN(Cc1ccccc1F)C[C@@H](C)[NH3+] ZINC000442663349 387816380 /nfs/dbraw/zinc/81/63/80/387816380.db2.gz JSKAALNNNRAOIB-LLVKDONJSA-N 1 0 222.307 2.161 20 30 BEEDRO CO[C@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353598723 387816981 /nfs/dbraw/zinc/81/69/81/387816981.db2.gz UNQDPBFZFSRJOS-QMTHXVAHSA-N 1 0 230.311 2.170 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000528008322 387819721 /nfs/dbraw/zinc/81/97/21/387819721.db2.gz SCIXEGJLRCJEGJ-QQOHENMQSA-N 1 0 236.359 2.470 20 30 BEEDRO C[C@H](C#N)CN(CCC[NH+]1CCCCC1)C1CC1 ZINC000444605405 387890719 /nfs/dbraw/zinc/89/07/19/387890719.db2.gz DFRZYAGWXUPSLJ-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO Cc1cccc(F)c1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424179998 387891742 /nfs/dbraw/zinc/89/17/42/387891742.db2.gz MUCHZJMVPLHTEO-NSHDSACASA-N 1 0 249.289 2.094 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000452719891 387897457 /nfs/dbraw/zinc/89/74/57/387897457.db2.gz UTYTVJSXRPGSLX-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(C)s1 ZINC000424174423 387875630 /nfs/dbraw/zinc/87/56/30/387875630.db2.gz OGVXILABTULRCF-JQWIXIFHSA-N 1 0 238.356 2.132 20 30 BEEDRO C[NH+](C)C1CCN(Cc2ccccc2C#N)CC1 ZINC000036192114 387876234 /nfs/dbraw/zinc/87/62/34/387876234.db2.gz VVXJIMQHHAXELM-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC1CC1)c1ccc(Cl)cc1 ZINC000262383960 533220195 /nfs/dbraw/zinc/22/01/95/533220195.db2.gz PLEDYLUAODAGNU-GFCCVEGCSA-N 1 0 247.729 2.081 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CCC2(COC2)CC1 ZINC001172491710 974839860 /nfs/dbraw/zinc/83/98/60/974839860.db2.gz GSFSTLQKJDWQID-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@H]1N(C(=O)C[NH+](C)C)CCCC1(C)C ZINC000444642538 387898602 /nfs/dbraw/zinc/89/86/02/387898602.db2.gz IHWAWUFNMSCFRR-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](Nc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163701 387903788 /nfs/dbraw/zinc/90/37/88/387903788.db2.gz UQWLYPXVJLQKDY-WCQYABFASA-N 1 0 229.327 2.358 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CNCC[C@@H]1C ZINC000423132019 387909856 /nfs/dbraw/zinc/90/98/56/387909856.db2.gz IROZAAFMCHMUQO-NWDGAFQWSA-N 1 0 210.365 2.176 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000452775921 387915763 /nfs/dbraw/zinc/91/57/63/387915763.db2.gz PYSMLOZBFMWFDV-GFCCVEGCSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[C@@H]1[N@H+](C[C@@H](O)COC)CCCC1(C)C ZINC000444780239 387929453 /nfs/dbraw/zinc/92/94/53/387929453.db2.gz ZYLNQVROYMLKDF-OLZOCXBDSA-N 1 0 241.375 2.060 20 30 BEEDRO CC(C)Cn1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424209062 387930260 /nfs/dbraw/zinc/93/02/60/387930260.db2.gz YZIJNBFLBDGZNC-GXTWGEPZSA-N 1 0 246.358 2.321 20 30 BEEDRO C=CC[C@@H]1[N@@H+](CCOCCO)CCCC1(C)C ZINC000444781192 387930324 /nfs/dbraw/zinc/93/03/24/387930324.db2.gz GIGSKKBQECLACG-ZDUSSCGKSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC(C)(C)CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000452786656 387920812 /nfs/dbraw/zinc/92/08/12/387920812.db2.gz YJFHFVGLUUKPCD-UHFFFAOYSA-N 1 0 243.310 2.276 20 30 BEEDRO Cc1cc(F)cc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424199689 387927367 /nfs/dbraw/zinc/92/73/67/387927367.db2.gz ZFMMMUGJCBECPX-LBPRGKRZSA-N 1 0 249.289 2.094 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC#N)C[C@H]2C1 ZINC000424283195 387953471 /nfs/dbraw/zinc/95/34/71/387953471.db2.gz RKCBDIGYXYKJMG-PPANGVADSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cnccc1N ZINC000423158862 387938032 /nfs/dbraw/zinc/93/80/32/387938032.db2.gz XFMHGDCORDUZCS-JTQLQIEISA-N 1 0 205.305 2.111 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000321085947 387945460 /nfs/dbraw/zinc/94/54/60/387945460.db2.gz CKIXBVLRYLGBMU-AWEZNQCLSA-N 1 0 249.354 2.426 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCCC#N)C[C@H]2C1 ZINC000424273051 387948392 /nfs/dbraw/zinc/94/83/92/387948392.db2.gz SBGWQDNCXUPGHO-COVPZLACSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCCC[C@H]2C)nn1 ZINC000424298535 387958177 /nfs/dbraw/zinc/95/81/77/387958177.db2.gz SOUUSCSYVFETET-DGCLKSJQSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)nn1 ZINC000424298636 387958689 /nfs/dbraw/zinc/95/86/89/387958689.db2.gz STTBMHYJONHLQB-SGMGOOAPSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)nn1 ZINC000424301002 387960309 /nfs/dbraw/zinc/96/03/09/387960309.db2.gz YZMHSHNDLSIVRM-ZIAGYGMSSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cn(CC=C)nn1 ZINC000424300160 387960624 /nfs/dbraw/zinc/96/06/24/387960624.db2.gz WZKBXRYQWFEBLC-NEPJUHHUSA-N 1 0 234.347 2.154 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC23CCCC3)nn1 ZINC000424300259 387961061 /nfs/dbraw/zinc/96/10/61/387961061.db2.gz XGEVSWHQBOUNKE-ZDUSSCGKSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1nccc(OC)n1 ZINC000424308819 387963386 /nfs/dbraw/zinc/96/33/86/387963386.db2.gz PLZDGSIGULVNHY-NSHDSACASA-N 1 0 235.331 2.320 20 30 BEEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)nn1C ZINC000424319077 387969723 /nfs/dbraw/zinc/96/97/23/387969723.db2.gz DLWFVVWVDYRDBS-SDDRHHMPSA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCN(C)C(=O)C1 ZINC000424319757 387970226 /nfs/dbraw/zinc/97/02/26/387970226.db2.gz HETUQOAGYYKBMW-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cnccc1N ZINC000423170480 387956752 /nfs/dbraw/zinc/95/67/52/387956752.db2.gz MEACXMVABMZHFP-JTQLQIEISA-N 1 0 232.331 2.085 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424337497 387979946 /nfs/dbraw/zinc/97/99/46/387979946.db2.gz ZFSSSZOGHLMGST-ZBAXXZLZSA-N 1 0 204.317 2.457 20 30 BEEDRO COC[C@@H](CC(C)C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424335013 387978282 /nfs/dbraw/zinc/97/82/82/387978282.db2.gz WDCRYWBMZLLBFS-YNEHKIRRSA-N 1 0 224.348 2.329 20 30 BEEDRO CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)CO ZINC000339629529 135076451 /nfs/dbraw/zinc/07/64/51/135076451.db2.gz UAVKWDWMYRGGPN-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CCC[C@@H](N[C@H]1CC[NH2+]C1)c1ccco1 ZINC000423208901 387993676 /nfs/dbraw/zinc/99/36/76/387993676.db2.gz FJXGIRXQOMHRTL-NWDGAFQWSA-N 1 0 220.316 2.238 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCn2cccc2[C@H]1C ZINC000246029012 388002311 /nfs/dbraw/zinc/00/23/11/388002311.db2.gz PGPMHDQSYORXQQ-OLZOCXBDSA-N 1 0 234.343 2.192 20 30 BEEDRO C=C(C)CNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424417992 388006281 /nfs/dbraw/zinc/00/62/81/388006281.db2.gz AMPQDCPBVJKUSE-UHFFFAOYSA-N 1 0 233.315 2.151 20 30 BEEDRO C#CC[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000065957211 388010191 /nfs/dbraw/zinc/01/01/91/388010191.db2.gz FMDPNVFACVWWJX-UHFFFAOYSA-N 1 0 228.339 2.220 20 30 BEEDRO C[C@@H]1[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CCCN1C ZINC000446763564 388037783 /nfs/dbraw/zinc/03/77/83/388037783.db2.gz WXDKMNVASQNYLG-ZOBORPQBSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000453269015 388029691 /nfs/dbraw/zinc/02/96/91/388029691.db2.gz LLXVGHAVAYFUQM-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](N)c2ccccc2)C1 ZINC000423248428 388031966 /nfs/dbraw/zinc/03/19/66/388031966.db2.gz RTVZPVKQHIOONB-VHDGCEQUSA-N 1 0 243.354 2.358 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000453338571 388052326 /nfs/dbraw/zinc/05/23/26/388052326.db2.gz GQYDSDMGOBYPQU-LOWDOPEQSA-N 1 0 247.342 2.212 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1nccnc1C ZINC000453355241 388057382 /nfs/dbraw/zinc/05/73/82/388057382.db2.gz NTJCWFDQNKGZHV-UPJWGTAASA-N 1 0 247.342 2.169 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cnccc1C ZINC000453371805 388062977 /nfs/dbraw/zinc/06/29/77/388062977.db2.gz UYVIVQBRBHQYPT-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C1CCC1)C1CC1 ZINC000453377641 388063697 /nfs/dbraw/zinc/06/36/97/388063697.db2.gz JELVUBDGTYUZOC-UONOGXRCSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000453383538 388065951 /nfs/dbraw/zinc/06/59/51/388065951.db2.gz ZAXOUCXBWBBQQZ-NSHDSACASA-N 1 0 207.321 2.345 20 30 BEEDRO CCC(C)(C)OCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000453400704 388072573 /nfs/dbraw/zinc/07/25/73/388072573.db2.gz CSRNAIDKYXLXAC-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@H+](C1CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000447888344 388099122 /nfs/dbraw/zinc/09/91/22/388099122.db2.gz JOSJJUPDMMCSTD-CYBMUJFWSA-N 1 0 236.359 2.036 20 30 BEEDRO CC#CCN(C)[C@@H]1CCCC[C@@H]1[N@H+](C)CC#CC ZINC000464488293 388099985 /nfs/dbraw/zinc/09/99/85/388099985.db2.gz SPCXFSHKAGSZCK-IYBDPMFKSA-N 1 0 246.398 2.208 20 30 BEEDRO CC#CCN(C)[C@H]1CCCC[C@@H]1[N@H+](C)CC#CC ZINC000464488291 388100126 /nfs/dbraw/zinc/10/01/26/388100126.db2.gz SPCXFSHKAGSZCK-HOTGVXAUSA-N 1 0 246.398 2.208 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000453320155 388045207 /nfs/dbraw/zinc/04/52/07/388045207.db2.gz OJJJDWLOBYHLAT-LBPRGKRZSA-N 1 0 207.321 2.427 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449189702 388155516 /nfs/dbraw/zinc/15/55/16/388155516.db2.gz MWMDMQSNZRSORQ-SECBINFHSA-N 1 0 236.315 2.164 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCNc1cnccn1 ZINC000449192872 388155786 /nfs/dbraw/zinc/15/57/86/388155786.db2.gz RRKKRRAKVKSWFT-CYBMUJFWSA-N 1 0 248.374 2.035 20 30 BEEDRO CC#CCC[NH2+]Cc1cc2cccnc2o1 ZINC000449221328 388159155 /nfs/dbraw/zinc/15/91/55/388159155.db2.gz AGYBJZNBWGCMBV-UHFFFAOYSA-N 1 0 214.268 2.331 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449233455 388160045 /nfs/dbraw/zinc/16/00/45/388160045.db2.gz LRCNJEUZUXDOAM-IALDZJHCSA-N 1 0 224.348 2.208 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000449247867 388161201 /nfs/dbraw/zinc/16/12/01/388161201.db2.gz HGCAGWRUGYFTBS-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC[NH2+]Cc1ccnn1C1CCCC1 ZINC000449268993 388164349 /nfs/dbraw/zinc/16/43/49/388164349.db2.gz KZZJNSAKRIKFRD-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO COCC1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000449296867 388169011 /nfs/dbraw/zinc/16/90/11/388169011.db2.gz ASBFEFNXRMJMEA-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000449295870 388169105 /nfs/dbraw/zinc/16/91/05/388169105.db2.gz VTZPDJUIWZCVGZ-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000449324904 388173630 /nfs/dbraw/zinc/17/36/30/388173630.db2.gz IDSQGIVFKXLUJV-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000448918886 388120747 /nfs/dbraw/zinc/12/07/47/388120747.db2.gz WHGVAEIOXMKMGY-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](CCO)c1ccccc1F ZINC000646067362 388136500 /nfs/dbraw/zinc/13/65/00/388136500.db2.gz VAFPNXKROWYFTM-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)NCCC ZINC000449058424 388136993 /nfs/dbraw/zinc/13/69/93/388136993.db2.gz JAJVGKKMCHHDPV-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nnc2n1CCC2 ZINC000449071229 388139185 /nfs/dbraw/zinc/13/91/85/388139185.db2.gz GSSDOZBJFNUASW-GFCCVEGCSA-N 1 0 248.374 2.449 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCC[S@](C)=O ZINC000449164127 388151140 /nfs/dbraw/zinc/15/11/40/388151140.db2.gz YBDRAPXXQUENSK-DOMZBBRYSA-N 1 0 231.405 2.480 20 30 BEEDRO CC(C)(CCO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449166640 388152063 /nfs/dbraw/zinc/15/20/63/388152063.db2.gz FGZXNEWKRAHPEQ-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO COCC#CC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000646139539 388152957 /nfs/dbraw/zinc/15/29/57/388152957.db2.gz XPQDKWTVQSFAFF-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCN(C)C1=O ZINC000449180206 388154134 /nfs/dbraw/zinc/15/41/34/388154134.db2.gz YVEWSJFNNQZLIJ-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@@H+](CC[C@@H]1CCOC1=O)C1CCCCC1 ZINC000490779250 388254216 /nfs/dbraw/zinc/25/42/16/388254216.db2.gz UJDHWDJWNSBPRN-CYBMUJFWSA-N 1 0 249.354 2.208 20 30 BEEDRO C#CCN(CC#C)Cc1ccc(CF)cc1 ZINC000490924506 388260735 /nfs/dbraw/zinc/26/07/35/388260735.db2.gz QBJMFWFBOSROMW-UHFFFAOYSA-N 1 0 215.271 2.225 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000400290748 388257849 /nfs/dbraw/zinc/25/78/49/388257849.db2.gz NUAIIWVTPQCQOV-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316413 388258058 /nfs/dbraw/zinc/25/80/58/388258058.db2.gz LTBPDCPWRRMFGW-CHWSQXEVSA-N 1 0 248.351 2.277 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000192956414 388258511 /nfs/dbraw/zinc/25/85/11/388258511.db2.gz BOWXXMKYZUFBSQ-YIYPIFLZSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449428469 388203259 /nfs/dbraw/zinc/20/32/59/388203259.db2.gz RECOCTAUJOPESO-FRRDWIJNSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCN(Cc1csnn1)C1CCCCC1 ZINC000490897496 388259039 /nfs/dbraw/zinc/25/90/39/388259039.db2.gz BZPKWYVUHLLCFI-UHFFFAOYSA-N 1 0 235.356 2.306 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCC(=O)OC(C)C ZINC000489423555 388212498 /nfs/dbraw/zinc/21/24/98/388212498.db2.gz HXBKFFSKALOEBJ-LBPRGKRZSA-N 1 0 225.332 2.369 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000449469475 388212811 /nfs/dbraw/zinc/21/28/11/388212811.db2.gz MPYMYOGZRRJRDL-LBPRGKRZSA-N 1 0 246.301 2.018 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1C=C ZINC000489430815 388213648 /nfs/dbraw/zinc/21/36/48/388213648.db2.gz DNOASSCBUOPWGX-CQSZACIVSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1 ZINC000489433718 388214049 /nfs/dbraw/zinc/21/40/49/388214049.db2.gz KUSFXLRTNPVYNP-CQSZACIVSA-N 1 0 244.338 2.326 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnccc1N(C)C ZINC000449480828 388215607 /nfs/dbraw/zinc/21/56/07/388215607.db2.gz ZXKLIRHCMGUIQN-UHFFFAOYSA-N 1 0 219.332 2.203 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000449485351 388215847 /nfs/dbraw/zinc/21/58/47/388215847.db2.gz MBZQXEMYHIGQAJ-UHFFFAOYSA-N 1 0 230.315 2.211 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)Cn1cccn1 ZINC000449485969 388216166 /nfs/dbraw/zinc/21/61/66/388216166.db2.gz PNLVIZHWKXROAK-LLVKDONJSA-N 1 0 207.321 2.073 20 30 BEEDRO CC(C)[N@H+](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000456735990 388218190 /nfs/dbraw/zinc/21/81/90/388218190.db2.gz QWIQXYLMVKOLAX-UHFFFAOYSA-N 1 0 245.326 2.031 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCn1ccnc1C ZINC000489504465 388220211 /nfs/dbraw/zinc/22/02/11/388220211.db2.gz AFFQJMVKLRDLAW-CYBMUJFWSA-N 1 0 219.332 2.232 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(CC)s1 ZINC000449516561 388221805 /nfs/dbraw/zinc/22/18/05/388221805.db2.gz BASUEETWYNTSEL-MNOVXSKESA-N 1 0 238.356 2.139 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)s1 ZINC000449523086 388221929 /nfs/dbraw/zinc/22/19/29/388221929.db2.gz WMLFDHWXWQYJOR-NEPJUHHUSA-N 1 0 223.341 2.490 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000449516581 388222153 /nfs/dbraw/zinc/22/21/53/388222153.db2.gz BDLRJUONDHEHSR-KGLIPLIRSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000449518389 388222417 /nfs/dbraw/zinc/22/24/17/388222417.db2.gz JGYVXFCVTZDYTG-OLZOCXBDSA-N 1 0 239.265 2.398 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000449518231 388222499 /nfs/dbraw/zinc/22/24/99/388222499.db2.gz ISZPMQVUKPFKFR-FVCCEPFGSA-N 1 0 241.400 2.450 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449520142 388222613 /nfs/dbraw/zinc/22/26/13/388222613.db2.gz OIVPRWUSDCVMNG-OLZOCXBDSA-N 1 0 248.282 2.028 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449522585 388223147 /nfs/dbraw/zinc/22/31/47/388223147.db2.gz VOFXHSPYNPPWAZ-SCRDCRAPSA-N 1 0 232.327 2.384 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449523097 388223231 /nfs/dbraw/zinc/22/32/31/388223231.db2.gz WNUHKLPHYUNHST-OLZOCXBDSA-N 1 0 248.282 2.028 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)Cc1ccoc1 ZINC000449523199 388223606 /nfs/dbraw/zinc/22/36/06/388223606.db2.gz WUQSSEKSVBEHPH-UHTWSYAYSA-N 1 0 221.300 2.144 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000449521253 388223707 /nfs/dbraw/zinc/22/37/07/388223707.db2.gz RLZXCYUFSPWYDS-XQHKEYJVSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)c(OC)c1 ZINC000449521585 388223767 /nfs/dbraw/zinc/22/37/67/388223767.db2.gz SJSVMNJGNVHCCU-KGLIPLIRSA-N 1 0 247.338 2.437 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1 ZINC000449523793 388224541 /nfs/dbraw/zinc/22/45/41/388224541.db2.gz YOSKDQSLVGCANF-OLZOCXBDSA-N 1 0 203.285 2.120 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000449524148 388224637 /nfs/dbraw/zinc/22/46/37/388224637.db2.gz ZCXLNQRQLDCOOF-OAGGEKHMSA-N 1 0 243.350 2.477 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000449548449 388229835 /nfs/dbraw/zinc/22/98/35/388229835.db2.gz NIXWSOVUCYAXDS-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449583773 388235752 /nfs/dbraw/zinc/23/57/52/388235752.db2.gz ITCZMQSLMBAZNX-NWDGAFQWSA-N 1 0 221.348 2.295 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000449579062 388237662 /nfs/dbraw/zinc/23/76/62/388237662.db2.gz WLWKYJPJGAOKLY-CRWXNKLISA-N 1 0 236.359 2.209 20 30 BEEDRO CCCc1ncc(C[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000449613685 388243140 /nfs/dbraw/zinc/24/31/40/388243140.db2.gz SPNWIMKIOWGLET-QWRGUYRKSA-N 1 0 233.315 2.409 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)OC)C1CCCCC1 ZINC000490669124 388246657 /nfs/dbraw/zinc/24/66/57/388246657.db2.gz FQUZUZVEFLBLPJ-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO C[C@H]([NH2+]C1CCOCC1)c1cccc(C#N)c1 ZINC000037269706 388247014 /nfs/dbraw/zinc/24/70/14/388247014.db2.gz ZYPILGWAKDQOJB-NSHDSACASA-N 1 0 230.311 2.388 20 30 BEEDRO C=CCOCC[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451593387 388282695 /nfs/dbraw/zinc/28/26/95/388282695.db2.gz HQFGDBCMDFGFPH-ZIAGYGMSSA-N 1 0 243.391 2.068 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccncc1Cl ZINC000451601912 388283383 /nfs/dbraw/zinc/28/33/83/388283383.db2.gz CKAMFOUZTITGJB-NEPJUHHUSA-N 1 0 238.718 2.168 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)CC1(O)CCC1 ZINC000491297971 388283908 /nfs/dbraw/zinc/28/39/08/388283908.db2.gz SSHZCKFEVJTVHD-UHFFFAOYSA-N 1 0 247.313 2.176 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1=CCCCC1 ZINC000451609919 388284095 /nfs/dbraw/zinc/28/40/95/388284095.db2.gz DVEWFXATOSFPGB-OLZOCXBDSA-N 1 0 207.317 2.420 20 30 BEEDRO C#CCN(CC#C)Cc1cc2ccc(F)cc2[nH]1 ZINC000491313965 388284304 /nfs/dbraw/zinc/28/43/04/388284304.db2.gz CARGHNODGGRTSJ-UHFFFAOYSA-N 1 0 240.281 2.375 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC12CCC(CC1)C2 ZINC000451612049 388284298 /nfs/dbraw/zinc/28/42/98/388284298.db2.gz JWOUASDQLGNXCE-DKNRTOFZSA-N 1 0 221.344 2.500 20 30 BEEDRO C=CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621065 388284811 /nfs/dbraw/zinc/28/48/11/388284811.db2.gz UEZOXFSKLSPTBT-OLZOCXBDSA-N 1 0 221.344 2.454 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000451622410 388284874 /nfs/dbraw/zinc/28/48/74/388284874.db2.gz GFENOIDZRWJRQY-MELADBBJSA-N 1 0 222.376 2.367 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000491370713 388289281 /nfs/dbraw/zinc/28/92/81/388289281.db2.gz AMFUCVFHZIYXNH-SNVBAGLBSA-N 1 0 222.719 2.497 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CCC(C)C ZINC000451677759 388289371 /nfs/dbraw/zinc/28/93/71/388289371.db2.gz CKJFWJDOGJKYON-MJBXVCDLSA-N 1 0 241.375 2.107 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)C(C)(C)C ZINC000491375115 388289834 /nfs/dbraw/zinc/28/98/34/388289834.db2.gz UNMCNBOFPGHUAK-CYBMUJFWSA-N 1 0 243.354 2.492 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCC(F)(F)C1 ZINC000491381506 388290210 /nfs/dbraw/zinc/29/02/10/388290210.db2.gz FSYXRUKDQWEUNK-SNVBAGLBSA-N 1 0 201.260 2.377 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451705527 388290939 /nfs/dbraw/zinc/29/09/39/388290939.db2.gz ZBSRYXUSVDAZSL-MGPQQGTHSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451700169 388291036 /nfs/dbraw/zinc/29/10/36/388291036.db2.gz FVHWKDUWCGQRLQ-AGIUHOORSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000451723051 388291335 /nfs/dbraw/zinc/29/13/35/388291335.db2.gz WTWDZGISGLFQIK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[N@H+]1CCN(CC)C[C@H]1CC ZINC000451741740 388292469 /nfs/dbraw/zinc/29/24/69/388292469.db2.gz PRGQPXMLODNACL-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C[N@H+](CCCC#N)[C@@H](CO)CC(C)(C)C ZINC000451784571 388296313 /nfs/dbraw/zinc/29/63/13/388296313.db2.gz UNVPJWIGRAAZIX-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C#CC[N@@H+](CCOc1ccccc1OC)C1CC1 ZINC000491464809 388296876 /nfs/dbraw/zinc/29/68/76/388296876.db2.gz UANNBZPTJLBVGB-UHFFFAOYSA-N 1 0 245.322 2.172 20 30 BEEDRO C#C[C@@H](C)N(C)CC(=O)c1cc(C)n(CC)c1C ZINC000491475153 388296970 /nfs/dbraw/zinc/29/69/70/388296970.db2.gz UHSANIXXOTZVSA-LLVKDONJSA-N 1 0 246.354 2.261 20 30 BEEDRO C#CC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000491475709 388297824 /nfs/dbraw/zinc/29/78/24/388297824.db2.gz ZFQPLSMREBGJJI-GXTWGEPZSA-N 1 0 217.312 2.064 20 30 BEEDRO CC#CCC[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451858784 388301142 /nfs/dbraw/zinc/30/11/42/388301142.db2.gz VISFRQUEMFVXRG-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO CC#CCC[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451858383 388301231 /nfs/dbraw/zinc/30/12/31/388301231.db2.gz VISFRQUEMFVXRG-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[N@@H+](CCOc1ccccc1F)C1CC1 ZINC000491642748 388307462 /nfs/dbraw/zinc/30/74/62/388307462.db2.gz YGMTWFZVFBWFAS-UHFFFAOYSA-N 1 0 233.286 2.302 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1ccccc1F ZINC000491658721 388308825 /nfs/dbraw/zinc/30/88/25/388308825.db2.gz HRRFATFCUUXICI-NSHDSACASA-N 1 0 221.275 2.158 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000491665016 388309400 /nfs/dbraw/zinc/30/94/00/388309400.db2.gz UFJGSWZTAOTYQG-NSHDSACASA-N 1 0 232.283 2.091 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(OCCOC)c1 ZINC000491695296 388311659 /nfs/dbraw/zinc/31/16/59/388311659.db2.gz BTNLGOYUVYXYKY-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO C#C[C@@H]([NH2+]CC1=CCCOC1)c1ccc(F)cc1 ZINC000491699428 388312428 /nfs/dbraw/zinc/31/24/28/388312428.db2.gz NJAGZDWAZIIFFQ-OAHLLOKOSA-N 1 0 245.297 2.436 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCCCC(=O)OCC ZINC000491706125 388313321 /nfs/dbraw/zinc/31/33/21/388313321.db2.gz QPTYTEABVKWDGW-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000491722972 388314614 /nfs/dbraw/zinc/31/46/14/388314614.db2.gz ABSRDKREVMLFPG-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO C#C[C@H](NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000491724755 388314962 /nfs/dbraw/zinc/31/49/62/388314962.db2.gz AFBCQROLKPZCFM-HNNXBMFYSA-N 1 0 246.329 2.184 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC000491724472 388314982 /nfs/dbraw/zinc/31/49/82/388314982.db2.gz BMKFTVWGCFQTCC-VIFPVBQESA-N 1 0 209.239 2.418 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1cccc(F)c1F ZINC000491751105 388317836 /nfs/dbraw/zinc/31/78/36/388317836.db2.gz JTYFYWCHZOWHHE-JTQLQIEISA-N 1 0 223.266 2.461 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C(C)C)C1CCCCC1 ZINC000491762203 388318653 /nfs/dbraw/zinc/31/86/53/388318653.db2.gz ZIWRDEUVXDJCSY-AWEZNQCLSA-N 1 0 223.360 2.271 20 30 BEEDRO C#CC[N@H+](C)CCSc1ccc(F)cc1 ZINC000491772349 388319440 /nfs/dbraw/zinc/31/94/40/388319440.db2.gz QEUOBHZXDBRGPI-UHFFFAOYSA-N 1 0 223.316 2.483 20 30 BEEDRO C#CC[N@H+]1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000491778400 388320077 /nfs/dbraw/zinc/32/00/77/388320077.db2.gz YKGRERHRIGZQSJ-RYUDHWBXSA-N 1 0 237.343 2.062 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H]1CCCCC1(F)F ZINC000491785481 388321041 /nfs/dbraw/zinc/32/10/41/388321041.db2.gz SIOVMFDMEHBXJX-JTQLQIEISA-N 1 0 201.260 2.377 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000491788596 388321184 /nfs/dbraw/zinc/32/11/84/388321184.db2.gz STUXHSVUTZOOEN-BXUZGUMPSA-N 1 0 235.302 2.121 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)C(C)C ZINC000491790673 388321290 /nfs/dbraw/zinc/32/12/90/388321290.db2.gz ZZPDQOBTWCJDOA-HUUCEWRRSA-N 1 0 231.339 2.276 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccnn1-c1ccccc1 ZINC000491806963 388322231 /nfs/dbraw/zinc/32/22/31/388322231.db2.gz RZGCUBZJEGBIFK-ZDUSSCGKSA-N 1 0 239.322 2.374 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)C#C ZINC000491781482 256609818 /nfs/dbraw/zinc/60/98/18/256609818.db2.gz LWVSFZFUYXMJJP-CYBMUJFWSA-N 1 0 227.307 2.152 20 30 BEEDRO C[C@@]12C[N@H+](CCCC#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451377881 388267721 /nfs/dbraw/zinc/26/77/21/388267721.db2.gz XMOPLQQBULJEMA-RQJABVFESA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCC)C(C)(C)C ZINC000451424742 388271715 /nfs/dbraw/zinc/27/17/15/388271715.db2.gz TYVOAGWOENDFFB-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C#CC[N@@H+](CCc1cnn(CC)c1)C1CCCC1 ZINC000491164691 388273627 /nfs/dbraw/zinc/27/36/27/388273627.db2.gz DQVRBRGJOPHEBL-UHFFFAOYSA-N 1 0 245.370 2.323 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCO1 ZINC000042240478 388274638 /nfs/dbraw/zinc/27/46/38/388274638.db2.gz KWKJSJGYSFOEFX-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCCO1 ZINC000042240477 388274671 /nfs/dbraw/zinc/27/46/71/388274671.db2.gz KWKJSJGYSFOEFX-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000451469284 388276957 /nfs/dbraw/zinc/27/69/57/388276957.db2.gz LWVATOJKVKBACR-IJLUTSLNSA-N 1 0 236.359 2.329 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C(C)(C)C1CC1 ZINC000491219420 388278293 /nfs/dbraw/zinc/27/82/93/388278293.db2.gz FFHMCEHHFAMMLI-CYBMUJFWSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000359529484 256683514 /nfs/dbraw/zinc/68/35/14/256683514.db2.gz PEVIOGRTPLJKEJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032526 388347179 /nfs/dbraw/zinc/34/71/79/388347179.db2.gz WCWXVZSFKSEVGS-AWEZNQCLSA-N 1 0 244.338 2.298 20 30 BEEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1F)C1CC1 ZINC000594056027 388347208 /nfs/dbraw/zinc/34/72/08/388347208.db2.gz RIWUXPCPOCGOSW-SNVBAGLBSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@H](CO)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032831 388347292 /nfs/dbraw/zinc/34/72/92/388347292.db2.gz AAKDZVXGZRCJQB-LBPRGKRZSA-N 1 0 244.338 2.155 20 30 BEEDRO Cc1nnc(C)n1[NH+]=C/C=C/c1ccccc1 ZINC000254625866 388347335 /nfs/dbraw/zinc/34/73/35/388347335.db2.gz ZYMVGGLXPWXMSZ-KAQGHPILSA-N 1 0 226.283 2.442 20 30 BEEDRO CCN(CCC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000227221076 388359449 /nfs/dbraw/zinc/35/94/49/388359449.db2.gz SSACLHZNIBNEEV-UHFFFAOYSA-N 1 0 245.370 2.332 20 30 BEEDRO CCN(CCC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000227220944 388359484 /nfs/dbraw/zinc/35/94/84/388359484.db2.gz VAFCOPQPSMDQEA-UHFFFAOYSA-N 1 0 245.370 2.332 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)CC(C)(C)CO ZINC000270628957 388362179 /nfs/dbraw/zinc/36/21/79/388362179.db2.gz GAAQIVKWTZZUOO-UHFFFAOYSA-N 1 0 232.327 2.009 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1cc(C#N)cs1 ZINC000086500337 388367968 /nfs/dbraw/zinc/36/79/68/388367968.db2.gz QOFUNYOAXQTGIC-JTQLQIEISA-N 1 0 224.329 2.134 20 30 BEEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)OCC1CC1 ZINC000572706093 388368877 /nfs/dbraw/zinc/36/88/77/388368877.db2.gz WQAKKCHCGOMSTR-ZDUSSCGKSA-N 1 0 249.358 2.225 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C)C1 ZINC000271005959 388370528 /nfs/dbraw/zinc/37/05/28/388370528.db2.gz GWLCQBFAQSXLGV-LLVKDONJSA-N 1 0 230.311 2.409 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056007 388376124 /nfs/dbraw/zinc/37/61/24/388376124.db2.gz ONSKPNSJVLSWDP-NWDGAFQWSA-N 1 0 232.327 2.114 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056009 388376245 /nfs/dbraw/zinc/37/62/45/388376245.db2.gz ONSKPNSJVLSWDP-VXGBXAGGSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000228066852 388377877 /nfs/dbraw/zinc/37/78/77/388377877.db2.gz JWOMPZVMNCMQDH-WOPDTQHZSA-N 1 0 232.327 2.368 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cncnc1C ZINC000519640256 256655049 /nfs/dbraw/zinc/65/50/49/256655049.db2.gz DDOYXGKSKLRBLG-LLVKDONJSA-N 1 0 235.331 2.028 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271545881 388392797 /nfs/dbraw/zinc/39/27/97/388392797.db2.gz QAYMVAOQGUFIOQ-SMDDNHRTSA-N 1 0 248.326 2.444 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(CCC)CC1 ZINC000268423981 135159039 /nfs/dbraw/zinc/15/90/39/135159039.db2.gz QUJXZCZFZXOKLM-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164568029 388393887 /nfs/dbraw/zinc/39/38/87/388393887.db2.gz IEZNBAFCAJNUMJ-TUAOUCFPSA-N 1 0 232.327 2.226 20 30 BEEDRO CC[C@H](CCO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164575622 388394347 /nfs/dbraw/zinc/39/43/47/388394347.db2.gz NTQRBVBRKNWVEV-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164621382 388394649 /nfs/dbraw/zinc/39/46/49/388394649.db2.gz GDLQXWARFPXNFH-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C/C2CCC2)CC1 ZINC000492089440 388334427 /nfs/dbraw/zinc/33/44/27/388334427.db2.gz ALUAVTQJYJGCMT-VOTSOKGWSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C#N)cc1F ZINC000042295910 388442957 /nfs/dbraw/zinc/44/29/57/388442957.db2.gz UUVKQXHIOGSSGT-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO C=CCSCC[NH2+]Cc1conc1CC ZINC000339240313 388480844 /nfs/dbraw/zinc/48/08/44/388480844.db2.gz RSPPZPQZQBUAAI-UHFFFAOYSA-N 1 0 226.345 2.246 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1cccs1 ZINC000649237545 388465090 /nfs/dbraw/zinc/46/50/90/388465090.db2.gz VDFKZSFKSBFSSL-NSHDSACASA-N 1 0 211.330 2.117 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H]1COCC)C(C)C ZINC000309909602 388468430 /nfs/dbraw/zinc/46/84/30/388468430.db2.gz LVTICQYOFTXWRO-RDBSUJKOSA-N 1 0 223.360 2.439 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](CC)CCc1ccccc1 ZINC000649248520 388468920 /nfs/dbraw/zinc/46/89/20/388468920.db2.gz ZAJOEDYKMNJEDU-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648853314 388470410 /nfs/dbraw/zinc/47/04/10/388470410.db2.gz UZKJKNOMKGIBLD-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(CC)CCOCC1)C(C)C ZINC000310004023 388471915 /nfs/dbraw/zinc/47/19/15/388471915.db2.gz FWWDXFUXIIMHBQ-CYBMUJFWSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)nn(CC)c1C ZINC000310005860 388472047 /nfs/dbraw/zinc/47/20/47/388472047.db2.gz GQVHTZCTHJBHLU-LBPRGKRZSA-N 1 0 219.332 2.021 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(C#N)c(F)c1 ZINC000271986370 388417115 /nfs/dbraw/zinc/41/71/15/388417115.db2.gz YFBYHLVSAWDYDW-VHSXEESVSA-N 1 0 236.290 2.119 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)CCCO)ccc1C#N ZINC000443987116 388423274 /nfs/dbraw/zinc/42/32/74/388423274.db2.gz IRIOZVLNNBWEBX-LBPRGKRZSA-N 1 0 232.327 2.117 20 30 BEEDRO Cc1cc(C[NH2+]C(C)(C)[C@H](C)O)ccc1C#N ZINC000443994535 388425357 /nfs/dbraw/zinc/42/53/57/388425357.db2.gz DPQZOLZDJPNJHH-NSHDSACASA-N 1 0 232.327 2.116 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)o1 ZINC000245762987 388431883 /nfs/dbraw/zinc/43/18/83/388431883.db2.gz QBONWFXJDOTUPI-FZMZJTMJSA-N 1 0 246.310 2.152 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308347896 388436224 /nfs/dbraw/zinc/43/62/24/388436224.db2.gz QUPPAFCZTWQHDX-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000397620905 388485194 /nfs/dbraw/zinc/48/51/94/388485194.db2.gz DKVDQUHLAZLQTK-GRYCIOLGSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(CCOC)CC1 ZINC000528576302 388548484 /nfs/dbraw/zinc/54/84/84/388548484.db2.gz MUEATNRRNIIOCO-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000340428351 388490894 /nfs/dbraw/zinc/49/08/94/388490894.db2.gz YELWVHVNKUOVHO-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CSC[C@H]1CCC[N@@H+]1CCCSCC#N ZINC000135485211 388497380 /nfs/dbraw/zinc/49/73/80/388497380.db2.gz DGIOKEROTXGPPH-LLVKDONJSA-N 1 0 244.429 2.461 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000342704029 388499053 /nfs/dbraw/zinc/49/90/53/388499053.db2.gz KUZPWOYXNTTYRQ-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO COC1CC[NH+](Cc2ccc(CC#N)cc2)CC1 ZINC000342723813 388499063 /nfs/dbraw/zinc/49/90/63/388499063.db2.gz BEEGPUAHKPEELG-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](CC)Cc1ccoc1 ZINC000649280502 388512981 /nfs/dbraw/zinc/51/29/81/388512981.db2.gz FUHSXFHHLHENOQ-LBPRGKRZSA-N 1 0 209.289 2.039 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)O1 ZINC000398158011 388516456 /nfs/dbraw/zinc/51/64/56/388516456.db2.gz JKVLNUVGOMELHL-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCCn1ccnc1C ZINC000517038986 388535109 /nfs/dbraw/zinc/53/51/09/388535109.db2.gz TZGDRZBUWDJLME-ZDUSSCGKSA-N 1 0 234.347 2.254 20 30 BEEDRO C[C@H](Nc1ccc(C#N)cn1)C1=CC[N@H+](C)CC1 ZINC000273054940 388591264 /nfs/dbraw/zinc/59/12/64/388591264.db2.gz XWFAXLYRSSVLPQ-NSHDSACASA-N 1 0 242.326 2.016 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000185946669 388594556 /nfs/dbraw/zinc/59/45/56/388594556.db2.gz MPDHVJOIFYCTTR-YNEHKIRRSA-N 1 0 238.375 2.140 20 30 BEEDRO C#CC[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000037215504 388599075 /nfs/dbraw/zinc/59/90/75/388599075.db2.gz ASJWSPMOTHTTPF-UHFFFAOYSA-N 1 0 244.338 2.205 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc(C)cc1 ZINC000550127458 388599840 /nfs/dbraw/zinc/59/98/40/388599840.db2.gz BJTRBOZYOQYGMZ-UHFFFAOYSA-N 1 0 201.313 2.493 20 30 BEEDRO Cn1cc(C[NH2+]CC2(C(F)F)CC2)cc1C#N ZINC000355145554 388603005 /nfs/dbraw/zinc/60/30/05/388603005.db2.gz AZBIUIFJSHPBAF-UHFFFAOYSA-N 1 0 239.269 2.032 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCCOC1 ZINC000355767781 388604633 /nfs/dbraw/zinc/60/46/33/388604633.db2.gz NILVPCHDXSSGRK-DOMZBBRYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCOC1 ZINC000355778917 388604899 /nfs/dbraw/zinc/60/48/99/388604899.db2.gz MYVFKRGDKNUDML-WDEREUQCSA-N 1 0 234.299 2.056 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528725307 388561574 /nfs/dbraw/zinc/56/15/74/388561574.db2.gz PYBLQRVUJLPUGJ-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528764414 388569728 /nfs/dbraw/zinc/56/97/28/388569728.db2.gz WQQZZSKFGRLCJN-UHFFFAOYSA-N 1 0 241.338 2.476 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528787058 388573801 /nfs/dbraw/zinc/57/38/01/388573801.db2.gz FCCNFTNYBAWSEE-LBPRGKRZSA-N 1 0 246.314 2.013 20 30 BEEDRO C=CCCCC[N@H+]1CCc2c(ncn2C)C1 ZINC000649299164 388576329 /nfs/dbraw/zinc/57/63/29/388576329.db2.gz RATRQLSBAAYWBK-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO N#CCC[N@H+](CCCSCC#N)CC1CC1 ZINC000081514857 388580315 /nfs/dbraw/zinc/58/03/15/388580315.db2.gz WSTAZVUQLXHJPJ-UHFFFAOYSA-N 1 0 237.372 2.259 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@@H]1C ZINC000552379719 388580848 /nfs/dbraw/zinc/58/08/48/388580848.db2.gz PFSTWRRTVYMHNF-RKDXNWHRSA-N 1 0 206.314 2.460 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000102845748 388581506 /nfs/dbraw/zinc/58/15/06/388581506.db2.gz RHGBGANSCRKDRN-ZDUSSCGKSA-N 1 0 202.301 2.359 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000521255179 388671055 /nfs/dbraw/zinc/67/10/55/388671055.db2.gz ZVTIBRCXKPELKP-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](CO)C(C)(C)C)ccc1C#N ZINC000489018190 388671259 /nfs/dbraw/zinc/67/12/59/388671259.db2.gz GOBGQQBJMHDMKT-AWEZNQCLSA-N 1 0 246.354 2.363 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccccc1OC ZINC000125812415 388678382 /nfs/dbraw/zinc/67/83/82/388678382.db2.gz XPDFTWURFAABBY-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO CC[C@H](NCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000422961156 388686663 /nfs/dbraw/zinc/68/66/63/388686663.db2.gz AUYPQKWDGIXUKU-GJZGRUSLSA-N 1 0 243.354 2.178 20 30 BEEDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCCC(C)(C)C#N ZINC000125950121 388682929 /nfs/dbraw/zinc/68/29/29/388682929.db2.gz PBKWBFPPWXWVPN-BZNIZROVSA-N 1 0 244.404 2.015 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N(CC)CC ZINC000125947190 388683435 /nfs/dbraw/zinc/68/34/35/388683435.db2.gz LUXFXOQRYVIVIU-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCCC(C)(C)C#N ZINC000125949398 388683454 /nfs/dbraw/zinc/68/34/54/388683454.db2.gz PBKWBFPPWXWVPN-MEDUHNTESA-N 1 0 244.404 2.015 20 30 BEEDRO Cc1ccc(NC[C@@H]2CCC[N@@H+](C)C2)nc1C#N ZINC000302621194 388623369 /nfs/dbraw/zinc/62/33/69/388623369.db2.gz GYGQVNSVBWDQJD-LBPRGKRZSA-N 1 0 244.342 2.015 20 30 BEEDRO C[C@H]([NH2+]CCN1CCC1)c1ccc(C#N)cc1F ZINC000358580360 388624756 /nfs/dbraw/zinc/62/47/56/388624756.db2.gz XLRXWMDSADTSBW-NSHDSACASA-N 1 0 247.317 2.054 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)CO1 ZINC000403985266 388632196 /nfs/dbraw/zinc/63/21/96/388632196.db2.gz RKGAWMLIOBELPR-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)CO1 ZINC000403985264 388632641 /nfs/dbraw/zinc/63/26/41/388632641.db2.gz RKGAWMLIOBELPR-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000230165236 388634824 /nfs/dbraw/zinc/63/48/24/388634824.db2.gz SSTAVCKWTBUQHN-LBPRGKRZSA-N 1 0 230.311 2.074 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000230151250 388634918 /nfs/dbraw/zinc/63/49/18/388634918.db2.gz XRGVQVJDUPNIJJ-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316293 388636110 /nfs/dbraw/zinc/63/61/10/388636110.db2.gz DCWPKUIIWWDLSW-HUUCEWRRSA-N 1 0 242.322 2.215 20 30 BEEDRO C#CC[N@@H+](CCOCC(F)F)C1CCCC1 ZINC000189543615 388637408 /nfs/dbraw/zinc/63/74/08/388637408.db2.gz DDEROJTYNYGNSQ-UHFFFAOYSA-N 1 0 231.286 2.146 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1ccc(C#N)cc1 ZINC000109543484 388640380 /nfs/dbraw/zinc/64/03/80/388640380.db2.gz CRKWSWXRJJCLMC-RISCZKNCSA-N 1 0 230.311 2.388 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000305914986 388643756 /nfs/dbraw/zinc/64/37/56/388643756.db2.gz ARLDMYMSXVOKPF-NSHDSACASA-N 1 0 232.327 2.461 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000063191709 388659987 /nfs/dbraw/zinc/65/99/87/388659987.db2.gz LEZNUOQMVKRVSK-IUODEOHRSA-N 1 0 243.354 2.260 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H](O)C(C)C ZINC000414537716 388664647 /nfs/dbraw/zinc/66/46/47/388664647.db2.gz ZKXZNTPOKDOXDU-LSDHHAIUSA-N 1 0 246.354 2.443 20 30 BEEDRO COCC[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000414483064 388664692 /nfs/dbraw/zinc/66/46/92/388664692.db2.gz NSRNHFMDVDKVHA-LBPRGKRZSA-N 1 0 232.327 2.320 20 30 BEEDRO CCCC[N@H+](CCO)CC(C)(C)CCC#N ZINC000128018222 388735247 /nfs/dbraw/zinc/73/52/47/388735247.db2.gz BJNQEXJEWWFEES-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275917583 388736737 /nfs/dbraw/zinc/73/67/37/388736737.db2.gz YQMBJQHBEKTMAL-SHTZXODSSA-N 1 0 244.338 2.294 20 30 BEEDRO CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccc(C#N)cc1 ZINC000447536656 388737204 /nfs/dbraw/zinc/73/72/04/388737204.db2.gz OYTQHJQUSJRXIW-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO CC(C)[N@@H+](Cc1cc(C#N)cs1)C[C@H](C)O ZINC000093145444 388739318 /nfs/dbraw/zinc/73/93/18/388739318.db2.gz VXLZHYWIJQGQDF-JTQLQIEISA-N 1 0 238.356 2.211 20 30 BEEDRO CC(=O)c1ccc(C#N)c(NC[C@@H](C)[NH+](C)C)c1 ZINC000277053122 388743887 /nfs/dbraw/zinc/74/38/87/388743887.db2.gz HEIPUPNCOCXHJA-SNVBAGLBSA-N 1 0 245.326 2.123 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)c1cccc(OC)c1 ZINC000194984340 388748248 /nfs/dbraw/zinc/74/82/48/388748248.db2.gz WHJAKYOPEBNDNW-LLVKDONJSA-N 1 0 203.285 2.321 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(CF)CCOCC2)cc1 ZINC000449446075 388749707 /nfs/dbraw/zinc/74/97/07/388749707.db2.gz NYKWKWXBCUBZFA-UHFFFAOYSA-N 1 0 248.301 2.167 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](C)CCCO)ccc1C#N ZINC000449408811 388749784 /nfs/dbraw/zinc/74/97/84/388749784.db2.gz PWFYOFHODWTVLO-GFCCVEGCSA-N 1 0 246.354 2.365 20 30 BEEDRO CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1 ZINC000423269801 388689862 /nfs/dbraw/zinc/68/98/62/388689862.db2.gz HQAFCOGSSFCGTR-BXUZGUMPSA-N 1 0 231.343 2.192 20 30 BEEDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266749 388689910 /nfs/dbraw/zinc/68/99/10/388689910.db2.gz CFXHVSIQBYBWSR-YMTOWFKASA-N 1 0 247.317 2.085 20 30 BEEDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280216 388690092 /nfs/dbraw/zinc/69/00/92/388690092.db2.gz SMHWFXZHIRKBGJ-LKFCYVNXSA-N 1 0 247.317 2.085 20 30 BEEDRO C[C@@H](NCC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000423288819 388690108 /nfs/dbraw/zinc/69/01/08/388690108.db2.gz VGCVJDYZTFONLI-SECBINFHSA-N 1 0 235.306 2.085 20 30 BEEDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423229329 388690391 /nfs/dbraw/zinc/69/03/91/388690391.db2.gz AUYPNNJGOMAXIR-JQWIXIFHSA-N 1 0 247.317 2.100 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423354640 388690851 /nfs/dbraw/zinc/69/08/51/388690851.db2.gz DDNXRTLKOBXOGG-HUBLWGQQSA-N 1 0 243.354 2.207 20 30 BEEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)c(F)c1)[C@H](C)[NH3+] ZINC000423453508 388692892 /nfs/dbraw/zinc/69/28/92/388692892.db2.gz XTDZLZOBXXXNOI-AEJSXWLSSA-N 1 0 235.306 2.084 20 30 BEEDRO CC[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440117 388693042 /nfs/dbraw/zinc/69/30/42/388693042.db2.gz AOPNTEDAHAKXHK-MJVIPROJSA-N 1 0 231.343 2.335 20 30 BEEDRO CC[C@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423478516 388693124 /nfs/dbraw/zinc/69/31/24/388693124.db2.gz USFHZMRCRLOMHO-ONGXEEELSA-N 1 0 235.306 2.085 20 30 BEEDRO CC[C@@H](NC[C@@H]([NH3+])CC)c1ccc(C#N)cc1 ZINC000423455845 388693286 /nfs/dbraw/zinc/69/32/86/388693286.db2.gz DAHVGSQIZJGWEA-UONOGXRCSA-N 1 0 231.343 2.336 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CC23CC3)ccc1C#N ZINC000424187201 388695346 /nfs/dbraw/zinc/69/53/46/388695346.db2.gz VCBBNQMXMPKGFZ-CYBMUJFWSA-N 1 0 228.295 2.209 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248853786 388696710 /nfs/dbraw/zinc/69/67/10/388696710.db2.gz PCJJVCWALXSBOW-IJLUTSLNSA-N 1 0 205.305 2.351 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCOC2)o1 ZINC000527741024 388700039 /nfs/dbraw/zinc/70/00/39/388700039.db2.gz WMRSOIXHOKZLRT-NSHDSACASA-N 1 0 234.299 2.058 20 30 BEEDRO COC[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000126726946 388700472 /nfs/dbraw/zinc/70/04/72/388700472.db2.gz XJOQVHRCEMYBEK-NSHDSACASA-N 1 0 212.337 2.188 20 30 BEEDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1cccc(C#N)c1 ZINC000527767285 388700640 /nfs/dbraw/zinc/70/06/40/388700640.db2.gz UCOSDCSOFOOBNG-HIFRSBDPSA-N 1 0 242.322 2.215 20 30 BEEDRO COC[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000126727179 388700812 /nfs/dbraw/zinc/70/08/12/388700812.db2.gz XJOQVHRCEMYBEK-LLVKDONJSA-N 1 0 212.337 2.188 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249058480 388707374 /nfs/dbraw/zinc/70/73/74/388707374.db2.gz ZJXFIDJEIALBGX-WUHRBBMRSA-N 1 0 224.348 2.065 20 30 BEEDRO CCC[N@H+](CC)CCNCc1ccc(C#N)cc1 ZINC000080242089 388708890 /nfs/dbraw/zinc/70/88/90/388708890.db2.gz DGHGMFSLHBJILJ-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO C=CCCC[N@@H+](CCO)CCc1ccccc1 ZINC000117883179 388726156 /nfs/dbraw/zinc/72/61/56/388726156.db2.gz PRSBXZMCNSNXTR-UHFFFAOYSA-N 1 0 233.355 2.490 20 30 BEEDRO C[C@H](CC[NH+](C)C)Nc1ccc(F)cc1C#N ZINC000070073272 388728289 /nfs/dbraw/zinc/72/82/89/388728289.db2.gz QENUZAAIAWYYLR-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000128814426 388796094 /nfs/dbraw/zinc/79/60/94/388796094.db2.gz OWCCQRTVJIOHLO-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000229895774 388802793 /nfs/dbraw/zinc/80/27/93/388802793.db2.gz XAKDIIVJBQGQEM-CQSZACIVSA-N 1 0 239.322 2.374 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000229891324 388802870 /nfs/dbraw/zinc/80/28/70/388802870.db2.gz ABLMBUOPWWAFQW-NSHDSACASA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000229883257 388803276 /nfs/dbraw/zinc/80/32/76/388803276.db2.gz SXRDIFKWDFMOEB-DGCLKSJQSA-N 1 0 217.312 2.325 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000229896498 388803586 /nfs/dbraw/zinc/80/35/86/388803586.db2.gz CUMHTLGJQBQNKF-JHJVBQTASA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(OC)c1OC ZINC000229889552 388803748 /nfs/dbraw/zinc/80/37/48/388803748.db2.gz AQGKFMNVAZDSAX-LBPRGKRZSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(F)c1F ZINC000229894647 388804114 /nfs/dbraw/zinc/80/41/14/388804114.db2.gz WWYLXXIFSWJNEC-SNVBAGLBSA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc(CC)s1 ZINC000229900694 388805009 /nfs/dbraw/zinc/80/50/09/388805009.db2.gz MAYSFJJSZUHSAW-VIFPVBQESA-N 1 0 208.330 2.207 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc2c1OCCCO2 ZINC000229897969 388805095 /nfs/dbraw/zinc/80/50/95/388805095.db2.gz PZAMVMIXKRCZQA-CYBMUJFWSA-N 1 0 245.322 2.349 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000229901405 388805458 /nfs/dbraw/zinc/80/54/58/388805458.db2.gz BSVVDALYPVPOLA-SNVBAGLBSA-N 1 0 204.298 2.121 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000229969738 388808695 /nfs/dbraw/zinc/80/86/95/388808695.db2.gz KDXJSUSUUSMBAC-VXGBXAGGSA-N 1 0 207.317 2.090 20 30 BEEDRO Cc1ccnc(NCC[N@@H+](C)C(C)C)c1C#N ZINC000124888903 388759512 /nfs/dbraw/zinc/75/95/12/388759512.db2.gz VACMWWAFKKZBKU-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CC[C@@H]([NH2+]CCCCO)c1ccc(C#N)cc1 ZINC000279464015 388765292 /nfs/dbraw/zinc/76/52/92/388765292.db2.gz JHKGIKUUSBHLQM-CQSZACIVSA-N 1 0 232.327 2.371 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000252710088 388774066 /nfs/dbraw/zinc/77/40/66/388774066.db2.gz FRCDZQJXSUAFNP-ZDEQEGDKSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000280436192 388781872 /nfs/dbraw/zinc/78/18/72/388781872.db2.gz JYKWQIHKOZSQMY-VXGBXAGGSA-N 1 0 248.326 2.277 20 30 BEEDRO CO[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000230071994 388813345 /nfs/dbraw/zinc/81/33/45/388813345.db2.gz WKSBWBSKTKRZBD-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000554426968 388815528 /nfs/dbraw/zinc/81/55/28/388815528.db2.gz LNVBMCUGCZSCEK-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@H](O)C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000225781191 388844385 /nfs/dbraw/zinc/84/43/85/388844385.db2.gz OCAOGXGYUMECMV-LBPRGKRZSA-N 1 0 244.338 2.151 20 30 BEEDRO COC[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000126367166 388824329 /nfs/dbraw/zinc/82/43/29/388824329.db2.gz IYUHRWUVHIZQNR-CQSZACIVSA-N 1 0 230.311 2.073 20 30 BEEDRO CCc1nnc([C@@H](C)N2CCC(CC#N)CC2)o1 ZINC000541022408 388836928 /nfs/dbraw/zinc/83/69/28/388836928.db2.gz CUDVWLUWASOXEB-SNVBAGLBSA-N 1 0 248.330 2.319 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000129608046 388858958 /nfs/dbraw/zinc/85/89/58/388858958.db2.gz DFJHTCIEGBLUPY-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCOCC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000555376846 388848291 /nfs/dbraw/zinc/84/82/91/388848291.db2.gz BRMATMJHQHXQSX-QWRGUYRKSA-N 1 0 215.362 2.015 20 30 BEEDRO Cc1nc(C[NH2+]CC(C)(C)CC#N)[nH]c1C ZINC000564587432 388880238 /nfs/dbraw/zinc/88/02/38/388880238.db2.gz WYBOQUKFCFDRMS-UHFFFAOYSA-N 1 0 220.320 2.056 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000565168545 388920056 /nfs/dbraw/zinc/92/00/56/388920056.db2.gz DHHASHKQXGDPKR-AWEZNQCLSA-N 1 0 232.327 2.074 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H](C)CCOC)CC1 ZINC000153036099 388933321 /nfs/dbraw/zinc/93/33/21/388933321.db2.gz BFFFANZFWLPURZ-CYBMUJFWSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@@H]1CSCC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001645505127 1172676761 /nfs/dbraw/zinc/67/67/61/1172676761.db2.gz LZRGBGVAOGKGDQ-NSHDSACASA-N 1 0 247.367 2.138 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000565462389 388946248 /nfs/dbraw/zinc/94/62/48/388946248.db2.gz JHMHTHGQCRRHJU-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO C[C@@H](O)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000305678747 388951643 /nfs/dbraw/zinc/95/16/43/388951643.db2.gz MTXGMTRAVJIKAS-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000565840875 388972880 /nfs/dbraw/zinc/97/28/80/388972880.db2.gz RWAUXFIJOPQKLJ-VXGBXAGGSA-N 1 0 226.364 2.222 20 30 BEEDRO C[C@@H](O)[C@@](C)(C[NH2+]CCC#N)Cc1ccccc1 ZINC000566009559 388983459 /nfs/dbraw/zinc/98/34/59/388983459.db2.gz ALXKUFDXHWZRNX-UKRRQHHQSA-N 1 0 246.354 2.119 20 30 BEEDRO C[C@H](O)[C@@](C)(C[NH2+]CCC#N)Cc1ccccc1 ZINC000566009557 388983624 /nfs/dbraw/zinc/98/36/24/388983624.db2.gz ALXKUFDXHWZRNX-DZGCQCFKSA-N 1 0 246.354 2.119 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CSc2ccccc21 ZINC000565828815 388971520 /nfs/dbraw/zinc/97/15/20/388971520.db2.gz IFQKVZXDQLARFV-SNVBAGLBSA-N 1 0 218.325 2.379 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnn(CC)c1 ZINC000274600359 389047915 /nfs/dbraw/zinc/04/79/15/389047915.db2.gz PQOHTXYJIJIFTM-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccc(C)o1 ZINC000272509749 389033332 /nfs/dbraw/zinc/03/33/32/389033332.db2.gz GBWKYCSHGSHNHA-LLVKDONJSA-N 1 0 209.289 2.441 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1ccc(F)cn1 ZINC000273304336 389039761 /nfs/dbraw/zinc/03/97/61/389039761.db2.gz VIHJUQXVKOUKTG-SECBINFHSA-N 1 0 207.252 2.175 20 30 BEEDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccc(C#N)cc1 ZINC000061644153 1172690093 /nfs/dbraw/zinc/69/00/93/1172690093.db2.gz HRGOZBHJLSLBAP-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C#C[C@H](NC(=[NH2+])Nc1cccc(C)c1)C(C)C ZINC000262207884 533277733 /nfs/dbraw/zinc/27/77/33/533277733.db2.gz SZZZXGWXURNXPP-ZDUSSCGKSA-N 1 0 229.327 2.379 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC1CC1)c1ccc(Cl)cc1 ZINC000262383961 533278156 /nfs/dbraw/zinc/27/81/56/533278156.db2.gz PLEDYLUAODAGNU-LBPRGKRZSA-N 1 0 247.729 2.081 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C#N)c2F)C1 ZINC000510094168 533291986 /nfs/dbraw/zinc/29/19/86/533291986.db2.gz QZAJWTAUISRVCU-BETUJISGSA-N 1 0 248.301 2.307 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000262910095 533299472 /nfs/dbraw/zinc/29/94/72/533299472.db2.gz CPALJGKDMZBBDW-GFCCVEGCSA-N 1 0 229.327 2.442 20 30 BEEDRO CC(=O)NC1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000329413909 533416856 /nfs/dbraw/zinc/41/68/56/533416856.db2.gz CLGQDGCESSDKRS-WXRRBKDZSA-N 1 0 240.347 2.043 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000351815684 533485827 /nfs/dbraw/zinc/48/58/27/533485827.db2.gz NQUYDHMJOVKFMN-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000351811850 533486011 /nfs/dbraw/zinc/48/60/11/533486011.db2.gz CZUBMTZUHRCFBK-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000293312632 533486252 /nfs/dbraw/zinc/48/62/52/533486252.db2.gz LNSALEXTMVZZHC-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N(CC(C)C)C1CC1 ZINC000181278869 533494470 /nfs/dbraw/zinc/49/44/70/533494470.db2.gz DOUFXEBWIWMXMP-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000351729697 533502568 /nfs/dbraw/zinc/50/25/68/533502568.db2.gz HGMSYHYMBRJXLF-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000353017519 533512072 /nfs/dbraw/zinc/51/20/72/533512072.db2.gz CRADNIYOLKPOIO-VIFPVBQESA-N 1 0 205.248 2.124 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CC1(O)CCC(C)CC1 ZINC000305198506 533602844 /nfs/dbraw/zinc/60/28/44/533602844.db2.gz FBOADMWKDNPTDH-OTTFEQOBSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000342011914 533534831 /nfs/dbraw/zinc/53/48/31/533534831.db2.gz NHDZMNFBJQTWQA-RWMBFGLXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCOC1(C)C ZINC000340378630 533541680 /nfs/dbraw/zinc/54/16/80/533541680.db2.gz DHRBINAGSJEULN-UPJWGTAASA-N 1 0 239.359 2.125 20 30 BEEDRO C[NH2+]C[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000040602312 132223911 /nfs/dbraw/zinc/22/39/11/132223911.db2.gz UAJYDRCJKOETAX-LBPRGKRZSA-N 1 0 247.317 2.133 20 30 BEEDRO C[NH+](C)CC1CCN(c2ccc(C#N)cc2)CC1 ZINC000042252770 132224687 /nfs/dbraw/zinc/22/46/87/132224687.db2.gz QRXJPLUYRSOTHP-UHFFFAOYSA-N 1 0 243.354 2.336 20 30 BEEDRO N#Cc1ccc(N2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000070171216 132229818 /nfs/dbraw/zinc/22/98/18/132229818.db2.gz QXAZASYIXYRCIZ-LLVKDONJSA-N 1 0 247.317 2.263 20 30 BEEDRO N#Cc1c(F)cccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171336 132230031 /nfs/dbraw/zinc/23/00/31/132230031.db2.gz GCFFLAGUIQHHHV-LLVKDONJSA-N 1 0 247.317 2.263 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000070175198 132230310 /nfs/dbraw/zinc/23/03/10/132230310.db2.gz BTOSKCQUCFDXIK-GHMZBOCLSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000070174955 132230374 /nfs/dbraw/zinc/23/03/74/132230374.db2.gz AAKMYCWIYGCKHK-AAEUAGOBSA-N 1 0 229.327 2.122 20 30 BEEDRO N#Cc1ccc(Cl)cc1N1CCC[C@@H]([NH3+])C1 ZINC000062785804 132241142 /nfs/dbraw/zinc/24/11/42/132241142.db2.gz IOYNFODTMXZVKL-LLVKDONJSA-N 1 0 235.718 2.139 20 30 BEEDRO N#Cc1ccc(Cl)cc1N1CCC[C@@H](C[NH3+])C1 ZINC000062785832 132241184 /nfs/dbraw/zinc/24/11/84/132241184.db2.gz ZGFCCDTWGRSWKY-JTQLQIEISA-N 1 0 249.745 2.387 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(C#N)cc1 ZINC000336520731 132248408 /nfs/dbraw/zinc/24/84/08/132248408.db2.gz JYLGGJJHJCIYDP-VXGBXAGGSA-N 1 0 229.327 2.087 20 30 BEEDRO N#Cc1cc(F)ccc1N1CCCC[C@H]1C[NH3+] ZINC000111027338 132268226 /nfs/dbraw/zinc/26/82/26/132268226.db2.gz JXJIUUKGSYXFMK-LBPRGKRZSA-N 1 0 233.290 2.015 20 30 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N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000332238774 134004434 /nfs/dbraw/zinc/00/44/34/134004434.db2.gz SYIBHZFLDANXLF-IGQOVBAYSA-N 1 0 236.359 2.352 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(CCO)CCC2)C1 ZINC000332459955 134005112 /nfs/dbraw/zinc/00/51/12/134005112.db2.gz PGTHAUSXWMFKOF-CHWSQXEVSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000352030415 134045051 /nfs/dbraw/zinc/04/50/51/134045051.db2.gz VWTYQEOUUMNNAS-ZJUUUORDSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000352030414 134045267 /nfs/dbraw/zinc/04/52/67/134045267.db2.gz VWTYQEOUUMNNAS-VHSXEESVSA-N 1 0 237.265 2.340 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cccc2c[nH]nc21 ZINC000352086649 134061002 /nfs/dbraw/zinc/06/10/02/134061002.db2.gz GFGIDPOBWAPVKO-JTQLQIEISA-N 1 0 228.299 2.154 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000336041084 134062027 /nfs/dbraw/zinc/06/20/27/134062027.db2.gz LWFLGRNKXWTRNR-GFCCVEGCSA-N 1 0 238.375 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C#CCOCCNc1cc[nH+]c2cc(F)ccc12 ZINC000302087942 134157061 /nfs/dbraw/zinc/15/70/61/134157061.db2.gz AGZUQDBSELUXDZ-UHFFFAOYSA-N 1 0 244.269 2.436 20 30 BEEDRO N#Cc1ccc(NC[C@H]([NH3+])C2CC2)cc1Cl ZINC000168238137 134160812 /nfs/dbraw/zinc/16/08/12/134160812.db2.gz VXKNZJGZCTUTLY-LBPRGKRZSA-N 1 0 235.718 2.361 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cc(C)ccn1 ZINC000353626162 134164569 /nfs/dbraw/zinc/16/45/69/134164569.db2.gz XNMCAOCQOYYKCN-CHWSQXEVSA-N 1 0 234.343 2.225 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353595286 134164774 /nfs/dbraw/zinc/16/47/74/134164774.db2.gz JBAYIQOXVYQVFC-UKRRQHHQSA-N 1 0 242.322 2.072 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C(=O)NCC)C(C)C ZINC000354067729 134166502 /nfs/dbraw/zinc/16/65/02/134166502.db2.gz FOVBTHWAVKLKRW-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000354207652 134167351 /nfs/dbraw/zinc/16/73/51/134167351.db2.gz MTGUXOLWCUTMOG-UPJWGTAASA-N 1 0 236.359 2.426 20 30 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C[C@H](CC#N)[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000358822220 134192923 /nfs/dbraw/zinc/19/29/23/134192923.db2.gz AXNVNTXLFCFLQQ-CHWSQXEVSA-N 1 0 240.347 2.154 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000360489390 134200845 /nfs/dbraw/zinc/20/08/45/134200845.db2.gz GQEUCINNKGIZLM-QWRGUYRKSA-N 1 0 249.276 2.178 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000360967969 134202860 /nfs/dbraw/zinc/20/28/60/134202860.db2.gz FZLVHGFCPUKCGJ-UHFFFAOYSA-N 1 0 243.354 2.185 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000361436344 134205291 /nfs/dbraw/zinc/20/52/91/134205291.db2.gz ZRCMOQXJGNXZCE-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)CC#Cc1ccccc1 ZINC000361764840 134207541 /nfs/dbraw/zinc/20/75/41/134207541.db2.gz IWERVVJWNOUPEH-MRXNPFEDSA-N 1 0 245.366 2.377 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000361742631 134207589 /nfs/dbraw/zinc/20/75/89/134207589.db2.gz GUDPLYVEHNIFDO-STQMWFEESA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@@H](C)Nc1ncc(C)c(N[C@H](C)C=C)n1 ZINC000362560839 134211757 /nfs/dbraw/zinc/21/17/57/134211757.db2.gz ONUUEHHBCPIEJA-GHMZBOCLSA-N 1 0 232.331 2.180 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000367459877 134215475 /nfs/dbraw/zinc/21/54/75/134215475.db2.gz WTPZHVIWYZPTHE-MNOVXSKESA-N 1 0 215.724 2.382 20 30 BEEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCCCC#N ZINC000367572954 134215617 /nfs/dbraw/zinc/21/56/17/134215617.db2.gz GNDDYBUVPQAQOZ-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000368058999 134217256 /nfs/dbraw/zinc/21/72/56/134217256.db2.gz BBGVLDJDJFFERF-UONOGXRCSA-N 1 0 234.318 2.347 20 30 BEEDRO CC#CCC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000368089880 134217272 /nfs/dbraw/zinc/21/72/72/134217272.db2.gz ADYXWHUKXJAEFG-ZIAGYGMSSA-N 1 0 233.355 2.433 20 30 BEEDRO CC1(C)C[N@H+](CCCC#N)[C@@H]1[C@@H]1CCCO1 ZINC000368076132 134217316 /nfs/dbraw/zinc/21/73/16/134217316.db2.gz SXXBILFEQFUHFQ-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 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C[C@H]1C[N@H+](CC(C)(C)CCC#N)CCCO1 ZINC000179402386 134317456 /nfs/dbraw/zinc/31/74/56/134317456.db2.gz ZMIOCBYNDNDZHS-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO N#Cc1ccc(C[N@@H+](CCO)C2CCC2)c(F)c1 ZINC000221192035 134317481 /nfs/dbraw/zinc/31/74/81/134317481.db2.gz PVSWNTGLKQVLLP-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000179120502 134317674 /nfs/dbraw/zinc/31/76/74/134317674.db2.gz JMBMMPSEKQHMJI-XQQFMLRXSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000181260364 134334774 /nfs/dbraw/zinc/33/47/74/134334774.db2.gz OBCATYIYCMYMRF-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO CO[C@H](C)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000223868226 134343254 /nfs/dbraw/zinc/34/32/54/134343254.db2.gz DJIQFRNFXIWWNO-LRVUVFPRSA-N 1 0 244.338 2.235 20 30 BEEDRO C=C(C)CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000183043831 134350564 /nfs/dbraw/zinc/35/05/64/134350564.db2.gz DUVWLZHNDPWDDY-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)COCC[NH+]1CCC(C)(C#N)CC1 ZINC000226319227 134360273 /nfs/dbraw/zinc/36/02/73/134360273.db2.gz ATOQJJPOXRYTCH-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1C ZINC000184280955 134361496 /nfs/dbraw/zinc/36/14/96/134361496.db2.gz UWDDNTVMMDIEOY-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000184927606 134371434 /nfs/dbraw/zinc/37/14/34/134371434.db2.gz RZGQCRAMLDSINI-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000184928110 134371502 /nfs/dbraw/zinc/37/15/02/134371502.db2.gz CBIHKDQFBMNFMP-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185164524 134372334 /nfs/dbraw/zinc/37/23/34/134372334.db2.gz NEQZNTOLENMIJM-AWEZNQCLSA-N 1 0 241.375 2.448 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000185405559 134379413 /nfs/dbraw/zinc/37/94/13/134379413.db2.gz QECJXCSZRHBOFG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000185430875 134380553 /nfs/dbraw/zinc/38/05/53/134380553.db2.gz VOGRSVRQAFJHEN-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CN[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185465179 134380682 /nfs/dbraw/zinc/38/06/82/134380682.db2.gz HCUQLLZYQRXMIQ-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)[C@@H]1COc2ccccc21 ZINC000185588027 134382080 /nfs/dbraw/zinc/38/20/80/134382080.db2.gz KGICTWFSHBRNLF-AAEUAGOBSA-N 1 0 230.311 2.444 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185815054 134390609 /nfs/dbraw/zinc/39/06/09/134390609.db2.gz NLEZMRZPXDWXSN-ZFWWWQNUSA-N 1 0 247.386 2.309 20 30 BEEDRO CC1CCN(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000185779483 134394939 /nfs/dbraw/zinc/39/49/39/134394939.db2.gz LGROKZGZNKMVBG-CABCVRRESA-N 1 0 249.402 2.390 20 30 BEEDRO CSC1(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000235226401 134397404 /nfs/dbraw/zinc/39/74/04/134397404.db2.gz GJUVJNURJGLWOE-UHFFFAOYSA-N 1 0 210.346 2.165 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccsc1 ZINC000186706181 134431328 /nfs/dbraw/zinc/43/13/28/134431328.db2.gz PSPNZVWFOKBWME-GXSJLCMTSA-N 1 0 211.330 2.336 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309615349 134473018 /nfs/dbraw/zinc/47/30/18/134473018.db2.gz BMESHXQWLNZWOV-AGIUHOORSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)=CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000191629860 134574095 /nfs/dbraw/zinc/57/40/95/134574095.db2.gz CWBVYZISBNXYIG-UHFFFAOYSA-N 1 0 240.310 2.262 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CCC(C)(C)C#N)C1(C)C ZINC000234856626 134586087 /nfs/dbraw/zinc/58/60/87/134586087.db2.gz ZLPPUYPAYCPUHC-WDEREUQCSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C(=O)NC)C(C)C ZINC000193510014 134597467 /nfs/dbraw/zinc/59/74/67/134597467.db2.gz GMLNPESADMWHEP-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000309598571 134598841 /nfs/dbraw/zinc/59/88/41/134598841.db2.gz JHIKUJWDIMTQBP-GFCCVEGCSA-N 1 0 217.312 2.415 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCOC1(C)C ZINC000328394336 134602381 /nfs/dbraw/zinc/60/23/81/134602381.db2.gz POYDPEHGOOFHLV-JTQLQIEISA-N 1 0 215.362 2.063 20 30 BEEDRO CCCC[C@H](COC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336729045 134604892 /nfs/dbraw/zinc/60/48/92/134604892.db2.gz HKALNKKWBRLHNI-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCOC1 ZINC000336781889 134604965 /nfs/dbraw/zinc/60/49/65/134604965.db2.gz WAGHLYSFMSFGHG-FRRDWIJNSA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348236963 134609742 /nfs/dbraw/zinc/60/97/42/134609742.db2.gz YOTOZSTWVGJLHS-RKDXNWHRSA-N 1 0 218.247 2.040 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CC[S@@](C)=O)C1CC1 ZINC000130613878 134621369 /nfs/dbraw/zinc/62/13/69/134621369.db2.gz YRSFBPWQCHNKHS-FFSVYQOJSA-N 1 0 243.416 2.478 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)[C@H]1CCOC1 ZINC000135493429 134747982 /nfs/dbraw/zinc/74/79/82/134747982.db2.gz XGVFPCHCVAKLBX-ONGXEEELSA-N 1 0 236.340 2.134 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1ccnc(C#N)c1 ZINC000061812158 134802030 /nfs/dbraw/zinc/80/20/30/134802030.db2.gz UWTGFRCSQKDYQW-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO COCC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000229696690 134832760 /nfs/dbraw/zinc/83/27/60/134832760.db2.gz AKFCKGZIVFPIMD-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3OCC[C@H]32)o1 ZINC000245987828 134873624 /nfs/dbraw/zinc/87/36/24/134873624.db2.gz FNDGTACDBWBACR-BFHYXJOUSA-N 1 0 246.310 2.198 20 30 BEEDRO CN(C)C(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000170905868 134879315 /nfs/dbraw/zinc/87/93/15/134879315.db2.gz PGWNQAWQAGBQKK-UHFFFAOYSA-N 1 0 245.248 2.082 20 30 BEEDRO CN(C)C(=[NH2+])NCCCc1cccc(Cl)c1 ZINC000170912965 134880380 /nfs/dbraw/zinc/88/03/80/134880380.db2.gz HAJAFUHUZZDJCD-UHFFFAOYSA-N 1 0 239.750 2.149 20 30 BEEDRO C=CC[NH+]1CCC(/N=C/c2ccccc2O)CC1 ZINC000171647739 134883927 /nfs/dbraw/zinc/88/39/27/134883927.db2.gz WRHYSTAHQGKVDV-FOWTUZBSSA-N 1 0 244.338 2.462 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000336686838 134901567 /nfs/dbraw/zinc/90/15/67/134901567.db2.gz UTDGFFNJWPWBNI-YPMHNXCESA-N 1 0 241.400 2.453 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000336752699 134903691 /nfs/dbraw/zinc/90/36/91/134903691.db2.gz GJIUKWRLDNKJBN-WDEREUQCSA-N 1 0 212.337 2.329 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000336734864 134918432 /nfs/dbraw/zinc/91/84/32/134918432.db2.gz NQQHBXORXWSRMJ-BDAKNGLRSA-N 1 0 214.259 2.314 20 30 BEEDRO C[C@H](CCCCO)[NH2+]CC(C)(C)CCC#N ZINC000336747144 134927311 /nfs/dbraw/zinc/92/73/11/134927311.db2.gz RVEWXQHJQFMQSE-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO CNC(=[NH2+])NCc1ccc(C(F)(F)F)cc1C ZINC000191727266 134953432 /nfs/dbraw/zinc/95/34/32/134953432.db2.gz GXVVAHNANZUVRH-UHFFFAOYSA-N 1 0 245.248 2.048 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)C2CCCCC2)C1=O ZINC000337137058 135001341 /nfs/dbraw/zinc/00/13/41/135001341.db2.gz PCCLOARYTLIGEU-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO 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ZINC000262813545 135122652 /nfs/dbraw/zinc/12/26/52/135122652.db2.gz OLPQYBYECFULRH-HDJSIYSDSA-N 1 0 245.370 2.412 20 30 BEEDRO C[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CCc2ccccc21 ZINC000263077304 135124157 /nfs/dbraw/zinc/12/41/57/135124157.db2.gz CRFPIQKHMFUXOG-AAEUAGOBSA-N 1 0 243.354 2.281 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C#N)s1 ZINC000253201723 135124536 /nfs/dbraw/zinc/12/45/36/135124536.db2.gz YFGNXKWVUYFPSP-ZWNOBZJWSA-N 1 0 249.383 2.050 20 30 BEEDRO Cc1ccccc1CC[NH+]=C(N(C)C)N(C)C ZINC000263227151 135125877 /nfs/dbraw/zinc/12/58/77/135125877.db2.gz GUVODXVJFHGDCU-UHFFFAOYSA-N 1 0 233.359 2.017 20 30 BEEDRO C[C@H](O)C[N@H+](CCCC#N)C1CCCCC1 ZINC000078513103 135128930 /nfs/dbraw/zinc/12/89/30/135128930.db2.gz QDAUCSWNQYHPQD-LBPRGKRZSA-N 1 0 224.348 2.306 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCc1cccc(F)c1 ZINC000264063587 135131106 /nfs/dbraw/zinc/13/11/06/135131106.db2.gz DLXKSQYCRJHRAO-SNVBAGLBSA-N 1 0 237.322 2.071 20 30 BEEDRO CC(C)Oc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000264093309 135132297 /nfs/dbraw/zinc/13/22/97/135132297.db2.gz LKUXYNGYQMGLIW-UHFFFAOYSA-N 1 0 247.342 2.041 20 30 BEEDRO CCOc1ccccc1CNC(=[NH2+])NC(C)(C)C ZINC000264141370 135134893 /nfs/dbraw/zinc/13/48/93/135134893.db2.gz WOKXFCQURBONLU-UHFFFAOYSA-N 1 0 249.358 2.288 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)c1ccccc1 ZINC000264133340 135135146 /nfs/dbraw/zinc/13/51/46/135135146.db2.gz UTMINSLCEWTLDT-GFCCVEGCSA-N 1 0 231.343 2.271 20 30 BEEDRO [NH2+]=C(NCC1CCCCC1)Nc1ccccn1 ZINC000264147138 135135645 /nfs/dbraw/zinc/13/56/45/135135645.db2.gz YBCIYRWYSARQKV-UHFFFAOYSA-N 1 0 232.331 2.389 20 30 BEEDRO CCOCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000264144780 135135842 /nfs/dbraw/zinc/13/58/42/135135842.db2.gz XPWUOKQLTWDLDL-UHFFFAOYSA-N 1 0 235.331 2.012 20 30 BEEDRO Cc1ccccc1CNC(=[NH2+])NCCC(C)C ZINC000264143652 135135966 /nfs/dbraw/zinc/13/59/66/135135966.db2.gz XGUMMHGGVRHXRC-UHFFFAOYSA-N 1 0 233.359 2.445 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)c1ccccc1F ZINC000264236424 135137005 /nfs/dbraw/zinc/13/70/05/135137005.db2.gz DDNFALBQHOJZGG-UHFFFAOYSA-N 1 0 237.322 2.028 20 30 BEEDRO CCCNC(=[NH2+])NCC1(c2ccccc2C)CC1 ZINC000264269653 135137242 /nfs/dbraw/zinc/13/72/42/135137242.db2.gz LKRWNFFMYQHGLC-UHFFFAOYSA-N 1 0 245.370 2.341 20 30 BEEDRO Cc1cnn(CCCCC[N@@H+](C)C[C@@H](C)C#N)c1 ZINC000264759188 135139797 /nfs/dbraw/zinc/13/97/97/135139797.db2.gz YPVRTAXHFKZHMQ-ZDUSSCGKSA-N 1 0 248.374 2.453 20 30 BEEDRO Cc1cnn(CCCCC[N@@H+](C)C[C@H](C)C#N)c1 ZINC000264759185 135139939 /nfs/dbraw/zinc/13/99/39/135139939.db2.gz YPVRTAXHFKZHMQ-CYBMUJFWSA-N 1 0 248.374 2.453 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC000259795699 135144815 /nfs/dbraw/zinc/14/48/15/135144815.db2.gz UIKRZQOEBMWJAS-HIFRSBDPSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1cc(C[NH+]2CCCC2)ccc1C#N ZINC000260726529 135149546 /nfs/dbraw/zinc/14/95/46/135149546.db2.gz DGDKOQCTRPYHHR-UHFFFAOYSA-N 1 0 200.285 2.463 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCC2)cc1F ZINC000260780752 135149688 /nfs/dbraw/zinc/14/96/88/135149688.db2.gz JILBWWYJVFTVTA-UHFFFAOYSA-N 1 0 204.248 2.339 20 30 BEEDRO CCCNC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000267431706 135153910 /nfs/dbraw/zinc/15/39/10/135153910.db2.gz MTCSZJITFOGXKG-UHFFFAOYSA-N 1 0 249.333 2.172 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1 ZINC000267433910 135153953 /nfs/dbraw/zinc/15/39/53/135153953.db2.gz NIJOKNQLOUYWAB-GFCCVEGCSA-N 1 0 249.358 2.014 20 30 BEEDRO C[C@H](CNC(=[NH2+])NC1CC1)Sc1ccccc1 ZINC000267438487 135154318 /nfs/dbraw/zinc/15/43/18/135154318.db2.gz OLGAIVMVQKDLNE-SNVBAGLBSA-N 1 0 249.383 2.234 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCc1ccc(C)cc1 ZINC000267414289 135154472 /nfs/dbraw/zinc/15/44/72/135154472.db2.gz IWTJCGCUNVJTNP-GFCCVEGCSA-N 1 0 233.359 2.240 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])NCCCCCC ZINC000267454556 135154796 /nfs/dbraw/zinc/15/47/96/135154796.db2.gz SLXZSQMTLUUNEJ-UHFFFAOYSA-N 1 0 217.744 2.224 20 30 BEEDRO CCc1ccccc1CNC(=[NH2+])N(CC)CC ZINC000267456627 135155153 /nfs/dbraw/zinc/15/51/53/135155153.db2.gz TVFUFTFWOJCEPH-UHFFFAOYSA-N 1 0 233.359 2.406 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000268214902 135158321 /nfs/dbraw/zinc/15/83/21/135158321.db2.gz BDYBUOYLBJKAHK-CHWSQXEVSA-N 1 0 248.326 2.471 20 30 BEEDRO COCC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000087595678 135159514 /nfs/dbraw/zinc/15/95/14/135159514.db2.gz FUOCWFXNIRNPTQ-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CC1(C)CC[C@@H]1NC(=[NH2+])NC1CCCC1 ZINC000261531749 135160695 /nfs/dbraw/zinc/16/06/95/135160695.db2.gz HTBWFKIYXHUTOC-JTQLQIEISA-N 1 0 209.337 2.022 20 30 BEEDRO C[C@@H](Nc1ccc(C#N)c(Cl)c1)[C@H](C)[NH3+] ZINC000261536160 135171456 /nfs/dbraw/zinc/17/14/56/135171456.db2.gz QOYJRBJEEZVDAD-JGVFFNPUSA-N 1 0 223.707 2.359 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000292799705 135177853 /nfs/dbraw/zinc/17/78/53/135177853.db2.gz MGCXGEKPXDEJBZ-ZDUSSCGKSA-N 1 0 233.315 2.082 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000292799703 135177922 /nfs/dbraw/zinc/17/79/22/135177922.db2.gz MGCXGEKPXDEJBZ-CYBMUJFWSA-N 1 0 233.315 2.082 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000293045381 135179066 /nfs/dbraw/zinc/17/90/66/135179066.db2.gz RCFVZXZLBZAVEN-NEPJUHHUSA-N 1 0 230.311 2.429 20 30 BEEDRO CCc1nocc1C[N@H+](C)CCCCC#N ZINC000293464172 135180010 /nfs/dbraw/zinc/18/00/10/135180010.db2.gz QKJVDKJVMGIRTM-UHFFFAOYSA-N 1 0 221.304 2.363 20 30 BEEDRO C#CC[C@@H]([NH2+]CCOCCC#N)c1ccccc1 ZINC000293766844 135183504 /nfs/dbraw/zinc/18/35/04/135183504.db2.gz KOCUJADPCKBSEJ-OAHLLOKOSA-N 1 0 242.322 2.271 20 30 BEEDRO C[C@H](c1ccccn1)[N@H+](C)CCOCCC#N ZINC000293934434 135184422 /nfs/dbraw/zinc/18/44/22/135184422.db2.gz ZBSNLDHOEBUUJV-GFCCVEGCSA-N 1 0 233.315 2.005 20 30 BEEDRO C[C@H](c1cccnc1)[N@H+](C)CCOCCC#N ZINC000293915403 135184633 /nfs/dbraw/zinc/18/46/33/135184633.db2.gz XHWUEEIZYRNPCQ-GFCCVEGCSA-N 1 0 233.315 2.005 20 30 BEEDRO C[N@H+](CCCSCC#N)Cc1ccccn1 ZINC000295076536 135188789 /nfs/dbraw/zinc/18/87/89/135188789.db2.gz CZOJAEYDTOMVEW-UHFFFAOYSA-N 1 0 235.356 2.160 20 30 BEEDRO C[C@@]1(C[NH3+])CCN(c2ccc(Cl)cc2C#N)C1 ZINC000261553251 135192646 /nfs/dbraw/zinc/19/26/46/135192646.db2.gz NQXZNEOFBYXYMY-ZDUSSCGKSA-N 1 0 249.745 2.387 20 30 BEEDRO N#CCN1CC[NH+](CCC2CCCCCC2)CC1 ZINC000340563216 135195165 /nfs/dbraw/zinc/19/51/65/135195165.db2.gz OCEQWUOCQLZPKP-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=CCCC[NH+]1CCN(c2cnccc2C)CC1 ZINC000340600841 135199115 /nfs/dbraw/zinc/19/91/15/135199115.db2.gz PZJAAFDWIXJJPJ-UHFFFAOYSA-N 1 0 245.370 2.478 20 30 BEEDRO N#Cc1ccnc(NCC2([NH3+])CCCCC2)c1 ZINC000261558493 135199386 /nfs/dbraw/zinc/19/93/86/135199386.db2.gz SPMYGEUUPFOICP-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO C=CCN(C(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CC1 ZINC000261562934 135204939 /nfs/dbraw/zinc/20/49/39/135204939.db2.gz WSKQOWKAJFMTEE-WCQYABFASA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CC1 ZINC000261562935 135204940 /nfs/dbraw/zinc/20/49/40/135204940.db2.gz WSKQOWKAJFMTEE-YPMHNXCESA-N 1 0 236.359 2.071 20 30 BEEDRO C[C@@]1(C[NH3+])CCN(c2cc(Cl)ccc2C#N)C1 ZINC000261563287 135205565 /nfs/dbraw/zinc/20/55/65/135205565.db2.gz WXMCCPFZNJQOIB-ZDUSSCGKSA-N 1 0 249.745 2.387 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1c1ccc(Cl)cc1C#N ZINC000261564190 135206399 /nfs/dbraw/zinc/20/63/99/135206399.db2.gz CJFGPATYLGOAFQ-LDYMZIIASA-N 1 0 235.718 2.138 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000163849562 135207639 /nfs/dbraw/zinc/20/76/39/135207639.db2.gz ZEDXUTCPDBGPFT-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C[C@@H]1CCN(c2ccc(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000163969148 135209326 /nfs/dbraw/zinc/20/93/26/135209326.db2.gz KPYFIJDYDFDNNZ-PWSUYJOCSA-N 1 0 247.317 2.118 20 30 BEEDRO C[C@@H](O)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000163956949 135211486 /nfs/dbraw/zinc/21/14/86/135211486.db2.gz BRLSBMHEMADFGA-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](C)C(=O)OC ZINC000121100539 135221233 /nfs/dbraw/zinc/22/12/33/135221233.db2.gz MBLSXYXMRKNSMB-ZDUSSCGKSA-N 1 0 247.338 2.484 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)COc1cc(C)ccc1C ZINC000121177165 135222174 /nfs/dbraw/zinc/22/21/74/135222174.db2.gz WGRSCGWYKBLFHV-AWEZNQCLSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CC[N@H+](C)CCCOc1ccc2c(c1)OCO2 ZINC000121487368 135223646 /nfs/dbraw/zinc/22/36/46/135223646.db2.gz ZSWBGGJEJKSCOM-UHFFFAOYSA-N 1 0 249.310 2.302 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1c(F)cccc1F ZINC000121372620 135224669 /nfs/dbraw/zinc/22/46/69/135224669.db2.gz GHNCCPFFRKRVHH-NSHDSACASA-N 1 0 227.254 2.116 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000121443059 135224829 /nfs/dbraw/zinc/22/48/29/135224829.db2.gz MBYZPDRQZOQABE-CQSZACIVSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CCN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000122366080 135227327 /nfs/dbraw/zinc/22/73/27/135227327.db2.gz OADAPCIVIPBGKA-UHFFFAOYSA-N 1 0 247.342 2.398 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000340905318 135230602 /nfs/dbraw/zinc/23/06/02/135230602.db2.gz YKKFSUJHKQQBJL-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1O ZINC000341004071 135232385 /nfs/dbraw/zinc/23/23/85/135232385.db2.gz AGTRADXGGDHHCA-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC000341119379 135234237 /nfs/dbraw/zinc/23/42/37/135234237.db2.gz BVJHDWCCNUZNFV-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO CC1(C)CC[C@@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261595723 135236388 /nfs/dbraw/zinc/23/63/88/135236388.db2.gz YIBILNYKWWOSDJ-NSHDSACASA-N 1 0 223.364 2.412 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1N(C)C ZINC000341316031 135236611 /nfs/dbraw/zinc/23/66/11/135236611.db2.gz VAIDIJDGTPFPSO-CYBMUJFWSA-N 1 0 248.370 2.027 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH+](CC)CC ZINC000341358395 135236636 /nfs/dbraw/zinc/23/66/36/135236636.db2.gz FGEQFYJFUIUDCN-CQSZACIVSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000341442602 135237717 /nfs/dbraw/zinc/23/77/17/135237717.db2.gz SMBAMFVZXGQJMF-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000341442601 135237818 /nfs/dbraw/zinc/23/78/18/135237818.db2.gz SMBAMFVZXGQJMF-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261601334 135237836 /nfs/dbraw/zinc/23/78/36/135237836.db2.gz AIFXJOWXMSXSJG-CQSZACIVSA-N 1 0 246.354 2.218 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000341433451 135239267 /nfs/dbraw/zinc/23/92/67/135239267.db2.gz IYHCFTPBTUZGJZ-SNVBAGLBSA-N 1 0 248.301 2.334 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341797713 135242176 /nfs/dbraw/zinc/24/21/76/135242176.db2.gz LFWXSGOWHWURCY-TZMCWYRMSA-N 1 0 238.375 2.141 20 30 BEEDRO N#CC1(c2nc(C3([NH3+])CCC3)no2)CCCCC1 ZINC000342017056 135246185 /nfs/dbraw/zinc/24/61/85/135246185.db2.gz DNRMZWMVRASSOA-UHFFFAOYSA-N 1 0 246.314 2.133 20 30 BEEDRO CC[C@]1(C)CCN(C(NC[C@@H]2C[C@@H]2C)=[NH+]C)C1 ZINC000261725276 135248114 /nfs/dbraw/zinc/24/81/14/135248114.db2.gz IWMKJDZSOPEAEO-SGMGOOAPSA-N 1 0 237.391 2.340 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1CCC(C)CC1 ZINC000261987684 135269433 /nfs/dbraw/zinc/26/94/33/135269433.db2.gz KNNHEMYFCYDVIM-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@H]2CC2(C)C)c1 ZINC000261987914 135269938 /nfs/dbraw/zinc/26/99/38/135269938.db2.gz KTBUBWHBEYPHGJ-NSHDSACASA-N 1 0 233.315 2.220 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@@H]1c1ccccc1)N(C)C ZINC000261995640 135270442 /nfs/dbraw/zinc/27/04/42/135270442.db2.gz NPGJKIBIVRCIGE-OLZOCXBDSA-N 1 0 231.343 2.022 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[C@@H]1C ZINC000261997285 135270570 /nfs/dbraw/zinc/27/05/70/135270570.db2.gz OFCKNIFLGZAFQJ-NWDGAFQWSA-N 1 0 223.364 2.293 20 30 BEEDRO C[C@H]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262195436 135285645 /nfs/dbraw/zinc/28/56/45/135285645.db2.gz ROOWSTALNZDUKT-JQWIXIFHSA-N 1 0 223.364 2.127 20 30 BEEDRO C[NH+]=C(NC1CC1)N1CC[C@@H](CC(C)C)C1 ZINC000262305228 135292094 /nfs/dbraw/zinc/29/20/94/135292094.db2.gz AEZOWAYOYQXXJA-NSHDSACASA-N 1 0 223.364 2.092 20 30 BEEDRO C[NH+]=C(NC1CC1)N1CC[C@H](CC(C)C)C1 ZINC000262305225 135292128 /nfs/dbraw/zinc/29/21/28/135292128.db2.gz AEZOWAYOYQXXJA-LLVKDONJSA-N 1 0 223.364 2.092 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000262330120 135293297 /nfs/dbraw/zinc/29/32/97/135293297.db2.gz FEKOVMXUWHQDLK-UTUOFQBUSA-N 1 0 223.364 2.149 20 30 BEEDRO CC/[NH+]=C(/N(C)C)N1CC[C@H](c2ccccc2)C1 ZINC000262478669 135301643 /nfs/dbraw/zinc/30/16/43/135301643.db2.gz QWMHFIUQYKWWJY-DQHOPXMZSA-N 1 0 245.370 2.413 20 30 BEEDRO CC[NH+]=C(NC1CC1)N1CC[C@@H](CC(C)C)C1 ZINC000262485715 135301943 /nfs/dbraw/zinc/30/19/43/135301943.db2.gz SMIAGQQOVBGIQY-LBPRGKRZSA-N 1 0 237.391 2.482 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NC2CCC2)c1 ZINC000262540980 135304374 /nfs/dbraw/zinc/30/43/74/135304374.db2.gz RVDDXDCGOMHYKL-UHFFFAOYSA-N 1 0 203.289 2.274 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000262611342 135308891 /nfs/dbraw/zinc/30/88/91/135308891.db2.gz BBXWCIZXMYHQOX-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO CN1CC[NH+]=C1NCC12CC3CC(CC(C3)C1)C2 ZINC000262642726 135310382 /nfs/dbraw/zinc/31/03/82/135310382.db2.gz IBNSRWYDUAWAFM-UHFFFAOYSA-N 1 0 247.386 2.094 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2csc3ccccc23)N1 ZINC000262667123 135312507 /nfs/dbraw/zinc/31/25/07/135312507.db2.gz PFMQPSRVZUNCDE-SECBINFHSA-N 1 0 245.351 2.339 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC2(C)CCCCCC2)N1 ZINC000262683078 135312966 /nfs/dbraw/zinc/31/29/66/135312966.db2.gz XEHXUDLDJLAODS-NSHDSACASA-N 1 0 223.364 2.284 20 30 BEEDRO C[NH+]=C(NC1CCC1)N1C[C@H](C)C[C@H](C)C1 ZINC000262787452 135318113 /nfs/dbraw/zinc/31/81/13/135318113.db2.gz MUWQSGLYWANSIW-PHIMTYICSA-N 1 0 223.364 2.092 20 30 BEEDRO C=C(C)CN(CC)Cc1ncc(C)n1C ZINC000342787465 135318496 /nfs/dbraw/zinc/31/84/96/135318496.db2.gz JEDDOBWAYUYRLF-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO CCC1(CNC(=[NH2+])NCC2CCC2)CCC1 ZINC000262814462 135320139 /nfs/dbraw/zinc/32/01/39/135320139.db2.gz OPTHAASFWUZLMI-UHFFFAOYSA-N 1 0 223.364 2.271 20 30 BEEDRO CC#CCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000342767653 135326631 /nfs/dbraw/zinc/32/66/31/135326631.db2.gz DXSXMDLAMCLEKB-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO C=Cc1ccc(CCNC2=[NH+]CCCN2C)cc1 ZINC000263029945 135327360 /nfs/dbraw/zinc/32/73/60/135327360.db2.gz BCOGRIOFGCZKHG-UHFFFAOYSA-N 1 0 243.354 2.153 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]1C1CCC1)NCC1CCC1 ZINC000263017605 135327465 /nfs/dbraw/zinc/32/74/65/135327465.db2.gz DJELPHHWZHGERN-STQMWFEESA-N 1 0 235.375 2.127 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC(C)(C)C2)N1 ZINC000263049435 135329326 /nfs/dbraw/zinc/32/93/26/135329326.db2.gz DGVAMKQVZXODBH-GHMZBOCLSA-N 1 0 223.364 2.140 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000263080365 135331307 /nfs/dbraw/zinc/33/13/07/135331307.db2.gz ROLXAIHXRTZAMQ-SUHUHFCYSA-N 1 0 249.333 2.327 20 30 BEEDRO CC(C)[C@@]1(C)C[C@@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263086942 135332050 /nfs/dbraw/zinc/33/20/50/135332050.db2.gz IMBXKDHTCLRHNV-GXFFZTMASA-N 1 0 232.331 2.243 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])N[C@@H]2CCC2(C)C)C1 ZINC000263125028 135334021 /nfs/dbraw/zinc/33/40/21/135334021.db2.gz FEOJTISGSIPZAE-GHMZBOCLSA-N 1 0 223.364 2.222 20 30 BEEDRO C[C@@H]1C[C@H](C[NH+]2CCC(C)(C#N)CC2)CCO1 ZINC000334297691 135335302 /nfs/dbraw/zinc/33/53/02/135335302.db2.gz AZDUSUFUTBDRFL-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(C2CCC2)CCC1 ZINC000263188183 135337692 /nfs/dbraw/zinc/33/76/92/135337692.db2.gz VDMNIPXNEKGWOB-UHFFFAOYSA-N 1 0 235.375 2.437 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@@H]1C[C@H]1c1ccccc1 ZINC000263190303 135338410 /nfs/dbraw/zinc/33/84/10/135338410.db2.gz VNYSETUSGDHZHO-KBPBESRZSA-N 1 0 243.354 2.071 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263214853 135340421 /nfs/dbraw/zinc/34/04/21/135340421.db2.gz ZRGCVKVDVNBMJT-JHJVBQTASA-N 1 0 237.391 2.468 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC000334306997 135349371 /nfs/dbraw/zinc/34/93/71/135349371.db2.gz DQMYGZVTLLOPPP-QWHCGFSZSA-N 1 0 243.354 2.083 20 30 BEEDRO CC(C)(C)CC[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000343139829 135360290 /nfs/dbraw/zinc/36/02/90/135360290.db2.gz MEMPIIDFXQCTOJ-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000265999541 135363602 /nfs/dbraw/zinc/36/36/02/135363602.db2.gz NBYVDFRNXGBNIX-OAHLLOKOSA-N 1 0 231.339 2.139 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(Br)o1 ZINC000269359807 135364080 /nfs/dbraw/zinc/36/40/80/135364080.db2.gz IZZFLKBTJGAQEZ-UHFFFAOYSA-N 1 0 243.104 2.435 20 30 BEEDRO CC#CC[NH2+][C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000079937561 135365072 /nfs/dbraw/zinc/36/50/72/135365072.db2.gz MTFZNPMVOSZKPT-JSGCOSHPSA-N 1 0 245.322 2.150 20 30 BEEDRO Cc1ccc(O)c(C[NH2+]CCCC#N)c1 ZINC000273084448 135365679 /nfs/dbraw/zinc/36/56/79/135365679.db2.gz RLKMUQLDMCAGQP-UHFFFAOYSA-N 1 0 204.273 2.094 20 30 BEEDRO COCc1ccc(C[NH2+]CCCC#N)cc1 ZINC000273012906 135365833 /nfs/dbraw/zinc/36/58/33/135365833.db2.gz CKJQCTWYKASZRI-UHFFFAOYSA-N 1 0 218.300 2.226 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cc(F)ccc1O ZINC000273371386 135366648 /nfs/dbraw/zinc/36/66/48/135366648.db2.gz AOUQWBYQOGNOLI-SECBINFHSA-N 1 0 222.263 2.486 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@H]1CO ZINC000334348937 135367717 /nfs/dbraw/zinc/36/77/17/135367717.db2.gz ZLHQTNFCCSHLGV-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[N@H+](Cc1cccnc1)[C@@H]1CC[C@H](C#N)C1 ZINC000334349294 135368030 /nfs/dbraw/zinc/36/80/30/135368030.db2.gz AAGYTKSGQZELHI-WCQYABFASA-N 1 0 215.300 2.206 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cn[nH]c1 ZINC000278658107 135368258 /nfs/dbraw/zinc/36/82/58/135368258.db2.gz IOATXUPJIITETG-NHCYSSNCSA-N 1 0 218.304 2.143 20 30 BEEDRO Cn1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)c1 ZINC000278854373 135368783 /nfs/dbraw/zinc/36/87/83/135368783.db2.gz VUSYRRIEWVGXQJ-AAEUAGOBSA-N 1 0 217.316 2.197 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000281394835 135370164 /nfs/dbraw/zinc/37/01/64/135370164.db2.gz PGXOZCGSGZFEGF-CQSZACIVSA-N 1 0 246.354 2.491 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284342809 135371563 /nfs/dbraw/zinc/37/15/63/135371563.db2.gz RGYKNRRHZZGGBE-KGLIPLIRSA-N 1 0 216.328 2.207 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000286200237 135372779 /nfs/dbraw/zinc/37/27/79/135372779.db2.gz RIGLSLLJKQUKCL-GFCCVEGCSA-N 1 0 234.368 2.407 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000289759152 135373696 /nfs/dbraw/zinc/37/36/96/135373696.db2.gz LOTHGQXJUYEFSR-RISCZKNCSA-N 1 0 219.328 2.447 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnccc1C)C(C)C ZINC000289677342 135373702 /nfs/dbraw/zinc/37/37/02/135373702.db2.gz ZLRFOJIBCVUGHK-ZDUSSCGKSA-N 1 0 202.301 2.137 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)s1 ZINC000289763505 135373934 /nfs/dbraw/zinc/37/39/34/135373934.db2.gz IGENOKUTRBDZMA-SSDOTTSWSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000289759146 135373950 /nfs/dbraw/zinc/37/39/50/135373950.db2.gz LOTHGQXJUYEFSR-BXUZGUMPSA-N 1 0 219.328 2.447 20 30 BEEDRO C[N@H+](CCOCCC#N)Cc1cccc(F)c1 ZINC000293580097 135376696 /nfs/dbraw/zinc/37/66/96/135376696.db2.gz TULOJECBGNGGJT-UHFFFAOYSA-N 1 0 236.290 2.188 20 30 BEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCCC#N ZINC000299732606 135380065 /nfs/dbraw/zinc/38/00/65/135380065.db2.gz XTESWNBLFGDSTH-UHFFFAOYSA-N 1 0 245.370 2.400 20 30 BEEDRO N#Cc1csc(CN2C[C@H]3CCC[C@@H]3C2)n1 ZINC000334398546 135388172 /nfs/dbraw/zinc/38/81/72/135388172.db2.gz XGNKGPBIOBIQNB-NXEZZACHSA-N 1 0 233.340 2.247 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000330851937 135393833 /nfs/dbraw/zinc/39/38/33/135393833.db2.gz QJVINANPLVEZII-ZDUSSCGKSA-N 1 0 243.310 2.252 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000355066877 135523628 /nfs/dbraw/zinc/52/36/28/135523628.db2.gz XGOINSUSEZEFSJ-HNNXBMFYSA-N 1 0 246.354 2.249 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000090181406 135546575 /nfs/dbraw/zinc/54/65/75/135546575.db2.gz JTIPORRJUMRBEY-TZMCWYRMSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1nnc2n1CCCC2 ZINC000183870440 135592144 /nfs/dbraw/zinc/59/21/44/135592144.db2.gz DWQOVTGSFJFTIR-LBPRGKRZSA-N 1 0 248.374 2.449 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000289754289 135620863 /nfs/dbraw/zinc/62/08/63/135620863.db2.gz LFYPAOMVEFDYDQ-AAEUAGOBSA-N 1 0 235.327 2.201 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000289842407 135625629 /nfs/dbraw/zinc/62/56/29/135625629.db2.gz PYTRKTBZGMGQLB-RBSFLKMASA-N 1 0 231.339 2.459 20 30 BEEDRO C#CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290222989 135634756 /nfs/dbraw/zinc/63/47/56/135634756.db2.gz WRSROBRJDOGMEM-HNNXBMFYSA-N 1 0 241.334 2.303 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000231934934 135641372 /nfs/dbraw/zinc/64/13/72/135641372.db2.gz ZYSNMYLVPDGXJY-GFCCVEGCSA-N 1 0 249.379 2.279 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353235634 135658329 /nfs/dbraw/zinc/65/83/29/135658329.db2.gz CBKWQPZXBJRZCA-LSDHHAIUSA-N 1 0 244.338 2.152 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(C#N)cs2)CCCN1C ZINC000344301457 135759713 /nfs/dbraw/zinc/75/97/13/135759713.db2.gz KNDWKYNKEFTYLI-MFKMUULPSA-N 1 0 249.383 2.192 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344333277 135763381 /nfs/dbraw/zinc/76/33/81/135763381.db2.gz QZDWEMTYIIBKFH-NWDGAFQWSA-N 1 0 248.374 2.233 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+]Cc1ccc(C#N)o1 ZINC000344765754 135793151 /nfs/dbraw/zinc/79/31/51/135793151.db2.gz PNJKMIFALUFVEK-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C=C(C)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000334862077 135826438 /nfs/dbraw/zinc/82/64/38/135826438.db2.gz PKUUJNFFGKMKTO-UHFFFAOYSA-N 1 0 209.337 2.209 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C=C[C@@H](CO)C1)C1CC1 ZINC000345062828 135882047 /nfs/dbraw/zinc/88/20/47/135882047.db2.gz QNQCCLXXTSTYSV-XBFCOCLRSA-N 1 0 221.344 2.258 20 30 BEEDRO COc1cc(C)nc(C[NH2+]CCCCC#N)c1 ZINC000347719377 136003772 /nfs/dbraw/zinc/00/37/72/136003772.db2.gz LISCYCYRTUEVCU-UHFFFAOYSA-N 1 0 233.315 2.182 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000348061500 136024943 /nfs/dbraw/zinc/02/49/43/136024943.db2.gz YWKPBYMWOOMLDA-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3ccc(O)cc3C2)C1 ZINC000335317968 136026147 /nfs/dbraw/zinc/02/61/47/136026147.db2.gz IEGIRBDSARRJJM-FZMZJTMJSA-N 1 0 242.322 2.443 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000348026982 136026748 /nfs/dbraw/zinc/02/67/48/136026748.db2.gz BBDOMGZAZXRCQH-LBPRGKRZSA-N 1 0 235.331 2.139 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000348042131 136029329 /nfs/dbraw/zinc/02/93/29/136029329.db2.gz YTVQVKHJUVKZSL-ZDUSSCGKSA-N 1 0 249.358 2.182 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000348047850 136029884 /nfs/dbraw/zinc/02/98/84/136029884.db2.gz LQWHLYDPOHUJJG-KBPBESRZSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCCC[N@@H+](C(C)C)C1CCOCC1 ZINC000348048581 136030420 /nfs/dbraw/zinc/03/04/20/136030420.db2.gz NAVDWPYYMKXMGU-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCc1ccccc1O ZINC000348053448 136031603 /nfs/dbraw/zinc/03/16/03/136031603.db2.gz VMBUIXYGMNSTTQ-UHFFFAOYSA-N 1 0 249.354 2.459 20 30 BEEDRO C=CCOCCCN1CCC([NH2+]C(C)C)CC1 ZINC000348056319 136031906 /nfs/dbraw/zinc/03/19/06/136031906.db2.gz RBUKKWVQYVISOO-UHFFFAOYSA-N 1 0 240.391 2.042 20 30 BEEDRO Cc1noc([C@@H](C)[NH2+]CCCC(C)(C)C#N)n1 ZINC000348095607 136035818 /nfs/dbraw/zinc/03/58/18/136035818.db2.gz JMVKGQWNVPYYDF-SECBINFHSA-N 1 0 236.319 2.359 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000348171453 136042880 /nfs/dbraw/zinc/04/28/80/136042880.db2.gz UQYJNXQPGZTQNH-AVGNSLFASA-N 1 0 227.348 2.077 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccc(=O)[nH]n1 ZINC000348217312 136046573 /nfs/dbraw/zinc/04/65/73/136046573.db2.gz PLZSOASBSGECQT-SNVBAGLBSA-N 1 0 248.330 2.163 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cnccn1 ZINC000348225447 136048373 /nfs/dbraw/zinc/04/83/73/136048373.db2.gz ZXVRXKVDCBLGPI-NSHDSACASA-N 1 0 232.331 2.457 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)o1 ZINC000335325004 136051482 /nfs/dbraw/zinc/05/14/82/136051482.db2.gz DADHJWJHKSAGDG-SMDDNHRTSA-N 1 0 246.310 2.152 20 30 BEEDRO Cn1nccc1C[N@H+](C)CCCC(C)(C)C#N ZINC000348403612 136076760 /nfs/dbraw/zinc/07/67/60/136076760.db2.gz MXBMEVAWJZUXEN-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1C#N ZINC000335389989 136090510 /nfs/dbraw/zinc/09/05/10/136090510.db2.gz YPBUIOCMJXIWPZ-NWDGAFQWSA-N 1 0 235.306 2.267 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CO[C@@H](C)C2)ccc1C#N ZINC000335392311 136091447 /nfs/dbraw/zinc/09/14/47/136091447.db2.gz KMLXHGLOHKPVTM-FZMZJTMJSA-N 1 0 230.311 2.134 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CC1CCC(OC)CC1 ZINC000894387898 583444005 /nfs/dbraw/zinc/44/40/05/583444005.db2.gz XSIUMDRHTCZGPE-CPCZMJQVSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC001646392878 1172738320 /nfs/dbraw/zinc/73/83/20/1172738320.db2.gz QWAZBXQAVJQARZ-KFWWJZLASA-N 1 0 235.371 2.273 20 30 BEEDRO Cc1ncsc1CCC[NH2+][C@H](C)CC#N ZINC001646530867 1172743790 /nfs/dbraw/zinc/74/37/90/1172743790.db2.gz UEZRNTBJEAIKAJ-SECBINFHSA-N 1 0 223.345 2.276 20 30 BEEDRO C=CCCCCC[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC001646548507 1172743878 /nfs/dbraw/zinc/74/38/78/1172743878.db2.gz QOOOWEHWINZISE-JHJVBQTASA-N 1 0 238.375 2.330 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CCCCC#N ZINC000181480370 397808561 /nfs/dbraw/zinc/80/85/61/397808561.db2.gz DTPOUSJJBKWGRL-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000248949649 397771659 /nfs/dbraw/zinc/77/16/59/397771659.db2.gz PLQUXDLHYASJCT-JSGCOSHPSA-N 1 0 240.391 2.435 20 30 BEEDRO Cn1cc(C[NH2+]Cc2cccc(F)c2)cc1C#N ZINC000189580367 397798465 /nfs/dbraw/zinc/79/84/65/397798465.db2.gz QJSQYZMDLMNKOD-UHFFFAOYSA-N 1 0 243.285 2.326 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])N1CCC[C@H](C)C1 ZINC000491668036 397849001 /nfs/dbraw/zinc/84/90/01/397849001.db2.gz NSXRICFZVUMATR-NWDGAFQWSA-N 1 0 221.348 2.045 20 30 BEEDRO C=C[C@H](C)[NH2+]CCCc1ccc(C)nc1 ZINC000309104287 397849268 /nfs/dbraw/zinc/84/92/68/397849268.db2.gz HDMRAIVNAFFXPA-NSHDSACASA-N 1 0 204.317 2.487 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c(Cl)cnn1C ZINC000394579021 397849975 /nfs/dbraw/zinc/84/99/75/397849975.db2.gz XWMIDVMGQMPFPM-UHFFFAOYSA-N 1 0 227.739 2.375 20 30 BEEDRO Cc1cnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000309189277 397852773 /nfs/dbraw/zinc/85/27/73/397852773.db2.gz PJNDZYAENSYGCB-ZJUUUORDSA-N 1 0 221.329 2.233 20 30 BEEDRO N#CC[C@]1(O)CC[N@H+](CCCC2CCCC2)C1 ZINC000592151401 397943550 /nfs/dbraw/zinc/94/35/50/397943550.db2.gz OJNFEJFYNWNTKN-AWEZNQCLSA-N 1 0 236.359 2.307 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000650163639 397949395 /nfs/dbraw/zinc/94/93/95/397949395.db2.gz PKPAJGZNXXGOHY-CHWSQXEVSA-N 1 0 223.360 2.271 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000650216895 397989810 /nfs/dbraw/zinc/98/98/10/397989810.db2.gz CQGJTCCEATWGET-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO COC[C@@H](CC(C)C)[NH2+]CC1(C#N)CCC1 ZINC000418140284 397990074 /nfs/dbraw/zinc/99/00/74/397990074.db2.gz JFPPZWDFZYUNQC-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](Cc1ccoc1)[NH2+]CC1(C#N)CCC1 ZINC000418140408 397990081 /nfs/dbraw/zinc/99/00/81/397990081.db2.gz JJVNNQBNMGFGTG-NSHDSACASA-N 1 0 218.300 2.494 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@@H](C)[C@@H](C)O1 ZINC000446073898 397991613 /nfs/dbraw/zinc/99/16/13/397991613.db2.gz PVPWAXPMEVTEFN-GRYCIOLGSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@H](C)[C@H](C)O1 ZINC000446073901 397991814 /nfs/dbraw/zinc/99/18/14/397991814.db2.gz PVPWAXPMEVTEFN-UTUOFQBUSA-N 1 0 210.321 2.178 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000491506607 398044491 /nfs/dbraw/zinc/04/44/91/398044491.db2.gz QLMSHPZIRHNKFM-LLVKDONJSA-N 1 0 248.301 2.108 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2cccnc2)c1 ZINC000093492312 398002217 /nfs/dbraw/zinc/00/22/17/398002217.db2.gz VVODZQCZDMABFJ-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO Cc1ccsc1C[NH+]1CC(CC#N)C1 ZINC000597194341 398011402 /nfs/dbraw/zinc/01/14/02/398011402.db2.gz RSSBIWTYKCBMBI-UHFFFAOYSA-N 1 0 206.314 2.402 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000645960440 398013253 /nfs/dbraw/zinc/01/32/53/398013253.db2.gz YHDBZQVOEQVBCH-LSDHHAIUSA-N 1 0 247.338 2.077 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000650264140 398018623 /nfs/dbraw/zinc/01/86/23/398018623.db2.gz WGNOTYCOPOIYOR-QWHCGFSZSA-N 1 0 241.400 2.143 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000491616316 398048209 /nfs/dbraw/zinc/04/82/09/398048209.db2.gz INVOIRXMWYTOQU-LLVKDONJSA-N 1 0 203.285 2.149 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000491615787 398048249 /nfs/dbraw/zinc/04/82/49/398048249.db2.gz GSIJZLSBZMFFSX-GFCCVEGCSA-N 1 0 233.311 2.028 20 30 BEEDRO C#CC[N@H+](CC#CC)CC1(CC)CCOCC1 ZINC000490937675 398029792 /nfs/dbraw/zinc/02/97/92/398029792.db2.gz VPBGCHFGZPGDRJ-UHFFFAOYSA-N 1 0 233.355 2.152 20 30 BEEDRO CCC(C)(C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598594692 398031904 /nfs/dbraw/zinc/03/19/04/398031904.db2.gz COFYAGMZCFRMAW-LLVKDONJSA-N 1 0 226.364 2.408 20 30 BEEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598595593 398031948 /nfs/dbraw/zinc/03/19/48/398031948.db2.gz PFFFYQSMUQBGSS-UPJWGTAASA-N 1 0 238.375 2.408 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(C2(O)CC2)CC1 ZINC000649670967 398032004 /nfs/dbraw/zinc/03/20/04/398032004.db2.gz BVGLCKHQVYTNBQ-GFCCVEGCSA-N 1 0 221.344 2.025 20 30 BEEDRO C=C(CC)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649671486 398032687 /nfs/dbraw/zinc/03/26/87/398032687.db2.gz XWOYUAQBOJYTGA-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(C2(O)CC2)CC1 ZINC000649670968 398033063 /nfs/dbraw/zinc/03/30/63/398033063.db2.gz BVGLCKHQVYTNBQ-LBPRGKRZSA-N 1 0 221.344 2.025 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000491305340 398037842 /nfs/dbraw/zinc/03/78/42/398037842.db2.gz IMNTVAXNUPHITO-OCCSQVGLSA-N 1 0 217.312 2.064 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000278578705 398038946 /nfs/dbraw/zinc/03/89/46/398038946.db2.gz JWIHTTGBVKXLSD-LBPRGKRZSA-N 1 0 218.304 2.240 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CO1 ZINC000595047152 397979472 /nfs/dbraw/zinc/97/94/72/397979472.db2.gz AOUGYWUCSUXHKK-UTUOFQBUSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCc1cncc(C)n1 ZINC000649594812 397982104 /nfs/dbraw/zinc/98/21/04/397982104.db2.gz PGOMERYYRWSXKY-CQSZACIVSA-N 1 0 231.343 2.368 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCc1cncc(C)n1 ZINC000649594811 397982562 /nfs/dbraw/zinc/98/25/62/397982562.db2.gz PGOMERYYRWSXKY-AWEZNQCLSA-N 1 0 231.343 2.368 20 30 BEEDRO C=CCOCC[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649718369 398060456 /nfs/dbraw/zinc/06/04/56/398060456.db2.gz YOKQKRNLPSMKPV-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1sccc1OC ZINC000186286743 398062725 /nfs/dbraw/zinc/06/27/25/398062725.db2.gz ANOCJQZDDJCLBU-VHSXEESVSA-N 1 0 241.356 2.344 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649721519 398064569 /nfs/dbraw/zinc/06/45/69/398064569.db2.gz ZGYJXSAQTARRJP-RDBSUJKOSA-N 1 0 241.375 2.203 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCCC1(F)F ZINC000491787514 398069017 /nfs/dbraw/zinc/06/90/17/398069017.db2.gz QSBKWDKPFPHCGS-NXEZZACHSA-N 1 0 201.260 2.375 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1 ZINC000491789494 398069741 /nfs/dbraw/zinc/06/97/41/398069741.db2.gz VBUUPRBRUFFOMZ-JTQLQIEISA-N 1 0 229.283 2.123 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)C1CCCCC1 ZINC000186716985 398071677 /nfs/dbraw/zinc/07/16/77/398071677.db2.gz UHPSVYFSLVGFMQ-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cccs1 ZINC000610812994 398071735 /nfs/dbraw/zinc/07/17/35/398071735.db2.gz UFYPSEMNKJINLZ-NSHDSACASA-N 1 0 249.383 2.387 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC000093067361 398093954 /nfs/dbraw/zinc/09/39/54/398093954.db2.gz RMZZPXQUEXTXLA-LBPRGKRZSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@H](C)CC)CC1 ZINC000093067360 398094279 /nfs/dbraw/zinc/09/42/79/398094279.db2.gz RMZZPXQUEXTXLA-GFCCVEGCSA-N 1 0 210.365 2.273 20 30 BEEDRO Cc1cc(CN[C@H](C)CC[NH+](C)C)ccc1C#N ZINC000443976477 398085430 /nfs/dbraw/zinc/08/54/30/398085430.db2.gz AJNJGAXPPYTQSG-CYBMUJFWSA-N 1 0 245.370 2.297 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000491667555 398057768 /nfs/dbraw/zinc/05/77/68/398057768.db2.gz ROHVPBGLZLDUOP-CYBMUJFWSA-N 1 0 239.322 2.326 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)s1)CC(C)(C)CO ZINC000294756267 398101279 /nfs/dbraw/zinc/10/12/79/398101279.db2.gz IQNBPDOLAWXWMY-UHFFFAOYSA-N 1 0 238.356 2.070 20 30 BEEDRO C=CCN(CCC#N)C[C@H](O)c1ccc(F)cc1 ZINC000292152673 398101893 /nfs/dbraw/zinc/10/18/93/398101893.db2.gz KGQIZMLNQYWGMG-AWEZNQCLSA-N 1 0 248.301 2.261 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000650334673 398117620 /nfs/dbraw/zinc/11/76/20/398117620.db2.gz MGGJONGEEQRWSN-ZDUSSCGKSA-N 1 0 223.360 2.394 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000266178210 398114296 /nfs/dbraw/zinc/11/42/96/398114296.db2.gz UFVKVDRCFSYARW-LBPRGKRZSA-N 1 0 246.354 2.445 20 30 BEEDRO COCC#CC[N@@H+]1CCc2ccccc2[C@H](C)C1 ZINC000649835778 398133911 /nfs/dbraw/zinc/13/39/11/398133911.db2.gz PZGQNEBNLMYHQT-CQSZACIVSA-N 1 0 243.350 2.298 20 30 BEEDRO CC(C)(C)C#CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001647938392 1172780835 /nfs/dbraw/zinc/78/08/35/1172780835.db2.gz OWTYHKGVKXPIJZ-UHFFFAOYSA-N 1 0 241.294 2.322 20 30 BEEDRO C[C@H](CCCC#N)N1CCC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001172500314 974854130 /nfs/dbraw/zinc/85/41/30/974854130.db2.gz LOJUTMQOHNMCJJ-MCIONIFRSA-N 1 0 235.375 2.095 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC001648252494 1172812309 /nfs/dbraw/zinc/81/23/09/1172812309.db2.gz HMUKJEDFSVIWIR-NFAWXSAZSA-N 1 0 249.354 2.206 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)Cc1ccon1 ZINC001172502669 974855617 /nfs/dbraw/zinc/85/56/17/974855617.db2.gz WBLBSUNZEGVSRT-SNVBAGLBSA-N 1 0 207.277 2.189 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1ncnn1CC ZINC001648526021 1172839550 /nfs/dbraw/zinc/83/95/50/1172839550.db2.gz KBEXWACJIHYGSK-GFCCVEGCSA-N 1 0 234.347 2.229 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H]2CCN(CC=C)C2=O)C1 ZINC000661380184 487560674 /nfs/dbraw/zinc/56/06/74/487560674.db2.gz BUNQCSLOIDAVJF-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCn2ccccc2=O)C1 ZINC000661380517 487561175 /nfs/dbraw/zinc/56/11/75/487561175.db2.gz NFVUXNOHRUQIGN-CQSZACIVSA-N 1 0 246.354 2.136 20 30 BEEDRO C=C1CCC(C(=O)NCC[C@@H](C)[NH2+]CC)CC1 ZINC001649443165 1172877947 /nfs/dbraw/zinc/87/79/47/1172877947.db2.gz NHCONACQCLJFPX-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)NC1(C)CC[NH+](CC)CC1 ZINC001671415365 1172880002 /nfs/dbraw/zinc/88/00/02/1172880002.db2.gz LDCASAWVNMREQQ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000674370741 487567000 /nfs/dbraw/zinc/56/70/00/487567000.db2.gz ARKRFZDRIDEAHB-AWEZNQCLSA-N 1 0 227.311 2.400 20 30 BEEDRO C[NH+]1CCC(CNc2cc(F)ccc2C#N)CC1 ZINC001650712713 1172895066 /nfs/dbraw/zinc/89/50/66/1172895066.db2.gz YTUSGLLZOWSHSF-UHFFFAOYSA-N 1 0 247.317 2.451 20 30 BEEDRO CC(C)OCCC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276759595 167210528 /nfs/dbraw/zinc/21/05/28/167210528.db2.gz MOYZCGYFRLNKST-UHFFFAOYSA-N 1 0 249.358 2.144 20 30 BEEDRO COCC#CC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000680385270 487581777 /nfs/dbraw/zinc/58/17/77/487581777.db2.gz JBPFZGLHXXSXSE-MRXNPFEDSA-N 1 0 243.350 2.247 20 30 BEEDRO CC(C)OCC[NH2+]Cc1ccc(C#N)s1 ZINC000135529640 167240660 /nfs/dbraw/zinc/24/06/60/167240660.db2.gz GVYLQPMCRGMLPP-UHFFFAOYSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](CC)CC1 ZINC000393874980 487587450 /nfs/dbraw/zinc/58/74/50/487587450.db2.gz FVVXIXMLVOLQQB-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000285187154 166110174 /nfs/dbraw/zinc/11/01/74/166110174.db2.gz AMTPXUZWGOEJCQ-UHFFFAOYSA-N 1 0 245.322 2.317 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000680421514 487590296 /nfs/dbraw/zinc/59/02/96/487590296.db2.gz SROGWLWYVTYFFH-DGCLKSJQSA-N 1 0 237.347 2.052 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000680421516 487590486 /nfs/dbraw/zinc/59/04/86/487590486.db2.gz SROGWLWYVTYFFH-YPMHNXCESA-N 1 0 237.347 2.052 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000279153642 166111224 /nfs/dbraw/zinc/11/12/24/166111224.db2.gz ASBLIUOHIMFJJY-UHFFFAOYSA-N 1 0 232.283 2.438 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000680471656 487601685 /nfs/dbraw/zinc/60/16/85/487601685.db2.gz LHPZGLYQLCARJT-OLZOCXBDSA-N 1 0 234.343 2.286 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc2nccn21 ZINC000179429418 166126989 /nfs/dbraw/zinc/12/69/89/166126989.db2.gz JTOUFJMLEIIERX-UHFFFAOYSA-N 1 0 227.311 2.227 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000165938311 166127180 /nfs/dbraw/zinc/12/71/80/166127180.db2.gz BVSITRDCBUVWPD-UHFFFAOYSA-N 1 0 219.332 2.357 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000271066019 166128982 /nfs/dbraw/zinc/12/89/82/166128982.db2.gz UMDACDZXNIWZEO-CQSZACIVSA-N 1 0 217.312 2.065 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000270998786 166128993 /nfs/dbraw/zinc/12/89/93/166128993.db2.gz FUYSSYFWIXCBAF-UHFFFAOYSA-N 1 0 232.283 2.440 20 30 BEEDRO C#CCCC[N@@H+](CC)CCc1nccs1 ZINC000271069596 166129340 /nfs/dbraw/zinc/12/93/40/166129340.db2.gz VFLGEZXYTZOMQB-UHFFFAOYSA-N 1 0 222.357 2.421 20 30 BEEDRO C#CCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000169114430 166130803 /nfs/dbraw/zinc/13/08/03/166130803.db2.gz ZKBAWVGFQIRIIT-INIZCTEOSA-N 1 0 242.366 2.389 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000679575923 487608217 /nfs/dbraw/zinc/60/82/17/487608217.db2.gz DYOYJKZWPXOOCU-GFCCVEGCSA-N 1 0 235.327 2.032 20 30 BEEDRO C#CCCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281636112 166132571 /nfs/dbraw/zinc/13/25/71/166132571.db2.gz IPVRCGOZYOXKCD-MRXNPFEDSA-N 1 0 243.350 2.214 20 30 BEEDRO C#CCCC[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000273474531 166133452 /nfs/dbraw/zinc/13/34/52/166133452.db2.gz GMJLCQSEXKJDGX-LBPRGKRZSA-N 1 0 221.300 2.279 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000271356673 166134835 /nfs/dbraw/zinc/13/48/35/166134835.db2.gz IGBGXQBRDGALSJ-ZDUSSCGKSA-N 1 0 202.301 2.488 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000270529582 166135625 /nfs/dbraw/zinc/13/56/25/166135625.db2.gz FFPHJRHAYUVFNA-YVEFUNNKSA-N 1 0 249.379 2.440 20 30 BEEDRO C=CCCN1c2ccccc2CC[C@H]1C[NH3+] ZINC000662307555 409628616 /nfs/dbraw/zinc/62/86/16/409628616.db2.gz XETPPMMEMIDJAH-ZDUSSCGKSA-N 1 0 216.328 2.343 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@H](CC)CCC)CCC[NH2+]1 ZINC000662546673 409752688 /nfs/dbraw/zinc/75/26/88/409752688.db2.gz ZEUBMMFRHKMDQP-TZMCWYRMSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[C@H](C)[NH3+] ZINC000662603659 409776754 /nfs/dbraw/zinc/77/67/54/409776754.db2.gz YTONDHXZNSGVFT-YNEHKIRRSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@]1(C(=O)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662436835 409717644 /nfs/dbraw/zinc/71/76/44/409717644.db2.gz DAJYFILVDGSFTK-GXTWGEPZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000655246986 409719586 /nfs/dbraw/zinc/71/95/86/409719586.db2.gz KUSPJBBXFSKRMS-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)c2ccc(C[NH3+])o2)C1 ZINC000662630485 409803929 /nfs/dbraw/zinc/80/39/29/409803929.db2.gz KBROTRYMKOVPPQ-NSHDSACASA-N 1 0 248.326 2.167 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000662951946 409986596 /nfs/dbraw/zinc/98/65/96/409986596.db2.gz ATWPGZPHBOSFJM-NEPJUHHUSA-N 1 0 238.375 2.365 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308918328 409937028 /nfs/dbraw/zinc/93/70/28/409937028.db2.gz IBUJZPKVAAJWCV-TUUUFIMRSA-N 1 0 209.333 2.092 20 30 BEEDRO N#CCCN(Cc1ccccn1)CC1CC1 ZINC000081514632 410075686 /nfs/dbraw/zinc/07/56/86/410075686.db2.gz HYPIBIFQUCZWCY-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccnn1CC ZINC000663470403 410269358 /nfs/dbraw/zinc/26/93/58/410269358.db2.gz OOEOENOMPAASEK-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO Cc1nc(C)c(CN(C)C[C@@H](C)C#N)s1 ZINC000266028209 487615101 /nfs/dbraw/zinc/61/51/01/487615101.db2.gz ZDKYTGPVOLGSOT-QMMMGPOBSA-N 1 0 223.345 2.351 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccco2)CC1 ZINC000661161043 410312145 /nfs/dbraw/zinc/31/21/45/410312145.db2.gz KAQZTXSIQGSKKA-UHFFFAOYSA-N 1 0 203.285 2.482 20 30 BEEDRO C=CC[N@@H+](CCOC1CCC1)[C@H](C)COC ZINC000661239658 410399690 /nfs/dbraw/zinc/39/96/90/410399690.db2.gz IJBSHZHQHJUKLP-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[N@@H+](CCC1(OC)CCC1)[C@H](C)COC ZINC000661239728 410400191 /nfs/dbraw/zinc/40/01/91/410400191.db2.gz ISTGITIOTXBJLY-CYBMUJFWSA-N 1 0 241.375 2.469 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000034873322 166159804 /nfs/dbraw/zinc/15/98/04/166159804.db2.gz KFYDBROQPJKCSA-LLVKDONJSA-N 1 0 232.283 2.091 20 30 in-vitro BEEDRO C#CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21 ZINC000192235882 166161295 /nfs/dbraw/zinc/16/12/95/166161295.db2.gz MLDUZPDPQOZQJB-ZDUSSCGKSA-N 1 0 203.260 2.378 20 30 BEEDRO C#CC[N@@H+](CCCCO)Cc1ccc(F)cc1 ZINC000264000488 166169920 /nfs/dbraw/zinc/16/99/20/166169920.db2.gz NODUAECATFGTJO-UHFFFAOYSA-N 1 0 235.302 2.033 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C1CC1 ZINC000274076967 166171056 /nfs/dbraw/zinc/17/10/56/166171056.db2.gz GOEHULCMZRHKAS-UHFFFAOYSA-N 1 0 242.322 2.243 20 30 BEEDRO C#CC[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000157176992 166190968 /nfs/dbraw/zinc/19/09/68/166190968.db2.gz XBJDONRHCOCPMX-LBPRGKRZSA-N 1 0 231.295 2.132 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)cc1 ZINC000189099774 166198518 /nfs/dbraw/zinc/19/85/18/166198518.db2.gz OYCUMFKNDRUUSS-QWHCGFSZSA-N 1 0 247.338 2.212 20 30 BEEDRO C#CC[C@@H]([NH2+]CCOCCOC)c1ccccc1 ZINC000271749388 166205227 /nfs/dbraw/zinc/20/52/27/166205227.db2.gz XEYFOPLPRTVBAY-OAHLLOKOSA-N 1 0 247.338 2.004 20 30 BEEDRO C#CC[C@@H]([NH2+]CCOCC)c1ccccc1 ZINC000271704831 166205823 /nfs/dbraw/zinc/20/58/23/166205823.db2.gz NFSWVVNVDXTYEL-CQSZACIVSA-N 1 0 217.312 2.377 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CCC(C)C)n1 ZINC000279677870 166207578 /nfs/dbraw/zinc/20/75/78/166207578.db2.gz GGNKATGUBJSQJY-UHFFFAOYSA-N 1 0 233.359 2.384 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000336888717 166232327 /nfs/dbraw/zinc/23/23/27/166232327.db2.gz FNTUBSXOEJQJDM-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000085820599 166233307 /nfs/dbraw/zinc/23/33/07/166233307.db2.gz BKIVRSMMXCTUDE-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=CCCC[N@H+]1CCCCC[C@H]1C(=O)OC ZINC000364694440 166234091 /nfs/dbraw/zinc/23/40/91/166234091.db2.gz GRDPRWFMLXDGLJ-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC[NH2+]Cc1c(Cl)cnn1C ZINC000279235240 166241551 /nfs/dbraw/zinc/24/15/51/166241551.db2.gz ZCRJHDBVWHYEKE-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CCn1cccn1 ZINC000279854110 166241715 /nfs/dbraw/zinc/24/17/15/166241715.db2.gz DPQFHYSLAQIVFJ-LBPRGKRZSA-N 1 0 207.321 2.218 20 30 BEEDRO C=CCCC[NH2+]Cc1nc(C)ccc1O ZINC000279044992 166242330 /nfs/dbraw/zinc/24/23/30/166242330.db2.gz CXBOMFOEBXHSHF-UHFFFAOYSA-N 1 0 206.289 2.151 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000276470844 166255681 /nfs/dbraw/zinc/25/56/81/166255681.db2.gz RRSCTVHHDKRHNG-UHFFFAOYSA-N 1 0 228.336 2.019 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)c1ccccc1F ZINC000276532369 166255696 /nfs/dbraw/zinc/25/56/96/166255696.db2.gz ZZMUIBIUMKBTPV-ZDUSSCGKSA-N 1 0 223.291 2.367 20 30 BEEDRO C=CCC[N@@H+](C)Cc1nc(C)ccc1O ZINC000276076037 166258315 /nfs/dbraw/zinc/25/83/15/166258315.db2.gz APAAJTPMXSLHGC-UHFFFAOYSA-N 1 0 206.289 2.104 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000276354957 166259252 /nfs/dbraw/zinc/25/92/52/166259252.db2.gz DVADERLBCKDMBP-CQSZACIVSA-N 1 0 246.354 2.324 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCc2ccccc2NC1=O ZINC000277063406 166259655 /nfs/dbraw/zinc/25/96/55/166259655.db2.gz WEVHSJFVXVMRER-CQSZACIVSA-N 1 0 244.338 2.448 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(OC)c1O ZINC000276136724 166259992 /nfs/dbraw/zinc/25/99/92/166259992.db2.gz MQZMIGMGOGKWNF-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270858686 166264351 /nfs/dbraw/zinc/26/43/51/166264351.db2.gz JMLGVHOUZKYMAU-LBPRGKRZSA-N 1 0 246.358 2.438 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](N2CCCC2)[C@@H](SC)C1 ZINC000338563054 166266509 /nfs/dbraw/zinc/26/65/09/166266509.db2.gz HYUIGUCQFWCIHN-OLZOCXBDSA-N 1 0 240.416 2.074 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000338564281 166266824 /nfs/dbraw/zinc/26/68/24/166266824.db2.gz PZDYFMBXYWDASY-OCCSQVGLSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCC[NH2+][C@@H](CCO)c1ccc(OC)cc1 ZINC000271670735 166267706 /nfs/dbraw/zinc/26/77/06/166267706.db2.gz MXNHXLJYYBOZSY-AWEZNQCLSA-N 1 0 235.327 2.284 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1ccncc1 ZINC000155625609 166270687 /nfs/dbraw/zinc/27/06/87/166270687.db2.gz NLIOHHAMYWAYOV-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1nccn1C ZINC000167250933 166296229 /nfs/dbraw/zinc/29/62/29/166296229.db2.gz FHYKICWDARWPCD-LLVKDONJSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1c1cccn1C ZINC000178031884 166297475 /nfs/dbraw/zinc/29/74/75/166297475.db2.gz RZVGFMKUWDDQMR-HIFRSBDPSA-N 1 0 248.370 2.489 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000336757304 166300331 /nfs/dbraw/zinc/30/03/31/166300331.db2.gz KABNRJXVSFDWFG-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@@H](CO)O1 ZINC000340421093 166301864 /nfs/dbraw/zinc/30/18/64/166301864.db2.gz SZTRZGGXTGYYAY-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336740839 166302569 /nfs/dbraw/zinc/30/25/69/166302569.db2.gz MOKXOZVJRNGFKM-WDEREUQCSA-N 1 0 219.332 2.211 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000268640768 166304082 /nfs/dbraw/zinc/30/40/82/166304082.db2.gz MOAAAQVJJVRSJO-HNNXBMFYSA-N 1 0 244.338 2.317 20 30 BEEDRO C=CC[N@H+](C)CCOc1ccccc1C(C)=O ZINC000189081508 166321837 /nfs/dbraw/zinc/32/18/37/166321837.db2.gz NTANTCYBSHPIBB-UHFFFAOYSA-N 1 0 233.311 2.386 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000275114049 166322693 /nfs/dbraw/zinc/32/26/93/166322693.db2.gz DWBJWJORPUWMFD-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000171956759 166325023 /nfs/dbraw/zinc/32/50/23/166325023.db2.gz XHJHSMKVBYHECI-JTQLQIEISA-N 1 0 228.336 2.017 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC=C(C)CC1 ZINC000270367049 166330016 /nfs/dbraw/zinc/33/00/16/166330016.db2.gz SPPYYVGGOHBVBS-AWEZNQCLSA-N 1 0 248.370 2.228 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1sc(C)nc1C ZINC000189421579 166341919 /nfs/dbraw/zinc/34/19/19/166341919.db2.gz YBQNPWTVDVPLSI-UHFFFAOYSA-N 1 0 240.372 2.394 20 30 BEEDRO C=CC[N@@H+](CCCCO)Cc1ccc(OC)cc1 ZINC000170871541 166342263 /nfs/dbraw/zinc/34/22/63/166342263.db2.gz CDESXAZXZUSVCY-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[N@@H+](Cc1cc2c(cc1O)OCO2)C1CC1 ZINC000271366148 166345466 /nfs/dbraw/zinc/34/54/66/166345466.db2.gz ZEPGGPYWUXZNEF-UHFFFAOYSA-N 1 0 247.294 2.271 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)COCC ZINC000264981486 166345885 /nfs/dbraw/zinc/34/58/85/166345885.db2.gz KVPMSBGDWNVOJB-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO C=CC[N@@H+](Cc1nc(C)ccc1O)C1CC1 ZINC000273497410 166349383 /nfs/dbraw/zinc/34/93/83/166349383.db2.gz OOFPCGSBPVWOGH-UHFFFAOYSA-N 1 0 218.300 2.246 20 30 BEEDRO C=CC[N@H+](Cc1cnn2ccccc12)C1CC1 ZINC000273549861 166349690 /nfs/dbraw/zinc/34/96/90/166349690.db2.gz YQPFPXSTLLRYPS-UHFFFAOYSA-N 1 0 227.311 2.485 20 30 BEEDRO C=CC[NH+]1CCC(NCc2ccco2)CC1 ZINC000163927694 166352640 /nfs/dbraw/zinc/35/26/40/166352640.db2.gz OEYAVKRMDXJJBM-UHFFFAOYSA-N 1 0 220.316 2.020 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C2=CCCCC2)CC1 ZINC000275642262 166352697 /nfs/dbraw/zinc/35/26/97/166352697.db2.gz BNHODYSCINIPGS-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000267415969 166352793 /nfs/dbraw/zinc/35/27/93/166352793.db2.gz SSYRNLRDMOVAML-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO C=CCN1CCOC[C@@H]1CC(=O)c1ccccc1 ZINC000119292688 166357170 /nfs/dbraw/zinc/35/71/70/166357170.db2.gz GYRMSSHSCNRQPK-AWEZNQCLSA-N 1 0 245.322 2.146 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C)cc1 ZINC000172522264 166383037 /nfs/dbraw/zinc/38/30/37/166383037.db2.gz YFODQTUSXHEDFF-CYBMUJFWSA-N 1 0 246.354 2.118 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cc(=O)c(O)co2)C1 ZINC000661381202 410596960 /nfs/dbraw/zinc/59/69/60/410596960.db2.gz XKCVVAWSWYWUGT-NSHDSACASA-N 1 0 249.310 2.134 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cnns2)C1 ZINC000661386005 410603077 /nfs/dbraw/zinc/60/30/77/410603077.db2.gz QXSFOSAJXGKYIT-SNVBAGLBSA-N 1 0 223.345 2.326 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nncn2C)C1 ZINC000661385937 410603344 /nfs/dbraw/zinc/60/33/44/410603344.db2.gz QVNLVCCYIAWDLC-NWDGAFQWSA-N 1 0 234.347 2.164 20 30 BEEDRO CC(C)[NH2+]C1CCN(Cc2ccc(C#N)o2)CC1 ZINC000179833755 167095726 /nfs/dbraw/zinc/09/57/26/167095726.db2.gz WHJXFYOUZMLAEG-UHFFFAOYSA-N 1 0 247.342 2.114 20 30 BEEDRO CC(C)OCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336773576 167225140 /nfs/dbraw/zinc/22/51/40/167225140.db2.gz YYWJHEQEHQEHPH-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000046518240 167228486 /nfs/dbraw/zinc/22/84/86/167228486.db2.gz AHANECJLLYIXAE-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C#N)cc1F ZINC000092631201 410993549 /nfs/dbraw/zinc/99/35/49/410993549.db2.gz YBUXHQNZQDOQNG-GFCCVEGCSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC(=O)N(CC)C1 ZINC000652014513 410944274 /nfs/dbraw/zinc/94/42/74/410944274.db2.gz BTEYNVLEKBFGCL-RWMBFGLXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@@H]1COCCO1 ZINC000661611619 411051728 /nfs/dbraw/zinc/05/17/28/411051728.db2.gz LHIFCWJBTWDUGJ-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cnc(C)s1 ZINC000651433369 411025732 /nfs/dbraw/zinc/02/57/32/411025732.db2.gz STVZRKSWMQKMOY-GDPRMGEGSA-N 1 0 238.356 2.446 20 30 BEEDRO C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152421 411132341 /nfs/dbraw/zinc/13/23/41/411132341.db2.gz XMIIMAOAKFJJAJ-SMDDNHRTSA-N 1 0 248.301 2.237 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCOCCOC)C1 ZINC000651670128 411133864 /nfs/dbraw/zinc/13/38/64/411133864.db2.gz WUQPRPKQNVSMFO-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000651671721 411134826 /nfs/dbraw/zinc/13/48/26/411134826.db2.gz BLMZESIVAONSSD-QWRGUYRKSA-N 1 0 205.305 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000651689451 411136229 /nfs/dbraw/zinc/13/62/29/411136229.db2.gz VNLVODCDVJRNSP-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000651689452 411136395 /nfs/dbraw/zinc/13/63/95/411136395.db2.gz VNLVODCDVJRNSP-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2nc(C)no2)C1 ZINC000651706791 411137169 /nfs/dbraw/zinc/13/71/69/411137169.db2.gz MRSVKZDOTLISKH-RYUDHWBXSA-N 1 0 235.331 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CCC)C1 ZINC000651709428 411137720 /nfs/dbraw/zinc/13/77/20/411137720.db2.gz WTWNFAABXGDIMC-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000651714140 411137888 /nfs/dbraw/zinc/13/78/88/411137888.db2.gz QZRXTBHBJCJNBV-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651713105 411138095 /nfs/dbraw/zinc/13/80/95/411138095.db2.gz CHNXFFYUJAZCIV-GFCCVEGCSA-N 1 0 242.326 2.322 20 30 BEEDRO CN(CC[NH+]1CCCCC1)CCC(C)(C)C#N ZINC000593111571 411138135 /nfs/dbraw/zinc/13/81/35/411138135.db2.gz GTWWYQJYJFRCCU-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(C)C)C1 ZINC000651712647 411138142 /nfs/dbraw/zinc/13/81/42/411138142.db2.gz NBUJJRUPFGXLBQ-UPJWGTAASA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)CCO)C1 ZINC000651719376 411138393 /nfs/dbraw/zinc/13/83/93/411138393.db2.gz RSYVHHXZIBXKPH-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000651726757 411138892 /nfs/dbraw/zinc/13/88/92/411138892.db2.gz YNZWPUWVSOLUPV-ZOBORPQBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)CCO)C1 ZINC000651724725 411139271 /nfs/dbraw/zinc/13/92/71/411139271.db2.gz DYFXDLRSQUYMOK-UPJWGTAASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCSC2)C1 ZINC000651730190 411139374 /nfs/dbraw/zinc/13/93/74/411139374.db2.gz CDNYWDGFDUDIOA-JHJVBQTASA-N 1 0 241.400 2.189 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000651740417 411140475 /nfs/dbraw/zinc/14/04/75/411140475.db2.gz ACFXGBYRIBIQGR-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000651749803 411140982 /nfs/dbraw/zinc/14/09/82/411140982.db2.gz KFQGKBFDIIIUIZ-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)N(C)C)C1 ZINC000651752091 411141733 /nfs/dbraw/zinc/14/17/33/411141733.db2.gz UMKSHBCKCIXKEM-JHJVBQTASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000651785010 411143534 /nfs/dbraw/zinc/14/35/34/411143534.db2.gz MDYLKGKHWVGZJU-LPEHRKFASA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(=O)N(C)CC)C1 ZINC000651784334 411143673 /nfs/dbraw/zinc/14/36/73/411143673.db2.gz LJKPMBBQANAXHQ-UPJWGTAASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2CC(O)C2)C1 ZINC000651786384 411143720 /nfs/dbraw/zinc/14/37/20/411143720.db2.gz VDYZQPCNJKKEOE-ZIHBUVQPSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000651786382 411143814 /nfs/dbraw/zinc/14/38/14/411143814.db2.gz VDYZQPCNJKKEOE-NELGMTEASA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCCCO)C1 ZINC000651789496 411143905 /nfs/dbraw/zinc/14/39/05/411143905.db2.gz PHKRPJVHYQQACP-OLZOCXBDSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000651791312 411143966 /nfs/dbraw/zinc/14/39/66/411143966.db2.gz QBMATVWLLYYMMF-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000651791313 411144126 /nfs/dbraw/zinc/14/41/26/411144126.db2.gz QBMATVWLLYYMMF-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000651806989 411144759 /nfs/dbraw/zinc/14/47/59/411144759.db2.gz GPXYPQWXKSVWMT-XQQFMLRXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC2(CO)CC2)C1 ZINC000651823370 411145601 /nfs/dbraw/zinc/14/56/01/411145601.db2.gz FTMKCSZBFHBINT-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CCO)COC ZINC000657885929 411153063 /nfs/dbraw/zinc/15/30/63/411153063.db2.gz AQLDKXGNQJNZSK-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cccc(C#N)n1 ZINC000267251277 169800705 /nfs/dbraw/zinc/80/07/05/169800705.db2.gz UOLIIQSRWVGWCL-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC[C@@]1(O)CCOC1 ZINC000651944669 411159061 /nfs/dbraw/zinc/15/90/61/411159061.db2.gz CFYZEIJDYIHQSS-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648517459 411172358 /nfs/dbraw/zinc/17/23/58/411172358.db2.gz JUBVOVHNZUWKOK-CVEARBPZSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648517462 411172381 /nfs/dbraw/zinc/17/23/81/411172381.db2.gz JUBVOVHNZUWKOK-JKSUJKDBSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000657941606 411175377 /nfs/dbraw/zinc/17/53/77/411175377.db2.gz XYNCXJVWFQNKQO-NEPJUHHUSA-N 1 0 222.336 2.001 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCn1cncn1 ZINC000657943117 411176469 /nfs/dbraw/zinc/17/64/69/411176469.db2.gz IPTPEWKFSTUUJW-KGLIPLIRSA-N 1 0 248.374 2.393 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCn1cncn1 ZINC000657943119 411176540 /nfs/dbraw/zinc/17/65/40/411176540.db2.gz IPTPEWKFSTUUJW-ZIAGYGMSSA-N 1 0 248.374 2.393 20 30 BEEDRO C=CCOCC[NH2+]C1CCC(OCC)CC1 ZINC000657970979 411182858 /nfs/dbraw/zinc/18/28/58/411182858.db2.gz HATRAEWXRCHHMY-UHFFFAOYSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCN2CCC2)C1 ZINC000655754382 411184166 /nfs/dbraw/zinc/18/41/66/411184166.db2.gz PBUVNUCNZVIENX-KGLIPLIRSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H](CC)CO ZINC000657980931 411187249 /nfs/dbraw/zinc/18/72/49/411187249.db2.gz AIEJODYVGLFDAU-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H](CC)CO ZINC000657980927 411188007 /nfs/dbraw/zinc/18/80/07/411188007.db2.gz AIEJODYVGLFDAU-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCN1CC[NH+](C(C)(C)CC)CC1 ZINC000653809050 411189184 /nfs/dbraw/zinc/18/91/84/411189184.db2.gz LJEJRBLMVHQPPD-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2(C(C)C)CC2)nn1 ZINC000653705259 411195331 /nfs/dbraw/zinc/19/53/31/411195331.db2.gz ZJNFDWIBSYPQBZ-UHFFFAOYSA-N 1 0 234.347 2.132 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001172508960 974861635 /nfs/dbraw/zinc/86/16/35/974861635.db2.gz ICFZVWWMURMNLZ-HZSPNIEDSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC ZINC000658021175 411199432 /nfs/dbraw/zinc/19/94/32/411199432.db2.gz OQPXTUMHQLNBHA-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@@H](O)C1 ZINC000658032487 411210543 /nfs/dbraw/zinc/21/05/43/411210543.db2.gz SROZRRALVNAIOG-FVCCEPFGSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](CO)CCF ZINC000658043402 411216300 /nfs/dbraw/zinc/21/63/00/411216300.db2.gz HGKMXFQHBGJSRI-FRRDWIJNSA-N 1 0 229.339 2.431 20 30 BEEDRO C[NH+](C)CCNc1cccc(Cl)c1C#N ZINC000048935338 411221069 /nfs/dbraw/zinc/22/10/69/411221069.db2.gz OOGJTTOXEDTKAR-UHFFFAOYSA-N 1 0 223.707 2.185 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](COC)OC ZINC000658084844 411234563 /nfs/dbraw/zinc/23/45/63/411234563.db2.gz PJFIHYOKSXSPPA-YNEHKIRRSA-N 1 0 229.364 2.228 20 30 BEEDRO C=CCSCCN[C@@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422941070 411234948 /nfs/dbraw/zinc/23/49/48/411234948.db2.gz HMXVPWLGKZUEBW-RYUDHWBXSA-N 1 0 228.405 2.026 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@](C)(CO)OC ZINC000655787632 411236152 /nfs/dbraw/zinc/23/61/52/411236152.db2.gz YBQSLOHZSZUVKK-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)C1CCC1 ZINC000658087677 411238894 /nfs/dbraw/zinc/23/88/94/411238894.db2.gz MDCKYUVOWBZVRH-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000658089098 411240876 /nfs/dbraw/zinc/24/08/76/411240876.db2.gz WZXMOJVJFKWWLQ-DMDPSCGWSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2(COC)CC2)C1 ZINC000652179452 411166734 /nfs/dbraw/zinc/16/67/34/411166734.db2.gz OCQSIGCCOWQAKT-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657919860 411166819 /nfs/dbraw/zinc/16/68/19/411166819.db2.gz XTFKYZMJKOXQQO-MNOVXSKESA-N 1 0 205.305 2.272 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000657919862 411166954 /nfs/dbraw/zinc/16/69/54/411166954.db2.gz XTFKYZMJKOXQQO-QWRGUYRKSA-N 1 0 205.305 2.272 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H](C)C1(CO)CC1)C1CC1 ZINC000658157581 411271181 /nfs/dbraw/zinc/27/11/81/411271181.db2.gz ZWEJXUNUWPIQMK-DGCLKSJQSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C1(CO)CC1 ZINC000658159319 411272473 /nfs/dbraw/zinc/27/24/73/411272473.db2.gz IQKDIXVXPAGBGM-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(CC)Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000656452828 411275150 /nfs/dbraw/zinc/27/51/50/411275150.db2.gz ALNZVJITSBVYRT-UHFFFAOYSA-N 1 0 248.374 2.273 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000615136942 411275853 /nfs/dbraw/zinc/27/58/53/411275853.db2.gz LQYUJCJWZIUGNC-OLZOCXBDSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cncnc1C ZINC000658206608 411293651 /nfs/dbraw/zinc/29/36/51/411293651.db2.gz PAQSCQRNRAVFIQ-NSHDSACASA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cscn1 ZINC000658209595 411294201 /nfs/dbraw/zinc/29/42/01/411294201.db2.gz HSLRIQIOQCTPGO-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000658208939 411294645 /nfs/dbraw/zinc/29/46/45/411294645.db2.gz AEAMMMBEDDKRNT-ZDUSSCGKSA-N 1 0 249.354 2.422 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000658208928 411294695 /nfs/dbraw/zinc/29/46/95/411294695.db2.gz AEAMMMBEDDKRNT-CYBMUJFWSA-N 1 0 249.354 2.422 20 30 BEEDRO Cc1nccn1CCC[NH2+]C1CCC(C#N)CC1 ZINC000602517261 411296450 /nfs/dbraw/zinc/29/64/50/411296450.db2.gz DOTGNNRXZGIXNA-UHFFFAOYSA-N 1 0 246.358 2.254 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(C#N)nc1 ZINC000291168319 411302862 /nfs/dbraw/zinc/30/28/62/411302862.db2.gz QSUFJMCKAMZRBE-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCn2ccnc21 ZINC000655773044 411255866 /nfs/dbraw/zinc/25/58/66/411255866.db2.gz WQDGQLCTWWVSJV-UPJWGTAASA-N 1 0 247.342 2.041 20 30 BEEDRO C=CCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000662091566 411360700 /nfs/dbraw/zinc/36/07/00/411360700.db2.gz ACVBHQKTRILBCR-UHFFFAOYSA-N 1 0 219.284 2.163 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000658933130 411362309 /nfs/dbraw/zinc/36/23/09/411362309.db2.gz ZMWPQRUICYYDSJ-AVGNSLFASA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCC1(CNC(=O)C2([NH3+])CC2)CCCC1 ZINC000659334417 411363034 /nfs/dbraw/zinc/36/30/34/411363034.db2.gz KNOKVSHNTIYEAN-UHFFFAOYSA-N 1 0 236.359 2.121 20 30 BEEDRO C=CCCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000659020350 411366420 /nfs/dbraw/zinc/36/64/20/411366420.db2.gz ZMZIBQWNKBSAMD-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000656704462 411339604 /nfs/dbraw/zinc/33/96/04/411339604.db2.gz IZMGQAXZUZVSAR-OCCSQVGLSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000656704455 411339740 /nfs/dbraw/zinc/33/97/40/411339740.db2.gz IZMGQAXZUZVSAR-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO CC1(CC[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000336675326 168020818 /nfs/dbraw/zinc/02/08/18/168020818.db2.gz AIKLMVNKOCNCAM-UHFFFAOYSA-N 1 0 221.329 2.295 20 30 BEEDRO CC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000335602567 168046569 /nfs/dbraw/zinc/04/65/69/168046569.db2.gz JBWQXAJCPGIGEJ-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)CCCc1cccnc1 ZINC000656829212 411379444 /nfs/dbraw/zinc/37/94/44/411379444.db2.gz XPYPTCWELGETAK-HIFRSBDPSA-N 1 0 248.370 2.319 20 30 BEEDRO CC1=CC[N@H+](CCNc2ncccc2C#N)CC1 ZINC000302168487 168112192 /nfs/dbraw/zinc/11/21/92/168112192.db2.gz SRAQUAZXNSBTHO-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO C=CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659918469 411381397 /nfs/dbraw/zinc/38/13/97/411381397.db2.gz WUPCYYOYROCMHY-NSHDSACASA-N 1 0 231.286 2.309 20 30 BEEDRO CC1CC[NH+](CCNc2ncccc2C#N)CC1 ZINC000040444319 168180686 /nfs/dbraw/zinc/18/06/86/168180686.db2.gz IWMPTZFEPDWEFD-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000034673827 168182290 /nfs/dbraw/zinc/18/22/90/168182290.db2.gz XROZLCZVCDXMGF-OAHLLOKOSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCC(C)(C)C)nn1 ZINC000657301199 411455911 /nfs/dbraw/zinc/45/59/11/411455911.db2.gz VOHXLKXWMAZLGZ-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000653052199 411405863 /nfs/dbraw/zinc/40/58/63/411405863.db2.gz XTZBXSUZNUYVKG-AVGNSLFASA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000653052896 411405893 /nfs/dbraw/zinc/40/58/93/411405893.db2.gz OPSOXJUJPQWEIL-OCCSQVGLSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NCCC[NH2+]CC ZINC000659505063 411422921 /nfs/dbraw/zinc/42/29/21/411422921.db2.gz GRGCYRLDXOWCQV-UHFFFAOYSA-N 1 0 241.379 2.030 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@H](C3CC3)C2)nn1 ZINC000653594445 411430393 /nfs/dbraw/zinc/43/03/93/411430393.db2.gz SSNRULBLOCJZDV-ZDUSSCGKSA-N 1 0 246.358 2.086 20 30 BEEDRO CCCC[C@H](COC)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336729044 411438125 /nfs/dbraw/zinc/43/81/25/411438125.db2.gz HKALNKKWBRLHNI-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655733670 411441956 /nfs/dbraw/zinc/44/19/56/411441956.db2.gz PHFXGWKERRWEII-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)CCC)nn1 ZINC000657285200 411442745 /nfs/dbraw/zinc/44/27/45/411442745.db2.gz YQVWZNSVGPUXTN-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCNC1=O ZINC000657276657 411447968 /nfs/dbraw/zinc/44/79/68/411447968.db2.gz OOJYFIUFAOKNAB-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)nn1 ZINC000653625677 411450332 /nfs/dbraw/zinc/45/03/32/411450332.db2.gz MPWZDGZUWAAVOD-JSGCOSHPSA-N 1 0 246.358 2.229 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@]2(C)CC=CCC2)nn1 ZINC000657489912 411532694 /nfs/dbraw/zinc/53/26/94/411532694.db2.gz BOASVSILSHOOKB-CQSZACIVSA-N 1 0 246.358 2.443 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccnn1CC1CC1 ZINC000657364190 411481283 /nfs/dbraw/zinc/48/12/83/411481283.db2.gz WBTXSTIPNBQRLT-LLVKDONJSA-N 1 0 219.332 2.347 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(C2CC2)cnn1C ZINC000657364398 411481582 /nfs/dbraw/zinc/48/15/82/411481582.db2.gz ZWFYYQNTPUKKHH-SNVBAGLBSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCc1c[nH]nn1 ZINC000659946964 411507355 /nfs/dbraw/zinc/50/73/55/411507355.db2.gz KFPMUWLEXNRCLA-UHFFFAOYSA-N 1 0 222.336 2.025 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnc2n1CCC2 ZINC000657456582 411515633 /nfs/dbraw/zinc/51/56/33/411515633.db2.gz SOGGDFVHFLBWBI-LLVKDONJSA-N 1 0 219.332 2.274 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657456615 411516443 /nfs/dbraw/zinc/51/64/43/411516443.db2.gz UQTDPKXOPYQEGR-NSHDSACASA-N 1 0 234.347 2.447 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCC[C@@H]2C)nn1 ZINC000657456784 411517601 /nfs/dbraw/zinc/51/76/01/411517601.db2.gz XBXHYIQTMSZWHJ-STQMWFEESA-N 1 0 248.374 2.380 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657483785 411528869 /nfs/dbraw/zinc/52/88/69/411528869.db2.gz CBLDEAGTRKYJLT-UHFFFAOYSA-N 1 0 247.264 2.495 20 30 BEEDRO CC[NH2+]CCNc1c(C#N)cnc2ccccc21 ZINC000054267354 170116561 /nfs/dbraw/zinc/11/65/61/170116561.db2.gz YQVHDKUHGHMTAB-UHFFFAOYSA-N 1 0 240.310 2.128 20 30 BEEDRO C=CCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000657582807 411554638 /nfs/dbraw/zinc/55/46/38/411554638.db2.gz HIVRJNYQKHNSAH-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C=CCC[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000657583755 411555149 /nfs/dbraw/zinc/55/51/49/411555149.db2.gz POUARKCALNERJR-UHFFFAOYSA-N 1 0 242.326 2.241 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnnn1C ZINC000657529752 411544610 /nfs/dbraw/zinc/54/46/10/411544610.db2.gz HPBBNASDXPJDQA-YPMHNXCESA-N 1 0 234.347 2.040 20 30 BEEDRO C=CCC1([NH2+]Cc2nccn2CC)CCOCC1 ZINC000657633360 411566907 /nfs/dbraw/zinc/56/69/07/411566907.db2.gz MRYDMTQLIQISQK-UHFFFAOYSA-N 1 0 249.358 2.118 20 30 BEEDRO C=CCC1([NH2+]CC2=CCCOC2)CCOCC1 ZINC000657633384 411566997 /nfs/dbraw/zinc/56/69/97/411566997.db2.gz NFKYHYGGEPOBLP-UHFFFAOYSA-N 1 0 237.343 2.048 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC[C@@H](C)CC)nn1 ZINC000657585413 411557250 /nfs/dbraw/zinc/55/72/50/411557250.db2.gz ADICHQQLWDPRNP-LBPRGKRZSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccs1 ZINC000657657740 411571842 /nfs/dbraw/zinc/57/18/42/411571842.db2.gz APBCBEGOYJXJLE-UHFFFAOYSA-N 1 0 211.330 2.430 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc2c1OCO2 ZINC000657658005 411571980 /nfs/dbraw/zinc/57/19/80/411571980.db2.gz HZFIPWKXQHRBGW-UHFFFAOYSA-N 1 0 249.310 2.098 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccsc1 ZINC000657658029 411572045 /nfs/dbraw/zinc/57/20/45/411572045.db2.gz JJZUHIWUWNGGRZ-UHFFFAOYSA-N 1 0 211.330 2.430 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccnn1C(C)C ZINC000657659244 411572737 /nfs/dbraw/zinc/57/27/37/411572737.db2.gz UFAMEWRCUQYHKK-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCOCCC[NH2+]Cc1nccn1C(C)C ZINC000657659305 411572761 /nfs/dbraw/zinc/57/27/61/411572761.db2.gz WAFHEYXHFLNFGA-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC)C1 ZINC000657789780 411596413 /nfs/dbraw/zinc/59/64/13/411596413.db2.gz JLSBIKFTDVDRJX-LPWJVIDDSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cnnn1CC ZINC000657806359 411600976 /nfs/dbraw/zinc/60/09/76/411600976.db2.gz MJGNRQXQGPPULS-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCC ZINC000657824266 411607640 /nfs/dbraw/zinc/60/76/40/411607640.db2.gz FNUHGJJAJUXZQH-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO CC#CC[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000660643840 411611073 /nfs/dbraw/zinc/61/10/73/411611073.db2.gz DPJWWGFZYFQIHU-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCC(=O)NC ZINC000657857253 411612762 /nfs/dbraw/zinc/61/27/62/411612762.db2.gz YOPVMLLWGGXMME-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000660722633 411618882 /nfs/dbraw/zinc/61/88/82/411618882.db2.gz LKHSTIPUBILGFV-ITGHMWBKSA-N 1 0 221.344 2.356 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661091368 411703315 /nfs/dbraw/zinc/70/33/15/411703315.db2.gz GJAIXKXZTCGIPG-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1CCCCO1)[C@@H](C)COC ZINC000661238325 411739530 /nfs/dbraw/zinc/73/95/30/411739530.db2.gz BDCLPJNJYDFBOB-UONOGXRCSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[N@@H+](CCc1cccc(C)n1)[C@H](C)COC ZINC000661238790 411739565 /nfs/dbraw/zinc/73/95/65/411739565.db2.gz FPKQWRKSRZYMJC-CQSZACIVSA-N 1 0 248.370 2.455 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1CCCCO1)[C@H](C)COC ZINC000661238324 411739720 /nfs/dbraw/zinc/73/97/20/411739720.db2.gz BDCLPJNJYDFBOB-KGLIPLIRSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1CCCO1)[C@@H](C)COC ZINC000661239271 411739754 /nfs/dbraw/zinc/73/97/54/411739754.db2.gz DNUBIVRKUJGLAB-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H](CC=C)C1 ZINC000661384719 411765010 /nfs/dbraw/zinc/76/50/10/411765010.db2.gz KMBLIABDJWWNBC-CYBMUJFWSA-N 1 0 209.333 2.477 20 30 BEEDRO COCC#CC[NH+]1CCC(c2ccco2)CC1 ZINC000661162235 411724675 /nfs/dbraw/zinc/72/46/75/411724675.db2.gz MKGMATVKIKURJB-UHFFFAOYSA-N 1 0 233.311 2.109 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)[C@H]1CCCOC1 ZINC000663701538 411725534 /nfs/dbraw/zinc/72/55/34/411725534.db2.gz JLGIFNDSABURPF-ZDUSSCGKSA-N 1 0 235.327 2.489 20 30 BEEDRO C=CC[N@H+](Cc1cc(=O)c(O)co1)C(C)(C)C ZINC000661756072 411866279 /nfs/dbraw/zinc/86/62/79/411866279.db2.gz CCWVFNMZTLVZRW-UHFFFAOYSA-N 1 0 237.299 2.132 20 30 BEEDRO C=CC[N@H+](CC(=O)NC1CCCC1)C(C)(C)C ZINC000661755320 411866707 /nfs/dbraw/zinc/86/67/07/411866707.db2.gz OGNSYFQHIUTQSI-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+](CCn1ccccc1=O)C(C)(C)C ZINC000661756236 411867320 /nfs/dbraw/zinc/86/73/20/411867320.db2.gz HAEHMRSDOIEQSS-UHFFFAOYSA-N 1 0 234.343 2.135 20 30 BEEDRO C=CCN1CCOC[C@H]1c1cccc(F)c1 ZINC000661732222 411861415 /nfs/dbraw/zinc/86/14/15/411861415.db2.gz UAFHGZFKSRTFBR-ZDUSSCGKSA-N 1 0 221.275 2.385 20 30 BEEDRO C=CCC1([NH2+]CCc2cncn2C)CCCC1 ZINC000661851164 411899574 /nfs/dbraw/zinc/89/95/74/411899574.db2.gz REVGJHOCWNOKID-UHFFFAOYSA-N 1 0 233.359 2.441 20 30 BEEDRO C=CCC1([NH2+]CCc2cnn(C)c2)CCCC1 ZINC000661848631 411901621 /nfs/dbraw/zinc/90/16/21/411901621.db2.gz LKZVKYCQKABFLR-UHFFFAOYSA-N 1 0 233.359 2.441 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](O)C(F)(F)F)CCCC1 ZINC000661852099 411903307 /nfs/dbraw/zinc/90/33/07/411903307.db2.gz JYAYTNCGNOZVSH-SECBINFHSA-N 1 0 237.265 2.388 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662021326 411943007 /nfs/dbraw/zinc/94/30/07/411943007.db2.gz OCNWKPKZMIYCMU-HNNXBMFYSA-N 1 0 228.339 2.220 20 30 BEEDRO CC#CCC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661981079 411933489 /nfs/dbraw/zinc/93/34/89/411933489.db2.gz MIQVJQMLOFDLNK-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO CC#CC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661979673 411934927 /nfs/dbraw/zinc/93/49/27/411934927.db2.gz BBLCKTNJOYIELH-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000662002535 411939275 /nfs/dbraw/zinc/93/92/75/411939275.db2.gz VOVPMBVQDBBNPD-HIFPTAJRSA-N 1 0 227.323 2.143 20 30 BEEDRO C=CC[N@@H+](CCc1cn[nH]c1)C(C)(C)C ZINC000661758196 411868915 /nfs/dbraw/zinc/86/89/15/411868915.db2.gz PFFAPGAIPGORMB-UHFFFAOYSA-N 1 0 207.321 2.239 20 30 BEEDRO C=CC[N@@H+](Cc1ccnc(OC)n1)C(C)(C)C ZINC000661758843 411871668 /nfs/dbraw/zinc/87/16/68/411871668.db2.gz WTXUHZOWTUOGMR-UHFFFAOYSA-N 1 0 235.331 2.272 20 30 BEEDRO CC[C@@H](CSC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189598306 170853507 /nfs/dbraw/zinc/85/35/07/170853507.db2.gz GJYVAFPJZVSBJJ-NSHDSACASA-N 1 0 237.372 2.128 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nnc(C)o1 ZINC000662081546 411978625 /nfs/dbraw/zinc/97/86/25/411978625.db2.gz URRZWEALSMLVQC-PHIMTYICSA-N 1 0 219.288 2.061 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCCC1=O ZINC000662078662 411978731 /nfs/dbraw/zinc/97/87/31/411978731.db2.gz FJFWGSBQPFIACR-OKILXGFUSA-N 1 0 248.370 2.182 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@H](C)CC ZINC000662081542 411979771 /nfs/dbraw/zinc/97/97/71/411979771.db2.gz UPTFRRYNFGFZPL-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)CC1CC1 ZINC000662084657 411981079 /nfs/dbraw/zinc/98/10/79/411981079.db2.gz UUPXGZRAXIGDGZ-OKILXGFUSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NCCC ZINC000662082729 411981755 /nfs/dbraw/zinc/98/17/55/411981755.db2.gz XHPAGRLWAQLECR-RWMBFGLXSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(OC)nn1 ZINC000662089808 411983102 /nfs/dbraw/zinc/98/31/02/411983102.db2.gz GBIOOCGYJZJEJE-BETUJISGSA-N 1 0 245.326 2.168 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)nc1C ZINC000662089050 411983583 /nfs/dbraw/zinc/98/35/83/411983583.db2.gz RUUHTNPXIVFSRG-OKILXGFUSA-N 1 0 231.343 2.412 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(C)cn1 ZINC000662089763 411983675 /nfs/dbraw/zinc/98/36/75/411983675.db2.gz FLWMZUZFIYXCHA-BETUJISGSA-N 1 0 217.316 2.103 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCC(F)F ZINC000662090799 411985161 /nfs/dbraw/zinc/98/51/61/411985161.db2.gz RYUKQGDMRDPAFL-PHIMTYICSA-N 1 0 231.286 2.451 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662117358 411990751 /nfs/dbraw/zinc/99/07/51/411990751.db2.gz UDAWBIBQNDKTFG-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662166855 412015613 /nfs/dbraw/zinc/01/56/13/412015613.db2.gz VOUSSLGUEKRSOC-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCCCC1(C)C ZINC000662169870 412017824 /nfs/dbraw/zinc/01/78/24/412017824.db2.gz WGXMQTTVRDAKJZ-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@H]1CCc2ccccc21 ZINC000662169713 412018179 /nfs/dbraw/zinc/01/81/79/412018179.db2.gz RGZBXQRNFPDPSL-ZIAGYGMSSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000664422141 411950890 /nfs/dbraw/zinc/95/08/90/411950890.db2.gz RAUBJDUPNDIHML-SRVKXCTJSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000664422140 411951520 /nfs/dbraw/zinc/95/15/20/411951520.db2.gz RAUBJDUPNDIHML-QNWHQSFQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCSC2(CCC2)CC1 ZINC000664884116 412037892 /nfs/dbraw/zinc/03/78/92/412037892.db2.gz XGJIHLLNDGNWAF-GFCCVEGCSA-N 1 0 241.400 2.285 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(c2ccncn2)CC1 ZINC000664791933 412021865 /nfs/dbraw/zinc/02/18/65/412021865.db2.gz YTXWYXQWFPPFBB-ZDUSSCGKSA-N 1 0 243.354 2.458 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)c(C)c2)C[C@@H]1O ZINC000336589305 171088863 /nfs/dbraw/zinc/08/88/63/171088863.db2.gz FYKANPGZWGEMJW-HIFRSBDPSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[N@H+](Cc1cccc(N)c1)[C@H](C)COC ZINC000662299208 412087419 /nfs/dbraw/zinc/08/74/19/412087419.db2.gz MDKYSOSAAADLLB-GFCCVEGCSA-N 1 0 234.343 2.292 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@](C)(C(F)F)C1 ZINC000662370697 412128436 /nfs/dbraw/zinc/12/84/36/412128436.db2.gz HBRPUAHSOSTBOZ-LLVKDONJSA-N 1 0 219.275 2.309 20 30 BEEDRO C=CC[C@@]1(C(=O)NCCCC(C)C)CCC[NH2+]1 ZINC000662481409 412189608 /nfs/dbraw/zinc/18/96/08/412189608.db2.gz DPYQGYWDPDDODK-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@]1(C(=O)NCCCC(C)C)CCC[NH2+]1 ZINC000662481410 412189647 /nfs/dbraw/zinc/18/96/47/412189647.db2.gz DPYQGYWDPDDODK-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662729504 412285148 /nfs/dbraw/zinc/28/51/48/412285148.db2.gz SEGRFSUWDZCEEB-CYBMUJFWSA-N 1 0 238.375 2.244 20 30 BEEDRO C=CC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662594371 412233474 /nfs/dbraw/zinc/23/34/74/412233474.db2.gz QDUZYMBCIQCGHT-UHFFFAOYSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288401 412233931 /nfs/dbraw/zinc/23/39/31/412233931.db2.gz MBHJRRXBKVUSOS-CHWSQXEVSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CC(C)(C)[NH3+] ZINC000662601541 412235304 /nfs/dbraw/zinc/23/53/04/412235304.db2.gz LXTJSQCFMOHDOB-NEPJUHHUSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC1([NH3+])CC1 ZINC000662612598 412242091 /nfs/dbraw/zinc/24/20/91/412242091.db2.gz VRZNUYWYRULBLR-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@](C)([NH3+])CCC)C1 ZINC000662637862 412252334 /nfs/dbraw/zinc/25/23/34/412252334.db2.gz ZLLXFVNQMJJAME-GXTWGEPZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[C@]1(C(=O)NC2CC3(CCC3)C2)CCC[NH2+]1 ZINC000662907704 412342621 /nfs/dbraw/zinc/34/26/21/412342621.db2.gz VJDYQUWXCKRXFS-OAHLLOKOSA-N 1 0 248.370 2.134 20 30 BEEDRO C=C[C@H](CC(=O)N[C@H](C)C[NH2+]C)c1ccccc1 ZINC000662968478 412359450 /nfs/dbraw/zinc/35/94/50/412359450.db2.gz IWGAMGBEZZGYGW-CHWSQXEVSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CC[C@@]1(C(=O)N[C@@H](C)CC(C)C)CCC[NH2+]1 ZINC000662794046 412305062 /nfs/dbraw/zinc/30/50/62/412305062.db2.gz WSBRHRIXFAVGGK-JSGCOSHPSA-N 1 0 238.375 2.236 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1C1CCCCC1)N(C)C ZINC000304778827 172353041 /nfs/dbraw/zinc/35/30/41/172353041.db2.gz FDDLXUWJMLDGIN-QWHCGFSZSA-N 1 0 237.391 2.434 20 30 BEEDRO C[NH+](C)C(C)(C)CNCc1ccc(C#N)cc1F ZINC000043411698 172395374 /nfs/dbraw/zinc/39/53/74/172395374.db2.gz BIIMULWOKIHJLY-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO C[NH+](C)C(C)(C)CNc1ccc(C#N)cc1F ZINC000043411878 172398038 /nfs/dbraw/zinc/39/80/38/172398038.db2.gz PLTWWNPTVJSVKQ-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO C[NH+]1CCC(CCNc2cccc(C#N)n2)CC1 ZINC000125582859 172983084 /nfs/dbraw/zinc/98/30/84/172983084.db2.gz GEWAWUQBRDNNGX-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C#N)cc3)[C@H]2C1 ZINC000272179433 173133438 /nfs/dbraw/zinc/13/34/38/173133438.db2.gz KAUOPOYFIDEQNI-HIFRSBDPSA-N 1 0 241.338 2.089 20 30 BEEDRO C[N@@H+]1CC[C@H](CNc2cccc(F)c2C#N)C1 ZINC000112799255 173146427 /nfs/dbraw/zinc/14/64/27/173146427.db2.gz UIBUSULTPGLVPD-SNVBAGLBSA-N 1 0 233.290 2.061 20 30 BEEDRO C[NH2+]C[C@@H]1CCCN1c1ccc(C#N)c(Cl)c1 ZINC000133333348 173369859 /nfs/dbraw/zinc/36/98/59/173369859.db2.gz NRTHIPCAARWDCL-LBPRGKRZSA-N 1 0 249.745 2.400 20 30 BEEDRO C[NH2+]C[C@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000063166790 173378012 /nfs/dbraw/zinc/37/80/12/173378012.db2.gz IZFMWGYMOIXGTG-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO COCC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000276894448 174072505 /nfs/dbraw/zinc/07/25/05/174072505.db2.gz GUUXMSZQOXMGRR-UHFFFAOYSA-N 1 0 232.327 2.320 20 30 BEEDRO COCC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000292312073 174077661 /nfs/dbraw/zinc/07/76/61/174077661.db2.gz NJLUVGKHZBWIJI-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO COCC1=CC[N@H+](Cc2cccc(C#N)c2)CC1 ZINC000185832211 174116868 /nfs/dbraw/zinc/11/68/68/174116868.db2.gz BKTWXPODDORFPJ-UHFFFAOYSA-N 1 0 242.322 2.337 20 30 BEEDRO COCC[N@H+](CCC#N)CC1CCCCC1 ZINC000070845946 174289203 /nfs/dbraw/zinc/28/92/03/174289203.db2.gz KDIMDAGKMBAZHT-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000336762421 174731717 /nfs/dbraw/zinc/73/17/17/174731717.db2.gz LHFWHDAUZSHKQZ-LBPRGKRZSA-N 1 0 238.356 2.380 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000340496408 174868783 /nfs/dbraw/zinc/86/87/83/174868783.db2.gz NRSYYFJGIGLMRZ-RAIGVLPGSA-N 1 0 222.332 2.083 20 30 BEEDRO COc1cc(C[NH2+]CC2CC2)ccc1C#N ZINC000234907185 174983407 /nfs/dbraw/zinc/98/34/07/174983407.db2.gz OKZUHWWLNDNZFQ-UHFFFAOYSA-N 1 0 216.284 2.066 20 30 BEEDRO COc1cc([C@H](C)[NH2+]CCCCC#N)ccn1 ZINC000340474629 175016183 /nfs/dbraw/zinc/01/61/83/175016183.db2.gz KVZMHECGJDLKJC-NSHDSACASA-N 1 0 233.315 2.435 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)cc1 ZINC000020045938 175106760 /nfs/dbraw/zinc/10/67/60/175106760.db2.gz FZJYTBCJSYBASI-UHFFFAOYSA-N 1 0 204.273 2.089 20 30 BEEDRO COc1ccc(C[NH2+]CCOC(C)C)cc1C#N ZINC000168948657 175106875 /nfs/dbraw/zinc/10/68/75/175106875.db2.gz BZGAIFIMHDVNJG-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO CSC1(C[NH2+]Cc2cc(C#N)n(C)c2)CCC1 ZINC000193647942 175451954 /nfs/dbraw/zinc/45/19/54/175451954.db2.gz WKCPZFYJWZJFRD-UHFFFAOYSA-N 1 0 249.383 2.272 20 30 BEEDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C#N)cc1 ZINC000049558735 175671363 /nfs/dbraw/zinc/67/13/63/175671363.db2.gz BOIJKUWNGLASQF-NSHDSACASA-N 1 0 217.316 2.310 20 30 BEEDRO C[C@@H]([N@H+](C)Cc1ccccc1C#N)C(C)(C)O ZINC000295138722 175791890 /nfs/dbraw/zinc/79/18/90/175791890.db2.gz KSLVNDIDVIFPHT-LLVKDONJSA-N 1 0 232.327 2.149 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000035142458 175900141 /nfs/dbraw/zinc/90/01/41/175900141.db2.gz KCONTGZLALSFPR-SNVBAGLBSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](O)CC1 ZINC000292993115 176012673 /nfs/dbraw/zinc/01/26/73/176012673.db2.gz CHEIAKZVHNNKEL-WFASDCNBSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C)(O)CC1 ZINC000187693270 176016572 /nfs/dbraw/zinc/01/65/72/176016572.db2.gz FNSMQGPIVMYVRC-LBPRGKRZSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293309777 176016877 /nfs/dbraw/zinc/01/68/77/176016877.db2.gz WZZHLWWEJYULLK-WFASDCNBSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2cc(C#N)ccn2)C1 ZINC000283533083 176097480 /nfs/dbraw/zinc/09/74/80/176097480.db2.gz LDGHHABFLDHLMK-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@@H]1CO ZINC000305162693 176099429 /nfs/dbraw/zinc/09/94/29/176099429.db2.gz GAMQNJPWUMNLGL-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000221408908 176132333 /nfs/dbraw/zinc/13/23/33/176132333.db2.gz OUIOLERHFGQCIO-BYCMXARLSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315235 176150777 /nfs/dbraw/zinc/15/07/77/176150777.db2.gz IXSUJTOOWXTBDE-ZWNOBZJWSA-N 1 0 217.316 2.175 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000292921389 176153201 /nfs/dbraw/zinc/15/32/01/176153201.db2.gz GFDCMKTVXVXNNW-DOMZBBRYSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000040718210 176170711 /nfs/dbraw/zinc/17/07/11/176170711.db2.gz JKFCNYXCNSQTOW-GFCCVEGCSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)c2)O1 ZINC000128295220 176227035 /nfs/dbraw/zinc/22/70/35/176227035.db2.gz KUKRXMCVAPOYKY-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362073218 176316511 /nfs/dbraw/zinc/31/65/11/176316511.db2.gz VGIOZFBKGVBFFA-LALPHHSUSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C3CC3)cc2F)N1 ZINC000262685832 176322631 /nfs/dbraw/zinc/32/26/31/176322631.db2.gz DIKJFTYNZFWNDA-SECBINFHSA-N 1 0 247.317 2.140 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000336278175 176340860 /nfs/dbraw/zinc/34/08/60/176340860.db2.gz NNGFQLFLTIMLNN-YGRLFVJLSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000277928266 176344561 /nfs/dbraw/zinc/34/45/61/176344561.db2.gz QIJJRVYACUIGHA-BXKDBHETSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000335621564 176353230 /nfs/dbraw/zinc/35/32/30/176353230.db2.gz NKIRHMUWLIKVEI-KCJUWKMLSA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000070357228 176378143 /nfs/dbraw/zinc/37/81/43/176378143.db2.gz ACUIPBIIAOUDIU-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304378994 176534117 /nfs/dbraw/zinc/53/41/17/176534117.db2.gz XWZIXDYBDRJCTP-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)Nc1ccnc(C#N)c1 ZINC000061812015 176665482 /nfs/dbraw/zinc/66/54/82/176665482.db2.gz KMFFVCBLXXDYPQ-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1ccncc1 ZINC000042224863 176842309 /nfs/dbraw/zinc/84/23/09/176842309.db2.gz ABJJRKOFOBBBEJ-NSHDSACASA-N 1 0 203.289 2.426 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)c1ccccn1 ZINC000181789190 176845366 /nfs/dbraw/zinc/84/53/66/176845366.db2.gz CKDBCPAEFNUDEY-NSHDSACASA-N 1 0 235.356 2.379 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124243897 177032474 /nfs/dbraw/zinc/03/24/74/177032474.db2.gz FHDZQMGADHOOAX-IUODEOHRSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336609815 177032866 /nfs/dbraw/zinc/03/28/66/177032866.db2.gz RYWJSMZZSMIVMW-BXUZGUMPSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279901165 177034899 /nfs/dbraw/zinc/03/48/99/177034899.db2.gz VECWVYIIPCUGFP-BXUZGUMPSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(CO)CC1 ZINC000187494963 177035246 /nfs/dbraw/zinc/03/52/46/177035246.db2.gz AZFGRTRMKSVSGG-GFCCVEGCSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352678122 177035267 /nfs/dbraw/zinc/03/52/67/177035267.db2.gz XHDJXESTYQFVOK-UGFHNGPFSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CO ZINC000125179359 177101114 /nfs/dbraw/zinc/10/11/14/177101114.db2.gz ZLHQTNFCCSHLGV-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000037910782 177108831 /nfs/dbraw/zinc/10/88/31/177108831.db2.gz AQITYUJVGUYWFY-FZMZJTMJSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccccc1C#N ZINC000269707316 177134749 /nfs/dbraw/zinc/13/47/49/177134749.db2.gz OGWVJLVQWOENDY-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]1CCN(Cc2cccc(C#N)c2)[C@H](C[NH3+])C1 ZINC000300094081 177166045 /nfs/dbraw/zinc/16/60/45/177166045.db2.gz UUGDNWFGBMPMLK-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000277492851 177294920 /nfs/dbraw/zinc/29/49/20/177294920.db2.gz OVUCTCHYHJBIDY-HZMBPMFUSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000271504379 177324469 /nfs/dbraw/zinc/32/44/69/177324469.db2.gz OJWRBPJXEXNWOD-QWRGUYRKSA-N 1 0 234.299 2.056 20 30 BEEDRO C[C@H]1C[C@H](C[NH+]2CCC(F)(C#N)CC2)CCO1 ZINC000352485572 177362706 /nfs/dbraw/zinc/36/27/06/177362706.db2.gz ZWGLSMUGOYVXRJ-NWDGAFQWSA-N 1 0 240.322 2.129 20 30 BEEDRO C[C@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1F ZINC000229600768 177396380 /nfs/dbraw/zinc/39/63/80/177396380.db2.gz DLWGMJGDBHSZBS-BXKDBHETSA-N 1 0 233.290 2.250 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@@H]1C ZINC000487984324 225336141 /nfs/dbraw/zinc/33/61/41/225336141.db2.gz BAFFNQLQFVDNAC-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@H](C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000400103030 226332557 /nfs/dbraw/zinc/33/25/57/226332557.db2.gz BGRURTWZQPRKGE-GFCCVEGCSA-N 1 0 222.332 2.037 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503949667 226337010 /nfs/dbraw/zinc/33/70/10/226337010.db2.gz SDRWNHDHWSERSB-UKKRHICBSA-N 1 0 244.285 2.429 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)CC#CC ZINC000895096596 583587704 /nfs/dbraw/zinc/58/77/04/583587704.db2.gz NVDUBBSVCDLRLF-ZIAGYGMSSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000680882618 487663977 /nfs/dbraw/zinc/66/39/77/487663977.db2.gz KROVGAOJIDYFCA-AWEZNQCLSA-N 1 0 243.354 2.378 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCOC1 ZINC000403992756 229358518 /nfs/dbraw/zinc/35/85/18/229358518.db2.gz JVBAJSYUDYZCIL-AWEZNQCLSA-N 1 0 248.301 2.214 20 30 BEEDRO Cc1ccc(CNC(N)=[NH2+])c(OCCC(C)C)c1 ZINC000304937975 229358739 /nfs/dbraw/zinc/35/87/39/229358739.db2.gz KXRCPFVCFFVXBQ-UHFFFAOYSA-N 1 0 249.358 2.193 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CCOCC2)cc1F ZINC000404113860 229373586 /nfs/dbraw/zinc/37/35/86/229373586.db2.gz KOLLNIBSPXWRJP-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)CCCC[NH+](C)C ZINC000681000479 487690871 /nfs/dbraw/zinc/69/08/71/487690871.db2.gz OZZDALIKQYNYTK-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000681002396 487692302 /nfs/dbraw/zinc/69/23/02/487692302.db2.gz ARYDOWFOUSUTAX-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000308900314 487692927 /nfs/dbraw/zinc/69/29/27/487692927.db2.gz BEPZYWSQXWCFHW-IJLUTSLNSA-N 1 0 228.767 2.201 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000671698315 487694006 /nfs/dbraw/zinc/69/40/06/487694006.db2.gz CGUKGXGVGCOEFS-ZDUSSCGKSA-N 1 0 233.311 2.306 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC=C(c2ccco2)C1 ZINC000671698314 487694213 /nfs/dbraw/zinc/69/42/13/487694213.db2.gz CGUKGXGVGCOEFS-CYBMUJFWSA-N 1 0 233.311 2.306 20 30 BEEDRO CCC#C[C@@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000671699943 487696630 /nfs/dbraw/zinc/69/66/30/487696630.db2.gz WQUIDPHFMBOJTE-CYBMUJFWSA-N 1 0 243.354 2.311 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000526941272 262798273 /nfs/dbraw/zinc/79/82/73/262798273.db2.gz WUKTUSAUHGHEOL-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccnc(C)c1 ZINC000527704477 262874448 /nfs/dbraw/zinc/87/44/48/262874448.db2.gz WCRHDSCRCBCETN-GJZGRUSLSA-N 1 0 246.354 2.461 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000527739921 262881631 /nfs/dbraw/zinc/88/16/31/262881631.db2.gz QFQALOOSJPJZAF-CYBMUJFWSA-N 1 0 244.338 2.465 20 30 BEEDRO CCC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)OCC ZINC000527933691 262896347 /nfs/dbraw/zinc/89/63/47/262896347.db2.gz RUCNVCIHBZJMKQ-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000527984225 262898463 /nfs/dbraw/zinc/89/84/63/262898463.db2.gz ZMVJQNCLOVQXCG-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C(C)(C)CC ZINC000900759455 584346184 /nfs/dbraw/zinc/34/61/84/584346184.db2.gz XKBBNEHTHGREMM-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO CCC#C[C@@H](C)N1CCOc2cc(O)ccc2C1 ZINC000671725567 487707107 /nfs/dbraw/zinc/70/71/07/487707107.db2.gz ZBWBVZMEIRJLDF-GFCCVEGCSA-N 1 0 245.322 2.389 20 30 BEEDRO CCC[NH+]1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000061812048 264840774 /nfs/dbraw/zinc/84/07/74/264840774.db2.gz LRKAMOFOUQEQOV-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO COC(=O)[C@H]1CCC[C@@H]([NH2+]CC(C)(C)S)C1 ZINC001172606120 974883485 /nfs/dbraw/zinc/88/34/85/974883485.db2.gz QDAATSFAIAHJEW-VHSXEESVSA-N 1 0 245.388 2.016 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)c(F)c1)OC ZINC000404169159 266396802 /nfs/dbraw/zinc/39/68/02/266396802.db2.gz VBRSJFKPYAPGLH-GFCCVEGCSA-N 1 0 236.290 2.212 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)O1 ZINC000404152777 267025869 /nfs/dbraw/zinc/02/58/69/267025869.db2.gz SXCZBSDDQLOOBI-MFKMUULPSA-N 1 0 248.301 2.354 20 30 BEEDRO 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C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000653749556 487800145 /nfs/dbraw/zinc/80/01/45/487800145.db2.gz KJDYHIBCLJGKLV-DZGCQCFKSA-N 1 0 246.354 2.116 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](C)CCOC(C)(C)C ZINC000676043169 487803690 /nfs/dbraw/zinc/80/36/90/487803690.db2.gz VEHOOVXICWUYBR-GFCCVEGCSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nncn2CC)C1 ZINC000651679235 487816279 /nfs/dbraw/zinc/81/62/79/487816279.db2.gz UNYYRKGDZLBNCQ-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000831527666 587616518 /nfs/dbraw/zinc/61/65/18/587616518.db2.gz GQYQGVBRCVRVGL-WPRPVWTQSA-N 1 0 203.713 2.096 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(CC)CC ZINC000876576640 590217537 /nfs/dbraw/zinc/21/75/37/590217537.db2.gz ORUQZHUVGBATNL-JTQLQIEISA-N 1 0 232.755 2.009 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000339015483 487848527 /nfs/dbraw/zinc/84/85/27/487848527.db2.gz RPPYAUDJSZPIRO-CQSZACIVSA-N 1 0 241.375 2.326 20 30 BEEDRO N#CCSCCCSCC1CC[NH2+]CC1 ZINC000564927080 322961846 /nfs/dbraw/zinc/96/18/46/322961846.db2.gz PHUMWWXRDUAVEB-UHFFFAOYSA-N 1 0 244.429 2.366 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000682042127 487889512 /nfs/dbraw/zinc/88/95/12/487889512.db2.gz OQVBDEOQFVUOEV-STQMWFEESA-N 1 0 211.349 2.291 20 30 BEEDRO CSC[C@@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000164621887 487890422 /nfs/dbraw/zinc/89/04/22/487890422.db2.gz SCQMGOMNWXOTIJ-LBPRGKRZSA-N 1 0 244.404 2.020 20 30 BEEDRO C=CCCn1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000653488240 487914522 /nfs/dbraw/zinc/91/45/22/487914522.db2.gz JGIHTEUZLCXRJS-STQMWFEESA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCC1([NH2+]CC[C@H]2CCOC2)CCOCC1 ZINC000668551104 487921077 /nfs/dbraw/zinc/92/10/77/487921077.db2.gz HTMDEHFOWQNYIO-ZDUSSCGKSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CCCOCC2)CCOCC1 ZINC000668551309 487922112 /nfs/dbraw/zinc/92/21/12/487922112.db2.gz JVJSRYZUIFOTMD-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2C[C@H]2C)CCOCC1 ZINC000668551710 487921710 /nfs/dbraw/zinc/92/17/10/487921710.db2.gz UVGGNRIZOGTUKO-VXGBXAGGSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCCn1cc(C[N@H+](CC)CC(C)C)nn1 ZINC000653493235 487926466 /nfs/dbraw/zinc/92/64/66/487926466.db2.gz ORAMCAMBCPEVAD-UHFFFAOYSA-N 1 0 236.363 2.332 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000682220376 487928015 /nfs/dbraw/zinc/92/80/15/487928015.db2.gz DHQHBXZWAULINQ-AGIUHOORSA-N 1 0 209.333 2.145 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)CCCC[NH+](C)C ZINC000682360578 487937922 /nfs/dbraw/zinc/93/79/22/487937922.db2.gz HXRKYEPERVQRKV-CQSZACIVSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc(OC)s1 ZINC000385546465 487942414 /nfs/dbraw/zinc/94/24/14/487942414.db2.gz WGSRIUBGESVZJU-UHFFFAOYSA-N 1 0 226.345 2.454 20 30 BEEDRO C=CCOCC[NH+]1CCc2ccccc2CC1 ZINC000569384526 322965098 /nfs/dbraw/zinc/96/50/98/322965098.db2.gz HVFCMZBSLKRSCW-UHFFFAOYSA-N 1 0 231.339 2.290 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000562478140 323021551 /nfs/dbraw/zinc/02/15/51/323021551.db2.gz BIIHBLBPMNZEAH-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000562523401 323022421 /nfs/dbraw/zinc/02/24/21/323022421.db2.gz QATNAHAIMFPPNY-GUTXKFCHSA-N 1 0 244.338 2.310 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248520842 323023940 /nfs/dbraw/zinc/02/39/40/323023940.db2.gz REOIFGMBNYLBSG-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000562661693 323026655 /nfs/dbraw/zinc/02/66/55/323026655.db2.gz FLGPMTZCNQPKBO-ITGHMWBKSA-N 1 0 239.359 2.266 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000289352280 323036137 /nfs/dbraw/zinc/03/61/37/323036137.db2.gz JHKZVADDFDGRLH-GFCCVEGCSA-N 1 0 203.285 2.140 20 30 BEEDRO CCC[C@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000569840685 323042344 /nfs/dbraw/zinc/04/23/44/323042344.db2.gz JCWYWUHQHMEONO-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000569974403 323046353 /nfs/dbraw/zinc/04/63/53/323046353.db2.gz VRJBHVBVCUNGAM-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC[N@@H+](CCC)CC(=O)N(C)C ZINC000570363482 323057550 /nfs/dbraw/zinc/05/75/50/323057550.db2.gz YSFRWPWIQRTAFN-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000567684211 323059618 /nfs/dbraw/zinc/05/96/18/323059618.db2.gz DVBNBTCFRFBCKV-IJLUTSLNSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CCC[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000570525347 323061983 /nfs/dbraw/zinc/06/19/83/323061983.db2.gz LVOWHBVFVYHGRY-CYBMUJFWSA-N 1 0 233.359 2.422 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](Cc1ncc(C#N)cn1)C1CC1 ZINC000570667413 323066512 /nfs/dbraw/zinc/06/65/12/323066512.db2.gz MWOYNYABZCMRSQ-JTQLQIEISA-N 1 0 242.326 2.111 20 30 BEEDRO C#CCN(CC#CC)C[C@H](C)C(F)(F)F ZINC000490839111 323075587 /nfs/dbraw/zinc/07/55/87/323075587.db2.gz GISVMZBGWIFAPT-JTQLQIEISA-N 1 0 217.234 2.143 20 30 BEEDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNCCC#N ZINC000562997201 323078759 /nfs/dbraw/zinc/07/87/59/323078759.db2.gz QVQIDPQHIYHKQI-CYBMUJFWSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCCC(C)(C)C1 ZINC000446057944 323087298 /nfs/dbraw/zinc/08/72/98/323087298.db2.gz CJYQRWSBEUIVPS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)C1CCOCC1 ZINC000403989027 323092581 /nfs/dbraw/zinc/09/25/81/323092581.db2.gz DBUIGPPOWLASQJ-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCC[NH+]1CCC(CCC(=O)OC)CC1 ZINC000531479600 323098405 /nfs/dbraw/zinc/09/84/05/323098405.db2.gz LFQOKXFTQSHQSS-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccccn1 ZINC000320264363 323104666 /nfs/dbraw/zinc/10/46/66/323104666.db2.gz KFIUFIHYWOXUHM-RYUDHWBXSA-N 1 0 220.316 2.059 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000563367937 323121603 /nfs/dbraw/zinc/12/16/03/323121603.db2.gz XYBHXBXNVKKGGO-HUUCEWRRSA-N 1 0 246.354 2.262 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000563383185 323122038 /nfs/dbraw/zinc/12/20/38/323122038.db2.gz KQZHSMNLYYFTSA-LLVKDONJSA-N 1 0 235.331 2.013 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1ccccc1C#N ZINC000563547775 323129697 /nfs/dbraw/zinc/12/96/97/323129697.db2.gz ZUOFDGQTKWJPRY-CYBMUJFWSA-N 1 0 243.310 2.219 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOc1ccccc1C#N ZINC000563547776 323129849 /nfs/dbraw/zinc/12/98/49/323129849.db2.gz ZUOFDGQTKWJPRY-ZDUSSCGKSA-N 1 0 243.310 2.219 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000571276319 323140122 /nfs/dbraw/zinc/14/01/22/323140122.db2.gz CGJUAYQQGZKSJS-RVMXOQNASA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000305203264 323168092 /nfs/dbraw/zinc/16/80/92/323168092.db2.gz WWKXYIHSMJOREJ-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccc(C#N)n2)C1 ZINC000112734094 323171904 /nfs/dbraw/zinc/17/19/04/323171904.db2.gz ANGCLYMQEHFVPY-LBPRGKRZSA-N 1 0 244.342 2.095 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC1(C#N)CCC1 ZINC000563719411 323175515 /nfs/dbraw/zinc/17/55/15/323175515.db2.gz ZPFKKVWBAOWHQA-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(F)CC1 ZINC000308817924 323178957 /nfs/dbraw/zinc/17/89/57/323178957.db2.gz BDSFOPWFKKZBOB-GHMZBOCLSA-N 1 0 213.296 2.059 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000398952595 323195472 /nfs/dbraw/zinc/19/54/72/323195472.db2.gz FGLIKPWVVDKAAV-AWEZNQCLSA-N 1 0 244.338 2.267 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccccc1N1CCCC1 ZINC000052917106 323195843 /nfs/dbraw/zinc/19/58/43/323195843.db2.gz FRGZLOIYYQFTFQ-UHFFFAOYSA-N 1 0 228.339 2.352 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399123706 323197303 /nfs/dbraw/zinc/19/73/03/323197303.db2.gz IXMICQRLLCNDFN-DOMZBBRYSA-N 1 0 244.338 2.267 20 30 BEEDRO C=CCCCC(=O)Nc1cc(C)ncc1C ZINC000536575267 323198094 /nfs/dbraw/zinc/19/80/94/323198094.db2.gz SCGQYEHFPIEGRX-UHFFFAOYSA-N 1 0 218.300 2.415 20 30 BEEDRO CCC#C[C@@H](C)N(C)Cc1cc(C)on1 ZINC000677047802 487957527 /nfs/dbraw/zinc/95/75/27/487957527.db2.gz HWPNSIAXUUDBKU-SNVBAGLBSA-N 1 0 206.289 2.217 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)COc1ccccc1C ZINC000395471958 323226711 /nfs/dbraw/zinc/22/67/11/323226711.db2.gz INDDZZXGIXOKKV-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000324384517 323230594 /nfs/dbraw/zinc/23/05/94/323230594.db2.gz XKWQTLNWYLSLEK-AWEZNQCLSA-N 1 0 231.339 2.035 20 30 BEEDRO C=CCCCCC[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361565060 323355794 /nfs/dbraw/zinc/35/57/94/323355794.db2.gz OPGPFBLPOVKXBC-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N1CCCC[C@@H]1CC ZINC000121376284 324010243 /nfs/dbraw/zinc/01/02/43/324010243.db2.gz RTRPZKUBZKTDJP-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[N@@H+](C)Cc1c(C)nc2ccccn21 ZINC000121561912 324017050 /nfs/dbraw/zinc/01/70/50/324017050.db2.gz PZRIWULFHGVANN-UHFFFAOYSA-N 1 0 215.300 2.261 20 30 BEEDRO CC(C)CCOCC[NH+]1CCC(C#N)CC1 ZINC000061040317 324055638 /nfs/dbraw/zinc/05/56/38/324055638.db2.gz SJYSAYNVVQCGNS-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000123183796 324094374 /nfs/dbraw/zinc/09/43/74/324094374.db2.gz SQBIBRHUTBIQDR-VIFPVBQESA-N 1 0 236.271 2.268 20 30 BEEDRO N#C[C@@H]1CC[C@H](Nc2cc(NC3CC3)ncn2)C1 ZINC000572477299 324120889 /nfs/dbraw/zinc/12/08/89/324120889.db2.gz GFCARIXQDQOUFS-KOLCDFICSA-N 1 0 243.314 2.155 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000682436668 487962471 /nfs/dbraw/zinc/96/24/71/487962471.db2.gz TWWONTPSTVRYFM-UHFFFAOYSA-N 1 0 233.290 2.481 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000398105711 324218269 /nfs/dbraw/zinc/21/82/69/324218269.db2.gz VMVFDJFARBBJTO-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])Nc1ccccc1 ZINC000233356896 324209863 /nfs/dbraw/zinc/20/98/63/324209863.db2.gz UHSSCHWBMDOVGI-LLVKDONJSA-N 1 0 215.300 2.425 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529594544 324357108 /nfs/dbraw/zinc/35/71/08/324357108.db2.gz KJDRJYSGPQWPCB-GDPRMGEGSA-N 1 0 231.286 2.353 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccncc1 ZINC000125753960 324652348 /nfs/dbraw/zinc/65/23/48/324652348.db2.gz VKXUHAQNRDAULP-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(COC)o1 ZINC000129528136 324956987 /nfs/dbraw/zinc/95/69/87/324956987.db2.gz DLMMFTLGDCUBFI-UHFFFAOYSA-N 1 0 239.315 2.108 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)cc1OC ZINC000130474430 325056748 /nfs/dbraw/zinc/05/67/48/325056748.db2.gz JUPKEZCJALNMPL-SNVBAGLBSA-N 1 0 221.300 2.368 20 30 BEEDRO CCn1nccc1C[NH+]1CCC(CC#N)CC1 ZINC000542853281 325057889 /nfs/dbraw/zinc/05/78/89/325057889.db2.gz FSIUDBQHDVYMGR-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO C=CC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000130702502 325081339 /nfs/dbraw/zinc/08/13/39/325081339.db2.gz UOQGCROILUTTFX-UHFFFAOYSA-N 1 0 236.281 2.179 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000543494776 325091543 /nfs/dbraw/zinc/09/15/43/325091543.db2.gz QSVDYNLUJNQVAY-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C#CC[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC000073388095 325198501 /nfs/dbraw/zinc/19/85/01/325198501.db2.gz CXFPSFRHQNTCBD-UHFFFAOYSA-N 1 0 215.296 2.205 20 30 BEEDRO CC[N@H+](CCCSCC#N)C[C@@H]1CCCO1 ZINC000074989729 325273607 /nfs/dbraw/zinc/27/36/07/325273607.db2.gz JGBCRFZAHPHGTO-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO C[N@H+](CCCCC#N)[C@@H](CO)C(C)(C)C ZINC000134401678 325357317 /nfs/dbraw/zinc/35/73/17/325357317.db2.gz YILJXWUDDCWEIU-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[NH+](CC)CC ZINC000134904642 325382225 /nfs/dbraw/zinc/38/22/25/325382225.db2.gz OKORTLUNUPHGPK-CYBMUJFWSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000134964675 325384836 /nfs/dbraw/zinc/38/48/36/325384836.db2.gz SIZJHCXRNWHQQY-OCCSQVGLSA-N 1 0 238.375 2.045 20 30 BEEDRO CC#CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000547842936 325407969 /nfs/dbraw/zinc/40/79/69/325407969.db2.gz APGZLZLQSSNYAM-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO CSC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000135493090 325415153 /nfs/dbraw/zinc/41/51/53/325415153.db2.gz GNKJSLZOPRERGQ-QMMMGPOBSA-N 1 0 226.370 2.461 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](C#N)C2)cnn1C ZINC000248887185 325625780 /nfs/dbraw/zinc/62/57/80/325625780.db2.gz MMAMCVNGSCIKLX-CYZMBNFOSA-N 1 0 246.358 2.462 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@H](C)CC)nn1 ZINC000653577968 487969113 /nfs/dbraw/zinc/96/91/13/487969113.db2.gz OOIPUXJFMLKAFJ-LLVKDONJSA-N 1 0 222.336 2.085 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000090919485 325681535 /nfs/dbraw/zinc/68/15/35/325681535.db2.gz AXTWBUBGSUNAAJ-NSHDSACASA-N 1 0 233.311 2.378 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCCO ZINC000684773711 487969550 /nfs/dbraw/zinc/96/95/50/487969550.db2.gz FCUPGQMMAGCUDF-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO COCC1([NH2+][C@@H]2CCc3ccc(C#N)cc32)CC1 ZINC000564433164 325792410 /nfs/dbraw/zinc/79/24/10/325792410.db2.gz JCVCAMCPPVCGRH-CQSZACIVSA-N 1 0 242.322 2.314 20 30 BEEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC#N)CCO1 ZINC000564851724 325817225 /nfs/dbraw/zinc/81/72/25/325817225.db2.gz QHQFJONMIFWZKJ-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCCN1CCC1 ZINC000565903615 325972747 /nfs/dbraw/zinc/97/27/47/325972747.db2.gz IZDSYSVLHBIEJT-UHFFFAOYSA-N 1 0 223.364 2.002 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000565906125 325973359 /nfs/dbraw/zinc/97/33/59/325973359.db2.gz XPPGOPNONCJMCJ-KGLIPLIRSA-N 1 0 240.391 2.089 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1CC#Cc1ccccc1 ZINC000566139183 326002680 /nfs/dbraw/zinc/00/26/80/326002680.db2.gz IAWQFJJZMHMIPN-MRXNPFEDSA-N 1 0 242.366 2.064 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCCC[C@H]1O ZINC000566302236 326031206 /nfs/dbraw/zinc/03/12/06/326031206.db2.gz TZLKYIXBPXQTNY-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[NH3+])CCCC ZINC000566403917 326039543 /nfs/dbraw/zinc/03/95/43/326039543.db2.gz OTCPQOCULGZTND-VXGBXAGGSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C[NH3+])CCCC ZINC000566403915 326039751 /nfs/dbraw/zinc/03/97/51/326039751.db2.gz OTCPQOCULGZTND-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)[C@H](C)O ZINC000567688399 326245556 /nfs/dbraw/zinc/24/55/56/326245556.db2.gz PLBSJQMIPIPFEE-MBNYWOFBSA-N 1 0 232.327 2.390 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000567701752 326248322 /nfs/dbraw/zinc/24/83/22/326248322.db2.gz JVVVIZJWAMFQJV-OCCSQVGLSA-N 1 0 244.338 2.044 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000157191208 326260020 /nfs/dbraw/zinc/26/00/20/326260020.db2.gz YPPRLHSOZSBOJP-LBPRGKRZSA-N 1 0 225.295 2.156 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000568148027 326312855 /nfs/dbraw/zinc/31/28/55/326312855.db2.gz GOYNIACOQLJJRT-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCCC(=O)NCCC ZINC000568163283 326317168 /nfs/dbraw/zinc/31/71/68/326317168.db2.gz UATAQOPPUAJFBG-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CNCC[C@H]1C ZINC000568248723 326334575 /nfs/dbraw/zinc/33/45/75/326334575.db2.gz YRSLAEGGJHWARO-CHWSQXEVSA-N 1 0 210.365 2.320 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(CC)c1 ZINC000568278262 326340525 /nfs/dbraw/zinc/34/05/25/326340525.db2.gz GMNPLGYLSYNTEM-AWEZNQCLSA-N 1 0 219.328 2.276 20 30 BEEDRO N#CCC[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000568382720 326351926 /nfs/dbraw/zinc/35/19/26/326351926.db2.gz JEJJJCMSBBTEAY-ZDUSSCGKSA-N 1 0 229.327 2.307 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)CCOC(C)C ZINC000568382750 326351951 /nfs/dbraw/zinc/35/19/51/326351951.db2.gz KOXLUXOBYBZGNL-CYBMUJFWSA-N 1 0 243.391 2.354 20 30 BEEDRO CC#CC[N@H+](C)CCCN(C)c1ccccc1 ZINC000568744618 326374355 /nfs/dbraw/zinc/37/43/55/326374355.db2.gz KIJBYKZGHMOOEN-UHFFFAOYSA-N 1 0 230.355 2.468 20 30 BEEDRO C=C[C@@H](CC(=O)NCCCC[NH3+])c1ccccc1 ZINC000568869282 326380425 /nfs/dbraw/zinc/38/04/25/326380425.db2.gz UYATYDVYXCPQSP-ZDUSSCGKSA-N 1 0 246.354 2.201 20 30 BEEDRO C[C@@H]([N@H+](C)Cc1ccc(C#N)s1)C(C)(C)O ZINC000569255658 326398066 /nfs/dbraw/zinc/39/80/66/326398066.db2.gz CGPBJYDMSCWZFP-SECBINFHSA-N 1 0 238.356 2.211 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000165107711 326419266 /nfs/dbraw/zinc/41/92/66/326419266.db2.gz AZJOWYHQQGINLE-UHFFFAOYSA-N 1 0 218.256 2.098 20 30 BEEDRO COc1ccc(C[C@H](C)C[NH2+]CCC#N)cc1 ZINC000573083680 326428568 /nfs/dbraw/zinc/42/85/68/326428568.db2.gz BHQQDXGGOTYNJF-LBPRGKRZSA-N 1 0 232.327 2.377 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000677133266 487980331 /nfs/dbraw/zinc/98/03/31/487980331.db2.gz PJPSXDJXQVYXLY-OLZOCXBDSA-N 1 0 231.343 2.391 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000677133267 487980401 /nfs/dbraw/zinc/98/04/01/487980401.db2.gz PJPSXDJXQVYXLY-QWHCGFSZSA-N 1 0 231.343 2.391 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)OC)C1CCCCC1 ZINC000490933724 488026794 /nfs/dbraw/zinc/02/67/94/488026794.db2.gz GKRIYHGCFULSSK-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@H]1CCO[C@@H](CC)C1 ZINC000490933620 488026980 /nfs/dbraw/zinc/02/69/80/488026980.db2.gz FGRRSMKZGQAZPC-GJZGRUSLSA-N 1 0 233.355 2.150 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1N(C)C ZINC000677406940 488030487 /nfs/dbraw/zinc/03/04/87/488030487.db2.gz LBWGLQWUHHCSID-OAHLLOKOSA-N 1 0 248.370 2.121 20 30 BEEDRO C=CCCOCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000677425890 488033433 /nfs/dbraw/zinc/03/34/33/488033433.db2.gz PIXSKHZZFODRPG-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](CC(C)C)OC ZINC000491526281 488034417 /nfs/dbraw/zinc/03/44/17/488034417.db2.gz YVEUMGWGNVJMEE-LBPRGKRZSA-N 1 0 211.349 2.391 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccccc1OCC ZINC000677477545 488047143 /nfs/dbraw/zinc/04/71/43/488047143.db2.gz KYIHTBXZSANDDX-AWEZNQCLSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCCc1ccccc1NC(=O)NC[C@@H](C)[NH3+] ZINC000667566514 488048779 /nfs/dbraw/zinc/04/87/79/488048779.db2.gz QSIICRXDHLMJJW-LLVKDONJSA-N 1 0 247.342 2.274 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000677480517 488050005 /nfs/dbraw/zinc/05/00/05/488050005.db2.gz YQTSEIDEEQFBRD-ZDUSSCGKSA-N 1 0 231.343 2.322 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(C)n2C)CC1 ZINC000667624160 488061169 /nfs/dbraw/zinc/06/11/69/488061169.db2.gz OZYYKOBUTRMERX-UHFFFAOYSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[N@@H+](C)CCC ZINC000620858276 488069376 /nfs/dbraw/zinc/06/93/76/488069376.db2.gz CCPQTYFKSHFZCD-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC(CC=C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236653740 488081126 /nfs/dbraw/zinc/08/11/26/488081126.db2.gz QASDRUMJWOSABG-ZDUSSCGKSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccn(CC)c1 ZINC000683031677 488102246 /nfs/dbraw/zinc/10/22/46/488102246.db2.gz YNLOQFRYPKVULY-AWEZNQCLSA-N 1 0 236.359 2.267 20 30 BEEDRO C=CC[N@@H+](CCOC)[C@@H](C)c1ccncc1 ZINC000683041521 488103121 /nfs/dbraw/zinc/10/31/21/488103121.db2.gz ZRMKWJGTWUFWPN-LBPRGKRZSA-N 1 0 220.316 2.277 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc(F)cc1C ZINC000683097040 488107576 /nfs/dbraw/zinc/10/75/76/488107576.db2.gz FSJCCAGDZLJIOA-UHFFFAOYSA-N 1 0 235.302 2.216 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378886955 488109758 /nfs/dbraw/zinc/10/97/58/488109758.db2.gz MHVLCMZGNGZNIJ-AGIUHOORSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000677801742 488124818 /nfs/dbraw/zinc/12/48/18/488124818.db2.gz BGJOZTOMVFPZCB-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1 ZINC000668696182 488126002 /nfs/dbraw/zinc/12/60/02/488126002.db2.gz NAUWBVSERYZUSJ-GFCCVEGCSA-N 1 0 247.338 2.254 20 30 BEEDRO COCC#CC[N@H+](C)CCCc1ccccc1 ZINC000677817282 488131663 /nfs/dbraw/zinc/13/16/63/488131663.db2.gz MYFBNAFCCUJNOP-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 BEEDRO COCC#CC[NH2+][C@@]1(C)CCCc2ccccc21 ZINC000677818672 488132931 /nfs/dbraw/zinc/13/29/31/488132931.db2.gz FPGSNAZWLGCGKU-INIZCTEOSA-N 1 0 243.350 2.478 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000677818452 488133082 /nfs/dbraw/zinc/13/30/82/488133082.db2.gz OHYLYDKBDNNUHX-OAHLLOKOSA-N 1 0 243.350 2.434 20 30 BEEDRO C=C1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000336518330 487552209 /nfs/dbraw/zinc/55/22/09/487552209.db2.gz PVUROBFBGHIFAS-UHFFFAOYSA-N 1 0 242.326 2.120 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1CCC[C@@H](C(=O)OC)CC1 ZINC001172765674 974931785 /nfs/dbraw/zinc/93/17/85/974931785.db2.gz IWYYYRVOLQNTIT-NEPJUHHUSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC)C1 ZINC000661378484 487555327 /nfs/dbraw/zinc/55/53/27/487555327.db2.gz HIUJIBLTOUTVOD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCCC)C1 ZINC000661378485 487555466 /nfs/dbraw/zinc/55/54/66/487555466.db2.gz HIUJIBLTOUTVOD-STQMWFEESA-N 1 0 238.375 2.189 20 30 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C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)O ZINC000657880338 488161503 /nfs/dbraw/zinc/16/15/03/488161503.db2.gz ADBOIENVQDQIMG-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCOCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000374820414 488167243 /nfs/dbraw/zinc/16/72/43/488167243.db2.gz PRTDOGWOXPYIMA-ZDUSSCGKSA-N 1 0 247.338 2.345 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000380238200 488181254 /nfs/dbraw/zinc/18/12/54/488181254.db2.gz MUHXXGKOUWFJQI-UPJWGTAASA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCCCCC[N@@H+](CC)CC(=O)N(C)C ZINC000683779845 488219995 /nfs/dbraw/zinc/21/99/95/488219995.db2.gz WTXRWPDDUHCEHJ-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCCc1cnn(C)c1 ZINC000683793189 488223851 /nfs/dbraw/zinc/22/38/51/488223851.db2.gz STTGRRSIHYDQHN-AWEZNQCLSA-N 1 0 233.359 2.393 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930358 488246826 /nfs/dbraw/zinc/24/68/26/488246826.db2.gz JUYSFNCEYVLBKY-LBPRGKRZSA-N 1 0 230.311 2.195 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1nncn1CC ZINC000678590371 488268846 /nfs/dbraw/zinc/26/88/46/488268846.db2.gz VBANMXWQRKRDML-RYUDHWBXSA-N 1 0 236.363 2.031 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1nncn1CC)C1CC1 ZINC000678586817 488269037 /nfs/dbraw/zinc/26/90/37/488269037.db2.gz FIBLKOYUSPGMCF-ZDUSSCGKSA-N 1 0 248.374 2.175 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000684207675 488276467 /nfs/dbraw/zinc/27/64/67/488276467.db2.gz BLDWWYBLVNSHEB-OUCADQQQSA-N 1 0 221.344 2.288 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000678716687 488277809 /nfs/dbraw/zinc/27/78/09/488277809.db2.gz XVABXPJLPTZPFI-DGCLKSJQSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1 ZINC000678735832 488279653 /nfs/dbraw/zinc/27/96/53/488279653.db2.gz BQXCZKSOYOZLOW-SMDDNHRTSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CCNC(=O)C[NH2+]Cc1ccc(CCC)cc1 ZINC000679027810 488303941 /nfs/dbraw/zinc/30/39/41/488303941.db2.gz OCQQNGKQGJFDOE-UHFFFAOYSA-N 1 0 246.354 2.031 20 30 BEEDRO CC#CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000673713210 488304828 /nfs/dbraw/zinc/30/48/28/488304828.db2.gz LAASINAYGKTTDC-OAHLLOKOSA-N 1 0 239.322 2.237 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000684773926 488341525 /nfs/dbraw/zinc/34/15/25/488341525.db2.gz LUGIYYFTPRRRDF-SUHUHFCYSA-N 1 0 249.358 2.350 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccccc1-n1cncn1 ZINC000679359138 488345083 /nfs/dbraw/zinc/34/50/83/488345083.db2.gz KRBXRWMKTHBAIJ-UHFFFAOYSA-N 1 0 242.326 2.275 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000679542117 488357493 /nfs/dbraw/zinc/35/74/93/488357493.db2.gz NKNWCKFKFKRKEY-QWRGUYRKSA-N 1 0 249.276 2.299 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ncn(C)n2)C1 ZINC000651779014 490138627 /nfs/dbraw/zinc/13/86/27/490138627.db2.gz RIUWSFJDMGNXEZ-TUAOUCFPSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ncn(C)n2)C1 ZINC000651779015 490138576 /nfs/dbraw/zinc/13/85/76/490138576.db2.gz 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JLSLYSKSBNMYCP-VXGBXAGGSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C[C@@H](CO)Nc1cc(C)[nH+]c2ccc(F)cc12 ZINC000357602616 534517297 /nfs/dbraw/zinc/51/72/97/534517297.db2.gz GUYOSKGKNGYNOL-NSHDSACASA-N 1 0 246.285 2.063 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000264085754 534520077 /nfs/dbraw/zinc/52/00/77/534520077.db2.gz JQSLZOPHSZAKAX-NSHDSACASA-N 1 0 211.353 2.292 20 30 BEEDRO C=CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000104152855 534520604 /nfs/dbraw/zinc/52/06/04/534520604.db2.gz QLHYYQDAWVLGCG-UHFFFAOYSA-N 1 0 203.289 2.216 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000340094681 534536918 /nfs/dbraw/zinc/53/69/18/534536918.db2.gz HZFGZIABCJWLON-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000339849889 534537589 /nfs/dbraw/zinc/53/75/89/534537589.db2.gz DYMKJTMPMWXMGO-NSHDSACASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352454517 534537660 /nfs/dbraw/zinc/53/76/60/534537660.db2.gz UWORMFHKINCNCB-BYCRGOAPSA-N 1 0 239.265 2.115 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000352472748 534538516 /nfs/dbraw/zinc/53/85/16/534538516.db2.gz JMUCCJBMCLRHKM-ZFWWWQNUSA-N 1 0 233.355 2.392 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(c2ccccc2)C1 ZINC000289915772 534538596 /nfs/dbraw/zinc/53/85/96/534538596.db2.gz UQXKZMOLVPBECW-MOKVOYLWSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(SC)cc1 ZINC000289741367 534540468 /nfs/dbraw/zinc/54/04/68/534540468.db2.gz GWEPVYIWWAFCDG-NSHDSACASA-N 1 0 223.341 2.045 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc2ccccc21 ZINC000356233422 534541252 /nfs/dbraw/zinc/54/12/52/534541252.db2.gz BFNXQKNQESQEBK-AWEZNQCLSA-N 1 0 227.307 2.476 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[N@@H+](C)CCC ZINC000352535842 534544233 /nfs/dbraw/zinc/54/42/33/534544233.db2.gz WCIGUJNIOFEUTO-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000336651470 534552624 /nfs/dbraw/zinc/55/26/24/534552624.db2.gz ALTCRDMELNNVAY-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000193505916 534568731 /nfs/dbraw/zinc/56/87/31/534568731.db2.gz PEYRMNHPENXJBL-WCQYABFASA-N 1 0 236.359 2.012 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000263030507 534582708 /nfs/dbraw/zinc/58/27/08/534582708.db2.gz HBFYBMDIXPJBSE-AAEUAGOBSA-N 1 0 245.326 2.004 20 30 BEEDRO C=CCCC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000351764433 534604560 /nfs/dbraw/zinc/60/45/60/534604560.db2.gz KXJQFQWJKVOOBK-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341216375 534608308 /nfs/dbraw/zinc/60/83/08/534608308.db2.gz MUEVBRXOGPHGBT-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376568854 534609655 /nfs/dbraw/zinc/60/96/55/534609655.db2.gz ITJWCIMQSOSBSD-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCC1(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000356092388 534636068 /nfs/dbraw/zinc/63/60/68/534636068.db2.gz OUAAZKQFIZWXLM-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000359121854 534646541 /nfs/dbraw/zinc/64/65/41/534646541.db2.gz BYZSXJFPXGWNRR-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000175764475 534647139 /nfs/dbraw/zinc/64/71/39/534647139.db2.gz AQGAFPCZVRUJPM-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248787815 534651730 /nfs/dbraw/zinc/65/17/30/534651730.db2.gz ILUGNTMWBZNKCT-AGIUHOORSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000176086819 534654388 /nfs/dbraw/zinc/65/43/88/534654388.db2.gz RVFCJLMLXWAWKP-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC(=O)NCCC[NH+]1CCCCC1 ZINC000175131290 534657933 /nfs/dbraw/zinc/65/79/33/534657933.db2.gz RGBJMJHOMGMHRL-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000263055886 534663899 /nfs/dbraw/zinc/66/38/99/534663899.db2.gz LRCLGXDCTAUKLX-RISCZKNCSA-N 1 0 249.333 2.327 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123192789 534665851 /nfs/dbraw/zinc/66/58/51/534665851.db2.gz OEFYNALGKUNNIM-VIFPVBQESA-N 1 0 206.245 2.259 20 30 BEEDRO C=CCCCCNC(=O)C12CCC[NH+]1CCC2 ZINC000355744603 534680554 /nfs/dbraw/zinc/68/05/54/534680554.db2.gz FFWUBZFNEGIXNM-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000353574303 534682723 /nfs/dbraw/zinc/68/27/23/534682723.db2.gz XADLOMZOIIGALU-WCQYABFASA-N 1 0 242.322 2.432 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000289688518 534683483 /nfs/dbraw/zinc/68/34/83/534683483.db2.gz ICBHVBFVVMEZQG-GXSJLCMTSA-N 1 0 209.289 2.094 20 30 BEEDRO C=CCCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290987417 534689920 /nfs/dbraw/zinc/68/99/20/534689920.db2.gz ZKEDSCLFMTYDHO-UHFFFAOYSA-N 1 0 230.315 2.404 20 30 BEEDRO C=CCCC[N@@H+](C)CCOCC(F)(F)F ZINC000076735091 534706081 /nfs/dbraw/zinc/70/60/81/534706081.db2.gz XJCWSXPCCXGZQM-UHFFFAOYSA-N 1 0 225.254 2.463 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000369295857 534723315 /nfs/dbraw/zinc/72/33/15/534723315.db2.gz YONOGDHNAWOUMJ-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000183432311 534734854 /nfs/dbraw/zinc/73/48/54/534734854.db2.gz UPACOFJWHGOKFJ-JTQLQIEISA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000309140738 534736427 /nfs/dbraw/zinc/73/64/27/534736427.db2.gz SYBLDWBZWZISLW-YPMHNXCESA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360418235 534756446 /nfs/dbraw/zinc/75/64/46/534756446.db2.gz XTYRSVFQZPKALY-NSHDSACASA-N 1 0 247.342 2.285 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000348158839 534761151 /nfs/dbraw/zinc/76/11/51/534761151.db2.gz IRIGZANOBFROSP-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C)c(C(=O)OC)o1 ZINC000342739999 534769085 /nfs/dbraw/zinc/76/90/85/534769085.db2.gz XZCBOCXFRVZZQJ-UHFFFAOYSA-N 1 0 237.299 2.383 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000342719379 534770353 /nfs/dbraw/zinc/77/03/53/534770353.db2.gz ISZOCIIGMAMANL-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NCCCCC ZINC000342729754 534771301 /nfs/dbraw/zinc/77/13/01/534771301.db2.gz YJWRTTGMHWEUMI-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000351957340 534773612 /nfs/dbraw/zinc/77/36/12/534773612.db2.gz JUOKWBIGRDMZJA-RYUDHWBXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000354581338 534779284 /nfs/dbraw/zinc/77/92/84/534779284.db2.gz XLPKRXWPEYYTSD-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCOC1)C1CC1 ZINC000120485541 534797652 /nfs/dbraw/zinc/79/76/52/534797652.db2.gz BUEMRCZKDWORHQ-WCQYABFASA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000125295968 534798079 /nfs/dbraw/zinc/79/80/79/534798079.db2.gz PBVSKSNMYOECPJ-ZJUUUORDSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)N(C)C)C1CC1 ZINC000125320840 534798605 /nfs/dbraw/zinc/79/86/05/534798605.db2.gz NKVIEMSTHUGOFH-DGCLKSJQSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000361137210 534805872 /nfs/dbraw/zinc/80/58/72/534805872.db2.gz VAEZGUUBRGMLPR-GWCFXTLKSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CC[NH+](CC=C)CC1(COC)CCC1 ZINC000361290798 534828666 /nfs/dbraw/zinc/82/86/66/534828666.db2.gz UQEKRRQWDJACGD-UHFFFAOYSA-N 1 0 209.333 2.477 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1CCO[C@@H](C)C1 ZINC000352745045 534830519 /nfs/dbraw/zinc/83/05/19/534830519.db2.gz SVXXBIHBPOGHHP-QWHCGFSZSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CCNC(=[NH2+])NCCc1ccc(Cl)s1 ZINC000261877459 534845283 /nfs/dbraw/zinc/84/52/83/534845283.db2.gz QFAFLSILCVOTBI-UHFFFAOYSA-N 1 0 243.763 2.034 20 30 BEEDRO C=CCN1CC[NH2+]C[C@@H]1c1ccc(CC)cc1 ZINC000262132516 534849714 /nfs/dbraw/zinc/84/97/14/534849714.db2.gz DDTDQILSPILEIA-OAHLLOKOSA-N 1 0 230.355 2.381 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000360957606 534852615 /nfs/dbraw/zinc/85/26/15/534852615.db2.gz AJVGLYFCUBEGDB-CYBMUJFWSA-N 1 0 203.285 2.326 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)C1CCCCCC1 ZINC000346834037 534859388 /nfs/dbraw/zinc/85/93/88/534859388.db2.gz NMIMHODJNDDDQC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCOCC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000339034303 534876575 /nfs/dbraw/zinc/87/65/75/534876575.db2.gz CMRHCPIPRNBZKU-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1ccoc1 ZINC000347967564 534873228 /nfs/dbraw/zinc/87/32/28/534873228.db2.gz PEBKZEGJSKAULQ-UHFFFAOYSA-N 1 0 209.289 2.304 20 30 BEEDRO C=CCOCC[NH+](CC1CC1)CC1CC1 ZINC000339036104 534876424 /nfs/dbraw/zinc/87/64/24/534876424.db2.gz HUEVCYZTRMHDFF-UHFFFAOYSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCC[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000338961694 534877496 /nfs/dbraw/zinc/87/74/96/534877496.db2.gz DBOLIASHHAGSTG-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000339135317 534877644 /nfs/dbraw/zinc/87/76/44/534877644.db2.gz RXDAFSLLALTJOJ-KGLIPLIRSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000339090313 534878354 /nfs/dbraw/zinc/87/83/54/534878354.db2.gz WWMLVKGTJBEYHI-ZDUSSCGKSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000339140023 534878809 /nfs/dbraw/zinc/87/88/09/534878809.db2.gz JQJHKBLTONMKKR-ZJUUUORDSA-N 1 0 237.265 2.462 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000185039838 526699916 /nfs/dbraw/zinc/69/99/16/526699916.db2.gz HKKOTGYNIWNBGF-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1nccs1 ZINC000309098576 526760596 /nfs/dbraw/zinc/76/05/96/526760596.db2.gz DSJGRJOAUCNDMF-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccsc1 ZINC000490935137 526844880 /nfs/dbraw/zinc/84/48/80/526844880.db2.gz LJUWAHSIMCVXFO-UHFFFAOYSA-N 1 0 217.337 2.249 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(CC)cn1 ZINC000491156372 526897102 /nfs/dbraw/zinc/89/71/02/526897102.db2.gz ZQPDUSOQHUWMBS-UHFFFAOYSA-N 1 0 202.301 2.099 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCO[C@H](CC)C1)C1CC1 ZINC000491427354 526902779 /nfs/dbraw/zinc/90/27/79/526902779.db2.gz KNIVATPPHDZAJF-GXTWGEPZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CCC)C1CCCC1 ZINC000491714649 526903207 /nfs/dbraw/zinc/90/32/07/526903207.db2.gz HAAYOTRKIPHCLF-ZDUSSCGKSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](CO)CC=C ZINC000336772632 527034406 /nfs/dbraw/zinc/03/44/06/527034406.db2.gz YFALTHDHQGAGIV-AGIUHOORSA-N 1 0 211.349 2.361 20 30 BEEDRO C=CCCCC[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495424854 527168516 /nfs/dbraw/zinc/16/85/16/527168516.db2.gz SFPBGBXFSGABCH-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCC2(CCCC2)O1 ZINC000491638832 527214753 /nfs/dbraw/zinc/21/47/53/527214753.db2.gz ZXUQSVWSPLYEDO-CHWSQXEVSA-N 1 0 221.344 2.432 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(COC)c1 ZINC000491486898 527214779 /nfs/dbraw/zinc/21/47/79/527214779.db2.gz ZAGHCINTVFIIRW-GFCCVEGCSA-N 1 0 217.312 2.287 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494670706 527250848 /nfs/dbraw/zinc/25/08/48/527250848.db2.gz GOOBXLSBOIIGLN-VXGBXAGGSA-N 1 0 209.333 2.188 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)noc1C)C(C)C ZINC000300985182 527291925 /nfs/dbraw/zinc/29/19/25/527291925.db2.gz UUFDGVVNWYJEJU-GFCCVEGCSA-N 1 0 206.289 2.039 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2cccc(C)n12)C(C)C ZINC000491817992 527410814 /nfs/dbraw/zinc/41/08/14/527410814.db2.gz WPZGEOYCUFGRBB-AWEZNQCLSA-N 1 0 241.338 2.390 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(C)(C)C ZINC000309097288 527413196 /nfs/dbraw/zinc/41/31/96/527413196.db2.gz DIKNCBQSNFDPIP-UTUOFQBUSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CCOCC1)C(C)C ZINC000309010867 527413280 /nfs/dbraw/zinc/41/32/80/527413280.db2.gz RUDSUSHSPMTKFD-AAEUAGOBSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCOCC1)C(C)(C)C ZINC000308828231 527414304 /nfs/dbraw/zinc/41/43/04/527414304.db2.gz FEUULASDRNVECZ-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCO[C@@H](CC)C1 ZINC000494457502 527423342 /nfs/dbraw/zinc/42/33/42/527423342.db2.gz ZECLKIFLZHYGEB-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404040260 527434215 /nfs/dbraw/zinc/43/42/15/527434215.db2.gz HHZQPOKXDICXSP-ZDUSSCGKSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CC[N@@H+](C)CCCN(CC)CC(F)(F)F ZINC000494641330 527572532 /nfs/dbraw/zinc/57/25/32/527572532.db2.gz FHTCJWGSWUIHCK-UHFFFAOYSA-N 1 0 238.297 2.379 20 30 BEEDRO COC[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000119652627 536523390 /nfs/dbraw/zinc/52/33/90/536523390.db2.gz MFHJNAJCVRHZKT-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)(C#N)CNC(=[NH2+])NC1CCCCCC1 ZINC000262290336 534977352 /nfs/dbraw/zinc/97/73/52/534977352.db2.gz GYTCRDSJUIWARH-UHFFFAOYSA-N 1 0 236.363 2.163 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@H]1CCO ZINC000303741663 534981962 /nfs/dbraw/zinc/98/19/62/534981962.db2.gz KBROYPXDBHTHHR-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CCC(C)(CO)CC1 ZINC000184072203 534995867 /nfs/dbraw/zinc/99/58/67/534995867.db2.gz YGHZKBRNDVKDGA-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO CC(C)(CCC#N)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353683438 534997730 /nfs/dbraw/zinc/99/77/30/534997730.db2.gz FNJUVSNYQUYODS-QWHCGFSZSA-N 1 0 235.375 2.000 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249892511 535006569 /nfs/dbraw/zinc/00/65/69/535006569.db2.gz QXVIPPYVHXRYQH-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)[C@H](Cn1cccn1)[NH2+]CCCCC#N ZINC000284273267 535044599 /nfs/dbraw/zinc/04/45/99/535044599.db2.gz WYTWSPKTQQYSCC-ZDUSSCGKSA-N 1 0 234.347 2.191 20 30 BEEDRO CC(C)CNC(=[NH2+])NCc1coc2ccccc12 ZINC000262433829 535064308 /nfs/dbraw/zinc/06/43/08/535064308.db2.gz SUDRYOCZXJCJDY-UHFFFAOYSA-N 1 0 245.326 2.493 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1c2ccccc2O[C@H]1C ZINC000262281895 535065198 /nfs/dbraw/zinc/06/51/98/535065198.db2.gz LDPSMSFOBQLZJM-GXFFZTMASA-N 1 0 247.342 2.069 20 30 BEEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCCC#N)C[C@H]1O ZINC000352996283 535081558 /nfs/dbraw/zinc/08/15/58/535081558.db2.gz FRILZCLXYKJPDN-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185841885 535164950 /nfs/dbraw/zinc/16/49/50/535164950.db2.gz ROKQKVPQAZWSSR-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC(N)=[NH+]OCCOc1cccc(C)c1 ZINC000268493231 535227133 /nfs/dbraw/zinc/22/71/33/535227133.db2.gz VTIHKJBMEJPNSZ-UHFFFAOYSA-N 1 0 222.288 2.073 20 30 BEEDRO CC[NH+]=C(NCC1CC1)N1CC[C@](C)(CC)C1 ZINC000261807213 535259945 /nfs/dbraw/zinc/25/99/45/535259945.db2.gz SBMHGQUDVOGKRB-AWEZNQCLSA-N 1 0 237.391 2.484 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000263109833 535276478 /nfs/dbraw/zinc/27/64/78/535276478.db2.gz KXRRTCXIFTYITP-AVGNSLFASA-N 1 0 237.391 2.325 20 30 BEEDRO CC(C)[C@@]1(CO)CCC[N@H+](CCCCC#N)C1 ZINC000339706265 535318599 /nfs/dbraw/zinc/31/85/99/535318599.db2.gz FPGMSVOVOKNOLR-AWEZNQCLSA-N 1 0 238.375 2.411 20 30 BEEDRO CC(C)[NH+]=C(NCCc1ccco1)N1CCCC1 ZINC000262667237 535337832 /nfs/dbraw/zinc/33/78/32/535337832.db2.gz NWYGLXBCQRDEJW-UHFFFAOYSA-N 1 0 249.358 2.272 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264060917 535387995 /nfs/dbraw/zinc/38/79/95/535387995.db2.gz CUSOTNPHDIMSGN-UHFFFAOYSA-N 1 0 245.370 2.375 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H](C)Oc1ccccc1 ZINC000267409434 535389621 /nfs/dbraw/zinc/38/96/21/535389621.db2.gz HWMSRDSSSNBOQV-LBPRGKRZSA-N 1 0 249.358 2.110 20 30 BEEDRO CCOC1CC2(C1)CC[N@H+](CC1(C#N)CC1)C2 ZINC000353022422 535396157 /nfs/dbraw/zinc/39/61/57/535396157.db2.gz LVQDOAQVTQBQCK-UHFFFAOYSA-N 1 0 234.343 2.181 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN(CCC(C)(C)C#N)C1 ZINC000087595605 535679845 /nfs/dbraw/zinc/67/98/45/535679845.db2.gz GLZWUKZYPHTRTE-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO CCNC(N[C@H]1c2ccccc2O[C@H]1C)=[NH+]CC ZINC000262310584 535786796 /nfs/dbraw/zinc/78/67/96/535786796.db2.gz SJENCHHDHLKYSZ-GXFFZTMASA-N 1 0 247.342 2.084 20 30 BEEDRO CCNC(NCc1ccc(OCC)cc1)=[NH+]CC ZINC000264143421 535786870 /nfs/dbraw/zinc/78/68/70/535786870.db2.gz XBYJUWJJMPEPDP-UHFFFAOYSA-N 1 0 249.358 2.160 20 30 BEEDRO CC[C@@H](O)C[N@H+](CCC#N)CCC(C)C ZINC000304670069 535812273 /nfs/dbraw/zinc/81/22/73/535812273.db2.gz BXUREDZAIWEKNK-GFCCVEGCSA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000263094726 535818658 /nfs/dbraw/zinc/81/86/58/535818658.db2.gz JEEMXHGMWBJDDP-IJLUTSLNSA-N 1 0 223.364 2.140 20 30 BEEDRO CC[C@]1(C)C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339114422 535919057 /nfs/dbraw/zinc/91/90/57/535919057.db2.gz XAXAEJLXJWWZML-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000339077582 535940069 /nfs/dbraw/zinc/94/00/69/535940069.db2.gz UAICRMUCINWENC-BNOWGMLFSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCOCCC#N ZINC000339091579 536180593 /nfs/dbraw/zinc/18/05/93/536180593.db2.gz WFIXXDVKNXNNFQ-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)CC1CCOCC1 ZINC000087595671 536313974 /nfs/dbraw/zinc/31/39/74/536313974.db2.gz VFCMDQXOSAPGLE-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C[NH2+][C@@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000261536410 536344126 /nfs/dbraw/zinc/34/41/26/536344126.db2.gz RPFBRMQJWIMBMI-QMMMGPOBSA-N 1 0 223.707 2.231 20 30 BEEDRO C[N@H+](CCN1CCCC1)CC(C)(C)CCC#N ZINC000349074987 536371149 /nfs/dbraw/zinc/37/11/49/536371149.db2.gz NPHCNXAHZBGXII-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C[NH2+][C@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000062785890 536414869 /nfs/dbraw/zinc/41/48/69/536414869.db2.gz GYIVRDVLMKPHBT-LBPRGKRZSA-N 1 0 249.745 2.400 20 30 BEEDRO C[NH2+][C@H]1CCCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000061847079 536415586 /nfs/dbraw/zinc/41/55/86/536415586.db2.gz UWFJOIXHBQNBKL-NSHDSACASA-N 1 0 249.745 2.400 20 30 BEEDRO COC1(CC[N@H+](C)CC(C)(C)C#N)CCC1 ZINC000339246783 536607076 /nfs/dbraw/zinc/60/70/76/536607076.db2.gz DJOJSIHSRTXKFI-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000334388214 536692829 /nfs/dbraw/zinc/69/28/29/536692829.db2.gz QGTVBWREAVIFOU-BXUZGUMPSA-N 1 0 230.311 2.340 20 30 BEEDRO COCC1(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000340443038 536819800 /nfs/dbraw/zinc/81/98/00/536819800.db2.gz GANBJXOWOBZXAH-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC000389982233 566380493 /nfs/dbraw/zinc/38/04/93/566380493.db2.gz JTDKTBFJYORMNE-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC000389982231 566380556 /nfs/dbraw/zinc/38/05/56/566380556.db2.gz JTDKTBFJYORMNE-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CC[N@@H+](CCCc1ccc(C)nc1)C1CC1 ZINC000491639788 566452139 /nfs/dbraw/zinc/45/21/39/566452139.db2.gz ZHRKOSCDAYULBA-UHFFFAOYSA-N 1 0 228.339 2.420 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CSCCC ZINC000893566307 583165001 /nfs/dbraw/zinc/16/50/01/583165001.db2.gz AKAAYRQPNZDOSP-QWRGUYRKSA-N 1 0 217.378 2.045 20 30 BEEDRO C#Cc1cccnc1NC1CC[NH+](CCC)CC1 ZINC000853094483 588719372 /nfs/dbraw/zinc/71/93/72/588719372.db2.gz YYXSRTOPVPCNFJ-UHFFFAOYSA-N 1 0 243.354 2.349 20 30 BEEDRO C#Cc1cccnc1NCC[N@@H+](CC)C(C)C ZINC000853253943 588729250 /nfs/dbraw/zinc/72/92/50/588729250.db2.gz SVKPXVDXZWBDKH-UHFFFAOYSA-N 1 0 231.343 2.205 20 30 BEEDRO FC(F)(F)[C@H]1CCC[C@H](C=[NH+]n2cnnc2)C1 ZINC000853253864 588729274 /nfs/dbraw/zinc/72/92/74/588729274.db2.gz HIIBOXWPOPNALX-IUCAKERBSA-N 1 0 246.236 2.481 20 30 BEEDRO C[C@H]1CNC(NN=C2CCCC(C)(C)CC2)=[NH+]1 ZINC000853330264 588733688 /nfs/dbraw/zinc/73/36/88/588733688.db2.gz LOMWRYNXTZITNU-JTQLQIEISA-N 1 0 236.363 2.270 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCC(=C3CCC3)CC2)=[NH+]1 ZINC000853330751 588733969 /nfs/dbraw/zinc/73/39/69/588733969.db2.gz UXCOIRPBUQWQFA-SNVBAGLBSA-N 1 0 246.358 2.334 20 30 BEEDRO CC(CC[NH+](C)C)=NN1CCCC[C@H]1C ZINC000853379243 588738618 /nfs/dbraw/zinc/73/86/18/588738618.db2.gz HGFPVXGXUTYZHA-GFCCVEGCSA-N 1 0 211.353 2.188 20 30 BEEDRO C#Cc1cccnc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853412328 588741579 /nfs/dbraw/zinc/74/15/79/588741579.db2.gz ZVCACGAGTJDIIG-KBPBESRZSA-N 1 0 243.354 2.348 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(Cl)cn1 ZINC000853437309 588742289 /nfs/dbraw/zinc/74/22/89/588742289.db2.gz JUCQAAZMCDCTOO-MRVPVSSYSA-N 1 0 238.722 2.084 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CN2C(=O)[C@@H]3CCC[C@@H]32)C1 ZINC000853536551 588747995 /nfs/dbraw/zinc/74/79/95/588747995.db2.gz DNRGXGICZCGNPA-MJBXVCDLSA-N 1 0 248.370 2.243 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CN2C[C@@H](C)CC2=O)C1 ZINC000853537182 588748099 /nfs/dbraw/zinc/74/80/99/588748099.db2.gz QRFKKIPAQAAJJA-QWHCGFSZSA-N 1 0 236.359 2.100 20 30 BEEDRO C=C(Cl)CON=C(N)C[NH+]1CCCCCC1 ZINC000853666516 588751828 /nfs/dbraw/zinc/75/18/28/588751828.db2.gz OBGJNKRBQNOPBW-UHFFFAOYSA-N 1 0 245.754 2.113 20 30 BEEDRO C#Cc1cccnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000853669385 588754193 /nfs/dbraw/zinc/75/41/93/588754193.db2.gz PEMAPEAHJSLRKD-AGUYFDCRSA-N 1 0 241.338 2.100 20 30 BEEDRO C#CCOCCOc1cc(C)[nH+]c(C)c1C ZINC000853706647 588758337 /nfs/dbraw/zinc/75/83/37/588758337.db2.gz ZZKMNPWROURRDO-UHFFFAOYSA-N 1 0 219.284 2.035 20 30 BEEDRO C#Cc1cccnc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000853749115 588761094 /nfs/dbraw/zinc/76/10/94/588761094.db2.gz WDZBSUHWYSRKAS-ZDUSSCGKSA-N 1 0 243.354 2.348 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC000890557496 582477062 /nfs/dbraw/zinc/47/70/62/582477062.db2.gz AAWOZRAGQQYVGF-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CN[NH+]=Cc1ccc2c(c1)CCN2C ZINC000811651709 582482218 /nfs/dbraw/zinc/48/22/18/582482218.db2.gz KRBLONRQYBJBMM-UHFFFAOYSA-N 1 0 229.327 2.179 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](CC)[NH+](C)C ZINC000890810317 582572363 /nfs/dbraw/zinc/57/23/63/582572363.db2.gz RSACVRKGXNAKER-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000855383554 588830267 /nfs/dbraw/zinc/83/02/67/588830267.db2.gz ZAUZORBLHDTXLM-UHFFFAOYSA-N 1 0 246.354 2.097 20 30 BEEDRO C=CC(C)(C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000891266602 582645640 /nfs/dbraw/zinc/64/56/40/582645640.db2.gz FCUMZLMQAWTTIW-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000891266587 582645648 /nfs/dbraw/zinc/64/56/48/582645648.db2.gz DTZQGJMHCKXDOH-NWDGAFQWSA-N 1 0 236.359 2.084 20 30 BEEDRO C#Cc1ccc(NC(=O)CCCC[NH+](C)C)cc1 ZINC000891314016 582663140 /nfs/dbraw/zinc/66/31/40/582663140.db2.gz GEAMHYJZCPSJJN-UHFFFAOYSA-N 1 0 244.338 2.338 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1 ZINC000891313894 582663271 /nfs/dbraw/zinc/66/32/71/582663271.db2.gz BXLZQZBUFSDQSJ-CQSZACIVSA-N 1 0 244.338 2.193 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c2c(nn1C)CCC2 ZINC000891457528 582690437 /nfs/dbraw/zinc/69/04/37/582690437.db2.gz RTPHVYRBVKTONU-UHFFFAOYSA-N 1 0 233.359 2.307 20 30 BEEDRO CC[C@@H]1COCCN1Cc1csc(C#N)c1 ZINC000891716120 582712984 /nfs/dbraw/zinc/71/29/84/582712984.db2.gz LWSQGKVNDUGVGN-LLVKDONJSA-N 1 0 236.340 2.231 20 30 BEEDRO Cc1cc(F)ncc1CN(C)C[C@H](C)C#N ZINC000891716362 582713266 /nfs/dbraw/zinc/71/32/66/582713266.db2.gz PGWULWFSTRGVHB-SECBINFHSA-N 1 0 221.279 2.121 20 30 BEEDRO CC(C)[C@@H]1CCCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779798146 582734698 /nfs/dbraw/zinc/73/46/98/582734698.db2.gz MSRBSXJBKMSJCF-MNOVXSKESA-N 1 0 236.363 2.126 20 30 BEEDRO CCCCCCCNC(=O)C1CC[NH2+]CC1 ZINC000100019784 582753301 /nfs/dbraw/zinc/75/33/01/582753301.db2.gz BEJHNDSLPBSWKS-UHFFFAOYSA-N 1 0 226.364 2.073 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)N[C@@H](C)CC[NH3+] ZINC000892056472 582778121 /nfs/dbraw/zinc/77/81/21/582778121.db2.gz SEBLYHXSUYJZQR-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO Cc1cc(C#N)nc(N[C@@H](C)CC[NH+](C)C)c1 ZINC000892085849 582788403 /nfs/dbraw/zinc/78/84/03/582788403.db2.gz QRLNYHQCPNUEEW-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000892146252 582800623 /nfs/dbraw/zinc/80/06/23/582800623.db2.gz OXONEBXKQHFHEU-MNOVXSKESA-N 1 0 241.379 2.014 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)ccc1F ZINC000135534226 582827103 /nfs/dbraw/zinc/82/71/03/582827103.db2.gz LKNGVGVBVOGOAT-GXSJLCMTSA-N 1 0 218.275 2.443 20 30 BEEDRO N#CCC1(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000849025954 582830741 /nfs/dbraw/zinc/83/07/41/582830741.db2.gz QQQVMBWBHONTDJ-UHFFFAOYSA-N 1 0 234.347 2.081 20 30 BEEDRO N#CCC1(CNC(=[NH2+])Nc2ccccc2)CC1 ZINC000849026107 582830837 /nfs/dbraw/zinc/83/08/37/582830837.db2.gz VWMUTMKUAIKOFV-UHFFFAOYSA-N 1 0 228.299 2.317 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1nc(C(C)(C)C)no1 ZINC000743486143 582849552 /nfs/dbraw/zinc/84/95/52/582849552.db2.gz ZQMZLBTVMFDWFB-SNVBAGLBSA-N 1 0 235.331 2.431 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2cc(C)cnn2)CC1 ZINC000892396770 582875494 /nfs/dbraw/zinc/87/54/94/582875494.db2.gz QCRGEOFGUPXLRC-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO C[N@H+](CC[C@H]1COC(C)(C)O1)CC(C)(C)C#N ZINC000852089825 582999445 /nfs/dbraw/zinc/99/94/45/582999445.db2.gz WCBHZHSNFMDZMU-NSHDSACASA-N 1 0 240.347 2.010 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1ccccc1C ZINC000852092747 583000376 /nfs/dbraw/zinc/00/03/76/583000376.db2.gz ZRAWTJKKQSQBPW-UHFFFAOYSA-N 1 0 231.339 2.470 20 30 BEEDRO C=CC[C@@H]([NH2+][C@H](C)COC(C)=O)c1ccncc1 ZINC000892973045 583024227 /nfs/dbraw/zinc/02/42/27/583024227.db2.gz MSISROADSHPUQA-BXUZGUMPSA-N 1 0 248.326 2.240 20 30 BEEDRO COc1ccc2[nH+]ccc(NCCCC#N)c2c1 ZINC000893128829 583054106 /nfs/dbraw/zinc/05/41/06/583054106.db2.gz RKEVEVQMERVXES-UHFFFAOYSA-N 1 0 241.294 2.381 20 30 BEEDRO C#CC[C@@H]([NH2+][C@H](C)COC(C)=O)c1ccccc1 ZINC000893239926 583076429 /nfs/dbraw/zinc/07/64/29/583076429.db2.gz VINYHACCAMQZOS-IUODEOHRSA-N 1 0 245.322 2.292 20 30 BEEDRO C#CC[C@H]([NH2+][C@H](C)COC(C)=O)c1ccccc1 ZINC000893239925 583076531 /nfs/dbraw/zinc/07/65/31/583076531.db2.gz VINYHACCAMQZOS-DOMZBBRYSA-N 1 0 245.322 2.292 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1csc(C#N)c1 ZINC000893670045 583192523 /nfs/dbraw/zinc/19/25/23/583192523.db2.gz YBAYPKAPNLGDFH-GHMZBOCLSA-N 1 0 249.383 2.144 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cncc(OCC)c2)C1 ZINC000857049234 588883947 /nfs/dbraw/zinc/88/39/47/588883947.db2.gz HVHXNNSUGHWLQT-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)cc1 ZINC000840978422 583214075 /nfs/dbraw/zinc/21/40/75/583214075.db2.gz NUVBIGFDVQMOIN-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO CCC#CCOC(=O)[C@@H](CC)[NH+](CC)CC ZINC000893840919 583231083 /nfs/dbraw/zinc/23/10/83/583231083.db2.gz IFJJLNGSYMYXCX-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CC[N@H+](Cc1[nH]nc(C)c1C)C(C)C ZINC000893952144 583260286 /nfs/dbraw/zinc/26/02/86/583260286.db2.gz CDGOVBQICLMIPR-UHFFFAOYSA-N 1 0 207.321 2.423 20 30 BEEDRO C=CC1CC[NH+](Cc2[nH]nc(C)c2C)CC1 ZINC000894021681 583274530 /nfs/dbraw/zinc/27/45/30/583274530.db2.gz XFOMWPQCIMPPEL-UHFFFAOYSA-N 1 0 219.332 2.425 20 30 BEEDRO C[N@H+](CCCCCO)Cc1csc(C#N)c1 ZINC000894112364 583308854 /nfs/dbraw/zinc/30/88/54/583308854.db2.gz FVUVUROJTFYLQZ-UHFFFAOYSA-N 1 0 238.356 2.214 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(NC(C)=O)c1)C(C)C ZINC000877512983 583319726 /nfs/dbraw/zinc/31/97/26/583319726.db2.gz HSMIUILODAEPTJ-HNNXBMFYSA-N 1 0 244.338 2.392 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CC[P@@](C)(=O)OCC ZINC000877513578 583321230 /nfs/dbraw/zinc/32/12/30/583321230.db2.gz AVMOEKDWJRTWMF-PGUXBMHVSA-N 1 0 231.276 2.321 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000877623724 583339568 /nfs/dbraw/zinc/33/95/68/583339568.db2.gz YHZLNBVXLYREMX-STQMWFEESA-N 1 0 246.358 2.457 20 30 BEEDRO CC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccc(C#N)cc1 ZINC000791052914 583384531 /nfs/dbraw/zinc/38/45/31/583384531.db2.gz PHRVCNFJCXINTF-LLVKDONJSA-N 1 0 247.298 2.218 20 30 BEEDRO Cc1noc2ncc(C[NH2+]CCCCC#N)cc12 ZINC000894239245 583386705 /nfs/dbraw/zinc/38/67/05/583386705.db2.gz YRUVTGZBVQAZDK-UHFFFAOYSA-N 1 0 244.298 2.315 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000894383429 583442664 /nfs/dbraw/zinc/44/26/64/583442664.db2.gz KITWTYRHAANLAC-LLVKDONJSA-N 1 0 203.285 2.115 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894383909 583442831 /nfs/dbraw/zinc/44/28/31/583442831.db2.gz OZKSHIIAGQVHDX-MRVPVSSYSA-N 1 0 209.676 2.157 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)noc1CC)C(C)C ZINC000894387751 583444127 /nfs/dbraw/zinc/44/41/27/583444127.db2.gz VBOYJKJQXMICHU-GFCCVEGCSA-N 1 0 220.316 2.293 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000894387582 583444923 /nfs/dbraw/zinc/44/49/23/583444923.db2.gz QHBXNNMVSRCSPI-CQSZACIVSA-N 1 0 231.343 2.185 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894413286 583453071 /nfs/dbraw/zinc/45/30/71/583453071.db2.gz BBZFCLIUJFWWMU-UHFFFAOYSA-N 1 0 233.267 2.394 20 30 BEEDRO C#CC[N@@H+](Cc1cc(F)cc(F)c1[O-])C1CC1 ZINC000894469105 583467826 /nfs/dbraw/zinc/46/78/26/583467826.db2.gz CXKMEUGYTXHXQS-UHFFFAOYSA-N 1 0 237.249 2.268 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894532869 583479046 /nfs/dbraw/zinc/47/90/46/583479046.db2.gz OIKOODGKFWFIFR-UHFFFAOYSA-N 1 0 233.267 2.394 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894772181 583516739 /nfs/dbraw/zinc/51/67/39/583516739.db2.gz HAIFPUPJXSNEJG-IVZWLZJFSA-N 1 0 222.336 2.364 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894772180 583516849 /nfs/dbraw/zinc/51/68/49/583516849.db2.gz HAIFPUPJXSNEJG-GUBZILKMSA-N 1 0 222.336 2.364 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccnc(OC)c1F ZINC000894775592 583518124 /nfs/dbraw/zinc/51/81/24/583518124.db2.gz NQNUGELUDWJSKA-UHFFFAOYSA-N 1 0 224.279 2.285 20 30 BEEDRO Cc1ccnc(N)c1C[NH2+]CC(C)(C)CCC#N ZINC000894781443 583520623 /nfs/dbraw/zinc/52/06/23/583520623.db2.gz PGLUTZPIOMFNOH-UHFFFAOYSA-N 1 0 246.358 2.392 20 30 BEEDRO C#C[C@H]([NH2+]Cc1[nH]nc(C)c1C)C(C)(C)C ZINC000894785012 583521248 /nfs/dbraw/zinc/52/12/48/583521248.db2.gz PKXIAUXEMAAOIV-LBPRGKRZSA-N 1 0 219.332 2.164 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCO[C@H]1CCCCO1 ZINC000894798252 583522295 /nfs/dbraw/zinc/52/22/95/583522295.db2.gz DABSKSIGDZINKX-OLZOCXBDSA-N 1 0 227.348 2.474 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000115548841 588908893 /nfs/dbraw/zinc/90/88/93/588908893.db2.gz SGCJPIMNYDXGEY-GFCCVEGCSA-N 1 0 227.348 2.452 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(C)ccnc1N ZINC000894894635 583549661 /nfs/dbraw/zinc/54/96/61/583549661.db2.gz KOLLRFVEGLFFNA-UHFFFAOYSA-N 1 0 205.305 2.028 20 30 BEEDRO C=CCCC(C)(C)CNc1cc[nH+]cc1CO ZINC000894910564 583554756 /nfs/dbraw/zinc/55/47/56/583554756.db2.gz OXHYPHLARXKUEA-UHFFFAOYSA-N 1 0 234.343 2.400 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)C1 ZINC000895010859 583567086 /nfs/dbraw/zinc/56/70/86/583567086.db2.gz WTMNZOYIMJAHND-GXSJLCMTSA-N 1 0 234.274 2.313 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ocnc2C)C1 ZINC000895078768 583581560 /nfs/dbraw/zinc/58/15/60/583581560.db2.gz QUPXAFOOTBNPSY-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CSC(C)(C)C ZINC000895096641 583588204 /nfs/dbraw/zinc/58/82/04/583588204.db2.gz OKLMYWDCDWLYIS-RYUDHWBXSA-N 1 0 243.416 2.271 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CCC(F)(F)F ZINC000895096139 583587765 /nfs/dbraw/zinc/58/77/65/583587765.db2.gz MJZPISYNHIHUDA-NXEZZACHSA-N 1 0 237.265 2.081 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)CC#CC ZINC000895096591 583587823 /nfs/dbraw/zinc/58/78/23/583587823.db2.gz NVDUBBSVCDLRLF-KGLIPLIRSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000895095209 583587826 /nfs/dbraw/zinc/58/78/26/583587826.db2.gz GYOUVJMMDTYEMY-UONOGXRCSA-N 1 0 223.360 2.485 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)CC#CC ZINC000895096590 583588024 /nfs/dbraw/zinc/58/80/24/583588024.db2.gz NVDUBBSVCDLRLF-KBPBESRZSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000895103421 583589042 /nfs/dbraw/zinc/58/90/42/583589042.db2.gz UHJGMCMRLSVFAT-ZBFHGGJFSA-N 1 0 245.366 2.290 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000895103277 583589179 /nfs/dbraw/zinc/58/91/79/583589179.db2.gz QSAYXVZEMVERME-GOEBONIOSA-N 1 0 245.366 2.462 20 30 BEEDRO CC(C)CCCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000895105729 583590105 /nfs/dbraw/zinc/59/01/05/583590105.db2.gz BVIKRNDCZGHPRB-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000895112613 583591579 /nfs/dbraw/zinc/59/15/79/583591579.db2.gz RLWLKSVLNUMMPI-GOEBONIOSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CC)C(=O)OC ZINC000895128801 583600267 /nfs/dbraw/zinc/60/02/67/583600267.db2.gz XFEPWSKEVLCHFV-GHMZBOCLSA-N 1 0 213.321 2.130 20 30 BEEDRO CC[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C(=O)OC ZINC000895134786 583601782 /nfs/dbraw/zinc/60/17/82/583601782.db2.gz ABLWIXZQKIDQFY-QWRGUYRKSA-N 1 0 240.347 2.104 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857861268 588915388 /nfs/dbraw/zinc/91/53/88/588915388.db2.gz ZNVKKDUPABEUBF-ONGXEEELSA-N 1 0 205.305 2.341 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000857865843 588915572 /nfs/dbraw/zinc/91/55/72/588915572.db2.gz PBWMFZIHICSBNE-NSHDSACASA-N 1 0 230.315 2.071 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@H]1CO ZINC000895149726 583606170 /nfs/dbraw/zinc/60/61/70/583606170.db2.gz AMXZSLVTCIOCIU-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160964 583610060 /nfs/dbraw/zinc/61/00/60/583610060.db2.gz QBDWIASEVXUFGW-RYUDHWBXSA-N 1 0 242.363 2.171 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ocnc1C ZINC000895243799 583631563 /nfs/dbraw/zinc/63/15/63/583631563.db2.gz QDBYLXRCKRNADW-UHFFFAOYSA-N 1 0 226.345 2.382 20 30 BEEDRO COCCN(C)[NH+]=C1CCCNc2ccccc21 ZINC000794973817 583633674 /nfs/dbraw/zinc/63/36/74/583633674.db2.gz JBGGCEMVKPGHFI-UHFFFAOYSA-N 1 0 247.342 2.175 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]C(C)(C)C ZINC000895270100 583634854 /nfs/dbraw/zinc/63/48/54/583634854.db2.gz FFUYPGLIMHXBQP-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC(C)=NO2)C1 ZINC000895300616 583642295 /nfs/dbraw/zinc/64/22/95/583642295.db2.gz OQYAZBDXIPIGTH-JHJVBQTASA-N 1 0 222.332 2.486 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895306899 583643034 /nfs/dbraw/zinc/64/30/34/583643034.db2.gz KXKHTYFLGUUFRD-WCQGTBRESA-N 1 0 210.321 2.342 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000895322547 583649934 /nfs/dbraw/zinc/64/99/34/583649934.db2.gz VBVRLXALBNISTN-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895322548 583650258 /nfs/dbraw/zinc/65/02/58/583650258.db2.gz VBVRLXALBNISTN-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000895330937 583653028 /nfs/dbraw/zinc/65/30/28/583653028.db2.gz SMGWRFWFXLVXOU-BDAKNGLRSA-N 1 0 218.138 2.326 20 30 BEEDRO C=CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000895330948 583653247 /nfs/dbraw/zinc/65/32/47/583653247.db2.gz SMGWRFWFXLVXOU-RKDXNWHRSA-N 1 0 218.138 2.326 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CC1CSC1 ZINC000895421431 583673004 /nfs/dbraw/zinc/67/30/04/583673004.db2.gz FRVQPTKAEBSFEA-UHFFFAOYSA-N 1 0 236.315 2.150 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000895562400 583691682 /nfs/dbraw/zinc/69/16/82/583691682.db2.gz GDOAJQUSVWXXPT-LBPRGKRZSA-N 1 0 243.354 2.143 20 30 BEEDRO CC1(C)OC[C@H]2C[C@]21[NH2+]CC#Cc1ccccc1 ZINC000895570559 583691940 /nfs/dbraw/zinc/69/19/40/583691940.db2.gz LMJTWKAGGYLHNK-ZBFHGGJFSA-N 1 0 241.334 2.195 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(c2ncccn2)CCC1 ZINC000895622136 583697308 /nfs/dbraw/zinc/69/73/08/583697308.db2.gz HRZOAYZESLOQEY-LBPRGKRZSA-N 1 0 244.342 2.385 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(Cl)nn2)CCCC1 ZINC000895677148 583704700 /nfs/dbraw/zinc/70/47/00/583704700.db2.gz JFZPJBZGEMQHTI-UHFFFAOYSA-N 1 0 235.718 2.166 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2ccc(CC)o2)CC1 ZINC000895669593 583706282 /nfs/dbraw/zinc/70/62/82/583706282.db2.gz GUQVGAKFMKTALU-UHFFFAOYSA-N 1 0 247.338 2.192 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000895671951 583706675 /nfs/dbraw/zinc/70/66/75/583706675.db2.gz NFIKSIIJLVMJKD-RWMBFGLXSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CSCCC ZINC000895672851 583707010 /nfs/dbraw/zinc/70/70/10/583707010.db2.gz XZBCDYNJLFSXOS-RYUDHWBXSA-N 1 0 229.389 2.146 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)CC(=C)C ZINC000895713956 583711151 /nfs/dbraw/zinc/71/11/51/583711151.db2.gz XDGISPHFPWZIJS-CQSZACIVSA-N 1 0 223.360 2.487 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000895833717 583735465 /nfs/dbraw/zinc/73/54/65/583735465.db2.gz CZWNLYQAHKYBED-LBPRGKRZSA-N 1 0 241.400 2.143 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)CCCF ZINC000895895710 583743862 /nfs/dbraw/zinc/74/38/62/583743862.db2.gz DBWIIDJJSMNDNA-UHFFFAOYSA-N 1 0 249.333 2.416 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(CC)nc2C)CC1 ZINC000895954071 583752026 /nfs/dbraw/zinc/75/20/26/583752026.db2.gz UZAPZEGLKCSKLY-CTYIDZIISA-N 1 0 245.370 2.493 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896180457 583779819 /nfs/dbraw/zinc/77/98/19/583779819.db2.gz CRTSJYKWIPFYEE-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000896297441 583789281 /nfs/dbraw/zinc/78/92/81/583789281.db2.gz AZYYSSQSDSLCQD-GFCCVEGCSA-N 1 0 246.358 2.177 20 30 BEEDRO COC1CCC(C[N@@H+]2CCC[C@H](C#N)C2)CC1 ZINC000896500456 583807024 /nfs/dbraw/zinc/80/70/24/583807024.db2.gz FFSVAJFSXYVUJS-ROKHWSDSSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858039933 588930853 /nfs/dbraw/zinc/93/08/53/588930853.db2.gz AIQHZCREZKLVBQ-CQSZACIVSA-N 1 0 244.338 2.257 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858038633 588931006 /nfs/dbraw/zinc/93/10/06/588931006.db2.gz NYPCTTOXPYYXFI-ZDUSSCGKSA-N 1 0 232.327 2.419 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](c1ncccn1)C1CC1 ZINC000896598304 583816674 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/nfs/dbraw/zinc/03/30/72/584033072.db2.gz IKRJTFKQQLTEGS-VIFPVBQESA-N 1 0 221.329 2.459 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000897685290 584040036 /nfs/dbraw/zinc/04/00/36/584040036.db2.gz IGDJBTBBSRHGHO-DOMZBBRYSA-N 1 0 247.338 2.064 20 30 BEEDRO C[C@H]1CC2(CC([NH2+]Cc3ccc(C#N)o3)C2)CO1 ZINC000897780430 584047598 /nfs/dbraw/zinc/04/75/98/584047598.db2.gz GXUMQQIBYXTKTD-IFQILLTASA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)o1 ZINC000897953980 584064323 /nfs/dbraw/zinc/06/43/23/584064323.db2.gz WGACBXDWIDFTBJ-JIMOISOXSA-N 1 0 216.284 2.429 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC000897957906 584065728 /nfs/dbraw/zinc/06/57/28/584065728.db2.gz FDUFWEQFQPIVRR-DDTOSNHZSA-N 1 0 227.311 2.231 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)n1 ZINC000897957029 584065974 /nfs/dbraw/zinc/06/59/74/584065974.db2.gz AKXUCNOHVVUGBH-FBIMIBRVSA-N 1 0 233.340 2.293 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC000897957912 584066598 /nfs/dbraw/zinc/06/65/98/584066598.db2.gz FDUFWEQFQPIVRR-LEWSCRJBSA-N 1 0 227.311 2.231 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)C1 ZINC000897960080 584068145 /nfs/dbraw/zinc/06/81/45/584068145.db2.gz YQWFYUSDFZKRDJ-KSSYENDESA-N 1 0 204.317 2.457 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000897991917 584073261 /nfs/dbraw/zinc/07/32/61/584073261.db2.gz VOULXKUNETYLGM-GXSJLCMTSA-N 1 0 242.282 2.005 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CC(CCO)C1 ZINC000898015136 584074535 /nfs/dbraw/zinc/07/45/35/584074535.db2.gz KDZFUJAHCIMVOO-UNXYVOJBSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC(C)(C)C1 ZINC000898033960 584077967 /nfs/dbraw/zinc/07/79/67/584077967.db2.gz FCYCSDLPYJTAKQ-ZDUSSCGKSA-N 1 0 237.391 2.248 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000898034095 584078247 /nfs/dbraw/zinc/07/82/47/584078247.db2.gz HYMKLUFESICYEW-CHWSQXEVSA-N 1 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PNFBMCUDLVAATH-RAIGVLPGSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898388300 584131757 /nfs/dbraw/zinc/13/17/57/584131757.db2.gz YSVBKSBKMLHPEW-KCPJHIHWSA-N 1 0 244.338 2.174 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C/C=C\Cl ZINC000898428009 584133118 /nfs/dbraw/zinc/13/31/18/584133118.db2.gz GLCRHRXJPMLJDG-SROOVFNMSA-N 1 0 242.750 2.427 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C/C=C/Cl ZINC000898429512 584133716 /nfs/dbraw/zinc/13/37/16/584133716.db2.gz OZUCIVIRPRBEGL-ZZXKWVIFSA-N 1 0 249.745 2.466 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000898460193 584137000 /nfs/dbraw/zinc/13/70/00/584137000.db2.gz GVSQZLIEEIPEDZ-UHFFFAOYSA-N 1 0 237.299 2.429 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000898457685 584137305 /nfs/dbraw/zinc/13/73/05/584137305.db2.gz RVRGTMABRFDOPB-UHFFFAOYSA-N 1 0 242.326 2.322 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000898457450 584137617 /nfs/dbraw/zinc/13/76/17/584137617.db2.gz OEUUIXDLUUSXHV-UHFFFAOYSA-N 1 0 244.342 2.400 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000898462473 584138604 /nfs/dbraw/zinc/13/86/04/584138604.db2.gz OHBMIOKLQHWLBA-UHFFFAOYSA-N 1 0 246.354 2.443 20 30 BEEDRO C=C1CN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)C1 ZINC000898694527 584153814 /nfs/dbraw/zinc/15/38/14/584153814.db2.gz IEFQRKLPHLPLTP-AWEZNQCLSA-N 1 0 244.338 2.078 20 30 BEEDRO N#CC1CCC(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858529212 588963262 /nfs/dbraw/zinc/96/32/62/588963262.db2.gz JKKROBHZAONMHW-UHFFFAOYSA-N 1 0 245.326 2.316 20 30 BEEDRO C[C@H](NC(=[NH2+])NCC1CCC(C#N)CC1)C1CC1 ZINC000899271722 584191781 /nfs/dbraw/zinc/19/17/81/584191781.db2.gz LMODDCRPZWGFIW-UNXYVOJBSA-N 1 0 248.374 2.229 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC000899891078 584246186 /nfs/dbraw/zinc/24/61/86/584246186.db2.gz LICRVJDNLQNAET-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000899938162 584259067 /nfs/dbraw/zinc/25/90/67/584259067.db2.gz VTUYZPHQVSAEQL-WCQYABFASA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000899938163 584259274 /nfs/dbraw/zinc/25/92/74/584259274.db2.gz VTUYZPHQVSAEQL-YPMHNXCESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CCC(C)C ZINC000900077368 584270571 /nfs/dbraw/zinc/27/05/71/584270571.db2.gz ZKVACZDYYWJAAU-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)CCC ZINC000900416482 584306370 /nfs/dbraw/zinc/30/63/70/584306370.db2.gz FNANSXCRWDDGLX-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC1CCCC1 ZINC000900428992 584308436 /nfs/dbraw/zinc/30/84/36/584308436.db2.gz GGXGKBJHZXBDET-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC1(C(C)C)CC1 ZINC000900995558 584375108 /nfs/dbraw/zinc/37/51/08/584375108.db2.gz YEKUQQDRZNDWEW-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]1CC[C@@H](C=Nn2nnc3c2CCCC3)C1 ZINC000901331437 584425144 /nfs/dbraw/zinc/42/51/44/584425144.db2.gz 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/nfs/dbraw/zinc/43/09/95/584430995.db2.gz DXCGOMAFXOPWLI-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO CC1(C)CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)O1 ZINC000901682485 584480811 /nfs/dbraw/zinc/48/08/11/584480811.db2.gz DSRGPKSJCIYYIS-OLZOCXBDSA-N 1 0 249.358 2.367 20 30 BEEDRO C#CCCC[NH2+]Cc1ccccc1NC ZINC000902279954 584547234 /nfs/dbraw/zinc/54/72/34/584547234.db2.gz OYDFWZRSBWJMQB-UHFFFAOYSA-N 1 0 202.301 2.231 20 30 BEEDRO CC[C@H](NCC1([NH3+])CC1)c1ccc(C#N)cc1 ZINC000902404121 584589174 /nfs/dbraw/zinc/58/91/74/584589174.db2.gz CDQPNLDHMSMCEW-ZDUSSCGKSA-N 1 0 229.327 2.090 20 30 BEEDRO C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450811 584607041 /nfs/dbraw/zinc/60/70/41/584607041.db2.gz UMMJZCFMDCTYGV-BXUZGUMPSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@@H](CC)CC1=O ZINC000902668752 584654246 /nfs/dbraw/zinc/65/42/46/584654246.db2.gz GAFDAYSYDYVWGK-ZDUSSCGKSA-N 1 0 238.375 2.491 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@H](C)[C@@H](C)C1=O ZINC000902668725 584654258 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C[C@H](c1cccnc1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801935903 584675882 /nfs/dbraw/zinc/67/58/82/584675882.db2.gz MZLWXULUYSWKQQ-NWDGAFQWSA-N 1 0 233.315 2.003 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902822418 584676212 /nfs/dbraw/zinc/67/62/12/584676212.db2.gz WYZWSCJIDJKSPX-AAEUAGOBSA-N 1 0 247.342 2.011 20 30 BEEDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902827683 584676911 /nfs/dbraw/zinc/67/69/11/584676911.db2.gz MVSQZXGDHASMDK-FZMZJTMJSA-N 1 0 247.342 2.275 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1 ZINC000902812501 584677757 /nfs/dbraw/zinc/67/77/57/584677757.db2.gz UIHRHVKLVZCIAZ-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cc(C#N)ccn1 ZINC000902832809 584678675 /nfs/dbraw/zinc/67/86/75/584678675.db2.gz QHSNBHBYNGNILA-PWSUYJOCSA-N 1 0 247.367 2.499 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cc(C#N)ccn1 ZINC000902832807 584678947 /nfs/dbraw/zinc/67/89/47/584678947.db2.gz QHSNBHBYNGNILA-CMPLNLGQSA-N 1 0 247.367 2.499 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cc(C#N)ccn1 ZINC000902836522 584679299 /nfs/dbraw/zinc/67/92/99/584679299.db2.gz JMRQEFPXLYHTFB-CMPLNLGQSA-N 1 0 247.367 2.499 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902868018 584683226 /nfs/dbraw/zinc/68/32/26/584683226.db2.gz IMAUKZHEHPUMMD-GSZZWUTPSA-N 1 0 221.344 2.354 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902879029 584687803 /nfs/dbraw/zinc/68/78/03/584687803.db2.gz QUOIELPDGVXALT-VQJWOFKYSA-N 1 0 233.355 2.193 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCCOCC1)c1cc(C#N)ccn1 ZINC000902895810 584690655 /nfs/dbraw/zinc/69/06/55/584690655.db2.gz CLAJQUFQIHBOCV-WCQYABFASA-N 1 0 245.326 2.173 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCCOCC1)c1cc(C#N)ccn1 ZINC000902895808 584690885 /nfs/dbraw/zinc/69/08/85/584690885.db2.gz CLAJQUFQIHBOCV-AAEUAGOBSA-N 1 0 245.326 2.173 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902895130 584690923 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ZINC000903032188 584718425 /nfs/dbraw/zinc/71/84/25/584718425.db2.gz FUOFVXUUWSZWNX-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCOC1 ZINC000903035331 584719156 /nfs/dbraw/zinc/71/91/56/584719156.db2.gz NJWMINVWQHBHQR-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCC1 ZINC000903034892 584719163 /nfs/dbraw/zinc/71/91/63/584719163.db2.gz DTCIHNXOTCVQBB-ODXJTPSBSA-N 1 0 246.354 2.083 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903035995 584719715 /nfs/dbraw/zinc/71/97/15/584719715.db2.gz YUTSZDDDLMXZHN-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(C#N)ccn1 ZINC000903026094 584721169 /nfs/dbraw/zinc/72/11/69/584721169.db2.gz MCJRKJCHVNFQRR-NTZNESFSSA-N 1 0 240.310 2.296 20 30 BEEDRO C=CCn1cc(C[NH2+]C2C[C@@H]3CCC[C@H]3C2)nn1 ZINC000903026985 584721249 /nfs/dbraw/zinc/72/12/49/584721249.db2.gz YARGYQKKDKTGQT-RYUDHWBXSA-N 1 0 246.358 2.132 20 30 BEEDRO CC[C@H]([NH2+]C/C=C\CO)c1cccc(C#N)c1 ZINC000903048658 584723724 /nfs/dbraw/zinc/72/37/24/584723724.db2.gz QTMWMXODCYDGTQ-NQHOJNORSA-N 1 0 230.311 2.147 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000903070706 584726239 /nfs/dbraw/zinc/72/62/39/584726239.db2.gz DCFZTLVDNKKVMF-RTXFEEFZSA-N 1 0 245.326 2.029 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(C#N)c1 ZINC000903073229 584726351 /nfs/dbraw/zinc/72/63/51/584726351.db2.gz PDFPMHIVHFTMRU-VHDGCEQUSA-N 1 0 244.338 2.370 20 30 BEEDRO COC[C@@H]([NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000903106842 584728479 /nfs/dbraw/zinc/72/84/79/584728479.db2.gz WRMLZPDOHFJOAW-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(CCOC)s1 ZINC000631124071 584732636 /nfs/dbraw/zinc/73/26/36/584732636.db2.gz PVHDVFVSQBMMGP-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903218454 584737593 /nfs/dbraw/zinc/73/75/93/584737593.db2.gz LYROZVJQWSBMMT-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1C ZINC000903302057 584744519 /nfs/dbraw/zinc/74/45/19/584744519.db2.gz YFBJIZHPRFJJKC-CYDGBPFRSA-N 1 0 210.365 2.269 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2C)C1 ZINC000903301307 584744635 /nfs/dbraw/zinc/74/46/35/584744635.db2.gz QCIZJDQDKPMWEQ-YIYPIFLZSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903300943 584744962 /nfs/dbraw/zinc/74/49/62/584744962.db2.gz LFWLYZXQOHGNMF-FRRDWIJNSA-N 1 0 210.365 2.413 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C#N)c(F)c1 ZINC000903324482 584747340 /nfs/dbraw/zinc/74/73/40/584747340.db2.gz UVKSIODPTITYJA-GWCFXTLKSA-N 1 0 247.317 2.052 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)cn1)[C@@H]1CCCO1 ZINC000903350349 584754884 /nfs/dbraw/zinc/75/48/84/584754884.db2.gz AWCRYQTUJYDCTA-KGLIPLIRSA-N 1 0 249.358 2.024 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903332347 584755067 /nfs/dbraw/zinc/75/50/67/584755067.db2.gz RCWBBLPDEYHJNZ-WDEREUQCSA-N 1 0 247.342 2.417 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000903392960 584756310 /nfs/dbraw/zinc/75/63/10/584756310.db2.gz CGIUVNBANSUPOM-KMUNFCNLSA-N 1 0 242.322 2.170 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000903392962 584756315 /nfs/dbraw/zinc/75/63/15/584756315.db2.gz CGIUVNBANSUPOM-VCTAVGKDSA-N 1 0 242.322 2.170 20 30 BEEDRO C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccc(C#N)cc1 ZINC000903406570 584758769 /nfs/dbraw/zinc/75/87/69/584758769.db2.gz JOHGGRUNXYMPFU-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)C1CC1)C1CC1 ZINC000903406348 584758859 /nfs/dbraw/zinc/75/88/59/584758859.db2.gz HXJRQGHKYOYQAJ-UONOGXRCSA-N 1 0 223.360 2.482 20 30 BEEDRO C[C@@H]1CN(Cc2cc(Cl)cc(C#N)c2)CC[NH2+]1 ZINC000903423438 584764274 /nfs/dbraw/zinc/76/42/74/584764274.db2.gz VGHFQEKWVDDAHO-SNVBAGLBSA-N 1 0 249.745 2.005 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903424748 584764933 /nfs/dbraw/zinc/76/49/33/584764933.db2.gz DRTYBGPMTULKIJ-VXGQWTEUSA-N 1 0 249.402 2.376 20 30 BEEDRO CC(C)(C)[C@@H](CN)[NH2+]CC1CCC(C#N)CC1 ZINC000903454804 584773408 /nfs/dbraw/zinc/77/34/08/584773408.db2.gz JZLASXAQZGNAPH-WXRRBKDZSA-N 1 0 237.391 2.279 20 30 BEEDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)cc(C#N)c1 ZINC000903476880 584777117 /nfs/dbraw/zinc/77/71/17/584777117.db2.gz MTPYNVXVHXTENJ-RNCFNFMXSA-N 1 0 249.745 2.133 20 30 BEEDRO C[NH2+]CCN(CCc1ccc(C#N)cc1)C(C)C ZINC000903573956 584784246 /nfs/dbraw/zinc/78/42/46/584784246.db2.gz NXVLYEFEIWMZQL-UHFFFAOYSA-N 1 0 245.370 2.031 20 30 BEEDRO C=C(C)CCc1noc(C[C@H]2CC[N@@H+](C)C2)n1 ZINC000904069485 584840967 /nfs/dbraw/zinc/84/09/67/584840967.db2.gz MFDZWPRBZSFSKQ-LLVKDONJSA-N 1 0 235.331 2.073 20 30 BEEDRO C=CCC1([NH2+]Cc2ccc(N)nn2)CCCC1 ZINC000904378968 584876603 /nfs/dbraw/zinc/87/66/03/584876603.db2.gz OJILWGJSANUWHE-UHFFFAOYSA-N 1 0 232.331 2.037 20 30 BEEDRO CCOCCO[NH+]=C1CCCc2ccc(N)cc21 ZINC000814907424 584903938 /nfs/dbraw/zinc/90/39/38/584903938.db2.gz ITSQEXJSSWXYNG-UHFFFAOYSA-N 1 0 248.326 2.362 20 30 BEEDRO CC(=[NH+]NC1CCCCC1)c1ccc(N)nc1 ZINC000814910430 584910947 /nfs/dbraw/zinc/91/09/47/584910947.db2.gz WIQKUMZFJCQFDP-UHFFFAOYSA-N 1 0 232.331 2.310 20 30 BEEDRO COc1cccc(NNC=C2CC2(F)F)[nH+]1 ZINC000834973890 584916256 /nfs/dbraw/zinc/91/62/56/584916256.db2.gz PJINCPTXJDYECJ-ZETCQYMHSA-N 1 0 227.214 2.143 20 30 BEEDRO C#CCN[NH+]=Cc1ccc(N2CCCCC2)cc1 ZINC000835006886 584917910 /nfs/dbraw/zinc/91/79/10/584917910.db2.gz FUSJJINQUVZWBX-UHFFFAOYSA-N 1 0 241.338 2.234 20 30 BEEDRO C=C(Cl)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730893566 584919702 /nfs/dbraw/zinc/91/97/02/584919702.db2.gz XLFVILCOANSZQN-GFCCVEGCSA-N 1 0 228.767 2.299 20 30 BEEDRO CC(=[NH+]OC[C@H]1CCOC1)c1ccc(N)cc1 ZINC000788032497 584921731 /nfs/dbraw/zinc/92/17/31/584921731.db2.gz AYUYPXFXVYFMCC-NSHDSACASA-N 1 0 234.299 2.046 20 30 BEEDRO Cc1cc(N)cc(C)c1C=[NH+]OC[C@@H]1CCOC1 ZINC000788036378 584927738 /nfs/dbraw/zinc/92/77/38/584927738.db2.gz IMNXEEQYCJJKPP-GFCCVEGCSA-N 1 0 248.326 2.273 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000766895998 584944448 /nfs/dbraw/zinc/94/44/48/584944448.db2.gz UXOZCMJLRXDSSZ-LBPRGKRZSA-N 1 0 217.316 2.003 20 30 BEEDRO COC[C@@H](C)N[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884447090 584953201 /nfs/dbraw/zinc/95/32/01/584953201.db2.gz KZQXASAXZUBENP-LLVKDONJSA-N 1 0 249.358 2.234 20 30 BEEDRO CC(CCc1ccccc1F)=[NH+]n1cnnc1 ZINC000734091911 584957022 /nfs/dbraw/zinc/95/70/22/584957022.db2.gz DTLCNLZGMIIZTM-UHFFFAOYSA-N 1 0 232.262 2.274 20 30 BEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@H]1CC12CC2 ZINC000817721073 584988487 /nfs/dbraw/zinc/98/84/87/584988487.db2.gz CTJLETWKEHCRRO-CHWSQXEVSA-N 1 0 249.354 2.063 20 30 BEEDRO CCCO[NH+]=Cc1ccc2c(c1)CCN2C ZINC000842554933 585005982 /nfs/dbraw/zinc/00/59/82/585005982.db2.gz RYDYGLGQEXGCRR-UHFFFAOYSA-N 1 0 218.300 2.439 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890069424 585021688 /nfs/dbraw/zinc/02/16/88/585021688.db2.gz XIYOEIBNDDVENW-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886018988 585035621 /nfs/dbraw/zinc/03/56/21/585035621.db2.gz KJTNLEDZEWQBOP-FRRDWIJNSA-N 1 0 236.359 2.162 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCC)C1CCC1 ZINC000838313717 585051954 /nfs/dbraw/zinc/05/19/54/585051954.db2.gz GBMNJZQCHJXWNP-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000838279656 585053062 /nfs/dbraw/zinc/05/30/62/585053062.db2.gz LTTYSFDLFYALNS-UHFFFAOYSA-N 1 0 230.311 2.018 20 30 BEEDRO CC#CCCOC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000838463554 585058962 /nfs/dbraw/zinc/05/89/62/585058962.db2.gz DTLKASBOWATKGK-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CC(C)(C)C(=O)OCc1cccnc1N(C)C ZINC000838953264 585080741 /nfs/dbraw/zinc/08/07/41/585080741.db2.gz FIKNSQLINXIJRF-UHFFFAOYSA-N 1 0 248.326 2.403 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnn(CC)n1 ZINC000838986297 585084712 /nfs/dbraw/zinc/08/47/12/585084712.db2.gz RPYRCRKGKTYJRD-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO Cc1nn(C)c(C)c1CN(CCC#N)CC(C)C ZINC000739914931 585085515 /nfs/dbraw/zinc/08/55/15/585085515.db2.gz SYIBBKMHIYNGKH-UHFFFAOYSA-N 1 0 248.374 2.409 20 30 BEEDRO C#CCC[C@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000839040572 585087586 /nfs/dbraw/zinc/08/75/86/585087586.db2.gz ZTHGAHPSJGWAJM-LBPRGKRZSA-N 1 0 249.354 2.206 20 30 BEEDRO C#CCC[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000839070040 585089523 /nfs/dbraw/zinc/08/95/23/585089523.db2.gz IAHYQFSTJOFCDU-CYBMUJFWSA-N 1 0 223.360 2.177 20 30 BEEDRO C#C[C@@H]([NH2+]CC(C)(C)CC(=O)OCC)C(C)C ZINC000839088608 585090444 /nfs/dbraw/zinc/09/04/44/585090444.db2.gz TWPQXDNMUVDBNO-GFCCVEGCSA-N 1 0 239.359 2.213 20 30 BEEDRO CCCCCCC[NH2+][C@@H](CO)c1ccnn1C ZINC000839185907 585096734 /nfs/dbraw/zinc/09/67/34/585096734.db2.gz FFKRICJDZXOSMA-LBPRGKRZSA-N 1 0 239.363 2.014 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@@H](C)C(C)(C)C ZINC000839189005 585097120 /nfs/dbraw/zinc/09/71/20/585097120.db2.gz MQIBMTKSCGGFGM-VXGBXAGGSA-N 1 0 209.333 2.003 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](CCOC)c1ccccc1 ZINC000839501024 585105945 /nfs/dbraw/zinc/10/59/45/585105945.db2.gz TUPIIQFBBJHSSE-MRXNPFEDSA-N 1 0 241.334 2.333 20 30 BEEDRO C=C(C)COC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000741012979 585108999 /nfs/dbraw/zinc/10/89/99/585108999.db2.gz BMDZIFNJGKVRHG-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCOC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000741014818 585109160 /nfs/dbraw/zinc/10/91/60/585109160.db2.gz ZYBAQXVMRPFPLP-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCOC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741019583 585109202 /nfs/dbraw/zinc/10/92/02/585109202.db2.gz WHWDOXJPNJWMGI-GRYCIOLGSA-N 1 0 225.332 2.367 20 30 BEEDRO C=CCCOC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000741019585 585109220 /nfs/dbraw/zinc/10/92/20/585109220.db2.gz WHWDOXJPNJWMGI-SRVKXCTJSA-N 1 0 225.332 2.367 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]21 ZINC000741811031 585119954 /nfs/dbraw/zinc/11/99/54/585119954.db2.gz OQVSCDRUFSLBMH-SDDRHHMPSA-N 1 0 217.316 2.018 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000886364118 585134481 /nfs/dbraw/zinc/13/44/81/585134481.db2.gz PEENYMJONAAFPV-LSDHHAIUSA-N 1 0 235.371 2.273 20 30 BEEDRO CC(Cc1ccccc1C)=[NH+]n1cnnc1 ZINC000743418780 585136745 /nfs/dbraw/zinc/13/67/45/585136745.db2.gz JLAHTAYUVWSZGW-UHFFFAOYSA-N 1 0 214.272 2.053 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CCC(=O)OC(C)C ZINC000743851167 585140678 /nfs/dbraw/zinc/14/06/78/585140678.db2.gz MNNGCTZZWMAIML-UHFFFAOYSA-N 1 0 240.347 2.200 20 30 BEEDRO C#CC[N@H+](CC#CC)CCc1ccccc1 ZINC000744410252 585150084 /nfs/dbraw/zinc/15/00/84/585150084.db2.gz XRQBKOBEAXVAAB-UHFFFAOYSA-N 1 0 211.308 2.188 20 30 BEEDRO N#CC1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000747113029 585174942 /nfs/dbraw/zinc/17/49/42/585174942.db2.gz QKQMZXSWSRPWCY-SECBINFHSA-N 1 0 233.142 2.416 20 30 BEEDRO CCO[C@H]1CC(=[NH+]n2cnnc2)C1(CC)CC ZINC000748246416 585189612 /nfs/dbraw/zinc/18/96/12/585189612.db2.gz NXVCPIJXYIXWID-NSHDSACASA-N 1 0 236.319 2.097 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000748301804 585190480 /nfs/dbraw/zinc/19/04/80/585190480.db2.gz CGELMWAORKFJAT-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)[C@H](C)c1ccccc1 ZINC000809578644 585224184 /nfs/dbraw/zinc/22/41/84/585224184.db2.gz PAISTVICMZQUCL-OUCADQQQSA-N 1 0 232.327 2.043 20 30 BEEDRO Cc1cccc(N=NC2C[N@@H+](C)C[C@H]2C)c1 ZINC000752158429 585243049 /nfs/dbraw/zinc/24/30/49/585243049.db2.gz XQEPRSPPZCAYRS-LLVKDONJSA-N 1 0 217.316 2.344 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccccc1F ZINC000752161429 585243460 /nfs/dbraw/zinc/24/34/60/585243460.db2.gz SHYIRQRAKQBYMZ-VIFPVBQESA-N 1 0 221.279 2.175 20 30 BEEDRO C=CCCCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000753012895 585252302 /nfs/dbraw/zinc/25/23/02/585252302.db2.gz CBTVVJLFVFGGIC-UHFFFAOYSA-N 1 0 233.315 2.442 20 30 BEEDRO CC[C@H](C)N[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000790182251 585259085 /nfs/dbraw/zinc/25/90/85/585259085.db2.gz CNLDUMNTTFDSPA-NSHDSACASA-N 1 0 234.347 2.260 20 30 BEEDRO C#CCOCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000753759369 585268117 /nfs/dbraw/zinc/26/81/17/585268117.db2.gz DZYCBOOSEGFTCB-MRXNPFEDSA-N 1 0 243.350 2.247 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000753765870 585268418 /nfs/dbraw/zinc/26/84/18/585268418.db2.gz CZMBJCVUUROGBQ-CYBMUJFWSA-N 1 0 247.338 2.386 20 30 BEEDRO C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@H]1CC=CCC1 ZINC000753932923 585272308 /nfs/dbraw/zinc/27/23/08/585272308.db2.gz BNCHVUNSWPJCBW-RWMBFGLXSA-N 1 0 246.358 2.189 20 30 BEEDRO CC(C)C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)C1CC1 ZINC000753934714 585272440 /nfs/dbraw/zinc/27/24/40/585272440.db2.gz JWWNYFLTFFEAST-TXEJJXNPSA-N 1 0 248.374 2.268 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(C)cc1 ZINC000839532204 585307177 /nfs/dbraw/zinc/30/71/77/585307177.db2.gz RNEHEPSICDNFMA-UHFFFAOYSA-N 1 0 217.312 2.077 20 30 BEEDRO CC(C)[N@H+]1CC(=NO[C@H]2CCCCO2)[C@@H](C)C1 ZINC000755821132 585308192 /nfs/dbraw/zinc/30/81/92/585308192.db2.gz BLXMJUJTCWYJJQ-AAEUAGOBSA-N 1 0 240.347 2.246 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCOC(C)(C)C ZINC000756880046 585324713 /nfs/dbraw/zinc/32/47/13/585324713.db2.gz FCLRACYDDNTDPD-UHFFFAOYSA-N 1 0 221.344 2.150 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000839552134 585329674 /nfs/dbraw/zinc/32/96/74/585329674.db2.gz OXKHCIDBSQEROU-UWVGGRQHSA-N 1 0 203.713 2.286 20 30 BEEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCC#N)C1(C)C ZINC000839618852 585332318 /nfs/dbraw/zinc/33/23/18/585332318.db2.gz KHMYTVFZKGCYNU-QWRGUYRKSA-N 1 0 224.348 2.472 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000839609904 585333240 /nfs/dbraw/zinc/33/32/40/585333240.db2.gz TYTABEASXBQSLF-SNVBAGLBSA-N 1 0 217.740 2.126 20 30 BEEDRO CCCCCCC[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000839648739 585333354 /nfs/dbraw/zinc/33/33/54/585333354.db2.gz DFGBJDJQYTWGMW-ZIAGYGMSSA-N 1 0 243.391 2.334 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000839670868 585336485 /nfs/dbraw/zinc/33/64/85/585336485.db2.gz IQLQLXORLSUUNQ-QWHCGFSZSA-N 1 0 229.364 2.038 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000839678957 585337287 /nfs/dbraw/zinc/33/72/87/585337287.db2.gz BHPMEONNYQHOTN-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cccc(C)c1 ZINC000760818556 585397700 /nfs/dbraw/zinc/39/77/00/585397700.db2.gz GPRGTLWYCWVQID-UHFFFAOYSA-N 1 0 231.339 2.467 20 30 BEEDRO C#CCC[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000760830191 585398116 /nfs/dbraw/zinc/39/81/16/585398116.db2.gz KZFDIBTVMOCUGM-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CCC#N)CC(C)C ZINC000760857630 585399976 /nfs/dbraw/zinc/39/99/76/585399976.db2.gz ZBWMLCHUYQWMBD-ZDUSSCGKSA-N 1 0 224.348 2.185 20 30 BEEDRO CCCCCC[NH+]1CCN(CCC#N)CC1 ZINC000760942715 585402172 /nfs/dbraw/zinc/40/21/72/585402172.db2.gz CPMCBEFREYVRTF-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO C=CCCCCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000805218506 585403609 /nfs/dbraw/zinc/40/36/09/585403609.db2.gz BQFRLDNFLVPWPF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761080518 585406717 /nfs/dbraw/zinc/40/67/17/585406717.db2.gz WQYZHKBGPCCHRP-QWHCGFSZSA-N 1 0 243.354 2.255 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1ccccc1F ZINC000761109011 585409919 /nfs/dbraw/zinc/40/99/19/585409919.db2.gz MYELESICKHZCJI-LBPRGKRZSA-N 1 0 235.302 2.468 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(F)cc2F)C[N@@H+]1C ZINC000761795369 585418567 /nfs/dbraw/zinc/41/85/67/585418567.db2.gz ZJHCVEPRGSRPCM-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000762925980 585439633 /nfs/dbraw/zinc/43/96/33/585439633.db2.gz LSHKXAOABFVEIC-UHFFFAOYSA-N 1 0 235.302 2.300 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(C)c1C ZINC000763895988 585456684 /nfs/dbraw/zinc/45/66/84/585456684.db2.gz NXXWGNNLSKUSRJ-UHFFFAOYSA-N 1 0 232.327 2.360 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000763921512 585457211 /nfs/dbraw/zinc/45/72/11/585457211.db2.gz UUDMLWNWTDDOMR-CYZMBNFOSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](CCOc1cccc(C)c1)C1CC1 ZINC000763955212 585457706 /nfs/dbraw/zinc/45/77/06/585457706.db2.gz JTPNONDYFMUUJR-UHFFFAOYSA-N 1 0 229.323 2.471 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1c2ccccc2C[C@H]1C ZINC000764070784 585459199 /nfs/dbraw/zinc/45/91/99/585459199.db2.gz PZCSYRWHNJFMFA-GFCCVEGCSA-N 1 0 244.338 2.082 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1CC ZINC000764068984 585459229 /nfs/dbraw/zinc/45/92/29/585459229.db2.gz BKGOKGZXJUHGEL-UHFFFAOYSA-N 1 0 232.327 2.305 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCCCC ZINC000764151069 585460981 /nfs/dbraw/zinc/46/09/81/585460981.db2.gz MPZWIGJEGASVHD-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)CC(CC)CC ZINC000764279462 585463362 /nfs/dbraw/zinc/46/33/62/585463362.db2.gz RNOXANHUFRHZCA-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C(C[C@H]1CCOC1)=[NH+]n1cnc2ccccc21 ZINC000765564112 585489713 /nfs/dbraw/zinc/48/97/13/585489713.db2.gz MZFIKJDUTMSZFO-NSHDSACASA-N 1 0 229.283 2.297 20 30 BEEDRO Fc1cccc(N=NC2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000765570514 585489843 /nfs/dbraw/zinc/48/98/43/585489843.db2.gz CFSZFJJBMIGRMT-ZDUSSCGKSA-N 1 0 233.290 2.462 20 30 BEEDRO Cc1cccc(CNN=C2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000765585268 585490440 /nfs/dbraw/zinc/49/04/40/585490440.db2.gz YOYXNMVTKJMVCE-HNNXBMFYSA-N 1 0 243.354 2.309 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000766665419 585504699 /nfs/dbraw/zinc/50/46/99/585504699.db2.gz FUCUMVQDHLJNEM-GFCCVEGCSA-N 1 0 217.312 2.463 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000766664000 585504779 /nfs/dbraw/zinc/50/47/79/585504779.db2.gz PWXFALIIYGVSGH-LLVKDONJSA-N 1 0 233.311 2.163 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]1CN1CCCCC1 ZINC000766895499 585509546 /nfs/dbraw/zinc/50/95/46/585509546.db2.gz KQHRTPYSFRYPDE-OAHLLOKOSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000766904085 585510798 /nfs/dbraw/zinc/51/07/98/585510798.db2.gz WDRKOCBLDSHMAD-HNNXBMFYSA-N 1 0 234.387 2.208 20 30 BEEDRO C#CCCC[NH+]1CCC(CCC(=O)OC)CC1 ZINC000766907177 585511261 /nfs/dbraw/zinc/51/12/61/585511261.db2.gz WLURMIIPXBNFIS-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000766905298 585511284 /nfs/dbraw/zinc/51/12/84/585511284.db2.gz JMYFJESXMRJPDA-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCCC[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000766924344 585511797 /nfs/dbraw/zinc/51/17/97/585511797.db2.gz SOTPHKMGDQCTKX-UHFFFAOYSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000766935962 585512143 /nfs/dbraw/zinc/51/21/43/585512143.db2.gz CVPVMQNFCOVQSF-UHFFFAOYSA-N 1 0 244.294 2.366 20 30 BEEDRO Cc1cc(C[NH2+][C@H](CCO)C2CC2)ccc1C#N ZINC000767692018 585524773 /nfs/dbraw/zinc/52/47/73/585524773.db2.gz RZRJBWIDZHTHOY-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO CCOC(CN(C[C@H](C)C#N)C1CC1)OCC ZINC000767809894 585526203 /nfs/dbraw/zinc/52/62/03/585526203.db2.gz AKJUAKOBWBMGQY-LLVKDONJSA-N 1 0 240.347 2.010 20 30 BEEDRO C=CC[N@@H+](Cc1ccnn1CC)C(C)C ZINC000768547827 585540130 /nfs/dbraw/zinc/54/01/30/585540130.db2.gz QVBCSLKALOMKHL-UHFFFAOYSA-N 1 0 207.321 2.299 20 30 BEEDRO C=CC[C@@H]([NH2+]C1CC(OC)C1)c1ccncc1 ZINC000769518610 585558443 /nfs/dbraw/zinc/55/84/43/585558443.db2.gz HWRXLIGMYSLSGE-JXQTWKCFSA-N 1 0 232.327 2.466 20 30 BEEDRO COC[C@@H](C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000769534184 585558911 /nfs/dbraw/zinc/55/89/11/585558911.db2.gz SPCYTWHUYIUIGQ-JTQLQIEISA-N 1 0 238.356 2.334 20 30 BEEDRO CC[C@H]1C[C@@H](C)CCC1=[NH+]n1cnnc1 ZINC000769568383 585559828 /nfs/dbraw/zinc/55/98/28/585559828.db2.gz YXFXVHZMGPNQQJ-UWVGGRQHSA-N 1 0 206.293 2.328 20 30 BEEDRO C=CC[N@@H+](CCO[C@H]1CCCCO1)C(C)C ZINC000769711769 585562294 /nfs/dbraw/zinc/56/22/94/585562294.db2.gz XVOYHNUPRSNKJJ-ZDUSSCGKSA-N 1 0 227.348 2.426 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(O)c1 ZINC000769940752 585566827 /nfs/dbraw/zinc/56/68/27/585566827.db2.gz BGVPJNFHFATHMO-JQWIXIFHSA-N 1 0 246.310 2.183 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCN1CCCc2ccccc21 ZINC000769978079 585568263 /nfs/dbraw/zinc/56/82/63/585568263.db2.gz OZAIQNVUIWTDFI-CQSZACIVSA-N 1 0 242.366 2.393 20 30 BEEDRO C=CCCC(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000770727461 585580617 /nfs/dbraw/zinc/58/06/17/585580617.db2.gz GMUTXEKOJRHTDQ-ZDUSSCGKSA-N 1 0 237.343 2.230 20 30 BEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)/C=C/C1CC1 ZINC000770803414 585581899 /nfs/dbraw/zinc/58/18/99/585581899.db2.gz KSSLZSXXKCIRQF-OCHBPSSRSA-N 1 0 249.354 2.230 20 30 BEEDRO OC[C@H]([NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000771810451 585600868 /nfs/dbraw/zinc/60/08/68/585600868.db2.gz ZYEOKIUOXLMDID-AWEZNQCLSA-N 1 0 249.741 2.052 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000771860405 585602940 /nfs/dbraw/zinc/60/29/40/585602940.db2.gz YBIWZRPCNZCDPT-HIFRSBDPSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CCCCCC(=O)OCC[NH+](CC)CC ZINC000772238947 585610788 /nfs/dbraw/zinc/61/07/88/585610788.db2.gz MSSRSGHFXHICDO-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C(C[NH+]1CCCCC1)NN=C1CC2(CCC2)C1 ZINC000772839749 585625244 /nfs/dbraw/zinc/62/52/44/585625244.db2.gz GMFSCPRTMRNJCH-UHFFFAOYSA-N 1 0 235.375 2.382 20 30 BEEDRO C#CC[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccccc1 ZINC000773108395 585631597 /nfs/dbraw/zinc/63/15/97/585631597.db2.gz XQBBIIJGFULZTK-KBMXLJTQSA-N 1 0 242.366 2.291 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000774212450 585654031 /nfs/dbraw/zinc/65/40/31/585654031.db2.gz XHBCKEHRWNOTEI-MCIONIFRSA-N 1 0 235.375 2.143 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)nc1 ZINC000774369131 585657030 /nfs/dbraw/zinc/65/70/30/585657030.db2.gz KXDNSTCJZCNIIP-WCQYABFASA-N 1 0 240.310 2.125 20 30 BEEDRO CC(=[NH+]OC1CCOCC1)c1ccc(N)cc1C ZINC000774435301 585658851 /nfs/dbraw/zinc/65/88/51/585658851.db2.gz TVBLNIKVGOMEBD-UHFFFAOYSA-N 1 0 248.326 2.497 20 30 BEEDRO C1CCC(ON=C2CC[N@@H+]3CCC[C@H]23)C1 ZINC000774596337 585661626 /nfs/dbraw/zinc/66/16/26/585661626.db2.gz CTGUKXWWHVBKDD-GFCCVEGCSA-N 1 0 208.305 2.170 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000775184253 585672967 /nfs/dbraw/zinc/67/29/67/585672967.db2.gz NUPAVAGESOPVFD-LLVKDONJSA-N 1 0 203.285 2.154 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775348731 585676608 /nfs/dbraw/zinc/67/66/08/585676608.db2.gz FNEOSVABLYBYEX-JTQLQIEISA-N 1 0 230.311 2.042 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1cnccc1C)[C@@H]1CCCO1 ZINC000775571240 585680369 /nfs/dbraw/zinc/68/03/69/585680369.db2.gz DCUZLHQONGMJFQ-QEJZJMRPSA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1cncc(C)c1)[C@H]1CCCO1 ZINC000775573684 585680716 /nfs/dbraw/zinc/68/07/16/585680716.db2.gz JBHBCQPGUQKQFS-VHDGCEQUSA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC(F)(F)F)[C@H]1CCCO1 ZINC000775572792 585680845 /nfs/dbraw/zinc/68/08/45/585680845.db2.gz CZCYRSSUKLJQOA-GARJFASQSA-N 1 0 249.276 2.488 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1C)[C@@H]1CCCO1 ZINC000775794276 585685257 /nfs/dbraw/zinc/68/52/57/585685257.db2.gz ZFMIRGXRLSHTEO-GJZGRUSLSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@@H]1CCCO1 ZINC000775806697 585685707 /nfs/dbraw/zinc/68/57/07/585685707.db2.gz NDSUWGFYCUZEBH-CABCVRRESA-N 1 0 247.313 2.427 20 30 BEEDRO C#C[C@H]([NH2+]CCc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775800473 585685711 /nfs/dbraw/zinc/68/57/11/585685711.db2.gz SGIGFYZDIMQVJI-JKSUJKDBSA-N 1 0 243.350 2.308 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H](C)Cc1ccccc1 ZINC000775921451 585687819 /nfs/dbraw/zinc/68/78/19/585687819.db2.gz HWTOFHHASIUADE-OAHLLOKOSA-N 1 0 225.335 2.434 20 30 BEEDRO C#CCCN1CC[NH+]([C@@H](C)CCCC=C)CC1 ZINC000776595087 585702236 /nfs/dbraw/zinc/70/22/36/585702236.db2.gz BTUBAPGVEJITJG-HNNXBMFYSA-N 1 0 234.387 2.372 20 30 BEEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCC(C)(C)C#N ZINC000776592159 585702284 /nfs/dbraw/zinc/70/22/84/585702284.db2.gz UBAGFYKVRDGLEL-ZDUSSCGKSA-N 1 0 240.347 2.248 20 30 BEEDRO FC(F)(F)CCON=C1C[NH+]2CCC1CC2 ZINC000777459616 585713097 /nfs/dbraw/zinc/71/30/97/585713097.db2.gz KBYQNEVRBPSYMK-UHFFFAOYSA-N 1 0 236.237 2.037 20 30 BEEDRO C#C[C@H](OC(=O)[C@H](CC)[NH+](CC)CC)C1CC1 ZINC000778691810 585739519 /nfs/dbraw/zinc/73/95/19/585739519.db2.gz DWNIYQXNSFMLNV-STQMWFEESA-N 1 0 237.343 2.062 20 30 BEEDRO C=CCN(CCc1ccco1)CC[NH+]1CCCC1 ZINC000778996286 585743963 /nfs/dbraw/zinc/74/39/63/585743963.db2.gz LGQRZOUXTWKBRT-UHFFFAOYSA-N 1 0 248.370 2.406 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000779397947 585753431 /nfs/dbraw/zinc/75/34/31/585753431.db2.gz CQAPUEHSQHHRRX-GFCCVEGCSA-N 1 0 237.343 2.111 20 30 BEEDRO CC(=NNc1ccncc1)c1ccc(C#N)s1 ZINC000779811696 585766517 /nfs/dbraw/zinc/76/65/17/585766517.db2.gz QYSKILWWARCURO-UHFFFAOYSA-N 1 0 242.307 2.273 20 30 BEEDRO C#CCCCCCC(=O)N[C@H](C)CC[NH+](C)C ZINC000780586580 585782079 /nfs/dbraw/zinc/78/20/79/585782079.db2.gz MWQHWYJRVWIMPR-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C[N@@H+]1CCCC(N=Nc2ccnc(F)c2)CC1 ZINC000781128314 585790949 /nfs/dbraw/zinc/79/09/49/585790949.db2.gz UQOKLKIDPRZLBS-UHFFFAOYSA-N 1 0 236.294 2.104 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C#N)cc1F ZINC000781423027 585795982 /nfs/dbraw/zinc/79/59/82/585795982.db2.gz OQMNABVFNABYSD-PWSUYJOCSA-N 1 0 247.317 2.052 20 30 BEEDRO C#CCCC[NH2+]Cc1c(C)cc(OC)nc1C ZINC000781632026 585801005 /nfs/dbraw/zinc/80/10/05/585801005.db2.gz PDLKQHGZUUCSPM-UHFFFAOYSA-N 1 0 232.327 2.210 20 30 BEEDRO CC1(C)CCC[C@H]1NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000782289973 585814077 /nfs/dbraw/zinc/81/40/77/585814077.db2.gz YMHFBHICDMJQPI-QWHCGFSZSA-N 1 0 235.375 2.379 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299429 585833267 /nfs/dbraw/zinc/83/32/67/585833267.db2.gz CCLLMEBDCFTGAT-AWEZNQCLSA-N 1 0 247.342 2.248 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2Cc3ccccc3C2)nc1 ZINC000783294785 585833501 /nfs/dbraw/zinc/83/35/01/585833501.db2.gz VYSQPMYKNBWAMG-UHFFFAOYSA-N 1 0 249.317 2.210 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000783525152 585836203 /nfs/dbraw/zinc/83/62/03/585836203.db2.gz GPIWGFRHJCKIPD-RYUDHWBXSA-N 1 0 235.327 2.227 20 30 BEEDRO C=CCC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000784401470 585858741 /nfs/dbraw/zinc/85/87/41/585858741.db2.gz ZUBVZPBIGMPDSM-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=C(Cl)C[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000784555723 585863470 /nfs/dbraw/zinc/86/34/70/585863470.db2.gz UDKRODAMGLUGMD-UHFFFAOYSA-N 1 0 244.766 2.118 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000785695290 585878654 /nfs/dbraw/zinc/87/86/54/585878654.db2.gz XQDDLJQSEBABSM-CYBMUJFWSA-N 1 0 243.322 2.320 20 30 BEEDRO C=C(CC)COC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000785735284 585879560 /nfs/dbraw/zinc/87/95/60/585879560.db2.gz URJAYIFHIFZPPI-TXEJJXNPSA-N 1 0 225.332 2.369 20 30 BEEDRO Cc1cc(C[N@H+]2CCOCC[C@@H]2C)ccc1C#N ZINC000785785473 585881042 /nfs/dbraw/zinc/88/10/42/585881042.db2.gz JNUKUBCXVBRZAI-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCC1OCCCO1 ZINC000785998052 585885032 /nfs/dbraw/zinc/88/50/32/585885032.db2.gz VWLWRUZLUWZUND-LBPRGKRZSA-N 1 0 225.332 2.180 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CC(OCC)OCC ZINC000785997380 585885180 /nfs/dbraw/zinc/88/51/80/585885180.db2.gz MICJINQWPQSUBM-LBPRGKRZSA-N 1 0 227.348 2.426 20 30 BEEDRO C=CCC[N@@H+](C)CN1C[C@H](CCC)CC1=O ZINC000786101449 585887337 /nfs/dbraw/zinc/88/73/37/585887337.db2.gz GCMNWZFZTUGDEB-GFCCVEGCSA-N 1 0 224.348 2.100 20 30 BEEDRO C=CCC[N@@H+](C)Cn1cnc(-c2ccccc2)n1 ZINC000786102618 585887390 /nfs/dbraw/zinc/88/73/90/585887390.db2.gz QNQRCRVDICUKHI-UHFFFAOYSA-N 1 0 242.326 2.411 20 30 BEEDRO CC[C@@H](CC#N)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000787085593 585900801 /nfs/dbraw/zinc/90/08/01/585900801.db2.gz DFBUXLUDILQFBW-RYUDHWBXSA-N 1 0 240.347 2.342 20 30 BEEDRO CC[C@H](CC#N)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000787085591 585900812 /nfs/dbraw/zinc/90/08/12/585900812.db2.gz DFBUXLUDILQFBW-NEPJUHHUSA-N 1 0 240.347 2.342 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)c2ccco2)cc1 ZINC000787772752 585915684 /nfs/dbraw/zinc/91/56/84/585915684.db2.gz MUERLYZNNWECEH-AWEZNQCLSA-N 1 0 241.290 2.084 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000787775290 585915759 /nfs/dbraw/zinc/91/57/59/585915759.db2.gz OBESZLMBPATKPF-DGCLKSJQSA-N 1 0 236.315 2.017 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@](C)(O)c1ccco1 ZINC000787775836 585915782 /nfs/dbraw/zinc/91/57/82/585915782.db2.gz OBESZLMBPATKPF-WCQYABFASA-N 1 0 236.315 2.017 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NOC2CCOCC2)C1 ZINC000788440202 585923644 /nfs/dbraw/zinc/92/36/44/585923644.db2.gz FCDPRTZYJWELKY-GFCCVEGCSA-N 1 0 240.347 2.042 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000788775684 585930060 /nfs/dbraw/zinc/93/00/60/585930060.db2.gz JKGPYLORUDHPOA-LBPRGKRZSA-N 1 0 227.311 2.398 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)cc1 ZINC000788852154 585931240 /nfs/dbraw/zinc/93/12/40/585931240.db2.gz DZEIWPUYCMZVAE-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#CCCC[NH2+]C1(CC(=O)OCC)CCCC1 ZINC000789388125 585941913 /nfs/dbraw/zinc/94/19/13/585941913.db2.gz OHPKVTMNIHAKLP-UHFFFAOYSA-N 1 0 237.343 2.255 20 30 BEEDRO C#CCC[N@H+]1CCN(c2ccccc2F)C[C@@H]1C ZINC000789498028 585943571 /nfs/dbraw/zinc/94/35/71/585943571.db2.gz WFSKJOYYGXVRPX-ZDUSSCGKSA-N 1 0 246.329 2.360 20 30 BEEDRO C#CC[NH+]1CCC(Nc2ccc(Cl)cn2)CC1 ZINC000789558478 585943956 /nfs/dbraw/zinc/94/39/56/585943956.db2.gz QYEFLRCCFMTXGN-UHFFFAOYSA-N 1 0 249.745 2.245 20 30 BEEDRO CCN(C)c1ccc(C=[NH+]NCC(C)C)cn1 ZINC000790171003 585959178 /nfs/dbraw/zinc/95/91/78/585959178.db2.gz VJNVGLBEMMYEHV-UHFFFAOYSA-N 1 0 234.347 2.117 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccncc1C ZINC000859279991 589026968 /nfs/dbraw/zinc/02/69/68/589026968.db2.gz GYJMTKFFBXBEEU-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000791568659 585984530 /nfs/dbraw/zinc/98/45/30/585984530.db2.gz XKYURBWDEPUGLQ-UHIISALHSA-N 1 0 230.311 2.074 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000791580210 585984942 /nfs/dbraw/zinc/98/49/42/585984942.db2.gz XUFYSQPCKMBRCZ-DTWKUNHWSA-N 1 0 205.223 2.282 20 30 BEEDRO C#CC[N@@H+](C)CCc1ccc(CC)cc1 ZINC000792301708 585999379 /nfs/dbraw/zinc/99/93/79/585999379.db2.gz JLUXNJPXCYBYBB-UHFFFAOYSA-N 1 0 201.313 2.357 20 30 BEEDRO C#CCC[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000792374511 586000183 /nfs/dbraw/zinc/00/01/83/586000183.db2.gz CHYPATNGNMBIPV-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CC=CCC1 ZINC000792482031 586000981 /nfs/dbraw/zinc/00/09/81/586000981.db2.gz MXMMOSBZMYHGDI-CQSZACIVSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CCCC[N@H+]1CCCCC[C@H]1CCO ZINC000792925728 586007110 /nfs/dbraw/zinc/00/71/10/586007110.db2.gz KPNVKPHCKNZORK-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCSCC[NH2+]CCCc1ccc(C)nc1 ZINC000792994028 586008077 /nfs/dbraw/zinc/00/80/77/586008077.db2.gz ZYNSPOCEOQLRDV-UHFFFAOYSA-N 1 0 248.395 2.279 20 30 BEEDRO COc1ccc(C[NH2+]CC2(F)CC2)cc1C#N ZINC000793028239 586008678 /nfs/dbraw/zinc/00/86/78/586008678.db2.gz JTRCGVGVTJWRAJ-UHFFFAOYSA-N 1 0 234.274 2.159 20 30 BEEDRO CC[C@H](C)CON=C1CC[N@@H+]2CCC[C@H]12 ZINC000793144903 586011517 /nfs/dbraw/zinc/01/15/17/586011517.db2.gz GGLGIZNZDOUVAM-CMPLNLGQSA-N 1 0 210.321 2.273 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cn(C)nn1 ZINC000793556781 586022933 /nfs/dbraw/zinc/02/29/33/586022933.db2.gz ZAMOPEDWQXYNST-LBPRGKRZSA-N 1 0 236.363 2.430 20 30 BEEDRO FC1(C=[NH+]n2cnc3ccccc32)CC1 ZINC000794487760 586040600 /nfs/dbraw/zinc/04/06/00/586040600.db2.gz CAZCZLIYWPRTOI-UHFFFAOYSA-N 1 0 203.220 2.372 20 30 BEEDRO CC(C)[C@@H]1CCCC(=NNC2=[NH+][C@H](C)CN2)C1 ZINC000794531204 586042388 /nfs/dbraw/zinc/04/23/88/586042388.db2.gz SDRZYEAFHHEMTD-GHMZBOCLSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(OCC)cn1 ZINC000794578707 586044942 /nfs/dbraw/zinc/04/49/42/586044942.db2.gz ISPJWNKZAVHLIN-UHFFFAOYSA-N 1 0 232.327 2.324 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCC(=O)OCCCC ZINC000794578953 586045012 /nfs/dbraw/zinc/04/50/12/586045012.db2.gz OBMDBIHZNLSWTL-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCC[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794609741 586045406 /nfs/dbraw/zinc/04/54/06/586045406.db2.gz FRTGPIZEFGXLOQ-LSDHHAIUSA-N 1 0 231.339 2.358 20 30 BEEDRO C=CCN[NH+]=Cc1ccc(N(CC)CC)cc1O ZINC000794999005 586063418 /nfs/dbraw/zinc/06/34/18/586063418.db2.gz RQGYYMBRLCBKDJ-UHFFFAOYSA-N 1 0 247.342 2.348 20 30 BEEDRO C#CCCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000795289279 586074613 /nfs/dbraw/zinc/07/46/13/586074613.db2.gz NGXLUNKXGIUCPO-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795990037 586095613 /nfs/dbraw/zinc/09/56/13/586095613.db2.gz IWXBHBBPIUWILE-UHFFFAOYSA-N 1 0 239.359 2.476 20 30 BEEDRO CCCCCCC[N@H+](C)[C@H](C)C(=O)OC ZINC000796497337 586105150 /nfs/dbraw/zinc/10/51/50/586105150.db2.gz WRBHYUATMBODSG-LLVKDONJSA-N 1 0 215.337 2.450 20 30 BEEDRO CC[C@H]1CC[C@@H](C)CC1=[NH+]n1cnnc1 ZINC000797399015 586126329 /nfs/dbraw/zinc/12/63/29/586126329.db2.gz YDYDONMAOVTMHD-ZJUUUORDSA-N 1 0 206.293 2.328 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H]1CCC=CO1 ZINC000798086832 586136651 /nfs/dbraw/zinc/13/66/51/586136651.db2.gz VNOGRSNUJVGDDA-MCIONIFRSA-N 1 0 237.343 2.250 20 30 BEEDRO C#CCCCCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798850221 586151500 /nfs/dbraw/zinc/15/15/00/586151500.db2.gz LUROTUYIMCXIBX-CYBMUJFWSA-N 1 0 239.359 2.309 20 30 BEEDRO C#CCC(C)(C)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798850118 586151502 /nfs/dbraw/zinc/15/15/02/586151502.db2.gz KRWHONOOOSWSKJ-LBPRGKRZSA-N 1 0 239.359 2.165 20 30 BEEDRO COc1ccccc1CON=C1C[N@H+](C)C[C@H]1C ZINC000799118577 586159259 /nfs/dbraw/zinc/15/92/59/586159259.db2.gz LYUIRHHDRFHJSY-LLVKDONJSA-N 1 0 248.326 2.149 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](OCC)C1CC1 ZINC000859318441 589031265 /nfs/dbraw/zinc/03/12/65/589031265.db2.gz ATQGOLZULUSHMY-OLZOCXBDSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)CCCCCC)C1=O ZINC000799177876 586165613 /nfs/dbraw/zinc/16/56/13/586165613.db2.gz WRWCOYCEIDNVEO-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194626 586166194 /nfs/dbraw/zinc/16/61/94/586166194.db2.gz HXMZBEZEJONNFZ-CYBMUJFWSA-N 1 0 214.312 2.284 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)c1ccc(F)cn1 ZINC000799304456 586170443 /nfs/dbraw/zinc/17/04/43/586170443.db2.gz XYFJKFONVJNZHN-ZDUSSCGKSA-N 1 0 238.306 2.152 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000799716186 586194177 /nfs/dbraw/zinc/19/41/77/586194177.db2.gz MOBVGYJJCDYSAM-KWCYVHTRSA-N 1 0 230.311 2.002 20 30 BEEDRO Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000799720487 586194367 /nfs/dbraw/zinc/19/43/67/586194367.db2.gz PMPDFGAMRKHCRF-BPLDGKMQSA-N 1 0 244.338 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000799716820 586194369 /nfs/dbraw/zinc/19/43/69/586194369.db2.gz YRYNRWHVTVPLDE-DDTOSNHZSA-N 1 0 248.301 2.141 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000859415043 589035700 /nfs/dbraw/zinc/03/57/00/589035700.db2.gz NYEBBVKTOFEBQO-GMTAPVOTSA-N 1 0 246.301 2.138 20 30 BEEDRO Cc1nc(C(C)N=Nc2ccnc(F)c2)cn1C ZINC000800815974 586232415 /nfs/dbraw/zinc/23/24/15/586232415.db2.gz WAVLJGWHPYHZDR-UHFFFAOYSA-N 1 0 247.277 2.099 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@@H]1CCCO1 ZINC000800982362 586238910 /nfs/dbraw/zinc/23/89/10/586238910.db2.gz HVRMXAATUKNWJZ-XQLPTFJDSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CC[C@H]1CCN(Cc2ncc(Cl)n2C)C1 ZINC000859443389 589036888 /nfs/dbraw/zinc/03/68/88/589036888.db2.gz GBLXPYCUPPQSOO-JTQLQIEISA-N 1 0 239.750 2.472 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C(C1CC1)C1CC1 ZINC000801914338 586276869 /nfs/dbraw/zinc/27/68/69/586276869.db2.gz CLKXBXQLDBMWJZ-JTQLQIEISA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000801922827 586277347 /nfs/dbraw/zinc/27/73/47/586277347.db2.gz PVHBJNFCPPZQED-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO CCSCC[C@@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000801934855 586278251 /nfs/dbraw/zinc/27/82/51/586278251.db2.gz RZMDEJZIVKTEQG-VXGBXAGGSA-N 1 0 244.404 2.379 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000801936218 586279277 /nfs/dbraw/zinc/27/92/77/586279277.db2.gz QTLIEKXETJDGQI-NEPJUHHUSA-N 1 0 233.315 2.003 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000801936240 586279337 /nfs/dbraw/zinc/27/93/37/586279337.db2.gz KXFYIFOYYCRBGA-TZMCWYRMSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000801938362 586280092 /nfs/dbraw/zinc/28/00/92/586280092.db2.gz FSVWXOKVMCQJDA-NEPJUHHUSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000801940048 586280591 /nfs/dbraw/zinc/28/05/91/586280591.db2.gz XTJRVQRSKFNQCH-DGAVXFQQSA-N 1 0 236.359 2.426 20 30 BEEDRO Cc1ccc2c(c1)CC[N@@H+](CCO[C@H](C)C#N)C2 ZINC000801948805 586282855 /nfs/dbraw/zinc/28/28/55/586282855.db2.gz GGMWSHKYGLAAFX-CYBMUJFWSA-N 1 0 244.338 2.282 20 30 BEEDRO CC[NH+](CC)CCCOC(=O)[C@](C)(C#N)CC ZINC000803785820 586375289 /nfs/dbraw/zinc/37/52/89/586375289.db2.gz UIQYNUOYHYMCTP-ZDUSSCGKSA-N 1 0 240.347 2.201 20 30 BEEDRO Cc1ccc(C#N)c(NCC[N@H+]2CCC[C@@H]2C)n1 ZINC000804520604 586398075 /nfs/dbraw/zinc/39/80/75/586398075.db2.gz GHCFKKYQQAUBMX-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000808159539 586465318 /nfs/dbraw/zinc/46/53/18/586465318.db2.gz IQCBCRIMBYHBGZ-AWEZNQCLSA-N 1 0 238.375 2.491 20 30 BEEDRO C(CON=C1CCC1)C[NH+]1CCCCC1 ZINC000808258073 586468614 /nfs/dbraw/zinc/46/86/14/586468614.db2.gz VMVRLZMPCXIXEI-UHFFFAOYSA-N 1 0 210.321 2.419 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000808749735 586487231 /nfs/dbraw/zinc/48/72/31/586487231.db2.gz CPKNRFWFRJKKDQ-UONOGXRCSA-N 1 0 243.391 2.022 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776054 586489912 /nfs/dbraw/zinc/48/99/12/586489912.db2.gz AVNGSFUEPUEGRR-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CC[N@@H+]1Cc2ccccc2OC(C)(C)C1 ZINC000808791353 586490468 /nfs/dbraw/zinc/49/04/68/586490468.db2.gz STLKTLFTIWNSJR-UHFFFAOYSA-N 1 0 215.296 2.293 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)cc1 ZINC000809568425 586506917 /nfs/dbraw/zinc/50/69/17/586506917.db2.gz OHHWDWSDFATYRF-HNNXBMFYSA-N 1 0 243.350 2.262 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000809570801 586506963 /nfs/dbraw/zinc/50/69/63/586506963.db2.gz URCIGSQGGXIBGM-KGLIPLIRSA-N 1 0 230.311 2.098 20 30 BEEDRO CC[N@H+](C[C@H](O)CC#N)[C@H](C)c1cccc(O)c1 ZINC000809577701 586507791 /nfs/dbraw/zinc/50/77/91/586507791.db2.gz ZVOAQDCQXMDKRI-BXUZGUMPSA-N 1 0 248.326 2.050 20 30 BEEDRO C[C@H]1CC[N@H+](C[C@H](O)CC#N)[C@H](c2ccco2)C1 ZINC000809576995 586508266 /nfs/dbraw/zinc/50/82/66/586508266.db2.gz ITAFXRHAZVZGPC-XQQFMLRXSA-N 1 0 248.326 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@](C)(CO)CCC)cc1 ZINC000809618977 586509468 /nfs/dbraw/zinc/50/94/68/586509468.db2.gz TVCJKVDVQXQNEV-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO C#Cc1ccc(CNCC[N@@H+](CC)CCC)cc1 ZINC000809625572 586509801 /nfs/dbraw/zinc/50/98/01/586509801.db2.gz KVPIGSIOESJAAN-UHFFFAOYSA-N 1 0 244.382 2.489 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000809683719 586511406 /nfs/dbraw/zinc/51/14/06/586511406.db2.gz LTOUTXYXKIRDEE-RYUDHWBXSA-N 1 0 241.338 2.495 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000809683302 586511481 /nfs/dbraw/zinc/51/14/81/586511481.db2.gz YHMPGTMIULUFOR-SNVBAGLBSA-N 1 0 248.292 2.015 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000809683971 586512126 /nfs/dbraw/zinc/51/21/26/586512126.db2.gz TYYQSSSDGFWPER-NSHDSACASA-N 1 0 243.285 2.123 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)cc(OC)nc1C)C(C)C ZINC000809685516 586512206 /nfs/dbraw/zinc/51/22/06/586512206.db2.gz XXGZXZXYPHVDQY-CQSZACIVSA-N 1 0 246.354 2.454 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OCC)cc1O ZINC000809686128 586512592 /nfs/dbraw/zinc/51/25/92/586512592.db2.gz RAFOKNUWTYCUJJ-GFCCVEGCSA-N 1 0 233.311 2.292 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OCC)cc1O ZINC000809686129 586513025 /nfs/dbraw/zinc/51/30/25/586513025.db2.gz RAFOKNUWTYCUJJ-LBPRGKRZSA-N 1 0 233.311 2.292 20 30 BEEDRO C#Cc1ccc(CN(C)CC[NH+]2CCCC2)cc1 ZINC000809738101 586516089 /nfs/dbraw/zinc/51/60/89/586516089.db2.gz SLZFIJPRUIAPDR-UHFFFAOYSA-N 1 0 242.366 2.196 20 30 BEEDRO C#CCC[N@@H+](CC)[C@@H]1CCOC(C)(C)C1 ZINC000810043636 586531808 /nfs/dbraw/zinc/53/18/08/586531808.db2.gz ZXNUWPLAKJDQOH-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCCCCCCC[NH2+]Cc1cnnn1C ZINC000810160546 586535815 /nfs/dbraw/zinc/53/58/15/586535815.db2.gz KWKVWKVQPGFTJD-UHFFFAOYSA-N 1 0 236.363 2.431 20 30 BEEDRO CSC1(C[NH2+]Cc2ccc(C#N)cn2)CCC1 ZINC000811493314 586560110 /nfs/dbraw/zinc/56/01/10/586560110.db2.gz IKOYUJPTXGKXJW-UHFFFAOYSA-N 1 0 247.367 2.329 20 30 BEEDRO CCC(N=NC(N)=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC000811638685 586562333 /nfs/dbraw/zinc/56/23/33/586562333.db2.gz WKHDFMJWNZVVJS-UHFFFAOYSA-N 1 0 248.374 2.452 20 30 BEEDRO C[C@H]1CNC(NN=C2CCC3(CCCC3)CC2)=[NH+]1 ZINC000811647098 586562552 /nfs/dbraw/zinc/56/25/52/586562552.db2.gz XNDFQUUBQUHPCY-NSHDSACASA-N 1 0 248.374 2.414 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NOC2CCC2)C1 ZINC000812235588 586571525 /nfs/dbraw/zinc/57/15/25/586571525.db2.gz YOLHJLPQOMAKRY-NSHDSACASA-N 1 0 210.321 2.416 20 30 BEEDRO C[C@@H]1CC(=NOC2CCC2)C[N@@H+]1C1CC1 ZINC000812237870 586571744 /nfs/dbraw/zinc/57/17/44/586571744.db2.gz GPFRHCRZFPYFFD-SECBINFHSA-N 1 0 208.305 2.168 20 30 BEEDRO C#CCC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000812850203 586588050 /nfs/dbraw/zinc/58/80/50/586588050.db2.gz RVLYHQNAEOJQEQ-ZFWWWQNUSA-N 1 0 231.339 2.454 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)CCCC1CC1 ZINC000813067009 586590232 /nfs/dbraw/zinc/59/02/32/586590232.db2.gz LFRFBFRSWVZYDO-AWEZNQCLSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CCN(C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC000813440528 586602057 /nfs/dbraw/zinc/60/20/57/586602057.db2.gz QETXNODFQSXBRO-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000814668039 586627436 /nfs/dbraw/zinc/62/74/36/586627436.db2.gz WRQMWCVGGCCHJB-SNVBAGLBSA-N 1 0 215.724 2.118 20 30 BEEDRO CC[C@@H](C=[NH+]n1cnnc1)c1ccccc1 ZINC000814682677 586629071 /nfs/dbraw/zinc/62/90/71/586629071.db2.gz MWCKQDNGZXZYGN-NSHDSACASA-N 1 0 214.272 2.306 20 30 BEEDRO CC(=[NH+]NCc1ccccc1)c1ccc(N)nc1 ZINC000814751306 586632021 /nfs/dbraw/zinc/63/20/21/586632021.db2.gz IQSIEYWCIOMQFH-UHFFFAOYSA-N 1 0 240.310 2.178 20 30 BEEDRO CCCNN=C(C)c1cccc(C[NH+](C)C)c1 ZINC000814804490 586633620 /nfs/dbraw/zinc/63/36/20/586633620.db2.gz RDVRRGMHYWDHRO-UHFFFAOYSA-N 1 0 233.359 2.472 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)[C@H]1CC1(C)C ZINC000814808109 586636356 /nfs/dbraw/zinc/63/63/56/586636356.db2.gz CCEJYFQNKQCKSY-CYBMUJFWSA-N 1 0 237.391 2.484 20 30 BEEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@H]1CC1(C)C ZINC000814886220 586643114 /nfs/dbraw/zinc/64/31/14/586643114.db2.gz VICAGROHSUEJKI-UTUOFQBUSA-N 1 0 248.374 2.268 20 30 BEEDRO CC(=NNCC(F)(F)F)c1cc(N)ccc1F ZINC000814904787 586647642 /nfs/dbraw/zinc/64/76/42/586647642.db2.gz YOSWTMMMSKSGLK-UHFFFAOYSA-N 1 0 249.211 2.284 20 30 BEEDRO C=CCOCCN1CCC[C@@H]1c1cc(C)on1 ZINC000815011594 586663890 /nfs/dbraw/zinc/66/38/90/586663890.db2.gz SIOLMFBWABPNEJ-CYBMUJFWSA-N 1 0 236.315 2.323 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000815105986 586666876 /nfs/dbraw/zinc/66/68/76/586666876.db2.gz OBCGNMXFHVAXKF-NXEZZACHSA-N 1 0 214.259 2.410 20 30 BEEDRO C#CCCN1CC(C)(C)O[C@](C)(C(F)(F)F)C1 ZINC000815147910 586670107 /nfs/dbraw/zinc/67/01/07/586670107.db2.gz HSHCAHIILSHOMY-NSHDSACASA-N 1 0 249.276 2.442 20 30 BEEDRO C#CCCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000815292613 586677183 /nfs/dbraw/zinc/67/71/83/586677183.db2.gz GPOKCAOKYLMYQN-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC(F)(F)C(=O)OCC[NH+]1CCCCC1 ZINC000815311989 586678271 /nfs/dbraw/zinc/67/82/71/586678271.db2.gz HIKXBBWEUGCAIK-UHFFFAOYSA-N 1 0 247.285 2.227 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000815317565 586678909 /nfs/dbraw/zinc/67/89/09/586678909.db2.gz KKVBBQTYFURERD-LLVKDONJSA-N 1 0 217.740 2.486 20 30 BEEDRO CC#CCOC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000815445643 586684812 /nfs/dbraw/zinc/68/48/12/586684812.db2.gz DZMDAGNDFLPHSQ-CQSZACIVSA-N 1 0 249.354 2.350 20 30 BEEDRO C=CCC(F)(F)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000815596179 586688766 /nfs/dbraw/zinc/68/87/66/586688766.db2.gz MTWKEJIYBASOPW-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H]1C(C)C ZINC000815652837 586690784 /nfs/dbraw/zinc/69/07/84/586690784.db2.gz WJBOGWVQDJAYSJ-GJZGRUSLSA-N 1 0 236.403 2.356 20 30 BEEDRO C=CC1CC[NH+](Cc2cnn(C)c2Cl)CC1 ZINC000816509120 586737433 /nfs/dbraw/zinc/73/74/33/586737433.db2.gz FHDFJPGDYNDEBV-UHFFFAOYSA-N 1 0 239.750 2.472 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)C(C)(C)C ZINC000817220148 586786843 /nfs/dbraw/zinc/78/68/43/586786843.db2.gz ZRAUYEKFZWBCRV-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[N@@H+](C)CN1CCC(CC)(CC)C1=O ZINC000817361383 586799115 /nfs/dbraw/zinc/79/91/15/586799115.db2.gz IYVJYZYZMVWAPO-UHFFFAOYSA-N 1 0 238.375 2.491 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)cc1 ZINC000817412902 586802060 /nfs/dbraw/zinc/80/20/60/586802060.db2.gz QNUADDUAOGQTFL-CJNGLKHVSA-N 1 0 243.350 2.118 20 30 BEEDRO C=CC[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895298 586834807 /nfs/dbraw/zinc/83/48/07/586834807.db2.gz XQOFMNBQAMKYLR-AEGPPILISA-N 1 0 245.370 2.429 20 30 BEEDRO C=C(Cl)CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000817944173 586846242 /nfs/dbraw/zinc/84/62/42/586846242.db2.gz YPSAQUMGAWYPJR-SECBINFHSA-N 1 0 238.718 2.189 20 30 BEEDRO C#CCOc1ccc([C@H](C)NCC(C)(C)[NH3+])cc1 ZINC000817960974 586851888 /nfs/dbraw/zinc/85/18/88/586851888.db2.gz VJRFIVWVHRBCBE-LBPRGKRZSA-N 1 0 246.354 2.087 20 30 BEEDRO C#CCOc1ccc([C@H](C)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000817977239 586861157 /nfs/dbraw/zinc/86/11/57/586861157.db2.gz FIFILOHMBLJTHM-XQQFMLRXSA-N 1 0 246.354 2.085 20 30 BEEDRO CCCCCCC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859958719 589073550 /nfs/dbraw/zinc/07/35/50/589073550.db2.gz JWEGIECRZULECU-TXEJJXNPSA-N 1 0 226.364 2.153 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000818950357 586917408 /nfs/dbraw/zinc/91/74/08/586917408.db2.gz VSMWIARYPHLAFR-BDAKNGLRSA-N 1 0 246.141 2.213 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccncc1 ZINC000819074580 586928761 /nfs/dbraw/zinc/92/87/61/586928761.db2.gz RLQPJFPIVPULAT-ZIAGYGMSSA-N 1 0 232.327 2.059 20 30 BEEDRO C=CC[C@H]([NH2+]CC1(O)CCC1)c1ccncc1 ZINC000819074923 586928953 /nfs/dbraw/zinc/92/89/53/586928953.db2.gz WEJYRILHNGVWOP-ZDUSSCGKSA-N 1 0 232.327 2.203 20 30 BEEDRO C=CC[C@H]([NH2+]C[C@H](O)CC)c1ccncc1 ZINC000819073570 586929014 /nfs/dbraw/zinc/92/90/14/586929014.db2.gz GNAXUKBHFLLLQN-OLZOCXBDSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccncc1 ZINC000819074579 586929221 /nfs/dbraw/zinc/92/92/21/586929221.db2.gz RLQPJFPIVPULAT-UONOGXRCSA-N 1 0 232.327 2.059 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819115604 586931173 /nfs/dbraw/zinc/93/11/73/586931173.db2.gz FBIDLRNOLWIVQW-OAHLLOKOSA-N 1 0 231.339 2.340 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000819115400 586931199 /nfs/dbraw/zinc/93/11/99/586931199.db2.gz ANGBBZUPSQDLIK-DZGCQCFKSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)CCCCCC ZINC000819116750 586931221 /nfs/dbraw/zinc/93/12/21/586931221.db2.gz YSSZYGTTYUXXTN-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000819156511 586934241 /nfs/dbraw/zinc/93/42/41/586934241.db2.gz JAXVNNZGPDLZKW-OAHLLOKOSA-N 1 0 231.339 2.422 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000819189039 586937071 /nfs/dbraw/zinc/93/70/71/586937071.db2.gz PCROQFVBAAYKNZ-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819213655 586939060 /nfs/dbraw/zinc/93/90/60/586939060.db2.gz OEPVJSPAEJKJNR-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO CCCCCC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000819218055 586939201 /nfs/dbraw/zinc/93/92/01/586939201.db2.gz CARIYHBDLVRSPM-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000819218620 586939539 /nfs/dbraw/zinc/93/95/39/586939539.db2.gz INVSEHXJPNBSDY-CYBMUJFWSA-N 1 0 232.327 2.168 20 30 BEEDRO C=CCOCC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819217859 586939583 /nfs/dbraw/zinc/93/95/83/586939583.db2.gz HDNGYDPGTMFVQN-HNNXBMFYSA-N 1 0 249.354 2.129 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+]CC(C)(C)C#N)cc1 ZINC000819218634 586939873 /nfs/dbraw/zinc/93/98/73/586939873.db2.gz IVCFAPSSWHLQIM-ZDUSSCGKSA-N 1 0 232.327 2.168 20 30 BEEDRO Cc1cc(C)cc([C@H](O)C[NH2+]CC2(C#N)CC2)c1 ZINC000819281002 586947554 /nfs/dbraw/zinc/94/75/54/586947554.db2.gz QRYHJSIVTCOMKR-CQSZACIVSA-N 1 0 244.338 2.230 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000819281716 586947821 /nfs/dbraw/zinc/94/78/21/586947821.db2.gz WIMLMWULTHQNEL-CQSZACIVSA-N 1 0 244.338 2.312 20 30 BEEDRO N#CCC1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000819281518 586948000 /nfs/dbraw/zinc/94/80/00/586948000.db2.gz VQPNSPPPKYJSMA-CYBMUJFWSA-N 1 0 248.301 2.143 20 30 BEEDRO C=CCCCCCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000819310111 586949586 /nfs/dbraw/zinc/94/95/86/586949586.db2.gz ZPEZRGSNDGRXAN-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1(O)CCCCC1 ZINC000819351250 586955795 /nfs/dbraw/zinc/95/57/95/586955795.db2.gz XKOBUCCQPDYFHC-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819362564 586956869 /nfs/dbraw/zinc/95/68/69/586956869.db2.gz AASSTEILCIUYQD-RRFJBIMHSA-N 1 0 244.338 2.226 20 30 BEEDRO N#CC1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CCC1 ZINC000819377191 586959047 /nfs/dbraw/zinc/95/90/47/586959047.db2.gz JXAKWEBHYCSHEV-ZDUSSCGKSA-N 1 0 248.301 2.143 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000820557898 587054226 /nfs/dbraw/zinc/05/42/26/587054226.db2.gz IXLZVTZRMRBGKT-JHJVBQTASA-N 1 0 238.375 2.140 20 30 BEEDRO C#CCCC[N@@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000860186413 589087857 /nfs/dbraw/zinc/08/78/57/589087857.db2.gz BFUIFCVVNNHQPH-CLLJXQQHSA-N 1 0 237.343 2.062 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000820728611 587068555 /nfs/dbraw/zinc/06/85/55/587068555.db2.gz NNFRPEPOPAUMES-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000840454199 587104763 /nfs/dbraw/zinc/10/47/63/587104763.db2.gz WHVWGNYCGYPSBY-PJXYFTJBSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](C/C=C\C)C1 ZINC000860185667 589087700 /nfs/dbraw/zinc/08/77/00/589087700.db2.gz RTKGTKJGKLAIAV-MFBWXBCUSA-N 1 0 221.344 2.314 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000822497451 587171850 /nfs/dbraw/zinc/17/18/50/587171850.db2.gz DRKIIVGRHDHTPS-JOYOIKCWSA-N 1 0 234.274 2.313 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H](C)[C@H](C)[NH3+])n1 ZINC000823248289 587211203 /nfs/dbraw/zinc/21/12/03/587211203.db2.gz NWXZIFGRBRLYSL-IUCAKERBSA-N 1 0 223.320 2.374 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@H]2CC[NH2+]C2)n1 ZINC000823248440 587211461 /nfs/dbraw/zinc/21/14/61/587211461.db2.gz OUEOWAOANRRHPS-SNVBAGLBSA-N 1 0 235.331 2.075 20 30 BEEDRO C=CCCc1noc([C@H]2CC[NH2+][C@H]2CC)n1 ZINC000823264403 587212346 /nfs/dbraw/zinc/21/23/46/587212346.db2.gz SHLYGTDKLUJJGY-UWVGGRQHSA-N 1 0 221.304 2.044 20 30 BEEDRO C=CCCc1noc([C@@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000823263546 587212396 /nfs/dbraw/zinc/21/23/96/587212396.db2.gz JEARNHVIZYFHCD-ONGXEEELSA-N 1 0 223.320 2.275 20 30 BEEDRO C#C[C@H]([NH2+]Cc1csc(C)c1)[C@@H]1CCCO1 ZINC000824195473 587259935 /nfs/dbraw/zinc/25/99/35/587259935.db2.gz GIHGGYADAUTRPD-STQMWFEESA-N 1 0 235.352 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2=CCOCC2)cc1 ZINC000824597565 587278661 /nfs/dbraw/zinc/27/86/61/587278661.db2.gz USCDVNDJLGMPKA-UHFFFAOYSA-N 1 0 227.307 2.104 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000824691132 587282842 /nfs/dbraw/zinc/28/28/42/587282842.db2.gz USERSPPKFYXHFK-AVGNSLFASA-N 1 0 220.316 2.351 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000824841133 587287624 /nfs/dbraw/zinc/28/76/24/587287624.db2.gz GHIJUNLVIOROBM-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2OC)cc1 ZINC000824904078 587292782 /nfs/dbraw/zinc/29/27/82/587292782.db2.gz UANCBIYXWYPLPW-HUUCEWRRSA-N 1 0 229.323 2.325 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccoc1 ZINC000824953093 587294589 /nfs/dbraw/zinc/29/45/89/587294589.db2.gz GYFHCWWRETYZDA-NEPJUHHUSA-N 1 0 207.273 2.103 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000824958241 587295224 /nfs/dbraw/zinc/29/52/24/587295224.db2.gz TUUCYDKKJKTIMR-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]C2CCC(O)CC2)c1 ZINC000825117268 587305228 /nfs/dbraw/zinc/30/52/28/587305228.db2.gz WRVIUUUCAWJZMC-UHFFFAOYSA-N 1 0 248.301 2.090 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)COCC)c1 ZINC000825227449 587309998 /nfs/dbraw/zinc/30/99/98/587309998.db2.gz UAWBZAQQPJSXFX-LBPRGKRZSA-N 1 0 217.312 2.183 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(COC)cs1 ZINC000825710216 587333557 /nfs/dbraw/zinc/33/35/57/587333557.db2.gz IYCXIORUQVYSDP-SNVBAGLBSA-N 1 0 223.341 2.348 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C)c(C(=O)OC)o1)C(C)C ZINC000825878433 587343401 /nfs/dbraw/zinc/34/34/01/587343401.db2.gz NMPWSEXXRGLZJY-LBPRGKRZSA-N 1 0 249.310 2.122 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825878554 587343510 /nfs/dbraw/zinc/34/35/10/587343510.db2.gz RCEHNJWDCIFLDW-SECBINFHSA-N 1 0 223.703 2.465 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(/C=C\C(=O)OC)o1 ZINC000826915363 587365289 /nfs/dbraw/zinc/36/52/89/587365289.db2.gz IVMSDMGYSBYQAX-FPLPWBNLSA-N 1 0 235.283 2.132 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000826946409 587366481 /nfs/dbraw/zinc/36/64/81/587366481.db2.gz GXEBDGVBIZJJRB-LBPRGKRZSA-N 1 0 217.316 2.265 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCC12CC2)C1CCOCC1 ZINC000827555496 587387590 /nfs/dbraw/zinc/38/75/90/587387590.db2.gz VFFCMCUUKIHQLF-UONOGXRCSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(C)(C)C)C1CCOCC1 ZINC000827560186 587387809 /nfs/dbraw/zinc/38/78/09/587387809.db2.gz MNRVBYMTUWAJSV-CYBMUJFWSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC1CC1)C1CCOCC1 ZINC000827560254 587387975 /nfs/dbraw/zinc/38/79/75/587387975.db2.gz NWIKTMVTUFLJCK-RISCZKNCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)c1ccccn1)C1CCOCC1 ZINC000827565192 587388358 /nfs/dbraw/zinc/38/83/58/587388358.db2.gz JSFNYFUAELCRCP-GXTWGEPZSA-N 1 0 244.338 2.161 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(C)C)C1CCOCC1 ZINC000827560701 587388400 /nfs/dbraw/zinc/38/84/00/587388400.db2.gz TYXFEXMBBZDUSW-XBFCOCLRSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)C(C)C)C1CCOCC1 ZINC000827564434 587388437 /nfs/dbraw/zinc/38/84/37/587388437.db2.gz BNJXPMRUANDQHX-DGCLKSJQSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(C)C)C1CCOCC1 ZINC000827560699 587388587 /nfs/dbraw/zinc/38/85/87/587388587.db2.gz TYXFEXMBBZDUSW-UBHSHLNASA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)CC)C1CCOCC1 ZINC000827560841 587388594 /nfs/dbraw/zinc/38/85/94/587388594.db2.gz VFSKMODUXAKRKW-AAEUAGOBSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CC(C)C)C1CCOCC1 ZINC000827566040 587388813 /nfs/dbraw/zinc/38/88/13/587388813.db2.gz RFOLXSXODROMGF-GXTWGEPZSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H](C)CC)C1CCOCC1 ZINC000827566347 587388817 /nfs/dbraw/zinc/38/88/17/587388817.db2.gz VFFOUOIFTDKZJP-OBJOEFQTSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCCCC1)C1CCOCC1 ZINC000827565977 587389016 /nfs/dbraw/zinc/38/90/16/587389016.db2.gz QLXMMBJIROOBDU-CQSZACIVSA-N 1 0 221.344 2.337 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000827602896 587391769 /nfs/dbraw/zinc/39/17/69/587391769.db2.gz YDVJGTZIYMBLPA-HOTGVXAUSA-N 1 0 241.334 2.136 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCc1ccccc1F ZINC000827787788 587402671 /nfs/dbraw/zinc/40/26/71/587402671.db2.gz KKZAKOIDSDOGLT-AWEZNQCLSA-N 1 0 237.318 2.237 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(Cl)o1 ZINC000827817753 587403971 /nfs/dbraw/zinc/40/39/71/587403971.db2.gz JHWOLIIKPAYCFM-UHFFFAOYSA-N 1 0 241.718 2.405 20 30 BEEDRO C#CCCN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000828519267 587447008 /nfs/dbraw/zinc/44/70/08/587447008.db2.gz KDNLNUAGNRZESS-UHFFFAOYSA-N 1 0 246.398 2.208 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCOC1 ZINC000828808671 587463220 /nfs/dbraw/zinc/46/32/20/587463220.db2.gz VFAJQHFBQPQFLX-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000829773523 587515236 /nfs/dbraw/zinc/51/52/36/587515236.db2.gz FJBYSQOAYHPZNH-RYUDHWBXSA-N 1 0 247.342 2.428 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCC(=O)OCC)C1 ZINC000829779443 587515618 /nfs/dbraw/zinc/51/56/18/587515618.db2.gz UTCTUWBZNOYVFH-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC000829779103 587515766 /nfs/dbraw/zinc/51/57/66/587515766.db2.gz MSPWILVPOOROEF-ZYHUDNBSSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000829784883 587516592 /nfs/dbraw/zinc/51/65/92/587516592.db2.gz NRGORACTKZIADF-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000829789134 587516728 /nfs/dbraw/zinc/51/67/28/587516728.db2.gz OLHVNMWCKMVAEF-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cncc(F)c2)C1 ZINC000829810364 587518230 /nfs/dbraw/zinc/51/82/30/587518230.db2.gz OTAVECOXWOOXAJ-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000829809753 587518523 /nfs/dbraw/zinc/51/85/23/587518523.db2.gz GPUINUCCHOYZLY-GHMZBOCLSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000829815276 587519046 /nfs/dbraw/zinc/51/90/46/587519046.db2.gz IOWRHZFLIIFUQA-LBPRGKRZSA-N 1 0 234.368 2.421 20 30 BEEDRO C#CC[C@H]1CCCN(Cc2nnc(C(C)C)[nH]2)C1 ZINC000829816097 587519770 /nfs/dbraw/zinc/51/97/70/587519770.db2.gz ZGURNUJNWBACRZ-LBPRGKRZSA-N 1 0 246.358 2.163 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccncc2F)C1 ZINC000829815257 587519865 /nfs/dbraw/zinc/51/98/65/587519865.db2.gz ICWUFCVMTFWVFG-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000829815710 587520023 /nfs/dbraw/zinc/52/00/23/587520023.db2.gz RPLVKXIQTHRTPG-GFCCVEGCSA-N 1 0 234.368 2.421 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2ccncc2C#N)C1 ZINC000829821032 587520140 /nfs/dbraw/zinc/52/01/40/587520140.db2.gz LKXPOLKOVRXDRI-CYBMUJFWSA-N 1 0 239.322 2.189 20 30 BEEDRO N#CC[C@]1(O)CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000829992319 587531239 /nfs/dbraw/zinc/53/12/39/587531239.db2.gz UWVGTJUWNKCXPB-AWEZNQCLSA-N 1 0 248.301 2.007 20 30 BEEDRO C#CC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000830321539 587545733 /nfs/dbraw/zinc/54/57/33/587545733.db2.gz QGTAAPVTMHOEPF-INIZCTEOSA-N 1 0 243.350 2.239 20 30 BEEDRO C#CC1CC[NH+](CCOCCCC)CC1 ZINC000830321285 587545821 /nfs/dbraw/zinc/54/58/21/587545821.db2.gz FGIMVOCAFGAZPA-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000830321325 587545839 /nfs/dbraw/zinc/54/58/39/587545839.db2.gz GQCASLPTGHQCCP-LBPRGKRZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC1CC[NH+](CCOCCC(C)C)CC1 ZINC000830321657 587545926 /nfs/dbraw/zinc/54/59/26/587545926.db2.gz WBERZFSNRNBPEU-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000830345767 587546708 /nfs/dbraw/zinc/54/67/08/587546708.db2.gz RVWSOMAMQPNEHO-UHFFFAOYSA-N 1 0 223.319 2.383 20 30 BEEDRO C#CC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000830350389 587546747 /nfs/dbraw/zinc/54/67/47/587546747.db2.gz BFQPBYAIFXWNQG-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000830345668 587546869 /nfs/dbraw/zinc/54/68/69/587546869.db2.gz MOLVJOVONQNXRT-UHFFFAOYSA-N 1 0 204.317 2.271 20 30 BEEDRO Cc1ccccc1CC[N@@H+](C)CCO[C@H](C)C#N ZINC000830391696 587548926 /nfs/dbraw/zinc/54/89/26/587548926.db2.gz YHOZKHOZIVIMKG-CQSZACIVSA-N 1 0 246.354 2.398 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000830422713 587551413 /nfs/dbraw/zinc/55/14/13/587551413.db2.gz DIYRLDUFHBPDLD-BBBLOLIVSA-N 1 0 235.780 2.238 20 30 BEEDRO C#CCCC[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000830518551 587555764 /nfs/dbraw/zinc/55/57/64/587555764.db2.gz WMNQDBNWARJQKC-AWEZNQCLSA-N 1 0 235.371 2.343 20 30 BEEDRO C=C1CCC(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000830980250 587579364 /nfs/dbraw/zinc/57/93/64/587579364.db2.gz MSJFARSLRYSPSO-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000831462936 587610622 /nfs/dbraw/zinc/61/06/22/587610622.db2.gz LXBBAHGBPBTCII-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=CCCC[NH+]1CCN(c2cccc(F)n2)CC1 ZINC000831477472 587612677 /nfs/dbraw/zinc/61/26/77/587612677.db2.gz FYXVKUCHXDMABI-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000831547182 587618494 /nfs/dbraw/zinc/61/84/94/587618494.db2.gz JHOGDZAOPVZHKN-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C\Cl ZINC000831823583 587633311 /nfs/dbraw/zinc/63/33/11/587633311.db2.gz XAKOVGZETWIJSX-ZUJXDTADSA-N 1 0 201.697 2.062 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](COC)CC1 ZINC000832744169 587682659 /nfs/dbraw/zinc/68/26/59/587682659.db2.gz CLWAQZLPJGUARV-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834701777 587764453 /nfs/dbraw/zinc/76/44/53/587764453.db2.gz GCARNDOROOQFAK-DGCLKSJQSA-N 1 0 247.338 2.154 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000834761482 587766176 /nfs/dbraw/zinc/76/61/76/587766176.db2.gz QXGABMBWXBXCNK-CQSZACIVSA-N 1 0 246.354 2.032 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cc(C)nn1C ZINC000834881832 587769311 /nfs/dbraw/zinc/76/93/11/587769311.db2.gz BPSIWRFNMUCYPT-LLVKDONJSA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCC1(C[NH2+][C@H](C)CCO)CCCC1 ZINC000834898269 587769538 /nfs/dbraw/zinc/76/95/38/587769538.db2.gz AYOHDUZFKGILJU-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)c2cnn(C)c2)c1 ZINC000834903001 587769994 /nfs/dbraw/zinc/76/99/94/587769994.db2.gz NGEGCMPISULJGO-GFCCVEGCSA-N 1 0 239.322 2.252 20 30 BEEDRO Cc1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834954830 587772389 /nfs/dbraw/zinc/77/23/89/587772389.db2.gz VVISUIITIMYEGT-QMMMGPOBSA-N 1 0 211.215 2.443 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCCC23CCCCC3)=[NH+]1 ZINC000834971111 587774280 /nfs/dbraw/zinc/77/42/80/587774280.db2.gz USASLZJWXWLHGT-LLVKDONJSA-N 1 0 248.374 2.414 20 30 BEEDRO CC[C@@H](C)N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834973210 587774836 /nfs/dbraw/zinc/77/48/36/587774836.db2.gz NECGXIFSEVQAHC-SECBINFHSA-N 1 0 232.331 2.092 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1 ZINC000835085948 587781689 /nfs/dbraw/zinc/78/16/89/587781689.db2.gz CXYDOUPYXCPEBL-SWLSCSKDSA-N 1 0 229.323 2.325 20 30 BEEDRO C#CCCCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000836855129 587839915 /nfs/dbraw/zinc/83/99/15/587839915.db2.gz HLRAKQCTQLPYEQ-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000837167793 587856698 /nfs/dbraw/zinc/85/66/98/587856698.db2.gz PXBFLMWSSGCBTR-ZDUSSCGKSA-N 1 0 246.354 2.290 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)c1cccc(CC)c1 ZINC000837274373 587862839 /nfs/dbraw/zinc/86/28/39/587862839.db2.gz YLTHHCCGQBMYAL-UHFFFAOYSA-N 1 0 246.354 2.330 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000840730009 587918563 /nfs/dbraw/zinc/91/85/63/587918563.db2.gz SFCZPBSEFBZZNI-ZDUSSCGKSA-N 1 0 246.354 2.414 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC)[C@H]1CC1(C)C ZINC000840745738 587919448 /nfs/dbraw/zinc/91/94/48/587919448.db2.gz OLYUIFZOJWDNCB-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1ccc(F)c(F)c1 ZINC000121486304 587926363 /nfs/dbraw/zinc/92/63/63/587926363.db2.gz KDRWUYSTJKEWJU-LBPRGKRZSA-N 1 0 227.254 2.116 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1ccc(F)c(F)c1 ZINC000121486464 587926512 /nfs/dbraw/zinc/92/65/12/587926512.db2.gz KDRWUYSTJKEWJU-GFCCVEGCSA-N 1 0 227.254 2.116 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938730 587930905 /nfs/dbraw/zinc/93/09/05/587930905.db2.gz GBWNQWWGYZYQFS-AWEZNQCLSA-N 1 0 248.370 2.088 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)C#N ZINC000840939693 587930956 /nfs/dbraw/zinc/93/09/56/587930956.db2.gz OJAPKXPXTRZKSA-LLVKDONJSA-N 1 0 231.343 2.310 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840944833 587931118 /nfs/dbraw/zinc/93/11/18/587931118.db2.gz FEHUBKQSOGQMBP-LBPRGKRZSA-N 1 0 216.328 2.172 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)CCOC)cc1 ZINC000840955555 587931644 /nfs/dbraw/zinc/93/16/44/587931644.db2.gz SQOPPZWZOUZXNR-ZDUSSCGKSA-N 1 0 231.339 2.430 20 30 BEEDRO CCC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@H]1C[C@@H]1C ZINC000841634258 587963406 /nfs/dbraw/zinc/96/34/06/587963406.db2.gz WVHRGRWMMZJWIS-XRRVDJEJSA-N 1 0 248.374 2.268 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CC1(C#N)CCC1 ZINC000841899668 587980684 /nfs/dbraw/zinc/98/06/84/587980684.db2.gz XQXVKEVWZHEBNT-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000841903245 587982470 /nfs/dbraw/zinc/98/24/70/587982470.db2.gz MGSIZEBUNTYQNI-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CCN(C(=O)N[C@@H](C[NH3+])CCCC)C(C)C ZINC000841957136 587986938 /nfs/dbraw/zinc/98/69/38/587986938.db2.gz FBPXSPLPFXHNJH-GFCCVEGCSA-N 1 0 241.379 2.110 20 30 BEEDRO C=C(C)CON=C(N)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000842049072 587992997 /nfs/dbraw/zinc/99/29/97/587992997.db2.gz OQOXHMADFIKFMA-RYUDHWBXSA-N 1 0 239.363 2.324 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@H](CC(C)C)OC ZINC000842149555 588003390 /nfs/dbraw/zinc/00/33/90/588003390.db2.gz ABNAZGBXVCLNCU-AWEZNQCLSA-N 1 0 221.344 2.006 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842150747 588003562 /nfs/dbraw/zinc/00/35/62/588003562.db2.gz XMWQVAWZDAKHJX-HNNXBMFYSA-N 1 0 244.338 2.490 20 30 BEEDRO CCCO[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000842556135 588041833 /nfs/dbraw/zinc/04/18/33/588041833.db2.gz GXYOVSLWCIKHMO-UHFFFAOYSA-N 1 0 233.315 2.442 20 30 BEEDRO C#CCCCCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000842585362 588044144 /nfs/dbraw/zinc/04/41/44/588044144.db2.gz AQEKBEKBKKLSAA-NSHDSACASA-N 1 0 235.331 2.462 20 30 BEEDRO C#CCCCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000842586983 588044243 /nfs/dbraw/zinc/04/42/43/588044243.db2.gz SWIMZHYNRURBKF-SNVBAGLBSA-N 1 0 221.304 2.071 20 30 BEEDRO C#CCCCCc1nc([C@H]([NH3+])CC(C)C)no1 ZINC000842585361 588044384 /nfs/dbraw/zinc/04/43/84/588044384.db2.gz AQEKBEKBKKLSAA-LLVKDONJSA-N 1 0 235.331 2.462 20 30 BEEDRO C#CCCCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000842640075 588048039 /nfs/dbraw/zinc/04/80/39/588048039.db2.gz UMQXNTILZYRIBR-LLVKDONJSA-N 1 0 233.315 2.230 20 30 BEEDRO C=CCCO[C@@H](C)c1nc([C@@H]([NH3+])C(C)C)no1 ZINC000843148656 588086471 /nfs/dbraw/zinc/08/64/71/588086471.db2.gz BWLSDFDEURZYFA-UWVGGRQHSA-N 1 0 239.319 2.379 20 30 BEEDRO C=CCCc1noc(CCCCCC[NH3+])n1 ZINC000843237939 588095031 /nfs/dbraw/zinc/09/50/31/588095031.db2.gz IQRGBKUPCZNTCC-UHFFFAOYSA-N 1 0 223.320 2.250 20 30 BEEDRO C=CCC(C)(C)c1noc(CC[NH2+]C(C)C)n1 ZINC000843235964 588095163 /nfs/dbraw/zinc/09/51/63/588095163.db2.gz XOGNAMBCAMKLPX-UHFFFAOYSA-N 1 0 237.347 2.464 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CC(C)C)C(C)C ZINC000843409065 588106827 /nfs/dbraw/zinc/10/68/27/588106827.db2.gz OGMRBOLFKBLTBY-AWEZNQCLSA-N 1 0 233.359 2.287 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000843408432 588106850 /nfs/dbraw/zinc/10/68/50/588106850.db2.gz FGJJSSDDAFZWCW-JTQLQIEISA-N 1 0 243.310 2.100 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000843423993 588107824 /nfs/dbraw/zinc/10/78/24/588107824.db2.gz NNTZRXYSBIXNNS-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000843798195 588140763 /nfs/dbraw/zinc/14/07/63/588140763.db2.gz HJYPFMCKULXBTM-DMDPSCGWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844371924 588188373 /nfs/dbraw/zinc/18/83/73/588188373.db2.gz SLVQIXMOTWVDBR-HNNXBMFYSA-N 1 0 244.338 2.490 20 30 BEEDRO C#CCC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844400494 588189974 /nfs/dbraw/zinc/18/99/74/588189974.db2.gz CRHQPMCMVWZCID-UHFFFAOYSA-N 1 0 246.354 2.087 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](C)OCC12CCC2 ZINC000844421277 588190991 /nfs/dbraw/zinc/19/09/91/588190991.db2.gz GAJRRUBXSPWFCD-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000844431266 588192110 /nfs/dbraw/zinc/19/21/10/588192110.db2.gz OVGOFVVJPVAIRX-SLEUVZQESA-N 1 0 229.389 2.162 20 30 BEEDRO C=C(Cl)CN(C)CC[NH+]1CCCCC1 ZINC000844464515 588197159 /nfs/dbraw/zinc/19/71/59/588197159.db2.gz QANVRNIEAVNNBW-UHFFFAOYSA-N 1 0 216.756 2.157 20 30 BEEDRO C=C(C)CON=C1CCC[C@@H]([NH+](C)C)C1 ZINC000844618527 588208817 /nfs/dbraw/zinc/20/88/17/588208817.db2.gz UGDMEVBZDNJFHQ-GFCCVEGCSA-N 1 0 210.321 2.439 20 30 BEEDRO C=C[C@H](C)ON=C1C[N@H+](C(C)C)C[C@@H]1C ZINC000844621720 588209980 /nfs/dbraw/zinc/20/99/80/588209980.db2.gz LUHFQXCCWIROFY-QWRGUYRKSA-N 1 0 210.321 2.294 20 30 BEEDRO C=C[C@H](C)ON=C1CCC[C@@H]([NH+](C)C)C1 ZINC000844624275 588210771 /nfs/dbraw/zinc/21/07/71/588210771.db2.gz HVDGXRRQCQXAMG-CMPLNLGQSA-N 1 0 210.321 2.438 20 30 BEEDRO C#CCC[C@H](C)OC(=O)C[C@@H](C)n1ccnc1 ZINC000845598536 588234921 /nfs/dbraw/zinc/23/49/21/588234921.db2.gz PDEFIWNVCZZIQO-NEPJUHHUSA-N 1 0 234.299 2.179 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CCC(=O)NC ZINC000106041367 588247129 /nfs/dbraw/zinc/24/71/29/588247129.db2.gz SERQWRYUDIXJKQ-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)C2CC2)C1 ZINC000845939449 588250992 /nfs/dbraw/zinc/25/09/92/588250992.db2.gz ZLOVTWIZGQLOKY-RAIGVLPGSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)OCCO2)C1 ZINC000845945838 588251213 /nfs/dbraw/zinc/25/12/13/588251213.db2.gz MVCVTZSRQKECCZ-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000845948339 588251344 /nfs/dbraw/zinc/25/13/44/588251344.db2.gz UQBOZGXGEJYISA-RYUDHWBXSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2COC(C)(C)OC2)C1 ZINC000845954010 588251562 /nfs/dbraw/zinc/25/15/62/588251562.db2.gz KQLRBNWHFHTOCD-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO C#CC[N@H+](Cc1cc2cnccc2o1)C1CC1 ZINC000845958948 588251757 /nfs/dbraw/zinc/25/17/57/588251757.db2.gz WEVONROKCIUTSW-UHFFFAOYSA-N 1 0 226.279 2.425 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000845958233 588251772 /nfs/dbraw/zinc/25/17/72/588251772.db2.gz KSWXDTFSJUMDBV-QWHCGFSZSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000845963155 588252145 /nfs/dbraw/zinc/25/21/45/588252145.db2.gz MDYLKGKHWVGZJU-GUBZILKMSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCc2cnn(C)n2)C1 ZINC000845976406 588252361 /nfs/dbraw/zinc/25/23/61/588252361.db2.gz JMQVTZMSMBBZBZ-STQMWFEESA-N 1 0 248.374 2.082 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC000845986378 588252513 /nfs/dbraw/zinc/25/25/13/588252513.db2.gz UWMBBAAOEMLZRC-OLZOCXBDSA-N 1 0 248.374 2.441 20 30 BEEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)CC1(F)CC1 ZINC000846005580 588253579 /nfs/dbraw/zinc/25/35/79/588253579.db2.gz ACPKBVMPBUCSDU-ZDUSSCGKSA-N 1 0 248.301 2.026 20 30 BEEDRO N#Cc1cccc2c1CN(CCCCCC[NH3+])C2 ZINC000846228286 588261932 /nfs/dbraw/zinc/26/19/32/588261932.db2.gz LYLYBNCMPCACDL-UHFFFAOYSA-N 1 0 243.354 2.393 20 30 BEEDRO C=C(C)CN1CCC([NH2+]CC2CC2)CC1 ZINC000106245002 588263270 /nfs/dbraw/zinc/26/32/70/588263270.db2.gz HABITXXEOPGQLT-UHFFFAOYSA-N 1 0 208.349 2.027 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000846930000 588297014 /nfs/dbraw/zinc/29/70/14/588297014.db2.gz FFQGXQQQWUPWQY-CQSZACIVSA-N 1 0 245.370 2.259 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000846993213 588300796 /nfs/dbraw/zinc/30/07/96/588300796.db2.gz MWNLJZDUWYYBQX-YUMQZZPRSA-N 1 0 221.131 2.462 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2oc(CC)nc2C)C1 ZINC000847018478 588302031 /nfs/dbraw/zinc/30/20/31/588302031.db2.gz KIMPTKSRLLUJOK-GFCCVEGCSA-N 1 0 232.327 2.391 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(CC)cn2)C1 ZINC000847018526 588302226 /nfs/dbraw/zinc/30/22/26/588302226.db2.gz KXEVOUIGPSMCII-AWEZNQCLSA-N 1 0 228.339 2.489 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000847019448 588302235 /nfs/dbraw/zinc/30/22/35/588302235.db2.gz QMAFIGOOSVCIPH-GFCCVEGCSA-N 1 0 218.300 2.137 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCCC(=O)CC)C1 ZINC000847019655 588302344 /nfs/dbraw/zinc/30/23/44/588302344.db2.gz SNNIUSUWTRZRCU-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCCC(=O)CC)C1 ZINC000847019656 588302407 /nfs/dbraw/zinc/30/24/07/588302407.db2.gz SNNIUSUWTRZRCU-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000847023195 588303333 /nfs/dbraw/zinc/30/33/33/588303333.db2.gz ZODJIIPSNORMTR-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000847025117 588303857 /nfs/dbraw/zinc/30/38/57/588303857.db2.gz VDZGHLDKAGIVRY-OLZOCXBDSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000847025663 588303904 /nfs/dbraw/zinc/30/39/04/588303904.db2.gz OAAAMQWTCKUDDK-CHWSQXEVSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)CC(C)C)C1 ZINC000847033843 588304400 /nfs/dbraw/zinc/30/44/00/588304400.db2.gz GYJHVBNKUCZAHR-CYBMUJFWSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC000847032978 588304431 /nfs/dbraw/zinc/30/44/31/588304431.db2.gz ZMCBCWQSSWITDL-SWLSCSKDSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000847033642 588304519 /nfs/dbraw/zinc/30/45/19/588304519.db2.gz FTYIELJDSHNLSI-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC000847036603 588304717 /nfs/dbraw/zinc/30/47/17/588304717.db2.gz PGTJLYBFJWPQPP-ZIAGYGMSSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CCCCN1CC[NH+](C(C)(C)CC)CC1 ZINC000847039697 588304810 /nfs/dbraw/zinc/30/48/10/588304810.db2.gz GXCMBVLBQZFZJY-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000847079588 588305978 /nfs/dbraw/zinc/30/59/78/588305978.db2.gz MHZXJFUJDPSNKC-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)CS1 ZINC000848548336 588395632 /nfs/dbraw/zinc/39/56/32/588395632.db2.gz VEUVPSJDXGHFHB-MFKMUULPSA-N 1 0 247.367 2.327 20 30 BEEDRO C=CCCc1noc([C@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000848629874 588402651 /nfs/dbraw/zinc/40/26/51/588402651.db2.gz GLYHAACJABUKIG-MFKMUULPSA-N 1 0 233.315 2.045 20 30 BEEDRO C=CCCc1noc([C@@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000848629873 588402736 /nfs/dbraw/zinc/40/27/36/588402736.db2.gz GLYHAACJABUKIG-GXFFZTMASA-N 1 0 233.315 2.045 20 30 BEEDRO C=CC[N@H+](Cc1cnc(Cl)n1C)C(C)C ZINC000848882067 588416017 /nfs/dbraw/zinc/41/60/17/588416017.db2.gz LDSGWKYESLEOFD-UHFFFAOYSA-N 1 0 227.739 2.470 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2conc2CC)C1 ZINC000848924000 588418297 /nfs/dbraw/zinc/41/82/97/588418297.db2.gz MDFLKXLAWIIKNJ-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2OC)C1 ZINC000848923407 588421490 /nfs/dbraw/zinc/42/14/90/588421490.db2.gz DJPHWZKZPPEHSN-GFCCVEGCSA-N 1 0 245.322 2.246 20 30 BEEDRO CCCCCCCCNC(=[NH2+])NCCOC ZINC000848980574 588422867 /nfs/dbraw/zinc/42/28/67/588422867.db2.gz HKZNMNCJVUSYCQ-UHFFFAOYSA-N 1 0 229.368 2.107 20 30 BEEDRO Cc1ccc(CCCNC2=[NH+]CCN2C)c(C)c1 ZINC000848982752 588424448 /nfs/dbraw/zinc/42/44/48/588424448.db2.gz KXCLSJJMEBXSFJ-UHFFFAOYSA-N 1 0 245.370 2.127 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(C#N)c(Cl)c1 ZINC000848988656 588426117 /nfs/dbraw/zinc/42/61/17/588426117.db2.gz VLJCSJMEHHEVHF-UHFFFAOYSA-N 1 0 248.717 2.012 20 30 BEEDRO N#CCCCCNC(=[NH2+])N1CCCCCC1 ZINC000849003182 588431375 /nfs/dbraw/zinc/43/13/75/588431375.db2.gz RVXQNFXLHVTYFQ-UHFFFAOYSA-N 1 0 222.336 2.081 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCCCCc2ccccc2)N1 ZINC000849001948 588431405 /nfs/dbraw/zinc/43/14/05/588431405.db2.gz CRFZPMWSYVTPHZ-CYBMUJFWSA-N 1 0 245.370 2.337 20 30 BEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@H](C)C#N ZINC000849004022 588431820 /nfs/dbraw/zinc/43/18/20/588431820.db2.gz USIMSEYFSIGTAJ-VXGBXAGGSA-N 1 0 238.379 2.475 20 30 BEEDRO C#CCCCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849010955 588435248 /nfs/dbraw/zinc/43/52/48/588435248.db2.gz DHPOJJGMUAKKQN-UHFFFAOYSA-N 1 0 229.327 2.022 20 30 BEEDRO C=CCNC(=[NH2+])NCc1c(C)cccc1C ZINC000849013367 588436038 /nfs/dbraw/zinc/43/60/38/588436038.db2.gz JHIMIMOZNRNFHH-UHFFFAOYSA-N 1 0 217.316 2.103 20 30 BEEDRO C=CCNC(=[NH2+])NCC[C@@H](OC)C(CC)CC ZINC000849014242 588436103 /nfs/dbraw/zinc/43/61/03/588436103.db2.gz QYJBSIPUOTUCAM-GFCCVEGCSA-N 1 0 241.379 2.128 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC(C)(C)C#N ZINC000849017490 588437534 /nfs/dbraw/zinc/43/75/34/588437534.db2.gz ZXJWISFHSASVLM-UHFFFAOYSA-N 1 0 224.352 2.230 20 30 BEEDRO C#C[C@@H](C)NC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000849020263 588438598 /nfs/dbraw/zinc/43/85/98/588438598.db2.gz KCWQHILEXRASAJ-LLVKDONJSA-N 1 0 245.326 2.432 20 30 BEEDRO CNC(NCc1cccc(C(C)C)c1)=[NH+]C ZINC000849020280 588438607 /nfs/dbraw/zinc/43/86/07/588438607.db2.gz METGATOJHJNKKL-UHFFFAOYSA-N 1 0 219.332 2.105 20 30 BEEDRO C[C@H](CCNC1=[NH+]CCN1C)CC(C)(C)C ZINC000849021092 588438916 /nfs/dbraw/zinc/43/89/16/588438916.db2.gz NWPODQHVMSVXFY-LLVKDONJSA-N 1 0 225.380 2.340 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[C@H]1C ZINC000849026405 588440767 /nfs/dbraw/zinc/44/07/67/588440767.db2.gz YQQHZIPUNXCTLP-NEPJUHHUSA-N 1 0 249.358 2.381 20 30 BEEDRO C=CCCCCCCNC(=[NH2+])N[C@H](C)COC ZINC000849027512 588440873 /nfs/dbraw/zinc/44/08/73/588440873.db2.gz FUDDRSPAKVWDOM-GFCCVEGCSA-N 1 0 241.379 2.272 20 30 BEEDRO CCCCNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026577 588441003 /nfs/dbraw/zinc/44/10/03/588441003.db2.gz KBYMPYFKKVTWPH-UHFFFAOYSA-N 1 0 236.363 2.230 20 30 BEEDRO C[NH+]=C(NC[C@H]1CCCCC1(F)F)NC1CC1 ZINC000849032353 588443459 /nfs/dbraw/zinc/44/34/59/588443459.db2.gz OQPYVAOJHLZWKQ-SECBINFHSA-N 1 0 245.317 2.139 20 30 BEEDRO CNC(NC[C@@H]1CCC[C@H]1c1ccccc1)=[NH+]C ZINC000849034091 588444339 /nfs/dbraw/zinc/44/43/39/588444339.db2.gz KZKUMPPNQGLENW-KBPBESRZSA-N 1 0 245.370 2.365 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1CNC(NC1CC1)=[NH+]C ZINC000849035812 588445153 /nfs/dbraw/zinc/44/51/53/588445153.db2.gz IUWXOTISIQQDFY-GHMZBOCLSA-N 1 0 223.364 2.140 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])N(CC)CC)c1 ZINC000849038011 588446322 /nfs/dbraw/zinc/44/63/22/588446322.db2.gz GZZDQIILLSHCSI-UHFFFAOYSA-N 1 0 229.327 2.034 20 30 BEEDRO CCC[C@@H]1CCCC[C@@H]1CNC(NC)=[NH+]C ZINC000849038307 588446345 /nfs/dbraw/zinc/44/63/45/588446345.db2.gz MVFBWEMNIHGQHZ-VXGBXAGGSA-N 1 0 225.380 2.388 20 30 BEEDRO CNC(NC[C@@H]1[C@@H](c2ccccc2)C1(C)C)=[NH+]C ZINC000849039948 588447063 /nfs/dbraw/zinc/44/70/63/588447063.db2.gz AIDZRCOOCYHAOW-CHWSQXEVSA-N 1 0 245.370 2.221 20 30 BEEDRO CC(C)(CC#N)CNC(=[NH2+])N1CCCCCC1 ZINC000849040950 588447900 /nfs/dbraw/zinc/44/79/00/588447900.db2.gz YYWKSUAFLHDECN-UHFFFAOYSA-N 1 0 236.363 2.327 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cnccc1C(C)(C)C ZINC000849041715 588448256 /nfs/dbraw/zinc/44/82/56/588448256.db2.gz LSSCMGSFVCQZIB-UHFFFAOYSA-N 1 0 246.358 2.179 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC1(C#N)CCC1 ZINC000849043752 588449093 /nfs/dbraw/zinc/44/90/93/588449093.db2.gz TZBGWPCFCQOIEX-UHFFFAOYSA-N 1 0 236.363 2.375 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CC2CCC1CC2)NC1CC1 ZINC000849044776 588449428 /nfs/dbraw/zinc/44/94/28/588449428.db2.gz FVLQICOKLCZXNQ-MCIGGMRASA-N 1 0 235.375 2.140 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CCCCC1)c1ccccc1 ZINC000849045745 588449964 /nfs/dbraw/zinc/44/99/64/588449964.db2.gz PNZXKRZATCMQFD-AWEZNQCLSA-N 1 0 241.338 2.371 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1C ZINC000849047114 588450435 /nfs/dbraw/zinc/45/04/35/588450435.db2.gz QTPRCQOZCLWTLP-QWHCGFSZSA-N 1 0 229.327 2.151 20 30 BEEDRO C=CCCCCCNC1=[NH+]CCCN1C ZINC000849048353 588451137 /nfs/dbraw/zinc/45/11/37/588451137.db2.gz ANFPYZYZIWXNNO-UHFFFAOYSA-N 1 0 209.337 2.014 20 30 BEEDRO C=CCCCCCNC(=[NH2+])NC1CCC1 ZINC000849048385 588451180 /nfs/dbraw/zinc/45/11/80/588451180.db2.gz CELHQAZPAKOVNP-UHFFFAOYSA-N 1 0 209.337 2.399 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000849101355 588452848 /nfs/dbraw/zinc/45/28/48/588452848.db2.gz QHEGPMFODSSDIR-UHFFFAOYSA-N 1 0 239.706 2.384 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000849326526 588472944 /nfs/dbraw/zinc/47/29/44/588472944.db2.gz FTQIEEXAKFLPMH-CYBMUJFWSA-N 1 0 223.291 2.333 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)c1ccccc1C ZINC000849328477 588473215 /nfs/dbraw/zinc/47/32/15/588473215.db2.gz LRMWBGQHCAMHLX-ZDUSSCGKSA-N 1 0 205.301 2.194 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CC[C@H](C)C2)nn1 ZINC000850266833 588533997 /nfs/dbraw/zinc/53/39/97/588533997.db2.gz JUSBOCCDMOSSKN-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000850377375 588540438 /nfs/dbraw/zinc/54/04/38/588540438.db2.gz CMJCAFMOUMSNKE-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000850445863 588547265 /nfs/dbraw/zinc/54/72/65/588547265.db2.gz XEEWXCRUTPABEA-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](CO)CC2CC2)cc1 ZINC000850388147 588543222 /nfs/dbraw/zinc/54/32/22/588543222.db2.gz IOMTULISHIRIRV-MRXNPFEDSA-N 1 0 243.350 2.166 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC000850438713 588546411 /nfs/dbraw/zinc/54/64/11/588546411.db2.gz HZBJEJWVTBIZLA-GFCCVEGCSA-N 1 0 239.359 2.357 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCSCC2)nc1 ZINC000850463476 588548020 /nfs/dbraw/zinc/54/80/20/588548020.db2.gz UQJXWHDFSVDNHX-GFCCVEGCSA-N 1 0 247.367 2.329 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCSCC1)[C@@H]1CCCO1 ZINC000850461993 588548490 /nfs/dbraw/zinc/54/84/90/588548490.db2.gz NSNUPIKGBJXYEN-AGIUHOORSA-N 1 0 239.384 2.043 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000850531233 588557924 /nfs/dbraw/zinc/55/79/24/588557924.db2.gz IFWZIQLTGMWMIH-CYBMUJFWSA-N 1 0 239.359 2.128 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851649316 588613201 /nfs/dbraw/zinc/61/32/01/588613201.db2.gz VTBZQZIWDHQEIY-VXGBXAGGSA-N 1 0 244.354 2.245 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC000851712813 588615996 /nfs/dbraw/zinc/61/59/96/588615996.db2.gz ULJGZBOYKDHAGY-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000851727551 588618340 /nfs/dbraw/zinc/61/83/40/588618340.db2.gz QSPOBHHAEIDJPG-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+](Cc1ccco1)C(C)C ZINC000851739005 588620846 /nfs/dbraw/zinc/62/08/46/588620846.db2.gz ZOWAZENZPWOCGA-UHFFFAOYSA-N 1 0 221.300 2.140 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(C#N)CC2)C1 ZINC000851739678 588620985 /nfs/dbraw/zinc/62/09/85/588620985.db2.gz DVXRSWOEDZISBV-ZIAGYGMSSA-N 1 0 249.402 2.200 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000851739152 588620997 /nfs/dbraw/zinc/62/09/97/588620997.db2.gz DITHINIKLHCUHQ-HNNXBMFYSA-N 1 0 229.323 2.126 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)[C@H]1CC[C@@H](OC)C1 ZINC000851741202 588621206 /nfs/dbraw/zinc/62/12/06/588621206.db2.gz BRVHXTROZMMSBP-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000851745919 588621879 /nfs/dbraw/zinc/62/18/79/588621879.db2.gz ODORKEYILHANRZ-OAHLLOKOSA-N 1 0 243.350 2.434 20 30 BEEDRO C=CCCC[N@@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851777975 588626876 /nfs/dbraw/zinc/62/68/76/588626876.db2.gz BGVBUDPLGBTFDN-GFCCVEGCSA-N 1 0 227.348 2.426 20 30 BEEDRO C#CCOCC[N@H+]1CCCC(C)(C)CC1 ZINC000851783022 588627920 /nfs/dbraw/zinc/62/79/20/588627920.db2.gz HDYFIYDYTJOQFD-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000851786379 588628670 /nfs/dbraw/zinc/62/86/70/588628670.db2.gz ZQJRKMCYTOWUCK-RDBSUJKOSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCOCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000851786377 588628684 /nfs/dbraw/zinc/62/86/84/588628684.db2.gz ZQJRKMCYTOWUCK-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H](OC)C1CCCCC1 ZINC000851793760 588629329 /nfs/dbraw/zinc/62/93/29/588629329.db2.gz IWCMPQVOIVKQJG-OAHLLOKOSA-N 1 0 233.355 2.150 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000851800520 588630645 /nfs/dbraw/zinc/63/06/45/588630645.db2.gz KRGLTDOYSGXDQK-CQSZACIVSA-N 1 0 215.296 2.083 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000851841622 588634456 /nfs/dbraw/zinc/63/44/56/588634456.db2.gz LLLVPFFCRUUBGA-LBPRGKRZSA-N 1 0 233.311 2.035 20 30 BEEDRO C#CCOCC[NH2+][C@@](C)(CC)c1nccs1 ZINC000851847716 588634653 /nfs/dbraw/zinc/63/46/53/588634653.db2.gz HRNLQAAYZMUPAP-LBPRGKRZSA-N 1 0 238.356 2.008 20 30 BEEDRO C#CCCN1CC[NH+](CC(CC)CC)CC1 ZINC000851873056 588637680 /nfs/dbraw/zinc/63/76/80/588637680.db2.gz PLVKUNAQWVGKAC-UHFFFAOYSA-N 1 0 222.376 2.064 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1 ZINC000851900388 588641703 /nfs/dbraw/zinc/64/17/03/588641703.db2.gz CJVQELMSCPDJGQ-UONOGXRCSA-N 1 0 243.306 2.046 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H](COC)OC)c1ccccc1 ZINC000851902745 588642044 /nfs/dbraw/zinc/64/20/44/588642044.db2.gz SMTLLDHLSQZSJI-HUUCEWRRSA-N 1 0 247.338 2.002 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH+]2CCC(CC#N)CC2)C1 ZINC000851918762 588643627 /nfs/dbraw/zinc/64/36/27/588643627.db2.gz CZXSNMCCIRLEOC-CHWSQXEVSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000851920820 588643714 /nfs/dbraw/zinc/64/37/14/588643714.db2.gz SGJCLUJLEZHZAR-MELADBBJSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000851935414 588645655 /nfs/dbraw/zinc/64/56/55/588645655.db2.gz UXLAKFGZLKFBBI-HIFRSBDPSA-N 1 0 244.338 2.114 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000851977241 588650600 /nfs/dbraw/zinc/65/06/00/588650600.db2.gz UUWFOBDGQWWSBU-UPJWGTAASA-N 1 0 209.333 2.003 20 30 BEEDRO C#CC(C)(C)N(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000851986235 588651659 /nfs/dbraw/zinc/65/16/59/588651659.db2.gz GECYUDFCOJSVOT-OKILXGFUSA-N 1 0 236.403 2.308 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000851990140 588652022 /nfs/dbraw/zinc/65/20/22/588652022.db2.gz OKGOMIFWOIWNQK-WCQYABFASA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](CC(C)C)OC ZINC000852103367 588661034 /nfs/dbraw/zinc/66/10/34/588661034.db2.gz FTAOUBBAPAADPU-STQMWFEESA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCCCCCC ZINC000852096402 588661969 /nfs/dbraw/zinc/66/19/69/588661969.db2.gz BGTPUZKFADSIBZ-CQSZACIVSA-N 1 0 238.375 2.074 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)OCCCC ZINC000852098872 588662366 /nfs/dbraw/zinc/66/23/66/588662366.db2.gz YEHWQOJLPKJOME-CYBMUJFWSA-N 1 0 225.332 2.111 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000852099760 588662558 /nfs/dbraw/zinc/66/25/58/588662558.db2.gz PMRWPTKAFLUMJP-CQSZACIVSA-N 1 0 249.310 2.266 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccnc(N(C)C)c1 ZINC000852100787 588662580 /nfs/dbraw/zinc/66/25/80/588662580.db2.gz IZZBPQKARUNIDA-AWEZNQCLSA-N 1 0 231.343 2.039 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000852099912 588662768 /nfs/dbraw/zinc/66/27/68/588662768.db2.gz RLWSJCOYHHHDQP-AWEZNQCLSA-N 1 0 249.310 2.266 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(OCC)n1 ZINC000852102109 588663211 /nfs/dbraw/zinc/66/32/11/588663211.db2.gz VWFYESBPLXMOTA-AWEZNQCLSA-N 1 0 232.327 2.372 20 30 BEEDRO C#CCOCC[NH+]1CCCCCCCC1 ZINC000852141366 588666985 /nfs/dbraw/zinc/66/69/85/588666985.db2.gz ULFCJCZRRCHOBW-UHFFFAOYSA-N 1 0 209.333 2.292 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](CC(C)(C)C)C1 ZINC000852150160 588667470 /nfs/dbraw/zinc/66/74/70/588667470.db2.gz QYRBJZUCBWSERY-ZDUSSCGKSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000852149476 588667472 /nfs/dbraw/zinc/66/74/72/588667472.db2.gz IRTBFXKNEBWNSS-MELADBBJSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCOCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000852157149 588667746 /nfs/dbraw/zinc/66/77/46/588667746.db2.gz FKPYHRDIUIQXFC-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCOCC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000852157147 588667879 /nfs/dbraw/zinc/66/78/79/588667879.db2.gz FKPYHRDIUIQXFC-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCOCC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000852157144 588667932 /nfs/dbraw/zinc/66/79/32/588667932.db2.gz FKPYHRDIUIQXFC-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCOCC[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000852208979 588672083 /nfs/dbraw/zinc/67/20/83/588672083.db2.gz LIJIHAPMZFUCBF-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000852215881 588673297 /nfs/dbraw/zinc/67/32/97/588673297.db2.gz PVTSODPWPLENGH-NSHDSACASA-N 1 0 230.311 2.397 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC(=O)O1 ZINC000852302694 588677513 /nfs/dbraw/zinc/67/75/13/588677513.db2.gz FIMRRUQNBAURPA-JHJVBQTASA-N 1 0 237.343 2.417 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1OCCO1 ZINC000852303724 588677696 /nfs/dbraw/zinc/67/76/96/588677696.db2.gz XZVXZWGYCVFGQL-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[N@@H+](CCC(=O)C(C)C)[C@H](C)COC ZINC000852356743 588679740 /nfs/dbraw/zinc/67/97/40/588679740.db2.gz MZYZUHRHTXTJIO-GFCCVEGCSA-N 1 0 227.348 2.125 20 30 BEEDRO C#CCOCC[N@H+]1CCc2ccc(C)cc2C1 ZINC000852404955 588680786 /nfs/dbraw/zinc/68/07/86/588680786.db2.gz XNYLZVUJUWGAPZ-UHFFFAOYSA-N 1 0 229.323 2.003 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCC(OC)OC)C1 ZINC000852410270 588681326 /nfs/dbraw/zinc/68/13/26/588681326.db2.gz KWNOBHIIDDFTGE-GFCCVEGCSA-N 1 0 227.348 2.284 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000852495379 588685251 /nfs/dbraw/zinc/68/52/51/588685251.db2.gz JKLPZFALRVWQDL-MELADBBJSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCN(CC[NH+]1CCCC1)C(C)(C)C ZINC000852553738 588689507 /nfs/dbraw/zinc/68/95/07/588689507.db2.gz UULAEMQJGRIOCY-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C[C@@H](O)[C@H]1CCCN1Cc1ccc(F)cc1C#N ZINC000852559520 588690318 /nfs/dbraw/zinc/69/03/18/588690318.db2.gz JEQRHMFCIGRZFW-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000852561600 588690804 /nfs/dbraw/zinc/69/08/04/588690804.db2.gz QIXCQCJVBUYCEC-CABCVRRESA-N 1 0 245.370 2.134 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](O)C2CC2)CCCC1 ZINC000852588472 588691696 /nfs/dbraw/zinc/69/16/96/588691696.db2.gz SRMVKFCHGUMLAM-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO C#CCC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000852591908 588692391 /nfs/dbraw/zinc/69/23/91/588692391.db2.gz BKSHKTSWYZUKGG-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCCCCCCO)C1 ZINC000852684518 588694166 /nfs/dbraw/zinc/69/41/66/588694166.db2.gz IKGIKTBJOFLFEW-ZDUSSCGKSA-N 1 0 224.348 2.165 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)cn1 ZINC000852686542 588695982 /nfs/dbraw/zinc/69/59/82/588695982.db2.gz WUZJDUGWQDGQMA-OKILXGFUSA-N 1 0 229.327 2.468 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2ccc3c(c2)COC3)C1 ZINC000852685727 588696025 /nfs/dbraw/zinc/69/60/25/588696025.db2.gz CPFPIJUGNTVQCT-OAHLLOKOSA-N 1 0 242.322 2.452 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CC2(CC2)C(=O)O1 ZINC000852688438 588696522 /nfs/dbraw/zinc/69/65/22/588696522.db2.gz UDOVTBBYFYYDFA-XQQFMLRXSA-N 1 0 247.338 2.265 20 30 BEEDRO C=C(Cl)CN[C@@H](CO)c1ccc(F)cc1F ZINC000852712476 588697304 /nfs/dbraw/zinc/69/73/04/588697304.db2.gz PVJRSXJOPNWSAU-NSHDSACASA-N 1 0 247.672 2.340 20 30 BEEDRO C#CCC[NH+]1CCN(c2ccc(C)cc2C)CC1 ZINC000852744428 588698991 /nfs/dbraw/zinc/69/89/91/588698991.db2.gz CILJAPXKRCMOIL-UHFFFAOYSA-N 1 0 242.366 2.449 20 30 BEEDRO C#CCC[N@@H+](CCCCC=C)CCOC ZINC000852748594 588699620 /nfs/dbraw/zinc/69/96/20/588699620.db2.gz DSZNMGZJEGVBEL-UHFFFAOYSA-N 1 0 209.333 2.314 20 30 BEEDRO CC12CC(C1)C[N@@H+]2C[C@H](O)c1ccc(C#N)cc1 ZINC000852786451 588702706 /nfs/dbraw/zinc/70/27/06/588702706.db2.gz WMDNJRJDAOTBCQ-BLZCZZARSA-N 1 0 242.322 2.076 20 30 BEEDRO CCCCCCCNC(=O)NCC1([NH3+])CCC1 ZINC000861640535 589172130 /nfs/dbraw/zinc/17/21/30/589172130.db2.gz DPCREANXHOBGDM-UHFFFAOYSA-N 1 0 241.379 2.137 20 30 BEEDRO CCCCCCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000861642654 589172482 /nfs/dbraw/zinc/17/24/82/589172482.db2.gz FEDATEIPMLPZHX-GFCCVEGCSA-N 1 0 243.395 2.254 20 30 BEEDRO CCCCCCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000861648452 589172835 /nfs/dbraw/zinc/17/28/35/589172835.db2.gz WQLXUZZDIIUPJV-VXGBXAGGSA-N 1 0 243.395 2.382 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc2n[nH]cc21 ZINC000862348572 589202005 /nfs/dbraw/zinc/20/20/05/589202005.db2.gz BSDAGAMSMKJVNX-JTQLQIEISA-N 1 0 213.284 2.016 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCCCCCC ZINC000862357210 589202861 /nfs/dbraw/zinc/20/28/61/589202861.db2.gz PVDIWAGLAUOIPA-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000862362717 589203907 /nfs/dbraw/zinc/20/39/07/589203907.db2.gz DKGZYIQHLHSJMZ-OLZOCXBDSA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2n[nH]cc21)C(C)C ZINC000862362534 589203932 /nfs/dbraw/zinc/20/39/32/589203932.db2.gz ATUNMVBKFDUBRY-ZDUSSCGKSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862362524 589203982 /nfs/dbraw/zinc/20/39/82/589203982.db2.gz AOERZVUYEAIKMF-SCZZXKLOSA-N 1 0 201.260 2.422 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000862362704 589204116 /nfs/dbraw/zinc/20/41/16/589204116.db2.gz CYRAULXYCPKJSZ-OTTFEQOBSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)o1)C(C)C ZINC000862363395 589204226 /nfs/dbraw/zinc/20/42/26/589204226.db2.gz OYNJSYHUILQEDQ-GFCCVEGCSA-N 1 0 218.300 2.299 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@]1(C)CCCS1 ZINC000862418287 589205665 /nfs/dbraw/zinc/20/56/65/589205665.db2.gz LUZSGHROKCGQNE-ZDUSSCGKSA-N 1 0 241.400 2.244 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(C)o2)C1 ZINC000862400201 589209194 /nfs/dbraw/zinc/20/91/94/589209194.db2.gz PTWUCTGWRBRCGU-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000862419001 589212062 /nfs/dbraw/zinc/21/20/62/589212062.db2.gz MVZPXGTZSZSUSM-MEYUZBJRSA-N 1 0 247.382 2.439 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(Cl)n2C)C1 ZINC000862441050 589212868 /nfs/dbraw/zinc/21/28/68/589212868.db2.gz NUWMXZORLLVATA-SNVBAGLBSA-N 1 0 239.750 2.472 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnn(C)c2Cl)C1 ZINC000862440025 589212924 /nfs/dbraw/zinc/21/29/24/589212924.db2.gz DRGFEPCAZLNXKR-JTQLQIEISA-N 1 0 239.750 2.472 20 30 BEEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862441758 589213457 /nfs/dbraw/zinc/21/34/57/589213457.db2.gz VPBDXZRYCZIROP-OKILXGFUSA-N 1 0 227.307 2.150 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000862444600 589214095 /nfs/dbraw/zinc/21/40/95/589214095.db2.gz CZWNOXIBOICMSG-LLVKDONJSA-N 1 0 246.379 2.477 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cccc3nccn32)C1 ZINC000862444638 589214429 /nfs/dbraw/zinc/21/44/29/589214429.db2.gz DUTFLIAPCOASQR-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000862444773 589214570 /nfs/dbraw/zinc/21/45/70/589214570.db2.gz HBDDBEAAGXFXTH-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cccc3nccn32)C1 ZINC000862444639 589214582 /nfs/dbraw/zinc/21/45/82/589214582.db2.gz DUTFLIAPCOASQR-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000862444899 589214599 /nfs/dbraw/zinc/21/45/99/589214599.db2.gz ILHNSBXKQWNUPF-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000862448046 589215372 /nfs/dbraw/zinc/21/53/72/589215372.db2.gz VXCNGWMWIZXROC-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000862448470 589215412 /nfs/dbraw/zinc/21/54/12/589215412.db2.gz ZGEGWAPLXABLJX-CYBMUJFWSA-N 1 0 243.354 2.138 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cncn2C(C)C)C1 ZINC000862448080 589215420 /nfs/dbraw/zinc/21/54/20/589215420.db2.gz WPIGQUSZGBIPJE-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CC(C)(C)C1 ZINC000862548337 589218084 /nfs/dbraw/zinc/21/80/84/589218084.db2.gz CWCUYJDGCSIJCO-NSHDSACASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]CC(CC)CC ZINC000862547627 589219933 /nfs/dbraw/zinc/21/99/33/589219933.db2.gz LBUTYXZIWYRBMD-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CC(C)(C)C1 ZINC000862548336 589220154 /nfs/dbraw/zinc/22/01/54/589220154.db2.gz CWCUYJDGCSIJCO-LLVKDONJSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CC1CC1 ZINC000862547591 589219962 /nfs/dbraw/zinc/21/99/62/589219962.db2.gz KFHVLBAARUACEW-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CCC1CC1 ZINC000862549183 589220317 /nfs/dbraw/zinc/22/03/17/589220317.db2.gz WSARYQWZOIPNQV-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CC(CF)(CF)C1 ZINC000862549074 589220452 /nfs/dbraw/zinc/22/04/52/589220452.db2.gz UQWLRALMHCBRPX-LLVKDONJSA-N 1 0 245.313 2.092 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cnc(C2CC2)o1 ZINC000862548537 589220498 /nfs/dbraw/zinc/22/04/98/589220498.db2.gz HUQPTJCTCMSJMH-GFCCVEGCSA-N 1 0 248.326 2.070 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000862548815 589220569 /nfs/dbraw/zinc/22/05/69/589220569.db2.gz OIQGPNZAFSXTRN-RDBSUJKOSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000862550236 589220717 /nfs/dbraw/zinc/22/07/17/589220717.db2.gz KHZBKLBDKXPBTP-FRRDWIJNSA-N 1 0 209.333 2.049 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(OC)c1C ZINC000862776687 589241257 /nfs/dbraw/zinc/24/12/57/589241257.db2.gz LYMVAWNAZZIRBF-UHFFFAOYSA-N 1 0 248.326 2.060 20 30 BEEDRO C#CCSCC[NH2+][C@@H](CCCC)COC ZINC000119102887 589242228 /nfs/dbraw/zinc/24/22/28/589242228.db2.gz TUPSHNFGYMHTOG-LBPRGKRZSA-N 1 0 229.389 2.148 20 30 BEEDRO CCOCCO[NH+]=C(CC)c1ccc(N)cc1 ZINC000863108001 589257114 /nfs/dbraw/zinc/25/71/14/589257114.db2.gz HPKMVARQQGBHCD-UHFFFAOYSA-N 1 0 236.315 2.436 20 30 BEEDRO Cc1cccc(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)n1 ZINC000863159927 589264531 /nfs/dbraw/zinc/26/45/31/589264531.db2.gz KKVWWTOZFBBBCD-LLVKDONJSA-N 1 0 244.342 2.415 20 30 BEEDRO Cc1cc(NN=Cc2cnc(C3CC3)o2)cc[nH+]1 ZINC000863160395 589265150 /nfs/dbraw/zinc/26/51/50/589265150.db2.gz BZRSNYSLNQZLSW-UHFFFAOYSA-N 1 0 242.282 2.123 20 30 BEEDRO c1cnn([NH+]=C2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000863163814 589266318 /nfs/dbraw/zinc/26/63/18/589266318.db2.gz PTVQCZGVVRDTPD-RYUDHWBXSA-N 1 0 233.315 2.314 20 30 BEEDRO C=CCCON=C(N)C1(OC)CCCC1 ZINC000863479003 589292007 /nfs/dbraw/zinc/29/20/07/589292007.db2.gz ZGIFNADRSIZCQK-UHFFFAOYSA-N 1 0 212.293 2.020 20 30 BEEDRO C=CCOc1cccc(CN(C)C[C@@H](C)[NH3+])c1 ZINC000863654275 589308332 /nfs/dbraw/zinc/30/83/32/589308332.db2.gz VRLOXDYNJNTXKM-GFCCVEGCSA-N 1 0 234.343 2.030 20 30 BEEDRO CCC(C#N)(CC)c1nc([C@H]([NH3+])C(C)C)no1 ZINC000863657514 589308457 /nfs/dbraw/zinc/30/84/57/589308457.db2.gz TXAGDPKNZVUQER-SECBINFHSA-N 1 0 236.319 2.307 20 30 BEEDRO CC#Cc1cccc(-c2cnn(CC[NH2+]C)c2)c1 ZINC000863692379 589310914 /nfs/dbraw/zinc/31/09/14/589310914.db2.gz XGMRSUBFXQZHLC-UHFFFAOYSA-N 1 0 239.322 2.141 20 30 BEEDRO C#CCn1cc(-c2cccc(C[NH+](C)C)c2)cn1 ZINC000863691585 589311036 /nfs/dbraw/zinc/31/10/36/589311036.db2.gz HLSLQSRTYNVBHN-UHFFFAOYSA-N 1 0 239.322 2.245 20 30 BEEDRO CCC(CC)(CNC(NC)=[NH+]C)C(F)(F)F ZINC000864357969 589355625 /nfs/dbraw/zinc/35/56/25/589355625.db2.gz BUOCLZLXZDMRRL-UHFFFAOYSA-N 1 0 239.285 2.150 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865415258 589434351 /nfs/dbraw/zinc/43/43/51/589434351.db2.gz YIUNNSIGSMVHAE-DGCLKSJQSA-N 1 0 243.354 2.370 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865448611 589436779 /nfs/dbraw/zinc/43/67/79/589436779.db2.gz JZGXIIAPOGPFPZ-UHFFFAOYSA-N 1 0 245.282 2.317 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865477309 589439718 /nfs/dbraw/zinc/43/97/18/589439718.db2.gz CGSYLNZOMXCJDK-UHFFFAOYSA-N 1 0 241.338 2.127 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865558530 589446386 /nfs/dbraw/zinc/44/63/86/589446386.db2.gz SDVURKCTVDJBLV-UHFFFAOYSA-N 1 0 218.256 2.199 20 30 BEEDRO Cc1cc(C#N)cc(NCC[N@H+]2CCC[C@H]2C)n1 ZINC000865564528 589446875 /nfs/dbraw/zinc/44/68/75/589446875.db2.gz OGQIZOCFALEZAB-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO CCCn1cc(C[NH2+]CC(C)(C)CCC#N)nn1 ZINC000865569004 589447526 /nfs/dbraw/zinc/44/75/26/589447526.db2.gz HMVJCHQKCZFMIC-UHFFFAOYSA-N 1 0 249.362 2.108 20 30 BEEDRO C[C@H](O)c1ccc(N2CCC(CC#N)CC2)nc1 ZINC000865668153 589455474 /nfs/dbraw/zinc/45/54/74/589455474.db2.gz CRJQSRCMJSOPPX-NSHDSACASA-N 1 0 245.326 2.265 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccncc1)C2 ZINC000865847916 589464837 /nfs/dbraw/zinc/46/48/37/589464837.db2.gz JTEKMCDDNLYLSH-INIZCTEOSA-N 1 0 249.317 2.210 20 30 BEEDRO CC(C)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000865848902 589464990 /nfs/dbraw/zinc/46/49/90/589464990.db2.gz QNBHZODPUJRBRX-CQSZACIVSA-N 1 0 214.312 2.271 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000865858228 589465230 /nfs/dbraw/zinc/46/52/30/589465230.db2.gz ALQNNGBSYQIJCR-CABCVRRESA-N 1 0 242.322 2.359 20 30 BEEDRO C#CC[NH2+][C@@H](CC)c1cccc(OC)c1OC ZINC000866215308 589481304 /nfs/dbraw/zinc/48/13/04/589481304.db2.gz ISKHHNYTBQYXCO-LBPRGKRZSA-N 1 0 233.311 2.378 20 30 BEEDRO C#CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866274707 589483975 /nfs/dbraw/zinc/48/39/75/589483975.db2.gz QZMOZXGDINFXMA-UONOGXRCSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCc1cccnc1 ZINC000866368056 589488591 /nfs/dbraw/zinc/48/85/91/589488591.db2.gz VHBGTWWKEDSXQR-CFVMTHIKSA-N 1 0 246.354 2.336 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)C1 ZINC000866444694 589492841 /nfs/dbraw/zinc/49/28/41/589492841.db2.gz JZCWWUDNFBIOJE-SRGUQECISA-N 1 0 246.354 2.082 20 30 BEEDRO CC1(C)CC[C@@H](O)[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000866453059 589494308 /nfs/dbraw/zinc/49/43/08/589494308.db2.gz QMVYIDGGUGZKHV-FDYHWXHSSA-N 1 0 236.359 2.208 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000866472673 589495034 /nfs/dbraw/zinc/49/50/34/589495034.db2.gz CQUYOQIGHPSKNB-CMPLNLGQSA-N 1 0 233.290 2.393 20 30 BEEDRO CCCCC[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000866591995 589500770 /nfs/dbraw/zinc/50/07/70/589500770.db2.gz QRDKGJWFBAKAJY-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCSC1)C2 ZINC000866616348 589504809 /nfs/dbraw/zinc/50/48/09/589504809.db2.gz XHNZBKQZGPYLFH-UONOGXRCSA-N 1 0 244.363 2.121 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617513 589505542 /nfs/dbraw/zinc/50/55/42/589505542.db2.gz KNWSFMOCXIPTQS-RWSFTLGLSA-N 1 0 244.338 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)C2CCCC2)C1 ZINC000866638017 589506647 /nfs/dbraw/zinc/50/66/47/589506647.db2.gz CHAPNWCENUGDDX-BNOWGMLFSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(Cl)CN1CCOc2cc(N)ccc2C1 ZINC000866688867 589512330 /nfs/dbraw/zinc/51/23/30/589512330.db2.gz BAQLSKFOHYWTDW-UHFFFAOYSA-N 1 0 238.718 2.216 20 30 BEEDRO C=CCC(C)(C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870547749 589673265 /nfs/dbraw/zinc/67/32/65/589673265.db2.gz JVSVTAXGMQTJNS-LLVKDONJSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CCCCCC(=O)O[C@@H](CC)C[NH+](C)C ZINC000870549927 589674457 /nfs/dbraw/zinc/67/44/57/589674457.db2.gz KJJYNVHIKWCSGW-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CCCCC(=O)O[C@@H](CC)C[NH+](C)C ZINC000870549783 589674531 /nfs/dbraw/zinc/67/45/31/589674531.db2.gz HFIFTBBYUUOIKF-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO CNC(NCc1cccc(OC(C)(C)C)c1)=[NH+]C ZINC000871603597 589774001 /nfs/dbraw/zinc/77/40/01/589774001.db2.gz YUUXADOBQHVAAW-UHFFFAOYSA-N 1 0 249.358 2.159 20 30 BEEDRO N#Cc1ccc(CON=C(N)C2CCC2)cc1 ZINC000871764355 589809267 /nfs/dbraw/zinc/80/92/67/589809267.db2.gz XFALEGBNECJZMV-UHFFFAOYSA-N 1 0 229.283 2.357 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H](C#N)CCC#N)CC1 ZINC000871939324 589835086 /nfs/dbraw/zinc/83/50/86/589835086.db2.gz SPMXILWMQYZQEZ-IHRRRGAJSA-N 1 0 229.327 2.212 20 30 BEEDRO C#CCOc1ccccc1C[NH+]1CCCC1 ZINC000123922530 589860599 /nfs/dbraw/zinc/86/05/99/589860599.db2.gz SLAWYVIYUJZEQK-UHFFFAOYSA-N 1 0 215.296 2.294 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)C(C)(C)CC ZINC000872056990 589861662 /nfs/dbraw/zinc/86/16/62/589861662.db2.gz BQKUDRYHTJTMPW-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCOC1 ZINC000872063719 589862443 /nfs/dbraw/zinc/86/24/43/589862443.db2.gz SKKFOYZEKLMEKE-FQUUOJAGSA-N 1 0 236.359 2.473 20 30 BEEDRO COCC(C)(C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000872104353 589872279 /nfs/dbraw/zinc/87/22/79/589872279.db2.gz BOJRENBEEHWWGC-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@H]3O2)C1 ZINC000872106094 589872679 /nfs/dbraw/zinc/87/26/79/589872679.db2.gz DVBNLOHCMVXDKX-PEBLQZBPSA-N 1 0 234.343 2.226 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2COC(C)(C)C2)CC1 ZINC000872139219 589880186 /nfs/dbraw/zinc/88/01/86/589880186.db2.gz ICWGJZKFNGLJGZ-JHJVBQTASA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000872139193 589880421 /nfs/dbraw/zinc/88/04/21/589880421.db2.gz HVWSWHIZFVSEQR-MGPQQGTHSA-N 1 0 233.355 2.480 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccnn2C)CC1 ZINC000872139161 589880620 /nfs/dbraw/zinc/88/06/20/589880620.db2.gz HCCMTZARWSTJGP-JHJVBQTASA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCn3ccnc32)CC1 ZINC000872140182 589880856 /nfs/dbraw/zinc/88/08/56/589880856.db2.gz YYBVBVBMZXDGJR-AVGNSLFASA-N 1 0 229.327 2.110 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000872140447 589881090 /nfs/dbraw/zinc/88/10/90/589881090.db2.gz NRIITCQQJZOZSE-KBUPBQIOSA-N 1 0 234.387 2.251 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CCCCO)CC1 ZINC000872140755 589881554 /nfs/dbraw/zinc/88/15/54/589881554.db2.gz XKYHIMUDXARPST-IHRRRGAJSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CCn2cccn2)CC1 ZINC000872140746 589881731 /nfs/dbraw/zinc/88/17/31/589881731.db2.gz XHHLGTGCLYMMDW-KKUMJFAQSA-N 1 0 245.370 2.443 20 30 BEEDRO C=CCCc1noc(/C=C\[C@H]2CCC[NH2+]C2)n1 ZINC000872182318 589888469 /nfs/dbraw/zinc/88/84/69/589888469.db2.gz JFNWXJGGDDDSCK-SKVAFPRGSA-N 1 0 233.315 2.201 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872220442 589896771 /nfs/dbraw/zinc/89/67/71/589896771.db2.gz ORLIWBDCDRGTIY-GFCCVEGCSA-N 1 0 243.391 2.090 20 30 BEEDRO CC[C@@H]([NH2+]CCC#N)[C@@H](O)c1ccccc1 ZINC000872252924 589900488 /nfs/dbraw/zinc/90/04/88/589900488.db2.gz WSPNNOGWVHALFS-OLZOCXBDSA-N 1 0 218.300 2.002 20 30 BEEDRO C=C(Cl)CN1CCO[C@H](C(F)F)CC1 ZINC000872269400 589903044 /nfs/dbraw/zinc/90/30/44/589903044.db2.gz XXGMIEWFVBGXBB-QMMMGPOBSA-N 1 0 225.666 2.095 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc(F)cc2)CC[N@@H+]1C ZINC000872326777 589912899 /nfs/dbraw/zinc/91/28/99/589912899.db2.gz XILIWJPOZVSECK-SECBINFHSA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@H]1C(N=Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000872341708 589914822 /nfs/dbraw/zinc/91/48/22/589914822.db2.gz HFEXLOZDTJMTAY-JTQLQIEISA-N 1 0 228.299 2.050 20 30 BEEDRO C[C@H]1C(N=Nc2ncccc2Cl)CC[N@@H+]1C ZINC000872344289 589915484 /nfs/dbraw/zinc/91/54/84/589915484.db2.gz RMLZZXPGHXXMBP-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[C@H]1C(N=Nc2c(F)cccc2F)CC[N@@H+]1C ZINC000872353175 589916943 /nfs/dbraw/zinc/91/69/43/589916943.db2.gz XROMETZNCVRPDJ-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@H]1C(N=Nc2ccc(Cl)nc2)CC[N@@H+]1C ZINC000872354136 589917084 /nfs/dbraw/zinc/91/70/84/589917084.db2.gz WSSBDHNHVHVULQ-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[NH+](C)C1(C)CCC(N=Nc2cccnn2)CC1 ZINC000872353125 589917166 /nfs/dbraw/zinc/91/71/66/589917166.db2.gz WEIKPDOVSACCAJ-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO CCNc1ccccc1C=[NH+]NCC(F)F ZINC000872354444 589917248 /nfs/dbraw/zinc/91/72/48/589917248.db2.gz TWOZBYDJZYEMNO-UHFFFAOYSA-N 1 0 227.258 2.307 20 30 BEEDRO C[C@@H](CC#N)NN=C1CCC(C)([NH+](C)C)CC1 ZINC000872357774 589917989 /nfs/dbraw/zinc/91/79/89/589917989.db2.gz KAGGQBDVLWGQFX-AMGKYWFPSA-N 1 0 236.363 2.128 20 30 BEEDRO CCNc1ccccc1C=[NH+]NC[C@H](C)C#N ZINC000872358544 589918827 /nfs/dbraw/zinc/91/88/27/589918827.db2.gz VDQNASFZJYFLJY-LLVKDONJSA-N 1 0 230.315 2.202 20 30 BEEDRO CNc1ccccc1C=[NH+]OC[C@@H]1CCOC1 ZINC000872367736 589921999 /nfs/dbraw/zinc/92/19/99/589921999.db2.gz GJJMNKUBUFSNHS-LLVKDONJSA-N 1 0 234.299 2.115 20 30 BEEDRO CC(C)c1nccnc1N=NC1CC[N@H+](C)[C@@H]1C ZINC000872371117 589923377 /nfs/dbraw/zinc/92/33/77/589923377.db2.gz JOXLHXOLVUSOLR-SNVBAGLBSA-N 1 0 247.346 2.092 20 30 BEEDRO C[NH+]1CCC(C=NOC/C=C\Cl)CC1 ZINC000872374809 589925145 /nfs/dbraw/zinc/92/51/45/589925145.db2.gz KEFQOWIEFHWSHG-VRMQQQSXSA-N 1 0 216.712 2.083 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]N[C@@H](C)C(C)(C)C ZINC000872376015 589925782 /nfs/dbraw/zinc/92/57/82/589925782.db2.gz CDPWLABCDJRKBQ-JTQLQIEISA-N 1 0 234.347 2.330 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]N[C@H](C)C(C)(C)C ZINC000872376016 589925808 /nfs/dbraw/zinc/92/58/08/589925808.db2.gz CDPWLABCDJRKBQ-SNVBAGLBSA-N 1 0 234.347 2.330 20 30 BEEDRO C=C[C@@H](C)ON=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872387513 589930586 /nfs/dbraw/zinc/93/05/86/589930586.db2.gz RQPBJJDQVAOFRV-ZYHUDNBSSA-N 1 0 240.372 2.145 20 30 BEEDRO C[NH+](C)C[C@](C)(C=NN1CCC1)c1ccccc1 ZINC000872398123 589934370 /nfs/dbraw/zinc/93/43/70/589934370.db2.gz FHRKJTIIRUWYFP-HNNXBMFYSA-N 1 0 245.370 2.197 20 30 BEEDRO C=CCOCCCNc1cc[nH+]cc1C1CC1 ZINC000872602582 589955637 /nfs/dbraw/zinc/95/56/37/589955637.db2.gz ZWKDXCBMDYBMIT-UHFFFAOYSA-N 1 0 232.327 2.386 20 30 BEEDRO C[NH2+]C1(CNc2ncccc2C#N)CCCCC1 ZINC000872629728 589957685 /nfs/dbraw/zinc/95/76/85/589957685.db2.gz OYLRQHSVEQIIIW-UHFFFAOYSA-N 1 0 244.342 2.287 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1cn[nH]c1 ZINC000873152014 589986939 /nfs/dbraw/zinc/98/69/39/589986939.db2.gz VZUXFGBZRZKCAI-UHFFFAOYSA-N 1 0 207.321 2.492 20 30 BEEDRO C=CCC1([NH2+]Cc2cnc(N)cn2)CCCC1 ZINC000873213149 589996994 /nfs/dbraw/zinc/99/69/94/589996994.db2.gz YIHIWNQCTMIKDC-UHFFFAOYSA-N 1 0 232.331 2.037 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCC[C@H]1[NH3+] ZINC000873279605 590017514 /nfs/dbraw/zinc/01/75/14/590017514.db2.gz JLFITTDJJKPGQH-VXGBXAGGSA-N 1 0 210.365 2.448 20 30 BEEDRO C=C(Br)C[NH2+]Cc1ccn(C)c1 ZINC000125007137 590112049 /nfs/dbraw/zinc/11/20/49/590112049.db2.gz QNRVMPQQUBFQOK-UHFFFAOYSA-N 1 0 229.121 2.023 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000209375048 590163546 /nfs/dbraw/zinc/16/35/46/590163546.db2.gz HJHYCAAQZWRSNY-OLZOCXBDSA-N 1 0 238.375 2.167 20 30 BEEDRO C[NH2+]Cc1ccccc1NC(=O)C#CC(C)(C)C ZINC000876509710 590204901 /nfs/dbraw/zinc/20/49/01/590204901.db2.gz NHPWFCZWUDUFBN-UHFFFAOYSA-N 1 0 244.338 2.394 20 30 BEEDRO C#CCCCCCC[N@H+]1CCCC[C@H]1CO ZINC000876526470 590208348 /nfs/dbraw/zinc/20/83/48/590208348.db2.gz VAFWPQDSGHYAQL-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1CO ZINC000876563093 590216376 /nfs/dbraw/zinc/21/63/76/590216376.db2.gz XVWGXWKLYPKHNJ-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000876594871 590219848 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ZINC000876889742 590254131 /nfs/dbraw/zinc/25/41/31/590254131.db2.gz PMXBCXNKXROKHW-GXTWGEPZSA-N 1 0 232.327 2.249 20 30 BEEDRO CC[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876887995 590254234 /nfs/dbraw/zinc/25/42/34/590254234.db2.gz LYMFXIIUITUXKC-MRVPVSSYSA-N 1 0 223.707 2.495 20 30 BEEDRO C#CCCCCCC[NH2+]CCC(=O)NC(C)C ZINC000876922594 590257267 /nfs/dbraw/zinc/25/72/67/590257267.db2.gz FCKZPPCTFHEOQD-UHFFFAOYSA-N 1 0 238.375 2.074 20 30 BEEDRO C#CCCCCCC[NH2+]CCCn1cccn1 ZINC000876920261 590257405 /nfs/dbraw/zinc/25/74/05/590257405.db2.gz LVWMTTIBXBMFCM-UHFFFAOYSA-N 1 0 233.359 2.447 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)[C@H](C)CC ZINC000876955831 590260820 /nfs/dbraw/zinc/26/08/20/590260820.db2.gz CKICSYZSWCAOIG-NXEZZACHSA-N 1 0 232.755 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](C)CC ZINC000876960645 590261667 /nfs/dbraw/zinc/26/16/67/590261667.db2.gz JBWLLUCTMWSKQQ-SCZZXKLOSA-N 1 0 232.755 2.009 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](C)COC ZINC000876987342 590265300 /nfs/dbraw/zinc/26/53/00/590265300.db2.gz UPPWNVJAMIUCFX-CYBMUJFWSA-N 1 0 211.349 2.442 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000876987656 590265307 /nfs/dbraw/zinc/26/53/07/590265307.db2.gz DFIIZZZOBHGONB-JSGCOSHPSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876991577 590266410 /nfs/dbraw/zinc/26/64/10/590266410.db2.gz ZZCADGVVGWWJMZ-QWRGUYRKSA-N 1 0 238.375 2.078 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C(C)(C)O ZINC000876996345 590266596 /nfs/dbraw/zinc/26/65/96/590266596.db2.gz UEQIPJSQOXHPBX-GFCCVEGCSA-N 1 0 211.349 2.319 20 30 BEEDRO CCN(CC[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000876996375 590267070 /nfs/dbraw/zinc/26/70/70/590267070.db2.gz RWKJQIUDMDXUNC-ZDUSSCGKSA-N 1 0 225.380 2.246 20 30 BEEDRO C#CCCCCCC[NH2+]C1CCN(CC#N)CC1 ZINC000877011431 590268841 /nfs/dbraw/zinc/26/88/41/590268841.db2.gz CMWLPBMVUJYCBJ-UHFFFAOYSA-N 1 0 247.386 2.148 20 30 BEEDRO Cc1cccc(O)c1C[NH2+]CCCCC#N ZINC000877019266 590269210 /nfs/dbraw/zinc/26/92/10/590269210.db2.gz WRAGRXBUCYGALP-UHFFFAOYSA-N 1 0 218.300 2.484 20 30 BEEDRO Cc1ccc(C[NH2+]CCCCC#N)c(O)c1 ZINC000877018818 590269561 /nfs/dbraw/zinc/26/95/61/590269561.db2.gz QXGUFNHPEGBZET-UHFFFAOYSA-N 1 0 218.300 2.484 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(O)CCC1 ZINC000877038895 590272606 /nfs/dbraw/zinc/27/26/06/590272606.db2.gz AMZNYYOJVZHWGB-UHFFFAOYSA-N 1 0 209.333 2.075 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(OC)cnc1F ZINC000877037232 590272999 /nfs/dbraw/zinc/27/29/99/590272999.db2.gz YGDIQNCMSBTWBJ-SECBINFHSA-N 1 0 224.279 2.284 20 30 BEEDRO C#CCSCC[NH2+]C[C@H](CC(C)C)OC ZINC000877048103 590274452 /nfs/dbraw/zinc/27/44/52/590274452.db2.gz IAGOASLLMCBSPE-LBPRGKRZSA-N 1 0 229.389 2.004 20 30 BEEDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877068896 590277203 /nfs/dbraw/zinc/27/72/03/590277203.db2.gz UWYHOSIYULQSBC-GXFFZTMASA-N 1 0 247.367 2.327 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877086790 590280486 /nfs/dbraw/zinc/28/04/86/590280486.db2.gz AYPNYDHBYLUYBT-QMMMGPOBSA-N 1 0 221.691 2.271 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccncc1 ZINC000877091158 590280753 /nfs/dbraw/zinc/28/07/53/590280753.db2.gz XVNFNRCQTZXKES-GFCCVEGCSA-N 1 0 217.316 2.154 20 30 BEEDRO C=C[C@H](CC(=O)N(C)C[C@H](C)[NH3+])c1ccccc1 ZINC000877106780 590285536 /nfs/dbraw/zinc/28/55/36/590285536.db2.gz ZXYZAZRHDPSKNX-QWHCGFSZSA-N 1 0 246.354 2.152 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)CC1CC1 ZINC000877117488 590288349 /nfs/dbraw/zinc/28/83/49/590288349.db2.gz DKWGVPNLJSSTOQ-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[NH2+][C@]1(C)CCOC1 ZINC000877120034 590289133 /nfs/dbraw/zinc/28/91/33/590289133.db2.gz FKPQNRXLHWMOHU-CYBMUJFWSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cnn(C)c1C ZINC000877128982 590289916 /nfs/dbraw/zinc/28/99/16/590289916.db2.gz KSECQTBVGUOSOU-UHFFFAOYSA-N 1 0 233.359 2.402 20 30 BEEDRO C#CCCCCCC[NH2+]CCN1CCCC1 ZINC000877142035 590291768 /nfs/dbraw/zinc/29/17/68/590291768.db2.gz IFJJMCUXSXTMGL-UHFFFAOYSA-N 1 0 222.376 2.256 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@](C)(CC)C1CC1 ZINC000877146404 590292219 /nfs/dbraw/zinc/29/22/19/590292219.db2.gz SELHAGGWVWMKJY-JQWIXIFHSA-N 1 0 244.766 2.151 20 30 BEEDRO C[C@H]1CCCN1CC[NH2+]C1CCC(C#N)CC1 ZINC000877153401 590293038 /nfs/dbraw/zinc/29/30/38/590293038.db2.gz HVIXWQXAHGKCHC-HSBZDZAISA-N 1 0 235.375 2.143 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@@H](C)[S@@](C)=O ZINC000877162301 590294497 /nfs/dbraw/zinc/29/44/97/590294497.db2.gz XNWKUOVPOPBYHE-CZUORRHYSA-N 1 0 243.416 2.317 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)Cc1cn(C)nn1 ZINC000877192496 590299238 /nfs/dbraw/zinc/29/92/38/590299238.db2.gz MCONRZMLRDSBJD-UHFFFAOYSA-N 1 0 248.374 2.221 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccsc1C ZINC000877197013 590300250 /nfs/dbraw/zinc/30/02/50/590300250.db2.gz NADCZUOBKMEMGW-MRVPVSSYSA-N 1 0 244.747 2.465 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877279359 590306150 /nfs/dbraw/zinc/30/61/50/590306150.db2.gz QTIKWTGLEULUGV-UONOGXRCSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000877303093 590309725 /nfs/dbraw/zinc/30/97/25/590309725.db2.gz AQJQXMSFEUBYKJ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000877303773 590310593 /nfs/dbraw/zinc/31/05/93/590310593.db2.gz LWBQRVWOCLRWDM-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000877303200 590310605 /nfs/dbraw/zinc/31/06/05/590310605.db2.gz DAFSYZPSSIACNC-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000877304187 590311091 /nfs/dbraw/zinc/31/10/91/590311091.db2.gz UMCARXYDOURPKX-QWRGUYRKSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000877303776 590311144 /nfs/dbraw/zinc/31/11/44/590311144.db2.gz LZRNDPLJTICVEE-LBPRGKRZSA-N 1 0 236.359 2.143 20 30 BEEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000877322107 590316197 /nfs/dbraw/zinc/31/61/97/590316197.db2.gz ZFYZDORAUKBFNB-UVWXRNBGSA-N 1 0 246.291 2.459 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1c(C)cccc1O ZINC000877363246 590319033 /nfs/dbraw/zinc/31/90/33/590319033.db2.gz CFIHVVNZJVBOMD-NSHDSACASA-N 1 0 218.300 2.483 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC=CO1 ZINC000877460133 590331799 /nfs/dbraw/zinc/33/17/99/590331799.db2.gz PUQHVGXCBDSLSF-RYUDHWBXSA-N 1 0 208.305 2.209 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000877424992 590325494 /nfs/dbraw/zinc/32/54/94/590325494.db2.gz VVMUTPRVFQBBRZ-AWEZNQCLSA-N 1 0 246.358 2.109 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC=CO1 ZINC000877460132 590331233 /nfs/dbraw/zinc/33/12/33/590331233.db2.gz PUQHVGXCBDSLSF-NWDGAFQWSA-N 1 0 208.305 2.209 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)nc1 ZINC000877460982 590331762 /nfs/dbraw/zinc/33/17/62/590331762.db2.gz ZOCPLLGUVXJPBP-BNOWGMLFSA-N 1 0 241.338 2.479 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000877480405 590337112 /nfs/dbraw/zinc/33/71/12/590337112.db2.gz UWHSMAMQGDPBCN-CABCVRRESA-N 1 0 242.366 2.466 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(F)ccc1N(C)C ZINC000877479318 590337285 /nfs/dbraw/zinc/33/72/85/590337285.db2.gz ARUXVCIBGYCXQU-NSHDSACASA-N 1 0 234.318 2.345 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877486469 590338888 /nfs/dbraw/zinc/33/88/88/590338888.db2.gz NUSFBPZOAJPEAJ-CYBMUJFWSA-N 1 0 223.360 2.273 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CC2(Cl)Cl)CC1 ZINC000877494008 590340808 /nfs/dbraw/zinc/34/08/08/590340808.db2.gz KKHNHZNVKXHXRM-ZETCQYMHSA-N 1 0 219.115 2.074 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](CC(C)C)OC)C(C)C ZINC000877513071 590343434 /nfs/dbraw/zinc/34/34/34/590343434.db2.gz KIWVINUTJMNQIY-OLZOCXBDSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000877513407 590343482 /nfs/dbraw/zinc/34/34/82/590343482.db2.gz VAYLHNTWLCDMLJ-ZIAGYGMSSA-N 1 0 248.370 2.333 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cncc(OC)c1C)C(C)C ZINC000877512989 590343563 /nfs/dbraw/zinc/34/35/63/590343563.db2.gz HUYXUFSQCJWPAW-CYBMUJFWSA-N 1 0 232.327 2.146 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc2c(cc[nH]c2=O)o1)C(C)C ZINC000877513198 590344020 /nfs/dbraw/zinc/34/40/20/590344020.db2.gz NUOUTKGGXDELJR-LBPRGKRZSA-N 1 0 244.294 2.281 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)CCc1cccnc1 ZINC000877513415 590344856 /nfs/dbraw/zinc/34/48/56/590344856.db2.gz VKWUPUKMVAKGCL-TZMCWYRMSA-N 1 0 216.328 2.404 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(Cl)c1N ZINC000877514039 590345198 /nfs/dbraw/zinc/34/51/98/590345198.db2.gz HIEDCDPSBXCAFE-MRVPVSSYSA-N 1 0 208.692 2.034 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CCc1cccnc1 ZINC000877514857 590345749 /nfs/dbraw/zinc/34/57/49/590345749.db2.gz WIQALPVGNAJMCI-VXGBXAGGSA-N 1 0 202.301 2.014 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000877527927 590349278 /nfs/dbraw/zinc/34/92/78/590349278.db2.gz PHAUTFKYIXUAKM-AWEZNQCLSA-N 1 0 223.360 2.273 20 30 BEEDRO C#C[C@@H]([NH2+]CCC[C@H]1CCO1)C(C)(C)C ZINC000877534321 590350381 /nfs/dbraw/zinc/35/03/81/590350381.db2.gz FQYSNRHILIWVJC-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1cn[nH]c1 ZINC000877538637 590350508 /nfs/dbraw/zinc/35/05/08/590350508.db2.gz GFNCNFKUVJHGTM-UHFFFAOYSA-N 1 0 219.332 2.126 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCO[C@@H]2C[C@@H]21 ZINC000877545223 590352050 /nfs/dbraw/zinc/35/20/50/590352050.db2.gz HGNNFOXFOJKVHD-QWHCGFSZSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000877545393 590352458 /nfs/dbraw/zinc/35/24/58/590352458.db2.gz ALJYGDDYBWZPBQ-CABCVRRESA-N 1 0 234.387 2.206 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@H](O)CC1 ZINC000877554439 590356348 /nfs/dbraw/zinc/35/63/48/590356348.db2.gz ITNXGQPVGNREMK-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877575108 590362697 /nfs/dbraw/zinc/36/26/97/590362697.db2.gz HLQUDHFKGZSPCN-BDAKNGLRSA-N 1 0 238.158 2.097 20 30 BEEDRO C#Cc1cccc(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000877575075 590363127 /nfs/dbraw/zinc/36/31/27/590363127.db2.gz FXPRFTCMRRKLCE-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C=CCn1cc(C[NH2+]CC2(C)CCCC2)nn1 ZINC000877598859 590370846 /nfs/dbraw/zinc/37/08/46/590370846.db2.gz VLQISRYORPERNC-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000877604813 590370957 /nfs/dbraw/zinc/37/09/57/590370957.db2.gz GXIUBBKOIAPRKX-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(C)ns2)CC1 ZINC000877606719 590372017 /nfs/dbraw/zinc/37/20/17/590372017.db2.gz JDQXMOOLXBXJSW-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C1(CO)CC1 ZINC000877624259 590375710 /nfs/dbraw/zinc/37/57/10/590375710.db2.gz CMNLJUHSPXILQH-CYBMUJFWSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](OC)[C@H](C)CC)C1 ZINC000877649615 590384408 /nfs/dbraw/zinc/38/44/08/590384408.db2.gz CFUSBZBRWOCTGG-MCIONIFRSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCC12CCC2 ZINC000877660794 590386589 /nfs/dbraw/zinc/38/65/89/590386589.db2.gz QUWDCUXQHBQUFT-CHWSQXEVSA-N 1 0 221.344 2.337 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CCSC2)n1 ZINC000877662206 590387447 /nfs/dbraw/zinc/38/74/47/590387447.db2.gz NPFKDRMLOWOIHJ-LLVKDONJSA-N 1 0 247.367 2.186 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@](O)(CC)C2)cc1 ZINC000877691497 590392450 /nfs/dbraw/zinc/39/24/50/590392450.db2.gz OYGDYKXCUWYLQZ-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CCCS2)n1 ZINC000877697094 590393802 /nfs/dbraw/zinc/39/38/02/590393802.db2.gz AONMQRKLSHZSDB-ZDUSSCGKSA-N 1 0 247.367 2.329 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccnc(F)c1 ZINC000877698125 590393872 /nfs/dbraw/zinc/39/38/72/590393872.db2.gz QAHDHPCJXRUTAR-SNVBAGLBSA-N 1 0 221.279 2.250 20 30 BEEDRO COC(C)(C)CC[NH2+]C[C@H](C)CCC#N ZINC000877707803 590397659 /nfs/dbraw/zinc/39/76/59/590397659.db2.gz JAJGUTOUKKWRKK-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]C1CCC(C#N)CC1 ZINC000877778346 590423351 /nfs/dbraw/zinc/42/33/51/590423351.db2.gz MWEPRVGTHKNYNF-CQLXCSJHSA-N 1 0 224.348 2.208 20 30 BEEDRO CC1([NH2+][C@@H]2CC[C@@H](C#N)C2)CC(F)(F)C1 ZINC000877834868 590431699 /nfs/dbraw/zinc/43/16/99/590431699.db2.gz YUBCOOTUODHEJH-RKDXNWHRSA-N 1 0 214.259 2.456 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000877895319 590441973 /nfs/dbraw/zinc/44/19/73/590441973.db2.gz PZWOVNLDKVJLEO-CYBMUJFWSA-N 1 0 249.358 2.065 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000877904804 590444335 /nfs/dbraw/zinc/44/43/35/590444335.db2.gz PEWROQMXLJZFEU-GFCCVEGCSA-N 1 0 249.358 2.065 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(c2nccs2)CC1 ZINC000877928828 590450295 /nfs/dbraw/zinc/45/02/95/590450295.db2.gz JZDGNLFERBNUAC-LLVKDONJSA-N 1 0 237.372 2.230 20 30 BEEDRO C#CC[N@@H+](CCN(C#N)CC)C1CCCCC1 ZINC000878001312 590470137 /nfs/dbraw/zinc/47/01/37/590470137.db2.gz PQQFPRIDIXKDSK-UHFFFAOYSA-N 1 0 233.359 2.057 20 30 BEEDRO N#CC1CCN(Cc2nc3c(o2)CCCC3)CC1 ZINC000878015806 590472009 /nfs/dbraw/zinc/47/20/09/590472009.db2.gz CZYARPNVKGXVQS-UHFFFAOYSA-N 1 0 245.326 2.289 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H](O)CC(C)(C)O ZINC000878124731 590501446 /nfs/dbraw/zinc/50/14/46/590501446.db2.gz IRMVIOGKFMFQSO-CYBMUJFWSA-N 1 0 243.391 2.187 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878125990 590502127 /nfs/dbraw/zinc/50/21/27/590502127.db2.gz SOKPEHBVQHTWAX-KGLIPLIRSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](N(CC)CC)C1 ZINC000878148983 590506142 /nfs/dbraw/zinc/50/61/42/590506142.db2.gz LMYLEQRKXALWQA-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CC(C)(C)OC1(C)C ZINC000878153610 590507878 /nfs/dbraw/zinc/50/78/78/590507878.db2.gz WBHPEHWUFGKULP-ZDUSSCGKSA-N 1 0 233.355 2.149 20 30 BEEDRO CC(C)[C@@H](O)CC[N@H+](CCC#N)CC1CC1 ZINC000878159863 590510582 /nfs/dbraw/zinc/51/05/82/590510582.db2.gz XWUSJGAWPPSFQD-ZDUSSCGKSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000878168996 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2.227 20 30 BEEDRO COC[C@H](C)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879432191 590768815 /nfs/dbraw/zinc/76/88/15/590768815.db2.gz FDJACOSSXZBWBW-LBPRGKRZSA-N 1 0 232.327 2.067 20 30 BEEDRO CCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879435048 590770336 /nfs/dbraw/zinc/77/03/36/590770336.db2.gz URRFQYLGXZMIRD-UHFFFAOYSA-N 1 0 202.301 2.443 20 30 BEEDRO C=C(C)CN1CC[NH2+][C@H](c2ccc(OC)cc2)C1 ZINC000879519469 590787594 /nfs/dbraw/zinc/78/75/94/590787594.db2.gz UVLDQYBFKMWEEG-HNNXBMFYSA-N 1 0 246.354 2.218 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879530280 590792703 /nfs/dbraw/zinc/79/27/03/590792703.db2.gz BAISKYGSEMNAAC-FRRDWIJNSA-N 1 0 235.327 2.002 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879560532 590803339 /nfs/dbraw/zinc/80/33/39/590803339.db2.gz WUMKRHLUHFICSZ-VXGBXAGGSA-N 1 0 224.373 2.365 20 30 BEEDRO C#CCCCCCN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879578806 590818059 /nfs/dbraw/zinc/81/80/59/590818059.db2.gz HCNLOGGEAAYZDF-HUUCEWRRSA-N 1 0 234.387 2.206 20 30 BEEDRO CC1(C)C[C@H](O)C[N@H+](CC#Cc2ccccc2)C1 ZINC000879623909 590837221 /nfs/dbraw/zinc/83/72/21/590837221.db2.gz IRJQFPDHXLRHKA-HNNXBMFYSA-N 1 0 243.350 2.131 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879625076 590838691 /nfs/dbraw/zinc/83/86/91/590838691.db2.gz MSLYJXCQLKMFNQ-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CC[NH2+][C@@H](Cc1cccnc1)C1CCCC1 ZINC000879674114 590845349 /nfs/dbraw/zinc/84/53/49/590845349.db2.gz YTOIHFVSQFYHSO-HNNXBMFYSA-N 1 0 228.339 2.406 20 30 BEEDRO C#CCC[NH2+][C@@H]1CC=CC[C@H]1C(F)(F)F ZINC000879672548 590845483 /nfs/dbraw/zinc/84/54/83/590845483.db2.gz YKQZTBCWPDKJQM-NXEZZACHSA-N 1 0 217.234 2.496 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1ccnn1C ZINC000879687976 590849838 /nfs/dbraw/zinc/84/98/38/590849838.db2.gz ZMVZAEPZVXOAIM-ZDUSSCGKSA-N 1 0 239.322 2.122 20 30 BEEDRO C#CCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734668 590858039 /nfs/dbraw/zinc/85/80/39/590858039.db2.gz MYIXSGFAWLMMJA-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C=CCOCC[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879735044 590858286 /nfs/dbraw/zinc/85/82/86/590858286.db2.gz RSEUWJBZMKZIPM-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)CC(C)C)CC1 ZINC000879756960 590864478 /nfs/dbraw/zinc/86/44/78/590864478.db2.gz INEZJSHSHIICHO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000879934782 590892071 /nfs/dbraw/zinc/89/20/71/590892071.db2.gz XISXEKNTZFJDIM-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000879963710 590899914 /nfs/dbraw/zinc/89/99/14/590899914.db2.gz NGYOHWBLKRMMBO-UPJWGTAASA-N 1 0 236.359 2.162 20 30 BEEDRO CCCCCCC[NH+]1CCC(CO)(CO)CC1 ZINC000879969716 590901624 /nfs/dbraw/zinc/90/16/24/590901624.db2.gz OGSQMJBXFJCTOF-UHFFFAOYSA-N 1 0 243.391 2.024 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](c2nc(C)cs2)C1 ZINC000880010305 590908375 /nfs/dbraw/zinc/90/83/75/590908375.db2.gz XBRVWMWBAJNKFH-NSHDSACASA-N 1 0 220.341 2.264 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054657 590915180 /nfs/dbraw/zinc/91/51/80/590915180.db2.gz JTLZGLQWPKMKOR-RKDXNWHRSA-N 1 0 223.238 2.214 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880054655 590915193 /nfs/dbraw/zinc/91/51/93/590915193.db2.gz JTLZGLQWPKMKOR-DTWKUNHWSA-N 1 0 223.238 2.214 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880062894 590917358 /nfs/dbraw/zinc/91/73/58/590917358.db2.gz RTRMOFLRIGHFNE-QWRGUYRKSA-N 1 0 249.276 2.442 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880136438 590937371 /nfs/dbraw/zinc/93/73/71/590937371.db2.gz LVOUMQPOHMOFCD-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880136687 590940604 /nfs/dbraw/zinc/94/06/04/590940604.db2.gz QDLRGBLRLZMSOJ-OLZOCXBDSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880222252 590960128 /nfs/dbraw/zinc/96/01/28/590960128.db2.gz KKMGCVVHIKZFBF-OKILXGFUSA-N 1 0 217.312 2.202 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CF)C2)C1 ZINC000880237636 590968561 /nfs/dbraw/zinc/96/85/61/590968561.db2.gz ZEFBMNVCXZXGEF-IJLUTSLNSA-N 1 0 210.296 2.360 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880298518 590992492 /nfs/dbraw/zinc/99/24/92/590992492.db2.gz CRDKJGPDXAAXHR-LBPRGKRZSA-N 1 0 248.301 2.358 20 30 BEEDRO C#CCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880456550 591048585 /nfs/dbraw/zinc/04/85/85/591048585.db2.gz PFRZJLXVDDFKAY-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000880467869 591051639 /nfs/dbraw/zinc/05/16/39/591051639.db2.gz KSRUEVHFUPTWAB-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C#CCC[N@@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880464489 591051932 /nfs/dbraw/zinc/05/19/32/591051932.db2.gz UGYDVAHBSRUGHW-AWEZNQCLSA-N 1 0 217.312 2.065 20 30 BEEDRO CC(C)(C#N)CCN1CCC(C)([NH+]2CCC2)CC1 ZINC000880473256 591054056 /nfs/dbraw/zinc/05/40/56/591054056.db2.gz APXBEOOSXNSUPK-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO N#CC1(CC[N@H+]2CC=C[C@H]2CO)CCCCC1 ZINC000880490855 591067847 /nfs/dbraw/zinc/06/78/47/591067847.db2.gz FBUXNNPUHCCNNQ-ZDUSSCGKSA-N 1 0 234.343 2.083 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880503519 591078671 /nfs/dbraw/zinc/07/86/71/591078671.db2.gz QAVWTQQJDHDLHO-OLZOCXBDSA-N 1 0 207.317 2.091 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880515027 591082698 /nfs/dbraw/zinc/08/26/98/591082698.db2.gz JDOIUHNKTUHZQL-MCIONIFRSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000880618709 591110496 /nfs/dbraw/zinc/11/04/96/591110496.db2.gz WIQXRSHCQMALLR-TXEJJXNPSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1ccc(CCO[NH+]=C(N)C(C)C)cc1 ZINC000128593474 591129033 /nfs/dbraw/zinc/12/90/33/591129033.db2.gz TYDNERFRHUMSGI-UHFFFAOYSA-N 1 0 220.316 2.482 20 30 BEEDRO C#CCCCCNC(=[NH2+])NCCCCCC ZINC000129146074 591259847 /nfs/dbraw/zinc/25/98/47/591259847.db2.gz FOHAMJLRHCDBRB-UHFFFAOYSA-N 1 0 223.364 2.275 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(CCC)CCC1 ZINC000129202279 591269755 /nfs/dbraw/zinc/26/97/55/591269755.db2.gz TYQUGPCCJFQYLI-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO C[C@]1(CNc2cccc(F)c2C#N)CCC[NH2+]C1 ZINC000129387196 591287779 /nfs/dbraw/zinc/28/77/79/591287779.db2.gz VGXFUZCJTOATIZ-AWEZNQCLSA-N 1 0 247.317 2.499 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000129786642 591405172 /nfs/dbraw/zinc/40/51/72/591405172.db2.gz VFIJAJBHALDJLY-ZJUUUORDSA-N 1 0 203.713 2.144 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000883123588 591543658 /nfs/dbraw/zinc/54/36/58/591543658.db2.gz CXZMKQUVYNVCGK-QWHCGFSZSA-N 1 0 223.360 2.177 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883139685 591550523 /nfs/dbraw/zinc/55/05/23/591550523.db2.gz WBXDHISFNCACKK-UHFFFAOYSA-N 1 0 233.267 2.442 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1C ZINC000883156965 591555514 /nfs/dbraw/zinc/55/55/14/591555514.db2.gz HMYFQGPKSHHUPQ-ZBFHGGJFSA-N 1 0 245.366 2.290 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCOC)[C@@H]1CCCO1 ZINC000883164847 591558122 /nfs/dbraw/zinc/55/81/22/591558122.db2.gz PIIDHLTVWCCZHM-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCOC)[C@H]1CCCO1 ZINC000883164844 591558348 /nfs/dbraw/zinc/55/83/48/591558348.db2.gz PIIDHLTVWCCZHM-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+][C@H](C)CO ZINC000883175532 591561976 /nfs/dbraw/zinc/56/19/76/591561976.db2.gz JKTNTXIYPUEPNI-KGLIPLIRSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C)COC1)[C@@H]1CCCO1 ZINC000883188992 591566400 /nfs/dbraw/zinc/56/64/00/591566400.db2.gz VMVOJSPDIRWVRH-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCCO1 ZINC000883187717 591566387 /nfs/dbraw/zinc/56/63/87/591566387.db2.gz UNAGROGHCYVZTA-RDBSUJKOSA-N 1 0 239.359 2.269 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(SC)o1 ZINC000883192031 591568045 /nfs/dbraw/zinc/56/80/45/591568045.db2.gz PNZLYRWCNNEFTO-JTQLQIEISA-N 1 0 239.340 2.129 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)CC)[C@H]1CCCO1 ZINC000883198232 591570174 /nfs/dbraw/zinc/57/01/74/591570174.db2.gz CSSOBYMBDFYTDF-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)CC)[C@@H]1CCCO1 ZINC000883198231 591570321 /nfs/dbraw/zinc/57/03/21/591570321.db2.gz CSSOBYMBDFYTDF-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000883217376 591575325 /nfs/dbraw/zinc/57/53/25/591575325.db2.gz HNNOFEYVHJVLSI-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)[C@@H]1CCCO1 ZINC000883215812 591575754 /nfs/dbraw/zinc/57/57/54/591575754.db2.gz GMMNDVFJNMQBFK-MQYQWHSLSA-N 1 0 241.375 2.249 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCCCO)[C@H]1CCCO1 ZINC000883219117 591576277 /nfs/dbraw/zinc/57/62/77/591576277.db2.gz MNGRLWJNIDCZAO-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCO1 ZINC000883223425 591577788 /nfs/dbraw/zinc/57/77/88/591577788.db2.gz PAJCLHOKWGMOSB-UONOGXRCSA-N 1 0 249.358 2.024 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883227434 591578909 /nfs/dbraw/zinc/57/89/09/591578909.db2.gz QQVMQEBXTCLZGY-HTOAHKCRSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@@H]1CCCO1 ZINC000883229439 591580124 /nfs/dbraw/zinc/58/01/24/591580124.db2.gz JOURWXSFJQUIBO-XDQVBPFNSA-N 1 0 239.359 2.003 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000883247325 591588160 /nfs/dbraw/zinc/58/81/60/591588160.db2.gz GSWNDJZQIWRXJQ-GHMZBOCLSA-N 1 0 235.356 2.358 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@]2(C)CC2(C)C)nn1 ZINC000883252592 591592807 /nfs/dbraw/zinc/59/28/07/591592807.db2.gz OTIQSIFGNNVWRF-AWEZNQCLSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883276368 591606948 /nfs/dbraw/zinc/60/69/48/591606948.db2.gz KJVSUPKDIZAYNZ-TZMCWYRMSA-N 1 0 237.343 2.375 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000883316431 591613699 /nfs/dbraw/zinc/61/36/99/591613699.db2.gz XEZXHEOVOABGFO-OTVXOJSOSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN2CC)C1 ZINC000883356962 591627853 /nfs/dbraw/zinc/62/78/53/591627853.db2.gz ZMJAJPVIDKGGTJ-MCIONIFRSA-N 1 0 222.376 2.415 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)C1 ZINC000883357778 591629571 /nfs/dbraw/zinc/62/95/71/591629571.db2.gz TWUKLHISRXZLMB-UPJWGTAASA-N 1 0 234.343 2.370 20 30 BEEDRO C#CC1(NCc2cnn(C)c2Cl)CCCC1 ZINC000883362250 591630869 /nfs/dbraw/zinc/63/08/69/591630869.db2.gz XZYXAEJFMUSYKB-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CC1([NH2+]Cc2cn3ccccc3n2)CCCC1 ZINC000883363018 591631987 /nfs/dbraw/zinc/63/19/87/591631987.db2.gz SZGDZKWGQLYVTP-UHFFFAOYSA-N 1 0 239.322 2.370 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000883389809 591635578 /nfs/dbraw/zinc/63/55/78/591635578.db2.gz YZMFLHVUGWRGIZ-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CC(C(C)C)C1 ZINC000883391739 591638827 /nfs/dbraw/zinc/63/88/27/591638827.db2.gz QXGNPUXERYLWPN-WXRRBKDZSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000883392752 591639374 /nfs/dbraw/zinc/63/93/74/591639374.db2.gz OADSCKNOOXXVGL-IJLUTSLNSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000883390528 591642427 /nfs/dbraw/zinc/64/24/27/591642427.db2.gz OETYNHHCLUGDDP-IUODEOHRSA-N 1 0 249.354 2.157 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cncc(C)c1 ZINC000883391151 591642555 /nfs/dbraw/zinc/64/25/55/591642555.db2.gz DHUOQQAOSCPRMR-OCCSQVGLSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CC1CCC1 ZINC000883390969 591642855 /nfs/dbraw/zinc/64/28/55/591642855.db2.gz YXKIWXUNJUCGBI-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1csc(C)n1 ZINC000883390786 591643022 /nfs/dbraw/zinc/64/30/22/591643022.db2.gz UJDHNAKYQHBKQK-MWLCHTKSSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000883390991 591643078 /nfs/dbraw/zinc/64/30/78/591643078.db2.gz ZADDGYGLODDNLJ-BFHYXJOUSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C1CCCC1 ZINC000883391019 591643145 /nfs/dbraw/zinc/64/31/45/591643145.db2.gz ZRDYZNKNLXHHGS-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@H]1C(C)C ZINC000883391206 591644061 /nfs/dbraw/zinc/64/40/61/591644061.db2.gz GDCPVZKNFWDOJQ-AGIUHOORSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CCc1cccnc1 ZINC000883392976 591644539 /nfs/dbraw/zinc/64/45/39/591644539.db2.gz SKASVPGMEFQSFG-ZFWWWQNUSA-N 1 0 248.370 2.319 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000883392702 591645098 /nfs/dbraw/zinc/64/50/98/591645098.db2.gz MSOKNLMPXVLIBF-ROKHWSDSSA-N 1 0 236.359 2.376 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCC(OCC)CC1 ZINC000883392854 591645394 /nfs/dbraw/zinc/64/53/94/591645394.db2.gz PRYQKUDSSHHCIA-MOKVOYLWSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc2cnccc2o1 ZINC000883399421 591646010 /nfs/dbraw/zinc/64/60/10/591646010.db2.gz LSILPQHGYIGJTQ-LBPRGKRZSA-N 1 0 246.310 2.245 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)nc1 ZINC000883400655 591647199 /nfs/dbraw/zinc/64/71/99/591647199.db2.gz RYGADVXLDRLYST-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000883400777 591647830 /nfs/dbraw/zinc/64/78/30/591647830.db2.gz VDGBCVMPTOEKTK-CYBMUJFWSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(F)c(F)c1 ZINC000883401650 591648714 /nfs/dbraw/zinc/64/87/14/591648714.db2.gz UDVLWSJMBINSNT-LLVKDONJSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1F ZINC000883401213 591648703 /nfs/dbraw/zinc/64/87/03/591648703.db2.gz GPNJWEAHPOAIAJ-GFCCVEGCSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccccc1OC ZINC000883401333 591648926 /nfs/dbraw/zinc/64/89/26/591648926.db2.gz KHCFBLCVEWWQPY-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(F)c1 ZINC000883401454 591649069 /nfs/dbraw/zinc/64/90/69/591649069.db2.gz NJNDMDMINSOXGW-CYBMUJFWSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1csc(CC)n1 ZINC000883401106 591649078 /nfs/dbraw/zinc/64/90/78/591649078.db2.gz CQNNVXFVBKMABI-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CC1CCCCC1 ZINC000883401275 591649116 /nfs/dbraw/zinc/64/91/16/591649116.db2.gz IJBNJCORDXXSIM-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883420528 591655056 /nfs/dbraw/zinc/65/50/56/591655056.db2.gz NEXXIJJJZPJSHS-GJZGRUSLSA-N 1 0 248.345 2.375 20 30 BEEDRO C=CCCCCCN(C)C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883421930 591657136 /nfs/dbraw/zinc/65/71/36/591657136.db2.gz ZSDGPCJZALDHBE-STQMWFEESA-N 1 0 228.355 2.365 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@H](OCCCC)C1(C)C ZINC000132682251 591730768 /nfs/dbraw/zinc/73/07/68/591730768.db2.gz IBLHPRLRKXZZNK-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000132680874 591731137 /nfs/dbraw/zinc/73/11/37/591731137.db2.gz NFXUWTSZBFVIJM-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCCC[C@@H](C(=O)NCC[NH3+])c1ccccc1 ZINC000884005450 591794377 /nfs/dbraw/zinc/79/43/77/591794377.db2.gz HZNOTFRQDJDDAA-CQSZACIVSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000884033921 591815731 /nfs/dbraw/zinc/81/57/31/591815731.db2.gz VXKAUXLKMXUKOY-NWDGAFQWSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C[NH3+])CCCC ZINC000884042770 591823210 /nfs/dbraw/zinc/82/32/10/591823210.db2.gz HMMARKJUHVGCRT-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCCCCCO ZINC000133607787 591841584 /nfs/dbraw/zinc/84/15/84/591841584.db2.gz KJKMLJPARIOPLN-UHFFFAOYSA-N 1 0 226.364 2.459 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]([NH3+])CC1CC1 ZINC000884143461 591860560 /nfs/dbraw/zinc/86/05/60/591860560.db2.gz IJOPJNYSVNMSFU-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(Cl)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134421866 591926600 /nfs/dbraw/zinc/92/66/00/591926600.db2.gz IDCYMUMQXSOKQR-VIFPVBQESA-N 1 0 205.729 2.078 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccnc1Cl ZINC000134500300 591931652 /nfs/dbraw/zinc/93/16/52/591931652.db2.gz XRPLHTUCQXCSBD-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000884430468 591931805 /nfs/dbraw/zinc/93/18/05/591931805.db2.gz QGJBYKUDEODSHQ-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000134622280 591942108 /nfs/dbraw/zinc/94/21/08/591942108.db2.gz RJGZFPXCIUQANQ-UHFFFAOYSA-N 1 0 248.326 2.104 20 30 BEEDRO CC(C)[C@@H](C)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885942455 592112158 /nfs/dbraw/zinc/11/21/58/592112158.db2.gz OYJLOJNAMBIQFH-CHWSQXEVSA-N 1 0 238.375 2.408 20 30 BEEDRO CC1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885943718 592112164 /nfs/dbraw/zinc/11/21/64/592112164.db2.gz AQHJBSNGQLHJIN-ZDUSSCGKSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC000885945092 592112826 /nfs/dbraw/zinc/11/28/26/592112826.db2.gz ZRLAKBGRKJNBAH-ZDUSSCGKSA-N 1 0 236.359 2.329 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1C[C@]12CCOC2 ZINC000885944806 592112635 /nfs/dbraw/zinc/11/26/35/592112635.db2.gz VENUYNZRXWDLAI-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885945082 592112840 /nfs/dbraw/zinc/11/28/40/592112840.db2.gz ZLUJSLGLJYDXSB-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1C[C@@]12CCOC2 ZINC000885954034 592114206 /nfs/dbraw/zinc/11/42/06/592114206.db2.gz LLXMHPXGTRGCGH-QWHCGFSZSA-N 1 0 207.317 2.087 20 30 BEEDRO C=CCSCC[NH2+]Cc1[nH]nc(C)c1C ZINC000885968942 592117544 /nfs/dbraw/zinc/11/75/44/592117544.db2.gz FNESPYXEFALYGR-UHFFFAOYSA-N 1 0 225.361 2.035 20 30 BEEDRO CC(C)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885967509 592118158 /nfs/dbraw/zinc/11/81/58/592118158.db2.gz QVKJYOTVAJWEMA-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1C[C@]12CCOC2 ZINC000886017138 592131790 /nfs/dbraw/zinc/13/17/90/592131790.db2.gz SMEYYGFPYQJVFW-KBPBESRZSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)[C@@H]1C ZINC000886032419 592136416 /nfs/dbraw/zinc/13/64/16/592136416.db2.gz GHALEFJTXUCQHT-UPJWGTAASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)[C@H]1C ZINC000886032416 592136675 /nfs/dbraw/zinc/13/66/75/592136675.db2.gz GHALEFJTXUCQHT-AGIUHOORSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886057870 592140951 /nfs/dbraw/zinc/14/09/51/592140951.db2.gz ZQSKCHWRZWUADF-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000886057869 592141340 /nfs/dbraw/zinc/14/13/40/592141340.db2.gz ZQSKCHWRZWUADF-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1C[C@]12CCOC2)C1CC1 ZINC000886083419 592144006 /nfs/dbraw/zinc/14/40/06/592144006.db2.gz JOZIFXMPVJZZRB-BZPMIXESSA-N 1 0 234.343 2.037 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@H](O)CC1(C#N)CCC1 ZINC000886080958 592144383 /nfs/dbraw/zinc/14/43/83/592144383.db2.gz HVUVJECKVUUTJQ-CYBMUJFWSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217835777 592149545 /nfs/dbraw/zinc/14/95/45/592149545.db2.gz BMLVAZCVULLKCZ-LALPHHSUSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886168448 592168171 /nfs/dbraw/zinc/16/81/71/592168171.db2.gz QZXZXSMPVONKKI-UONOGXRCSA-N 1 0 239.359 2.078 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886173426 592169205 /nfs/dbraw/zinc/16/92/05/592169205.db2.gz OZTZUAZYHFGNTD-PXTSUWAFSA-N 1 0 247.313 2.467 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)co1 ZINC000886190257 592173339 /nfs/dbraw/zinc/17/33/39/592173339.db2.gz IRANLJDYAHWKKC-LLVKDONJSA-N 1 0 209.289 2.005 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000886211804 592177429 /nfs/dbraw/zinc/17/74/29/592177429.db2.gz YGYZKMGTYFSKBP-AWEZNQCLSA-N 1 0 247.386 2.004 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(C)cc2)C1 ZINC000886213375 592178269 /nfs/dbraw/zinc/17/82/69/592178269.db2.gz RONYZZFKTZGUSP-MRXNPFEDSA-N 1 0 242.366 2.182 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886265507 592189869 /nfs/dbraw/zinc/18/98/69/592189869.db2.gz KMMCHSCZKMJBSC-QLFBSQMISA-N 1 0 233.355 2.148 20 30 BEEDRO CC[NH+]1CCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000061850764 592209078 /nfs/dbraw/zinc/20/90/78/592209078.db2.gz YWJXGOMOJHYIGO-UHFFFAOYSA-N 1 0 249.745 2.354 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000886356226 592215842 /nfs/dbraw/zinc/21/58/42/592215842.db2.gz WKNAYAFAZIJGST-DOMZBBRYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000886357354 592215979 /nfs/dbraw/zinc/21/59/79/592215979.db2.gz FUGAJRSLZGYIQU-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2nc(CC)no2)C1 ZINC000886355877 592216562 /nfs/dbraw/zinc/21/65/62/592216562.db2.gz OWJKCFVKMKKIAS-WDEREUQCSA-N 1 0 233.315 2.038 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000886357999 592216703 /nfs/dbraw/zinc/21/67/03/592216703.db2.gz OALGZYIYBUDOPU-QWHCGFSZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000886357997 592217107 /nfs/dbraw/zinc/21/71/07/592217107.db2.gz OALGZYIYBUDOPU-CHWSQXEVSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000886358447 592217190 /nfs/dbraw/zinc/21/71/90/592217190.db2.gz UZJJOMKSXUCZKV-HNNXBMFYSA-N 1 0 245.370 2.399 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCSCCOC)C1 ZINC000886364220 592218282 /nfs/dbraw/zinc/21/82/82/592218282.db2.gz SPQOBBPVNQMKKJ-ZDUSSCGKSA-N 1 0 241.400 2.101 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2nnc(C)s2)C1 ZINC000886364245 592218324 /nfs/dbraw/zinc/21/83/24/592218324.db2.gz UHEAIBLTEKMBRF-KOLCDFICSA-N 1 0 235.356 2.253 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000886365255 592219066 /nfs/dbraw/zinc/21/90/66/592219066.db2.gz DQOLLRRKHPUZFF-QWHCGFSZSA-N 1 0 229.327 2.191 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC000886365254 592219090 /nfs/dbraw/zinc/21/90/90/592219090.db2.gz DQOLLRRKHPUZFF-OLZOCXBDSA-N 1 0 229.327 2.191 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000886365478 592219256 /nfs/dbraw/zinc/21/92/56/592219256.db2.gz JLLXLKWXKSDRTP-JTQLQIEISA-N 1 0 213.271 2.377 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000886365694 592219734 /nfs/dbraw/zinc/21/97/34/592219734.db2.gz NZEOUWVCOVCXKW-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000886365141 592219838 /nfs/dbraw/zinc/21/98/38/592219838.db2.gz AQECEGQEWILAMT-UONOGXRCSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000886365637 592219902 /nfs/dbraw/zinc/21/99/02/592219902.db2.gz MYVGOADLQWQGAT-HOCLYGCPSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886365811 592220083 /nfs/dbraw/zinc/22/00/83/592220083.db2.gz PZZBKNWLAWQEPQ-SNPRPXQTSA-N 1 0 233.355 2.289 20 30 BEEDRO C#CCC1([NH2+]Cc2ccoc2C)CCOCC1 ZINC000886378822 592221663 /nfs/dbraw/zinc/22/16/63/592221663.db2.gz CFTFMVFONAJZDW-UHFFFAOYSA-N 1 0 233.311 2.250 20 30 BEEDRO C#CCC1([NH2+]C[C@H](C)CC)CCOCC1 ZINC000886381734 592222121 /nfs/dbraw/zinc/22/21/21/592222121.db2.gz PNUWJIPNFMZRFU-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCC1([NH2+]CC2CCCC2)CCOCC1 ZINC000886381905 592222306 /nfs/dbraw/zinc/22/23/06/592222306.db2.gz XJSLNQPQAPCUSG-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO N#CCCNCc1ccc(F)cc1Cl ZINC000219347707 592223288 /nfs/dbraw/zinc/22/32/88/592223288.db2.gz KSMLLCYXRGIVRM-UHFFFAOYSA-N 1 0 212.655 2.482 20 30 BEEDRO C=CCCCCC[N@@H+]1CCCn2nncc2C1 ZINC000886464846 592229088 /nfs/dbraw/zinc/22/90/88/592229088.db2.gz JWVJHXYQLRIJFW-UHFFFAOYSA-N 1 0 234.347 2.230 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCCC#N)c1cnn(C)c1 ZINC000886522877 592242272 /nfs/dbraw/zinc/24/22/72/592242272.db2.gz SIKXETBFBKGUFE-ZDUSSCGKSA-N 1 0 234.347 2.401 20 30 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SSHHRTIHPHDGOC-JKSUJKDBSA-N 1 0 246.398 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CCC=C)C1 ZINC000886662277 592295229 /nfs/dbraw/zinc/29/52/29/592295229.db2.gz ARNCTMRZKJECSR-ZIAGYGMSSA-N 1 0 220.360 2.028 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nc(CSC)n[nH]1 ZINC000886757286 592318985 /nfs/dbraw/zinc/31/89/85/592318985.db2.gz BQDIPOPGBINXOE-SECBINFHSA-N 1 0 240.376 2.112 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886819136 592342472 /nfs/dbraw/zinc/34/24/72/592342472.db2.gz OMSFFMRVFWMXOW-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821762 592346076 /nfs/dbraw/zinc/34/60/76/592346076.db2.gz HEOJHIOOFGINTB-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886822705 592347173 /nfs/dbraw/zinc/34/71/73/592347173.db2.gz UFPVVHTTXSCGDT-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886833120 592355954 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CC(C)(C)NC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000178574895 635525450 /nfs/dbraw/zinc/52/54/50/635525450.db2.gz AEFPVCZYUBGWDZ-GFCCVEGCSA-N 1 0 245.370 2.419 20 30 BEEDRO C#CCC1([NH2+]CC(=O)Nc2ccccc2)CCC1 ZINC000933303308 631216678 /nfs/dbraw/zinc/21/66/78/631216678.db2.gz NLRBXPJTFWFYEN-UHFFFAOYSA-N 1 0 242.322 2.161 20 30 BEEDRO C[C@@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498477 631232501 /nfs/dbraw/zinc/23/25/01/631232501.db2.gz NMXFXTATHQIWQX-IUODEOHRSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@@H]1COC ZINC000933330765 631262966 /nfs/dbraw/zinc/26/29/66/631262966.db2.gz JORHZLIRGPHZLQ-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308341067 631295553 /nfs/dbraw/zinc/29/55/53/631295553.db2.gz BSPKFVMBYODFER-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308357172 631297578 /nfs/dbraw/zinc/29/75/78/631297578.db2.gz DHWYHDIQRPUYLR-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO 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ZINC000934465807 631861380 /nfs/dbraw/zinc/86/13/80/631861380.db2.gz OFLYXSYNRWAQNK-LSDHHAIUSA-N 1 0 242.322 2.242 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCCC(C)C ZINC000934471655 631864651 /nfs/dbraw/zinc/86/46/51/631864651.db2.gz KMRHEBHPAMHBIN-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(CC)CC ZINC000934470628 631865009 /nfs/dbraw/zinc/86/50/09/631865009.db2.gz CZRRRAWUHPUKHU-AAEUAGOBSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NCCC(C)C ZINC000934471652 631865157 /nfs/dbraw/zinc/86/51/57/631865157.db2.gz KMRHEBHPAMHBIN-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000934472882 631867835 /nfs/dbraw/zinc/86/78/35/631867835.db2.gz RBADIKJJZOIGOV-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccsc1 ZINC000308826487 631871892 /nfs/dbraw/zinc/87/18/92/631871892.db2.gz RNCHXEUFTSQANA-NXEZZACHSA-N 1 0 224.329 2.327 20 30 BEEDRO CCC[N@H+](CCO[C@@H](C)C#N)CC(C)C ZINC000309088796 631876056 /nfs/dbraw/zinc/87/60/56/631876056.db2.gz CONHGPATZANTMT-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO CC(C)(C)C[NH2+]Cc1ccc(C#N)cn1 ZINC000309082888 631876587 /nfs/dbraw/zinc/87/65/87/631876587.db2.gz SGRYUPFJLCOIQK-UHFFFAOYSA-N 1 0 203.289 2.089 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000308830525 631885577 /nfs/dbraw/zinc/88/55/77/631885577.db2.gz GARWXWBDAWHICM-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCCOC(C)C ZINC000934510834 631891923 /nfs/dbraw/zinc/89/19/23/631891923.db2.gz CSVMKIOGAHSAJP-CYBMUJFWSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000934512655 631892004 /nfs/dbraw/zinc/89/20/04/631892004.db2.gz UEUBOMUJZODXQU-CQSZACIVSA-N 1 0 214.312 2.378 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1F ZINC000934511032 631893254 /nfs/dbraw/zinc/89/32/54/631893254.db2.gz HKLFPZHQXIDXTO-IUODEOHRSA-N 1 0 247.313 2.347 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H](OCC)C1CC1 ZINC000934514733 631894886 /nfs/dbraw/zinc/89/48/86/631894886.db2.gz AZWPIMPKLBEALA-KGLIPLIRSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCCCN1Cc1ccns1 ZINC000934515005 631896812 /nfs/dbraw/zinc/89/68/12/631896812.db2.gz FAXKDHZPWSRYNY-SNVBAGLBSA-N 1 0 206.314 2.131 20 30 BEEDRO C#CCCC[NH2+][C@H](CO)c1sccc1C ZINC000309200263 631969344 /nfs/dbraw/zinc/96/93/44/631969344.db2.gz REUUTYUENIOLKT-LLVKDONJSA-N 1 0 223.341 2.093 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)CO ZINC000926427283 632003541 /nfs/dbraw/zinc/00/35/41/632003541.db2.gz YQJQACRQHFNNOM-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO Cc1cc(F)c(C#N)c(NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000892319295 632047865 /nfs/dbraw/zinc/04/78/65/632047865.db2.gz KUDWKHVJNBMOIK-NSHDSACASA-N 1 0 247.317 2.369 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001028479481 635692928 /nfs/dbraw/zinc/69/29/28/635692928.db2.gz KCFAIGGSGPJWTO-CYBMUJFWSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000308889628 632088999 /nfs/dbraw/zinc/08/89/99/632088999.db2.gz XCSZJIBTJYTFMF-NSHDSACASA-N 1 0 207.321 2.255 20 30 BEEDRO C[C@@]1(Br)C[C@H]1C[NH2+]CC1(C#N)CC1 ZINC000894203276 635747671 /nfs/dbraw/zinc/74/76/71/635747671.db2.gz FKMXRXPFISEERE-DTWKUNHWSA-N 1 0 243.148 2.053 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000924943393 635795813 /nfs/dbraw/zinc/79/58/13/635795813.db2.gz USINAUMZTLCPDQ-ZIAGYGMSSA-N 1 0 235.375 2.287 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)CN1CCOCC1 ZINC000156818820 632402755 /nfs/dbraw/zinc/40/27/55/632402755.db2.gz VKONCSCTNMVXDH-UONOGXRCSA-N 1 0 240.391 2.042 20 30 BEEDRO C=C(Br)C[N@H+](CC)C[C@@H]1CCOC1 ZINC000052441860 632408245 /nfs/dbraw/zinc/40/82/45/632408245.db2.gz LTWFGDMGTHBKPW-JTQLQIEISA-N 1 0 248.164 2.253 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H]2C2CC2)n1 ZINC000309519882 632445203 /nfs/dbraw/zinc/44/52/03/632445203.db2.gz BBRMYKCLGNNCPC-WDEREUQCSA-N 1 0 233.340 2.293 20 30 BEEDRO CC1(C)CC(N=NC(N)=[NH2+])CC(C)(C)C1 ZINC000168315824 632459908 /nfs/dbraw/zinc/45/99/08/632459908.db2.gz JBWCOOLANDZWKI-UHFFFAOYSA-N 1 0 210.325 2.062 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCC=C)[C@@H]1CCCO1 ZINC000308925512 632460274 /nfs/dbraw/zinc/46/02/74/632460274.db2.gz DECIMBZHIZVMLE-AGIUHOORSA-N 1 0 207.317 2.112 20 30 BEEDRO C[C@H](CO)CCC[NH2+]CC#Cc1ccccc1 ZINC000228361923 632470550 /nfs/dbraw/zinc/47/05/50/632470550.db2.gz ROQPGLIRETXJHC-AWEZNQCLSA-N 1 0 231.339 2.036 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CC=CCC1)[C@H]1CCCO1 ZINC000309551914 632480001 /nfs/dbraw/zinc/48/00/01/632480001.db2.gz KSGQBEVHFATHTI-MELADBBJSA-N 1 0 219.328 2.113 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC000309543939 632482309 /nfs/dbraw/zinc/48/23/09/632482309.db2.gz ZARRXBRJOVZMKA-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000159031172 632500157 /nfs/dbraw/zinc/50/01/57/632500157.db2.gz AZXOEGWQCSSWTO-WCQYABFASA-N 1 0 230.311 2.335 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000229207552 632527485 /nfs/dbraw/zinc/52/74/85/632527485.db2.gz HVZPUCGOUWIPOG-SNVBAGLBSA-N 1 0 220.316 2.371 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)CC(C)C)[C@@H]1CCCO1 ZINC000309641661 632609558 /nfs/dbraw/zinc/60/95/58/632609558.db2.gz UUBAMPCLOZMGIE-RDBSUJKOSA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cncs1 ZINC000308993357 632611783 /nfs/dbraw/zinc/61/17/83/632611783.db2.gz LTWAHWRJIJWOMX-GUBZILKMSA-N 1 0 221.329 2.486 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccncc1CC ZINC000309034399 632618799 /nfs/dbraw/zinc/61/87/99/632618799.db2.gz HGBCPUNDECWYCM-LLVKDONJSA-N 1 0 202.301 2.318 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000309116202 632641548 /nfs/dbraw/zinc/64/15/48/632641548.db2.gz LPDVJRHOZDYRAB-JTQLQIEISA-N 1 0 206.289 2.404 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCCC)[C@@H]1CCCO1 ZINC000309165574 632656921 /nfs/dbraw/zinc/65/69/21/632656921.db2.gz IUTKCGQCZFZBND-AVGNSLFASA-N 1 0 209.333 2.336 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCCC)[C@@H]1CCCO1 ZINC000309165573 632657074 /nfs/dbraw/zinc/65/70/74/632657074.db2.gz IUTKCGQCZFZBND-AGIUHOORSA-N 1 0 209.333 2.336 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C[C@H]1CCOC1)C(C)(C)C ZINC000309747363 632664523 /nfs/dbraw/zinc/66/45/23/632664523.db2.gz JMEIKZNXPSKIQJ-XQQFMLRXSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000309762509 632667675 /nfs/dbraw/zinc/66/76/75/632667675.db2.gz IZGCMJNXBZLJMH-VIFPVBQESA-N 1 0 231.324 2.250 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](COCC)C1 ZINC000177039224 632691690 /nfs/dbraw/zinc/69/16/90/632691690.db2.gz AGXHMEBFGLONDI-SNVBAGLBSA-N 1 0 203.713 2.097 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](COCC)C1 ZINC000177039240 632693150 /nfs/dbraw/zinc/69/31/50/632693150.db2.gz AGXHMEBFGLONDI-JTQLQIEISA-N 1 0 203.713 2.097 20 30 BEEDRO CC[N@@H+](Cc1ccccc1O)C[C@H](C)C#N ZINC000179561060 632743438 /nfs/dbraw/zinc/74/34/38/632743438.db2.gz XSNGEHKTQORUHZ-LLVKDONJSA-N 1 0 218.300 2.374 20 30 BEEDRO C=CCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000926682304 632814030 /nfs/dbraw/zinc/81/40/30/632814030.db2.gz AOBMICBEUJEPPF-UHFFFAOYSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@]1([NH2+]CC#Cc2ccccc2)CCCOC1 ZINC000235725501 632821014 /nfs/dbraw/zinc/82/10/14/632821014.db2.gz NJDRUQYPXCYKQY-HNNXBMFYSA-N 1 0 229.323 2.197 20 30 BEEDRO C=CCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000177460025 632825985 /nfs/dbraw/zinc/82/59/85/632825985.db2.gz UBZBDYSRKNXZMA-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)CC1CCOCC1 ZINC000309236046 632831164 /nfs/dbraw/zinc/83/11/64/632831164.db2.gz XOYQWFDSWXWMJN-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO CC(=[NH+]N[C@@H]1CCSC1)c1ccc(N)cc1 ZINC000309290312 632893988 /nfs/dbraw/zinc/89/39/88/632893988.db2.gz PXCCWJSBHYAZTN-GFCCVEGCSA-N 1 0 235.356 2.088 20 30 BEEDRO OCCCCCC[NH2+]CC#Cc1ccccc1 ZINC000236494743 632950123 /nfs/dbraw/zinc/95/01/23/632950123.db2.gz DNLZYKOETCXMJT-UHFFFAOYSA-N 1 0 231.339 2.180 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000229824693 632991900 /nfs/dbraw/zinc/99/19/00/632991900.db2.gz BISIELYBQWPBFW-CYBMUJFWSA-N 1 0 214.312 2.462 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000229835830 632992108 /nfs/dbraw/zinc/99/21/08/632992108.db2.gz MJWATQDMUBVERP-CYBMUJFWSA-N 1 0 239.265 2.001 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000229831643 632992881 /nfs/dbraw/zinc/99/28/81/632992881.db2.gz UUANQZBBNSWIDR-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000229837290 632993167 /nfs/dbraw/zinc/99/31/67/632993167.db2.gz MKMSWEJRJCXSMS-UHFFFAOYSA-N 1 0 228.295 2.070 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000229821903 632993272 /nfs/dbraw/zinc/99/32/72/632993272.db2.gz MTYBNGXUFLTAPO-LBPRGKRZSA-N 1 0 217.312 2.326 20 30 BEEDRO CC1([NH2+]CC#Cc2ccccc2)CCOCC1 ZINC000229896982 633000484 /nfs/dbraw/zinc/00/04/84/633000484.db2.gz XRYUIPUUMNNOJB-UHFFFAOYSA-N 1 0 229.323 2.197 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000229964640 633004360 /nfs/dbraw/zinc/00/43/60/633004360.db2.gz AHRPDOYHUCMKFZ-QWHCGFSZSA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(C)nc1C1CC1)C(C)(C)C ZINC000894517521 635904855 /nfs/dbraw/zinc/90/48/55/635904855.db2.gz KCCFNURFMYGPIG-CYBMUJFWSA-N 1 0 245.370 2.435 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](C)COC)c1 ZINC000170910927 633176377 /nfs/dbraw/zinc/17/63/77/633176377.db2.gz IUHVUZGAYDNIBZ-LLVKDONJSA-N 1 0 249.358 2.258 20 30 BEEDRO [NH2+]=C(NCc1ccsc1)Nc1ccccn1 ZINC000170912050 633176769 /nfs/dbraw/zinc/17/67/69/633176769.db2.gz YDQFEILKOQEDPK-UHFFFAOYSA-N 1 0 232.312 2.070 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000851770211 633181623 /nfs/dbraw/zinc/18/16/23/633181623.db2.gz PHHMWRZYBGOLJQ-LBPRGKRZSA-N 1 0 225.332 2.036 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccccc1OCC(F)F ZINC000894737901 635918932 /nfs/dbraw/zinc/91/89/32/635918932.db2.gz ITPYRBRAADRSDR-JTQLQIEISA-N 1 0 239.265 2.442 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccccc1OCC(F)F ZINC000894737902 635919349 /nfs/dbraw/zinc/91/93/49/635919349.db2.gz ITPYRBRAADRSDR-SNVBAGLBSA-N 1 0 239.265 2.442 20 30 BEEDRO C=CCCCCC[NH2+]C1(C(N)=O)CCCC1 ZINC000309609624 633212269 /nfs/dbraw/zinc/21/22/69/633212269.db2.gz ZBTOKKRQPXJTBS-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C=C(Cl)C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000309636563 633215313 /nfs/dbraw/zinc/21/53/13/633215313.db2.gz MUTNXFPTJZBQEE-UHFFFAOYSA-N 1 0 245.750 2.262 20 30 BEEDRO CCCCCCC[C@H](C)CNC(=O)C[NH3+] ZINC000236641068 633223643 /nfs/dbraw/zinc/22/36/43/633223643.db2.gz UUDQXCDZMPMHFA-NSHDSACASA-N 1 0 214.353 2.058 20 30 BEEDRO Cc1cc(F)c(C#N)c(N(C)CC[NH+](C)C)c1 ZINC000892776281 633223878 /nfs/dbraw/zinc/22/38/78/633223878.db2.gz FLSJVFGYLKFQRI-UHFFFAOYSA-N 1 0 235.306 2.004 20 30 BEEDRO C=CCNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000172549863 633229487 /nfs/dbraw/zinc/22/94/87/633229487.db2.gz BDDAFUJIUXCWHI-UHFFFAOYSA-N 1 0 243.310 2.066 20 30 BEEDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000304200041 635935799 /nfs/dbraw/zinc/93/57/99/635935799.db2.gz BYIKNOVYRTVTFH-QJPTWQEYSA-N 1 0 242.388 2.179 20 30 BEEDRO Cc1cnc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)s1 ZINC000304290737 635938532 /nfs/dbraw/zinc/93/85/32/635938532.db2.gz YXZHFAQGVBTISL-WCBMZHEXSA-N 1 0 239.344 2.031 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCO[C@H](C)C#N)C1 ZINC000304376846 635941218 /nfs/dbraw/zinc/94/12/18/635941218.db2.gz PTNONMJCGUCKGY-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)Cc1ccccc1 ZINC000306680561 635973009 /nfs/dbraw/zinc/97/30/09/635973009.db2.gz LHYQZMFNVGFAIL-ZDUSSCGKSA-N 1 0 232.327 2.437 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)Cc1cccc(F)c1 ZINC000310259226 636005449 /nfs/dbraw/zinc/00/54/49/636005449.db2.gz BWVGTXAXOHRCIJ-LLVKDONJSA-N 1 0 236.290 2.186 20 30 BEEDRO CC[C@@H](CC#N)NC1CC[NH+](C(C)C)CC1 ZINC000054181950 636047856 /nfs/dbraw/zinc/04/78/56/636047856.db2.gz HKKCLILJUJVBLU-LBPRGKRZSA-N 1 0 223.364 2.141 20 30 BEEDRO COCCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237219267 636056762 /nfs/dbraw/zinc/05/67/62/636056762.db2.gz MFUSCAXHQRAWHT-LBPRGKRZSA-N 1 0 248.326 2.104 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cs1 ZINC000895101899 636057218 /nfs/dbraw/zinc/05/72/18/636057218.db2.gz OFBXQGPVXDAMMX-YPMHNXCESA-N 1 0 248.351 2.231 20 30 BEEDRO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895157761 636099383 /nfs/dbraw/zinc/09/93/83/636099383.db2.gz FMCKSUWGZUWFOO-SRVKXCTJSA-N 1 0 242.363 2.171 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000320194443 636129319 /nfs/dbraw/zinc/12/93/19/636129319.db2.gz BSAMOCTWDWVWFT-OLZOCXBDSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926866520 633734859 /nfs/dbraw/zinc/73/48/59/633734859.db2.gz XWOXUULIIKFFHS-RYUDHWBXSA-N 1 0 224.348 2.231 20 30 BEEDRO C#CCN(C)CCC[NH2+]CC1(C)CCCC1 ZINC000328309651 633751566 /nfs/dbraw/zinc/75/15/66/633751566.db2.gz WRYNCWLTIVSBRI-UHFFFAOYSA-N 1 0 222.376 2.111 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)C(C)(C)CO ZINC000926874619 633761195 /nfs/dbraw/zinc/76/11/95/633761195.db2.gz RNQJTGYOLLICKT-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)C1(Br)CC1 ZINC000926875378 633762807 /nfs/dbraw/zinc/76/28/07/633762807.db2.gz ZFABUBFVCWHAIV-QMMMGPOBSA-N 1 0 245.164 2.442 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)[C@@H]1CCCO1 ZINC000309807549 633762886 /nfs/dbraw/zinc/76/28/86/633762886.db2.gz SODDFBHFBMPQHO-CRWXNKLISA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000893092059 633829184 /nfs/dbraw/zinc/82/91/84/633829184.db2.gz INWXQRRGZDLCCW-UHFFFAOYSA-N 1 0 206.264 2.032 20 30 BEEDRO C[N@@H+]1CCCC(=NOCC2CCC2)CC1 ZINC000853439507 633846736 /nfs/dbraw/zinc/84/67/36/633846736.db2.gz KAIOFKOUWWODGF-UHFFFAOYSA-N 1 0 210.321 2.275 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000309884819 633902928 /nfs/dbraw/zinc/90/29/28/633902928.db2.gz XQTYBXHVYLZNTL-NSHDSACASA-N 1 0 218.300 2.154 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000925531778 633926485 /nfs/dbraw/zinc/92/64/85/633926485.db2.gz NTTVCGWIJHJMQX-ZIAGYGMSSA-N 1 0 243.391 2.498 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000309513574 633939883 /nfs/dbraw/zinc/93/98/83/633939883.db2.gz QLJCPMPMWZNFPE-NXEZZACHSA-N 1 0 219.263 2.003 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CC2CCC1CC2 ZINC000309523570 633941982 /nfs/dbraw/zinc/94/19/82/633941982.db2.gz ULVZKFQHGLUVKJ-XVSSEFHLSA-N 1 0 222.332 2.083 20 30 BEEDRO c1ccc(CON=C2C[NH+]3CCC2CC3)cc1 ZINC000309940305 633966092 /nfs/dbraw/zinc/96/60/92/633966092.db2.gz GOKZGYIMMYQKCF-UHFFFAOYSA-N 1 0 230.311 2.285 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC1CCC1)[C@H]1CCCO1 ZINC000309781250 634004072 /nfs/dbraw/zinc/00/40/72/634004072.db2.gz RGYWOQMANANVSW-FPMFFAJLSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000309974465 634005966 /nfs/dbraw/zinc/00/59/66/634005966.db2.gz RSULDOLMBPJXJL-JTQLQIEISA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2COCC2(C)C)CC1 ZINC000895478261 636150246 /nfs/dbraw/zinc/15/02/46/636150246.db2.gz ZECTWKWHSRQGMJ-JHJVBQTASA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000895489504 636150386 /nfs/dbraw/zinc/15/03/86/636150386.db2.gz DLLVFEZQOSWYNU-JYJNAYRXSA-N 1 0 243.350 2.154 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000895490565 636151122 /nfs/dbraw/zinc/15/11/22/636151122.db2.gz QTWKWMPQSUGHDM-SOUVJXGZSA-N 1 0 235.371 2.485 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000895490559 636151344 /nfs/dbraw/zinc/15/13/44/636151344.db2.gz QTWKWMPQSUGHDM-RBSFLKMASA-N 1 0 235.371 2.485 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000895490612 636151427 /nfs/dbraw/zinc/15/14/27/636151427.db2.gz RIAVHACCURWJOC-HIFRSBDPSA-N 1 0 231.339 2.072 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCCCCC=C ZINC000895489711 636151685 /nfs/dbraw/zinc/15/16/85/636151685.db2.gz HBKUBSRQAUYHEB-ZIAGYGMSSA-N 1 0 223.360 2.485 20 30 BEEDRO CN1CC[N@H+](CC(C)(C)CCC#N)CC1(C)C ZINC000895564305 636157999 /nfs/dbraw/zinc/15/79/99/636157999.db2.gz FLSMPDPQPFJOGQ-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(C)(C)OC)cc1 ZINC000309971260 634054176 /nfs/dbraw/zinc/05/41/76/634054176.db2.gz PQYWXEUKHILDDP-UHFFFAOYSA-N 1 0 217.312 2.183 20 30 BEEDRO CSCCCCCNC(=[NH2+])N1CCCCC1 ZINC000187050695 634093132 /nfs/dbraw/zinc/09/31/32/634093132.db2.gz PQDUBNVOUNBUNZ-UHFFFAOYSA-N 1 0 243.420 2.320 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)COC(C)=O ZINC000893304521 634127994 /nfs/dbraw/zinc/12/79/94/634127994.db2.gz MSBZFVVEZIBOHY-WDEREUQCSA-N 1 0 213.321 2.272 20 30 BEEDRO CC1(C)C[C@@]1([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000931080259 634214642 /nfs/dbraw/zinc/21/46/42/634214642.db2.gz AUSUXIQVMIQUNK-UKRRQHHQSA-N 1 0 244.338 2.176 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000162628381 634235766 /nfs/dbraw/zinc/23/57/66/634235766.db2.gz IYOBINHYTLYUGJ-HOCLYGCPSA-N 1 0 242.366 2.262 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925697944 634361868 /nfs/dbraw/zinc/36/18/68/634361868.db2.gz PXWVVZXZOOIWTG-ODWCKFRGSA-N 1 0 241.400 2.187 20 30 BEEDRO N#CCC[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000336317959 635131064 /nfs/dbraw/zinc/13/10/64/635131064.db2.gz GGQUHDAQGYIIBL-JTQLQIEISA-N 1 0 225.295 2.138 20 30 BEEDRO CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](C)C#N)C1(C)C ZINC000893545632 635131756 /nfs/dbraw/zinc/13/17/56/635131756.db2.gz VAOXIIDNUHDOJK-GRYCIOLGSA-N 1 0 224.348 2.328 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893567307 635166509 /nfs/dbraw/zinc/16/65/09/635166509.db2.gz LBWSOZWXYUKEKK-LLVKDONJSA-N 1 0 241.718 2.072 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CC1(CCCOC)CCC1 ZINC000893567901 635167008 /nfs/dbraw/zinc/16/70/08/635167008.db2.gz PZPJJPNHXZXCIA-CYBMUJFWSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001010079971 635184941 /nfs/dbraw/zinc/18/49/41/635184941.db2.gz OCZKVHFTLHDNID-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)C1 ZINC000424335065 635188909 /nfs/dbraw/zinc/18/89/09/635188909.db2.gz WLLCNWPUIJTTSK-JFGNBEQYSA-N 1 0 230.315 2.069 20 30 BEEDRO N#CC1CCC([NH2+]CCc2ccncc2)CC1 ZINC000258698607 635192283 /nfs/dbraw/zinc/19/22/83/635192283.db2.gz FISZZHRGUMAXEU-UHFFFAOYSA-N 1 0 229.327 2.296 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1C[C@@]1(C)Br)C1CC1 ZINC000893613103 635261742 /nfs/dbraw/zinc/26/17/42/635261742.db2.gz XKUOBALXHVJHHB-GXSJLCMTSA-N 1 0 242.160 2.258 20 30 BEEDRO C=CCC[N@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC000980938183 635301905 /nfs/dbraw/zinc/30/19/05/635301905.db2.gz DPAIUELAANRHRQ-WLRTZDKTSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CC[N@H+]1CCCC2(CN(C(=O)/C(C)=C/C)C2)C1 ZINC000981699488 635389629 /nfs/dbraw/zinc/38/96/29/635389629.db2.gz ZCLCVTQGUPVTOS-WLRTZDKTSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CNOC1 ZINC000925859239 635553378 /nfs/dbraw/zinc/55/33/78/635553378.db2.gz GITXMVXSFFWAAF-VXGBXAGGSA-N 1 0 212.337 2.004 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000411642767 635560568 /nfs/dbraw/zinc/56/05/68/635560568.db2.gz LMSIOFPNFRUJRN-STQMWFEESA-N 1 0 246.358 2.292 20 30 BEEDRO C=C1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000895878258 636180226 /nfs/dbraw/zinc/18/02/26/636180226.db2.gz XUWCTQDGGOBXAG-ZDUSSCGKSA-N 1 0 248.370 2.086 20 30 BEEDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506708 636199120 /nfs/dbraw/zinc/19/91/20/636199120.db2.gz VOUFWBNHWRSBGI-LBPRGKRZSA-N 1 0 230.311 2.436 20 30 BEEDRO Cc1ccsc1CNC(=[NH2+])N1CCCCC1 ZINC000303781441 636312980 /nfs/dbraw/zinc/31/29/80/636312980.db2.gz MGGBDBOSIDIUHM-UHFFFAOYSA-N 1 0 237.372 2.357 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304276033 636322718 /nfs/dbraw/zinc/32/27/18/636322718.db2.gz BFAZFAZDGIFGSU-GFCCVEGCSA-N 1 0 231.343 2.189 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000342235190 636342510 /nfs/dbraw/zinc/34/25/10/636342510.db2.gz QDTMGSJAFFCGOO-VXGBXAGGSA-N 1 0 235.327 2.110 20 30 BEEDRO N#Cc1c(F)cccc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089092333 636373020 /nfs/dbraw/zinc/37/30/20/636373020.db2.gz HHRNBOQMNHMEBZ-CABZTGNLSA-N 1 0 233.290 2.237 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000168502386 636405559 /nfs/dbraw/zinc/40/55/59/636405559.db2.gz RQJIKBFKUVHUFN-UHFFFAOYSA-N 1 0 228.336 2.067 20 30 BEEDRO CN1CC[NH+]=C1NCC(C)(C)C1CCCCC1 ZINC000262642780 636415053 /nfs/dbraw/zinc/41/50/53/636415053.db2.gz ICKIFVANZNOTGL-UHFFFAOYSA-N 1 0 237.391 2.484 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000840728681 636438610 /nfs/dbraw/zinc/43/86/10/636438610.db2.gz MQQXFGQUTWQHTP-GFCCVEGCSA-N 1 0 231.343 2.283 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C ZINC000985975081 636459635 /nfs/dbraw/zinc/45/96/35/636459635.db2.gz ZPZHHMTWURSJTQ-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C=C2CCC2)[C@@H]1C ZINC000986153341 636533711 /nfs/dbraw/zinc/53/37/11/636533711.db2.gz WJCJFNCWBPTDSP-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000174613094 636561794 /nfs/dbraw/zinc/56/17/94/636561794.db2.gz LMDSWJUDMKCUIO-UHFFFAOYSA-N 1 0 219.332 2.141 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)nc1 ZINC000800491104 636726671 /nfs/dbraw/zinc/72/66/71/636726671.db2.gz TVPHIVDTJZUFKH-CYBMUJFWSA-N 1 0 227.311 2.376 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988582291 636740252 /nfs/dbraw/zinc/74/02/52/636740252.db2.gz AXPCJJWQQUXGBV-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591590 636743693 /nfs/dbraw/zinc/74/36/93/636743693.db2.gz RICCUIWYFBASLR-WDEREUQCSA-N 1 0 240.322 2.015 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000897844752 636837038 /nfs/dbraw/zinc/83/70/38/636837038.db2.gz VHQLRGXUQJMOJY-NFMDPKQHSA-N 1 0 221.344 2.234 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CSC(C)(C)C ZINC000186697191 636858186 /nfs/dbraw/zinc/85/81/86/636858186.db2.gz YWEWKZVKDMMNGN-GHMZBOCLSA-N 1 0 231.405 2.433 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000083532215 636872699 /nfs/dbraw/zinc/87/26/99/636872699.db2.gz LVLBYXKIAJNTAR-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCC[N@@H+]1CC[C@]2(NC(=O)CC)CCC[C@H]12 ZINC000989875638 636887899 /nfs/dbraw/zinc/88/78/99/636887899.db2.gz ASFWGRSFURYUIR-GXTWGEPZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[N@@H+]1CC[C@]2(NC(=O)CC3CC3)CCC[C@@H]12 ZINC000989903091 636893069 /nfs/dbraw/zinc/89/30/69/636893069.db2.gz ITNZZQNHSFWDRL-UKRRQHHQSA-N 1 0 248.370 2.086 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCCO1 ZINC000927025117 636994581 /nfs/dbraw/zinc/99/45/81/636994581.db2.gz ZTDZDHWHGNZMGS-YNEHKIRRSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C1CCN(OC)CC1 ZINC000323506183 637004780 /nfs/dbraw/zinc/00/47/80/637004780.db2.gz PLILRANVWPLEAA-UHFFFAOYSA-N 1 0 226.364 2.204 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1cccc(C#N)c1 ZINC000927145179 637053558 /nfs/dbraw/zinc/05/35/58/637053558.db2.gz PDFPMHIVHFTMRU-QEJZJMRPSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](CO)C1 ZINC000927144240 637053995 /nfs/dbraw/zinc/05/39/95/637053995.db2.gz JWFIGQJENUUFQU-XUXIUFHCSA-N 1 0 223.360 2.482 20 30 BEEDRO CCN1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924746996 637071467 /nfs/dbraw/zinc/07/14/67/637071467.db2.gz HTNPNIGORMNSQT-CHWSQXEVSA-N 1 0 237.391 2.389 20 30 BEEDRO N#CCCCC[NH2+]C[C@H](O)c1ccccc1 ZINC000042223111 637086025 /nfs/dbraw/zinc/08/60/25/637086025.db2.gz WSMCSYAHTTXJMV-ZDUSSCGKSA-N 1 0 218.300 2.003 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)CC[C@H]1C ZINC000900903215 637197286 /nfs/dbraw/zinc/19/72/86/637197286.db2.gz GPDWUALNIUGMGZ-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)CC1(C)C ZINC000900928604 637212261 /nfs/dbraw/zinc/21/22/61/637212261.db2.gz WWYBLLCLJOTUQS-NSHDSACASA-N 1 0 238.375 2.141 20 30 BEEDRO C/C=C\C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903069436 637340525 /nfs/dbraw/zinc/34/05/25/637340525.db2.gz GTEUPLHZMBOCDM-XOULXFPDSA-N 1 0 201.273 2.180 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000903093203 637343310 /nfs/dbraw/zinc/34/33/10/637343310.db2.gz HBFKTLNLNRSADA-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1OC ZINC000903167733 637350746 /nfs/dbraw/zinc/35/07/46/637350746.db2.gz OVPWBMIMWQGVPM-RFGFWPKPSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC(C)(C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000904510162 637429507 /nfs/dbraw/zinc/42/95/07/637429507.db2.gz NQASKPDOKNEPSM-UHFFFAOYSA-N 1 0 247.342 2.492 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@H]([NH3+])C(C)C)no1 ZINC000904498933 637432482 /nfs/dbraw/zinc/43/24/82/637432482.db2.gz FGBFRKNVCQWRJU-GXSJLCMTSA-N 1 0 223.320 2.480 20 30 BEEDRO C=CCCc1noc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000904732762 637463062 /nfs/dbraw/zinc/46/30/62/637463062.db2.gz CTSHXDYCXRJLFB-SECBINFHSA-N 1 0 223.320 2.104 20 30 BEEDRO C=CCCc1noc([C@H]2CCCC[C@H]2[NH3+])n1 ZINC000904732771 637463090 /nfs/dbraw/zinc/46/30/90/637463090.db2.gz CZFZYVMEGBUWSD-VHSXEESVSA-N 1 0 221.304 2.173 20 30 BEEDRO C[NH+](C)CCn1cc(-c2ccsc2C#N)cn1 ZINC000904895994 637527069 /nfs/dbraw/zinc/52/70/69/637527069.db2.gz UOGYLRDMGPLJEI-UHFFFAOYSA-N 1 0 246.339 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905274429 637731541 /nfs/dbraw/zinc/73/15/41/637731541.db2.gz SCISGPOFXRUERY-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905279509 637735128 /nfs/dbraw/zinc/73/51/28/637735128.db2.gz JRUQQFSALBRSTE-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO Cc1cccc([C@@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000905291102 637741068 /nfs/dbraw/zinc/74/10/68/637741068.db2.gz PMPDFGAMRKHCRF-CFVMTHIKSA-N 1 0 244.338 2.310 20 30 BEEDRO C[C@@](O)(C[NH2+]CC1(C#N)CCCCC1)C(F)F ZINC000905385037 637784996 /nfs/dbraw/zinc/78/49/96/637784996.db2.gz NKKZZIFCXSFFMW-LLVKDONJSA-N 1 0 246.301 2.066 20 30 BEEDRO N#CCC[NH2+]CC[C@@H]1CCCC1(F)F ZINC000905416722 637802638 /nfs/dbraw/zinc/80/26/38/637802638.db2.gz CYHSCYWDRNYNSQ-VIFPVBQESA-N 1 0 202.248 2.315 20 30 BEEDRO CC1(C)C[C@]1(C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905424448 637810936 /nfs/dbraw/zinc/81/09/36/637810936.db2.gz GNFFMOOHDLISSV-DGCLKSJQSA-N 1 0 236.359 2.067 20 30 BEEDRO C=C[C@@H](C)ON=C1C[C@H]2CCC[N@@H+](C1)C2 ZINC000905483415 637820741 /nfs/dbraw/zinc/82/07/41/637820741.db2.gz HQGIBUHBORLACH-GHMZBOCLSA-N 1 0 208.305 2.049 20 30 BEEDRO C=CCCCOc1cccc(N2CC[NH2+]CC2)c1 ZINC000905611965 637866627 /nfs/dbraw/zinc/86/66/27/637866627.db2.gz AVXQZVLNDRBSOP-UHFFFAOYSA-N 1 0 246.354 2.441 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000905664612 637876041 /nfs/dbraw/zinc/87/60/41/637876041.db2.gz CLUIXTDWQJLTIT-YVECIDJPSA-N 1 0 236.359 2.065 20 30 BEEDRO C[C@@H](C[NH2+]CCC#N)c1ccccc1[N+](=O)[O-] ZINC000905642327 637880030 /nfs/dbraw/zinc/88/00/30/637880030.db2.gz HNVXPCGSVVVSFQ-JTQLQIEISA-N 1 0 233.271 2.202 20 30 BEEDRO N#CCC[NH2+]CC[C@@H]1CCC(F)(F)C1 ZINC000905674555 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BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911633530 639691721 /nfs/dbraw/zinc/69/17/21/639691721.db2.gz HFXYUPHJYYLOJM-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCCCCCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000930459898 639763284 /nfs/dbraw/zinc/76/32/84/639763284.db2.gz FFHIQDBERZDIFM-CQSZACIVSA-N 1 0 238.375 2.060 20 30 BEEDRO C=CC1(CC(=O)NCC[C@H](C)[NH3+])CCCCC1 ZINC000911741157 639768307 /nfs/dbraw/zinc/76/83/07/639768307.db2.gz QCPAHMDQUZFMJB-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](C)N1C ZINC000930579206 639813591 /nfs/dbraw/zinc/81/35/91/639813591.db2.gz CVJJRODQOCGPQZ-DGKWVBSXSA-N 1 0 249.402 2.341 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000930599519 639816904 /nfs/dbraw/zinc/81/69/04/639816904.db2.gz ABOTYPPFPBOFII-NXEZZACHSA-N 1 0 237.265 2.081 20 30 BEEDRO CC(C)C[C@@]1(C)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930608463 639819128 /nfs/dbraw/zinc/81/91/28/639819128.db2.gz PHWOFDNXVIBYKG-CHWSQXEVSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000911824005 639838035 /nfs/dbraw/zinc/83/80/35/639838035.db2.gz LTZCENGNDIMSKU-JHJVBQTASA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](COC)C(C)C ZINC000930646246 639841361 /nfs/dbraw/zinc/84/13/61/639841361.db2.gz MNAJFABNYXYORV-MJBXVCDLSA-N 1 0 241.375 2.228 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCc1cccnc1 ZINC000930650293 639845117 /nfs/dbraw/zinc/84/51/17/639845117.db2.gz LZASNCZWHTXEPB-CABCVRRESA-N 1 0 246.354 2.337 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867233 639851409 /nfs/dbraw/zinc/85/14/09/639851409.db2.gz JSXUMAGDLWBPSK-LLVKDONJSA-N 1 0 226.364 2.032 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)[C@H]1CCC[C@H](C)C1 ZINC000930667226 639854780 /nfs/dbraw/zinc/85/47/80/639854780.db2.gz OOCOAQQAFSPIFG-ZDEQEGDKSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1CC ZINC000911899120 639861338 /nfs/dbraw/zinc/86/13/38/639861338.db2.gz 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ZINC000931016484 640020156 /nfs/dbraw/zinc/02/01/56/640020156.db2.gz DUFHMZDAZPHFJG-UHFFFAOYSA-N 1 0 249.358 2.269 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)CC ZINC000912306914 640022630 /nfs/dbraw/zinc/02/26/30/640022630.db2.gz GIOBSDVUWVTLDK-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931040286 640035028 /nfs/dbraw/zinc/03/50/28/640035028.db2.gz YIDDITKIUJHGNF-URGYJCLVSA-N 1 0 249.402 2.341 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC1CC1 ZINC000931063034 640051674 /nfs/dbraw/zinc/05/16/74/640051674.db2.gz OCINYRYTLVMHDX-TXEJJXNPSA-N 1 0 207.317 2.348 20 30 BEEDRO C#CC1(O)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000931151193 640079307 /nfs/dbraw/zinc/07/93/07/640079307.db2.gz HLMAZBUJYWARDM-UHFFFAOYSA-N 1 0 233.355 2.027 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2[nH]c(C)nc2C)C1 ZINC000931162656 640082150 /nfs/dbraw/zinc/08/21/50/640082150.db2.gz FABKCLQABXDMRW-GFCCVEGCSA-N 1 0 219.332 2.425 20 30 BEEDRO CCC[NH+]=C(NCCCOCC)NC(C)(C)C ZINC000912498688 640095594 /nfs/dbraw/zinc/09/55/94/640095594.db2.gz DRFINKMJAPFZGL-UHFFFAOYSA-N 1 0 243.395 2.157 20 30 BEEDRO C=C(C)CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506177 640101084 /nfs/dbraw/zinc/10/10/84/640101084.db2.gz JXZXRLDHGQKLNC-UHFFFAOYSA-N 1 0 209.337 2.059 20 30 BEEDRO C[C@H](C[N@H+](C)C[C@H](O)CC#N)C1CCCCC1 ZINC000931254960 640114503 /nfs/dbraw/zinc/11/45/03/640114503.db2.gz DIBUKHMPTDEVNK-TZMCWYRMSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316008 640154554 /nfs/dbraw/zinc/15/45/54/640154554.db2.gz FTJLKABIEYLUOY-MCIONIFRSA-N 1 0 222.376 2.225 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC#N)Cc2c[nH]nc21 ZINC000931460085 640215281 /nfs/dbraw/zinc/21/52/81/640215281.db2.gz VFBBBMMYXPGOJX-JTQLQIEISA-N 1 0 218.304 2.023 20 30 BEEDRO C[C@@H](CCC#N)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931460149 640216377 /nfs/dbraw/zinc/21/63/77/640216377.db2.gz DTZOTRDFMLQFOO-ZJUUUORDSA-N 1 0 218.304 2.021 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468545 640227527 /nfs/dbraw/zinc/22/75/27/640227527.db2.gz ZWFLHFVZWHVIKD-VHSXEESVSA-N 1 0 205.305 2.293 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC000931507123 640239037 /nfs/dbraw/zinc/23/90/37/640239037.db2.gz MRBNLEVWTVCLJZ-UONOGXRCSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](CCOC1CC1)CCc1cccc(C#N)c1 ZINC000931508781 640240113 /nfs/dbraw/zinc/24/01/13/640240113.db2.gz GOAIZKZPBCVCRI-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO CCCN[NH+]=C1CCCc2ccc(N)cc21 ZINC000382343320 711484800 /nfs/dbraw/zinc/48/48/00/711484800.db2.gz CYXAAIMCSCEDRV-UHFFFAOYSA-N 1 0 217.316 2.309 20 30 BEEDRO C[C@]1(c2ccccc2)CCC[N@@H+]1C[C@H](O)CC#N ZINC000931693982 640321631 /nfs/dbraw/zinc/32/16/31/640321631.db2.gz GPTWSUGLVJPOMH-HUUCEWRRSA-N 1 0 244.338 2.272 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC000931715554 640335306 /nfs/dbraw/zinc/33/53/06/640335306.db2.gz XXGTZPBJEHXNCD-HNNXBMFYSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC000931715555 640336951 /nfs/dbraw/zinc/33/69/51/640336951.db2.gz XXGTZPBJEHXNCD-OAHLLOKOSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000931745543 640347500 /nfs/dbraw/zinc/34/75/00/640347500.db2.gz UUTHTVKDAHYQAT-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO CC[C@H](CO)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000931766742 640359997 /nfs/dbraw/zinc/35/99/97/640359997.db2.gz FSDHHSSAWVFUDE-CYBMUJFWSA-N 1 0 237.730 2.052 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000931768581 640360409 /nfs/dbraw/zinc/36/04/09/640360409.db2.gz RYWOQYKRJDVNLG-ZDUSSCGKSA-N 1 0 246.354 2.348 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)cc(C#N)c1 ZINC000931774161 640367016 /nfs/dbraw/zinc/36/70/16/640367016.db2.gz XLKCNIJCIGYPON-LBPRGKRZSA-N 1 0 238.718 2.072 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)C)C[C@H]1C ZINC000947071288 640370278 /nfs/dbraw/zinc/37/02/78/640370278.db2.gz SANQLFHUCQFKKI-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000931897468 640384918 /nfs/dbraw/zinc/38/49/18/640384918.db2.gz OWZDICKDONQZJY-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931932407 640394265 /nfs/dbraw/zinc/39/42/65/640394265.db2.gz STKWSOWVOANXLT-HRCADAONSA-N 1 0 243.350 2.197 20 30 BEEDRO CC#CC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931930663 640394570 /nfs/dbraw/zinc/39/45/70/640394570.db2.gz IZAPUSVHIARZEJ-LSDHHAIUSA-N 1 0 211.308 2.283 20 30 BEEDRO C=CCN1CCC([NH2+]C2CCCC2)CC1 ZINC000163927457 640430201 /nfs/dbraw/zinc/43/02/01/640430201.db2.gz DWCGDCBJFIYNIC-UHFFFAOYSA-N 1 0 208.349 2.169 20 30 BEEDRO C=C(Cl)CN1CCC[C@H](c2ccn(C)n2)C1 ZINC000932130207 640435060 /nfs/dbraw/zinc/43/50/60/640435060.db2.gz MXTDMRKUUPRRRM-NSHDSACASA-N 1 0 239.750 2.352 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C2(C)CC=CC2)CC1 ZINC000932140716 640438608 /nfs/dbraw/zinc/43/86/08/640438608.db2.gz GGBGSVDZYNUGCP-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO 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C=CCCC[N@@H+](CC)CCS(=O)(=O)CCC ZINC000934649255 641236161 /nfs/dbraw/zinc/23/61/61/641236161.db2.gz PKYNGNFRXUSPHG-UHFFFAOYSA-N 1 0 247.404 2.099 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934692693 641247141 /nfs/dbraw/zinc/24/71/41/641247141.db2.gz OIUYCCFRMNPFKJ-HUUCEWRRSA-N 1 0 246.354 2.449 20 30 BEEDRO C=CCN1C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C1 ZINC000934797481 641275007 /nfs/dbraw/zinc/27/50/07/641275007.db2.gz RZXNLOJRIMJSFN-AOOOYVTPSA-N 1 0 236.281 2.129 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)C[C@@H]1C ZINC000947151847 641302795 /nfs/dbraw/zinc/30/27/95/641302795.db2.gz HGFHNIFWYNCSAV-JSGCOSHPSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(OCC)c1O ZINC000174613297 641310544 /nfs/dbraw/zinc/31/05/44/641310544.db2.gz BGZGAGKKAWBPGV-UHFFFAOYSA-N 1 0 233.311 2.294 20 30 BEEDRO Cc1ccccc1[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929458239 641322135 /nfs/dbraw/zinc/32/21/35/641322135.db2.gz ODIFSOQGHGAXSW-UONOGXRCSA-N 1 0 244.338 2.059 20 30 BEEDRO 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CNC(NC[C@H](Cc1ccccc1)C(C)C)=[NH+]C ZINC000188962502 641777538 /nfs/dbraw/zinc/77/75/38/641777538.db2.gz CESSZZULMJUPIM-AWEZNQCLSA-N 1 0 247.386 2.296 20 30 BEEDRO CC#CC[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000076016126 641787476 /nfs/dbraw/zinc/78/74/76/641787476.db2.gz QFPBLIFOPZKFAL-HNNXBMFYSA-N 1 0 231.339 2.374 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@](C)(O)c1ccccc1 ZINC000189420363 641807862 /nfs/dbraw/zinc/80/78/62/641807862.db2.gz YVZFBWANLXXNTF-OAHLLOKOSA-N 1 0 249.354 2.029 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@@]1(CC)CO ZINC000189639493 641815263 /nfs/dbraw/zinc/81/52/63/641815263.db2.gz RNZDHCLDBAPROD-JTQLQIEISA-N 1 0 248.164 2.132 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000324449599 641874372 /nfs/dbraw/zinc/87/43/72/641874372.db2.gz KHHXTEYQBWTNJD-GJZGRUSLSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(C)OCCCO1 ZINC000190670009 641880336 /nfs/dbraw/zinc/88/03/36/641880336.db2.gz YGSJYAPAWPAPQX-NWDGAFQWSA-N 1 0 227.348 2.330 20 30 BEEDRO CC(CC(C)(C)c1ccccc1)N=NC(N)=[NH2+] ZINC000915959098 641888419 /nfs/dbraw/zinc/88/84/19/641888419.db2.gz IUCBODLGSLKFNN-UHFFFAOYSA-N 1 0 232.331 2.213 20 30 BEEDRO Cc1cccc(C=NNCC[NH+]2CCCCC2)c1 ZINC000915973249 641890607 /nfs/dbraw/zinc/89/06/07/641890607.db2.gz DPZAZBFHIMPNRU-UHFFFAOYSA-N 1 0 245.370 2.404 20 30 BEEDRO C(=NNCC[NH+]1CCCCC1)[C@H]1CC=CCC1 ZINC000915973340 641890653 /nfs/dbraw/zinc/89/06/53/641890653.db2.gz FNIXFWAMCQPCML-AWEZNQCLSA-N 1 0 235.375 2.404 20 30 BEEDRO C#CCCCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000191885312 641949113 /nfs/dbraw/zinc/94/91/13/641949113.db2.gz FBOKFXVELMQFQG-UHFFFAOYSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CC[N@@H+](CC(=O)NC(C)(C)CC)C(C)C ZINC000917070996 642000710 /nfs/dbraw/zinc/00/07/10/642000710.db2.gz LTKLFXKXHYJHDI-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCN(Cc1nc(C2CC2)no1)C(C)C ZINC000917069172 642002531 /nfs/dbraw/zinc/00/25/31/642002531.db2.gz JNYVSJRPZDLVNF-UHFFFAOYSA-N 1 0 221.304 2.343 20 30 BEEDRO C=CC[N@@H+](CC(=O)N(CC)CC(=C)C)C(C)C 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COc1cccc(CN(CCC#N)CC(C)C)n1 ZINC000070093665 642967506 /nfs/dbraw/zinc/96/75/06/642967506.db2.gz GSTJALGVWVBQHC-UHFFFAOYSA-N 1 0 247.342 2.462 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C ZINC001017462823 642977236 /nfs/dbraw/zinc/97/72/36/642977236.db2.gz VVYBJGCHIZCSGR-TVEFPQPASA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C=C2CCCCC2)C1 ZINC001020015219 643052241 /nfs/dbraw/zinc/05/22/41/643052241.db2.gz UUFFWBVPJIIDQQ-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000163121312 643071653 /nfs/dbraw/zinc/07/16/53/643071653.db2.gz TYDTWVQOTATCKU-MNOVXSKESA-N 1 0 217.740 2.364 20 30 BEEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC000969490941 643179054 /nfs/dbraw/zinc/17/90/54/643179054.db2.gz WSHXAVPNNWOCSG-GFCCVEGCSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOC/C=C/Cl ZINC000811667864 643180351 /nfs/dbraw/zinc/18/03/51/643180351.db2.gz FSNOTDIQRXXRBX-CNQFPKSKSA-N 1 0 228.723 2.226 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000183908657 643180873 /nfs/dbraw/zinc/18/08/73/643180873.db2.gz QTOXTQPNYDFMQZ-GFCCVEGCSA-N 1 0 239.359 2.500 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932382558 643191072 /nfs/dbraw/zinc/19/10/72/643191072.db2.gz ABRYMMDLPRGJRW-RISCZKNCSA-N 1 0 245.326 2.051 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001020563000 643203987 /nfs/dbraw/zinc/20/39/87/643203987.db2.gz ZGLYCKQWRAKQPX-JOCQHMNTSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000306729109 643225187 /nfs/dbraw/zinc/22/51/87/643225187.db2.gz CKVXQYGDJSTJCE-SNVBAGLBSA-N 1 0 217.740 2.222 20 30 BEEDRO C#CC[N@H+](Cc1ccc(C(N)=O)cc1)C(C)(C)C ZINC000932466014 643270556 /nfs/dbraw/zinc/27/05/56/643270556.db2.gz QMVJAGCTQXATKY-UHFFFAOYSA-N 1 0 244.338 2.019 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)CC)CC1(C)C ZINC000995490589 643305707 /nfs/dbraw/zinc/30/57/07/643305707.db2.gz BEBFLNPXLNEFGJ-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(SC)cc1 ZINC000072802987 643306784 /nfs/dbraw/zinc/30/67/84/643306784.db2.gz JTXFLKWUZVYQLM-UHFFFAOYSA-N 1 0 205.326 2.474 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000932488153 643313504 /nfs/dbraw/zinc/31/35/04/643313504.db2.gz KFMXYCGHKNLMRS-BXUZGUMPSA-N 1 0 249.741 2.316 20 30 BEEDRO C#CCC[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000306448868 643325086 /nfs/dbraw/zinc/32/50/86/643325086.db2.gz XMQMUZBCAISHKI-UHFFFAOYSA-N 1 0 203.207 2.204 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC000970155725 643343400 /nfs/dbraw/zinc/34/34/00/643343400.db2.gz UCQAFWOQJWHDDI-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000082945737 643390063 /nfs/dbraw/zinc/39/00/63/643390063.db2.gz NZBUTLLKJWCTGM-CHWSQXEVSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC ZINC001032249804 643400695 /nfs/dbraw/zinc/40/06/95/643400695.db2.gz SRGQVYGVOWJORG-STQMWFEESA-N 1 0 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BEEDRO C=C(C)C[N@H+]1CC=C(CNC(=O)C2CCC2)CC1 ZINC001000357882 643776110 /nfs/dbraw/zinc/77/61/10/643776110.db2.gz UURSMBKBRHXDCC-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CCOC1 ZINC000921783094 643784706 /nfs/dbraw/zinc/78/47/06/643784706.db2.gz MWBIRFYZBZZFHF-ONGXEEELSA-N 1 0 236.340 2.134 20 30 BEEDRO C#CCCC[NH2+]Cc1nccc2c1CCCC2 ZINC000921794204 643791428 /nfs/dbraw/zinc/79/14/28/643791428.db2.gz ROTJJYRNQJVWBL-UHFFFAOYSA-N 1 0 228.339 2.463 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)CCO ZINC000921801639 643795758 /nfs/dbraw/zinc/79/57/58/643795758.db2.gz MWVWEMILNPHLCS-NSHDSACASA-N 1 0 246.354 2.283 20 30 BEEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)c1cn[nH]c1 ZINC000921935581 643829649 /nfs/dbraw/zinc/82/96/49/643829649.db2.gz KZCGGWBAQCKBFP-MRVPVSSYSA-N 1 0 232.312 2.194 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000921992919 643840214 /nfs/dbraw/zinc/84/02/14/643840214.db2.gz CEKPGNMZPXZDDA-QJPTWQEYSA-N 1 0 229.389 2.187 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCC[C@H](C)O ZINC000922074498 643857437 /nfs/dbraw/zinc/85/74/37/643857437.db2.gz TWHSFUBRJPUMTM-ZDUSSCGKSA-N 1 0 246.354 2.426 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000922079647 643860604 /nfs/dbraw/zinc/86/06/04/643860604.db2.gz RGOGVHQKGGNJLM-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000922115200 643864110 /nfs/dbraw/zinc/86/41/10/643864110.db2.gz UARQYLHMAPSBGN-UHFFFAOYSA-N 1 0 237.274 2.278 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccnn1C1CCC1 ZINC000922166283 643886785 /nfs/dbraw/zinc/88/67/85/643886785.db2.gz CJSAJFCKCYFKDS-LBPRGKRZSA-N 1 0 249.358 2.025 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000922171091 643890023 /nfs/dbraw/zinc/89/00/23/643890023.db2.gz GAKTUCXGJNTEJH-HUUCEWRRSA-N 1 0 244.338 2.178 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000922179909 643893983 /nfs/dbraw/zinc/89/39/83/643893983.db2.gz OHCHTTKTIIKXIT-PHIMTYICSA-N 1 0 236.340 2.277 20 30 BEEDRO 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218.275 2.256 20 30 BEEDRO C#CCC1([NH2+]Cc2nccs2)CCC1 ZINC000922998778 644224403 /nfs/dbraw/zinc/22/44/03/644224403.db2.gz XUDCCSBYSHQHAD-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO C#CCC1([NH2+]Cc2ccccc2O)CCC1 ZINC000923002244 644226677 /nfs/dbraw/zinc/22/66/77/644226677.db2.gz ZWBXWOFGJSZMHK-UHFFFAOYSA-N 1 0 215.296 2.428 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](CO)C2)C1 ZINC000923005595 644232398 /nfs/dbraw/zinc/23/23/98/644232398.db2.gz YRSDYEKZWHXMNL-CYDGBPFRSA-N 1 0 209.333 2.092 20 30 BEEDRO CSC1(CNC(=[NH2+])N2CCCCC2)CCC1 ZINC000193299353 644232488 /nfs/dbraw/zinc/23/24/88/644232488.db2.gz WKHLNBYWSBFKEO-UHFFFAOYSA-N 1 0 241.404 2.073 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCC1CCCC1 ZINC000194686076 644340250 /nfs/dbraw/zinc/34/02/50/644340250.db2.gz KUBIUOXDGSILQL-SNVBAGLBSA-N 1 0 211.353 2.270 20 30 BEEDRO C=CC[C@H](C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923530029 644487182 /nfs/dbraw/zinc/48/71/82/644487182.db2.gz FNJBSUYRTRKCEF-STQMWFEESA-N 1 0 208.349 2.169 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000088230929 644515122 /nfs/dbraw/zinc/51/51/22/644515122.db2.gz URTLBNMIFPZAJY-LBPRGKRZSA-N 1 0 226.364 2.154 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC)C[C@H]1C ZINC000946936628 644527400 /nfs/dbraw/zinc/52/74/00/644527400.db2.gz JXMHKNSBJRUONY-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000088748761 644527609 /nfs/dbraw/zinc/52/76/09/644527609.db2.gz YDLXOCFYYPXAGZ-CABCVRRESA-N 1 0 242.322 2.290 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC=CCC2)cc1 ZINC000088748758 644528463 /nfs/dbraw/zinc/52/84/63/644528463.db2.gz YDLXOCFYYPXAGZ-LSDHHAIUSA-N 1 0 242.322 2.290 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000839043302 644554642 /nfs/dbraw/zinc/55/46/42/644554642.db2.gz QCJNTTMLYHAAKC-OLZOCXBDSA-N 1 0 239.359 2.452 20 30 BEEDRO C/C=C(\C)C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000089984410 644576132 /nfs/dbraw/zinc/57/61/32/644576132.db2.gz VEXDZQMAXVXWEH-UWUHSAQLSA-N 1 0 237.343 2.230 20 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Cc1ccccc1CNC(=[NH2+])NCC1CCC1 ZINC000303773724 644844011 /nfs/dbraw/zinc/84/40/11/644844011.db2.gz FJUKYJXKIOBIAC-UHFFFAOYSA-N 1 0 231.343 2.199 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCc1ccco1 ZINC000303774033 644844773 /nfs/dbraw/zinc/84/47/73/644844773.db2.gz FSTFMIGDUMSCEO-UHFFFAOYSA-N 1 0 237.347 2.307 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000801924717 644845150 /nfs/dbraw/zinc/84/51/50/644845150.db2.gz TYNMSJKZTCTTEM-TZMCWYRMSA-N 1 0 230.311 2.362 20 30 BEEDRO CC(C)NC(=[NH2+])NCCc1ccccc1Cl ZINC000303777111 644846134 /nfs/dbraw/zinc/84/61/34/644846134.db2.gz IQHRPMUTOHIOTB-UHFFFAOYSA-N 1 0 239.750 2.195 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])NC(C)C)c1ccccc1 ZINC000303790808 644846295 /nfs/dbraw/zinc/84/62/95/644846295.db2.gz WWRNJUQDPLYCEC-LBPRGKRZSA-N 1 0 233.359 2.493 20 30 BEEDRO CC[C@]1(C)CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801926308 644846820 /nfs/dbraw/zinc/84/68/20/644846820.db2.gz VSKHNRHWFSFERO-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H]1CCCC[C@H]1C ZINC000303868722 644851505 /nfs/dbraw/zinc/85/15/05/644851505.db2.gz DLNUDRQNUSEWGP-VXGBXAGGSA-N 1 0 225.380 2.469 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1CCC(C)CC1 ZINC000303884055 644854909 /nfs/dbraw/zinc/85/49/09/644854909.db2.gz MOALBWRMUDCRLP-UHFFFAOYSA-N 1 0 225.380 2.469 20 30 BEEDRO CCNC(NC[C@H]1C[C@@H]1c1ccccc1)=[NH+]CC ZINC000304079814 644869917 /nfs/dbraw/zinc/86/99/17/644869917.db2.gz YJPREBFOGDVCCM-ZIAGYGMSSA-N 1 0 245.370 2.365 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1cc(C(C)C)no1 ZINC000304112465 644870756 /nfs/dbraw/zinc/87/07/56/644870756.db2.gz GRCMEDMNCYFSLD-VIFPVBQESA-N 1 0 238.335 2.001 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccccc1 ZINC000304201726 644874870 /nfs/dbraw/zinc/87/48/70/644874870.db2.gz CEKVDAQVIDTTTR-NWDGAFQWSA-N 1 0 218.300 2.266 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)C1CCCCC1 ZINC000304201553 644875560 /nfs/dbraw/zinc/87/55/60/644875560.db2.gz CDDBBJTZOFGNTE-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1csc([C@H](C)[NH2+]CCO[C@H](C)C#N)n1 ZINC000304237564 644879027 /nfs/dbraw/zinc/87/90/27/644879027.db2.gz MVNSLBXYKUQPQS-ZJUUUORDSA-N 1 0 239.344 2.031 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000304239763 644880195 /nfs/dbraw/zinc/88/01/95/644880195.db2.gz NLPADSKEQTXONP-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000304241432 644881099 /nfs/dbraw/zinc/88/10/99/644881099.db2.gz NUZFOGIWJQXEHT-LPWJVIDDSA-N 1 0 224.348 2.329 20 30 BEEDRO CC(C)C1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000304251710 644882345 /nfs/dbraw/zinc/88/23/45/644882345.db2.gz RCQZBGCVAKUHPG-LBPRGKRZSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCSC(C)(C)CC1 ZINC000304255832 644882362 /nfs/dbraw/zinc/88/23/62/644882362.db2.gz SBSLBFYDWXRDAX-LLVKDONJSA-N 1 0 242.388 2.133 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCC(C)(C)CC1 ZINC000304276124 644883584 /nfs/dbraw/zinc/88/35/84/644883584.db2.gz WLBGRFAAQMXSBS-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000304268865 644884535 /nfs/dbraw/zinc/88/45/35/644884535.db2.gz VHVPZRFXFAUHTO-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[NH+]=C(NCCCSC)NC(C)(C)C ZINC000304302760 644889988 /nfs/dbraw/zinc/88/99/88/644889988.db2.gz IMNDHVVQGVVUCI-UHFFFAOYSA-N 1 0 231.409 2.093 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000809683618 644895736 /nfs/dbraw/zinc/89/57/36/644895736.db2.gz GGNIAAPQSBBLMK-GHMZBOCLSA-N 1 0 224.307 2.246 20 30 BEEDRO CC(C)NC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000304749355 644929791 /nfs/dbraw/zinc/92/97/91/644929791.db2.gz HQUGLNJUVXXBQM-UHFFFAOYSA-N 1 0 245.326 2.288 20 30 BEEDRO [NH2+]=C(NCCCC1CC1)NCCc1ccccc1 ZINC000304758449 644930664 /nfs/dbraw/zinc/93/06/64/644930664.db2.gz QAFIPRVHIFZUHV-UHFFFAOYSA-N 1 0 245.370 2.324 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1C ZINC000304760540 644930790 /nfs/dbraw/zinc/93/07/90/644930790.db2.gz SNDVEHJXAZUUGA-UONOGXRCSA-N 1 0 243.354 2.331 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304765840 644932866 /nfs/dbraw/zinc/93/28/66/644932866.db2.gz ZVNWLTAUFMFALT-STQMWFEESA-N 1 0 245.370 2.493 20 30 BEEDRO COC(C)(C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000304764829 644933007 /nfs/dbraw/zinc/93/30/07/644933007.db2.gz YNAWMGWZSWOVTK-UHFFFAOYSA-N 1 0 249.358 2.455 20 30 BEEDRO CCO[C@H](CCNC(=[NH2+])NC(C)(C)C)C(C)C ZINC000304810174 644934268 /nfs/dbraw/zinc/93/42/68/644934268.db2.gz WDNISNYNOIPULX-LLVKDONJSA-N 1 0 243.395 2.140 20 30 BEEDRO CC(C)C1(CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000304842709 644937334 /nfs/dbraw/zinc/93/73/34/644937334.db2.gz KZLDWCVXHDBFGU-GFCCVEGCSA-N 1 0 237.391 2.469 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000823949095 645052752 /nfs/dbraw/zinc/05/27/52/645052752.db2.gz ANRSHYWMVMDJTL-UHFFFAOYSA-N 1 0 248.326 2.003 20 30 BEEDRO C#CCCC[NH2+]C1CCC(COC)CC1 ZINC000823949151 645053114 /nfs/dbraw/zinc/05/31/14/645053114.db2.gz BKBUGMZFJRZNOC-UHFFFAOYSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH+]2CC(CC#N)C2)CCO1 ZINC000826990472 645071100 /nfs/dbraw/zinc/07/11/00/645071100.db2.gz GRHQVEMBDZCQNR-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO CCCCCCCC[NH+]1CC(C)(C(N)=O)C1 ZINC000829054662 645106382 /nfs/dbraw/zinc/10/63/82/645106382.db2.gz UGPWCSZFBBLVRN-UHFFFAOYSA-N 1 0 226.364 2.154 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCc2nc(C)no2)C1 ZINC000829804221 645111300 /nfs/dbraw/zinc/11/13/00/645111300.db2.gz FJYHWPKSCGKTLL-ZDUSSCGKSA-N 1 0 247.342 2.046 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000829804566 645112100 /nfs/dbraw/zinc/11/21/00/645112100.db2.gz JDHHJDPQOUJHAU-CQSZACIVSA-N 1 0 231.343 2.009 20 30 BEEDRO C#CC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000830311683 645118273 /nfs/dbraw/zinc/11/82/73/645118273.db2.gz SZCXPVMPMYNWLK-UHFFFAOYSA-N 1 0 218.300 2.137 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000830345556 645120673 /nfs/dbraw/zinc/12/06/73/645120673.db2.gz IDLXODSQCYNOKL-STQMWFEESA-N 1 0 202.301 2.024 20 30 BEEDRO C=CCNN=C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000834977922 645152413 /nfs/dbraw/zinc/15/24/13/645152413.db2.gz SFQSLHSJJIFKBD-HNNXBMFYSA-N 1 0 245.370 2.267 20 30 BEEDRO C=CCN[NH+]=C1CCCc2cc(N)ccc21 ZINC000834977665 645152533 /nfs/dbraw/zinc/15/25/33/645152533.db2.gz POYWNKJURWZDBU-UHFFFAOYSA-N 1 0 215.300 2.085 20 30 BEEDRO CC(C)OCCO[NH+]=C1CCc2cc(N)ccc21 ZINC000834978394 645153645 /nfs/dbraw/zinc/15/36/45/645153645.db2.gz FIHJCMSBFXBFSS-UHFFFAOYSA-N 1 0 248.326 2.361 20 30 BEEDRO C=CC(C)(C)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000835721442 645169368 /nfs/dbraw/zinc/16/93/68/645169368.db2.gz JZVCMZYSXHZMRD-NSHDSACASA-N 1 0 227.348 2.328 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1nn(CC)nc1C ZINC000926517484 645248907 /nfs/dbraw/zinc/24/89/07/645248907.db2.gz CARMUMCZWYFJPG-SNVBAGLBSA-N 1 0 222.336 2.223 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccnnc1 ZINC000926518749 645248984 /nfs/dbraw/zinc/24/89/84/645248984.db2.gz AMUAKSMVMVAWKM-SNVBAGLBSA-N 1 0 205.305 2.339 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCCO1 ZINC000842869459 645254829 /nfs/dbraw/zinc/25/48/29/645254829.db2.gz IHBBGVIIADPTMS-NEPJUHHUSA-N 1 0 243.297 2.335 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)C1(Cl)CC1 ZINC000926532578 645258842 /nfs/dbraw/zinc/25/88/42/645258842.db2.gz UEATXJDHUHHSLT-MXWKQRLJSA-N 1 0 229.751 2.470 20 30 BEEDRO CCC[C@H]([NH2+]CCC#N)[C@H](O)c1ccccc1 ZINC000843090293 645263518 /nfs/dbraw/zinc/26/35/18/645263518.db2.gz WHTLWKATFSDZNF-UONOGXRCSA-N 1 0 232.327 2.392 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926546601 645269340 /nfs/dbraw/zinc/26/93/40/645269340.db2.gz UUSQMVKBSSAWQU-DGAVXFQQSA-N 1 0 221.344 2.258 20 30 BEEDRO C[C@H](NCC(C)(C)CC#N)c1ncco1 ZINC000926567546 645287371 /nfs/dbraw/zinc/28/73/71/645287371.db2.gz IJWMYYQKABJCKE-VIFPVBQESA-N 1 0 207.277 2.265 20 30 BEEDRO C[C@@H]1COC[C@@H](C)C1[NH2+]CC(C)(C)CC#N ZINC000926569328 645290583 /nfs/dbraw/zinc/29/05/83/645290583.db2.gz QEUPADXMCZHSJO-GHMZBOCLSA-N 1 0 224.348 2.187 20 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QQDCBHPLHSNSCF-JTQLQIEISA-N 1 0 207.321 2.454 20 30 BEEDRO C#CC1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000852205079 645473795 /nfs/dbraw/zinc/47/37/95/645473795.db2.gz ICRXXNJNHNSRQR-HUUCEWRRSA-N 1 0 248.414 2.310 20 30 BEEDRO C#C[C@@H]1CCCN(Cc2nc(C)oc2C)C1 ZINC000852216117 645474231 /nfs/dbraw/zinc/47/42/31/645474231.db2.gz UNTJUTRAWUZJAL-GFCCVEGCSA-N 1 0 218.300 2.137 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000852216184 645475314 /nfs/dbraw/zinc/47/53/14/645475314.db2.gz VLFNAWRCALPRPQ-AWEZNQCLSA-N 1 0 238.334 2.446 20 30 BEEDRO C#C[C@@H]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000852216317 645475796 /nfs/dbraw/zinc/47/57/96/645475796.db2.gz ZETKKPQRSLTDJV-BZUAXINKSA-N 1 0 248.414 2.310 20 30 BEEDRO C=C(Cl)CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000852749326 645487318 /nfs/dbraw/zinc/48/73/18/645487318.db2.gz KOKHFCOKECRXMR-NEPJUHHUSA-N 1 0 228.767 2.203 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926963428 645500586 /nfs/dbraw/zinc/50/05/86/645500586.db2.gz FEWLTOVDNWPGIA-NEPJUHHUSA-N 1 0 232.327 2.380 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000926963430 645502153 /nfs/dbraw/zinc/50/21/53/645502153.db2.gz FEWLTOVDNWPGIA-RYUDHWBXSA-N 1 0 232.327 2.380 20 30 BEEDRO CCC[C@H](O)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000927020691 645509938 /nfs/dbraw/zinc/50/99/38/645509938.db2.gz YMLVNDJTLODEJR-AVGNSLFASA-N 1 0 224.348 2.209 20 30 BEEDRO CCC[C@H](O)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000927022340 645512834 /nfs/dbraw/zinc/51/28/34/645512834.db2.gz QSCSNOAWINOPTK-NEPJUHHUSA-N 1 0 226.364 2.455 20 30 BEEDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000927025718 645527228 /nfs/dbraw/zinc/52/72/28/645527228.db2.gz YNHZNUIZZJKEIP-AAEUAGOBSA-N 1 0 247.342 2.155 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1[C@H](CC)CCC[C@@H]1C ZINC000856274020 645535383 /nfs/dbraw/zinc/53/53/83/645535383.db2.gz XBKSGFJIYWQLFU-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO CCC[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927165097 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645796901 /nfs/dbraw/zinc/79/69/01/645796901.db2.gz DSNNERJURZUAHJ-GHMZBOCLSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(C#N)cn1)OC ZINC000877459851 645797073 /nfs/dbraw/zinc/79/70/73/645797073.db2.gz NOYGWISONSLWKD-FZMZJTMJSA-N 1 0 247.342 2.104 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CC=C(C(=O)OC)C1 ZINC000877650804 645805412 /nfs/dbraw/zinc/80/54/12/645805412.db2.gz DXYRHEIRUQXFPB-AWEZNQCLSA-N 1 0 249.354 2.422 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000877650077 645805560 /nfs/dbraw/zinc/80/55/60/645805560.db2.gz NEBIKCOIVUEJRJ-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000877650229 645806543 /nfs/dbraw/zinc/80/65/43/645806543.db2.gz PTVSJQPZSOVOJG-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000877650230 645806625 /nfs/dbraw/zinc/80/66/25/645806625.db2.gz PTVSJQPZSOVOJG-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 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ZINC000930352029 645956200 /nfs/dbraw/zinc/95/62/00/645956200.db2.gz XGDSBNPIJRNVGO-WCQYABFASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(C)CCc1noc(C2(C[NH+](C)C)CC2)n1 ZINC000924067565 645976424 /nfs/dbraw/zinc/97/64/24/645976424.db2.gz VEBLESJPBAUNMB-UHFFFAOYSA-N 1 0 235.331 2.172 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnn(CCF)c1 ZINC000929220265 646019526 /nfs/dbraw/zinc/01/95/26/646019526.db2.gz ZKKSDJBEQUCHPG-UHFFFAOYSA-N 1 0 225.311 2.251 20 30 BEEDRO N#CC1(CCCC[N@@H+](CCO)C2CC2)CCC1 ZINC000929266321 646044887 /nfs/dbraw/zinc/04/48/87/646044887.db2.gz MEWITMWQXRHIFC-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000929290421 646064759 /nfs/dbraw/zinc/06/47/59/646064759.db2.gz RYIDZXHSRDGVMJ-ZIAGYGMSSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[N@@H+](Cc1cncc(C(=O)OC)c1)C(C)C ZINC000929291721 646065316 /nfs/dbraw/zinc/06/53/16/646065316.db2.gz BISXOVXRFMRYPL-UHFFFAOYSA-N 1 0 248.326 2.265 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](CC)CO ZINC000929361978 646095700 /nfs/dbraw/zinc/09/57/00/646095700.db2.gz AKWOHFWLKXZKSZ-CQSZACIVSA-N 1 0 235.302 2.032 20 30 BEEDRO CC(C)[N@H+](CC[N+](=O)[O-])Cc1ccc(C#N)cc1 ZINC000929380540 646103777 /nfs/dbraw/zinc/10/37/77/646103777.db2.gz PFWUVOOJTBRSSY-UHFFFAOYSA-N 1 0 247.298 2.045 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC1CCC(C#N)CC1 ZINC000929471734 646127710 /nfs/dbraw/zinc/12/77/10/646127710.db2.gz IODAGUPYAXZFNZ-PNESKVBLSA-N 1 0 219.332 2.408 20 30 BEEDRO COCC(C)(C)[NH2+]CC1CCC(C#N)CC1 ZINC000929498826 646135012 /nfs/dbraw/zinc/13/50/12/646135012.db2.gz CQUQYCMPPIGWBE-UHFFFAOYSA-N 1 0 224.348 2.331 20 30 BEEDRO COc1ccnc([C@H](C)[NH2+]CCCCC#N)c1 ZINC000924941611 646135707 /nfs/dbraw/zinc/13/57/07/646135707.db2.gz HBNKYWCCYQJWRD-NSHDSACASA-N 1 0 233.315 2.435 20 30 BEEDRO C[C@H]1CC2(CC([NH2+]CCCCC#N)C2)CO1 ZINC000924942238 646135881 /nfs/dbraw/zinc/13/58/81/646135881.db2.gz MOHBYAYGPYALCP-HIFPTAJRSA-N 1 0 222.332 2.227 20 30 BEEDRO CN(C)[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929487279 646143709 /nfs/dbraw/zinc/14/37/09/646143709.db2.gz KVJQNCHNFWBLLV-NRXISQOPSA-N 1 0 249.402 2.342 20 30 BEEDRO CC[N@H+](CCO)CCCCC1(C#N)CCC1 ZINC000929514736 646165090 /nfs/dbraw/zinc/16/50/90/646165090.db2.gz XFKIBNACNWDGJB-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000925159768 646196614 /nfs/dbraw/zinc/19/66/14/646196614.db2.gz IKRPVJMKVLWBBB-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000925158816 646197493 /nfs/dbraw/zinc/19/74/93/646197493.db2.gz BFADBWRFDXFYSW-LLVKDONJSA-N 1 0 218.300 2.154 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000925162301 646198041 /nfs/dbraw/zinc/19/80/41/646198041.db2.gz UNILDFQWCSCBBB-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2C[C@H]2C(=O)OCC)CC1 ZINC000929618554 646203150 /nfs/dbraw/zinc/20/31/50/646203150.db2.gz LDFVPGLNYIZWAT-QWHCGFSZSA-N 1 0 237.343 2.084 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000925256930 646223888 /nfs/dbraw/zinc/22/38/88/646223888.db2.gz NQBABPOQAUQGQX-NWDGAFQWSA-N 1 0 242.326 2.492 20 30 BEEDRO N#CC1CCC(C[N@@H+](CCCO)C2CC2)CC1 ZINC000929666718 646230482 /nfs/dbraw/zinc/23/04/82/646230482.db2.gz HJTHWQMITUAGAS-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000925527420 646313595 /nfs/dbraw/zinc/31/35/95/646313595.db2.gz QQICPSQESPPQDI-GFCCVEGCSA-N 1 0 234.347 2.313 20 30 BEEDRO C[C@]1(O)CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929789848 646317556 /nfs/dbraw/zinc/31/75/56/646317556.db2.gz SZDZHUCWOGTOFY-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000925544193 646324474 /nfs/dbraw/zinc/32/44/74/646324474.db2.gz ZKGZBFIRTJDXGS-CMPLNLGQSA-N 1 0 246.358 2.185 20 30 BEEDRO C[N@H+](C[C@@H](O)C1CC1)CC1CCC(C#N)CC1 ZINC000929805041 646326712 /nfs/dbraw/zinc/32/67/12/646326712.db2.gz AMKCBPDCDVHVGG-ORHYLEIMSA-N 1 0 236.359 2.019 20 30 BEEDRO C=C(Cl)CN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925568043 646334236 /nfs/dbraw/zinc/33/42/36/646334236.db2.gz HZIQKGJGEJZBSN-ZYHUDNBSSA-N 1 0 224.735 2.417 20 30 BEEDRO CC(C)C[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000929831431 646345824 /nfs/dbraw/zinc/34/58/24/646345824.db2.gz FCSGTHJSVUOYDX-CHWSQXEVSA-N 1 0 224.348 2.019 20 30 BEEDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929851718 646352194 /nfs/dbraw/zinc/35/21/94/646352194.db2.gz AHALZWIYKXYJTN-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)CC[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929854777 646360494 /nfs/dbraw/zinc/36/04/94/646360494.db2.gz OHOGRUDFNJLIIM-QWHCGFSZSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(CN[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000925636203 646380352 /nfs/dbraw/zinc/38/03/52/646380352.db2.gz RRDRDNAZQPXIKB-ZFWWWQNUSA-N 1 0 230.355 2.430 20 30 BEEDRO C[C@@H]1NCCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000925652857 646389054 /nfs/dbraw/zinc/38/90/54/646389054.db2.gz BGIURTOPCFKAEN-GFJIZPEISA-N 1 0 235.375 2.046 20 30 BEEDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930006729 646393372 /nfs/dbraw/zinc/39/33/72/646393372.db2.gz WUSDHFWCZZQSQS-YNEHKIRRSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000925692807 646418265 /nfs/dbraw/zinc/41/82/65/646418265.db2.gz BLZXHGFGDKZFKB-NWDGAFQWSA-N 1 0 224.348 2.089 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000925694862 646419837 /nfs/dbraw/zinc/41/98/37/646419837.db2.gz GMDXTZBNSMOGQU-JOYOIKCWSA-N 1 0 238.331 2.127 20 30 BEEDRO CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000925704138 646429177 /nfs/dbraw/zinc/42/91/77/646429177.db2.gz IGNKFQDCYUSKIJ-UMSGYPCISA-N 1 0 235.375 2.174 20 30 BEEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H]([NH3+])C1 ZINC000925704136 646429678 /nfs/dbraw/zinc/42/96/78/646429678.db2.gz IGNKFQDCYUSKIJ-LOWDOPEQSA-N 1 0 235.375 2.174 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000930120092 646441959 /nfs/dbraw/zinc/44/19/59/646441959.db2.gz WBYAIKSXMVPAMY-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(N)ccn1 ZINC000925769519 646471391 /nfs/dbraw/zinc/47/13/91/646471391.db2.gz AJGXAYXBQYYSTM-GFCCVEGCSA-N 1 0 219.332 2.498 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926116211 646576172 /nfs/dbraw/zinc/57/61/72/646576172.db2.gz PWEFIVJXNVGEPQ-KBPBESRZSA-N 1 0 241.375 2.110 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926131566 646581122 /nfs/dbraw/zinc/58/11/22/646581122.db2.gz FVCQXWKMIFWRHB-QWHCGFSZSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926152175 646583647 /nfs/dbraw/zinc/58/36/47/646583647.db2.gz FJSPGIHENKVWCG-RYUDHWBXSA-N 1 0 249.358 2.196 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000926152363 646584497 /nfs/dbraw/zinc/58/44/97/646584497.db2.gz HFGLJOINVSQQRW-WDEREUQCSA-N 1 0 249.310 2.003 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1nonc1C ZINC000926197163 646592631 /nfs/dbraw/zinc/59/26/31/646592631.db2.gz BYLHLKVHGRUZCV-SECBINFHSA-N 1 0 209.293 2.385 20 30 BEEDRO C=CCCCC[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926200460 646593281 /nfs/dbraw/zinc/59/32/81/646593281.db2.gz TYKIPQWCQAPYEU-MNOVXSKESA-N 1 0 220.320 2.230 20 30 BEEDRO CSC1CC([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000926202058 646594137 /nfs/dbraw/zinc/59/41/37/646594137.db2.gz IVKSIIAFHSZIAO-SAAXCQNUSA-N 1 0 210.346 2.162 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926200462 646594583 /nfs/dbraw/zinc/59/45/83/646594583.db2.gz TYKIPQWCQAPYEU-WDEREUQCSA-N 1 0 220.320 2.230 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1(Cl)CC1 ZINC000926229366 646599999 /nfs/dbraw/zinc/59/99/99/646599999.db2.gz VUWQJAAHWUKXPP-SECBINFHSA-N 1 0 235.718 2.203 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926253735 646600455 /nfs/dbraw/zinc/60/04/55/646600455.db2.gz VGCUADBLAFJWFL-OUAUKWLOSA-N 1 0 212.337 2.328 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000926318092 646616099 /nfs/dbraw/zinc/61/60/99/646616099.db2.gz TYBAFDRZWMUZOG-VCTAVGKDSA-N 1 0 242.322 2.170 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccnnc1 ZINC000926349994 646623247 /nfs/dbraw/zinc/62/32/47/646623247.db2.gz FRKCQFBXHZCWQG-CMPLNLGQSA-N 1 0 205.305 2.482 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)c2ncnn21 ZINC000926426586 646636821 /nfs/dbraw/zinc/63/68/21/646636821.db2.gz JSAGATCSMYYNDZ-GHMZBOCLSA-N 1 0 247.346 2.203 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926449360 646641421 /nfs/dbraw/zinc/64/14/21/646641421.db2.gz FSEPTMPCYJNZOV-GHMZBOCLSA-N 1 0 246.358 2.185 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1nonc1C ZINC000926523452 646659114 /nfs/dbraw/zinc/65/91/14/646659114.db2.gz YURAHTRJRVDCKB-QMMMGPOBSA-N 1 0 209.293 2.241 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C1CC1)C(C)(C)C ZINC000926491013 646660987 /nfs/dbraw/zinc/66/09/87/646660987.db2.gz UDVGARLINLFMRI-AWEZNQCLSA-N 1 0 236.403 2.356 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2ncnn2CC)CC1 ZINC000724459730 711582179 /nfs/dbraw/zinc/58/21/79/711582179.db2.gz VSJKFOZCNSHYBI-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135265701 711601820 /nfs/dbraw/zinc/60/18/20/711601820.db2.gz YQPFJRDEPARYQM-SNVBAGLBSA-N 1 0 218.256 2.269 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cncc(C#N)c1 ZINC000721557226 711624870 /nfs/dbraw/zinc/62/48/70/711624870.db2.gz AFSGOHHYKLCFGV-PHIMTYICSA-N 1 0 215.300 2.326 20 30 BEEDRO N#Cc1cncc(CN2CC[C@H](C(F)F)C2)c1 ZINC000721573072 711649286 /nfs/dbraw/zinc/64/92/86/711649286.db2.gz SEBSGLQSTKFKFA-NSHDSACASA-N 1 0 237.253 2.040 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000382240680 711669909 /nfs/dbraw/zinc/66/99/09/711669909.db2.gz GHRSGIWCBFPZNF-ZJUUUORDSA-N 1 0 248.164 2.442 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721624508 711671433 /nfs/dbraw/zinc/67/14/33/711671433.db2.gz USTXFOOUVYSDIQ-GHMZBOCLSA-N 1 0 217.316 2.477 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000178059789 711674360 /nfs/dbraw/zinc/67/43/60/711674360.db2.gz GWRQEADBKVYTEI-SNVBAGLBSA-N 1 0 206.264 2.285 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000229875829 711677959 /nfs/dbraw/zinc/67/79/59/711677959.db2.gz DYNDBQWDLSVIBB-CYBMUJFWSA-N 1 0 228.295 2.068 20 30 BEEDRO C=CCC(C)(C)CNc1cc(C)[nH+]c(N)n1 ZINC000310015915 711702123 /nfs/dbraw/zinc/70/21/23/711702123.db2.gz KXULRNCADMJSKB-UHFFFAOYSA-N 1 0 220.320 2.381 20 30 BEEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000894854519 711772870 /nfs/dbraw/zinc/77/28/70/711772870.db2.gz JTHOSANMMFFFHC-UHFFFAOYSA-N 1 0 222.288 2.318 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000895202448 711779970 /nfs/dbraw/zinc/77/99/70/711779970.db2.gz ODXMVINZSIXIIM-NSHDSACASA-N 1 0 219.284 2.133 20 30 BEEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CC1(F)F ZINC000897630337 711798598 /nfs/dbraw/zinc/79/85/98/711798598.db2.gz VYGQVDYQGKZXRJ-SVRRBLITSA-N 1 0 243.282 2.148 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@]1(C)CCCOC1 ZINC000925299260 711797625 /nfs/dbraw/zinc/79/76/25/711797625.db2.gz ATDJOCJRZGTIFG-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000159750182 711804566 /nfs/dbraw/zinc/80/45/66/711804566.db2.gz IDCHUDCYINWFNM-KPPDAEKUSA-N 1 0 240.347 2.206 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(C)(C)C ZINC000702307450 712044095 /nfs/dbraw/zinc/04/40/95/712044095.db2.gz PSHRUNOKBVFDEF-VXGBXAGGSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)C(C)(C)C ZINC000702278924 712044765 /nfs/dbraw/zinc/04/47/65/712044765.db2.gz ZSSXKVIGTSOWEZ-AVGNSLFASA-N 1 0 222.376 2.107 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C/C=C/C(=O)OCC)C1 ZINC000703691208 712083935 /nfs/dbraw/zinc/08/39/35/712083935.db2.gz SHHPTXYCZGBYHK-PZBABLGHSA-N 1 0 223.316 2.004 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C/C=C(\C)C(=O)OC)C1 ZINC000703689925 712083992 /nfs/dbraw/zinc/08/39/92/712083992.db2.gz JOVILJHAHMZTHH-IGEMTJHASA-N 1 0 223.316 2.004 20 30 BEEDRO CCCCCCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000703752176 712085031 /nfs/dbraw/zinc/08/50/31/712085031.db2.gz HEQYDVTYRCIGFT-GFCCVEGCSA-N 1 0 226.364 2.200 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000705942467 712138402 /nfs/dbraw/zinc/13/84/02/712138402.db2.gz UDYXRWLLCCLPGY-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO Cc1nccn1CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709991030 712237904 /nfs/dbraw/zinc/23/79/04/712237904.db2.gz PVGFKCSSNZHDNM-NSHDSACASA-N 1 0 234.347 2.110 20 30 BEEDRO C=C(Cl)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000710602482 712264109 /nfs/dbraw/zinc/26/41/09/712264109.db2.gz TZRAIJFQAGRWBK-SECBINFHSA-N 1 0 228.727 2.077 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711345571 712294992 /nfs/dbraw/zinc/29/49/92/712294992.db2.gz LNNUUNOCBSGSDK-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000711428847 712299927 /nfs/dbraw/zinc/29/99/27/712299927.db2.gz ATVLXXYVHXIQFP-CYBMUJFWSA-N 1 0 218.275 2.350 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000379418752 712384170 /nfs/dbraw/zinc/38/41/70/712384170.db2.gz WPFPCLYPZKQDAS-ZJUUUORDSA-N 1 0 248.164 2.300 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725063484 712393055 /nfs/dbraw/zinc/39/30/55/712393055.db2.gz ABRFONXREWVTRE-LLVKDONJSA-N 1 0 217.740 2.270 20 30 BEEDRO CC1(C)CC[C@H](C[NH+]2CCC(C#N)CC2)OC1 ZINC000713617459 712467053 /nfs/dbraw/zinc/46/70/53/712467053.db2.gz DTHKLMPEBRLMMB-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715935398 712544100 /nfs/dbraw/zinc/54/41/00/712544100.db2.gz OEWUJKSSOQTMSY-NSHDSACASA-N 1 0 236.363 2.458 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1ccns1 ZINC000716059476 712549301 /nfs/dbraw/zinc/54/93/01/712549301.db2.gz ZOLFIMQUOUNRFB-VIFPVBQESA-N 1 0 209.318 2.488 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(F)cc1F ZINC000716857408 712578834 /nfs/dbraw/zinc/57/88/34/712578834.db2.gz ROMPRCNFWTUPLT-GFCCVEGCSA-N 1 0 239.265 2.093 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CCC(C)C ZINC000716928466 712596487 /nfs/dbraw/zinc/59/64/87/712596487.db2.gz JERSWESCKIKKBZ-OLZOCXBDSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1sccc1C ZINC000716930068 712596534 /nfs/dbraw/zinc/59/65/34/712596534.db2.gz XIYZPZRUZBIMRV-NSHDSACASA-N 1 0 223.341 2.184 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1 ZINC000716929341 712596553 /nfs/dbraw/zinc/59/65/53/712596553.db2.gz RMLCVZHKCWUIFX-AWEZNQCLSA-N 1 0 217.312 2.123 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CCC(C)C ZINC000716928469 712596569 /nfs/dbraw/zinc/59/65/69/712596569.db2.gz JERSWESCKIKKBZ-STQMWFEESA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)cc1 ZINC000716929342 712596602 /nfs/dbraw/zinc/59/66/02/712596602.db2.gz RMLCVZHKCWUIFX-CQSZACIVSA-N 1 0 217.312 2.123 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(Cl)c1 ZINC000716937016 712597777 /nfs/dbraw/zinc/59/77/77/712597777.db2.gz SJKUINRFFPOXIR-CYBMUJFWSA-N 1 0 237.730 2.468 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000716928699 712596387 /nfs/dbraw/zinc/59/63/87/712596387.db2.gz MAJQDMXKEHPBTF-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCOCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000851795590 712612243 /nfs/dbraw/zinc/61/22/43/712612243.db2.gz GFORNGZUHZZHSH-GFCCVEGCSA-N 1 0 215.296 2.213 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000379855713 712617175 /nfs/dbraw/zinc/61/71/75/712617175.db2.gz BYNIFZLKORBYBN-YUMQZZPRSA-N 1 0 243.656 2.438 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccs1)[C@H]1CCCO1 ZINC000379896464 712621711 /nfs/dbraw/zinc/62/17/11/712621711.db2.gz CBCXVIFOFXNFHD-NWDGAFQWSA-N 1 0 221.325 2.019 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000880484296 712633314 /nfs/dbraw/zinc/63/33/14/712633314.db2.gz UGCACFFQAYMZDY-CYBMUJFWSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CCC1(O)CC[NH+](CCCOC(C)C)CC1 ZINC000717403582 712655549 /nfs/dbraw/zinc/65/55/49/712655549.db2.gz APSCOIUDWFQKLJ-UHFFFAOYSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC1(O)CC[NH+](C/C=C/Cl)CC1 ZINC000717397501 712655039 /nfs/dbraw/zinc/65/50/39/712655039.db2.gz JLSUNVYGEMGEBB-XVNBXDOJSA-N 1 0 215.724 2.142 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000717425629 712658112 /nfs/dbraw/zinc/65/81/12/712658112.db2.gz XHPZROOPRHFKBH-UHFFFAOYSA-N 1 0 245.313 2.435 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)Cc1cccs1 ZINC000717741804 712668608 /nfs/dbraw/zinc/66/86/08/712668608.db2.gz ZFPUUMUTZSKDTK-VXGBXAGGSA-N 1 0 237.368 2.043 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000717760571 712673671 /nfs/dbraw/zinc/67/36/71/712673671.db2.gz NKXUVQBTIHDCBW-UONOGXRCSA-N 1 0 235.371 2.463 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@H](C)c1ccccc1 ZINC000717840514 712691278 /nfs/dbraw/zinc/69/12/78/712691278.db2.gz HVFMMTNWYPZAAV-ZFWWWQNUSA-N 1 0 231.339 2.154 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718856412 712786107 /nfs/dbraw/zinc/78/61/07/712786107.db2.gz CXVZAFOTHGEVIZ-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(C2OCCO2)CC1 ZINC000718981639 712790788 /nfs/dbraw/zinc/79/07/88/712790788.db2.gz XXSXKMNONJLBKH-LLVKDONJSA-N 1 0 225.332 2.036 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000720282332 712830186 /nfs/dbraw/zinc/83/01/86/712830186.db2.gz PWRQTVFANYFYTQ-SECBINFHSA-N 1 0 222.288 2.054 20 30 BEEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)CCO1 ZINC000720461548 712844637 /nfs/dbraw/zinc/84/46/37/712844637.db2.gz UCVBDTZAVGYIRY-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H]([NH2+]CCC1CCOCC1)C(C)C ZINC000380345915 712891321 /nfs/dbraw/zinc/89/13/21/712891321.db2.gz TVYZTDNFFKPWOJ-ZDUSSCGKSA-N 1 0 209.333 2.051 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC23CCC3)cc1 ZINC000721210714 712898743 /nfs/dbraw/zinc/89/87/43/712898743.db2.gz WDMJPCORPXUPHP-ZIAGYGMSSA-N 1 0 242.322 2.124 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721208540 712898797 /nfs/dbraw/zinc/89/87/97/712898797.db2.gz SIYGQQSHBVXSKP-QWHCGFSZSA-N 1 0 241.400 2.290 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1[nH]nc2ccccc21 ZINC000381575365 710655988 /nfs/dbraw/zinc/65/59/88/710655988.db2.gz ZNKAFEFECODBAX-JTQLQIEISA-N 1 0 213.284 2.064 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000381578595 710657309 /nfs/dbraw/zinc/65/73/09/710657309.db2.gz DJCKSASIUBBHOP-AGIUHOORSA-N 1 0 220.316 2.351 20 30 BEEDRO C=CCCCc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000381566637 710657568 /nfs/dbraw/zinc/65/75/68/710657568.db2.gz SXAMFUPOKICLHY-JTQLQIEISA-N 1 0 209.293 2.234 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC001019793843 710674119 /nfs/dbraw/zinc/67/41/19/710674119.db2.gz FCFOAGIXWCPOSY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1=CCCC1 ZINC001038171152 710676704 /nfs/dbraw/zinc/67/67/04/710676704.db2.gz UMHGLSSNBBWEAW-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000393781044 710682739 /nfs/dbraw/zinc/68/27/39/710682739.db2.gz OXNHSXRASNBTFP-RYUDHWBXSA-N 1 0 226.364 2.365 20 30 BEEDRO CC(C)(O)[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000721845397 710687633 /nfs/dbraw/zinc/68/76/33/710687633.db2.gz HFKUJFAIMPBGPS-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCCC#N)CCO1 ZINC000721847530 710688107 /nfs/dbraw/zinc/68/81/07/710688107.db2.gz ORVQAAJQCDOPTN-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)C[C@@H]2C=CCC2)C1 ZINC001042457374 710783880 /nfs/dbraw/zinc/78/38/80/710783880.db2.gz BQLGDRPFRIUHNB-CYBMUJFWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)C2CC=CC2)C1 ZINC001042560246 710791633 /nfs/dbraw/zinc/79/16/33/710791633.db2.gz GTWOWZRJWNGGQP-UHFFFAOYSA-N 1 0 248.370 2.061 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cncc(F)c1 ZINC000384193695 710814926 /nfs/dbraw/zinc/81/49/26/710814926.db2.gz WWHGHBBVJHGYCB-LBPRGKRZSA-N 1 0 206.264 2.112 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000384193143 710815461 /nfs/dbraw/zinc/81/54/61/710815461.db2.gz ICUDZEYIYBLXPJ-RISCZKNCSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000384205469 710822480 /nfs/dbraw/zinc/82/24/80/710822480.db2.gz NBXIUFQOPPWRFW-OAHLLOKOSA-N 1 0 244.338 2.325 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)[C@H](C)C1 ZINC001044522640 710828572 /nfs/dbraw/zinc/82/85/72/710828572.db2.gz JNMDMKQBDFDOBE-WQYAIIHGSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)[C@H](C)C1 ZINC001044530508 710828668 /nfs/dbraw/zinc/82/86/68/710828668.db2.gz LCDHCVUXXFURFD-WXYBXBMJSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C2=CCCC2)C1 ZINC001046240538 710856719 /nfs/dbraw/zinc/85/67/19/710856719.db2.gz SDWRSECGIGAJRF-HNNXBMFYSA-N 1 0 248.370 2.253 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000903108976 710892801 /nfs/dbraw/zinc/89/28/01/710892801.db2.gz JKHQBUYUYALZGI-STQMWFEESA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071349746 710868303 /nfs/dbraw/zinc/86/83/03/710868303.db2.gz LJNNNTLGYGIWCM-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071349747 710868542 /nfs/dbraw/zinc/86/85/42/710868542.db2.gz LJNNNTLGYGIWCM-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001071350777 710868729 /nfs/dbraw/zinc/86/87/29/710868729.db2.gz ZMOLRAVCGIQUEQ-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001071350776 710868955 /nfs/dbraw/zinc/86/89/55/710868955.db2.gz ZMOLRAVCGIQUEQ-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC ZINC001049262500 710898009 /nfs/dbraw/zinc/89/80/09/710898009.db2.gz DJDWZGRTINUHDQ-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001049270787 710898495 /nfs/dbraw/zinc/89/84/95/710898495.db2.gz FBQAANADRKOGMC-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001049270784 710899437 /nfs/dbraw/zinc/89/94/37/710899437.db2.gz FBQAANADRKOGMC-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C=C2CCC2)C[C@@H]1C ZINC001054549819 710938349 /nfs/dbraw/zinc/93/83/49/710938349.db2.gz CCRPZSAJBXQWGC-JSGCOSHPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC)C[C@@H]1C ZINC001055026838 710944496 /nfs/dbraw/zinc/94/44/96/710944496.db2.gz QMOFAZNGPSSENC-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000382554307 710972620 /nfs/dbraw/zinc/97/26/20/710972620.db2.gz GEZLXGMPUABBQV-QWHCGFSZSA-N 1 0 236.359 2.073 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000384163328 710990354 /nfs/dbraw/zinc/99/03/54/710990354.db2.gz KPKLMQANFSJVOA-HNNXBMFYSA-N 1 0 245.322 2.365 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1ccccc1OC ZINC000384228045 710991346 /nfs/dbraw/zinc/99/13/46/710991346.db2.gz VXHXKSIUHVWKEU-OAHLLOKOSA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1ccccn1 ZINC000384199654 710991534 /nfs/dbraw/zinc/99/15/34/710991534.db2.gz ZYMAVKUTGNZVLI-ZDUSSCGKSA-N 1 0 202.301 2.016 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000384179263 710991599 /nfs/dbraw/zinc/99/15/99/710991599.db2.gz PIGPJFYEJDEQBE-CQSZACIVSA-N 1 0 249.310 2.266 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1ccccn1 ZINC000384199653 710992075 /nfs/dbraw/zinc/99/20/75/710992075.db2.gz ZYMAVKUTGNZVLI-CYBMUJFWSA-N 1 0 202.301 2.016 20 30 BEEDRO COc1ccccc1C[N@H+](C)CCO[C@@H](C)C#N ZINC000385571061 711014785 /nfs/dbraw/zinc/01/47/85/711014785.db2.gz XNSLBYXYQHRXQO-LBPRGKRZSA-N 1 0 248.326 2.056 20 30 BEEDRO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000386966607 711039136 /nfs/dbraw/zinc/03/91/36/711039136.db2.gz FOLZXOHVLFMONQ-SDDRHHMPSA-N 1 0 248.326 2.009 20 30 BEEDRO C#CCCC[N@@H+]1CCOCC12CCCC2 ZINC000388551242 711062422 /nfs/dbraw/zinc/06/24/22/711062422.db2.gz PQKGHJGVABFBNJ-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C[C@@H](CSC(C)(C)C)[NH2+]CCC#N ZINC000388604021 711063550 /nfs/dbraw/zinc/06/35/50/711063550.db2.gz UHGKOTADSUNIMG-VIFPVBQESA-N 1 0 200.351 2.410 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)CC1CCC1 ZINC000389396579 711078590 /nfs/dbraw/zinc/07/85/90/711078590.db2.gz ZHKCKAPPXGMGNQ-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)C[N@H+](CCO[C@@H](C)C#N)C(C)C ZINC000389400866 711078908 /nfs/dbraw/zinc/07/89/08/711078908.db2.gz HHBNKRAWARAPHX-LBPRGKRZSA-N 1 0 212.337 2.281 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCCC1 ZINC000389402389 711078998 /nfs/dbraw/zinc/07/89/98/711078998.db2.gz IOJYLGJFBHWYRH-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)CCC)[C@@H]1CCCO1 ZINC000389895677 711095785 /nfs/dbraw/zinc/09/57/85/711095785.db2.gz YRPXBRYQGYTVBH-AGIUHOORSA-N 1 0 209.333 2.336 20 30 BEEDRO CC(=NNCCC(C)(C)C)c1csc(N)n1 ZINC000390340818 711112647 /nfs/dbraw/zinc/11/26/47/711112647.db2.gz MUAZAOLRQIETRJ-UHFFFAOYSA-N 1 0 240.376 2.305 20 30 BEEDRO C[C@H](CC#N)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000390316322 711113257 /nfs/dbraw/zinc/11/32/57/711113257.db2.gz HJAJWQXHRZVTQA-DGCLKSJQSA-N 1 0 218.300 2.002 20 30 BEEDRO C[C@H](C#N)OCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000390631873 711129420 /nfs/dbraw/zinc/12/94/20/711129420.db2.gz LFQYWGVNCSIDDO-IJLUTSLNSA-N 1 0 224.348 2.329 20 30 BEEDRO N#C[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000390759746 711133505 /nfs/dbraw/zinc/13/35/05/711133505.db2.gz LLBBYEBDCJWMIT-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000390798069 711135155 /nfs/dbraw/zinc/13/51/55/711135155.db2.gz UXBDEIYFACLSCS-GFCCVEGCSA-N 1 0 249.420 2.370 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1CC ZINC000392779806 711152113 /nfs/dbraw/zinc/15/21/13/711152113.db2.gz YQOJBJXDEGTKHN-LSDHHAIUSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CC1(Cl)Cl ZINC000393356897 711157390 /nfs/dbraw/zinc/15/73/90/711157390.db2.gz XRJVDXXKMUDJIZ-MRVPVSSYSA-N 1 0 206.116 2.135 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCCC1(C)C ZINC000393957134 711180196 /nfs/dbraw/zinc/18/01/96/711180196.db2.gz KXIBSCKFFXVBDY-AWEZNQCLSA-N 1 0 236.403 2.500 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc2c1NCCC2 ZINC000394116664 711185202 /nfs/dbraw/zinc/18/52/02/711185202.db2.gz JTLHXQSQSVANMT-UHFFFAOYSA-N 1 0 246.354 2.337 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000395122985 711202224 /nfs/dbraw/zinc/20/22/24/711202224.db2.gz AASVVGWWBATZQA-KBPBESRZSA-N 1 0 235.302 2.251 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000395166636 711203661 /nfs/dbraw/zinc/20/36/61/711203661.db2.gz XCTNUIMPMBCGAL-DGCLKSJQSA-N 1 0 209.333 2.336 20 30 BEEDRO C[C@H](CCCO)C[NH2+]CC#Cc1ccccc1 ZINC000395212979 711206106 /nfs/dbraw/zinc/20/61/06/711206106.db2.gz JUISSCMALCGSRU-CQSZACIVSA-N 1 0 231.339 2.036 20 30 BEEDRO CCNC(NCc1cc(C)cs1)=[NH+]CC ZINC000395610166 711213567 /nfs/dbraw/zinc/21/35/67/711213567.db2.gz YIQKPIULTUFBST-UHFFFAOYSA-N 1 0 225.361 2.132 20 30 BEEDRO C#CC[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000397988294 711399275 /nfs/dbraw/zinc/39/92/75/711399275.db2.gz HQKDZNQHBVSJMU-INIZCTEOSA-N 1 0 244.382 2.366 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C1CCS(=O)CC1 ZINC000398051689 711400435 /nfs/dbraw/zinc/40/04/35/711400435.db2.gz ASNFTYWMPZKSDD-BZUNDVKYSA-N 1 0 229.389 2.232 20 30 BEEDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399136003 711421751 /nfs/dbraw/zinc/42/17/51/711421751.db2.gz QQXDYJBQLRAYQR-GJZGRUSLSA-N 1 0 244.338 2.410 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CO[C@H](C)C2)CC1 ZINC000724587148 710742738 /nfs/dbraw/zinc/74/27/38/710742738.db2.gz ZAKDCFAXJVJOLU-YPMHNXCESA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)N[C@H](C)CCC ZINC000384208067 710832466 /nfs/dbraw/zinc/83/24/66/710832466.db2.gz NZCOQJUOBZEDNT-YRGRVCCFSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CC1CCCC1 ZINC000384210797 710833836 /nfs/dbraw/zinc/83/38/36/710833836.db2.gz OSWSQLVEEGFFSW-ZIAGYGMSSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001045148937 710835722 /nfs/dbraw/zinc/83/57/22/710835722.db2.gz KGFITJHYJFUYLX-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccoc2)C1 ZINC001046147242 710852151 /nfs/dbraw/zinc/85/21/51/710852151.db2.gz SJWJOXWDYNWNFC-AWEZNQCLSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C=C(C)C ZINC001049293665 710898344 /nfs/dbraw/zinc/89/83/44/710898344.db2.gz VPNXYMKDWGCXSJ-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)/C(C)=C/C ZINC001049409001 710901104 /nfs/dbraw/zinc/90/11/04/710901104.db2.gz YCLKKVNSSHBJFW-KDHQJITESA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001054966091 710943799 /nfs/dbraw/zinc/94/37/99/710943799.db2.gz HBIVXDAEAAMCDI-VXGBXAGGSA-N 1 0 238.375 2.044 20 30 BEEDRO C=CC(C)(C)C[NH2+]CC1(O)CCCCC1 ZINC000385073767 711004517 /nfs/dbraw/zinc/00/45/17/711004517.db2.gz XBMBUHZFZMRLCR-UHFFFAOYSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CC1CCC(C#N)CC1 ZINC000389973067 711102126 /nfs/dbraw/zinc/10/21/26/711102126.db2.gz DAIJJMOXLURPRD-UNXYVOJBSA-N 1 0 205.305 2.208 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000396690183 711364498 /nfs/dbraw/zinc/36/44/98/711364498.db2.gz PAERPVJIQRLZFK-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO CCNC(NC[C@H](C)CC(F)(F)F)=[NH+]CC ZINC000396944989 711372473 /nfs/dbraw/zinc/37/24/73/711372473.db2.gz WWRDHMNZAFHXPA-MRVPVSSYSA-N 1 0 239.285 2.150 20 30 BEEDRO C=CCC[N@H+]1CCC2(CN(C(=O)C=C(C)C)C2)C1 ZINC001072434223 711373522 /nfs/dbraw/zinc/37/35/22/711373522.db2.gz XELSYGSMLQSUPT-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)CCC(C)(C)C ZINC000399793357 711435482 /nfs/dbraw/zinc/43/54/82/711435482.db2.gz VFWYBOUAPWQAGB-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)/C=C(/C)C2CC2)[C@H]1C ZINC001074546192 711442735 /nfs/dbraw/zinc/44/27/35/711442735.db2.gz OPZIFHZHLIMGCB-XDYJFMQNSA-N 1 0 248.370 2.108 20 30 BEEDRO N#CCOc1ccc(C[NH2+]CC2CC2)cc1 ZINC000035258319 711478660 /nfs/dbraw/zinc/47/86/60/711478660.db2.gz RHAWMZLJLIVSPL-UHFFFAOYSA-N 1 0 216.284 2.089 20 30 BEEDRO C=C(Cl)C[NH+]1CCC(C)(OC)CC1 ZINC000307579878 711507001 /nfs/dbraw/zinc/50/70/01/711507001.db2.gz QIVOXKULPDXXKT-UHFFFAOYSA-N 1 0 203.713 2.240 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723609899 711525263 /nfs/dbraw/zinc/52/52/63/711525263.db2.gz CDFUDCYHBKYSPR-RWMBFGLXSA-N 1 0 234.343 2.085 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723610527 711525802 /nfs/dbraw/zinc/52/58/02/711525802.db2.gz JDEBDWWJEVMUOH-MGPQQGTHSA-N 1 0 248.370 2.475 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723644919 711529606 /nfs/dbraw/zinc/52/96/06/711529606.db2.gz STGIWHDUCIUFBW-YNEHKIRRSA-N 1 0 236.359 2.331 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723966466 711548029 /nfs/dbraw/zinc/54/80/29/711548029.db2.gz UKCJUUCWQWOMJY-KBPBESRZSA-N 1 0 221.344 2.195 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723966468 711548362 /nfs/dbraw/zinc/54/83/62/711548362.db2.gz UKCJUUCWQWOMJY-KGLIPLIRSA-N 1 0 221.344 2.195 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cncc(C#N)c2)C[C@H]1C ZINC000721498730 711563602 /nfs/dbraw/zinc/56/36/02/711563602.db2.gz CGUJRQHUCYKAOB-IJLUTSLNSA-N 1 0 229.327 2.430 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cccc(C#N)c1F ZINC000724158393 711565508 /nfs/dbraw/zinc/56/55/08/711565508.db2.gz OCMGWPFYDODAMD-OLZOCXBDSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000724156023 711565525 /nfs/dbraw/zinc/56/55/25/711565525.db2.gz IRFFGGUVOLQEDR-KGLIPLIRSA-N 1 0 248.301 2.307 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CCCN[C@@H]2C)CC1 ZINC000724444669 711580902 /nfs/dbraw/zinc/58/09/02/711580902.db2.gz HWBNRXUBQDJDFC-TZMCWYRMSA-N 1 0 222.376 2.463 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cnc[nH]2)CC1 ZINC000724456708 711581295 /nfs/dbraw/zinc/58/12/95/711581295.db2.gz HMOALZHKFDTZLT-UHFFFAOYSA-N 1 0 205.305 2.246 20 30 BEEDRO C=CC[C@H]1CCN1[C@H](C)c1nc(CC)no1 ZINC000934469384 711587477 /nfs/dbraw/zinc/58/74/77/711587477.db2.gz BOEKZGCPNSDCSK-ZJUUUORDSA-N 1 0 221.304 2.343 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000724549719 711589471 /nfs/dbraw/zinc/58/94/71/711589471.db2.gz PTPAZTCVOSJNCD-JTQLQIEISA-N 1 0 237.265 2.246 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CCC2)CO1 ZINC000934518523 711591033 /nfs/dbraw/zinc/59/10/33/711591033.db2.gz JMPMAMUHQHLJSL-KGLIPLIRSA-N 1 0 233.355 2.433 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC(C)(C)C1 ZINC000308836180 711591608 /nfs/dbraw/zinc/59/16/08/711591608.db2.gz WMSIHOPWEPMQTA-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511994 711619496 /nfs/dbraw/zinc/61/94/96/711619496.db2.gz IUZQZGUDSRCARP-QNWHQSFQSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721549183 711622529 /nfs/dbraw/zinc/62/25/29/711622529.db2.gz JDNGVKFQGOJLMY-YNEHKIRRSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721549181 711622711 /nfs/dbraw/zinc/62/27/11/711622711.db2.gz JDNGVKFQGOJLMY-XQQFMLRXSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000725076480 711649358 /nfs/dbraw/zinc/64/93/58/711649358.db2.gz DIKYZUAGEPYZBD-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000386732420 711649936 /nfs/dbraw/zinc/64/99/36/711649936.db2.gz VRXNWSZNLVVLAX-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO CC[C@H]([NH2+]Cc1cncc(C#N)c1)C1CC1 ZINC000721580221 711651632 /nfs/dbraw/zinc/65/16/32/711651632.db2.gz MUBWQUFKWCILDA-ZDUSSCGKSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721614309 711670825 /nfs/dbraw/zinc/67/08/25/711670825.db2.gz JDIKQDCFXJMVOV-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO CSC[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721624721 711671607 /nfs/dbraw/zinc/67/16/07/711671607.db2.gz RELKSSSFEFYNRN-CYBMUJFWSA-N 1 0 247.367 2.281 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000380323421 711675457 /nfs/dbraw/zinc/67/54/57/711675457.db2.gz LFIJZQPGRHWDOY-NEPJUHHUSA-N 1 0 243.441 2.473 20 30 BEEDRO CCCCCCC[NH2+]C1CCN(C(N)=O)CC1 ZINC000393310781 711676055 /nfs/dbraw/zinc/67/60/55/711676055.db2.gz ISTUEJKIQLCYKH-UHFFFAOYSA-N 1 0 241.379 2.090 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](NC(=O)C2=CCCC2)C(C)(C)C1 ZINC000973032485 711678274 /nfs/dbraw/zinc/67/82/74/711678274.db2.gz ZQZLQBWSESUWEI-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000395179204 711692970 /nfs/dbraw/zinc/69/29/70/711692970.db2.gz QAPGXLNKGLPVAZ-CYBMUJFWSA-N 1 0 232.283 2.486 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000335008302 711719272 /nfs/dbraw/zinc/71/92/72/711719272.db2.gz SBBXMXCIOPDBOT-AAEUAGOBSA-N 1 0 216.328 2.493 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001027297305 711726304 /nfs/dbraw/zinc/72/63/04/711726304.db2.gz CFIUEOYQNQPBIM-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1=CCCC1 ZINC001027826076 711736682 /nfs/dbraw/zinc/73/66/82/711736682.db2.gz LPQOVTIRXVMARV-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO CCCCCCCCCNC(=O)NC[C@@H](C)[NH3+] ZINC000841660744 711738381 /nfs/dbraw/zinc/73/83/81/711738381.db2.gz UKBVBBWRGGIIDT-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCO[C@@H]1CCCCO1 ZINC000894795629 711772289 /nfs/dbraw/zinc/77/22/89/711772289.db2.gz BHZRKMXJPLEBMN-CHWSQXEVSA-N 1 0 240.347 2.059 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCO[C@H]1CCCCO1 ZINC000894795632 711772329 /nfs/dbraw/zinc/77/23/29/711772329.db2.gz BHZRKMXJPLEBMN-STQMWFEESA-N 1 0 240.347 2.059 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2[nH]nc(C)c2C)C1 ZINC000895079234 711776164 /nfs/dbraw/zinc/77/61/64/711776164.db2.gz WDHBGHXIYDQWMO-CYBMUJFWSA-N 1 0 231.343 2.262 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCc2ncncc2C1 ZINC000895723479 711781177 /nfs/dbraw/zinc/78/11/77/711781177.db2.gz HNDQKLONIGGAJQ-UHFFFAOYSA-N 1 0 243.354 2.418 20 30 BEEDRO C#CC[N@H+](Cc1cccc2nccn21)C(C)C ZINC000897170566 711784704 /nfs/dbraw/zinc/78/47/04/711784704.db2.gz BPAJCAXLYQKTOG-UHFFFAOYSA-N 1 0 227.311 2.178 20 30 BEEDRO C#CCCC[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000925160213 711786118 /nfs/dbraw/zinc/78/61/18/711786118.db2.gz KQRGZWDTFPFCGL-UHFFFAOYSA-N 1 0 221.344 2.337 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000385441957 711792738 /nfs/dbraw/zinc/79/27/38/711792738.db2.gz UBNLDZYUJJDWMH-GJZGRUSLSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](C)CC1 ZINC000379814480 711812098 /nfs/dbraw/zinc/81/20/98/711812098.db2.gz BMHBXXSBZCTASI-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1cccc(C)c1CNC(=[NH2+])NC(C)C ZINC000153336275 711865193 /nfs/dbraw/zinc/86/51/93/711865193.db2.gz HOMUFJQRKPNFDS-UHFFFAOYSA-N 1 0 219.332 2.116 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000703748986 711877070 /nfs/dbraw/zinc/87/70/70/711877070.db2.gz UBFHLLXEVKLZPH-UONOGXRCSA-N 1 0 242.407 2.313 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000320696016 711938086 /nfs/dbraw/zinc/93/80/86/711938086.db2.gz XIEKAELYZSOWSU-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001044388225 711971597 /nfs/dbraw/zinc/97/15/97/711971597.db2.gz FJHZRYKLENGDBH-WDEREUQCSA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC)[C@H](C)C1 ZINC001044423054 711975009 /nfs/dbraw/zinc/97/50/09/711975009.db2.gz VFQSEXBDPSJABR-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001033390684 711989165 /nfs/dbraw/zinc/98/91/65/711989165.db2.gz HKKAIZACFQJENX-CYBMUJFWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000700366442 711990647 /nfs/dbraw/zinc/99/06/47/711990647.db2.gz BIIYXJQRFLELCP-MWLCHTKSSA-N 1 0 217.740 2.222 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000700366440 711990727 /nfs/dbraw/zinc/99/07/27/711990727.db2.gz BIIYXJQRFLELCP-GXSJLCMTSA-N 1 0 217.740 2.222 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2ccoc2)C1 ZINC001033757133 712018720 /nfs/dbraw/zinc/01/87/20/712018720.db2.gz RVTTUJATUWESMU-ZDUSSCGKSA-N 1 0 248.326 2.002 20 30 BEEDRO CC(C)CC1([NH2+]CCO[C@@H](C)C#N)CC1 ZINC000701500238 712024929 /nfs/dbraw/zinc/02/49/29/712024929.db2.gz WEDFFAIWAIJQLH-NSHDSACASA-N 1 0 210.321 2.083 20 30 BEEDRO CCO[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000701708663 712026559 /nfs/dbraw/zinc/02/65/59/712026559.db2.gz HWZGYKVYHDHHLS-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000701708207 712026834 /nfs/dbraw/zinc/02/68/34/712026834.db2.gz DWVRXLBCCAPHFK-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1C#N ZINC000701879326 712030863 /nfs/dbraw/zinc/03/08/63/712030863.db2.gz DVFWDHIVCBQFEP-CYBMUJFWSA-N 1 0 244.338 2.383 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1C#N ZINC000701859064 712031244 /nfs/dbraw/zinc/03/12/44/712031244.db2.gz UHMYKWFGENZCHV-BXUZGUMPSA-N 1 0 230.311 2.134 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1C#N ZINC000701861781 712031252 /nfs/dbraw/zinc/03/12/52/712031252.db2.gz RTLQSNCNRSPFSV-SMDDNHRTSA-N 1 0 230.311 2.134 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CCCCC[NH3+] ZINC000701848303 712031383 /nfs/dbraw/zinc/03/13/83/712031383.db2.gz ARDKFMOOQNFFPP-UHFFFAOYSA-N 1 0 226.364 2.224 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccco2)C1 ZINC001034078901 712039455 /nfs/dbraw/zinc/03/94/55/712039455.db2.gz SBSURKAAJNWESD-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001034158137 712043984 /nfs/dbraw/zinc/04/39/84/712043984.db2.gz FRGHYYXHTPQEAR-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(COC)CCC1)C(C)(C)C ZINC000702272733 712044188 /nfs/dbraw/zinc/04/41/88/712044188.db2.gz NHBJQMAIRIJEFU-GFCCVEGCSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1nnc(CC)s1 ZINC000702712413 712059757 /nfs/dbraw/zinc/05/97/57/712059757.db2.gz ZFTIMOSNSIHVCD-UHFFFAOYSA-N 1 0 225.361 2.402 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001034498970 712065943 /nfs/dbraw/zinc/06/59/43/712065943.db2.gz RFPUILRYKMHFOE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000703172295 712067599 /nfs/dbraw/zinc/06/75/99/712067599.db2.gz GRUPRBUYMWJFRE-TUAOUCFPSA-N 1 0 209.333 2.044 20 30 BEEDRO COC1CC(C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000703398181 712075037 /nfs/dbraw/zinc/07/50/37/712075037.db2.gz NJANZEWFOMTQHD-UHFFFAOYSA-N 1 0 244.338 2.415 20 30 BEEDRO CC1(O)CCC([NH2+][C@@H]2CCCC[C@@H]2C#N)CC1 ZINC000703551103 712078558 /nfs/dbraw/zinc/07/85/58/712078558.db2.gz WCTBZQPLCVKPDZ-NELGMTEASA-N 1 0 236.359 2.352 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000703636847 712082233 /nfs/dbraw/zinc/08/22/33/712082233.db2.gz PEPBYMNCKSQROZ-CYBMUJFWSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C/C=C(\C)C(=O)OC)C1 ZINC000703689914 712083723 /nfs/dbraw/zinc/08/37/23/712083723.db2.gz JOVILJHAHMZTHH-BCMYLCSRSA-N 1 0 223.316 2.004 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)OCCCC)C1 ZINC000703683338 712083852 /nfs/dbraw/zinc/08/38/52/712083852.db2.gz BWTXDSSSNGDJHG-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000703708499 712083963 /nfs/dbraw/zinc/08/39/63/712083963.db2.gz KBFKNZKLTMEATH-NEPJUHHUSA-N 1 0 226.364 2.200 20 30 BEEDRO C=CC[C@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000703699793 712084426 /nfs/dbraw/zinc/08/44/26/712084426.db2.gz YGVJFKSSIJSHPK-LBPRGKRZSA-N 1 0 232.327 2.366 20 30 BEEDRO CCCCCCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000703755349 712084985 /nfs/dbraw/zinc/08/49/85/712084985.db2.gz BUJXDBHTTNYLRZ-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000703749362 712085442 /nfs/dbraw/zinc/08/54/42/712085442.db2.gz WPFDDPJCDMYTQM-AWEZNQCLSA-N 1 0 242.407 2.267 20 30 BEEDRO CCCCCCC[NH2+]Cc1ncnn1CC ZINC000703760612 712086576 /nfs/dbraw/zinc/08/65/76/712086576.db2.gz MUNPHHFAKPWQLM-UHFFFAOYSA-N 1 0 224.352 2.358 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000703762554 712086619 /nfs/dbraw/zinc/08/66/19/712086619.db2.gz VLRRSWVLHPEYGK-STQMWFEESA-N 1 0 240.391 2.448 20 30 BEEDRO CCCCCCCNC(=O)c1ccc(C[NH3+])o1 ZINC000703760107 712086665 /nfs/dbraw/zinc/08/66/65/712086665.db2.gz KVYGGWJWDBYKTC-UHFFFAOYSA-N 1 0 238.331 2.439 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000703762549 712086937 /nfs/dbraw/zinc/08/69/37/712086937.db2.gz VLRRSWVLHPEYGK-CHWSQXEVSA-N 1 0 240.391 2.448 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(Cl)cn1 ZINC000703852517 712090394 /nfs/dbraw/zinc/09/03/94/712090394.db2.gz VZQLUKYLQULHNK-GFCCVEGCSA-N 1 0 240.734 2.152 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000705019243 712121811 /nfs/dbraw/zinc/12/18/11/712121811.db2.gz JKRDDXWUNBUAAO-CMPLNLGQSA-N 1 0 231.286 2.144 20 30 BEEDRO C=CCCC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000705675923 712135004 /nfs/dbraw/zinc/13/50/04/712135004.db2.gz WFTRXOGSUJGZQH-QWHCGFSZSA-N 1 0 230.311 2.406 20 30 BEEDRO C=CC[C@@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000705862674 712137829 /nfs/dbraw/zinc/13/78/29/712137829.db2.gz QRWZYAUMYSCNBY-GHMZBOCLSA-N 1 0 232.318 2.257 20 30 BEEDRO C=CC[NH+]1CC2(C1)CCN(C(=O)C=C(C)C)CC2 ZINC001035645265 712139641 /nfs/dbraw/zinc/13/96/41/712139641.db2.gz ZBLITSBDFUCESZ-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO N#Cc1ccccc1OCC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000706903690 712160450 /nfs/dbraw/zinc/16/04/50/712160450.db2.gz XEDGHKLONMSUFI-WCQYABFASA-N 1 0 228.295 2.031 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000706969434 712160784 /nfs/dbraw/zinc/16/07/84/712160784.db2.gz WOZYWQHZHRKZSV-YPMHNXCESA-N 1 0 228.295 2.161 20 30 BEEDRO CCCCCCCNC(=O)[C@H](C)[NH2+]CC ZINC000707983714 712174714 /nfs/dbraw/zinc/17/47/14/712174714.db2.gz DBMPDEOAKBWCPC-NSHDSACASA-N 1 0 214.353 2.071 20 30 BEEDRO C#CC1(O)CC[NH+](CCC(C)(C)CC)CC1 ZINC000708086809 712181330 /nfs/dbraw/zinc/18/13/30/712181330.db2.gz FICOBBGDVQFOSC-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CC1(O)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000708135344 712182802 /nfs/dbraw/zinc/18/28/02/712182802.db2.gz ZDHGFGMDVHEOMS-CYBMUJFWSA-N 1 0 229.323 2.208 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000708157666 712183400 /nfs/dbraw/zinc/18/34/00/712183400.db2.gz CVRCAMQYVAUGSP-CQSZACIVSA-N 1 0 243.350 2.250 20 30 BEEDRO CC1(C)CO[C@@H](C[NH+]2CCC(C#N)CC2)C1 ZINC000708464943 712194974 /nfs/dbraw/zinc/19/49/74/712194974.db2.gz MJWJDBRBPRSORS-GFCCVEGCSA-N 1 0 222.332 2.037 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1C#N ZINC000708634614 712195697 /nfs/dbraw/zinc/19/56/97/712195697.db2.gz WTLYGRHETVJIQO-HUUCEWRRSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CCC[N@H+]1CC[C@](C)(C(F)(F)F)C1 ZINC000708927310 712203109 /nfs/dbraw/zinc/20/31/09/712203109.db2.gz NEGAPBDYYDDAAY-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO CCCCCCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708565459 712213575 /nfs/dbraw/zinc/21/35/75/712213575.db2.gz SDHFSQCSEJSDBL-CQSZACIVSA-N 1 0 242.407 2.003 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](CCCC)C(=O)OC)C1 ZINC000709555232 712224516 /nfs/dbraw/zinc/22/45/16/712224516.db2.gz VTTUKUKUEKMITI-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO COCCCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709977020 712236535 /nfs/dbraw/zinc/23/65/35/712236535.db2.gz OZOLCRSEQYNAEO-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H](CC[S@](C)=O)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709975656 712236613 /nfs/dbraw/zinc/23/66/13/712236613.db2.gz KVTGEHOEMRKJSN-UVWXRNBGSA-N 1 0 244.404 2.061 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1=CCOCC1 ZINC000709979583 712236615 /nfs/dbraw/zinc/23/66/15/712236615.db2.gz HJJPOVHEPSGTPQ-LLVKDONJSA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@H](O)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709976023 712236747 /nfs/dbraw/zinc/23/67/47/712236747.db2.gz MTBDJKNIXRPKQK-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709986964 712237144 /nfs/dbraw/zinc/23/71/44/712237144.db2.gz RFXIMXNHGOUXSE-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCCO1 ZINC000710011516 712239885 /nfs/dbraw/zinc/23/98/85/712239885.db2.gz VXAUADRJQGAGSU-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000710198588 712248153 /nfs/dbraw/zinc/24/81/53/712248153.db2.gz FFDXKYFQRZLNNF-NSHDSACASA-N 1 0 226.364 2.071 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@](O)(CC)C1 ZINC000710665806 712265519 /nfs/dbraw/zinc/26/55/19/712265519.db2.gz VDPBWOIFNVNFBS-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCC1(OC)OC ZINC000710959872 712268232 /nfs/dbraw/zinc/26/82/32/712268232.db2.gz MDQMYKFFLHABSU-NSHDSACASA-N 1 0 245.388 2.037 20 30 BEEDRO N#Cc1ccc(OCC[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000711434400 712300094 /nfs/dbraw/zinc/30/00/94/712300094.db2.gz FPWGBWVPNSLVFP-ZDUSSCGKSA-N 1 0 248.301 2.228 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000711428849 712300102 /nfs/dbraw/zinc/30/01/02/712300102.db2.gz ATVLXXYVHXIQFP-ZDUSSCGKSA-N 1 0 218.275 2.350 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C=CCC2)o1 ZINC000711656365 712315489 /nfs/dbraw/zinc/31/54/89/712315489.db2.gz SELMEKBIGHRUKV-SNVBAGLBSA-N 1 0 202.257 2.207 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711896191 712337961 /nfs/dbraw/zinc/33/79/61/712337961.db2.gz OVDYDOZYOWSIQI-QWHCGFSZSA-N 1 0 236.359 2.331 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000378674704 712356528 /nfs/dbraw/zinc/35/65/28/712356528.db2.gz NSHODXUVPYCXPG-AXFHLTTASA-N 1 0 210.321 2.082 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000383015422 712367004 /nfs/dbraw/zinc/36/70/04/712367004.db2.gz CCULCHZDTSTCSF-QLFBSQMISA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000383015432 712367152 /nfs/dbraw/zinc/36/71/52/712367152.db2.gz CCULCHZDTSTCSF-SOUVJXGZSA-N 1 0 236.403 2.356 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000379182792 712371169 /nfs/dbraw/zinc/37/11/69/712371169.db2.gz PYROGWNUSVCRBT-NXEZZACHSA-N 1 0 203.713 2.286 20 30 BEEDRO C=C(Cl)C[NH2+]C1CC(OC(C)C)C1 ZINC000379419640 712384354 /nfs/dbraw/zinc/38/43/54/712384354.db2.gz YQJMRHUGCVEUQA-UHFFFAOYSA-N 1 0 203.713 2.285 20 30 BEEDRO C#CCCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000381858360 712396523 /nfs/dbraw/zinc/39/65/23/712396523.db2.gz VNIZLDNBGGJURP-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000390658414 712423088 /nfs/dbraw/zinc/42/30/88/712423088.db2.gz RNEMUPSHFXMPCY-CYBMUJFWSA-N 1 0 217.312 2.295 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000390658415 712423130 /nfs/dbraw/zinc/42/31/30/712423130.db2.gz RNEMUPSHFXMPCY-ZDUSSCGKSA-N 1 0 217.312 2.295 20 30 BEEDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C#N)cc1C ZINC000712579061 712432684 /nfs/dbraw/zinc/43/26/84/712432684.db2.gz KQRRQCUGASFJCC-CYBMUJFWSA-N 1 0 229.327 2.373 20 30 BEEDRO CC[N@@H+]1CC[C@@H]1CNc1nc(C)cc(C)c1C#N ZINC000712607658 712437568 /nfs/dbraw/zinc/43/75/68/712437568.db2.gz PLJVBPXXZAWQEG-GFCCVEGCSA-N 1 0 244.342 2.076 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000712612751 712438193 /nfs/dbraw/zinc/43/81/93/712438193.db2.gz CEQGUFPBTWNWOS-SWLSCSKDSA-N 1 0 243.354 2.303 20 30 BEEDRO CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000712619004 712438870 /nfs/dbraw/zinc/43/88/70/712438870.db2.gz XLBVFLXJNWXAOL-DOMZBBRYSA-N 1 0 243.354 2.303 20 30 BEEDRO C=C(Cl)COc1ccc2c(c1)C[NH2+]C2 ZINC000713045115 712451629 /nfs/dbraw/zinc/45/16/29/712451629.db2.gz STOHQRGFUQEUME-UHFFFAOYSA-N 1 0 209.676 2.421 20 30 BEEDRO C#CCCC[NH2+]C1(CO)CCCCCCC1 ZINC000713451256 712460680 /nfs/dbraw/zinc/46/06/80/712460680.db2.gz GOBVDZNFCPUQAX-UHFFFAOYSA-N 1 0 223.360 2.465 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000714724593 712496745 /nfs/dbraw/zinc/49/67/45/712496745.db2.gz QBCKJYCKDSFODM-HDJSIYSDSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715092241 712507914 /nfs/dbraw/zinc/50/79/14/712507914.db2.gz QSABSMYIPLEWII-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715415280 712517972 /nfs/dbraw/zinc/51/79/72/712517972.db2.gz PWPMYQTYTBWMJD-UONOGXRCSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000715851009 712536611 /nfs/dbraw/zinc/53/66/11/712536611.db2.gz CHGXFFSOLHFROQ-GHMZBOCLSA-N 1 0 222.336 2.303 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC000715862251 712537126 /nfs/dbraw/zinc/53/71/26/712537126.db2.gz PLXXJYZSBNATLX-NSHDSACASA-N 1 0 222.336 2.305 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716551589 712563214 /nfs/dbraw/zinc/56/32/14/712563214.db2.gz RJDRPXKZECILSD-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO COc1ccc(C[N@H+](C)CCCF)cc1C#N ZINC000716715933 712570720 /nfs/dbraw/zinc/57/07/20/712570720.db2.gz BHPUMLPJVHUUGS-UHFFFAOYSA-N 1 0 236.290 2.358 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000716727466 712571072 /nfs/dbraw/zinc/57/10/72/712571072.db2.gz LGQPGPSMSACPQN-UHFFFAOYSA-N 1 0 229.323 2.037 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000716830413 712577116 /nfs/dbraw/zinc/57/71/16/712577116.db2.gz WBPUNSJAUVAJHE-TUAOUCFPSA-N 1 0 209.333 2.049 20 30 BEEDRO CCC[C@@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000716883862 712580167 /nfs/dbraw/zinc/58/01/67/712580167.db2.gz GKNHVZODGSYEGT-NEPJUHHUSA-N 1 0 226.364 2.455 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000828021131 712593889 /nfs/dbraw/zinc/59/38/89/712593889.db2.gz QUTTWKFRMJDTFO-GJZGRUSLSA-N 1 0 231.339 2.240 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CCC(C)CC1 ZINC000716928321 712596410 /nfs/dbraw/zinc/59/64/10/712596410.db2.gz HTYZKYPDRFMRGC-BPCQOVAHSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CCC(C)C ZINC000716928468 712596690 /nfs/dbraw/zinc/59/66/90/712596690.db2.gz JERSWESCKIKKBZ-QWHCGFSZSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(C)c1C ZINC000716931929 712597040 /nfs/dbraw/zinc/59/70/40/712597040.db2.gz BWMWDHOPPMULCM-HNNXBMFYSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(CC)s1 ZINC000716934944 712597330 /nfs/dbraw/zinc/59/73/30/712597330.db2.gz LXXRXJQLYKCTKP-LLVKDONJSA-N 1 0 237.368 2.438 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(Cl)cc1 ZINC000716938101 712597742 /nfs/dbraw/zinc/59/77/42/712597742.db2.gz WFBRUSQBZVNKOR-CYBMUJFWSA-N 1 0 237.730 2.468 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(CC)c1O ZINC000716959302 712600562 /nfs/dbraw/zinc/60/05/62/712600562.db2.gz XJNCNTOEOHMCNI-CQSZACIVSA-N 1 0 247.338 2.083 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000848923695 712610337 /nfs/dbraw/zinc/61/03/37/712610337.db2.gz IOGISDSNHMCXNZ-GFCCVEGCSA-N 1 0 233.311 2.271 20 30 BEEDRO C#CCCCCCC[NH2+]CCC[C@@H](C)O ZINC000877485046 712631146 /nfs/dbraw/zinc/63/11/46/712631146.db2.gz WKUPZCVPGLSFEU-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccc(C)nc2)CC1 ZINC000717432003 712657859 /nfs/dbraw/zinc/65/78/59/712657859.db2.gz VJKLAEDNWZCJBK-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C#CCCCCC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000717456767 712659243 /nfs/dbraw/zinc/65/92/43/712659243.db2.gz KADDBGHBXLWBRW-LSDHHAIUSA-N 1 0 234.387 2.349 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H]1CCCC12CCC2 ZINC000717710575 712666179 /nfs/dbraw/zinc/66/61/79/712666179.db2.gz RFMHPXGALJJFGU-STQMWFEESA-N 1 0 221.344 2.073 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)cc(C)cc1C ZINC000717738910 712668218 /nfs/dbraw/zinc/66/82/18/712668218.db2.gz GGEQDFVXNLXEKW-AWEZNQCLSA-N 1 0 231.339 2.086 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)Cc1ccsc1 ZINC000717739037 712668229 /nfs/dbraw/zinc/66/82/29/712668229.db2.gz JYSOKTXISSMEOG-DGCLKSJQSA-N 1 0 237.368 2.043 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cc1cccs1 ZINC000717741801 712668461 /nfs/dbraw/zinc/66/84/61/712668461.db2.gz ZFPUUMUTZSKDTK-NWDGAFQWSA-N 1 0 237.368 2.043 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000717747577 712669076 /nfs/dbraw/zinc/66/90/76/712669076.db2.gz DNZYEDCKENSPQZ-RBSFLKMASA-N 1 0 235.371 2.319 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)oc2ccccc21 ZINC000717785358 712676273 /nfs/dbraw/zinc/67/62/73/712676273.db2.gz CWWJZBVQYFTRIE-LBPRGKRZSA-N 1 0 243.306 2.215 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CCCCC ZINC000717795883 712678257 /nfs/dbraw/zinc/67/82/57/712678257.db2.gz VVSZLOBZXCIAIR-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO N#Cc1csc(C[NH2+]C2(C3CC3)CCC2)n1 ZINC000717830462 712682874 /nfs/dbraw/zinc/68/28/74/712682874.db2.gz TUEFCRFSMOUMMV-UHFFFAOYSA-N 1 0 233.340 2.437 20 30 BEEDRO C=CCOCC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000294697696 712698403 /nfs/dbraw/zinc/69/84/03/712698403.db2.gz UHQCGDGTAWUFMF-CYBMUJFWSA-N 1 0 247.338 2.472 20 30 BEEDRO Cc1cc(C[NH2+]CCCC#N)cc(Cl)n1 ZINC000380200665 712717033 /nfs/dbraw/zinc/71/70/33/712717033.db2.gz SZUBNZKNRRKHLT-UHFFFAOYSA-N 1 0 223.707 2.437 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000037681343 712738020 /nfs/dbraw/zinc/73/80/20/712738020.db2.gz RCICRIHOYOBFJD-RKDXNWHRSA-N 1 0 234.137 2.052 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cc(C)co1 ZINC000718107144 712743469 /nfs/dbraw/zinc/74/34/69/712743469.db2.gz GHLZPEYOMTWCAG-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO Cc1cc(C#N)ccc1N1CCC[N@@H+](C)CC1 ZINC000037732884 712753361 /nfs/dbraw/zinc/75/33/61/712753361.db2.gz QJKMMDUGOQNAEL-UHFFFAOYSA-N 1 0 229.327 2.009 20 30 BEEDRO Cc1nc(C[NH2+]CCCC#N)sc1C ZINC000719529609 712808882 /nfs/dbraw/zinc/80/88/82/712808882.db2.gz DDLKJHTZNZDMIY-UHFFFAOYSA-N 1 0 209.318 2.153 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000719648135 712820472 /nfs/dbraw/zinc/82/04/72/712820472.db2.gz PEZFRCNRGUPQMM-HUBLWGQQSA-N 1 0 243.354 2.301 20 30 BEEDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351742 712832728 /nfs/dbraw/zinc/83/27/28/712832728.db2.gz FMZYAVTYDLXHHZ-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000720468939 712845630 /nfs/dbraw/zinc/84/56/30/712845630.db2.gz AAEFZOHAZNOSIC-ZDUSSCGKSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCC)C[C@H]1CC ZINC001037766119 712886874 /nfs/dbraw/zinc/88/68/74/712886874.db2.gz LCTANSVXCBYUPD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000380351391 712892105 /nfs/dbraw/zinc/89/21/05/712892105.db2.gz VHYYQRSYSSFPLV-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)C1CCOCC1 ZINC000380351388 712892447 /nfs/dbraw/zinc/89/24/47/712892447.db2.gz VHYYQRSYSSFPLV-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCCC[N@@H+](C(C)C)[C@@H]1CCN(C(C)=O)C1 ZINC001209163369 957336613 /nfs/dbraw/zinc/33/66/13/957336613.db2.gz DBVZBXQJXRGVRG-CQSZACIVSA-N 1 0 238.375 2.284 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@]23C[C@H]2CCC3)n1 ZINC000693549750 958777769 /nfs/dbraw/zinc/77/77/69/958777769.db2.gz YVBSHICZTVILFL-SKDRFNHKSA-N 1 0 233.340 2.295 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC001167548861 958857889 /nfs/dbraw/zinc/85/78/89/958857889.db2.gz JEYBLYMIJHPKLT-QWHCGFSZSA-N 1 0 239.359 2.472 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC000693868722 959457423 /nfs/dbraw/zinc/45/74/23/959457423.db2.gz SHIJZXOWKDMAHV-RYUDHWBXSA-N 1 0 226.364 2.214 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCCCCC2)cn1 ZINC000259996250 959579541 /nfs/dbraw/zinc/57/95/41/959579541.db2.gz CJXNUXGEFNCYOH-UHFFFAOYSA-N 1 0 215.300 2.329 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H](CC)CC(C)C ZINC001267452252 959663735 /nfs/dbraw/zinc/66/37/35/959663735.db2.gz GOHGFDHGSOOWRR-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]CC(C)(C)C#N ZINC000694083036 959716733 /nfs/dbraw/zinc/71/67/33/959716733.db2.gz MHSFALZGCQJZSF-LLVKDONJSA-N 1 0 217.316 2.152 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@H+](CC=C)C1 ZINC001267771130 960321512 /nfs/dbraw/zinc/32/15/12/960321512.db2.gz ZKKDGAXKYPJRHH-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](N(CC)C(=O)CC)C1 ZINC001267778751 960338793 /nfs/dbraw/zinc/33/87/93/960338793.db2.gz GSPIWZFZKUKQRH-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)CC(C)(C)C ZINC001267796981 960368490 /nfs/dbraw/zinc/36/84/90/960368490.db2.gz ZQNXOTBYNQABEC-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](N(C)C)[C@H]1C ZINC000931037017 960492497 /nfs/dbraw/zinc/49/24/97/960492497.db2.gz KCPZFBBNXLQRIA-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO CO[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1CC1 ZINC000695836512 960498889 /nfs/dbraw/zinc/49/88/89/960498889.db2.gz NCNJXMDDPBTXME-JQWIXIFHSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)/C(C)=C\CC)C1 ZINC001481699718 961589882 /nfs/dbraw/zinc/58/98/82/961589882.db2.gz QKASNZAOTRGNHA-MVXISAMASA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCCCN1CC2(C1)CCC[NH2+]C2 ZINC000709808709 961629077 /nfs/dbraw/zinc/62/90/77/961629077.db2.gz NZPYSWOCTNHMQE-UHFFFAOYSA-N 1 0 222.376 2.418 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1C[C@H]1C ZINC001268430984 961774649 /nfs/dbraw/zinc/77/46/49/961774649.db2.gz AGNKLRNKKLYWCE-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C(C)=C1CCC1 ZINC001481808645 961835527 /nfs/dbraw/zinc/83/55/27/961835527.db2.gz CMKDCVPFKOYABQ-ZDUSSCGKSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]CCCC ZINC001268661054 962252305 /nfs/dbraw/zinc/25/23/05/962252305.db2.gz HEHCQHXXFNGBII-TZMCWYRMSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)CC(C)=C(C)C ZINC001268659453 962253924 /nfs/dbraw/zinc/25/39/24/962253924.db2.gz SILJPYKXSXLEHM-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001268699898 962295794 /nfs/dbraw/zinc/29/57/94/962295794.db2.gz LHPCCMQGLHWYSU-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)CC ZINC001268729470 962314412 /nfs/dbraw/zinc/31/44/12/962314412.db2.gz NIHDPFPZUWPCTM-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N1CCC(CC[NH2+]CC)CC1 ZINC001269831049 962798855 /nfs/dbraw/zinc/79/88/55/962798855.db2.gz CIIJJZICDCVBQW-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)c1ccsc1 ZINC001154474815 962782186 /nfs/dbraw/zinc/78/21/86/962782186.db2.gz OEDSQWILJGPNGE-UHFFFAOYSA-N 1 0 238.356 2.034 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)/C(C)=C\CC)C1 ZINC001270549192 963013825 /nfs/dbraw/zinc/01/38/25/963013825.db2.gz NWVIDYUVRPEFDV-VDBIKXPHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)C(C)(C)C)C(C)C ZINC001482565552 963759565 /nfs/dbraw/zinc/75/95/65/963759565.db2.gz ITCVIPQIQYDJCK-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC(C)(C)C ZINC001482810814 964209279 /nfs/dbraw/zinc/20/92/79/964209279.db2.gz WBSYEGHYZZQMKS-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC001483242445 964940828 /nfs/dbraw/zinc/94/08/28/964940828.db2.gz JSEZLGGOIINQKS-RYUDHWBXSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)C1(C)CCC1 ZINC001483485279 965019246 /nfs/dbraw/zinc/01/92/46/965019246.db2.gz UKAXSODLRDRYJJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C1(C)CCC1 ZINC001164051312 965715372 /nfs/dbraw/zinc/71/53/72/965715372.db2.gz MVXMXIASKVDQFB-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CC=C(C)C ZINC001235452041 966061997 /nfs/dbraw/zinc/06/19/97/966061997.db2.gz UXEAFPCDUUKEMN-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C ZINC001485180756 966558108 /nfs/dbraw/zinc/55/81/08/966558108.db2.gz GQZFOVQMMCEXQD-RYUDHWBXSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)/C=C(/C)C1CC1 ZINC001717400397 1165765944 /nfs/dbraw/zinc/76/59/44/1165765944.db2.gz DSWXYJLSDICRPH-MNQYACPRSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC ZINC001485267903 966567864 /nfs/dbraw/zinc/56/78/64/966567864.db2.gz XKCJSIGHODUBCB-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCCN(CC)C(=O)CC(C)(C)C[NH3+] ZINC001523558670 966589555 /nfs/dbraw/zinc/58/95/55/966589555.db2.gz NOTBEWYVAGJCMU-UHFFFAOYSA-N 1 0 226.364 2.176 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(=C)C ZINC001690975168 1165793720 /nfs/dbraw/zinc/79/37/20/1165793720.db2.gz TUUHZUPDDZHGPD-CQSZACIVSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)C(C)(C)CC=C ZINC001690980310 1165798378 /nfs/dbraw/zinc/79/83/78/1165798378.db2.gz CSHQYHIGVSTDKN-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)CCC1CCC1 ZINC001266382743 1165809613 /nfs/dbraw/zinc/80/96/13/1165809613.db2.gz CDUJDQIZVVASCJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccc(F)cc1C#N ZINC000304574731 1165841839 /nfs/dbraw/zinc/84/18/39/1165841839.db2.gz RPCOAZHHBVXANC-VIFPVBQESA-N 1 0 222.263 2.026 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001266517786 1165867232 /nfs/dbraw/zinc/86/72/32/1165867232.db2.gz NEEOSZYFFMGCSG-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000922245492 967613768 /nfs/dbraw/zinc/61/37/68/967613768.db2.gz OHCHTTKTIIKXIT-XYPYZODXSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001654915340 1165913315 /nfs/dbraw/zinc/91/33/15/1165913315.db2.gz JQQDURXXYADMGE-VXGBXAGGSA-N 1 0 217.316 2.231 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CCC ZINC001670686304 1165992619 /nfs/dbraw/zinc/99/26/19/1165992619.db2.gz DTFOLTXXAPMDHY-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H]1C ZINC000706769747 1166012152 /nfs/dbraw/zinc/01/21/52/1166012152.db2.gz UHCVCLCVOHPJFX-NSHDSACASA-N 1 0 200.285 2.461 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)CO ZINC001252120530 968604767 /nfs/dbraw/zinc/60/47/67/968604767.db2.gz YDGSOYRSKDBXSH-CHWSQXEVSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCCC[C@H](O)C[N@H+](C)C1COC1 ZINC001252130632 968608146 /nfs/dbraw/zinc/60/81/46/968608146.db2.gz VKYBLBCOIXDFHG-AWEZNQCLSA-N 1 0 243.391 2.429 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H](O)CF ZINC001252139811 968610595 /nfs/dbraw/zinc/61/05/95/968610595.db2.gz SWHKIYZVKZPRPA-CHWSQXEVSA-N 1 0 249.370 2.018 20 30 BEEDRO Cn1cc(C[N@H+](C)C2CC(F)(F)C2)cc1C#N ZINC001207102702 968628996 /nfs/dbraw/zinc/62/89/96/968628996.db2.gz FMDRBDRNDPNFJP-UHFFFAOYSA-N 1 0 239.269 2.126 20 30 BEEDRO C[NH+](C)CC(C)(C)CN1CCC[C@H](CC#N)C1 ZINC001207286909 968719454 /nfs/dbraw/zinc/71/94/54/968719454.db2.gz WIJSAYDPWKLPIZ-CYBMUJFWSA-N 1 0 237.391 2.200 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](C)CC1CCCCC1 ZINC001252470740 968730140 /nfs/dbraw/zinc/73/01/40/968730140.db2.gz OLYFARFHRYXZRC-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C1CCCCCCC1 ZINC001252487987 968747723 /nfs/dbraw/zinc/74/77/23/968747723.db2.gz CZRRGIXHXZCDOH-AWEZNQCLSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C1CCC(C)(C)CC1 ZINC001252493578 968750074 /nfs/dbraw/zinc/75/00/74/968750074.db2.gz QDOJGUNJZYRQAZ-ZDUSSCGKSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCc1ccccc1 ZINC001252541999 968774020 /nfs/dbraw/zinc/77/40/20/968774020.db2.gz YHDMJLOOVHAOQO-AWEZNQCLSA-N 1 0 219.328 2.098 20 30 BEEDRO CCCC[N@H+](CCC#N)C[C@@H]1CCCOC1 ZINC001207467208 968786374 /nfs/dbraw/zinc/78/63/74/968786374.db2.gz CGDSFLSWIZXPMW-ZDUSSCGKSA-N 1 0 224.348 2.429 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@](C)(F)CC1 ZINC001252548250 968789377 /nfs/dbraw/zinc/78/93/77/968789377.db2.gz PBQCVUKWHPCZFT-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC001252550627 968790553 /nfs/dbraw/zinc/79/05/53/968790553.db2.gz OYXSJBLPGDTXKZ-AWEZNQCLSA-N 1 0 235.327 2.064 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001252550866 968792362 /nfs/dbraw/zinc/79/23/62/968792362.db2.gz PEOZUXZNBLDUCV-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC001252556901 968801010 /nfs/dbraw/zinc/80/10/10/968801010.db2.gz GBGFBKIYEPPPHD-UPJWGTAASA-N 1 0 209.333 2.188 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC=CC1 ZINC001691098137 1166131164 /nfs/dbraw/zinc/13/11/64/1166131164.db2.gz ZTLWCVITWVMJBW-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000126769288 1166131357 /nfs/dbraw/zinc/13/13/57/1166131357.db2.gz LCVWGSGOAUQZAQ-SNVBAGLBSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccnc(C)n1 ZINC000126769100 1166131695 /nfs/dbraw/zinc/13/16/95/1166131695.db2.gz LCVWGSGOAUQZAQ-JTQLQIEISA-N 1 0 205.305 2.229 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](CF)c1ccccc1 ZINC001252577190 968830677 /nfs/dbraw/zinc/83/06/77/968830677.db2.gz WDOOLWBYAGQVSP-CHWSQXEVSA-N 1 0 223.291 2.224 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC001252577582 968830987 /nfs/dbraw/zinc/83/09/87/968830987.db2.gz KXUIHEJUBSJIEF-MJBXVCDLSA-N 1 0 217.312 2.069 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(Cl)n1 ZINC001252615819 968875009 /nfs/dbraw/zinc/87/50/09/968875009.db2.gz GPAKJODOMMKNBO-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)CCC=C)cc1 ZINC001252617569 968877134 /nfs/dbraw/zinc/87/71/34/968877134.db2.gz FUXFHKHOZCPRMO-OAHLLOKOSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1CCC(OCC)CC1 ZINC001252621987 968882110 /nfs/dbraw/zinc/88/21/10/968882110.db2.gz LYXJSFLCMZKTJO-MOKVOYLWSA-N 1 0 241.375 2.251 20 30 BEEDRO CC#CC[N@@H+](CCC)CCNC(=O)CCCC ZINC001691175855 1166153675 /nfs/dbraw/zinc/15/36/75/1166153675.db2.gz QAZVBAWTDHWVPI-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000167555961 1166187943 /nfs/dbraw/zinc/18/79/43/1166187943.db2.gz GLLRIXHDOAUTNF-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000167556067 1166187245 /nfs/dbraw/zinc/18/72/45/1166187245.db2.gz GLLRIXHDOAUTNF-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO C#CC[NH2+]C[C@H](O)CCCCCCC=C ZINC001253248576 969124593 /nfs/dbraw/zinc/12/45/93/969124593.db2.gz XNMXCDJWIGCPGH-CYBMUJFWSA-N 1 0 209.333 2.097 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]CCC)C1 ZINC001208261496 969134241 /nfs/dbraw/zinc/13/42/41/969134241.db2.gz OLEXQMPRWYJQMN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#Cc1cc2ccccc2nc1-n1cccc1C[NH3+] ZINC001167581575 1166286383 /nfs/dbraw/zinc/28/63/83/1166286383.db2.gz GHFOGMXOHVLYIA-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC001253602671 969298262 /nfs/dbraw/zinc/29/82/62/969298262.db2.gz LBFQKYABIAJXSK-MJVIPROJSA-N 1 0 217.312 2.371 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cnc(Cl)cc1Cl ZINC001253603349 969300142 /nfs/dbraw/zinc/30/01/42/969300142.db2.gz VWMAYDPVOYHVSL-QMMMGPOBSA-N 1 0 247.125 2.025 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)cc1F ZINC001253606069 969303210 /nfs/dbraw/zinc/30/32/10/969303210.db2.gz YVDSXHJQINUAGI-VHSXEESVSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1F ZINC001253606290 969304039 /nfs/dbraw/zinc/30/40/39/969304039.db2.gz FEGVIAAINKKJEH-SNVBAGLBSA-N 1 0 223.291 2.197 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]1CC ZINC001267214732 1166324865 /nfs/dbraw/zinc/32/48/65/1166324865.db2.gz BNSZPMGNNQFTKJ-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO COCOCCC[N@H+](CCC#N)C1CCCC1 ZINC001209026699 969322833 /nfs/dbraw/zinc/32/28/33/969322833.db2.gz LANQJXGARNMTKL-UHFFFAOYSA-N 1 0 240.347 2.155 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987033 969341471 /nfs/dbraw/zinc/34/14/71/969341471.db2.gz HEOYFTHVHYNXRO-NWDGAFQWSA-N 1 0 238.331 2.071 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)C1CCSCC1 ZINC000308901730 1166356736 /nfs/dbraw/zinc/35/67/36/1166356736.db2.gz BNBILQVIKDTTEM-JQWIXIFHSA-N 1 0 229.389 2.309 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001209200515 969384088 /nfs/dbraw/zinc/38/40/88/969384088.db2.gz JECKFZRBCMTYSQ-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001209200484 969386798 /nfs/dbraw/zinc/38/67/98/969386798.db2.gz IPGXBGXKIILSTE-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@H+]1CCCN(C(=O)OC)CC1 ZINC001209201907 969388111 /nfs/dbraw/zinc/38/81/11/969388111.db2.gz YTGZAEGUOZCYHX-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169100295 969393023 /nfs/dbraw/zinc/39/30/23/969393023.db2.gz IJUIDNXEMQDRHC-CRWXNKLISA-N 1 0 220.360 2.003 20 30 BEEDRO C#CCCC[NH+]1CCC(C)(C(=O)OCC)CC1 ZINC001209266526 969417846 /nfs/dbraw/zinc/41/78/46/969417846.db2.gz VMFWTXTXENTWPU-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)COc1c(C)cccc1C ZINC000158210382 1166402276 /nfs/dbraw/zinc/40/22/76/1166402276.db2.gz ZUHJHANVTHIMPS-UONOGXRCSA-N 1 0 249.354 2.207 20 30 BEEDRO C=CCCCCCC[N@H+]1CC[C@@H](CO)C1 ZINC001209436530 969508774 /nfs/dbraw/zinc/50/87/74/969508774.db2.gz TZJBDXVKYXBJFG-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](CC)CCCNC(C)=O ZINC001731297571 1166430779 /nfs/dbraw/zinc/43/07/79/1166430779.db2.gz NVYSXJIFFGCHFA-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+]C1CCC(F)(F)CC1 ZINC001254208818 969538954 /nfs/dbraw/zinc/53/89/54/969538954.db2.gz ZPCBSGMWGUBSHL-UHFFFAOYSA-N 1 0 247.285 2.273 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CCC(=O)OCC ZINC000309042721 1166471072 /nfs/dbraw/zinc/47/10/72/1166471072.db2.gz MEDISXYEPXRKHE-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)CC ZINC001671270949 1166477931 /nfs/dbraw/zinc/47/79/31/1166477931.db2.gz SIEKPYJUIRXJDO-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254632321 969752008 /nfs/dbraw/zinc/75/20/08/969752008.db2.gz HMIRTVLQVYVINE-NWDGAFQWSA-N 1 0 204.317 2.460 20 30 BEEDRO C[C@H]1CC(C[N@H+](C)CCC#N)C[C@H](C)O1 ZINC000724865702 1166536878 /nfs/dbraw/zinc/53/68/78/1166536878.db2.gz XDYJURNKGOKAHF-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H]1C[C@@]1(C)CC ZINC001169764954 969844963 /nfs/dbraw/zinc/84/49/63/969844963.db2.gz ATCFFLNMXPLBDQ-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CCSCC2)C1 ZINC001255094041 969931257 /nfs/dbraw/zinc/93/12/57/969931257.db2.gz LMBJFBZWKFRKTJ-LLVKDONJSA-N 1 0 209.358 2.227 20 30 BEEDRO C=CC[NH2+]C1(C)CCN(C(=O)/C(C)=C/C)CC1 ZINC001755126961 1166570844 /nfs/dbraw/zinc/57/08/44/1166570844.db2.gz ZQCJWXYWRZFUSW-WUXMJOGZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)/C(C)=C\C)CC1 ZINC001670764462 1166622420 /nfs/dbraw/zinc/62/24/20/1166622420.db2.gz QLSFWJSFYJFBTA-XGICHPGQSA-N 1 0 236.359 2.157 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)C1(CO)CCC1 ZINC000930554919 1166633475 /nfs/dbraw/zinc/63/34/75/1166633475.db2.gz QIRMNARAKYWXHU-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CC)CNC(=O)C1CC1 ZINC001267794397 1166667190 /nfs/dbraw/zinc/66/71/90/1166667190.db2.gz ODXLDYKKEXBVLF-YPMHNXCESA-N 1 0 238.375 2.236 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2cc(C#N)co2)CCO1 ZINC001255537884 970307885 /nfs/dbraw/zinc/30/78/85/970307885.db2.gz RLJJEHVBVZGKRK-NSHDSACASA-N 1 0 234.299 2.198 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCOC(C)(C)C2)C1 ZINC001255546263 970316801 /nfs/dbraw/zinc/31/68/01/970316801.db2.gz NWVVIIJRZSUQBN-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[NH+]1CCN([C@@H](C)CC(F)(F)F)CC1 ZINC001255651175 970431221 /nfs/dbraw/zinc/43/12/21/970431221.db2.gz AKKHPZIVPAKOFF-JTQLQIEISA-N 1 0 236.281 2.131 20 30 BEEDRO C=CC[NH+]1CCN([C@H](C)CC(F)(F)F)CC1 ZINC001255651177 970433723 /nfs/dbraw/zinc/43/37/23/970433723.db2.gz AKKHPZIVPAKOFF-SNVBAGLBSA-N 1 0 236.281 2.131 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@H]1CCCO1 ZINC000686680099 1166746119 /nfs/dbraw/zinc/74/61/19/1166746119.db2.gz CHILFFQGYPNPSM-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO CC[C@H](CC#N)N[C@@H](C)CC[NH+](CC)CC ZINC001255946526 970584834 /nfs/dbraw/zinc/58/48/34/970584834.db2.gz AQLUZZFJYMRFNF-QWHCGFSZSA-N 1 0 225.380 2.389 20 30 BEEDRO C=CCC[N@@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC000980954882 1166836330 /nfs/dbraw/zinc/83/63/30/1166836330.db2.gz AKBQCGXYUPISFZ-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO N#Cc1ccc(Cl)c(CN2CCC[NH2+]CC2)c1 ZINC001204668593 1166840012 /nfs/dbraw/zinc/84/00/12/1166840012.db2.gz ZESYHTWIQQDKIT-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CCCC[C@H]1C#N ZINC001255962844 970604506 /nfs/dbraw/zinc/60/45/06/970604506.db2.gz AMHBZMQMUNHMQY-KGLIPLIRSA-N 1 0 237.391 2.485 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(CCC)CC1 ZINC001282183039 1166883728 /nfs/dbraw/zinc/88/37/28/1166883728.db2.gz FKZQJXSLVQWDBZ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)c1cccc(C)c1 ZINC001753676917 1166903201 /nfs/dbraw/zinc/90/32/01/1166903201.db2.gz IESUHZGRZRUBBZ-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC=CCC1 ZINC001716391405 1166924908 /nfs/dbraw/zinc/92/49/08/1166924908.db2.gz FHFHIUJDAQTLBD-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CC1([NH2+]C2CCC(OCCC)CC2)CC1 ZINC001173092752 975016389 /nfs/dbraw/zinc/01/63/89/975016389.db2.gz CVSBPNXKVVTANG-UHFFFAOYSA-N 1 0 221.344 2.480 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000381746407 1166975459 /nfs/dbraw/zinc/97/54/59/1166975459.db2.gz QBOMLTREWXEJIO-LBPRGKRZSA-N 1 0 223.291 2.425 20 30 BEEDRO C=C1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC)CC1 ZINC001268745093 1166984413 /nfs/dbraw/zinc/98/44/13/1166984413.db2.gz GMLWCIGHCFUVOY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC001332314783 975051249 /nfs/dbraw/zinc/05/12/49/975051249.db2.gz LMYCBIDATYJCLS-QWRGUYRKSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)CCC ZINC001269211234 1166999151 /nfs/dbraw/zinc/99/91/51/1166999151.db2.gz SILYIJRRGOHBDD-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2C[C@@H]2C)CC1 ZINC001173307967 975215942 /nfs/dbraw/zinc/21/59/42/975215942.db2.gz CDYQZOYRIQHVBF-WTIISPKJSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H](C)CN(C)C)CC1 ZINC001173311828 975222258 /nfs/dbraw/zinc/22/22/58/975222258.db2.gz QEBSDVJRZRZOMJ-HSBZDZAISA-N 1 0 240.391 2.040 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173323919 975272475 /nfs/dbraw/zinc/27/24/75/975272475.db2.gz DDTKUWHKGNFGDG-WXRRBKDZSA-N 1 0 224.348 2.065 20 30 BEEDRO N#CCC1CCC([N@H+]2CCCC[C@H]2CO)CC1 ZINC001173332688 975282218 /nfs/dbraw/zinc/28/22/18/975282218.db2.gz QZOLWGJEVMYBJP-RUXDESIVSA-N 1 0 236.359 2.306 20 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238.375 2.355 20 30 BEEDRO CC[C@](C)(C#N)N[C@H](C)CCCCC(=O)OC ZINC001173454067 975395682 /nfs/dbraw/zinc/39/56/82/975395682.db2.gz PLYIUMVBDHZBGG-DGCLKSJQSA-N 1 0 240.347 2.390 20 30 BEEDRO CC(C)[N@H+](CCN)C1CCC(C)(C#N)CC1 ZINC001173584926 975422704 /nfs/dbraw/zinc/42/27/04/975422704.db2.gz SASHZRTZYQUCIK-UHFFFAOYSA-N 1 0 223.364 2.128 20 30 BEEDRO CC1(C#N)CCC([NH+]2CC(C3COC3)C2)CC1 ZINC001173592226 975440619 /nfs/dbraw/zinc/44/06/19/975440619.db2.gz KVXNBRIHCNZKSA-UHFFFAOYSA-N 1 0 234.343 2.037 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCCCCO)CC1 ZINC001173590151 975440927 /nfs/dbraw/zinc/44/09/27/975440927.db2.gz VJRFNWRAUKFUFG-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO C[N@H+]([C@H]1CCOC1)C1CCC(C)(C#N)CC1 ZINC001173596774 975472756 /nfs/dbraw/zinc/47/27/56/975472756.db2.gz CSZVYMXMMUQUJC-CPCZMJQVSA-N 1 0 222.332 2.180 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCCC2(CCC2)O1 ZINC001333487143 975810567 /nfs/dbraw/zinc/81/05/67/975810567.db2.gz SSDWZLVLSKBJJW-QWHCGFSZSA-N 1 0 221.344 2.432 20 30 BEEDRO C=CCCCCCCNC(=O)C(C)(C)C[NH3+] ZINC000309172681 1167261158 /nfs/dbraw/zinc/26/11/58/1167261158.db2.gz AZDRRPYCYXQTCR-UHFFFAOYSA-N 1 0 226.364 2.224 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)CC#N)CCO1 ZINC000309233473 1167271179 /nfs/dbraw/zinc/27/11/79/1167271179.db2.gz XBSMMAIZDNSYGB-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CCOC1CC[NH+](Cc2ccccc2)CC1 ZINC001205006443 1167280353 /nfs/dbraw/zinc/28/03/53/1167280353.db2.gz KXNHUJKJRSSCTE-UHFFFAOYSA-N 1 0 229.323 2.301 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000309448443 1167307297 /nfs/dbraw/zinc/30/72/97/1167307297.db2.gz LXYNPTSQLXWZIT-GRYCIOLGSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(CC)CC ZINC001271217933 1167319481 /nfs/dbraw/zinc/31/94/81/1167319481.db2.gz WEKMNFAXXPRHOV-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](F)CC ZINC001174727277 976975062 /nfs/dbraw/zinc/97/50/62/976975062.db2.gz YBKYJTJYTLUXKA-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001335490537 977095893 /nfs/dbraw/zinc/09/58/93/977095893.db2.gz SXBVASZWPGNVDO-LLVKDONJSA-N 1 0 241.718 2.336 20 30 BEEDRO CC(C)N1CC(Oc2ccccc2CC#N)C1 ZINC001230271992 977152059 /nfs/dbraw/zinc/15/20/59/977152059.db2.gz IPHOIYUSHMZWOB-UHFFFAOYSA-N 1 0 230.311 2.224 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[NH2+]CCC ZINC001491556291 977253171 /nfs/dbraw/zinc/25/31/71/977253171.db2.gz DDMFMPBSVYJSAK-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)C ZINC001230802967 977332895 /nfs/dbraw/zinc/33/28/95/977332895.db2.gz RRMCUXDTEXSRAB-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](C(=O)OCC)C1 ZINC000225399331 1167443639 /nfs/dbraw/zinc/44/36/39/1167443639.db2.gz PKDDFWXVRCXRNR-CHWSQXEVSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cnc(OC)cn1 ZINC001231939707 977811778 /nfs/dbraw/zinc/81/17/78/977811778.db2.gz OTKGZKWLSKGXSA-UHFFFAOYSA-N 1 0 235.331 2.273 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)/C(C)=C/CC ZINC001752863363 1167575412 /nfs/dbraw/zinc/57/54/12/1167575412.db2.gz XMNGDTMCAXLOJF-CNELAYHGSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C[C@H](OC)C1CCCCC1 ZINC001336741060 977899648 /nfs/dbraw/zinc/89/96/48/977899648.db2.gz AQVFRYGVXZDFEC-KBPBESRZSA-N 1 0 241.375 2.372 20 30 BEEDRO COC1(C[N@@H+]2CCC[C@@H](CC#N)C2)CCC1 ZINC001336754564 977919705 /nfs/dbraw/zinc/91/97/05/977919705.db2.gz JJMJEWSUZAHWRC-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)CCc1ccccc1 ZINC001336763253 977931730 /nfs/dbraw/zinc/93/17/30/977931730.db2.gz MVJXBMNZTTWCTD-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C[NH2+]CC)C1CC1 ZINC001483562316 1167624852 /nfs/dbraw/zinc/62/48/52/1167624852.db2.gz HIIOJMHIZNIJPA-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C[NH2+]CC)C1CC1 ZINC001483562317 1167624950 /nfs/dbraw/zinc/62/49/50/1167624950.db2.gz HIIOJMHIZNIJPA-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC1([NH2+][C@H]2CCc3cc(F)ccc3C2)CC1 ZINC001168412558 1167668932 /nfs/dbraw/zinc/66/89/32/1167668932.db2.gz QKUNNBXPYXPGCG-AWEZNQCLSA-N 1 0 229.298 2.438 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168412755 1167672499 /nfs/dbraw/zinc/67/24/99/1167672499.db2.gz SUXXZWZTSNIXGC-AWEZNQCLSA-N 1 0 217.287 2.296 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@@H](O)CCC(C)C ZINC001120596781 1167685152 /nfs/dbraw/zinc/68/51/52/1167685152.db2.gz YOGDVESCUYXISP-STQMWFEESA-N 1 0 211.349 2.175 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001337250742 978244955 /nfs/dbraw/zinc/24/49/55/978244955.db2.gz ZPLBUBZTSGKYPF-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cncn1CCC ZINC000313492210 1167737892 /nfs/dbraw/zinc/73/78/92/1167737892.db2.gz MLUVOLUHWQZZTN-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]CC#Cc1ccccc1 ZINC000310442953 1167772529 /nfs/dbraw/zinc/77/25/29/1167772529.db2.gz SWQJPAFLJQRODD-HNNXBMFYSA-N 1 0 231.339 2.035 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2[nH]ccc2C#N)C1 ZINC001233047571 978435530 /nfs/dbraw/zinc/43/55/30/978435530.db2.gz DADTXXJCQFCWIR-PHIMTYICSA-N 1 0 217.316 2.364 20 30 BEEDRO C#CCSCC[NH2+]C1CCC(OCC)CC1 ZINC000691150609 1167782135 /nfs/dbraw/zinc/78/21/35/1167782135.db2.gz FFUIDNBKESQYNE-UHFFFAOYSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1O ZINC001233454245 978609603 /nfs/dbraw/zinc/60/96/03/978609603.db2.gz NHWRHRWCCGTGNN-UHFFFAOYSA-N 1 0 243.228 2.476 20 30 BEEDRO C#CCN1CC[NH+](Cc2cc(C)c(C)s2)CC1 ZINC001233693369 978675120 /nfs/dbraw/zinc/67/51/20/978675120.db2.gz VLAYKVQQTUVAGM-UHFFFAOYSA-N 1 0 248.395 2.116 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]C(C)C)[C@@H]1C ZINC001179451668 978707102 /nfs/dbraw/zinc/70/71/02/978707102.db2.gz DDZGBIQSLLELKP-STQMWFEESA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C1CC1 ZINC001277913986 978944575 /nfs/dbraw/zinc/94/45/75/978944575.db2.gz LFDUTBYRXRXKNA-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]CCN(C)CCc1cccc(C)c1 ZINC001235839807 979153881 /nfs/dbraw/zinc/15/38/81/979153881.db2.gz YVYJIJAODAIPEF-UHFFFAOYSA-N 1 0 232.371 2.245 20 30 BEEDRO COCC[N@H+](Cc1ccccc1C#N)C(C)C ZINC000110450992 1168239553 /nfs/dbraw/zinc/23/95/53/1168239553.db2.gz PDCKUAXPXADWIP-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]Cc1cccc(C)c1 ZINC001124631775 1168249002 /nfs/dbraw/zinc/24/90/02/1168249002.db2.gz PXLXPMZYAPVDJC-UHFFFAOYSA-N 1 0 246.354 2.167 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C(C)C)C1CCC1 ZINC001341581066 979479552 /nfs/dbraw/zinc/47/95/52/979479552.db2.gz MEXVGQJEZKNBHM-ZDUSSCGKSA-N 1 0 238.375 2.460 20 30 BEEDRO C=CC1(CC(=O)N[C@@H](C)CC[NH3+])CCCCC1 ZINC001341749580 979544376 /nfs/dbraw/zinc/54/43/76/979544376.db2.gz XQPKPPVAEVTTNW-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC1(CC(=O)N[C@H](C)CC[NH3+])CCCCC1 ZINC001341749578 979546170 /nfs/dbraw/zinc/54/61/70/979546170.db2.gz XQPKPPVAEVTTNW-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@]1(C)CCCS1 ZINC000320279755 1168294704 /nfs/dbraw/zinc/29/47/04/1168294704.db2.gz NNOSPWINZJCHHK-NEPJUHHUSA-N 1 0 229.389 2.189 20 30 BEEDRO S=C1C=COC1C[NH+]1CCC(S)CC1 ZINC001237189536 979839882 /nfs/dbraw/zinc/83/98/82/979839882.db2.gz DLXZKWXGKYHIIQ-UHFFFAOYSA-N 1 0 229.370 2.463 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C(=O)CC)C(C)C ZINC001486360037 1168359473 /nfs/dbraw/zinc/35/94/73/1168359473.db2.gz IAGPXFRJCIPUNT-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[NH2+]CC)[C@H](C)C1 ZINC001184077176 979938402 /nfs/dbraw/zinc/93/84/02/979938402.db2.gz HCAHBEOWOXWNAW-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H](C)c1ccc(F)cc1 ZINC001184116482 979955849 /nfs/dbraw/zinc/95/58/49/979955849.db2.gz YWPGISZHLDKGRM-LLVKDONJSA-N 1 0 205.276 2.494 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000085356754 1168389552 /nfs/dbraw/zinc/38/95/52/1168389552.db2.gz HNBDDXCKSDMZJH-STQMWFEESA-N 1 0 243.310 2.014 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCC1(OC)OC ZINC000710999625 1168400161 /nfs/dbraw/zinc/40/01/61/1168400161.db2.gz WFSIDWGIZPZCPI-WDEREUQCSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1(CC)CCC1 ZINC001343277195 980052572 /nfs/dbraw/zinc/05/25/72/980052572.db2.gz FELBZAUECHZQDD-LLVKDONJSA-N 1 0 224.348 2.119 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000232423592 1168455706 /nfs/dbraw/zinc/45/57/06/1168455706.db2.gz RWLMWJPEKVBDKG-UHFFFAOYSA-N 1 0 207.248 2.034 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC=CCC2)C1 ZINC001086305903 1168468848 /nfs/dbraw/zinc/46/88/48/1168468848.db2.gz LTDHCSYCQQOSRI-IHRRRGAJSA-N 1 0 248.370 2.013 20 30 BEEDRO CCCCCCCCOC(=O)N[C@@H]1CC[NH2+]C1 ZINC001239318653 980527615 /nfs/dbraw/zinc/52/76/15/980527615.db2.gz RTBPAYPKNJDDQF-GFCCVEGCSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCCOC(=O)N[C@H]1CC[NH2+]C1 ZINC001239319744 980530965 /nfs/dbraw/zinc/53/09/65/980530965.db2.gz RTBPAYPKNJDDQF-LBPRGKRZSA-N 1 0 242.363 2.435 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC001345075898 980541697 /nfs/dbraw/zinc/54/16/97/980541697.db2.gz JPFSRTNRJZIIAL-UHFFFAOYSA-N 1 0 231.343 2.191 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000766949221 1168502512 /nfs/dbraw/zinc/50/25/12/1168502512.db2.gz FJFMTYCOLXYDEJ-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO Cc1ccc(-c2c[nH+]ccc2N)c(C#N)c1 ZINC001242592341 1168508579 /nfs/dbraw/zinc/50/85/79/1168508579.db2.gz AJFCAFXUSSOYIA-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO C[NH2+]CCN(c1ccc(C)c(C#N)n1)C(C)(C)C ZINC001157830386 1168532040 /nfs/dbraw/zinc/53/20/40/1168532040.db2.gz UBPQYCZZZBMIRN-UHFFFAOYSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135357493 1168602197 /nfs/dbraw/zinc/60/21/97/1168602197.db2.gz DGXWVFLUFYIHTI-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CCF ZINC001135358207 1168602286 /nfs/dbraw/zinc/60/22/86/1168602286.db2.gz OOTMMABDZUCUSK-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CC[C@@H](C)CC ZINC001135612117 1168604594 /nfs/dbraw/zinc/60/45/94/1168604594.db2.gz PRPIGZDGUFQMAN-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO N#CCC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171445951 1168672880 /nfs/dbraw/zinc/67/28/80/1168672880.db2.gz NARCAEYHBRHTIE-NSHDSACASA-N 1 0 236.265 2.325 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC001172487284 1168680627 /nfs/dbraw/zinc/68/06/27/1168680627.db2.gz AERAVJCADQAJSB-WOPDTQHZSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC001172487283 1168680699 /nfs/dbraw/zinc/68/06/99/1168680699.db2.gz AERAVJCADQAJSB-SRVKXCTJSA-N 1 0 210.321 2.226 20 30 BEEDRO COCC(C)(C)[NH2+]C1CCC(CC#N)CC1 ZINC001173328347 1168686341 /nfs/dbraw/zinc/68/63/41/1168686341.db2.gz XJSNTGYQYNEWHT-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173333435 1168687332 /nfs/dbraw/zinc/68/73/32/1168687332.db2.gz IMVIVEXCQRBAOZ-FIYWTHMPSA-N 1 0 236.359 2.208 20 30 BEEDRO CCn1cnc(C[NH2+]C2CCC(CC#N)CC2)c1 ZINC001173334818 1168687342 /nfs/dbraw/zinc/68/73/42/1168687342.db2.gz YEMNQFWWQSFFLX-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO N#CCC1CCC([N@@H+]2C[C@H]3CC[C@@H](C2)C3=O)CC1 ZINC001173337309 1168688973 /nfs/dbraw/zinc/68/89/73/1168688973.db2.gz GLHCZKDYJOQYPU-AKJUYKBHSA-N 1 0 246.354 2.370 20 30 BEEDRO CC[N@H+](CCC#N)C1C[C@H](C)O[C@@H](C)C1 ZINC000339009157 1168715296 /nfs/dbraw/zinc/71/52/96/1168715296.db2.gz AKJQTTKTDNDURK-QWRGUYRKSA-N 1 0 210.321 2.178 20 30 BEEDRO C=C(CC)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC001350872051 982106673 /nfs/dbraw/zinc/10/66/73/982106673.db2.gz IDAAUJMJHUXXTR-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C[N@H+](CCCCCO)CC1CCC(C#N)CC1 ZINC001351424970 982316979 /nfs/dbraw/zinc/31/69/79/982316979.db2.gz YGROGHJXJDMKFF-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C=C(C)CCNC(=O)NCC[NH2+]C(CC)CC ZINC001352066538 982453001 /nfs/dbraw/zinc/45/30/01/982453001.db2.gz QGJZFHMXUGSLED-UHFFFAOYSA-N 1 0 241.379 2.030 20 30 BEEDRO N#CCCC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198686069 1168825515 /nfs/dbraw/zinc/82/55/15/1168825515.db2.gz QZFCQSAJEOXFFD-QWHCGFSZSA-N 1 0 222.332 2.324 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198685557 1168826076 /nfs/dbraw/zinc/82/60/76/1168826076.db2.gz MOZGOIZVIIIQDL-STQMWFEESA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCCN1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717024759 1168832975 /nfs/dbraw/zinc/83/29/75/1168832975.db2.gz DIEWFTYZAYWCSH-VHSXEESVSA-N 1 0 236.281 2.164 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](CC1CC1)CC2 ZINC001201911114 1168844553 /nfs/dbraw/zinc/84/45/53/1168844553.db2.gz ROTLXUIIRJKLDD-UHFFFAOYSA-N 1 0 212.296 2.326 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)C1CC(C)C1 ZINC001490174804 1168854753 /nfs/dbraw/zinc/85/47/53/1168854753.db2.gz ITHLGOBTWMFGFH-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+]CCc1ccc(C)cc1 ZINC001352860257 982608614 /nfs/dbraw/zinc/60/86/14/982608614.db2.gz DIAIBXCQCOGQKV-CQSZACIVSA-N 1 0 219.328 2.328 20 30 BEEDRO C#CCC[N@H+](CC/C=C/CC)CCOC ZINC000852749270 1168863582 /nfs/dbraw/zinc/86/35/82/1168863582.db2.gz URLGLAKHZZBETJ-SOFGYWHQSA-N 1 0 209.333 2.314 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001252541966 1168875966 /nfs/dbraw/zinc/87/59/66/1168875966.db2.gz XQVVOCFBWLOICI-ZIAGYGMSSA-N 1 0 232.327 2.156 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1cn[nH]c1 ZINC001198414247 982702534 /nfs/dbraw/zinc/70/25/34/982702534.db2.gz JEYDFHCQTUIYRD-GFCCVEGCSA-N 1 0 205.305 2.340 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001252555667 1168880999 /nfs/dbraw/zinc/88/09/99/1168880999.db2.gz ZUKSQPKXPQGTTP-OAHLLOKOSA-N 1 0 246.354 2.198 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000862445359 1168885553 /nfs/dbraw/zinc/88/55/53/1168885553.db2.gz RICTYZZIMPLICX-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)C1CCCCC1 ZINC001252573297 1168887584 /nfs/dbraw/zinc/88/75/84/1168887584.db2.gz AITKVZZOPWJLLO-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccsc1 ZINC001252587595 1168891407 /nfs/dbraw/zinc/89/14/07/1168891407.db2.gz UEJSTGOOXHPYQC-NSHDSACASA-N 1 0 211.330 2.165 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CC[C@@H]1C ZINC001353419232 982856120 /nfs/dbraw/zinc/85/61/20/982856120.db2.gz IUQMRRZADUOJBB-TUAOUCFPSA-N 1 0 224.348 2.069 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000717852504 1169032262 /nfs/dbraw/zinc/03/22/62/1169032262.db2.gz VZPZXNNMTUKCOO-KGLIPLIRSA-N 1 0 235.371 2.463 20 30 BEEDRO CCC[N@@H+](CCC#N)CCCSC ZINC001201689637 983436635 /nfs/dbraw/zinc/43/66/35/983436635.db2.gz AMLAXWMFOYWQEM-UHFFFAOYSA-N 1 0 200.351 2.365 20 30 BEEDRO CCCCCCC[N@@H+]1CCN2CC[C@@H]2C1 ZINC001201798086 983477109 /nfs/dbraw/zinc/47/71/09/983477109.db2.gz OBBJDPBWJLINBR-CYBMUJFWSA-N 1 0 210.365 2.347 20 30 BEEDRO CCCCCCCCC[N@H+](C)C[C@H](O)CO ZINC001201840027 983489431 /nfs/dbraw/zinc/48/94/31/983489431.db2.gz RVLAFYSELVMFCY-ZDUSSCGKSA-N 1 0 231.380 2.022 20 30 BEEDRO C=CCCCC[N@@H+](C)CCCC(=O)OC ZINC001202252673 983607565 /nfs/dbraw/zinc/60/75/65/983607565.db2.gz ITSOBWPIDCOBJU-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000686676577 1169108489 /nfs/dbraw/zinc/10/84/89/1169108489.db2.gz XZUWBYHHEKLAEK-KBPBESRZSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000686676493 1169109073 /nfs/dbraw/zinc/10/90/73/1169109073.db2.gz HXPHBBNOPGJQSP-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001490255719 983719000 /nfs/dbraw/zinc/71/90/00/983719000.db2.gz HNRJHOWXHKYDMU-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC(F)(F)C(C)(C)C1 ZINC001252547381 983811921 /nfs/dbraw/zinc/81/19/21/983811921.db2.gz HTIGEAQUOVCCEW-NSHDSACASA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000779996242 1169169456 /nfs/dbraw/zinc/16/94/56/1169169456.db2.gz QYABBWGMMQMVMD-UHFFFAOYSA-N 1 0 235.327 2.301 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC12CCCC2 ZINC001252620269 983854697 /nfs/dbraw/zinc/85/46/97/983854697.db2.gz SQFJXLSWNAPPFI-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C=C(C)C ZINC001495996370 984038110 /nfs/dbraw/zinc/03/81/10/984038110.db2.gz LNOVXBLDJDJODT-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(c2cccs2)CC1 ZINC001253580170 1169206667 /nfs/dbraw/zinc/20/66/67/1169206667.db2.gz WOWOJNFMWLNIDZ-LBPRGKRZSA-N 1 0 237.368 2.474 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(c2cccs2)CC1 ZINC001253580159 1169207202 /nfs/dbraw/zinc/20/72/02/1169207202.db2.gz WOWOJNFMWLNIDZ-GFCCVEGCSA-N 1 0 237.368 2.474 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001254635219 1169231964 /nfs/dbraw/zinc/23/19/64/1169231964.db2.gz ONMDORIQZFAKMZ-IRCOFANPSA-N 1 0 210.296 2.406 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001254644129 1169234762 /nfs/dbraw/zinc/23/47/62/1169234762.db2.gz UVMLCPWXSPAJBI-ZIAGYGMSSA-N 1 0 248.370 2.475 20 30 BEEDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC001254649373 1169236981 /nfs/dbraw/zinc/23/69/81/1169236981.db2.gz SIPNHNARQJYCJU-VXGBXAGGSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@H](C)C1CCC1 ZINC001491493731 1169276849 /nfs/dbraw/zinc/27/68/49/1169276849.db2.gz ATUDQFWMWARTID-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)COCC[C@@H](C)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172475480 974770590 /nfs/dbraw/zinc/77/05/90/974770590.db2.gz JWOOQHNQPBRXIW-OLZOCXBDSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(CO)cc1 ZINC001172480365 974779801 /nfs/dbraw/zinc/77/98/01/974779801.db2.gz SNHHWNNXKCFTDL-LBPRGKRZSA-N 1 0 232.327 2.351 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC001116643435 1169302412 /nfs/dbraw/zinc/30/24/12/1169302412.db2.gz CXADCUDSVMVPRZ-JSGCOSHPSA-N 1 0 249.354 2.417 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC001172440056 974797054 /nfs/dbraw/zinc/79/70/54/974797054.db2.gz GIDJAGWUSTWMFT-LLVKDONJSA-N 1 0 236.315 2.444 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCOC(C)C ZINC001172442167 974801597 /nfs/dbraw/zinc/80/15/97/974801597.db2.gz SJZFSPCOJZETOP-VXGBXAGGSA-N 1 0 212.337 2.472 20 30 BEEDRO CC(C)OCC[C@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172455193 974818635 /nfs/dbraw/zinc/81/86/35/974818635.db2.gz RFTNROXMTUUIGD-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCCC#N)n1ccc([C@H](C)[NH3+])n1 ZINC001172487255 974827673 /nfs/dbraw/zinc/82/76/73/974827673.db2.gz GPUYMZSIAJAJNB-ZJUUUORDSA-N 1 0 206.293 2.158 20 30 BEEDRO CC(C)COCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001172464767 974828712 /nfs/dbraw/zinc/82/87/12/974828712.db2.gz OEWXMFWMBPKGJH-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OC)C1CCC1)CC1CC1 ZINC001327521117 972615078 /nfs/dbraw/zinc/61/50/78/972615078.db2.gz XKCITFSTNLOJCQ-CQSZACIVSA-N 1 0 221.344 2.147 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(C#N)s1 ZINC001223289097 972925070 /nfs/dbraw/zinc/92/50/70/972925070.db2.gz SNCJFMKCZAOCNR-JTQLQIEISA-N 1 0 239.364 2.231 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)c1ccc[nH]1 ZINC001154567461 1169415980 /nfs/dbraw/zinc/41/59/80/1169415980.db2.gz VOOYUYSHUDFAKQ-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C=C1CCC1 ZINC001156467118 1169425262 /nfs/dbraw/zinc/42/52/62/1169425262.db2.gz FVFDLXXNXVVBIA-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCCCCO[C@@H]1C[NH+]2CCC1CC2 ZINC001224337075 973571740 /nfs/dbraw/zinc/57/17/40/973571740.db2.gz KXCAYJBOVXYWMO-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224334746 973560282 /nfs/dbraw/zinc/56/02/82/973560282.db2.gz CNQJZOFAMACZNN-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)C1CCCC1 ZINC000402236951 970777916 /nfs/dbraw/zinc/77/79/16/970777916.db2.gz NBOLDEJUVDLXRT-OAHLLOKOSA-N 1 0 244.338 2.466 20 30 BEEDRO CC[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402295151 970782867 /nfs/dbraw/zinc/78/28/67/970782867.db2.gz ZGMVITJQSCWQOF-BXUZGUMPSA-N 1 0 232.327 2.322 20 30 BEEDRO [NH3+]Cc1cccc(NCC#Cc2ccccc2)n1 ZINC001170429352 970797879 /nfs/dbraw/zinc/79/78/79/970797879.db2.gz DNWXGZGDHANFCH-UHFFFAOYSA-N 1 0 237.306 2.004 20 30 BEEDRO C#CCN1CC[NH+](C[C@H](CC)CCCC)CC1 ZINC000183645040 970838202 /nfs/dbraw/zinc/83/82/02/970838202.db2.gz RQNMIZYPMHPPKN-OAHLLOKOSA-N 1 0 236.403 2.454 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCC ZINC001224532709 973748192 /nfs/dbraw/zinc/74/81/92/973748192.db2.gz LUTPXUNDBRHLOV-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO CC(C)[C@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256614853 970879099 /nfs/dbraw/zinc/87/90/99/970879099.db2.gz MAISORLVSUEDRB-GSPSYOTPSA-N 1 0 235.375 2.139 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc([C@@H]2C[C@@H]2C)o1 ZINC001256698427 970924263 /nfs/dbraw/zinc/92/42/63/970924263.db2.gz GIJUUBKAIVJVLL-GXSJLCMTSA-N 1 0 233.315 2.302 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH2+]CC(C)(C)S ZINC001256724302 970943785 /nfs/dbraw/zinc/94/37/85/970943785.db2.gz RRBQCWDOMUWLQB-JTQLQIEISA-N 1 0 224.373 2.311 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H](C)C(C)(C)C ZINC001130289774 970956795 /nfs/dbraw/zinc/95/67/95/970956795.db2.gz TZHNEKLJWKCZSV-JTQLQIEISA-N 1 0 246.782 2.127 20 30 BEEDRO Cc1c(C#N)cccc1Nc1cc[nH+]c(CO)c1 ZINC001216174595 970963363 /nfs/dbraw/zinc/96/33/63/970963363.db2.gz OFHQPQAGZCEWEL-UHFFFAOYSA-N 1 0 239.278 2.498 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH+]1CCC(S)CC1 ZINC001256745441 970981282 /nfs/dbraw/zinc/98/12/82/970981282.db2.gz LAFQQEYNDMYLME-LLVKDONJSA-N 1 0 236.384 2.407 20 30 BEEDRO C=CCCSCC[NH2+]Cc1nn(C)cc1C ZINC000723962524 971013388 /nfs/dbraw/zinc/01/33/88/971013388.db2.gz FLPANRTXDHXASJ-UHFFFAOYSA-N 1 0 239.388 2.127 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256902408 971016309 /nfs/dbraw/zinc/01/63/09/971016309.db2.gz UBVAERRUOCNGAR-LBPRGKRZSA-N 1 0 208.349 2.169 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256903894 971024059 /nfs/dbraw/zinc/02/40/59/971024059.db2.gz FUFYSOJTFGCDRW-CYBMUJFWSA-N 1 0 235.375 2.287 20 30 BEEDRO C[C@H](C#N)N(C)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256923845 971024681 /nfs/dbraw/zinc/02/46/81/971024681.db2.gz MMYKVJNAAKWJPB-OCCSQVGLSA-N 1 0 235.375 2.237 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ncc(F)cn1 ZINC001256958771 971026556 /nfs/dbraw/zinc/02/65/56/971026556.db2.gz OQNAUIKUOGFOLH-GRZMOONWSA-N 1 0 248.305 2.349 20 30 BEEDRO Cc1coc(C[NH2+]C2CCC(C#N)CC2)n1 ZINC001256954283 971031598 /nfs/dbraw/zinc/03/15/98/971031598.db2.gz FPUXPUPDJUOFQX-UHFFFAOYSA-N 1 0 219.288 2.155 20 30 BEEDRO CCc1coc(C[NH2+]C2CCC(C#N)CC2)n1 ZINC001256954872 971029446 /nfs/dbraw/zinc/02/94/46/971029446.db2.gz MMBMUBYSRNZGFU-UHFFFAOYSA-N 1 0 233.315 2.409 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CC23CCOCC3)CC1 ZINC001256957797 971030389 /nfs/dbraw/zinc/03/03/89/971030389.db2.gz FOGMFIPTRWKKGB-WXRRBKDZSA-N 1 0 234.343 2.227 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2C[C@H](F)C2)CC1 ZINC001256956708 971032117 /nfs/dbraw/zinc/03/21/17/971032117.db2.gz ZWJREICZIYVSDK-XKVACCQBSA-N 1 0 210.296 2.406 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cnccn1 ZINC001256958109 971033660 /nfs/dbraw/zinc/03/36/60/971033660.db2.gz UGZVKTGIXBTULV-UNXYVOJBSA-N 1 0 230.315 2.210 20 30 BEEDRO N#CC1CCC([N@@H+]2CCCC3(COC3)C2)CC1 ZINC001256964519 971037760 /nfs/dbraw/zinc/03/77/60/971037760.db2.gz WULDCHRMIOSLCT-UHFFFAOYSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1ccno1 ZINC001256964168 971035154 /nfs/dbraw/zinc/03/51/54/971035154.db2.gz WMKPJGXJFLLUAI-WHXUTIOJSA-N 1 0 219.288 2.408 20 30 BEEDRO N#CC1CCC([N@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)CC1 ZINC001256963658 971035784 /nfs/dbraw/zinc/03/57/84/971035784.db2.gz KBKSVTZJHKRBIR-IUCVHNFVSA-N 1 0 222.307 2.359 20 30 BEEDRO C[N@@H+](C1CCC(C#N)CC1)[C@H]1CC[C@H](O)CC1 ZINC001256963545 971036283 /nfs/dbraw/zinc/03/62/83/971036283.db2.gz IMDWEMTWSBYZNX-XTWLIDDBSA-N 1 0 236.359 2.304 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2C[C@@]23CCCOC3)CC1 ZINC001256963775 971038925 /nfs/dbraw/zinc/03/89/25/971038925.db2.gz OYAVUMUPQRNMGP-NWINJMCUSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@@H]1C[NH+](C2CCC(C#N)CC2)C[C@@H](C)O1 ZINC001256965445 971042711 /nfs/dbraw/zinc/04/27/11/971042711.db2.gz UKSOAJIGFSFFKG-OKZRHMCRSA-N 1 0 222.332 2.178 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@]23CCOC3)CC1 ZINC001256972557 971050513 /nfs/dbraw/zinc/05/05/13/971050513.db2.gz CBHUZBBHTDFDQY-JXQTWKCFSA-N 1 0 234.343 2.324 20 30 BEEDRO CO[C@H](C)C1C[NH+](C2CCC(C#N)CC2)C1 ZINC001256972126 971047963 /nfs/dbraw/zinc/04/79/63/971047963.db2.gz QRTXWIZAISNHRH-XSRFYTQQSA-N 1 0 222.332 2.035 20 30 BEEDRO N#CC1CCC([NH+]2CCC(S)CC2)CC1 ZINC001256970304 971048021 /nfs/dbraw/zinc/04/80/21/971048021.db2.gz XMWRXPRYIPHOTD-UHFFFAOYSA-N 1 0 224.373 2.463 20 30 BEEDRO CC[N@H+](CCn1cccn1)C1CCC(C#N)CC1 ZINC001256970284 971048896 /nfs/dbraw/zinc/04/88/96/971048896.db2.gz WVVCASJGESWFCO-UHFFFAOYSA-N 1 0 246.358 2.287 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256971190 971049121 /nfs/dbraw/zinc/04/91/21/971049121.db2.gz DHKUVJDCTOZAQB-WXRRBKDZSA-N 1 0 217.316 2.304 20 30 BEEDRO C[N@H+](CCCc1ccc(C#N)cc1)C1(C)COC1 ZINC001208862256 1169509043 /nfs/dbraw/zinc/50/90/43/1169509043.db2.gz FVROLDJKALCTMQ-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC001257026839 971068999 /nfs/dbraw/zinc/06/89/99/971068999.db2.gz IBLNISUSFOFSQM-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO CC[C@@](C)(C#N)NC1CC[NH+](C(C)C)CC1 ZINC001257208543 971130793 /nfs/dbraw/zinc/13/07/93/971130793.db2.gz MBIBTOYTFHPRDC-ZDUSSCGKSA-N 1 0 223.364 2.141 20 30 BEEDRO Cc1cc(C#N)cc(Nc2[nH+]ccn2C)c1 ZINC001210386835 1169527561 /nfs/dbraw/zinc/52/75/61/1169527561.db2.gz AJWIBDXMUSZWPC-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C)ns1)C(C)C ZINC000404450278 971162842 /nfs/dbraw/zinc/16/28/42/971162842.db2.gz FXPYUJHWRJDNQV-NSHDSACASA-N 1 0 208.330 2.199 20 30 BEEDRO Cc1cc(C#N)cc(NC(=O)C[NH2+]C(C)(C)C)c1 ZINC000308166710 971192185 /nfs/dbraw/zinc/19/21/85/971192185.db2.gz RPLYIIUZRIVMJO-UHFFFAOYSA-N 1 0 245.326 2.193 20 30 BEEDRO CCCCCC[C@@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001257357299 971270606 /nfs/dbraw/zinc/27/06/06/971270606.db2.gz LTLHGSCNLMQRQF-TUAOUCFPSA-N 1 0 242.363 2.171 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000809683239 971278506 /nfs/dbraw/zinc/27/85/06/971278506.db2.gz WGDPOBAHOVIWAN-GFCCVEGCSA-N 1 0 237.306 2.255 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)[C@@H]1C ZINC000405579385 971280460 /nfs/dbraw/zinc/28/04/60/971280460.db2.gz ISQNEEXYVBWLNS-ISTVAULSSA-N 1 0 248.301 2.210 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1C ZINC000405608335 971281553 /nfs/dbraw/zinc/28/15/53/971281553.db2.gz GKOGIGYQOGVBIH-WOPDTQHZSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CCC)C1 ZINC001131894627 971287622 /nfs/dbraw/zinc/28/76/22/971287622.db2.gz AJKDCRQQEFXYPO-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCCOC(=O)CC[C@H](C)[NH2+]CCCS ZINC001257385535 971294728 /nfs/dbraw/zinc/29/47/28/971294728.db2.gz ITVDXXUQWIOQPV-NSHDSACASA-N 1 0 247.404 2.408 20 30 BEEDRO CCCCOC(=O)CC[C@@H](C)[NH2+]CCS ZINC001257388504 971297227 /nfs/dbraw/zinc/29/72/27/971297227.db2.gz NOSPTEFYQKDIAC-SNVBAGLBSA-N 1 0 233.377 2.018 20 30 BEEDRO C#CCC[NH2+][C@@H](C)CCC(=O)OCCCC ZINC001257385383 971297714 /nfs/dbraw/zinc/29/77/14/971297714.db2.gz HCUNJKGSAUSLOP-LBPRGKRZSA-N 1 0 225.332 2.111 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000405749997 971299581 /nfs/dbraw/zinc/29/95/81/971299581.db2.gz XOYZZPHTUOKTLG-ISTVAULSSA-N 1 0 248.301 2.210 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@](C)([NH3+])C1 ZINC000405772023 971307799 /nfs/dbraw/zinc/30/77/99/971307799.db2.gz AEXZWCHQXOECEB-ZDUSSCGKSA-N 1 0 226.364 2.297 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001257428954 971333279 /nfs/dbraw/zinc/33/32/79/971333279.db2.gz GMOOJLPHSCULQQ-VIFPVBQESA-N 1 0 201.273 2.062 20 30 BEEDRO CC[NH+](CC)CCOC1CCC(C#N)CC1 ZINC001224926944 974077231 /nfs/dbraw/zinc/07/72/31/974077231.db2.gz BQXYNVVVSXEGGU-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+]([C@H](C)CC)C1 ZINC001257448517 971366252 /nfs/dbraw/zinc/36/62/52/971366252.db2.gz UITHURJZJSHSIM-NEPJUHHUSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@H](F)C(C)C ZINC001132556942 971375659 /nfs/dbraw/zinc/37/56/59/971375659.db2.gz OILSDACQFGBTOW-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC[C@H](C)F ZINC001132653912 971396523 /nfs/dbraw/zinc/39/65/23/971396523.db2.gz UTPXNHVRTVKKJX-RYUDHWBXSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)CC(=C)C ZINC001132663218 971399468 /nfs/dbraw/zinc/39/94/68/971399468.db2.gz SAWXHLINJSPSFF-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C/C=C/Cl ZINC001132663343 971399490 /nfs/dbraw/zinc/39/94/90/971399490.db2.gz VBQZYLQGCDLVCB-SGUJLRQBSA-N 1 0 244.766 2.047 20 30 BEEDRO CCCCCCCO[C@@H]1C[NH2+]C[C@@H]1F ZINC001217775916 971401032 /nfs/dbraw/zinc/40/10/32/971401032.db2.gz FXRKPRFRIXAJPZ-WDEREUQCSA-N 1 0 203.301 2.283 20 30 BEEDRO N#CC1CCC(OC[C@@H]2CCC[NH2+]C2)CC1 ZINC001217832423 971426500 /nfs/dbraw/zinc/42/65/00/971426500.db2.gz SDWJTAJAJMWYKN-OTTFEQOBSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C[C@H](O[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001217822184 971418197 /nfs/dbraw/zinc/41/81/97/971418197.db2.gz GEMZILODWLZYRN-STQMWFEESA-N 1 0 203.285 2.292 20 30 BEEDRO CCCCC[C@H](C)N[C@@H](CS)C(=O)OC ZINC001257501686 971418713 /nfs/dbraw/zinc/41/87/13/971418713.db2.gz KTHSSCFUXLWRQY-UWVGGRQHSA-N 1 0 233.377 2.016 20 30 BEEDRO C=C(CO[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001217822925 971421359 /nfs/dbraw/zinc/42/13/59/971421359.db2.gz SAVQWSLJDRSYDN-ZDUSSCGKSA-N 1 0 203.285 2.078 20 30 BEEDRO N#CCCCCCCO[C@H]1CCC[NH2+]C1 ZINC001217857830 971448028 /nfs/dbraw/zinc/44/80/28/971448028.db2.gz VHCAYAJPVPLCBM-LBPRGKRZSA-N 1 0 210.321 2.229 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001133063245 971449416 /nfs/dbraw/zinc/44/94/16/971449416.db2.gz XHFDRINMTWELKZ-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001133062942 971449508 /nfs/dbraw/zinc/44/95/08/971449508.db2.gz RNEXIPXKPIPAJT-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(CO[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217861609 971454153 /nfs/dbraw/zinc/45/41/53/971454153.db2.gz XXVKVRPPPRBHDR-CQSZACIVSA-N 1 0 217.312 2.468 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CCC(C)C ZINC001133157627 971460533 /nfs/dbraw/zinc/46/05/33/971460533.db2.gz NKZAWFMIQGTYQT-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CCCC(C)C ZINC001133143135 971461531 /nfs/dbraw/zinc/46/15/31/971461531.db2.gz QNGIUQVJSLELKZ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[C@H](CCC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217867840 971461584 /nfs/dbraw/zinc/46/15/84/971461584.db2.gz WCDNNHZIWWFCMF-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CCO[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000812234767 971476750 /nfs/dbraw/zinc/47/67/50/971476750.db2.gz UXCBIYZOLHDXDM-UHFFFAOYSA-N 1 0 216.284 2.126 20 30 BEEDRO C#C[C@H](CCCCC)OC[C@H]1CCC[NH2+]1 ZINC001217885155 971482083 /nfs/dbraw/zinc/48/20/83/971482083.db2.gz BGMHZVHFRTWWDX-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO CC#CC[C@@H](CC)OC[C@H]1CCC[NH2+]C1 ZINC001217891741 971490924 /nfs/dbraw/zinc/49/09/24/971490924.db2.gz AWSUHZYCGUNBLK-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H](CCCC)OC[C@@H]1CCC[NH2+]C1 ZINC001217893646 971492471 /nfs/dbraw/zinc/49/24/71/971492471.db2.gz QRALRQMXBFXPMR-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCCC1(C(=O)NCC[NH2+]CCCC)CC1 ZINC001133373699 971501420 /nfs/dbraw/zinc/50/14/20/971501420.db2.gz GEUBSZIXTOAHMH-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C3(C)COC3)C[C@H](C1)C2 ZINC001257886438 971519329 /nfs/dbraw/zinc/51/93/29/971519329.db2.gz GRVXWERGWJAZEJ-FUNVUKJBSA-N 1 0 221.344 2.500 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C(C)(C)CO)C[C@H](C1)C2 ZINC001257887394 971517592 /nfs/dbraw/zinc/51/75/92/971517592.db2.gz UWFVKNYQOQRFJI-FUNVUKJBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]CC3(F)COC3)C[C@H](C1)C2 ZINC001257888502 971521241 /nfs/dbraw/zinc/52/12/41/971521241.db2.gz QGLVPATXGPOXCI-FUNVUKJBSA-N 1 0 239.334 2.449 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]CC3OCCO3)C[C@H](C1)C2 ZINC001257888718 971521796 /nfs/dbraw/zinc/52/17/96/971521796.db2.gz ZLTWIWCNVCMMIF-FUNVUKJBSA-N 1 0 237.343 2.084 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+]3CC[C@H]3C(=O)OC)C[C@H](C1)C2 ZINC001257891750 971523313 /nfs/dbraw/zinc/52/33/13/971523313.db2.gz NZMLOQOXKFKKLX-PIGZVRMJSA-N 1 0 249.354 2.369 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H]4C[C@H]3C(=O)O4)C[C@H](C1)C2 ZINC001257893917 971526699 /nfs/dbraw/zinc/52/66/99/971526699.db2.gz DGTJQPBTGBDUEA-AEBFUODCSA-N 1 0 247.338 2.121 20 30 BEEDRO C=CCCCCCO[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001217924106 971528923 /nfs/dbraw/zinc/52/89/23/971528923.db2.gz DPMMIJFPAHYCTE-UPJWGTAASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001133443060 971529777 /nfs/dbraw/zinc/52/97/77/971529777.db2.gz MIGRNAWSSWPJBP-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C#CCCCC[NH2+]C1CCC2(COC2)CC1 ZINC001257901448 971534546 /nfs/dbraw/zinc/53/45/46/971534546.db2.gz HGKZXBCVDQTUJG-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO N#C[C@H](OC[C@H]1CCC[NH2+]C1)c1ccccc1F ZINC001217930231 971535042 /nfs/dbraw/zinc/53/50/42/971535042.db2.gz NRMTZYOHOHNVSY-FZMZJTMJSA-N 1 0 248.301 2.407 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CCCC1 ZINC001133465497 971536664 /nfs/dbraw/zinc/53/66/64/971536664.db2.gz OOVHCLXNDONKNF-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C[NH2+][C@H]1C[C@@H](Oc2cc(C)c(C#N)c(C)c2)C1 ZINC001217955800 971544642 /nfs/dbraw/zinc/54/46/42/971544642.db2.gz CRVQMQPBRZRTJY-BJHJDKERSA-N 1 0 230.311 2.304 20 30 BEEDRO C=CCc1ccccc1O[C@H]1C[NH2+]CC[C@@H]1F ZINC001217958013 971544974 /nfs/dbraw/zinc/54/49/74/971544974.db2.gz ABFPVHNBYOGEMW-JSGCOSHPSA-N 1 0 235.302 2.494 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257952370 971545315 /nfs/dbraw/zinc/54/53/15/971545315.db2.gz HTODKLUIFIDSHG-SKDRFNHKSA-N 1 0 235.714 2.255 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)F ZINC001133474161 971545382 /nfs/dbraw/zinc/54/53/82/971545382.db2.gz QFJFSOWDZWFPQZ-WDEREUQCSA-N 1 0 244.354 2.184 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]C[C@H]2C)c(C)cc1C#N ZINC001217964493 971547089 /nfs/dbraw/zinc/54/70/89/971547089.db2.gz APJDKUHFIXYBMQ-RISCZKNCSA-N 1 0 230.311 2.162 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CCCC[C@@H]2C#N)CC1 ZINC001258017253 971553292 /nfs/dbraw/zinc/55/32/92/971553292.db2.gz XYEUUTYLWMRXAL-OAHLLOKOSA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1cc(C#N)ccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217979463 971557628 /nfs/dbraw/zinc/55/76/28/971557628.db2.gz HKOQSJXNPVOVLQ-GXTWGEPZSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cccc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1C#N ZINC001217975162 971559395 /nfs/dbraw/zinc/55/93/95/971559395.db2.gz HQBBTIQOIJMJIW-GXTWGEPZSA-N 1 0 248.301 2.336 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)C ZINC001133540433 971559837 /nfs/dbraw/zinc/55/98/37/971559837.db2.gz LWPXSWSXCWGHLB-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC ZINC001133555933 971561469 /nfs/dbraw/zinc/56/14/69/971561469.db2.gz QYUHRPZENDYUGX-QWRGUYRKSA-N 1 0 246.782 2.412 20 30 BEEDRO CCCCCCC[C@@H](C)n1nnc(CN)n1 ZINC001258038996 971561524 /nfs/dbraw/zinc/56/15/24/971561524.db2.gz IQQGKPHNGXAMRG-SNVBAGLBSA-N 1 0 225.340 2.053 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CC1(O)COC1 ZINC001258042741 971564462 /nfs/dbraw/zinc/56/44/62/971564462.db2.gz XANUKDXGNXUTTC-GFCCVEGCSA-N 1 0 229.364 2.086 20 30 BEEDRO C=CCc1ccccc1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001217997936 971564759 /nfs/dbraw/zinc/56/47/59/971564759.db2.gz HPARKIOZSYOBIZ-WCQYABFASA-N 1 0 221.275 2.104 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001133590151 971572872 /nfs/dbraw/zinc/57/28/72/971572872.db2.gz GHHATGXMRHSSRQ-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO CCCCCCC[C@@H](C)[NH+]1CC(C(N)=O)C1 ZINC001258050921 971573292 /nfs/dbraw/zinc/57/32/92/971573292.db2.gz ZMESWZKRDBZRMX-LLVKDONJSA-N 1 0 226.364 2.153 20 30 BEEDRO Cc1cc(O[C@@H]2C[NH2+]C[C@H]2C)c(C)cc1C#N ZINC001218034699 971581135 /nfs/dbraw/zinc/58/11/35/971581135.db2.gz APJDKUHFIXYBMQ-BXUZGUMPSA-N 1 0 230.311 2.162 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)/C(C)=C\C ZINC001277157440 1169613651 /nfs/dbraw/zinc/61/36/51/1169613651.db2.gz ZGFSRZXTQZVNDM-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133759147 971597760 /nfs/dbraw/zinc/59/77/60/971597760.db2.gz QSMZQQAZOLRRAY-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(CC)CC ZINC001133768647 971600905 /nfs/dbraw/zinc/60/09/05/971600905.db2.gz ICAYJBOLNIUGEU-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC1CC1 ZINC001133888244 971616873 /nfs/dbraw/zinc/61/68/73/971616873.db2.gz HCISTPCRVQEFJY-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO CC#CC[C@@H](CC)OC1CC[NH+](C)CC1 ZINC001222509255 972536569 /nfs/dbraw/zinc/53/65/69/972536569.db2.gz JXMJXCDSWRZJFB-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C)cc1F ZINC001218205633 971626985 /nfs/dbraw/zinc/62/69/85/971626985.db2.gz GISWORHRWPQFKZ-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(OC)c(C)c1 ZINC001218206657 971627253 /nfs/dbraw/zinc/62/72/53/971627253.db2.gz DRJVMAGLRZCIJE-CQSZACIVSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc(C)c1F ZINC001218207801 971627395 /nfs/dbraw/zinc/62/73/95/971627395.db2.gz UJNXMJSISLFAGX-GFCCVEGCSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1nc2cc(C)ccc2[nH]1 ZINC001218203895 971627919 /nfs/dbraw/zinc/62/79/19/971627919.db2.gz JSSMXBBSSXGKLU-ZDUSSCGKSA-N 1 0 243.310 2.168 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)cc(OC)c1 ZINC001218204291 971628352 /nfs/dbraw/zinc/62/83/52/971628352.db2.gz PFHGAYVDEJOAMB-AWEZNQCLSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(OC)ccc1C ZINC001218208230 971629498 /nfs/dbraw/zinc/62/94/98/971629498.db2.gz YSQOTSKTWMAVOM-AWEZNQCLSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc2c(ccn2C)c1 ZINC001218207999 971630304 /nfs/dbraw/zinc/63/03/04/971630304.db2.gz VDOCUSNZUKCYOM-OAHLLOKOSA-N 1 0 242.322 2.475 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C=C/C1CC1 ZINC001134017272 971637972 /nfs/dbraw/zinc/63/79/72/971637972.db2.gz BIQUTYWXBHDAOE-IDDPWSFUSA-N 1 0 236.359 2.012 20 30 BEEDRO CC1(C)[C@@H]2C[C@H](NC(=[NH2+])c3ccc(F)cn3)C[C@@H]21 ZINC001170720875 971651837 /nfs/dbraw/zinc/65/18/37/971651837.db2.gz OSEMANWCVLBRPH-JGPRNRPPSA-N 1 0 247.317 2.361 20 30 BEEDRO CC(=O)/C=C/c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001218284487 971680259 /nfs/dbraw/zinc/68/02/59/971680259.db2.gz RLSRZEVXVWNIIP-MBVDDHJVSA-N 1 0 245.322 2.420 20 30 BEEDRO C#C[C@@H](CC)Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218290025 971685257 /nfs/dbraw/zinc/68/52/57/971685257.db2.gz CSVKTNSTDHYNNS-ZDUSSCGKSA-N 1 0 229.323 2.431 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC ZINC001134250924 971686543 /nfs/dbraw/zinc/68/65/43/971686543.db2.gz CFISLGZOQHYWPL-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO CC[C@@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110809 974372625 /nfs/dbraw/zinc/37/26/25/974372625.db2.gz PKOBZFAVCAZRKO-FQUUOJAGSA-N 1 0 235.375 2.284 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)C1CCCC1 ZINC001170747667 971711648 /nfs/dbraw/zinc/71/16/48/971711648.db2.gz TUZZSCZRJPOIIE-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CCC(C)C ZINC001134428409 971721531 /nfs/dbraw/zinc/72/15/31/971721531.db2.gz LUKRFFHSMKALFW-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc2cc(C#N)ccc2c1 ZINC001218382255 971761226 /nfs/dbraw/zinc/76/12/26/971761226.db2.gz IVLXQMXKIJIYPI-ZUZCIYMTSA-N 1 0 238.290 2.451 20 30 BEEDRO C=C(C)n1c2ccccc2nc1O[C@@H]1C[NH2+][C@@H]1C ZINC001218383338 971761347 /nfs/dbraw/zinc/76/13/47/971761347.db2.gz NGUXZDRQPSSWBJ-ZWNOBZJWSA-N 1 0 243.310 2.266 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001134741098 971777937 /nfs/dbraw/zinc/77/79/37/971777937.db2.gz KMMYHPNUYZINDE-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC001330842826 974500288 /nfs/dbraw/zinc/50/02/88/974500288.db2.gz YKPCOTKPDLXDJF-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO CC#C[C@H](CC)Oc1cccc(C[NH3+])c1 ZINC001218438857 971817155 /nfs/dbraw/zinc/81/71/55/971817155.db2.gz MULMVMLOLLMZGE-LBPRGKRZSA-N 1 0 203.285 2.326 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)C=C ZINC001135231061 971854699 /nfs/dbraw/zinc/85/46/99/971854699.db2.gz VTSPTTWCWVCUFF-NWDGAFQWSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C=C ZINC001135231063 971854604 /nfs/dbraw/zinc/85/46/04/971854604.db2.gz VTSPTTWCWVCUFF-VXGBXAGGSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCF ZINC001135236104 971852084 /nfs/dbraw/zinc/85/20/84/971852084.db2.gz QCQFNGJSKRPPNK-WDEREUQCSA-N 1 0 244.354 2.041 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]COc1ccccc1 ZINC001170805028 971856767 /nfs/dbraw/zinc/85/67/67/971856767.db2.gz VKQGXLUGPCYSPT-UHFFFAOYSA-N 1 0 219.360 2.451 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)(F)F ZINC001135402593 971888767 /nfs/dbraw/zinc/88/87/67/971888767.db2.gz OPZDRIQZGWSEHS-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](C)CCCCCC ZINC001135546994 971912629 /nfs/dbraw/zinc/91/26/29/971912629.db2.gz GOTJDWWXLQGKIU-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[N@H+](C)CCC#N ZINC001172333939 974600163 /nfs/dbraw/zinc/60/01/63/974600163.db2.gz AXNFNHLERMGACO-NEPJUHHUSA-N 1 0 212.337 2.426 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[N@H+](C)CCC#N ZINC001172333947 974601218 /nfs/dbraw/zinc/60/12/18/974601218.db2.gz AXNFNHLERMGACO-VXGBXAGGSA-N 1 0 212.337 2.426 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C/CC ZINC001276801488 971976155 /nfs/dbraw/zinc/97/61/55/971976155.db2.gz PWTJKTQEIQLAFN-BWODNOAJSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CC(CC)CC ZINC001135843004 971977599 /nfs/dbraw/zinc/97/75/99/971977599.db2.gz IMNFPFXHNQUALZ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO Cc1cc(Cl)c(C#N)c(NCC[C@@H](C)[NH3+])n1 ZINC001170886867 972033714 /nfs/dbraw/zinc/03/37/14/972033714.db2.gz JMMHBJCYLDQUKI-SSDOTTSWSA-N 1 0 238.722 2.064 20 30 BEEDRO C=C(C)c1ccc(NCC[C@@H](C)[NH3+])nc1 ZINC001170889714 972038286 /nfs/dbraw/zinc/03/82/86/972038286.db2.gz KVTDFJDKSDRCGP-SNVBAGLBSA-N 1 0 205.305 2.264 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]C[C@@H](O)CO ZINC001172347491 974617488 /nfs/dbraw/zinc/61/74/88/974617488.db2.gz VYPBYIABNRHKDK-QWHCGFSZSA-N 1 0 231.380 2.068 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172353898 974624885 /nfs/dbraw/zinc/62/48/85/974624885.db2.gz PGXUSDGNDDDFHV-AGIUHOORSA-N 1 0 224.348 2.426 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170960791 972167360 /nfs/dbraw/zinc/16/73/60/972167360.db2.gz HNZGJZXIRHTQJJ-LBPRGKRZSA-N 1 0 217.287 2.296 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170961233 972169199 /nfs/dbraw/zinc/16/91/99/972169199.db2.gz OVIGTYNKGUWJTG-ZYHUDNBSSA-N 1 0 217.287 2.294 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)c1ccccc1 ZINC001136473191 972182324 /nfs/dbraw/zinc/18/23/24/972182324.db2.gz DKIMFQBJTIYWJB-UHFFFAOYSA-N 1 0 246.354 2.156 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC000705269114 957029011 /nfs/dbraw/zinc/02/90/11/957029011.db2.gz WUVXPMVKLRGPHW-SWLSCSKDSA-N 1 0 244.338 2.212 20 30 BEEDRO CC1(C)CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402122244 957058031 /nfs/dbraw/zinc/05/80/31/957058031.db2.gz BYCGCYHUOPFYQY-AWEZNQCLSA-N 1 0 244.338 2.466 20 30 BEEDRO C[N@H+]1CC=C(Nc2c(C#N)cccc2C#N)CC1 ZINC001208838676 957180902 /nfs/dbraw/zinc/18/09/02/957180902.db2.gz RFJIJRLGLBHZCT-UHFFFAOYSA-N 1 0 238.294 2.061 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000691551561 972255176 /nfs/dbraw/zinc/25/51/76/972255176.db2.gz SQZMODDEKIYWNU-MNOVXSKESA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@H](CC)CC(C)C ZINC001266347801 957321782 /nfs/dbraw/zinc/32/17/82/957321782.db2.gz RSJCTOGJQTWIAM-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC[NH+]1CCN(c2ccc(C)cn2)CC1 ZINC001209160223 957341008 /nfs/dbraw/zinc/34/10/08/957341008.db2.gz KBMMQGKWIYBIES-UHFFFAOYSA-N 1 0 245.370 2.478 20 30 BEEDRO C#CCCC[NH+]1CCC(Oc2cccnc2)CC1 ZINC001209265762 957369146 /nfs/dbraw/zinc/36/91/46/957369146.db2.gz HTRXCWQJONWIHR-UHFFFAOYSA-N 1 0 244.338 2.338 20 30 BEEDRO C#CCCC[N@@H+]1CCCC[C@@H]1CN1CCCC1 ZINC001209265741 957372395 /nfs/dbraw/zinc/37/23/95/957372395.db2.gz HDZVIWQFVFDIHG-OAHLLOKOSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](Oc2ccncc2C)C1 ZINC001209268167 957374213 /nfs/dbraw/zinc/37/42/13/957374213.db2.gz VVTPEQPHNRZMGC-AWEZNQCLSA-N 1 0 244.338 2.257 20 30 BEEDRO COC1CCC(C[N@H+](C)CCC#N)CC1 ZINC001209394148 957412752 /nfs/dbraw/zinc/41/27/52/957412752.db2.gz VWGCPLGZTXLCNS-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(Cl)CN(CC)CCNC(=O)CCCC ZINC001266378357 957413326 /nfs/dbraw/zinc/41/33/26/957413326.db2.gz ZAVGZKNOFDVOOW-UHFFFAOYSA-N 1 0 246.782 2.367 20 30 BEEDRO C#Cc1cccnc1Nc1c[nH+]c(N)cc1C ZINC001209967465 957591023 /nfs/dbraw/zinc/59/10/23/957591023.db2.gz KOQVVUVDDNSJIO-UHFFFAOYSA-N 1 0 224.267 2.092 20 30 BEEDRO C[N@@H+]1CC[C@H](Nc2ccc(C#N)c3[nH]ccc32)C1 ZINC001167278618 957624086 /nfs/dbraw/zinc/62/40/86/957624086.db2.gz OFQPYUIOYFDHAB-NSHDSACASA-N 1 0 240.310 2.156 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC(C2CCC2)CC1 ZINC000693087435 957666962 /nfs/dbraw/zinc/66/69/62/957666962.db2.gz KEEAXWSUSQLWSW-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2c1OCC2)C(C)C ZINC000693090715 957667998 /nfs/dbraw/zinc/66/79/98/957667998.db2.gz JMQLUGFVZYLZMH-CQSZACIVSA-N 1 0 229.323 2.369 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693117665 957682140 /nfs/dbraw/zinc/68/21/40/957682140.db2.gz DQFMAEXGDURVAD-XQQFMLRXSA-N 1 0 223.360 2.434 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc2c1OCC2 ZINC000693120303 957685965 /nfs/dbraw/zinc/68/59/65/957685965.db2.gz AYONTZHRRXHSGA-UHFFFAOYSA-N 1 0 247.363 2.078 20 30 BEEDRO C[Si](C)(C)C#Cn1ccc2cc(C[NH3+])cnc21 ZINC001167311563 957732302 /nfs/dbraw/zinc/73/23/02/957732302.db2.gz QSCDPBGNDUZPEK-UHFFFAOYSA-N 1 0 243.386 2.181 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)[C@@H](C)C1CC1 ZINC001266558278 957822640 /nfs/dbraw/zinc/82/26/40/957822640.db2.gz KINYOJLQNYYCRS-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1[nH+]cc(Nc2ccccc2C#N)n1C ZINC001210738829 957856790 /nfs/dbraw/zinc/85/67/90/957856790.db2.gz BJYYLWJEYMELLE-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO N#Cc1ccccc1Nc1cc[nH+]c(CO)c1 ZINC001210737655 957857918 /nfs/dbraw/zinc/85/79/18/957857918.db2.gz LVWSTSOVOLEQET-UHFFFAOYSA-N 1 0 225.251 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C=C(C)C)C1 ZINC001266573950 957863579 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C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001266676118 958223181 /nfs/dbraw/zinc/22/31/81/958223181.db2.gz AEZJTEWCHLROIG-OKILXGFUSA-N 1 0 248.370 2.300 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000690064322 958291245 /nfs/dbraw/zinc/29/12/45/958291245.db2.gz BPRJFQNCWXVMIU-SWLSCSKDSA-N 1 0 245.322 2.218 20 30 BEEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@H](F)C2)cc1 ZINC000689827554 958341695 /nfs/dbraw/zinc/34/16/95/958341695.db2.gz NLRLZCDFJHRLEX-ZDUSSCGKSA-N 1 0 248.301 2.371 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC[NH2+]CCC(=C)C ZINC001266800307 958400589 /nfs/dbraw/zinc/40/05/89/958400589.db2.gz SFQIHTHFFKOKSG-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1oc(C)nc1C ZINC000723617204 958401711 /nfs/dbraw/zinc/40/17/11/958401711.db2.gz NOXGAAJPHCNVGP-LBPRGKRZSA-N 1 0 206.289 2.183 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H](C)C1 ZINC001266851588 958500914 /nfs/dbraw/zinc/50/09/14/958500914.db2.gz AAPSBAMUFOEKEP-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC1CC[NH+]([C@H](CCC)C(=O)OCC)CC1 ZINC000692359976 958674759 /nfs/dbraw/zinc/67/47/59/958674759.db2.gz XRYHYVJWWQLTRI-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)c1ccc(C)cc1C ZINC001266989808 958709329 /nfs/dbraw/zinc/70/93/29/958709329.db2.gz RKZIGPIHDDTPQU-CYBMUJFWSA-N 1 0 246.354 2.197 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)nc1)C[C@@H]1CC1(C)C ZINC001140545967 958845974 /nfs/dbraw/zinc/84/59/74/958845974.db2.gz RGBZSJWRDLPEMN-LBPRGKRZSA-N 1 0 229.327 2.431 20 30 BEEDRO COCC1([N@H+](C)Cc2ccc(C#N)s2)CC1 ZINC001327053164 972382653 /nfs/dbraw/zinc/38/26/53/972382653.db2.gz OPRCUNWBTIXFOI-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO CCCCCCCCN1CC2(C[NH2+]C2)C1 ZINC000707978196 958884636 /nfs/dbraw/zinc/88/46/36/958884636.db2.gz LRXRCAWMFRVTQB-UHFFFAOYSA-N 1 0 210.365 2.252 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)c1ccccc1C ZINC001267118983 958898889 /nfs/dbraw/zinc/89/88/89/958898889.db2.gz VLQTUZUMBVHBPU-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)/C=C\C(C)(C)C ZINC001267123067 958917808 /nfs/dbraw/zinc/91/78/08/958917808.db2.gz OMXGTHWCTQPGAO-ZVTBTPLYSA-N 1 0 238.375 2.259 20 30 BEEDRO N#Cc1c2ccccc2cnc1-n1cccc1C[NH3+] ZINC001167586946 958967450 /nfs/dbraw/zinc/96/74/50/958967450.db2.gz VQBRQJJJXYVSML-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO Cc1nc(-n2cccc2C[NH3+])c(C#N)c(C)c1C ZINC001167590317 958976676 /nfs/dbraw/zinc/97/66/76/958976676.db2.gz WUUGZEWBBYBRGQ-UHFFFAOYSA-N 1 0 240.310 2.128 20 30 BEEDRO CC(C)(C)c1cc(-n2cnc(C#N)c2N)cc[nH+]1 ZINC001213162353 958983688 /nfs/dbraw/zinc/98/36/88/958983688.db2.gz AFLTWZJGAMLSCV-UHFFFAOYSA-N 1 0 241.298 2.019 20 30 BEEDRO Cc1cc(-n2cccc2C[NH3+])ccc1CC#N ZINC001167592685 958984187 /nfs/dbraw/zinc/98/41/87/958984187.db2.gz AUWHSLFDDDIDQX-UHFFFAOYSA-N 1 0 225.295 2.311 20 30 BEEDRO C#CC(=O)Nc1ccc(C2CC[NH+](C)CC2)cc1 ZINC001143908545 972392199 /nfs/dbraw/zinc/39/21/99/972392199.db2.gz NIWBYVOOFXWQDP-UHFFFAOYSA-N 1 0 242.322 2.068 20 30 BEEDRO Cc1cccc(-n2cccc2C[NH3+])c1C#N ZINC001167593222 958992234 /nfs/dbraw/zinc/99/22/34/958992234.db2.gz NHBBLMCLCXFKFS-UHFFFAOYSA-N 1 0 211.268 2.116 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCC(CNC(C)=O)CC1 ZINC001222180460 972400043 /nfs/dbraw/zinc/40/00/43/972400043.db2.gz CYYFNAACGLRDKO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2nccc(C#N)n2)cc1 ZINC001204607064 959290839 /nfs/dbraw/zinc/29/08/39/959290839.db2.gz RUWYZPQGEZBNOF-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CNC(C)=O)c1ccccc1 ZINC001267345442 959487413 /nfs/dbraw/zinc/48/74/13/959487413.db2.gz FPVSIOCKOCOQPZ-HNNXBMFYSA-N 1 0 246.354 2.420 20 30 BEEDRO Cc1ncoc1C[NH+]1CCC(CC#N)CC1 ZINC000260232815 959640338 /nfs/dbraw/zinc/64/03/38/959640338.db2.gz WNLNPNDNRIKNGM-UHFFFAOYSA-N 1 0 219.288 2.109 20 30 BEEDRO C=CCC1(NC(=O)[C@@H]([NH3+])CC2CC2)CCCC1 ZINC000690770403 959651335 /nfs/dbraw/zinc/65/13/35/959651335.db2.gz DQNFVMFNQMVBPX-LBPRGKRZSA-N 1 0 236.359 2.119 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@](C)(CC)CCC ZINC001267447425 959657974 /nfs/dbraw/zinc/65/79/74/959657974.db2.gz RFQIGKIJPOPHDD-CQSZACIVSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@](C)(CC)CCC ZINC001267447424 959660176 /nfs/dbraw/zinc/66/01/76/959660176.db2.gz RFQIGKIJPOPHDD-AWEZNQCLSA-N 1 0 240.391 2.437 20 30 BEEDRO C#C[C@@H](OC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217862401 959682202 /nfs/dbraw/zinc/68/22/02/959682202.db2.gz OQOVUODNEGIHLY-DZGCQCFKSA-N 1 0 229.323 2.377 20 30 BEEDRO C=C[C@H](CCC)OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884737 959706980 /nfs/dbraw/zinc/70/69/80/959706980.db2.gz RUCYWGHNIXEHQS-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC1(C)C ZINC001125793259 959750162 /nfs/dbraw/zinc/75/01/62/959750162.db2.gz VZKCRAFGHJVKPW-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC1(C)C ZINC001125793263 959750544 /nfs/dbraw/zinc/75/05/44/959750544.db2.gz VZKCRAFGHJVKPW-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C1CCN(C(C)=O)CC1 ZINC001267480734 959759940 /nfs/dbraw/zinc/75/99/40/959759940.db2.gz QIDUCGSQIZYQLR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@H+](Cc1cncc(C#N)c1)C(C)C ZINC000721606986 959823907 /nfs/dbraw/zinc/82/39/07/959823907.db2.gz RAEQKKMZQARJPS-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)CC(C)C ZINC001480959016 959835674 /nfs/dbraw/zinc/83/56/74/959835674.db2.gz IBVCFOGLLULZTN-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC1([NH2+]Cc2cncnc2)CCCC1 ZINC000690789967 959837585 /nfs/dbraw/zinc/83/75/85/959837585.db2.gz LYGOOSADHQHLNM-UHFFFAOYSA-N 1 0 217.316 2.455 20 30 BEEDRO C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001481002619 959882426 /nfs/dbraw/zinc/88/24/26/959882426.db2.gz QXEJMQYFQNWACO-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](CNC(=O)C=C2CCC2)C1 ZINC001481087536 960028935 /nfs/dbraw/zinc/02/89/35/960028935.db2.gz XFWFDKUPOFGVFV-CQSZACIVSA-N 1 0 248.370 2.111 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@@H]1C[NH2+][C@H]1C ZINC001218389776 960034096 /nfs/dbraw/zinc/03/40/96/960034096.db2.gz ZJYKTINPAIWUEA-GXFFZTMASA-N 1 0 230.311 2.421 20 30 BEEDRO C=CC[C@@H](C)C(=O)Nc1c[nH+]ccc1N(C)C ZINC001144011538 972475144 /nfs/dbraw/zinc/47/51/44/972475144.db2.gz AFUXFAQNBWXVMK-SNVBAGLBSA-N 1 0 233.315 2.298 20 30 BEEDRO C=CC[C@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001144017817 972484458 /nfs/dbraw/zinc/48/44/58/972484458.db2.gz NGDLPPVMKGJYKQ-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C/C(C)=C/CC(=O)NCC1C[NH+](CC(=C)C)C1 ZINC001267687942 960203593 /nfs/dbraw/zinc/20/35/93/960203593.db2.gz SLGXXXIZSGDXAM-AWNIVKPZSA-N 1 0 248.370 2.133 20 30 BEEDRO CC(C)[C@@H](C)CNC(=[NH2+])N1CCCCC1 ZINC000178580825 960236793 /nfs/dbraw/zinc/23/67/93/960236793.db2.gz HHPDNIPKGXJOAZ-NSHDSACASA-N 1 0 211.353 2.079 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)[C@@H](C)C1CC1 ZINC001481218155 960246830 /nfs/dbraw/zinc/24/68/30/960246830.db2.gz LZOJCIGHLACKKT-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001267731261 960249611 /nfs/dbraw/zinc/24/96/11/960249611.db2.gz VNVWEKYQCUKUSV-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC(C)C)C1 ZINC001267755636 960298729 /nfs/dbraw/zinc/29/87/29/960298729.db2.gz MZGDXAKGRYFIID-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCCCCN1CC2(C[NH2+]C2)C1 ZINC001222461672 972498505 /nfs/dbraw/zinc/49/85/05/972498505.db2.gz YRCUQKQLYXXBHX-UHFFFAOYSA-N 1 0 208.349 2.028 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)CC1CC(C)(C)C1 ZINC001481269403 960374557 /nfs/dbraw/zinc/37/45/57/960374557.db2.gz FXVNTBSBSRRLJI-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1CC ZINC001267819839 960398342 /nfs/dbraw/zinc/39/83/42/960398342.db2.gz JCMABBDBEXNHGQ-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO N#C[C@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000695726412 960405867 /nfs/dbraw/zinc/40/58/67/960405867.db2.gz OICAJDKLRPJQGH-CQSZACIVSA-N 1 0 235.375 2.098 20 30 BEEDRO C=CC[NH2+]C[C@](C)(NC(=O)[C@@H](C)CC)C1CC1 ZINC001267848992 960435373 /nfs/dbraw/zinc/43/53/73/960435373.db2.gz LSXJJFXHODSPOT-FZMZJTMJSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H](CCCCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695776378 960452012 /nfs/dbraw/zinc/45/20/12/960452012.db2.gz DDJYELJOFIJLSQ-RYUDHWBXSA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695776380 960453622 /nfs/dbraw/zinc/45/36/22/960453622.db2.gz DDJYELJOFIJLSQ-VXGBXAGGSA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000695780498 960457507 /nfs/dbraw/zinc/45/75/07/960457507.db2.gz UOHUWTFINHDTFW-UTUOFQBUSA-N 1 0 224.348 2.472 20 30 BEEDRO Cc1ccc(C#N)c(-c2c[nH+]ccc2N)c1 ZINC001245604675 1169777961 /nfs/dbraw/zinc/77/79/61/1169777961.db2.gz GIDIIDJWRNJJTF-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO C=CC[NH2+]CCC1CCN(C(=O)CCC)CC1 ZINC001267903081 960487791 /nfs/dbraw/zinc/48/77/91/960487791.db2.gz XBVTVOMSTNVISF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 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238.375 2.189 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C(C)(C)C(=C)C ZINC001268575336 962006315 /nfs/dbraw/zinc/00/63/15/962006315.db2.gz XNUBMZXKIYBOOL-BQYQJAHWSA-N 1 0 236.359 2.037 20 30 BEEDRO C#CC1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000843427045 962008656 /nfs/dbraw/zinc/00/86/56/962008656.db2.gz SBMFFKBPZLFGJS-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000843427020 962009432 /nfs/dbraw/zinc/00/94/32/962009432.db2.gz RHABFFQJHYIDRX-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)C[NH2+]C(C)C ZINC001482130028 962049267 /nfs/dbraw/zinc/04/92/67/962049267.db2.gz NJVPBOZGTCMMCA-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2ccc(C#N)c(F)c2)C1 ZINC001225352594 962097104 /nfs/dbraw/zinc/09/71/04/962097104.db2.gz BDQRIIVVDGSJBS-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CCCCCC ZINC001149800579 962119873 /nfs/dbraw/zinc/11/98/73/962119873.db2.gz ZODGCPWRJJRHIL-UHFFFAOYSA-N 1 0 246.782 2.415 20 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/nfs/dbraw/zinc/11/37/26/963113726.db2.gz JUDGJESPGPFVJF-UHFFFAOYSA-N 1 0 246.354 2.249 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CC/C=C\CC ZINC001155586946 963116717 /nfs/dbraw/zinc/11/67/17/963116717.db2.gz QYDVQRFTLJHWKM-ALCCZGGFSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+][C@H](C)CCC=C ZINC001155586775 963117803 /nfs/dbraw/zinc/11/78/03/963117803.db2.gz KENDILYZXHJLME-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]C[C@H](C)CC ZINC001155586888 963118631 /nfs/dbraw/zinc/11/86/31/963118631.db2.gz OKTMDORWCORJPS-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C[C@@H](C)C(C)C ZINC001155626683 963120942 /nfs/dbraw/zinc/12/09/42/963120942.db2.gz DWDLCCATISSRET-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C#CCNc1cc2cc(OC)c(OC)cc2c[nH+]1 ZINC001155654468 963140120 /nfs/dbraw/zinc/14/01/20/963140120.db2.gz XEFZXBRMLKTANB-UHFFFAOYSA-N 1 0 242.278 2.297 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@@H](C)C(C)C ZINC001155657781 963143024 /nfs/dbraw/zinc/14/30/24/963143024.db2.gz ZOSUQMDFKRQIHN-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@H](C)C(C)C ZINC001155657782 963143756 /nfs/dbraw/zinc/14/37/56/963143756.db2.gz ZOSUQMDFKRQIHN-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CNc1cc(N(CC)CC)ncn1 ZINC001155660759 963145436 /nfs/dbraw/zinc/14/54/36/963145436.db2.gz KVYVYBBNTARPSS-UHFFFAOYSA-N 1 0 220.320 2.311 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)cc2F)CC1 ZINC000135511516 963155077 /nfs/dbraw/zinc/15/50/77/963155077.db2.gz KJUBVBKPDCVHFT-UHFFFAOYSA-N 1 0 204.248 2.339 20 30 BEEDRO C=CC[NH+]1CCC(C)(CNC(=O)C(C)C)CC1 ZINC001270859861 963192463 /nfs/dbraw/zinc/19/24/63/963192463.db2.gz ABBGNEZLSNCICT-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H]1CC ZINC001087503884 963195595 /nfs/dbraw/zinc/19/55/95/963195595.db2.gz DENBPPPFDBBKMO-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2c(O)cccc2C#N)C1 ZINC001226520282 963233028 /nfs/dbraw/zinc/23/30/28/963233028.db2.gz MAJISIXNOJPRNY-GFCCVEGCSA-N 1 0 246.310 2.127 20 30 BEEDRO CC[C@@H](CC#N)Nc1cccc(CC[NH3+])c1 ZINC001255160093 1169823121 /nfs/dbraw/zinc/82/31/21/1169823121.db2.gz FVBQKMNUDSBDPC-LBPRGKRZSA-N 1 0 217.316 2.292 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H]1CC ZINC001087538698 963326523 /nfs/dbraw/zinc/32/65/23/963326523.db2.gz FFVFRVSXYYPQGL-UONOGXRCSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@H]1CC1(C)C ZINC001156683971 963436551 /nfs/dbraw/zinc/43/65/51/963436551.db2.gz KBUYYWNWEVSVKN-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C(C)(C)C=C ZINC001156678524 963436861 /nfs/dbraw/zinc/43/68/61/963436861.db2.gz FROURCQLGQDOND-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO Cc1cc(Cl)nc(-n2cccc2C[NH3+])c1C#N ZINC001156723869 963445199 /nfs/dbraw/zinc/44/51/99/963445199.db2.gz LMJZHCLPJSMQIL-UHFFFAOYSA-N 1 0 246.701 2.165 20 30 BEEDRO N#Cc1cc(-n2cccc2C[NH3+])nc2ccccc12 ZINC001156731062 963447039 /nfs/dbraw/zinc/44/70/39/963447039.db2.gz XAYAZDNSZSLCDP-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)CCC ZINC001271239005 963494506 /nfs/dbraw/zinc/49/45/06/963494506.db2.gz UFSLUFFOCZRUAJ-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CCOC1CC[NH+](CCc2ccccc2)CC1 ZINC001205012327 963509428 /nfs/dbraw/zinc/50/94/28/963509428.db2.gz LUDOHIKXYNCACX-UHFFFAOYSA-N 1 0 243.350 2.343 20 30 BEEDRO C#CCO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC001205012826 963516334 /nfs/dbraw/zinc/51/63/34/963516334.db2.gz WEDJGZTZURKHND-ITGUQSILSA-N 1 0 207.317 2.040 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2cccc(Cl)c2C#N)C1 ZINC001204783213 963545785 /nfs/dbraw/zinc/54/57/85/963545785.db2.gz PMXSPTPQDVMJJR-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO Cc1cccc(N[C@@H](C)C[NH+](C)C)c1C#N ZINC000713973519 963567397 /nfs/dbraw/zinc/56/73/97/963567397.db2.gz VSIQOULKXGFJSY-NSHDSACASA-N 1 0 217.316 2.229 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CCO[C@H](C)C1 ZINC001168066259 963569527 /nfs/dbraw/zinc/56/95/27/963569527.db2.gz MGNRVZQHWHGFDK-NEPJUHHUSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC001168066261 963569595 /nfs/dbraw/zinc/56/95/95/963569595.db2.gz MGNRVZQHWHGFDK-RYUDHWBXSA-N 1 0 209.333 2.336 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@@H](C)C[NH+](C)C ZINC000714001709 963573086 /nfs/dbraw/zinc/57/30/86/963573086.db2.gz PWRJGIBFFSAHAK-NSHDSACASA-N 1 0 218.300 2.196 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2ccc(C#N)c(Cl)c2)C1 ZINC001204791175 963585826 /nfs/dbraw/zinc/58/58/26/963585826.db2.gz PCVQVHXCIYZXDQ-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCCCN(C(=O)CCC)C1 ZINC001088250737 963597415 /nfs/dbraw/zinc/59/74/15/963597415.db2.gz YLJGXYNYHIOGGM-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCNC(=[NH2+])NCCCCCCCC ZINC000303704717 963602569 /nfs/dbraw/zinc/60/25/69/963602569.db2.gz KLCYHCPNVOUTHK-UHFFFAOYSA-N 1 0 211.353 2.437 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCCN1C(=O)CCC ZINC001157432561 963606957 /nfs/dbraw/zinc/60/69/57/963606957.db2.gz ZJRAGQGOCSONKM-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC(=O)NC[C@@H]([NH2+]C(C)C)C(C)C ZINC001482521432 963629539 /nfs/dbraw/zinc/62/95/39/963629539.db2.gz GBSBEUGCWQYUCX-GFCCVEGCSA-N 1 0 226.364 2.091 20 30 BEEDRO C[C@@H](C#N)N(C)c1ccc(C[N@H+](C)C2CC2)cn1 ZINC001157491992 963638198 /nfs/dbraw/zinc/63/81/98/963638198.db2.gz ZZBAWUSSDVDJOA-NSHDSACASA-N 1 0 244.342 2.024 20 30 BEEDRO C=CCCC[NH2+][C@@H](CNC(=O)C1CC1)C(C)C ZINC001271800047 963639937 /nfs/dbraw/zinc/63/99/37/963639937.db2.gz PPZAHORMMUTLFT-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)/C=C(/C)CC ZINC001157539678 963654008 /nfs/dbraw/zinc/65/40/08/963654008.db2.gz MWJVQPUXVNCDIK-NTMALXAHSA-N 1 0 244.766 2.191 20 30 BEEDRO C[C@H]1C[C@@H]([NH+]2CCC(CC#N)CC2)CCO1 ZINC001168127885 963802775 /nfs/dbraw/zinc/80/27/75/963802775.db2.gz JTGGCUCYXYKTRO-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCO1 ZINC001168130133 963813473 /nfs/dbraw/zinc/81/34/73/963813473.db2.gz CPHBSOXJMSSRPE-QSLWVIQJSA-N 1 0 234.343 2.320 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)C=C1CCC1 ZINC001482587920 963859075 /nfs/dbraw/zinc/85/90/75/963859075.db2.gz DUACNJDSZXWHBM-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1C ZINC001088501342 963871803 /nfs/dbraw/zinc/87/18/03/963871803.db2.gz TTWIUSFOAIJIGM-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO Cc1c[nH+]c(NC=CC(=O)C(F)(F)F)cc1N ZINC001158557984 963887196 /nfs/dbraw/zinc/88/71/96/963887196.db2.gz OKTZSHQZVOIOJT-NSCUHMNNSA-N 1 0 245.204 2.029 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(OC)cc[nH+]1 ZINC001158738258 963911591 /nfs/dbraw/zinc/91/15/91/963911591.db2.gz ZHFNQIXPCSFXOM-LBPRGKRZSA-N 1 0 204.273 2.304 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(N)c(C)c[nH+]1 ZINC001158743387 963913143 /nfs/dbraw/zinc/91/31/43/963913143.db2.gz VCGPPTSOJOAKGC-GFCCVEGCSA-N 1 0 203.289 2.186 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@]1(C)CC=CCC1 ZINC001158761031 963916735 /nfs/dbraw/zinc/91/67/35/963916735.db2.gz DRAQFZPICVYIFN-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C(C)(C)C(C)C ZINC001158828183 963935211 /nfs/dbraw/zinc/93/52/11/963935211.db2.gz SKKVRZSNAKSOTG-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO CC1(C)CC(=O)C=C(Nc2cc(N)cc[nH+]2)C1 ZINC001158950589 963966353 /nfs/dbraw/zinc/96/63/53/963966353.db2.gz PCOKIFBCQFTRMD-UHFFFAOYSA-N 1 0 231.299 2.349 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+]C1CCC(C)CC1 ZINC001168201376 963969365 /nfs/dbraw/zinc/96/93/65/963969365.db2.gz SIFHGINBTFJDFT-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCC[N@H+]1CC=C(CCNC(C)=O)CC1 ZINC001159023322 963976366 /nfs/dbraw/zinc/97/63/66/963976366.db2.gz ZCSWPWGQZPOXOR-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]C[C@@H](C)CC ZINC001159021737 963977581 /nfs/dbraw/zinc/97/75/81/963977581.db2.gz ZUBKWTQNLCRTST-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO Cc1nc2c(c(NCC(C)(C)S)n1)CCC2 ZINC001159267901 964041181 /nfs/dbraw/zinc/04/11/81/964041181.db2.gz KUXFFMPXUGVIJK-UHFFFAOYSA-N 1 0 237.372 2.394 20 30 BEEDRO COc1cccnc1NCC(C)(C)S ZINC001159266749 964045381 /nfs/dbraw/zinc/04/53/81/964045381.db2.gz RANQMSVYLWMXPQ-UHFFFAOYSA-N 1 0 212.318 2.211 20 30 BEEDRO CCN(C)c1ccnc(NCC(C)(C)S)n1 ZINC001159264187 964045717 /nfs/dbraw/zinc/04/57/17/964045717.db2.gz QEPWEDHFGCCOJX-UHFFFAOYSA-N 1 0 240.376 2.053 20 30 BEEDRO Cc1c[nH]c2ncnc(NCC(C)(C)S)c12 ZINC001159264524 964045774 /nfs/dbraw/zinc/04/57/74/964045774.db2.gz YWYKMNRUOZLKCX-UHFFFAOYSA-N 1 0 236.344 2.387 20 30 BEEDRO Cc1c[nH+]c(NCC#Cc2ccccc2)cc1N ZINC001159375730 964071982 /nfs/dbraw/zinc/07/19/82/964071982.db2.gz HXRVMLRYXLOQDT-UHFFFAOYSA-N 1 0 237.306 2.436 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000302580578 964122958 /nfs/dbraw/zinc/12/29/58/964122958.db2.gz FCXJKJFVKXLITG-IJLUTSLNSA-N 1 0 238.331 2.000 20 30 BEEDRO C#Cc1cc(NC=C2CC[NH2+]CC2)ccc1F ZINC001159585533 964124821 /nfs/dbraw/zinc/12/48/21/964124821.db2.gz XEVSYGNDVXWGIA-UHFFFAOYSA-N 1 0 230.286 2.486 20 30 BEEDRO C[C@@H]([NH3+])CCNc1nccc2ccc(C#N)cc21 ZINC001159774537 964191670 /nfs/dbraw/zinc/19/16/70/964191670.db2.gz BNOJHQCRFUEFCA-SNVBAGLBSA-N 1 0 240.310 2.256 20 30 BEEDRO C=C(Cl)C[NH2+]CCN(CC)C(=O)CCCC ZINC001482909662 964235680 /nfs/dbraw/zinc/23/56/80/964235680.db2.gz ATRNSTHITVZJID-UHFFFAOYSA-N 1 0 246.782 2.367 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)/C=C/C(C)(C)C ZINC001482913908 964239374 /nfs/dbraw/zinc/23/93/74/964239374.db2.gz FYJVMQYMWFPMDA-CMDGGOBGSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCC[NH2+]CCN(CC)C(=O)C=C1CCC1 ZINC001482916940 964240069 /nfs/dbraw/zinc/24/00/69/964240069.db2.gz HTNMGHBOHPKOLI-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO Cc1ccc(CC#N)c(NC[C@H]2CCCC[NH2+]2)n1 ZINC001160150357 964259339 /nfs/dbraw/zinc/25/93/39/964259339.db2.gz IGKVSPPKNMHAAN-CYBMUJFWSA-N 1 0 244.342 2.010 20 30 BEEDRO Cc1ccc(CC#N)c(NC[C@@H]2CCCC[NH2+]2)n1 ZINC001160150359 964260417 /nfs/dbraw/zinc/26/04/17/964260417.db2.gz IGKVSPPKNMHAAN-ZDUSSCGKSA-N 1 0 244.342 2.010 20 30 BEEDRO C=CCC[NH2+]C/C=C\CNC(=O)c1ccoc1C ZINC001482983040 964275709 /nfs/dbraw/zinc/27/57/09/964275709.db2.gz VIMAXQKZTWSNOZ-WAYWQWQTSA-N 1 0 248.326 2.040 20 30 BEEDRO C=CCC[NH2+]C/C=C/CNC(=O)c1ccoc1C ZINC001482983039 964276806 /nfs/dbraw/zinc/27/68/06/964276806.db2.gz VIMAXQKZTWSNOZ-AATRIKPKSA-N 1 0 248.326 2.040 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)c1coc(C)c1 ZINC001483001407 964296152 /nfs/dbraw/zinc/29/61/52/964296152.db2.gz CUYFLAXRVOMLMY-PLNGDYQASA-N 1 0 248.326 2.040 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)/C=C(\C)CC ZINC001126770558 964313906 /nfs/dbraw/zinc/31/39/06/964313906.db2.gz MFANHPHZDMJGJR-VAWYXSNFSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1Cc2ccc(OC)cc2C1 ZINC001168281292 964333173 /nfs/dbraw/zinc/33/31/73/964333173.db2.gz ZVLWMHXPRXNSEK-ZDUSSCGKSA-N 1 0 217.312 2.280 20 30 BEEDRO C=C(C)C(=O)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001142512222 964346952 /nfs/dbraw/zinc/34/69/52/964346952.db2.gz OPPBRQPMRRTVMC-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[C@H]([NH3+])[C@@H](C)CC ZINC001160689564 964389882 /nfs/dbraw/zinc/38/98/82/964389882.db2.gz OSDNHVUHBPHDEZ-RYUDHWBXSA-N 1 0 226.364 2.175 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)C1CCC1 ZINC001160778354 964409449 /nfs/dbraw/zinc/40/94/49/964409449.db2.gz HOTSRUFAYUVBJE-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)N(CCC)CCC ZINC001160861544 964423420 /nfs/dbraw/zinc/42/34/20/964423420.db2.gz UINQIUHNUFROAL-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO Cc1cc(N[C@@H](C[NH3+])C(C)(C)C)ncc1C#N ZINC001160913574 964441152 /nfs/dbraw/zinc/44/11/52/964441152.db2.gz SICAHRCFEGQXRH-NSHDSACASA-N 1 0 232.331 2.047 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]1CNc1ncccc1C#N ZINC001160952864 964456107 /nfs/dbraw/zinc/45/61/07/964456107.db2.gz FYSYUXZHTDAVSN-ZDUSSCGKSA-N 1 0 242.326 2.016 20 30 BEEDRO CC[C@H](CC#N)Nc1cc(N)c(C)c[nH+]1 ZINC001161053191 964507287 /nfs/dbraw/zinc/50/72/87/964507287.db2.gz VONSZZVBBPPRTB-SECBINFHSA-N 1 0 204.277 2.076 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC ZINC001272226484 964531965 /nfs/dbraw/zinc/53/19/65/964531965.db2.gz RRLFFCQPPRYQQK-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[C@](C)(C#N)NC1CC[NH+](CC2CC2)CC1 ZINC001168359618 964547689 /nfs/dbraw/zinc/54/76/89/964547689.db2.gz CVTMGVAPSFDROE-CQSZACIVSA-N 1 0 235.375 2.143 20 30 BEEDRO CC#CCO[C@H]1CCN2Cc3ccccc3[NH+]=C12 ZINC001224357883 964568368 /nfs/dbraw/zinc/56/83/68/964568368.db2.gz AFWKLEVVRDXSEF-AWEZNQCLSA-N 1 0 240.306 2.344 20 30 BEEDRO C[C@H](CCNCc1ccc(C#N)c(F)c1)[NH+](C)C ZINC000697877739 964604077 /nfs/dbraw/zinc/60/40/77/964604077.db2.gz OHWOJRYFYNSCQD-LLVKDONJSA-N 1 0 249.333 2.127 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000697883587 964607279 /nfs/dbraw/zinc/60/72/79/964607279.db2.gz UITXZIXWTFHEFN-ILWJIGKKSA-N 1 0 233.340 2.150 20 30 BEEDRO C[NH+](C)CCNc1ncc2ccccc2c1C#N ZINC001161666749 964674523 /nfs/dbraw/zinc/67/45/23/964674523.db2.gz YHRZAFVSYNJCLW-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C[C@H](CCNCc1ccc(C#N)s1)[NH+](C)C ZINC000697911211 964676355 /nfs/dbraw/zinc/67/63/55/964676355.db2.gz YGTFBBNUNWCCLU-SNVBAGLBSA-N 1 0 237.372 2.050 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)CC ZINC001483122403 964696578 /nfs/dbraw/zinc/69/65/78/964696578.db2.gz GCNTXLHHLGOHAF-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C[n+]1cccc(N[C@@H](C#N)c2ccccc2)c1 ZINC001161726116 964714990 /nfs/dbraw/zinc/71/49/90/964714990.db2.gz VILRIKXVLGKDHQ-AWEZNQCLSA-N 1 0 224.287 2.188 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)/C(C)=C/CC ZINC001483212491 964837151 /nfs/dbraw/zinc/83/71/51/964837151.db2.gz UWWSRQYNRLNRMO-VNKGSWCUSA-N 1 0 224.348 2.013 20 30 BEEDRO COc1ccc(C[NH2+]C2CCC(C#N)CC2)nc1 ZINC001256958761 1169850642 /nfs/dbraw/zinc/85/06/42/1169850642.db2.gz OCAOWERZUVUDBQ-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@]3(CCCO3)C2)CC1 ZINC001256963204 1169851235 /nfs/dbraw/zinc/85/12/35/1169851235.db2.gz CZKCMODAHMXXME-RUXDESIVSA-N 1 0 234.343 2.324 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cccc(C)n1 ZINC000161144483 964875925 /nfs/dbraw/zinc/87/59/25/964875925.db2.gz HPRWILWGTHFXHG-UHFFFAOYSA-N 1 0 202.301 2.235 20 30 BEEDRO Cc1ccc(NC2C[NH+](C(C)(C)C)C2)nc1C#N ZINC001162221955 964880759 /nfs/dbraw/zinc/88/07/59/964880759.db2.gz XAYBKHDAWYXBCN-UHFFFAOYSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1cccc2c1[nH+]c(N)n2-c1ccncc1C#N ZINC001214002509 964920967 /nfs/dbraw/zinc/92/09/67/964920967.db2.gz RVSPZWWGSJNRFD-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO Cc1ccnc(N[C@@]2(C)CCC[N@@H+](C)C2)c1C#N ZINC001162340243 964936779 /nfs/dbraw/zinc/93/67/79/964936779.db2.gz BOSLRHRJUVPTIF-AWEZNQCLSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1cc(N[C@@]2(C)CCC[N@@H+](C)C2)ncc1C#N ZINC001162341515 964939041 /nfs/dbraw/zinc/93/90/41/964939041.db2.gz MJIQRCGWBDHNNI-AWEZNQCLSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C1(CC)CC1 ZINC001507121973 964953659 /nfs/dbraw/zinc/95/36/59/964953659.db2.gz MQSMCLILGSWPMI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC1(CNc2ccc3[nH]c(N)[nH+]c3c2)CCC1 ZINC001162411914 964969043 /nfs/dbraw/zinc/96/90/43/964969043.db2.gz GVAMKZYWVUSECH-UHFFFAOYSA-N 1 0 241.298 2.251 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)/C(C)=C\C ZINC001483327555 964975097 /nfs/dbraw/zinc/97/50/97/964975097.db2.gz KZJCKNACBVURKP-FFXRNRBCSA-N 1 0 238.375 2.355 20 30 BEEDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc(C#N)ccn1 ZINC001162453945 964985581 /nfs/dbraw/zinc/98/55/81/964985581.db2.gz MWARSUUATIYSSK-DGCLKSJQSA-N 1 0 244.342 2.001 20 30 BEEDRO C[N@@H+]1CCC[C@H]1COC1CCC(C#N)CC1 ZINC001224817871 964986954 /nfs/dbraw/zinc/98/69/54/964986954.db2.gz CVXHOMVYQGRGDH-CPCZMJQVSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CC1(C)CC1 ZINC001483364161 964990366 /nfs/dbraw/zinc/99/03/66/964990366.db2.gz OLDUIILSQKNRKY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C1CCCCC1 ZINC001483450894 965014901 /nfs/dbraw/zinc/01/49/01/965014901.db2.gz PFSLRBDXRCALFG-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(C)(C)C(=[NH2+])Nc1cc2nc[nH]c2c(C#N)n1 ZINC001162657471 965092979 /nfs/dbraw/zinc/09/29/79/965092979.db2.gz LNZVGXYVDZTRFR-UHFFFAOYSA-N 1 0 242.286 2.265 20 30 BEEDRO CC(C)(C)C(=[NH2+])Nc1cnc(C#N)c([N+](=O)[O-])c1 ZINC001162661679 965100287 /nfs/dbraw/zinc/10/02/87/965100287.db2.gz ZDHCZFLTDJWYIC-UHFFFAOYSA-N 1 0 247.258 2.297 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OCC[NH+](CC)CC ZINC001224928868 965103685 /nfs/dbraw/zinc/10/36/85/965103685.db2.gz XHZXOMNRHYLUID-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1cccc(CC#N)c1F ZINC001162672627 965106309 /nfs/dbraw/zinc/10/63/09/965106309.db2.gz AYENMZUXXSCLHK-MWLCHTKSSA-N 1 0 233.290 2.054 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(OCCC#N)cc1 ZINC001162676191 965109463 /nfs/dbraw/zinc/10/94/63/965109463.db2.gz KZTWCEYBRPNHMD-BXUZGUMPSA-N 1 0 245.326 2.141 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(CS)cc1 ZINC001162676560 965110255 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/nfs/dbraw/zinc/72/00/86/965720086.db2.gz JWBZWOKGRXXLMZ-UHFFFAOYSA-N 1 0 248.370 2.159 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1CCC1(C)C ZINC001164354751 965855025 /nfs/dbraw/zinc/85/50/25/965855025.db2.gz QFDVAKDWTWAHOW-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[NH2+]CCC ZINC001164366263 965859171 /nfs/dbraw/zinc/85/91/71/965859171.db2.gz LDMBGWZVBBEYHJ-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C(C)(C)C1CC1 ZINC001164367377 965862584 /nfs/dbraw/zinc/86/25/84/965862584.db2.gz ZHEZZVBJADVOKI-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000699439709 965871193 /nfs/dbraw/zinc/87/11/93/965871193.db2.gz SUPLFUNIPSXUFZ-RISCZKNCSA-N 1 0 248.301 2.212 20 30 BEEDRO CCCCN(CC#N)c1cc(C[NH+](C)C)ccn1 ZINC001165159062 965977590 /nfs/dbraw/zinc/97/75/90/965977590.db2.gz BRQGUGFYWSBDLE-UHFFFAOYSA-N 1 0 246.358 2.273 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]CCCCC(C)(C)C#N ZINC000699740981 966051447 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/nfs/dbraw/zinc/13/03/35/966130335.db2.gz SUXYYCUHYFMPNV-UHFFFAOYSA-N 1 0 244.766 2.191 20 30 BEEDRO C/C=C(\NC=[NH2+])NC(C)(C)c1ccc(C#N)cc1 ZINC001165734661 966147628 /nfs/dbraw/zinc/14/76/28/966147628.db2.gz MZQLVAXYQKXGHM-YIXHJXPBSA-N 1 0 242.326 2.441 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C1(C)CC=CC1 ZINC001165855430 966172219 /nfs/dbraw/zinc/17/22/19/966172219.db2.gz XAHKURYDSPDFHT-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CCCC)C1 ZINC001265286606 1169886598 /nfs/dbraw/zinc/88/65/98/1169886598.db2.gz YHMYKHZDEOGDAW-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C1CCC(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC001165913916 966199315 /nfs/dbraw/zinc/19/93/15/966199315.db2.gz OHCSKDQCZFYJRE-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)[C@@H](C)CC ZINC001123739838 966252804 /nfs/dbraw/zinc/25/28/04/966252804.db2.gz ZRSUXTBWELUOOS-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]1CCC ZINC001166204077 966254573 /nfs/dbraw/zinc/25/45/73/966254573.db2.gz RTDWWYOVUHKYDH-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1CCC ZINC001166209411 966259991 /nfs/dbraw/zinc/25/99/91/966259991.db2.gz PBYNJTASMDCAFQ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCCN(C)[C@]1(C)CCC[NH2+]C1 ZINC001236201305 966307941 /nfs/dbraw/zinc/30/79/41/966307941.db2.gz LQERVAVEAGXOQI-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](CC)CCCC ZINC001123962711 966328268 /nfs/dbraw/zinc/32/82/68/966328268.db2.gz HVLXPDMTMKPCLR-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)CC ZINC001483920570 966398374 /nfs/dbraw/zinc/39/83/74/966398374.db2.gz SCNPGFPTFIFADF-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H](OCC[NH+]1CCCCC1)c1ccncc1 ZINC001206718360 966411687 /nfs/dbraw/zinc/41/16/87/966411687.db2.gz OXMLWDAJFFGGOX-HNNXBMFYSA-N 1 0 244.338 2.258 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)/C=C(/C)C1CC1 ZINC001124224188 966462851 /nfs/dbraw/zinc/46/28/51/966462851.db2.gz NRMZXTMBCMWWQF-BENRWUELSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccccc1CNC(C)=O ZINC001484554380 966486420 /nfs/dbraw/zinc/48/64/20/966486420.db2.gz ZUKMVRMBVWXKHS-UHFFFAOYSA-N 1 0 246.354 2.331 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)CCC ZINC001484735913 966512345 /nfs/dbraw/zinc/51/23/45/966512345.db2.gz FERGAJMJXIGEAV-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(C)CCC(=O)N(C)CCC[N@@H+](C)CC ZINC001484744315 966514144 /nfs/dbraw/zinc/51/41/44/966514144.db2.gz HZLQWDJPZJPMRT-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2ccc(C#N)cn2)c1 ZINC001167033250 966525848 /nfs/dbraw/zinc/52/58/48/966525848.db2.gz QNMGBFQCSIZOCC-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C=CCCCC(=O)NC1CC(C[NH2+]CCC)C1 ZINC001485101505 966540171 /nfs/dbraw/zinc/54/01/71/966540171.db2.gz UAHHQMKKIFKTRA-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCOCCC[NH2+]Cc1sc(C)nc1C ZINC000691804939 966544391 /nfs/dbraw/zinc/54/43/91/966544391.db2.gz IHOQTZQNSQGTKM-UHFFFAOYSA-N 1 0 240.372 2.442 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC(=C)C ZINC001485153165 966555859 /nfs/dbraw/zinc/55/58/59/966555859.db2.gz PQVJMQBRXRKNNM-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C/C=C(\C)C=C ZINC001485180708 966558747 /nfs/dbraw/zinc/55/87/47/966558747.db2.gz GBSLPLLWFRJWQQ-GTMNMCRUSA-N 1 0 236.359 2.178 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C/C=C(/C)C=C ZINC001485180706 966558898 /nfs/dbraw/zinc/55/88/98/966558898.db2.gz GBSLPLLWFRJWQQ-ASDJVNKTSA-N 1 0 236.359 2.178 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001485357826 966593945 /nfs/dbraw/zinc/59/39/45/966593945.db2.gz UVUZNDORVJZWNH-OLZOCXBDSA-N 1 0 240.391 2.291 20 30 BEEDRO CCc1cc(C#N)ccc1CN(C)C[C@@H]([NH3+])CC ZINC001236884184 966606462 /nfs/dbraw/zinc/60/64/62/966606462.db2.gz NKJFNPBTIAFZRV-HNNXBMFYSA-N 1 0 245.370 2.290 20 30 BEEDRO C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CCC ZINC001485473146 966607127 /nfs/dbraw/zinc/60/71/27/966607127.db2.gz QPGMLHBEKMNJGU-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)C)C1 ZINC001485533947 966615140 /nfs/dbraw/zinc/61/51/40/966615140.db2.gz UNHHQAVKXUFYSD-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C(C)(F)F ZINC001485713177 966627408 /nfs/dbraw/zinc/62/74/08/966627408.db2.gz JKSNUPLBRZQRPU-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)C1CC1 ZINC001485716663 966630287 /nfs/dbraw/zinc/63/02/87/966630287.db2.gz ASKVXDGTFKQZBS-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C=C/c1ccc(F)cc1 ZINC001203536369 966672717 /nfs/dbraw/zinc/67/27/17/966672717.db2.gz PYKMPLSGZCTJTF-MBVDDHJVSA-N 1 0 247.313 2.203 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2O)C1 ZINC001203629166 966717312 /nfs/dbraw/zinc/71/73/12/966717312.db2.gz RMKDNTILZMQZJC-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C1CC=CC1 ZINC001125147509 966741003 /nfs/dbraw/zinc/74/10/03/966741003.db2.gz WHROBMOMWICOQW-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCC[C@H]1O ZINC001203758005 966770332 /nfs/dbraw/zinc/77/03/32/966770332.db2.gz YKXZUKVARPQVAV-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO CCc1cc(C[N@@H+]2CC[C@@](C)(O)C2)ccc1C#N ZINC001238759833 966782366 /nfs/dbraw/zinc/78/23/66/966782366.db2.gz ADELJEMQOAPQRR-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO Oc1cccc(C[NH+]2CCC(S)CC2)c1 ZINC001203862279 966799066 /nfs/dbraw/zinc/79/90/66/966799066.db2.gz FMWSAUGOUHPBDP-UHFFFAOYSA-N 1 0 223.341 2.286 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC3(COC3)CC2)cc1 ZINC001203900609 966817301 /nfs/dbraw/zinc/81/73/01/966817301.db2.gz PGFFFPKOYVPUNQ-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCCN2C)cc1 ZINC001203935022 966825042 /nfs/dbraw/zinc/82/50/42/966825042.db2.gz KRSCVBUAZGHNBQ-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001204027636 966858080 /nfs/dbraw/zinc/85/80/80/966858080.db2.gz KSJIXSLBQLRGLT-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CCC1(Nc2ccccc2CS)C[NH2+]C1 ZINC001168582155 966921152 /nfs/dbraw/zinc/92/11/52/966921152.db2.gz JGUYLIYPWVGFIV-UHFFFAOYSA-N 1 0 222.357 2.280 20 30 BEEDRO CCC1(Nc2ccc3c(C#N)c[nH]c3c2)C[NH2+]C1 ZINC001168582643 966923258 /nfs/dbraw/zinc/92/32/58/966923258.db2.gz VDPIDZQUCUYGRJ-UHFFFAOYSA-N 1 0 240.310 2.203 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)CC[NH2+]CCC ZINC001272804570 966946049 /nfs/dbraw/zinc/94/60/49/966946049.db2.gz ZWFSOQZEUKDUNQ-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001204368693 966979962 /nfs/dbraw/zinc/97/99/62/966979962.db2.gz TWRKWYMJLCDFIZ-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CC[C@]1(C)O ZINC001204368726 966980262 /nfs/dbraw/zinc/98/02/62/966980262.db2.gz VIUDBIAFDKGWKL-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@]1(C)O ZINC001204368729 966981317 /nfs/dbraw/zinc/98/13/17/966981317.db2.gz VIUDBIAFDKGWKL-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1ccccc1CN1CCC[C@]2(CCO2)C1 ZINC001204371992 966985441 /nfs/dbraw/zinc/98/54/41/966985441.db2.gz UEBSHIQDPLNEDV-HNNXBMFYSA-N 1 0 242.322 2.313 20 30 BEEDRO C=C(C)C[NH2+]CC1CCN(C(=O)C(C)C)CC1 ZINC001204509582 967015035 /nfs/dbraw/zinc/01/50/35/967015035.db2.gz XKKVKAFPTRXCNO-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[NH2+]CC(=C)C ZINC001128084909 967155629 /nfs/dbraw/zinc/15/56/29/967155629.db2.gz FVNNGNYMBJLXEO-UHFFFAOYSA-N 1 0 236.359 2.037 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[NH2+]CCCC ZINC001128088223 967163981 /nfs/dbraw/zinc/16/39/81/967163981.db2.gz RAOMOPIAYDDLNI-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@]1(C)CC=CCC1 ZINC001128122463 967225068 /nfs/dbraw/zinc/22/50/68/967225068.db2.gz PKAGZRMYFDIOLN-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@]1(C)CC=CCC1 ZINC001128122464 967225557 /nfs/dbraw/zinc/22/55/57/967225557.db2.gz PKAGZRMYFDIOLN-CQSZACIVSA-N 1 0 236.359 2.015 20 30 BEEDRO C#CCC[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000921742394 967242969 /nfs/dbraw/zinc/24/29/69/967242969.db2.gz LQTVHVLVVZUKRQ-UHFFFAOYSA-N 1 0 231.343 2.191 20 30 BEEDRO C=CC[N@@H+](CCOC)C1CC(OC(C)(C)C)C1 ZINC000361645078 967243022 /nfs/dbraw/zinc/24/30/22/967243022.db2.gz BZQVOJGKDQBILU-UHFFFAOYSA-N 1 0 241.375 2.467 20 30 BEEDRO C=CCO[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001205037918 967244927 /nfs/dbraw/zinc/24/49/27/967244927.db2.gz WAUBCJKXKLNAJT-OAHLLOKOSA-N 1 0 247.338 2.090 20 30 BEEDRO C=C(Cl)C[NH2+]CCCC[C@@H](C)NC(=O)CC ZINC001168669427 967260350 /nfs/dbraw/zinc/26/03/50/967260350.db2.gz MLEJCSYPEFAFMV-LLVKDONJSA-N 1 0 246.782 2.414 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CC(C)C ZINC001485842073 967303463 /nfs/dbraw/zinc/30/34/63/967303463.db2.gz KASANVKLSMDKRH-LLVKDONJSA-N 1 0 246.782 2.222 20 30 BEEDRO C[N@@H+]1CCC=C(Cc2cccc(C#N)c2)C1 ZINC001250050377 967310361 /nfs/dbraw/zinc/31/03/61/967310361.db2.gz RUZFQJPDPUYTSM-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC001205137514 967383949 /nfs/dbraw/zinc/38/39/49/967383949.db2.gz ZDHBAJLFQGUCDQ-AWEZNQCLSA-N 1 0 228.339 2.332 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(Cl)c(C#N)c1 ZINC001205201394 967425884 /nfs/dbraw/zinc/42/58/84/967425884.db2.gz FEQVCNMBPRYHTR-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO C=CC(N[C@@H](C)CCCC(C)(C)O)=[NH+]COC ZINC001168699217 967446737 /nfs/dbraw/zinc/44/67/37/967446737.db2.gz RJUSLWIVKBKMMC-NSHDSACASA-N 1 0 242.363 2.094 20 30 BEEDRO C[C@@]1([NH3+])CCCN(Cc2ccc(C#N)s2)CC1 ZINC001205280855 967472903 /nfs/dbraw/zinc/47/29/03/967472903.db2.gz KIYHGNIWIAGXRJ-CYBMUJFWSA-N 1 0 249.383 2.323 20 30 BEEDRO CN1CC[NH+](CCCC2=CC[C@@H](C#N)CC2)CC1 ZINC001250231664 967540091 /nfs/dbraw/zinc/54/00/91/967540091.db2.gz VHVDZFFHMPABOY-OAHLLOKOSA-N 1 0 247.386 2.264 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001128408699 967544810 /nfs/dbraw/zinc/54/48/10/967544810.db2.gz AWQWDYFOLSALDR-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CCC(=C)C ZINC001128409121 967547159 /nfs/dbraw/zinc/54/71/59/967547159.db2.gz UIKWWZSXKXQKLJ-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CCC(C)C ZINC001128417537 967551207 /nfs/dbraw/zinc/55/12/07/967551207.db2.gz AKPMDGZSGHLXQW-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]CCCC[C@H](C)NC(=O)C1CC1 ZINC001168710578 967591010 /nfs/dbraw/zinc/59/10/10/967591010.db2.gz DGQOWWIKXJIENO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[N@@H+]1CCC[C@H](OCc2ccccc2C#N)C1 ZINC001205579907 967702157 /nfs/dbraw/zinc/70/21/57/967702157.db2.gz RIPKYUYZDJHLTM-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO Cc1nc(C#N)c(Nc2ccc3c[nH+]cn3c2)o1 ZINC001250326870 967709866 /nfs/dbraw/zinc/70/98/66/967709866.db2.gz BANFLPCEEGVVME-UHFFFAOYSA-N 1 0 239.238 2.246 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(O)CCCC1 ZINC000695814394 967813908 /nfs/dbraw/zinc/81/39/08/967813908.db2.gz YRVVAPUGFCTKTJ-LLVKDONJSA-N 1 0 224.348 2.209 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)CC(C)(C)C#N ZINC000694447158 967835912 /nfs/dbraw/zinc/83/59/12/967835912.db2.gz QWLGYIWJJBSNLA-UMNHJUIQSA-N 1 0 210.321 2.082 20 30 BEEDRO C#CCCCNc1cnccc1/C=C/[NH+](C)C ZINC001162446991 967839492 /nfs/dbraw/zinc/83/94/92/967839492.db2.gz XRFOYSMYJLCYJW-DHZHZOJOSA-N 1 0 229.327 2.439 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC000163624014 967879086 /nfs/dbraw/zinc/87/90/86/967879086.db2.gz UKRNLYYYMIKRNK-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703891090 967882113 /nfs/dbraw/zinc/88/21/13/967882113.db2.gz GHVCHUFRYUMYRJ-UHFFFAOYSA-N 1 0 226.707 2.027 20 30 BEEDRO C=CCN1CC[C@]2(CCC[N@@H+]2CCC2CC2)C1=O ZINC001273164161 968022406 /nfs/dbraw/zinc/02/24/06/968022406.db2.gz ROWRHGOONXQLDW-OAHLLOKOSA-N 1 0 248.370 2.039 20 30 BEEDRO C#CCNc1cc(C[NH+]2CCCCC2)ccn1 ZINC001163363103 968025680 /nfs/dbraw/zinc/02/56/80/968025680.db2.gz FZBMRAXZDZESFW-UHFFFAOYSA-N 1 0 229.327 2.113 20 30 BEEDRO C#CCNc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001163367042 968027047 /nfs/dbraw/zinc/02/70/47/968027047.db2.gz NFFFHVIZSREGHF-CYBMUJFWSA-N 1 0 200.285 2.156 20 30 BEEDRO COC(=O)C1(C)CCC([NH2+]CCCS)CC1 ZINC001168763818 968092266 /nfs/dbraw/zinc/09/22/66/968092266.db2.gz HJBRUVDXUGOGEZ-UHFFFAOYSA-N 1 0 245.388 2.018 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001206220704 968149907 /nfs/dbraw/zinc/14/99/07/968149907.db2.gz CMTPOIJFZDCDMH-SNVBAGLBSA-N 1 0 236.281 2.308 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OCC[NH+]1CCCC1 ZINC001206308992 968215279 /nfs/dbraw/zinc/21/52/79/968215279.db2.gz JCGNFEZINMIAGA-CYBMUJFWSA-N 1 0 239.435 2.368 20 30 BEEDRO CC(C)[C@H](C#N)c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164286544 968215776 /nfs/dbraw/zinc/21/57/76/968215776.db2.gz RMRRPHNBICNZOE-ZFWWWQNUSA-N 1 0 243.354 2.487 20 30 BEEDRO N#Cc1nc(Cl)ccc1Nc1cc[nH+]c(N)c1 ZINC001206522672 968356192 /nfs/dbraw/zinc/35/61/92/968356192.db2.gz UGVVQROFSUZYPJ-UHFFFAOYSA-N 1 0 245.673 2.327 20 30 BEEDRO Cc1ccc2[nH+]c(N)n(-c3ccnc(C#N)c3)c2c1 ZINC001206589700 968402531 /nfs/dbraw/zinc/40/25/31/968402531.db2.gz IOWXLQIGTRXRSO-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)CC1 ZINC001251991583 968429588 /nfs/dbraw/zinc/42/95/88/968429588.db2.gz XJEOVXGNRWYWLK-ZFWWWQNUSA-N 1 0 244.338 2.346 20 30 BEEDRO C#CC[C@H](CC)OCC[NH+]1CCCCC1 ZINC001206710318 968438621 /nfs/dbraw/zinc/43/86/21/968438621.db2.gz YLWSMWNQRRTEMJ-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO CCCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001252087308 968508827 /nfs/dbraw/zinc/50/88/27/968508827.db2.gz AKDARCFKILYLRD-YIYPIFLZSA-N 1 0 236.359 2.304 20 30 BEEDRO C=CCCC(=O)N(CC)CC[NH2+]C/C=C\Cl ZINC001273292709 968565778 /nfs/dbraw/zinc/56/57/78/968565778.db2.gz BOZYKTDYHYTJTG-VURMDHGXSA-N 1 0 244.766 2.143 20 30 BEEDRO C[NH+](C)CC(C)(C)CNc1cccc(/C=N/O)c1 ZINC001168768764 968573044 /nfs/dbraw/zinc/57/30/44/968573044.db2.gz HTBBQFKFXALQEL-CXUHLZMHSA-N 1 0 249.358 2.494 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCN(C(=O)CCC)C1 ZINC001207055784 968587652 /nfs/dbraw/zinc/58/76/52/968587652.db2.gz NYLUEDYWTUPWIC-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCCC1(CC[NH2+]C[C@@H](O)CCCC)N=N1 ZINC001252120155 968605464 /nfs/dbraw/zinc/60/54/64/968605464.db2.gz OJKSJRFGEZSHMA-LBPRGKRZSA-N 1 0 237.347 2.093 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CC1COC1 ZINC001252120592 968605597 /nfs/dbraw/zinc/60/55/97/968605597.db2.gz YYPKHQZVHNODJV-AWEZNQCLSA-N 1 0 243.391 2.334 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CC(C)(C)O ZINC001252131734 968609544 /nfs/dbraw/zinc/60/95/44/968609544.db2.gz TYRZGWCIUCVYHD-ZDUSSCGKSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H](O)CF ZINC001252139812 968609814 /nfs/dbraw/zinc/60/98/14/968609814.db2.gz SWHKIYZVKZPRPA-OLZOCXBDSA-N 1 0 249.370 2.018 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@H](CF)C2)cc1C#N ZINC001207106080 968634879 /nfs/dbraw/zinc/63/48/79/968634879.db2.gz FCOKIKCYBZWHBR-LLVKDONJSA-N 1 0 235.306 2.078 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](C)CC ZINC001154783005 968664462 /nfs/dbraw/zinc/66/44/62/968664462.db2.gz ZXPRSDQTBCNHHC-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO CCCN(CCC#N)CC(C)(C)C[NH+](C)C ZINC001207285367 968706021 /nfs/dbraw/zinc/70/60/21/968706021.db2.gz IGSMYRQCEQAMHF-UHFFFAOYSA-N 1 0 225.380 2.200 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C ZINC000134926445 968733574 /nfs/dbraw/zinc/73/35/74/968733574.db2.gz PUJPDBVAORJQPA-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001252482699 968740154 /nfs/dbraw/zinc/74/01/54/968740154.db2.gz NSLWUUXLLDONEB-DZGCQCFKSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C[C@@H](CC)CCCC ZINC001252486656 968743038 /nfs/dbraw/zinc/74/30/38/968743038.db2.gz GDKNFCBBVVMONO-KBPBESRZSA-N 1 0 243.391 2.356 20 30 BEEDRO C=C(C)c1ccccc1C(=O)N1CCC([NH3+])CC1 ZINC001240836351 968746643 /nfs/dbraw/zinc/74/66/43/968746643.db2.gz DVGOMRRBIRFOKC-UHFFFAOYSA-N 1 0 244.338 2.283 20 30 BEEDRO COc1cccc(CC[NH+]2CC(CC#N)C2)c1 ZINC001207427719 968766143 /nfs/dbraw/zinc/76/61/43/968766143.db2.gz CAHBPVXVIOTVNM-UHFFFAOYSA-N 1 0 230.311 2.083 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+](C)CCc1ccccc1OC ZINC001252555511 968795145 /nfs/dbraw/zinc/79/51/45/968795145.db2.gz WSCVJUVIBJQHRC-OAHLLOKOSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1cccc(F)c1 ZINC001252556476 968798696 /nfs/dbraw/zinc/79/86/96/968798696.db2.gz HIULQROVYJOTAD-CQSZACIVSA-N 1 0 237.318 2.237 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001252557717 968800516 /nfs/dbraw/zinc/80/05/16/968800516.db2.gz KCLYACPEEWPJDW-LSDHHAIUSA-N 1 0 246.354 2.464 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](Cc1ccco1)C1CC1 ZINC001252559320 968803478 /nfs/dbraw/zinc/80/34/78/968803478.db2.gz VWHKQVPIHQVPOP-CYBMUJFWSA-N 1 0 221.300 2.181 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252559314 968804841 /nfs/dbraw/zinc/80/48/41/968804841.db2.gz VKFSVYNEYPIJEI-HNNXBMFYSA-N 1 0 248.370 2.121 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1cccc(F)c1F ZINC001252558951 968804874 /nfs/dbraw/zinc/80/48/74/968804874.db2.gz PMVUMVQKAKOOLS-ZDUSSCGKSA-N 1 0 241.281 2.334 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC001252559317 968805760 /nfs/dbraw/zinc/80/57/60/968805760.db2.gz VKFSVYNEYPIJEI-OAHLLOKOSA-N 1 0 248.370 2.121 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CC1CCCCC1 ZINC001252560175 968809047 /nfs/dbraw/zinc/80/90/47/968809047.db2.gz OMRHDJDKXAEQHY-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CC(c2ccccc2)C1 ZINC001252560451 968809220 /nfs/dbraw/zinc/80/92/20/968809220.db2.gz SIXPUZGRSCVZPX-AWEZNQCLSA-N 1 0 217.312 2.023 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(C)cc(C)c1 ZINC001252571421 968820154 /nfs/dbraw/zinc/82/01/54/968820154.db2.gz IUFJNMQZYDSECQ-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cnc2ccccc2c1 ZINC001252571108 968820291 /nfs/dbraw/zinc/82/02/91/968820291.db2.gz DOGYNDWQVLDNMG-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1C ZINC001252571675 968821866 /nfs/dbraw/zinc/82/18/66/968821866.db2.gz JCWVJARAELKSAM-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2ccccc21 ZINC001252572872 968823766 /nfs/dbraw/zinc/82/37/66/968823766.db2.gz VTNQSIBXKOXRFP-ZIAGYGMSSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1C[C@H]1c1ccc(F)cc1 ZINC001252575536 968828789 /nfs/dbraw/zinc/82/87/89/968828789.db2.gz CJWGRTFCYVBHJH-BFHYXJOUSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001252578128 968829817 /nfs/dbraw/zinc/82/98/17/968829817.db2.gz PZAJZEASWAWADD-CQSZACIVSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC001252577581 968830440 /nfs/dbraw/zinc/83/04/40/968830440.db2.gz KXUIHEJUBSJIEF-BFHYXJOUSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1CCC(C)(C)CC1 ZINC001252582837 968835039 /nfs/dbraw/zinc/83/50/39/968835039.db2.gz XNGWYBVOKJLOLM-CYBMUJFWSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1sccc1Cl ZINC001252581405 968835898 /nfs/dbraw/zinc/83/58/98/968835898.db2.gz HIHUERSWXFCMJE-JTQLQIEISA-N 1 0 231.748 2.428 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2ccccn2)CCC1 ZINC001252584137 968837946 /nfs/dbraw/zinc/83/79/46/968837946.db2.gz YIBYCOSFLMGHQM-AWEZNQCLSA-N 1 0 246.354 2.073 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1cccnc1C)C1CC1 ZINC001252583398 968838404 /nfs/dbraw/zinc/83/84/04/968838404.db2.gz JPQIQOFNMOCZBK-CABCVRRESA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C(F)(F)F)o1 ZINC001252584777 968838523 /nfs/dbraw/zinc/83/85/23/968838523.db2.gz FRHGHEATBMYMJL-JTQLQIEISA-N 1 0 249.232 2.325 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1ccc(C)cn1)C1CC1 ZINC001252583551 968838575 /nfs/dbraw/zinc/83/85/75/968838575.db2.gz NDRQZNIIUCTCRM-GJZGRUSLSA-N 1 0 246.354 2.368 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1CCCCC1 ZINC001252585873 968839323 /nfs/dbraw/zinc/83/93/23/968839323.db2.gz AILDKOYMRVKTGZ-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001252586032 968839693 /nfs/dbraw/zinc/83/96/93/968839693.db2.gz WUWIIZXXOJOUJA-SKDRFNHKSA-N 1 0 240.734 2.323 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1CCc2ccccc2CC1 ZINC001252585737 968839899 /nfs/dbraw/zinc/83/98/99/968839899.db2.gz SOMNVUVNEFXUSP-INIZCTEOSA-N 1 0 245.366 2.461 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CSc2ccccc2C1 ZINC001252585387 968840059 /nfs/dbraw/zinc/84/00/59/968840059.db2.gz MZUZSMOEYQVZNM-TZMCWYRMSA-N 1 0 249.379 2.230 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1cccc(N(C)C)c1 ZINC001252586015 968840488 /nfs/dbraw/zinc/84/04/88/968840488.db2.gz WSEKWYDOLBLSOB-WFASDCNBSA-N 1 0 248.370 2.340 20 30 BEEDRO Cc1cc(C#N)c(N[C@H]2CCC[C@H]([NH3+])C2)nc1C ZINC001154986883 968840872 /nfs/dbraw/zinc/84/08/72/968840872.db2.gz VCSTUOVMFQOMHY-STQMWFEESA-N 1 0 244.342 2.252 20 30 BEEDRO N#C[C@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628458 968844637 /nfs/dbraw/zinc/84/46/37/968844637.db2.gz HQSBWVMQYBCFBV-UMSGYPCISA-N 1 0 202.301 2.044 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628006 968844886 /nfs/dbraw/zinc/84/48/86/968844886.db2.gz FDYYAJVCVNMVMP-IGQOVBAYSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@H](O)CNc1ccc2[nH+]ccn2c1 ZINC001252589737 968845941 /nfs/dbraw/zinc/84/59/41/968845941.db2.gz YJRSNUWUIOODTH-LBPRGKRZSA-N 1 0 231.299 2.073 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](F)CC1 ZINC001252593574 968847807 /nfs/dbraw/zinc/84/78/07/968847807.db2.gz KLLXGPGDKCGMOG-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]([NH2+]CCCC)C1 ZINC001207656702 968856372 /nfs/dbraw/zinc/85/63/72/968856372.db2.gz LQDIWZIIKBZHGN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(OCCC)CC1 ZINC001252599969 968857321 /nfs/dbraw/zinc/85/73/21/968857321.db2.gz RNYRVGAGQUMHGC-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CCC#N)CCCC ZINC001252599087 968857622 /nfs/dbraw/zinc/85/76/22/968857622.db2.gz WNKQWAMMKZHMBT-CYBMUJFWSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001252603354 968859748 /nfs/dbraw/zinc/85/97/48/968859748.db2.gz UDQJZRMFWHJJFB-FQUUOJAGSA-N 1 0 234.343 2.080 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CC(c2ccccc2)C1 ZINC001252603341 968861363 /nfs/dbraw/zinc/86/13/63/968861363.db2.gz TUPBQPFSDGIWOC-OAHLLOKOSA-N 1 0 231.339 2.413 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001252612866 968869971 /nfs/dbraw/zinc/86/99/71/968869971.db2.gz SNRLMAXVDUCDCJ-UTUOFQBUSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCOc1ccccc1C ZINC001252615185 968872168 /nfs/dbraw/zinc/87/21/68/968872168.db2.gz WSMRXJFPSXESGY-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC001252616242 968874926 /nfs/dbraw/zinc/87/49/26/968874926.db2.gz MAHXUZLAPWGJAI-CQSZACIVSA-N 1 0 247.338 2.038 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CC[C@H](C)CC1 ZINC001252618650 968876693 /nfs/dbraw/zinc/87/66/93/968876693.db2.gz ZUGKMSQSHRDGRY-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCOCC1)C1CCC1 ZINC001207774159 968880615 /nfs/dbraw/zinc/88/06/15/968880615.db2.gz KWLATRUYSWHCCQ-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cncc(Cl)c1 ZINC001252619200 968880423 /nfs/dbraw/zinc/88/04/23/968880423.db2.gz BYZYHCBESWPVKU-GFCCVEGCSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccncc1Cl ZINC001252620678 968880645 /nfs/dbraw/zinc/88/06/45/968880645.db2.gz NSCWGAGYQDFRMB-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCOC1CCCCC1 ZINC001252619973 968881048 /nfs/dbraw/zinc/88/10/48/968881048.db2.gz HNHBBOCLILBRQL-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1(CC)CCOCC1 ZINC001252623057 968884128 /nfs/dbraw/zinc/88/41/28/968884128.db2.gz CCUVFLUIEACIOI-CYBMUJFWSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC1(O)C[NH+](Cc2ccccc2CC)C1 ZINC001207805824 968887928 /nfs/dbraw/zinc/88/79/28/968887928.db2.gz KSYLCZWYELZXMU-UHFFFAOYSA-N 1 0 231.339 2.372 20 30 BEEDRO C#CC[NH+](CC#C)CC1(c2ccccc2)CC1 ZINC001207841269 968898794 /nfs/dbraw/zinc/89/87/94/968898794.db2.gz UGTFNLLFJDTDIW-UHFFFAOYSA-N 1 0 223.319 2.287 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNc1ncccc1C#N ZINC001207864889 968910305 /nfs/dbraw/zinc/91/03/05/968910305.db2.gz HWNVGYFMLMZTBZ-GFCCVEGCSA-N 1 0 244.342 2.309 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cn(C)nc1CC ZINC000180343050 968943371 /nfs/dbraw/zinc/94/33/71/968943371.db2.gz HBJUUEKJHICZBY-UHFFFAOYSA-N 1 0 221.348 2.381 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1CCC ZINC001323245338 1169929922 /nfs/dbraw/zinc/92/99/22/1169929922.db2.gz ZQUISDHZOFDOGZ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC1(C[N@@H+]2CCC[C@@H](CC#N)C2)CCOCC1 ZINC001207969656 968970120 /nfs/dbraw/zinc/97/01/20/968970120.db2.gz QXTJHTMLUICTCA-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCn1cccn1 ZINC001208076813 968981346 /nfs/dbraw/zinc/98/13/46/968981346.db2.gz AQLUKVNFNLWVNA-UHFFFAOYSA-N 1 0 207.321 2.171 20 30 BEEDRO CCCCCCC/C=C/C[N@H+](C)C[C@@H](O)CO ZINC001208119911 969011691 /nfs/dbraw/zinc/01/16/91/969011691.db2.gz IVMKUJHTJMOXTG-ATWMFIQVSA-N 1 0 243.391 2.188 20 30 BEEDRO C[C@@H]1CC(=NNCc2ccc(F)cc2)CC[N@@H+]1C ZINC001253072046 969077494 /nfs/dbraw/zinc/07/74/94/969077494.db2.gz WQEUGMBPRUEIGT-LLVKDONJSA-N 1 0 249.333 2.385 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C(N)=O)C2)CC1 ZINC001208177086 969110122 /nfs/dbraw/zinc/11/01/22/969110122.db2.gz MRKZLCYHGFGYOX-ZIAGYGMSSA-N 1 0 248.370 2.096 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)CCC ZINC001155875345 969111562 /nfs/dbraw/zinc/11/15/62/969111562.db2.gz HSGLTUDTELTICC-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)(C)O ZINC001253247391 969120471 /nfs/dbraw/zinc/12/04/71/969120471.db2.gz YVNOBCQFBILCKZ-CYBMUJFWSA-N 1 0 243.391 2.234 20 30 BEEDRO C#CC[NH2+]C[C@@H](O)CCCCCCC=C ZINC001253248577 969123111 /nfs/dbraw/zinc/12/31/11/969123111.db2.gz XNMXCDJWIGCPGH-ZDUSSCGKSA-N 1 0 209.333 2.097 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCF ZINC001253248274 969123626 /nfs/dbraw/zinc/12/36/26/969123626.db2.gz SXASIXAIAYCBKM-LBPRGKRZSA-N 1 0 217.328 2.433 20 30 BEEDRO CC[N@H+](CCC#N)C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724857525 969128884 /nfs/dbraw/zinc/12/88/84/969128884.db2.gz CTARBPVOVSBVOQ-CLLJXQQHSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000165862649 969131968 /nfs/dbraw/zinc/13/19/68/969131968.db2.gz XSBGNTPGPTVEFI-BMIGLBTASA-N 1 0 223.341 2.088 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000166352660 969149429 /nfs/dbraw/zinc/14/94/29/969149429.db2.gz KOHAWNPAUKJRTA-TVQRCGJNSA-N 1 0 219.715 2.419 20 30 BEEDRO CC[NH+]1CCC(CN2CCCC[C@@H]2C#N)CC1 ZINC001208598578 969150972 /nfs/dbraw/zinc/15/09/72/969150972.db2.gz TVPBLHKKWWETNS-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H](O)COC(C)(C)C ZINC001253458833 969183465 /nfs/dbraw/zinc/18/34/65/969183465.db2.gz FIPSADIQZUJTCQ-CYBMUJFWSA-N 1 0 243.391 2.451 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168816816 969218139 /nfs/dbraw/zinc/21/81/39/969218139.db2.gz MLFHDLFKUXLFJD-MNOVXSKESA-N 1 0 240.347 2.160 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC001253547514 969220567 /nfs/dbraw/zinc/22/05/67/969220567.db2.gz NKLPIHUEGNJYAI-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+]CC(C)(C)S ZINC001253556583 969229132 /nfs/dbraw/zinc/22/91/32/969229132.db2.gz XGCHZFRMFUZSRP-SNVBAGLBSA-N 1 0 219.394 2.226 20 30 BEEDRO C[N@H+]1CC=C(Nc2cccc(C#N)c2)CC1 ZINC001208839175 969252343 /nfs/dbraw/zinc/25/23/43/969252343.db2.gz YDEOBSIPQHTICG-UHFFFAOYSA-N 1 0 213.284 2.190 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCc2cccc(C#N)c2)C1 ZINC001208844984 969254854 /nfs/dbraw/zinc/25/48/54/969254854.db2.gz NAVZSFJECRGVDF-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)Cc1ccccc1Cl ZINC001253580975 969255855 /nfs/dbraw/zinc/25/58/55/969255855.db2.gz FUWYSJLFPBGOCY-LLVKDONJSA-N 1 0 225.719 2.319 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001253579196 969258354 /nfs/dbraw/zinc/25/83/54/969258354.db2.gz NQDJKGVPCPGLQF-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC001253582635 969262852 /nfs/dbraw/zinc/26/28/52/969262852.db2.gz RJYINUMIUKIMOI-HUUCEWRRSA-N 1 0 231.339 2.413 20 30 BEEDRO N#C[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001208880456 969269838 /nfs/dbraw/zinc/26/98/38/969269838.db2.gz MEBPJAOAVIGCOP-STQMWFEESA-N 1 0 220.316 2.305 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001253586963 969272063 /nfs/dbraw/zinc/27/20/63/969272063.db2.gz VYQYRSLGJOTGPC-CQSZACIVSA-N 1 0 247.338 2.119 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1F ZINC001253597048 969288429 /nfs/dbraw/zinc/28/84/29/969288429.db2.gz AJJDIPOPZNYTSH-SNVBAGLBSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC(C)(C)c1ccccc1 ZINC001253598798 969290375 /nfs/dbraw/zinc/29/03/75/969290375.db2.gz YIGAFTVFNCJKHX-ZDUSSCGKSA-N 1 0 219.328 2.101 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC001253598498 969290846 /nfs/dbraw/zinc/29/08/46/969290846.db2.gz UYWDWDZOZINOND-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(C)cc(F)cc1C ZINC001253601036 969294091 /nfs/dbraw/zinc/29/40/91/969294091.db2.gz JZBRSHOUFGPWJR-GFCCVEGCSA-N 1 0 223.291 2.079 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cnc(Cl)cc1Cl ZINC001253603348 969299088 /nfs/dbraw/zinc/29/90/88/969299088.db2.gz VWMAYDPVOYHVSL-MRVPVSSYSA-N 1 0 247.125 2.025 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC001253602670 969299683 /nfs/dbraw/zinc/29/96/83/969299683.db2.gz LBFQKYABIAJXSK-COPLHBTASA-N 1 0 217.312 2.371 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001253606243 969301593 /nfs/dbraw/zinc/30/15/93/969301593.db2.gz CQPGABKZJIFWMO-VHSXEESVSA-N 1 0 231.286 2.091 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC001253607488 969304377 /nfs/dbraw/zinc/30/43/77/969304377.db2.gz XWMHOEUTOMPARD-CYBMUJFWSA-N 1 0 219.328 2.367 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC001253608234 969308029 /nfs/dbraw/zinc/30/80/29/969308029.db2.gz KCNWTHVJCQUDBG-ZYHUDNBSSA-N 1 0 223.291 2.332 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@H](O)C=C)c1ccccc1 ZINC001253611434 969312795 /nfs/dbraw/zinc/31/27/95/969312795.db2.gz PIMJUJVSTOXTDL-ZIAGYGMSSA-N 1 0 217.312 2.440 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001253610995 969313877 /nfs/dbraw/zinc/31/38/77/969313877.db2.gz KMKAWJNEOGWRES-JTQLQIEISA-N 1 0 240.734 2.107 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001253610820 969314036 /nfs/dbraw/zinc/31/40/36/969314036.db2.gz XNGGOHLIRREAPZ-WCBMZHEXSA-N 1 0 227.254 2.162 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](C)(CO)CC1 ZINC001209157098 969356887 /nfs/dbraw/zinc/35/68/87/969356887.db2.gz OAOFGKIIDXQXMV-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001209157565 969360123 /nfs/dbraw/zinc/36/01/23/969360123.db2.gz XKPJOONIOUFSKW-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@@H+]1CCc2onc(COC)c2C1 ZINC001209161524 969362348 /nfs/dbraw/zinc/36/23/48/969362348.db2.gz MJLGLDCXBSFNIX-UHFFFAOYSA-N 1 0 236.315 2.145 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001209161757 969362394 /nfs/dbraw/zinc/36/23/94/969362394.db2.gz CXWRLCJJDAAYDH-PHIMTYICSA-N 1 0 231.286 2.166 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H]2CC[C@H](C1)C2C(=O)OC ZINC001209160194 969362567 /nfs/dbraw/zinc/36/25/67/969362567.db2.gz IJAJVTNMPOKMIO-FUNVUKJBSA-N 1 0 237.343 2.084 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](N(C)C(C)C)C1 ZINC001209163258 969365087 /nfs/dbraw/zinc/36/50/87/969365087.db2.gz AELCBEPEJZKZCU-CYBMUJFWSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001209182389 969376047 /nfs/dbraw/zinc/37/60/47/969376047.db2.gz DAODRVOYBMGDAE-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](C(=O)N(C)C)C1 ZINC001209202412 969387750 /nfs/dbraw/zinc/38/77/50/969387750.db2.gz GNEVPAVRZJWQGZ-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H]2C[C@]21C(=O)OCC ZINC001209200939 969389655 /nfs/dbraw/zinc/38/96/55/969389655.db2.gz QNFGFBUWBQKDTP-GXTWGEPZSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001209208340 969397748 /nfs/dbraw/zinc/39/77/48/969397748.db2.gz RDAJYDYRSKHIHV-CYBMUJFWSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001209208366 969398271 /nfs/dbraw/zinc/39/82/71/969398271.db2.gz SENCQTKXWNZNGU-FUNVUKJBSA-N 1 0 237.343 2.084 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cccc2c1OCO2 ZINC001209268858 969418739 /nfs/dbraw/zinc/41/87/39/969418739.db2.gz SNYSAGCSYQTHGX-UHFFFAOYSA-N 1 0 231.295 2.261 20 30 BEEDRO COc1cc(C#N)ccc1Nc1c(C)[nH+]cn1C ZINC001209326359 969443212 /nfs/dbraw/zinc/44/32/12/969443212.db2.gz ZDNVQKNCPAVJHF-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NCC#CC(C)(C)C)C2 ZINC001169110167 969445748 /nfs/dbraw/zinc/44/57/48/969445748.db2.gz LDVFGZWCMODDLH-BTTYYORXSA-N 1 0 234.387 2.251 20 30 BEEDRO C=CCN(CC=C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169142158 969451299 /nfs/dbraw/zinc/45/12/99/969451299.db2.gz ACEMYUJVOSQGES-BTTYYORXSA-N 1 0 220.360 2.286 20 30 BEEDRO CCCCCCCc1cn(CC2C[NH2+]C2)nn1 ZINC001254060162 969466245 /nfs/dbraw/zinc/46/62/45/969466245.db2.gz RFSCUMCCDFDNMZ-UHFFFAOYSA-N 1 0 236.363 2.010 20 30 BEEDRO CCCCCCCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001254060967 969467456 /nfs/dbraw/zinc/46/74/56/969467456.db2.gz AHFJRMGZAKMJRP-CYBMUJFWSA-N 1 0 236.363 2.325 20 30 BEEDRO CC[NH+]1CCC(N[C@@H](C#N)c2ccccc2)CC1 ZINC001169218141 969488081 /nfs/dbraw/zinc/48/80/81/969488081.db2.gz MKCGXSSNFHOENL-HNNXBMFYSA-N 1 0 243.354 2.325 20 30 BEEDRO C=CC(N[C@@H]1CCCC(F)(F)C1)=[NH+]COC ZINC001169214561 969488986 /nfs/dbraw/zinc/48/89/86/969488986.db2.gz FGWRNZXILWZJJX-SECBINFHSA-N 1 0 232.274 2.342 20 30 BEEDRO C=CCCCCC[NH+]1CC2(C1)CCOC2 ZINC001209423414 969490352 /nfs/dbraw/zinc/49/03/52/969490352.db2.gz PBVVUCBDWBYXPE-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN2CC[C@H]2C1 ZINC001209432231 969503958 /nfs/dbraw/zinc/50/39/58/969503958.db2.gz BBKGKSOHKZFBIY-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO CC[NH+]1CCC(NC2(C#N)CCCCC2)CC1 ZINC001169230393 969504253 /nfs/dbraw/zinc/50/42/53/969504253.db2.gz AQHCWXJCSPDFIX-UHFFFAOYSA-N 1 0 235.375 2.287 20 30 BEEDRO C[C@H]([NH3+])c1ccn(-c2cc(F)cc(CC#N)c2)n1 ZINC001169234367 969513706 /nfs/dbraw/zinc/51/37/06/969513706.db2.gz HXBIDIPXBKYETK-VIFPVBQESA-N 1 0 244.273 2.097 20 30 BEEDRO CCN1CCC([N@@H+]2CCC[C@@H](C#N)CC2)CC1 ZINC001169263765 969521870 /nfs/dbraw/zinc/52/18/70/969521870.db2.gz AXYAADLYAFLBNC-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](C)CC ZINC001169248938 969538746 /nfs/dbraw/zinc/53/87/46/969538746.db2.gz XVKKBVWDGRQAPT-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO CCN1CCC([N@@H+]2CCC[C@@H](CC#N)C2)CC1 ZINC001169258713 969542660 /nfs/dbraw/zinc/54/26/60/969542660.db2.gz PBZSRJOUSFDFLL-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C1(C)CC(=C)C1)C1CC1 ZINC001276655375 969565347 /nfs/dbraw/zinc/56/53/47/969565347.db2.gz BJSFMYLKSPTGBB-ZDUSSCGKSA-N 1 0 248.370 2.013 20 30 BEEDRO Cc1ccc(C(=[NH2+])N[C@H]2CCCOC2)cc1C ZINC001254373647 969586873 /nfs/dbraw/zinc/58/68/73/969586873.db2.gz DYHDVYUBJYBOJT-ZDUSSCGKSA-N 1 0 232.327 2.188 20 30 BEEDRO CCCCN(CCC#N)Cc1c[nH+]ccc1N ZINC001209733570 969595609 /nfs/dbraw/zinc/59/56/09/969595609.db2.gz FSEZXLVOHYDCGW-UHFFFAOYSA-N 1 0 232.331 2.010 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@](C)(CC)CCC ZINC001169336783 969603529 /nfs/dbraw/zinc/60/35/29/969603529.db2.gz LVMGRIXEVSGIHU-AWEZNQCLSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)[C@@H](C)CC ZINC001169386052 969622289 /nfs/dbraw/zinc/62/22/89/969622289.db2.gz MGFYLUIXBXPJAR-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C#CC[N@@H+](C)C1CCc2ccccc2CC1 ZINC001254461129 969648805 /nfs/dbraw/zinc/64/88/05/969648805.db2.gz BGAQQPIFPXXDDZ-UHFFFAOYSA-N 1 0 213.324 2.499 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1ccc(O)cc1C#N ZINC001209969010 969736850 /nfs/dbraw/zinc/73/68/50/969736850.db2.gz HTWLOKHQMJNEMN-UHFFFAOYSA-N 1 0 240.266 2.293 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542448 969738614 /nfs/dbraw/zinc/73/86/14/969738614.db2.gz NHRHDAICKHYEET-QWRGUYRKSA-N 1 0 232.283 2.137 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254637257 969749908 /nfs/dbraw/zinc/74/99/08/969749908.db2.gz NYXSKIPNESPOFD-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)c1nc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)no1 ZINC001254634490 969751019 /nfs/dbraw/zinc/75/10/19/969751019.db2.gz GWNCSGWDKFWTBW-MNOVXSKESA-N 1 0 248.330 2.017 20 30 BEEDRO N#C[C@H]1CC[C@H](N(CC[NH3+])Cc2ccccc2)C1 ZINC001254634247 969751236 /nfs/dbraw/zinc/75/12/36/969751236.db2.gz AGFKCSNHLIQEFB-GJZGRUSLSA-N 1 0 243.354 2.140 20 30 BEEDRO Cc1ccnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC001254634509 969751288 /nfs/dbraw/zinc/75/12/88/969751288.db2.gz HGKGYVCILZSXHE-NEPJUHHUSA-N 1 0 215.300 2.172 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254634269 969751578 /nfs/dbraw/zinc/75/15/78/969751578.db2.gz ARIBWZFQISAUBA-GHMZBOCLSA-N 1 0 238.331 2.000 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001254635310 969753879 /nfs/dbraw/zinc/75/38/79/969753879.db2.gz DCNILPJEYBUKNF-CHWSQXEVSA-N 1 0 236.359 2.354 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCc2ccncc2)C1 ZINC001254636238 969754667 /nfs/dbraw/zinc/75/46/67/969754667.db2.gz KATSYAMXDIGPDP-KGLIPLIRSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001254641960 969756540 /nfs/dbraw/zinc/75/65/40/969756540.db2.gz DKUNDVKQFCHEJX-KIJLLGNVSA-N 1 0 204.317 2.457 20 30 BEEDRO CCCCC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254641932 969756713 /nfs/dbraw/zinc/75/67/13/969756713.db2.gz BTIONIKIKRTNTO-QJPTWQEYSA-N 1 0 222.332 2.416 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)Cc2ccccc2)C1 ZINC001254644005 969757815 /nfs/dbraw/zinc/75/78/15/969757815.db2.gz PFPVRCYNFPMQIB-ZIAGYGMSSA-N 1 0 242.322 2.080 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cs1 ZINC001254646872 969761033 /nfs/dbraw/zinc/76/10/33/969761033.db2.gz CWJXSDGQAQXEKB-GXSJLCMTSA-N 1 0 231.324 2.402 20 30 BEEDRO CC(C)n1cnc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC001254646568 969761240 /nfs/dbraw/zinc/76/12/40/969761240.db2.gz BLIVGEHLXZGEFZ-RYUDHWBXSA-N 1 0 232.331 2.246 20 30 BEEDRO CC(C)n1cnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC001254646562 969761265 /nfs/dbraw/zinc/76/12/65/969761265.db2.gz BLIVGEHLXZGEFZ-NEPJUHHUSA-N 1 0 232.331 2.246 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1nccs1 ZINC001254647331 969761626 /nfs/dbraw/zinc/76/16/26/969761626.db2.gz GBVVXCJFTUAKAN-UTLUCORTSA-N 1 0 221.329 2.486 20 30 BEEDRO N#C[C@H]1CC[C@@H](NC(=[NH2+])c2cccnc2Cl)C1 ZINC001254647811 969762909 /nfs/dbraw/zinc/76/29/09/969762909.db2.gz VVXCNDFIMQEOMV-DTWKUNHWSA-N 1 0 248.717 2.342 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001254655097 969766482 /nfs/dbraw/zinc/76/64/82/969766482.db2.gz YOYHEWJMIKYJSX-GJZGRUSLSA-N 1 0 244.338 2.173 20 30 BEEDRO Cc1cccc([C@@H](CO)[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC001254657284 969767815 /nfs/dbraw/zinc/76/78/15/969767815.db2.gz OIPZGOPWZDRCSN-NWANDNLSSA-N 1 0 244.338 2.310 20 30 BEEDRO C[N@H+](Cc1ccncc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254659560 969767880 /nfs/dbraw/zinc/76/78/80/969767880.db2.gz AXQNEWRYMLRQST-OLZOCXBDSA-N 1 0 215.300 2.206 20 30 BEEDRO Cc1cccc([C@@H](CO)[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254657204 969768035 /nfs/dbraw/zinc/76/80/35/969768035.db2.gz OIPZGOPWZDRCSN-BPLDGKMQSA-N 1 0 244.338 2.310 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C[C@H]1F ZINC001254659987 969768295 /nfs/dbraw/zinc/76/82/95/969768295.db2.gz FMBUZBUESCPPDJ-WISYIIOYSA-N 1 0 210.296 2.359 20 30 BEEDRO N#CCc1c(F)cccc1NCC[C@H]1CCC[NH2+]1 ZINC001169570066 969768517 /nfs/dbraw/zinc/76/85/17/969768517.db2.gz WXMKBDDOVMULQU-LLVKDONJSA-N 1 0 247.317 2.446 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001254659977 969768714 /nfs/dbraw/zinc/76/87/14/969768714.db2.gz FLQBBJMMZVRUAV-FZMZJTMJSA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001254659980 969768957 /nfs/dbraw/zinc/76/89/57/969768957.db2.gz FLQBBJMMZVRUAV-SMDDNHRTSA-N 1 0 227.311 2.132 20 30 BEEDRO CCN(CC[NH+](CC)CC)[C@H]1CC[C@H](C#N)C1 ZINC001254668155 969774333 /nfs/dbraw/zinc/77/43/33/969774333.db2.gz GMUKDNWKEFUKQC-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001254670828 969778494 /nfs/dbraw/zinc/77/84/94/969778494.db2.gz MRFUYAZVWCKZTP-HTFCKZLJSA-N 1 0 208.280 2.111 20 30 BEEDRO CN1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)C2(CCCC2)C1 ZINC001254674651 969781899 /nfs/dbraw/zinc/78/18/99/969781899.db2.gz BFUIEVNQRCFXFQ-UONOGXRCSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(C)[N@H+](C)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254673981 969781957 /nfs/dbraw/zinc/78/19/57/969781957.db2.gz RYYQLNPBGPEJMT-BFHYXJOUSA-N 1 0 235.375 2.093 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001254679706 969782856 /nfs/dbraw/zinc/78/28/56/969782856.db2.gz PDWNQAKNQYVGCJ-AAVRWANBSA-N 1 0 234.343 2.180 20 30 BEEDRO N#Cc1cncc(Nc2cc[nH+]c3c2CCC3)c1 ZINC001210083175 969788902 /nfs/dbraw/zinc/78/89/02/969788902.db2.gz HEGKKWUSAYSTPT-UHFFFAOYSA-N 1 0 236.278 2.002 20 30 BEEDRO N#CC1(N[C@@H]2CC3CC[NH+](CC3)C2)CCCCC1 ZINC001254838888 969797997 /nfs/dbraw/zinc/79/79/97/969797997.db2.gz JDEXGDLNJOCXRX-CQSZACIVSA-N 1 0 247.386 2.287 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254849475 969805463 /nfs/dbraw/zinc/80/54/63/969805463.db2.gz BONXJBAFCWPBEQ-HUUCEWRRSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CC2CCN(CC2)C1 ZINC001254859098 969810124 /nfs/dbraw/zinc/81/01/24/969810124.db2.gz BBIANVGQLUUPNI-AWEZNQCLSA-N 1 0 222.376 2.369 20 30 BEEDRO C#C[C@@](C)(CC)Nc1ccc(C[NH+](C)C)cn1 ZINC001169691833 969810922 /nfs/dbraw/zinc/81/09/22/969810922.db2.gz GKZFBAUMASUMPM-AWEZNQCLSA-N 1 0 231.343 2.357 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(N)c(F)c[nH+]1 ZINC001169691432 969811220 /nfs/dbraw/zinc/81/12/20/969811220.db2.gz CMVWNLFKVPYGCI-NSHDSACASA-N 1 0 207.252 2.017 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CC2CC[NH+](CC2)C1 ZINC001254863181 969812522 /nfs/dbraw/zinc/81/25/22/969812522.db2.gz ZNSNDPFWELTIPK-HNNXBMFYSA-N 1 0 249.402 2.486 20 30 BEEDRO N#CCc1c(F)cccc1-n1ccc(C[NH3+])c1 ZINC001169726140 969820503 /nfs/dbraw/zinc/82/05/03/969820503.db2.gz SUHKIHFDQNRSFV-UHFFFAOYSA-N 1 0 229.258 2.141 20 30 BEEDRO C#C[C@](C)(CC)Nc1ccc2[nH]c(N)[nH+]c2c1 ZINC001169701377 969825545 /nfs/dbraw/zinc/82/55/45/969825545.db2.gz IVEIFVUNMYZKKS-CYBMUJFWSA-N 1 0 228.299 2.359 20 30 BEEDRO C=CCCC(=O)N[C@H](C)CCCC[NH2+]CCF ZINC001169706401 969826969 /nfs/dbraw/zinc/82/69/69/969826969.db2.gz RKWBBCLZDLLHDK-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)CCCC[NH2+]CCF ZINC001169706403 969827348 /nfs/dbraw/zinc/82/73/48/969827348.db2.gz RKWBBCLZDLLHDK-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254934182 969828362 /nfs/dbraw/zinc/82/83/62/969828362.db2.gz IDSLDSJJBAHAOC-JTNHKYCSSA-N 1 0 219.328 2.136 20 30 BEEDRO CC(C)(S)C[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254933735 969828367 /nfs/dbraw/zinc/82/83/67/969828367.db2.gz HDLJXTZYHNGMGD-IUCAKERBSA-N 1 0 227.373 2.042 20 30 BEEDRO C#CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255026017 969851198 /nfs/dbraw/zinc/85/11/98/969851198.db2.gz PSXCZEJLRWDBJT-UHFFFAOYSA-N 1 0 225.335 2.499 20 30 BEEDRO N#CCOc1ccccc1Nc1cc[nH+]cc1 ZINC001212595559 969867987 /nfs/dbraw/zinc/86/79/87/969867987.db2.gz ZMRLTNIQMBRAFX-UHFFFAOYSA-N 1 0 225.251 2.149 20 30 BEEDRO SC1CC[NH+](C2CCSCC2)CC1 ZINC001255094427 969872914 /nfs/dbraw/zinc/87/29/14/969872914.db2.gz XXBKQRZMCJTZDH-UHFFFAOYSA-N 1 0 217.403 2.276 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCCC3(C2)OCCO3)C1 ZINC001169954458 969889662 /nfs/dbraw/zinc/88/96/62/969889662.db2.gz ASNMCKVUONLCMB-KGLIPLIRSA-N 1 0 249.354 2.017 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCCC3(C2)OCCO3)CC1 ZINC001169957190 969890183 /nfs/dbraw/zinc/89/01/83/969890183.db2.gz CKAAQRPJCREELC-CQSZACIVSA-N 1 0 249.354 2.017 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCCC3(C2)OCCO3)CC1 ZINC001169957189 969890280 /nfs/dbraw/zinc/89/02/80/969890280.db2.gz CKAAQRPJCREELC-AWEZNQCLSA-N 1 0 249.354 2.017 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC)C2 ZINC001108868365 969906363 /nfs/dbraw/zinc/90/63/63/969906363.db2.gz ADCOGZQEPVVDLN-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCCC)C2 ZINC001108942034 969911495 /nfs/dbraw/zinc/91/14/95/969911495.db2.gz YWXBPUGCYBCROV-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\CC)C2 ZINC001109015453 969924260 /nfs/dbraw/zinc/92/42/60/969924260.db2.gz CIKDMFCTDLTNSJ-WAQDHOJFSA-N 1 0 248.370 2.250 20 30 BEEDRO CC[C@H](CC#N)NC1(CC#N)CCCC1 ZINC001255163701 969945324 /nfs/dbraw/zinc/94/53/24/969945324.db2.gz CLYGHXBZOKDZRP-LLVKDONJSA-N 1 0 205.305 2.495 20 30 BEEDRO CCOC(CCC[NH2+][C@@H](CC)CC#N)OCC ZINC001255151975 969955298 /nfs/dbraw/zinc/95/52/98/969955298.db2.gz KBZDKGOEYUBWSW-LBPRGKRZSA-N 1 0 242.363 2.448 20 30 BEEDRO CC[C@@H](CC#N)n1c2ccccc2nc1CC[NH3+] ZINC001255153136 969958247 /nfs/dbraw/zinc/95/82/47/969958247.db2.gz PHIDXYLSHAGUFV-NSHDSACASA-N 1 0 242.326 2.402 20 30 BEEDRO CC[C@@H](CC#N)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001255155248 969961623 /nfs/dbraw/zinc/96/16/23/969961623.db2.gz NBGSQKYQYDGYHG-VIFPVBQESA-N 1 0 236.706 2.133 20 30 BEEDRO CC[C@H](CC#N)N(C(N)=[NH2+])c1ccccc1F ZINC001255154835 969961752 /nfs/dbraw/zinc/96/17/52/969961752.db2.gz GYRCZANYYZAXBC-SECBINFHSA-N 1 0 234.278 2.218 20 30 BEEDRO CC[C@@H](CC#N)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001255154928 969962214 /nfs/dbraw/zinc/96/22/14/969962214.db2.gz ICLAVDIHHVZZGM-AVGNSLFASA-N 1 0 223.364 2.141 20 30 BEEDRO CC[C@@H](CC#N)N(C(N)=[NH2+])c1ccccc1F ZINC001255154843 969963166 /nfs/dbraw/zinc/96/31/66/969963166.db2.gz GYRCZANYYZAXBC-VIFPVBQESA-N 1 0 234.278 2.218 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](CC)CC#N)C1 ZINC001255165283 969976147 /nfs/dbraw/zinc/97/61/47/969976147.db2.gz WKOPABPKCJTAGZ-WOPDTQHZSA-N 1 0 238.331 2.000 20 30 BEEDRO CCCC[NH+]1CCN([C@@H](CC)CC#N)CC1 ZINC001255172022 969985222 /nfs/dbraw/zinc/98/52/22/969985222.db2.gz HMCMBJCCBUTGJN-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO CC[C@@H](CC#N)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001255171788 969985576 /nfs/dbraw/zinc/98/55/76/969985576.db2.gz AVGMMHBXEMZTSO-RFGFWPKPSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@@H](CC#N)N1CCc2cccc(O)c2C1 ZINC001255176080 969992155 /nfs/dbraw/zinc/99/21/55/969992155.db2.gz WKLGGZBBJFTGRQ-LBPRGKRZSA-N 1 0 230.311 2.443 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc(C2CCC2)o1 ZINC001255214371 970005701 /nfs/dbraw/zinc/00/57/01/970005701.db2.gz QJRSPLLJNHJPOY-UHFFFAOYSA-N 1 0 233.315 2.446 20 30 BEEDRO C[C@@H]1CC(=O)C=C(n2c(N)[nH+]c3ccccc32)C1 ZINC001210767072 970018112 /nfs/dbraw/zinc/01/81/12/970018112.db2.gz SYYGZDHEIQROEI-VIFPVBQESA-N 1 0 241.294 2.458 20 30 BEEDRO C[C@H]1CC(=O)C=C(n2c(N)[nH+]c3ccccc32)C1 ZINC001210767071 970018769 /nfs/dbraw/zinc/01/87/69/970018769.db2.gz SYYGZDHEIQROEI-SECBINFHSA-N 1 0 241.294 2.458 20 30 BEEDRO C[C@@H]1CC(=O)C=C(c2ccc3c(n2)CC[NH2+]C3)C1 ZINC001242734724 970039625 /nfs/dbraw/zinc/03/96/25/970039625.db2.gz BRKPEAJWRLAHKL-JTQLQIEISA-N 1 0 242.322 2.110 20 30 BEEDRO Cc1cc(Nc2c[nH+]cn2C)ccc1C#N ZINC001210805968 970046184 /nfs/dbraw/zinc/04/61/84/970046184.db2.gz NDPCJRJHYHHDLY-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(C)C)C1 ZINC001327846621 1169942219 /nfs/dbraw/zinc/94/22/19/1169942219.db2.gz JCBCBKCCBFATJT-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC001112612310 970125412 /nfs/dbraw/zinc/12/54/12/970125412.db2.gz PITQAGJKEGIKRH-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CC#Cc1cncc(-n2c(N)[nH+]c3ccccc32)c1 ZINC001211053789 970132863 /nfs/dbraw/zinc/13/28/63/970132863.db2.gz CIJLYUUXQPULNI-UHFFFAOYSA-N 1 0 248.289 2.374 20 30 BEEDRO C#CCCCC(=O)NCCC[NH2+]CCCCC ZINC001157178070 970141237 /nfs/dbraw/zinc/14/12/37/970141237.db2.gz PBMUNPHOHQRDMW-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2cc(C#N)ccn2)cc1 ZINC001211127475 970155526 /nfs/dbraw/zinc/15/55/26/970155526.db2.gz KBLDZCUBUJHEHS-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2cccc(C#N)n2)cc1 ZINC001211128121 970156684 /nfs/dbraw/zinc/15/66/84/970156684.db2.gz BJPISUVITYBOAF-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO Cc1cc(C#N)c(Nc2c[nH+]cn2C)cc1F ZINC001211253311 970200988 /nfs/dbraw/zinc/20/09/88/970200988.db2.gz FGDJZIWWXOMUKY-UHFFFAOYSA-N 1 0 230.246 2.483 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CCC[N@@H+](C)C1 ZINC001255475286 970205149 /nfs/dbraw/zinc/20/51/49/970205149.db2.gz NCDGSODQXHSPHM-LBPRGKRZSA-N 1 0 222.307 2.367 20 30 BEEDRO C=CC[N@@H+]([C@H]1CCCN(C)C1)C(C)(C)C ZINC001255493643 970253188 /nfs/dbraw/zinc/25/31/88/970253188.db2.gz AGCZYBRQMYUZIQ-LBPRGKRZSA-N 1 0 210.365 2.367 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255527971 970289982 /nfs/dbraw/zinc/28/99/82/970289982.db2.gz BVWLZKPUNYUTCF-AAEUAGOBSA-N 1 0 209.333 2.336 20 30 BEEDRO Cc1[nH+]cn(-c2cccc(C3(C#N)CC3)c2)c1N ZINC001213318177 970297457 /nfs/dbraw/zinc/29/74/57/970297457.db2.gz MNDFJCHNRTUGAM-UHFFFAOYSA-N 1 0 238.294 2.318 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC001170112290 970326034 /nfs/dbraw/zinc/32/60/34/970326034.db2.gz IJXXVPKLWZNWTI-MJBXVCDLSA-N 1 0 222.376 2.415 20 30 BEEDRO Cc1cc(C)c(Nc2ncn(C)c2C#N)cn1 ZINC001213510405 970331101 /nfs/dbraw/zinc/33/11/01/970331101.db2.gz BCECCOCWBFIISO-UHFFFAOYSA-N 1 0 227.271 2.047 20 30 BEEDRO N#Cc1ccc2ccnc(C3=CC[NH2+]C3)c2c1 ZINC001243107481 970337899 /nfs/dbraw/zinc/33/78/99/970337899.db2.gz HLEPPRPBBIEHRK-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO CCc1cc(Nc2ccncc2C#N)cc[nH+]1 ZINC001214009956 970412280 /nfs/dbraw/zinc/41/22/80/970412280.db2.gz TVCLJWHFXDFCLP-UHFFFAOYSA-N 1 0 224.267 2.076 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1ccc(C)cc1 ZINC001255795452 970495161 /nfs/dbraw/zinc/49/51/61/970495161.db2.gz IGFUDCGCEJBPHX-HNNXBMFYSA-N 1 0 225.335 2.494 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1cc(C#N)ccc1F ZINC001214593962 970516275 /nfs/dbraw/zinc/51/62/75/970516275.db2.gz VPJSVSOOBIAOMD-UHFFFAOYSA-N 1 0 230.246 2.483 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)CCO1 ZINC001170193290 970566595 /nfs/dbraw/zinc/56/65/95/970566595.db2.gz QPJFSWAILOABJN-NWDGAFQWSA-N 1 0 234.299 2.198 20 30 BEEDRO N#Cc1ccc(CNc2ccnc(C[NH3+])c2)s1 ZINC001170203626 970601607 /nfs/dbraw/zinc/60/16/07/970601607.db2.gz YOBUYPCYSFVKEH-UHFFFAOYSA-N 1 0 244.323 2.086 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC[C@@H]1CCOC1 ZINC000400557083 970601546 /nfs/dbraw/zinc/60/15/46/970601546.db2.gz BRAXSHDWFITTSR-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@H]1C[C@H]([NH+]2CCC(C#N)CC2)CCO1 ZINC001170204009 970606000 /nfs/dbraw/zinc/60/60/00/970606000.db2.gz NWTUZCPTWXTPAM-OLZOCXBDSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]1C[C@H]([NH+]2CCC(S)CC2)CCO1 ZINC001170225591 970625607 /nfs/dbraw/zinc/62/56/07/970625607.db2.gz AAFPPFXAJICSEE-MNOVXSKESA-N 1 0 229.389 2.338 20 30 BEEDRO CC(C)C[C@H](C#N)NC1CC[NH+](C2CC2)CC1 ZINC001256071048 970635269 /nfs/dbraw/zinc/63/52/69/970635269.db2.gz NNEPWGWJJCWRSD-CYBMUJFWSA-N 1 0 235.375 2.141 20 30 BEEDRO N#CC1(NC2CC[NH+](C3CC3)CC2)CCCCC1 ZINC001256067998 970636140 /nfs/dbraw/zinc/63/61/40/970636140.db2.gz RIPGILVOYHWPSX-UHFFFAOYSA-N 1 0 247.386 2.429 20 30 BEEDRO N#CC1(NC2CC[NH+](C3CC3)CC2)CCCC1 ZINC001256069097 970636526 /nfs/dbraw/zinc/63/65/26/970636526.db2.gz QLAGXSZTPBPLRG-UHFFFAOYSA-N 1 0 233.359 2.039 20 30 BEEDRO SC1CC[NH+](C2CCN(C3CC3)CC2)CC1 ZINC001256079578 970647059 /nfs/dbraw/zinc/64/70/59/970647059.db2.gz MMACVHDNOOMQHG-UHFFFAOYSA-N 1 0 240.416 2.007 20 30 BEEDRO C#CC1([NH2+]C2CCN(C)CC2)CCCCC1 ZINC001256201541 970693425 /nfs/dbraw/zinc/69/34/25/970693425.db2.gz LJMSQGUJJCHWJR-UHFFFAOYSA-N 1 0 220.360 2.006 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc[nH]c1 ZINC001329037075 1169949850 /nfs/dbraw/zinc/94/98/50/1169949850.db2.gz PLELNUSFEKCZBX-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)CCC#N)C1(C)C ZINC001327327384 972548436 /nfs/dbraw/zinc/54/84/36/972548436.db2.gz KDPGXCQBWRVURW-DMDPSCGWSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]nc2ccc(F)cc21 ZINC001144200111 972671997 /nfs/dbraw/zinc/67/19/97/972671997.db2.gz YTSOXWGLMSSRSI-UHFFFAOYSA-N 1 0 219.263 2.320 20 30 BEEDRO C[C@@H]1CC[C@@H](CN)[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246555515 972753843 /nfs/dbraw/zinc/75/38/43/972753843.db2.gz HBAUVLWIANXTJQ-RYSNWHEDSA-N 1 0 235.375 2.128 20 30 BEEDRO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC001327841755 972756030 /nfs/dbraw/zinc/75/60/30/972756030.db2.gz ZEISUNWEEFVDQB-GHMZBOCLSA-N 1 0 249.333 2.346 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171174772 972801736 /nfs/dbraw/zinc/80/17/36/972801736.db2.gz BZCMLOBXVTUWDT-IUODEOHRSA-N 1 0 246.354 2.096 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@@H]1C ZINC001327908286 972804401 /nfs/dbraw/zinc/80/44/01/972804401.db2.gz YUSMTMJFNHYSEQ-LPEQCFEDSA-N 1 0 248.370 2.131 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171177852 972806128 /nfs/dbraw/zinc/80/61/28/972806128.db2.gz BJYBUVYCGQUHDC-GFCCVEGCSA-N 1 0 226.323 2.491 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)n1cncc1C[NH3+] ZINC001171175959 972807018 /nfs/dbraw/zinc/80/70/18/972807018.db2.gz ODUVVSXOVKOFLX-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccon1 ZINC001171179616 972811034 /nfs/dbraw/zinc/81/10/34/972811034.db2.gz VDTOMAHSGWQYTH-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(C)COC1 ZINC001171178994 972811222 /nfs/dbraw/zinc/81/12/22/972811222.db2.gz NSJAKDDZXVPXEG-LBPRGKRZSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)N(C)C(C)(C)C[NH3+] ZINC001171190843 972836515 /nfs/dbraw/zinc/83/65/15/972836515.db2.gz YMMSVPGJXFURIG-GFCCVEGCSA-N 1 0 245.370 2.158 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1CC(F)(F)C1 ZINC001328000496 972845997 /nfs/dbraw/zinc/84/59/97/972845997.db2.gz IOXPEHKCKURYAA-UHFFFAOYSA-N 1 0 213.271 2.377 20 30 BEEDRO C#CC[N@H+](CCc1cscn1)CC1CC1 ZINC001327999455 972846522 /nfs/dbraw/zinc/84/65/22/972846522.db2.gz BIYUTVDCSHPWDE-UHFFFAOYSA-N 1 0 220.341 2.031 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC([C@@H](C)OC)C2)cc1 ZINC001144578920 972869878 /nfs/dbraw/zinc/86/98/78/972869878.db2.gz SZEAGQWGDBLPRC-GFCCVEGCSA-N 1 0 229.323 2.135 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2COC)cc1 ZINC001144568391 972873614 /nfs/dbraw/zinc/87/36/14/972873614.db2.gz SZDQSSFTIJSCRQ-OAHLLOKOSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1 ZINC001144567964 972874371 /nfs/dbraw/zinc/87/43/71/972874371.db2.gz GAQZEWYWBQVJFN-MRXNPFEDSA-N 1 0 241.334 2.423 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)cc1 ZINC001144567793 972874764 /nfs/dbraw/zinc/87/47/64/972874764.db2.gz CFGFIWCPFWPANH-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC001144576118 972877754 /nfs/dbraw/zinc/87/77/54/972877754.db2.gz AJHIEDDXMJJQBD-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1 ZINC001144576480 972879656 /nfs/dbraw/zinc/87/96/56/972879656.db2.gz LICUZUQITWUMQZ-MRXNPFEDSA-N 1 0 241.334 2.423 20 30 BEEDRO C#CC1CC[NH+](Cc2ncn3ccccc23)CC1 ZINC001144625061 972892154 /nfs/dbraw/zinc/89/21/54/972892154.db2.gz BAGNLCBBACBZQW-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO COCC1C[NH+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171203289 972920351 /nfs/dbraw/zinc/92/03/51/972920351.db2.gz LCDIWCANXPTCRT-LBPRGKRZSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CC(CC#N)C1 ZINC001171203274 972920701 /nfs/dbraw/zinc/92/07/01/972920701.db2.gz KZAPPZAUKAWAFU-LBPRGKRZSA-N 1 0 239.322 2.335 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](C)C1 ZINC001171210351 972952052 /nfs/dbraw/zinc/95/20/52/972952052.db2.gz SRWWQVLHUYZXLK-QWHCGFSZSA-N 1 0 244.338 2.210 20 30 BEEDRO CC[NH+](CC)C[C@H](C)OCc1cc(C#N)ccn1 ZINC001223361762 973026401 /nfs/dbraw/zinc/02/64/01/973026401.db2.gz MZNSNAVFQZEZII-LBPRGKRZSA-N 1 0 247.342 2.200 20 30 BEEDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(C#N)cn1 ZINC000846903278 973054002 /nfs/dbraw/zinc/05/40/02/973054002.db2.gz WGFJKZFQKGEOGA-QWRGUYRKSA-N 1 0 229.327 2.477 20 30 BEEDRO C[C@@H]1C[C@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771362 973085359 /nfs/dbraw/zinc/08/53/59/973085359.db2.gz YNYBPTTXKGCVSC-IUODEOHRSA-N 1 0 243.354 2.131 20 30 BEEDRO CCCC[C@@H](CC(C)C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246833679 973129122 /nfs/dbraw/zinc/12/91/22/973129122.db2.gz GCIYFJUHJPZPEV-KGLIPLIRSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[N@@H+]1CC[C@H](O[C@@H](C#N)c2ccccc2)C1 ZINC001223710120 973231567 /nfs/dbraw/zinc/23/15/67/973231567.db2.gz UPNCTAJSLLLZAN-KBPBESRZSA-N 1 0 230.311 2.362 20 30 BEEDRO C=CCOc1ccccc1CO[C@H]1CC[N@@H+](C)C1 ZINC001223785784 973270253 /nfs/dbraw/zinc/27/02/53/973270253.db2.gz OBFYOQGAICIKEY-AWEZNQCLSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCC1(O)C[NH+](CC2(C)CCCC2)C1 ZINC000720866431 973297386 /nfs/dbraw/zinc/29/73/86/973297386.db2.gz PRYUDQZQCSQUCY-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C#CCC[N@H+]1CCc2ccc(OCC)cc2C1 ZINC001328738292 973320842 /nfs/dbraw/zinc/32/08/42/973320842.db2.gz ZQWKHQZWACWZMA-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001328804475 973354400 /nfs/dbraw/zinc/35/44/00/973354400.db2.gz WLTJBJJMDLFWQI-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C(CC)CC)C1 ZINC001328828546 973361796 /nfs/dbraw/zinc/36/17/96/973361796.db2.gz BNKDBGHABWDVTR-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CC1 ZINC001328972444 973407328 /nfs/dbraw/zinc/40/73/28/973407328.db2.gz YPTBVAITPUHKGX-UWVGGRQHSA-N 1 0 244.766 2.022 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=C)C ZINC001328994114 973416856 /nfs/dbraw/zinc/41/68/56/973416856.db2.gz BRURQZQRERCEJN-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC ZINC001328987216 973418140 /nfs/dbraw/zinc/41/81/40/973418140.db2.gz HSHOQQCCEVFQKS-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC001329103316 973484393 /nfs/dbraw/zinc/48/43/93/973484393.db2.gz JPWRDTLCBLGMRR-RYUDHWBXSA-N 1 0 240.391 2.480 20 30 BEEDRO C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C/C=C(\C)C=C ZINC001329105062 973485413 /nfs/dbraw/zinc/48/54/13/973485413.db2.gz SBRSRIQSXNLFTE-DBLGQFABSA-N 1 0 248.370 2.015 20 30 BEEDRO C=C(C)CCCO[C@H](C)C[N+](C)(C)C ZINC001224282997 973507238 /nfs/dbraw/zinc/50/72/38/973507238.db2.gz XGGBVDPDASBWTG-GFCCVEGCSA-N 1 0 200.346 2.454 20 30 BEEDRO C=CC[NH2+]CC(C)(C)CN(C)C(=O)CCC ZINC001329265980 973620991 /nfs/dbraw/zinc/62/09/91/973620991.db2.gz IXECQGSEVHPJBH-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@H](CC)C(C)(C)C ZINC001147466425 973624313 /nfs/dbraw/zinc/62/43/13/973624313.db2.gz LFRVGUZRIJLZPE-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(C#N)ccn2)C[C@H]1C ZINC001171308388 973644591 /nfs/dbraw/zinc/64/45/91/973644591.db2.gz QYVAKZPHVYYOST-IJLUTSLNSA-N 1 0 229.327 2.430 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)CC(C)C ZINC001329374881 973713455 /nfs/dbraw/zinc/71/34/55/973713455.db2.gz IASFPAYXLKTACT-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCCCC ZINC001329385199 973728943 /nfs/dbraw/zinc/72/89/43/973728943.db2.gz FFHGWVKYJWXURS-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C[N+](C)(C)CCCOC1CCC(C#N)CC1 ZINC001224619509 973801638 /nfs/dbraw/zinc/80/16/38/973801638.db2.gz OOTQHKKIFYKEOI-UHFFFAOYSA-N 1 0 225.356 2.182 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)OCCC[N+](C)(C)C ZINC001224623086 973804384 /nfs/dbraw/zinc/80/43/84/973804384.db2.gz KYWMXTUNFRKMMK-ZDUSSCGKSA-N 1 0 242.459 2.369 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H](CC)C(C)C ZINC001148316412 973830976 /nfs/dbraw/zinc/83/09/76/973830976.db2.gz RNWOWTSVDFMDOI-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CC[C@@H](C#N)C1 ZINC001224702123 973865742 /nfs/dbraw/zinc/86/57/42/973865742.db2.gz LKGDMIGNCLSCNJ-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CO[C@@H]1CC[C@H](C#N)C1 ZINC001224702125 973867311 /nfs/dbraw/zinc/86/73/11/973867311.db2.gz LKGDMIGNCLSCNJ-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CC[C@H](CC)OC[C@@H]1CCCC[N@@H+]1C ZINC001224706690 973876068 /nfs/dbraw/zinc/87/60/68/973876068.db2.gz LJGVYPBQJFRCLL-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C/C(=N\O)c1ccc(NC[C@@H]2CCCC[NH2+]2)cc1 ZINC001171337768 973888885 /nfs/dbraw/zinc/88/88/85/973888885.db2.gz AEBXMJMZMJAXNM-MPMPPSQCSA-N 1 0 247.342 2.439 20 30 BEEDRO C#CC[C@@H](CC)OCCC[NH+]1CCCC1 ZINC001224751383 973915516 /nfs/dbraw/zinc/91/55/16/973915516.db2.gz YJTLZGJNZSVYGK-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171347802 973933830 /nfs/dbraw/zinc/93/38/30/973933830.db2.gz AJTALWBECXBYPD-CABZTGNLSA-N 1 0 235.277 2.433 20 30 BEEDRO CC#CC[C@H](CC)OC[C@@H]1CCC[N@@H+]1C ZINC001224816994 973989088 /nfs/dbraw/zinc/98/90/88/973989088.db2.gz FJPWRTOPQTYUPB-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405409 974011259 /nfs/dbraw/zinc/01/12/59/974011259.db2.gz UOMCQRGIFOPBOB-LLVKDONJSA-N 1 0 205.276 2.459 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405879 974012567 /nfs/dbraw/zinc/01/25/67/974012567.db2.gz BIODWJFVNBTXFA-LBPRGKRZSA-N 1 0 217.287 2.296 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001325151649 974045148 /nfs/dbraw/zinc/04/51/48/974045148.db2.gz WXKZGIGTAVMNJL-SNVBAGLBSA-N 1 0 243.310 2.337 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)C[C@@H](C)CC)C1 ZINC001329986810 974067308 /nfs/dbraw/zinc/06/73/08/974067308.db2.gz ZYZQJLOHLZNBCV-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)C[C@@H](C)CC)C1 ZINC001329986809 974067571 /nfs/dbraw/zinc/06/75/71/974067571.db2.gz ZYZQJLOHLZNBCV-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1ccccc1C ZINC001330027518 974077553 /nfs/dbraw/zinc/07/75/53/974077553.db2.gz OMKFOIQJIIXVBU-LLVKDONJSA-N 1 0 215.300 2.343 20 30 BEEDRO C#CCCC[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171769150 974151700 /nfs/dbraw/zinc/15/17/00/974151700.db2.gz NPVOGZWMEVACFO-GFCCVEGCSA-N 1 0 217.287 2.296 20 30 BEEDRO C=CCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171777317 974164478 /nfs/dbraw/zinc/16/44/78/974164478.db2.gz MQMIJBVBWVYVIA-NSHDSACASA-N 1 0 205.276 2.459 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C=C2CCCCC2)CC1 ZINC001277013388 974178115 /nfs/dbraw/zinc/17/81/15/974178115.db2.gz MAQGDPOJEARMCU-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1cc(C)ccc1C ZINC001171941136 974225715 /nfs/dbraw/zinc/22/57/15/974225715.db2.gz RWBIAXUCESIECZ-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccn1C1CC1 ZINC001330532088 974298699 /nfs/dbraw/zinc/29/86/99/974298699.db2.gz CPYGDURRBFAHFX-LBPRGKRZSA-N 1 0 234.343 2.240 20 30 BEEDRO COC1(C[N@@H+]2CCC[C@@](C)(C#N)C2)CCC1 ZINC001330578187 974330007 /nfs/dbraw/zinc/33/00/07/974330007.db2.gz LVOQWPPXSQPDCF-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206154435 974333041 /nfs/dbraw/zinc/33/30/41/974333041.db2.gz IZVZEBHUXMFVTL-QWHCGFSZSA-N 1 0 228.355 2.494 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C[C@H](Cc1ccccc1)OC ZINC001330620284 974365499 /nfs/dbraw/zinc/36/54/99/974365499.db2.gz BOGYLLLLWUVLBX-GJZGRUSLSA-N 1 0 249.354 2.035 20 30 BEEDRO SCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172191607 974401599 /nfs/dbraw/zinc/40/15/99/974401599.db2.gz TVYSVMWCDBWOPR-SNVBAGLBSA-N 1 0 225.382 2.223 20 30 BEEDRO C[NH+](C)Cc1ccc(O[C@@H]2C=CC(=O)C2)cc1 ZINC001225332310 974409823 /nfs/dbraw/zinc/40/98/23/974409823.db2.gz KCZNETCBLBMWDX-CQSZACIVSA-N 1 0 231.295 2.025 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)C2=CCCC2)CC1 ZINC001277037605 974451819 /nfs/dbraw/zinc/45/18/19/974451819.db2.gz XRDQKCZPFLSAKN-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO CCC[N@H+](CCC#N)C1C[C@H]2CC[C@@H](C1)O2 ZINC001172227555 974462933 /nfs/dbraw/zinc/46/29/33/974462933.db2.gz BBEQPECWGRPJIG-YHWZYXNKSA-N 1 0 222.332 2.322 20 30 BEEDRO CCC[N@H+](CCC#N)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172241243 974507212 /nfs/dbraw/zinc/50/72/12/974507212.db2.gz RMHQXSQGBBZYAK-YHWZYXNKSA-N 1 0 220.316 2.098 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCOCC1 ZINC001172308883 974516930 /nfs/dbraw/zinc/51/69/30/974516930.db2.gz NYSJHRUUMUAFPT-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@@H]1C ZINC001172308564 974518045 /nfs/dbraw/zinc/51/80/45/974518045.db2.gz LGYVCZJPQWRPFU-STQMWFEESA-N 1 0 244.338 2.210 20 30 BEEDRO COC1(C)C[NH+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308816 974518555 /nfs/dbraw/zinc/51/85/55/974518555.db2.gz NPEQKIJPWCUWSG-LBPRGKRZSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC=CC1 ZINC001172309943 974519996 /nfs/dbraw/zinc/51/99/96/974519996.db2.gz YHADBXNIXAVRIM-GFCCVEGCSA-N 1 0 212.296 2.361 20 30 BEEDRO COCC1C[NH+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172309669 974520033 /nfs/dbraw/zinc/52/00/33/974520033.db2.gz VOPCMEUBLXOFCJ-LBPRGKRZSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(CC#N)C1 ZINC001172309208 974520075 /nfs/dbraw/zinc/52/00/75/974520075.db2.gz SAQBAQRRMPQHEN-LBPRGKRZSA-N 1 0 239.322 2.335 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)CCC[NH2+]CC ZINC001330884370 974522025 /nfs/dbraw/zinc/52/20/25/974522025.db2.gz VUMQOHBNUMISBL-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001172316649 974523764 /nfs/dbraw/zinc/52/37/64/974523764.db2.gz WDDFWYPNVJANMI-TUKIKUTGSA-N 1 0 226.323 2.441 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CCCC[C@H]1[NH+](C)C ZINC001330899534 974526349 /nfs/dbraw/zinc/52/63/49/974526349.db2.gz CQSQWLQUFUXJEP-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225541901 974549367 /nfs/dbraw/zinc/54/93/67/974549367.db2.gz AUNVKSPPTQUEAP-SECBINFHSA-N 1 0 220.272 2.138 20 30 BEEDRO CC1(C)C[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)CO1 ZINC001172289473 974555346 /nfs/dbraw/zinc/55/53/46/974555346.db2.gz XHYMQQOUQFHPER-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCS ZINC001172290824 974557397 /nfs/dbraw/zinc/55/73/97/974557397.db2.gz SIEAYIZZSCIMMQ-SNVBAGLBSA-N 1 0 220.341 2.009 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC(C)(C)O ZINC001172294115 974561836 /nfs/dbraw/zinc/56/18/36/974561836.db2.gz FVNFQDHDPHTABM-LBPRGKRZSA-N 1 0 246.354 2.240 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H]1CCCOC1 ZINC001172295444 974563165 /nfs/dbraw/zinc/56/31/65/974563165.db2.gz RUDAKZPARQJECP-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCCOC1 ZINC001172295447 974564430 /nfs/dbraw/zinc/56/44/30/974564430.db2.gz RUDAKZPARQJECP-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+]1C=C(N)C=CC1 ZINC001172299809 974567166 /nfs/dbraw/zinc/56/71/66/974567166.db2.gz OFQUJCBIPLYWAP-LBPRGKRZSA-N 1 0 239.322 2.161 20 30 BEEDRO C#CCN(Cc1nc2c(o1)CCCC2)CC1CC1 ZINC001331110813 974603728 /nfs/dbraw/zinc/60/37/28/974603728.db2.gz RNOATNRNBMEZDK-UHFFFAOYSA-N 1 0 244.338 2.399 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+][C@H](CO)[C@@H](C)O ZINC001172359019 974628785 /nfs/dbraw/zinc/62/87/85/974628785.db2.gz HQVZUVJFSMYQEQ-MGPQQGTHSA-N 1 0 245.407 2.457 20 30 BEEDRO COc1ccc(C#N)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225688841 974644366 /nfs/dbraw/zinc/64/43/66/974644366.db2.gz IVGBWHALHJRAFL-NSHDSACASA-N 1 0 249.334 2.040 20 30 BEEDRO CCOCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC001172413866 974680293 /nfs/dbraw/zinc/68/02/93/974680293.db2.gz KVAYCLNZBKJJFB-AWEZNQCLSA-N 1 0 231.339 2.443 20 30 BEEDRO CCOCC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC001172414807 974683235 /nfs/dbraw/zinc/68/32/35/974683235.db2.gz HPAHLHXONLFVQN-JTQLQIEISA-N 1 0 222.288 2.056 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)F ZINC001331370936 974699241 /nfs/dbraw/zinc/69/92/41/974699241.db2.gz IJZKMWUWIJZLPO-LLVKDONJSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC(C)(C)C ZINC001331385106 974703121 /nfs/dbraw/zinc/70/31/21/974703121.db2.gz DOMFAOLSELNMDA-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)CCOCC)C1 ZINC001172429566 974709283 /nfs/dbraw/zinc/70/92/83/974709283.db2.gz ARSLIQIFOIIASK-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)/C(C)=C\C ZINC001331421654 974716616 /nfs/dbraw/zinc/71/66/16/974716616.db2.gz LGFMPVIZYLALPB-DHHDDZJSSA-N 1 0 244.766 2.142 20 30 BEEDRO C#CC[N@@H+](C[C@H](OCC)C1CC1)CC1CC1 ZINC001331570389 974765316 /nfs/dbraw/zinc/76/53/16/974765316.db2.gz JLKOMIGQDRYYLQ-AWEZNQCLSA-N 1 0 221.344 2.147 20 30 BEEDRO Cc1cc(C)n(CC[NH2+][C@H](C)CCCC#N)n1 ZINC001172477083 974774139 /nfs/dbraw/zinc/77/41/39/974774139.db2.gz VDWXXKFXHNVVOU-LLVKDONJSA-N 1 0 234.347 2.172 20 30 BEEDRO COC[C@@H]([NH2+][C@@H](C)CCCC#N)C(C)C ZINC001172477225 974774497 /nfs/dbraw/zinc/77/44/97/974774497.db2.gz XHQCKBAIFIWBQD-NWDGAFQWSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H](CCCC#N)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001172477344 974775081 /nfs/dbraw/zinc/77/50/81/974775081.db2.gz YKIYWTIQTMQZFN-TZMCWYRMSA-N 1 0 243.354 2.459 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccccn1 ZINC001172477271 974775157 /nfs/dbraw/zinc/77/51/57/974775157.db2.gz YGCANFJTMFJWJE-NSHDSACASA-N 1 0 203.289 2.254 20 30 BEEDRO COC(=O)CCCCC[NH2+][C@H](C)CCCC#N ZINC001172478115 974776901 /nfs/dbraw/zinc/77/69/01/974776901.db2.gz BQUWPWVQGLBTIG-GFCCVEGCSA-N 1 0 240.347 2.392 20 30 BEEDRO CCOC(=O)C[C@H](C)[NH2+][C@H](C)CCCC#N ZINC001172478838 974777313 /nfs/dbraw/zinc/77/73/13/974777313.db2.gz HYBMNXNNVJJQEU-MNOVXSKESA-N 1 0 226.320 2.000 20 30 BEEDRO CCCC[C@@H](CO)[NH2+][C@H](C)CCCC#N ZINC001172480954 974781494 /nfs/dbraw/zinc/78/14/94/974781494.db2.gz YKJGYZFCDVVLJZ-NEPJUHHUSA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CCCOC1 ZINC001172481688 974781814 /nfs/dbraw/zinc/78/18/14/974781814.db2.gz WTFXMKNKESHKJT-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1(c2cnn(C)c2)CC1 ZINC001172480921 974782179 /nfs/dbraw/zinc/78/21/79/974782179.db2.gz XSFOFGVZKHMULV-NSHDSACASA-N 1 0 232.331 2.081 20 30 BEEDRO COc1ccc(C[NH2+][C@@H](C)CCCC#N)nc1 ZINC001172482895 974783722 /nfs/dbraw/zinc/78/37/22/974783722.db2.gz AVOLIIYBEGDZCJ-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2nc(C)cc(C)c2C#N)C1 ZINC001226090861 974784107 /nfs/dbraw/zinc/78/41/07/974784107.db2.gz MGGLLPAJGASJOD-LBPRGKRZSA-N 1 0 245.326 2.043 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2nc(C)cc(C)c2C#N)C1 ZINC001226090860 974785122 /nfs/dbraw/zinc/78/51/22/974785122.db2.gz MGGLLPAJGASJOD-GFCCVEGCSA-N 1 0 245.326 2.043 20 30 BEEDRO C[C@@H](CCCC#N)NC(=[NH2+])c1ccc(F)cn1 ZINC001172483487 974785465 /nfs/dbraw/zinc/78/54/65/974785465.db2.gz QTVIEPLSPSIXAN-VIFPVBQESA-N 1 0 234.278 2.008 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1(c2cccnn2)CC1 ZINC001172483040 974785558 /nfs/dbraw/zinc/78/55/58/974785558.db2.gz MJCHASGVYFAWQR-NSHDSACASA-N 1 0 230.315 2.138 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CC(C)(C)O1 ZINC001172483993 974786674 /nfs/dbraw/zinc/78/66/74/974786674.db2.gz WTKCGZLYHDFILD-QWRGUYRKSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)CCCC#N ZINC001172483537 974787061 /nfs/dbraw/zinc/78/70/61/974787061.db2.gz RVYGQGANDFCMHS-NWDGAFQWSA-N 1 0 232.331 2.080 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC001172485367 974788211 /nfs/dbraw/zinc/78/82/11/974788211.db2.gz PADCDQCODBOCOT-FRRDWIJNSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccnc(F)c1 ZINC001172484366 974789188 /nfs/dbraw/zinc/78/91/88/974789188.db2.gz DKJGEGSEFBLSGG-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001172486619 974791188 /nfs/dbraw/zinc/79/11/88/974791188.db2.gz GNSQHGYPOADTQR-GRYCIOLGSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[NH+]1CCC(Oc2cccc(/C=N/O)c2)CC1 ZINC001226114971 974796253 /nfs/dbraw/zinc/79/62/53/974796253.db2.gz UOVUKQBMBSFADM-RVDMUPIBSA-N 1 0 248.326 2.358 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)[C@@H](C)CC)CC1 ZINC001226144914 974806537 /nfs/dbraw/zinc/80/65/37/974806537.db2.gz LNYMDCYRECQEHW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]CCCCC#N ZINC001172449237 974812511 /nfs/dbraw/zinc/81/25/11/974812511.db2.gz QRXVJZPDMCCWBO-GFCCVEGCSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001172490958 974836450 /nfs/dbraw/zinc/83/64/50/974836450.db2.gz AZQRUCCFSRBVCX-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO COC1CC(C[NH2+][C@@H](C)CCCC#N)C1 ZINC001172490641 974838152 /nfs/dbraw/zinc/83/81/52/974838152.db2.gz JMPZKVYFNLZACE-UNXYVOJBSA-N 1 0 210.321 2.083 20 30 BEEDRO COc1cccc(C#N)c1O[C@H](C)C[N+](C)(C)C ZINC001226250465 974838847 /nfs/dbraw/zinc/83/88/47/974838847.db2.gz MSALOGUQBKQDNH-LLVKDONJSA-N 1 0 249.334 2.040 20 30 BEEDRO C[C@@H](CCCC#N)n1c(C[NH3+])nc2cnccc21 ZINC001172491785 974838994 /nfs/dbraw/zinc/83/89/94/974838994.db2.gz JJJDYOBCEOJTFH-JTQLQIEISA-N 1 0 243.314 2.145 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cncn1CCF ZINC001172492657 974839267 /nfs/dbraw/zinc/83/92/67/974839267.db2.gz NHKZHJNTZMTIEQ-NSHDSACASA-N 1 0 238.310 2.025 20 30 BEEDRO COC1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172492048 974839521 /nfs/dbraw/zinc/83/95/21/974839521.db2.gz IVMMGJCVDSREIJ-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172492150 974840085 /nfs/dbraw/zinc/84/00/85/974840085.db2.gz JBAQGTOHYBRKBY-QWRGUYRKSA-N 1 0 246.301 2.018 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H](CO)c1ccccc1 ZINC001172493455 974841777 /nfs/dbraw/zinc/84/17/77/974841777.db2.gz ZXWNCWFURXHLRV-HIFRSBDPSA-N 1 0 246.354 2.434 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCO[C@H](C)C1 ZINC001172493933 974842207 /nfs/dbraw/zinc/84/22/07/974842207.db2.gz POBDWJFFZVHWDA-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1(O)CCCCC1 ZINC001172493547 974842557 /nfs/dbraw/zinc/84/25/57/974842557.db2.gz UXMVLSZUHDIFHN-LBPRGKRZSA-N 1 0 224.348 2.354 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCO[C@@H](C)C1 ZINC001172493932 974842823 /nfs/dbraw/zinc/84/28/23/974842823.db2.gz POBDWJFFZVHWDA-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001172498350 974847804 /nfs/dbraw/zinc/84/78/04/974847804.db2.gz LXLZXGZQAFSVNZ-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCOC[C@H]1C1CC1 ZINC001172498355 974848246 /nfs/dbraw/zinc/84/82/46/974848246.db2.gz LXLZXGZQAFSVNZ-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001172496728 974849050 /nfs/dbraw/zinc/84/90/50/974849050.db2.gz PLPCRESQGWBOIO-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001172496839 974849209 /nfs/dbraw/zinc/84/92/09/974849209.db2.gz SABWVEIWDAJEDC-BJDJZHNGSA-N 1 0 210.296 2.359 20 30 BEEDRO CC(C)[C@H]1C[N@@H+]([C@@H](C)CCCC#N)CCO1 ZINC001172497752 974849334 /nfs/dbraw/zinc/84/93/34/974849334.db2.gz FKVHQQOOCZTWFO-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1[C@H](C)CCCC#N ZINC001172499234 974850763 /nfs/dbraw/zinc/85/07/63/974850763.db2.gz CAICJSQTTBWAOA-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001172499384 974851351 /nfs/dbraw/zinc/85/13/51/974851351.db2.gz WOPZIDVEJMARCD-NEPJUHHUSA-N 1 0 224.348 2.304 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172502321 974857717 /nfs/dbraw/zinc/85/77/17/974857717.db2.gz UJSDFKAYPRFCFM-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)CCc1cccnc1 ZINC001331907758 974858768 /nfs/dbraw/zinc/85/87/68/974858768.db2.gz MGYLYBCTQWAZMP-JSGCOSHPSA-N 1 0 234.343 2.193 20 30 BEEDRO CCC[NH+]1C[C@@H]2C[NH+]([C@H](C)CCCC#N)C[C@H]2C1 ZINC001172508091 974863261 /nfs/dbraw/zinc/86/32/61/974863261.db2.gz BDSSJTONJVFYNE-RBSFLKMASA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC001172507052 974863632 /nfs/dbraw/zinc/86/36/32/974863632.db2.gz ODXMAKANAYQNJA-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO CCOC(=O)C[N@H+]([C@H](C)CCCC#N)C1CC1 ZINC001172510237 974865762 /nfs/dbraw/zinc/86/57/62/974865762.db2.gz YAKWUIHRYLBAKO-LLVKDONJSA-N 1 0 238.331 2.096 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172748785 974922010 /nfs/dbraw/zinc/92/20/10/974922010.db2.gz WIANETFLCDHNTB-LBPRGKRZSA-N 1 0 225.332 2.110 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]CC(C)(C)S)C1 ZINC001172606122 974885792 /nfs/dbraw/zinc/88/57/92/974885792.db2.gz QDAATSFAIAHJEW-ZJUUUORDSA-N 1 0 245.388 2.016 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC=C)C1 ZINC001331956123 974887902 /nfs/dbraw/zinc/88/79/02/974887902.db2.gz ARSKHDAUJFVBQB-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172614808 974888853 /nfs/dbraw/zinc/88/88/53/974888853.db2.gz DWCLEPBCMNEZPS-QWHCGFSZSA-N 1 0 237.343 2.392 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC001172630497 974893263 /nfs/dbraw/zinc/89/32/63/974893263.db2.gz NUZBFEXSLLBTMV-RDBSUJKOSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(C#N)ccn1 ZINC001331965986 974894177 /nfs/dbraw/zinc/89/41/77/974894177.db2.gz QTQFXXBZAIJFIF-JBLDHEPKSA-N 1 0 215.300 2.402 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CC(C)(C)OC(C)(C)C1 ZINC001172650385 974895003 /nfs/dbraw/zinc/89/50/03/974895003.db2.gz MIDZLPXCBZMEFE-SNVBAGLBSA-N 1 0 209.333 2.334 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC=CC2)C1 ZINC001331970396 974896792 /nfs/dbraw/zinc/89/67/92/974896792.db2.gz NHHIWTWFSSRATB-GXTWGEPZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172748724 974921923 /nfs/dbraw/zinc/92/19/23/974921923.db2.gz VKXXEFVVSJGSEX-LLVKDONJSA-N 1 0 213.321 2.272 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001336811190 1169983114 /nfs/dbraw/zinc/98/31/14/1169983114.db2.gz MOEPIGGMMDJZAM-HUUCEWRRSA-N 1 0 231.339 2.420 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172766165 974932835 /nfs/dbraw/zinc/93/28/35/974932835.db2.gz KRILWWUXVLBVDK-STQMWFEESA-N 1 0 237.343 2.111 20 30 BEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CCCS ZINC001172761401 974934507 /nfs/dbraw/zinc/93/45/07/974934507.db2.gz RAWRWBKDBXBNAS-SNVBAGLBSA-N 1 0 233.377 2.016 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1c(O)cccc1C#N ZINC001226517892 974939795 /nfs/dbraw/zinc/93/97/95/974939795.db2.gz LQIPHGOZUHYMAY-LLVKDONJSA-N 1 0 248.326 2.373 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172833669 974949167 /nfs/dbraw/zinc/94/91/67/974949167.db2.gz AIJKJUTZFYRZFI-SWLSCSKDSA-N 1 0 213.324 2.464 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)nc2)C1 ZINC001172926634 974971523 /nfs/dbraw/zinc/97/15/23/974971523.db2.gz CEBIELKIRLTMSX-JSGCOSHPSA-N 1 0 245.326 2.000 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC001172924952 974971582 /nfs/dbraw/zinc/97/15/82/974971582.db2.gz BNOAJUDNKBCPOK-MNOVXSKESA-N 1 0 234.299 2.198 20 30 BEEDRO N#C[C@@H](Oc1cc[nH+]c(N)c1)c1ccccc1F ZINC001226653599 974998565 /nfs/dbraw/zinc/99/85/65/974998565.db2.gz MQFLVRJAALZCFK-GFCCVEGCSA-N 1 0 243.241 2.447 20 30 BEEDRO Cc1ccccc1NC(=[NH2+])NCc1cccnc1 ZINC000170905021 975009532 /nfs/dbraw/zinc/00/95/32/975009532.db2.gz JFLYXQMUDXJBHT-UHFFFAOYSA-N 1 0 240.310 2.317 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCN(C)C(=O)OC(C)(C)C ZINC001172952200 975011360 /nfs/dbraw/zinc/01/13/60/975011360.db2.gz ZSVFMZXFSKTJJJ-NSHDSACASA-N 1 0 242.363 2.408 20 30 BEEDRO CC[NH+](CC)C1CCC(NC2(C#N)CC2)CC1 ZINC001173105416 975027000 /nfs/dbraw/zinc/02/70/00/975027000.db2.gz SWIAFQNEDIXHKO-UHFFFAOYSA-N 1 0 235.375 2.285 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173124226 975034014 /nfs/dbraw/zinc/03/40/14/975034014.db2.gz MNFMZJMUXWTNGI-SNVBAGLBSA-N 1 0 235.356 2.284 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173124800 975034453 /nfs/dbraw/zinc/03/44/53/975034453.db2.gz UNHKKHNTTMFDGM-SECBINFHSA-N 1 0 208.330 2.166 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173127814 975037929 /nfs/dbraw/zinc/03/79/29/975037929.db2.gz DAWYDVAMKJHWEV-NXEZZACHSA-N 1 0 235.356 2.282 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCc2ncsc2C1 ZINC001173128290 975038686 /nfs/dbraw/zinc/03/86/86/975038686.db2.gz LFTUYWGUUYEQEV-GWCFXTLKSA-N 1 0 234.368 2.392 20 30 BEEDRO C=C(C)C[NH2+][C@H]1COc2cccc(OC)c2C1 ZINC001173143582 975044259 /nfs/dbraw/zinc/04/42/59/975044259.db2.gz AVYUARYXAOQNMU-LLVKDONJSA-N 1 0 233.311 2.164 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001173143308 975046376 /nfs/dbraw/zinc/04/63/76/975046376.db2.gz LOSLDAZVCPMNQB-RYUDHWBXSA-N 1 0 246.379 2.346 20 30 BEEDRO C=CCCCCCC[NH2+]C12CC(C(N)=O)(C1)C2 ZINC001277153875 975066708 /nfs/dbraw/zinc/06/67/08/975066708.db2.gz YTAPINSLKNIHAZ-UHFFFAOYSA-N 1 0 236.359 2.121 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220365 975073705 /nfs/dbraw/zinc/07/37/05/975073705.db2.gz ZEZXTVBYLZJVCF-QWRGUYRKSA-N 1 0 232.283 2.137 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001095088084 975088178 /nfs/dbraw/zinc/08/81/78/975088178.db2.gz OQRDSXIKOARXHE-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC001173267313 975131873 /nfs/dbraw/zinc/13/18/73/975131873.db2.gz RDEAQZYKXTYXCX-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO CCCCCCN(O)C(=O)[C@@H](C)n1ccnc1 ZINC001332492682 975169190 /nfs/dbraw/zinc/16/91/90/975169190.db2.gz KATCPBOATRTXKP-LLVKDONJSA-N 1 0 239.319 2.242 20 30 BEEDRO CCCCCCN(O)C(=O)[C@H](C)n1ccnc1 ZINC001332492683 975171201 /nfs/dbraw/zinc/17/12/01/975171201.db2.gz KATCPBOATRTXKP-NSHDSACASA-N 1 0 239.319 2.242 20 30 BEEDRO C=CCOC1CCC(n2ccnc2CC[NH3+])CC1 ZINC001173313503 975224791 /nfs/dbraw/zinc/22/47/91/975224791.db2.gz YVPMUJUPPTTZEO-UHFFFAOYSA-N 1 0 249.358 2.071 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cccnn2)CC1 ZINC001173313442 975225876 /nfs/dbraw/zinc/22/58/76/975225876.db2.gz XIFPTGXOJRJRQO-UHFFFAOYSA-N 1 0 247.342 2.080 20 30 BEEDRO C=CCOC1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC001173322014 975266812 /nfs/dbraw/zinc/26/68/12/975266812.db2.gz VDJYXNFUSNSUAF-HSBZDZAISA-N 1 0 239.359 2.221 20 30 BEEDRO C#CC[C@H](CO)[NH2+]CCc1ccc(C(C)C)cc1 ZINC001332717725 975269151 /nfs/dbraw/zinc/26/91/51/975269151.db2.gz NATQLUQQRDSDLF-MRXNPFEDSA-N 1 0 245.366 2.326 20 30 BEEDRO CCOCC[NH2+]C1CCC(CC#N)CC1 ZINC001173324001 975270549 /nfs/dbraw/zinc/27/05/49/975270549.db2.gz FNPZVUIUTNPRAR-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCOC1CCC([N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001173323731 975270685 /nfs/dbraw/zinc/27/06/85/975270685.db2.gz FVVVJVMSWSKUBY-HSBZDZAISA-N 1 0 234.343 2.346 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@@H]2CCCO2)CC1 ZINC001173325871 975274156 /nfs/dbraw/zinc/27/41/56/975274156.db2.gz RSCIRJMJFMBPGC-BPCQOVAHSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC1CCC([NH2+]C2(CO)CCCC2)CC1 ZINC001173328042 975276723 /nfs/dbraw/zinc/27/67/23/975276723.db2.gz MSRUMZHLXRZGPK-UHFFFAOYSA-N 1 0 236.359 2.354 20 30 BEEDRO C[C@H]1CC[C@@H](CO)[N@@H+]1C1CCC(CC#N)CC1 ZINC001173330463 975279929 /nfs/dbraw/zinc/27/99/29/975279929.db2.gz ACIMBBDCAGSCBQ-ABXWRUBCSA-N 1 0 236.359 2.304 20 30 BEEDRO N#CCC1CCC([NH2+][C@@H]2CCOC[C@@H]2F)CC1 ZINC001173329900 975280079 /nfs/dbraw/zinc/28/00/79/975280079.db2.gz LFVINMPGZYRYLP-IFWUJCSASA-N 1 0 240.322 2.175 20 30 BEEDRO N#CCC1CCC([N@@H+]2CCCOCC2)CC1 ZINC001173332681 975282496 /nfs/dbraw/zinc/28/24/96/975282496.db2.gz QYCIZGMHFRBRPA-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO CN1CC[C@@H]([N@H+](C)C2CCC(CC#N)CC2)C1 ZINC001173339852 975284579 /nfs/dbraw/zinc/28/45/79/975284579.db2.gz VMSDWHLZRXMKIT-JXQTWKCFSA-N 1 0 235.375 2.095 20 30 BEEDRO CN(C)C[C@@H]1CCC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173339156 975284793 /nfs/dbraw/zinc/28/47/93/975284793.db2.gz NAKGFEZLRVSFJP-NRXISQOPSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N[C@H](C#N)c2ccc(F)cc2)C1 ZINC001173350326 975295126 /nfs/dbraw/zinc/29/51/26/975295126.db2.gz LCNUKJUZERYDHN-ZIAGYGMSSA-N 1 0 247.317 2.074 20 30 BEEDRO C=CCOC1CCC([NH2+]CC2CSC2)CC1 ZINC001173315894 975302862 /nfs/dbraw/zinc/30/28/62/975302862.db2.gz SFHMGYLWGOGGSC-UHFFFAOYSA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCOC1CCC([NH2+]CC[C@@H](C)CO)CC1 ZINC001173316943 975304198 /nfs/dbraw/zinc/30/41/98/975304198.db2.gz PDUKGKXMZUWFEN-IYXRBSQSSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)CC(C)(C)C#N ZINC001332881880 975306437 /nfs/dbraw/zinc/30/64/37/975306437.db2.gz UFCFRRTWLIHHFT-GHMZBOCLSA-N 1 0 210.321 2.105 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC001332879815 975306649 /nfs/dbraw/zinc/30/66/49/975306649.db2.gz CRBLFODEKYYVSK-SKDRFNHKSA-N 1 0 239.290 2.383 20 30 BEEDRO C=CCOC1CCC([NH+]2CC(COC)C2)CC1 ZINC001173319622 975307349 /nfs/dbraw/zinc/30/73/49/975307349.db2.gz PBFJBWYCRQUTCS-UHFFFAOYSA-N 1 0 239.359 2.078 20 30 BEEDRO CCN1CC[C@H](NC(=[NH2+])c2ccc(C)c(C)c2)C1 ZINC001173356008 975311354 /nfs/dbraw/zinc/31/13/54/975311354.db2.gz AWGJNLWIRTZCRT-AWEZNQCLSA-N 1 0 245.370 2.103 20 30 BEEDRO CCN1CC[C@H]([NH2+]C23CCC(C#N)(CC2)CC3)C1 ZINC001173355378 975311949 /nfs/dbraw/zinc/31/19/49/975311949.db2.gz PSFXOUQGZHFXFF-NFOMZHRRSA-N 1 0 247.386 2.287 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001332946438 975337727 /nfs/dbraw/zinc/33/77/27/975337727.db2.gz MRYIKIQQLQVQDB-CYBMUJFWSA-N 1 0 230.311 2.459 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC001332991834 975358953 /nfs/dbraw/zinc/35/89/53/975358953.db2.gz FKILMCFVVRWFKH-QWHCGFSZSA-N 1 0 222.332 2.203 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C#N)ccc1O ZINC001227346976 975368015 /nfs/dbraw/zinc/36/80/15/975368015.db2.gz YMCBERRFGVWGQT-LLVKDONJSA-N 1 0 248.326 2.373 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)C[C@@H]2C[C@H]2CC)n1 ZINC001333016691 975368287 /nfs/dbraw/zinc/36/82/87/975368287.db2.gz JRZDTBIXLVLCSE-KGLIPLIRSA-N 1 0 245.370 2.384 20 30 BEEDRO C#CC1([NH2+]C2Cc3cc(F)c(F)cc3C2)CC1 ZINC001173479123 975382945 /nfs/dbraw/zinc/38/29/45/975382945.db2.gz ZGKMCBRDZPERFW-UHFFFAOYSA-N 1 0 233.261 2.187 20 30 BEEDRO N#CC1(C[NH2+]C2([C@H]3CCCCO3)CCC2)CC1 ZINC001333053849 975385519 /nfs/dbraw/zinc/38/55/19/975385519.db2.gz QJXIATNKILOYEE-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO N#CC1(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)CC1 ZINC001333052557 975386973 /nfs/dbraw/zinc/38/69/73/975386973.db2.gz BZOROWVURYCXCY-TXEJJXNPSA-N 1 0 202.301 2.188 20 30 BEEDRO CC[N@H+](CCC#N)[C@H](C)CCCCC(=O)OC ZINC001173455857 975393512 /nfs/dbraw/zinc/39/35/12/975393512.db2.gz VQHGZOYLOTXDFR-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001173586127 975425870 /nfs/dbraw/zinc/42/58/70/975425870.db2.gz IMLURSAHAVBKJZ-UHFFFAOYSA-N 1 0 220.316 2.028 20 30 BEEDRO CCC1(C[NH2+]C2CCC(C)(C#N)CC2)COC1 ZINC001173586490 975429910 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975525989 /nfs/dbraw/zinc/52/59/89/975525989.db2.gz PDOPWJWPEWSZJH-LBPRGKRZSA-N 1 0 245.322 2.017 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CC1(C)C ZINC001333221231 975577006 /nfs/dbraw/zinc/57/70/06/975577006.db2.gz SIICAQNRXFRBAV-JOYOIKCWSA-N 1 0 244.766 2.009 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2(C(N)=O)C1 ZINC001277230060 975589702 /nfs/dbraw/zinc/58/97/02/975589702.db2.gz AVJODLOQFLRNGV-TZMCWYRMSA-N 1 0 238.375 2.154 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1csnn1 ZINC001333369895 975719124 /nfs/dbraw/zinc/71/91/24/975719124.db2.gz XROKTHLZETUOSE-VIFPVBQESA-N 1 0 211.334 2.373 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C(C)(C)CC=C)CC1 ZINC001344941716 1169993783 /nfs/dbraw/zinc/99/37/83/1169993783.db2.gz AZQFXLHPPAZTKE-UHFFFAOYSA-N 1 0 249.354 2.230 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001333486797 975809506 /nfs/dbraw/zinc/80/95/06/975809506.db2.gz PVSLIXXQTNORNS-IVZWLZJFSA-N 1 0 235.249 2.050 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC 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/nfs/dbraw/zinc/03/59/82/976035982.db2.gz MGHKKNIMXVBDHE-UHFFFAOYSA-N 1 0 242.282 2.351 20 30 BEEDRO Cc1ccnc(O[C@@H]2CC[N@@H+](C(C)C)C2)c1C#N ZINC001228304559 976089343 /nfs/dbraw/zinc/08/93/43/976089343.db2.gz FMDXFKNQPRJNIJ-GFCCVEGCSA-N 1 0 245.326 2.123 20 30 BEEDRO Cc1ccnc(O[C@H]2CCC[N@@H+](C)CC2)c1C#N ZINC001228304720 976089439 /nfs/dbraw/zinc/08/94/39/976089439.db2.gz HKEQSHHCDYETRO-LBPRGKRZSA-N 1 0 245.326 2.125 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CCC1)C2 ZINC001095267441 976099469 /nfs/dbraw/zinc/09/94/69/976099469.db2.gz BPPRGBYNJXCZQC-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccn1C1CC1 ZINC001333839147 976117756 /nfs/dbraw/zinc/11/77/56/976117756.db2.gz ZJBSAOABYWROOA-UHFFFAOYSA-N 1 0 220.316 2.115 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Nc2nc(C)c(C)s2)C1 ZINC001333959798 976185078 /nfs/dbraw/zinc/18/50/78/976185078.db2.gz MVELNUDKCCKZRU-GFCCVEGCSA-N 1 0 249.383 2.269 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H](C)C(C)C ZINC001277314796 976351599 /nfs/dbraw/zinc/35/15/99/976351599.db2.gz RYDYCGWJAIOUCR-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO CNc1cc(NCC2CCC(C#N)CC2)ncn1 ZINC001334219050 976388173 /nfs/dbraw/zinc/38/81/73/976388173.db2.gz YNZXEBRERKGBRL-UHFFFAOYSA-N 1 0 245.330 2.260 20 30 BEEDRO C=C(Cl)C[N@@H+](CCC(=O)OCC)C(C)C ZINC000847087891 1170001278 /nfs/dbraw/zinc/00/12/78/1170001278.db2.gz ZWOLXSDGPHTTIE-UHFFFAOYSA-N 1 0 233.739 2.403 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@@H]1CCN(C2CC2)C1=O ZINC001334693613 976572646 /nfs/dbraw/zinc/57/26/46/976572646.db2.gz XLFYOIFHJROQOC-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO Cc1ccccc1[C@H]([NH2+]C[C@H](O)CC#N)C1CC1 ZINC001334658883 976581401 /nfs/dbraw/zinc/58/14/01/976581401.db2.gz ABTCYLXHAMGPTD-UKRRQHHQSA-N 1 0 244.338 2.310 20 30 BEEDRO C#CCC1([NH2+]Cc2ncccc2C)CCOCC1 ZINC001353362060 1170004397 /nfs/dbraw/zinc/00/43/97/1170004397.db2.gz UEDIPYOIQLWCQL-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO C[C@H](CS)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228944992 976600413 /nfs/dbraw/zinc/60/04/13/976600413.db2.gz RAXMGHDLTRUUPO-SNVBAGLBSA-N 1 0 237.368 2.372 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001334871173 976758876 /nfs/dbraw/zinc/75/88/76/976758876.db2.gz PFUUSUVENATNBK-ZSBIGDGJSA-N 1 0 245.313 2.412 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]C(C)C ZINC001480515635 1170007536 /nfs/dbraw/zinc/00/75/36/1170007536.db2.gz IFOVQTOZWMKEQE-NSHDSACASA-N 1 0 226.364 2.091 20 30 BEEDRO Cc1cccc(C#N)c1O[C@H](C)C[N+](C)(C)C ZINC001229180671 976789675 /nfs/dbraw/zinc/78/96/75/976789675.db2.gz ALHDPCDXHFXBEI-GFCCVEGCSA-N 1 0 233.335 2.340 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1ccccc1/C=N/N ZINC001229285450 976811948 /nfs/dbraw/zinc/81/19/48/976811948.db2.gz IFDJCSNFNGHFIG-HMHNVIDESA-N 1 0 249.358 2.088 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccc(C#N)cc1 ZINC001174537280 976821498 /nfs/dbraw/zinc/82/14/98/976821498.db2.gz AVVCOEHCEWMBME-UHFFFAOYSA-N 1 0 209.252 2.427 20 30 BEEDRO C=CCc1ccc(O)c(O[C@H](C)C[NH+](C)C)c1 ZINC001229338990 976838675 /nfs/dbraw/zinc/83/86/75/976838675.db2.gz SICANRJJKCKEBR-LLVKDONJSA-N 1 0 235.327 2.450 20 30 BEEDRO C=CC(C)(C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001335217430 976889774 /nfs/dbraw/zinc/88/97/74/976889774.db2.gz WPVQWSSJKCZTRS-UHFFFAOYSA-N 1 0 246.354 2.443 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnc(OC)c1F ZINC001335237345 976892414 /nfs/dbraw/zinc/89/24/14/976892414.db2.gz JZJHRNNPUDLPMP-UHFFFAOYSA-N 1 0 236.290 2.122 20 30 BEEDRO Cc1c[nH+]ccc1Nc1cccc(C#N)n1 ZINC000259840001 976892862 /nfs/dbraw/zinc/89/28/62/976892862.db2.gz YLDFGQSLOJRTKJ-UHFFFAOYSA-N 1 0 210.240 2.400 20 30 BEEDRO C#C[C@@H](C)Oc1ccccc1C[NH+](C)C ZINC001229699257 976949171 /nfs/dbraw/zinc/94/91/71/976949171.db2.gz LWIMFRNUXASNOQ-LLVKDONJSA-N 1 0 203.285 2.149 20 30 BEEDRO CC(C)(C)OCCC[NH2+]C[C@@H](C#N)CCC#N ZINC001335318954 976958256 /nfs/dbraw/zinc/95/82/56/976958256.db2.gz ZRKVIYMRVCBGCY-GFCCVEGCSA-N 1 0 237.347 2.225 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@@H](C)C[NH+](C)C ZINC001229737067 976967706 /nfs/dbraw/zinc/96/77/06/976967706.db2.gz PBWWEOBSFLGWMZ-AYDSOBSRSA-N 1 0 236.315 2.214 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1(C)CC1 ZINC001335334955 976975218 /nfs/dbraw/zinc/97/52/18/976975218.db2.gz WWBQZIVJXBNEBP-QWRGUYRKSA-N 1 0 224.348 2.065 20 30 BEEDRO C#CCC[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001335422452 977047495 /nfs/dbraw/zinc/04/74/95/977047495.db2.gz RGVUKBKWIFWRGO-LBPRGKRZSA-N 1 0 241.693 2.125 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001335441230 977058426 /nfs/dbraw/zinc/05/84/26/977058426.db2.gz NPBDAWJMWXVLPK-UKRRQHHQSA-N 1 0 231.339 2.035 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc(C#N)n2)C1 ZINC001230043590 977105491 /nfs/dbraw/zinc/10/54/91/977105491.db2.gz NROFOXGHEQFNJY-ZDUSSCGKSA-N 1 0 245.326 2.205 20 30 BEEDRO C#CC[N@H+](Cc1cnc2ccc(C)cn12)C(C)C ZINC001335565616 977144754 /nfs/dbraw/zinc/14/47/54/977144754.db2.gz KMUHGSUTNLHWFW-UHFFFAOYSA-N 1 0 241.338 2.486 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC ZINC001230551345 977236593 /nfs/dbraw/zinc/23/65/93/977236593.db2.gz DDTDEIRSCYBNOX-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cncc(C#N)c1 ZINC000721558789 977266987 /nfs/dbraw/zinc/26/69/87/977266987.db2.gz JNSGMYSHAKQTHO-MRVPVSSYSA-N 1 0 243.232 2.384 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCCCO1 ZINC001335898367 977353580 /nfs/dbraw/zinc/35/35/80/977353580.db2.gz QYBITPPUHVDLDU-MELADBBJSA-N 1 0 249.358 2.367 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC001175292277 977355609 /nfs/dbraw/zinc/35/56/09/977355609.db2.gz DQMDEWDAGFLQAZ-JSGCOSHPSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001335936577 977375318 /nfs/dbraw/zinc/37/53/18/977375318.db2.gz PYKGXDFIKXIWLD-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC001335952314 977381794 /nfs/dbraw/zinc/38/17/94/977381794.db2.gz SCRQHNORCUVWMG-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1C 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ZINC001338020096 978590914 /nfs/dbraw/zinc/59/09/14/978590914.db2.gz KQNVZFHUEUVOGG-UHFFFAOYSA-N 1 0 246.430 2.377 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)CC)[C@H]1C ZINC001178567739 978598568 /nfs/dbraw/zinc/59/85/68/978598568.db2.gz XKDRZXFFBUNGRP-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\C ZINC001233569797 978627542 /nfs/dbraw/zinc/62/75/42/978627542.db2.gz MDJGYDACQSLTJI-TZQNSNDFSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)/C(C)=C\C ZINC001233569796 978628231 /nfs/dbraw/zinc/62/82/31/978628231.db2.gz MDJGYDACQSLTJI-MVXISAMASA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CC1)C2 ZINC001110226345 978644554 /nfs/dbraw/zinc/64/45/54/978644554.db2.gz RPNFPGDBZGNGAL-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C=C1CCC1 ZINC001233622666 978649718 /nfs/dbraw/zinc/64/97/18/978649718.db2.gz NEZLUCQJKVOSIV-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233622758 978651489 /nfs/dbraw/zinc/65/14/89/978651489.db2.gz OKJVGFMDJUJWIX-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001338293395 978656343 /nfs/dbraw/zinc/65/63/43/978656343.db2.gz HXMOXTQVGMEDEH-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC001338563070 978707500 /nfs/dbraw/zinc/70/75/00/978707500.db2.gz AXZPOYYESBYPMF-RXGFPQBGSA-N 1 0 217.316 2.064 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CCC)[C@@H]1C ZINC001179451786 978707625 /nfs/dbraw/zinc/70/76/25/978707625.db2.gz IDNZCVHDELVGPV-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H](C)CC ZINC001233926985 978731330 /nfs/dbraw/zinc/73/13/30/978731330.db2.gz UNBNPDTWTIPASQ-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)Nc1ncccc1C#N ZINC001338805506 978738253 /nfs/dbraw/zinc/73/82/53/978738253.db2.gz YWYQWJSDVIHJJS-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C#Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)nc1 ZINC001233965495 978742340 /nfs/dbraw/zinc/74/23/40/978742340.db2.gz IRKMRQLTFMIOJX-HDJSIYSDSA-N 1 0 244.338 2.315 20 30 BEEDRO C#Cc1ccc(O[C@H](C)C[NH+](CC)CC)nc1 ZINC001233968073 978743632 /nfs/dbraw/zinc/74/36/32/978743632.db2.gz UNIYOAYUWDYTFC-GFCCVEGCSA-N 1 0 232.327 2.172 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)C(C)C ZINC001234089766 978768608 /nfs/dbraw/zinc/76/86/08/978768608.db2.gz ZSGMTRBZQZPVCO-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC(C)(C)COC ZINC001339005941 978770526 /nfs/dbraw/zinc/77/05/26/978770526.db2.gz FRSNFPSXDKBNBY-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)CCC ZINC001277832285 978779643 /nfs/dbraw/zinc/77/96/43/978779643.db2.gz RPZZJLMPWZEXKP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)C(CC)CC ZINC001234180285 978787454 /nfs/dbraw/zinc/78/74/54/978787454.db2.gz CHLZUYLKWQCARO-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCc1cccc(CN2CC[NH+](C)CC2)c1 ZINC001249953922 978814002 /nfs/dbraw/zinc/81/40/02/978814002.db2.gz OSYQBNHAJOROFT-UHFFFAOYSA-N 1 0 230.355 2.163 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1nc2cc(C#N)ccc2o1 ZINC001234455415 978842313 /nfs/dbraw/zinc/84/23/13/978842313.db2.gz DHSACLQAENYCGX-SECBINFHSA-N 1 0 245.282 2.028 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@]1(C)CCCCO1 ZINC001180240282 978846967 /nfs/dbraw/zinc/84/69/67/978846967.db2.gz WAIIMJFJRACWCZ-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001339421065 978850000 /nfs/dbraw/zinc/85/00/00/978850000.db2.gz RAYMJZAITYGJBQ-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC(=C)C ZINC001234593793 978866655 /nfs/dbraw/zinc/86/66/55/978866655.db2.gz JZWOXDZMVFTYNB-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NC(=O)[C@@H](C)CC#N)cc1 ZINC001339715727 978898525 /nfs/dbraw/zinc/89/85/25/978898525.db2.gz QCXIBUUTYCWJFF-UWVGGRQHSA-N 1 0 231.299 2.195 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204274980 978899172 /nfs/dbraw/zinc/89/91/72/978899172.db2.gz KDKHNXAYRANJMZ-UHFFFAOYSA-N 1 0 246.310 2.223 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)CCC)C1 ZINC001180660566 978928336 /nfs/dbraw/zinc/92/83/36/978928336.db2.gz DGZKQKOEWPGFMU-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001180688144 978929833 /nfs/dbraw/zinc/92/98/33/978929833.db2.gz PDSUTBOYFCUSGZ-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001180688421 978930140 /nfs/dbraw/zinc/93/01/40/978930140.db2.gz SSEVTJNOQOJLLY-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204279051 978930439 /nfs/dbraw/zinc/93/04/39/978930439.db2.gz OOBUWHDHJVEQKR-NSHDSACASA-N 1 0 246.310 2.223 20 30 BEEDRO Cc1cccnc1C[NH2+]CCCCC#N ZINC000070908541 978934680 /nfs/dbraw/zinc/93/46/80/978934680.db2.gz LIEIIGXLXFVAGW-UHFFFAOYSA-N 1 0 203.289 2.174 20 30 BEEDRO C[C@@H](C#N)c1ccc(NC(=O)[C@H](C)[NH+](C)C)cc1 ZINC001180861909 978957682 /nfs/dbraw/zinc/95/76/82/978957682.db2.gz RNOZTMIFYKLLTQ-QWRGUYRKSA-N 1 0 245.326 2.202 20 30 BEEDRO C=CCCCCCN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235038033 978959339 /nfs/dbraw/zinc/95/93/39/978959339.db2.gz LMWCEYTVGXDRSQ-QWHCGFSZSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC001340077972 978965330 /nfs/dbraw/zinc/96/53/30/978965330.db2.gz JHEBRCAKLGVACJ-NEPJUHHUSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCN1CCCC[C@]12CC[NH2+]C2 ZINC001235127591 978982859 /nfs/dbraw/zinc/98/28/59/978982859.db2.gz ZQZBVBWZXDLOKG-CYBMUJFWSA-N 1 0 208.349 2.171 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)CCCC)C1 ZINC001181058163 978992907 /nfs/dbraw/zinc/99/29/07/978992907.db2.gz VEMHVVJHJAUCON-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCCN1CCC[C@H]2[NH2+]C[C@H]21 ZINC001235292693 979018938 /nfs/dbraw/zinc/01/89/38/979018938.db2.gz IHMKLVMEJHVDHZ-CHWSQXEVSA-N 1 0 210.365 2.393 20 30 BEEDRO C[N@@H+]1CCC[C@]2(CCCN(CCCC#N)C2)C1 ZINC001277942769 979036439 /nfs/dbraw/zinc/03/64/39/979036439.db2.gz CNRGCMKATSSYEY-AWEZNQCLSA-N 1 0 235.375 2.098 20 30 BEEDRO N#CCc1ccccc1C[N@H+]1CCC[C@H](O)CC1 ZINC001235510815 979058346 /nfs/dbraw/zinc/05/83/46/979058346.db2.gz DCSASIUBUMJXKX-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C#CC[N@H+](CCc1ccns1)CC1CC1 ZINC001340677453 979059996 /nfs/dbraw/zinc/05/99/96/979059996.db2.gz FCFKDBXEIAUGSB-UHFFFAOYSA-N 1 0 220.341 2.031 20 30 BEEDRO N#Cc1ccccc1OCC[NH+]1CCC(F)CC1 ZINC000689908999 979063532 /nfs/dbraw/zinc/06/35/32/979063532.db2.gz ZTBAEOYSINABRN-UHFFFAOYSA-N 1 0 248.301 2.371 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235523208 979064242 /nfs/dbraw/zinc/06/42/42/979064242.db2.gz NKJSVVPOTQQXQY-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO CC[C@@H]1COCCN1Cc1ccccc1CC#N ZINC001235527892 979068929 /nfs/dbraw/zinc/06/89/29/979068929.db2.gz LRDQALIYXHLPEA-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO N#CCc1ccccc1CN1CCC[C@@H](C#N)C1 ZINC001235530227 979069107 /nfs/dbraw/zinc/06/91/07/979069107.db2.gz TVCPRYUMZBKGGT-ZDUSSCGKSA-N 1 0 239.322 2.488 20 30 BEEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530242 979071763 /nfs/dbraw/zinc/07/17/63/979071763.db2.gz TWVGLMXBKJVYLA-WFASDCNBSA-N 1 0 244.338 2.098 20 30 BEEDRO N#CCc1ccccc1CN1CCC[C@H](C#N)C1 ZINC001235530225 979073524 /nfs/dbraw/zinc/07/35/24/979073524.db2.gz TVCPRYUMZBKGGT-CYBMUJFWSA-N 1 0 239.322 2.488 20 30 BEEDRO CC[N@H+](Cc1ccccc1CC#N)CC(C)(C)O ZINC001235527087 979074009 /nfs/dbraw/zinc/07/40/09/979074009.db2.gz HSHFKKUZOMPLKI-UHFFFAOYSA-N 1 0 246.354 2.345 20 30 BEEDRO C=C(C)CCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC001340772791 979104118 /nfs/dbraw/zinc/10/41/18/979104118.db2.gz XPMVYUJGWCHYAT-JHJVBQTASA-N 1 0 238.375 2.282 20 30 BEEDRO C=CCCN(CC[NH2+]C)Cc1ccccc1 ZINC001235702609 979127826 /nfs/dbraw/zinc/12/78/26/979127826.db2.gz NCZCKGUHDMQCKZ-UHFFFAOYSA-N 1 0 218.344 2.284 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001181510599 979128888 /nfs/dbraw/zinc/12/88/88/979128888.db2.gz ZXAGLZLFUQSHSN-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCN[C@@H](CO)C1 ZINC001235751849 979138376 /nfs/dbraw/zinc/13/83/76/979138376.db2.gz FLXSQICKTHAPNO-CQSZACIVSA-N 1 0 242.407 2.003 20 30 BEEDRO Cc1nc(F)ccc1C[NH+]1CCC(S)CC1 ZINC001235815687 979158806 /nfs/dbraw/zinc/15/88/06/979158806.db2.gz XCZKARPRMVEAEI-UHFFFAOYSA-N 1 0 240.347 2.423 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001181518315 979160868 /nfs/dbraw/zinc/16/08/68/979160868.db2.gz XQCSDRQMLHHNSN-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCN(CC[NH2+]CC)[C@@H]1CCc2ccccc21 ZINC001235834047 979164153 /nfs/dbraw/zinc/16/41/53/979164153.db2.gz JGJYMNVSKDQEFG-MRXNPFEDSA-N 1 0 242.366 2.219 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC001340929853 979165755 /nfs/dbraw/zinc/16/57/55/979165755.db2.gz LXQBRGZMOBBJJY-HKUMRIAESA-N 1 0 238.375 2.091 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](N)C1 ZINC001235906317 979198827 /nfs/dbraw/zinc/19/88/27/979198827.db2.gz OGQNOSMNVBBZQD-NEPJUHHUSA-N 1 0 216.344 2.328 20 30 BEEDRO C=CCCCCCC[N@@H+]1CC[C@@H](F)[C@H](N)C1 ZINC001235911468 979201364 /nfs/dbraw/zinc/20/13/64/979201364.db2.gz VJRJTORWYVWKIC-CHWSQXEVSA-N 1 0 228.355 2.494 20 30 BEEDRO C[C@@H](CCN1CCN[C@H](C#N)C1)CC(C)(C)C ZINC001235914640 979202785 /nfs/dbraw/zinc/20/27/85/979202785.db2.gz WZQRZJUQQMBIOR-QWHCGFSZSA-N 1 0 237.391 2.246 20 30 BEEDRO C#CC[N@@H+](CCCOCC(F)(F)F)CC1CC1 ZINC001341067716 979218706 /nfs/dbraw/zinc/21/87/06/979218706.db2.gz SXMWSLWNFIUPOT-UHFFFAOYSA-N 1 0 249.276 2.301 20 30 BEEDRO C[C@@]1(CO)CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC001341092039 979229154 /nfs/dbraw/zinc/22/91/54/979229154.db2.gz CJTBULZSVLZMKI-RUXDESIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001181750920 979277247 /nfs/dbraw/zinc/27/72/47/979277247.db2.gz FSGNGQZPEQYKPF-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCCN1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236018598 979309930 /nfs/dbraw/zinc/30/99/30/979309930.db2.gz VUCHSHWBCYGYHR-STQMWFEESA-N 1 0 208.349 2.156 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C(CC)CC)C1 ZINC001181989525 979389968 /nfs/dbraw/zinc/38/99/68/979389968.db2.gz RASWFXBSUWZPHH-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC001341512493 979443482 /nfs/dbraw/zinc/44/34/82/979443482.db2.gz DWMFRDPHXSFPIT-DGCLKSJQSA-N 1 0 246.354 2.403 20 30 BEEDRO C#Cc1cccc(CN(C)[C@]2(C)CCC[NH2+]C2)c1 ZINC001236207013 979448333 /nfs/dbraw/zinc/44/83/33/979448333.db2.gz MXYNZAFVOJQRCH-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](CC)CCC ZINC001277980214 979454566 /nfs/dbraw/zinc/45/45/66/979454566.db2.gz TVGXFRCQSJTYGQ-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001341593691 979482498 /nfs/dbraw/zinc/48/24/98/979482498.db2.gz UGUQOLREYZGJHU-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO N#CCc1ccc(-c2cccc3c2CC[NH2+]C3)nc1 ZINC001236342930 979541431 /nfs/dbraw/zinc/54/14/31/979541431.db2.gz KGPHJYXLDPBUOK-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#CCc1ccnc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236345017 979548469 /nfs/dbraw/zinc/54/84/69/979548469.db2.gz VPZKMDZWQGVZMA-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2nccc(C#N)n2)c1 ZINC001236414434 979588374 /nfs/dbraw/zinc/58/83/74/979588374.db2.gz PBXGMXSFYDNABH-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC001342005226 979619017 /nfs/dbraw/zinc/61/90/17/979619017.db2.gz QXXCKZQICDOZQA-LBPRGKRZSA-N 1 0 246.354 2.364 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC(CC[NH3+])CC1 ZINC001342061210 979642608 /nfs/dbraw/zinc/64/26/08/979642608.db2.gz WIWMPCBTWPELEA-LBPRGKRZSA-N 1 0 238.375 2.176 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001203189473 979664219 /nfs/dbraw/zinc/66/42/19/979664219.db2.gz YRQKIIDXAPQRKO-ZDUSSCGKSA-N 1 0 244.338 2.305 20 30 BEEDRO C#C[C@H]([NH2+]CCSC(C)C)C1CCOCC1 ZINC001182991575 979692346 /nfs/dbraw/zinc/69/23/46/979692346.db2.gz XDVZUBHXCSWQSP-ZDUSSCGKSA-N 1 0 241.400 2.146 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)Nc1ccccc1 ZINC001183027281 979701103 /nfs/dbraw/zinc/70/11/03/979701103.db2.gz MKDGWGWZXWAYPP-UHFFFAOYSA-N 1 0 230.311 2.277 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)NCC(CC)CC ZINC001183027018 979701335 /nfs/dbraw/zinc/70/13/35/979701335.db2.gz GSFBYSDNMUCFIF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](CC=C)C1 ZINC001342197851 979704425 /nfs/dbraw/zinc/70/44/25/979704425.db2.gz APGNFRDWERMDFP-QWHCGFSZSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)cc(C(=O)OC)c1 ZINC001236781747 979722949 /nfs/dbraw/zinc/72/29/49/979722949.db2.gz KAQIRDJDTZYZNY-UHFFFAOYSA-N 1 0 237.274 2.230 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC001342257634 979737175 /nfs/dbraw/zinc/73/71/75/979737175.db2.gz BUXSMPFOOAKPJB-HIFRSBDPSA-N 1 0 248.370 2.095 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC001342257632 979738971 /nfs/dbraw/zinc/73/89/71/979738971.db2.gz BUXSMPFOOAKPJB-DZGCQCFKSA-N 1 0 248.370 2.095 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC[C@]1(C)CC1(C)C ZINC001342458962 979805995 /nfs/dbraw/zinc/80/59/95/979805995.db2.gz UGWPCNNUJVSCFQ-FZMZJTMJSA-N 1 0 238.375 2.222 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC001237281998 979860592 /nfs/dbraw/zinc/86/05/92/979860592.db2.gz WXIDEHAVTKYIBZ-NSHDSACASA-N 1 0 233.286 2.377 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(O)cc(F)c2)CC1 ZINC001237283915 979860726 /nfs/dbraw/zinc/86/07/26/979860726.db2.gz OHVNFQCCKILPKQ-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC)C[C@H]1C ZINC001183651231 979861027 /nfs/dbraw/zinc/86/10/27/979861027.db2.gz ZEEITVOWRBPWTE-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001183662814 979870371 /nfs/dbraw/zinc/87/03/71/979870371.db2.gz LYBRFLXAPAMYAB-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C/C=C\c1ccccc1OC ZINC001342725519 979879035 /nfs/dbraw/zinc/87/90/35/979879035.db2.gz AKTXANZVFLMKMB-LEJCZOIISA-N 1 0 247.338 2.499 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC001183800784 979887471 /nfs/dbraw/zinc/88/74/71/979887471.db2.gz PIRPHCZMIWTREY-ZIAGYGMSSA-N 1 0 236.403 2.498 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C)C1 ZINC001183800782 979888624 /nfs/dbraw/zinc/88/86/24/979888624.db2.gz PIRPHCZMIWTREY-KGLIPLIRSA-N 1 0 236.403 2.498 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001342812497 979901225 /nfs/dbraw/zinc/90/12/25/979901225.db2.gz VJPIAGRIVBLTOD-AAEUAGOBSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@]1(CF)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237459488 979902412 /nfs/dbraw/zinc/90/24/12/979902412.db2.gz RGYAGTUSALPPJO-CYBMUJFWSA-N 1 0 233.290 2.135 20 30 BEEDRO Cc1coc(NC(=O)CCCC[NH+](C)C)c1C#N ZINC001184057211 979939549 /nfs/dbraw/zinc/93/95/49/979939549.db2.gz IVFWBROOJQXIAH-UHFFFAOYSA-N 1 0 249.314 2.130 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[NH2+]CC)[C@@H](C)C1 ZINC001184077179 979940486 /nfs/dbraw/zinc/94/04/86/979940486.db2.gz HCAHBEOWOXWNAW-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO CCn1cncc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001237591006 979947339 /nfs/dbraw/zinc/94/73/39/979947339.db2.gz UCBSYSRBQNIIQX-LBPRGKRZSA-N 1 0 232.331 2.029 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237603735 979966757 /nfs/dbraw/zinc/96/67/57/979966757.db2.gz FZQQVKFQJWVUDJ-LLVKDONJSA-N 1 0 242.326 2.436 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]cc(C(=O)OC)c1C1CC1 ZINC001343039684 979989024 /nfs/dbraw/zinc/98/90/24/979989024.db2.gz NXZGUNWXAIIZDU-UHFFFAOYSA-N 1 0 248.326 2.297 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2occc2OC)C1 ZINC001237875820 980107895 /nfs/dbraw/zinc/10/78/95/980107895.db2.gz ZYFUFIITBVWWJJ-NSHDSACASA-N 1 0 219.284 2.133 20 30 BEEDRO C[NH+](C)CCc1cccc(C2(C#N)CC2)c1 ZINC001250159976 980114762 /nfs/dbraw/zinc/11/47/62/980114762.db2.gz VDSQEWHUAZUORB-UHFFFAOYSA-N 1 0 214.312 2.346 20 30 BEEDRO C[NH+](C)CCCc1ccc(C#N)cc1F ZINC001250161113 980119701 /nfs/dbraw/zinc/11/97/01/980119701.db2.gz NPFFPWALFYWYKV-UHFFFAOYSA-N 1 0 206.264 2.192 20 30 BEEDRO COc1cccc(CCC[NH+](C)C)c1C#N ZINC001250164444 980121278 /nfs/dbraw/zinc/12/12/78/980121278.db2.gz JVLWDQCGUFVUBK-UHFFFAOYSA-N 1 0 218.300 2.061 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CCCC2)cc1F ZINC001250166577 980130030 /nfs/dbraw/zinc/13/00/30/980130030.db2.gz MNYWNTRPPIOFGD-UHFFFAOYSA-N 1 0 218.275 2.336 20 30 BEEDRO C=C1CC(C)(C(=O)NC(C)(C)CC[NH+](C)C)C1 ZINC001184793330 980133308 /nfs/dbraw/zinc/13/33/08/980133308.db2.gz DXQKAVIZCJKIRW-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCCC)C1 ZINC001184849664 980139514 /nfs/dbraw/zinc/13/95/14/980139514.db2.gz JAKAHFLGBMFQTE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCN(CCC#N)Cc1cccc2c[nH+]cn21 ZINC001238113790 980160696 /nfs/dbraw/zinc/16/06/96/980160696.db2.gz MGPUWUZRXAOVPU-UHFFFAOYSA-N 1 0 242.326 2.460 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C(C)C)C(C)C ZINC001343608225 980162304 /nfs/dbraw/zinc/16/23/04/980162304.db2.gz CNANJSTTZWHCSY-SNVBAGLBSA-N 1 0 246.782 2.253 20 30 BEEDRO SC1CC[NH+](Cc2cccc3cncn32)CC1 ZINC001238117992 980168120 /nfs/dbraw/zinc/16/81/20/980168120.db2.gz GMRMDMSXRXBHHD-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@]12CCN(C)C2=O ZINC001273499806 980197631 /nfs/dbraw/zinc/19/76/31/980197631.db2.gz DNKUHCRYASPUMB-AWEZNQCLSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC(=O)NCCCCc1cc[nH+]c(N)c1 ZINC001608284323 980202453 /nfs/dbraw/zinc/20/24/53/980202453.db2.gz OUMFHSKQDKURQQ-UHFFFAOYSA-N 1 0 247.342 2.069 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(F)cc(N2CCCC2)c1 ZINC001238708083 980312706 /nfs/dbraw/zinc/31/27/06/980312706.db2.gz SUWLPTNBIHIKIF-UHFFFAOYSA-N 1 0 246.329 2.491 20 30 BEEDRO CCc1cc(C[N@H+](C)[C@@H]2CCOC2)ccc1C#N ZINC001238777670 980320403 /nfs/dbraw/zinc/32/04/03/980320403.db2.gz FSMKGZVZCKVFIN-OAHLLOKOSA-N 1 0 244.338 2.341 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1CC2(CCC2)C1 ZINC001344043424 980326022 /nfs/dbraw/zinc/32/60/22/980326022.db2.gz DXKXFRGEXKSIPJ-GFCCVEGCSA-N 1 0 236.359 2.119 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccn1C1CC1)[C@@H]1CCCO1 ZINC001344068663 980333761 /nfs/dbraw/zinc/33/37/61/980333761.db2.gz FXAOURXWVFEVPI-GJZGRUSLSA-N 1 0 244.338 2.093 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccn1C1CC1)[C@@H]1CCCO1 ZINC001344068662 980336066 /nfs/dbraw/zinc/33/60/66/980336066.db2.gz FXAOURXWVFEVPI-CABCVRRESA-N 1 0 244.338 2.093 20 30 BEEDRO N#Cc1cnc2cc[nH]c(C3=CCC[NH2+]CC3)c1-2 ZINC001238937555 980374519 /nfs/dbraw/zinc/37/45/19/980374519.db2.gz VWOHDOQUXVGKQR-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO N#CC1(c2ccc(C3=CCC[NH2+]CC3)nc2)CC1 ZINC001238938548 980377507 /nfs/dbraw/zinc/37/75/07/980377507.db2.gz MYMFURYZOKOHDA-UHFFFAOYSA-N 1 0 239.322 2.404 20 30 BEEDRO CC#Cc1cncc(C2=CCC[NH2+]CC2)c1 ZINC001238947453 980387603 /nfs/dbraw/zinc/38/76/03/980387603.db2.gz ONHHHJMQWKTSOA-UHFFFAOYSA-N 1 0 212.296 2.220 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC001344422031 980393760 /nfs/dbraw/zinc/39/37/60/980393760.db2.gz PTSCNQRNTAITMN-WCQYABFASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC001344422028 980393975 /nfs/dbraw/zinc/39/39/75/980393975.db2.gz PTSCNQRNTAITMN-AAEUAGOBSA-N 1 0 238.375 2.365 20 30 BEEDRO N#Cc1ncc(-c2ccccc2CC[NH3+])cc1F ZINC001238991626 980410208 /nfs/dbraw/zinc/41/02/08/980410208.db2.gz XQJRKTHFBSQSNC-UHFFFAOYSA-N 1 0 241.269 2.261 20 30 BEEDRO N#Cc1ncc(-c2cccc(CC[NH3+])c2)cc1F ZINC001238990966 980410250 /nfs/dbraw/zinc/41/02/50/980410250.db2.gz GIXZYDPXPPXOAV-UHFFFAOYSA-N 1 0 241.269 2.261 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC(C)C)C1 ZINC001186637698 980424686 /nfs/dbraw/zinc/42/46/86/980424686.db2.gz BJMBJNSBFNFNIX-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344733023 980459360 /nfs/dbraw/zinc/45/93/60/980459360.db2.gz SGDJAXIEWRNVDW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001344848921 980484634 /nfs/dbraw/zinc/48/46/34/980484634.db2.gz XXOIGIVQOZHSNM-FDYHWXHSSA-N 1 0 238.375 2.186 20 30 BEEDRO CCCCCCCCNC(=O)NC1(C)C[NH2+]C1 ZINC001239212204 980499037 /nfs/dbraw/zinc/49/90/37/980499037.db2.gz HCUNJKBPELCEPU-UHFFFAOYSA-N 1 0 241.379 2.008 20 30 BEEDRO C=CCCC(=O)O[C@@H](C)CC[NH+]1CCCC1 ZINC001344923298 980499401 /nfs/dbraw/zinc/49/94/01/980499401.db2.gz HMNFVPAHDPJSHC-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CCCCCCCCOC(=O)N1CC[NH2+]CC1 ZINC001239327066 980535890 /nfs/dbraw/zinc/53/58/90/980535890.db2.gz NCZOGAMHZTYWQF-UHFFFAOYSA-N 1 0 242.363 2.389 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCOC12CCCC2 ZINC001345122007 980555073 /nfs/dbraw/zinc/55/50/73/980555073.db2.gz LMIFDDGQSQPTJY-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)CCC(=C)C)[C@@H]2C1 ZINC001188074497 980588365 /nfs/dbraw/zinc/58/83/65/980588365.db2.gz GDPMCDKTYJGKIA-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+](CC)CCCNC(=O)[C@H]1CC1(C)C ZINC001479842297 980600465 /nfs/dbraw/zinc/60/04/65/980600465.db2.gz RUKOWVPJJJSTIM-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)O[C@H](CC)C[NH+](C)C ZINC001345505873 980623480 /nfs/dbraw/zinc/62/34/80/980623480.db2.gz SBDDQRSQJRMZQX-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[NH+](C(C)C)CC1 ZINC001345601552 980641917 /nfs/dbraw/zinc/64/19/17/980641917.db2.gz HEOHVIMQOATSRM-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)c2ccco2)C1 ZINC001188641937 980687532 /nfs/dbraw/zinc/68/75/32/980687532.db2.gz LYMOHMGYGJPWIF-LBPRGKRZSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC001188916293 980715991 /nfs/dbraw/zinc/71/59/91/980715991.db2.gz VZBQYRONYMNHBC-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001188925373 980718207 /nfs/dbraw/zinc/71/82/07/980718207.db2.gz MHIDGZNONZJYJM-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([N@@H+](C)CC(C)C)C1 ZINC001189269891 980767348 /nfs/dbraw/zinc/76/73/48/980767348.db2.gz MHPSIWAMDPMHPO-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001346180437 980777110 /nfs/dbraw/zinc/77/71/10/980777110.db2.gz OPZLCXSSRMCJNK-DGCLKSJQSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001189538690 980804874 /nfs/dbraw/zinc/80/48/74/980804874.db2.gz SDJWZDAEHGCGSV-WBTMPAOCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001189633448 980807391 /nfs/dbraw/zinc/80/73/91/980807391.db2.gz XHPPNSJZBKFSIC-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(CC)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC001346505478 980854525 /nfs/dbraw/zinc/85/45/25/980854525.db2.gz HUDGSJIVHISZMM-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001346665941 980879739 /nfs/dbraw/zinc/87/97/39/980879739.db2.gz KJYYYIHBTHQLFV-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO CCCC[N@H+](CCOC)Cc1cc(C#N)ccn1 ZINC001190845519 980936869 /nfs/dbraw/zinc/93/68/69/980936869.db2.gz DKCKJLUJVZJJOG-UHFFFAOYSA-N 1 0 247.342 2.202 20 30 BEEDRO N#CCc1cc(-c2cncc(C[NH3+])c2)ccc1C#N ZINC001239798242 980938618 /nfs/dbraw/zinc/93/86/18/980938618.db2.gz AJVISFRRAYJIGL-UHFFFAOYSA-N 1 0 248.289 2.145 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC001347172373 981001738 /nfs/dbraw/zinc/00/17/38/981001738.db2.gz VGCDLUXXGFNOOX-CYBMUJFWSA-N 1 0 235.327 2.300 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001347377934 981063313 /nfs/dbraw/zinc/06/33/13/981063313.db2.gz RYLGGSPLUJEVNR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H](C[NH+](C)C)OCc1ccccc1C#N ZINC001205584979 981135002 /nfs/dbraw/zinc/13/50/02/981135002.db2.gz KOBRXPBVXRMZNV-LLVKDONJSA-N 1 0 218.300 2.025 20 30 BEEDRO C=C(CC(C)C)C(=O)NCCCC[NH+](C)C ZINC001347650507 981139114 /nfs/dbraw/zinc/13/91/14/981139114.db2.gz UPCKTMWTASMQFI-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1C/N=C/c1cccc(O)c1O ZINC001347736607 981158162 /nfs/dbraw/zinc/15/81/62/981158162.db2.gz ZHRRKIVOULJQJT-KMHUVPDISA-N 1 0 248.326 2.001 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC001348386480 981349064 /nfs/dbraw/zinc/34/90/64/981349064.db2.gz HBZOWZPSBQARKA-XQQFMLRXSA-N 1 0 223.360 2.439 20 30 BEEDRO N#CCc1ccncc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240457578 981392177 /nfs/dbraw/zinc/39/21/77/981392177.db2.gz XURCQENCOFUZMS-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#CC1(c2ccc(C3=CC[NH2+]CC3)nc2)CCC1 ZINC001240465398 981396049 /nfs/dbraw/zinc/39/60/49/981396049.db2.gz XLCCHCBMGKRATJ-UHFFFAOYSA-N 1 0 239.322 2.404 20 30 BEEDRO Cc1cc(C2=CC[NH2+]CC2)cc(F)c1C#N ZINC001240468680 981406175 /nfs/dbraw/zinc/40/61/75/981406175.db2.gz JSDRKZGMXRNHSH-UHFFFAOYSA-N 1 0 216.259 2.383 20 30 BEEDRO SCc1ccc(C2=CC[NH2+]CC2)cc1 ZINC001240470057 981407124 /nfs/dbraw/zinc/40/71/24/981407124.db2.gz SLRGFBRDFRZOIH-UHFFFAOYSA-N 1 0 205.326 2.493 20 30 BEEDRO N#CCc1cc(F)cc(C2=CC[NH2+]CC2)c1 ZINC001240470806 981407438 /nfs/dbraw/zinc/40/74/38/981407438.db2.gz QCFYZQZIAXLFSC-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO N#CC1(c2ccc(C3=CCC[NH2+]C3)nc2)CCC1 ZINC001240651244 981559714 /nfs/dbraw/zinc/55/97/14/981559714.db2.gz APCMODHARFOMEL-UHFFFAOYSA-N 1 0 239.322 2.404 20 30 BEEDRO C=C(C)c1ccc(C2=CCC[NH2+]C2)nc1 ZINC001240653065 981565047 /nfs/dbraw/zinc/56/50/47/981565047.db2.gz OMDDIXJMMBPLSM-UHFFFAOYSA-N 1 0 200.285 2.491 20 30 BEEDRO N#Cc1cc2c(cccc2C2=CCC[NH2+]C2)[nH]1 ZINC001240664701 981571714 /nfs/dbraw/zinc/57/17/14/981571714.db2.gz NYLZORUDPSCNLK-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO N#CCc1ccc(F)cc1C1=CCC[NH2+]C1 ZINC001240664522 981573408 /nfs/dbraw/zinc/57/34/08/981573408.db2.gz LIZUPHYTPOEWBO-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO N#CCc1cc(F)ccc1C1=CCC[NH2+]C1 ZINC001240669065 981578132 /nfs/dbraw/zinc/57/81/32/981578132.db2.gz GQKXDVNIYKPVFD-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO CCC[C@@]1([NH2+]Cc2cc(C#N)ccn2)CCOC1 ZINC001194270056 981628578 /nfs/dbraw/zinc/62/85/78/981628578.db2.gz USMQVTBALIQUOI-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC001349858408 981797903 /nfs/dbraw/zinc/79/79/03/981797903.db2.gz RIPWLGHGTPDJKU-CYBMUJFWSA-N 1 0 240.391 2.434 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC001583977943 981846895 /nfs/dbraw/zinc/84/68/95/981846895.db2.gz VLWZKWPEXGOHGI-UHFFFAOYSA-N 1 0 246.354 2.384 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(S)CC2)o1 ZINC001203297654 981872842 /nfs/dbraw/zinc/87/28/42/981872842.db2.gz QSFMUFDHLBARIZ-UHFFFAOYSA-N 1 0 211.330 2.482 20 30 BEEDRO CCC[C@H](C)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001350330384 981932453 /nfs/dbraw/zinc/93/24/53/981932453.db2.gz VAJVNUJXPRUUGG-MELADBBJSA-N 1 0 237.391 2.341 20 30 BEEDRO N#Cc1cc(-c2cccc3c2C[NH2+]C3)ccn1 ZINC001241192827 982341237 /nfs/dbraw/zinc/34/12/37/982341237.db2.gz CSOZRXDDNDSKIL-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO COc1cc(C2=CC[N@H+](C)CC2)ccc1CC#N ZINC001241322008 982480972 /nfs/dbraw/zinc/48/09/72/982480972.db2.gz GNJAQFXDGIHDLV-UHFFFAOYSA-N 1 0 242.322 2.480 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001480123203 982485489 /nfs/dbraw/zinc/48/54/89/982485489.db2.gz AHMSWYQURAMUKW-HAQNSBGRSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001196791153 982488683 /nfs/dbraw/zinc/48/86/83/982488683.db2.gz URRXGUBTXBFIGD-VGOFMYFVSA-N 1 0 248.370 2.229 20 30 BEEDRO C=C(CC)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001352424301 982521558 /nfs/dbraw/zinc/52/15/58/982521558.db2.gz USEKETWUQAZSGW-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[C@H](C)[NH+](C)C ZINC001352433662 982525353 /nfs/dbraw/zinc/52/53/53/982525353.db2.gz OITTXABIAVLHPJ-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO COc1cc(C#N)ccc1-c1cc(N)cc[nH+]1 ZINC001241386778 982543527 /nfs/dbraw/zinc/54/35/27/982543527.db2.gz UYQMKSSKNRJGJQ-UHFFFAOYSA-N 1 0 225.251 2.211 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccccc2C#N)C1 ZINC001205805227 982565899 /nfs/dbraw/zinc/56/58/99/982565899.db2.gz QAHGNXRULIVICF-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C#N)cc2)C1 ZINC001205805495 982567581 /nfs/dbraw/zinc/56/75/81/982567581.db2.gz QPHYFGGYLKYZTJ-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C[NH+](C)Cc1cncc(-c2ccc(C#N)nc2)c1 ZINC001241431527 982586014 /nfs/dbraw/zinc/58/60/14/982586014.db2.gz AHUYIMCAILWBTG-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001480447526 982702064 /nfs/dbraw/zinc/70/20/64/982702064.db2.gz PZRIJDLUMLPPNW-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1CCCC1 ZINC001198526436 982746782 /nfs/dbraw/zinc/74/67/82/982746782.db2.gz TWUPKLNPZUVFJI-CABCVRRESA-N 1 0 235.371 2.415 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CCCC)C1CC1 ZINC001353181990 982750733 /nfs/dbraw/zinc/75/07/33/982750733.db2.gz GWVXWCYNYUAWBD-ZDUSSCGKSA-N 1 0 238.375 2.461 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)=C1CCC1 ZINC001480459625 982813256 /nfs/dbraw/zinc/81/32/56/982813256.db2.gz PBQSEKNGQSGMAO-LLVKDONJSA-N 1 0 236.359 2.157 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001353354711 982847070 /nfs/dbraw/zinc/84/70/70/982847070.db2.gz SMCMNNKWNVJEIT-CABCVRRESA-N 1 0 233.355 2.289 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C(C)=C2CCC2)C1 ZINC001100312387 982865418 /nfs/dbraw/zinc/86/54/18/982865418.db2.gz MPEOBOYYQVRUCF-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001353700161 982977201 /nfs/dbraw/zinc/97/72/01/982977201.db2.gz GCQJRJOAEVFQKK-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1nnc(-c2ccc(C[NH3+])cc2)c(C#N)c1C ZINC001241910842 983125624 /nfs/dbraw/zinc/12/56/24/983125624.db2.gz AHFGAXBBGAOVMU-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO N#CCc1ccc(-c2ccc(C[NH3+])cc2)nc1 ZINC001241912049 983128495 /nfs/dbraw/zinc/12/84/95/983128495.db2.gz UPTALOGYQDOBGB-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO CCc1nc(C#N)cc(-c2ccc(C[NH3+])cc2)n1 ZINC001241913034 983130806 /nfs/dbraw/zinc/13/08/06/983130806.db2.gz NDNLLOYKKKQWSK-UHFFFAOYSA-N 1 0 238.294 2.036 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)/C=C(/C)C1CC1 ZINC001273878828 983132563 /nfs/dbraw/zinc/13/25/63/983132563.db2.gz GDGVYHJGIHHFJO-IBKJGWGWSA-N 1 0 248.370 2.181 20 30 BEEDRO N#Cc1cc(-c2ccc(C[NH3+])cc2)cnc1F ZINC001241915430 983132904 /nfs/dbraw/zinc/13/29/04/983132904.db2.gz WWXFLOICYGETFE-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#Cc1cc(F)cnc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242019753 983225172 /nfs/dbraw/zinc/22/51/72/983225172.db2.gz CHVKFOWPCSFDFD-NEPJUHHUSA-N 1 0 229.258 2.000 20 30 BEEDRO Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(C#N)c1 ZINC001242019736 983226477 /nfs/dbraw/zinc/22/64/77/983226477.db2.gz KCEHOYYVIRBLAU-OLZOCXBDSA-N 1 0 225.295 2.169 20 30 BEEDRO Cc1nc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1CC#N ZINC001242022058 983230282 /nfs/dbraw/zinc/23/02/82/983230282.db2.gz KQPVTJQMOJVBMT-KGLIPLIRSA-N 1 0 239.322 2.364 20 30 BEEDRO N#CCc1cnc(F)c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242025459 983235480 /nfs/dbraw/zinc/23/54/80/983235480.db2.gz PYVFEEKNVYFAGG-NEPJUHHUSA-N 1 0 243.285 2.194 20 30 BEEDRO CC#Cc1cncc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242025554 983235489 /nfs/dbraw/zinc/23/54/89/983235489.db2.gz DJTQJAUSYMYDCG-CABCVRRESA-N 1 0 224.307 2.361 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001354486749 983313822 /nfs/dbraw/zinc/31/38/22/983313822.db2.gz BHILEBXUMMZIKC-AVGNSLFASA-N 1 0 238.375 2.222 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001201586499 983347052 /nfs/dbraw/zinc/34/70/52/983347052.db2.gz CQUUUALWAAAIPV-CQSZACIVSA-N 1 0 230.311 2.421 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2ccccc2C#N)C1 ZINC001201586569 983349009 /nfs/dbraw/zinc/34/90/09/983349009.db2.gz KHULILJIOJGUIS-CYBMUJFWSA-N 1 0 230.311 2.421 20 30 BEEDRO C=CCO[C@H]1CO[C@]2(C1)CCC[N@@H+](CCC)C2 ZINC001201641301 983395316 /nfs/dbraw/zinc/39/53/16/983395316.db2.gz KFBLUQUWEZETQX-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CCCC)C1 ZINC001201722585 983428113 /nfs/dbraw/zinc/42/81/13/983428113.db2.gz BZXOPUNVHXYWIX-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO CSCCC[N@@H+]1CCC[C@H](C#N)CC1 ZINC001201692398 983435934 /nfs/dbraw/zinc/43/59/34/983435934.db2.gz YDQSKXMVVRBOSY-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO C=C[C@@H](COC)[NH2+]CCc1ccc(F)cc1 ZINC001355281627 983457709 /nfs/dbraw/zinc/45/77/09/983457709.db2.gz YZESTLGPASMDNK-ZDUSSCGKSA-N 1 0 223.291 2.159 20 30 BEEDRO C=C[C@H](COC)[NH2+]CCc1ccc(F)cc1 ZINC001355281625 983460481 /nfs/dbraw/zinc/46/04/81/983460481.db2.gz YZESTLGPASMDNK-CYBMUJFWSA-N 1 0 223.291 2.159 20 30 BEEDRO CCCCCCC[N@@H+]1CCN2CC[C@H]2C1 ZINC001201798087 983475362 /nfs/dbraw/zinc/47/53/62/983475362.db2.gz OBBJDPBWJLINBR-ZDUSSCGKSA-N 1 0 210.365 2.347 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C/C=C(\C)C=C)CC1 ZINC001202054439 983541321 /nfs/dbraw/zinc/54/13/21/983541321.db2.gz RYZDXDOBGNPIAQ-AWNIVKPZSA-N 1 0 248.370 2.275 20 30 BEEDRO Cc1cc(-c2[nH+]ccc(N)c2C)cnc1C#N ZINC001242354094 983633884 /nfs/dbraw/zinc/63/38/84/983633884.db2.gz XBZPPLCWQAENOH-UHFFFAOYSA-N 1 0 224.267 2.214 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C=C(C)C)C12CCC2 ZINC001202393757 983656519 /nfs/dbraw/zinc/65/65/19/983656519.db2.gz BPIBSYBKZSBOIE-QWHCGFSZSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC1CC([NH3+])C1 ZINC001357276888 983686549 /nfs/dbraw/zinc/68/65/49/983686549.db2.gz QOKRJEJEVXCJRK-UHFFFAOYSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(Cl)C[N@H+](CC)CCCNC(=O)C(C)C ZINC001490316730 983721011 /nfs/dbraw/zinc/72/10/11/983721011.db2.gz ACLUGCJTNBVWIG-UHFFFAOYSA-N 1 0 246.782 2.223 20 30 BEEDRO CCCC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001252116884 983702701 /nfs/dbraw/zinc/70/27/01/983702701.db2.gz ZQRIYYCYJMNXNM-HNNXBMFYSA-N 1 0 231.339 2.179 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)/C(C)=C\C)C1CC1 ZINC001490371117 983720411 /nfs/dbraw/zinc/72/04/11/983720411.db2.gz RLPWNIKIPDLARI-XGICHPGQSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001490445486 983720779 /nfs/dbraw/zinc/72/07/79/983720779.db2.gz AQVIGRQCWBMCMH-YLHGKKIISA-N 1 0 248.370 2.275 20 30 BEEDRO C=CC[N@@H+](CC)CCCNC(=O)/C(C)=C\CC ZINC001490318452 983721118 /nfs/dbraw/zinc/72/11/18/983721118.db2.gz YBQUAVPNWMILPB-LCYFTJDESA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)CCC(=C)C)C1CC1 ZINC001490671008 983735870 /nfs/dbraw/zinc/73/58/70/983735870.db2.gz HFLRVNWMZYDZAN-ZDUSSCGKSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](CC)C1CCCCC1 ZINC001252451587 983780097 /nfs/dbraw/zinc/78/00/97/983780097.db2.gz TWANIZXUZVTUCX-CQSZACIVSA-N 1 0 241.375 2.205 20 30 BEEDRO Cc1cc(C#N)ccc1-c1c[nH+]ccc1N ZINC001242473815 983800443 /nfs/dbraw/zinc/80/04/43/983800443.db2.gz JRMDOOHTHWPXBE-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC1(C)C ZINC001357892106 983802163 /nfs/dbraw/zinc/80/21/63/983802163.db2.gz PVNBXMXRGOQFQZ-VXGBXAGGSA-N 1 0 238.375 2.175 20 30 BEEDRO CCCCCCCNC(=O)C12CCC(CC1)[NH2+]2 ZINC001357913120 983803064 /nfs/dbraw/zinc/80/30/64/983803064.db2.gz OJMINGRJSXGQGX-UHFFFAOYSA-N 1 0 238.375 2.358 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@]12C[C@H]1CCCC2 ZINC001357979951 983811489 /nfs/dbraw/zinc/81/14/89/983811489.db2.gz RRBDSFNORSJCQA-MBNYWOFBSA-N 1 0 236.359 2.119 20 30 BEEDRO C=C[C@@](C)(O)CNc1c(C)[nH+]c2ccc(F)cn21 ZINC001252546732 983811682 /nfs/dbraw/zinc/81/16/82/983811682.db2.gz BYXKWTKEOHKAAR-CYBMUJFWSA-N 1 0 249.289 2.131 20 30 BEEDRO C=C[C@](C)(O)CNc1ccc2[nH]c(C)[nH+]c2c1 ZINC001252561526 983819279 /nfs/dbraw/zinc/81/92/79/983819279.db2.gz HIZRRUWZAFDETR-ZDUSSCGKSA-N 1 0 231.299 2.220 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1nc2ccccc2s1 ZINC001252568584 983823881 /nfs/dbraw/zinc/82/38/81/983823881.db2.gz LPESVRPLABOJDX-ZDUSSCGKSA-N 1 0 248.351 2.323 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC001252568883 983824398 /nfs/dbraw/zinc/82/43/98/983824398.db2.gz ODLYPESASBQXOP-QMTHXVAHSA-N 1 0 245.326 2.151 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](CC)c1ncccc1C ZINC001252573536 983829689 /nfs/dbraw/zinc/82/96/89/983829689.db2.gz FVNRMMMWXAONJE-JSGCOSHPSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC001252576922 983831633 /nfs/dbraw/zinc/83/16/33/983831633.db2.gz QIKMBFKEUDVOQK-ZJUUUORDSA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](CC)c1cccnc1 ZINC001252577305 983832505 /nfs/dbraw/zinc/83/25/05/983832505.db2.gz YGVSJPFVTSCFJJ-CHWSQXEVSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1ncccc1C)C1CC1 ZINC001252577083 983832801 /nfs/dbraw/zinc/83/28/01/983832801.db2.gz SZMFKYPDCMDAAH-GJZGRUSLSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)c1ccccc1OC ZINC001252578004 983833240 /nfs/dbraw/zinc/83/32/40/983833240.db2.gz AQDZOPAHGYLMHQ-HNNXBMFYSA-N 1 0 249.354 2.457 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001252582053 983834547 /nfs/dbraw/zinc/83/45/47/983834547.db2.gz NKWADKIAMYDTIU-KGLIPLIRSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2sccc21 ZINC001252585103 983835389 /nfs/dbraw/zinc/83/53/89/983835389.db2.gz JJYHYMMPSOCUPE-ZYHUDNBSSA-N 1 0 223.341 2.262 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001252585743 983835558 /nfs/dbraw/zinc/83/55/58/983835558.db2.gz SXCKYTBOQBLLRF-IAQYHMDHSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001252585744 983835577 /nfs/dbraw/zinc/83/55/77/983835577.db2.gz SZLWHJOVXQJWLN-HNNXBMFYSA-N 1 0 244.338 2.205 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001252585742 983835940 /nfs/dbraw/zinc/83/59/40/983835940.db2.gz SXCKYTBOQBLLRF-ABAIWWIYSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CC[C@@]1(C(=O)NCCC2CC=CC2)CCC[NH2+]1 ZINC001358195031 983837910 /nfs/dbraw/zinc/83/79/10/983837910.db2.gz VTZSXJFSYXNDRC-HNNXBMFYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCc1ncccc1C ZINC001252589689 983840049 /nfs/dbraw/zinc/84/00/49/983840049.db2.gz PLPWKHDMVUPQLT-CQSZACIVSA-N 1 0 248.370 2.239 20 30 BEEDRO CCCCCCC[N@H+](CC)C[C@H](O)COC ZINC001252817077 983913411 /nfs/dbraw/zinc/91/34/11/983913411.db2.gz XDSVEVVVJODXLP-ZDUSSCGKSA-N 1 0 231.380 2.286 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)/C=C(\C)C1CC1 ZINC001480752375 984006835 /nfs/dbraw/zinc/00/68/35/984006835.db2.gz RKHMKEVLWYTUHC-HCRIHEDKSA-N 1 0 236.359 2.013 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)CN(C)C(C)=O ZINC001571374885 984030113 /nfs/dbraw/zinc/03/01/13/984030113.db2.gz LZKQAUUXTAEELF-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO C=CCCC(=O)N(CC[N@H+](C)CC=C)C(C)C ZINC001571610216 984031851 /nfs/dbraw/zinc/03/18/51/984031851.db2.gz JVXROCZNOODHNJ-UHFFFAOYSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)CC1CC1 ZINC001495992377 984032132 /nfs/dbraw/zinc/03/21/32/984032132.db2.gz XRUXJDSUNMGZME-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)C1CCCC1 ZINC001492901610 984044121 /nfs/dbraw/zinc/04/41/21/984044121.db2.gz RELYRXWMEXQQHP-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@@H]([NH2+]CC=C)C12CCC2 ZINC001202593188 984115127 /nfs/dbraw/zinc/11/51/27/984115127.db2.gz YKXCKHUIGKCTCP-CHWSQXEVSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@H]([NH2+]CC=C)C12CCC2 ZINC001202593190 984116160 /nfs/dbraw/zinc/11/61/60/984116160.db2.gz YKXCKHUIGKCTCP-QWHCGFSZSA-N 1 0 248.370 2.156 20 30 BEEDRO CC#CC[C@H]([NH3+])C(=O)N[C@@H](C)CCCC(C)C ZINC001574963446 984122599 /nfs/dbraw/zinc/12/25/99/984122599.db2.gz UQLSTYMMFWOCLY-STQMWFEESA-N 1 0 238.375 2.058 20 30 BEEDRO SC1CC[NH+](CCC2CCOCC2)CC1 ZINC001202664260 984150520 /nfs/dbraw/zinc/15/05/20/984150520.db2.gz IVXYSHQKGRZLOF-UHFFFAOYSA-N 1 0 229.389 2.197 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(C)F ZINC001154105280 984173734 /nfs/dbraw/zinc/17/37/34/984173734.db2.gz VNNIOCGFQKJRKZ-NSHDSACASA-N 1 0 244.354 2.185 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000886367279 984188184 /nfs/dbraw/zinc/18/81/84/984188184.db2.gz SIRNUNUGMJODFQ-SNVBAGLBSA-N 1 0 235.249 2.258 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000717447431 984196281 /nfs/dbraw/zinc/19/62/81/984196281.db2.gz LPQGXWWPSCFBRV-LBPRGKRZSA-N 1 0 222.332 2.082 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000717521703 984210485 /nfs/dbraw/zinc/21/04/85/984210485.db2.gz OGNLWJBQXYGUMC-JHJVBQTASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC001253565349 984222025 /nfs/dbraw/zinc/22/20/25/984222025.db2.gz NMSFSLLIWBPBPJ-TZMCWYRMSA-N 1 0 217.312 2.201 20 30 BEEDRO N#CCc1cc(C2=CC[NH2+]CC2)ccc1C#N ZINC001240467712 984303781 /nfs/dbraw/zinc/30/37/81/984303781.db2.gz OYWQBSCMCSWBLN-UHFFFAOYSA-N 1 0 223.279 2.001 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cnc(C#N)c(C)n2)c1 ZINC001242994373 984358869 /nfs/dbraw/zinc/35/88/69/984358869.db2.gz JHUOYGMAISKAGG-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CCNC(=O)C(F)F ZINC001274662230 984361006 /nfs/dbraw/zinc/36/10/06/984361006.db2.gz HDYGKSLGFLZVPB-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cc(F)cnc2C#N)c1 ZINC001242997544 984362126 /nfs/dbraw/zinc/36/21/26/984362126.db2.gz UCVREBJUSDKVRX-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1(O)CCCCCC1 ZINC001307773227 984365049 /nfs/dbraw/zinc/36/50/49/984365049.db2.gz NFWSISNBHAIBAD-OLZOCXBDSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C1CCCCCC1 ZINC001274701784 984366797 /nfs/dbraw/zinc/36/67/97/984366797.db2.gz OTPGMBNOOLRGOP-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[NH2+]CCC(=C)C ZINC001274701660 984367190 /nfs/dbraw/zinc/36/71/90/984367190.db2.gz NANLOKZEGYYMRW-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1cc(C)cc(C)c1 ZINC000717958860 984371189 /nfs/dbraw/zinc/37/11/89/984371189.db2.gz VAKCRVTXHJPHPA-HNNXBMFYSA-N 1 0 231.339 2.167 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)c1ccco1 ZINC001320956192 984375452 /nfs/dbraw/zinc/37/54/52/984375452.db2.gz KKGRYMFTCFEHJB-ONEGZZNKSA-N 1 0 248.326 2.121 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1C[C@@H]1C ZINC001274762983 984376995 /nfs/dbraw/zinc/37/69/95/984376995.db2.gz FVQSDBHIAANAFE-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H]2[C@@H]1CCN2C ZINC001274974242 984426694 /nfs/dbraw/zinc/42/66/94/984426694.db2.gz FNRMJLFTSSXBGG-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]1c1ccccc1 ZINC001441398290 984475355 /nfs/dbraw/zinc/47/53/55/984475355.db2.gz SJAKZSBXGSKWLB-AWEZNQCLSA-N 1 0 244.338 2.078 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[C@H](C)C1 ZINC001442251747 984494178 /nfs/dbraw/zinc/49/41/78/984494178.db2.gz AIMSIYRYTIATDS-AAEUAGOBSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)/C(C)=C/C ZINC001275113373 984494438 /nfs/dbraw/zinc/49/44/38/984494438.db2.gz UFVANWJFOJJXPD-OXJBHRBVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC(=C)C ZINC001275273685 984527486 /nfs/dbraw/zinc/52/74/86/984527486.db2.gz HEJUNHNOQBAYNT-QWHCGFSZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(C)C ZINC001275366228 984544933 /nfs/dbraw/zinc/54/49/33/984544933.db2.gz MRLYPMMXEXHXHW-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C=C(CC)CC ZINC001275385333 984550561 /nfs/dbraw/zinc/55/05/61/984550561.db2.gz IFXYNPLSISKTAR-NEPJUHHUSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC001275462627 984568170 /nfs/dbraw/zinc/56/81/70/984568170.db2.gz WDHMIMFZSYLJIU-GHMZBOCLSA-N 1 0 226.364 2.090 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)CC ZINC001275480192 984571821 /nfs/dbraw/zinc/57/18/21/984571821.db2.gz GNHZFACKAOPYFG-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)C[C@H](C)CC ZINC001275519842 984592784 /nfs/dbraw/zinc/59/27/84/984592784.db2.gz BUIGLHSALKKYLS-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001275550506 984609323 /nfs/dbraw/zinc/60/93/23/984609323.db2.gz DLLXGRDMGGJAOD-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO CC[NH2+]C1CCN([C@H](C#N)c2ccccc2)CC1 ZINC001577818642 984803174 /nfs/dbraw/zinc/80/31/74/984803174.db2.gz WEJDBYGFECXBEF-OAHLLOKOSA-N 1 0 243.354 2.325 20 30 BEEDRO CC[NH2+]C1CCN([C@@H](C#N)c2ccccc2)CC1 ZINC001577818641 984803821 /nfs/dbraw/zinc/80/38/21/984803821.db2.gz WEJDBYGFECXBEF-HNNXBMFYSA-N 1 0 243.354 2.325 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257029379 984846643 /nfs/dbraw/zinc/84/66/43/984846643.db2.gz GVXXUHALVLIVHZ-YRGRVCCFSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001257079461 984850850 /nfs/dbraw/zinc/85/08/50/984850850.db2.gz CMDPIGHOGOYHCR-RNJOBUHISA-N 1 0 209.333 2.334 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000932156511 985013439 /nfs/dbraw/zinc/01/34/39/985013439.db2.gz GYHCTWRIQQERSR-ZDUSSCGKSA-N 1 0 224.348 2.165 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccco1 ZINC000685989328 985022533 /nfs/dbraw/zinc/02/25/33/985022533.db2.gz YABIDBOENPYHCK-MNOVXSKESA-N 1 0 222.288 2.201 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000686014879 985041347 /nfs/dbraw/zinc/04/13/47/985041347.db2.gz PSVIWNRZJSYCBV-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCOc1ccccc1-c1c[nH+]ccc1N ZINC001243583561 985138917 /nfs/dbraw/zinc/13/89/17/985138917.db2.gz AVGFFCGBRLJEMG-UHFFFAOYSA-N 1 0 225.251 2.064 20 30 BEEDRO N#CCOc1ccccc1-c1cccc(C[NH3+])n1 ZINC001243585435 985144045 /nfs/dbraw/zinc/14/40/45/985144045.db2.gz OYHGJYBOHOZJOH-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC1OCCO1 ZINC000686609465 985149317 /nfs/dbraw/zinc/14/93/17/985149317.db2.gz NGBBEXZRSXVIAT-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000686675129 985199131 /nfs/dbraw/zinc/19/91/31/985199131.db2.gz FVFKXSUJZUVPSD-CQSZACIVSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](CO)C1CCCC1 ZINC000686683148 985201642 /nfs/dbraw/zinc/20/16/42/985201642.db2.gz MDFXJAXUBAXRKQ-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO COc1ccc(-c2c[nH+]ccc2N)c(C#N)c1 ZINC001243732218 985248447 /nfs/dbraw/zinc/24/84/47/985248447.db2.gz YBYFVXUNFNHJBR-UHFFFAOYSA-N 1 0 225.251 2.041 20 30 BEEDRO CC[NH+](CC)CCNc1cc(C)c(C#N)cn1 ZINC001458062190 985256631 /nfs/dbraw/zinc/25/66/31/985256631.db2.gz JOPFTHTXRZZYCD-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO Cc1[nH+]cc(NC2=CC[C@H](C#N)CC2)n1C ZINC001212859842 985272828 /nfs/dbraw/zinc/27/28/28/985272828.db2.gz TXMSXEBMMNFACL-JTQLQIEISA-N 1 0 216.288 2.348 20 30 BEEDRO N#C[C@H]1CC=C(c2cc(C[NH3+])ccn2)CC1 ZINC001243786363 985339694 /nfs/dbraw/zinc/33/96/94/985339694.db2.gz HRKBYKOPEJYSLK-JTQLQIEISA-N 1 0 213.284 2.247 20 30 BEEDRO N#C[C@@H]1CC=C(c2ccc3c(n2)C[NH2+]CC3)CC1 ZINC001243801104 985371097 /nfs/dbraw/zinc/37/10/97/985371097.db2.gz WUNVPGFNMNOWRZ-LLVKDONJSA-N 1 0 239.322 2.434 20 30 BEEDRO Cc1ccnc(/C=C/C2CC[NH2+]CC2)c1C#N ZINC001243891674 985557983 /nfs/dbraw/zinc/55/79/83/985557983.db2.gz DWQDJQNUJFLGOR-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO N#Cc1ncc(F)cc1/C=C/C1CC[NH2+]CC1 ZINC001243896841 985585541 /nfs/dbraw/zinc/58/55/41/985585541.db2.gz RPLYEVLNVFEENK-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)s1 ZINC000688271007 985594865 /nfs/dbraw/zinc/59/48/65/985594865.db2.gz HAASXCUUSNSQAI-JTQLQIEISA-N 1 0 248.351 2.421 20 30 BEEDRO COC(=O)c1ccc(C2=C[NH2+]CCC2)cc1C#N ZINC001243951632 985655842 /nfs/dbraw/zinc/65/58/42/985655842.db2.gz BJEROXDNCLNWPH-UHFFFAOYSA-N 1 0 242.278 2.069 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000688500480 985657931 /nfs/dbraw/zinc/65/79/31/985657931.db2.gz LFDDTLGNEOSJHJ-BDAKNGLRSA-N 1 0 234.137 2.052 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CO1 ZINC000688524169 985665275 /nfs/dbraw/zinc/66/52/75/985665275.db2.gz ORHMQNDTGONSFL-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO COc1cc(C2=C[NH2+]CCC2)cc(F)c1C#N ZINC001243953760 985667566 /nfs/dbraw/zinc/66/75/66/985667566.db2.gz MSJKQLVASDBZCN-UHFFFAOYSA-N 1 0 232.258 2.430 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)CC#N ZINC001459970385 985680839 /nfs/dbraw/zinc/68/08/39/985680839.db2.gz RBKQGNBYANLQTA-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO CN(C)c1cc[nH+]c(-c2ccc(C#N)cc2N)c1 ZINC001244081393 985796183 /nfs/dbraw/zinc/79/61/83/985796183.db2.gz DGEGHQGIHAPQKD-UHFFFAOYSA-N 1 0 238.294 2.268 20 30 BEEDRO N#Cc1ccc(-c2cccn3c[nH+]cc23)c(N)c1 ZINC001244088258 985803906 /nfs/dbraw/zinc/80/39/06/985803906.db2.gz HWSRDQFDHWIWJK-UHFFFAOYSA-N 1 0 234.262 2.455 20 30 BEEDRO N#Cc1ccc(-c2cccc3c[nH+]cn32)c(N)c1 ZINC001244091055 985805554 /nfs/dbraw/zinc/80/55/54/985805554.db2.gz CDNXHYCOCLNISK-UHFFFAOYSA-N 1 0 234.262 2.455 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)SC ZINC001258325938 985808591 /nfs/dbraw/zinc/80/85/91/985808591.db2.gz GTKTUNDSULZPMZ-UWVGGRQHSA-N 1 0 217.378 2.043 20 30 BEEDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(Cl)cc1C#N ZINC001579447955 985934324 /nfs/dbraw/zinc/93/43/24/985934324.db2.gz ZQWGOFSEZNICIJ-SNVBAGLBSA-N 1 0 249.745 2.005 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)CCO1 ZINC001460962718 985970046 /nfs/dbraw/zinc/97/00/46/985970046.db2.gz IGHPQIGABNMJET-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO N#Cc1cnccc1-c1ccccc1C[NH3+] ZINC001244336855 985979839 /nfs/dbraw/zinc/97/98/39/985979839.db2.gz INMBQTXYYKHLLN-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001258687595 986011176 /nfs/dbraw/zinc/01/11/76/986011176.db2.gz MDZBEGJMGRZHEO-GRYCIOLGSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccc(C)cc1N ZINC001244392285 986033050 /nfs/dbraw/zinc/03/30/50/986033050.db2.gz WAXWFOYFPJIMAC-WYMLVPIESA-N 1 0 204.273 2.156 20 30 BEEDRO C=CCC[C@@H](C)N(CC[NH3+])c1ccccn1 ZINC001258719968 986048763 /nfs/dbraw/zinc/04/87/63/986048763.db2.gz NNLOYZQEJVTRMV-GFCCVEGCSA-N 1 0 219.332 2.201 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1CC(C(=O)OC)C1 ZINC001258721386 986053681 /nfs/dbraw/zinc/05/36/81/986053681.db2.gz UPCNHYSCQPYNTD-VOMCLLRMSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCCCNC(C)=O ZINC001258721295 986054281 /nfs/dbraw/zinc/05/42/81/986054281.db2.gz RMKSQYSNQNXGRW-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001258724586 986059492 /nfs/dbraw/zinc/05/94/92/986059492.db2.gz AIQOXGIEVBEDPE-OUAUKWLOSA-N 1 0 201.285 2.010 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001258726634 986068167 /nfs/dbraw/zinc/06/81/67/986068167.db2.gz VNHDAPUUJWNMAF-SRVKXCTJSA-N 1 0 215.312 2.136 20 30 BEEDRO Cc1cc(C#N)cc(NC2CC3(C[C@@H]3[NH3+])C2)c1 ZINC001579554079 986080464 /nfs/dbraw/zinc/08/04/64/986080464.db2.gz NBGOZDMIJOEBRV-MOKVOYLWSA-N 1 0 227.311 2.158 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCc2c(ncnc2OC)C1 ZINC001258734972 986100093 /nfs/dbraw/zinc/10/00/93/986100093.db2.gz LOXVYBIDZRTEAW-NSHDSACASA-N 1 0 247.342 2.198 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)Cc1ccncn1 ZINC001258736048 986107150 /nfs/dbraw/zinc/10/71/50/986107150.db2.gz JGWZQYMQOUMOAK-LLVKDONJSA-N 1 0 205.305 2.263 20 30 BEEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@H](C)[NH3+])c1 ZINC001579609309 986123986 /nfs/dbraw/zinc/12/39/86/986123986.db2.gz UNLRBZKPLVXRTO-IUCAKERBSA-N 1 0 221.279 2.153 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@H]21 ZINC001253579795 986140335 /nfs/dbraw/zinc/14/03/35/986140335.db2.gz UESPCSPPEPWRAK-FRRDWIJNSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H]2CCCC[C@@H]21 ZINC001253579793 986142582 /nfs/dbraw/zinc/14/25/82/986142582.db2.gz UESPCSPPEPWRAK-AGIUHOORSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001253581640 986147500 /nfs/dbraw/zinc/14/75/00/986147500.db2.gz DEDRVHWWUOIEFY-RYUDHWBXSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@@H](O)C[N@H+](Cc1ccccc1)C1CC1 ZINC001253584682 986155864 /nfs/dbraw/zinc/15/58/64/986155864.db2.gz QGKGRHOMZWYRMY-CQSZACIVSA-N 1 0 217.312 2.198 20 30 BEEDRO Cc1ccc(-c2ccc(C[NH3+])nc2)cc1C#N ZINC001244485493 986186306 /nfs/dbraw/zinc/18/63/06/986186306.db2.gz WINPMMFMVKIPTO-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001253597568 986223451 /nfs/dbraw/zinc/22/34/51/986223451.db2.gz FYTDGQVQTAYDOG-STQMWFEESA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1c[nH]c2c1cccc2C ZINC001253598508 986227173 /nfs/dbraw/zinc/22/71/73/986227173.db2.gz VCWPDJFILGYDQA-CYBMUJFWSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(F)cccc1Cl ZINC001253598503 986229315 /nfs/dbraw/zinc/22/93/15/986229315.db2.gz VAHKKGMFZLHVAB-QMMMGPOBSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1ccc(OC(C)C)cc1 ZINC001253602865 986253676 /nfs/dbraw/zinc/25/36/76/986253676.db2.gz MTGJAHAVDWZBLD-CQSZACIVSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC001253603297 986256226 /nfs/dbraw/zinc/25/62/26/986256226.db2.gz URYCMWNVNIZEIZ-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@@H]1c1cccc(Cl)c1 ZINC001253602906 986258769 /nfs/dbraw/zinc/25/87/69/986258769.db2.gz NOCQTVCBYKHEIX-XQQFMLRXSA-N 1 0 237.730 2.332 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2Cl ZINC001253605284 986260514 /nfs/dbraw/zinc/26/05/14/986260514.db2.gz QOHQKDXNNZIORZ-TVQRCGJNSA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC001253605285 986261977 /nfs/dbraw/zinc/26/19/77/986261977.db2.gz QOHQKDXNNZIORZ-ZANVPECISA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(F)c(Cl)c1F ZINC001253603638 986263424 /nfs/dbraw/zinc/26/34/24/986263424.db2.gz ZQEAXWBTZTYUHB-QMMMGPOBSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccccc2)CCC1 ZINC001253607672 986271027 /nfs/dbraw/zinc/27/10/27/986271027.db2.gz CPOQLXZUGSPDOT-CYBMUJFWSA-N 1 0 217.312 2.202 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC001253609693 986275744 /nfs/dbraw/zinc/27/57/44/986275744.db2.gz XRMQLLIUEGWEQK-TZMCWYRMSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001253610136 986285707 /nfs/dbraw/zinc/28/57/07/986285707.db2.gz AZLZEIAUDHVYDF-OPRDCNLKSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](CC)[C@@H]2C)nn1 ZINC001462122965 986285695 /nfs/dbraw/zinc/28/56/95/986285695.db2.gz GSOJQEDHYSCBAE-STQMWFEESA-N 1 0 248.374 2.475 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1cccc(F)c1OC ZINC001253611653 986289669 /nfs/dbraw/zinc/28/96/69/986289669.db2.gz SEKGPZIYRWSRGZ-ZJUUUORDSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC001253612506 986289845 /nfs/dbraw/zinc/28/98/45/986289845.db2.gz ZPAYIYMOAGVPKH-PELKAZGASA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@@H](O)CNC(=[NH2+])c1c(C)cccc1Cl ZINC001253612433 986290252 /nfs/dbraw/zinc/29/02/52/986290252.db2.gz ZJSWROWBUAVLFU-SECBINFHSA-N 1 0 238.718 2.110 20 30 BEEDRO C#C[C@H]([NH2+]C[C@]1(C)CCCCO1)C(C)C ZINC001462211299 986314664 /nfs/dbraw/zinc/31/46/64/986314664.db2.gz ODBPGHMXBSRBPG-STQMWFEESA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001462229699 986319650 /nfs/dbraw/zinc/31/96/50/986319650.db2.gz IWISBLPTKXGQQP-QNWHQSFQSA-N 1 0 209.333 2.092 20 30 BEEDRO Cc1c(C#N)cccc1-c1c[nH+]ccc1N ZINC001244815157 986341904 /nfs/dbraw/zinc/34/19/04/986341904.db2.gz KRZYOZYXKVOOBR-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001253728881 986344530 /nfs/dbraw/zinc/34/45/30/986344530.db2.gz RMKTWVMJTYRTTI-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000226091605 986345640 /nfs/dbraw/zinc/34/56/40/986345640.db2.gz CWHURUYQYYIVTM-OAHLLOKOSA-N 1 0 245.366 2.425 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC001462464383 986397322 /nfs/dbraw/zinc/39/73/22/986397322.db2.gz CAKYFQZEIIUSFH-BZUAXINKSA-N 1 0 243.350 2.081 20 30 BEEDRO CCCCCCC[N@@H+]1CCSC[C@H]1CO ZINC000689211405 986411266 /nfs/dbraw/zinc/41/12/66/986411266.db2.gz SLVFQGUNYRNQPW-GFCCVEGCSA-N 1 0 231.405 2.367 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccn1C(F)F ZINC001462532815 986417679 /nfs/dbraw/zinc/41/76/79/986417679.db2.gz JISBMMMEARDKIT-JTQLQIEISA-N 1 0 244.285 2.300 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccccc1NCC ZINC001462624036 986453354 /nfs/dbraw/zinc/45/33/54/986453354.db2.gz SUNBZMYGFHSBDY-UHFFFAOYSA-N 1 0 202.301 2.183 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1F ZINC001462685406 986500048 /nfs/dbraw/zinc/50/00/48/986500048.db2.gz OLUHNNLKOBKHIG-IACUBPJLSA-N 1 0 246.285 2.107 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C1CCC1)C2 ZINC001096944864 986524768 /nfs/dbraw/zinc/52/47/68/986524768.db2.gz QOPBSJUDAFYUOX-MCIONIFRSA-N 1 0 246.354 2.004 20 30 BEEDRO N#Cc1cccc(-c2cccc(C[NH3+])n2)c1F ZINC001245067436 986629202 /nfs/dbraw/zinc/62/92/02/986629202.db2.gz OQGNYDQQQDFMAQ-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2cccc(O)c2)C1 ZINC001254637229 986687568 /nfs/dbraw/zinc/68/75/68/986687568.db2.gz PIOJDIVQMWGGKJ-STQMWFEESA-N 1 0 230.311 2.217 20 30 BEEDRO N#C[C@H]1CC[C@@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001254639828 986692060 /nfs/dbraw/zinc/69/20/60/986692060.db2.gz XNWDUWPUARCHGC-JOYOIKCWSA-N 1 0 246.289 2.218 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001254645678 986697193 /nfs/dbraw/zinc/69/71/93/986697193.db2.gz FVJYZJCQHRZKAZ-DGCLKSJQSA-N 1 0 227.311 2.353 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001254645481 986697413 /nfs/dbraw/zinc/69/74/13/986697413.db2.gz CXRBTPQFUHGSOG-KOLCDFICSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC001254646036 986697560 /nfs/dbraw/zinc/69/75/60/986697560.db2.gz JGIUDAJBCAPZAQ-UBHSHLNASA-N 1 0 242.322 2.272 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C2 ZINC001254645214 986697600 /nfs/dbraw/zinc/69/76/00/986697600.db2.gz AZGWIORCMRRJCW-YYFQZIEXSA-N 1 0 247.386 2.284 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)C1CCC1 ZINC001493267685 986703406 /nfs/dbraw/zinc/70/34/06/986703406.db2.gz BJHCWOBUCOLYKJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@]1(CF)CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254660310 986706647 /nfs/dbraw/zinc/70/66/47/986706647.db2.gz HIVZQDRPODOSNL-IJLUTSLNSA-N 1 0 210.296 2.360 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CC3(C2)C[C@H](F)CS3)C1 ZINC001254668536 986715094 /nfs/dbraw/zinc/71/50/94/986715094.db2.gz GJQOLBRZJARANM-VWYCJHECSA-N 1 0 240.347 2.208 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC001254668209 986716590 /nfs/dbraw/zinc/71/65/90/986716590.db2.gz GPBGPSYLPQRBOK-KBPBESRZSA-N 1 0 229.327 2.248 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001254669007 986720059 /nfs/dbraw/zinc/72/00/59/986720059.db2.gz MRNQIZVNCRQMAW-SMDDNHRTSA-N 1 0 227.311 2.132 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC(C)(C)CC1 ZINC001465511721 986723593 /nfs/dbraw/zinc/72/35/93/986723593.db2.gz FDQULFMEDZUZRL-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC(CC)(CC)CC ZINC001466007154 986762046 /nfs/dbraw/zinc/76/20/46/986762046.db2.gz IWWFWOOXMVOHCQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccccc1O ZINC001255156324 986828192 /nfs/dbraw/zinc/82/81/92/986828192.db2.gz ZXGHGPWSCMMBHP-GFCCVEGCSA-N 1 0 218.300 2.217 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](CCSC)C(C)(C)O ZINC001255155205 986828217 /nfs/dbraw/zinc/82/82/17/986828217.db2.gz MXFVAKRBLSITQO-WDEREUQCSA-N 1 0 244.404 2.161 20 30 BEEDRO CC[C@@H](CC#N)n1nc(CC[NH3+])c2ccccc21 ZINC001255155898 986829333 /nfs/dbraw/zinc/82/93/33/986829333.db2.gz VDRACEKYLHBKFF-NSHDSACASA-N 1 0 242.326 2.402 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccc(OC)cc1 ZINC001255156464 986829512 /nfs/dbraw/zinc/82/95/12/986829512.db2.gz JWJRXYXZZZZIJQ-GXTWGEPZSA-N 1 0 248.326 2.010 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]C[C@@H](F)CC ZINC001496018839 986832156 /nfs/dbraw/zinc/83/21/56/986832156.db2.gz WUSGLNKTNAJDES-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO CC[C@H](CC#N)n1cnc2cccc(C[NH3+])c21 ZINC001255158103 986832208 /nfs/dbraw/zinc/83/22/08/986832208.db2.gz DZBHIHIYAFTCQP-LLVKDONJSA-N 1 0 228.299 2.360 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]C[C@H](F)CC ZINC001496018840 986833118 /nfs/dbraw/zinc/83/31/18/986833118.db2.gz WUSGLNKTNAJDES-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C#C[C@@](C)(CC)Nc1[nH+]cc(C)cc1N ZINC000384137867 986847240 /nfs/dbraw/zinc/84/72/40/986847240.db2.gz CLPHPKWRMHKWNR-LBPRGKRZSA-N 1 0 203.289 2.186 20 30 BEEDRO Cc1cc(-c2ccncc2C[NH3+])nc(C)c1C#N ZINC001245556815 986942621 /nfs/dbraw/zinc/94/26/21/986942621.db2.gz DQFCGAKUGSKDJT-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@H](C)c1ccc(C)cc1 ZINC001462332147 986944816 /nfs/dbraw/zinc/94/48/16/986944816.db2.gz IEBIRPAIESASCK-GOEBONIOSA-N 1 0 243.350 2.433 20 30 BEEDRO C=C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1 ZINC001255425347 986944969 /nfs/dbraw/zinc/94/49/69/986944969.db2.gz DQCTWTKOBXWRBV-ZIAGYGMSSA-N 1 0 216.328 2.207 20 30 BEEDRO N#CCc1ccccc1-c1ccncc1C[NH3+] ZINC001245561040 986953998 /nfs/dbraw/zinc/95/39/98/986953998.db2.gz YBKKYLIWOZJLOU-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO CN1CCC[C@H]([NH2+]C23CCC(C#N)(CC2)CC3)C1 ZINC001255471940 986972843 /nfs/dbraw/zinc/97/28/43/986972843.db2.gz KPWPQHUOQXGDED-NFOMZHRRSA-N 1 0 247.386 2.287 20 30 BEEDRO C[NH2+]Cc1cc(-c2cc(C)ccc2C#N)ncn1 ZINC001245601608 986982851 /nfs/dbraw/zinc/98/28/51/986982851.db2.gz VDLLEJZLBBBXES-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000691874135 987066778 /nfs/dbraw/zinc/06/67/78/987066778.db2.gz XDJJIUPQCGEDQP-GFCCVEGCSA-N 1 0 224.348 2.497 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2coc(C)c2)C1 ZINC001491010627 987099886 /nfs/dbraw/zinc/09/98/86/987099886.db2.gz IDHLNJJYEBHURS-BETUJISGSA-N 1 0 248.326 2.015 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CCC[C@H](C#N)C1 ZINC001255964752 987102151 /nfs/dbraw/zinc/10/21/51/987102151.db2.gz SJPGZOBEHIMAAA-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO N#Cc1c(F)ccnc1-c1ccc2c[nH+]cn2c1 ZINC001245894135 987102674 /nfs/dbraw/zinc/10/26/74/987102674.db2.gz GLUYKKAUJPYOHE-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2ccc(C#N)nn2)cc1 ZINC001245904594 987129999 /nfs/dbraw/zinc/12/99/99/987129999.db2.gz RXPAFVRURYTBRB-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CC1CCCC1 ZINC001491380979 987131532 /nfs/dbraw/zinc/13/15/32/987131532.db2.gz CZOCCYZDRLJVQO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001491387320 987143580 /nfs/dbraw/zinc/14/35/80/987143580.db2.gz DPWVGHAQQWTSPK-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO N#CCCCCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472134626 987186023 /nfs/dbraw/zinc/18/60/23/987186023.db2.gz GCLGAEATIOPARE-UHFFFAOYSA-N 1 0 242.282 2.357 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]C[C@@H](F)CC ZINC001491547946 987223587 /nfs/dbraw/zinc/22/35/87/987223587.db2.gz MXMHCBNNBUDUID-QWRGUYRKSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[NH2+]CC[C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001103796955 987251037 /nfs/dbraw/zinc/25/10/37/987251037.db2.gz ZOUVXPVJSHNZIA-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC=C)C2 ZINC001111644277 987287342 /nfs/dbraw/zinc/28/73/42/987287342.db2.gz PLMZKYFZZZQTHS-ZFWWWQNUSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCSCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000694033528 987316835 /nfs/dbraw/zinc/31/68/35/987316835.db2.gz JOZDRGCGBPWQCF-UHFFFAOYSA-N 1 0 245.351 2.019 20 30 BEEDRO CCCCCCCC[C@H](O)CN(C)C1C[NH2+]C1 ZINC001246046803 987342010 /nfs/dbraw/zinc/34/20/10/987342010.db2.gz QVMUABCZOVLUOD-AWEZNQCLSA-N 1 0 242.407 2.002 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC001473170291 987356066 /nfs/dbraw/zinc/35/60/66/987356066.db2.gz HPXNOXLOLOBJJV-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO CCCCCCCC[C@H](O)CN1CC[C@@H]([NH3+])C1 ZINC001246070911 987357549 /nfs/dbraw/zinc/35/75/49/987357549.db2.gz OVKGSXSRDBZCMU-KGLIPLIRSA-N 1 0 242.407 2.131 20 30 BEEDRO N#C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000698061768 987369533 /nfs/dbraw/zinc/36/95/33/987369533.db2.gz BPEVENLPGCFXMQ-FVCCEPFGSA-N 1 0 204.317 2.268 20 30 BEEDRO Cc1nc(C#N)n(CC[C@H]2CCCC[N@H+]2C)c1C ZINC000699973440 987381122 /nfs/dbraw/zinc/38/11/22/987381122.db2.gz CKZJMKUXKYQYNT-CYBMUJFWSA-N 1 0 246.358 2.246 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CNCCO1 ZINC001246086097 987385081 /nfs/dbraw/zinc/38/50/81/987385081.db2.gz BUCGLLFTIGDLAZ-ZIAGYGMSSA-N 1 0 242.407 2.313 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@](C)(O)c1ccccc1 ZINC001473288169 987389879 /nfs/dbraw/zinc/38/98/79/987389879.db2.gz SCXZLIVMONHJQB-INIZCTEOSA-N 1 0 243.350 2.239 20 30 BEEDRO C[C@@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC001246090429 987393512 /nfs/dbraw/zinc/39/35/12/987393512.db2.gz XKMCGMNPTGPHCU-ZOWXZIJZSA-N 1 0 243.354 2.349 20 30 BEEDRO CCCCCCC[C@H](CC)N[C@H]1C[NH2+]C[C@@H]1O ZINC001246098691 987411840 /nfs/dbraw/zinc/41/18/40/987411840.db2.gz CYNSVVYRHZHPII-IHRRRGAJSA-N 1 0 242.407 2.048 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1COC2(CCCCC2)O1 ZINC001473401686 987420145 /nfs/dbraw/zinc/42/01/45/987420145.db2.gz DBCFUKQAXWXMKM-GFCCVEGCSA-N 1 0 225.332 2.180 20 30 BEEDRO C=CCCCN1CC[NH+](C(C)(C)C)CC1 ZINC001116085372 987440845 /nfs/dbraw/zinc/44/08/45/987440845.db2.gz YWAAZKBSYXJZPY-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCCC[C@@H]1C ZINC001473539452 987470983 /nfs/dbraw/zinc/47/09/83/987470983.db2.gz IGVOKKIQIYCASH-BFHYXJOUSA-N 1 0 221.344 2.147 20 30 BEEDRO C=C(Cl)C[N@@H+](C)C(C)(C)CC(=O)OC ZINC001116351303 987526570 /nfs/dbraw/zinc/52/65/70/987526570.db2.gz DBFCJZFQGPFEKC-UHFFFAOYSA-N 1 0 219.712 2.012 20 30 BEEDRO N#CC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCCC1 ZINC001246190491 987581043 /nfs/dbraw/zinc/58/10/43/987581043.db2.gz NXADCJNPZLQTDG-PBWFPOADSA-N 1 0 247.386 2.476 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1nc(C)no1 ZINC001473857123 987588399 /nfs/dbraw/zinc/58/83/99/987588399.db2.gz DQZXZFZPTMFJKB-LLVKDONJSA-N 1 0 221.304 2.309 20 30 BEEDRO CC(CCCC[NH+](C)C)=NNCC(C)C ZINC001116515220 987610951 /nfs/dbraw/zinc/61/09/51/987610951.db2.gz AULKIBWXYMCCEH-UHFFFAOYSA-N 1 0 213.369 2.340 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCC[C@]23CCOC3)o1 ZINC001473895713 987605458 /nfs/dbraw/zinc/60/54/58/987605458.db2.gz STCRVKWFQNOKMY-CQSZACIVSA-N 1 0 246.310 2.296 20 30 BEEDRO C=CCC[NH2+][C@](C)(CC(=O)OC)c1cccnc1 ZINC001473910365 987616002 /nfs/dbraw/zinc/61/60/02/987616002.db2.gz QROHAZXHABBRDH-CQSZACIVSA-N 1 0 248.326 2.026 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCSC)C1 ZINC001116555294 987626396 /nfs/dbraw/zinc/62/63/96/987626396.db2.gz DTOXRNPGHQNVHL-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO CCCCCCC[C@@H](C)N[C@H]1C[NH2+]C[C@@H]1OC ZINC001246240905 987641924 /nfs/dbraw/zinc/64/19/24/987641924.db2.gz SBWLYCLRPXZSTR-RDBSUJKOSA-N 1 0 242.407 2.312 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC001116620170 987646369 /nfs/dbraw/zinc/64/63/69/987646369.db2.gz GEYSBGSNXBNWRU-PWSUYJOCSA-N 1 0 249.310 2.267 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(CC#N)n1 ZINC001116635984 987652560 /nfs/dbraw/zinc/65/25/60/987652560.db2.gz AORYFZGRKAHKEN-GFCCVEGCSA-N 1 0 246.358 2.290 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccn(CC)n1 ZINC001474202859 987658100 /nfs/dbraw/zinc/65/81/00/987658100.db2.gz YIYNOKPKNGCESI-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO CC1(C)CC(=O)C=C(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC001246266661 987662759 /nfs/dbraw/zinc/66/27/59/987662759.db2.gz KQGRHXDPBZARHW-FOSCPWQOSA-N 1 0 248.370 2.132 20 30 BEEDRO N#CCc1cccc(NCC[NH+]2CCCCC2)n1 ZINC001116662042 987663835 /nfs/dbraw/zinc/66/38/35/987663835.db2.gz NZMCVXRDCXBRAW-UHFFFAOYSA-N 1 0 244.342 2.045 20 30 BEEDRO C[C@]1(C[NH+]2CCC(C#N)CC2)CCCCO1 ZINC001474336014 987689590 /nfs/dbraw/zinc/68/95/90/987689590.db2.gz OQFKLVLMGWZLLL-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)nc(C)c1 ZINC001474481724 987733457 /nfs/dbraw/zinc/73/34/57/987733457.db2.gz DYAGMEWXQRDUJM-GFCCVEGCSA-N 1 0 202.301 2.152 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246334452 987741768 /nfs/dbraw/zinc/74/17/68/987741768.db2.gz CYVWWJYYHPBQPN-JQWIXIFHSA-N 1 0 222.307 2.414 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246334889 987743537 /nfs/dbraw/zinc/74/35/37/987743537.db2.gz FTTCCOGWIRDHJX-PWSUYJOCSA-N 1 0 222.307 2.414 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CCC[NH2+]C1 ZINC001246337320 987746643 /nfs/dbraw/zinc/74/66/43/987746643.db2.gz RMCWOSVEZBIUER-NSHDSACASA-N 1 0 208.280 2.025 20 30 BEEDRO C[C@@H](Cc1ccno1)[NH2+]CC1(C#N)CCCC1 ZINC001474610155 987777288 /nfs/dbraw/zinc/77/72/88/987777288.db2.gz SEWLEKYDJGSYQQ-NSHDSACASA-N 1 0 233.315 2.279 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001474635598 987785892 /nfs/dbraw/zinc/78/58/92/987785892.db2.gz CCJTWSAVDNCVNA-WCQYABFASA-N 1 0 219.332 2.032 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H]2COC[C@@H]21 ZINC001474642968 987788565 /nfs/dbraw/zinc/78/85/65/987788565.db2.gz UVQWSCSWSGDLAJ-WOPDTQHZSA-N 1 0 209.333 2.213 20 30 BEEDRO C[C@@H]([NH2+]CCNc1ncccc1C#N)C1CCC1 ZINC001474761428 987822003 /nfs/dbraw/zinc/82/20/03/987822003.db2.gz FYLOOZPKTUSTGD-LLVKDONJSA-N 1 0 244.342 2.143 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@H]1CC[NH2+][C@H](C)C1 ZINC001246465331 987823172 /nfs/dbraw/zinc/82/31/72/987823172.db2.gz VXVCCDNWSJXYQC-FRRDWIJNSA-N 1 0 223.364 2.045 20 30 BEEDRO N#CCCN(Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246522623 987872510 /nfs/dbraw/zinc/87/25/10/987872510.db2.gz DYSOTAQFDMOJDT-UHFFFAOYSA-N 1 0 243.354 2.154 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC001321455534 987906527 /nfs/dbraw/zinc/90/65/27/987906527.db2.gz RSBASGAMEPAJLW-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H](F)CC ZINC001479789114 987913591 /nfs/dbraw/zinc/91/35/91/987913591.db2.gz LCFYVCCZKDDPEN-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[N@@H+](C)CC ZINC001479773571 987915597 /nfs/dbraw/zinc/91/55/97/987915597.db2.gz ZSSVBSHZIQARQQ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CCC(=O)NCCC[N@@H+](CC)C1CC1 ZINC001479870447 987921456 /nfs/dbraw/zinc/92/14/56/987921456.db2.gz ZMVOWWMYZDZWQN-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[N@@H+](CC)C1CC1 ZINC001479874081 987922854 /nfs/dbraw/zinc/92/28/54/987922854.db2.gz MFODXOPSUSBTIF-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@H](C)CC ZINC001321500380 987927127 /nfs/dbraw/zinc/92/71/27/987927127.db2.gz DNVBNVSJHZXTGX-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001480039592 987942617 /nfs/dbraw/zinc/94/26/17/987942617.db2.gz FNUNEPUVBLHILR-UKRRQHHQSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1(C)CC=CC1 ZINC001321640181 987956455 /nfs/dbraw/zinc/95/64/55/987956455.db2.gz BBPWKUDLLPWJFA-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C)o2)C1 ZINC001480190431 987957800 /nfs/dbraw/zinc/95/78/00/987957800.db2.gz BVSSDCNAGUXXOC-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)CCC)C1 ZINC001480689779 988019171 /nfs/dbraw/zinc/01/91/71/988019171.db2.gz SLXJUECEDUMDJO-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)C(F)F ZINC001480744181 988022309 /nfs/dbraw/zinc/02/23/09/988022309.db2.gz HDYGKSLGFLZVPB-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001480789125 988034636 /nfs/dbraw/zinc/03/46/36/988034636.db2.gz AMMXIZWRZUBGSA-GXTWGEPZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C(C)(C)C ZINC001480805399 988036435 /nfs/dbraw/zinc/03/64/35/988036435.db2.gz IUUBZRRUYAUYIN-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C1(CC)CCC1 ZINC001480786411 988038455 /nfs/dbraw/zinc/03/84/55/988038455.db2.gz SSXFORQAGNGZQO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@H+](C)CCNC(=O)CC1=CCCCC1 ZINC001480849350 988056894 /nfs/dbraw/zinc/05/68/94/988056894.db2.gz WTURAQOVPLMHHA-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C(C)=C1CCC1 ZINC001493095489 988063245 /nfs/dbraw/zinc/06/32/45/988063245.db2.gz DJNFPYLNRZQJNQ-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(CCC)CC1 ZINC001321977582 988070088 /nfs/dbraw/zinc/07/00/88/988070088.db2.gz GVEAGJIROYMAKM-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@H+](CCNC(=O)C1CC=CC1)C1CC1 ZINC001493357486 988086777 /nfs/dbraw/zinc/08/67/77/988086777.db2.gz RENDERQEUYCMEY-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCOCC[N@@H+](C)CCc1ccccc1CC ZINC001322041081 988089237 /nfs/dbraw/zinc/08/92/37/988089237.db2.gz QLZBDSSMYPMUGI-UHFFFAOYSA-N 1 0 245.366 2.373 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CC[NH2+]CC1CC1 ZINC001493564553 988095717 /nfs/dbraw/zinc/09/57/17/988095717.db2.gz DWBVESZAQYUCSD-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@@H](C)CC(C)C ZINC001493758979 988116487 /nfs/dbraw/zinc/11/64/87/988116487.db2.gz DCJXUIMLPHTSLX-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CCC(C)C ZINC001322110137 988121486 /nfs/dbraw/zinc/12/14/86/988121486.db2.gz MLDLVTIJZGTIRP-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CCCC ZINC001322115963 988126153 /nfs/dbraw/zinc/12/61/53/988126153.db2.gz DBTKOAZFPLLHQG-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001246583700 988127764 /nfs/dbraw/zinc/12/77/64/988127764.db2.gz RLCTUPDSFGFXJK-ZJUUUORDSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001246589635 988152919 /nfs/dbraw/zinc/15/29/19/988152919.db2.gz SYAFKILCHHESGQ-QJPTWQEYSA-N 1 0 214.328 2.102 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001322223822 988161362 /nfs/dbraw/zinc/16/13/62/988161362.db2.gz NNFXMORSZPFFHR-FRRDWIJNSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)CC[C@@H](C)CC)C1 ZINC001494607849 988164916 /nfs/dbraw/zinc/16/49/16/988164916.db2.gz ZPVXAGWHWLUSOZ-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001494743163 988178591 /nfs/dbraw/zinc/17/85/91/988178591.db2.gz YDEYWKBELZWIQA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@@H](C)CCC ZINC001494953632 988203133 /nfs/dbraw/zinc/20/31/33/988203133.db2.gz MASIARVXPSIPTI-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)/C(C)=C/CC ZINC001494947864 988198717 /nfs/dbraw/zinc/19/87/17/988198717.db2.gz LIZATUHIORRUSC-RPHSKFLZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)[C@H](C)CCC ZINC001494953631 988204479 /nfs/dbraw/zinc/20/44/79/988204479.db2.gz MASIARVXPSIPTI-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)C(C)C ZINC001495068694 988217635 /nfs/dbraw/zinc/21/76/35/988217635.db2.gz IMRXUGVLXKZZIE-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)/C(C)=C/CC ZINC001495630947 988236981 /nfs/dbraw/zinc/23/69/81/988236981.db2.gz VZZYBGKUAJNHLR-FMNNIJNLSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)CCC ZINC001322383493 988237747 /nfs/dbraw/zinc/23/77/47/988237747.db2.gz KYGRVBSTBGPXQM-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H](C)CC ZINC001495652112 988239385 /nfs/dbraw/zinc/23/93/85/988239385.db2.gz NGDSOEQEQFFHIJ-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@@H]1C ZINC001322395608 988241369 /nfs/dbraw/zinc/24/13/69/988241369.db2.gz YFIORPBYRRERDT-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)C(C)C ZINC001495673670 988247544 /nfs/dbraw/zinc/24/75/44/988247544.db2.gz YKOGOADTAKMZPF-LBPRGKRZSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CC(C)C ZINC001495993286 988273756 /nfs/dbraw/zinc/27/37/56/988273756.db2.gz REUNPEPBMNGYRP-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC(=O)N[C@H](C[NH2+]C(C)C)CC(C)C ZINC001496261466 988300377 /nfs/dbraw/zinc/30/03/77/988300377.db2.gz MAQQHNHMKFCJPO-ZDUSSCGKSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)CC(C)C)C(C)C ZINC001496524105 988303052 /nfs/dbraw/zinc/30/30/52/988303052.db2.gz YCLKHBSIQQKCHR-ZDUSSCGKSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H]([NH2+]CCC)C(C)C ZINC001496567525 988306349 /nfs/dbraw/zinc/30/63/49/988306349.db2.gz RJWRINGPJJGSBO-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO N#CC1CCC(N2CCCC[C@]23CC[NH2+]C3)CC1 ZINC001246642746 988344725 /nfs/dbraw/zinc/34/47/25/988344725.db2.gz JKQUOROXSHFWPR-YMAMQOFZSA-N 1 0 247.386 2.287 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CCC[NH2+]CC ZINC001322658324 988358292 /nfs/dbraw/zinc/35/82/92/988358292.db2.gz VKHNUVNUIFRGNZ-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CCC1CCC1 ZINC001497163048 988361082 /nfs/dbraw/zinc/36/10/82/988361082.db2.gz FUUVSKUYQODROB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)/C(C)=C\C ZINC001497168673 988361137 /nfs/dbraw/zinc/36/11/37/988361137.db2.gz WCRLGFOKOBQFIJ-GWZUUTHWSA-N 1 0 244.766 2.190 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)/C(C)=C/C ZINC001497168672 988362950 /nfs/dbraw/zinc/36/29/50/988362950.db2.gz WCRLGFOKOBQFIJ-FZPLPXEFSA-N 1 0 244.766 2.190 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ncccc1C#N ZINC001322680091 988365149 /nfs/dbraw/zinc/36/51/49/988365149.db2.gz DKQMUUXPLJCOQJ-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)CC ZINC001497259980 988366259 /nfs/dbraw/zinc/36/62/59/988366259.db2.gz NEIFAZPGAKJHAB-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC)CC[NH2+]C(C)C ZINC001497399613 988380163 /nfs/dbraw/zinc/38/01/63/988380163.db2.gz ULZPNYVEPKQFGT-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)/C(C)=C/CC ZINC001497537359 988388347 /nfs/dbraw/zinc/38/83/47/988388347.db2.gz MNUZCVKHZJZWJY-ONVRAGQBSA-N 1 0 236.359 2.181 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)C1(C)CC(=C)C1 ZINC001497672314 988406570 /nfs/dbraw/zinc/40/65/70/988406570.db2.gz HIORCBOXCUOCMB-WAYWQWQTSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C1CCC(C(=O)N[C@H](C)C[NH2+]C(C)C)CC1 ZINC001497905126 988428316 /nfs/dbraw/zinc/42/83/16/988428316.db2.gz GJDCWOFZAOLGRA-GFCCVEGCSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCN[C@H](C(C)C)C1 ZINC001246686416 988430691 /nfs/dbraw/zinc/43/06/91/988430691.db2.gz NDYZZAVJXJDQDH-STQMWFEESA-N 1 0 210.365 2.271 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C[NH2+]CC)C1CC1 ZINC001323064778 988441156 /nfs/dbraw/zinc/44/11/56/988441156.db2.gz RCVCADVBXWVDQR-JSGCOSHPSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C[NH2+]C(C)C)C1CC1 ZINC001323047058 988442862 /nfs/dbraw/zinc/44/28/62/988442862.db2.gz LXUGUQHEZBNGST-GFCCVEGCSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H](C)CC ZINC001498013728 988445723 /nfs/dbraw/zinc/44/57/23/988445723.db2.gz KATHTTLXRWZQKY-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@H]1CC[C@H](N(CCC#N)C2CCCC2)C[NH2+]1 ZINC001246770753 988457207 /nfs/dbraw/zinc/45/72/07/988457207.db2.gz SEXYHBGGBCACAQ-JSGCOSHPSA-N 1 0 235.375 2.285 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246769927 988457244 /nfs/dbraw/zinc/45/72/44/988457244.db2.gz LZMVUJZHDFXZRU-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1C=CCC1 ZINC001323181114 988469913 /nfs/dbraw/zinc/46/99/13/988469913.db2.gz IZECOLPWQTUACZ-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+](C)CCC(C)C ZINC001498238638 988473676 /nfs/dbraw/zinc/47/36/76/988473676.db2.gz IPAAZJAFXSQNEX-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CC1CCC1 ZINC001498253713 988476788 /nfs/dbraw/zinc/47/67/88/988476788.db2.gz ZATVSPIINSMEQV-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)C=C(C)C ZINC001498514134 988487345 /nfs/dbraw/zinc/48/73/45/988487345.db2.gz ZHKORXUHBAWXQE-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H](F)CC ZINC001498595092 988497458 /nfs/dbraw/zinc/49/74/58/988497458.db2.gz WZLGSPLVGWPRQB-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)[C@H](C)CCC)C1CC1 ZINC001498737998 988501847 /nfs/dbraw/zinc/50/18/47/988501847.db2.gz HBCAXOLNTLPOGF-DGCLKSJQSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CCC=C ZINC001498944510 988514681 /nfs/dbraw/zinc/51/46/81/988514681.db2.gz OXCNXXUHWNUGPM-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(CCC)CC1 ZINC001323486333 988538429 /nfs/dbraw/zinc/53/84/29/988538429.db2.gz ZZNVIOQXXFZDRR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOCCO[NH+]=C1CCN(C)c2ccccc21 ZINC001323519771 988544974 /nfs/dbraw/zinc/54/49/74/988544974.db2.gz RIJHBRIMJDBDEA-UHFFFAOYSA-N 1 0 248.326 2.284 20 30 BEEDRO C[C@@H](CC#N)N[NH+]=C1CCN(C)c2ccccc21 ZINC001323517506 988547945 /nfs/dbraw/zinc/54/79/45/988547945.db2.gz HVWDSZJVEAVEAA-NSHDSACASA-N 1 0 242.326 2.122 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001499338984 988548192 /nfs/dbraw/zinc/54/81/92/988548192.db2.gz FAHZOEVKURCXTL-CYBMUJFWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@H](C)C1 ZINC001499813100 988556605 /nfs/dbraw/zinc/55/66/05/988556605.db2.gz HOUUOMNFISKDHI-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@H](C)C1 ZINC001499813099 988556878 /nfs/dbraw/zinc/55/68/78/988556878.db2.gz HOUUOMNFISKDHI-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)CC ZINC001499889250 988562114 /nfs/dbraw/zinc/56/21/14/988562114.db2.gz SRXZMTMIWRMKKW-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)C(CC)CC)C1 ZINC001500183306 988576065 /nfs/dbraw/zinc/57/60/65/988576065.db2.gz KJMIWNUQKSYJOV-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@](C)(C[NH2+]CC)C1 ZINC001500368363 988579603 /nfs/dbraw/zinc/57/96/03/988579603.db2.gz QPCJPHORVVASEE-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC001323686204 988584748 /nfs/dbraw/zinc/58/47/48/988584748.db2.gz OECWHRPNXMGTQB-LLVKDONJSA-N 1 0 227.373 2.159 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(C(=O)OC)c1)C(C)C ZINC001323710037 988595131 /nfs/dbraw/zinc/59/51/31/988595131.db2.gz BNGTZCKNWMRFKE-CQSZACIVSA-N 1 0 245.322 2.221 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+]([C@H](C)C#CCC)C1 ZINC001323729048 988596703 /nfs/dbraw/zinc/59/67/03/988596703.db2.gz NOIRHBGVJZZOHN-CHWSQXEVSA-N 1 0 207.317 2.065 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC001323727055 988602223 /nfs/dbraw/zinc/60/22/23/988602223.db2.gz FEVNMZFHZGTYDN-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCC(=O)N(C)CCC[N@@H+](C)C(C)C ZINC001502164839 988634474 /nfs/dbraw/zinc/63/44/74/988634474.db2.gz BKVZZDBBOMVGFO-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CCCC)C[C@@H]1C ZINC001502700822 988644607 /nfs/dbraw/zinc/64/46/07/988644607.db2.gz FYDRRZJKQXQAOA-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(C)ccc1OC ZINC001324016929 988667935 /nfs/dbraw/zinc/66/79/35/988667935.db2.gz SKJMXYLSWSVETI-ZDUSSCGKSA-N 1 0 235.327 2.294 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)CC(C)(C)C)C1 ZINC001505480903 988680589 /nfs/dbraw/zinc/68/05/89/988680589.db2.gz KJCWSABVULALCD-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)C ZINC001505563084 988696734 /nfs/dbraw/zinc/69/67/34/988696734.db2.gz WIKDVRPEMPHAHK-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC1CCC1 ZINC001505582339 988700908 /nfs/dbraw/zinc/70/09/08/988700908.db2.gz QBMCSEXRXDNHSP-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(C)C ZINC001505613240 988707913 /nfs/dbraw/zinc/70/79/13/988707913.db2.gz FQBWKEIKVDKTCR-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC(C)(C)C[NH2+]CC ZINC001505828042 988713081 /nfs/dbraw/zinc/71/30/81/988713081.db2.gz FCRPRYKNORRRTR-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](C)CC1CCC1 ZINC001505884907 988727241 /nfs/dbraw/zinc/72/72/41/988727241.db2.gz QBVMAZDOUBFXPA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CCC ZINC001505886433 988728328 /nfs/dbraw/zinc/72/83/28/988728328.db2.gz IBASUOHOCCJYBP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC001506723234 988788910 /nfs/dbraw/zinc/78/89/10/988788910.db2.gz IXDAHIMFKQVOGC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H](CCNC(=O)C1CC1)C(C)C ZINC001506979982 988801022 /nfs/dbraw/zinc/80/10/22/988801022.db2.gz XZKAPUJRQXQDBU-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@H]([NH3+])CN(C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001246979873 988810460 /nfs/dbraw/zinc/81/04/60/988810460.db2.gz FFWZKIBNIBLHQF-WFASDCNBSA-N 1 0 245.370 2.158 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001507119034 988819015 /nfs/dbraw/zinc/81/90/15/988819015.db2.gz RBPLJKNJHSBFJL-TZMCWYRMSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[C@H](C)N1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246995268 988829353 /nfs/dbraw/zinc/82/93/53/988829353.db2.gz YORMZDFWPYPFLQ-VHSXEESVSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C=C(C)C)[C@@H]1C ZINC001507267868 988831673 /nfs/dbraw/zinc/83/16/73/988831673.db2.gz CUIWKEBTZSSFIP-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(\C)CC)[C@@H]1C ZINC001507277357 988832585 /nfs/dbraw/zinc/83/25/85/988832585.db2.gz BRVQGLSEZVUGGC-HRFIDBLHSA-N 1 0 236.359 2.108 20 30 BEEDRO N#CC1CCC(N2CC[C@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014509 988839857 /nfs/dbraw/zinc/83/98/57/988839857.db2.gz KOEDXWNMEMKBOD-HXSCFSKGSA-N 1 0 247.386 2.143 20 30 BEEDRO C=CCC[C@H](C)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247013657 988841258 /nfs/dbraw/zinc/84/12/58/988841258.db2.gz HODZIJRYYUSXFW-MJBXVCDLSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001119237343 988852766 /nfs/dbraw/zinc/85/27/66/988852766.db2.gz UATAXVJFCGTCQC-ICIURTGMSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CC[N@@H+](C[C@H](CC(C)C)OC)CC1CC1 ZINC001119234366 988853390 /nfs/dbraw/zinc/85/33/90/988853390.db2.gz AVJJFKAVPOYKAK-AWEZNQCLSA-N 1 0 223.360 2.393 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC001119237465 988853785 /nfs/dbraw/zinc/85/37/85/988853785.db2.gz HDCPREUGQKSDDY-STQMWFEESA-N 1 0 239.359 2.269 20 30 BEEDRO C[C@@H]1CC(=NOC(C)(C)C)C[N@@H+]1C1CC1 ZINC001324557703 988872328 /nfs/dbraw/zinc/87/23/28/988872328.db2.gz FVMQBLZCGFGGNN-SECBINFHSA-N 1 0 210.321 2.414 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC001119301097 988910662 /nfs/dbraw/zinc/91/06/62/988910662.db2.gz PHONRFOLWCPQIB-ZIAGYGMSSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H](C)C2)C1 ZINC001324793539 988982120 /nfs/dbraw/zinc/98/21/20/988982120.db2.gz PZUBPWOUKDQRAP-BFHYXJOUSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC001324793542 988984974 /nfs/dbraw/zinc/98/49/74/988984974.db2.gz PZUBPWOUKDQRAP-MGPQQGTHSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CC[C@H](C)OC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001119354906 988997177 /nfs/dbraw/zinc/99/71/77/988997177.db2.gz NQNKDMFTWSLWFL-TUAOUCFPSA-N 1 0 225.332 2.367 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(=O)NCC(C)C)C1CC1 ZINC001324958075 989033755 /nfs/dbraw/zinc/03/37/55/989033755.db2.gz LGJXRKZHFMPWJD-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C#Cc1ccc(NC[C@H]2CCCC[N@H+]2CC)nc1 ZINC001515457565 989047381 /nfs/dbraw/zinc/04/73/81/989047381.db2.gz CUQJSDWSKJBCFK-CQSZACIVSA-N 1 0 243.354 2.349 20 30 BEEDRO CCCCCCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC001119419224 989055929 /nfs/dbraw/zinc/05/59/29/989055929.db2.gz OXYSEYUJKFLVJL-RYUDHWBXSA-N 1 0 241.379 2.088 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCCC ZINC001119450317 989083641 /nfs/dbraw/zinc/08/36/41/989083641.db2.gz PGADYVWDTSHWOB-MGPQQGTHSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCC1CCCC1 ZINC001119515807 989121810 /nfs/dbraw/zinc/12/18/10/989121810.db2.gz LJEDGLMAEXJDNT-TZMCWYRMSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC001119515283 989122128 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N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc3n[nH]cc32)C1 ZINC001308443045 990997722 /nfs/dbraw/zinc/99/77/22/990997722.db2.gz BIPGHXWINUAEQA-CMPLNLGQSA-N 1 0 240.310 2.345 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CCCC(=O)OCC ZINC001258106501 991018394 /nfs/dbraw/zinc/01/83/94/991018394.db2.gz DBQGWPDLBCXDGP-TZMCWYRMSA-N 1 0 239.359 2.500 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001258171139 991067464 /nfs/dbraw/zinc/06/74/64/991067464.db2.gz OKMHPANNLDQPSF-WDNDVIMCSA-N 1 0 203.329 2.380 20 30 BEEDRO C[C@@H](Cc1ccco1)N1CC[C@@H](C#N)C1 ZINC001258196480 991112734 /nfs/dbraw/zinc/11/27/34/991112734.db2.gz XGNXAODSCIOAIR-QWRGUYRKSA-N 1 0 204.273 2.056 20 30 BEEDRO C#CCN1CC[NH+](C2CCCCCCC2)CC1 ZINC001258240075 991184823 /nfs/dbraw/zinc/18/48/23/991184823.db2.gz JETICPWPUDNMRP-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001308883831 991200973 /nfs/dbraw/zinc/20/09/73/991200973.db2.gz WBVZUPHDFYCYSW-RWMBFGLXSA-N 1 0 211.349 2.031 20 30 BEEDRO C#C[C@@H](CO)[NH2+]C1CCC2(CCCCC2)CC1 ZINC001308883020 991203483 /nfs/dbraw/zinc/20/34/83/991203483.db2.gz OJBSXZGSTILUTA-ZDUSSCGKSA-N 1 0 235.371 2.463 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3[C@H](C2)C3(F)F)C1 ZINC001559665595 991205521 /nfs/dbraw/zinc/20/55/21/991205521.db2.gz OEFBWHOIMYQLBD-YTWAJWBKSA-N 1 0 226.270 2.266 20 30 BEEDRO CCCn1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC001202914266 991213967 /nfs/dbraw/zinc/21/39/67/991213967.db2.gz UTYXRDSQIJTDBW-GXTWGEPZSA-N 1 0 246.358 2.383 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2CCCC(C)(C)C2)CC1 ZINC001258290818 991231338 /nfs/dbraw/zinc/23/13/38/991231338.db2.gz WTFKGRXXRDGGEO-CQSZACIVSA-N 1 0 234.387 2.206 20 30 BEEDRO CC[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)[C@@H]1C ZINC001559769380 991247324 /nfs/dbraw/zinc/24/73/24/991247324.db2.gz NRQFZOPKCZJBFW-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCCC[N@@H+]1CCN(CC)C(=O)[C@@H]1CC ZINC001559771284 991255474 /nfs/dbraw/zinc/25/54/74/991255474.db2.gz QJMWARWESKADEF-ZDUSSCGKSA-N 1 0 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C=C(C)C[N@H+](CCC)CCNC(=O)[C@H]1C[C@H]1C ZINC001317539317 991378162 /nfs/dbraw/zinc/37/81/62/991378162.db2.gz SLAVZFKEKWPICG-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC[NH+]1CCN(Cc2ccno2)CC1 ZINC001560101766 991382222 /nfs/dbraw/zinc/38/22/22/991382222.db2.gz VBMYVVGUZIDJEK-UHFFFAOYSA-N 1 0 249.358 2.149 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ncccn2)CC1 ZINC001560157084 991397340 /nfs/dbraw/zinc/39/73/40/991397340.db2.gz MEHWUZGPOSZJND-LBPRGKRZSA-N 1 0 244.342 2.348 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)C ZINC001328978051 991398521 /nfs/dbraw/zinc/39/85/21/991398521.db2.gz NANCHLYOFMBRLB-WDEREUQCSA-N 1 0 246.782 2.268 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H](C)CC1CC1 ZINC001258454561 991407159 /nfs/dbraw/zinc/40/71/59/991407159.db2.gz MMOULSGMYDJEFT-OCCSQVGLSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1CCn1ccccc1=O ZINC001560199913 991407546 /nfs/dbraw/zinc/40/75/46/991407546.db2.gz HJCNRTXTFRONPO-AWEZNQCLSA-N 1 0 246.354 2.279 20 30 BEEDRO N#Cc1cc(F)cc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001139876173 991407778 /nfs/dbraw/zinc/40/77/78/991407778.db2.gz NVVANEOLYLQFQS-ZSOGYDGISA-N 1 0 248.276 2.345 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)[C@@H](C)CCC ZINC001316815135 991408651 /nfs/dbraw/zinc/40/86/51/991408651.db2.gz GNIKHHUAHSWSHB-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CCC)C1=O ZINC001560201027 991413363 /nfs/dbraw/zinc/41/33/63/991413363.db2.gz CUESUKXGZTUWEG-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)/C=C(/C)CC ZINC001316822193 991415978 /nfs/dbraw/zinc/41/59/78/991415978.db2.gz NZMDXWWBPGXLPZ-RAXLEYEMSA-N 1 0 238.375 2.357 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@]1(CO)c1ccccc1 ZINC001560231447 991429759 /nfs/dbraw/zinc/42/97/59/991429759.db2.gz SZIVSDLVMXBCMZ-HNNXBMFYSA-N 1 0 244.338 2.274 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC=CC12CCCCC2 ZINC001560236093 991437419 /nfs/dbraw/zinc/43/74/19/991437419.db2.gz DTQOASTZRDOOLM-CYBMUJFWSA-N 1 0 234.343 2.490 20 30 BEEDRO C=CC[NH+]1CCC2(C[C@H]2NC(=O)/C(C)=C/C)CC1 ZINC001316996337 991438420 /nfs/dbraw/zinc/43/84/20/991438420.db2.gz LDAGIVKMFSCKOB-YQJFHSMKSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H](C)CCC(=O)OCC ZINC001258472048 991442505 /nfs/dbraw/zinc/44/25/05/991442505.db2.gz INDVZJYCGAXOIM-GFCCVEGCSA-N 1 0 239.359 2.500 20 30 BEEDRO C=CC[N@H+](Cc1cccnn1)C(C)(C)C ZINC001139973802 991443074 /nfs/dbraw/zinc/44/30/74/991443074.db2.gz KCFJCAJIMHKHNP-UHFFFAOYSA-N 1 0 205.305 2.263 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CCC(=O)OCC ZINC001258479535 991453526 /nfs/dbraw/zinc/45/35/26/991453526.db2.gz IDRKRYLNTIXZBB-AAEUAGOBSA-N 1 0 225.332 2.110 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)co2)C1 ZINC001317117444 991455217 /nfs/dbraw/zinc/45/52/17/991455217.db2.gz VQBWGDVHJKRAHE-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)c1ccccc1C ZINC001317222842 991462876 /nfs/dbraw/zinc/46/28/76/991462876.db2.gz DYKNSPFLODAEHM-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@@H](C)CCC ZINC001317230359 991468480 /nfs/dbraw/zinc/46/84/80/991468480.db2.gz VHLZAIYGQJBTTJ-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@H](C)CCC ZINC001317230358 991470136 /nfs/dbraw/zinc/47/01/36/991470136.db2.gz VHLZAIYGQJBTTJ-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C(F)=C1CCCC1 ZINC001317240874 991475771 /nfs/dbraw/zinc/47/57/71/991475771.db2.gz SCTPHQMQIFIYJD-JTQLQIEISA-N 1 0 240.322 2.064 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)C1(C)CC1 ZINC001317241418 991475993 /nfs/dbraw/zinc/47/59/93/991475993.db2.gz LDGMPEXLYZVKBS-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[NH2+]CC[C@H](C)F ZINC001317246287 991478967 /nfs/dbraw/zinc/47/89/67/991478967.db2.gz VCOLEUQWUCQEMY-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C(C)(C)CCC ZINC001317269813 991483555 /nfs/dbraw/zinc/48/35/55/991483555.db2.gz SRENVVBQCCQWMT-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC)C1 ZINC001317310148 991491091 /nfs/dbraw/zinc/49/10/91/991491091.db2.gz HIMJCBZKDBEPIV-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC)C1 ZINC001317310146 991491868 /nfs/dbraw/zinc/49/18/68/991491868.db2.gz HIMJCBZKDBEPIV-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[NH2+]CCCC)C1 ZINC001317312067 991491954 /nfs/dbraw/zinc/49/19/54/991491954.db2.gz DPUKEFRCPZDYNZ-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CCC(C)(C)C1 ZINC001258594538 991492009 /nfs/dbraw/zinc/49/20/09/991492009.db2.gz JKHYZMIZBOLTKJ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[C@@H](C)[NH2+]CCC)C1 ZINC001317406404 991501185 /nfs/dbraw/zinc/50/11/85/991501185.db2.gz UHYDHQUQKITHSD-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO Oc1ccc(C[NH+]2CCC(S)CC2)c(F)c1 ZINC001140128900 991528925 /nfs/dbraw/zinc/52/89/25/991528925.db2.gz JEIZPYLBNGJOBG-UHFFFAOYSA-N 1 0 241.331 2.426 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)CCC1(C)CC1 ZINC001317467119 991535274 /nfs/dbraw/zinc/53/52/74/991535274.db2.gz DPOSNWVUGRIJRT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)Cc1cccnc1 ZINC001258614632 991541723 /nfs/dbraw/zinc/54/17/23/991541723.db2.gz SGBDPNHFKCXTSO-OCCSQVGLSA-N 1 0 216.328 2.404 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1cccnc1 ZINC001258615593 991543001 /nfs/dbraw/zinc/54/30/01/991543001.db2.gz KVSOBMHBROSYJW-DGCLKSJQSA-N 1 0 217.316 2.294 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC001317520952 991544557 /nfs/dbraw/zinc/54/45/57/991544557.db2.gz SWRXBWQAGHNIFF-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@@H](OC)[C@@H](C)CC ZINC001560688082 991555786 /nfs/dbraw/zinc/55/57/86/991555786.db2.gz XHAUFGCXZHMYKF-UONOGXRCSA-N 1 0 221.344 2.006 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C)CC ZINC001317571747 991556417 /nfs/dbraw/zinc/55/64/17/991556417.db2.gz VSPKFMDEUSMRFH-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC1(C)C ZINC001317621863 991566955 /nfs/dbraw/zinc/56/69/55/991566955.db2.gz XSAGBMMXOHZLRK-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1C[C@H]1c1cnn(C)c1)C1CC1 ZINC001560741635 991582001 /nfs/dbraw/zinc/58/20/01/991582001.db2.gz FGMUSNOFMDLHKJ-SMDDNHRTSA-N 1 0 231.343 2.174 20 30 BEEDRO COC1(C[NH2+]C[C@@H](C)C#N)CCCCCC1 ZINC001560747795 991585617 /nfs/dbraw/zinc/58/56/17/991585617.db2.gz XZXDEBYLDWYNDD-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]nc2ccc(C)cc21 ZINC001140329841 991610029 /nfs/dbraw/zinc/61/00/29/991610029.db2.gz BINSDHZHYGYOOR-UHFFFAOYSA-N 1 0 215.300 2.489 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001560817760 991610752 /nfs/dbraw/zinc/61/07/52/991610752.db2.gz BYLUMGJTEAJACH-CXQJBGSLSA-N 1 0 237.343 2.108 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(O)c(F)c1F)C(C)C ZINC001560818500 991612235 /nfs/dbraw/zinc/61/22/35/991612235.db2.gz JFUZZJCRYGJCID-JTQLQIEISA-N 1 0 239.265 2.418 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C=C[C@@H]1OCC[C@H]1C[NH2+]CCSC(C)C ZINC001560895417 991641807 /nfs/dbraw/zinc/64/18/07/991641807.db2.gz PIBWKXGYWRWPCV-RYUDHWBXSA-N 1 0 229.389 2.309 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C)c(OC)n2)C1 ZINC001560906719 991644376 /nfs/dbraw/zinc/64/43/76/991644376.db2.gz RBTPWDCVYGQZIO-CYBMUJFWSA-N 1 0 244.338 2.244 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cnc(C)nc1 ZINC001258718313 991645040 /nfs/dbraw/zinc/64/50/40/991645040.db2.gz LFEHCDOBOUKNEG-SNVBAGLBSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1cncnc1 ZINC001258718140 991646328 /nfs/dbraw/zinc/64/63/28/991646328.db2.gz HVTGEXLUKQRURI-QWRGUYRKSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001258721023 991653015 /nfs/dbraw/zinc/65/30/15/991653015.db2.gz LDUFQWSDHWVLND-VIFPVBQESA-N 1 0 221.329 2.459 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(=O)c1cccnc1 ZINC001258722843 991655217 /nfs/dbraw/zinc/65/52/17/991655217.db2.gz VCLKSGHPLJLQKC-NSHDSACASA-N 1 0 218.300 2.209 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@]12CCCOC2 ZINC001258723769 991659166 /nfs/dbraw/zinc/65/91/66/991659166.db2.gz DMDBXPFXWNBFFA-XQQFMLRXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@H](C)n1c(C[NH3+])ccc1C(=O)OC ZINC001258724376 991659727 /nfs/dbraw/zinc/65/97/27/991659727.db2.gz VLZSKYKDZFJPQL-JTQLQIEISA-N 1 0 236.315 2.261 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCCN(C(=O)OC)CC1 ZINC001258725755 991662148 /nfs/dbraw/zinc/66/21/48/991662148.db2.gz MWXNSAZQLQFYQJ-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC001560942054 991662565 /nfs/dbraw/zinc/66/25/65/991662565.db2.gz GBSYGSJKRMGMKD-RBSFLKMASA-N 1 0 231.339 2.317 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001258724613 991662864 /nfs/dbraw/zinc/66/28/64/991662864.db2.gz ATVODSAHSSIWHI-MNOVXSKESA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)c1ccc(O)cc1 ZINC001258725685 991663606 /nfs/dbraw/zinc/66/36/06/991663606.db2.gz MZMNGCLCJKCEFY-RISCZKNCSA-N 1 0 235.327 2.370 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234.387 2.252 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC001258734771 991685008 /nfs/dbraw/zinc/68/50/08/991685008.db2.gz JBXFRHWMIZOXOV-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(N2CCC(F)(F)C2)C1 ZINC001258734647 991685653 /nfs/dbraw/zinc/68/56/53/991685653.db2.gz HLXDBCXAEXKLOC-LLVKDONJSA-N 1 0 244.329 2.366 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H](C(=O)OC)C2(CC2)C1 ZINC001258735759 991685781 /nfs/dbraw/zinc/68/57/81/991685781.db2.gz BDIHIZZXCDNWCP-RYUDHWBXSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC001258736099 991690715 /nfs/dbraw/zinc/69/07/15/991690715.db2.gz KSNXUQGTVSOHOY-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO CC#CCN(C)Cc1ccc(C)cc1OC ZINC001561032784 991692654 /nfs/dbraw/zinc/69/26/54/991692654.db2.gz QKMUHQWSESAAEB-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)c1ccc[nH]1 ZINC001567948722 991694149 /nfs/dbraw/zinc/69/41/49/991694149.db2.gz LXWFRBUOXGTXEZ-LBPRGKRZSA-N 1 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236.403 2.452 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C1CCC1 ZINC001319149249 991799338 /nfs/dbraw/zinc/79/93/38/991799338.db2.gz HOPZJDFEQUFWLV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)c1ccccc1 ZINC001319152791 991802852 /nfs/dbraw/zinc/80/28/52/991802852.db2.gz CCXFBZNYFINPHU-ZDUSSCGKSA-N 1 0 246.354 2.218 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)C[NH2+]C/C=C/Cl ZINC001319166210 991807527 /nfs/dbraw/zinc/80/75/27/991807527.db2.gz ARXANSJQQNUCBE-OKPNEXGHSA-N 1 0 244.766 2.047 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001565850550 991813932 /nfs/dbraw/zinc/81/39/32/991813932.db2.gz OLHDBMZEKZQKSZ-MBNYWOFBSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H]1CCC[C@@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001258814674 991824701 /nfs/dbraw/zinc/82/47/01/991824701.db2.gz XDDTVDCOKLUGMN-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H]1CCC[C@@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001258814677 991825488 /nfs/dbraw/zinc/82/54/88/991825488.db2.gz XDDTVDCOKLUGMN-QWHCGFSZSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)CC(C)C)CCCC1 ZINC001319330854 991843051 /nfs/dbraw/zinc/84/30/51/991843051.db2.gz GUBMCXLXCOGFFI-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)C/C=C(/C)C=C ZINC001566482263 991856877 /nfs/dbraw/zinc/85/68/77/991856877.db2.gz HMOMJDWZDATCNW-JYRVWZFOSA-N 1 0 236.359 2.133 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)onc1CC)CC1CC1 ZINC001319446494 991869116 /nfs/dbraw/zinc/86/91/16/991869116.db2.gz RLIMOYKNQQKIAZ-UHFFFAOYSA-N 1 0 232.327 2.391 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]([NH2+]CCC)C1CC1 ZINC001566712863 991870336 /nfs/dbraw/zinc/87/03/36/991870336.db2.gz RXXLDJJRCKXBNU-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CCCC ZINC001319455903 991872011 /nfs/dbraw/zinc/87/20/11/991872011.db2.gz YPEDQORWCZHZJB-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1c[nH]c(Nc2cccc(F)c2C#N)[nH+]1 ZINC001319490765 991877622 /nfs/dbraw/zinc/87/76/22/991877622.db2.gz 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992181881 /nfs/dbraw/zinc/18/18/81/992181881.db2.gz LVMCWXRRBFLXBH-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1CC=CC1 ZINC001568523760 992181945 /nfs/dbraw/zinc/18/19/45/992181945.db2.gz FNZWOXCOTCIMKK-KBPBESRZSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)/C(C)=C\C ZINC001568522983 992182463 /nfs/dbraw/zinc/18/24/63/992182463.db2.gz BODFNHOHAPSFJE-DBUDNELGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)c1cccc(C)c1 ZINC001568602467 992193818 /nfs/dbraw/zinc/19/38/18/992193818.db2.gz NUZPZVUBGQJCDJ-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](COC)Cc1ccccc1 ZINC001320417599 992199337 /nfs/dbraw/zinc/19/93/37/992199337.db2.gz QNTDDBOCXWKUSU-CABCVRRESA-N 1 0 249.354 2.035 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)CC[NH2+]C(C)C ZINC001568674610 992202053 /nfs/dbraw/zinc/20/20/53/992202053.db2.gz RDRQVXNNEUIKTH-TZMCWYRMSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc(OCC)c1 ZINC001320428397 992203385 /nfs/dbraw/zinc/20/33/85/992203385.db2.gz YWRKWRPZLARCDK-ZDUSSCGKSA-N 1 0 235.327 2.376 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)CC=C ZINC001568683087 992204611 /nfs/dbraw/zinc/20/46/11/992204611.db2.gz SVJTTXOKOCMQJM-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@@H]1C ZINC001568723578 992207486 /nfs/dbraw/zinc/20/74/86/992207486.db2.gz IDAWHSRCXZIKIS-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)/C(C)=C/C ZINC001568832394 992224974 /nfs/dbraw/zinc/22/49/74/992224974.db2.gz LNORYNMMMHLPNJ-ZQNRWWJISA-N 1 0 236.359 2.181 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)CC1CCC1 ZINC001568830392 992225680 /nfs/dbraw/zinc/22/56/80/992225680.db2.gz AIDZLLKHSXQTHE-ONEGZZNKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001261257297 992226723 /nfs/dbraw/zinc/22/67/23/992226723.db2.gz MOOAHHXPPCPQEA-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C=C1CCCCC1 ZINC001568823998 992226820 /nfs/dbraw/zinc/22/68/20/992226820.db2.gz UXSLGUCYRFDCEF-VOTSOKGWSA-N 1 0 248.370 2.325 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccn1C1CC1 ZINC001261255076 992228963 /nfs/dbraw/zinc/22/89/63/992228963.db2.gz LLWGKZJCAXENPD-GFCCVEGCSA-N 1 0 234.343 2.097 20 30 BEEDRO C=CC(C)(C)C(=O)NC/C=C\C[NH2+]CC(C)C ZINC001568898561 992233616 /nfs/dbraw/zinc/23/36/16/992233616.db2.gz OHEBIKXSHKFGMK-FPLPWBNLSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)CC[NH2+]CC ZINC001320542231 992239380 /nfs/dbraw/zinc/23/93/80/992239380.db2.gz DTRMVKYNJPYVMY-AAEUAGOBSA-N 1 0 226.364 2.093 20 30 BEEDRO CC(C)CNN=C1CC[NH+](C(C)(C)C)CC1 ZINC001320548868 992240776 /nfs/dbraw/zinc/24/07/76/992240776.db2.gz XZSCUTBYDQPYRY-UHFFFAOYSA-N 1 0 225.380 2.482 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C1(CCC)CC1 ZINC001568913722 992241714 /nfs/dbraw/zinc/24/17/14/992241714.db2.gz KMMYRHFUHBAAGH-AATRIKPKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(Cl)C[NH2+]C/C=C/CNC(=O)C(C)(C)C ZINC001568954851 992243469 /nfs/dbraw/zinc/24/34/69/992243469.db2.gz ONZRTQSSGDKQHW-AATRIKPKSA-N 1 0 244.766 2.047 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001320553538 992243581 /nfs/dbraw/zinc/24/35/81/992243581.db2.gz UHBCVCSIPXXLQO-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C1CCC=CCC1 ZINC001568966365 992244046 /nfs/dbraw/zinc/24/40/46/992244046.db2.gz UDFQQBBYZXYDCP-BQYQJAHWSA-N 1 0 248.370 2.181 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CCC ZINC001568977968 992250166 /nfs/dbraw/zinc/25/01/66/992250166.db2.gz TZCARKPHDPLIBA-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001569031935 992273912 /nfs/dbraw/zinc/27/39/12/992273912.db2.gz CUGOMDKOMIYHKS-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C1CCCCC1 ZINC001569043074 992276979 /nfs/dbraw/zinc/27/69/79/992276979.db2.gz WBLGMVWILRKYCV-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@H](C)CCC ZINC001569048412 992284880 /nfs/dbraw/zinc/28/48/80/992284880.db2.gz SKNUMPCOQISVKJ-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](C)CCC ZINC001569049682 992285535 /nfs/dbraw/zinc/28/55/35/992285535.db2.gz JIZIKTVZEQXNKQ-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001569073879 992295110 /nfs/dbraw/zinc/29/51/10/992295110.db2.gz LAHMWZBPZPKBHQ-MROQNXINSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001569078911 992297106 /nfs/dbraw/zinc/29/71/06/992297106.db2.gz HEHCQHXXFNGBII-JSGCOSHPSA-N 1 0 240.391 2.483 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001320661384 992301399 /nfs/dbraw/zinc/30/13/99/992301399.db2.gz VDXKGLJHQNLKAL-FUNVUKJBSA-N 1 0 236.359 2.019 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)C[NH2+]CC(C)C)C1 ZINC001569080079 992301745 /nfs/dbraw/zinc/30/17/45/992301745.db2.gz ZACZZWQCPHBNRS-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)CC1CCCC1 ZINC001320672916 992307773 /nfs/dbraw/zinc/30/77/73/992307773.db2.gz SMDPYPMRYKCQCD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)CC ZINC001569105530 992312198 /nfs/dbraw/zinc/31/21/98/992312198.db2.gz SUNTUXJUUJBVSE-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCc2cccc(C)n2)C1 ZINC001261456645 992314028 /nfs/dbraw/zinc/31/40/28/992314028.db2.gz GQIQPUCOSCGTEE-OAHLLOKOSA-N 1 0 246.354 2.209 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)/C(C)=C\CC ZINC001569107239 992318272 /nfs/dbraw/zinc/31/82/72/992318272.db2.gz ODEHCDCBBCWKDA-FSBNRTBOSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@H](C)CCC ZINC001569188840 992340951 /nfs/dbraw/zinc/34/09/51/992340951.db2.gz NEPGROQASIKWMF-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CC2(C)CCC2)C1 ZINC001320870130 992383544 /nfs/dbraw/zinc/38/35/44/992383544.db2.gz WZPRRPMFHBUOAH-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CCC)C1 ZINC001569482154 992394447 /nfs/dbraw/zinc/39/44/47/992394447.db2.gz SRKXMEZAGNOIEV-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1 ZINC001569530369 992405094 /nfs/dbraw/zinc/40/50/94/992405094.db2.gz CEWAOIFSMNWZAA-AWEZNQCLSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001320932827 992405736 /nfs/dbraw/zinc/40/57/36/992405736.db2.gz ITLFCXUYXXDXQD-QWHCGFSZSA-N 1 0 224.348 2.021 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1 ZINC001320953962 992416091 /nfs/dbraw/zinc/41/60/91/992416091.db2.gz TUZZYRCRKHQYLW-CYBMUJFWSA-N 1 0 241.281 2.334 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)CCCC)C1 ZINC001569659155 992417998 /nfs/dbraw/zinc/41/79/98/992417998.db2.gz UOXJJGKQHSBKOJ-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCCCN1C(C)=O ZINC001570078882 992437940 /nfs/dbraw/zinc/43/79/40/992437940.db2.gz DVTPHTHIONFDOD-GXTWGEPZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@@H+](C)CCCN(C)C(=O)CC1CC1 ZINC001570189331 992445507 /nfs/dbraw/zinc/44/55/07/992445507.db2.gz SMFJUZJVAUMEFA-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)CC1CCC1 ZINC001570193154 992446107 /nfs/dbraw/zinc/44/61/07/992446107.db2.gz AHMKPQVDWNOWPU-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCO[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC001321080515 992451482 /nfs/dbraw/zinc/45/14/82/992451482.db2.gz YSFWTGCAXXLRJW-LBPRGKRZSA-N 1 0 218.300 2.171 20 30 BEEDRO C=CC[C@H]1N(C(=O)CC[NH2+]C)CCCC1(C)C ZINC001573310807 992474493 /nfs/dbraw/zinc/47/44/93/992474493.db2.gz OWCQHNCZGPPKOJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001321181722 992476717 /nfs/dbraw/zinc/47/67/17/992476717.db2.gz NSEYDRAVLBFWPE-RFQIPJPRSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)C[C@H]1CCCN1C(C)=O ZINC001570522139 992477266 /nfs/dbraw/zinc/47/72/66/992477266.db2.gz QEPTYDIHSXNNCA-TZMCWYRMSA-N 1 0 238.375 2.284 20 30 BEEDRO C#CCC[NH2+]C/C=C\CNC(=O)CC(C)=C(C)C ZINC001321191171 992479872 /nfs/dbraw/zinc/47/98/72/992479872.db2.gz ZIYADDRIXMYERV-FPLPWBNLSA-N 1 0 248.370 2.018 20 30 BEEDRO C#CC[N@@H+](CCOCC(C)C)CC1CC1 ZINC001321201080 992486961 /nfs/dbraw/zinc/48/69/61/992486961.db2.gz NLHFQHQYIRSYTJ-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC001570636893 992492142 /nfs/dbraw/zinc/49/21/42/992492142.db2.gz OSUIQGFHNQFJPE-VXGBXAGGSA-N 1 0 240.391 2.480 20 30 BEEDRO C=C/C(C)=C\CC(=O)N[C@H](C)[C@H](C)[NH2+]CC#CC ZINC001570626754 992492377 /nfs/dbraw/zinc/49/23/77/992492377.db2.gz HAGSIPRDPKYNON-JKOFNFNQSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC1(C)CC1 ZINC001570640788 992492616 /nfs/dbraw/zinc/49/26/16/992492616.db2.gz GESNMWGZWIOPRQ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](CCN(C)C(=O)CC)C(C)C ZINC001570770713 992518736 /nfs/dbraw/zinc/51/87/36/992518736.db2.gz LTISRWBEBBOFOE-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1C[N@@H+](CC)CC1(C)C ZINC001570902828 992528844 /nfs/dbraw/zinc/52/88/44/992528844.db2.gz ZKNZSDOAFJRRIM-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1C[N@@H+](CC)CC1(C)C ZINC001570902827 992529430 /nfs/dbraw/zinc/52/94/30/992529430.db2.gz ZKNZSDOAFJRRIM-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)CCCC)CC1 ZINC001571328386 992537418 /nfs/dbraw/zinc/53/74/18/992537418.db2.gz RVZAJWNVGQLWJO-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CCC(C)C ZINC001571376145 992542208 /nfs/dbraw/zinc/54/22/08/992542208.db2.gz LLYMPQJRERMPOH-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)/C=C(/C)CC ZINC001571385073 992547871 /nfs/dbraw/zinc/54/78/71/992547871.db2.gz BADAMADYQANKLN-KXXVWKPMSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)CC ZINC001571383715 992547924 /nfs/dbraw/zinc/54/79/24/992547924.db2.gz ABYPOVRUGREUKR-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)/C=C(\C)CC ZINC001571385076 992548242 /nfs/dbraw/zinc/54/82/42/992548242.db2.gz BADAMADYQANKLN-XSNHNAGMSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)/C=C(/C)CC ZINC001571385075 992548488 /nfs/dbraw/zinc/54/84/88/992548488.db2.gz BADAMADYQANKLN-UKVQZPPCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001571401292 992550799 /nfs/dbraw/zinc/55/07/99/992550799.db2.gz AEUDGNCGNHIUBJ-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]CC ZINC001571401291 992551358 /nfs/dbraw/zinc/55/13/58/992551358.db2.gz AEUDGNCGNHIUBJ-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(C)C)C1 ZINC001571470196 992563865 /nfs/dbraw/zinc/56/38/65/992563865.db2.gz APPHWFAKCDBSNM-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C/C=C(/C)C=C)[C@@H]1C ZINC001571460432 992564997 /nfs/dbraw/zinc/56/49/97/992564997.db2.gz VPNQDSXWNUJFKB-PISUUVGWSA-N 1 0 248.370 2.274 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](COC)C(C)C ZINC001262275803 992831231 /nfs/dbraw/zinc/83/12/31/992831231.db2.gz MDJJGXRHZIDXBX-GFCCVEGCSA-N 1 0 211.349 2.249 20 30 BEEDRO N#CC1(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC001262335464 992842927 /nfs/dbraw/zinc/84/29/27/992842927.db2.gz CECVEXIXMDPISB-ZIAGYGMSSA-N 1 0 248.370 2.429 20 30 BEEDRO C#CCC1([NH2+]CC2(OC)CCC2)CCC1 ZINC001262368151 992863749 /nfs/dbraw/zinc/86/37/49/992863749.db2.gz QTTKJWFPHMUKAI-UHFFFAOYSA-N 1 0 207.317 2.091 20 30 BEEDRO C#Cc1ccc(NC(=O)C[NH2+]C2CC2)c(Cl)c1 ZINC001574757679 992898401 /nfs/dbraw/zinc/89/84/01/992898401.db2.gz YACIKHMCSFLPBI-UHFFFAOYSA-N 1 0 248.713 2.012 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001262566444 992919524 /nfs/dbraw/zinc/91/95/24/992919524.db2.gz PYIFYTFKSOZCFO-UFBFGSQYSA-N 1 0 241.693 2.124 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001262566138 992920760 /nfs/dbraw/zinc/92/07/60/992920760.db2.gz HYHVLPUBDMHOID-MFKMUULPSA-N 1 0 239.746 2.408 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001262566442 992920804 /nfs/dbraw/zinc/92/08/04/992920804.db2.gz PYIFYTFKSOZCFO-PRHODGIISA-N 1 0 241.693 2.124 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001262566509 992921777 /nfs/dbraw/zinc/92/17/77/992921777.db2.gz RTAHNVWHIMSGAU-WCQYABFASA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001262566139 992921798 /nfs/dbraw/zinc/92/17/98/992921798.db2.gz HYHVLPUBDMHOID-ZWNOBZJWSA-N 1 0 239.746 2.408 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)CCCC ZINC001574849492 992923357 /nfs/dbraw/zinc/92/33/57/992923357.db2.gz NQSOANOQRFJONR-QWRGUYRKSA-N 1 0 246.782 2.493 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CC1CCC1 ZINC001574848649 992924126 /nfs/dbraw/zinc/92/41/26/992924126.db2.gz CSLMWLKUESBFOM-LLVKDONJSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(CC)C(=O)N1C[C@H](C[NH3+])Cc2ccccc21 ZINC001574849198 992925493 /nfs/dbraw/zinc/92/54/93/992925493.db2.gz KRPGGYRNGNTEBP-LBPRGKRZSA-N 1 0 244.338 2.117 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H](C[NH3+])CCCC ZINC001574848959 992925657 /nfs/dbraw/zinc/92/56/57/992925657.db2.gz HAKGUUBEKQMQRB-GFCCVEGCSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC001574859059 992927341 /nfs/dbraw/zinc/92/73/41/992927341.db2.gz GFGGSIMZYAHNIE-RFQIPJPRSA-N 1 0 248.370 2.214 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CC(C)(C)C ZINC001574851518 992927958 /nfs/dbraw/zinc/92/79/58/992927958.db2.gz GZMWWYKRFDECDP-UWVGGRQHSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C1CCC(C(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC001574860193 992929450 /nfs/dbraw/zinc/92/94/50/992929450.db2.gz VMIANMKDFXBUTQ-ZDUSSCGKSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H]1CC(F)(F)CN1 ZINC001574872127 992932349 /nfs/dbraw/zinc/93/23/49/992932349.db2.gz GZKDMSRKOJJXPG-SNVBAGLBSA-N 1 0 232.318 2.176 20 30 BEEDRO C=CC[C@]1(C(=O)NC[C@H]2CC=CCC2)CCC[NH2+]1 ZINC001574892881 992939103 /nfs/dbraw/zinc/93/91/03/992939103.db2.gz LAQPDPUUAUPUCY-DZGCQCFKSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CC1(C=C)C[NH2+]C1 ZINC001574901541 992942077 /nfs/dbraw/zinc/94/20/77/992942077.db2.gz LLUGAYSGYDIVGL-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCN(C(=O)CC1(C[NH3+])CC1)c1ccccc1 ZINC001574921101 992944456 /nfs/dbraw/zinc/94/44/56/992944456.db2.gz SWDBLQTUGAHLQS-UHFFFAOYSA-N 1 0 244.338 2.335 20 30 BEEDRO C=CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C(C)C ZINC001574920516 992946383 /nfs/dbraw/zinc/94/63/83/992946383.db2.gz AOUABVBPAXHUCR-LBPRGKRZSA-N 1 0 226.364 2.173 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(N)cc1 ZINC001574950934 992950003 /nfs/dbraw/zinc/95/00/03/992950003.db2.gz RGXJYHTYWQYDRR-UHFFFAOYSA-N 1 0 222.357 2.278 20 30 BEEDRO CC#CC[C@H]([NH3+])C(=O)Nc1cccc(C(C)C)c1 ZINC001574969787 992954568 /nfs/dbraw/zinc/95/45/68/992954568.db2.gz MOMTYWVCHFIJLR-AWEZNQCLSA-N 1 0 244.338 2.489 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1CCC ZINC001262646963 992996983 /nfs/dbraw/zinc/99/69/83/992996983.db2.gz RFTKRAYRMCLADU-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H]1CCCN1c1cc(C)[nH+]c(N)n1 ZINC001262711905 993052036 /nfs/dbraw/zinc/05/20/36/993052036.db2.gz MRCJJHOXIRUNPX-NSHDSACASA-N 1 0 232.331 2.302 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001263085544 993105964 /nfs/dbraw/zinc/10/59/64/993105964.db2.gz DEGGKKZIKVQNFC-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO C[C@@H](C[C@@H]1CCC[NH2+]1)NCc1ccc(C#N)s1 ZINC001575940923 993133240 /nfs/dbraw/zinc/13/32/40/993133240.db2.gz DVQQQLGVELGRNF-QWRGUYRKSA-N 1 0 249.383 2.240 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H]1CCC ZINC001263269151 993185003 /nfs/dbraw/zinc/18/50/03/993185003.db2.gz MMWSWHFJKUMOHW-STQMWFEESA-N 1 0 238.375 2.461 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001263323166 993230759 /nfs/dbraw/zinc/23/07/59/993230759.db2.gz IIMQCXXIEOIDMZ-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(C)s1 ZINC000379582439 993256292 /nfs/dbraw/zinc/25/62/92/993256292.db2.gz LUYVDIKZRDSNOM-SNVBAGLBSA-N 1 0 211.330 2.347 20 30 BEEDRO C=CCCCC[N@H+]1CCNC[C@H]1C(C)C ZINC000379808751 993277961 /nfs/dbraw/zinc/27/79/61/993277961.db2.gz OWIIOYTULOPHFU-ZDUSSCGKSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C1CC1)C1CC1 ZINC000379918693 993291536 /nfs/dbraw/zinc/29/15/36/993291536.db2.gz FRBLSTVFHXAUAH-LBPRGKRZSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccoc1 ZINC000380142420 993315033 /nfs/dbraw/zinc/31/50/33/993315033.db2.gz VXOVYEDSVQHYQA-PWSUYJOCSA-N 1 0 209.289 2.257 20 30 BEEDRO C[C@@H]1C[C@H](NCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000382033246 993436158 /nfs/dbraw/zinc/43/61/58/993436158.db2.gz FJEQORJUTKQDOC-HIFRSBDPSA-N 1 0 243.354 2.153 20 30 BEEDRO C=C(CC)C(=O)NCC[NH+](C(C)C)C(C)C ZINC001263702292 993467517 /nfs/dbraw/zinc/46/75/17/993467517.db2.gz HZUJJPQZKNVEGE-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000383766722 993518400 /nfs/dbraw/zinc/51/84/00/993518400.db2.gz MNAVZKDCIDUEHX-QWHCGFSZSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(C)=O)C1 ZINC001263887017 993582178 /nfs/dbraw/zinc/58/21/78/993582178.db2.gz GIHOOEPVIYEUAK-KWCYVHTRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)/C(C)=C\C)C1 ZINC001264418058 993724941 /nfs/dbraw/zinc/72/49/41/993724941.db2.gz HJCHFLCGVDZQKT-WNXDEBFPSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)CCC)[C@H]1C ZINC001264687308 993738918 /nfs/dbraw/zinc/73/89/18/993738918.db2.gz PKVVRXVBXGCOHD-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C(C)C)[C@H]1C ZINC001264687276 993740185 /nfs/dbraw/zinc/74/01/85/993740185.db2.gz OBGSOEIEGZESQZ-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)[C@@H](C)CC)C1 ZINC001264769962 993752800 /nfs/dbraw/zinc/75/28/00/993752800.db2.gz FUTNBACQZMZAFN-HIFPTAJRSA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000390760199 993803043 /nfs/dbraw/zinc/80/30/43/993803043.db2.gz LZDINDRDWFAISY-GXSJLCMTSA-N 1 0 231.324 2.402 20 30 BEEDRO CC#CCCCC(=O)NCCC[N@@H+](C)CCC ZINC001265024003 993808596 /nfs/dbraw/zinc/80/85/96/993808596.db2.gz BTOKAYNSMNRJIE-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CC[N@@H+](CC)CCCNC(=O)[C@@H](C)CC ZINC001265099656 993816056 /nfs/dbraw/zinc/81/60/56/993816056.db2.gz IFZNTLPGSTXQHB-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001265276061 993830975 /nfs/dbraw/zinc/83/09/75/993830975.db2.gz YIMBXQHXYHSLNY-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)CCC)C1 ZINC001265451162 993858226 /nfs/dbraw/zinc/85/82/26/993858226.db2.gz FISMPCAYNLGLKR-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](CNC(=O)CCCC)C1 ZINC001265576358 993883480 /nfs/dbraw/zinc/88/34/80/993883480.db2.gz UENSHEWVEUFKBV-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CCCN(C(=O)CC)C1 ZINC001265596844 993885038 /nfs/dbraw/zinc/88/50/38/993885038.db2.gz LKXCHIFYYCABQM-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC(C)C ZINC001265638954 993889170 /nfs/dbraw/zinc/88/91/70/993889170.db2.gz MFLIIUGUWNJXRS-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1CNC(=O)/C(C)=C\C ZINC001265643888 993891145 /nfs/dbraw/zinc/89/11/45/993891145.db2.gz WRWJQOGTKQADBG-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)CCC ZINC000392956486 993891801 /nfs/dbraw/zinc/89/18/01/993891801.db2.gz GPWZLHTZBPWLIE-UHFFFAOYSA-N 1 0 228.380 2.463 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H](OC(C)C)C1 ZINC000701663362 993897376 /nfs/dbraw/zinc/89/73/76/993897376.db2.gz WQRUVHYRRZAHFW-NEPJUHHUSA-N 1 0 210.321 2.178 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000701708212 993904046 /nfs/dbraw/zinc/90/40/46/993904046.db2.gz DWVRXLBCCAPHFK-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO Cc1ccc(C[N@@H+](CCCO)C(C)C)cc1C#N ZINC000701815931 993916496 /nfs/dbraw/zinc/91/64/96/993916496.db2.gz GPRMSEMISMCSOD-UHFFFAOYSA-N 1 0 246.354 2.460 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@@]1(C)C=CCC1 ZINC001265811179 993948525 /nfs/dbraw/zinc/94/85/25/993948525.db2.gz NFABHPKFMLANCI-OCCSQVGLSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]CC1CC1 ZINC001265808976 993948641 /nfs/dbraw/zinc/94/86/41/993948641.db2.gz OTRYSSALFXIKAV-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[C@@H](C)CC ZINC001265843850 993955998 /nfs/dbraw/zinc/95/59/98/993955998.db2.gz ODSWCQCQXGAPGS-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CCC(=O)NCCC[N@@H+](C)CC(=C)C ZINC001265855406 993961667 /nfs/dbraw/zinc/96/16/67/993961667.db2.gz PBFRVURDRWSHBS-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[N@H+](C)CC ZINC001265907874 993972708 /nfs/dbraw/zinc/97/27/08/993972708.db2.gz GPOUUFGHBHKEQK-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)C(C)C 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C[C@@]12CSC[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C2 ZINC001620647623 1170696746 /nfs/dbraw/zinc/69/67/46/1170696746.db2.gz YVEDPAALWLFJSV-FRRDWIJNSA-N 1 0 249.383 2.115 20 30 BEEDRO COC1(OC)CC([NH2+]CC(C)(C)CCC#N)C1 ZINC001621078707 1170711733 /nfs/dbraw/zinc/71/17/33/1170711733.db2.gz ZPHJEHYBGLKJLX-UHFFFAOYSA-N 1 0 240.347 2.057 20 30 BEEDRO CC#CCC[NH2+]Cc1c(OC)cccc1OC ZINC001621215284 1170743860 /nfs/dbraw/zinc/74/38/60/1170743860.db2.gz IEYYCGDWCXSMKO-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C#C[C@H](CO)[NH2+]Cc1ccc(F)c2ccccc12 ZINC001621460928 1170818543 /nfs/dbraw/zinc/81/85/43/1170818543.db2.gz FTEJYHBOEABHKG-GFCCVEGCSA-N 1 0 243.281 2.063 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CCCCC(C)C)C1 ZINC001621521597 1170834892 /nfs/dbraw/zinc/83/48/92/1170834892.db2.gz FDMMPERHESWRRN-HNNXBMFYSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC001621549327 1170840280 /nfs/dbraw/zinc/84/02/80/1170840280.db2.gz NINKOZPFYPTSEV-UHFFFAOYSA-N 1 0 243.310 2.054 20 30 BEEDRO C#Cc1ccc(N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001621558064 1170850061 /nfs/dbraw/zinc/85/00/61/1170850061.db2.gz AWZFVZVSCVEXFH-AWEZNQCLSA-N 1 0 214.312 2.174 20 30 BEEDRO C#CC[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000037184830 1170933993 /nfs/dbraw/zinc/93/39/93/1170933993.db2.gz QKKIDSFLWQMFOS-LBPRGKRZSA-N 1 0 217.312 2.239 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1ccco1 ZINC000038092590 1171019038 /nfs/dbraw/zinc/01/90/38/1171019038.db2.gz GXQUFEPHUWUXMW-WDEREUQCSA-N 1 0 206.289 2.492 20 30 BEEDRO C=C(C)CNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001625647220 1171110709 /nfs/dbraw/zinc/11/07/09/1171110709.db2.gz IBKBPYFCIIBHKT-UHFFFAOYSA-N 1 0 246.354 2.097 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)/C=C(/C)Cl ZINC001626755405 1171135486 /nfs/dbraw/zinc/13/54/86/1171135486.db2.gz YSGNMKKNJKKGQS-KHPPLWFESA-N 1 0 244.766 2.095 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000043323632 1171276913 /nfs/dbraw/zinc/27/69/13/1171276913.db2.gz NHCBKAQPRKGUQK-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCc1c(C)cccc1C ZINC001631249376 1171447815 /nfs/dbraw/zinc/44/78/15/1171447815.db2.gz CZLYMGUGXBZXKJ-UHFFFAOYSA-N 1 0 246.354 2.037 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C1CCCC1 ZINC001634637339 1171669963 /nfs/dbraw/zinc/66/99/63/1171669963.db2.gz ZRKYTPHZXSDBKI-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)CC(C)C ZINC001635165406 1171701406 /nfs/dbraw/zinc/70/14/06/1171701406.db2.gz QOPYSXFXCLAXOO-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000186714681 136207716 /nfs/dbraw/zinc/20/77/16/136207716.db2.gz OBCJOFHQYPFPFK-GXFFZTMASA-N 1 0 223.291 2.413 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000162973462 398136463 /nfs/dbraw/zinc/13/64/63/398136463.db2.gz NKOHFYJYBXXZAX-OCCSQVGLSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000186687775 136207446 /nfs/dbraw/zinc/20/74/46/136207446.db2.gz ZVTLDBIHCXWPRQ-NEPJUHHUSA-N 1 0 235.327 2.288 20 30 BEEDRO CC#CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000172797556 192025397 /nfs/dbraw/zinc/02/53/97/192025397.db2.gz GOOVYJNJJYYRRN-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C#CC[N@@H+](CCCCCO)Cc1ccc(F)cc1 ZINC000263788227 166170295 /nfs/dbraw/zinc/17/02/95/166170295.db2.gz QAQZMYBZCJRZHH-UHFFFAOYSA-N 1 0 249.329 2.424 20 30 BEEDRO CNC(=[NH2+])NCc1cccc(COC(C)(C)C)c1 ZINC000066246575 136210838 /nfs/dbraw/zinc/21/08/38/136210838.db2.gz VKHQRZWIBVJHQV-UHFFFAOYSA-N 1 0 249.358 2.036 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000421374078 192321995 /nfs/dbraw/zinc/32/19/95/192321995.db2.gz AYDRASAXSRRBDG-BETUJISGSA-N 1 0 248.301 2.354 20 30 BEEDRO C#CC[N@@H+](CCOC(C)C)C1CCCC1 ZINC000155815088 398142577 /nfs/dbraw/zinc/14/25/77/398142577.db2.gz RWHJGUDGSIJNMP-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO CC(C)CCOCC[NH2+]Cc1ccc(C#N)o1 ZINC000135166393 398142659 /nfs/dbraw/zinc/14/26/59/398142659.db2.gz BAUDUYFOLHUDFP-UHFFFAOYSA-N 1 0 236.315 2.304 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnccc1C ZINC000235813515 136211332 /nfs/dbraw/zinc/21/13/32/136211332.db2.gz AWPDQVLMPPCQCD-UHFFFAOYSA-N 1 0 222.357 2.399 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC(C)(C)CC1 ZINC000649322538 398144625 /nfs/dbraw/zinc/14/46/25/398144625.db2.gz HVJKBUHOIOHCCA-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000271246434 166170916 /nfs/dbraw/zinc/17/09/16/166170916.db2.gz CNVWWWKQLPHKLU-AWEZNQCLSA-N 1 0 233.286 2.050 20 30 BEEDRO CCC(CC)(CO)C[NH2+]Cc1ccc(C#N)o1 ZINC000229208739 168328878 /nfs/dbraw/zinc/32/88/78/168328878.db2.gz WDJUIOSIPUUFQI-UHFFFAOYSA-N 1 0 236.315 2.040 20 30 BEEDRO CCC(CC)(CO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000161504605 168328955 /nfs/dbraw/zinc/32/89/55/168328955.db2.gz OFVGZSFQVIKACH-UHFFFAOYSA-N 1 0 246.354 2.447 20 30 BEEDRO C#CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272497465 398147418 /nfs/dbraw/zinc/14/74/18/398147418.db2.gz CZNKKQNYWQVSOM-ZDUSSCGKSA-N 1 0 215.296 2.021 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000453420778 398159117 /nfs/dbraw/zinc/15/91/17/398159117.db2.gz DLGMUPZJWBIPHO-YNEHKIRRSA-N 1 0 236.359 2.084 20 30 BEEDRO Cc1cc(C[NH2+]C2(CO)CCCC2)ccc1C#N ZINC000331117857 178018650 /nfs/dbraw/zinc/01/86/50/178018650.db2.gz OFMPFTPQVHCTMP-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO Cc1cc(C[NH2+]C2CCN(C)CC2)ccc1C#N ZINC000336540452 178019163 /nfs/dbraw/zinc/01/91/63/178019163.db2.gz COETVSUOHSMLJP-UHFFFAOYSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](CO)C(C)C)ccc1C#N ZINC000342197014 178024350 /nfs/dbraw/zinc/02/43/50/178024350.db2.gz BEIVOLCRKWGHGK-OAHLLOKOSA-N 1 0 246.354 2.221 20 30 BEEDRO Cc1cc(C[NH2+][C@]2(C)CCOC2)ccc1C#N ZINC000336540888 178041833 /nfs/dbraw/zinc/04/18/33/178041833.db2.gz VFKQKEBSVJRIKT-CQSZACIVSA-N 1 0 230.311 2.135 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000424290084 398179185 /nfs/dbraw/zinc/17/91/85/398179185.db2.gz BCFLODGPCASMRX-NWBUJAPZSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649905381 398179663 /nfs/dbraw/zinc/17/96/63/398179663.db2.gz ZAGIOPAQMSXHFS-WDEREUQCSA-N 1 0 231.286 2.045 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]1CC ZINC000424290702 398180134 /nfs/dbraw/zinc/18/01/34/398180134.db2.gz BWLKNGMYBRTEFM-XQHKEYJVSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCCCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000649371451 398182330 /nfs/dbraw/zinc/18/23/30/398182330.db2.gz GXOFRAGARZAOPT-UHFFFAOYSA-N 1 0 232.327 2.118 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])N(C)C)Oc1ccccc1C ZINC000178562090 136217477 /nfs/dbraw/zinc/21/74/77/136217477.db2.gz VWYCGMDOFXVREA-LBPRGKRZSA-N 1 0 249.358 2.029 20 30 BEEDRO CC(C)c1ccccc1OCCNC(=[NH2+])N(C)C ZINC000178575687 136217549 /nfs/dbraw/zinc/21/75/49/136217549.db2.gz DBVZXNDSQCNFIY-UHFFFAOYSA-N 1 0 249.358 2.065 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000649349090 398162941 /nfs/dbraw/zinc/16/29/41/398162941.db2.gz ASMBRYSUBDQQSK-CYBMUJFWSA-N 1 0 209.333 2.455 20 30 BEEDRO C[C@H](CNc1cccc(F)c1C#N)[NH+](C)C ZINC000087031369 398200149 /nfs/dbraw/zinc/20/01/49/398200149.db2.gz XOPGBFKHKFKVFP-SECBINFHSA-N 1 0 221.279 2.059 20 30 BEEDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000181057651 136218396 /nfs/dbraw/zinc/21/83/96/136218396.db2.gz PMNLHHFMQMCEQO-CYBMUJFWSA-N 1 0 217.316 2.466 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000181046047 136218470 /nfs/dbraw/zinc/21/84/70/136218470.db2.gz OOBZEQQGSBUVSX-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO Cc1ccc(C[N@H+](CCO)CCCC#N)cc1 ZINC000181976378 136218919 /nfs/dbraw/zinc/21/89/19/136218919.db2.gz SEOJFPSGNCPKHP-UHFFFAOYSA-N 1 0 232.327 2.093 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(O)c2)C1 ZINC000309520814 136218951 /nfs/dbraw/zinc/21/89/51/136218951.db2.gz UBVPRPSITLSRKT-JQWIXIFHSA-N 1 0 216.284 2.174 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NC2CC2)ccc1Cl ZINC000182191641 136219031 /nfs/dbraw/zinc/21/90/31/136219031.db2.gz KRCFEZJXZMKTPB-UHFFFAOYSA-N 1 0 237.734 2.215 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCC1CCCCC1 ZINC000336739245 136219165 /nfs/dbraw/zinc/21/91/65/136219165.db2.gz SGKRBNCWWJULNE-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO CC1(C)C[C@H](C[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000453582040 398203341 /nfs/dbraw/zinc/20/33/41/398203341.db2.gz NALAIYALJTYAEW-LLVKDONJSA-N 1 0 248.326 2.446 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000649976792 398204192 /nfs/dbraw/zinc/20/41/92/398204192.db2.gz RALQHKOMMBQUDM-REWJHTLYSA-N 1 0 233.355 2.336 20 30 BEEDRO CC#CCCCC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000185426006 136220029 /nfs/dbraw/zinc/22/00/29/136220029.db2.gz KOVZRTOCLGQYGU-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000336751033 136220063 /nfs/dbraw/zinc/22/00/63/136220063.db2.gz GFWMSKSAYBJSSQ-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1ccc(CC)cc1 ZINC000309920789 136220101 /nfs/dbraw/zinc/22/01/01/136220101.db2.gz RWWMPNUFPSKHDT-CQSZACIVSA-N 1 0 219.328 2.448 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1ccc(CC)cc1 ZINC000309920787 136220128 /nfs/dbraw/zinc/22/01/28/136220128.db2.gz RWWMPNUFPSKHDT-AWEZNQCLSA-N 1 0 219.328 2.448 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000650000998 398213445 /nfs/dbraw/zinc/21/34/45/398213445.db2.gz OLERWUZLSNPJPX-RWMBFGLXSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC[N@@H+](CCO)C1CCC(CC)CC1 ZINC000093512261 398219830 /nfs/dbraw/zinc/21/98/30/398219830.db2.gz JCRVBRUQLRZHFL-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000119664527 136220789 /nfs/dbraw/zinc/22/07/89/136220789.db2.gz YRZQNTCRQADPQE-HNNXBMFYSA-N 1 0 223.341 2.090 20 30 BEEDRO Cc1cc(NCC2([NH+](C)C)CCC2)cc(C#N)n1 ZINC000308270239 178156660 /nfs/dbraw/zinc/15/66/60/178156660.db2.gz VFBSTCXHSWXAGY-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336773944 136221439 /nfs/dbraw/zinc/22/14/39/136221439.db2.gz ZCCPEUQFSYHVRJ-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000421387746 192326706 /nfs/dbraw/zinc/32/67/06/192326706.db2.gz PMOFMUUFEORJLI-QWRGUYRKSA-N 1 0 234.299 2.198 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1oc(C)nc1C ZINC000650079589 398232513 /nfs/dbraw/zinc/23/25/13/398232513.db2.gz BTRYIJFYJAVHFC-NEPJUHHUSA-N 1 0 236.315 2.115 20 30 BEEDRO C[C@H]1C[C@@H](CO)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000421361688 192332926 /nfs/dbraw/zinc/33/29/26/192332926.db2.gz LKXQUTAFDHUDHP-QWHCGFSZSA-N 1 0 238.375 2.267 20 30 BEEDRO CC[N@H+](CCC#N)C[C@@](C)(OC)C1CC1 ZINC000602437193 349523228 /nfs/dbraw/zinc/52/32/28/349523228.db2.gz FFDJHGIVVURNGK-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)nn1C ZINC000296355535 178232871 /nfs/dbraw/zinc/23/28/71/178232871.db2.gz IMKNONGEAMLGMH-AGIUHOORSA-N 1 0 246.358 2.462 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCC(C)C ZINC000155135382 323000777 /nfs/dbraw/zinc/00/07/77/323000777.db2.gz FBFPHYXKJRMIBI-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@H](C)[N@H+]1C ZINC000135265126 398234680 /nfs/dbraw/zinc/23/46/80/398234680.db2.gz IXSOAMFLNRNCLO-PHIMTYICSA-N 1 0 247.317 2.226 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCCCO1)C1CCCC1 ZINC000155725009 323002094 /nfs/dbraw/zinc/00/20/94/323002094.db2.gz PEJQVQRVIMOUCP-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)OC)c1 ZINC000191151078 136227637 /nfs/dbraw/zinc/22/76/37/136227637.db2.gz OOLMTAXRSUCLTR-GFCCVEGCSA-N 1 0 235.327 2.376 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000335754281 398238760 /nfs/dbraw/zinc/23/87/60/398238760.db2.gz XERKEMJCVOZRKN-SMDDNHRTSA-N 1 0 230.311 2.340 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)c(F)c1 ZINC000576523865 365618003 /nfs/dbraw/zinc/61/80/03/365618003.db2.gz KQJCWEYZXIKRLH-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)n1)C1CCCC1 ZINC000602429606 349534061 /nfs/dbraw/zinc/53/40/61/349534061.db2.gz HTTYLJYLSVUGLE-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CCO)Cc1ccccc1 ZINC000602429266 349534103 /nfs/dbraw/zinc/53/41/03/349534103.db2.gz OFYDYKUJWFXNKJ-CQSZACIVSA-N 1 0 246.354 2.421 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cccc(F)c1 ZINC000293348076 136229654 /nfs/dbraw/zinc/22/96/54/136229654.db2.gz DNLUKLGKSWDSFE-UHFFFAOYSA-N 1 0 223.291 2.460 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000602466071 349538533 /nfs/dbraw/zinc/53/85/33/349538533.db2.gz WCGJZPRAZUZAED-JSGCOSHPSA-N 1 0 235.375 2.095 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295966764 136230583 /nfs/dbraw/zinc/23/05/83/136230583.db2.gz NDLFGBHGKSSKOD-CQSZACIVSA-N 1 0 214.312 2.284 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCSC[C@@H]1C ZINC000602467651 349539873 /nfs/dbraw/zinc/53/98/73/349539873.db2.gz HTXJRFHGQCXCLH-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000602469924 349540863 /nfs/dbraw/zinc/54/08/63/349540863.db2.gz AVPYCQQNDHHYLP-CABCVRRESA-N 1 0 249.402 2.344 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)ccc1OC ZINC000309217721 259311684 /nfs/dbraw/zinc/31/16/84/259311684.db2.gz FWSLWKATAZKWLD-GFCCVEGCSA-N 1 0 221.275 2.336 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CC1(O)CCCC1 ZINC000602473876 349541060 /nfs/dbraw/zinc/54/10/60/349541060.db2.gz MCSUWJGVLYNYMU-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@](C)(CC)OC ZINC000602447743 349548648 /nfs/dbraw/zinc/54/86/48/349548648.db2.gz OZVYGAODKNPINZ-VXGBXAGGSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](C)CCC#N ZINC000602448491 349549861 /nfs/dbraw/zinc/54/98/61/349549861.db2.gz VHQNCBXEYIIPQC-RYUDHWBXSA-N 1 0 207.321 2.408 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCCO1 ZINC000602449663 349550470 /nfs/dbraw/zinc/55/04/70/349550470.db2.gz QJDVEKOIWMRMQK-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1C[C@H](C)CCC#N ZINC000602449368 349550783 /nfs/dbraw/zinc/55/07/83/349550783.db2.gz ZPZGOIHVTYNUPU-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ccc(C#N)c(NCC2CC[NH+](C)CC2)n1 ZINC000044526212 178363212 /nfs/dbraw/zinc/36/32/12/178363212.db2.gz YASNSNXWKWPOGG-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO Cc1ncc([C@@H](C)N(C)[C@H](C)CC#N)c(C)n1 ZINC000602461512 349555687 /nfs/dbraw/zinc/55/56/87/349555687.db2.gz GSBPOQOMITZLDT-MWLCHTKSSA-N 1 0 232.331 2.388 20 30 BEEDRO CC[C@](C)(C[N@H+](CCC#N)CC1CC1)OC ZINC000602463082 349557818 /nfs/dbraw/zinc/55/78/18/349557818.db2.gz QXRVHDHYPKDIHJ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@H]2CCCC[N@H+]2C)n1 ZINC000044563228 178364203 /nfs/dbraw/zinc/36/42/03/178364203.db2.gz CZJQHONCAOFTLH-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1ccc(C#N)c(NCC[N@@H+](C)C(C)C)n1 ZINC000054128226 178364725 /nfs/dbraw/zinc/36/47/25/178364725.db2.gz UQYSJBCWWSWTQX-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CCC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602472118 349542797 /nfs/dbraw/zinc/54/27/97/349542797.db2.gz GUWFMPQFTHQUNG-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000270863135 178365547 /nfs/dbraw/zinc/36/55/47/178365547.db2.gz AAIQGCOHVHCLKX-ZDUSSCGKSA-N 1 0 244.342 2.156 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000602443559 349545478 /nfs/dbraw/zinc/54/54/78/349545478.db2.gz FPKNUXRQVUGSMJ-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](CCC#N)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602478376 349564482 /nfs/dbraw/zinc/56/44/82/349564482.db2.gz XOJFLTBWVOHNKP-MCIONIFRSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CCOCC1CC1 ZINC000602482789 349566292 /nfs/dbraw/zinc/56/62/92/349566292.db2.gz QLZGEBSMLKBZBD-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CCC[C@H](CN(C[C@H](C)C#N)C1CC1)OC ZINC000602485734 349567043 /nfs/dbraw/zinc/56/70/43/349567043.db2.gz RERMROCNBGYRMI-DGCLKSJQSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000649468473 398269281 /nfs/dbraw/zinc/26/92/81/398269281.db2.gz CQCHLXZFYUZTHC-OLZOCXBDSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1nccs1 ZINC000602523031 349575842 /nfs/dbraw/zinc/57/58/42/349575842.db2.gz XSDDFVQGZCMTSF-SECBINFHSA-N 1 0 209.318 2.173 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602524878 349576721 /nfs/dbraw/zinc/57/67/21/349576721.db2.gz GTGQZNYKLWCOMY-KGLIPLIRSA-N 1 0 237.391 2.248 20 30 BEEDRO N#CC1CCC([NH2+]Cc2nccs2)CC1 ZINC000602523158 349576814 /nfs/dbraw/zinc/57/68/14/349576814.db2.gz YYMYJVXFNMWVPD-UHFFFAOYSA-N 1 0 221.329 2.315 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccoc2)CC1 ZINC000602526498 349577529 /nfs/dbraw/zinc/57/75/29/349577529.db2.gz KQEAGRFNPVQJIZ-UHFFFAOYSA-N 1 0 204.273 2.452 20 30 BEEDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C[C@H](C)CCC#N ZINC000602547560 349590390 /nfs/dbraw/zinc/59/03/90/349590390.db2.gz ZGCFAEPMDKZYNX-AGIUHOORSA-N 1 0 226.364 2.313 20 30 BEEDRO CO[C@H](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602529552 349579102 /nfs/dbraw/zinc/57/91/02/349579102.db2.gz PZRMOWYPBZNTCM-VOMCLLRMSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc2c(c1)OCO2 ZINC000602506433 349582564 /nfs/dbraw/zinc/58/25/64/349582564.db2.gz VNKBLHJUNLDTNW-NSHDSACASA-N 1 0 246.310 2.445 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602506560 349582718 /nfs/dbraw/zinc/58/27/18/349582718.db2.gz DIUQECGNYHKALQ-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO CC[C@@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602506420 349582797 /nfs/dbraw/zinc/58/27/97/349582797.db2.gz UYBNOSSOIHMNDC-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@H]1C[C@@H]1C ZINC000602513856 349586214 /nfs/dbraw/zinc/58/62/14/349586214.db2.gz FJYVCFODCBXZRL-YNEHKIRRSA-N 1 0 236.359 2.331 20 30 BEEDRO CO[C@H](C[NH2+]CCCCC#N)CC(C)C ZINC000602542547 349586960 /nfs/dbraw/zinc/58/69/60/349586960.db2.gz ZRLYDJVXGORDQD-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC[C@H](C)C1 ZINC000602514575 349587005 /nfs/dbraw/zinc/58/70/05/349587005.db2.gz LCCNYGGNDXNJQV-KBPBESRZSA-N 1 0 237.391 2.248 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1CCSCC1 ZINC000602545063 349588821 /nfs/dbraw/zinc/58/88/21/349588821.db2.gz RUQVRHNDDZVWML-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCSCC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000602544044 349588937 /nfs/dbraw/zinc/58/89/37/349588937.db2.gz HUYCKJVYWWBPCA-GFCCVEGCSA-N 1 0 229.389 2.310 20 30 BEEDRO N#CC1CCC([NH2+][C@H](CO)c2ccccc2)CC1 ZINC000602545638 349589772 /nfs/dbraw/zinc/58/97/72/349589772.db2.gz HQJLCIZUMGNGRG-PESDSKBTSA-N 1 0 244.338 2.392 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC000602519824 349573825 /nfs/dbraw/zinc/57/38/25/349573825.db2.gz BKFDZLKKTVFQQG-BYCMXARLSA-N 1 0 244.338 2.174 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc2c1OCO2 ZINC000602519330 349574175 /nfs/dbraw/zinc/57/41/75/349574175.db2.gz YGDJVKVOWUGSEJ-LLVKDONJSA-N 1 0 246.310 2.445 20 30 BEEDRO N#CC1CCC([NH2+]CCCCn2ccnc2)CC1 ZINC000602519317 349574209 /nfs/dbraw/zinc/57/42/09/349574209.db2.gz XSDCVTVJWWWEMX-UHFFFAOYSA-N 1 0 246.358 2.335 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCC(=O)OC(C)(C)C ZINC000602560318 349599718 /nfs/dbraw/zinc/59/97/18/349599718.db2.gz RWARQSNFOHVHGB-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO CO[C@H](C[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602560004 349599914 /nfs/dbraw/zinc/59/99/14/349599914.db2.gz HBZWHUZJDBXLED-NWDGAFQWSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1nccs1 ZINC000602533108 349601487 /nfs/dbraw/zinc/60/14/87/349601487.db2.gz NYUJEURPYJPGHW-SNVBAGLBSA-N 1 0 223.345 2.215 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCC1CC1 ZINC000602562920 349601595 /nfs/dbraw/zinc/60/15/95/349601595.db2.gz KHOQUEQAEDOJCZ-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](O)C1CCCCC1 ZINC000602534279 349602362 /nfs/dbraw/zinc/60/23/62/349602362.db2.gz RWMVYBXYWAOVDI-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC(CC)(CO)[NH2+]C[C@@H](C)CCC#N ZINC000602548366 349590836 /nfs/dbraw/zinc/59/08/36/349590836.db2.gz XFYKIVWCSLDFES-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000602549928 349591948 /nfs/dbraw/zinc/59/19/48/349591948.db2.gz FTBZSRZBCPOLLZ-SNVBAGLBSA-N 1 0 236.315 2.246 20 30 BEEDRO CC(C)n1ccc(C[NH2+]C[C@H](C)CCC#N)n1 ZINC000602551374 349593012 /nfs/dbraw/zinc/59/30/12/349593012.db2.gz JBDYTFIHXFTLAP-GFCCVEGCSA-N 1 0 234.347 2.493 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1C#N ZINC000335291456 344000130 /nfs/dbraw/zinc/00/01/30/344000130.db2.gz DBWAYSYIDQHNSM-ZDUSSCGKSA-N 1 0 229.327 2.129 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602551630 349593518 /nfs/dbraw/zinc/59/35/18/349593518.db2.gz QTHLXSZZWNZOQX-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602551632 349594104 /nfs/dbraw/zinc/59/41/04/349594104.db2.gz QTHLXSZZWNZOQX-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC[C@H](CCO)C[NH2+]C[C@@H](C)CCC#N ZINC000602556983 349597781 /nfs/dbraw/zinc/59/77/81/349597781.db2.gz HXMDGPFAPDCCTP-QWHCGFSZSA-N 1 0 226.364 2.315 20 30 BEEDRO COc1cc(C[NH2+]C[C@@H](C)CCC#N)ccn1 ZINC000602540447 349605622 /nfs/dbraw/zinc/60/56/22/349605622.db2.gz QNUNZVWOGLOVBM-NSHDSACASA-N 1 0 233.315 2.120 20 30 BEEDRO N#CCN1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000602540460 349605689 /nfs/dbraw/zinc/60/56/89/349605689.db2.gz YRQGDFIMKMLBFM-MCIONIFRSA-N 1 0 247.386 2.000 20 30 BEEDRO C[C@H]1CCN(CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602594314 349611695 /nfs/dbraw/zinc/61/16/95/349611695.db2.gz RYNYFOLADWMOEY-HSBZDZAISA-N 1 0 235.375 2.000 20 30 BEEDRO COc1cc(C[C@@H](C)[NH2+]CCCCC#N)ccn1 ZINC000602541183 349606190 /nfs/dbraw/zinc/60/61/90/349606190.db2.gz NMTZIAMHEJEIDL-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(F)cn1 ZINC000602578144 349606784 /nfs/dbraw/zinc/60/67/84/349606784.db2.gz VRPYAIPAPHNORS-SNVBAGLBSA-N 1 0 221.279 2.250 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)CCCO ZINC000602581535 349609116 /nfs/dbraw/zinc/60/91/16/349609116.db2.gz JXACIJKLUJIELA-LBPRGKRZSA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ncccc1F ZINC000602581788 349609286 /nfs/dbraw/zinc/60/92/86/349609286.db2.gz KYCIWOLHZQIFQL-SNVBAGLBSA-N 1 0 221.279 2.250 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602582279 349609992 /nfs/dbraw/zinc/60/99/92/349609992.db2.gz QNDUWOSJJMOEOC-NELGMTEASA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)C[C@]1(C)CCCS1 ZINC000600112934 342671280 /nfs/dbraw/zinc/67/12/80/342671280.db2.gz OQFMXOURXXERBV-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO Cc1cc([C@H]2CCCN2CCCC#N)no1 ZINC000044590922 342690743 /nfs/dbraw/zinc/69/07/43/342690743.db2.gz BYAFZWXQNVNTHG-GFCCVEGCSA-N 1 0 219.288 2.424 20 30 BEEDRO CC[C@H](CC#N)NCc1cnc(C2CC2)o1 ZINC000600150872 342691351 /nfs/dbraw/zinc/69/13/51/342691351.db2.gz IDRXWNZGXNLULZ-SNVBAGLBSA-N 1 0 219.288 2.334 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc2n[nH]cc21 ZINC000600153256 342691928 /nfs/dbraw/zinc/69/19/28/342691928.db2.gz XHDOTBHTQLOSFV-NSHDSACASA-N 1 0 228.299 2.345 20 30 BEEDRO Cc1ncc(C[NH2+]CC2CCC(C#N)CC2)o1 ZINC000600159727 342693380 /nfs/dbraw/zinc/69/33/80/342693380.db2.gz XBDDNOPLMBRQPP-UHFFFAOYSA-N 1 0 233.315 2.403 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)[nH]2)C1 ZINC000600183767 342697804 /nfs/dbraw/zinc/69/78/04/342697804.db2.gz FEZATCGHYZKBOV-LLVKDONJSA-N 1 0 248.326 2.199 20 30 BEEDRO C=C(C)CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418499206 192042270 /nfs/dbraw/zinc/04/22/70/192042270.db2.gz XZJFYPKRADKDRQ-LLVKDONJSA-N 1 0 247.342 2.082 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000320338732 342733499 /nfs/dbraw/zinc/73/34/99/342733499.db2.gz BHSAGEMROZDCPR-LBPRGKRZSA-N 1 0 224.348 2.233 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(C)CCOCC1 ZINC000602563606 349616428 /nfs/dbraw/zinc/61/64/28/349616428.db2.gz MXTAVZZWIGZCBT-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000335604177 136236131 /nfs/dbraw/zinc/23/61/31/136236131.db2.gz PEYPTVXFRXUJOQ-HTAVTVPLSA-N 1 0 204.317 2.458 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCCF ZINC000602566944 349618361 /nfs/dbraw/zinc/61/83/61/349618361.db2.gz GJVBZDYXSBNYLQ-LLVKDONJSA-N 1 0 228.311 2.035 20 30 BEEDRO CCCN(CC)CC[NH2+]C1CCC(C#N)CC1 ZINC000602566298 349618494 /nfs/dbraw/zinc/61/84/94/349618494.db2.gz XEIGOGUSHLOYSS-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1(C)CC1 ZINC000602566284 349618679 /nfs/dbraw/zinc/61/86/79/349618679.db2.gz WWYYKHZXOIGYCZ-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CCCN(CC)CC[NH2+]C[C@@H](C)CCC#N ZINC000602564291 349617103 /nfs/dbraw/zinc/61/71/03/349617103.db2.gz KQVQSDCQUFSFGP-ZDUSSCGKSA-N 1 0 225.380 2.248 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000602565624 349617554 /nfs/dbraw/zinc/61/75/54/349617554.db2.gz QNINPTMXVHWRSU-OCCSQVGLSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cncn1C)C1CC1 ZINC000530513101 342801405 /nfs/dbraw/zinc/80/14/05/342801405.db2.gz BYYAXTWFTATCTI-CQSZACIVSA-N 1 0 233.359 2.297 20 30 BEEDRO N#Cc1cccc(N[C@H](C[NH3+])C2CCCCC2)n1 ZINC000130845247 398284620 /nfs/dbraw/zinc/28/46/20/398284620.db2.gz JIVCVBMNXFVLBD-CYBMUJFWSA-N 1 0 244.342 2.273 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000602567761 349619575 /nfs/dbraw/zinc/61/95/75/349619575.db2.gz INCGYQQYOSDZLZ-UPJWGTAASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568720 349620160 /nfs/dbraw/zinc/62/01/60/349620160.db2.gz LFNKMZRLTQUZIH-LFUGVXIPSA-N 1 0 247.386 2.141 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568721 349620234 /nfs/dbraw/zinc/62/02/34/349620234.db2.gz LFNKMZRLTQUZIH-LPXQKFACSA-N 1 0 247.386 2.141 20 30 BEEDRO CC#CCC[NH2+]CC1Cc2ccccc2C1 ZINC000309699663 342793210 /nfs/dbraw/zinc/79/32/10/342793210.db2.gz SKGVZZWSQDDIFR-UHFFFAOYSA-N 1 0 213.324 2.404 20 30 BEEDRO CCC1([NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602573592 349623327 /nfs/dbraw/zinc/62/33/27/349623327.db2.gz SKLGLQOKOGISRT-UHFFFAOYSA-N 1 0 215.300 2.376 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)C1CC1 ZINC000309727786 342814540 /nfs/dbraw/zinc/81/45/40/342814540.db2.gz YNMZSTNOUXLGNZ-ZDUSSCGKSA-N 1 0 215.300 2.231 20 30 BEEDRO CC(C)(C)OC1CC([NH2+]CC(C)(C)C#N)C1 ZINC000336680221 342815748 /nfs/dbraw/zinc/81/57/48/342815748.db2.gz RDTUNUYBVMZOTO-UHFFFAOYSA-N 1 0 224.348 2.472 20 30 BEEDRO Cn1ccc(C[NH2+]C2CCC(C#N)CC2)c1 ZINC000602572718 349622424 /nfs/dbraw/zinc/62/24/24/349622424.db2.gz LDHQOAPTDIRKRE-UHFFFAOYSA-N 1 0 217.316 2.197 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccn(C)c1 ZINC000602573142 349622601 /nfs/dbraw/zinc/62/26/01/349622601.db2.gz OVAJUMCOZBYLDJ-LLVKDONJSA-N 1 0 205.305 2.055 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+]CC(C)(C)C#N ZINC000336744264 342824604 /nfs/dbraw/zinc/82/46/04/342824604.db2.gz PZRWHQJKYFTHHW-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000186692424 538974421 /nfs/dbraw/zinc/97/44/21/538974421.db2.gz QMOKDEGAKLOIAH-WPRPVWTQSA-N 1 0 226.345 2.039 20 30 BEEDRO C=CCOCC[NH2+]Cc1sccc1OC ZINC000380165988 538986512 /nfs/dbraw/zinc/98/65/12/538986512.db2.gz CLDCMUJVAWWOAW-UHFFFAOYSA-N 1 0 227.329 2.049 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000380167769 538986521 /nfs/dbraw/zinc/98/65/21/538986521.db2.gz CSZMBQDGNZDUGI-XQHKEYJVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1nc(C)no1 ZINC000380311300 538988688 /nfs/dbraw/zinc/98/86/88/538988688.db2.gz HFVLNXXVLMYPJG-SECBINFHSA-N 1 0 209.293 2.385 20 30 BEEDRO C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)C(F)(F)F ZINC000359661673 398293057 /nfs/dbraw/zinc/29/30/57/398293057.db2.gz HHYVXGPUMOUXMP-MRVPVSSYSA-N 1 0 245.248 2.185 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000380320450 538989391 /nfs/dbraw/zinc/98/93/91/538989391.db2.gz KFYYPPFGLURDQC-FRRDWIJNSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCCN(C)C1 ZINC000379974305 538983447 /nfs/dbraw/zinc/98/34/47/538983447.db2.gz CSKBHAAFNMUIFU-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCCCCC[NH+]1CCC(NC(C)=O)CC1 ZINC000193322487 539004559 /nfs/dbraw/zinc/00/45/59/539004559.db2.gz AFPHSJHXKZKGFX-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000304045640 398294888 /nfs/dbraw/zinc/29/48/88/398294888.db2.gz JOBRVIFTPHCWRS-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO N#CCC1(C[NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000619530052 398295481 /nfs/dbraw/zinc/29/54/81/398295481.db2.gz MUOKLZIEKCUZJL-UHFFFAOYSA-N 1 0 247.367 2.415 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000381229212 538996752 /nfs/dbraw/zinc/99/67/52/538996752.db2.gz KMYJCHBWWWCVOS-ZYHUDNBSSA-N 1 0 219.332 2.475 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000381396148 538999733 /nfs/dbraw/zinc/99/97/33/538999733.db2.gz OWNLYEMEPKXETR-RYUDHWBXSA-N 1 0 237.368 2.481 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](CO)c1sccc1C ZINC000381396147 538999983 /nfs/dbraw/zinc/99/99/83/538999983.db2.gz OWNLYEMEPKXETR-NWDGAFQWSA-N 1 0 237.368 2.481 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000602606126 349628256 /nfs/dbraw/zinc/62/82/56/349628256.db2.gz AIBLGMVNJDBKRR-XBFCOCLRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(Cl)o1 ZINC000388693580 539015162 /nfs/dbraw/zinc/01/51/62/539015162.db2.gz LNRWFCPNGAFOPJ-UHFFFAOYSA-N 1 0 215.680 2.225 20 30 BEEDRO CC(C)(C#N)CNCc1cccc(F)c1N ZINC000602607483 349629658 /nfs/dbraw/zinc/62/96/58/349629658.db2.gz LFLIKNQTZYGAMU-UHFFFAOYSA-N 1 0 221.279 2.047 20 30 BEEDRO COc1cc(C[NH2+]C(C)C)ccc1C#N ZINC000234829374 398302365 /nfs/dbraw/zinc/30/23/65/398302365.db2.gz XQKSQCXUCSMCME-UHFFFAOYSA-N 1 0 204.273 2.065 20 30 BEEDRO N#CC1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000602607884 349630760 /nfs/dbraw/zinc/63/07/60/349630760.db2.gz MODMDVYYUPOSID-CPCZMJQVSA-N 1 0 222.332 2.085 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cn1)C1CCC1 ZINC000518995705 398304305 /nfs/dbraw/zinc/30/43/05/398304305.db2.gz GNPYBJQRVZDAGS-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000351336113 136244284 /nfs/dbraw/zinc/24/42/84/136244284.db2.gz YNJGBHXCQXXSFS-NEPJUHHUSA-N 1 0 211.349 2.434 20 30 BEEDRO Cc1cc(C[N@H+](CCO)C2CCC2)ccc1C#N ZINC000489051935 398308188 /nfs/dbraw/zinc/30/81/88/398308188.db2.gz YMUMVPZVYMVHHA-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO CCC[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)OC ZINC000602607861 349631210 /nfs/dbraw/zinc/63/12/10/349631210.db2.gz KIWSGFZAFGQACS-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO N#Cc1ccccc1OCCC1CC[NH2+]CC1 ZINC000134494711 342859045 /nfs/dbraw/zinc/85/90/45/342859045.db2.gz NQYFZMROVLFVKZ-UHFFFAOYSA-N 1 0 230.311 2.327 20 30 BEEDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000278785140 398315989 /nfs/dbraw/zinc/31/59/89/398315989.db2.gz VZVCGDZZPOZRFC-AWEZNQCLSA-N 1 0 248.326 2.278 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000020206212 398316053 /nfs/dbraw/zinc/31/60/53/398316053.db2.gz IQCSIGSWMZRRHV-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000232820013 342886103 /nfs/dbraw/zinc/88/61/03/342886103.db2.gz HCFJVJVEHDESPP-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCCOC1 ZINC000602609854 349633928 /nfs/dbraw/zinc/63/39/28/349633928.db2.gz XSJGOXARXZYKLY-NELGMTEASA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@](C)(C[NH+]1CCC(C)(C#N)CC1)OC ZINC000602610330 349634003 /nfs/dbraw/zinc/63/40/03/349634003.db2.gz ZIZIVVCJHFCHDL-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000602612148 349635843 /nfs/dbraw/zinc/63/58/43/349635843.db2.gz GOIADIRARROUNV-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCCC[N@@H+](C)CCOC1CCOCC1 ZINC000625177744 342902106 /nfs/dbraw/zinc/90/21/06/342902106.db2.gz VQBIXTMWLBYAJG-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000104161328 398323893 /nfs/dbraw/zinc/32/38/93/398323893.db2.gz KHPXRFIPRQGWJY-CYBMUJFWSA-N 1 0 249.358 2.079 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000602612728 349636319 /nfs/dbraw/zinc/63/63/19/349636319.db2.gz PZYJIUNGVWHDSU-DJLDLDEBSA-N 1 0 202.248 2.312 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000602612729 349636333 /nfs/dbraw/zinc/63/63/33/349636333.db2.gz PZYJIUNGVWHDSU-HLTSFMKQSA-N 1 0 202.248 2.312 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000602615070 349638141 /nfs/dbraw/zinc/63/81/41/349638141.db2.gz QBWJZKPMDZMZEU-ZDUSSCGKSA-N 1 0 243.354 2.468 20 30 BEEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602616295 349639022 /nfs/dbraw/zinc/63/90/22/349639022.db2.gz UPOLMHITIQJQKH-QJPTWQEYSA-N 1 0 240.347 2.104 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)c1ccsc1 ZINC000602619067 349640413 /nfs/dbraw/zinc/64/04/13/349640413.db2.gz LCCUCIUSRIIMJC-ZYHUDNBSSA-N 1 0 238.356 2.311 20 30 BEEDRO CN(C)C1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602631558 349648430 /nfs/dbraw/zinc/64/84/30/349648430.db2.gz ZAQYHAYWQLOKBO-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCCCC[NH2+]C(C)(C)C(=O)NCC ZINC000313055200 259330116 /nfs/dbraw/zinc/33/01/16/259330116.db2.gz CMPKCGXXFNKMQV-UHFFFAOYSA-N 1 0 226.364 2.237 20 30 BEEDRO C[C@H](O)CC[N@H+](C)CC(C)(C)CCC#N ZINC000093481973 344011407 /nfs/dbraw/zinc/01/14/07/344011407.db2.gz IPMJYNQLHFJLEH-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000602625070 349643124 /nfs/dbraw/zinc/64/31/24/349643124.db2.gz CSMUYWWFJGAXHV-MQYQWHSLSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1C[C@H](C)CCC#N ZINC000602625038 349643206 /nfs/dbraw/zinc/64/32/06/349643206.db2.gz CSMUYWWFJGAXHV-AAVRWANBSA-N 1 0 238.375 2.408 20 30 BEEDRO C=CCCCCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418034358 398327717 /nfs/dbraw/zinc/32/77/17/398327717.db2.gz OMZKWUHDNSAIHN-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CCCCO1 ZINC000602596165 349643745 /nfs/dbraw/zinc/64/37/45/349643745.db2.gz ILQHBWLJWDEPTO-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO CC[C@](C)(C[NH+]1CCC(CC#N)CC1)OC ZINC000602596152 349643820 /nfs/dbraw/zinc/64/38/20/349643820.db2.gz IBONTFGRKIKCBW-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ncnn1C(C)(C)C ZINC000602653246 349660391 /nfs/dbraw/zinc/66/03/91/349660391.db2.gz NXJGOUMBQIRVPP-NSHDSACASA-N 1 0 249.362 2.063 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCOC(F)(F)F ZINC000602639850 349652723 /nfs/dbraw/zinc/65/27/23/349652723.db2.gz BMMQWQAEBZXPJD-MRVPVSSYSA-N 1 0 224.226 2.052 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(C#N)n1 ZINC000602646186 349657538 /nfs/dbraw/zinc/65/75/38/349657538.db2.gz ABNNAEXTDNMEAA-NSHDSACASA-N 1 0 215.300 2.398 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(CN(C)C)CCC1 ZINC000602647107 349657983 /nfs/dbraw/zinc/65/79/83/349657983.db2.gz FXCKRCOFELECII-LBPRGKRZSA-N 1 0 223.364 2.000 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCSC1 ZINC000602645742 349657991 /nfs/dbraw/zinc/65/79/91/349657991.db2.gz ZIYSVKRJMKNCBG-QWRGUYRKSA-N 1 0 212.362 2.269 20 30 BEEDRO Cc1cccc(CC[NH2+]C[C@H](C)CCC#N)n1 ZINC000602647659 349658731 /nfs/dbraw/zinc/65/87/31/349658731.db2.gz JMOJUAOKRCGPET-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000234009328 342939380 /nfs/dbraw/zinc/93/93/80/342939380.db2.gz IXZYTLYRQIPZFN-GRYCIOLGSA-N 1 0 210.321 2.226 20 30 BEEDRO Cc1nocc1C[NH2+]C[C@H](C)CCC#N ZINC000602675816 349669080 /nfs/dbraw/zinc/66/90/80/349669080.db2.gz OMKZOTUPLZUIHE-SECBINFHSA-N 1 0 207.277 2.013 20 30 BEEDRO COC[C@]1(C)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602675594 349669099 /nfs/dbraw/zinc/66/90/99/349669099.db2.gz UVZZQQWNJJJDRX-QWHCGFSZSA-N 1 0 224.348 2.285 20 30 BEEDRO Cc1nocc1C[NH2+]C[C@@H](C)CCC#N ZINC000602675817 349669207 /nfs/dbraw/zinc/66/92/07/349669207.db2.gz OMKZOTUPLZUIHE-VIFPVBQESA-N 1 0 207.277 2.013 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000602677077 349669910 /nfs/dbraw/zinc/66/99/10/349669910.db2.gz QFLPFHGCULEXRV-QWHCGFSZSA-N 1 0 232.331 2.070 20 30 BEEDRO C[C@H]1CCC[C@]1(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602677483 349670008 /nfs/dbraw/zinc/67/00/08/349670008.db2.gz VBPVCVILLMKADG-ABXWRUBCSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000602676740 349670089 /nfs/dbraw/zinc/67/00/89/349670089.db2.gz VTYYTQWWQAHFKE-GHMZBOCLSA-N 1 0 233.315 2.378 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]C1CCC(C#N)CC1 ZINC000602678512 349670810 /nfs/dbraw/zinc/67/08/10/349670810.db2.gz DOYWFQKHHFUCQL-UNXYVOJBSA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cncc(F)c1 ZINC000272956161 346887255 /nfs/dbraw/zinc/88/72/55/346887255.db2.gz KWILFRVWDWVTFP-SECBINFHSA-N 1 0 207.252 2.175 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000602671073 349666042 /nfs/dbraw/zinc/66/60/42/349666042.db2.gz IJNSMMLQPVTOEP-KGLIPLIRSA-N 1 0 249.402 2.342 20 30 BEEDRO CCC[C@H](C[N@H+](C)CC(C)(C)C#N)OC ZINC000602673030 349666579 /nfs/dbraw/zinc/66/65/79/349666579.db2.gz BJKLFEKSDWMEPA-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO CCC1(C[NH2+]C2CCC(C#N)CC2)COC1 ZINC000602682541 349674600 /nfs/dbraw/zinc/67/46/00/349674600.db2.gz FUKQIYWDEGSKDI-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCC[C@@H]1CCOC1 ZINC000602683530 349675449 /nfs/dbraw/zinc/67/54/49/349675449.db2.gz ZZFVUORRWMWGBE-CHWSQXEVSA-N 1 0 224.348 2.333 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602683372 349675545 /nfs/dbraw/zinc/67/55/45/349675545.db2.gz VKOGQPCXJPMYFI-PSPOIRCVSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000602684376 349676053 /nfs/dbraw/zinc/67/60/53/349676053.db2.gz WXOAGGAVOIMWOG-UTUOFQBUSA-N 1 0 232.331 2.418 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000602684377 349676348 /nfs/dbraw/zinc/67/63/48/349676348.db2.gz WXOAGGAVOIMWOG-WOPDTQHZSA-N 1 0 232.331 2.418 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000602685201 349677145 /nfs/dbraw/zinc/67/71/45/349677145.db2.gz YWLIHMGVYCNHGZ-RWMBFGLXSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000246900364 398340567 /nfs/dbraw/zinc/34/05/67/398340567.db2.gz MIIAKBFWUVACEU-VXGBXAGGSA-N 1 0 227.373 2.159 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000602687991 349678195 /nfs/dbraw/zinc/67/81/95/349678195.db2.gz UCLRCYBYCYHUDE-GHMZBOCLSA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CCCCO ZINC000602680102 349672443 /nfs/dbraw/zinc/67/24/43/349672443.db2.gz OUXAFKRRHOXQEB-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO N#CC1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000602679997 349672502 /nfs/dbraw/zinc/67/25/02/349672502.db2.gz CDJNLVYHNQHVGO-MOKVOYLWSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C2CC(n3cccn3)C2)C1 ZINC000602679414 349672604 /nfs/dbraw/zinc/67/26/04/349672604.db2.gz KENGXNONMRAXMC-FEPKRQSRSA-N 1 0 244.342 2.259 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)n1 ZINC000602679877 349672689 /nfs/dbraw/zinc/67/26/89/349672689.db2.gz AZKXWZJOGHEKRG-FZMZJTMJSA-N 1 0 227.311 2.089 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CCN1C ZINC000602681531 349673187 /nfs/dbraw/zinc/67/31/87/349673187.db2.gz VZWYRHFLYXYNDL-XUXIUFHCSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000602681241 349673206 /nfs/dbraw/zinc/67/32/06/349673206.db2.gz NEIBNKQCCSYUES-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000602681005 349673258 /nfs/dbraw/zinc/67/32/58/349673258.db2.gz HGUGDVFINNTOCN-KGLIPLIRSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(CF)CCOCC1 ZINC000602681520 349673605 /nfs/dbraw/zinc/67/36/05/349673605.db2.gz VRXBNFARTGGFNX-NSHDSACASA-N 1 0 228.311 2.035 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602681270 349673616 /nfs/dbraw/zinc/67/36/16/349673616.db2.gz NGACUCRPWFMTAX-MCIGGMRASA-N 1 0 222.332 2.083 20 30 BEEDRO CCc1nnc(C[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602667245 349684602 /nfs/dbraw/zinc/68/46/02/349684602.db2.gz OXUFNUWPUSPCSS-VIFPVBQESA-N 1 0 238.360 2.130 20 30 BEEDRO CCc1nnc(C[NH2+]C[C@H](C)CCC#N)s1 ZINC000602667243 349684781 /nfs/dbraw/zinc/68/47/81/349684781.db2.gz OXUFNUWPUSPCSS-SECBINFHSA-N 1 0 238.360 2.130 20 30 BEEDRO CC(C)[N@@H+](C[C@@H](C)CCC#N)C1COC1 ZINC000602670281 349686691 /nfs/dbraw/zinc/68/66/91/349686691.db2.gz DFAJJOUPOWGEHE-NSHDSACASA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000351759767 136252695 /nfs/dbraw/zinc/25/26/95/136252695.db2.gz SUILSJHKOYNFHO-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C[C@H](CF)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602661699 349681166 /nfs/dbraw/zinc/68/11/66/349681166.db2.gz INJHFKDZWRVRDA-GHMZBOCLSA-N 1 0 228.311 2.033 20 30 BEEDRO CC[N@H+](CCC[NH+](C)C)C[C@H](C)CCC#N ZINC000602661543 349681261 /nfs/dbraw/zinc/68/12/61/349681261.db2.gz DYJPYDHHGGGQCL-CYBMUJFWSA-N 1 0 225.380 2.200 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](N2CCCC2)C[C@H]1C ZINC000602662502 349681827 /nfs/dbraw/zinc/68/18/27/349681827.db2.gz OMSGNBLTXJECAM-RBSFLKMASA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CC2CCSCC2)C1 ZINC000602718876 349687646 /nfs/dbraw/zinc/68/76/46/349687646.db2.gz RUTALHOLXBIPPL-GFCCVEGCSA-N 1 0 224.373 2.365 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC12CC2 ZINC000602692730 349689643 /nfs/dbraw/zinc/68/96/43/349689643.db2.gz AMRVJICCUWQDTA-NWDGAFQWSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000602694315 349690929 /nfs/dbraw/zinc/69/09/29/349690929.db2.gz ZWWPYDHIRGXSTM-FQUUOJAGSA-N 1 0 248.370 2.473 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000602699136 349695160 /nfs/dbraw/zinc/69/51/60/349695160.db2.gz JLHLGJQUDBRBRZ-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CS1 ZINC000602694905 349691476 /nfs/dbraw/zinc/69/14/76/349691476.db2.gz PHUBVGZWGPGIIN-LMLFDSFASA-N 1 0 210.346 2.162 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000602719062 349691733 /nfs/dbraw/zinc/69/17/33/349691733.db2.gz VTGYZLBBYJOGRJ-MOKVOYLWSA-N 1 0 236.359 2.067 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000602695465 349692427 /nfs/dbraw/zinc/69/24/27/349692427.db2.gz WMYAZIANEFKPCD-FRRDWIJNSA-N 1 0 224.348 2.019 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000602696064 349692584 /nfs/dbraw/zinc/69/25/84/349692584.db2.gz CDNXRDFLNWNRAK-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@](C)(C[NH2+]CC1(C#N)CCC1)OC ZINC000602698244 349694318 /nfs/dbraw/zinc/69/43/18/349694318.db2.gz MTRQPDQTQKDAHD-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)[C@H](C)CO1 ZINC000602698318 349694366 /nfs/dbraw/zinc/69/43/66/349694366.db2.gz JQEAEJBMUTXDLW-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)C(C)C ZINC000602692176 349688987 /nfs/dbraw/zinc/68/89/87/349688987.db2.gz WAFQFFLNCIQBGB-NWINJMCUSA-N 1 0 238.375 2.454 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000602705831 349699896 /nfs/dbraw/zinc/69/98/96/349699896.db2.gz MSVIJIHDFDUFCC-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000309013775 133452994 /nfs/dbraw/zinc/45/29/94/133452994.db2.gz SUGZKZYDSOZOES-ZJUUUORDSA-N 1 0 211.349 2.194 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1COC(C)(C)C1 ZINC000602705833 349700003 /nfs/dbraw/zinc/70/00/03/349700003.db2.gz MSVIJIHDFDUFCC-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000602707700 349700675 /nfs/dbraw/zinc/70/06/75/349700675.db2.gz PBXCJDNJMLQPRK-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000352200815 536716400 /nfs/dbraw/zinc/71/64/00/536716400.db2.gz BXDORXAEKMAHBO-UHFFFAOYSA-N 1 0 230.311 2.167 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000602711040 349703331 /nfs/dbraw/zinc/70/33/31/349703331.db2.gz NPCCMGKEZGKDIP-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC000602711036 349703516 /nfs/dbraw/zinc/70/35/16/349703516.db2.gz NPCCMGKEZGKDIP-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000351836126 136256843 /nfs/dbraw/zinc/25/68/43/136256843.db2.gz PCONIMVSAKQRQQ-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602700359 349695864 /nfs/dbraw/zinc/69/58/64/349695864.db2.gz TVRWDOVUEKVEMG-RYSNWHEDSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)CCN1CCN(CC(C)C)C(=O)[C@@H]1C ZINC000351825395 136255724 /nfs/dbraw/zinc/25/57/24/136255724.db2.gz YHFHUPLVEOLTPR-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000351845939 136257242 /nfs/dbraw/zinc/25/72/42/136257242.db2.gz XDXLXDPICCVDEN-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[NH+](CC)CCCNCc1cccc(C#N)c1 ZINC000019942869 342963947 /nfs/dbraw/zinc/96/39/47/342963947.db2.gz KUBSOSYGMYFJGX-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO CN(Cc1cccc(C#N)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000053245248 1172018481 /nfs/dbraw/zinc/01/84/81/1172018481.db2.gz IVNABKLKJJJMCC-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000495229311 529572814 /nfs/dbraw/zinc/57/28/14/529572814.db2.gz NZAHHFOBAUYSIQ-OAHLLOKOSA-N 1 0 247.313 2.024 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)CC1 ZINC000602769213 349723864 /nfs/dbraw/zinc/72/38/64/349723864.db2.gz SLOFXUQXDPPVDC-GFCCVEGCSA-N 1 0 244.342 2.283 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602722469 349713410 /nfs/dbraw/zinc/71/34/10/349713410.db2.gz DSMVWAUEMIUACE-JXQTWKCFSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1nccn1C ZINC000602721726 349713456 /nfs/dbraw/zinc/71/34/56/349713456.db2.gz KCEDBAGKVOZEJM-WDEREUQCSA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000602726195 349715566 /nfs/dbraw/zinc/71/55/66/349715566.db2.gz WCXMFWHQIIAJFJ-KGYLQXTDSA-N 1 0 222.332 2.083 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000602801362 349741744 /nfs/dbraw/zinc/74/17/44/349741744.db2.gz QDYIUTZYPAQKDA-ZIAGYGMSSA-N 1 0 248.370 2.429 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(CC2(CC#N)CC2)C[C@@H]1C ZINC000602801377 349741751 /nfs/dbraw/zinc/74/17/51/349741751.db2.gz SFAITMINQMAQLD-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1OCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000602805353 349744112 /nfs/dbraw/zinc/74/41/12/349744112.db2.gz JLMRFXKVFPVZNC-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602779356 349744680 /nfs/dbraw/zinc/74/46/80/349744680.db2.gz MFRNRZOWXQAJLG-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO CCC1(CNC(=[NH2+])Nc2ccccn2)CCC1 ZINC000176635871 346914826 /nfs/dbraw/zinc/91/48/26/346914826.db2.gz RIHNHEDLWJMYRQ-UHFFFAOYSA-N 1 0 232.331 2.389 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000602821513 349762352 /nfs/dbraw/zinc/76/23/52/349762352.db2.gz OYLJIGAELJMVSU-LBPRGKRZSA-N 1 0 242.322 2.143 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(CC2(CC#N)CC2)CC1 ZINC000602824186 349764372 /nfs/dbraw/zinc/76/43/72/349764372.db2.gz XVVRNVUNGLWXIT-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C[N@H+](CCC1CCOCC1)CC1(CC#N)CC1 ZINC000602787915 349751361 /nfs/dbraw/zinc/75/13/61/349751361.db2.gz LTVLWBCUWMDNTP-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)CO[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602789327 349752424 /nfs/dbraw/zinc/75/24/24/349752424.db2.gz UOMMHTDNVSPQDU-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CO)c2ccc(F)cc2)CC1 ZINC000602808549 349753169 /nfs/dbraw/zinc/75/31/69/349753169.db2.gz XPGDDACNTIUNMF-ZDUSSCGKSA-N 1 0 248.301 2.143 20 30 BEEDRO Cc1cnn([C@H]2CC[N@H+](CC3(CC#N)CC3)C2)c1 ZINC000602836129 349775357 /nfs/dbraw/zinc/77/53/57/349775357.db2.gz GCCZSOVZUBVVLB-ZDUSSCGKSA-N 1 0 244.342 2.132 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccoc1C(=O)OC ZINC000162636164 349779069 /nfs/dbraw/zinc/77/90/69/349779069.db2.gz MJWYKUGYNLWSEQ-SECBINFHSA-N 1 0 223.272 2.120 20 30 BEEDRO C[C@@H]([NH2+]C1CC1)c1ccc(OCC#N)cc1 ZINC000037183756 133458658 /nfs/dbraw/zinc/45/86/58/133458658.db2.gz LHUSAEROINUEAK-SNVBAGLBSA-N 1 0 216.284 2.402 20 30 BEEDRO CC1(C)CO[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000602806051 349769551 /nfs/dbraw/zinc/76/95/51/349769551.db2.gz KYGDYNNUYXPPME-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@]1([NH2+]CC2(CC#N)CC2)CCO[C@@H]1C1CC1 ZINC000602806421 349769637 /nfs/dbraw/zinc/76/96/37/349769637.db2.gz TUZOPTLVUNQZHS-CHWSQXEVSA-N 1 0 234.343 2.227 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CO)c2cccc(F)c2)CC1 ZINC000602806797 349769819 /nfs/dbraw/zinc/76/98/19/349769819.db2.gz QBJZFDCDZLJAQM-ZDUSSCGKSA-N 1 0 248.301 2.143 20 30 BEEDRO CC/C=C/CC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855159 349788279 /nfs/dbraw/zinc/78/82/79/349788279.db2.gz STNLCHGZVHDNSB-BEVHLOIGSA-N 1 0 235.375 2.261 20 30 BEEDRO C[C@@H]1C[N@H+]([C@H]2C=CCCC2)C[C@H](C)N1CC#N ZINC000602858398 349788688 /nfs/dbraw/zinc/78/86/88/349788688.db2.gz RQMIZZIKWWXNGG-MJBXVCDLSA-N 1 0 233.359 2.013 20 30 BEEDRO C[C@H]1C[NH+](CCC(C)(C)C)C[C@H](C)N1CC#N ZINC000602856099 349788985 /nfs/dbraw/zinc/78/89/85/349788985.db2.gz YKMWTUXQRXCTIJ-STQMWFEESA-N 1 0 237.391 2.341 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602878923 349790791 /nfs/dbraw/zinc/79/07/91/349790791.db2.gz CPKPUNNPLDNCHN-GFCCVEGCSA-N 1 0 218.304 2.240 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000602881563 349791899 /nfs/dbraw/zinc/79/18/99/349791899.db2.gz FYRMETPKCBOGJY-LBPRGKRZSA-N 1 0 244.342 2.201 20 30 BEEDRO CC(C)C[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849745 349784313 /nfs/dbraw/zinc/78/43/13/349784313.db2.gz NGBMHMOMRLWHJP-IHRRRGAJSA-N 1 0 237.391 2.339 20 30 BEEDRO C[C@H]1C[NH+](CC2=CCCC2)C[C@H](C)N1CC#N ZINC000602850196 349785415 /nfs/dbraw/zinc/78/54/15/349785415.db2.gz PKDGCGWEDKCCPH-STQMWFEESA-N 1 0 233.359 2.015 20 30 BEEDRO C[C@@H]1C[NH+](CCC2CCC2)C[C@@H](C)N1CC#N ZINC000602851151 349785496 /nfs/dbraw/zinc/78/54/96/349785496.db2.gz TVEGLDBMPOVVNZ-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCC[NH+]1CCC(n2ccnc2)CC1 ZINC000117882086 358452270 /nfs/dbraw/zinc/45/22/70/358452270.db2.gz CHKULSNNDWNALN-UHFFFAOYSA-N 1 0 219.332 2.486 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1c1cccn1C ZINC000172735736 187226667 /nfs/dbraw/zinc/22/66/67/187226667.db2.gz GWSKHJBRAXTGOJ-CYBMUJFWSA-N 1 0 202.301 2.185 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000174551493 187227608 /nfs/dbraw/zinc/22/76/08/187227608.db2.gz OSQGBHSZFIKVEL-CYBMUJFWSA-N 1 0 246.358 2.062 20 30 BEEDRO CC[NH+]1CCC(Nc2nc(C)ccc2C#N)CC1 ZINC000043395615 343062756 /nfs/dbraw/zinc/06/27/56/343062756.db2.gz UTHFSYKJUJMLQJ-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[NH+](CCC)CC1 ZINC000352883725 136265133 /nfs/dbraw/zinc/26/51/33/136265133.db2.gz OZBJAPLMAFXESC-CQSZACIVSA-N 1 0 238.375 2.143 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@](C)(O)CC ZINC000189720121 187229180 /nfs/dbraw/zinc/22/91/80/187229180.db2.gz CKNQSQKINLXQIW-OAHLLOKOSA-N 1 0 231.339 2.283 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000359535702 136267103 /nfs/dbraw/zinc/26/71/03/136267103.db2.gz INCUDVLKJDZMAX-ZDUSSCGKSA-N 1 0 236.290 2.143 20 30 BEEDRO N#CCCCC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000359535700 136267125 /nfs/dbraw/zinc/26/71/25/136267125.db2.gz INCUDVLKJDZMAX-CYBMUJFWSA-N 1 0 236.290 2.143 20 30 BEEDRO CSC[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000379358532 343097537 /nfs/dbraw/zinc/09/75/37/343097537.db2.gz VPXMKKWLYRDTIR-ZJUUUORDSA-N 1 0 200.351 2.267 20 30 BEEDRO C=C(C)Cn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000640803418 362051082 /nfs/dbraw/zinc/05/10/82/362051082.db2.gz LEECEUMWRORYPU-AWEZNQCLSA-N 1 0 242.326 2.097 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387506874 343095534 /nfs/dbraw/zinc/09/55/34/343095534.db2.gz DQVVDYADSYXGTQ-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CN(CC)Cc1ncc(Cl)n1C ZINC000052890424 343117656 /nfs/dbraw/zinc/11/76/56/343117656.db2.gz SIUNVTPSPUNBNK-UHFFFAOYSA-N 1 0 227.739 2.472 20 30 BEEDRO Cc1cnn(CCCCC[NH2+][C@H](C)CC#N)c1 ZINC000602864737 349796814 /nfs/dbraw/zinc/79/68/14/349796814.db2.gz VIIXEGRKGTZFOW-CYBMUJFWSA-N 1 0 234.347 2.254 20 30 BEEDRO C=CCCCn1cc(C[NH2+]C2CCCC2)nn1 ZINC000640935604 362073173 /nfs/dbraw/zinc/07/31/73/362073173.db2.gz FGZOTOBSFWBMIY-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CCCCn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000640936457 362075639 /nfs/dbraw/zinc/07/56/39/362075639.db2.gz YKUWCWPFAINCFL-AWEZNQCLSA-N 1 0 242.326 2.292 20 30 BEEDRO C=CCCCCn1cc([C@@](C)([NH3+])CC)nn1 ZINC000640939227 362077408 /nfs/dbraw/zinc/07/74/08/362077408.db2.gz LWMSUMJKAFBRKA-LBPRGKRZSA-N 1 0 222.336 2.218 20 30 BEEDRO CC#CC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000266019934 187234960 /nfs/dbraw/zinc/23/49/60/187234960.db2.gz WBTNOSSTYXOAPN-UHFFFAOYSA-N 1 0 247.342 2.396 20 30 BEEDRO C#CC[C@H]([NH2+]CCCOC)c1ccccc1 ZINC000271658793 187236671 /nfs/dbraw/zinc/23/66/71/187236671.db2.gz CXWJYEOZGCWTLC-AWEZNQCLSA-N 1 0 217.312 2.377 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270577151 187236867 /nfs/dbraw/zinc/23/68/67/187236867.db2.gz IBENHLYYYCJLJJ-CHWSQXEVSA-N 1 0 233.311 2.191 20 30 BEEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCOCCC#N ZINC000339091577 136271082 /nfs/dbraw/zinc/27/10/82/136271082.db2.gz WFIXXDVKNXNNFQ-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCOCCC#N ZINC000339009359 136271381 /nfs/dbraw/zinc/27/13/81/136271381.db2.gz AZAKGNLVYVBYQR-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)N(C)C)C1CC1 ZINC000125320199 136271450 /nfs/dbraw/zinc/27/14/50/136271450.db2.gz NKVIEMSTHUGOFH-AAEUAGOBSA-N 1 0 210.365 2.271 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)C2CCCC2)n1 ZINC000279701908 187241202 /nfs/dbraw/zinc/24/12/02/187241202.db2.gz JCAVCIFDLOKRCT-UHFFFAOYSA-N 1 0 231.343 2.281 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000683676497 488206454 /nfs/dbraw/zinc/20/64/54/488206454.db2.gz YJPFMVHHMYYTIX-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO N#CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042549153 136272902 /nfs/dbraw/zinc/27/29/02/136272902.db2.gz RXYJDXSTZGILMC-UHFFFAOYSA-N 1 0 245.282 2.473 20 30 BEEDRO C=CC[NH2+][C@H](CO)c1ccc(CC)cc1 ZINC000309027499 136274479 /nfs/dbraw/zinc/27/44/79/136274479.db2.gz BNNBUQWEQOPDCN-CYBMUJFWSA-N 1 0 205.301 2.058 20 30 BEEDRO C=CC[NH2+]C1(CC(=O)OCC)CCCC1 ZINC000309032449 136274514 /nfs/dbraw/zinc/27/45/14/136274514.db2.gz FRKYRACLFWGJLB-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)C1CC1 ZINC000309039930 136274769 /nfs/dbraw/zinc/27/47/69/136274769.db2.gz KOEHLBARFBPGPJ-WZRBSPASSA-N 1 0 211.349 2.480 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(F)CC2)cc1F ZINC000580034771 343214079 /nfs/dbraw/zinc/21/40/79/343214079.db2.gz TXKCQMCXCZEXQW-UHFFFAOYSA-N 1 0 222.238 2.289 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000336773382 136276364 /nfs/dbraw/zinc/27/63/64/136276364.db2.gz YPEULHWIXGYKTF-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)C#N)CC2 ZINC000133255168 343190520 /nfs/dbraw/zinc/19/05/20/343190520.db2.gz YGKHFGJBYHPFRK-FZMZJTMJSA-N 1 0 244.338 2.302 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)C#N)CC2 ZINC000133254980 343190607 /nfs/dbraw/zinc/19/06/07/343190607.db2.gz YGKHFGJBYHPFRK-RISCZKNCSA-N 1 0 244.338 2.302 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cnccc1C#N ZINC000135602794 343193889 /nfs/dbraw/zinc/19/38/89/343193889.db2.gz SFXWSHAAZJLORR-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634685864 343224679 /nfs/dbraw/zinc/22/46/79/343224679.db2.gz XBTATWBIJWMCGQ-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO CCc1nn(C)c(Cl)c1C[NH2+]CCCC#N ZINC000273023686 136282921 /nfs/dbraw/zinc/28/29/21/136282921.db2.gz FBHKQGVVSSVXAC-UHFFFAOYSA-N 1 0 240.738 2.029 20 30 BEEDRO C[C@H](CC#N)NCc1cc(O)ccc1Cl ZINC000602871275 349802694 /nfs/dbraw/zinc/80/26/94/349802694.db2.gz PPVYGUHWNXWTTL-MRVPVSSYSA-N 1 0 224.691 2.437 20 30 BEEDRO Cc1ccc(C[NH2+]CCCC#N)cc1[N+](=O)[O-] ZINC000273110395 136283975 /nfs/dbraw/zinc/28/39/75/136283975.db2.gz XHJVNIVMZIQPNR-UHFFFAOYSA-N 1 0 233.271 2.297 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1ccc(N(C)C)cc1 ZINC000274109077 136284704 /nfs/dbraw/zinc/28/47/04/136284704.db2.gz YUKVGMQCYVZMJZ-GFCCVEGCSA-N 1 0 231.343 2.344 20 30 BEEDRO CN(C)[C@H](C[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000343398819 343243110 /nfs/dbraw/zinc/24/31/10/343243110.db2.gz DIYITHIJIDAOCM-CYBMUJFWSA-N 1 0 249.383 2.050 20 30 BEEDRO Cc1ccnc(NCC[NH2+]C(C)(C)C)c1C#N ZINC000343431617 343243578 /nfs/dbraw/zinc/24/35/78/343243578.db2.gz GMFLWATUWJWFHF-UHFFFAOYSA-N 1 0 232.331 2.062 20 30 BEEDRO NC(=[NH2+])Nc1nc(C2CCCCC2)cs1 ZINC000030005256 136278265 /nfs/dbraw/zinc/27/82/65/136278265.db2.gz PIKDWXFBOGQUFV-UHFFFAOYSA-N 1 0 224.333 2.096 20 30 BEEDRO CC(C)CO[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339018662 136279719 /nfs/dbraw/zinc/27/97/19/136279719.db2.gz CSEZSIJLLVJDAK-MELADBBJSA-N 1 0 236.359 2.426 20 30 BEEDRO CN(CC1([NH+](C)C)CCC1)[C@H]1CC[C@H](C#N)C1 ZINC000339112384 136280359 /nfs/dbraw/zinc/28/03/59/136280359.db2.gz NQAYZRRSKQFQGC-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@H]1C ZINC000339112874 136280465 /nfs/dbraw/zinc/28/04/65/136280465.db2.gz WEWMUHWNQFEQKH-UMSGYPCISA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@@H](c1cccc(O)c1)[N@H+](C)CCOCCC#N ZINC000292668488 136289220 /nfs/dbraw/zinc/28/92/20/136289220.db2.gz AXHOSOQLKOHNDF-LBPRGKRZSA-N 1 0 248.326 2.315 20 30 BEEDRO C=C(C)C[N@H+](C)CCCn1ccnc1C ZINC000119844667 136292303 /nfs/dbraw/zinc/29/23/03/136292303.db2.gz KFICIHYGNLUATC-UHFFFAOYSA-N 1 0 207.321 2.090 20 30 BEEDRO CN(CCC#N)CCCOc1cccc(C#N)c1 ZINC000034674319 343277027 /nfs/dbraw/zinc/27/70/27/343277027.db2.gz PMBJNKVSMFGUDK-UHFFFAOYSA-N 1 0 243.310 2.173 20 30 BEEDRO CCC[N@@H+]1CCC[C@H]1CNc1ncccc1C#N ZINC000343973391 343317956 /nfs/dbraw/zinc/31/79/56/343317956.db2.gz QUCLFBKLZLTBOW-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CCC[N@@H+](C)CC1 ZINC000165435495 343332461 /nfs/dbraw/zinc/33/24/61/343332461.db2.gz ZQZGQHMWEALNGZ-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO CC#CC[NH+]1CCC(c2cccnc2)CC1 ZINC000678169300 488211154 /nfs/dbraw/zinc/21/11/54/488211154.db2.gz MMVSDNDDPGABCJ-UHFFFAOYSA-N 1 0 214.312 2.284 20 30 BEEDRO C[C@@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(C#N)o1 ZINC000343979602 343317178 /nfs/dbraw/zinc/31/71/78/343317178.db2.gz WZKVXZIMYXUCTL-QWRGUYRKSA-N 1 0 234.299 2.198 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC000165448225 343350959 /nfs/dbraw/zinc/35/09/59/343350959.db2.gz TWGAATPLJFIPFP-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C1CC(O)C1 ZINC000335673540 136317134 /nfs/dbraw/zinc/31/71/34/136317134.db2.gz REWOXWLPWAMNGQ-FNBIGBAISA-N 1 0 230.311 2.074 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(C#N)o1 ZINC000344584921 343422230 /nfs/dbraw/zinc/42/22/30/343422230.db2.gz WMHZWMVULUDNIC-WDEREUQCSA-N 1 0 236.315 2.038 20 30 BEEDRO COC1CCC(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000344608479 343422265 /nfs/dbraw/zinc/42/22/65/343422265.db2.gz YAXDQUBYXQDSMI-UHFFFAOYSA-N 1 0 248.326 2.446 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccc(C#N)cn2)CC1 ZINC000602907554 349807211 /nfs/dbraw/zinc/80/72/11/349807211.db2.gz NQSPBHCHDZIOIH-UHFFFAOYSA-N 1 0 239.322 2.156 20 30 BEEDRO C=C(CC)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621381630 343395966 /nfs/dbraw/zinc/39/59/66/343395966.db2.gz YBJUYDVINOALRR-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(c2nccs2)CC1 ZINC000299230724 343398563 /nfs/dbraw/zinc/39/85/63/343398563.db2.gz FZDSOEPHJXZISU-UHFFFAOYSA-N 1 0 237.372 2.231 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000306516432 133479306 /nfs/dbraw/zinc/47/93/06/133479306.db2.gz XZXKAZYAHUBDBO-ONGXEEELSA-N 1 0 210.346 2.164 20 30 BEEDRO N#Cc1ccccc1C[NH+]1CCC2(CCO2)CC1 ZINC000367091971 136344836 /nfs/dbraw/zinc/34/48/36/136344836.db2.gz MROZFZLWDLPQCG-UHFFFAOYSA-N 1 0 242.322 2.313 20 30 BEEDRO N#CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000335721123 136345578 /nfs/dbraw/zinc/34/55/78/136345578.db2.gz ZWJRXFVZTYXHGC-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000157113814 133481450 /nfs/dbraw/zinc/48/14/50/133481450.db2.gz YRICCXYUSZTIEQ-RWMBFGLXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000335726372 136347281 /nfs/dbraw/zinc/34/72/81/136347281.db2.gz YYKQNISOBVIJAM-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCN1CCOCC1 ZINC000349490573 136352174 /nfs/dbraw/zinc/35/21/74/136352174.db2.gz BZMFFXIQTDKTAP-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@@H]1C[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H](C)S1 ZINC000335710632 136337590 /nfs/dbraw/zinc/33/75/90/136337590.db2.gz WTIUWWHJAIHXDM-PHIMTYICSA-N 1 0 249.383 2.223 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000335717648 136339813 /nfs/dbraw/zinc/33/98/13/136339813.db2.gz QZBOSZUCDLIAQN-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CC[C@H]([NH+](C)C)C1 ZINC000165478373 343435939 /nfs/dbraw/zinc/43/59/39/343435939.db2.gz PVXZXEBGFRCSDC-HNNXBMFYSA-N 1 0 243.354 2.003 20 30 BEEDRO C[C@]1([NH2+]CCCCC#N)CCO[C@H]1C1CC1 ZINC000374631726 136354047 /nfs/dbraw/zinc/35/40/47/136354047.db2.gz OOMWZHRGAYJHDG-STQMWFEESA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(SC)CC1 ZINC000602919276 349809442 /nfs/dbraw/zinc/80/94/42/349809442.db2.gz DDXFIXGKOGRKIZ-LLVKDONJSA-N 1 0 229.389 2.141 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000159777831 323047576 /nfs/dbraw/zinc/04/75/76/323047576.db2.gz PZVIRYXCODXJHW-JTQLQIEISA-N 1 0 234.299 2.198 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1 ZINC000289914536 136375466 /nfs/dbraw/zinc/37/54/66/136375466.db2.gz RXJYCKZTSQZZLI-WCFLWFBJSA-N 1 0 209.333 2.115 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000289847581 136375565 /nfs/dbraw/zinc/37/55/65/136375565.db2.gz NQWJVMKUSQFDGF-HOSYDEDBSA-N 1 0 221.300 2.040 20 30 BEEDRO CC[C@]1([NH2+]Cc2ccccc2C#N)CCOC1 ZINC000616487735 343473017 /nfs/dbraw/zinc/47/30/17/343473017.db2.gz VUWDURJLLHKERI-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000165510129 343531996 /nfs/dbraw/zinc/53/19/96/343531996.db2.gz WOTYVRMJFLIOOM-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000083854189 343502198 /nfs/dbraw/zinc/50/21/98/343502198.db2.gz OKVBOMJBBGKNDD-UHFFFAOYSA-N 1 0 204.273 2.372 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1nccn1CC ZINC000379965420 365768028 /nfs/dbraw/zinc/76/80/28/365768028.db2.gz YQAAJAQLVHNONT-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000019875631 166190310 /nfs/dbraw/zinc/19/03/10/166190310.db2.gz OOIVXTXTYVGSCO-NSHDSACASA-N 1 0 203.285 2.287 20 30 BEEDRO CC[C@H](O)C[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000577038223 365781347 /nfs/dbraw/zinc/78/13/47/365781347.db2.gz JDOAQZLZAJBLKJ-DZGCQCFKSA-N 1 0 244.338 2.296 20 30 BEEDRO CCC1([NH+](C)C)CCN(CC2(C#N)CC2)CC1 ZINC000602966446 349827030 /nfs/dbraw/zinc/82/70/30/349827030.db2.gz FYILUSQZYUHIEP-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000618195842 343631170 /nfs/dbraw/zinc/63/11/70/343631170.db2.gz ADTBEUKNYNRUJK-UHFFFAOYSA-N 1 0 230.311 2.159 20 30 BEEDRO N#CC1(C[NH+]2CCC(CCF)CC2)CC1 ZINC000602948363 349819664 /nfs/dbraw/zinc/81/96/64/349819664.db2.gz QYADADBPUNVZSX-UHFFFAOYSA-N 1 0 210.296 2.362 20 30 BEEDRO C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[NH2+]1 ZINC000083814873 343673652 /nfs/dbraw/zinc/67/36/52/343673652.db2.gz PSQUJOBBCIGUAP-SECBINFHSA-N 1 0 235.718 2.010 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCCOCC1 ZINC000087608702 343654671 /nfs/dbraw/zinc/65/46/71/343654671.db2.gz XEYQJWWTGSTRIC-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC1([NH+]2CCCC2)CCN(CC2(C#N)CC2)CC1 ZINC000602952482 349828809 /nfs/dbraw/zinc/82/88/09/349828809.db2.gz VNCVMVWFZPKHGW-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO CCCN(Cc1ccccc1C#N)[C@@H]1CC[NH2+]C1 ZINC000071330735 343658251 /nfs/dbraw/zinc/65/82/51/343658251.db2.gz AULXFKPOCBUQNR-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO CC(C)CC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981348 349830560 /nfs/dbraw/zinc/83/05/60/349830560.db2.gz BRRXZDXMZDIUOJ-MELADBBJSA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)CC[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602981349 349831110 /nfs/dbraw/zinc/83/11/10/349831110.db2.gz BRRXZDXMZDIUOJ-RDBSUJKOSA-N 1 0 238.375 2.408 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000057621239 343691251 /nfs/dbraw/zinc/69/12/51/343691251.db2.gz ZABNFWKOBCKOTO-UHFFFAOYSA-N 1 0 203.260 2.423 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccsc1C ZINC000339338062 343697292 /nfs/dbraw/zinc/69/72/92/343697292.db2.gz JULJQSFUTBBTDE-LLVKDONJSA-N 1 0 225.357 2.331 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000305724479 343702482 /nfs/dbraw/zinc/70/24/82/343702482.db2.gz CSHLGURKWHYKHG-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)CC(F)F ZINC000624326554 343703222 /nfs/dbraw/zinc/70/32/22/343703222.db2.gz OOKJWYWZQUWOLM-SNVBAGLBSA-N 1 0 220.307 2.128 20 30 BEEDRO CN(CCC[NH+]1CCCCC1)[C@@H]1CCC[C@H]1C#N ZINC000602979582 349844225 /nfs/dbraw/zinc/84/42/25/349844225.db2.gz GCGRQPMOHSDNOW-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CCC[C@@H]1C#N ZINC000602979313 349844523 /nfs/dbraw/zinc/84/45/23/349844523.db2.gz BVQLFQQUWJQWLG-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H]1CCSC1 ZINC000222074343 343715864 /nfs/dbraw/zinc/71/58/64/343715864.db2.gz XLZICPJLINHLPC-ZDUSSCGKSA-N 1 0 247.363 2.294 20 30 BEEDRO CC[NH+](CC)CCCN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602980556 349846635 /nfs/dbraw/zinc/84/66/35/349846635.db2.gz RGICQDNUFRFGPY-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1nccc(C)c1C#N ZINC000135073744 343732629 /nfs/dbraw/zinc/73/26/29/343732629.db2.gz BLSOFUFBMHVQAJ-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000584128955 343764225 /nfs/dbraw/zinc/76/42/25/343764225.db2.gz KWDIQJDGUPXAGG-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000577059567 365798061 /nfs/dbraw/zinc/79/80/61/365798061.db2.gz XUJNBPYJFHYUIW-HNNXBMFYSA-N 1 0 246.354 2.464 20 30 BEEDRO N#CC1(CC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CCCCC1 ZINC000591037631 537813002 /nfs/dbraw/zinc/81/30/02/537813002.db2.gz INRWTQMZLVONKT-WDNDVIMCSA-N 1 0 248.370 2.021 20 30 BEEDRO N#CCN(C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000393295925 343792961 /nfs/dbraw/zinc/79/29/61/343792961.db2.gz UULASHAFLVSSPI-JSGCOSHPSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000625700687 344040179 /nfs/dbraw/zinc/04/01/79/344040179.db2.gz FIWMEGSGMNQFEN-AAEUAGOBSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000625699595 344038647 /nfs/dbraw/zinc/03/86/47/344038647.db2.gz ATTJIWFCLJOTAQ-GFCCVEGCSA-N 1 0 246.358 2.319 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C1 ZINC000625700204 344039702 /nfs/dbraw/zinc/03/97/02/344039702.db2.gz JRLAZFHTIBWNGA-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C(C)=O)no2)C1 ZINC000625700650 344040370 /nfs/dbraw/zinc/04/03/70/344040370.db2.gz DNNAOOMFIRYLJW-NSHDSACASA-N 1 0 234.299 2.275 20 30 BEEDRO C=CC[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC000625700803 344040600 /nfs/dbraw/zinc/04/06/00/344040600.db2.gz MISQGOVHTGSZBX-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)COc1ccccc1C ZINC000381042335 343881122 /nfs/dbraw/zinc/88/11/22/343881122.db2.gz NIORSBKRMUUVGA-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](OCC)C1CC1 ZINC000625460494 343863529 /nfs/dbraw/zinc/86/35/29/343863529.db2.gz OSTMENLQCFLNJQ-RDBSUJKOSA-N 1 0 239.359 2.125 20 30 BEEDRO CC[C@H](c1ccncc1)[N@H+](C)CC#CCOC ZINC000678315448 488240305 /nfs/dbraw/zinc/24/03/05/488240305.db2.gz RCPHHCGWWICENW-CQSZACIVSA-N 1 0 232.327 2.114 20 30 BEEDRO Cc1nnsc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000293778026 343938100 /nfs/dbraw/zinc/93/81/00/343938100.db2.gz TUNDLPWUXAJNSP-UWVGGRQHSA-N 1 0 236.344 2.019 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@H](O)C(F)(F)F ZINC000634725164 343946229 /nfs/dbraw/zinc/94/62/29/343946229.db2.gz JAUOJTDXGVIZFM-VIFPVBQESA-N 1 0 239.281 2.492 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]CC1(O)CCC1 ZINC000634725296 343946240 /nfs/dbraw/zinc/94/62/40/343946240.db2.gz NLXWMYYXTQBMKJ-UHFFFAOYSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000634725357 343946640 /nfs/dbraw/zinc/94/66/40/343946640.db2.gz PQMQHVRXJZGAHS-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000313016021 343975038 /nfs/dbraw/zinc/97/50/38/343975038.db2.gz XNYYLVVRDTWDRX-CYBMUJFWSA-N 1 0 230.311 2.073 20 30 BEEDRO CC[NH+]1CCC(Nc2nccc(C)c2C#N)CC1 ZINC000135188850 343964937 /nfs/dbraw/zinc/96/49/37/343964937.db2.gz JHSBRIYNSOQGBH-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C(C)C[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000335881847 344046588 /nfs/dbraw/zinc/04/65/88/344046588.db2.gz TZQSXCZUKZVDDJ-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000625703400 344048351 /nfs/dbraw/zinc/04/83/51/344048351.db2.gz KSDVUZOQNVFHQF-CQSZACIVSA-N 1 0 233.359 2.480 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348104949 537838611 /nfs/dbraw/zinc/83/86/11/537838611.db2.gz FJIGHEKYINQZIN-CABCVRRESA-N 1 0 234.387 2.415 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2nnc3n2CCCC3)C1 ZINC000625703342 344048405 /nfs/dbraw/zinc/04/84/05/344048405.db2.gz SJYCWSHUMITTNX-GFCCVEGCSA-N 1 0 246.358 2.012 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nn2)C1 ZINC000625703895 344048905 /nfs/dbraw/zinc/04/89/05/344048905.db2.gz VMJUGDMPAOXOHE-GFCCVEGCSA-N 1 0 248.374 2.431 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC000625701856 344052405 /nfs/dbraw/zinc/05/24/05/344052405.db2.gz LTNIMGCEYJOOIQ-SNVBAGLBSA-N 1 0 223.345 2.245 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000625701968 344052508 /nfs/dbraw/zinc/05/25/08/344052508.db2.gz VHXMSGKALAIDFS-GFCCVEGCSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCN2CCCCC2)C1 ZINC000625701921 344052899 /nfs/dbraw/zinc/05/28/99/344052899.db2.gz UNBNARAHJHPQNJ-CQSZACIVSA-N 1 0 222.376 2.370 20 30 BEEDRO C=CCC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625831365 344083265 /nfs/dbraw/zinc/08/32/65/344083265.db2.gz BXHGBKOIIWYJKK-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C#CCSCC[NH2+]Cc1sccc1OC ZINC000166708977 166202650 /nfs/dbraw/zinc/20/26/50/166202650.db2.gz PRXOHHCZHHWVNX-UHFFFAOYSA-N 1 0 241.381 2.213 20 30 BEEDRO C=CCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000131357765 344231410 /nfs/dbraw/zinc/23/14/10/344231410.db2.gz NPOHDSZGIAIQEK-UHFFFAOYSA-N 1 0 204.273 2.050 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCC(=O)OC ZINC000150893602 187289758 /nfs/dbraw/zinc/28/97/58/187289758.db2.gz LEZCNXHPAJRVOR-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000234839581 344273509 /nfs/dbraw/zinc/27/35/09/344273509.db2.gz QURMJTMHVXXSBA-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO CNC(NC[C@@]1(C)CCCc2ccccc21)=[NH+]C ZINC000091517404 344281829 /nfs/dbraw/zinc/28/18/29/344281829.db2.gz PQYOIRVCHUQJND-OAHLLOKOSA-N 1 0 245.370 2.075 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000600734474 344364551 /nfs/dbraw/zinc/36/45/51/344364551.db2.gz CGNRTJAURBDSQK-UONOGXRCSA-N 1 0 248.370 2.209 20 30 BEEDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600734399 344364571 /nfs/dbraw/zinc/36/45/71/344364571.db2.gz JJWVCEOHYRQUNJ-YPMHNXCESA-N 1 0 236.359 2.209 20 30 BEEDRO CCC(C)(C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600732464 344364650 /nfs/dbraw/zinc/36/46/50/344364650.db2.gz AQZWAGUTAYVDAC-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CC)COC)cc1 ZINC000290482440 344313234 /nfs/dbraw/zinc/31/32/34/344313234.db2.gz VJGCLNDTHMNSON-AWEZNQCLSA-N 1 0 217.312 2.183 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600732055 344364781 /nfs/dbraw/zinc/36/47/81/344364781.db2.gz PRDZXEVDJGWNEZ-QWHCGFSZSA-N 1 0 236.359 2.376 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600735481 344364972 /nfs/dbraw/zinc/36/49/72/344364972.db2.gz JRHIGGFZXOLESF-UPJWGTAASA-N 1 0 236.359 2.065 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600735634 344364988 /nfs/dbraw/zinc/36/49/88/344364988.db2.gz MUXURFREJJQGAR-UPJWGTAASA-N 1 0 236.359 2.067 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cccc(CO)c1 ZINC000133644273 344321392 /nfs/dbraw/zinc/32/13/92/344321392.db2.gz DQFANHPRVUUOOI-GHMZBOCLSA-N 1 0 205.301 2.404 20 30 BEEDRO CO[C@@H](C[NH+]1CCC(CCC#N)CC1)C1CC1 ZINC000400123230 344324743 /nfs/dbraw/zinc/32/47/43/344324743.db2.gz MTNXBDPGJNWDPT-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C[NH2+]Cc1cc[nH]n1)c1ccccc1 ZINC000309394780 347046144 /nfs/dbraw/zinc/04/61/44/347046144.db2.gz VCPSMASCKAJDEF-UHFFFAOYSA-N 1 0 213.284 2.213 20 30 BEEDRO CC(C)CCOCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309399960 347047121 /nfs/dbraw/zinc/04/71/21/347047121.db2.gz VZXOBYDHJRAKAW-STQMWFEESA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC2=CCCCC2)CC1 ZINC000600738799 344366668 /nfs/dbraw/zinc/36/66/68/344366668.db2.gz LLJAIMVEYLIGJK-CYBMUJFWSA-N 1 0 234.343 2.131 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000600745064 344367891 /nfs/dbraw/zinc/36/78/91/344367891.db2.gz OPBRLZGSKQTATQ-LBPRGKRZSA-N 1 0 238.375 2.479 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000600745053 344367919 /nfs/dbraw/zinc/36/79/19/344367919.db2.gz OPBRLZGSKQTATQ-GFCCVEGCSA-N 1 0 238.375 2.479 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C2CCCCCC2)CC1 ZINC000600713165 344361680 /nfs/dbraw/zinc/36/16/80/344361680.db2.gz GMJJLQFEWJAPGU-ZDUSSCGKSA-N 1 0 236.359 2.354 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CCC2CCCC2)CC1 ZINC000600716686 344362202 /nfs/dbraw/zinc/36/22/02/344362202.db2.gz FUXMHVAYVSPRGM-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO CC(C)(C)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600715245 344362295 /nfs/dbraw/zinc/36/22/95/344362295.db2.gz ASXZQLRTCDIQLW-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC(C2CC2)C2CC2)CC1 ZINC000600725786 344363487 /nfs/dbraw/zinc/36/34/87/344363487.db2.gz DMFNGQKBPJZJRH-CYBMUJFWSA-N 1 0 248.370 2.067 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CCC2=CCCC2)CC1 ZINC000600727965 344364193 /nfs/dbraw/zinc/36/41/93/344364193.db2.gz NVTXCYMZOIOEEN-ZDUSSCGKSA-N 1 0 234.343 2.131 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600750952 344368331 /nfs/dbraw/zinc/36/83/31/344368331.db2.gz YPAFHAACUNMERO-CYBMUJFWSA-N 1 0 236.359 2.377 20 30 BEEDRO C[C@]1(C[NH2+]C[C@H](O)CC2(C#N)CC2)C[C@H]2C[C@H]2C1 ZINC000600754593 344368686 /nfs/dbraw/zinc/36/86/86/344368686.db2.gz FXFLWQPUJDMVAW-RQJABVFESA-N 1 0 248.370 2.067 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCC23CC3)CC1 ZINC000600763098 344369772 /nfs/dbraw/zinc/36/97/72/344369772.db2.gz ZXMLBXISHYUPBZ-CHWSQXEVSA-N 1 0 248.370 2.211 20 30 BEEDRO N#CC1(C[NH2+]CCC2CCOCC2)CCC1 ZINC000258833089 344505478 /nfs/dbraw/zinc/50/54/78/344505478.db2.gz DHOCSBCMQOKLSR-UHFFFAOYSA-N 1 0 222.332 2.087 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccco2)o1 ZINC000135480720 344458868 /nfs/dbraw/zinc/45/88/68/344458868.db2.gz ZURPCZSJRZSDPD-UHFFFAOYSA-N 1 0 216.240 2.077 20 30 BEEDRO CC(C)(C)OCC[NH2+]Cc1ccc(C#N)o1 ZINC000381119055 344478333 /nfs/dbraw/zinc/47/83/33/344478333.db2.gz ICRWVZGHWBVMKL-UHFFFAOYSA-N 1 0 222.288 2.056 20 30 BEEDRO CSCC[NH2+]Cc1ccc(C#N)s1 ZINC000135495235 344486970 /nfs/dbraw/zinc/48/69/70/344486970.db2.gz QDUFLLOVSBCNKN-UHFFFAOYSA-N 1 0 212.343 2.072 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)(C)C ZINC000381464499 344508145 /nfs/dbraw/zinc/50/81/45/344508145.db2.gz KUPIUQAPLKNRGK-SNVBAGLBSA-N 1 0 217.316 2.477 20 30 BEEDRO CC(C)CC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068766021 344493500 /nfs/dbraw/zinc/49/35/00/344493500.db2.gz AKTQTFLTYOIHCX-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000381349566 344496947 /nfs/dbraw/zinc/49/69/47/344496947.db2.gz ARVVUUUUPXTCFA-VIFPVBQESA-N 1 0 218.304 2.063 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C1CCOCC1 ZINC000381471274 344510433 /nfs/dbraw/zinc/51/04/33/344510433.db2.gz MQOYXCBYEIRGNB-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCOC1 ZINC000310041004 344519925 /nfs/dbraw/zinc/51/99/25/344519925.db2.gz YCEFHZJSJSAMPX-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC1([NH2+]CC(=O)NCCC)CCCCC1 ZINC000625934362 344574109 /nfs/dbraw/zinc/57/41/09/344574109.db2.gz LHIJRJSQRFTHPG-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC1([NH2+]CCc2cn[nH]n2)CCCCC1 ZINC000625934169 344574114 /nfs/dbraw/zinc/57/41/14/344574114.db2.gz CVXKDCPURCOHDK-UHFFFAOYSA-N 1 0 234.347 2.216 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000387514230 344554270 /nfs/dbraw/zinc/55/42/70/344554270.db2.gz ZCIBLFFNZKMHQE-VXGBXAGGSA-N 1 0 208.349 2.167 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1nncn1CC ZINC000678590372 488267434 /nfs/dbraw/zinc/26/74/34/488267434.db2.gz VBANMXWQRKRDML-VXGBXAGGSA-N 1 0 236.363 2.031 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000119841126 344616354 /nfs/dbraw/zinc/61/63/54/344616354.db2.gz XVOLTUDJXSJELS-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H](C)C[NH2+]C ZINC000237152881 344649698 /nfs/dbraw/zinc/64/96/98/344649698.db2.gz OTVQKDOHOOMGGO-CYBMUJFWSA-N 1 0 246.354 2.057 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@@H]1CCCCO1 ZINC000049579440 344654366 /nfs/dbraw/zinc/65/43/66/344654366.db2.gz HFMAXDFWURPIKY-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO N#CCC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000181573355 347064056 /nfs/dbraw/zinc/06/40/56/347064056.db2.gz DOPGHPNBGMJFQT-KGLIPLIRSA-N 1 0 230.311 2.410 20 30 BEEDRO N#CCC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000181573387 347064126 /nfs/dbraw/zinc/06/41/26/347064126.db2.gz DOPGHPNBGMJFQT-KBPBESRZSA-N 1 0 230.311 2.410 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000309450080 347064157 /nfs/dbraw/zinc/06/41/57/347064157.db2.gz MIAQIGCGUHRQHN-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625975958 344638381 /nfs/dbraw/zinc/63/83/81/344638381.db2.gz GTMXOJQUWBHONE-WJTVCTBASA-N 1 0 209.333 2.190 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625975956 344638593 /nfs/dbraw/zinc/63/85/93/344638593.db2.gz GTMXOJQUWBHONE-QWQWKMKNSA-N 1 0 209.333 2.190 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000375393199 344641331 /nfs/dbraw/zinc/64/13/31/344641331.db2.gz NAJZNQLWHDNUNG-HNNXBMFYSA-N 1 0 227.307 2.141 20 30 BEEDRO C=CCOc1cccc(NC(=O)CCC[NH2+]C)c1 ZINC000237227556 344683163 /nfs/dbraw/zinc/68/31/63/344683163.db2.gz PZENRAPXAGGIEH-UHFFFAOYSA-N 1 0 248.326 2.190 20 30 BEEDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000260172428 344716009 /nfs/dbraw/zinc/71/60/09/344716009.db2.gz TZQZNBULYPNGJV-CYBMUJFWSA-N 1 0 246.358 2.163 20 30 BEEDRO CC[C@H](CNc1ccc(C#N)cn1)[NH+]1CCCC1 ZINC000075677174 344784624 /nfs/dbraw/zinc/78/46/24/344784624.db2.gz JXHMJZLZCWUFOD-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO COCC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309488310 347074536 /nfs/dbraw/zinc/07/45/36/347074536.db2.gz WEXLKCCLVJADHM-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000075898102 344787616 /nfs/dbraw/zinc/78/76/16/344787616.db2.gz OMMNYGMMOPLKKH-ZDUSSCGKSA-N 1 0 205.301 2.228 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@@H](C2CCCCC2)C1 ZINC000363806217 347075843 /nfs/dbraw/zinc/07/58/43/347075843.db2.gz PFFDKIBXFBCNHS-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO CNC(NCCCc1ccc(Cl)cc1)=[NH+]C ZINC000076105623 344794467 /nfs/dbraw/zinc/79/44/67/344794467.db2.gz DOEAODBINUETPE-UHFFFAOYSA-N 1 0 239.750 2.067 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)C1CC1 ZINC000037681335 187292870 /nfs/dbraw/zinc/29/28/70/187292870.db2.gz KGOMCSZMQUDPQV-SSDOTTSWSA-N 1 0 204.111 2.283 20 30 BEEDRO N#Cc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccn1 ZINC000135616516 344804113 /nfs/dbraw/zinc/80/41/13/344804113.db2.gz CPFJTQBWYVMHOW-BETUJISGSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@H]1CC(C)(C)C[C@](CO)([NH2+]CCC#N)C1 ZINC000408466492 344825549 /nfs/dbraw/zinc/82/55/49/344825549.db2.gz LMLXPZWKPXKUKT-DGCLKSJQSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC1CC[NH+](CCOCC2CC2)CC1 ZINC000119680818 344859226 /nfs/dbraw/zinc/85/92/26/344859226.db2.gz IOKAZHZMSXXSTK-UHFFFAOYSA-N 1 0 209.333 2.311 20 30 BEEDRO C[C@@H](c1ccccn1)[N@H+](C)CCCC#N ZINC000119786385 344864522 /nfs/dbraw/zinc/86/45/22/344864522.db2.gz JTVZDCNKLNLQKR-NSHDSACASA-N 1 0 203.289 2.378 20 30 BEEDRO C[C@H](c1ccccn1)[N@H+](C)CCCC#N ZINC000119786538 344864955 /nfs/dbraw/zinc/86/49/55/344864955.db2.gz JTVZDCNKLNLQKR-LLVKDONJSA-N 1 0 203.289 2.378 20 30 BEEDRO C[N@H+](CCCSCC#N)CCc1ccncc1 ZINC000121625694 344930955 /nfs/dbraw/zinc/93/09/55/344930955.db2.gz ROWBXUDCQLGYID-UHFFFAOYSA-N 1 0 249.383 2.203 20 30 BEEDRO N#CCCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000153770297 344971753 /nfs/dbraw/zinc/97/17/53/344971753.db2.gz HPPAPMATWMISQR-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](O)C1 ZINC000227371140 534981054 /nfs/dbraw/zinc/98/10/54/534981054.db2.gz KZRSVKPBVLCWDV-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000083642194 534982889 /nfs/dbraw/zinc/98/28/89/534982889.db2.gz IYZCAURDYYIKBZ-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO CCCNC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123684187 345010609 /nfs/dbraw/zinc/01/06/09/345010609.db2.gz BUSVPGAZQAMQPX-UHFFFAOYSA-N 1 0 240.376 2.081 20 30 BEEDRO CO[C@H](C)C[N@H+](CCCSCC#N)C(C)C ZINC000336680448 133535862 /nfs/dbraw/zinc/53/58/62/133535862.db2.gz QHDCEFXOWAZYMS-GFCCVEGCSA-N 1 0 244.404 2.379 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@@H](C)[NH3+] ZINC000238422937 345046394 /nfs/dbraw/zinc/04/63/94/345046394.db2.gz MDMJBVYPXBXNON-GFCCVEGCSA-N 1 0 204.317 2.022 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000153376636 187300013 /nfs/dbraw/zinc/30/00/13/187300013.db2.gz OHFKFJFFKWBMFS-UHFFFAOYSA-N 1 0 216.284 2.233 20 30 BEEDRO C=CCC[N@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000123741001 345014754 /nfs/dbraw/zinc/01/47/54/345014754.db2.gz LKBPIWYSEXTYNX-GFCCVEGCSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000448975126 201781636 /nfs/dbraw/zinc/78/16/36/201781636.db2.gz NIMSOHOMARBDKJ-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2c1OCO2 ZINC000049578493 192083640 /nfs/dbraw/zinc/08/36/40/192083640.db2.gz MKCSBXNITMSDMN-UHFFFAOYSA-N 1 0 232.283 2.199 20 30 BEEDRO N#CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000124312276 345036841 /nfs/dbraw/zinc/03/68/41/345036841.db2.gz CYSPZRJDMBHDHN-AWEZNQCLSA-N 1 0 214.312 2.465 20 30 BEEDRO CC1(C)C[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000044370826 345043250 /nfs/dbraw/zinc/04/32/50/345043250.db2.gz DQIWHYNSHZDEKU-LBPRGKRZSA-N 1 0 200.285 2.446 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000166479217 166211512 /nfs/dbraw/zinc/21/15/12/166211512.db2.gz YVIAZFYCHTUSQZ-LLVKDONJSA-N 1 0 203.285 2.115 20 30 BEEDRO C=C[C@H](C(=O)OC)N(C)C[C@H]1CC=CCC1 ZINC000402573079 345078869 /nfs/dbraw/zinc/07/88/69/345078869.db2.gz FNJGSLCWWJDWDH-NWDGAFQWSA-N 1 0 223.316 2.002 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336375793 534986118 /nfs/dbraw/zinc/98/61/18/534986118.db2.gz GYNLJFPZUASKLB-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000336375796 534986220 /nfs/dbraw/zinc/98/62/20/534986220.db2.gz GYNLJFPZUASKLB-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000303797534 534987573 /nfs/dbraw/zinc/98/75/73/534987573.db2.gz MTUWYUGBHXMDCL-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO CC[N@H+](C)Cc1ccc(N(C)CCC#N)cc1 ZINC000126300012 345114293 /nfs/dbraw/zinc/11/42/93/345114293.db2.gz OJPLACMNONNUOP-UHFFFAOYSA-N 1 0 231.343 2.488 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)nn(CC)c1C)C(C)C ZINC000289513998 345184295 /nfs/dbraw/zinc/18/42/95/345184295.db2.gz OXAUEMDNTXGLTL-CQSZACIVSA-N 1 0 233.359 2.267 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC000248183471 345354835 /nfs/dbraw/zinc/35/48/35/345354835.db2.gz FZZMVGSSEWRUKS-CQSZACIVSA-N 1 0 215.296 2.465 20 30 BEEDRO Cc1ccccc1CO[NH+]=C(N)C(C)C ZINC000133659571 345382434 /nfs/dbraw/zinc/38/24/34/345382434.db2.gz QVDRQEYRSNFFPV-UHFFFAOYSA-N 1 0 206.289 2.440 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000158439999 345334247 /nfs/dbraw/zinc/33/42/47/345334247.db2.gz YRTLJBYTWBIENK-UHFFFAOYSA-N 1 0 248.282 2.106 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+]2CCCC3(CC3)CC2)C1=O ZINC000626115567 345335362 /nfs/dbraw/zinc/33/53/62/345335362.db2.gz XTYZVDFQYHFLJB-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000159186948 345408948 /nfs/dbraw/zinc/40/89/48/345408948.db2.gz HGCAFOJAZCOPDQ-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000070148700 345421754 /nfs/dbraw/zinc/42/17/54/345421754.db2.gz SUJNDUOTGLHTPP-HNNXBMFYSA-N 1 0 243.354 2.262 20 30 BEEDRO CCC[C@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449140445 201819687 /nfs/dbraw/zinc/81/96/87/201819687.db2.gz BWKCZGKULKZDBX-CPCZMJQVSA-N 1 0 224.348 2.209 20 30 BEEDRO Cc1nccn1CCC[N@H+](C)CCCCC#N ZINC000136299029 345500815 /nfs/dbraw/zinc/50/08/15/345500815.db2.gz RFWSNQJJUSUXKX-UHFFFAOYSA-N 1 0 234.347 2.207 20 30 BEEDRO CCN(CCC#N)CCC(=O)Nc1ccccc1 ZINC000081039835 345458875 /nfs/dbraw/zinc/45/88/75/345458875.db2.gz FUBWLGCJQDXJQS-UHFFFAOYSA-N 1 0 245.326 2.251 20 30 BEEDRO C[C@H]1CC[N@H+](CCCCC#N)C[C@@H]1n1ccnc1 ZINC000136088405 345475459 /nfs/dbraw/zinc/47/54/59/345475459.db2.gz YLYOMJWMZUGPNS-KBPBESRZSA-N 1 0 246.358 2.460 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000090883575 345577516 /nfs/dbraw/zinc/57/75/16/345577516.db2.gz ZEUSTMGJIOAOBH-LLVKDONJSA-N 1 0 249.358 2.337 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])c1cn([C@@H]2CC[C@@H](C#N)C2)nn1 ZINC000600973373 345547347 /nfs/dbraw/zinc/54/73/47/345547347.db2.gz NFKVGBPSGHHDDR-CKYFFXLPSA-N 1 0 247.346 2.189 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCn1cnnc1C1CC1 ZINC000090033349 345562823 /nfs/dbraw/zinc/56/28/23/345562823.db2.gz DJVFGEQWDIHLED-ZDUSSCGKSA-N 1 0 248.374 2.490 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000091507818 345595623 /nfs/dbraw/zinc/59/56/23/345595623.db2.gz VSFOGCRSMHNFIB-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000091589145 345599972 /nfs/dbraw/zinc/59/99/72/345599972.db2.gz GNOACUMBVMISPK-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000091589359 345600179 /nfs/dbraw/zinc/60/01/79/345600179.db2.gz IUTMWTVNFSEPOE-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000365848583 534998860 /nfs/dbraw/zinc/99/88/60/534998860.db2.gz ROKVXQFTLMHHTB-ZDUSSCGKSA-N 1 0 246.358 2.460 20 30 BEEDRO C[N@H+](C[C@H]1CCC[C@@H]1O)CC(C)(C)CCC#N ZINC000091900149 345611616 /nfs/dbraw/zinc/61/16/16/345611616.db2.gz GOPMRNRNOCJBGV-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000093222166 345659493 /nfs/dbraw/zinc/65/94/93/345659493.db2.gz NRRMQBMFCMVVQU-HNNXBMFYSA-N 1 0 246.354 2.373 20 30 BEEDRO C[NH+](C)CCCNc1snc(Cl)c1C#N ZINC000092581646 345639862 /nfs/dbraw/zinc/63/98/62/345639862.db2.gz SKMVGEHAYODPRJ-UHFFFAOYSA-N 1 0 244.751 2.032 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000092763101 345642462 /nfs/dbraw/zinc/64/24/62/345642462.db2.gz OBMLPOYEMHAYFG-CQSZACIVSA-N 1 0 247.338 2.066 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641726998 362647054 /nfs/dbraw/zinc/64/70/54/362647054.db2.gz HMVWPKRYLJOWDX-VIFPVBQESA-N 1 0 231.299 2.323 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)CC[C@H](C)O ZINC000093481437 345672352 /nfs/dbraw/zinc/67/23/52/345672352.db2.gz FCDVUSLQMBZDHP-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO CN(CCOCC1CC1)[C@@H]1CCC[C@H]1C#N ZINC000249969539 362639921 /nfs/dbraw/zinc/63/99/21/362639921.db2.gz HJZQFNIHSINOKS-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)OCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449236976 201842856 /nfs/dbraw/zinc/84/28/56/201842856.db2.gz MIIABWUATDBYTA-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCCSC1 ZINC000163977894 345781800 /nfs/dbraw/zinc/78/18/00/345781800.db2.gz VNMRXCRNTCTEPH-MRVPVSSYSA-N 1 0 236.178 2.380 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@H]1CC=CCC1 ZINC000320421928 323096300 /nfs/dbraw/zinc/09/63/00/323096300.db2.gz FZXHZEMNXYNBJV-QWHCGFSZSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCCn1ccnn1 ZINC000449239487 201845852 /nfs/dbraw/zinc/84/58/52/201845852.db2.gz JZOALUFSGMQWKW-ZDUSSCGKSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)NCC ZINC000449249721 201848221 /nfs/dbraw/zinc/84/82/21/201848221.db2.gz JWFKMHPKURLQCC-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO CCc1cc(NCCCC#N)nc(C)n1 ZINC000273280711 345877136 /nfs/dbraw/zinc/87/71/36/345877136.db2.gz DFJSLLRTRSJPOF-UHFFFAOYSA-N 1 0 204.277 2.063 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000449290316 201861228 /nfs/dbraw/zinc/86/12/28/201861228.db2.gz FPHHQLBGOMFBCP-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000400934301 345923497 /nfs/dbraw/zinc/92/34/97/345923497.db2.gz PVLSFBNFQYIFIJ-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCC[C@H]1CCOC1 ZINC000400949164 345932004 /nfs/dbraw/zinc/93/20/04/345932004.db2.gz WQWGHRONNSDZAM-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC1=CC[C@H]([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000585725139 345981648 /nfs/dbraw/zinc/98/16/48/345981648.db2.gz HPARTBFQESEPPZ-ZDUSSCGKSA-N 1 0 233.359 2.063 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000585727215 345982425 /nfs/dbraw/zinc/98/24/25/345982425.db2.gz PZAIZDGAEKWPNM-FRRDWIJNSA-N 1 0 224.348 2.019 20 30 BEEDRO CCC[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000585766743 345989309 /nfs/dbraw/zinc/98/93/09/345989309.db2.gz QHWNIZUKZKXUMG-NSHDSACASA-N 1 0 242.326 2.484 20 30 BEEDRO CC[NH+](CC)CCS[C@@H](C#N)C1CC1 ZINC000601075747 346013875 /nfs/dbraw/zinc/01/38/75/346013875.db2.gz AXVPIGYBFWXAJS-NSHDSACASA-N 1 0 212.362 2.364 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1ccccn1)C(C)C ZINC000289610181 346014251 /nfs/dbraw/zinc/01/42/51/346014251.db2.gz VTBKZOCUMIIUFD-NEPJUHHUSA-N 1 0 202.301 2.390 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635770078 346059498 /nfs/dbraw/zinc/05/94/98/346059498.db2.gz JTZLVXRAUUXNIK-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCN(C)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635839531 346083045 /nfs/dbraw/zinc/08/30/45/346083045.db2.gz CIWJYFVRMOHDMF-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635959307 346132925 /nfs/dbraw/zinc/13/29/25/346132925.db2.gz FSLWRSJGDCPUOA-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(OC)cc1 ZINC000320349771 323107271 /nfs/dbraw/zinc/10/72/71/323107271.db2.gz CITVXJVHLFTZTO-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO CC(C)(CO)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449407227 201907217 /nfs/dbraw/zinc/90/72/17/201907217.db2.gz GBSWDLKQVJGJLO-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000601131610 346205500 /nfs/dbraw/zinc/20/55/00/346205500.db2.gz NNQHYZKQPDYPFT-UHFFFAOYSA-N 1 0 238.356 2.186 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc(CCOC)s1 ZINC000631153807 346234357 /nfs/dbraw/zinc/23/43/57/346234357.db2.gz JWLGNEOATSUHTH-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000574903608 346218549 /nfs/dbraw/zinc/21/85/49/346218549.db2.gz VSINDZRXMAYOSB-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000161933070 487527315 /nfs/dbraw/zinc/52/73/15/487527315.db2.gz QYRXREQZGMGLIV-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000336888719 166233296 /nfs/dbraw/zinc/23/32/96/166233296.db2.gz FNTUBSXOEJQJDM-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445058 201927040 /nfs/dbraw/zinc/92/70/40/201927040.db2.gz FUKZVBZNAJOYGK-AVGNSLFASA-N 1 0 224.348 2.472 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1c(F)cccc1CC ZINC000641766922 362699879 /nfs/dbraw/zinc/69/98/79/362699879.db2.gz FAZLUPGSZQKSEL-ZDUSSCGKSA-N 1 0 249.329 2.252 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000641767126 362700571 /nfs/dbraw/zinc/70/05/71/362700571.db2.gz HHVXQORNIRCEIU-CQSZACIVSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000641767221 362701276 /nfs/dbraw/zinc/70/12/76/362701276.db2.gz HOGAQZLBVQRCNT-XQQFMLRXSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]CC(C(C)C)C(C)C ZINC000641767236 362701306 /nfs/dbraw/zinc/70/13/06/362701306.db2.gz HSNPMRMAYBPFHG-ZDUSSCGKSA-N 1 0 225.376 2.279 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1C ZINC000289785047 346363485 /nfs/dbraw/zinc/36/34/85/346363485.db2.gz JSULDBRHBCRTIP-GFCCVEGCSA-N 1 0 225.719 2.285 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000641767754 362702416 /nfs/dbraw/zinc/70/24/16/362702416.db2.gz QHLJJIBEEWJWKZ-RGDDUWESSA-N 1 0 247.313 2.203 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCC(CC)CC1 ZINC000641769701 362703921 /nfs/dbraw/zinc/70/39/21/362703921.db2.gz YEFDDCWNBBFOQC-JXQTWKCFSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C=C\c1ccccc1 ZINC000641769598 362704217 /nfs/dbraw/zinc/70/42/17/362704217.db2.gz VTYKJEYQCHLYNC-YYRKOSNBSA-N 1 0 229.323 2.064 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000601140070 346344088 /nfs/dbraw/zinc/34/40/88/346344088.db2.gz QPYGQLYIVUSSLQ-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1nnc(C)s1 ZINC000289811196 346374667 /nfs/dbraw/zinc/37/46/67/346374667.db2.gz ONRLSIJHXKIJOB-VIFPVBQESA-N 1 0 225.361 2.333 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1ccncc1N ZINC000641774634 362714551 /nfs/dbraw/zinc/71/45/51/362714551.db2.gz NOFYGISGSRCSNF-UHFFFAOYSA-N 1 0 219.332 2.498 20 30 BEEDRO CCCCC[N@H+](CCO)CCCCC#N ZINC000112411768 535042639 /nfs/dbraw/zinc/04/26/39/535042639.db2.gz NLHRMGIBAFODRN-UHFFFAOYSA-N 1 0 212.337 2.165 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000289844253 346391054 /nfs/dbraw/zinc/39/10/54/346391054.db2.gz PZPCXQDMABYWBZ-MBNYWOFBSA-N 1 0 219.328 2.315 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000574952548 346439185 /nfs/dbraw/zinc/43/91/85/346439185.db2.gz VWLVDTGAHXKYKD-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387801527 347093063 /nfs/dbraw/zinc/09/30/63/347093063.db2.gz ANNPOYMEMJZBPX-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO CO[C@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182433853 347094765 /nfs/dbraw/zinc/09/47/65/347094765.db2.gz AWDWKBKTXOXDEX-NEPJUHHUSA-N 1 0 248.326 2.274 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ncccn1 ZINC000580096625 346521859 /nfs/dbraw/zinc/52/18/59/346521859.db2.gz LCDFCTJMSQUIGN-MNOVXSKESA-N 1 0 205.305 2.167 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ncccn1 ZINC000580096626 346522061 /nfs/dbraw/zinc/52/20/61/346522061.db2.gz LCDFCTJMSQUIGN-QWRGUYRKSA-N 1 0 205.305 2.167 20 30 BEEDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC#N)c1 ZINC000182461368 347096115 /nfs/dbraw/zinc/09/61/15/347096115.db2.gz XAIGUROLNJDJQK-JTQLQIEISA-N 1 0 234.299 2.355 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1ccc(C#N)s1 ZINC000580740532 346496905 /nfs/dbraw/zinc/49/69/05/346496905.db2.gz RWEVTQPQKKEKSG-UHFFFAOYSA-N 1 0 237.372 2.003 20 30 BEEDRO C=CCCC[N@@H+]1[C@H](C)[C@H](C)CC[C@H]1CN ZINC000641807570 362765862 /nfs/dbraw/zinc/76/58/62/362765862.db2.gz LAAJJZPHBSUARW-UPJWGTAASA-N 1 0 210.365 2.400 20 30 BEEDRO CCc1nc(C[NH2+]CCCCC#N)cs1 ZINC000163864083 346580492 /nfs/dbraw/zinc/58/04/92/346580492.db2.gz RYWQIFCQUFSHOV-UHFFFAOYSA-N 1 0 223.345 2.489 20 30 BEEDRO C[C@@H](Nc1cccnc1C#N)C(C)(C)C[NH+](C)C ZINC000589578627 346715921 /nfs/dbraw/zinc/71/59/21/346715921.db2.gz UPWYVKWATURAQD-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000343260397 166246384 /nfs/dbraw/zinc/24/63/84/166246384.db2.gz QGFCGESTNBDUAJ-OLZOCXBDSA-N 1 0 240.391 2.434 20 30 BEEDRO CC(C)N(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000589344018 346690386 /nfs/dbraw/zinc/69/03/86/346690386.db2.gz MREPTWJNWPDLHM-BFHYXJOUSA-N 1 0 237.391 2.387 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC(C3CC3)C2)cc1 ZINC000589736752 346734559 /nfs/dbraw/zinc/73/45/59/346734559.db2.gz HFFSAUWVZCMULJ-UHFFFAOYSA-N 1 0 212.296 2.400 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000590154167 346781435 /nfs/dbraw/zinc/78/14/35/346781435.db2.gz KNXXRYBFBUQRQR-FRRDWIJNSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000309571560 347105493 /nfs/dbraw/zinc/10/54/93/347105493.db2.gz NAPQGPRAUIEACT-SNVBAGLBSA-N 1 0 238.356 2.047 20 30 BEEDRO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000590161663 346784727 /nfs/dbraw/zinc/78/47/27/346784727.db2.gz BWALVPMWPNQSLK-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO COc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000590167051 346786506 /nfs/dbraw/zinc/78/65/06/346786506.db2.gz SYQQYSQTVXOABV-YPMHNXCESA-N 1 0 245.326 2.214 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000590169336 346786856 /nfs/dbraw/zinc/78/68/56/346786856.db2.gz QIKJIXMPECRDSL-OPRDCNLKSA-N 1 0 214.259 2.266 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590173414 346788117 /nfs/dbraw/zinc/78/81/17/346788117.db2.gz MIAZNRMUAZYNLG-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCCOCC[NH+]1CCC(C2CC2)CC1 ZINC000590183928 346788812 /nfs/dbraw/zinc/78/88/12/346788812.db2.gz DZJZXKBEPOEFTA-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000309597585 347114406 /nfs/dbraw/zinc/11/44/06/347114406.db2.gz IXLQICFHNCWNMD-NSHDSACASA-N 1 0 237.372 2.296 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000309604489 347120238 /nfs/dbraw/zinc/12/02/38/347120238.db2.gz XLLAJLOHYGIFGK-GFCCVEGCSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000183142207 347120404 /nfs/dbraw/zinc/12/04/04/347120404.db2.gz KYJNNNRKVSXXGQ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@]1(OC)CCOC1 ZINC000309696289 347135464 /nfs/dbraw/zinc/13/54/64/347135464.db2.gz LCGKNPYKTVGTJC-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000309716717 347145347 /nfs/dbraw/zinc/14/53/47/347145347.db2.gz ZAYIZGYPXBUZQM-SNVBAGLBSA-N 1 0 213.284 2.237 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000309793933 347164523 /nfs/dbraw/zinc/16/45/23/347164523.db2.gz UYBXYEQMKWDOIV-HWWQOWPSSA-N 1 0 243.416 2.478 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOCC2CCC2)o1 ZINC000580684301 365877647 /nfs/dbraw/zinc/87/76/47/365877647.db2.gz WKNHBGALJSAFPP-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491786410 347197249 /nfs/dbraw/zinc/19/72/49/347197249.db2.gz WMVDYSZEANGEGX-CHWSQXEVSA-N 1 0 242.322 2.431 20 30 BEEDRO C[C@H]1C[C@H]([NH+]2CCN(CCC#N)CC2)C[C@@H](C)C1 ZINC000601315763 347198551 /nfs/dbraw/zinc/19/85/51/347198551.db2.gz OTHDEILGHPXPCE-FICVDOATSA-N 1 0 249.402 2.342 20 30 BEEDRO C=CC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185465906 347202189 /nfs/dbraw/zinc/20/21/89/347202189.db2.gz PCRXWUVWLZGQHN-UHFFFAOYSA-N 1 0 217.312 2.156 20 30 BEEDRO Cn1cc(CCC[NH2+][C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000185712966 347210814 /nfs/dbraw/zinc/21/08/14/347210814.db2.gz OHZBKBTXCMHYMY-OCCSQVGLSA-N 1 0 246.358 2.025 20 30 BEEDRO CC[C@@H](CO)NC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000187141237 347250015 /nfs/dbraw/zinc/25/00/15/347250015.db2.gz SMAOIFLDZKEROT-LBPRGKRZSA-N 1 0 249.358 2.308 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](CC)c1cnn(C)c1 ZINC000129645110 133654527 /nfs/dbraw/zinc/65/45/27/133654527.db2.gz LGXLPISGGDPEGJ-ZYHUDNBSSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000172618724 166256937 /nfs/dbraw/zinc/25/69/37/166256937.db2.gz JCJAGNXTPRGTSM-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000301027132 347329801 /nfs/dbraw/zinc/32/98/01/347329801.db2.gz PVDCMIRRAGZVKJ-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](C)OC)c1 ZINC000189388515 347301971 /nfs/dbraw/zinc/30/19/71/347301971.db2.gz CXIYTAVKKXVRPE-SNVBAGLBSA-N 1 0 235.331 2.011 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)[C@@H]1CO ZINC000189696899 347308855 /nfs/dbraw/zinc/30/88/55/347308855.db2.gz CJIPOLMNCOMUGZ-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1nc(NCCC[NH+]2CCCC2)ccc1C#N ZINC000310898679 347320054 /nfs/dbraw/zinc/32/00/54/347320054.db2.gz MIPUXABEKDVORG-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO CC[C@](C)(C[NH2+]CC1(CC#N)CC1)OC ZINC000322695962 347408435 /nfs/dbraw/zinc/40/84/35/347408435.db2.gz LXRMFPOZJLRLCX-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192596680 347378871 /nfs/dbraw/zinc/37/88/71/347378871.db2.gz BWMLMOJUECWNEU-NSHDSACASA-N 1 0 235.331 2.450 20 30 BEEDRO CCCNc1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000193044174 347388400 /nfs/dbraw/zinc/38/84/00/347388400.db2.gz ULEUWPILCSAYRB-UHFFFAOYSA-N 1 0 246.358 2.075 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302502 347394817 /nfs/dbraw/zinc/39/48/17/347394817.db2.gz BJBNOECRKLVQTD-QWHCGFSZSA-N 1 0 249.333 2.338 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000178437129 166259798 /nfs/dbraw/zinc/25/97/98/166259798.db2.gz ZPCCTWICNPBLMS-MRXNPFEDSA-N 1 0 237.368 2.432 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000590653273 347483507 /nfs/dbraw/zinc/48/35/07/347483507.db2.gz FWGSNMLFOFFEPT-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H]2CCCC23CCC3)CC1 ZINC000590645873 347484694 /nfs/dbraw/zinc/48/46/94/347484694.db2.gz ZNDBRZZKZJHRHN-CQSZACIVSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000590645594 347484784 /nfs/dbraw/zinc/48/47/84/347484784.db2.gz JOPJRIMTIKZRDO-UMVBOHGHSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000590657023 347486208 /nfs/dbraw/zinc/48/62/08/347486208.db2.gz BCOXWSQBRPMBSJ-UTUOFQBUSA-N 1 0 225.332 2.272 20 30 BEEDRO Cc1ccc(C#N)nc1NCC(C)(C)[NH+](C)C ZINC000590568401 347470343 /nfs/dbraw/zinc/47/03/43/347470343.db2.gz FCSFBCSPRUHVKV-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000590592938 347478109 /nfs/dbraw/zinc/47/81/09/347478109.db2.gz CZOWKXQCROGISI-STQMWFEESA-N 1 0 224.348 2.285 20 30 BEEDRO COc1cccc2c1C[N@H+](CCCC#N)CC2 ZINC000590759755 347518313 /nfs/dbraw/zinc/51/83/13/347518313.db2.gz KAILUXSTNFJMFN-UHFFFAOYSA-N 1 0 230.311 2.357 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000119971334 347542970 /nfs/dbraw/zinc/54/29/70/347542970.db2.gz QQPIUJMDFATEPY-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO CCc1nn(C)cc1C[NH2+]CC(C)(C)CC#N ZINC000590970588 347597288 /nfs/dbraw/zinc/59/72/88/347597288.db2.gz RIJDNOJSQORZRX-UHFFFAOYSA-N 1 0 234.347 2.012 20 30 BEEDRO COC1([C@@H](C)[NH2+]Cc2ccnc(C#N)c2)CCC1 ZINC000591051590 347615284 /nfs/dbraw/zinc/61/52/84/347615284.db2.gz WYPJSHLYSKYYQL-LLVKDONJSA-N 1 0 245.326 2.000 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083287 347615995 /nfs/dbraw/zinc/61/59/95/347615995.db2.gz UJBWXICWIGDUPT-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO C[C@@H]([NH3+])CCNc1nc(C(C)(C)C)ccc1C#N ZINC000591426836 347658215 /nfs/dbraw/zinc/65/82/15/347658215.db2.gz PKSFTHLHTOUNJF-SNVBAGLBSA-N 1 0 246.358 2.400 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCCOC(C)(C)C1 ZINC000591014599 347606190 /nfs/dbraw/zinc/60/61/90/347606190.db2.gz ZDHGHQUJNSWPNW-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO CC#CCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000334430971 347607243 /nfs/dbraw/zinc/60/72/43/347607243.db2.gz VOYIYMZREXYHIR-JTQLQIEISA-N 1 0 201.260 2.377 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591055377 347611834 /nfs/dbraw/zinc/61/18/34/347611834.db2.gz ICABOCZAMFGFHE-GXTWGEPZSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@@H](NCC[NH2+]C1CC1)c1ccc(C#N)c(F)c1 ZINC000591577270 347676702 /nfs/dbraw/zinc/67/67/02/347676702.db2.gz KVHXMGVJJYBTJJ-SNVBAGLBSA-N 1 0 247.317 2.100 20 30 BEEDRO N#Cc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000591573465 347676846 /nfs/dbraw/zinc/67/68/46/347676846.db2.gz ZCJVZVHEHJXRGN-QWHCGFSZSA-N 1 0 249.745 2.181 20 30 BEEDRO N#Cc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000591573464 347676917 /nfs/dbraw/zinc/67/69/17/347676917.db2.gz ZCJVZVHEHJXRGN-OLZOCXBDSA-N 1 0 249.745 2.181 20 30 BEEDRO CC(C)([NH3+])CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591577508 347677569 /nfs/dbraw/zinc/67/75/69/347677569.db2.gz TURWLSHHEQSYKV-AWEZNQCLSA-N 1 0 243.354 2.263 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000591639785 347681692 /nfs/dbraw/zinc/68/16/92/347681692.db2.gz MPGKBODIJADZMV-ZJUUUORDSA-N 1 0 247.367 2.414 20 30 BEEDRO CCOCc1ccc(CNCCC#N)cc1 ZINC000577275160 365912090 /nfs/dbraw/zinc/91/20/90/365912090.db2.gz MIZWHDRCLYVPQW-UHFFFAOYSA-N 1 0 218.300 2.226 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCc1cccs1 ZINC000591723633 347688926 /nfs/dbraw/zinc/68/89/26/347688926.db2.gz VGIAOZNTAHFNSZ-NSHDSACASA-N 1 0 233.340 2.324 20 30 BEEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1CCC1 ZINC000591757414 347691232 /nfs/dbraw/zinc/69/12/32/347691232.db2.gz ZSTZVUYJNRPXAZ-QWRGUYRKSA-N 1 0 205.305 2.208 20 30 BEEDRO CC(C)(C#N)C[NH2+]CCC(=O)Nc1ccccc1 ZINC000591758926 347691825 /nfs/dbraw/zinc/69/18/25/347691825.db2.gz BBEJGSLQFYNQJT-UHFFFAOYSA-N 1 0 245.326 2.155 20 30 BEEDRO CCC(CC)C[NH2+]C[C@@H](C#N)CCC#N ZINC000591734599 347694027 /nfs/dbraw/zinc/69/40/27/347694027.db2.gz WMRMAKPJXCTMIV-GFCCVEGCSA-N 1 0 207.321 2.456 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000591845582 347706408 /nfs/dbraw/zinc/70/64/08/347706408.db2.gz PQWFYTUBLUTLDS-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)Cn1nccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000592368883 347770342 /nfs/dbraw/zinc/77/03/42/347770342.db2.gz IJYKRAWHOHHPAK-QWHCGFSZSA-N 1 0 246.358 2.321 20 30 BEEDRO CCCC[C@@](C)(CO)[NH2+]Cc1ccc(C#N)o1 ZINC000592374147 347771001 /nfs/dbraw/zinc/77/10/01/347771001.db2.gz FVPHPNDKZCRKRO-ZDUSSCGKSA-N 1 0 236.315 2.182 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000592375559 347771866 /nfs/dbraw/zinc/77/18/66/347771866.db2.gz TZTOEIRRFGECDY-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000592398231 347776757 /nfs/dbraw/zinc/77/67/57/347776757.db2.gz RSBSGLOYSGYIOJ-WUHRBBMRSA-N 1 0 224.348 2.065 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000592067201 347726750 /nfs/dbraw/zinc/72/67/50/347726750.db2.gz RTALPBPAWHXJTE-AWEZNQCLSA-N 1 0 227.311 2.328 20 30 BEEDRO CC[C@H](C)C[N@H+](C)Cc1ccncc1C#N ZINC000592071113 347727094 /nfs/dbraw/zinc/72/70/94/347727094.db2.gz ZWRALUDYPSIQET-NSHDSACASA-N 1 0 217.316 2.431 20 30 BEEDRO C[C@H]1SCCN(Cc2ccncc2C#N)[C@@H]1C ZINC000592069898 347727450 /nfs/dbraw/zinc/72/74/50/347727450.db2.gz YNDUXDOAXXNNDR-GHMZBOCLSA-N 1 0 247.367 2.279 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccncc1C#N ZINC000592072493 347728567 /nfs/dbraw/zinc/72/85/67/347728567.db2.gz NDOARRFFXMFTGB-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO N#CCC[N@H+](CCC[C@H]1CCOC1)CC1CC1 ZINC000592071770 347728591 /nfs/dbraw/zinc/72/85/91/347728591.db2.gz QRDUBJKDPLJINU-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccncc1C#N ZINC000592075311 347729397 /nfs/dbraw/zinc/72/93/97/347729397.db2.gz VJINVKWQZHAQHG-GHMZBOCLSA-N 1 0 215.300 2.326 20 30 BEEDRO CC1=CCN(Cc2ccncc2C#N)CC1 ZINC000592086493 347731120 /nfs/dbraw/zinc/73/11/20/347731120.db2.gz JPIMMNWQHVIHQM-UHFFFAOYSA-N 1 0 213.284 2.105 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccncc2C#N)C1 ZINC000592055751 347731875 /nfs/dbraw/zinc/73/18/75/347731875.db2.gz FIQGXWDNBLAIGX-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000592106998 347735038 /nfs/dbraw/zinc/73/50/38/347735038.db2.gz BXLFWMPDAWAYHU-RISCZKNCSA-N 1 0 227.311 2.328 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592128137 347738776 /nfs/dbraw/zinc/73/87/76/347738776.db2.gz FPBHNJQSTLSFDH-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000592125740 347739259 /nfs/dbraw/zinc/73/92/59/347739259.db2.gz IPZJOTRYPNAGQZ-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO Cc1cc(C)cc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592148233 347740831 /nfs/dbraw/zinc/74/08/31/347740831.db2.gz SATWLJVHOZTGNT-OAHLLOKOSA-N 1 0 244.338 2.154 20 30 BEEDRO N#CCCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000592162360 347745969 /nfs/dbraw/zinc/74/59/69/347745969.db2.gz YGVVXCLUSVIWKW-ZDUSSCGKSA-N 1 0 236.290 2.143 20 30 BEEDRO Cc1cc(Cl)cc(C#N)c1OCC1C[NH2+]C1 ZINC000592166887 347746510 /nfs/dbraw/zinc/74/65/10/347746510.db2.gz KLBHBNKHAKASLJ-UHFFFAOYSA-N 1 0 236.702 2.118 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CN(CCC#N)CC(C)(C)C ZINC000593014780 347844692 /nfs/dbraw/zinc/84/46/92/347844692.db2.gz RRIBHHPYODLGHN-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CN(CCC#N)Cc1ccco1 ZINC000593016495 347845228 /nfs/dbraw/zinc/84/52/28/347845228.db2.gz QGGSSYULPCIYPD-CYBMUJFWSA-N 1 0 247.342 2.089 20 30 BEEDRO N#CCCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000592988054 347837194 /nfs/dbraw/zinc/83/71/94/347837194.db2.gz DWQOCDKKARMPFK-UHFFFAOYSA-N 1 0 228.295 2.356 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(CC3(F)F)C2)C1 ZINC000593118324 347862750 /nfs/dbraw/zinc/86/27/50/347862750.db2.gz QEJYUUSUTPVRFW-VWYCJHECSA-N 1 0 226.270 2.410 20 30 BEEDRO C[C@@H](CCO)[N@H+](C)CC(C)(C)CCC#N ZINC000593694426 347929141 /nfs/dbraw/zinc/92/91/41/347929141.db2.gz MHHZHYQCVZHNBW-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(C#N)o1 ZINC000593682146 347933032 /nfs/dbraw/zinc/93/30/32/347933032.db2.gz OFQSSHMQTNOWSV-SNVBAGLBSA-N 1 0 234.299 2.056 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2([S@@](C)=O)CC2)C1 ZINC000593626327 347917902 /nfs/dbraw/zinc/91/79/02/347917902.db2.gz WLSDJHFCRRQSDT-XHBSWPGZSA-N 1 0 241.400 2.232 20 30 BEEDRO C[C@@H](CCn1cccn1)[NH2+]CC1(C#N)CCCC1 ZINC000593653415 347921442 /nfs/dbraw/zinc/92/14/42/347921442.db2.gz KJUJRJLQQVYJNA-ZDUSSCGKSA-N 1 0 246.358 2.335 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCSCC ZINC000449548678 201961626 /nfs/dbraw/zinc/96/16/26/201961626.db2.gz PORHSPBAIUMBRI-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO CC#CCC[N@@H+](CCC(=O)OCC)C(C)C ZINC000594050133 347988795 /nfs/dbraw/zinc/98/87/95/347988795.db2.gz ASKKNWGPPAXBQW-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000594063606 347997623 /nfs/dbraw/zinc/99/76/23/347997623.db2.gz JGFMGPRPZICVGY-LBPRGKRZSA-N 1 0 244.338 2.212 20 30 BEEDRO CCC[C@@H](CC)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594430894 348045638 /nfs/dbraw/zinc/04/56/38/348045638.db2.gz CUVBPIQMXPWBLX-VXGBXAGGSA-N 1 0 239.363 2.093 20 30 BEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000594424618 348051154 /nfs/dbraw/zinc/05/11/54/348051154.db2.gz HERQRONKNJGBPX-GFCCVEGCSA-N 1 0 249.289 2.175 20 30 BEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1F ZINC000594426677 348053163 /nfs/dbraw/zinc/05/31/63/348053163.db2.gz QWNLWYHTJDWBSL-LLVKDONJSA-N 1 0 249.289 2.175 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1noc2ccccc21 ZINC000594708538 348103531 /nfs/dbraw/zinc/10/35/31/348103531.db2.gz AOSQNUSTYZRJDY-JTQLQIEISA-N 1 0 229.283 2.262 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)CCOC ZINC000594709289 348104112 /nfs/dbraw/zinc/10/41/12/348104112.db2.gz FJJCGRDLKMWYKH-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO N#CCC[NH2+]CCc1ccnc2ccccc12 ZINC000594716883 348106190 /nfs/dbraw/zinc/10/61/90/348106190.db2.gz YQOKZGLQJPMUFO-UHFFFAOYSA-N 1 0 225.295 2.281 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718814 348107104 /nfs/dbraw/zinc/10/71/04/348107104.db2.gz VBZHAENERWZPJA-AWEZNQCLSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@H]1C[NH2+]C[C@H](NCC2(C#N)CCCCC2)C1 ZINC000594738513 348110592 /nfs/dbraw/zinc/11/05/92/348110592.db2.gz FYPYIWPCUAQGPF-CHWSQXEVSA-N 1 0 235.375 2.048 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000594610959 348082041 /nfs/dbraw/zinc/08/20/41/348082041.db2.gz AFUHNOQBLTYFFD-ZJUUUORDSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@@H](CC[NH+](C)C)Nc1cc(F)ccc1C#N ZINC001639374950 1172100567 /nfs/dbraw/zinc/10/05/67/1172100567.db2.gz CDTRKTXIBZSWJR-JTQLQIEISA-N 1 0 235.306 2.449 20 30 BEEDRO CC(C)(O)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594928502 348139093 /nfs/dbraw/zinc/13/90/93/348139093.db2.gz ZOVOBIGHKORXLX-UHFFFAOYSA-N 1 0 244.338 2.102 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000594938950 348142535 /nfs/dbraw/zinc/14/25/35/348142535.db2.gz XVWJMJWZIYVGHD-HOAMVYINSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CO1 ZINC000594955403 348148924 /nfs/dbraw/zinc/14/89/24/348148924.db2.gz OBAMCPIKOOXGLK-GJZGRUSLSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CCO1 ZINC000594956085 348149050 /nfs/dbraw/zinc/14/90/50/348149050.db2.gz TYQNJFKRACYXEJ-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO N#Cc1ccc(CC[NH2+]C[C@H]2CCSC2)cc1 ZINC000594955720 348149069 /nfs/dbraw/zinc/14/90/69/348149069.db2.gz SQXFIBYEYKUTGD-CQSZACIVSA-N 1 0 246.379 2.443 20 30 BEEDRO CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000594959347 348150256 /nfs/dbraw/zinc/15/02/56/348150256.db2.gz CKZAOYMJNRFYEX-NSHDSACASA-N 1 0 247.342 2.114 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cccnc1 ZINC000594960243 348150846 /nfs/dbraw/zinc/15/08/46/348150846.db2.gz NUVNTHSNXMTCQY-UHFFFAOYSA-N 1 0 222.357 2.481 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000594960852 348150930 /nfs/dbraw/zinc/15/09/30/348150930.db2.gz XQYRONPXYVGHGY-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000594960853 348151077 /nfs/dbraw/zinc/15/10/77/348151077.db2.gz XQYRONPXYVGHGY-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CO1 ZINC000594920016 348154492 /nfs/dbraw/zinc/15/44/92/348154492.db2.gz MBNKMRGHXISXJG-QWHCGFSZSA-N 1 0 248.301 2.354 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CO1 ZINC000594920017 348154732 /nfs/dbraw/zinc/15/47/32/348154732.db2.gz MBNKMRGHXISXJG-STQMWFEESA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000594967218 348160755 /nfs/dbraw/zinc/16/07/55/348160755.db2.gz IIHJLKUTHBOIRX-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000594983461 348164763 /nfs/dbraw/zinc/16/47/63/348164763.db2.gz MLMLXPVAWHHRQN-HNNXBMFYSA-N 1 0 244.338 2.056 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)s1 ZINC000594989521 348167201 /nfs/dbraw/zinc/16/72/01/348167201.db2.gz UAEZWYCWGTYPGU-RYUDHWBXSA-N 1 0 248.351 2.013 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000594997204 348168684 /nfs/dbraw/zinc/16/86/84/348168684.db2.gz ZGGCOMPZRUOERI-CQSZACIVSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C[S@](C)=O ZINC000595034495 348175829 /nfs/dbraw/zinc/17/58/29/348175829.db2.gz WCSJFSCDRBGPBM-ZWUHOBOKSA-N 1 0 243.416 2.478 20 30 BEEDRO COC1CC(CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000595047902 348179916 /nfs/dbraw/zinc/17/99/16/348179916.db2.gz HKJDJLPREMCZOH-QBHFIFKDSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H]1C[N@H+](CCc2ccc(C#N)cc2)CCO1 ZINC000595297274 348215767 /nfs/dbraw/zinc/21/57/67/348215767.db2.gz LEGNYRKDGGEEHL-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1CCO[C@H](C)C1 ZINC000595297923 348217062 /nfs/dbraw/zinc/21/70/62/348217062.db2.gz KULDOOPEFYOPPF-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO CN(CC[NH+]1CCCC1)[C@H](C#N)c1ccccc1 ZINC000595312964 348223661 /nfs/dbraw/zinc/22/36/61/348223661.db2.gz OBLOELVEWLYQOU-OAHLLOKOSA-N 1 0 243.354 2.279 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCn2nccc21 ZINC000595050037 348180709 /nfs/dbraw/zinc/18/07/09/348180709.db2.gz FBFDWPXWXNUPDB-LLVKDONJSA-N 1 0 232.331 2.247 20 30 BEEDRO COC1([C@@H](C)[NH2+]CC2(CC#N)CC2)CCC1 ZINC000595053483 348181677 /nfs/dbraw/zinc/18/16/77/348181677.db2.gz KDZHWIMSZLYBDG-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595056578 348183276 /nfs/dbraw/zinc/18/32/76/348183276.db2.gz MJWUOGKPENXQNT-MGPQQGTHSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc(C#N)c1 ZINC000595057518 348183321 /nfs/dbraw/zinc/18/33/21/348183321.db2.gz YPIBXHLXAQFQDH-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCCOCC1 ZINC000595060574 348184656 /nfs/dbraw/zinc/18/46/56/348184656.db2.gz VQOIBUBOBCVYAG-LBPRGKRZSA-N 1 0 229.389 2.454 20 30 BEEDRO CC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595059930 348184765 /nfs/dbraw/zinc/18/47/65/348184765.db2.gz IRJJYFSLHOREQZ-LLVKDONJSA-N 1 0 202.301 2.489 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1ccncn1 ZINC000595061254 348185165 /nfs/dbraw/zinc/18/51/65/348185165.db2.gz ZIQBKLICLVFNIY-LLVKDONJSA-N 1 0 237.372 2.437 20 30 BEEDRO CC[C@H]([NH2+]C/C=C/CO)c1ccc(C#N)cc1 ZINC000595067609 348187235 /nfs/dbraw/zinc/18/72/35/348187235.db2.gz GXJJGDOXNKCYFX-XGACYXMMSA-N 1 0 230.311 2.147 20 30 BEEDRO CC(C)(C)OCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595076505 348189251 /nfs/dbraw/zinc/18/92/51/348189251.db2.gz KWABMWNEKOSVTG-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595077880 348189767 /nfs/dbraw/zinc/18/97/67/348189767.db2.gz QUUMXZJYDNDGID-STQMWFEESA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1(F)F ZINC000595081201 348190390 /nfs/dbraw/zinc/19/03/90/348190390.db2.gz QQUWZSQTMMKBBX-IVZWLZJFSA-N 1 0 214.259 2.314 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000595090007 348191177 /nfs/dbraw/zinc/19/11/77/348191177.db2.gz BOVSESULUOYBFO-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1nccn1C ZINC000595106001 348196617 /nfs/dbraw/zinc/19/66/17/348196617.db2.gz GLGYLVLBBXBEII-SRVKXCTJSA-N 1 0 232.331 2.153 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595104984 348196806 /nfs/dbraw/zinc/19/68/06/348196806.db2.gz BZFZNICAKSUNRI-TUAOUCFPSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000595107621 348197688 /nfs/dbraw/zinc/19/76/88/348197688.db2.gz OUCNWEYWLSODHY-UPJWGTAASA-N 1 0 236.359 2.473 20 30 BEEDRO COCC1([N@H+](C)CCc2ccc(C#N)cc2)CC1 ZINC000595400806 348238294 /nfs/dbraw/zinc/23/82/94/348238294.db2.gz NHBIMXKSULCBOE-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@@H]1CCCC[C@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000595391394 348243676 /nfs/dbraw/zinc/24/36/76/348243676.db2.gz JWXGOIGCKUJMMY-CABCVRRESA-N 1 0 249.402 2.344 20 30 BEEDRO C[C@H]1CCCC[C@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000595391395 348243841 /nfs/dbraw/zinc/24/38/41/348243841.db2.gz JWXGOIGCKUJMMY-GJZGRUSLSA-N 1 0 249.402 2.344 20 30 BEEDRO CO[C@H](C[NH+]1CCC(CC#N)CC1)C1CCC1 ZINC000595423586 348246055 /nfs/dbraw/zinc/24/60/55/348246055.db2.gz BFMKDNZFYGCIST-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C1CCC1 ZINC000595428225 348247516 /nfs/dbraw/zinc/24/75/16/348247516.db2.gz WRRANUCXBVLJPV-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CCC1 ZINC000595428223 348247644 /nfs/dbraw/zinc/24/76/44/348247644.db2.gz WRRANUCXBVLJPV-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595454116 348254015 /nfs/dbraw/zinc/25/40/15/348254015.db2.gz JARZPHGCPJQJJU-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000595485490 348259210 /nfs/dbraw/zinc/25/92/10/348259210.db2.gz TXUMCNVEAOWUSX-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO COC(C)(C)C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595342872 348234473 /nfs/dbraw/zinc/23/44/73/348234473.db2.gz BEILVFOVGFSHQP-UHFFFAOYSA-N 1 0 246.354 2.458 20 30 BEEDRO CO[C@@H](CC(C)C)C[NH+]1CCC(F)(C#N)CC1 ZINC000419254241 192115246 /nfs/dbraw/zinc/11/52/46/192115246.db2.gz AEMCMHIPEMLFAZ-LBPRGKRZSA-N 1 0 242.338 2.375 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(C#N)cc1 ZINC000595530203 348272633 /nfs/dbraw/zinc/27/26/33/348272633.db2.gz OUGXWYFRGHELRU-CQSZACIVSA-N 1 0 227.311 2.383 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](CC(C)C)OC ZINC000419262420 192117192 /nfs/dbraw/zinc/11/71/92/192117192.db2.gz VWKDQQNCUSZTBC-CYBMUJFWSA-N 1 0 229.364 2.182 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CO)C1CCC1 ZINC000595617871 348289756 /nfs/dbraw/zinc/28/97/56/348289756.db2.gz UZXQIOHAGYVYLP-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595633530 348290532 /nfs/dbraw/zinc/29/05/32/348290532.db2.gz ZDKOCICUAJGVJD-UHFFFAOYSA-N 1 0 235.356 2.152 20 30 BEEDRO C[C@@H](C#N)N(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000595710392 348322233 /nfs/dbraw/zinc/32/22/33/348322233.db2.gz ONAHQWLFVJRPNZ-MJBXVCDLSA-N 1 0 249.402 2.341 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000595633206 348294059 /nfs/dbraw/zinc/29/40/59/348294059.db2.gz OLGYZTPXGZSHNL-AWEZNQCLSA-N 1 0 246.354 2.400 20 30 BEEDRO C[C@H](C#N)N(CC[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000595710389 348322253 /nfs/dbraw/zinc/32/22/53/348322253.db2.gz ONAHQWLFVJRPNZ-HZSPNIEDSA-N 1 0 249.402 2.341 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCCC(=O)OC)C1 ZINC000595660986 348300443 /nfs/dbraw/zinc/30/04/43/348300443.db2.gz VFAAVBUDDMVLQJ-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595637998 348302953 /nfs/dbraw/zinc/30/29/53/348302953.db2.gz PCGUBMGCXCOWKL-UHFFFAOYSA-N 1 0 247.367 2.318 20 30 BEEDRO N#Cc1ccc(OCC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595809527 348349243 /nfs/dbraw/zinc/34/92/43/348349243.db2.gz SPWVXXSDPPTMFA-KBPBESRZSA-N 1 0 242.322 2.279 20 30 BEEDRO C[C@]12COC[C@@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000595755164 348329432 /nfs/dbraw/zinc/32/94/32/348329432.db2.gz HKVUXAXMGZCGQF-GJZGRUSLSA-N 1 0 242.322 2.027 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000595760921 348332979 /nfs/dbraw/zinc/33/29/79/348332979.db2.gz VFDWQLRRXCFGOO-TZMCWYRMSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000595767145 348334923 /nfs/dbraw/zinc/33/49/23/348334923.db2.gz VEBXHMWERRPNFO-GXFFZTMASA-N 1 0 248.301 2.043 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000595767173 348335056 /nfs/dbraw/zinc/33/50/56/348335056.db2.gz WCRSSXBOSAFKJC-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCC#N)cn1 ZINC000595769608 348335970 /nfs/dbraw/zinc/33/59/70/348335970.db2.gz KNTYDDSVPVOIOY-KBPBESRZSA-N 1 0 246.358 2.025 20 30 BEEDRO COc1ccc(C#N)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812674 348352121 /nfs/dbraw/zinc/35/21/21/348352121.db2.gz YJYPJPOWSHDTHR-STQMWFEESA-N 1 0 242.322 2.409 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000595780686 348338881 /nfs/dbraw/zinc/33/88/81/348338881.db2.gz KSDGYLDMNVNKBV-VOAKCMCISA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCCC#N)C[C@H](C)O1 ZINC000595779741 348339304 /nfs/dbraw/zinc/33/93/04/348339304.db2.gz HFNRYPWAFZIGAT-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccccc2C#N)C[C@@H](C)C1O ZINC000595744370 348339510 /nfs/dbraw/zinc/33/95/10/348339510.db2.gz WTXHTXLDSORUDJ-VXGBXAGGSA-N 1 0 244.338 2.007 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000595784358 348344921 /nfs/dbraw/zinc/34/49/21/348344921.db2.gz VFWNZNZKDZAZRX-NEPJUHHUSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000595784362 348345597 /nfs/dbraw/zinc/34/55/97/348345597.db2.gz VFWNZNZKDZAZRX-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000595784367 348345920 /nfs/dbraw/zinc/34/59/20/348345920.db2.gz VFWNZNZKDZAZRX-VXGBXAGGSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)CC1CCCC1 ZINC000305053941 166297548 /nfs/dbraw/zinc/29/75/48/166297548.db2.gz DMCBMZSRGRRAGM-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCc2ccccc2)C1 ZINC000595834206 348368251 /nfs/dbraw/zinc/36/82/51/348368251.db2.gz KOOFDFHPJVHCPW-AWEZNQCLSA-N 1 0 214.312 2.465 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000595840428 348374325 /nfs/dbraw/zinc/37/43/25/348374325.db2.gz BFZKJTXCPABXRZ-RNJOBUHISA-N 1 0 204.317 2.268 20 30 BEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000385914793 362906006 /nfs/dbraw/zinc/90/60/06/362906006.db2.gz RTQBBCPODBZVEK-GJZGRUSLSA-N 1 0 244.338 2.151 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000385914795 362906397 /nfs/dbraw/zinc/90/63/97/362906397.db2.gz RTQBBCPODBZVEK-LSDHHAIUSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@@](C)(C#N)C2)C1 ZINC000595842958 348379919 /nfs/dbraw/zinc/37/99/19/348379919.db2.gz WRKFGZDSMMRHQA-ZNMIVQPWSA-N 1 0 249.402 2.200 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)OCC ZINC000595844461 348381744 /nfs/dbraw/zinc/38/17/44/348381744.db2.gz FJXZZGHJNHRNDH-UTUOFQBUSA-N 1 0 223.316 2.121 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@H+](CCC1CC1)CC1CC1 ZINC000595872316 348386584 /nfs/dbraw/zinc/38/65/84/348386584.db2.gz VIUMYDLJWGIRCR-ZDUSSCGKSA-N 1 0 237.343 2.226 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC000595844786 348353956 /nfs/dbraw/zinc/35/39/56/348353956.db2.gz VRAKEJMREODBSQ-JHJVBQTASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@]1(C)CO ZINC000595875138 348387223 /nfs/dbraw/zinc/38/72/23/348387223.db2.gz PRNKNCOMAGHKQU-JSGCOSHPSA-N 1 0 238.375 2.267 20 30 BEEDRO CCN(CCC1(OC)CCC1)[C@H](C)C#N ZINC000595820125 348361166 /nfs/dbraw/zinc/36/11/66/348361166.db2.gz JYOZWNQBCAKLOB-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO CCN(Cc1cc(OC)cc(C)n1)[C@H](C)C#N ZINC000595820059 348361283 /nfs/dbraw/zinc/36/12/83/348361283.db2.gz INTKIZAEKWIPSB-LLVKDONJSA-N 1 0 233.315 2.133 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H](CCC)OC ZINC000385979281 362920066 /nfs/dbraw/zinc/92/00/66/362920066.db2.gz CMAJWXGUFQOWAO-LLVKDONJSA-N 1 0 217.378 2.310 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000595827024 348364371 /nfs/dbraw/zinc/36/43/71/348364371.db2.gz KPJSDJGRIOAPSI-GJZGRUSLSA-N 1 0 242.322 2.027 20 30 BEEDRO CN(CC1=CCSC1)Cc1ccncc1C#N ZINC000595889207 348390052 /nfs/dbraw/zinc/39/00/52/348390052.db2.gz RTACAZWFJFXHCE-UHFFFAOYSA-N 1 0 245.351 2.058 20 30 BEEDRO CC(C)[C@](C)(CN)[NH2+]CCc1ccc(C#N)cc1 ZINC000595891023 348390062 /nfs/dbraw/zinc/39/00/62/348390062.db2.gz IZKSGZUTYLRZIQ-HNNXBMFYSA-N 1 0 245.370 2.064 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC#N)C[C@@](C)(C(F)F)O1 ZINC000595913164 348399416 /nfs/dbraw/zinc/39/94/16/348399416.db2.gz CIEFEXYTMZZIQG-JQWIXIFHSA-N 1 0 246.301 2.425 20 30 BEEDRO CC12CC(C1)C[N@@H+]2CCOc1cccc(C#N)c1 ZINC000595914559 348399888 /nfs/dbraw/zinc/39/98/88/348399888.db2.gz BWXKYTBXLFIJQW-UHFFFAOYSA-N 1 0 242.322 2.421 20 30 BEEDRO CO[C@@H](C[NH2+][C@H](C)CC#N)C1CCCC1 ZINC000596047312 348428859 /nfs/dbraw/zinc/42/88/59/348428859.db2.gz PBTRDGMFMAMWRK-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000596050207 348432476 /nfs/dbraw/zinc/43/24/76/348432476.db2.gz JAGFKUXSVPWTCP-JHJVBQTASA-N 1 0 249.358 2.366 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](C#N)CCC#N ZINC000419395657 192131356 /nfs/dbraw/zinc/13/13/56/192131356.db2.gz RAUWBRXQACGSMX-XQHKEYJVSA-N 1 0 219.332 2.406 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000596064085 348436161 /nfs/dbraw/zinc/43/61/61/348436161.db2.gz BEFXOKSIGXUDTN-DGCLKSJQSA-N 1 0 219.332 2.454 20 30 BEEDRO Cc1ccnc(N[C@H]2CCCC[C@H]2C[NH3+])c1C#N ZINC000135205189 179460706 /nfs/dbraw/zinc/46/07/06/179460706.db2.gz MEHGCDJQCDXUIN-AAEUAGOBSA-N 1 0 244.342 2.191 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCOCCF)CC2 ZINC000596092104 348444326 /nfs/dbraw/zinc/44/43/26/348444326.db2.gz AOJQGZDFZINAEG-AWEZNQCLSA-N 1 0 248.301 2.121 20 30 BEEDRO C[C@@H](C#N)CNc1[nH+]ccc2[nH]ccc21 ZINC000596143209 348450379 /nfs/dbraw/zinc/45/03/79/348450379.db2.gz QKZASOWWVIAIRO-QMMMGPOBSA-N 1 0 200.245 2.134 20 30 BEEDRO CCCC[N@H+](C)CCNc1nc(C#N)ccc1C ZINC000596123550 348454927 /nfs/dbraw/zinc/45/49/27/348454927.db2.gz OQVOPKVIEGTVQY-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(C(=O)OC)o1 ZINC000121158368 348475494 /nfs/dbraw/zinc/47/54/94/348475494.db2.gz BDPCQBWYGWCGAW-SECBINFHSA-N 1 0 223.272 2.245 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cccc(C#N)n1 ZINC000596308791 348492806 /nfs/dbraw/zinc/49/28/06/348492806.db2.gz VGGNNPKFEMKSCZ-GFCCVEGCSA-N 1 0 244.342 2.238 20 30 BEEDRO CN(CC1C[NH+](C)C1)c1cccc(Cl)c1C#N ZINC000596452364 348551731 /nfs/dbraw/zinc/55/17/31/348551731.db2.gz CBFFUTGGXTXTRJ-UHFFFAOYSA-N 1 0 249.745 2.209 20 30 BEEDRO Cc1ccc(C#N)nc1NCC[C@@H](C)[NH+](C)C ZINC000596430211 348544963 /nfs/dbraw/zinc/54/49/63/348544963.db2.gz KFFYFYZDMKSYBW-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@H](CCNc1cccc(F)c1C#N)[NH+](C)C ZINC000596424306 348528714 /nfs/dbraw/zinc/52/87/14/348528714.db2.gz HFQNMZHDWXEBSA-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)cc2F)CCOCC1 ZINC000159150831 348601898 /nfs/dbraw/zinc/60/18/98/348601898.db2.gz RXACCJYCBMBHED-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@H](C[C@H](C)[NH3+])NCC1(C#N)CCCCC1 ZINC000596650385 348606133 /nfs/dbraw/zinc/60/61/33/348606133.db2.gz HTLJYMFDYOPYSR-NWDGAFQWSA-N 1 0 223.364 2.176 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000596488927 348560000 /nfs/dbraw/zinc/56/00/00/348560000.db2.gz AQAPGBFQVPSBEG-BZPMIXESSA-N 1 0 232.327 2.043 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597055353 348653458 /nfs/dbraw/zinc/65/34/58/348653458.db2.gz IQTOAHWEOHWVHQ-RYUDHWBXSA-N 1 0 227.373 2.063 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597055354 348653735 /nfs/dbraw/zinc/65/37/35/348653735.db2.gz IQTOAHWEOHWVHQ-VXGBXAGGSA-N 1 0 227.373 2.063 20 30 BEEDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)C#N ZINC000597084317 348655071 /nfs/dbraw/zinc/65/50/71/348655071.db2.gz XYDPHAGANFJGTB-MNOVXSKESA-N 1 0 240.347 2.104 20 30 BEEDRO N#CC1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000597133282 348660598 /nfs/dbraw/zinc/66/05/98/348660598.db2.gz XHBVZIZYPPCPHV-CXTZMWEQSA-N 1 0 248.370 2.473 20 30 BEEDRO CC[N@H+](CCO)Cc1ccc(C2(C#N)CC2)cc1 ZINC000596977175 348638615 /nfs/dbraw/zinc/63/86/15/348638615.db2.gz ICDCGDDHEKKRFA-UHFFFAOYSA-N 1 0 244.338 2.056 20 30 BEEDRO N#Cc1ccc(CC[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000597176435 348669557 /nfs/dbraw/zinc/66/95/57/348669557.db2.gz FHXCVZYSPNQBHQ-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO CCSCC[NH2+]CCc1ccc(C#N)cc1 ZINC000597177213 348669642 /nfs/dbraw/zinc/66/96/42/348669642.db2.gz JLTFWHULFGOOLD-UHFFFAOYSA-N 1 0 234.368 2.443 20 30 BEEDRO C=CCOCCC[NH2+]CC1(SC)CCC1 ZINC000597211513 348679867 /nfs/dbraw/zinc/67/98/67/348679867.db2.gz ZZTDSJZQKXYCOS-UHFFFAOYSA-N 1 0 229.389 2.454 20 30 BEEDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cc(C#N)cs1)C2 ZINC000597212322 348680387 /nfs/dbraw/zinc/68/03/87/348680387.db2.gz UGYWSHKVGOOGQF-WCQYABFASA-N 1 0 248.351 2.088 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000597212594 348680651 /nfs/dbraw/zinc/68/06/51/348680651.db2.gz VUHFUDAINQQTMJ-JSGCOSHPSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cc(C#N)cs1)C2 ZINC000597212321 348680728 /nfs/dbraw/zinc/68/07/28/348680728.db2.gz UGYWSHKVGOOGQF-DGCLKSJQSA-N 1 0 248.351 2.088 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC(O)(C2CC2)C2CC2)C1 ZINC000597213551 348680843 /nfs/dbraw/zinc/68/08/43/348680843.db2.gz DBAPCRMIZVABFC-RISCZKNCSA-N 1 0 248.370 2.209 20 30 BEEDRO COCCC1C[NH+](Cc2ccc(C#N)c(C)c2)C1 ZINC000597184366 348683215 /nfs/dbraw/zinc/68/32/15/348683215.db2.gz SWTQZMKEKATIRJ-UHFFFAOYSA-N 1 0 244.338 2.335 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597241848 348686738 /nfs/dbraw/zinc/68/67/38/348686738.db2.gz IGFOWHMZZIKKJD-BJDJZHNGSA-N 1 0 225.332 2.128 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000597220515 348691590 /nfs/dbraw/zinc/69/15/90/348691590.db2.gz LCRIXEBJSCKRLH-NJMOYASZSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000597220299 348692087 /nfs/dbraw/zinc/69/20/87/348692087.db2.gz CFINHUMVNGDCBQ-NDBYEHHHSA-N 1 0 237.343 2.272 20 30 BEEDRO N#CC1(C[NH2+]C2CSC2)CCCCC1 ZINC000597225222 348695039 /nfs/dbraw/zinc/69/50/39/348695039.db2.gz PZTSDLUNXRWCPJ-UHFFFAOYSA-N 1 0 210.346 2.165 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000184669080 259404976 /nfs/dbraw/zinc/40/49/76/259404976.db2.gz WAGHREGVQJHWLE-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000184280237 348791494 /nfs/dbraw/zinc/79/14/94/348791494.db2.gz DIPZMVXJOQNVQW-OAUONFCTSA-N 1 0 217.312 2.226 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000184263420 348740205 /nfs/dbraw/zinc/74/02/05/348740205.db2.gz SYARBLHZYIZEQE-JTQLQIEISA-N 1 0 211.330 2.083 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000184268413 348755991 /nfs/dbraw/zinc/75/59/91/348755991.db2.gz ORDOPHUYPDZGOV-ZDUSSCGKSA-N 1 0 205.301 2.022 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1F ZINC000184269735 348756903 /nfs/dbraw/zinc/75/69/03/348756903.db2.gz ZNAWVLFCXUIVDT-LBPRGKRZSA-N 1 0 223.291 2.161 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(CC)cc1 ZINC000184272052 348761328 /nfs/dbraw/zinc/76/13/28/348761328.db2.gz YSLMTRLGGBOMQJ-AWEZNQCLSA-N 1 0 219.328 2.276 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000308825727 348762902 /nfs/dbraw/zinc/76/29/02/348762902.db2.gz RHWHZNXAOONMOI-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000054181161 348896565 /nfs/dbraw/zinc/89/65/65/348896565.db2.gz UDNFJLWIJBFCBH-NWDGAFQWSA-N 1 0 232.327 2.375 20 30 BEEDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598622590 349002660 /nfs/dbraw/zinc/00/26/60/349002660.db2.gz QWZHWFSKMONADR-RYUDHWBXSA-N 1 0 238.375 2.408 20 30 BEEDRO CCCC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598583833 348994594 /nfs/dbraw/zinc/99/45/94/348994594.db2.gz FAJWXWNQLBGRDR-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598585786 348995172 /nfs/dbraw/zinc/99/51/72/348995172.db2.gz AQUCDAKPJYTGHI-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CCCC1 ZINC000598588002 348995813 /nfs/dbraw/zinc/99/58/13/348995813.db2.gz WVNXTAPUVOGREI-LBPRGKRZSA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598587454 348995931 /nfs/dbraw/zinc/99/59/31/348995931.db2.gz QSEFQLHPPSMCDE-NWDGAFQWSA-N 1 0 226.364 2.263 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598588023 348996059 /nfs/dbraw/zinc/99/60/59/348996059.db2.gz XTGNHOLHKFIYOM-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO CCC[C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598590270 348996463 /nfs/dbraw/zinc/99/64/63/348996463.db2.gz UJLRPOFGSPHEBD-NWDGAFQWSA-N 1 0 226.364 2.408 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000598588987 348996744 /nfs/dbraw/zinc/99/67/44/348996744.db2.gz GEUNQRUHAOVOAS-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CCCC1 ZINC000598590215 348996891 /nfs/dbraw/zinc/99/68/91/348996891.db2.gz MLTBKTNNOAETIP-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO CCC[NH+](CCC)C[C@H](O)CC(C)(C)C#N ZINC000598590976 348997585 /nfs/dbraw/zinc/99/75/85/348997585.db2.gz XJRAVSQDDRAVTD-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1C ZINC000598592941 348998222 /nfs/dbraw/zinc/99/82/22/348998222.db2.gz OBEWXQXSAOXWAW-UPJWGTAASA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1C ZINC000598597483 348999644 /nfs/dbraw/zinc/99/96/44/348999644.db2.gz XSWBVWXZCSTMNR-UTUOFQBUSA-N 1 0 224.348 2.017 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598612167 348999810 /nfs/dbraw/zinc/99/98/10/348999810.db2.gz ZZKZHLKTAXRKSF-AGIUHOORSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598600224 349005607 /nfs/dbraw/zinc/00/56/07/349005607.db2.gz IPEHPGISUFGBCE-SRVKXCTJSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1C ZINC000598600608 349005844 /nfs/dbraw/zinc/00/58/44/349005844.db2.gz PAADDBNXTHMMCA-FRRDWIJNSA-N 1 0 238.375 2.265 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1ccccn1 ZINC000598604069 349006077 /nfs/dbraw/zinc/00/60/77/349006077.db2.gz PADZNCRUYUVBCB-NWDGAFQWSA-N 1 0 247.342 2.033 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000598601956 349006385 /nfs/dbraw/zinc/00/63/85/349006385.db2.gz XZJBVOZWDACCKO-CHWSQXEVSA-N 1 0 236.359 2.019 20 30 BEEDRO CC1(C)CC[C@@H](CO)[N@H+](CCCCC#N)C1 ZINC000598646939 349010245 /nfs/dbraw/zinc/01/02/45/349010245.db2.gz IIPDGSHLQKUXTC-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1CO ZINC000598645910 349010491 /nfs/dbraw/zinc/01/04/91/349010491.db2.gz QDSRQXIQQOCNDJ-WFASDCNBSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1CO ZINC000598645909 349010572 /nfs/dbraw/zinc/01/05/72/349010572.db2.gz QDSRQXIQQOCNDJ-SWLSCSKDSA-N 1 0 244.338 2.009 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000308872521 349014957 /nfs/dbraw/zinc/01/49/57/349014957.db2.gz LCRIXEBJSCKRLH-KVSVUVNWSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1CO ZINC000598678092 349021132 /nfs/dbraw/zinc/02/11/32/349021132.db2.gz WTANLGAIYOQJSM-CHWSQXEVSA-N 1 0 238.375 2.267 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000598704231 349022381 /nfs/dbraw/zinc/02/23/81/349022381.db2.gz MUBXXHWVHIBXKR-ZDUSSCGKSA-N 1 0 232.327 2.077 20 30 BEEDRO CCC[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598704431 349022531 /nfs/dbraw/zinc/02/25/31/349022531.db2.gz PCTGIYFOOZELBI-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO CC[C@@H](C)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598703663 349022578 /nfs/dbraw/zinc/02/25/78/349022578.db2.gz CAEZNQYSWOFHCV-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598704430 349022677 /nfs/dbraw/zinc/02/26/77/349022677.db2.gz PCTGIYFOOZELBI-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(CC2CC2)C1 ZINC000598706238 349023209 /nfs/dbraw/zinc/02/32/09/349023209.db2.gz PRVYZGZTUHLHKQ-CYBMUJFWSA-N 1 0 236.359 2.019 20 30 BEEDRO CCC1(C)C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598707864 349023867 /nfs/dbraw/zinc/02/38/67/349023867.db2.gz ZSSFUIJREUBOOG-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO CCC[C@H](CC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721108 349027629 /nfs/dbraw/zinc/02/76/29/349027629.db2.gz SJNLZPOAEBZISO-RYUDHWBXSA-N 1 0 226.364 2.455 20 30 BEEDRO CCC(CC)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721745 349028265 /nfs/dbraw/zinc/02/82/65/349028265.db2.gz ZAHFZRAJANIZPF-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@H](CSC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598723655 349028836 /nfs/dbraw/zinc/02/88/36/349028836.db2.gz JIZFGBGTAYHCRQ-MNOVXSKESA-N 1 0 244.404 2.018 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC000598726074 349029405 /nfs/dbraw/zinc/02/94/05/349029405.db2.gz QXOMCYSTHGOCFU-VHSXEESVSA-N 1 0 246.301 2.065 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598728149 349030594 /nfs/dbraw/zinc/03/05/94/349030594.db2.gz OBSULMAOPOYBQD-BZPMIXESSA-N 1 0 238.375 2.311 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@@H]1CC1(F)F ZINC000598728589 349030618 /nfs/dbraw/zinc/03/06/18/349030618.db2.gz DARBBICRDIXIFG-NXEZZACHSA-N 1 0 227.258 2.065 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@H]1CC1(F)F ZINC000598728592 349030668 /nfs/dbraw/zinc/03/06/68/349030668.db2.gz DARBBICRDIXIFG-ZJUUUORDSA-N 1 0 227.258 2.065 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598701538 349034159 /nfs/dbraw/zinc/03/41/59/349034159.db2.gz WUBPHULKWBGAAG-AGIUHOORSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598701541 349034188 /nfs/dbraw/zinc/03/41/88/349034188.db2.gz WUBPHULKWBGAAG-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO CCn1ccnc1[C@H](C)NC(=O)[C@@](C)(C#N)CC ZINC000598739037 349035916 /nfs/dbraw/zinc/03/59/16/349035916.db2.gz UTFCVPOPTZQEHF-GXFFZTMASA-N 1 0 248.330 2.020 20 30 BEEDRO CCC[C@@H](C[NH2+]Cc1ccc(C#N)o1)OCC ZINC000598989970 349072406 /nfs/dbraw/zinc/07/24/06/349072406.db2.gz YACYEBAWJQMNSL-LBPRGKRZSA-N 1 0 236.315 2.446 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000599008843 349075191 /nfs/dbraw/zinc/07/51/91/349075191.db2.gz JBZJRSODWGAYGG-AAEUAGOBSA-N 1 0 248.351 2.277 20 30 BEEDRO CN(CC[NH2+]CC(C)(C)CCC#N)CC(F)F ZINC000599023635 349077952 /nfs/dbraw/zinc/07/79/52/349077952.db2.gz WHLOCJMQQQOLAP-UHFFFAOYSA-N 1 0 247.333 2.103 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000599036505 349080585 /nfs/dbraw/zinc/08/05/85/349080585.db2.gz SXTYNBMEQDPXHL-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000599016324 349082041 /nfs/dbraw/zinc/08/20/41/349082041.db2.gz QIUIOHFQALMESM-HDJSIYSDSA-N 1 0 230.311 2.134 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCCO1 ZINC000599048850 349082878 /nfs/dbraw/zinc/08/28/78/349082878.db2.gz LEBFWJRYBRAFMU-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCCO1 ZINC000599048851 349083025 /nfs/dbraw/zinc/08/30/25/349083025.db2.gz LEBFWJRYBRAFMU-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000599054713 349084487 /nfs/dbraw/zinc/08/44/87/349084487.db2.gz MPEITHTVYZALHI-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000599068768 349087369 /nfs/dbraw/zinc/08/73/69/349087369.db2.gz OZFAIOMXWZBEIJ-FRRDWIJNSA-N 1 0 224.348 2.065 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CO[C@H](C3CC3)C2)C1 ZINC000599084681 349089620 /nfs/dbraw/zinc/08/96/20/349089620.db2.gz FDOSTCJYPOVZPX-CABNGKKXSA-N 1 0 234.343 2.226 20 30 BEEDRO CCC(CC)[NH2+]CCNc1ncccc1C#N ZINC000599098180 349093964 /nfs/dbraw/zinc/09/39/64/349093964.db2.gz QCZMMUCQCAVKOJ-UHFFFAOYSA-N 1 0 232.331 2.143 20 30 BEEDRO C[N@@H+]1CCCC[C@H](CNc2ncccc2C#N)C1 ZINC000599139023 349098179 /nfs/dbraw/zinc/09/81/79/349098179.db2.gz MONZZRZWYNTGEO-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1C[NH+]1CCN(CC#N)CC1 ZINC000598894971 349058700 /nfs/dbraw/zinc/05/87/00/349058700.db2.gz LOKAYIWVILNAFL-CABCVRRESA-N 1 0 249.402 2.344 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN(CC#N)CC1 ZINC000598894976 349059032 /nfs/dbraw/zinc/05/90/32/349059032.db2.gz LOKAYIWVILNAFL-HUUCEWRRSA-N 1 0 249.402 2.344 20 30 BEEDRO Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1C#N ZINC000599296279 349149828 /nfs/dbraw/zinc/14/98/28/349149828.db2.gz OYFLCSHYUSXIBX-ZDUSSCGKSA-N 1 0 246.354 2.458 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C)c(C#N)c2)CC1 ZINC000599251400 349131817 /nfs/dbraw/zinc/13/18/17/349131817.db2.gz VOLVYWLOPGJCGI-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO C[C@H](NCc1cccc(C#N)c1)[C@@H]1CCCC[NH2+]1 ZINC000386088862 362939093 /nfs/dbraw/zinc/93/90/93/362939093.db2.gz HVCYWBRJGWURNB-WFASDCNBSA-N 1 0 243.354 2.178 20 30 BEEDRO CCO[C@@H](C[N@H+](CC)C[C@H](C)C#N)C1CC1 ZINC000599276630 349138445 /nfs/dbraw/zinc/13/84/45/349138445.db2.gz CLZJRTLNIOCEFC-YPMHNXCESA-N 1 0 224.348 2.283 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000599427075 349185305 /nfs/dbraw/zinc/18/53/05/349185305.db2.gz YNAPOAVGWMGGFZ-CLRIEMFWSA-N 1 0 248.370 2.209 20 30 BEEDRO COC[C@H]1CC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599427034 349185388 /nfs/dbraw/zinc/18/53/88/349185388.db2.gz DIOYKGGRXVFTJQ-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1C#N ZINC000599356221 349158209 /nfs/dbraw/zinc/15/82/09/349158209.db2.gz BWSJSNQOJRVLPH-CQSZACIVSA-N 1 0 246.354 2.363 20 30 BEEDRO CCO[C@H](C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000599365091 349160941 /nfs/dbraw/zinc/16/09/41/349160941.db2.gz CJLQFASUCDDDKP-CYBMUJFWSA-N 1 0 236.359 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2.342 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000427868893 191097749 /nfs/dbraw/zinc/09/77/49/191097749.db2.gz BKEOWDZDWZKMLZ-AVGNSLFASA-N 1 0 233.359 2.388 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(OC)nc1 ZINC000336651286 350419119 /nfs/dbraw/zinc/41/91/19/350419119.db2.gz UZENWAUPDXMIEG-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336687983 350444158 /nfs/dbraw/zinc/44/41/58/350444158.db2.gz YCBLZLKKOFBJGD-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO N#CCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000336689510 350445090 /nfs/dbraw/zinc/44/50/90/350445090.db2.gz ZHZSDGRTFOWGJE-CYBMUJFWSA-N 1 0 222.332 2.324 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336703704 350454623 /nfs/dbraw/zinc/45/46/23/350454623.db2.gz MGIGGFDNKJHEAF-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336701688 350458090 /nfs/dbraw/zinc/45/80/90/350458090.db2.gz LVEJKPXSPQVIFG-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)(C)C[N@H+](CCC#N)C[C@@H]1CCOC1 ZINC000336682305 350441003 /nfs/dbraw/zinc/44/10/03/350441003.db2.gz RHCOBCRDOQCVFE-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO N#CCCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336731267 350487072 /nfs/dbraw/zinc/48/70/72/350487072.db2.gz RCEJOTPSMXXQSR-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCCC#N ZINC000163152139 350507717 /nfs/dbraw/zinc/50/77/17/350507717.db2.gz JBYAMFLPHMBFIL-CHWSQXEVSA-N 1 0 224.348 2.306 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623541883 362961576 /nfs/dbraw/zinc/96/15/76/362961576.db2.gz BRFPBGQLAYZCTO-SAXRGWBVSA-N 1 0 223.360 2.338 20 30 BEEDRO C=CCCCCC[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000361565058 323356079 /nfs/dbraw/zinc/35/60/79/323356079.db2.gz OPGPFBLPOVKXBC-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO CCSCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336644226 350548426 /nfs/dbraw/zinc/54/84/26/350548426.db2.gz AGAXDTUSHJQCLV-MNOVXSKESA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000263809411 166327704 /nfs/dbraw/zinc/32/77/04/166327704.db2.gz SZEQOLLDXYNGJN-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)C[NH+]1CCC(C)CC1 ZINC000337102927 350554000 /nfs/dbraw/zinc/55/40/00/350554000.db2.gz XOUBOCXWTSTVPT-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN(CC=C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000261566184 166328484 /nfs/dbraw/zinc/32/84/84/166328484.db2.gz YSZKPDSWGXNQES-CHWSQXEVSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CCN(CC=C)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000261566186 166329162 /nfs/dbraw/zinc/32/91/62/166329162.db2.gz YSZKPDSWGXNQES-QWHCGFSZSA-N 1 0 236.359 2.095 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000289888407 350674867 /nfs/dbraw/zinc/67/48/67/350674867.db2.gz SKRPNTIXBIOXTN-QWHCGFSZSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CC[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC000051400776 350703166 /nfs/dbraw/zinc/70/31/66/350703166.db2.gz RNMRWEBCENHFNE-UHFFFAOYSA-N 1 0 233.311 2.238 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000384970083 350684496 /nfs/dbraw/zinc/68/44/96/350684496.db2.gz PBTCANKZVDVMTK-UHFFFAOYSA-N 1 0 232.327 2.087 20 30 BEEDRO C=CCSCC[NH2+]Cc1cncs1 ZINC000124258096 350687698 /nfs/dbraw/zinc/68/76/98/350687698.db2.gz JTEAWQVGJXECTJ-UHFFFAOYSA-N 1 0 214.359 2.152 20 30 BEEDRO C[N@H+](CCCOc1cccc(C#N)c1)C1CC1 ZINC000034674470 350735831 /nfs/dbraw/zinc/73/58/31/350735831.db2.gz SAAXFRCWHWHCBX-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO CC#CCN(C)Cc1nnc(-c2ccccc2)o1 ZINC000339750447 350817898 /nfs/dbraw/zinc/81/78/98/350817898.db2.gz COBWRHURNFPFAT-UHFFFAOYSA-N 1 0 241.294 2.192 20 30 BEEDRO CC#CC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000339754577 350818661 /nfs/dbraw/zinc/81/86/61/350818661.db2.gz RWYCILOQRIGLIE-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000339754543 350818953 /nfs/dbraw/zinc/81/89/53/350818953.db2.gz QUDSUXBMJGEWJO-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CCCO1 ZINC000309553811 350775533 /nfs/dbraw/zinc/77/55/33/350775533.db2.gz JBKKIYPHSKSBBV-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1cc([C@H]2CCC[N@@H+]2CCCC#N)on1 ZINC000052010008 350908274 /nfs/dbraw/zinc/90/82/74/350908274.db2.gz KSVRYXYZIVFMRQ-LLVKDONJSA-N 1 0 219.288 2.424 20 30 BEEDRO C=CCCN[C@@](C)(c1noc(C)n1)C1CC1 ZINC000336683275 350911145 /nfs/dbraw/zinc/91/11/45/350911145.db2.gz QBTCFZWFVCOOJH-GFCCVEGCSA-N 1 0 221.304 2.169 20 30 BEEDRO C[NH2+]CCSCc1cc(F)ccc1C#N ZINC000382659221 350941580 /nfs/dbraw/zinc/94/15/80/350941580.db2.gz OCHWRDYJXWYSED-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(F)c(F)c1 ZINC000052131502 350936557 /nfs/dbraw/zinc/93/65/57/350936557.db2.gz NZVXPYUMOSQCNA-UHFFFAOYSA-N 1 0 209.239 2.420 20 30 BEEDRO CCSCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397669933 350959467 /nfs/dbraw/zinc/95/94/67/350959467.db2.gz HQXOHNHBUHCQJZ-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CS1 ZINC000397907587 350988565 /nfs/dbraw/zinc/98/85/65/350988565.db2.gz YGIZPZVSXAEJOX-UWVGGRQHSA-N 1 0 210.346 2.164 20 30 BEEDRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397591802 350950391 /nfs/dbraw/zinc/95/03/91/350950391.db2.gz CFEJLRRNSBXKGM-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397591800 350950426 /nfs/dbraw/zinc/95/04/26/350950426.db2.gz CFEJLRRNSBXKGM-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000129197643 351006957 /nfs/dbraw/zinc/00/69/57/351006957.db2.gz AWDRAWWRDDMCRL-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO COCC[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397603581 350956818 /nfs/dbraw/zinc/95/68/18/350956818.db2.gz MNBXADDPZMUWOP-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccnc(C)c1 ZINC000623569480 362998643 /nfs/dbraw/zinc/99/86/43/362998643.db2.gz IRURREQEKPHQNO-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=CC1CC[NH+](CCOCC(F)(F)F)CC1 ZINC000111256409 191130305 /nfs/dbraw/zinc/13/03/05/191130305.db2.gz DSSWNNFCEPXEKN-UHFFFAOYSA-N 1 0 237.265 2.463 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NCCCC)CC1 ZINC000111256975 191130309 /nfs/dbraw/zinc/13/03/09/191130309.db2.gz WVXSFNGAVSPQBH-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)CCCC ZINC000052877697 351076709 /nfs/dbraw/zinc/07/67/09/351076709.db2.gz PIMPJWMOUTTWME-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336711637 351080182 /nfs/dbraw/zinc/08/01/82/351080182.db2.gz UMKLYZUTLZSCHW-YIZRAAEISA-N 1 0 223.238 2.260 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336711634 351080489 /nfs/dbraw/zinc/08/04/89/351080489.db2.gz UMKLYZUTLZSCHW-CIUDSAMLSA-N 1 0 223.238 2.260 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC000623584309 363018290 /nfs/dbraw/zinc/01/82/90/363018290.db2.gz ZVSIPQKGEJXKSK-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631126214 351336239 /nfs/dbraw/zinc/33/62/39/351336239.db2.gz HHELGVAGLYVFKC-NSHDSACASA-N 1 0 206.289 2.232 20 30 BEEDRO C=CC[NH2+]CCN(Cc1ccccc1)C1CC1 ZINC000306874977 351268550 /nfs/dbraw/zinc/26/85/50/351268550.db2.gz FMDCUEQWHGBAII-UHFFFAOYSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cncn1C ZINC000623592724 363028892 /nfs/dbraw/zinc/02/88/92/363028892.db2.gz ZUUADLACOHMLLM-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000231941000 351475165 /nfs/dbraw/zinc/47/51/65/351475165.db2.gz FMFZILIMDQZEII-ZDUSSCGKSA-N 1 0 243.416 2.436 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(CO)cc1 ZINC000231941811 351475742 /nfs/dbraw/zinc/47/57/42/351475742.db2.gz ZBQVMIJRDMNFPO-UHFFFAOYSA-N 1 0 237.368 2.188 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)c1ccc(C#N)cc1)[C@H](C)O ZINC000386826732 363048373 /nfs/dbraw/zinc/04/83/73/363048373.db2.gz HCENSNGTCLWPFN-SUNKGSAMSA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1cnn(C)c1 ZINC000273396943 351527192 /nfs/dbraw/zinc/52/71/92/351527192.db2.gz PYRKOALXXMEYGY-SNVBAGLBSA-N 1 0 220.320 2.011 20 30 BEEDRO CCn1cc([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000274645161 351575831 /nfs/dbraw/zinc/57/58/31/351575831.db2.gz RVWJEMSMSXPMRL-GVXVVHGQSA-N 1 0 232.331 2.246 20 30 BEEDRO Cc1nc(C)c(CO[NH+]=C(N)C(C)C)s1 ZINC000274747828 351580641 /nfs/dbraw/zinc/58/06/41/351580641.db2.gz PAAATZKKZNREGP-UHFFFAOYSA-N 1 0 227.333 2.205 20 30 BEEDRO CCC(N)=[NH+]OCc1cc(F)ccc1C ZINC000275776683 351605938 /nfs/dbraw/zinc/60/59/38/351605938.db2.gz WYAVHXMFXGTCJP-UHFFFAOYSA-N 1 0 210.252 2.333 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CCc1nccs1 ZINC000276288046 351614770 /nfs/dbraw/zinc/61/47/70/351614770.db2.gz HCYLPQQTFGBYMQ-SNVBAGLBSA-N 1 0 223.345 2.310 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000336732972 351707241 /nfs/dbraw/zinc/70/72/41/351707241.db2.gz SRJBUHNZPJZZAE-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000072924784 351765382 /nfs/dbraw/zinc/76/53/82/351765382.db2.gz UCYHUKUOGMLGKY-AWEZNQCLSA-N 1 0 232.327 2.319 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H](C)[NH2+]CC)c1 ZINC000637948683 351822968 /nfs/dbraw/zinc/82/29/68/351822968.db2.gz PZZKRVUDGSOJBF-NSHDSACASA-N 1 0 248.326 2.188 20 30 BEEDRO C=CCCCCCN(C)C(=O)CCC1C[NH2+]C1 ZINC000638008873 351884297 /nfs/dbraw/zinc/88/42/97/351884297.db2.gz XFVHDNZXJFVUCK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCSCC[NH2+]CC1(C#N)CCCC1 ZINC000405148262 351959623 /nfs/dbraw/zinc/95/96/23/351959623.db2.gz ZCEOPTPTIWJMCX-UHFFFAOYSA-N 1 0 212.362 2.413 20 30 BEEDRO C=C(C)C[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000340193276 352003016 /nfs/dbraw/zinc/00/30/16/352003016.db2.gz XKYTYTZGSQJSCZ-VHSXEESVSA-N 1 0 237.265 2.340 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000285679802 352055634 /nfs/dbraw/zinc/05/56/34/352055634.db2.gz NEECOPUTNGXZBL-LBPRGKRZSA-N 1 0 248.326 2.056 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000285168164 352026555 /nfs/dbraw/zinc/02/65/55/352026555.db2.gz MTWYDWSDYIFDNV-MDZLAQPJSA-N 1 0 235.331 2.042 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cn[nH]c1 ZINC000285349127 352037729 /nfs/dbraw/zinc/03/77/29/352037729.db2.gz VEHVACYLHXFAAW-UNXYVOJBSA-N 1 0 232.331 2.390 20 30 BEEDRO C=C(CNC(=[NH2+])N[C@H](C)CC)c1ccccc1 ZINC000287236800 352118576 /nfs/dbraw/zinc/11/85/76/352118576.db2.gz OKCYQMXIGDMDIB-GFCCVEGCSA-N 1 0 231.343 2.403 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000286223127 352082281 /nfs/dbraw/zinc/08/22/81/352082281.db2.gz RABCDPYHSCQTMD-UHFFFAOYSA-N 1 0 242.322 2.433 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287909705 352136094 /nfs/dbraw/zinc/13/60/94/352136094.db2.gz VJFLFPMSYMUTAS-OAHLLOKOSA-N 1 0 244.338 2.086 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccccn1 ZINC000618887488 352161168 /nfs/dbraw/zinc/16/11/68/352161168.db2.gz AMEHDPDSIBYWBT-LBPRGKRZSA-N 1 0 217.316 2.453 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000618888493 352166668 /nfs/dbraw/zinc/16/66/68/352166668.db2.gz ZSQUBDWCPAIVTG-SYQHCUMBSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CCc1ccncc1 ZINC000618888405 352166756 /nfs/dbraw/zinc/16/67/56/352166756.db2.gz XJJJUTVNCMUNDV-CYBMUJFWSA-N 1 0 231.343 2.496 20 30 BEEDRO N#CCCC[N@@H+]1CCCc2occc2C1 ZINC000288922177 352167678 /nfs/dbraw/zinc/16/76/78/352167678.db2.gz VEHRKFOQGHMIIR-UHFFFAOYSA-N 1 0 204.273 2.332 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C[C@@H]1C ZINC000613333435 363113057 /nfs/dbraw/zinc/11/30/57/363113057.db2.gz QFSRFFJYDOTDNW-IPYPFGDCSA-N 1 0 249.402 2.389 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)cc1 ZINC000290153456 352212003 /nfs/dbraw/zinc/21/20/03/352212003.db2.gz LHIDVLKDKSMXPG-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000336611841 352215035 /nfs/dbraw/zinc/21/50/35/352215035.db2.gz FLXRCZAYKZUBIH-IUCAKERBSA-N 1 0 205.223 2.282 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000230690507 352256907 /nfs/dbraw/zinc/25/69/07/352256907.db2.gz CPPHUKLBGHKIIN-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO CCCC[C@H](C[NH3+])Nc1c(C#N)cccc1C#N ZINC000420205619 192174763 /nfs/dbraw/zinc/17/47/63/192174763.db2.gz NQHQAUYNUCJGHQ-CYBMUJFWSA-N 1 0 242.326 2.359 20 30 BEEDRO C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCCC#N ZINC000613388433 363153889 /nfs/dbraw/zinc/15/38/89/363153889.db2.gz ACRBLVYDJFUWGQ-GXTWGEPZSA-N 1 0 232.327 2.044 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000638454882 352264448 /nfs/dbraw/zinc/26/44/48/352264448.db2.gz MZDDFMBEZRNWCT-VXGBXAGGSA-N 1 0 240.391 2.324 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000638454900 352264455 /nfs/dbraw/zinc/26/44/55/352264455.db2.gz NNLCQROJPVFNIZ-MNOVXSKESA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C(CC)(CC)C[NH3+] ZINC000638455121 352265431 /nfs/dbraw/zinc/26/54/31/352265431.db2.gz QZCCGNUFLYYRNW-UHFFFAOYSA-N 1 0 240.391 2.470 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000638455489 352266137 /nfs/dbraw/zinc/26/61/37/352266137.db2.gz VZRANELCPUJBOC-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CCSc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000291836294 352291552 /nfs/dbraw/zinc/29/15/52/352291552.db2.gz DLSLARBZGYGCNY-UHFFFAOYSA-N 1 0 249.383 2.365 20 30 BEEDRO C=CCN(CCC#N)CCOC(C)(C)C ZINC000292109087 352303143 /nfs/dbraw/zinc/30/31/43/352303143.db2.gz GZVZZTCKFHSEKR-UHFFFAOYSA-N 1 0 210.321 2.203 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638491746 352303265 /nfs/dbraw/zinc/30/32/65/352303265.db2.gz IZAJTMFARAWUHH-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638491748 352303478 /nfs/dbraw/zinc/30/34/78/352303478.db2.gz IZAJTMFARAWUHH-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCCC ZINC001640016512 1172149566 /nfs/dbraw/zinc/14/95/66/1172149566.db2.gz YLNSLCFILNQVRN-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189262534 363174810 /nfs/dbraw/zinc/17/48/10/363174810.db2.gz ISSPQQDINLZMDO-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)CCC#N)C[C@@H](C)O1 ZINC000411257218 191172353 /nfs/dbraw/zinc/17/23/53/191172353.db2.gz KDBCKGPTHGSVDR-QJPTWQEYSA-N 1 0 210.321 2.178 20 30 BEEDRO CCOC[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411277041 191174385 /nfs/dbraw/zinc/17/43/85/191174385.db2.gz HMYZUIHCOPDMPJ-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCCC[C@@H]2CCO)c1 ZINC000019477000 187666072 /nfs/dbraw/zinc/66/60/72/187666072.db2.gz SRRMHMPVWSBUIY-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000411298215 191175305 /nfs/dbraw/zinc/17/53/05/191175305.db2.gz JCMBMLAFCIHECA-ZFWWWQNUSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000411315653 191177534 /nfs/dbraw/zinc/17/75/34/191177534.db2.gz UTEHAJGNZWKEJF-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411315731 191177627 /nfs/dbraw/zinc/17/76/27/191177627.db2.gz JKKIZNSCZVCTMW-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@H]1O ZINC000411449652 191187069 /nfs/dbraw/zinc/18/70/69/191187069.db2.gz XMBJABLDOOSYRW-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H](NCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519123 191191336 /nfs/dbraw/zinc/19/13/36/191191336.db2.gz REPVMDJTWICKMB-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000093107761 352396304 /nfs/dbraw/zinc/39/63/04/352396304.db2.gz IEVRFBBQABWLLO-CYBMUJFWSA-N 1 0 238.375 2.411 20 30 BEEDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411659757 191201894 /nfs/dbraw/zinc/20/18/94/191201894.db2.gz QCPZMWHYEYKIKQ-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411659755 191201948 /nfs/dbraw/zinc/20/19/48/191201948.db2.gz QCPZMWHYEYKIKQ-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000411699215 191204006 /nfs/dbraw/zinc/20/40/06/191204006.db2.gz YGZLOVJPTXVRIK-RKDXNWHRSA-N 1 0 218.247 2.040 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@H](CO)c1ccsc1 ZINC000411537978 191192331 /nfs/dbraw/zinc/19/23/31/191192331.db2.gz AONMCXVKYNUNBW-GXSJLCMTSA-N 1 0 224.329 2.063 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CCC#N)C1(CC)CC ZINC000411549587 191194105 /nfs/dbraw/zinc/19/41/05/191194105.db2.gz HNOOUWUZQQSNFT-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000411797102 191212275 /nfs/dbraw/zinc/21/22/75/191212275.db2.gz TVDQWTZSFGDLGF-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccccc1C#N)C(C)C ZINC000203649465 352453205 /nfs/dbraw/zinc/45/32/05/352453205.db2.gz QXSXKEJMWYGIDM-AWEZNQCLSA-N 1 0 232.327 2.319 20 30 BEEDRO CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)OC ZINC000336742591 352458081 /nfs/dbraw/zinc/45/80/81/352458081.db2.gz XDDOKTMTFTZUGZ-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1cncs1 ZINC000411781853 191209897 /nfs/dbraw/zinc/20/98/97/191209897.db2.gz CULADMBCDKFEFH-NEPJUHHUSA-N 1 0 238.356 2.009 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@H](C)CCC#N)CC1(C)C ZINC000411787667 191211420 /nfs/dbraw/zinc/21/14/20/191211420.db2.gz LECIFYSWOYCPQH-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000411790879 191211497 /nfs/dbraw/zinc/21/14/97/191211497.db2.gz HEBCPFDUHIPBLU-SYQHCUMBSA-N 1 0 236.359 2.304 20 30 BEEDRO CCO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C[C@H]1C ZINC000411791704 191212035 /nfs/dbraw/zinc/21/20/35/191212035.db2.gz HLHPRMDSLRJEBV-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@@H](C)CCC#N)CC1(C)C ZINC000411787669 191212069 /nfs/dbraw/zinc/21/20/69/191212069.db2.gz LECIFYSWOYCPQH-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000361742487 133903322 /nfs/dbraw/zinc/90/33/22/133903322.db2.gz FXSZBGWSWNJGGV-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+][C@H](C)CCC#N)cn1 ZINC000411805570 191213666 /nfs/dbraw/zinc/21/36/66/191213666.db2.gz UIQQOWZLRSIHHP-GHMZBOCLSA-N 1 0 220.320 2.246 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411838075 191216714 /nfs/dbraw/zinc/21/67/14/191216714.db2.gz BWPIJPRCKHMJES-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO COC[C@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000411865666 191224119 /nfs/dbraw/zinc/22/41/19/191224119.db2.gz HRWBHFFIPUKNHI-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO N#CCCCC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411874667 191226336 /nfs/dbraw/zinc/22/63/36/191226336.db2.gz MSYCLUOWBTWMQZ-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCCC[N@H+]1CCCc2c(cnn2C)C1 ZINC000411852633 191220430 /nfs/dbraw/zinc/22/04/30/191220430.db2.gz ZUBVFLZCSJFBTE-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411853780 191220437 /nfs/dbraw/zinc/22/04/37/191220437.db2.gz SLXQFAIYMWIGBM-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411853779 191220574 /nfs/dbraw/zinc/22/05/74/191220574.db2.gz SLXQFAIYMWIGBM-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411854766 191220613 /nfs/dbraw/zinc/22/06/13/191220613.db2.gz UADNLCJCQQKKPJ-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638757027 352687826 /nfs/dbraw/zinc/68/78/26/352687826.db2.gz GVBBOJVRTHUERO-ZJUUUORDSA-N 1 0 219.275 2.212 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638757025 352687992 /nfs/dbraw/zinc/68/79/92/352687992.db2.gz GVBBOJVRTHUERO-UWVGGRQHSA-N 1 0 219.275 2.212 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cc(C2CC2)no1 ZINC000638758570 352694598 /nfs/dbraw/zinc/69/45/98/352694598.db2.gz YLIQBNCCWYTBRF-UHFFFAOYSA-N 1 0 236.315 2.234 20 30 BEEDRO C=CCN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000411993547 191235422 /nfs/dbraw/zinc/23/54/22/191235422.db2.gz XBVUSEXNHYLZLO-CQSZACIVSA-N 1 0 230.355 2.379 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000412019049 191236817 /nfs/dbraw/zinc/23/68/17/191236817.db2.gz DGZDIPQRCUXIEG-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO N#CCCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411936606 191230085 /nfs/dbraw/zinc/23/00/85/191230085.db2.gz ISLGDBQSKHMWEH-LSDHHAIUSA-N 1 0 244.338 2.488 20 30 BEEDRO N#CCCCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411936601 191230472 /nfs/dbraw/zinc/23/04/72/191230472.db2.gz ISLGDBQSKHMWEH-CABCVRRESA-N 1 0 244.338 2.488 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638749467 352683323 /nfs/dbraw/zinc/68/33/23/352683323.db2.gz PUDNKJXBLNOJJJ-GHMZBOCLSA-N 1 0 220.316 2.185 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000638756851 352686572 /nfs/dbraw/zinc/68/65/72/352686572.db2.gz DDCXBKKQHFSWDK-STQMWFEESA-N 1 0 229.364 2.230 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](N2CCCC2=O)CC1 ZINC000412054747 191245163 /nfs/dbraw/zinc/24/51/63/191245163.db2.gz JFHFHNBZNOOMJE-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](N2CCCC2=O)CC1 ZINC000412054746 191245268 /nfs/dbraw/zinc/24/52/68/191245268.db2.gz JFHFHNBZNOOMJE-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000430590847 352746784 /nfs/dbraw/zinc/74/67/84/352746784.db2.gz MBPRASMSDHHJQI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000412071982 191252249 /nfs/dbraw/zinc/25/22/49/191252249.db2.gz HCXFTIZPKXIGQV-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000334235469 352852318 /nfs/dbraw/zinc/85/23/18/352852318.db2.gz KIDOZWMDIUCDLJ-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000334239029 352857806 /nfs/dbraw/zinc/85/78/06/352857806.db2.gz KLGNTUIVVSNYRJ-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1CCC(C)(C)C#N ZINC000412083489 191255503 /nfs/dbraw/zinc/25/55/03/191255503.db2.gz NDYNIKIJYUISIR-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cc[nH+]cc2C)CC1 ZINC000191980854 363197968 /nfs/dbraw/zinc/19/79/68/363197968.db2.gz QLCVMUNNXBISGJ-UHFFFAOYSA-N 1 0 231.343 2.452 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CCN1CCC(C)(C#N)CC1 ZINC000334252834 352889771 /nfs/dbraw/zinc/88/97/71/352889771.db2.gz BYQAAZPYJCPYJD-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CCCN1CCS[C@H]2CCCC[C@@H]21 ZINC000334266669 352902371 /nfs/dbraw/zinc/90/23/71/352902371.db2.gz NVNFZNFOSWLLLZ-QWRGUYRKSA-N 1 0 210.346 2.260 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638812449 352990532 /nfs/dbraw/zinc/99/05/32/352990532.db2.gz ZEKAZGAJSQQFHF-NXEZZACHSA-N 1 0 219.275 2.212 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)CCCC ZINC000336748067 352954174 /nfs/dbraw/zinc/95/41/74/352954174.db2.gz XTAOYBYLQGKVNU-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO N#CC1(CN2CCc3cccc(F)c3C2)CC1 ZINC000334323030 352960145 /nfs/dbraw/zinc/96/01/45/352960145.db2.gz YUWNMPJNOVVPLF-UHFFFAOYSA-N 1 0 230.286 2.488 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC#N)C1 ZINC000334331924 352968662 /nfs/dbraw/zinc/96/86/62/352968662.db2.gz QHZLHGWHXISYJV-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638836229 353021667 /nfs/dbraw/zinc/02/16/67/353021667.db2.gz DFXHAOATFGULJO-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000334360441 353008659 /nfs/dbraw/zinc/00/86/59/353008659.db2.gz ZATZJNDTRICQOR-CYBMUJFWSA-N 1 0 217.316 2.326 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CCc1ccc(C)cc1 ZINC000638829856 353008754 /nfs/dbraw/zinc/00/87/54/353008754.db2.gz KFNGBARUFBQVBC-HNNXBMFYSA-N 1 0 233.355 2.312 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CCc1ccc(C)cc1 ZINC000638829858 353008840 /nfs/dbraw/zinc/00/88/40/353008840.db2.gz KFNGBARUFBQVBC-OAHLLOKOSA-N 1 0 233.355 2.312 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccnc(C)n1 ZINC000334360442 353008940 /nfs/dbraw/zinc/00/89/40/353008940.db2.gz ZATZJNDTRICQOR-ZDUSSCGKSA-N 1 0 217.316 2.326 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000336751493 353060417 /nfs/dbraw/zinc/06/04/17/353060417.db2.gz GJSNIADKQZDSGP-AVGNSLFASA-N 1 0 210.365 2.271 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc(CCOC)s1 ZINC000638910422 353066985 /nfs/dbraw/zinc/06/69/85/353066985.db2.gz QTAYQWHQKUJWFU-UHFFFAOYSA-N 1 0 240.372 2.340 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638865357 353038981 /nfs/dbraw/zinc/03/89/81/353038981.db2.gz FMZCDIFWXISZQB-LBPRGKRZSA-N 1 0 236.359 2.143 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](C)[NH2+]CC ZINC000638866151 353040282 /nfs/dbraw/zinc/04/02/82/353040282.db2.gz OIZNRHQRDBQUPF-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000638875042 353041485 /nfs/dbraw/zinc/04/14/85/353041485.db2.gz MQUQTFIRSWVWDZ-AWEZNQCLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000638875043 353041593 /nfs/dbraw/zinc/04/15/93/353041593.db2.gz MQUQTFIRSWVWDZ-CQSZACIVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000638876400 353042091 /nfs/dbraw/zinc/04/20/91/353042091.db2.gz YOCOTMRBBJKJPC-WDEREUQCSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000638873517 353043926 /nfs/dbraw/zinc/04/39/26/353043926.db2.gz AVVSOAIYZIALDC-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000164550353 353096103 /nfs/dbraw/zinc/09/61/03/353096103.db2.gz HTIIYHDBRDWYCD-ZDUSSCGKSA-N 1 0 226.364 2.457 20 30 BEEDRO C=CCCC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000577853652 366085740 /nfs/dbraw/zinc/08/57/40/366085740.db2.gz OPTHXCNELWFNEK-CQSZACIVSA-N 1 0 244.338 2.037 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336759245 353169051 /nfs/dbraw/zinc/16/90/51/353169051.db2.gz KLEMNXQSZYNRIW-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO CC#CCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336759244 353169068 /nfs/dbraw/zinc/16/90/68/353169068.db2.gz KLEMNXQSZYNRIW-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCOCC[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000638970165 353176428 /nfs/dbraw/zinc/17/64/28/353176428.db2.gz OTXOOENMCUVNTN-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CC[N@H+](C)CCOc1ccccc1Cl ZINC000052711187 353196961 /nfs/dbraw/zinc/19/69/61/353196961.db2.gz WPENUUUMAWQBLF-UHFFFAOYSA-N 1 0 223.703 2.284 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881296 353217852 /nfs/dbraw/zinc/21/78/52/353217852.db2.gz DVTLYXMNHXATPW-HNNXBMFYSA-N 1 0 244.338 2.061 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CCOC)COC ZINC000336763899 353248948 /nfs/dbraw/zinc/24/89/48/353248948.db2.gz MQIKZECBJBYEPJ-XQQFMLRXSA-N 1 0 229.364 2.228 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC1(C[NH3+])CCCCC1 ZINC000638997110 353243282 /nfs/dbraw/zinc/24/32/82/353243282.db2.gz FWOOLOBAPZDFDH-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C#CCCN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000127384898 353270320 /nfs/dbraw/zinc/27/03/20/353270320.db2.gz SQPCSDYJKWXQOU-OAHLLOKOSA-N 1 0 242.366 2.389 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000189104806 353275298 /nfs/dbraw/zinc/27/52/98/353275298.db2.gz UVSZYGBNNKLKTR-IUCAKERBSA-N 1 0 224.329 2.133 20 30 BEEDRO Cc1ccccc1C[C@@H](C)[NH2+]CCC#N ZINC000336767690 353275724 /nfs/dbraw/zinc/27/57/24/353275724.db2.gz TVXWQBKXVUVGIH-GFCCVEGCSA-N 1 0 202.301 2.429 20 30 BEEDRO Cc1ccccc1C[C@H](C)[NH2+]CCC#N ZINC000336767691 353275804 /nfs/dbraw/zinc/27/58/04/353275804.db2.gz TVXWQBKXVUVGIH-LBPRGKRZSA-N 1 0 202.301 2.429 20 30 BEEDRO N#Cc1ccc(C2=CC[N@H+](CCCO)CC2)cc1 ZINC000367208613 188237443 /nfs/dbraw/zinc/23/74/43/188237443.db2.gz KEPSUJURDADHDY-UHFFFAOYSA-N 1 0 242.322 2.030 20 30 BEEDRO N#Cc1ccc2ncc(C[NH2+]CCCCF)n2c1 ZINC000361049492 188244557 /nfs/dbraw/zinc/24/45/57/188244557.db2.gz FMKUFMBTBDGLSS-UHFFFAOYSA-N 1 0 246.289 2.045 20 30 BEEDRO C=CCCCC(=O)NC1CC[NH+](CC=C)CC1 ZINC000175588214 188253037 /nfs/dbraw/zinc/25/30/37/188253037.db2.gz IJRVYIUUTOYMNG-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@H]2CCO)c1F ZINC000310617025 188255424 /nfs/dbraw/zinc/25/54/24/188255424.db2.gz FHVMYTSROZJGIR-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C#CCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000268712003 188262207 /nfs/dbraw/zinc/26/22/07/188262207.db2.gz MMPQDILMUSYKQL-INIZCTEOSA-N 1 0 243.350 2.382 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000271028354 188263192 /nfs/dbraw/zinc/26/31/92/188263192.db2.gz PRWTZSFOUSOLNX-CYBMUJFWSA-N 1 0 200.285 2.242 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000069768520 188307899 /nfs/dbraw/zinc/30/78/99/188307899.db2.gz WCHCGUISCFFALC-JTQLQIEISA-N 1 0 218.256 2.269 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639031406 353299016 /nfs/dbraw/zinc/29/90/16/353299016.db2.gz UBFQIKPNVWXOIT-JOCQHMNTSA-N 1 0 236.359 2.141 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000161998623 353300579 /nfs/dbraw/zinc/30/05/79/353300579.db2.gz VVUYRSFURUDNAM-SNVBAGLBSA-N 1 0 218.256 2.269 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000161998529 353300743 /nfs/dbraw/zinc/30/07/43/353300743.db2.gz VVUYRSFURUDNAM-JTQLQIEISA-N 1 0 218.256 2.269 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000252741075 353302708 /nfs/dbraw/zinc/30/27/08/353302708.db2.gz KSONQBUXLRIFCJ-LOWDOPEQSA-N 1 0 221.344 2.498 20 30 BEEDRO C=C(Br)C[N@H+]1CC[C@H](C)C1 ZINC000263689616 188260239 /nfs/dbraw/zinc/26/02/39/188260239.db2.gz LAKQFQLSXNWQIG-ZETCQYMHSA-N 1 0 204.111 2.237 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000619673312 363215320 /nfs/dbraw/zinc/21/53/20/363215320.db2.gz CXUOPQIFYCRUKD-LSDHHAIUSA-N 1 0 244.338 2.003 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000129977755 353338664 /nfs/dbraw/zinc/33/86/64/353338664.db2.gz RZTGQBICDVZGLE-JTQLQIEISA-N 1 0 238.331 2.238 20 30 BEEDRO C=CCCC[N@@H+](C)CCC(=O)OC(C)C ZINC000075749973 353324202 /nfs/dbraw/zinc/32/42/02/353324202.db2.gz UJKUYCFITWJULF-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCOc1cccc(CN2CCOC[C@@H]2C)c1 ZINC000130746437 353357137 /nfs/dbraw/zinc/35/71/37/353357137.db2.gz PFPNULVUDKCVCR-ZDUSSCGKSA-N 1 0 247.338 2.472 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000130828672 353360634 /nfs/dbraw/zinc/36/06/34/353360634.db2.gz QYQBBLGQHPNDFJ-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCCCC[NH2+]CC(C)(C)N1CCOCC1 ZINC000639056384 353360788 /nfs/dbraw/zinc/36/07/88/353360788.db2.gz LCKULZCFCSJCSY-UHFFFAOYSA-N 1 0 240.391 2.043 20 30 BEEDRO C=C(C)C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000153398687 188328243 /nfs/dbraw/zinc/32/82/43/188328243.db2.gz QAIODKDOYPLBEH-UHFFFAOYSA-N 1 0 221.348 2.383 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCC1(C#N)CCOCC1 ZINC000577861530 366087938 /nfs/dbraw/zinc/08/79/38/366087938.db2.gz CYFBGXOGSNVPHQ-CYBMUJFWSA-N 1 0 249.358 2.369 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000157353163 188331429 /nfs/dbraw/zinc/33/14/29/188331429.db2.gz SMHLIXKEWLHBBV-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO CCC(N)=[NH+]OCc1ccccc1OC(F)F ZINC000265387580 535226133 /nfs/dbraw/zinc/22/61/33/535226133.db2.gz FGOZBYJNBANWAT-UHFFFAOYSA-N 1 0 244.241 2.487 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CO)CCCCC1 ZINC000053097183 188335760 /nfs/dbraw/zinc/33/57/60/188335760.db2.gz MXVADXALVGMARB-UHFFFAOYSA-N 1 0 203.713 2.024 20 30 BEEDRO CSCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000122920126 324063709 /nfs/dbraw/zinc/06/37/09/324063709.db2.gz VFOWDEWDIQMCGI-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000180459889 353393537 /nfs/dbraw/zinc/39/35/37/353393537.db2.gz FXIGBNCFDSUIMF-LLVKDONJSA-N 1 0 239.388 2.473 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)COCc1ccccc1 ZINC000133075829 353396265 /nfs/dbraw/zinc/39/62/65/353396265.db2.gz FJFGAAARDXMHRV-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000181477826 188344438 /nfs/dbraw/zinc/34/44/38/188344438.db2.gz SPDFDKRVHFNUNL-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1cccc(C#N)c1 ZINC000185330435 188346653 /nfs/dbraw/zinc/34/66/53/188346653.db2.gz NAEGTBZHPCMNRY-HNNXBMFYSA-N 1 0 246.354 2.397 20 30 BEEDRO C#Cc1cccc(NC(=O)C[N@H+](C)CCC=C)c1 ZINC000132572586 353383564 /nfs/dbraw/zinc/38/35/64/353383564.db2.gz ZXELDRNXAFOPAO-UHFFFAOYSA-N 1 0 242.322 2.114 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000351225409 133966967 /nfs/dbraw/zinc/96/69/67/133966967.db2.gz LJCICZOSSMTHAC-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC23CCOCC3)cc1 ZINC000365663000 188361649 /nfs/dbraw/zinc/36/16/49/188361649.db2.gz LDTIXQJCJGIEBM-UHFFFAOYSA-N 1 0 242.322 2.313 20 30 BEEDRO N#Cc1cccc(CNc2cc3c(c[nH+]2)CCC3)c1 ZINC000339555701 188368600 /nfs/dbraw/zinc/36/86/00/188368600.db2.gz KJFFJOZJYZCGAZ-UHFFFAOYSA-N 1 0 249.317 2.476 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCN1CCc2ccccc21 ZINC000563727544 353411776 /nfs/dbraw/zinc/41/17/76/353411776.db2.gz VQDFIPMIFLOBJK-AWEZNQCLSA-N 1 0 243.354 2.331 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000281398572 353446128 /nfs/dbraw/zinc/44/61/28/353446128.db2.gz NLKLCMVTSOCCMH-CQSZACIVSA-N 1 0 231.343 2.361 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnn(CC(C)C)c1 ZINC000181801888 353447524 /nfs/dbraw/zinc/44/75/24/353447524.db2.gz RXJILHAHDQFTOZ-UHFFFAOYSA-N 1 0 233.359 2.432 20 30 BEEDRO C=CCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281672795 353456246 /nfs/dbraw/zinc/45/62/46/353456246.db2.gz LSVOGHGPHLSLJL-HNNXBMFYSA-N 1 0 231.339 2.376 20 30 BEEDRO C=CCOc1cccc(C[N@H+](C)CCCO)c1 ZINC000281696030 353456760 /nfs/dbraw/zinc/45/67/60/353456760.db2.gz GOEOXCKTYPLNRD-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C=CCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000181584727 353433283 /nfs/dbraw/zinc/43/32/83/353433283.db2.gz VBWAUTGGWCJIEB-AWEZNQCLSA-N 1 0 216.328 2.161 20 30 BEEDRO C=CCCOCC[NH2+]CC1(OC)CCCC1 ZINC000336775253 353439227 /nfs/dbraw/zinc/43/92/27/353439227.db2.gz YLUFRDRQCKODCF-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO CC#CC[N@@H+](C)CCCc1nccn1CCC ZINC000191509276 353486112 /nfs/dbraw/zinc/48/61/12/353486112.db2.gz CFTLQMCTEAZPHH-UHFFFAOYSA-N 1 0 233.359 2.181 20 30 BEEDRO C#CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282424521 353471858 /nfs/dbraw/zinc/47/18/58/353471858.db2.gz JRZIFBCNEFAONL-UHFFFAOYSA-N 1 0 232.283 2.092 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@H](C)CC ZINC000183044059 353507678 /nfs/dbraw/zinc/50/76/78/353507678.db2.gz UJNVSUJEUWCOLE-CHWSQXEVSA-N 1 0 238.375 2.211 20 30 BEEDRO CC#CC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284337639 353511862 /nfs/dbraw/zinc/51/18/62/353511862.db2.gz QYPOJCLGDHWRCT-GJZGRUSLSA-N 1 0 228.339 2.045 20 30 BEEDRO C=CC[C@H](CC)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000284597476 353514869 /nfs/dbraw/zinc/51/48/69/353514869.db2.gz HKAKKSQXHFSOHG-LBPRGKRZSA-N 1 0 243.310 2.419 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000134810468 353515513 /nfs/dbraw/zinc/51/55/13/353515513.db2.gz BSLNOCSTGOUHPF-GJZGRUSLSA-N 1 0 247.313 2.347 20 30 BEEDRO C=CCCCCCN(C)Cc1nccc(N)n1 ZINC000135095210 353525195 /nfs/dbraw/zinc/52/51/95/353525195.db2.gz JFBWTORRPBUATH-UHFFFAOYSA-N 1 0 234.347 2.237 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000449228454 324139219 /nfs/dbraw/zinc/13/92/19/324139219.db2.gz UHMMFEDAHDIBHB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000285070579 353528740 /nfs/dbraw/zinc/52/87/40/353528740.db2.gz JFPDBAFECSUEDD-CYBMUJFWSA-N 1 0 221.348 2.464 20 30 BEEDRO C[C@H](O)C1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192019609 353531635 /nfs/dbraw/zinc/53/16/35/353531635.db2.gz XZFZFJSPEAVGNM-AWEZNQCLSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285347205 353534379 /nfs/dbraw/zinc/53/43/79/353534379.db2.gz PHGOHRFPBISNEW-UHFFFAOYSA-N 1 0 220.272 2.255 20 30 BEEDRO C#CC[N@@H+](C)CCOc1ccccc1OCC ZINC000192228225 353538414 /nfs/dbraw/zinc/53/84/14/353538414.db2.gz KXGJSISMIRUOAH-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CCC[C@@H]1O ZINC000192130545 353543573 /nfs/dbraw/zinc/54/35/73/353543573.db2.gz WQJAMEAYNNJBNB-CVEARBPZSA-N 1 0 243.350 2.131 20 30 BEEDRO C#CC[N@@H+](CCOCC)Cc1ccccc1 ZINC000285501710 353545282 /nfs/dbraw/zinc/54/52/82/353545282.db2.gz CWRJBBUTXGPLSD-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C=CCN(C(=O)c1ccc2c[nH+]cn2c1)C1CC1 ZINC000285533687 353545734 /nfs/dbraw/zinc/54/57/34/353545734.db2.gz HKUIAZPUZROVHR-UHFFFAOYSA-N 1 0 241.294 2.125 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccnc(N)c1 ZINC000193353048 353584474 /nfs/dbraw/zinc/58/44/74/353584474.db2.gz XZNDZPJGFYACJQ-UHFFFAOYSA-N 1 0 205.305 2.062 20 30 BEEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286226305 353553569 /nfs/dbraw/zinc/55/35/69/353553569.db2.gz YXZSCEDXJCHHQG-OAGGEKHMSA-N 1 0 241.334 2.124 20 30 BEEDRO CC[N@@H+]1CCN(CC#Cc2ccccc2)[C@@H](C)C1 ZINC000286752782 353570112 /nfs/dbraw/zinc/57/01/12/353570112.db2.gz YUYHCPZPFYFMQG-HNNXBMFYSA-N 1 0 242.366 2.064 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(COCC)c1 ZINC000289370617 353625741 /nfs/dbraw/zinc/62/57/41/353625741.db2.gz LLEPEUVBWDSQOQ-LBPRGKRZSA-N 1 0 247.338 2.343 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000289666327 353625974 /nfs/dbraw/zinc/62/59/74/353625974.db2.gz GZEVDPSVSGIODE-NHYWBVRUSA-N 1 0 231.339 2.373 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC(F)F)cc1 ZINC000289550051 353631835 /nfs/dbraw/zinc/63/18/35/353631835.db2.gz RAXFLNYIHXCFKO-SNVBAGLBSA-N 1 0 239.265 2.442 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1 ZINC000289540390 353632027 /nfs/dbraw/zinc/63/20/27/353632027.db2.gz IANZRMPIUYXYFL-BBRMVZONSA-N 1 0 243.350 2.430 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1F ZINC000289580764 353632694 /nfs/dbraw/zinc/63/26/94/353632694.db2.gz BMQVIRNZFWFYBS-WCQYABFASA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000289753836 353634377 /nfs/dbraw/zinc/63/43/77/353634377.db2.gz HSTLXGATEPHVMF-NSHDSACASA-N 1 0 245.244 2.342 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000289823079 353639753 /nfs/dbraw/zinc/63/97/53/353639753.db2.gz PBQSRWAQTYOYCU-HIFRSBDPSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000289835044 353639778 /nfs/dbraw/zinc/63/97/78/353639778.db2.gz PNKFTDZERDCUDT-MWLCHTKSSA-N 1 0 239.290 2.032 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOCC(F)F)cc1 ZINC000289898970 353641764 /nfs/dbraw/zinc/64/17/64/353641764.db2.gz XKGLPKOZEXCIRW-UHFFFAOYSA-N 1 0 239.265 2.039 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000289926940 353643094 /nfs/dbraw/zinc/64/30/94/353643094.db2.gz VGKSTRWOPPEJPO-NEPJUHHUSA-N 1 0 235.327 2.201 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000289970393 353644927 /nfs/dbraw/zinc/64/49/27/353644927.db2.gz WAXIJIVNRQZGTE-AWEZNQCLSA-N 1 0 242.322 2.180 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC(O)(CC)CC2)cc1 ZINC000290039794 353646706 /nfs/dbraw/zinc/64/67/06/353646706.db2.gz NYWFGZOSPLIYQI-UHFFFAOYSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CC2(O)CCCC2)cc1 ZINC000290130649 353649224 /nfs/dbraw/zinc/64/92/24/353649224.db2.gz VALFZOPTZPKRDR-UHFFFAOYSA-N 1 0 243.350 2.405 20 30 BEEDRO C=CCCCCCC[NH2+]Cc1cnnn1C ZINC000290111632 353649330 /nfs/dbraw/zinc/64/93/30/353649330.db2.gz LCULLQIUNYCXFM-UHFFFAOYSA-N 1 0 222.336 2.041 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316750 353650204 /nfs/dbraw/zinc/65/02/04/353650204.db2.gz SZPKOPFRJUHUSE-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000290184876 353650867 /nfs/dbraw/zinc/65/08/67/353650867.db2.gz SEMKQNSXOQOROE-ZDUSSCGKSA-N 1 0 248.370 2.291 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)c(C)o1)C(C)C ZINC000289319220 353612002 /nfs/dbraw/zinc/61/20/02/353612002.db2.gz FNURSECMWXXEDK-ZDUSSCGKSA-N 1 0 249.310 2.122 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000289339554 353613543 /nfs/dbraw/zinc/61/35/43/353613543.db2.gz HQLVFUOZHDDILK-VXGBXAGGSA-N 1 0 236.363 2.457 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)C ZINC000289351140 353613922 /nfs/dbraw/zinc/61/39/22/353613922.db2.gz JBXFLMGMSDSFNI-CQSZACIVSA-N 1 0 229.323 2.369 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1NC(C)=O)C(C)C ZINC000289070513 353617162 /nfs/dbraw/zinc/61/71/62/353617162.db2.gz AEZJSKOMNWBDCA-CQSZACIVSA-N 1 0 244.338 2.392 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000289081144 353617818 /nfs/dbraw/zinc/61/78/18/353617818.db2.gz AXIKNJGZDMKYJR-AAEUAGOBSA-N 1 0 229.323 2.164 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000289105804 353618119 /nfs/dbraw/zinc/61/81/19/353618119.db2.gz CNLLLQQJAUJHNU-CYBMUJFWSA-N 1 0 232.283 2.342 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000289105568 353618354 /nfs/dbraw/zinc/61/83/54/353618354.db2.gz CKCXWBYKVNVUBP-LBPRGKRZSA-N 1 0 239.322 2.496 20 30 BEEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)C#C)cc1 ZINC000289091155 353618379 /nfs/dbraw/zinc/61/83/79/353618379.db2.gz BMVVXMRJENDFEG-ZDUSSCGKSA-N 1 0 227.307 2.200 20 30 BEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC1(C#N)CC1 ZINC000343318192 353665161 /nfs/dbraw/zinc/66/51/61/353665161.db2.gz XEXJLRYBMOOBRB-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000291663585 353696631 /nfs/dbraw/zinc/69/66/31/353696631.db2.gz FKRXZZJBEWIPFV-OAHLLOKOSA-N 1 0 231.339 2.202 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)c1cnccn1 ZINC000184564964 353681261 /nfs/dbraw/zinc/68/12/61/353681261.db2.gz SGZOPPMMWGRUIC-LLVKDONJSA-N 1 0 205.305 2.436 20 30 BEEDRO C#CCCOc1ccc(CNCC(F)F)cc1 ZINC000291380696 353691668 /nfs/dbraw/zinc/69/16/68/353691668.db2.gz AZYYAYGFMJAHNE-UHFFFAOYSA-N 1 0 239.265 2.443 20 30 BEEDRO CC#CC[N@H+](C)CCC(=O)OCc1ccccc1 ZINC000293112569 353733104 /nfs/dbraw/zinc/73/31/04/353733104.db2.gz LUYKYRLTAYHNMH-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291815044 353705416 /nfs/dbraw/zinc/70/54/16/353705416.db2.gz NQUDMGMGUIFVJL-MRXNPFEDSA-N 1 0 243.350 2.036 20 30 BEEDRO C#CCC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292326625 353716346 /nfs/dbraw/zinc/71/63/46/353716346.db2.gz OHQQTLWPPCZMLZ-CYBMUJFWSA-N 1 0 246.329 2.360 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCC(C)(C)C1 ZINC000320602884 353719799 /nfs/dbraw/zinc/71/97/99/353719799.db2.gz DQICJOPDDYOCJN-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000292698592 353721242 /nfs/dbraw/zinc/72/12/42/353721242.db2.gz CZWREICQJJXDIP-OAHLLOKOSA-N 1 0 249.354 2.245 20 30 BEEDRO CC#CCN(C)CC#Cc1ccc(F)cc1 ZINC000292985000 353731022 /nfs/dbraw/zinc/73/10/22/353731022.db2.gz BQCGNHWDZKFXNG-UHFFFAOYSA-N 1 0 215.271 2.132 20 30 BEEDRO C=CCOCC[NH2+][C@H](CCCO)c1ccccc1 ZINC000293698006 353754028 /nfs/dbraw/zinc/75/40/28/353754028.db2.gz CKZDKXWAHYVAKR-OAHLLOKOSA-N 1 0 249.354 2.292 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC=C(C)CC1 ZINC000293747015 353756553 /nfs/dbraw/zinc/75/65/53/353756553.db2.gz XUCJWWUJWRVSNS-GFCCVEGCSA-N 1 0 209.358 2.441 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000639119451 353757348 /nfs/dbraw/zinc/75/73/48/353757348.db2.gz QTRYQJLEVURKEW-BFHYXJOUSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccccc1N(C)C ZINC000293625825 353758447 /nfs/dbraw/zinc/75/84/47/353758447.db2.gz QQQJDBZXUAPDBU-UHFFFAOYSA-N 1 0 248.370 2.387 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000351718911 133983064 /nfs/dbraw/zinc/98/30/64/133983064.db2.gz LJGYZRZZMRJLQG-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C#C[C@H]([NH2+]Cc1conc1C)C(C)(C)C ZINC000293927910 353764289 /nfs/dbraw/zinc/76/42/89/353764289.db2.gz NGPINXPSTREYPD-NSHDSACASA-N 1 0 206.289 2.121 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000580343397 353765245 /nfs/dbraw/zinc/76/52/45/353765245.db2.gz NWMDMWWABXVTGB-BPLDGKMQSA-N 1 0 246.354 2.433 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)cc1 ZINC000293959201 353765251 /nfs/dbraw/zinc/76/52/51/353765251.db2.gz JGSFMUPAZPXWBN-CZUORRHYSA-N 1 0 243.350 2.309 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000294472440 353779808 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355009247 /nfs/dbraw/zinc/00/92/47/355009247.db2.gz YAJSYJHAGMJUQL-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC23CC3)c1 ZINC000335286355 181167268 /nfs/dbraw/zinc/16/72/68/181167268.db2.gz QKHTYABUOWUILU-JTQLQIEISA-N 1 0 204.298 2.262 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639228778 355106499 /nfs/dbraw/zinc/10/64/99/355106499.db2.gz PDQKNRJMQCKFHJ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cnc(C)[nH]c1=O)C1CC1 ZINC000346801712 355108144 /nfs/dbraw/zinc/10/81/44/355108144.db2.gz BYRMDMKTLHIEFU-ZDUSSCGKSA-N 1 0 247.342 2.325 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346814943 355122979 /nfs/dbraw/zinc/12/29/79/355122979.db2.gz ZPVCOIMMUQLBPK-LBPRGKRZSA-N 1 0 235.331 2.325 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000639239800 355223594 /nfs/dbraw/zinc/22/35/94/355223594.db2.gz LYNSKVBRPRJOOD-MGPQQGTHSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC1CCN(c2cc(NC3CC3)ncn2)CC1 ZINC000413141621 191358731 /nfs/dbraw/zinc/35/87/31/191358731.db2.gz KJNUZNZCRPUWHS-UHFFFAOYSA-N 1 0 244.342 2.453 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C(=O)NCCC)CC1 ZINC000352006934 134034974 /nfs/dbraw/zinc/03/49/74/134034974.db2.gz WGAAIQMLIOHUJH-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[N@@H+]1CCC[C@H](CCNc2cccc(C#N)n2)C1 ZINC000413440568 191383164 /nfs/dbraw/zinc/38/31/64/191383164.db2.gz OVLRJZWSIQCOJA-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO COCCC[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160738 191462696 /nfs/dbraw/zinc/46/26/96/191462696.db2.gz DNGIGSJDGJOYRO-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H]1C[NH+](CC#CC[N@@H+]2C[C@H](C)[C@H](C)C2)C[C@@H]1C ZINC000583506658 355341208 /nfs/dbraw/zinc/34/12/08/355341208.db2.gz UGZKQHHAGCLCGO-YHUYYLMFSA-N 1 0 248.414 2.165 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC000639273404 355346176 /nfs/dbraw/zinc/34/61/76/355346176.db2.gz DHDLXWIPNIOZJV-FZMZJTMJSA-N 1 0 248.326 2.233 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CC1(F)F 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N#C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000335809227 355483788 /nfs/dbraw/zinc/48/37/88/355483788.db2.gz TWAMDTKELGMUSZ-GWCFXTLKSA-N 1 0 240.310 2.345 20 30 BEEDRO CC[N@H+](CCOC)Cc1cc(C#N)cs1 ZINC000349861643 355510518 /nfs/dbraw/zinc/51/05/18/355510518.db2.gz QRCLTRXNSXHTTH-UHFFFAOYSA-N 1 0 224.329 2.088 20 30 BEEDRO C=C(C)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000335841836 355586413 /nfs/dbraw/zinc/58/64/13/355586413.db2.gz CUZGLEGWUKPWRC-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639312615 355671143 /nfs/dbraw/zinc/67/11/43/355671143.db2.gz KXBMJYQVEYYISN-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000582183810 355659347 /nfs/dbraw/zinc/65/93/47/355659347.db2.gz AYAUQLOPTSZVGA-ZIAGYGMSSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000639307187 355662412 /nfs/dbraw/zinc/66/24/12/355662412.db2.gz QCZBKTGFBRHMMD-CQSZACIVSA-N 1 0 219.328 2.410 20 30 BEEDRO C=CCC1([NH2+][C@@H](COC)C2CC2)CCOCC1 ZINC000639314782 355704667 /nfs/dbraw/zinc/70/46/67/355704667.db2.gz OCKYZJUIGMGLAK-ZDUSSCGKSA-N 1 0 239.359 2.126 20 30 BEEDRO CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(CC#N)CC1 ZINC000191062927 358498398 /nfs/dbraw/zinc/49/83/98/358498398.db2.gz HRVKBAQCGOKTBO-LSDHHAIUSA-N 1 0 247.386 2.120 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639317789 355712995 /nfs/dbraw/zinc/71/29/95/355712995.db2.gz VOKWYIYUZINMSW-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000353243456 355684100 /nfs/dbraw/zinc/68/41/00/355684100.db2.gz MAZNDUHLXZWCPQ-MGPQQGTHSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425346208 191816282 /nfs/dbraw/zinc/81/62/82/191816282.db2.gz BDJTUIPCMFZJRQ-USZNOCQGSA-N 1 0 227.373 2.061 20 30 BEEDRO COc1cc(C[NH+]2CC(C)C2)ccc1C#N ZINC000336039207 134060584 /nfs/dbraw/zinc/06/05/84/134060584.db2.gz UPFVCQCJCNPRRH-UHFFFAOYSA-N 1 0 216.284 2.019 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cncnc1 ZINC000329482776 355925647 /nfs/dbraw/zinc/92/56/47/355925647.db2.gz DXTHBIKVKJLSMK-GFCCVEGCSA-N 1 0 248.330 2.329 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000351424420 355989208 /nfs/dbraw/zinc/98/92/08/355989208.db2.gz VZWGPEWITSQKHW-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000351472192 355997496 /nfs/dbraw/zinc/99/74/96/355997496.db2.gz OVMPPKNESARORX-MGPQQGTHSA-N 1 0 246.358 2.458 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191948290 355946823 /nfs/dbraw/zinc/94/68/23/355946823.db2.gz VMIXDEYKBLYUBS-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccnc(OC)c1 ZINC000351104354 355948065 /nfs/dbraw/zinc/94/80/65/355948065.db2.gz TXFLZXABWCAHIO-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000192165039 355959998 /nfs/dbraw/zinc/95/99/98/355959998.db2.gz FIUGZJTZZACBJV-CQSZACIVSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000351225408 355963581 /nfs/dbraw/zinc/96/35/81/355963581.db2.gz LJCICZOSSMTHAC-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)CC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351634444 356058080 /nfs/dbraw/zinc/05/80/80/356058080.db2.gz MTVHZRHXPCFHMK-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351634442 356058292 /nfs/dbraw/zinc/05/82/92/356058292.db2.gz MTVHZRHXPCFHMK-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351738570 356076170 /nfs/dbraw/zinc/07/61/70/356076170.db2.gz XILIYZWKRCDARB-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000351742059 356078254 /nfs/dbraw/zinc/07/82/54/356078254.db2.gz SWZCKAFQUOFEFJ-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000351820054 356089553 /nfs/dbraw/zinc/08/95/53/356089553.db2.gz NBDHQVXAVSTOPC-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000351824652 356091655 /nfs/dbraw/zinc/09/16/55/356091655.db2.gz RNZFQNHFKFOERX-UONOGXRCSA-N 1 0 249.358 2.114 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000335915536 356154672 /nfs/dbraw/zinc/15/46/72/356154672.db2.gz CCLGPDNNARHKFF-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000335915549 356154722 /nfs/dbraw/zinc/15/47/22/356154722.db2.gz QWUHBDHOZAUZFH-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC000047701584 356142553 /nfs/dbraw/zinc/14/25/53/356142553.db2.gz IRVWVUOGESIEHT-AWEZNQCLSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1CC(C)(C)CO1 ZINC000639449791 356233442 /nfs/dbraw/zinc/23/34/42/356233442.db2.gz BXZIFIKMVPGOJL-LBPRGKRZSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000617616618 356191315 /nfs/dbraw/zinc/19/13/15/356191315.db2.gz ALQKHYWCWCFDKW-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000330262703 356196076 /nfs/dbraw/zinc/19/60/76/356196076.db2.gz VLKPYWGAVPXDPT-WCQYABFASA-N 1 0 244.342 2.281 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C2CCC2)C1=O ZINC000639499887 356329579 /nfs/dbraw/zinc/32/95/79/356329579.db2.gz KAEJEJUWEWGXCF-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639484878 356300438 /nfs/dbraw/zinc/30/04/38/356300438.db2.gz AAFZICANDMDFBK-DGCLKSJQSA-N 1 0 209.333 2.309 20 30 BEEDRO Cc1ccnc(NC[C@@H]2CCC[C@H]([NH3+])C2)c1C#N ZINC000420275804 192198401 /nfs/dbraw/zinc/19/84/01/192198401.db2.gz GWIDRQRRVHARLT-NEPJUHHUSA-N 1 0 244.342 2.191 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc[nH]c(=O)c1 ZINC000639501535 356328611 /nfs/dbraw/zinc/32/86/11/356328611.db2.gz TXJJTYYHPRTYDA-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617758566 356314752 /nfs/dbraw/zinc/31/47/52/356314752.db2.gz RYFCFPNCTPBYKW-YPMHNXCESA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC1 ZINC000617758070 356318874 /nfs/dbraw/zinc/31/88/74/356318874.db2.gz HMOMSEOTZCYGKZ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CCC)C1 ZINC000617784013 356358238 /nfs/dbraw/zinc/35/82/38/356358238.db2.gz LPBYKMNEKXTIJC-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001640872318 1172198825 /nfs/dbraw/zinc/19/88/25/1172198825.db2.gz UVJSDLTWGOXIAG-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO CC1(C)C[N@H+](CCCC#N)C(C)(C)CO1 ZINC000609672105 356420236 /nfs/dbraw/zinc/42/02/36/356420236.db2.gz ZWDIVLAKBPYVNS-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CC(C)(C)CO1)C1CC1 ZINC000639559031 356464443 /nfs/dbraw/zinc/46/44/43/356464443.db2.gz KGUIWOJZEYUUSC-GFCCVEGCSA-N 1 0 209.333 2.452 20 30 BEEDRO C[C@H](CC[NH+](C)C)Nc1ccc(C#N)cc1 ZINC000049558736 356481977 /nfs/dbraw/zinc/48/19/77/356481977.db2.gz BOIJKUWNGLASQF-LLVKDONJSA-N 1 0 217.316 2.310 20 30 BEEDRO COCC1(C[NH2+]C[C@H](C#N)CCC#N)CCCC1 ZINC000582231530 356491554 /nfs/dbraw/zinc/49/15/54/356491554.db2.gz JNYHFJQDVBNOAE-ZDUSSCGKSA-N 1 0 249.358 2.226 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CCO1 ZINC000336173478 134115998 /nfs/dbraw/zinc/11/59/98/134115998.db2.gz OPDMMSBXUCGGOV-RYSNWHEDSA-N 1 0 236.359 2.473 20 30 BEEDRO CC#CCC[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000420955842 192279119 /nfs/dbraw/zinc/27/91/19/192279119.db2.gz MEJCXZHSWFAOIP-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO COC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000449777252 202030999 /nfs/dbraw/zinc/03/09/99/202030999.db2.gz QERJSUFDHXYKDC-GFCCVEGCSA-N 1 0 248.326 2.400 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CC)C(=O)NC ZINC000449780766 202034078 /nfs/dbraw/zinc/03/40/78/202034078.db2.gz VOUMQAWCMAUGDR-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](CC)CCC ZINC000450029587 202069518 /nfs/dbraw/zinc/06/95/18/202069518.db2.gz WELHQKMXIGTLHY-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c(C)cc(C)nc1C ZINC000639666309 356580351 /nfs/dbraw/zinc/58/03/51/356580351.db2.gz QBVVZBJUFQGIJE-CABCVRRESA-N 1 0 246.354 2.440 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000336260710 134141353 /nfs/dbraw/zinc/14/13/53/134141353.db2.gz UZUNTLMKLACJPR-UWVGGRQHSA-N 1 0 210.346 2.021 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000336260711 134141543 /nfs/dbraw/zinc/14/15/43/134141543.db2.gz UZUNTLMKLACJPR-VHSXEESVSA-N 1 0 210.346 2.021 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000639695270 356603875 /nfs/dbraw/zinc/60/38/75/356603875.db2.gz STZKHDPQIXLBJK-HNNXBMFYSA-N 1 0 246.354 2.464 20 30 BEEDRO C=C(C)CC[NH2+][C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000352407843 134144060 /nfs/dbraw/zinc/14/40/60/134144060.db2.gz SEYPQBLLXZDAFW-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO COCC1CC[NH+](CC2(CC#N)CC2)CC1 ZINC000088259549 356644738 /nfs/dbraw/zinc/64/47/38/356644738.db2.gz UBBFQXBEDZQPNY-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000336470901 134148138 /nfs/dbraw/zinc/14/81/38/134148138.db2.gz GHXHNEMGMDXSFN-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO N#CC1(CN2CCC([NH+]3CCCC3)CC2)CCC1 ZINC000450267775 202114365 /nfs/dbraw/zinc/11/43/65/202114365.db2.gz YEQDGAXEHYZQHK-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000088255399 356640379 /nfs/dbraw/zinc/64/03/79/356640379.db2.gz IDTCZMJBADSFPV-ZDUSSCGKSA-N 1 0 230.311 2.003 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000352473468 134146317 /nfs/dbraw/zinc/14/63/17/134146317.db2.gz VBIJTYOTOTVTEI-CQSZACIVSA-N 1 0 247.338 2.112 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(CC#N)C1CC1 ZINC000450337271 202130918 /nfs/dbraw/zinc/13/09/18/202130918.db2.gz DXNQJAWHNTYPKK-CQSZACIVSA-N 1 0 235.375 2.237 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)CC1CCC(=O)CC1 ZINC000450331828 202131612 /nfs/dbraw/zinc/13/16/12/202131612.db2.gz WGXVOLZSWKHAPK-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCOC1 ZINC000352700887 134151106 /nfs/dbraw/zinc/15/11/06/134151106.db2.gz ZJABMXLUWPDHOJ-ZDUSSCGKSA-N 1 0 235.327 2.347 20 30 BEEDRO CC[N@H+](CCC#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352692307 134151152 /nfs/dbraw/zinc/15/11/52/134151152.db2.gz OIZLUQUZKSFLBE-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cn2cccnc2n1 ZINC000123891581 358509490 /nfs/dbraw/zinc/50/94/90/358509490.db2.gz GAWYYCQCKPJTCB-UHFFFAOYSA-N 1 0 230.315 2.127 20 30 BEEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCC(C)(C)C#N ZINC000336628460 134152396 /nfs/dbraw/zinc/15/23/96/134152396.db2.gz ZNQDLRZCVCQIEA-GHMZBOCLSA-N 1 0 224.348 2.160 20 30 BEEDRO C=C(Cl)CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000167734483 134153613 /nfs/dbraw/zinc/15/36/13/134153613.db2.gz WUZLMTYQLNYEPZ-SDDRHHMPSA-N 1 0 228.767 2.249 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000303551908 134159317 /nfs/dbraw/zinc/15/93/17/134159317.db2.gz VEDIGENQZBNSSM-SNVBAGLBSA-N 1 0 224.279 2.074 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353076908 134160224 /nfs/dbraw/zinc/16/02/24/134160224.db2.gz CRGUSCBKSRPZCG-VXGBXAGGSA-N 1 0 232.327 2.380 20 30 BEEDRO N#Cc1cc(Cl)ccc1NC[C@@H]([NH3+])C1CC1 ZINC000168235899 134160864 /nfs/dbraw/zinc/16/08/64/134160864.db2.gz NMIBKYJJUKGFEL-LLVKDONJSA-N 1 0 235.718 2.361 20 30 BEEDRO CC(C)(C)[C@H]1CC[N@H+](CCCC#N)C[C@H]1O ZINC000352996386 134158759 /nfs/dbraw/zinc/15/87/59/134158759.db2.gz GOAJDQDAFNHLGI-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000353020556 134159095 /nfs/dbraw/zinc/15/90/95/134159095.db2.gz PEXSZYKYKKVNRU-YRGRVCCFSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]CCCC(C)(C)C#N ZINC000193101153 356698274 /nfs/dbraw/zinc/69/82/74/356698274.db2.gz BYSRCCBJVHQAAJ-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCN(CCC)CC[NH+]1CCCCC1 ZINC000353165352 134162401 /nfs/dbraw/zinc/16/24/01/134162401.db2.gz ICFSIQACBOEGQF-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO CO[C@H](C)C[N@H+](CC1(C#N)CCC1)C(C)C ZINC000450428168 202162015 /nfs/dbraw/zinc/16/20/15/202162015.db2.gz HGWAZFVHPKXTEL-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000354067732 134166422 /nfs/dbraw/zinc/16/64/22/134166422.db2.gz FOVBTHWAVKLKRW-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000354789311 134170006 /nfs/dbraw/zinc/17/00/06/134170006.db2.gz LMRULCCLJOMBMT-CHWSQXEVSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639795242 356751770 /nfs/dbraw/zinc/75/17/70/356751770.db2.gz GPMGMWPPQBACPW-UHFFFAOYSA-N 1 0 217.316 2.085 20 30 BEEDRO CC[C@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@H]1O ZINC000355183637 134172256 /nfs/dbraw/zinc/17/22/56/134172256.db2.gz GHNOSOBXRVBXHS-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1CNc1cc[nH+]c(CC)c1 ZINC000450495955 202183977 /nfs/dbraw/zinc/18/39/77/202183977.db2.gz CJOIKRZLSZKVHC-DOMZBBRYSA-N 1 0 246.354 2.459 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818357 356799660 /nfs/dbraw/zinc/79/96/60/356799660.db2.gz PFINJPAPWVUXCV-CYBMUJFWSA-N 1 0 234.347 2.271 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623924661 356799951 /nfs/dbraw/zinc/79/99/51/356799951.db2.gz JMKGOIZYZHXUMJ-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623924663 356799991 /nfs/dbraw/zinc/79/99/91/356799991.db2.gz JMKGOIZYZHXUMJ-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO CC1(C)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093339847 356805743 /nfs/dbraw/zinc/80/57/43/356805743.db2.gz IJWKKBODTKKIQJ-UHFFFAOYSA-N 1 0 204.273 2.383 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2CCc3ncnn32)CCCC1 ZINC000639829292 356813116 /nfs/dbraw/zinc/81/31/16/356813116.db2.gz ZNTBNILCHLPWIT-LBPRGKRZSA-N 1 0 246.358 2.244 20 30 BEEDRO CCc1cc(N2CCC(F)(C#N)CC2)cc[nH+]1 ZINC000450532170 202191009 /nfs/dbraw/zinc/19/10/09/202191009.db2.gz WAXXVICAIBVJGO-UHFFFAOYSA-N 1 0 233.290 2.476 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(C#N)cs1 ZINC000385042060 356875452 /nfs/dbraw/zinc/87/54/52/356875452.db2.gz RJABIAAXZHSKHB-VIFPVBQESA-N 1 0 238.356 2.259 20 30 BEEDRO CC[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179461 192611924 /nfs/dbraw/zinc/61/19/24/192611924.db2.gz DJSZOOSBYHPWSM-HUUCEWRRSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2occc21 ZINC000193284805 356899386 /nfs/dbraw/zinc/89/93/86/356899386.db2.gz GOVSZVGEINLRRE-CMPLNLGQSA-N 1 0 221.300 2.184 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)C1C[NH2+]C1 ZINC000357114038 134181912 /nfs/dbraw/zinc/18/19/12/134181912.db2.gz BFHUKLNSUQMRHI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152306201 357023659 /nfs/dbraw/zinc/02/36/59/357023659.db2.gz KPRFOCYPMCBKSU-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCOCCC#N)C1 ZINC000385255192 357034548 /nfs/dbraw/zinc/03/45/48/357034548.db2.gz TZEBDJLJHZSMAV-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)CN(C)C ZINC000168668462 357067938 /nfs/dbraw/zinc/06/79/38/357067938.db2.gz ZFYQVJIMYWDJTC-ZDUSSCGKSA-N 1 0 248.370 2.291 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000389984840 357079320 /nfs/dbraw/zinc/07/93/20/357079320.db2.gz LNFFWCQGSOMMGV-VOMCLLRMSA-N 1 0 209.333 2.334 20 30 BEEDRO C=CCCCC[N@H+]1CC[S@@](=O)CC[C@@H]1C ZINC000582401299 357132615 /nfs/dbraw/zinc/13/26/15/357132615.db2.gz IVAPYZBVMXMTGD-WFASDCNBSA-N 1 0 229.389 2.186 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000582431533 357148027 /nfs/dbraw/zinc/14/80/27/357148027.db2.gz HVNPTVJXGUZVFP-UHFFFAOYSA-N 1 0 207.321 2.328 20 30 BEEDRO C=CCC[C@H](NCC[NH2+]CC)c1ccco1 ZINC000423247343 192650723 /nfs/dbraw/zinc/65/07/23/192650723.db2.gz OSHPZHMYXOZZOH-LBPRGKRZSA-N 1 0 222.332 2.486 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000628405280 357199280 /nfs/dbraw/zinc/19/92/80/357199280.db2.gz IAWOMTNTCSHZRY-GFCCVEGCSA-N 1 0 207.317 2.231 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(CO)o2)C1 ZINC000628405971 357199982 /nfs/dbraw/zinc/19/99/82/357199982.db2.gz ZDVPIXCVLHCZSF-NSHDSACASA-N 1 0 221.300 2.170 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(C)cnn2C)C1 ZINC000628406262 357201345 /nfs/dbraw/zinc/20/13/45/357201345.db2.gz FVMPJOPJENCSBT-GFCCVEGCSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000628406609 357201822 /nfs/dbraw/zinc/20/18/22/357201822.db2.gz NATDCYOYGCHGGI-LBPRGKRZSA-N 1 0 231.343 2.437 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(C)o2)C1 ZINC000628406894 357202814 /nfs/dbraw/zinc/20/28/14/357202814.db2.gz UHDMHAHWLXJMKM-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000393462709 357310264 /nfs/dbraw/zinc/31/02/64/357310264.db2.gz ALCGWWZKNURIRP-NDBYEHHHSA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000393462707 357310374 /nfs/dbraw/zinc/31/03/74/357310374.db2.gz ALCGWWZKNURIRP-CYDGBPFRSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000393888794 357306128 /nfs/dbraw/zinc/30/61/28/357306128.db2.gz WYPYGQVBVNHFNI-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)CC ZINC000172325079 357278502 /nfs/dbraw/zinc/27/85/02/357278502.db2.gz BUKXEWIYYVRNCC-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCCC(F)(F)C1 ZINC000582602109 357347986 /nfs/dbraw/zinc/34/79/86/357347986.db2.gz JBYQGVOEKQJBQW-VIFPVBQESA-N 1 0 202.248 2.315 20 30 BEEDRO CC(C)OCC[NH+]1CCC(CC#N)CC1 ZINC000397172385 357508275 /nfs/dbraw/zinc/50/82/75/357508275.db2.gz DVDCLAAYMKPSPY-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@H](CC(=O)N[C@@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000583087136 357469129 /nfs/dbraw/zinc/46/91/29/357469129.db2.gz KAPNIOQBTUAVKC-RWMBFGLXSA-N 1 0 246.354 2.198 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CCO[C@@H](CC)C1 ZINC000361646315 134206998 /nfs/dbraw/zinc/20/69/98/134206998.db2.gz VEHYRGGRXDFTPR-KBPBESRZSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000361436347 134205217 /nfs/dbraw/zinc/20/52/17/134205217.db2.gz ZRCMOQXJGNXZCE-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000361436346 134205413 /nfs/dbraw/zinc/20/54/13/134205413.db2.gz ZRCMOQXJGNXZCE-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000362300263 538875858 /nfs/dbraw/zinc/87/58/58/538875858.db2.gz LANATRIKUINWHK-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189140319 357615537 /nfs/dbraw/zinc/61/55/37/357615537.db2.gz NXOQNUDNLBPGBY-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000232532711 357663904 /nfs/dbraw/zinc/66/39/04/357663904.db2.gz HYKFXKSJUFRNOK-CHWSQXEVSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362447793 134211300 /nfs/dbraw/zinc/21/13/00/134211300.db2.gz DECRWAPVLMIGKW-QWHCGFSZSA-N 1 0 209.333 2.454 20 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C=CCCCN(C)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000234296550 357780916 /nfs/dbraw/zinc/78/09/16/357780916.db2.gz SQXPKMCJTHMTCT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCN1CC[NH+](CC(C)C)CC1 ZINC000117871448 134221846 /nfs/dbraw/zinc/22/18/46/134221846.db2.gz ZKSLZWGKTJKTRL-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000639927097 357860310 /nfs/dbraw/zinc/86/03/10/357860310.db2.gz DCYWSKLBNKRQOO-HUUCEWRRSA-N 1 0 247.338 2.077 20 30 BEEDRO C=C(C)C[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000120052745 134227087 /nfs/dbraw/zinc/22/70/87/134227087.db2.gz TTYWKAHZLDJMAX-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCCCC[N@H+]1CCCN(C(C)=O)CC1 ZINC000193290217 357872548 /nfs/dbraw/zinc/87/25/48/357872548.db2.gz CXPJLZKTKONAOJ-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000193303474 357873382 /nfs/dbraw/zinc/87/33/82/357873382.db2.gz IUUWUOMFJCGLCP-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO 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CC[C@@H]1C[C@H](C[NH2+]CC2(CC#N)CC2)CCO1 ZINC000430035575 201138165 /nfs/dbraw/zinc/13/81/65/201138165.db2.gz NEOBPVLAKRQBML-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCC1(C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000430040161 201138797 /nfs/dbraw/zinc/13/87/97/201138797.db2.gz ORAGVKNLOWYYCK-OWOJBTEDSA-N 1 0 227.311 2.378 20 30 BEEDRO CCCn1cc(C[NH2+]CC2(CC#N)CC2)cn1 ZINC000430037880 201139305 /nfs/dbraw/zinc/13/93/05/201139305.db2.gz ADECEVOQCRBPPW-UHFFFAOYSA-N 1 0 232.331 2.077 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cn3ccccc3n2)CC1 ZINC000430073141 201140262 /nfs/dbraw/zinc/14/02/62/201140262.db2.gz VNYLEAUAMDRIIE-UHFFFAOYSA-N 1 0 240.310 2.118 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000629589745 361476956 /nfs/dbraw/zinc/47/69/56/361476956.db2.gz YDDAQFWIRNNFLX-JTQLQIEISA-N 1 0 239.281 2.492 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433305946 201179603 /nfs/dbraw/zinc/17/96/03/201179603.db2.gz QQGNILBTJYKZNB-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO COC(C)(C)CC[N@H+](C)CC(C)(C)C#N ZINC000433300196 201175807 /nfs/dbraw/zinc/17/58/07/201175807.db2.gz SMDVJEFMVLGGBJ-UHFFFAOYSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CC[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000629650404 361547439 /nfs/dbraw/zinc/54/74/39/361547439.db2.gz UPQGYTYFSUZQPT-LBPRGKRZSA-N 1 0 210.365 2.273 20 30 BEEDRO N#CCSCCC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152881197 201210799 /nfs/dbraw/zinc/21/07/99/201210799.db2.gz NVENUQMGQWEMPQ-TXEJJXNPSA-N 1 0 224.373 2.365 20 30 BEEDRO C=CCC1([NH2+]Cc2cc(C)no2)CCOCC1 ZINC000631172206 361577344 /nfs/dbraw/zinc/57/73/44/361577344.db2.gz DHUZDWBPMHNEMC-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000309982910 491159304 /nfs/dbraw/zinc/15/93/04/491159304.db2.gz XBLIHKVZUYEDQD-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1CCCSCC#N ZINC000448553582 201251464 /nfs/dbraw/zinc/25/14/64/201251464.db2.gz CPTRVAQMCXCXMR-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO CC(C)OC1CC([NH2+]CCCCC#N)C1 ZINC000189533186 219906343 /nfs/dbraw/zinc/90/63/43/219906343.db2.gz QJHYNZBANMOKDA-UHFFFAOYSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1cccc(C#N)c1 ZINC000038006394 361664543 /nfs/dbraw/zinc/66/45/43/361664543.db2.gz LFRHWIQPYOSBOD-SNVBAGLBSA-N 1 0 226.283 2.132 20 30 BEEDRO C=CC[N@@H+](C)Cc1c[nH]nc1C(C)(C)C ZINC000154786659 201298247 /nfs/dbraw/zinc/29/82/47/201298247.db2.gz YWJCILZGSPNJGJ-UHFFFAOYSA-N 1 0 207.321 2.325 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000436305762 201320144 /nfs/dbraw/zinc/32/01/44/201320144.db2.gz HFQJKJAURXSHCZ-IHRRRGAJSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CCCOC ZINC000436314090 201320554 /nfs/dbraw/zinc/32/05/54/201320554.db2.gz XPDAJYWVXVGXCX-MJBXVCDLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CCCOC ZINC000436314088 201320821 /nfs/dbraw/zinc/32/08/21/201320821.db2.gz XPDAJYWVXVGXCX-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC(C)(C)C(=O)NC1CC[NH+](CCC)CC1 ZINC000448594465 201383454 /nfs/dbraw/zinc/38/34/54/201383454.db2.gz LULTZOWCHMUNMS-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH+]1CCCCC1 ZINC000448598817 201398109 /nfs/dbraw/zinc/39/81/09/201398109.db2.gz WHYXGRIBAFVTFN-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000161273120 363881342 /nfs/dbraw/zinc/88/13/42/363881342.db2.gz QFGOSLNZEYNACL-AWEZNQCLSA-N 1 0 219.328 2.450 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)c1cn[nH]c1 ZINC000614575383 363888621 /nfs/dbraw/zinc/88/86/21/363888621.db2.gz GBMGCVFUHHEEKJ-LLVKDONJSA-N 1 0 240.310 2.441 20 30 BEEDRO C=C[C@H](C(=O)OC)N1C[C@H](C)CC(C)(C)C1 ZINC000619720339 363924122 /nfs/dbraw/zinc/92/41/22/363924122.db2.gz CRDIUGGOWZUREZ-GHMZBOCLSA-N 1 0 225.332 2.082 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CC(C)(C)CO)cc1 ZINC000294706863 219925234 /nfs/dbraw/zinc/92/52/34/219925234.db2.gz DKAVOEYNTSQRFV-UHFFFAOYSA-N 1 0 231.339 2.118 20 30 BEEDRO C[NH+]1CCC(Nc2ccc(C#N)cc2F)CC1 ZINC000037507410 364093815 /nfs/dbraw/zinc/09/38/15/364093815.db2.gz LWTNLWXNLYDRBG-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000134636772 364408415 /nfs/dbraw/zinc/40/84/15/364408415.db2.gz JCJMMUUFDXLRNW-VXGBXAGGSA-N 1 0 207.321 2.216 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000134636726 364408847 /nfs/dbraw/zinc/40/88/47/364408847.db2.gz JCJMMUUFDXLRNW-NWDGAFQWSA-N 1 0 207.321 2.216 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453191932 202706007 /nfs/dbraw/zinc/70/60/07/202706007.db2.gz GCMFVGAJFPKEMS-HIFRSBDPSA-N 1 0 248.370 2.319 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cnn(CC)c1 ZINC000453354356 202746632 /nfs/dbraw/zinc/74/66/32/202746632.db2.gz NJUGPCVRAQNZDK-BNOWGMLFSA-N 1 0 249.358 2.287 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)c1ccncc1 ZINC000453363257 202751963 /nfs/dbraw/zinc/75/19/63/202751963.db2.gz QSXKIGKEMGLZPP-KBPBESRZSA-N 1 0 234.343 2.449 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000020206208 364668668 /nfs/dbraw/zinc/66/86/68/364668668.db2.gz IQCSIGSWMZRRHV-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615299922 364679518 /nfs/dbraw/zinc/67/95/18/364679518.db2.gz BQMAWXITRJWCDJ-NWDGAFQWSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615319520 364690136 /nfs/dbraw/zinc/69/01/36/364690136.db2.gz RNPKJBDDHGIKQE-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC001642120454 1172322894 /nfs/dbraw/zinc/32/28/94/1172322894.db2.gz NILZTSDOLXHCIM-OLZOCXBDSA-N 1 0 231.343 2.391 20 30 BEEDRO C[C@@H](CC#N)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000596782977 541381402 /nfs/dbraw/zinc/38/14/02/541381402.db2.gz KNKKRIHCAVHPOM-NSHDSACASA-N 1 0 245.326 2.236 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000168217835 364883155 /nfs/dbraw/zinc/88/31/55/364883155.db2.gz GSCNQJAKLVXPHU-WDEREUQCSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000433008229 192973857 /nfs/dbraw/zinc/97/38/57/192973857.db2.gz CJVIKUXNAKKBEK-FQUUOJAGSA-N 1 0 241.375 2.371 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1=O ZINC000574396615 365052409 /nfs/dbraw/zinc/05/24/09/365052409.db2.gz CLVKDMJRCJZCRJ-MELADBBJSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1(COC)CCOCC1 ZINC000574471529 365070881 /nfs/dbraw/zinc/07/08/81/365070881.db2.gz WJUKKSROSBAGHG-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000574311963 365035090 /nfs/dbraw/zinc/03/50/90/365035090.db2.gz FVTUTYXGPMRMTH-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000574324163 365037047 /nfs/dbraw/zinc/03/70/47/365037047.db2.gz HDFWANIVLHUQSO-RDBSUJKOSA-N 1 0 237.391 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC000442781312 192989042 /nfs/dbraw/zinc/98/90/42/192989042.db2.gz PASFDGZRVKVLJI-SNPRPXQTSA-N 1 0 244.338 2.044 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574583119 365097139 /nfs/dbraw/zinc/09/71/39/365097139.db2.gz FBRSOMLPULDKKF-CYBMUJFWSA-N 1 0 244.338 2.442 20 30 BEEDRO CCOCCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442818585 192994471 /nfs/dbraw/zinc/99/44/71/192994471.db2.gz OGAAICIKHURCBY-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CC(C)(C#N)C1 ZINC000574650148 365113252 /nfs/dbraw/zinc/11/32/52/365113252.db2.gz PNZREDHLZAWBOB-ZDUSSCGKSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1ccc(OC)cc1 ZINC000574663166 365116242 /nfs/dbraw/zinc/11/62/42/365116242.db2.gz ZOGQGSBBDQNRBG-GFCCVEGCSA-N 1 0 248.326 2.356 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000574766978 365139327 /nfs/dbraw/zinc/13/93/27/365139327.db2.gz YWSGFODIYIGSHT-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C12CCC2 ZINC000443065856 193012324 /nfs/dbraw/zinc/01/23/24/193012324.db2.gz GMOHKHWMTWJUHQ-VXGBXAGGSA-N 1 0 234.343 2.227 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)C12CCC2 ZINC000443065854 193013027 /nfs/dbraw/zinc/01/30/27/193013027.db2.gz GMOHKHWMTWJUHQ-NWDGAFQWSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000443782399 193029688 /nfs/dbraw/zinc/02/96/88/193029688.db2.gz BTXHETJVKWFFFE-UHIISALHSA-N 1 0 248.326 2.133 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H]2CCC[C@H]2O)ccc1C#N ZINC000444001469 193033654 /nfs/dbraw/zinc/03/36/54/193033654.db2.gz HQBNCXXHEWJHIG-LSDHHAIUSA-N 1 0 244.338 2.117 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC(CF)CC2)nc1 ZINC000575134704 365216757 /nfs/dbraw/zinc/21/67/57/365216757.db2.gz GRKIOCZRIRFTLX-UHFFFAOYSA-N 1 0 233.290 2.135 20 30 BEEDRO C=CCCCCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000575760769 365356813 /nfs/dbraw/zinc/35/68/13/365356813.db2.gz XWFLQSKGEOVZBS-UHFFFAOYSA-N 1 0 247.342 2.017 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccsc2)C1 ZINC000336695467 365359333 /nfs/dbraw/zinc/35/93/33/365359333.db2.gz YWLNDHKYFCWVBM-YUSALJHKSA-N 1 0 236.340 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2ccsc2)C1 ZINC000336695460 365359579 /nfs/dbraw/zinc/35/95/79/365359579.db2.gz YWLNDHKYFCWVBM-JLLWLGSASA-N 1 0 236.340 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000336730400 365366240 /nfs/dbraw/zinc/36/62/40/365366240.db2.gz JZEWMKWZJPNFME-PWSUYJOCSA-N 1 0 204.317 2.458 20 30 BEEDRO C[N@H+](CCOCCC#N)Cc1ccc(F)cc1 ZINC000338885530 365440436 /nfs/dbraw/zinc/44/04/36/365440436.db2.gz YTFJPXHSHXYDQN-UHFFFAOYSA-N 1 0 236.290 2.188 20 30 BEEDRO C=C(C)CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000576003644 365445436 /nfs/dbraw/zinc/44/54/36/365445436.db2.gz UHIIEFDAPBOTBK-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCCOC1)C(C)(C)C ZINC000380255141 366903741 /nfs/dbraw/zinc/90/37/41/366903741.db2.gz QCBGOYSNFCUXHZ-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000576119948 365493229 /nfs/dbraw/zinc/49/32/29/365493229.db2.gz XQKWCABXXPTKLB-CHWSQXEVSA-N 1 0 224.348 2.209 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000183306325 367013265 /nfs/dbraw/zinc/01/32/65/367013265.db2.gz DKRVMROGNSXOCR-CYBMUJFWSA-N 1 0 249.354 2.422 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCn1ccnn1)C1CC1 ZINC000184266631 367071661 /nfs/dbraw/zinc/07/16/61/367071661.db2.gz NSPODYGFEJUIGU-ZDUSSCGKSA-N 1 0 234.347 2.003 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CCCCC#N ZINC000367578528 367085700 /nfs/dbraw/zinc/08/57/00/367085700.db2.gz VSXKAKHPPGJEQK-MEBFFEOJSA-N 1 0 234.343 2.035 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCCC)C1CCC1 ZINC000184873303 367105104 /nfs/dbraw/zinc/10/51/04/367105104.db2.gz UXELJGGBHJCFSY-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC1CCCCC1 ZINC000193225866 367156918 /nfs/dbraw/zinc/15/69/18/367156918.db2.gz GRMYXCOHJLSQKG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ncncc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000580963564 367220614 /nfs/dbraw/zinc/22/06/14/367220614.db2.gz SXNHJQKJFMSHKO-JTQLQIEISA-N 1 0 232.331 2.376 20 30 BEEDRO Cc1ncncc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000580963570 367221008 /nfs/dbraw/zinc/22/10/08/367221008.db2.gz SXNHJQKJFMSHKO-SNVBAGLBSA-N 1 0 232.331 2.376 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581002838 367229803 /nfs/dbraw/zinc/22/98/03/367229803.db2.gz JEDVXFOYBBEWJK-FQUUOJAGSA-N 1 0 236.359 2.067 20 30 BEEDRO COC1(C[C@H](C)[NH2+]CC2(C#N)CC2)CCC1 ZINC000381324645 367381560 /nfs/dbraw/zinc/38/15/60/367381560.db2.gz QHUFQCNRVJUGJQ-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000581497542 367526641 /nfs/dbraw/zinc/52/66/41/367526641.db2.gz ZEGFVCYPJOTVBR-CQSZACIVSA-N 1 0 246.354 2.382 20 30 BEEDRO C=C1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000382587089 367545649 /nfs/dbraw/zinc/54/56/49/367545649.db2.gz UPEXSWKBQQNNBM-CQSZACIVSA-N 1 0 244.338 2.173 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1CC(F)(F)C1 ZINC000383597270 367643570 /nfs/dbraw/zinc/64/35/70/367643570.db2.gz YVRKCJRKSHONJL-VIFPVBQESA-N 1 0 202.248 2.314 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(OC)ns1 ZINC000399149698 367658324 /nfs/dbraw/zinc/65/83/24/367658324.db2.gz GNNIVOBEENUFOO-UHFFFAOYSA-N 1 0 212.318 2.208 20 30 BEEDRO C[NH+](C)CCSc1ccc(C#N)cc1F ZINC000095020302 367675782 /nfs/dbraw/zinc/67/57/82/367675782.db2.gz YICPLSNCXNQRJI-UHFFFAOYSA-N 1 0 224.304 2.351 20 30 BEEDRO C[C@H](CCCO)C[NH2+]CC(C)(C)CCC#N ZINC000384447537 367691713 /nfs/dbraw/zinc/69/17/13/367691713.db2.gz ZZHHGWDMFFCFOT-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)nc2ccccn21)C(C)C ZINC000384551066 367698562 /nfs/dbraw/zinc/69/85/62/367698562.db2.gz SWBRFJXDWQPZFC-ZDUSSCGKSA-N 1 0 241.338 2.390 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000384849788 367742301 /nfs/dbraw/zinc/74/23/01/367742301.db2.gz LAPFDFNWINPSNT-OLZOCXBDSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCN(C2CC2)CC1 ZINC000384861570 367746638 /nfs/dbraw/zinc/74/66/38/367746638.db2.gz OLKKIHDDXSWKES-UHFFFAOYSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000384651032 367711537 /nfs/dbraw/zinc/71/15/37/367711537.db2.gz UOJJCIYPOZGAAT-HBNTYKKESA-N 1 0 215.362 2.061 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000385072683 367782727 /nfs/dbraw/zinc/78/27/27/367782727.db2.gz WUGFGWLEEYQKOG-JTQLQIEISA-N 1 0 207.321 2.283 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccnn1C ZINC000385077705 367783860 /nfs/dbraw/zinc/78/38/60/367783860.db2.gz XYTSHLBRZPWJLZ-JTQLQIEISA-N 1 0 207.321 2.283 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000385136608 367800043 /nfs/dbraw/zinc/80/00/43/367800043.db2.gz HUKDKHYVAAXHHW-UHFFFAOYSA-N 1 0 217.316 2.199 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC000385769528 367863434 /nfs/dbraw/zinc/86/34/34/367863434.db2.gz GNPJUYCDJNYBKN-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO CO[C@H](C)C[N@H+](Cc1ccc(C#N)cn1)C(C)C ZINC000581891835 367881656 /nfs/dbraw/zinc/88/16/56/367881656.db2.gz CIZURSPSMJKOAV-GFCCVEGCSA-N 1 0 247.342 2.199 20 30 BEEDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385953670 367889238 /nfs/dbraw/zinc/88/92/38/367889238.db2.gz NBAWVPDWPIRHHH-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1nccnc1C ZINC000386897433 368032391 /nfs/dbraw/zinc/03/23/91/368032391.db2.gz OGZJPLVURCQWAD-SNVBAGLBSA-N 1 0 205.305 2.402 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000387312837 368150097 /nfs/dbraw/zinc/15/00/97/368150097.db2.gz BPKKQJWIYDORCC-TUAOUCFPSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCN1CCO[C@H](c2ccccc2)C1 ZINC000033952652 368263321 /nfs/dbraw/zinc/26/33/21/368263321.db2.gz RVCFINBSQLHKPW-ZDUSSCGKSA-N 1 0 203.285 2.246 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000615798536 368321764 /nfs/dbraw/zinc/32/17/64/368321764.db2.gz BKWCWMQIDUKXRU-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCN(CCOC)Cc1ccccc1F ZINC000056312500 368468465 /nfs/dbraw/zinc/46/84/65/368468465.db2.gz UXVCYAQHGVRJAJ-UHFFFAOYSA-N 1 0 223.291 2.460 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)CCCSCC#N ZINC000080626621 368524869 /nfs/dbraw/zinc/52/48/69/368524869.db2.gz KNSNUUVVKGKWDA-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+](CC)CC(CC)CC ZINC000153866603 326116570 /nfs/dbraw/zinc/11/65/70/326116570.db2.gz WOEDLCQMMFPLOH-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(OC(F)F)cc1 ZINC000067385538 368687017 /nfs/dbraw/zinc/68/70/17/368687017.db2.gz IJKAWOPVFBVNKC-UHFFFAOYSA-N 1 0 244.241 2.487 20 30 BEEDRO C=CCCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000071028672 368770464 /nfs/dbraw/zinc/77/04/64/368770464.db2.gz MZYBWKWPMARIJG-UHFFFAOYSA-N 1 0 242.282 2.172 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](CNc2ncccc2C#N)C1 ZINC000069142585 368748012 /nfs/dbraw/zinc/74/80/12/368748012.db2.gz KPMHMKCCALIJMC-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(O)CCC(C)CC1 ZINC000083469071 368779690 /nfs/dbraw/zinc/77/96/90/368779690.db2.gz BGLPVRFXRVQTBS-CPCZMJQVSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cncn1C ZINC000309757077 326166534 /nfs/dbraw/zinc/16/65/34/326166534.db2.gz LTKXYTLXGUDWGP-VXGBXAGGSA-N 1 0 221.348 2.153 20 30 BEEDRO Cc1cc(C[N@@H+](C)C(C)(C)CO)ccc1C#N ZINC000618593483 369180313 /nfs/dbraw/zinc/18/03/13/369180313.db2.gz ORYRVGKVBKQRIT-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618743159 369206945 /nfs/dbraw/zinc/20/69/45/369206945.db2.gz YISWMYZTZLYODX-VQISRLSMSA-N 1 0 242.322 2.313 20 30 BEEDRO Cc1cc(C[N@H+](C)C[C@@H](O)C2CC2)ccc1C#N ZINC000618749493 369208445 /nfs/dbraw/zinc/20/84/45/369208445.db2.gz JNHHWDURVVZZBZ-OAHLLOKOSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000618903924 369235110 /nfs/dbraw/zinc/23/51/10/369235110.db2.gz MBVHJDHMCALNIS-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000164646084 203240670 /nfs/dbraw/zinc/24/06/70/203240670.db2.gz KZKRAUYEVLYLRH-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO N#CCC1CC[NH+](CCOC2CCC2)CC1 ZINC000567636957 326235391 /nfs/dbraw/zinc/23/53/91/326235391.db2.gz CMRBZPMHDGTGQH-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO CSC[C@@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000164656318 203248255 /nfs/dbraw/zinc/24/82/55/203248255.db2.gz JMYMVMVMARGZNK-LLVKDONJSA-N 1 0 244.404 2.020 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C1CC(OC(C)C)C1 ZINC000459307883 203253628 /nfs/dbraw/zinc/25/36/28/203253628.db2.gz ABEMMNSARVBPOJ-HIFPTAJRSA-N 1 0 224.348 2.424 20 30 BEEDRO COC(=O)CC1([NH2+]CCC(C)(C)C#N)CCC1 ZINC000459394077 203272970 /nfs/dbraw/zinc/27/29/70/203272970.db2.gz WZQLVVWQJOBNAB-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO C=C(CC)C[NH+]1[C@H](C)CN(CC)C[C@H]1C ZINC000459474931 203286728 /nfs/dbraw/zinc/28/67/28/203286728.db2.gz ZYCHWXGZZBAQPT-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCC#N)C1(CO)CCCC1 ZINC000459518046 203295241 /nfs/dbraw/zinc/29/52/41/203295241.db2.gz BGBSPRKJAVIRQQ-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459435436 203281288 /nfs/dbraw/zinc/28/12/88/203281288.db2.gz PRWRGUOAKAJLQF-UHFFFAOYSA-N 1 0 213.712 2.044 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CC2(CCC2)C1 ZINC000459457670 203283761 /nfs/dbraw/zinc/28/37/61/203283761.db2.gz GQUBMNOZHIZLKM-LLVKDONJSA-N 1 0 209.333 2.093 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459588415 203307919 /nfs/dbraw/zinc/30/79/19/203307919.db2.gz XHYUPCFKKFSJJU-UHFFFAOYSA-N 1 0 217.316 2.410 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356061826 369357234 /nfs/dbraw/zinc/35/72/34/369357234.db2.gz SXGKZADGNMGPOQ-VIFPVBQESA-N 1 0 223.345 2.491 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1CC2(CCC2)C1 ZINC000459571886 203303861 /nfs/dbraw/zinc/30/38/61/203303861.db2.gz ORHPIWHUZNNHQZ-LLVKDONJSA-N 1 0 209.333 2.236 20 30 BEEDRO CC(C)O[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000567789822 326258564 /nfs/dbraw/zinc/25/85/64/326258564.db2.gz FQMTUGFDEFTCNS-RWMBFGLXSA-N 1 0 222.332 2.178 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403645125 369408268 /nfs/dbraw/zinc/40/82/68/369408268.db2.gz IIFPAKAUKMOJGS-GMTAPVOTSA-N 1 0 216.284 2.429 20 30 BEEDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCCC#N ZINC000403914720 369416011 /nfs/dbraw/zinc/41/60/11/369416011.db2.gz OJTOOGIMWNJRTD-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404153377 369420937 /nfs/dbraw/zinc/42/09/37/369420937.db2.gz UBMMLCRNGFNRBL-UHFFFAOYSA-N 1 0 204.248 2.363 20 30 BEEDRO CC[N@@H+](Cc1cc(C#N)cs1)C[C@@H](C)OC ZINC000361023477 369434016 /nfs/dbraw/zinc/43/40/16/369434016.db2.gz VXPYOLINCDXSGF-SNVBAGLBSA-N 1 0 238.356 2.477 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCCO1 ZINC000405118999 369446740 /nfs/dbraw/zinc/44/67/40/369446740.db2.gz GYOQDFSJPOVXIT-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000459659936 203331609 /nfs/dbraw/zinc/33/16/09/203331609.db2.gz AIBOEIGZBMKOCK-LLVKDONJSA-N 1 0 212.337 2.329 20 30 BEEDRO COCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405231600 369449110 /nfs/dbraw/zinc/44/91/10/369449110.db2.gz VXZZTEJAQYNBKW-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cccc(O)c1 ZINC000459695055 203336267 /nfs/dbraw/zinc/33/62/67/203336267.db2.gz OIOKPNWUORFZMQ-UHFFFAOYSA-N 1 0 218.300 2.422 20 30 BEEDRO Cc1ncccc1C[NH2+]CC(C)(C)CC#N ZINC000459684433 203336720 /nfs/dbraw/zinc/33/67/20/203336720.db2.gz CKTYOSCJWYOMEZ-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CCOc3ccccc32)CC1 ZINC000619534974 369467366 /nfs/dbraw/zinc/46/73/66/369467366.db2.gz CHTZAIJMTSRZNI-GFCCVEGCSA-N 1 0 242.322 2.446 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cncs1 ZINC000459728970 203343600 /nfs/dbraw/zinc/34/36/00/203343600.db2.gz JQWHEMKJHVDNTO-UHFFFAOYSA-N 1 0 209.318 2.173 20 30 BEEDRO Cn1ncc(Cl)c1C[NH2+]CC(C)(C)CC#N ZINC000459728875 203343708 /nfs/dbraw/zinc/34/37/08/203343708.db2.gz JNURJDWEIAJSPW-UHFFFAOYSA-N 1 0 240.738 2.103 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCOC1 ZINC000459730450 203343834 /nfs/dbraw/zinc/34/38/34/203343834.db2.gz MIVSIDZCTZTPKH-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)CC#N)n1 ZINC000459731326 203345227 /nfs/dbraw/zinc/34/52/27/203345227.db2.gz NLUNDJYBOPMSQU-UHFFFAOYSA-N 1 0 233.315 2.125 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000459731985 203345310 /nfs/dbraw/zinc/34/53/10/203345310.db2.gz NZVJEMWIOUKJSW-XQQFMLRXSA-N 1 0 248.370 2.473 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000459733156 203345588 /nfs/dbraw/zinc/34/55/88/203345588.db2.gz AGPGHDAUDRKXFS-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCSC1 ZINC000459738254 203349959 /nfs/dbraw/zinc/34/99/59/203349959.db2.gz XWVMONFUXAKIIR-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO CC(C)n1cc(C[NH2+]CC(C)(C)CC#N)cn1 ZINC000459733873 203348290 /nfs/dbraw/zinc/34/82/90/203348290.db2.gz REPMREDAVNHCNO-UHFFFAOYSA-N 1 0 234.347 2.493 20 30 BEEDRO CCOC[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000619568609 369481605 /nfs/dbraw/zinc/48/16/05/369481605.db2.gz GECUGHPBQNWOIB-STQMWFEESA-N 1 0 224.348 2.285 20 30 BEEDRO N#CCSCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763357 203359999 /nfs/dbraw/zinc/35/99/99/203359999.db2.gz CGTBVSFXGYWKPU-GRYCIOLGSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1ccn(C)n1 ZINC000459765674 203361082 /nfs/dbraw/zinc/36/10/82/203361082.db2.gz VODFHCXDDGEABH-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC[N@@H+](CCO)CCc1ccccc1 ZINC000304287685 369497162 /nfs/dbraw/zinc/49/71/62/369497162.db2.gz LTKIYBCMBQFDGJ-UHFFFAOYSA-N 1 0 219.328 2.100 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000619673012 369520850 /nfs/dbraw/zinc/52/08/50/369520850.db2.gz BWUWUXAJGSENGU-QWHCGFSZSA-N 1 0 236.359 2.211 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(C#N)s1 ZINC000165525019 203386065 /nfs/dbraw/zinc/38/60/65/203386065.db2.gz JFYUEEOKSSYPRT-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO Cc1ccc(CN2CC[NH2+][C@H](C)[C@@H]2C)cc1C#N ZINC000600707677 369559794 /nfs/dbraw/zinc/55/97/94/369559794.db2.gz ACLZJNFHXGSNLQ-OLZOCXBDSA-N 1 0 243.354 2.049 20 30 BEEDRO Cc1ccc(CN2CC[NH2+][C@@H](C)[C@H]2C)cc1C#N ZINC000600707678 369559949 /nfs/dbraw/zinc/55/99/49/369559949.db2.gz ACLZJNFHXGSNLQ-QWHCGFSZSA-N 1 0 243.354 2.049 20 30 BEEDRO C[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711241 369560036 /nfs/dbraw/zinc/56/00/36/369560036.db2.gz RXGWUBMHHWPHRI-TYNCELHUSA-N 1 0 243.354 2.349 20 30 BEEDRO Cc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1C#N ZINC000600712540 369560866 /nfs/dbraw/zinc/56/08/66/369560866.db2.gz XZYLPJFFHDQKGI-AWEZNQCLSA-N 1 0 245.370 2.330 20 30 BEEDRO N#Cc1ccc(CNCc2cc[nH]n2)cc1Cl ZINC000619749057 369570907 /nfs/dbraw/zinc/57/09/07/369570907.db2.gz YWIKBAZVSVQNJX-UHFFFAOYSA-N 1 0 246.701 2.225 20 30 BEEDRO N#Cc1c(C(F)F)cccc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600888483 369572081 /nfs/dbraw/zinc/57/20/81/369572081.db2.gz XQCMOLAPJRGQRX-IUCAKERBSA-N 1 0 249.264 2.046 20 30 BEEDRO N#Cc1c(F)cccc1N[C@H]1CC[NH2+]C12CCC2 ZINC000600951699 369578277 /nfs/dbraw/zinc/57/82/77/369578277.db2.gz TUOBLYDYBVQIGJ-ZDUSSCGKSA-N 1 0 245.301 2.394 20 30 BEEDRO CCC[C@H](CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000601139838 369594746 /nfs/dbraw/zinc/59/47/46/369594746.db2.gz LJXAQJGRFKSGOR-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO CC(C)(F)C[NH2+]Cc1ccc(C#N)cc1 ZINC000601136501 369595767 /nfs/dbraw/zinc/59/57/67/369595767.db2.gz GKWCJJUHTFDBIQ-UHFFFAOYSA-N 1 0 206.264 2.396 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]Cc1cc(C#N)cs1 ZINC000601140319 369596426 /nfs/dbraw/zinc/59/64/26/369596426.db2.gz UDZQRYFFFMCJQQ-NSHDSACASA-N 1 0 238.356 2.260 20 30 BEEDRO Cc1cc(C#N)cc(N(CC[NH+](C)C)C(C)C)n1 ZINC000601144013 369596690 /nfs/dbraw/zinc/59/66/90/369596690.db2.gz NMFBYBXGQDYVCY-UHFFFAOYSA-N 1 0 246.358 2.038 20 30 BEEDRO CCn1nccc1CCN1CCC[C@@](C)(C#N)C1 ZINC000619809066 369599022 /nfs/dbraw/zinc/59/90/22/369599022.db2.gz RASJFELLFHLESW-AWEZNQCLSA-N 1 0 246.358 2.071 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619904450 369635572 /nfs/dbraw/zinc/63/55/72/369635572.db2.gz KPLHJXTTWZOBNP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000602016908 369737164 /nfs/dbraw/zinc/73/71/64/369737164.db2.gz JVBXGWYRKRNDPO-UONOGXRCSA-N 1 0 248.301 2.090 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CC1CCOCC1 ZINC000602004685 369733549 /nfs/dbraw/zinc/73/35/49/369733549.db2.gz WYSCXCVKVMXACO-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CC[C@H]1CCCO1 ZINC000602006292 369734135 /nfs/dbraw/zinc/73/41/35/369734135.db2.gz SJYZUCWZVAQYES-GFCCVEGCSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCOCC1 ZINC000602016433 369734898 /nfs/dbraw/zinc/73/48/98/369734898.db2.gz WEXXDWGABQUJIJ-LBPRGKRZSA-N 1 0 248.301 2.356 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000602017512 369736348 /nfs/dbraw/zinc/73/63/48/369736348.db2.gz OCKRONBSHUUNJN-QAVQXKDTSA-N 1 0 248.301 2.114 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCCC(F)(F)F)n1 ZINC000602555746 369812034 /nfs/dbraw/zinc/81/20/34/369812034.db2.gz ORBWXYHEMRBICF-UHFFFAOYSA-N 1 0 243.232 2.385 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCCC2CC2)n1 ZINC000602555286 369812333 /nfs/dbraw/zinc/81/23/33/369812333.db2.gz FMVFAYNZKCNSOU-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO CCCC[C@H](COC)[NH2+]Cc1cccc(C#N)n1 ZINC000602555279 369812427 /nfs/dbraw/zinc/81/24/27/369812427.db2.gz FEPYTHBWCFWEBO-CQSZACIVSA-N 1 0 247.342 2.248 20 30 BEEDRO CC(C)C1(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602564478 369815030 /nfs/dbraw/zinc/81/50/30/369815030.db2.gz SOIMUSWGFPUXBT-UHFFFAOYSA-N 1 0 229.327 2.479 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CCCCO1 ZINC000602588274 369819574 /nfs/dbraw/zinc/81/95/74/369819574.db2.gz UMOZVIYHRXLDQM-BXUZGUMPSA-N 1 0 245.326 2.000 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@H+]1C ZINC000620305951 369821942 /nfs/dbraw/zinc/82/19/42/369821942.db2.gz XNCPDUYQKAVZTJ-HZSPNIEDSA-N 1 0 248.370 2.180 20 30 BEEDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000602602968 369826536 /nfs/dbraw/zinc/82/65/36/369826536.db2.gz GMGMTKNTQWJQCV-ZDUSSCGKSA-N 1 0 245.326 2.260 20 30 BEEDRO CC1(C)CC(C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602630363 369831989 /nfs/dbraw/zinc/83/19/89/369831989.db2.gz UTHJBGODNPDIDN-UHFFFAOYSA-N 1 0 229.327 2.479 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1F ZINC000602680753 369841267 /nfs/dbraw/zinc/84/12/67/369841267.db2.gz GQPCQIDPZWEWBZ-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)CCS1 ZINC000602633276 369832161 /nfs/dbraw/zinc/83/21/61/369832161.db2.gz GBJIYYMMQVAEON-LLVKDONJSA-N 1 0 247.367 2.281 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602646118 369834105 /nfs/dbraw/zinc/83/41/05/369834105.db2.gz QFIRQKGFIUTSKU-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO CCC[C@]1([NH2+]Cc2cccc(C#N)n2)CCOC1 ZINC000602660279 369836446 /nfs/dbraw/zinc/83/64/46/369836446.db2.gz BKCLYVNPJYJDAO-AWEZNQCLSA-N 1 0 245.326 2.002 20 30 BEEDRO COC1(CC[NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602676098 369838369 /nfs/dbraw/zinc/83/83/69/369838369.db2.gz RBMUWMMLUXYRFN-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO CC[C@]1(O)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000602742465 369849329 /nfs/dbraw/zinc/84/93/29/369849329.db2.gz ZEOKAAHQYHHZLG-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000602758907 369849492 /nfs/dbraw/zinc/84/94/92/369849492.db2.gz JDQYTYYREMDHMZ-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000602929943 369865572 /nfs/dbraw/zinc/86/55/72/369865572.db2.gz AKCSNTOGHIAUDR-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388194399 369902106 /nfs/dbraw/zinc/90/21/06/369902106.db2.gz NOFOMGAZBJGXOS-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000110718298 369966179 /nfs/dbraw/zinc/96/61/79/369966179.db2.gz SEKPKMUNZXVXOK-ZDUSSCGKSA-N 1 0 243.354 2.084 20 30 BEEDRO CC[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251826871 369973627 /nfs/dbraw/zinc/97/36/27/369973627.db2.gz PQEHUDYAUASPFW-HUUCEWRRSA-N 1 0 243.354 2.117 20 30 BEEDRO Cc1nc(C(C)C)ccc1Cn1cc(C#N)nn1 ZINC000603333499 369926572 /nfs/dbraw/zinc/92/65/72/369926572.db2.gz GSUCCFGZXHFTMO-UHFFFAOYSA-N 1 0 241.298 2.025 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CC[C@@H](CC(C)C)C1 ZINC000307814708 370048415 /nfs/dbraw/zinc/04/84/15/370048415.db2.gz LGBGBEYMJVJXQS-NWDGAFQWSA-N 1 0 225.332 2.082 20 30 BEEDRO CC1(C)CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000063067188 370125543 /nfs/dbraw/zinc/12/55/43/370125543.db2.gz ZCXPSXBZNIJNSY-CQSZACIVSA-N 1 0 244.338 2.466 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621156939 370128421 /nfs/dbraw/zinc/12/84/21/370128421.db2.gz LKLFBPDLIFRTDM-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621156554 370128739 /nfs/dbraw/zinc/12/87/39/370128739.db2.gz CBNPVCQOISMMRY-OCCSQVGLSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621159651 370131553 /nfs/dbraw/zinc/13/15/53/370131553.db2.gz OXTCQDJFOZSUEI-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+]C(C)(C)CN(C)C ZINC000308635660 370148933 /nfs/dbraw/zinc/14/89/33/370148933.db2.gz JFQLOFUHVFCMNG-UHFFFAOYSA-N 1 0 245.370 2.297 20 30 BEEDRO CC(C)[N@H+](CCC#N)CCC1CCOCC1 ZINC000309656798 370241077 /nfs/dbraw/zinc/24/10/77/370241077.db2.gz WEBAOWBQVZAREB-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621685708 370436016 /nfs/dbraw/zinc/43/60/16/370436016.db2.gz JIRABOHLVQHDOQ-UKRRQHHQSA-N 1 0 248.370 2.095 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)NCCCCC ZINC000077176944 370398540 /nfs/dbraw/zinc/39/85/40/370398540.db2.gz UHOCCNGYZLMAGL-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC1CC[NH+](Cc2nccnc2C)CC1 ZINC000621715694 370462599 /nfs/dbraw/zinc/46/25/99/370462599.db2.gz DCISSHQBMCDMKZ-UHFFFAOYSA-N 1 0 217.316 2.183 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@H]1O ZINC000275418319 371100903 /nfs/dbraw/zinc/10/09/03/371100903.db2.gz HFULJICZFJFADT-CQSZACIVSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CN(Cc2ccc(C#N)o2)C[C@H](C)S1 ZINC000092540645 371105437 /nfs/dbraw/zinc/10/54/37/371105437.db2.gz YITQXSLWFTTXAL-UWVGGRQHSA-N 1 0 236.340 2.477 20 30 BEEDRO C[NH+]1CCC(Nc2cccc(C#N)c2)CC1 ZINC000019921954 371202527 /nfs/dbraw/zinc/20/25/27/371202527.db2.gz COQCKAVPEXIDHS-UHFFFAOYSA-N 1 0 215.300 2.064 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623994874 371227986 /nfs/dbraw/zinc/22/79/86/371227986.db2.gz GRJHRYSWQPOWCB-CRWXNKLISA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623996550 371229411 /nfs/dbraw/zinc/22/94/11/371229411.db2.gz KKONHYHPNVTOHO-GHMZBOCLSA-N 1 0 240.372 2.429 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ncc[nH]1 ZINC000124752871 371230596 /nfs/dbraw/zinc/23/05/96/371230596.db2.gz JAJFUYPACCDYCZ-JTQLQIEISA-N 1 0 220.320 2.390 20 30 BEEDRO CCn1nccc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000125209448 371301534 /nfs/dbraw/zinc/30/15/34/371301534.db2.gz BLMITKUNHPGKHS-UHFFFAOYSA-N 1 0 240.310 2.064 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631074484 371356402 /nfs/dbraw/zinc/35/64/02/371356402.db2.gz AYNFHLQZXRXMCF-LLVKDONJSA-N 1 0 233.359 2.353 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1COCCN1C ZINC000624173212 371363919 /nfs/dbraw/zinc/36/39/19/371363919.db2.gz BDBYCJJFNXCQEO-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccco1 ZINC000624132066 371334035 /nfs/dbraw/zinc/33/40/35/371334035.db2.gz DWRXVUIHXKFEJE-SRVKXCTJSA-N 1 0 248.326 2.140 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624344151 371489287 /nfs/dbraw/zinc/48/92/87/371489287.db2.gz GPPJDKYNKYFGKI-AAEUAGOBSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624344153 371489420 /nfs/dbraw/zinc/48/94/20/371489420.db2.gz GPPJDKYNKYFGKI-WCQYABFASA-N 1 0 236.359 2.084 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cc(C#N)cs2)[C@H](C)C1 ZINC000334155759 371506079 /nfs/dbraw/zinc/50/60/79/371506079.db2.gz WGRIWHGXIZMVQK-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1C#N ZINC000335178652 371529769 /nfs/dbraw/zinc/52/97/69/371529769.db2.gz NOBAMJVVBPXYJH-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]Cc1ncc[nH]1 ZINC000631222321 372245143 /nfs/dbraw/zinc/24/51/43/372245143.db2.gz VPWAMWJHFNESQJ-UHFFFAOYSA-N 1 0 207.321 2.492 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000631679482 372505209 /nfs/dbraw/zinc/50/52/09/372505209.db2.gz HVGIOTHMOXGZLR-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000140451265 372679961 /nfs/dbraw/zinc/67/99/61/372679961.db2.gz DECAPZQFHBLBAW-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000172180486 372899421 /nfs/dbraw/zinc/89/94/21/372899421.db2.gz DRAMZEGLJBVJFU-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C1 ZINC000414350533 205758466 /nfs/dbraw/zinc/75/84/66/205758466.db2.gz ZLBKSFWNTREYLU-ZOBORPQBSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](C)C(=O)N(C)C ZINC000188993178 205846321 /nfs/dbraw/zinc/84/63/21/205846321.db2.gz WEHNMSOLRGYFEY-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000189330547 205861782 /nfs/dbraw/zinc/86/17/82/205861782.db2.gz BDMWHQOUVOGUTL-RVMXOQNASA-N 1 0 211.349 2.338 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000190920643 205921129 /nfs/dbraw/zinc/92/11/29/205921129.db2.gz CPYWUCHMUIMYRZ-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)N[C@H](C)CCC[NH3+] ZINC000417980554 205970076 /nfs/dbraw/zinc/97/00/76/205970076.db2.gz KPLUOXXQJPJTRQ-VXGBXAGGSA-N 1 0 241.379 2.158 20 30 BEEDRO Cc1cccc(OCCN[C@@H](C)CC#N)c1 ZINC000042896677 374297424 /nfs/dbraw/zinc/29/74/24/374297424.db2.gz KXPLVRDZHWMABH-LBPRGKRZSA-N 1 0 218.300 2.266 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1(CO)CCC1 ZINC000184358967 206012046 /nfs/dbraw/zinc/01/20/46/206012046.db2.gz SUBZRTLFFAIOAI-UHFFFAOYSA-N 1 0 224.348 2.069 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000459777040 206016615 /nfs/dbraw/zinc/01/66/15/206016615.db2.gz NXEGTESGCZPWNQ-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO C[N@H+](CCn1ccc(C#N)c1)Cc1ccccc1 ZINC000418918197 206023130 /nfs/dbraw/zinc/02/31/30/206023130.db2.gz CIXKBNLLCCPRAB-UHFFFAOYSA-N 1 0 239.322 2.492 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)Cc1ccccc1 ZINC000289576521 206028338 /nfs/dbraw/zinc/02/83/38/206028338.db2.gz BFXGZBCPRSXKKV-ZIAGYGMSSA-N 1 0 219.328 2.144 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(C)ncn1 ZINC000428228492 206054486 /nfs/dbraw/zinc/05/44/86/206054486.db2.gz CDOOYWMISKIUHK-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451593385 206108843 /nfs/dbraw/zinc/10/88/43/206108843.db2.gz HQFGDBCMDFGFPH-KGLIPLIRSA-N 1 0 243.391 2.068 20 30 BEEDRO C[NH+](C)CC(C)(C)NCC#Cc1ccc(F)cc1 ZINC000459544699 206134257 /nfs/dbraw/zinc/13/42/57/206134257.db2.gz FCYCNDXDBKUECM-UHFFFAOYSA-N 1 0 248.345 2.107 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)OC ZINC000404169161 269675339 /nfs/dbraw/zinc/67/53/39/269675339.db2.gz VBRSJFKPYAPGLH-LBPRGKRZSA-N 1 0 236.290 2.212 20 30 BEEDRO OC[C@@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000151225272 183122923 /nfs/dbraw/zinc/12/29/23/183122923.db2.gz ZFSSRCTXDULCJU-CYBMUJFWSA-N 1 0 249.741 2.006 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccnc(C#N)c1 ZINC000290930375 169125911 /nfs/dbraw/zinc/12/59/11/169125911.db2.gz YUCZOHJAILCBMW-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)O ZINC000192968498 169175233 /nfs/dbraw/zinc/17/52/33/169175233.db2.gz CFVONAVHNYVAPY-GFCCVEGCSA-N 1 0 232.327 2.151 20 30 BEEDRO CCC[N@@H+]1CCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000353131128 169196293 /nfs/dbraw/zinc/19/62/93/169196293.db2.gz ASLJJUSWGQXWEQ-GFCCVEGCSA-N 1 0 247.342 2.115 20 30 BEEDRO C[C@@H](NCc1cc(C#N)ccn1)c1ccns1 ZINC001644059370 1172521932 /nfs/dbraw/zinc/52/19/32/1172521932.db2.gz VTBLVTOYLXFFFS-SECBINFHSA-N 1 0 244.323 2.261 20 30 BEEDRO CCC[C@@H](C)C[N@@H+](CCC#N)CCOC ZINC000070846130 169357672 /nfs/dbraw/zinc/35/76/72/169357672.db2.gz KKXGHFOESDMGPB-GFCCVEGCSA-N 1 0 212.337 2.285 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000080524775 169382931 /nfs/dbraw/zinc/38/29/31/169382931.db2.gz NYLRMUKEHLDHDF-ZDUSSCGKSA-N 1 0 246.354 2.447 20 30 BEEDRO CCC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)OC ZINC000293760161 169384334 /nfs/dbraw/zinc/38/43/34/169384334.db2.gz UXNMXKUFEXYVJV-AWEZNQCLSA-N 1 0 232.327 2.463 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CCC(N)=O ZINC000059325161 1172528295 /nfs/dbraw/zinc/52/82/95/1172528295.db2.gz ZCAVOZRWMDIYOA-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001644370634 1172550731 /nfs/dbraw/zinc/55/07/31/1172550731.db2.gz BKXSBOQOPPPXLZ-OLZOCXBDSA-N 1 0 244.342 2.348 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC001644470286 1172562398 /nfs/dbraw/zinc/56/23/98/1172562398.db2.gz WJTMERCCDFWAFB-HNNXBMFYSA-N 1 0 242.366 2.468 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccccc1Cl ZINC000184287606 134361786 /nfs/dbraw/zinc/36/17/86/134361786.db2.gz ORTYSZBTGWOAFK-LLVKDONJSA-N 1 0 225.719 2.367 20 30 BEEDRO C[N@H+](CCc1ccncc1)CCC(C)(C)C#N ZINC000087595205 383851036 /nfs/dbraw/zinc/85/10/36/383851036.db2.gz DLIAVFIUQVXEJL-UHFFFAOYSA-N 1 0 231.343 2.496 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)Nc1cccc(C#N)n1 ZINC000081595867 383865586 /nfs/dbraw/zinc/86/55/86/383865586.db2.gz YAHCRPOZRCJKCY-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO COc1ccc(CN(C)C[C@@H](C)C#N)cc1C#N ZINC000087829057 383870867 /nfs/dbraw/zinc/87/08/67/383870867.db2.gz ALLOKIWVFSEAQO-NSHDSACASA-N 1 0 243.310 2.158 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCCOC1 ZINC000334427140 383876882 /nfs/dbraw/zinc/87/68/82/383876882.db2.gz ZSYMANPFCWNWGH-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO CC(C)[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000283660339 383877726 /nfs/dbraw/zinc/87/77/26/383877726.db2.gz BTBQRZBACXASEK-AWEZNQCLSA-N 1 0 232.327 2.007 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090919545 383918178 /nfs/dbraw/zinc/91/81/78/383918178.db2.gz ZWMRGRHZKGUITH-JTQLQIEISA-N 1 0 217.268 2.089 20 30 BEEDRO CC[C@H](CSC)[N@H+](C)CCCC#N ZINC000091097200 383925986 /nfs/dbraw/zinc/92/59/86/383925986.db2.gz UQUFOENMAGZIKP-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO C=CCCCC[N@@H+](C)CCN1CCCC1 ZINC000560218277 383979547 /nfs/dbraw/zinc/97/95/47/383979547.db2.gz SAVDJSOLBDRGCO-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000116926458 383941071 /nfs/dbraw/zinc/94/10/71/383941071.db2.gz ROMGWUVEGXKESZ-JTQLQIEISA-N 1 0 249.310 2.478 20 30 BEEDRO CC1(C)CC[NH+](CC#CC[N@H+]2CCC(C)(C)C2)C1 ZINC000560160301 383948436 /nfs/dbraw/zinc/94/84/36/383948436.db2.gz ZROUKLIOBHLCCR-UHFFFAOYSA-N 1 0 248.414 2.454 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647215892 384006809 /nfs/dbraw/zinc/00/68/09/384006809.db2.gz LFYSPMACPORYAH-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C#N)cc1 ZINC000038088808 384055272 /nfs/dbraw/zinc/05/52/72/384055272.db2.gz UCOLEXRUQJMKMC-RYUDHWBXSA-N 1 0 231.343 2.159 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)s1)OC ZINC000289422007 384094694 /nfs/dbraw/zinc/09/46/94/384094694.db2.gz BPQBEHPKGZNASI-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000449516924 384134671 /nfs/dbraw/zinc/13/46/71/384134671.db2.gz IFQYLGPKAZPAAG-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)c1ccccc1Cl ZINC000299177467 384122551 /nfs/dbraw/zinc/12/25/51/384122551.db2.gz YZMNUCOBBMKPDR-CYBMUJFWSA-N 1 0 237.730 2.329 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2F)CCOC1 ZINC000344369676 384127736 /nfs/dbraw/zinc/12/77/36/384127736.db2.gz CZQCGBGJYMNLNN-AWEZNQCLSA-N 1 0 248.301 2.214 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000560618681 384158212 /nfs/dbraw/zinc/15/82/12/384158212.db2.gz KERZVPAZLXODAE-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000300120852 384171881 /nfs/dbraw/zinc/17/18/81/384171881.db2.gz QDQWIMYQBIUZQS-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO COc1cc(CN2CCSCC2)ccc1C#N ZINC000234990875 384169693 /nfs/dbraw/zinc/16/96/93/384169693.db2.gz XHQYKMVXOYGXPW-UHFFFAOYSA-N 1 0 248.351 2.116 20 30 BEEDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000313150516 384239191 /nfs/dbraw/zinc/23/91/91/384239191.db2.gz LDTBHNKIQSNRGB-NWDGAFQWSA-N 1 0 238.356 2.259 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132862883 384217201 /nfs/dbraw/zinc/21/72/01/384217201.db2.gz KSONQBUXLRIFCJ-RVMXOQNASA-N 1 0 221.344 2.498 20 30 BEEDRO CC(C)(CF)[NH2+]Cc1cc(C#N)cs1 ZINC000336674693 384248088 /nfs/dbraw/zinc/24/80/88/384248088.db2.gz BONXURVLEWVGLJ-UHFFFAOYSA-N 1 0 212.293 2.457 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCCC#N)[C@H](C)C1 ZINC000308773122 384249322 /nfs/dbraw/zinc/24/93/22/384249322.db2.gz YFFDIEAWGVAITG-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@H](C)O1 ZINC000414517217 384262261 /nfs/dbraw/zinc/26/22/61/384262261.db2.gz QDVPMYJJFXGAPP-XUJVJEKNSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000313338638 384271566 /nfs/dbraw/zinc/27/15/66/384271566.db2.gz ZSTQBGRPSLOXLO-AWEZNQCLSA-N 1 0 244.338 2.126 20 30 BEEDRO CC[C@H](C[NH2+]Cc1cccc(C#N)c1)OC ZINC000289792641 384241449 /nfs/dbraw/zinc/24/14/49/384241449.db2.gz LNPARODBQYZOEN-CYBMUJFWSA-N 1 0 218.300 2.073 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCCSCC#N ZINC000174134633 384305212 /nfs/dbraw/zinc/30/52/12/384305212.db2.gz CXEXPDOFHGSDBS-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO C=C(C)CN1CC[C@H](C[NH+](CC)CC)C1 ZINC000174209381 384306214 /nfs/dbraw/zinc/30/62/14/384306214.db2.gz FTUSBHUNGXQLEX-CYBMUJFWSA-N 1 0 210.365 2.226 20 30 BEEDRO C#CCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000104365199 533054354 /nfs/dbraw/zinc/05/43/54/533054354.db2.gz MJAFABQHXFBBKY-UHFFFAOYSA-N 1 0 228.339 2.140 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(C#N)o1 ZINC000289802823 384300379 /nfs/dbraw/zinc/30/03/79/384300379.db2.gz KZXQINVTKNDNOB-GFCCVEGCSA-N 1 0 249.358 2.361 20 30 BEEDRO CCN(CC[NH2+]Cc1cc(C#N)cs1)C1CC1 ZINC000177694368 384344930 /nfs/dbraw/zinc/34/49/30/384344930.db2.gz OAMVWMMJOQLVKU-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO CCc1ncc(C[NH2+]CCCCC#N)s1 ZINC000084021387 384354416 /nfs/dbraw/zinc/35/44/16/384354416.db2.gz ZAULCNFBAVUNFZ-UHFFFAOYSA-N 1 0 223.345 2.489 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)OC)cc1 ZINC000188113012 384360330 /nfs/dbraw/zinc/36/03/30/384360330.db2.gz RTYINDZBYWKQTQ-QWHCGFSZSA-N 1 0 247.338 2.384 20 30 BEEDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccc(C#N)cc1 ZINC000226595174 384364680 /nfs/dbraw/zinc/36/46/80/384364680.db2.gz VUIYXXQKTZNXES-ZLKJLUDKSA-N 1 0 244.338 2.368 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCC)C1CCCC1 ZINC000313430132 384364498 /nfs/dbraw/zinc/36/44/98/384364498.db2.gz PSJKNKXFXWUXIA-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCNC(C)(C)c1noc(CC)n1 ZINC000330363878 384365185 /nfs/dbraw/zinc/36/51/85/384365185.db2.gz XDMVXOQXCOVIAT-UHFFFAOYSA-N 1 0 209.293 2.033 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)CCC(C)C)C1CC1 ZINC000361302884 384367547 /nfs/dbraw/zinc/36/75/47/384367547.db2.gz AAOBSGPYKGLTIF-ZDUSSCGKSA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1ccccc1C#N ZINC000335757710 384372377 /nfs/dbraw/zinc/37/23/77/384372377.db2.gz MITCWDGFTWVDDN-QWHCGFSZSA-N 1 0 243.354 2.083 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000490743019 384372503 /nfs/dbraw/zinc/37/25/03/384372503.db2.gz ZVGOYTYLCVNSHQ-OAHLLOKOSA-N 1 0 231.339 2.292 20 30 BEEDRO N#CCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC000335620200 384396853 /nfs/dbraw/zinc/39/68/53/384396853.db2.gz MBDXSSZQCWCRGX-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000313493239 384420636 /nfs/dbraw/zinc/42/06/36/384420636.db2.gz PZWSAYOAGPCZPP-GFCCVEGCSA-N 1 0 219.332 2.353 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnn2ccccc12 ZINC000313491570 384421418 /nfs/dbraw/zinc/42/14/18/384421418.db2.gz ZTCXVABFROYUOS-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)c1ccc(F)cc1C ZINC000490741530 384375594 /nfs/dbraw/zinc/37/55/94/384375594.db2.gz SGPMVMPSSAEYIJ-CQSZACIVSA-N 1 0 235.302 2.123 20 30 BEEDRO CSC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000076768692 384383221 /nfs/dbraw/zinc/38/32/21/384383221.db2.gz LBXZIFILFBICSZ-JTQLQIEISA-N 1 0 220.341 2.399 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@H]2CCOC2)ccc1C#N ZINC000335863221 384383344 /nfs/dbraw/zinc/38/33/44/384383344.db2.gz CEEOCFPOTDAOJO-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO C=CCCCCCNC(=O)c1coc(C[NH3+])c1 ZINC000521370109 384425578 /nfs/dbraw/zinc/42/55/78/384425578.db2.gz LJVHSDQVLAVLIJ-UHFFFAOYSA-N 1 0 236.315 2.215 20 30 BEEDRO C#CC[N@H+](CC)CCOCCOc1ccccc1 ZINC000490779459 384387069 /nfs/dbraw/zinc/38/70/69/384387069.db2.gz WMSMZXJKERTVOF-UHFFFAOYSA-N 1 0 247.338 2.037 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000165166819 384387417 /nfs/dbraw/zinc/38/74/17/384387417.db2.gz UGYWMOYGAUBULM-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000566406507 384388125 /nfs/dbraw/zinc/38/81/25/384388125.db2.gz LDLWPXIQMAXFAX-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162838 384388330 /nfs/dbraw/zinc/38/83/30/384388330.db2.gz NBCAHYZEYGYEFY-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO CC(C)(CCO)C[NH2+]Cc1cc(C#N)cs1 ZINC000165168493 384388428 /nfs/dbraw/zinc/38/84/28/384388428.db2.gz RVAYOZJRQMVDJV-UHFFFAOYSA-N 1 0 238.356 2.118 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@](C)(O)CSC ZINC000153664594 384449822 /nfs/dbraw/zinc/44/98/22/384449822.db2.gz DURJVRHMCHUUIZ-VXGBXAGGSA-N 1 0 231.405 2.435 20 30 BEEDRO C=CCCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361386888 384452943 /nfs/dbraw/zinc/45/29/43/384452943.db2.gz QOGAUFPGQRZKDR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc(C#N)c1 ZINC000235532146 384433564 /nfs/dbraw/zinc/43/35/64/384433564.db2.gz JVQITQJKMUXURL-CORIIIEPSA-N 1 0 244.338 2.370 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc(F)cc1 ZINC000159561278 384434364 /nfs/dbraw/zinc/43/43/64/384434364.db2.gz XHANGGAWAQGDJC-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000313504643 384434892 /nfs/dbraw/zinc/43/48/92/384434892.db2.gz WMMOUGPCVWEHJP-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000313510022 384440434 /nfs/dbraw/zinc/44/04/34/384440434.db2.gz ZVLAIVUDVFFNTK-UHFFFAOYSA-N 1 0 246.310 2.073 20 30 BEEDRO C[C@H]([NH2+]CC1(CCO)CC1)c1cccc(C#N)c1 ZINC000157453538 384479601 /nfs/dbraw/zinc/47/96/01/384479601.db2.gz LBFPQHZASWECGZ-LBPRGKRZSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CCOCC[N@H+](Cc1ccccn1)C(C)C ZINC000559049771 384500923 /nfs/dbraw/zinc/50/09/23/384500923.db2.gz YWTSQMSUJIQZSZ-UHFFFAOYSA-N 1 0 234.343 2.495 20 30 BEEDRO COC[C@@H]([NH2+]CCC(C)(C)C#N)C(C)C ZINC000083638958 384502782 /nfs/dbraw/zinc/50/27/82/384502782.db2.gz RAXAVQWGTDYCCA-LLVKDONJSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH+]2CCC(CC#N)CC2)O1 ZINC000335697769 384488690 /nfs/dbraw/zinc/48/86/90/384488690.db2.gz NROGHZMOPTVOBU-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCCCn1cccn1 ZINC000161775822 384524024 /nfs/dbraw/zinc/52/40/24/384524024.db2.gz FGVNCNHBHCCCHU-CYBMUJFWSA-N 1 0 234.347 2.287 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+]CCCCC#N)CCO1 ZINC000309718210 384548610 /nfs/dbraw/zinc/54/86/10/384548610.db2.gz UXDSYGYZITVXCT-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000309586441 384561343 /nfs/dbraw/zinc/56/13/43/384561343.db2.gz RXSDIWBCKURPSQ-FRRDWIJNSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000643794186 384540963 /nfs/dbraw/zinc/54/09/63/384540963.db2.gz IXGLKNNJDUEKRM-CRWXNKLISA-N 1 0 239.359 2.125 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449252782 384571559 /nfs/dbraw/zinc/57/15/59/384571559.db2.gz WKHQLOCSBYIMDX-IDDSQGAKSA-N 1 0 236.359 2.376 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)C1CCOCC1 ZINC000309589569 384578477 /nfs/dbraw/zinc/57/84/77/384578477.db2.gz UIYFRCIRJBKYKM-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])Nc1ccc(OC)cc1 ZINC000491765235 384588292 /nfs/dbraw/zinc/58/82/92/384588292.db2.gz FERDZSHPIGUENV-NSHDSACASA-N 1 0 245.326 2.433 20 30 BEEDRO OC[C@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000293084700 384616233 /nfs/dbraw/zinc/61/62/33/384616233.db2.gz JYSVYRGKAYUWGQ-INIZCTEOSA-N 1 0 243.350 2.133 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000232513219 259654882 /nfs/dbraw/zinc/65/48/82/259654882.db2.gz BWFVCTSXHQOBFK-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)OC ZINC000289709483 384633510 /nfs/dbraw/zinc/63/35/10/384633510.db2.gz FILMZPQSMLUTID-CYBMUJFWSA-N 1 0 248.326 2.081 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCC(C)(C)C ZINC000309764878 384592574 /nfs/dbraw/zinc/59/25/74/384592574.db2.gz NKJHDXUNFMLHHV-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO COCC1(CC[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000564960914 384593828 /nfs/dbraw/zinc/59/38/28/384593828.db2.gz KLVCZSCEOSQRCQ-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000042338060 384637427 /nfs/dbraw/zinc/63/74/27/384637427.db2.gz VNCDXHFURIRZFQ-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO CC1(C)COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000335111113 384640920 /nfs/dbraw/zinc/64/09/20/384640920.db2.gz NNHWQNKGVJPYFN-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C#CC[N@H+](CCOC1CCC1)C1CCCC1 ZINC000491774054 384643599 /nfs/dbraw/zinc/64/35/99/384643599.db2.gz VRKVULDKDYKBSM-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000289706601 384645055 /nfs/dbraw/zinc/64/50/55/384645055.db2.gz FAUQUCWOAHRLFL-ZJUUUORDSA-N 1 0 236.290 2.210 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309840725 384661156 /nfs/dbraw/zinc/66/11/56/384661156.db2.gz CZFZUFJSXPMENU-ZDEQEGDKSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H](C[NH3+])CCCC ZINC000236877490 384685149 /nfs/dbraw/zinc/68/51/49/384685149.db2.gz MMOIHRWCWJONAK-CYBMUJFWSA-N 1 0 238.375 2.389 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc(C#N)c1 ZINC000135315055 384700243 /nfs/dbraw/zinc/70/02/43/384700243.db2.gz FELPDLDJFUFZPP-COPLHBTASA-N 1 0 230.311 2.386 20 30 BEEDRO CC1(C)CCC[C@@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000601315010 384701141 /nfs/dbraw/zinc/70/11/41/384701141.db2.gz DCQWHTHMYJMLJP-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000309674477 384717887 /nfs/dbraw/zinc/71/78/87/384717887.db2.gz LGEMSBZXFGUPNT-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000155440901 384718915 /nfs/dbraw/zinc/71/89/15/384718915.db2.gz OYVXRLYKQHWUPN-ZDUSSCGKSA-N 1 0 238.375 2.244 20 30 BEEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)Cn1ccnc1 ZINC000174318230 384774596 /nfs/dbraw/zinc/77/45/96/384774596.db2.gz BONOMZLVGYXTOX-ZDUSSCGKSA-N 1 0 248.374 2.439 20 30 BEEDRO C=C(C[NH2+][C@H]1CO[C@H](C)C1)c1ccccc1 ZINC000402372014 384729363 /nfs/dbraw/zinc/72/93/63/384729363.db2.gz YREHPENESSXDTC-TZMCWYRMSA-N 1 0 217.312 2.467 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000309973107 384756021 /nfs/dbraw/zinc/75/60/21/384756021.db2.gz QROIKVXYQRRAQW-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000309977664 384759896 /nfs/dbraw/zinc/75/98/96/384759896.db2.gz UMQLUWOZTNXUGJ-QJPTWQEYSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCCC[N@@H+]([C@H](C)C(=O)OCC)C1CC1 ZINC000190821136 384817651 /nfs/dbraw/zinc/81/76/51/384817651.db2.gz HRTTWXBOROPPBP-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1nccs1 ZINC000090451048 384821143 /nfs/dbraw/zinc/82/11/43/384821143.db2.gz WWXOHXLNOQJMBJ-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO CC[NH+](CC)CCNc1nccc(C)c1C#N ZINC000135056085 384823141 /nfs/dbraw/zinc/82/31/41/384823141.db2.gz HBJNPBAPCQDLQV-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1ccnc(OC)n1 ZINC000398182729 384834197 /nfs/dbraw/zinc/83/41/97/384834197.db2.gz ORKBOUJFNSAXMD-NSHDSACASA-N 1 0 235.331 2.320 20 30 BEEDRO Cc1cc(CN(C)CCC#N)ccc1F ZINC000157785954 384797800 /nfs/dbraw/zinc/79/78/00/384797800.db2.gz ZYWLBDMGNSSTOD-UHFFFAOYSA-N 1 0 206.264 2.480 20 30 BEEDRO C=CCNC(=O)C[N@H+](C)CCC1CCCCC1 ZINC000101566034 384798866 /nfs/dbraw/zinc/79/88/66/384798866.db2.gz KOZUEXITXUVWDQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000083640397 384799225 /nfs/dbraw/zinc/79/92/25/384799225.db2.gz QYGFGFGOWKVEEK-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)c1cccc(NC(=[NH2+])NC[C@@H](C)CO)c1 ZINC000104177091 384807808 /nfs/dbraw/zinc/80/78/08/384807808.db2.gz ARVPXBQKDJNPJF-LLVKDONJSA-N 1 0 249.358 2.165 20 30 BEEDRO CCc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000104174151 384807970 /nfs/dbraw/zinc/80/79/70/384807970.db2.gz RQRRIQRRVOFIOW-BXKDBHETSA-N 1 0 217.316 2.384 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCOc1ccccc1C ZINC000104176987 384808508 /nfs/dbraw/zinc/80/85/08/384808508.db2.gz LHFBHQVXXHDFDZ-UHFFFAOYSA-N 1 0 249.358 2.030 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647291064 384837150 /nfs/dbraw/zinc/83/71/50/384837150.db2.gz DCIIAJXZCWUXFT-GHMZBOCLSA-N 1 0 219.332 2.445 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@H](C)c1ccccc1 ZINC000309762201 384814528 /nfs/dbraw/zinc/81/45/28/384814528.db2.gz MVFHVRFCFCEPIW-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)Cc1ccccc1C#N ZINC000186752308 384876976 /nfs/dbraw/zinc/87/69/76/384876976.db2.gz PFRQLHNWKUSVMR-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000309862415 384878693 /nfs/dbraw/zinc/87/86/93/384878693.db2.gz NDMMUBOQIAYIKJ-INIZCTEOSA-N 1 0 237.368 2.480 20 30 BEEDRO N#CCCCC[N@@H+](CCO)Cc1ccccc1 ZINC000049752767 384898995 /nfs/dbraw/zinc/89/89/95/384898995.db2.gz WJBWCQSIQNVKLB-UHFFFAOYSA-N 1 0 232.327 2.175 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCCC1(F)F ZINC000491463591 384930401 /nfs/dbraw/zinc/93/04/01/384930401.db2.gz NULWMMSFDOSDEH-SNVBAGLBSA-N 1 0 201.260 2.377 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000497280452 384936297 /nfs/dbraw/zinc/93/62/97/384936297.db2.gz VWYDYJCVVCLORO-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO Cn1cccc1C[NH2+]CCc1cccc(C#N)c1 ZINC000341486457 384947399 /nfs/dbraw/zinc/94/73/99/384947399.db2.gz NXCYQTGNLFDOQX-UHFFFAOYSA-N 1 0 239.322 2.229 20 30 BEEDRO N#CCCOCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000339226218 384976985 /nfs/dbraw/zinc/97/69/85/384976985.db2.gz BNKJHRUMLCRZKB-WXRRBKDZSA-N 1 0 222.332 2.085 20 30 BEEDRO CCC(O)(CC)C[NH2+]Cc1ccc(C#N)s1 ZINC000135498400 384978592 /nfs/dbraw/zinc/97/85/92/384978592.db2.gz JIKUBENULSZFKD-UHFFFAOYSA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@@H](CC[NH+](C)C)NCc1ccc(C#N)s1 ZINC000135498354 384979649 /nfs/dbraw/zinc/97/96/49/384979649.db2.gz GTTDYUCWZSEGFV-JTQLQIEISA-N 1 0 237.372 2.050 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135498614 384980454 /nfs/dbraw/zinc/98/04/54/384980454.db2.gz WXRZJXAARUOUNX-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO CC(C)(C#N)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000087595607 384981464 /nfs/dbraw/zinc/98/14/64/384981464.db2.gz RJNOSRDGKNMTJR-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(C#N)s1 ZINC000135501471 384988641 /nfs/dbraw/zinc/98/86/41/384988641.db2.gz FDCRPVXGYCCARS-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO C=CCCCC[NH2+][C@@]1(CCOC)CCOC1 ZINC000556226741 384989747 /nfs/dbraw/zinc/98/97/47/384989747.db2.gz PPSJKTBMICVBTM-ZDUSSCGKSA-N 1 0 227.348 2.128 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCOCCC#N)C1 ZINC000312982354 385017086 /nfs/dbraw/zinc/01/70/86/385017086.db2.gz TZEBDJLJHZSMAV-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000340302638 384962870 /nfs/dbraw/zinc/96/28/70/384962870.db2.gz YRPPFCXRCNXQNN-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccccc1OC ZINC000088162774 385049160 /nfs/dbraw/zinc/04/91/60/385049160.db2.gz MOKROLHJNJJJAH-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000130770258 385060436 /nfs/dbraw/zinc/06/04/36/385060436.db2.gz YATVKQZWJYQFBR-UTUOFQBUSA-N 1 0 207.317 2.110 20 30 BEEDRO C[NH+]=C(NCc1ccoc1)NC[C@@H]1CC=CCC1 ZINC000176315177 385061098 /nfs/dbraw/zinc/06/10/98/385061098.db2.gz GSEKCXPJJWMNNL-GFCCVEGCSA-N 1 0 247.342 2.301 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cccc(C)c1O ZINC000165161698 385077309 /nfs/dbraw/zinc/07/73/09/385077309.db2.gz LGWZRPDTZGJDNR-GFCCVEGCSA-N 1 0 218.300 2.483 20 30 BEEDRO CC[C@H]([NH2+]CC#CCOC)[C@H]1CC1(C)C ZINC000642717506 385031202 /nfs/dbraw/zinc/03/12/02/385031202.db2.gz FHCIGMIQNFFULT-NEPJUHHUSA-N 1 0 209.333 2.051 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000135509434 385033740 /nfs/dbraw/zinc/03/37/40/385033740.db2.gz BETUWSOCHDYRDD-MNOVXSKESA-N 1 0 218.300 2.071 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCO2)C1 ZINC000336689900 385112511 /nfs/dbraw/zinc/11/25/11/385112511.db2.gz KFVZDIPHEWHBLH-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(C2CC2)CC1 ZINC000644719321 385138396 /nfs/dbraw/zinc/13/83/96/385138396.db2.gz SMQNHGXVTGPMQM-ZDUSSCGKSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC1(O)CCOCC1 ZINC000449122890 385102653 /nfs/dbraw/zinc/10/26/53/385102653.db2.gz ASBPVYSHJQCGPI-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO CCCCN(C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310037188 385104614 /nfs/dbraw/zinc/10/46/14/385104614.db2.gz UWQITPZNVSCYKK-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](O)C2CCC2)ccc1C#N ZINC000449741087 385107321 /nfs/dbraw/zinc/10/73/21/385107321.db2.gz SLROJIYJVWLTDX-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000309190430 385201641 /nfs/dbraw/zinc/20/16/41/385201641.db2.gz IIIFFWVNABOSIV-BBBLOLIVSA-N 1 0 235.249 2.098 20 30 BEEDRO CC(C)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189574853 385192380 /nfs/dbraw/zinc/19/23/80/385192380.db2.gz VKUWAHLSMYNNSA-UHFFFAOYSA-N 1 0 205.305 2.032 20 30 BEEDRO CC#CCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000246599134 385193955 /nfs/dbraw/zinc/19/39/55/385193955.db2.gz GCZJRWMZCIWKFN-UKRRQHHQSA-N 1 0 229.323 2.472 20 30 BEEDRO Cn1cc(C[NH2+]CCc2ccccc2)cc1C#N ZINC000189575675 385194887 /nfs/dbraw/zinc/19/48/87/385194887.db2.gz CAIKSGJTHRLSBF-UHFFFAOYSA-N 1 0 239.322 2.229 20 30 BEEDRO Cc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000189576514 385197096 /nfs/dbraw/zinc/19/70/96/385197096.db2.gz UOUDOHUBGUTRFI-UHFFFAOYSA-N 1 0 239.322 2.495 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000308832352 385200267 /nfs/dbraw/zinc/20/02/67/385200267.db2.gz USTUYIQMWHWQFC-NEPJUHHUSA-N 1 0 208.349 2.167 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000518787488 385159350 /nfs/dbraw/zinc/15/93/50/385159350.db2.gz GFOVHOPUWWDTKP-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C#N)cn1 ZINC000290763618 385161766 /nfs/dbraw/zinc/16/17/66/385161766.db2.gz UOFSVHIHMYFDHF-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO CSC(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597785 385168728 /nfs/dbraw/zinc/16/87/28/385168728.db2.gz SALFRCCXTMXTGM-UHFFFAOYSA-N 1 0 237.372 2.128 20 30 BEEDRO CC(C)CCOCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189591337 385214168 /nfs/dbraw/zinc/21/41/68/385214168.db2.gz BZRZMCLVSSCXMD-UHFFFAOYSA-N 1 0 249.358 2.049 20 30 BEEDRO C#CC[N@H+](C)CCCNc1ccc(C#N)cc1F ZINC000292870194 533108602 /nfs/dbraw/zinc/10/86/02/533108602.db2.gz SZTWOERNEDSFAQ-UHFFFAOYSA-N 1 0 245.301 2.064 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000343720414 385228306 /nfs/dbraw/zinc/22/83/06/385228306.db2.gz PUSYLUMSRKOHEI-RISCZKNCSA-N 1 0 244.338 2.127 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000449487648 385229127 /nfs/dbraw/zinc/22/91/27/385229127.db2.gz ZUOCNWYMWOKMOX-AAEUAGOBSA-N 1 0 222.376 2.271 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]CCC(=O)Nc1cccnc1 ZINC000564864833 385232531 /nfs/dbraw/zinc/23/25/31/385232531.db2.gz UCBHQVJEVYCQNM-GFCCVEGCSA-N 1 0 247.342 2.355 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1cc(C#N)ccc1OC ZINC000158189791 385250106 /nfs/dbraw/zinc/25/01/06/385250106.db2.gz BHQCCWPKTUROBR-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO CC#CCN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000357595872 385251778 /nfs/dbraw/zinc/25/17/78/385251778.db2.gz NIYYHYUHKVNPMD-KFWWJZLASA-N 1 0 234.387 2.347 20 30 BEEDRO CS[C@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000128148650 385253456 /nfs/dbraw/zinc/25/34/56/385253456.db2.gz SXQSLIRIOCUKHN-SNVBAGLBSA-N 1 0 220.341 2.399 20 30 BEEDRO CS[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000128148426 385254059 /nfs/dbraw/zinc/25/40/59/385254059.db2.gz SXQSLIRIOCUKHN-JTQLQIEISA-N 1 0 220.341 2.399 20 30 BEEDRO COCC1([NH2+][C@H](C)c2ccc(C#N)cc2)CC1 ZINC000540749593 385204719 /nfs/dbraw/zinc/20/47/19/385204719.db2.gz IIIOLSUGHMIVRM-LLVKDONJSA-N 1 0 230.311 2.388 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH+]3CCCC3)C2)C1 ZINC000636100187 385308437 /nfs/dbraw/zinc/30/84/37/385308437.db2.gz CRNBOWIFYMZKGH-BETUJISGSA-N 1 0 248.370 2.086 20 30 BEEDRO C[C@H](CCCO)C[NH2+]Cc1ccc(C#N)s1 ZINC000294853229 385268129 /nfs/dbraw/zinc/26/81/29/385268129.db2.gz SFMFLVLLKDDPTF-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644732058 385270813 /nfs/dbraw/zinc/27/08/13/385270813.db2.gz IBVIDPHLHXMPDR-KBPBESRZSA-N 1 0 222.376 2.369 20 30 BEEDRO C[C@H]([NH2+]CCC1(CO)CC1)c1cccc(C#N)c1 ZINC000395938724 385277251 /nfs/dbraw/zinc/27/72/51/385277251.db2.gz OMKSDCAUDHNGEX-LBPRGKRZSA-N 1 0 244.338 2.371 20 30 BEEDRO CO[C@H](C)C[N@H+](C)CCCC(C)(C)C#N ZINC000308906478 385280704 /nfs/dbraw/zinc/28/07/04/385280704.db2.gz VPAWAYFYIWBCRR-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000308920516 385292448 /nfs/dbraw/zinc/29/24/48/385292448.db2.gz CDOSMUIPLBRDBP-AVGNSLFASA-N 1 0 210.365 2.413 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228088728 385331981 /nfs/dbraw/zinc/33/19/81/385331981.db2.gz TZJGCIAJUAFQBL-CQSZACIVSA-N 1 0 246.354 2.419 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000309002218 385363686 /nfs/dbraw/zinc/36/36/86/385363686.db2.gz OLOMXNHHCMCCCB-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCC12CCOCC2 ZINC000309015406 385370382 /nfs/dbraw/zinc/37/03/82/385370382.db2.gz UGXSKBQGZSWGFX-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000309019691 385372643 /nfs/dbraw/zinc/37/26/43/385372643.db2.gz WHJYNASCIUWWSY-WXHSDQCUSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000309018173 385372922 /nfs/dbraw/zinc/37/29/22/385372922.db2.gz VLPLNECNBRGJTI-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCSCC ZINC000309041148 385377195 /nfs/dbraw/zinc/37/71/95/385377195.db2.gz LJAWZMYCFQGXAB-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)C1CCOCC1 ZINC000179881082 385382611 /nfs/dbraw/zinc/38/26/11/385382611.db2.gz YNOWZPYZKZUWGS-NSHDSACASA-N 1 0 242.388 2.038 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000309077343 385399596 /nfs/dbraw/zinc/39/95/96/385399596.db2.gz LYYINRWCFXXFMF-UTUOFQBUSA-N 1 0 229.389 2.043 20 30 BEEDRO C[C@@]1(CCCO)CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000290411441 385401183 /nfs/dbraw/zinc/40/11/83/385401183.db2.gz KBCFORMWYHVBAW-AWEZNQCLSA-N 1 0 248.326 2.278 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccnc(OC)c1 ZINC000309072235 385404115 /nfs/dbraw/zinc/40/41/15/385404115.db2.gz FLSLXCIWLRHYKI-JTQLQIEISA-N 1 0 206.289 2.317 20 30 BEEDRO N#CCCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181508792 385406083 /nfs/dbraw/zinc/40/60/83/385406083.db2.gz UCBLHDDMAHSNSD-ZDUSSCGKSA-N 1 0 224.348 2.211 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181548464 385410577 /nfs/dbraw/zinc/41/05/77/385410577.db2.gz RFFXJWQNLWIJOO-NSHDSACASA-N 1 0 203.285 2.456 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)c1ccccn1 ZINC000181789208 385415782 /nfs/dbraw/zinc/41/57/82/385415782.db2.gz CKDBCPAEFNUDEY-LLVKDONJSA-N 1 0 235.356 2.379 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@]1(C)CCCO1 ZINC000309117020 385422716 /nfs/dbraw/zinc/42/27/16/385422716.db2.gz LXVPJTPQKFKOPC-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000309161171 385443199 /nfs/dbraw/zinc/44/31/99/385443199.db2.gz ZBFQCKSXYFCRDN-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911131 385454969 /nfs/dbraw/zinc/45/49/69/385454969.db2.gz IBIYPVPQZWSYOH-CHWSQXEVSA-N 1 0 249.333 2.242 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911156 385455018 /nfs/dbraw/zinc/45/50/18/385455018.db2.gz MJPXMRCAPOKHFF-OLZOCXBDSA-N 1 0 249.333 2.338 20 30 BEEDRO C[C@H](OCCCNC(=[NH2+])N(C)C)c1ccccc1 ZINC000170908748 385455265 /nfs/dbraw/zinc/45/52/65/385455265.db2.gz VFUWTCUIRUSZJR-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)[C@H]1CCCO1 ZINC000182293047 385432394 /nfs/dbraw/zinc/43/23/94/385432394.db2.gz VBLOGJSGQRMWCB-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000309222569 385487980 /nfs/dbraw/zinc/48/79/80/385487980.db2.gz VMEKTMWAZAJNCW-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000365892858 134450492 /nfs/dbraw/zinc/45/04/92/134450492.db2.gz HDSYUAMKHQFTOA-GFCCVEGCSA-N 1 0 203.285 2.156 20 30 BEEDRO C=CCCCON=C(N)c1ccc(OC)cc1 ZINC000156945449 385476026 /nfs/dbraw/zinc/47/60/26/385476026.db2.gz ZMHIPTPKSQXMJT-UHFFFAOYSA-N 1 0 234.299 2.298 20 30 BEEDRO C#CC[N@@H+](CCC[C@H](C)O)C1CCCC1 ZINC000491693952 385511015 /nfs/dbraw/zinc/51/10/15/385511015.db2.gz KDBUFGJSKOCNBE-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CO)CCC1 ZINC000183231714 385513233 /nfs/dbraw/zinc/51/32/33/385513233.db2.gz LRDBICOKAAEYQW-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000183231746 385514582 /nfs/dbraw/zinc/51/45/82/385514582.db2.gz LRDBICOKAAEYQW-NEPJUHHUSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc(C#N)c1 ZINC000181580469 385515842 /nfs/dbraw/zinc/51/58/42/385515842.db2.gz HEYPRRKOYKHQQQ-DOMZBBRYSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC2(CCOC2)CC1 ZINC000591022138 385551992 /nfs/dbraw/zinc/55/19/92/385551992.db2.gz WWEPWJCZKAYUJD-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC1(C[NH2+]C[C@@H](O)CSC)CCCC1 ZINC000591769816 385562792 /nfs/dbraw/zinc/56/27/92/385562792.db2.gz JITWSGQNDAIZNP-GFCCVEGCSA-N 1 0 243.416 2.436 20 30 BEEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000264446796 385563635 /nfs/dbraw/zinc/56/36/35/385563635.db2.gz RJIUVQVWFFHKKK-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152635 385567411 /nfs/dbraw/zinc/56/74/11/385567411.db2.gz ZGIUDWYJUKRYST-CABCVRRESA-N 1 0 244.338 2.488 20 30 BEEDRO C=CCC[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000309464496 385593834 /nfs/dbraw/zinc/59/38/34/385593834.db2.gz OYEFTEXYVWTINT-AAEUAGOBSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000309477842 385606347 /nfs/dbraw/zinc/60/63/47/385606347.db2.gz CMFZMYSRHMCIRT-HWOCKDDLSA-N 1 0 237.265 2.244 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309471960 385601388 /nfs/dbraw/zinc/60/13/88/385601388.db2.gz QVZXAFFQJJXIQL-SRVKXCTJSA-N 1 0 224.348 2.472 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000595055918 385619120 /nfs/dbraw/zinc/61/91/20/385619120.db2.gz MQLIMVGYYKVMEZ-LSDHHAIUSA-N 1 0 239.322 2.383 20 30 BEEDRO CC[C@@H](C)N(CC)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000595250460 385622522 /nfs/dbraw/zinc/62/25/22/385622522.db2.gz NMHXFJVFSFKIOQ-NEPJUHHUSA-N 1 0 239.363 2.045 20 30 BEEDRO CC[C@H](C)N(CC)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000595250475 385622613 /nfs/dbraw/zinc/62/26/13/385622613.db2.gz NMHXFJVFSFKIOQ-RYUDHWBXSA-N 1 0 239.363 2.045 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(CC)nc1)C1CCCC1 ZINC000491710360 385622700 /nfs/dbraw/zinc/62/27/00/385622700.db2.gz RLXCXXXTFMTGDD-UHFFFAOYSA-N 1 0 243.354 2.417 20 30 BEEDRO CC[C@@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598596432 385622910 /nfs/dbraw/zinc/62/29/10/385622910.db2.gz QHLOKWSFIMRZGE-MNOVXSKESA-N 1 0 212.337 2.017 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC000309499871 385626376 /nfs/dbraw/zinc/62/63/76/385626376.db2.gz ZJHREPYYLIDTLY-OLZOCXBDSA-N 1 0 223.291 2.413 20 30 BEEDRO CCCn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC000597175058 385665846 /nfs/dbraw/zinc/66/58/46/385665846.db2.gz VEDLEVPEMMAEJI-ZDUSSCGKSA-N 1 0 246.358 2.419 20 30 BEEDRO C=CCCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000309536377 385675655 /nfs/dbraw/zinc/67/56/55/385675655.db2.gz XBWIAIBDTNPHFC-LBPRGKRZSA-N 1 0 217.312 2.415 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CCCC#N)C12CCC2 ZINC000451827271 385681001 /nfs/dbraw/zinc/68/10/01/385681001.db2.gz GPFCXRIZDWKMSC-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000309554174 385686795 /nfs/dbraw/zinc/68/67/95/385686795.db2.gz GYYNEKKPDJGUNH-YPMHNXCESA-N 1 0 237.730 2.464 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000309555669 385693284 /nfs/dbraw/zinc/69/32/84/385693284.db2.gz HOCJMKSFSKCOBD-VHSXEESVSA-N 1 0 231.324 2.402 20 30 BEEDRO CC[NH+](CC)Cc1ccc(C#N)cc1OC ZINC000120549072 385693599 /nfs/dbraw/zinc/69/35/99/385693599.db2.gz DQJGSPFDPQGOHK-UHFFFAOYSA-N 1 0 218.300 2.409 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309680605 385786393 /nfs/dbraw/zinc/78/63/93/385786393.db2.gz NBSREHHCNIHJMJ-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1ccnn1C ZINC000282369808 385755902 /nfs/dbraw/zinc/75/59/02/385755902.db2.gz QGMMCNYYNCJUGV-PNESKVBLSA-N 1 0 246.358 2.401 20 30 BEEDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCCC#N ZINC000186381865 385757231 /nfs/dbraw/zinc/75/72/31/385757231.db2.gz GPDAYCQYXJHNQM-STQMWFEESA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1COC(=O)NC ZINC000495835277 385766457 /nfs/dbraw/zinc/76/64/57/385766457.db2.gz FMNNKYLUGNDWEF-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO COCC#CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000645250243 385777183 /nfs/dbraw/zinc/77/71/83/385777183.db2.gz JMOMEYBNTOEIEB-OLZOCXBDSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[NH2+][C@@](C)(CC(=O)OCC)C(C)C ZINC000186692118 385780018 /nfs/dbraw/zinc/78/00/18/385780018.db2.gz IJUNHRBRLQSDGV-LBPRGKRZSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccs1 ZINC000186704051 385780348 /nfs/dbraw/zinc/78/03/48/385780348.db2.gz MZPLDNAMAZEOIP-VHSXEESVSA-N 1 0 211.330 2.336 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000186714173 385783523 /nfs/dbraw/zinc/78/35/23/385783523.db2.gz FHYOOWWXFYOZOI-WDEREUQCSA-N 1 0 223.316 2.430 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccccc1 ZINC000186710208 385784752 /nfs/dbraw/zinc/78/47/52/385784752.db2.gz DRJXRVMSFOMHGR-DGCLKSJQSA-N 1 0 205.301 2.274 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)C1CCOCC1 ZINC000309589568 385721066 /nfs/dbraw/zinc/72/10/66/385721066.db2.gz UIYFRCIRJBKYKM-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC2([NH+](C)C)CC2)n1 ZINC000397866631 385722363 /nfs/dbraw/zinc/72/23/63/385722363.db2.gz QUTCMJMALPXVQD-UHFFFAOYSA-N 1 0 244.342 2.076 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1 ZINC000186710192 385785325 /nfs/dbraw/zinc/78/53/25/385785325.db2.gz DRJXRVMSFOMHGR-WCQYABFASA-N 1 0 205.301 2.274 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1CCN(C2CC2)CC1 ZINC000602508527 385801261 /nfs/dbraw/zinc/80/12/61/385801261.db2.gz UMXYDNAUOPNGOA-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[N@H+](CCCC#N)Cc1ccccn1 ZINC000094915673 385810146 /nfs/dbraw/zinc/81/01/46/385810146.db2.gz GXNJJSGKZYNDNR-UHFFFAOYSA-N 1 0 203.289 2.207 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CO1 ZINC000572363274 385813971 /nfs/dbraw/zinc/81/39/71/385813971.db2.gz RUIGTKASTMAPKG-DGFSRKRXSA-N 1 0 242.322 2.313 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000521428398 385817946 /nfs/dbraw/zinc/81/79/46/385817946.db2.gz QGXYSEDAZBRDHT-ZFWWWQNUSA-N 1 0 231.339 2.154 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000602453831 385793538 /nfs/dbraw/zinc/79/35/38/385793538.db2.gz PMRICQUJWKZNMR-LLVKDONJSA-N 1 0 240.347 2.200 20 30 BEEDRO C#CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000303992151 533151265 /nfs/dbraw/zinc/15/12/65/533151265.db2.gz MMDBRTSPYOUNHD-OAHLLOKOSA-N 1 0 247.313 2.204 20 30 BEEDRO CO[C@H]1CC[N@H+](CC#Cc2ccccc2)C[C@@H]1C ZINC000451563109 385902549 /nfs/dbraw/zinc/90/25/49/385902549.db2.gz JPRMXQKNIUGNAY-HOCLYGCPSA-N 1 0 243.350 2.395 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271928303 385860893 /nfs/dbraw/zinc/86/08/93/385860893.db2.gz JWLGEGFTSUYETG-CABZTGNLSA-N 1 0 236.290 2.119 20 30 BEEDRO C#CC[NH+]1CCC(OCC2CCCC2)CC1 ZINC000177497085 533149786 /nfs/dbraw/zinc/14/97/86/533149786.db2.gz CDQGXSWOTZXMCA-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[C@@H]1CCSC1)C1CC1 ZINC000494945631 533149821 /nfs/dbraw/zinc/14/98/21/533149821.db2.gz GPTHUMYGQNHUDE-QWRGUYRKSA-N 1 0 224.373 2.364 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414134533 385982118 /nfs/dbraw/zinc/98/21/18/385982118.db2.gz GUAYAHDTWRVOOE-DYEKYZERSA-N 1 0 249.358 2.052 20 30 BEEDRO C#CC[N@H+]1CCCC[C@H]1[C@@H](O)c1ccccc1 ZINC000368909460 533153428 /nfs/dbraw/zinc/15/34/28/533153428.db2.gz IPPDNZPBVGEMDR-GJZGRUSLSA-N 1 0 229.323 2.208 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000175844749 533154586 /nfs/dbraw/zinc/15/45/86/533154586.db2.gz VGOLDMMNNXXQPU-NEPJUHHUSA-N 1 0 235.352 2.269 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc(C#N)c1 ZINC000181981761 385959744 /nfs/dbraw/zinc/95/97/44/385959744.db2.gz AFDQOPJQKBEQCC-BPNCWPANSA-N 1 0 230.311 2.122 20 30 BEEDRO Cc1ccc(NCC[NH+]2CCCCC2)nc1C#N ZINC000302669757 385998685 /nfs/dbraw/zinc/99/86/85/385998685.db2.gz RDPBHJIJMAWHHZ-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C=C[C@](C)(CC)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414646660 386055934 /nfs/dbraw/zinc/05/59/34/386055934.db2.gz PTQBMOQBQJCEHI-JOYOIKCWSA-N 1 0 223.320 2.074 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414117219 386011559 /nfs/dbraw/zinc/01/15/59/386011559.db2.gz RUXIQIXGFGJKOI-GHMZBOCLSA-N 1 0 220.316 2.185 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)c2nccn21 ZINC000414168699 386016282 /nfs/dbraw/zinc/01/62/82/386016282.db2.gz QXUVTICWHMIQKJ-WDEREUQCSA-N 1 0 232.331 2.418 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C(F)(F)F ZINC000336752803 386018430 /nfs/dbraw/zinc/01/84/30/386018430.db2.gz HEBJAJCWNUUTHG-HRDYMLBCSA-N 1 0 220.238 2.467 20 30 BEEDRO C=CCOc1ccc(CNC[C@H]([NH3+])CC)cc1 ZINC000414975839 386019400 /nfs/dbraw/zinc/01/94/00/386019400.db2.gz HFMOKSLUYVQOII-CYBMUJFWSA-N 1 0 234.343 2.078 20 30 BEEDRO C=CCCOCC[NH2+]C1CC(OC(C)C)C1 ZINC000189554588 386024234 /nfs/dbraw/zinc/02/42/34/386024234.db2.gz LVAIAWDLXRTULA-UHFFFAOYSA-N 1 0 227.348 2.125 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CCCC[C@H]1O ZINC000267107240 386026635 /nfs/dbraw/zinc/02/66/35/386026635.db2.gz QJDAJNGWOJJICU-ZIAGYGMSSA-N 1 0 248.326 2.182 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000453015020 386027141 /nfs/dbraw/zinc/02/71/41/386027141.db2.gz MDYFLFCHKBWLAB-XQQFMLRXSA-N 1 0 238.375 2.330 20 30 BEEDRO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000414202547 386039700 /nfs/dbraw/zinc/03/97/00/386039700.db2.gz MZIIENPJYRYQTC-RWMBFGLXSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C[C@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414642090 386041039 /nfs/dbraw/zinc/04/10/39/386041039.db2.gz JFLOVVQSNLCSAX-VHSXEESVSA-N 1 0 223.320 2.290 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160682 386045456 /nfs/dbraw/zinc/04/54/56/386045456.db2.gz DIFPVENCDMHBCR-NSHDSACASA-N 1 0 234.347 2.493 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000335077308 386046867 /nfs/dbraw/zinc/04/68/67/386046867.db2.gz MQSIHQPQBJYUKT-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)cc1C ZINC000414165547 386047585 /nfs/dbraw/zinc/04/75/85/386047585.db2.gz PUCIGULSEBRQCE-NWDGAFQWSA-N 1 0 235.327 2.201 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CCC)C(C)(C)C ZINC000414163536 386048877 /nfs/dbraw/zinc/04/88/77/386048877.db2.gz GFTUFJDTOFUCSA-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO CO[C@@H](C)CN1CCCC(C)(C)[C@H]1C#N ZINC000334454114 386102139 /nfs/dbraw/zinc/10/21/39/386102139.db2.gz UYFHXMJIFPPJLS-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@H](C)CN1CCCC(C)(C)[C@H]1C#N ZINC000334454110 386102166 /nfs/dbraw/zinc/10/21/66/386102166.db2.gz UYFHXMJIFPPJLS-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000334461333 386116646 /nfs/dbraw/zinc/11/66/46/386116646.db2.gz VXCZVOGHUYUTSU-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000334436176 386060918 /nfs/dbraw/zinc/06/09/18/386060918.db2.gz ZVXQLCQEJCQZBG-DZGCQCFKSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1CC(O)C1 ZINC000336772885 386087718 /nfs/dbraw/zinc/08/77/18/386087718.db2.gz YLJGGINIHNVJNG-ZSVAQUKISA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)OCC1CC1 ZINC000414279022 386091407 /nfs/dbraw/zinc/09/14/07/386091407.db2.gz ZKIGAHVICHUEEL-STQMWFEESA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)OCC1CC1 ZINC000414279017 386092151 /nfs/dbraw/zinc/09/21/51/386092151.db2.gz ZKIGAHVICHUEEL-CHWSQXEVSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1occc1C ZINC000320282625 386097331 /nfs/dbraw/zinc/09/73/31/386097331.db2.gz OGMHEVOWTWYONX-LLVKDONJSA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1csc(C)n1 ZINC000320300704 386189787 /nfs/dbraw/zinc/18/97/87/386189787.db2.gz BKQWHIOVCAXXOA-MWLCHTKSSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000320292361 386147885 /nfs/dbraw/zinc/14/78/85/386147885.db2.gz QJAKZDKYTUNUPG-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO CN1CC[C@@H]2C[N@H+](CCCCC(C)(C)C#N)C[C@@H]21 ZINC000451624522 386151129 /nfs/dbraw/zinc/15/11/29/386151129.db2.gz NNQPWWISDLDJKU-KGLIPLIRSA-N 1 0 249.402 2.342 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500258 386158990 /nfs/dbraw/zinc/15/89/90/386158990.db2.gz YXNDKNMNOGICEU-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415923287 386163210 /nfs/dbraw/zinc/16/32/10/386163210.db2.gz VWLKTQBWMORAEY-LLVKDONJSA-N 1 0 247.342 2.492 20 30 BEEDRO C=C(C)CN(C)C(=O)Nc1ccccc1C[NH2+]C ZINC000415918768 386164460 /nfs/dbraw/zinc/16/44/60/386164460.db2.gz GGLROFSLWJQKMP-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=CCCN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415961945 386169382 /nfs/dbraw/zinc/16/93/82/386169382.db2.gz SBDCEFHIPCCIMZ-UHFFFAOYSA-N 1 0 233.315 2.185 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000188076773 386170629 /nfs/dbraw/zinc/17/06/29/386170629.db2.gz OUIBHVWZRPNERJ-RYUDHWBXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415969082 386171648 /nfs/dbraw/zinc/17/16/48/386171648.db2.gz DBWBMYMUBLKKIY-SNVBAGLBSA-N 1 0 233.315 2.231 20 30 BEEDRO C=C(C)CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415979573 386173993 /nfs/dbraw/zinc/17/39/93/386173993.db2.gz DMEHZIPIDWLXRS-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=C(C)CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415985070 386174614 /nfs/dbraw/zinc/17/46/14/386174614.db2.gz AMEKJOOPZWWYAC-UHFFFAOYSA-N 1 0 245.326 2.378 20 30 BEEDRO C=CCCN(C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416014838 386186615 /nfs/dbraw/zinc/18/66/15/386186615.db2.gz STHGSKYZCKKZOI-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)NC(C)C ZINC000414343236 386133742 /nfs/dbraw/zinc/13/37/42/386133742.db2.gz NCPPXJXQZAZFFV-SDDRHHMPSA-N 1 0 226.364 2.090 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccnc1 ZINC000320287725 386133848 /nfs/dbraw/zinc/13/38/48/386133848.db2.gz PGCXHVTVGPKMPI-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C[C@H](CO)[N@H+](CCC(C)(C)C#N)CC1CCC1 ZINC000347067864 386212336 /nfs/dbraw/zinc/21/23/36/386212336.db2.gz BLTNPIZLMRDHFH-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](C2CC2)O1 ZINC000347082845 386242075 /nfs/dbraw/zinc/24/20/75/386242075.db2.gz KPHBEVAHBDNVGG-AAEUAGOBSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000347082846 386242498 /nfs/dbraw/zinc/24/24/98/386242498.db2.gz KPHBEVAHBDNVGG-DGCLKSJQSA-N 1 0 236.359 2.426 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ncccc2C#N)C1 ZINC000267210408 386196916 /nfs/dbraw/zinc/19/69/16/386196916.db2.gz BMNFILXCQWFJFU-QWHCGFSZSA-N 1 0 244.342 2.238 20 30 BEEDRO CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000034674476 386287827 /nfs/dbraw/zinc/28/78/27/386287827.db2.gz LQBQIOXTLHEDKW-AWEZNQCLSA-N 1 0 232.327 2.322 20 30 BEEDRO C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CCCC1 ZINC000034674512 386290495 /nfs/dbraw/zinc/29/04/95/386290495.db2.gz IEDUKZDPXWTWTB-OAHLLOKOSA-N 1 0 244.338 2.466 20 30 BEEDRO CC[N@@H+](CCC#N)CCCc1ccncc1 ZINC000347304754 386303448 /nfs/dbraw/zinc/30/34/48/386303448.db2.gz ZHTYODHEMWMOQB-UHFFFAOYSA-N 1 0 217.316 2.250 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1nccs1 ZINC000320315296 386306654 /nfs/dbraw/zinc/30/66/54/386306654.db2.gz VKXJGDLIXLYURE-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C[N@H+](CC[C@H]1CCCO1)CCC(C)(C)C#N ZINC000347259272 386308100 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/nfs/dbraw/zinc/35/86/96/386358696.db2.gz DBJQSLWICZWZIE-OCCSQVGLSA-N 1 0 244.338 2.124 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccsc1 ZINC000320338707 386359477 /nfs/dbraw/zinc/35/94/77/386359477.db2.gz AORQDBCRMZUGDX-LLVKDONJSA-N 1 0 211.330 2.165 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181556283 386360144 /nfs/dbraw/zinc/36/01/44/386360144.db2.gz XJHBXSZSYUZRGH-FZMZJTMJSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cccnc1 ZINC000280576612 386364517 /nfs/dbraw/zinc/36/45/17/386364517.db2.gz HDIOLMWUIPHFQV-UONOGXRCSA-N 1 0 232.327 2.152 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000280632683 386367328 /nfs/dbraw/zinc/36/73/28/386367328.db2.gz MIJXOUIDKIHQGV-BXUZGUMPSA-N 1 0 246.310 2.222 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cnccn1 ZINC000280722792 386369632 /nfs/dbraw/zinc/36/96/32/386369632.db2.gz VBCPBCIOFIQPML-SCRDCRAPSA-N 1 0 247.342 2.108 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cnccn1 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C=C(C)C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000336759480 386665321 /nfs/dbraw/zinc/66/53/21/386665321.db2.gz JBRAKIWFZDREBC-QJPTWQEYSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cncn1CC ZINC000393801574 259692046 /nfs/dbraw/zinc/69/20/46/259692046.db2.gz SQDHDYXEUOAIGX-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000526941270 386699811 /nfs/dbraw/zinc/69/98/11/386699811.db2.gz WUKTUSAUHGHEOL-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000520575175 386701081 /nfs/dbraw/zinc/70/10/81/386701081.db2.gz DKRPLOWVVNVXTC-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063751236 386702927 /nfs/dbraw/zinc/70/29/27/386702927.db2.gz CHZSQBBZLAYZHX-UHFFFAOYSA-N 1 0 212.296 2.402 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000520604146 386703469 /nfs/dbraw/zinc/70/34/69/386703469.db2.gz MOJIOQUTVBTYAE-GFCCVEGCSA-N 1 0 219.332 2.176 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000520604147 386704830 /nfs/dbraw/zinc/70/48/30/386704830.db2.gz MOJIOQUTVBTYAE-LBPRGKRZSA-N 1 0 219.332 2.176 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295943360 386705270 /nfs/dbraw/zinc/70/52/70/386705270.db2.gz LFGQMLZNXNQNOA-OAHLLOKOSA-N 1 0 246.354 2.464 20 30 BEEDRO CSC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192881656 386734419 /nfs/dbraw/zinc/73/44/19/386734419.db2.gz ZPMIZMUCVMLQCK-DCAQKATOSA-N 1 0 212.362 2.410 20 30 BEEDRO COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCCC#N ZINC000330489342 386735500 /nfs/dbraw/zinc/73/55/00/386735500.db2.gz KGSCKXAIKFPBSR-WCQYABFASA-N 1 0 238.331 2.002 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000645087928 386712600 /nfs/dbraw/zinc/71/26/00/386712600.db2.gz MTQUKUKTDPPKHL-LBPRGKRZSA-N 1 0 221.300 2.272 20 30 BEEDRO N#CCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000330462623 386723126 /nfs/dbraw/zinc/72/31/26/386723126.db2.gz SUGYZAILXCGEOV-JTQLQIEISA-N 1 0 209.293 2.070 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000192891771 386759332 /nfs/dbraw/zinc/75/93/32/386759332.db2.gz WLWKYJPJGAOKLY-IGQOVBAYSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336665327 386769113 /nfs/dbraw/zinc/76/91/13/386769113.db2.gz LNGLXDUFKYTFIG-SRVKXCTJSA-N 1 0 224.348 2.065 20 30 BEEDRO C[N@H+](CC1CC(O)C1)CC(C)(C)CCC#N ZINC000191168233 386770854 /nfs/dbraw/zinc/77/08/54/386770854.db2.gz JZUCZCVKJQKMLK-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334773409 386824861 /nfs/dbraw/zinc/82/48/61/386824861.db2.gz SKNRRIACCLENSI-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000330645391 386810993 /nfs/dbraw/zinc/81/09/93/386810993.db2.gz FCYGUZSAIVWETA-YPMHNXCESA-N 1 0 233.315 2.116 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1ccnc(C#N)c1 ZINC000218091550 386811768 /nfs/dbraw/zinc/81/17/68/386811768.db2.gz BFAGQZJGTRTSPM-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000280666627 386835364 /nfs/dbraw/zinc/83/53/64/386835364.db2.gz XYSNFKOTRLFSCL-WDEREUQCSA-N 1 0 237.734 2.120 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000349532743 386854024 /nfs/dbraw/zinc/85/40/24/386854024.db2.gz DCTPWUXLERFWIY-GFCCVEGCSA-N 1 0 237.347 2.054 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@]1(C)CCOC1 ZINC001172490779 974837765 /nfs/dbraw/zinc/83/77/65/974837765.db2.gz AEDIUHJEYSMGCZ-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162096 386872070 /nfs/dbraw/zinc/87/20/70/386872070.db2.gz UHRLCBQNLXNLHC-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C#C)cc1 ZINC000290527357 533201896 /nfs/dbraw/zinc/20/18/96/533201896.db2.gz XXLPKHKSAROVNS-UHFFFAOYSA-N 1 0 229.348 2.124 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(C)nn2)CC1 ZINC000334868751 386928826 /nfs/dbraw/zinc/92/88/26/386928826.db2.gz UKYZURNPTQUSDR-UHFFFAOYSA-N 1 0 217.316 2.183 20 30 BEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC1(C#N)CCC1 ZINC000334823457 386954623 /nfs/dbraw/zinc/95/46/23/386954623.db2.gz FCSSPKNMZRNGBB-UONOGXRCSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000161726375 386967375 /nfs/dbraw/zinc/96/73/75/386967375.db2.gz ATHNNJNDMFCVBS-WCQYABFASA-N 1 0 244.342 2.062 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1nc(C#N)cs1 ZINC000395188762 386971587 /nfs/dbraw/zinc/97/15/87/386971587.db2.gz ZZXHSDNXIBVVJY-UHFFFAOYSA-N 1 0 221.329 2.317 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000514581126 386993998 /nfs/dbraw/zinc/99/39/98/386993998.db2.gz USBKWHHUGHXJHF-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000334928942 387004018 /nfs/dbraw/zinc/00/40/18/387004018.db2.gz KKIIOVZFRKKSFB-VXGBXAGGSA-N 1 0 217.316 2.352 20 30 BEEDRO CCCC[N@H+](C)CCNc1cc(C#N)ccn1 ZINC000342131209 387031812 /nfs/dbraw/zinc/03/18/12/387031812.db2.gz NMPXTAIRTKQFAW-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C[C@H]([N@H+](C)Cc1ccc(CC#N)cc1)C(C)(C)O ZINC000398996263 387037406 /nfs/dbraw/zinc/03/74/06/387037406.db2.gz POBPNJDYDCNKIQ-LBPRGKRZSA-N 1 0 246.354 2.344 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000050373718 387044654 /nfs/dbraw/zinc/04/46/54/387044654.db2.gz PKDXJWBFFQXHHS-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000192641502 387045586 /nfs/dbraw/zinc/04/55/86/387045586.db2.gz XTPBNZLZJJJKMY-UONOGXRCSA-N 1 0 235.375 2.144 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](C)O[C@]2(CCCOC2)C1 ZINC000334941961 387018091 /nfs/dbraw/zinc/01/80/91/387018091.db2.gz RWLPBRTUOVXUSG-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000334941962 387019042 /nfs/dbraw/zinc/01/90/42/387019042.db2.gz RWLPBRTUOVXUSG-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000228486620 387088919 /nfs/dbraw/zinc/08/89/19/387088919.db2.gz AADAFCHAVBOPFL-MJBXVCDLSA-N 1 0 236.359 2.306 20 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C=CCOc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000418105936 387136801 /nfs/dbraw/zinc/13/68/01/387136801.db2.gz BTCUVYHNXLGQIX-OTVXOJSOSA-N 1 0 247.338 2.254 20 30 BEEDRO COC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000193274588 387204618 /nfs/dbraw/zinc/20/46/18/387204618.db2.gz YQFIWDJYHYCCHA-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H](CC#N)NCCC[NH+]1CCCCC1 ZINC000571940810 387207559 /nfs/dbraw/zinc/20/75/59/387207559.db2.gz SEMVFCKVZVYYFI-ZDUSSCGKSA-N 1 0 223.364 2.144 20 30 BEEDRO C=CCC[C@H](N[C@@H](C)C[NH3+])c1ccco1 ZINC000423360490 387213485 /nfs/dbraw/zinc/21/34/85/387213485.db2.gz FPYUEGDDCTYRAN-QWRGUYRKSA-N 1 0 208.305 2.224 20 30 BEEDRO C[C@H](NCCC#N)[C@@H](c1ccccc1)[NH+](C)C ZINC000571993340 387217693 /nfs/dbraw/zinc/21/76/93/387217693.db2.gz HAHFKWLLMNGFIC-JSGCOSHPSA-N 1 0 231.343 2.181 20 30 BEEDRO C[C@@H](O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000230072229 387232296 /nfs/dbraw/zinc/23/22/96/387232296.db2.gz HHPVFEWPFAARRQ-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000424652536 387234483 /nfs/dbraw/zinc/23/44/83/387234483.db2.gz QSVGUWFLMWLHTF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1nn(C)cc1C[NH2+]CC(C)(C)CCC#N ZINC000229702411 387195394 /nfs/dbraw/zinc/19/53/94/387195394.db2.gz LPQUDXFKEBYQSA-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)C1CCOCC1 ZINC000459730411 387276300 /nfs/dbraw/zinc/27/63/00/387276300.db2.gz MAPFFDIXBQZVNV-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000188549018 134527233 /nfs/dbraw/zinc/52/72/33/134527233.db2.gz CFAIWOIIRFDTOA-YPMHNXCESA-N 1 0 209.333 2.452 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCO[C@H]1CCCCO1 ZINC000572253765 387287814 /nfs/dbraw/zinc/28/78/14/387287814.db2.gz AORBOTTXDSLXNW-OLZOCXBDSA-N 1 0 240.347 2.202 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000572276015 387297323 /nfs/dbraw/zinc/29/73/23/387297323.db2.gz QFVAGSMNBDLMOR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000514840128 387301906 /nfs/dbraw/zinc/30/19/06/387301906.db2.gz NAJDYVIVHWNTCO-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000230222188 387305486 /nfs/dbraw/zinc/30/54/86/387305486.db2.gz UVINDIITPGNWOH-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)C1CCOCC1 ZINC000515337239 387365773 /nfs/dbraw/zinc/36/57/73/387365773.db2.gz NJPOQSLKLSXRAX-MCIONIFRSA-N 1 0 239.359 2.125 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000515005161 387322216 /nfs/dbraw/zinc/32/22/16/387322216.db2.gz GDWWUFYUVMGRMW-XQQFMLRXSA-N 1 0 219.332 2.454 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CN)C2CCCC2)C1 ZINC000423503977 387343836 /nfs/dbraw/zinc/34/38/36/387343836.db2.gz NGFJVHHNRQIVRN-MRVWCRGKSA-N 1 0 235.375 2.176 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000192707951 387352191 /nfs/dbraw/zinc/35/21/91/387352191.db2.gz FQKLDDFCXGTGOB-NXEZZACHSA-N 1 0 221.329 2.315 20 30 BEEDRO C=C(C)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000336528807 387352351 /nfs/dbraw/zinc/35/23/51/387352351.db2.gz VKZZSVPWEKVBND-ZDUSSCGKSA-N 1 0 209.333 2.311 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000192707971 387352754 /nfs/dbraw/zinc/35/27/54/387352754.db2.gz FQKLDDFCXGTGOB-ZJUUUORDSA-N 1 0 221.329 2.315 20 30 BEEDRO C=CCCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000336528576 387353727 /nfs/dbraw/zinc/35/37/27/387353727.db2.gz WJBXPQFJUDZVMW-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000270008669 387427084 /nfs/dbraw/zinc/42/70/84/387427084.db2.gz XOIKDIGCKNKPAP-MRXNPFEDSA-N 1 0 243.350 2.283 20 30 BEEDRO C=CCN(CC[NH+](CC)CC)CC(C)C ZINC000084113490 387435811 /nfs/dbraw/zinc/43/58/11/387435811.db2.gz UEPQTWJMKPWAHJ-UHFFFAOYSA-N 1 0 212.381 2.472 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272800290 387450982 /nfs/dbraw/zinc/45/09/82/387450982.db2.gz UTPGRJWBXNBECB-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC(=O)NC[C@@H]([NH3+])c1ccccc1CC ZINC000423938779 387455320 /nfs/dbraw/zinc/45/53/20/387455320.db2.gz KAMXQPHFBYZKKF-CQSZACIVSA-N 1 0 246.354 2.331 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1C ZINC000273404290 387457508 /nfs/dbraw/zinc/45/75/08/387457508.db2.gz GXVKTUSYNUYVAV-UHFFFAOYSA-N 1 0 232.283 2.358 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCNC1CC1 ZINC000643506324 387457660 /nfs/dbraw/zinc/45/76/60/387457660.db2.gz RZTFEVBNAJHAML-GFCCVEGCSA-N 1 0 210.365 2.463 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)Nc1ccc(F)cc1 ZINC000263685444 387386138 /nfs/dbraw/zinc/38/61/38/387386138.db2.gz NNRAYMTVNGCJMD-UHFFFAOYSA-N 1 0 248.301 2.109 20 30 BEEDRO C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191377511 387386977 /nfs/dbraw/zinc/38/69/77/387386977.db2.gz ISAHJASRPOOUCC-MNOVXSKESA-N 1 0 249.383 2.223 20 30 BEEDRO C#CC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000264167735 387389262 /nfs/dbraw/zinc/38/92/62/387389262.db2.gz HCXFQFCQKYPURE-GFCCVEGCSA-N 1 0 203.260 2.248 20 30 BEEDRO C=C1CC[NH+](CCc2ccccn2)CC1 ZINC000264453930 387391257 /nfs/dbraw/zinc/39/12/57/387391257.db2.gz ISGGOIKHGDFBLP-UHFFFAOYSA-N 1 0 202.301 2.276 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](CO)CC1 ZINC001172492158 974839112 /nfs/dbraw/zinc/83/91/12/974839112.db2.gz JBFJSSUXORLMCJ-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO COC[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000269602958 387419757 /nfs/dbraw/zinc/41/97/57/387419757.db2.gz NFPVPACZARVVTH-AWEZNQCLSA-N 1 0 247.313 2.146 20 30 BEEDRO CC[C@H]1CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000292418559 387494149 /nfs/dbraw/zinc/49/41/49/387494149.db2.gz MOJHHLIWAQYNFE-UONOGXRCSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)[C@H]1C ZINC000293039001 387508241 /nfs/dbraw/zinc/50/82/41/387508241.db2.gz QNCPWCRMIBXBIW-NEPJUHHUSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccccc1)c1cnn(C)c1 ZINC000276959300 387528848 /nfs/dbraw/zinc/52/88/48/387528848.db2.gz LVQVNMKXWLTHBF-ZDUSSCGKSA-N 1 0 239.322 2.122 20 30 BEEDRO CC[C@@H](C[NH+]1CCC(C)(C#N)CC1)OC ZINC000396998323 387530747 /nfs/dbraw/zinc/53/07/47/387530747.db2.gz AGSNWOGQRDGSNN-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CCc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424074728 387478782 /nfs/dbraw/zinc/47/87/82/387478782.db2.gz HTLFRJMKOTUDRH-CYBMUJFWSA-N 1 0 245.326 2.209 20 30 BEEDRO Cc1ccc(F)c(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424077310 387481314 /nfs/dbraw/zinc/48/13/14/387481314.db2.gz NRQOOHHCMOWLFX-NSHDSACASA-N 1 0 249.289 2.094 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000274799377 387490501 /nfs/dbraw/zinc/49/05/01/387490501.db2.gz QLXNJHYLQDJAQN-GFCCVEGCSA-N 1 0 234.347 2.259 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCC[C@H]1O ZINC000270220041 387589520 /nfs/dbraw/zinc/58/95/20/387589520.db2.gz YZVLNFAABWWRRS-HUUCEWRRSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430276145 387604587 /nfs/dbraw/zinc/60/45/87/387604587.db2.gz LOVNJMZYNIDQRJ-CYBMUJFWSA-N 1 0 248.370 2.085 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(F)(F)CC1 ZINC000527539700 387608111 /nfs/dbraw/zinc/60/81/11/387608111.db2.gz OBKNHEYCHAIFPQ-JTQLQIEISA-N 1 0 246.301 2.018 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(F)(F)CC1 ZINC000527539703 387609194 /nfs/dbraw/zinc/60/91/94/387609194.db2.gz OBKNHEYCHAIFPQ-SNVBAGLBSA-N 1 0 246.301 2.018 20 30 BEEDRO CC(C)[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000035216118 387563758 /nfs/dbraw/zinc/56/37/58/387563758.db2.gz OJKBCXZIFIBIES-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000279542786 387566879 /nfs/dbraw/zinc/56/68/79/387566879.db2.gz QFZWAYQNCVWHCM-AAEUAGOBSA-N 1 0 248.370 2.384 20 30 BEEDRO CC(C)c1ncc2c(n1)CCN(CCCC#N)C2 ZINC000527622703 387640070 /nfs/dbraw/zinc/64/00/70/387640070.db2.gz WSZBSSLGWUJXTF-UHFFFAOYSA-N 1 0 244.342 2.262 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1cnn(C)c1 ZINC000430740370 387647470 /nfs/dbraw/zinc/64/74/70/387647470.db2.gz KDFNFPSZFGVSSS-LBPRGKRZSA-N 1 0 232.331 2.155 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000430738394 387647685 /nfs/dbraw/zinc/64/76/85/387647685.db2.gz LCQSIXKTKOCVCL-GRYCIOLGSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000527734771 387683014 /nfs/dbraw/zinc/68/30/14/387683014.db2.gz JMEIYBBSZVFRRF-NWDGAFQWSA-N 1 0 210.365 2.128 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000044688866 387688212 /nfs/dbraw/zinc/68/82/12/387688212.db2.gz LPNJXXMVMXSUOJ-NSHDSACASA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521460417 387754936 /nfs/dbraw/zinc/75/49/36/387754936.db2.gz AHLFDVRVZVUEBC-CHWSQXEVSA-N 1 0 238.375 2.367 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000127357437 387711198 /nfs/dbraw/zinc/71/11/98/387711198.db2.gz WXUQNVONEAVCHZ-NXEZZACHSA-N 1 0 249.745 2.385 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](COC)CC1 ZINC000452073260 387724764 /nfs/dbraw/zinc/72/47/64/387724764.db2.gz ASKNMODVRGHXRV-UONOGXRCSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[NH2+]C(C)(C)CN1CCCC1 ZINC000452099493 387736213 /nfs/dbraw/zinc/73/62/13/387736213.db2.gz WRSFEARRLWAGOV-UHFFFAOYSA-N 1 0 240.391 2.043 20 30 BEEDRO COC[C@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000452107148 387737196 /nfs/dbraw/zinc/73/71/96/387737196.db2.gz SATRGGQUKYUMKS-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](N(C)CCC(C)(C)C#N)C1 ZINC000452114605 387739960 /nfs/dbraw/zinc/73/99/60/387739960.db2.gz KOKRKJOHTUBHAS-ZDUSSCGKSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H](CCO)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353256837 387768750 /nfs/dbraw/zinc/76/87/50/387768750.db2.gz PVDJTEYBBIZTFS-NHYWBVRUSA-N 1 0 244.338 2.154 20 30 BEEDRO C[C@@H](CCCO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353261488 387769686 /nfs/dbraw/zinc/76/96/86/387769686.db2.gz HBJNNZPFGPJDFA-XHDPSFHLSA-N 1 0 244.338 2.296 20 30 BEEDRO CC[C@](C)(O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353384903 387783684 /nfs/dbraw/zinc/78/36/84/387783684.db2.gz LTCMAJNFMTUZAW-GJZGRUSLSA-N 1 0 244.338 2.296 20 30 BEEDRO COC[C@H](C)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353412894 387790489 /nfs/dbraw/zinc/79/04/89/387790489.db2.gz NPCIJHMVPULSQJ-IAQYHMDHSA-N 1 0 244.338 2.418 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527922776 387791658 /nfs/dbraw/zinc/79/16/58/387791658.db2.gz BDRDBGHKNSPVCS-MJBXVCDLSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)N(C)C ZINC000353426419 387794840 /nfs/dbraw/zinc/79/48/40/387794840.db2.gz MIIJVJWNEPWVPG-IAQYHMDHSA-N 1 0 243.354 2.085 20 30 BEEDRO CS[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000294468504 387795441 /nfs/dbraw/zinc/79/54/41/387795441.db2.gz VJZYARBQJSZXDD-CYBMUJFWSA-N 1 0 232.352 2.496 20 30 BEEDRO N#CCN(CC[NH+]1CCCCC1)C1CCCC1 ZINC000151124104 387802133 /nfs/dbraw/zinc/80/21/33/387802133.db2.gz VUXDHPSAHDBIHS-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO C[C@H](N[C@@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999866 387805017 /nfs/dbraw/zinc/80/50/17/387805017.db2.gz TWGLVWKSSWQFGE-WFASDCNBSA-N 1 0 243.354 2.229 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000049948794 387805163 /nfs/dbraw/zinc/80/51/63/387805163.db2.gz VUUQYURXEGOKEB-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2F)C1 ZINC000442633145 387810298 /nfs/dbraw/zinc/81/02/98/387810298.db2.gz HZICIYCELAOWLP-NEPJUHHUSA-N 1 0 248.301 2.486 20 30 BEEDRO C=CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194187594 387819846 /nfs/dbraw/zinc/81/98/46/387819846.db2.gz SSEAYQODVXMMIN-IJLUTSLNSA-N 1 0 207.317 2.110 20 30 BEEDRO CC(C)C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N(C)C ZINC000442711242 387826334 /nfs/dbraw/zinc/82/63/34/387826334.db2.gz DTIZFPHBACOCTK-BFHYXJOUSA-N 1 0 237.391 2.245 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000564095207 387827933 /nfs/dbraw/zinc/82/79/33/387827933.db2.gz RNECELUSFAQGFA-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCC[C@@H](C)C1 ZINC000442719235 387829334 /nfs/dbraw/zinc/82/93/34/387829334.db2.gz RHORJQGDCKWWNA-KBXIAJHMSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000442771911 387836800 /nfs/dbraw/zinc/83/68/00/387836800.db2.gz VADHMNNBLBVKEG-VHDGCEQUSA-N 1 0 244.338 2.392 20 30 BEEDRO CCC(CC)(CCO)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442778980 387836809 /nfs/dbraw/zinc/83/68/09/387836809.db2.gz HXIJKFZKFVWESE-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000442792980 387840983 /nfs/dbraw/zinc/84/09/83/387840983.db2.gz AILOPUUSGWVHHE-YRGRVCCFSA-N 1 0 238.375 2.140 20 30 BEEDRO N#CCCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423027034 387843988 /nfs/dbraw/zinc/84/39/88/387843988.db2.gz CRZKSWRWQYHBAM-OLZOCXBDSA-N 1 0 215.300 2.025 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000433007951 387847900 /nfs/dbraw/zinc/84/79/00/387847900.db2.gz BQFGONXBAPHNTH-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO[C@H]1C1CC1 ZINC000442832200 387848157 /nfs/dbraw/zinc/84/81/57/387848157.db2.gz AQPPCKIOMUVYDX-PMOUVXMZSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)C1 ZINC000442832374 387848904 /nfs/dbraw/zinc/84/89/04/387848904.db2.gz DCEZMAVQTNAAKV-CABNGKKXSA-N 1 0 234.343 2.226 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000424173500 387874012 /nfs/dbraw/zinc/87/40/12/387874012.db2.gz QAKZZDXJWPSPBC-PPCPHDFISA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCn1cc(C[NH2+]C2CCCCCC2)nn1 ZINC000424166310 387852462 /nfs/dbraw/zinc/85/24/62/387852462.db2.gz AGMLCHADVBYYRL-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@H](C)C2)nn1 ZINC000424167102 387853995 /nfs/dbraw/zinc/85/39/95/387853995.db2.gz BVFKXPNEPDPSLV-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442876529 387855398 /nfs/dbraw/zinc/85/53/98/387855398.db2.gz PPTKHTGHRURBTA-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000442878835 387855747 /nfs/dbraw/zinc/85/57/47/387855747.db2.gz VEELECCOEPFBAU-BLYZHGLHSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CC[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000193717794 387861211 /nfs/dbraw/zinc/86/12/11/387861211.db2.gz FLUGLEQCUPIVNJ-UHFFFAOYSA-N 1 0 217.312 2.282 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccc(OC)c1 ZINC000424172355 387864801 /nfs/dbraw/zinc/86/48/01/387864801.db2.gz LYNQHSVNRVMIQX-ZFWWWQNUSA-N 1 0 247.338 2.376 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)nn1 ZINC000424170090 387865536 /nfs/dbraw/zinc/86/55/36/387865536.db2.gz JBBAIEGQCCQIJW-FRRDWIJNSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000424173498 387870392 /nfs/dbraw/zinc/87/03/92/387870392.db2.gz QAKZZDXJWPSPBC-OFTGVCEQSA-N 1 0 209.333 2.212 20 30 BEEDRO CCCc1nccn1CCCSCC#N ZINC000158099506 387897045 /nfs/dbraw/zinc/89/70/45/387897045.db2.gz WCZRRIHSORCJHS-UHFFFAOYSA-N 1 0 223.345 2.482 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cnccc1N ZINC000423083400 387878394 /nfs/dbraw/zinc/87/83/94/387878394.db2.gz FZFYLYHMLXWHJA-SNVBAGLBSA-N 1 0 205.305 2.111 20 30 BEEDRO C=CCOc1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000423097768 387886924 /nfs/dbraw/zinc/88/69/24/387886924.db2.gz BJHINNLQKLYNPJ-CABCVRRESA-N 1 0 246.354 2.221 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000452775402 387915938 /nfs/dbraw/zinc/91/59/38/387915938.db2.gz OETNVBNUNGYGFO-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])Nc1ccccc1)C(C)(C)C ZINC000262303370 533221013 /nfs/dbraw/zinc/22/10/13/533221013.db2.gz LMQMJIQULXEXHC-GFCCVEGCSA-N 1 0 229.327 2.461 20 30 BEEDRO CC(C)n1cncc1C[NH2+]CC1(CC#N)CC1 ZINC000424195447 387920997 /nfs/dbraw/zinc/92/09/97/387920997.db2.gz SVCPOHWMJPAJRD-UHFFFAOYSA-N 1 0 232.331 2.247 20 30 BEEDRO COCC1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000424196404 387922293 /nfs/dbraw/zinc/92/22/93/387922293.db2.gz FYFAFSYSNKVSMG-GNRIBBGQSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000321064574 387941037 /nfs/dbraw/zinc/94/10/37/387941037.db2.gz YSUFKAKRLSOGTI-TZMCWYRMSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)N1CCC[C@@H]1C ZINC000438794933 387956238 /nfs/dbraw/zinc/95/62/38/387956238.db2.gz UEMVEZHXNPNDCB-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cnccc1N ZINC000423163408 387946383 /nfs/dbraw/zinc/94/63/83/387946383.db2.gz RBOOKRCBWPZRGZ-JTQLQIEISA-N 1 0 205.305 2.111 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(=O)C[C@H]1C ZINC001172492166 974839921 /nfs/dbraw/zinc/83/99/21/974839921.db2.gz JDCSUDOGXSFBPQ-WDEREUQCSA-N 1 0 208.305 2.122 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC(F)(F)CO ZINC000184714639 387950553 /nfs/dbraw/zinc/95/05/53/387950553.db2.gz YOYSNFLOENRQSJ-JTQLQIEISA-N 1 0 221.291 2.339 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C)CCC(C)C)nn1 ZINC000424297878 387957996 /nfs/dbraw/zinc/95/79/96/387957996.db2.gz RFRFTENSDPEXRW-LBPRGKRZSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccoc1C ZINC000321194224 387958139 /nfs/dbraw/zinc/95/81/39/387958139.db2.gz GLDMZQLNQOUEME-LBPRGKRZSA-N 1 0 209.289 2.005 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC12CCC2 ZINC000424298681 387958940 /nfs/dbraw/zinc/95/89/40/387958940.db2.gz SZBQDUDHXOTCFE-RWMBFGLXSA-N 1 0 221.344 2.500 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)nn1 ZINC000424298635 387958950 /nfs/dbraw/zinc/95/89/50/387958950.db2.gz STTBMHYJONHLQB-OUCADQQQSA-N 1 0 248.374 2.378 20 30 BEEDRO C[NH+](C)CCSCc1cccc(C#N)c1 ZINC000058240529 387959770 /nfs/dbraw/zinc/95/97/70/387959770.db2.gz BFHBNNSYODYUJN-UHFFFAOYSA-N 1 0 220.341 2.353 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000424300945 387960616 /nfs/dbraw/zinc/96/06/16/387960616.db2.gz YUBPHOOHEHRBLD-CYDGBPFRSA-N 1 0 247.342 2.070 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000453015004 387960571 /nfs/dbraw/zinc/96/05/71/387960571.db2.gz MDYFLFCHKBWLAB-AVGNSLFASA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cn(CC=C)nn1 ZINC000424300161 387960980 /nfs/dbraw/zinc/96/09/80/387960980.db2.gz WZKBXRYQWFEBLC-NWDGAFQWSA-N 1 0 234.347 2.154 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000424312107 387965529 /nfs/dbraw/zinc/96/55/29/387965529.db2.gz VZQYJVLQTYNNOA-NWDGAFQWSA-N 1 0 247.404 2.002 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320678 387969510 /nfs/dbraw/zinc/96/95/10/387969510.db2.gz GEGLDZBGGNUGGG-SDDRHHMPSA-N 1 0 232.331 2.246 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccoc1C ZINC000321188525 387956754 /nfs/dbraw/zinc/95/67/54/387956754.db2.gz FTCVXVLRDXGLJV-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424336365 387978985 /nfs/dbraw/zinc/97/89/85/387978985.db2.gz XTQTVIYHCZPZGP-ADEWGFFLSA-N 1 0 232.331 2.071 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000424337075 387980061 /nfs/dbraw/zinc/98/00/61/387980061.db2.gz YTBAPSGPZBIFML-XHJNMGKDSA-N 1 0 246.354 2.226 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCNC1 ZINC000423188633 387973570 /nfs/dbraw/zinc/97/35/70/387973570.db2.gz LVOUIUSPYFWCRE-STQMWFEESA-N 1 0 210.365 2.463 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000424330017 387975747 /nfs/dbraw/zinc/97/57/47/387975747.db2.gz PZLNGJCEXRPQMO-UHTWSYAYSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245913792 387993964 /nfs/dbraw/zinc/99/39/64/387993964.db2.gz RQTZTWASIBYZLM-RYUDHWBXSA-N 1 0 227.373 2.159 20 30 BEEDRO CSCCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000439472371 387999885 /nfs/dbraw/zinc/99/98/85/387999885.db2.gz SREBQPOHMXBSGZ-LLVKDONJSA-N 1 0 225.361 2.115 20 30 BEEDRO CSCCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000439472372 388001116 /nfs/dbraw/zinc/00/11/16/388001116.db2.gz SREBQPOHMXBSGZ-NSHDSACASA-N 1 0 225.361 2.115 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000246074066 388006577 /nfs/dbraw/zinc/00/65/77/388006577.db2.gz ZTHPDKCJXLIUBW-AVGNSLFASA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CCc2ccccc2CC1 ZINC000453201931 388008234 /nfs/dbraw/zinc/00/82/34/388008234.db2.gz SOQPXSKQTDQDMD-INIZCTEOSA-N 1 0 245.366 2.461 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C12CCC2 ZINC000453205977 388009848 /nfs/dbraw/zinc/00/98/48/388009848.db2.gz DNQWREQVCBMBFZ-VXGBXAGGSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@](C)(O)COC)C1CC1 ZINC000453249575 388024628 /nfs/dbraw/zinc/02/46/28/388024628.db2.gz GPJURKZWEJSDMY-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@@](C)(O)COC)C1CC1 ZINC000453249579 388025390 /nfs/dbraw/zinc/02/53/90/388025390.db2.gz GPJURKZWEJSDMY-ZIAGYGMSSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCO1 ZINC000453290853 388036076 /nfs/dbraw/zinc/03/60/76/388036076.db2.gz MBKBZOTVJVIJSK-MROQNXINSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000446820920 388038501 /nfs/dbraw/zinc/03/85/01/388038501.db2.gz JGEYMLNCXCEMLP-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](COC)C1CCOCC1 ZINC000453305023 388039860 /nfs/dbraw/zinc/03/98/60/388039860.db2.gz GOFRWRKOEDLETL-CYBMUJFWSA-N 1 0 241.375 2.230 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1nccn1CC ZINC000453338631 388052342 /nfs/dbraw/zinc/05/23/42/388052342.db2.gz HAFAMIQGDHDWHT-UPJWGTAASA-N 1 0 249.358 2.287 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC1(C)C ZINC000453362556 388059521 /nfs/dbraw/zinc/05/95/21/388059521.db2.gz QWECSITWJZBIRC-GRYCIOLGSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000453373805 388062227 /nfs/dbraw/zinc/06/22/27/388062227.db2.gz WVKAWBPMZBSIKF-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000453375836 388064345 /nfs/dbraw/zinc/06/43/45/388064345.db2.gz XLRWGORIUPRFGX-BZPMIXESSA-N 1 0 249.358 2.113 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000447531231 388076268 /nfs/dbraw/zinc/07/62/68/388076268.db2.gz QKACYLVFIHLANZ-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](C#N)C2)O1 ZINC000453411289 388077485 /nfs/dbraw/zinc/07/74/85/388077485.db2.gz QRNFRESXZVNQOW-FVCCEPFGSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H]2CCCCN2C1=O ZINC000453420747 388079910 /nfs/dbraw/zinc/07/99/10/388079910.db2.gz DLGMUPZJWBIPHO-AVGNSLFASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1sccc1Cl ZINC000336659458 388084526 /nfs/dbraw/zinc/08/45/26/388084526.db2.gz SQHMEJBNCOFGNX-ZETCQYMHSA-N 1 0 217.721 2.038 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000080643123 388096796 /nfs/dbraw/zinc/09/67/96/388096796.db2.gz VPZKSFKZHWNWMP-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000447848801 388096925 /nfs/dbraw/zinc/09/69/25/388096925.db2.gz NBKZAAZGVSEHDI-MELADBBJSA-N 1 0 239.359 2.221 20 30 BEEDRO N#CCCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000160968616 388106609 /nfs/dbraw/zinc/10/66/09/388106609.db2.gz GIXDJWHTFUKDMD-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ncc(Cl)s1 ZINC000336661660 388108230 /nfs/dbraw/zinc/10/82/30/388108230.db2.gz CCHBETVCHPKXSA-QMMMGPOBSA-N 1 0 246.763 2.071 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CN)C1CC1 ZINC000423268431 388047390 /nfs/dbraw/zinc/04/73/90/388047390.db2.gz DRCMCBNSPTVFOP-QWHCGFSZSA-N 1 0 210.365 2.448 20 30 BEEDRO C[C@H](CO)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449199060 388157061 /nfs/dbraw/zinc/15/70/61/388157061.db2.gz AVNXICXQGLVNPK-HSBZDZAISA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449206958 388157865 /nfs/dbraw/zinc/15/78/65/388157865.db2.gz QEGCGXCYOHRXRN-IYXRBSQSSA-N 1 0 236.359 2.233 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449234127 388160433 /nfs/dbraw/zinc/16/04/33/388160433.db2.gz AUCYZXCEVLXGPR-LBPRGKRZSA-N 1 0 249.358 2.025 20 30 BEEDRO C[C@@H](O)C[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449233458 388160493 /nfs/dbraw/zinc/16/04/93/388160493.db2.gz LRCNJEUZUXDOAM-OKZRHMCRSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCCn1ccnn1 ZINC000449239486 388160687 /nfs/dbraw/zinc/16/06/87/388160687.db2.gz JZOALUFSGMQWKW-CYBMUJFWSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2ccoc21 ZINC000449239034 388161024 /nfs/dbraw/zinc/16/10/24/388161024.db2.gz UHFWALAGKXWSSF-CYBMUJFWSA-N 1 0 231.295 2.459 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1c(C)nnn1CC ZINC000449254005 388163826 /nfs/dbraw/zinc/16/38/26/388163826.db2.gz VRAMFWHNAUVFOP-NSHDSACASA-N 1 0 236.363 2.441 20 30 BEEDRO CCCN(CC#N)Cc1nccn1C(C)C ZINC000195515080 388165127 /nfs/dbraw/zinc/16/51/27/388165127.db2.gz QKBNTFSGYZTAHB-UHFFFAOYSA-N 1 0 220.320 2.200 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449303804 388170798 /nfs/dbraw/zinc/17/07/98/388170798.db2.gz ZAMZRSUBCWBIMU-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)nnn1CC ZINC000449339607 388176127 /nfs/dbraw/zinc/17/61/27/388176127.db2.gz KXYFKRVYXDNBKM-UHFFFAOYSA-N 1 0 236.363 2.298 20 30 BEEDRO C=C(C)CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000456114011 388178668 /nfs/dbraw/zinc/17/86/68/388178668.db2.gz AECMZIBPUSFPAO-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000456117221 388179497 /nfs/dbraw/zinc/17/94/97/388179497.db2.gz OABGGAPCNQEJHT-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO COCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449062869 388137559 /nfs/dbraw/zinc/13/75/59/388137559.db2.gz KOLWKZYFUPXVQP-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]CC1(O)CCC1 ZINC000591764903 388139449 /nfs/dbraw/zinc/13/94/49/388139449.db2.gz RWRMAWFQXDEOEQ-AWEZNQCLSA-N 1 0 242.322 2.050 20 30 BEEDRO CN(C)[C@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449092430 388141207 /nfs/dbraw/zinc/14/12/07/388141207.db2.gz SMCLNZLCSADFKA-SHARSMKWSA-N 1 0 249.402 2.389 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449095253 388141461 /nfs/dbraw/zinc/14/14/61/388141461.db2.gz XIQNSOWVVVFAOR-MOKVOYLWSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCCC(=O)NC ZINC000449104946 388142834 /nfs/dbraw/zinc/14/28/34/388142834.db2.gz XEWMKPNOAROVMP-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000449183722 388154154 /nfs/dbraw/zinc/15/41/54/388154154.db2.gz LJBJMJOBXVATNQ-TZMCWYRMSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCN(C(C)=O)C1 ZINC000449183720 388154167 /nfs/dbraw/zinc/15/41/67/388154167.db2.gz LJBJMJOBXVATNQ-OCCSQVGLSA-N 1 0 238.375 2.332 20 30 BEEDRO CCc1cc(NCC(C)(C)C#N)cc[nH+]1 ZINC000450438037 388256035 /nfs/dbraw/zinc/25/60/35/388256035.db2.gz UKJLJAUOPSIUKX-UHFFFAOYSA-N 1 0 203.289 2.028 20 30 BEEDRO C#CC[N@@H+](Cc1ccnc(OC)c1)C1CCCC1 ZINC000490892641 388257986 /nfs/dbraw/zinc/25/79/86/388257986.db2.gz NQQJMQIIFQELSH-UHFFFAOYSA-N 1 0 244.338 2.468 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(CC)C(=O)[C@@H]1C ZINC000489037048 388203171 /nfs/dbraw/zinc/20/31/71/388203171.db2.gz HZNFHIDBPAZKJS-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cccc(C#N)c1 ZINC000313140762 256541596 /nfs/dbraw/zinc/54/15/96/256541596.db2.gz HUFPTJZTNCXFCF-UONOGXRCSA-N 1 0 232.327 2.197 20 30 BEEDRO C=CCN1CCOc2ccc(F)cc2C1 ZINC000489167775 388204964 /nfs/dbraw/zinc/20/49/64/388204964.db2.gz LCYZCYNMJNPOLZ-UHFFFAOYSA-N 1 0 207.248 2.206 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C(=O)N(C)CC)C(C)C ZINC000449439730 388206223 /nfs/dbraw/zinc/20/62/23/388206223.db2.gz JENLIRLUDHGQMZ-OLZOCXBDSA-N 1 0 240.391 2.434 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000449445340 388207936 /nfs/dbraw/zinc/20/79/36/388207936.db2.gz IAVBEFWWPZNCIK-GWCFXTLKSA-N 1 0 233.290 2.393 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CCCn1ccnc1 ZINC000489392645 388210875 /nfs/dbraw/zinc/21/08/75/388210875.db2.gz AVVRHTHVCWKMSF-CYBMUJFWSA-N 1 0 219.332 2.314 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@H]1CC1(C)C ZINC000489411360 388211350 /nfs/dbraw/zinc/21/13/50/388211350.db2.gz IQGJQNHWOSKFOG-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO CC[C@](C)(C[NH2+][C@@H]1CCC[C@H](C#N)C1)OC ZINC000449472629 388213089 /nfs/dbraw/zinc/21/30/89/388213089.db2.gz GDZKJWZJWOHMMU-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CC(=O)NCCCCC ZINC000489444640 388214499 /nfs/dbraw/zinc/21/44/99/388214499.db2.gz DXOHGAHNZCYREB-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccc(C(N)=O)c1 ZINC000489449107 388215369 /nfs/dbraw/zinc/21/53/69/388215369.db2.gz NMYHFQWUHBCVGB-CQSZACIVSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CCCC[N@@H+](CCOC)[C@@H]1CCO[C@H]1C ZINC000489467703 388215742 /nfs/dbraw/zinc/21/57/42/388215742.db2.gz VRJBZKXPTGZTNH-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)CCn1cccn1 ZINC000449484013 388216224 /nfs/dbraw/zinc/21/62/24/388216224.db2.gz DTFBFXFJNSAZCU-GFCCVEGCSA-N 1 0 221.348 2.464 20 30 BEEDRO C=CCCC[N@@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000489467701 388216365 /nfs/dbraw/zinc/21/63/65/388216365.db2.gz VRJBZKXPTGZTNH-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCCCC[N@@H+]1CC[S@](=O)C[C@H](C)C1 ZINC000517855244 256553484 /nfs/dbraw/zinc/55/34/84/256553484.db2.gz DOBKHJALZXNCDU-DOMZBBRYSA-N 1 0 229.389 2.043 20 30 BEEDRO C=C(CC)C[N@H+](CCOC)[C@H]1CCO[C@@H]1C ZINC000489470571 388217374 /nfs/dbraw/zinc/21/73/74/388217374.db2.gz GBSUHAWUZPFRKL-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](O)CCOC(C)C ZINC000489500646 388219264 /nfs/dbraw/zinc/21/92/64/388219264.db2.gz SSXBLPKHDRWFJM-UONOGXRCSA-N 1 0 241.375 2.203 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CC)o1 ZINC000449516427 388221642 /nfs/dbraw/zinc/22/16/42/388221642.db2.gz AUBPUJSDJWWTJS-OLZOCXBDSA-N 1 0 221.300 2.275 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000449518206 388222393 /nfs/dbraw/zinc/22/23/93/388222393.db2.gz IQKGCQMIGRMIIJ-UHTWSYAYSA-N 1 0 241.400 2.451 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(COC)CC1 ZINC000449518690 388222514 /nfs/dbraw/zinc/22/25/14/388222514.db2.gz KIJBTMYEEXSJGP-PQAZSJQKSA-N 1 0 239.359 2.125 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)n[nH]c1C)C1CCCC1 ZINC000490900404 388259560 /nfs/dbraw/zinc/25/95/60/388259560.db2.gz VKEHFEFCPZRPBE-UHFFFAOYSA-N 1 0 231.343 2.404 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCC1CC1 ZINC000449522976 388223751 /nfs/dbraw/zinc/22/37/51/388223751.db2.gz WHPRPSWMUDCLIW-UHTWSYAYSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000449521250 388223757 /nfs/dbraw/zinc/22/37/57/388223757.db2.gz RLZXCYUFSPWYDS-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(CC)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000456815726 388224822 /nfs/dbraw/zinc/22/48/22/388224822.db2.gz ZCIPHLXTTWZHHE-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000449546479 388228756 /nfs/dbraw/zinc/22/87/56/388228756.db2.gz CFYKDKKJTXPHLL-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000449547625 388229136 /nfs/dbraw/zinc/22/91/36/388229136.db2.gz JDKYRXHHICIURJ-BNOWGMLFSA-N 1 0 232.327 2.466 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000449547798 388229511 /nfs/dbraw/zinc/22/95/11/388229511.db2.gz JQDAFDHQHNKXML-YYHQMBLXSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CSC[C@H]1C ZINC000449549432 388229575 /nfs/dbraw/zinc/22/95/75/388229575.db2.gz XXNKKYSRVBPKCM-KKOKHZNYSA-N 1 0 227.373 2.061 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)COC(C)C ZINC000449548036 388230010 /nfs/dbraw/zinc/23/00/10/388230010.db2.gz KWONJVPPYJCSCB-XQQFMLRXSA-N 1 0 227.348 2.123 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(CC)C1 ZINC000449548962 388230059 /nfs/dbraw/zinc/23/00/59/388230059.db2.gz SLWIZQKDTZXNGZ-TUUUFIMRSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000449547795 388230105 /nfs/dbraw/zinc/23/01/05/388230105.db2.gz JQDAFDHQHNKXML-CLPYTZEMSA-N 1 0 209.333 2.354 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449565064 388234128 /nfs/dbraw/zinc/23/41/28/388234128.db2.gz GEGLDZBGGNUGGG-SRVKXCTJSA-N 1 0 232.331 2.246 20 30 BEEDRO C#CC[N@@H+](CCOC)[C@H](C)c1ccccc1 ZINC000490593935 388241437 /nfs/dbraw/zinc/24/14/37/388241437.db2.gz GVFPHKSQZBXNQG-CYBMUJFWSA-N 1 0 217.312 2.329 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000164634919 388241997 /nfs/dbraw/zinc/24/19/97/388241997.db2.gz RMXWXFUYJAHDQA-COPLHBTASA-N 1 0 217.378 2.088 20 30 BEEDRO CCCc1ncc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000449613682 388243293 /nfs/dbraw/zinc/24/32/93/388243293.db2.gz SPNWIMKIOWGLET-GHMZBOCLSA-N 1 0 233.315 2.409 20 30 BEEDRO C#CC[N@@H+](CC)C1CC(OC(C)(C)C)C1 ZINC000491264355 388281207 /nfs/dbraw/zinc/28/12/07/388281207.db2.gz GFCMAGSJIBQRSH-UHFFFAOYSA-N 1 0 209.333 2.288 20 30 BEEDRO CC#CCC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451556195 388281290 /nfs/dbraw/zinc/28/12/90/388281290.db2.gz KSYPZTDUHXPBOG-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1c(C)nc2ccccn21 ZINC000491286406 388282333 /nfs/dbraw/zinc/28/23/33/388282333.db2.gz IIMHRNVWURMGNE-NSHDSACASA-N 1 0 227.311 2.096 20 30 BEEDRO N#CCCCC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451608063 388283959 /nfs/dbraw/zinc/28/39/59/388283959.db2.gz NBSOUNPFMNIHKC-KGLIPLIRSA-N 1 0 236.359 2.067 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000451609129 388284063 /nfs/dbraw/zinc/28/40/63/388284063.db2.gz OUEIQOGSBYAHAJ-OLZOCXBDSA-N 1 0 246.285 2.130 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)nc1C ZINC000451611824 388284246 /nfs/dbraw/zinc/28/42/46/388284246.db2.gz XVDKGZGVWPLZLC-KGLIPLIRSA-N 1 0 232.327 2.132 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451613190 388284470 /nfs/dbraw/zinc/28/44/70/388284470.db2.gz NAGPXMGBTRRQFA-ZIAGYGMSSA-N 1 0 223.360 2.339 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCOc1ccccc1 ZINC000491316438 388284750 /nfs/dbraw/zinc/28/47/50/388284750.db2.gz VQPFPQUSYJPDMM-UHFFFAOYSA-N 1 0 217.312 2.409 20 30 BEEDRO CC#CC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451621380 388284838 /nfs/dbraw/zinc/28/48/38/388284838.db2.gz VRISUYMONSRCQA-KGLIPLIRSA-N 1 0 233.355 2.291 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000491361365 388286292 /nfs/dbraw/zinc/28/62/92/388286292.db2.gz KYGVXHYLWGFBAL-LBPRGKRZSA-N 1 0 241.693 2.078 20 30 BEEDRO N#CCCC[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451646957 388288132 /nfs/dbraw/zinc/28/81/32/388288132.db2.gz LEYPGLOYOVZHLM-NSHDSACASA-N 1 0 210.346 2.118 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1NCc1nc(C)c(C)o1 ZINC000451675391 388289221 /nfs/dbraw/zinc/28/92/21/388289221.db2.gz PTGHSULRWYMFJY-NEPJUHHUSA-N 1 0 236.315 2.115 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCOc1ccccc1 ZINC000451676159 388289266 /nfs/dbraw/zinc/28/92/66/388289266.db2.gz RZCATNLHXYEEFW-CABCVRRESA-N 1 0 247.338 2.389 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCN(C)c1ccccc1 ZINC000491375586 388290010 /nfs/dbraw/zinc/29/00/10/388290010.db2.gz WQXQUJBKGWVCBO-ZDUSSCGKSA-N 1 0 216.328 2.076 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000491438961 388294845 /nfs/dbraw/zinc/29/48/45/388294845.db2.gz HDSCNFVFLUOYPC-GWCFXTLKSA-N 1 0 237.730 2.327 20 30 BEEDRO C#C[C@H](C)N(C)Cc1oc(CCC)nc1C ZINC000491442135 388295314 /nfs/dbraw/zinc/29/53/14/388295314.db2.gz ZXCKSGJDTPIJDS-JTQLQIEISA-N 1 0 220.316 2.389 20 30 BEEDRO C[N@H+](CCCCC#N)[C@H](CO)CC(C)(C)C ZINC000451781176 388295588 /nfs/dbraw/zinc/29/55/88/388295588.db2.gz OPDNGVIXYZNLJS-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C#CC[N@H+](Cc1ccc(C#N)cn1)C1CCCC1 ZINC000491454191 388295922 /nfs/dbraw/zinc/29/59/22/388295922.db2.gz WRYKMQGXGSEEBC-UHFFFAOYSA-N 1 0 239.322 2.331 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000491466005 388296628 /nfs/dbraw/zinc/29/66/28/388296628.db2.gz YRDBAMBVFHQUAF-ZFWWWQNUSA-N 1 0 235.371 2.415 20 30 BEEDRO C[N@H+](CC1(C#N)CC1)[C@H](CO)CC(C)(C)C ZINC000451788414 388296892 /nfs/dbraw/zinc/29/68/92/388296892.db2.gz KWFHOJNDGDDAMS-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO C#CC[N@@H+](CC)[C@H](C)[C@@H](O)c1ccccc1 ZINC000491475712 388297617 /nfs/dbraw/zinc/29/76/17/388297617.db2.gz ZFQPLSMREBGJJI-TZMCWYRMSA-N 1 0 217.312 2.064 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCC(C)C)C(C)(C)C ZINC000491486046 388298179 /nfs/dbraw/zinc/29/81/79/388298179.db2.gz SLFHSNXAFMTLDF-NSHDSACASA-N 1 0 223.364 2.194 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000451821875 388298182 /nfs/dbraw/zinc/29/81/82/388298182.db2.gz ILVJXDLZGHMGOA-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CC[N@H+](C)CC[C@@H]1CC1(Cl)Cl ZINC000491494181 388298663 /nfs/dbraw/zinc/29/86/63/388298663.db2.gz BAJXZANRZNFZMW-MRVPVSSYSA-N 1 0 206.116 2.135 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451844852 388300312 /nfs/dbraw/zinc/30/03/12/388300312.db2.gz WMHDXKGIUJBTND-NEPJUHHUSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451844854 388300349 /nfs/dbraw/zinc/30/03/49/388300349.db2.gz WMHDXKGIUJBTND-RYUDHWBXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451844853 388300453 /nfs/dbraw/zinc/30/04/53/388300453.db2.gz WMHDXKGIUJBTND-NWDGAFQWSA-N 1 0 209.333 2.452 20 30 BEEDRO C#CC[N@@H+](CCCC(C)(C)C#N)C1CC1 ZINC000491523023 388300975 /nfs/dbraw/zinc/30/09/75/388300975.db2.gz BCDPIMWPAYGVCX-UHFFFAOYSA-N 1 0 204.317 2.414 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2c(n1)CCC2 ZINC000491544468 388303199 /nfs/dbraw/zinc/30/31/99/388303199.db2.gz LTZFIVKQDQUXND-UHFFFAOYSA-N 1 0 214.312 2.025 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cccc(C#N)c1F ZINC000491565799 388304049 /nfs/dbraw/zinc/30/40/49/388304049.db2.gz CJBIGVNDWJXGME-JTQLQIEISA-N 1 0 216.259 2.151 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)Cc1cccc(OC)n1 ZINC000491616985 388304894 /nfs/dbraw/zinc/30/48/94/388304894.db2.gz BMUNRKOVHQUUJE-RYUDHWBXSA-N 1 0 232.327 2.023 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCc1cnccc1C ZINC000491618229 388305096 /nfs/dbraw/zinc/30/50/96/388305096.db2.gz CPHTWTSYZODPLI-CYBMUJFWSA-N 1 0 216.328 2.276 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)[C@@H](C)c1ccccc1)C(C)C ZINC000491620714 388305562 /nfs/dbraw/zinc/30/55/62/388305562.db2.gz DZGAMHGUUOPXEE-CWRNSKLLSA-N 1 0 245.366 2.398 20 30 BEEDRO C#CC[N@H+](C)CCOC1CCCCCC1 ZINC000491659281 388308778 /nfs/dbraw/zinc/30/87/78/388308778.db2.gz CIJLXGSWZUGTSY-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOc1ccccc1F ZINC000491658719 388308828 /nfs/dbraw/zinc/30/88/28/388308828.db2.gz HRRFATFCUUXICI-LLVKDONJSA-N 1 0 221.275 2.158 20 30 BEEDRO C#CC[NH+](CC#C)CC[C@@H]1CC1(Cl)Cl ZINC000491673394 388309757 /nfs/dbraw/zinc/30/97/57/388309757.db2.gz ILBLGRKBQXLYMD-SNVBAGLBSA-N 1 0 230.138 2.139 20 30 BEEDRO C#CC[NH+](CC#C)CC[C@H]1CC1(Cl)Cl ZINC000491673383 388309925 /nfs/dbraw/zinc/30/99/25/388309925.db2.gz ILBLGRKBQXLYMD-JTQLQIEISA-N 1 0 230.138 2.139 20 30 BEEDRO C#C[C@H](CCC)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000491697923 388312169 /nfs/dbraw/zinc/31/21/69/388312169.db2.gz RWBXRPMWHOKPME-OLZOCXBDSA-N 1 0 238.375 2.025 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)(C)C ZINC000491706880 388313259 /nfs/dbraw/zinc/31/32/59/388313259.db2.gz KVFRWMIVKOUJNQ-WDEREUQCSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@@H]1CCCCC1(F)F ZINC000491711323 388313754 /nfs/dbraw/zinc/31/37/54/388313754.db2.gz WCGDEMJBPYXTLN-NWDGAFQWSA-N 1 0 243.297 2.146 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@H]1CCCCC1(F)F ZINC000491711328 388313769 /nfs/dbraw/zinc/31/37/69/388313769.db2.gz WCGDEMJBPYXTLN-VXGBXAGGSA-N 1 0 243.297 2.146 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCCc1cc(CC)no1 ZINC000491724476 388314757 /nfs/dbraw/zinc/31/47/57/388314757.db2.gz GFNUNNOXORAYOE-LLVKDONJSA-N 1 0 220.316 2.123 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCC(COC)CC1 ZINC000491755213 388318051 /nfs/dbraw/zinc/31/80/51/388318051.db2.gz YYQQCKGCYMFLAZ-OTTFEQOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C(C)C)C1CCCCC1 ZINC000491762204 388318591 /nfs/dbraw/zinc/31/85/91/388318591.db2.gz ZIWRDEUVXDJCSY-CQSZACIVSA-N 1 0 223.360 2.271 20 30 BEEDRO C#CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000491778399 388320085 /nfs/dbraw/zinc/32/00/85/388320085.db2.gz YKGRERHRIGZQSJ-NWDGAFQWSA-N 1 0 237.343 2.062 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@H]1CCC(F)(F)C1 ZINC000491782882 388320629 /nfs/dbraw/zinc/32/06/29/388320629.db2.gz JDWVHDRITZDGKN-LBPRGKRZSA-N 1 0 225.282 2.380 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000491788600 388321221 /nfs/dbraw/zinc/32/12/21/388321221.db2.gz STUXHSVUTZOOEN-RISCZKNCSA-N 1 0 235.302 2.121 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOCC1CCCC1 ZINC000491802452 388321530 /nfs/dbraw/zinc/32/15/30/388321530.db2.gz GKOYBXNKABAFKX-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc2cccnc2o1 ZINC000491811328 388322780 /nfs/dbraw/zinc/32/27/80/388322780.db2.gz BYGKPMBTMZVDLE-JTQLQIEISA-N 1 0 214.268 2.281 20 30 BEEDRO C#CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000491810908 388322807 /nfs/dbraw/zinc/32/28/07/388322807.db2.gz KLCMNSXBVNALLH-GFCCVEGCSA-N 1 0 202.301 2.016 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000491812847 388322947 /nfs/dbraw/zinc/32/29/47/388322947.db2.gz ORKAXIMVONVAGZ-LLVKDONJSA-N 1 0 248.301 2.108 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCC)c1ccc(F)cc1 ZINC000491812979 388322975 /nfs/dbraw/zinc/32/29/75/388322975.db2.gz JXQYEPFZDGCKBA-GFCCVEGCSA-N 1 0 233.290 2.024 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C(=O)N(C)CC)C(C)C ZINC000451313039 388261753 /nfs/dbraw/zinc/26/17/53/388261753.db2.gz LRDKLCLTLPYRRW-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000336663342 388262016 /nfs/dbraw/zinc/26/20/16/388262016.db2.gz CWOSCNJBXFDHGY-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@]12C[N@H+](CCC#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451367471 388265464 /nfs/dbraw/zinc/26/54/64/388265464.db2.gz KEZLNYNEZZZGTL-XQHKEYJVSA-N 1 0 202.301 2.044 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1c(C)noc1C ZINC000491072958 388267810 /nfs/dbraw/zinc/26/78/10/388267810.db2.gz WNRIIIRAHOVUIW-UHFFFAOYSA-N 1 0 220.316 2.178 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)c1cc2ccccc2o1 ZINC000491118374 388270011 /nfs/dbraw/zinc/27/00/11/388270011.db2.gz CYYGAXCNANARKJ-DGCLKSJQSA-N 1 0 243.306 2.420 20 30 BEEDRO C=C(C)C[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451406495 388270292 /nfs/dbraw/zinc/27/02/92/388270292.db2.gz SXAKBPSNRIJYBS-UHFFFAOYSA-N 1 0 234.347 2.015 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(OC)ccc1F ZINC000491126085 388271683 /nfs/dbraw/zinc/27/16/83/388271683.db2.gz KNPFZLKMLKCZJZ-LLVKDONJSA-N 1 0 221.275 2.336 20 30 BEEDRO C#CCN(Cc1ccccc1)CC1(C#N)CC1 ZINC000491180108 388275308 /nfs/dbraw/zinc/27/53/08/388275308.db2.gz JVMZFTFSFJZLOS-UHFFFAOYSA-N 1 0 224.307 2.426 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCCO1)C1CCCCC1 ZINC000491202905 388277366 /nfs/dbraw/zinc/27/73/66/388277366.db2.gz RAWZMPICMIZODV-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO CC(C)O[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451490151 388277494 /nfs/dbraw/zinc/27/74/94/388277494.db2.gz CYBUKNRPAAVXSJ-RYUDHWBXSA-N 1 0 236.359 2.472 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCCO[C@H]21 ZINC000451481096 388277620 /nfs/dbraw/zinc/27/76/20/388277620.db2.gz SIBOLBDDRXKGAD-QJPTWQEYSA-N 1 0 234.343 2.083 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCC1 ZINC000451489469 388277646 /nfs/dbraw/zinc/27/76/46/388277646.db2.gz KCSXDBLWUKLHDZ-XQQFMLRXSA-N 1 0 246.354 2.227 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H]1C1CC1 ZINC000491210718 388277742 /nfs/dbraw/zinc/27/77/42/388277742.db2.gz XXPLSRFLSCLXAY-GJZGRUSLSA-N 1 0 234.387 2.110 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1ccccc1C ZINC000491252342 388278307 /nfs/dbraw/zinc/27/83/07/388278307.db2.gz HMSKSZGEXYETQS-CYBMUJFWSA-N 1 0 201.313 2.491 20 30 BEEDRO C[C@@H](O)C[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000594055887 388347185 /nfs/dbraw/zinc/34/71/85/388347185.db2.gz PGLBBGUVEQRDMJ-SNVBAGLBSA-N 1 0 248.301 2.043 20 30 BEEDRO C[NH+]1CCC(C)(CNc2ccc(C#N)cn2)CC1 ZINC000227307302 388360671 /nfs/dbraw/zinc/36/06/71/388360671.db2.gz UFARHCCFKVJNFM-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000594914057 388373359 /nfs/dbraw/zinc/37/33/59/388373359.db2.gz CDUOTDMKNAFATG-KBPBESRZSA-N 1 0 230.311 2.215 20 30 BEEDRO COC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000595055277 388376224 /nfs/dbraw/zinc/37/62/24/388376224.db2.gz BUWACHSSEGMFKR-OAHLLOKOSA-N 1 0 244.338 2.115 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595056006 388376258 /nfs/dbraw/zinc/37/62/58/388376258.db2.gz ONSKPNSJVLSWDP-NEPJUHHUSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000152891713 388377276 /nfs/dbraw/zinc/37/72/76/388377276.db2.gz HHUZGZKZHIJMOG-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164569771 388394388 /nfs/dbraw/zinc/39/43/88/388394388.db2.gz BCIXFDWSEWLNGL-SRVKXCTJSA-N 1 0 232.327 2.226 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H]1CCCN1C ZINC000572987599 388398967 /nfs/dbraw/zinc/39/89/67/388398967.db2.gz NWLZEPRBICQGFN-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)nn1C ZINC000393873353 388444581 /nfs/dbraw/zinc/44/45/81/388444581.db2.gz BLHNTYDSGGODOY-NSHDSACASA-N 1 0 207.321 2.173 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccccc1-n1cncn1 ZINC000648840081 388449287 /nfs/dbraw/zinc/44/92/87/388449287.db2.gz ZQRNPGTWRGBZGO-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C=CCCC1(C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000526010349 388455019 /nfs/dbraw/zinc/45/50/19/388455019.db2.gz IBARNXYKVSRKCS-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000309711739 388462064 /nfs/dbraw/zinc/46/20/64/388462064.db2.gz QVKIDMUUNPGRCJ-LLVKDONJSA-N 1 0 213.284 2.064 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000649244916 388468161 /nfs/dbraw/zinc/46/81/61/388468161.db2.gz NRSSKVNSGKCNGP-ZDUSSCGKSA-N 1 0 241.281 2.334 20 30 BEEDRO C=C(C)CNC(=O)C[C@H](C)n1ccnc1CC ZINC000648866160 388475032 /nfs/dbraw/zinc/47/50/32/388475032.db2.gz GKVGICWTVVNREH-NSHDSACASA-N 1 0 235.331 2.089 20 30 BEEDRO C=CCN(C)C(=O)C[C@@H](C)n1ccnc1CC ZINC000648866114 388475469 /nfs/dbraw/zinc/47/54/69/388475469.db2.gz DANHMXABCLTQMK-LLVKDONJSA-N 1 0 235.331 2.041 20 30 BEEDRO C[N@H+]1CC=C(CNc2cccc(F)c2C#N)CC1 ZINC000271839720 388407774 /nfs/dbraw/zinc/40/77/74/388407774.db2.gz PYVXAAVEGLZWCT-UHFFFAOYSA-N 1 0 245.301 2.371 20 30 BEEDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271920712 388412212 /nfs/dbraw/zinc/41/22/12/388412212.db2.gz DSFHAPASXDZEOQ-QWRGUYRKSA-N 1 0 249.333 2.298 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000271972826 388416813 /nfs/dbraw/zinc/41/68/13/388416813.db2.gz WZYBZZJGINWBSA-WDEREUQCSA-N 1 0 248.301 2.384 20 30 BEEDRO CC1(C)C[C@@H](C[NH2+]C[C@H](C#N)CCC#N)CCO1 ZINC000573083577 388419022 /nfs/dbraw/zinc/41/90/22/388419022.db2.gz BSAJGPSSBMUKOK-STQMWFEESA-N 1 0 249.358 2.225 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H]2CC[C@H](O)C2)ccc1C#N ZINC000443987097 388421510 /nfs/dbraw/zinc/42/15/10/388421510.db2.gz IMXNJRBNWCTUQN-ZFWWWQNUSA-N 1 0 244.338 2.117 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H]2CC[C@@H](O)C2)ccc1C#N ZINC000443987092 388423841 /nfs/dbraw/zinc/42/38/41/388423841.db2.gz IMXNJRBNWCTUQN-DZGCQCFKSA-N 1 0 244.338 2.117 20 30 BEEDRO Cc1cc(C[NH2+]C(C)(C)[C@@H](C)O)ccc1C#N ZINC000443994534 388424677 /nfs/dbraw/zinc/42/46/77/388424677.db2.gz DPQZOLZDJPNJHH-LLVKDONJSA-N 1 0 232.327 2.116 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)C1CCCC1 ZINC000339086317 388479661 /nfs/dbraw/zinc/47/96/61/388479661.db2.gz PXSQEUZBDZRJSZ-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308347895 388436496 /nfs/dbraw/zinc/43/64/96/388436496.db2.gz QUPPAFCZTWQHDX-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000528511273 388538541 /nfs/dbraw/zinc/53/85/41/388538541.db2.gz FFABYQOYRGXBGF-ZIAGYGMSSA-N 1 0 248.370 2.163 20 30 BEEDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528524833 388542057 /nfs/dbraw/zinc/54/20/57/388542057.db2.gz LTOPWXQTHIFEOS-NEPJUHHUSA-N 1 0 236.359 2.162 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C=C(/C)Cl ZINC000528522042 388542806 /nfs/dbraw/zinc/54/28/06/388542806.db2.gz QWSPXFZGRPVICL-LTAOASPFSA-N 1 0 201.697 2.062 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1cccc(C)n1 ZINC000517233710 388543138 /nfs/dbraw/zinc/54/31/38/388543138.db2.gz ZFRYNMUEWNTSGX-CABCVRRESA-N 1 0 246.354 2.256 20 30 BEEDRO C=CCCCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000520839806 388543774 /nfs/dbraw/zinc/54/37/74/388543774.db2.gz SXTNAEGSJICIKX-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177548056 388485780 /nfs/dbraw/zinc/48/57/80/388485780.db2.gz FECAFJIMUSDISU-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@@H](C#N)CCC#N ZINC000135248795 388486715 /nfs/dbraw/zinc/48/67/15/388486715.db2.gz WZNUUTOMOHRMOQ-GFCCVEGCSA-N 1 0 205.305 2.162 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500257 256795192 /nfs/dbraw/zinc/79/51/92/256795192.db2.gz YXNDKNMNOGICEU-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CCCO1 ZINC000342686182 388497802 /nfs/dbraw/zinc/49/78/02/388497802.db2.gz AEHDZKCFVLBOCR-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO CCN(CCC#N)Cc1ccc(CC#N)cc1 ZINC000343530765 388500780 /nfs/dbraw/zinc/50/07/80/388500780.db2.gz CWPPCYZSRUTQNH-UHFFFAOYSA-N 1 0 227.311 2.488 20 30 BEEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@H]1CCOC1 ZINC000343544890 388501156 /nfs/dbraw/zinc/50/11/56/388501156.db2.gz YBLCJRVBJNLYLH-OAHLLOKOSA-N 1 0 244.338 2.221 20 30 BEEDRO CCC([NH3+])(CC)CNc1cc(C#N)cc(C)n1 ZINC000161783838 388502645 /nfs/dbraw/zinc/50/26/45/388502645.db2.gz YEIIUZIEMBAHMN-UHFFFAOYSA-N 1 0 232.331 2.191 20 30 BEEDRO C=CCCCC[NH2+]C1(CO)CCSCC1 ZINC000516852529 388520544 /nfs/dbraw/zinc/52/05/44/388520544.db2.gz YBVYUWZQTTUIPY-UHFFFAOYSA-N 1 0 229.389 2.190 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(CC#N)cc1 ZINC000347381762 388523187 /nfs/dbraw/zinc/52/31/87/388523187.db2.gz UJDAVFCAKFXZCJ-UHFFFAOYSA-N 1 0 232.327 2.221 20 30 BEEDRO C[N@H+](CCCCC#N)C1CCC(CO)CC1 ZINC000136142757 388524312 /nfs/dbraw/zinc/52/43/12/388524312.db2.gz IFMIYUDBNPJCMP-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1cccc(C#N)c1 ZINC000109545747 388588399 /nfs/dbraw/zinc/58/83/99/388588399.db2.gz PJGMLOWULMFAKJ-SMDDNHRTSA-N 1 0 230.311 2.388 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC[C@@H]1C ZINC000328301630 388594293 /nfs/dbraw/zinc/59/42/93/388594293.db2.gz URFJBFKPXSGRLJ-KBPBESRZSA-N 1 0 222.376 2.110 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000185946656 388595086 /nfs/dbraw/zinc/59/50/86/388595086.db2.gz MPDHVJOIFYCTTR-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)CC1CCOCC1 ZINC000107064642 388599393 /nfs/dbraw/zinc/59/93/93/388599393.db2.gz WGPQEIDZDOXXHL-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cccc(C#N)c1 ZINC000296625775 388602158 /nfs/dbraw/zinc/60/21/58/388602158.db2.gz XCNKOZXKMSDXMA-LNSITVRQSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000037738979 388605333 /nfs/dbraw/zinc/60/53/33/388605333.db2.gz AHPYGYUWEFLEDC-YPMHNXCESA-N 1 0 230.311 2.245 20 30 BEEDRO CCCC[N@H+](C)CCNc1cccc(C#N)n1 ZINC000301269078 388610977 /nfs/dbraw/zinc/61/09/77/388610977.db2.gz JBHLDXYEMPJQEI-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C1CC(C(F)(F)F)C1 ZINC000521032439 256833990 /nfs/dbraw/zinc/83/39/90/256833990.db2.gz NTAPDXDWKSHWKS-XNWIYYODSA-N 1 0 245.248 2.360 20 30 BEEDRO C=CCCCC[NH+]1CCC(CCO)CC1 ZINC000649301501 388582610 /nfs/dbraw/zinc/58/26/10/388582610.db2.gz OQERDAPSIBORKY-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO COC[C@@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000519754299 388667240 /nfs/dbraw/zinc/66/72/40/388667240.db2.gz LLVKBCSGJWCJGA-LBPRGKRZSA-N 1 0 244.338 2.419 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000552080214 388667719 /nfs/dbraw/zinc/66/77/19/388667719.db2.gz SKZAHIGXNNZVHW-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC23CC3)cc1 ZINC000418095337 388674588 /nfs/dbraw/zinc/67/45/88/388674588.db2.gz LLGLZRXQAKTCMC-CYBMUJFWSA-N 1 0 212.296 2.448 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc2c1OCO2 ZINC000125790870 388676345 /nfs/dbraw/zinc/67/63/45/388676345.db2.gz AABQZLQVOVTQOM-UHFFFAOYSA-N 1 0 249.310 2.098 20 30 BEEDRO C#CCN(C)Cc1ncc(-c2ccccc2)o1 ZINC000192219143 388676972 /nfs/dbraw/zinc/67/69/72/388676972.db2.gz HTMNQXHKEGJURH-UHFFFAOYSA-N 1 0 226.279 2.407 20 30 BEEDRO CC[C@@H](NCc1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000422961155 388686602 /nfs/dbraw/zinc/68/66/02/388686602.db2.gz AUYPQKWDGIXUKU-CABCVRRESA-N 1 0 243.354 2.178 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246176896 388621005 /nfs/dbraw/zinc/62/10/05/388621005.db2.gz GJUOCSGXAAIJFT-NWDGAFQWSA-N 1 0 205.305 2.162 20 30 BEEDRO C=CCC(CC=C)C(=O)N(C)CCC[NH+](C)C ZINC000538316433 388684107 /nfs/dbraw/zinc/68/41/07/388684107.db2.gz WQXLFTYNFHZIPT-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO CC[N@H+](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000358577851 388624304 /nfs/dbraw/zinc/62/43/04/388624304.db2.gz VKMAETGAHTZOFK-NSHDSACASA-N 1 0 249.333 2.300 20 30 BEEDRO CC[N@H+](C)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000302747113 388626638 /nfs/dbraw/zinc/62/66/38/388626638.db2.gz FODXROVSNHXZQY-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)CO1 ZINC000403985270 388632616 /nfs/dbraw/zinc/63/26/16/388632616.db2.gz RKGAWMLIOBELPR-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000230152543 388634375 /nfs/dbraw/zinc/63/43/75/388634375.db2.gz YREXKGPLLCAHBJ-SKDRFNHKSA-N 1 0 236.340 2.277 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)C1 ZINC000551571078 388634512 /nfs/dbraw/zinc/63/45/12/388634512.db2.gz QAUMJUXXVWMAGY-NWDGAFQWSA-N 1 0 244.342 2.001 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000230160955 388634579 /nfs/dbraw/zinc/63/45/79/388634579.db2.gz GOAXGVLTSKMAQE-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(C#N)c1 ZINC000230154460 388635007 /nfs/dbraw/zinc/63/50/07/388635007.db2.gz WXKHOKJWPCQHTM-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H](CO)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000230160958 388635064 /nfs/dbraw/zinc/63/50/64/388635064.db2.gz GOAXGVLTSKMAQE-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C2CC2)s1 ZINC000230315346 388636537 /nfs/dbraw/zinc/63/65/37/388636537.db2.gz MSSPPXXSMIQVHA-STQMWFEESA-N 1 0 248.351 2.277 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405106627 388637511 /nfs/dbraw/zinc/63/75/11/388637511.db2.gz YYEGJTQAKOLYPQ-GHMZBOCLSA-N 1 0 224.373 2.411 20 30 BEEDRO CC[NH+](CC)CCn1nc(C#N)c2ccccc21 ZINC000361997679 388639447 /nfs/dbraw/zinc/63/94/47/388639447.db2.gz ZABDOJYTFGFCTP-UHFFFAOYSA-N 1 0 242.326 2.250 20 30 BEEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000304274583 388640367 /nfs/dbraw/zinc/64/03/67/388640367.db2.gz CNYFUIGWYMFWDP-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000514792001 388644473 /nfs/dbraw/zinc/64/44/73/388644473.db2.gz FGGNTGKJCKTVOS-JTQLQIEISA-N 1 0 245.282 2.308 20 30 BEEDRO C[N@H+](CCOc1cccc(C#N)c1)CC1CC1 ZINC000037903030 388649408 /nfs/dbraw/zinc/64/94/08/388649408.db2.gz QSTRBQQMDCDGBN-UHFFFAOYSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000063191724 388660216 /nfs/dbraw/zinc/66/02/16/388660216.db2.gz XVRSTOJMUBGRSL-WFASDCNBSA-N 1 0 243.354 2.260 20 30 BEEDRO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966484 388686750 /nfs/dbraw/zinc/68/67/50/388686750.db2.gz AGXBMTZYZMLCEQ-XUJVJEKNSA-N 1 0 243.354 2.349 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](O)C(C)C ZINC000414537713 388664541 /nfs/dbraw/zinc/66/45/41/388664541.db2.gz ZKXZNTPOKDOXDU-GJZGRUSLSA-N 1 0 246.354 2.443 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](O)C(C)C ZINC000414537711 388664586 /nfs/dbraw/zinc/66/45/86/388664586.db2.gz ZKXZNTPOKDOXDU-CABCVRRESA-N 1 0 246.354 2.443 20 30 BEEDRO COCC[C@@H](C)C[NH2+]Cc1cccc(C#N)c1 ZINC000414483062 388664749 /nfs/dbraw/zinc/66/47/49/388664749.db2.gz NSRNHFMDVDKVHA-GFCCVEGCSA-N 1 0 232.327 2.320 20 30 BEEDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000414502067 388664823 /nfs/dbraw/zinc/66/48/23/388664823.db2.gz OOIVVXXQGFTILJ-QMTHXVAHSA-N 1 0 248.326 2.444 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000539054694 388746377 /nfs/dbraw/zinc/74/63/77/388746377.db2.gz MVHALVGWTVDNAO-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000277392796 388746865 /nfs/dbraw/zinc/74/68/65/388746865.db2.gz HBWNHDBMLRRNQD-GFCCVEGCSA-N 1 0 247.342 2.067 20 30 BEEDRO Cc1cc(C[N@@H+](C)CC(C)(C)CO)ccc1C#N ZINC000449428921 388749846 /nfs/dbraw/zinc/74/98/46/388749846.db2.gz UNBXAOWHAAVKQX-UHFFFAOYSA-N 1 0 246.354 2.317 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)[C@@H](C)O ZINC000449543706 388750970 /nfs/dbraw/zinc/75/09/70/388750970.db2.gz ORUWYRXOBPXVSZ-BXUZGUMPSA-N 1 0 232.327 2.116 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccc(C#N)cc1 ZINC000019963514 388753242 /nfs/dbraw/zinc/75/32/42/388753242.db2.gz APZMGIKHASDMBW-BXUZGUMPSA-N 1 0 230.311 2.388 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](CC)CO)c1ccc(C#N)cc1 ZINC000278213713 388753269 /nfs/dbraw/zinc/75/32/69/388753269.db2.gz IGUFNTQZBKLNKF-UONOGXRCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275617 388689140 /nfs/dbraw/zinc/68/91/40/388689140.db2.gz LZHOOPPJRCKJOC-LSDHHAIUSA-N 1 0 243.354 2.336 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000423275756 388689813 /nfs/dbraw/zinc/68/98/13/388689813.db2.gz NIMFLVSYCGJRDJ-DOMZBBRYSA-N 1 0 245.370 2.454 20 30 BEEDRO CC[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275614 388689891 /nfs/dbraw/zinc/68/98/91/388689891.db2.gz LZHOOPPJRCKJOC-CABCVRRESA-N 1 0 243.354 2.336 20 30 BEEDRO C[C@@H](NCC1([NH3+])CCC1)c1cccc(C#N)c1 ZINC000423336624 388690902 /nfs/dbraw/zinc/69/09/02/388690902.db2.gz UUBPKMHRALUAAJ-LLVKDONJSA-N 1 0 229.327 2.090 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc(C#N)c1 ZINC000423358308 388691369 /nfs/dbraw/zinc/69/13/69/388691369.db2.gz JICDPUIJRGUCNU-SLEUVZQESA-N 1 0 243.354 2.207 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1ccc(C#N)cc1 ZINC000423354644 388691384 /nfs/dbraw/zinc/69/13/84/388691384.db2.gz DDNXRTLKOBXOGG-SLEUVZQESA-N 1 0 243.354 2.207 20 30 BEEDRO CC[C@H](NCC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423335808 388691866 /nfs/dbraw/zinc/69/18/66/388691866.db2.gz UGKJMFVMQDHMQO-AWEZNQCLSA-N 1 0 243.354 2.480 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000423374681 388692451 /nfs/dbraw/zinc/69/24/51/388692451.db2.gz HZGNQSDTFSXATO-GHMZBOCLSA-N 1 0 249.333 2.346 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)o1 ZINC000424197318 388695025 /nfs/dbraw/zinc/69/50/25/388695025.db2.gz OBOQCVBYPHYUFE-QWHCGFSZSA-N 1 0 216.284 2.429 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000527803017 388700439 /nfs/dbraw/zinc/70/04/39/388700439.db2.gz CGXDGEQAGCPDQQ-QISWUMQESA-N 1 0 234.299 2.053 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000527803863 388701097 /nfs/dbraw/zinc/70/10/97/388701097.db2.gz KZFHHMGBEVNHMR-ZAZJYDDPSA-N 1 0 244.338 2.460 20 30 BEEDRO CCCN(CC)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248996912 388703126 /nfs/dbraw/zinc/70/31/26/388703126.db2.gz PEEOTMZFTIAIFQ-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1ccccc1 ZINC000065959532 388706852 /nfs/dbraw/zinc/70/68/52/388706852.db2.gz YOZZQFUCTHJYSI-UHFFFAOYSA-N 1 0 219.328 2.364 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001172493886 974842165 /nfs/dbraw/zinc/84/21/65/974842165.db2.gz OXRNMINCUVUWGQ-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](OCCOC)C1 ZINC000193571822 388709432 /nfs/dbraw/zinc/70/94/32/388709432.db2.gz AUEMVWGJEMGLHX-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO Cc1nsc(N[C@@H]2CC[NH2+]C23CCC3)c1C#N ZINC000530178234 388713132 /nfs/dbraw/zinc/71/31/32/388713132.db2.gz HSHIKZUOMYEABH-SNVBAGLBSA-N 1 0 248.355 2.020 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000081063584 388717546 /nfs/dbraw/zinc/71/75/46/388717546.db2.gz YBELYOBGXLMBDF-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)[C@H]1CCCC[C@H]1C ZINC000249375420 388718525 /nfs/dbraw/zinc/71/85/25/388718525.db2.gz NZLLJCVCVSIZCV-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000533080663 388723558 /nfs/dbraw/zinc/72/35/58/388723558.db2.gz JNHHCHMVEKHLPJ-TZMCWYRMSA-N 1 0 244.338 2.151 20 30 BEEDRO CCC[C@]1(CO)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000377838841 388726252 /nfs/dbraw/zinc/72/62/52/388726252.db2.gz CSJJOOHEONNAJX-AWEZNQCLSA-N 1 0 248.326 2.136 20 30 BEEDRO Cc1c(C[N@H+](C)CCC(C)(C)C#N)cnn1C ZINC000553896809 388793194 /nfs/dbraw/zinc/79/31/94/388793194.db2.gz YHSAVTKVFDAXPJ-UHFFFAOYSA-N 1 0 234.347 2.100 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000229883250 388802716 /nfs/dbraw/zinc/80/27/16/388802716.db2.gz SXRDIFKWDFMOEB-YPMHNXCESA-N 1 0 217.312 2.325 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000229896526 388802829 /nfs/dbraw/zinc/80/28/29/388802829.db2.gz ZKLFKOSWFNFKCS-FRRDWIJNSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000229881028 388803380 /nfs/dbraw/zinc/80/33/80/388803380.db2.gz BUGYFVOHQGRVRM-GFCCVEGCSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000229888618 388803686 /nfs/dbraw/zinc/80/36/86/388803686.db2.gz YJPAYNZEXLPTKR-LBPRGKRZSA-N 1 0 233.359 2.219 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000229891269 388804083 /nfs/dbraw/zinc/80/40/83/388804083.db2.gz IWINLCBMQWUBEV-LBPRGKRZSA-N 1 0 219.332 2.140 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000229969833 388808180 /nfs/dbraw/zinc/80/81/80/388808180.db2.gz AYUFBLQDAGCAQU-LLVKDONJSA-N 1 0 247.729 2.489 20 30 BEEDRO CC[C@H]([NH2+]CCCCO)c1ccc(C#N)cc1 ZINC000279464013 388764920 /nfs/dbraw/zinc/76/49/20/388764920.db2.gz JHKGIKUUSBHLQM-AWEZNQCLSA-N 1 0 232.327 2.371 20 30 BEEDRO C[N@H+](CCCCCO)Cc1ccc(C#N)s1 ZINC000279461401 388766375 /nfs/dbraw/zinc/76/63/75/388766375.db2.gz RCLIVQHZWFFILO-UHFFFAOYSA-N 1 0 238.356 2.214 20 30 BEEDRO C[NH+](C)C1(CNc2ccc(C#N)nc2)CCCC1 ZINC000125289787 388779252 /nfs/dbraw/zinc/77/92/52/388779252.db2.gz WFQXJBMBAMYHLX-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C#CC[N@@H+](C)C[C@H]1CCCC12CCOCC2 ZINC001645493218 1172674840 /nfs/dbraw/zinc/67/48/40/1172674840.db2.gz JKXAOPLPOOIEDE-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC1CCC1 ZINC000648745317 388785519 /nfs/dbraw/zinc/78/55/19/388785519.db2.gz JELZAAJBNIUODQ-UHTWSYAYSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000229320993 388785711 /nfs/dbraw/zinc/78/57/11/388785711.db2.gz CPHSNOXYAQIFSL-MNOVXSKESA-N 1 0 205.301 2.487 20 30 BEEDRO N#CCC[C@H](C#N)CNCc1ccc(C#N)cc1 ZINC000554552451 388820597 /nfs/dbraw/zinc/82/05/97/388820597.db2.gz YZCHTHRFRQKUQL-CQSZACIVSA-N 1 0 238.294 2.091 20 30 BEEDRO COC[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000126366958 388824386 /nfs/dbraw/zinc/82/43/86/388824386.db2.gz IYUHRWUVHIZQNR-AWEZNQCLSA-N 1 0 230.311 2.073 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)C(C)(C)C ZINC000283650737 388824715 /nfs/dbraw/zinc/82/47/15/388824715.db2.gz BFHZNRSVAWIORH-AWEZNQCLSA-N 1 0 246.354 2.397 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000334831611 388826403 /nfs/dbraw/zinc/82/64/03/388826403.db2.gz IKEOONBXCHVVQX-ZJUUUORDSA-N 1 0 204.273 2.382 20 30 BEEDRO CCC[C@@]1([NH2+]Cc2ccc(C#N)o2)CCOC1 ZINC000285493225 388835517 /nfs/dbraw/zinc/83/55/17/388835517.db2.gz MFZROJSWYAWKDX-CYBMUJFWSA-N 1 0 234.299 2.200 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000556195454 388870587 /nfs/dbraw/zinc/87/05/87/388870587.db2.gz CCOQCXCCPKZEHH-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000564776241 388887283 /nfs/dbraw/zinc/88/72/83/388887283.db2.gz UMJNXTLSNPWCLJ-ZDUSSCGKSA-N 1 0 234.347 2.271 20 30 BEEDRO CC(C)O[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000565419128 388943145 /nfs/dbraw/zinc/94/31/45/388943145.db2.gz IXPZOKPWGQJAOX-GFCCVEGCSA-N 1 0 242.388 2.133 20 30 BEEDRO N#CCC1(C[NH2+]C[C@H](O)CC2CCCC2)CC1 ZINC000566123833 388989424 /nfs/dbraw/zinc/98/94/24/388989424.db2.gz FMOJFSMIZSPYTE-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCCCC[N@H+]1CCCN(CCC)C(=O)C1 ZINC000565814762 388970692 /nfs/dbraw/zinc/97/06/92/388970692.db2.gz KVTLAMUDASDLMQ-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCCCC[NH2+]Cc1c(C)nn(C)c1C ZINC000274575712 389046042 /nfs/dbraw/zinc/04/60/42/389046042.db2.gz JSQGNRFHRXKIIW-UHFFFAOYSA-N 1 0 221.348 2.483 20 30 BEEDRO N#Cc1c(Cl)cccc1N1CCC[C@H]([NH3+])C1 ZINC000052906171 132362694 /nfs/dbraw/zinc/36/26/94/132362694.db2.gz FXNPYVHRKZKMEC-VIFPVBQESA-N 1 0 235.718 2.139 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000377618549 533233838 /nfs/dbraw/zinc/23/38/38/533233838.db2.gz BSMIIFNXABGBBA-SNVBAGLBSA-N 1 0 245.351 2.260 20 30 BEEDRO C#C[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000377701959 533234097 /nfs/dbraw/zinc/23/40/97/533234097.db2.gz OFWXJKULGSNZMH-CYBMUJFWSA-N 1 0 234.387 2.395 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262319010 533236444 /nfs/dbraw/zinc/23/64/44/533236444.db2.gz VFBHPHYLFGLDLG-VIFPVBQESA-N 1 0 237.253 2.103 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)cc1)C(C)C ZINC000289361748 533267178 /nfs/dbraw/zinc/26/71/78/533267178.db2.gz KLUIFOUIPHOHIA-CQSZACIVSA-N 1 0 217.312 2.443 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC1CCCCCC1)C(C)C ZINC000262222194 533277389 /nfs/dbraw/zinc/27/73/89/533277389.db2.gz VMODEOUHGLXVAW-ZDUSSCGKSA-N 1 0 235.375 2.271 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000262534724 533299107 /nfs/dbraw/zinc/29/91/07/533299107.db2.gz PYJMGVWDLWANJC-GFCCVEGCSA-N 1 0 229.327 2.442 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CCC(C)CC1)C(C)(C)C ZINC000262257706 533313395 /nfs/dbraw/zinc/31/33/95/533313395.db2.gz FMSVKOVYTZAMOQ-LBPRGKRZSA-N 1 0 235.375 2.291 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](CC)OC)cc1 ZINC000290970792 533341697 /nfs/dbraw/zinc/34/16/97/533341697.db2.gz SLHRYBBLLKBITE-CQSZACIVSA-N 1 0 217.312 2.183 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(N(C)C)CCC2)cc1 ZINC000289898941 533342124 /nfs/dbraw/zinc/34/21/24/533342124.db2.gz XKBISYDDAMNRDM-UHFFFAOYSA-N 1 0 242.366 2.242 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000367317626 533342726 /nfs/dbraw/zinc/34/27/26/533342726.db2.gz MAUODLVHUNOSJS-CVEARBPZSA-N 1 0 241.334 2.325 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000290407654 533342897 /nfs/dbraw/zinc/34/28/97/533342897.db2.gz PYRPZVZXMCBQAR-SWLSCSKDSA-N 1 0 229.323 2.325 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N(C)Cc1ccccc1 ZINC000181275826 533493887 /nfs/dbraw/zinc/49/38/87/533493887.db2.gz ONSJYMVQCSEOAZ-UHFFFAOYSA-N 1 0 246.354 2.153 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000181271898 533494112 /nfs/dbraw/zinc/49/41/12/533494112.db2.gz FOHLPIVFUUGZPV-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)NCCC(C)(C)C ZINC000358923383 533505177 /nfs/dbraw/zinc/50/51/77/533505177.db2.gz UIZNTHDFPLDWPV-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000342011917 533535088 /nfs/dbraw/zinc/53/50/88/533535088.db2.gz NHDZMNFBJQTWQA-YNEHKIRRSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000342011916 533535816 /nfs/dbraw/zinc/53/58/16/533535816.db2.gz NHDZMNFBJQTWQA-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000094342807 132238889 /nfs/dbraw/zinc/23/88/89/132238889.db2.gz OXHOCDPHYKYVDL-ZANVPECISA-N 1 0 249.745 2.385 20 30 BEEDRO N#Cc1ccc(Cl)cc1N1CCC[C@H]([NH3+])C1 ZINC000062785803 132241240 /nfs/dbraw/zinc/24/12/40/132241240.db2.gz IOYNFODTMXZVKL-NSHDSACASA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C#N)cc1 ZINC000336520729 132248219 /nfs/dbraw/zinc/24/82/19/132248219.db2.gz JYLGGJJHJCIYDP-NWDGAFQWSA-N 1 0 229.327 2.087 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000078617579 132309843 /nfs/dbraw/zinc/30/98/43/132309843.db2.gz CNDJRONMHJZFAX-LBPRGKRZSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C#N)c(Cl)c1 ZINC000034575212 132336801 /nfs/dbraw/zinc/33/68/01/132336801.db2.gz YCQNSAKOFYYABG-VHSXEESVSA-N 1 0 249.745 2.398 20 30 BEEDRO N#Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000042338517 132350839 /nfs/dbraw/zinc/35/08/39/132350839.db2.gz NNOWYNAKNCRUNG-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000057838869 132366873 /nfs/dbraw/zinc/36/68/73/132366873.db2.gz DHTFXKCOLCULTF-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)[NH2+]1 ZINC000070078799 132391084 /nfs/dbraw/zinc/39/10/84/132391084.db2.gz BRNYWFLTUIWMOS-AOOOYVTPSA-N 1 0 249.745 2.398 20 30 BEEDRO C[NH2+]CC1CCN(c2ccc(F)cc2C#N)CC1 ZINC000104242728 132435379 /nfs/dbraw/zinc/43/53/79/132435379.db2.gz ABSHKBPUTIBUBH-UHFFFAOYSA-N 1 0 247.317 2.133 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1sc(C)nc1C ZINC000186712029 133444502 /nfs/dbraw/zinc/44/45/02/133444502.db2.gz VNGDLPLDALDFCN-KOLCDFICSA-N 1 0 240.372 2.348 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1nccnc1C ZINC000188174194 133450497 /nfs/dbraw/zinc/45/04/97/133450497.db2.gz LRHUALUNPOPAQZ-NSHDSACASA-N 1 0 237.372 2.355 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000082945579 133510955 /nfs/dbraw/zinc/51/09/55/133510955.db2.gz UPMDNXXFHWJTNL-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000082945581 133511101 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C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000171410295 134258358 /nfs/dbraw/zinc/25/83/58/134258358.db2.gz XSTHQVHGHUCGJV-QWHCGFSZSA-N 1 0 247.317 2.009 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@@H](COC)C1 ZINC000172886052 134270806 /nfs/dbraw/zinc/27/08/06/134270806.db2.gz GOMCUFZETYDWMQ-CYBMUJFWSA-N 1 0 229.364 2.304 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000177184617 134296195 /nfs/dbraw/zinc/29/61/95/134296195.db2.gz BGRVAHIYXXYALS-LBPRGKRZSA-N 1 0 225.295 2.156 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000179120483 134317491 /nfs/dbraw/zinc/31/74/91/134317491.db2.gz JMBMMPSEKQHMJI-UPJWGTAASA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@]1([NH2+]Cc2cc(C#N)cs2)CCCOC1 ZINC000221366465 134321596 /nfs/dbraw/zinc/32/15/96/134321596.db2.gz OPCKQJWFKLVWRL-LBPRGKRZSA-N 1 0 236.340 2.278 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)s1 ZINC000180138311 134327813 /nfs/dbraw/zinc/32/78/13/134327813.db2.gz GITSGTDNUDELNC-ZDUSSCGKSA-N 1 0 248.351 2.232 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000181311942 134335333 /nfs/dbraw/zinc/33/53/33/134335333.db2.gz IJMZEGYBXYOEGH-ZDUSSCGKSA-N 1 0 246.354 2.199 20 30 BEEDRO Cc1nccn1-c1ccc([C@@H](C)NCC#N)cc1 ZINC000183156988 134348873 /nfs/dbraw/zinc/34/88/73/134348873.db2.gz IGDVHFQEDXZHKR-LLVKDONJSA-N 1 0 240.310 2.355 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)C1CCOCC1 ZINC000225446131 134353505 /nfs/dbraw/zinc/35/35/05/134353505.db2.gz OMSXFLMFQUHIFF-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(SC)cc1 ZINC000184263188 134361077 /nfs/dbraw/zinc/36/10/77/134361077.db2.gz XXAGTVCSRVNKRF-LBPRGKRZSA-N 1 0 237.368 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000185058332 134371244 /nfs/dbraw/zinc/37/12/44/134371244.db2.gz NSIGXGACVKFZMB-UHFFFAOYSA-N 1 0 246.314 2.083 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1F)[C@H]1CCOC1 ZINC000227016886 134373560 /nfs/dbraw/zinc/37/35/60/134373560.db2.gz YSLUKZVQHKRZOT-GWCFXTLKSA-N 1 0 248.301 2.212 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)CCCCC#N ZINC000185331783 134377042 /nfs/dbraw/zinc/37/70/42/134377042.db2.gz ILFQQNOZGQBUIP-GFCCVEGCSA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)[C@H]1COc2ccccc21 ZINC000185588081 134382041 /nfs/dbraw/zinc/38/20/41/134382041.db2.gz KGICTWFSHBRNLF-DGCLKSJQSA-N 1 0 230.311 2.444 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000185599460 134382386 /nfs/dbraw/zinc/38/23/86/134382386.db2.gz CFYDZZLZKLRCIJ-JQWIXIFHSA-N 1 0 203.285 2.327 20 30 BEEDRO C[C@H]1C[N@H+](C)CCN1c1ccc(C#N)c(Cl)c1 ZINC000227537923 134382971 /nfs/dbraw/zinc/38/29/71/134382971.db2.gz VGEKXLXLZHOCCL-JTQLQIEISA-N 1 0 249.745 2.352 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000122544303 134384954 /nfs/dbraw/zinc/38/49/54/134384954.db2.gz MLAWROJQWLFVPD-UHFFFAOYSA-N 1 0 235.283 2.090 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1(C)C ZINC000227830925 134390003 /nfs/dbraw/zinc/39/00/03/134390003.db2.gz TWUIOXVTSFJALY-UONOGXRCSA-N 1 0 244.338 2.461 20 30 BEEDRO N#Cc1ccc(NCCCC[NH3+])cc1Cl ZINC000061845586 134393361 /nfs/dbraw/zinc/39/33/61/134393361.db2.gz PGGKQMXPQVPQSJ-UHFFFAOYSA-N 1 0 223.707 2.362 20 30 BEEDRO COCCC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000185860208 134397946 /nfs/dbraw/zinc/39/79/46/134397946.db2.gz KKDAPJZWXWIAKW-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@]1([NH2+][C@@H]2CCC[C@H](C#N)C2)CCCOC1 ZINC000309400463 134399495 /nfs/dbraw/zinc/39/94/95/134399495.db2.gz HHGDEVBGLYWZKA-XQQFMLRXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)NC)C(C)C ZINC000309403830 134399727 /nfs/dbraw/zinc/39/97/27/134399727.db2.gz ANPVTNOORPLJDA-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO CSCCCNC(=[NH2+])Nc1ccccc1 ZINC000069015432 134399844 /nfs/dbraw/zinc/39/98/44/134399844.db2.gz VHYKGMRESABTIY-UHFFFAOYSA-N 1 0 223.345 2.166 20 30 BEEDRO CNC(=[NH2+])NC[C@H]1CCC(C)(C)c2ccccc21 ZINC000093882580 134438927 /nfs/dbraw/zinc/43/89/27/134438927.db2.gz PPPOWBKBHZASNT-LLVKDONJSA-N 1 0 245.370 2.376 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCCO1 ZINC000229672431 134464733 /nfs/dbraw/zinc/46/47/33/134464733.db2.gz HNJYKPBRQFPDQY-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCCCNC(NCc1ccco1)=[NH+]C ZINC000103337741 134480698 /nfs/dbraw/zinc/48/06/98/134480698.db2.gz ZDLKKIHXENAKJX-UHFFFAOYSA-N 1 0 223.320 2.135 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000104174102 134484849 /nfs/dbraw/zinc/48/48/49/134484849.db2.gz FOHAWJZLWDRBTM-JQWIXIFHSA-N 1 0 217.316 2.438 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@@H]1CC=CCC1 ZINC000104177395 134484853 /nfs/dbraw/zinc/48/48/53/134484853.db2.gz BFHYLSHPPYEROB-LLVKDONJSA-N 1 0 221.348 2.047 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000119820973 134507759 /nfs/dbraw/zinc/50/77/59/134507759.db2.gz BEAYHIZUHFVTPF-STQMWFEESA-N 1 0 209.333 2.500 20 30 BEEDRO CCN(CCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000230713454 134534034 /nfs/dbraw/zinc/53/40/34/134534034.db2.gz LKDOZVOENQIMBH-UHFFFAOYSA-N 1 0 249.333 2.475 20 30 BEEDRO CC#CCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000189217525 134541375 /nfs/dbraw/zinc/54/13/75/134541375.db2.gz VEITYIOYAYOWLD-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO CSCCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189598118 134548335 /nfs/dbraw/zinc/54/83/35/134548335.db2.gz OPGQCQUSSKMCAY-UHFFFAOYSA-N 1 0 237.372 2.130 20 30 BEEDRO Cn1cc(C[NH2+]C[C@H]2CCCCS2)cc1C#N ZINC000232315576 134551112 /nfs/dbraw/zinc/55/11/12/134551112.db2.gz NYQDNWKAUIDKJG-CYBMUJFWSA-N 1 0 249.383 2.272 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234835757 134584882 /nfs/dbraw/zinc/58/48/82/134584882.db2.gz PDTUTWJAQZMUHV-UHFFFAOYSA-N 1 0 228.295 2.070 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)CC(C)(C)O ZINC000086273720 134595354 /nfs/dbraw/zinc/59/53/54/134595354.db2.gz WAWSFBVSEGYTRQ-UHFFFAOYSA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310030656 134599870 /nfs/dbraw/zinc/59/98/70/134599870.db2.gz QZRFIBHIERXXDP-WUHRBBMRSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCOC1 ZINC000336781890 134605123 /nfs/dbraw/zinc/60/51/23/134605123.db2.gz WAGHLYSFMSFGHG-JHJVBQTASA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1SCC ZINC000339182663 134606133 /nfs/dbraw/zinc/60/61/33/134606133.db2.gz ABKXGTUHEPTJTH-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCOCC[NH2+][C@H](CCOC)C(C)(C)C ZINC000339175170 134606389 /nfs/dbraw/zinc/60/63/89/134606389.db2.gz YSMXSTQSHIDZGZ-GFCCVEGCSA-N 1 0 229.364 2.230 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)C1CC1 ZINC000130613272 134621174 /nfs/dbraw/zinc/62/11/74/134621174.db2.gz YRSFBPWQCHNKHS-DETPVDSQSA-N 1 0 243.416 2.478 20 30 BEEDRO CCCNC(=[NH2+])NCC1(Cc2ccccc2)CC1 ZINC000151418405 134806351 /nfs/dbraw/zinc/80/63/51/134806351.db2.gz HOMBGOPTYGKUGM-UHFFFAOYSA-N 1 0 245.370 2.324 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)C1CCSCC1 ZINC000336656647 134890359 /nfs/dbraw/zinc/89/03/59/134890359.db2.gz ORAHAHKVHCGXER-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc2occc2c1 ZINC000336664959 134893855 /nfs/dbraw/zinc/89/38/55/134893855.db2.gz DVGYWYQFUQQBRJ-GFCCVEGCSA-N 1 0 217.268 2.069 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336669592 134895513 /nfs/dbraw/zinc/89/55/13/134895513.db2.gz MUOJGIXUWXMXGT-SDDRHHMPSA-N 1 0 224.348 2.065 20 30 BEEDRO CO[C@H](C)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000182433888 134920508 /nfs/dbraw/zinc/92/05/08/134920508.db2.gz AWDWKBKTXOXDEX-VXGBXAGGSA-N 1 0 248.326 2.274 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]CCCC#N)C1(C)C ZINC000336751954 134931608 /nfs/dbraw/zinc/93/16/08/134931608.db2.gz FRWZWDDNGGWKMV-ZYHUDNBSSA-N 1 0 210.321 2.083 20 30 BEEDRO COC[C@H](CC(C)C)[NH2+]CC(C)(C)C#N ZINC000336752285 134932228 /nfs/dbraw/zinc/93/22/28/134932228.db2.gz GAHGKUHXACDPDV-NSHDSACASA-N 1 0 212.337 2.187 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185773367 134932934 /nfs/dbraw/zinc/93/29/34/134932934.db2.gz VBWYKETWFPILPP-JSGCOSHPSA-N 1 0 246.358 2.323 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1([S@@](C)=O)CCC1 ZINC000336771381 134963656 /nfs/dbraw/zinc/96/36/56/134963656.db2.gz XHLFRYULQJFFBI-IAQYHMDHSA-N 1 0 229.389 2.232 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCCC#N)C12CCC2 ZINC000336777052 134966313 /nfs/dbraw/zinc/96/63/13/134966313.db2.gz HKSDCMGMPATIFP-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)C2CCCCC2)C1=O ZINC000337137059 135002189 /nfs/dbraw/zinc/00/21/89/135002189.db2.gz PCCLOARYTLIGEU-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](CC)[C@H](C)C(C)C)C1=O ZINC000337147113 135002605 /nfs/dbraw/zinc/00/26/05/135002605.db2.gz YVOQVDXCHPVZDO-OLZOCXBDSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCN1CC[C@H]([N@H+]([C@H](C)C2CC2)C2CC2)C1=O ZINC000337145237 135002653 /nfs/dbraw/zinc/00/26/53/135002653.db2.gz XHNFGSRNQCROQB-RISCZKNCSA-N 1 0 248.370 2.036 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CC)C(C)(C)C)C1=O ZINC000337179588 135004028 /nfs/dbraw/zinc/00/40/28/135004028.db2.gz LKZVGDRFFMFBNL-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](CC)C[C@H](C)CC)C1=O ZINC000337200456 135005754 /nfs/dbraw/zinc/00/57/54/135005754.db2.gz ZSAZZEGQAQRBGB-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN1CC[C@H]([NH2+]C(CC)(CC)CC)C1=O ZINC000337188204 135005807 /nfs/dbraw/zinc/00/58/07/135005807.db2.gz QPWWMRAHFIJAIT-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCC[C@@H]2OC(F)F)CC1 ZINC000337436954 135017204 /nfs/dbraw/zinc/01/72/04/135017204.db2.gz XACMYRKRJOYLAU-UWVGGRQHSA-N 1 0 244.285 2.430 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1C(=O)OCC ZINC000248632214 135017398 /nfs/dbraw/zinc/01/73/98/135017398.db2.gz PJBLABROFQUVCU-NEPJUHHUSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000248694083 135019657 /nfs/dbraw/zinc/01/96/57/135019657.db2.gz YILFDYPMCUYZKE-LOWVWBTDSA-N 1 0 235.327 2.430 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000248838085 135022592 /nfs/dbraw/zinc/02/25/92/135022592.db2.gz NHQHCLHVXSGTRO-RBSFLKMASA-N 1 0 249.402 2.390 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000112700914 135027947 /nfs/dbraw/zinc/02/79/47/135027947.db2.gz KUZFEFJNMJTSNW-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCN(CCC[NH+](CC)CC)C1CC1 ZINC000338282634 135031555 /nfs/dbraw/zinc/03/15/55/135031555.db2.gz HHXMWPFOHXFXTD-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO CO[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@H]1C ZINC000249117756 135034602 /nfs/dbraw/zinc/03/46/02/135034602.db2.gz BKNVQSWXBJVCLH-ZWNOBZJWSA-N 1 0 234.299 2.008 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000338353541 135034703 /nfs/dbraw/zinc/03/47/03/135034703.db2.gz WQUGKRUYFJWKHL-LBPRGKRZSA-N 1 0 246.358 2.035 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249525742 135040592 /nfs/dbraw/zinc/04/05/92/135040592.db2.gz SWMXGUBTCSUHKT-VXGBXAGGSA-N 1 0 205.305 2.162 20 30 BEEDRO C=CCC[N@@H+](C)C(C)(C)CC(=O)OCC ZINC000338572583 135041384 /nfs/dbraw/zinc/04/13/84/135041384.db2.gz WJGSCUZIRYPAAV-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000338632758 135042520 /nfs/dbraw/zinc/04/25/20/135042520.db2.gz MLMBOXNUQZZFPH-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000235175674 135045434 /nfs/dbraw/zinc/04/54/34/135045434.db2.gz UYBYXUXMUATJIC-QMMMGPOBSA-N 1 0 245.248 2.327 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000338895879 135046395 /nfs/dbraw/zinc/04/63/95/135046395.db2.gz UJGOAMLEFNLETK-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000338883393 135047397 /nfs/dbraw/zinc/04/73/97/135047397.db2.gz MKNYOPWAYACOEI-UHFFFAOYSA-N 1 0 223.291 2.460 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000076756927 135048202 /nfs/dbraw/zinc/04/82/02/135048202.db2.gz VHHLZFHAVAOIAE-AWEZNQCLSA-N 1 0 229.327 2.477 20 30 BEEDRO C=CCOCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000339003637 135050856 /nfs/dbraw/zinc/05/08/56/135050856.db2.gz KVKKGKIBYNZWAH-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCOCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000339003638 135051018 /nfs/dbraw/zinc/05/10/18/135051018.db2.gz KVKKGKIBYNZWAH-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@@H]21 ZINC000339020833 135052673 /nfs/dbraw/zinc/05/26/73/135052673.db2.gz IWNIZYDMVDJESE-YJNKXOJESA-N 1 0 247.386 2.095 20 30 BEEDRO C[N@H+](CCc1ccccn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339054984 135054476 /nfs/dbraw/zinc/05/44/76/135054476.db2.gz YLLIXPHYVUUPKS-TZMCWYRMSA-N 1 0 229.327 2.248 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3CC3)C2)C1 ZINC000339060446 135055569 /nfs/dbraw/zinc/05/55/69/135055569.db2.gz XCEUCMNYPIWMFP-WXHSDQCUSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CCOCC[NH2+]C1(c2ccc(OC)cc2)CC1 ZINC000339068428 135055651 /nfs/dbraw/zinc/05/56/51/135055651.db2.gz PYGABTATQNFPON-UHFFFAOYSA-N 1 0 247.338 2.477 20 30 BEEDRO C=CCOCC[NH2+][C@H](CO)c1ccc(CC)cc1 ZINC000339080848 135056787 /nfs/dbraw/zinc/05/67/87/135056787.db2.gz POFJXZNNFASPGA-OAHLLOKOSA-N 1 0 249.354 2.075 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339077972 135056820 /nfs/dbraw/zinc/05/68/20/135056820.db2.gz BPWXNTIJFJYPCR-UPJWGTAASA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@H]1C[N@H+](CCOCCC#N)CC(C)(C)C1 ZINC000339081790 135056990 /nfs/dbraw/zinc/05/69/90/135056990.db2.gz BBURPVHZEYTYCP-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)Cc1ccc(F)cc1 ZINC000339078195 135057432 /nfs/dbraw/zinc/05/74/32/135057432.db2.gz KYAOWBDALXJJFE-CQSZACIVSA-N 1 0 237.318 2.237 20 30 BEEDRO C[N@H+](CCOCCC#N)C[C@@H]1CC=CCC1 ZINC000339083401 135057557 /nfs/dbraw/zinc/05/75/57/135057557.db2.gz IOENLPVDDMOLPD-CYBMUJFWSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccncc1CC ZINC000339080626 135057572 /nfs/dbraw/zinc/05/75/72/135057572.db2.gz FCKFPNHEGJLVIL-LBPRGKRZSA-N 1 0 234.343 2.497 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000339089832 135058821 /nfs/dbraw/zinc/05/88/21/135058821.db2.gz CHANGVBIGGEGSL-UONOGXRCSA-N 1 0 241.375 2.372 20 30 BEEDRO CCCCCCCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000250796012 135058986 /nfs/dbraw/zinc/05/89/86/135058986.db2.gz AULUEMGLVLKNAA-IMRBUKKESA-N 1 0 238.375 2.071 20 30 BEEDRO CC[N@H+](CCOCCC#N)CC1CCC1 ZINC000339144332 135060737 /nfs/dbraw/zinc/06/07/37/135060737.db2.gz FUTRJWAZBPOORG-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCOCC[N@H+]1CCSCC[C@H]1C ZINC000339135407 135061548 /nfs/dbraw/zinc/06/15/48/135061548.db2.gz SVDMDKGRYMFWQT-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO CC(C)(C)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339137195 135061613 /nfs/dbraw/zinc/06/16/13/135061613.db2.gz AEKAGHNXTIQSLW-AGIUHOORSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000339164333 135062346 /nfs/dbraw/zinc/06/23/46/135062346.db2.gz LQRJBCUQNCWCIQ-AWEZNQCLSA-N 1 0 247.338 2.172 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCCO1 ZINC000339157589 135062676 /nfs/dbraw/zinc/06/26/76/135062676.db2.gz LGAYEYOAWSLREO-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@H+](CCOCCC#N)C1CCC(F)(F)CC1 ZINC000339202885 135064726 /nfs/dbraw/zinc/06/47/26/135064726.db2.gz DUJUSMDBRBMMGO-UHFFFAOYSA-N 1 0 246.301 2.426 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000339194784 135065727 /nfs/dbraw/zinc/06/57/27/135065727.db2.gz OJGWYGAHAUTCFG-GMTAPVOTSA-N 1 0 244.285 2.240 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H](CSC)C1 ZINC000339217933 135066902 /nfs/dbraw/zinc/06/69/02/135066902.db2.gz GVMWHXAJCZLUSW-LBPRGKRZSA-N 1 0 229.389 2.264 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCOC[C@H](C3CCC3)C2)C1 ZINC000339217491 135067429 /nfs/dbraw/zinc/06/74/29/135067429.db2.gz YGFABWBIIJXZGS-BPLDGKMQSA-N 1 0 248.370 2.427 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000339329184 135070094 /nfs/dbraw/zinc/07/00/94/135070094.db2.gz NSYFUNCQLJHXHN-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO COc1cccc(C[NH2+]CCCCC#N)c1O ZINC000237260909 135070293 /nfs/dbraw/zinc/07/02/93/135070293.db2.gz LBSXYVPHCURHAB-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339682649 135077467 /nfs/dbraw/zinc/07/74/67/135077467.db2.gz KVGADBPIYIZNDB-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000366467552 135077640 /nfs/dbraw/zinc/07/76/40/135077640.db2.gz AWUXIHINQOOFMB-ZIAGYGMSSA-N 1 0 249.358 2.321 20 30 BEEDRO N#CCC[NH2+]C1CCC(C(F)F)CC1 ZINC000308523787 135078746 /nfs/dbraw/zinc/07/87/46/135078746.db2.gz VTRCICFCDGPJRE-UHFFFAOYSA-N 1 0 202.248 2.314 20 30 BEEDRO C=CCCC[N@@H+](C)C(C)(C)C(=O)OCC ZINC000339788731 135082279 /nfs/dbraw/zinc/08/22/79/135082279.db2.gz USMHXYIWOHWMPH-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000339819425 135083185 /nfs/dbraw/zinc/08/31/85/135083185.db2.gz UUOUGVCLQBYXOE-MCIONIFRSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@H](C)[S@](C)=O ZINC000252813451 135111861 /nfs/dbraw/zinc/11/18/61/135111861.db2.gz RMXWXFUYJAHDQA-MJVIPROJSA-N 1 0 217.378 2.088 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])NC1CCCCCC1 ZINC000262025859 135114330 /nfs/dbraw/zinc/11/43/30/135114330.db2.gz ZHVHNPVMMCAJJT-UHFFFAOYSA-N 1 0 229.755 2.366 20 30 BEEDRO [NH2+]=C(NCC1CC1)Nc1cc(F)ccc1F ZINC000262251867 135117260 /nfs/dbraw/zinc/11/72/60/135117260.db2.gz DOAAMOPAKHFRIR-UHFFFAOYSA-N 1 0 225.242 2.101 20 30 BEEDRO [NH2+]=C(NCc1ccc2sccc2c1)NC1CC1 ZINC000262371068 135117972 /nfs/dbraw/zinc/11/79/72/135117972.db2.gz LTYDJULDPFGEFV-UHFFFAOYSA-N 1 0 245.351 2.468 20 30 BEEDRO C[C@@H]1C[C@@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262301871 135118134 /nfs/dbraw/zinc/11/81/34/135118134.db2.gz QLAWQZMGAMGDHR-HTQZYQBOSA-N 1 0 239.269 2.347 20 30 BEEDRO C[C@@H]1C[C@H]1CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000262301875 135118244 /nfs/dbraw/zinc/11/82/44/135118244.db2.gz QLAWQZMGAMGDHR-SFYZADRCSA-N 1 0 239.269 2.347 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(C)CCCC1 ZINC000262522954 135118891 /nfs/dbraw/zinc/11/88/91/135118891.db2.gz JMHCJJMAAWZULL-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO Cc1ccc(CC[NH+]=C(N(C)C)N(C)C)cc1 ZINC000262523642 135118935 /nfs/dbraw/zinc/11/89/35/135118935.db2.gz JNQQGVIXCWKEMG-UHFFFAOYSA-N 1 0 233.359 2.017 20 30 BEEDRO Cc1ccccc1C(C)(C)CNC1=[NH+]C[C@H](C)N1 ZINC000262634318 135119542 /nfs/dbraw/zinc/11/95/42/135119542.db2.gz GJBQIYHZSPYMJU-LBPRGKRZSA-N 1 0 245.370 2.210 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NCC1(C(F)(F)F)CC1 ZINC000262647377 135120555 /nfs/dbraw/zinc/12/05/55/135120555.db2.gz JLXDGVOZSGAFCU-UHFFFAOYSA-N 1 0 249.280 2.033 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC2(c3ccccc3)CCC2)N1 ZINC000262664410 135120733 /nfs/dbraw/zinc/12/07/33/135120733.db2.gz ODOCSJMEFMCTHC-GFCCVEGCSA-N 1 0 243.354 2.046 20 30 BEEDRO CC#CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000253092103 135121125 /nfs/dbraw/zinc/12/11/25/135121125.db2.gz KKITZNRSTGDPAE-KBPBESRZSA-N 1 0 223.360 2.415 20 30 BEEDRO Cc1cc(C)c(CNC2=[NH+]C[C@@H](C)N2)c(C)c1 ZINC000262673521 135121196 /nfs/dbraw/zinc/12/11/96/135121196.db2.gz SCQSHMAREZJBOL-GFCCVEGCSA-N 1 0 231.343 2.049 20 30 BEEDRO Cc1ccc(SCCNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262674143 135121260 /nfs/dbraw/zinc/12/12/60/135121260.db2.gz SKGLMZSDDPCSKB-LLVKDONJSA-N 1 0 249.383 2.024 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253095792 135121375 /nfs/dbraw/zinc/12/13/75/135121375.db2.gz PLVVXZTXVIYGCL-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO C[C@H]1CCN(c2cccc(F)c2C#N)C[C@H]1C[NH3+] ZINC000253182672 135122953 /nfs/dbraw/zinc/12/29/53/135122953.db2.gz FZUIWLYSPACPKK-WDEREUQCSA-N 1 0 247.317 2.118 20 30 BEEDRO C[NH+]=C(N[C@H](C)c1ccccc1)N[C@H]1C[C@@H]1C ZINC000262950411 135123345 /nfs/dbraw/zinc/12/33/45/135123345.db2.gz BRYJHZLHFDIKML-LOWVWBTDSA-N 1 0 231.343 2.321 20 30 BEEDRO C[NH+]=C(NC[C@@H]1C[C@H]1C)N1CCc2ccccc21 ZINC000263077307 135124333 /nfs/dbraw/zinc/12/43/33/135124333.db2.gz CRFPIQKHMFUXOG-YPMHNXCESA-N 1 0 243.354 2.281 20 30 BEEDRO C[C@H]1C[N@H+](C)CC[C@H]1NCc1ccc(C#N)s1 ZINC000253201720 135124886 /nfs/dbraw/zinc/12/48/86/135124886.db2.gz YFGNXKWVUYFPSP-GXFFZTMASA-N 1 0 249.383 2.050 20 30 BEEDRO C=C(Cl)CNC(NCc1ccoc1)=[NH+]CC ZINC000263168337 135125538 /nfs/dbraw/zinc/12/55/38/135125538.db2.gz QOHBZAVGTBOFPB-UHFFFAOYSA-N 1 0 241.722 2.087 20 30 BEEDRO C[NH+]=C(NCC1CC1)N1CCc2ccccc21 ZINC000263258080 135125814 /nfs/dbraw/zinc/12/58/14/135125814.db2.gz ROOOEVLWFXFTTI-UHFFFAOYSA-N 1 0 229.327 2.035 20 30 BEEDRO C=CCNC(NC[C@@H]1CC=CCC1)=[NH+]CC ZINC000263244859 135125950 /nfs/dbraw/zinc/12/59/50/135125950.db2.gz MMFQQMWWHKLDFL-GFCCVEGCSA-N 1 0 221.348 2.084 20 30 BEEDRO CCOc1ccccc1CNC(=[NH2+])N[C@H](C)CC ZINC000264056722 135130609 /nfs/dbraw/zinc/13/06/09/135130609.db2.gz BFBGKULTEBMVLP-LLVKDONJSA-N 1 0 249.358 2.288 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264069231 135130887 /nfs/dbraw/zinc/13/08/87/135130887.db2.gz FWLWJWWHKYBPEB-UHFFFAOYSA-N 1 0 249.358 2.288 20 30 BEEDRO CNC(NCc1ccc(OCC(C)C)cc1)=[NH+]C ZINC000264067350 135131028 /nfs/dbraw/zinc/13/10/28/135131028.db2.gz BXQHNZHPQVUDRN-UHFFFAOYSA-N 1 0 249.358 2.016 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCc1cccc(F)c1 ZINC000264063585 135131086 /nfs/dbraw/zinc/13/10/86/135131086.db2.gz DLXKSQYCRJHRAO-JTQLQIEISA-N 1 0 237.322 2.071 20 30 BEEDRO CO[C@@H](CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000264059068 135131369 /nfs/dbraw/zinc/13/13/69/135131369.db2.gz CEYVKMHMPGWNFR-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000264074462 135131595 /nfs/dbraw/zinc/13/15/95/135131595.db2.gz FEKMPMJNEUOUJU-WDEREUQCSA-N 1 0 209.337 2.046 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(F)c(C)c1 ZINC000264083296 135131776 /nfs/dbraw/zinc/13/17/76/135131776.db2.gz JBIPMRJABWHLIY-JTQLQIEISA-N 1 0 237.322 2.337 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000264076573 135131780 /nfs/dbraw/zinc/13/17/80/135131780.db2.gz HOACNLJRJQMJJN-DGCLKSJQSA-N 1 0 249.358 2.077 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCc1cccc(C)c1 ZINC000264073086 135131847 /nfs/dbraw/zinc/13/18/47/135131847.db2.gz DUBMCPYNRQTSPY-GFCCVEGCSA-N 1 0 233.359 2.240 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCOC2)c1 ZINC000264084091 135131990 /nfs/dbraw/zinc/13/19/90/135131990.db2.gz IMHLNXAASPEBMV-LBPRGKRZSA-N 1 0 247.342 2.012 20 30 BEEDRO CCNC(=[NH2+])NCCc1c(C)cc(C)cc1C ZINC000264098647 135133145 /nfs/dbraw/zinc/13/31/45/135133145.db2.gz NHFIKDHXQDFDPK-UHFFFAOYSA-N 1 0 233.359 2.079 20 30 BEEDRO Cc1ccc(SCCNC(=[NH2+])NC2CC2)cc1 ZINC000264115300 135133631 /nfs/dbraw/zinc/13/36/31/135133631.db2.gz PQXLPJVGSZVANZ-UHFFFAOYSA-N 1 0 249.383 2.154 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1cccc(COC)c1 ZINC000264123853 135134259 /nfs/dbraw/zinc/13/42/59/135134259.db2.gz VUPPPZKQYNJFDQ-NSHDSACASA-N 1 0 249.358 2.036 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccccc1F ZINC000264124210 135134433 /nfs/dbraw/zinc/13/44/33/135134433.db2.gz RWLPNPSCLBDNIU-SECBINFHSA-N 1 0 223.295 2.029 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H](C)c1ccccc1 ZINC000264125636 135134623 /nfs/dbraw/zinc/13/46/23/135134623.db2.gz SENUVJXPHNCPEF-NEPJUHHUSA-N 1 0 233.359 2.493 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1ccccc1O ZINC000264124177 135134641 /nfs/dbraw/zinc/13/46/41/135134641.db2.gz RVUZWDCFVVAOMW-UHFFFAOYSA-N 1 0 249.358 2.377 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)c1ccc(C)cc1 ZINC000264316349 135138080 /nfs/dbraw/zinc/13/80/80/135138080.db2.gz WIOXCWJFUGASEE-UHFFFAOYSA-N 1 0 233.359 2.197 20 30 BEEDRO CCCNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264312913 135138349 /nfs/dbraw/zinc/13/83/49/135138349.db2.gz VIRYAUVRUZMDHU-UHFFFAOYSA-N 1 0 231.343 2.247 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000259978721 135145980 /nfs/dbraw/zinc/14/59/80/135145980.db2.gz KKRNYCMZBLSNAS-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO N#CCC1CC[NH+](Cc2cncs2)CC1 ZINC000260169369 135147511 /nfs/dbraw/zinc/14/75/11/135147511.db2.gz TVPPJFXMLCRXMD-UHFFFAOYSA-N 1 0 221.329 2.269 20 30 BEEDRO CCNC(=[NH2+])NCc1cc(C(CC)CC)no1 ZINC000267032588 135150948 /nfs/dbraw/zinc/15/09/48/135150948.db2.gz ANUMXKMXHASEIR-UHFFFAOYSA-N 1 0 238.335 2.002 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000267376900 135153449 /nfs/dbraw/zinc/15/34/49/135153449.db2.gz ADNYIUIYBUTJEV-LBPRGKRZSA-N 1 0 233.359 2.413 20 30 BEEDRO C[C@H](CNC(=[NH2+])NC(C)(C)C)Oc1ccccc1 ZINC000267407351 135153901 /nfs/dbraw/zinc/15/39/01/135153901.db2.gz HJWATXSKPPZFRX-LLVKDONJSA-N 1 0 249.358 2.157 20 30 BEEDRO C[C@@H](CNC(=[NH2+])NC(C)(C)C)Oc1ccccc1 ZINC000267407353 135154121 /nfs/dbraw/zinc/15/41/21/135154121.db2.gz HJWATXSKPPZFRX-NSHDSACASA-N 1 0 249.358 2.157 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)c1cccc(F)c1 ZINC000267437766 135154500 /nfs/dbraw/zinc/15/45/00/135154500.db2.gz OGDZBGRZYZICGT-UHFFFAOYSA-N 1 0 249.333 2.194 20 30 BEEDRO CCCNC(=[NH2+])NCCc1cc2ccccc2o1 ZINC000267464572 135154846 /nfs/dbraw/zinc/15/48/46/135154846.db2.gz WAOCDHWOFDMEDJ-UHFFFAOYSA-N 1 0 245.326 2.290 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000267464594 135154894 /nfs/dbraw/zinc/15/48/94/135154894.db2.gz WBFZMCNEHFWSIR-GFCCVEGCSA-N 1 0 232.331 2.283 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCC2(C)COC2)c1 ZINC000267452757 135154928 /nfs/dbraw/zinc/15/49/28/135154928.db2.gz RZUXKCGLGUIUKF-UHFFFAOYSA-N 1 0 247.342 2.067 20 30 BEEDRO CCNC(NCc1ccc(C)cc1OC)=[NH+]CC ZINC000268107468 135158417 /nfs/dbraw/zinc/15/84/17/135158417.db2.gz DDZANTPNCQAXTK-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO CC[C@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000087608484 135159430 /nfs/dbraw/zinc/15/94/30/135159430.db2.gz KYRYISZLPJDSBE-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CCN(CCC)CC[NH+]1CCCCC1 ZINC000353164407 135159793 /nfs/dbraw/zinc/15/97/93/135159793.db2.gz GMQSKTKBVKUVPO-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(C)cc(OC)c1 ZINC000269734482 135167151 /nfs/dbraw/zinc/16/71/51/135167151.db2.gz ZQHSCVBPGPBVMV-LLVKDONJSA-N 1 0 249.358 2.206 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+]([C@H]3CC[C@H](C#N)C3)C2)c1 ZINC000293451798 135180122 /nfs/dbraw/zinc/18/01/22/135180122.db2.gz CPAJKBPSTYXLDO-MELADBBJSA-N 1 0 244.342 2.131 20 30 BEEDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCC#N ZINC000293523939 135180716 /nfs/dbraw/zinc/18/07/16/135180716.db2.gz DIHATAYAKKAEBV-NSHDSACASA-N 1 0 218.300 2.217 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@@H]1c1ccccc1 ZINC000353571519 135189940 /nfs/dbraw/zinc/18/99/40/135189940.db2.gz VNQCYQBIBMRPEX-REBRKWNGSA-N 1 0 231.339 2.315 20 30 BEEDRO C[C@]1(C[NH3+])CCN(c2ccc(Cl)cc2C#N)C1 ZINC000261553250 135192554 /nfs/dbraw/zinc/19/25/54/135192554.db2.gz NQXZNEOFBYXYMY-CYBMUJFWSA-N 1 0 249.745 2.387 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000297709615 135196230 /nfs/dbraw/zinc/19/62/30/135196230.db2.gz QYTRWSINRFPAEN-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO Cc1cnn([C@H]2CC[N@@H+]([C@H](C)CCC#N)C2)c1 ZINC000298052781 135197507 /nfs/dbraw/zinc/19/75/07/135197507.db2.gz FMBAWGXKWMNKTN-OLZOCXBDSA-N 1 0 232.331 2.131 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2cnccc2C)CC1 ZINC000340597859 135198467 /nfs/dbraw/zinc/19/84/67/135198467.db2.gz UBFFZMFGQDKYHF-UHFFFAOYSA-N 1 0 245.370 2.478 20 30 BEEDRO CCOC1(CNC(=[NH2+])NC(C)(C)C)CCCC1 ZINC000261559283 135200072 /nfs/dbraw/zinc/20/00/72/135200072.db2.gz TUFLWPZJGFOXCI-UHFFFAOYSA-N 1 0 241.379 2.039 20 30 BEEDRO CCC1CCC(CNC2=[NH+]CCN2C)CC1 ZINC000261567477 135209871 /nfs/dbraw/zinc/20/98/71/135209871.db2.gz DYDSQGMPOWRCOX-UHFFFAOYSA-N 1 0 223.364 2.094 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000042220667 135219826 /nfs/dbraw/zinc/21/98/26/135219826.db2.gz GJWAXMMNUQBGDM-CHWSQXEVSA-N 1 0 246.354 2.336 20 30 BEEDRO CC#CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000121052746 135220612 /nfs/dbraw/zinc/22/06/12/135220612.db2.gz SMWQCGPYFJKIOW-UHFFFAOYSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000121289082 135222685 /nfs/dbraw/zinc/22/26/85/135222685.db2.gz WDAKRXGATTWPCR-UHFFFAOYSA-N 1 0 244.338 2.084 20 30 BEEDRO C=CC[N@@H+](C)CCc1ccc(OC)cc1 ZINC000121224261 135222697 /nfs/dbraw/zinc/22/26/97/135222697.db2.gz DDMWXDQSXWMPCA-UHFFFAOYSA-N 1 0 205.301 2.356 20 30 BEEDRO C=C(C)CN1CC[N@@H+](CC(=C)C)C[C@H]1C ZINC000121418704 135223666 /nfs/dbraw/zinc/22/36/66/135223666.db2.gz QWWDMBBGZMWAJT-CYBMUJFWSA-N 1 0 208.349 2.145 20 30 BEEDRO C=CC[N@@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000121543916 135223686 /nfs/dbraw/zinc/22/36/86/135223686.db2.gz CECFJYJDXKWADP-UHFFFAOYSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000340734328 135228375 /nfs/dbraw/zinc/22/83/75/135228375.db2.gz CUHODYXPFGNOLY-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000340893661 135231159 /nfs/dbraw/zinc/23/11/59/135231159.db2.gz HGLMUAORMLOGON-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[NH+]=C(NCC(C)C)NC[C@H]1CCCS1 ZINC000261662589 135243731 /nfs/dbraw/zinc/24/37/31/135243731.db2.gz AYQBNRIYQNLUPR-LLVKDONJSA-N 1 0 243.420 2.093 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342075415 135247981 /nfs/dbraw/zinc/24/79/81/135247981.db2.gz XJLVJGCERUKTKB-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc2ccccc2[nH]1 ZINC000261751241 135249847 /nfs/dbraw/zinc/24/98/47/135249847.db2.gz JUDHHVLCFORFHX-SNVBAGLBSA-N 1 0 244.342 2.371 20 30 BEEDRO C=CCCN(CC[NH3+])CCc1ccccc1 ZINC000261761203 135250951 /nfs/dbraw/zinc/25/09/51/135250951.db2.gz MZLORISALHWUGA-UHFFFAOYSA-N 1 0 218.344 2.066 20 30 BEEDRO C=C(Cl)CNC(=[NH+]C)N1CC[C@](C)(CC)C1 ZINC000261790627 135253648 /nfs/dbraw/zinc/25/36/48/135253648.db2.gz QHZRYQYLKOXTBJ-LBPRGKRZSA-N 1 0 243.782 2.436 20 30 BEEDRO CN(C(=[NH2+])NC[C@@H]1CCCC(F)(F)C1)C1CC1 ZINC000261911716 135262733 /nfs/dbraw/zinc/26/27/33/135262733.db2.gz YDXPFRUTXFVGJK-SECBINFHSA-N 1 0 245.317 2.221 20 30 BEEDRO C[C@@H]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000261979342 135268702 /nfs/dbraw/zinc/26/87/02/135268702.db2.gz HLOZCAWZEBOJEB-NEPJUHHUSA-N 1 0 225.380 2.292 20 30 BEEDRO CC1(C)C[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000261978301 135268719 /nfs/dbraw/zinc/26/87/19/135268719.db2.gz GWKDBXUXPMDBSY-NSHDSACASA-N 1 0 223.364 2.412 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC1CCCCCC1 ZINC000261975357 135268820 /nfs/dbraw/zinc/26/88/20/135268820.db2.gz FREABCRFVYGYLR-UHFFFAOYSA-N 1 0 223.364 2.414 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CCC(CC)(CC)C1 ZINC000261976606 135269045 /nfs/dbraw/zinc/26/90/45/135269045.db2.gz NUBDOVAFEDBPRX-WYMLVPIESA-N 1 0 225.380 2.436 20 30 BEEDRO C=CCOc1ccccc1CN1C[C@H]([NH3+])[C@@H](C)C1 ZINC000261988096 135269563 /nfs/dbraw/zinc/26/95/63/135269563.db2.gz JZPXYLJACUQCJU-JSGCOSHPSA-N 1 0 246.354 2.030 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000342531144 135280105 /nfs/dbraw/zinc/28/01/05/135280105.db2.gz BEYXTACXPKQXCO-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000262435475 135297240 /nfs/dbraw/zinc/29/72/40/135297240.db2.gz GDPYIBAZWGTEPE-DQHOPXMZSA-N 1 0 245.370 2.098 20 30 BEEDRO CC1CCC(C)(CNC(=[NH2+])NC2CC2)CC1 ZINC000262396975 135298398 /nfs/dbraw/zinc/29/83/98/135298398.db2.gz QKXAIHQXLIOXPT-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@@H]1CCC(F)(F)C1 ZINC000262385360 135298935 /nfs/dbraw/zinc/29/89/35/135298935.db2.gz HPYPIQPBDDFVSL-SNVBAGLBSA-N 1 0 245.317 2.126 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1sccc1C ZINC000262463427 135300882 /nfs/dbraw/zinc/30/08/82/135300882.db2.gz XKTRPPKLTLPQKA-UHFFFAOYSA-N 1 0 237.372 2.079 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262469039 135301019 /nfs/dbraw/zinc/30/10/19/135301019.db2.gz UCQFIGOJUZIYJC-BDAKNGLRSA-N 1 0 233.306 2.125 20 30 BEEDRO C[C@@H]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262471478 135301090 /nfs/dbraw/zinc/30/10/90/135301090.db2.gz OZJMMZJMRCYGEA-PWSUYJOCSA-N 1 0 223.364 2.127 20 30 BEEDRO CSC(C)(C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000262502031 135303359 /nfs/dbraw/zinc/30/33/59/135303359.db2.gz AARVMDSLWKGSHU-JTQLQIEISA-N 1 0 243.420 2.175 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@H]2CC[C@@H]2C)c1 ZINC000262625739 135309587 /nfs/dbraw/zinc/30/95/87/135309587.db2.gz DILOEPUQQGMBTK-CABZTGNLSA-N 1 0 233.315 2.220 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2cc3ccccc3s2)N1 ZINC000262663919 135311722 /nfs/dbraw/zinc/31/17/22/135311722.db2.gz NWUCWBVETUEACR-SECBINFHSA-N 1 0 245.351 2.339 20 30 BEEDRO C=CCOc1cccc(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000262661838 135312289 /nfs/dbraw/zinc/31/22/89/135312289.db2.gz NCVWRUYVJLXNRQ-ZDUSSCGKSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)NC1CCCCCC1 ZINC000342715308 135314193 /nfs/dbraw/zinc/31/41/93/135314193.db2.gz AFJOVNCHDKTODL-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCC2CC(F)(F)C2)C1 ZINC000262696924 135314689 /nfs/dbraw/zinc/31/46/89/135314689.db2.gz IGESNWOFJLJUMA-VIFPVBQESA-N 1 0 245.317 2.078 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000342722691 135314770 /nfs/dbraw/zinc/31/47/70/135314770.db2.gz ANNXBYSROSZQKS-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CCSc1cccc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262715245 135315497 /nfs/dbraw/zinc/31/54/97/135315497.db2.gz RPPITXHKERGITC-SNVBAGLBSA-N 1 0 249.383 2.236 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000342728526 135315697 /nfs/dbraw/zinc/31/56/97/135315697.db2.gz IBCBGWHITPAAOJ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCCC1 ZINC000342735601 135316420 /nfs/dbraw/zinc/31/64/20/135316420.db2.gz ICEQIMDDXHUAKM-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO N#CC1CCC(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000262785782 135318510 /nfs/dbraw/zinc/31/85/10/135318510.db2.gz MKLIBMUGTBEZOE-UHFFFAOYSA-N 1 0 248.374 2.163 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000342767075 135326418 /nfs/dbraw/zinc/32/64/18/135326418.db2.gz VZOFLFGWPOLUEE-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+][C@H]1CC12CC2 ZINC000263024806 135327299 /nfs/dbraw/zinc/32/72/99/135327299.db2.gz FVCUMGLHDDJEQZ-ZDUSSCGKSA-N 1 0 243.354 2.246 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@H](c2ccccc2F)C1)N1CCC1 ZINC000263044762 135328745 /nfs/dbraw/zinc/32/87/45/135328745.db2.gz CTYJVEKNDYMUJJ-XYPYZODXSA-N 1 0 247.317 2.092 20 30 BEEDRO C[C@@H]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@H]1C ZINC000263058341 135329642 /nfs/dbraw/zinc/32/96/42/135329642.db2.gz FGDRCLURXVZQST-WOPDTQHZSA-N 1 0 223.364 2.079 20 30 BEEDRO CN(C)C(=[NH+]CC1(C2CCC2)CCC1)N(C)C ZINC000263063983 135330246 /nfs/dbraw/zinc/33/02/46/135330246.db2.gz FVRSHTXRXYPEDW-UHFFFAOYSA-N 1 0 237.391 2.436 20 30 BEEDRO CN(C(=[NH2+])NC[C@@H]1CCC[C@H]1C1CC1)C1CC1 ZINC000263064905 135330299 /nfs/dbraw/zinc/33/02/99/135330299.db2.gz FZPQYYHHFXDQQW-AAEUAGOBSA-N 1 0 235.375 2.222 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NC[C@@H]2C[C@H]2C2CCC2)C1 ZINC000263083060 135331264 /nfs/dbraw/zinc/33/12/64/135331264.db2.gz SCQLMHGOZBQATF-UBHSHLNASA-N 1 0 249.402 2.469 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2cc(C3CC3)ccc2F)N1 ZINC000263104197 135333632 /nfs/dbraw/zinc/33/36/32/135333632.db2.gz KKANJJOEFTXUSM-VIFPVBQESA-N 1 0 247.317 2.140 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000334277668 135333791 /nfs/dbraw/zinc/33/37/91/135333791.db2.gz OLDZYQMSYBWGNV-ZDUSSCGKSA-N 1 0 227.311 2.469 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC[C@H]2CCc3ccccc32)N1 ZINC000263117352 135333883 /nfs/dbraw/zinc/33/38/83/135333883.db2.gz LPBLRODXTAFFCH-DGCLKSJQSA-N 1 0 243.354 2.044 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1c1ccccc1F)N(C)C ZINC000263122839 135334097 /nfs/dbraw/zinc/33/40/97/135334097.db2.gz MEAVCRFRSBWBCB-WCQYABFASA-N 1 0 249.333 2.161 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263131781 135334960 /nfs/dbraw/zinc/33/49/60/135334960.db2.gz NFHTWARXTLJGLM-GRYCIOLGSA-N 1 0 223.364 2.078 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]1C1CC1)NC1CCCCC1 ZINC000263155085 135336146 /nfs/dbraw/zinc/33/61/46/135336146.db2.gz PWSXIURBROFSNQ-AAEUAGOBSA-N 1 0 235.375 2.270 20 30 BEEDRO CS[C@H](CNC(=[NH2+])NC1CCC1)C(C)(C)C ZINC000263174251 135336844 /nfs/dbraw/zinc/33/68/44/135336844.db2.gz SMFZCIILQITXAE-SNVBAGLBSA-N 1 0 243.420 2.221 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@@H]1CCC1(C)C ZINC000263186102 135337636 /nfs/dbraw/zinc/33/76/36/135337636.db2.gz WUVZIYAJEPDOGT-LLVKDONJSA-N 1 0 235.331 2.133 20 30 BEEDRO [NH2+]=C(NCC1CC(c2ccccc2)C1)N1CCC1 ZINC000263206897 135339196 /nfs/dbraw/zinc/33/91/96/135339196.db2.gz YJYYKAZRWZKCBJ-UHFFFAOYSA-N 1 0 243.354 2.201 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)C1CCC1 ZINC000263215443 135340135 /nfs/dbraw/zinc/34/01/35/135340135.db2.gz ZTQYLCAQRFOVRI-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO CC(C)(C)n1cc(C[NH2+]CCCC#N)cn1 ZINC000273066631 135366225 /nfs/dbraw/zinc/36/62/25/135366225.db2.gz NNVXUWHELGLGBW-UHFFFAOYSA-N 1 0 220.320 2.031 20 30 BEEDRO Cc1nnc([C@@H](C)[NH2+]CCCCC#N)s1 ZINC000273608138 135366773 /nfs/dbraw/zinc/36/67/73/135366773.db2.gz MYUMIGONRYWMNC-MRVPVSSYSA-N 1 0 224.333 2.191 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cn[nH]c1 ZINC000278658102 135368307 /nfs/dbraw/zinc/36/83/07/135368307.db2.gz IOATXUPJIITETG-JBLDHEPKSA-N 1 0 218.304 2.143 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000281396715 135369936 /nfs/dbraw/zinc/36/99/36/135369936.db2.gz PIYTUHNBRMIAGM-GFCCVEGCSA-N 1 0 217.316 2.341 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(C=C)c1 ZINC000281368392 135370120 /nfs/dbraw/zinc/37/01/20/135370120.db2.gz NQCYNVCSLIBNRH-GFCCVEGCSA-N 1 0 205.305 2.428 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000281400845 135370339 /nfs/dbraw/zinc/37/03/39/135370339.db2.gz PPRZBJCEIPYKMU-ZDUSSCGKSA-N 1 0 232.327 2.230 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000282782325 135371482 /nfs/dbraw/zinc/37/14/82/135371482.db2.gz PQMKLJHTUXNEIR-ZYHUDNBSSA-N 1 0 223.316 2.484 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000282635797 135371702 /nfs/dbraw/zinc/37/17/02/135371702.db2.gz BFBUPODGKOFWGK-WDEREUQCSA-N 1 0 213.321 2.130 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000282635795 135371723 /nfs/dbraw/zinc/37/17/23/135371723.db2.gz BFBUPODGKOFWGK-QWRGUYRKSA-N 1 0 213.321 2.130 20 30 BEEDRO N#CC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000285886808 135372592 /nfs/dbraw/zinc/37/25/92/135372592.db2.gz FXZBJIJHYYKABW-OAHLLOKOSA-N 1 0 244.338 2.346 20 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C=CC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294069291 135378129 /nfs/dbraw/zinc/37/81/29/135378129.db2.gz KSJHKWASYRJOGM-GARJFASQSA-N 1 0 205.305 2.443 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000293853183 135378418 /nfs/dbraw/zinc/37/84/18/135378418.db2.gz CUBZQRWUDNXPCQ-WDEREUQCSA-N 1 0 237.372 2.398 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1ccccc1F ZINC000295090364 135378612 /nfs/dbraw/zinc/37/86/12/135378612.db2.gz UUYAPYMAJNTFJJ-CYBMUJFWSA-N 1 0 248.345 2.431 20 30 BEEDRO CO[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@H]1C ZINC000299920569 135382164 /nfs/dbraw/zinc/38/21/64/135382164.db2.gz OHJYWFSXPGXXGW-NEPJUHHUSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000336130689 135426253 /nfs/dbraw/zinc/42/62/53/135426253.db2.gz UYFCDZIBAANHCF-YGRLFVJLSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCOC1 ZINC000337217678 135428809 /nfs/dbraw/zinc/42/88/09/135428809.db2.gz JOSAGJCYJOLSQQ-SWLSCSKDSA-N 1 0 244.338 2.267 20 30 BEEDRO C=CC[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000123473542 135460535 /nfs/dbraw/zinc/46/05/35/135460535.db2.gz JEUIQAWCGMBTTP-CYBMUJFWSA-N 1 0 217.312 2.328 20 30 BEEDRO CC[C@H](C#N)SCC[NH+](CC)CC ZINC000084059944 135463422 /nfs/dbraw/zinc/46/34/22/135463422.db2.gz GVBOWYVZYQSAMH-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)C1CC1 ZINC000090515119 135551363 /nfs/dbraw/zinc/55/13/63/135551363.db2.gz INTAAMDQMSLWPG-PVXIVEMSSA-N 1 0 243.416 2.478 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192058339 135557600 /nfs/dbraw/zinc/55/76/00/135557600.db2.gz NEPSLZGAJYYXCT-RYUDHWBXSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cn[nH]c1)C1CC1 ZINC000289846516 135625452 /nfs/dbraw/zinc/62/54/52/135625452.db2.gz QEUBPKVNROWRDV-ZDUSSCGKSA-N 1 0 219.332 2.287 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2ccccc2[C@H]1O ZINC000290213389 135634058 /nfs/dbraw/zinc/63/40/58/135634058.db2.gz HJSYEVZAOCUVPQ-CORIIIEPSA-N 1 0 247.338 2.425 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000295315823 135684151 /nfs/dbraw/zinc/68/41/51/135684151.db2.gz YRKUVFCGMATBBX-AWEZNQCLSA-N 1 0 246.354 2.419 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC#N)C1 ZINC000344606918 135786737 /nfs/dbraw/zinc/78/67/37/135786737.db2.gz VETPXWGVZBYEKZ-MJBXVCDLSA-N 1 0 235.375 2.237 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000335281867 136000305 /nfs/dbraw/zinc/00/03/05/136000305.db2.gz XMGQFWCXOANRTQ-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000347702692 136007592 /nfs/dbraw/zinc/00/75/92/136007592.db2.gz JPANXWQSVUHUHR-SRVKXCTJSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000347962391 136017652 /nfs/dbraw/zinc/01/76/52/136017652.db2.gz BMHMJYCQWQWMGG-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[N@H+]1CCOC[C@@]1(C)CC ZINC000348063115 136024528 /nfs/dbraw/zinc/02/45/28/136024528.db2.gz VVCNQDNQBCKQBB-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(O)cc3C2)C1 ZINC000335317966 136025984 /nfs/dbraw/zinc/02/59/84/136025984.db2.gz IEGIRBDSARRJJM-BXUZGUMPSA-N 1 0 242.322 2.443 20 30 BEEDRO C=CCOCCC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000348036527 136028088 /nfs/dbraw/zinc/02/80/88/136028088.db2.gz PNLMJHXVUIYXRO-NEPJUHHUSA-N 1 0 229.389 2.405 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000348042130 136028922 /nfs/dbraw/zinc/02/89/22/136028922.db2.gz YTVQVKHJUVKZSL-CYBMUJFWSA-N 1 0 249.358 2.182 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@]1(C)CCCO ZINC000348048217 136030717 /nfs/dbraw/zinc/03/07/17/136030717.db2.gz KQDSSKOTTORZEX-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCOCCC[NH+]1CCC(n2ccnc2)CC1 ZINC000348050292 136030743 /nfs/dbraw/zinc/03/07/43/136030743.db2.gz LZCZOCKUEYQAPU-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO N#CCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000335314662 136031749 /nfs/dbraw/zinc/03/17/49/136031749.db2.gz DEYLDKSPINJOAV-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO C=CCOCCC[N@@H+]1CCS[C@H](CC)C1 ZINC000348056894 136031802 /nfs/dbraw/zinc/03/18/02/136031802.db2.gz OOUUYZXAXHLAFT-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@](C)(F)C1 ZINC000348055348 136031864 /nfs/dbraw/zinc/03/18/64/136031864.db2.gz PUTOIFYAJKIIKB-LLVKDONJSA-N 1 0 201.285 2.013 20 30 BEEDRO C[N@H+](Cc1cc(C#N)cs1)[C@@H]1CCCOC1 ZINC000335319644 136034136 /nfs/dbraw/zinc/03/41/36/136034136.db2.gz FXIXYFHEBBPYMM-LLVKDONJSA-N 1 0 236.340 2.231 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000348105758 136036755 /nfs/dbraw/zinc/03/67/55/136036755.db2.gz QQZMVXWSMZSKEY-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348114110 136037772 /nfs/dbraw/zinc/03/77/72/136037772.db2.gz GOADMOZDHBDKPT-RKDXNWHRSA-N 1 0 205.248 2.312 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000348159710 136040963 /nfs/dbraw/zinc/04/09/63/136040963.db2.gz NDQMVPRRZHQLIN-ZDUSSCGKSA-N 1 0 235.331 2.139 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000348171483 136042993 /nfs/dbraw/zinc/04/29/93/136042993.db2.gz UQYJNXQPGZTQNH-XQQFMLRXSA-N 1 0 227.348 2.077 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2OC(F)F)CC1 ZINC000348216638 136046808 /nfs/dbraw/zinc/04/68/08/136046808.db2.gz DHWXALCHOSAFAX-BDAKNGLRSA-N 1 0 230.258 2.040 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000348195097 136050702 /nfs/dbraw/zinc/05/07/02/136050702.db2.gz UKGJSFVLNDNRCR-CYBMUJFWSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348233732 136060617 /nfs/dbraw/zinc/06/06/17/136060617.db2.gz VBLQPVMKQCCCKT-IUCAKERBSA-N 1 0 205.248 2.312 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000348231180 136060788 /nfs/dbraw/zinc/06/07/88/136060788.db2.gz OAOUBGIHXANFNW-JSGCOSHPSA-N 1 0 239.359 2.078 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)s1 ZINC000348235784 136061243 /nfs/dbraw/zinc/06/12/43/136061243.db2.gz XIVGPRVCMJOLQI-BDAKNGLRSA-N 1 0 228.267 2.363 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(CC)nc1 ZINC000348418042 136077941 /nfs/dbraw/zinc/07/79/41/136077941.db2.gz YZCCKWVFJDBWOQ-UHFFFAOYSA-N 1 0 234.343 2.278 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000335387861 136089711 /nfs/dbraw/zinc/08/97/11/136089711.db2.gz OUTVELOSWBMVGN-ZJUUUORDSA-N 1 0 246.339 2.178 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCC[C@H]1O ZINC000348554534 136096636 /nfs/dbraw/zinc/09/66/36/136096636.db2.gz YPAQMJJVFUIOTF-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CCCOC1 ZINC000348708253 136116925 /nfs/dbraw/zinc/11/69/25/136116925.db2.gz KSNXJFXGFDVARS-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(=O)C1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172499951 974852136 /nfs/dbraw/zinc/85/21/36/974852136.db2.gz HJDDUANDLBAUET-LLVKDONJSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](CC#N)N(C)CCOCc1ccccc1 ZINC000150860738 397733684 /nfs/dbraw/zinc/73/36/84/397733684.db2.gz UPRHZDJDXPIZLY-CYBMUJFWSA-N 1 0 232.327 2.437 20 30 BEEDRO C[C@@H](CC#N)N(C)CCOCc1ccccc1 ZINC000150860714 397733885 /nfs/dbraw/zinc/73/38/85/397733885.db2.gz UPRHZDJDXPIZLY-ZDUSSCGKSA-N 1 0 232.327 2.437 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]CCCCC#N ZINC000181480395 397808129 /nfs/dbraw/zinc/80/81/29/397808129.db2.gz DTPOUSJJBKWGRL-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000248949652 397771833 /nfs/dbraw/zinc/77/18/33/397771833.db2.gz PLQUXDLHYASJCT-OCCSQVGLSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000491748940 397867724 /nfs/dbraw/zinc/86/77/24/397867724.db2.gz FJGMBHIWQCVGGZ-JTQLQIEISA-N 1 0 216.259 2.151 20 30 BEEDRO COc1cc(C[NH2+]CC[C@@H](C)OC)ccc1C#N ZINC000336794886 397950736 /nfs/dbraw/zinc/95/07/36/397950736.db2.gz GMWBFNIGWNXMJD-LLVKDONJSA-N 1 0 248.326 2.081 20 30 BEEDRO C[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)C(C)(C)C ZINC000592523281 397950847 /nfs/dbraw/zinc/95/08/47/397950847.db2.gz XRGFRFBZFLZPIN-AAEUAGOBSA-N 1 0 224.348 2.019 20 30 BEEDRO CC1=CCC[C@H](C)[C@@H]1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523096 397951087 /nfs/dbraw/zinc/95/10/87/397951087.db2.gz VRHIFLHCPJDFRY-RRFJBIMHSA-N 1 0 248.370 2.329 20 30 BEEDRO CCC#C[C@@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000650179589 397958084 /nfs/dbraw/zinc/95/80/84/397958084.db2.gz IRYZOOSUEQLJNA-UONOGXRCSA-N 1 0 222.376 2.204 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000650216898 397989852 /nfs/dbraw/zinc/98/98/52/397989852.db2.gz CQGJTCCEATWGET-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)C(C)C ZINC000491305355 398037682 /nfs/dbraw/zinc/03/76/82/398037682.db2.gz IQEAEFAAQVSILS-GFCCVEGCSA-N 1 0 227.311 2.310 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000491305339 398037916 /nfs/dbraw/zinc/03/79/16/398037916.db2.gz IMNTVAXNUPHITO-JSGCOSHPSA-N 1 0 217.312 2.064 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000451599576 397978271 /nfs/dbraw/zinc/97/82/71/397978271.db2.gz OTEDOSZQNLZXPO-YPMHNXCESA-N 1 0 248.282 2.028 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CO1 ZINC000595047150 397979865 /nfs/dbraw/zinc/97/98/65/397979865.db2.gz AOUGYWUCSUXHKK-SRVKXCTJSA-N 1 0 222.332 2.226 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000650204827 397984272 /nfs/dbraw/zinc/98/42/72/397984272.db2.gz RHOGUGGRPDIQTB-DCAQKATOSA-N 1 0 249.276 2.033 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2cscn2)C1 ZINC000185860483 398060796 /nfs/dbraw/zinc/06/07/96/398060796.db2.gz DLSGQLRETQRNKP-WDEREUQCSA-N 1 0 235.356 2.358 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1sccc1OC ZINC000186286760 398063041 /nfs/dbraw/zinc/06/30/41/398063041.db2.gz ANOCJQZDDJCLBU-NXEZZACHSA-N 1 0 241.356 2.344 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000186700829 398071820 /nfs/dbraw/zinc/07/18/20/398071820.db2.gz UHXFBPSPZFVFQR-BXUZGUMPSA-N 1 0 237.318 2.283 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OCCOC ZINC000491796290 398073119 /nfs/dbraw/zinc/07/31/19/398073119.db2.gz ZGUPBARJHAQYPZ-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO CC[N@H+](CCNc1ccc(C#N)c(C)n1)C1CC1 ZINC000291988883 398075061 /nfs/dbraw/zinc/07/50/61/398075061.db2.gz QJRRAYJCSLORAK-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000602481334 398075416 /nfs/dbraw/zinc/07/54/16/398075416.db2.gz AZKQRFLJPGFNTJ-AGIUHOORSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1ccccc1[C@H]([C@H](C)NCCC#N)[NH+](C)C ZINC000521427409 398078238 /nfs/dbraw/zinc/07/82/38/398078238.db2.gz AHWCIVMMNPUQEK-ZFWWWQNUSA-N 1 0 245.370 2.490 20 30 BEEDRO Cc1ccccc1[C@@H]([C@@H](C)NCCC#N)[NH+](C)C ZINC000521427408 398078430 /nfs/dbraw/zinc/07/84/30/398078430.db2.gz AHWCIVMMNPUQEK-UKRRQHHQSA-N 1 0 245.370 2.490 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCN(C2CC2)CC1)C(C)(C)C ZINC000491640588 398052215 /nfs/dbraw/zinc/05/22/15/398052215.db2.gz YZEHTAZECBSTBG-CQSZACIVSA-N 1 0 234.387 2.251 20 30 BEEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000295049347 398104102 /nfs/dbraw/zinc/10/41/02/398104102.db2.gz PHVLSHJHEWXADC-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(CO)cc1 ZINC000384911762 398116949 /nfs/dbraw/zinc/11/69/49/398116949.db2.gz CAXGGKMZEPTKLT-UHFFFAOYSA-N 1 0 219.328 2.481 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000266178209 398114462 /nfs/dbraw/zinc/11/44/62/398114462.db2.gz UFVKVDRCFSYARW-GFCCVEGCSA-N 1 0 246.354 2.445 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H](C)OCC12CCC2 ZINC000649822223 398124474 /nfs/dbraw/zinc/12/44/74/398124474.db2.gz ALSDJEJMUNWQNI-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCC[N@H+]1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000649827591 398128668 /nfs/dbraw/zinc/12/86/68/398128668.db2.gz SONHIEVFQUABND-INIZCTEOSA-N 1 0 244.382 2.421 20 30 BEEDRO COCC#CC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000649835777 398133904 /nfs/dbraw/zinc/13/39/04/398133904.db2.gz PZGQNEBNLMYHQT-AWEZNQCLSA-N 1 0 243.350 2.298 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)COc1cc(C)ccc1C ZINC000161943102 487528851 /nfs/dbraw/zinc/52/88/51/487528851.db2.gz QEDHLJUHNWSVBX-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CCC(N2CCC2)CC1 ZINC001172503719 974855504 /nfs/dbraw/zinc/85/55/04/974855504.db2.gz GQSUOCDQLFREBE-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@H]1CN(CCCC#N)CC[N@@H+]1C1CCCC1 ZINC001648327593 1172824264 /nfs/dbraw/zinc/82/42/64/1172824264.db2.gz ISYYCSNMSBRWKN-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@@]12CSC[C@@H]1C[N@H+](CC1(CC#N)CC1)C2 ZINC001648546510 1172848106 /nfs/dbraw/zinc/84/81/06/1172848106.db2.gz CBUFOCJRWYYAKF-NWDGAFQWSA-N 1 0 236.384 2.365 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H]2CCN(CC=C)C2=O)C1 ZINC000661380182 487560655 /nfs/dbraw/zinc/56/06/55/487560655.db2.gz BUNQCSLOIDAVJF-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO N#CCC1CC[NH+](CCC2CCOCC2)CC1 ZINC000259989737 322883971 /nfs/dbraw/zinc/88/39/71/322883971.db2.gz LBZCBZUJURUFDH-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H](C)[C@@H]([NH2+]C(C)C)C1 ZINC001649464538 1172877156 /nfs/dbraw/zinc/87/71/56/1172877156.db2.gz RWSZFFSFGFBZOF-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)C2(CO)CC2)c1 ZINC000668802430 487566021 /nfs/dbraw/zinc/56/60/21/487566021.db2.gz VPFAVCVOTPNRHU-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cc(C)c(C#N)cn1 ZINC001651034953 1172917243 /nfs/dbraw/zinc/91/72/43/1172917243.db2.gz SGAMGILJQJDLTC-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000680384538 487581508 /nfs/dbraw/zinc/58/15/08/487581508.db2.gz ICCKYZZZXZOXOQ-KBPBESRZSA-N 1 0 231.339 2.418 20 30 BEEDRO COCC#CC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000680384541 487581430 /nfs/dbraw/zinc/58/14/30/487581430.db2.gz ICCKYZZZXZOXOQ-ZIAGYGMSSA-N 1 0 231.339 2.418 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CN(CC)c2ccccc2O1 ZINC000057623934 487581828 /nfs/dbraw/zinc/58/18/28/487581828.db2.gz RFOIDGHYYBCJFO-ZDUSSCGKSA-N 1 0 246.354 2.392 20 30 BEEDRO C[NH+]1CCC(Nc2cc(F)ccc2C#N)CC1 ZINC001651315803 1172941356 /nfs/dbraw/zinc/94/13/56/1172941356.db2.gz HZRIILPNGYHPKS-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO Cc1cc(NC[C@H]2CCCC[N@H+]2C)ncc1C#N ZINC001651490666 1172953436 /nfs/dbraw/zinc/95/34/36/1172953436.db2.gz QFMIMGTUTBFWSM-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1cc(NCC[NH2+]C(C)(C)C)ncc1C#N ZINC001651546731 1172958032 /nfs/dbraw/zinc/95/80/32/1172958032.db2.gz CPBLQGCJSVDLGF-UHFFFAOYSA-N 1 0 232.331 2.062 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000308965749 487602001 /nfs/dbraw/zinc/60/20/01/487602001.db2.gz MHVLCMZGNGZNIJ-FRRDWIJNSA-N 1 0 209.333 2.357 20 30 BEEDRO C#CCCCC[NH2+]Cc1csc(C)n1 ZINC000150735703 166127024 /nfs/dbraw/zinc/12/70/24/166127024.db2.gz UOZACOMDGZXVGO-UHFFFAOYSA-N 1 0 208.330 2.345 20 30 BEEDRO C#CCCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000271082716 166127547 /nfs/dbraw/zinc/12/75/47/166127547.db2.gz YRYRJDDDJWGXMC-UHFFFAOYSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000271032655 166128186 /nfs/dbraw/zinc/12/81/86/166128186.db2.gz LFHNZOSZTJSXQZ-HNNXBMFYSA-N 1 0 231.339 2.455 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000271074734 166129077 /nfs/dbraw/zinc/12/90/77/166129077.db2.gz WOEURYXTNBKRBX-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO C#CCCC[NH2+]C(C)(C)c1nccs1 ZINC000231637923 166130119 /nfs/dbraw/zinc/13/01/19/166130119.db2.gz YAUAGEGDHRCLAP-UHFFFAOYSA-N 1 0 208.330 2.381 20 30 BEEDRO C#CCCC[NH+]1CCN(c2cccs2)CC1 ZINC000271043691 166130657 /nfs/dbraw/zinc/13/06/57/166130657.db2.gz NMKDYYMHUSQSCY-UHFFFAOYSA-N 1 0 234.368 2.284 20 30 BEEDRO C#CCCC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000273224921 166133360 /nfs/dbraw/zinc/13/33/60/166133360.db2.gz CLLBEHFNARLBQX-RHSMWYFYSA-N 1 0 249.379 2.109 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(F)c(F)c1 ZINC000270635244 166134602 /nfs/dbraw/zinc/13/46/02/166134602.db2.gz QWBPFVREDNOTCI-UHFFFAOYSA-N 1 0 209.239 2.420 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000270520706 166135338 /nfs/dbraw/zinc/13/53/38/166135338.db2.gz COSMOOSJDLWISB-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=C(C)CC[N@H+](C1CC1)C1(CO)CCC1 ZINC000660770128 409729935 /nfs/dbraw/zinc/72/99/35/409729935.db2.gz AGMIJZHVPAPSTG-UHFFFAOYSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)CCC[NH2+]C ZINC000662603629 409776134 /nfs/dbraw/zinc/77/61/34/409776134.db2.gz YKIYBEJGERYLGI-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132863330 409961136 /nfs/dbraw/zinc/96/11/36/409961136.db2.gz KSONQBUXLRIFCJ-CYDGBPFRSA-N 1 0 221.344 2.498 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000335354194 410038897 /nfs/dbraw/zinc/03/88/97/410038897.db2.gz GRZAWUFQZAGWKB-ZDUSSCGKSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCCF)C1CC1 ZINC000663463013 410257810 /nfs/dbraw/zinc/25/78/10/410257810.db2.gz VOWCRDFWRAAARJ-LBPRGKRZSA-N 1 0 215.312 2.307 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170472 410317091 /nfs/dbraw/zinc/31/70/91/410317091.db2.gz XDQBBZICJZNKRN-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)C(C)(C)CC)C1=O ZINC000661231945 410383193 /nfs/dbraw/zinc/38/31/93/410383193.db2.gz SMOCAKYYNNRHDX-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@H](C)COC ZINC000661239785 410400939 /nfs/dbraw/zinc/40/09/39/410400939.db2.gz JDZWRRIRSCBLPB-AGIUHOORSA-N 1 0 227.348 2.077 20 30 BEEDRO C=CC[N@@H+](CCCCF)[C@@H](C)COC ZINC000661240900 410402128 /nfs/dbraw/zinc/40/21/28/410402128.db2.gz SRBFLDHIXWVLJP-NSHDSACASA-N 1 0 203.301 2.259 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)ccn1)[C@H](C)COC ZINC000661240701 410402279 /nfs/dbraw/zinc/40/22/79/410402279.db2.gz QJLYZWADRRTBRJ-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO Cc1cncc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000335597404 410450153 /nfs/dbraw/zinc/45/01/53/410450153.db2.gz UKLZWXIKMSDFPI-AAEUAGOBSA-N 1 0 215.300 2.172 20 30 BEEDRO C#CC[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000157177139 166192483 /nfs/dbraw/zinc/19/24/83/166192483.db2.gz XBJDONRHCOCPMX-GFCCVEGCSA-N 1 0 231.295 2.132 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000157186103 166192494 /nfs/dbraw/zinc/19/24/94/166192494.db2.gz AXGYLBKYWNDXEY-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO C#CC[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000271433159 166204634 /nfs/dbraw/zinc/20/46/34/166204634.db2.gz DKMMRTGKHGWZGO-MRXNPFEDSA-N 1 0 242.366 2.435 20 30 BEEDRO C#CC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000271468122 166204993 /nfs/dbraw/zinc/20/49/93/166204993.db2.gz IBZFNDVOCADKQF-UONOGXRCSA-N 1 0 215.296 2.130 20 30 BEEDRO C#CC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000270200459 166205055 /nfs/dbraw/zinc/20/50/55/166205055.db2.gz MCRHPIOCZSJYOF-OAHLLOKOSA-N 1 0 239.322 2.274 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)C[C@H](C)CC)n1 ZINC000279672129 166208015 /nfs/dbraw/zinc/20/80/15/166208015.db2.gz FJSFPXAKRKEONC-CYBMUJFWSA-N 1 0 233.359 2.384 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000166449822 166216996 /nfs/dbraw/zinc/21/69/96/166216996.db2.gz HCPMIBBELDBDJT-JTQLQIEISA-N 1 0 218.256 2.015 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnn(CC)c1 ZINC000172180710 166233303 /nfs/dbraw/zinc/23/33/03/166233303.db2.gz MPTQHRRYKQTJDR-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268411494 166234266 /nfs/dbraw/zinc/23/42/66/166234266.db2.gz ASRYICWVIDYWSA-LBPRGKRZSA-N 1 0 234.347 2.259 20 30 BEEDRO C=CCCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000279204821 166240453 /nfs/dbraw/zinc/24/04/53/166240453.db2.gz LLRUXOJMICPNKX-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000273200702 166241377 /nfs/dbraw/zinc/24/13/77/166241377.db2.gz DZVVNZZPIMVQMN-JTQLQIEISA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1nccnc1C ZINC000279868695 166241575 /nfs/dbraw/zinc/24/15/75/166241575.db2.gz FJVUNLZZDFBKRJ-JTQLQIEISA-N 1 0 205.305 2.402 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000279236651 166242115 /nfs/dbraw/zinc/24/21/15/166242115.db2.gz ZJTUDCVZXKKOSL-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C(=O)OC)co1 ZINC000279868050 166242396 /nfs/dbraw/zinc/24/23/96/166242396.db2.gz QLXPHJMIODEGIJ-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000273200705 166244379 /nfs/dbraw/zinc/24/43/79/166244379.db2.gz DZVVNZZPIMVQMN-SNVBAGLBSA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000279832655 166244396 /nfs/dbraw/zinc/24/43/96/166244396.db2.gz CFFIFMDCBKZBAN-GFCCVEGCSA-N 1 0 219.332 2.427 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000343260399 166245741 /nfs/dbraw/zinc/24/57/41/166245741.db2.gz QGFCGESTNBDUAJ-STQMWFEESA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccc(OC)cc1 ZINC000265794306 166256722 /nfs/dbraw/zinc/25/67/22/166256722.db2.gz IPUQVXJELKMRMY-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(-c2cnn(C)c2)no1 ZINC000276399693 166257421 /nfs/dbraw/zinc/25/74/21/166257421.db2.gz KKQGTGXHXYNRCS-UHFFFAOYSA-N 1 0 246.314 2.083 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000265737986 166258434 /nfs/dbraw/zinc/25/84/34/166258434.db2.gz BKFSEFUJNGNWOT-UHFFFAOYSA-N 1 0 223.272 2.074 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnn(C(C)C)c1 ZINC000276120412 166258618 /nfs/dbraw/zinc/25/86/18/166258618.db2.gz JKQNKOXNCJQSRS-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)N(CC)CC(=C)C ZINC000276506948 166259733 /nfs/dbraw/zinc/25/97/33/166259733.db2.gz WZYLPNYXDFTDNY-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000265837485 166261264 /nfs/dbraw/zinc/26/12/64/166261264.db2.gz VPHUNBYFLJCGLI-CQSZACIVSA-N 1 0 235.327 2.237 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(F)nc1C ZINC000278310254 166271450 /nfs/dbraw/zinc/27/14/50/166271450.db2.gz DAUYKVONRFTJKO-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000336757306 166293937 /nfs/dbraw/zinc/29/39/37/166293937.db2.gz KABNRJXVSFDWFG-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1ncnn1C ZINC000276469999 166295427 /nfs/dbraw/zinc/29/54/27/166295427.db2.gz BFDQOOMHYXLNPP-WDEREUQCSA-N 1 0 222.336 2.211 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1nnc(CC)[nH]1 ZINC000296072510 166295848 /nfs/dbraw/zinc/29/58/48/166295848.db2.gz PWEJCSSZNFCHLJ-SNVBAGLBSA-N 1 0 222.336 2.202 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000279448528 166300238 /nfs/dbraw/zinc/30/02/38/166300238.db2.gz IANSTTOKODGHDL-NSHDSACASA-N 1 0 234.343 2.138 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(O)c1ccco1 ZINC000134924890 166300507 /nfs/dbraw/zinc/30/05/07/166300507.db2.gz BVHRHCTYXGOMRC-WCQYABFASA-N 1 0 223.316 2.431 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1nccn1C ZINC000167250834 166301755 /nfs/dbraw/zinc/30/17/55/166301755.db2.gz FHYKICWDARWPCD-NSHDSACASA-N 1 0 207.321 2.255 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)C1CC1)C1CC1 ZINC000336781068 166301821 /nfs/dbraw/zinc/30/18/21/166301821.db2.gz TVYOWBVCDOIHSX-UONOGXRCSA-N 1 0 223.360 2.482 20 30 BEEDRO 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C=CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278343908 166352761 /nfs/dbraw/zinc/35/27/61/166352761.db2.gz PQHURHIEVZVHSD-UHFFFAOYSA-N 1 0 236.290 2.250 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C[C@H]2C=CCC2)CC1 ZINC000171724026 166352825 /nfs/dbraw/zinc/35/28/25/166352825.db2.gz NTVCGWMZYRRZKO-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)c2ccccn2)CC1 ZINC000179470907 166353485 /nfs/dbraw/zinc/35/34/85/166353485.db2.gz XQKDZFVIEZNGMZ-CYBMUJFWSA-N 1 0 245.370 2.383 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000264404814 166353846 /nfs/dbraw/zinc/35/38/46/166353846.db2.gz FINBDNUXYQRSMD-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000152140357 166356987 /nfs/dbraw/zinc/35/69/87/166356987.db2.gz QFHQCMXEQVWJBK-LLVKDONJSA-N 1 0 232.331 2.048 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000263861662 166370124 /nfs/dbraw/zinc/37/01/24/166370124.db2.gz DMDXXUJQMCORNZ-OAHLLOKOSA-N 1 0 246.354 2.276 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000289688522 410577673 /nfs/dbraw/zinc/57/76/73/410577673.db2.gz ICBHVBFVVMEZQG-KOLCDFICSA-N 1 0 209.289 2.094 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000661387816 410605446 /nfs/dbraw/zinc/60/54/46/410605446.db2.gz ZSFLZEHEJQRBAN-NSHDSACASA-N 1 0 205.305 2.198 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)c2nccc(N)n2)C1 ZINC000661386298 410601964 /nfs/dbraw/zinc/60/19/64/410601964.db2.gz RGYSPIUERKRBQJ-VXGBXAGGSA-N 1 0 246.358 2.408 20 30 BEEDRO C=CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664323005 410555538 /nfs/dbraw/zinc/55/55/38/410555538.db2.gz AADQDSRFHWCELC-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO CC(C)C(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000187849706 166741345 /nfs/dbraw/zinc/74/13/45/166741345.db2.gz DBJXKFHXHFXMJK-UHFFFAOYSA-N 1 0 234.347 2.490 20 30 BEEDRO C=CCCCCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000655488714 410800318 /nfs/dbraw/zinc/80/03/18/410800318.db2.gz FKTKVOUCRFSITA-ZDUSSCGKSA-N 1 0 238.375 2.381 20 30 BEEDRO CC(C)OCC[NH2+]Cc1ccc(C#N)cc1 ZINC000042339490 167240821 /nfs/dbraw/zinc/24/08/21/167240821.db2.gz QQWLHXISQBQDJL-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCOCC[NH2+][C@H](CC)c1ccncc1 ZINC000651321998 410918327 /nfs/dbraw/zinc/91/83/27/410918327.db2.gz HOJSRHJDTZHCMB-CYBMUJFWSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CCF)C1 ZINC000652016868 410981215 /nfs/dbraw/zinc/98/12/15/410981215.db2.gz ILTNJUDLAFRVSR-UTUOFQBUSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cnc(C)s1 ZINC000651469415 411051000 /nfs/dbraw/zinc/05/10/00/411051000.db2.gz MOVGORFTZNGJOR-MWLCHTKSSA-N 1 0 240.372 2.429 20 30 BEEDRO C#CC[N@@H+](C)CCCc1cccc(OC)c1 ZINC000192238531 411062214 /nfs/dbraw/zinc/06/22/14/411062214.db2.gz FWLMKWSWVLVYPD-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO CC(C)C(C[N@@H+]1CC[C@](O)(CC#N)C1)C(C)C ZINC000592522129 411133648 /nfs/dbraw/zinc/13/36/48/411133648.db2.gz IFAJLNVFRAXHIU-CQSZACIVSA-N 1 0 238.375 2.265 20 30 BEEDRO CC(C)C(C[N@@H+]1CC[C@@](O)(CC#N)C1)C(C)C ZINC000592522127 411133845 /nfs/dbraw/zinc/13/38/45/411133845.db2.gz IFAJLNVFRAXHIU-AWEZNQCLSA-N 1 0 238.375 2.265 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000651668200 411134391 /nfs/dbraw/zinc/13/43/91/411134391.db2.gz BRFUPEDIVQWDAG-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000651668201 411134450 /nfs/dbraw/zinc/13/44/50/411134450.db2.gz BRFUPEDIVQWDAG-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)CC)C1 ZINC000651671800 411134637 /nfs/dbraw/zinc/13/46/37/411134637.db2.gz DKSHJTRJJFSSSU-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000651686161 411135795 /nfs/dbraw/zinc/13/57/95/411135795.db2.gz SPCKBYROBTVKPX-YPMHNXCESA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000651714137 411137973 /nfs/dbraw/zinc/13/79/73/411137973.db2.gz QZRXTBHBJCJNBV-NEPJUHHUSA-N 1 0 209.333 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MIGJWCRSFLIYEM-JHJVBQTASA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000651759804 411141882 /nfs/dbraw/zinc/14/18/82/411141882.db2.gz CVGHMJSFKUYADB-QWHCGFSZSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000651759803 411142055 /nfs/dbraw/zinc/14/20/55/411142055.db2.gz CVGHMJSFKUYADB-OLZOCXBDSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000651768336 411142786 /nfs/dbraw/zinc/14/27/86/411142786.db2.gz IIUTTYPZKQLYEG-CHWSQXEVSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ncnn2C)C1 ZINC000651784380 411143611 /nfs/dbraw/zinc/14/36/11/411143611.db2.gz MWGBTMLUHMPERI-TUAOUCFPSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)C1 ZINC000651783639 411143615 /nfs/dbraw/zinc/14/36/15/411143615.db2.gz KNNRBSXALCGONM-MQYQWHSLSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2CC(O)C2)C1 ZINC000651786383 411143684 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C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000657939349 411174317 /nfs/dbraw/zinc/17/43/17/411174317.db2.gz TWLIKYJUYSXESP-NEPJUHHUSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C[NH2+]CC1(O)CCC1)c1ccccc1 ZINC000131179736 411176047 /nfs/dbraw/zinc/17/60/47/411176047.db2.gz QJKMTPLMCNNCPL-UHFFFAOYSA-N 1 0 217.312 2.204 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000657954383 411180056 /nfs/dbraw/zinc/18/00/56/411180056.db2.gz ZBKRYSXPZILEGW-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000657973953 411184054 /nfs/dbraw/zinc/18/40/54/411184054.db2.gz KZCTZNUCUHDFLS-CMPLNLGQSA-N 1 0 246.310 2.415 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCSCC1 ZINC000657972655 411184514 /nfs/dbraw/zinc/18/45/14/411184514.db2.gz SXEALEFBFZHSQD-LLVKDONJSA-N 1 0 215.362 2.064 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CC ZINC000657981334 411188004 /nfs/dbraw/zinc/18/80/04/411188004.db2.gz UKORSZXEAVQGEG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](CO)CCF)C1CC1 ZINC000652305204 411194758 /nfs/dbraw/zinc/19/47/58/411194758.db2.gz XTFKZOQYHGRQNU-VXGBXAGGSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CC(=O)NC ZINC000658029071 411206164 /nfs/dbraw/zinc/20/61/64/411206164.db2.gz NNZXISCHCKWLSR-XQQFMLRXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](CC)C(=O)NC ZINC000658032772 411211132 /nfs/dbraw/zinc/21/11/32/411211132.db2.gz VCNPMUSPBCJDTL-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCSCC1 ZINC000658038738 411213119 /nfs/dbraw/zinc/21/31/19/411213119.db2.gz QOLWDTIPNNWJGG-XQQFMLRXSA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000658103567 411246236 /nfs/dbraw/zinc/24/62/36/411246236.db2.gz WQIFUGGLHDQQFZ-GARJFASQSA-N 1 0 220.320 2.228 20 30 BEEDRO C[C@]12COC[C@@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC000661703300 411219990 /nfs/dbraw/zinc/21/99/90/411219990.db2.gz JUGRZNUSBSTMEN-HOTGVXAUSA-N 1 0 241.334 2.006 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)C2CCC2)C1 ZINC000658087850 411238376 /nfs/dbraw/zinc/23/83/76/411238376.db2.gz WECPZUJGVSNCCQ-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)C1CCC1 ZINC000658087675 411238663 /nfs/dbraw/zinc/23/86/63/411238663.db2.gz MDCKYUVOWBZVRH-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)C1CCC1 ZINC000658089101 411240737 /nfs/dbraw/zinc/24/07/37/411240737.db2.gz WZXMOJVJFKWWLQ-LOWVWBTDSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000615136944 411276011 /nfs/dbraw/zinc/27/60/11/411276011.db2.gz LQYUJCJWZIUGNC-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO C=C(CC)Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000656453829 411276020 /nfs/dbraw/zinc/27/60/20/411276020.db2.gz YPBICQMENFIZJE-AWEZNQCLSA-N 1 0 242.326 2.292 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000658171097 411281322 /nfs/dbraw/zinc/28/13/22/411281322.db2.gz WWZJUGGKUNYPMZ-ZJUUUORDSA-N 1 0 219.275 2.355 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000658205014 411291694 /nfs/dbraw/zinc/29/16/94/411291694.db2.gz DIBIBMIFVGMPQE-LBPRGKRZSA-N 1 0 223.316 2.393 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000658207063 411293301 /nfs/dbraw/zinc/29/33/01/411293301.db2.gz SCEZUMOHEMUSRF-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+]C1Cc2ccccc2C1 ZINC000658210734 411294978 /nfs/dbraw/zinc/29/49/78/411294978.db2.gz WFSLIAHGLJTOGS-UHFFFAOYSA-N 1 0 231.339 2.336 20 30 BEEDRO CC(C)OC(=O)[C@H](C)[N@H+](C)C[C@H](C)CCC#N ZINC000602479544 411296526 /nfs/dbraw/zinc/29/65/26/411296526.db2.gz NKTWUSQCTBEAAI-NEPJUHHUSA-N 1 0 240.347 2.198 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656570398 411303855 /nfs/dbraw/zinc/30/38/55/411303855.db2.gz UQPIQVCSZDTJHU-UHFFFAOYSA-N 1 0 202.301 2.236 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658251314 411314811 /nfs/dbraw/zinc/31/48/11/411314811.db2.gz GPDVGXBBAMPSPJ-CYDGBPFRSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658252297 411315305 /nfs/dbraw/zinc/31/53/05/411315305.db2.gz QBSNKVOVUMKYTR-QJPTWQEYSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658252301 411315784 /nfs/dbraw/zinc/31/57/84/411315784.db2.gz QBSNKVOVUMKYTR-SRVKXCTJSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[NH+](CC=C)CCO[C@H]1CC1(F)F ZINC000659839243 411321020 /nfs/dbraw/zinc/32/10/20/411321020.db2.gz TWYGLMHCKHMSAZ-JTQLQIEISA-N 1 0 217.259 2.085 20 30 BEEDRO C=CCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000658115766 411249332 /nfs/dbraw/zinc/24/93/32/411249332.db2.gz DBYSFJYOFZGQNF-CQSZACIVSA-N 1 0 219.328 2.410 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348877 411349731 /nfs/dbraw/zinc/34/97/31/411349731.db2.gz SROZRRALVNAIOG-ZDEQEGDKSA-N 1 0 209.333 2.234 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1SC ZINC000662168808 411372837 /nfs/dbraw/zinc/37/28/37/411372837.db2.gz VTGIZGYTDZUNPE-LLVKDONJSA-N 1 0 223.341 2.045 20 30 BEEDRO CC1(C)C[N@H+](Cc2cccc(C#N)c2)CC[C@@H]1O ZINC000275492765 167958853 /nfs/dbraw/zinc/95/88/53/167958853.db2.gz PSYYUCSMXYXIAD-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628992 411360972 /nfs/dbraw/zinc/36/09/72/411360972.db2.gz YEIIBMUGSUCHPB-DZGCQCFKSA-N 1 0 246.354 2.198 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C(C)C ZINC000659331828 411361329 /nfs/dbraw/zinc/36/13/29/411361329.db2.gz QZJPBTUBKQUBME-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000656787627 411365345 /nfs/dbraw/zinc/36/53/45/411365345.db2.gz PPOUUUPSLWAJGK-GFCCVEGCSA-N 1 0 231.343 2.452 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000313061763 167973960 /nfs/dbraw/zinc/97/39/60/167973960.db2.gz OMBJLOVHIWLQKT-LLVKDONJSA-N 1 0 236.340 2.134 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@@H](C)OCc1ccccc1 ZINC000662168519 411372134 /nfs/dbraw/zinc/37/21/34/411372134.db2.gz JVQPWCHKUAWBCX-UKRRQHHQSA-N 1 0 249.354 2.118 20 30 BEEDRO C=CCCC1(C[NH2+]C[C@@H](O)COC)CCCC1 ZINC000656703830 411339347 /nfs/dbraw/zinc/33/93/47/411339347.db2.gz XMGVVTRJESJAIR-CYBMUJFWSA-N 1 0 241.375 2.110 20 30 BEEDRO COCC#CC[NH2+][C@@]1(C)CCCC[C@H]1C ZINC000656726374 411341387 /nfs/dbraw/zinc/34/13/87/411341387.db2.gz UUTOGERAQVJEQZ-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000658334497 411342774 /nfs/dbraw/zinc/34/27/74/411342774.db2.gz KPURSJOTIGKDQA-GXSJLCMTSA-N 1 0 232.283 2.025 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1OC ZINC000658335073 411343405 /nfs/dbraw/zinc/34/34/05/411343405.db2.gz JJNMZLHHRCDHHX-NWDGAFQWSA-N 1 0 235.327 2.201 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000658335537 411343455 /nfs/dbraw/zinc/34/34/55/411343455.db2.gz BGYCRCGTNRWKSL-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000658334860 411343472 /nfs/dbraw/zinc/34/34/72/411343472.db2.gz VYDUCKXERHRWTE-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1nccn1C ZINC000658335536 411343793 /nfs/dbraw/zinc/34/37/93/411343793.db2.gz BGYCRCGTNRWKSL-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)o2)[C@@H]2CCO[C@@H]21 ZINC000174424958 168014523 /nfs/dbraw/zinc/01/45/23/168014523.db2.gz KPMNVPWVEWEGQQ-XQQFMLRXSA-N 1 0 246.310 2.054 20 30 BEEDRO CC1(C[NH2+]Cc2cccc(C#N)c2)CCOCC1 ZINC000175805317 168044106 /nfs/dbraw/zinc/04/41/06/168044106.db2.gz QUUOJFZAMCNCSJ-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO CC1(CNc2ccc(F)cc2C#N)CC[NH2+]CC1 ZINC000129477131 168049053 /nfs/dbraw/zinc/04/90/53/168049053.db2.gz VIHXVCMSBIKGKF-UHFFFAOYSA-N 1 0 247.317 2.499 20 30 BEEDRO CC1([NH2+]Cc2cccc(C#N)c2)CCOCC1 ZINC000131175869 168063809 /nfs/dbraw/zinc/06/38/09/168063809.db2.gz CKRCTVSBNBFNGT-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO CCC(=O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000190172815 168199780 /nfs/dbraw/zinc/19/97/80/168199780.db2.gz JQQHFEJGUSHVNE-UHFFFAOYSA-N 1 0 230.311 2.359 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](COC)OC ZINC000659822630 411464377 /nfs/dbraw/zinc/46/43/77/411464377.db2.gz MNQUBZSEROYHJB-HNNXBMFYSA-N 1 0 249.354 2.336 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000491661959 411395254 /nfs/dbraw/zinc/39/52/54/411395254.db2.gz BJLDHCXYDGOGBF-OLZOCXBDSA-N 1 0 233.359 2.396 20 30 BEEDRO C=CCCCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659483246 411420016 /nfs/dbraw/zinc/42/00/16/411420016.db2.gz VTQQIYNKUJVSAJ-GFCCVEGCSA-N 1 0 241.379 2.015 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)nn1 ZINC000653561707 411422171 /nfs/dbraw/zinc/42/21/71/411422171.db2.gz QOVLLNQSEKJKMN-QWHCGFSZSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)nn1 ZINC000653561708 411422525 /nfs/dbraw/zinc/42/25/25/411422525.db2.gz QOVLLNQSEKJKMN-STQMWFEESA-N 1 0 248.374 2.475 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655735264 411442997 /nfs/dbraw/zinc/44/29/97/411442997.db2.gz GEGTYZRXJZLWAR-GRYCIOLGSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655735265 411443374 /nfs/dbraw/zinc/44/33/74/411443374.db2.gz GEGTYZRXJZLWAR-SDDRHHMPSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCCCC)nn1 ZINC000657287481 411446477 /nfs/dbraw/zinc/44/64/77/411446477.db2.gz NOOSDZRWWBVJCK-UHFFFAOYSA-N 1 0 222.336 2.134 20 30 BEEDRO C=CC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657287332 411447072 /nfs/dbraw/zinc/44/70/72/411447072.db2.gz LADBFNKZWZMVGZ-AWEZNQCLSA-N 1 0 233.311 2.130 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)nn1 ZINC000653625678 411450341 /nfs/dbraw/zinc/45/03/41/411450341.db2.gz MPWZDGZUWAAVOD-OCCSQVGLSA-N 1 0 246.358 2.229 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C)CC(C)C)nn1 ZINC000657414391 411498651 /nfs/dbraw/zinc/49/86/51/411498651.db2.gz NQOWURRKXLACQV-LBPRGKRZSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2C[C@H]2C2CCC2)nn1 ZINC000657496683 411534540 /nfs/dbraw/zinc/53/45/40/411534540.db2.gz VMJXUWQYSYRFBB-UONOGXRCSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnc2n1CCC2 ZINC000657438029 411510538 /nfs/dbraw/zinc/51/05/38/411510538.db2.gz HNARXAQVNAGBMT-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657455418 411516592 /nfs/dbraw/zinc/51/65/92/411516592.db2.gz JGARBUFSACXFOB-NSHDSACASA-N 1 0 219.332 2.274 20 30 BEEDRO C=CCCC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657456360 411516636 /nfs/dbraw/zinc/51/66/36/411516636.db2.gz XKQRVVQKOADRQO-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000657583848 411555129 /nfs/dbraw/zinc/55/51/29/411555129.db2.gz RJWMQSXJLJFWDK-UHFFFAOYSA-N 1 0 245.370 2.212 20 30 BEEDRO C=CCC1([NH2+]Cc2ccco2)CCOCC1 ZINC000657632976 411566886 /nfs/dbraw/zinc/56/68/86/411566886.db2.gz PFJUXJULPGLKCY-UHFFFAOYSA-N 1 0 221.300 2.495 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(C)cn1 ZINC000657657958 411571982 /nfs/dbraw/zinc/57/19/82/411571982.db2.gz GQPPZJKTGIOOSI-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000657658989 411572492 /nfs/dbraw/zinc/57/24/92/411572492.db2.gz MYQSQEXHAUFJIR-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000657658716 411572533 /nfs/dbraw/zinc/57/25/33/411572533.db2.gz AVEWCLHZXMRYPU-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO CCOC1CC(CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000188786836 170322980 /nfs/dbraw/zinc/32/29/80/170322980.db2.gz YQAIGRULKMYDHB-UHFFFAOYSA-N 1 0 248.326 2.446 20 30 BEEDRO CCOCC(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000288580340 170351747 /nfs/dbraw/zinc/35/17/47/170351747.db2.gz NUPJENRJKQKVPC-UHFFFAOYSA-N 1 0 249.358 2.049 20 30 BEEDRO CCOCC(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336757122 170352497 /nfs/dbraw/zinc/35/24/97/170352497.db2.gz HNDBWIUSGMKHBL-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO CCOCC(C)(C)[NH2+]Cc1cccc(C#N)c1 ZINC000293241017 170354705 /nfs/dbraw/zinc/35/47/05/170354705.db2.gz LJOLRKCPOCYBCG-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(C#N)s1 ZINC000135494108 170380501 /nfs/dbraw/zinc/38/05/01/170380501.db2.gz RZTYURWCKYJBKQ-UHFFFAOYSA-N 1 0 224.329 2.136 20 30 BEEDRO C=CCCC[N@H+]1CCCN(CC)C[C@H]1C ZINC000660791531 411632522 /nfs/dbraw/zinc/63/25/22/411632522.db2.gz OROJUFXMIYKRLN-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](CC)C2CC2)nn1 ZINC000657679742 411580701 /nfs/dbraw/zinc/58/07/01/411580701.db2.gz FDLAFADKTOPVDD-CYBMUJFWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC1([NH2+]Cc2cn(C)cn2)CCCC1 ZINC000657702708 411583218 /nfs/dbraw/zinc/58/32/18/411583218.db2.gz OHMFHUUJHWYCHN-UHFFFAOYSA-N 1 0 219.332 2.399 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660429399 411583358 /nfs/dbraw/zinc/58/33/58/411583358.db2.gz LLXDRIHSDGKGNN-WDEREUQCSA-N 1 0 231.286 2.451 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCCC)cc1C ZINC000657792460 411598298 /nfs/dbraw/zinc/59/82/98/411598298.db2.gz BSGWBSLBTDORJT-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1ccn(C)n1 ZINC000657805113 411600194 /nfs/dbraw/zinc/60/01/94/411600194.db2.gz KLXFFZGIMNHVDF-UHFFFAOYSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCC ZINC000657825569 411607611 /nfs/dbraw/zinc/60/76/11/411607611.db2.gz NYBXXKHQOXFANK-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCC ZINC000657825568 411607818 /nfs/dbraw/zinc/60/78/18/411607818.db2.gz NYBXXKHQOXFANK-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000657842924 411610760 /nfs/dbraw/zinc/61/07/60/411610760.db2.gz LJGNRRSPRKANFU-MGPQQGTHSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOCCOC ZINC000657853079 411612237 /nfs/dbraw/zinc/61/22/37/411612237.db2.gz ZBQUPWDPMPKWPC-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660218 411613895 /nfs/dbraw/zinc/61/38/95/411613895.db2.gz WXBQJKZDVLOXFX-CABCVRRESA-N 1 0 234.387 2.206 20 30 BEEDRO CCC#C[C@H](C)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660660219 411614453 /nfs/dbraw/zinc/61/44/53/411614453.db2.gz WXBQJKZDVLOXFX-GJZGRUSLSA-N 1 0 234.387 2.206 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](OC)C1CCCC1 ZINC000660722951 411619177 /nfs/dbraw/zinc/61/91/77/411619177.db2.gz QTPZWDVMAITFRN-HZSPNIEDSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[N@@H+](CCc1cccc(C)n1)[C@@H](C)COC ZINC000661238788 411739315 /nfs/dbraw/zinc/73/93/15/411739315.db2.gz FPKQWRKSRZYMJC-AWEZNQCLSA-N 1 0 248.370 2.455 20 30 BEEDRO C=CC[N@@H+](CC1CC(OCC)C1)[C@H](C)COC ZINC000661240989 411741369 /nfs/dbraw/zinc/74/13/69/411741369.db2.gz UTHPKZXHHPTIBA-IYXRBSQSSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@H+](Cc1ccccn1)[C@H](C)COC ZINC000661244574 411743467 /nfs/dbraw/zinc/74/34/67/411743467.db2.gz WCVXNQRXXCFWHQ-GFCCVEGCSA-N 1 0 220.316 2.105 20 30 BEEDRO C=CC[N@@H+](CCCOC(C)C)[C@@H](C)COC ZINC000661242953 411743514 /nfs/dbraw/zinc/74/35/14/411743514.db2.gz HMDVMTNLNSUATQ-ZDUSSCGKSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2ccno2)C1 ZINC000661378447 411760665 /nfs/dbraw/zinc/76/06/65/411760665.db2.gz GSBLPMIJSXLHKE-NSHDSACASA-N 1 0 206.289 2.463 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccn(C)c(=O)c2)C1 ZINC000661379354 411761712 /nfs/dbraw/zinc/76/17/12/411761712.db2.gz XGCLHOIIQQSAQV-ZDUSSCGKSA-N 1 0 246.354 2.173 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](CO)C(=C)C)C1 ZINC000661382204 411764992 /nfs/dbraw/zinc/76/49/92/411764992.db2.gz ULDSXMJWEOOYGL-CHWSQXEVSA-N 1 0 209.333 2.212 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661446246 411777696 /nfs/dbraw/zinc/77/76/96/411777696.db2.gz RFNMHWLCDWWZES-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)[C@H](CO)C(=C)C ZINC000663701552 411726284 /nfs/dbraw/zinc/72/62/84/411726284.db2.gz SGJVHCVXOFKXDK-CQSZACIVSA-N 1 0 235.327 2.247 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H](CCF)C1 ZINC000661688390 411839076 /nfs/dbraw/zinc/83/90/76/411839076.db2.gz GSFSNEHOBUDHGY-LBPRGKRZSA-N 1 0 215.312 2.261 20 30 BEEDRO C=CC[N@@H+](CCC(=O)N(C)CC)C(C)(C)C ZINC000661756299 411867224 /nfs/dbraw/zinc/86/72/24/411867224.db2.gz JINCHSMZCFQTBL-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCCNc1cc(N2CCCC2)ncn1 ZINC000664228786 411889324 /nfs/dbraw/zinc/88/93/24/411889324.db2.gz UVDDBGMSWNRFQX-UHFFFAOYSA-N 1 0 218.304 2.065 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](O)COC(C)C)CCCC1 ZINC000661849824 411901437 /nfs/dbraw/zinc/90/14/37/411901437.db2.gz HPWARSGVFSCKKS-CYBMUJFWSA-N 1 0 241.375 2.251 20 30 BEEDRO COCC#CC[NH2+][C@H](C)C1CCC(F)CC1 ZINC000662002536 411939643 /nfs/dbraw/zinc/93/96/43/411939643.db2.gz VOVPMBVQDBBNPD-PNESKVBLSA-N 1 0 227.323 2.143 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000662000561 411939744 /nfs/dbraw/zinc/93/97/44/411939744.db2.gz GXUMRUWMCHFUKV-XVSSEFHLSA-N 1 0 229.339 2.430 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CC)C1CC1 ZINC000661756801 411869122 /nfs/dbraw/zinc/86/91/22/411869122.db2.gz AYBDSHXWJXVYTC-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCNC(=O)CC1)C(C)(C)C ZINC000661757985 411869681 /nfs/dbraw/zinc/86/96/81/411869681.db2.gz NPPUWHNUPOFQTL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](CCc1cnn(C)c1)C(C)(C)C ZINC000661756974 411869781 /nfs/dbraw/zinc/86/97/81/411869781.db2.gz ZTUAAQKVWQGOIQ-UHFFFAOYSA-N 1 0 221.348 2.249 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)COCCCC)C(C)(C)C ZINC000661760476 411871177 /nfs/dbraw/zinc/87/11/77/411871177.db2.gz VJRPQOPJJWOCKF-ZDUSSCGKSA-N 1 0 243.391 2.451 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000661767003 411877771 /nfs/dbraw/zinc/87/77/71/411877771.db2.gz HZXWKCOFQPZFMC-IUODEOHRSA-N 1 0 247.313 2.022 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+]1[C@@H]2CC[C@H]1CC(=C)C2 ZINC000662087979 411971611 /nfs/dbraw/zinc/97/16/11/411971611.db2.gz RVBAJJBMKBJWJW-FRRDWIJNSA-N 1 0 207.317 2.106 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(O)CCCC1 ZINC000662083584 411982099 /nfs/dbraw/zinc/98/20/99/411982099.db2.gz GNBFTKKKAHWONF-BETUJISGSA-N 1 0 221.344 2.475 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCOC1 ZINC000662087969 411982918 /nfs/dbraw/zinc/98/29/18/411982918.db2.gz RMVSSWAECQMFBT-FRRDWIJNSA-N 1 0 207.317 2.348 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C(C)C ZINC000662090413 411985998 /nfs/dbraw/zinc/98/59/98/411985998.db2.gz OTMBCTLWCUGOIZ-FRRDWIJNSA-N 1 0 209.333 2.186 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCc1c(F)cccc1Cl ZINC000662167300 412016870 /nfs/dbraw/zinc/01/68/70/412016870.db2.gz ZBUJDJGAYSMUQT-SECBINFHSA-N 1 0 243.709 2.158 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(C(F)F)c1 ZINC000662168642 412018032 /nfs/dbraw/zinc/01/80/32/412018032.db2.gz OJEOHYJKRJHCDL-LLVKDONJSA-N 1 0 227.254 2.261 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000664833369 412029906 /nfs/dbraw/zinc/02/99/06/412029906.db2.gz QCQJWKIMGGEDJA-UONOGXRCSA-N 1 0 246.354 2.402 20 30 BEEDRO C=C(C)C[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664869729 412037020 /nfs/dbraw/zinc/03/70/20/412037020.db2.gz XUJQQYTXDYHRLC-UHFFFAOYSA-N 1 0 219.332 2.370 20 30 BEEDRO CC[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000292418554 171023704 /nfs/dbraw/zinc/02/37/04/171023704.db2.gz MOJHHLIWAQYNFE-KGLIPLIRSA-N 1 0 230.311 2.076 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(C#N)s1 ZINC000134466783 171165624 /nfs/dbraw/zinc/16/56/24/171165624.db2.gz FQQRXDXBGLQGFZ-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO CC[C@@]1(C)CCC[N@H+](CCOCCC#N)C1 ZINC000339008699 171199621 /nfs/dbraw/zinc/19/96/21/171199621.db2.gz LQALHYAKUWTOEX-ZDUSSCGKSA-N 1 0 224.348 2.429 20 30 BEEDRO CC[C@@]1(O)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000336589282 171214580 /nfs/dbraw/zinc/21/45/80/171214580.db2.gz BJTVYLIFVJADHN-SWLSCSKDSA-N 1 0 244.338 2.466 20 30 BEEDRO CC[C@@]1(O)CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000336589281 171214751 /nfs/dbraw/zinc/21/47/51/171214751.db2.gz BJTVYLIFVJADHN-IUODEOHRSA-N 1 0 244.338 2.466 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cccnc1C#N ZINC000218093615 171308260 /nfs/dbraw/zinc/30/82/60/171308260.db2.gz QYKXMNOAJXDSDP-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1ncccc1C#N ZINC000227920650 171308386 /nfs/dbraw/zinc/30/83/86/171308386.db2.gz LZDZQCIXVLYBFD-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000112379690 171383021 /nfs/dbraw/zinc/38/30/21/171383021.db2.gz AKQGUFGQDVEILU-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1CC1(C)C ZINC000662347290 412118993 /nfs/dbraw/zinc/11/89/93/412118993.db2.gz ZNWNZGFOHLCUMM-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](C)O[C@@](C)(C(F)F)C1 ZINC000662357817 412122128 /nfs/dbraw/zinc/12/21/28/412122128.db2.gz GMBJKTPUCPKFLU-MWLCHTKSSA-N 1 0 219.275 2.307 20 30 BEEDRO C=CCC[N@H+]1C[C@H](C)O[C@](C)(C(F)F)C1 ZINC000662357818 412122207 /nfs/dbraw/zinc/12/22/07/412122207.db2.gz GMBJKTPUCPKFLU-ONGXEEELSA-N 1 0 219.275 2.307 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1cccc(C#N)c1 ZINC000070624160 171460223 /nfs/dbraw/zinc/46/02/23/171460223.db2.gz AGEFONUMHKBLAB-CYBMUJFWSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](CC)[NH2+]C ZINC000662470910 412179428 /nfs/dbraw/zinc/17/94/28/412179428.db2.gz YPZDEBSPLAJTIC-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[C@@]1(C(=O)NCCC(C)(C)C)CCC[NH2+]1 ZINC000662466888 412183999 /nfs/dbraw/zinc/18/39/99/412183999.db2.gz YHDGEFYBUGDUHG-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@]1(C(=O)NCc2ccccc2)CCC[NH2+]1 ZINC000662429785 412167020 /nfs/dbraw/zinc/16/70/20/412167020.db2.gz QAUDZFUNMJUBHQ-OAHLLOKOSA-N 1 0 244.338 2.001 20 30 BEEDRO C=CC[C@@]1(C(=O)N(CCC)CCC)CCC[NH2+]1 ZINC000662433519 412170395 /nfs/dbraw/zinc/17/03/95/412170395.db2.gz IMPONAAUWYHDIO-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cc(C)ccn2)CCC[NH2+]1 ZINC000662659830 412261124 /nfs/dbraw/zinc/26/11/24/412261124.db2.gz PZNFACSIRXLLBA-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)CCCC[NH3+] ZINC000662602798 412236384 /nfs/dbraw/zinc/23/63/84/412236384.db2.gz RPFBUZGOJCDDPZ-QWHCGFSZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000662857316 412326596 /nfs/dbraw/zinc/32/65/96/412326596.db2.gz LDDDFBLGNBADCS-NWDGAFQWSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC1(NC(=O)CC[C@@H](C)[NH3+])CCCC1 ZINC000662888107 412336543 /nfs/dbraw/zinc/33/65/43/412336543.db2.gz FORUYMLHAANZBU-LLVKDONJSA-N 1 0 224.348 2.119 20 30 BEEDRO CCn1cc(C[NH2+]Cc2cc(C#N)cs2)cn1 ZINC000353093371 172172810 /nfs/dbraw/zinc/17/28/10/172172810.db2.gz GZZBTZPBLXSJBG-UHFFFAOYSA-N 1 0 246.339 2.126 20 30 BEEDRO CCn1nc(C)c(C[NH+]2CCC(C#N)CC2)c1C ZINC000123702176 172245683 /nfs/dbraw/zinc/24/56/83/172245683.db2.gz ITXQVHMIFNQXQG-UHFFFAOYSA-N 1 0 246.358 2.255 20 30 BEEDRO C[NH+](C)C(C)(C)CNc1ccc(F)cc1C#N ZINC000104250280 172397651 /nfs/dbraw/zinc/39/76/51/172397651.db2.gz RLJSLQWFGNTUGL-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1cc(C#N)ccc1F ZINC000104203156 172431226 /nfs/dbraw/zinc/43/12/26/172431226.db2.gz VZJBYMOWQZPWOK-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccnc2C#N)C1 ZINC000357505271 172537966 /nfs/dbraw/zinc/53/79/66/172537966.db2.gz AWBGTHKBIOWQAC-NEPJUHHUSA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)C1CCOCC1 ZINC000036321106 172859561 /nfs/dbraw/zinc/85/95/61/172859561.db2.gz UPSRUTFOHPZYFH-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CNc1cccc(F)c1C#N ZINC000227424237 173034712 /nfs/dbraw/zinc/03/47/12/173034712.db2.gz YDSLFUQBMALWML-SNVBAGLBSA-N 1 0 233.290 2.203 20 30 BEEDRO C[N@@H+]1CC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000112799258 173117608 /nfs/dbraw/zinc/11/76/08/173117608.db2.gz UIBUSULTPGLVPD-JTQLQIEISA-N 1 0 233.290 2.061 20 30 BEEDRO C[N@@H+]1CC[C@]2(CCN(c3ccc(C#N)cc3)C2)C1 ZINC000292431438 173168418 /nfs/dbraw/zinc/16/84/18/173168418.db2.gz XLGDNSDDTVIJKG-HNNXBMFYSA-N 1 0 241.338 2.090 20 30 BEEDRO CCN1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC001652278595 1173056716 /nfs/dbraw/zinc/05/67/16/1173056716.db2.gz CPOYUJUMZJRMHG-NRXISQOPSA-N 1 0 249.402 2.390 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1c(F)cc(C#N)cc1F ZINC000129575405 173363863 /nfs/dbraw/zinc/36/38/63/173363863.db2.gz SPTRNWSIWHILOW-MRVPVSSYSA-N 1 0 239.269 2.104 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000281952300 174103241 /nfs/dbraw/zinc/10/32/41/174103241.db2.gz ITXWFBMXATVUOC-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO COCCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000074348923 174187782 /nfs/dbraw/zinc/18/77/82/174187782.db2.gz ZRUKLCCWBRZKKB-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO COCCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000341948239 174246281 /nfs/dbraw/zinc/24/62/81/174246281.db2.gz WJGNKHYKZGDSPV-UHFFFAOYSA-N 1 0 230.311 2.173 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000081711866 174383979 /nfs/dbraw/zinc/38/39/79/174383979.db2.gz LFWVTRQWPSLTMS-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000045035948 174406654 /nfs/dbraw/zinc/40/66/54/174406654.db2.gz PZTBTPNBHQADLP-NSHDSACASA-N 1 0 218.300 2.073 20 30 BEEDRO COc1cc(C[NH2+]CC[C@@H](C)F)ccc1C#N ZINC000339487881 174984080 /nfs/dbraw/zinc/98/40/80/174984080.db2.gz XUKZXUXPGDHUQY-SNVBAGLBSA-N 1 0 236.290 2.405 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCCOCC1 ZINC000334155192 176012938 /nfs/dbraw/zinc/01/29/38/176012938.db2.gz UNEMEKDOUXDVJL-LBPRGKRZSA-N 1 0 230.311 2.342 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000267162614 176013350 /nfs/dbraw/zinc/01/33/50/176013350.db2.gz QVMIZNDCNIQZJL-GXTWGEPZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000222146356 176100198 /nfs/dbraw/zinc/10/01/98/176100198.db2.gz ZKKBGBXJNJDBPK-IUODEOHRSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000037910773 176109365 /nfs/dbraw/zinc/10/93/65/176109365.db2.gz GVLVYVAEARARJI-GFCCVEGCSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000221409022 176150246 /nfs/dbraw/zinc/15/02/46/176150246.db2.gz OUIOLERHFGQCIO-KCPJHIHWSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000357570481 176180631 /nfs/dbraw/zinc/18/06/31/176180631.db2.gz NMQYPBYNFHYIDL-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)CCCO1 ZINC000179399963 176303687 /nfs/dbraw/zinc/30/36/87/176303687.db2.gz OBINMQQVDHYDHK-SNVBAGLBSA-N 1 0 236.340 2.231 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190859337 176317167 /nfs/dbraw/zinc/31/71/67/176317167.db2.gz VGIOZFBKGVBFFA-JMSVASOKSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000070219792 176351925 /nfs/dbraw/zinc/35/19/25/176351925.db2.gz RMXJPILTQIJPRL-LLVKDONJSA-N 1 0 232.352 2.496 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000271513811 176369549 /nfs/dbraw/zinc/36/95/49/176369549.db2.gz POLNBPHOALDBNO-DOMZBBRYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000070357206 176377944 /nfs/dbraw/zinc/37/79/44/176377944.db2.gz HIPLWRKSIZJZII-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H](C)O1 ZINC000296380078 176378148 /nfs/dbraw/zinc/37/81/48/176378148.db2.gz KIQIREQYSCXWHP-JTNHKYCSSA-N 1 0 230.311 2.214 20 30 BEEDRO C[C@H](CO)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000230161468 176689818 /nfs/dbraw/zinc/68/98/18/176689818.db2.gz SNCDMYCYCAHTJQ-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(C#N)cc1F ZINC000330593299 176834840 /nfs/dbraw/zinc/83/48/40/176834840.db2.gz SHUVHNGNLGEMAD-VIFPVBQESA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(O)CC1 ZINC000118390915 177032667 /nfs/dbraw/zinc/03/26/67/177032667.db2.gz HLVGGWAVEFSOLN-LLVKDONJSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCNc1ccnc(C#N)c1 ZINC000286120915 177074976 /nfs/dbraw/zinc/07/49/76/177074976.db2.gz MIWPXKBCOYOKCY-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2ccc(C#N)nc2)C1 ZINC000267408386 177098441 /nfs/dbraw/zinc/09/84/41/177098441.db2.gz RBFPYHHYUWBJDR-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000034673927 177099120 /nfs/dbraw/zinc/09/91/20/177099120.db2.gz ZKKBGBXJNJDBPK-WFASDCNBSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000136155280 177120610 /nfs/dbraw/zinc/12/06/10/177120610.db2.gz HVRGUNMEGJCFOC-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000271140813 177163997 /nfs/dbraw/zinc/16/39/97/177163997.db2.gz PCRVRGAUOYIBOG-VIFPVBQESA-N 1 0 206.314 2.462 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC000128294548 177202877 /nfs/dbraw/zinc/20/28/77/177202877.db2.gz XKHBJXKHVLJDFG-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)CCCO1 ZINC000179399972 177261913 /nfs/dbraw/zinc/26/19/13/177261913.db2.gz OBINMQQVDHYDHK-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO C[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@H](C)O1 ZINC000057661494 177262672 /nfs/dbraw/zinc/26/26/72/177262672.db2.gz NQEUMGLIHKCBPL-BETUJISGSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc(C(F)F)cc2)N1 ZINC000262683880 177278966 /nfs/dbraw/zinc/27/89/66/177278966.db2.gz XRVWAOJREDGAFA-QMMMGPOBSA-N 1 0 239.269 2.062 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000336465315 177319402 /nfs/dbraw/zinc/31/94/02/177319402.db2.gz JAJWKEMQTVRSRQ-WDEREUQCSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@H]1C[C@@H](NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721812 177332012 /nfs/dbraw/zinc/33/20/12/177332012.db2.gz IEDMVCPJPGMGGU-WFASDCNBSA-N 1 0 243.354 2.131 20 30 BEEDRO C[C@H]1[NH2+]CCC[C@H]1Nc1cccc(F)c1C#N ZINC000229606731 177396798 /nfs/dbraw/zinc/39/67/98/177396798.db2.gz BWYDVBBXKIABGB-BXKDBHETSA-N 1 0 233.290 2.250 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488440312 225399249 /nfs/dbraw/zinc/39/92/49/225399249.db2.gz PTLCXGGJYYVVCO-CQSZACIVSA-N 1 0 244.338 2.335 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000487856105 225326718 /nfs/dbraw/zinc/32/67/18/225326718.db2.gz GMRJIEFHWLYGDU-UHFFFAOYSA-N 1 0 232.327 2.381 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@@H]1CCC[C@H]1C ZINC000487984322 225338482 /nfs/dbraw/zinc/33/84/82/225338482.db2.gz BAFFNQLQFVDNAC-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000400325843 226340785 /nfs/dbraw/zinc/34/07/85/226340785.db2.gz AGXBMTZYZMLCEQ-SLEUVZQESA-N 1 0 243.354 2.349 20 30 BEEDRO COCC[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000507159583 226366461 /nfs/dbraw/zinc/36/64/61/226366461.db2.gz INZFJHLOBBQQOR-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)CC#CC ZINC000895098369 583588593 /nfs/dbraw/zinc/58/85/93/583588593.db2.gz ZCFYOGZUZBWDRH-QWHCGFSZSA-N 1 0 209.333 2.095 20 30 BEEDRO C=C(CC)CNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000456809319 487664838 /nfs/dbraw/zinc/66/48/38/487664838.db2.gz BHXAQIVLIAXMCL-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000378794106 487669771 /nfs/dbraw/zinc/66/97/71/487669771.db2.gz PKBVDIQMSTUGLR-XQQFMLRXSA-N 1 0 209.333 2.357 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1F ZINC000404053971 229363075 /nfs/dbraw/zinc/36/30/75/229363075.db2.gz GEWQVDAEMAIOSZ-GFCCVEGCSA-N 1 0 248.301 2.214 20 30 BEEDRO COCCCCC[N@H+](CCC#N)CC1CC1 ZINC000174690706 229391352 /nfs/dbraw/zinc/39/13/52/229391352.db2.gz CNTCTCDVIDQBPF-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000681002395 487692938 /nfs/dbraw/zinc/69/29/38/487692938.db2.gz ARYDOWFOUSUTAX-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527717144 262875348 /nfs/dbraw/zinc/87/53/48/262875348.db2.gz SKPJUQREOJRTFK-JDCLNJACSA-N 1 0 221.344 2.354 20 30 BEEDRO CCC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)OCC ZINC000527933699 262896531 /nfs/dbraw/zinc/89/65/31/262896531.db2.gz RUCNVCIHBZJMKQ-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(CO)ccc1F ZINC000528471120 262951035 /nfs/dbraw/zinc/95/10/35/262951035.db2.gz HFBUNIFZKUCSGX-UHFFFAOYSA-N 1 0 223.291 2.326 20 30 BEEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC1(C#N)CC1 ZINC000528560598 262959213 /nfs/dbraw/zinc/95/92/13/262959213.db2.gz LHHPVZXOHXEEKN-GSPSYOTPSA-N 1 0 248.370 2.304 20 30 BEEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1CC#CCOC ZINC000681032896 487702866 /nfs/dbraw/zinc/70/28/66/487702866.db2.gz WYYRMCGOFSBOOM-MRXNPFEDSA-N 1 0 243.350 2.473 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000399234718 267029981 /nfs/dbraw/zinc/02/99/81/267029981.db2.gz HAHSMIKQMDUFFT-MFKMUULPSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000399302002 267030907 /nfs/dbraw/zinc/03/09/07/267030907.db2.gz PBDUQQDYINNKAN-MFKMUULPSA-N 1 0 248.301 2.043 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C#N)cc1 ZINC000424328282 267197549 /nfs/dbraw/zinc/19/75/49/267197549.db2.gz NUJNMJFINWIWPJ-MGPQQGTHSA-N 1 0 230.311 2.122 20 30 BEEDRO C=CCCCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000308893363 487722763 /nfs/dbraw/zinc/72/27/63/487722763.db2.gz IEIHUZCHULPHON-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCC[C@H](C)C1 ZINC000771445636 585594288 /nfs/dbraw/zinc/59/42/88/585594288.db2.gz DRQRMJDXTBKVTH-UONOGXRCSA-N 1 0 203.329 2.381 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000681402600 487792223 /nfs/dbraw/zinc/79/22/23/487792223.db2.gz OZFOFNRYQRSEBE-ZDUSSCGKSA-N 1 0 219.332 2.486 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](C)CCOC(C)(C)C ZINC000676043170 487803773 /nfs/dbraw/zinc/80/37/73/487803773.db2.gz VEHOOVXICWUYBR-LBPRGKRZSA-N 1 0 229.364 2.060 20 30 BEEDRO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCc3ccccc32)C1 ZINC000592153310 487807597 /nfs/dbraw/zinc/80/75/97/487807597.db2.gz LSHMYDWKCVJATE-CABCVRRESA-N 1 0 242.322 2.024 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680526 487817387 /nfs/dbraw/zinc/81/73/87/487817387.db2.gz CGQNAABJMBAYSC-GHMZBOCLSA-N 1 0 231.286 2.492 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000651685595 487817466 /nfs/dbraw/zinc/81/74/66/487817466.db2.gz YWWVVBUCSINNBC-CHWSQXEVSA-N 1 0 219.332 2.218 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]Cc1cc(C#N)cs1 ZINC000308617440 487825820 /nfs/dbraw/zinc/82/58/20/487825820.db2.gz SLLFMHHEABQTPA-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO C=CC(C)(C)C(=O)OCC[NH+](CC)CC ZINC000837864473 587900771 /nfs/dbraw/zinc/90/07/71/587900771.db2.gz QCEGXVCIDZUPRX-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CCC#N ZINC000076802268 487840211 /nfs/dbraw/zinc/84/02/11/487840211.db2.gz ORAPMQUFGQKARM-CQSZACIVSA-N 1 0 243.354 2.106 20 30 BEEDRO C=CC[N@@H+](C)CCOCc1ccc(OC)cc1 ZINC000681696757 487841656 /nfs/dbraw/zinc/84/16/56/487841656.db2.gz ORRPIEWLWHTUMD-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](OC)C1CCCC1 ZINC000851990141 588652466 /nfs/dbraw/zinc/65/24/66/588652466.db2.gz OKGOMIFWOIWNQK-YPMHNXCESA-N 1 0 209.333 2.145 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000566122199 322958609 /nfs/dbraw/zinc/95/86/09/322958609.db2.gz ABVDXMKUUTWRIZ-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C(CC)C[N@@H+](CC)C(C)(C)C(=O)OC ZINC000933192898 642379212 /nfs/dbraw/zinc/37/92/12/642379212.db2.gz FLZYHCJIGQDNRV-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CCCCNC(=[NH2+])NCCCSCC(C)C ZINC000305289067 642652799 /nfs/dbraw/zinc/65/27/99/642652799.db2.gz GKQFQRLHMOFRCK-UHFFFAOYSA-N 1 0 245.436 2.470 20 30 BEEDRO N#CCCC1CC[NH+](CC2=CCCOC2)CC1 ZINC000566248287 322979702 /nfs/dbraw/zinc/97/97/02/322979702.db2.gz ZPGHBHHHSNERTR-UHFFFAOYSA-N 1 0 234.343 2.349 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000682031786 487884664 /nfs/dbraw/zinc/88/46/64/487884664.db2.gz VPEBIPCTHJIFQK-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000677132580 487889116 /nfs/dbraw/zinc/88/91/16/487889116.db2.gz GSDQBNVPEULVNH-INIZCTEOSA-N 1 0 243.350 2.343 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000682042126 487889591 /nfs/dbraw/zinc/88/95/91/487889591.db2.gz OQVBDEOQFVUOEV-QWHCGFSZSA-N 1 0 211.349 2.291 20 30 BEEDRO COCC#CC[N@H+](Cc1ccc(F)cc1)C1CC1 ZINC000677132672 487888993 /nfs/dbraw/zinc/88/89/93/487888993.db2.gz MFAPISJNXVVQGN-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000682042830 487889742 /nfs/dbraw/zinc/88/97/42/487889742.db2.gz VQIHJVVGZNQGKE-CYBMUJFWSA-N 1 0 209.333 2.004 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1ccccc1C[NH2+]CC ZINC000415940325 487889896 /nfs/dbraw/zinc/88/98/96/487889896.db2.gz DGFVCVOZYMMCBE-NSHDSACASA-N 1 0 247.342 2.492 20 30 BEEDRO COCC#CC[N@H+](C)Cc1cccc(Cl)c1 ZINC000677133148 487892813 /nfs/dbraw/zinc/89/28/13/487892813.db2.gz JUJGMADOUGZSNY-UHFFFAOYSA-N 1 0 237.730 2.422 20 30 BEEDRO CCC#C[C@H](C)N(C)CC1([NH+](C)C)CCC1 ZINC000682095327 487909498 /nfs/dbraw/zinc/90/94/98/487909498.db2.gz SGRHLYVONUBUTI-ZDUSSCGKSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CCC1([NH2+][C@H]2CSC[C@@H]2C)CCOCC1 ZINC000668551340 487921808 /nfs/dbraw/zinc/92/18/08/487921808.db2.gz KLIBOBWCKMQQCF-RYUDHWBXSA-N 1 0 241.400 2.453 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000682220378 487928295 /nfs/dbraw/zinc/92/82/95/487928295.db2.gz DHQHBXZWAULINQ-FRRDWIJNSA-N 1 0 209.333 2.145 20 30 BEEDRO COCC#CC[N@@H+]1CCC(C)=C(c2ccco2)C1 ZINC000669945017 487952316 /nfs/dbraw/zinc/95/23/16/487952316.db2.gz NZLPMEVLQUAAFO-UHFFFAOYSA-N 1 0 245.322 2.409 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677040203 487956531 /nfs/dbraw/zinc/95/65/31/487956531.db2.gz BILPMSAUVUMQBD-CHWSQXEVSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@H](C#N)CCC#N ZINC000561234996 322997762 /nfs/dbraw/zinc/99/77/62/322997762.db2.gz TVULVIPLOIAWBH-LLVKDONJSA-N 1 0 205.305 2.232 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000562345011 323017381 /nfs/dbraw/zinc/01/73/81/323017381.db2.gz RWRCGKUUXHFWSK-STQMWFEESA-N 1 0 247.342 2.121 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(=O)N(C)C ZINC000562654449 323026150 /nfs/dbraw/zinc/02/61/50/323026150.db2.gz NZCKYJIRHYSSJF-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO CC(C)(C[NH2+]CCC#N)Oc1ccccc1 ZINC000566969145 323029301 /nfs/dbraw/zinc/02/93/01/323029301.db2.gz WDUMRKQIXZIMGX-UHFFFAOYSA-N 1 0 218.300 2.347 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ncc(C)cc1C ZINC000567045417 323032841 /nfs/dbraw/zinc/03/28/41/323032841.db2.gz LOIDVAFARPLQIW-CABCVRRESA-N 1 0 246.354 2.174 20 30 BEEDRO CCC(CC)(C[NH2+]CCCCC#N)C(=O)OC ZINC000159653691 323042438 /nfs/dbraw/zinc/04/24/38/323042438.db2.gz QLRYEEXUPRDKSJ-UHFFFAOYSA-N 1 0 240.347 2.249 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000569983932 323046348 /nfs/dbraw/zinc/04/63/48/323046348.db2.gz JNRDGTJBZZWVII-RYUDHWBXSA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000158715460 323073576 /nfs/dbraw/zinc/07/35/76/323073576.db2.gz JBSQXJSTCURGRA-UHFFFAOYSA-N 1 0 228.299 2.046 20 30 BEEDRO C[C@@H](C[NH2+]CCC#N)N(C)c1ccccc1 ZINC000562985799 323077965 /nfs/dbraw/zinc/07/79/65/323077965.db2.gz SYKPGBHAKAANFM-LBPRGKRZSA-N 1 0 217.316 2.015 20 30 BEEDRO N#CCC[NH2+]CCc1ccc2ccccc2n1 ZINC000570955994 323100788 /nfs/dbraw/zinc/10/07/88/323100788.db2.gz OHNDEBAZRDHMHF-UHFFFAOYSA-N 1 0 225.295 2.281 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1sccc1C ZINC000320259674 323102100 /nfs/dbraw/zinc/10/21/00/323102100.db2.gz JLCSZKKIZATXFA-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccsc1C ZINC000320263260 323104481 /nfs/dbraw/zinc/10/44/81/323104481.db2.gz KAQGMTGZXKJKFQ-GFCCVEGCSA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccccn1 ZINC000320264365 323104684 /nfs/dbraw/zinc/10/46/84/323104684.db2.gz KFIUFIHYWOXUHM-VXGBXAGGSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000531868407 323118642 /nfs/dbraw/zinc/11/86/42/323118642.db2.gz JTJKDGSCFKBENX-UTUOFQBUSA-N 1 0 229.389 2.139 20 30 BEEDRO CC#CC[N@H+](C)CCN1CCc2ccccc21 ZINC000339760968 323119427 /nfs/dbraw/zinc/11/94/27/323119427.db2.gz YHXCTSYXFRFLOV-UHFFFAOYSA-N 1 0 228.339 2.004 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563619875 323131727 /nfs/dbraw/zinc/13/17/27/323131727.db2.gz CLAGRNXOYLPDKQ-NEPJUHHUSA-N 1 0 222.332 2.322 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000563638647 323133357 /nfs/dbraw/zinc/13/33/57/323133357.db2.gz RWIHDGZVGCABOB-OLZOCXBDSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000126329260 323174018 /nfs/dbraw/zinc/17/40/18/323174018.db2.gz AUJAQEPLCOITSD-VXGBXAGGSA-N 1 0 247.404 2.144 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000285189640 323178507 /nfs/dbraw/zinc/17/85/07/323178507.db2.gz NPTXNRUJGXKTSY-BXUZGUMPSA-N 1 0 247.338 2.296 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000308833793 323179836 /nfs/dbraw/zinc/17/98/36/323179836.db2.gz HIPUGSXTTRLUBX-WHXUTIOJSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CC[C@@H](C)C1 ZINC000308893223 323181233 /nfs/dbraw/zinc/18/12/33/323181233.db2.gz YKNAULZOJXEKPU-CHWSQXEVSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000563860663 323181369 /nfs/dbraw/zinc/18/13/69/323181369.db2.gz GJFXSOKVLNHSIF-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000563860664 323181395 /nfs/dbraw/zinc/18/13/95/323181395.db2.gz GJFXSOKVLNHSIF-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCC[NH+]1CCC(OC[C@H]2CCOC2)CC1 ZINC000535577240 323186205 /nfs/dbraw/zinc/18/62/05/323186205.db2.gz UALVKZPBMWNYNV-ZDUSSCGKSA-N 1 0 239.359 2.080 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000532140943 323206996 /nfs/dbraw/zinc/20/69/96/323206996.db2.gz RLOLRKHMNVUCBT-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO N#Cc1cccc(OCC[NH2+]C2(C3CC3)CC2)c1 ZINC000542524955 323291052 /nfs/dbraw/zinc/29/10/52/323291052.db2.gz GBYOEHKKCYEGPY-UHFFFAOYSA-N 1 0 242.322 2.469 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000418010909 323313115 /nfs/dbraw/zinc/31/31/15/323313115.db2.gz UEXMGFBKFQBTRE-KKUMJFAQSA-N 1 0 231.339 2.317 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1ccccc1C ZINC000309239808 323333837 /nfs/dbraw/zinc/33/38/37/323333837.db2.gz YDTXUVBEQNPPLJ-ZDUSSCGKSA-N 1 0 205.301 2.194 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000563975546 323337292 /nfs/dbraw/zinc/33/72/92/323337292.db2.gz IJHNHNYXUXZUJW-STQMWFEESA-N 1 0 240.391 2.468 20 30 BEEDRO CC[C@@H](C[NH2+]CCC#N)CC(F)(F)F ZINC000402747979 323418671 /nfs/dbraw/zinc/41/86/71/323418671.db2.gz OWHRQKQUNCINCH-MRVPVSSYSA-N 1 0 208.227 2.468 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000572008825 323522836 /nfs/dbraw/zinc/52/28/36/323522836.db2.gz KNBZZMMSEMQMKX-GWCFXTLKSA-N 1 0 236.315 2.038 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCO[C@@H]1CCCCO1 ZINC000572253766 323579365 /nfs/dbraw/zinc/57/93/65/323579365.db2.gz AORBOTTXDSLXNW-QWHCGFSZSA-N 1 0 240.347 2.202 20 30 BEEDRO CC[NH+]1CCC(CNc2cccnc2C#N)CC1 ZINC000162032137 323594588 /nfs/dbraw/zinc/59/45/88/323594588.db2.gz ZCYNRFSEHITOBG-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)COC2 ZINC000273488850 323636893 /nfs/dbraw/zinc/63/68/93/323636893.db2.gz WIMPPUGMBUXOFV-IAQYHMDHSA-N 1 0 247.338 2.304 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC(=O)NCCC)C1CC1 ZINC000120389347 323985966 /nfs/dbraw/zinc/98/59/66/323985966.db2.gz YIKZBSRTNQMXLD-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCN(C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000121185208 324004768 /nfs/dbraw/zinc/00/47/68/324004768.db2.gz YEVQSWKFHFJYQQ-GFCCVEGCSA-N 1 0 232.327 2.156 20 30 BEEDRO C=CC[N@@H+](C)CC#Cc1ccc(F)cc1 ZINC000121211790 324005481 /nfs/dbraw/zinc/00/54/81/324005481.db2.gz VEIRPSHVBRGGSH-UHFFFAOYSA-N 1 0 203.260 2.295 20 30 BEEDRO CC[NH+](CC)CC(=O)Nc1ccc(CC#N)cc1 ZINC000060992311 324054835 /nfs/dbraw/zinc/05/48/35/324054835.db2.gz PORYSKGEUMAONG-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000123183971 324094510 /nfs/dbraw/zinc/09/45/10/324094510.db2.gz SQBIBRHUTBIQDR-SECBINFHSA-N 1 0 236.271 2.268 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000123202166 324097934 /nfs/dbraw/zinc/09/79/34/324097934.db2.gz CAKQNRSGFREDEO-VIFPVBQESA-N 1 0 235.283 2.088 20 30 BEEDRO COc1cc(C[NH2+]CCCF)ccc1C#N ZINC000304195245 324181216 /nfs/dbraw/zinc/18/12/16/324181216.db2.gz JTJFNGUIVIKOAV-UHFFFAOYSA-N 1 0 222.263 2.016 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529541336 324318030 /nfs/dbraw/zinc/31/80/30/324318030.db2.gz KOCHGRIJEACVOT-SFYZADRCSA-N 1 0 202.248 2.169 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000529594545 324357488 /nfs/dbraw/zinc/35/74/88/324357488.db2.gz KJDRJYSGPQWPCB-IEBDPFPHSA-N 1 0 231.286 2.353 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCN1CCCC1)C1CC1 ZINC000125287126 324637491 /nfs/dbraw/zinc/63/74/91/324637491.db2.gz CYNCYDWLCLVESF-CQSZACIVSA-N 1 0 222.376 2.417 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCN1CCCC1 ZINC000126633589 324707552 /nfs/dbraw/zinc/70/75/52/324707552.db2.gz VZEVXVWARQBYKI-UHFFFAOYSA-N 1 0 223.364 2.002 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(F)c1F ZINC000540326959 324896369 /nfs/dbraw/zinc/89/63/69/324896369.db2.gz UHXZBXMXFYAHCC-SNVBAGLBSA-N 1 0 241.281 2.239 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000129607410 324966353 /nfs/dbraw/zinc/96/63/53/324966353.db2.gz DFJHTCIEGBLUPY-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000130486762 325057123 /nfs/dbraw/zinc/05/71/23/325057123.db2.gz NXOFDIFMADIBCM-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO CCCn1cc(C[NH+]2CCC(CC#N)CC2)cn1 ZINC000542855220 325058008 /nfs/dbraw/zinc/05/80/08/325058008.db2.gz ZWUKPBZOFBHWSM-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO C=CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000130684684 325079983 /nfs/dbraw/zinc/07/99/83/325079983.db2.gz SSEAYQODVXMMIN-TUAOUCFPSA-N 1 0 207.317 2.110 20 30 BEEDRO COc1ccnc(C[NH+]2CCC(CC#N)CC2)c1 ZINC000543808949 325115124 /nfs/dbraw/zinc/11/51/24/325115124.db2.gz BPKCQPBPVDTWLA-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000131620845 325170813 /nfs/dbraw/zinc/17/08/13/325170813.db2.gz RLIYDMVFGDGVOM-NSHDSACASA-N 1 0 205.305 2.138 20 30 BEEDRO CC#CCC[N@H+](C)Cc1cccc(O)c1 ZINC000545904718 325244857 /nfs/dbraw/zinc/24/48/57/325244857.db2.gz VSVGCYQZJPYKTP-UHFFFAOYSA-N 1 0 203.285 2.237 20 30 BEEDRO COCC[N@H+](CCCSCC#N)CC(C)C ZINC000074981760 325273129 /nfs/dbraw/zinc/27/31/29/325273129.db2.gz FNRTUBKMCQAVJJ-UHFFFAOYSA-N 1 0 244.404 2.238 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@](C)(O)CSC ZINC000134923425 325382874 /nfs/dbraw/zinc/38/28/74/325382874.db2.gz OQQVOFBXUPFELM-GHMZBOCLSA-N 1 0 217.378 2.045 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]C(C)(C)C ZINC000135065366 325391779 /nfs/dbraw/zinc/39/17/79/325391779.db2.gz VGAWGHHMYWUIBH-ZDUSSCGKSA-N 1 0 226.364 2.093 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOC2CCCC2)o1 ZINC000135164870 325398039 /nfs/dbraw/zinc/39/80/39/325398039.db2.gz ADMKREZKDPNXSD-UHFFFAOYSA-N 1 0 234.299 2.200 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CC1CCOCC1 ZINC000136959731 325473669 /nfs/dbraw/zinc/47/36/69/325473669.db2.gz WURPRGSFXXPDBI-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[NH+](CC)CC(=O)Nc1ccccc1CC#N ZINC000549716878 325512776 /nfs/dbraw/zinc/51/27/76/325512776.db2.gz QRLPTOQAZZRHGF-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO CCOC1CC(C[NH+]2CCC(CC#N)CC2)C1 ZINC000552068556 325593547 /nfs/dbraw/zinc/59/35/47/325593547.db2.gz MJHFEGLSOPGJSA-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2CCO)C1 ZINC000249055755 325634554 /nfs/dbraw/zinc/63/45/54/325634554.db2.gz YOHYMSQOQUGXCM-MQYQWHSLSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(O)C[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000553294108 325685128 /nfs/dbraw/zinc/68/51/28/325685128.db2.gz YLBUWNBTODDDRX-AWEZNQCLSA-N 1 0 244.338 2.296 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[NH2+]C(C)(C)C ZINC000163005794 325695559 /nfs/dbraw/zinc/69/55/59/325695559.db2.gz FTAUCQYBOLIYTI-UHFFFAOYSA-N 1 0 238.375 2.259 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C#N)CCC#N ZINC000253358566 325719349 /nfs/dbraw/zinc/71/93/49/325719349.db2.gz PROZCFLPRZIALH-QJPTWQEYSA-N 1 0 207.321 2.454 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000556235162 325786399 /nfs/dbraw/zinc/78/63/99/325786399.db2.gz KOCNLGQPFQNSAB-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000564806802 325810766 /nfs/dbraw/zinc/81/07/66/325810766.db2.gz CUTLEJYGKZHYMF-AGIUHOORSA-N 1 0 238.375 2.032 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000564859817 325819251 /nfs/dbraw/zinc/81/92/51/325819251.db2.gz HZRRLVDAIXXSGZ-MELADBBJSA-N 1 0 238.375 2.455 20 30 BEEDRO C[NH2+]CCSCc1ccc(C#N)c(C)c1 ZINC000566184842 326008720 /nfs/dbraw/zinc/00/87/20/326008720.db2.gz QLPLIZLQEYEPGK-UHFFFAOYSA-N 1 0 220.341 2.319 20 30 BEEDRO Cn1cc([C@H]2C[N@H+](CCCC#N)CC2(C)C)cn1 ZINC000566657329 326071218 /nfs/dbraw/zinc/07/12/18/326071218.db2.gz QMMKVPJSSHDPCF-CYBMUJFWSA-N 1 0 246.358 2.149 20 30 BEEDRO N#CCC[NH2+][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000566733656 326077893 /nfs/dbraw/zinc/07/78/93/326077893.db2.gz XELKJVHLZPRZEQ-BFHYXJOUSA-N 1 0 212.296 2.218 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000567363625 326174819 /nfs/dbraw/zinc/17/48/19/326174819.db2.gz NFUBJYGCSHEMHV-ZDUSSCGKSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000567701753 326248294 /nfs/dbraw/zinc/24/82/94/326248294.db2.gz JVVVIZJWAMFQJV-TZMCWYRMSA-N 1 0 244.338 2.044 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2F ZINC000273426524 326265396 /nfs/dbraw/zinc/26/53/96/326265396.db2.gz KLJMYZVJUXLZOH-HZMBPMFUSA-N 1 0 235.302 2.340 20 30 BEEDRO CC#CC[N@H+](C)CCCOc1ccccc1 ZINC000157652129 326288716 /nfs/dbraw/zinc/28/87/16/326288716.db2.gz RLNIWOHYUPEHGX-UHFFFAOYSA-N 1 0 217.312 2.411 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCCC(=O)NCCC ZINC000568163282 326317283 /nfs/dbraw/zinc/31/72/83/326317283.db2.gz UATAQOPPUAJFBG-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1C=CCCC1 ZINC000568501160 326358827 /nfs/dbraw/zinc/35/88/27/326358827.db2.gz FSEHBKHPMPXHMQ-NWDGAFQWSA-N 1 0 203.289 2.128 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000568533980 326364215 /nfs/dbraw/zinc/36/42/15/326364215.db2.gz YSGMUGZVXLMZHJ-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000568533983 326364417 /nfs/dbraw/zinc/36/44/17/326364417.db2.gz YSGMUGZVXLMZHJ-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001172744426 974918539 /nfs/dbraw/zinc/91/85/39/974918539.db2.gz RVHUDYGCOGCIQM-NSHDSACASA-N 1 0 238.331 2.000 20 30 BEEDRO COCC#CC[N@H+](C)[C@H](C)c1cccs1 ZINC000677133154 487980621 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ZINC000404103256 533892135 /nfs/dbraw/zinc/89/21/35/533892135.db2.gz GLYTZKSIKKJIBU-LLVKDONJSA-N 1 0 249.333 2.127 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)O1 ZINC000404069376 533954208 /nfs/dbraw/zinc/95/42/08/533954208.db2.gz KXBIWSRLRUSLAD-BFVZDQMLSA-N 1 0 248.301 2.353 20 30 BEEDRO C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000400325841 533973078 /nfs/dbraw/zinc/97/30/78/533973078.db2.gz AGXBMTZYZMLCEQ-HUBLWGQQSA-N 1 0 243.354 2.349 20 30 BEEDRO CCOCC[N@H+](CC)CCC(C)(C)C#N ZINC000087595663 535585395 /nfs/dbraw/zinc/58/53/95/535585395.db2.gz YUEWMRDXGCCTMV-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCOCCC#N ZINC000339096036 535819207 /nfs/dbraw/zinc/81/92/07/535819207.db2.gz HCGGQOUOFXNCOV-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO Cc1cc(F)c(C#N)c(NC[C@@H](C)[NH+](C)C)c1 ZINC000891755339 582716505 /nfs/dbraw/zinc/71/65/05/582716505.db2.gz IXIKXMNFCSTNIS-SNVBAGLBSA-N 1 0 235.306 2.368 20 30 BEEDRO C=CC[C@@H]1[N@H+](C[C@H](C)O)CCCC1(C)C ZINC000337254581 534323221 /nfs/dbraw/zinc/32/32/21/534323221.db2.gz SMSVANPBTANEOC-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)COC(C)C ZINC000337241492 534323885 /nfs/dbraw/zinc/32/38/85/534323885.db2.gz FQIWEUOAKAZIBX-IHRRRGAJSA-N 1 0 241.375 2.371 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1conc1C ZINC000293167062 534352994 /nfs/dbraw/zinc/35/29/94/534352994.db2.gz GBVRWORRXQZXRS-DGCLKSJQSA-N 1 0 236.315 2.054 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCC1(O)CCOCC1 ZINC000353863619 534357772 /nfs/dbraw/zinc/35/77/72/534357772.db2.gz GHQDXTDLXVDDKN-STQMWFEESA-N 1 0 241.375 2.108 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@H](CO)C(C)(C)C ZINC000120554800 536314378 /nfs/dbraw/zinc/31/43/78/536314378.db2.gz JPRATFMTWMFBLX-LLVKDONJSA-N 1 0 226.364 2.265 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CN(C(C)=O)C1CC1 ZINC000328622637 518604885 /nfs/dbraw/zinc/60/48/85/518604885.db2.gz BKKZKAMROOGTAJ-CQSZACIVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000309842362 534366963 /nfs/dbraw/zinc/36/69/63/534366963.db2.gz DYPWTPFPTIGBAX-NWDGAFQWSA-N 1 0 241.400 2.453 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348945800 534374600 /nfs/dbraw/zinc/37/46/00/534374600.db2.gz DEZVDBSCAKGQHY-NSHDSACASA-N 1 0 207.321 2.379 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1nccn1C ZINC000336731748 534379462 /nfs/dbraw/zinc/37/94/62/534379462.db2.gz LASXXRZZMIJELM-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000354789315 534379954 /nfs/dbraw/zinc/37/99/54/534379954.db2.gz LMRULCCLJOMBMT-QWHCGFSZSA-N 1 0 232.327 2.157 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000358500828 534386451 /nfs/dbraw/zinc/38/64/51/534386451.db2.gz QJVIPHKKMZNDTM-NXEZZACHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000358622000 534390144 /nfs/dbraw/zinc/39/01/44/534390144.db2.gz ADAJHDCDTWIEHO-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=C(CC)C[NH+]1CCN(Cc2ccco2)CC1 ZINC000358626801 534390372 /nfs/dbraw/zinc/39/03/72/534390372.db2.gz SGXUDXOUGWZPAO-UHFFFAOYSA-N 1 0 234.343 2.363 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CCCc1ccc(C)nc1 ZINC000354588431 534395222 /nfs/dbraw/zinc/39/52/22/534395222.db2.gz WPWKWYXFWFMOBK-HNNXBMFYSA-N 1 0 248.370 2.097 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(F)ccc1F ZINC000341327340 534397595 /nfs/dbraw/zinc/39/75/95/534397595.db2.gz ZNODVOJGULDNEV-JTQLQIEISA-N 1 0 241.281 2.239 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000341870462 534400019 /nfs/dbraw/zinc/40/00/19/534400019.db2.gz BZANGLAJWOGTRI-QWRGUYRKSA-N 1 0 238.306 2.056 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000344299800 534400332 /nfs/dbraw/zinc/40/03/32/534400332.db2.gz FWXAGTZLPSVEGM-JSGCOSHPSA-N 1 0 244.338 2.393 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cnccc1C ZINC000341869229 534400456 /nfs/dbraw/zinc/40/04/56/534400456.db2.gz ACZQEVLKUFKDIM-STQMWFEESA-N 1 0 234.343 2.225 20 30 BEEDRO C=C(CC)C[NH2+][C@H](c1nncn1C)C(C)C ZINC000336781648 534418989 /nfs/dbraw/zinc/41/89/89/534418989.db2.gz VEVQSAVWYAKNPD-NSHDSACASA-N 1 0 222.336 2.068 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000368717656 534438785 /nfs/dbraw/zinc/43/87/85/534438785.db2.gz ZZHRVGVRHGZRFG-UHFFFAOYSA-N 1 0 247.791 2.337 20 30 BEEDRO C=C(Cl)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000367606359 534441387 /nfs/dbraw/zinc/44/13/87/534441387.db2.gz WJLXNGLFUVUHIB-NEPJUHHUSA-N 1 0 228.767 2.298 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261599721 534447200 /nfs/dbraw/zinc/44/72/00/534447200.db2.gz ZZASABPVEACAEH-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO CCCCCCCCC(=O)N1CC[C@H]([NH3+])C1 ZINC000116308774 519972911 /nfs/dbraw/zinc/97/29/11/519972911.db2.gz AFLXBPWEDMTKFS-LBPRGKRZSA-N 1 0 226.364 2.297 20 30 BEEDRO C=C1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000335937774 534465131 /nfs/dbraw/zinc/46/51/31/534465131.db2.gz OOVPEBJFCRPLHC-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263132665 534504838 /nfs/dbraw/zinc/50/48/38/534504838.db2.gz NFVUMWCRILAYQM-LLVKDONJSA-N 1 0 223.364 2.245 20 30 BEEDRO C=C[C@@H](CC(=O)NCC[NH+](C)C)c1ccccc1 ZINC000121828579 534514710 /nfs/dbraw/zinc/51/47/10/534514710.db2.gz NKHIFHXOLJFDKP-ZDUSSCGKSA-N 1 0 246.354 2.024 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000352473262 534537370 /nfs/dbraw/zinc/53/73/70/534537370.db2.gz RLBNEGMJQAELMI-PCAWENJQSA-N 1 0 239.265 2.115 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000336745382 534539650 /nfs/dbraw/zinc/53/96/50/534539650.db2.gz QTWHIAQRXCXXCY-OCCSQVGLSA-N 1 0 219.328 2.002 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(OC)cc1 ZINC000289576566 534541320 /nfs/dbraw/zinc/54/13/20/534541320.db2.gz BGHFXQUGCSGTCD-JSGCOSHPSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000289759147 534542419 /nfs/dbraw/zinc/54/24/19/534542419.db2.gz LOTHGQXJUYEFSR-FZMZJTMJSA-N 1 0 219.328 2.447 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[NH+](CC)CC ZINC000352545899 534544212 /nfs/dbraw/zinc/54/42/12/534544212.db2.gz NBYVCHJPKLTMIO-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnn(C)c1 ZINC000292952364 534552868 /nfs/dbraw/zinc/55/28/68/534552868.db2.gz KTBJPZKIROFMHU-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccnn1C ZINC000292916414 534553601 /nfs/dbraw/zinc/55/36/01/534553601.db2.gz HVTZTHMLOGZFRA-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172833667 974951670 /nfs/dbraw/zinc/95/16/70/974951670.db2.gz AIJKJUTZFYRZFI-IUODEOHRSA-N 1 0 213.324 2.464 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000356285345 534603630 /nfs/dbraw/zinc/60/36/30/534603630.db2.gz QNMYVOFHWTWPJN-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000338674930 534625263 /nfs/dbraw/zinc/62/52/63/534625263.db2.gz RDJJOIHVWQELJG-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC1(C(=O)NCC(C)(C)[NH+](C)C)CC1 ZINC000353531741 534633856 /nfs/dbraw/zinc/63/38/56/534633856.db2.gz GKMJCOPLPRBBDR-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC1(C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000356677113 534634388 /nfs/dbraw/zinc/63/43/88/534634388.db2.gz NUKFHCSSJOFDRZ-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCCCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000356906401 534657024 /nfs/dbraw/zinc/65/70/24/534657024.db2.gz FDQDZATVOGLHHS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)NCCC1CC[NH+](C)CC1 ZINC000175498918 534657201 /nfs/dbraw/zinc/65/72/01/534657201.db2.gz HUTVYTUCKNCMRC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000175181506 534657978 /nfs/dbraw/zinc/65/79/78/534657978.db2.gz JSARRUAPQXDULX-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCC(=O)NCC(C)(C)C[NH+](C)C ZINC000175098110 534657704 /nfs/dbraw/zinc/65/77/04/534657704.db2.gz AFBIAUUVXUHMOY-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCCCNc1ccccc1 ZINC000264077143 534661902 /nfs/dbraw/zinc/66/19/02/534661902.db2.gz GBFLBZPPEPSWBW-UHFFFAOYSA-N 1 0 248.374 2.191 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911140 534664079 /nfs/dbraw/zinc/66/40/79/534664079.db2.gz VKAZAQCOSNWPOO-NEPJUHHUSA-N 1 0 249.333 2.384 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000263055882 534664588 /nfs/dbraw/zinc/66/45/88/534664588.db2.gz LRCLGXDCTAUKLX-BXUZGUMPSA-N 1 0 249.333 2.327 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371885356 534667232 /nfs/dbraw/zinc/66/72/32/534667232.db2.gz CXUCAFUYOYTAAK-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000162577507 534668948 /nfs/dbraw/zinc/66/89/48/534668948.db2.gz BLZQMWHPRBYXND-TUAOUCFPSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCCCCC[NH2+]Cc1cnn(C)n1 ZINC000293033042 534672536 /nfs/dbraw/zinc/67/25/36/534672536.db2.gz RQOXOVOREOXTHU-UHFFFAOYSA-N 1 0 222.336 2.041 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000336760309 534685240 /nfs/dbraw/zinc/68/52/40/534685240.db2.gz MDZBEGJMGRZHEO-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cnc2cnccn12 ZINC000336198344 534696607 /nfs/dbraw/zinc/69/66/07/534696607.db2.gz HLTGOLQKOCQAOV-LBPRGKRZSA-N 1 0 242.326 2.270 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C(=O)OC)cn1 ZINC000286289004 534708995 /nfs/dbraw/zinc/70/89/95/534708995.db2.gz FXOWXWADOPRKFY-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000348919043 534713527 /nfs/dbraw/zinc/71/35/27/534713527.db2.gz BDIPRUIGNOBSBY-LLVKDONJSA-N 1 0 207.321 2.379 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](c2nc(C)no2)C1 ZINC000346279592 534718883 /nfs/dbraw/zinc/71/88/83/534718883.db2.gz VTGNZXFLEYTQBC-LLVKDONJSA-N 1 0 221.304 2.134 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000373811216 534722035 /nfs/dbraw/zinc/72/20/35/534722035.db2.gz LOMQYBBJHKOPGT-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)N(CC)C[C@@H]1C ZINC000346204221 534722222 /nfs/dbraw/zinc/72/22/22/534722222.db2.gz ZESFNHMVYCXDGX-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000373401304 534723380 /nfs/dbraw/zinc/72/33/80/534723380.db2.gz WUYQVXUYHKSBOX-DGCLKSJQSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000356449652 534755195 /nfs/dbraw/zinc/75/51/95/534755195.db2.gz WVELIRVRHVQNLU-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000356449647 534755393 /nfs/dbraw/zinc/75/53/93/534755393.db2.gz WVELIRVRHVQNLU-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000305790657 534756590 /nfs/dbraw/zinc/75/65/90/534756590.db2.gz ZZCGACOPBFFJOR-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000338566499 534767531 /nfs/dbraw/zinc/76/75/31/534767531.db2.gz RIXHLZYYHDDSMC-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)CC ZINC000342718193 534769612 /nfs/dbraw/zinc/76/96/12/534769612.db2.gz ICBXVZZMLATLCU-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)CCC ZINC000342719381 534771151 /nfs/dbraw/zinc/77/11/51/534771151.db2.gz ISZOCIIGMAMANL-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccsc1 ZINC000120865723 534776253 /nfs/dbraw/zinc/77/62/53/534776253.db2.gz GYRQJSCPAVDBBQ-UHFFFAOYSA-N 1 0 211.330 2.430 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cn2ccccc2n1 ZINC000120800090 534776579 /nfs/dbraw/zinc/77/65/79/534776579.db2.gz BTFBRZSEKQHPMQ-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000337492562 534779161 /nfs/dbraw/zinc/77/91/61/534779161.db2.gz XCLCJPBSZSVBEZ-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@]1(OC)CCOC1)C1CC1 ZINC000359396695 534798509 /nfs/dbraw/zinc/79/85/09/534798509.db2.gz NNKDCIQMWMOGFK-KGLIPLIRSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1CC ZINC000336731236 534805845 /nfs/dbraw/zinc/80/58/45/534805845.db2.gz KPKAVOIQNDZTFP-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1CC1 ZINC000347911058 534814636 /nfs/dbraw/zinc/81/46/36/534814636.db2.gz KEOXZRLVEBZIHP-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1CCO[C@H](C)C1 ZINC000352745043 534828990 /nfs/dbraw/zinc/82/89/90/534828990.db2.gz SVXXBIHBPOGHHP-CHWSQXEVSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](O)Cc1ccccc1 ZINC000192498792 534829416 /nfs/dbraw/zinc/82/94/16/534829416.db2.gz PYRJBRBFTNVVEL-HNNXBMFYSA-N 1 0 231.339 2.264 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](C)c1ccc(C)cc1 ZINC000267398093 534843375 /nfs/dbraw/zinc/84/33/75/534843375.db2.gz FIVXZJHDQIHXNK-LBPRGKRZSA-N 1 0 231.343 2.189 20 30 BEEDRO C=CCN1CC[NH2+]C[C@H]1c1ccc(CC)cc1 ZINC000262132512 534849284 /nfs/dbraw/zinc/84/92/84/534849284.db2.gz DDTDQILSPILEIA-HNNXBMFYSA-N 1 0 230.355 2.381 20 30 BEEDRO C=CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000177593636 534846858 /nfs/dbraw/zinc/84/68/58/534846858.db2.gz XFWCFLGCZLCTBR-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000177593620 534847056 /nfs/dbraw/zinc/84/70/56/534847056.db2.gz XFWCFLGCZLCTBR-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000334391240 534854083 /nfs/dbraw/zinc/85/40/83/534854083.db2.gz VAQMHJNFOHIJBD-UHFFFAOYSA-N 1 0 239.322 2.416 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)c1ccccc1 ZINC000066109854 534859918 /nfs/dbraw/zinc/85/99/18/534859918.db2.gz HDFCNAMLTRUDMD-CYBMUJFWSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000348098184 534874030 /nfs/dbraw/zinc/87/40/30/534874030.db2.gz FAKPPVKVZWFLOT-UONOGXRCSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@@H+](CCC)CC(C)(C)O ZINC000348039207 534874915 /nfs/dbraw/zinc/87/49/15/534874915.db2.gz TYKGLYVDGYXASE-UHFFFAOYSA-N 1 0 229.364 2.062 20 30 BEEDRO C=CCOCCC[N@H+](CC1CCC1)[C@H](C)CO ZINC000361500467 534875002 /nfs/dbraw/zinc/87/50/02/534875002.db2.gz FDPVMJXSXUZEAL-CYBMUJFWSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@@H+](CC)C[C@H]1CCCO1 ZINC000347962078 534875149 /nfs/dbraw/zinc/87/51/49/534875149.db2.gz HUNFHLNNRIZUPS-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000348172800 534875902 /nfs/dbraw/zinc/87/59/02/534875902.db2.gz ZIWMIOKFDYRPCF-ZDUSSCGKSA-N 1 0 247.338 2.042 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348537376 534875961 /nfs/dbraw/zinc/87/59/61/534875961.db2.gz STPZLXRPJDLFAK-QWRGUYRKSA-N 1 0 249.301 2.329 20 30 BEEDRO C=CCOCCC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000348059152 534875976 /nfs/dbraw/zinc/87/59/76/534875976.db2.gz VZXJSFNYGRSENA-ZIAGYGMSSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)Cc1ccccc1 ZINC000293489348 534877384 /nfs/dbraw/zinc/87/73/84/534877384.db2.gz MXUYMAQQDYNDPI-UHFFFAOYSA-N 1 0 249.354 2.338 20 30 BEEDRO C=CCOCC[N@@H+]([C@H](C)C1CC1)C1CC1 ZINC000338908654 534877601 /nfs/dbraw/zinc/87/76/01/534877601.db2.gz UJOPPKNUFOTEKX-LLVKDONJSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000339031046 534879549 /nfs/dbraw/zinc/87/95/49/534879549.db2.gz AZDKTJPEYYOCHC-OAHLLOKOSA-N 1 0 246.354 2.375 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H](C)CO)cc1 ZINC000349274556 534882745 /nfs/dbraw/zinc/88/27/45/534882745.db2.gz GOHXRMQOJGSHAX-LBPRGKRZSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CCOc1ccc(CN2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000261924585 534883434 /nfs/dbraw/zinc/88/34/34/534883434.db2.gz BZLLEHPOXCEUDU-DOMZBBRYSA-N 1 0 246.354 2.030 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000495837288 526444562 /nfs/dbraw/zinc/44/45/62/526444562.db2.gz NUVDVFVJAJXJKB-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1 ZINC000471809923 526873708 /nfs/dbraw/zinc/87/37/08/526873708.db2.gz MQFKNOCJOXHRNR-OCCSQVGLSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)cnn1C)C1CCCCC1 ZINC000491794412 526903558 /nfs/dbraw/zinc/90/35/58/526903558.db2.gz QRBKCRJQDTWSLO-UHFFFAOYSA-N 1 0 245.370 2.496 20 30 BEEDRO C#CCN1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000306391775 526954206 /nfs/dbraw/zinc/95/42/06/526954206.db2.gz GCFWIRLSFCTWCL-HNNXBMFYSA-N 1 0 242.366 2.074 20 30 BEEDRO C#CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000491700575 527044272 /nfs/dbraw/zinc/04/42/72/527044272.db2.gz SYPGEOPODIIPLL-UHFFFAOYSA-N 1 0 229.323 2.001 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000400468923 527136774 /nfs/dbraw/zinc/13/67/74/527136774.db2.gz WJXVUGLQVVOFGL-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(C)C[C@H]1C ZINC000487881271 527132924 /nfs/dbraw/zinc/13/29/24/527132924.db2.gz YGFYGCPOSCMMTE-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCCC[N@H+]1CCSC[C@H]1CO ZINC000488171341 527134526 /nfs/dbraw/zinc/13/45/26/527134526.db2.gz YDYSBTPQBLUMQX-GFCCVEGCSA-N 1 0 229.389 2.143 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401926194 527136431 /nfs/dbraw/zinc/13/64/31/527136431.db2.gz ZDBYLRUBDVNUON-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[NH+]1CCN(C(=O)OCC)CC1 ZINC000496875899 527138981 /nfs/dbraw/zinc/13/89/81/527138981.db2.gz OWINKDKGYUQEOT-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C=CCCC[N@H+]1CCN(CCC)C(=O)C1(C)C ZINC000495242036 527199490 /nfs/dbraw/zinc/19/94/90/527199490.db2.gz RLYCQHOGMQSPPM-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc(Cl)c1 ZINC000491743816 527214391 /nfs/dbraw/zinc/21/43/91/527214391.db2.gz WVBHEWTUNHEEQR-ZWNOBZJWSA-N 1 0 237.730 2.327 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000491638833 527214479 /nfs/dbraw/zinc/21/44/79/527214479.db2.gz ZXUQSVWSPLYEDO-OLZOCXBDSA-N 1 0 221.344 2.432 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308364403 527235296 /nfs/dbraw/zinc/23/52/96/527235296.db2.gz JNZZOFQSGNMZDR-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000491620912 527246632 /nfs/dbraw/zinc/24/66/32/527246632.db2.gz HPJMWKFXQGVBOW-MEBFFEOJSA-N 1 0 221.344 2.191 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000494504711 527274159 /nfs/dbraw/zinc/27/41/59/527274159.db2.gz MZUSUXQVKYQAEW-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000300951589 527294796 /nfs/dbraw/zinc/29/47/96/527294796.db2.gz PTVYYUYALHUXKL-YVECIDJPSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000172625164 527324964 /nfs/dbraw/zinc/32/49/64/527324964.db2.gz VWMGBSAXKZJATF-LLVKDONJSA-N 1 0 242.363 2.408 20 30 BEEDRO C#C[C@H](CCC)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000491624698 527373347 /nfs/dbraw/zinc/37/33/47/527373347.db2.gz JTRFSJBLVMWLCC-NWDGAFQWSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@H]([NH2+]CC1(OC)CCCC1)C(C)C ZINC000308963159 527410199 /nfs/dbraw/zinc/41/01/99/527410199.db2.gz SSEMXVNFPFVJAI-LBPRGKRZSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(OC)c1)C(C)C ZINC000300985993 527411266 /nfs/dbraw/zinc/41/12/66/527411266.db2.gz UWRIWVPBXDCRQD-AWEZNQCLSA-N 1 0 217.312 2.443 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(CCC)c1)C(C)C ZINC000300738020 527411451 /nfs/dbraw/zinc/41/14/51/527411451.db2.gz ALOOCQOUDXMWBE-ZDUSSCGKSA-N 1 0 219.332 2.041 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](COC)CC(C)C)C(C)C ZINC000308971804 527413305 /nfs/dbraw/zinc/41/33/05/527413305.db2.gz ZZSZPCSKQJMBHJ-OLZOCXBDSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C(C)C ZINC000310316470 527413877 /nfs/dbraw/zinc/41/38/77/527413877.db2.gz SFXKVRHEKYUXJD-GARJFASQSA-N 1 0 249.276 2.344 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(C)C ZINC000301010584 527414145 /nfs/dbraw/zinc/41/41/45/527414145.db2.gz YTDPMXWRURKIAX-STQMWFEESA-N 1 0 221.344 2.336 20 30 BEEDRO CC1CC[NH+](CCN(CCC#N)CC2CC2)CC1 ZINC000493824656 528241798 /nfs/dbraw/zinc/24/17/98/528241798.db2.gz TWZCOYQEUMDYEX-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO CC[N@H+](CCCSCCOC)C[C@@H](C)C#N ZINC000487892293 528472724 /nfs/dbraw/zinc/47/27/24/528472724.db2.gz TUPVACIMDLKGAX-LBPRGKRZSA-N 1 0 244.404 2.238 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)CC(C)(C)O ZINC000487879238 528770089 /nfs/dbraw/zinc/77/00/89/528770089.db2.gz LWZSPKDXWDXDAS-UHFFFAOYSA-N 1 0 246.354 2.460 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000295347823 534998822 /nfs/dbraw/zinc/99/88/22/534998822.db2.gz YJFQGJGDNNVYER-CQSZACIVSA-N 1 0 229.323 2.195 20 30 BEEDRO CC(C)[N@H+](CCCCC#N)[C@H]1CCOC1 ZINC000361419699 535053198 /nfs/dbraw/zinc/05/31/98/535053198.db2.gz GQOIUWLAIOKPRH-LBPRGKRZSA-N 1 0 210.321 2.180 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000267404930 535064923 /nfs/dbraw/zinc/06/49/23/535064923.db2.gz GRCAVMFORXLAKY-KBPBESRZSA-N 1 0 245.370 2.178 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCC#N)[C@H]2CCCO[C@@H]21 ZINC000309363765 535070004 /nfs/dbraw/zinc/07/00/04/535070004.db2.gz AWPDJPWPZJOWRK-UTUOFQBUSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]2CCO[C@@H]21 ZINC000185842727 535077319 /nfs/dbraw/zinc/07/73/19/535077319.db2.gz OXGLOPNCMZBJIH-MRTXSQPYSA-N 1 0 248.370 2.472 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCO[C@H]21 ZINC000349375749 535077662 /nfs/dbraw/zinc/07/76/62/535077662.db2.gz CXAKMECMDSMCAY-ZOLYEBIHSA-N 1 0 234.343 2.082 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCCO[C@H]21 ZINC000349308534 535077720 /nfs/dbraw/zinc/07/77/20/535077720.db2.gz ABRIPSPYYSGKMU-MEBFFEOJSA-N 1 0 248.370 2.472 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(C)cc1OC ZINC000268122074 535262555 /nfs/dbraw/zinc/26/25/55/535262555.db2.gz HRGZHHLEUIRKOC-UHFFFAOYSA-N 1 0 249.358 2.208 20 30 BEEDRO CC1(C#N)CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000336432097 535276432 /nfs/dbraw/zinc/27/64/32/535276432.db2.gz REQUPQRUSSGPAP-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]CCCC(C)(C)C#N ZINC000336682622 535309951 /nfs/dbraw/zinc/30/99/51/535309951.db2.gz RZYKRFCBIBRGLU-CYBMUJFWSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)[C@@]1(CO)CCC[N@H+](CC2(C#N)CC2)C1 ZINC000339706299 535317891 /nfs/dbraw/zinc/31/78/91/535317891.db2.gz FRLSQMYFZJNUEJ-AWEZNQCLSA-N 1 0 236.359 2.021 20 30 BEEDRO CCCCOc1cccc(CNC(=[NH2+])NCC)c1 ZINC000264129861 535327776 /nfs/dbraw/zinc/32/77/76/535327776.db2.gz XRNSHVOWSIVFIS-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO CCCN(CCCC#N)CC[NH+]1CCCCC1 ZINC000353170036 535328610 /nfs/dbraw/zinc/32/86/10/535328610.db2.gz QMZDFFYHJXZZLO-UHFFFAOYSA-N 1 0 237.391 2.488 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCCn1cncn1 ZINC000393780446 582924391 /nfs/dbraw/zinc/92/43/91/582924391.db2.gz QVMSNSFTGKFRRB-LBPRGKRZSA-N 1 0 222.336 2.003 20 30 BEEDRO CCOc1ccc(CNC(=[NH2+])NC(C)(C)C)cc1 ZINC000264104528 535711679 /nfs/dbraw/zinc/71/16/79/535711679.db2.gz NLPASDZYPUUMDI-UHFFFAOYSA-N 1 0 249.358 2.288 20 30 BEEDRO CCNC(N[C@H]1C[C@@H]1Cc1ccccc1)=[NH+]CC ZINC000267435110 535786946 /nfs/dbraw/zinc/78/69/46/535786946.db2.gz NRQFUNZNROQMBJ-KBPBESRZSA-N 1 0 245.370 2.193 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000263130403 535818654 /nfs/dbraw/zinc/81/86/54/535818654.db2.gz NBNGGVLOHKRRAX-VXGBXAGGSA-N 1 0 223.364 2.223 20 30 BEEDRO CCc1nn(C)cc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361436304 535828803 /nfs/dbraw/zinc/82/88/03/535828803.db2.gz URWJSTMJOPXOGN-YPMHNXCESA-N 1 0 246.358 2.154 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1CCC(C)(C)C#N ZINC000087595186 535835051 /nfs/dbraw/zinc/83/50/51/535835051.db2.gz QRMHCWMXKGQAMI-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]1CO[C@H](C)C[N@@H+]1CCCSCC#N ZINC000342086550 535851616 /nfs/dbraw/zinc/85/16/16/535851616.db2.gz CVYUCBDGKCVTTJ-VXGBXAGGSA-N 1 0 242.388 2.133 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@H+](CC)CCC#N)CCO1 ZINC000356926190 535897097 /nfs/dbraw/zinc/89/70/97/535897097.db2.gz SHJYVYYRPAFCQF-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@]1(C)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339114423 535918151 /nfs/dbraw/zinc/91/81/51/535918151.db2.gz XAXAEJLXJWWZML-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000335401234 535962199 /nfs/dbraw/zinc/96/21/99/535962199.db2.gz RHKDXOVMKYONEB-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[C@H](C)NC(NCc1cccs1)=[NH+]C ZINC000263242284 536145920 /nfs/dbraw/zinc/14/59/20/536145920.db2.gz LOXYKOPTVMNWGZ-VIFPVBQESA-N 1 0 225.361 2.212 20 30 BEEDRO CNC(=[NH2+])NCC1(c2ccc(F)cc2)CCCC1 ZINC000264115506 536304250 /nfs/dbraw/zinc/30/42/50/536304250.db2.gz SKNWXNZGLYSKCE-UHFFFAOYSA-N 1 0 249.333 2.172 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262882071 536304263 /nfs/dbraw/zinc/30/42/63/536304263.db2.gz WAWRYVBXMCEGOE-QWHCGFSZSA-N 1 0 235.375 2.283 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339016407 536326290 /nfs/dbraw/zinc/32/62/90/536326290.db2.gz ANSCDGPCTVCFJS-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339016408 536326396 /nfs/dbraw/zinc/32/63/96/536326396.db2.gz ANSCDGPCTVCFJS-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO C[NH2+][C@@H]1CCCN(c2cc(Cl)ccc2C#N)C1 ZINC000062785889 536365376 /nfs/dbraw/zinc/36/53/76/536365376.db2.gz GYIVRDVLMKPHBT-GFCCVEGCSA-N 1 0 249.745 2.400 20 30 BEEDRO C[N@H+](C[C@@H](C#N)CCC#N)CC(C)(C)C ZINC000352788212 536415281 /nfs/dbraw/zinc/41/52/81/536415281.db2.gz JMGOYBMLVMPLCS-LLVKDONJSA-N 1 0 207.321 2.408 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336756532 536591422 /nfs/dbraw/zinc/59/14/22/536591422.db2.gz HCWWHWSUXOBGLN-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@H](C[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000339526771 536638396 /nfs/dbraw/zinc/63/83/96/536638396.db2.gz DTZQMGBQINYASB-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@H]2CC[C@H]2C)cc1 ZINC000262629305 536656016 /nfs/dbraw/zinc/65/60/16/536656016.db2.gz FHTJAPNQBISRDK-SKDRFNHKSA-N 1 0 233.315 2.220 20 30 BEEDRO COc1cc(C[NH2+]CCCC#N)cc(OC)c1 ZINC000273059344 536796208 /nfs/dbraw/zinc/79/62/08/536796208.db2.gz LZTNKFFKGICYLX-UHFFFAOYSA-N 1 0 234.299 2.097 20 30 BEEDRO COCC[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000087595324 536833146 /nfs/dbraw/zinc/83/31/46/536833146.db2.gz BJCDDZDHDBITNI-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000349813778 536898220 /nfs/dbraw/zinc/89/82/20/536898220.db2.gz PZKGECJQLXTIGR-CHWSQXEVSA-N 1 0 230.311 2.477 20 30 BEEDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000339112880 537128311 /nfs/dbraw/zinc/12/83/11/537128311.db2.gz WGQGHDXIRBGDAU-SRVKXCTJSA-N 1 0 245.326 2.433 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH+]2CCC(S)CC2)C1 ZINC001172942500 974998910 /nfs/dbraw/zinc/99/89/10/974998910.db2.gz JRQMBSDMVVYEKY-MNOVXSKESA-N 1 0 229.389 2.338 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CC1CCC(OC)CC1 ZINC000894058863 583291356 /nfs/dbraw/zinc/29/13/56/583291356.db2.gz AHKONLGFRWPVLL-PNESKVBLSA-N 1 0 209.333 2.145 20 30 BEEDRO C#Cc1cccnc1NCC[N@@H+](C)[C@H](C)CC ZINC000853257092 588729822 /nfs/dbraw/zinc/72/98/22/588729822.db2.gz LKFXLGFHEUNFBX-GFCCVEGCSA-N 1 0 231.343 2.205 20 30 BEEDRO CC(C)c1cccc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000853330807 588734012 /nfs/dbraw/zinc/73/40/12/588734012.db2.gz VZYGXSPYQVXAKE-NSHDSACASA-N 1 0 244.342 2.081 20 30 BEEDRO C[C@H]1CCCCN1N=C1CCC[N@H+](C)CC1 ZINC000853379654 588738771 /nfs/dbraw/zinc/73/87/71/588738771.db2.gz LGERMXIAMJLXRM-LBPRGKRZSA-N 1 0 223.364 2.333 20 30 BEEDRO C#Cc1cccnc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000853375174 588738992 /nfs/dbraw/zinc/73/89/92/588738992.db2.gz DLEDHZPJSGPUSS-GFCCVEGCSA-N 1 0 245.370 2.451 20 30 BEEDRO Cc1ccc(F)cc1N=NC1C[N@@H+](C)C[C@@H]1C ZINC000853394022 588740461 /nfs/dbraw/zinc/74/04/61/588740461.db2.gz WJFMJAAKHJSARD-JTQLQIEISA-N 1 0 235.306 2.484 20 30 BEEDRO C[NH+](C)CCSc1nc(C#N)c(Cl)s1 ZINC000853437578 588742525 /nfs/dbraw/zinc/74/25/25/588742525.db2.gz DGIPMGPLRPGDAV-UHFFFAOYSA-N 1 0 247.776 2.322 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000853537390 588748146 /nfs/dbraw/zinc/74/81/46/588748146.db2.gz WSCKIKTZFOGIDG-NSHDSACASA-N 1 0 237.372 2.417 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@H](CC)CC1=O ZINC000853598159 588750193 /nfs/dbraw/zinc/75/01/93/588750193.db2.gz MOZHAMHIRXGTHY-MCIONIFRSA-N 1 0 248.370 2.385 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@@H](C)[C@@H](C)C1=O ZINC000853598381 588750346 /nfs/dbraw/zinc/75/03/46/588750346.db2.gz QCURSOAXFTYIPR-SYQHCUMBSA-N 1 0 248.370 2.241 20 30 BEEDRO C#Cc1cccnc1NCCC[N@@H+](C)CC(C)C ZINC000853709997 588758528 /nfs/dbraw/zinc/75/85/28/588758528.db2.gz OTTUOYAMDIIQCZ-UHFFFAOYSA-N 1 0 245.370 2.453 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000111860546 588772497 /nfs/dbraw/zinc/77/24/97/588772497.db2.gz BEQBIGIOINHDSF-GFCCVEGCSA-N 1 0 247.404 2.124 20 30 BEEDRO C=CCCc1noc(C[C@@H](C[NH3+])CC(C)C)n1 ZINC000854159545 588777181 /nfs/dbraw/zinc/77/71/81/588777181.db2.gz FRSCLGUTMIQINV-NSHDSACASA-N 1 0 237.347 2.352 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000112150674 588783275 /nfs/dbraw/zinc/78/32/75/588783275.db2.gz BNHRTHJVWORVQL-GFCCVEGCSA-N 1 0 228.380 2.446 20 30 BEEDRO C=CCN(C(=O)C(=C)C[NH+](C)C)c1ccccc1 ZINC000854509591 588789882 /nfs/dbraw/zinc/78/98/82/588789882.db2.gz XAZSJMRGFLSNLG-UHFFFAOYSA-N 1 0 244.338 2.323 20 30 BEEDRO C#C[C@](C)(CC)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000854698169 588802788 /nfs/dbraw/zinc/80/27/88/588802788.db2.gz SRWQVWTVWNRQQH-TZMCWYRMSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)C[C@H](C)n1ccnc1 ZINC000890551232 582471166 /nfs/dbraw/zinc/47/11/66/582471166.db2.gz YNFBONMNWDZHNP-NWDGAFQWSA-N 1 0 233.315 2.011 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000890550436 582472279 /nfs/dbraw/zinc/47/22/79/582472279.db2.gz XKKQHAUJUMIFNU-NWDGAFQWSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000890553535 582473488 /nfs/dbraw/zinc/47/34/88/582473488.db2.gz VUYROHHHNQXVQC-AWEZNQCLSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC000890562514 582478164 /nfs/dbraw/zinc/47/81/64/582478164.db2.gz ABPNAASMAUOECH-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)CN[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000811651134 582481842 /nfs/dbraw/zinc/48/18/42/582481842.db2.gz ICMQOTAPCRWYDS-UHFFFAOYSA-N 1 0 232.331 2.037 20 30 BEEDRO C[C@H]1CC(=NOC/C=C\Cl)CC[N@@H+]1C ZINC000811669748 582487786 /nfs/dbraw/zinc/48/77/86/582487786.db2.gz UAUAKBYUAKPQQU-YBHBEIIISA-N 1 0 216.712 2.226 20 30 BEEDRO C=CCCCN(CC)C(=O)C[N@H+](C)C1CCC1 ZINC000890811012 582572210 /nfs/dbraw/zinc/57/22/10/582572210.db2.gz MYLVCTKWNQYDGZ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000890814107 582572767 /nfs/dbraw/zinc/57/27/67/582572767.db2.gz VFJUGAOIYMIKFX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](OC)C1)C(C)C ZINC000300996893 582602366 /nfs/dbraw/zinc/60/23/66/582602366.db2.gz WLHNQWQBXDGRIE-UPJWGTAASA-N 1 0 209.333 2.191 20 30 BEEDRO Cc1cc(CN(C)C[C@H](C)C#N)cnc1F ZINC000891716092 582713128 /nfs/dbraw/zinc/71/31/28/582713128.db2.gz LLCSCIGZJNBTTH-SECBINFHSA-N 1 0 221.279 2.121 20 30 BEEDRO CCN(Cc1ccc(OC)o1)C[C@H](C)C#N ZINC000891715856 582713167 /nfs/dbraw/zinc/71/31/67/582713167.db2.gz IXBPDIYGJCYLEX-SNVBAGLBSA-N 1 0 222.288 2.270 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cccc2[nH]c(=O)oc21 ZINC000891716311 582713599 /nfs/dbraw/zinc/71/35/99/582713599.db2.gz NYKMEMAFUHZJFP-VIFPVBQESA-N 1 0 245.282 2.125 20 30 BEEDRO Cc1cc(C#N)nc(NCC[NH+]2CCCCC2)c1 ZINC000891837106 582728114 /nfs/dbraw/zinc/72/81/14/582728114.db2.gz JBTSIVKMUDHRTI-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C=C1CC[NH+](Cc2cn(CC)nc2C)CC1 ZINC000891942130 582741616 /nfs/dbraw/zinc/74/16/16/582741616.db2.gz DQBRGDYTPDBIKD-UHFFFAOYSA-N 1 0 219.332 2.363 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)cc(C#N)n1 ZINC000892031879 582767019 /nfs/dbraw/zinc/76/70/19/582767019.db2.gz CTJIBQTZXJHJFU-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC(C)(C)CCNC(=O)NCCC(C)(C)[NH3+] ZINC000892268967 582822459 /nfs/dbraw/zinc/82/24/59/582822459.db2.gz AMDAUYZFMXQTRM-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCCC)c1ccccc1 ZINC000849045109 582840497 /nfs/dbraw/zinc/84/04/97/582840497.db2.gz DVEXSTQHBAULBI-ZDUSSCGKSA-N 1 0 229.327 2.275 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1nccs1 ZINC000390140787 582840992 /nfs/dbraw/zinc/84/09/92/582840992.db2.gz OPKDUELETIHJQS-JQWIXIFHSA-N 1 0 238.356 2.214 20 30 BEEDRO C=CC[N@@H+](CCC(=O)N1CCC[C@H]1C)C(C)C ZINC000743841654 582858350 /nfs/dbraw/zinc/85/83/50/582858350.db2.gz QFDAEJDFOBMEGH-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C#C[C@@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000852216319 583010164 /nfs/dbraw/zinc/01/01/64/583010164.db2.gz ZETKKPQRSLTDJV-OWCLPIDISA-N 1 0 248.414 2.310 20 30 BEEDRO C#C[C@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000852216320 583010437 /nfs/dbraw/zinc/01/04/37/583010437.db2.gz ZETKKPQRSLTDJV-XHSDSOJGSA-N 1 0 248.414 2.310 20 30 BEEDRO CCc1onc(C)c1C[NH2+]CCCCC#N ZINC000892930662 583010989 /nfs/dbraw/zinc/01/09/89/583010989.db2.gz YQCWUUKKIFIIGA-UHFFFAOYSA-N 1 0 221.304 2.329 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccnc(Cl)c1 ZINC000853395115 583049199 /nfs/dbraw/zinc/04/91/99/583049199.db2.gz LKTYDZQXYICPHM-QMMMGPOBSA-N 1 0 238.722 2.084 20 30 BEEDRO CCCCCCCCC(=O)NC[C@H](C)[NH3+] ZINC000114576671 588875979 /nfs/dbraw/zinc/87/59/79/588875979.db2.gz LXJFMHZTXVOFGY-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CSCCC ZINC000893284364 583085172 /nfs/dbraw/zinc/08/51/72/583085172.db2.gz QHLKGZDXVSOFBQ-RYUDHWBXSA-N 1 0 231.405 2.292 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775340538 583086967 /nfs/dbraw/zinc/08/69/67/583086967.db2.gz HBTRFFZJOWNITF-LSDHHAIUSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccsc1)[C@@H]1CCCO1 ZINC000775571102 583093182 /nfs/dbraw/zinc/09/31/82/583093182.db2.gz AGCIATRAKLTUFF-UBHSHLNASA-N 1 0 249.379 2.450 20 30 BEEDRO COCCCC1(C[NH2+]C[C@H](C)C#N)CCC1 ZINC000893544122 583160113 /nfs/dbraw/zinc/16/01/13/583160113.db2.gz JSMZTERSHNOFHB-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO CCCCCCCCCCNC(=O)C[NH3+] ZINC000100312056 583180043 /nfs/dbraw/zinc/18/00/43/583180043.db2.gz OJAVJENYLIGUPN-UHFFFAOYSA-N 1 0 214.353 2.202 20 30 BEEDRO C[C@@H]1[C@H](C)N(Cc2csc(C#N)c2)CC[N@H+]1C ZINC000893668724 583192366 /nfs/dbraw/zinc/19/23/66/583192366.db2.gz HIEFZTRFUPQHKD-MNOVXSKESA-N 1 0 249.383 2.144 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2nccnc2C)C1 ZINC000857049628 588884274 /nfs/dbraw/zinc/88/42/74/588884274.db2.gz NKZCBYSPRTUSOD-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1 ZINC000857060892 588884598 /nfs/dbraw/zinc/88/45/98/588884598.db2.gz FUQPQNWIFWMQCZ-BBRMVZONSA-N 1 0 243.350 2.118 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)cc1 ZINC000840980270 583214655 /nfs/dbraw/zinc/21/46/55/583214655.db2.gz WOYOKHFCTXPOES-HOTGVXAUSA-N 1 0 243.350 2.309 20 30 BEEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)C[NH+](C)C)c1 ZINC000893856568 583233821 /nfs/dbraw/zinc/23/38/21/583233821.db2.gz KXAWTBCPAGZBBV-JTQLQIEISA-N 1 0 235.306 2.368 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CCC23CCOCC3)cs1 ZINC000894047466 583287739 /nfs/dbraw/zinc/28/77/39/583287739.db2.gz APSQQGFJEKUGIX-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1C[C@]1(C)Br ZINC000894060769 583292680 /nfs/dbraw/zinc/29/26/80/583292680.db2.gz YAGFKXVDHBZDHS-AEJSXWLSSA-N 1 0 230.149 2.113 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000877512876 583320145 /nfs/dbraw/zinc/32/01/45/583320145.db2.gz FAXKDFXOVHPLEF-ZIAGYGMSSA-N 1 0 228.339 2.330 20 30 BEEDRO CCOc1ccc(C[NH2+]CC2(CC#N)CC2)o1 ZINC000894198288 583337738 /nfs/dbraw/zinc/33/77/38/583337738.db2.gz YKWLZJYDHYAETL-UHFFFAOYSA-N 1 0 234.299 2.462 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000877617185 583339802 /nfs/dbraw/zinc/33/98/02/583339802.db2.gz MMAIBSTXKWRZNQ-LBPRGKRZSA-N 1 0 223.385 2.475 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000877834818 583349518 /nfs/dbraw/zinc/34/95/18/583349518.db2.gz ZSQUFEVAOOUNJW-NMFUWQPSSA-N 1 0 233.355 2.336 20 30 BEEDRO C[N@@H+]1CCCC(=NOCCC2CC2)CC1 ZINC000814245377 583351429 /nfs/dbraw/zinc/35/14/29/583351429.db2.gz QDFYQIBKCDSXHG-UHFFFAOYSA-N 1 0 210.321 2.275 20 30 BEEDRO N#CCC1(CN2CCC[C@H]2c2ncc[nH]2)CC1 ZINC000878338444 583370776 /nfs/dbraw/zinc/37/07/76/583370776.db2.gz SWCYWCBIAMXKGF-NSHDSACASA-N 1 0 230.315 2.240 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000878406960 583372680 /nfs/dbraw/zinc/37/26/80/583372680.db2.gz HLUMSNSJDYOPKA-QWHCGFSZSA-N 1 0 239.359 2.426 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000878503836 583377322 /nfs/dbraw/zinc/37/73/22/583377322.db2.gz YSEKOAOUUVJYAR-MELADBBJSA-N 1 0 239.359 2.078 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)cc1C ZINC000894383430 583442439 /nfs/dbraw/zinc/44/24/39/583442439.db2.gz KITWTYRHAANLAC-NSHDSACASA-N 1 0 203.285 2.115 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)[C@H]1COc2ccccc2C1 ZINC000894383409 583442726 /nfs/dbraw/zinc/44/27/26/583442726.db2.gz JQSXIFKGJANVJE-OUCADQQQSA-N 1 0 229.323 2.238 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000894383076 583442991 /nfs/dbraw/zinc/44/29/91/583442991.db2.gz IOBYQFPRIVAYGI-QJPTWQEYSA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000894385309 583443259 /nfs/dbraw/zinc/44/32/59/583443259.db2.gz ZRQYOPYAODDWBL-GFCCVEGCSA-N 1 0 212.296 2.286 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCc1ccc(C)c(C)c1 ZINC000894385136 583443358 /nfs/dbraw/zinc/44/33/58/583443358.db2.gz XOCYLZRIDAVCMV-CYBMUJFWSA-N 1 0 201.313 2.457 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000894387235 583444332 /nfs/dbraw/zinc/44/43/32/583444332.db2.gz LCBLRRXFNGRSJH-GFCCVEGCSA-N 1 0 218.325 2.367 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2[nH]c(=O)oc21)C(C)C ZINC000894387689 583444863 /nfs/dbraw/zinc/44/48/63/583444863.db2.gz TZGZQZOZIZGJQP-NSHDSACASA-N 1 0 244.294 2.281 20 30 BEEDRO CN(CC[NH+]1CCCC1)Cc1csc(C#N)c1 ZINC000894456898 583464188 /nfs/dbraw/zinc/46/41/88/583464188.db2.gz UWQUDTTWNFBTER-UHFFFAOYSA-N 1 0 249.383 2.147 20 30 BEEDRO C=CCCSCCNc1nc(N)cc(C)[nH+]1 ZINC000894518843 583476706 /nfs/dbraw/zinc/47/67/06/583476706.db2.gz QEEZKPYLUWNORK-UHFFFAOYSA-N 1 0 238.360 2.088 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000894518308 583476924 /nfs/dbraw/zinc/47/69/24/583476924.db2.gz XHCQOJMPVJIAMJ-BBZRCZKMSA-N 1 0 247.382 2.437 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894533575 583478756 /nfs/dbraw/zinc/47/87/56/583478756.db2.gz SVCLFHALOUSCIU-UHFFFAOYSA-N 1 0 231.299 2.276 20 30 BEEDRO CC[N@@H+](Cc1csc(C#N)c1)C[C@@H](C)OC ZINC000894577415 583487316 /nfs/dbraw/zinc/48/73/16/583487316.db2.gz WGPKVSXFTHJBSH-SNVBAGLBSA-N 1 0 238.356 2.477 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CSCCC ZINC000894640207 583498677 /nfs/dbraw/zinc/49/86/77/583498677.db2.gz YKYBLSVSXKANRE-CYBMUJFWSA-N 1 0 242.432 2.063 20 30 BEEDRO CC(C)N(Cc1csc(C#N)c1)C1COC1 ZINC000894659635 583504607 /nfs/dbraw/zinc/50/46/07/583504607.db2.gz YACFIIPVOVZZFX-UHFFFAOYSA-N 1 0 236.340 2.229 20 30 BEEDRO CCCCCCCCNC(=O)NC/C=C\C[NH3+] ZINC000841863327 583505846 /nfs/dbraw/zinc/50/58/46/583505846.db2.gz AEHPLZNVLHFKLZ-CLFYSBASSA-N 1 0 241.379 2.161 20 30 BEEDRO Cc1nnc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)s1 ZINC000894692034 583507572 /nfs/dbraw/zinc/50/75/72/583507572.db2.gz OHJMGHOFJKLKRC-UWVGGRQHSA-N 1 0 236.344 2.019 20 30 BEEDRO C=CC(C)(C)CCNc1cc[nH+]cc1CO ZINC000894697996 583510562 /nfs/dbraw/zinc/51/05/62/583510562.db2.gz UGXQDRHCJLHJIO-UHFFFAOYSA-N 1 0 220.316 2.010 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894775212 583518329 /nfs/dbraw/zinc/51/83/29/583518329.db2.gz HEXCXZLVXKQTMV-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798249 583522117 /nfs/dbraw/zinc/52/21/17/583522117.db2.gz DABSKSIGDZINKX-CHWSQXEVSA-N 1 0 227.348 2.474 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C#N)ccc1N(C)C ZINC000894861228 583534536 /nfs/dbraw/zinc/53/45/36/583534536.db2.gz CDDQURHKTPMBES-NWDGAFQWSA-N 1 0 243.354 2.464 20 30 BEEDRO N#Cc1cc(CN2C[C@@H]3C[C@H]2CS3)cs1 ZINC000894867188 583538260 /nfs/dbraw/zinc/53/82/60/583538260.db2.gz LJVBBGWXPRHLLA-ONGXEEELSA-N 1 0 236.365 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000894874671 583541229 /nfs/dbraw/zinc/54/12/29/583541229.db2.gz WEROXUBINPQONF-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C=CCOCC[N@@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880461912 583541636 /nfs/dbraw/zinc/54/16/36/583541636.db2.gz KUYPQCYDRWWQBJ-HNNXBMFYSA-N 1 0 249.354 2.245 20 30 BEEDRO C#CCCC[N@@H+](CC)[C@@H](CO)c1ccccc1 ZINC000880461557 583541762 /nfs/dbraw/zinc/54/17/62/583541762.db2.gz INQSSNJCUKTREZ-HNNXBMFYSA-N 1 0 231.339 2.455 20 30 BEEDRO CC1(CNN=C2CC[N@@H+]3CCC[C@@H]23)CCCC1 ZINC000793082347 583552596 /nfs/dbraw/zinc/55/25/96/583552596.db2.gz WMLPKYKSBGVRIO-ZDUSSCGKSA-N 1 0 235.375 2.380 20 30 BEEDRO C[C@@H](N=NC1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000793114627 583553401 /nfs/dbraw/zinc/55/34/01/583553401.db2.gz IDBKZUTZOLQRAW-GHMZBOCLSA-N 1 0 225.380 2.481 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(OCC)OCC ZINC000123695143 583569245 /nfs/dbraw/zinc/56/92/45/583569245.db2.gz HJKPJOPKXDAITE-UHFFFAOYSA-N 1 0 215.337 2.284 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC000895095204 583587817 /nfs/dbraw/zinc/58/78/17/583587817.db2.gz GYOUVJMMDTYEMY-KBPBESRZSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CCC(F)(F)F ZINC000895096145 583588046 /nfs/dbraw/zinc/58/80/46/583588046.db2.gz MJZPISYNHIHUDA-ZJUUUORDSA-N 1 0 237.265 2.081 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000793552642 583590070 /nfs/dbraw/zinc/59/00/70/583590070.db2.gz ZVXMWFJDJHFPIF-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO CC(C)CON=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000749636545 583595784 /nfs/dbraw/zinc/59/57/84/583595784.db2.gz PMETURKCUUOKLQ-SNVBAGLBSA-N 1 0 210.321 2.272 20 30 BEEDRO CC(C)CON=Cc1cnc(N2CCCC2)nc1 ZINC000749631251 583596508 /nfs/dbraw/zinc/59/65/08/583596508.db2.gz JMQIHLDUYTXZTI-UHFFFAOYSA-N 1 0 248.330 2.083 20 30 BEEDRO CC[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C(=O)OC ZINC000895134783 583602076 /nfs/dbraw/zinc/60/20/76/583602076.db2.gz ABLWIXZQKIDQFY-GHMZBOCLSA-N 1 0 240.347 2.104 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161902 583610391 /nfs/dbraw/zinc/61/03/91/583610391.db2.gz VKJKHMMMAKLYIT-VXGBXAGGSA-N 1 0 240.347 2.091 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000857868203 588916746 /nfs/dbraw/zinc/91/67/46/588916746.db2.gz QVRSUJGABMJQAC-DRZSPHRISA-N 1 0 244.342 2.459 20 30 BEEDRO COc1cc(C)cc(C[NH+]2CC(CC#N)C2)c1O ZINC000895253806 583633868 /nfs/dbraw/zinc/63/38/68/583633868.db2.gz KTUZXKVLEPSOQP-UHFFFAOYSA-N 1 0 246.310 2.055 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000895280410 583635213 /nfs/dbraw/zinc/63/52/13/583635213.db2.gz UHLJRCZGIZPNPW-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C#Cc1ccc(CNCC[C@@H](C)[NH+](C)C)cc1 ZINC000895291740 583636789 /nfs/dbraw/zinc/63/67/89/583636789.db2.gz CINORUDQGPHUOL-CYBMUJFWSA-N 1 0 230.355 2.098 20 30 BEEDRO C=CCN[NH+]=C(C)c1ccccc1N(C)C ZINC000794999275 583645547 /nfs/dbraw/zinc/64/55/47/583645547.db2.gz FONALMGQLPLREQ-UHFFFAOYSA-N 1 0 217.316 2.252 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000895328852 583651821 /nfs/dbraw/zinc/65/18/21/583651821.db2.gz BTZMOQDTSPHOQU-UHFFFAOYSA-N 1 0 237.299 2.075 20 30 BEEDRO CSCCO[NH+]=Cc1ccc(N(C)C)cc1 ZINC000727470365 583656372 /nfs/dbraw/zinc/65/63/72/583656372.db2.gz UDMKFFHXQQMEFX-UHFFFAOYSA-N 1 0 238.356 2.466 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(OCC)o1 ZINC000895376609 583661747 /nfs/dbraw/zinc/66/17/47/583661747.db2.gz FPVZZCAWVQDCEE-UHFFFAOYSA-N 1 0 239.315 2.361 20 30 BEEDRO C#CC1(O)CC[NH+](CC2CCCCCC2)CC1 ZINC000895383264 583663150 /nfs/dbraw/zinc/66/31/50/583663150.db2.gz QEFFZDLKCFPACT-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2[nH]nc(C)c2C)C1 ZINC000895390069 583664067 /nfs/dbraw/zinc/66/40/67/583664067.db2.gz REQKZBBQJKEKCI-GFCCVEGCSA-N 1 0 219.332 2.425 20 30 BEEDRO CC(=O)OC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000895402108 583665102 /nfs/dbraw/zinc/66/51/02/583665102.db2.gz BDHRWJLGYJTQPO-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1CCOCC1 ZINC000895437256 583674747 /nfs/dbraw/zinc/67/47/47/583674747.db2.gz YFQWXBMELVOLNL-GXTWGEPZSA-N 1 0 248.370 2.333 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)COC(C)=O ZINC000895561797 583691656 /nfs/dbraw/zinc/69/16/56/583691656.db2.gz UNCRDDRTEIRQBJ-SNVBAGLBSA-N 1 0 213.321 2.130 20 30 BEEDRO C#CCOc1ccccc1C[N@H+]1CC[C@H](CF)C1 ZINC000895573813 583692758 /nfs/dbraw/zinc/69/27/58/583692758.db2.gz NAPRWXQMKUYJDU-CYBMUJFWSA-N 1 0 247.313 2.490 20 30 BEEDRO C#CC1([NH2+]CCC(C)(C)C(=O)OC)CCCC1 ZINC000895674700 583704338 /nfs/dbraw/zinc/70/43/38/583704338.db2.gz DKPCMDFMOLAFEA-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000895672898 583706670 /nfs/dbraw/zinc/70/66/70/583706670.db2.gz ZKUDBWIEGSYOQN-GJZGRUSLSA-N 1 0 243.350 2.344 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000895672900 583706722 /nfs/dbraw/zinc/70/67/22/583706722.db2.gz ZKUDBWIEGSYOQN-LSDHHAIUSA-N 1 0 243.350 2.344 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1CCc2ccccc21 ZINC000895672899 583706757 /nfs/dbraw/zinc/70/67/57/583706757.db2.gz ZKUDBWIEGSYOQN-HUUCEWRRSA-N 1 0 243.350 2.344 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000895672194 583706972 /nfs/dbraw/zinc/70/69/72/583706972.db2.gz ORALTENLYWOSQN-QWHCGFSZSA-N 1 0 236.359 2.333 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895778660 583726464 /nfs/dbraw/zinc/72/64/64/583726464.db2.gz CECKBULDDZQHOR-SDDRHHMPSA-N 1 0 224.373 2.221 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000895791344 583728075 /nfs/dbraw/zinc/72/80/75/583728075.db2.gz RAXWPDQJGPOIQS-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C#CC[NH+]1CCC(Nc2ncccc2Cl)CC1 ZINC000895808542 583729293 /nfs/dbraw/zinc/72/92/93/583729293.db2.gz JUGQJIUAOPXBDA-UHFFFAOYSA-N 1 0 249.745 2.245 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000147753130 583734111 /nfs/dbraw/zinc/73/41/11/583734111.db2.gz GQRNATQLTSMVHB-CYBMUJFWSA-N 1 0 203.260 2.426 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895848829 583736654 /nfs/dbraw/zinc/73/66/54/583736654.db2.gz URGVICIZLKAEQQ-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000895924482 583747321 /nfs/dbraw/zinc/74/73/21/583747321.db2.gz VRQRUZBNBDQIHD-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CSCCC ZINC000896035618 583764831 /nfs/dbraw/zinc/76/48/31/583764831.db2.gz WQMRLIHJTFOTSK-VXGBXAGGSA-N 1 0 231.405 2.435 20 30 BEEDRO C[N@H+](CCCF)Cc1csc(C#N)c1 ZINC000896069175 583767858 /nfs/dbraw/zinc/76/78/58/583767858.db2.gz AQNCOIVYUYCLJY-UHFFFAOYSA-N 1 0 212.293 2.411 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858038632 588930762 /nfs/dbraw/zinc/93/07/62/588930762.db2.gz NYPCTTOXPYYXFI-CYBMUJFWSA-N 1 0 232.327 2.419 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858031731 588931067 /nfs/dbraw/zinc/93/10/67/588931067.db2.gz HREBYZNMEGWYNJ-GFCCVEGCSA-N 1 0 218.300 2.029 20 30 BEEDRO CO[C@]1(C[NH2+]C[C@@H](C)CCC#N)CCSC1 ZINC000896576255 583814726 /nfs/dbraw/zinc/81/47/26/583814726.db2.gz YQKUYJWHAJOPME-RYUDHWBXSA-N 1 0 242.388 2.038 20 30 BEEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)CCO1 ZINC000896583826 583815474 /nfs/dbraw/zinc/81/54/74/583815474.db2.gz IAKJISJZQUAGJG-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)cc1 ZINC000896586305 583815725 /nfs/dbraw/zinc/81/57/25/583815725.db2.gz WGMCSSRPGCDNQT-ZDUSSCGKSA-N 1 0 229.323 2.279 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858142586 588935221 /nfs/dbraw/zinc/93/52/21/588935221.db2.gz GIWGQVKOSZDHMG-DRZSPHRISA-N 1 0 223.385 2.377 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(C)CCCCO1 ZINC000896924040 583858415 /nfs/dbraw/zinc/85/84/15/583858415.db2.gz JQMMVDVDNCKXBD-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO CCO[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000897067344 583876661 /nfs/dbraw/zinc/87/66/61/583876661.db2.gz HXHBUZVZFFOOSD-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CC[N@H+](Cc1cnn(C2CCC2)c1)C(C)C ZINC000897171327 583888905 /nfs/dbraw/zinc/88/89/05/583888905.db2.gz WDDGMKOLBISKQD-UHFFFAOYSA-N 1 0 231.343 2.452 20 30 BEEDRO C#CC[N@H+](Cc1cc(F)ccc1O)C(C)C ZINC000897170970 583888914 /nfs/dbraw/zinc/88/89/14/583888914.db2.gz MZAGVWHAMSPCSF-UHFFFAOYSA-N 1 0 221.275 2.375 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H]1CC=CCC1 ZINC000858332068 588946026 /nfs/dbraw/zinc/94/60/26/588946026.db2.gz MPOUHMRYQPTTCO-KGLIPLIRSA-N 1 0 221.344 2.361 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(OC)cc1 ZINC000858332248 588946032 /nfs/dbraw/zinc/94/60/32/588946032.db2.gz QMQWNZVDJAHAQW-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO CC[C@H](C[NH+](C)C)OC(=O)C(C#N)(CC)CC ZINC000870548142 583922104 /nfs/dbraw/zinc/92/21/04/583922104.db2.gz KCOICNGWUAXKEE-LLVKDONJSA-N 1 0 240.347 2.200 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccs1 ZINC000858332392 588946206 /nfs/dbraw/zinc/94/62/06/588946206.db2.gz UJGSITVFZPCPGV-LLVKDONJSA-N 1 0 223.341 2.266 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H]1CC=CCC1 ZINC000858332069 588946096 /nfs/dbraw/zinc/94/60/96/588946096.db2.gz MPOUHMRYQPTTCO-UONOGXRCSA-N 1 0 221.344 2.361 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000897388317 583947502 /nfs/dbraw/zinc/94/75/02/583947502.db2.gz BJFIPNBLBHOKCK-MBNYWOFBSA-N 1 0 234.343 2.227 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccn(C)n2)CC1 ZINC000872140205 583947913 /nfs/dbraw/zinc/94/79/13/583947913.db2.gz ZHAUDAJNZMKQGV-JHJVBQTASA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000872139647 583947985 /nfs/dbraw/zinc/94/79/85/583947985.db2.gz MUZAKZNPJSNZMF-ZUWCUPBKSA-N 1 0 221.344 2.334 20 30 BEEDRO CC(C)(C)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897398414 583949445 /nfs/dbraw/zinc/94/94/45/583949445.db2.gz DGWGADPKIXSIBN-UHFFFAOYSA-N 1 0 232.331 2.001 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@@H]1CCCC[C@H]1C ZINC000203025419 583962186 /nfs/dbraw/zinc/96/21/86/583962186.db2.gz KNDALJCRRAVXMQ-MNOVXSKESA-N 1 0 211.353 2.125 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000862445381 583962975 /nfs/dbraw/zinc/96/29/75/583962975.db2.gz SBBFIDRCPVFMGF-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862550507 583963674 /nfs/dbraw/zinc/96/36/74/583963674.db2.gz MOZFOPJSMQMLRK-GXSJLCMTSA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000862548358 583963736 /nfs/dbraw/zinc/96/37/36/583963736.db2.gz DJNNYOYUAKJRDW-WUHRBBMRSA-N 1 0 209.333 2.049 20 30 BEEDRO C[C@H](C[C@H](O)c1ccco1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000799719690 583965738 /nfs/dbraw/zinc/96/57/38/583965738.db2.gz UZTQHVJSUBTTCD-XQHKEYJVSA-N 1 0 248.326 2.373 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000799720929 583966157 /nfs/dbraw/zinc/96/61/57/583966157.db2.gz YVMXVNWPFMFIDP-AAEUAGOBSA-N 1 0 243.285 2.479 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000799716823 583966166 /nfs/dbraw/zinc/96/61/66/583966166.db2.gz YRYNRWHVTVPLDE-LERXQTSPSA-N 1 0 248.301 2.141 20 30 BEEDRO CCC(CC)NC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000864452467 584005433 /nfs/dbraw/zinc/00/54/33/584005433.db2.gz GZRDVGRRRMJTMY-UHFFFAOYSA-N 1 0 244.342 2.361 20 30 BEEDRO C#CCCC[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000858366755 588949055 /nfs/dbraw/zinc/94/90/55/588949055.db2.gz BCOJOGPCPGNUDJ-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000858381927 588950299 /nfs/dbraw/zinc/95/02/99/588950299.db2.gz PPXHAXGWIOAHGH-UHFFFAOYSA-N 1 0 245.750 2.450 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCCC ZINC000729809781 584026270 /nfs/dbraw/zinc/02/62/70/584026270.db2.gz PFXZUGPDJRFCLH-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO C#CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000729852950 584027438 /nfs/dbraw/zinc/02/74/38/584027438.db2.gz YJRXNLPVISEJGO-AWEZNQCLSA-N 1 0 215.296 2.083 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C/CCC)CC1 ZINC000729977176 584031817 /nfs/dbraw/zinc/03/18/17/584031817.db2.gz MJVMTFOXCQPWBH-VOTSOKGWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1 ZINC000897685293 584040631 /nfs/dbraw/zinc/04/06/31/584040631.db2.gz IGDJBTBBSRHGHO-WFASDCNBSA-N 1 0 247.338 2.064 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2ccoc2)CC1 ZINC000730020154 584043189 /nfs/dbraw/zinc/04/31/89/584043189.db2.gz YYRCAMDTGRPHMQ-UHFFFAOYSA-N 1 0 234.343 2.410 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)n1 ZINC000897957028 584065980 /nfs/dbraw/zinc/06/59/80/584065980.db2.gz AKXUCNOHVVUGBH-DVVUODLYSA-N 1 0 233.340 2.293 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc2nonc2c1 ZINC000897990577 584072243 /nfs/dbraw/zinc/07/22/43/584072243.db2.gz AANFOLWQCJLRBD-SNVBAGLBSA-N 1 0 244.298 2.252 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000897991920 584073078 /nfs/dbraw/zinc/07/30/78/584073078.db2.gz VOULXKUNETYLGM-ONGXEEELSA-N 1 0 242.282 2.005 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cn(C)nc2OC)C1 ZINC000898026099 584076986 /nfs/dbraw/zinc/07/69/86/584076986.db2.gz VSXUNNJCUHPBII-AAEUAGOBSA-N 1 0 249.358 2.263 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC(C)(C)C1 ZINC000898033959 584078585 /nfs/dbraw/zinc/07/85/85/584078585.db2.gz FCYCSDLPYJTAKQ-CYBMUJFWSA-N 1 0 237.391 2.248 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cn(C)cn2)C1 ZINC000898043290 584080471 /nfs/dbraw/zinc/08/04/71/584080471.db2.gz KWQFHYDRGTXRNR-VXGBXAGGSA-N 1 0 219.332 2.255 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(CCO)cc1 ZINC000898170435 584088172 /nfs/dbraw/zinc/08/81/72/584088172.db2.gz GNRHOTHBCKYATK-ZDUSSCGKSA-N 1 0 246.354 2.251 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2COC[C@@H]2C2CC2)C1 ZINC000898381691 584114461 /nfs/dbraw/zinc/11/44/61/584114461.db2.gz KYHKTEIQPUVPLU-YXCITZCRSA-N 1 0 234.343 2.083 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC000898380901 584115305 /nfs/dbraw/zinc/11/53/05/584115305.db2.gz ACLOBTZVABTKQC-CVEARBPZSA-N 1 0 241.334 2.183 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC000898380902 584115383 /nfs/dbraw/zinc/11/53/83/584115383.db2.gz ACLOBTZVABTKQC-HOTGVXAUSA-N 1 0 241.334 2.183 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC=C(C(=O)OC)C1 ZINC000858471735 588958560 /nfs/dbraw/zinc/95/85/60/588958560.db2.gz DATMEGNGIKIJTC-GMXVVIOVSA-N 1 0 237.343 2.439 20 30 BEEDRO COc1cc(C[NH2+]C/C=C\Cl)ccc1C#N ZINC000898426834 584132457 /nfs/dbraw/zinc/13/24/57/584132457.db2.gz AMPWGJRYMVWPPZ-DJWKRKHSSA-N 1 0 236.702 2.409 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000898460270 584137077 /nfs/dbraw/zinc/13/70/77/584137077.db2.gz JEYXEDHZZHOKAF-UHFFFAOYSA-N 1 0 249.310 2.478 20 30 BEEDRO C=CC(C)(C)[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000898460541 584137738 /nfs/dbraw/zinc/13/77/38/584137738.db2.gz NNPKYAHYHRDQOR-GHMZBOCLSA-N 1 0 243.322 2.174 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000898460532 584137918 /nfs/dbraw/zinc/13/79/18/584137918.db2.gz NIJPRFNLKXNPBF-UHFFFAOYSA-N 1 0 236.315 2.246 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000898460947 584138012 /nfs/dbraw/zinc/13/80/12/584138012.db2.gz WWPOAAJMXFORCP-UHFFFAOYSA-N 1 0 233.267 2.440 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(CO)cc1 ZINC000898460839 584138028 /nfs/dbraw/zinc/13/80/28/584138028.db2.gz ULDKSPWZGUSNCH-UHFFFAOYSA-N 1 0 205.301 2.233 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(OCCOC)o1 ZINC000898461385 584138259 /nfs/dbraw/zinc/13/82/59/584138259.db2.gz BKNOWFUPCSQOMZ-UHFFFAOYSA-N 1 0 239.315 2.359 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc(CCOC)s1 ZINC000898460576 584138262 /nfs/dbraw/zinc/13/82/62/584138262.db2.gz OVRVSYBTFPKWHQ-UHFFFAOYSA-N 1 0 240.372 2.386 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000898460500 584138305 /nfs/dbraw/zinc/13/83/05/584138305.db2.gz MMILOWMWNNZRRX-UHFFFAOYSA-N 1 0 229.274 2.202 20 30 BEEDRO C[C@@H](NC(=[NH2+])NCC1CCC(C#N)CC1)C1CC1 ZINC000899271723 584191567 /nfs/dbraw/zinc/19/15/67/584191567.db2.gz LMODDCRPZWGFIW-VOMCLLRMSA-N 1 0 248.374 2.229 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899272912 584192522 /nfs/dbraw/zinc/19/25/22/584192522.db2.gz RQEQDEJVHYKUSR-VIFPVBQESA-N 1 0 209.337 2.111 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1C ZINC000899910915 584252815 /nfs/dbraw/zinc/25/28/15/584252815.db2.gz LXRWJIMJWSOSEG-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1 ZINC000899910327 584253168 /nfs/dbraw/zinc/25/31/68/584253168.db2.gz FAWROOAONIWMNG-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(OC)cc1 ZINC000899911614 584253438 /nfs/dbraw/zinc/25/34/38/584253438.db2.gz RZPPNUIOFPYXEW-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(C)cc1 ZINC000899941894 584258874 /nfs/dbraw/zinc/25/88/74/584258874.db2.gz IBJYRBYLUWNJAA-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)CC ZINC000900364474 584296481 /nfs/dbraw/zinc/29/64/81/584296481.db2.gz HSTCRVDAONCPBJ-PWSUYJOCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[N@@H+](CC)CC1 ZINC000900634062 584334113 /nfs/dbraw/zinc/33/41/13/584334113.db2.gz QTEJMKJWSVNQIY-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[C@H](C)CC ZINC000900864827 584358939 /nfs/dbraw/zinc/35/89/39/584358939.db2.gz RUWXYEWJWTVNOA-DGCLKSJQSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000901017902 584377470 /nfs/dbraw/zinc/37/74/70/584377470.db2.gz BPXYWAVEKWDTFD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC(C(C)C)C(C)C ZINC000901141198 584389902 /nfs/dbraw/zinc/38/99/02/584389902.db2.gz ZOTMMHUFKSTZBK-UHFFFAOYSA-N 1 0 240.391 2.291 20 30 BEEDRO CC(=NN[C@H]1CCCCC1(C)C)c1c[nH]c(N)[nH+]1 ZINC000901231902 584404043 /nfs/dbraw/zinc/40/40/43/584404043.db2.gz QJOCBVZLCQLIGM-NSHDSACASA-N 1 0 249.362 2.274 20 30 BEEDRO CCNN=C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000901282571 584415336 /nfs/dbraw/zinc/41/53/36/584415336.db2.gz LLJZDQMULMVFKD-CQSZACIVSA-N 1 0 233.359 2.101 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000901288396 584422511 /nfs/dbraw/zinc/42/25/11/584422511.db2.gz UVDBQLXYRQZCPJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]1CC[C@@H](C=Nn2nnc3c2CCCC3)C1 ZINC000901331440 584424947 /nfs/dbraw/zinc/42/49/47/584424947.db2.gz NZDHVDWIJAROJW-WDEREUQCSA-N 1 0 232.331 2.427 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C(=C)CC[NH+](C)C ZINC000901334575 584426539 /nfs/dbraw/zinc/42/65/39/584426539.db2.gz AXNRUGNACUOJGS-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902474629 584601998 /nfs/dbraw/zinc/60/19/98/584601998.db2.gz GQCFSYJFSGHUAX-QPKOPYBWSA-N 1 0 241.338 2.102 20 30 BEEDRO CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000902446551 584604236 /nfs/dbraw/zinc/60/42/36/584604236.db2.gz UERMZYMLXVUMPG-MBHSVXNSSA-N 1 0 235.375 2.046 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1NC ZINC000902482159 584623666 /nfs/dbraw/zinc/62/36/66/584623666.db2.gz JWVZAWLRTPMKRG-ZDUSSCGKSA-N 1 0 234.343 2.063 20 30 BEEDRO N#C[C@@H]1CCC[C@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902482140 584623715 /nfs/dbraw/zinc/62/37/15/584623715.db2.gz JPOYHLAELHXKSF-HZSPNIEDSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(CC)cn1 ZINC000902484152 584624712 /nfs/dbraw/zinc/62/47/12/584624712.db2.gz DWEKTZHOCGRJKX-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1NC ZINC000902585621 584639902 /nfs/dbraw/zinc/63/99/02/584639902.db2.gz SJMNSGRCOMUVKH-KGLIPLIRSA-N 1 0 232.327 2.161 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccccc1NC ZINC000902644461 584651006 /nfs/dbraw/zinc/65/10/06/584651006.db2.gz NFJXPRCYBSMMKL-ZDUSSCGKSA-N 1 0 234.343 2.145 20 30 BEEDRO COCCCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902779562 584669913 /nfs/dbraw/zinc/66/99/13/584669913.db2.gz WNVHOJLRVKWCTA-GFCCVEGCSA-N 1 0 247.342 2.421 20 30 BEEDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902801824 584670728 /nfs/dbraw/zinc/67/07/28/584670728.db2.gz FNHSRYHMELFQQY-RISCZKNCSA-N 1 0 247.342 2.155 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902802141 584670953 /nfs/dbraw/zinc/67/09/53/584670953.db2.gz IQOGFYVFMYPQGG-FZMZJTMJSA-N 1 0 247.342 2.011 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CO)[C@@]1(C)CCCCO1 ZINC000902822281 584676157 /nfs/dbraw/zinc/67/61/57/584676157.db2.gz UTMMWRCDQCDZAA-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO CC[C@@H](CCO)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902839293 584679984 /nfs/dbraw/zinc/67/99/84/584679984.db2.gz QDVKDLNULGOAAR-RYUDHWBXSA-N 1 0 247.342 2.012 20 30 BEEDRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902886725 584688826 /nfs/dbraw/zinc/68/88/26/584688826.db2.gz TXQLKSPHSARBGN-ZJUUUORDSA-N 1 0 235.356 2.355 20 30 BEEDRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902886724 584689137 /nfs/dbraw/zinc/68/91/37/584689137.db2.gz TXQLKSPHSARBGN-VHSXEESVSA-N 1 0 235.356 2.355 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902895127 584690559 /nfs/dbraw/zinc/69/05/59/584690559.db2.gz USDJMLHYNUUCIF-AVGNSLFASA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)O)[C@]1(C)CCCCO1 ZINC000902892915 584690614 /nfs/dbraw/zinc/69/06/14/584690614.db2.gz QNBLOCOUSIJODX-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902966037 584701749 /nfs/dbraw/zinc/70/17/49/584701749.db2.gz YCUZHMBIRLORBW-LLVKDONJSA-N 1 0 247.342 2.419 20 30 BEEDRO C#C[C@H]([NH2+]C1C[C@@H]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000902958790 584706102 /nfs/dbraw/zinc/70/61/02/584706102.db2.gz UBAGJSIJZOZLFK-NZBPQXDJSA-N 1 0 233.355 2.336 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]2C1)[C@H]1CCCO1 ZINC000902958788 584706263 /nfs/dbraw/zinc/70/62/63/584706263.db2.gz UBAGJSIJZOZLFK-AIEDFZFUSA-N 1 0 233.355 2.336 20 30 BEEDRO CC[C@H]([NH2+]CCN(C)C)c1cccc(C#N)c1 ZINC000902990148 584709293 /nfs/dbraw/zinc/70/92/93/584709293.db2.gz RKVZDJVCMUOSGC-AWEZNQCLSA-N 1 0 231.343 2.161 20 30 BEEDRO CC[C@@H]([NH2+]CCN(C)C)c1cccc(C#N)c1 ZINC000902990149 584709584 /nfs/dbraw/zinc/70/95/84/584709584.db2.gz RKVZDJVCMUOSGC-CQSZACIVSA-N 1 0 231.343 2.161 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903017533 584713235 /nfs/dbraw/zinc/71/32/35/584713235.db2.gz OXYICSBEIPLQBD-QKCSRTOESA-N 1 0 245.326 2.171 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902975210 584713474 /nfs/dbraw/zinc/71/34/74/584713474.db2.gz FNGYZVUCMDQBKI-ODXJTPSBSA-N 1 0 221.344 2.356 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](C)F)c1cc(C#N)ccn1 ZINC000903001238 584715671 /nfs/dbraw/zinc/71/56/71/584715671.db2.gz RHKHJHPWKICYLI-VHSXEESVSA-N 1 0 221.279 2.352 20 30 BEEDRO CO[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903001865 584716098 /nfs/dbraw/zinc/71/60/98/584716098.db2.gz YTJFWIQUISAFBX-HZMBPMFUSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(C#N)ccn1 ZINC000903006871 584716877 /nfs/dbraw/zinc/71/68/77/584716877.db2.gz PEQVHDXNINRBRF-ZWNOBZJWSA-N 1 0 245.326 2.171 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000903007501 584717420 /nfs/dbraw/zinc/71/74/20/584717420.db2.gz AXOHBVYWDCOIBU-DGAVXFQQSA-N 1 0 239.359 2.267 20 30 BEEDRO CCC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)COC1 ZINC000903012591 584718067 /nfs/dbraw/zinc/71/80/67/584718067.db2.gz RCPROOZDXDRROJ-LLVKDONJSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cc(C#N)ccn1 ZINC000903020053 584718200 /nfs/dbraw/zinc/71/82/00/584718200.db2.gz VFMVGSXSBNQWEE-CKYFFXLPSA-N 1 0 247.367 2.498 20 30 BEEDRO COCC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000903043156 584720805 /nfs/dbraw/zinc/72/08/05/584720805.db2.gz QCZGHBIWUXQWQL-NSHDSACASA-N 1 0 245.326 2.030 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903026865 584721192 /nfs/dbraw/zinc/72/11/92/584721192.db2.gz VHFVWAXQSHCYMZ-CCEZWXGKSA-N 1 0 246.354 2.082 20 30 BEEDRO CCc1cnccc1[C@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000801940311 584722058 /nfs/dbraw/zinc/72/20/58/584722058.db2.gz ZTJKKYSPYUAEKW-RYUDHWBXSA-N 1 0 247.342 2.223 20 30 BEEDRO CC[C@H]([NH2+]C/C=C/CO)c1cccc(C#N)c1 ZINC000903048661 584723484 /nfs/dbraw/zinc/72/34/84/584723484.db2.gz QTMWMXODCYDGTQ-XGACYXMMSA-N 1 0 230.311 2.147 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903049872 584723704 /nfs/dbraw/zinc/72/37/04/584723704.db2.gz JNMIBZGFTKWWDC-DRZSPHRISA-N 1 0 245.326 2.171 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903051054 584723942 /nfs/dbraw/zinc/72/39/42/584723942.db2.gz CUTGAAJLPURTGD-LBPRGKRZSA-N 1 0 245.326 2.197 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@]1(C)CCCO1 ZINC000903101128 584727028 /nfs/dbraw/zinc/72/70/28/584727028.db2.gz ANTLMYUPJXKNCQ-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@@]1(C)CCCO1 ZINC000903101129 584727073 /nfs/dbraw/zinc/72/70/73/584727073.db2.gz ANTLMYUPJXKNCQ-ZYHUDNBSSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C1CC(CC(N)=O)C1 ZINC000903252712 584739140 /nfs/dbraw/zinc/73/91/40/584739140.db2.gz HANYAFVGDCMMHD-PNESKVBLSA-N 1 0 238.375 2.365 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)n1 ZINC000903264053 584740691 /nfs/dbraw/zinc/74/06/91/584740691.db2.gz RAPBKSIBHXZLQL-HOSYDEDBSA-N 1 0 245.351 2.459 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1cccc(C#N)c1 ZINC000903315901 584749708 /nfs/dbraw/zinc/74/97/08/584749708.db2.gz KZYQSHZHILYNKU-GJZGRUSLSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C#N)cc1F ZINC000903316735 584750201 /nfs/dbraw/zinc/75/02/01/584750201.db2.gz GRQZWDXRDZBJJM-JQWIXIFHSA-N 1 0 247.317 2.052 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cn(C)cn1)C1CC1 ZINC000903352206 584755472 /nfs/dbraw/zinc/75/54/72/584755472.db2.gz UGYXEQFWNZCAKS-ZDUSSCGKSA-N 1 0 219.332 2.255 20 30 BEEDRO C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc(C#N)c1 ZINC000903405535 584758397 /nfs/dbraw/zinc/75/83/97/584758397.db2.gz CUKGSCFDWRPZKY-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO C[NH2+][C@H]1CCN(Cc2cc(Cl)cc(C#N)c2)C1 ZINC000903421635 584763615 /nfs/dbraw/zinc/76/36/15/584763615.db2.gz PVBOQWCJURCEOD-ZDUSSCGKSA-N 1 0 249.745 2.005 20 30 BEEDRO CN(Cc1cc(Cl)cc(C#N)c1)C1CC([NH3+])C1 ZINC000903453669 584772795 /nfs/dbraw/zinc/77/27/95/584772795.db2.gz HHSAVNNEDKMNQH-UHFFFAOYSA-N 1 0 249.745 2.133 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000903454598 584773642 /nfs/dbraw/zinc/77/36/42/584773642.db2.gz DQCJVJMRNMDQFP-WFASDCNBSA-N 1 0 243.354 2.097 20 30 BEEDRO C[C@@H]1CCN[C@H](C)[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455159 584774202 /nfs/dbraw/zinc/77/42/02/584774202.db2.gz RWVWQVOEBBHTTM-RSFISVRASA-N 1 0 249.402 2.292 20 30 BEEDRO CN(CCCCC1(C#N)CCC1)[C@@H]1CC[NH2+]C1 ZINC000903716000 584794052 /nfs/dbraw/zinc/79/40/52/584794052.db2.gz FFZFWSLCABSCKV-CYBMUJFWSA-N 1 0 235.375 2.144 20 30 BEEDRO C[C@H]1CN(CCCCC2(C#N)CCC2)CC[NH2+]1 ZINC000903715853 584794235 /nfs/dbraw/zinc/79/42/35/584794235.db2.gz ARMCNARZMCYOMH-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCCCN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903800105 584801368 /nfs/dbraw/zinc/80/13/68/584801368.db2.gz UJCXPYFWUOEZOJ-OLZOCXBDSA-N 1 0 208.349 2.156 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000904075702 584839923 /nfs/dbraw/zinc/83/99/23/584839923.db2.gz OEKOXCBGQRGHBZ-VIFPVBQESA-N 1 0 221.304 2.249 20 30 BEEDRO C=CCC(C)(C)c1noc(CC2CC([NH3+])C2)n1 ZINC000904121758 584842361 /nfs/dbraw/zinc/84/23/61/584842361.db2.gz WVAWOURGWNDRMZ-UHFFFAOYSA-N 1 0 235.331 2.203 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC000876668072 584886511 /nfs/dbraw/zinc/88/65/11/584886511.db2.gz GDNONPJZUMSOEX-ZJUUUORDSA-N 1 0 244.766 2.151 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000753761641 584906040 /nfs/dbraw/zinc/90/60/40/584906040.db2.gz OGUOZFLDMSAFBA-SNVBAGLBSA-N 1 0 239.265 2.265 20 30 BEEDRO C#CCON=C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000834978071 584916390 /nfs/dbraw/zinc/91/63/90/584916390.db2.gz BCQXZQAHLGHAMT-OAHLLOKOSA-N 1 0 244.338 2.142 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000884032446 584933716 /nfs/dbraw/zinc/93/37/16/584933716.db2.gz RJIQSIJOFKZCCE-LLVKDONJSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000884449977 584953431 /nfs/dbraw/zinc/95/34/31/584953431.db2.gz SZYVDORGOHOGMR-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)CC1(C)COC1 ZINC000735919561 584984340 /nfs/dbraw/zinc/98/43/40/584984340.db2.gz GOIQTTMSWSRSRC-UHFFFAOYSA-N 1 0 247.313 2.297 20 30 BEEDRO C=C(Cl)CNC(=O)CCCC[NH+]1CCCC1 ZINC000736243229 584994156 /nfs/dbraw/zinc/99/41/56/584994156.db2.gz VVCYPJLBZIBDDU-UHFFFAOYSA-N 1 0 244.766 2.121 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCCCC23CCCC3)=[NH+]1 ZINC000814897500 585018673 /nfs/dbraw/zinc/01/86/73/585018673.db2.gz KJFXSDBYGOBCFG-LLVKDONJSA-N 1 0 248.374 2.414 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)C[C@@H](O)C1CC1 ZINC000838865251 585076264 /nfs/dbraw/zinc/07/62/64/585076264.db2.gz NVPLEXIUKOMOFC-CQSZACIVSA-N 1 0 238.375 2.409 20 30 BEEDRO C#CC[C@H]([NH2+]CC1(O)CCC1)c1ccccc1 ZINC000838913072 585077900 /nfs/dbraw/zinc/07/79/00/585077900.db2.gz NUEWBTCYXMWWPW-AWEZNQCLSA-N 1 0 229.323 2.256 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000838913965 585077970 /nfs/dbraw/zinc/07/79/70/585077970.db2.gz YBIVREVOZGKPOJ-CABCVRRESA-N 1 0 229.323 2.112 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](O)C1CC1 ZINC000838922442 585078606 /nfs/dbraw/zinc/07/86/06/585078606.db2.gz JFVAOFCYXISOCC-AWEZNQCLSA-N 1 0 235.327 2.081 20 30 BEEDRO CC(C)CC(N)=NOCCOc1ccccc1 ZINC000103265972 585080806 /nfs/dbraw/zinc/08/08/06/585080806.db2.gz MEQOSSYDADDMFR-UHFFFAOYSA-N 1 0 236.315 2.400 20 30 BEEDRO CCOC(=O)CC(C)(C)C[NH2+]CCCCC#N ZINC000838934629 585081614 /nfs/dbraw/zinc/08/16/14/585081614.db2.gz ONDLHLIZYHDKPQ-UHFFFAOYSA-N 1 0 240.347 2.249 20 30 BEEDRO Cc1cc(CN(CCC#N)CC(C)C)on1 ZINC000739914946 585085576 /nfs/dbraw/zinc/08/55/76/585085576.db2.gz TWOXVCOVVMUEHY-UHFFFAOYSA-N 1 0 221.304 2.355 20 30 BEEDRO CC(C)C1(O)C[NH+](CC(C)(C)CCC#N)C1 ZINC000839132880 585094114 /nfs/dbraw/zinc/09/41/14/585094114.db2.gz MURAOCIKWXUDDG-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO C#CCCC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000839133335 585094126 /nfs/dbraw/zinc/09/41/26/585094126.db2.gz ZZGGSDZYSISUMQ-UHFFFAOYSA-N 1 0 233.359 2.292 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)cc1 ZINC000839187506 585097117 /nfs/dbraw/zinc/09/71/17/585097117.db2.gz KSQHGFUXUOUDFH-CVEARBPZSA-N 1 0 241.334 2.279 20 30 BEEDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CC#N)c1 ZINC000839163817 585098435 /nfs/dbraw/zinc/09/84/35/585098435.db2.gz QVFRNAOYYZAEGJ-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000839200706 585099095 /nfs/dbraw/zinc/09/90/95/585099095.db2.gz YWMBTFBCTBVIAI-GFCCVEGCSA-N 1 0 239.359 2.309 20 30 BEEDRO CCCC(CCc1ccccc1)N=NC(N)=[NH2+] ZINC000740760503 585106480 /nfs/dbraw/zinc/10/64/80/585106480.db2.gz VSLFXMLESOSKLM-UHFFFAOYSA-N 1 0 232.331 2.258 20 30 BEEDRO CC[N@@H+]1CCC(N=NC2CCCC2)[C@H](C)C1 ZINC000741463809 585114484 /nfs/dbraw/zinc/11/44/84/585114484.db2.gz JWIQUZRMGWXFGO-LLVKDONJSA-N 1 0 223.364 2.236 20 30 BEEDRO Cc1ccc([C@@H]2CCCC2N=NC(N)=[NH2+])cc1 ZINC000741837743 585120169 /nfs/dbraw/zinc/12/01/69/585120169.db2.gz MLGBZNMPIBAKFC-NSHDSACASA-N 1 0 230.315 2.102 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCOc1cccnc1 ZINC000742371431 585125170 /nfs/dbraw/zinc/12/51/70/585125170.db2.gz WHFRSCKYFMZPKE-UHFFFAOYSA-N 1 0 247.342 2.380 20 30 BEEDRO C[C@H]1CCCN1CC[NH2+]Cc1cccc(C#N)c1 ZINC000742387226 585125587 /nfs/dbraw/zinc/12/55/87/585125587.db2.gz OTUJEVVKGSLPFH-ZDUSSCGKSA-N 1 0 243.354 2.132 20 30 BEEDRO C#CCCCNC(=O)C[N@@H+](C)CCCCCC ZINC000742784273 585131386 /nfs/dbraw/zinc/13/13/86/585131386.db2.gz JTCASXQJINBWNH-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO Fc1ccccc1C1CC(=[NH+]n2cnnc2)C1 ZINC000743419174 585136720 /nfs/dbraw/zinc/13/67/20/585136720.db2.gz OTQYGSKFTHELHJ-UHFFFAOYSA-N 1 0 230.246 2.199 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCOc1ccccc1 ZINC000743852950 585141175 /nfs/dbraw/zinc/14/11/75/585141175.db2.gz MVDUPVMYRVVFEH-UHFFFAOYSA-N 1 0 241.334 2.414 20 30 BEEDRO C=CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000746219404 585165880 /nfs/dbraw/zinc/16/58/80/585165880.db2.gz QTSFPILYSJAWAM-BETUJISGSA-N 1 0 238.375 2.282 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CCOCC1 ZINC000746400906 585167760 /nfs/dbraw/zinc/16/77/60/585167760.db2.gz MXCLUYGHHLSERT-GXTWGEPZSA-N 1 0 249.358 2.225 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccc(C)cc1 ZINC000746457100 585168302 /nfs/dbraw/zinc/16/83/02/585168302.db2.gz XOGGOFBGZCUXEB-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000886662542 585172447 /nfs/dbraw/zinc/17/24/47/585172447.db2.gz GJMMPRMYZWXXJH-HRCADAONSA-N 1 0 246.398 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC[C@H]2C(C)C)C1 ZINC000886663173 585172455 /nfs/dbraw/zinc/17/24/55/585172455.db2.gz VAKDREARUDVBCI-SOUVJXGZSA-N 1 0 234.387 2.108 20 30 BEEDRO CN(C)c1ccc(C=[NH+]OC[C@@H]2CCOC2)cc1 ZINC000747827867 585184797 /nfs/dbraw/zinc/18/47/97/585184797.db2.gz OKPGXLOJJTZTOV-CYBMUJFWSA-N 1 0 248.326 2.140 20 30 BEEDRO C#CC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@H]1C ZINC000747966492 585186494 /nfs/dbraw/zinc/18/64/94/585186494.db2.gz ABTGJAFOOJQHNA-OAHLLOKOSA-N 1 0 242.366 2.447 20 30 BEEDRO CCO[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000748034352 585186784 /nfs/dbraw/zinc/18/67/84/585186784.db2.gz QLZIOPMJYDTDTC-UHFFFAOYSA-N 1 0 218.300 2.439 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccccc1C ZINC000749198196 585200214 /nfs/dbraw/zinc/20/02/14/585200214.db2.gz FKKRCDSLMBNMSG-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO CC(C)C(=NNCC[NH+]1CCCCC1)C1CC1 ZINC000750934836 585222318 /nfs/dbraw/zinc/22/23/18/585222318.db2.gz QOQQWIHUFZBLNC-UHFFFAOYSA-N 1 0 237.391 2.484 20 30 BEEDRO CCCN[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752726192 585249039 /nfs/dbraw/zinc/24/90/39/585249039.db2.gz FOXRMGWWSOKGRS-UHFFFAOYSA-N 1 0 217.316 2.012 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC[C@H](O)CC)cc1 ZINC000809621683 585255703 /nfs/dbraw/zinc/25/57/03/585255703.db2.gz NLZWNJOHXAHXTP-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCCC[C@@H]1C ZINC000753545776 585261140 /nfs/dbraw/zinc/26/11/40/585261140.db2.gz GWVOHYNLNGYTLC-KBPBESRZSA-N 1 0 203.329 2.381 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC)c1ccccc1OC ZINC000753766918 585268429 /nfs/dbraw/zinc/26/84/29/585268429.db2.gz HQENFBPSISGQTM-CQSZACIVSA-N 1 0 247.338 2.386 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000753769700 585268577 /nfs/dbraw/zinc/26/85/77/585268577.db2.gz PUEWBPLGPVYSAY-CYBMUJFWSA-N 1 0 247.338 2.304 20 30 BEEDRO NC(=[NH2+])N=NC1CC(c2cccc(Cl)c2)C1 ZINC000753924432 585272195 /nfs/dbraw/zinc/27/21/95/585272195.db2.gz RYQYZTSRISGCIA-UHFFFAOYSA-N 1 0 236.706 2.056 20 30 BEEDRO CCC(C=NNC1=[NH+][C@H]2CCCC[C@H]2N1)CC ZINC000753936734 585272560 /nfs/dbraw/zinc/27/25/60/585272560.db2.gz VXXOTUYLTBNIJY-TXEJJXNPSA-N 1 0 236.363 2.268 20 30 BEEDRO C=CC[N@@H+](Cc1ccnc(N(C)C)c1)C1CC1 ZINC000754097931 585278438 /nfs/dbraw/zinc/27/84/38/585278438.db2.gz RPAGCLRNMCTWGH-UHFFFAOYSA-N 1 0 231.343 2.298 20 30 BEEDRO CCCCNN=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000754256425 585280962 /nfs/dbraw/zinc/28/09/62/585280962.db2.gz BLTLHTONWXKYRZ-NSHDSACASA-N 1 0 211.353 2.092 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000754239363 585281024 /nfs/dbraw/zinc/28/10/24/585281024.db2.gz ZCDXKEJOMNKZJF-CHWSQXEVSA-N 1 0 223.360 2.129 20 30 BEEDRO CC(C)[N@H+]1CC(N=Nc2ccccn2)[C@@H](C)C1 ZINC000754253333 585281193 /nfs/dbraw/zinc/28/11/93/585281193.db2.gz CXFAUPRSXUGRGL-NSHDSACASA-N 1 0 232.331 2.210 20 30 BEEDRO C=CC[N@@H+](CCC1OCCCO1)C(C)C ZINC000754641820 585288523 /nfs/dbraw/zinc/28/85/23/585288523.db2.gz VIQQTPJZYQWAFI-UHFFFAOYSA-N 1 0 213.321 2.036 20 30 BEEDRO Cc1[nH]cnc1C=NNCc1cccc(Cl)c1 ZINC000755771056 585306646 /nfs/dbraw/zinc/30/66/46/585306646.db2.gz RUNJRRUXADCPMA-UHFFFAOYSA-N 1 0 248.717 2.495 20 30 BEEDRO C=C(C)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000756081045 585313976 /nfs/dbraw/zinc/31/39/76/585313976.db2.gz JDHHUTGNKHMEKE-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCC(C)C ZINC000756544818 585320861 /nfs/dbraw/zinc/32/08/61/585320861.db2.gz RUHUJLMBIMRYBS-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C=C1CCCC1 ZINC000756547184 585320980 /nfs/dbraw/zinc/32/09/80/585320980.db2.gz JKFDTSIIPIVLBT-CQSZACIVSA-N 1 0 247.338 2.128 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C(\C)CCC ZINC000756552864 585321116 /nfs/dbraw/zinc/32/11/16/585321116.db2.gz LNGDAELKWHHEAH-CMPYXILNSA-N 1 0 249.354 2.374 20 30 BEEDRO C[C@@H]1CN(CCC2(C#N)CCCCC2)CC[N@@H+]1C ZINC000839533809 585329254 /nfs/dbraw/zinc/32/92/54/585329254.db2.gz NYYATLZMBYINLH-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO C=C(Cl)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000839549866 585330199 /nfs/dbraw/zinc/33/01/99/585330199.db2.gz DBBUQGHQHJQVPV-GHMZBOCLSA-N 1 0 215.724 2.286 20 30 BEEDRO C=C(Cl)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000839549872 585330400 /nfs/dbraw/zinc/33/04/00/585330400.db2.gz DBBUQGHQHJQVPV-WDEREUQCSA-N 1 0 215.724 2.286 20 30 BEEDRO C=C(Cl)C[N@H+]1CCSC[C@@H](C)C1 ZINC000839578082 585330842 /nfs/dbraw/zinc/33/08/42/585330842.db2.gz AISPHANVAQMDCZ-QMMMGPOBSA-N 1 0 205.754 2.424 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000839658756 585333518 /nfs/dbraw/zinc/33/35/18/585333518.db2.gz SKONJKUWGCLAAH-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC(C)(C)C[C@H]1C ZINC000839658754 585333523 /nfs/dbraw/zinc/33/35/23/585333523.db2.gz SKONJKUWGCLAAH-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)Cc1occc1C ZINC000839663956 585334735 /nfs/dbraw/zinc/33/47/35/585334735.db2.gz VZXJNVKAVDLQJC-GFCCVEGCSA-N 1 0 236.315 2.339 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000757406412 585334859 /nfs/dbraw/zinc/33/48/59/585334859.db2.gz VOEYMBXOQWBTIS-QWRGUYRKSA-N 1 0 215.724 2.240 20 30 BEEDRO CCOCOc1ccc(CNC[C@@H](C)C#N)cc1 ZINC000757905131 585346340 /nfs/dbraw/zinc/34/63/40/585346340.db2.gz DKDQDCFUBCLMKX-LBPRGKRZSA-N 1 0 248.326 2.309 20 30 BEEDRO CC(=[NH+]NC1CCOCC1)c1ccc(N)cc1C ZINC000758116025 585349408 /nfs/dbraw/zinc/34/94/08/585349408.db2.gz CMQQODRGAAJGEL-UHFFFAOYSA-N 1 0 247.342 2.070 20 30 BEEDRO Fc1ccc(CON=C2C[NH+]3CCC2CC3)cc1 ZINC000758144717 585350827 /nfs/dbraw/zinc/35/08/27/585350827.db2.gz PHCCKDXARAVSJK-UHFFFAOYSA-N 1 0 248.301 2.424 20 30 BEEDRO C[C@H]1C[C@@H]1C=[NH+]n1cnnc1-c1ccccc1 ZINC000758374247 585355313 /nfs/dbraw/zinc/35/53/13/585355313.db2.gz PRTMONRNGHKGBH-CMPLNLGQSA-N 1 0 226.283 2.435 20 30 BEEDRO C#CCCCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000758636462 585357783 /nfs/dbraw/zinc/35/77/83/585357783.db2.gz JZKJDQYQGCPPHB-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC000809747260 585395890 /nfs/dbraw/zinc/39/58/90/585395890.db2.gz MWLGAVHQKRSHIN-VHDGCEQUSA-N 1 0 244.338 2.392 20 30 BEEDRO C=CC[N@@H+](Cc1cc(=O)c(OC)co1)C(C)C ZINC000760813454 585397603 /nfs/dbraw/zinc/39/76/03/585397603.db2.gz GRMYJTVWGLGOGI-UHFFFAOYSA-N 1 0 237.299 2.045 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000760819758 585398074 /nfs/dbraw/zinc/39/80/74/585398074.db2.gz VSHLDLQOKFXSOY-NSHDSACASA-N 1 0 204.273 2.143 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccccc1C ZINC000760817819 585398093 /nfs/dbraw/zinc/39/80/93/585398093.db2.gz BVNPZJJIHPIWDD-UHFFFAOYSA-N 1 0 231.339 2.467 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000760859992 585400156 /nfs/dbraw/zinc/40/01/56/585400156.db2.gz JYRIINHZCMEKNO-TZMCWYRMSA-N 1 0 245.322 2.150 20 30 BEEDRO C=CCNC(=O)C[NH+]1CCC(CC(C)C)CC1 ZINC000760923857 585401917 /nfs/dbraw/zinc/40/19/17/585401917.db2.gz DXQRTQVNZRUYDU-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO Fc1ccc(C#CC[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000761090487 585408027 /nfs/dbraw/zinc/40/80/27/585408027.db2.gz HTTXQDGETURMTK-GXTWGEPZSA-N 1 0 215.271 2.271 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1ccccc1 ZINC000761110843 585410150 /nfs/dbraw/zinc/41/01/50/585410150.db2.gz WNPQIHMGFHTHRC-CYBMUJFWSA-N 1 0 217.312 2.329 20 30 BEEDRO C[C@@H]1CC(N=Nc2nc3ccccc3[nH]2)C[N@@H+]1C ZINC000761795246 585418488 /nfs/dbraw/zinc/41/84/88/585418488.db2.gz YIEQFAQARCZBDZ-SECBINFHSA-N 1 0 243.314 2.055 20 30 BEEDRO C[C@@H]1CC(=NOCc2ccccc2)C[N@@H+]1C ZINC000761805026 585418912 /nfs/dbraw/zinc/41/89/12/585418912.db2.gz WBSRELFFGRRVRO-LLVKDONJSA-N 1 0 218.300 2.283 20 30 BEEDRO C#CCCc1noc(CCCC[NH+]2CCCC2)n1 ZINC000762011273 585424191 /nfs/dbraw/zinc/42/41/91/585424191.db2.gz XBBQBJINDFPTQV-UHFFFAOYSA-N 1 0 247.342 2.054 20 30 BEEDRO CCC[N@H+](CC#CCOC)Cc1ccccc1O ZINC000762926280 585439593 /nfs/dbraw/zinc/43/95/93/585439593.db2.gz PEPYHHRUTJYYRU-UHFFFAOYSA-N 1 0 247.338 2.254 20 30 BEEDRO C=CC[N@@H+](CCCc1nc(C)no1)C(C)C ZINC000763495387 585449062 /nfs/dbraw/zinc/44/90/62/585449062.db2.gz LCKZCOJBIVRELV-UHFFFAOYSA-N 1 0 223.320 2.207 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)cc1C ZINC000763895564 585456371 /nfs/dbraw/zinc/45/63/71/585456371.db2.gz NLAQLRIWFXADFU-UHFFFAOYSA-N 1 0 232.327 2.360 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000763904027 585456905 /nfs/dbraw/zinc/45/69/05/585456905.db2.gz WQABSUITMQAJNM-UHFFFAOYSA-N 1 0 238.718 2.396 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1OCC ZINC000764068968 585459140 /nfs/dbraw/zinc/45/91/40/585459140.db2.gz LMVSSZVJNXUYHX-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000764154066 585460936 /nfs/dbraw/zinc/46/09/36/585460936.db2.gz YCYQWBRSWHIJIP-AAEUAGOBSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1(C)CCC(C)CC1 ZINC000764473230 585466357 /nfs/dbraw/zinc/46/63/57/585466357.db2.gz TUGGQAPUUXEQJD-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(CC)ccc1O ZINC000764623438 585469075 /nfs/dbraw/zinc/46/90/75/585469075.db2.gz KJMAEZGEPPLJOB-UHFFFAOYSA-N 1 0 248.326 2.011 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOCC(F)(F)F ZINC000764845349 585475631 /nfs/dbraw/zinc/47/56/31/585475631.db2.gz UYUHCZWGKMWTNQ-ZETCQYMHSA-N 1 0 236.237 2.035 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000765004865 585479388 /nfs/dbraw/zinc/47/93/88/585479388.db2.gz BVJCTZJSSFELQX-OAHLLOKOSA-N 1 0 228.339 2.359 20 30 BEEDRO CC#CCCOC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000765478662 585487457 /nfs/dbraw/zinc/48/74/57/585487457.db2.gz FTIVWGJBECYIFC-AVGNSLFASA-N 1 0 237.343 2.204 20 30 BEEDRO Fc1ccccc1N=NC1CC[N@@H+]2CCC[C@@H]12 ZINC000765572908 585489877 /nfs/dbraw/zinc/48/98/77/585489877.db2.gz PRSPVZBFUJTQSW-ZDUSSCGKSA-N 1 0 233.290 2.462 20 30 BEEDRO C=CCC[N@@H+](C)Cn1ccc(-c2nccs2)n1 ZINC000766088898 585497446 /nfs/dbraw/zinc/49/74/46/585497446.db2.gz LVGBHFBIYFJTHK-UHFFFAOYSA-N 1 0 248.355 2.472 20 30 BEEDRO CC(C)[C@H]1CC(=NNC(N)=[NH2+])c2ccccc21 ZINC000766435100 585502578 /nfs/dbraw/zinc/50/25/78/585502578.db2.gz YJAGLTNXKXXOLL-LLVKDONJSA-N 1 0 230.315 2.017 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000766665923 585504692 /nfs/dbraw/zinc/50/46/92/585504692.db2.gz ZSQSXOLKVFKGNF-NSHDSACASA-N 1 0 229.323 2.334 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000766895206 585509584 /nfs/dbraw/zinc/50/95/84/585509584.db2.gz KBGXQTVZRXNHQP-AWEZNQCLSA-N 1 0 243.354 2.378 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000766896074 585509788 /nfs/dbraw/zinc/50/97/88/585509788.db2.gz WLOFDAIWLWILRA-UHFFFAOYSA-N 1 0 245.322 2.303 20 30 BEEDRO C#CCCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000766896070 585509961 /nfs/dbraw/zinc/50/99/61/585509961.db2.gz PAYLJUXVHWGBLA-UHFFFAOYSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CCCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000766903617 585510621 /nfs/dbraw/zinc/51/06/21/585510621.db2.gz TYABUISNRCHWHA-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CC[C@H]([NH2+]C1CC(OC)C1)c1ccncc1 ZINC000769518611 585558406 /nfs/dbraw/zinc/55/84/06/585558406.db2.gz HWRXLIGMYSLSGE-RUXDESIVSA-N 1 0 232.327 2.466 20 30 BEEDRO C#CCC[N@H+]1CCC[C@]1(CCC)C(=O)OCC ZINC000770002114 585569001 /nfs/dbraw/zinc/56/90/01/585569001.db2.gz PURUKRPZSVHWLA-CQSZACIVSA-N 1 0 237.343 2.208 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@@H](CCO)C2CC2)cc1 ZINC000771799718 585600580 /nfs/dbraw/zinc/60/05/80/585600580.db2.gz LIQBTBSKSWSJEN-HNNXBMFYSA-N 1 0 244.338 2.003 20 30 BEEDRO OC[C@@H]([NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC000771809967 585600755 /nfs/dbraw/zinc/60/07/55/585600755.db2.gz WQLGEQLVJRJRIV-CQSZACIVSA-N 1 0 249.741 2.052 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000772382298 585614061 /nfs/dbraw/zinc/61/40/61/585614061.db2.gz PPMFKODKRTYZQG-HNNXBMFYSA-N 1 0 242.322 2.242 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000773030909 585629679 /nfs/dbraw/zinc/62/96/79/585629679.db2.gz YIJIOQJJEANBHD-VHSXEESVSA-N 1 0 236.290 2.210 20 30 BEEDRO CC1=CCC[C@H](C)[C@H]1C=[NH+]n1cnnc1 ZINC000773181699 585633133 /nfs/dbraw/zinc/63/31/33/585633133.db2.gz WFPUGYVRUAXIQQ-QWRGUYRKSA-N 1 0 204.277 2.104 20 30 BEEDRO CC1=CCC[C@@H](C)[C@@H]1C=[NH+]n1cnnc1 ZINC000773181685 585633227 /nfs/dbraw/zinc/63/32/27/585633227.db2.gz WFPUGYVRUAXIQQ-GHMZBOCLSA-N 1 0 204.277 2.104 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(OCC)c1 ZINC000773851305 585645042 /nfs/dbraw/zinc/64/50/42/585645042.db2.gz DORWSCYZPXIUTQ-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000774212446 585653915 /nfs/dbraw/zinc/65/39/15/585653915.db2.gz XHBCKEHRWNOTEI-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOC1CCCC1 ZINC000774607895 585662064 /nfs/dbraw/zinc/66/20/64/585662064.db2.gz JKWPMAXXHFULOX-JTQLQIEISA-N 1 0 222.332 2.416 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000774815729 585666662 /nfs/dbraw/zinc/66/66/62/585666662.db2.gz HATIVXBTUJGYRB-UHFFFAOYSA-N 1 0 227.311 2.076 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000774828628 585666873 /nfs/dbraw/zinc/66/68/73/585666873.db2.gz WOADAEYJJZMVFV-ZDUSSCGKSA-N 1 0 249.354 2.283 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000775055834 585671106 /nfs/dbraw/zinc/67/11/06/585671106.db2.gz FVYYMMLFNAUFSG-LBPRGKRZSA-N 1 0 220.316 2.305 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000775055108 585671270 /nfs/dbraw/zinc/67/12/70/585671270.db2.gz PZXKVOPHRIQCFZ-CYBMUJFWSA-N 1 0 220.316 2.305 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(F)ccc1C)[C@@H]1CCCO1 ZINC000775347184 585676535 /nfs/dbraw/zinc/67/65/35/585676535.db2.gz GCSGKYHJUZLPFY-CABCVRRESA-N 1 0 247.313 2.405 20 30 BEEDRO C#CC[C@@H]([NH2+]CCN1CCCC1)c1ccccc1 ZINC000775398745 585677533 /nfs/dbraw/zinc/67/75/33/585677533.db2.gz ATUUSFYTCGIBNS-MRXNPFEDSA-N 1 0 242.366 2.436 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCCO1 ZINC000775571781 585680425 /nfs/dbraw/zinc/68/04/25/585680425.db2.gz LPGXXNTZDZXCMV-WHOFXGATSA-N 1 0 245.322 2.224 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1C)[C@H]1CCCO1 ZINC000775794279 585685087 /nfs/dbraw/zinc/68/50/87/585685087.db2.gz ZFMIRGXRLSHTEO-LSDHHAIUSA-N 1 0 247.313 2.405 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775837947 585686146 /nfs/dbraw/zinc/68/61/46/585686146.db2.gz WAFYOPGPQXJRBH-DOMZBBRYSA-N 1 0 248.370 2.340 20 30 BEEDRO C#CCCC[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000775992213 585688718 /nfs/dbraw/zinc/68/87/18/585688718.db2.gz BUQSKQKILNVDSR-GXTWGEPZSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000859252935 589024769 /nfs/dbraw/zinc/02/47/69/589024769.db2.gz UJBIXJOQDUGHFZ-UHFFFAOYSA-N 1 0 224.307 2.464 20 30 BEEDRO CCCCCCC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000778138029 585726079 /nfs/dbraw/zinc/72/60/79/585726079.db2.gz NXNSFYGNSZKXLJ-ZDUSSCGKSA-N 1 0 239.363 2.014 20 30 BEEDRO C#C[C@H](CC)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000778726222 585739961 /nfs/dbraw/zinc/73/99/61/585739961.db2.gz NICFTUXQJLGUQN-VXGBXAGGSA-N 1 0 225.332 2.062 20 30 BEEDRO C#CCOc1ccccc1C[N@H+]1CC=CCC1 ZINC000779159498 585746037 /nfs/dbraw/zinc/74/60/37/585746037.db2.gz KXMVKIVLJLRJOX-UHFFFAOYSA-N 1 0 227.307 2.461 20 30 BEEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@H](C)c1ccccc1 ZINC000779792300 585763683 /nfs/dbraw/zinc/76/36/83/585763683.db2.gz KTABVFKPDPSTCZ-MNOVXSKESA-N 1 0 244.342 2.103 20 30 BEEDRO C[C@H]1CNC(NN=C2CCCCCCC2)=[NH+]1 ZINC000779792644 585764127 /nfs/dbraw/zinc/76/41/27/585764127.db2.gz OPPGFGPASJNDKY-JTQLQIEISA-N 1 0 222.336 2.024 20 30 BEEDRO CCc1noc(C)c1C(C)=NNc1ccncc1 ZINC000779812018 585766344 /nfs/dbraw/zinc/76/63/44/585766344.db2.gz WGPWVESCCOBULN-UHFFFAOYSA-N 1 0 244.298 2.198 20 30 BEEDRO COc1ccc(C=NNc2ccncc2)cc1F ZINC000779812246 585766481 /nfs/dbraw/zinc/76/64/81/585766481.db2.gz QVBVZRTVBBQSOZ-UHFFFAOYSA-N 1 0 245.257 2.097 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1ccnc(F)c1 ZINC000781124807 585790712 /nfs/dbraw/zinc/79/07/12/585790712.db2.gz LSFYJFKZDZFXFE-VIFPVBQESA-N 1 0 248.305 2.103 20 30 BEEDRO CC(CCCC[NH+](C)C)N=Nc1ccncc1 ZINC000781125165 585790810 /nfs/dbraw/zinc/79/08/10/585790810.db2.gz UAVLVCCWKTZYBY-UHFFFAOYSA-N 1 0 234.347 2.023 20 30 BEEDRO COC1CCC([NH2+]Cc2ccc(C#N)cn2)CC1 ZINC000783294384 585833291 /nfs/dbraw/zinc/83/32/91/585833291.db2.gz PHMQRWIODKEZOB-UHFFFAOYSA-N 1 0 245.326 2.000 20 30 BEEDRO COC[C@@H](C)C[N@H+](CCC#N)CC(C)C ZINC000783506996 585835718 /nfs/dbraw/zinc/83/57/18/585835718.db2.gz VGZRQCGIHOHNPO-LBPRGKRZSA-N 1 0 212.337 2.141 20 30 BEEDRO COC[C@H](C)C[N@H+](CCC#N)CC(C)C ZINC000783506995 585835760 /nfs/dbraw/zinc/83/57/60/585835760.db2.gz VGZRQCGIHOHNPO-GFCCVEGCSA-N 1 0 212.337 2.141 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000783525151 585836052 /nfs/dbraw/zinc/83/60/52/585836052.db2.gz GPIWGFRHJCKIPD-NWDGAFQWSA-N 1 0 235.327 2.227 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000785480106 585874565 /nfs/dbraw/zinc/87/45/65/585874565.db2.gz DKGSZDCGMWXOBR-LLVKDONJSA-N 1 0 242.363 2.408 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]32)ccc1C#N ZINC000785769241 585880039 /nfs/dbraw/zinc/88/00/39/585880039.db2.gz SJYMJKAMQAPYIT-OCCSQVGLSA-N 1 0 212.296 2.461 20 30 BEEDRO Cc1cc(CN2CC[N@H+](C)[C@@H](C)C2)ccc1C#N ZINC000785765954 585880257 /nfs/dbraw/zinc/88/02/57/585880257.db2.gz IXHDFPGAMCSLDS-ZDUSSCGKSA-N 1 0 243.354 2.003 20 30 BEEDRO C1C[C@@H]2C(=NNC3CCCCC3)CC[N@H+]2C1 ZINC000786042845 585885860 /nfs/dbraw/zinc/88/58/60/585885860.db2.gz BBGLJUNKQYGQCO-CYBMUJFWSA-N 1 0 221.348 2.133 20 30 BEEDRO C[N@@H+]1CCCC(=NNC2CCCCC2)CC1 ZINC000786043774 585886322 /nfs/dbraw/zinc/88/63/22/585886322.db2.gz XGPMLAUFEQDNNA-UHFFFAOYSA-N 1 0 223.364 2.380 20 30 BEEDRO C=CCC[N@@H+](C)Cn1ncc(Cl)c1C ZINC000786102713 585887332 /nfs/dbraw/zinc/88/73/32/585887332.db2.gz SBTFWKISWANPHL-UHFFFAOYSA-N 1 0 213.712 2.310 20 30 BEEDRO C=CC[N@@H+](CCOCC(F)F)C(C)C ZINC000787184274 585902564 /nfs/dbraw/zinc/90/25/64/585902564.db2.gz PGHPQRQWLNFKHN-UHFFFAOYSA-N 1 0 207.264 2.165 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NOCc2cccnc2)C1 ZINC000788437921 585923276 /nfs/dbraw/zinc/92/32/76/585923276.db2.gz XHLLLBSSBIBEBT-CQSZACIVSA-N 1 0 247.342 2.458 20 30 BEEDRO CC[C@H](C)NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788441435 585923737 /nfs/dbraw/zinc/92/37/37/585923737.db2.gz SGFHLJMRDMGUNO-JQWIXIFHSA-N 1 0 211.353 2.235 20 30 BEEDRO CC(=[NH+]n1cnnc1)C1CCC(F)(F)CC1 ZINC000788693639 585929245 /nfs/dbraw/zinc/92/92/45/585929245.db2.gz MGAZYCCYYVGWCY-UHFFFAOYSA-N 1 0 228.246 2.328 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000859280135 589026858 /nfs/dbraw/zinc/02/68/58/589026858.db2.gz GJXRVVJQXWWNIG-GFCCVEGCSA-N 1 0 212.296 2.320 20 30 BEEDRO Cc1cccnc1N=NC1CC[N@@H+]2CCC[C@H]12 ZINC000790185585 585960248 /nfs/dbraw/zinc/96/02/48/585960248.db2.gz GTCSSDCHTBYYGT-GFCCVEGCSA-N 1 0 230.315 2.026 20 30 BEEDRO C#CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000790474198 585965264 /nfs/dbraw/zinc/96/52/64/585965264.db2.gz RWMUGEIQRZIVFI-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(C#N)cn2)CCCC1 ZINC000790990173 585971705 /nfs/dbraw/zinc/97/17/05/585971705.db2.gz CLQBTJFPMKWFQU-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000791568651 585984288 /nfs/dbraw/zinc/98/42/88/585984288.db2.gz XKYURBWDEPUGLQ-GYSYKLTISA-N 1 0 230.311 2.074 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccnc(F)c1 ZINC000859281199 589027152 /nfs/dbraw/zinc/02/71/52/589027152.db2.gz ROQVAAICJMQSGJ-UHFFFAOYSA-N 1 0 206.264 2.064 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](OCC)C1CC1 ZINC000859281368 589027158 /nfs/dbraw/zinc/02/71/58/589027158.db2.gz UHIBFPZPSODUGU-LBPRGKRZSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792268568 585998599 /nfs/dbraw/zinc/99/85/99/585998599.db2.gz LJQAJMXNVAHIKF-LBPRGKRZSA-N 1 0 235.327 2.123 20 30 BEEDRO C#CC[N@H+](C)CCN1CCCc2ccccc21 ZINC000792302508 585999552 /nfs/dbraw/zinc/99/95/52/585999552.db2.gz YZEHFZWDFBNIMB-UHFFFAOYSA-N 1 0 228.339 2.004 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@H]1CC=CCC1 ZINC000792482029 586000772 /nfs/dbraw/zinc/00/07/72/586000772.db2.gz MXMMOSBZMYHGDI-AWEZNQCLSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CCC[N@@H+](CCOC)[C@H]1CC[C@@H](C)C1 ZINC000792465163 586000778 /nfs/dbraw/zinc/00/07/78/586000778.db2.gz KPXVYRDGYLPSFN-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000792923852 586006897 /nfs/dbraw/zinc/00/68/97/586006897.db2.gz DYZACKIBDYOMHP-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=NCC1(C)CCCC1 ZINC000793084118 586010206 /nfs/dbraw/zinc/01/02/06/586010206.db2.gz ISQBDBQVYXAGPY-NSHDSACASA-N 1 0 223.364 2.094 20 30 BEEDRO CC[C@@H](C)CON=C1CC[N@@H+]2CCC[C@H]12 ZINC000793144909 586011406 /nfs/dbraw/zinc/01/14/06/586011406.db2.gz GGLGIZNZDOUVAM-ZYHUDNBSSA-N 1 0 210.321 2.273 20 30 BEEDRO CC[C@H](C)CON=C(C)CC[NH+](C)C ZINC000793159416 586012076 /nfs/dbraw/zinc/01/20/76/586012076.db2.gz ORNYMRHRFMPGHS-JTQLQIEISA-N 1 0 200.326 2.377 20 30 BEEDRO N#Cc1ccc2ncc(C[NH2+]C3CC=CC3)n2c1 ZINC000793584801 586023509 /nfs/dbraw/zinc/02/35/09/586023509.db2.gz SFGRTNWYPXCEGO-UHFFFAOYSA-N 1 0 238.294 2.014 20 30 BEEDRO C[C@@H]1CC(=NNCCC(F)(F)F)CN1C1CC1 ZINC000794548569 586043790 /nfs/dbraw/zinc/04/37/90/586043790.db2.gz TVAGRSXYFNVKPO-MRVPVSSYSA-N 1 0 249.280 2.141 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000794576338 586044809 /nfs/dbraw/zinc/04/48/09/586044809.db2.gz JGGCKXIFYOSVKG-OLZOCXBDSA-N 1 0 240.391 2.461 20 30 BEEDRO C#CCC[NH2+][C@H](C(C)C)[C@@H](O)c1ccccc1 ZINC000794609728 586045864 /nfs/dbraw/zinc/04/58/64/586045864.db2.gz FRTGPIZEFGXLOQ-CABCVRRESA-N 1 0 231.339 2.358 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc(F)n2)C[N@@H+]1C1CC1 ZINC000795006691 586064570 /nfs/dbraw/zinc/06/45/70/586064570.db2.gz FTOYQFUTZUFLSS-VIFPVBQESA-N 1 0 248.305 2.245 20 30 BEEDRO C=C(C)CCON=C(N)C[N@H+]1CCCC[C@@H]1C ZINC000795209827 586072093 /nfs/dbraw/zinc/07/20/93/586072093.db2.gz PSNSRDIQKPYLCY-LBPRGKRZSA-N 1 0 239.363 2.325 20 30 BEEDRO C#CCC[N@@H+](CC(=C)C)Cc1ccc(CO)o1 ZINC000796383165 586102397 /nfs/dbraw/zinc/10/23/97/586102397.db2.gz FGJWOIZWGVQWNO-UHFFFAOYSA-N 1 0 233.311 2.173 20 30 BEEDRO CCCCCC[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000797082204 586119661 /nfs/dbraw/zinc/11/96/61/586119661.db2.gz DFLPXLKYQNHPPI-GFCCVEGCSA-N 1 0 249.362 2.098 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000797403466 586126399 /nfs/dbraw/zinc/12/63/99/586126399.db2.gz NORANWCRTDREQJ-OUAUKWLOSA-N 1 0 236.363 2.126 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000797469212 586127675 /nfs/dbraw/zinc/12/76/75/586127675.db2.gz XNMOGVSHKSMEGD-UHFFFAOYSA-N 1 0 242.322 2.405 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000797878137 586133519 /nfs/dbraw/zinc/13/35/19/586133519.db2.gz NLNCVZGBLFALFY-HIFRSBDPSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CCCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798837582 586151152 /nfs/dbraw/zinc/15/11/52/586151152.db2.gz XRRISOQWWCBLBY-LLVKDONJSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CCN1CC[C@@H]([NH+]2CCCCCCC2)C1=O ZINC000799104728 586156498 /nfs/dbraw/zinc/15/64/98/586156498.db2.gz WCTNBKCDFXOOAM-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[N@@H+](Cc1cnc(OC)nc1C)C(C)C ZINC000799113476 586157374 /nfs/dbraw/zinc/15/73/74/586157374.db2.gz GXXBRFBFDQQIGR-UHFFFAOYSA-N 1 0 235.331 2.190 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799193386 586166387 /nfs/dbraw/zinc/16/63/87/586166387.db2.gz NIVJTKHIQWGNNT-CYBMUJFWSA-N 1 0 214.312 2.284 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](OCC)C2CC2)C1 ZINC000859335949 589032514 /nfs/dbraw/zinc/03/25/14/589032514.db2.gz IWLMDHJHFIGRLB-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCN(Cc1ccnc(F)c1)[C@H](C)COC ZINC000859343641 589032602 /nfs/dbraw/zinc/03/26/02/589032602.db2.gz COANPKRUGIHGNJ-LLVKDONJSA-N 1 0 238.306 2.244 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCNc2ccccc2)C1 ZINC000799719670 586193920 /nfs/dbraw/zinc/19/39/20/586193920.db2.gz UQMKOOCDMXGCIJ-GXTWGEPZSA-N 1 0 229.327 2.380 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000799717877 586194388 /nfs/dbraw/zinc/19/43/88/586194388.db2.gz VSSCWGQHPJXTAH-UMVBOHGHSA-N 1 0 244.338 2.310 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859415038 589035684 /nfs/dbraw/zinc/03/56/84/589035684.db2.gz NYEBBVKTOFEBQO-AXFHLTTASA-N 1 0 246.301 2.138 20 30 BEEDRO C#CCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000859413355 589035876 /nfs/dbraw/zinc/03/58/76/589035876.db2.gz DEGPIIAYZQZTHB-NXEZZACHSA-N 1 0 201.260 2.233 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000800983011 586239230 /nfs/dbraw/zinc/23/92/30/586239230.db2.gz ULPGNHDPWMHOSI-YUTCNCBUSA-N 1 0 227.311 2.231 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCC2OCCCO2)C1 ZINC000859444236 589037331 /nfs/dbraw/zinc/03/73/31/589037331.db2.gz HORHTQYQULWIJC-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000859445327 589037641 /nfs/dbraw/zinc/03/76/41/589037641.db2.gz GHQSXELFLSQKBZ-GFCCVEGCSA-N 1 0 225.332 2.084 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000801590509 586265292 /nfs/dbraw/zinc/26/52/92/586265292.db2.gz SCDCEWZKABUUDP-BETUJISGSA-N 1 0 227.348 2.056 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000801913904 586276308 /nfs/dbraw/zinc/27/63/08/586276308.db2.gz BYUHFYZMMKHYBE-QWRGUYRKSA-N 1 0 222.332 2.178 20 30 BEEDRO Cc1cc([C@@H]2CCC[N@H+]2CCO[C@H](C)C#N)on1 ZINC000801913113 586276715 /nfs/dbraw/zinc/27/67/15/586276715.db2.gz QDRMPNOMYMSYBY-NEPJUHHUSA-N 1 0 249.314 2.049 20 30 BEEDRO Cc1cc([C@H]2CCC[N@H+]2CCO[C@H](C)C#N)on1 ZINC000801913116 586276936 /nfs/dbraw/zinc/27/69/36/586276936.db2.gz QDRMPNOMYMSYBY-VXGBXAGGSA-N 1 0 249.314 2.049 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H](C)CCC[C@H]1C ZINC000801922829 586278008 /nfs/dbraw/zinc/27/80/08/586278008.db2.gz PVHBJNFCPPZQED-UPJWGTAASA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[N@H+](CCO[C@@H](C)C#N)CCc1ccco1 ZINC000801938334 586280096 /nfs/dbraw/zinc/28/00/96/586280096.db2.gz DWFLMPVOGFQPFY-ZDUSSCGKSA-N 1 0 248.326 2.239 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000801940479 586280459 /nfs/dbraw/zinc/28/04/59/586280459.db2.gz NCQARQDIEBKWOW-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@]2(CC[C@@H](C)C2)C1 ZINC000801939040 586280574 /nfs/dbraw/zinc/28/05/74/586280574.db2.gz PHPBEJAAXNQKPW-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](CC1CC1)C1CCC1 ZINC000801953221 586283290 /nfs/dbraw/zinc/28/32/90/586283290.db2.gz LOPOINSKEMBZTG-LLVKDONJSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](C#N)Oc1ccc(C[NH+]2CC(C)C2)cc1 ZINC000802651543 586308050 /nfs/dbraw/zinc/30/80/50/586308050.db2.gz QJVBJLWCVSLSTI-GFCCVEGCSA-N 1 0 230.311 2.429 20 30 BEEDRO C=CCCC[N@@H+](C)CN1CCC(C)(C)C1=O ZINC000839997803 586346771 /nfs/dbraw/zinc/34/67/71/586346771.db2.gz GKHYEMXESCZLGS-UHFFFAOYSA-N 1 0 224.348 2.100 20 30 BEEDRO C=CCCOC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803855757 586377322 /nfs/dbraw/zinc/37/73/22/586377322.db2.gz KQZXRZZHMYJKTP-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO CC[C@H](C#N)OC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000803855583 586377609 /nfs/dbraw/zinc/37/76/09/586377609.db2.gz JFSAFJIMDLCHCS-NWDGAFQWSA-N 1 0 238.331 2.096 20 30 BEEDRO CC[C@H](C#N)OC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803855585 586377878 /nfs/dbraw/zinc/37/78/78/586377878.db2.gz JFSAFJIMDLCHCS-VXGBXAGGSA-N 1 0 238.331 2.096 20 30 BEEDRO C=CCC[N@@H+](C)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000840056140 586406926 /nfs/dbraw/zinc/40/69/26/586406926.db2.gz YPXQNJKQLRFCCY-KGLIPLIRSA-N 1 0 248.370 2.099 20 30 BEEDRO C#CC[N@@H+](CCC(=O)C(C)C)C1CCCC1 ZINC000808734457 586485565 /nfs/dbraw/zinc/48/55/65/586485565.db2.gz XWQIKIIDOVMPGQ-UHFFFAOYSA-N 1 0 221.344 2.479 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000808749734 586487678 /nfs/dbraw/zinc/48/76/78/586487678.db2.gz CPKNRFWFRJKKDQ-KGLIPLIRSA-N 1 0 243.391 2.022 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808776053 586489475 /nfs/dbraw/zinc/48/94/75/586489475.db2.gz AVNGSFUEPUEGRR-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCN(CCC)CC[NH+]1CCCCCC1 ZINC000808781274 586489481 /nfs/dbraw/zinc/48/94/81/586489481.db2.gz CYCZYJSUWMJMDT-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@](C)(CO)CCC)cc1 ZINC000809618980 586509382 /nfs/dbraw/zinc/50/93/82/586509382.db2.gz TVCJKVDVQXQNEV-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2cc(CC)n[nH]2)cc1 ZINC000809618859 586509574 /nfs/dbraw/zinc/50/95/74/586509574.db2.gz QDGJTGFZGZBFQM-UHFFFAOYSA-N 1 0 239.322 2.243 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC[C@@H](O)CC)cc1 ZINC000809621682 586509599 /nfs/dbraw/zinc/50/95/99/586509599.db2.gz NLZWNJOHXAHXTP-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO C#Cc1ccc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000809644333 586510832 /nfs/dbraw/zinc/51/08/32/586510832.db2.gz QHVRXLJCEXTMJQ-ZIAGYGMSSA-N 1 0 242.366 2.192 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ncccc2O)cc1 ZINC000809657731 586511193 /nfs/dbraw/zinc/51/11/93/586511193.db2.gz PBIRHQCJUAOODU-UHFFFAOYSA-N 1 0 238.290 2.058 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000809684200 586512202 /nfs/dbraw/zinc/51/22/02/586512202.db2.gz REXIKVBYQQDXCL-VXGBXAGGSA-N 1 0 228.295 2.089 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn2cccc(F)c2n1)C(C)C ZINC000809685351 586512407 /nfs/dbraw/zinc/51/24/07/586512407.db2.gz OZKBPOSQMZUMIB-ZDUSSCGKSA-N 1 0 245.301 2.221 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1 ZINC000809723828 586514733 /nfs/dbraw/zinc/51/47/33/586514733.db2.gz QHUGRNBPZOKWLU-OAHLLOKOSA-N 1 0 231.339 2.022 20 30 BEEDRO C=C(C)COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810538125 586540471 /nfs/dbraw/zinc/54/04/71/586540471.db2.gz VYAMLJLPVVVJRH-CYBMUJFWSA-N 1 0 243.322 2.318 20 30 BEEDRO C#CCCCCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810839753 586547855 /nfs/dbraw/zinc/54/78/55/586547855.db2.gz XQTJAYKIYLSHQZ-UONOGXRCSA-N 1 0 249.354 2.350 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000811489776 586559975 /nfs/dbraw/zinc/55/99/75/586559975.db2.gz INMNTGZHFXYRSP-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CN[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000811651322 586563219 /nfs/dbraw/zinc/56/32/19/586563219.db2.gz RHRPZEFEWYGIRN-UHFFFAOYSA-N 1 0 246.358 2.426 20 30 BEEDRO C=CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@H]1C1CC1 ZINC000811766447 586566613 /nfs/dbraw/zinc/56/66/13/586566613.db2.gz QCZOVNFGSFLOFQ-GFCCVEGCSA-N 1 0 236.359 2.099 20 30 BEEDRO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000812234430 586571395 /nfs/dbraw/zinc/57/13/95/586571395.db2.gz HMDPRAYEOHLRCE-ZDUSSCGKSA-N 1 0 242.322 2.287 20 30 BEEDRO CC(C)[N@H+]1CC(=NOC2CCC2)[C@@H](C)C1 ZINC000812238442 586572019 /nfs/dbraw/zinc/57/20/19/586572019.db2.gz VDQAQOZSEHLBHZ-JTQLQIEISA-N 1 0 210.321 2.272 20 30 BEEDRO C#CCC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850201 586588033 /nfs/dbraw/zinc/58/80/33/586588033.db2.gz RVLYHQNAEOJQEQ-HIFRSBDPSA-N 1 0 231.339 2.454 20 30 BEEDRO C[C@H]1CC(=NOCC2CC2)C[N@@H+]1C1CC1 ZINC000814243222 586619653 /nfs/dbraw/zinc/61/96/53/586619653.db2.gz LTTYLKWUPBAFDT-VIFPVBQESA-N 1 0 208.305 2.026 20 30 BEEDRO C[N@H+](CCCCCCCO)CC(C)(C)C#N ZINC000814670087 586628252 /nfs/dbraw/zinc/62/82/52/586628252.db2.gz LQIMJWNFNIPPKL-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C[C@@H](C=[NH+]n1cnnc1)C1CCCCC1 ZINC000814682490 586629079 /nfs/dbraw/zinc/62/90/79/586629079.db2.gz KUUIWCDWZVZRMT-JTQLQIEISA-N 1 0 206.293 2.328 20 30 BEEDRO C=CCC(F)(F)C(=O)NCCC[NH+](CC)CC ZINC000814711122 586630450 /nfs/dbraw/zinc/63/04/50/586630450.db2.gz CKXHTERHEGARHT-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO CC(=NO[C@H]1CCCCO1)C1CC[NH+](C)CC1 ZINC000814887706 586643632 /nfs/dbraw/zinc/64/36/32/586643632.db2.gz LBRBBGDTILXULA-ZDUSSCGKSA-N 1 0 240.347 2.247 20 30 BEEDRO c1cc2c(o1)CCCC2=NNc1ccncc1 ZINC000814900473 586646088 /nfs/dbraw/zinc/64/60/88/586646088.db2.gz VEBHSIUSPCQVRI-UHFFFAOYSA-N 1 0 227.267 2.249 20 30 BEEDRO CSCCON=C(C)C1CC[NH+](C)CC1 ZINC000814921777 586651347 /nfs/dbraw/zinc/65/13/47/586651347.db2.gz BKNNRRRVUMCAFV-UHFFFAOYSA-N 1 0 230.377 2.084 20 30 BEEDRO CCC(=[NH+]N[C@H]1CCSC1)c1cccc(N)c1 ZINC000814933272 586653743 /nfs/dbraw/zinc/65/37/43/586653743.db2.gz JNPSJIHGQVWCDU-LBPRGKRZSA-N 1 0 249.383 2.478 20 30 BEEDRO Cc1cc([C@H]2CCCN2CCOCCC#N)no1 ZINC000815011616 586663968 /nfs/dbraw/zinc/66/39/68/586663968.db2.gz UAONTHZWPINKPV-CYBMUJFWSA-N 1 0 249.314 2.050 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000815105987 586666857 /nfs/dbraw/zinc/66/68/57/586666857.db2.gz OBCGNMXFHVAXKF-UWVGGRQHSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000815107670 586667191 /nfs/dbraw/zinc/66/71/91/586667191.db2.gz NJQZUNBJDWVAGX-CYBMUJFWSA-N 1 0 232.327 2.074 20 30 BEEDRO C=CCC(F)(F)C(=O)NCC[N@@H+](C)CCCC ZINC000815577717 586688421 /nfs/dbraw/zinc/68/84/21/586688421.db2.gz WYLKJIVBPMBKCI-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C#CCCC[NH2+]Cc1c(F)ccc(O)c1F ZINC000816555088 586740656 /nfs/dbraw/zinc/74/06/56/586740656.db2.gz TUIOCXZXPONXTM-UHFFFAOYSA-N 1 0 225.238 2.173 20 30 BEEDRO C=CCN[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817328322 586794767 /nfs/dbraw/zinc/79/47/67/586794767.db2.gz VZHXFJYHGHOIJX-UHFFFAOYSA-N 1 0 229.327 2.475 20 30 BEEDRO C=CC[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895301 586835537 /nfs/dbraw/zinc/83/55/37/586835537.db2.gz XQOFMNBQAMKYLR-NWANDNLSSA-N 1 0 245.370 2.429 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956767 586850406 /nfs/dbraw/zinc/85/04/06/586850406.db2.gz CICYKQYNOXTWJJ-UKRRQHHQSA-N 1 0 243.354 2.483 20 30 BEEDRO N#Cc1ncccc1OCCCCCCC[NH3+] ZINC000818619676 586907310 /nfs/dbraw/zinc/90/73/10/586907310.db2.gz IWSCZYHTODAGCK-UHFFFAOYSA-N 1 0 233.315 2.241 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccncc1 ZINC000819073572 586929181 /nfs/dbraw/zinc/92/91/81/586929181.db2.gz GNAXUKBHFLLLQN-QWHCGFSZSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCC(C)(C)C1CC1 ZINC000819149910 586932942 /nfs/dbraw/zinc/93/29/42/586932942.db2.gz OBJDODOPBRMQDH-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819157786 586934309 /nfs/dbraw/zinc/93/43/09/586934309.db2.gz WIFDMZKZIXCFEU-HNNXBMFYSA-N 1 0 231.339 2.422 20 30 BEEDRO Cc1ccccc1[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000819281715 586947566 /nfs/dbraw/zinc/94/75/66/586947566.db2.gz WIMLMWULTHQNEL-AWEZNQCLSA-N 1 0 244.338 2.312 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000819361101 586957204 /nfs/dbraw/zinc/95/72/04/586957204.db2.gz CMIALCVEIFEOQB-CYBMUJFWSA-N 1 0 232.327 2.249 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+]CC2(C#N)CCC2)cc1 ZINC000819376629 586958622 /nfs/dbraw/zinc/95/86/22/586958622.db2.gz DSMRCEKMRFBAIU-AWEZNQCLSA-N 1 0 244.338 2.312 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000819376814 586959244 /nfs/dbraw/zinc/95/92/44/586959244.db2.gz GMZJOFUUHFHJQJ-CQSZACIVSA-N 1 0 244.338 2.312 20 30 BEEDRO Cc1cc(N(C)C)ccc1NCCC#N ZINC000819409691 586961694 /nfs/dbraw/zinc/96/16/94/586961694.db2.gz TWKDVTNVYYIBGP-UHFFFAOYSA-N 1 0 203.289 2.387 20 30 BEEDRO C=C(C)C(C)(C)C(=O)OCC[NH+](CC)CC ZINC000821448223 587120306 /nfs/dbraw/zinc/12/03/06/587120306.db2.gz ROCJOGJVFISPJB-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821621005 587132897 /nfs/dbraw/zinc/13/28/97/587132897.db2.gz CQMNSEYMMGWXGK-UHFFFAOYSA-N 1 0 219.284 2.091 20 30 BEEDRO CC(C)C#CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000821754625 587137064 /nfs/dbraw/zinc/13/70/64/587137064.db2.gz LMLFIFVQPBHSSK-UHFFFAOYSA-N 1 0 244.338 2.346 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000823134185 587204892 /nfs/dbraw/zinc/20/48/92/587204892.db2.gz WERZQSKBQQFYAY-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[N@H+](CCCC#N)C[C@](C)(O)c1ccccc1 ZINC000823584069 587232111 /nfs/dbraw/zinc/23/21/11/587232111.db2.gz BQCVBAPNMZVYRC-AWEZNQCLSA-N 1 0 232.327 2.130 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000823660084 587235146 /nfs/dbraw/zinc/23/51/46/587235146.db2.gz DYAYZFKLGDQYSK-AWEZNQCLSA-N 1 0 233.355 2.291 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC(C)(C)C ZINC000824143551 587258147 /nfs/dbraw/zinc/25/81/47/587258147.db2.gz VZCBEOPUCCOQCE-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1csc(C)c1)[C@H]1CCCO1 ZINC000824195470 587259937 /nfs/dbraw/zinc/25/99/37/587259937.db2.gz GIHGGYADAUTRPD-CHWSQXEVSA-N 1 0 235.352 2.327 20 30 BEEDRO Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000824187464 587259944 /nfs/dbraw/zinc/25/99/44/587259944.db2.gz HTOIHOYYOLNVSQ-CMPLNLGQSA-N 1 0 244.342 2.079 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](F)C2)cc1 ZINC000824571463 587277083 /nfs/dbraw/zinc/27/70/83/587277083.db2.gz MCWMUFUHKOSBJP-ZDUSSCGKSA-N 1 0 203.260 2.212 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C=C)cc1 ZINC000824861845 587290944 /nfs/dbraw/zinc/29/09/44/587290944.db2.gz QTNZVMTYPUGUFY-CABCVRRESA-N 1 0 227.307 2.101 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2ccnn2CC)c1 ZINC000825226772 587310003 /nfs/dbraw/zinc/31/00/03/587310003.db2.gz LVWQUVZTQMPQQR-UHFFFAOYSA-N 1 0 239.322 2.174 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000825221619 587310210 /nfs/dbraw/zinc/31/02/10/587310210.db2.gz UFVUUGBQRILLOT-VIFPVBQESA-N 1 0 226.345 2.252 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@H](C)COC)c1 ZINC000825225977 587310426 /nfs/dbraw/zinc/31/04/26/587310426.db2.gz CQWLNISLLPJVGY-LBPRGKRZSA-N 1 0 217.312 2.040 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2CC(OCC)C2)c1 ZINC000825227673 587310486 /nfs/dbraw/zinc/31/04/86/587310486.db2.gz XMGGETYDQKXGKX-UHFFFAOYSA-N 1 0 229.323 2.325 20 30 BEEDRO CC[NH+](CC)CCOC(=O)c1cccc(C#N)c1 ZINC000825255445 587311485 /nfs/dbraw/zinc/31/14/85/587311485.db2.gz LGIQNBWQPLCNIJ-UHFFFAOYSA-N 1 0 246.310 2.057 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000840496185 587322364 /nfs/dbraw/zinc/32/23/64/587322364.db2.gz UDXQZPXQEGUMEM-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C2CCC2)cnn1C ZINC000825878592 587343413 /nfs/dbraw/zinc/34/34/13/587343413.db2.gz SENXLHUBXUUJTP-GFCCVEGCSA-N 1 0 231.343 2.189 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000825878270 587343538 /nfs/dbraw/zinc/34/35/38/587343538.db2.gz HSQFIRYTNDXSMJ-JTQLQIEISA-N 1 0 233.286 2.478 20 30 BEEDRO C=CCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000826915619 587365386 /nfs/dbraw/zinc/36/53/86/587365386.db2.gz QKVSYQJOQFGZSQ-UHFFFAOYSA-N 1 0 225.332 2.085 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cncnc2)C1 ZINC000826946403 587366707 /nfs/dbraw/zinc/36/67/07/587366707.db2.gz GXEBDGVBIZJJRB-GFCCVEGCSA-N 1 0 217.316 2.265 20 30 BEEDRO C=CCC1([NH2+][C@H]2CC[C@H]2C)CCOCC1 ZINC000827147613 587371151 /nfs/dbraw/zinc/37/11/51/587371151.db2.gz TXRUTCKDLGXOIO-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)cc1 ZINC000827281061 587375354 /nfs/dbraw/zinc/37/53/54/587375354.db2.gz IEVQWWAQPQZZEC-CVEARBPZSA-N 1 0 241.334 2.136 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCOCC1 ZINC000827554370 587387427 /nfs/dbraw/zinc/38/74/27/587387427.db2.gz CZZGSLIIWFKUNX-SWLSCSKDSA-N 1 0 247.338 2.229 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)C1CCOCC1 ZINC000827554904 587387671 /nfs/dbraw/zinc/38/76/71/587387671.db2.gz KZSZANILFUPCIA-CBBWQLFWSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(C(C)C)C1)C1CCOCC1 ZINC000827559864 587387829 /nfs/dbraw/zinc/38/78/29/587387829.db2.gz KIHNOVBCOFNYHL-NRXISQOPSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccoc1C)C1CCOCC1 ZINC000827555549 587387987 /nfs/dbraw/zinc/38/79/87/587387987.db2.gz WDYVAEFBGGHHMT-CQSZACIVSA-N 1 0 233.311 2.106 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCOCC1 ZINC000827565136 587388440 /nfs/dbraw/zinc/38/84/40/587388440.db2.gz JJCQRGDJUBFLFE-YUELXQCFSA-N 1 0 246.354 2.087 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](C)CC)C1CCOCC1 ZINC000827560843 587388480 /nfs/dbraw/zinc/38/84/80/587388480.db2.gz VFSKMODUXAKRKW-WCQYABFASA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(CC)o1)C1CCOCC1 ZINC000827566506 587388754 /nfs/dbraw/zinc/38/87/54/587388754.db2.gz WDWMTSWNSBTZIH-OAHLLOKOSA-N 1 0 247.338 2.360 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccsc1)C1CCOCC1 ZINC000827569691 587388839 /nfs/dbraw/zinc/38/88/39/587388839.db2.gz CVJHCKBHRBCAMZ-ZDUSSCGKSA-N 1 0 235.352 2.266 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccs1)C1CCOCC1 ZINC000827569374 587388848 /nfs/dbraw/zinc/38/88/48/587388848.db2.gz ADVPEZLQNFTANZ-ZDUSSCGKSA-N 1 0 235.352 2.266 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H]1C)C1CCOCC1 ZINC000827565784 587389010 /nfs/dbraw/zinc/38/90/10/587389010.db2.gz ONCTUMZOXCODNJ-XBFCOCLRSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1)C1CCOCC1 ZINC000827571203 587389481 /nfs/dbraw/zinc/38/94/81/587389481.db2.gz WJFYNJBDLCJMNJ-OAHLLOKOSA-N 1 0 247.313 2.344 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)cc1 ZINC000827692722 587396908 /nfs/dbraw/zinc/39/69/08/587396908.db2.gz METPGUXWIICFRW-CZUORRHYSA-N 1 0 243.350 2.118 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC[S@](C)=O ZINC000827878562 587407257 /nfs/dbraw/zinc/40/72/57/587407257.db2.gz ZRAHPUDQWQHYBE-AWEZNQCLSA-N 1 0 217.378 2.043 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)CCOC)C1 ZINC000829784447 587513170 /nfs/dbraw/zinc/51/31/70/587513170.db2.gz KGTLAFMXZDPGTJ-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000829773892 587515170 /nfs/dbraw/zinc/51/51/70/587515170.db2.gz KLBHBINOICJNMT-OAHLLOKOSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCSCC)C1 ZINC000829785138 587516108 /nfs/dbraw/zinc/51/61/08/587516108.db2.gz REIVAEBKTNRJBE-LBPRGKRZSA-N 1 0 211.374 2.475 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC2(O)CCCC2)C1 ZINC000829784645 587516112 /nfs/dbraw/zinc/51/61/12/587516112.db2.gz LFIMMNHWNKCJFR-CYBMUJFWSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCn2nc(C)cc2C)C1 ZINC000829785368 587516247 /nfs/dbraw/zinc/51/62/47/587516247.db2.gz VBVDEEQYQGAUEB-HNNXBMFYSA-N 1 0 245.370 2.235 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCSC)C1 ZINC000829784436 587516601 /nfs/dbraw/zinc/51/66/01/587516601.db2.gz KFIDWJZGORYQLK-GFCCVEGCSA-N 1 0 211.374 2.475 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000829810463 587518314 /nfs/dbraw/zinc/51/83/14/587518314.db2.gz QBYOJTYOYNZYMJ-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCc2ccnn2CC)C1 ZINC000829810352 587518357 /nfs/dbraw/zinc/51/83/57/587518357.db2.gz OPORWIMGYWMAQX-AWEZNQCLSA-N 1 0 245.370 2.181 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccnc2OC)C1 ZINC000829811233 587519067 /nfs/dbraw/zinc/51/90/67/587519067.db2.gz ZRYHHDJCZRHAGB-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000829815711 587519547 /nfs/dbraw/zinc/51/95/47/587519547.db2.gz RPLVKXIQTHRTPG-LBPRGKRZSA-N 1 0 234.368 2.421 20 30 BEEDRO C#CC1CC[NH+](CCC(=O)OCCCC)CC1 ZINC000830305375 587545451 /nfs/dbraw/zinc/54/54/51/587545451.db2.gz MKLKXXLNEYYYMR-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000830305296 587545576 /nfs/dbraw/zinc/54/55/76/587545576.db2.gz KRWRCNNADALAOO-OAHLLOKOSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC1CC[NH+](Cc2ncccc2C)CC1 ZINC000830345858 587546823 /nfs/dbraw/zinc/54/68/23/587546823.db2.gz WNPWTMVCVAKZJC-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000830853833 587573949 /nfs/dbraw/zinc/57/39/49/587573949.db2.gz AVLUZBWTLYMDRK-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831010599 587582496 /nfs/dbraw/zinc/58/24/96/587582496.db2.gz YABZSVAXINBILT-AICCOOGYSA-N 1 0 246.354 2.059 20 30 BEEDRO C=CCCCN(C)C(=O)NCCCCCC[NH3+] ZINC000831263736 587594428 /nfs/dbraw/zinc/59/44/28/587594428.db2.gz OJSQCBUWVNQLMY-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C1(C)C ZINC000831309540 587597273 /nfs/dbraw/zinc/59/72/73/587597273.db2.gz WCWFGHGHKNEJPO-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000831359382 587600815 /nfs/dbraw/zinc/60/08/15/587600815.db2.gz VRBMMXXAZNZUES-NEPJUHHUSA-N 1 0 209.333 2.191 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000831527566 587616455 /nfs/dbraw/zinc/61/64/55/587616455.db2.gz GQYQGVBRCVRVGL-SCZZXKLOSA-N 1 0 203.713 2.096 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCSC(C)(C)C ZINC000831683369 587627320 /nfs/dbraw/zinc/62/73/20/587627320.db2.gz PTFZGYOBUUQFDT-MNOVXSKESA-N 1 0 229.389 2.451 20 30 BEEDRO C#CCCC[N@H+]1CCOc2ccc(OC)cc2C1 ZINC000831772886 587631447 /nfs/dbraw/zinc/63/14/47/587631447.db2.gz COXWGCJMLHRLMJ-UHFFFAOYSA-N 1 0 245.322 2.303 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832054407 587644060 /nfs/dbraw/zinc/64/40/60/587644060.db2.gz KASLSTBMAOBNRE-KGLIPLIRSA-N 1 0 249.354 2.017 20 30 BEEDRO C#CCC[N@@H+]1CCOCC12CCCCC2 ZINC000832174968 587648857 /nfs/dbraw/zinc/64/88/57/587648857.db2.gz DKCQPYBRAYTJLI-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000832336992 587655163 /nfs/dbraw/zinc/65/51/63/587655163.db2.gz DQKRMSSXLSACFU-NSHDSACASA-N 1 0 215.724 2.241 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000832629864 587670784 /nfs/dbraw/zinc/67/07/84/587670784.db2.gz ZTSSBCBLOPKFOQ-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(C)nn1C ZINC000834902092 587769886 /nfs/dbraw/zinc/76/98/86/587769886.db2.gz DQHYMNAODSPAQV-NSHDSACASA-N 1 0 207.321 2.345 20 30 BEEDRO CON=C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000834938803 587771772 /nfs/dbraw/zinc/77/17/72/587771772.db2.gz QVKUCOOPWPZLHQ-CYBMUJFWSA-N 1 0 220.316 2.138 20 30 BEEDRO Cc1ccc(CNN=C2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000835009469 587777524 /nfs/dbraw/zinc/77/75/24/587777524.db2.gz WXULTOOIAYBOJJ-HNNXBMFYSA-N 1 0 243.354 2.309 20 30 BEEDRO CC[C@@H](C#N)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835213098 587789416 /nfs/dbraw/zinc/78/94/16/587789416.db2.gz SOQDPHWKSRCFOF-ZDUSSCGKSA-N 1 0 246.310 2.207 20 30 BEEDRO CC#CCCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835288471 587794651 /nfs/dbraw/zinc/79/46/51/587794651.db2.gz YEPLIKNJOMKIDT-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000837094787 587853421 /nfs/dbraw/zinc/85/34/21/587853421.db2.gz JARQVEQEYJODON-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](Cc1cnc(CC)nc1)C(C)C ZINC000840910484 587929248 /nfs/dbraw/zinc/92/92/48/587929248.db2.gz NWOLTEKSNCKKAO-UHFFFAOYSA-N 1 0 219.332 2.435 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C#N)CC1 ZINC000840941942 587931077 /nfs/dbraw/zinc/93/10/77/587931077.db2.gz FPOQUUZTTDOPOP-UHFFFAOYSA-N 1 0 243.354 2.454 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](C)CCOC)cc1 ZINC000840955554 587931909 /nfs/dbraw/zinc/93/19/09/587931909.db2.gz SQOPPZWZOUZXNR-CYBMUJFWSA-N 1 0 231.339 2.430 20 30 BEEDRO CCC(=NNCC[NH+]1CCCCC1)[C@H]1C[C@@H]1C ZINC000841620819 587960727 /nfs/dbraw/zinc/96/07/27/587960727.db2.gz ZBNKASQXTHXKGJ-STQMWFEESA-N 1 0 237.391 2.484 20 30 BEEDRO CC(NNc1ccc(C)n[nH+]1)=C1CC1(F)F ZINC000841622916 587960947 /nfs/dbraw/zinc/96/09/47/587960947.db2.gz CEJBMYMBFSHQRW-QMMMGPOBSA-N 1 0 226.230 2.228 20 30 BEEDRO C#CCO[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841640199 587965162 /nfs/dbraw/zinc/96/51/62/587965162.db2.gz XYQBGAKRLLLOCY-UHFFFAOYSA-N 1 0 216.284 2.045 20 30 BEEDRO C=CCCCCCCNC(=O)NC[C@@H]([NH3+])CC ZINC000841903212 587983038 /nfs/dbraw/zinc/98/30/38/587983038.db2.gz KSOJRSSKLKDAOI-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC2(O)CCCCC2)c1 ZINC000842158482 588004541 /nfs/dbraw/zinc/00/45/41/588004541.db2.gz XIPBOCNRVAEYBX-UHFFFAOYSA-N 1 0 243.350 2.453 20 30 BEEDRO CCCO[NH+]=Cc1ccccc1N1CCOCC1 ZINC000842565015 588042653 /nfs/dbraw/zinc/04/26/53/588042653.db2.gz AIPFUIOELZMBSB-UHFFFAOYSA-N 1 0 248.326 2.284 20 30 BEEDRO C=CCCO[C@@H](C)c1nc([C@@H](C)C[NH2+]C)no1 ZINC000842584060 588044221 /nfs/dbraw/zinc/04/42/21/588044221.db2.gz ZBFMCDZOHBZVII-UWVGGRQHSA-N 1 0 239.319 2.046 20 30 BEEDRO C#CCC(C)(C)c1nc(C2([NH3+])CCCC2)no1 ZINC000842591762 588045128 /nfs/dbraw/zinc/04/51/28/588045128.db2.gz DRJKOFVMHAQNHR-UHFFFAOYSA-N 1 0 233.315 2.099 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000842847299 588069201 /nfs/dbraw/zinc/06/92/01/588069201.db2.gz WRPLTBRSFWHZTD-LBPRGKRZSA-N 1 0 231.343 2.283 20 30 BEEDRO C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CCC#N ZINC000843100430 588081248 /nfs/dbraw/zinc/08/12/48/588081248.db2.gz HPWQGDFTAKMUAB-GWCFXTLKSA-N 1 0 236.290 2.141 20 30 BEEDRO C=CCCCc1nc(C2CC[NH2+]CC2)no1 ZINC000843138175 588086335 /nfs/dbraw/zinc/08/63/35/588086335.db2.gz ZUKAVQLUELGJML-UHFFFAOYSA-N 1 0 221.304 2.045 20 30 BEEDRO C=CCC(C)(C)c1noc(CC[C@H]2CC[NH2+]C2)n1 ZINC000843234794 588094957 /nfs/dbraw/zinc/09/49/57/588094957.db2.gz ISFDOOPGCIAKLJ-NSHDSACASA-N 1 0 249.358 2.465 20 30 BEEDRO C=CCCc1noc(C[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000843237744 588095024 /nfs/dbraw/zinc/09/50/24/588095024.db2.gz FKVPHTKDEDGYBT-NEPJUHHUSA-N 1 0 249.358 2.366 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CC(C)C)C(C)C ZINC000843409066 588106856 /nfs/dbraw/zinc/10/68/56/588106856.db2.gz OGMRBOLFKBLTBY-CQSZACIVSA-N 1 0 233.359 2.287 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000843408391 588106893 /nfs/dbraw/zinc/10/68/93/588106893.db2.gz DUPXOTKYTPJNLU-CYBMUJFWSA-N 1 0 239.322 2.292 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(C)nn2)C1 ZINC000843423507 588107694 /nfs/dbraw/zinc/10/76/94/588107694.db2.gz NTTPEFVVERXTRO-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000843428706 588108430 /nfs/dbraw/zinc/10/84/30/588108430.db2.gz MUVRDLIZIZHTQV-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C=CCCCC(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000843992686 588154053 /nfs/dbraw/zinc/15/40/53/588154053.db2.gz UFXCBWGHZLOSSA-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000844205246 588173631 /nfs/dbraw/zinc/17/36/31/588173631.db2.gz UZEDQXCYFWGPAU-GFCCVEGCSA-N 1 0 236.359 2.134 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844444679 588193612 /nfs/dbraw/zinc/19/36/12/588193612.db2.gz SJHGPJHHRPWRCF-NSHDSACASA-N 1 0 231.286 2.310 20 30 BEEDRO C#CC[N@@H+]1CCc2ccc(F)cc2[C@H](C)C1 ZINC000844470560 588198082 /nfs/dbraw/zinc/19/80/82/588198082.db2.gz WZFFNNVQSJZWAQ-LLVKDONJSA-N 1 0 217.287 2.421 20 30 BEEDRO C=C[C@H](C)ON=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000844621946 588210027 /nfs/dbraw/zinc/21/00/27/588210027.db2.gz QGLQAXXMMZSWKI-UWVGGRQHSA-N 1 0 208.305 2.190 20 30 BEEDRO C=C[C@H](C)O[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000844625670 588210941 /nfs/dbraw/zinc/21/09/41/588210941.db2.gz OGCHXZCEGHAPDP-NSHDSACASA-N 1 0 233.315 2.463 20 30 BEEDRO C[C@H](CC(=O)OCCCCC#N)n1ccnc1 ZINC000845281353 588225315 /nfs/dbraw/zinc/22/53/15/588225315.db2.gz NIXJAAFTHNRZKO-LLVKDONJSA-N 1 0 235.287 2.071 20 30 BEEDRO C#CCCCC(=O)OC[C@H]1CC[N@H+]1C(C)(C)C ZINC000845737277 588242990 /nfs/dbraw/zinc/24/29/90/588242990.db2.gz XGQUVZFLTOIYID-GFCCVEGCSA-N 1 0 237.343 2.206 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1ccc(Cl)cc1 ZINC000121588599 588246503 /nfs/dbraw/zinc/24/65/03/588246503.db2.gz BQWQAXSBOPUCLV-GFCCVEGCSA-N 1 0 225.719 2.491 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)C2CC2)C1 ZINC000845939451 588251063 /nfs/dbraw/zinc/25/10/63/588251063.db2.gz ZLOVTWIZGQLOKY-WXHSDQCUSA-N 1 0 209.333 2.092 20 30 BEEDRO C#CCCC[NH2+][C@H](COC)CC(C)(C)C ZINC000845943195 588251292 /nfs/dbraw/zinc/25/12/92/588251292.db2.gz BBNMRZXODKLILJ-LBPRGKRZSA-N 1 0 211.349 2.441 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc2cnccc2o1 ZINC000845965339 588252102 /nfs/dbraw/zinc/25/21/02/588252102.db2.gz YAPFZUJYDWGWMA-JTQLQIEISA-N 1 0 214.268 2.281 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000845974576 588252434 /nfs/dbraw/zinc/25/24/34/588252434.db2.gz LVUOUCLHUFFEMS-NWDGAFQWSA-N 1 0 219.332 2.255 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1(C#N)CCCC1 ZINC000846011786 588253330 /nfs/dbraw/zinc/25/33/30/588253330.db2.gz ZEUKOBGAYDKOMD-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@]1(C)CC ZINC000846170148 588259003 /nfs/dbraw/zinc/25/90/03/588259003.db2.gz LXTMKHXXXOFSDF-GJZGRUSLSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC000846170150 588259113 /nfs/dbraw/zinc/25/91/13/588259113.db2.gz LXTMKHXXXOFSDF-HUUCEWRRSA-N 1 0 236.403 2.500 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000846694838 588283170 /nfs/dbraw/zinc/28/31/70/588283170.db2.gz RIRXMMBJYCSPSV-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846803981 588289133 /nfs/dbraw/zinc/28/91/33/588289133.db2.gz VLIYWLQNMPFMJP-UHFFFAOYSA-N 1 0 229.283 2.375 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1c(F)cccc1F ZINC000846808973 588289862 /nfs/dbraw/zinc/28/98/62/588289862.db2.gz WSIYFVSTZMSOMX-UHFFFAOYSA-N 1 0 247.288 2.466 20 30 BEEDRO C#CCCN1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000846838183 588292396 /nfs/dbraw/zinc/29/23/96/588292396.db2.gz WUQPOAKQDSXQCK-UHFFFAOYSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCCC[N@H+]1CCN(C)C2(CCCCC2)C1 ZINC000846943442 588298145 /nfs/dbraw/zinc/29/81/45/588298145.db2.gz SYDVMXVVKZVOCW-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000846996307 588300879 /nfs/dbraw/zinc/30/08/79/588300879.db2.gz WGKFEFPVGBXBMF-ZIAGYGMSSA-N 1 0 232.327 2.176 20 30 BEEDRO CCCCOC(=O)CC[NH2+][C@H](CC)CC#N ZINC000846995868 588300976 /nfs/dbraw/zinc/30/09/76/588300976.db2.gz UWBIPDMXKXLHDZ-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000847018521 588302089 /nfs/dbraw/zinc/30/20/89/588302089.db2.gz KVPPJQDDZPOUOT-HNNXBMFYSA-N 1 0 223.319 2.383 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000847019061 588302204 /nfs/dbraw/zinc/30/22/04/588302204.db2.gz OGBOBWBASOFURU-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCc2c(C)noc2C)C1 ZINC000847021349 588302748 /nfs/dbraw/zinc/30/27/48/588302748.db2.gz JUVQSOOLCKCRIS-CYBMUJFWSA-N 1 0 232.327 2.179 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCOC(C)(C)C)C1 ZINC000847022261 588302852 /nfs/dbraw/zinc/30/28/52/588302852.db2.gz SUOWJPGEIFLSGN-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000847023225 588303118 /nfs/dbraw/zinc/30/31/18/588303118.db2.gz BMFJSUBAGXTKMG-GDBMZVCRSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1 ZINC000847023197 588303351 /nfs/dbraw/zinc/30/33/51/588303351.db2.gz ZODJIIPSNORMTR-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(F)c2)C1 ZINC000847023047 588303398 /nfs/dbraw/zinc/30/33/98/588303398.db2.gz KTBPZQAGLWIVLS-DOMZBBRYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000847025665 588303528 /nfs/dbraw/zinc/30/35/28/588303528.db2.gz OAAAMQWTCKUDDK-OLZOCXBDSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000847025668 588303578 /nfs/dbraw/zinc/30/35/78/588303578.db2.gz OAAAMQWTCKUDDK-QWHCGFSZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000847025670 588303600 /nfs/dbraw/zinc/30/36/00/588303600.db2.gz OAAAMQWTCKUDDK-STQMWFEESA-N 1 0 214.312 2.488 20 30 BEEDRO C=CC(C)(C)C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847821026 588333971 /nfs/dbraw/zinc/33/39/71/588333971.db2.gz XTEWCCPGGVXGSZ-NSHDSACASA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCCCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847822803 588334287 /nfs/dbraw/zinc/33/42/87/588334287.db2.gz BFODFORYVQTHOV-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C[C@H](COC(=O)CCCC#N)[NH+]1CCCCC1 ZINC000847964126 588345968 /nfs/dbraw/zinc/34/59/68/588345968.db2.gz WSEBZWROAWNCBS-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO CC[C@H](C)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848409510 588379362 /nfs/dbraw/zinc/37/93/62/588379362.db2.gz YEISZYLMGQWDQZ-AAEUAGOBSA-N 1 0 223.364 2.379 20 30 BEEDRO CC[C@H](C)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848409512 588379551 /nfs/dbraw/zinc/37/95/51/588379551.db2.gz YEISZYLMGQWDQZ-WCQYABFASA-N 1 0 223.364 2.379 20 30 BEEDRO CCCCCCCC(=O)NC[C@H](C)C[NH3+] ZINC000107594119 588383765 /nfs/dbraw/zinc/38/37/65/588383765.db2.gz SLAHWYUOATTWHH-LLVKDONJSA-N 1 0 214.353 2.058 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cnn(CC)n1 ZINC000848563897 588397760 /nfs/dbraw/zinc/39/77/60/588397760.db2.gz YRWRMPNQDJZFNU-UHFFFAOYSA-N 1 0 222.336 2.134 20 30 BEEDRO C=C(Cl)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107801416 588409536 /nfs/dbraw/zinc/40/95/36/588409536.db2.gz SKRANFPLRNJZQP-JTQLQIEISA-N 1 0 203.713 2.097 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848904233 588418260 /nfs/dbraw/zinc/41/82/60/588418260.db2.gz NZLJLVXEBRLYRA-BQYQJAHWSA-N 1 0 235.283 2.084 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(CC)c1O ZINC000848907064 588419443 /nfs/dbraw/zinc/41/94/43/588419443.db2.gz HXTIFGKXHBFPDE-NSHDSACASA-N 1 0 217.312 2.408 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2(OC)CCCC2)C1 ZINC000848923259 588421343 /nfs/dbraw/zinc/42/13/43/588421343.db2.gz CAIHKOIFMYEFJN-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)nc2C)C1 ZINC000848924286 588421620 /nfs/dbraw/zinc/42/16/20/588421620.db2.gz PFIIGVSJVXJQLP-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000848924308 588421627 /nfs/dbraw/zinc/42/16/27/588421627.db2.gz PPVPHNWVHKFHRF-RYUDHWBXSA-N 1 0 209.358 2.085 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+]CC1CCC1 ZINC000848990918 588427023 /nfs/dbraw/zinc/42/70/23/588427023.db2.gz FHUYOKUHFOUUSQ-UHFFFAOYSA-N 1 0 245.370 2.494 20 30 BEEDRO CCCCCCCCNC(=[NH2+])N[C@@H](C)COC ZINC000848991943 588427327 /nfs/dbraw/zinc/42/73/27/588427327.db2.gz SCHHBYNCGDRJKE-LBPRGKRZSA-N 1 0 243.395 2.496 20 30 BEEDRO C[NH+]=C(NCCC1CCCCC1)NC1CC1 ZINC000848991644 588427601 /nfs/dbraw/zinc/42/76/01/588427601.db2.gz XKQWAGMCQFYATP-UHFFFAOYSA-N 1 0 223.364 2.284 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCC(C)(C)c2ccccc2)N1 ZINC000848997814 588429850 /nfs/dbraw/zinc/42/98/50/588429850.db2.gz KVKGIOKXWAVGGE-GFCCVEGCSA-N 1 0 245.370 2.292 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000849010578 588434663 /nfs/dbraw/zinc/43/46/63/588434663.db2.gz SOUCJTQOKNPZOO-ZIAGYGMSSA-N 1 0 243.354 2.308 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000849010353 588434821 /nfs/dbraw/zinc/43/48/21/588434821.db2.gz LBHQNZFDEQCUNX-GFCCVEGCSA-N 1 0 247.342 2.062 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NCC(C)(C)C#N)c1 ZINC000849017324 588437438 /nfs/dbraw/zinc/43/74/38/588437438.db2.gz RVDGCCZKEMBVDE-UHFFFAOYSA-N 1 0 230.315 2.481 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NCCCC#N)c1 ZINC000849017594 588437641 /nfs/dbraw/zinc/43/76/41/588437641.db2.gz VVFJTDRFIRSVFE-UHFFFAOYSA-N 1 0 216.288 2.235 20 30 BEEDRO C[C@@H](CCNC1=[NH+]CCN1C)CC(C)(C)C ZINC000849021093 588438756 /nfs/dbraw/zinc/43/87/56/588438756.db2.gz NWPODQHVMSVXFY-NSHDSACASA-N 1 0 225.380 2.340 20 30 BEEDRO CC(C)CNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026511 588441093 /nfs/dbraw/zinc/44/10/93/588441093.db2.gz HKIKDVGVVUHPER-UHFFFAOYSA-N 1 0 236.363 2.086 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH+]=C(NCc1ccccc1)N(C)C ZINC000849027782 588441289 /nfs/dbraw/zinc/44/12/89/588441289.db2.gz RMMIHKVZGAHFCN-OCCSQVGLSA-N 1 0 245.370 2.492 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCC(C)(C)COC ZINC000849028263 588441619 /nfs/dbraw/zinc/44/16/19/588441619.db2.gz GCXHDRICQBEYGU-UHFFFAOYSA-N 1 0 241.379 2.129 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCCC1(F)F ZINC000849032036 588443223 /nfs/dbraw/zinc/44/32/23/588443223.db2.gz JZZFEJUTUANWGP-VIFPVBQESA-N 1 0 231.290 2.112 20 30 BEEDRO C=C(C)CCNC(=[NH2+])NCc1ccccc1OC ZINC000849035371 588444757 /nfs/dbraw/zinc/44/47/57/588444757.db2.gz DDLHRASIMJRBEB-UHFFFAOYSA-N 1 0 247.342 2.275 20 30 BEEDRO C=C(C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849035778 588445043 /nfs/dbraw/zinc/44/50/43/588445043.db2.gz IFLHYVWTMIQJCX-NSHDSACASA-N 1 0 209.337 2.209 20 30 BEEDRO CC[C@@H]1CCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000849035813 588445110 /nfs/dbraw/zinc/44/51/10/588445110.db2.gz IUWXOTISIQQDFY-MNOVXSKESA-N 1 0 223.364 2.140 20 30 BEEDRO C[NH+]=C(NCCc1cc(C)ccc1F)NC1CC1 ZINC000849037378 588446043 /nfs/dbraw/zinc/44/60/43/588446043.db2.gz CSIXHBDTYGWLNL-UHFFFAOYSA-N 1 0 249.333 2.004 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])N[C@H](C)CC)c1 ZINC000849038725 588446316 /nfs/dbraw/zinc/44/63/16/588446316.db2.gz ZHHLCFCSFFCUJV-LLVKDONJSA-N 1 0 229.327 2.080 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000849038179 588446389 /nfs/dbraw/zinc/44/63/89/588446389.db2.gz JJPLDHHQACUBTC-UHFFFAOYSA-N 1 0 248.305 2.111 20 30 BEEDRO CC(C)(CC#N)CNC(=[NH2+])NC1CCCCC1 ZINC000849040233 588447531 /nfs/dbraw/zinc/44/75/31/588447531.db2.gz FNFNDKIESVUUIK-UHFFFAOYSA-N 1 0 236.363 2.373 20 30 BEEDRO N#CC1(CNC(=[NH2+])Nc2ccccc2)CCC1 ZINC000849043682 588448723 /nfs/dbraw/zinc/44/87/23/588448723.db2.gz QANNTKUZKORRRO-UHFFFAOYSA-N 1 0 228.299 2.317 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000849045163 588449533 /nfs/dbraw/zinc/44/95/33/588449533.db2.gz RWNCPSWHUFDKRF-JSGCOSHPSA-N 1 0 247.317 2.314 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC1CCC1)c1ccccc1 ZINC000849045234 588449537 /nfs/dbraw/zinc/44/95/37/588449537.db2.gz FWPFWFLWQMIQQE-CYBMUJFWSA-N 1 0 227.311 2.027 20 30 BEEDRO CNC(NCC1(c2ccccc2F)CCC1)=[NH+]C ZINC000849046780 588450326 /nfs/dbraw/zinc/45/03/26/588450326.db2.gz LFNIUAXLUWZZHI-UHFFFAOYSA-N 1 0 249.333 2.042 20 30 BEEDRO CCNC(N[C@@H]1C[C@H]1CC(C)(C)C)=[NH+]CC ZINC000849047318 588450641 /nfs/dbraw/zinc/45/06/41/588450641.db2.gz VAILFAAEOMXKKQ-WDEREUQCSA-N 1 0 225.380 2.386 20 30 BEEDRO C=CCCCCCNC(NCC)=[NH+]CC ZINC000849048360 588450942 /nfs/dbraw/zinc/45/09/42/588450942.db2.gz AUFNMHCBIARFKL-UHFFFAOYSA-N 1 0 211.353 2.308 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cccc(CC)c1 ZINC000849048500 588451178 /nfs/dbraw/zinc/45/11/78/588451178.db2.gz ICCYKAFVHXZXQW-UHFFFAOYSA-N 1 0 231.343 2.439 20 30 BEEDRO C=CCCCCCCCNC1=[NH+]CCCN1 ZINC000849214797 588461989 /nfs/dbraw/zinc/46/19/89/588461989.db2.gz RDCPXUKULLDDDC-UHFFFAOYSA-N 1 0 223.364 2.452 20 30 BEEDRO CCNC(NC1CC(C(C)(C)C)C1)=[NH+]CC ZINC000849214676 588462091 /nfs/dbraw/zinc/46/20/91/588462091.db2.gz DNZGXVQJMRVKTM-UHFFFAOYSA-N 1 0 225.380 2.386 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@H](Cc2ccccc2)C1 ZINC000849366930 588475810 /nfs/dbraw/zinc/47/58/10/588475810.db2.gz GDPYIBAZWGTEPE-HDUPEWFZSA-N 1 0 245.370 2.098 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@](C)(c2ccccc2)C1 ZINC000849366893 588475988 /nfs/dbraw/zinc/47/59/88/588475988.db2.gz HTEGKDVXWLLPIL-IDTYTIONSA-N 1 0 245.370 2.197 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1 ZINC000850342398 588537281 /nfs/dbraw/zinc/53/72/81/588537281.db2.gz RFWNHUOXNCQOEV-CQSZACIVSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1 ZINC000850342397 588537535 /nfs/dbraw/zinc/53/75/35/588537535.db2.gz RFWNHUOXNCQOEV-AWEZNQCLSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000850354427 588538571 /nfs/dbraw/zinc/53/85/71/588538571.db2.gz HKQBMVOYHLNWFU-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1C#N ZINC000850392068 588544000 /nfs/dbraw/zinc/54/40/00/588544000.db2.gz GGRKXBGDXOEMMN-AGGWBTHJSA-N 1 0 242.322 2.455 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC000850438714 588546458 /nfs/dbraw/zinc/54/64/58/588546458.db2.gz HZBJEJWVTBIZLA-LBPRGKRZSA-N 1 0 239.359 2.357 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850444453 588546907 /nfs/dbraw/zinc/54/69/07/588546907.db2.gz JUMNQTPRSYNYQT-GFCCVEGCSA-N 1 0 217.316 2.111 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)CSCCF ZINC000850445314 588546995 /nfs/dbraw/zinc/54/69/95/588546995.db2.gz RJGDKIBNFZAVEH-LLVKDONJSA-N 1 0 217.353 2.471 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850460308 588548133 /nfs/dbraw/zinc/54/81/33/588548133.db2.gz XHTAWICUIODBLA-NSHDSACASA-N 1 0 244.294 2.128 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)nc1 ZINC000850462836 588548560 /nfs/dbraw/zinc/54/85/60/588548560.db2.gz REJDJSGHKSFDPN-CYBMUJFWSA-N 1 0 227.311 2.376 20 30 BEEDRO C=CCCCCCC[NH2+][C@H](C)Cn1cncn1 ZINC000850469927 588548877 /nfs/dbraw/zinc/54/88/77/588548877.db2.gz VNTYUEYPTRYDOE-CYBMUJFWSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCN(C)OC ZINC000850478035 588549563 /nfs/dbraw/zinc/54/95/63/588549563.db2.gz MUUPYDRONOUFPO-CHWSQXEVSA-N 1 0 226.364 2.204 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCN(C)OC ZINC000850478298 588550173 /nfs/dbraw/zinc/55/01/73/588550173.db2.gz RKWWCFJHGNROID-GFCCVEGCSA-N 1 0 214.353 2.204 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000850532829 588557957 /nfs/dbraw/zinc/55/79/57/588557957.db2.gz XRDVUECENYBIAS-STQMWFEESA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000850532827 588558251 /nfs/dbraw/zinc/55/82/51/588558251.db2.gz XRDVUECENYBIAS-OLZOCXBDSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000850532826 588558282 /nfs/dbraw/zinc/55/82/82/588558282.db2.gz XRDVUECENYBIAS-CHWSQXEVSA-N 1 0 209.333 2.357 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2SCCS2)C1 ZINC000850561872 588560631 /nfs/dbraw/zinc/56/06/31/588560631.db2.gz UZVSRHSZNDNFDO-ZJUUUORDSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2sccc2[C@H]1C ZINC000851717098 588616474 /nfs/dbraw/zinc/61/64/74/588616474.db2.gz HTPYKHSOAPDZAD-LLVKDONJSA-N 1 0 235.352 2.317 20 30 BEEDRO C#CCOCC[N@@H+]1Cc2ccccc2[C@@H](C)C1 ZINC000851720598 588617062 /nfs/dbraw/zinc/61/70/62/588617062.db2.gz OKHNOKDXJUCVFD-ZDUSSCGKSA-N 1 0 229.323 2.256 20 30 BEEDRO C#CCOCC[N@@H+](CC)CC(CC)CC ZINC000851726394 588618143 /nfs/dbraw/zinc/61/81/43/588618143.db2.gz QGJAMCVZLRXUEY-UHFFFAOYSA-N 1 0 211.349 2.394 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1cccs1 ZINC000851727938 588618565 /nfs/dbraw/zinc/61/85/65/588618565.db2.gz BNJUXWQJRLXDOW-NSHDSACASA-N 1 0 223.341 2.391 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C#N)CC2)C1 ZINC000851739677 588620782 /nfs/dbraw/zinc/62/07/82/588620782.db2.gz DVXRSWOEDZISBV-OKILXGFUSA-N 1 0 249.402 2.200 20 30 BEEDRO C#CCOCC[N@H+](CCc1ccccc1)C1CC1 ZINC000851738117 588621007 /nfs/dbraw/zinc/62/10/07/588621007.db2.gz ARIDOUZNDBXPOH-UHFFFAOYSA-N 1 0 243.350 2.343 20 30 BEEDRO C#CCOCC[N@@H+](CC)CCc1cccs1 ZINC000851739290 588621030 /nfs/dbraw/zinc/62/10/30/588621030.db2.gz IESSULWZKXVJBG-UHFFFAOYSA-N 1 0 237.368 2.262 20 30 BEEDRO CO[C@H](C[NH+]1CCC(C#N)CC1)C1CCC1 ZINC000851740330 588621411 /nfs/dbraw/zinc/62/14/11/588621411.db2.gz OKIGZHDHYMIBPJ-CYBMUJFWSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)CC(C)(C)C ZINC000851749829 588622756 /nfs/dbraw/zinc/62/27/56/588622756.db2.gz NWOBCDIFMXVDEF-UHFFFAOYSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000851750754 588623366 /nfs/dbraw/zinc/62/33/66/588623366.db2.gz JOYKWWJAVOXUGG-UHFFFAOYSA-N 1 0 247.338 2.085 20 30 BEEDRO C=C1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851763929 588624661 /nfs/dbraw/zinc/62/46/61/588624661.db2.gz FVXJBEDBSVCDIE-GFCCVEGCSA-N 1 0 225.332 2.180 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000851767889 588625137 /nfs/dbraw/zinc/62/51/37/588625137.db2.gz DFDRXZYNTDINAO-CQSZACIVSA-N 1 0 232.327 2.013 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000851767888 588625181 /nfs/dbraw/zinc/62/51/81/588625181.db2.gz DFDRXZYNTDINAO-AWEZNQCLSA-N 1 0 232.327 2.013 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCC(=O)O1 ZINC000851781542 588628016 /nfs/dbraw/zinc/62/80/16/588628016.db2.gz ZVXOGIIDZLMTQE-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CC[C@@H](SCC)C1 ZINC000851792502 588629058 /nfs/dbraw/zinc/62/90/58/588629058.db2.gz POLGDBZDMOZKHT-CHWSQXEVSA-N 1 0 241.400 2.242 20 30 BEEDRO C#CC[N@@H+](CCO[C@@H]1CC1(F)F)C1CCCC1 ZINC000851808140 588631719 /nfs/dbraw/zinc/63/17/19/588631719.db2.gz KUQBLJIVIUCNOL-GFCCVEGCSA-N 1 0 243.297 2.288 20 30 BEEDRO C#CCOCC[NH+]1CCC(CC(C)C)CC1 ZINC000851810552 588632769 /nfs/dbraw/zinc/63/27/69/588632769.db2.gz IYQLMRWLSZDQTF-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1 ZINC000851824087 588633455 /nfs/dbraw/zinc/63/34/55/588633455.db2.gz BVPPJGNYYZBUJA-OAHLLOKOSA-N 1 0 245.322 2.179 20 30 BEEDRO C#CCOCC[NH2+][C@@H](c1ncccc1C)C(C)C ZINC000851844630 588634838 /nfs/dbraw/zinc/63/48/38/588634838.db2.gz ZYLIBBLWRNUXLA-CQSZACIVSA-N 1 0 246.354 2.327 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH+]2CCC(C)(C#N)CC2)C1 ZINC000851912111 588642739 /nfs/dbraw/zinc/64/27/39/588642739.db2.gz JLSAVYYYPGOSDM-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@H]1CC[C@H]([NH+]2CCC(C)(C#N)CC2)C1 ZINC000851912112 588642910 /nfs/dbraw/zinc/64/29/10/588642910.db2.gz JLSAVYYYPGOSDM-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000851922656 588644106 /nfs/dbraw/zinc/64/41/06/588644106.db2.gz JRBHZJLLNFUESQ-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000851924541 588644242 /nfs/dbraw/zinc/64/42/42/588644242.db2.gz PLNRZESVUKVZPN-LBPRGKRZSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@@H]1CCC ZINC000851935914 588645662 /nfs/dbraw/zinc/64/56/62/588645662.db2.gz YZAZYUXUSXGEJY-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)C1CCCC1)C1CC1 ZINC000851938425 588646279 /nfs/dbraw/zinc/64/62/79/588646279.db2.gz PICAGXQNXPPPOF-AWEZNQCLSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC(F)(F)F)C(C)C ZINC000851970193 588649683 /nfs/dbraw/zinc/64/96/83/588649683.db2.gz BWSKAKNWHQXNDO-JTQLQIEISA-N 1 0 237.265 2.203 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cccc(C)c1C ZINC000852076692 588659709 /nfs/dbraw/zinc/65/97/09/588659709.db2.gz YGHQJARRGNRLLX-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C#CCCC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000852091273 588661077 /nfs/dbraw/zinc/66/10/77/588661077.db2.gz GRVBNBJNEVTXHG-AWEZNQCLSA-N 1 0 246.354 2.144 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCCCCCC ZINC000852096401 588661974 /nfs/dbraw/zinc/66/19/74/588661974.db2.gz BGTPUZKFADSIBZ-AWEZNQCLSA-N 1 0 238.375 2.074 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000852098511 588662473 /nfs/dbraw/zinc/66/24/73/588662473.db2.gz OXIXGXVHYOOUBT-CQSZACIVSA-N 1 0 238.375 2.023 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1csc(C)n1 ZINC000852099706 588662726 /nfs/dbraw/zinc/66/27/26/588662726.db2.gz ABVYATKIORCJDQ-GFCCVEGCSA-N 1 0 222.357 2.386 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1csc(C)n1 ZINC000852099709 588662862 /nfs/dbraw/zinc/66/28/62/588662862.db2.gz ABVYATKIORCJDQ-LBPRGKRZSA-N 1 0 222.357 2.386 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1ccccc1C#N ZINC000852099035 588662919 /nfs/dbraw/zinc/66/29/19/588662919.db2.gz BVLRFYCFYPPWEN-OAHLLOKOSA-N 1 0 242.322 2.329 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCCCCCO ZINC000852101737 588663044 /nfs/dbraw/zinc/66/30/44/588663044.db2.gz HZFAQUVYQRJDAP-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCCn1ccnc1C ZINC000852101412 588663068 /nfs/dbraw/zinc/66/30/68/588663068.db2.gz PUFHWKBWGGGPIU-CQSZACIVSA-N 1 0 233.359 2.363 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCCn1ccnc1C ZINC000852101410 588663215 /nfs/dbraw/zinc/66/32/15/588663215.db2.gz PUFHWKBWGGGPIU-AWEZNQCLSA-N 1 0 233.359 2.363 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CCC(C)C ZINC000852103354 588663328 /nfs/dbraw/zinc/66/33/28/588663328.db2.gz FKBJKYJKEDYZLD-OLZOCXBDSA-N 1 0 211.349 2.175 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000852103294 588663391 /nfs/dbraw/zinc/66/33/91/588663391.db2.gz CXXBYTMPVVAEST-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000852103622 588663778 /nfs/dbraw/zinc/66/37/78/588663778.db2.gz MVJJSICSPIUPIA-HUUCEWRRSA-N 1 0 249.329 2.121 20 30 BEEDRO C#CCOCC[N@@H+](CC)C1CC(C)(C)C1 ZINC000852176010 588669424 /nfs/dbraw/zinc/66/94/24/588669424.db2.gz PSZCVJXFIBSUQT-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000852319277 588677800 /nfs/dbraw/zinc/67/78/00/588677800.db2.gz JGUMXNNAIHMVDU-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO CCOC(C[N@@H+]1CCC[C@@H](CC#N)C1)OCC ZINC000852319428 588678117 /nfs/dbraw/zinc/67/81/17/588678117.db2.gz MJWQMRYXQGLLHK-LBPRGKRZSA-N 1 0 240.347 2.011 20 30 BEEDRO C=CCN(Cc1cccc(F)n1)[C@H](C)COC ZINC000852356427 588679526 /nfs/dbraw/zinc/67/95/26/588679526.db2.gz DQAFWVQUUSCIRS-LLVKDONJSA-N 1 0 238.306 2.244 20 30 BEEDRO C=CCN(Cc1ccc(F)cn1)[C@H](C)COC ZINC000852356291 588679533 /nfs/dbraw/zinc/67/95/33/588679533.db2.gz AEBDLZJJIAVSMY-LLVKDONJSA-N 1 0 238.306 2.244 20 30 BEEDRO C=CC[N@H+](C/C=C\Cl)[C@@H](C)COC ZINC000852357601 588679909 /nfs/dbraw/zinc/67/99/09/588679909.db2.gz DYMLTDKDRYDLKC-OMMCCPJFSA-N 1 0 203.713 2.262 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000852410289 588681261 /nfs/dbraw/zinc/68/12/61/588681261.db2.gz LCROAUBTJYYSGS-QWHCGFSZSA-N 1 0 239.359 2.426 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000852411800 588681390 /nfs/dbraw/zinc/68/13/90/588681390.db2.gz VMQOJLJTADLTHC-NSHDSACASA-N 1 0 221.304 2.166 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000852410478 588681509 /nfs/dbraw/zinc/68/15/09/588681509.db2.gz MMZQIFAKGQASTG-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO C=CC[N@@H+](CCC1OCCCO1)C(C)(C)C ZINC000852554090 588689440 /nfs/dbraw/zinc/68/94/40/588689440.db2.gz BWBUGASTOPVTEQ-UHFFFAOYSA-N 1 0 227.348 2.426 20 30 BEEDRO C=CCC1([NH2+]C[C@H](O)C2CC2)CCCC1 ZINC000852588474 588691750 /nfs/dbraw/zinc/69/17/50/588691750.db2.gz SRMVKFCHGUMLAM-LBPRGKRZSA-N 1 0 209.333 2.236 20 30 BEEDRO C#CCCC[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852637059 588693658 /nfs/dbraw/zinc/69/36/58/588693658.db2.gz RASFADDPBRILSG-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000852648625 588694079 /nfs/dbraw/zinc/69/40/79/588694079.db2.gz BJSIQCDHDGPVHU-UHFFFAOYSA-N 1 0 233.355 2.291 20 30 BEEDRO C#CC[NH+]1CCC2(CCc3ccccc3O2)CC1 ZINC000852675679 588694953 /nfs/dbraw/zinc/69/49/53/588694953.db2.gz WIWWPWORHTUISC-UHFFFAOYSA-N 1 0 241.334 2.479 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)c1ccccn1 ZINC000852687352 588696277 /nfs/dbraw/zinc/69/62/77/588696277.db2.gz IWTLQYAPIWWOHT-GUTXKFCHSA-N 1 0 244.338 2.298 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCO[C@H](C)C#N ZINC000852687643 588696505 /nfs/dbraw/zinc/69/65/05/588696505.db2.gz MEPBUFUNAHJGDJ-UPJWGTAASA-N 1 0 220.316 2.098 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC000852714189 588697567 /nfs/dbraw/zinc/69/75/67/588697567.db2.gz DTKOHXSORLYTFA-MRVPVSSYSA-N 1 0 247.125 2.025 20 30 BEEDRO C#CCCCC(=O)OCC12CCC[NH+](CCC1)C2 ZINC000861360950 589161613 /nfs/dbraw/zinc/16/16/13/589161613.db2.gz NOZIRWUPKDTERG-UHFFFAOYSA-N 1 0 249.354 2.209 20 30 BEEDRO CCCCCCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000861638345 589172251 /nfs/dbraw/zinc/17/22/51/589172251.db2.gz IDOXCDNQYUULCV-LBPRGKRZSA-N 1 0 243.395 2.239 20 30 BEEDRO CCCCCCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000861655212 589173125 /nfs/dbraw/zinc/17/31/25/589173125.db2.gz HMMBJKWUIUIBEO-GFCCVEGCSA-N 1 0 241.379 2.090 20 30 BEEDRO CCCCCCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000861655388 589173315 /nfs/dbraw/zinc/17/33/15/589173315.db2.gz LUBZSQBCFXPZLL-UHFFFAOYSA-N 1 0 243.395 2.336 20 30 BEEDRO C#CCN(CC)Cc1cnc(C2CC2)o1 ZINC000862233687 589196385 /nfs/dbraw/zinc/19/63/85/589196385.db2.gz QGCSQWSYQJKBOC-UHFFFAOYSA-N 1 0 204.273 2.007 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(C)o1)C1CCCC1 ZINC000862250834 589197336 /nfs/dbraw/zinc/19/73/36/589197336.db2.gz QNVMBJIALUNUFC-UHFFFAOYSA-N 1 0 218.300 2.361 20 30 BEEDRO C#CCN(Cc1nc(C)c(C)[nH]1)C1CCCC1 ZINC000862250095 589197677 /nfs/dbraw/zinc/19/76/77/589197677.db2.gz DNKAPEUQEBPIHS-UHFFFAOYSA-N 1 0 231.343 2.404 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000862286179 589200063 /nfs/dbraw/zinc/20/00/63/589200063.db2.gz PPIPXCRBNDHBDD-UHFFFAOYSA-N 1 0 204.273 2.055 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000862369286 589203253 /nfs/dbraw/zinc/20/32/53/589203253.db2.gz ROQDPUNFMGWTSO-OLZOCXBDSA-N 1 0 236.403 2.497 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000862358550 589203328 /nfs/dbraw/zinc/20/33/28/589203328.db2.gz MSQYUBQWJTXZBW-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000862363386 589203890 /nfs/dbraw/zinc/20/38/90/589203890.db2.gz OPUYXYACXAPJOS-SECBINFHSA-N 1 0 238.281 2.142 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000862362718 589204060 /nfs/dbraw/zinc/20/40/60/589204060.db2.gz DKGZYIQHLHSJMZ-QWHCGFSZSA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000862364018 589204359 /nfs/dbraw/zinc/20/43/59/589204359.db2.gz YZWLOBBYNMBOGP-VIFPVBQESA-N 1 0 238.281 2.142 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000862403389 589209417 /nfs/dbraw/zinc/20/94/17/589209417.db2.gz ZNBYAORJXRLBTK-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000862418998 589212026 /nfs/dbraw/zinc/21/20/26/589212026.db2.gz MVZPXGTZSZSUSM-DDWPSWQVSA-N 1 0 247.382 2.439 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC000862439960 589212769 /nfs/dbraw/zinc/21/27/69/589212769.db2.gz CLNXHOCAJIDGJM-FPMFFAJLSA-N 1 0 242.322 2.429 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000862442108 589213272 /nfs/dbraw/zinc/21/32/72/589213272.db2.gz AODFDAMAIQOWOY-LBPRGKRZSA-N 1 0 215.296 2.237 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000862443006 589213493 /nfs/dbraw/zinc/21/34/93/589213493.db2.gz KIXFSQQSTPFCFE-GFCCVEGCSA-N 1 0 218.300 2.137 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000862444626 589213977 /nfs/dbraw/zinc/21/39/77/589213977.db2.gz DQQRAHRGMMGCFN-AWEZNQCLSA-N 1 0 245.370 2.365 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000862443735 589214121 /nfs/dbraw/zinc/21/41/21/589214121.db2.gz SVYPRDQAVJFWFQ-ZDUSSCGKSA-N 1 0 241.334 2.467 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(OCC)n2)C1 ZINC000862444768 589214322 /nfs/dbraw/zinc/21/43/22/589214322.db2.gz GUDKTXSZRDSXOA-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC000862445510 589214840 /nfs/dbraw/zinc/21/48/40/589214840.db2.gz VQHDCRBQQQDBJB-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccnn2CC(C)C)C1 ZINC000862448054 589215235 /nfs/dbraw/zinc/21/52/35/589215235.db2.gz WEEMXTIQVOINBV-AWEZNQCLSA-N 1 0 245.370 2.384 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCCSCC1 ZINC000862548782 589220390 /nfs/dbraw/zinc/22/03/90/589220390.db2.gz NVARVSPLYRPFDZ-CHWSQXEVSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCCSCC1 ZINC000862548783 589220574 /nfs/dbraw/zinc/22/05/74/589220574.db2.gz NVARVSPLYRPFDZ-OLZOCXBDSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000862551710 589220873 /nfs/dbraw/zinc/22/08/73/589220873.db2.gz XXIPKJVXQNSDNW-MGPQQGTHSA-N 1 0 221.344 2.359 20 30 BEEDRO C[N@@H+]1CCC(=NOCC(F)F)CC1(C)C ZINC000863108838 589257457 /nfs/dbraw/zinc/25/74/57/589257457.db2.gz XUQQPYYLLZHHJL-UHFFFAOYSA-N 1 0 220.263 2.128 20 30 BEEDRO CCc1cnc(C=NNc2cc[nH+]cc2C)s1 ZINC000863158307 589263917 /nfs/dbraw/zinc/26/39/17/589263917.db2.gz WIRTVUMRWXWLJD-UHFFFAOYSA-N 1 0 246.339 2.277 20 30 BEEDRO C=C(C)CCON=C(N)C1(OC)CCCC1 ZINC000863478061 589292000 /nfs/dbraw/zinc/29/20/00/589292000.db2.gz IOADVXOXLGXRQA-UHFFFAOYSA-N 1 0 226.320 2.410 20 30 BEEDRO CCCCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863550166 589298267 /nfs/dbraw/zinc/29/82/67/589298267.db2.gz ZXROITVOTYGLJF-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CCC(C)(C)c1noc(C2=CC[C@H]([NH3+])C2)n1 ZINC000863675425 589309838 /nfs/dbraw/zinc/30/98/38/589309838.db2.gz UMIQZMOWXDRXRS-JTQLQIEISA-N 1 0 233.315 2.428 20 30 BEEDRO C=CCC(C)(C)c1noc(C2=CC[C@@H]([NH3+])C2)n1 ZINC000863675426 589309917 /nfs/dbraw/zinc/30/99/17/589309917.db2.gz UMIQZMOWXDRXRS-SNVBAGLBSA-N 1 0 233.315 2.428 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864464514 589370320 /nfs/dbraw/zinc/37/03/20/589370320.db2.gz WVEVSVSNOXNMBV-VXGBXAGGSA-N 1 0 221.348 2.045 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864464513 589370578 /nfs/dbraw/zinc/37/05/78/589370578.db2.gz WVEVSVSNOXNMBV-RYUDHWBXSA-N 1 0 221.348 2.045 20 30 BEEDRO C=CCCCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864464494 589370626 /nfs/dbraw/zinc/37/06/26/589370626.db2.gz DHXXQEYGMRPGET-NSHDSACASA-N 1 0 209.337 2.209 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864465927 589370912 /nfs/dbraw/zinc/37/09/12/589370912.db2.gz FBIAWUUDSXSFEP-NSHDSACASA-N 1 0 223.364 2.455 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864467768 589371248 /nfs/dbraw/zinc/37/12/48/589371248.db2.gz YRYMRNFUESTUJS-VHSXEESVSA-N 1 0 209.337 2.111 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000864467424 589371620 /nfs/dbraw/zinc/37/16/20/589371620.db2.gz TVTZYSCWUVSIIE-XDTLVQLUSA-N 1 0 245.301 2.022 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCC1CC1)c1ccccc1 ZINC000864468045 589372182 /nfs/dbraw/zinc/37/21/82/589372182.db2.gz AJIWTLYMWQLBEA-AWEZNQCLSA-N 1 0 241.338 2.275 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CC[C@H](CC)C1)C(C)(C)C ZINC000864469858 589372936 /nfs/dbraw/zinc/37/29/36/589372936.db2.gz XNMLFXOYNQPJOO-RYUDHWBXSA-N 1 0 235.375 2.291 20 30 BEEDRO CC(C)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865399747 589432396 /nfs/dbraw/zinc/43/23/96/589432396.db2.gz VSDIBNFGOJMHAS-UHFFFAOYSA-N 1 0 231.343 2.370 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000120540408 589433724 /nfs/dbraw/zinc/43/37/24/589433724.db2.gz ULOQJVXOJJSKRD-STQMWFEESA-N 1 0 220.360 2.005 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000120540546 589434381 /nfs/dbraw/zinc/43/43/81/589434381.db2.gz ULOQJVXOJJSKRD-CHWSQXEVSA-N 1 0 220.360 2.005 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865469467 589438319 /nfs/dbraw/zinc/43/83/19/589438319.db2.gz OXCGXVJTWSGTET-XGNXJENSSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865478269 589439525 /nfs/dbraw/zinc/43/95/25/589439525.db2.gz YGPLVIQFZXMOGA-UHFFFAOYSA-N 1 0 226.682 2.377 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCCF ZINC000865495548 589441087 /nfs/dbraw/zinc/44/10/87/589441087.db2.gz NLPUMIYZLRHYAY-UHFFFAOYSA-N 1 0 235.306 2.073 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)s1 ZINC000865858935 589465576 /nfs/dbraw/zinc/46/55/76/589465576.db2.gz NMOQZBZNWBAQOY-OLZOCXBDSA-N 1 0 248.351 2.421 20 30 BEEDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3)CC[C@@H]21 ZINC000866208359 589480514 /nfs/dbraw/zinc/48/05/14/589480514.db2.gz UAPSZKYTPDNSNC-HIFRSBDPSA-N 1 0 241.338 2.089 20 30 BEEDRO C#CCCC[NH2+][C@@H]1c2ccccc2OC[C@@H]1F ZINC000866274084 589483879 /nfs/dbraw/zinc/48/38/79/589483879.db2.gz GKALFGVDTRWXIR-GXTWGEPZSA-N 1 0 233.286 2.461 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCCc2ncccc21 ZINC000866300877 589484908 /nfs/dbraw/zinc/48/49/08/589484908.db2.gz YKZZRQMTBMKGPX-CQSZACIVSA-N 1 0 246.379 2.415 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866300407 589484948 /nfs/dbraw/zinc/48/49/48/589484948.db2.gz WCEXTJJMSWIOQW-CYBMUJFWSA-N 1 0 248.395 2.359 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000866337740 589487092 /nfs/dbraw/zinc/48/70/92/589487092.db2.gz MAGUEBHIRCVCFM-DZGCQCFKSA-N 1 0 233.355 2.453 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C1CCN(C=O)CC1 ZINC000866428806 589492134 /nfs/dbraw/zinc/49/21/34/589492134.db2.gz GRLXRFOBVDGTOY-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000866539445 589499637 /nfs/dbraw/zinc/49/96/37/589499637.db2.gz LXZVGIXWCQKMSJ-BEAPCOKYSA-N 1 0 248.370 2.331 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCSC1)C2 ZINC000866616347 589504805 /nfs/dbraw/zinc/50/48/05/589504805.db2.gz XHNZBKQZGPYLFH-KGLIPLIRSA-N 1 0 244.363 2.121 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000123086130 589661144 /nfs/dbraw/zinc/66/11/44/589661144.db2.gz IELVAMQNEQYKFX-MNOVXSKESA-N 1 0 245.322 2.130 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000123103466 589662304 /nfs/dbraw/zinc/66/23/04/589662304.db2.gz YZVOOGFMSHIRGN-STQMWFEESA-N 1 0 229.364 2.038 20 30 BEEDRO C=CCC(C)(C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870547750 589673154 /nfs/dbraw/zinc/67/31/54/589673154.db2.gz JVSVTAXGMQTJNS-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCCCCCNC(=[NH2+])N(C)CCOC ZINC000871605754 589774913 /nfs/dbraw/zinc/77/49/13/589774913.db2.gz ITSXMPRVWQNQOU-UHFFFAOYSA-N 1 0 241.379 2.225 20 30 BEEDRO C=C(Cl)C[C@@H](N)c1nc(CC(C)C)no1 ZINC000871782287 589817251 /nfs/dbraw/zinc/81/72/51/589817251.db2.gz MVOKFOUKLSBVMG-MRVPVSSYSA-N 1 0 229.711 2.411 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@@H]1CCSC1 ZINC000871891160 589830524 /nfs/dbraw/zinc/83/05/24/589830524.db2.gz LRVKOBCFHLBZJV-VXGBXAGGSA-N 1 0 237.372 2.163 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CC[C@@H]1CCCS1 ZINC000871918272 589833162 /nfs/dbraw/zinc/83/31/62/589833162.db2.gz NQYUPVHALVXTNB-RYUDHWBXSA-N 1 0 237.372 2.305 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CCOC)CC1 ZINC000871938617 589835276 /nfs/dbraw/zinc/83/52/76/589835276.db2.gz CHZYSTHZNGUGJV-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872059065 589861699 /nfs/dbraw/zinc/86/16/99/589861699.db2.gz AOZWFLUCUSSMJP-SNVBAGLBSA-N 1 0 239.290 2.385 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872061497 589862735 /nfs/dbraw/zinc/86/27/35/589862735.db2.gz FGLMPLUJGGNHFH-NXEZZACHSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872078033 589865739 /nfs/dbraw/zinc/86/57/39/589865739.db2.gz ODBQNGHSGJQPEU-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCOC1 ZINC000872082225 589866201 /nfs/dbraw/zinc/86/62/01/589866201.db2.gz SKKFOYZEKLMEKE-IGQOVBAYSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000872103416 589870840 /nfs/dbraw/zinc/87/08/40/589870840.db2.gz ZSRUFOUMKGFJHS-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1 ZINC000872106095 589872846 /nfs/dbraw/zinc/87/28/46/589872846.db2.gz DVBNLOHCMVXDKX-QMVSFRDZSA-N 1 0 234.343 2.226 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000872107499 589873491 /nfs/dbraw/zinc/87/34/91/589873491.db2.gz YVTUMKDVPLXAPA-WOPDTQHZSA-N 1 0 222.332 2.083 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000872138877 589879678 /nfs/dbraw/zinc/87/96/78/589879678.db2.gz AFFRBRRIAXSGOW-XDQVBPFNSA-N 1 0 216.328 2.460 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000872139176 589880416 /nfs/dbraw/zinc/88/04/16/589880416.db2.gz HKSOIHCCACSLPC-MGPQQGTHSA-N 1 0 243.354 2.500 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCn3nccc32)CC1 ZINC000872139175 589880417 /nfs/dbraw/zinc/88/04/17/589880417.db2.gz HKSOIHCCACSLPC-IHRRRGAJSA-N 1 0 243.354 2.500 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)COCC)CC1 ZINC000872139514 589880434 /nfs/dbraw/zinc/88/04/34/589880434.db2.gz GUAGUIHYWVLSOL-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCC(O)CC2)CC1 ZINC000872139502 589880475 /nfs/dbraw/zinc/88/04/75/589880475.db2.gz KMVQKMUFHWWFSO-HXZBBRIXSA-N 1 0 221.344 2.072 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000872139220 589880520 /nfs/dbraw/zinc/88/05/20/589880520.db2.gz IEMSUTMMKACPTH-IHRRRGAJSA-N 1 0 243.354 2.189 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC1 ZINC000872139315 589880534 /nfs/dbraw/zinc/88/05/34/589880534.db2.gz BSINKYWFFNLUPJ-AJNGGQMLSA-N 1 0 246.398 2.393 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccn(C)n2)CC1 ZINC000872140204 589881162 /nfs/dbraw/zinc/88/11/62/589881162.db2.gz ZHAUDAJNZMKQGV-AVGNSLFASA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2nccn2C)CC1 ZINC000872140555 589881569 /nfs/dbraw/zinc/88/15/69/589881569.db2.gz QONMMNXNSWGDJR-JHJVBQTASA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cnn(C)c2)CC1 ZINC000872140745 589881572 /nfs/dbraw/zinc/88/15/72/589881572.db2.gz XGRGKADKNAALEQ-YRGRVCCFSA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)CC1 ZINC000872140744 589881928 /nfs/dbraw/zinc/88/19/28/589881928.db2.gz XGRGKADKNAALEQ-OBJOEFQTSA-N 1 0 231.343 2.263 20 30 BEEDRO C=CCCc1noc(/C=C/[C@@H]2CCC[NH2+]C2)n1 ZINC000872182317 589888801 /nfs/dbraw/zinc/88/88/01/589888801.db2.gz JFNWXJGGDDDSCK-AEZGRPFRSA-N 1 0 233.315 2.201 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](O)C1CC1 ZINC000872219201 589896116 /nfs/dbraw/zinc/89/61/16/589896116.db2.gz BTLARAHYNDBISY-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@H](O)COC(C)C ZINC000872242417 589899591 /nfs/dbraw/zinc/89/95/91/589899591.db2.gz DDKRISZFWGRQKW-ZDUSSCGKSA-N 1 0 243.391 2.354 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CCC[C@@H]2C=CCC2)CC1 ZINC000872245594 589900220 /nfs/dbraw/zinc/90/02/20/589900220.db2.gz DHBWMJBRZLMXKK-KGLIPLIRSA-N 1 0 248.370 2.377 20 30 BEEDRO Cc1cccc(N=NC2CC[N@H+](C)[C@H]2C)c1 ZINC000872325569 589910848 /nfs/dbraw/zinc/91/08/48/589910848.db2.gz WYDOUDDVMSWNAI-NSHDSACASA-N 1 0 217.316 2.487 20 30 BEEDRO CCC(CCC(F)(F)F)=[NH+]n1cnnc1 ZINC000872324475 589912639 /nfs/dbraw/zinc/91/26/39/589912639.db2.gz RYMBJAMKUVSZGP-UHFFFAOYSA-N 1 0 220.198 2.235 20 30 BEEDRO CC1(C)CCCCCC1=[NH+]n1cnnc1 ZINC000872324780 589913235 /nfs/dbraw/zinc/91/32/35/589913235.db2.gz ZOUIEFUKBGIKNU-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO C[NH+]1CCC(C=NOC2CCCC2)CC1 ZINC000872362660 589920018 /nfs/dbraw/zinc/92/00/18/589920018.db2.gz WWVLNDWSNNRMDT-UHFFFAOYSA-N 1 0 210.321 2.273 20 30 BEEDRO CCNc1ccccc1C=[NH+]NC1CC1 ZINC000872365182 589920417 /nfs/dbraw/zinc/92/04/17/589920417.db2.gz GIMFMIWADQJDOR-UHFFFAOYSA-N 1 0 203.289 2.204 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]N[C@@H]1CCCC1(C)C ZINC000872370532 589923199 /nfs/dbraw/zinc/92/31/99/589923199.db2.gz AIDUCWYLZNFKEC-GFCCVEGCSA-N 1 0 246.358 2.474 20 30 BEEDRO C=CCNN=C1CCC(C)([NH+](C)C)CC1 ZINC000872374226 589924361 /nfs/dbraw/zinc/92/43/61/589924361.db2.gz XVKNIUCEENEDKQ-UHFFFAOYSA-N 1 0 209.337 2.012 20 30 BEEDRO C1CC(ON=C2CCC[N@@H+]3CCSC[C@@H]23)C1 ZINC000872376605 589925408 /nfs/dbraw/zinc/92/54/08/589925408.db2.gz OAKCKENVSYRMTH-LBPRGKRZSA-N 1 0 240.372 2.123 20 30 BEEDRO C=C(C)CON=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872386426 589929912 /nfs/dbraw/zinc/92/99/12/589929912.db2.gz MGFKASIEJJKRNQ-GFCCVEGCSA-N 1 0 240.372 2.146 20 30 BEEDRO C[C@H]1CCCCN1N=CC1CC[NH+](C)CC1 ZINC000872388395 589931229 /nfs/dbraw/zinc/93/12/29/589931229.db2.gz HONAEONLZMWVOD-LBPRGKRZSA-N 1 0 223.364 2.188 20 30 BEEDRO Nc1ccc2c(c1)C(=[NH+]N1CCC1)CCC2 ZINC000872398208 589934482 /nfs/dbraw/zinc/93/44/82/589934482.db2.gz JMUFHNGRSXBHMZ-UHFFFAOYSA-N 1 0 215.300 2.015 20 30 BEEDRO C=CC1CC[NH+](CC(OCC)OCC)CC1 ZINC000124262394 589971700 /nfs/dbraw/zinc/97/17/00/589971700.db2.gz HXOJQCLWTBNBNG-UHFFFAOYSA-N 1 0 227.348 2.284 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCCC)c(C)c1 ZINC000873138016 589986305 /nfs/dbraw/zinc/98/63/05/589986305.db2.gz ADPKNNGHYCRJDM-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000873198085 589991866 /nfs/dbraw/zinc/99/18/66/589991866.db2.gz PENYBHLFLBEFLH-AULYBMBSSA-N 1 0 230.311 2.069 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccnn2CC)CC1 ZINC000873198505 589992097 /nfs/dbraw/zinc/99/20/97/589992097.db2.gz NNMLZZNDFVTTLS-JOCQHMNTSA-N 1 0 231.343 2.185 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cncn2CC)CC1 ZINC000873197948 589992105 /nfs/dbraw/zinc/99/21/05/589992105.db2.gz JTCOLWHIQJUKFP-JOCQHMNTSA-N 1 0 231.343 2.185 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccn(C)c2)CC1 ZINC000873198360 589992147 /nfs/dbraw/zinc/99/21/47/589992147.db2.gz GJYXUICFEUMGSV-MQMHXKEQSA-N 1 0 216.328 2.307 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nc(C)ccc2O)CC1 ZINC000873198699 589993057 /nfs/dbraw/zinc/99/30/57/589993057.db2.gz WPEOORQXSYUYHL-JOCQHMNTSA-N 1 0 244.338 2.377 20 30 BEEDRO C=C(Br)C[N@H+]1CCCCC[C@H]1CO ZINC000124825979 590091140 /nfs/dbraw/zinc/09/11/40/590091140.db2.gz PIJMQOBWORFPKS-JTQLQIEISA-N 1 0 248.164 2.132 20 30 BEEDRO [NH2+]=C(NCc1cccs1)N1CCCCCC1 ZINC000125865112 590193659 /nfs/dbraw/zinc/19/36/59/590193659.db2.gz DNSRPTOAEPUCOP-UHFFFAOYSA-N 1 0 237.372 2.439 20 30 BEEDRO CC[NH2+]Cc1cccc(NC(=O)C#CC2CC2)c1 ZINC000876509652 590204888 /nfs/dbraw/zinc/20/48/88/590204888.db2.gz MHXAAARZXPGTSP-UHFFFAOYSA-N 1 0 242.322 2.148 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCC[C@H]1CCO1 ZINC000876529999 590210033 /nfs/dbraw/zinc/21/00/33/590210033.db2.gz NJFFBXRFZHLXGP-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CCCCCCC[NH+]1CCC(O)CC1 ZINC000876540124 590212105 /nfs/dbraw/zinc/21/21/05/590212105.db2.gz GLXCBPGGXFSXPK-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(C)(C)C ZINC000876577150 590217637 /nfs/dbraw/zinc/21/76/37/590217637.db2.gz SBLQBRBCZWQDOT-SECBINFHSA-N 1 0 232.755 2.009 20 30 BEEDRO C=CC[N@@H+](C[C@@H](OC)C1CCOCC1)C(C)C ZINC000876598408 590220509 /nfs/dbraw/zinc/22/05/09/590220509.db2.gz WRWVRSBCSIKCHX-CQSZACIVSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)CC ZINC000876615230 590222425 /nfs/dbraw/zinc/22/24/25/590222425.db2.gz XTVZGERKEWDYFA-JEZHCXPESA-N 1 0 232.755 2.007 20 30 BEEDRO CCOC(=O)C[N@H+](C[C@H](C)CCC#N)C(C)C ZINC000876625498 590223601 /nfs/dbraw/zinc/22/36/01/590223601.db2.gz WTODSDOBIYOFBO-GFCCVEGCSA-N 1 0 240.347 2.200 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC1CCCC1 ZINC000876629231 590223665 /nfs/dbraw/zinc/22/36/65/590223665.db2.gz FDKGXTJETAMGQQ-NSHDSACASA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)CCC ZINC000876628125 590223671 /nfs/dbraw/zinc/22/36/71/590223671.db2.gz GEADRIAHFJVXFY-ZJUUUORDSA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(C)(C)CC1 ZINC000876646616 590225503 /nfs/dbraw/zinc/22/55/03/590225503.db2.gz WYTXZIBVVWRMKR-SNVBAGLBSA-N 1 0 244.766 2.105 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH+]1CCC(C#N)CC1)OC ZINC000876652703 590226461 /nfs/dbraw/zinc/22/64/61/590226461.db2.gz HTLQBXFHUPCWRC-DGCLKSJQSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(CC)CCC1 ZINC000876658561 590227081 /nfs/dbraw/zinc/22/70/81/590227081.db2.gz ZHCZIAYDBCBXOX-JTQLQIEISA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCC[C@H]1C ZINC000876663438 590227248 /nfs/dbraw/zinc/22/72/48/590227248.db2.gz VNQZFDQWZDHMCH-GHMZBOCLSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)CC[C@H]1C ZINC000876669989 590228736 /nfs/dbraw/zinc/22/87/36/590228736.db2.gz CWNLXHXFPKLNTM-IEBDPFPHSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@@H]1CC ZINC000876670153 590228841 /nfs/dbraw/zinc/22/88/41/590228841.db2.gz HLYLEILIUMHGSO-MIMYLULJSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000876741087 590235151 /nfs/dbraw/zinc/23/51/51/590235151.db2.gz IQUXWGVHORUVEM-OKILXGFUSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCCCCCC[NH+]1CCC(C)(O)CC1 ZINC000876746690 590237334 /nfs/dbraw/zinc/23/73/34/590237334.db2.gz OFAVBYQAVKZPBK-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000876815037 590246015 /nfs/dbraw/zinc/24/60/15/590246015.db2.gz MUCJTGKUUIYNSV-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C[NH2+]Cc1ccc(NC(=O)C#CC(C)(C)C)cc1 ZINC000876862211 590251032 /nfs/dbraw/zinc/25/10/32/590251032.db2.gz KSSNASBSKJAWTF-UHFFFAOYSA-N 1 0 244.338 2.394 20 30 BEEDRO C#CCCCCCC[NH2+]CCCn1ccnc1 ZINC000876885578 590253689 /nfs/dbraw/zinc/25/36/89/590253689.db2.gz PEGIYSVRDAZAHL-UHFFFAOYSA-N 1 0 233.359 2.447 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(C#N)n1 ZINC000876917767 590256933 /nfs/dbraw/zinc/25/69/33/590256933.db2.gz VZFIYDFTMVBKFZ-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)Cn1ccnc1 ZINC000876930494 590258381 /nfs/dbraw/zinc/25/83/81/590258381.db2.gz XQQSBUKSXLLLPM-CQSZACIVSA-N 1 0 233.359 2.445 20 30 BEEDRO Cc1cc(C[NH3+])cc(NC(=O)C#CC(C)(C)C)c1 ZINC000876933077 590258627 /nfs/dbraw/zinc/25/86/27/590258627.db2.gz DXMTXLWZZRIILX-UHFFFAOYSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]([NH3+])CC(=C)Cl ZINC000876952750 590260529 /nfs/dbraw/zinc/26/05/29/590260529.db2.gz VSMYECALJAIPIK-LLVKDONJSA-N 1 0 244.766 2.319 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](C)N1CCCCC1 ZINC000876956595 590260811 /nfs/dbraw/zinc/26/08/11/590260811.db2.gz LPFYTJXRSHTTBZ-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000876959764 590261280 /nfs/dbraw/zinc/26/12/80/590261280.db2.gz XGNOMELNUGIIFC-IEBDPFPHSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC000876960646 590261607 /nfs/dbraw/zinc/26/16/07/590261607.db2.gz JBWLLUCTMWSKQQ-WCBMZHEXSA-N 1 0 232.755 2.009 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC000876973418 590262829 /nfs/dbraw/zinc/26/28/29/590262829.db2.gz FXAMRZQGWDKTBI-WDEREUQCSA-N 1 0 244.766 2.007 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC000876976409 590263538 /nfs/dbraw/zinc/26/35/38/590263538.db2.gz LJCJNWXORFSIBP-SNVBAGLBSA-N 1 0 244.766 2.151 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)C1(C)CC1 ZINC000876976930 590263902 /nfs/dbraw/zinc/26/39/02/590263902.db2.gz PPYMYCQYLDZQOY-JTQLQIEISA-N 1 0 215.300 2.231 20 30 BEEDRO C#CCCCCCC[NH2+]CCCC(=O)N(C)C ZINC000876980694 590264571 /nfs/dbraw/zinc/26/45/71/590264571.db2.gz HZHZEKGEGDIEET-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO CCCCCCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876988660 590265757 /nfs/dbraw/zinc/26/57/57/590265757.db2.gz IPPRXBMSSWNBDA-NWDGAFQWSA-N 1 0 244.354 2.021 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876991576 590266195 /nfs/dbraw/zinc/26/61/95/590266195.db2.gz ZZCADGVVGWWJMZ-MNOVXSKESA-N 1 0 238.375 2.078 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000876995479 590267019 /nfs/dbraw/zinc/26/70/19/590267019.db2.gz ZGEKONKWEBTTCS-GFCCVEGCSA-N 1 0 244.338 2.184 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCC)CC(C)C ZINC000877032075 590271663 /nfs/dbraw/zinc/27/16/63/590271663.db2.gz YHAYQDDNCKFJCN-LLVKDONJSA-N 1 0 246.782 2.351 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877048436 590274477 /nfs/dbraw/zinc/27/44/77/590274477.db2.gz KZCBHJULLQABAQ-QMMMGPOBSA-N 1 0 238.183 2.136 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)[C@@H](C)CO ZINC000877058100 590275756 /nfs/dbraw/zinc/27/57/56/590275756.db2.gz UYKLEUBCUAYOCK-QWHCGFSZSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877070059 590277284 /nfs/dbraw/zinc/27/72/84/590277284.db2.gz KGMNPPWYCKFXAA-UHFFFAOYSA-N 1 0 233.702 2.110 20 30 BEEDRO C[C@](O)(C[NH2+]C1CCC(C#N)CC1)c1ccco1 ZINC000877072065 590277810 /nfs/dbraw/zinc/27/78/10/590277810.db2.gz HFYMIKYNJXNLHE-YIZWMMSDSA-N 1 0 248.326 2.159 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+]CCC2CC2)c1 ZINC000877072947 590277842 /nfs/dbraw/zinc/27/78/42/590277842.db2.gz YLSSLOKTVITCJB-UHFFFAOYSA-N 1 0 235.718 2.496 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)CC[S@](C)=O ZINC000877088136 590280849 /nfs/dbraw/zinc/28/08/49/590280849.db2.gz BLRVUQBYCIJAGM-CJNGLKHVSA-N 1 0 243.416 2.317 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@@H](O)CC ZINC000877111969 590287356 /nfs/dbraw/zinc/28/73/56/590287356.db2.gz PKLKZOFYNALQBC-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(F)n1 ZINC000877115998 590288172 /nfs/dbraw/zinc/28/81/72/590288172.db2.gz ZQRIDJHNCXOMDB-JTQLQIEISA-N 1 0 221.279 2.250 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1nc(Cl)cs1 ZINC000877131081 590289842 /nfs/dbraw/zinc/28/98/42/590289842.db2.gz UFYCUDQXPIRDOQ-MRVPVSSYSA-N 1 0 246.763 2.071 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](C)N(C)C ZINC000877149832 590292613 /nfs/dbraw/zinc/29/26/13/590292613.db2.gz HROMBXICLUFEQR-ZDUSSCGKSA-N 1 0 210.365 2.110 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877153131 590293019 /nfs/dbraw/zinc/29/30/19/590293019.db2.gz FLCYKKCSWWFHBQ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCCCCCC[NH2+][C@](C)(CO)C1CC1 ZINC000877158483 590293906 /nfs/dbraw/zinc/29/39/06/590293906.db2.gz IMHVCIAMGJPJFB-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C[C@@H](C)O ZINC000877196327 590299686 /nfs/dbraw/zinc/29/96/86/590299686.db2.gz XPKBBRGRQOAQAT-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCC1CC1 ZINC000877241975 590302140 /nfs/dbraw/zinc/30/21/40/590302140.db2.gz YTDOMTGEYQPKCS-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@H](C)C[S@@](C)=O ZINC000877326628 590306909 /nfs/dbraw/zinc/30/69/09/590306909.db2.gz ZWUGDQMQOZQAQQ-CZUORRHYSA-N 1 0 243.416 2.269 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000877304208 590311119 /nfs/dbraw/zinc/31/11/19/590311119.db2.gz VKLBIYINOQZGTR-NSHDSACASA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000877321293 590316207 /nfs/dbraw/zinc/31/62/07/590316207.db2.gz HOEVFVLEMZTODW-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1ccc(C[NH2+]CC(C)(C)C#N)c(O)c1 ZINC000877322653 590317055 /nfs/dbraw/zinc/31/70/55/590317055.db2.gz AMZDKHYYWHXOTP-UHFFFAOYSA-N 1 0 218.300 2.340 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1ccnn1C ZINC000877362971 590318678 /nfs/dbraw/zinc/31/86/78/590318678.db2.gz LWVFKCNNNQNSCJ-UHFFFAOYSA-N 1 0 233.359 2.136 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000877344744 590318902 /nfs/dbraw/zinc/31/89/02/590318902.db2.gz NMPMELHGRNZOFV-NWDGAFQWSA-N 1 0 232.331 2.486 20 30 BEEDRO COC(=O)CCC(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000877355287 590318956 /nfs/dbraw/zinc/31/89/56/590318956.db2.gz HWQNXCQCAOMIQM-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391832 590322241 /nfs/dbraw/zinc/32/22/41/590322241.db2.gz DPWJJGNKURFHDQ-DZGCQCFKSA-N 1 0 248.370 2.156 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)C/C=C/C ZINC000877404638 590324185 /nfs/dbraw/zinc/32/41/85/590324185.db2.gz DAXXDGUERYDOJF-YVARQFDVSA-N 1 0 223.360 2.487 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)C/C=C\C ZINC000877404636 590324299 /nfs/dbraw/zinc/32/42/99/590324299.db2.gz DAXXDGUERYDOJF-SDQPKGBYSA-N 1 0 223.360 2.487 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)cn1)CC(C)C ZINC000877460909 590331237 /nfs/dbraw/zinc/33/12/37/590331237.db2.gz XWTKJJDOBGOUDK-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C(=O)N(C)CC ZINC000877469392 590335336 /nfs/dbraw/zinc/33/53/36/590335336.db2.gz UKLPZPHKAQQXBK-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877479565 590337548 /nfs/dbraw/zinc/33/75/48/590337548.db2.gz DYRBPXKAYBXMMZ-GFCCVEGCSA-N 1 0 241.338 2.078 20 30 BEEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]CCC#N ZINC000877483589 590337937 /nfs/dbraw/zinc/33/79/37/590337937.db2.gz OOYNHGOLDSGNFM-BONVTDFDSA-N 1 0 232.264 2.213 20 30 BEEDRO CSC(C)(C)CC[NH2+]CC1(C#N)CC1 ZINC000877493868 590340635 /nfs/dbraw/zinc/34/06/35/590340635.db2.gz IYSCGGSZXJFCTK-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](CC(C)C)OC)C(C)C ZINC000877513070 590343529 /nfs/dbraw/zinc/34/35/29/590343529.db2.gz KIWVINUTJMNQIY-CHWSQXEVSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1cnc(C)nc1C)C(C)C ZINC000877513125 590343683 /nfs/dbraw/zinc/34/36/83/590343683.db2.gz LNMAAWLAXHETER-RISCZKNCSA-N 1 0 231.343 2.402 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](CC(C)C)OC)C(C)C ZINC000877513073 590343874 /nfs/dbraw/zinc/34/38/74/590343874.db2.gz KIWVINUTJMNQIY-STQMWFEESA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(C)C ZINC000877513116 590343968 /nfs/dbraw/zinc/34/39/68/590343968.db2.gz LHZOPRGWKKDKAW-DGAVXFQQSA-N 1 0 233.355 2.191 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](OC)[C@H](C)CC)C(C)C ZINC000877512942 590344002 /nfs/dbraw/zinc/34/40/02/590344002.db2.gz GPLXQYBGFIJDMW-FRRDWIJNSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)C(C)C ZINC000877513377 590344060 /nfs/dbraw/zinc/34/40/60/590344060.db2.gz TXYVELABYCYIFP-CYBMUJFWSA-N 1 0 245.370 2.046 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000877513410 590344258 /nfs/dbraw/zinc/34/42/58/590344258.db2.gz VHMVUFZSXBQUEH-CYBMUJFWSA-N 1 0 230.311 2.146 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000877512772 590344264 /nfs/dbraw/zinc/34/42/64/590344264.db2.gz AVURPKCSRKXAFT-PWSUYJOCSA-N 1 0 217.316 2.156 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000877512795 590344282 /nfs/dbraw/zinc/34/42/82/590344282.db2.gz BTOBJAJTMQOVKP-YPMHNXCESA-N 1 0 232.327 2.023 20 30 BEEDRO C#C[C@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877514401 590344409 /nfs/dbraw/zinc/34/44/09/590344409.db2.gz MTKGFVNSFVNKHB-ZDUSSCGKSA-N 1 0 201.313 2.457 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)[C@@H](OC)c1ccccc1 ZINC000877514437 590344611 /nfs/dbraw/zinc/34/46/11/590344611.db2.gz OBIRPFCNRBABIZ-OUCADQQQSA-N 1 0 217.312 2.374 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000877514439 590344740 /nfs/dbraw/zinc/34/47/40/590344740.db2.gz OBIRPFCNRBABIZ-SGMGOOAPSA-N 1 0 217.312 2.374 20 30 BEEDRO COc1cccc(C[NH2+]C[C@@H](C)CCC#N)c1O ZINC000877525886 590347850 /nfs/dbraw/zinc/34/78/50/590347850.db2.gz MIYRPLTVXPUFNZ-NSHDSACASA-N 1 0 248.326 2.430 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000877595814 590369876 /nfs/dbraw/zinc/36/98/76/590369876.db2.gz IIGIOQGPECIHSL-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)CCO ZINC000877614726 590371819 /nfs/dbraw/zinc/37/18/19/590371819.db2.gz GYRANWJYOPPGCU-ZDUSSCGKSA-N 1 0 211.349 2.273 20 30 BEEDRO N#CC1CCC([NH2+]CC2SCCS2)CC1 ZINC000877638929 590372643 /nfs/dbraw/zinc/37/26/43/590372643.db2.gz SINDGWULBXDQTD-UHFFFAOYSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000877623722 590376900 /nfs/dbraw/zinc/37/69/00/590376900.db2.gz YHZLNBVXLYREMX-OLZOCXBDSA-N 1 0 246.358 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000877629545 590377543 /nfs/dbraw/zinc/37/75/43/590377543.db2.gz VEPBXHITUADZGU-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000877635676 590380617 /nfs/dbraw/zinc/38/06/17/590380617.db2.gz BGERMLNWDZKYTG-GHMZBOCLSA-N 1 0 247.729 2.448 20 30 BEEDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000877636755 590380748 /nfs/dbraw/zinc/38/07/48/590380748.db2.gz HKMNLWUUKPKAPC-AWEZNQCLSA-N 1 0 230.311 2.436 20 30 BEEDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000877636757 590380776 /nfs/dbraw/zinc/38/07/76/590380776.db2.gz HKMNLWUUKPKAPC-CQSZACIVSA-N 1 0 230.311 2.436 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1SCCS1 ZINC000877638691 590381423 /nfs/dbraw/zinc/38/14/23/590381423.db2.gz LOMUCMDIIZIHMU-SECBINFHSA-N 1 0 230.402 2.322 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000877651306 590385392 /nfs/dbraw/zinc/38/53/92/590385392.db2.gz WIBRFMQOUJHWCI-LBPRGKRZSA-N 1 0 223.385 2.475 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1ccc[nH]c1=O ZINC000877658961 590385918 /nfs/dbraw/zinc/38/59/18/590385918.db2.gz ZIZMJWIZOYAZAB-UHFFFAOYSA-N 1 0 232.327 2.461 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CCc1ccc(C)cc1 ZINC000877661912 590388049 /nfs/dbraw/zinc/38/80/49/590388049.db2.gz JPLFSDWEGFBRDU-OAHLLOKOSA-N 1 0 231.339 2.165 20 30 BEEDRO C=C(Cl)C[C@H](NC[C@@H]1C[C@H]1C)C(=O)OCC ZINC000877672082 590389333 /nfs/dbraw/zinc/38/93/33/590389333.db2.gz VXFFIFRKPPCVMI-MIMYLULJSA-N 1 0 245.750 2.306 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccnc(F)c1 ZINC000877698124 590393957 /nfs/dbraw/zinc/39/39/57/590393957.db2.gz QAHDHPCJXRUTAR-JTQLQIEISA-N 1 0 221.279 2.250 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(C(=O)OC)C1 ZINC000877722003 590401616 /nfs/dbraw/zinc/40/16/16/590401616.db2.gz IGFOWHMZZIKKJD-QKEWWQLBSA-N 1 0 225.332 2.128 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H]2C[C@]2(C(=O)OC)C1 ZINC000877724546 590402647 /nfs/dbraw/zinc/40/26/47/590402647.db2.gz QLVOIBPENYNQRH-NMKXLXIOSA-N 1 0 237.343 2.272 20 30 BEEDRO CC(C)(O)C1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000877753662 590417303 /nfs/dbraw/zinc/41/73/03/590417303.db2.gz JBOGNATTZRYZGP-UHFFFAOYSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877753854 590417333 /nfs/dbraw/zinc/41/73/33/590417333.db2.gz NGVAURTZLHBSNI-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@H](O)C1CCCC1 ZINC000877777470 590422631 /nfs/dbraw/zinc/42/26/31/590422631.db2.gz AZMUIXUJVRAQIX-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]C1CCC(C#N)CC1 ZINC000877778348 590423271 /nfs/dbraw/zinc/42/32/71/590423271.db2.gz MWEPRVGTHKNYNF-IGJPJIBNSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@]1(OC)CCOC1 ZINC000877803399 590424743 /nfs/dbraw/zinc/42/47/43/590424743.db2.gz FKWQZNDCNCNLTH-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000877833561 590429902 /nfs/dbraw/zinc/42/99/02/590429902.db2.gz IPNJLVCXZFMQQY-SAZUREKKSA-N 1 0 243.350 2.461 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ncc(C)o2)CC1 ZINC000877834665 590430667 /nfs/dbraw/zinc/43/06/67/590430667.db2.gz WRSCDFRGPNRIHQ-HAQNSBGRSA-N 1 0 218.300 2.265 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)CC1 ZINC000877834768 590430718 /nfs/dbraw/zinc/43/07/18/590430718.db2.gz YKGHGHGZBMBCHG-MGPQQGTHSA-N 1 0 219.328 2.461 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000877834060 590430824 /nfs/dbraw/zinc/43/08/24/590430824.db2.gz OKEQZZYJRIQWPU-MGPQQGTHSA-N 1 0 221.344 2.195 20 30 BEEDRO CC1([NH2+][C@H]2CC[C@H](C#N)C2)CC(F)(F)C1 ZINC000877834867 590431242 /nfs/dbraw/zinc/43/12/42/590431242.db2.gz YUBCOOTUODHEJH-IUCAKERBSA-N 1 0 214.259 2.456 20 30 BEEDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000877917042 590446809 /nfs/dbraw/zinc/44/68/09/590446809.db2.gz NJANZEWFOMTQHD-GASCZTMLSA-N 1 0 244.338 2.415 20 30 BEEDRO C=CC[C@@H](C(=O)OC)N(CC)CC(=C)C ZINC000877934477 590450813 /nfs/dbraw/zinc/45/08/13/590450813.db2.gz BPRBDZWYRMTZRT-NSHDSACASA-N 1 0 211.305 2.002 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](NC(=O)OCC)C1 ZINC000877963403 590459524 /nfs/dbraw/zinc/45/95/24/590459524.db2.gz KXOVHFBGLVBNCH-RYUDHWBXSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[NH+]1CCC(C)(C)CC1 ZINC000878038426 590476792 /nfs/dbraw/zinc/47/67/92/590476792.db2.gz JZUFXUIXYXMAQG-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000878058940 590484514 /nfs/dbraw/zinc/48/45/14/590484514.db2.gz DVVVRRLAZWUBHA-CHWSQXEVSA-N 1 0 219.332 2.485 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000878093327 590491289 /nfs/dbraw/zinc/49/12/89/590491289.db2.gz IEBMXGCRFALWJH-RYUDHWBXSA-N 1 0 249.310 2.187 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)CC ZINC000878093091 590491564 /nfs/dbraw/zinc/49/15/64/590491564.db2.gz FAGNYPNGHHFXEN-QWRGUYRKSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(C2CCC2)CC1 ZINC000878104485 590494786 /nfs/dbraw/zinc/49/47/86/590494786.db2.gz MMZSUAXEPPNLGR-GFCCVEGCSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(OCCOC)CC1 ZINC000878111528 590497409 /nfs/dbraw/zinc/49/74/09/590497409.db2.gz HCYJPBIVHRPFPX-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000878131524 590502964 /nfs/dbraw/zinc/50/29/64/590502964.db2.gz RZVDAMBYVPFYDJ-CYBMUJFWSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC2(CCCC2)C1 ZINC000878149326 590504505 /nfs/dbraw/zinc/50/45/05/590504505.db2.gz OFZYZEPVZNMUKP-LBPRGKRZSA-N 1 0 237.343 2.370 20 30 BEEDRO C#CC[NH+](CC#C)CC[C@@H]1CCCC1(F)F ZINC000878151698 590508338 /nfs/dbraw/zinc/50/83/38/590508338.db2.gz DBJJUFVQGJFVAN-LBPRGKRZSA-N 1 0 225.282 2.380 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000878157961 590509325 /nfs/dbraw/zinc/50/93/25/590509325.db2.gz PZAXNHCAZCXSJJ-QWHCGFSZSA-N 1 0 233.359 2.249 20 30 BEEDRO CC[C@](C)(CC(=O)OC)[NH2+]CC1(CC#N)CC1 ZINC000878268666 590532518 /nfs/dbraw/zinc/53/25/18/590532518.db2.gz HEVVHHJTSZYMHO-GFCCVEGCSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310994 590541340 /nfs/dbraw/zinc/54/13/40/590541340.db2.gz XIHQUTHIMFLPEK-KGLIPLIRSA-N 1 0 235.375 2.117 20 30 BEEDRO C#CCCCCC[N@@H+](C)CCc1cnccn1 ZINC000878338218 590550329 /nfs/dbraw/zinc/55/03/29/590550329.db2.gz YPLDFBQLCMYOLF-UHFFFAOYSA-N 1 0 231.343 2.145 20 30 BEEDRO C#CCCCCC[N@H+]1CCOCC[C@H]1C ZINC000878372595 590555297 /nfs/dbraw/zinc/55/52/97/590555297.db2.gz DFWXHMNFNZXUJV-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(c2ccc(F)cn2)CC1 ZINC000878374460 590556232 /nfs/dbraw/zinc/55/62/32/590556232.db2.gz SDWBSPSXVOTHBE-GFCCVEGCSA-N 1 0 249.333 2.307 20 30 BEEDRO C=CC[C@H](C)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000878384698 590557915 /nfs/dbraw/zinc/55/79/15/590557915.db2.gz GKEHROKQUHPUAD-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878383366 590558274 /nfs/dbraw/zinc/55/82/74/590558274.db2.gz OMPGPFQCWCRUHP-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO CC(C)[C@H](O)CC[NH+]1CCC(C)(C#N)CC1 ZINC000878389473 590558587 /nfs/dbraw/zinc/55/85/87/590558587.db2.gz JHBNFQFJAUMGSK-GFCCVEGCSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@H](N[C@@H]1CCCC[C@@H]1C)C(=O)OC ZINC000878414619 590563041 /nfs/dbraw/zinc/56/30/41/590563041.db2.gz NXNFIZCHPAOCTF-TUAOUCFPSA-N 1 0 225.332 2.272 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)c1nnc(C)o1 ZINC000878427756 590564939 /nfs/dbraw/zinc/56/49/39/590564939.db2.gz WPHGTYNXZUXORR-SNVBAGLBSA-N 1 0 221.304 2.222 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+](CC)CCC1CC1 ZINC000878432359 590565976 /nfs/dbraw/zinc/56/59/76/590565976.db2.gz BHYNQPSRKQPTEU-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C1CC1 ZINC000878434148 590567035 /nfs/dbraw/zinc/56/70/35/590567035.db2.gz HEHNYWITUPWKDM-UBHSHLNASA-N 1 0 219.328 2.042 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCCC(C)(C)O1)C1CC1 ZINC000878434016 590567418 /nfs/dbraw/zinc/56/74/18/590567418.db2.gz GGGFDYAUPUULRL-CYBMUJFWSA-N 1 0 221.344 2.432 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(O)(C(F)F)CC1 ZINC000878465852 590572756 /nfs/dbraw/zinc/57/27/56/590572756.db2.gz YCGGNHBCNMMPKQ-VIFPVBQESA-N 1 0 219.275 2.043 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@@](O)(CC)C1 ZINC000878466299 590573337 /nfs/dbraw/zinc/57/33/37/590573337.db2.gz NQAMMEBGYBCMTL-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C[C@H](CO)[N@H+](Cc1ccc(C#N)o1)C1CCCC1 ZINC000878475058 590574257 /nfs/dbraw/zinc/57/42/57/590574257.db2.gz HQNWAKFULNPRDR-LLVKDONJSA-N 1 0 248.326 2.277 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@]1(CC)CO ZINC000878486561 590577985 /nfs/dbraw/zinc/57/79/85/590577985.db2.gz UIZFNWCTBGSKCH-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000878514228 590584486 /nfs/dbraw/zinc/58/44/86/590584486.db2.gz PAVBVTFWWUYRCS-LBPRGKRZSA-N 1 0 245.322 2.170 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1ccc(C)c(Cl)n1 ZINC000878518003 590585376 /nfs/dbraw/zinc/58/53/76/590585376.db2.gz XWEGTJRRUFKYKM-SNVBAGLBSA-N 1 0 222.719 2.497 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000878618681 590596988 /nfs/dbraw/zinc/59/69/88/590596988.db2.gz DMMKOIPLJRWOFM-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000878633129 590598134 /nfs/dbraw/zinc/59/81/34/590598134.db2.gz QUPGXBPAOSGDKD-OLZOCXBDSA-N 1 0 219.332 2.403 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000878652510 590602564 /nfs/dbraw/zinc/60/25/64/590602564.db2.gz RQISRFSEXBBNRW-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC#CCN(C)Cc1nc2c(o1)CCCC2 ZINC000878656427 590602971 /nfs/dbraw/zinc/60/29/71/590602971.db2.gz OWJDWTLGEFFNSL-UHFFFAOYSA-N 1 0 218.300 2.009 20 30 BEEDRO C#CCCCCC[N@H+](C1CC1)C1COC1 ZINC000878658659 590603893 /nfs/dbraw/zinc/60/38/93/590603893.db2.gz STDLMZLQXQIVRC-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000878675218 590607807 /nfs/dbraw/zinc/60/78/07/590607807.db2.gz MURBDBHCSADJHJ-XQQFMLRXSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C/C=C/CC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000878679931 590608771 /nfs/dbraw/zinc/60/87/71/590608771.db2.gz DZJUFYOQXREWLB-PBJSTTKNSA-N 1 0 207.317 2.442 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000878698146 590610361 /nfs/dbraw/zinc/61/03/61/590610361.db2.gz BJWNQFADMFQRIF-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO 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/nfs/dbraw/zinc/03/89/77/591038977.db2.gz YAYAVMCZGUCUJB-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1cccc(C#N)c1F ZINC000880440005 591042338 /nfs/dbraw/zinc/04/23/38/591042338.db2.gz PSZPACMSVOJDJC-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CCCC(C)(C)C#N ZINC000880439410 591043178 /nfs/dbraw/zinc/04/31/78/591043178.db2.gz XXYOJWAAJBJKEA-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCC#N)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473591 591053661 /nfs/dbraw/zinc/05/36/61/591053661.db2.gz JRQDYFUHANVAKT-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CCC1(O)CC[NH+](CC/C=C\CC)CC1 ZINC000880481736 591055818 /nfs/dbraw/zinc/05/58/18/591055818.db2.gz ZXLUECJSXJAJOA-WAYWQWQTSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[N@H+]1Cc2ccccc2N2CCC[C@H]2C1 ZINC000880557388 591090001 /nfs/dbraw/zinc/09/00/01/591090001.db2.gz REXLJYJSSGVSEX-AWEZNQCLSA-N 1 0 226.323 2.104 20 30 BEEDRO CC[NH+](CC)CCNc1ccc(C)nc1C#N ZINC000881732385 591267715 /nfs/dbraw/zinc/26/77/15/591267715.db2.gz GDQSJVCAWGTBNU-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CCCC1(CNC(=[NH2+])NC(C)C)CCC1 ZINC000129201300 591269202 /nfs/dbraw/zinc/26/92/02/591269202.db2.gz HMKSLQQTUXEEAY-UHFFFAOYSA-N 1 0 211.353 2.270 20 30 BEEDRO Cc1ccc(N[C@H](C)CC[NH+](C)C)c(C#N)n1 ZINC000881859229 591274956 /nfs/dbraw/zinc/27/49/56/591274956.db2.gz YPGZDFUIYNFYKV-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO Cc1ccc(NCC2CC[NH+](C)CC2)c(C#N)n1 ZINC000881894554 591277075 /nfs/dbraw/zinc/27/70/75/591277075.db2.gz GZMCCSSACZZUGS-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO CCCCCCCC[NH2+]Cc1cnnn1C ZINC000129697331 591379602 /nfs/dbraw/zinc/37/96/02/591379602.db2.gz XSSHFHVLSAWCRR-UHFFFAOYSA-N 1 0 224.352 2.265 20 30 BEEDRO C=C(Cl)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129767791 591401876 /nfs/dbraw/zinc/40/18/76/591401876.db2.gz UHBYNHQEJBBFJR-KOLCDFICSA-N 1 0 216.756 2.059 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000129990752 591427752 /nfs/dbraw/zinc/42/77/52/591427752.db2.gz JGTDHKYTXXMDHE-LLVKDONJSA-N 1 0 241.400 2.289 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccoc1 ZINC000130001298 591428629 /nfs/dbraw/zinc/42/86/29/591428629.db2.gz NSAHNWFOQNWDIC-SNVBAGLBSA-N 1 0 209.314 2.297 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000130441949 591472802 /nfs/dbraw/zinc/47/28/02/591472802.db2.gz KOLBQBVVCCENJW-JTQLQIEISA-N 1 0 221.300 2.455 20 30 BEEDRO CCNC(NCC1(C2CC2)CCC1)=[NH+]CC ZINC000130526068 591479886 /nfs/dbraw/zinc/47/98/86/591479886.db2.gz MRUYTBJDKASAAH-UHFFFAOYSA-N 1 0 223.364 2.142 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NCC1(C2CC2)CCC1 ZINC000130669064 591496672 /nfs/dbraw/zinc/49/66/72/591496672.db2.gz VOECBEQTFZGYIN-UHFFFAOYSA-N 1 0 235.375 2.271 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130665187 591496802 /nfs/dbraw/zinc/49/68/02/591496802.db2.gz XDICEIZQXGBDRR-UHFFFAOYSA-N 1 0 221.348 2.047 20 30 BEEDRO C#CCCCC[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000130744268 591514000 /nfs/dbraw/zinc/51/40/00/591514000.db2.gz SJWSQPXKQZEZRU-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883150003 591553722 /nfs/dbraw/zinc/55/37/22/591553722.db2.gz RBNGCCIYJYICTP-AAEUAGOBSA-N 1 0 249.358 2.214 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)nn1 ZINC000883149500 591553739 /nfs/dbraw/zinc/55/37/39/591553739.db2.gz CAKCMJKUOQKOFW-CLLJXQQHSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@H]([NH2+]CCSC)[C@@H]1CCCO1 ZINC000883165297 591558707 /nfs/dbraw/zinc/55/87/07/591558707.db2.gz BHEUPGQSJGSODI-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)COC)[C@H]1CCCO1 ZINC000883177654 591563261 /nfs/dbraw/zinc/56/32/61/591563261.db2.gz FOGLZANYVQGQMM-MELADBBJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)[C@H]1CCCO1 ZINC000883187448 591566759 /nfs/dbraw/zinc/56/67/59/591566759.db2.gz OHOGFKZMODVYER-QWHCGFSZSA-N 1 0 235.331 2.013 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)CCO)[C@@H]1CCCO1 ZINC000883194517 591569645 /nfs/dbraw/zinc/56/96/45/591569645.db2.gz XTWKKOARXJRZDN-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCC#N)[C@H]1CCCO1 ZINC000883216703 591575604 /nfs/dbraw/zinc/57/56/04/591575604.db2.gz USOHRCWOMQULQQ-CHWSQXEVSA-N 1 0 222.332 2.394 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cocn1)[C@H]1CCCO1 ZINC000883211745 591575738 /nfs/dbraw/zinc/57/57/38/591575738.db2.gz UYEHKNCHHJDDBB-CHWSQXEVSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCCCO)[C@H]1CCCO1 ZINC000883219118 591576460 /nfs/dbraw/zinc/57/64/60/591576460.db2.gz MNGRLWJNIDCZAO-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCO1 ZINC000883218094 591576710 /nfs/dbraw/zinc/57/67/10/591576710.db2.gz UFGWRRRTRQAHFU-STQMWFEESA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCCO1 ZINC000883225818 591577183 /nfs/dbraw/zinc/57/71/83/591577183.db2.gz NLDSJTMBJHLMII-MGPQQGTHSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000883227020 591578730 /nfs/dbraw/zinc/57/87/30/591578730.db2.gz JTFWUMHPQMBTEX-STQMWFEESA-N 1 0 241.375 2.230 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)[C@@H]1CCCO1 ZINC000883227917 591578763 /nfs/dbraw/zinc/57/87/63/591578763.db2.gz AWWIKCJNGRLGPP-SYQHCUMBSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@H]1CCCO1 ZINC000883227918 591579181 /nfs/dbraw/zinc/57/91/81/591579181.db2.gz AWWIKCJNGRLGPP-XJFOESAGSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](C)OC)[C@@H]1CCCO1 ZINC000883235091 591581074 /nfs/dbraw/zinc/58/10/74/591581074.db2.gz UPDOQFSWFUZNAN-XQQFMLRXSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ncccn1)[C@@H]1CCCO1 ZINC000883235434 591582289 /nfs/dbraw/zinc/58/22/89/591582289.db2.gz CBKFLLPNXMDMRV-OLZOCXBDSA-N 1 0 247.342 2.080 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CC(C(F)F)C2)n1 ZINC000883313488 591612129 /nfs/dbraw/zinc/61/21/29/591612129.db2.gz FLJUOIQQKVMWDU-UHFFFAOYSA-N 1 0 243.282 2.148 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000883320031 591614828 /nfs/dbraw/zinc/61/48/28/591614828.db2.gz YGBKUAYBCVAGQB-NDBYEHHHSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCN1CC ZINC000883353702 591624823 /nfs/dbraw/zinc/62/48/23/591624823.db2.gz ATPWQGXSTXNLMC-AVGNSLFASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCN1CC ZINC000883354551 591624883 /nfs/dbraw/zinc/62/48/83/591624883.db2.gz YBJDOCYQQLXJOO-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN1CC)C1CC1 ZINC000883355386 591625858 /nfs/dbraw/zinc/62/58/58/591625858.db2.gz PRUWVEKQQGPWBW-KBPBESRZSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN2CC)C1 ZINC000883356961 591627730 /nfs/dbraw/zinc/62/77/30/591627730.db2.gz ZMJAJPVIDKGGTJ-HZSPNIEDSA-N 1 0 222.376 2.415 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000883356327 591627757 /nfs/dbraw/zinc/62/77/57/591627757.db2.gz LDOTYOUGMSESSG-ROKHWSDSSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CC1(NCc2nc(C#N)cs2)CCCC1 ZINC000883362823 591630942 /nfs/dbraw/zinc/63/09/42/591630942.db2.gz OKHRPGUCLCQQOX-UHFFFAOYSA-N 1 0 231.324 2.050 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(F)nc2)CCCC1 ZINC000883363285 591631670 /nfs/dbraw/zinc/63/16/70/591631670.db2.gz ZPHCUFOCKVORRD-UHFFFAOYSA-N 1 0 218.275 2.256 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000883392753 591639029 /nfs/dbraw/zinc/63/90/29/591639029.db2.gz OADSCKNOOXXVGL-QJPTWQEYSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccco1 ZINC000883389351 591640573 /nfs/dbraw/zinc/64/05/73/591640573.db2.gz OYJIEXPHVHUEKI-GHMZBOCLSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](CC)C1CCOCC1 ZINC000883389991 591641057 /nfs/dbraw/zinc/64/10/57/591641057.db2.gz CNOYMPMIROVZAG-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C ZINC000883389554 591641736 /nfs/dbraw/zinc/64/17/36/591641736.db2.gz TXFOVZIQLOVDTK-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCC3(COC3)CC2)o1 ZINC000883390241 591641914 /nfs/dbraw/zinc/64/19/14/591641914.db2.gz IKNUWZKFZOLHQY-UHFFFAOYSA-N 1 0 246.310 2.200 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1ccncc1 ZINC000883390985 591642740 /nfs/dbraw/zinc/64/27/40/591642740.db2.gz YZEWHGGQXVILER-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CC1CCC1 ZINC000883390970 591642941 /nfs/dbraw/zinc/64/29/41/591642941.db2.gz YXKIWXUNJUCGBI-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CCC1CC1 ZINC000883391135 591643032 /nfs/dbraw/zinc/64/30/32/591643032.db2.gz CUXMQAHEAKQOLE-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000883390774 591643044 /nfs/dbraw/zinc/64/30/44/591643044.db2.gz TYESIGLRMJAFTA-AAEUAGOBSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000883390529 591643047 /nfs/dbraw/zinc/64/30/47/591643047.db2.gz OETYNHHCLUGDDP-SWLSCSKDSA-N 1 0 249.354 2.157 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cncs1 ZINC000883390871 591643158 /nfs/dbraw/zinc/64/31/58/591643158.db2.gz WTUKDWVBJYQXNA-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000883391348 591643674 /nfs/dbraw/zinc/64/36/74/591643674.db2.gz INFFLQPFFVEEDQ-CHWSQXEVSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000883391209 591643778 /nfs/dbraw/zinc/64/37/78/591643778.db2.gz GDCPVZKNFWDOJQ-UPJWGTAASA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCCc2cccnc21 ZINC000883391506 591644044 /nfs/dbraw/zinc/64/40/44/591644044.db2.gz MAUVNNJDPJHUHX-ZIAGYGMSSA-N 1 0 246.354 2.376 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000883392878 591645362 /nfs/dbraw/zinc/64/53/62/591645362.db2.gz PYYIYWLVVOFBQJ-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc2cccnc2o1 ZINC000883400560 591646925 /nfs/dbraw/zinc/64/69/25/591646925.db2.gz PPORTAXRVISKIX-LBPRGKRZSA-N 1 0 246.310 2.245 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1 ZINC000883400689 591646979 /nfs/dbraw/zinc/64/69/79/591646979.db2.gz SLAAMNKLPWIMPF-CYBMUJFWSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(SC)o1 ZINC000883400221 591647040 /nfs/dbraw/zinc/64/70/40/591647040.db2.gz HHMPOIAPHTZIQO-JTQLQIEISA-N 1 0 241.356 2.418 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1csc(C)c1 ZINC000883400660 591647165 /nfs/dbraw/zinc/64/71/65/591647165.db2.gz SAXYKQREGWLVQL-GFCCVEGCSA-N 1 0 225.357 2.473 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(COC)c1 ZINC000883400785 591647478 /nfs/dbraw/zinc/64/74/78/591647478.db2.gz VFCQMYUGZSBDOR-OAHLLOKOSA-N 1 0 249.354 2.250 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cnc(CC)s1 ZINC000883400118 591647741 /nfs/dbraw/zinc/64/77/41/591647741.db2.gz DZNZDAWVFLPLBS-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)CC(=C)C)cc1 ZINC000883400869 591648509 /nfs/dbraw/zinc/64/85/09/591648509.db2.gz XKHGHAQNRMKNEH-OAHLLOKOSA-N 1 0 229.323 2.085 20 30 BEEDRO C#Cc1ccc(CN[C@@H](C)C(F)F)cc1 ZINC000883407263 591650207 /nfs/dbraw/zinc/65/02/07/591650207.db2.gz PYJMWPSLCONTIZ-VIFPVBQESA-N 1 0 209.239 2.411 20 30 BEEDRO C=CC[C@H](C)N1CC2CCC1(C[NH3+])CC2 ZINC000883435385 591666107 /nfs/dbraw/zinc/66/61/07/591666107.db2.gz RLXZIPVFJQVFPX-HIFPTAJRSA-N 1 0 208.349 2.154 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000883509043 591685211 /nfs/dbraw/zinc/68/52/11/591685211.db2.gz LUVXRFZOQNPLMS-GVXVVHGQSA-N 1 0 238.375 2.173 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000884013613 591799253 /nfs/dbraw/zinc/79/92/53/591799253.db2.gz NTISZMKXKGPWEC-VXGBXAGGSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019302 591801836 /nfs/dbraw/zinc/80/18/36/591801836.db2.gz PWBZLNQVINYGCO-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000884041396 591823019 /nfs/dbraw/zinc/82/30/19/591823019.db2.gz WVSTUOOGQSTDIB-UHFFFAOYSA-N 1 0 238.375 2.317 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cccnc1Cl ZINC000133646449 591846010 /nfs/dbraw/zinc/84/60/10/591846010.db2.gz DXPBBMFPUDDEIC-UHFFFAOYSA-N 1 0 227.695 2.180 20 30 BEEDRO CN(C)C(=[NH2+])NCC(C)(C)C1CCCC1 ZINC000133886522 591866776 /nfs/dbraw/zinc/86/67/76/591866776.db2.gz WSIBZJCXUHUIJI-UHFFFAOYSA-N 1 0 211.353 2.079 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC000884291864 591896039 /nfs/dbraw/zinc/89/60/39/591896039.db2.gz JUYRRKLPKOJTLR-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC1CC[NH2+]CC1 ZINC000884389305 591921925 /nfs/dbraw/zinc/92/19/25/591921925.db2.gz USKBUTDPAOQYST-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)C1 ZINC000884429506 591931720 /nfs/dbraw/zinc/93/17/20/591931720.db2.gz LFLIDJFJGAOLLA-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[C@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000884594253 591990916 /nfs/dbraw/zinc/99/09/16/591990916.db2.gz DBWWWFIFGZWUGZ-LBPRGKRZSA-N 1 0 200.285 2.240 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216269995 592015371 /nfs/dbraw/zinc/01/53/71/592015371.db2.gz IBLDSYXIFJRDBO-HUUCEWRRSA-N 1 0 244.338 2.466 20 30 BEEDRO C=CC[N@H+](C[C@H]1C[C@]12CCOC2)C(C)C ZINC000885960840 592116317 /nfs/dbraw/zinc/11/63/17/592116317.db2.gz QMOYWFCAXLTGOV-OLZOCXBDSA-N 1 0 209.333 2.309 20 30 BEEDRO CC1(C)CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885983268 592121407 /nfs/dbraw/zinc/12/14/07/592121407.db2.gz BLHSNRUBACSNSX-LBPRGKRZSA-N 1 0 236.359 2.306 20 30 BEEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC1CC1 ZINC000886005970 592128661 /nfs/dbraw/zinc/12/86/61/592128661.db2.gz LTDOUTSRFFKQKH-ZDUSSCGKSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H]1C[C@@]12CCOC2 ZINC000886017141 592132340 /nfs/dbraw/zinc/13/23/40/592132340.db2.gz SMEYYGFPYQJVFW-ZIAGYGMSSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(Cl)cn1 ZINC000886056961 592141231 /nfs/dbraw/zinc/14/12/31/592141231.db2.gz ABIKDDLSUMFEAQ-SNVBAGLBSA-N 1 0 240.734 2.009 20 30 BEEDRO C=CC[N@H+](C[C@@H]1C[C@@]12CCOC2)C1CC1 ZINC000886104934 592155424 /nfs/dbraw/zinc/15/54/24/592155424.db2.gz OKRYEJXEWAXLQA-WCQYABFASA-N 1 0 207.317 2.063 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1[nH]nc(C)c1C ZINC000886104723 592155696 /nfs/dbraw/zinc/15/56/96/592155696.db2.gz JAUIDYSQHMQPCF-LLVKDONJSA-N 1 0 207.321 2.471 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886111674 592156092 /nfs/dbraw/zinc/15/60/92/592156092.db2.gz GMYLJQHSAIBVGH-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886116341 592156863 /nfs/dbraw/zinc/15/68/63/592156863.db2.gz GIQNGQFGZAZZNQ-STQMWFEESA-N 1 0 209.333 2.452 20 30 BEEDRO C#CC[N@@H+](CCSC(F)(F)F)C1CC1 ZINC000886136106 592160536 /nfs/dbraw/zinc/16/05/36/592160536.db2.gz GIADWUOANZHHBT-UHFFFAOYSA-N 1 0 223.263 2.337 20 30 BEEDRO C#C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCCO1 ZINC000886142720 592162258 /nfs/dbraw/zinc/16/22/58/592162258.db2.gz JHLZYSWCZRTYRS-CBBWQLFWSA-N 1 0 233.355 2.193 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)co1 ZINC000886149616 592163624 /nfs/dbraw/zinc/16/36/24/592163624.db2.gz SYQUZMLNRJPJSY-AAEUAGOBSA-N 1 0 221.300 2.269 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886173424 592169179 /nfs/dbraw/zinc/16/91/79/592169179.db2.gz OZTZUAZYHFGNTD-GTBONMDNSA-N 1 0 247.313 2.467 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000886172969 592169901 /nfs/dbraw/zinc/16/99/01/592169901.db2.gz BFYMHBFYZSOVKI-STQMWFEESA-N 1 0 221.344 2.288 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@@]12CCOC2 ZINC000886177037 592170307 /nfs/dbraw/zinc/17/03/07/592170307.db2.gz SPWSJQJHHSBZNF-MGPQQGTHSA-N 1 0 221.344 2.454 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000886209001 592176864 /nfs/dbraw/zinc/17/68/64/592176864.db2.gz CCIMKOIVUVLDBN-UKMLZYKCSA-N 1 0 246.398 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000886212670 592177293 /nfs/dbraw/zinc/17/72/93/592177293.db2.gz CKTHHQJXNNEXMQ-INIZCTEOSA-N 1 0 242.366 2.182 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886277051 592196119 /nfs/dbraw/zinc/19/61/19/592196119.db2.gz FNZFVIGYIZEQOE-JQWIXIFHSA-N 1 0 233.302 2.291 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886280328 592198309 /nfs/dbraw/zinc/19/83/09/592198309.db2.gz COEZVALRDKOWNI-CHWSQXEVSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH+](C2CC2)C2CC2)CCC1 ZINC000886297381 592202881 /nfs/dbraw/zinc/20/28/81/592202881.db2.gz PQUHTSHYPFAIIW-CYBMUJFWSA-N 1 0 234.343 2.058 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2nc(CC)no2)C1 ZINC000886355874 592215713 /nfs/dbraw/zinc/21/57/13/592215713.db2.gz OWJKCFVKMKKIAS-GHMZBOCLSA-N 1 0 233.315 2.038 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000886356229 592216072 /nfs/dbraw/zinc/21/60/72/592216072.db2.gz WKNAYAFAZIJGST-WFASDCNBSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000886356072 592216570 /nfs/dbraw/zinc/21/65/70/592216570.db2.gz STEWVLFZXRKLOB-UKRRQHHQSA-N 1 0 229.323 2.065 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000886358521 592217521 /nfs/dbraw/zinc/21/75/21/592217521.db2.gz WGBLALOWXJECDT-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000886358249 592217524 /nfs/dbraw/zinc/21/75/24/592217524.db2.gz RRLSVTZHAUCSMQ-QWHCGFSZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000886365130 592218492 /nfs/dbraw/zinc/21/84/92/592218492.db2.gz ALVAQBJHIBAWLW-LBPRGKRZSA-N 1 0 244.338 2.399 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000886365635 592219364 /nfs/dbraw/zinc/21/93/64/592219364.db2.gz MYVGOADLQWQGAT-GDBMZVCRSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](C)CC)CCOCC1 ZINC000886381735 592222518 /nfs/dbraw/zinc/22/25/18/592222518.db2.gz PNUWJIPNFMZRFU-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCc2cccnc21 ZINC000886522922 592243824 /nfs/dbraw/zinc/24/38/24/592243824.db2.gz TXTJIPKLLOBICR-GFCCVEGCSA-N 1 0 215.300 2.352 20 30 BEEDRO CC(C)[C@@H]([NH2+]CC1(CC#N)CC1)c1cnn(C)c1 ZINC000886604670 592272997 /nfs/dbraw/zinc/27/29/97/592272997.db2.gz AJYGNDPRQWKQHA-CYBMUJFWSA-N 1 0 246.358 2.401 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCc3cccnc32)CC1 ZINC000886605680 592274741 /nfs/dbraw/zinc/27/47/41/592274741.db2.gz WMCMZCXFFMGAAX-GFCCVEGCSA-N 1 0 227.311 2.352 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886618629 592277047 /nfs/dbraw/zinc/27/70/47/592277047.db2.gz GJCCEVXRITZMNZ-NSHDSACASA-N 1 0 248.326 2.485 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886618482 592278212 /nfs/dbraw/zinc/27/82/12/592278212.db2.gz BUZBZOHGMQOHBJ-SYQHCUMBSA-N 1 0 239.359 2.267 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C(C)C)C2CC2)C1 ZINC000886660613 592293869 /nfs/dbraw/zinc/29/38/69/592293869.db2.gz BCBZVQUEOODWET-LSDHHAIUSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CC2CCC2)C1 ZINC000886661544 592294696 /nfs/dbraw/zinc/29/46/96/592294696.db2.gz WVKAXPZAMKUPIV-UKRRQHHQSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)C2CCC2)C1 ZINC000886663277 592294091 /nfs/dbraw/zinc/29/40/91/592294091.db2.gz XIKVLQMDXCOUAT-LSDHHAIUSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](CC)C2CCC2)C1 ZINC000886663274 592294773 /nfs/dbraw/zinc/29/47/73/592294773.db2.gz XIKVLQMDXCOUAT-CABCVRRESA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000886662833 592295013 /nfs/dbraw/zinc/29/50/13/592295013.db2.gz MVIDRJGGLRMBED-UKRRQHHQSA-N 1 0 234.387 2.252 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886668305 592295887 /nfs/dbraw/zinc/29/58/87/592295887.db2.gz QIBJMZGURQEIBR-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886668308 592296035 /nfs/dbraw/zinc/29/60/35/592296035.db2.gz QIBJMZGURQEIBR-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686922 592304258 /nfs/dbraw/zinc/30/42/58/592304258.db2.gz ZXZGEMOHQZJHPU-KGLIPLIRSA-N 1 0 243.354 2.458 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC3(CCC3)CO2)C1 ZINC000886700937 592305425 /nfs/dbraw/zinc/30/54/25/592305425.db2.gz IMEPOGWEKCWWIH-JHJVBQTASA-N 1 0 234.343 2.227 20 30 BEEDRO CCC1([NH+]2CCC2)CCN(CCCC#N)CC1 ZINC000886708764 592308947 /nfs/dbraw/zinc/30/89/47/592308947.db2.gz BYPNYNWELYFDKY-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO C=CCCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886798676 592329630 /nfs/dbraw/zinc/32/96/30/592329630.db2.gz FVNHDVYYMUZXBL-JTQLQIEISA-N 1 0 237.265 2.199 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808872 592335789 /nfs/dbraw/zinc/33/57/89/592335789.db2.gz QVSLMJIFTDXCHZ-WDEREUQCSA-N 1 0 249.276 2.035 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821761 592344051 /nfs/dbraw/zinc/34/40/51/592344051.db2.gz HEOJHIOOFGINTB-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821759 592345945 /nfs/dbraw/zinc/34/59/45/592345945.db2.gz HEOJHIOOFGINTB-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886822707 592347051 /nfs/dbraw/zinc/34/70/51/592347051.db2.gz UFPVVHTTXSCGDT-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869603 592374891 /nfs/dbraw/zinc/37/48/91/592374891.db2.gz CYADAXQCSODNAF-CYBMUJFWSA-N 1 0 208.349 2.028 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCc2c1cccc2F ZINC000886927731 592398060 /nfs/dbraw/zinc/39/80/60/592398060.db2.gz UMGAYDFIIJKHKR-CQSZACIVSA-N 1 0 233.286 2.052 20 30 BEEDRO C[C@H](CCC#N)[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979740 592403250 /nfs/dbraw/zinc/40/32/50/592403250.db2.gz YFOCZILIDQDLLF-GFCCVEGCSA-N 1 0 236.359 2.354 20 30 BEEDRO C=CCC[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887105302 592445489 /nfs/dbraw/zinc/44/54/89/592445489.db2.gz PIJLVGOYRKETHX-UHFFFAOYSA-N 1 0 233.311 2.335 20 30 BEEDRO C#CCC1([NH2+]CC(=C)CC)CCOCC1 ZINC000887123425 592445975 /nfs/dbraw/zinc/44/59/75/592445975.db2.gz OMOCZUOXSINLON-UHFFFAOYSA-N 1 0 207.317 2.115 20 30 BEEDRO C#CCC1([NH2+]CC/C=C/C=C)CCOCC1 ZINC000887121100 592446324 /nfs/dbraw/zinc/44/63/24/592446324.db2.gz XBQPVQQXAMLUMN-AATRIKPKSA-N 1 0 219.328 2.281 20 30 BEEDRO C#CCC1([NH2+]CCC(F)(F)F)CCOCC1 ZINC000887122079 592446718 /nfs/dbraw/zinc/44/67/18/592446718.db2.gz KDPMCLKWVPBFAO-UHFFFAOYSA-N 1 0 235.249 2.101 20 30 BEEDRO CCSc1ccc(CNC(NC)=[NH+]C)cc1 ZINC000887322667 592480989 /nfs/dbraw/zinc/48/09/89/592480989.db2.gz SRCIWYAZWRVPFA-UHFFFAOYSA-N 1 0 237.372 2.093 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1C[C@@H](OC)C1(CC)CC ZINC000140808691 592486401 /nfs/dbraw/zinc/48/64/01/592486401.db2.gz RMKYXJIWQVXEOH-VXGBXAGGSA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CCC)C(C)C ZINC000301003704 592527187 /nfs/dbraw/zinc/52/71/87/592527187.db2.gz XOQLYTFMEZRDIE-CYBMUJFWSA-N 1 0 219.332 2.041 20 30 BEEDRO CCCC[C@@H](CC)CNC(=[NH2+])N[C@H](C)COC ZINC000104152031 592601864 /nfs/dbraw/zinc/60/18/64/592601864.db2.gz PWQMEIHYTVBUEH-VXGBXAGGSA-N 1 0 243.395 2.142 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCCc1ccccc1 ZINC000104153198 592601891 /nfs/dbraw/zinc/60/18/91/592601891.db2.gz VJDFMHKPCICNNL-UHFFFAOYSA-N 1 0 233.359 2.276 20 30 BEEDRO CC(C)NC(=[NH2+])NCCc1cccc(Cl)c1 ZINC000104156085 592602240 /nfs/dbraw/zinc/60/22/40/592602240.db2.gz JIZGRDRCUKHLRR-UHFFFAOYSA-N 1 0 239.750 2.195 20 30 BEEDRO CCCC[C@H](CC)CNC(=[NH2+])N[C@H](C)COC ZINC000104152033 592602246 /nfs/dbraw/zinc/60/22/46/592602246.db2.gz PWQMEIHYTVBUEH-NEPJUHHUSA-N 1 0 243.395 2.142 20 30 BEEDRO Cc1cc(C)c(CNC(=[NH2+])NC(C)C)c(C)c1 ZINC000104165344 592602693 /nfs/dbraw/zinc/60/26/93/592602693.db2.gz AFZVZWVAFKKZPU-UHFFFAOYSA-N 1 0 233.359 2.425 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000106208974 592703535 /nfs/dbraw/zinc/70/35/35/592703535.db2.gz UZBAZPKBELJQGJ-LBPRGKRZSA-N 1 0 228.380 2.446 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])CCSC ZINC000106234731 592703790 /nfs/dbraw/zinc/70/37/90/592703790.db2.gz SSNDYZYTRPDNKZ-NSHDSACASA-N 1 0 246.420 2.153 20 30 BEEDRO C=C(C)c1ccc(N2CC[NH2+]CC2)cc1 ZINC000197110347 634393311 /nfs/dbraw/zinc/39/33/11/634393311.db2.gz HQAHCIIHEZCSGD-UHFFFAOYSA-N 1 0 202.301 2.129 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H](C[NH2+]C(C)C)C1 ZINC001026990044 634411869 /nfs/dbraw/zinc/41/18/69/634411869.db2.gz MIRKZOAAXCRARY-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001027363220 634496221 /nfs/dbraw/zinc/49/62/21/634496221.db2.gz AHLZFDSOKCVNOB-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[N@@H+](CCC)CC1 ZINC000981747038 635392056 /nfs/dbraw/zinc/39/20/56/635392056.db2.gz VIWJOFVAVXMIQC-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CC1(C#N)CC[NH+](CCCCCCO)CC1 ZINC000227353142 635449662 /nfs/dbraw/zinc/44/96/62/635449662.db2.gz NCZVEZMHMSVVJT-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO Cc1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1C#N ZINC000925843070 635508762 /nfs/dbraw/zinc/50/87/62/635508762.db2.gz YXNCHJOQXXFKAG-WFASDCNBSA-N 1 0 243.354 2.097 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CNOC1 ZINC000925865566 635566471 /nfs/dbraw/zinc/56/64/71/635566471.db2.gz GITXMVXSFFWAAF-NEPJUHHUSA-N 1 0 212.337 2.004 20 30 BEEDRO CC[NH+](CC)CCCNc1cc(C)cc(C#N)n1 ZINC000891434918 631246964 /nfs/dbraw/zinc/24/69/64/631246964.db2.gz SXSMMBIVDUSZKS-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=C(Br)C[NH2+]CC1(COC)CCC1 ZINC000308343413 631297218 /nfs/dbraw/zinc/29/72/18/631297218.db2.gz SLDCRHCTEQHUGH-UHFFFAOYSA-N 1 0 248.164 2.301 20 30 BEEDRO N#CCCC[N@H+]1CC[C@H](C(F)(F)F)C1 ZINC000308369109 631305069 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C=CC(C)(C)C(=O)N1CCC[C@H](C[NH2+]CC)C1 ZINC001024093596 632671195 /nfs/dbraw/zinc/67/11/95/632671195.db2.gz XSMJUFPMOPOEGN-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)CCN1C ZINC000235361547 632677815 /nfs/dbraw/zinc/67/78/15/632677815.db2.gz QUVMETARRYZOPW-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C#C[C@H]([NH2+]CC/C=C/CC)[C@@H]1CCCO1 ZINC000309182499 632693060 /nfs/dbraw/zinc/69/30/60/632693060.db2.gz OAPQLFPTQIUTIN-AAAGKOELSA-N 1 0 207.317 2.113 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000310033707 632696660 /nfs/dbraw/zinc/69/66/60/632696660.db2.gz SCIUTCBKDLWIBK-ZYHUDNBSSA-N 1 0 216.284 2.174 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc[nH]c(=O)c1 ZINC000926616918 632704167 /nfs/dbraw/zinc/70/41/67/632704167.db2.gz VJTPLXGXRVXIHS-JFGNBEQYSA-N 1 0 231.299 2.130 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)C(C)(C)CO ZINC000926627488 632734458 /nfs/dbraw/zinc/73/44/58/632734458.db2.gz LUCJHIKPXCKNGD-LBPRGKRZSA-N 1 0 246.354 2.249 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cccc(-n2cnnc2)c1 ZINC000926682677 632816415 /nfs/dbraw/zinc/81/64/15/632816415.db2.gz DEIHSIJATSTYRC-GFCCVEGCSA-N 1 0 242.326 2.494 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000309237952 632833258 /nfs/dbraw/zinc/83/32/58/632833258.db2.gz VRYQKILNXYCEQO-RYUDHWBXSA-N 1 0 226.364 2.295 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000229674012 632984673 /nfs/dbraw/zinc/98/46/73/632984673.db2.gz SZCHIDSQXCOTMG-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000229687970 632987519 /nfs/dbraw/zinc/98/75/19/632987519.db2.gz PPZFOURKGGVWGB-AWEZNQCLSA-N 1 0 235.302 2.252 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000229821913 632992946 /nfs/dbraw/zinc/99/29/46/632992946.db2.gz MTYBNGXUFLTAPO-GFCCVEGCSA-N 1 0 217.312 2.326 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc2ccccc2n1 ZINC000229900557 632999292 /nfs/dbraw/zinc/99/92/92/632999292.db2.gz VRPPIXVYRYYIJW-NSHDSACASA-N 1 0 225.295 2.131 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000310854341 633010939 /nfs/dbraw/zinc/01/09/39/633010939.db2.gz DNWFGPIFPKKHEC-KGLIPLIRSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000310852757 633011140 /nfs/dbraw/zinc/01/11/40/633011140.db2.gz RSCMFDHORBCMAL-UKRRQHHQSA-N 1 0 244.338 2.405 20 30 BEEDRO CC(C)(C)CCNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000782902411 633030889 /nfs/dbraw/zinc/03/08/89/633030889.db2.gz AHFZGOKYAWMJAF-GFCCVEGCSA-N 1 0 223.364 2.236 20 30 BEEDRO C=CC[C@H]1CCCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000894522651 635906656 /nfs/dbraw/zinc/90/66/56/635906656.db2.gz MWIKMHBMNRZYBX-NSHDSACASA-N 1 0 232.331 2.160 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)cn1)C(C)(C)C ZINC000894517278 635904611 /nfs/dbraw/zinc/90/46/11/635904611.db2.gz GYGQKJVDRIAYLT-CYBMUJFWSA-N 1 0 232.327 2.228 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H]([C@H](C)NC(C)=O)C1 ZINC001025306357 633098133 /nfs/dbraw/zinc/09/81/33/633098133.db2.gz DTKHPUBUDFTKBR-JSGCOSHPSA-N 1 0 238.375 2.189 20 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CCn1cc(C[NH2+]CC(C)(C)CC#N)c(C)n1 ZINC000894855649 635954903 /nfs/dbraw/zinc/95/49/03/635954903.db2.gz VOXBGTXTGJACPK-UHFFFAOYSA-N 1 0 234.347 2.241 20 30 BEEDRO CN(Cc1csc(C#N)c1)C[C@H]1CCC[N@@H+]1C ZINC000894980113 636011591 /nfs/dbraw/zinc/01/15/91/636011591.db2.gz CSRPUHDWJZEGLN-GFCCVEGCSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C(C[NH2+]Cc1cncnc1)c1ccccc1 ZINC000340174126 635994941 /nfs/dbraw/zinc/99/49/41/635994941.db2.gz OHKFMJHRDLKDTN-UHFFFAOYSA-N 1 0 225.295 2.280 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000162003874 636033567 /nfs/dbraw/zinc/03/35/67/636033567.db2.gz GCAMELOTVUGWRY-LBPRGKRZSA-N 1 0 216.328 2.427 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn(C)c2C2CC2)CC1 ZINC000895116723 636063704 /nfs/dbraw/zinc/06/37/04/636063704.db2.gz WPLXLCKONZKJHD-UHFFFAOYSA-N 1 0 243.354 2.143 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885426 636058367 /nfs/dbraw/zinc/05/83/67/636058367.db2.gz OFTIQOCXGKCANY-LBPRGKRZSA-N 1 0 232.283 2.405 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000320225685 636141241 /nfs/dbraw/zinc/14/12/41/636141241.db2.gz HNIOBHBCJXATLQ-CQSZACIVSA-N 1 0 247.338 2.038 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000308490738 633732147 /nfs/dbraw/zinc/73/21/47/633732147.db2.gz BLYLQPSMIDKVLV-MRVPVSSYSA-N 1 0 206.314 2.132 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CCCCC ZINC000328205319 633743108 /nfs/dbraw/zinc/74/31/08/633743108.db2.gz UTFVHUCXXHYMBM-CQSZACIVSA-N 1 0 224.392 2.500 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000328258341 633747429 /nfs/dbraw/zinc/74/74/29/633747429.db2.gz KUWVQHYNBWIKBL-SOUVJXGZSA-N 1 0 236.403 2.356 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000308538322 633748581 /nfs/dbraw/zinc/74/85/81/633748581.db2.gz TYHNBNXGGDADCT-LLVKDONJSA-N 1 0 216.756 2.201 20 30 BEEDRO C#CCC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000309801864 633755116 /nfs/dbraw/zinc/75/51/16/633755116.db2.gz RIFXTGKTJDKPSN-TZMCWYRMSA-N 1 0 223.360 2.177 20 30 BEEDRO CC(C)CC[NH+]1CCC(NCC2(C#N)CC2)CC1 ZINC000926874354 633761995 /nfs/dbraw/zinc/76/19/95/633761995.db2.gz PSUNNKYQIOFQDN-UHFFFAOYSA-N 1 0 249.402 2.390 20 30 BEEDRO CCC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000308786866 633815719 /nfs/dbraw/zinc/81/57/19/633815719.db2.gz GQUSBFSJHGWDOS-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCSCC[NH2+]CC1CCC(OC)CC1 ZINC000892991298 633798791 /nfs/dbraw/zinc/79/87/91/633798791.db2.gz FZRYCBVLKRLDEM-UHFFFAOYSA-N 1 0 241.400 2.148 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccoc2C)C1 ZINC001019976646 633801235 /nfs/dbraw/zinc/80/12/35/633801235.db2.gz RBSAIWHTOHZKBU-HAQNSBGRSA-N 1 0 248.326 2.015 20 30 BEEDRO C#CCCC[NH2+]C[C@H]1C[C@]1(C)Br ZINC000893091028 633828090 /nfs/dbraw/zinc/82/80/90/633828090.db2.gz BMDKNKQKGIJCPO-ZJUUUORDSA-N 1 0 230.149 2.163 20 30 BEEDRO CC(C)(C)CNC(=[NH2+])N1CCCCCC1 ZINC000177744861 633831628 /nfs/dbraw/zinc/83/16/28/633831628.db2.gz KWIWAURIQGUFEZ-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO C#CCCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000179428435 633854900 /nfs/dbraw/zinc/85/49/00/633854900.db2.gz LDTHAOSRJWOQGI-UHFFFAOYSA-N 1 0 233.359 2.221 20 30 BEEDRO C#CCCCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925525362 633903273 /nfs/dbraw/zinc/90/32/73/633903273.db2.gz AKXZQUIWGIMSPK-HSBZDZAISA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCO1 ZINC000309541922 633949074 /nfs/dbraw/zinc/94/90/74/633949074.db2.gz GRCNGUYNKGUBMX-KBPBESRZSA-N 1 0 221.344 2.337 20 30 BEEDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309937046 633965200 /nfs/dbraw/zinc/96/52/00/633965200.db2.gz AHFXSAZKHCJUED-DGCLKSJQSA-N 1 0 215.300 2.231 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)CC=C)[C@H]1CCCO1 ZINC000309791467 634008790 /nfs/dbraw/zinc/00/87/90/634008790.db2.gz UNLUSMVBOBMNKL-RFQIPJPRSA-N 1 0 221.344 2.358 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000895490433 636150996 /nfs/dbraw/zinc/15/09/96/636150996.db2.gz OPKYKIPXLSFPHY-DGAVXFQQSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnn(C)n1 ZINC000310026842 634086738 /nfs/dbraw/zinc/08/67/38/634086738.db2.gz PTMADFBXGXXTDJ-NSHDSACASA-N 1 0 222.336 2.040 20 30 BEEDRO C#C[C@H](C)NC(=[NH2+])NCCCCCCCC ZINC000187047740 634092676 /nfs/dbraw/zinc/09/26/76/634092676.db2.gz FDEAQMZXNQBONF-LBPRGKRZSA-N 1 0 223.364 2.273 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC000930886050 634151520 /nfs/dbraw/zinc/15/15/20/634151520.db2.gz QIJLVOBKUFQJGJ-ZBFHGGJFSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000162569141 634200527 /nfs/dbraw/zinc/20/05/27/634200527.db2.gz NAMXCDMQUHYLIK-GHMZBOCLSA-N 1 0 205.276 2.368 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCC2(COC2)O1 ZINC000931061988 634207219 /nfs/dbraw/zinc/20/72/19/634207219.db2.gz GDGLUWMFDKPYDE-MJBXVCDLSA-N 1 0 249.354 2.117 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000925692700 634324558 /nfs/dbraw/zinc/32/45/58/634324558.db2.gz ADPKNNBZTIQRCZ-IHRRRGAJSA-N 1 0 243.391 2.090 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000925692702 634325642 /nfs/dbraw/zinc/32/56/42/634325642.db2.gz ADPKNNBZTIQRCZ-MJBXVCDLSA-N 1 0 243.391 2.090 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000424335066 635189167 /nfs/dbraw/zinc/18/91/67/635189167.db2.gz WLLCNWPUIJTTSK-SCVCMEIPSA-N 1 0 230.315 2.069 20 30 BEEDRO C=CCC[N@@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000980880877 635295539 /nfs/dbraw/zinc/29/55/39/635295539.db2.gz DVCFVWJWJVDCJX-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000980922359 635301370 /nfs/dbraw/zinc/30/13/70/635301370.db2.gz RWTKDYBQBNHRCE-OLZOCXBDSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000981475809 635364144 /nfs/dbraw/zinc/36/41/44/635364144.db2.gz NRBTWLARWWWJKE-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000895438423 636143831 /nfs/dbraw/zinc/14/38/31/636143831.db2.gz BYYZNTQFHHTMMA-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C#N)C1 ZINC000896506706 636198772 /nfs/dbraw/zinc/19/87/72/636198772.db2.gz VOUFWBNHWRSBGI-GFCCVEGCSA-N 1 0 230.311 2.436 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)C1CCCC1 ZINC000320597487 636280359 /nfs/dbraw/zinc/28/03/59/636280359.db2.gz BWGIPMRMHCYZEJ-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)/C(C)=C/C)CC1 ZINC000985364907 636284542 /nfs/dbraw/zinc/28/45/42/636284542.db2.gz VHRZHEPAGCYLDJ-WUXMJOGZSA-N 1 0 236.359 2.061 20 30 BEEDRO [NH2+]=C(NCC1CCCCCCC1)NC1CC1 ZINC000303392375 636307165 /nfs/dbraw/zinc/30/71/65/636307165.db2.gz ZEBZVKSVENQKPK-UHFFFAOYSA-N 1 0 223.364 2.414 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C=C(C)C)[C@@H]1C ZINC000985931859 636453646 /nfs/dbraw/zinc/45/36/46/636453646.db2.gz UIUVNPWJFQDINN-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)N[C@@H]1CCCn2ncnc21 ZINC000925237611 636481518 /nfs/dbraw/zinc/48/15/18/636481518.db2.gz 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C=CCC[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC ZINC000930252708 639662958 /nfs/dbraw/zinc/66/29/58/639662958.db2.gz CEPXAUNJOLZPBX-QWRGUYRKSA-N 1 0 213.321 2.082 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C(=O)OC)[C@@H](C)CC ZINC000930252709 639663847 /nfs/dbraw/zinc/66/38/47/639663847.db2.gz CEPXAUNJOLZPBX-WDEREUQCSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C/C(C)=C\C(=O)OC ZINC000930265362 639670908 /nfs/dbraw/zinc/67/09/08/639670908.db2.gz VNCUPGPPHIRIAF-MMRAYRKESA-N 1 0 223.316 2.146 20 30 BEEDRO CCN1CC[N@H+](CC2CCC(C#N)CC2)[C@@H](C)C1 ZINC000930451142 639754668 /nfs/dbraw/zinc/75/46/68/639754668.db2.gz DRQQROCQEUZXNY-NFOMZHRRSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@@H]1C[C@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)CC#N ZINC000930492574 639782796 /nfs/dbraw/zinc/78/27/96/639782796.db2.gz IUSMZLPVBQOPNG-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911768436 639793221 /nfs/dbraw/zinc/79/32/21/639793221.db2.gz QMWBOWFJSZCFAH-JSGCOSHPSA-N 1 0 246.354 2.405 20 30 BEEDRO COc1ccc(C[C@H](C)[NH2+]CCC#N)cc1 ZINC000035648194 639794123 /nfs/dbraw/zinc/79/41/23/639794123.db2.gz TWUKVHNZUCDRDT-NSHDSACASA-N 1 0 218.300 2.129 20 30 BEEDRO CC1(C)[C@@H](O)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930529036 639801239 /nfs/dbraw/zinc/80/12/39/639801239.db2.gz AQIBYRNJCXCUJJ-BPCQOVAHSA-N 1 0 236.359 2.162 20 30 BEEDRO Cc1cccc(C[N@H+](C)C[C@H](O)CC#N)c1C ZINC000930539458 639806481 /nfs/dbraw/zinc/80/64/81/639806481.db2.gz YQBFITIXWLAINC-CQSZACIVSA-N 1 0 232.327 2.010 20 30 BEEDRO N#CC1(CCCC[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CCC1 ZINC000930542828 639808216 /nfs/dbraw/zinc/80/82/16/639808216.db2.gz FZOIFMAGDCIBJT-WDNDVIMCSA-N 1 0 248.370 2.021 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(Cl)nn1 ZINC000930600241 639816664 /nfs/dbraw/zinc/81/66/64/639816664.db2.gz GWJCSSGOQLUTEI-NSHDSACASA-N 1 0 223.707 2.022 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000930599522 639816833 /nfs/dbraw/zinc/81/68/33/639816833.db2.gz ABOTYPPFPBOFII-ZJUUUORDSA-N 1 0 237.265 2.081 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000911825944 639837746 /nfs/dbraw/zinc/83/77/46/639837746.db2.gz PECROZXKPFHIAD-JHJVBQTASA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911833027 639844227 /nfs/dbraw/zinc/84/42/27/639844227.db2.gz XZEXQAAZPASTJC-GXTWGEPZSA-N 1 0 240.391 2.468 20 30 BEEDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930652749 639847427 /nfs/dbraw/zinc/84/74/27/639847427.db2.gz NIVJXJHECVNFIP-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC ZINC000911899112 639861369 /nfs/dbraw/zinc/86/13/69/639861369.db2.gz GXJYNORKBRAYMX-CHWSQXEVSA-N 1 0 238.375 2.461 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C[NH3+])CCCC ZINC000911882792 639866351 /nfs/dbraw/zinc/86/63/51/639866351.db2.gz WVPMTVXHAPRPKT-NEPJUHHUSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C[NH3+])CCCC ZINC000911882795 639866370 /nfs/dbraw/zinc/86/63/70/639866370.db2.gz WVPMTVXHAPRPKT-VXGBXAGGSA-N 1 0 226.364 2.222 20 30 BEEDRO COC1([C@@H](C)[NH2+]Cc2cncc(C#N)c2)CCC1 ZINC000930721128 639877386 /nfs/dbraw/zinc/87/73/86/639877386.db2.gz CYKWAEISPXCODL-LLVKDONJSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CCC[C@H]1C ZINC000911917919 639877556 /nfs/dbraw/zinc/87/75/56/639877556.db2.gz XNOLLJIDFFYVDK-UPJWGTAASA-N 1 0 238.375 2.460 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000911927742 639884784 /nfs/dbraw/zinc/88/47/84/639884784.db2.gz QYBHKEDZVMWFDJ-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(OC)cc1 ZINC000911904625 639886675 /nfs/dbraw/zinc/88/66/75/639886675.db2.gz OUAVOICZGKPUMV-ZDUSSCGKSA-N 1 0 248.326 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(OC)c1 ZINC000911904196 639886769 /nfs/dbraw/zinc/88/67/69/639886769.db2.gz PSYNSESSQWTMIL-ZDUSSCGKSA-N 1 0 248.326 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCc1cccs1 ZINC000911980104 639902926 /nfs/dbraw/zinc/90/29/26/639902926.db2.gz MHAABWZYZAUFDB-NSHDSACASA-N 1 0 238.356 2.048 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1C ZINC000911959181 639905617 /nfs/dbraw/zinc/90/56/17/639905617.db2.gz CWAMYKLVJHESOW-NEPJUHHUSA-N 1 0 224.348 2.071 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C/C=C(\C)COC)C1 ZINC000930817289 639917734 /nfs/dbraw/zinc/91/77/34/639917734.db2.gz VFXHNGRYMCWTFJ-MAUPQMMJSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C/C=C(/C)COC)C1 ZINC000930817290 639917949 /nfs/dbraw/zinc/91/79/49/639917949.db2.gz VFXHNGRYMCWTFJ-MQJVFOOVSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)c2cccc(C)c2)CC1 ZINC000930821499 639920887 /nfs/dbraw/zinc/92/08/87/639920887.db2.gz GBCSAADHNRSUES-INIZCTEOSA-N 1 0 243.350 2.374 20 30 BEEDRO C=CCCCC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930910058 639981935 /nfs/dbraw/zinc/98/19/35/639981935.db2.gz CVWPDTREROGKAG-JHJVBQTASA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCN(Cc1cnc(C)o1)[C@@H](C)COC ZINC000930931316 639992961 /nfs/dbraw/zinc/99/29/61/639992961.db2.gz URSJLMBANPRKAO-JTQLQIEISA-N 1 0 224.304 2.006 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCc2nnc(C)o2)C1 ZINC000930963415 640001201 /nfs/dbraw/zinc/00/12/01/640001201.db2.gz USTXMFJCKGMKND-LBPRGKRZSA-N 1 0 235.331 2.209 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCOCCOCC)C1 ZINC000930962393 640001340 /nfs/dbraw/zinc/00/13/40/640001340.db2.gz MEAOGUCFIAZKST-CQSZACIVSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000930963172 640002206 /nfs/dbraw/zinc/00/22/06/640002206.db2.gz SXOOVXGRZAETFS-UONOGXRCSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCOCCOCC)C1 ZINC000930962392 640002270 /nfs/dbraw/zinc/00/22/70/640002270.db2.gz MEAOGUCFIAZKST-AWEZNQCLSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCC[NH+]1CCC(O)(Cc2ccccn2)CC1 ZINC000930981681 640011695 /nfs/dbraw/zinc/01/16/95/640011695.db2.gz BMJWHZFTXGCADK-UHFFFAOYSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CC[N@H+](Cc1ccc(N)nc1)C(C)(C)C ZINC000931017800 640022121 /nfs/dbraw/zinc/02/21/21/640022121.db2.gz 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ONAHEAYGPTUIGA-GFCCVEGCSA-N 1 0 247.313 2.347 20 30 BEEDRO C=CCNC(NC(C)(C)C)=[NH+]CCCC ZINC000912496939 640091405 /nfs/dbraw/zinc/09/14/05/640091405.db2.gz IGHIDJZXTGWGFU-UHFFFAOYSA-N 1 0 211.353 2.306 20 30 BEEDRO C=C(C)CNC(NC(C)(C)C)=[NH+]CCC ZINC000912498604 640094401 /nfs/dbraw/zinc/09/44/01/640094401.db2.gz BVGIYITVCGUMLQ-UHFFFAOYSA-N 1 0 211.353 2.306 20 30 BEEDRO CC[NH+]=C(NC[C@@H](OC)C(C)C)NC(C)(C)C ZINC000912498773 640094999 /nfs/dbraw/zinc/09/49/99/640094999.db2.gz GXOVRMSBZBPSCY-LLVKDONJSA-N 1 0 243.395 2.011 20 30 BEEDRO COC[C@@H](C)CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509764 640101358 /nfs/dbraw/zinc/10/13/58/640101358.db2.gz PZMGNEHAEINTEU-NSHDSACASA-N 1 0 243.395 2.011 20 30 BEEDRO CCC[NH+]=C(NCC(C)C)NC(C)(C)C ZINC000912509919 640101535 /nfs/dbraw/zinc/10/15/35/640101535.db2.gz UNIIORWZANNCIR-UHFFFAOYSA-N 1 0 213.369 2.386 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931254799 640116041 /nfs/dbraw/zinc/11/60/41/640116041.db2.gz GEQBGGRPDKTQFN-JXQTWKCFSA-N 1 0 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ZINC000935798859 641486927 /nfs/dbraw/zinc/48/69/27/641486927.db2.gz IXLBZHVXYRXBFF-STQMWFEESA-N 1 0 238.375 2.330 20 30 BEEDRO C[N@@H+](Cc1cc2ccccc2o1)C[C@H](O)CC#N ZINC000929767085 641513430 /nfs/dbraw/zinc/51/34/30/641513430.db2.gz AYDUQOBVGVKMSV-GFCCVEGCSA-N 1 0 244.294 2.139 20 30 BEEDRO CCc1ccc(CCNC(=[NH2+])N(CC)CC)cc1 ZINC000267403656 641569425 /nfs/dbraw/zinc/56/94/25/641569425.db2.gz GKNHZZPTCJUTFB-UHFFFAOYSA-N 1 0 247.386 2.448 20 30 BEEDRO COC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000159054210 641664242 /nfs/dbraw/zinc/66/42/42/641664242.db2.gz DNKOPMFTGZUMRT-UHFFFAOYSA-N 1 0 217.312 2.053 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC000929821473 641691564 /nfs/dbraw/zinc/69/15/64/641691564.db2.gz AHKHEEHKTGDLTM-NRXISQOPSA-N 1 0 248.370 2.429 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)C)[C@@H]1C ZINC000993053526 641718789 /nfs/dbraw/zinc/71/87/89/641718789.db2.gz PFURZOMPUUHFCN-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCNC(=[NH2+])NCC(C)(C)C(C)C ZINC000187849600 641729497 /nfs/dbraw/zinc/72/94/97/641729497.db2.gz GGLPDIQZCBYRTD-UHFFFAOYSA-N 1 0 213.369 2.373 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000189114054 641786313 /nfs/dbraw/zinc/78/63/13/641786313.db2.gz ULPZNGJGGQHLII-UWVGGRQHSA-N 1 0 235.335 2.013 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C=C2CCC2)[C@@H]1C ZINC000993184497 641803821 /nfs/dbraw/zinc/80/38/21/641803821.db2.gz KGSBOBPLYPFYOT-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO CCC(C)(C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000190534725 641871728 /nfs/dbraw/zinc/87/17/28/641871728.db2.gz QDOIRESQCNSKDI-NSHDSACASA-N 1 0 225.380 2.469 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C)OCCCO1)C1CC1 ZINC000190664452 641879717 /nfs/dbraw/zinc/87/97/17/641879717.db2.gz HXFZUPUTLRVQPK-ZDUSSCGKSA-N 1 0 239.359 2.474 20 30 BEEDRO CON=C1CC[NH+](CCc2ccccc2)CC1 ZINC000915958088 641888239 /nfs/dbraw/zinc/88/82/39/641888239.db2.gz LUIQHULVBBJCHU-UHFFFAOYSA-N 1 0 232.327 2.327 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)c1ccc(C)o1 ZINC000915974974 641890915 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GHYHYHVZGRWKQJ-UHFFFAOYSA-N 1 0 233.340 2.141 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC000971298836 642347261 /nfs/dbraw/zinc/34/72/61/642347261.db2.gz XCGLDVVHZFVPGS-MVXISAMASA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccoc2C)C1 ZINC001021814148 642360796 /nfs/dbraw/zinc/36/07/96/642360796.db2.gz RBSAIWHTOHZKBU-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000847020308 642389642 /nfs/dbraw/zinc/38/96/42/642389642.db2.gz XZCJXGGFWPJOTD-JHJVBQTASA-N 1 0 202.301 2.024 20 30 BEEDRO C#CCC1([NH2+]CC[C@H](C)O)CCCCC1 ZINC000933265286 642433586 /nfs/dbraw/zinc/43/35/86/642433586.db2.gz DNNPELNXTURGIX-LBPRGKRZSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CCC1([NH2+]Cc2nnc(C)o2)CCCCC1 ZINC000933265001 642434163 /nfs/dbraw/zinc/43/41/63/642434163.db2.gz OFZOFUYHMZTJAF-UHFFFAOYSA-N 1 0 233.315 2.194 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(C)nnc2C)CCC1 ZINC000933293081 642488146 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C#CCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000276884888 643020721 /nfs/dbraw/zinc/02/07/21/643020721.db2.gz JHIKGDTWORVUKB-KGLIPLIRSA-N 1 0 215.296 2.130 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC001019243756 643025547 /nfs/dbraw/zinc/02/55/47/643025547.db2.gz FUDRYSUFKIZOHR-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC001019331098 643027455 /nfs/dbraw/zinc/02/74/55/643027455.db2.gz JJCAYZNNKQADSQ-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000163121547 643073404 /nfs/dbraw/zinc/07/34/04/643073404.db2.gz TYDTWVQOTATCKU-GHMZBOCLSA-N 1 0 217.740 2.364 20 30 BEEDRO CC(N=NC(N)=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC000252447530 643076447 /nfs/dbraw/zinc/07/64/47/643076447.db2.gz LSACSEULTVTEQB-UHFFFAOYSA-N 1 0 234.347 2.062 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183509988 643139965 /nfs/dbraw/zinc/13/99/65/643139965.db2.gz HMXOBKVTJULMTC-UHFFFAOYSA-N 1 0 232.283 2.406 20 30 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BEEDRO C=CC[NH2+]C1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000996984846 643568990 /nfs/dbraw/zinc/56/89/90/643568990.db2.gz OEWGPSZIKYDGQT-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO N#Cc1cc(C[NH2+]CCN2CCCCC2)cs1 ZINC000921522227 643581652 /nfs/dbraw/zinc/58/16/52/643581652.db2.gz OQBGKSIXAAJMNU-UHFFFAOYSA-N 1 0 249.383 2.195 20 30 BEEDRO CC(=[NH+]N[C@@H]1CCSC1)c1ccc(N)cc1C ZINC000807998838 643585204 /nfs/dbraw/zinc/58/52/04/643585204.db2.gz BRYGFPYAUAZXJI-GFCCVEGCSA-N 1 0 249.383 2.396 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC(C1CC1)C1CC1 ZINC000083895299 643630515 /nfs/dbraw/zinc/63/05/15/643630515.db2.gz MYPNXKLDELDMLB-UHFFFAOYSA-N 1 0 223.364 2.125 20 30 BEEDRO CCCCCCCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000197457264 643676289 /nfs/dbraw/zinc/67/62/89/643676289.db2.gz PFOXPONCVAPLKE-STQMWFEESA-N 1 0 210.365 2.393 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000971041386 643684933 /nfs/dbraw/zinc/68/49/33/643684933.db2.gz LVNWSNCYLONSIQ-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000971060958 643691531 /nfs/dbraw/zinc/69/15/31/643691531.db2.gz MXPQVOWVFSACPC-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921649535 643699921 /nfs/dbraw/zinc/69/99/21/643699921.db2.gz TWKNBQDGHPZHDE-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000998417784 643704920 /nfs/dbraw/zinc/70/49/20/643704920.db2.gz ADBMOFWJOQHYNU-AWEZNQCLSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000998493496 643711395 /nfs/dbraw/zinc/71/13/95/643711395.db2.gz DXJKHHPQBYWPDQ-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC000998905725 643727406 /nfs/dbraw/zinc/72/74/06/643727406.db2.gz ZLRMZCGMDKYYCD-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@@]2(C)C=CCC2)C1 ZINC000999248155 643733579 /nfs/dbraw/zinc/73/35/79/643733579.db2.gz PJJDTRHSZMKUAD-PIMMBPRGSA-N 1 0 248.370 2.108 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](C)N(C)C ZINC000921686827 643740190 /nfs/dbraw/zinc/74/01/90/643740190.db2.gz PIMJZGRUIGBZHS-CYBMUJFWSA-N 1 0 245.370 2.215 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000999915524 643742974 /nfs/dbraw/zinc/74/29/74/643742974.db2.gz RKNAXSWJERTEBU-HIFRSBDPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000999915523 643743414 /nfs/dbraw/zinc/74/34/14/643743414.db2.gz RKNAXSWJERTEBU-DZGCQCFKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000999915526 643744383 /nfs/dbraw/zinc/74/43/83/643744383.db2.gz RKNAXSWJERTEBU-ZFWWWQNUSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001000042220 643748358 /nfs/dbraw/zinc/74/83/58/643748358.db2.gz CRXIOKWKPIBBFR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1nc(C)c(C)s1 ZINC000320651807 643767378 /nfs/dbraw/zinc/76/73/78/643767378.db2.gz PDNUOIKZBXNFIR-LLVKDONJSA-N 1 0 240.372 2.177 20 30 BEEDRO C#CCC[NH2+]Cc1ccc(OC)cc1C ZINC000921743753 643769248 /nfs/dbraw/zinc/76/92/48/643769248.db2.gz RGUPVWSHATZUPQ-UHFFFAOYSA-N 1 0 203.285 2.117 20 30 BEEDRO N#Cc1cc(C[NH2+]CCc2cscn2)cs1 ZINC000921754152 643772281 /nfs/dbraw/zinc/77/22/81/643772281.db2.gz JTVDMYLUSQAMCT-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO C=C(C)CC[N@H+]1CC=C(CNC(=O)C2CC2)CC1 ZINC001000357025 643777941 /nfs/dbraw/zinc/77/79/41/643777941.db2.gz OJODALQEFTTXLM-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1csc(C#N)c1 ZINC000921763900 643780127 /nfs/dbraw/zinc/78/01/27/643780127.db2.gz CKMDMIIODKQOLH-JTQLQIEISA-N 1 0 224.329 2.134 20 30 BEEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CCOC1 ZINC000921783093 643784742 /nfs/dbraw/zinc/78/47/42/643784742.db2.gz MWBIRFYZBZZFHF-MWLCHTKSSA-N 1 0 236.340 2.134 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CCSC2)cs1 ZINC000921792927 643788553 /nfs/dbraw/zinc/78/85/53/643788553.db2.gz FAUHRDLEBQXKMJ-VIFPVBQESA-N 1 0 224.354 2.215 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921939073 643830240 /nfs/dbraw/zinc/83/02/40/643830240.db2.gz UAHFXFAJCGMYPL-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO N#Cc1cc(C[NH2+]CCCCCCO)cs1 ZINC000921967791 643834938 /nfs/dbraw/zinc/83/49/38/643834938.db2.gz JQGBPSMTIWHXPJ-UHFFFAOYSA-N 1 0 238.356 2.262 20 30 BEEDRO N#CCCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921983906 643837053 /nfs/dbraw/zinc/83/70/53/643837053.db2.gz DSQLLOSBZNYXEX-UHFFFAOYSA-N 1 0 232.331 2.077 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnn(CCF)c1 ZINC000922007003 643842584 /nfs/dbraw/zinc/84/25/84/643842584.db2.gz PNMVIUPJROHIPN-UHFFFAOYSA-N 1 0 225.311 2.299 20 30 BEEDRO CC[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)O ZINC000922147242 643871477 /nfs/dbraw/zinc/87/14/77/643871477.db2.gz PCEJEUCJZBNKSH-LLVKDONJSA-N 1 0 238.356 2.259 20 30 BEEDRO CC[C@H]([NH2+]Cc1csc(C#N)c1)C(C)(C)O ZINC000922147243 643872209 /nfs/dbraw/zinc/87/22/09/643872209.db2.gz PCEJEUCJZBNKSH-NSHDSACASA-N 1 0 238.356 2.259 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]Cc1csc(C#N)c1 ZINC000922156430 643876064 /nfs/dbraw/zinc/87/60/64/643876064.db2.gz LFOGOVLIBZKWDF-JTQLQIEISA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]Cc1csc(C#N)c1 ZINC000922156487 643877311 /nfs/dbraw/zinc/87/73/11/643877311.db2.gz OEAWKXXLTIQZKI-SECBINFHSA-N 1 0 238.356 2.259 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(OC)cc1C ZINC000922166292 643886306 /nfs/dbraw/zinc/88/63/06/643886306.db2.gz CODHBNLOHTWKMO-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922166122 643887064 /nfs/dbraw/zinc/88/70/64/643887064.db2.gz AXIYOSAOYXKTOJ-CYBMUJFWSA-N 1 0 249.358 2.025 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC000922197405 643899249 /nfs/dbraw/zinc/89/92/49/643899249.db2.gz IFWBDHURXGWABS-ARILJUKYSA-N 1 0 248.370 2.473 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2C=CCC2)cs1 ZINC000922241156 643916365 /nfs/dbraw/zinc/91/63/65/643916365.db2.gz NMHATINUIGDJDI-SNVBAGLBSA-N 1 0 204.298 2.428 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cs1 ZINC000922248025 643921605 /nfs/dbraw/zinc/92/16/05/643921605.db2.gz GXWRPCPCBHHFAB-VXGBXAGGSA-N 1 0 248.351 2.013 20 30 BEEDRO CCC[N@@H+]1CC[C@H](NCc2csc(C#N)c2)C1 ZINC000922259521 643929132 /nfs/dbraw/zinc/92/91/32/643929132.db2.gz GRHANQMRJPHFGF-LBPRGKRZSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2OCCCO2)C1 ZINC000922280247 643948059 /nfs/dbraw/zinc/94/80/59/643948059.db2.gz ZHTSXBPFGUNKRM-RYUDHWBXSA-N 1 0 225.332 2.084 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(OC)cc1C ZINC000922300512 643961206 /nfs/dbraw/zinc/96/12/06/643961206.db2.gz ZUDKPTGNNNHSRG-CQSZACIVSA-N 1 0 247.338 2.132 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC000922299193 643961450 /nfs/dbraw/zinc/96/14/50/643961450.db2.gz NIOCVQZXZQZRLM-XQQFMLRXSA-N 1 0 241.400 2.289 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CCC(C)(C)O ZINC000086234182 643963815 /nfs/dbraw/zinc/96/38/15/643963815.db2.gz DVVNQKDFJIIDGA-UHFFFAOYSA-N 1 0 212.337 2.019 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(CC)cn1 ZINC000922478140 643999844 /nfs/dbraw/zinc/99/98/44/643999844.db2.gz KVLMMFHVSNTIRJ-UHFFFAOYSA-N 1 0 247.342 2.090 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000922511113 644010046 /nfs/dbraw/zinc/01/00/46/644010046.db2.gz RXVOERRNMZWKQF-CZULRBLNSA-N 1 0 233.340 2.149 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)o1 ZINC000922731507 644080425 /nfs/dbraw/zinc/08/04/25/644080425.db2.gz PKGFCBLRIAGYHJ-OIBJUYFYSA-N 1 0 244.216 2.439 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CCCCO1 ZINC000922820454 644110798 /nfs/dbraw/zinc/11/07/98/644110798.db2.gz PNFOZTRYAFOZFK-CYBMUJFWSA-N 1 0 234.299 2.200 20 30 BEEDRO CCCCCCCCC[NH2+]C1(C(N)=O)CC1 ZINC000192167958 644133104 /nfs/dbraw/zinc/13/31/04/644133104.db2.gz QIKWNHFHQZNAFV-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO C#CCSCCNc1cc[nH+]cc1C ZINC000192616325 644170227 /nfs/dbraw/zinc/17/02/27/644170227.db2.gz YTZFCKQYZJJHER-UHFFFAOYSA-N 1 0 206.314 2.168 20 30 BEEDRO C=C(C)C[NH+]1CCC(N(C)C(=O)C(C)C)CC1 ZINC001005116684 644172194 /nfs/dbraw/zinc/17/21/94/644172194.db2.gz FSJPVEIQABOWDC-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)C=C2CCC2)CC1 ZINC001005236188 644175366 /nfs/dbraw/zinc/17/53/66/644175366.db2.gz QAQHUNIWRXJVRY-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)C2CC=CC2)CC1 ZINC001005198204 644175609 /nfs/dbraw/zinc/17/56/09/644175609.db2.gz LWTPWHZOMOOAKE-UHFFFAOYSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOCCOCC)C1 ZINC000922944736 644197713 /nfs/dbraw/zinc/19/77/13/644197713.db2.gz NMRCBBQKVZQVEX-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOCCOCC)C1 ZINC000922944734 644197988 /nfs/dbraw/zinc/19/79/88/644197988.db2.gz NMRCBBQKVZQVEX-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C#C[C@@H](C)NC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000187048476 644201014 /nfs/dbraw/zinc/20/10/14/644201014.db2.gz FCSADMAPUZNWNK-VXGBXAGGSA-N 1 0 223.364 2.127 20 30 BEEDRO C#CCC1([NH2+]Cc2cc[nH]n2)CCCCC1 ZINC000922983955 644211713 /nfs/dbraw/zinc/21/17/13/644211713.db2.gz PCJMOGBKFCAPTA-UHFFFAOYSA-N 1 0 217.316 2.226 20 30 BEEDRO C#CCC1([NH2+]Cc2cocn2)CCCCC1 ZINC000922980751 644214611 /nfs/dbraw/zinc/21/46/11/644214611.db2.gz AWSVLGYRAGZRAD-UHFFFAOYSA-N 1 0 218.300 2.490 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc3ccccn23)CCC1 ZINC000923001225 644218004 /nfs/dbraw/zinc/21/80/04/644218004.db2.gz RKDKHRSZWALJEW-UHFFFAOYSA-N 1 0 239.322 2.370 20 30 BEEDRO C#CCC1([NH2+]Cc2ccncc2F)CCC1 ZINC000923000234 644218587 /nfs/dbraw/zinc/21/85/87/644218587.db2.gz ZNIZRWURFAJJPY-UHFFFAOYSA-N 1 0 218.275 2.256 20 30 BEEDRO C#CCC1([NH2+]Cc2cncn2C(C)C)CCC1 ZINC000922998020 644221373 /nfs/dbraw/zinc/22/13/73/644221373.db2.gz GBTMRYQYLWYKKC-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C#CCC1([NH2+]Cc2cc3n(n2)CCCC3)CCC1 ZINC000922997690 644222404 /nfs/dbraw/zinc/22/24/04/644222404.db2.gz BDIQMWWODLYEKG-UHFFFAOYSA-N 1 0 243.354 2.255 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnn2CCC)CCC1 ZINC000922998417 644223866 /nfs/dbraw/zinc/22/38/66/644223866.db2.gz JJDQARFYZKBLRU-UHFFFAOYSA-N 1 0 231.343 2.329 20 30 BEEDRO C#CCC1([NH2+]Cc2cnn(C(C)C)c2)CCC1 ZINC000922998860 644224573 /nfs/dbraw/zinc/22/45/73/644224573.db2.gz ZXRALGPLBUNIFS-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(C(C)(C)C)nn2)CCC1 ZINC000922998488 644224611 /nfs/dbraw/zinc/22/46/11/644224611.db2.gz UZSUEHAKWSXZMX-UHFFFAOYSA-N 1 0 246.358 2.069 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(O)c2)CCC1 ZINC000923001845 644226024 /nfs/dbraw/zinc/22/60/24/644226024.db2.gz WIFXHWKPOMWKOW-UHFFFAOYSA-N 1 0 215.296 2.428 20 30 BEEDRO C=CCCCN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923540370 644493053 /nfs/dbraw/zinc/49/30/53/644493053.db2.gz USZWXCPFJIYGJD-ZDUSSCGKSA-N 1 0 208.349 2.171 20 30 BEEDRO C#CCC[C@H](C)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000839043303 644554059 /nfs/dbraw/zinc/55/40/59/644554059.db2.gz QCJNTTMLYHAAKC-QWHCGFSZSA-N 1 0 239.359 2.452 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1CC ZINC000740878407 644563209 /nfs/dbraw/zinc/56/32/09/644563209.db2.gz DNAIIRJRJKSSNF-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO CCCCCCC[N@H+](C)[C@H]1CCN(C)C1=O ZINC000740878524 644564524 /nfs/dbraw/zinc/56/45/24/644564524.db2.gz KLOBGVSKKMHHQL-LBPRGKRZSA-N 1 0 226.364 2.119 20 30 BEEDRO CC(N=NC(N)=[NH2+])[C@H](C)C1CCCCC1 ZINC000747624996 644584834 /nfs/dbraw/zinc/58/48/34/644584834.db2.gz XKYRQBUZWIZTPC-QMMMGPOBSA-N 1 0 210.325 2.062 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000775184074 644700755 /nfs/dbraw/zinc/70/07/55/644700755.db2.gz VCTKDLYEFWSDNK-NSHDSACASA-N 1 0 233.311 2.244 20 30 BEEDRO C=C(C)[C@@H]1CCC(C)=C(N=NC2=[NH+]C[C@@H](C)N2)C1 ZINC000779797763 644715916 /nfs/dbraw/zinc/71/59/16/644715916.db2.gz JAKJPZUOYWMGGZ-VXGBXAGGSA-N 1 0 246.358 2.212 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)nc1 ZINC000780559226 644732966 /nfs/dbraw/zinc/73/29/66/644732966.db2.gz YKAXEZGGGCHLFZ-GFCCVEGCSA-N 1 0 227.311 2.399 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000783518049 644755983 /nfs/dbraw/zinc/75/59/83/644755983.db2.gz NTJRYWNVFZQJPG-ZDUSSCGKSA-N 1 0 233.359 2.398 20 30 BEEDRO CNC(NCCCCCCC(C)C)=[NH+]C ZINC000303266712 644813313 /nfs/dbraw/zinc/81/33/13/644813313.db2.gz WHEDPVRWOPDGLG-UHFFFAOYSA-N 1 0 213.369 2.388 20 30 BEEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000796945733 644816282 /nfs/dbraw/zinc/81/62/82/644816282.db2.gz ATZOASUCGKGNKC-KGLIPLIRSA-N 1 0 229.327 2.477 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccccc1O ZINC000303573448 644831497 /nfs/dbraw/zinc/83/14/97/644831497.db2.gz MBVXEFCPVMBMHM-LLVKDONJSA-N 1 0 221.300 2.245 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800470102 644835171 /nfs/dbraw/zinc/83/51/71/644835171.db2.gz HXHCGTYAOVIMNR-LBPRGKRZSA-N 1 0 247.404 2.076 20 30 BEEDRO CCCCNC(=[NH2+])NCCc1ccc(F)cc1 ZINC000303705786 644838631 /nfs/dbraw/zinc/83/86/31/644838631.db2.gz LEHNTPAYXIRXLK-UHFFFAOYSA-N 1 0 237.322 2.073 20 30 BEEDRO [NH2+]=C(NCCc1ccc(F)cc1)NCC1CCC1 ZINC000303712839 644840049 /nfs/dbraw/zinc/84/00/49/644840049.db2.gz QFSUHHHDXJUSFI-UHFFFAOYSA-N 1 0 249.333 2.073 20 30 BEEDRO CC(C)CCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303722378 644841973 /nfs/dbraw/zinc/84/19/73/644841973.db2.gz YCDAJMGBNKQNLO-LLVKDONJSA-N 1 0 211.353 2.079 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCCCC1 ZINC000303770383 644844550 /nfs/dbraw/zinc/84/45/50/644844550.db2.gz BXNHSMOYUKTTQS-ZIAGYGMSSA-N 1 0 243.354 2.343 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1Cc2ccccc2[C@H]1C ZINC000801923739 644846021 /nfs/dbraw/zinc/84/60/21/644846021.db2.gz CJYHOINGSJUGTH-VXGBXAGGSA-N 1 0 230.311 2.492 20 30 BEEDRO CC[C@]1(C)CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801926310 644847193 /nfs/dbraw/zinc/84/71/93/644847193.db2.gz VSKHNRHWFSFERO-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C12CCC2 ZINC000414158910 644852102 /nfs/dbraw/zinc/85/21/02/644852102.db2.gz ASGAGYWFJUYYGE-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO [NH2+]=C(NCc1ccsc1)N1CCCCC1 ZINC000303896671 644856557 /nfs/dbraw/zinc/85/65/57/644856557.db2.gz QCQSERHOZCVZGN-UHFFFAOYSA-N 1 0 223.345 2.049 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303981765 644863409 /nfs/dbraw/zinc/86/34/09/644863409.db2.gz PNOHSONQNILZNA-WCQYABFASA-N 1 0 249.333 2.386 20 30 BEEDRO CC[N@@H+]1CCC(=NNCC2CCCC2)[C@@H](C)C1 ZINC000808005635 644868907 /nfs/dbraw/zinc/86/89/07/644868907.db2.gz HPVCJXQSBUCHSA-LBPRGKRZSA-N 1 0 237.391 2.484 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCCCC1 ZINC000304201557 644875722 /nfs/dbraw/zinc/87/57/22/644875722.db2.gz CDDBBJTZOFGNTE-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000304251397 644882519 /nfs/dbraw/zinc/88/25/19/644882519.db2.gz RAUOTBACIYDEEK-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)Cc1cccs1 ZINC000304290682 644888563 /nfs/dbraw/zinc/88/85/63/644888563.db2.gz YXGMGDXAXPWRCP-NSHDSACASA-N 1 0 238.356 2.499 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000809572443 644892434 /nfs/dbraw/zinc/89/24/34/644892434.db2.gz NETLKVJPOIOMQA-KGLIPLIRSA-N 1 0 248.301 2.237 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C2CC2)N(C)C)cc1 ZINC000809608413 644894099 /nfs/dbraw/zinc/89/40/99/644894099.db2.gz RCQWZOLRNGQNPN-INIZCTEOSA-N 1 0 242.366 2.098 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000809683619 644895713 /nfs/dbraw/zinc/89/57/13/644895713.db2.gz GGNIAAPQSBBLMK-MNOVXSKESA-N 1 0 224.307 2.246 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000809683627 644895742 /nfs/dbraw/zinc/89/57/42/644895742.db2.gz GNCOKKMOLBEGEL-MNOVXSKESA-N 1 0 245.322 2.130 20 30 BEEDRO CCCCCCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000304544639 644915516 /nfs/dbraw/zinc/91/55/16/644915516.db2.gz JGOQUQQGBFIXSL-ZDUSSCGKSA-N 1 0 228.380 2.446 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NCC2CCC2)cc1 ZINC000304756945 644931212 /nfs/dbraw/zinc/93/12/12/644931212.db2.gz OFVDYELETMQZPY-UHFFFAOYSA-N 1 0 245.370 2.242 20 30 BEEDRO [NH2+]=C(NC/C=C/c1ccccc1)NCC1CCC1 ZINC000304764341 644932158 /nfs/dbraw/zinc/93/21/58/644932158.db2.gz XXIFUUHRBLXKCB-BJMVGYQFSA-N 1 0 243.354 2.404 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCCC(C)(C)C ZINC000304764033 644932971 /nfs/dbraw/zinc/93/29/71/644932971.db2.gz XLHUMLRURLRJRZ-UHFFFAOYSA-N 1 0 213.369 2.469 20 30 BEEDRO Cc1cccc([C@H](C)CNC(=[NH2+])NC(C)C)c1 ZINC000304814207 644933968 /nfs/dbraw/zinc/93/39/68/644933968.db2.gz ZLKMMGGXEZCGRU-GFCCVEGCSA-N 1 0 233.359 2.411 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000304803729 644933996 /nfs/dbraw/zinc/93/39/96/644933996.db2.gz QFGAHUDUTDCAQF-SNVBAGLBSA-N 1 0 239.388 2.239 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253087773 644936727 /nfs/dbraw/zinc/93/67/27/644936727.db2.gz DOJMKFPVZVBZNB-QJPTWQEYSA-N 1 0 229.751 2.364 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253087772 644937553 /nfs/dbraw/zinc/93/75/53/644937553.db2.gz DOJMKFPVZVBZNB-IJLUTSLNSA-N 1 0 229.751 2.364 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C2CC2)cnn1C)C(C)C ZINC000825878938 645063693 /nfs/dbraw/zinc/06/36/93/645063693.db2.gz XDMZDJCWJVMJTG-CYBMUJFWSA-N 1 0 231.343 2.045 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)o2)C1 ZINC000829784294 645110500 /nfs/dbraw/zinc/11/05/00/645110500.db2.gz IJTJGOTXHSZUCY-NEPJUHHUSA-N 1 0 247.342 2.428 20 30 BEEDRO C#CC1CC[NH+](CCOc2ccccc2)CC1 ZINC000830311368 645118345 /nfs/dbraw/zinc/11/83/45/645118345.db2.gz LTCOAAOPUULNRD-UHFFFAOYSA-N 1 0 229.323 2.411 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000830345554 645120915 /nfs/dbraw/zinc/12/09/15/645120915.db2.gz IDLXODSQCYNOKL-OLZOCXBDSA-N 1 0 202.301 2.024 20 30 BEEDRO CC(C)O[NH+]=Cc1ccc2c(c1)CCN2C ZINC000834999939 645156087 /nfs/dbraw/zinc/15/60/87/645156087.db2.gz IOIGLSHAOJJLDS-UHFFFAOYSA-N 1 0 218.300 2.438 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ncco1 ZINC000926514729 645247132 /nfs/dbraw/zinc/24/71/32/645247132.db2.gz ZMRPXTDZXDBUFM-DCAQKATOSA-N 1 0 219.288 2.408 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@@H]1CCCO1 ZINC000842869561 645254932 /nfs/dbraw/zinc/25/49/32/645254932.db2.gz IHBBGVIIADPTMS-RYUDHWBXSA-N 1 0 243.297 2.335 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCCO1 ZINC000842869460 645255413 /nfs/dbraw/zinc/25/54/13/645255413.db2.gz IHBBGVIIADPTMS-NWDGAFQWSA-N 1 0 243.297 2.335 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926525105 645255866 /nfs/dbraw/zinc/25/58/66/645255866.db2.gz IUBQRLLJWWYOAP-MRTXSQPYSA-N 1 0 219.328 2.274 20 30 BEEDRO C[C@H](C[C@H](O)c1ccccc1)[NH2+]CCC#N ZINC000843093553 645263957 /nfs/dbraw/zinc/26/39/57/645263957.db2.gz RFGISBVPLDAJHI-YPMHNXCESA-N 1 0 218.300 2.002 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926546603 645267781 /nfs/dbraw/zinc/26/77/81/645267781.db2.gz UUSQMVKBSSAWQU-RFQIPJPRSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccns1 ZINC000926546919 645269043 /nfs/dbraw/zinc/26/90/43/645269043.db2.gz ZHQSVGURQASEJS-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO Cc1cnc(CC[NH2+][C@H](C)CC(C)(C)C#N)cn1 ZINC000926558281 645279329 /nfs/dbraw/zinc/27/93/29/645279329.db2.gz GZIKAQHUMNNPIJ-LLVKDONJSA-N 1 0 246.358 2.246 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000926563412 645284333 /nfs/dbraw/zinc/28/43/33/645284333.db2.gz HHSVZALKIQQPTA-UTUOFQBUSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccnnc1 ZINC000926570123 645290249 /nfs/dbraw/zinc/29/02/49/645290249.db2.gz VJUHRTVZSDZUEZ-SNVBAGLBSA-N 1 0 218.304 2.067 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000843426721 645292073 /nfs/dbraw/zinc/29/20/73/645292073.db2.gz IAKSPCPEBODODT-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cc1ccccn1 ZINC000926611076 645314706 /nfs/dbraw/zinc/31/47/06/645314706.db2.gz IMPIWZMJVXVJTE-IPYPFGDCSA-N 1 0 246.354 2.193 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C2CC2)C(C)(C)C)nn1 ZINC000926617167 645318692 /nfs/dbraw/zinc/31/86/92/645318692.db2.gz XGYWAFNFOBHLQU-ZDUSSCGKSA-N 1 0 248.374 2.378 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844442946 645333152 /nfs/dbraw/zinc/33/31/52/645333152.db2.gz HNNLNUJJVKWPKZ-QWRGUYRKSA-N 1 0 244.285 2.036 20 30 BEEDRO N#CCCOCC[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844445283 645334756 /nfs/dbraw/zinc/33/47/56/645334756.db2.gz XQMCLCJTMVJCSK-NSHDSACASA-N 1 0 244.285 2.038 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H]1C ZINC000926680836 645352464 /nfs/dbraw/zinc/35/24/64/645352464.db2.gz SJIMAKPHWLSCHH-TYNCELHUSA-N 1 0 244.338 2.114 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]CCc2ccc(C#N)cc2)CO[C@H]1C ZINC000926680834 645352567 /nfs/dbraw/zinc/35/25/67/645352567.db2.gz SJIMAKPHWLSCHH-HUBLWGQQSA-N 1 0 244.338 2.114 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)C(C)(C)CO ZINC000926684597 645355281 /nfs/dbraw/zinc/35/52/81/645355281.db2.gz GPGLLSXDWSLPCM-NSHDSACASA-N 1 0 231.405 2.292 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926705898 645372045 /nfs/dbraw/zinc/37/20/45/645372045.db2.gz XXJLCSFXYZXJLV-LLVKDONJSA-N 1 0 236.315 2.031 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)C(C)(C)CO ZINC000926713453 645374779 /nfs/dbraw/zinc/37/47/79/645374779.db2.gz WBYLJAKVYFRMHP-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC000845928389 645387224 /nfs/dbraw/zinc/38/72/24/645387224.db2.gz MERBXFYARSYUHQ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cnnn1C ZINC000926780501 645427803 /nfs/dbraw/zinc/42/78/03/645427803.db2.gz CHQHTAXFPGOMQD-LLVKDONJSA-N 1 0 236.363 2.458 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000848924725 645443076 /nfs/dbraw/zinc/44/30/76/645443076.db2.gz YXGAJLQVYQUGSH-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2[C@@H](C)COC[C@@H]2C)CC1 ZINC000926841073 645452332 /nfs/dbraw/zinc/45/23/32/645452332.db2.gz VVEJREVCJCDDLS-XUXIUFHCSA-N 1 0 235.371 2.439 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926861849 645459786 /nfs/dbraw/zinc/45/97/86/645459786.db2.gz CQCPKIGEYABFKX-BFHYXJOUSA-N 1 0 243.391 2.233 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C1(Cl)CC1 ZINC000926862153 645460365 /nfs/dbraw/zinc/46/03/65/645460365.db2.gz FNIXKZKCYNNAAP-UWVGGRQHSA-N 1 0 217.740 2.063 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926862125 645460984 /nfs/dbraw/zinc/46/09/84/645460984.db2.gz FAZHKHODAGFTBG-CRWXNKLISA-N 1 0 221.344 2.258 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000926865664 645464219 /nfs/dbraw/zinc/46/42/19/645464219.db2.gz SGXFBZQFTAQXFV-HOAMVYINSA-N 1 0 223.360 2.482 20 30 BEEDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000926874668 645468304 /nfs/dbraw/zinc/46/83/04/645468304.db2.gz SMQWZXKJUSRMBZ-NWDGAFQWSA-N 1 0 224.348 2.187 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000852216185 645476105 /nfs/dbraw/zinc/47/61/05/645476105.db2.gz VLFNAWRCALPRPQ-CQSZACIVSA-N 1 0 238.334 2.446 20 30 BEEDRO C#C[C@](C)(CC)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000854700517 645509745 /nfs/dbraw/zinc/50/97/45/645509745.db2.gz UJWLIKTYJOTDPE-SMDDNHRTSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCO[C@@H]1CCOC1 ZINC000927084486 645543943 /nfs/dbraw/zinc/54/39/43/645543943.db2.gz MWGHUENEUKCYEO-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO CC[C@H]1CC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168369 645579688 /nfs/dbraw/zinc/57/96/88/645579688.db2.gz RXFIJZHNCUYVFR-QWHCGFSZSA-N 1 0 244.342 2.143 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168058 645579805 /nfs/dbraw/zinc/57/98/05/645579805.db2.gz IRORBGHAHYBDQV-NWDGAFQWSA-N 1 0 246.358 2.389 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)C1CCSCC1 ZINC000187350901 645594695 /nfs/dbraw/zinc/59/46/95/645594695.db2.gz AIUAVUJTFHLZSB-LLVKDONJSA-N 1 0 243.441 2.474 20 30 BEEDRO Cc1ccc(C[N@H+]2CCOCC[C@@H]2C)cc1C#N ZINC000859236423 645679707 /nfs/dbraw/zinc/67/97/07/645679707.db2.gz FHFXREODSKHXAD-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000863553271 645704007 /nfs/dbraw/zinc/70/40/07/645704007.db2.gz YKDVNXWNLLDRNR-NWDGAFQWSA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@H](C(=O)Nc1ccc(CCC#N)cc1)[NH+](C)C ZINC000928399804 645726471 /nfs/dbraw/zinc/72/64/71/645726471.db2.gz WLJYVQOPJRZFOI-LLVKDONJSA-N 1 0 245.326 2.031 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCO2)CC1 ZINC000872138950 645764801 /nfs/dbraw/zinc/76/48/01/645764801.db2.gz CAHPBLUTKQGLJR-AAVRWANBSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CC[N@H+](CC1CCSCC1)C1CC1 ZINC000877372017 645793948 /nfs/dbraw/zinc/79/39/48/645793948.db2.gz SXCGKAWMIURHQW-UHFFFAOYSA-N 1 0 209.358 2.227 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1CC1(F)F ZINC000877459796 645797140 /nfs/dbraw/zinc/79/71/40/645797140.db2.gz MMLJAPPEHKCWIO-GZMMTYOYSA-N 1 0 237.253 2.087 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000877650074 645806217 /nfs/dbraw/zinc/80/62/17/645806217.db2.gz NEBIKCOIVUEJRJ-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CC2(CO1)CCOCC2 ZINC000878490757 645815849 /nfs/dbraw/zinc/81/58/49/645815849.db2.gz RADVKGVVZWXHJX-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000878575110 645818748 /nfs/dbraw/zinc/81/87/48/645818748.db2.gz XBHWVKDQHXYXSL-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000878705347 645822960 /nfs/dbraw/zinc/82/29/60/645822960.db2.gz VALABYDSWHDQFM-LBPRGKRZSA-N 1 0 219.332 2.264 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C#N)o2)[C@@H]1C ZINC000883445934 645851452 /nfs/dbraw/zinc/85/14/52/645851452.db2.gz QNAOLPPOUFAYDZ-UTUOFQBUSA-N 1 0 247.342 2.099 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1ncco1 ZINC000886541155 645888442 /nfs/dbraw/zinc/88/84/42/645888442.db2.gz RBXWMNITONRDSW-NSHDSACASA-N 1 0 241.294 2.440 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C(COC)COC ZINC000929162942 645981885 /nfs/dbraw/zinc/98/18/85/645981885.db2.gz WSFZRVXVLTVATO-UHFFFAOYSA-N 1 0 249.354 2.336 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)[C@@H](C)CO1 ZINC000929182749 645992325 /nfs/dbraw/zinc/99/23/25/645992325.db2.gz PTGGHKLLVFRVSM-MRFVTOPCSA-N 1 0 236.359 2.426 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000929216881 646015688 /nfs/dbraw/zinc/01/56/88/646015688.db2.gz VXTTZJUOFSRSHG-JXQTWKCFSA-N 1 0 236.359 2.021 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cncc(C#N)c1 ZINC000929218595 646018315 /nfs/dbraw/zinc/01/83/15/646018315.db2.gz RMUVIVPZRDNSLK-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000929257148 646041243 /nfs/dbraw/zinc/04/12/43/646041243.db2.gz JVPVOBLASNXDAW-JXQTWKCFSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](CC)CO ZINC000929364945 646098314 /nfs/dbraw/zinc/09/83/14/646098314.db2.gz STPNACVHVZXJPB-HNNXBMFYSA-N 1 0 244.338 2.317 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723628633 711527291 /nfs/dbraw/zinc/52/72/91/711527291.db2.gz KCZCFZIUFBIPLM-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO CCCC[N@H+](CCO)CC1CCC(C#N)CC1 ZINC000929512780 646161304 /nfs/dbraw/zinc/16/13/04/646161304.db2.gz ASAAQMAJWCAPTH-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929531734 646176806 /nfs/dbraw/zinc/17/68/06/646176806.db2.gz OQZOOPDKRLSCOJ-GMXVVIOVSA-N 1 0 224.348 2.160 20 30 BEEDRO CC[C@@H](C)[C@H](C)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929531740 646177353 /nfs/dbraw/zinc/17/73/53/646177353.db2.gz OQZOOPDKRLSCOJ-NTZNESFSSA-N 1 0 224.348 2.160 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000925163010 646196999 /nfs/dbraw/zinc/19/69/99/646196999.db2.gz YQSJNUYTNOXQKZ-NSHDSACASA-N 1 0 218.300 2.363 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925161095 646197710 /nfs/dbraw/zinc/19/77/10/646197710.db2.gz NJMHPVVXVOVYIU-UONOGXRCSA-N 1 0 220.360 2.006 20 30 BEEDRO C=CC1CC[NH+](C/C(C)=C\C(=O)OC)CC1 ZINC000929617806 646200678 /nfs/dbraw/zinc/20/06/78/646200678.db2.gz KSKSAMXCGFOMSY-LUAWRHEFSA-N 1 0 223.316 2.004 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000925258406 646223234 /nfs/dbraw/zinc/22/32/34/646223234.db2.gz VORTVNIDRMQVTN-ZJUUUORDSA-N 1 0 206.289 2.315 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000925266582 646224556 /nfs/dbraw/zinc/22/45/56/646224556.db2.gz GCNJKHDHBSDUGL-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C(C)(C)CO ZINC000929674247 646234854 /nfs/dbraw/zinc/23/48/54/646234854.db2.gz FXFLVBKPXHVEIW-UHFFFAOYSA-N 1 0 246.354 2.378 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000925426309 646276474 /nfs/dbraw/zinc/27/64/74/646276474.db2.gz MYEIHBQAMAEPRU-ZJUUUORDSA-N 1 0 222.336 2.222 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925428701 646277973 /nfs/dbraw/zinc/27/79/73/646277973.db2.gz FCHMKZJKFNJREP-QWRGUYRKSA-N 1 0 222.336 2.474 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925430569 646278502 /nfs/dbraw/zinc/27/85/02/646278502.db2.gz MPJMOLRMDSVBFD-IALDZJHCSA-N 1 0 209.333 2.498 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccns1 ZINC000925456224 646285927 /nfs/dbraw/zinc/28/59/27/646285927.db2.gz UENMYQQOJPSTNV-VIFPVBQESA-N 1 0 226.370 2.160 20 30 BEEDRO C[C@@]1(O)CC[N@H+](CCCCC2(C#N)CCC2)C1 ZINC000929789846 646316788 /nfs/dbraw/zinc/31/67/88/646316788.db2.gz SZDZHUCWOGTOFY-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(OC)c1C ZINC000929787767 646317407 /nfs/dbraw/zinc/31/74/07/646317407.db2.gz NCBWMIXDECJCFZ-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccns1 ZINC000925532022 646320440 /nfs/dbraw/zinc/32/04/40/646320440.db2.gz PBIIKBRPJASMSV-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929791086 646321327 /nfs/dbraw/zinc/32/13/27/646321327.db2.gz BKXAAONBSRLARP-WXRRBKDZSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925544197 646323385 /nfs/dbraw/zinc/32/33/85/646323385.db2.gz ZKGZBFIRTJDXGS-PWSUYJOCSA-N 1 0 246.358 2.185 20 30 BEEDRO CCCCC[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929852141 646361072 /nfs/dbraw/zinc/36/10/72/646361072.db2.gz CFKYCCVFMOWJIL-QWHCGFSZSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](c1ccccc1)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929906444 646370440 /nfs/dbraw/zinc/37/04/40/646370440.db2.gz TZTPFWLSGOPYSF-SWLSCSKDSA-N 1 0 244.338 2.487 20 30 BEEDRO CC#CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000925649470 646389906 /nfs/dbraw/zinc/38/99/06/646389906.db2.gz FQDWGHUJVLAGJE-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000925654273 646395093 /nfs/dbraw/zinc/39/50/93/646395093.db2.gz FRFVLAYIDOJGGH-TZMCWYRMSA-N 1 0 243.354 2.358 20 30 BEEDRO CCN1CC[N@H+](CC2CCC(C#N)CC2)C[C@@H]1C ZINC000930084835 646426909 /nfs/dbraw/zinc/42/69/09/646426909.db2.gz DKIRMQHYRIPEDE-NFOMZHRRSA-N 1 0 249.402 2.342 20 30 BEEDRO CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000925704137 646428969 /nfs/dbraw/zinc/42/89/69/646428969.db2.gz IGNKFQDCYUSKIJ-RVMXOQNASA-N 1 0 235.375 2.174 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925709353 646434018 /nfs/dbraw/zinc/43/40/18/646434018.db2.gz VCBMEOGDFJUTLP-QWRGUYRKSA-N 1 0 222.336 2.211 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@@H]1O ZINC000930160262 646465535 /nfs/dbraw/zinc/46/55/35/646465535.db2.gz MYWFBZADSMZUOF-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cc(N)ccn2)CC1 ZINC000925768103 646469322 /nfs/dbraw/zinc/46/93/22/646469322.db2.gz SPKJFNABXHRXKY-UHFFFAOYSA-N 1 0 244.342 2.226 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925772341 646473891 /nfs/dbraw/zinc/47/38/91/646473891.db2.gz RHSMWAYNUNFRCM-KCPJHIHWSA-N 1 0 246.354 2.048 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1C(C)(C)C ZINC000925979076 646552395 /nfs/dbraw/zinc/55/23/95/646552395.db2.gz IRUYATGCGSONCZ-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926117040 646578141 /nfs/dbraw/zinc/57/81/41/646578141.db2.gz VOHGOTWNJCDDNI-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926201194 646593885 /nfs/dbraw/zinc/59/38/85/646593885.db2.gz ZVXGFZFMFWMRLV-NSHDSACASA-N 1 0 205.305 2.484 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926200459 646594024 /nfs/dbraw/zinc/59/40/24/646594024.db2.gz TYKIPQWCQAPYEU-GHMZBOCLSA-N 1 0 220.320 2.230 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccnnc1 ZINC000926349996 646623906 /nfs/dbraw/zinc/62/39/06/646623906.db2.gz FRKCQFBXHZCWQG-PWSUYJOCSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCCCCCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926422057 646634515 /nfs/dbraw/zinc/63/45/15/646634515.db2.gz GIORYYDADDQMBK-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccnnc1 ZINC000926427446 646637213 /nfs/dbraw/zinc/63/72/13/646637213.db2.gz ZSKVVGWFBXCOIW-NSHDSACASA-N 1 0 232.331 2.457 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cc(CO)on1 ZINC000926482892 646656062 /nfs/dbraw/zinc/65/60/62/646656062.db2.gz QESIAAQGODDXAG-SNVBAGLBSA-N 1 0 238.331 2.420 20 30 BEEDRO C=C(C[NH2+][C@@H](C)COC(C)=O)c1ccccc1 ZINC000892713158 711686231 /nfs/dbraw/zinc/68/62/31/711686231.db2.gz XTWURMCRPCCLSU-LBPRGKRZSA-N 1 0 233.311 2.241 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000379854689 711812710 /nfs/dbraw/zinc/81/27/10/711812710.db2.gz BNNQKOZCIBHYQJ-LLVKDONJSA-N 1 0 205.305 2.138 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](COC)C(C)C ZINC000721904824 711813694 /nfs/dbraw/zinc/81/36/94/711813694.db2.gz RATFESYAWQMWCO-STQMWFEESA-N 1 0 211.349 2.297 20 30 BEEDRO C=CCCCCC[NH2+][C@H](CCO)C1CC1 ZINC000380361940 711818128 /nfs/dbraw/zinc/81/81/28/711818128.db2.gz YVXDLFIYRSFPLE-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO COC1CC(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000703398316 711874912 /nfs/dbraw/zinc/87/49/12/711874912.db2.gz ODTHRIJIRKVPGY-KPFVRQRISA-N 1 0 222.332 2.035 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1COCC1(C)C)C(C)(C)C ZINC000702226235 712043396 /nfs/dbraw/zinc/04/33/96/712043396.db2.gz CMKIOVGGTNEYAF-MNOVXSKESA-N 1 0 209.333 2.049 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C/C=C(/C)C(=O)OC)C1 ZINC000703689922 712083729 /nfs/dbraw/zinc/08/37/29/712083729.db2.gz JOVILJHAHMZTHH-HUMZTAOYSA-N 1 0 223.316 2.004 20 30 BEEDRO CCCCCCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000703756389 712085193 /nfs/dbraw/zinc/08/51/93/712085193.db2.gz LZFJISWYHDRIPF-ZDUSSCGKSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000703782467 712087593 /nfs/dbraw/zinc/08/75/93/712087593.db2.gz JXXDDNBBNQVPHJ-QWHCGFSZSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000705944846 712138194 /nfs/dbraw/zinc/13/81/94/712138194.db2.gz QLZUAIXHJNSZDK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000708806872 712199480 /nfs/dbraw/zinc/19/94/80/712199480.db2.gz GLIPYKPUWLYFDI-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCNc1cccc(C[NH+](C)C)c1 ZINC000709709505 712216017 /nfs/dbraw/zinc/21/60/17/712216017.db2.gz QWJPWUNFTBDAOH-UHFFFAOYSA-N 1 0 202.301 2.183 20 30 BEEDRO CC1(C)C[C@@H](C[NH2+]CCC#N)C(C)(C)O1 ZINC000709702509 712216130 /nfs/dbraw/zinc/21/61/30/712216130.db2.gz CBEALYQDTFJVLC-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711030015 712275581 /nfs/dbraw/zinc/27/55/81/712275581.db2.gz BOCSBXIJMSHESZ-XJFOESAGSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711144464 712285435 /nfs/dbraw/zinc/28/54/35/712285435.db2.gz MVJRGDQWTZXSCM-RNJOBUHISA-N 1 0 209.333 2.092 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711376396 712295712 /nfs/dbraw/zinc/29/57/12/712295712.db2.gz IUBZENVHZRHYNB-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1csc([C@H](C)[NH2+]CCOCCC#N)n1 ZINC000378861633 712364138 /nfs/dbraw/zinc/36/41/38/712364138.db2.gz RJTAPMOZGDHBFK-JTQLQIEISA-N 1 0 239.344 2.032 20 30 BEEDRO CCCN[NH+]=C(CC)c1cccc(N)c1 ZINC000378849930 712366252 /nfs/dbraw/zinc/36/62/52/712366252.db2.gz DJGKTINZKIMEGT-UHFFFAOYSA-N 1 0 205.305 2.383 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCSC(C)(C)C ZINC000379411820 712383172 /nfs/dbraw/zinc/38/31/72/712383172.db2.gz IXZSCCPYTRHPQO-VIFPVBQESA-N 1 0 200.351 2.410 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC000713055512 712451735 /nfs/dbraw/zinc/45/17/35/712451735.db2.gz ABRKKVPDFCLVMW-JHJVBQTASA-N 1 0 223.360 2.175 20 30 BEEDRO CCCCCCCNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713366522 712459672 /nfs/dbraw/zinc/45/96/72/712459672.db2.gz XWQXNDDZKMVKTF-DYEKYZERSA-N 1 0 238.375 2.200 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCOC(F)(F)F ZINC000713437449 712460348 /nfs/dbraw/zinc/46/03/48/712460348.db2.gz PZCNCZWRPXAXMZ-QMMMGPOBSA-N 1 0 224.226 2.004 20 30 BEEDRO C[C@H](CC#N)N(C)C[C@H]1CCC(C)(C)CO1 ZINC000713619315 712467391 /nfs/dbraw/zinc/46/73/91/712467391.db2.gz NDLHLBIQNRLVEW-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H](C)CC(C)C ZINC000716930093 712596792 /nfs/dbraw/zinc/59/67/92/712596792.db2.gz XRQVNJRKYXKQCN-CHWSQXEVSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)c(F)c1 ZINC000716933509 712597353 /nfs/dbraw/zinc/59/73/53/712597353.db2.gz IPDCLRCHDAYKHG-ZDUSSCGKSA-N 1 0 235.302 2.262 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)C(C)(C)C ZINC000379818419 712611717 /nfs/dbraw/zinc/61/17/17/712611717.db2.gz ROEQBUNAQLXPPQ-GHMZBOCLSA-N 1 0 212.337 2.281 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1cccs1 ZINC000379837959 712616509 /nfs/dbraw/zinc/61/65/09/712616509.db2.gz CFMPBUFWVQVNMM-UWVGGRQHSA-N 1 0 224.329 2.327 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCCCC#N ZINC000379876769 712620108 /nfs/dbraw/zinc/62/01/08/712620108.db2.gz ANGRGBMGNSOXIR-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1C ZINC000717699506 712665365 /nfs/dbraw/zinc/66/53/65/712665365.db2.gz PSFZGHCGSRZMDK-ZDUSSCGKSA-N 1 0 237.730 2.122 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C1CCC(C2CCC2)CC1 ZINC000717729031 712667708 /nfs/dbraw/zinc/66/77/08/712667708.db2.gz RYXLECFNAFUNKW-NRXISQOPSA-N 1 0 235.371 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cc1ccsc1 ZINC000717739042 712668252 /nfs/dbraw/zinc/66/82/52/712668252.db2.gz JYSOKTXISSMEOG-WCQYABFASA-N 1 0 237.368 2.043 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@H](CC)C1 ZINC000717841096 712691597 /nfs/dbraw/zinc/69/15/97/712691597.db2.gz OGAUNCCXLYGTFV-BFHYXJOUSA-N 1 0 223.360 2.177 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000718846558 712785983 /nfs/dbraw/zinc/78/59/83/712785983.db2.gz YXJRQTMQIIECJH-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CC[C@@](C)([NH3+])C1 ZINC001204810100 1169475914 /nfs/dbraw/zinc/47/59/14/1169475914.db2.gz NACSRUQDLWTDLN-OAHLLOKOSA-N 1 0 243.354 2.044 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000380361012 712897606 /nfs/dbraw/zinc/89/76/06/712897606.db2.gz YKEUHRSYQOIYHE-QWHCGFSZSA-N 1 0 212.381 2.497 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1ccccc1F ZINC000384124015 710617210 /nfs/dbraw/zinc/61/72/10/710617210.db2.gz APBWDTRPDSKGIA-ZIAGYGMSSA-N 1 0 235.302 2.251 20 30 BEEDRO CO[C@H](C[NH2+]CC#Cc1ccccc1)C(C)C ZINC000381292119 710617303 /nfs/dbraw/zinc/61/73/03/710617303.db2.gz NXIUZLCUVLVYIV-OAHLLOKOSA-N 1 0 231.339 2.299 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CCCC1)[C@H]1CCCO1 ZINC000381348215 710625590 /nfs/dbraw/zinc/62/55/90/710625590.db2.gz ZQHGEOWMEXWWDT-FPMFFAJLSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCCCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000381490009 710644600 /nfs/dbraw/zinc/64/46/00/710644600.db2.gz XBDGJLQHKZCCHP-GFCCVEGCSA-N 1 0 219.332 2.264 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721208545 712898612 /nfs/dbraw/zinc/89/86/12/712898612.db2.gz SIYGQQSHBVXSKP-STQMWFEESA-N 1 0 241.400 2.290 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CC23CCC3)cc1 ZINC000721210708 712898827 /nfs/dbraw/zinc/89/88/27/712898827.db2.gz WDMJPCORPXUPHP-KGLIPLIRSA-N 1 0 242.322 2.124 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC1CC(F)(F)C1 ZINC000384144006 710660803 /nfs/dbraw/zinc/66/08/03/710660803.db2.gz FCXNOQRNOCKWDI-SNVBAGLBSA-N 1 0 201.260 2.423 20 30 BEEDRO C#CCSCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000381619863 710662935 /nfs/dbraw/zinc/66/29/35/710662935.db2.gz YJSRGPWMSZYXSY-QWHCGFSZSA-N 1 0 241.400 2.148 20 30 BEEDRO COC[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000721743305 710683999 /nfs/dbraw/zinc/68/39/99/710683999.db2.gz CENXGQRNOKODAF-QWHCGFSZSA-N 1 0 224.348 2.141 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000381762611 710704673 /nfs/dbraw/zinc/70/46/73/710704673.db2.gz UKGNHNNEPUOHJH-LLVKDONJSA-N 1 0 218.300 2.241 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000722819309 710721368 /nfs/dbraw/zinc/72/13/68/710721368.db2.gz BVVIMYLBOFRMKZ-GFCCVEGCSA-N 1 0 249.358 2.248 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001039378156 710726296 /nfs/dbraw/zinc/72/62/96/710726296.db2.gz IXBBUZKUZXSSMX-OLZOCXBDSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725065730 710754301 /nfs/dbraw/zinc/75/43/01/710754301.db2.gz VMOGXVVCULGYLJ-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C#CCCC[NH2+][C@@H](CCO)C1CCCCC1 ZINC000381858354 710756536 /nfs/dbraw/zinc/75/65/36/710756536.db2.gz VNIZLDNBGGJURP-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001041182206 710764148 /nfs/dbraw/zinc/76/41/48/710764148.db2.gz AGZGVJHPTMSNNT-KSKAUBAUSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C/C)C[C@H]21 ZINC001042002695 710773121 /nfs/dbraw/zinc/77/31/21/710773121.db2.gz KSLWDPZOAIJGLC-KDHQJITESA-N 1 0 248.370 2.061 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(C)s1 ZINC000382183868 710806364 /nfs/dbraw/zinc/80/63/64/710806364.db2.gz GTBQRIBUNBKQQR-UHFFFAOYSA-N 1 0 236.384 2.101 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cnc(C)s1 ZINC000384189246 710813140 /nfs/dbraw/zinc/81/31/40/710813140.db2.gz UPNSFVADCLDZGA-NSHDSACASA-N 1 0 208.330 2.343 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000393874457 710816882 /nfs/dbraw/zinc/81/68/82/710816882.db2.gz FKEUHKFQAJDKJK-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1ccccc1 ZINC000384198135 710821125 /nfs/dbraw/zinc/82/11/25/710821125.db2.gz ZEBQZFRLXFPUNY-AWEZNQCLSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC1(O)CCCCC1 ZINC000384198416 710822516 /nfs/dbraw/zinc/82/25/16/710822516.db2.gz ZFMNLKNPJCJFCI-GFCCVEGCSA-N 1 0 209.333 2.073 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000384205468 710823077 /nfs/dbraw/zinc/82/30/77/710823077.db2.gz NBXIUFQOPPWRFW-HNNXBMFYSA-N 1 0 244.338 2.325 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C=C(C)C)[C@@H](C)C1 ZINC001044433168 710827430 /nfs/dbraw/zinc/82/74/30/710827430.db2.gz RKEJINIVKMZSGW-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)[C@H](C)C1 ZINC001044542114 710828058 /nfs/dbraw/zinc/82/80/58/710828058.db2.gz CKAXGZWCVJXVTH-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000383029138 710841685 /nfs/dbraw/zinc/84/16/85/710841685.db2.gz CFJJVBSYKYMECZ-KGLIPLIRSA-N 1 0 236.403 2.356 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC=CCC2)C1 ZINC001046134631 710849471 /nfs/dbraw/zinc/84/94/71/710849471.db2.gz DQUYKYNBFMQMKZ-HIFRSBDPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2ccoc2)C1 ZINC001046147244 710853112 /nfs/dbraw/zinc/85/31/12/710853112.db2.gz SJWJOXWDYNWNFC-CQSZACIVSA-N 1 0 248.326 2.050 20 30 BEEDRO COCCC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109332 710892691 /nfs/dbraw/zinc/89/26/91/710892691.db2.gz NXPYPTVXKUWUHO-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C2=CCCC2)C1 ZINC001046240539 710856811 /nfs/dbraw/zinc/85/68/11/710856811.db2.gz SDWRSECGIGAJRF-OAHLLOKOSA-N 1 0 248.370 2.253 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(C)cc1 ZINC000383038627 710868767 /nfs/dbraw/zinc/86/87/67/710868767.db2.gz GKSUMOHILBWMAW-UHFFFAOYSA-N 1 0 230.355 2.040 20 30 BEEDRO COC1([C@@H](C)[NH2+]CC(C)(C)C#N)CCCC1 ZINC000903102327 710891687 /nfs/dbraw/zinc/89/16/87/710891687.db2.gz WHNPXHZTIDGFQW-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC ZINC001049262504 710897550 /nfs/dbraw/zinc/89/75/50/710897550.db2.gz DJDWZGRTINUHDQ-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC ZINC001049266900 710897819 /nfs/dbraw/zinc/89/78/19/710897819.db2.gz WSTUCCRRBYVRBA-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C2=CCCC2)C[C@H]1C ZINC001054572663 710938465 /nfs/dbraw/zinc/93/84/65/710938465.db2.gz XGWIUEXZKLXPQF-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH+]1CCC2(CN(C(=O)/C(C)=C\C)C2)CC1 ZINC001050480611 710953421 /nfs/dbraw/zinc/95/34/21/710953421.db2.gz TWWMYNAHGCSUSR-ACAGNQJTSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)C2CC=CC2)CC1 ZINC001052269510 710964067 /nfs/dbraw/zinc/96/40/67/710964067.db2.gz USYJSBZLWIAVHM-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H](CC)C1 ZINC000383151688 710977000 /nfs/dbraw/zinc/97/70/00/710977000.db2.gz JUGOZIMSUAVFEV-HUUCEWRRSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000383151664 710978131 /nfs/dbraw/zinc/97/81/31/710978131.db2.gz JUGOZIMSUAVFEV-CABCVRRESA-N 1 0 236.403 2.500 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000383366477 710980128 /nfs/dbraw/zinc/98/01/28/710980128.db2.gz VHHSSWRBKGVZPG-FZMZJTMJSA-N 1 0 230.311 2.477 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000384041803 710987359 /nfs/dbraw/zinc/98/73/59/710987359.db2.gz QIZQATCKNVXRNQ-UHFFFAOYSA-N 1 0 231.339 2.417 20 30 BEEDRO CCCCCCCC(=O)N(C)C1CC([NH3+])C1 ZINC000384722016 710995271 /nfs/dbraw/zinc/99/52/71/710995271.db2.gz HLRZNARADBYOGW-UHFFFAOYSA-N 1 0 226.364 2.295 20 30 BEEDRO C=CCCCCCC[NH2+]Cc1cn(C)nn1 ZINC000380618460 712902012 /nfs/dbraw/zinc/90/20/12/712902012.db2.gz ZZBAASSXEHFPPT-UHFFFAOYSA-N 1 0 222.336 2.041 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000386839051 711037274 /nfs/dbraw/zinc/03/72/74/711037274.db2.gz XGZUQGXEYHLMJD-UHFFFAOYSA-N 1 0 235.283 2.177 20 30 BEEDRO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000386966608 711039398 /nfs/dbraw/zinc/03/93/98/711039398.db2.gz FOLZXOHVLFMONQ-SRVKXCTJSA-N 1 0 248.326 2.009 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](CC)C1CCCC1 ZINC000387395169 711042041 /nfs/dbraw/zinc/04/20/41/711042041.db2.gz BOGWHKVDKCNQKL-HNNXBMFYSA-N 1 0 236.403 2.500 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)C1CCCC1 ZINC000389352130 711076692 /nfs/dbraw/zinc/07/66/92/711076692.db2.gz YUTBLEKIBBEHBW-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000389598684 711082208 /nfs/dbraw/zinc/08/22/08/711082208.db2.gz RXHBCKVASMCAHH-NSHDSACASA-N 1 0 223.341 2.357 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1cccc(Cl)c1Cl ZINC000389612372 711083086 /nfs/dbraw/zinc/08/30/86/711083086.db2.gz MLWONQDCGJOILV-UHFFFAOYSA-N 1 0 245.113 2.200 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@H]1CCCO1 ZINC000390169243 711107846 /nfs/dbraw/zinc/10/78/46/711107846.db2.gz GJFDHIGTYGZSRV-FRRDWIJNSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)[C@H]1CCCO1 ZINC000390445533 711117836 /nfs/dbraw/zinc/11/78/36/711117836.db2.gz XJPXQNVUZVGMOU-XJFOESAGSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCS(=O)(=O)C(C)C ZINC000390603681 711128261 /nfs/dbraw/zinc/12/82/61/711128261.db2.gz BXJRLZAREVUWOV-LBPRGKRZSA-N 1 0 247.404 2.144 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000392759797 711151730 /nfs/dbraw/zinc/15/17/30/711151730.db2.gz ORRSNLUFFYWSGP-UHFFFAOYSA-N 1 0 233.315 2.207 20 30 BEEDRO C=CCCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000393750441 711172597 /nfs/dbraw/zinc/17/25/97/711172597.db2.gz QTVHAGZQCHQTOH-VIFPVBQESA-N 1 0 207.277 2.003 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001071279615 711182499 /nfs/dbraw/zinc/18/24/99/711182499.db2.gz VWJZCPAAUXJEMV-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071279614 711182505 /nfs/dbraw/zinc/18/25/05/711182505.db2.gz VWJZCPAAUXJEMV-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCN(C)CCC[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000394782643 711197747 /nfs/dbraw/zinc/19/77/47/711197747.db2.gz HNBOJBVLNMQUHF-GJZGRUSLSA-N 1 0 236.403 2.357 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cncc(C)c1 ZINC000395148860 711203611 /nfs/dbraw/zinc/20/36/11/711203611.db2.gz MVZYIGDDFYRTCX-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]CC#Cc2ccccc2)O1 ZINC000398072204 711400381 /nfs/dbraw/zinc/40/03/81/711400381.db2.gz MQRSISIUFBMSBI-DZGCQCFKSA-N 1 0 229.323 2.195 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000381279872 710616414 /nfs/dbraw/zinc/61/64/14/710616414.db2.gz XVWKGMPRXGCDMJ-CHWSQXEVSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+]C(CCC)CCC ZINC000381383817 710630477 /nfs/dbraw/zinc/63/04/77/710630477.db2.gz MATWQTOFLLWWIJ-UHFFFAOYSA-N 1 0 247.404 2.146 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000724587081 710741968 /nfs/dbraw/zinc/74/19/68/710741968.db2.gz XOKYASDHZUXOAV-UHFFFAOYSA-N 1 0 219.332 2.256 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)[C@H](C)C1 ZINC001044542968 710829448 /nfs/dbraw/zinc/82/94/48/710829448.db2.gz KOYKTUPQGXCJPK-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NCCCCC ZINC000384222874 710835028 /nfs/dbraw/zinc/83/50/28/710835028.db2.gz TVMYNDNVQLZXFS-JSGCOSHPSA-N 1 0 238.375 2.073 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000384224845 710835148 /nfs/dbraw/zinc/83/51/48/710835148.db2.gz UTNRZZXIRASSCA-ZIAGYGMSSA-N 1 0 235.302 2.251 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C)CC1 ZINC001049488916 710900491 /nfs/dbraw/zinc/90/04/91/710900491.db2.gz CURIBHVIVCRVGV-CHWSQXEVSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]CCC)[C@@H](C)C1 ZINC001054966194 710943459 /nfs/dbraw/zinc/94/34/59/710943459.db2.gz JJIKDFRGLZQXBP-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H]1C ZINC000307427743 711480246 /nfs/dbraw/zinc/48/02/46/711480246.db2.gz RWLFXCZWQOQUAT-POYBYMJQSA-N 1 0 204.111 2.283 20 30 BEEDRO CC[N@H+](CCCOC(F)(F)F)C[C@@H](C)C#N ZINC000713438072 711489353 /nfs/dbraw/zinc/48/93/53/711489353.db2.gz RWMUXLQQLPDAEK-VIFPVBQESA-N 1 0 238.253 2.394 20 30 BEEDRO CSCCCCCCNC1=[NH+]CCCN1C ZINC000386366279 711529609 /nfs/dbraw/zinc/52/96/09/711529609.db2.gz APEGLYYHRQLEMJ-UHFFFAOYSA-N 1 0 243.420 2.191 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H](C1CC1)[C@@H]1CCCOC1 ZINC000723965353 711548313 /nfs/dbraw/zinc/54/83/13/711548313.db2.gz PEKUTNCSABVEMI-OLZOCXBDSA-N 1 0 236.359 2.331 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCOC1 ZINC000723976215 711550261 /nfs/dbraw/zinc/55/02/61/711550261.db2.gz QCWBTDFNRHLYAY-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723995886 711552080 /nfs/dbraw/zinc/55/20/80/711552080.db2.gz RPYAOJMFLRCSGE-UONOGXRCSA-N 1 0 248.370 2.475 20 30 BEEDRO C[C@H]1C[N@@H+](Cc2cncc(C#N)c2)CC[C@@H]1C ZINC000721501633 711571524 /nfs/dbraw/zinc/57/15/24/711571524.db2.gz SFIOZWAOLWPRDW-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C[C@@H]1C ZINC000721501630 711571562 /nfs/dbraw/zinc/57/15/62/711571562.db2.gz SFIOZWAOLWPRDW-NEPJUHHUSA-N 1 0 229.327 2.431 20 30 BEEDRO C[N@H+](CCCF)Cc1cc(C#N)ccc1F ZINC000716719222 711579705 /nfs/dbraw/zinc/57/97/05/711579705.db2.gz USCIKKCJOZDUGZ-UHFFFAOYSA-N 1 0 224.254 2.489 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000724542039 711587441 /nfs/dbraw/zinc/58/74/41/711587441.db2.gz IAYFJKIVDACRHI-AWEZNQCLSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000934469568 711587801 /nfs/dbraw/zinc/58/78/01/711587801.db2.gz FIOPBDSBKRVLSZ-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@@H]1CCN1[C@H](C)c1nc(CC)no1 ZINC000934469380 711587940 /nfs/dbraw/zinc/58/79/40/711587940.db2.gz BOEKZGCPNSDCSK-NXEZZACHSA-N 1 0 221.304 2.343 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCn2ccnc21 ZINC000926504844 711617573 /nfs/dbraw/zinc/61/75/73/711617573.db2.gz WVKCROKHXYNPIF-QWRGUYRKSA-N 1 0 232.331 2.246 20 30 BEEDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H](CC#N)C2)on1 ZINC000926512303 711619423 /nfs/dbraw/zinc/61/94/23/711619423.db2.gz DYSJTKFYBMUSSA-DCAQKATOSA-N 1 0 249.314 2.416 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](CCO)C1CCCC1 ZINC000725076478 711649081 /nfs/dbraw/zinc/64/90/81/711649081.db2.gz DIKYZUAGEPYZBD-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO CCC1(CNC(=[NH2+])NC(C)(C)C)CCC1 ZINC000083977204 711662232 /nfs/dbraw/zinc/66/22/32/711662232.db2.gz JEVGLGCDRBGCIA-UHFFFAOYSA-N 1 0 211.353 2.270 20 30 BEEDRO C[C@@H]1C[NH+](Cc2cncc(C#N)c2)C[C@H]1C ZINC000721614892 711670748 /nfs/dbraw/zinc/67/07/48/711670748.db2.gz NJIJZNRCXRXDTM-GHMZBOCLSA-N 1 0 215.300 2.041 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1cncc(C#N)c1 ZINC000721613622 711670789 /nfs/dbraw/zinc/67/07/89/711670789.db2.gz DCNJKZADDGCOSG-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C[N@H+](Cc1cncc(C#N)c1)CC(C)(C)C ZINC000721614008 711670830 /nfs/dbraw/zinc/67/08/30/711670830.db2.gz FKCUYLIFYPBWIW-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721624723 711671422 /nfs/dbraw/zinc/67/14/22/711671422.db2.gz RELKSSSFEFYNRN-ZDUSSCGKSA-N 1 0 247.367 2.281 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000229852382 711678203 /nfs/dbraw/zinc/67/82/03/711678203.db2.gz PGAPMBXSORMUON-UHFFFAOYSA-N 1 0 249.285 2.115 20 30 BEEDRO C#C[C@H]([NH2+]CCSC(C)(C)C)[C@@H]1CCCO1 ZINC000309423118 711697669 /nfs/dbraw/zinc/69/76/69/711697669.db2.gz AFRXZQWEADQNJX-RYUDHWBXSA-N 1 0 241.400 2.289 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925531505 711698525 /nfs/dbraw/zinc/69/85/25/711698525.db2.gz LCARJLUBDDOQSI-IYXRBSQSSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCSCCN[C@@H]1CC[NH2+]C1(C)C ZINC000925711299 711711145 /nfs/dbraw/zinc/71/11/45/711711145.db2.gz ZOAAISCTFVMWSB-LLVKDONJSA-N 1 0 228.405 2.026 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000721384185 711719623 /nfs/dbraw/zinc/71/96/23/711719623.db2.gz BQSXNPXGRPNFGZ-OUAUKWLOSA-N 1 0 249.276 2.488 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CCC)C1 ZINC001027271810 711723091 /nfs/dbraw/zinc/72/30/91/711723091.db2.gz WMNNMIFALCMJAX-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C3CC3)O2)o1 ZINC000722315175 711734666 /nfs/dbraw/zinc/73/46/66/711734666.db2.gz PNOIUFGTROGNMJ-KGLIPLIRSA-N 1 0 246.310 2.198 20 30 BEEDRO CCCCCCCC[N@@H+]1CCOC[C@@H](O)C1 ZINC000399916159 711764257 /nfs/dbraw/zinc/76/42/57/711764257.db2.gz OMFJDOLMYALBTJ-ZDUSSCGKSA-N 1 0 229.364 2.040 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3cn[nH]c3)CC2)C1 ZINC000338947952 711767510 /nfs/dbraw/zinc/76/75/10/711767510.db2.gz LJWFFEFLRRVZIM-RISCZKNCSA-N 1 0 244.342 2.281 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2[nH]nc(C)c2C)C1 ZINC000895079236 711776130 /nfs/dbraw/zinc/77/61/30/711776130.db2.gz WDHBGHXIYDQWMO-ZDUSSCGKSA-N 1 0 231.343 2.262 20 30 BEEDRO CC#CC[N@H+](C)Cc1cc(C)ccc1O ZINC000897166582 711784491 /nfs/dbraw/zinc/78/44/91/711784491.db2.gz RHUGHZDDJAVDLF-UHFFFAOYSA-N 1 0 203.285 2.156 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)nc1)C(C)C ZINC000897170805 711784855 /nfs/dbraw/zinc/78/48/55/711784855.db2.gz IMNMSFKDYXJMFV-UHFFFAOYSA-N 1 0 206.264 2.064 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC000987833662 711792596 /nfs/dbraw/zinc/79/25/96/711792596.db2.gz MHSSGXAIVFMCEJ-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628785 711798297 /nfs/dbraw/zinc/79/82/97/711798297.db2.gz CHPIZOIBBZNIGX-SCZZXKLOSA-N 1 0 221.329 2.293 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CCC(C#N)CC2)n1 ZINC000897630171 711798536 /nfs/dbraw/zinc/79/85/36/711798536.db2.gz TZJCFWUELGKWKT-UHFFFAOYSA-N 1 0 246.339 2.187 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCC23CCC3)n1 ZINC000897630446 711798558 /nfs/dbraw/zinc/79/85/58/711798558.db2.gz YVNIHXIHJFNNAH-SNVBAGLBSA-N 1 0 233.340 2.437 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCC23CCC3)n1 ZINC000897630445 711798582 /nfs/dbraw/zinc/79/85/82/711798582.db2.gz YVNIHXIHJFNNAH-JTQLQIEISA-N 1 0 233.340 2.437 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000159750061 711804838 /nfs/dbraw/zinc/80/48/38/711804838.db2.gz IDCHUDCYINWFNM-WHXUTIOJSA-N 1 0 240.347 2.206 20 30 BEEDRO CCCCCCCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000381668690 711821499 /nfs/dbraw/zinc/82/14/99/711821499.db2.gz BOKTWHRUNHQHJE-QWRGUYRKSA-N 1 0 214.353 2.199 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000166727239 711827554 /nfs/dbraw/zinc/82/75/54/711827554.db2.gz JSXFISDHUFNYSQ-NWDGAFQWSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCSCC[NH2+]Cc1ncc(Cl)s1 ZINC000225354977 711828117 /nfs/dbraw/zinc/82/81/17/711828117.db2.gz OXAXKWJIJAPSPU-UHFFFAOYSA-N 1 0 246.788 2.253 20 30 BEEDRO C=C(Cl)CN(C)CC[C@H]([NH3+])C(C)C ZINC000227737404 711832669 /nfs/dbraw/zinc/83/26/69/711832669.db2.gz MSAUEHGHDAWASR-JTQLQIEISA-N 1 0 204.745 2.044 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000829815938 711854118 /nfs/dbraw/zinc/85/41/18/711854118.db2.gz WHYLKMYKOHOHAV-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000829815824 711854237 /nfs/dbraw/zinc/85/42/37/711854237.db2.gz ULRVZOINXSEAQF-QWHCGFSZSA-N 1 0 223.360 2.129 20 30 BEEDRO CO[C@@H]([C@@H](C)[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000388288779 711861703 /nfs/dbraw/zinc/86/17/03/711861703.db2.gz TZFRIPAAEMWPLZ-CJNGLKHVSA-N 1 0 243.350 2.441 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000703719338 711877049 /nfs/dbraw/zinc/87/70/49/711877049.db2.gz XRIRRZVHVVZMGC-VIFPVBQESA-N 1 0 223.703 2.460 20 30 BEEDRO CCCCCCCNC(=O)CC[NH2+]C1CC1 ZINC000703753626 711877067 /nfs/dbraw/zinc/87/70/67/711877067.db2.gz PFOIWCKELDKCSY-UHFFFAOYSA-N 1 0 226.364 2.215 20 30 BEEDRO C=C(Cl)CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000069731607 711893903 /nfs/dbraw/zinc/89/39/03/711893903.db2.gz SHEHCUMCOQKASQ-NSHDSACASA-N 1 0 222.719 2.129 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(C)=O ZINC001049266443 711933000 /nfs/dbraw/zinc/93/30/00/711933000.db2.gz WGBQCZFWCPLVOV-KGLIPLIRSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(OC)cc1C ZINC000921978938 711950952 /nfs/dbraw/zinc/95/09/52/711950952.db2.gz AGVJGVMRZUHWOI-UHFFFAOYSA-N 1 0 235.327 2.296 20 30 BEEDRO C[C@@H]1Cc2cc(C[NH2+]CCCC#N)ccc2O1 ZINC000921986371 711951264 /nfs/dbraw/zinc/95/12/64/711951264.db2.gz YYJIQRJLHGTAMW-LLVKDONJSA-N 1 0 230.311 2.403 20 30 BEEDRO Cn1cc(C[NH2+]CCCC#N)c(C2CCCC2)n1 ZINC000921984163 711951779 /nfs/dbraw/zinc/95/17/79/711951779.db2.gz GQORWUCTGIQHIH-UHFFFAOYSA-N 1 0 246.358 2.471 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@]2(C)C=CCC2)C1 ZINC001033332779 711984461 /nfs/dbraw/zinc/98/44/61/711984461.db2.gz PIVUBRQWSOCKLL-DZGCQCFKSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001033398175 711989261 /nfs/dbraw/zinc/98/92/61/711989261.db2.gz HCGDFVOPNZWTRC-CYBMUJFWSA-N 1 0 248.370 2.061 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1C#N ZINC000700692594 712003546 /nfs/dbraw/zinc/00/35/46/712003546.db2.gz WFRZWEJTYLTQRA-GXTWGEPZSA-N 1 0 212.296 2.461 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000701708556 712026802 /nfs/dbraw/zinc/02/68/02/712026802.db2.gz GKZWWEPZPBRSAZ-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO N#Cc1ccc([C@@H](O)CN2CCC[C@H](F)C2)cc1 ZINC000701702590 712028013 /nfs/dbraw/zinc/02/80/13/712028013.db2.gz OBQDQRSAOXOZAM-KBPBESRZSA-N 1 0 248.301 2.026 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C)c(C#N)c1)C1CC1 ZINC000701843909 712031402 /nfs/dbraw/zinc/03/14/02/712031402.db2.gz BBNHUKYDWFOSRU-OAHLLOKOSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[NH2+]C2CSC2)cc1C#N ZINC000701884238 712031855 /nfs/dbraw/zinc/03/18/55/712031855.db2.gz OESSNXMLWVGQNN-UHFFFAOYSA-N 1 0 218.325 2.072 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C1CCN(OC)CC1 ZINC000701907852 712031896 /nfs/dbraw/zinc/03/18/96/712031896.db2.gz IVTTZLMWHKKCTR-UHFFFAOYSA-N 1 0 226.364 2.204 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2ccoc2)C1 ZINC001034103553 712040340 /nfs/dbraw/zinc/04/03/40/712040340.db2.gz CKNGBIDNOJQUGR-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO CCCCCCCC[N@@H+]1CCOC[C@@H]1CCO ZINC000702197779 712040767 /nfs/dbraw/zinc/04/07/67/712040767.db2.gz RRXWFNICESRFPE-AWEZNQCLSA-N 1 0 243.391 2.430 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@](C)(CC)OC)C(C)(C)C ZINC000702227129 712042886 /nfs/dbraw/zinc/04/28/86/712042886.db2.gz IFXCADNTRUCBCL-DGCLKSJQSA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(OC)ns1)C(C)(C)C ZINC000702294742 712043349 /nfs/dbraw/zinc/04/33/49/712043349.db2.gz NWNFGCGFUPWLFK-SNVBAGLBSA-N 1 0 238.356 2.289 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccns1)C(C)(C)C ZINC000702308348 712043907 /nfs/dbraw/zinc/04/39/07/712043907.db2.gz XRCNJYKXPDAUJX-SNVBAGLBSA-N 1 0 208.330 2.281 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702340154 712048089 /nfs/dbraw/zinc/04/80/89/712048089.db2.gz XGZJFXHVHRPDIJ-JTQLQIEISA-N 1 0 217.740 2.329 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C)(O)CC1)C(C)(C)C ZINC000703024535 712065279 /nfs/dbraw/zinc/06/52/79/712065279.db2.gz HWTHFERRSCODRD-LXVYMNJGSA-N 1 0 223.360 2.318 20 30 BEEDRO CC1(O)CCC([NH2+]CC#Cc2ccccc2)CC1 ZINC000703559907 712079228 /nfs/dbraw/zinc/07/92/28/712079228.db2.gz DRPLLFWMHLKLDT-UHFFFAOYSA-N 1 0 243.350 2.321 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C/C=C(/C)C(=O)OC)C1 ZINC000703689918 712083810 /nfs/dbraw/zinc/08/38/10/712083810.db2.gz JOVILJHAHMZTHH-DSDFTUOUSA-N 1 0 223.316 2.004 20 30 BEEDRO C=CC[C@@H]1CCCN(c2cc[nH+]cc2CO)C1 ZINC000703699792 712084439 /nfs/dbraw/zinc/08/44/39/712084439.db2.gz YGVJFKSSIJSHPK-GFCCVEGCSA-N 1 0 232.327 2.366 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000703748984 712085378 /nfs/dbraw/zinc/08/53/78/712085378.db2.gz UBFHLLXEVKLZPH-KGLIPLIRSA-N 1 0 242.407 2.313 20 30 BEEDRO COC1CC(C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000704232309 712101822 /nfs/dbraw/zinc/10/18/22/712101822.db2.gz HYFCZLSHGPPNEN-PNESKVBLSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)C)C[C@H]1C ZINC001035910216 712148680 /nfs/dbraw/zinc/14/86/80/712148680.db2.gz SUSNWJDDXGRLKX-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2csc(C)c2)CC1 ZINC000708121532 712182736 /nfs/dbraw/zinc/18/27/36/712182736.db2.gz DVTSXICTLXKMHW-UHFFFAOYSA-N 1 0 235.352 2.017 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000708933127 712203376 /nfs/dbraw/zinc/20/33/76/712203376.db2.gz XLKATCMQAOLIFX-UTUOFQBUSA-N 1 0 224.348 2.329 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000708583254 712214240 /nfs/dbraw/zinc/21/42/40/712214240.db2.gz HLIFHEKJOIQRIT-HUUCEWRRSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@@H](CCC#N)N1CCC(C)([NH+](C)C)CC1 ZINC000709922838 712233671 /nfs/dbraw/zinc/23/36/71/712233671.db2.gz JZQSMCSTCKOGAS-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000710010842 712240193 /nfs/dbraw/zinc/24/01/93/712240193.db2.gz SNICLLJWHQTTKI-IJLUTSLNSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2CN(C(=O)C=C(C)C)CC[C@@H]21 ZINC001036628191 712264638 /nfs/dbraw/zinc/26/46/38/712264638.db2.gz XMUOKWGSEJNEGY-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C/C)CC[C@H]21 ZINC001036685435 712295599 /nfs/dbraw/zinc/29/55/99/712295599.db2.gz XQXWDNCVCHXVQE-KDHQJITESA-N 1 0 248.370 2.061 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H](CF)C2)CC1 ZINC000711414658 712298690 /nfs/dbraw/zinc/29/86/90/712298690.db2.gz UTJHKKRJWAEPQH-NSHDSACASA-N 1 0 210.296 2.362 20 30 BEEDRO COc1cc(C[N@@H+]2CC[C@H](CF)C2)ccc1C#N ZINC000711434989 712300063 /nfs/dbraw/zinc/30/00/63/712300063.db2.gz KYZUKYJEUSOPCP-GFCCVEGCSA-N 1 0 248.301 2.358 20 30 BEEDRO N#Cc1cccc(OCC[N@H+]2CC[C@H](CF)C2)c1 ZINC000711434734 712300157 /nfs/dbraw/zinc/30/01/57/712300157.db2.gz JQHUXYFHBCWUJK-CYBMUJFWSA-N 1 0 248.301 2.228 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CF)C2)c1F ZINC000711435812 712300215 /nfs/dbraw/zinc/30/02/15/712300215.db2.gz PWJAMMSAWLSJSK-SNVBAGLBSA-N 1 0 236.265 2.489 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)o1 ZINC000711484945 712306430 /nfs/dbraw/zinc/30/64/30/712306430.db2.gz PQLPHJODCZQCPH-CYBMUJFWSA-N 1 0 246.310 2.343 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1nccn1C1CC1 ZINC000711782822 712329354 /nfs/dbraw/zinc/32/93/54/712329354.db2.gz JILFWPRIYQYXJC-JTQLQIEISA-N 1 0 205.305 2.272 20 30 BEEDRO C=CCCC[NH2+]Cc1nccn1C1CC1 ZINC000711788341 712331232 /nfs/dbraw/zinc/33/12/32/712331232.db2.gz XFTCQNXLOMWHHO-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO N#CCCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711831305 712333460 /nfs/dbraw/zinc/33/34/60/712333460.db2.gz CMBJMTONSWAWCA-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711848736 712335255 /nfs/dbraw/zinc/33/52/55/712335255.db2.gz VSWPKXAELQSRAS-ZIAGYGMSSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)C)C1 ZINC001080825025 712353834 /nfs/dbraw/zinc/35/38/34/712353834.db2.gz IRPGXIHHPXVGER-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CCC[C@H](C[NH2+]CC#Cc1ccccc1)OC ZINC000378780338 712360734 /nfs/dbraw/zinc/36/07/34/712360734.db2.gz FOGHTRIQNVJNKW-OAHLLOKOSA-N 1 0 231.339 2.443 20 30 BEEDRO C=C(Br)C[NH2+]CC(C)(C)COC ZINC000379324123 712374045 /nfs/dbraw/zinc/37/40/45/712374045.db2.gz WFVAIZUCZYNVFA-UHFFFAOYSA-N 1 0 236.153 2.157 20 30 BEEDRO C=C(Br)C[NH2+]C(C)(C)COCC ZINC000382365760 712396614 /nfs/dbraw/zinc/39/66/14/712396614.db2.gz BNHRXXVQOXXNPT-UHFFFAOYSA-N 1 0 236.153 2.300 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccccc2)C[N@@H+]1C ZINC000761794978 712410995 /nfs/dbraw/zinc/41/09/95/712410995.db2.gz UEZVTRNAUYCELI-SNVBAGLBSA-N 1 0 203.289 2.179 20 30 BEEDRO C=CCCCCCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000390484227 712419006 /nfs/dbraw/zinc/41/90/06/712419006.db2.gz MOYDAIFNMOSQFO-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCN1C ZINC000712618239 712438665 /nfs/dbraw/zinc/43/86/65/712438665.db2.gz WACQXBSKSGNAFR-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000713055517 712451973 /nfs/dbraw/zinc/45/19/73/712451973.db2.gz ABRKKVPDFCLVMW-YNEHKIRRSA-N 1 0 223.360 2.175 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000714484613 712491929 /nfs/dbraw/zinc/49/19/29/712491929.db2.gz NYPYLBNKMOHIDH-BJHJDKERSA-N 1 0 248.301 2.212 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000714658063 712495369 /nfs/dbraw/zinc/49/53/69/712495369.db2.gz XLKATCMQAOLIFX-SRVKXCTJSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H]([NH2+]CCOC1CC1)c1cccc(C#N)c1 ZINC000715027181 712504831 /nfs/dbraw/zinc/50/48/31/712504831.db2.gz PFNAMNLQEHGAIE-NSHDSACASA-N 1 0 230.311 2.388 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000715051202 712505091 /nfs/dbraw/zinc/50/50/91/712505091.db2.gz BDCZJFDXJQJTFM-HTQZYQBOSA-N 1 0 211.334 2.462 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715443660 712519211 /nfs/dbraw/zinc/51/92/11/712519211.db2.gz WSOUHQDSKLTUET-HZSPNIEDSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CC12CC2 ZINC000715345272 712521120 /nfs/dbraw/zinc/52/11/20/712521120.db2.gz UKLNZVCPPCGJDE-CQSZACIVSA-N 1 0 227.307 2.341 20 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C[C@H]([NH2+]CCCC#N)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815614733 712589222 /nfs/dbraw/zinc/58/92/22/712589222.db2.gz AFOBRFGRAWSDHN-VIFPVBQESA-N 1 0 248.286 2.131 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000826861609 712592507 /nfs/dbraw/zinc/59/25/07/712592507.db2.gz HFLOEIXCEGOZKG-QWHCGFSZSA-N 1 0 220.316 2.305 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CC1CCC1 ZINC000716928739 712596736 /nfs/dbraw/zinc/59/67/36/712596736.db2.gz NFKWRZWMSMGPLP-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000716930292 712596875 /nfs/dbraw/zinc/59/68/75/712596875.db2.gz ZTYDPNMBHWCJBP-REWJHTLYSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000716931865 712597071 /nfs/dbraw/zinc/59/70/71/712597071.db2.gz BHJLTFXQWFRJKA-HNNXBMFYSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc2cc[nH]c21 ZINC000716935467 712597494 /nfs/dbraw/zinc/59/74/94/712597494.db2.gz OCKYZYJSCNBCAM-CQSZACIVSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc2[nH]ccc21 ZINC000716936095 712597520 /nfs/dbraw/zinc/59/75/20/712597520.db2.gz QZUFMNAYSXMDAS-ZDUSSCGKSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(CC)c1O ZINC000716959301 712600575 /nfs/dbraw/zinc/60/05/75/712600575.db2.gz XJNCNTOEOHMCNI-AWEZNQCLSA-N 1 0 247.338 2.083 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000848923696 712610215 /nfs/dbraw/zinc/61/02/15/712610215.db2.gz IOGISDSNHMCXNZ-LBPRGKRZSA-N 1 0 233.311 2.271 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](CC(C)C)C1 ZINC000851795142 712612338 /nfs/dbraw/zinc/61/23/38/712612338.db2.gz QKOLGQKDIUUZSR-CYBMUJFWSA-N 1 0 209.333 2.004 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)CC(C)(C)C ZINC000379871088 712619507 /nfs/dbraw/zinc/61/95/07/712619507.db2.gz QNJCZGREVCNJFN-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CCNC(NCC1=CCCCC1)=[NH+]CC ZINC000379959345 712636923 /nfs/dbraw/zinc/63/69/23/712636923.db2.gz KMMUWHYDIYFRQB-UHFFFAOYSA-N 1 0 209.337 2.062 20 30 BEEDRO C=CC[C@H](C)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717157635 712638125 /nfs/dbraw/zinc/63/81/25/712638125.db2.gz BYLVBPQLCYBPFS-IVZWLZJFSA-N 1 0 236.281 2.163 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Nc2ccnc(Cl)c2)C1 ZINC000884612713 712647760 /nfs/dbraw/zinc/64/77/60/712647760.db2.gz RWVVYPIKPKWFIV-GFCCVEGCSA-N 1 0 249.745 2.245 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Nc2ccc(Cl)cn2)C1 ZINC000884612692 712648085 /nfs/dbraw/zinc/64/80/85/712648085.db2.gz RNMFVOJKDKRRIZ-GFCCVEGCSA-N 1 0 249.745 2.245 20 30 BEEDRO C=CCC1(O)CC[NH+](CCc2cccnc2)CC1 ZINC000717424282 712658171 /nfs/dbraw/zinc/65/81/71/712658171.db2.gz NZGDGPPVRCENPN-UHFFFAOYSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCC1(O)CC[NH+](C2CCCC2)CC1 ZINC000717494244 712659906 /nfs/dbraw/zinc/65/99/06/712659906.db2.gz JHTPVMJCRXVLRB-UHFFFAOYSA-N 1 0 209.333 2.332 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000717740138 712668655 /nfs/dbraw/zinc/66/86/55/712668655.db2.gz NIRAKDNCXNGCIB-HNNXBMFYSA-N 1 0 229.323 2.038 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(Cl)cs1 ZINC000717805740 712680355 /nfs/dbraw/zinc/68/03/55/712680355.db2.gz QXLPWLZGPUPRIH-JTQLQIEISA-N 1 0 243.759 2.265 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](C#N)C1 ZINC000932153966 712715347 /nfs/dbraw/zinc/71/53/47/712715347.db2.gz CNDAGMSMPTVAOR-LSDHHAIUSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000037681341 712738036 /nfs/dbraw/zinc/73/80/36/712738036.db2.gz RCICRIHOYOBFJD-DTWKUNHWSA-N 1 0 234.137 2.052 20 30 BEEDRO Cc1cc(C#N)ccc1N1CC[NH+](C(C)C)CC1 ZINC000037732953 712753310 /nfs/dbraw/zinc/75/33/10/712753310.db2.gz BNVXMZNOIVRSFI-UHFFFAOYSA-N 1 0 243.354 2.397 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718761896 712781238 /nfs/dbraw/zinc/78/12/38/712781238.db2.gz UWFJOQADFXMBPZ-STQMWFEESA-N 1 0 241.400 2.290 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718842162 712785450 /nfs/dbraw/zinc/78/54/50/712785450.db2.gz MSRKMIKHVHMRND-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719643622 712819263 /nfs/dbraw/zinc/81/92/63/712819263.db2.gz RJPSMVAQCGKFLN-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000719706503 712823538 /nfs/dbraw/zinc/82/35/38/712823538.db2.gz JNWKDLPPBKTGLE-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361728 712835301 /nfs/dbraw/zinc/83/53/01/712835301.db2.gz COIYPLSZTQXWSU-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000720458376 712844459 /nfs/dbraw/zinc/84/44/59/712844459.db2.gz KSHKHJRMADSXFX-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)cc1C#N ZINC000720475047 712845520 /nfs/dbraw/zinc/84/55/20/712845520.db2.gz QDFCAMPDVLZNOR-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000720595422 712856421 /nfs/dbraw/zinc/85/64/21/712856421.db2.gz LAUNGIMZDFTFIL-NSHDSACASA-N 1 0 222.336 2.212 20 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C=CC[N@@H+](C)Cc1ccc(C(=O)OCC)cc1 ZINC001142599129 961521645 /nfs/dbraw/zinc/52/16/45/961521645.db2.gz BKJPOTTVOWYABQ-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCCC)C1 ZINC001481701263 961593080 /nfs/dbraw/zinc/59/30/80/961593080.db2.gz HYUMZEOTUFLFCH-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1C[C@@H]1C ZINC001268430986 961771351 /nfs/dbraw/zinc/77/13/51/961771351.db2.gz AGNKLRNKKLYWCE-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)CNC(=O)/C(C)=C\C ZINC001482092804 962013415 /nfs/dbraw/zinc/01/34/15/962013415.db2.gz RVXNDAFXCCHLRQ-UHJIQDEKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[NH2+]C[C@@H](C)CC ZINC001268639144 962225542 /nfs/dbraw/zinc/22/55/42/962225542.db2.gz GEDHTQZMCHIKJW-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)/C(C)=C\CC ZINC001268680263 962274875 /nfs/dbraw/zinc/27/48/75/962274875.db2.gz IBRCRJULXHOQKJ-WDDYJBPVSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)C1CCC1 ZINC001268736284 962330089 /nfs/dbraw/zinc/33/00/89/962330089.db2.gz QWWUEGMBJPXSBF-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)C(C)C ZINC001269371980 962636249 /nfs/dbraw/zinc/63/62/49/962636249.db2.gz QSPFQSXCXQYVKY-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CC(C)(C)C ZINC001154662674 962828898 /nfs/dbraw/zinc/82/88/98/962828898.db2.gz VXNVAWSHKAVJEM-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1CC1(C)C ZINC001156683972 963436975 /nfs/dbraw/zinc/43/69/75/963436975.db2.gz KBUYYWNWEVSVKN-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@H]1C[C@H]([NH+]2CCC(CC#N)CC2)CCO1 ZINC001168127887 963802109 /nfs/dbraw/zinc/80/21/09/963802109.db2.gz JTGGCUCYXYKTRO-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC1(C)CCCC1 ZINC001126664017 963911758 /nfs/dbraw/zinc/91/17/58/963911758.db2.gz QFZZBBWMPCWDPA-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO N#CCc1cccnc1NC[C@H]1C[C@H](F)C1 ZINC001168235064 964024472 /nfs/dbraw/zinc/02/44/72/964024472.db2.gz WIIJVBJZRIQBBL-HOMQSWHASA-N 1 0 219.263 2.308 20 30 BEEDRO Cc1cc(Cl)nc(NCC[C@@H](C)[NH3+])c1C#N ZINC001159774591 964192214 /nfs/dbraw/zinc/19/22/14/964192214.db2.gz FIQBFJWSOXQXKD-MRVPVSSYSA-N 1 0 238.722 2.064 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)CC(C)(C)C ZINC001482909972 964234400 /nfs/dbraw/zinc/23/44/00/964234400.db2.gz HQRFWNPWPLWKGB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CC[C@H](CC#N)Nc1cc(N(C)C)cc[nH+]1 ZINC001161049840 964503514 /nfs/dbraw/zinc/50/35/14/964503514.db2.gz ZKIXRDFGIVHLQM-SNVBAGLBSA-N 1 0 218.304 2.252 20 30 BEEDRO Cc1ccnc(C#N)c1NCCCC[NH+](C)C ZINC001161736335 964724345 /nfs/dbraw/zinc/72/43/45/964724345.db2.gz PONWPFICJIXXLZ-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1C=CCC1 ZINC001483207499 964821750 /nfs/dbraw/zinc/82/17/50/964821750.db2.gz RSBASGAMEPAJLW-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1(CC)CC1 ZINC001507121974 964953904 /nfs/dbraw/zinc/95/39/04/964953904.db2.gz MQSMCLILGSWPMI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC ZINC001483430317 965009614 /nfs/dbraw/zinc/00/96/14/965009614.db2.gz MDWOAJCISIWTRN-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCC[C@@H]1OC ZINC000696074086 965232473 /nfs/dbraw/zinc/23/24/73/965232473.db2.gz XKENXYIHNKEIQV-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](CC[NH2+]C(C)C)C1 ZINC001272375523 965557296 /nfs/dbraw/zinc/55/72/96/965557296.db2.gz FWRXCOBLSOUSSB-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001164178250 965779471 /nfs/dbraw/zinc/77/94/71/965779471.db2.gz MYFWGXLZDYEVMG-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(C)C ZINC001164234361 965809325 /nfs/dbraw/zinc/80/93/25/965809325.db2.gz WDKLRAJTFDMFGH-CHWSQXEVSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)CC)C1 ZINC001484079196 966427093 /nfs/dbraw/zinc/42/70/93/966427093.db2.gz CWPSEPFLCDNXJE-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)/C(C)=C/C ZINC001484737547 966513431 /nfs/dbraw/zinc/51/34/31/966513431.db2.gz IXLKBAQFZXMCCQ-NTUHNPAUSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC(=C)C ZINC001485153164 966553200 /nfs/dbraw/zinc/55/32/00/966553200.db2.gz PQVJMQBRXRKNNM-RYUDHWBXSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@@H+](C)CC(C)C ZINC001485284856 966572754 /nfs/dbraw/zinc/57/27/54/966572754.db2.gz UDTVFKZYJCYMET-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCC(=O)N1CCC([N@@H+](C)CC)CC1 ZINC001485762510 966632958 /nfs/dbraw/zinc/63/29/58/966632958.db2.gz ADLHTDQTFGKNOO-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[NH+](CCOCC)CCOCC ZINC001209160062 1165787722 /nfs/dbraw/zinc/78/77/22/1165787722.db2.gz BCMQGAJFMDKPJR-UHFFFAOYSA-N 1 0 229.364 2.328 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC(C)C ZINC001690974751 1165792777 /nfs/dbraw/zinc/79/27/77/1165792777.db2.gz FTLPXXCEQHQKDK-CQSZACIVSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001690970664 1165792874 /nfs/dbraw/zinc/79/28/74/1165792874.db2.gz IFNFQNFYWPKRRX-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001690981686 1165801247 /nfs/dbraw/zinc/80/12/47/1165801247.db2.gz ALABMNQWXUIYRI-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H]1CCC[C@H]1C ZINC001127929123 966864335 /nfs/dbraw/zinc/86/43/35/966864335.db2.gz MGNHNMDFYBBFSM-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)[C@H](C)CC)CC1 ZINC001204528508 967030506 /nfs/dbraw/zinc/03/05/06/967030506.db2.gz ZFOGOLYNBZNVTI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@H+]1CC(C)(C)CC[C@@H]1CNC(=O)CC ZINC001098844271 967048336 /nfs/dbraw/zinc/04/83/36/967048336.db2.gz DZPCDWHRATYJDY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCCCC(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001772513305 1165817442 /nfs/dbraw/zinc/81/74/42/1165817442.db2.gz SMQCAKWGRNRTNL-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)C(F)F ZINC001691004614 1165819510 /nfs/dbraw/zinc/81/95/10/1165819510.db2.gz MWZLBBWNLFTKAX-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)CC1CCC1 ZINC001485862499 967296180 /nfs/dbraw/zinc/29/61/80/967296180.db2.gz UBBIEKKNBLGTNW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccc(F)cc1C#N ZINC000304574730 1165841820 /nfs/dbraw/zinc/84/18/20/1165841820.db2.gz RPCOAZHHBVXANC-SECBINFHSA-N 1 0 222.263 2.026 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)C1CC=CC1)C1CC1 ZINC001670454371 1165909481 /nfs/dbraw/zinc/90/94/81/1165909481.db2.gz BGURDWDFITZIJD-AWEZNQCLSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC(=O)NC[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001691770843 1165923192 /nfs/dbraw/zinc/92/31/92/1165923192.db2.gz LGQZCAWVXFJBOR-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@H](C#Cc1ccccc1)OCC[NH+](C)C ZINC001206287694 968190591 /nfs/dbraw/zinc/19/05/91/968190591.db2.gz TXLHEQUJVBRMGZ-OAHLLOKOSA-N 1 0 231.339 2.395 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CCCCC ZINC001670605027 1165969511 /nfs/dbraw/zinc/96/95/11/1165969511.db2.gz FJOWRXVDEZWSDK-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC(C)C1(O)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001655877851 1165972492 /nfs/dbraw/zinc/97/24/92/1165972492.db2.gz VRRVVWVCFXJDMG-STQMWFEESA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(N(C)C)s1 ZINC000164131494 968507862 /nfs/dbraw/zinc/50/78/62/968507862.db2.gz ZHXCYWPXTNASAZ-SECBINFHSA-N 1 0 225.361 2.263 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCCN(C(C)=O)C1 ZINC001206984398 968524895 /nfs/dbraw/zinc/52/48/95/968524895.db2.gz PGICHQTXGQVVAI-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)[C@H](C)C1CC1 ZINC001266669018 1166020227 /nfs/dbraw/zinc/02/02/27/1166020227.db2.gz KZKJYESMHFNEBI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO Fc1cncc(C[NH+]2CCC(S)CC2)c1 ZINC001207023355 968557071 /nfs/dbraw/zinc/55/70/71/968557071.db2.gz DRIXNRAEKQCATD-UHFFFAOYSA-N 1 0 226.320 2.115 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Nc2cc(F)cc(C#N)c2)C1 ZINC000227609220 1166027222 /nfs/dbraw/zinc/02/72/22/1166027222.db2.gz NHSILKUJNHJEFY-GFCCVEGCSA-N 1 0 233.290 2.203 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]C1(CC#N)CCCC1 ZINC001252120274 968604686 /nfs/dbraw/zinc/60/46/86/968604686.db2.gz RMORFTHASSQABC-GFCCVEGCSA-N 1 0 224.348 2.354 20 30 BEEDRO C#CC1([NH2+]C[C@H](O)CCCC)CCCCC1 ZINC001252122808 968606318 /nfs/dbraw/zinc/60/63/18/968606318.db2.gz MMSWXUFGINFDKU-CYBMUJFWSA-N 1 0 223.360 2.463 20 30 BEEDRO C#CCCC1(CC[NH2+]C[C@H](O)CCCC)N=N1 ZINC001252120154 968607173 /nfs/dbraw/zinc/60/71/73/968607173.db2.gz OJKSJRFGEZSHMA-GFCCVEGCSA-N 1 0 237.347 2.093 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H](O)CC ZINC001252135485 968610047 /nfs/dbraw/zinc/61/00/47/968610047.db2.gz DCMQSDIXZUQWFY-UONOGXRCSA-N 1 0 245.407 2.458 20 30 BEEDRO C=CC[N@@H+](CC(OC)OC)C1CCCCC1 ZINC001207256167 968694993 /nfs/dbraw/zinc/69/49/93/968694993.db2.gz SLHAXWSONPWDQM-UHFFFAOYSA-N 1 0 227.348 2.426 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C1CC(C)C1 ZINC001125509417 1166073510 /nfs/dbraw/zinc/07/35/10/1166073510.db2.gz SUZJMZYPPFJMHL-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccccc1C ZINC001252549698 968786437 /nfs/dbraw/zinc/78/64/37/968786437.db2.gz HCIXXIBOYRXMGG-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO Cc1cccnc1C[NH2+]CC1(CC#N)CC1 ZINC000083854320 1166123035 /nfs/dbraw/zinc/12/30/35/1166123035.db2.gz DQFAROBSIVQZIT-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179149 968820180 /nfs/dbraw/zinc/82/01/80/968820180.db2.gz KIKWVLCQZRXJAG-NEPJUHHUSA-N 1 0 226.364 2.311 20 30 BEEDRO Cc1c[nH]c(=O)c(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC001207729525 968867122 /nfs/dbraw/zinc/86/71/22/968867122.db2.gz PIEWVHWDYHQANQ-JTQLQIEISA-N 1 0 233.315 2.125 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001207777392 968877239 /nfs/dbraw/zinc/87/72/39/968877239.db2.gz OXSBFMXAKAGTGO-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCC[N@H+](CCC#N)CC1(C)COC1 ZINC001207794208 968884465 /nfs/dbraw/zinc/88/44/65/968884465.db2.gz BDKRBEQCELIXAV-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCC[C@H](C)[N@H+](CCC)CCNC(C)=O ZINC001691173787 1166153737 /nfs/dbraw/zinc/15/37/37/1166153737.db2.gz LHMVNMDCAFDGAG-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1CCC[C@H](C(=O)OCC)C1 ZINC000129168531 1166157327 /nfs/dbraw/zinc/15/73/27/1166157327.db2.gz JBQWWZFKBKTWGW-RYUDHWBXSA-N 1 0 237.343 2.110 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001700386968 1166174759 /nfs/dbraw/zinc/17/47/59/1166174759.db2.gz WEIVAGSCDIQBAE-ZJUUUORDSA-N 1 0 244.766 2.022 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC(C)C ZINC001266918862 1166179143 /nfs/dbraw/zinc/17/91/43/1166179143.db2.gz IHRPPRNJFIEUQJ-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)C[C@H](C)CC ZINC001691303191 1166191675 /nfs/dbraw/zinc/19/16/75/1166191675.db2.gz NHHNAUDEPWYQSP-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCOCC ZINC001253227216 969116819 /nfs/dbraw/zinc/11/68/19/969116819.db2.gz FJAVUDXPIUUFHP-CQSZACIVSA-N 1 0 243.391 2.500 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC1COC1 ZINC001253227394 969116080 /nfs/dbraw/zinc/11/60/80/969116080.db2.gz IITJKSMUGRBMEY-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCS ZINC001253246881 969121144 /nfs/dbraw/zinc/12/11/44/969121144.db2.gz DCBOSEOPRZPMDO-GFCCVEGCSA-N 1 0 231.405 2.393 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@H](C)OC ZINC001253251204 969121939 /nfs/dbraw/zinc/12/19/39/969121939.db2.gz HZHIGWUFPKOARB-KBPBESRZSA-N 1 0 243.391 2.498 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H](O)CCCCCCC=C ZINC001253250518 969123275 /nfs/dbraw/zinc/12/32/75/969123275.db2.gz BCDNNDVVFOZPBJ-UONOGXRCSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)CCCCC)CC1 ZINC001253535898 969204785 /nfs/dbraw/zinc/20/47/85/969204785.db2.gz BQNCTUQVLBETMT-CQSZACIVSA-N 1 0 223.360 2.273 20 30 BEEDRO N#Cc1cncc(C[N@H+]2CCC[C@H](CF)C2)c1 ZINC000721517684 1166278227 /nfs/dbraw/zinc/27/82/27/1166278227.db2.gz RVGYGCRGJYLTCQ-LLVKDONJSA-N 1 0 233.290 2.135 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000724558828 1166286344 /nfs/dbraw/zinc/28/63/44/1166286344.db2.gz FAKMKUCGSXVMNS-UHFFFAOYSA-N 1 0 219.332 2.256 20 30 BEEDRO C=C[C@@H](O)CNc1cc[nH+]c(C(C)(C)C)c1 ZINC001253573741 969248105 /nfs/dbraw/zinc/24/81/05/969248105.db2.gz RNBOAAVSELQARI-LLVKDONJSA-N 1 0 220.316 2.338 20 30 BEEDRO N#Cc1cc2[nH]ccc2c(-n2cccc2C[NH3+])c1 ZINC001167595488 1166295617 /nfs/dbraw/zinc/29/56/17/1166295617.db2.gz AFPZRRBLNNMHLK-UHFFFAOYSA-N 1 0 236.278 2.289 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1cccc(OC)c1 ZINC001253585105 969265758 /nfs/dbraw/zinc/26/57/58/969265758.db2.gz VBLHYRWACBNIAC-ZDUSSCGKSA-N 1 0 235.327 2.064 20 30 BEEDRO [NH3+]Cc1cccn1-c1ccc2c(c1)CC/C2=N/O ZINC001167595664 1166297016 /nfs/dbraw/zinc/29/70/16/1166297016.db2.gz JXNNGRKXLYSBCJ-PEZBUJJGSA-N 1 0 241.294 2.061 20 30 BEEDRO O[C@@H]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000227747754 1166308141 /nfs/dbraw/zinc/30/81/41/1166308141.db2.gz FKOQKJXZCDDFSL-JKSUJKDBSA-N 1 0 243.350 2.179 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1sccc1Cl ZINC001253607696 969305138 /nfs/dbraw/zinc/30/51/38/969305138.db2.gz CYRSTECPPGHCEL-SSDOTTSWSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C(Cl)CN[C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000693764638 1166353168 /nfs/dbraw/zinc/35/31/68/1166353168.db2.gz UUVQRQIRXYDIMS-OUAUKWLOSA-N 1 0 228.767 2.105 20 30 BEEDRO C=CCCCC[N@@H+](CCC(=O)OC)C1CC1 ZINC001209207111 969393844 /nfs/dbraw/zinc/39/38/44/969393844.db2.gz MFNWKOXSYYRQBW-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C/C ZINC001754479107 1166380222 /nfs/dbraw/zinc/38/02/22/1166380222.db2.gz UGEFBPMCAGYSIZ-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO COCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209218657 969406081 /nfs/dbraw/zinc/40/60/81/969406081.db2.gz KQPLEIUXPVTJIK-XYYAHUGASA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)COc1cc(C)cc(C)c1 ZINC000158199902 1166399333 /nfs/dbraw/zinc/39/93/33/1166399333.db2.gz NMSAQTAGPGNHNW-UONOGXRCSA-N 1 0 249.354 2.207 20 30 BEEDRO COC1CCC(C[N@@H+]2CC[C@@H](C#N)C2)CC1 ZINC001209395776 969461167 /nfs/dbraw/zinc/46/11/67/969461167.db2.gz LZUONMFFOIPBPD-CPCZMJQVSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCCCC[NH+]1CC(N2CC(F)C2)C1 ZINC001209423168 969491868 /nfs/dbraw/zinc/49/18/68/969491868.db2.gz HLXLWKHUQMSFCN-UHFFFAOYSA-N 1 0 226.339 2.071 20 30 BEEDRO C=CCCCCCC[N@@H+](C)CC(=O)NCC ZINC001209430929 969499971 /nfs/dbraw/zinc/49/99/71/969499971.db2.gz DRSXIEYPECCOET-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CCC[C@](C)(C#N)NC1CC[NH+](CC)CC1 ZINC001169241281 969531486 /nfs/dbraw/zinc/53/14/86/969531486.db2.gz SCDYRDJHNMXWCX-CYBMUJFWSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C[C@H](COC)[NH2+]C1CCC2(CC2)CC1 ZINC000308937079 1166437873 /nfs/dbraw/zinc/43/78/73/1166437873.db2.gz LEAQTJVIAJTONH-LLVKDONJSA-N 1 0 209.333 2.500 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CCO)C1CCCC1 ZINC000725063590 1166443064 /nfs/dbraw/zinc/44/30/64/1166443064.db2.gz AZJHRDFNMLMEBB-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725063487 1166443190 /nfs/dbraw/zinc/44/31/90/1166443190.db2.gz ABRFONXREWVTRE-NSHDSACASA-N 1 0 217.740 2.270 20 30 BEEDRO CC1(C)COCC[N@@H+]1C1CCC(C#N)CC1 ZINC000261042551 1166493177 /nfs/dbraw/zinc/49/31/77/1166493177.db2.gz HYRSCUJATVOQSY-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCS ZINC001254532244 969730041 /nfs/dbraw/zinc/73/00/41/969730041.db2.gz LYOHPXAERYKXOF-SECBINFHSA-N 1 0 240.328 2.045 20 30 BEEDRO C[N@H+](C1CC(F)(F)C1)[C@H]1CC[C@@H](C#N)C1 ZINC001254660484 969772092 /nfs/dbraw/zinc/77/20/92/969772092.db2.gz IRILFGPFBXVEHN-BDAKNGLRSA-N 1 0 214.259 2.408 20 30 BEEDRO CCOCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254671608 969778101 /nfs/dbraw/zinc/77/81/01/969778101.db2.gz SLCCKSACWAOWIZ-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1CC[N@H+]([C@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254678471 969783873 /nfs/dbraw/zinc/78/38/73/969783873.db2.gz FCXBRNOZOHXUCR-MROQNXINSA-N 1 0 222.332 2.178 20 30 BEEDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@H](C)C1 ZINC001254678478 969783060 /nfs/dbraw/zinc/78/30/60/969783060.db2.gz FCXBRNOZOHXUCR-YVECIDJPSA-N 1 0 222.332 2.178 20 30 BEEDRO N#CCCCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254923696 969821903 /nfs/dbraw/zinc/82/19/03/969821903.db2.gz FPGAAWMHIAWKDY-QWRGUYRKSA-N 1 0 220.316 2.028 20 30 BEEDRO C=CCCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254938247 969826948 /nfs/dbraw/zinc/82/69/48/969826948.db2.gz YNGYLCYXIHGJPS-GHMZBOCLSA-N 1 0 207.317 2.300 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC000724865953 1166536852 /nfs/dbraw/zinc/53/68/52/1166536852.db2.gz XYJHKIXUPAVEMA-CRWXNKLISA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC(C)(C)N(O)C1(C)C ZINC001255156608 969967335 /nfs/dbraw/zinc/96/73/35/969967335.db2.gz MBLWGMQLYNAJPH-MNOVXSKESA-N 1 0 239.363 2.289 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC(C)(C)C[C@]1(C)CO ZINC001255167316 969981483 /nfs/dbraw/zinc/98/14/83/969981483.db2.gz YHCUMMCJLFVFHY-WCQYABFASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001752394325 1166569698 /nfs/dbraw/zinc/56/96/98/1166569698.db2.gz ASKFCEDLOFPDBW-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[C@H](CC#N)n1nc(C)c(CC[NH2+]C)c1C ZINC001255175001 969989857 /nfs/dbraw/zinc/98/98/57/969989857.db2.gz LKJYTJJILJOIKT-GFCCVEGCSA-N 1 0 234.347 2.127 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)/C(C)=C/C)CC1 ZINC001670764461 1166621801 /nfs/dbraw/zinc/62/18/01/1166621801.db2.gz QLSFWJSFYJFBTA-LFYBBSHMSA-N 1 0 236.359 2.157 20 30 BEEDRO C#CC1CC[NH+](C2CCC(OC)CC2)CC1 ZINC001255464836 970189238 /nfs/dbraw/zinc/18/92/38/970189238.db2.gz QJBJUDYIPNJMED-UHFFFAOYSA-N 1 0 221.344 2.289 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787488 1166684428 /nfs/dbraw/zinc/68/44/28/1166684428.db2.gz NROGRZFNEVAIDO-MNOVXSKESA-N 1 0 212.337 2.329 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787405 1166684451 /nfs/dbraw/zinc/68/44/51/1166684451.db2.gz MWKLFUGHBXIYOO-WDEREUQCSA-N 1 0 212.337 2.329 20 30 BEEDRO COC[C@H](C)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001255559765 970337911 /nfs/dbraw/zinc/33/79/11/970337911.db2.gz ICZVJXQMNYCEEY-HIFPTAJRSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)CCC ZINC001699438352 1166720355 /nfs/dbraw/zinc/72/03/55/1166720355.db2.gz PZWORHPKKPJWNZ-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO CCCCCCC[C@H](C)N1CCO[C@H](C[NH3+])C1 ZINC000165473981 1166804918 /nfs/dbraw/zinc/80/49/18/1166804918.db2.gz DZEZJCHTDKDORT-UONOGXRCSA-N 1 0 242.407 2.395 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)CNC(C)=O ZINC001755288463 1166872733 /nfs/dbraw/zinc/87/27/33/1166872733.db2.gz VBLLGGAMIJWOJJ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CC[C@H]1C[C@@H]([N@H+](CC)CCC#N)CCO1 ZINC001170224730 970625202 /nfs/dbraw/zinc/62/52/02/970625202.db2.gz VLSQSWATIRIDDC-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)C(C)(C)CCC)C1 ZINC001481642967 1166883261 /nfs/dbraw/zinc/88/32/61/1166883261.db2.gz OZXMDCGDIYRISZ-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001170225861 970628781 /nfs/dbraw/zinc/62/87/81/970628781.db2.gz CSBIOIDCUSAYSW-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C[NH+]1CC(CNc2ccccc2CS)C1 ZINC001170256783 970641701 /nfs/dbraw/zinc/64/17/01/970641701.db2.gz WIYZNKQCLOCGGM-UHFFFAOYSA-N 1 0 222.357 2.090 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C1CC1 ZINC001753708469 1166912003 /nfs/dbraw/zinc/91/20/03/1166912003.db2.gz GVTJJVRIJFLASJ-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2cc(Cl)ccc2C#N)C1 ZINC000304474599 1166921290 /nfs/dbraw/zinc/92/12/90/1166921290.db2.gz GDGYZGDFARMRAI-LLVKDONJSA-N 1 0 236.702 2.295 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1cc(C)oc1C ZINC000381475699 1166936336 /nfs/dbraw/zinc/93/63/36/1166936336.db2.gz QNBVZOATSIBXQX-LLVKDONJSA-N 1 0 221.300 2.197 20 30 BEEDRO CC(C)(S)C[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173130317 975036833 /nfs/dbraw/zinc/03/68/33/975036833.db2.gz WDEIMJJPRSXPDH-MRVPVSSYSA-N 1 0 242.413 2.298 20 30 BEEDRO C=CCOC1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC001173322015 975269045 /nfs/dbraw/zinc/26/90/45/975269045.db2.gz VDJYXNFUSNSUAF-IYXRBSQSSA-N 1 0 239.359 2.221 20 30 BEEDRO C[C@H]1OCC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001173324483 975270794 /nfs/dbraw/zinc/27/07/94/975270794.db2.gz ODGOCFVGMMJHAG-IKWCTNDRSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC001332740002 975275106 /nfs/dbraw/zinc/27/51/06/975275106.db2.gz XPCIPMDDUYBEEA-CYBMUJFWSA-N 1 0 232.371 2.006 20 30 BEEDRO CO[C@@H](C)C1C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173336902 975283160 /nfs/dbraw/zinc/28/31/60/975283160.db2.gz QTKPGBVNIZCWQL-DCBWTQNWSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)C(=O)N(CC)CC ZINC000126802592 1167126371 /nfs/dbraw/zinc/12/63/71/1167126371.db2.gz WIGIXELUWRBMLT-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1CCCC1 ZINC001270869832 1167138904 /nfs/dbraw/zinc/13/89/04/1167138904.db2.gz FWIMQVKJVPEFDZ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)C1CCCC1 ZINC001270869833 1167139796 /nfs/dbraw/zinc/13/97/96/1167139796.db2.gz FWIMQVKJVPEFDZ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(C(=O)OC)cn1)C(C)C ZINC000383677097 1167149452 /nfs/dbraw/zinc/14/94/52/1167149452.db2.gz XURMWGKVDHFYCZ-UHFFFAOYSA-N 1 0 248.326 2.265 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+]CC(C)(C)S ZINC001173438888 975375163 /nfs/dbraw/zinc/37/51/63/975375163.db2.gz AKDKVQKYZUAJRT-JTQLQIEISA-N 1 0 247.404 2.406 20 30 BEEDRO CC[N@H+](CCC#N)[C@@H](C)CCCCC(=O)OC ZINC001173455858 975397300 /nfs/dbraw/zinc/39/73/00/975397300.db2.gz VQHGZOYLOTXDFR-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCCSCC1 ZINC001333323571 975658899 /nfs/dbraw/zinc/65/88/99/975658899.db2.gz WDYCVXHFWCGWGJ-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1ccncc1 ZINC000309011251 1167239859 /nfs/dbraw/zinc/23/98/59/1167239859.db2.gz RWTZEPZXDIMEPS-GFCCVEGCSA-N 1 0 202.301 2.016 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1sccc1OC ZINC000309030204 1167240700 /nfs/dbraw/zinc/24/07/00/1167240700.db2.gz DECHAZMRYZSARA-VIFPVBQESA-N 1 0 227.329 2.047 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H](C)CCCCC ZINC000309166302 1167261102 /nfs/dbraw/zinc/26/11/02/1167261102.db2.gz JDCOEGMMVVJIJI-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000309369694 1167295730 /nfs/dbraw/zinc/29/57/30/1167295730.db2.gz BVEWUPAELAQCMX-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C/C=C/c1ccccc1 ZINC000309421583 1167303578 /nfs/dbraw/zinc/30/35/78/1167303578.db2.gz DQSQLRBNGYMTFS-RNVIBTMRSA-N 1 0 217.312 2.490 20 30 BEEDRO CCOC(=O)CC[C@@H](C)[NH2+]CCCCC#N ZINC000309452563 1167309056 /nfs/dbraw/zinc/30/90/56/1167309056.db2.gz LNGKHPFWOGUGHJ-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1COC[C@H]1O ZINC000309612771 1167332322 /nfs/dbraw/zinc/33/23/22/1167332322.db2.gz ARCKMGIXVRHHON-YNEHKIRRSA-N 1 0 229.364 2.085 20 30 BEEDRO N#Cc1ccc(OC[C@H]2CCCC[NH2+]C2)cc1 ZINC000697053143 1167356072 /nfs/dbraw/zinc/35/60/72/1167356072.db2.gz SWDXPEKQHNANQR-ZDUSSCGKSA-N 1 0 230.311 2.327 20 30 BEEDRO N#Cc1ccccc1C[NH+]1CC2CC(C2)C1 ZINC000215200812 1167375384 /nfs/dbraw/zinc/37/53/84/1167375384.db2.gz FFHSFIFFXQHTME-UHFFFAOYSA-N 1 0 212.296 2.400 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC(C)C)[C@H]1C ZINC000985890315 1167380142 /nfs/dbraw/zinc/38/01/42/1167380142.db2.gz MQKASOIIZDUTRS-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C=C2CCC2)[C@H]1C ZINC001088518631 1167414926 /nfs/dbraw/zinc/41/49/26/1167414926.db2.gz PLBZYPGARIUGTM-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C=C(C)C ZINC001230682637 977293666 /nfs/dbraw/zinc/29/36/66/977293666.db2.gz WYNIIXYTESXKLV-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO CC#CC[NH2+]CCCNC(=O)CCCCCC ZINC001175203057 977308531 /nfs/dbraw/zinc/30/85/31/977308531.db2.gz SUWXAOBDLHAHMZ-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C2(C)CC=CC2)CC1 ZINC001670850370 1167466764 /nfs/dbraw/zinc/46/67/64/1167466764.db2.gz HHALKIUDELRMMM-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000385981013 1167479427 /nfs/dbraw/zinc/47/94/27/1167479427.db2.gz RCZWJAJKYHKPPN-UHFFFAOYSA-N 1 0 248.326 2.314 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H](C)CC1 ZINC001691564818 1167513999 /nfs/dbraw/zinc/51/39/99/1167513999.db2.gz JLELWEZXBFJZTD-JOCQHMNTSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001691577325 1167516000 /nfs/dbraw/zinc/51/60/00/1167516000.db2.gz KJJKSHZSEGDFNF-BFHNITGGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CCC ZINC001700716298 1167567467 /nfs/dbraw/zinc/56/74/67/1167567467.db2.gz DROQIFYKJPDAFI-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](CCC#N)CN1CC[NH+](C(C)(C)C)CC1 ZINC001336723054 977882965 /nfs/dbraw/zinc/88/29/65/977882965.db2.gz XBIUBMFMZGECFF-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C[C@@H](C#CC(C)(C)C)OCC[N+](C)(C)C ZINC001224776300 1167600589 /nfs/dbraw/zinc/60/05/89/1167600589.db2.gz UUSFKDSBLKRJGI-ZDUSSCGKSA-N 1 0 224.368 2.313 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)c(OC)cc1O ZINC001232270163 977988166 /nfs/dbraw/zinc/98/81/66/977988166.db2.gz WCEPJOOWSNFIJZ-UHFFFAOYSA-N 1 0 239.702 2.119 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232675138 978245884 /nfs/dbraw/zinc/24/58/84/978245884.db2.gz LVJQITBOIIMKHR-SNVBAGLBSA-N 1 0 218.300 2.494 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC)CC(C)(C)C1 ZINC001089283287 1167729026 /nfs/dbraw/zinc/72/90/26/1167729026.db2.gz JXPGJJWBCAAUGE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1nc(C)c(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC001234636468 1167766726 /nfs/dbraw/zinc/76/67/26/1167766726.db2.gz ZJVHAHFEGNABSE-UHFFFAOYSA-N 1 0 232.331 2.152 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CCCCC)C1 ZINC001752928747 1167781115 /nfs/dbraw/zinc/78/11/15/1167781115.db2.gz DYDIFXDNEKNDOW-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC000721995815 978597494 /nfs/dbraw/zinc/59/74/94/978597494.db2.gz HDNZUJWJWLWNHM-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)CCC ZINC001277797585 978657767 /nfs/dbraw/zinc/65/77/67/978657767.db2.gz RXTDUTNPLWHKHB-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)CC(C)(C)C ZINC001234004962 978750364 /nfs/dbraw/zinc/75/03/64/978750364.db2.gz DMDBHKWYIDXFIN-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)CC ZINC001234128146 978781726 /nfs/dbraw/zinc/78/17/26/978781726.db2.gz ATDMIBGQIWSZPC-KXXVWKPMSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)CC ZINC001234128147 978782323 /nfs/dbraw/zinc/78/23/23/978782323.db2.gz ATDMIBGQIWSZPC-RSKUSDAESA-N 1 0 236.359 2.061 20 30 BEEDRO CC#CCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC001180467603 978891712 /nfs/dbraw/zinc/89/17/12/978891712.db2.gz AANJPFUAPOEDCQ-MRVPVSSYSA-N 1 0 206.116 2.183 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH2+]C[C@H]1CCC ZINC001340908136 979153390 /nfs/dbraw/zinc/15/33/90/979153390.db2.gz WSSVWUUICSYAAG-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@H](C)CC)C1 ZINC001484030931 1168221424 /nfs/dbraw/zinc/22/14/24/1168221424.db2.gz ZQSSFZXHYXVXFZ-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N1CC[C@](C)(C[NH2+]CC)C1 ZINC001484111058 1168225279 /nfs/dbraw/zinc/22/52/79/1168225279.db2.gz UZHOCOBHLBTVRS-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCCC[N@@H+]1CCCN[C@@H](C)C1 ZINC001236097133 979385388 /nfs/dbraw/zinc/38/53/88/979385388.db2.gz ICGKBJWBOODPDV-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCCC(C)(C)C ZINC001124778295 1168252368 /nfs/dbraw/zinc/25/23/68/1168252368.db2.gz NIARNTDXRQAVLD-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC(=O)NC1(C)CC[NH+](CCC)CC1 ZINC001671403154 1168324608 /nfs/dbraw/zinc/32/46/08/1168324608.db2.gz QCJVUIVNOSGVMR-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2OC=CC2=S)C1 ZINC001237190284 979839750 /nfs/dbraw/zinc/83/97/50/979839750.db2.gz HFKBOCHZGQAAIB-SNVBAGLBSA-N 1 0 221.325 2.414 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C[C@H](C)[NH2+]CCC ZINC001485876175 1168355916 /nfs/dbraw/zinc/35/59/16/1168355916.db2.gz DLPZXTRRKABISH-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1C[C@H]1C(=O)OCC)C(C)C ZINC000929292653 1168374514 /nfs/dbraw/zinc/37/45/14/1168374514.db2.gz OVDGYHMWECPBBC-NWDGAFQWSA-N 1 0 225.332 2.082 20 30 BEEDRO CC1=CC[C@@H]([NH2+]CC2(C#N)CCOCC2)CC1 ZINC001184278850 980012985 /nfs/dbraw/zinc/01/29/85/980012985.db2.gz VZLPALYOLPHSBN-CYBMUJFWSA-N 1 0 234.343 2.395 20 30 BEEDRO C=C(C)CNc1nc(NC2CC2)cc(C)[nH+]1 ZINC001163372736 1168410632 /nfs/dbraw/zinc/41/06/32/1168410632.db2.gz UDMSFLKGAZHPEX-UHFFFAOYSA-N 1 0 218.304 2.347 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC001344422032 980394437 /nfs/dbraw/zinc/39/44/37/980394437.db2.gz PTSCNQRNTAITMN-YPMHNXCESA-N 1 0 238.375 2.365 20 30 BEEDRO CC[C@H](CC#N)OC(=O)[C@H]1CCCN1C(C)C ZINC001345886447 980701708 /nfs/dbraw/zinc/70/17/08/980701708.db2.gz FNECUJCISGCHJT-VXGBXAGGSA-N 1 0 238.331 2.095 20 30 BEEDRO CCCCCCC[NH2+]CC(C)(C)S(C)(=O)=O ZINC000118202863 1168525723 /nfs/dbraw/zinc/52/57/23/1168525723.db2.gz IJTNVLBQPRSNSI-UHFFFAOYSA-N 1 0 249.420 2.370 20 30 BEEDRO C=C(CC)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001346382149 980822971 /nfs/dbraw/zinc/82/29/71/980822971.db2.gz REALVKRIVVJICM-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2ccccc2nc1OC ZINC000809683437 1168554645 /nfs/dbraw/zinc/55/46/45/1168554645.db2.gz DCFLYGPBXGYFAX-NSHDSACASA-N 1 0 240.306 2.355 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133712614 1168575696 /nfs/dbraw/zinc/57/56/96/1168575696.db2.gz HYPWYOVIGFRANH-WDEREUQCSA-N 1 0 246.782 2.268 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC ZINC001134476634 1168591229 /nfs/dbraw/zinc/59/12/29/1168591229.db2.gz VOAGGBQQDHADHB-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCF ZINC001135358208 1168602355 /nfs/dbraw/zinc/60/23/55/1168602355.db2.gz OOTMMABDZUCUSK-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)CC(C)C ZINC001135868520 1168611018 /nfs/dbraw/zinc/61/10/18/1168611018.db2.gz SCGFVRBZJJTSGI-JTQLQIEISA-N 1 0 246.782 2.127 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C)cc1OC ZINC000823904566 1168630831 /nfs/dbraw/zinc/63/08/31/1168630831.db2.gz IIBIFDVOYOWBPC-UHFFFAOYSA-N 1 0 249.379 2.460 20 30 BEEDRO C[C@@H]1CO[C@@H]2C[N@@H+](C3CCC(CC#N)CC3)C[C@H]12 ZINC001173337534 1168688144 /nfs/dbraw/zinc/68/81/44/1168688144.db2.gz NODSHVCZCOMAFW-BZTHDZJNSA-N 1 0 248.370 2.426 20 30 BEEDRO C[C@H]1C[C@H](O)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337476 1168688369 /nfs/dbraw/zinc/68/83/69/1168688369.db2.gz LOPSAXQNSMIFNH-GFJIZPEISA-N 1 0 236.359 2.304 20 30 BEEDRO CN(C)[C@@H]1CCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173334945 1168687452 /nfs/dbraw/zinc/68/74/52/1168687452.db2.gz AXWUSJOLXWJGEQ-YMAMQOFZSA-N 1 0 249.402 2.485 20 30 BEEDRO N#CCC1CCC([N@@H+]2C[C@@H]3CCO[C@@H]3C2)CC1 ZINC001173337497 1168689165 /nfs/dbraw/zinc/68/91/65/1168689165.db2.gz MEOBHSYJRNKPAY-GNRIBBGQSA-N 1 0 234.343 2.180 20 30 BEEDRO CC[N@H+](C1CN(C)C1)C1CCC(CC#N)CC1 ZINC001173336477 1168689181 /nfs/dbraw/zinc/68/91/81/1168689181.db2.gz AJKUGVNQZCJNLV-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO C=C(CC(C)C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC001349810693 981756293 /nfs/dbraw/zinc/75/62/93/981756293.db2.gz UECHJFIRLLTNLS-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1CC([NH+]2CCC(C#N)CC2)C[C@@H](C)O1 ZINC000338942403 1168710373 /nfs/dbraw/zinc/71/03/73/1168710373.db2.gz RLVYLNNFGIMWSW-GHMZBOCLSA-N 1 0 222.332 2.178 20 30 BEEDRO C=C(C)c1ccc2c(c1)COC21C[NH2+]C1 ZINC001240836760 981878269 /nfs/dbraw/zinc/87/82/69/981878269.db2.gz AZIBIVHUZPVZKY-UHFFFAOYSA-N 1 0 201.269 2.048 20 30 BEEDRO Cc1nccc(C=C2CC[NH2+]CC2)c1C#N ZINC001240879439 981935267 /nfs/dbraw/zinc/93/52/67/981935267.db2.gz QLLPQQUCSWMGHW-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C[NH+](C)CCCOc1ccc(CCCC#N)cn1 ZINC001250060567 1168742287 /nfs/dbraw/zinc/74/22/87/1168742287.db2.gz FYEBIWCDPQWLKQ-UHFFFAOYSA-N 1 0 247.342 2.258 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC001352433661 982526048 /nfs/dbraw/zinc/52/60/48/982526048.db2.gz OITTXABIAVLHPJ-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO CC1([NH+]2CCCC2)CCC(=NN2CCC2)CC1 ZINC001353075807 982683391 /nfs/dbraw/zinc/68/33/91/982683391.db2.gz DTEGVARLXHVJEM-UHFFFAOYSA-N 1 0 235.375 2.477 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC001252555671 1168881036 /nfs/dbraw/zinc/88/10/36/1168881036.db2.gz ZWEKWIIISVFYDE-LSDHHAIUSA-N 1 0 247.338 2.077 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001252555670 1168881083 /nfs/dbraw/zinc/88/10/83/1168881083.db2.gz ZWEKWIIISVFYDE-HUUCEWRRSA-N 1 0 247.338 2.077 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1C ZINC001252572916 1168888529 /nfs/dbraw/zinc/88/85/29/1168888529.db2.gz WCYOOXLUHXUZDR-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1nccc2ccccc21 ZINC001252574018 1168889439 /nfs/dbraw/zinc/88/94/39/1168889439.db2.gz KQGZHFNMKSTFGX-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001671098864 1168977935 /nfs/dbraw/zinc/97/79/35/1168977935.db2.gz GDLDPGODUHVCAG-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000886362701 1168982665 /nfs/dbraw/zinc/98/26/65/1168982665.db2.gz JTRXWJGWSAZJKM-VXGBXAGGSA-N 1 0 218.300 2.389 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2ncc(C)o2)C1 ZINC000886362698 1168982719 /nfs/dbraw/zinc/98/27/19/1168982719.db2.gz JTRXWJGWSAZJKM-NEPJUHHUSA-N 1 0 218.300 2.389 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C[C@H](O)CCCC ZINC001252076594 983241864 /nfs/dbraw/zinc/24/18/64/983241864.db2.gz AHMIBBMPODRKPY-GFCCVEGCSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000717852512 1169032888 /nfs/dbraw/zinc/03/28/88/1169032888.db2.gz VZPZXNNMTUKCOO-ZIAGYGMSSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000717852500 1169032582 /nfs/dbraw/zinc/03/25/82/1169032582.db2.gz VZPZXNNMTUKCOO-KBPBESRZSA-N 1 0 235.371 2.463 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1CC([NH2+]CC)C1 ZINC001100644970 983346865 /nfs/dbraw/zinc/34/68/65/983346865.db2.gz OLHDBMZEKZQKSZ-ORHYLEIMSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)Cc1ccno1 ZINC001308676823 1169050355 /nfs/dbraw/zinc/05/03/55/1169050355.db2.gz JVHGPIJPSRYTFA-JTQLQIEISA-N 1 0 226.345 2.114 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)Cc1ccno1 ZINC001308676824 1169050469 /nfs/dbraw/zinc/05/04/69/1169050469.db2.gz JVHGPIJPSRYTFA-SNVBAGLBSA-N 1 0 226.345 2.114 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC([NH2+]CC)CC1 ZINC001200795314 983374577 /nfs/dbraw/zinc/37/45/77/983374577.db2.gz ZVWTXTKJPKTTGA-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2CCNC(=O)[C@@H]2C1 ZINC001201797735 983475402 /nfs/dbraw/zinc/47/54/02/983475402.db2.gz DSFNSBXNQGYRRH-QWHCGFSZSA-N 1 0 238.375 2.025 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@@H]1CCCN1C ZINC000686677360 1169109474 /nfs/dbraw/zinc/10/94/74/1169109474.db2.gz GIYKFKGWIYWMDX-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000686676491 1169108740 /nfs/dbraw/zinc/10/87/40/1169108740.db2.gz HXPHBBNOPGJQSP-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001490255721 983719088 /nfs/dbraw/zinc/71/90/88/983719088.db2.gz HNRJHOWXHKYDMU-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1[nH+]cn(C)c1NC1=CC[C@@H](C#N)CC1 ZINC001212858012 1169120304 /nfs/dbraw/zinc/12/03/04/1169120304.db2.gz WXYLZBDJMHINJB-SNVBAGLBSA-N 1 0 216.288 2.348 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@H+](CCC=C)C1 ZINC001490558627 983730822 /nfs/dbraw/zinc/73/08/22/983730822.db2.gz IRZBWVSXRNRMRJ-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCN(CC)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC001357514511 983733737 /nfs/dbraw/zinc/73/37/37/983733737.db2.gz GHFWSYQZUTWJAL-NEPJUHHUSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)[C@H](C)CC)C1CC1 ZINC001490637980 983735932 /nfs/dbraw/zinc/73/59/32/983735932.db2.gz MDGVWZRMADASMH-DGCLKSJQSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CC[C@H](C)C(F)(F)CC1 ZINC001252547300 983811618 /nfs/dbraw/zinc/81/16/18/983811618.db2.gz HBOZNPHGLYNKRW-QWRGUYRKSA-N 1 0 233.302 2.291 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1ccccc1F ZINC001252558593 983818102 /nfs/dbraw/zinc/81/81/02/983818102.db2.gz YELSGSFQTGKYKQ-CQSZACIVSA-N 1 0 237.318 2.237 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1(C)CC(F)(F)C1 ZINC001252615984 983851269 /nfs/dbraw/zinc/85/12/69/983851269.db2.gz JTPLTVHZOHJRCU-JTQLQIEISA-N 1 0 233.302 2.339 20 30 BEEDRO C=CCN1CC[NH+](Cc2cc(C)cs2)CC1 ZINC001137157050 983998386 /nfs/dbraw/zinc/99/83/86/983998386.db2.gz JJPWPUMDDJKMRV-UHFFFAOYSA-N 1 0 236.384 2.360 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)CC)C(C)(C)C ZINC001571616502 984033573 /nfs/dbraw/zinc/03/35/73/984033573.db2.gz FSQALLRBSJBSEB-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC001574849809 984119126 /nfs/dbraw/zinc/11/91/26/984119126.db2.gz REGYYIFAPZLBBU-QWHCGFSZSA-N 1 0 238.375 2.367 20 30 BEEDRO CCOc1ccnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC001254648868 1169237142 /nfs/dbraw/zinc/23/71/42/1169237142.db2.gz LBISWVJUIZDNSC-NWDGAFQWSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001491493729 1169277396 /nfs/dbraw/zinc/27/73/96/1169277396.db2.gz ATUDQFWMWARTID-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1CC(F)(F)C1 ZINC001172476106 974772645 /nfs/dbraw/zinc/77/26/45/974772645.db2.gz GZUQTYBKBISXJH-QMMMGPOBSA-N 1 0 202.248 2.456 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](CO)c1ccccc1 ZINC001172476511 974773500 /nfs/dbraw/zinc/77/35/00/974773500.db2.gz LXLHOJZZYAJTAP-TZMCWYRMSA-N 1 0 232.327 2.392 20 30 BEEDRO Cc1cc(C)n(CC[NH2+][C@@H](C)CCCC#N)n1 ZINC001172477084 974774260 /nfs/dbraw/zinc/77/42/60/974774260.db2.gz VDWXXKFXHNVVOU-NSHDSACASA-N 1 0 234.347 2.172 20 30 BEEDRO COC[C@H]([NH2+][C@H](C)CCCC#N)C(C)C ZINC001172477224 974775531 /nfs/dbraw/zinc/77/55/31/974775531.db2.gz XHQCKBAIFIWBQD-NEPJUHHUSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1ccco1 ZINC001172481195 974781588 /nfs/dbraw/zinc/78/15/88/974781588.db2.gz QLPYUWAZDUWEQL-LLVKDONJSA-N 1 0 206.289 2.494 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCOc1cccnc1 ZINC001172481997 974784135 /nfs/dbraw/zinc/78/41/35/974784135.db2.gz AWXMWXVJUYZTHR-LBPRGKRZSA-N 1 0 233.315 2.132 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1ncc(F)cn1 ZINC001172485861 974789079 /nfs/dbraw/zinc/78/90/79/974789079.db2.gz URGNMTUZRYXPHV-VHSXEESVSA-N 1 0 236.294 2.349 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)CCOCC(C)C ZINC001172455242 974818422 /nfs/dbraw/zinc/81/84/22/974818422.db2.gz PUQFETNIUFGPNY-LBPRGKRZSA-N 1 0 211.349 2.439 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2cc[nH]c2n1 ZINC001144179802 972655228 /nfs/dbraw/zinc/65/52/28/972655228.db2.gz UJABRMGHHWXELB-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO N#Cc1cc(F)cc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001139877556 1169367329 /nfs/dbraw/zinc/36/73/29/1169367329.db2.gz NYJZCBQHWMFOLH-FPMFFAJLSA-N 1 0 248.276 2.487 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001246580921 972947757 /nfs/dbraw/zinc/94/77/57/972947757.db2.gz OHKSLJYXCZUBKQ-OLZOCXBDSA-N 1 0 228.355 2.494 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC ZINC001151960039 1169409257 /nfs/dbraw/zinc/40/92/57/1169409257.db2.gz FSOUYGXKGWIXKO-CHWSQXEVSA-N 1 0 240.391 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2.226 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)CCCC[NH2+]CC ZINC001170453709 970852587 /nfs/dbraw/zinc/85/25/87/970852587.db2.gz QMZXDARMMNUSRP-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO CC(C)(C)[NH+]1CCC(NC2(C#N)CCC2)CC1 ZINC001256555409 970859767 /nfs/dbraw/zinc/85/97/67/970859767.db2.gz YKHOSXQFTOXMHC-UHFFFAOYSA-N 1 0 235.375 2.285 20 30 BEEDRO CCN(CCC#N)C1CC[NH+](C(C)(C)C)CC1 ZINC001256572891 970866020 /nfs/dbraw/zinc/86/60/20/970866020.db2.gz ZUFCMROXDMUFPB-UHFFFAOYSA-N 1 0 237.391 2.485 20 30 BEEDRO CC(C)C[C@@H](C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256615878 970882991 /nfs/dbraw/zinc/88/29/91/970882991.db2.gz BCVQVJILXBUJIB-PBNFFQIGSA-N 1 0 235.375 2.139 20 30 BEEDRO CCC[C@@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256619458 970883835 /nfs/dbraw/zinc/88/38/35/970883835.db2.gz CUAARVHNFKDLRT-GSPSYOTPSA-N 1 0 235.375 2.284 20 30 BEEDRO C=CCN(CC=C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627246 970888537 /nfs/dbraw/zinc/88/85/37/970888537.db2.gz ACEMYUJVOSQGES-PBWFPOADSA-N 1 0 220.360 2.286 20 30 BEEDRO CCCN(CCC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256627568 970895313 /nfs/dbraw/zinc/89/53/13/970895313.db2.gz GNAPGYVGZGAOQM-PBWFPOADSA-N 1 0 235.375 2.237 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001204810044 1169475662 /nfs/dbraw/zinc/47/56/62/1169475662.db2.gz MMJRXYXNNVJEGJ-MCIONIFRSA-N 1 0 238.350 2.270 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2c(cccc2OC)C1 ZINC001256654402 970902544 /nfs/dbraw/zinc/90/25/44/970902544.db2.gz NNOVUWTVVVISQE-CYBMUJFWSA-N 1 0 229.323 2.118 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)Cc1ccncc1 ZINC001256719386 970937211 /nfs/dbraw/zinc/93/72/11/970937211.db2.gz PQACRVRZZUPGFH-LLVKDONJSA-N 1 0 202.301 2.014 20 30 BEEDRO N#C[C@H]1CC=C(c2ccnc(C[NH3+])c2)CC1 ZINC001243798379 970948565 /nfs/dbraw/zinc/94/85/65/970948565.db2.gz MPJLVMYWUBKQCR-JTQLQIEISA-N 1 0 213.284 2.247 20 30 BEEDRO CC[N@@H+]1CCC[C@H](OCC#C[Si](C)(C)C)C1 ZINC001224617271 973800046 /nfs/dbraw/zinc/80/00/46/973800046.db2.gz 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/nfs/dbraw/zinc/12/11/63/971121163.db2.gz SASHUUXTCZMRHG-MGPQQGTHSA-N 1 0 246.358 2.011 20 30 BEEDRO C[N+](C)(C)CCO[C@@H](C#N)c1cccc(F)c1 ZINC001224774655 973943544 /nfs/dbraw/zinc/94/35/44/973943544.db2.gz WEFTXNDAGMXURP-ZDUSSCGKSA-N 1 0 237.298 2.113 20 30 BEEDRO C=CCN1CC[NH+]([C@H](CC)CCC)CC1 ZINC001257261032 971160898 /nfs/dbraw/zinc/16/08/98/971160898.db2.gz FMEODJFZPSMHOQ-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000404637401 971175561 /nfs/dbraw/zinc/17/55/61/971175561.db2.gz IOMIVLCMNHMKLU-CYBMUJFWSA-N 1 0 209.333 2.289 20 30 BEEDRO Cc1[nH+]cn(-c2c(C)cc(C#N)cc2C)c1N ZINC001215646144 1169538064 /nfs/dbraw/zinc/53/80/64/1169538064.db2.gz PEYFEBQBZULEJS-UHFFFAOYSA-N 1 0 226.283 2.251 20 30 BEEDRO CO[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405104786 971197553 /nfs/dbraw/zinc/19/75/53/971197553.db2.gz GHJXVNHQHIRSLU-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCOCCOCC[NH2+]C(CCC)CCC ZINC001257332330 971239732 /nfs/dbraw/zinc/23/97/32/971239732.db2.gz GISNYRCVGBGXMW-UHFFFAOYSA-N 1 0 241.375 2.211 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC)CC[C@@H]1C ZINC001131755186 971266688 /nfs/dbraw/zinc/26/66/88/971266688.db2.gz BSQJUOZCYTZHBL-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C=C(C)C)CC[C@@H]1C ZINC001131772180 971270762 /nfs/dbraw/zinc/27/07/62/971270762.db2.gz NAAAEDSRJHEUPY-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC000405576870 971278843 /nfs/dbraw/zinc/27/88/43/971278843.db2.gz FTGKHMJWOHFHLA-UHIISALHSA-N 1 0 230.311 2.071 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC000405609884 971281983 /nfs/dbraw/zinc/28/19/83/971281983.db2.gz MYVXWHWZCVCOOQ-SUNKGSAMSA-N 1 0 230.311 2.071 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000405608333 971283130 /nfs/dbraw/zinc/28/31/30/971283130.db2.gz GKOGIGYQOGVBIH-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO CCCCOC(=O)CC[C@@H](C)[NH2+]CCCC#N ZINC001257385358 971297432 /nfs/dbraw/zinc/29/74/32/971297432.db2.gz GJMICCADKGWQHG-GFCCVEGCSA-N 1 0 240.347 2.392 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CCC(=O)OCCCC ZINC001257386633 971297586 /nfs/dbraw/zinc/29/75/86/971297586.db2.gz WKITZFPZSNQMGU-RYUDHWBXSA-N 1 0 225.332 2.110 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)CCC(=O)OCCCC ZINC001257402864 971300966 /nfs/dbraw/zinc/30/09/66/971300966.db2.gz QLZKOXPLFIBOTI-CQSZACIVSA-N 1 0 249.354 2.067 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)C=C ZINC001132391877 971345462 /nfs/dbraw/zinc/34/54/62/971345462.db2.gz QZHFBNQDNQLHPD-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)CCCF ZINC001132472020 971365352 /nfs/dbraw/zinc/36/53/52/971365352.db2.gz YYXZUUFJSWQGPA-UHFFFAOYSA-N 1 0 246.370 2.412 20 30 BEEDRO C=CCN1CCC[C@@H]([NH2+]C2CCCCC2)C1=O ZINC001257452844 971374821 /nfs/dbraw/zinc/37/48/21/971374821.db2.gz RPTJKBNQTVCNIB-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132573359 971380226 /nfs/dbraw/zinc/38/02/26/971380226.db2.gz NFWAYSAFKLPPMB-CHWSQXEVSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC)CC[C@@H]1C ZINC001132571166 971381311 /nfs/dbraw/zinc/38/13/11/971381311.db2.gz ICKRKVHBVALJLK-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CCC1CC1 ZINC001132659606 971395985 /nfs/dbraw/zinc/39/59/85/971395985.db2.gz BLAOEUKPAOMLBV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC(=C)Cl ZINC001132660917 971396386 /nfs/dbraw/zinc/39/63/86/971396386.db2.gz WSDDVASLRNGVFF-SNVBAGLBSA-N 1 0 244.766 2.047 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CC=C(C)C ZINC001132660215 971397734 /nfs/dbraw/zinc/39/77/34/971397734.db2.gz KPBDSVQVZXBSIG-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CC[C@@H](C)F ZINC001132653913 971398028 /nfs/dbraw/zinc/39/80/28/971398028.db2.gz UTPXNHVRTVKKJX-VXGBXAGGSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@@H](C=C)CC ZINC001132663263 971399204 /nfs/dbraw/zinc/39/92/04/971399204.db2.gz SXLUOFXGFGSLME-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C/C=C/Cl ZINC001132663345 971399234 /nfs/dbraw/zinc/39/92/34/971399234.db2.gz VBQZYLQGCDLVCB-ZWNMCFTASA-N 1 0 244.766 2.047 20 30 BEEDRO CCCCCCCO[C@H]1C[NH2+][C@@H]2CCCO[C@@H]21 ZINC001217819495 971418115 /nfs/dbraw/zinc/41/81/15/971418115.db2.gz UTTXTKPYUVWBQJ-RDBSUJKOSA-N 1 0 241.375 2.493 20 30 BEEDRO CCCC[C@H](CC)CO[C@H]1C[NH2+]C[C@H]1C#N ZINC001217831377 971422828 /nfs/dbraw/zinc/42/28/28/971422828.db2.gz JSTPMUKJGHZTPG-XQQFMLRXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[NH+](C)CCCCO[C@@H]1CC[C@H](C#N)C1 ZINC001224992086 974122144 /nfs/dbraw/zinc/12/21/44/974122144.db2.gz HTNUQKDYZNTUQK-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1OCC[Si](C)(C)C ZINC001217833476 971425491 /nfs/dbraw/zinc/42/54/91/971425491.db2.gz WKQKKNVBTXQRMC-LLVKDONJSA-N 1 0 213.397 2.259 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1ccccc1CC ZINC001133029892 971439851 /nfs/dbraw/zinc/43/98/51/971439851.db2.gz HLCCVTPUJYVGAX-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1ccccc1CC ZINC001133033894 971439941 /nfs/dbraw/zinc/43/99/41/971439941.db2.gz RIHCKNQFXUPHDT-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001133062943 971448151 /nfs/dbraw/zinc/44/81/51/971448151.db2.gz RNEXIPXKPIPAJT-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1nc(-n2ccc(C[NH3+])c2)c(Cl)cc1C#N ZINC001158767560 971454734 /nfs/dbraw/zinc/45/47/34/971454734.db2.gz UGKKCFVSOFMDCM-UHFFFAOYSA-N 1 0 246.701 2.165 20 30 BEEDRO C=CC[C@@H](CCC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217867841 971462497 /nfs/dbraw/zinc/46/24/97/971462497.db2.gz WCDNNHZIWWFCMF-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO CCCCCCCN1CC2(C1)CC[NH2+]C2 ZINC000724094693 971489911 /nfs/dbraw/zinc/48/99/11/971489911.db2.gz ZRZREHBTLFJDQK-UHFFFAOYSA-N 1 0 210.365 2.252 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C(C)(C)C(C)C ZINC001158834249 971493984 /nfs/dbraw/zinc/49/39/84/971493984.db2.gz PCUNPJVYYRFBJQ-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@]1(C)CC[C@H](OCCC[NH3+])C(C)(C)O1 ZINC001217894064 971494177 /nfs/dbraw/zinc/49/41/77/971494177.db2.gz AGIDBEALYDUUNI-WCQYABFASA-N 1 0 227.348 2.254 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]C/C=C\Cl ZINC001133383351 971506677 /nfs/dbraw/zinc/50/66/77/971506677.db2.gz OBZFMOYVKHXTPU-ZHRWSRJISA-N 1 0 244.766 2.047 20 30 BEEDRO C#CC[N@@H+](C)C1CCC(OC(C)C)CC1 ZINC001257883297 971517315 /nfs/dbraw/zinc/51/73/15/971517315.db2.gz WHMJWBPXOLGLJP-UHFFFAOYSA-N 1 0 209.333 2.288 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC ZINC001133418059 971517883 /nfs/dbraw/zinc/51/78/83/971517883.db2.gz HGNFXRLFEDSOPI-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC(n3cnc(CC[NH3+])n3)C[C@H](C1)C2 ZINC001257887252 971518824 /nfs/dbraw/zinc/51/88/24/971518824.db2.gz YXBDXBCUOZKMLC-FUNVUKJBSA-N 1 0 246.358 2.087 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C3(CO)CC3)C[C@H](C1)C2 ZINC001257886975 971520031 /nfs/dbraw/zinc/52/00/31/971520031.db2.gz SCRRNANBNAONRV-FUNVUKJBSA-N 1 0 221.344 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(N(C)C)C3)C[C@H](C1)C2 ZINC001257891832 971525402 /nfs/dbraw/zinc/52/54/02/971525402.db2.gz PLNVOJRVKHGGJE-PBWFPOADSA-N 1 0 234.387 2.367 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001133426039 971521691 /nfs/dbraw/zinc/52/16/91/971521691.db2.gz MTDXFGONVPFAOH-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1C[C@@H]2CC(n3c(C)nnc3C[NH3+])C[C@H](C1)C2 ZINC001257889708 971522567 /nfs/dbraw/zinc/52/25/67/971522567.db2.gz IOXNCWISFIPXGI-FUNVUKJBSA-N 1 0 246.358 2.353 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(CO)C3)C[C@H](C1)C2 ZINC001257892833 971526981 /nfs/dbraw/zinc/52/69/81/971526981.db2.gz GSUAFTRIENPOSX-ONXXMXGDSA-N 1 0 221.344 2.045 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001133438398 971529252 /nfs/dbraw/zinc/52/92/52/971529252.db2.gz OOWIFPYZXNLZOK-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO N#CCCCC[NH2+]C1CCC2(COC2)CC1 ZINC001257899594 971532763 /nfs/dbraw/zinc/53/27/63/971532763.db2.gz STTMDHPQYWBNMB-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CCC2(COC2)CC1 ZINC001257900316 971535156 /nfs/dbraw/zinc/53/51/56/971535156.db2.gz UZZJAQSTPUVDCO-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C(F)F ZINC001133451353 971541137 /nfs/dbraw/zinc/54/11/37/971541137.db2.gz DMYLLRCSOGACOJ-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257910959 971541619 /nfs/dbraw/zinc/54/16/19/971541619.db2.gz ODNPPQMJVJOENA-ZDUSSCGKSA-N 1 0 233.355 2.291 20 30 BEEDRO C#CCC[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257952627 971544330 /nfs/dbraw/zinc/54/43/30/971544330.db2.gz JTBZIZPOBIRFQV-LBPRGKRZSA-N 1 0 235.714 2.256 20 30 BEEDRO C[NH2+][C@H]1C[C@@H](Oc2cc(C)c(C#N)cc2C)C1 ZINC001217955923 971545461 /nfs/dbraw/zinc/54/54/61/971545461.db2.gz MHLPADNINBDRLF-BETUJISGSA-N 1 0 230.311 2.304 20 30 BEEDRO Cc1cc(O[C@@H]2CCC[NH2+]C2)cc(C)c1C#N ZINC001217960759 971549524 /nfs/dbraw/zinc/54/95/24/971549524.db2.gz TYAGAHXQFUBPCI-GFCCVEGCSA-N 1 0 230.311 2.306 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CC[C@@](C)(C#N)C2)CC1 ZINC001258018729 971557355 /nfs/dbraw/zinc/55/73/55/971557355.db2.gz RXVRZVGLPSGZDU-HNNXBMFYSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001133539037 971559983 /nfs/dbraw/zinc/55/99/83/971559983.db2.gz KEMLDOXVVPNSDJ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCCCCC[C@H](C)N[C@]([NH3+])(CC)CO ZINC001258040433 971560969 /nfs/dbraw/zinc/56/09/69/971560969.db2.gz CGJQETKDIMHHNT-QWHCGFSZSA-N 1 0 230.396 2.382 20 30 BEEDRO CCCCCCC[C@H](C)n1nnnc1C[NH3+] ZINC001258039764 971561268 /nfs/dbraw/zinc/56/12/68/971561268.db2.gz WPUVCYAKWUQBJX-JTQLQIEISA-N 1 0 225.340 2.053 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CNC(=O)O1 ZINC001258043939 971565195 /nfs/dbraw/zinc/56/51/95/971565195.db2.gz VLSQFRHOORTTTJ-NEPJUHHUSA-N 1 0 242.363 2.433 20 30 BEEDRO CC#CC[N@H+](C)Cc1c[nH]c(=O)c2ccccc12 ZINC001170699508 971586280 /nfs/dbraw/zinc/58/62/80/971586280.db2.gz CXEAYKQOFMTSNS-UHFFFAOYSA-N 1 0 240.306 2.396 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccncc1 ZINC000747871554 971615155 /nfs/dbraw/zinc/61/51/55/971615155.db2.gz JRYXDTWHHYTZRK-YUTCNCBUSA-N 1 0 232.327 2.466 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001133888602 971615745 /nfs/dbraw/zinc/61/57/45/971615745.db2.gz KPMBTFRLMURFOH-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCCF ZINC001133887980 971617095 /nfs/dbraw/zinc/61/70/95/971617095.db2.gz DROAPNQNSPVYQJ-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1nc2cc(C)ccc2[nH]1 ZINC001218203889 971626295 /nfs/dbraw/zinc/62/62/95/971626295.db2.gz JSSMXBBSSXGKLU-CYBMUJFWSA-N 1 0 243.310 2.168 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc2ccccc2[nH]1 ZINC001218205843 971627555 /nfs/dbraw/zinc/62/75/55/971627555.db2.gz YACVRZGZXLZDCT-CYBMUJFWSA-N 1 0 228.295 2.465 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(OC)cc1C ZINC001218204082 971627651 /nfs/dbraw/zinc/62/76/51/971627651.db2.gz MIZKUFYHBULELN-CQSZACIVSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1nc2cccc(C)c2o1 ZINC001218208752 971629892 /nfs/dbraw/zinc/62/98/92/971629892.db2.gz PDRDPVBGVQLZKO-GFCCVEGCSA-N 1 0 244.294 2.433 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H](NC(=[NH2+])c3ccc(F)cn3)C[C@@H]21 ZINC001170720876 971652437 /nfs/dbraw/zinc/65/24/37/971652437.db2.gz OSEMANWCVLBRPH-RTCCRHLQSA-N 1 0 247.317 2.361 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC1CCC1 ZINC001134026703 971652648 /nfs/dbraw/zinc/65/26/48/971652648.db2.gz RXNKWEOXEIDIMJ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([NH2+]CC3(C#N)CC3)C[C@@H]21 ZINC001170727724 971664362 /nfs/dbraw/zinc/66/43/62/971664362.db2.gz PIJIWHBIKJYIID-RTCCRHLQSA-N 1 0 204.317 2.314 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3cncc(C#N)c3)C[C@@H]21 ZINC001170731347 971670236 /nfs/dbraw/zinc/67/02/36/971670236.db2.gz POLNECSCJIGYJO-ZSOGYDGISA-N 1 0 241.338 2.477 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CCCC(C)C ZINC001134207597 971680194 /nfs/dbraw/zinc/68/01/94/971680194.db2.gz IYACPTZGYFXUJJ-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=C(C)C(=O)OC[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC001218285607 971680980 /nfs/dbraw/zinc/68/09/80/971680980.db2.gz DTJUZBQZIQQNDI-LLVKDONJSA-N 1 0 249.310 2.032 20 30 BEEDRO COc1cc(C#N)cc(C)c1O[C@H]1CCC[NH2+]C1 ZINC001218288601 971685741 /nfs/dbraw/zinc/68/57/41/971685741.db2.gz ZMAKXHXLBWBXGV-LBPRGKRZSA-N 1 0 246.310 2.006 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C=C(\C)CC ZINC001134285333 971700114 /nfs/dbraw/zinc/70/01/14/971700114.db2.gz QFNUVAAURSEMSK-SDGMYFCLSA-N 1 0 238.375 2.402 20 30 BEEDRO CCN(CCC#N)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119806 974380144 /nfs/dbraw/zinc/38/01/44/974380144.db2.gz ASAIDQZFCLWUDY-WDNDVIMCSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)C1CCCC1 ZINC001170747668 971712451 /nfs/dbraw/zinc/71/24/51/971712451.db2.gz TUZZSCZRJPOIIE-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[C@H](CC)Oc1cccc(C[NH3+])c1 ZINC001218353626 971716279 /nfs/dbraw/zinc/71/62/79/971716279.db2.gz JHTKTIXKMJUBSE-LBPRGKRZSA-N 1 0 203.285 2.326 20 30 BEEDRO C[C@@H](Oc1cccc(C[NH3+])c1)[C@H](C)S ZINC001218337376 971717277 /nfs/dbraw/zinc/71/72/77/971717277.db2.gz UKMCEKNRNVVQGF-BDAKNGLRSA-N 1 0 211.330 2.231 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(C)(C)CC=C ZINC001134428240 971721435 /nfs/dbraw/zinc/72/14/35/971721435.db2.gz FBHGNCGCCKSDOA-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C[C@H](C)CC ZINC001134412003 971724404 /nfs/dbraw/zinc/72/44/04/971724404.db2.gz PEDSWFQWKWCCMT-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C)CC1 ZINC001134434655 971725229 /nfs/dbraw/zinc/72/52/29/971725229.db2.gz IEEQAXUNXKTBMA-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C#C[C@@H](CC(C)C)Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218354676 971726345 /nfs/dbraw/zinc/72/63/45/971726345.db2.gz CNRUIYMPNJRKQA-ZDUSSCGKSA-N 1 0 244.338 2.154 20 30 BEEDRO C=CCN1CC[NH+]([C@@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170758892 971740694 /nfs/dbraw/zinc/74/06/94/971740694.db2.gz YMAVOLVWAOAECX-ZSOGYDGISA-N 1 0 234.387 2.225 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](C)CC1CCCC1 ZINC001134682911 971767222 /nfs/dbraw/zinc/76/72/22/971767222.db2.gz CJQPSWVCABGKBP-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CN(C)c1cccc(NCC(C)(C)S)[nH+]1 ZINC001159263712 971787887 /nfs/dbraw/zinc/78/78/87/971787887.db2.gz CYITZBGCDIMDDT-UHFFFAOYSA-N 1 0 225.361 2.268 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)CC(C)(C)C ZINC001134803010 971789886 /nfs/dbraw/zinc/78/98/86/971789886.db2.gz NWXQKZBLGDULMI-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO CCCCCCCCCN1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001206081725 971794472 /nfs/dbraw/zinc/79/44/72/971794472.db2.gz QCJXNBYGXJGKEF-ZIAGYGMSSA-N 1 0 242.407 2.131 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC001170776344 971799427 /nfs/dbraw/zinc/79/94/27/971799427.db2.gz QABROMHKPDWCMB-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC001170775808 971800109 /nfs/dbraw/zinc/80/01/09/971800109.db2.gz OZYQSWFDNNFHSN-AVGNSLFASA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1cc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c(C)cc1C#N ZINC001218445436 971822684 /nfs/dbraw/zinc/82/26/84/971822684.db2.gz XNKJWKLDJZSXLQ-UXIGCNINSA-N 1 0 242.322 2.304 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC(F)F ZINC001135011533 971820508 /nfs/dbraw/zinc/82/05/08/971820508.db2.gz FWAJJKABBGJTBP-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(=O)cc(C)[nH]1 ZINC001218452496 971821629 /nfs/dbraw/zinc/82/16/29/971821629.db2.gz ZQTTXPPCMMJJIB-CHWSQXEVSA-N 1 0 248.326 2.171 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CCF ZINC001172316493 974525742 /nfs/dbraw/zinc/52/57/42/974525742.db2.gz OWOYCNMHLMNLSR-LLVKDONJSA-N 1 0 220.291 2.391 20 30 BEEDRO CC[N@H+]([C@H](C)Cc1ccc(C#N)cc1)C1COC1 ZINC001172318381 974526825 /nfs/dbraw/zinc/52/68/25/974526825.db2.gz FMDVXDLEBPMHDA-GFCCVEGCSA-N 1 0 244.338 2.210 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C)CCC1 ZINC001135193721 971841645 /nfs/dbraw/zinc/84/16/45/971841645.db2.gz NYUQILCTVFCCQW-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001231658389 1169676550 /nfs/dbraw/zinc/67/65/50/1169676550.db2.gz VLGAUAVGBVQDHY-CVEARBPZSA-N 1 0 241.334 2.279 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC ZINC001135235131 971851930 /nfs/dbraw/zinc/85/19/30/971851930.db2.gz HBIUFXVJQDYXFO-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO C#Cc1cccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1 ZINC001231658225 1169678460 /nfs/dbraw/zinc/67/84/60/1169678460.db2.gz RPTXYPJSKMGYKK-IUODEOHRSA-N 1 0 229.323 2.013 20 30 BEEDRO Cc1cc(C#N)c(NC(=O)[C@@H]2CCCC[NH2+]2)s1 ZINC001218553410 971863604 /nfs/dbraw/zinc/86/36/04/971863604.db2.gz CBYMSAFXLYYYGI-JTQLQIEISA-N 1 0 249.339 2.009 20 30 BEEDRO C#Cc1cccc(C[N@@H+](C)CCSC)c1 ZINC001231660852 1169680336 /nfs/dbraw/zinc/68/03/36/1169680336.db2.gz KGCBQNOZNNTUDD-UHFFFAOYSA-N 1 0 219.353 2.463 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnc(-c2cccnc2)o1 ZINC001232133691 1169681905 /nfs/dbraw/zinc/68/19/05/1169681905.db2.gz JNQHMYSZGRJGGM-UHFFFAOYSA-N 1 0 229.283 2.354 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)s1 ZINC001232845733 1169684869 /nfs/dbraw/zinc/68/48/69/1169684869.db2.gz NLBZZCGUSCRHRH-ZDUSSCGKSA-N 1 0 248.351 2.375 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000309957054 971895922 /nfs/dbraw/zinc/89/59/22/971895922.db2.gz SZJMDYJUOFWFEG-GDBMZVCRSA-N 1 0 242.366 2.262 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CCCCC(C)C ZINC001135508658 971898648 /nfs/dbraw/zinc/89/86/48/971898648.db2.gz VCUOJUVZQGMMNJ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135564505 971920507 /nfs/dbraw/zinc/92/05/07/971920507.db2.gz DXOODUXSPZOFIL-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(CC)CC ZINC001276793753 971926286 /nfs/dbraw/zinc/92/62/86/971926286.db2.gz VWJXJJKIBJFKEV-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1coc(NC(=O)[C@](C)([NH3+])CC(C)C)c1C#N ZINC001218765527 971931686 /nfs/dbraw/zinc/93/16/86/971931686.db2.gz XTUKAGFXGCLLED-CYBMUJFWSA-N 1 0 249.314 2.162 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001170827456 971932873 /nfs/dbraw/zinc/93/28/73/971932873.db2.gz LGCBYAFSXHFPOU-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2CCCOCC2)CC1 ZINC001170827455 971933785 /nfs/dbraw/zinc/93/37/85/971933785.db2.gz LGCBYAFSXHFPOU-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1ccc(NC2=CCC[NH2+]C2)cc1C#N ZINC001159540081 971967159 /nfs/dbraw/zinc/96/71/59/971967159.db2.gz OUTSCTSOULXICN-UHFFFAOYSA-N 1 0 213.284 2.156 20 30 BEEDRO CCC[NH+]1CCN(Cc2cccc(C#N)c2)CC1 ZINC000310376879 971972444 /nfs/dbraw/zinc/97/24/44/971972444.db2.gz ILGLUYFKHZDRFP-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[NH2+]CCCS ZINC001172342389 974610619 /nfs/dbraw/zinc/61/06/19/974610619.db2.gz KYRHOQXJTSXHGR-MNOVXSKESA-N 1 0 219.394 2.490 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH+]1CC(CC#N)C1 ZINC001172340504 974609420 /nfs/dbraw/zinc/60/94/20/974609420.db2.gz QTIXHAXKUJHYAF-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345292 972004913 /nfs/dbraw/zinc/00/49/13/972004913.db2.gz HKHACWOXCITISS-SNVBAGLBSA-N 1 0 218.300 2.296 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001135988628 972018138 /nfs/dbraw/zinc/01/81/38/972018138.db2.gz OOWNBJCZQWBKMF-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccccc1CS ZINC001170890100 972038320 /nfs/dbraw/zinc/03/83/20/972038320.db2.gz DVITWHNNTKVDNG-SECBINFHSA-N 1 0 210.346 2.266 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccc(CCC#N)cc1 ZINC001170890898 972043406 /nfs/dbraw/zinc/04/34/06/972043406.db2.gz KUWOVGPXEZOSNA-LLVKDONJSA-N 1 0 217.316 2.292 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccc(CS)cc1 ZINC001170890368 972043516 /nfs/dbraw/zinc/04/35/16/972043516.db2.gz IMCHAJZFPWTRTQ-SECBINFHSA-N 1 0 210.346 2.266 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)c1cc[nH]c1 ZINC001170934679 972107762 /nfs/dbraw/zinc/10/77/62/972107762.db2.gz ULEDGTKQKQWQSH-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO N#CCC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170946549 972128512 /nfs/dbraw/zinc/12/85/12/972128512.db2.gz NUQWIBIAEYTQGS-NSHDSACASA-N 1 0 218.275 2.186 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170961232 972170506 /nfs/dbraw/zinc/17/05/06/972170506.db2.gz OVIGTYNKGUWJTG-PWSUYJOCSA-N 1 0 217.287 2.294 20 30 BEEDRO CC[C@H](CC(C)C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172402681 974653742 /nfs/dbraw/zinc/65/37/42/974653742.db2.gz UWHGOMPCZQWUMY-NEPJUHHUSA-N 1 0 244.379 2.321 20 30 BEEDRO C=C1C[C@@H]2CC(N[C@@H]3C[NH2+]C[C@H]3F)C[C@H](C1)C2 ZINC001246131085 972187493 /nfs/dbraw/zinc/18/74/93/972187493.db2.gz VLWTWXLDZLWFOY-QZQCMHJZSA-N 1 0 238.350 2.021 20 30 BEEDRO [NH3+][C@@H]1CCc2c1cccc2NCCCS ZINC001171003305 972228555 /nfs/dbraw/zinc/22/85/55/972228555.db2.gz TVSNNGVDTPLBLM-LLVKDONJSA-N 1 0 222.357 2.364 20 30 BEEDRO C=C1CCC(CNC(=O)[C@@H]([NH3+])[C@@H](C)CC)CC1 ZINC000724464853 956978570 /nfs/dbraw/zinc/97/85/70/956978570.db2.gz QSEWJUIAJMCIGV-AAEUAGOBSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC1CC[NH+](CC[C@H](C)SC)CC1 ZINC001208152199 957033479 /nfs/dbraw/zinc/03/34/79/957033479.db2.gz FLDPZJZNPRMVHA-NSHDSACASA-N 1 0 211.374 2.473 20 30 BEEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)C1CCC1 ZINC000402157466 957079680 /nfs/dbraw/zinc/07/96/80/957079680.db2.gz QGCJGBXWRUABTR-AWEZNQCLSA-N 1 0 230.311 2.076 20 30 BEEDRO CCCCN(CCC#N)C[C@@H]1CCC[N@H+](C)C1 ZINC001208606078 957093729 /nfs/dbraw/zinc/09/37/29/957093729.db2.gz CLTPJNJMAPKMAK-CQSZACIVSA-N 1 0 237.391 2.344 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)cc1C#N ZINC000705350849 957162453 /nfs/dbraw/zinc/16/24/53/957162453.db2.gz DJNJXUPYIGPKNG-SWLSCSKDSA-N 1 0 244.338 2.212 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(C#N)ccc2F)CC1 ZINC001208844191 957183291 /nfs/dbraw/zinc/18/32/91/957183291.db2.gz NUIGJWCEOIZJQA-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)CCC1CC1 ZINC001266308738 957191478 /nfs/dbraw/zinc/19/14/78/957191478.db2.gz BTBIGQXAVRNXCM-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001206801417 957209102 /nfs/dbraw/zinc/20/91/02/957209102.db2.gz VWJLHNHAHPCBNB-SNVBAGLBSA-N 1 0 238.356 2.033 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001266323812 957243972 /nfs/dbraw/zinc/24/39/72/957243972.db2.gz OMPVLZMNSAZHNZ-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2(CC=C)CCC2)C1 ZINC001266338937 957289708 /nfs/dbraw/zinc/28/97/08/957289708.db2.gz GIMZAMSHUVNMTK-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC1CC[NH+](CC(C)(C)OCC)CC1 ZINC001209077467 957319013 /nfs/dbraw/zinc/31/90/13/957319013.db2.gz MGIMFURFDHFKLD-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001209156348 957335700 /nfs/dbraw/zinc/33/57/00/957335700.db2.gz APGUOORKSWDSLB-ZJUUUORDSA-N 1 0 237.265 2.055 20 30 BEEDRO C=CCCC[N@@H+](C(C)C)[C@H]1CCN(C(C)=O)C1 ZINC001209163366 957340750 /nfs/dbraw/zinc/34/07/50/957340750.db2.gz DBVZBXQJXRGVRG-AWEZNQCLSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](Oc2ncc(C)cn2)C1 ZINC001209165369 957346042 /nfs/dbraw/zinc/34/60/42/957346042.db2.gz REXHEXIQOSBJHY-CYBMUJFWSA-N 1 0 247.342 2.204 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H]1CN(C)C ZINC001209204276 957348172 /nfs/dbraw/zinc/34/81/72/957348172.db2.gz AZFFIWNOMAOMTR-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001209201740 957352155 /nfs/dbraw/zinc/35/21/55/957352155.db2.gz PWWAJLMRTHXMFI-QWRGUYRKSA-N 1 0 201.285 2.011 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)/C(C)=C\CC)C1CC1 ZINC001266398324 957462712 /nfs/dbraw/zinc/46/27/12/957462712.db2.gz QHIMUBAPIDWXPX-TUOYRWMMSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)C[NH2+]C(C)(C)C)C1 ZINC000705918595 957545518 /nfs/dbraw/zinc/54/55/18/957545518.db2.gz PDZURPNMWPTDOF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1c(C#N)cccc1C#N ZINC001209965491 957587284 /nfs/dbraw/zinc/58/72/84/957587284.db2.gz DAEZLWZGIKETIX-UHFFFAOYSA-N 1 0 249.277 2.459 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693099641 957672223 /nfs/dbraw/zinc/67/22/23/957672223.db2.gz APKZJFBVNHZIRC-MMWGEVLESA-N 1 0 228.286 2.369 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC001167298555 957685613 /nfs/dbraw/zinc/68/56/13/957685613.db2.gz SLCBSABHOXJTJP-GFCCVEGCSA-N 1 0 231.343 2.391 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001266522354 957729938 /nfs/dbraw/zinc/72/99/38/957729938.db2.gz KNCOSRVPQRHDPO-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CCC1CCC1 ZINC001125396735 957765246 /nfs/dbraw/zinc/76/52/46/957765246.db2.gz NVTXYGANSKTECN-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C/C=C(\NC=[NH2+])N[C@@H]1CCc2c1cccc2C#N ZINC001171061260 972298685 /nfs/dbraw/zinc/29/86/85/972298685.db2.gz SANVJWOXJJURJZ-IAXOESPESA-N 1 0 240.310 2.193 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001266552050 957804479 /nfs/dbraw/zinc/80/44/79/957804479.db2.gz JZGUVKZQNSHCML-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C(CCO)CCO ZINC001246338621 972297651 /nfs/dbraw/zinc/29/76/51/972297651.db2.gz JZVWSFFBLBDMCB-ZDUSSCGKSA-N 1 0 245.407 2.458 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)C(C)(C)CC ZINC001266571419 957860020 /nfs/dbraw/zinc/86/00/20/957860020.db2.gz SWCJUCYEKDKNLQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@@H]1CC(=O)C=C(Nc2c[nH+]ccc2N(C)C)C1 ZINC001210766308 957866760 /nfs/dbraw/zinc/86/67/60/957866760.db2.gz OFINTFJPHULKMZ-JTQLQIEISA-N 1 0 245.326 2.442 20 30 BEEDRO C=CCC[N@@H+](CCNC(=O)CC(C)C)C1CC1 ZINC001266582044 957912756 /nfs/dbraw/zinc/91/27/56/957912756.db2.gz YHYFAQHPOMDEHG-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO Cn1c[nH+]cc1Nc1ncc(C#N)cc1Cl ZINC001211245879 958107988 /nfs/dbraw/zinc/10/79/88/958107988.db2.gz VXEBMEAXGPQICD-UHFFFAOYSA-N 1 0 233.662 2.084 20 30 BEEDRO Cn1c[nH+]cc1Nc1nc(Cl)ccc1C#N ZINC001211246877 958109196 /nfs/dbraw/zinc/10/91/96/958109196.db2.gz WMUAQAMOXUDBRB-UHFFFAOYSA-N 1 0 233.662 2.084 20 30 BEEDRO C=CCC1(NC(=O)[C@H](C)[NH2+]C2CC2)CCCC1 ZINC000690710584 958292402 /nfs/dbraw/zinc/29/24/02/958292402.db2.gz MQONJWGMKZPRDD-NSHDSACASA-N 1 0 236.359 2.132 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C)C1 ZINC001266725280 958318028 /nfs/dbraw/zinc/31/80/28/958318028.db2.gz BDYAFSJYFQXZGD-TXEJJXNPSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCC1([NH2+]CCCOC(C)C)CCC1 ZINC000933300589 958349552 /nfs/dbraw/zinc/34/95/52/958349552.db2.gz ATFKKWHWHJOHFV-UHFFFAOYSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](OC)C12CCC2)C(C)C ZINC000308357115 958369737 /nfs/dbraw/zinc/36/97/37/958369737.db2.gz DAGRYYPIORIDAC-RWMBFGLXSA-N 1 0 221.344 2.191 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C(C)(C)C1CCC1 ZINC001266788892 958396838 /nfs/dbraw/zinc/39/68/38/958396838.db2.gz GZCGVDQNNIMCIK-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CCc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000399103458 958506448 /nfs/dbraw/zinc/50/64/48/958506448.db2.gz HFWUEEGWOJIFHT-UHFFFAOYSA-N 1 0 237.306 2.437 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)C[Si](C)(C)c1ccccc1 ZINC001327013353 972357387 /nfs/dbraw/zinc/35/73/87/972357387.db2.gz QYUJBKHYYAPMOL-ZDUSSCGKSA-N 1 0 246.430 2.233 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[C@H](C)CC ZINC001266931664 958610724 /nfs/dbraw/zinc/61/07/24/958610724.db2.gz BVYQVJCAOOXSKQ-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC1CC[NH+]([C@H](CCCC)C(=O)OC)CC1 ZINC000692348423 958618205 /nfs/dbraw/zinc/61/82/05/958618205.db2.gz CUEQHFYIPIHRNZ-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](C)CCCC ZINC001266935003 958624412 /nfs/dbraw/zinc/62/44/12/958624412.db2.gz DYSPGYORYBMDLT-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403512785 958636109 /nfs/dbraw/zinc/63/61/09/958636109.db2.gz MRAJROAAEMQOSD-YOGCLGLASA-N 1 0 209.358 2.416 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC[C@H](C)CC)C1 ZINC001267021665 958761864 /nfs/dbraw/zinc/76/18/64/958761864.db2.gz QHLUZTZIDOWBOX-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CC)C1 ZINC001267072698 958827760 /nfs/dbraw/zinc/82/77/60/958827760.db2.gz HQSSHSOXMJRROC-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C)C(C)C ZINC001167530596 958842217 /nfs/dbraw/zinc/84/22/17/958842217.db2.gz HLHLQTJPHQFRPP-NSHDSACASA-N 1 0 246.782 2.127 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)nc1)C[C@H]1CC1(C)C ZINC001140545966 958844967 /nfs/dbraw/zinc/84/49/67/958844967.db2.gz RGBZSJWRDLPEMN-GFCCVEGCSA-N 1 0 229.327 2.431 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCOC12CCCC2 ZINC000934389643 958886362 /nfs/dbraw/zinc/88/63/62/958886362.db2.gz BIDVZILOBBPIPT-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CCNC(=O)CC1CC1 ZINC001267116761 958893010 /nfs/dbraw/zinc/89/30/10/958893010.db2.gz KRKWDZKVSNYKDX-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)/C=C\C(C)(C)C ZINC001267123065 958912823 /nfs/dbraw/zinc/91/28/23/958912823.db2.gz OMXGTHWCTQPGAO-UPZNUWHASA-N 1 0 238.375 2.259 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[C@@H](C)[NH2+]C(C)C)C1 ZINC001267144245 958952575 /nfs/dbraw/zinc/95/25/75/958952575.db2.gz VURPIAFQTAKTCW-GFCCVEGCSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCc1cc(C)cnc1-n1cccc1C[NH3+] ZINC001167585841 958965390 /nfs/dbraw/zinc/96/53/90/958965390.db2.gz FZSUSEDDXPITDZ-UHFFFAOYSA-N 1 0 227.311 2.368 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)c1ccc(C)cc1 ZINC001267153592 958973106 /nfs/dbraw/zinc/97/31/06/958973106.db2.gz LWNYIVZBKSSPAR-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404116916 959057413 /nfs/dbraw/zinc/05/74/13/959057413.db2.gz GEDMSDPYKZEKAF-UHFFFAOYSA-N 1 0 216.259 2.200 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1ccnn1C ZINC000235213691 959070297 /nfs/dbraw/zinc/07/02/97/959070297.db2.gz UOKUNWMAVFUUMT-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO C=CC[N@H+](C)CCNC(=O)C(C)(C)C1CCC1 ZINC001267209444 959184223 /nfs/dbraw/zinc/18/42/23/959184223.db2.gz ZXTCMOYQNBNVMB-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)[C@H](C)C(C)C ZINC001267219902 959204891 /nfs/dbraw/zinc/20/48/91/959204891.db2.gz BLZHHGPMUSXCBT-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)[C@H]1CC1(C)C ZINC001267238887 959271924 /nfs/dbraw/zinc/27/19/24/959271924.db2.gz ORTDEDOZPNKVEH-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)[C@@H]1CC1(C)C ZINC001267238888 959273252 /nfs/dbraw/zinc/27/32/52/959273252.db2.gz ORTDEDOZPNKVEH-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C1CC([NH2+]CC)C1 ZINC001279235384 959284603 /nfs/dbraw/zinc/28/46/03/959284603.db2.gz DFVJFJAJJQOUOJ-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)[C@H](F)CC)C(C)C ZINC001267308250 959403928 /nfs/dbraw/zinc/40/39/28/959403928.db2.gz QYCIRCMGACSUSE-GFCCVEGCSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CNC(C)=O)c1ccccc1 ZINC001267345444 959489398 /nfs/dbraw/zinc/48/93/98/959489398.db2.gz FPVSIOCKOCOQPZ-OAHLLOKOSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000308989284 959551739 /nfs/dbraw/zinc/55/17/39/959551739.db2.gz KRDNEOGLFUBRJL-NEPJUHHUSA-N 1 0 229.389 2.310 20 30 BEEDRO CCCCCCCO[C@H]1C[NH2+]C[C@@H]1F ZINC001217780116 959592744 /nfs/dbraw/zinc/59/27/44/959592744.db2.gz FXRKPRFRIXAJPZ-QWRGUYRKSA-N 1 0 203.301 2.283 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)C(C)(C)C ZINC001267458483 959677921 /nfs/dbraw/zinc/67/79/21/959677921.db2.gz QBJICNBCMGMCBM-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C#C[C@H](OC[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217862402 959681382 /nfs/dbraw/zinc/68/13/82/959681382.db2.gz OQOVUODNEGIHLY-HIFRSBDPSA-N 1 0 229.323 2.377 20 30 BEEDRO C=CCn1cc(-c2ccc3c(c2)CC[NH2+]C3)cn1 ZINC001222386596 972451377 /nfs/dbraw/zinc/45/13/77/972451377.db2.gz KAAUZUGGDOWIAO-UHFFFAOYSA-N 1 0 239.322 2.382 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C1CCN(C(C)=O)CC1 ZINC001267480733 959760001 /nfs/dbraw/zinc/76/00/01/959760001.db2.gz QIDUCGSQIZYQLR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)Oc1cccc(N2CC[NH2+]CC2)c1 ZINC001217974088 959810226 /nfs/dbraw/zinc/81/02/26/959810226.db2.gz YGSGONULCRCBMU-CYBMUJFWSA-N 1 0 246.354 2.440 20 30 BEEDRO C=CCn1cc(-c2cccc3c2C[NH2+]C3)cn1 ZINC001222396356 972458745 /nfs/dbraw/zinc/45/87/45/972458745.db2.gz WJJODOXGLNKPCE-UHFFFAOYSA-N 1 0 225.295 2.339 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000724858267 959826160 /nfs/dbraw/zinc/82/61/60/959826160.db2.gz JSVWFIVXQZHHMP-DABQJJPHSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](CCNC(=O)CC(C)C)C1 ZINC001267549656 959845891 /nfs/dbraw/zinc/84/58/91/959845891.db2.gz GVCJPYWAVZKMAQ-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](CC)C(C)C ZINC001480977329 959870786 /nfs/dbraw/zinc/87/07/86/959870786.db2.gz PZMPRHRESNQBBY-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000309606726 959965158 /nfs/dbraw/zinc/96/51/58/959965158.db2.gz YBQPIHOHLOGTNA-QWHCGFSZSA-N 1 0 221.344 2.073 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000695069755 960080541 /nfs/dbraw/zinc/08/05/41/960080541.db2.gz CYPNGXJKDMYALV-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)C1CCCC1 ZINC001327171154 972478526 /nfs/dbraw/zinc/47/85/26/972478526.db2.gz BJVKIRBWXRHDAO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@@H](C)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC001144017815 972482468 /nfs/dbraw/zinc/48/24/68/972482468.db2.gz NGDLPPVMKGJYKQ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](C)C(=O)NCCCCC[NH+](C)C ZINC001144022817 972493447 /nfs/dbraw/zinc/49/34/47/972493447.db2.gz YTTFFAYDPFOKRK-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001267759441 960303574 /nfs/dbraw/zinc/30/35/74/960303574.db2.gz OEXDOOSRANQMIK-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)CCCCO ZINC000695776375 960451808 /nfs/dbraw/zinc/45/18/08/960451808.db2.gz DDJYELJOFIJLSQ-NWDGAFQWSA-N 1 0 226.364 2.455 20 30 BEEDRO C=CC[C@H](C)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001144027951 972505938 /nfs/dbraw/zinc/50/59/38/972505938.db2.gz SOADUWSRTYTZPM-VIFPVBQESA-N 1 0 249.289 2.264 20 30 BEEDRO CCn1ccnc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695833919 960497421 /nfs/dbraw/zinc/49/74/21/960497421.db2.gz ALDBBYHKJZFDPK-NSHDSACASA-N 1 0 234.347 2.321 20 30 BEEDRO CO[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1CC1 ZINC000695836514 960500843 /nfs/dbraw/zinc/50/08/43/960500843.db2.gz NCNJXMDDPBTXME-PWSUYJOCSA-N 1 0 224.348 2.329 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@@H](C)O ZINC000695859763 960532382 /nfs/dbraw/zinc/53/23/82/960532382.db2.gz RUIZJWJHAFBWJQ-AXFHLTTASA-N 1 0 212.337 2.064 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3ccncc23)C1 ZINC001140804807 960588699 /nfs/dbraw/zinc/58/86/99/960588699.db2.gz GBMQPSYMYVLKQT-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001141160188 960893957 /nfs/dbraw/zinc/89/39/57/960893957.db2.gz SSWITAICKQQEPB-LLVKDONJSA-N 1 0 246.310 2.223 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(O)ccc1O ZINC001141161196 960894702 /nfs/dbraw/zinc/89/47/02/960894702.db2.gz OOYJCQLXSQXFLS-UHFFFAOYSA-N 1 0 221.300 2.496 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(O)c(OC)c(OC)c1 ZINC001141172897 960912820 /nfs/dbraw/zinc/91/28/20/960912820.db2.gz GDGUKIJEIZJTKN-UHFFFAOYSA-N 1 0 237.299 2.027 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001027748949 960924139 /nfs/dbraw/zinc/92/41/39/960924139.db2.gz PNPXTFCSQTWYMW-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C2CCC1(C[NH3+])CC2 ZINC001342283919 961028045 /nfs/dbraw/zinc/02/80/45/961028045.db2.gz HKYKKEHSKQXOHU-LKSINWNRSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CC ZINC001268051350 961059191 /nfs/dbraw/zinc/05/91/91/961059191.db2.gz XECROYNLUQDSPD-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925771181 961062070 /nfs/dbraw/zinc/06/20/70/961062070.db2.gz LIXCYLCJORSXCJ-MNOVXSKESA-N 1 0 219.332 2.354 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)CC ZINC001268058524 961103963 /nfs/dbraw/zinc/10/39/63/961103963.db2.gz DQOUIOCVTQPPME-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@H](O)c1ccccc1 ZINC000122276619 961106905 /nfs/dbraw/zinc/10/69/05/961106905.db2.gz IYGBNFOYLXNXSP-AAEUAGOBSA-N 1 0 205.301 2.274 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CCC(F)F ZINC001268075894 961129782 /nfs/dbraw/zinc/12/97/82/961129782.db2.gz VNOIYVOKHOCMSQ-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)C1CCC1 ZINC001268071425 961132580 /nfs/dbraw/zinc/13/25/80/961132580.db2.gz OSUZWGPJIOTVGI-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCOC2CCC2)c1 ZINC000690688449 961177468 /nfs/dbraw/zinc/17/74/68/961177468.db2.gz LQBRFHPIHGCVSU-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cc(C[NH3+])ccn2)CC1 ZINC001167840683 961230222 /nfs/dbraw/zinc/23/02/22/961230222.db2.gz FTRUMTGZCHWKMB-UMSPYCQHSA-N 1 0 230.315 2.035 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C ZINC001268113479 961242165 /nfs/dbraw/zinc/24/21/65/961242165.db2.gz QCCPCAGFBASUAI-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001268217901 961436661 /nfs/dbraw/zinc/43/66/61/961436661.db2.gz DZEOZONQNYJFKH-LBPRGKRZSA-N 1 0 240.391 2.337 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001481686084 961568776 /nfs/dbraw/zinc/56/87/76/961568776.db2.gz FTQCOSSAWMFVBA-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)/C(C)=C/CC)C1 ZINC001481699719 961591245 /nfs/dbraw/zinc/59/12/45/961591245.db2.gz QKASNZAOTRGNHA-XEVNVYFWSA-N 1 0 236.359 2.109 20 30 BEEDRO CCN(CCC#N)Cc1cccc2[nH]cnc21 ZINC001142687706 961624644 /nfs/dbraw/zinc/62/46/44/961624644.db2.gz WDALPHPCZMUOSB-UHFFFAOYSA-N 1 0 228.299 2.298 20 30 BEEDRO C#CCC[C@H](C)OC(=O)C12CCC[NH+](CCC1)C2 ZINC001344557520 961701026 /nfs/dbraw/zinc/70/10/26/961701026.db2.gz AHCNBYPPTBDLCO-ZDUSSCGKSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H](F)C(C)C ZINC001268391661 961707161 /nfs/dbraw/zinc/70/71/61/961707161.db2.gz COCNWOYXFLUEIJ-NEPJUHHUSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)c1ccc[nH]1 ZINC001481788472 961830668 /nfs/dbraw/zinc/83/06/68/961830668.db2.gz KPEUMMBKJGMYGN-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc(C#N)c2)C1 ZINC001225223222 961880305 /nfs/dbraw/zinc/88/03/05/961880305.db2.gz IJXCARDQYNEKFG-CQSZACIVSA-N 1 0 230.311 2.420 20 30 BEEDRO COc1cc(C)cc(CN(C)CCC#N)c1 ZINC001143147723 961889041 /nfs/dbraw/zinc/88/90/41/961889041.db2.gz QFOHCFDOUVSFSC-UHFFFAOYSA-N 1 0 218.300 2.349 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1cccc(F)c1 ZINC001225228871 961889315 /nfs/dbraw/zinc/88/93/15/961889315.db2.gz IHFMYQMKOUTPAT-CYBMUJFWSA-N 1 0 237.298 2.193 20 30 BEEDRO C#CCCCCC[NH2+][C@@H]1CCOC1(C)C ZINC000686682754 961951049 /nfs/dbraw/zinc/95/10/49/961951049.db2.gz HOLIZSMHVDLPNC-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)CC ZINC001482080427 961995358 /nfs/dbraw/zinc/99/53/58/961995358.db2.gz MDCBZWKHSQVYCI-UWVGGRQHSA-N 1 0 246.782 2.127 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2conc2CC)C1 ZINC000843424283 962003377 /nfs/dbraw/zinc/00/33/77/962003377.db2.gz YBTHAIFETQYMAK-LBPRGKRZSA-N 1 0 232.327 2.472 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)/C(C)=C\C ZINC001482092026 962013185 /nfs/dbraw/zinc/01/31/85/962013185.db2.gz PHJGBXWACBOJIU-QFQXNISHSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)C[NH2+]CC(=C)C ZINC001482130347 962050162 /nfs/dbraw/zinc/05/01/62/962050162.db2.gz DEOSMORYQNZYIO-GFCCVEGCSA-N 1 0 238.375 2.117 20 30 BEEDRO N#Cc1ccc(O[C@H]2C[NH+]3CCC2CC3)cc1F ZINC001225352932 962104424 /nfs/dbraw/zinc/10/44/24/962104424.db2.gz FKWXIJLPSVQFCL-AWEZNQCLSA-N 1 0 246.285 2.170 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1ccc(CC)cc1 ZINC001149668430 962115560 /nfs/dbraw/zinc/11/55/60/962115560.db2.gz LNXIXKGYZOSHAH-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001167940060 962162302 /nfs/dbraw/zinc/16/23/02/962162302.db2.gz OWPGSISNNUWOOT-NDBYEHHHSA-N 1 0 204.317 2.411 20 30 BEEDRO Cc1cc(C#N)c(O[C@@H](C)C[N+](C)(C)C)nc1C ZINC001225530996 962226503 /nfs/dbraw/zinc/22/65/03/962226503.db2.gz NDARCSJYLCDRFE-NSHDSACASA-N 1 0 248.350 2.044 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC001268668997 962258228 /nfs/dbraw/zinc/25/82/28/962258228.db2.gz JCHINWFQGOINJM-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001268668996 962260743 /nfs/dbraw/zinc/26/07/43/962260743.db2.gz JCHINWFQGOINJM-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC1CC1 ZINC001268677126 962269648 /nfs/dbraw/zinc/26/96/48/962269648.db2.gz PKNXNWYKVDEVIX-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H](F)C(C)C ZINC001268700133 962293711 /nfs/dbraw/zinc/29/37/11/962293711.db2.gz XAHSYROAGXNCDA-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C1CCC(C(=O)N[C@@H](C)C[NH2+]C(C)C)CC1 ZINC001268702861 962293945 /nfs/dbraw/zinc/29/39/45/962293945.db2.gz GJDCWOFZAOLGRA-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)CCCC(C)C ZINC001268705699 962301918 /nfs/dbraw/zinc/30/19/18/962301918.db2.gz RSDSBINANAMLIE-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@]1(C)CC=C(C)CC1 ZINC001151914954 962349894 /nfs/dbraw/zinc/34/98/94/962349894.db2.gz VQZCKZSTIUJKLH-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)C ZINC001151991666 962368307 /nfs/dbraw/zinc/36/83/07/962368307.db2.gz KLBHUAWKUNPLPV-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC ZINC001152013241 962369470 /nfs/dbraw/zinc/36/94/70/962369470.db2.gz JBJRVYYFQITIGE-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)CC(CC)CC)C1 ZINC001268891443 962369633 /nfs/dbraw/zinc/36/96/33/962369633.db2.gz BRVFMZYOYNHRSI-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001269165626 962489290 /nfs/dbraw/zinc/48/92/90/962489290.db2.gz HBSPPRJILOWQCH-TZMCWYRMSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001269165625 962489750 /nfs/dbraw/zinc/48/97/50/962489750.db2.gz HBSPPRJILOWQCH-OCCSQVGLSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCCCC1(C)C ZINC001152910686 962494183 /nfs/dbraw/zinc/49/41/83/962494183.db2.gz KIXLKTYUGIIRIT-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C1(C)CCC(C)CC1 ZINC001152918217 962502530 /nfs/dbraw/zinc/50/25/30/962502530.db2.gz PXSUNBIUYPSVIJ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@H](C)CC ZINC001153007225 962517193 /nfs/dbraw/zinc/51/71/93/962517193.db2.gz QLCGIXGTTKACOK-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)/C=C(/C)CC ZINC001153180204 962546293 /nfs/dbraw/zinc/54/62/93/962546293.db2.gz DSTRLACBBWTMIY-KXXVWKPMSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CCC)C1 ZINC001269227312 962551342 /nfs/dbraw/zinc/55/13/42/962551342.db2.gz KDHMSGVPBUYWOA-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC001153245614 962564520 /nfs/dbraw/zinc/56/45/20/962564520.db2.gz DQVVBZCOOFUIFR-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001279969014 962597635 /nfs/dbraw/zinc/59/76/35/962597635.db2.gz LHPHGIRSVJCTEF-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001279969015 962598460 /nfs/dbraw/zinc/59/84/60/962598460.db2.gz LHPHGIRSVJCTEF-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)C1CCCC1 ZINC001269360960 962620583 /nfs/dbraw/zinc/62/05/83/962620583.db2.gz NMUIJULMMIWGTI-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)/C(C)=C/CC)CC1 ZINC001269383472 962638682 /nfs/dbraw/zinc/63/86/82/962638682.db2.gz IJXSGCFQSKLIKF-WUXMJOGZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)/C(C)=C\CC)CC1 ZINC001269383471 962639835 /nfs/dbraw/zinc/63/98/35/962639835.db2.gz IJXSGCFQSKLIKF-SDQBBNPISA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)/C(C)=C\C ZINC001269389996 962645577 /nfs/dbraw/zinc/64/55/77/962645577.db2.gz FDPKNZGXZCEINI-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)c1cc[nH]c1 ZINC001269407210 962657719 /nfs/dbraw/zinc/65/77/19/962657719.db2.gz BTUNGNUBZKHKDJ-ZDUSSCGKSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](CC)[NH2+]CCF ZINC001269408944 962660650 /nfs/dbraw/zinc/66/06/50/962660650.db2.gz VXQZKMQYAXRKPL-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCCCN1Cc2ccccc2C[C@H]1C[NH3+] ZINC000711325319 962684069 /nfs/dbraw/zinc/68/40/69/962684069.db2.gz FMDJZNOKGNUNLF-HNNXBMFYSA-N 1 0 230.355 2.338 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C1CCC1 ZINC001154079384 962702807 /nfs/dbraw/zinc/70/28/07/962702807.db2.gz HKPHNPBRRHIHLB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO N#C[C@H]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001254635167 1169811169 /nfs/dbraw/zinc/81/11/69/1169811169.db2.gz DUSCBFMMAHPMNV-WCBMZHEXSA-N 1 0 248.717 2.342 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC(C)C ZINC001154239005 962743819 /nfs/dbraw/zinc/74/38/19/962743819.db2.gz GXEPSGJDOHLMPK-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)CCCC ZINC001154707243 962832774 /nfs/dbraw/zinc/83/27/74/962832774.db2.gz WZHDOGKWTDKIIF-UHFFFAOYSA-N 1 0 232.755 2.025 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)/C(C)=C\CC ZINC001270016297 962839147 /nfs/dbraw/zinc/83/91/47/962839147.db2.gz QEXINIFPDVMNNH-OTAKNEKHSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](O)C1CCC1 ZINC000695884514 962876404 /nfs/dbraw/zinc/87/64/04/962876404.db2.gz CWTXZKFQRVCREE-JQWIXIFHSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)/C=C(\C)C1CC1 ZINC001270177960 962890703 /nfs/dbraw/zinc/89/07/03/962890703.db2.gz OBRJUKUFKDMCNR-IEZBTEQYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000134938465 962897169 /nfs/dbraw/zinc/89/71/69/962897169.db2.gz VGXCGFDVNSFMCU-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712467576 962902933 /nfs/dbraw/zinc/90/29/33/962902933.db2.gz MSAWLRKTCMGYTQ-SOUVJXGZSA-N 1 0 234.387 2.110 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC1(C)C ZINC001482272938 962906193 /nfs/dbraw/zinc/90/61/93/962906193.db2.gz GZTXAQGFVXTEGP-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO COCC[N@H+](C(C)C)[C@@H]1CC[C@H](C#N)C1 ZINC001254670084 1169817491 /nfs/dbraw/zinc/81/74/91/1169817491.db2.gz YWWHQXMYDZAIGG-NWDGAFQWSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712819255 962983659 /nfs/dbraw/zinc/98/36/59/962983659.db2.gz UEBMMJPSLJWVQE-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C=C1CC(C)(C(=O)NC[C@H](C)C[NH2+]CCC)C1 ZINC001270507260 962994156 /nfs/dbraw/zinc/99/41/56/962994156.db2.gz NNLJMGZLYOQYLF-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)C(C)C ZINC001270534279 963008769 /nfs/dbraw/zinc/00/87/69/963008769.db2.gz IYSFNJTVJSRMQQ-CHWSQXEVSA-N 1 0 240.391 2.197 20 30 BEEDRO C=C1CC(C(=O)N[C@@]23CC[C@@]([NH2+]C)(C2)CCC3)C1 ZINC001270590256 963023298 /nfs/dbraw/zinc/02/32/98/963023298.db2.gz MTBNGYBPKGRVKW-CABCVRRESA-N 1 0 248.370 2.134 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880130047 963045273 /nfs/dbraw/zinc/04/52/73/963045273.db2.gz BUFXIZXEVSIRRA-OLZOCXBDSA-N 1 0 208.349 2.121 20 30 BEEDRO C#C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167969855 963048043 /nfs/dbraw/zinc/04/80/43/963048043.db2.gz GRNWMDLAOYGCQI-PRTUASRFSA-N 1 0 232.371 2.003 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@@H](C)C[NH2+]CC ZINC001482327502 963131248 /nfs/dbraw/zinc/13/12/48/963131248.db2.gz LMVALJMROMYKHL-WCQYABFASA-N 1 0 226.364 2.045 20 30 BEEDRO CC[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CCN(C)CC1 ZINC001254669739 1169819364 /nfs/dbraw/zinc/81/93/64/1169819364.db2.gz UQHIVIFYIVJXQP-GXTWGEPZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)[C@@H](C)C[NH2+]CC ZINC001482327498 963132156 /nfs/dbraw/zinc/13/21/56/963132156.db2.gz LMVALJMROMYKHL-AAEUAGOBSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C=C\C(C)(C)C ZINC001155822276 963177875 /nfs/dbraw/zinc/17/78/75/963177875.db2.gz MTCZQNWCEHBFQL-FPLPWBNLSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C=C\C(C)(C)C ZINC001155837026 963183364 /nfs/dbraw/zinc/18/33/64/963183364.db2.gz UTCRWCQSKLKYLA-HJWRWDBZSA-N 1 0 238.375 2.261 20 30 BEEDRO Cc1nc(N(CCC[NH3+])C(C)C)ccc1CC#N ZINC001156124063 963261281 /nfs/dbraw/zinc/26/12/81/963261281.db2.gz KDLWAFCNGHYWAV-UHFFFAOYSA-N 1 0 246.358 2.020 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C=C/C1CC1 ZINC001156179669 963274498 /nfs/dbraw/zinc/27/44/98/963274498.db2.gz ZAJYBHBDHKHXHQ-CMDGGOBGSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]CC(=C)Cl ZINC001270915475 963292454 /nfs/dbraw/zinc/29/24/54/963292454.db2.gz XLWYUUHAAVNHMO-LLVKDONJSA-N 1 0 244.766 2.142 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@@H](C)C1CC1 ZINC001156273584 963299367 /nfs/dbraw/zinc/29/93/67/963299367.db2.gz BVNSNEANGLFZLS-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1ccc(C#N)c(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001226752809 963333491 /nfs/dbraw/zinc/33/34/91/963333491.db2.gz BDGUZVILGFUDHW-HNNXBMFYSA-N 1 0 242.322 2.340 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C=C(CC)CC ZINC001156477562 963365523 /nfs/dbraw/zinc/36/55/23/963365523.db2.gz YPFSLNRJTFYKST-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO N#Cc1ccc(CCNc2cccc(N)[nH+]2)cc1 ZINC001156835508 963473196 /nfs/dbraw/zinc/47/31/96/963473196.db2.gz VUYXIRLPFIWZET-UHFFFAOYSA-N 1 0 238.294 2.190 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)CCC(=C)C)CC1 ZINC001227588181 963539955 /nfs/dbraw/zinc/53/99/55/963539955.db2.gz IEPIYWJGZFQFMW-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCc2cccnc21)C(C)C ZINC000300862516 963560649 /nfs/dbraw/zinc/56/06/49/963560649.db2.gz GOQOCIZHHHUMEQ-QWHCGFSZSA-N 1 0 214.312 2.316 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccc(C#N)c(F)c1 ZINC000713921874 963566362 /nfs/dbraw/zinc/56/63/62/963566362.db2.gz AOUNAMFPZBBTDG-SECBINFHSA-N 1 0 222.263 2.026 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000320634003 963582970 /nfs/dbraw/zinc/58/29/70/963582970.db2.gz LDUPYBSRIJGIJI-AWEZNQCLSA-N 1 0 248.370 2.169 20 30 BEEDRO C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C(C)C ZINC001271690739 963583447 /nfs/dbraw/zinc/58/34/47/963583447.db2.gz ZMTBHVHSWPRNTO-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)CC(C)C)C(C)C ZINC001482511890 963614979 /nfs/dbraw/zinc/61/49/79/963614979.db2.gz IVACRGHSYRVOCS-CYBMUJFWSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)C)C1 ZINC001088266201 963616050 /nfs/dbraw/zinc/61/60/50/963616050.db2.gz WLNQVTVBBMOERA-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CNC(=O)C(C)C)C(C)C ZINC001482514886 963617779 /nfs/dbraw/zinc/61/77/79/963617779.db2.gz WPPQHLQGSINZJQ-LLVKDONJSA-N 1 0 246.782 2.125 20 30 BEEDRO N=C(Nc1[nH+]ccc2[nH]ccc21)c1nccs1 ZINC001157491728 963638240 /nfs/dbraw/zinc/63/82/40/963638240.db2.gz YNDDQNMBMGMSIO-UHFFFAOYSA-N 1 0 243.295 2.056 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)CC(C)(C)C)C(C)C ZINC001271808387 963647594 /nfs/dbraw/zinc/64/75/94/963647594.db2.gz GYPCDGIZEVYXAD-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC001256637955 1169827592 /nfs/dbraw/zinc/82/75/92/1169827592.db2.gz UIYLASXQRPOCBP-ZDUSSCGKSA-N 1 0 229.323 2.165 20 30 BEEDRO C=CCCC(=O)N(C)CC[N@H+](C)CCC1CC1 ZINC001271977246 963725620 /nfs/dbraw/zinc/72/56/20/963725620.db2.gz KUAATIGNKZCOHE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CCCCCCCCN1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001204810750 963805089 /nfs/dbraw/zinc/80/50/89/963805089.db2.gz ZZOPOWPYUGCBFC-NEPJUHHUSA-N 1 0 216.344 2.328 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(N(C)C)cc[nH+]1 ZINC001158737829 963911332 /nfs/dbraw/zinc/91/13/32/963911332.db2.gz LGRAPEZSCLYLAQ-ZDUSSCGKSA-N 1 0 217.316 2.361 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@]1(C)CC=CCC1 ZINC001158761032 963917343 /nfs/dbraw/zinc/91/73/43/963917343.db2.gz DRAQFZPICVYIFN-CQSZACIVSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC(C)(C)CC ZINC001158816066 963933827 /nfs/dbraw/zinc/93/38/27/963933827.db2.gz OSBIITBORGKOSA-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CC1(Nc2cc(F)cc(CC#N)c2)CC[NH2+]CC1 ZINC001168188998 963949391 /nfs/dbraw/zinc/94/93/91/963949391.db2.gz HXTKFWXUWZVHTK-UHFFFAOYSA-N 1 0 247.317 2.446 20 30 BEEDRO C=C(C)C[N@H+]1CC=C(CCNC(=O)CC)CC1 ZINC001159007946 963973354 /nfs/dbraw/zinc/97/33/54/963973354.db2.gz GCEXVOQZCPURNC-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCC(=C)C ZINC001159032447 963978564 /nfs/dbraw/zinc/97/85/64/963978564.db2.gz FVSJNKKHGBVSHK-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCc1cc(C)cnc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168226930 964006112 /nfs/dbraw/zinc/00/61/12/964006112.db2.gz HKRKWUUYGICQHB-OLZOCXBDSA-N 1 0 249.333 2.230 20 30 BEEDRO Cc1cnc(NCC(C)(C)S)c(/C=N/O)c1 ZINC001159267816 964042790 /nfs/dbraw/zinc/04/27/90/964042790.db2.gz HLTQEBGRRONUGU-MKMNVTDBSA-N 1 0 239.344 2.318 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH+]1CC(CC#N)C1)C2 ZINC001168264338 964106921 /nfs/dbraw/zinc/10/69/21/964106921.db2.gz RSOCAPFWEHZZKI-CQSZACIVSA-N 1 0 242.322 2.008 20 30 BEEDRO N#Cc1c(F)cccc1NC1=C[NH2+]CCC1 ZINC001159477307 964108765 /nfs/dbraw/zinc/10/87/65/964108765.db2.gz DRCKTJGMBYCHQV-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO C=CC[N@H+]1CC=C(CCNC(=O)/C(C)=C/C)CC1 ZINC001159752850 964184646 /nfs/dbraw/zinc/18/46/46/964184646.db2.gz KTCQXZVKUCPPAM-WLRTZDKTSA-N 1 0 248.370 2.277 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)/C=C(/C)CC ZINC001482829625 964217681 /nfs/dbraw/zinc/21/76/81/964217681.db2.gz CTZBSGGKIHPSBN-WEHUKYGOSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)/C=C(/C)CC ZINC001482829624 964218637 /nfs/dbraw/zinc/21/86/37/964218637.db2.gz CTZBSGGKIHPSBN-NLYDNYMLSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)/C=C(/C)CC ZINC001126758020 964220925 /nfs/dbraw/zinc/22/09/25/964220925.db2.gz LFFLEHHMWFUNGY-YLGBQOPLSA-N 1 0 238.375 2.403 20 30 BEEDRO CC(C)([NH3+])CNc1nccc2ccc(C#N)cc21 ZINC001160025426 964239358 /nfs/dbraw/zinc/23/93/58/964239358.db2.gz SBKSOGCCTYMNKT-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO Cc1nc(NC[C@H]2CCCC[NH2+]2)ccc1CC#N ZINC001160150756 964260275 /nfs/dbraw/zinc/26/02/75/964260275.db2.gz LNISMUOCLAXNLL-CYBMUJFWSA-N 1 0 244.342 2.010 20 30 BEEDRO N#Cc1c(F)cc(F)cc1NC1=C[NH2+]CCC1 ZINC001160234272 964271587 /nfs/dbraw/zinc/27/15/87/964271587.db2.gz OKPXEEUNHOKTJU-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)C(C)C ZINC001482982141 964277052 /nfs/dbraw/zinc/27/70/52/964277052.db2.gz WNBUNZGPLIIPKN-SBDDDAINSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)CC1=CCCCC1 ZINC001482988669 964284467 /nfs/dbraw/zinc/28/44/67/964284467.db2.gz PMUPCTFMTLKPLQ-SREVYHEPSA-N 1 0 248.370 2.325 20 30 BEEDRO CC(C)C[C@@H](C#N)Nc1ccc2c(n1)CC[NH2+]C2 ZINC001160355866 964287240 /nfs/dbraw/zinc/28/72/40/964287240.db2.gz PSVVPDBZGHLEKC-LBPRGKRZSA-N 1 0 244.342 2.077 20 30 BEEDRO CC(C)C[C@@H](C#N)Nc1cc(C[NH+](C)C)ccn1 ZINC001160366038 964291557 /nfs/dbraw/zinc/29/15/57/964291557.db2.gz VSVDYILVQUXNPY-ZDUSSCGKSA-N 1 0 246.358 2.493 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC(F)(F)C[C@@H]1C ZINC000697660518 964434505 /nfs/dbraw/zinc/43/45/05/964434505.db2.gz LIPAGLWDXOZMIF-VHSXEESVSA-N 1 0 232.274 2.035 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]1CNc1ccc(C#N)cn1 ZINC001160951586 964456194 /nfs/dbraw/zinc/45/61/94/964456194.db2.gz IVOOCTDSCZOQEX-ZDUSSCGKSA-N 1 0 242.326 2.016 20 30 BEEDRO N#CC1(NC2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001168358903 964542668 /nfs/dbraw/zinc/54/26/68/964542668.db2.gz XAWBDSOYWNDWEY-UHFFFAOYSA-N 1 0 247.386 2.287 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@](C)(F)CCCC ZINC001161301894 964567497 /nfs/dbraw/zinc/56/74/97/964567497.db2.gz ZUAMEJHWSSFFRH-CYBMUJFWSA-N 1 0 244.354 2.187 20 30 BEEDRO C=CCC(C)(C)C(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001161333954 964573573 /nfs/dbraw/zinc/57/35/73/964573573.db2.gz YOLXONCSZVFQIT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)C(CC)CC ZINC001161440030 964606617 /nfs/dbraw/zinc/60/66/17/964606617.db2.gz YCHMUDMLUBQMGP-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C[NH+](C)CC[C@@H](OCC#N)c1ccccc1 ZINC001224383104 964610900 /nfs/dbraw/zinc/61/09/00/964610900.db2.gz VUPAWJNPVFATLM-CYBMUJFWSA-N 1 0 218.300 2.220 20 30 BEEDRO CC(C)C[C@H](C#N)NC1CC[NH+](CC2CC2)CC1 ZINC001168363165 964666598 /nfs/dbraw/zinc/66/65/98/964666598.db2.gz UXAFAKXCFMNGCO-OAHLLOKOSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H](CCNCc1ccc(C#N)cc1F)[NH+](C)C ZINC000697906727 964673251 /nfs/dbraw/zinc/67/32/51/964673251.db2.gz ZXFKVNGGRIJQKX-NSHDSACASA-N 1 0 249.333 2.127 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@]3(CCOC3)C2)CC1 ZINC001256963036 1169847181 /nfs/dbraw/zinc/84/71/81/1169847181.db2.gz BFNOMVCXOHALEF-JXQTWKCFSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CC(CC)CC ZINC001483177788 964801204 /nfs/dbraw/zinc/80/12/04/964801204.db2.gz AQEPCLQXRRVCGR-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC1CSC1 ZINC000697965379 964804243 /nfs/dbraw/zinc/80/42/43/964804243.db2.gz XYEFHMXQHYHIQL-UHFFFAOYSA-N 1 0 247.363 2.151 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CC1CCCC1 ZINC001483205209 964820057 /nfs/dbraw/zinc/82/00/57/964820057.db2.gz DGNXKYFXXZELAX-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1cc(NCC(C)(C)[NH+](C)C)ncc1C#N ZINC001161947938 964833511 /nfs/dbraw/zinc/83/35/11/964833511.db2.gz SSTJZPRXRSAUHD-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@]3(CCOC3)C2)CC1 ZINC001256963039 1169851006 /nfs/dbraw/zinc/85/10/06/1169851006.db2.gz BFNOMVCXOHALEF-RUXDESIVSA-N 1 0 234.343 2.181 20 30 BEEDRO N#CC1(Nc2ccc([C@H]3CCC[NH2+]3)cn2)CCC1 ZINC001162308512 964920850 /nfs/dbraw/zinc/92/08/50/964920850.db2.gz ITLGTOSYZDZPIT-GFCCVEGCSA-N 1 0 242.326 2.364 20 30 BEEDRO N#Cc1cnccc1Nc1cc[nH+]c2c1CCC2 ZINC001214007139 964922591 /nfs/dbraw/zinc/92/25/91/964922591.db2.gz PQXMRCARWWQPSU-UHFFFAOYSA-N 1 0 236.278 2.002 20 30 BEEDRO N#CC1(Nc2cccc3c2CC[C@@H]3[NH3+])CCC1 ZINC001162316124 964928972 /nfs/dbraw/zinc/92/89/72/964928972.db2.gz ZXIVGNOIPNACAR-LBPRGKRZSA-N 1 0 227.311 2.491 20 30 BEEDRO CC(C)c1ccc(C#N)c(N[C@H]2C[C@@](C)([NH3+])C2)n1 ZINC001162325202 964931948 /nfs/dbraw/zinc/93/19/48/964931948.db2.gz RYGALGVLIPWHJU-VDISTLRHSA-N 1 0 244.342 2.368 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)=C1CCC1 ZINC001507074528 964941236 /nfs/dbraw/zinc/94/12/36/964941236.db2.gz FWLJMWQMGQHTOB-NSHDSACASA-N 1 0 236.359 2.109 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)c(C#N)cn1 ZINC001162389913 964948931 /nfs/dbraw/zinc/94/89/31/964948931.db2.gz ITGHEMYVENMDTD-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO N#Cc1cc(C#N)cc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162402120 964958904 /nfs/dbraw/zinc/95/89/04/964958904.db2.gz PBTYQRQDOMFPKZ-CHWSQXEVSA-N 1 0 240.310 2.112 20 30 BEEDRO CCCC[N@H+](C)CCNc1cc(C)c(C#N)cn1 ZINC001162471642 964989184 /nfs/dbraw/zinc/98/91/84/964989184.db2.gz ULWGAJDCZWJTKW-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CC1(C)CC1 ZINC001483362196 964990955 /nfs/dbraw/zinc/99/09/55/964990955.db2.gz CGRYTMGMBLJFEO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC1(Nc2cccc(N)[nH+]2)CCCCC1 ZINC001162478471 964994564 /nfs/dbraw/zinc/99/45/64/964994564.db2.gz GJVCHPJVBKSKLL-UHFFFAOYSA-N 1 0 215.300 2.412 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC ZINC001483430315 965008836 /nfs/dbraw/zinc/00/88/36/965008836.db2.gz MDWOAJCISIWTRN-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H]1CCC[C@H]1OCC[NH+](CC)CC ZINC001224928870 965102911 /nfs/dbraw/zinc/10/29/11/965102911.db2.gz XHZXOMNRHYLUID-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO Cc1cc(CC#N)ccc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162676537 965109069 /nfs/dbraw/zinc/10/90/69/965109069.db2.gz SMEBDYWVCNFOCS-BXUZGUMPSA-N 1 0 229.327 2.223 20 30 BEEDRO CCC(CC)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001257286663 1169860966 /nfs/dbraw/zinc/86/09/66/1169860966.db2.gz CQHXWSQRJZZCJT-UHFFFAOYSA-N 1 0 215.300 2.452 20 30 BEEDRO COc1cccc(CC[NH2+]C#C[Si](C)(C)C)n1 ZINC001162741990 965156707 /nfs/dbraw/zinc/15/67/07/965156707.db2.gz AOCAUFJMGPRDHE-UHFFFAOYSA-N 1 0 248.402 2.061 20 30 BEEDRO C[Si](C)(C)C#CN1C[C@@H]([NH3+])Cc2ccccc21 ZINC001162847473 965192663 /nfs/dbraw/zinc/19/26/63/965192663.db2.gz QWKCUHCGPSLWCZ-ZDUSSCGKSA-N 1 0 244.414 2.215 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000166528715 965198067 /nfs/dbraw/zinc/19/80/67/965198067.db2.gz NTHSRXUGGXEKRR-LLVKDONJSA-N 1 0 210.280 2.346 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC ZINC001272270930 965233927 /nfs/dbraw/zinc/23/39/27/965233927.db2.gz KQSQATHFKWVATB-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H](C)Nc1cc(OC(C)C)cc[nH+]1 ZINC001163160962 965272990 /nfs/dbraw/zinc/27/29/90/965272990.db2.gz LGFQSRAPBYDDRP-JTQLQIEISA-N 1 0 204.273 2.302 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c1 ZINC001231657890 965274845 /nfs/dbraw/zinc/27/48/45/965274845.db2.gz NXXFTXFZHZWZNR-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)c(O)c1 ZINC001231845607 965288264 /nfs/dbraw/zinc/28/82/64/965288264.db2.gz CLIOZXJEFMDWRW-LBPRGKRZSA-N 1 0 230.311 2.355 20 30 BEEDRO N#CCNc1ccc2c(c1)C1(CC2)CC[NH2+]CC1 ZINC001163183597 965289172 /nfs/dbraw/zinc/28/91/72/965289172.db2.gz SQYSOLFRGWFRJB-UHFFFAOYSA-N 1 0 241.338 2.189 20 30 BEEDRO N#CCNc1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001163187292 965290292 /nfs/dbraw/zinc/29/02/92/965290292.db2.gz FRPRKLKEQGFHFF-UHFFFAOYSA-N 1 0 233.290 2.357 20 30 BEEDRO N#Cc1ccc(N[C@H](C[NH3+])c2ccccc2)nc1 ZINC001163292852 965325208 /nfs/dbraw/zinc/32/52/08/965325208.db2.gz WUORXOINRAETCZ-CYBMUJFWSA-N 1 0 238.294 2.065 20 30 BEEDRO C#CCCC1(CCNc2[nH+]cc(C)cc2N)N=N1 ZINC001163381444 965383552 /nfs/dbraw/zinc/38/35/52/965383552.db2.gz YRKYWVVAASQLBR-UHFFFAOYSA-N 1 0 243.314 2.350 20 30 BEEDRO N#Cc1ccc(F)c(N[C@H]2C[NH+]3CCC2CC3)c1 ZINC001163387981 965388136 /nfs/dbraw/zinc/38/81/36/965388136.db2.gz MNUYWIHYUUENEJ-AWEZNQCLSA-N 1 0 245.301 2.203 20 30 BEEDRO C#CCOCCOCC[NH2+][C@H](CC)CCCC ZINC001257413062 1169866518 /nfs/dbraw/zinc/86/65/18/1169866518.db2.gz RWXSZURQJSACNW-CQSZACIVSA-N 1 0 241.375 2.211 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C1(C)CCCC1 ZINC001163498297 965418374 /nfs/dbraw/zinc/41/83/74/965418374.db2.gz VJZHFBZJNNIPAO-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232962917 965444731 /nfs/dbraw/zinc/44/47/31/965444731.db2.gz UHEXQIQNKPSFSI-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](CC[NH2+]C(C)C)C1 ZINC001272375521 965561156 /nfs/dbraw/zinc/56/11/56/965561156.db2.gz FWRXCOBLSOUSSB-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(=O)C=C(C)Nc1cccn2c[nH+]cc12 ZINC001163741788 965562226 /nfs/dbraw/zinc/56/22/26/965562226.db2.gz GOWHQFXJSVANQO-TWGQIWQCSA-N 1 0 215.256 2.239 20 30 BEEDRO CC(=O)C=C(C)Nc1cc(C)[nH+]c(C)c1 ZINC001163739176 965562632 /nfs/dbraw/zinc/56/26/32/965562632.db2.gz MYWXPPBBJQGLNS-YVMONPNESA-N 1 0 204.273 2.025 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1ccccc1CS ZINC001163782652 965586609 /nfs/dbraw/zinc/58/66/09/965586609.db2.gz NSDKVZGWVJSCCN-JTQLQIEISA-N 1 0 224.373 2.478 20 30 BEEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2CC ZINC001272437363 965599393 /nfs/dbraw/zinc/59/93/93/965599393.db2.gz JGCUDQBJEHXCFD-AWEZNQCLSA-N 1 0 236.359 2.039 20 30 BEEDRO C#CCCCCCC(=O)NCCC[NH2+]C(C)C ZINC001163977683 965669000 /nfs/dbraw/zinc/66/90/00/965669000.db2.gz PGYAELJQBPBWAQ-UHFFFAOYSA-N 1 0 238.375 2.074 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1CCc2cc(F)ccc2C1 ZINC001168447362 965721342 /nfs/dbraw/zinc/72/13/42/965721342.db2.gz WQKFOTFVMFJRQO-INIZCTEOSA-N 1 0 241.309 2.251 20 30 BEEDRO CCCC[C@@H](CCC)CNC(=[NH2+])N(C)C ZINC000176493055 965791166 /nfs/dbraw/zinc/79/11/66/965791166.db2.gz HJELTLSOJRKRIG-LLVKDONJSA-N 1 0 213.369 2.469 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]CCCC ZINC001164224039 965803712 /nfs/dbraw/zinc/80/37/12/965803712.db2.gz ZQOICFWYPWMOHJ-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO N#Cc1cc(F)ccc1CN1CCC[C@H]([NH3+])CC1 ZINC001205110291 965835582 /nfs/dbraw/zinc/83/55/82/965835582.db2.gz QWZJXYFODRRQJV-AWEZNQCLSA-N 1 0 247.317 2.011 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[NH2+]CCCF ZINC001164345640 965853465 /nfs/dbraw/zinc/85/34/65/965853465.db2.gz DZHHFUZPCXZBFW-LBPRGKRZSA-N 1 0 244.354 2.044 20 30 BEEDRO C=C(C)CCc1ccccc1NOCC[NH3+] ZINC001164429800 965880680 /nfs/dbraw/zinc/88/06/80/965880680.db2.gz RNALEANMAIKYPD-UHFFFAOYSA-N 1 0 220.316 2.498 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C1CC1 ZINC001272598920 965959883 /nfs/dbraw/zinc/95/98/83/965959883.db2.gz BIGHDFALRUJGTN-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)C(C)(F)F ZINC001272611765 966017795 /nfs/dbraw/zinc/01/77/95/966017795.db2.gz XJGZPMGGKFLYMG-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCCCCCN1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235166973 966022218 /nfs/dbraw/zinc/02/22/18/966022218.db2.gz XMYFJMOLXAMDQH-QWHCGFSZSA-N 1 0 208.349 2.156 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc(C#N)c1 ZINC000699772555 966082161 /nfs/dbraw/zinc/08/21/61/966082161.db2.gz DNCDAGNTHRZNOA-UHIISALHSA-N 1 0 230.311 2.244 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc(C#N)c1 ZINC000699772550 966083984 /nfs/dbraw/zinc/08/39/84/966083984.db2.gz DNCDAGNTHRZNOA-MJVIPROJSA-N 1 0 230.311 2.244 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc(C#N)c1 ZINC000699772547 966085634 /nfs/dbraw/zinc/08/56/34/966085634.db2.gz DNCDAGNTHRZNOA-COPLHBTASA-N 1 0 230.311 2.244 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001165409437 966097934 /nfs/dbraw/zinc/09/79/34/966097934.db2.gz KCKRDWUFLMQZNT-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001165409435 966098140 /nfs/dbraw/zinc/09/81/40/966098140.db2.gz KCKRDWUFLMQZNT-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001165409436 966098895 /nfs/dbraw/zinc/09/88/95/966098895.db2.gz KCKRDWUFLMQZNT-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1cccc(F)c1 ZINC001168501031 966104143 /nfs/dbraw/zinc/10/41/43/966104143.db2.gz OJULAFNUJCDWFA-ZDUSSCGKSA-N 1 0 229.298 2.325 20 30 BEEDRO C=C(C[NH2+][C@H]1COC[C@@H]1C)c1ccccc1 ZINC000699839974 966124764 /nfs/dbraw/zinc/12/47/64/966124764.db2.gz UDCAOVYKDVMHSX-JSGCOSHPSA-N 1 0 217.312 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C=CC[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001166024917 966233541 /nfs/dbraw/zinc/23/35/41/966233541.db2.gz HLOGZVKKONWLJE-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C1(C(C)C)CC1 ZINC001166270412 966263433 /nfs/dbraw/zinc/26/34/33/966263433.db2.gz SJYUJOUGRKNZEU-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C1(C(C)C)CC1 ZINC001166262857 966264062 /nfs/dbraw/zinc/26/40/62/966264062.db2.gz JXYZRZZFCCLSSK-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CCN(CCC#N)c1[nH+]ccc2[nH]ccc21 ZINC001166592812 966315448 /nfs/dbraw/zinc/31/54/48/966315448.db2.gz LLSBEVQADXVSIT-UHFFFAOYSA-N 1 0 214.272 2.303 20 30 BEEDRO N#Cc1cc(Cl)ccc1CN1CCC[C@@H]1C[NH3+] ZINC001236251658 966320314 /nfs/dbraw/zinc/32/03/14/966320314.db2.gz WOFIRSWMSZYLOZ-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CCCCCCCN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236286215 966336392 /nfs/dbraw/zinc/33/63/92/966336392.db2.gz LZXUFZRHXRUZGA-CHWSQXEVSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CCCCCCCN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236286228 966339429 /nfs/dbraw/zinc/33/94/29/966339429.db2.gz LZXUFZRHXRUZGA-QWHCGFSZSA-N 1 0 208.349 2.027 20 30 BEEDRO N#CCc1cc(-c2cccc3c2CC[NH2+]C3)ccn1 ZINC001236355892 966372841 /nfs/dbraw/zinc/37/28/41/966372841.db2.gz VCPPQMKTQYFYOM-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)C(C)=C2CCC2)C1 ZINC001484046403 966422281 /nfs/dbraw/zinc/42/22/81/966422281.db2.gz RDNZKKZBWIJDGZ-HNNXBMFYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCOc1ccccc1CN1CC(C)(C[NH3+])C1 ZINC001206718688 966422853 /nfs/dbraw/zinc/42/28/53/966422853.db2.gz ZLGXFNUGUNPRLB-UHFFFAOYSA-N 1 0 246.354 2.032 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)CC)C1 ZINC001484079194 966427870 /nfs/dbraw/zinc/42/78/70/966427870.db2.gz CWPSEPFLCDNXJE-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CCc1cc(NCCc2ccsc2)cc[nH+]1 ZINC001166850563 966431550 /nfs/dbraw/zinc/43/15/50/966431550.db2.gz NPEXWJLPGIMACA-UHFFFAOYSA-N 1 0 243.335 2.286 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)CCC(C)C)CCC1 ZINC001484624272 966496749 /nfs/dbraw/zinc/49/67/49/966496749.db2.gz VVZGJUKYCVKLOL-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1CC ZINC001167028916 966528289 /nfs/dbraw/zinc/52/82/89/966528289.db2.gz GPXUYSGIQAYPRX-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1CC=CC1 ZINC001272695249 966533558 /nfs/dbraw/zinc/53/35/58/966533558.db2.gz JRPIYMLXEBMYCH-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](C)C1CCC1 ZINC001484994362 966534823 /nfs/dbraw/zinc/53/48/23/966534823.db2.gz UKLSRINQCPIWQI-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC=C ZINC001485052051 966535811 /nfs/dbraw/zinc/53/58/11/966535811.db2.gz UMQPJTOKBICCMX-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCC(=O)NC1CC(C[NH2+]CC(C)C)C1 ZINC001485089222 966540270 /nfs/dbraw/zinc/54/02/70/966540270.db2.gz QNWGORIBFUXIHY-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC(C)C ZINC001485121977 966550359 /nfs/dbraw/zinc/55/03/59/966550359.db2.gz USWUFNGFTCOYMZ-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC ZINC001485142371 966552568 /nfs/dbraw/zinc/55/25/68/966552568.db2.gz NOYNPRMTGHKXRW-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H](C)[N@H+](C)CC(=C)C ZINC001485309045 966579633 /nfs/dbraw/zinc/57/96/33/966579633.db2.gz MRAKLYZWKBOTIG-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001485357824 966592674 /nfs/dbraw/zinc/59/26/74/966592674.db2.gz UVUZNDORVJZWNH-CHWSQXEVSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CCN(C)C(C)=O)C(C)C ZINC001485428426 966602137 /nfs/dbraw/zinc/60/21/37/966602137.db2.gz ZLVIPYWUVRIHKU-GFCCVEGCSA-N 1 0 246.782 2.222 20 30 BEEDRO C=CCCC[NH2+][C@H](CCN(C)C(C)=O)C(C)C ZINC001485427799 966603027 /nfs/dbraw/zinc/60/30/27/966603027.db2.gz TUAUYYXGHOPDSZ-CQSZACIVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)CC)C1 ZINC001485492691 966607297 /nfs/dbraw/zinc/60/72/97/966607297.db2.gz ZFYTVYIGZZZDEE-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)CCC)C1 ZINC001485495314 966608455 /nfs/dbraw/zinc/60/84/55/966608455.db2.gz FMYOVGLDCRCRGA-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@H](NC(C)=O)C(C)(C)C1 ZINC001485559613 966613713 /nfs/dbraw/zinc/61/37/13/966613713.db2.gz ZJZDEHSUUYZHTO-YPMHNXCESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC001485716660 966629231 /nfs/dbraw/zinc/62/92/31/966629231.db2.gz ASKVXDGTFKQZBS-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCN1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000183761141 966673850 /nfs/dbraw/zinc/67/38/50/966673850.db2.gz OUWPWOWADMPRES-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C[C@H](C)C(C)C ZINC001124681761 966690175 /nfs/dbraw/zinc/69/01/75/966690175.db2.gz RFVTVDYPLFUYLU-JTQLQIEISA-N 1 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244.338 2.151 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCCN2C)cc1 ZINC001203935021 966825657 /nfs/dbraw/zinc/82/56/57/966825657.db2.gz KRSCVBUAZGHNBQ-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccc[nH]2)C1 ZINC001204010605 966846885 /nfs/dbraw/zinc/84/68/85/966846885.db2.gz RGRGSIANFOUASB-NSHDSACASA-N 1 0 203.289 2.140 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001239336129 966862621 /nfs/dbraw/zinc/86/26/21/966862621.db2.gz ACDCCYACDDKJKG-NEPJUHHUSA-N 1 0 242.363 2.372 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC)c(OCC)c1 ZINC001204191480 966922254 /nfs/dbraw/zinc/92/22/54/966922254.db2.gz UIOFVHCWXDDONN-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2O)CC1 ZINC001204279047 966959794 /nfs/dbraw/zinc/95/97/94/966959794.db2.gz OOBUWHDHJVEQKR-LLVKDONJSA-N 1 0 246.310 2.223 20 30 BEEDRO C=CCOc1ccc(C[N@H+](C)CC2COC2)cc1 ZINC001204303402 966964305 /nfs/dbraw/zinc/96/43/05/966964305.db2.gz GPPHMPJZJGWPBD-UHFFFAOYSA-N 1 0 247.338 2.330 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)C[C@@H](C)CC ZINC001492373773 1169899744 /nfs/dbraw/zinc/89/97/44/1169899744.db2.gz WTBHDEPRWCXENO-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@H]1O ZINC001204368295 966979797 /nfs/dbraw/zinc/97/97/97/966979797.db2.gz MWJVJCFMMQTZDI-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001204372324 966983735 /nfs/dbraw/zinc/98/37/35/966983735.db2.gz AUOCLEPUWRWZJF-IHRRRGAJSA-N 1 0 230.286 2.491 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000903108780 967072908 /nfs/dbraw/zinc/07/29/08/967072908.db2.gz GYFVVCLCXIDEMN-GHMZBOCLSA-N 1 0 204.317 2.458 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)OCc1ccccc1 ZINC001204638675 967108509 /nfs/dbraw/zinc/10/85/09/967108509.db2.gz UIQHTMUUKBNIIP-CQSZACIVSA-N 1 0 233.335 2.192 20 30 BEEDRO N#Cc1cc(Cl)ccc1CN1CCC[NH2+]CC1 ZINC001204675807 967131041 /nfs/dbraw/zinc/13/10/41/967131041.db2.gz YKXHUDIHIUZHEX-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO N#Cc1ccc(CN2CCC[NH2+]CC2)cc1Cl ZINC001204675498 967131223 /nfs/dbraw/zinc/13/12/23/967131223.db2.gz QWJQDYCEVVBOJN-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO N#CCc1c(F)cccc1-c1cncc(C[NH3+])c1 ZINC001239808479 967205216 /nfs/dbraw/zinc/20/52/16/967205216.db2.gz AFRFUFFHQQRTFW-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc2[nH]ccc21 ZINC001116640139 967231305 /nfs/dbraw/zinc/23/13/05/967231305.db2.gz IDUQYIYKRUWOOX-LBPRGKRZSA-N 1 0 230.311 2.459 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc2[nH]ccc21 ZINC001116640138 967234191 /nfs/dbraw/zinc/23/41/91/967234191.db2.gz IDUQYIYKRUWOOX-GFCCVEGCSA-N 1 0 230.311 2.459 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001278547131 967244287 /nfs/dbraw/zinc/24/42/87/967244287.db2.gz MPHBBGKXBQXEMI-CHWSQXEVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)C)C1 ZINC001278547132 967245105 /nfs/dbraw/zinc/24/51/05/967245105.db2.gz MPHBBGKXBQXEMI-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC001204984069 967274440 /nfs/dbraw/zinc/27/44/40/967274440.db2.gz FMWJFKSQASVVBM-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001204984071 967275829 /nfs/dbraw/zinc/27/58/29/967275829.db2.gz FMWJFKSQASVVBM-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C=C(CC)CC ZINC001485866874 967301304 /nfs/dbraw/zinc/30/13/04/967301304.db2.gz MIEIXNCWSLFNFW-LBPRGKRZSA-N 1 0 238.375 2.355 20 30 BEEDRO C[N@@H+]1CCC=C(Cc2ccc(C#N)cc2)C1 ZINC001250051970 967311528 /nfs/dbraw/zinc/31/15/28/967311528.db2.gz LSJIAQYGWUZEDZ-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCCC[C@@H](C)CC ZINC001128158843 967340495 /nfs/dbraw/zinc/34/04/95/967340495.db2.gz WZPVUXYLNFWLNG-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)CC[NH2+]CCCC[C@@H](C)NC(C)=O ZINC001168688245 967355019 /nfs/dbraw/zinc/35/50/19/967355019.db2.gz RFANDWNDGQHINC-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)CC[NH2+]CCCC[C@H](C)NC(C)=O ZINC001168688246 967356006 /nfs/dbraw/zinc/35/60/06/967356006.db2.gz RFANDWNDGQHINC-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CC[NH2+]CCN1Cc2ccccc2[C@H](C)C1 ZINC001205164877 967406770 /nfs/dbraw/zinc/40/67/70/967406770.db2.gz UHKJYDFGAXPCPU-CYBMUJFWSA-N 1 0 230.355 2.381 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001278553429 967433024 /nfs/dbraw/zinc/43/30/24/967433024.db2.gz XBJOZHBGURRQFH-TZMCWYRMSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(OC)cc1C ZINC000921966104 967436847 /nfs/dbraw/zinc/43/68/47/967436847.db2.gz BYQIJFXMRAQOKE-CYBMUJFWSA-N 1 0 249.354 2.278 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CCC(=C)C ZINC001128246387 967438933 /nfs/dbraw/zinc/43/89/33/967438933.db2.gz XELRXMXFBNPTKW-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CC[C@@H](C)F ZINC001128245643 967440139 /nfs/dbraw/zinc/44/01/39/967440139.db2.gz DNZQGAYZIIXSDF-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001128246407 967440642 /nfs/dbraw/zinc/44/06/42/967440642.db2.gz YBOPKVNWFAISJN-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C[NH+](C)CCc1ccc(Cl)c(C#N)c1 ZINC001250157813 967449885 /nfs/dbraw/zinc/44/98/85/967449885.db2.gz AWGTZTNIVFDZRH-UHFFFAOYSA-N 1 0 208.692 2.316 20 30 BEEDRO C#CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168699686 967466381 /nfs/dbraw/zinc/46/63/81/967466381.db2.gz NLFJZWJNPVXWKU-LLVKDONJSA-N 1 0 219.715 2.420 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CC1CCCC1 ZINC001128408854 967544781 /nfs/dbraw/zinc/54/47/81/967544781.db2.gz JBUNMMQIRXIRBY-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CC#Cc1cncc(CC[NH+]2CCCCC2)c1 ZINC001250241737 967550791 /nfs/dbraw/zinc/55/07/91/967550791.db2.gz KSNCUDQQPBEKAW-UHFFFAOYSA-N 1 0 228.339 2.481 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](C)[C@H](NC(C)=O)C1 ZINC001205694587 967785982 /nfs/dbraw/zinc/78/59/82/967785982.db2.gz QVGHNPVTNUWDOE-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2=CCCC2)C1 ZINC001033794705 967812899 /nfs/dbraw/zinc/81/28/99/967812899.db2.gz GQWQNXFGOJVQBI-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC)C1 ZINC001205753056 967813004 /nfs/dbraw/zinc/81/30/04/967813004.db2.gz FDSTXSWHOAEYDZ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@]2(C)C=CCC2)CCC1 ZINC001273134780 967814407 /nfs/dbraw/zinc/81/44/07/967814407.db2.gz XRFAJGOQSIDTQM-CQSZACIVSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@@]2(C)C=CCC2)CCC1 ZINC001273134778 967816280 /nfs/dbraw/zinc/81/62/80/967816280.db2.gz XRFAJGOQSIDTQM-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cccc(C#N)n1 ZINC001162456328 967843497 /nfs/dbraw/zinc/84/34/97/967843497.db2.gz HSQZOHBRPBISRJ-VXGBXAGGSA-N 1 0 244.342 2.001 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ccc(C#N)cn2)cc1 ZINC001250464254 967891628 /nfs/dbraw/zinc/89/16/28/967891628.db2.gz ZZELPFWXJUCZTI-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001206066565 968035862 /nfs/dbraw/zinc/03/58/62/968035862.db2.gz WYLULEWKBYAARG-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000698158301 968055239 /nfs/dbraw/zinc/05/52/39/968055239.db2.gz TZMAVXOUEIVIJT-KBPBESRZSA-N 1 0 243.391 2.165 20 30 BEEDRO C=CCNCC[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001206110415 968068524 /nfs/dbraw/zinc/06/85/24/968068524.db2.gz XCMSSGGVNJGOTK-CHWSQXEVSA-N 1 0 210.365 2.130 20 30 BEEDRO C=CCNCC[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001206110417 968070196 /nfs/dbraw/zinc/07/01/96/968070196.db2.gz XCMSSGGVNJGOTK-QWHCGFSZSA-N 1 0 210.365 2.130 20 30 BEEDRO C=CCCCCN1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001206117876 968073313 /nfs/dbraw/zinc/07/33/13/968073313.db2.gz YAIMHAGSQFDZLS-JTQLQIEISA-N 1 0 218.291 2.011 20 30 BEEDRO Cc1c(C#N)ccnc1NCC(C)(C)C[NH+](C)C ZINC001168763436 968073909 /nfs/dbraw/zinc/07/39/09/968073909.db2.gz HZKSUKKOMKTGBG-UHFFFAOYSA-N 1 0 246.358 2.261 20 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COc1ccc(C#N)cc1Nc1cc[nH+]c(N)c1 ZINC001206568173 968387015 /nfs/dbraw/zinc/38/70/15/968387015.db2.gz KELVUOOKWOLRKK-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO CNc1ccc(C#N)cc1Nc1cc[nH+]c(N)c1 ZINC001206568123 968388309 /nfs/dbraw/zinc/38/83/09/968388309.db2.gz INQTWYJHFBGRGM-UHFFFAOYSA-N 1 0 239.282 2.321 20 30 BEEDRO C#Cc1ccc(Nc2cc[nH+]c(N)c2)cc1 ZINC001206568999 968392362 /nfs/dbraw/zinc/39/23/62/968392362.db2.gz SEBSOWLMESIFIW-UHFFFAOYSA-N 1 0 209.252 2.389 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCC(=O)C(C)(C)C)C1 ZINC001320734891 1169920348 /nfs/dbraw/zinc/92/03/48/1169920348.db2.gz FYJUTQWHVSFPGO-GFCCVEGCSA-N 1 0 239.359 2.269 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC001252003890 968431314 /nfs/dbraw/zinc/43/13/14/968431314.db2.gz XDGIDZYXKYYREF-QEJZJMRPSA-N 1 0 244.338 2.392 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC001252003888 968433064 /nfs/dbraw/zinc/43/30/64/968433064.db2.gz XDGIDZYXKYYREF-CFVMTHIKSA-N 1 0 244.338 2.392 20 30 BEEDRO CCC#C[C@@H](C)OCC[NH+]1CCCCC1 ZINC001206710319 968436703 /nfs/dbraw/zinc/43/67/03/968436703.db2.gz YOCNLZJGEUKZEZ-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(C)COC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001206736068 968447388 /nfs/dbraw/zinc/44/73/88/968447388.db2.gz LULLBBSBJSWHLP-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cnccn1 ZINC001474749641 1169921579 /nfs/dbraw/zinc/92/15/79/1169921579.db2.gz QCAHNNKMDATBAC-NSHDSACASA-N 1 0 205.305 2.311 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C[C@@H]1O ZINC001168766149 968497720 /nfs/dbraw/zinc/49/77/20/968497720.db2.gz QNJLBQLBSJPJSE-RYSNWHEDSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000822078716 968506194 /nfs/dbraw/zinc/50/61/94/968506194.db2.gz BAFGDMMLFMPUOL-DOLQZWNJSA-N 1 0 214.259 2.169 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001206909248 968515409 /nfs/dbraw/zinc/51/54/09/968515409.db2.gz ZZRYENDYITWFGL-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1[O-] ZINC000822658672 968529894 /nfs/dbraw/zinc/52/98/94/968529894.db2.gz NYUNEOVEGDPUAZ-GWCFXTLKSA-N 1 0 248.326 2.075 20 30 BEEDRO CCOCC[NH2+][C@@H](CC)c1cccc(C#N)c1[O-] ZINC000823330657 968541841 /nfs/dbraw/zinc/54/18/41/968541841.db2.gz RXAHVLOPUSLDBK-ZDUSSCGKSA-N 1 0 248.326 2.341 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc[nH]c1=O ZINC001207008645 968543127 /nfs/dbraw/zinc/54/31/27/968543127.db2.gz KKXJMMKMQCSTFP-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO CCCC[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC001252093262 968574079 /nfs/dbraw/zinc/57/40/79/968574079.db2.gz HCZZWTVNKWGWMR-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]Cc1ccccc1C#N ZINC001252108772 968592267 /nfs/dbraw/zinc/59/22/67/968592267.db2.gz RXNONMQKUFKMLV-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO N#Cc1c2ccccc2cnc1C1=CCC[NH2+]C1 ZINC001240651299 968625782 /nfs/dbraw/zinc/62/57/82/968625782.db2.gz CLSQWCRNCWMTQN-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO Cn1cc(C[N@H+](C)C[C@@H]2CC2(C)C)cc1C#N ZINC001207109763 968634730 /nfs/dbraw/zinc/63/47/30/968634730.db2.gz SOMVMMQPVRLUNS-LBPRGKRZSA-N 1 0 231.343 2.375 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001207190457 968683009 /nfs/dbraw/zinc/68/30/09/968683009.db2.gz PUNGGJZNSBTIEJ-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CCN1CC[NH+](CCC2CCCCC2)CC1 ZINC001207261282 968702302 /nfs/dbraw/zinc/70/23/02/968702302.db2.gz RKAHZIHEXWVPKZ-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccco1 ZINC001085458065 968729048 /nfs/dbraw/zinc/72/90/48/968729048.db2.gz ZAWQXFKZVMORDL-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC001252485265 968741866 /nfs/dbraw/zinc/74/18/66/968741866.db2.gz IWCMWPHDSRPGFD-ZFWWWQNUSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C[C@H](CC)CCCC ZINC001252486657 968743994 /nfs/dbraw/zinc/74/39/94/968743994.db2.gz GDKNFCBBVVMONO-KGLIPLIRSA-N 1 0 243.391 2.356 20 30 BEEDRO C=C(C)c1ccccc1CN1CC[C@H]([NH3+])C1 ZINC001240836347 968745673 /nfs/dbraw/zinc/74/56/73/968745673.db2.gz DIRFIGDINZPTAO-ZDUSSCGKSA-N 1 0 216.328 2.253 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C)CCCC(C)C ZINC001252487235 968747894 /nfs/dbraw/zinc/74/78/94/968747894.db2.gz PLEKHGQKUAJYIV-KGLIPLIRSA-N 1 0 243.391 2.354 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC001207394655 968753193 /nfs/dbraw/zinc/75/31/93/968753193.db2.gz TUCPHXKIYKREGA-GOEBONIOSA-N 1 0 245.366 2.462 20 30 BEEDRO C=C(C)c1cccc2nc([C@@H]3C[NH2+]CCO3)cn21 ZINC001240836470 968754065 /nfs/dbraw/zinc/75/40/65/968754065.db2.gz LNJSOYVSUGOWDG-ZDUSSCGKSA-N 1 0 243.310 2.028 20 30 BEEDRO COc1cccc(CC[NH+]2CCC(C#N)CC2)c1 ZINC001207428717 968763129 /nfs/dbraw/zinc/76/31/29/968763129.db2.gz JSQSMTYEHKNSGJ-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1CCC(F)(F)CC1 ZINC001252541485 968775387 /nfs/dbraw/zinc/77/53/87/968775387.db2.gz MIVVRRXBBHOYDT-JTQLQIEISA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1ccccc1 ZINC001252542000 968775430 /nfs/dbraw/zinc/77/54/30/968775430.db2.gz YHDMJLOOVHAOQO-CQSZACIVSA-N 1 0 219.328 2.098 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1cccc(C)c1 ZINC001252541487 968775524 /nfs/dbraw/zinc/77/55/24/968775524.db2.gz MLLNAUKILMKQDZ-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccccc1 ZINC001252541954 968776721 /nfs/dbraw/zinc/77/67/21/968776721.db2.gz XMXJSJLHPIVZKN-ZDUSSCGKSA-N 1 0 205.301 2.055 20 30 BEEDRO COc1ccccc1CC[NH+]1CC(CC#N)C1 ZINC001207453908 968777510 /nfs/dbraw/zinc/77/75/10/968777510.db2.gz QQCUSAARHPGFSV-UHFFFAOYSA-N 1 0 230.311 2.083 20 30 BEEDRO CCN(CCC#N)CCc1ccccc1OC ZINC001207456926 968779440 /nfs/dbraw/zinc/77/94/40/968779440.db2.gz YFGDXOFJVDJSMV-UHFFFAOYSA-N 1 0 232.327 2.473 20 30 BEEDRO C=C[C@@](C)(O)CNc1[nH+]c(C)ccc1C ZINC001252544016 968781664 /nfs/dbraw/zinc/78/16/64/968781664.db2.gz XTTFMGGFHMBLPL-GFCCVEGCSA-N 1 0 206.289 2.047 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CC(F)C2)CC1 ZINC001252550247 968792566 /nfs/dbraw/zinc/79/25/66/968792566.db2.gz MKTXLYMIQSJGCX-GFCCVEGCSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccc(C)cc1 ZINC001252552044 968792686 /nfs/dbraw/zinc/79/26/86/968792686.db2.gz RZIGSLZTQJPIJO-AWEZNQCLSA-N 1 0 219.328 2.364 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCCc1ccccc1 ZINC001252555004 968795974 /nfs/dbraw/zinc/79/59/74/968795974.db2.gz NRVVRPSNBRXXAJ-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001252554797 968797594 /nfs/dbraw/zinc/79/75/94/968797594.db2.gz LUUCSCCVIABOOD-KGLIPLIRSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1cccs1 ZINC001252555286 968797856 /nfs/dbraw/zinc/79/78/56/968797856.db2.gz RLAUAIOIXBSNIJ-LLVKDONJSA-N 1 0 211.330 2.117 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1cccc(F)c1F ZINC001252558949 968802909 /nfs/dbraw/zinc/80/29/09/968802909.db2.gz PMVUMVQKAKOOLS-CYBMUJFWSA-N 1 0 241.281 2.334 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCc1ccccc1F ZINC001252558592 968804861 /nfs/dbraw/zinc/80/48/61/968804861.db2.gz YELSGSFQTGKYKQ-AWEZNQCLSA-N 1 0 237.318 2.237 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001252560614 968807910 /nfs/dbraw/zinc/80/79/10/968807910.db2.gz UWVCWJVUDIAPLB-KGLIPLIRSA-N 1 0 217.312 2.370 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccc(CC[NH+](C)C)cc1 ZINC001252566709 968816734 /nfs/dbraw/zinc/81/67/34/968816734.db2.gz MOTUULQCIMSGLP-OAHLLOKOSA-N 1 0 248.370 2.140 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)c1ccccc1 ZINC001252567670 968818142 /nfs/dbraw/zinc/81/81/42/968818142.db2.gz BXPGWFJJUAVLRR-CQSZACIVSA-N 1 0 219.328 2.448 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1cccs1 ZINC001252567638 968818513 /nfs/dbraw/zinc/81/85/13/968818513.db2.gz BPWZEEWQAFIOLJ-KOLCDFICSA-N 1 0 211.330 2.336 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCOC1 ZINC000829179991 968820338 /nfs/dbraw/zinc/82/03/38/968820338.db2.gz QPABKMLYRUPXQN-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000829180007 968820708 /nfs/dbraw/zinc/82/07/08/968820708.db2.gz QPBDPGNRTLZUDD-STQMWFEESA-N 1 0 249.402 2.389 20 30 BEEDRO Cc1nocc1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829180595 968821289 /nfs/dbraw/zinc/82/12/89/968821289.db2.gz VSZRKOVHMCCOIP-VIFPVBQESA-N 1 0 221.304 2.401 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179207 968822738 /nfs/dbraw/zinc/82/27/38/968822738.db2.gz LGHLIRUHLMQONJ-RYUDHWBXSA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc(C)c1C ZINC001252572276 968823066 /nfs/dbraw/zinc/82/30/66/968823066.db2.gz OZXIIDNTJHVDEU-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCSCc1ccco1 ZINC001252572311 968823705 /nfs/dbraw/zinc/82/37/05/968823705.db2.gz PKHVHYQZDYGMIV-LBPRGKRZSA-N 1 0 241.356 2.039 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC001252574659 968824841 /nfs/dbraw/zinc/82/48/41/968824841.db2.gz OSEGUUMGTZDHJQ-KWQFWETISA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC001252574029 968825392 /nfs/dbraw/zinc/82/53/92/968825392.db2.gz KXUIHEJUBSJIEF-IHRRRGAJSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2ncccc2c1 ZINC001252573881 968826387 /nfs/dbraw/zinc/82/63/87/968826387.db2.gz JYQNZEFWDKTGSE-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1CC(c2ccccc2)C1 ZINC001252576810 968827707 /nfs/dbraw/zinc/82/77/07/968827707.db2.gz ORVCPJACVDGMMW-NRXISQOPSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)cc1F ZINC001252575799 968828854 /nfs/dbraw/zinc/82/88/54/968828854.db2.gz GBYGUJNVABGBDE-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccccc2OC)CC1 ZINC001252578909 968829944 /nfs/dbraw/zinc/82/99/44/968829944.db2.gz IEPAINOFFDACBM-CQSZACIVSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)Cc1ccccn1 ZINC001252578530 968830199 /nfs/dbraw/zinc/83/01/99/968830199.db2.gz DXMOWKSMFKLGHQ-OAHLLOKOSA-N 1 0 248.370 2.177 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001252578165 968831035 /nfs/dbraw/zinc/83/10/35/968831035.db2.gz CAAQYQNJWCEGKF-QWRGUYRKSA-N 1 0 245.313 2.481 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001252577572 968831212 /nfs/dbraw/zinc/83/12/12/968831212.db2.gz KOYKXNLJJDNWHU-KGLIPLIRSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CCC)c1ccncc1 ZINC001252581962 968834614 /nfs/dbraw/zinc/83/46/14/968834614.db2.gz LOQALRKUNLZGSY-UONOGXRCSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)CC1CCC1 ZINC001252583033 968835007 /nfs/dbraw/zinc/83/50/07/968835007.db2.gz BPIAIXRJBDWTPP-ZDUSSCGKSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(F)cc1F ZINC001252582232 968835326 /nfs/dbraw/zinc/83/53/26/968835326.db2.gz PIYLHOFXCMVORS-ZDUSSCGKSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1cccnc1C)C1CC1 ZINC001252583401 968837705 /nfs/dbraw/zinc/83/77/05/968837705.db2.gz JPQIQOFNMOCZBK-LSDHHAIUSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC1(CC2CC2)CC1 ZINC001252583234 968838349 /nfs/dbraw/zinc/83/83/49/968838349.db2.gz GJKKRRHLQLOFGK-GFCCVEGCSA-N 1 0 209.333 2.093 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CSc2ccccc2C1 ZINC001252585386 968840797 /nfs/dbraw/zinc/84/07/97/968840797.db2.gz MZUZSMOEYQVZNM-OCCSQVGLSA-N 1 0 249.379 2.230 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207627517 968841404 /nfs/dbraw/zinc/84/14/04/968841404.db2.gz AFPSNHUHNBSGTH-CRWXNKLISA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccc(F)cc1 ZINC001252587524 968842421 /nfs/dbraw/zinc/84/24/21/968842421.db2.gz SNUSMNMJROMNPY-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccccc1C ZINC001252587881 968843081 /nfs/dbraw/zinc/84/30/81/968843081.db2.gz XZSGKBGBJPHZNM-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1cccc(OC)c1 ZINC001252586770 968843472 /nfs/dbraw/zinc/84/34/72/968843472.db2.gz MHUYCUXKFNHKEG-AWEZNQCLSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cnccc1Cl ZINC001252589570 968844740 /nfs/dbraw/zinc/84/47/40/968844740.db2.gz NJMALIDUMJUGGS-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C(F)F)C1 ZINC001252599834 968855845 /nfs/dbraw/zinc/85/58/45/968855845.db2.gz LJCPOVAPTXBUCV-MNOVXSKESA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CC2(C1)CCCC2 ZINC001252597327 968857374 /nfs/dbraw/zinc/85/73/74/968857374.db2.gz YKOSLVVISMJLGA-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](CCC#N)C1CCCC1 ZINC001252598107 968857517 /nfs/dbraw/zinc/85/75/17/968857517.db2.gz JGDVBZJRNQVODB-AWEZNQCLSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C)nc1 ZINC001252602494 968858660 /nfs/dbraw/zinc/85/86/60/968858660.db2.gz SPTXGMLSXSRUMM-CQSZACIVSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)CC12CC2 ZINC001252602718 968860865 /nfs/dbraw/zinc/86/08/65/968860865.db2.gz WDFVZSGIMKGLKU-RYUDHWBXSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[C@@H](O)CNc1cccc(C[NH+](C)C)c1 ZINC001252605018 968863672 /nfs/dbraw/zinc/86/36/72/968863672.db2.gz FUFLEDJGDDECJN-OAHLLOKOSA-N 1 0 248.370 2.487 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cnc(Cl)s1 ZINC001252612264 968867505 /nfs/dbraw/zinc/86/75/05/968867505.db2.gz KSOPSCUZKHWSIE-MRVPVSSYSA-N 1 0 246.763 2.213 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1cccnc1 ZINC001252612081 968868723 /nfs/dbraw/zinc/86/87/23/968868723.db2.gz IUCBAUPKYXKVPC-CYBMUJFWSA-N 1 0 234.343 2.233 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCN(CCC)CCC ZINC001252613332 968870309 /nfs/dbraw/zinc/87/03/09/968870309.db2.gz ZGQJMSUQBWXRLX-AWEZNQCLSA-N 1 0 242.407 2.025 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1COc2ccccc21 ZINC001252615702 968874758 /nfs/dbraw/zinc/87/47/58/968874758.db2.gz CZAUKRFMASCYCK-WCQYABFASA-N 1 0 233.311 2.037 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC001252616412 968874999 /nfs/dbraw/zinc/87/49/99/968874999.db2.gz OORYMCRHZDVTAM-ZNMIVQPWSA-N 1 0 231.339 2.459 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCc1ccc(C)nc1 ZINC001252617699 968876869 /nfs/dbraw/zinc/87/68/69/968876869.db2.gz IUNPMHJQMJIDHZ-OAHLLOKOSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1ccccn1 ZINC001252617282 968877043 /nfs/dbraw/zinc/87/70/43/968877043.db2.gz BTGORYXHLYZDJR-QWHCGFSZSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cn1 ZINC001252617746 968877221 /nfs/dbraw/zinc/87/72/21/968877221.db2.gz JMIPRYXEDFWELQ-QWHCGFSZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001252618748 968880155 /nfs/dbraw/zinc/88/01/55/968880155.db2.gz FFTPSXCZZRVBLM-DOMZBBRYSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001252620028 968880802 /nfs/dbraw/zinc/88/08/02/968880802.db2.gz QDDNOQQSNUKQOS-IUODEOHRSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc2ocnc2c1 ZINC001252620210 968880949 /nfs/dbraw/zinc/88/09/49/968880949.db2.gz KANVLEHYOZEYHF-LBPRGKRZSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001252620199 968881032 /nfs/dbraw/zinc/88/10/32/968881032.db2.gz RWIPLQMIOSRJSY-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1noc2ccccc21 ZINC001252618884 968881202 /nfs/dbraw/zinc/88/12/02/968881202.db2.gz HWRPWUFUJNOIOJ-NSHDSACASA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cncn1C1CCC1 ZINC001252622124 968883731 /nfs/dbraw/zinc/88/37/31/968883731.db2.gz PBRZDIUBZNYYIX-AWEZNQCLSA-N 1 0 249.358 2.025 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCCCCS ZINC001252623285 968884161 /nfs/dbraw/zinc/88/41/61/968884161.db2.gz IJWILXZBZJVKGM-LBPRGKRZSA-N 1 0 231.405 2.393 20 30 BEEDRO CC1(C[NH+]2CCC(S)CC2)CCOCC1 ZINC001207969657 968968077 /nfs/dbraw/zinc/96/80/77/968968077.db2.gz QYBYAFZWSTZUHF-UHFFFAOYSA-N 1 0 229.389 2.197 20 30 BEEDRO CCCCN(CC#N)CC1(C)CC[NH+](C)CC1 ZINC001208108198 968992109 /nfs/dbraw/zinc/99/21/09/968992109.db2.gz AWGMBGYAVCAZEQ-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=C(C)CNc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001155655381 969043360 /nfs/dbraw/zinc/04/33/60/969043360.db2.gz CITMHYWYXWRQSP-UHFFFAOYSA-N 1 0 232.331 2.373 20 30 BEEDRO C=C(C)CNc1cc(N2CCCC2)nc(C)[nH+]1 ZINC001155655396 969043942 /nfs/dbraw/zinc/04/39/42/969043942.db2.gz CQAGSCPIRHRCCU-UHFFFAOYSA-N 1 0 232.331 2.373 20 30 BEEDRO N#Cc1cc(F)cc(-c2cc(C[NH3+])ccn2)c1 ZINC001241654880 969080373 /nfs/dbraw/zinc/08/03/73/969080373.db2.gz RKVVJEBXMHNNNN-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C[C@@](O)(C[NH2+]CCCCC#N)c1ccccc1 ZINC001253116407 969091203 /nfs/dbraw/zinc/09/12/03/969091203.db2.gz IMCINGKTJCYRGY-CQSZACIVSA-N 1 0 232.327 2.178 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[N@@H+]2CCCNC(=O)C2)CC1 ZINC001208170894 969104138 /nfs/dbraw/zinc/10/41/38/969104138.db2.gz NRTWYDXDIMTSGA-CQSZACIVSA-N 1 0 248.370 2.111 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C)CCC ZINC001155875850 969110545 /nfs/dbraw/zinc/11/05/45/969110545.db2.gz UCCNHNSWDHCFMB-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C[NH+](C)CC1(CN2CCCC[C@H]2C#N)CCCC1 ZINC001208185829 969117464 /nfs/dbraw/zinc/11/74/64/969117464.db2.gz IULFYNBGXDYORY-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CCC(=C)C)C1 ZINC001208252204 969129268 /nfs/dbraw/zinc/12/92/68/969129268.db2.gz HOEUCUHJFONSAV-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H](O)COC(C)(C)C ZINC001253458834 969183165 /nfs/dbraw/zinc/18/31/65/969183165.db2.gz FIPSADIQZUJTCQ-ZDUSSCGKSA-N 1 0 243.391 2.451 20 30 BEEDRO CCCCC[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC001253518517 969196001 /nfs/dbraw/zinc/19/60/01/969196001.db2.gz LNXFPCSDEKSLPX-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H](C)OCc1ccccc1 ZINC001208703809 969198257 /nfs/dbraw/zinc/19/82/57/969198257.db2.gz GJYDBMVWYJKKTJ-HNNXBMFYSA-N 1 0 241.334 2.160 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)CCCCC)C1 ZINC001253535138 969208901 /nfs/dbraw/zinc/20/89/01/969208901.db2.gz HUMOAWJYWJVBCL-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCN1CC[NH+](CC/C=C\CC)CC1 ZINC001208728608 969213001 /nfs/dbraw/zinc/21/30/01/969213001.db2.gz VCTUMCPOPINVQC-WAYWQWQTSA-N 1 0 208.349 2.146 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CCC(C)(C)C ZINC001168789103 969215340 /nfs/dbraw/zinc/21/53/40/969215340.db2.gz GTNHEHITLWDGJN-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168816814 969216018 /nfs/dbraw/zinc/21/60/18/969216018.db2.gz MLFHDLFKUXLFJD-GHMZBOCLSA-N 1 0 240.347 2.160 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC001168816821 969216136 /nfs/dbraw/zinc/21/61/36/969216136.db2.gz MLFHDLFKUXLFJD-WDEREUQCSA-N 1 0 240.347 2.160 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CCCCC ZINC001253553841 969226535 /nfs/dbraw/zinc/22/65/35/969226535.db2.gz IZOYADHYLVSGSG-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+][C@@H](CC)CC#N ZINC001253556735 969229090 /nfs/dbraw/zinc/22/90/90/969229090.db2.gz YXONJOUZNJTBAY-NWDGAFQWSA-N 1 0 212.337 2.209 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC001253568217 969239083 /nfs/dbraw/zinc/23/90/83/969239083.db2.gz YUEPFBMVFVASBF-GFCCVEGCSA-N 1 0 211.349 2.291 20 30 BEEDRO C#Cc1cccc(NC2=CC[N@H+](C)CC2)c1 ZINC001208838032 969246804 /nfs/dbraw/zinc/24/68/04/969246804.db2.gz NDDQZMYAPFTXKM-UHFFFAOYSA-N 1 0 212.296 2.299 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccccc2C#N)CC1 ZINC001208838807 969249019 /nfs/dbraw/zinc/24/90/19/969249019.db2.gz SSLXPZYKQPOKEU-UHFFFAOYSA-N 1 0 213.284 2.190 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001253578779 969250510 /nfs/dbraw/zinc/25/05/10/969250510.db2.gz ICWBLFHJJQJHRX-ZIAGYGMSSA-N 1 0 249.379 2.323 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001253578465 969252577 /nfs/dbraw/zinc/25/25/77/969252577.db2.gz BQFCNKZRUWKLPY-CABCVRRESA-N 1 0 231.339 2.098 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(CCCC)CC1 ZINC001253575794 969253652 /nfs/dbraw/zinc/25/36/52/969253652.db2.gz DRFSKNQHEHMGQD-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(C#N)cc2F)CC1 ZINC001208843423 969254528 /nfs/dbraw/zinc/25/45/28/969254528.db2.gz BZCVGJRSJBUQSW-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1ccc(C)nc1 ZINC001253580909 969257189 /nfs/dbraw/zinc/25/71/89/969257189.db2.gz AUDMJIAELLYOMB-KGLIPLIRSA-N 1 0 232.327 2.074 20 30 BEEDRO C[N@H+](CCCc1cccc(C#N)c1)C1(C)COC1 ZINC001208851590 969257430 /nfs/dbraw/zinc/25/74/30/969257430.db2.gz ZQHGLWJYPBHFHQ-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@H]1C[N@H+](CCCc2cccc(C#N)c2)CCO1 ZINC001208843962 969258210 /nfs/dbraw/zinc/25/82/10/969258210.db2.gz CYOHLYDAPQIIFK-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO COC[C@H]1CC[N@@H+]1CCCc1ccc(C#N)cc1 ZINC001208864313 969262783 /nfs/dbraw/zinc/26/27/83/969262783.db2.gz OZKCJMGDNCSXDE-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccccc1F ZINC001253598537 969290264 /nfs/dbraw/zinc/29/02/64/969290264.db2.gz VKRZVMOANIQCJB-ZJUUUORDSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001253598654 969290729 /nfs/dbraw/zinc/29/07/29/969290729.db2.gz WBWFGKALXDUPPE-CYBMUJFWSA-N 1 0 219.328 2.248 20 30 BEEDRO C#Cc1ccc(NC2=CC[N@H+](C)CC2)cc1 ZINC001208909646 969294834 /nfs/dbraw/zinc/29/48/34/969294834.db2.gz FJUTXGFHZJZWIB-UHFFFAOYSA-N 1 0 212.296 2.299 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCN(CCCC)CCCC ZINC001253601074 969295876 /nfs/dbraw/zinc/29/58/76/969295876.db2.gz KZQONXZGRMYETO-AWEZNQCLSA-N 1 0 242.407 2.025 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC001253602222 969296504 /nfs/dbraw/zinc/29/65/04/969296504.db2.gz DZEJKKDBBHRCPB-ZFWWWQNUSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1cc(F)cc(F)c1 ZINC001253604565 969302542 /nfs/dbraw/zinc/30/25/42/969302542.db2.gz KPUFPZIKTNSILR-LBPRGKRZSA-N 1 0 241.281 2.336 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(Cc2cccc(F)c2)CC1 ZINC001253607046 969305181 /nfs/dbraw/zinc/30/51/81/969305181.db2.gz QVDALPLAPFQYOR-CYBMUJFWSA-N 1 0 235.302 2.037 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1C ZINC001253606607 969305323 /nfs/dbraw/zinc/30/53/23/969305323.db2.gz KTLWIHQSUXWQOM-CMPLNLGQSA-N 1 0 223.291 2.332 20 30 BEEDRO CC(C)[N@H+](C)CCc1ccc(C#N)cc1 ZINC001208920529 969305942 /nfs/dbraw/zinc/30/59/42/969305942.db2.gz KKEGLDMBRLBNQP-UHFFFAOYSA-N 1 0 202.301 2.441 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001253608737 969306762 /nfs/dbraw/zinc/30/67/62/969306762.db2.gz GHXWDSFVOYHSEN-ZDUSSCGKSA-N 1 0 249.329 2.427 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CC3(CSC3)C2)cc1 ZINC001208928311 969307508 /nfs/dbraw/zinc/30/75/08/969307508.db2.gz ATDLWEHGQVYLSE-UHFFFAOYSA-N 1 0 244.363 2.150 20 30 BEEDRO CCC(=O)C(C)(C)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001208921593 969308332 /nfs/dbraw/zinc/30/83/32/969308332.db2.gz GSBVPLNBFRSFTE-CYBMUJFWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1F ZINC001253608239 969308548 /nfs/dbraw/zinc/30/85/48/969308548.db2.gz KDARHNYHHYBJJV-DTWKUNHWSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(Cc2ccccc2F)CC1 ZINC001253609290 969311422 /nfs/dbraw/zinc/31/14/22/969311422.db2.gz LINAYQSNZLHFEE-LBPRGKRZSA-N 1 0 235.302 2.037 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(Cc2ccccc2F)CC1 ZINC001253609289 969311604 /nfs/dbraw/zinc/31/16/04/969311604.db2.gz LINAYQSNZLHFEE-GFCCVEGCSA-N 1 0 235.302 2.037 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1cccc(F)c1 ZINC001253610855 969312010 /nfs/dbraw/zinc/31/20/10/969312010.db2.gz YKFVFTXAFRNBGJ-ZDUSSCGKSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001253610471 969312643 /nfs/dbraw/zinc/31/26/43/969312643.db2.gz SUTHRFVZLKITKF-UONOGXRCSA-N 1 0 235.302 2.413 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@@H](O)C=C)c1ccccc1 ZINC001253611432 969313778 /nfs/dbraw/zinc/31/37/78/969313778.db2.gz PIMJUJVSTOXTDL-UONOGXRCSA-N 1 0 217.312 2.440 20 30 BEEDRO N#CCC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001209141512 969357789 /nfs/dbraw/zinc/35/77/89/969357789.db2.gz SFUJHBRJQIQWGN-UHFFFAOYSA-N 1 0 242.322 2.009 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037247 969358231 /nfs/dbraw/zinc/35/82/31/969358231.db2.gz RKOYUXHGXLYMLP-RYUDHWBXSA-N 1 0 224.304 2.106 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@](O)(CF)C1 ZINC001209156913 969358343 /nfs/dbraw/zinc/35/83/43/969358343.db2.gz KCUWCGVPXPLQQO-LBPRGKRZSA-N 1 0 215.312 2.139 20 30 BEEDRO C=CCCC[N@@H+]1CCc2nc(Cl)ncc2C1 ZINC001209160254 969360963 /nfs/dbraw/zinc/36/09/63/969360963.db2.gz LRXBZMJIIZYUPM-UHFFFAOYSA-N 1 0 237.734 2.454 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001209157563 969361868 /nfs/dbraw/zinc/36/18/68/969361868.db2.gz XKPJOONIOUFSKW-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[NH+]1CCN(CC=C)CC1 ZINC001209202710 969390382 /nfs/dbraw/zinc/39/03/82/969390382.db2.gz OCKBWCHDHBHZQR-UHFFFAOYSA-N 1 0 208.349 2.146 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169100296 969391692 /nfs/dbraw/zinc/39/16/92/969391692.db2.gz IJUIDNXEMQDRHC-FQUUOJAGSA-N 1 0 220.360 2.003 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001209204262 969393479 /nfs/dbraw/zinc/39/34/79/969393479.db2.gz AULZJGRYEJQINW-TXEJJXNPSA-N 1 0 207.317 2.254 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2ncn(C)c2C1 ZINC001209208419 969399247 /nfs/dbraw/zinc/39/92/47/969399247.db2.gz ULBCEHQGAVJRPB-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO COCC[NH+]1CCC(C#Cc2ccccc2)CC1 ZINC001209210727 969401018 /nfs/dbraw/zinc/40/10/18/969401018.db2.gz GAULKAIUIDQISA-UHFFFAOYSA-N 1 0 243.350 2.397 20 30 BEEDRO CC(C)[C@@](C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090731 969406635 /nfs/dbraw/zinc/40/66/35/969406635.db2.gz MAISORLVSUEDRB-YIYPIFLZSA-N 1 0 235.375 2.139 20 30 BEEDRO CCCN(CCC#N)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169139964 969412725 /nfs/dbraw/zinc/41/27/25/969412725.db2.gz GNAPGYVGZGAOQM-WDNDVIMCSA-N 1 0 235.375 2.237 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OCC ZINC001209266532 969418354 /nfs/dbraw/zinc/41/83/54/969418354.db2.gz VTBSUFUCFHVKFR-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](Oc2cccc(C)n2)C1 ZINC001209267908 969418900 /nfs/dbraw/zinc/41/89/00/969418900.db2.gz OAOTWNGXAQRPAT-CQSZACIVSA-N 1 0 244.338 2.257 20 30 BEEDRO C#CCCC[NH+]1Cc2cc(OC)c(OC)cc2C1 ZINC001209269318 969423191 /nfs/dbraw/zinc/42/31/91/969423191.db2.gz UUGLECFZDAMDGQ-UHFFFAOYSA-N 1 0 245.322 2.433 20 30 BEEDRO C#CCCC[NH+]1CCC(c2nc(CC)no2)CC1 ZINC001209269410 969424068 /nfs/dbraw/zinc/42/40/68/969424068.db2.gz JJXSORXYXCVHSS-UHFFFAOYSA-N 1 0 247.342 2.225 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc(CCC)o1 ZINC001253989505 969438223 /nfs/dbraw/zinc/43/82/23/969438223.db2.gz BWZLKOQYWGGAOX-UHFFFAOYSA-N 1 0 221.304 2.131 20 30 BEEDRO CCCCN(CC#N)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169146098 969464751 /nfs/dbraw/zinc/46/47/51/969464751.db2.gz OMNJZVSZJGFGMK-BTTYYORXSA-N 1 0 235.375 2.237 20 30 BEEDRO C[C@@H]([NH3+])c1ccn(-c2ccccc2CS)n1 ZINC001169235159 969482454 /nfs/dbraw/zinc/48/24/54/969482454.db2.gz RLXMAQLNFXYHFA-SECBINFHSA-N 1 0 233.340 2.322 20 30 BEEDRO C[C@H]([NH3+])c1ccn(-c2ccccc2CS)n1 ZINC001169235160 969484959 /nfs/dbraw/zinc/48/49/59/969484959.db2.gz RLXMAQLNFXYHFA-VIFPVBQESA-N 1 0 233.340 2.322 20 30 BEEDRO C=CCCCCC[N@H+](C[C@@H](O)CO)C(C)(C)C ZINC001209422999 969487385 /nfs/dbraw/zinc/48/73/85/969487385.db2.gz CQLJHEMPLCWQMJ-CYBMUJFWSA-N 1 0 243.391 2.187 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001209423585 969493813 /nfs/dbraw/zinc/49/38/13/969493813.db2.gz SWLBMDFHEXOPAD-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCCC[N@H+]1CC(=O)N2CCC[C@H]2C1 ZINC001209428582 969496304 /nfs/dbraw/zinc/49/63/04/969496304.db2.gz MMBYLLAUCKPVMZ-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001209428201 969498137 /nfs/dbraw/zinc/49/81/37/969498137.db2.gz AQLZEXAZXOILRM-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)NCC ZINC001209433532 969501418 /nfs/dbraw/zinc/50/14/18/969501418.db2.gz ZKYJKCAIUUCNEZ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCCC[NH+]1CC(C(=O)OC)C1 ZINC001209432137 969502110 /nfs/dbraw/zinc/50/21/10/969502110.db2.gz ZPRSGJYJEVLYJM-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C(C)c1ccc(-n2ccc([C@H](C)[NH3+])n2)nc1 ZINC001169230666 969503447 /nfs/dbraw/zinc/50/34/47/969503447.db2.gz VTRVWLMTGLUREZ-JTQLQIEISA-N 1 0 228.299 2.320 20 30 BEEDRO C=CCCCCCCC[N@H+]1CCOC[C@@H](O)C1 ZINC001209438207 969508045 /nfs/dbraw/zinc/50/80/45/969508045.db2.gz HPMWTIYZWVKEDJ-AWEZNQCLSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCCCCCCC[N@H+]1CCOC[C@H](O)C1 ZINC001209438208 969508951 /nfs/dbraw/zinc/50/89/51/969508951.db2.gz HPMWTIYZWVKEDJ-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(C)(C#N)CC2)[nH]1 ZINC001209573876 969539037 /nfs/dbraw/zinc/53/90/37/969539037.db2.gz CMIQMCWVGLLFPR-UHFFFAOYSA-N 1 0 217.316 2.449 20 30 BEEDRO N#CCCN(Cc1c[nH+]ccc1N)C1CCCC1 ZINC001209734513 969597819 /nfs/dbraw/zinc/59/78/19/969597819.db2.gz SLGADLCOTOIPCA-UHFFFAOYSA-N 1 0 244.342 2.152 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)CC ZINC001169400909 969624643 /nfs/dbraw/zinc/62/46/43/969624643.db2.gz OISPBRUWKYDVRO-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC001169443495 969631394 /nfs/dbraw/zinc/63/13/94/969631394.db2.gz HMRNIVPBDRXSKR-GXTWGEPZSA-N 1 0 238.375 2.025 20 30 BEEDRO C=C(C)CN1CCC([NH+](CC)CC)CC1 ZINC000052049592 969669338 /nfs/dbraw/zinc/66/93/38/969669338.db2.gz VDOBGQHURXATLG-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO CCCCN(CC#N)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530366 969732256 /nfs/dbraw/zinc/73/22/56/969732256.db2.gz WPQOBLBFJFGBLI-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539608 969737426 /nfs/dbraw/zinc/73/74/26/969737426.db2.gz FVRSCAZZYWGJRD-NSHDSACASA-N 1 0 232.283 2.139 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254637255 969747214 /nfs/dbraw/zinc/74/72/14/969747214.db2.gz NYXSKIPNESPOFD-NWDGAFQWSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254637256 969748009 /nfs/dbraw/zinc/74/80/09/969748009.db2.gz NYXSKIPNESPOFD-RYUDHWBXSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)c1nc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)no1 ZINC001254634492 969751626 /nfs/dbraw/zinc/75/16/26/969751626.db2.gz GWNCSGWDKFWTBW-WDEREUQCSA-N 1 0 248.330 2.017 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccncc2F)C1 ZINC001254635802 969752324 /nfs/dbraw/zinc/75/23/24/969752324.db2.gz IBTZTVFHIYSEOU-ONGXEEELSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001254635931 969753840 /nfs/dbraw/zinc/75/38/40/969753840.db2.gz UMFBBDCRSWXCTN-NWDGAFQWSA-N 1 0 240.310 2.116 20 30 BEEDRO CCCOCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254641923 969756034 /nfs/dbraw/zinc/75/60/34/969756034.db2.gz DDMQNTXDVXYLRW-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CCCOCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254641921 969756630 /nfs/dbraw/zinc/75/66/30/969756630.db2.gz DDMQNTXDVXYLRW-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2cccs2)C1 ZINC001254644049 969757318 /nfs/dbraw/zinc/75/73/18/969757318.db2.gz PXXIXCJLQNIUFQ-OUAUKWLOSA-N 1 0 236.340 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2cccs2)C1 ZINC001254644050 969757566 /nfs/dbraw/zinc/75/75/66/969757566.db2.gz PXXIXCJLQNIUFQ-VWYCJHECSA-N 1 0 236.340 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001254644407 969757878 /nfs/dbraw/zinc/75/78/78/969757878.db2.gz SAFZWDOSCQWMFI-CHWSQXEVSA-N 1 0 241.338 2.395 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCc2cccnc2)C1 ZINC001254644169 969758531 /nfs/dbraw/zinc/75/85/31/969758531.db2.gz VHIVIUPWGDYAMT-KGLIPLIRSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ncccc32)C1 ZINC001254646564 969759937 /nfs/dbraw/zinc/75/99/37/969759937.db2.gz NEVNXZFSYFCPKP-UHIISALHSA-N 1 0 227.311 2.351 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254646906 969760153 /nfs/dbraw/zinc/76/01/53/969760153.db2.gz QDFIKDPSVMUDOT-GHMZBOCLSA-N 1 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969776952 /nfs/dbraw/zinc/77/69/52/969776952.db2.gz SLCCKSACWAOWIZ-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO CCOCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254671605 969777865 /nfs/dbraw/zinc/77/78/65/969777865.db2.gz SLCCKSACWAOWIZ-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254673885 969781074 /nfs/dbraw/zinc/78/10/74/969781074.db2.gz QNJGUSPHSBBYFJ-AGIUHOORSA-N 1 0 220.316 2.122 20 30 BEEDRO Cc1cnc2c(c1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CC2 ZINC001254677537 969784818 /nfs/dbraw/zinc/78/48/18/969784818.db2.gz UTZOTDPBSNQALA-OCCSQVGLSA-N 1 0 241.338 2.440 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CC3CCN(CC3)C2)CC1 ZINC001254839594 969802164 /nfs/dbraw/zinc/80/21/64/969802164.db2.gz TYOKSXQUCUOGQN-ZNMIVQPWSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)C1 ZINC001254859575 969811181 /nfs/dbraw/zinc/81/11/81/969811181.db2.gz FPLFDSWZGGNQDK-GJZGRUSLSA-N 1 0 247.386 2.096 20 30 BEEDRO N#CCC1CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254862492 969811666 /nfs/dbraw/zinc/81/16/66/969811666.db2.gz LMWVDIGJKOTLKG-OAHLLOKOSA-N 1 0 247.386 2.096 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(N)c(F)c[nH+]1 ZINC001169691431 969811891 /nfs/dbraw/zinc/81/18/91/969811891.db2.gz CMVWNLFKVPYGCI-LLVKDONJSA-N 1 0 207.252 2.017 20 30 BEEDRO C#C[C@](C)(CC)Nc1ccc(C)c(N)[nH+]1 ZINC001169693151 969812760 /nfs/dbraw/zinc/81/27/60/969812760.db2.gz UCJUQAWTDHKQJY-GFCCVEGCSA-N 1 0 203.289 2.186 20 30 BEEDRO C#C[C@@](C)(CC)Nc1ccc2[nH]c(N)[nH+]c2c1 ZINC001169701378 969823919 /nfs/dbraw/zinc/82/39/19/969823919.db2.gz IVEIFVUNMYZKKS-ZDUSSCGKSA-N 1 0 228.299 2.359 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)OCC)CC1 ZINC001169704243 969828029 /nfs/dbraw/zinc/82/80/29/969828029.db2.gz UZIIWGYZUHTLBH-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO N#Cc1c2ccccc2cnc1-n1ccc(C[NH3+])c1 ZINC001169716313 969830261 /nfs/dbraw/zinc/83/02/61/969830261.db2.gz HEOCUYHMECNQBB-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254955226 969836815 /nfs/dbraw/zinc/83/68/15/969836815.db2.gz YWVCBXFOEQYZAR-IGQOVBAYSA-N 1 0 246.354 2.370 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CCCC2(C1)OCCO2 ZINC001169955067 969890309 /nfs/dbraw/zinc/89/03/09/969890309.db2.gz HOLXVLLWFQMSTK-ZDUSSCGKSA-N 1 0 237.343 2.346 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(C)=O)C2 ZINC001108842104 969903203 /nfs/dbraw/zinc/90/32/03/969903203.db2.gz YYKURDDXLJLHEA-GHYVTOPFSA-N 1 0 236.359 2.083 20 30 BEEDRO N#Cc1cc(F)ccc1Nc1cc[nH+]c(CO)c1 ZINC001210551071 969932930 /nfs/dbraw/zinc/93/29/30/969932930.db2.gz OMBUUKJXUNRYHS-UHFFFAOYSA-N 1 0 243.241 2.328 20 30 BEEDRO Cc1ccc(Nc2c[nH+]cn2C)c(C#N)c1 ZINC001210565553 969943776 /nfs/dbraw/zinc/94/37/76/969943776.db2.gz DOBYYKDVNPEKAF-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1noc(C(C)C)n1 ZINC001255152281 969955934 /nfs/dbraw/zinc/95/59/34/969955934.db2.gz QIQGWBBEUJQZNL-SNVBAGLBSA-N 1 0 236.319 2.017 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@H](CC)CC#N ZINC001255151997 969956424 /nfs/dbraw/zinc/95/64/24/969956424.db2.gz KMHZANZSKZYGNV-SNVBAGLBSA-N 1 0 226.320 2.000 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C12CCC(O)(CC1)CC2 ZINC001255155883 969957372 /nfs/dbraw/zinc/95/73/72/969957372.db2.gz VBWPCNGAPIZLTJ-PNESKVBLSA-N 1 0 222.332 2.106 20 30 BEEDRO CC[C@@H](CC#N)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001255161249 969968833 /nfs/dbraw/zinc/96/88/33/969968833.db2.gz WQMRSZCBTWDWLT-QWHCGFSZSA-N 1 0 235.375 2.285 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC001255160956 969970750 /nfs/dbraw/zinc/97/07/50/969970750.db2.gz SEJAOFIGOIWIOM-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cccc2c1cnn2C ZINC001255164759 969975529 /nfs/dbraw/zinc/97/55/29/969975529.db2.gz QEQHXXPVPJSSBV-GFCCVEGCSA-N 1 0 242.326 2.355 20 30 BEEDRO CC[C@H](CC#N)N1CC[NH+](CC2CCCC2)CC1 ZINC001255171764 969982024 /nfs/dbraw/zinc/98/20/24/969982024.db2.gz AMSZSUWXLNDLCE-OAHLLOKOSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[C@@H](CC#N)N(CC)C1CC[NH+](C)CC1 ZINC001255172989 969985756 /nfs/dbraw/zinc/98/57/56/969985756.db2.gz VFWJQFBCPHXIAJ-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO CC[C@@H](CC#N)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC001255174640 969987750 /nfs/dbraw/zinc/98/77/50/969987750.db2.gz ZVCPWUVBFZFOGQ-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO CC[C@@H](CC#N)n1ccnc1[C@@H]1CCC[NH2+]C1 ZINC001255173731 969989634 /nfs/dbraw/zinc/98/96/34/969989634.db2.gz DELXQPVSHYPKMZ-NEPJUHHUSA-N 1 0 232.331 2.215 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(CC)c1O ZINC000691468279 969993233 /nfs/dbraw/zinc/99/32/33/969993233.db2.gz TXEJYLBPUATLFX-ZDUSSCGKSA-N 1 0 217.312 2.456 20 30 BEEDRO Cc1[nH+]cc(NC2=CC(=O)C[C@H](C)C2)n1C ZINC001210770657 970020932 /nfs/dbraw/zinc/02/09/32/970020932.db2.gz FHQQALMYTQZXHE-MRVPVSSYSA-N 1 0 219.288 2.023 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCN(C(=O)CCC)CC1 ZINC001112597119 970099798 /nfs/dbraw/zinc/09/97/98/970099798.db2.gz HEHLKLFUXJIKPZ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC001255341223 970120172 /nfs/dbraw/zinc/12/01/72/970120172.db2.gz BGJMWVGBULHZKG-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)CCCCC)CC1 ZINC001112616850 970123759 /nfs/dbraw/zinc/12/37/59/970123759.db2.gz CEPFBBIHUXWRKR-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCCC(=O)N1CC[NH+](C[C@H](C)CC)CC1 ZINC001112687871 970153601 /nfs/dbraw/zinc/15/36/01/970153601.db2.gz WMNRJHWAQGKZOA-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2cnccc2C#N)c1 ZINC001211135859 970157815 /nfs/dbraw/zinc/15/78/15/970157815.db2.gz GUFUQRUNHCUJIL-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2cccnc2C#N)c1 ZINC001211136092 970158022 /nfs/dbraw/zinc/15/80/22/970158022.db2.gz OIJIPOZNIXLSSU-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2onc(C)c2C#N)c1 ZINC001211134231 970158838 /nfs/dbraw/zinc/15/88/38/970158838.db2.gz FGOFQNGACXJLQX-UHFFFAOYSA-N 1 0 242.282 2.318 20 30 BEEDRO C[N@@H+]1CCC[C@H](NC2(C#N)CCCCCC2)C1 ZINC001255471367 970198466 /nfs/dbraw/zinc/19/84/66/970198466.db2.gz YDVLLPWCUVMGTR-ZDUSSCGKSA-N 1 0 235.375 2.287 20 30 BEEDRO Cc1cc(C#N)cc(C#N)c1Nc1c[nH+]cn1C ZINC001211251425 970201002 /nfs/dbraw/zinc/20/10/02/970201002.db2.gz ZPZOSMBPYJKUIT-UHFFFAOYSA-N 1 0 237.266 2.215 20 30 BEEDRO COc1c[nH+]ccc1Nc1cc(C)cc(C#N)c1 ZINC001211264926 970218254 /nfs/dbraw/zinc/21/82/54/970218254.db2.gz PIKOUWKUNRCEIK-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CCCN(C)C1 ZINC001255492456 970252753 /nfs/dbraw/zinc/25/27/53/970252753.db2.gz FNKBHJHHXQKDNX-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)CCO1 ZINC000300719198 970296269 /nfs/dbraw/zinc/29/62/69/970296269.db2.gz AUFLIUWGYDRRMI-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(C#N)cc2)C1 ZINC001170105270 970304723 /nfs/dbraw/zinc/30/47/23/970304723.db2.gz QBHWUHJIYDAAMK-ZWNOBZJWSA-N 1 0 227.311 2.452 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCOC(C)(C)C2)C1 ZINC001255546281 970319452 /nfs/dbraw/zinc/31/94/52/970319452.db2.gz NWVVIIJRZSUQBN-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001214014664 970418294 /nfs/dbraw/zinc/41/82/94/970418294.db2.gz YSYPSYWCUCUMJI-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1C ZINC001214065808 970424011 /nfs/dbraw/zinc/42/40/11/970424011.db2.gz BCQPZLHQPZETCP-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(=O)C=C(C)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255663355 970445859 /nfs/dbraw/zinc/44/58/59/970445859.db2.gz FQPOXPSQUMCAHQ-NKJPDMHTSA-N 1 0 236.359 2.084 20 30 BEEDRO C[C@H](Cc1ccccc1F)[NH2+]CCS ZINC001255829332 970503832 /nfs/dbraw/zinc/50/38/32/970503832.db2.gz HYEUCQUZWDOJLX-SECBINFHSA-N 1 0 213.321 2.276 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+]C1CCCCCC1)C(=O)NO ZINC001255887258 970547671 /nfs/dbraw/zinc/54/76/71/970547671.db2.gz RMBKUKBODFHHTO-JQWIXIFHSA-N 1 0 242.363 2.219 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)[NH2+]CCCC#N ZINC001255948478 970564817 /nfs/dbraw/zinc/56/48/17/970564817.db2.gz LXXKCNCEYNFORZ-LBPRGKRZSA-N 1 0 211.353 2.000 20 30 BEEDRO Cc1[nH+]ccc(NCc2ccc(C#N)s2)c1F ZINC001170201763 970597359 /nfs/dbraw/zinc/59/73/59/970597359.db2.gz KKTMKUZVIRCFBB-UHFFFAOYSA-N 1 0 247.298 2.496 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CC[C@](C)(C#N)C1 ZINC001255972598 970606763 /nfs/dbraw/zinc/60/67/63/970606763.db2.gz UYOGEUXOLHWAIT-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CC[C@](C)(C#N)C1 ZINC001255972597 970608147 /nfs/dbraw/zinc/60/81/47/970608147.db2.gz UYOGEUXOLHWAIT-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[C@@H]1C[C@H]([N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC001170236236 970615673 /nfs/dbraw/zinc/61/56/73/970615673.db2.gz CYRLCUHNEXNSCX-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC000304626756 970622235 /nfs/dbraw/zinc/62/22/35/970622235.db2.gz PZGJSSZFKGUJPC-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO CC[C@@H]1C[C@@H]([N@H+](CC)CCC#N)CCO1 ZINC001170224729 970624873 /nfs/dbraw/zinc/62/48/73/970624873.db2.gz VLSQSWATIRIDDC-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCCC[NH2+]C1CCN(c2ncccn2)CC1 ZINC001256050108 970627653 /nfs/dbraw/zinc/62/76/53/970627653.db2.gz QYDUUCIKVKXBTD-UHFFFAOYSA-N 1 0 246.358 2.001 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCN(C2CC2)CC1 ZINC001256068763 970635392 /nfs/dbraw/zinc/63/53/92/970635392.db2.gz JQAMZLXLUMCXSO-AWEZNQCLSA-N 1 0 220.360 2.005 20 30 BEEDRO C[NH+]1CC(CNc2cc(C#N)cc3[nH]ccc32)C1 ZINC001170256635 970640526 /nfs/dbraw/zinc/64/05/26/970640526.db2.gz QPOGCROEWIIYEP-UHFFFAOYSA-N 1 0 240.310 2.013 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC(C)(C)C1(C)C ZINC000305097260 970687251 /nfs/dbraw/zinc/68/72/51/970687251.db2.gz VGGWKAFLHSXPRL-NSHDSACASA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccccc1C#N ZINC000401232726 970668123 /nfs/dbraw/zinc/66/81/23/970668123.db2.gz OQEDHTRTSPGVFH-AGIUHOORSA-N 1 0 243.354 2.129 20 30 BEEDRO C=CC[N@@H+](C)CCN(C(=O)[C@H](F)CC)C(C)C ZINC001278914553 970674224 /nfs/dbraw/zinc/67/42/24/970674224.db2.gz HXTJEJOLDXFJAB-GFCCVEGCSA-N 1 0 244.354 2.089 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(OC)c1 ZINC001256151960 970675369 /nfs/dbraw/zinc/67/53/69/970675369.db2.gz RHVBENVGPYVCHK-NEPJUHHUSA-N 1 0 217.312 2.238 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1cccc(OC)c1 ZINC001256166530 970677155 /nfs/dbraw/zinc/67/71/55/970677155.db2.gz DCXWWHFRICKLMF-LBPRGKRZSA-N 1 0 217.312 2.191 20 30 BEEDRO C=CCCCNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001170302138 970687092 /nfs/dbraw/zinc/68/70/92/970687092.db2.gz VSAOETGYCNNOTB-UHFFFAOYSA-N 1 0 244.338 2.393 20 30 BEEDRO C=CCCCNc1cccc(N2CC[NH2+]CC2)c1 ZINC001170301501 970687542 /nfs/dbraw/zinc/68/75/42/970687542.db2.gz XXAGUIVBTHNWMD-UHFFFAOYSA-N 1 0 245.370 2.474 20 30 BEEDRO C[NH+]1CCC(N[C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001256196493 970690082 /nfs/dbraw/zinc/69/00/82/970690082.db2.gz OPCAGGLPIFJEDZ-AWEZNQCLSA-N 1 0 247.317 2.074 20 30 BEEDRO CCCCN(CCC#N)C1CC[NH+](C)CC1 ZINC001256207611 970712298 /nfs/dbraw/zinc/71/22/98/970712298.db2.gz MYESCHYIMIEMLO-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000401933443 970742359 /nfs/dbraw/zinc/74/23/59/970742359.db2.gz JKMYVBFFIXQYQA-NSHDSACASA-N 1 0 205.305 2.343 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCCC#N)C[C@H]1C ZINC001170413238 970744978 /nfs/dbraw/zinc/74/49/78/970744978.db2.gz XERZPJCOFJKTHL-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC001144077048 972554279 /nfs/dbraw/zinc/55/42/79/972554279.db2.gz XXBOILRYZQVKGL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](N[C@@H]1CC[C@@H]1C1CC1)C(=O)OCC ZINC001327385169 972565930 /nfs/dbraw/zinc/56/59/30/972565930.db2.gz SPDJZTCBUIIBIA-UPJWGTAASA-N 1 0 237.343 2.272 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC001327519268 972608261 /nfs/dbraw/zinc/60/82/61/972608261.db2.gz LLWCUUCLESLGBQ-AWEZNQCLSA-N 1 0 232.327 2.046 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(COC)cs1 ZINC001327577371 972650055 /nfs/dbraw/zinc/65/00/55/972650055.db2.gz MSWBWSXTHFCULN-NSHDSACASA-N 1 0 241.356 2.185 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc3cc[nH]c3n2)CC1 ZINC001144187594 972678730 /nfs/dbraw/zinc/67/87/30/972678730.db2.gz JASSPMHMMNEIMO-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(O)cn1 ZINC001144265584 972723001 /nfs/dbraw/zinc/72/30/01/972723001.db2.gz QKIJMSSCGAVCBJ-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C[NH2+][C@@H](C)CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC001327841760 972756524 /nfs/dbraw/zinc/75/65/24/972756524.db2.gz ZEISUNWEEFVDQB-QWRGUYRKSA-N 1 0 249.333 2.346 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H]1CC(=O)OCC ZINC001327854001 972760021 /nfs/dbraw/zinc/76/00/21/972760021.db2.gz QNOOKPRVCJUNEB-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)n1cnc(C[NH3+])c1 ZINC001171174984 972800799 /nfs/dbraw/zinc/80/07/99/972800799.db2.gz GYMYDVFUWAPYBO-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171177853 972806996 /nfs/dbraw/zinc/80/69/96/972806996.db2.gz BJYBUVYCGQUHDC-LBPRGKRZSA-N 1 0 226.323 2.491 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)CN(C)C ZINC001171178100 972807381 /nfs/dbraw/zinc/80/73/81/972807381.db2.gz CEMJHOXVJDFPOX-CHWSQXEVSA-N 1 0 245.370 2.029 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCOC1 ZINC001171181775 972813060 /nfs/dbraw/zinc/81/30/60/972813060.db2.gz PLTCWPDOHKFRFZ-DOMZBBRYSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)n1ccnc1C[NH3+] ZINC001171179230 972813366 /nfs/dbraw/zinc/81/33/66/972813366.db2.gz PIDIUMIUSCCOLB-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)n1ccnc1C[NH3+] ZINC001171179229 972813599 /nfs/dbraw/zinc/81/35/99/972813599.db2.gz PIDIUMIUSCCOLB-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCOC1 ZINC001171181776 972813915 /nfs/dbraw/zinc/81/39/15/972813915.db2.gz PLTCWPDOHKFRFZ-IUODEOHRSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC1COC1 ZINC001171189099 972831580 /nfs/dbraw/zinc/83/15/80/972831580.db2.gz AGYZFPKAOIYVCX-GFCCVEGCSA-N 1 0 244.338 2.115 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171190449 972840271 /nfs/dbraw/zinc/84/02/71/972840271.db2.gz UVJDOZMVAVMGHD-NEPJUHHUSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1(C#N)CC1 ZINC001171190597 972842419 /nfs/dbraw/zinc/84/24/19/972842419.db2.gz WJMOUEMKPQIWTG-LBPRGKRZSA-N 1 0 239.322 2.383 20 30 BEEDRO C=CCCCC[N@@H+](CC(=O)OC)CC(C)C ZINC001327984936 972844363 /nfs/dbraw/zinc/84/43/63/972844363.db2.gz LSRAOTLYKYBGTQ-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC3(CSC3)C2)cc1 ZINC001144578839 972870347 /nfs/dbraw/zinc/87/03/47/972870347.db2.gz RLVOHOYAMWYGKV-UHFFFAOYSA-N 1 0 229.348 2.217 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCC[C@](C)(O)C2)cc1 ZINC001144567841 972873357 /nfs/dbraw/zinc/87/33/57/972873357.db2.gz DFKVSSHPBQPNSJ-INIZCTEOSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@H](O)C2)cc1 ZINC001144568044 972873566 /nfs/dbraw/zinc/87/35/66/972873566.db2.gz JCFXGMCBXPZYSX-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCCC3(COC3)C2)cc1 ZINC001144568369 972875689 /nfs/dbraw/zinc/87/56/89/972875689.db2.gz SDCRXSJURXQRQM-UHFFFAOYSA-N 1 0 241.334 2.280 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2CN(C)C)cc1 ZINC001144573612 972877277 /nfs/dbraw/zinc/87/72/77/972877277.db2.gz NRVBJMZSJVZMQO-INIZCTEOSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)cc1 ZINC001144576477 972879717 /nfs/dbraw/zinc/87/97/17/972879717.db2.gz LICUZUQITWUMQZ-INIZCTEOSA-N 1 0 241.334 2.423 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)CCC ZINC001328293905 972949625 /nfs/dbraw/zinc/94/96/25/972949625.db2.gz HQXUYHQNXNCVSZ-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)/C=C(\C)CC ZINC001328332153 972972045 /nfs/dbraw/zinc/97/20/45/972972045.db2.gz SKOVYYQYFLRBLB-SRXBQZRASA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)CCC(=O)NCC[C@H](C)[NH2+]CCC ZINC001328352166 972986005 /nfs/dbraw/zinc/98/60/05/972986005.db2.gz OXKBXCDCYUTRTG-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000846903279 973056620 /nfs/dbraw/zinc/05/66/20/973056620.db2.gz WGFJKZFQKGEOGA-YABSGUDNSA-N 1 0 229.327 2.477 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C1(CC)CCCC1 ZINC001146262973 973131148 /nfs/dbraw/zinc/13/11/48/973131148.db2.gz UUQMDLZHOHIJFV-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CC[N@@H+]1CC[C@@H](O[C@H](C#N)c2ccccc2)C1 ZINC001223710123 973230458 /nfs/dbraw/zinc/23/04/58/973230458.db2.gz UPNCTAJSLLLZAN-ZIAGYGMSSA-N 1 0 230.311 2.362 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC001328746270 973325036 /nfs/dbraw/zinc/32/50/36/973325036.db2.gz LULQFSMOPFQXFC-KGLIPLIRSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC001328746269 973325408 /nfs/dbraw/zinc/32/54/08/973325408.db2.gz LULQFSMOPFQXFC-KBPBESRZSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C(C)C[NH2+]CC1CC(NC(=O)C=C2CCC2)C1 ZINC001328840890 973368560 /nfs/dbraw/zinc/36/85/60/973368560.db2.gz FTUQBJKWVBZMTR-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](CC)CC(C)C ZINC001147038654 973377661 /nfs/dbraw/zinc/37/76/61/973377661.db2.gz RNYJULDVMBHBSW-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C[C@@H](O[C@H](CC#N)C[N+](C)(C)C)c1ccccn1 ZINC001223998295 973386743 /nfs/dbraw/zinc/38/67/43/973386743.db2.gz MIJPNHOHBITJTI-CHWSQXEVSA-N 1 0 248.350 2.148 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC ZINC001328972766 973395325 /nfs/dbraw/zinc/39/53/25/973395325.db2.gz ZBGVKHMAXCDARF-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC1CC1 ZINC001328972445 973405175 /nfs/dbraw/zinc/40/51/75/973405175.db2.gz YPTBVAITPUHKGX-VHSXEESVSA-N 1 0 244.766 2.022 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1csc(C)c1 ZINC001328999777 973425443 /nfs/dbraw/zinc/42/54/43/973425443.db2.gz OFTSOJVVYWRNOG-UHFFFAOYSA-N 1 0 223.341 2.138 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC001329103318 973486183 /nfs/dbraw/zinc/48/61/83/973486183.db2.gz JPWRDTLCBLGMRR-VXGBXAGGSA-N 1 0 240.391 2.480 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCCC(=O)OC)C1 ZINC001329265576 973621464 /nfs/dbraw/zinc/62/14/64/973621464.db2.gz XEEXVEHWYVRTKJ-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)[C@@H](C)[C@H]1C ZINC001171308390 973648995 /nfs/dbraw/zinc/64/89/95/973648995.db2.gz QYVAKZPHVYYOST-WOPDTQHZSA-N 1 0 229.327 2.430 20 30 BEEDRO C[C@@H](OCC1CC[NH+](C)CC1)[C@H](C)S ZINC001224454132 973658816 /nfs/dbraw/zinc/65/88/16/973658816.db2.gz NJEZYGNCRZIZPA-ZJUUUORDSA-N 1 0 217.378 2.052 20 30 BEEDRO CCCCCCCNC(=O)NC[C@H](C)C[NH2+]C ZINC001329425352 973766197 /nfs/dbraw/zinc/76/61/97/973766197.db2.gz MAQNYXBVYHVLHQ-GFCCVEGCSA-N 1 0 243.395 2.112 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001329517173 973796412 /nfs/dbraw/zinc/79/64/12/973796412.db2.gz SMNKPTYARPYGMJ-QWHCGFSZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H](C)c1ccccc1 ZINC001148485714 973847429 /nfs/dbraw/zinc/84/74/29/973847429.db2.gz UYONLZHEVVMZMJ-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO O/N=C/c1cccc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171333115 973863957 /nfs/dbraw/zinc/86/39/57/973863957.db2.gz CBCAHRLQYOXRLJ-BPKVKKHESA-N 1 0 233.315 2.049 20 30 BEEDRO CC#C[C@@H](CC)OC[C@@H]1CCCC[N@@H+]1C ZINC001224705196 973870418 /nfs/dbraw/zinc/87/04/18/973870418.db2.gz DOESADWJLZYGLO-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224706412 973874880 /nfs/dbraw/zinc/87/48/80/973874880.db2.gz JXXCIYFPDIOMGB-HZSPNIEDSA-N 1 0 221.344 2.289 20 30 BEEDRO Fc1cc(F)c2c(c1)C[C@H]([NH2+]CCS)CC2 ZINC001171335780 973880729 /nfs/dbraw/zinc/88/07/29/973880729.db2.gz ARUJBUCFAHOWFF-SNVBAGLBSA-N 1 0 243.322 2.342 20 30 BEEDRO CC(C)=CCCO[C@H](CC#N)C[N+](C)(C)C ZINC001224714152 973882141 /nfs/dbraw/zinc/88/21/41/973882141.db2.gz ACMLYNKERTUDAJ-CYBMUJFWSA-N 1 0 225.356 2.348 20 30 BEEDRO N#CCc1cc(F)cc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171337891 973889963 /nfs/dbraw/zinc/88/99/63/973889963.db2.gz BWIRHDINGXPVFQ-ZDUSSCGKSA-N 1 0 247.317 2.446 20 30 BEEDRO C/C(=N\O)c1ccc(NC[C@H]2CCCC[NH2+]2)cc1 ZINC001171337769 973889997 /nfs/dbraw/zinc/88/99/97/973889997.db2.gz AEBXMJMZMJAXNM-SWEABUAFSA-N 1 0 247.342 2.439 20 30 BEEDRO C=C(C)C[NH2+][C@H](CCN(C)C(C)=O)C(C)C ZINC001329720113 973897103 /nfs/dbraw/zinc/89/71/03/973897103.db2.gz IFUSBQYFMMJPBH-CYBMUJFWSA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OCCC[NH+]1CCCC1 ZINC001224745065 973901364 /nfs/dbraw/zinc/90/13/64/973901364.db2.gz VTAQKBSTSCRYJG-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C[NH2+][C@H](C)c1nc(-c2cc(C#N)ccc2F)no1 ZINC001247490299 973973872 /nfs/dbraw/zinc/97/38/72/973973872.db2.gz QBUMOQREZHFOLB-SSDOTTSWSA-N 1 0 246.245 2.028 20 30 BEEDRO C=CC[N@H+](CC1CCC(O)CC1)C(C)C ZINC001329878800 973995479 /nfs/dbraw/zinc/99/54/79/973995479.db2.gz YJBHSEVJEMUAKB-UHFFFAOYSA-N 1 0 211.349 2.434 20 30 BEEDRO Fc1cccc2c1CC[C@H]([NH2+]CCS)C2 ZINC001171393570 974002731 /nfs/dbraw/zinc/00/27/31/974002731.db2.gz DXAWSCMVWJLGDM-JTQLQIEISA-N 1 0 225.332 2.202 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171449312 974073613 /nfs/dbraw/zinc/07/36/13/974073613.db2.gz PQKBPUCTEKEIFO-LLVKDONJSA-N 1 0 221.250 2.045 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171449316 974074616 /nfs/dbraw/zinc/07/46/16/974074616.db2.gz PQKBPUCTEKEIFO-NSHDSACASA-N 1 0 221.250 2.045 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+]C#C[Si](C)(C)C ZINC001171499461 974082440 /nfs/dbraw/zinc/08/24/40/974082440.db2.gz SRFCAYHYPKJAKT-UHFFFAOYSA-N 1 0 211.381 2.172 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@@H](OCC2(C#N)CC2)C1 ZINC001224949066 974094218 /nfs/dbraw/zinc/09/42/18/974094218.db2.gz XCQFXDRLYRSMLS-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCC1(C#N)CC1 ZINC001224951918 974096738 /nfs/dbraw/zinc/09/67/38/974096738.db2.gz WGTYKBIEERAYMA-ITGUQSILSA-N 1 0 234.343 2.037 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2c(C)cccc2C1 ZINC001171570585 974105417 /nfs/dbraw/zinc/10/54/17/974105417.db2.gz MAMWZHZXLGKWJE-CQSZACIVSA-N 1 0 213.324 2.417 20 30 BEEDRO C[C@H](C#N)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171625911 974120782 /nfs/dbraw/zinc/12/07/82/974120782.db2.gz PRNNVDISMLMLFA-SNVBAGLBSA-N 1 0 223.364 2.139 20 30 BEEDRO C#CC1([NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171780925 974169132 /nfs/dbraw/zinc/16/91/32/974169132.db2.gz TVGRCTKLHKSHHE-NSHDSACASA-N 1 0 215.271 2.048 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccn1C1CC1 ZINC001330532087 974297165 /nfs/dbraw/zinc/29/71/65/974297165.db2.gz CPYGDURRBFAHFX-GFCCVEGCSA-N 1 0 234.343 2.240 20 30 BEEDRO C=CCC1(C(=O)NCC[NH+]2CC=CC2)CCCC1 ZINC001330570642 974324222 /nfs/dbraw/zinc/32/42/22/974324222.db2.gz FLQCPTJVOBKVCF-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO COC1(C[N@@H+]2CCC[C@](C)(C#N)C2)CCC1 ZINC001330578184 974328927 /nfs/dbraw/zinc/32/89/27/974328927.db2.gz LVOQWPPXSQPDCF-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CCN(CC)C(=O)C1 ZINC001172048692 974330667 /nfs/dbraw/zinc/33/06/67/974330667.db2.gz QLOIBUAVIJBQEO-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001330582985 974334976 /nfs/dbraw/zinc/33/49/76/974334976.db2.gz FTUQBJKWVBZMTR-HDJSIYSDSA-N 1 0 248.370 2.157 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(C#N)CCC1)C2 ZINC001172099089 974337911 /nfs/dbraw/zinc/33/79/11/974337911.db2.gz IJDGODHHWJNLGI-CLLJXQQHSA-N 1 0 233.359 2.038 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NCC1(C#N)CCC1)C2 ZINC001172100815 974344800 /nfs/dbraw/zinc/34/48/00/974344800.db2.gz UMZSOVBTPDHDFK-BTTYYORXSA-N 1 0 247.386 2.285 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCCC[C@H]1C#N)C2 ZINC001172126478 974351585 /nfs/dbraw/zinc/35/15/85/974351585.db2.gz WGWYHFIEGOZOKU-LJISPDSOSA-N 1 0 247.386 2.380 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1=CC(=O)CCC1)C2 ZINC001172103613 974364107 /nfs/dbraw/zinc/36/41/07/974364107.db2.gz WITLXBHFKREQAO-BTTYYORXSA-N 1 0 248.370 2.228 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](NC1(C#N)CCCC1)C2 ZINC001172107451 974364657 /nfs/dbraw/zinc/36/46/57/974364657.db2.gz XSQVOBFGESHLAY-BTTYYORXSA-N 1 0 247.386 2.428 20 30 BEEDRO CCN(CCC#N)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172119805 974382302 /nfs/dbraw/zinc/38/23/02/974382302.db2.gz ASAIDQZFCLWUDY-BTTYYORXSA-N 1 0 235.375 2.237 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172123578 974390286 /nfs/dbraw/zinc/39/02/86/974390286.db2.gz FDMCOZCIBBQOBH-WCVJEAGWSA-N 1 0 246.398 2.347 20 30 BEEDRO C[C@H](CS)Oc1ccc(C[NH+](C)C)cc1 ZINC001225332538 974408866 /nfs/dbraw/zinc/40/88/66/974408866.db2.gz LIIGYKQBTUHJHY-SNVBAGLBSA-N 1 0 225.357 2.445 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)CCCC1 ZINC001172216843 974442165 /nfs/dbraw/zinc/44/21/65/974442165.db2.gz POFQSEJVVUHBSG-YHWZYXNKSA-N 1 0 234.343 2.370 20 30 BEEDRO CC(C)(C)C#CC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172222081 974457078 /nfs/dbraw/zinc/45/70/78/974457078.db2.gz CRFRBRHBBQMONY-YHWZYXNKSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C(C)=C/C)C2 ZINC001094890313 974464765 /nfs/dbraw/zinc/46/47/65/974464765.db2.gz DTSZIGVKQIEXGQ-JOCZZHLOSA-N 1 0 248.370 2.108 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230324 974471579 /nfs/dbraw/zinc/47/15/79/974471579.db2.gz UUIWYIRLOPWTMX-RLAWYHOSSA-N 1 0 234.343 2.322 20 30 BEEDRO N#CC1(NC2C[C@@H]3C=C[C@H](C2)O3)CCCCC1 ZINC001172231058 974473784 /nfs/dbraw/zinc/47/37/84/974473784.db2.gz NWLMBDXZYPZUBE-YHWZYXNKSA-N 1 0 232.327 2.288 20 30 BEEDRO C#CCC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172198164 974481875 /nfs/dbraw/zinc/48/18/75/974481875.db2.gz RWTMOYQFQZCMCD-GFCCVEGCSA-N 1 0 217.337 2.316 20 30 BEEDRO C#CC1([NH2+][C@H]2CSc3ccccc3C2)CC1 ZINC001172196830 974482112 /nfs/dbraw/zinc/48/21/12/974482112.db2.gz LWMBJUALPPMOHZ-GFCCVEGCSA-N 1 0 229.348 2.459 20 30 BEEDRO CC[N@H+](CCOC)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172308434 974516107 /nfs/dbraw/zinc/51/61/07/974516107.db2.gz KHZJHYDGKONDDM-ZDUSSCGKSA-N 1 0 246.354 2.458 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cnoc1 ZINC001172302378 974516618 /nfs/dbraw/zinc/51/66/18/974516618.db2.gz JBWKETLKKMQTOF-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@H](C)C(C)(C)O ZINC001172304186 974517009 /nfs/dbraw/zinc/51/70/09/974517009.db2.gz IYSZCXLGDZEEKR-VXGBXAGGSA-N 1 0 246.354 2.238 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)n1cc(C[NH3+])cn1 ZINC001172303563 974517167 /nfs/dbraw/zinc/51/71/67/974517167.db2.gz ZYDMFBVNAZLJIO-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1C[C@H]1F ZINC001172303508 974517637 /nfs/dbraw/zinc/51/76/37/974517637.db2.gz YVJSMLKJFJLNTB-ZWKOPEQDSA-N 1 0 218.275 2.189 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC=CC1 ZINC001172309944 974519873 /nfs/dbraw/zinc/51/98/73/974519873.db2.gz YHADBXNIXAVRIM-LBPRGKRZSA-N 1 0 212.296 2.361 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001172316645 974524769 /nfs/dbraw/zinc/52/47/69/974524769.db2.gz WDDFWYPNVJANMI-DFBGVHRSSA-N 1 0 226.323 2.441 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH2+]CCCC#N ZINC001172325970 974537100 /nfs/dbraw/zinc/53/71/00/974537100.db2.gz ZVLBDIMJRBJGEE-NWDGAFQWSA-N 1 0 212.337 2.473 20 30 BEEDRO CC#C[C@@H](CC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225549129 974548027 /nfs/dbraw/zinc/54/80/27/974548027.db2.gz IDGLSNSNLZBYIL-GFCCVEGCSA-N 1 0 246.310 2.366 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001331074361 974584681 /nfs/dbraw/zinc/58/46/81/974584681.db2.gz CHEYJXJXSVGTIF-TYUFSLCMSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)CCO[C@@H](C)CC ZINC001172346493 974613687 /nfs/dbraw/zinc/61/36/87/974613687.db2.gz JGGKPKUOMQEOIY-KGLIPLIRSA-N 1 0 221.344 2.149 20 30 BEEDRO C[N@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[C@@H]1C#N ZINC001331143377 974617865 /nfs/dbraw/zinc/61/78/65/974617865.db2.gz MLCRJMSODGTPRY-JHJVBQTASA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)C[NH2+]CCC(=O)Nc1ccccc1 ZINC001335384399 1169980618 /nfs/dbraw/zinc/98/06/18/1169980618.db2.gz NSWUIZLOZJYGAG-UHFFFAOYSA-N 1 0 218.300 2.181 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+][C@H](CO)[C@@H](C)O ZINC001172359015 974629788 /nfs/dbraw/zinc/62/97/88/974629788.db2.gz HQVZUVJFSMYQEQ-HZSPNIEDSA-N 1 0 245.407 2.457 20 30 BEEDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccnc2C#N)CC1 ZINC001225673429 974639759 /nfs/dbraw/zinc/63/97/59/974639759.db2.gz RBXDTDIWGKESMK-HAQNSBGRSA-N 1 0 245.326 2.205 20 30 BEEDRO C[C@@H]1CC[C@H](NC2(C#N)CC[NH+](C)CC2)C[C@@H]1C ZINC001172368116 974648046 /nfs/dbraw/zinc/64/80/46/974648046.db2.gz NNWUGOXBQQXRAQ-RDBSUJKOSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H]1CC[C@H](NC2(C#N)CC[NH+](C)CC2)C[C@H]1C ZINC001172368114 974649138 /nfs/dbraw/zinc/64/91/38/974649138.db2.gz NNWUGOXBQQXRAQ-MCIONIFRSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC001331255544 974662354 /nfs/dbraw/zinc/66/23/54/974662354.db2.gz VPBLLBUHNHOYCH-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC001172411828 974674958 /nfs/dbraw/zinc/67/49/58/974674958.db2.gz RNSPNESGUSBIDD-GFCCVEGCSA-N 1 0 232.327 2.463 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]CC#CC(C)(C)C ZINC001172419935 974693373 /nfs/dbraw/zinc/69/33/73/974693373.db2.gz NYUVAAPQAJFQIR-GFCCVEGCSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OCC)C1CC1)CC1CC1 ZINC001331570391 974766694 /nfs/dbraw/zinc/76/66/94/974766694.db2.gz JLKOMIGQDRYYLQ-CQSZACIVSA-N 1 0 221.344 2.147 20 30 BEEDRO CCc1coc(C[NH2+][C@@H](C)CCCC#N)n1 ZINC001172476221 974773035 /nfs/dbraw/zinc/77/30/35/974773035.db2.gz JEMAWDMHTDKNCH-JTQLQIEISA-N 1 0 221.304 2.409 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1cccnc1 ZINC001172476502 974773431 /nfs/dbraw/zinc/77/34/31/974773431.db2.gz LVDLAJDGJNAKRS-GFCCVEGCSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H](O)c1ccccc1 ZINC001172477380 974774186 /nfs/dbraw/zinc/77/41/86/974774186.db2.gz YSVMDYUINASOPP-TZMCWYRMSA-N 1 0 232.327 2.392 20 30 BEEDRO COC[C@H]([NH2+][C@@H](C)CCCC#N)C(C)C ZINC001172477227 974774971 /nfs/dbraw/zinc/77/49/71/974774971.db2.gz XHQCKBAIFIWBQD-RYUDHWBXSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[C@H](C)[C@@H](CO)[NH2+][C@H](C)CCCC#N ZINC001172478009 974777130 /nfs/dbraw/zinc/77/71/30/974777130.db2.gz AVJADENJVAJNOA-QJPTWQEYSA-N 1 0 212.337 2.065 20 30 BEEDRO COc1ncccc1C[NH2+][C@H](C)CCCC#N ZINC001172480094 974779173 /nfs/dbraw/zinc/77/91/73/974779173.db2.gz QLWDXKOOFWETFF-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@H](C)CCCC#N ZINC001172480154 974779392 /nfs/dbraw/zinc/77/93/92/974779392.db2.gz QRYPSAHSQRCOQZ-GFCCVEGCSA-N 1 0 240.347 2.392 20 30 BEEDRO Cc1cc(C)c(C#N)c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001226088168 974781728 /nfs/dbraw/zinc/78/17/28/974781728.db2.gz MLNJXGDAOUQBRI-LBPRGKRZSA-N 1 0 248.350 2.044 20 30 BEEDRO CCCC[C@H](CO)[NH2+][C@@H](C)CCCC#N ZINC001172480955 974782672 /nfs/dbraw/zinc/78/26/72/974782672.db2.gz YKJGYZFCDVVLJZ-NWDGAFQWSA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(O)cc1O ZINC001172482479 974783100 /nfs/dbraw/zinc/78/31/00/974783100.db2.gz HDAANZZMWINNOA-SNVBAGLBSA-N 1 0 234.299 2.270 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1cncnc1 ZINC001172482276 974783534 /nfs/dbraw/zinc/78/35/34/974783534.db2.gz DQIKGDNJPMAWLF-GHMZBOCLSA-N 1 0 218.304 2.210 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCOC(F)(F)F ZINC001172482281 974783629 /nfs/dbraw/zinc/78/36/29/974783629.db2.gz DQZYFCDODMTPRF-QMMMGPOBSA-N 1 0 224.226 2.195 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001172483436 974786142 /nfs/dbraw/zinc/78/61/42/974786142.db2.gz PWSYHHRODAYTOW-RWMBFGLXSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC001172483434 974786830 /nfs/dbraw/zinc/78/68/30/974786830.db2.gz PWSYHHRODAYTOW-AVGNSLFASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)Cc1cnccn1 ZINC001172483650 974787006 /nfs/dbraw/zinc/78/70/06/974787006.db2.gz RVYGQGANDFCMHS-VXGBXAGGSA-N 1 0 232.331 2.080 20 30 BEEDRO COc1cccc(C[NH2+][C@H](C)CCCC#N)n1 ZINC001172485508 974787925 /nfs/dbraw/zinc/78/79/25/974787925.db2.gz QUITXLWGXRAJQD-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@H](CCCC#N)n1cccc1CC[NH3+] ZINC001172484378 974789493 /nfs/dbraw/zinc/78/94/93/974789493.db2.gz DOKZYZUQDJKSLF-LLVKDONJSA-N 1 0 205.305 2.244 20 30 BEEDRO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C1CC1 ZINC001277099582 974790821 /nfs/dbraw/zinc/79/08/21/974790821.db2.gz KIUCBKACSHBHDX-JTQLQIEISA-N 1 0 244.766 2.023 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226114820 974796196 /nfs/dbraw/zinc/79/61/96/974796196.db2.gz REIMGINAAKVGLP-AHSSXEFNSA-N 1 0 248.326 2.356 20 30 BEEDRO C#CC[N@@H+](C[C@@H](CCC)OC)CC1CC1 ZINC001331707630 974798660 /nfs/dbraw/zinc/79/86/60/974798660.db2.gz NDPKDXCFPFRPPH-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC001331769978 974815292 /nfs/dbraw/zinc/81/52/92/974815292.db2.gz HLQFSNGQWPPTME-WDEREUQCSA-N 1 0 230.315 2.345 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001172491321 974836537 /nfs/dbraw/zinc/83/65/37/974836537.db2.gz MVLJCBZCIMHSQG-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cncc(C#N)c1 ZINC001172487725 974833723 /nfs/dbraw/zinc/83/37/23/974833723.db2.gz IXNJGJZACAWYKF-NSHDSACASA-N 1 0 228.299 2.125 20 30 BEEDRO COc1cc(CC[NH2+][C@H](C)CCCC#N)ccn1 ZINC001172489411 974834818 /nfs/dbraw/zinc/83/48/18/974834818.db2.gz QFBWBKGZDHKQTO-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCO[C@H]1CCCCO1 ZINC001172489770 974835328 /nfs/dbraw/zinc/83/53/28/974835328.db2.gz ZMPIGVVLCMUCHU-OLZOCXBDSA-N 1 0 240.347 2.202 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172489573 974835435 /nfs/dbraw/zinc/83/54/35/974835435.db2.gz VLXSTKXRZYEAHZ-QWRGUYRKSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001172490953 974837052 /nfs/dbraw/zinc/83/70/52/974837052.db2.gz AZQRUCCFSRBVCX-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2c(C#N)cccc2OC)C1 ZINC001226247246 974837660 /nfs/dbraw/zinc/83/76/60/974837660.db2.gz KKINSUYAFYTSAO-LBPRGKRZSA-N 1 0 246.310 2.040 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001172490957 974838077 /nfs/dbraw/zinc/83/80/77/974838077.db2.gz AZQRUCCFSRBVCX-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](CO)CC1 ZINC001172492156 974839393 /nfs/dbraw/zinc/83/93/93/974839393.db2.gz JBFJSSUXORLMCJ-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001172492148 974839525 /nfs/dbraw/zinc/83/95/25/974839525.db2.gz JBAQGTOHYBRKBY-MNOVXSKESA-N 1 0 246.301 2.018 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1COc2cnccc21 ZINC001172492817 974839606 /nfs/dbraw/zinc/83/96/06/974839606.db2.gz OSLXFJDHKXFMEF-NWDGAFQWSA-N 1 0 245.326 2.230 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccc(CO)cc1 ZINC001172493068 974841328 /nfs/dbraw/zinc/84/13/28/974841328.db2.gz SCSRHLNWMUHSGO-ZDUSSCGKSA-N 1 0 246.354 2.393 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H](CO)c1ccccc1 ZINC001172493460 974841435 /nfs/dbraw/zinc/84/14/35/974841435.db2.gz ZXWNCWFURXHLRV-ZFWWWQNUSA-N 1 0 246.354 2.434 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001172494716 974843989 /nfs/dbraw/zinc/84/39/89/974843989.db2.gz XOHLGYUSVZNECM-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC2(COC2)C1 ZINC001172495048 974844692 /nfs/dbraw/zinc/84/46/92/974844692.db2.gz BAMMJWPRGQNCIS-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001172494717 974845422 /nfs/dbraw/zinc/84/54/22/974845422.db2.gz XOHLGYUSVZNECM-XQQFMLRXSA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H](C)CCCC#N)CCO1 ZINC001172497750 974846869 /nfs/dbraw/zinc/84/68/69/974846869.db2.gz FKVHQQOOCZTWFO-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001172498631 974847881 /nfs/dbraw/zinc/84/78/81/974847881.db2.gz OURMIIDJDVGCCX-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)[N@H+](C)[C@@H]1CCN([C@@H](C)CCCC#N)C1 ZINC001172499409 974850007 /nfs/dbraw/zinc/85/00/07/974850007.db2.gz WWBZAELUYBLXPW-UONOGXRCSA-N 1 0 237.391 2.483 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](N(C)C2CC2)C1 ZINC001172499545 974851093 /nfs/dbraw/zinc/85/10/93/974851093.db2.gz YFBIYYJVKXRTTH-TZMCWYRMSA-N 1 0 235.375 2.237 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001172499304 974851243 /nfs/dbraw/zinc/85/12/43/974851243.db2.gz WDRSOUGVTBHPJR-LLVKDONJSA-N 1 0 245.326 2.228 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001172499187 974851637 /nfs/dbraw/zinc/85/16/37/974851637.db2.gz BTBMAIKAGJYNDU-PEBLQZBPSA-N 1 0 234.343 2.178 20 30 BEEDRO Cc1noc([C@H]2CC[N@@H+]([C@@H](C)CCCC#N)C2)n1 ZINC001172498841 974851931 /nfs/dbraw/zinc/85/19/31/974851931.db2.gz RNRIKLXQTOUJCX-JQWIXIFHSA-N 1 0 248.330 2.250 20 30 BEEDRO CCCCCCC[C@@H](CCC)[NH2+]C[C@@H](O)CO ZINC001172501834 974853284 /nfs/dbraw/zinc/85/32/84/974853284.db2.gz KXWPQABGXJLGKP-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCC[C@H](CCC)[NH2+]C(CO)CO ZINC001172501824 974853585 /nfs/dbraw/zinc/85/35/85/974853585.db2.gz KSRUGRCJWUOTRV-ZDUSSCGKSA-N 1 0 245.407 2.458 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172502322 974857028 /nfs/dbraw/zinc/85/70/28/974857028.db2.gz UJSDFKAYPRFCFM-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCCC#N)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001172503733 974857085 /nfs/dbraw/zinc/85/70/85/974857085.db2.gz BYLXYPKGRTWPLB-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO CC[N@H+](CCN1CCCC1)[C@H](C)CCCC#N ZINC001172504009 974857273 /nfs/dbraw/zinc/85/72/73/974857273.db2.gz DMOCIGKUWQYKLS-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO CCCCCCCC[C@@H](CC)[NH2+]C[C@@H](O)CO ZINC001172506344 974859060 /nfs/dbraw/zinc/85/90/60/974859060.db2.gz RQRRAOXKHOFFBC-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001172506497 974859188 /nfs/dbraw/zinc/85/91/88/974859188.db2.gz VACRQBSOUIYPTH-AGIUHOORSA-N 1 0 234.343 2.370 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C(F)F)nc1 ZINC001331954889 974887240 /nfs/dbraw/zinc/88/72/40/974887240.db2.gz OYCUBZDMPIORCV-JTQLQIEISA-N 1 0 242.269 2.310 20 30 BEEDRO CC1(C)CC([NH2+]CCS)CC(C)(C)O1 ZINC001172644578 974893102 /nfs/dbraw/zinc/89/31/02/974893102.db2.gz UWCVOHGATATCHJ-UHFFFAOYSA-N 1 0 217.378 2.242 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCC[C@@H](C(=O)OC)C2)C1 ZINC001172630495 974893165 /nfs/dbraw/zinc/89/31/65/974893165.db2.gz NUZBFEXSLLBTMV-MCIONIFRSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC1([NH2+]C2CC(C)(C)OC(C)(C)C2)CC1 ZINC001172650761 974896345 /nfs/dbraw/zinc/89/63/45/974896345.db2.gz PVJIJVUWIOGFIS-UHFFFAOYSA-N 1 0 221.344 2.478 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC001331984635 974904715 /nfs/dbraw/zinc/90/47/15/974904715.db2.gz RBHZTMSTOWYSST-CYZMBNFOSA-N 1 0 245.326 2.171 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1c(O)cccc1C#N ZINC001226517893 974940485 /nfs/dbraw/zinc/94/04/85/974940485.db2.gz LQIPHGOZUHYMAY-NSHDSACASA-N 1 0 248.326 2.373 20 30 BEEDRO COC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)CC#N)CC1 ZINC001172797166 974951722 /nfs/dbraw/zinc/95/17/22/974951722.db2.gz GYDUUULSPFDJFA-SDDRHHMPSA-N 1 0 238.331 2.000 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC001172924954 974973040 /nfs/dbraw/zinc/97/30/40/974973040.db2.gz BNOAJUDNKBCPOK-QWRGUYRKSA-N 1 0 234.299 2.198 20 30 BEEDRO C#CC1([NH2+]C2CCC3(CCOCC3)CC2)CC1 ZINC001173041673 975013667 /nfs/dbraw/zinc/01/36/67/975013667.db2.gz JQVDWLKYTSRZCY-UHFFFAOYSA-N 1 0 233.355 2.481 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC(OCCC)CC1 ZINC001173093170 975019235 /nfs/dbraw/zinc/01/92/35/975019235.db2.gz OMXJBVXRIZODRN-PNESKVBLSA-N 1 0 209.333 2.336 20 30 BEEDRO CC[NH+](CC)C1CCC([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001173114302 975024439 /nfs/dbraw/zinc/02/44/39/975024439.db2.gz FNQGAZKHFYRSPJ-WLYUNCDWSA-N 1 0 249.402 2.485 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173120102 975028239 /nfs/dbraw/zinc/02/82/39/975028239.db2.gz CYQZZASHNHVRGC-SECBINFHSA-N 1 0 220.341 2.002 20 30 BEEDRO N#CC1CC[NH+]([C@H]2CCc3ncsc3C2)CC1 ZINC001173136975 975041194 /nfs/dbraw/zinc/04/11/94/975041194.db2.gz TXZZXUBCQAUMJL-NSHDSACASA-N 1 0 247.367 2.236 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCc2ncsc2C1 ZINC001173138487 975042297 /nfs/dbraw/zinc/04/22/97/975042297.db2.gz RBHYVHJJGIUPHF-VIFPVBQESA-N 1 0 208.330 2.118 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1COc2cccc(OC)c2C1 ZINC001173143590 975045771 /nfs/dbraw/zinc/04/57/71/975045771.db2.gz AVYUARYXAOQNMU-NSHDSACASA-N 1 0 233.311 2.164 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC001332314784 975050637 /nfs/dbraw/zinc/05/06/37/975050637.db2.gz LMYCBIDATYJCLS-WDEREUQCSA-N 1 0 236.340 2.277 20 30 BEEDRO C#CC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173220061 975073599 /nfs/dbraw/zinc/07/35/99/975073599.db2.gz SKAHGTLHJINPKU-LLVKDONJSA-N 1 0 244.294 2.281 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CC[C@@H](CC)C1)C(=O)NO ZINC001173270468 975140867 /nfs/dbraw/zinc/14/08/67/975140867.db2.gz BOPUXMWADGUBCB-QCNOEVLYSA-N 1 0 242.363 2.075 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCC1)C2 ZINC001095083372 975164228 /nfs/dbraw/zinc/16/42/28/975164228.db2.gz BHCMXCDNYNHWOA-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO CCSC[C@@H](C)[NH2+]Cc1ccc(C#N)nc1 ZINC001173294895 975171686 /nfs/dbraw/zinc/17/16/86/975171686.db2.gz HUHALVGNJWAOKV-SNVBAGLBSA-N 1 0 235.356 2.184 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cocn2)CC1 ZINC001173314000 975213775 /nfs/dbraw/zinc/21/37/75/975213775.db2.gz DWDDCPKXJFHVMP-UHFFFAOYSA-N 1 0 236.315 2.278 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC(OCC=C)CC1 ZINC001173314053 975224851 /nfs/dbraw/zinc/22/48/51/975224851.db2.gz IAEGLYXDWKOYFG-PNESKVBLSA-N 1 0 207.317 2.112 20 30 BEEDRO CC(C)[N@H+](CCc1ccccc1)C[C@H](O)CC#N ZINC001332613820 975228535 /nfs/dbraw/zinc/22/85/35/975228535.db2.gz QHZNPIQVZDBTPE-OAHLLOKOSA-N 1 0 246.354 2.214 20 30 BEEDRO C[NH+]1CCC(Oc2cc(C#N)ccc2F)CC1 ZINC001227054636 975244977 /nfs/dbraw/zinc/24/49/77/975244977.db2.gz AOLSKXFGQJXNHF-UHFFFAOYSA-N 1 0 234.274 2.170 20 30 BEEDRO C=CCCC(=O)N(CC[N@@H+](C)CC)C(C)C ZINC001332692629 975254170 /nfs/dbraw/zinc/25/41/70/975254170.db2.gz DABLZWYWQWRKAZ-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@@H](CC1CC1)c1ccccc1 ZINC001332700175 975259232 /nfs/dbraw/zinc/25/92/32/975259232.db2.gz LYBUSXIXLUEGPJ-CABCVRRESA-N 1 0 244.338 2.392 20 30 BEEDRO C=CCOC1CCC([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001173323732 975270004 /nfs/dbraw/zinc/27/00/04/975270004.db2.gz FVVVJVMSWSKUBY-IYXRBSQSSA-N 1 0 234.343 2.346 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001332716128 975270212 /nfs/dbraw/zinc/27/02/12/975270212.db2.gz DNXRMOBQWWNRNC-GOEBONIOSA-N 1 0 245.366 2.290 20 30 BEEDRO Cc1ccnc(C[NH2+]C2CCC(CC#N)CC2)n1 ZINC001173324239 975270354 /nfs/dbraw/zinc/27/03/54/975270354.db2.gz JRQAWGKKRVWATR-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CC(=O)C(C)(C)[NH2+]C1CCC(CC#N)CC1 ZINC001173324458 975271216 /nfs/dbraw/zinc/27/12/16/975271216.db2.gz NRMRSYNBMMENLX-UHFFFAOYSA-N 1 0 222.332 2.416 20 30 BEEDRO C=CCOC1CCC([N@H+](C)CC2COC2)CC1 ZINC001173326428 975272922 /nfs/dbraw/zinc/27/29/22/975272922.db2.gz HIVSJWLLUUVKNB-UHFFFAOYSA-N 1 0 239.359 2.078 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2CC3(CCC3)C2)C1 ZINC001332740003 975276989 /nfs/dbraw/zinc/27/69/89/975276989.db2.gz XPCIPMDDUYBEEA-ZDUSSCGKSA-N 1 0 232.371 2.006 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ccnnc2)CC1 ZINC001173327513 975277229 /nfs/dbraw/zinc/27/72/29/975277229.db2.gz DJWUXYLPGAEPGS-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2cocn2)CC1 ZINC001173329510 975278231 /nfs/dbraw/zinc/27/82/31/975278231.db2.gz JFGXJMHQGOYOTJ-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO N#CCC1CCC([NH2+]CCc2ncccn2)CC1 ZINC001173330282 975279256 /nfs/dbraw/zinc/27/92/56/975279256.db2.gz NHXDEGNYEJQVAP-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO N#CCC1CCC(n2ccnc2CCC[NH3+])CC1 ZINC001173332774 975281804 /nfs/dbraw/zinc/28/18/04/975281804.db2.gz SZEZERKHURYUJP-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO N#CCC1CCC([N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC001173332332 975282147 /nfs/dbraw/zinc/28/21/47/975282147.db2.gz ZJEYOWHOQDVYHY-JXQTWKCFSA-N 1 0 236.359 2.306 20 30 BEEDRO COC1CC(C[NH2+]C2CCC(CC#N)CC2)C1 ZINC001173332856 975282297 /nfs/dbraw/zinc/28/22/97/975282297.db2.gz UYLKUMJFUWZORW-UHFFFAOYSA-N 1 0 236.359 2.473 20 30 BEEDRO C[N@H+](CCC#N)C1CCC(CC#N)CC1 ZINC001173332904 975282508 /nfs/dbraw/zinc/28/25/08/975282508.db2.gz WIJYAJYWFHPXJD-UHFFFAOYSA-N 1 0 205.305 2.304 20 30 BEEDRO CN1CC[C@H]([N@H+](C)C2CCC(CC#N)CC2)C1 ZINC001173339858 975284564 /nfs/dbraw/zinc/28/45/64/975284564.db2.gz VMSDWHLZRXMKIT-RUXDESIVSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H]2C[C@H]2CC)C1 ZINC001332868035 975302634 /nfs/dbraw/zinc/30/26/34/975302634.db2.gz KHZPCHIBBQQASC-FRRDWIJNSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H](CO)CCC)CC1 ZINC001173315695 975304079 /nfs/dbraw/zinc/30/40/79/975304079.db2.gz PPEFFRCCWCWHGR-ROKHWSDSSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCOC1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001173315991 975305215 /nfs/dbraw/zinc/30/52/15/975305215.db2.gz UVHBTTMOMAUDHZ-UHFFFAOYSA-N 1 0 249.358 2.071 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC001332880214 975306615 /nfs/dbraw/zinc/30/66/15/975306615.db2.gz FOIVBUUPGFCBRY-XQQFMLRXSA-N 1 0 229.364 2.107 20 30 BEEDRO C=CCOC1CCC([NH2+][C@]2(C)CCOC2)CC1 ZINC001173318227 975306985 /nfs/dbraw/zinc/30/69/85/975306985.db2.gz XUCXIFJDQSESEJ-JXQTWKCFSA-N 1 0 239.359 2.269 20 30 BEEDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001332886878 975309775 /nfs/dbraw/zinc/30/97/75/975309775.db2.gz USEGXJVCXGMVLK-UPJWGTAASA-N 1 0 224.348 2.065 20 30 BEEDRO CCN1CC[C@@H](NC(=[NH2+])c2ccc(C)c(C)c2)C1 ZINC001173356024 975311707 /nfs/dbraw/zinc/31/17/07/975311707.db2.gz AWGJNLWIRTZCRT-CQSZACIVSA-N 1 0 245.370 2.103 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC001332957601 975340216 /nfs/dbraw/zinc/34/02/16/975340216.db2.gz CMNRKXCYZKCCKP-NWDGAFQWSA-N 1 0 248.326 2.102 20 30 BEEDRO N#CC1CCC(C[N@@H+](CCO)C2CCC2)CC1 ZINC001332968437 975346098 /nfs/dbraw/zinc/34/60/98/975346098.db2.gz OLDTUALHODFJHW-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333001606 975364849 /nfs/dbraw/zinc/36/48/49/975364849.db2.gz KDSNHIARKNZIFX-CHWFTXMASA-N 1 0 213.271 2.231 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1cc(C#N)ccc1O ZINC001227346977 975369832 /nfs/dbraw/zinc/36/98/32/975369832.db2.gz YMCBERRFGVWGQT-NSHDSACASA-N 1 0 248.326 2.373 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CCCCC(=O)OC ZINC001173437630 975371994 /nfs/dbraw/zinc/37/19/94/975371994.db2.gz LIOWFIWSFKHRLA-GFCCVEGCSA-N 1 0 225.332 2.111 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+]C1CC(C#N)C1 ZINC001173443215 975382934 /nfs/dbraw/zinc/38/29/34/975382934.db2.gz NVOSROIANLBWLA-VOMCLLRMSA-N 1 0 238.331 2.000 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CCCCC(=O)OC ZINC001173451691 975391642 /nfs/dbraw/zinc/39/16/42/975391642.db2.gz GENRJBWGPBTJFY-JSGCOSHPSA-N 1 0 239.359 2.500 20 30 BEEDRO CC[C@@](C)(C#N)N[C@@H](C)CCCCC(=O)OC ZINC001173454060 975395566 /nfs/dbraw/zinc/39/55/66/975395566.db2.gz PLYIUMVBDHZBGG-AAEUAGOBSA-N 1 0 240.347 2.390 20 30 BEEDRO CCC[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588961 975433930 /nfs/dbraw/zinc/43/39/30/975433930.db2.gz OXWJVBXQBVESJZ-CPCZMJQVSA-N 1 0 224.348 2.209 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC001173587183 975435876 /nfs/dbraw/zinc/43/58/76/975435876.db2.gz QYMWIYDCCBMTGH-NELGMTEASA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2Cc3cncnc3C2)CC1 ZINC001173592605 975439813 /nfs/dbraw/zinc/43/98/13/975439813.db2.gz VNNPMJYBVIQUSB-UHFFFAOYSA-N 1 0 242.326 2.265 20 30 BEEDRO C[C@H]1CN(C)CC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592088 975443231 /nfs/dbraw/zinc/44/32/31/975443231.db2.gz FLUCUUKHXWIJAC-FGZQJIAISA-N 1 0 249.402 2.389 20 30 BEEDRO CC1(C#N)CCC(n2ccnc2CCC[NH3+])CC1 ZINC001173592065 975446391 /nfs/dbraw/zinc/44/63/91/975446391.db2.gz DXDOMAQSIDOISM-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CC[C@H]1O ZINC001173594261 975450724 /nfs/dbraw/zinc/45/07/24/975450724.db2.gz XHOGQZLAWKDYOT-RJZJGCCBSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@]1(CO)CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592898 975451307 /nfs/dbraw/zinc/45/13/07/975451307.db2.gz CLCMTNUHMQRUJU-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO CN(C)[C@@H]1CCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173596017 975460811 /nfs/dbraw/zinc/46/08/11/975460811.db2.gz GQWCKFQEEDCXFX-SHARSMKWSA-N 1 0 249.402 2.485 20 30 BEEDRO CCN1CC[N@@H+](C2CCC(C)(C#N)CC2)[C@H](C)C1 ZINC001173597373 975463175 /nfs/dbraw/zinc/46/31/75/975463175.db2.gz QUYJSTQDZSJEHL-WLYUNCDWSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173600257 975463741 /nfs/dbraw/zinc/46/37/41/975463741.db2.gz XJKJUYFOWATVPT-ZIHBUVQPSA-N 1 0 236.359 2.304 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2C[C@H]3CC[C@@H]2CO3)CC1 ZINC001173597550 975467730 /nfs/dbraw/zinc/46/77/30/975467730.db2.gz YDUXAZBSDDCSJY-CEUNDQEZSA-N 1 0 234.343 2.322 20 30 BEEDRO C[NH+](C)C1(C)CN(C2CCC(C)(C#N)CC2)C1 ZINC001173600228 975473173 /nfs/dbraw/zinc/47/31/73/975473173.db2.gz XEOVXRNCAHONPG-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC2(C[C@@H]2C(=O)OCC)CC1 ZINC001173608267 975475828 /nfs/dbraw/zinc/47/58/28/975475828.db2.gz FJYFXNBJSSJJCZ-OYNVLQORSA-N 1 0 249.354 2.110 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173627890 975493736 /nfs/dbraw/zinc/49/37/36/975493736.db2.gz PWSOAOYQYQXKQX-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173629003 975497717 /nfs/dbraw/zinc/49/77/17/975497717.db2.gz VVBOKYAWPRUOMN-VXGBXAGGSA-N 1 0 237.343 2.110 20 30 BEEDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)CC#N)C1 ZINC001173650999 975513774 /nfs/dbraw/zinc/51/37/74/975513774.db2.gz JUBHPYUNXYIPFR-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173711403 975520433 /nfs/dbraw/zinc/52/04/33/975520433.db2.gz HWBPHPDRBKUPIU-LLVKDONJSA-N 1 0 233.311 2.180 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCOCCCO ZINC001333323950 975665649 /nfs/dbraw/zinc/66/56/49/975665649.db2.gz YPHMWRSXZFMWFI-KBPBESRZSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](CCC)OC)C1 ZINC001333372074 975718655 /nfs/dbraw/zinc/71/86/55/975718655.db2.gz UDXISSZQWLBVNK-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO Cc1cc(C#N)cc(O[C@H]2CCC[N@@H+](C)C2)c1 ZINC001227835164 975722320 /nfs/dbraw/zinc/72/23/20/975722320.db2.gz JBYDFZRCGKKYEG-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1cc(C#N)cc(O[C@@H](C)C[NH+](C)C)c1 ZINC001227835085 975726941 /nfs/dbraw/zinc/72/69/41/975726941.db2.gz HTUJHQIDPMAFSS-NSHDSACASA-N 1 0 218.300 2.196 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCC[C@H](SC)C1 ZINC001333505900 975822035 /nfs/dbraw/zinc/82/20/35/975822035.db2.gz XKWPQBPVTJBHRC-WOPDTQHZSA-N 1 0 229.389 2.451 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2cc(O)ccc2C#N)CC1 ZINC001228005227 975846819 /nfs/dbraw/zinc/84/68/19/975846819.db2.gz JEKYDQYDPWSPPZ-ZDUSSCGKSA-N 1 0 246.310 2.127 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC001346299473 1169996243 /nfs/dbraw/zinc/99/62/43/1169996243.db2.gz NOFYKBRXEXCOQF-HUUCEWRRSA-N 1 0 231.339 2.420 20 30 BEEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)C/C=C(\C)C=C ZINC001277271394 975925563 /nfs/dbraw/zinc/92/55/63/975925563.db2.gz HGSJZFZJZAZWKC-SSUFTNFISA-N 1 0 248.370 2.017 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)o1)CC1CC1 ZINC001333646226 975926467 /nfs/dbraw/zinc/92/64/67/975926467.db2.gz NIPQDTLTCQRYMB-UHFFFAOYSA-N 1 0 219.284 2.133 20 30 BEEDRO N#Cc1sccc1Nc1cc[nH+]cc1 ZINC001173882537 975931400 /nfs/dbraw/zinc/93/14/00/975931400.db2.gz YRGFKGKVVMSFNW-UHFFFAOYSA-N 1 0 201.254 2.180 20 30 BEEDRO N#Cc1cc(F)c(F)cc1Nc1cc[nH+]cc1 ZINC001173884863 975964592 /nfs/dbraw/zinc/96/45/92/975964592.db2.gz VOSALRYDNGRHIR-UHFFFAOYSA-N 1 0 231.205 2.397 20 30 BEEDRO C#CC[N@@H+](Cc1cc(OC)ccn1)C(C)(C)C ZINC001333760030 976067071 /nfs/dbraw/zinc/06/70/71/976067071.db2.gz NLUMIUYWEFTLFQ-UHFFFAOYSA-N 1 0 232.327 2.324 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1nccc(C)c1C#N ZINC001228304346 976089301 /nfs/dbraw/zinc/08/93/01/976089301.db2.gz BCQGNSSZPIPYDC-GFCCVEGCSA-N 1 0 247.342 2.371 20 30 BEEDRO CC(=O)/C=C/c1ccc(O[C@H]2CC[N@@H+](C)C2)cc1 ZINC001228496482 976264989 /nfs/dbraw/zinc/26/49/89/976264989.db2.gz LRAHLLNPJCSJBN-BWPKMQGJSA-N 1 0 245.322 2.372 20 30 BEEDRO CC(=O)/C=C\c1ccc(O[C@H]2CC[N@@H+](C)C2)cc1 ZINC001228496483 976268226 /nfs/dbraw/zinc/26/82/26/976268226.db2.gz LRAHLLNPJCSJBN-JZIMQPMSSA-N 1 0 245.322 2.372 20 30 BEEDRO C#CC[N@@H+](Cc1cn(CC)nc1C)CC1CC1 ZINC001334142684 976329700 /nfs/dbraw/zinc/32/97/00/976329700.db2.gz YSOOCHNTIJKNRD-UHFFFAOYSA-N 1 0 231.343 2.057 20 30 BEEDRO Cc1cc(F)c(C#N)c(NCC[NH+]2CC=CC2)c1 ZINC001334153959 976336469 /nfs/dbraw/zinc/33/64/69/976336469.db2.gz GRJCQMNBXMJUOV-UHFFFAOYSA-N 1 0 245.301 2.290 20 30 BEEDRO C#Cc1ccc(Nc2ccc3[nH+]ccn3c2)cn1 ZINC001174279175 976428401 /nfs/dbraw/zinc/42/84/01/976428401.db2.gz VNVGGTPTIAXNIR-UHFFFAOYSA-N 1 0 234.262 2.454 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC001334321680 976447820 /nfs/dbraw/zinc/44/78/20/976447820.db2.gz SNCUSBXDMALSMQ-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)c(O)c1)C(C)C ZINC001334332084 976451357 /nfs/dbraw/zinc/45/13/57/976451357.db2.gz IFTWFCBETYDAFL-UHFFFAOYSA-N 1 0 233.311 2.244 20 30 BEEDRO CC(C)C1(C[NH+]2C[C@H](C)N(CC#N)[C@@H](C)C2)CC1 ZINC001334386210 976483153 /nfs/dbraw/zinc/48/31/53/976483153.db2.gz XZOCQOWCCYSBOU-KBPBESRZSA-N 1 0 249.402 2.341 20 30 BEEDRO N#Cc1ccncc1Nc1ccc2[nH+]ccn2c1 ZINC001174277373 976503736 /nfs/dbraw/zinc/50/37/36/976503736.db2.gz SBYVGKHEBNTVMN-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C=CCc1ccccc1OC[C@@H]1CN(C)CCO1 ZINC001228847173 976523215 /nfs/dbraw/zinc/52/32/15/976523215.db2.gz RLBZOAMLHPWMMG-AWEZNQCLSA-N 1 0 247.338 2.125 20 30 BEEDRO Cc1[nH+]cn(-c2ccc(Cl)c(C#N)c2)c1N ZINC001174402866 976593930 /nfs/dbraw/zinc/59/39/30/976593930.db2.gz YQCXPIDNOVQRQF-UHFFFAOYSA-N 1 0 232.674 2.288 20 30 BEEDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001334794185 976674038 /nfs/dbraw/zinc/67/40/38/976674038.db2.gz LCVFEKIVIORYHN-QJPTWQEYSA-N 1 0 224.348 2.065 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2cc(C#N)ccc2Cl)C1 ZINC001229249448 976805649 /nfs/dbraw/zinc/80/56/49/976805649.db2.gz WZMXDWLCABRBHP-SNVBAGLBSA-N 1 0 236.702 2.295 20 30 BEEDRO COc1cc(C#N)ccc1Nc1cc[nH+]cc1C ZINC001174538978 976828098 /nfs/dbraw/zinc/82/80/98/976828098.db2.gz AHMKCRZDRXEEAT-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=CCc1ccc(O)c(O[C@@H](C)C[NH+](C)C)c1 ZINC001229338991 976840085 /nfs/dbraw/zinc/84/00/85/976840085.db2.gz SICANRJJKCKEBR-NSHDSACASA-N 1 0 235.327 2.450 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC001335099821 976849980 /nfs/dbraw/zinc/84/99/80/976849980.db2.gz HTOXVFYDYJOALL-MRXNPFEDSA-N 1 0 243.350 2.383 20 30 BEEDRO Cc1cc(Nc2ccc(Cl)nc2C#N)cc[nH+]1 ZINC001174652241 976932149 /nfs/dbraw/zinc/93/21/49/976932149.db2.gz UFGNJBMLWXVCAS-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO Cc1c(C)n(-c2cc[nH+]c(C)c2)c(N)c1C#N ZINC001174652187 976932699 /nfs/dbraw/zinc/93/26/99/976932699.db2.gz RSVMRMIFXHTGRV-UHFFFAOYSA-N 1 0 226.283 2.251 20 30 BEEDRO Cc1cc(Nc2cc(C#N)cnc2C)cc[nH+]1 ZINC001174653580 976939701 /nfs/dbraw/zinc/93/97/01/976939701.db2.gz RLYSNTIIKKMXSZ-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cc(Nc2cnc(C#N)c(Cl)c2)cc[nH+]1 ZINC001174652937 976940863 /nfs/dbraw/zinc/94/08/63/976940863.db2.gz JSLMVVOOTHQFDS-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO COc1ccc(C#N)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174657129 976953053 /nfs/dbraw/zinc/95/30/53/976953053.db2.gz OJTNCIWBCIUBLQ-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO COc1cc(Nc2cc[nH+]c(C)c2)ccc1C#N ZINC001174657076 976954218 /nfs/dbraw/zinc/95/42/18/976954218.db2.gz MZLRGGOOXICVLD-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C[NH+](C)Cc1ccccc1OC1CC(C#N)C1 ZINC001229702187 976958108 /nfs/dbraw/zinc/95/81/08/976958108.db2.gz PNOJQBGDKSXUIM-UHFFFAOYSA-N 1 0 230.311 2.429 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001335350116 976978705 /nfs/dbraw/zinc/97/87/05/976978705.db2.gz CGXHYYKIKSKQKF-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1(C)CC1 ZINC001335365983 977000337 /nfs/dbraw/zinc/00/03/37/977000337.db2.gz FDGCGCLPQUPIGN-WDEREUQCSA-N 1 0 205.305 2.208 20 30 BEEDRO CSCC[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721516033 977010769 /nfs/dbraw/zinc/01/07/69/977010769.db2.gz JMMDYJGCIABULY-JTQLQIEISA-N 1 0 235.356 2.184 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001335441227 977056731 /nfs/dbraw/zinc/05/67/31/977056731.db2.gz NPBDAWJMWXVLPK-DZGCQCFKSA-N 1 0 231.339 2.035 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CC23CCCCC3)CC1 ZINC001335442955 977060112 /nfs/dbraw/zinc/06/01/12/977060112.db2.gz CEZQLPSMDZQBHF-STQMWFEESA-N 1 0 248.370 2.354 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc(C#N)n2)C1 ZINC001230043588 977106546 /nfs/dbraw/zinc/10/65/46/977106546.db2.gz NROFOXGHEQFNJY-CYBMUJFWSA-N 1 0 245.326 2.205 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C1(CCC)CCC1 ZINC001491555707 977113352 /nfs/dbraw/zinc/11/33/52/977113352.db2.gz SSNHCIRDTDYCFT-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC000259985238 977125717 /nfs/dbraw/zinc/12/57/17/977125717.db2.gz KVUYLLLBVILZFY-GFCCVEGCSA-N 1 0 232.331 2.152 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](Cc2cc[nH]c2)C1 ZINC000260006553 977154874 /nfs/dbraw/zinc/15/48/74/977154874.db2.gz MBIITNAWUQRUPH-LLVKDONJSA-N 1 0 203.289 2.140 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)[C@H](CC)CO ZINC001335627206 977193028 /nfs/dbraw/zinc/19/30/28/977193028.db2.gz HYJDIIYQZCQONR-GFCCVEGCSA-N 1 0 223.316 2.081 20 30 BEEDRO C#C[C@H](Oc1ccc2[nH]c(N)[nH+]c2c1)C(C)C ZINC001230515586 977227691 /nfs/dbraw/zinc/22/76/91/977227691.db2.gz CRMLJGGABGRUNP-LBPRGKRZSA-N 1 0 229.283 2.182 20 30 BEEDRO CC#C[C@@H](CC)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230519157 977232147 /nfs/dbraw/zinc/23/21/47/977232147.db2.gz YPFNORCJJHEXEW-SECBINFHSA-N 1 0 229.283 2.326 20 30 BEEDRO C=C(C)CCC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001335743145 977259115 /nfs/dbraw/zinc/25/91/15/977259115.db2.gz ONSRSJLZFOKNMP-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO N#Cc1cncc(C[NH+]2CCC3(CC3)CC2)c1 ZINC000721560713 977275864 /nfs/dbraw/zinc/27/58/64/977275864.db2.gz XJJUKIDEHZUJLI-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)/C(C)=C\CC ZINC001230988298 977420825 /nfs/dbraw/zinc/42/08/25/977420825.db2.gz GCJVFSKACSZDBN-OTAKNEKHSA-N 1 0 236.359 2.061 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC001336014994 977426284 /nfs/dbraw/zinc/42/62/84/977426284.db2.gz BJPJCYKHZNPWPG-BPLDGKMQSA-N 1 0 231.339 2.152 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC001336014996 977428734 /nfs/dbraw/zinc/42/87/34/977428734.db2.gz BJPJCYKHZNPWPG-CFVMTHIKSA-N 1 0 231.339 2.152 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@H](O)CCc1ccccc1 ZINC001336020929 977431330 /nfs/dbraw/zinc/43/13/30/977431330.db2.gz OZYSQZPLFYDFER-HZPDHXFCSA-N 1 0 245.366 2.372 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001336016898 977432123 /nfs/dbraw/zinc/43/21/23/977432123.db2.gz OBOIKBYPHZGTLR-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[N@H+](C)CCCNC(=O)CC1CC1 ZINC001231144966 977510596 /nfs/dbraw/zinc/51/05/96/977510596.db2.gz GFGWAHNPGAAIOF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H]1CSCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721599113 977518566 /nfs/dbraw/zinc/51/85/66/977518566.db2.gz YYLSTVSVVHCGDN-NSHDSACASA-N 1 0 247.367 2.138 20 30 BEEDRO N#Cc1cncc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c1 ZINC000721624564 977591301 /nfs/dbraw/zinc/59/13/01/977591301.db2.gz WPTSADHVGJJTOF-KBPBESRZSA-N 1 0 227.311 2.185 20 30 BEEDRO COc1cc(NC2=CCC[N@H+](C)C2)ccc1C#N ZINC001175579940 977593935 /nfs/dbraw/zinc/59/39/35/977593935.db2.gz ILFQKPGWJWMXHV-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2cc(F)ccc2C#N)C1 ZINC001175580020 977597694 /nfs/dbraw/zinc/59/76/94/977597694.db2.gz UMFPXVSCJFCRTJ-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO Cn1c[nH+]cc1Nc1cc(F)cc(C#N)c1 ZINC001175683408 977653153 /nfs/dbraw/zinc/65/31/53/977653153.db2.gz NLCOEEDWSCFZBU-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO C=CCOc1cccc(CN(C)C2(C)COC2)c1 ZINC001231623987 977655436 /nfs/dbraw/zinc/65/54/36/977655436.db2.gz CCCFNACSUQQWNW-UHFFFAOYSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OCC)nc1 ZINC001231654898 977667931 /nfs/dbraw/zinc/66/79/31/977667931.db2.gz VKDAMPSYYDNJCY-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC001231664334 977677357 /nfs/dbraw/zinc/67/73/57/977677357.db2.gz ZWRCXOGCWXMVTQ-OAHLLOKOSA-N 1 0 243.350 2.403 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H]1CN(CC)C(=O)O1 ZINC001336477968 977711784 /nfs/dbraw/zinc/71/17/84/977711784.db2.gz SUGIEPBUZPUADH-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C#Cc1ccc(N[C@H]2CCCC[C@H]2[NH+](C)C)nc1 ZINC001336517107 977744012 /nfs/dbraw/zinc/74/40/12/977744012.db2.gz QOXHDRMWOUQEQO-UONOGXRCSA-N 1 0 243.354 2.348 20 30 BEEDRO CN(CCC#N)c1ccc(C[NH+](C)C)cc1 ZINC001231818702 977757821 /nfs/dbraw/zinc/75/78/21/977757821.db2.gz OTPXYJJMRIVQJW-UHFFFAOYSA-N 1 0 217.316 2.098 20 30 BEEDRO C#CC[NH+](CC#C)Cc1c(C)cc(C)cc1O ZINC001231850561 977770367 /nfs/dbraw/zinc/77/03/67/977770367.db2.gz RUJNOCDWLQRAML-UHFFFAOYSA-N 1 0 227.307 2.077 20 30 BEEDRO C=CC(C)(C)NC(=O)CN(C)Cc1ccccc1 ZINC001336627135 977820034 /nfs/dbraw/zinc/82/00/34/977820034.db2.gz KILWYRSURLQCNB-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO Cc1cc(F)ncc1C[NH+]1CCC(S)CC1 ZINC001231983343 977824594 /nfs/dbraw/zinc/82/45/94/977824594.db2.gz UIYDYMXNHSVZMT-UHFFFAOYSA-N 1 0 240.347 2.423 20 30 BEEDRO CCN(CCC#N)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232014995 977843778 /nfs/dbraw/zinc/84/37/78/977843778.db2.gz ZEPUBUVIEQTPOD-UHFFFAOYSA-N 1 0 228.299 2.298 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232018964 977843879 /nfs/dbraw/zinc/84/38/79/977843879.db2.gz UCQGMFNDKWESTM-CQSZACIVSA-N 1 0 240.310 2.298 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Nc2ccc(CC)cn2)C1 ZINC001336726960 977885362 /nfs/dbraw/zinc/88/53/62/977885362.db2.gz SPECESSPSQPIOM-AWEZNQCLSA-N 1 0 243.354 2.154 20 30 BEEDRO COc1cc(C#N)c(F)cc1Nc1[nH]cc[nH+]1 ZINC001176085560 977887724 /nfs/dbraw/zinc/88/77/24/977887724.db2.gz KVROCZSHVFCKPF-UHFFFAOYSA-N 1 0 232.218 2.173 20 30 BEEDRO CC(C)(O)C#Cc1cccc(Nc2[nH]cc[nH+]2)c1 ZINC001176085672 977889743 /nfs/dbraw/zinc/88/97/43/977889743.db2.gz NOPVCUGNQBOYNL-UHFFFAOYSA-N 1 0 241.294 2.276 20 30 BEEDRO COc1ccc(C[NH+]2CCCC2)c(C#N)c1 ZINC000260805553 977891634 /nfs/dbraw/zinc/89/16/34/977891634.db2.gz MHVRJFMQGWSIPL-UHFFFAOYSA-N 1 0 216.284 2.163 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC001336734326 977894313 /nfs/dbraw/zinc/89/43/13/977894313.db2.gz XICTWXAMTUKMIM-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO Cc1cc(Nc2cc(C#N)ccc2O)cc(C)[nH+]1 ZINC001176055495 977903400 /nfs/dbraw/zinc/90/34/00/977903400.db2.gz GDUCBGWHFMNULZ-UHFFFAOYSA-N 1 0 239.278 2.441 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001336776989 977945981 /nfs/dbraw/zinc/94/59/81/977945981.db2.gz XRDHQWPATWXRKV-SOUVJXGZSA-N 1 0 233.355 2.289 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC001336837450 977994717 /nfs/dbraw/zinc/99/47/17/977994717.db2.gz USPYJJZDDPGVIO-SSDOTTSWSA-N 1 0 231.246 2.452 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OCC)nc1C ZINC001232312240 977998137 /nfs/dbraw/zinc/99/81/37/977998137.db2.gz BRIUTRYIMYVGPU-UHFFFAOYSA-N 1 0 220.316 2.407 20 30 BEEDRO Cc1nc(N)ccc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001232341181 978017921 /nfs/dbraw/zinc/01/79/21/978017921.db2.gz NKUQWUTVMZYKHA-GFCCVEGCSA-N 1 0 244.342 2.098 20 30 BEEDRO C#CCN(CC#C)Cc1cnc(SC)cc1C ZINC001232349238 978034745 /nfs/dbraw/zinc/03/47/45/978034745.db2.gz AOFQEZAIRABAMN-UHFFFAOYSA-N 1 0 244.363 2.180 20 30 BEEDRO C#CC[N@H+](C[C@H]1COc2ccccc2O1)C(C)C ZINC001176373359 978059185 /nfs/dbraw/zinc/05/91/85/978059185.db2.gz PSOUPCCQAVPUKE-ZDUSSCGKSA-N 1 0 245.322 2.170 20 30 BEEDRO C#CC[N@@H+](CCN(C)c1ccccc1)C(C)C ZINC001176372848 978061758 /nfs/dbraw/zinc/06/17/58/978061758.db2.gz JYHZUZAPSBJXLT-UHFFFAOYSA-N 1 0 230.355 2.466 20 30 BEEDRO N#C[C@H]1CCC[N@H+](Cc2[nH]nc3c2CCC3)CC1 ZINC001232429704 978073141 /nfs/dbraw/zinc/07/31/41/978073141.db2.gz ZCGHVWIHTMORQR-NSHDSACASA-N 1 0 244.342 2.024 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(CC#N)CC2)CCO1 ZINC000261074951 978098606 /nfs/dbraw/zinc/09/86/06/978098606.db2.gz QIJLBCZISPPAMK-PNESKVBLSA-N 1 0 222.332 2.180 20 30 BEEDRO CCCC[N@H+](C)Cc1cc(C#N)ccn1 ZINC001232474680 978123409 /nfs/dbraw/zinc/12/34/09/978123409.db2.gz HSXHGRBZLTUPSG-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(C#N)ccn2)C1 ZINC001232478975 978130982 /nfs/dbraw/zinc/13/09/82/978130982.db2.gz LUYWJNCPJYLFMT-TXEJJXNPSA-N 1 0 229.327 2.431 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001337077467 978156981 /nfs/dbraw/zinc/15/69/81/978156981.db2.gz ZORNTZQXHGKRED-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO N#CCCOCC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176658694 978157347 /nfs/dbraw/zinc/15/73/47/978157347.db2.gz VVZVWFNFJVZPBH-GJZGRUSLSA-N 1 0 248.370 2.427 20 30 BEEDRO FCc1cccc(C[NH+]2CCC(S)CC2)n1 ZINC001232536279 978165196 /nfs/dbraw/zinc/16/51/96/978165196.db2.gz ALQRTXJOEWYLSL-UHFFFAOYSA-N 1 0 240.347 2.445 20 30 BEEDRO C=C(C)CCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC001337164300 978193393 /nfs/dbraw/zinc/19/33/93/978193393.db2.gz CTGNUGKQLRUZBB-UHFFFAOYSA-N 1 0 233.315 2.442 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC001337250582 978247724 /nfs/dbraw/zinc/24/77/24/978247724.db2.gz UFQHDPDKGQTUBB-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(CCO)cc2)C1 ZINC001232776657 978269145 /nfs/dbraw/zinc/26/91/45/978269145.db2.gz IUABWTDNNQIRLC-CQSZACIVSA-N 1 0 243.350 2.067 20 30 BEEDRO Cc1ccc(C#N)nc1NC[C@H]1CCCC[N@H+]1C ZINC001337307523 978275756 /nfs/dbraw/zinc/27/57/56/978275756.db2.gz VAASGVGJIXYDCL-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO C#C[C@@H](OCCC[NH+](C)C)c1ccccc1 ZINC001206296203 978297723 /nfs/dbraw/zinc/29/77/23/978297723.db2.gz KZTCWJJJQHCLRK-CQSZACIVSA-N 1 0 217.312 2.329 20 30 BEEDRO C[C@]1(CF)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001232922800 978335665 /nfs/dbraw/zinc/33/56/65/978335665.db2.gz UVTOCFMTBFWVJD-CYBMUJFWSA-N 1 0 233.290 2.135 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C)cc2C#N)C1 ZINC001232964022 978364567 /nfs/dbraw/zinc/36/45/67/978364567.db2.gz ODRIBVQGJBUPNY-CYBMUJFWSA-N 1 0 244.338 2.335 20 30 BEEDRO C=CCC[NH2+]CCCCCCNC(=O)CC ZINC001177691405 978420625 /nfs/dbraw/zinc/42/06/25/978420625.db2.gz GXZHQUMYFIYKRU-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO CCCN(CCC[NH+](C)C)Cc1[nH]ccc1C#N ZINC001233046959 978432817 /nfs/dbraw/zinc/43/28/17/978432817.db2.gz ATSMBPNKZWJDSS-UHFFFAOYSA-N 1 0 248.374 2.050 20 30 BEEDRO Cc1c[nH]c(=O)c(C[N@@H+]2CCC[C@@H](CC#N)C2)c1 ZINC001233192959 978488834 /nfs/dbraw/zinc/48/88/34/978488834.db2.gz PZGJUWUYQLNAQE-LBPRGKRZSA-N 1 0 245.326 2.221 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC)[C@H]1C ZINC001177972942 978491376 /nfs/dbraw/zinc/49/13/76/978491376.db2.gz CFMUAXNHERYXLJ-AVGNSLFASA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CCC)[C@H]1C ZINC001178371253 978548464 /nfs/dbraw/zinc/54/84/64/978548464.db2.gz TXTFFJABLNJPEO-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO SC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC001233363550 978575000 /nfs/dbraw/zinc/57/50/00/978575000.db2.gz MKKAAAFGZBVNCD-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C#CCCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC000721995820 978597268 /nfs/dbraw/zinc/59/72/68/978597268.db2.gz HDNZUJWJWLWNHM-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc2c(c1)CCC2 ZINC001338094219 978612407 /nfs/dbraw/zinc/61/24/07/978612407.db2.gz OIDHFYJRJLFATP-HNNXBMFYSA-N 1 0 231.339 2.466 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC001338114403 978615878 /nfs/dbraw/zinc/61/58/78/978615878.db2.gz ZVGQEDUKURJLKM-FZMZJTMJSA-N 1 0 247.338 2.473 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc2c1CCOC2 ZINC001338187972 978630981 /nfs/dbraw/zinc/63/09/81/978630981.db2.gz PBHZVDHNGNTJAL-AWEZNQCLSA-N 1 0 247.338 2.050 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](CC)Cc1cccs1 ZINC001338287633 978653193 /nfs/dbraw/zinc/65/31/93/978653193.db2.gz GJDDRSXVQIEJQP-RYUDHWBXSA-N 1 0 237.368 2.043 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC001338312921 978658085 /nfs/dbraw/zinc/65/80/85/978658085.db2.gz SRZWTVLDWFWNBV-FUNVUKJBSA-N 1 0 209.333 2.045 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)Nc1cccnc1C#N ZINC001338445048 978682661 /nfs/dbraw/zinc/68/26/61/978682661.db2.gz RIRKTTUTEOJRGR-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@@H](F)CC ZINC001179264845 978683784 /nfs/dbraw/zinc/68/37/84/978683784.db2.gz CQSSLQIUNRPWJA-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC001338481084 978690659 /nfs/dbraw/zinc/69/06/59/978690659.db2.gz BUHKFDSQWCMOJV-PRHODGIISA-N 1 0 241.693 2.124 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2ccc(Cl)c(C#N)c2)C1 ZINC001233921995 978729968 /nfs/dbraw/zinc/72/99/68/978729968.db2.gz XKFIECCQOIXYNU-LLVKDONJSA-N 1 0 236.702 2.295 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(C)(C)[C@@H](C)O)cc1 ZINC001179728076 978746175 /nfs/dbraw/zinc/74/61/75/978746175.db2.gz AYFCXYPZGBHPKB-GFCCVEGCSA-N 1 0 231.339 2.165 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)C(C)C ZINC001234081467 978765905 /nfs/dbraw/zinc/76/59/05/978765905.db2.gz FEINYFAIHIBIMG-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(O)cc(C#N)c2)C1 ZINC001234144699 978784457 /nfs/dbraw/zinc/78/44/57/978784457.db2.gz SXOHQBFNBLILJC-CYBMUJFWSA-N 1 0 246.310 2.125 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)C(CC)CC ZINC001234180884 978788370 /nfs/dbraw/zinc/78/83/70/978788370.db2.gz LDMOAEJFFYEXOY-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001339421064 978849486 /nfs/dbraw/zinc/84/94/86/978849486.db2.gz RAYMJZAITYGJBQ-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO C#Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC001339537031 978864653 /nfs/dbraw/zinc/86/46/53/978864653.db2.gz VLXNFUFMLWZSGI-KBPBESRZSA-N 1 0 241.338 2.102 20 30 BEEDRO CC[C@@H](CNc1ccc(C#N)nc1)[NH+]1CCCC1 ZINC001339533616 978865469 /nfs/dbraw/zinc/86/54/69/978865469.db2.gz MMCGJOZHLZJPPI-AWEZNQCLSA-N 1 0 244.342 2.240 20 30 BEEDRO C#Cc1ccc(NCC[N@@H+](C)[C@@H](C)CC)nc1 ZINC001339560714 978871250 /nfs/dbraw/zinc/87/12/50/978871250.db2.gz CNOYSPXEGMSKFG-LBPRGKRZSA-N 1 0 231.343 2.205 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H]1CC[N@H+]1CCC ZINC001234625626 978876791 /nfs/dbraw/zinc/87/67/91/978876791.db2.gz NDCWDBFMAQHQLD-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(OC)cc1C ZINC001339872756 978933002 /nfs/dbraw/zinc/93/30/02/978933002.db2.gz YBGCCQPWJMXVSW-CYBMUJFWSA-N 1 0 235.327 2.294 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC001180772871 978946554 /nfs/dbraw/zinc/94/65/54/978946554.db2.gz QBZCXNYNKADGJV-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCCCCCN1CC[C@]2(CC[NH2+]2)C1 ZINC001235067551 978967361 /nfs/dbraw/zinc/96/73/61/978967361.db2.gz ZTBUCPYFEWLLTG-CYBMUJFWSA-N 1 0 210.365 2.395 20 30 BEEDRO C=CCCCCN1CCCCC12C[NH2+]C2 ZINC001235101654 978974546 /nfs/dbraw/zinc/97/45/46/978974546.db2.gz CEKCAEQZHAYOTA-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO C=CCCCN1CCCC[C@@]12CC[NH2+]C2 ZINC001235127592 978982289 /nfs/dbraw/zinc/98/22/89/978982289.db2.gz ZQZBVBWZXDLOKG-ZDUSSCGKSA-N 1 0 208.349 2.171 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001181028777 978992174 /nfs/dbraw/zinc/99/21/74/978992174.db2.gz BLLYSRNGFQMPRV-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)N2 ZINC001235298032 979020403 /nfs/dbraw/zinc/02/04/03/979020403.db2.gz HHLKCILARKCYBC-OKILXGFUSA-N 1 0 240.391 2.020 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC001340473585 979027045 /nfs/dbraw/zinc/02/70/45/979027045.db2.gz YSDVBABDEPOBHX-YNEHKIRRSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1C[C@@H](C)CC1(C)C ZINC001340506931 979031127 /nfs/dbraw/zinc/03/11/27/979031127.db2.gz FDBKRAWOPPQTPT-NWDGAFQWSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC001181279135 979032022 /nfs/dbraw/zinc/03/20/22/979032022.db2.gz GQLLPOODCPHHCH-GAJOTYCWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)C[C@@H](C)CCC ZINC001235365458 979033118 /nfs/dbraw/zinc/03/31/18/979033118.db2.gz RWSCGCLFISZJFT-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCCCCN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001235387369 979033664 /nfs/dbraw/zinc/03/36/64/979033664.db2.gz SCNLDEFEZIVICK-BETUJISGSA-N 1 0 208.349 2.169 20 30 BEEDRO N#CCc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC001235512542 979058072 /nfs/dbraw/zinc/05/80/72/979058072.db2.gz SDQPOEDQKVQJFW-UHFFFAOYSA-N 1 0 239.322 2.488 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccccc1CC#N ZINC001235512327 979058501 /nfs/dbraw/zinc/05/85/01/979058501.db2.gz PZZGHMARHZYOGB-UHFFFAOYSA-N 1 0 232.327 2.221 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccccc1CC#N ZINC001235511853 979059585 /nfs/dbraw/zinc/05/95/85/979059585.db2.gz MOVDKYNDUPYFFN-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO N#CCc1ccccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001235528671 979062899 /nfs/dbraw/zinc/06/28/99/979062899.db2.gz SAJIXSFRKSWBBA-OAHLLOKOSA-N 1 0 242.322 2.117 20 30 BEEDRO CCCC[N@@H+](CCC#N)CCCCCO ZINC001235663719 979114201 /nfs/dbraw/zinc/11/42/01/979114201.db2.gz JZVUNDRYOIFUBO-UHFFFAOYSA-N 1 0 212.337 2.165 20 30 BEEDRO N#Cc1cccc(C2CC[NH+](CCCO)CC2)c1 ZINC001235718962 979134059 /nfs/dbraw/zinc/13/40/59/979134059.db2.gz OTMFHMCBUPNTDV-UHFFFAOYSA-N 1 0 244.338 2.120 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC001340908134 979156175 /nfs/dbraw/zinc/15/61/75/979156175.db2.gz WSSVWUUICSYAAG-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccn1C(F)F ZINC001181577207 979163110 /nfs/dbraw/zinc/16/31/10/979163110.db2.gz QRNNGOGBOJEMJZ-SECBINFHSA-N 1 0 212.243 2.385 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC[NH2+]C)C(C)C ZINC001341011766 979197133 /nfs/dbraw/zinc/19/71/33/979197133.db2.gz NMBGHRHXEURQNV-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC001341250718 979298651 /nfs/dbraw/zinc/29/86/51/979298651.db2.gz OGEKUSNZKBFBSI-VXGBXAGGSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CC[NH2+]CCN1Cc2ccccc2C[C@H]1C ZINC001236071172 979357637 /nfs/dbraw/zinc/35/76/37/979357637.db2.gz DRRJRIJFZFRZGJ-CYBMUJFWSA-N 1 0 230.355 2.209 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341377150 979366553 /nfs/dbraw/zinc/36/65/53/979366553.db2.gz URZXPLNHMAHAJG-ZJUUUORDSA-N 1 0 249.276 2.440 20 30 BEEDRO C=CCCCC[N@@H+](C)CC[C@H]1COC(C)(C)N1 ZINC001236085050 979369786 /nfs/dbraw/zinc/36/97/86/979369786.db2.gz JJBGOBBRSYGWBL-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC001341400849 979376918 /nfs/dbraw/zinc/37/69/18/979376918.db2.gz KYPGVJQVESAGSW-CHWSQXEVSA-N 1 0 238.375 2.221 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001181978620 979386483 /nfs/dbraw/zinc/38/64/83/979386483.db2.gz GMVCJTFUCXGTBH-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001181977578 979388584 /nfs/dbraw/zinc/38/85/84/979388584.db2.gz MKZJRFLKZWWMBE-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CN(CC)C(=O)C1(C)CC[NH+](C)CC1 ZINC001181984745 979392047 /nfs/dbraw/zinc/39/20/47/979392047.db2.gz MSWDNCVYNCXJOO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)CC(C)(C)C ZINC001341479878 979426901 /nfs/dbraw/zinc/42/69/01/979426901.db2.gz DRXOVGPOXSLOID-NSHDSACASA-N 1 0 226.364 2.175 20 30 BEEDRO C[C@@H]([NH3+])CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001236183255 979439100 /nfs/dbraw/zinc/43/91/00/979439100.db2.gz UYXYWXOQEDBWNB-GFCCVEGCSA-N 1 0 243.354 2.085 20 30 BEEDRO CCc1cc(CN2CC([NH3+])(CC)C2)ccc1C#N ZINC001236190797 979442442 /nfs/dbraw/zinc/44/24/42/979442442.db2.gz YFDJWNGGAIMQCF-UHFFFAOYSA-N 1 0 243.354 2.044 20 30 BEEDRO C#Cc1cccc(CN(C)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001236216190 979452038 /nfs/dbraw/zinc/45/20/38/979452038.db2.gz IWOQYPJXYQQKNH-CVEARBPZSA-N 1 0 242.366 2.370 20 30 BEEDRO C#Cc1cccc(CN(C)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001236216191 979454106 /nfs/dbraw/zinc/45/41/06/979454106.db2.gz IWOQYPJXYQQKNH-HOTGVXAUSA-N 1 0 242.366 2.370 20 30 BEEDRO N#Cc1ccc(Cl)c(CN2CCC[C@@H]2C[NH3+])c1 ZINC001236246132 979467453 /nfs/dbraw/zinc/46/74/53/979467453.db2.gz UWQLTJZTKGOALV-GFCCVEGCSA-N 1 0 249.745 2.135 20 30 BEEDRO N#Cc1cc(CN2CCC[C@@H]2C[NH3+])ccc1Cl ZINC001236252355 979470769 /nfs/dbraw/zinc/47/07/69/979470769.db2.gz JGEVIPVGCRWOCU-GFCCVEGCSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CCCCCCCN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236279952 979481409 /nfs/dbraw/zinc/48/14/09/979481409.db2.gz ACHYFQOTCGWTID-STQMWFEESA-N 1 0 208.349 2.027 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001182406491 979528431 /nfs/dbraw/zinc/52/84/31/979528431.db2.gz NVDBAGJUNLNEEO-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C#Cc1cccc(CN(CCC)[C@@H]2CC[NH2+]C2)c1 ZINC001236322890 979537723 /nfs/dbraw/zinc/53/77/23/979537723.db2.gz APOHXRACAVADEG-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO N#Cc1cccnc1-c1cccc2c1CC[NH2+]C2 ZINC001236342942 979542390 /nfs/dbraw/zinc/54/23/90/979542390.db2.gz GFMQEZVCLQKRHO-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO N#CCc1ncccc1-c1cccc2c1CC[NH2+]C2 ZINC001236358078 979554646 /nfs/dbraw/zinc/55/46/46/979554646.db2.gz GAPKKFLRHCQBOW-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO C=CC(C)(C)CC(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC001341780600 979559057 /nfs/dbraw/zinc/55/90/57/979559057.db2.gz MIGLTCGGTLYVEZ-WOPDTQHZSA-N 1 0 238.375 2.186 20 30 BEEDRO COC(=O)CC(C)(C)[N@H+](C)CCC(C)(C)C#N ZINC001341819714 979568098 /nfs/dbraw/zinc/56/80/98/979568098.db2.gz HPYMJEUKPCGXNP-UHFFFAOYSA-N 1 0 240.347 2.200 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2nccnc2C#N)c1 ZINC001236415191 979586883 /nfs/dbraw/zinc/58/68/83/979586883.db2.gz QCGPXCSZUGDLPQ-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO CCN1CCC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC001182683779 979612442 /nfs/dbraw/zinc/61/24/42/979612442.db2.gz GDMMIURTOIFLLC-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO COc1ccc(C#N)cc1-c1ccnc(C[NH3+])c1 ZINC001236543591 979631530 /nfs/dbraw/zinc/63/15/30/979631530.db2.gz ATAPOTTZDHPXBN-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#C[C@H](CO)[NH2+]Cc1cccc(CC2CCC2)c1 ZINC001183103334 979732683 /nfs/dbraw/zinc/73/26/83/979732683.db2.gz JNWSBTNEWNDGFG-MRXNPFEDSA-N 1 0 243.350 2.113 20 30 BEEDRO C#C[C@@H](CO)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001183103409 979733174 /nfs/dbraw/zinc/73/31/74/979733174.db2.gz LJAIUVLFVHLKLT-INIZCTEOSA-N 1 0 243.350 2.428 20 30 BEEDRO C=CCc1cccc(CN(C)C[C@@H]([NH3+])CC)c1O ZINC001236867781 979771697 /nfs/dbraw/zinc/77/16/97/979771697.db2.gz AMRVAUUYDZDUTL-AWEZNQCLSA-N 1 0 248.370 2.290 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1CCC ZINC001342379739 979787657 /nfs/dbraw/zinc/78/76/57/979787657.db2.gz KXMYHLJMBKMHKP-WDEREUQCSA-N 1 0 244.766 2.247 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC[C@@]1(C)CC1(C)C ZINC001342458965 979805895 /nfs/dbraw/zinc/80/58/95/979805895.db2.gz UGWPCNNUJVSCFQ-SMDDNHRTSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC1([NH2+]C[C@@H]2C[C@H]2c2cnn(C)c2)CCCC1 ZINC001183497764 979837773 /nfs/dbraw/zinc/83/77/73/979837773.db2.gz BBLXFCYFMJCCAF-GXTWGEPZSA-N 1 0 243.354 2.059 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@H]1C[NH2+]CC=C ZINC001281852862 979881888 /nfs/dbraw/zinc/88/18/88/979881888.db2.gz GFXPUEBUOGJZAO-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@](C)([NH3+])CC2)cc1 ZINC001205281049 979882122 /nfs/dbraw/zinc/88/21/22/979882122.db2.gz OUQYGDPHOMUALE-INIZCTEOSA-N 1 0 242.366 2.371 20 30 BEEDRO CC1CC([N@H+](C)Cc2ccnc(C#N)c2)C1 ZINC001237459890 979902055 /nfs/dbraw/zinc/90/20/55/979902055.db2.gz XKHFWTRDPGXXDE-UHFFFAOYSA-N 1 0 215.300 2.184 20 30 BEEDRO Cn1cc(C[NH+]2CC=CC2)c2cc(C#N)ccc21 ZINC001237464707 979907586 /nfs/dbraw/zinc/90/75/86/979907586.db2.gz GAOHBKNNDPQZIT-UHFFFAOYSA-N 1 0 237.306 2.422 20 30 BEEDRO SC1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237538801 979931812 /nfs/dbraw/zinc/93/18/12/979931812.db2.gz CUZOVTNHSWTMPL-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C[C@H]1CCC[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237605383 979967410 /nfs/dbraw/zinc/96/74/10/979967410.db2.gz VPEKISHRSRUFNJ-NSHDSACASA-N 1 0 240.310 2.190 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC001343048810 979993184 /nfs/dbraw/zinc/99/31/84/979993184.db2.gz XLNUGLMTILXONL-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]([NH3+])CC(=C)Cl ZINC001343125437 980016794 /nfs/dbraw/zinc/01/67/94/980016794.db2.gz SITQBVQNGXTWMB-LLVKDONJSA-N 1 0 244.766 2.271 20 30 BEEDRO C=CCCCN(CC)C(=O)CC[C@@H]1CCC[NH2+]1 ZINC001343126591 980017095 /nfs/dbraw/zinc/01/70/95/980017095.db2.gz VXAJTUILFKZMIZ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)CCC ZINC001343213594 980039861 /nfs/dbraw/zinc/03/98/61/980039861.db2.gz JNUPOVGRAVZWEB-NSHDSACASA-N 1 0 226.364 2.365 20 30 BEEDRO C#CC[N@H+](Cc1ccc([S@@](C)=O)cc1)C(C)C ZINC001343289192 980059447 /nfs/dbraw/zinc/05/94/47/980059447.db2.gz YUZXKYGAGOLRNO-QGZVFWFLSA-N 1 0 249.379 2.268 20 30 BEEDRO Cc1nc(C[NH+]2CCC(S)CC2)ccc1F ZINC001237819909 980065094 /nfs/dbraw/zinc/06/50/94/980065094.db2.gz MLXIBSSDBHTASF-UHFFFAOYSA-N 1 0 240.347 2.423 20 30 BEEDRO CC[C@@H]([NH2+]CCNc1ncccc1C#N)C1CC1 ZINC001184438750 980069961 /nfs/dbraw/zinc/06/99/61/980069961.db2.gz KHUBYUOEXYPVQZ-CYBMUJFWSA-N 1 0 244.342 2.143 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@]2(CCN(CC=C)C2=O)C1 ZINC001273486286 980080556 /nfs/dbraw/zinc/08/05/56/980080556.db2.gz FURVGWKZDVEWIP-OAHLLOKOSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CC1CC[NH+](Cc2occc2OC)CC1 ZINC001237877160 980108713 /nfs/dbraw/zinc/10/87/13/980108713.db2.gz RZKGPDAHRVIFEL-UHFFFAOYSA-N 1 0 219.284 2.133 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(F)c(Cl)cc1[O-] ZINC001237949900 980117366 /nfs/dbraw/zinc/11/73/66/980117366.db2.gz OJLOTGBSCDQFJN-UHFFFAOYSA-N 1 0 227.666 2.250 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3cncn32)CC1 ZINC001238105923 980157855 /nfs/dbraw/zinc/15/78/55/980157855.db2.gz GDXWKXUTUDNNQG-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@@]1(C#N)CCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238112165 980160606 /nfs/dbraw/zinc/16/06/06/980160606.db2.gz BOUMQTBHGNVBDR-AWEZNQCLSA-N 1 0 240.310 2.070 20 30 BEEDRO N#C[C@H]1CCCCN1Cc1cccc2c[nH+]cn21 ZINC001238117642 980169725 /nfs/dbraw/zinc/16/97/25/980169725.db2.gz CYTRIABZXMOFPY-GFCCVEGCSA-N 1 0 240.310 2.212 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH2+]CC(=C)C)C1 ZINC001185296406 980211882 /nfs/dbraw/zinc/21/18/82/980211882.db2.gz NFEMABHGHCCTFO-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO CN(Cc1ccc(Cl)c(C#N)c1)C1COC1 ZINC001238194883 980225983 /nfs/dbraw/zinc/22/59/83/980225983.db2.gz UZDHPMPQGHCFEY-UHFFFAOYSA-N 1 0 236.702 2.042 20 30 BEEDRO C#CCC[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001343745685 980232319 /nfs/dbraw/zinc/23/23/19/980232319.db2.gz QOBPPWRHCIXQSK-STQMWFEESA-N 1 0 237.343 2.204 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC)[C@H]1CCC[NH2+]C1 ZINC001343862080 980256481 /nfs/dbraw/zinc/25/64/81/980256481.db2.gz IUZWQPDGDUVAMY-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1CCC1 ZINC001151506602 980275625 /nfs/dbraw/zinc/27/56/25/980275625.db2.gz ADSPQXBJZWNCRP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1csc(C)c1 ZINC001344070591 980334492 /nfs/dbraw/zinc/33/44/92/980334492.db2.gz UJFYYDQAERHHEP-NSHDSACASA-N 1 0 211.330 2.347 20 30 BEEDRO C#CCOCC[N@@H+](C)CCC1=CCCCC1 ZINC001344126081 980353430 /nfs/dbraw/zinc/35/34/30/980353430.db2.gz YCJJGNLORGRELL-UHFFFAOYSA-N 1 0 221.344 2.459 20 30 BEEDRO Cc1cnc(C2=CCC[NH2+]CC2)c(C#N)c1 ZINC001238934724 980370920 /nfs/dbraw/zinc/37/09/20/980370920.db2.gz DFDZBRVQIYJXLJ-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO Cc1ccc(CC#N)c(C2=CCC[NH2+]CC2)n1 ZINC001238939391 980376628 /nfs/dbraw/zinc/37/66/28/980376628.db2.gz FNYITKSZMJZSFG-UHFFFAOYSA-N 1 0 227.311 2.223 20 30 BEEDRO Cc1cnc(C2=CCC[NH2+]CC2)cc1C#N ZINC001238939323 980376833 /nfs/dbraw/zinc/37/68/33/980376833.db2.gz DOFFHRPPMMWVMF-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO Cc1cc(CC[NH+]2CCCCC2)cnc1C#N ZINC001250241914 980378215 /nfs/dbraw/zinc/37/82/15/980378215.db2.gz OQNMDRSDYKASDO-UHFFFAOYSA-N 1 0 229.327 2.290 20 30 BEEDRO N#Cc1cc(C#N)cc(C2=CCC[NH2+]CC2)c1 ZINC001238944148 980381336 /nfs/dbraw/zinc/38/13/36/980381336.db2.gz FOQRUJAZTAPTDR-UHFFFAOYSA-N 1 0 223.279 2.197 20 30 BEEDRO N#Cc1c[nH]c2ncc(C3=CCC[NH2+]CC3)cc12 ZINC001238946195 980383885 /nfs/dbraw/zinc/38/38/85/980383885.db2.gz GNJHNTZNIOYTQR-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO Cc1nccc(C2=CCC[NH2+]CC2)c1C#N ZINC001238950171 980389666 /nfs/dbraw/zinc/38/96/66/980389666.db2.gz LKXKJMFVQGBNRD-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO Cc1c[nH+]c(-c2cnc(C#N)c(F)c2)cc1N ZINC001238987750 980408597 /nfs/dbraw/zinc/40/85/97/980408597.db2.gz DLVJEVAQQLKCFR-UHFFFAOYSA-N 1 0 228.230 2.045 20 30 BEEDRO Cc1c(N)cc[nH+]c1-c1cnc(C#N)c(F)c1 ZINC001238987682 980408829 /nfs/dbraw/zinc/40/88/29/980408829.db2.gz HHIIFYMSCHMGKY-UHFFFAOYSA-N 1 0 228.230 2.045 20 30 BEEDRO C[NH2+]CCCC(=O)Nc1ccc(CCC#N)cc1 ZINC001344802630 980470125 /nfs/dbraw/zinc/47/01/25/980470125.db2.gz TWJNKFANLQGAJR-UHFFFAOYSA-N 1 0 245.326 2.081 20 30 BEEDRO C=CCC(CC=C)C(=O)N(CC[NH2+]C)C(C)C ZINC001344811624 980471504 /nfs/dbraw/zinc/47/15/04/980471504.db2.gz GRTBVCLETCOAGT-UHFFFAOYSA-N 1 0 238.375 2.211 20 30 BEEDRO CCCCCCCOC(=O)NC1(C)C[NH2+]C1 ZINC001239317487 980528095 /nfs/dbraw/zinc/52/80/95/980528095.db2.gz CXBOBZZBPQFGHO-UHFFFAOYSA-N 1 0 228.336 2.045 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CCC[N@H+](C)CC ZINC001273547541 980547086 /nfs/dbraw/zinc/54/70/86/980547086.db2.gz BYTNVUHHUCZGOH-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC001345603927 980642562 /nfs/dbraw/zinc/64/25/62/980642562.db2.gz WWVWFEJXHQSHLE-BETUJISGSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(CC)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC001345622766 980651045 /nfs/dbraw/zinc/65/10/45/980651045.db2.gz OAVNOQXSJSHURC-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)C1(CC)CCC1 ZINC001273562079 980651460 /nfs/dbraw/zinc/65/14/60/980651460.db2.gz JEYNJNMYEQGFGY-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC)C1 ZINC001188520603 980653211 /nfs/dbraw/zinc/65/32/11/980653211.db2.gz USSVSAGWZHNTOJ-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC)C1 ZINC001188520602 980654796 /nfs/dbraw/zinc/65/47/96/980654796.db2.gz USSVSAGWZHNTOJ-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C#C[C@H](C)N(C)Cc1c(O)cccc1Cl ZINC000775183412 980679311 /nfs/dbraw/zinc/67/93/11/980679311.db2.gz LKXXNOPILQLCRV-VIFPVBQESA-N 1 0 223.703 2.499 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(OCCO)cc1 ZINC000077012184 980814210 /nfs/dbraw/zinc/81/42/10/980814210.db2.gz AZOWHEOKGMNKQN-UHFFFAOYSA-N 1 0 247.338 2.232 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CCCC2)cc1OC ZINC000077252913 980846590 /nfs/dbraw/zinc/84/65/90/980846590.db2.gz QPQAHPFKQWUWNE-UHFFFAOYSA-N 1 0 245.322 2.303 20 30 BEEDRO N#Cc1c(F)ccc(-c2cncc(C[NH3+])c2)c1F ZINC001239806274 980943852 /nfs/dbraw/zinc/94/38/52/980943852.db2.gz ADDZWFSNMAQXJC-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO [NH3+]Cc1cncc(-c2ccccc2C=NO)c1 ZINC001239809086 980950083 /nfs/dbraw/zinc/95/00/83/980950083.db2.gz OPQKGDFNWLTTQA-UHFFFAOYSA-N 1 0 227.267 2.015 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C#N)ccn2)CC1 ZINC001191013864 980958827 /nfs/dbraw/zinc/95/88/27/980958827.db2.gz QCUNHDVKFOSRLF-UHFFFAOYSA-N 1 0 227.311 2.351 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC001347061067 980959893 /nfs/dbraw/zinc/95/98/93/980959893.db2.gz SGHMDXZVQSMSLV-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC001347114691 980976110 /nfs/dbraw/zinc/97/61/10/980976110.db2.gz WQRWIJATUJFYAM-GFCCVEGCSA-N 1 0 248.326 2.329 20 30 BEEDRO CCC#C[C@@H](C)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001191173923 980991661 /nfs/dbraw/zinc/99/16/61/980991661.db2.gz KQQHZZZLDFTCKQ-ZIAGYGMSSA-N 1 0 222.376 2.062 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CC(C)(C)OC1=O ZINC000830013564 980993349 /nfs/dbraw/zinc/99/33/49/980993349.db2.gz MFJJPKGWTYZBKD-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(CC)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC001347250819 981021958 /nfs/dbraw/zinc/02/19/58/981021958.db2.gz QCSSLQUANFBFDP-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#Cc1c(F)cc(-c2cc(C[NH3+])ccn2)cc1F ZINC001239913408 981032087 /nfs/dbraw/zinc/03/20/87/981032087.db2.gz NFUPVUVRYPHEMG-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO C#CCN1CC[NH+](Cc2ccc(C)cc2C)CC1 ZINC001203739813 981038325 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/nfs/dbraw/zinc/82/04/66/982820466.db2.gz BSVQMYZDFNCZNC-UHFFFAOYSA-N 1 0 228.295 2.286 20 30 BEEDRO C[N@@H+]1CCC=C(c2cccc(/C=N/O)c2)C1 ZINC001241570121 982820559 /nfs/dbraw/zinc/82/05/59/982820559.db2.gz FPODSXUYONPPCN-NTEUORMPSA-N 1 0 216.284 2.214 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C[C@@H](C)CC)C1 ZINC001100275089 982822255 /nfs/dbraw/zinc/82/22/55/982822255.db2.gz KFARDWKAYAVZHN-HIFPTAJRSA-N 1 0 238.375 2.093 20 30 BEEDRO C[N@@H+]1CCC=C(c2cc(/C=N/O)ccc2F)C1 ZINC001241570955 982823672 /nfs/dbraw/zinc/82/36/72/982823672.db2.gz RZJLYGDQNVZDNY-OVCLIPMQSA-N 1 0 234.274 2.353 20 30 BEEDRO C#CCCCCCC[N@@H+](C)Cc1ccn(C)n1 ZINC001198624188 982825222 /nfs/dbraw/zinc/82/52/22/982825222.db2.gz WSAJLQVZKIYAAO-UHFFFAOYSA-N 1 0 233.359 2.436 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](C2CCCC2)C1 ZINC001198708458 982829186 /nfs/dbraw/zinc/82/91/86/982829186.db2.gz YOEZJYXUSWIKLG-UONOGXRCSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CC[C@H](C2CC2)O1 ZINC001353354721 982844969 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/nfs/dbraw/zinc/04/57/37/983045737.db2.gz MFKIEBXXTBOCRQ-YPMHNXCESA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@H]1C=CCC1 ZINC001273833737 983091302 /nfs/dbraw/zinc/09/13/02/983091302.db2.gz RIYITLKXRSYRTP-GJBLVYBDSA-N 1 0 248.370 2.181 20 30 BEEDRO N#Cc1ccnc(-c2ccc(C[NH3+])cc2)c1F ZINC001241911485 983125357 /nfs/dbraw/zinc/12/53/57/983125357.db2.gz MTXLHEZKUNGSQT-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#Cc1cnc(-c2ccc(C[NH3+])cc2)c(F)c1 ZINC001241912883 983129454 /nfs/dbraw/zinc/12/94/54/983129454.db2.gz XVGQVISQZCOBJD-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#Cc1cnccc1-c1ccc(C[NH3+])cc1 ZINC001241913077 983129629 /nfs/dbraw/zinc/12/96/29/983129629.db2.gz KWHJMGVGRNAXQE-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO N#Cc1ncc(F)cc1-c1ccc(C[NH3+])cc1 ZINC001241913403 983130492 /nfs/dbraw/zinc/13/04/92/983130492.db2.gz WAAFAJSVPSGLQS-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO Cc1cc(C#N)cc(-c2ccc(C[NH3+])cc2)n1 ZINC001241913150 983130649 /nfs/dbraw/zinc/13/06/49/983130649.db2.gz QRNGHHNMWZDNKY-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=CCN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC001201415688 983214729 /nfs/dbraw/zinc/21/47/29/983214729.db2.gz FNUUNPBCNXEORC-AWEZNQCLSA-N 1 0 220.360 2.146 20 30 BEEDRO N#Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(F)c1 ZINC001242020916 983228712 /nfs/dbraw/zinc/22/87/12/983228712.db2.gz WBVLSDUCKCJYEF-MNOVXSKESA-N 1 0 229.258 2.000 20 30 BEEDRO COc1cccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1C#N ZINC001242027024 983237722 /nfs/dbraw/zinc/23/77/22/983237722.db2.gz XEKSTDROYHXKAD-NEPJUHHUSA-N 1 0 240.306 2.475 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C[C@@H](O)CCCC ZINC001252076598 983244751 /nfs/dbraw/zinc/24/47/51/983244751.db2.gz AHMIBBMPODRKPY-LBPRGKRZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C/C=C(\C)C=C)C1 ZINC001100581817 983317307 /nfs/dbraw/zinc/31/73/07/983317307.db2.gz OIUBTWNUIDIBFM-WUXMJOGZSA-N 1 0 248.370 2.179 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]CC1CCC(C#N)CC1 ZINC001354593750 983327190 /nfs/dbraw/zinc/32/71/90/983327190.db2.gz DTCXHUCTYVPMIC-RUXDESIVSA-N 1 0 238.375 2.313 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCCC[C@H]1C(=O)OC)C1CC1 ZINC001354611089 983332743 /nfs/dbraw/zinc/33/27/43/983332743.db2.gz DLLXBVWEEBSPNH-TZMCWYRMSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CC1(CCCC[N@H+]2C[C@@H](O)C3(CC3)C2)CCC1 ZINC001354636142 983337232 /nfs/dbraw/zinc/33/72/32/983337232.db2.gz CDTIHKNDDNXQOH-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@H](C)C(=O)c1ccc(O)cc1 ZINC001354714719 983348626 /nfs/dbraw/zinc/34/86/26/983348626.db2.gz UTPVVYQVGQYKCN-RYUDHWBXSA-N 1 0 245.322 2.165 20 30 BEEDRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001354842080 983375171 /nfs/dbraw/zinc/37/51/71/983375171.db2.gz RORZXXTZMMXXBH-WDEREUQCSA-N 1 0 245.326 2.065 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001355197518 983447794 /nfs/dbraw/zinc/44/77/94/983447794.db2.gz YUKGDQCKBMRCEF-INIZCTEOSA-N 1 0 241.334 2.315 20 30 BEEDRO CCCC[C@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001252089934 983481633 /nfs/dbraw/zinc/48/16/33/983481633.db2.gz UUMMKRMQEZEMHB-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H]2CNC(=O)[C@H]2C1 ZINC001201787875 983486755 /nfs/dbraw/zinc/48/67/55/983486755.db2.gz OVVKFNCZNYJQCM-STQMWFEESA-N 1 0 238.375 2.025 20 30 BEEDRO C#Cc1ccc(-c2ccnc(C[NH3+])c2)cc1 ZINC001242295259 983523596 /nfs/dbraw/zinc/52/35/96/983523596.db2.gz UUJSJJAQBANAQR-UHFFFAOYSA-N 1 0 208.264 2.189 20 30 BEEDRO C=CCN1CC[C@@]2(CCC[N@H+]2[C@@H](C)CC)C1=O ZINC001273926092 983559528 /nfs/dbraw/zinc/55/95/28/983559528.db2.gz VXTRKRDTMHOGRM-JSGCOSHPSA-N 1 0 236.359 2.038 20 30 BEEDRO COC(=O)CCC[N@H+](CCC#N)C1CCCC1 ZINC001202228484 983590355 /nfs/dbraw/zinc/59/03/55/983590355.db2.gz VIZYXPIEKFWHMI-UHFFFAOYSA-N 1 0 238.331 2.098 20 30 BEEDRO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(F)c(C#N)c1 ZINC001356606479 983639611 /nfs/dbraw/zinc/63/96/11/983639611.db2.gz FTIZEONORJVNKV-VIFPVBQESA-N 1 0 249.289 2.024 20 30 BEEDRO CCCC[C@H](O)C[NH2+]CC1(C#N)CCCC1 ZINC001252106761 983644758 /nfs/dbraw/zinc/64/47/58/983644758.db2.gz QCDVFHQKYVUZJK-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO CC[C@@H](COCC1CC1)[NH2+]C[C@H](C#N)CCC#N ZINC001356619010 983645040 /nfs/dbraw/zinc/64/50/40/983645040.db2.gz NZBZBNHIYHZPAJ-KBPBESRZSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CC[NH+]1CCN(CCCC(F)(F)F)CC1 ZINC001202415345 983652004 /nfs/dbraw/zinc/65/20/04/983652004.db2.gz JHGDQDUVFGDBBA-UHFFFAOYSA-N 1 0 236.281 2.133 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)C ZINC001488685696 983693130 /nfs/dbraw/zinc/69/31/30/983693130.db2.gz MCJMLHOPXGVCBH-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1cc(C#N)ccc1-c1cc(C[NH3+])ccn1 ZINC001242470449 983794353 /nfs/dbraw/zinc/79/43/53/983794353.db2.gz OGMNSIUUXZKVHB-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1cc(C#N)ccc1-c1ccc(C[NH3+])nc1 ZINC001242473708 983801601 /nfs/dbraw/zinc/80/16/01/983801601.db2.gz FZAMRMICOOHFIB-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@@](C)(O)CNc1cccnc1N1CCCC1 ZINC001252542819 983808932 /nfs/dbraw/zinc/80/89/32/983808932.db2.gz JEJIYBVTZWTTHS-CQSZACIVSA-N 1 0 247.342 2.031 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@]12C[C@@H]1CCCC2 ZINC001357979953 983810884 /nfs/dbraw/zinc/81/08/84/983810884.db2.gz RRBDSFNORSJCQA-OBJOEFQTSA-N 1 0 236.359 2.119 20 30 BEEDRO C=C[C@](C)(O)CNc1c(C)[nH+]c2ccc(F)cn21 ZINC001252546741 983812263 /nfs/dbraw/zinc/81/22/63/983812263.db2.gz BYXKWTKEOHKAAR-ZDUSSCGKSA-N 1 0 249.289 2.131 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC001252568861 983823911 /nfs/dbraw/zinc/82/39/11/983823911.db2.gz ODLYPESASBQXOP-HZMBPMFUSA-N 1 0 245.326 2.151 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc2ccccc2[nH]1 ZINC001252570781 983825478 /nfs/dbraw/zinc/82/54/78/983825478.db2.gz BGHCIMANSIXYDT-AWEZNQCLSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(F)ccc1C ZINC001252572284 983827962 /nfs/dbraw/zinc/82/79/62/983827962.db2.gz PCWHEOPEXCIFLH-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2occc2c1 ZINC001252574423 983828998 /nfs/dbraw/zinc/82/89/98/983828998.db2.gz OESXNFFHPATTHL-AWEZNQCLSA-N 1 0 231.295 2.459 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)COc1ccccc1C ZINC001252575779 983829698 /nfs/dbraw/zinc/82/96/98/983829698.db2.gz FUHUAMCDCFINBO-UKRRQHHQSA-N 1 0 249.354 2.289 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001252574852 983829984 /nfs/dbraw/zinc/82/99/84/983829984.db2.gz RYRIZHWIJPOXQI-AWEZNQCLSA-N 1 0 246.310 2.163 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC001252576919 983831756 /nfs/dbraw/zinc/83/17/56/983831756.db2.gz QIKMBFKEUDVOQK-NXEZZACHSA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)c1ccc(OC)cc1 ZINC001252576110 983831290 /nfs/dbraw/zinc/83/12/90/983831290.db2.gz IOGQHXBOIWTLCX-OAHLLOKOSA-N 1 0 249.354 2.457 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ncccc1C)C1CC1 ZINC001252577082 983832250 /nfs/dbraw/zinc/83/22/50/983832250.db2.gz SZMFKYPDCMDAAH-CABCVRRESA-N 1 0 246.354 2.368 20 30 BEEDRO C=CCCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001358173338 983834642 /nfs/dbraw/zinc/83/46/42/983834642.db2.gz QSSZPKJFXGWFAK-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1CCC(F)CC1 ZINC001252589147 983839998 /nfs/dbraw/zinc/83/99/98/983839998.db2.gz KDJLTQFECNZOFV-HTAVTVPLSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCc1ncccc1C ZINC001252589685 983840725 /nfs/dbraw/zinc/84/07/25/983840725.db2.gz PLPWKHDMVUPQLT-AWEZNQCLSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@H](F)C1 ZINC001252593975 983843180 /nfs/dbraw/zinc/84/31/80/983843180.db2.gz PZGVYZZIWVGQMD-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccnc1Cl ZINC001252616569 983850899 /nfs/dbraw/zinc/85/08/99/983850899.db2.gz QYJDRKXCFYCPNK-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001252624269 983856692 /nfs/dbraw/zinc/85/66/92/983856692.db2.gz CAAXMCPDAGPEOA-NSHDSACASA-N 1 0 236.340 2.036 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CCC[NH2+]CC1 ZINC001358506748 983881033 /nfs/dbraw/zinc/88/10/33/983881033.db2.gz WWAKPLCWVYZQNK-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@@H]([NH2+]CC1(O)CCOCC1)c1ccccc1 ZINC001252979306 983941238 /nfs/dbraw/zinc/94/12/38/983941238.db2.gz AKHNEKRAJZMEMQ-CQSZACIVSA-N 1 0 247.338 2.045 20 30 BEEDRO C#CCCCCCC[NH2+]C1(CC(=O)OC)CC1 ZINC000877610923 983955295 /nfs/dbraw/zinc/95/52/95/983955295.db2.gz MBOQIOCYJCWVHP-UHFFFAOYSA-N 1 0 237.343 2.255 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)/C=C(/C)C1CC1 ZINC001480752377 984007585 /nfs/dbraw/zinc/00/75/85/984007585.db2.gz RKHMKEVLWYTUHC-NLYDNYMLSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1C[C@@H]1C ZINC001570812292 984026718 /nfs/dbraw/zinc/02/67/18/984026718.db2.gz PDHPSAQBDVUOIR-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCCCC(=O)NC[C@H](C)[N@@H+](C)CCCC ZINC001570709624 984028676 /nfs/dbraw/zinc/02/86/76/984028676.db2.gz SIQXVTQCUUEXBD-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CCCC1 ZINC001570585283 984029510 /nfs/dbraw/zinc/02/95/10/984029510.db2.gz URGKKJOCRPBLDJ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH+]1CC(CNC(=O)C/C=C(/C)C=C)C1 ZINC001318144266 984043615 /nfs/dbraw/zinc/04/36/15/984043615.db2.gz BKJQXTBMWOBQMX-QPEQYQDCSA-N 1 0 248.370 2.133 20 30 BEEDRO N#Cc1ccccc1-c1cc(C[NH3+])ccn1 ZINC001242711949 984061580 /nfs/dbraw/zinc/06/15/80/984061580.db2.gz DNEBZDIUGWQPNJ-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO CCC[N@H+](CCC#N)CC1CCOCC1 ZINC001202591957 984100668 /nfs/dbraw/zinc/10/06/68/984100668.db2.gz ZCRMBQTZQKQWTL-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC001574849802 984117107 /nfs/dbraw/zinc/11/71/07/984117107.db2.gz REGYYIFAPZLBBU-CHWSQXEVSA-N 1 0 238.375 2.367 20 30 BEEDRO CC(C)CCCO[C@H](CC#N)C[N+](C)(C)C ZINC001205970077 984126003 /nfs/dbraw/zinc/12/60/03/984126003.db2.gz JJXSZYGXCXUIDP-CYBMUJFWSA-N 1 0 227.372 2.428 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001545727735 984132481 /nfs/dbraw/zinc/13/24/81/984132481.db2.gz XUXBTSQMLWBRMG-GFCCVEGCSA-N 1 0 246.354 2.095 20 30 BEEDRO O=C1C=C2C[N@@H+](CC3CCC3)CCC2S1 ZINC001202706094 984160017 /nfs/dbraw/zinc/16/00/17/984160017.db2.gz OSSCPMADVDNBPH-NSHDSACASA-N 1 0 223.341 2.061 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000717521700 984211152 /nfs/dbraw/zinc/21/11/52/984211152.db2.gz OGNLWJBQXYGUMC-AGIUHOORSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC001253565116 984222156 /nfs/dbraw/zinc/22/21/56/984222156.db2.gz LGYMHSJZZZTFIA-KBPBESRZSA-N 1 0 217.312 2.274 20 30 BEEDRO C=C(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2C1CC1 ZINC001274018348 984234939 /nfs/dbraw/zinc/23/49/39/984234939.db2.gz WFEOLFSJJMNHGD-OAHLLOKOSA-N 1 0 248.370 2.182 20 30 BEEDRO C=CCN1CC[C@]2(CC[N@@H+](C3CCCC3)C2)C1=O ZINC001274022488 984236054 /nfs/dbraw/zinc/23/60/54/984236054.db2.gz HRWPCUKMLJGQIO-OAHLLOKOSA-N 1 0 248.370 2.039 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CCC(C)C ZINC000717793451 984293997 /nfs/dbraw/zinc/29/39/97/984293997.db2.gz HFFACPABSJTKPF-STQMWFEESA-N 1 0 211.349 2.175 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccsc1 ZINC000389297253 984328054 /nfs/dbraw/zinc/32/80/54/984328054.db2.gz KQSZIBKGZYGRII-JTQLQIEISA-N 1 0 209.314 2.049 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001299353659 984362986 /nfs/dbraw/zinc/36/29/86/984362986.db2.gz LHUMFCHEHOEWLZ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)=C1CCC1 ZINC001274747846 984374976 /nfs/dbraw/zinc/37/49/76/984374976.db2.gz WCZIBOCYXVQBHH-LLVKDONJSA-N 1 0 236.359 2.157 20 30 BEEDRO C#C[C@H](CO)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000718152306 984394302 /nfs/dbraw/zinc/39/43/02/984394302.db2.gz YGWAWRIBVNTRKT-JXQTWKCFSA-N 1 0 237.387 2.423 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH2+]CCC ZINC001274878164 984396521 /nfs/dbraw/zinc/39/65/21/984396521.db2.gz SIBMJTJBXKQVND-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC ZINC001275057786 984463383 /nfs/dbraw/zinc/46/33/83/984463383.db2.gz TZCARKPHDPLIBA-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H](C)C1 ZINC001442251755 984490986 /nfs/dbraw/zinc/49/09/86/984490986.db2.gz AIMSIYRYTIATDS-YPMHNXCESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)/C(C)=C/C ZINC001275113374 984493505 /nfs/dbraw/zinc/49/35/05/984493505.db2.gz UFVANWJFOJJXPD-XBJLJFKASA-N 1 0 238.375 2.402 20 30 BEEDRO N#Cc1cc(F)cc(Nc2cc[nH+]c(N)c2)c1 ZINC000718541917 984511616 /nfs/dbraw/zinc/51/16/16/984511616.db2.gz HIRHCFWWRRBXOA-UHFFFAOYSA-N 1 0 228.230 2.418 20 30 BEEDRO C=CCc1cc(C)cnc1C1=CC[NH2+]C1 ZINC001243110369 984567344 /nfs/dbraw/zinc/56/73/44/984567344.db2.gz KPLDVIRFZULWFY-UHFFFAOYSA-N 1 0 200.285 2.105 20 30 BEEDRO N#CC1(c2ccc(C3=CC[NH2+]C3)cc2)CC1 ZINC001243110665 984573527 /nfs/dbraw/zinc/57/35/27/984573527.db2.gz KGIVXNWAUKJPAA-UHFFFAOYSA-N 1 0 210.280 2.228 20 30 BEEDRO C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCCCC ZINC001275504472 984585922 /nfs/dbraw/zinc/58/59/22/984585922.db2.gz BDZYBVHEQDOHMF-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)C(F)F ZINC001275825308 984680973 /nfs/dbraw/zinc/68/09/73/984680973.db2.gz RYFNSYZUWDERGY-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](CC)[C@H]1C ZINC001448029751 984805609 /nfs/dbraw/zinc/80/56/09/984805609.db2.gz WWLRFUGDRYDBJY-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001095451307 984812495 /nfs/dbraw/zinc/81/24/95/984812495.db2.gz WVGPRXDCGFHDNI-AGIUHOORSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCC1(C(=O)N(C)CCC[NH2+]CC)CCC1 ZINC001276214107 984829566 /nfs/dbraw/zinc/82/95/66/984829566.db2.gz DVXWEIZXNHBEMG-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCN(C3CCC3)C2)CC1 ZINC001256960037 984845205 /nfs/dbraw/zinc/84/52/05/984845205.db2.gz FPNYJGAQSOIFNR-RUXDESIVSA-N 1 0 247.386 2.285 20 30 BEEDRO C=CCOC(=O)N1CC[NH+]([C@H](C)CCC)CC1 ZINC001257328962 984898857 /nfs/dbraw/zinc/89/88/57/984898857.db2.gz VSAWOTPOONEOHU-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001257430041 984998221 /nfs/dbraw/zinc/99/82/21/984998221.db2.gz DYSLTTRPWNMGCI-SSDOTTSWSA-N 1 0 211.696 2.239 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)[C@@H](C)O1 ZINC000686513754 985127580 /nfs/dbraw/zinc/12/75/80/985127580.db2.gz PQHGZSMCTAWXRX-IIAWOOMASA-N 1 0 243.350 2.441 20 30 BEEDRO N#CCOc1ccccc1-c1cc(C[NH3+])ccn1 ZINC001243580288 985141525 /nfs/dbraw/zinc/14/15/25/985141525.db2.gz MXXBWLMQOZQRFC-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC1OCCO1 ZINC000686609472 985150298 /nfs/dbraw/zinc/15/02/98/985150298.db2.gz NGBBEXZRSXVIAT-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCCCCC[N@@H+](C)CC1(C)COC1 ZINC000686674025 985197624 /nfs/dbraw/zinc/19/76/24/985197624.db2.gz UDLPQYXRIKBTDK-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H](O)CC1 ZINC000686675184 985197195 /nfs/dbraw/zinc/19/71/95/985197195.db2.gz HVIUKHJVPSTXPS-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)Cn1cccn1 ZINC000686675546 985197974 /nfs/dbraw/zinc/19/79/74/985197974.db2.gz YFQHOLWSDMCRTQ-CYBMUJFWSA-N 1 0 219.332 2.055 20 30 BEEDRO C#CCCCCC[NH2+][C@]1(CC)CCOC1 ZINC000686675628 985199212 /nfs/dbraw/zinc/19/92/12/985199212.db2.gz BQKPVRFITNJBMP-CYBMUJFWSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000686673975 985199413 /nfs/dbraw/zinc/19/94/13/985199413.db2.gz QXWWYJSHDGTFHR-LBPRGKRZSA-N 1 0 219.332 2.264 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000686681961 985203007 /nfs/dbraw/zinc/20/30/07/985203007.db2.gz HFTFUHJYPYOGLF-KBPBESRZSA-N 1 0 223.360 2.130 20 30 BEEDRO C#CCCCCC[N@@H+](CCO)[C@@H](C)CC ZINC000686682208 985203349 /nfs/dbraw/zinc/20/33/49/985203349.db2.gz JOTUOTPYXOWUJD-ZDUSSCGKSA-N 1 0 211.349 2.273 20 30 BEEDRO C[NH2+][C@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC001578607356 985226058 /nfs/dbraw/zinc/22/60/58/985226058.db2.gz ZRMGIQVPRFDRMX-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC001257663899 985245059 /nfs/dbraw/zinc/24/50/59/985245059.db2.gz HCPVRHMFYLVBGR-STQMWFEESA-N 1 0 240.416 2.122 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1(C(C)C)CC1 ZINC000687539079 985306587 /nfs/dbraw/zinc/30/65/87/985306587.db2.gz FJWXKUXOJCULMU-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)[C@@H](C)C(C)C ZINC000687803910 985389000 /nfs/dbraw/zinc/38/90/00/985389000.db2.gz HUFXZERSRQFQLG-NEPJUHHUSA-N 1 0 212.337 2.281 20 30 BEEDRO Cc1cnc(/C=C/C2CC[NH2+]CC2)c(C#N)c1 ZINC001243892502 985561257 /nfs/dbraw/zinc/56/12/57/985561257.db2.gz IOTVDRKPPAFERY-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO Cc1cnc(/C=C/C2CC[NH2+]CC2)c(/C=N/O)c1 ZINC001243892715 985561736 /nfs/dbraw/zinc/56/17/36/985561736.db2.gz NTFWTODSJDCNDO-DCRIRWBVSA-N 1 0 245.326 2.211 20 30 BEEDRO CSCC[C@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001258202007 985610127 /nfs/dbraw/zinc/61/01/27/985610127.db2.gz GTCRHHQQNCAZTP-JTQLQIEISA-N 1 0 247.367 2.405 20 30 BEEDRO COC(=O)c1cc(C#N)ccc1C1=C[NH2+]CCC1 ZINC001243949665 985642239 /nfs/dbraw/zinc/64/22/39/985642239.db2.gz OZPOKNDNGJRYJP-UHFFFAOYSA-N 1 0 242.278 2.069 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CO1 ZINC000688459197 985645690 /nfs/dbraw/zinc/64/56/90/985645690.db2.gz WXPGVXMNBQKFOX-OLZOCXBDSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CO[C@H](CC)C1 ZINC000688500487 985657731 /nfs/dbraw/zinc/65/77/31/985657731.db2.gz LFDDTLGNEOSJHJ-RKDXNWHRSA-N 1 0 234.137 2.052 20 30 BEEDRO CCn1cc(C[NH2+]CC#Cc2ccccc2)cn1 ZINC000688522190 985668889 /nfs/dbraw/zinc/66/88/89/985668889.db2.gz CRTLUFDEGKPHLU-UHFFFAOYSA-N 1 0 239.322 2.044 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCOC1CCC1 ZINC000689062305 985792734 /nfs/dbraw/zinc/79/27/34/985792734.db2.gz UOCWYXJKWBENQI-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO COc1ccc(NC2CCC([NH3+])CC2)cc1C#N ZINC001579230496 985823136 /nfs/dbraw/zinc/82/31/36/985823136.db2.gz NXVQPXKFOFRPKJ-UHFFFAOYSA-N 1 0 245.326 2.249 20 30 BEEDRO N#Cc1cc(-c2cccn3c[nH+]cc23)ccc1N ZINC001244117226 985824825 /nfs/dbraw/zinc/82/48/25/985824825.db2.gz HAHQLBZDJDIASI-UHFFFAOYSA-N 1 0 234.262 2.455 20 30 BEEDRO CCCCCCCC[N@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC001460570328 985863623 /nfs/dbraw/zinc/86/36/23/985863623.db2.gz XUJDNTYXTLCYQR-STQMWFEESA-N 1 0 239.359 2.452 20 30 BEEDRO CC#CC[N@@H+]1CCSC[C@@H]1C(C)(C)C ZINC001460687297 985875044 /nfs/dbraw/zinc/87/50/44/985875044.db2.gz DQWXDJAKXCMLGH-LLVKDONJSA-N 1 0 211.374 2.473 20 30 BEEDRO C=C(CC)C[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001460778320 985896014 /nfs/dbraw/zinc/89/60/14/985896014.db2.gz FYMRLBQZENMXCU-LLVKDONJSA-N 1 0 219.332 2.370 20 30 BEEDRO N#Cc1cnccc1-c1ccc2c(c1)C[NH2+]CC2 ZINC001244334062 985972730 /nfs/dbraw/zinc/97/27/30/985972730.db2.gz IOJQAFGBNNQMTI-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C(=O)OC)ccn1 ZINC001258718123 986045993 /nfs/dbraw/zinc/04/59/93/986045993.db2.gz HLCGKQUKQYDLMU-NSHDSACASA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@H](C)Nc1cccnc1C[NH3+] ZINC001258721535 986054325 /nfs/dbraw/zinc/05/43/25/986054325.db2.gz YWWAYDKBQCXRID-JTQLQIEISA-N 1 0 205.305 2.307 20 30 BEEDRO C=CCC[C@@H](C)Nc1cccnc1C[NH3+] ZINC001258721544 986055599 /nfs/dbraw/zinc/05/55/99/986055599.db2.gz YWWAYDKBQCXRID-SNVBAGLBSA-N 1 0 205.305 2.307 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001258724855 986064211 /nfs/dbraw/zinc/06/42/11/986064211.db2.gz FJQLDMMRUKFLHH-JHJVBQTASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)c1cccnc1 ZINC001258725335 986065794 /nfs/dbraw/zinc/06/57/94/986065794.db2.gz IZGLNJBGENPQGP-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001258724826 986066549 /nfs/dbraw/zinc/06/65/49/986066549.db2.gz FESDSVHJUZDGQQ-XQQFMLRXSA-N 1 0 209.333 2.309 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC001253570774 986078633 /nfs/dbraw/zinc/07/86/33/986078633.db2.gz BFRPMHPBMZSVNQ-ZIAGYGMSSA-N 1 0 217.312 2.023 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CNCC[NH2+]C1CC1 ZINC001579554371 986083427 /nfs/dbraw/zinc/08/34/27/986083427.db2.gz WIQOHMYRHOGNMV-UHFFFAOYSA-N 1 0 243.354 2.017 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH]nc3c2)C1 ZINC001461590972 986090520 /nfs/dbraw/zinc/09/05/20/986090520.db2.gz GVCKIUJAVOIUFH-GXFFZTMASA-N 1 0 240.310 2.345 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCC(N2CC(F)C2)CC1 ZINC001258735239 986103565 /nfs/dbraw/zinc/10/35/65/986103565.db2.gz RLYBMNWNFFZIMP-LBPRGKRZSA-N 1 0 240.366 2.459 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1ccc(CC)cc1 ZINC001253584290 986151799 /nfs/dbraw/zinc/15/17/99/986151799.db2.gz LLNYXHUUOAWVKE-AWEZNQCLSA-N 1 0 219.328 2.228 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001253586490 986163417 /nfs/dbraw/zinc/16/34/17/986163417.db2.gz NQDJKGVPCPGLQF-UPJWGTAASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001253598479 986229342 /nfs/dbraw/zinc/22/93/42/986229342.db2.gz USNZVDKIFAAQQG-CQSZACIVSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)COc1c(C)cccc1C ZINC001253602819 986252483 /nfs/dbraw/zinc/25/24/83/986252483.db2.gz MBSSZYLGVWFGNB-ZIAGYGMSSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC001253603296 986257729 /nfs/dbraw/zinc/25/77/29/986257729.db2.gz URYCMWNVNIZEIZ-SRVKXCTJSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC001253603381 986258379 /nfs/dbraw/zinc/25/83/79/986258379.db2.gz WQLZWEVKELYVAM-TZMCWYRMSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2Cl ZINC001253605283 986259498 /nfs/dbraw/zinc/25/94/98/986259498.db2.gz QOHQKDXNNZIORZ-RNCFNFMXSA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1coc2ccccc12 ZINC001253604418 986261178 /nfs/dbraw/zinc/26/11/78/986261178.db2.gz IYPDAVFYVDPDLE-LBPRGKRZSA-N 1 0 231.295 2.112 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1cccc(F)c1 ZINC001253605286 986262875 /nfs/dbraw/zinc/26/28/75/986262875.db2.gz QOVFZCBGTRBIBR-CHWSQXEVSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1coc2ccccc12 ZINC001253604413 986263214 /nfs/dbraw/zinc/26/32/14/986263214.db2.gz IYPDAVFYVDPDLE-GFCCVEGCSA-N 1 0 231.295 2.112 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1OC ZINC001253605619 986267516 /nfs/dbraw/zinc/26/75/16/986267516.db2.gz UZPNBPNGORVIEY-VHSXEESVSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)CNC(=[NH2+])c1cccc2ccccc21 ZINC001253607680 986268701 /nfs/dbraw/zinc/26/87/01/986268701.db2.gz CRNDGQFMPBGVPT-GFCCVEGCSA-N 1 0 240.306 2.302 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CCC)c1ccncc1 ZINC001253609326 986276930 /nfs/dbraw/zinc/27/69/30/986276930.db2.gz QXUAUEHNOAAIRP-CHWSQXEVSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001253609468 986276997 /nfs/dbraw/zinc/27/69/97/986276997.db2.gz SSMNUWYZKFQYIB-JTQLQIEISA-N 1 0 239.265 2.090 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1csc(Cl)c1 ZINC001253609585 986280136 /nfs/dbraw/zinc/28/01/36/986280136.db2.gz VXJXIWBPSBZZSC-QMMMGPOBSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC001253611655 986287687 /nfs/dbraw/zinc/28/76/87/986287687.db2.gz SFFDTWHAGCWOQE-JQWIXIFHSA-N 1 0 223.291 2.332 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)Cc2ccno2)cc1 ZINC001462255340 986324386 /nfs/dbraw/zinc/32/43/86/986324386.db2.gz NCHLBOGFQLFPMA-GFCCVEGCSA-N 1 0 240.306 2.377 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCCN(CC)C2)c1 ZINC001462347154 986358444 /nfs/dbraw/zinc/35/84/44/986358444.db2.gz HPPQVLWVXKCHKS-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCCN(CC)C2)c1 ZINC001462347159 986359045 /nfs/dbraw/zinc/35/90/45/986359045.db2.gz HPPQVLWVXKCHKS-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001462550347 986425856 /nfs/dbraw/zinc/42/58/56/986425856.db2.gz YARRAFVDCVMFJD-ZBFHGGJFSA-N 1 0 245.366 2.290 20 30 BEEDRO N#C[C@H](c1ccccc1)N1C2CCC1(C[NH3+])CC2 ZINC001580036433 986441768 /nfs/dbraw/zinc/44/17/68/986441768.db2.gz VDNYRPPLKNJGRX-SHARSMKWSA-N 1 0 241.338 2.207 20 30 BEEDRO C[C@@H](CCC1CC1)[NH2+]CC1(C#N)CCOCC1 ZINC001462657261 986488208 /nfs/dbraw/zinc/48/82/08/986488208.db2.gz YLYSWJCBAXPUFM-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000689434796 986606597 /nfs/dbraw/zinc/60/65/97/986606597.db2.gz MKRFNAUAWXCAHR-MNOVXSKESA-N 1 0 229.414 2.227 20 30 BEEDRO CCC(CC)[N@H+](CCOC)CCO[C@H](C)C#N ZINC000379740688 986678100 /nfs/dbraw/zinc/67/81/00/986678100.db2.gz KSKCFJIHTQETJU-GFCCVEGCSA-N 1 0 242.363 2.052 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001254637317 986684540 /nfs/dbraw/zinc/68/45/40/986684540.db2.gz QKUMHOIMGHTZEU-JSGCOSHPSA-N 1 0 229.327 2.292 20 30 BEEDRO N#C[C@H]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001254641642 986693206 /nfs/dbraw/zinc/69/32/06/986693206.db2.gz CMZWMTORCKDUIW-CMPLNLGQSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001254645483 986697760 /nfs/dbraw/zinc/69/77/60/986697760.db2.gz CXRBTPQFUHGSOG-ONGXEEELSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001254655467 986706514 /nfs/dbraw/zinc/70/65/14/986706514.db2.gz DKUNDVKQFCHEJX-UJPOAAIJSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@]1(CF)CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC001254660311 986708764 /nfs/dbraw/zinc/70/87/64/986708764.db2.gz HIVZQDRPODOSNL-QJPTWQEYSA-N 1 0 210.296 2.360 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@@]1(C)O ZINC001254661736 986716654 /nfs/dbraw/zinc/71/66/54/986716654.db2.gz XKIIWXRVIJCRDO-AAVRWANBSA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CC(c3cccnc3)C2)C1 ZINC001254671033 986719759 /nfs/dbraw/zinc/71/97/59/986719759.db2.gz NVXZZBDBGPMMGZ-SMDDNHRTSA-N 1 0 227.311 2.173 20 30 BEEDRO CCN1CCC([N@H+](C)[C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669353 986722069 /nfs/dbraw/zinc/72/20/69/986722069.db2.gz RINXBGDARFUTBA-TZMCWYRMSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254846743 986730597 /nfs/dbraw/zinc/73/05/97/986730597.db2.gz VOYAUIWEFNWPMU-CQSZACIVSA-N 1 0 234.387 2.110 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(c2ccccc2)COC1 ZINC001255153432 986825894 /nfs/dbraw/zinc/82/58/94/986825894.db2.gz WJRUAUDXKJOARD-CQSZACIVSA-N 1 0 244.338 2.236 20 30 BEEDRO CCOC(=O)C1(C[NH2+][C@H](CC)CC#N)CCC1 ZINC001255154297 986827127 /nfs/dbraw/zinc/82/71/27/986827127.db2.gz GOFOKVSQXRAUGD-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC001255156465 986830287 /nfs/dbraw/zinc/83/02/87/986830287.db2.gz JWJRXYXZZZZIJQ-JSGCOSHPSA-N 1 0 248.326 2.010 20 30 BEEDRO CC[C@@H](CC#N)n1cnc2cccc(C[NH3+])c21 ZINC001255158104 986832457 /nfs/dbraw/zinc/83/24/57/986832457.db2.gz DZBHIHIYAFTCQP-NSHDSACASA-N 1 0 228.299 2.360 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC)CC#N ZINC001255159240 986832673 /nfs/dbraw/zinc/83/26/73/986832673.db2.gz SBXGSARFUFVLJG-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](CC)CC#N ZINC001255159243 986833280 /nfs/dbraw/zinc/83/32/80/986833280.db2.gz SBXGSARFUFVLJG-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCSC2)CC1 ZINC001255269811 986880585 /nfs/dbraw/zinc/88/05/85/986880585.db2.gz OSSQMWRBTHIZLS-OUAUKWLOSA-N 1 0 210.346 2.164 20 30 BEEDRO N#CCc1cccc(-c2ccncc2C[NH3+])c1 ZINC001245558753 986951144 /nfs/dbraw/zinc/95/11/44/986951144.db2.gz UGMPJYMKWOOOJJ-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO N#Cc1ccc(-c2ccc3c[nH+]cn3c2)nc1F ZINC001245893950 987099489 /nfs/dbraw/zinc/09/94/89/987099489.db2.gz DTRNPAMUJNHUMU-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CCC[C@@H](C#N)C1 ZINC001255964751 987101760 /nfs/dbraw/zinc/10/17/60/987101760.db2.gz SJPGZOBEHIMAAA-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001491053504 987105584 /nfs/dbraw/zinc/10/55/84/987105584.db2.gz WENSWOSESMNBBO-MBNYWOFBSA-N 1 0 238.375 2.234 20 30 BEEDRO N#CCc1cncc(-c2ccc3c[nH+]cn3c2)c1 ZINC001245896121 987108386 /nfs/dbraw/zinc/10/83/86/987108386.db2.gz JZHJRYPUAHWZGE-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO N#CCc1ccc(-c2ccc3c[nH+]cn3c2)nc1 ZINC001245895182 987110163 /nfs/dbraw/zinc/11/01/63/987110163.db2.gz RDOYAHGRAAFTLF-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO N#CCc1cccnc1-c1ccc2c[nH+]cn2c1 ZINC001245895428 987115063 /nfs/dbraw/zinc/11/50/63/987115063.db2.gz ZXBKVHIMAGRUMW-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO N#CCc1cc(-c2ccc3c[nH+]cn3c2)ccn1 ZINC001245897430 987116438 /nfs/dbraw/zinc/11/64/38/987116438.db2.gz SDMPKXAHNRAFJF-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)/C(C)=C\CC ZINC001495631108 987130011 /nfs/dbraw/zinc/13/00/11/987130011.db2.gz WRGBSGBZSAWCLS-BFTHVDOESA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)F ZINC001491376536 987135251 /nfs/dbraw/zinc/13/52/51/987135251.db2.gz HTFUWDULVDTLEJ-WDEREUQCSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)F ZINC001491376532 987137074 /nfs/dbraw/zinc/13/70/74/987137074.db2.gz HTFUWDULVDTLEJ-GHMZBOCLSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]CCC ZINC001491470356 987169204 /nfs/dbraw/zinc/16/92/04/987169204.db2.gz SJMYRVMVNWAVAX-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC001101806528 987205497 /nfs/dbraw/zinc/20/54/97/987205497.db2.gz WCQBKPUTCBPGCD-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CCNC(C)=O)C1 ZINC001102628360 987215693 /nfs/dbraw/zinc/21/56/93/987215693.db2.gz RQIYDNZUHVGRFZ-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]CCC(=C)C ZINC001491549547 987230501 /nfs/dbraw/zinc/23/05/01/987230501.db2.gz YYRQJPBGTXSPBO-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H](CC)CN ZINC001246000610 987286768 /nfs/dbraw/zinc/28/67/68/987286768.db2.gz LPCGXAMDBLQODF-UONOGXRCSA-N 1 0 244.423 2.425 20 30 BEEDRO CCCCCCCC[C@H](O)CN1CC([NH2+]C)C1 ZINC001246015801 987294864 /nfs/dbraw/zinc/29/48/64/987294864.db2.gz XQDWZHRYYZKRTG-AWEZNQCLSA-N 1 0 242.407 2.002 20 30 BEEDRO C=CCCCCCC[C@H](O)CN(C)C[C@H](C)[NH3+] ZINC001246058295 987348718 /nfs/dbraw/zinc/34/87/18/987348718.db2.gz JKIAJFYEAXYBBU-KBPBESRZSA-N 1 0 242.407 2.153 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CNCCO1 ZINC001246086095 987386440 /nfs/dbraw/zinc/38/64/40/987386440.db2.gz BUCGLLFTIGDLAZ-UONOGXRCSA-N 1 0 242.407 2.313 20 30 BEEDRO C[C@@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1ccc(C#N)cc1 ZINC001246090427 987392939 /nfs/dbraw/zinc/39/29/39/987392939.db2.gz XKMCGMNPTGPHCU-YWPYICTPSA-N 1 0 243.354 2.349 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(N(C)C)n1 ZINC001473489741 987450165 /nfs/dbraw/zinc/45/01/65/987450165.db2.gz GQIXKJOAFZZWBD-CQSZACIVSA-N 1 0 231.343 2.039 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC001473640745 987511885 /nfs/dbraw/zinc/51/18/85/987511885.db2.gz IENFLZUKMFTUES-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[C@H](C)[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001473797040 987564100 /nfs/dbraw/zinc/56/41/00/987564100.db2.gz MWEQRTVZASPKEL-QWRGUYRKSA-N 1 0 219.332 2.369 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1CC1=NOCC1 ZINC001473857214 987591283 /nfs/dbraw/zinc/59/12/83/987591283.db2.gz JFTRHBCPZAAWAJ-GFCCVEGCSA-N 1 0 208.305 2.193 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC001116620171 987647632 /nfs/dbraw/zinc/64/76/32/987647632.db2.gz GEYSBGSNXBNWRU-ZYHUDNBSSA-N 1 0 249.310 2.267 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC001116621572 987650992 /nfs/dbraw/zinc/65/09/92/987650992.db2.gz XTTHODMIFSBHOB-UPJWGTAASA-N 1 0 241.375 2.369 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CCC(C)(C)O1 ZINC001116650557 987654935 /nfs/dbraw/zinc/65/49/35/987654935.db2.gz ANVXBQIXTPAPRR-CYBMUJFWSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CCSC1 ZINC001116827967 987724318 /nfs/dbraw/zinc/72/43/18/987724318.db2.gz SHAFWBAJOMUFDD-LBPRGKRZSA-N 1 0 209.358 2.085 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2cccnc2N)CC1 ZINC001474468716 987729136 /nfs/dbraw/zinc/72/91/36/987729136.db2.gz FPUPSENAQGPHJX-UHFFFAOYSA-N 1 0 244.342 2.083 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001474478743 987735264 /nfs/dbraw/zinc/73/52/64/987735264.db2.gz BPUQIXLWGHXVGT-GRYCIOLGSA-N 1 0 227.348 2.471 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1COC(C)(C)O1)C(C)(C)C ZINC001474562342 987761071 /nfs/dbraw/zinc/76/10/71/987761071.db2.gz BEWHHCDHMCNOGT-TUAOUCFPSA-N 1 0 239.359 2.164 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]CCSC(C)C ZINC001474651307 987791530 /nfs/dbraw/zinc/79/15/30/987791530.db2.gz KXATYVMEUBOYFS-GFCCVEGCSA-N 1 0 229.389 2.146 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CCSC(C)C ZINC001474651308 987793655 /nfs/dbraw/zinc/79/36/55/987793655.db2.gz KXATYVMEUBOYFS-LBPRGKRZSA-N 1 0 229.389 2.146 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@]1(C)CC ZINC001474693739 987803355 /nfs/dbraw/zinc/80/33/55/987803355.db2.gz VIWRDBJRRVVVMH-BFHYXJOUSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)c1ncc[nH]1 ZINC001474724785 987810864 /nfs/dbraw/zinc/81/08/64/987810864.db2.gz XCARGLSIRJMMFE-VXGBXAGGSA-N 1 0 237.347 2.168 20 30 BEEDRO C#CC1(N[C@@H]2CC[C@@H](C)[NH2+]C2)CCCCC1 ZINC001246461574 987820492 /nfs/dbraw/zinc/82/04/92/987820492.db2.gz DJMUVSHZSIVQPM-CHWSQXEVSA-N 1 0 220.360 2.053 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246465335 987824347 /nfs/dbraw/zinc/82/43/47/987824347.db2.gz VXVCCDNWSJXYQC-YNEHKIRRSA-N 1 0 223.364 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)C1=CCCC1 ZINC001496043247 987839702 /nfs/dbraw/zinc/83/97/02/987839702.db2.gz SHSQDDCRPRLUEI-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CCCNCC3)C[C@H](C1)C2 ZINC001246522753 987872490 /nfs/dbraw/zinc/87/24/90/987872490.db2.gz GJPXTAVXJWRIEP-YIONKMFJSA-N 1 0 234.387 2.417 20 30 BEEDRO CCCCCCC[C@H](C)N1C[C@H](O)C[C@H]([NH3+])C1 ZINC001246538634 987897761 /nfs/dbraw/zinc/89/77/61/987897761.db2.gz IKKROQPKLMRMHA-MELADBBJSA-N 1 0 242.407 2.129 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001479761572 987910105 /nfs/dbraw/zinc/91/01/05/987910105.db2.gz HXQZAICKGHXNJU-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)/C=C(\C)C1CC1 ZINC001321468661 987915397 /nfs/dbraw/zinc/91/53/97/987915397.db2.gz FADRIHJDOLJLDF-YTRUQHMWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)C(C)(C)C ZINC001479809007 987915988 /nfs/dbraw/zinc/91/59/88/987915988.db2.gz AYUYLBRSLIVYRP-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@H]1CC[C@@H](CN)[N@@H+]1C1CCC(CC#N)CC1 ZINC001246545581 987916951 /nfs/dbraw/zinc/91/69/51/987916951.db2.gz KRPJYJUZZKHLEY-ABXWRUBCSA-N 1 0 235.375 2.270 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)CC ZINC001321500381 987924310 /nfs/dbraw/zinc/92/43/10/987924310.db2.gz DNVBNVSJHZXTGX-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCCC(=O)CC)C1 ZINC001117801601 987926763 /nfs/dbraw/zinc/92/67/63/987926763.db2.gz UKJWEBLHGKSSJY-ZDUSSCGKSA-N 1 0 225.332 2.023 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]C/C=C\Cl ZINC001321531279 987934216 /nfs/dbraw/zinc/93/42/16/987934216.db2.gz FTTPWMSEQYIHRD-MEQVVJDKSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH+]1CCC2(C[C@H]2NC(=O)C=C(C)C)CC1 ZINC001479973770 987937365 /nfs/dbraw/zinc/93/73/65/987937365.db2.gz GCESBTXEJUPPSH-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001480104945 987942068 /nfs/dbraw/zinc/94/20/68/987942068.db2.gz QBZCXNYNKADGJV-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](CC)c1ccncc1 ZINC001117831363 987943355 /nfs/dbraw/zinc/94/33/55/987943355.db2.gz MTZLGGCPHQUYOY-OLZOCXBDSA-N 1 0 220.316 2.323 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C1CCC1 ZINC001321599600 987944203 /nfs/dbraw/zinc/94/42/03/987944203.db2.gz FSKSFWLNUHXGLZ-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)c1cccc(C)c1 ZINC001480419151 987972396 /nfs/dbraw/zinc/97/23/96/987972396.db2.gz DIXBYOYWXGKBRS-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CCCCC ZINC001480426345 987977577 /nfs/dbraw/zinc/97/75/77/987977577.db2.gz SAJYIIMOOUJGSP-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001321693835 987975079 /nfs/dbraw/zinc/97/50/79/987975079.db2.gz SESZWLMJTDGARW-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001480423243 987976270 /nfs/dbraw/zinc/97/62/70/987976270.db2.gz ZUYPKJBVDKYSQH-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001480533935 987998874 /nfs/dbraw/zinc/99/88/74/987998874.db2.gz MZWMKOXWEJDUAF-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC(C)(C)C1 ZINC001480533937 988004203 /nfs/dbraw/zinc/00/42/03/988004203.db2.gz MZWMKOXWEJDUAF-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC1(C(=O)NC[C@@H](C)[NH2+]CC)CCCC1 ZINC001480604256 988006190 /nfs/dbraw/zinc/00/61/90/988006190.db2.gz JSSSJSUPKQRBPQ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)CC1=CCCCC1 ZINC001321813079 988006523 /nfs/dbraw/zinc/00/65/23/988006523.db2.gz COEIJJJWVNLBFY-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CCC=C)C1 ZINC001480611978 988015692 /nfs/dbraw/zinc/01/56/92/988015692.db2.gz UJSZBMMSSHMUTG-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)/C=C\C(C)(C)C ZINC001480851388 988054185 /nfs/dbraw/zinc/05/41/85/988054185.db2.gz VHFKQEQRXFJMRZ-HJWRWDBZSA-N 1 0 238.375 2.213 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@H](C)CC[C@@H]1CN ZINC001246571565 988063824 /nfs/dbraw/zinc/06/38/24/988063824.db2.gz VSHZQQQENYMVLF-FRRDWIJNSA-N 1 0 223.364 2.128 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)CCC ZINC001321966216 988066011 /nfs/dbraw/zinc/06/60/11/988066011.db2.gz PLLPHUMZJMATIM-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)CC=C ZINC001322002362 988078639 /nfs/dbraw/zinc/07/86/39/988078639.db2.gz ISSFXDBCCZRAPG-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC(=O)NCC[C@@H]1CC[N@@H+](CCC)C1 ZINC001493996435 988119058 /nfs/dbraw/zinc/11/90/58/988119058.db2.gz FWXIZGWDQACRHQ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC(NC(=O)CCCC)C1 ZINC001494339287 988132455 /nfs/dbraw/zinc/13/24/55/988132455.db2.gz CPDFCLCGXJRCLU-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)C[C@@H](C)CC)C1 ZINC001494377303 988133024 /nfs/dbraw/zinc/13/30/24/988133024.db2.gz JFKZTHUBCMRDCW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)C[C@H](C)CC)C1 ZINC001494377302 988135122 /nfs/dbraw/zinc/13/51/22/988135122.db2.gz JFKZTHUBCMRDCW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001322150760 988137716 /nfs/dbraw/zinc/13/77/16/988137716.db2.gz ZFUTZICGQDJJLV-ZDUSSCGKSA-N 1 0 235.327 2.294 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)/C=C(\C)CC)C1 ZINC001494384176 988144448 /nfs/dbraw/zinc/14/44/48/988144448.db2.gz YROQEMDWDHQRGJ-XYOKQWHBSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH+]1CC(CNC(=O)CC(C)(C)C)C1 ZINC001494523664 988153621 /nfs/dbraw/zinc/15/36/21/988153621.db2.gz LEBRRXHOXABVLU-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001322284756 988188600 /nfs/dbraw/zinc/18/86/00/988188600.db2.gz FJUMETUEIOQTGT-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)/C(C)=C\CC ZINC001494947861 988199777 /nfs/dbraw/zinc/19/97/77/988199777.db2.gz LIZATUHIORRUSC-FSBNRTBOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CCC ZINC001494930403 988201884 /nfs/dbraw/zinc/20/18/84/988201884.db2.gz OKADXRYOFUJPPZ-JTQLQIEISA-N 1 0 232.755 2.023 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)/C=C(/C)CC ZINC001494979764 988204601 /nfs/dbraw/zinc/20/46/01/988204601.db2.gz VNIXJBRDSNJHBF-MMRAYRKESA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)/C=C(\C)CC ZINC001494979766 988206220 /nfs/dbraw/zinc/20/62/20/988206220.db2.gz VNIXJBRDSNJHBF-ZKQHCESOSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001118307349 988211413 /nfs/dbraw/zinc/21/14/13/988211413.db2.gz DBQLLOPLEMPVFB-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(NC(C)=O)CCCC1 ZINC001495114318 988215966 /nfs/dbraw/zinc/21/59/66/988215966.db2.gz GLXJKCKOIWKJCW-GFCCVEGCSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(NC(C)=O)CCCC1 ZINC001495114319 988217808 /nfs/dbraw/zinc/21/78/08/988217808.db2.gz GLXJKCKOIWKJCW-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C/C=C(/C)C=C ZINC001496142949 988286835 /nfs/dbraw/zinc/28/68/35/988286835.db2.gz XCDVZWWLXKQTJA-LLBKUYECSA-N 1 0 236.359 2.131 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)C1(C)CC1)C(C)C ZINC001496555216 988301972 /nfs/dbraw/zinc/30/19/72/988301972.db2.gz CFGASVOSLBOZAX-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)/C(C)=C/C ZINC001496687895 988320266 /nfs/dbraw/zinc/32/02/66/988320266.db2.gz WAGSQHXLROUEOV-NTUHNPAUSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C=C(CC)CC ZINC001497164947 988363445 /nfs/dbraw/zinc/36/34/45/988363445.db2.gz FZFGCPPVDXMUFG-LBPRGKRZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C/C=C(\C)C=C ZINC001497249094 988366975 /nfs/dbraw/zinc/36/69/75/988366975.db2.gz UBCOEBXDLDLSNL-BWODNOAJSA-N 1 0 236.359 2.179 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)C1CCC1 ZINC001497512310 988382787 /nfs/dbraw/zinc/38/27/87/988382787.db2.gz SMZOEUMYIIDCSK-AATRIKPKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C1CC[NH+](CC2CCC(O)CC2)CC1 ZINC001118494556 988385527 /nfs/dbraw/zinc/38/55/27/988385527.db2.gz IFDJVQKJOFHMQB-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C/C(C)=C/CC(=O)NC/C=C\C[NH2+]CC(=C)C ZINC001497649361 988406051 /nfs/dbraw/zinc/40/60/51/988406051.db2.gz DOSRUDMQOGFBBO-BHWOWGIZSA-N 1 0 248.370 2.347 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)C1(C)CC(=C)C1 ZINC001497672313 988406442 /nfs/dbraw/zinc/40/64/42/988406442.db2.gz HIORCBOXCUOCMB-AATRIKPKSA-N 1 0 248.370 2.181 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC001497807970 988414935 /nfs/dbraw/zinc/41/49/35/988414935.db2.gz JONXLVLBODBPKR-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)C[NH2+]CC)CCCC1 ZINC001498000146 988435967 /nfs/dbraw/zinc/43/59/67/988435967.db2.gz TUWWSFRFGVRRLZ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)c1ccccc1C ZINC001498006432 988440721 /nfs/dbraw/zinc/44/07/21/988440721.db2.gz RWSKECTVMDBCDL-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001498010696 988443899 /nfs/dbraw/zinc/44/38/99/988443899.db2.gz UNNBGACKBKMLIN-NEPJUHHUSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001498010697 988446332 /nfs/dbraw/zinc/44/63/32/988446332.db2.gz UNNBGACKBKMLIN-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001498032567 988448535 /nfs/dbraw/zinc/44/85/35/988448535.db2.gz JONXLVLBODBPKR-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]CCC1CC1 ZINC001498047356 988449934 /nfs/dbraw/zinc/44/99/34/988449934.db2.gz WXFXWAJSHNJEFY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](F)C(C)C ZINC001498089720 988455175 /nfs/dbraw/zinc/45/51/75/988455175.db2.gz UEEDFOOSSUHMIZ-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C[C@@H]1CC[C@H](N(CCC#N)C2CCCC2)C[NH2+]1 ZINC001246770754 988457388 /nfs/dbraw/zinc/45/73/88/988457388.db2.gz SEXYHBGGBCACAQ-OCCSQVGLSA-N 1 0 235.375 2.285 20 30 BEEDRO C[C@H]1CCCCN1[NH+]=Cc1cccnc1N(C)C ZINC001118591377 988469244 /nfs/dbraw/zinc/46/92/44/988469244.db2.gz KFZCEADSALLSMI-LBPRGKRZSA-N 1 0 246.358 2.356 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC(C)(C)C ZINC001498229972 988469730 /nfs/dbraw/zinc/46/97/30/988469730.db2.gz YKKPHBFEKMWAKU-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@H+](C)CCC1CC1 ZINC001498241022 988474429 /nfs/dbraw/zinc/47/44/29/988474429.db2.gz TZBJRRDUYWIPFW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C[NH2+]CC)C1CC1 ZINC001498803438 988501670 /nfs/dbraw/zinc/50/16/70/988501670.db2.gz QVZYADFUOWHFSC-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001498948804 988523480 /nfs/dbraw/zinc/52/34/80/988523480.db2.gz XOKPJXIWHRUWSI-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)NCC1([NH2+]CC(C)C)CC1 ZINC001499310272 988547179 /nfs/dbraw/zinc/54/71/79/988547179.db2.gz IZBIIJCOOBKSFR-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)[C@H](C)C(C)C)CC1 ZINC001323556135 988550652 /nfs/dbraw/zinc/55/06/52/988550652.db2.gz UDRMHCJAZYOMRW-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+]([C@H](C)C#CCC)C1 ZINC001323729049 988601096 /nfs/dbraw/zinc/60/10/96/988601096.db2.gz NOIRHBGVJZZOHN-OLZOCXBDSA-N 1 0 207.317 2.065 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC001323730209 988601732 /nfs/dbraw/zinc/60/17/32/988601732.db2.gz RXLWRAMXMKPBIK-LBPRGKRZSA-N 1 0 236.315 2.068 20 30 BEEDRO C=CCCC(=O)N1CC[C@@]2(CC[N@H+](CC=C)C2)C1 ZINC001323843397 988630097 /nfs/dbraw/zinc/63/00/97/988630097.db2.gz FOWCHFSQXZYVFM-OAHLLOKOSA-N 1 0 248.370 2.063 20 30 BEEDRO CC(C)(C#N)C[NH2+]Cc1cccc2c[nH]nc21 ZINC001323846090 988630299 /nfs/dbraw/zinc/63/02/99/988630299.db2.gz VGLXWCCWMXTOCL-UHFFFAOYSA-N 1 0 228.299 2.202 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)/C(C)=C/CC ZINC001503110441 988653549 /nfs/dbraw/zinc/65/35/49/988653549.db2.gz MWQNRVUMGOYUPQ-RPHSKFLZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H](C)CC ZINC001503084924 988653805 /nfs/dbraw/zinc/65/38/05/988653805.db2.gz LXDJDZPCOQAWOL-ONGXEEELSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)C ZINC001505547907 988686916 /nfs/dbraw/zinc/68/69/16/988686916.db2.gz QQWABAUCECAJOO-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cccc(C)c1 ZINC001505550103 988686977 /nfs/dbraw/zinc/68/69/77/988686977.db2.gz GDAXHSMXMLZNLV-STQMWFEESA-N 1 0 246.354 2.277 20 30 BEEDRO CC[NH+]1CCC(Nc2cccc(CC#N)n2)CC1 ZINC001324085697 988692669 /nfs/dbraw/zinc/69/26/69/988692669.db2.gz QMFNYCYJYCMDLE-UHFFFAOYSA-N 1 0 244.342 2.044 20 30 BEEDRO C=CCC[C@@H](C)N(C)[C@@]1(C)CCC[NH2+]C1 ZINC001246914554 988702546 /nfs/dbraw/zinc/70/25/46/988702546.db2.gz SMNSBIAEDMZNGQ-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CC(C)(C)C=C ZINC001505613705 988703910 /nfs/dbraw/zinc/70/39/10/988703910.db2.gz LCVVZGVUEAKZMP-VXGBXAGGSA-N 1 0 238.375 2.258 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001505613239 988705696 /nfs/dbraw/zinc/70/56/96/988705696.db2.gz FQBWKEIKVDKTCR-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](C)CCC ZINC001118943193 988722500 /nfs/dbraw/zinc/72/25/00/988722500.db2.gz YWRCDNNKJKQXML-STQMWFEESA-N 1 0 211.349 2.441 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)CCC ZINC001505886434 988729368 /nfs/dbraw/zinc/72/93/68/988729368.db2.gz IBASUOHOCCJYBP-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCN([C@H]1CC[C@H](C)[NH2+]C1)C(C)(C)C ZINC001246919698 988731516 /nfs/dbraw/zinc/73/15/16/988731516.db2.gz JSVRCWZARQRSSV-RYUDHWBXSA-N 1 0 210.365 2.413 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001505886435 988735039 /nfs/dbraw/zinc/73/50/39/988735039.db2.gz IBASUOHOCCJYBP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C(CC)CC ZINC001505873700 988738327 /nfs/dbraw/zinc/73/83/27/988738327.db2.gz GJZHDDSLDAORML-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](F)CC ZINC001505978240 988749539 /nfs/dbraw/zinc/74/95/39/988749539.db2.gz AAXYBDKTZMJCDS-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](C)[N@@H+](C)CC(C)C ZINC001505990073 988751456 /nfs/dbraw/zinc/75/14/56/988751456.db2.gz AEOMOPVCFUFANZ-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)nc1)CC1CC1 ZINC001324228075 988761942 /nfs/dbraw/zinc/76/19/42/988761942.db2.gz NUJRQIVWUXVTRZ-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](NC(=O)CC)C(C)(C)C1 ZINC001506723230 988790015 /nfs/dbraw/zinc/79/00/15/988790015.db2.gz IXDAHIMFKQVOGC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)C1(C)CCC1 ZINC001506933172 988799112 /nfs/dbraw/zinc/79/91/12/988799112.db2.gz KZHANZRFTCBVFF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H]1C[NH+](C2CCC(CC#N)CC2)C[C@@H](C)N1 ZINC001246971029 988801829 /nfs/dbraw/zinc/80/18/29/988801829.db2.gz YPIXBEBXHFGFQD-IWMBGFJWSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)C(C)(C)CC ZINC001506935716 988802045 /nfs/dbraw/zinc/80/20/45/988802045.db2.gz CTDJJPJQBVCFSY-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]C[C@@H](F)CC ZINC001507057251 988811477 /nfs/dbraw/zinc/81/14/77/988811477.db2.gz QVYJEYCMTPWZHT-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001507119031 988820021 /nfs/dbraw/zinc/82/00/21/988820021.db2.gz RBPLJKNJHSBFJL-OCCSQVGLSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCN[C@H](C(F)(F)F)C1 ZINC001246994875 988829772 /nfs/dbraw/zinc/82/97/72/988829772.db2.gz YNHUCZNHDPUNEI-UWVGGRQHSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(\C)CC)[C@H]1C ZINC001507277358 988833236 /nfs/dbraw/zinc/83/32/36/988833236.db2.gz BRVQGLSEZVUGGC-LZBRBDLSSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(/C)CC)[C@H]1C ZINC001507277360 988833352 /nfs/dbraw/zinc/83/33/52/988833352.db2.gz BRVQGLSEZVUGGC-SENBOFQLSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)/C=C(\C)CC)C1 ZINC001507311922 988836606 /nfs/dbraw/zinc/83/66/06/988836606.db2.gz BHTYFDUNPUQRMT-UAIPSJAGSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C1CC([NH2+]CC)C1 ZINC001508138634 988850043 /nfs/dbraw/zinc/85/00/43/988850043.db2.gz CTRVNFFNMRHUBJ-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(C3CC3)CCOCC2)C1 ZINC001324474839 988850514 /nfs/dbraw/zinc/85/05/14/988850514.db2.gz ZPJFHAHYDOLWEU-WCQYABFASA-N 1 0 234.343 2.227 20 30 BEEDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)CCC#N)cnn1C ZINC001119238936 988856995 /nfs/dbraw/zinc/85/69/95/988856995.db2.gz CLIWPXDMHRYDQD-GHMZBOCLSA-N 1 0 234.347 2.319 20 30 BEEDRO C=CCCSCC[NH2+]CC1(OC)CCC1 ZINC001119247102 988862841 /nfs/dbraw/zinc/86/28/41/988862841.db2.gz RFZKUIRJQWNXDR-UHFFFAOYSA-N 1 0 229.389 2.454 20 30 BEEDRO C[C@H]1CC(=NOC(C)(C)C)C[N@@H+]1C1CC1 ZINC001324557704 988871823 /nfs/dbraw/zinc/87/18/23/988871823.db2.gz FVMQBLZCGFGGNN-VIFPVBQESA-N 1 0 210.321 2.414 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001324565883 988875007 /nfs/dbraw/zinc/87/50/07/988875007.db2.gz LYWXJAIZVJHKHR-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](C)CCC ZINC001119306472 988915898 /nfs/dbraw/zinc/91/58/98/988915898.db2.gz FCZVQCUYCIGPHU-KOLCDFICSA-N 1 0 246.782 2.399 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CCC2(CCC2)O1 ZINC001119309646 988922520 /nfs/dbraw/zinc/92/25/20/988922520.db2.gz ZMUDHSVKRQERQU-CQSZACIVSA-N 1 0 233.355 2.433 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001119306847 988925437 /nfs/dbraw/zinc/92/54/37/988925437.db2.gz VNHIAXSNXMQYTF-AVGNSLFASA-N 1 0 209.333 2.452 20 30 BEEDRO CN1CCN(N=Cc2cccc3ccoc32)CC1 ZINC001324848744 989002282 /nfs/dbraw/zinc/00/22/82/989002282.db2.gz QMDZKYASSALGEF-UHFFFAOYSA-N 1 0 243.310 2.014 20 30 BEEDRO C#CC[N@@H+](Cc1cnccc1C)CC1CC1 ZINC001324967093 989036284 /nfs/dbraw/zinc/03/62/84/989036284.db2.gz POHGINMVEOLNBO-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO N#Cc1cccc(C[N@H+]2C3CCC2(CO)CC3)c1 ZINC000722998387 989044841 /nfs/dbraw/zinc/04/48/41/989044841.db2.gz NNWVYLWFXYASKW-UHFFFAOYSA-N 1 0 242.322 2.048 20 30 BEEDRO C#Cc1ccc(NC[C@@H]2CCCC[N@H+]2CC)nc1 ZINC001515457561 989049645 /nfs/dbraw/zinc/04/96/45/989049645.db2.gz CUQJSDWSKJBCFK-AWEZNQCLSA-N 1 0 243.354 2.349 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001325011360 989052708 /nfs/dbraw/zinc/05/27/08/989052708.db2.gz POIXBMZQPGKTCV-AAEUAGOBSA-N 1 0 235.327 2.114 20 30 BEEDRO C=CCO[C@H]1CCN(c2cc[nH+]c(CC)c2)C1 ZINC001325182087 989111349 /nfs/dbraw/zinc/11/13/49/989111349.db2.gz QTEOAMDKVRTDEG-AWEZNQCLSA-N 1 0 232.327 2.425 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC001119515286 989119582 /nfs/dbraw/zinc/11/95/82/989119582.db2.gz BJTFHOJFJJTQOG-VNHYZAJKSA-N 1 0 231.339 2.152 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC001325228265 989127152 /nfs/dbraw/zinc/12/71/52/989127152.db2.gz LAPDFBXQRTWGAV-NSHDSACASA-N 1 0 213.397 2.141 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC001248743318 989140193 /nfs/dbraw/zinc/14/01/93/989140193.db2.gz UZIAVRSJSLXBLL-HNNXBMFYSA-N 1 0 244.338 2.077 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001325291108 989145386 /nfs/dbraw/zinc/14/53/86/989145386.db2.gz SOCSVPRODMORMD-CQSZACIVSA-N 1 0 248.370 2.352 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC001325620202 989220100 /nfs/dbraw/zinc/22/01/00/989220100.db2.gz RRYUWHGVXBDQLM-FZMZJTMJSA-N 1 0 230.311 2.410 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001325620203 989221379 /nfs/dbraw/zinc/22/13/79/989221379.db2.gz RRYUWHGVXBDQLM-RISCZKNCSA-N 1 0 230.311 2.410 20 30 BEEDRO C=C[C@@H](COC)NC1CC[NH+](C(C)(C)C)CC1 ZINC001325635827 989222839 /nfs/dbraw/zinc/22/28/39/989222839.db2.gz QEDSWYFFDYCYHJ-LBPRGKRZSA-N 1 0 240.391 2.040 20 30 BEEDRO N#Cc1ccn2ncc(C[NH+]3CCCCC3)c2c1 ZINC001249082200 989249425 /nfs/dbraw/zinc/24/94/25/989249425.db2.gz KQKGHXZNAMUKRK-UHFFFAOYSA-N 1 0 240.310 2.192 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249086630 989251156 /nfs/dbraw/zinc/25/11/56/989251156.db2.gz LHQZAQBZUSLNML-NSHDSACASA-N 1 0 242.326 2.436 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001325875325 989296520 /nfs/dbraw/zinc/29/65/20/989296520.db2.gz UNOCKRZGBMMFIK-UONOGXRCSA-N 1 0 223.360 2.129 20 30 BEEDRO C#C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCCO1 ZINC001119744136 989378232 /nfs/dbraw/zinc/37/82/32/989378232.db2.gz UAWROVJLYBDABE-WUCCLRPBSA-N 1 0 246.354 2.087 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@@H]1CCCO1 ZINC001119744133 989381414 /nfs/dbraw/zinc/38/14/14/989381414.db2.gz UAWROVJLYBDABE-CVSAEHQPSA-N 1 0 246.354 2.087 20 30 BEEDRO C[C@H](O)[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001119780275 989397376 /nfs/dbraw/zinc/39/73/76/989397376.db2.gz GLRKASKBMNLGEX-ABXWRUBCSA-N 1 0 236.359 2.019 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=C)CC)CC1 ZINC001519363346 989397493 /nfs/dbraw/zinc/39/74/93/989397493.db2.gz PMENPBOQBCWMPN-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001326191854 989412414 /nfs/dbraw/zinc/41/24/14/989412414.db2.gz SDMHBHGTSYDGOI-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)c1cccc(C)c1)C1CC1 ZINC001119819314 989419765 /nfs/dbraw/zinc/41/97/65/989419765.db2.gz YPSVZVILZWQEBY-OAHLLOKOSA-N 1 0 229.323 2.126 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC001519601132 989439309 /nfs/dbraw/zinc/43/93/09/989439309.db2.gz CAMHZWNHXXUQJC-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CC[N@H+](Cc1ncccc1C)C(C)C ZINC001119920218 989482270 /nfs/dbraw/zinc/48/22/70/989482270.db2.gz FQFZNOGXBYEJAF-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC001120040028 989575909 /nfs/dbraw/zinc/57/59/09/989575909.db2.gz QDQOWBZYYUDATM-DTWKUNHWSA-N 1 0 218.138 2.278 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001326488648 989582811 /nfs/dbraw/zinc/58/28/11/989582811.db2.gz LHGONWOEZCDRNY-RDBSUJKOSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCCC(=O)N1CC2(C1)CC[NH+](CC=C)CC2 ZINC001326572909 989610338 /nfs/dbraw/zinc/61/03/38/989610338.db2.gz LQQKVDGWEIYETC-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn2ccnc2s1 ZINC001120248909 989615482 /nfs/dbraw/zinc/61/54/82/989615482.db2.gz BEVXPWRKHJCKIF-UHFFFAOYSA-N 1 0 233.340 2.289 20 30 BEEDRO CC(C)(F)CC[NH2+]C[C@@H](C#N)CCC#N ZINC001120560912 989727549 /nfs/dbraw/zinc/72/75/49/989727549.db2.gz KOMBCKXPZNDLFM-SNVBAGLBSA-N 1 0 211.284 2.158 20 30 BEEDRO C=C(CC)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC001521605602 989751768 /nfs/dbraw/zinc/75/17/68/989751768.db2.gz GVTUXXAWQQJQRA-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C#C[C@H](C)[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001120584118 989756897 /nfs/dbraw/zinc/75/68/97/989756897.db2.gz XSVTXPMIRWZZEO-JTQLQIEISA-N 1 0 248.301 2.074 20 30 BEEDRO C=C(CC)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC001521898969 989814545 /nfs/dbraw/zinc/81/45/45/989814545.db2.gz LUXKEYWLZAJDCC-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(C)CCC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC001120683279 989829340 /nfs/dbraw/zinc/82/93/40/989829340.db2.gz BJNIVYSIYHEPIQ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC001120698601 989837474 /nfs/dbraw/zinc/83/74/74/989837474.db2.gz NIICFUUWTWIKPV-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CCC(=O)NCc1ccc2c[nH+]cn2c1 ZINC001120746283 989864200 /nfs/dbraw/zinc/86/42/00/989864200.db2.gz NNUBRMQJWVATQI-UHFFFAOYSA-N 1 0 243.310 2.307 20 30 BEEDRO C=CCCC[C@@H](C)Nc1nccnc1C[NH3+] ZINC001120829768 989907229 /nfs/dbraw/zinc/90/72/29/989907229.db2.gz GMJFNHSSAPNYGJ-SNVBAGLBSA-N 1 0 220.320 2.092 20 30 BEEDRO C=CC1(CC(=O)N[C@H]2C[C@@H]([NH3+])C2)CCCCC1 ZINC001524174374 989982512 /nfs/dbraw/zinc/98/25/12/989982512.db2.gz QEBPZIIVWOUDDZ-TXEJJXNPSA-N 1 0 236.359 2.119 20 30 BEEDRO C=CCC[C@@H]1CCCN1c1nc(N)cc(C)[nH+]1 ZINC001120976572 989995391 /nfs/dbraw/zinc/99/53/91/989995391.db2.gz UFQUGZJFQIZNEA-LLVKDONJSA-N 1 0 232.331 2.302 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C[C@H](C)CC ZINC001121876342 990106044 /nfs/dbraw/zinc/10/60/44/990106044.db2.gz ZVJQPKPYHSCCAO-NEPJUHHUSA-N 1 0 226.364 2.175 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122100468 990237708 /nfs/dbraw/zinc/23/77/08/990237708.db2.gz ROBTWRKZLSOWCC-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CC[NH2+]C(C)C ZINC001122374290 990360963 /nfs/dbraw/zinc/36/09/63/990360963.db2.gz LDTIUAGUOSEVES-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C1CCCC1 ZINC001122480710 990395859 /nfs/dbraw/zinc/39/58/59/990395859.db2.gz IHJNGYAKIIATMN-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC1CCCC1 ZINC001122871606 990454107 /nfs/dbraw/zinc/45/41/07/990454107.db2.gz PERHBHPRKDFQIV-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CCC1CCCC1 ZINC001122865237 990454705 /nfs/dbraw/zinc/45/47/05/990454705.db2.gz CELWXFNBHNEROM-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)c1cccs1 ZINC001122898521 990460858 /nfs/dbraw/zinc/46/08/58/990460858.db2.gz MAUYLQVHNZSZDP-UHFFFAOYSA-N 1 0 238.356 2.034 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)c1cccs1 ZINC001122898781 990461835 /nfs/dbraw/zinc/46/18/35/990461835.db2.gz VHCJAJNUGSVWIY-UHFFFAOYSA-N 1 0 238.356 2.034 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)[C@H]1C[C@H]1C ZINC001122937212 990465689 /nfs/dbraw/zinc/46/56/89/990465689.db2.gz DZFMFMMBSSWFAX-OLZOCXBDSA-N 1 0 240.391 2.319 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)[C@H]1C[C@@H]1C ZINC001122937214 990466589 /nfs/dbraw/zinc/46/65/89/990466589.db2.gz DZFMFMMBSSWFAX-STQMWFEESA-N 1 0 240.391 2.319 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C=C(C)C ZINC001122997460 990485775 /nfs/dbraw/zinc/48/57/75/990485775.db2.gz VMAYANDRNVGEOM-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C[C@@H]1C=CCC1 ZINC001123327666 990547936 /nfs/dbraw/zinc/54/79/36/990547936.db2.gz UKHCPKJPAYYPRK-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCCCC ZINC001123583318 990617745 /nfs/dbraw/zinc/61/77/45/990617745.db2.gz YQCAOELRXMNKMY-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=C(CC)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC001123687697 990648688 /nfs/dbraw/zinc/64/86/88/990648688.db2.gz QGGOZEAAMIGHMZ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC001123837239 990679500 /nfs/dbraw/zinc/67/95/00/990679500.db2.gz HTICWKFOPRYOPB-ZDUSSCGKSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](CC)CCCC ZINC001123935513 990708513 /nfs/dbraw/zinc/70/85/13/990708513.db2.gz FFVTUQCCQJBLLK-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001124047022 990742304 /nfs/dbraw/zinc/74/23/04/990742304.db2.gz KFUOSZPMIGFQIS-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(C)=O ZINC001566524792 990762763 /nfs/dbraw/zinc/76/27/63/990762763.db2.gz OZVMGUNYOJWIDW-OCCSQVGLSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(CC)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC001548628532 990772491 /nfs/dbraw/zinc/77/24/91/990772491.db2.gz RRQBQXPXFJJUFI-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@@H](C)CCC ZINC001124612630 990800272 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ZINC001559769802 991251116 /nfs/dbraw/zinc/25/11/16/991251116.db2.gz SPLJAQUQXLBVIO-UPJWGTAASA-N 1 0 211.349 2.434 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(=O)[nH]c1 ZINC001139468090 991253813 /nfs/dbraw/zinc/25/38/13/991253813.db2.gz QVLNHOMNCQSHJZ-XYYAHUGASA-N 1 0 243.310 2.054 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC001340064432 991299495 /nfs/dbraw/zinc/29/94/95/991299495.db2.gz NWXMFVPSMPSJNH-NWDGAFQWSA-N 1 0 249.358 2.460 20 30 BEEDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(C#N)ccc1F ZINC001139646731 991308989 /nfs/dbraw/zinc/30/89/89/991308989.db2.gz HOQZFBHEZVSVBC-GWCFXTLKSA-N 1 0 248.301 2.043 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC001559900158 991313745 /nfs/dbraw/zinc/31/37/45/991313745.db2.gz WWGULDVZSSYRJR-HZSPNIEDSA-N 1 0 221.344 2.147 20 30 BEEDRO CC1C[NH+](Cc2c[nH]c3c2cccc3C#N)C1 ZINC001139701349 991328936 /nfs/dbraw/zinc/32/89/36/991328936.db2.gz FFBFMGDQYSQVOB-UHFFFAOYSA-N 1 0 225.295 2.491 20 30 BEEDRO N#Cc1cccc2c(C[N@@H+]3C[C@@H]4C[C@@H]4C3)c[nH]c21 ZINC001139702630 991331744 /nfs/dbraw/zinc/33/17/44/991331744.db2.gz DZHFMBBPCAXSKV-TXEJJXNPSA-N 1 0 237.306 2.491 20 30 BEEDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1C#N ZINC001139726142 991345949 /nfs/dbraw/zinc/34/59/49/991345949.db2.gz VNCZXZXYUNSZMF-DZGCQCFKSA-N 1 0 242.322 2.087 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@]23CCOC3)cc1C#N ZINC001139727583 991348549 /nfs/dbraw/zinc/34/85/49/991348549.db2.gz VTUNNTJNRKJRKQ-HNNXBMFYSA-N 1 0 242.322 2.232 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@@H](C)COC ZINC001559993058 991351802 /nfs/dbraw/zinc/35/18/02/991351802.db2.gz ODDUNUKHCAWPTM-IHRRRGAJSA-N 1 0 241.375 2.060 20 30 BEEDRO N#CCC[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258409763 991351885 /nfs/dbraw/zinc/35/18/85/991351885.db2.gz HAZOIJGDBGYCRO-UHFFFAOYSA-N 1 0 247.317 2.298 20 30 BEEDRO C=CCn1cc(C[N@@H+](CC)CCC)cn1 ZINC001139766608 991361078 /nfs/dbraw/zinc/36/10/78/991361078.db2.gz RDWHDMCRKDUXAI-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@@H]2C)cn1 ZINC001139766800 991361847 /nfs/dbraw/zinc/36/18/47/991361847.db2.gz VAUFBDUCFHMIIX-NSHDSACASA-N 1 0 205.305 2.053 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)C ZINC001328978050 991400061 /nfs/dbraw/zinc/40/00/61/991400061.db2.gz NANCHLYOFMBRLB-QWRGUYRKSA-N 1 0 246.782 2.268 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C=C(C)C)[C@H]1CC ZINC001316725205 991402553 /nfs/dbraw/zinc/40/25/53/991402553.db2.gz CTBQANMQRIXGDJ-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)cc(C#N)c1 ZINC001139875123 991406757 /nfs/dbraw/zinc/40/67/57/991406757.db2.gz HHTGRQIYADYYRO-UHFFFAOYSA-N 1 0 204.248 2.315 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)C[C@@H](C)CC ZINC001316818554 991412127 /nfs/dbraw/zinc/41/21/27/991412127.db2.gz GLCYQUJJPPSETO-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)CCC(C)C ZINC001560209756 991416370 /nfs/dbraw/zinc/41/63/70/991416370.db2.gz XEFZLRAZKULXHH-KBPBESRZSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)/C(C)=C\C)[C@H]1C ZINC001316779320 991422679 /nfs/dbraw/zinc/42/26/79/991422679.db2.gz GOOSAHHZFDDWFV-CUBYMHMKSA-N 1 0 236.359 2.108 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(S)CC2)cn1 ZINC001139932791 991424220 /nfs/dbraw/zinc/42/42/20/991424220.db2.gz OSTAYNAHENJBQJ-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001316973712 991432947 /nfs/dbraw/zinc/43/29/47/991432947.db2.gz HUXDVNMDFSJTTH-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCCOCC[N@@H+]1CC=CC12CCCCC2 ZINC001560236592 991436043 /nfs/dbraw/zinc/43/60/43/991436043.db2.gz SBIVOQQXXPOMNX-UHFFFAOYSA-N 1 0 234.343 2.491 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CC(C)C)C1 ZINC001317052890 991444353 /nfs/dbraw/zinc/44/43/53/991444353.db2.gz ZVSZQZXSCABXSU-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[C@H](C)CC)C1 ZINC001317091129 991450541 /nfs/dbraw/zinc/45/05/41/991450541.db2.gz YKSFAJWXFJSZGD-YVECIDJPSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001317089722 991451759 /nfs/dbraw/zinc/45/17/59/991451759.db2.gz WENSWOSESMNBBO-OBJOEFQTSA-N 1 0 238.375 2.234 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)CCC(=O)OCC ZINC001258479536 991452661 /nfs/dbraw/zinc/45/26/61/991452661.db2.gz IDRKRYLNTIXZBB-DGCLKSJQSA-N 1 0 225.332 2.110 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H](C)CC)C1 ZINC001317123742 991455739 /nfs/dbraw/zinc/45/57/39/991455739.db2.gz TWTBNPBGEIGCKL-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C(CC)CC ZINC001317226671 991466731 /nfs/dbraw/zinc/46/67/31/991466731.db2.gz GSNYZDUQMFFXDD-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+]Cc1snc(OC)c1Cl ZINC001560469600 991478824 /nfs/dbraw/zinc/47/88/24/991478824.db2.gz HOPQUBWLXMEOMB-UHFFFAOYSA-N 1 0 232.736 2.471 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@](C)(C=C)CC ZINC001317263353 991481436 /nfs/dbraw/zinc/48/14/36/991481436.db2.gz BYBMURBTCGYSPL-JSGCOSHPSA-N 1 0 238.375 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C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CCCC ZINC001319455902 991872560 /nfs/dbraw/zinc/87/25/60/991872560.db2.gz YPEDQORWCZHZJB-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC1(C)CC1 ZINC001319498209 991878333 /nfs/dbraw/zinc/87/83/33/991878333.db2.gz LSOVKUCPRJEQOD-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](F)CC ZINC001319512401 991880185 /nfs/dbraw/zinc/88/01/85/991880185.db2.gz YFRRFPHAKAKMFE-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C1(C)CCC1 ZINC001319510848 991880428 /nfs/dbraw/zinc/88/04/28/991880428.db2.gz MWDNIPANWKITOS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](F)CC ZINC001319512403 991882344 /nfs/dbraw/zinc/88/23/44/991882344.db2.gz YFRRFPHAKAKMFE-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C/C(C)=C\CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=C)C)C1 ZINC001566848628 991884844 /nfs/dbraw/zinc/88/48/44/991884844.db2.gz TYFMUNLKRDJGQC-ITRSLCTRSA-N 1 0 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2.237 20 30 BEEDRO C=C1CCC(C(=O)NC[C@H](C)[NH2+]CCC)CC1 ZINC001567050859 991926712 /nfs/dbraw/zinc/92/67/12/991926712.db2.gz JGPSPNWSHVYQST-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001567121655 991946340 /nfs/dbraw/zinc/94/63/40/991946340.db2.gz RVCJCJANEBMZKA-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]([N@@H+](C)CCC)C1 ZINC001567187474 991956440 /nfs/dbraw/zinc/95/64/40/991956440.db2.gz CDKUNBSXTGUWQM-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[C@@H](C)[NH2+]CCC ZINC001567216322 991965448 /nfs/dbraw/zinc/96/54/48/991965448.db2.gz RIRKAGRNSXGIQL-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C1(C)CC(=C)C1 ZINC001567228780 991966822 /nfs/dbraw/zinc/96/68/22/991966822.db2.gz HRARDFYLCFHYAB-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001567232503 991970807 /nfs/dbraw/zinc/97/08/07/991970807.db2.gz ZJLKCEGPJFTSJI-LBPRGKRZSA-N 1 0 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ZINC001570078868 992437415 /nfs/dbraw/zinc/43/74/15/992437415.db2.gz DHXRZDUIMSFFEB-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C2(C)CC(=C)C2)CCC1 ZINC001570116654 992442227 /nfs/dbraw/zinc/44/22/27/992442227.db2.gz HKAMBUMLZQEIDI-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C#CCN(Cc1c(C2CC2)cnn1C)CC1CC1 ZINC001261675716 992460446 /nfs/dbraw/zinc/46/04/46/992460446.db2.gz KYKTWKJFAIETNW-UHFFFAOYSA-N 1 0 243.354 2.143 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)/C(C)=C\C ZINC001570456723 992470539 /nfs/dbraw/zinc/47/05/39/992470539.db2.gz XVNNUWQXYHIJEA-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[C@H](C)[NH2+]CC ZINC001570467138 992472860 /nfs/dbraw/zinc/47/28/60/992472860.db2.gz UYVJITTWTJQSJZ-WCQYABFASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)C[C@H]1CCCN1C(C)=O ZINC001570522136 992476230 /nfs/dbraw/zinc/47/62/30/992476230.db2.gz QEPTYDIHSXNNCA-GXTWGEPZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[NH2+]CC1CC(NC(=O)C=C(C)C)C1 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C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001570640791 992492383 /nfs/dbraw/zinc/49/23/83/992492383.db2.gz GESNMWGZWIOPRQ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](CCN(C)C(=O)CC)C(C)C ZINC001570770462 992519512 /nfs/dbraw/zinc/51/95/12/992519512.db2.gz FVASDOFEBRJHLL-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@H](CCNC(=O)C1(C)CC1)C(C)C ZINC001571349610 992538984 /nfs/dbraw/zinc/53/89/84/992538984.db2.gz VWQGXLYAOMVBIS-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)CC ZINC001571400038 992549806 /nfs/dbraw/zinc/54/98/06/992549806.db2.gz CRCXFPPOZRXFPA-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CCC1(C)CC1 ZINC001571412070 992552962 /nfs/dbraw/zinc/55/29/62/992552962.db2.gz RNTUQVJHDLYZDY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC001571469318 992562541 /nfs/dbraw/zinc/56/25/41/992562541.db2.gz OJKQJLPMVNTZAP-STQMWFEESA-N 1 0 238.375 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HXYAKIBZEUTQMU-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC)C1 ZINC001571542947 992571218 /nfs/dbraw/zinc/57/12/18/992571218.db2.gz VLQHFJAXVWNEEH-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC1(OC)CCC1 ZINC001262010648 992595154 /nfs/dbraw/zinc/59/51/54/992595154.db2.gz LDETXHMUIRPYHP-OLZOCXBDSA-N 1 0 239.359 2.126 20 30 BEEDRO CC(=[NH+]N[C@H]1CCCSC1)c1ccc(N)cc1 ZINC001262040648 992627601 /nfs/dbraw/zinc/62/76/01/992627601.db2.gz YJSPYDSNXHUOBW-ZDUSSCGKSA-N 1 0 249.383 2.478 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001262263982 992826798 /nfs/dbraw/zinc/82/67/98/992826798.db2.gz FXOVOVLQCIZXIK-ILWJIGKKSA-N 1 0 201.260 2.396 20 30 BEEDRO N#CC1(C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC001262335462 992842048 /nfs/dbraw/zinc/84/20/48/992842048.db2.gz CECVEXIXMDPISB-KGLIPLIRSA-N 1 0 248.370 2.429 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(OC)ccn1 ZINC001262336162 992843135 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992941154 /nfs/dbraw/zinc/94/11/54/992941154.db2.gz CMVPLMUBAPTIGL-GFCCVEGCSA-N 1 0 247.342 2.266 20 30 BEEDRO C=CCCCCCN[C@@H](C[NH3+])C(F)(F)F ZINC001574907419 992942354 /nfs/dbraw/zinc/94/23/54/992942354.db2.gz LOIHOXXEDUHINH-VIFPVBQESA-N 1 0 224.270 2.212 20 30 BEEDRO C=CCOCCN1c2ccccc2[C@@H]([NH3+])C1(C)C ZINC001574943154 992944388 /nfs/dbraw/zinc/94/43/88/992944388.db2.gz AMLKHVMJCATEOK-CQSZACIVSA-N 1 0 246.354 2.488 20 30 BEEDRO CC#CC[C@@H]([NH3+])C(=O)N[C@@H](C)CCCC(C)C ZINC001574963445 992949589 /nfs/dbraw/zinc/94/95/89/992949589.db2.gz UQLSTYMMFWOCLY-QWHCGFSZSA-N 1 0 238.375 2.058 20 30 BEEDRO CC#CC[C@@H]([NH3+])C(=O)N(CC)c1ccccc1C ZINC001574963461 992954951 /nfs/dbraw/zinc/95/49/51/992954951.db2.gz UVRHNCIJXCXBLG-CYBMUJFWSA-N 1 0 244.338 2.089 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C[NH2+]C(C)(C)C ZINC001262655027 993008145 /nfs/dbraw/zinc/00/81/45/993008145.db2.gz ZLZFDPGBUZNINJ-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO Cc1cc(F)cc(N2CCC(C#N)CC2)n1 ZINC001262681354 993021080 /nfs/dbraw/zinc/02/10/80/993021080.db2.gz KAVPEZPMJGAGTR-UHFFFAOYSA-N 1 0 219.263 2.269 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001263108212 993118351 /nfs/dbraw/zinc/11/83/51/993118351.db2.gz RAXJVSFWGGAUSU-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCCCCC1CC1 ZINC001263174494 993149325 /nfs/dbraw/zinc/14/93/25/993149325.db2.gz BBTRHUJGMOIIAM-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001263181129 993152284 /nfs/dbraw/zinc/15/22/84/993152284.db2.gz DVZHLRZKMSBKGR-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1(CCCC)CC1 ZINC001263246587 993185157 /nfs/dbraw/zinc/18/51/57/993185157.db2.gz VRAVCMYTMQOEEW-JTQLQIEISA-N 1 0 244.766 2.295 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1CCC ZINC001263269150 993185518 /nfs/dbraw/zinc/18/55/18/993185518.db2.gz MMWSWHFJKUMOHW-QWHCGFSZSA-N 1 0 238.375 2.461 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1csc(C#N)c1 ZINC001576117730 993185825 /nfs/dbraw/zinc/18/58/25/993185825.db2.gz UGPDOWOMTIFCCW-MFKMUULPSA-N 1 0 249.383 2.321 20 30 BEEDRO C#C[C@@H](Oc1cc[nH+]c(N)c1)c1ccccc1 ZINC000378658063 993196793 /nfs/dbraw/zinc/19/67/93/993196793.db2.gz DMPPZNJBXWEUMU-CYBMUJFWSA-N 1 0 224.263 2.247 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H]1CCC ZINC001263269148 993199457 /nfs/dbraw/zinc/19/94/57/993199457.db2.gz MMWSWHFJKUMOHW-CHWSQXEVSA-N 1 0 238.375 2.461 20 30 BEEDRO C=CCCCC(=O)NCC[C@H]1CCC[NH2+]CC1 ZINC001263329166 993230264 /nfs/dbraw/zinc/23/02/64/993230264.db2.gz YQTWEMISOUVKTC-ZDUSSCGKSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001263323165 993231416 /nfs/dbraw/zinc/23/14/16/993231416.db2.gz IIMQCXXIEOIDMZ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C)s1 ZINC000379582438 993257605 /nfs/dbraw/zinc/25/76/05/993257605.db2.gz LUYVDIKZRDSNOM-JTQLQIEISA-N 1 0 211.330 2.347 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000379602520 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ZINC000382504807 993461471 /nfs/dbraw/zinc/46/14/71/993461471.db2.gz UTKUJCNFRVZXFO-JTQLQIEISA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(CC)C(=O)NCc1ccccc1C[NH+](C)C ZINC001263720286 993474706 /nfs/dbraw/zinc/47/47/06/993474706.db2.gz ILYWZEYOZXDCLR-UHFFFAOYSA-N 1 0 246.354 2.331 20 30 BEEDRO C=C(CC)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001263728214 993480175 /nfs/dbraw/zinc/48/01/75/993480175.db2.gz KRCLFHLVGYTAFA-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC001263754219 993489769 /nfs/dbraw/zinc/48/97/69/993489769.db2.gz HNFSBZUOGCHZLL-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1C[C@@H]([NH2+]C(C)C)C1 ZINC001263842499 993547442 /nfs/dbraw/zinc/54/74/42/993547442.db2.gz VFFMVLXFIWLXGZ-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C/C=C(/C)C=C)C1 ZINC001263840680 993548543 /nfs/dbraw/zinc/54/85/43/993548543.db2.gz OIUBTWNUIDIBFM-ITRSLCTRSA-N 1 0 248.370 2.179 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC001263867781 993565345 /nfs/dbraw/zinc/56/53/45/993565345.db2.gz KQUDRLFKATVLPF-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001263870230 993566789 /nfs/dbraw/zinc/56/67/89/993566789.db2.gz QKRBLJFFURWIFX-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC(C)C ZINC001264359874 993717789 /nfs/dbraw/zinc/71/77/89/993717789.db2.gz SXBVYWUZKUKCGW-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H]1CCCC(C)(C)C1 ZINC000390499280 993792224 /nfs/dbraw/zinc/79/22/24/993792224.db2.gz TYSHIHUJGFQKRT-QWHCGFSZSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C(C)C ZINC001265080010 993812568 /nfs/dbraw/zinc/81/25/68/993812568.db2.gz NFNFSFRMEHLQLL-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CCC)C1 ZINC001265301349 993838903 /nfs/dbraw/zinc/83/89/03/993838903.db2.gz IUOYYXAUIGJHBY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)[C@H](C)CCC)C1CC1 ZINC001265350793 993843753 /nfs/dbraw/zinc/84/37/53/993843753.db2.gz XWGZUQCSMCZIHA-DGCLKSJQSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]([NH2+]CC)C1CC1 ZINC001265365531 993846639 /nfs/dbraw/zinc/84/66/39/993846639.db2.gz ARGKMDJAYAPCHK-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1ccc(CN(C)[C@@H]2CC[N@H+](C)C2)cc1C#N ZINC000700716596 993849705 /nfs/dbraw/zinc/84/97/05/993849705.db2.gz AMQKWBSRTRUVFP-OAHLLOKOSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)C(C)C ZINC000393096625 993901906 /nfs/dbraw/zinc/90/19/06/993901906.db2.gz OXXBYWGTXRNIOX-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H](C)C1CC1 ZINC001265762920 993933985 /nfs/dbraw/zinc/93/39/85/993933985.db2.gz DTHHQGSDYBYZJP-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001265808975 993949314 /nfs/dbraw/zinc/94/93/14/993949314.db2.gz OTRYSSALFXIKAV-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccccc1)C(C)(C)C ZINC000702284146 993981406 /nfs/dbraw/zinc/98/14/06/993981406.db2.gz DMFJYYRBJUXECS-UONOGXRCSA-N 1 0 231.339 2.358 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CCNC(=O)C(C)C ZINC001266127846 994042248 /nfs/dbraw/zinc/04/22/48/994042248.db2.gz OKLPWGLNHYUCQF-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CCNC(=O)C(C)C ZINC001266127847 994043532 /nfs/dbraw/zinc/04/35/32/994043532.db2.gz OKLPWGLNHYUCQF-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001266175458 994051477 /nfs/dbraw/zinc/05/14/77/994051477.db2.gz LZUWHCZRGAKGRS-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)N(C)C1CC[NH+](CC=C)CC1 ZINC001266177624 994054717 /nfs/dbraw/zinc/05/47/17/994054717.db2.gz IVIUXDLXEXNIAD-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CCCCC)C1 ZINC001266201577 994055373 /nfs/dbraw/zinc/05/53/73/994055373.db2.gz XYYHIHYXFMSZMB-ZDUSSCGKSA-N 1 0 238.375 2.333 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AOXGNNHJVGZRSZ-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)/C=C(\C)CC)C1 ZINC001316614881 994180922 /nfs/dbraw/zinc/18/09/22/994180922.db2.gz GEPQDAKVLFREJN-UUSKSKHGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)C ZINC001281852485 994182616 /nfs/dbraw/zinc/18/26/16/994182616.db2.gz OCXVUVBFIFWAEX-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)CCC(=C)C)C1 ZINC001282010761 994189251 /nfs/dbraw/zinc/18/92/51/994189251.db2.gz KZHYDHVFEYJQPM-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC(C)C ZINC001282097372 994201671 /nfs/dbraw/zinc/20/16/71/994201671.db2.gz RTZGZTDZMNSMHD-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C=C(C)C ZINC001282086435 994201686 /nfs/dbraw/zinc/20/16/86/994201686.db2.gz NQJBHIUJDVOUPR-MNOVXSKESA-N 1 0 244.766 2.188 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C\C ZINC001282112807 994205179 /nfs/dbraw/zinc/20/51/79/994205179.db2.gz NINNCXCBUHXOJC-MENMGGHXSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC001282182951 994209906 /nfs/dbraw/zinc/20/99/06/994209906.db2.gz DIENMGWGIDCCCF-RYUDHWBXSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C ZINC001282182950 994210864 /nfs/dbraw/zinc/21/08/64/994210864.db2.gz DIENMGWGIDCCCF-NWDGAFQWSA-N 1 0 226.364 2.234 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001282220577 994214527 /nfs/dbraw/zinc/21/45/27/994214527.db2.gz SFKZQTWCYYDOFS-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C1CCC1 ZINC001282346798 994220418 /nfs/dbraw/zinc/22/04/18/994220418.db2.gz WCCRAXNWZQJIOA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C1CCC1 ZINC001282346799 994225567 /nfs/dbraw/zinc/22/55/67/994225567.db2.gz WCCRAXNWZQJIOA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)/C=C(/C)CC 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C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H](F)CC ZINC001283215356 994269929 /nfs/dbraw/zinc/26/99/29/994269929.db2.gz VMLUUCRIVDUCNT-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)CC ZINC001283572258 994280799 /nfs/dbraw/zinc/28/07/99/994280799.db2.gz KWGWPLSGLVBXJG-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C ZINC001283703457 994293528 /nfs/dbraw/zinc/29/35/28/994293528.db2.gz HEPXCQDZSLSVCE-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)[C@H]1C ZINC001283859254 994312230 /nfs/dbraw/zinc/31/22/30/994312230.db2.gz CLJBHVIYNKVGCL-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CCCC)CC1(C)C ZINC001284259527 994327982 /nfs/dbraw/zinc/32/79/82/994327982.db2.gz FKIOOPVYKXJHPE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N(C)C1CC([NH2+]CCCC)C1 ZINC001284751552 994357229 /nfs/dbraw/zinc/35/72/29/994357229.db2.gz XOIDMRYREQCGLK-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1c(C)cc(C)nc1C ZINC001333022112 994412281 /nfs/dbraw/zinc/41/22/81/994412281.db2.gz JZMFFLZRLZGDPX-UHFFFAOYSA-N 1 0 246.354 2.088 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC001333597063 994479236 /nfs/dbraw/zinc/47/92/36/994479236.db2.gz SHRSVSZFNCXTGK-YPMHNXCESA-N 1 0 249.358 2.460 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001293503096 994655604 /nfs/dbraw/zinc/65/56/04/994655604.db2.gz VWRNMNJPPNCEOK-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001294989460 994726045 /nfs/dbraw/zinc/72/60/45/994726045.db2.gz VNMZFRCTLQHPLW-LLVKDONJSA-N 1 0 248.326 2.180 20 30 BEEDRO C=CCC1(C(=O)NC[C@@H](C)[NH2+]C(C)C)CCC1 ZINC001491578295 994984524 /nfs/dbraw/zinc/98/45/24/994984524.db2.gz GIHXNPJLVIWPGH-GFCCVEGCSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)CCC1(C)CC1 ZINC001491627812 994992575 /nfs/dbraw/zinc/99/25/75/994992575.db2.gz OZGFRSMUPMGGJV-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001491721352 995001705 /nfs/dbraw/zinc/00/17/05/995001705.db2.gz HXQZAICKGHXNJU-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001491824845 995006025 /nfs/dbraw/zinc/00/60/25/995006025.db2.gz AMJQDPKSLUTDIU-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001491867618 995009896 /nfs/dbraw/zinc/00/98/96/995009896.db2.gz DROCMGKQACZLOT-QWHCGFSZSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCCC(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001491992382 995016828 /nfs/dbraw/zinc/01/68/28/995016828.db2.gz SHKAXZCUIDMBRH-OFSNVTPPSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)CC(C)=C(C)C ZINC001492068838 995022609 /nfs/dbraw/zinc/02/26/09/995022609.db2.gz BLHGWDAQMJAVIA-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H]3OCCC[C@H]3C2)CC1 ZINC001336771191 995100792 /nfs/dbraw/zinc/10/07/92/995100792.db2.gz PXBAXHUUHKTISE-STQMWFEESA-N 1 0 234.343 2.181 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843426999 995115594 /nfs/dbraw/zinc/11/55/94/995115594.db2.gz QCWYORVCXSEMFX-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC001317296145 995132526 /nfs/dbraw/zinc/13/25/26/995132526.db2.gz MUKJHAKCOAKNHB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)Cc1cccs1 ZINC001307519744 995394519 /nfs/dbraw/zinc/39/45/19/995394519.db2.gz BJXKXYHDZIAMCD-GFCCVEGCSA-N 1 0 237.368 2.261 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(C#N)ccn1 ZINC001307569808 995403923 /nfs/dbraw/zinc/40/39/23/995403923.db2.gz AILQWEZPXLTVCV-QWRGUYRKSA-N 1 0 215.300 2.326 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(CC)(CO)CC1 ZINC001307589990 995412951 /nfs/dbraw/zinc/41/29/51/995412951.db2.gz JEUWREVXGSXMGF-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO CCCCCCCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC001307834302 995479862 /nfs/dbraw/zinc/47/98/62/995479862.db2.gz FARSNWZZUOLFFJ-KGLIPLIRSA-N 1 0 243.391 2.429 20 30 BEEDRO COCC#CC[N@@H+]1CCSC[C@H]1C(C)(C)C ZINC001308033667 995531974 /nfs/dbraw/zinc/53/19/74/995531974.db2.gz ITOUNRAFBKGOJD-LBPRGKRZSA-N 1 0 241.400 2.100 20 30 BEEDRO C[C@H]1Cc2n[nH]cc2C[N@@H+](CCCCC#N)C1 ZINC001308073444 995539328 /nfs/dbraw/zinc/53/93/28/995539328.db2.gz GPKFUQFSRWDATE-NSHDSACASA-N 1 0 232.331 2.098 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCC[C@@H]1O ZINC001308143871 995571139 /nfs/dbraw/zinc/57/11/39/995571139.db2.gz WQUZBTIYYVYSEM-MJBXVCDLSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)/C=C(/C)CC ZINC001498040132 1170050569 /nfs/dbraw/zinc/05/05/69/1170050569.db2.gz TZKCSJPEJLTVPN-MMRAYRKESA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CC ZINC001566929794 1170091597 /nfs/dbraw/zinc/09/15/97/1170091597.db2.gz JHEHKGPXQYFBEF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)CNC(=O)C(F)F ZINC001567947381 1170097529 /nfs/dbraw/zinc/09/75/29/1170097529.db2.gz LBUWPGKFDWVYHP-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@H](C)CC[NH+](C)C ZINC001568240082 1170100210 /nfs/dbraw/zinc/10/02/10/1170100210.db2.gz UVKARVOJRBFESZ-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)CCC ZINC001569118219 1170104119 /nfs/dbraw/zinc/10/41/19/1170104119.db2.gz AXOFWKNVHHKECS-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CCN(CC#CC)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC001615665472 1170528247 /nfs/dbraw/zinc/52/82/47/1170528247.db2.gz PKGZOPAOPJRXHG-INIZCTEOSA-N 1 0 246.398 2.208 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@@H]([NH+](CC)CC)C1 ZINC001615728609 1170531472 /nfs/dbraw/zinc/53/14/72/1170531472.db2.gz PLCKUNOPIOABIY-UONOGXRCSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)[C@H](C)[C@@H](C)O ZINC001616683410 1170561638 /nfs/dbraw/zinc/56/16/38/1170561638.db2.gz HWPYXJSZKURMCT-VXGBXAGGSA-N 1 0 223.316 2.079 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001617208037 1170583959 /nfs/dbraw/zinc/58/39/59/1170583959.db2.gz QUSSNVQDBYGDFB-GXFFZTMASA-N 1 0 215.300 2.231 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)[C@H](C)CC)C1=O ZINC001617562252 1170595090 /nfs/dbraw/zinc/59/50/90/1170595090.db2.gz PNAJGOGJUHUSAM-AGIUHOORSA-N 1 0 238.375 2.140 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1COC2(CCCCC2)O1 ZINC001618233766 1170625699 /nfs/dbraw/zinc/62/56/99/1170625699.db2.gz DJAPVYJJLYEUST-CYBMUJFWSA-N 1 0 237.343 2.017 20 30 BEEDRO C#CC[N@@H+](CC1CC(C)C1)C1CSC1 ZINC001620320562 1170662601 /nfs/dbraw/zinc/66/26/01/1170662601.db2.gz GAQIFHDQBKFEIL-UHFFFAOYSA-N 1 0 209.358 2.083 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001620647367 1170695771 /nfs/dbraw/zinc/69/57/71/1170695771.db2.gz NXIMQQIKRQCGAG-SDDRHHMPSA-N 1 0 224.373 2.364 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001620649189 1170696038 /nfs/dbraw/zinc/69/60/38/1170696038.db2.gz OFKMASOOQFAVDO-CYBMUJFWSA-N 1 0 213.284 2.104 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)CCOCC1 ZINC001621102623 1170716766 /nfs/dbraw/zinc/71/67/66/1170716766.db2.gz TVSMOIBKTVMDME-BTTYYORXSA-N 1 0 248.370 2.475 20 30 BEEDRO C#CC[N@@H+](Cc1cn(CCC)nc1C)CC1CC1 ZINC001621160395 1170728866 /nfs/dbraw/zinc/72/88/66/1170728866.db2.gz YMACMOOJIHEYRX-UHFFFAOYSA-N 1 0 245.370 2.447 20 30 BEEDRO C[C@@H](Cc1ccno1)[NH2+]Cc1ccc(C#N)s1 ZINC001621399037 1170798982 /nfs/dbraw/zinc/79/89/82/1170798982.db2.gz YKMGVDRFHWURBS-VIFPVBQESA-N 1 0 247.323 2.329 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC001621404845 1170799008 /nfs/dbraw/zinc/79/90/08/1170799008.db2.gz YTBAPSGPZBIFML-NDKCEZKHSA-N 1 0 246.354 2.226 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](CC)C(=O)OC ZINC001621416555 1170801967 /nfs/dbraw/zinc/80/19/67/1170801967.db2.gz FOXMJYGSMZSDJT-ZDUSSCGKSA-N 1 0 239.359 2.359 20 30 BEEDRO C#C[C@H](CO)[NH2+]C[C@H](C)CC1CCCCC1 ZINC001621460023 1170814869 /nfs/dbraw/zinc/81/48/69/1170814869.db2.gz AGRNPLGZEIXKAD-TZMCWYRMSA-N 1 0 223.360 2.177 20 30 BEEDRO C#C[C@@H](CO)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001621460021 1170817474 /nfs/dbraw/zinc/81/74/74/1170817474.db2.gz AGRNPLGZEIXKAD-JSGCOSHPSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001621463524 1170820691 /nfs/dbraw/zinc/82/06/91/1170820691.db2.gz BJRAZEQGUCWKCD-XUXIUFHCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CCCCC(C)C)C1 ZINC001621521598 1170833644 /nfs/dbraw/zinc/83/36/44/1170833644.db2.gz FDMMPERHESWRRN-OAHLLOKOSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCC(C)(C)C2)C1 ZINC001621522286 1170833972 /nfs/dbraw/zinc/83/39/72/1170833972.db2.gz XGLIEOAADVPDSO-UONOGXRCSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC(C)(C)C2)C1 ZINC001621522285 1170835816 /nfs/dbraw/zinc/83/58/16/1170835816.db2.gz XGLIEOAADVPDSO-KGLIPLIRSA-N 1 0 234.387 2.252 20 30 BEEDRO CC[C@@H](C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000037186461 1170934618 /nfs/dbraw/zinc/93/46/18/1170934618.db2.gz AOPMDPBXCJCIQL-LLVKDONJSA-N 1 0 218.300 2.477 20 30 BEEDRO CC(C)[NH2+]Cc1cccc(OCC#N)c1 ZINC000037509961 1170953610 /nfs/dbraw/zinc/95/36/10/1170953610.db2.gz ZYMFILOLPFZXNK-UHFFFAOYSA-N 1 0 204.273 2.087 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009830 1171004089 /nfs/dbraw/zinc/00/40/89/1171004089.db2.gz WAWLDVDCTGHMKN-STQMWFEESA-N 1 0 230.311 2.272 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001626489182 1171126948 /nfs/dbraw/zinc/12/69/48/1171126948.db2.gz IIUDDKNIKKXAQU-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)/C=C(\C)Cl ZINC001626755406 1171134966 /nfs/dbraw/zinc/13/49/66/1171134966.db2.gz YSGNMKKNJKKGQS-ZHACJKMWSA-N 1 0 244.766 2.095 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C(CC)CC)C1CC1 ZINC001627687771 1171179943 /nfs/dbraw/zinc/17/99/43/1171179943.db2.gz CUDUIXMUFDGHPD-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+]CCCCC#N ZINC000049578475 1171708508 /nfs/dbraw/zinc/70/85/08/1171708508.db2.gz YPFAIPAIYGIISK-LLVKDONJSA-N 1 0 206.289 2.494 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000186716300 136207634 /nfs/dbraw/zinc/20/76/34/136207634.db2.gz ZCTRHNSPKTUCKI-GXSJLCMTSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1CC(=O)NCC ZINC000572368503 398135641 /nfs/dbraw/zinc/13/56/41/398135641.db2.gz CEVWVUSGASBKGF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000628314130 349443769 /nfs/dbraw/zinc/44/37/69/349443769.db2.gz NPEKTEBTWCVOGO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN(CC(=O)N1CCCC[C@H]1C)C1CC1 ZINC000357552017 136210556 /nfs/dbraw/zinc/21/05/56/136210556.db2.gz JNGWPNATQHRMIA-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000085982287 136211840 /nfs/dbraw/zinc/21/18/40/136211840.db2.gz YYFZMORDBKHCST-NEPJUHHUSA-N 1 0 248.326 2.010 20 30 BEEDRO CCC(CC)(CO)[NH2+]Cc1ccc(C#N)s1 ZINC000135500771 168329844 /nfs/dbraw/zinc/32/98/44/168329844.db2.gz OOIXUUKEOLRQIT-UHFFFAOYSA-N 1 0 238.356 2.260 20 30 BEEDRO N#CCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229419 136214837 /nfs/dbraw/zinc/21/48/37/136214837.db2.gz ATEYKPQOSHDTLG-OAHLLOKOSA-N 1 0 249.402 2.488 20 30 BEEDRO C=C1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276750646 398152804 /nfs/dbraw/zinc/15/28/04/398152804.db2.gz KXSSEXPHOZFLTJ-UHFFFAOYSA-N 1 0 215.300 2.049 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000649340852 398158093 /nfs/dbraw/zinc/15/80/93/398158093.db2.gz AWJXPCIPGHRODR-XQQFMLRXSA-N 1 0 209.333 2.045 20 30 BEEDRO CCc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000424206552 398176655 /nfs/dbraw/zinc/17/66/55/398176655.db2.gz WTXRQSCUVSYDRJ-SMDDNHRTSA-N 1 0 229.327 2.426 20 30 BEEDRO C=CCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000533816732 398177784 /nfs/dbraw/zinc/17/77/84/398177784.db2.gz YYRVIGGLMCXBQQ-UHFFFAOYSA-N 1 0 236.384 2.442 20 30 BEEDRO C=CCSCC[NH2+]CC1(OC)CCCC1 ZINC000308968085 136217203 /nfs/dbraw/zinc/21/72/03/136217203.db2.gz XFQZDABRWKBPMI-UHFFFAOYSA-N 1 0 229.389 2.454 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000424290083 398179125 /nfs/dbraw/zinc/17/91/25/398179125.db2.gz BCFLODGPCASMRX-LBELIVKGSA-N 1 0 209.333 2.212 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000309075700 136217473 /nfs/dbraw/zinc/21/74/73/136217473.db2.gz KDUIOBCSTYREQR-VWYCJHECSA-N 1 0 229.389 2.043 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](CCC)C1 ZINC000649350065 398163168 /nfs/dbraw/zinc/16/31/68/398163168.db2.gz ZYYAGAVGXZPSNP-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](COC)CC(C)C ZINC000309164146 136217638 /nfs/dbraw/zinc/21/76/38/136217638.db2.gz IFJFWERJLUCXSU-NEPJUHHUSA-N 1 0 212.337 2.329 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1nnc(C)s1 ZINC000274798764 398164674 /nfs/dbraw/zinc/16/46/74/398164674.db2.gz DVOAJTBOYAYFHO-MRVPVSSYSA-N 1 0 211.334 2.463 20 30 BEEDRO N#CCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000336736724 136218604 /nfs/dbraw/zinc/21/86/04/136218604.db2.gz PPRMMPAIYPQFHY-OLZOCXBDSA-N 1 0 200.285 2.293 20 30 BEEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)(C)O ZINC000309371326 136217856 /nfs/dbraw/zinc/21/78/56/136217856.db2.gz QMCWMBNEZZFXMQ-TUAOUCFPSA-N 1 0 224.348 2.064 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000649961491 398197519 /nfs/dbraw/zinc/19/75/19/398197519.db2.gz NGULYSWQUCCHPN-STQMWFEESA-N 1 0 241.375 2.372 20 30 BEEDRO CC(C)[NH2+]C1CCN(CCCCC#N)CC1 ZINC000108370575 136219005 /nfs/dbraw/zinc/21/90/05/136219005.db2.gz CXXWGPXYZKZYNA-UHFFFAOYSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000336744560 136219597 /nfs/dbraw/zinc/21/95/97/136219597.db2.gz QFEQDRBNSJTRIB-ZDUSSCGKSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000336750136 136219797 /nfs/dbraw/zinc/21/97/97/136219797.db2.gz FPYSPBFEGZLQTR-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000335483963 398204655 /nfs/dbraw/zinc/20/46/55/398204655.db2.gz UQUVQZAIBLVNLR-MFKMUULPSA-N 1 0 240.310 2.094 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1OC ZINC000309936464 136220082 /nfs/dbraw/zinc/22/00/82/136220082.db2.gz ADZVSEXJCXZILP-LOWDOPEQSA-N 1 0 227.348 2.123 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000650000996 398213368 /nfs/dbraw/zinc/21/33/68/398213368.db2.gz OLERWUZLSNPJPX-AVGNSLFASA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647167143 398215649 /nfs/dbraw/zinc/21/56/49/398215649.db2.gz UFJUECNQMSOOOS-UHFFFAOYSA-N 1 0 231.299 2.264 20 30 BEEDRO CO[C@H]1CCCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000336756531 136220525 /nfs/dbraw/zinc/22/05/25/136220525.db2.gz HCWWHWSUXOBGLN-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO COc1ccc(CC[NH2+]CCC#N)c(Cl)c1 ZINC000258869308 349519071 /nfs/dbraw/zinc/51/90/71/349519071.db2.gz GQIOFEPLGWFZFN-UHFFFAOYSA-N 1 0 238.718 2.394 20 30 BEEDRO Cc1cc(NCC2CC[NH+](C)CC2)cc(C#N)n1 ZINC000308271479 178157969 /nfs/dbraw/zinc/15/79/69/178157969.db2.gz AAGOZVNMPOGFDR-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000380358922 398220295 /nfs/dbraw/zinc/22/02/95/398220295.db2.gz XNAFYQCSDUHMAX-RYUDHWBXSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@@H]([NH2+]CC1(CO)CCC1)c1ccc(C#N)cc1 ZINC000184533677 398221684 /nfs/dbraw/zinc/22/16/84/398221684.db2.gz AAWWEDBOZBKHIO-GFCCVEGCSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(OC)CC1 ZINC000421394293 192329971 /nfs/dbraw/zinc/32/99/71/192329971.db2.gz FZSQKUAZINEJHB-VXGBXAGGSA-N 1 0 226.364 2.203 20 30 BEEDRO CN(Cc1cc(C#N)cs1)C[C@@H]1CCC[N@@H+]1C ZINC000421405665 192330482 /nfs/dbraw/zinc/33/04/82/192330482.db2.gz GDXDYWSNYZQEPZ-LBPRGKRZSA-N 1 0 249.383 2.146 20 30 BEEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1C[C@@H](C)CCC#N ZINC000602435449 349522255 /nfs/dbraw/zinc/52/22/55/349522255.db2.gz TZTVJZUDOPNGBM-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)C[NH+]1CCN(C[C@H](C)CCC#N)CC1 ZINC000602435775 349522514 /nfs/dbraw/zinc/52/25/14/349522514.db2.gz UOKBSBAILLRVBA-CQSZACIVSA-N 1 0 237.391 2.200 20 30 BEEDRO C=CCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000631173687 361786977 /nfs/dbraw/zinc/78/69/77/361786977.db2.gz RPKFLKQJGSQOHO-UHFFFAOYSA-N 1 0 219.332 2.349 20 30 BEEDRO CC[C@@H](C)[C@@H](CN(CC)CCC#N)OC ZINC000602439011 349525416 /nfs/dbraw/zinc/52/54/16/349525416.db2.gz VLAXBESJZKUYJK-VXGBXAGGSA-N 1 0 212.337 2.283 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1C#N ZINC000335750430 398238770 /nfs/dbraw/zinc/23/87/70/398238770.db2.gz ALHLBTZZMOOLSO-OCCSQVGLSA-N 1 0 229.327 2.271 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)ccc1C#N ZINC000335775876 398238772 /nfs/dbraw/zinc/23/87/72/398238772.db2.gz DRVUPOPNDDMCMK-DOMZBBRYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1C#N ZINC000335750429 398238783 /nfs/dbraw/zinc/23/87/83/398238783.db2.gz ALHLBTZZMOOLSO-JSGCOSHPSA-N 1 0 229.327 2.271 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335801248 398241880 /nfs/dbraw/zinc/24/18/80/398241880.db2.gz WUPUUMZZKZNRPX-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000180384986 259307305 /nfs/dbraw/zinc/30/73/05/259307305.db2.gz PIPKYGXSOJKOEV-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=CC[N@@H+](CCc1cnn(CC)c1)C1CC1 ZINC000285144920 398246007 /nfs/dbraw/zinc/24/60/07/398246007.db2.gz TVEDOBLBRRQJCQ-UHFFFAOYSA-N 1 0 219.332 2.096 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2ccc(C#N)cn2)C1 ZINC000076776259 398247222 /nfs/dbraw/zinc/24/72/22/398247222.db2.gz FYWHUZNELVBOIF-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000309314335 259312143 /nfs/dbraw/zinc/31/21/43/259312143.db2.gz CQPBVTMNQMIBHH-JHJVBQTASA-N 1 0 221.344 2.500 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cncn1C ZINC000289846670 538946303 /nfs/dbraw/zinc/94/63/03/538946303.db2.gz QFTBVWAKUMBXTN-WDEREUQCSA-N 1 0 207.321 2.110 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@@H]1CCOC1 ZINC000602446030 349546405 /nfs/dbraw/zinc/54/64/05/349546405.db2.gz ZGDOPNUMMNNOKG-OLZOCXBDSA-N 1 0 224.348 2.285 20 30 BEEDRO CCOCC[N@H+](CC)C[C@@H](C)CCC#N ZINC000602450175 349550714 /nfs/dbraw/zinc/55/07/14/349550714.db2.gz ITVWIVWBKIUPHE-LBPRGKRZSA-N 1 0 212.337 2.285 20 30 BEEDRO CCC[C@@H](C[N@H+](CCC#N)C(C)C)OC ZINC000602450484 349551746 /nfs/dbraw/zinc/55/17/46/349551746.db2.gz WRDOQOVCYQRANT-LBPRGKRZSA-N 1 0 212.337 2.426 20 30 BEEDRO CCC[C@H](C[N@H+](CCC#N)CC1CC1)OC ZINC000602462296 349556227 /nfs/dbraw/zinc/55/62/27/349556227.db2.gz LXWGAHGLIAECMZ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000602464181 349557170 /nfs/dbraw/zinc/55/71/70/349557170.db2.gz KUYJCSFUJMWLKK-STQMWFEESA-N 1 0 224.348 2.021 20 30 BEEDRO COc1ccc(C(C)(C)C[NH2+]CCC#N)cc1 ZINC000259004454 349543076 /nfs/dbraw/zinc/54/30/76/349543076.db2.gz ZLEDZHWYPAHQBO-UHFFFAOYSA-N 1 0 232.327 2.476 20 30 BEEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602475953 349563408 /nfs/dbraw/zinc/56/34/08/349563408.db2.gz UWKZCFQOHJDORC-AVGNSLFASA-N 1 0 224.348 2.162 20 30 BEEDRO CCN1C[C@H](C)[N@H+](C[C@H](C)CCC#N)C[C@H]1C ZINC000602477290 349564313 /nfs/dbraw/zinc/56/43/13/349564313.db2.gz JIMOHFRLGYBBBB-MCIONIFRSA-N 1 0 237.391 2.341 20 30 BEEDRO CO[C@](C)(C[N@H+](C[C@@H](C)C#N)C1CC1)C1CC1 ZINC000602486068 349568490 /nfs/dbraw/zinc/56/84/90/349568490.db2.gz RZQHUQCNRAENJS-SMDDNHRTSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H](C#N)CN(Cc1cccc(C#N)n1)C1CC1 ZINC000602488059 349568833 /nfs/dbraw/zinc/56/88/33/349568833.db2.gz ZFXSEUFVTUZSQD-NSHDSACASA-N 1 0 240.310 2.077 20 30 BEEDRO CC(C)OCCC[NH2+]C[C@H](C)CCC#N ZINC000602499617 349559688 /nfs/dbraw/zinc/55/96/88/349559688.db2.gz RHUKEHLSCCZOIK-GFCCVEGCSA-N 1 0 212.337 2.331 20 30 BEEDRO CSCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602499227 349559903 /nfs/dbraw/zinc/55/99/03/349559903.db2.gz PQRZCXOTQKVCLS-LLVKDONJSA-N 1 0 242.388 2.038 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000602520673 349574928 /nfs/dbraw/zinc/57/49/28/349574928.db2.gz HMARBPMKPLFORN-WXRRBKDZSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](C)CCC#N)no1 ZINC000602522779 349575943 /nfs/dbraw/zinc/57/59/43/349575943.db2.gz WUKUNIQWHUZUSC-VIFPVBQESA-N 1 0 207.277 2.013 20 30 BEEDRO Cc1cc(C[NH2+]C2CCC(C#N)CC2)no1 ZINC000602522267 349576048 /nfs/dbraw/zinc/57/60/48/349576048.db2.gz SYFVMBQEXXTSMN-UHFFFAOYSA-N 1 0 219.288 2.155 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1nccs1 ZINC000602523034 349576928 /nfs/dbraw/zinc/57/69/28/349576928.db2.gz XSDDFVQGZCMTSF-VIFPVBQESA-N 1 0 209.318 2.173 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H](C)C1CC1 ZINC000602504138 349581162 /nfs/dbraw/zinc/58/11/62/349581162.db2.gz SUVFLHBZOXQFBG-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602508356 349583398 /nfs/dbraw/zinc/58/33/98/349583398.db2.gz BINXMKCCGSBOSY-STQMWFEESA-N 1 0 248.374 2.357 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000602507957 349583540 /nfs/dbraw/zinc/58/35/40/349583540.db2.gz JWIFCGXPPZZKKJ-LBPRGKRZSA-N 1 0 246.358 2.177 20 30 BEEDRO Cc1nccn1C[C@@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602508351 349583560 /nfs/dbraw/zinc/58/35/60/349583560.db2.gz BINXMKCCGSBOSY-OLZOCXBDSA-N 1 0 248.374 2.357 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000602510670 349584868 /nfs/dbraw/zinc/58/48/68/349584868.db2.gz LLMCAPDKLFZXHR-AAEUAGOBSA-N 1 0 246.358 2.327 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000602510674 349585395 /nfs/dbraw/zinc/58/53/95/349585395.db2.gz LLMCAPDKLFZXHR-YPMHNXCESA-N 1 0 246.358 2.327 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C[C@@H]1C[C@@H]1C ZINC000602513855 349585929 /nfs/dbraw/zinc/58/59/29/349585929.db2.gz FJYVCFODCBXZRL-XQQFMLRXSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000602513746 349585975 /nfs/dbraw/zinc/58/59/75/349585975.db2.gz HZUBSLOPYBZKFL-RDBSUJKOSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000602544415 349588866 /nfs/dbraw/zinc/58/88/66/349588866.db2.gz AXZHBDYGTIRECP-HIFRSBDPSA-N 1 0 246.354 2.424 20 30 BEEDRO C=CCSCC[NH2+]CCC[C@@H]1CCO1 ZINC000602545255 349588900 /nfs/dbraw/zinc/58/89/00/349588900.db2.gz OTNMYQLXYUKHLU-LLVKDONJSA-N 1 0 215.362 2.064 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000602544414 349588913 /nfs/dbraw/zinc/58/89/13/349588913.db2.gz AXZHBDYGTIRECP-DZGCQCFKSA-N 1 0 246.354 2.424 20 30 BEEDRO N#CC1CCC([NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000602545639 349589494 /nfs/dbraw/zinc/58/94/94/349589494.db2.gz HQJLCIZUMGNGRG-ZALBZXLWSA-N 1 0 244.338 2.392 20 30 BEEDRO CCOCCCC[NH2+]C[C@@H](C)CCC#N ZINC000602519493 349573902 /nfs/dbraw/zinc/57/39/02/349573902.db2.gz GHMVBZKUFMKQOR-LBPRGKRZSA-N 1 0 212.337 2.333 20 30 BEEDRO CC[C@@H](C)N(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602533569 349601158 /nfs/dbraw/zinc/60/11/58/349601158.db2.gz OLCUATFXFIWVQJ-CHWSQXEVSA-N 1 0 225.380 2.246 20 30 BEEDRO CC[C@@H](C)N(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602533571 349601217 /nfs/dbraw/zinc/60/12/17/349601217.db2.gz OLCUATFXFIWVQJ-QWHCGFSZSA-N 1 0 225.380 2.246 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602549651 349591458 /nfs/dbraw/zinc/59/14/58/349591458.db2.gz JFLMZRUBCVIYAO-WDEREUQCSA-N 1 0 234.347 2.319 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]C[C@H](C)CCC#N ZINC000602552021 349593811 /nfs/dbraw/zinc/59/38/11/349593811.db2.gz RLRRQBYDOUODQW-VXGBXAGGSA-N 1 0 212.337 2.067 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]C[C@H](C)CCC#N ZINC000602552234 349593882 /nfs/dbraw/zinc/59/38/82/349593882.db2.gz HNEYCZNLMZBMSE-DGCLKSJQSA-N 1 0 226.364 2.313 20 30 BEEDRO Cc1ccc(CC[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602553902 349595408 /nfs/dbraw/zinc/59/54/08/349595408.db2.gz XTGRKMFTQRFEQK-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO C=CCSCC[NH2+]Cc1oc(C)nc1C ZINC000600133581 342687497 /nfs/dbraw/zinc/68/74/97/342687497.db2.gz WHPRGGCOUNYZLL-UHFFFAOYSA-N 1 0 226.345 2.300 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000602578224 349606937 /nfs/dbraw/zinc/60/69/37/349606937.db2.gz LTESXQZPEDUMMP-IJLUTSLNSA-N 1 0 224.348 2.472 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602583725 349610940 /nfs/dbraw/zinc/61/09/40/349610940.db2.gz SBPUREWWWPUIQF-FRRDWIJNSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1ncsc1C[NH2+]C[C@H](C)CCC#N ZINC000602540854 349605273 /nfs/dbraw/zinc/60/52/73/349605273.db2.gz WTZZPNHVCKGCOY-SECBINFHSA-N 1 0 223.345 2.481 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN(C)C1CCCC1 ZINC000602540400 349605362 /nfs/dbraw/zinc/60/53/62/349605362.db2.gz OCFRGPXSXWXKLH-ZDUSSCGKSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCC#N ZINC000602540644 349605519 /nfs/dbraw/zinc/60/55/19/349605519.db2.gz MLJDZMZUKMJXSL-ZDUSSCGKSA-N 1 0 249.358 2.369 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)C[C@]1(C)CCCS1 ZINC000600112935 342671407 /nfs/dbraw/zinc/67/14/07/342671407.db2.gz OQFMXOURXXERBV-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@]1(C[NH2+]CC2(C#N)CC2)CCCS1 ZINC000600153598 342691830 /nfs/dbraw/zinc/69/18/30/342691830.db2.gz NKOZHCLAMURANE-JTQLQIEISA-N 1 0 210.346 2.165 20 30 BEEDRO Cc1nc(C)c(C[NH2+]CC(C)(C)CC#N)o1 ZINC000600165790 342694106 /nfs/dbraw/zinc/69/41/06/342694106.db2.gz TXNXLEOVRRTAOJ-UHFFFAOYSA-N 1 0 221.304 2.321 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c[nH]c(C(=O)OC)c2)C1 ZINC000600187375 342697695 /nfs/dbraw/zinc/69/76/95/342697695.db2.gz XUNMYSIKLZWNIU-LLVKDONJSA-N 1 0 248.326 2.199 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)CC1(C)COC1 ZINC000600188727 342698473 /nfs/dbraw/zinc/69/84/73/342698473.db2.gz DLOHDLJSZNFPBL-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)C(C)(C)C ZINC000309577133 259316977 /nfs/dbraw/zinc/31/69/77/259316977.db2.gz PFHYHIOKAYBCLF-AGIUHOORSA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@H](CC#N)N(C)C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000602591099 349614811 /nfs/dbraw/zinc/61/48/11/349614811.db2.gz FKTKBLVGPDTREQ-MNOVXSKESA-N 1 0 245.326 2.080 20 30 BEEDRO COc1cc(C)c(C[NH2+]CCCCC#N)c(C)n1 ZINC000358988409 536575027 /nfs/dbraw/zinc/57/50/27/536575027.db2.gz WTHLJZKAOIQDGM-UHFFFAOYSA-N 1 0 247.342 2.491 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCNc1ccccn1 ZINC000602593050 349615806 /nfs/dbraw/zinc/61/58/06/349615806.db2.gz GZNNOSALQITHGU-GFCCVEGCSA-N 1 0 232.331 2.023 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000348689660 136236627 /nfs/dbraw/zinc/23/66/27/136236627.db2.gz XDTUIZKPDMKCJF-LMWSTFAQSA-N 1 0 238.375 2.378 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000309594812 342729759 /nfs/dbraw/zinc/72/97/59/342729759.db2.gz VWEFHPLAINLKLO-WDEREUQCSA-N 1 0 217.316 2.477 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000309594811 342729763 /nfs/dbraw/zinc/72/97/63/342729763.db2.gz VWEFHPLAINLKLO-QWRGUYRKSA-N 1 0 217.316 2.477 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602564074 349616548 /nfs/dbraw/zinc/61/65/48/349616548.db2.gz LDKGNATTYTVXNC-WTIISPKJSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000629987142 361875185 /nfs/dbraw/zinc/87/51/85/361875185.db2.gz IIUZMQUPZWEFAF-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccoc1 ZINC000320774548 342739600 /nfs/dbraw/zinc/73/96/00/342739600.db2.gz QKGXDBXHFJQUJW-JQWIXIFHSA-N 1 0 209.289 2.257 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCN(CC3CC3)C2)C1 ZINC000613254413 361859452 /nfs/dbraw/zinc/85/94/52/361859452.db2.gz JBUXVLPICHJWBA-QLFBSQMISA-N 1 0 247.386 2.143 20 30 BEEDRO COCCC1(C[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602566885 349618659 /nfs/dbraw/zinc/61/86/59/349618659.db2.gz CFQQEMTVLMZXQD-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000183801291 538967493 /nfs/dbraw/zinc/96/74/93/538967493.db2.gz SFAYMNJVUIKIEK-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](CO)c1ccccc1 ZINC000602564885 349617037 /nfs/dbraw/zinc/61/70/37/349617037.db2.gz WBWCNKSGEYBBRZ-DZGCQCFKSA-N 1 0 246.354 2.292 20 30 BEEDRO CCCN(CC)CC[NH2+]C[C@H](C)CCC#N ZINC000602564289 349617062 /nfs/dbraw/zinc/61/70/62/349617062.db2.gz KQVQSDCQUFSFGP-CYBMUJFWSA-N 1 0 225.380 2.248 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000602565625 349617797 /nfs/dbraw/zinc/61/77/97/349617797.db2.gz QNINPTMXVHWRSU-TZMCWYRMSA-N 1 0 235.375 2.000 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602565302 349617977 /nfs/dbraw/zinc/61/79/77/349617977.db2.gz AGURGEUYQGKWIQ-NWDGAFQWSA-N 1 0 212.337 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000602571832 349621654 /nfs/dbraw/zinc/62/16/54/349621654.db2.gz OYOVQSDTPWKLHS-JQWIXIFHSA-N 1 0 232.331 2.317 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000602567744 349619570 /nfs/dbraw/zinc/61/95/70/349619570.db2.gz INCGYQQYOSDZLZ-AGIUHOORSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCCC[C@@H]1O ZINC000602570532 349620707 /nfs/dbraw/zinc/62/07/07/349620707.db2.gz BUGHBBWXWVVSGO-RDBSUJKOSA-N 1 0 238.375 2.457 20 30 BEEDRO CS[C@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602573260 349623322 /nfs/dbraw/zinc/62/33/22/349623322.db2.gz ZVRPOUJDRIWEHY-VHSXEESVSA-N 1 0 200.351 2.267 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC(F)(F)C2)n1 ZINC000602576012 349624958 /nfs/dbraw/zinc/62/49/58/349624958.db2.gz KQEPOLDZZUXLIM-VIFPVBQESA-N 1 0 237.253 2.231 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)CC(C)(C)C ZINC000602575221 349623791 /nfs/dbraw/zinc/62/37/91/349623791.db2.gz PCZWCQBUXXYTBD-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000602574540 349623828 /nfs/dbraw/zinc/62/38/28/349623828.db2.gz AYVRKOTUMKEQDB-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](CCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602574468 349624087 /nfs/dbraw/zinc/62/40/87/349624087.db2.gz VQYVEKQNZZHBPW-PNESKVBLSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000602575016 349624119 /nfs/dbraw/zinc/62/41/19/349624119.db2.gz FGMGNYYHNPNXOA-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000602574541 349624273 /nfs/dbraw/zinc/62/42/73/349624273.db2.gz AYVRKOTUMKEQDB-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](C)C(C)(C)C ZINC000380269514 538987891 /nfs/dbraw/zinc/98/78/91/538987891.db2.gz VLRAVXYCDFJYRQ-VXGBXAGGSA-N 1 0 213.365 2.443 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@H](C)C(C)(C)C ZINC000380269510 538987994 /nfs/dbraw/zinc/98/79/94/538987994.db2.gz VLRAVXYCDFJYRQ-RYUDHWBXSA-N 1 0 213.365 2.443 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000380320461 538989416 /nfs/dbraw/zinc/98/94/16/538989416.db2.gz KFYYPPFGLURDQC-YNEHKIRRSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000380364292 538989746 /nfs/dbraw/zinc/98/97/46/538989746.db2.gz ZYQRHOOPJKMXQY-RYUDHWBXSA-N 1 0 229.389 2.309 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H](CO)C2CC2)CC1 ZINC000449334322 398293722 /nfs/dbraw/zinc/29/37/22/398293722.db2.gz IWGKNPBTLZJNSX-HSBZDZAISA-N 1 0 236.359 2.067 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000335623750 136240371 /nfs/dbraw/zinc/24/03/71/136240371.db2.gz LDRLLTDBPGYNKN-YPMHNXCESA-N 1 0 220.316 2.005 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCCCC1(C)C ZINC000379962604 538982837 /nfs/dbraw/zinc/98/28/37/538982837.db2.gz XMIWJHBJCVVHPL-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)CC[NH3+] ZINC000418520317 192047118 /nfs/dbraw/zinc/04/71/18/192047118.db2.gz HDEDOTHSSUSXDE-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO COCC#CC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000381744496 539006305 /nfs/dbraw/zinc/00/63/05/539006305.db2.gz PSMFJEUZIPOCKA-KBPBESRZSA-N 1 0 223.360 2.441 20 30 BEEDRO CC(C)[C@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602605445 349627350 /nfs/dbraw/zinc/62/73/50/349627350.db2.gz QYJMLVCAGIFUTK-CHWSQXEVSA-N 1 0 224.348 2.283 20 30 BEEDRO COCC#CC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000381744501 539006525 /nfs/dbraw/zinc/00/65/25/539006525.db2.gz PSMFJEUZIPOCKA-KGLIPLIRSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000381229199 538996492 /nfs/dbraw/zinc/99/64/92/538996492.db2.gz KMYJCHBWWWCVOS-CMPLNLGQSA-N 1 0 219.332 2.475 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000602606684 349629027 /nfs/dbraw/zinc/62/90/27/349629027.db2.gz CPMPRJMGKQHXCN-KBPBESRZSA-N 1 0 243.354 2.262 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCN(C)C1)C1CC1 ZINC000390576668 539026448 /nfs/dbraw/zinc/02/64/48/539026448.db2.gz WCHKUYLIDNWZAT-ZIAGYGMSSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@]1(C)CCCOC1 ZINC000602605843 349628095 /nfs/dbraw/zinc/62/80/95/349628095.db2.gz SWMISMZQBPJYII-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCCCCNc1cc(CC)ncn1 ZINC000389678121 539017322 /nfs/dbraw/zinc/01/73/22/539017322.db2.gz DBPMBRLMJLCIOK-UHFFFAOYSA-N 1 0 205.305 2.229 20 30 BEEDRO C[C@H](C#N)C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000602606686 349628755 /nfs/dbraw/zinc/62/87/55/349628755.db2.gz CPMPRJMGKQHXCN-KGLIPLIRSA-N 1 0 243.354 2.262 20 30 BEEDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602607511 349629676 /nfs/dbraw/zinc/62/96/76/349629676.db2.gz LVMADYOZFTZIOU-YNEHKIRRSA-N 1 0 244.342 2.153 20 30 BEEDRO CC(C)(C#N)C[NH2+]C1CCC(C#N)CC1 ZINC000602608176 349630751 /nfs/dbraw/zinc/63/07/51/349630751.db2.gz QKNJQMHHKOLMAU-UHFFFAOYSA-N 1 0 205.305 2.208 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000602606729 349629211 /nfs/dbraw/zinc/62/92/11/349629211.db2.gz GIFJNXKTWOEOTL-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CC1(F)F ZINC000602608666 349631775 /nfs/dbraw/zinc/63/17/75/349631775.db2.gz VLTJFMJSJLMZKO-YUMQZZPRSA-N 1 0 202.248 2.169 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C#N)c1 ZINC000417405573 398307040 /nfs/dbraw/zinc/30/70/40/398307040.db2.gz QDXYODSXSHBSEN-HONMWMINSA-N 1 0 230.311 2.122 20 30 BEEDRO CO[C@H](C[NH2+]C[C@@H](C)C#N)C1CCCCC1 ZINC000602608645 349632078 /nfs/dbraw/zinc/63/20/78/349632078.db2.gz UXEWTBCJGCZRII-WCQYABFASA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1c[nH]nc1C ZINC000134584454 342871199 /nfs/dbraw/zinc/87/11/99/342871199.db2.gz CYLNPTCVYFNBGK-SECBINFHSA-N 1 0 225.361 2.288 20 30 BEEDRO C#CCN(CC=C)Cc1cccc(C#N)c1 ZINC000063300902 342857741 /nfs/dbraw/zinc/85/77/41/342857741.db2.gz HADZRBLPCSOGQG-UHFFFAOYSA-N 1 0 210.280 2.179 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CCC[C@](C)(C#N)C1)OC ZINC000602611095 349634957 /nfs/dbraw/zinc/63/49/57/349634957.db2.gz VNCDOCGHJWSKMA-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CC[C@H](O)CC1 ZINC000275775635 398312709 /nfs/dbraw/zinc/31/27/09/398312709.db2.gz BLWQMXNSUBUFHH-SHTZXODSSA-N 1 0 244.338 2.294 20 30 BEEDRO CC1(C#N)CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000602609881 349633700 /nfs/dbraw/zinc/63/37/00/349633700.db2.gz YEOMSOSUIISJOE-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCCOC1 ZINC000602609856 349633832 /nfs/dbraw/zinc/63/38/32/349633832.db2.gz XSJGOXARXZYKLY-ZIHBUVQPSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)CNc1cc(N(C)C)cc[nH+]1 ZINC000602612085 349635508 /nfs/dbraw/zinc/63/55/08/349635508.db2.gz YZHPZIQQWIRQGJ-NSHDSACASA-N 1 0 232.331 2.499 20 30 BEEDRO CCCCNC(=[NH2+])NCCCOc1ccccc1 ZINC000104158234 398323811 /nfs/dbraw/zinc/32/38/11/398323811.db2.gz PBTGKWFGGJJEFE-UHFFFAOYSA-N 1 0 249.358 2.160 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(F)c(C)c1 ZINC000104158783 398323901 /nfs/dbraw/zinc/32/39/01/398323901.db2.gz IGIWDIDWSNAJEL-UHFFFAOYSA-N 1 0 237.322 2.291 20 30 BEEDRO CCC(CC)(CCO)[NH2+]CCCSCC#N ZINC000336739774 534926990 /nfs/dbraw/zinc/92/69/90/534926990.db2.gz PKZSJDLIWYUQGZ-UHFFFAOYSA-N 1 0 244.404 2.164 20 30 BEEDRO CC[C@@]1(CO)CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602622686 349641276 /nfs/dbraw/zinc/64/12/76/349641276.db2.gz CNGIYDXYEMIQLL-ZIAGYGMSSA-N 1 0 238.375 2.411 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000602622546 349641304 /nfs/dbraw/zinc/64/13/04/349641304.db2.gz AAUPBBDTIKTZAJ-YIOUJQMASA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000228795499 398327062 /nfs/dbraw/zinc/32/70/62/398327062.db2.gz VFHQMBDQRXXMML-AAEUAGOBSA-N 1 0 244.342 2.156 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C1CCC(O)CC1 ZINC000602623252 349642390 /nfs/dbraw/zinc/64/23/90/349642390.db2.gz XDCXEWRTNOCTKH-UHFFFAOYSA-N 1 0 248.301 2.090 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000602625072 349642911 /nfs/dbraw/zinc/64/29/11/349642911.db2.gz CSMUYWWFJGAXHV-YIYPIFLZSA-N 1 0 238.375 2.408 20 30 BEEDRO Cc1nnc(C[NH2+]C2CCC(C#N)CC2)s1 ZINC000602598633 349645141 /nfs/dbraw/zinc/64/51/41/349645141.db2.gz YMSPXRBPCXWPOX-UHFFFAOYSA-N 1 0 236.344 2.019 20 30 BEEDRO C[C@]1([NH2+]C2CCC(C#N)CC2)CCCOC1 ZINC000602600221 349645608 /nfs/dbraw/zinc/64/56/08/349645608.db2.gz GYULBGNJAVUPGT-BPCQOVAHSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351619025 136248183 /nfs/dbraw/zinc/24/81/83/136248183.db2.gz IYACWDNMAVEUMW-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CC#CCN(C)Cc1cnc(OC)c(Cl)c1 ZINC000559459556 398328844 /nfs/dbraw/zinc/32/88/44/398328844.db2.gz VKZZHYWBSOGOMF-UHFFFAOYSA-N 1 0 238.718 2.199 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000602651123 349659624 /nfs/dbraw/zinc/65/96/24/349659624.db2.gz FXHVCPDFKVOAPW-ZJUUUORDSA-N 1 0 232.274 2.240 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164532469 398328966 /nfs/dbraw/zinc/32/89/66/398328966.db2.gz SPTVUMBAFDNMKU-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000495198027 529441873 /nfs/dbraw/zinc/44/18/73/529441873.db2.gz ZSOZGWYQPVTEMQ-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO COCC1([NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602653080 349660148 /nfs/dbraw/zinc/66/01/48/349660148.db2.gz MDXOJHYSFNUXAG-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000602640727 349653828 /nfs/dbraw/zinc/65/38/28/349653828.db2.gz YZPBKPPYOQAOIO-YPMHNXCESA-N 1 0 244.338 2.389 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000602642794 349655239 /nfs/dbraw/zinc/65/52/39/349655239.db2.gz NPZQAFXFFBMFPI-UHFFFAOYSA-N 1 0 231.299 2.335 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](C)N(CC)C[C@@H]1C ZINC000351722589 136249633 /nfs/dbraw/zinc/24/96/33/136249633.db2.gz VURDPXFWFLULIP-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000602644472 349657010 /nfs/dbraw/zinc/65/70/10/349657010.db2.gz XZFWNDXICMXUDO-GRYCIOLGSA-N 1 0 204.317 2.316 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602647278 349657592 /nfs/dbraw/zinc/65/75/92/349657592.db2.gz ZDVGTKIMUSBOIR-MCIONIFRSA-N 1 0 236.359 2.497 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)CCC#N ZINC000602647280 349657645 /nfs/dbraw/zinc/65/76/45/349657645.db2.gz ZDVGTKIMUSBOIR-RDBSUJKOSA-N 1 0 236.359 2.497 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CCCC1(C)C ZINC000602675419 349668298 /nfs/dbraw/zinc/66/82/98/349668298.db2.gz KRSHDMHARVTGTQ-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CC(C)(C)C#N ZINC000602676709 349670201 /nfs/dbraw/zinc/67/02/01/349670201.db2.gz VIGYPAKGOPGRQI-LLVKDONJSA-N 1 0 207.321 2.408 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](OCCOC)C1 ZINC000560239484 398333080 /nfs/dbraw/zinc/33/30/80/398333080.db2.gz VLXSHUBKCWLCNR-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO CO[C@@H](C[NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000602658770 349663556 /nfs/dbraw/zinc/66/35/56/349663556.db2.gz YCUGJUXQMCMMRN-YIZWMMSDSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000602628047 349664144 /nfs/dbraw/zinc/66/41/44/349664144.db2.gz GSXFGAGNIXNNFR-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000602628045 349664289 /nfs/dbraw/zinc/66/42/89/349664289.db2.gz GSXFGAGNIXNNFR-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cncc(F)c1 ZINC000272956162 346887498 /nfs/dbraw/zinc/88/74/98/346887498.db2.gz KWILFRVWDWVTFP-VIFPVBQESA-N 1 0 207.252 2.175 20 30 BEEDRO CCOC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602629393 349665179 /nfs/dbraw/zinc/66/51/79/349665179.db2.gz ONGXRJOWJKFPHX-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000602629310 349665182 /nfs/dbraw/zinc/66/51/82/349665182.db2.gz MKPXLRNGBKKWFZ-YVECIDJPSA-N 1 0 224.348 2.424 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](C)CCC#N ZINC000602629404 349665206 /nfs/dbraw/zinc/66/52/06/349665206.db2.gz GFTAOEZCPORZLY-LBPRGKRZSA-N 1 0 210.321 2.061 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]C[C@@H](C)CCC#N ZINC000602678031 349670994 /nfs/dbraw/zinc/67/09/94/349670994.db2.gz AAGJGVXJUDUQNN-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO COC1(C[NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602671483 349665883 /nfs/dbraw/zinc/66/58/83/349665883.db2.gz JMAVCQVMUFMXTK-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCO)CC[NH2+]C1CCC(C#N)CC1 ZINC000602670480 349665891 /nfs/dbraw/zinc/66/58/91/349665891.db2.gz FWYMLQKNNFXYEP-HIFPTAJRSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]1C[NH+](CCCSCC#N)C[C@H]1C ZINC000074991918 398334871 /nfs/dbraw/zinc/33/48/71/398334871.db2.gz AFMYJMIJZYEHSU-GHMZBOCLSA-N 1 0 212.362 2.221 20 30 BEEDRO COCCC1(C)C[NH+](C[C@H](C)CCC#N)C1 ZINC000602688654 349679125 /nfs/dbraw/zinc/67/91/25/349679125.db2.gz OBTQGKVSPGOIPV-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCOC1(C)C ZINC000602682201 349674445 /nfs/dbraw/zinc/67/44/45/349674445.db2.gz ZPFOEZUEYJIWCD-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@@H]([C@@H](C)[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602683374 349675522 /nfs/dbraw/zinc/67/55/22/349675522.db2.gz VKOGQPCXJPMYFI-UZRPSVAASA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC000602688829 349679563 /nfs/dbraw/zinc/67/95/63/349679563.db2.gz AXKXTUBVUCTRCV-YWPUVAFDSA-N 1 0 222.332 2.226 20 30 BEEDRO CCn1ccnc1[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602684439 349676546 /nfs/dbraw/zinc/67/65/46/349676546.db2.gz YFYKCDNUUYHAMX-NWDGAFQWSA-N 1 0 234.347 2.493 20 30 BEEDRO Cc1ccc(CC[NH2+]C[C@H](C)CCC#N)nc1 ZINC000602688978 349679197 /nfs/dbraw/zinc/67/91/97/349679197.db2.gz UUOOHCJFXNZXSI-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(F)cc1F ZINC000051017496 398339653 /nfs/dbraw/zinc/33/96/53/398339653.db2.gz QSYZOORSUDEWRK-UHFFFAOYSA-N 1 0 210.227 2.358 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000602685757 349677189 /nfs/dbraw/zinc/67/71/89/349677189.db2.gz KWIQRQZWSBKAAH-CHWSQXEVSA-N 1 0 224.348 2.021 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CCC#N)C12CCC2 ZINC000602687418 349678481 /nfs/dbraw/zinc/67/84/81/349678481.db2.gz MJWABXKIMNHOCA-RWMBFGLXSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000602687993 349678770 /nfs/dbraw/zinc/67/87/70/349678770.db2.gz UCLRCYBYCYHUDE-QWRGUYRKSA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC2(C1)CCCOC2 ZINC000602689026 349679275 /nfs/dbraw/zinc/67/92/75/349679275.db2.gz PDBVINPCNHIIJN-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602679299 349671557 /nfs/dbraw/zinc/67/15/57/349671557.db2.gz CMPMDEZELGIDLB-MDZLAQPJSA-N 1 0 224.348 2.329 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cn1 ZINC000602679143 349671562 /nfs/dbraw/zinc/67/15/62/349671562.db2.gz CERKYRHEIPTAPF-NWDGAFQWSA-N 1 0 234.347 2.493 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)C(F)F ZINC000602679658 349672481 /nfs/dbraw/zinc/67/24/81/349672481.db2.gz RNIJEHQQVQNETH-LXKPXOPUSA-N 1 0 246.301 2.063 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000602680087 349672514 /nfs/dbraw/zinc/67/25/14/349672514.db2.gz ONKPZTCYNNOCOS-WCFLWFBJSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)C[C@@H](C)CCC#N ZINC000602680140 349672570 /nfs/dbraw/zinc/67/25/70/349672570.db2.gz JRWLRATWRFBEGD-NWDGAFQWSA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)C[C@H](C)CCC#N ZINC000602680142 349672582 /nfs/dbraw/zinc/67/25/82/349672582.db2.gz JRWLRATWRFBEGD-VXGBXAGGSA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CCCCO ZINC000602680104 349672751 /nfs/dbraw/zinc/67/27/51/349672751.db2.gz OUXAFKRRHOXQEB-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)C[C@H](C)CCC#N ZINC000602680139 349672805 /nfs/dbraw/zinc/67/28/05/349672805.db2.gz JRWLRATWRFBEGD-NEPJUHHUSA-N 1 0 212.337 2.019 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000351759765 136252243 /nfs/dbraw/zinc/25/22/43/136252243.db2.gz SUILSJHKOYNFHO-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000351759764 136252259 /nfs/dbraw/zinc/25/22/59/136252259.db2.gz SUILSJHKOYNFHO-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602668954 349685861 /nfs/dbraw/zinc/68/58/61/349685861.db2.gz YNPKFHCIRZZZOI-QWHCGFSZSA-N 1 0 225.380 2.245 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000602718126 349686791 /nfs/dbraw/zinc/68/67/91/349686791.db2.gz GAUYUCCLRXGUIW-NGEZQELSSA-N 1 0 204.317 2.457 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000351759766 136252736 /nfs/dbraw/zinc/25/27/36/136252736.db2.gz SUILSJHKOYNFHO-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CC[C@@](C)(C#N)C1)C1CC1 ZINC000602718934 349687466 /nfs/dbraw/zinc/68/74/66/349687466.db2.gz UEBZWSSCSKFATE-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000602662215 349682366 /nfs/dbraw/zinc/68/23/66/349682366.db2.gz LUJGMWBUANNNQS-YNEHKIRRSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)C[C@@H](CO)[N@H+](C)C[C@H](C)CCC#N ZINC000602663558 349682853 /nfs/dbraw/zinc/68/28/53/349682853.db2.gz CXUFPUWWXGNWDK-OLZOCXBDSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCCOC1 ZINC000602665677 349683654 /nfs/dbraw/zinc/68/36/54/349683654.db2.gz XLIRIHCGRMCRMR-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1csnn1 ZINC000602694078 349690648 /nfs/dbraw/zinc/69/06/48/349690648.db2.gz QHGXFQKHDDGQKK-DTWKUNHWSA-N 1 0 224.333 2.129 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CCC1)CC(C)C ZINC000602695291 349691667 /nfs/dbraw/zinc/69/16/67/349691667.db2.gz LNCYAQILKUXRMM-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO COC1(C[C@@H](C)[NH2+]CCCC#N)CCC1 ZINC000336769362 536694886 /nfs/dbraw/zinc/69/48/86/536694886.db2.gz UWGICWXCOOCAPY-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCCO1 ZINC000602697750 349693503 /nfs/dbraw/zinc/69/35/03/349693503.db2.gz LRKSHIFANRTAHE-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602699212 349695351 /nfs/dbraw/zinc/69/53/51/349695351.db2.gz NNAHAAMWUOSMMA-AGIUHOORSA-N 1 0 226.364 2.313 20 30 BEEDRO COCC1(CC[NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602698644 349694311 /nfs/dbraw/zinc/69/43/11/349694311.db2.gz DTYIXICRBWCHJM-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602698750 349694437 /nfs/dbraw/zinc/69/44/37/349694437.db2.gz VDXXGBSCXLXLHX-GFJIZPEISA-N 1 0 238.375 2.455 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000602697927 349694549 /nfs/dbraw/zinc/69/45/49/349694549.db2.gz CIPYGFNAIZQCSS-UHFFFAOYSA-N 1 0 244.338 2.351 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]C2CCC(C#N)CC2)[C@H](C)O1 ZINC000602691375 349688600 /nfs/dbraw/zinc/68/86/00/349688600.db2.gz SODJDEWYDNELDK-NFMDPKQHSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@H](COCC2CC2)C1 ZINC000351817542 136254994 /nfs/dbraw/zinc/25/49/94/136254994.db2.gz WOTXCQVOROCIJH-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCS[C@H]1C ZINC000602703922 349698500 /nfs/dbraw/zinc/69/85/00/349698500.db2.gz SJZLQFFSYRHXJW-VWYCJHECSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCN1C(C)(C)C ZINC000602704984 349699050 /nfs/dbraw/zinc/69/90/50/349699050.db2.gz IYJFTHGEPGELBO-OLZOCXBDSA-N 1 0 237.391 2.389 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602708286 349701941 /nfs/dbraw/zinc/70/19/41/349701941.db2.gz NSCLQSCZNJKTGA-VNOJIWKOSA-N 1 0 222.332 2.226 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(F)c(C#N)c2)C1 ZINC000352229884 536717928 /nfs/dbraw/zinc/71/79/28/536717928.db2.gz GTSNYCRYMSSJIR-UHFFFAOYSA-N 1 0 248.301 2.307 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)[C@@H]1CCCOC1 ZINC000602700404 349695925 /nfs/dbraw/zinc/69/59/25/349695925.db2.gz UJQJKLGLOJFDGY-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1C[N@H+](CC#Cc2cccc(Cl)c2)C[C@H]1O ZINC000351817198 136255510 /nfs/dbraw/zinc/25/55/10/136255510.db2.gz VMQVNXJLXQNVHT-SMDDNHRTSA-N 1 0 249.741 2.004 20 30 BEEDRO CC(C)O[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000602702273 349697247 /nfs/dbraw/zinc/69/72/47/349697247.db2.gz QFMQYFBAVYJPKR-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC[C@@H](C[N@@H+]1CCC[C@H](CC#N)C1)OC ZINC000602704521 349697982 /nfs/dbraw/zinc/69/79/82/349697982.db2.gz GYRNODXQWHIBKH-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CCN1CCCCC1 ZINC000602704730 349698231 /nfs/dbraw/zinc/69/82/31/349698231.db2.gz HKPJHCBCKOGJQQ-CQSZACIVSA-N 1 0 237.391 2.344 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000602703919 349698296 /nfs/dbraw/zinc/69/82/96/349698296.db2.gz SJZLQFFSYRHXJW-GMTAPVOTSA-N 1 0 212.362 2.410 20 30 BEEDRO CCn1nccc1C[NH2+]C1CCC(C#N)CC1 ZINC000602715032 349706293 /nfs/dbraw/zinc/70/62/93/349706293.db2.gz LTCYGQMHGJVXFY-UHFFFAOYSA-N 1 0 232.331 2.075 20 30 BEEDRO CC[C@H](C)[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)OC ZINC000602716784 349707393 /nfs/dbraw/zinc/70/73/93/349707393.db2.gz DIDWWASJHJDSHG-YNEHKIRRSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(O)CCC(C)CC1 ZINC000602716312 349707521 /nfs/dbraw/zinc/70/75/21/349707521.db2.gz SVGHJRILABXVGE-ROKHWSDSSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)[C@H](C)O1 ZINC000602736939 349720740 /nfs/dbraw/zinc/72/07/40/349720740.db2.gz RYZYDQXRFWLJCX-QUANKSPYSA-N 1 0 222.332 2.224 20 30 BEEDRO CC[C@]1(O)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602739089 349709247 /nfs/dbraw/zinc/70/92/47/349709247.db2.gz IOZFMLNBTZZGEP-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO N#CC1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000602719841 349712426 /nfs/dbraw/zinc/71/24/26/349712426.db2.gz AWHQATVEGBVTND-MOKVOYLWSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000602719657 349712439 /nfs/dbraw/zinc/71/24/39/349712439.db2.gz RCIGXHCLMQCWNB-YIYPIFLZSA-N 1 0 248.370 2.473 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602724515 349714339 /nfs/dbraw/zinc/71/43/39/349714339.db2.gz UYDHNSBNTWMXOD-CHWSQXEVSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000602727514 349716175 /nfs/dbraw/zinc/71/61/75/349716175.db2.gz VSTZFDAPISFECQ-FHUSYTEZSA-N 1 0 224.348 2.328 20 30 BEEDRO CCOC1CC(C[N@H+](CC)C[C@H](C)C#N)C1 ZINC000351853441 136258357 /nfs/dbraw/zinc/25/83/57/136258357.db2.gz DPUNPEIQIHBZPW-PNESKVBLSA-N 1 0 224.348 2.283 20 30 BEEDRO CCC1(CO)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602798461 349739325 /nfs/dbraw/zinc/73/93/25/349739325.db2.gz KQCADGAAVCHSMW-UHFFFAOYSA-N 1 0 236.359 2.165 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCO[C@@H]1C)C1CC1 ZINC000602799627 349740909 /nfs/dbraw/zinc/74/09/09/349740909.db2.gz KGIZOVQJJUGKDX-IJLUTSLNSA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCO[C@H]1C)C1CC1 ZINC000602799626 349741029 /nfs/dbraw/zinc/74/10/29/349741029.db2.gz KGIZOVQJJUGKDX-GRYCIOLGSA-N 1 0 222.332 2.035 20 30 BEEDRO C[N@H+](CC1(CC#N)CC1)C1CCC(CO)CC1 ZINC000602800867 349741807 /nfs/dbraw/zinc/74/18/07/349741807.db2.gz XTQZBPMVSOHWTF-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO CCCC[N@H+](CCCO)CC1(CC#N)CC1 ZINC000602803305 349742470 /nfs/dbraw/zinc/74/24/70/349742470.db2.gz CCMIJTJTMSGQOO-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C[C@@H]1C[C@@H]([N@H+](C)CC2(CC#N)CC2)CCN1C ZINC000602778548 349745183 /nfs/dbraw/zinc/74/51/83/349745183.db2.gz LZOLYQDAXUHFHG-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779849 349746194 /nfs/dbraw/zinc/74/61/94/349746194.db2.gz SQQMIMLPSVJXLB-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000602826069 349765294 /nfs/dbraw/zinc/76/52/94/349765294.db2.gz MAAJIKPBHFORPS-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCC1(C[N@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000602827073 349765527 /nfs/dbraw/zinc/76/55/27/349765527.db2.gz NVMZMYBCIWTTJB-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO CCCCC[N@H+](CCO)CC1(CC#N)CC1 ZINC000602789171 349752313 /nfs/dbraw/zinc/75/23/13/349752313.db2.gz YFIFWPXAUOLPOY-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO N#CCC1(CN2CCO[C@H](c3ccco3)C2)CC1 ZINC000602789390 349752763 /nfs/dbraw/zinc/75/27/63/349752763.db2.gz VMWZNAQCYYLUKC-ZDUSSCGKSA-N 1 0 246.310 2.347 20 30 BEEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC2(CC#N)CC2)C1 ZINC000602811578 349755523 /nfs/dbraw/zinc/75/55/23/349755523.db2.gz NBQLNSJPROZHMW-TZMCWYRMSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)C2(CCC2)CO1 ZINC000602861554 349772902 /nfs/dbraw/zinc/77/29/02/349772902.db2.gz BOVACOVZRNPVOB-GFCCVEGCSA-N 1 0 234.343 2.324 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000602861976 349773531 /nfs/dbraw/zinc/77/35/31/349773531.db2.gz 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CO[C@]1(C)C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1(C)C ZINC000349310915 136340744 /nfs/dbraw/zinc/34/07/44/136340744.db2.gz IJEDNPTWEJVAHY-ZJQBRPOHSA-N 1 0 236.359 2.472 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000349346741 136342543 /nfs/dbraw/zinc/34/25/43/136342543.db2.gz YTBAPSGPZBIFML-HTOAHKCRSA-N 1 0 246.354 2.226 20 30 BEEDRO N#CCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000271846091 136374939 /nfs/dbraw/zinc/37/49/39/136374939.db2.gz ZBJAPBZUZWMAJZ-CYBMUJFWSA-N 1 0 218.300 2.003 20 30 BEEDRO N#CCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271846093 136374993 /nfs/dbraw/zinc/37/49/93/136374993.db2.gz ZBJAPBZUZWMAJZ-ZDUSSCGKSA-N 1 0 218.300 2.003 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000289847583 136375411 /nfs/dbraw/zinc/37/54/11/136375411.db2.gz NQWJVMKUSQFDGF-UMNHJUIQSA-N 1 0 221.300 2.040 20 30 BEEDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]CC(C)(C)CCC#N ZINC000336890978 136376407 /nfs/dbraw/zinc/37/64/07/136376407.db2.gz IBDUJSFFEZUSRA-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(SC)CC1 ZINC000602919277 349809590 /nfs/dbraw/zinc/80/95/90/349809590.db2.gz DDXFIXGKOGRKIZ-NSHDSACASA-N 1 0 229.389 2.141 20 30 BEEDRO C[C@H]1CCC[C@@]1(O)C[NH2+]CC(C)(C)CCC#N ZINC000336890973 136376434 /nfs/dbraw/zinc/37/64/34/136376434.db2.gz IBDUJSFFEZUSRA-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCOC1 ZINC000165500834 343487424 /nfs/dbraw/zinc/48/74/24/343487424.db2.gz BIBZPNKWHWAYLC-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO CCC[N@H+](CCO)CCCC(C)(C)C#N ZINC000083642200 343493684 /nfs/dbraw/zinc/49/36/84/343493684.db2.gz AUQXJJRSERRXDK-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000310440755 343496082 /nfs/dbraw/zinc/49/60/82/343496082.db2.gz WJNMPAHPVBRVOI-GFCCVEGCSA-N 1 0 232.327 2.333 20 30 BEEDRO Cc1ncc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000083853903 343502280 /nfs/dbraw/zinc/50/22/80/343502280.db2.gz WNSTWRQCPFSACE-UHFFFAOYSA-N 1 0 221.329 2.235 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)NCc1ccccc1 ZINC000068517494 343630277 /nfs/dbraw/zinc/63/02/77/343630277.db2.gz QEVDXGLPSDLMOF-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO CCOC1CC(C[N@H+](C)[C@H]2CCC[C@@H]2C#N)C1 ZINC000602981871 349833131 /nfs/dbraw/zinc/83/31/31/349833131.db2.gz KORVLVFRXFIQMC-HHTDUIENSA-N 1 0 236.359 2.426 20 30 BEEDRO CCO[C@H](C[N@H+](C)[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602982440 349833943 /nfs/dbraw/zinc/83/39/43/349833943.db2.gz SHIFONKIOKACOD-MGPQQGTHSA-N 1 0 236.359 2.426 20 30 BEEDRO CCO[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602982438 349833954 /nfs/dbraw/zinc/83/39/54/349833954.db2.gz SHIFONKIOKACOD-HZSPNIEDSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)OC ZINC000602982326 349834415 /nfs/dbraw/zinc/83/44/15/349834415.db2.gz QQOKSZMYCCDBBK-UTUOFQBUSA-N 1 0 210.321 2.035 20 30 BEEDRO CCC1([NH+](C)C)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000602966865 349827771 /nfs/dbraw/zinc/82/77/71/349827771.db2.gz UERDGQGIIGMLFV-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972630 343654566 /nfs/dbraw/zinc/65/45/66/343654566.db2.gz HRNCCWYMGNAAOE-DFBGVHRSSA-N 1 0 242.322 2.197 20 30 BEEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000087595164 343654716 /nfs/dbraw/zinc/65/47/16/343654716.db2.gz IAAGZZSSQUZMAH-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000087595162 343654893 /nfs/dbraw/zinc/65/48/93/343654893.db2.gz MNSFWTIONPWCQU-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602981578 349832048 /nfs/dbraw/zinc/83/20/48/349832048.db2.gz GJFHFKHLCCMZKF-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)CCC ZINC000048070885 343708799 /nfs/dbraw/zinc/70/87/99/343708799.db2.gz GOCZNOBTYOUKES-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccsc1C ZINC000339338063 343697173 /nfs/dbraw/zinc/69/71/73/343697173.db2.gz JULJQSFUTBBTDE-NSHDSACASA-N 1 0 225.357 2.331 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@@H]32)CC1 ZINC000602997452 349851492 /nfs/dbraw/zinc/85/14/92/349851492.db2.gz KIHBUASPEUVOJX-IHRRRGAJSA-N 1 0 248.370 2.306 20 30 BEEDRO C[N@H+](CCCCC#N)CCOCC1CC1 ZINC000088558578 343727962 /nfs/dbraw/zinc/72/79/62/343727962.db2.gz SBSIMEXDJFVUHQ-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[N@H+](C)Cc1cccc(CNCCC#N)c1 ZINC000584226882 343775311 /nfs/dbraw/zinc/77/53/11/343775311.db2.gz SVOUZKMOVLKDRT-UHFFFAOYSA-N 1 0 231.343 2.142 20 30 BEEDRO Cc1occc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309073849 349854237 /nfs/dbraw/zinc/85/42/37/349854237.db2.gz HXUXFXBAQGTTKN-JQWIXIFHSA-N 1 0 204.273 2.370 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000187887518 259370413 /nfs/dbraw/zinc/37/04/13/259370413.db2.gz JSNUHBWRNNOODY-CYDGBPFRSA-N 1 0 211.349 2.480 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000584133481 343764285 /nfs/dbraw/zinc/76/42/85/343764285.db2.gz XVRZSNNQODBJFH-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO N#CCN(C[C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000393295906 343792893 /nfs/dbraw/zinc/79/28/93/343792893.db2.gz UULASHAFLVSSPI-GXTWGEPZSA-N 1 0 236.359 2.306 20 30 BEEDRO NC(=NOCc1nccs1)C1CCCC1 ZINC000179002283 346970823 /nfs/dbraw/zinc/97/08/23/346970823.db2.gz UZWKNLWAXROWTI-UHFFFAOYSA-N 1 0 225.317 2.122 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000625700452 344039874 /nfs/dbraw/zinc/03/98/74/344039874.db2.gz BYQCRCFIHWYDDS-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000625699914 344038785 /nfs/dbraw/zinc/03/87/85/344038785.db2.gz DWRYDLHAPMFXKD-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](CC=C)C1 ZINC000625701224 344041433 /nfs/dbraw/zinc/04/14/33/344041433.db2.gz PHOJVYHIZGDGQR-STQMWFEESA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)CCO)C1CC1 ZINC000121452840 349880125 /nfs/dbraw/zinc/88/01/25/349880125.db2.gz ZVYKARWUEVRWCU-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](C)CCO)C1CC1 ZINC000121453028 349880130 /nfs/dbraw/zinc/88/01/30/349880130.db2.gz ZVYKARWUEVRWCU-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000625700689 344040350 /nfs/dbraw/zinc/04/03/50/344040350.db2.gz FIWMEGSGMNQFEN-WCQYABFASA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCn2cc(C)cn2)C1 ZINC000625700752 344040704 /nfs/dbraw/zinc/04/07/04/344040704.db2.gz LBQBMICRTNHMKX-CYBMUJFWSA-N 1 0 219.332 2.090 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000625701038 344041178 /nfs/dbraw/zinc/04/11/78/344041178.db2.gz GQZHOQAUTSXLPL-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCOC1 ZINC000334296749 343868300 /nfs/dbraw/zinc/86/83/00/343868300.db2.gz ZSURMMJSLLYUSZ-UKRRQHHQSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@@H]1C[C@H](C)CN(Cc2nc(C#N)cs2)C1 ZINC000334505649 343888562 /nfs/dbraw/zinc/88/85/62/343888562.db2.gz YEOAMLZZCCDINH-AOOOYVTPSA-N 1 0 235.356 2.493 20 30 BEEDRO C[N@H+](CC[C@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000401019391 529932239 /nfs/dbraw/zinc/93/22/39/529932239.db2.gz WMXCFVATCCNHOG-ZDUSSCGKSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CC[N@@H+](C[C@@H](OCC)C1CC1)[C@H](C)COC ZINC000625531172 343920218 /nfs/dbraw/zinc/92/02/18/343920218.db2.gz YGJOTKQGBZKOPX-TZMCWYRMSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](C[C@H](OCC)C1CC1)[C@@H](C)COC ZINC000625531170 343920250 /nfs/dbraw/zinc/92/02/50/343920250.db2.gz YGJOTKQGBZKOPX-JSGCOSHPSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000335080053 347016341 /nfs/dbraw/zinc/01/63/41/347016341.db2.gz ZRXFKDDHNJJMEL-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](Cc1cncc(OC)n1)C(C)(C)C ZINC000625538626 343925540 /nfs/dbraw/zinc/92/55/40/343925540.db2.gz JBSXRHGTQQWKID-UHFFFAOYSA-N 1 0 235.331 2.272 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)C(C)(C)CO ZINC000234270944 343933842 /nfs/dbraw/zinc/93/38/42/343933842.db2.gz KDONKIPMSIJPGM-UHFFFAOYSA-N 1 0 226.364 2.409 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000313004200 343971553 /nfs/dbraw/zinc/97/15/53/343971553.db2.gz PFFGQVRPOYIFRY-CYBMUJFWSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000625702495 344046668 /nfs/dbraw/zinc/04/66/68/344046668.db2.gz GSFBXLTVBQAXAC-GFCCVEGCSA-N 1 0 232.327 2.106 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641232363 362287373 /nfs/dbraw/zinc/28/73/73/362287373.db2.gz FKCXGQNFMNZKCU-CHWSQXEVSA-N 1 0 248.374 2.347 20 30 BEEDRO C=CCCC[C@H](C)n1cc(C[NH2+]C2CC2)nn1 ZINC000641234780 362288820 /nfs/dbraw/zinc/28/88/20/362288820.db2.gz VEXBCOJNYXERAS-NSHDSACASA-N 1 0 234.347 2.447 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCc2nc(C)no2)C1 ZINC000625702866 344047128 /nfs/dbraw/zinc/04/71/28/344047128.db2.gz HYNXKTNDWYRAFC-GFCCVEGCSA-N 1 0 235.331 2.209 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000625704570 344049555 /nfs/dbraw/zinc/04/95/55/344049555.db2.gz YOPJLZCRSPWPGX-UPJWGTAASA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCNC(=O)C[N@@H+]1CC(C)(C)CCC1(C)C ZINC000625723076 344056766 /nfs/dbraw/zinc/05/67/66/344056766.db2.gz OIFOYZQRSOHMQF-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCN(C)C(=O)Cn1cncc1C ZINC000625759081 344064622 /nfs/dbraw/zinc/06/46/22/344064622.db2.gz SMHAKTSKSMVEOM-UHFFFAOYSA-N 1 0 249.358 2.396 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC(F)(F)CC1 ZINC000625769663 344065496 /nfs/dbraw/zinc/06/54/96/344065496.db2.gz VYNTZHHTPAMUDW-LLVKDONJSA-N 1 0 233.302 2.435 20 30 BEEDRO CCC[C@H]([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603258497 349901480 /nfs/dbraw/zinc/90/14/80/349901480.db2.gz BVNWISRNVXWHPY-NSHDSACASA-N 1 0 249.362 2.408 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)CC1(C)COC1 ZINC000625792847 344076766 /nfs/dbraw/zinc/07/67/66/344076766.db2.gz ZXRJHALAYRPFFX-UHFFFAOYSA-N 1 0 229.323 2.006 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000174421387 166202816 /nfs/dbraw/zinc/20/28/16/166202816.db2.gz FNFQBONVCOPIIG-UHFFFAOYSA-N 1 0 249.379 2.465 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](CC)c1cnn(C)c1 ZINC000129644704 344215160 /nfs/dbraw/zinc/21/51/60/344215160.db2.gz LGXLPISGGDPEGJ-CMPLNLGQSA-N 1 0 207.321 2.425 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1nccs1 ZINC000129995148 344217497 /nfs/dbraw/zinc/21/74/97/344217497.db2.gz ALHLIBPKMPATLO-SECBINFHSA-N 1 0 226.370 2.160 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634757479 344221014 /nfs/dbraw/zinc/22/10/14/344221014.db2.gz SWSHTVFFKFGSRO-MNOVXSKESA-N 1 0 231.286 2.144 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000130476527 344221967 /nfs/dbraw/zinc/22/19/67/344221967.db2.gz OEXJGKFLVQWDJJ-SECBINFHSA-N 1 0 206.245 2.259 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(COC)c1 ZINC000174421183 166203109 /nfs/dbraw/zinc/20/31/09/166203109.db2.gz YJYFQDFDPSXZSF-UHFFFAOYSA-N 1 0 249.379 2.289 20 30 BEEDRO Cc1nocc1CN1CCC[C@@](C)(C#N)C1 ZINC000590362529 347032348 /nfs/dbraw/zinc/03/23/48/347032348.db2.gz OMHIIPPLSBZVRZ-LBPRGKRZSA-N 1 0 219.288 2.109 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000234828798 344271071 /nfs/dbraw/zinc/27/10/71/344271071.db2.gz ALJOBCOBNKUJGV-GHMZBOCLSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234836958 344273868 /nfs/dbraw/zinc/27/38/68/344273868.db2.gz BZOPAMRAIXGPQW-UHFFFAOYSA-N 1 0 216.284 2.233 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000600734473 344364564 /nfs/dbraw/zinc/36/45/64/344364564.db2.gz CGNRTJAURBDSQK-KGLIPLIRSA-N 1 0 248.370 2.209 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600605178 344339122 /nfs/dbraw/zinc/33/91/22/344339122.db2.gz NJAGAQIZXYDKSF-YIYPIFLZSA-N 1 0 231.343 2.456 20 30 BEEDRO C[C@@H]1[NH2+]CC[C@H]1Nc1cccc(Cl)c1C#N ZINC000600674135 344353828 /nfs/dbraw/zinc/35/38/28/344353828.db2.gz DKFQSEDWNJUKJA-GZMMTYOYSA-N 1 0 235.718 2.374 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000600744358 344367842 /nfs/dbraw/zinc/36/78/42/344367842.db2.gz MOAOPKUWTXRYRJ-MQYQWHSLSA-N 1 0 248.370 2.067 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC2CCCCC2)CC1 ZINC000600715413 344362129 /nfs/dbraw/zinc/36/21/29/344362129.db2.gz YALJTTKSOFXZLA-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600717493 344362432 /nfs/dbraw/zinc/36/24/32/344362432.db2.gz LXLUWNYNSFLCBZ-AGIUHOORSA-N 1 0 236.359 2.209 20 30 BEEDRO CCC(CC)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723543 344363034 /nfs/dbraw/zinc/36/30/34/344363034.db2.gz WBQQUUDXRUVNES-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@H](CC)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723597 344363241 /nfs/dbraw/zinc/36/32/41/344363241.db2.gz XQWRJUQIWCQAQQ-RYUDHWBXSA-N 1 0 224.348 2.209 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC2(C3CC3)CCC2)CC1 ZINC000600725154 344363453 /nfs/dbraw/zinc/36/34/53/344363453.db2.gz CJRKNEYZAPNFKA-ZDUSSCGKSA-N 1 0 248.370 2.211 20 30 BEEDRO CCCC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600729868 344363972 /nfs/dbraw/zinc/36/39/72/344363972.db2.gz ISFJFUQUXWLAMW-GFCCVEGCSA-N 1 0 236.359 2.211 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600749686 344368254 /nfs/dbraw/zinc/36/82/54/344368254.db2.gz RDUSGRUUMQKYSP-OLZOCXBDSA-N 1 0 236.359 2.065 20 30 BEEDRO CC1(C)CC[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600731935 344364506 /nfs/dbraw/zinc/36/45/06/344364506.db2.gz NXYKPZYWCWZVHS-VXGBXAGGSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000600746489 344368667 /nfs/dbraw/zinc/36/86/67/344368667.db2.gz HOQJRVXHPIXOFR-LPWJVIDDSA-N 1 0 236.359 2.065 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc(CO)o1 ZINC000570821939 323071646 /nfs/dbraw/zinc/07/16/46/323071646.db2.gz CZCRDAWFFFXQOU-UHFFFAOYSA-N 1 0 236.315 2.191 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CC=CC2)s1 ZINC000135507847 344502132 /nfs/dbraw/zinc/50/21/32/344502132.db2.gz SQQMQAGPBOKPTJ-UHFFFAOYSA-N 1 0 204.298 2.428 20 30 BEEDRO CC#CC[N@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000120079398 344538964 /nfs/dbraw/zinc/53/89/64/344538964.db2.gz KNLBAWFHJUUHHY-OAHLLOKOSA-N 1 0 213.324 2.499 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000152426471 344539204 /nfs/dbraw/zinc/53/92/04/344539204.db2.gz JQFPWHCPTSMORH-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCCCCC[N@@H+]1CCO[C@H](COCC)C1 ZINC000625953066 344591547 /nfs/dbraw/zinc/59/15/47/344591547.db2.gz HZSUAYHCOBDMOA-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCO1)C1CC1 ZINC000119821408 344598255 /nfs/dbraw/zinc/59/82/55/344598255.db2.gz BEAYHIZUHFVTPF-CHWSQXEVSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCCC[N@@H+](C)CCOC[C@@H]1CCCO1 ZINC000152578762 344585447 /nfs/dbraw/zinc/58/54/47/344585447.db2.gz HMVBAWKQLJJMPN-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO N#CCCCC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000160968498 201753017 /nfs/dbraw/zinc/75/30/17/201753017.db2.gz GIXDJWHTFUKDMD-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC#CCC[N@@H+]1CCc2c(O)cccc2C1 ZINC000626028293 344681158 /nfs/dbraw/zinc/68/11/58/344681158.db2.gz DOPADTGYFRQQOY-UHFFFAOYSA-N 1 0 215.296 2.164 20 30 BEEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119850283 344631382 /nfs/dbraw/zinc/63/13/82/344631382.db2.gz NWFPBOVGJHAXGR-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000375393203 344641295 /nfs/dbraw/zinc/64/12/95/344641295.db2.gz NAJZNQLWHDNUNG-OAHLLOKOSA-N 1 0 227.307 2.141 20 30 BEEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC#CCOC ZINC000309458623 347068049 /nfs/dbraw/zinc/06/80/49/347068049.db2.gz NFSZIWCVZXGKEN-CHWSQXEVSA-N 1 0 241.400 2.290 20 30 BEEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H]3CCCC[C@@]32C)C1=O ZINC000626103697 344743596 /nfs/dbraw/zinc/74/35/96/344743596.db2.gz MCGQOIZKYUSSPJ-YDHLFZDLSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+]2C[C@@H]3CCCC[C@@]32C)C1=O ZINC000626103696 344743622 /nfs/dbraw/zinc/74/36/22/344743622.db2.gz MCGQOIZKYUSSPJ-GUTXKFCHSA-N 1 0 248.370 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000382009140 347066698 /nfs/dbraw/zinc/06/66/98/347066698.db2.gz LSNIJPAZSWMOQB-KSSYENDESA-N 1 0 204.317 2.457 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000260113716 344709828 /nfs/dbraw/zinc/70/98/28/344709828.db2.gz QLXYMNGKPLWOOI-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[NH+]1CCC(CNc2cnccc2C#N)CC1 ZINC000135601417 344784938 /nfs/dbraw/zinc/78/49/38/344784938.db2.gz DIAYWEDQWBRVEH-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO COCC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309488306 347074319 /nfs/dbraw/zinc/07/43/19/347074319.db2.gz WEXLKCCLVJADHM-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCCC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000075925553 344788358 /nfs/dbraw/zinc/78/83/58/344788358.db2.gz CJFXRIFQHZHEBL-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO CN(C)c1ccc(C(N)=[NH+]OC2CCCC2)cc1 ZINC000181879192 347076769 /nfs/dbraw/zinc/07/67/69/347076769.db2.gz MNMFQXOJPFYOIT-UHFFFAOYSA-N 1 0 247.342 2.332 20 30 BEEDRO C[C@@H]1C[NH+](C[C@H](C#N)CCC#N)C[C@H]1C ZINC000076111676 344795651 /nfs/dbraw/zinc/79/56/51/344795651.db2.gz AMUXCCUEKTUZQW-UTUOFQBUSA-N 1 0 205.305 2.018 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000449524118 344810925 /nfs/dbraw/zinc/81/09/25/344810925.db2.gz YWNGFGNIEYNABV-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO N#Cc1ccc(C[N@@H+](CCCCO)C2CC2)cc1 ZINC000077376369 344817567 /nfs/dbraw/zinc/81/75/67/344817567.db2.gz VWFGZBSMKKKDQG-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO [NH2+]=C(NCC#Cc1ccccc1)NC1CCCC1 ZINC000077887518 344830915 /nfs/dbraw/zinc/83/09/15/344830915.db2.gz LPSGFQCRBBEUBH-UHFFFAOYSA-N 1 0 241.338 2.095 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@H]1CCCOC1 ZINC000352185979 344854324 /nfs/dbraw/zinc/85/43/24/344854324.db2.gz HYUOKENMSRFLCH-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO C[C@@H](NC[C@H]1CCCC[NH2+]1)c1ccc(C#N)cc1 ZINC000235205056 344845206 /nfs/dbraw/zinc/84/52/06/344845206.db2.gz ZCNJKIYPGNRKOO-IUODEOHRSA-N 1 0 243.354 2.351 20 30 BEEDRO Cc1ccc(NC[C@H](C2CC2)[NH+](C)C)nc1C#N ZINC000302672339 178761344 /nfs/dbraw/zinc/76/13/44/178761344.db2.gz RYKWFADZCOIWKZ-CYBMUJFWSA-N 1 0 244.342 2.014 20 30 BEEDRO Cc1nc(CC[NH+]2CCC(C#N)CC2)cs1 ZINC000120080098 344876398 /nfs/dbraw/zinc/87/63/98/344876398.db2.gz GKUIZPPVRZLLDH-UHFFFAOYSA-N 1 0 235.356 2.230 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000234768008 537873141 /nfs/dbraw/zinc/87/31/41/537873141.db2.gz BSMLWVFTKFUJBI-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)COc1c(C)cccc1C ZINC000121185657 344915827 /nfs/dbraw/zinc/91/58/27/344915827.db2.gz VMDQWQJTMCJBPT-CQSZACIVSA-N 1 0 249.354 2.161 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375718443 534980521 /nfs/dbraw/zinc/98/05/21/534980521.db2.gz IRQKIUCEJJQJCN-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000678735829 488279481 /nfs/dbraw/zinc/27/94/81/488279481.db2.gz BQXCZKSOYOZLOW-BXUZGUMPSA-N 1 0 235.327 2.283 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000372473000 534982329 /nfs/dbraw/zinc/98/23/29/534982329.db2.gz OCEPYIUEAMUJOG-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)(C#N)CCCN1CC[NH+](CC2CC2)CC1 ZINC000087608562 534983284 /nfs/dbraw/zinc/98/32/84/534983284.db2.gz WIFJYHBENKUJQF-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@H]1CO ZINC000124631267 345048069 /nfs/dbraw/zinc/04/80/69/345048069.db2.gz PQLFKBLLXXZJPP-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123729826 345013740 /nfs/dbraw/zinc/01/37/40/345013740.db2.gz NDSMQSVFCAMZDM-FRRDWIJNSA-N 1 0 243.354 2.028 20 30 BEEDRO COc1ccc([C@H]2CCN(CCC#N)C2)cc1 ZINC000155331770 345077592 /nfs/dbraw/zinc/07/75/92/345077592.db2.gz AGEWBORDFFNQIM-ZDUSSCGKSA-N 1 0 230.311 2.398 20 30 BEEDRO C#CC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC000155333228 345077913 /nfs/dbraw/zinc/07/79/13/345077913.db2.gz ZALJROLLVIHOHN-ZDUSSCGKSA-N 1 0 215.296 2.118 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339732190 534988261 /nfs/dbraw/zinc/98/82/61/534988261.db2.gz UUOUSHDBBYIERF-GFCCVEGCSA-N 1 0 238.375 2.313 20 30 BEEDRO CC#CCC[N@H+](C)CCC(=O)OC(C)(C)C ZINC000156060928 345122476 /nfs/dbraw/zinc/12/24/76/345122476.db2.gz AFQIDHOKUJMGAL-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341998355 534987835 /nfs/dbraw/zinc/98/78/35/534987835.db2.gz XVYKYEYIJZXOPQ-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000225605951 345167317 /nfs/dbraw/zinc/16/73/17/345167317.db2.gz HIBVDBDJNPFKAF-KGLIPLIRSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000449079146 201803358 /nfs/dbraw/zinc/80/33/58/201803358.db2.gz XHGCWIUVUONCND-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO CC#CCC[NH2+]Cc1c(C)nc2ccccn21 ZINC000158297601 345314444 /nfs/dbraw/zinc/31/44/44/345314444.db2.gz BOCILNRJAJEAQQ-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)CC(O)(CC)CC ZINC000626111291 345270144 /nfs/dbraw/zinc/27/01/44/345270144.db2.gz KAWRRLNGBAXNSI-GFCCVEGCSA-N 1 0 211.349 2.271 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC#N)CC1 ZINC000158911962 345388135 /nfs/dbraw/zinc/38/81/35/345388135.db2.gz JVDBICQVQQYIOC-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(C#N)cc1 ZINC000133680991 345383944 /nfs/dbraw/zinc/38/39/44/345383944.db2.gz XJZYZMFHUBANRD-UHFFFAOYSA-N 1 0 217.272 2.003 20 30 BEEDRO C[NH+]=C(NCc1sccc1C)N[C@H]1C[C@H]1C ZINC000080671297 345416023 /nfs/dbraw/zinc/41/60/23/345416023.db2.gz FCNBFWSFJSRUOO-ZJUUUORDSA-N 1 0 237.372 2.130 20 30 BEEDRO Cc1ccc(C[NH+]2CCCC2)cc1C#N ZINC000260749733 345416499 /nfs/dbraw/zinc/41/64/99/345416499.db2.gz GKGVLCQHLXWSBJ-UHFFFAOYSA-N 1 0 200.285 2.463 20 30 BEEDRO CC#CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000084133753 345511186 /nfs/dbraw/zinc/51/11/86/345511186.db2.gz ISUJRPHGNLZUIV-MRXNPFEDSA-N 1 0 243.350 2.343 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567821789 323090087 /nfs/dbraw/zinc/09/00/87/323090087.db2.gz LIMHEFDTYCTKML-SDDRHHMPSA-N 1 0 241.379 2.156 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000449180205 201830190 /nfs/dbraw/zinc/83/01/90/201830190.db2.gz YVEWSJFNNQZLIJ-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)CCCC(=O)NC ZINC000089264094 345552117 /nfs/dbraw/zinc/55/21/17/345552117.db2.gz LLJKUFQICLRTCK-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCn1cnnc1C1CC1 ZINC000090033351 345562776 /nfs/dbraw/zinc/56/27/76/345562776.db2.gz DJVFGEQWDIHLED-CYBMUJFWSA-N 1 0 248.374 2.490 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCCO1 ZINC000393604504 345564485 /nfs/dbraw/zinc/56/44/85/345564485.db2.gz XRYNJWMMZXYESR-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626121694 345518195 /nfs/dbraw/zinc/51/81/95/345518195.db2.gz QOZOCOAEWASUOG-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)cc1F)C1CC1 ZINC000091481914 345594974 /nfs/dbraw/zinc/59/49/74/345594974.db2.gz UJUUMTSPHWUWGW-AWEZNQCLSA-N 1 0 247.317 2.449 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000091508865 345595798 /nfs/dbraw/zinc/59/57/98/345595798.db2.gz CUHODYXPFGNOLY-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(CC(N)=O)CC1 ZINC000091539709 345597192 /nfs/dbraw/zinc/59/71/92/345597192.db2.gz LJGIPIVZWVUUMH-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[N@@H+](CCO)Cc1cccc(OCC)c1 ZINC000093511516 345661999 /nfs/dbraw/zinc/66/19/99/345661999.db2.gz RTEWLECQFYZVBD-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000435740264 537908972 /nfs/dbraw/zinc/90/89/72/537908972.db2.gz JHEPBXBERLTKMX-HUUCEWRRSA-N 1 0 246.354 2.461 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368081297 535006328 /nfs/dbraw/zinc/00/63/28/535006328.db2.gz LNNUIDNTIIFLJD-LLVKDONJSA-N 1 0 246.358 2.187 20 30 BEEDRO CC(C)C[NH2+]CCc1ccc(C#N)cc1 ZINC000082954953 345795923 /nfs/dbraw/zinc/79/59/23/345795923.db2.gz ABMRDJKTIXPENZ-UHFFFAOYSA-N 1 0 202.301 2.346 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000588967088 345836569 /nfs/dbraw/zinc/83/65/69/345836569.db2.gz MZTAFAMOROAXPM-AAEUAGOBSA-N 1 0 224.348 2.019 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309504113 347088145 /nfs/dbraw/zinc/08/81/45/347088145.db2.gz ALCGWWZKNURIRP-FVCCEPFGSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)C[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000340865485 345897720 /nfs/dbraw/zinc/89/77/20/345897720.db2.gz SCNNYDUCUVJONG-UHFFFAOYSA-N 1 0 232.327 2.009 20 30 BEEDRO Cc1cnc(C[NH2+]CC(C)(C)CCC#N)o1 ZINC000235807752 345917013 /nfs/dbraw/zinc/91/70/13/345917013.db2.gz TYFNCWPWQHNGRC-UHFFFAOYSA-N 1 0 221.304 2.403 20 30 BEEDRO C#CCCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000145480566 345937473 /nfs/dbraw/zinc/93/74/73/345937473.db2.gz CAAAMJAVWLMHOQ-UHFFFAOYSA-N 1 0 243.350 2.383 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000289591955 345938213 /nfs/dbraw/zinc/93/82/13/345938213.db2.gz CBNAHFMAANDROB-MNOVXSKESA-N 1 0 207.321 2.143 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cn2ccccc2n1 ZINC000585727168 345982344 /nfs/dbraw/zinc/98/23/44/345982344.db2.gz MSALIAIQOSCGGW-GFCCVEGCSA-N 1 0 242.326 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cn2ccccc2n1 ZINC000585727169 345982512 /nfs/dbraw/zinc/98/25/12/345982512.db2.gz MSALIAIQOSCGGW-LBPRGKRZSA-N 1 0 242.326 2.364 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccnc(OC)n1 ZINC000449372863 201889812 /nfs/dbraw/zinc/88/98/12/201889812.db2.gz LTWGZFNHRLFSGR-WDEREUQCSA-N 1 0 235.331 2.176 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635867018 346097919 /nfs/dbraw/zinc/09/79/19/346097919.db2.gz MOYWAISWWAEPNU-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000289623316 346162575 /nfs/dbraw/zinc/16/25/75/346162575.db2.gz DSKAEGKFWBCZHP-AAEUAGOBSA-N 1 0 205.301 2.193 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449416375 201912736 /nfs/dbraw/zinc/91/27/36/201912736.db2.gz SRSDVQRZEWUSGQ-TUAOUCFPSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc(C)no1 ZINC000601131607 346204904 /nfs/dbraw/zinc/20/49/04/346204904.db2.gz NMMYIOZZFUFTSZ-UHFFFAOYSA-N 1 0 226.345 2.382 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000575132370 346195201 /nfs/dbraw/zinc/19/52/01/346195201.db2.gz AJWHZVDXKJYQPE-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccccc1 ZINC000289652603 346235644 /nfs/dbraw/zinc/23/56/44/346235644.db2.gz GIGLYLIXPRJSDH-QWHCGFSZSA-N 1 0 205.301 2.274 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cc(CC)ncn2)CC1 ZINC000603392035 349944639 /nfs/dbraw/zinc/94/46/39/349944639.db2.gz OAIFFFIEVHEOKY-UHFFFAOYSA-N 1 0 246.358 2.101 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289659125 346236850 /nfs/dbraw/zinc/23/68/50/346236850.db2.gz LWGLHZVFTONXIP-SECBINFHSA-N 1 0 226.345 2.252 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291033049 346249207 /nfs/dbraw/zinc/24/92/07/346249207.db2.gz JFLVGUBWTOUYAA-UHFFFAOYSA-N 1 0 229.274 2.414 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2ccccc21 ZINC000289690861 346262346 /nfs/dbraw/zinc/26/23/46/346262346.db2.gz IDLFVDBCUXWZHH-TZMCWYRMSA-N 1 0 217.312 2.201 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1ccncc1N ZINC000641746274 362672803 /nfs/dbraw/zinc/67/28/03/362672803.db2.gz RILSTDQQNUZLNG-NSHDSACASA-N 1 0 219.332 2.498 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1N(C)C ZINC000641759577 362691054 /nfs/dbraw/zinc/69/10/54/362691054.db2.gz GOTVGPAHXYLSKZ-AWEZNQCLSA-N 1 0 248.370 2.169 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1(CC)CCOCC1 ZINC000641759576 362691593 /nfs/dbraw/zinc/69/15/93/362691593.db2.gz GOHQMXWGLYWNTR-ZDUSSCGKSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636089923 346315645 /nfs/dbraw/zinc/31/56/45/346315645.db2.gz BZVGZBWTWOPNEK-WDEREUQCSA-N 1 0 238.375 2.044 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000669378354 537969190 /nfs/dbraw/zinc/96/91/90/537969190.db2.gz AZXFWHUQOJSIGH-LLVKDONJSA-N 1 0 215.300 2.328 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCC(C)(C)CC1 ZINC000641768703 362707693 /nfs/dbraw/zinc/70/76/93/362707693.db2.gz GITCTZDVTCPZRS-CYBMUJFWSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(C)c(C)c1 ZINC000641769009 362708533 /nfs/dbraw/zinc/70/85/33/362708533.db2.gz NTHRUTJDQFRMSU-OAHLLOKOSA-N 1 0 231.339 2.167 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000641769186 362708648 /nfs/dbraw/zinc/70/86/48/362708648.db2.gz PJYGFOUCYLMWGB-QBOMHBFWSA-N 1 0 243.350 2.454 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000641766842 362699031 /nfs/dbraw/zinc/69/90/31/362699031.db2.gz BVLYWQAYINLFRI-ZNMIVQPWSA-N 1 0 235.371 2.343 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccsc1Cl ZINC000641767425 362701361 /nfs/dbraw/zinc/70/13/61/362701361.db2.gz KUEOQFNAKTZWQH-JTQLQIEISA-N 1 0 243.759 2.265 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2cocn2)CC1 ZINC000281779627 346367831 /nfs/dbraw/zinc/36/78/31/346367831.db2.gz SYONSWWCWTYJBX-UHFFFAOYSA-N 1 0 219.288 2.094 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](C)[NH+](C)C ZINC000636310643 346388240 /nfs/dbraw/zinc/38/82/40/346388240.db2.gz QEDFUMAUQXEVLI-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CC(C(C)C)C(C)C ZINC000380164838 346383487 /nfs/dbraw/zinc/38/34/87/346383487.db2.gz CEEMKWSRLIATHA-GFCCVEGCSA-N 1 0 213.365 2.441 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282276329 346392239 /nfs/dbraw/zinc/39/22/39/346392239.db2.gz ROENULIAEQSWNE-NSHDSACASA-N 1 0 239.388 2.298 20 30 BEEDRO Cc1cc(C[NH2+]CCCN2CCC2)ccc1C#N ZINC000574926400 346415188 /nfs/dbraw/zinc/41/51/88/346415188.db2.gz BIYJOWJVTPFZJD-UHFFFAOYSA-N 1 0 243.354 2.052 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC)cn1 ZINC000679219154 488318675 /nfs/dbraw/zinc/31/86/75/488318675.db2.gz PGPIGFMKXMRKSV-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccc2nccn21 ZINC000449470190 201934823 /nfs/dbraw/zinc/93/48/23/201934823.db2.gz AHERMTZKMABBOQ-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000387820991 347098716 /nfs/dbraw/zinc/09/87/16/347098716.db2.gz VLJASPLIFMXUPX-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000309558579 347101248 /nfs/dbraw/zinc/10/12/48/347101248.db2.gz KIABWHHTANBASY-PWSUYJOCSA-N 1 0 219.332 2.211 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1c(C)noc1C ZINC000563547065 323129861 /nfs/dbraw/zinc/12/98/61/323129861.db2.gz OLXCYMMGESDFCR-LLVKDONJSA-N 1 0 221.304 2.116 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1nccnc1C ZINC000279868697 166244239 /nfs/dbraw/zinc/24/42/39/166244239.db2.gz FJVUNLZZDFBKRJ-SNVBAGLBSA-N 1 0 205.305 2.402 20 30 BEEDRO C[N@H+](C[C@H](O)C1CC1)CC(C)(C)CCC#N ZINC000589196993 346675232 /nfs/dbraw/zinc/67/52/32/346675232.db2.gz RSIDFTBAGVHCDX-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO CSCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000300898335 346635624 /nfs/dbraw/zinc/63/56/24/346635624.db2.gz VNLLJGNOWKSOJR-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO CCCN(CC)C[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000589350740 346693945 /nfs/dbraw/zinc/69/39/45/346693945.db2.gz MSMDZAXQPCJCRU-RDBSUJKOSA-N 1 0 237.391 2.389 20 30 BEEDRO CN1C[C@H]2CC[N@H+](CCCCC(C)(C)C#N)[C@@H]2C1 ZINC000590010430 346762939 /nfs/dbraw/zinc/76/29/39/346762939.db2.gz IBLRBWUTGBXTFP-ZIAGYGMSSA-N 1 0 249.402 2.342 20 30 BEEDRO CN1C[C@H]2CC[N@H+](CCCCC(C)(C)C#N)[C@H]2C1 ZINC000590010427 346763119 /nfs/dbraw/zinc/76/31/19/346763119.db2.gz IBLRBWUTGBXTFP-KGLIPLIRSA-N 1 0 249.402 2.342 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)C1(CO)CCC1 ZINC000590019410 346764734 /nfs/dbraw/zinc/76/47/34/346764734.db2.gz RGSILDLVLXHSLN-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO CC[NH+](CC)CCCC1CCN(CC#N)CC1 ZINC000182754993 347105267 /nfs/dbraw/zinc/10/52/67/347105267.db2.gz NEQFICZKNUFSFS-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000309571559 347105466 /nfs/dbraw/zinc/10/54/66/347105466.db2.gz NAPQGPRAUIEACT-JTQLQIEISA-N 1 0 238.356 2.047 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](n3ccnc3)C2)C1 ZINC000590158600 346782992 /nfs/dbraw/zinc/78/29/92/346782992.db2.gz DSTZXWKNIYLLSE-MCIONIFRSA-N 1 0 244.342 2.212 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000590169317 346787256 /nfs/dbraw/zinc/78/72/56/346787256.db2.gz NHVSEOGXTRVBKY-ZJUUUORDSA-N 1 0 226.270 2.410 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000590173417 346788008 /nfs/dbraw/zinc/78/80/08/346788008.db2.gz MIAZNRMUAZYNLG-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000590186866 346789320 /nfs/dbraw/zinc/78/93/20/346789320.db2.gz PKCGGTXZCGEQFQ-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@H](C)CC ZINC000183044094 347117210 /nfs/dbraw/zinc/11/72/10/347117210.db2.gz UJNVSUJEUWCOLE-OLZOCXBDSA-N 1 0 238.375 2.211 20 30 BEEDRO Cn1ccnc1[C@@H]([NH2+]CCCCC#N)C1CC1 ZINC000183269178 347123149 /nfs/dbraw/zinc/12/31/49/347123149.db2.gz HQASVRZQQRTVNQ-LBPRGKRZSA-N 1 0 232.331 2.155 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000601281413 347145232 /nfs/dbraw/zinc/14/52/32/347145232.db2.gz NZVJEMWIOUKJSW-AVGNSLFASA-N 1 0 248.370 2.473 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cc(F)ccc1O ZINC000184088495 347148706 /nfs/dbraw/zinc/14/87/06/347148706.db2.gz FKFXYWZGYLAIKM-NSHDSACASA-N 1 0 222.263 2.313 20 30 BEEDRO CN(Cc1cccc(C#N)c1)C[C@@H]1CCC[N@@H+]1C ZINC000092628411 347155863 /nfs/dbraw/zinc/15/58/63/347155863.db2.gz KCPFMAYISDBBNS-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1ncc(C)cn1 ZINC000309781575 347160190 /nfs/dbraw/zinc/16/01/90/347160190.db2.gz RHTMYRCQTRVOQU-LBPRGKRZSA-N 1 0 219.332 2.272 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cc(OC)ncc1F ZINC000309893958 347193840 /nfs/dbraw/zinc/19/38/40/347193840.db2.gz DZXUIQKRVWFMLB-IUCAKERBSA-N 1 0 224.279 2.454 20 30 BEEDRO CCCC(CCC)[NH+]1CCN(CCC#N)CC1 ZINC000601314656 347197871 /nfs/dbraw/zinc/19/78/71/347197871.db2.gz MPYCTRHIICJDGI-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO Cc1oc2ccccc2c1CNC(=[NH2+])N(C)C ZINC000184824333 347180390 /nfs/dbraw/zinc/18/03/90/347180390.db2.gz ZXIKLHGXFGWZNJ-UHFFFAOYSA-N 1 0 231.299 2.118 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309840724 347182858 /nfs/dbraw/zinc/18/28/58/347182858.db2.gz CZFZUFJSXPMENU-WUHRBBMRSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000309997643 347213535 /nfs/dbraw/zinc/21/35/35/347213535.db2.gz CMOOUEWZHMUIJX-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185773349 347213705 /nfs/dbraw/zinc/21/37/05/347213705.db2.gz VBWYKETWFPILPP-GXTWGEPZSA-N 1 0 246.358 2.323 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000265845648 166256312 /nfs/dbraw/zinc/25/63/12/166256312.db2.gz UDSSBPNUYHAEJJ-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO CCCCOCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310013606 347217065 /nfs/dbraw/zinc/21/70/65/347217065.db2.gz JVNJOZYDSUVDBC-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)(C#N)CCN1CCC([NH+]2CCCC2)CC1 ZINC000119633049 347297942 /nfs/dbraw/zinc/29/79/42/347297942.db2.gz CYWSQAOXMSFMLD-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[N@@H+]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000264654976 347254249 /nfs/dbraw/zinc/25/42/49/347254249.db2.gz PQVIDIZMDIDPHU-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO CO[C@H]([C@H](C)[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000388360928 347269078 /nfs/dbraw/zinc/26/90/78/347269078.db2.gz SQELEUJDHKGGGV-XHDPSFHLSA-N 1 0 244.338 2.461 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191127075 347342742 /nfs/dbraw/zinc/34/27/42/347342742.db2.gz WOBYLQPYTNMIEH-ZDUSSCGKSA-N 1 0 249.358 2.192 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CC[S@](C)=O)C1CC1 ZINC000130613460 133659723 /nfs/dbraw/zinc/65/97/23/133659723.db2.gz YRSFBPWQCHNKHS-PVXIVEMSSA-N 1 0 243.416 2.478 20 30 BEEDRO COc1ncccc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192651907 347382058 /nfs/dbraw/zinc/38/20/58/347382058.db2.gz QSQIRBZAWGRALN-DGCLKSJQSA-N 1 0 245.326 2.262 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000192869713 347386237 /nfs/dbraw/zinc/38/62/37/347386237.db2.gz QEUXPXIMVUADJB-AEGPPILISA-N 1 0 244.338 2.392 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000116987774 347387592 /nfs/dbraw/zinc/38/75/92/347387592.db2.gz NGRPGYZALOXTBN-LOWDOPEQSA-N 1 0 238.375 2.329 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1 ZINC000193302485 347394920 /nfs/dbraw/zinc/39/49/20/347394920.db2.gz SYWYASGFAQRZOM-QWHCGFSZSA-N 1 0 247.317 2.091 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302595 347394962 /nfs/dbraw/zinc/39/49/62/347394962.db2.gz XSKKIXWRUIDJJQ-QWHCGFSZSA-N 1 0 247.317 2.162 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000364432133 347422858 /nfs/dbraw/zinc/42/28/58/347422858.db2.gz AQTWHOBTCDRYEP-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000301942646 347443172 /nfs/dbraw/zinc/44/31/72/347443172.db2.gz HTEPLRUUISHWJR-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(OC)ccn1 ZINC000276359722 166259781 /nfs/dbraw/zinc/25/97/81/166259781.db2.gz FQFWZMNGRHPBIK-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)C1CCC1 ZINC000590645624 347484678 /nfs/dbraw/zinc/48/46/78/347484678.db2.gz LXRSHZGXZBWSJB-AWEZNQCLSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)(CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000590647069 347485341 /nfs/dbraw/zinc/48/53/41/347485341.db2.gz FTMLQUQOZXKKOT-UHFFFAOYSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000364511875 347461176 /nfs/dbraw/zinc/46/11/76/347461176.db2.gz QVNOIAGICQYZON-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC[C@@H](SC)C1 ZINC000590707612 347498005 /nfs/dbraw/zinc/49/80/05/347498005.db2.gz MHTTUOUUCADYOM-NEPJUHHUSA-N 1 0 229.389 2.141 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC[C@H](SC)C1 ZINC000590707615 347498232 /nfs/dbraw/zinc/49/82/32/347498232.db2.gz MHTTUOUUCADYOM-RYUDHWBXSA-N 1 0 229.389 2.141 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@H]1CCCC[C@H]1O ZINC000590602099 347476097 /nfs/dbraw/zinc/47/60/97/347476097.db2.gz FLOVEFMAGDAIRG-ZIAGYGMSSA-N 1 0 236.359 2.163 20 30 BEEDRO CCOC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000336776268 347505222 /nfs/dbraw/zinc/50/52/22/347505222.db2.gz FHZGJTGJJYYMQK-HIFPTAJRSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCOCCC#N ZINC000590764452 347529221 /nfs/dbraw/zinc/52/92/21/347529221.db2.gz CQPIPTHIJBFUSV-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765005 347529978 /nfs/dbraw/zinc/52/99/78/347529978.db2.gz HCDYUDUEDVYZOX-GEJOOGBSSA-N 1 0 249.354 2.082 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cnc2ccccn12 ZINC000590970628 347597457 /nfs/dbraw/zinc/59/74/57/347597457.db2.gz FIBSDEYFEHWBEE-UHFFFAOYSA-N 1 0 242.326 2.364 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000591357711 347644436 /nfs/dbraw/zinc/64/44/36/347644436.db2.gz VWLALQNSTLVEHH-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1nsc(N[C@H]2CCC[C@@H]([NH3+])C2)c1C#N ZINC000591435646 347659753 /nfs/dbraw/zinc/65/97/53/347659753.db2.gz QSPZJNHWWCODOK-BDAKNGLRSA-N 1 0 236.344 2.005 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591013252 347606345 /nfs/dbraw/zinc/60/63/45/347606345.db2.gz OPEIRYYNMPJLLG-CHWSQXEVSA-N 1 0 232.331 2.212 20 30 BEEDRO COc1ccc(C[N@H+](C)[C@H](C)CCC#N)cn1 ZINC000591019634 347607436 /nfs/dbraw/zinc/60/74/36/347607436.db2.gz JNYUWWMQNJRSMH-LLVKDONJSA-N 1 0 233.315 2.214 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000591026556 347610938 /nfs/dbraw/zinc/61/09/38/347610938.db2.gz PUFBRBCCWBUNHQ-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](NCC[NH2+]C1CC1)c1ccc(C#N)c(F)c1 ZINC000591577269 347676566 /nfs/dbraw/zinc/67/65/66/347676566.db2.gz KVHXMGVJJYBTJJ-JTQLQIEISA-N 1 0 247.317 2.100 20 30 BEEDRO CC[C@H](NCC[NH2+]C1CC1)c1ccc(C#N)cc1 ZINC000591577260 347676741 /nfs/dbraw/zinc/67/67/41/347676741.db2.gz JZJMHIOWVNLQRC-HNNXBMFYSA-N 1 0 243.354 2.351 20 30 BEEDRO C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)[C@H](C)[NH3+] ZINC000591579973 347677411 /nfs/dbraw/zinc/67/74/11/347677411.db2.gz COHBDLKBXJQWRR-FIXISWKDSA-N 1 0 243.354 2.261 20 30 BEEDRO CC[C@H]([NH3+])CN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591579963 347677491 /nfs/dbraw/zinc/67/74/91/347677491.db2.gz BMHZGNNVFBQKAS-ZFWWWQNUSA-N 1 0 243.354 2.263 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000591579974 347677939 /nfs/dbraw/zinc/67/79/39/347677939.db2.gz COHBDLKBXJQWRR-PGUXBMHVSA-N 1 0 243.354 2.261 20 30 BEEDRO COc1ccc2c(c1)CC[C@@H]([NH2+]CCC#N)C2 ZINC000591759135 347692067 /nfs/dbraw/zinc/69/20/67/347692067.db2.gz HCWHINZUDHVHAB-CYBMUJFWSA-N 1 0 230.311 2.056 20 30 BEEDRO N#CCCCCCc1nc([C@H]2CCC[NH2+]2)no1 ZINC000592356475 347768851 /nfs/dbraw/zinc/76/88/51/347768851.db2.gz ZLEDIEWKKAIJSC-SNVBAGLBSA-N 1 0 234.303 2.121 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CO1 ZINC000592366082 347774856 /nfs/dbraw/zinc/77/48/56/347774856.db2.gz RUENAJMYLVHYDD-RISCZKNCSA-N 1 0 242.322 2.314 20 30 BEEDRO COCC1(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000592392549 347776381 /nfs/dbraw/zinc/77/63/81/347776381.db2.gz KKBGFBURDUFAEG-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000592395988 347776716 /nfs/dbraw/zinc/77/67/16/347776716.db2.gz DKEWMLUJFXEXIT-REWJHTLYSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)C[N@H+](C)Cc1ccncc1C#N ZINC000592064449 347726248 /nfs/dbraw/zinc/72/62/48/347726248.db2.gz FBMZKWNMYNLMMZ-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000592067202 347726726 /nfs/dbraw/zinc/72/67/26/347726726.db2.gz RTALPBPAWHXJTE-CQSZACIVSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1cnccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000592072274 347728399 /nfs/dbraw/zinc/72/83/99/347728399.db2.gz SGTLHWSYTBMWJM-VXGBXAGGSA-N 1 0 227.311 2.185 20 30 BEEDRO CC[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592072297 347728539 /nfs/dbraw/zinc/72/85/39/347728539.db2.gz SZIPXTWJMMCUIO-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO N#Cc1cnccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000592072270 347728554 /nfs/dbraw/zinc/72/85/54/347728554.db2.gz SGTLHWSYTBMWJM-RYUDHWBXSA-N 1 0 227.311 2.185 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592072697 347729023 /nfs/dbraw/zinc/72/90/23/347729023.db2.gz WVGBQTNZVIYYNE-GFCCVEGCSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)C[C@@H]1C ZINC000592090438 347731496 /nfs/dbraw/zinc/73/14/96/347731496.db2.gz SXWMMFZQCDUOTR-NEPJUHHUSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccncc1C#N ZINC000592125105 347738526 /nfs/dbraw/zinc/73/85/26/347738526.db2.gz PSDKTTWVLLWEJG-GRYCIOLGSA-N 1 0 229.327 2.430 20 30 BEEDRO CC(C)(C)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150248 347742064 /nfs/dbraw/zinc/74/20/64/347742064.db2.gz BNAGUFMTHTVVOT-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO CCc1ccccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154550 347744403 /nfs/dbraw/zinc/74/44/03/347744403.db2.gz TYYQACFVJQJVIN-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO N#CC[C@]1(O)CC[N@H+](CCC2=CCCCC2)C1 ZINC000592155238 347745574 /nfs/dbraw/zinc/74/55/74/347745574.db2.gz YXTRDOQIYOPERM-AWEZNQCLSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592168718 347746663 /nfs/dbraw/zinc/74/66/63/347746663.db2.gz ZXLCFFAORHDYHN-MXWKQRLJSA-N 1 0 215.362 2.061 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](C)O ZINC000449535072 201957598 /nfs/dbraw/zinc/95/75/98/201957598.db2.gz CXEOEHHBFIOMNJ-GMKTYKIGSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCN1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593047984 347844054 /nfs/dbraw/zinc/84/40/54/347844054.db2.gz GAHFQZVEORXLMH-GHMZBOCLSA-N 1 0 225.332 2.367 20 30 BEEDRO CC[C@H]1CN(CC2(C#N)CC2)[C@@H](CC)CO1 ZINC000593058060 347848020 /nfs/dbraw/zinc/84/80/20/347848020.db2.gz ILXLVEBACLIBIL-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000593069345 347850345 /nfs/dbraw/zinc/85/03/45/347850345.db2.gz JZPFHKLCBUCJBZ-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO CC(C)c1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000201096153 347870553 /nfs/dbraw/zinc/87/05/53/347870553.db2.gz KKEQIFMLJIDUTR-UHFFFAOYSA-N 1 0 219.332 2.186 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000593112947 347861575 /nfs/dbraw/zinc/86/15/75/347861575.db2.gz SNIPULDQFWPIQA-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CCCC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118513 347862552 /nfs/dbraw/zinc/86/25/52/347862552.db2.gz XGPUSXQCMUEDBL-VIFPVBQESA-N 1 0 200.232 2.021 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000593692176 347928526 /nfs/dbraw/zinc/92/85/26/347928526.db2.gz QQWGSPXZXQBBHO-QWHCGFSZSA-N 1 0 236.359 2.211 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000593681708 347932182 /nfs/dbraw/zinc/93/21/82/347932182.db2.gz HHYUFHKHOJVKGX-WXHSDQCUSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000261533458 192371478 /nfs/dbraw/zinc/37/14/78/192371478.db2.gz BAWOBVHFOLFQIL-UHFFFAOYSA-N 1 0 218.300 2.311 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C(=O)OC)CC2)C1 ZINC000593616476 347915959 /nfs/dbraw/zinc/91/59/59/347915959.db2.gz LNOPLJSJRVGCQG-VXGBXAGGSA-N 1 0 237.343 2.274 20 30 BEEDRO COC[C@H](CC(C)(C)C)[NH2+]CC1(C#N)CC1 ZINC000593623175 347917214 /nfs/dbraw/zinc/91/72/14/347917214.db2.gz WZHRXCBSZCCYOO-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)C1 ZINC000593601129 347919127 /nfs/dbraw/zinc/91/91/27/347919127.db2.gz RGRCIJAYUBPGMW-RNJOBUHISA-N 1 0 243.416 2.433 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC[S@](C)=O)C1 ZINC000593605588 347919681 /nfs/dbraw/zinc/91/96/81/347919681.db2.gz TYIUSLSMZMGALD-FOCJUVANSA-N 1 0 243.416 2.478 20 30 BEEDRO COC[C@H](CC(C)(C)C)[NH2+]CCCC#N ZINC000593614560 347920966 /nfs/dbraw/zinc/92/09/66/347920966.db2.gz DIFQKGUBXFJOII-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)o1)[C@@H]1CCCOC1 ZINC000593673339 347924849 /nfs/dbraw/zinc/92/48/49/347924849.db2.gz FYBJSQOHKOZJEK-LLVKDONJSA-N 1 0 234.299 2.152 20 30 BEEDRO C=CCC(CC=C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000262578288 192372037 /nfs/dbraw/zinc/37/20/37/192372037.db2.gz MAMZEWPGLKLWDJ-UHFFFAOYSA-N 1 0 238.375 2.198 20 30 BEEDRO N#CC1(C(=O)Nc2cccc(C[NH3+])c2)CCCC1 ZINC000593899603 347966740 /nfs/dbraw/zinc/96/67/40/347966740.db2.gz DNZROVXXQGQTRN-UHFFFAOYSA-N 1 0 243.310 2.168 20 30 BEEDRO CC(C)(CC[NH+]1CCN(CCC#N)CC1)C1CC1 ZINC000593969143 347974291 /nfs/dbraw/zinc/97/42/91/347974291.db2.gz VEOUPWNONJRFKK-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)nc1 ZINC000594014779 347989780 /nfs/dbraw/zinc/98/97/80/347989780.db2.gz KMEYYXCDSKZXEC-LBPRGKRZSA-N 1 0 249.264 2.184 20 30 BEEDRO Cc1ncc([C@H](C)[NH2+]CCCC#N)s1 ZINC000308647865 347989815 /nfs/dbraw/zinc/98/98/15/347989815.db2.gz IONPAMSRCNXDNW-QMMMGPOBSA-N 1 0 209.318 2.406 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCSC1 ZINC000308643741 347983289 /nfs/dbraw/zinc/98/32/89/347983289.db2.gz GGWSALONMXFWQJ-GHMZBOCLSA-N 1 0 212.362 2.411 20 30 BEEDRO CC(C)(O)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594503152 348064111 /nfs/dbraw/zinc/06/41/11/348064111.db2.gz UHTCUISYJFCVKT-UHFFFAOYSA-N 1 0 246.354 2.348 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000594525770 348069783 /nfs/dbraw/zinc/06/97/83/348069783.db2.gz VHRJHRADHRQWMG-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000594520381 348069804 /nfs/dbraw/zinc/06/98/04/348069804.db2.gz NWFABTVCTJTYEB-LXTVHRRPSA-N 1 0 247.386 2.285 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000594525773 348069850 /nfs/dbraw/zinc/06/98/50/348069850.db2.gz VHRJHRADHRQWMG-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO CCC[C@H](CC)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594430893 348045461 /nfs/dbraw/zinc/04/54/61/348045461.db2.gz CUVBPIQMXPWBLX-RYUDHWBXSA-N 1 0 239.363 2.093 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncccc1C ZINC000449547377 201963259 /nfs/dbraw/zinc/96/32/59/201963259.db2.gz HZGOVGQZAKOFFR-OCCSQVGLSA-N 1 0 232.327 2.213 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000449550908 201963334 /nfs/dbraw/zinc/96/33/34/201963334.db2.gz CZQSDKHNACSCAM-JSGCOSHPSA-N 1 0 231.343 2.278 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000449549171 201963374 /nfs/dbraw/zinc/96/33/74/201963374.db2.gz VIPIHMPXGYPXJX-SUXDSQMHSA-N 1 0 244.338 2.418 20 30 BEEDRO C[C@H](O)C[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000594617068 348084089 /nfs/dbraw/zinc/08/40/89/348084089.db2.gz ZTCYAALBAOMHNA-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO C[NH2+][C@H](C)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657404 348093155 /nfs/dbraw/zinc/09/31/55/348093155.db2.gz AIPNLSMMCNYHOE-LLVKDONJSA-N 1 0 247.346 2.033 20 30 BEEDRO 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CO[C@H](C[NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000594993049 348167867 /nfs/dbraw/zinc/16/78/67/348167867.db2.gz CYFPZIPFMGRLLB-CQSZACIVSA-N 1 0 248.326 2.446 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)[C@@H]1CCO[C@H](C)C1 ZINC000595297924 348217053 /nfs/dbraw/zinc/21/70/53/348217053.db2.gz KULDOOPEFYOPPF-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](C#N)CN(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595300438 348217980 /nfs/dbraw/zinc/21/79/80/348217980.db2.gz CGZOXFIMYGLKDH-MGPQQGTHSA-N 1 0 237.391 2.056 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](OC)C1CCC1 ZINC000595302386 348219383 /nfs/dbraw/zinc/21/93/83/348219383.db2.gz GTLVDGNRKINGHV-AAEUAGOBSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[N@@H+](C[C@H](OC)C1CCC1)C[C@H](C)C#N ZINC000595302389 348219735 /nfs/dbraw/zinc/21/97/35/348219735.db2.gz GTLVDGNRKINGHV-YPMHNXCESA-N 1 0 224.348 2.283 20 30 BEEDRO C#CC[N@H+](C)CCCOCCc1ccccc1 ZINC000192230368 323178659 /nfs/dbraw/zinc/17/86/59/323178659.db2.gz HNXMNJRHORBZTE-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 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2.189 20 30 BEEDRO CCN(CC[N@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](C)C#N ZINC000595817466 348344329 /nfs/dbraw/zinc/34/43/29/348344329.db2.gz JIOQWPDBUNNEII-MJBXVCDLSA-N 1 0 237.391 2.198 20 30 BEEDRO N#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000595788310 348345998 /nfs/dbraw/zinc/34/59/98/348345998.db2.gz IWXUOQCRNRTRSL-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC2(COC2)C1 ZINC000595835698 348369022 /nfs/dbraw/zinc/36/90/22/348369022.db2.gz WIFURXJHXQCYEH-GFCCVEGCSA-N 1 0 242.322 2.342 20 30 BEEDRO CC(C)(C)OCCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595837861 348372052 /nfs/dbraw/zinc/37/20/52/348372052.db2.gz NQMZIUXVEGLAHV-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCC2CCOCC2)C1 ZINC000595841419 348376424 /nfs/dbraw/zinc/37/64/24/348376424.db2.gz LOPOXYMHKOTUAK-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO CO[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C1CCCC1 ZINC000595842495 348377823 /nfs/dbraw/zinc/37/78/23/348377823.db2.gz RWNJWPQHQSBGIJ-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000595842522 348378364 /nfs/dbraw/zinc/37/83/64/348378364.db2.gz FGCDJGKGNAQDNZ-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@]1(C)CO ZINC000595871208 348385210 /nfs/dbraw/zinc/38/52/10/348385210.db2.gz IUDUNCSOMRVSFR-WFASDCNBSA-N 1 0 244.338 2.009 20 30 BEEDRO N#CCCOCC[N@H+](CCC1CC1)CC1CC1 ZINC000595870958 348385533 /nfs/dbraw/zinc/38/55/33/348385533.db2.gz ICCLHVIQVNFULB-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@]1(C)CO ZINC000595871206 348385644 /nfs/dbraw/zinc/38/56/44/348385644.db2.gz IUDUNCSOMRVSFR-IUODEOHRSA-N 1 0 244.338 2.009 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595855085 348358118 /nfs/dbraw/zinc/35/81/18/348358118.db2.gz FBWWAWLOKSLHLK-TXEJJXNPSA-N 1 0 225.332 2.226 20 30 BEEDRO Cc1cc(NC[C@@H](C)[N@H+](C)C2CC2)ncc1C#N ZINC001639423201 1172104800 /nfs/dbraw/zinc/10/48/00/1172104800.db2.gz XYFALJONDNVLAW-LLVKDONJSA-N 1 0 244.342 2.156 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cn1)C[C@H]1CC1(C)C ZINC000595908024 348397487 /nfs/dbraw/zinc/39/74/87/348397487.db2.gz DUNXKYKEWCQHSU-GFCCVEGCSA-N 1 0 229.327 2.431 20 30 BEEDRO COCCCC[N@H+](C)CC#Cc1ccccc1 ZINC000419393842 192129835 /nfs/dbraw/zinc/12/98/35/192129835.db2.gz VGBKROQBDPDJJI-UHFFFAOYSA-N 1 0 231.339 2.397 20 30 BEEDRO COCCCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000419387234 192129886 /nfs/dbraw/zinc/12/98/86/192129886.db2.gz NDARZJURLSLJRC-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1nc(C#N)ccc1C ZINC000596051609 348433359 /nfs/dbraw/zinc/43/33/59/348433359.db2.gz ZOWPSSMFJNBLGM-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[NH+]1CCC(Nc2nc(C#N)ccc2C)CC1 ZINC000596061293 348435187 /nfs/dbraw/zinc/43/51/87/348435187.db2.gz GEUUKRCVHLEMOR-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC(C)(C)OC(=O)C1(C[NH2+]CCC#N)CCC1 ZINC000596070783 348437178 /nfs/dbraw/zinc/43/71/78/348437178.db2.gz URBKSWHGQITAOY-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000419378028 192132429 /nfs/dbraw/zinc/13/24/29/192132429.db2.gz VLHRNZGYUNTCPJ-CYDGBPFRSA-N 1 0 211.349 2.290 20 30 BEEDRO C[C@H]1C[C@H](CO)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000398655610 323188476 /nfs/dbraw/zinc/18/84/76/323188476.db2.gz MMCPBSVWWRRLIY-STQMWFEESA-N 1 0 238.375 2.267 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C#N)cn1 ZINC000596275106 348493883 /nfs/dbraw/zinc/49/38/83/348493883.db2.gz LPNJYPAYJKIJCW-CYBMUJFWSA-N 1 0 232.331 2.018 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(CO)CCCCC2)o1 ZINC000122145089 362928517 /nfs/dbraw/zinc/92/85/17/362928517.db2.gz AMEBXETWYPKGRA-UHFFFAOYSA-N 1 0 248.326 2.184 20 30 BEEDRO Cc1ccc(C#N)nc1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000596147386 348451993 /nfs/dbraw/zinc/45/19/93/348451993.db2.gz VYXJVDMLHSFRHY-NEPJUHHUSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1ccc(C#N)nc1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000596147387 348452324 /nfs/dbraw/zinc/45/23/24/348452324.db2.gz VYXJVDMLHSFRHY-NWDGAFQWSA-N 1 0 244.342 2.156 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ncccc1C#N ZINC000596306583 348492021 /nfs/dbraw/zinc/49/20/21/348492021.db2.gz GTRKUKMASGBSDL-GFCCVEGCSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cccnc1C#N ZINC000596306815 348492250 /nfs/dbraw/zinc/49/22/50/348492250.db2.gz IHRCSTQNJKUVDI-NSHDSACASA-N 1 0 244.342 2.238 20 30 BEEDRO C=C(C[NH2+][C@H](C)CC(=O)N(C)C)c1ccccc1 ZINC000268785598 187398618 /nfs/dbraw/zinc/39/86/18/187398618.db2.gz AJPKWGLSNCLESA-CYBMUJFWSA-N 1 0 246.354 2.156 20 30 BEEDRO C[C@@H](CCNc1ccc(C#N)cc1)[NH+](C)C ZINC000596423809 348528436 /nfs/dbraw/zinc/52/84/36/348528436.db2.gz CLADZSXTZMMBHM-NSHDSACASA-N 1 0 217.316 2.310 20 30 BEEDRO Cc1cc(C)c(C#N)c(NCC[C@@H](C)[NH+](C)C)n1 ZINC000596423765 348528472 /nfs/dbraw/zinc/52/84/72/348528472.db2.gz BRNOTFSZWHUNSI-GFCCVEGCSA-N 1 0 246.358 2.322 20 30 BEEDRO C[C@@H](CCNc1ccc(C#N)cc1F)[NH+](C)C ZINC000596427244 348529578 /nfs/dbraw/zinc/52/95/78/348529578.db2.gz BTSGQBWNMFRGIH-JTQLQIEISA-N 1 0 235.306 2.449 20 30 BEEDRO C[C@H](CCNc1ccc(C#N)cc1F)[NH+](C)C ZINC000596427245 348529767 /nfs/dbraw/zinc/52/97/67/348529767.db2.gz BTSGQBWNMFRGIH-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO Cn1ncc2c1CC(C)(C)C[N@H+](CCCC#N)C2 ZINC000596598441 348589348 /nfs/dbraw/zinc/58/93/48/348589348.db2.gz GDISOCQFDSLPCF-UHFFFAOYSA-N 1 0 246.358 2.108 20 30 BEEDRO C=CCCSCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000596649908 348605001 /nfs/dbraw/zinc/60/50/01/348605001.db2.gz HJBSMNVHQKTWIQ-QWHCGFSZSA-N 1 0 242.432 2.416 20 30 BEEDRO CC[C@H](N[C@@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000596654776 348607689 /nfs/dbraw/zinc/60/76/89/348607689.db2.gz NILCZTWPGMWEFY-FZMZJTMJSA-N 1 0 231.343 2.207 20 30 BEEDRO C[NH2+]C[C@@H](C)N[C@H]1CCCc2cc(C#N)ccc21 ZINC000596654386 348607713 /nfs/dbraw/zinc/60/77/13/348607713.db2.gz NRZWMFUIDMMFBM-ABAIWWIYSA-N 1 0 243.354 2.133 20 30 BEEDRO N#CC1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCCCC1 ZINC000596653881 348608010 /nfs/dbraw/zinc/60/80/10/348608010.db2.gz XOQHZNZAWXILEL-CHWSQXEVSA-N 1 0 235.375 2.177 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000596488937 348559765 /nfs/dbraw/zinc/55/97/65/348559765.db2.gz AQAPGBFQVPSBEG-MBNYWOFBSA-N 1 0 232.327 2.043 20 30 BEEDRO C[C@@]1(C#N)CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000596531101 348568202 /nfs/dbraw/zinc/56/82/02/348568202.db2.gz IGNUBFLQZBOTSZ-ZDUSSCGKSA-N 1 0 226.283 2.303 20 30 BEEDRO C[C@@H](CSCCF)[NH2+]CC(C)(C)C#N ZINC000597081495 348658143 /nfs/dbraw/zinc/65/81/43/348658143.db2.gz BALTUAJFLLARRI-VIFPVBQESA-N 1 0 218.341 2.217 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000597117574 348663165 /nfs/dbraw/zinc/66/31/65/348663165.db2.gz WDOWJSVLWZXQRA-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)s1 ZINC000597153656 348665120 /nfs/dbraw/zinc/66/51/20/348665120.db2.gz LFAYGWSGUNCEBS-MFKMUULPSA-N 1 0 248.351 2.277 20 30 BEEDRO C[C@H](CSCCF)[NH2+]CC1(C#N)CCC1 ZINC000597152460 348665379 /nfs/dbraw/zinc/66/53/79/348665379.db2.gz AZIPODXNPOACFG-SNVBAGLBSA-N 1 0 230.352 2.361 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)s1 ZINC000597153654 348665398 /nfs/dbraw/zinc/66/53/98/348665398.db2.gz LFAYGWSGUNCEBS-GWCFXTLKSA-N 1 0 248.351 2.277 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000597212592 348680814 /nfs/dbraw/zinc/68/08/14/348680814.db2.gz VUHFUDAINQQTMJ-GXTWGEPZSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000597184909 348682942 /nfs/dbraw/zinc/68/29/42/348682942.db2.gz SESVWRJBGQVBKU-UHFFFAOYSA-N 1 0 237.299 2.294 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597184733 348683021 /nfs/dbraw/zinc/68/30/21/348683021.db2.gz NSTFBNUDPGNAHK-OLZOCXBDSA-N 1 0 241.400 2.453 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCC1CCOCC1 ZINC000308821004 348711191 /nfs/dbraw/zinc/71/11/91/348711191.db2.gz BZTSDRVLMRKZNX-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO Cc1ccc(CC[NH2+][C@@H](C)CC#N)cc1 ZINC000308840481 348772049 /nfs/dbraw/zinc/77/20/49/348772049.db2.gz JWFDPEHPRRGGEQ-LBPRGKRZSA-N 1 0 202.301 2.429 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000401939992 348779444 /nfs/dbraw/zinc/77/94/44/348779444.db2.gz FNKJAHDPNCNRIR-GYSYKLTISA-N 1 0 230.311 2.386 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc2[nH]ccc21 ZINC000184285246 348816536 /nfs/dbraw/zinc/81/65/36/348816536.db2.gz QVZIOKZUOFOWTE-LBPRGKRZSA-N 1 0 230.311 2.195 20 30 BEEDRO COc1ccccc1C[C@H](C)[NH2+]C[C@H](C)C#N ZINC000054181163 348896603 /nfs/dbraw/zinc/89/66/03/348896603.db2.gz UDNFJLWIJBFCBH-NEPJUHHUSA-N 1 0 232.327 2.375 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000598599522 348992830 /nfs/dbraw/zinc/99/28/30/348992830.db2.gz OUXIFTNLHSXGAL-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000598622338 349002728 /nfs/dbraw/zinc/00/27/28/349002728.db2.gz IDWHNNLURYYSPO-AVGNSLFASA-N 1 0 236.359 2.162 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)CC(C)(C)C#N ZINC000598586125 348994573 /nfs/dbraw/zinc/99/45/73/348994573.db2.gz CZWVILWTOINCNF-GFCCVEGCSA-N 1 0 224.348 2.185 20 30 BEEDRO CCC1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598585997 348995044 /nfs/dbraw/zinc/99/50/44/348995044.db2.gz MYXXTFZRKOBHPJ-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598583834 348995084 /nfs/dbraw/zinc/99/50/84/348995084.db2.gz FAJWXWNQLBGRDR-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598588026 348995661 /nfs/dbraw/zinc/99/56/61/348995661.db2.gz XTGNHOLHKFIYOM-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CC1 ZINC000598588419 348995903 /nfs/dbraw/zinc/99/59/03/348995903.db2.gz LNAAXOUBARHCCL-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCCC1(C)C ZINC000598589655 348996479 /nfs/dbraw/zinc/99/64/79/348996479.db2.gz KIBPXZVBPAUPJR-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO CCC[C@@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598590269 348996519 /nfs/dbraw/zinc/99/65/19/348996519.db2.gz UJLRPOFGSPHEBD-NEPJUHHUSA-N 1 0 226.364 2.408 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCCC(C)(C)C1 ZINC000598592958 348998443 /nfs/dbraw/zinc/99/84/43/348998443.db2.gz OWVJHFLPWIJQDC-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H]([N@H+](C)C[C@H](O)CC(C)(C)C#N)C1(C)CC1 ZINC000598593845 348998589 /nfs/dbraw/zinc/99/85/89/348998589.db2.gz XEDOPWRXRPOEAP-VXGBXAGGSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@H]([N@H+](C)C[C@@H](O)CC(C)(C)C#N)C1(C)CC1 ZINC000598593844 348998685 /nfs/dbraw/zinc/99/86/85/348998685.db2.gz XEDOPWRXRPOEAP-RYUDHWBXSA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC(C)(C)C1 ZINC000598597561 348999483 /nfs/dbraw/zinc/99/94/83/348999483.db2.gz YRJSFEOPTXMOTL-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598612177 348999575 /nfs/dbraw/zinc/99/95/75/348999575.db2.gz ZZKZHLKTAXRKSF-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1C ZINC000598597480 348999707 /nfs/dbraw/zinc/99/97/07/348999707.db2.gz XSWBVWXZCSTMNR-IJLUTSLNSA-N 1 0 224.348 2.017 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598627627 349004331 /nfs/dbraw/zinc/00/43/31/349004331.db2.gz FWHYFCLHVHBJOB-VXGBXAGGSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598600222 349005393 /nfs/dbraw/zinc/00/53/93/349005393.db2.gz IPEHPGISUFGBCE-QJPTWQEYSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@H]1CCCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598602720 349006407 /nfs/dbraw/zinc/00/64/07/349006407.db2.gz BAPLGDQHSKMRMN-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](CCO)CSC)C1CC1 ZINC000121318955 349013421 /nfs/dbraw/zinc/01/34/21/349013421.db2.gz UUWDMEDTGYOWGM-STQMWFEESA-N 1 0 243.416 2.435 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000308872520 349021739 /nfs/dbraw/zinc/02/17/39/349021739.db2.gz LCRIXEBJSCKRLH-FHUSYTEZSA-N 1 0 204.317 2.457 20 30 BEEDRO CC[C@H](C)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703662 349022592 /nfs/dbraw/zinc/02/25/92/349022592.db2.gz CAEZNQYSWOFHCV-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO CCCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598704802 349023068 /nfs/dbraw/zinc/02/30/68/349023068.db2.gz UIAANSVIIAYMLZ-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO CC(C)[C@H](C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721834 349028224 /nfs/dbraw/zinc/02/82/24/349028224.db2.gz WXZPFLIDGAEWBG-VXGBXAGGSA-N 1 0 226.364 2.169 20 30 BEEDRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598723308 349028738 /nfs/dbraw/zinc/02/87/38/349028738.db2.gz GELFHBJMNGAPST-AAEUAGOBSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725237 349029000 /nfs/dbraw/zinc/02/90/00/349029000.db2.gz WGEMQQBKPJMDIF-VXGBXAGGSA-N 1 0 224.348 2.231 20 30 BEEDRO CCCC1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598725295 349029398 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CC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@@H]1O ZINC000599339286 349152397 /nfs/dbraw/zinc/15/23/97/349152397.db2.gz MKPGQIFFRXZWLL-HIFRSBDPSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1cc(C[NH2+]CCC2(CO)CC2)ccc1C#N ZINC000449579692 201975226 /nfs/dbraw/zinc/97/52/26/201975226.db2.gz IVXKYFRYKASMGC-UHFFFAOYSA-N 1 0 244.338 2.119 20 30 BEEDRO Cc1ccc(C[N@H+](CCO)CC2CC2)cc1C#N ZINC000599273812 349137624 /nfs/dbraw/zinc/13/76/24/349137624.db2.gz ULZUNCLHAATPEF-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)CC(=O)NC ZINC000449602645 201981875 /nfs/dbraw/zinc/98/18/75/201981875.db2.gz PFSXFVUDOOGEEI-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1C#N ZINC000599281077 349139710 /nfs/dbraw/zinc/13/97/10/349139710.db2.gz ORCSXBGZHNBXTK-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1C#N ZINC000599307784 349143229 /nfs/dbraw/zinc/14/32/29/349143229.db2.gz ZMCKVJPEJZVGGX-HNNXBMFYSA-N 1 0 244.338 2.069 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000599284302 349146067 /nfs/dbraw/zinc/14/60/67/349146067.db2.gz QCQWNMXTPRNYGG-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO CCO[C@H](C[NH2+][C@@H](CC)CC#N)C1CC1 ZINC000599437571 349177100 /nfs/dbraw/zinc/17/71/00/349177100.db2.gz PALFXXQYWWSKMD-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)[C@H](C)CO ZINC000599429767 349187694 /nfs/dbraw/zinc/18/76/94/349187694.db2.gz RVPOULBJTMOQHA-GFCCVEGCSA-N 1 0 232.327 2.069 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599345404 349153749 /nfs/dbraw/zinc/15/37/49/349153749.db2.gz PYWNPXAPHUKJQC-OCCSQVGLSA-N 1 0 244.338 2.392 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)c1ccccc1 ZINC000599345403 349154076 /nfs/dbraw/zinc/15/40/76/349154076.db2.gz PYWNPXAPHUKJQC-JSGCOSHPSA-N 1 0 244.338 2.392 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1C#N ZINC000599351725 349154907 /nfs/dbraw/zinc/15/49/07/349154907.db2.gz IGJINWKMSUKTJA-HNNXBMFYSA-N 1 0 244.338 2.214 20 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349240324 /nfs/dbraw/zinc/24/03/24/349240324.db2.gz KTDUETMXFBAAHJ-TXEJJXNPSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCOCCC#N ZINC000599628899 349231784 /nfs/dbraw/zinc/23/17/84/349231784.db2.gz VHEQJGQQBMQIAZ-SNVBAGLBSA-N 1 0 232.274 2.036 20 30 BEEDRO CC#CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000599654124 349235342 /nfs/dbraw/zinc/23/53/42/349235342.db2.gz LVJLCBCZYQCLRF-MELADBBJSA-N 1 0 249.354 2.063 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CCO)cc1C#N ZINC000599453133 349198932 /nfs/dbraw/zinc/19/89/32/349198932.db2.gz JSXLRBFJQIVKIZ-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(COC)CCC1 ZINC000308959568 349202735 /nfs/dbraw/zinc/20/27/35/349202735.db2.gz FOYGPFCMTOECAX-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)o2)C1 ZINC000599526634 349207683 /nfs/dbraw/zinc/20/76/83/349207683.db2.gz OGTNKARSZBMCLS-NSHDSACASA-N 1 0 249.310 2.464 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC000599646764 349240529 /nfs/dbraw/zinc/24/05/29/349240529.db2.gz LMSAMWHWSKRBAE-YPMHNXCESA-N 1 0 242.322 2.443 20 30 BEEDRO C=CCC[N@@H+]1[C@H](C)C[C@@H](C(=O)OC)C[C@@H]1C ZINC000599689148 349244423 /nfs/dbraw/zinc/24/44/23/349244423.db2.gz OECWBMSOFWESCJ-ZSBIGDGJSA-N 1 0 225.332 2.225 20 30 BEEDRO C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc(C#N)c1 ZINC000402046217 349266596 /nfs/dbraw/zinc/26/65/96/349266596.db2.gz NJRIQFRQFRLAFF-UHIISALHSA-N 1 0 230.311 2.386 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@](C)(OC)C1CC1 ZINC000308993663 349268728 /nfs/dbraw/zinc/26/87/28/349268728.db2.gz IZIMTYKJCQGOHM-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)CN(C)CCC ZINC000662174419 490255089 /nfs/dbraw/zinc/25/50/89/490255089.db2.gz AFYSIINSEMGSPA-CYBMUJFWSA-N 1 0 242.407 2.024 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]1OCC)C1CC1 ZINC000309046093 349402430 /nfs/dbraw/zinc/40/24/30/349402430.db2.gz ORTRYHPSNZPMNF-XQQFMLRXSA-N 1 0 209.333 2.498 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000601965136 349404093 /nfs/dbraw/zinc/40/40/93/349404093.db2.gz VKBWWDLKGABSLL-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000601968579 349405614 /nfs/dbraw/zinc/40/56/14/349405614.db2.gz OTVHDLVFGKWFNS-VXGBXAGGSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000185754925 349367339 /nfs/dbraw/zinc/36/73/39/349367339.db2.gz OPKIHXVDBQBLTQ-AAEUAGOBSA-N 1 0 215.300 2.254 20 30 BEEDRO C[NH2+]CCCOc1cc(Cl)ccc1C#N ZINC000309037993 349370302 /nfs/dbraw/zinc/37/03/02/349370302.db2.gz HPPBUCLRXAZOPT-UHFFFAOYSA-N 1 0 224.691 2.200 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000121857314 350013852 /nfs/dbraw/zinc/01/38/52/350013852.db2.gz LAHRDWAJTBZDID-BMIGLBTASA-N 1 0 223.341 2.261 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000121856867 350014448 /nfs/dbraw/zinc/01/44/48/350014448.db2.gz LAHRDWAJTBZDID-ZUZCIYMTSA-N 1 0 223.341 2.261 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc(F)c1C#N ZINC000602004485 349411775 /nfs/dbraw/zinc/41/17/75/349411775.db2.gz VMKITJDQSHTOLP-UHFFFAOYSA-N 1 0 231.274 2.481 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000602013785 349416094 /nfs/dbraw/zinc/41/60/94/349416094.db2.gz XDCXEWRTNOCTKH-HAQNSBGRSA-N 1 0 248.301 2.090 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnc(C)s1 ZINC000131393130 191012249 /nfs/dbraw/zinc/01/22/49/191012249.db2.gz NMPWEXKBAVKEIE-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C[C@H](C#N)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000070634798 350033563 /nfs/dbraw/zinc/03/35/63/350033563.db2.gz YDBDHSDLDKYDOY-SNVBAGLBSA-N 1 0 213.284 2.417 20 30 BEEDRO CC[NH+]1CCC(Nc2ccc(C#N)c(C)n2)CC1 ZINC000291644764 350095685 /nfs/dbraw/zinc/09/56/85/350095685.db2.gz NBJPMJRBNUEELO-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000402259426 350096360 /nfs/dbraw/zinc/09/63/60/350096360.db2.gz BNMCBUCRIVECGH-BXUZGUMPSA-N 1 0 230.311 2.020 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C#N)c(C)n1 ZINC000291740220 350130476 /nfs/dbraw/zinc/13/04/76/350130476.db2.gz YOBISOVLYUZUHQ-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000313502536 350159555 /nfs/dbraw/zinc/15/95/55/350159555.db2.gz LJCJQYQILJSCHS-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@]1(C)CCCS1 ZINC000392893659 350168168 /nfs/dbraw/zinc/16/81/68/350168168.db2.gz BSMSTGZZZAVKCE-LBPRGKRZSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427200748 191056469 /nfs/dbraw/zinc/05/64/69/191056469.db2.gz RXKXMBAQHZDYJE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000427195688 191056595 /nfs/dbraw/zinc/05/65/95/191056595.db2.gz BEONXFGORAUYMX-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365295541 350215961 /nfs/dbraw/zinc/21/59/61/350215961.db2.gz LIWCSDPDEPMERP-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000365295255 350217160 /nfs/dbraw/zinc/21/71/60/350217160.db2.gz LIWCSDPDEPMERP-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC#CCC[N@@H+](CCOC)Cc1ccco1 ZINC000155096648 191079070 /nfs/dbraw/zinc/07/90/70/191079070.db2.gz VMJHGFTYQVQPNH-UHFFFAOYSA-N 1 0 221.300 2.141 20 30 BEEDRO CO[C@@](C)(C[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000309239860 350214365 /nfs/dbraw/zinc/21/43/65/350214365.db2.gz KLZKZFDZYOHPNX-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@](C)(C[NH2+]CC1(CC#N)CC1)C1CC1 ZINC000309239859 350214542 /nfs/dbraw/zinc/21/45/42/350214542.db2.gz KLZKZFDZYOHPNX-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[N@H+](CCC[C@H](C)O)CCc1ccco1 ZINC000355298046 350239475 /nfs/dbraw/zinc/23/94/75/350239475.db2.gz WDHGBZNAAQMGGN-ZDUSSCGKSA-N 1 0 237.343 2.471 20 30 BEEDRO C=CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000365441337 350281175 /nfs/dbraw/zinc/28/11/75/350281175.db2.gz GDHFAOBUKVHDEQ-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@H]1CO ZINC000083642192 350265145 /nfs/dbraw/zinc/26/51/45/350265145.db2.gz GNRBMDSIBQOHRP-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000309246228 323331006 /nfs/dbraw/zinc/33/10/06/323331006.db2.gz ZHZGEZDVABCEGT-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO COC(C)(C)CC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336668633 350433039 /nfs/dbraw/zinc/43/30/39/350433039.db2.gz PIWCKBZCUFFICO-LLVKDONJSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[C@H](O)C(C)(C)C)C1CC1 ZINC000336669793 350434501 /nfs/dbraw/zinc/43/45/01/350434501.db2.gz WRDCVPLSROHFRA-JQWIXIFHSA-N 1 0 224.348 2.017 20 30 BEEDRO CO[C@H](C)C[N@H+](CCCCC#N)C(C)C ZINC000336648467 350417266 /nfs/dbraw/zinc/41/72/66/350417266.db2.gz OQOVPZBPEDJSRL-GFCCVEGCSA-N 1 0 212.337 2.426 20 30 BEEDRO C=C(C)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336649240 350418139 /nfs/dbraw/zinc/41/81/39/350418139.db2.gz QQEPHNNDDHHCGW-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@@H](O)CCC[N@H+](CCC#N)CC(C)(C)C ZINC000336650947 350419542 /nfs/dbraw/zinc/41/95/42/350419542.db2.gz FATOWODHJDAFPH-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO CC[C@@]1(C)COCC[N@@H+]1CCCSCC#N ZINC000336661497 350423952 /nfs/dbraw/zinc/42/39/52/350423952.db2.gz BTKWSFMVBWVLIX-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO COC(C)(C)CC[N@H+](CCC#N)CC1CC1 ZINC000336666832 350428265 /nfs/dbraw/zinc/42/82/65/350428265.db2.gz LLFNNAZZKLUJRU-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)(C#N)CCC[N@H+](CCO)CC1CC1 ZINC000336674268 350432454 /nfs/dbraw/zinc/43/24/54/350432454.db2.gz LOQVMNFKGKLEMS-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CCCC#N)C[C@@H]1C ZINC000336669139 350432837 /nfs/dbraw/zinc/43/28/37/350432837.db2.gz HVLJENHNCWLYBG-QWHCGFSZSA-N 1 0 223.364 2.095 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336687981 350444072 /nfs/dbraw/zinc/44/40/72/350444072.db2.gz YCBLZLKKOFBJGD-OLZOCXBDSA-N 1 0 222.332 2.039 20 30 BEEDRO N#CCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000336689516 350444998 /nfs/dbraw/zinc/44/49/98/350444998.db2.gz ZHZSDGRTFOWGJE-ZDUSSCGKSA-N 1 0 222.332 2.324 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000336698180 350452548 /nfs/dbraw/zinc/45/25/48/350452548.db2.gz IGBCPFJRTAZVST-RYUDHWBXSA-N 1 0 222.332 2.037 20 30 BEEDRO CC#CCC[N@@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000163147447 350508106 /nfs/dbraw/zinc/50/81/06/350508106.db2.gz KKITZNRSTGDPAE-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO C=CCCCCC[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000361565059 323355926 /nfs/dbraw/zinc/35/59/26/323355926.db2.gz OPGPFBLPOVKXBC-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C[C@H](O)C[N@@H+]1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000336783397 350512427 /nfs/dbraw/zinc/51/24/27/350512427.db2.gz LQIOQQKWJUWVQT-QEJZJMRPSA-N 1 0 244.338 2.139 20 30 BEEDRO C[C@H](O)C[N@@H+]1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000336783395 350512882 /nfs/dbraw/zinc/51/28/82/350512882.db2.gz LQIOQQKWJUWVQT-CFVMTHIKSA-N 1 0 244.338 2.139 20 30 BEEDRO CC(C)(C)[C@@H]1C[N@H+](CCCC#N)CCO1 ZINC000577503632 365971458 /nfs/dbraw/zinc/97/14/58/365971458.db2.gz MLYLTSVRJLLKPF-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO N#Cc1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)cc1 ZINC000054603347 1172130129 /nfs/dbraw/zinc/13/01/29/1172130129.db2.gz OPKNUSZVAOEUAY-OKILXGFUSA-N 1 0 240.306 2.254 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)ccc1OC ZINC000301761387 490584524 /nfs/dbraw/zinc/58/45/24/490584524.db2.gz IJFNRFSAIYCFBH-UHFFFAOYSA-N 1 0 235.327 2.296 20 30 BEEDRO CC#CCC[NH2+]Cc1cccc(COC)c1 ZINC000163417005 350520633 /nfs/dbraw/zinc/52/06/33/350520633.db2.gz FREOFPDOERVHDE-UHFFFAOYSA-N 1 0 217.312 2.336 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000577506993 365973037 /nfs/dbraw/zinc/97/30/37/365973037.db2.gz MVIUISPIXUWUDC-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CCSCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336644221 350548412 /nfs/dbraw/zinc/54/84/12/350548412.db2.gz AGAXDTUSHJQCLV-GHMZBOCLSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]2C2CCC2)C1=O ZINC000337121766 350557745 /nfs/dbraw/zinc/55/77/45/350557745.db2.gz ATZWMNGRMQBEMR-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CC(C)C)C1=O ZINC000337129897 350558580 /nfs/dbraw/zinc/55/85/80/350558580.db2.gz JFJJLOJSBKSBRG-OLZOCXBDSA-N 1 0 238.375 2.140 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H](CO)C2CCCCC2)o1 ZINC000386329426 362968433 /nfs/dbraw/zinc/96/84/33/362968433.db2.gz ZVURQHOCWFVEAC-CQSZACIVSA-N 1 0 248.326 2.182 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1cccc(F)c1 ZINC000289888400 350674754 /nfs/dbraw/zinc/67/47/54/350674754.db2.gz SKRPNTIXBIOXTN-CHWSQXEVSA-N 1 0 223.291 2.413 20 30 BEEDRO C[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC000034674467 350736001 /nfs/dbraw/zinc/73/60/01/350736001.db2.gz ZJSFNPTVZPGDNO-UHFFFAOYSA-N 1 0 216.284 2.031 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000125552444 350736178 /nfs/dbraw/zinc/73/61/78/350736178.db2.gz HHKWFVPMOZZRNN-UHFFFAOYSA-N 1 0 207.248 2.034 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000628312112 350812774 /nfs/dbraw/zinc/81/27/74/350812774.db2.gz OSHDRUVHAFFEFG-NSHDSACASA-N 1 0 249.358 2.307 20 30 BEEDRO C=CC[N@@H+](CCC(=O)OCC)C(C)(C)C ZINC000382496387 350846010 /nfs/dbraw/zinc/84/60/10/350846010.db2.gz KCVUVFBJWJSXQA-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000397587254 350930695 /nfs/dbraw/zinc/93/06/95/350930695.db2.gz HMXIVDCZISKZFZ-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C[NH2+]CCSCc1cc(C#N)ccc1F ZINC000382665220 350941419 /nfs/dbraw/zinc/94/14/19/350941419.db2.gz XKDKHDIAQXAKLU-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO C[NH2+]CCSCc1ccc(OC)c(C#N)c1 ZINC000382650775 350937623 /nfs/dbraw/zinc/93/76/23/350937623.db2.gz YUOXEVDDEXBKQA-UHFFFAOYSA-N 1 0 236.340 2.019 20 30 BEEDRO CC[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)OC ZINC000397831337 350976652 /nfs/dbraw/zinc/97/66/52/350976652.db2.gz WZFSNEBVHBBICF-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CS1 ZINC000397907591 350988430 /nfs/dbraw/zinc/98/84/30/350988430.db2.gz YGIZPZVSXAEJOX-VHSXEESVSA-N 1 0 210.346 2.164 20 30 BEEDRO CC(C)OCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397640727 350956367 /nfs/dbraw/zinc/95/63/67/350956367.db2.gz XQWSNEUVHLRDSL-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623569577 362997463 /nfs/dbraw/zinc/99/74/63/362997463.db2.gz MKNHUDRHMWUEFF-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO Cc1cccc(OCCN(C)C[C@H](C)C#N)c1 ZINC000070869807 351074313 /nfs/dbraw/zinc/07/43/13/351074313.db2.gz KFZQWGZDHOQENN-CYBMUJFWSA-N 1 0 232.327 2.465 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000289964293 351078902 /nfs/dbraw/zinc/07/89/02/351078902.db2.gz XBVPYRIMGCCHFF-WDMOLILDSA-N 1 0 217.312 2.371 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(C)CCCS1 ZINC000628318680 351087768 /nfs/dbraw/zinc/08/77/68/351087768.db2.gz PCDQPJHSZMHLIY-AVGNSLFASA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000336720802 351150443 /nfs/dbraw/zinc/15/04/43/351150443.db2.gz ZCRSNKQFZWGOKH-UHFFFAOYSA-N 1 0 233.237 2.484 20 30 BEEDRO CSCC[NH2+]Cc1cc(C#N)cs1 ZINC000086500130 351165507 /nfs/dbraw/zinc/16/55/07/351165507.db2.gz RSJNMEUZCCGQEY-UHFFFAOYSA-N 1 0 212.343 2.072 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1nccn1C ZINC000336719855 351144645 /nfs/dbraw/zinc/14/46/45/351144645.db2.gz ZHVMIGKMKQLLAA-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCCC[C@H]1CC ZINC000628352248 351315456 /nfs/dbraw/zinc/31/54/56/351315456.db2.gz BWHRSWVKJBJJAC-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO Cc1ccc(CN(C)C[C@@H](C)C#N)cc1[N+](=O)[O-] ZINC000271126724 351403090 /nfs/dbraw/zinc/40/30/90/351403090.db2.gz LJVSVOSUWTZTRU-JTQLQIEISA-N 1 0 247.298 2.495 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccn(C)n1 ZINC000623593173 363028958 /nfs/dbraw/zinc/02/89/58/363028958.db2.gz XHUSJYFBBFWLPC-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000386702630 363030640 /nfs/dbraw/zinc/03/06/40/363030640.db2.gz NJKQQLGBURRTAS-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CCc1cnccn1 ZINC000271413793 351416702 /nfs/dbraw/zinc/41/67/02/351416702.db2.gz ZHZSXQFAMXGQMN-UHFFFAOYSA-N 1 0 246.358 2.281 20 30 BEEDRO C=CC[N@H+](CCCSCC#N)C1CC1 ZINC000271458667 351418156 /nfs/dbraw/zinc/41/81/56/351418156.db2.gz PNFYMYHKTFYMDI-UHFFFAOYSA-N 1 0 210.346 2.284 20 30 BEEDRO C[C@@H](C#N)CN(C)C[C@H](O)CCc1ccccc1 ZINC000273244354 351513813 /nfs/dbraw/zinc/51/38/13/351513813.db2.gz USWHBKVDYIBRRB-DZGCQCFKSA-N 1 0 246.354 2.072 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@H](O)CCc1ccccc1 ZINC000273244359 351514171 /nfs/dbraw/zinc/51/41/71/351514171.db2.gz USWHBKVDYIBRRB-UKRRQHHQSA-N 1 0 246.354 2.072 20 30 BEEDRO CCC(N)=[NH+]OCc1c(F)cccc1F ZINC000272367084 351470789 /nfs/dbraw/zinc/47/07/89/351470789.db2.gz CZWSUNXWPZSQOR-UHFFFAOYSA-N 1 0 214.215 2.164 20 30 BEEDRO CCN(CCC#N)C[C@@H](O)CCc1ccccc1 ZINC000273360720 351523278 /nfs/dbraw/zinc/52/32/78/351523278.db2.gz WNNAVDCETJYHLD-HNNXBMFYSA-N 1 0 246.354 2.216 20 30 BEEDRO C[C@H](C[NH+]1CCN(CC#N)CC1)C1CCCCC1 ZINC000386890169 363058263 /nfs/dbraw/zinc/05/82/63/363058263.db2.gz XQRRSMYWMMXEER-CQSZACIVSA-N 1 0 249.402 2.344 20 30 BEEDRO Cc1c([C@H](C)[NH2+]CCC(C)(C)C#N)cnn1C ZINC000273405436 351527469 /nfs/dbraw/zinc/52/74/69/351527469.db2.gz NIXVDPMJEIYSTD-JTQLQIEISA-N 1 0 234.347 2.319 20 30 BEEDRO CCNC(=[NH2+])NCc1ccc(Cl)c(C)c1 ZINC000273466256 351531192 /nfs/dbraw/zinc/53/11/92/351531192.db2.gz ILGGORULCJLCKN-UHFFFAOYSA-N 1 0 225.723 2.073 20 30 BEEDRO C[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000273331889 351518594 /nfs/dbraw/zinc/51/85/94/351518594.db2.gz JTVVTSKRQSADMY-NSHDSACASA-N 1 0 231.343 2.199 20 30 BEEDRO C[C@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(F)cc1 ZINC000273340673 351519170 /nfs/dbraw/zinc/51/91/70/351519170.db2.gz MYDUOOFLZJBFKS-SNVBAGLBSA-N 1 0 249.333 2.338 20 30 BEEDRO COCc1cccc(CO[NH+]=C(N)C(C)C)c1 ZINC000274724011 351579751 /nfs/dbraw/zinc/57/97/51/351579751.db2.gz JAVLLWRNVCKJJX-UHFFFAOYSA-N 1 0 236.315 2.278 20 30 BEEDRO CC1(C)CCCN(CCCn2ccnc2)[C@@H]1C#N ZINC000277715152 351723752 /nfs/dbraw/zinc/72/37/52/351723752.db2.gz ITYMINVMLFPIDV-CYBMUJFWSA-N 1 0 246.358 2.287 20 30 BEEDRO CC(C)C(N)=[NH+]OCCc1ccccc1F ZINC000278174576 351749015 /nfs/dbraw/zinc/74/90/15/351749015.db2.gz SWDPBYUQMYGYBW-UHFFFAOYSA-N 1 0 224.279 2.313 20 30 BEEDRO CNC(=[NH2+])NCC1(c2ccc(C)c(C)c2)CCC1 ZINC000278678438 351776390 /nfs/dbraw/zinc/77/63/90/351776390.db2.gz IDDQHJBKHNEKAH-UHFFFAOYSA-N 1 0 245.370 2.259 20 30 BEEDRO CCn1cc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000278833011 351786487 /nfs/dbraw/zinc/78/64/87/351786487.db2.gz UEYYQYUKEKSGLP-WCQYABFASA-N 1 0 232.331 2.075 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H](C)[NH2+]CC ZINC000637930843 351806608 /nfs/dbraw/zinc/80/66/08/351806608.db2.gz ARTUCYMBBQXLHF-ZDUSSCGKSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCCN(C)Cc1ncnn1C(C)(C)C ZINC000282540097 351935042 /nfs/dbraw/zinc/93/50/42/351935042.db2.gz RICHWRHYTVWAGX-UHFFFAOYSA-N 1 0 222.336 2.041 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638008726 351885806 /nfs/dbraw/zinc/88/58/06/351885806.db2.gz WIHRNDOGEFTNCM-CYBMUJFWSA-N 1 0 236.359 2.239 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000336734210 351887866 /nfs/dbraw/zinc/88/78/66/351887866.db2.gz MZYUYACERJVOIO-RWMBFGLXSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)C(C)(C)n1cncn1 ZINC000638098187 351980060 /nfs/dbraw/zinc/98/00/60/351980060.db2.gz KJRDBLAASPEXHG-GFCCVEGCSA-N 1 0 236.363 2.300 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000285189658 352028091 /nfs/dbraw/zinc/02/80/91/352028091.db2.gz NPTXNRUJGXKTSY-SMDDNHRTSA-N 1 0 247.338 2.296 20 30 BEEDRO COCC[N@H+](CCCCC#N)Cc1ccccn1 ZINC000287308265 352121096 /nfs/dbraw/zinc/12/10/96/352121096.db2.gz JIHHTYBPRLPNKY-UHFFFAOYSA-N 1 0 247.342 2.224 20 30 BEEDRO C=CCCCCCCNC(=[NH2+])NCC=C ZINC000286907586 352107395 /nfs/dbraw/zinc/10/73/95/352107395.db2.gz PKXGNCYJIACWJT-UHFFFAOYSA-N 1 0 209.337 2.213 20 30 BEEDRO COCC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000618887128 352155611 /nfs/dbraw/zinc/15/56/11/352155611.db2.gz KAVXNZNKZHSCNU-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCc1ccc(O)cc1)[NH2+]CCC#N ZINC000020199745 352140842 /nfs/dbraw/zinc/14/08/42/352140842.db2.gz RKSWFQSISUIKJL-LLVKDONJSA-N 1 0 218.300 2.217 20 30 BEEDRO C=CC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000265221979 166341210 /nfs/dbraw/zinc/34/12/10/166341210.db2.gz NUXDFJVKQXUMLR-CQSZACIVSA-N 1 0 217.312 2.154 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CO)C/C=C/C)cc1 ZINC000289856035 352200846 /nfs/dbraw/zinc/20/08/46/352200846.db2.gz VRERIFSTLOIFHL-UJAVWCLSSA-N 1 0 229.323 2.085 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c1 ZINC000230670987 352219382 /nfs/dbraw/zinc/21/93/82/352219382.db2.gz JTLPXLZJERKRAP-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000638454901 352264252 /nfs/dbraw/zinc/26/42/52/352264252.db2.gz NNLCQROJPVFNIZ-QWRGUYRKSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000638453834 352266543 /nfs/dbraw/zinc/26/65/43/352266543.db2.gz AICFPXBQGWTPPS-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000638453864 352266929 /nfs/dbraw/zinc/26/69/29/352266929.db2.gz AYCIGFZBFFANPZ-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000638453870 352267036 /nfs/dbraw/zinc/26/70/36/352267036.db2.gz BEZIACGKLNNMOK-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000340360348 352248307 /nfs/dbraw/zinc/24/83/07/352248307.db2.gz JGIUDAJBCAPZAQ-MRVWCRGKSA-N 1 0 242.322 2.272 20 30 BEEDRO C#CCCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291815032 352289583 /nfs/dbraw/zinc/28/95/83/352289583.db2.gz NQUDMGMGUIFVJL-INIZCTEOSA-N 1 0 243.350 2.036 20 30 BEEDRO C=CCN(CCC#N)CCc1cccnc1 ZINC000292074405 352300682 /nfs/dbraw/zinc/30/06/82/352300682.db2.gz CXYXMBHCGLTKEM-UHFFFAOYSA-N 1 0 215.300 2.026 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)CCC#N)C[C@@H](C)O1 ZINC000411257217 191172251 /nfs/dbraw/zinc/17/22/51/191172251.db2.gz KDBCKGPTHGSVDR-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)CCC#N ZINC000411216728 191172492 /nfs/dbraw/zinc/17/24/92/191172492.db2.gz FOXYLBMIPFPAJN-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638503485 352326002 /nfs/dbraw/zinc/32/60/02/352326002.db2.gz RCDGOPIKYSLXIH-ZDUSSCGKSA-N 1 0 248.370 2.156 20 30 BEEDRO CCOC[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411299246 191176054 /nfs/dbraw/zinc/17/60/54/191176054.db2.gz AEMVMKUSEPHBKB-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1ncccc1C#N ZINC000044572316 352363542 /nfs/dbraw/zinc/36/35/42/352363542.db2.gz UIJHIIOOHWBTPS-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO COC(=O)C[C@@H]([NH2+]CCC#N)C1CCCCC1 ZINC000411519188 191190933 /nfs/dbraw/zinc/19/09/33/191190933.db2.gz RKGBBHZAFJNYQA-GFCCVEGCSA-N 1 0 238.331 2.002 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000411401039 191182872 /nfs/dbraw/zinc/18/28/72/191182872.db2.gz WAZOFCBAPIRIGE-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](C)CO ZINC000120726025 352398912 /nfs/dbraw/zinc/39/89/12/352398912.db2.gz KXTSBXMMCDDTHU-CYBMUJFWSA-N 1 0 246.354 2.397 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CC[C@H]1CCCO1 ZINC000411622133 191198897 /nfs/dbraw/zinc/19/88/97/191198897.db2.gz PKGZEINVSYNNQO-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000411725479 191208130 /nfs/dbraw/zinc/20/81/30/191208130.db2.gz FYMRGBHZGRITKD-NXEZZACHSA-N 1 0 232.274 2.240 20 30 BEEDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411659754 191201113 /nfs/dbraw/zinc/20/11/13/191201113.db2.gz QCPZMWHYEYKIKQ-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CCOC[C@H]([NH2+][C@H](C)CCC#N)C(C)C ZINC000411726458 191208323 /nfs/dbraw/zinc/20/83/23/191208323.db2.gz YDYJPAOODJIXSL-NEPJUHHUSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000411665024 191202799 /nfs/dbraw/zinc/20/27/99/191202799.db2.gz GNJVTWCFKBXJRZ-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H]1C[N@@H+]([C@@H](C)CCC#N)CCCO1 ZINC000411681217 191204501 /nfs/dbraw/zinc/20/45/01/191204501.db2.gz ZFRBNSJSKJVSKI-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[N@H+](C[C@@H](C)OC)CC1(CC#N)CC1 ZINC000383110998 352431380 /nfs/dbraw/zinc/43/13/80/352431380.db2.gz OOWOSLYPYRNDKC-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411540379 191192415 /nfs/dbraw/zinc/19/24/15/191192415.db2.gz GSNCTRMYZVNMMO-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCCC#N ZINC000411556129 191194384 /nfs/dbraw/zinc/19/43/84/191194384.db2.gz XLAUNLORBDXCIJ-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CCC#N)N(C)CC1([NH+](C)C)CCC1 ZINC000411605436 191195006 /nfs/dbraw/zinc/19/50/06/191195006.db2.gz HYGHKLWBLNPRRM-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCC#N ZINC000411558727 191195937 /nfs/dbraw/zinc/19/59/37/191195937.db2.gz MHYRZUHXYGKKIQ-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000411762706 191208611 /nfs/dbraw/zinc/20/86/11/191208611.db2.gz XPDCDHRTWJRWNW-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO COC[C@@]1(C)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411771383 191210366 /nfs/dbraw/zinc/21/03/66/191210366.db2.gz GGBUPABKPGDDQC-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000411806662 191213495 /nfs/dbraw/zinc/21/34/95/191213495.db2.gz WEMQDAPJROGGHJ-UHFFFAOYSA-N 1 0 244.338 2.282 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000411790880 191211448 /nfs/dbraw/zinc/21/14/48/191211448.db2.gz HEBCPFDUHIPBLU-XJFOESAGSA-N 1 0 236.359 2.304 20 30 BEEDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000388260370 352490066 /nfs/dbraw/zinc/49/00/66/352490066.db2.gz BEPCHECNQLFODT-XHDPSFHLSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638647253 352490942 /nfs/dbraw/zinc/49/09/42/352490942.db2.gz NAKBOSOEBFPGIB-YPMHNXCESA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cnccc1C ZINC000453371808 352546606 /nfs/dbraw/zinc/54/66/06/352546606.db2.gz UYVIVQBRBHQYPT-STQMWFEESA-N 1 0 234.343 2.368 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ccncn2)CC1 ZINC000411828083 191214553 /nfs/dbraw/zinc/21/45/53/191214553.db2.gz NOFCPIZNDUXBBN-LBPRGKRZSA-N 1 0 244.342 2.348 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C[C@@H]1C ZINC000411811781 191215394 /nfs/dbraw/zinc/21/53/94/191215394.db2.gz YVVRJSWSWVRQEV-SDDRHHMPSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000583481275 352552060 /nfs/dbraw/zinc/55/20/60/352552060.db2.gz QHEKMASERGVZSP-OLZOCXBDSA-N 1 0 211.349 2.483 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCC#N)C1(CO)CCCC1 ZINC000411815943 191213568 /nfs/dbraw/zinc/21/35/68/191213568.db2.gz KQJGPHBZQVISMI-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411882677 191226295 /nfs/dbraw/zinc/22/62/95/191226295.db2.gz APHJUQAVTVTGBH-KGLIPLIRSA-N 1 0 217.312 2.465 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411852486 191220507 /nfs/dbraw/zinc/22/05/07/191220507.db2.gz QXPUBEFCHYIIOM-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411852489 191221036 /nfs/dbraw/zinc/22/10/36/191221036.db2.gz QXPUBEFCHYIIOM-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO COC1([C@H](C)[NH2+]CCC(C)(C)C#N)CCC1 ZINC000412017965 191237315 /nfs/dbraw/zinc/23/73/15/191237315.db2.gz ARHYHOUYEHCQIQ-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO COC1([C@@H](C)[NH2+]CC2(C#N)CCC2)CCC1 ZINC000412020211 191237756 /nfs/dbraw/zinc/23/77/56/191237756.db2.gz HYKAJCUILGMWRA-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000336744009 352678515 /nfs/dbraw/zinc/67/85/15/352678515.db2.gz YSQOFPTVVITGBC-YNEHKIRRSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000638749469 352683703 /nfs/dbraw/zinc/68/37/03/352683703.db2.gz PUDNKJXBLNOJJJ-QWRGUYRKSA-N 1 0 220.316 2.185 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc(F)c1N ZINC000638756857 352686339 /nfs/dbraw/zinc/68/63/39/352686339.db2.gz DHLVVNBDFCVVHX-UHFFFAOYSA-N 1 0 238.306 2.090 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000341892835 352732004 /nfs/dbraw/zinc/73/20/04/352732004.db2.gz XDLHQCCYWIGXKG-CZUORRHYSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000336745686 352733095 /nfs/dbraw/zinc/73/30/95/352733095.db2.gz VVJJOZAAUCJKPP-RYUDHWBXSA-N 1 0 226.364 2.234 20 30 BEEDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)cc(C#N)n1 ZINC000308267326 352737169 /nfs/dbraw/zinc/73/71/69/352737169.db2.gz KIHNHBFTQVGSCQ-GFCCVEGCSA-N 1 0 244.342 2.015 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000336746802 352742854 /nfs/dbraw/zinc/74/28/54/352742854.db2.gz BZPPCVWOTGDEAC-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)C[C@H](CNCc1ccc(C#N)o1)[NH+](C)C ZINC000135144166 187872449 /nfs/dbraw/zinc/87/24/49/187872449.db2.gz GNXWUCSISLHBBF-GFCCVEGCSA-N 1 0 249.358 2.217 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1CCCCC1 ZINC000320330716 259427968 /nfs/dbraw/zinc/42/79/68/259427968.db2.gz YNAOPRIMPFLEIA-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000412067838 191250703 /nfs/dbraw/zinc/25/07/03/191250703.db2.gz MGUYMXCMNTXORN-CYBMUJFWSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000342810312 352861246 /nfs/dbraw/zinc/86/12/46/352861246.db2.gz XHQPKDVNOTWXJA-AVGNSLFASA-N 1 0 243.391 2.089 20 30 BEEDRO C=CCC(C)(C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000334262064 352894596 /nfs/dbraw/zinc/89/45/96/352894596.db2.gz UVGOGUGUPPNATK-RYUDHWBXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCOCC[NH2+]CC1CCSCC1 ZINC000638811853 352990386 /nfs/dbraw/zinc/99/03/86/352990386.db2.gz KTTDYTRQKGTKLQ-UHFFFAOYSA-N 1 0 229.389 2.312 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc(F)c1N ZINC000638812198 352990952 /nfs/dbraw/zinc/99/09/52/352990952.db2.gz SRBXWGASFVSTDC-UHFFFAOYSA-N 1 0 238.306 2.090 20 30 BEEDRO CN1CCN(CC2(C#N)CC2)Cc2ccccc21 ZINC000334318269 352948794 /nfs/dbraw/zinc/94/87/94/352948794.db2.gz RWABUDQFVTXTDB-UHFFFAOYSA-N 1 0 241.338 2.242 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cncc(OC)c1C ZINC000638908914 353071652 /nfs/dbraw/zinc/07/16/52/353071652.db2.gz AXFWYQDPYGVXIJ-UHFFFAOYSA-N 1 0 220.316 2.407 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000638864808 353038706 /nfs/dbraw/zinc/03/87/06/353038706.db2.gz BFBJLOGPDRPXME-NEPJUHHUSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](CC)[NH2+]C ZINC000638865451 353039000 /nfs/dbraw/zinc/03/90/00/353039000.db2.gz HVNRVZKJYOVHSF-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC1([NH3+])CCC1 ZINC000638876439 353042064 /nfs/dbraw/zinc/04/20/64/353042064.db2.gz ZSABECZLFOIAHT-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])CC(C)C ZINC000638876077 353042108 /nfs/dbraw/zinc/04/21/08/353042108.db2.gz YEXFHRCBZNMZQO-LBPRGKRZSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])C(C)C ZINC000638873478 353043787 /nfs/dbraw/zinc/04/37/87/353043787.db2.gz ALHABMWEKYPIPE-LLVKDONJSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC[C@H](C)[NH3+] ZINC000638874188 353044600 /nfs/dbraw/zinc/04/46/00/353044600.db2.gz GIHOSQMKSNVIBV-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCCSCC2)C1 ZINC000334430080 353105280 /nfs/dbraw/zinc/10/52/80/353105280.db2.gz ZQUGNLGYWPIEDW-MNOVXSKESA-N 1 0 210.346 2.118 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000164550488 353096345 /nfs/dbraw/zinc/09/63/45/353096345.db2.gz HTIIYHDBRDWYCD-CYBMUJFWSA-N 1 0 226.364 2.457 20 30 BEEDRO CCC[NH+](CCC)CCCNCCC#N ZINC000583495093 353119911 /nfs/dbraw/zinc/11/99/11/353119911.db2.gz PVBNLPDHDPRROA-UHFFFAOYSA-N 1 0 211.353 2.002 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2C#N)C1 ZINC000111238360 188059852 /nfs/dbraw/zinc/05/98/52/188059852.db2.gz ZYUBRRTVABUWPI-NSHDSACASA-N 1 0 247.317 2.451 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1csc(C)n1 ZINC000273384659 188089919 /nfs/dbraw/zinc/08/99/19/188089919.db2.gz CQBKVJNVRQUVDX-SCZZXKLOSA-N 1 0 226.345 2.039 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000272922876 188090413 /nfs/dbraw/zinc/09/04/13/188090413.db2.gz JDOXDYZUVIJWKI-ZBEGNZNMSA-N 1 0 235.352 2.098 20 30 BEEDRO C=C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000271878143 188090543 /nfs/dbraw/zinc/09/05/43/188090543.db2.gz BKWVUQYGHIZPBJ-GJZGRUSLSA-N 1 0 229.323 2.297 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(COC)cc1 ZINC000271141931 188090825 /nfs/dbraw/zinc/09/08/25/188090825.db2.gz PJHQJHWLDHKQOI-UHFFFAOYSA-N 1 0 217.312 2.288 20 30 BEEDRO C#CCC[N@@H+]1CCc2cc(F)ccc2C1 ZINC000271096394 188091029 /nfs/dbraw/zinc/09/10/29/188091029.db2.gz LQYXNIAMSAEYMT-UHFFFAOYSA-N 1 0 203.260 2.207 20 30 BEEDRO C#CC[C@H]([NH2+]CCOCCOC)c1ccccc1 ZINC000271749385 188091045 /nfs/dbraw/zinc/09/10/45/188091045.db2.gz XEYFOPLPRTVBAY-HNNXBMFYSA-N 1 0 247.338 2.004 20 30 BEEDRO CC#CCC[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000274093910 188091273 /nfs/dbraw/zinc/09/12/73/188091273.db2.gz QONYOXCWEXTZAM-UHFFFAOYSA-N 1 0 217.316 2.003 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000336760307 353171898 /nfs/dbraw/zinc/17/18/98/353171898.db2.gz MDZBEGJMGRZHEO-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2ncccc2c1 ZINC000273526051 188091970 /nfs/dbraw/zinc/09/19/70/188091970.db2.gz UFWMBLUHESPDFO-AWEZNQCLSA-N 1 0 242.322 2.261 20 30 BEEDRO C#CC[C@H]([NH2+]CCC1OCCO1)c1ccccc1 ZINC000274437838 188092331 /nfs/dbraw/zinc/09/23/31/188092331.db2.gz IHZQJPMSRINDLD-AWEZNQCLSA-N 1 0 245.322 2.104 20 30 BEEDRO C=C(Cl)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000264999178 188087335 /nfs/dbraw/zinc/08/73/35/188087335.db2.gz IHQIBCDEDYELSQ-JTQLQIEISA-N 1 0 243.734 2.014 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000265422286 188088599 /nfs/dbraw/zinc/08/85/99/188088599.db2.gz JLMRRNISMFSNGP-ZDUSSCGKSA-N 1 0 232.327 2.055 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000268281699 188088720 /nfs/dbraw/zinc/08/87/20/188088720.db2.gz PIGLWZUVUUUTOE-STQMWFEESA-N 1 0 233.311 2.191 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000330837415 353185375 /nfs/dbraw/zinc/18/53/75/353185375.db2.gz MCUJXAXDQOOJTN-MJBXVCDLSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000178300731 188166121 /nfs/dbraw/zinc/16/61/21/188166121.db2.gz PZQAAKYFSMIMJY-OAHLLOKOSA-N 1 0 244.338 2.464 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000185319327 188170459 /nfs/dbraw/zinc/17/04/59/188170459.db2.gz ZIBKBIIYOMJSSI-OAHLLOKOSA-N 1 0 246.354 2.397 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)cc1 ZINC000189928673 188172465 /nfs/dbraw/zinc/17/24/65/188172465.db2.gz UKEVUNCJCRGBPH-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO CC(C)[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)O ZINC000264449990 188194763 /nfs/dbraw/zinc/19/47/63/188194763.db2.gz MYYRWSSPDSEYEJ-LBPRGKRZSA-N 1 0 232.327 2.149 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]Cc1cc(C#N)cs1 ZINC000165223825 353249712 /nfs/dbraw/zinc/24/97/12/353249712.db2.gz QMDIKMOINLQXIL-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000336763834 353250839 /nfs/dbraw/zinc/25/08/39/353250839.db2.gz PQZBKKJHGWQTOQ-CHWSQXEVSA-N 1 0 210.365 2.273 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C#N ZINC000331307429 353243971 /nfs/dbraw/zinc/24/39/71/353243971.db2.gz BCUISYWAJALONZ-RWMBFGLXSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000127514746 353271032 /nfs/dbraw/zinc/27/10/32/353271032.db2.gz RCCXQNNOUNLTFM-RYUDHWBXSA-N 1 0 240.416 2.120 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336768076 353277583 /nfs/dbraw/zinc/27/75/83/353277583.db2.gz UIOOUUOAIKQTMH-JHJVBQTASA-N 1 0 209.333 2.357 20 30 BEEDRO CC(C)[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000284446446 188206987 /nfs/dbraw/zinc/20/69/87/188206987.db2.gz ZSYFBZMANXAPOB-CQSZACIVSA-N 1 0 232.327 2.007 20 30 BEEDRO C#CCCOc1ccc(C[N@@H+](C)CCOC)cc1 ZINC000127148086 353263365 /nfs/dbraw/zinc/26/33/65/353263365.db2.gz CKMOWOCGCWNLPS-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO CC(C)C[C@@H](CNc1cc(C#N)ccn1)[NH+](C)C ZINC000286107566 188207896 /nfs/dbraw/zinc/20/78/96/188207896.db2.gz LMCXIBUZPKYFTR-ZDUSSCGKSA-N 1 0 246.358 2.341 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000336768522 353283208 /nfs/dbraw/zinc/28/32/08/353283208.db2.gz QWWLCGLCNXYYLR-IRCOFANPSA-N 1 0 225.332 2.128 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000251778976 353286038 /nfs/dbraw/zinc/28/60/38/353286038.db2.gz RMQQIXKZMBIOOP-WDMOLILDSA-N 1 0 217.378 2.040 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CCCC1 ZINC000336769560 353290513 /nfs/dbraw/zinc/29/05/13/353290513.db2.gz VTJVRTAMEZZGDP-AAEUAGOBSA-N 1 0 209.333 2.500 20 30 BEEDRO CC(C)C[C@@H](CNCc1ccc(C#N)o1)[NH+](C)C ZINC000135144149 188223287 /nfs/dbraw/zinc/22/32/87/188223287.db2.gz GNXWUCSISLHBBF-LBPRGKRZSA-N 1 0 249.358 2.217 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccco1 ZINC000336770194 353299963 /nfs/dbraw/zinc/29/99/63/353299963.db2.gz WIZQPVUUUFELBU-QWRGUYRKSA-N 1 0 209.289 2.115 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000336770888 353302921 /nfs/dbraw/zinc/30/29/21/353302921.db2.gz XCKVYJMFTAEMMW-QWRGUYRKSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000252741076 353302957 /nfs/dbraw/zinc/30/29/57/353302957.db2.gz KSONQBUXLRIFCJ-WUHRBBMRSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccn(C)n1 ZINC000336770886 353303022 /nfs/dbraw/zinc/30/30/22/353303022.db2.gz XCKVYJMFTAEMMW-MNOVXSKESA-N 1 0 207.321 2.110 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000162996328 353334608 /nfs/dbraw/zinc/33/46/08/353334608.db2.gz YRSOEKCEPHUROX-TZMCWYRMSA-N 1 0 247.313 2.192 20 30 BEEDRO C=CCCC(=O)Nc1ccccc1C[NH2+]C ZINC000054400793 353334657 /nfs/dbraw/zinc/33/46/57/353334657.db2.gz PGIMIMFLIFZQIP-UHFFFAOYSA-N 1 0 218.300 2.311 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129342662 353314009 /nfs/dbraw/zinc/31/40/09/353314009.db2.gz HKOXDDPGHANIDV-QWHCGFSZSA-N 1 0 240.416 2.122 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253103120 353317036 /nfs/dbraw/zinc/31/70/36/353317036.db2.gz YLJWKQGDDFRYMQ-KFWWJZLASA-N 1 0 235.371 2.415 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000162561853 353327152 /nfs/dbraw/zinc/32/71/52/353327152.db2.gz ICUAGAZVKFIZJG-AWEZNQCLSA-N 1 0 242.366 2.262 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130877046 353360206 /nfs/dbraw/zinc/36/02/06/353360206.db2.gz RMQQIXKZMBIOOP-UHIISALHSA-N 1 0 217.378 2.040 20 30 BEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000130995056 353362332 /nfs/dbraw/zinc/36/23/32/353362332.db2.gz NXODDKLNABEBMX-NSHDSACASA-N 1 0 248.326 2.065 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(CO)cc2)C1 ZINC000619673306 363216696 /nfs/dbraw/zinc/21/66/96/363216696.db2.gz CXUOPQIFYCRUKD-CABCVRRESA-N 1 0 244.338 2.003 20 30 BEEDRO C[C@H]1CSCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000190402305 353394396 /nfs/dbraw/zinc/39/43/96/353394396.db2.gz UMFPLLSQEZUTHX-NEPJUHHUSA-N 1 0 237.372 2.115 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1ccccn1 ZINC000090883670 353395148 /nfs/dbraw/zinc/39/51/48/353395148.db2.gz ZWVXYNXLTMHGCG-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CC[N@@H+](C)Cc1cncc(OC)c1C ZINC000639067886 353378344 /nfs/dbraw/zinc/37/83/44/353378344.db2.gz NKVVSPDDMSKGGP-UHFFFAOYSA-N 1 0 206.289 2.016 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000290018786 353379797 /nfs/dbraw/zinc/37/97/97/353379797.db2.gz ZKUJDPPLQUHJDE-NSHDSACASA-N 1 0 245.244 2.342 20 30 BEEDRO C=C(C)CN1CCSC[C@@H]1c1cnn(C)c1 ZINC000191177869 353441977 /nfs/dbraw/zinc/44/19/77/353441977.db2.gz GKCVXZMDOIBHEQ-GFCCVEGCSA-N 1 0 237.372 2.086 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000181883157 353444333 /nfs/dbraw/zinc/44/43/33/353444333.db2.gz AHWFUCIZFMLREA-GFCCVEGCSA-N 1 0 242.326 2.494 20 30 BEEDRO CC(C)[N@H+](CC1(C#N)CC1)C1CCOCC1 ZINC000343300599 353446771 /nfs/dbraw/zinc/44/67/71/353446771.db2.gz IDOAJYWHOIALOX-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C)C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000336774849 353433994 /nfs/dbraw/zinc/43/39/94/353433994.db2.gz ZYAMYFQBVBOZFG-MRVPVSSYSA-N 1 0 221.329 2.150 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000134507830 353494645 /nfs/dbraw/zinc/49/46/45/353494645.db2.gz LWSJWSZWVAHFEO-HNNXBMFYSA-N 1 0 231.339 2.283 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+][C@H](CC)CC#N)[C@H]1SC ZINC000336777172 353482593 /nfs/dbraw/zinc/48/25/93/353482593.db2.gz HPFDHPMQIGUUQZ-WRWGMCAJSA-N 1 0 242.388 2.177 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](CC)CC#N)[C@H]1SC ZINC000336777171 353482703 /nfs/dbraw/zinc/48/27/03/353482703.db2.gz HPFDHPMQIGUUQZ-NNYUYHANSA-N 1 0 242.388 2.177 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc2cnccn12 ZINC000093533562 353489984 /nfs/dbraw/zinc/48/99/84/353489984.db2.gz KWTGGOWGEGTDLV-UHFFFAOYSA-N 1 0 230.315 2.127 20 30 BEEDRO C=CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282546036 353476421 /nfs/dbraw/zinc/47/64/21/353476421.db2.gz WOCDWUXOUBRROF-UHFFFAOYSA-N 1 0 220.272 2.255 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000282617987 353478433 /nfs/dbraw/zinc/47/84/33/353478433.db2.gz ZNMOTRMMAYROBC-UHFFFAOYSA-N 1 0 224.235 2.352 20 30 BEEDRO C=CCCN(C)[C@@H](C)c1nnc(C)s1 ZINC000282468247 353479615 /nfs/dbraw/zinc/47/96/15/353479615.db2.gz KMXUEUUAXSQMDQ-QMMMGPOBSA-N 1 0 211.334 2.415 20 30 BEEDRO C=CCC[N@H+]1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000284005376 353508300 /nfs/dbraw/zinc/50/83/00/353508300.db2.gz DTRMHBGNXKOKGU-INIZCTEOSA-N 1 0 244.382 2.421 20 30 BEEDRO C=CC[NH+](CC=C)CCc1cscn1 ZINC000284316252 353511030 /nfs/dbraw/zinc/51/10/30/353511030.db2.gz PLJZWYPBTNVGDY-UHFFFAOYSA-N 1 0 208.330 2.360 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccco1 ZINC000285890304 353547961 /nfs/dbraw/zinc/54/79/61/353547961.db2.gz CFSJYHWVXIZHRV-NWDGAFQWSA-N 1 0 248.326 2.107 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)[C@H](CO)SC ZINC000228612797 353527151 /nfs/dbraw/zinc/52/71/51/353527151.db2.gz ZCOLKLPTABTZIM-AXFHLTTASA-N 1 0 217.378 2.043 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000228613098 353527839 /nfs/dbraw/zinc/52/78/39/353527839.db2.gz CTBWYURPIXEPJV-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO COCCC[N@H+](C)CC#Cc1ccccc1 ZINC000191965079 353529000 /nfs/dbraw/zinc/52/90/00/353529000.db2.gz YEZJZJIJYBLABS-UHFFFAOYSA-N 1 0 217.312 2.006 20 30 BEEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000192013509 353531806 /nfs/dbraw/zinc/53/18/06/353531806.db2.gz FBAOOSDHHWFUHK-HOCLYGCPSA-N 1 0 243.350 2.273 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000192006787 353531863 /nfs/dbraw/zinc/53/18/63/353531863.db2.gz RAIHJUYKZZSWDU-STQMWFEESA-N 1 0 246.354 2.185 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000192024408 353532177 /nfs/dbraw/zinc/53/21/77/353532177.db2.gz FDPSHPGADYWBEE-MRXNPFEDSA-N 1 0 243.350 2.397 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CCOC1 ZINC000192058586 353534126 /nfs/dbraw/zinc/53/41/26/353534126.db2.gz QPHAUCCESIUTIR-OAHLLOKOSA-N 1 0 229.323 2.006 20 30 BEEDRO CO[C@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000285508281 353544855 /nfs/dbraw/zinc/54/48/55/353544855.db2.gz DFPTZOXUNZTTMQ-GFCCVEGCSA-N 1 0 235.302 2.144 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000285508283 353545033 /nfs/dbraw/zinc/54/50/33/353545033.db2.gz DFPTZOXUNZTTMQ-LBPRGKRZSA-N 1 0 235.302 2.144 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](CC)c1nccn1C ZINC000183397608 353546694 /nfs/dbraw/zinc/54/66/94/353546694.db2.gz OMHCWJOZXCGCAI-LBPRGKRZSA-N 1 0 237.347 2.054 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1CCSCC1 ZINC000639098429 353500094 /nfs/dbraw/zinc/50/00/94/353500094.db2.gz AZELYOCMAOBMFE-UHFFFAOYSA-N 1 0 229.389 2.264 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)C[C@@H](C)O ZINC000192971197 353576609 /nfs/dbraw/zinc/57/66/09/353576609.db2.gz UKZWEQJNVIZKIW-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CCOc1cccc(NC(=O)CC[C@H](C)[NH3+])c1 ZINC000193216015 353577306 /nfs/dbraw/zinc/57/73/06/353577306.db2.gz XCJWOKOYEUTKIJ-NSHDSACASA-N 1 0 248.326 2.317 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)Cc1ccccc1 ZINC000193175856 353582912 /nfs/dbraw/zinc/58/29/12/353582912.db2.gz OJPVHSGVPMVHRA-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287842764 353589186 /nfs/dbraw/zinc/58/91/86/353589186.db2.gz QSZRWWJQSRBQGQ-AWEZNQCLSA-N 1 0 232.327 2.249 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287842769 353589301 /nfs/dbraw/zinc/58/93/01/353589301.db2.gz QSZRWWJQSRBQGQ-CQSZACIVSA-N 1 0 232.327 2.249 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287889314 353593074 /nfs/dbraw/zinc/59/30/74/353593074.db2.gz UCIXHLUWUPIHFO-ZDUSSCGKSA-N 1 0 239.746 2.361 20 30 BEEDRO C#CC[N@@H+](CCCCCO)Cc1ccccc1 ZINC000285781950 353550577 /nfs/dbraw/zinc/55/05/77/353550577.db2.gz SOSZOQOIFGPZDM-UHFFFAOYSA-N 1 0 231.339 2.284 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(F)cn1 ZINC000286194358 353552739 /nfs/dbraw/zinc/55/27/39/353552739.db2.gz PUVBBODYBIHKDF-UHFFFAOYSA-N 1 0 206.264 2.064 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2(CO)CCCCC2)c1 ZINC000053095919 353555126 /nfs/dbraw/zinc/55/51/26/353555126.db2.gz ZIFNKZNTICLVKN-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO C#CC(C)(C)N(C)Cc1ccn(C(C)C)n1 ZINC000286399075 353560449 /nfs/dbraw/zinc/56/04/49/353560449.db2.gz ZXVKAAOPUPDQDN-UHFFFAOYSA-N 1 0 219.332 2.308 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+][C@@H](CC)CC#N ZINC000336780326 353573139 /nfs/dbraw/zinc/57/31/39/353573139.db2.gz QYCHQAINGYNINV-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H](CC)CC#N ZINC000336780327 353573417 /nfs/dbraw/zinc/57/34/17/353573417.db2.gz QYCHQAINGYNINV-XQQFMLRXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000289659743 353624068 /nfs/dbraw/zinc/62/40/68/353624068.db2.gz GQZZNHCUKSHXLL-SGMGOOAPSA-N 1 0 249.354 2.324 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000289652558 353624898 /nfs/dbraw/zinc/62/48/98/353624898.db2.gz GIBNAENIMQAGKC-PRHODGIISA-N 1 0 239.265 2.089 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000289651859 353624902 /nfs/dbraw/zinc/62/49/02/353624902.db2.gz LOQWYHGZJZRRLJ-DOMZBBRYSA-N 1 0 229.323 2.183 20 30 BEEDRO C#CC[N@H+](CC)CCCc1cnccc1C ZINC000289369302 353625932 /nfs/dbraw/zinc/62/59/32/353625932.db2.gz OYEUEPOKKUHUTF-UHFFFAOYSA-N 1 0 216.328 2.278 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000289675431 353626015 /nfs/dbraw/zinc/62/60/15/353626015.db2.gz HMKPNDVZFMAGCS-DGCLKSJQSA-N 1 0 242.322 2.432 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](COC)Cc1ccccc1)C(C)C ZINC000289388155 353626999 /nfs/dbraw/zinc/62/69/99/353626999.db2.gz NGWQAQOAQXJSLD-JKSUJKDBSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@H]([NH2+][C@H](COC)Cc1ccccc1)C(C)C ZINC000289388151 353627737 /nfs/dbraw/zinc/62/77/37/353627737.db2.gz NGWQAQOAQXJSLD-HOTGVXAUSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000289390561 353627881 /nfs/dbraw/zinc/62/78/81/353627881.db2.gz NMBCJIRIIYFFNU-ZDUSSCGKSA-N 1 0 217.312 2.448 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccnn1-c1ccccc1C ZINC000289399384 353627893 /nfs/dbraw/zinc/62/78/93/353627893.db2.gz OMEFIJMGUGUSIP-CYBMUJFWSA-N 1 0 239.322 2.292 20 30 BEEDRO C[C@@](CO)([NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000343313411 353627952 /nfs/dbraw/zinc/62/79/52/353627952.db2.gz HQMZELLUNSFYAS-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C#CCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289435406 353628760 /nfs/dbraw/zinc/62/87/60/353628760.db2.gz JOZVBYKADVPYJY-OAHLLOKOSA-N 1 0 240.350 2.147 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(COCCOC)cc1 ZINC000289508963 353630241 /nfs/dbraw/zinc/63/02/41/353630241.db2.gz DAIJVNSCLWALAK-UHFFFAOYSA-N 1 0 249.354 2.467 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000289584240 353632863 /nfs/dbraw/zinc/63/28/63/353632863.db2.gz UETSMIOGKZXUGA-SECBINFHSA-N 1 0 225.238 2.399 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000289609748 353633146 /nfs/dbraw/zinc/63/31/46/353633146.db2.gz VQMBVZNVPSVRBF-LLVKDONJSA-N 1 0 245.322 2.443 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000289776603 353635099 /nfs/dbraw/zinc/63/50/99/353635099.db2.gz MKQRNRLILJFRFL-WCQYABFASA-N 1 0 235.327 2.288 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000289765786 353635103 /nfs/dbraw/zinc/63/51/03/353635103.db2.gz LVTWQYLYVYDERC-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000289807090 353636547 /nfs/dbraw/zinc/63/65/47/353636547.db2.gz OHDVAWUWRJAYJC-RISCZKNCSA-N 1 0 237.318 2.283 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000184261495 353637536 /nfs/dbraw/zinc/63/75/36/353637536.db2.gz YILFDYPMCUYZKE-GVXVVHGQSA-N 1 0 235.327 2.430 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000184261507 353637654 /nfs/dbraw/zinc/63/76/54/353637654.db2.gz YILFDYPMCUYZKE-NTZNESFSSA-N 1 0 235.327 2.430 20 30 BEEDRO C#CC[N@H+](Cc1ccc(C#C)cc1)C1CC1 ZINC000289865004 353640747 /nfs/dbraw/zinc/64/07/47/353640747.db2.gz VZNPCFVTHBSWHA-UHFFFAOYSA-N 1 0 209.292 2.266 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000289915624 353642880 /nfs/dbraw/zinc/64/28/80/353642880.db2.gz UNYPTOCZGBIASZ-OCCSQVGLSA-N 1 0 248.370 2.340 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)cc1 ZINC000289903717 353643289 /nfs/dbraw/zinc/64/32/89/353643289.db2.gz XQGWZHLMGZSOTE-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000289903448 353643447 /nfs/dbraw/zinc/64/34/47/353643447.db2.gz NORXIGNEZFXQLQ-ZDUSSCGKSA-N 1 0 219.332 2.405 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(c2ccccc2C)C1 ZINC000289941082 353643693 /nfs/dbraw/zinc/64/36/93/353643693.db2.gz VYGJVFZPEBYNLB-ROKHWSDSSA-N 1 0 231.339 2.378 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290024850 353646242 /nfs/dbraw/zinc/64/62/42/353646242.db2.gz VIHREUJZRDGSJS-GFCCVEGCSA-N 1 0 205.305 2.014 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(C)(C)N(C)C)cc1 ZINC000290062546 353647446 /nfs/dbraw/zinc/64/74/46/353647446.db2.gz KKWGAJQVYCTXNO-UHFFFAOYSA-N 1 0 230.355 2.098 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000290086474 353648304 /nfs/dbraw/zinc/64/83/04/353648304.db2.gz ZHODWGYXKONEJF-LBPRGKRZSA-N 1 0 205.305 2.014 20 30 BEEDRO C=CC[N@@H+](Cc1cncc(OC)c1)C1CC1 ZINC000290109509 353648950 /nfs/dbraw/zinc/64/89/50/353648950.db2.gz YFMTWHGJNFIMRP-UHFFFAOYSA-N 1 0 218.300 2.241 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000290213393 353651493 /nfs/dbraw/zinc/65/14/93/353651493.db2.gz HJSYEVZAOCUVPQ-LNSITVRQSA-N 1 0 247.338 2.425 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](OC)C2)cc1 ZINC000288972035 353615709 /nfs/dbraw/zinc/61/57/09/353615709.db2.gz BRZDKFRUFQNNLB-HNNXBMFYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(O)CCCC2)cc1 ZINC000290406205 353662520 /nfs/dbraw/zinc/66/25/20/353662520.db2.gz PTZAUCBPOOZGPH-UHFFFAOYSA-N 1 0 229.323 2.063 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000231934931 353672142 /nfs/dbraw/zinc/67/21/42/353672142.db2.gz ZYSNMYLVPDGXJY-LBPRGKRZSA-N 1 0 249.379 2.279 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)CN(C)C(C)C)cc1 ZINC000291587252 353691091 /nfs/dbraw/zinc/69/10/91/353691091.db2.gz PKMXPUVAAHEECG-CQSZACIVSA-N 1 0 244.382 2.486 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)cc1 ZINC000290315930 353654748 /nfs/dbraw/zinc/65/47/48/353654748.db2.gz JDDKGYIBIYTNPP-WKILWMFISA-N 1 0 243.350 2.309 20 30 BEEDRO CC#CCC[N@@H+]1CCn2cccc2[C@H]1C ZINC000184965296 353733827 /nfs/dbraw/zinc/73/38/27/353733827.db2.gz SSHTZTJTVGYBGE-GFCCVEGCSA-N 1 0 202.301 2.278 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348233733 366101260 /nfs/dbraw/zinc/10/12/60/366101260.db2.gz VBLQPVMKQCCCKT-RKDXNWHRSA-N 1 0 205.248 2.312 20 30 BEEDRO C=C(C)CN(CC)Cc1nn(CC)nc1C ZINC000294547328 353782761 /nfs/dbraw/zinc/78/27/61/353782761.db2.gz JYVZKCSTSTZRDZ-UHFFFAOYSA-N 1 0 222.336 2.004 20 30 BEEDRO C#CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293296906 353739870 /nfs/dbraw/zinc/73/98/70/353739870.db2.gz PFFBGDHGPYVYHO-UHFFFAOYSA-N 1 0 247.313 2.140 20 30 BEEDRO C=CCOCCN1CCO[C@@H](c2ccccc2)C1 ZINC000293336337 353741696 /nfs/dbraw/zinc/74/16/96/353741696.db2.gz CZANKIWZDWBZLM-OAHLLOKOSA-N 1 0 247.338 2.263 20 30 BEEDRO CC#CC[N@@H+](C)CCc1ccc(OC)cc1 ZINC000293338783 353741803 /nfs/dbraw/zinc/74/18/03/353741803.db2.gz YNBJOYCKSLYZJL-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO C=CCOCC[N@@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000293434876 353743798 /nfs/dbraw/zinc/74/37/98/353743798.db2.gz BLUBBTXDYVJURE-CYBMUJFWSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cccc(OC)c1 ZINC000293477884 353745729 /nfs/dbraw/zinc/74/57/29/353745729.db2.gz MFYOSTLQJXSJIN-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@@H](C)CCO)cc1 ZINC000295116705 353801450 /nfs/dbraw/zinc/80/14/50/353801450.db2.gz MMLZWNDUVOAKEU-CYBMUJFWSA-N 1 0 231.339 2.166 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1csc(C)c1 ZINC000297170097 353840395 /nfs/dbraw/zinc/84/03/95/353840395.db2.gz DJQKFQPOPINOBG-GXSJLCMTSA-N 1 0 211.330 2.254 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1nccnc1OC ZINC000295989256 353814435 /nfs/dbraw/zinc/81/44/35/353814435.db2.gz KCPIENQPXMNVHV-UHFFFAOYSA-N 1 0 235.331 2.177 20 30 BEEDRO C#CCCCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185574039 353817821 /nfs/dbraw/zinc/81/78/21/353817821.db2.gz KXXZMBNBSJRCST-UHFFFAOYSA-N 1 0 221.275 2.424 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccco1 ZINC000296096940 353818135 /nfs/dbraw/zinc/81/81/35/353818135.db2.gz YNFHQXOCLKRKDI-GRYCIOLGSA-N 1 0 221.300 2.400 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000296129606 353818771 /nfs/dbraw/zinc/81/87/71/353818771.db2.gz UIHRRBSYGICCCG-TVQRCGJNSA-N 1 0 241.281 2.205 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)NC)cc1 ZINC000066951111 353823155 /nfs/dbraw/zinc/82/31/55/353823155.db2.gz VNOPGGOIIHVGSC-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000639132153 353841313 /nfs/dbraw/zinc/84/13/13/353841313.db2.gz GGAFLNZIUZOBLJ-NSHDSACASA-N 1 0 248.326 2.297 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000185644200 353826155 /nfs/dbraw/zinc/82/61/55/353826155.db2.gz KHLMEZYCGUVMEY-NSHDSACASA-N 1 0 249.310 2.075 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CCOC)c1ccco1 ZINC000294751318 353787846 /nfs/dbraw/zinc/78/78/46/353787846.db2.gz XQPHTWNOWWFUGM-LBPRGKRZSA-N 1 0 239.315 2.149 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000320712342 353795695 /nfs/dbraw/zinc/79/56/95/353795695.db2.gz HDSKSTBLTUMFIA-CVEARBPZSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@@H]21 ZINC000366831785 353895217 /nfs/dbraw/zinc/89/52/17/353895217.db2.gz OBCIKTLNDJTQRQ-HZSPNIEDSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCCC[N@H+]1CCO[C@@H]2CC[C@@H](OC)C[C@H]21 ZINC000366831787 353895228 /nfs/dbraw/zinc/89/52/28/353895228.db2.gz OBCIKTLNDJTQRQ-MGPQQGTHSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)C1CCOCC1 ZINC000343379393 353874806 /nfs/dbraw/zinc/87/48/06/353874806.db2.gz BPSBZIUHLCABTQ-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)CCC1 ZINC000336264792 181028590 /nfs/dbraw/zinc/02/85/90/181028590.db2.gz OHHGFUMUAQXHLF-OLZOCXBDSA-N 1 0 234.343 2.324 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)CCC1 ZINC000336264794 181028687 /nfs/dbraw/zinc/02/86/87/181028687.db2.gz OHHGFUMUAQXHLF-QWHCGFSZSA-N 1 0 234.343 2.324 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](CCC)OC ZINC000639144800 353850777 /nfs/dbraw/zinc/85/07/77/353850777.db2.gz KTZYPAVNWKSEHV-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000639144095 353851128 /nfs/dbraw/zinc/85/11/28/353851128.db2.gz GSILZGIFVBBSEZ-LOWDOPEQSA-N 1 0 241.400 2.451 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000343556900 353920653 /nfs/dbraw/zinc/92/06/53/353920653.db2.gz LYXAQSNGQVNUGB-OCCSQVGLSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000343556898 353921022 /nfs/dbraw/zinc/92/10/22/353921022.db2.gz LYXAQSNGQVNUGB-GXTWGEPZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000343509482 353923041 /nfs/dbraw/zinc/92/30/41/353923041.db2.gz REFYFGGHOQYFKX-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000229514143 363280548 /nfs/dbraw/zinc/28/05/48/363280548.db2.gz KKABBYKRNVZQAG-LLVKDONJSA-N 1 0 203.285 2.197 20 30 BEEDRO N#CC1(CC[NH+]2CCC(O)CC2)CCCCC1 ZINC000334549836 354017708 /nfs/dbraw/zinc/01/77/08/354017708.db2.gz VPVVBHKGUVYCIY-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CC(C)(C)CCNC(=O)NC(C)(C)CC[NH3+] ZINC000627121148 363288646 /nfs/dbraw/zinc/28/86/46/363288646.db2.gz QFFRVBUEDDAHMX-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO N#CC1(CC[N@H+]2C[C@H](O)C3(CC3)C2)CCCCC1 ZINC000334565001 354084503 /nfs/dbraw/zinc/08/45/03/354084503.db2.gz SMPHYBYCNRLNTD-ZDUSSCGKSA-N 1 0 248.370 2.307 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000336740657 181060295 /nfs/dbraw/zinc/06/02/95/181060295.db2.gz UPTSDYFAPQCUDD-WOPDTQHZSA-N 1 0 224.373 2.411 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CNc1cccc(C#N)n1 ZINC000232890032 354050964 /nfs/dbraw/zinc/05/09/64/354050964.db2.gz NCAPJIQNHVLXKT-GFCCVEGCSA-N 1 0 244.342 2.143 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCS2)C1 ZINC000307376951 181060713 /nfs/dbraw/zinc/06/07/13/181060713.db2.gz WJERBLPIUHYGSS-MXWKQRLJSA-N 1 0 210.346 2.164 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000307376952 181061085 /nfs/dbraw/zinc/06/10/85/181061085.db2.gz WJERBLPIUHYGSS-OUAUKWLOSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344032863 354096856 /nfs/dbraw/zinc/09/68/56/354096856.db2.gz DYRYZBAMPQUBHS-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000308884317 181069511 /nfs/dbraw/zinc/06/95/11/181069511.db2.gz RVOPKPBHYWNWOE-NWDGAFQWSA-N 1 0 224.373 2.411 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC(C(N)=O)CC2)C1 ZINC000336481421 181069997 /nfs/dbraw/zinc/06/99/97/181069997.db2.gz XQEKGXBYJVEZTD-WNYYMSAVSA-N 1 0 235.331 2.362 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2Cc3ccccc3C2)C1 ZINC000336462197 181070231 /nfs/dbraw/zinc/07/02/31/181070231.db2.gz WWLGHIBHIINGBW-SMDDNHRTSA-N 1 0 226.323 2.436 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CCC1CC1 ZINC000449698159 202003782 /nfs/dbraw/zinc/00/37/82/202003782.db2.gz NBRZLSWRQMTFNS-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)C1CCSCC1 ZINC000449700696 202004184 /nfs/dbraw/zinc/00/41/84/202004184.db2.gz URNHMUNCIVEXBV-AAEUAGOBSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)Cc1ccoc1 ZINC000449697616 202004606 /nfs/dbraw/zinc/00/46/06/202004606.db2.gz LBVXIGIOWGYLTQ-YPMHNXCESA-N 1 0 223.316 2.127 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CC1CCOCC1 ZINC000449700577 202004711 /nfs/dbraw/zinc/00/47/11/202004711.db2.gz ULIFTGQKNNKYLZ-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C1CCSCC1 ZINC000449700699 202004720 /nfs/dbraw/zinc/00/47/20/202004720.db2.gz URNHMUNCIVEXBV-WCQYABFASA-N 1 0 243.416 2.435 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CCc1cccc(C)c1 ZINC000449696328 202005156 /nfs/dbraw/zinc/00/51/56/202005156.db2.gz HTOKKZROSTXTKO-HNNXBMFYSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CC1CCOCC1 ZINC000449700576 202005713 /nfs/dbraw/zinc/00/57/13/202005713.db2.gz ULIFTGQKNNKYLZ-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](C)CCc1ccccc1O ZINC000344211048 354164761 /nfs/dbraw/zinc/16/47/61/354164761.db2.gz MWTZWHLDAIVRKQ-AWEZNQCLSA-N 1 0 249.354 2.194 20 30 BEEDRO N#Cc1cc(F)ccc1NCC[C@H]1CC[NH2+]C1 ZINC000111027652 181088462 /nfs/dbraw/zinc/08/84/62/181088462.db2.gz VGGBMMDNXCEVRE-SNVBAGLBSA-N 1 0 233.290 2.109 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000449734618 202011841 /nfs/dbraw/zinc/01/18/41/202011841.db2.gz NJOXGCWCFUQKRF-UPJWGTAASA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000449729302 202012242 /nfs/dbraw/zinc/01/22/42/202012242.db2.gz AIKYCLKCKUUTAP-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO COCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCC1 ZINC000449743156 202018986 /nfs/dbraw/zinc/01/89/86/202018986.db2.gz VGYYZZQDTJVOIS-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCC[C@@H](O)CC2)ccc1F ZINC000336364986 181084435 /nfs/dbraw/zinc/08/44/35/181084435.db2.gz VVUDTJVTKSIWML-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCC[C@H]2CCO)ccc1F ZINC000310666474 181084860 /nfs/dbraw/zinc/08/48/60/181084860.db2.gz GHSUZBNYJFQZGP-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)C1CCC1 ZINC000449739949 202015988 /nfs/dbraw/zinc/01/59/88/202015988.db2.gz MVIYCRVQURMUGO-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000344449225 354260796 /nfs/dbraw/zinc/26/07/96/354260796.db2.gz OMZPCJAAPUJAFX-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO Cc1cccn2c(C[NH2+]CCCC#N)cnc12 ZINC000344327700 354224938 /nfs/dbraw/zinc/22/49/38/354224938.db2.gz PLGYGMVQXBBFJJ-UHFFFAOYSA-N 1 0 228.299 2.036 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000344513748 354292241 /nfs/dbraw/zinc/29/22/41/354292241.db2.gz KSNBZXDQYOFXNR-CYBMUJFWSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000344513753 354292289 /nfs/dbraw/zinc/29/22/89/354292289.db2.gz KSNBZXDQYOFXNR-ZDUSSCGKSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCCCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000344484176 354270292 /nfs/dbraw/zinc/27/02/92/354270292.db2.gz QNRYYOUQHWUWPI-FRRDWIJNSA-N 1 0 238.375 2.330 20 30 BEEDRO N#Cc1ccc(C[N@@H+](CCO)C2CCC2)cc1F ZINC000361841022 181102252 /nfs/dbraw/zinc/10/22/52/181102252.db2.gz AVEUHPYVPQGGBB-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000366246179 181102384 /nfs/dbraw/zinc/10/23/84/181102384.db2.gz DEPWLOMZTGWOFQ-AWEZNQCLSA-N 1 0 242.322 2.027 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOCC2CC2)cc1 ZINC000224529444 181107975 /nfs/dbraw/zinc/10/79/75/181107975.db2.gz JKPFYNXKECRVDA-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CC(F)(F)C2)o1 ZINC000291634543 181108594 /nfs/dbraw/zinc/10/85/94/181108594.db2.gz AXQIAZZZLAWMDQ-UHFFFAOYSA-N 1 0 226.226 2.286 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000332448474 134004820 /nfs/dbraw/zinc/00/48/20/134004820.db2.gz GMXFHKZNTSSNMT-ROKHWSDSSA-N 1 0 236.359 2.209 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2ncccc2O)s1 ZINC000355293457 181109400 /nfs/dbraw/zinc/10/94/00/181109400.db2.gz OVKNODKUOSYYSE-UHFFFAOYSA-N 1 0 245.307 2.010 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000279680637 181109522 /nfs/dbraw/zinc/10/95/22/181109522.db2.gz IYHHXWXKDAUMMZ-OAHLLOKOSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000020139935 181109557 /nfs/dbraw/zinc/10/95/57/181109557.db2.gz XCMVWAQJUJSPJX-UHFFFAOYSA-N 1 0 223.279 2.243 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H](CO)CC2CCCC2)o1 ZINC000337795878 181109653 /nfs/dbraw/zinc/10/96/53/181109653.db2.gz FXRZYMOIVOXDEI-GFCCVEGCSA-N 1 0 248.326 2.182 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000156971968 181110213 /nfs/dbraw/zinc/11/02/13/181110213.db2.gz JBFXOCMUPCVKSR-SMDDNHRTSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]3OCC[C@@H]32)o1 ZINC000153830748 181110284 /nfs/dbraw/zinc/11/02/84/181110284.db2.gz FNDGTACDBWBACR-RDBSUJKOSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1F ZINC000336326114 181103019 /nfs/dbraw/zinc/10/30/19/181103019.db2.gz QTMAPNFYMJWWHS-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)s1 ZINC000369683760 181105093 /nfs/dbraw/zinc/10/50/93/181105093.db2.gz OSYIMMMKXGPMOT-GXFFZTMASA-N 1 0 248.351 2.231 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1 ZINC000365889814 181105416 /nfs/dbraw/zinc/10/54/16/181105416.db2.gz YSGXXKYFIBXRMV-LSDHHAIUSA-N 1 0 242.322 2.169 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)o1 ZINC000336337828 181105854 /nfs/dbraw/zinc/10/58/54/181105854.db2.gz YMAWOAXHSVNQPY-RYUDHWBXSA-N 1 0 246.310 2.010 20 30 BEEDRO N#Cc1ccc(F)c(CN2C[C@@H]3C[C@H]2CS3)c1 ZINC000334785545 181112407 /nfs/dbraw/zinc/11/24/07/181112407.db2.gz JYDRVWBUXLCHED-RYUDHWBXSA-N 1 0 248.326 2.387 20 30 BEEDRO N#Cc1ccc(F)c(C[N@@H+](CCO)C2CCC2)c1 ZINC000221146527 181112414 /nfs/dbraw/zinc/11/24/14/181112414.db2.gz LZOSXRXWUJFSQA-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000266271813 181116574 /nfs/dbraw/zinc/11/65/74/181116574.db2.gz RGQUUSCRGDTICR-OAHLLOKOSA-N 1 0 239.322 2.009 20 30 BEEDRO N#Cc1ccc(N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000228551664 181117417 /nfs/dbraw/zinc/11/74/17/181117417.db2.gz YMSLNWQMCURLCC-NWANDNLSSA-N 1 0 241.338 2.122 20 30 BEEDRO N#Cc1ccc(NC2CCC([NH3+])CC2)cc1 ZINC000051694082 181119090 /nfs/dbraw/zinc/11/90/90/181119090.db2.gz SKXVYCNUMASLPT-UHFFFAOYSA-N 1 0 215.300 2.240 20 30 BEEDRO N#Cc1ccc(OC[C@H]2CC[NH2+]C2)cc1Cl ZINC000061847618 181128823 /nfs/dbraw/zinc/12/88/23/181128823.db2.gz FXFFRQUCKHGHOZ-VIFPVBQESA-N 1 0 236.702 2.200 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)Cc1cccs1 ZINC000309185074 491063521 /nfs/dbraw/zinc/06/35/21/491063521.db2.gz OOMAFQZJYLYEFJ-GHMZBOCLSA-N 1 0 225.357 2.206 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000334689524 354477549 /nfs/dbraw/zinc/47/75/49/354477549.db2.gz MCLCRICSUCACOL-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CCCO ZINC000360823611 181132192 /nfs/dbraw/zinc/13/21/92/181132192.db2.gz WKHSQUASHPPIDM-HNNXBMFYSA-N 1 0 244.338 2.298 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCCCCO)CC2 ZINC000353648540 181132336 /nfs/dbraw/zinc/13/23/36/181132336.db2.gz ZNTFAUBVFMRWDC-OAHLLOKOSA-N 1 0 244.338 2.298 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]CCCCCO)CC2 ZINC000353648538 181132426 /nfs/dbraw/zinc/13/24/26/181132426.db2.gz ZNTFAUBVFMRWDC-HNNXBMFYSA-N 1 0 244.338 2.298 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038043825 181138170 /nfs/dbraw/zinc/13/81/70/181138170.db2.gz NVYIUVUTGXZFJA-CQSZACIVSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c1 ZINC000306079906 181137578 /nfs/dbraw/zinc/13/75/78/181137578.db2.gz CFKMZCGMKRBPGN-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(NC(=O)C2([NH3+])CCCCC2)c1 ZINC000031830280 181139988 /nfs/dbraw/zinc/13/99/88/181139988.db2.gz JWRZZRSPYTWBNF-UHFFFAOYSA-N 1 0 243.310 2.158 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]([NH3+])CC(F)F ZINC000345732006 354746826 /nfs/dbraw/zinc/74/68/26/354746826.db2.gz YQPZRCNSDUZMHH-SNVBAGLBSA-N 1 0 248.317 2.174 20 30 BEEDRO CCN1C[C@@H](C)[N@H+](CCCCC#N)C[C@H]1C ZINC000346171662 354867996 /nfs/dbraw/zinc/86/79/96/354867996.db2.gz FVBFAFVYWFAVCK-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO CCN1C[C@@H](C)[N@H+](CCCCC#N)C[C@@H]1C ZINC000346171672 354868176 /nfs/dbraw/zinc/86/81/76/354868176.db2.gz FVBFAFVYWFAVCK-QWHCGFSZSA-N 1 0 223.364 2.095 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c(C)cnn1C ZINC000335150378 354864143 /nfs/dbraw/zinc/86/41/43/354864143.db2.gz YIELDJOOCXYTBF-GFCCVEGCSA-N 1 0 219.332 2.269 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)nc1C ZINC000335150882 354864260 /nfs/dbraw/zinc/86/42/60/354864260.db2.gz SZRUZKIUPHVORM-OLZOCXBDSA-N 1 0 229.327 2.480 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000234857509 363433582 /nfs/dbraw/zinc/43/35/82/363433582.db2.gz HDTAJFMSCYNEIC-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc(C)n1 ZINC000335188676 355019739 /nfs/dbraw/zinc/01/97/39/355019739.db2.gz GJAOADPOAVASML-GXTWGEPZSA-N 1 0 229.327 2.480 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000335225059 355066352 /nfs/dbraw/zinc/06/63/52/355066352.db2.gz PFMPTNGGNWFNHH-WXRRBKDZSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639228777 355106494 /nfs/dbraw/zinc/10/64/94/355106494.db2.gz PDQKNRJMQCKFHJ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000449759496 202023544 /nfs/dbraw/zinc/02/35/44/202023544.db2.gz JRUGNZOXIKDVCQ-LLVKDONJSA-N 1 0 234.299 2.152 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000346958374 355167831 /nfs/dbraw/zinc/16/78/31/355167831.db2.gz QGHSFYHUVPYKTE-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCN(C[C@@H]1CCC[NH2+]C1)CC(F)(F)F ZINC000346828857 355128493 /nfs/dbraw/zinc/12/84/93/355128493.db2.gz IXRTXFNDKAACFW-SNVBAGLBSA-N 1 0 236.281 2.036 20 30 BEEDRO C=CC[NH2+][C@@H](CCC)c1nnc2ccccn21 ZINC000347628893 355241136 /nfs/dbraw/zinc/24/11/36/355241136.db2.gz BHHQOTNNMMECNL-NSHDSACASA-N 1 0 230.315 2.346 20 30 BEEDRO CCc1ccc(CN(C)C[C@@H](C)C#N)cn1 ZINC000347590482 355247834 /nfs/dbraw/zinc/24/78/34/355247834.db2.gz OOULPHDFUJNKMT-NSHDSACASA-N 1 0 217.316 2.235 20 30 BEEDRO C=C(C)CC[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000352014138 134035993 /nfs/dbraw/zinc/03/59/93/134035993.db2.gz LURWXDRLWNBZNZ-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347670963 355260103 /nfs/dbraw/zinc/26/01/03/355260103.db2.gz YEGQVFDANDIFCE-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000347666108 355256520 /nfs/dbraw/zinc/25/65/20/355256520.db2.gz RGSSTQQKPSHEEV-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO CCc1cc(NCC(C)(C)CC#N)cc[nH+]1 ZINC000413402167 191375933 /nfs/dbraw/zinc/37/59/33/191375933.db2.gz FXGIGLSLESQDNU-UHFFFAOYSA-N 1 0 217.316 2.418 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000008696994 355327828 /nfs/dbraw/zinc/32/78/28/355327828.db2.gz BGBSCMAWTHCLJG-HNNXBMFYSA-N 1 0 231.339 2.372 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000414232739 191474162 /nfs/dbraw/zinc/47/41/62/191474162.db2.gz IHUOXFURDVYJLV-VTPLQMEGSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000639273360 355346184 /nfs/dbraw/zinc/34/61/84/355346184.db2.gz BMKZXFILGHUWLQ-KXNHARMFSA-N 1 0 227.373 2.061 20 30 BEEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@H](C)CC(N)=O ZINC000414305228 191497088 /nfs/dbraw/zinc/49/70/88/191497088.db2.gz PTHRPZQWRUBOFH-TZMCWYRMSA-N 1 0 246.354 2.027 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](OC)[C@H](C)CC ZINC000639275686 355352035 /nfs/dbraw/zinc/35/20/35/355352035.db2.gz QMQVVBZYMWDXKH-RFGFWPKPSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000414568242 191534811 /nfs/dbraw/zinc/53/48/11/191534811.db2.gz YLIPAUIVFNOYKT-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc2c(c1)nnn2C ZINC000349664311 355404893 /nfs/dbraw/zinc/40/48/93/355404893.db2.gz GKOMGJANSTYXPB-UHFFFAOYSA-N 1 0 244.342 2.414 20 30 BEEDRO CC(C)C[C@H]([NH3+])c1noc(-c2ccc(C#N)o2)n1 ZINC000414632838 191539772 /nfs/dbraw/zinc/53/97/72/191539772.db2.gz YFZKXYBIZKMOGQ-VIFPVBQESA-N 1 0 246.270 2.247 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000335790210 355441517 /nfs/dbraw/zinc/44/15/17/355441517.db2.gz SRUVLJNPTKUJIK-NWDGAFQWSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000352024119 134040104 /nfs/dbraw/zinc/04/01/04/134040104.db2.gz DHJNAGIOBNPXME-JTQLQIEISA-N 1 0 237.265 2.342 20 30 BEEDRO C=CCOc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000414867004 191607336 /nfs/dbraw/zinc/60/73/36/191607336.db2.gz NSIODZJPQZZUPI-AWEZNQCLSA-N 1 0 246.354 2.093 20 30 BEEDRO COCCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000349802319 355465783 /nfs/dbraw/zinc/46/57/83/355465783.db2.gz NPOYTKDWOMGDLY-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000349815176 355467702 /nfs/dbraw/zinc/46/77/02/355467702.db2.gz ZGNHBKNTJCJQBN-JQWIXIFHSA-N 1 0 245.282 2.377 20 30 BEEDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(C#N)n1 ZINC000267525671 355524940 /nfs/dbraw/zinc/52/49/40/355524940.db2.gz NXSCPWOFLLUYSE-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C(C)CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000352050829 134046425 /nfs/dbraw/zinc/04/64/25/134046425.db2.gz VOCXFFCREBAKPP-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CN(C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415986682 191704514 /nfs/dbraw/zinc/70/45/14/191704514.db2.gz VFMPZUNDMWRFHR-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)C[C@H](C)CO ZINC000121126265 355620487 /nfs/dbraw/zinc/62/04/87/355620487.db2.gz JCECVQUBMZNXRI-LBPRGKRZSA-N 1 0 226.364 2.267 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000582179052 355623805 /nfs/dbraw/zinc/62/38/05/355623805.db2.gz HQVWGFGLRFQSNU-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)CC ZINC000106381573 355774858 /nfs/dbraw/zinc/77/48/58/355774858.db2.gz DZCXMRJUNUKGOZ-AWEZNQCLSA-N 1 0 219.328 2.446 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)CC(C)C ZINC000417365369 191801407 /nfs/dbraw/zinc/80/14/07/191801407.db2.gz MSEYKYOHBLPRMI-AVGNSLFASA-N 1 0 224.348 2.329 20 30 BEEDRO CCC(CC)(CC(=O)OC)[NH2+]CCCCC#N ZINC000350705082 355744126 /nfs/dbraw/zinc/74/41/26/355744126.db2.gz YEGFESMRCBKOLC-UHFFFAOYSA-N 1 0 240.347 2.392 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000639347662 355794969 /nfs/dbraw/zinc/79/49/69/355794969.db2.gz JPBRMUMRSYEXCG-NSHDSACASA-N 1 0 218.300 2.185 20 30 BEEDRO CS[C@H]1CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000425380899 191832643 /nfs/dbraw/zinc/83/26/43/191832643.db2.gz LWYHXWBXOXULPQ-ZJUUUORDSA-N 1 0 210.346 2.164 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)CC(C)C ZINC000583615750 355831953 /nfs/dbraw/zinc/83/19/53/355831953.db2.gz OSJRKBLSTPNGBI-CHWSQXEVSA-N 1 0 237.347 2.081 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000351424413 355989426 /nfs/dbraw/zinc/98/94/26/355989426.db2.gz VZWGPEWITSQKHW-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](CC)C2CC2)CC1 ZINC000167404428 355992247 /nfs/dbraw/zinc/99/22/47/355992247.db2.gz FOUZLTQWFXUAFM-AWEZNQCLSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](CC)C2CC2)CC1 ZINC000167404545 355992283 /nfs/dbraw/zinc/99/22/83/355992283.db2.gz FOUZLTQWFXUAFM-CQSZACIVSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NCC[NH2+]CCC ZINC000417988573 191949032 /nfs/dbraw/zinc/94/90/32/191949032.db2.gz SEVQCNCORWQBLU-GFCCVEGCSA-N 1 0 241.379 2.030 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N(CC)CCCC ZINC000351068087 355944482 /nfs/dbraw/zinc/94/44/82/355944482.db2.gz WRNNXARXQVZXHL-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO COC[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000351233002 355965511 /nfs/dbraw/zinc/96/55/11/355965511.db2.gz YKQSZWHRLXVLPE-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000351642977 356041425 /nfs/dbraw/zinc/04/14/25/356041425.db2.gz HMUKDXHTWLNDJS-MNOVXSKESA-N 1 0 210.321 2.178 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000351742060 356078539 /nfs/dbraw/zinc/07/85/39/356078539.db2.gz SWZCKAFQUOFEFJ-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000335915535 356154642 /nfs/dbraw/zinc/15/46/42/356154642.db2.gz CCLGPDNNARHKFF-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCC(C)(C)CNC(=O)N[C@@H](C)CCC[NH3+] ZINC000418210773 191996823 /nfs/dbraw/zinc/99/68/23/191996823.db2.gz HJZDUZLCNSSOOU-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1ccc(C#N)s1 ZINC000336086374 134076470 /nfs/dbraw/zinc/07/64/70/134076470.db2.gz UHNXEMIFZDBDGG-GHMZBOCLSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccon1 ZINC000330219251 356186331 /nfs/dbraw/zinc/18/63/31/356186331.db2.gz JZKNGSRKNSYLPP-CABZTGNLSA-N 1 0 249.314 2.319 20 30 BEEDRO C=CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000617617870 356187372 /nfs/dbraw/zinc/18/73/72/356187372.db2.gz YQMFIFSALALFEQ-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C[C@@H](CCCC[NH3+])Nc1c(C#N)cccc1C#N ZINC000420257642 192188905 /nfs/dbraw/zinc/18/89/05/192188905.db2.gz IWABHAJFUMKBEI-NSHDSACASA-N 1 0 242.326 2.359 20 30 BEEDRO C=CC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639485906 356300623 /nfs/dbraw/zinc/30/06/23/356300623.db2.gz UFSSFCUOUQJHIL-CQSZACIVSA-N 1 0 248.370 2.038 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000609626089 356409358 /nfs/dbraw/zinc/40/93/58/356409358.db2.gz IOJLNOBQFKLZQY-LLVKDONJSA-N 1 0 230.311 2.056 20 30 BEEDRO C[NH+](C)C1CCC(Nc2cnccc2C#N)CC1 ZINC000420624412 192250611 /nfs/dbraw/zinc/25/06/11/192250611.db2.gz JGDSLCVDQFOTJG-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+](C)C1CCC(Nc2cccnc2C#N)CC1 ZINC000420625083 192251154 /nfs/dbraw/zinc/25/11/54/192251154.db2.gz KDYRFEKVJIOHGF-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+](C)C1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000420628533 192251783 /nfs/dbraw/zinc/25/17/83/192251783.db2.gz PKNIIOXKYAEQGX-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO COC[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000449777253 202032874 /nfs/dbraw/zinc/03/28/74/202032874.db2.gz QERJSUFDHXYKDC-LBPRGKRZSA-N 1 0 248.326 2.400 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@]12CCOC2 ZINC000421007894 192298954 /nfs/dbraw/zinc/29/89/54/192298954.db2.gz AHQAQIGYRYYXJM-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO N#Cc1cc(F)ccc1CN1CC[C@]12CCOC2 ZINC000421019770 192303900 /nfs/dbraw/zinc/30/39/00/192303900.db2.gz MRLNMCWZQYFURA-CQSZACIVSA-N 1 0 246.285 2.062 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000449936883 202056050 /nfs/dbraw/zinc/05/60/50/202056050.db2.gz FGTQKTRCTRVSCO-NSHDSACASA-N 1 0 240.391 2.291 20 30 BEEDRO Cc1c(Cl)c(C[NH2+]CCCCC#N)nn1C ZINC000421319698 192316527 /nfs/dbraw/zinc/31/65/27/192316527.db2.gz ASMUTZHLTIMTCS-UHFFFAOYSA-N 1 0 240.738 2.165 20 30 BEEDRO C=C(C)CC[N@H+](CCO)Cc1ccc(C)o1 ZINC000352413783 134143895 /nfs/dbraw/zinc/14/38/95/134143895.db2.gz QUPQXHKSKJLAJS-UHFFFAOYSA-N 1 0 223.316 2.349 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](CC)O[C@]2(CCOC2)C1 ZINC000352413648 134144144 /nfs/dbraw/zinc/14/41/44/134144144.db2.gz PZSGYCGMABUZST-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000352422044 134144562 /nfs/dbraw/zinc/14/45/62/134144562.db2.gz PFMOJLGSENGHOD-XQQFMLRXSA-N 1 0 237.343 2.226 20 30 BEEDRO N#CCC1(CN2CC[NH+](C3CCCC3)CC2)CC1 ZINC000088259477 356644175 /nfs/dbraw/zinc/64/41/75/356644175.db2.gz MHCAXUKAJMUZAL-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C[N@H+](C[C@H]1CCCOC1)CC1(CC#N)CC1 ZINC000088259545 356645057 /nfs/dbraw/zinc/64/50/57/356645057.db2.gz VVFBFMHVVOQYDW-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CC1(CC#N)CC1 ZINC000088259334 356647275 /nfs/dbraw/zinc/64/72/75/356647275.db2.gz CPRDCILJZFAYIT-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CCC#C[C@H](C)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000639746357 356638860 /nfs/dbraw/zinc/63/88/60/356638860.db2.gz DWTOSPCPLBETQA-UONOGXRCSA-N 1 0 236.403 2.450 20 30 BEEDRO C=CCC[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639746226 356638894 /nfs/dbraw/zinc/63/88/94/356638894.db2.gz ZKDZFHJCEYDFLZ-GFCCVEGCSA-N 1 0 210.365 2.225 20 30 BEEDRO C=C1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000336500409 134148676 /nfs/dbraw/zinc/14/86/76/134148676.db2.gz IVXAHNUYVPATQM-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO CC1(C)CC[C@H]1NC(=[NH2+])N1CCCCCC1 ZINC000263175468 535329118 /nfs/dbraw/zinc/32/91/18/535329118.db2.gz SUKKINBBIFHUGI-LLVKDONJSA-N 1 0 223.364 2.366 20 30 BEEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000609901807 356651431 /nfs/dbraw/zinc/65/14/31/356651431.db2.gz ZGOZODWUBFURNH-CYBMUJFWSA-N 1 0 243.354 2.325 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000623634911 366313617 /nfs/dbraw/zinc/31/36/17/366313617.db2.gz GLZYHAFVFDHVOC-MELADBBJSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]Cc1cc(C#N)cs1 ZINC000384437880 356655901 /nfs/dbraw/zinc/65/59/01/356655901.db2.gz XBYMKAHMWJZSKV-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@H+](CCC#N)CC2CC2)CCO1 ZINC000352712008 134151461 /nfs/dbraw/zinc/15/14/61/134151461.db2.gz BPCOOPUZTQUMKQ-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO CCCN(CC[NH+]1CCCC1)CC1(C#N)CC1 ZINC000352874947 134156114 /nfs/dbraw/zinc/15/61/14/134156114.db2.gz ISMRZWHUXZTJEI-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO Cc1cc(CC[NH2+]CC(C)(C)CCC#N)on1 ZINC000353079643 134160648 /nfs/dbraw/zinc/16/06/48/134160648.db2.gz APPWZGAWJDOOGA-UHFFFAOYSA-N 1 0 235.331 2.445 20 30 BEEDRO C=CC[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000352963217 134158628 /nfs/dbraw/zinc/15/86/28/134158628.db2.gz FNFXUDXJSWGYLI-GFCCVEGCSA-N 1 0 230.315 2.202 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000353020846 134159072 /nfs/dbraw/zinc/15/90/72/134159072.db2.gz BEOFBWWMCUINNQ-SNVBAGLBSA-N 1 0 232.274 2.241 20 30 BEEDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000353482755 134163954 /nfs/dbraw/zinc/16/39/54/134163954.db2.gz MSMDZAXQPCJCRU-MJBXVCDLSA-N 1 0 237.391 2.389 20 30 BEEDRO CCCN(CC)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000353482753 134164076 /nfs/dbraw/zinc/16/40/76/134164076.db2.gz MSMDZAXQPCJCRU-IHRRRGAJSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CC[C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353783297 134164997 /nfs/dbraw/zinc/16/49/97/134164997.db2.gz AVVABARLWSUZKH-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1CCC(=O)NC ZINC000353163173 134162606 /nfs/dbraw/zinc/16/26/06/134162606.db2.gz BORRBGCKRQWHMO-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000353366293 134163520 /nfs/dbraw/zinc/16/35/20/134163520.db2.gz XNOBRYLYHJAMGM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428789 202161658 /nfs/dbraw/zinc/16/16/58/202161658.db2.gz XEYUFCPKJAXXJI-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@](C)(O)C(C)=O ZINC000450428887 202163595 /nfs/dbraw/zinc/16/35/95/202163595.db2.gz JMLXRVIEMPQYBB-CYBMUJFWSA-N 1 0 227.348 2.005 20 30 BEEDRO CCOc1ccc(CN(CC)CCC#N)nc1 ZINC000088525591 356730467 /nfs/dbraw/zinc/73/04/67/356730467.db2.gz AXSPLWWUWGPDGJ-UHFFFAOYSA-N 1 0 233.315 2.216 20 30 BEEDRO C=CC[N@H+](C[C@H]1CC(C)(C)CO1)[C@H](C)COC ZINC000639784821 356737209 /nfs/dbraw/zinc/73/72/09/356737209.db2.gz ONTJEJQGGJWHFY-CHWSQXEVSA-N 1 0 241.375 2.324 20 30 BEEDRO CCC#C[C@H](C)N(C)Cc1ccns1 ZINC000639806883 356778200 /nfs/dbraw/zinc/77/82/00/356778200.db2.gz IMDLWDYQBBZUJA-JTQLQIEISA-N 1 0 208.330 2.377 20 30 BEEDRO COCC[N@H+](CCC#N)[C@H]1CCC[C@@H]1C ZINC000355686083 134174730 /nfs/dbraw/zinc/17/47/30/134174730.db2.gz YVUGYBGCHUGJIM-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC000089051667 356911262 /nfs/dbraw/zinc/91/12/62/356911262.db2.gz QYEPYEVIWPACNT-UHFFFAOYSA-N 1 0 244.216 2.184 20 30 BEEDRO N#CCCNC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390663247 357110066 /nfs/dbraw/zinc/11/00/66/357110066.db2.gz QBYAUJMVEQPGAG-OAHLLOKOSA-N 1 0 243.354 2.154 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccsc1 ZINC000389894885 357062365 /nfs/dbraw/zinc/06/23/65/357062365.db2.gz YDNXMCCQPJCWBV-JQWIXIFHSA-N 1 0 225.357 2.206 20 30 BEEDRO C=CC[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639875212 357066084 /nfs/dbraw/zinc/06/60/84/357066084.db2.gz LRDJOLICTSRTRV-ZDUSSCGKSA-N 1 0 232.327 2.061 20 30 BEEDRO COC1(C[C@H](C)[NH2+]C[C@H](C)C#N)CCC1 ZINC000389945923 357072960 /nfs/dbraw/zinc/07/29/60/357072960.db2.gz QNOZYBMIULXRTH-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000390815246 357117248 /nfs/dbraw/zinc/11/72/48/357117248.db2.gz IYLNYDODVNCSLB-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cnc3cnccn23)C1 ZINC000628405614 357198684 /nfs/dbraw/zinc/19/86/84/357198684.db2.gz PVLLVNKKOOCMKA-GFCCVEGCSA-N 1 0 242.326 2.127 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC000628406118 357200821 /nfs/dbraw/zinc/20/08/21/357200821.db2.gz CGOHFJYGMRCERA-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(C)c(C)[nH]2)C1 ZINC000628406612 357201127 /nfs/dbraw/zinc/20/11/27/357201127.db2.gz NCDJVRWBZOQRMJ-GFCCVEGCSA-N 1 0 219.332 2.425 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cn(C3CCC3)nn2)C1 ZINC000628406491 357201368 /nfs/dbraw/zinc/20/13/68/357201368.db2.gz KUZQLWSSMSYTAA-LBPRGKRZSA-N 1 0 246.358 2.401 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000628406267 357201644 /nfs/dbraw/zinc/20/16/44/357201644.db2.gz FWTVHDMTUOOBCL-SNVBAGLBSA-N 1 0 239.750 2.472 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cncn2CC)C1 ZINC000628407022 357202954 /nfs/dbraw/zinc/20/29/54/357202954.db2.gz XEAYRUMKVZGFMF-GFCCVEGCSA-N 1 0 219.332 2.301 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000393740948 357295460 /nfs/dbraw/zinc/29/54/60/357295460.db2.gz BSEXHSNAYNVHMM-VXGBXAGGSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCN(C)C1=O ZINC000360249341 134199331 /nfs/dbraw/zinc/19/93/31/134199331.db2.gz CPZYHOIMUXQAIY-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCN(CCOC)C1 ZINC000360236813 134199268 /nfs/dbraw/zinc/19/92/68/134199268.db2.gz DPHFQXHXMQGRRV-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO CC(C)([NH3+])CNc1ccc(Cl)cc1C#N ZINC000168398133 134197837 /nfs/dbraw/zinc/19/78/37/134197837.db2.gz KKXOWDSAPRJNMR-UHFFFAOYSA-N 1 0 223.707 2.361 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC000054978888 363581384 /nfs/dbraw/zinc/58/13/84/363581384.db2.gz XRAAQXNUUUWLBF-CQSZACIVSA-N 1 0 215.296 2.465 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCc1ccncc1 ZINC000360438465 134200614 /nfs/dbraw/zinc/20/06/14/134200614.db2.gz RIIOCUCSFJDYJB-LBPRGKRZSA-N 1 0 217.316 2.106 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000360489388 134200871 /nfs/dbraw/zinc/20/08/71/134200871.db2.gz GQEUCINNKGIZLM-MNOVXSKESA-N 1 0 249.276 2.178 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610270915 357404583 /nfs/dbraw/zinc/40/45/83/357404583.db2.gz IOACAPGAWBDDIN-TZMCWYRMSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCN1CCCC1=O ZINC000582909748 357433479 /nfs/dbraw/zinc/43/34/79/357433479.db2.gz TUOHCDFJZPTHRI-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CCc1noc([C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000361264859 134204391 /nfs/dbraw/zinc/20/43/91/134204391.db2.gz KIPZTENVYPUPTK-GHMZBOCLSA-N 1 0 235.331 2.243 20 30 BEEDRO CCCCN(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000361460547 134205575 /nfs/dbraw/zinc/20/55/75/134205575.db2.gz ZEGUVULCVPCVGJ-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000362295833 134209570 /nfs/dbraw/zinc/20/95/70/134209570.db2.gz AWPVFXXCPUMTSX-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](CC)CC1 ZINC000362299331 134209681 /nfs/dbraw/zinc/20/96/81/134209681.db2.gz GXMCIZRCQWMSNC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000362280123 134209749 /nfs/dbraw/zinc/20/97/49/134209749.db2.gz NTGJCGGCJCYRDB-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000361742625 134207443 /nfs/dbraw/zinc/20/74/43/134207443.db2.gz GUDPLYVEHNIFDO-CHWSQXEVSA-N 1 0 209.333 2.188 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000232527135 357662810 /nfs/dbraw/zinc/66/28/10/357662810.db2.gz OIYIONJPOPWWBT-VXGBXAGGSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000232532880 357664536 /nfs/dbraw/zinc/66/45/36/357664536.db2.gz HYKFXKSJUFRNOK-QWHCGFSZSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(C#N)CCCC[NH+]1CCN(C2CC2)CC1 ZINC000232531127 357664866 /nfs/dbraw/zinc/66/48/66/357664866.db2.gz MOVPXPDUVUWMSS-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)s1 ZINC000190329557 357701450 /nfs/dbraw/zinc/70/14/50/357701450.db2.gz FWMSETOHTMTMHD-UPJWGTAASA-N 1 0 248.351 2.277 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCC1CC(F)(F)C1 ZINC000583257817 357735595 /nfs/dbraw/zinc/73/55/95/357735595.db2.gz BJYWFASYVLAEEH-NSHDSACASA-N 1 0 241.285 2.455 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000368457154 134218505 /nfs/dbraw/zinc/21/85/05/134218505.db2.gz HABRCQURSYSPOH-YNEHKIRRSA-N 1 0 246.354 2.227 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](O)C1CCCCC1 ZINC000191094112 357750025 /nfs/dbraw/zinc/75/00/25/357750025.db2.gz JVASYSZNOLHLGD-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO CC#CCC[NH+]1CCC(OCC2CC2)CC1 ZINC000368651013 134219982 /nfs/dbraw/zinc/21/99/82/134219982.db2.gz SHGAOWHBSQQXMP-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO COCC[C@@H]1CCCC[N@H+](CCC#N)C1 ZINC000368777089 134220094 /nfs/dbraw/zinc/22/00/94/134220094.db2.gz AMVKQTALRZIIRS-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000191785707 357796325 /nfs/dbraw/zinc/79/63/25/357796325.db2.gz RLJDBLZPUIFZRZ-RYUDHWBXSA-N 1 0 225.332 2.084 20 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C=CCCCCCNC(=O)C1CC[NH+](C)CC1 ZINC000578452838 366573663 /nfs/dbraw/zinc/57/36/63/366573663.db2.gz WBJGXOOBJYSIQB-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CCN(C)C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000451080650 202348457 /nfs/dbraw/zinc/34/84/57/202348457.db2.gz QQRIQQZNASGYHO-AWEZNQCLSA-N 1 0 222.376 2.204 20 30 BEEDRO C[C@H]1CN(CCC(C)(C)C#N)CC[N@@H+](C2CC2)C1 ZINC000451095953 202351093 /nfs/dbraw/zinc/35/10/93/202351093.db2.gz VIGXMLWBFDCQHV-ZDUSSCGKSA-N 1 0 249.402 2.342 20 30 BEEDRO CC1CCC(C[NH+]2CCN(CCC#N)CC2)CC1 ZINC000612449987 359855945 /nfs/dbraw/zinc/85/59/45/359855945.db2.gz AJXWUPMTPJBYED-UHFFFAOYSA-N 1 0 249.402 2.344 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccnc(C#N)c1)[C@H]1CCCO1 ZINC000612491938 359865484 /nfs/dbraw/zinc/86/54/84/359865484.db2.gz POLMYHAJDUMBKS-UONOGXRCSA-N 1 0 245.326 2.000 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000309134567 491145388 /nfs/dbraw/zinc/14/53/88/491145388.db2.gz RULMGMHOXHLWHD-AVGNSLFASA-N 1 0 209.333 2.336 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C[C@H]1CCOc2ccccc21 ZINC000612586593 359899657 /nfs/dbraw/zinc/89/96/57/359899657.db2.gz WXTXAPGECLGCOK-NWDGAFQWSA-N 1 0 230.311 2.302 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cncc(F)c1 ZINC000451223200 202381358 /nfs/dbraw/zinc/38/13/58/202381358.db2.gz ZZFTWYXPTWEQED-WQAKAFBOSA-N 1 0 236.290 2.215 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451208247 202381896 /nfs/dbraw/zinc/38/18/96/202381896.db2.gz CVKMFECDVWTTDR-LBPRGKRZSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+]C2(CC)CCCC2)C1=O ZINC000451278056 202394674 /nfs/dbraw/zinc/39/46/74/202394674.db2.gz UGMROBHVYARGIO-GFCCVEGCSA-N 1 0 236.359 2.086 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCCO1 ZINC000087608547 359919423 /nfs/dbraw/zinc/91/94/23/359919423.db2.gz VBXUDOLPTJYDGT-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(C)(C)C#N ZINC000087595261 359919865 /nfs/dbraw/zinc/91/98/65/359919865.db2.gz BNUGNWAQWZCELR-RYUDHWBXSA-N 1 0 224.348 2.426 20 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C=CCC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)C1CC1 ZINC000090515114 360076991 /nfs/dbraw/zinc/07/69/91/360076991.db2.gz INTAAMDQMSLWPG-DETPVDSQSA-N 1 0 243.416 2.478 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000451678471 202458921 /nfs/dbraw/zinc/45/89/21/202458921.db2.gz WQKQJSJMLLYODJ-NEPJUHHUSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCN(CC)CC1 ZINC000091507518 360118169 /nfs/dbraw/zinc/11/81/69/360118169.db2.gz QMGIWAHMZAWJIO-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC1CC[NH+](CC2=CCCOC2)CC1 ZINC000093359305 360235364 /nfs/dbraw/zinc/23/53/64/360235364.db2.gz YVPLXSYGOPGTLM-UHFFFAOYSA-N 1 0 207.317 2.231 20 30 BEEDRO C=CC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000093359287 360235839 /nfs/dbraw/zinc/23/58/39/360235839.db2.gz KSTXKUVHDIRRDE-UHFFFAOYSA-N 1 0 248.326 2.199 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000093359183 360236006 /nfs/dbraw/zinc/23/60/06/360236006.db2.gz VJUKZDNUXHCNOK-UHFFFAOYSA-N 1 0 242.326 2.127 20 30 BEEDRO 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365041540 /nfs/dbraw/zinc/04/15/40/365041540.db2.gz QTLMRRZOZGOCCJ-JGVFFNPUSA-N 1 0 208.227 2.467 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000574248190 365018647 /nfs/dbraw/zinc/01/86/47/365018647.db2.gz VLPBFCMHEIDCMW-FZMZJTMJSA-N 1 0 217.378 2.042 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000574311953 365035352 /nfs/dbraw/zinc/03/53/52/365035352.db2.gz FVTUTYXGPMRMTH-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOc1ccc(OC)cc1 ZINC000574663167 365115790 /nfs/dbraw/zinc/11/57/90/365115790.db2.gz ZOGQGSBBDQNRBG-LBPRGKRZSA-N 1 0 248.326 2.356 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433091653 192982812 /nfs/dbraw/zinc/98/28/12/192982812.db2.gz MOAJXHXYCOGULN-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000433091656 192983629 /nfs/dbraw/zinc/98/36/29/192983629.db2.gz MOAJXHXYCOGULN-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO N#CC1CCC(C[NH2+]CC[C@H]2CCOC2)CC1 ZINC000443075566 193012160 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/nfs/dbraw/zinc/45/25/48/369452548.db2.gz QSXWWWKHTBBHTB-UHFFFAOYSA-N 1 0 244.273 2.052 20 30 BEEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000230659252 369453592 /nfs/dbraw/zinc/45/35/92/369453592.db2.gz MVLPAMJRHLNGRZ-AAEUAGOBSA-N 1 0 231.343 2.423 20 30 BEEDRO COC[C@@H](Cc1ccccc1)[NH2+]CC1(C#N)CC1 ZINC000619535297 369466509 /nfs/dbraw/zinc/46/65/09/369466509.db2.gz TZYVJAVBXAEMMW-CQSZACIVSA-N 1 0 244.338 2.137 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cnn2ccccc12 ZINC000459727646 203344439 /nfs/dbraw/zinc/34/44/39/203344439.db2.gz HMDHPZHIRJCTHE-UHFFFAOYSA-N 1 0 242.326 2.364 20 30 BEEDRO COc1cc(C)nc(C[NH2+]CC(C)(C)CC#N)c1 ZINC000459730384 203345362 /nfs/dbraw/zinc/34/53/62/203345362.db2.gz LWJRRISKDKTRJW-UHFFFAOYSA-N 1 0 247.342 2.428 20 30 BEEDRO Cc1ccncc1C[NH2+]CC(C)(C)CC#N ZINC000459730442 203345755 /nfs/dbraw/zinc/34/57/55/203345755.db2.gz MGKAMBONBAEICC-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000459728316 203346012 /nfs/dbraw/zinc/34/60/12/203346012.db2.gz IRYUDQPSNLASRW-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CCCn1cc(C[NH2+]CC(C)(C)CC#N)cn1 ZINC000459737808 203346432 /nfs/dbraw/zinc/34/64/32/203346432.db2.gz WWXRDUMWRLBQEC-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H](C)O1 ZINC000459737791 203348140 /nfs/dbraw/zinc/34/81/40/203348140.db2.gz WTVPWTHNLPGUFJ-GMTAPVOTSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)CCO1 ZINC000260065521 370969589 /nfs/dbraw/zinc/96/95/89/370969589.db2.gz OPMBVSFBQFYTEI-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+]C2(C3CCC3)CCC2)C1=O ZINC000459747739 203354750 /nfs/dbraw/zinc/35/47/50/203354750.db2.gz DHNXKCQBHHUEBO-CYBMUJFWSA-N 1 0 248.370 2.086 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000459759060 203358647 /nfs/dbraw/zinc/35/86/47/203358647.db2.gz LSNIJPAZSWMOQB-KVSVUVNWSA-N 1 0 204.317 2.457 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)C12CCC2 ZINC000459799191 203374266 /nfs/dbraw/zinc/37/42/66/203374266.db2.gz YOEYFQQALMEMTI-STQMWFEESA-N 1 0 246.310 2.198 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccn(C)n1 ZINC000459801517 203374296 /nfs/dbraw/zinc/37/42/96/203374296.db2.gz XSEHDTTXQARQKT-SNVBAGLBSA-N 1 0 220.320 2.011 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000165302719 203384115 /nfs/dbraw/zinc/38/41/15/203384115.db2.gz STWYUAIXZYTTDK-LBPRGKRZSA-N 1 0 222.376 2.415 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000164761799 203380785 /nfs/dbraw/zinc/38/07/85/203380785.db2.gz HAAFEYVZNBIQFF-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO C[N@H+](C[C@@H]1CCCOC1)[C@H]1CCC[C@H]1C#N ZINC000250370436 369517220 /nfs/dbraw/zinc/51/72/20/369517220.db2.gz HCYMKIWWOAODAV-AVGNSLFASA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)C2CC2)CC1 ZINC000165302477 203382887 /nfs/dbraw/zinc/38/28/87/203382887.db2.gz MEOCPNNEXWLQBA-NSHDSACASA-N 1 0 208.349 2.025 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CC1CCC(C#N)CC1 ZINC000619669444 369519776 /nfs/dbraw/zinc/51/97/76/369519776.db2.gz LVKLHXXBPTXNAU-RUXDESIVSA-N 1 0 244.342 2.350 20 30 BEEDRO C[C@@H](C[N@H+](C)CCCC#N)C(=O)OC(C)(C)C ZINC000459804257 203372511 /nfs/dbraw/zinc/37/25/11/203372511.db2.gz KTHKGXYDFBGTQB-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C(C)(C)C)C1 ZINC000619722279 369554155 /nfs/dbraw/zinc/55/41/55/369554155.db2.gz INBHZVDYUQBTIA-RYUDHWBXSA-N 1 0 239.359 2.472 20 30 BEEDRO N#Cc1c(F)cccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000060941534 369568865 /nfs/dbraw/zinc/56/88/65/369568865.db2.gz RCLYJMROCLMYEG-SNVBAGLBSA-N 1 0 245.301 2.346 20 30 BEEDRO N#Cc1c(F)cccc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000600951698 369578291 /nfs/dbraw/zinc/57/82/91/369578291.db2.gz TUOBLYDYBVQIGJ-CYBMUJFWSA-N 1 0 245.301 2.394 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000601139837 369595901 /nfs/dbraw/zinc/59/59/01/369595901.db2.gz LJXAQJGRFKSGOR-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CC(C)C[NH2+]Cc1cccc(F)c1C#N ZINC000601994676 369732286 /nfs/dbraw/zinc/73/22/86/369732286.db2.gz ALXYTFBFZDAYIV-UHFFFAOYSA-N 1 0 206.264 2.443 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cccc(F)c1C#N ZINC000602007776 369733053 /nfs/dbraw/zinc/73/30/53/369733053.db2.gz XQFHBBQSNVCSSZ-GXSJLCMTSA-N 1 0 218.275 2.443 20 30 BEEDRO C[C@H](CC[NH+](C)C)NCc1cccc(F)c1C#N ZINC000602009162 369733504 /nfs/dbraw/zinc/73/35/04/369733504.db2.gz WPYFRYXIUJBUGR-LLVKDONJSA-N 1 0 249.333 2.127 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCSC1 ZINC000602012057 369734990 /nfs/dbraw/zinc/73/49/90/369734990.db2.gz PXBSUGUBTZNLBU-SNVBAGLBSA-N 1 0 236.315 2.292 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(F)c2C#N)CCCO1 ZINC000602015183 369735696 /nfs/dbraw/zinc/73/56/96/369735696.db2.gz ZAIJKZZJMNTFIX-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(F)c2C#N)O1 ZINC000602019854 369736433 /nfs/dbraw/zinc/73/64/33/369736433.db2.gz JWOVMQPCGIHKOY-PWSUYJOCSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602016982 369736598 /nfs/dbraw/zinc/73/65/98/369736598.db2.gz KQEQWDXWNBEPIF-KLPPZKSPSA-N 1 0 248.301 2.212 20 30 BEEDRO CCC(C)(C)OCC[NH2+]Cc1cccc(C#N)n1 ZINC000602688938 369839800 /nfs/dbraw/zinc/83/98/00/369839800.db2.gz BPLJFXYXASJRSZ-UHFFFAOYSA-N 1 0 247.342 2.248 20 30 BEEDRO CC(C)C(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602538564 369806978 /nfs/dbraw/zinc/80/69/78/369806978.db2.gz FYTLCTPTWQDQAG-UHFFFAOYSA-N 1 0 217.316 2.477 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CC=CCC2)n1 ZINC000602553305 369812686 /nfs/dbraw/zinc/81/26/86/369812686.db2.gz RXLAUAQKBDKDRI-NSHDSACASA-N 1 0 213.284 2.152 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CCCCO2)n1 ZINC000602596150 369823986 /nfs/dbraw/zinc/82/39/86/369823986.db2.gz HZSOFXPZLQTANV-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CC23CCCC3)n1 ZINC000602637255 369831961 /nfs/dbraw/zinc/83/19/61/369831961.db2.gz KVIJRNISEVGLQC-ZDUSSCGKSA-N 1 0 227.311 2.376 20 30 BEEDRO COCCC1([NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602637021 369832360 /nfs/dbraw/zinc/83/23/60/369832360.db2.gz ACOCPEKGPYOHPP-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO CC(C)C1C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602645760 369833904 /nfs/dbraw/zinc/83/39/04/369833904.db2.gz ZNUKTATZKNZNPB-UHFFFAOYSA-N 1 0 215.300 2.041 20 30 BEEDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccc(C#N)cc1F ZINC000305819257 369779311 /nfs/dbraw/zinc/77/93/11/369779311.db2.gz NYLALMRRURWDFG-SNVBAGLBSA-N 1 0 248.301 2.120 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602428803 369786669 /nfs/dbraw/zinc/78/66/69/369786669.db2.gz KFWHBZUOBIVXNU-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO CC[N@@H+](Cc1cccc(C#N)n1)CC(C)C ZINC000602441860 369789136 /nfs/dbraw/zinc/78/91/36/369789136.db2.gz ZBQDEOMAFSQRGW-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CCCC[N@H+](CCOC)Cc1cccc(C#N)n1 ZINC000602467945 369791474 /nfs/dbraw/zinc/79/14/74/369791474.db2.gz LLGXMELIDWZWON-UHFFFAOYSA-N 1 0 247.342 2.202 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602471334 369791776 /nfs/dbraw/zinc/79/17/76/369791776.db2.gz CFOLDZQIVCXDKC-NEPJUHHUSA-N 1 0 229.327 2.431 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602488393 369794334 /nfs/dbraw/zinc/79/43/34/369794334.db2.gz WWAVLTHGRHVJDF-LBPRGKRZSA-N 1 0 229.327 2.431 20 30 BEEDRO Cc1ccc(CC[NH2+]Cc2cccc(C#N)n2)o1 ZINC000602508579 369798171 /nfs/dbraw/zinc/79/81/71/369798171.db2.gz CIZPTVBOUNIDEN-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO COCC1([NH2+]Cc2cccc(C#N)n2)CCCC1 ZINC000602705895 369844329 /nfs/dbraw/zinc/84/43/29/369844329.db2.gz ONHDEWHYJGBRMP-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000602711403 369846319 /nfs/dbraw/zinc/84/63/19/369846319.db2.gz PXKBSDMJDUWMHH-OAHLLOKOSA-N 1 0 242.322 2.443 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000602758906 369849287 /nfs/dbraw/zinc/84/92/87/369849287.db2.gz JDQYTYYREMDHMZ-SWLSCSKDSA-N 1 0 244.338 2.415 20 30 BEEDRO N#Cc1ccc(C2CC[NH+](CCCF)CC2)nc1 ZINC000602908208 369863122 /nfs/dbraw/zinc/86/31/22/369863122.db2.gz AXTMXYQEFWTDAJ-UHFFFAOYSA-N 1 0 247.317 2.492 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)[C@H](CO)C1 ZINC000602932449 369866533 /nfs/dbraw/zinc/86/65/33/369866533.db2.gz XWZYXBDPRMISOJ-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO CC1(F)CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000602993053 369867585 /nfs/dbraw/zinc/86/75/85/369867585.db2.gz OLMZYLZUTUYYMU-UHFFFAOYSA-N 1 0 233.290 2.277 20 30 BEEDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncccc2C#N)C1(C)C ZINC000603408037 369954090 /nfs/dbraw/zinc/95/40/90/369954090.db2.gz WEBXZUXYJOPWRM-NWDGAFQWSA-N 1 0 244.342 2.094 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621156555 370128329 /nfs/dbraw/zinc/12/83/29/370128329.db2.gz CBNPVCQOISMMRY-TZMCWYRMSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621156940 370128887 /nfs/dbraw/zinc/12/88/87/370128887.db2.gz LKLFBPDLIFRTDM-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1ccc(F)c(F)c1 ZINC000309750587 370253502 /nfs/dbraw/zinc/25/35/02/370253502.db2.gz KLGQFCIIEXCIEP-SECBINFHSA-N 1 0 224.254 2.399 20 30 BEEDRO C=CC[N@H+](Cc1ccnc(C)c1)[C@@H](C)COC ZINC000621313927 370240055 /nfs/dbraw/zinc/24/00/55/370240055.db2.gz CBXOOMPHMNTVGX-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO Cc1ccncc1CCC[NH2+]C[C@@H](C)C#N ZINC000309759992 370255916 /nfs/dbraw/zinc/25/59/16/370255916.db2.gz MHOOOWLMASAPIJ-NSHDSACASA-N 1 0 217.316 2.072 20 30 BEEDRO N#Cc1cc(F)ccc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000113317589 370400974 /nfs/dbraw/zinc/40/09/74/370400974.db2.gz UMXMNNPAFJQGRL-GFCCVEGCSA-N 1 0 245.301 2.346 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1)CC(C)(C)O ZINC000078738605 370595475 /nfs/dbraw/zinc/59/54/75/370595475.db2.gz HIJDAWSPKXOBJN-UHFFFAOYSA-N 1 0 232.327 2.151 20 30 BEEDRO CC[N@H+](Cc1cccc(C#N)c1)CC(C)(C)O ZINC000078738334 370595495 /nfs/dbraw/zinc/59/54/95/370595495.db2.gz OBUCTXKIDZYTOU-UHFFFAOYSA-N 1 0 232.327 2.151 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000070573756 371045910 /nfs/dbraw/zinc/04/59/10/371045910.db2.gz PBSAJAUTAQKBRJ-NWDGAFQWSA-N 1 0 243.310 2.014 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000568776478 326376941 /nfs/dbraw/zinc/37/69/41/326376941.db2.gz KFBHUGYCEMHELK-YNEHKIRRSA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000092392682 371097137 /nfs/dbraw/zinc/09/71/37/371097137.db2.gz IDKRPRXVGFAKTG-BXUZGUMPSA-N 1 0 232.327 2.226 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623928156 371158740 /nfs/dbraw/zinc/15/87/40/371158740.db2.gz GGNZGQUVWUTKKO-QWRGUYRKSA-N 1 0 240.372 2.287 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000623928155 371159180 /nfs/dbraw/zinc/15/91/80/371159180.db2.gz GGNZGQUVWUTKKO-MNOVXSKESA-N 1 0 240.372 2.287 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1nc(C)cs1 ZINC000623928154 371159609 /nfs/dbraw/zinc/15/96/09/371159609.db2.gz GGNZGQUVWUTKKO-GHMZBOCLSA-N 1 0 240.372 2.287 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000389994218 371185137 /nfs/dbraw/zinc/18/51/37/371185137.db2.gz PTGIPJIGTRCXOS-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2scnc21 ZINC000623959169 371197205 /nfs/dbraw/zinc/19/72/05/371197205.db2.gz IUCZHBXGHNVZFQ-NXEZZACHSA-N 1 0 238.356 2.047 20 30 BEEDRO C[C@@H](Nc1cnccc1C#N)C(C)(C)C[NH+](C)C ZINC000094166788 371197564 /nfs/dbraw/zinc/19/75/64/371197564.db2.gz MIVIHRLUHNYPML-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCCCCC1 ZINC000390487612 371206375 /nfs/dbraw/zinc/20/63/75/371206375.db2.gz OCQRDGFUNKWFJL-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[NH+]1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000019950784 371208976 /nfs/dbraw/zinc/20/89/76/371208976.db2.gz ZVGCGMJEFMJLDP-UHFFFAOYSA-N 1 0 229.327 2.454 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000019959849 371212330 /nfs/dbraw/zinc/21/23/30/371212330.db2.gz HVMUBNKRWIIPNM-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO CC[C@]1([NH2+]CCCC(C)(C)C#N)CCOC1 ZINC000390570719 371215894 /nfs/dbraw/zinc/21/58/94/371215894.db2.gz UYKOYNGVXZNLCS-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cnnn1CC)C1CC1 ZINC000624026576 371257971 /nfs/dbraw/zinc/25/79/71/371257971.db2.gz FWNXHAZTLUUMJH-CYBMUJFWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623996552 371229579 /nfs/dbraw/zinc/22/95/79/371229579.db2.gz KKONHYHPNVTOHO-QWRGUYRKSA-N 1 0 240.372 2.429 20 30 BEEDRO CC1(C)CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000094802898 371234334 /nfs/dbraw/zinc/23/43/34/371234334.db2.gz LRKJTVWZPJMQIX-AWEZNQCLSA-N 1 0 244.338 2.324 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000624003962 371240260 /nfs/dbraw/zinc/24/02/60/371240260.db2.gz PYCGUPFMJIPSQC-XUXIUFHCSA-N 1 0 239.359 2.125 20 30 BEEDRO CCO[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000155458607 371244572 /nfs/dbraw/zinc/24/45/72/371244572.db2.gz YUDOODAJPKXVJY-LBPRGKRZSA-N 1 0 234.299 2.152 20 30 BEEDRO Cc1cc(C[NH2+]CC2(CC#N)CC2)ccn1 ZINC000391175918 371274992 /nfs/dbraw/zinc/27/49/92/371274992.db2.gz GOBBGROQJROMNY-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCCO1 ZINC000624090190 371300730 /nfs/dbraw/zinc/30/07/30/371300730.db2.gz NFXCBVXCZUAHTJ-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000624223642 371410130 /nfs/dbraw/zinc/41/01/30/371410130.db2.gz ZRARUSHSXNVMJW-UHTWSYAYSA-N 1 0 209.333 2.498 20 30 BEEDRO CCC(CC)C[NH2+]C1CCN(CC#N)CC1 ZINC000125661442 371372522 /nfs/dbraw/zinc/37/25/22/371372522.db2.gz VGGMKRZTNBMQHM-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCN(C)CC(F)F ZINC000624324574 371482286 /nfs/dbraw/zinc/48/22/86/371482286.db2.gz OXRHPGQGIIVYEJ-WDEREUQCSA-N 1 0 234.334 2.374 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCOCC1)CC2 ZINC000335185775 371532025 /nfs/dbraw/zinc/53/20/25/371532025.db2.gz ZFFSZCAHEGNKOF-OAHLLOKOSA-N 1 0 242.322 2.314 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCOCC1)CC2 ZINC000335185774 371532316 /nfs/dbraw/zinc/53/23/16/371532316.db2.gz ZFFSZCAHEGNKOF-HNNXBMFYSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000161707239 371554677 /nfs/dbraw/zinc/55/46/77/371554677.db2.gz SOTORPAGKWUZGE-OAHLLOKOSA-N 1 0 230.355 2.427 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000226743129 371735712 /nfs/dbraw/zinc/73/57/12/371735712.db2.gz LKVJXGWZZJMRIH-UHFFFAOYSA-N 1 0 238.356 2.259 20 30 BEEDRO COCC[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000227351537 371843240 /nfs/dbraw/zinc/84/32/40/371843240.db2.gz TZYDDJHTQRIITD-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000162950465 371892467 /nfs/dbraw/zinc/89/24/67/371892467.db2.gz RYUDQFROLIRAIA-UHFFFAOYSA-N 1 0 216.284 2.176 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](CNC(=O)CCC)C1 ZINC000132741327 371911106 /nfs/dbraw/zinc/91/11/06/371911106.db2.gz ZIKLKJUQXAXQJH-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000178283803 134305707 /nfs/dbraw/zinc/30/57/07/134305707.db2.gz IFNSCBAXUOOCNK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164623268 372173857 /nfs/dbraw/zinc/17/38/57/372173857.db2.gz RBPRDGIYQKFWDQ-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](CO)C2)C1 ZINC000631199205 372229715 /nfs/dbraw/zinc/22/97/15/372229715.db2.gz YRSDYEKZWHXMNL-LPWJVIDDSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000631237206 372253458 /nfs/dbraw/zinc/25/34/58/372253458.db2.gz DSHKWCKMAYOQNA-ZDUSSCGKSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C1CC(C)(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000633327545 373478352 /nfs/dbraw/zinc/47/83/52/373478352.db2.gz GMIFXRQREIRZLN-YHWZYXNKSA-N 1 0 248.370 2.084 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676097 373592623 /nfs/dbraw/zinc/59/26/23/373592623.db2.gz XJGXHPJMQWBPAJ-JTQLQIEISA-N 1 0 233.271 2.029 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1([S@](C)=O)CC1 ZINC000308895025 205689572 /nfs/dbraw/zinc/68/95/72/205689572.db2.gz ZAIRFGPNUDPXOG-PGUXBMHVSA-N 1 0 229.389 2.088 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000186693469 205724019 /nfs/dbraw/zinc/72/40/19/205724019.db2.gz SSUMQHHHSAPSGE-MELADBBJSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(=O)NC(C)C ZINC000414350230 205758726 /nfs/dbraw/zinc/75/87/26/205758726.db2.gz UEXAHRDZXSSPHD-NEPJUHHUSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C1CCSCC1 ZINC000187545010 205803772 /nfs/dbraw/zinc/80/37/72/205803772.db2.gz ANEFGFSKRIRDEP-CMPLNLGQSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000187679463 205811831 /nfs/dbraw/zinc/81/18/31/205811831.db2.gz BKOBCEKVFBNACS-RWMBFGLXSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C(=O)N(C)CC ZINC000189405685 205865858 /nfs/dbraw/zinc/86/58/58/205865858.db2.gz WMPNLRFETJASSQ-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1cccc(C#N)c1 ZINC000041159457 374117139 /nfs/dbraw/zinc/11/71/39/374117139.db2.gz FBKWCBUXNDFAAT-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO CS[C@H](C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193043038 205971226 /nfs/dbraw/zinc/97/12/26/205971226.db2.gz WAOPLCUTHPXQNB-VWYCJHECSA-N 1 0 212.362 2.410 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000194033102 205999945 /nfs/dbraw/zinc/99/99/45/205999945.db2.gz LWAMVSYPQMYYEM-UWVGGRQHSA-N 1 0 232.274 2.288 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCCOC(F)F)C1 ZINC000194033115 206001706 /nfs/dbraw/zinc/00/17/06/206001706.db2.gz LWAMVSYPQMYYEM-ZJUUUORDSA-N 1 0 232.274 2.288 20 30 BEEDRO C=CC[N@@H+](CCOC)C1CC(OC(C)C)C1 ZINC000459417520 206011408 /nfs/dbraw/zinc/01/14/08/206011408.db2.gz HTYDBARLOZMIAR-UHFFFAOYSA-N 1 0 227.348 2.077 20 30 BEEDRO COCC(C)(C)C[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000426419232 206049588 /nfs/dbraw/zinc/04/95/88/206049588.db2.gz IAFSJZPHWCZZCG-NSHDSACASA-N 1 0 224.348 2.283 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnn(CCOC)c1 ZINC000426562364 206050459 /nfs/dbraw/zinc/05/04/59/206050459.db2.gz RRTDNUMIVHQIHG-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000426573663 206050839 /nfs/dbraw/zinc/05/08/39/206050839.db2.gz ONPSSPMSAUUTGH-LBPRGKRZSA-N 1 0 248.326 2.342 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CC[C@H]1CCOC1 ZINC000426564209 206052350 /nfs/dbraw/zinc/05/23/50/206052350.db2.gz CAAJXTKTUKLZAX-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCC[NH2+][C@@H](COC)C1CCOCC1 ZINC000437024262 206068207 /nfs/dbraw/zinc/06/82/07/206068207.db2.gz JTGFCDRCVXXSCJ-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCC[C@H]1C(=O)OCC ZINC000451588916 206109257 /nfs/dbraw/zinc/10/92/57/206109257.db2.gz GUOSYFDRPVXFNP-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CC[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000459544171 206134383 /nfs/dbraw/zinc/13/43/83/206134383.db2.gz QHABJWKSUKROOQ-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H]1CCC2(CCCCC2)O1 ZINC000192239675 259585754 /nfs/dbraw/zinc/58/57/54/259585754.db2.gz IWZURZUKRRBKOZ-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CCOCCO ZINC000059090369 1172506825 /nfs/dbraw/zinc/50/68/25/1172506825.db2.gz WQUHWXBMNYPUED-CYBMUJFWSA-N 1 0 231.380 2.334 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CC(=O)NC ZINC000059199034 1172518171 /nfs/dbraw/zinc/51/81/71/1172518171.db2.gz UQMKNGSHUCVLLS-NSHDSACASA-N 1 0 214.353 2.071 20 30 BEEDRO CCC[NH+]1CCC(NCc2ccc(C#N)o2)CC1 ZINC000135133515 169188970 /nfs/dbraw/zinc/18/89/70/169188970.db2.gz DUETWIVTIHNBQI-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO CCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000083729894 169266414 /nfs/dbraw/zinc/26/64/14/169266414.db2.gz OXBSVKSYQXLUOQ-UHFFFAOYSA-N 1 0 204.273 2.066 20 30 BEEDRO C[C@H](NCc1cc(C#N)ccn1)c1ccns1 ZINC001644059371 1172521922 /nfs/dbraw/zinc/52/19/22/1172521922.db2.gz VTBLVTOYLXFFFS-VIFPVBQESA-N 1 0 244.323 2.261 20 30 BEEDRO C#CCCC[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000181832691 134340199 /nfs/dbraw/zinc/34/01/99/134340199.db2.gz JSVMWVQSUDTITH-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H](C)CO ZINC000059535825 1172547087 /nfs/dbraw/zinc/54/70/87/1172547087.db2.gz HMASFUWWKAKDKC-KGLIPLIRSA-N 1 0 245.407 2.316 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001644370635 1172550037 /nfs/dbraw/zinc/55/00/37/1172550037.db2.gz BKXSBOQOPPPXLZ-QWHCGFSZSA-N 1 0 244.342 2.348 20 30 BEEDRO CC(C)CC[N@H+](C)Cc1cc(C#N)ccn1 ZINC001644367727 1172552442 /nfs/dbraw/zinc/55/24/42/1172552442.db2.gz UANPLZAFTMENIX-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)OC ZINC000223877427 134342998 /nfs/dbraw/zinc/34/29/98/134342998.db2.gz CGRGZMMQKUZGMC-LBPRGKRZSA-N 1 0 235.327 2.376 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccn1 ZINC001644621219 1172577748 /nfs/dbraw/zinc/57/77/48/1172577748.db2.gz AUBQHFJPKRYDQA-LLVKDONJSA-N 1 0 217.316 2.431 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)c1cccnc1 ZINC000182886546 134349217 /nfs/dbraw/zinc/34/92/17/134349217.db2.gz LGEKNKVBYKRNHT-LLVKDONJSA-N 1 0 235.356 2.379 20 30 BEEDRO C#CC[N@@H+](CC)C[Si](C)(C)c1ccccc1 ZINC001644743695 1172602766 /nfs/dbraw/zinc/60/27/66/1172602766.db2.gz MTBHVAVAZSHIEW-UHFFFAOYSA-N 1 0 231.415 2.096 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001644985718 1172623414 /nfs/dbraw/zinc/62/34/14/1172623414.db2.gz HOJVKFZIINVOLY-VHSXEESVSA-N 1 0 214.259 2.267 20 30 BEEDRO C#CCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000267432887 532999628 /nfs/dbraw/zinc/99/96/28/532999628.db2.gz MXQQGMDXGJVZQM-UHFFFAOYSA-N 1 0 215.300 2.053 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000229514099 259640970 /nfs/dbraw/zinc/64/09/70/259640970.db2.gz YAYFSDRFYYFEFG-LLVKDONJSA-N 1 0 218.256 2.096 20 30 BEEDRO C=CCC(F)(F)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647144614 383843255 /nfs/dbraw/zinc/84/32/55/383843255.db2.gz BNQHKOYGAIGXAM-SSDOTTSWSA-N 1 0 229.230 2.162 20 30 BEEDRO CC#CC[N@H+](C)CC[C@H](O)c1ccccc1 ZINC000298355545 383851338 /nfs/dbraw/zinc/85/13/38/383851338.db2.gz MSLPXHHRSVBADB-AWEZNQCLSA-N 1 0 217.312 2.065 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N(C)C(C)C ZINC000152529776 383851723 /nfs/dbraw/zinc/85/17/23/383851723.db2.gz PXTHLRKHJUJLJE-GFCCVEGCSA-N 1 0 226.364 2.140 20 30 BEEDRO C=C[C@](C)(CC)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647146224 383852900 /nfs/dbraw/zinc/85/29/00/383852900.db2.gz PTOKHCCUSLAQNA-JOYOIKCWSA-N 1 0 221.304 2.348 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000020361804 383861951 /nfs/dbraw/zinc/86/19/51/383861951.db2.gz UZWQRNPTKSMINY-AWEZNQCLSA-N 1 0 216.328 2.037 20 30 BEEDRO Cn1cc(C[NH2+]C[C@H]2CCCSC2)cc1C#N ZINC000288463050 383893934 /nfs/dbraw/zinc/89/39/34/383893934.db2.gz OGILEYDJQCKQLU-LLVKDONJSA-N 1 0 249.383 2.130 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2ccncn2)CC1 ZINC000298493675 383903361 /nfs/dbraw/zinc/90/33/61/383903361.db2.gz UHHBHFRNKKSGBP-UHFFFAOYSA-N 1 0 217.316 2.232 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000298745963 383986083 /nfs/dbraw/zinc/98/60/83/383986083.db2.gz CDUVNRJJWIRZGD-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000339527248 383990375 /nfs/dbraw/zinc/99/03/75/383990375.db2.gz OFMCEYSJFCDMCV-OAHLLOKOSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000560239309 383999489 /nfs/dbraw/zinc/99/94/89/383999489.db2.gz KLKUVFWMBBODHN-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO CCC1(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000165456848 383999725 /nfs/dbraw/zinc/99/97/25/383999725.db2.gz DCSANVFBVYOVRV-UHFFFAOYSA-N 1 0 204.273 2.431 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCCO1 ZINC000348195733 383936943 /nfs/dbraw/zinc/93/69/43/383936943.db2.gz XYHGYZLEHASSEC-SWLSCSKDSA-N 1 0 244.338 2.410 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000116927088 383938211 /nfs/dbraw/zinc/93/82/11/383938211.db2.gz FXMIBSAZVVMSDG-JTQLQIEISA-N 1 0 221.300 2.455 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449355638 383960667 /nfs/dbraw/zinc/96/06/67/383960667.db2.gz BSUUUJHAODLJKX-IYXRBSQSSA-N 1 0 238.375 2.457 20 30 BEEDRO Cc1cc(CN2CCO[C@H](CF)C2)ccc1C#N ZINC000334830972 383963631 /nfs/dbraw/zinc/96/36/31/383963631.db2.gz VHUMDEKXKFUTRX-CQSZACIVSA-N 1 0 248.301 2.037 20 30 BEEDRO C=C(Cl)CN[C@@H](C)c1nnc2ccccn21 ZINC000298851822 384023757 /nfs/dbraw/zinc/02/37/57/384023757.db2.gz IQFCUQXEZNZFFE-VIFPVBQESA-N 1 0 236.706 2.132 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1cccc(C)c1 ZINC000298855998 384024819 /nfs/dbraw/zinc/02/48/19/384024819.db2.gz NYMFPKJEDPBBQU-ZDUSSCGKSA-N 1 0 246.354 2.118 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)Nc1ccnc(C#N)c1 ZINC000289072411 384011081 /nfs/dbraw/zinc/01/10/81/384011081.db2.gz NPAGBTARZRHJGA-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C[N@H+](CCOc1ccccc1C#N)C1CCC1 ZINC000135415612 384044450 /nfs/dbraw/zinc/04/44/50/384044450.db2.gz NTZNRWKGMRXZHI-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000560278768 384031674 /nfs/dbraw/zinc/03/16/74/384031674.db2.gz XBUAGQCTOGENCS-LLVKDONJSA-N 1 0 219.275 2.045 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)OC ZINC000449379430 384085872 /nfs/dbraw/zinc/08/58/72/384085872.db2.gz TVCWVBFYAKDLEQ-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H]([NH2+]C[C@H](C)N(C)C)c1cccc(C#N)c1 ZINC000038087451 384058750 /nfs/dbraw/zinc/05/87/50/384058750.db2.gz GFGLFDKAIIDIII-RYUDHWBXSA-N 1 0 231.343 2.159 20 30 BEEDRO CN(CC1([NH+](C)C)CCC1)c1ccc(C#N)cc1 ZINC000097932759 384063820 /nfs/dbraw/zinc/06/38/20/384063820.db2.gz SPZVDKRKRPRCFR-UHFFFAOYSA-N 1 0 243.354 2.479 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282253456 533033259 /nfs/dbraw/zinc/03/32/59/533033259.db2.gz QNKKFJRCTMWIFQ-LBPRGKRZSA-N 1 0 219.332 2.183 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cncn1C(C)C)C(C)C ZINC000300870308 384125515 /nfs/dbraw/zinc/12/55/15/384125515.db2.gz HMVVWMSBDLGTBB-CYBMUJFWSA-N 1 0 219.332 2.211 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2)CCOC1 ZINC000344377866 384127321 /nfs/dbraw/zinc/12/73/21/384127321.db2.gz HPWNOXDRYNYBSN-AWEZNQCLSA-N 1 0 230.311 2.074 20 30 BEEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2F)CCCOC1 ZINC000221352124 384149338 /nfs/dbraw/zinc/14/93/38/384149338.db2.gz HPGLOWVMGQPURY-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1 ZINC000187018195 384153455 /nfs/dbraw/zinc/15/34/55/384153455.db2.gz MOFNXYLOMBNDRQ-KFWWJZLASA-N 1 0 242.322 2.215 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000449517721 384155537 /nfs/dbraw/zinc/15/55/37/384155537.db2.gz HCFXILXCFKOVQH-NEPJUHHUSA-N 1 0 234.324 2.053 20 30 BEEDRO CC(C)[NH+](CCNc1ccc(C#N)nc1)C(C)C ZINC000128098566 384155569 /nfs/dbraw/zinc/15/55/69/384155569.db2.gz IWLMXIKLNXSXFM-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000186987493 384142909 /nfs/dbraw/zinc/14/29/09/384142909.db2.gz IMPNAXIONXVHFD-KFWWJZLASA-N 1 0 242.322 2.215 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000336254840 384184779 /nfs/dbraw/zinc/18/47/79/384184779.db2.gz SCTWDTZSRQFURO-ZDUSSCGKSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000135215741 384181373 /nfs/dbraw/zinc/18/13/73/384181373.db2.gz BFVXWPYXSMOQNY-SMDDNHRTSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H](CNc1cnccc1C#N)C[NH+]1CCCC1 ZINC000135606387 384194763 /nfs/dbraw/zinc/19/47/63/384194763.db2.gz YKIXUICLLFKPBJ-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374556645 533049513 /nfs/dbraw/zinc/04/95/13/533049513.db2.gz NUDJJBZYRNJHPS-MRXNPFEDSA-N 1 0 243.350 2.036 20 30 BEEDRO C[C@H](CCO)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000097439409 384211694 /nfs/dbraw/zinc/21/16/94/384211694.db2.gz KCYJSPDLSKZYML-VXGBXAGGSA-N 1 0 232.327 2.227 20 30 BEEDRO C[C@]1([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCOC1 ZINC000309400460 134399924 /nfs/dbraw/zinc/39/99/24/134399924.db2.gz HHGDEVBGLYWZKA-UPJWGTAASA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000296135093 533047944 /nfs/dbraw/zinc/04/79/44/533047944.db2.gz ZGSNQBWLKGHKMP-UHFFFAOYSA-N 1 0 212.296 2.194 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000187379075 384223786 /nfs/dbraw/zinc/22/37/86/384223786.db2.gz VEITZCOTUOCULI-UKRRQHHQSA-N 1 0 233.355 2.392 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000286140973 384242735 /nfs/dbraw/zinc/24/27/35/384242735.db2.gz NMWOIEOVCJNDOP-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295966755 533050598 /nfs/dbraw/zinc/05/05/98/533050598.db2.gz NDLFGBHGKSSKOD-AWEZNQCLSA-N 1 0 214.312 2.284 20 30 BEEDRO C=CCCOCC[NH2+]Cc1nc(C)cs1 ZINC000120845033 384254378 /nfs/dbraw/zinc/25/43/78/384254378.db2.gz VGGFVHCFQSFWTF-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CC1CC[NH+]([C@H](CC)C(=O)OCC)CC1 ZINC000173723688 384255582 /nfs/dbraw/zinc/25/55/82/384255582.db2.gz ZWCWRBLUULJYAS-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000235517600 384256641 /nfs/dbraw/zinc/25/66/41/384256641.db2.gz SVIUIDOFRNGDNA-ZDUSSCGKSA-N 1 0 228.339 2.267 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@H](C)O1 ZINC000414515254 384262594 /nfs/dbraw/zinc/26/25/94/384262594.db2.gz NAGHGYNQTGEDKX-VWYCJHECSA-N 1 0 234.299 2.054 20 30 BEEDRO CC[C@H](CSC)[NH2+]Cc1nc(C#N)cs1 ZINC000336770252 384271612 /nfs/dbraw/zinc/27/16/12/384271612.db2.gz VLYYVAXDNZTPHX-MRVPVSSYSA-N 1 0 241.385 2.246 20 30 BEEDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000306154036 384307072 /nfs/dbraw/zinc/30/70/72/384307072.db2.gz BHPQMRGTOSIUFB-MMWGEVLESA-N 1 0 210.346 2.162 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)s2)CO1 ZINC000335355882 384280240 /nfs/dbraw/zinc/28/02/40/384280240.db2.gz JDGIXQXVROTMDV-SECBINFHSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cn[nH]c1 ZINC000229884450 384281564 /nfs/dbraw/zinc/28/15/64/384281564.db2.gz OYYFDOWOWUMNNX-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000335545699 384300744 /nfs/dbraw/zinc/30/07/44/384300744.db2.gz YDVLHHUAIZIDGG-IUODEOHRSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C1CCOCC1 ZINC000134484737 384335532 /nfs/dbraw/zinc/33/55/32/384335532.db2.gz QGRSFYJKNPFEEI-GFCCVEGCSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC[C@H](O)C(F)(F)F ZINC000308834860 384337821 /nfs/dbraw/zinc/33/78/21/384337821.db2.gz HRRWEAYHFQUFBH-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)OC)cc1 ZINC000188113032 384358231 /nfs/dbraw/zinc/35/82/31/384358231.db2.gz RTYINDZBYWKQTQ-CHWSQXEVSA-N 1 0 247.338 2.384 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](C)OC)cc1 ZINC000188112962 384359357 /nfs/dbraw/zinc/35/93/57/384359357.db2.gz RTYINDZBYWKQTQ-STQMWFEESA-N 1 0 247.338 2.384 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000625653687 384367737 /nfs/dbraw/zinc/36/77/37/384367737.db2.gz SSTHDJQRYJWMPF-PHIMTYICSA-N 1 0 233.302 2.412 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccccc1C#N ZINC000335757711 384371619 /nfs/dbraw/zinc/37/16/19/384371619.db2.gz MITCWDGFTWVDDN-STQMWFEESA-N 1 0 243.354 2.083 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000335662367 384325037 /nfs/dbraw/zinc/32/50/37/384325037.db2.gz OQMVYMFDFLJWKI-BTTYYORXSA-N 1 0 212.296 2.446 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CC23CCCC3)cc1C#N ZINC000335711520 384333613 /nfs/dbraw/zinc/33/36/13/384333613.db2.gz JMHZRCKVJKDSBJ-ZDUSSCGKSA-N 1 0 229.327 2.319 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCc1ncn(C)n1)C1CC1 ZINC000647326634 384402826 /nfs/dbraw/zinc/40/28/26/384402826.db2.gz IXSXWTVRMXCOCU-ZDUSSCGKSA-N 1 0 248.374 2.082 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000313496088 384427111 /nfs/dbraw/zinc/42/71/11/384427111.db2.gz YYQRKIVRDVBHQD-UTUOFQBUSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000313493040 384421745 /nfs/dbraw/zinc/42/17/45/384421745.db2.gz DEPGAOVOOUBDMD-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO CCCN(CC#N)Cc1cn2ccccc2n1 ZINC000045092588 384375865 /nfs/dbraw/zinc/37/58/65/384375865.db2.gz LVMYCNMTHCHYNE-UHFFFAOYSA-N 1 0 228.299 2.070 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]Cc1cc(C#N)cs1 ZINC000165167848 384388283 /nfs/dbraw/zinc/38/82/83/384388283.db2.gz UBDMHVOTEZOUAQ-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000566408141 384391248 /nfs/dbraw/zinc/39/12/48/384391248.db2.gz SSCLLDSVNDINBE-ZDEQEGDKSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)CN(CC)Cc1nc([C@H](C)OC)no1 ZINC000175063310 384391308 /nfs/dbraw/zinc/39/13/08/384391308.db2.gz IQKNOOWAOIOFRY-JTQLQIEISA-N 1 0 239.319 2.175 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@H](C)[N@H+]1C ZINC000135265058 384428050 /nfs/dbraw/zinc/42/80/50/384428050.db2.gz DSWCTMRHDIJPOW-PHIMTYICSA-N 1 0 247.317 2.226 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@@]2(C)CO)ccc1C#N ZINC000558995534 384465307 /nfs/dbraw/zinc/46/53/07/384465307.db2.gz MAJKXAGWSGTXIF-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CCCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000102466260 384469951 /nfs/dbraw/zinc/46/99/51/384469951.db2.gz MGTBYYXXAMGAFB-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(OC)cc(OC)c1 ZINC000490898735 384472740 /nfs/dbraw/zinc/47/27/40/384472740.db2.gz LQBMRNVLQCMJIF-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO C#CC[N@@H+](CC)Cc1c(C)nc2ccccn21 ZINC000490898287 384473195 /nfs/dbraw/zinc/47/31/95/384473195.db2.gz JFDPXRZYNKCQNK-UHFFFAOYSA-N 1 0 227.311 2.098 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)c1cn[nH]c1 ZINC000340534897 384479085 /nfs/dbraw/zinc/47/90/85/384479085.db2.gz SRQYWSGLXFLLJY-NSHDSACASA-N 1 0 240.310 2.175 20 30 BEEDRO C[C@@H]1CSCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249099184 384483505 /nfs/dbraw/zinc/48/35/05/384483505.db2.gz UMFPLLSQEZUTHX-NWDGAFQWSA-N 1 0 237.372 2.115 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000079736484 384511473 /nfs/dbraw/zinc/51/14/73/384511473.db2.gz BKWGXWURXUYVFU-CYBMUJFWSA-N 1 0 248.326 2.104 20 30 BEEDRO CC[NH+](CC)CC(=O)Nc1cccc(C#N)c1C ZINC000178768840 384513541 /nfs/dbraw/zinc/51/35/41/384513541.db2.gz LMEJWYOSKFLRPZ-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO COc1ccccc1C[NH+]1CCC(C#N)CC1 ZINC000079840105 384517604 /nfs/dbraw/zinc/51/76/04/384517604.db2.gz XILYGEGEEURMFW-UHFFFAOYSA-N 1 0 230.311 2.431 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000449445992 384540516 /nfs/dbraw/zinc/54/05/16/384540516.db2.gz NJFYICMLJWESBJ-AAEUAGOBSA-N 1 0 245.326 2.262 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449252783 384571331 /nfs/dbraw/zinc/57/13/31/384571331.db2.gz WKHQLOCSBYIMDX-JUJXPVOVSA-N 1 0 236.359 2.376 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])Nc1ccc(OC)cc1 ZINC000491765234 384589928 /nfs/dbraw/zinc/58/99/28/384589928.db2.gz FERDZSHPIGUENV-LLVKDONJSA-N 1 0 245.326 2.433 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cnn(C)c1 ZINC000117876763 384605899 /nfs/dbraw/zinc/60/58/99/384605899.db2.gz KMEGCNCZGDNPOF-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CCOCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403265747 384611809 /nfs/dbraw/zinc/61/18/09/384611809.db2.gz ZDIPPPYGHJJCSJ-UPJWGTAASA-N 1 0 209.333 2.215 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CC1(OC)CCCCC1 ZINC000309207048 384622976 /nfs/dbraw/zinc/62/29/76/384622976.db2.gz SFFPQGSIBMFVAD-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H](CC)[NH2+]CCCc1cnccc1C ZINC000310042046 384600243 /nfs/dbraw/zinc/60/02/43/384600243.db2.gz ZEFJMIOJLJOMTQ-CQSZACIVSA-N 1 0 216.328 2.324 20 30 BEEDRO C[NH2+]CCSCc1cccc(F)c1C#N ZINC000565597947 384672803 /nfs/dbraw/zinc/67/28/03/384672803.db2.gz OVSYSUCVBHMUPL-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042338042 384637964 /nfs/dbraw/zinc/63/79/64/384637964.db2.gz VPCFIIIGIHSFLP-LLVKDONJSA-N 1 0 218.300 2.025 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000042338049 384640556 /nfs/dbraw/zinc/64/05/56/384640556.db2.gz HJYKVWWASNKAPS-NSHDSACASA-N 1 0 218.300 2.025 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000491774721 384647011 /nfs/dbraw/zinc/64/70/11/384647011.db2.gz AULCEPCSFYPBGQ-DZGCQCFKSA-N 1 0 245.366 2.495 20 30 BEEDRO C[C@H](CC[NH+](C)C)Nc1ccc(C#N)cc1F ZINC000044388940 384657117 /nfs/dbraw/zinc/65/71/17/384657117.db2.gz MBVCKISIYDGUDU-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000155018950 384689540 /nfs/dbraw/zinc/68/95/40/384689540.db2.gz BITLOGXBFWPVGN-UHFFFAOYSA-N 1 0 249.310 2.220 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccnn1CC(C)C ZINC000647191541 384720604 /nfs/dbraw/zinc/72/06/04/384720604.db2.gz SHFDICVIBZWARL-NSHDSACASA-N 1 0 207.321 2.203 20 30 BEEDRO COc1ccc(C[NH2+]CCCCC#N)cc1C#N ZINC000174347575 384777960 /nfs/dbraw/zinc/77/79/60/384777960.db2.gz MWRPKDXINDIYSZ-UHFFFAOYSA-N 1 0 243.310 2.350 20 30 BEEDRO Cc1cccnc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309698007 384741265 /nfs/dbraw/zinc/74/12/65/384741265.db2.gz LSROUYUQXKCBRM-RYUDHWBXSA-N 1 0 215.300 2.172 20 30 BEEDRO CC#CCC[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000155696799 384742356 /nfs/dbraw/zinc/74/23/56/384742356.db2.gz BDTXLLZEEWPQBV-OAHLLOKOSA-N 1 0 247.338 2.074 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000309973110 384755002 /nfs/dbraw/zinc/75/50/02/384755002.db2.gz QROIKVXYQRRAQW-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CCc1ncc(C[NH2+]CC2(CC#N)CC2)s1 ZINC000309977241 384758541 /nfs/dbraw/zinc/75/85/41/384758541.db2.gz UFHIQFJEYYCYJX-UHFFFAOYSA-N 1 0 235.356 2.489 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1ncccc1C#N ZINC000227920646 384759030 /nfs/dbraw/zinc/75/90/30/384759030.db2.gz LZDZQCIXVLYBFD-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)C)CC1 ZINC000106037280 384820393 /nfs/dbraw/zinc/82/03/93/384820393.db2.gz DZUYVEVOCMCINN-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@H+](C)CCNc1ccc(C#N)cc1F ZINC000054128029 384822098 /nfs/dbraw/zinc/82/20/98/384822098.db2.gz JQCGZOHEXXYGOO-UHFFFAOYSA-N 1 0 221.279 2.061 20 30 BEEDRO C[C@@H]1[C@H](C)OCC[N@@H+]1CCCC(C)(C)C#N ZINC000156207094 384826889 /nfs/dbraw/zinc/82/68/89/384826889.db2.gz ZEUKCUBETNRQEO-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000156227498 384827679 /nfs/dbraw/zinc/82/76/79/384827679.db2.gz KOOYEZBCXQZGJR-OAHLLOKOSA-N 1 0 247.313 2.288 20 30 BEEDRO CCCCNC(=[NH2+])NCCOc1ccc(C)cc1 ZINC000104154067 384804924 /nfs/dbraw/zinc/80/49/24/384804924.db2.gz ZPKQFZAANMNPEG-UHFFFAOYSA-N 1 0 249.358 2.078 20 30 BEEDRO Cc1ccccc1CCNC(=[NH2+])NCC(C)C ZINC000104156064 384805125 /nfs/dbraw/zinc/80/51/25/384805125.db2.gz KVQKRPAVCRWSIH-UHFFFAOYSA-N 1 0 233.359 2.098 20 30 BEEDRO C=CCCCC[NH2+]Cc1snnc1C ZINC000308557922 384805337 /nfs/dbraw/zinc/80/53/37/384805337.db2.gz CGLYXZLZENJLEZ-UHFFFAOYSA-N 1 0 211.334 2.292 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000398107945 384808872 /nfs/dbraw/zinc/80/88/72/384808872.db2.gz LNJDUNCOYIFNCC-BFHYXJOUSA-N 1 0 240.391 2.088 20 30 BEEDRO CCCN(CC)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310029589 384812615 /nfs/dbraw/zinc/81/26/15/384812615.db2.gz QRGDMVNEAHPPIN-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO CCCN(CC)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310029590 384813433 /nfs/dbraw/zinc/81/34/33/384813433.db2.gz QRGDMVNEAHPPIN-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000309848871 384873013 /nfs/dbraw/zinc/87/30/13/384873013.db2.gz WIPWFGNFYAECTG-PQAZSJQKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCSCC[NH2+]Cc1nc(C)ccc1O ZINC000163891898 384873848 /nfs/dbraw/zinc/87/38/48/384873848.db2.gz OAQBXIDPOWXZHB-UHFFFAOYSA-N 1 0 238.356 2.104 20 30 BEEDRO C#CC[N@@H+](CC[C@H](C)O)[C@H]1CCc2ccccc21 ZINC000491821877 384875170 /nfs/dbraw/zinc/87/51/70/384875170.db2.gz YUBWUECHWYDWJL-BBRMVZONSA-N 1 0 243.350 2.380 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(F)(F)CC1 ZINC000647199330 384875433 /nfs/dbraw/zinc/87/54/33/384875433.db2.gz YJDOVLDYIQYJLG-SNVBAGLBSA-N 1 0 233.302 2.339 20 30 BEEDRO CCCC(N)=NOCCOc1ccc(C#N)cc1 ZINC000105605095 384875528 /nfs/dbraw/zinc/87/55/28/384875528.db2.gz LVYWCOFNXDVQLS-UHFFFAOYSA-N 1 0 247.298 2.026 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cncnc1OC ZINC000647199939 384875693 /nfs/dbraw/zinc/87/56/93/384875693.db2.gz ZNJHTJLZMCRBCQ-NSHDSACASA-N 1 0 235.331 2.320 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)nc1 ZINC000309849893 384875726 /nfs/dbraw/zinc/87/57/26/384875726.db2.gz IOYAZMKJZMZOOG-NWDGAFQWSA-N 1 0 215.300 2.172 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000177152606 384887097 /nfs/dbraw/zinc/88/70/97/384887097.db2.gz LFRRNPLZHLBOBG-VXGBXAGGSA-N 1 0 236.359 2.084 20 30 BEEDRO COc1cc(C[NH2+]C[C@@H]2C[C@H]2C)ccc1C#N ZINC000234919023 384887518 /nfs/dbraw/zinc/88/75/18/384887518.db2.gz BGGRLVIOSVUAQA-MFKMUULPSA-N 1 0 230.311 2.312 20 30 BEEDRO C[C@@H](O)[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000187720060 384840625 /nfs/dbraw/zinc/84/06/25/384840625.db2.gz UUWPFPTVVKNILC-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000363949101 384889379 /nfs/dbraw/zinc/88/93/79/384889379.db2.gz STONABHHYZGHQN-FRRDWIJNSA-N 1 0 221.344 2.500 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000193343724 384952006 /nfs/dbraw/zinc/95/20/06/384952006.db2.gz LVKCRVIDGRWCQA-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000156771944 384953027 /nfs/dbraw/zinc/95/30/27/384953027.db2.gz FRNQOAVERWHGFC-UONOGXRCSA-N 1 0 231.343 2.179 20 30 BEEDRO C=CCCCC[NH2+]Cc1cc(COC)on1 ZINC000297727782 384901057 /nfs/dbraw/zinc/90/10/57/384901057.db2.gz SGQWNYKUIZFKPF-UHFFFAOYSA-N 1 0 224.304 2.267 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc(OCCOC)c1 ZINC000119621327 384907917 /nfs/dbraw/zinc/90/79/17/384907917.db2.gz YRGZZKUANPDYAN-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1c(F)cccc1F ZINC000320303402 384924003 /nfs/dbraw/zinc/92/40/03/384924003.db2.gz TVBBRPFEQHBAMD-SNVBAGLBSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000497280454 384938376 /nfs/dbraw/zinc/93/83/76/384938376.db2.gz VWYDYJCVVCLORO-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@H]1C[C@@H]1c1ccccc1 ZINC000491465253 384941012 /nfs/dbraw/zinc/94/10/12/384941012.db2.gz VPIRHVQXKWADAH-BZUAXINKSA-N 1 0 241.334 2.124 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156746530 384947933 /nfs/dbraw/zinc/94/79/33/384947933.db2.gz KIESBHMGQRSTAV-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCCO1 ZINC000135496497 384972738 /nfs/dbraw/zinc/97/27/38/384972738.db2.gz UVGHFBOZYPEUTC-JOYOIKCWSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000135497442 384980750 /nfs/dbraw/zinc/98/07/50/384980750.db2.gz HFYZGMPPICTDEM-SNVBAGLBSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCCCC[NH2+][C@]1(CCOC)CCOC1 ZINC000556226740 384991022 /nfs/dbraw/zinc/99/10/22/384991022.db2.gz PPSJKTBMICVBTM-CYBMUJFWSA-N 1 0 227.348 2.128 20 30 BEEDRO COCC[C@@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000309981792 384997227 /nfs/dbraw/zinc/99/72/27/384997227.db2.gz WJZUSJIUTYIIAR-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCc1cc(F)ccc1F ZINC000107929468 385010552 /nfs/dbraw/zinc/01/05/52/385010552.db2.gz LMJFBMXKSGSHHR-UHFFFAOYSA-N 1 0 241.285 2.168 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000188868717 385014354 /nfs/dbraw/zinc/01/43/54/385014354.db2.gz DOJGYODYJPEFPA-ZDUSSCGKSA-N 1 0 236.315 2.302 20 30 BEEDRO C=CC[C@@H](CO)Nc1cc(C)nc(C(C)C)n1 ZINC000302129733 384961237 /nfs/dbraw/zinc/96/12/37/384961237.db2.gz JSQRJADDOXFRLK-NSHDSACASA-N 1 0 235.331 2.257 20 30 BEEDRO COc1cccc(CO[NH+]=C(N)C(C)C)c1 ZINC000128538669 385047778 /nfs/dbraw/zinc/04/77/78/385047778.db2.gz LUJNDNNMQUAKSR-UHFFFAOYSA-N 1 0 222.288 2.140 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000088162498 385049255 /nfs/dbraw/zinc/04/92/55/385049255.db2.gz OJAABNLFZQCTSE-NSHDSACASA-N 1 0 203.285 2.369 20 30 BEEDRO Cc1nc(CO[NH+]=C(N)C(C)C)sc1C ZINC000128620083 385054646 /nfs/dbraw/zinc/05/46/46/385054646.db2.gz MCIIBTWKQOUEBF-UHFFFAOYSA-N 1 0 227.333 2.205 20 30 BEEDRO CCC#C[C@H](C)N1CCC[N@@H+](C(C)C)CC1 ZINC000644662449 385073066 /nfs/dbraw/zinc/07/30/66/385073066.db2.gz WSUQWPXQXMXNBN-AWEZNQCLSA-N 1 0 222.376 2.204 20 30 BEEDRO Cn1cc(C[NH2+]C(C)(C)C2CC2)cc1C#N ZINC000236110980 385030098 /nfs/dbraw/zinc/03/00/98/385030098.db2.gz QGJAAXJOZJFQTG-UHFFFAOYSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CC[N@H+](C)CCOc1ccccc1C#N ZINC000108386240 385036356 /nfs/dbraw/zinc/03/63/56/385036356.db2.gz VFSZDNPWCZGKFB-UHFFFAOYSA-N 1 0 216.284 2.055 20 30 BEEDRO CC(C)[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000085273672 385115873 /nfs/dbraw/zinc/11/58/73/385115873.db2.gz URRWAHIUWVQJTD-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO CO[C@](C)(C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000291008255 385131747 /nfs/dbraw/zinc/13/17/47/385131747.db2.gz DNKTWLNERVDHHO-OAHLLOKOSA-N 1 0 244.338 2.463 20 30 BEEDRO C#CC[N@@H+](CCC[C@@H](C)O)Cc1ccccc1 ZINC000491210152 385135018 /nfs/dbraw/zinc/13/50/18/385135018.db2.gz QNRXXCWAIPSUBL-CQSZACIVSA-N 1 0 231.339 2.283 20 30 BEEDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000306644784 385140263 /nfs/dbraw/zinc/14/02/63/385140263.db2.gz NPNUULJGROUHCQ-BBBLOLIVSA-N 1 0 210.346 2.162 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000189100685 385086426 /nfs/dbraw/zinc/08/64/26/385086426.db2.gz DKXHMESGYLJKAJ-DTWKUNHWSA-N 1 0 224.329 2.133 20 30 BEEDRO C=CCCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000157166308 385093874 /nfs/dbraw/zinc/09/38/74/385093874.db2.gz JHTMBHFRQXWCBF-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000246042296 385096262 /nfs/dbraw/zinc/09/62/62/385096262.db2.gz RZVGFMKUWDDQMR-DZGCQCFKSA-N 1 0 248.370 2.489 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)(C)O)cc1C#N ZINC000599431493 385105038 /nfs/dbraw/zinc/10/50/38/385105038.db2.gz HWWZWZKIPLHDHK-LBPRGKRZSA-N 1 0 246.354 2.458 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000424658247 385183042 /nfs/dbraw/zinc/18/30/42/385183042.db2.gz PJHUJCLUWNTPPN-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)s1)N(C)C1CC1 ZINC000176964441 385187741 /nfs/dbraw/zinc/18/77/41/385187741.db2.gz CJCNYYFOLNCKHY-JTQLQIEISA-N 1 0 249.383 2.192 20 30 BEEDRO COCC#CC[NH+](C1CCC1)C1CCC1 ZINC000644785058 385188872 /nfs/dbraw/zinc/18/88/72/385188872.db2.gz LVIRTYQVQCBUAK-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)COC)c1ccc(F)cc1 ZINC000491623148 385192247 /nfs/dbraw/zinc/19/22/47/385192247.db2.gz HTBXPUPMYGKAKM-RISCZKNCSA-N 1 0 235.302 2.372 20 30 BEEDRO COc1cccnc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449750136 385147015 /nfs/dbraw/zinc/14/70/15/385147015.db2.gz SUTWGPGFYZOVST-NWDGAFQWSA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc(C#N)c1 ZINC000189288314 385147972 /nfs/dbraw/zinc/14/79/72/385147972.db2.gz JVQITQJKMUXURL-ZLDLUXBVSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000189284296 385148866 /nfs/dbraw/zinc/14/88/66/385148866.db2.gz GWDJNNWEUQQEIP-ZLDLUXBVSA-N 1 0 244.338 2.370 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1cccc(C#N)c1 ZINC000263835612 385150541 /nfs/dbraw/zinc/15/05/41/385150541.db2.gz WVGKOGHNYMUZFV-NSHDSACASA-N 1 0 218.300 2.073 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000157344087 385155688 /nfs/dbraw/zinc/15/56/88/385155688.db2.gz YXDDMBVMKCTKAV-CVEARBPZSA-N 1 0 243.350 2.273 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000643348431 385163140 /nfs/dbraw/zinc/16/31/40/385163140.db2.gz JYMBFPCVYYKHCL-CQSZACIVSA-N 1 0 246.354 2.121 20 30 BEEDRO CO[C@@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000310809861 385179526 /nfs/dbraw/zinc/17/95/26/385179526.db2.gz BWIRIQSLSXMZMT-HNNXBMFYSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000308859922 385221346 /nfs/dbraw/zinc/22/13/46/385221346.db2.gz ZNGCNXWFWBFJRN-NSHDSACASA-N 1 0 207.321 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000308871608 385228046 /nfs/dbraw/zinc/22/80/46/385228046.db2.gz KAWQWBDZSLWGOR-AGIUHOORSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000343720410 385228915 /nfs/dbraw/zinc/22/89/15/385228915.db2.gz PUSYLUMSRKOHEI-BXUZGUMPSA-N 1 0 244.338 2.127 20 30 BEEDRO C#CC[N@H+](C)CCCNc1nccc2occc21 ZINC000292780239 533109312 /nfs/dbraw/zinc/10/93/12/533109312.db2.gz LSQJOYISVCUADS-UHFFFAOYSA-N 1 0 243.310 2.195 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000289696067 385237127 /nfs/dbraw/zinc/23/71/27/385237127.db2.gz DKXHMESGYLJKAJ-RKDXNWHRSA-N 1 0 224.329 2.133 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)c1cnn(C)c1 ZINC000167254001 385304872 /nfs/dbraw/zinc/30/48/72/385304872.db2.gz CVIWOZKUUUJIIO-GFCCVEGCSA-N 1 0 220.320 2.155 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1COCC1(C)C ZINC000313067210 385324219 /nfs/dbraw/zinc/32/42/19/385324219.db2.gz PTQLQYDYVWQDKC-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO N#CCCCC[NH2+][C@H](CO)c1ccsc1 ZINC000308949768 385311149 /nfs/dbraw/zinc/31/11/49/385311149.db2.gz UOOQYGDRCYDOCT-LLVKDONJSA-N 1 0 224.329 2.065 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000334152254 385315480 /nfs/dbraw/zinc/31/54/80/385315480.db2.gz VOWBAASAXURCDW-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cc(C)cc(OC)c1 ZINC000130650000 385272744 /nfs/dbraw/zinc/27/27/44/385272744.db2.gz JLLAWHUPRSBBSF-UHFFFAOYSA-N 1 0 249.358 2.208 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(C#N)o2)O1 ZINC000189721508 385288213 /nfs/dbraw/zinc/28/82/13/385288213.db2.gz ZCEABIKVPUMBBI-GFCCVEGCSA-N 1 0 234.299 2.198 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000308920523 385292915 /nfs/dbraw/zinc/29/29/15/385292915.db2.gz CDOSMUIPLBRDBP-YNEHKIRRSA-N 1 0 210.365 2.413 20 30 BEEDRO CC#CC[N@H+](C)[C@H](C)c1cccc(O)c1 ZINC000157975415 385301989 /nfs/dbraw/zinc/30/19/89/385301989.db2.gz ZCBBXDQCIHZQDC-LLVKDONJSA-N 1 0 203.285 2.408 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)c1cccc(F)c1 ZINC000309012786 385360746 /nfs/dbraw/zinc/36/07/46/385360746.db2.gz SLKFGFAJXKESDX-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccccc1C#N ZINC000181487405 385363905 /nfs/dbraw/zinc/36/39/05/385363905.db2.gz UBXKBAYMBURUIG-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000309022006 385374195 /nfs/dbraw/zinc/37/41/95/385374195.db2.gz VJUDIFSNPZULDQ-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCSCC ZINC000309041142 385377717 /nfs/dbraw/zinc/37/77/17/385377717.db2.gz LJAWZMYCFQGXAB-NEPJUHHUSA-N 1 0 229.389 2.310 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000491352154 385382656 /nfs/dbraw/zinc/38/26/56/385382656.db2.gz XWHURTAGIQIAHR-SNVBAGLBSA-N 1 0 229.283 2.171 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(SC)s1 ZINC000309074074 385404324 /nfs/dbraw/zinc/40/43/24/385404324.db2.gz IHSSOLRQHADJEH-SECBINFHSA-N 1 0 243.397 2.497 20 30 BEEDRO C=CC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000309075757 385405614 /nfs/dbraw/zinc/40/56/14/385405614.db2.gz KGZWVIFAIDBBHP-UHFFFAOYSA-N 1 0 203.285 2.460 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CCC2CC2)n1 ZINC000491363310 385405769 /nfs/dbraw/zinc/40/57/69/385405769.db2.gz YUZHLCBBTWVIFR-UHFFFAOYSA-N 1 0 231.343 2.138 20 30 BEEDRO Cc1ccoc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309185749 385449616 /nfs/dbraw/zinc/44/96/16/385449616.db2.gz OSLRJDIYALFDNZ-GHMZBOCLSA-N 1 0 204.273 2.370 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000180083051 385451300 /nfs/dbraw/zinc/45/13/00/385451300.db2.gz MSCVDKKKHQLUSX-JTQLQIEISA-N 1 0 240.310 2.441 20 30 BEEDRO [NH2+]=C(NC[C@H]1CC=CCC1)Nc1ccccn1 ZINC000170909635 385454464 /nfs/dbraw/zinc/45/44/64/385454464.db2.gz WNZCTWFUPSZUJT-NSHDSACASA-N 1 0 230.315 2.165 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911316 385454940 /nfs/dbraw/zinc/45/49/40/385454940.db2.gz GSKZAYCJRKKZRR-OLZOCXBDSA-N 1 0 247.317 2.162 20 30 BEEDRO CN(C)C(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000170909336 385455260 /nfs/dbraw/zinc/45/52/60/385455260.db2.gz GJPWJGJISMMNII-UHFFFAOYSA-N 1 0 245.370 2.375 20 30 BEEDRO CC(C)CCCNC(=[NH2+])Nc1ccccn1 ZINC000170912842 385456787 /nfs/dbraw/zinc/45/67/87/385456787.db2.gz JBVOKOXJGQZPTK-UHFFFAOYSA-N 1 0 220.320 2.244 20 30 BEEDRO Cc1ncc(C[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000309220859 385482460 /nfs/dbraw/zinc/48/24/60/385482460.db2.gz VDPWXJSDAWOBFI-ZJUUUORDSA-N 1 0 221.329 2.233 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444733484 385489773 /nfs/dbraw/zinc/48/97/73/385489773.db2.gz XMBITGQDQIIECQ-MNOVXSKESA-N 1 0 249.276 2.035 20 30 BEEDRO COC[C@H]([NH2+]CCCC(C)(C)C#N)C1CC1 ZINC000183423976 385542810 /nfs/dbraw/zinc/54/28/10/385542810.db2.gz RZZGTPHYHJWONK-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000264476722 385571734 /nfs/dbraw/zinc/57/17/34/385571734.db2.gz YVUGCXZYOGGKSR-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H]1CCOC1 ZINC000309475591 385598818 /nfs/dbraw/zinc/59/88/18/385598818.db2.gz RURDFSWWEWANOK-WUHRBBMRSA-N 1 0 222.332 2.083 20 30 BEEDRO COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)C#N)cc1 ZINC000054180656 385599613 /nfs/dbraw/zinc/59/96/13/385599613.db2.gz BOPVVMHLYPAWTG-RYUDHWBXSA-N 1 0 232.327 2.375 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C#N)c1 ZINC000453371451 385600306 /nfs/dbraw/zinc/60/03/06/385600306.db2.gz GHQXCKQECWWQPN-BYCMXARLSA-N 1 0 244.338 2.370 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H](CO)C2CCC2)CC1 ZINC000595056450 385619163 /nfs/dbraw/zinc/61/91/63/385619163.db2.gz HTJGAPGKWSJMGM-ROKHWSDSSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[N@@H+](Cc1cc(OC)cc(OC)c1)C1CC1 ZINC000299442642 533134281 /nfs/dbraw/zinc/13/42/81/533134281.db2.gz XGLBFPHCZYEPCH-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724825 385629956 /nfs/dbraw/zinc/62/99/56/385629956.db2.gz RKEIGOBBRFYXNK-FRRDWIJNSA-N 1 0 238.375 2.313 20 30 BEEDRO CCC[C@]1([NH2+]CCC(C)(C)C#N)CCOC1 ZINC000336681761 385635063 /nfs/dbraw/zinc/63/50/63/385635063.db2.gz DAXGIKYWRNGWGB-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[N@H+](CCC1CCOCC1)C[C@@H](C)C#N ZINC000309528935 385664134 /nfs/dbraw/zinc/66/41/34/385664134.db2.gz BNMZTWZTGHHVLT-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CCN(C[C@H]1CCCC[N@@H+]1C(C)C)[C@@H](C)C#N ZINC000595821620 385638780 /nfs/dbraw/zinc/63/87/80/385638780.db2.gz XKLAZIKHAXONNU-UONOGXRCSA-N 1 0 237.391 2.483 20 30 BEEDRO C=C(C)CN1CCC([NH2+]CCSCC)CC1 ZINC000309502932 385640879 /nfs/dbraw/zinc/64/08/79/385640879.db2.gz AGRADOVVSRUWKL-UHFFFAOYSA-N 1 0 242.432 2.370 20 30 BEEDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CC#N)C2)n1 ZINC000597174449 385665224 /nfs/dbraw/zinc/66/52/24/385665224.db2.gz QUULNZVOOSJABN-GFCCVEGCSA-N 1 0 245.326 2.221 20 30 BEEDRO CC[N@H+](CCC1CCOCC1)C[C@H](C)C#N ZINC000309528934 385665428 /nfs/dbraw/zinc/66/54/28/385665428.db2.gz BNMZTWZTGHHVLT-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000309541662 385675714 /nfs/dbraw/zinc/67/57/14/385675714.db2.gz GAVANVVTKZWVBR-ONGXEEELSA-N 1 0 240.372 2.429 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000184275837 385678397 /nfs/dbraw/zinc/67/83/97/385678397.db2.gz KMFNMJFTAFMSQS-QWRGUYRKSA-N 1 0 240.372 2.429 20 30 BEEDRO C#CCNC(=[NH+]CC)N1CCC[C@@](C)(CCC)C1 ZINC000261961099 533142564 /nfs/dbraw/zinc/14/25/64/533142564.db2.gz PGECOTRBNZAGGE-OAHLLOKOSA-N 1 0 249.402 2.487 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000309552894 385684835 /nfs/dbraw/zinc/68/48/35/385684835.db2.gz GOEORNSGMKJRQY-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000309555668 385692919 /nfs/dbraw/zinc/69/29/19/385692919.db2.gz HOCJMKSFSKCOBD-UWVGGRQHSA-N 1 0 231.324 2.402 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000264885383 385695647 /nfs/dbraw/zinc/69/56/47/385695647.db2.gz VMDHSXQSDMHREB-RISCZKNCSA-N 1 0 232.327 2.055 20 30 BEEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CCCCC#N)C1(C)C ZINC000309578750 385710788 /nfs/dbraw/zinc/71/07/88/385710788.db2.gz PTEBAAMWRVLFDY-QJPTWQEYSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CO)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309595113 385718559 /nfs/dbraw/zinc/71/85/59/385718559.db2.gz VYYPMVBLWJXARM-YNEHKIRRSA-N 1 0 224.348 2.067 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000397569040 385670751 /nfs/dbraw/zinc/67/07/51/385670751.db2.gz BFJYYEFEYIOZOQ-LBPRGKRZSA-N 1 0 217.316 2.306 20 30 BEEDRO CC(C)(CCO)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185845352 385737454 /nfs/dbraw/zinc/73/74/54/385737454.db2.gz HLJDJVPFODSQMQ-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000309602691 385737868 /nfs/dbraw/zinc/73/78/68/385737868.db2.gz XCAUBQCCTFKXRO-IACUBPJLSA-N 1 0 223.360 2.339 20 30 BEEDRO CCCCOCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185802151 385740348 /nfs/dbraw/zinc/74/03/48/385740348.db2.gz RIDGABJEVCZBJT-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCOc1cccc(CN[C@H]2CCC[NH2+]C2)c1 ZINC000414862288 385749708 /nfs/dbraw/zinc/74/97/08/385749708.db2.gz HJGVITAOWSFAMW-AWEZNQCLSA-N 1 0 246.354 2.093 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000320224007 385750712 /nfs/dbraw/zinc/75/07/12/385750712.db2.gz AKFAOJRODKOAOI-GXFFZTMASA-N 1 0 238.306 2.198 20 30 BEEDRO C[N@H+](CCCC#N)CCc1cccc([N+](=O)[O-])c1 ZINC000282368441 385756096 /nfs/dbraw/zinc/75/60/96/385756096.db2.gz DYIWZTTVBTVFFR-UHFFFAOYSA-N 1 0 247.298 2.373 20 30 BEEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCCC#N ZINC000186381848 385757443 /nfs/dbraw/zinc/75/74/43/385757443.db2.gz GPDAYCQYXJHNQM-QWHCGFSZSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@]12CCOC2 ZINC000336655474 385758085 /nfs/dbraw/zinc/75/80/85/385758085.db2.gz HKDOBNQIPVYFRG-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)Nc1cccnc1C#N ZINC000290728753 385761594 /nfs/dbraw/zinc/76/15/94/385761594.db2.gz AVKPVGCENDPJDC-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000336655850 385767559 /nfs/dbraw/zinc/76/75/59/385767559.db2.gz ABUJBQGUAFEGEU-TUAOUCFPSA-N 1 0 209.333 2.356 20 30 BEEDRO Cc1nsc(N[C@H](C)CC[NH+](C)C)c1C#N ZINC000086254905 385769934 /nfs/dbraw/zinc/76/99/34/385769934.db2.gz LBKPULCKXLWVJW-MRVPVSSYSA-N 1 0 238.360 2.075 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccnc1Cl ZINC000186709390 385783575 /nfs/dbraw/zinc/78/35/75/385783575.db2.gz RQNPDBJPMJCFAB-UWVGGRQHSA-N 1 0 240.734 2.323 20 30 BEEDRO Cc1nccn1CCC[NH2+]C[C@H](C)CCC#N ZINC000602517604 385798864 /nfs/dbraw/zinc/79/88/64/385798864.db2.gz HIEWVYMQQHQMNZ-GFCCVEGCSA-N 1 0 234.347 2.111 20 30 BEEDRO Cc1nccn1CCC[NH2+]C[C@@H](C)CCC#N ZINC000602517605 385799830 /nfs/dbraw/zinc/79/98/30/385799830.db2.gz HIEWVYMQQHQMNZ-LBPRGKRZSA-N 1 0 234.347 2.111 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC12CCOCC2 ZINC000602635022 385811204 /nfs/dbraw/zinc/81/12/04/385811204.db2.gz VVPLJRVIYCFFOJ-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)CO1 ZINC000572363277 385813374 /nfs/dbraw/zinc/81/33/74/385813374.db2.gz RUIGTKASTMAPKG-YVLXSGLVSA-N 1 0 242.322 2.313 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000602687060 385813398 /nfs/dbraw/zinc/81/33/98/385813398.db2.gz HQSVCLIEHQIKHR-VWYCJHECSA-N 1 0 210.346 2.116 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1 ZINC000320250027 385819833 /nfs/dbraw/zinc/81/98/33/385819833.db2.gz IBBJRUPMXAKJEH-ZDUSSCGKSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000414568246 385825718 /nfs/dbraw/zinc/82/57/18/385825718.db2.gz YLIPAUIVFNOYKT-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]Cc1cc(C#N)cs1 ZINC000398376485 385829535 /nfs/dbraw/zinc/82/95/35/385829535.db2.gz KYUSHCVIDRZMEO-JTQLQIEISA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000159236098 385837876 /nfs/dbraw/zinc/83/78/76/385837876.db2.gz FPQLACDCCSAXKB-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO CN(C)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000618577457 385871823 /nfs/dbraw/zinc/87/18/23/385871823.db2.gz JRCZKQQYLCARAP-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000451608924 385977094 /nfs/dbraw/zinc/97/70/94/385977094.db2.gz CKBHFEVKUBKIKM-KGLIPLIRSA-N 1 0 246.285 2.130 20 30 BEEDRO C=CCOc1cccc(CNC[C@H]([NH3+])CC)c1 ZINC000414972236 385980325 /nfs/dbraw/zinc/98/03/25/385980325.db2.gz ANJXMTRZUOZNKJ-CYBMUJFWSA-N 1 0 234.343 2.078 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414087121 385955552 /nfs/dbraw/zinc/95/55/52/385955552.db2.gz IBNJBFIIHVPVEW-LBPRGKRZSA-N 1 0 249.358 2.073 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253094477 533152175 /nfs/dbraw/zinc/15/21/75/533152175.db2.gz NQKCDVMMBHUJCO-BFHYXJOUSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(=O)N(C)CC ZINC000189405647 386007655 /nfs/dbraw/zinc/00/76/55/386007655.db2.gz WMPNLRFETJASSQ-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233880748 386009464 /nfs/dbraw/zinc/00/94/64/386009464.db2.gz RLJKQVFBRKJSQO-ZDUSSCGKSA-N 1 0 248.326 2.081 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)c2nccn21 ZINC000414168692 386016979 /nfs/dbraw/zinc/01/69/79/386016979.db2.gz QXUVTICWHMIQKJ-GHMZBOCLSA-N 1 0 232.331 2.418 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)c2nccn21 ZINC000414168697 386017272 /nfs/dbraw/zinc/01/72/72/386017272.db2.gz QXUVTICWHMIQKJ-QWRGUYRKSA-N 1 0 232.331 2.418 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCOC1 ZINC000414175052 386020959 /nfs/dbraw/zinc/02/09/59/386020959.db2.gz YWILYEHVQFDQML-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc2n(n1)CCC2 ZINC000414175735 386021033 /nfs/dbraw/zinc/02/10/33/386021033.db2.gz ZNEPPBTWMNQSQI-NSHDSACASA-N 1 0 246.358 2.420 20 30 BEEDRO Cn1ccnc1[C@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000414175946 386021181 /nfs/dbraw/zinc/02/11/81/386021181.db2.gz ZWKADUOGUJUOQF-GFCCVEGCSA-N 1 0 246.358 2.401 20 30 BEEDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC(C)(C)CC#N ZINC000414165396 386047571 /nfs/dbraw/zinc/04/75/71/386047571.db2.gz LURRSIYYDNRGRE-LBPRGKRZSA-N 1 0 246.358 2.327 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1cnn(C)c1 ZINC000414168126 386050687 /nfs/dbraw/zinc/05/06/87/386050687.db2.gz QHPPPMNVRAHBKK-LBPRGKRZSA-N 1 0 234.347 2.401 20 30 BEEDRO CC#CCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000414626546 385995843 /nfs/dbraw/zinc/99/58/43/385995843.db2.gz YKDXJNXQHBBORA-UHFFFAOYSA-N 1 0 233.315 2.144 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)c1cccc(F)c1C#N ZINC000274431910 386102483 /nfs/dbraw/zinc/10/24/83/386102483.db2.gz FCZAVBJCAVIVMZ-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H](O)C(C)C ZINC000414298471 386105636 /nfs/dbraw/zinc/10/56/36/386105636.db2.gz QJMMTTMLSDYATI-RFQIPJPRSA-N 1 0 238.375 2.454 20 30 BEEDRO COC1([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000414312842 386116286 /nfs/dbraw/zinc/11/62/86/386116286.db2.gz XBYOJMQKQKFSRA-TUAOUCFPSA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000334443661 386066128 /nfs/dbraw/zinc/06/61/28/386066128.db2.gz FHSLPYQTFLBREC-STQMWFEESA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000345272664 386068508 /nfs/dbraw/zinc/06/85/08/386068508.db2.gz SOHRMZYEEPWIHM-TZMCWYRMSA-N 1 0 249.354 2.014 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H](C)O1 ZINC000414263607 386085592 /nfs/dbraw/zinc/08/55/92/386085592.db2.gz PJTMGQMDSNMMKO-MBJXGIAVSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1occc1C ZINC000320282628 386096691 /nfs/dbraw/zinc/09/66/91/386096691.db2.gz OGMHEVOWTWYONX-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C)C[C@H]1C(C)C ZINC000425476177 386148250 /nfs/dbraw/zinc/14/82/50/386148250.db2.gz KRRWNRPDONSTMT-ZDUSSCGKSA-N 1 0 210.365 2.225 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414350231 386152848 /nfs/dbraw/zinc/15/28/48/386152848.db2.gz UEXAHRDZXSSPHD-NWDGAFQWSA-N 1 0 226.364 2.234 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1cc(C#N)cs1 ZINC000086500338 386159249 /nfs/dbraw/zinc/15/92/49/386159249.db2.gz QOFUNYOAXQTGIC-SNVBAGLBSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CCCCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415917017 386162065 /nfs/dbraw/zinc/16/20/65/386162065.db2.gz CJCTYVHREPXGJL-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415915130 386162346 /nfs/dbraw/zinc/16/23/46/386162346.db2.gz YHMLXPFZUBGDDT-LLVKDONJSA-N 1 0 247.342 2.492 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000164634741 386169516 /nfs/dbraw/zinc/16/95/16/386169516.db2.gz RMXWXFUYJAHDQA-MISXGVKJSA-N 1 0 217.378 2.088 20 30 BEEDRO C=CC[C@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415967247 386171323 /nfs/dbraw/zinc/17/13/23/386171323.db2.gz AYJTZIBANGALEV-NSHDSACASA-N 1 0 247.342 2.492 20 30 BEEDRO C=CCCN(C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415953235 386174501 /nfs/dbraw/zinc/17/45/01/386174501.db2.gz FENSRFNGKSBWHN-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=CCCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415953811 386174662 /nfs/dbraw/zinc/17/46/62/386174662.db2.gz HKFJXXHAWJWBOG-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000164648738 386175132 /nfs/dbraw/zinc/17/51/32/386175132.db2.gz MPCICZKDMHPRQO-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cccnc1 ZINC000320287726 386135486 /nfs/dbraw/zinc/13/54/86/386135486.db2.gz PGCXHVTVGPKMPI-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCOc1cccc(CNCC[NH2+]CCC)c1 ZINC000414890793 386138539 /nfs/dbraw/zinc/13/85/39/386138539.db2.gz VMYZMTKUOCUSIQ-UHFFFAOYSA-N 1 0 248.370 2.341 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(F)ccc1F ZINC000320291694 386141770 /nfs/dbraw/zinc/14/17/70/386141770.db2.gz QPVTVCOXBWXOCC-LBPRGKRZSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000339009281 386206594 /nfs/dbraw/zinc/20/65/94/386206594.db2.gz FSXVZXBGYGAFLR-CQSZACIVSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000452060691 386208550 /nfs/dbraw/zinc/20/85/50/386208550.db2.gz FLOPSZGVWWURKZ-RWMBFGLXSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)C(F)(F)F ZINC000309398205 386210992 /nfs/dbraw/zinc/21/09/92/386210992.db2.gz VUABSLRJHPWVOS-SSDOTTSWSA-N 1 0 232.205 2.439 20 30 BEEDRO CCC(CC)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000225815522 386219685 /nfs/dbraw/zinc/21/96/85/386219685.db2.gz CJMWGGTZZWHXPH-HNNXBMFYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCN(CCC[NH3+])Cc1ccccc1F ZINC000414696249 386197269 /nfs/dbraw/zinc/19/72/69/386197269.db2.gz VRAMMCRSAZAEDN-UHFFFAOYSA-N 1 0 222.307 2.163 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000320308063 386292051 /nfs/dbraw/zinc/29/20/51/386292051.db2.gz UTHJWWMUYUGSLX-AGIUHOORSA-N 1 0 241.375 2.107 20 30 BEEDRO CC#CCN(CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425508956 386297950 /nfs/dbraw/zinc/29/79/50/386297950.db2.gz HQGFLWQJABXELN-CQSZACIVSA-N 1 0 237.343 2.063 20 30 BEEDRO CCC[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000034674561 386303417 /nfs/dbraw/zinc/30/34/17/386303417.db2.gz FPNVWKYQULCQHR-OAHLLOKOSA-N 1 0 244.338 2.466 20 30 BEEDRO C=CC[N@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000425518116 386309133 /nfs/dbraw/zinc/30/91/33/386309133.db2.gz YANABWKTYBGNFZ-CYBMUJFWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C)CC1 ZINC000320316366 386309477 /nfs/dbraw/zinc/30/94/77/386309477.db2.gz WJIODDPGRYFTGS-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000320325651 386325277 /nfs/dbraw/zinc/32/52/77/386325277.db2.gz FMWSUCAGVGUNMG-LLVKDONJSA-N 1 0 236.340 2.036 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C)nn1 ZINC000414392813 386271991 /nfs/dbraw/zinc/27/19/91/386271991.db2.gz GQGUNLQEJWHLDC-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO CSCC[C@H](C)[N@H+](C)CC1(C#N)CC1 ZINC000343299335 386353728 /nfs/dbraw/zinc/35/37/28/386353728.db2.gz GNSMSMPXEYGJKN-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000164893914 386357477 /nfs/dbraw/zinc/35/74/77/386357477.db2.gz ATIMWADBGSAVNN-KBPBESRZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccc(O)c1 ZINC000280749657 386372334 /nfs/dbraw/zinc/37/23/34/386372334.db2.gz XSZFBFPZKGQGPM-UKRRQHHQSA-N 1 0 247.338 2.463 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cnccn1 ZINC000280722784 386372962 /nfs/dbraw/zinc/37/29/62/386372962.db2.gz VBCPBCIOFIQPML-DYEKYZERSA-N 1 0 247.342 2.108 20 30 BEEDRO CCOC[C@H]([NH2+]CCCSCC#N)C(C)C ZINC000336775017 386380450 /nfs/dbraw/zinc/38/04/50/386380450.db2.gz XVQQRCAXGVPZHM-LBPRGKRZSA-N 1 0 244.404 2.284 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC[C@@H]1CCCCO1 ZINC000347394580 386381621 /nfs/dbraw/zinc/38/16/21/386381621.db2.gz PRWUNSCNZSAEIG-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC[C@@H]1CCCCO1 ZINC000347394578 386382162 /nfs/dbraw/zinc/38/21/62/386382162.db2.gz PRWUNSCNZSAEIG-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000425525451 386329054 /nfs/dbraw/zinc/32/90/54/386329054.db2.gz UILBCSVARQWSLJ-JHJVBQTASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000320207291 386408335 /nfs/dbraw/zinc/40/83/35/386408335.db2.gz DSJDYZKMFCSUHQ-CYBMUJFWSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648038824 386452470 /nfs/dbraw/zinc/45/24/70/386452470.db2.gz MBFPUWKZDNDJDC-GFCCVEGCSA-N 1 0 248.374 2.117 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(C#N)ccn1 ZINC000290737166 386470160 /nfs/dbraw/zinc/47/01/60/386470160.db2.gz BNBHPUIYHHFVKD-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000453360682 386477886 /nfs/dbraw/zinc/47/78/86/386477886.db2.gz PKFFZJATOFUAIA-DGCLKSJQSA-N 1 0 249.358 2.071 20 30 BEEDRO C[C@@H]1CCCCN1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442712242 386528920 /nfs/dbraw/zinc/52/89/20/386528920.db2.gz UKKFIVQJMUDOSM-MCIONIFRSA-N 1 0 235.375 2.143 20 30 BEEDRO CCn1cc(C[N@H+](C)[C@H]2CC[C@@H](C#N)C2)cn1 ZINC000519549923 386486149 /nfs/dbraw/zinc/48/61/49/386486149.db2.gz HVPAKRKDANBGCJ-YPMHNXCESA-N 1 0 232.331 2.027 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3O2)C1 ZINC000442707123 386507354 /nfs/dbraw/zinc/50/73/54/386507354.db2.gz FXSJXLDDYSTJEC-XBFCOCLRSA-N 1 0 242.322 2.272 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000122736811 386509255 /nfs/dbraw/zinc/50/92/55/386509255.db2.gz YRQZDKOUWIQJQM-UHFFFAOYSA-N 1 0 236.271 2.269 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000187680900 386574651 /nfs/dbraw/zinc/57/46/51/386574651.db2.gz MHBZDOHGXCKDKL-SRVKXCTJSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCOc1ccccc1CNC[C@@H]([NH3+])C(C)C ZINC000414787368 386535733 /nfs/dbraw/zinc/53/57/33/386535733.db2.gz CGCFMOLGRBHLSN-CQSZACIVSA-N 1 0 248.370 2.324 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335407831 386567815 /nfs/dbraw/zinc/56/78/15/386567815.db2.gz JSULQCYZJGWXGM-GFCCVEGCSA-N 1 0 227.373 2.161 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cncn1CC ZINC000417744168 386630182 /nfs/dbraw/zinc/63/01/82/386630182.db2.gz MVCXCNYXFZQITA-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C#CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292138174 533179900 /nfs/dbraw/zinc/17/99/00/533179900.db2.gz MBZKRMPTRNVFBB-UHFFFAOYSA-N 1 0 218.256 2.053 20 30 BEEDRO C=CCOc1cccc(CNCC(C)(C)[NH3+])c1 ZINC000414810900 386633146 /nfs/dbraw/zinc/63/31/46/386633146.db2.gz YEIGHENFVSLBRM-UHFFFAOYSA-N 1 0 234.343 2.078 20 30 BEEDRO N#CCC[NH2+]CCc1ccccc1OC(F)F ZINC000520220298 386610166 /nfs/dbraw/zinc/61/01/66/386610166.db2.gz XQKPLFANNYGECG-UHFFFAOYSA-N 1 0 240.253 2.334 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCCOC(C)(C)C1 ZINC000306677114 386619054 /nfs/dbraw/zinc/61/90/54/386619054.db2.gz YFBFEQTZLZMBHQ-UHFFFAOYSA-N 1 0 203.713 2.240 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C ZINC000336759478 386665291 /nfs/dbraw/zinc/66/52/91/386665291.db2.gz JBRAKIWFZDREBC-GRYCIOLGSA-N 1 0 225.332 2.130 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000645012112 386670485 /nfs/dbraw/zinc/67/04/85/386670485.db2.gz RNJDBPRSMJYGPB-GOEBONIOSA-N 1 0 245.366 2.324 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)c1 ZINC000190344980 386681608 /nfs/dbraw/zinc/68/16/08/386681608.db2.gz QUIUZOGEFSPADT-UPJWGTAASA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccccc1 ZINC000050198048 386683800 /nfs/dbraw/zinc/68/38/00/386683800.db2.gz LEOHCAXPWIOHLS-OCCSQVGLSA-N 1 0 246.354 2.418 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000185810048 386687250 /nfs/dbraw/zinc/68/72/50/386687250.db2.gz LNEIHHZDKDJZIF-QWHCGFSZSA-N 1 0 236.359 2.354 20 30 BEEDRO C#CCOc1ccc(C[N@@H+](C)CCCOC)cc1 ZINC000092537256 533185895 /nfs/dbraw/zinc/18/58/95/533185895.db2.gz MCXAYGGDXQJVJY-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000520575169 386700960 /nfs/dbraw/zinc/70/09/60/386700960.db2.gz DKRPLOWVVNVXTC-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000186324150 386703494 /nfs/dbraw/zinc/70/34/94/386703494.db2.gz AEYJGSATOYFPOU-OAHLLOKOSA-N 1 0 244.338 2.381 20 30 BEEDRO CC[C@H](COC)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192884043 386736636 /nfs/dbraw/zinc/73/66/36/386736636.db2.gz HALUPLAVQAVOQM-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093838906 386718356 /nfs/dbraw/zinc/71/83/56/386718356.db2.gz ZVEWUKXTTYGKMB-LLVKDONJSA-N 1 0 234.299 2.010 20 30 BEEDRO N#CCCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000330464635 386722370 /nfs/dbraw/zinc/72/23/70/386722370.db2.gz VFPHSDPUEFMXAE-LLVKDONJSA-N 1 0 223.320 2.460 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc2c1OCCO2 ZINC000167453382 386773857 /nfs/dbraw/zinc/77/38/57/386773857.db2.gz DSWLRRZGRQOAPL-UHFFFAOYSA-N 1 0 219.284 2.124 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833257 386781942 /nfs/dbraw/zinc/78/19/42/386781942.db2.gz JYSTUQHQGHHOAF-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO N#Cc1cccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000442860680 386782794 /nfs/dbraw/zinc/78/27/94/386782794.db2.gz CJYJMTQAZDEOAP-GJZGRUSLSA-N 1 0 239.322 2.383 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000411484767 386822221 /nfs/dbraw/zinc/82/22/21/386822221.db2.gz HRTVKSHKKRUYCZ-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000395300447 386807534 /nfs/dbraw/zinc/80/75/34/386807534.db2.gz UHEMBYXSGDRDNG-UHFFFAOYSA-N 1 0 222.336 2.089 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@H](C)CCO)ccc1C#N ZINC000449357831 386812204 /nfs/dbraw/zinc/81/22/04/386812204.db2.gz MCEUHWAORGFTBB-LBPRGKRZSA-N 1 0 246.354 2.365 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000330679872 386827391 /nfs/dbraw/zinc/82/73/91/386827391.db2.gz YDWKGHULQSOZBB-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425340304 386842127 /nfs/dbraw/zinc/84/21/27/386842127.db2.gz DUWCDCVWRWJUNE-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CC[C@H]1SC ZINC000425340311 386842926 /nfs/dbraw/zinc/84/29/26/386842926.db2.gz DUWCDCVWRWJUNE-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO CC#CCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000425345725 386859087 /nfs/dbraw/zinc/85/90/87/386859087.db2.gz JWAGAEBCHYYCQT-COVPZLACSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000336739303 386880028 /nfs/dbraw/zinc/88/00/28/386880028.db2.gz SKGPPVKPNGGTFY-AVGNSLFASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC1(C(=O)N2CC[NH+]3CCC2CC3)CCC1 ZINC000335758157 386886984 /nfs/dbraw/zinc/88/69/84/386886984.db2.gz CKKAGZTXGNEPMM-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO CCN1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000334866434 386924204 /nfs/dbraw/zinc/92/42/04/386924204.db2.gz DYYGPJHBEDDHMM-ROKHWSDSSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CN(C)C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353663949 386927647 /nfs/dbraw/zinc/92/76/47/386927647.db2.gz NRYSYNRZCCZUKF-ABAIWWIYSA-N 1 0 243.354 2.085 20 30 BEEDRO CC#CCCCC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000456423809 386929901 /nfs/dbraw/zinc/92/99/01/386929901.db2.gz PEXKUWHUBQSYCR-NWDGAFQWSA-N 1 0 245.326 2.199 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425358648 386974783 /nfs/dbraw/zinc/97/47/83/386974783.db2.gz UEPMEFUFSIXRBZ-LMLFDSFASA-N 1 0 210.346 2.020 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000190920626 387037527 /nfs/dbraw/zinc/03/75/27/387037527.db2.gz CPYWUCHMUIMYRZ-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000190918835 387038354 /nfs/dbraw/zinc/03/83/54/387038354.db2.gz SWSGMQNSKJLDLU-GHMZBOCLSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000348293473 387041862 /nfs/dbraw/zinc/04/18/62/387041862.db2.gz PGZSWLPCEVFNDI-IUODEOHRSA-N 1 0 246.354 2.473 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000050373702 387043329 /nfs/dbraw/zinc/04/33/29/387043329.db2.gz HUTAUTMNMQLHAP-ZIAGYGMSSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000050373706 387043361 /nfs/dbraw/zinc/04/33/61/387043361.db2.gz FHHGOMHEOLBSOC-ZIAGYGMSSA-N 1 0 248.301 2.354 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOCC2CC2)cc1F ZINC000404059933 387044031 /nfs/dbraw/zinc/04/40/31/387044031.db2.gz HTZMWWCLKRCSHU-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO N#CC1(C[N@H+]2CC[C@@H](O)CC23CCC3)CCC1 ZINC000334965309 387046854 /nfs/dbraw/zinc/04/68/54/387046854.db2.gz AGMXEBWYXVFCNE-GFCCVEGCSA-N 1 0 234.343 2.060 20 30 BEEDRO C=CCCCCNC(=O)N[C@H](C[NH3+])CCCC ZINC000418037784 387067113 /nfs/dbraw/zinc/06/71/13/387067113.db2.gz RHZJPCMCHBGBGF-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO Cc1cc(C)c(C#N)c(NC2CC[NH+](C)CC2)n1 ZINC000035121578 387055336 /nfs/dbraw/zinc/05/53/36/387055336.db2.gz IFKRGQYAJPFJLU-UHFFFAOYSA-N 1 0 244.342 2.076 20 30 BEEDRO COCC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185806675 387058144 /nfs/dbraw/zinc/05/81/44/387058144.db2.gz CJVFELVSJRPWOP-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000228066869 387063320 /nfs/dbraw/zinc/06/33/20/387063320.db2.gz JWOMPZVMNCMQDH-SRVKXCTJSA-N 1 0 232.327 2.368 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000087689691 387010896 /nfs/dbraw/zinc/01/08/96/387010896.db2.gz LEDWHXOUGUNVOY-JLLWLGSASA-N 1 0 234.324 2.029 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]1SC ZINC000425366847 387024106 /nfs/dbraw/zinc/02/41/06/387024106.db2.gz GPMAGZTXQSXSKE-WISYIIOYSA-N 1 0 227.373 2.204 20 30 BEEDRO CC[NH+](CC)CCCNc1cccnc1C#N ZINC000129838307 387026664 /nfs/dbraw/zinc/02/66/64/387026664.db2.gz GYHZSFGYELCULY-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C=C(C)C[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000193094429 387068726 /nfs/dbraw/zinc/06/87/26/387068726.db2.gz BOASQWLDRZDRQZ-GFCCVEGCSA-N 1 0 213.321 2.038 20 30 BEEDRO C=CCCCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418039594 387072975 /nfs/dbraw/zinc/07/29/75/387072975.db2.gz UDMNWYQKYBYMHA-GFCCVEGCSA-N 1 0 241.379 2.015 20 30 BEEDRO C[C@@H]([NH2+]CCN1CCCC1)c1ccc(C#N)cc1 ZINC000020126820 387075784 /nfs/dbraw/zinc/07/57/84/387075784.db2.gz LBEUNTSVXNECHU-CYBMUJFWSA-N 1 0 243.354 2.305 20 30 BEEDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CO1 ZINC000418078114 387089568 /nfs/dbraw/zinc/08/95/68/387089568.db2.gz NNFNSPIXOFRXOF-SDDRHHMPSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)[N@H+](Cc1ccc(C#N)cc1)C1COC1 ZINC000296140439 387124896 /nfs/dbraw/zinc/12/48/96/387124896.db2.gz VDNXCPYUKYPWFN-UHFFFAOYSA-N 1 0 230.311 2.167 20 30 BEEDRO C=C(C)C[N@H+](C)CCO[C@H]1CCCCO1 ZINC000193094440 387068190 /nfs/dbraw/zinc/06/81/90/387068190.db2.gz BOASQWLDRZDRQZ-LBPRGKRZSA-N 1 0 213.321 2.038 20 30 BEEDRO COc1ccc(CC[NH+]2CCC(C#N)CC2)cc1 ZINC000057906214 387149156 /nfs/dbraw/zinc/14/91/56/387149156.db2.gz KCDJSCITBCWDJI-UHFFFAOYSA-N 1 0 244.338 2.473 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCCO1 ZINC000229672418 387192630 /nfs/dbraw/zinc/19/26/30/387192630.db2.gz HNJYKPBRQFPDQY-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCCC[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000571732517 387157949 /nfs/dbraw/zinc/15/79/49/387157949.db2.gz BJRDYDMYTNLCSH-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]CC1(C#N)CCC1 ZINC000418145687 387167034 /nfs/dbraw/zinc/16/70/34/387167034.db2.gz YQSPACVQSSEAIX-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CCC1 ZINC000418143973 387167723 /nfs/dbraw/zinc/16/77/23/387167723.db2.gz RQEULOXFONBNIV-NEPJUHHUSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)[C@H]1CCCC[C@@H]1C ZINC000120112086 387174188 /nfs/dbraw/zinc/17/41/88/387174188.db2.gz NZLLJCVCVSIZCV-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)OC1CC([NH2+]CC2(C#N)CCC2)C1 ZINC000418137729 387175213 /nfs/dbraw/zinc/17/52/13/387175213.db2.gz FDSAWIJPCXTANT-UHFFFAOYSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)N[C@H](C)CCCC[NH3+] ZINC000418153379 387175448 /nfs/dbraw/zinc/17/54/48/387175448.db2.gz WFFAFILNMOOTFJ-VXGBXAGGSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCC[C@@H](CC)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187826312 387216112 /nfs/dbraw/zinc/21/61/12/387216112.db2.gz KCEGBJWGDZWBLJ-ZOWXZIJZSA-N 1 0 231.405 2.430 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000424652919 387234860 /nfs/dbraw/zinc/23/48/60/387234860.db2.gz FXYVKMOKOVYNDG-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352485046 387249180 /nfs/dbraw/zinc/24/91/80/387249180.db2.gz WVCUSSGIHHMHMM-UHFFFAOYSA-N 1 0 223.295 2.254 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000229750897 387195059 /nfs/dbraw/zinc/19/50/59/387195059.db2.gz YYPMFHSFHMHELS-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000193325016 387200079 /nfs/dbraw/zinc/20/00/79/387200079.db2.gz GXERJBMLXGWPAZ-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000424727050 387259321 /nfs/dbraw/zinc/25/93/21/387259321.db2.gz VITZTBDZPILFAP-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000230265308 387265365 /nfs/dbraw/zinc/26/53/65/387265365.db2.gz PLTPBNZJRLTDPZ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCN(C)Cc1ccc(OC)cc1F ZINC000572248925 387278628 /nfs/dbraw/zinc/27/86/28/387278628.db2.gz XNUBUDSTISAYFF-UHFFFAOYSA-N 1 0 209.264 2.452 20 30 BEEDRO C=C[C@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000643499285 387279990 /nfs/dbraw/zinc/27/99/90/387279990.db2.gz WBDMLZQJTKKTBE-VHSXEESVSA-N 1 0 218.300 2.011 20 30 BEEDRO C=C(C)COCC[NH2+]C(C1CC1)C1CC1 ZINC000161886152 387281172 /nfs/dbraw/zinc/28/11/72/387281172.db2.gz SMJLUPOJMQNJCE-UHFFFAOYSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360524232 387304021 /nfs/dbraw/zinc/30/40/21/387304021.db2.gz WMUBOVWQVNLBIA-LBPRGKRZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCCN1 ZINC000643502023 387356835 /nfs/dbraw/zinc/35/68/35/387356835.db2.gz WHTYJUCUCMMXNM-AVGNSLFASA-N 1 0 210.365 2.319 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCCN1)C1CC1 ZINC000643502195 387357405 /nfs/dbraw/zinc/35/74/05/387357405.db2.gz ZNZWNVAPTZSMCP-UONOGXRCSA-N 1 0 222.376 2.463 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C1COCCOC1 ZINC000648592915 387363853 /nfs/dbraw/zinc/36/38/53/387363853.db2.gz DOIYNDSVGMAZNF-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCN(CC[NH+](C)C)Cc1ccccn1 ZINC000515308513 387364227 /nfs/dbraw/zinc/36/42/27/387364227.db2.gz NZVVFXWIJTUKMK-UHFFFAOYSA-N 1 0 233.359 2.021 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)N[C@@H]1C[NH2+]CCC1(F)F ZINC000423479129 387327877 /nfs/dbraw/zinc/32/78/77/387327877.db2.gz NYIKLWDJFFAXQM-HBNTYKKESA-N 1 0 232.318 2.174 20 30 BEEDRO CCc1nn(C)cc1CN(C[C@H](C)C#N)C1CC1 ZINC000611416566 387329023 /nfs/dbraw/zinc/32/90/23/387329023.db2.gz MVFLBZKDEQZBEI-LLVKDONJSA-N 1 0 246.358 2.107 20 30 BEEDRO Cn1cc(C[N@H+](C)C2CCCC2)cc1C#N ZINC000191197892 387353155 /nfs/dbraw/zinc/35/31/55/387353155.db2.gz UDEUYZPPHNDWRO-UHFFFAOYSA-N 1 0 217.316 2.271 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000271648231 387446481 /nfs/dbraw/zinc/44/64/81/387446481.db2.gz UGLZXQXBAJKMED-UHFFFAOYSA-N 1 0 219.332 2.474 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000273427937 387456452 /nfs/dbraw/zinc/45/64/52/387456452.db2.gz KOXOMRVHTVBBGB-GXFFZTMASA-N 1 0 248.301 2.285 20 30 BEEDRO C[C@H]1SCC[N@H+](Cc2cc(C#N)n(C)c2)[C@@H]1C ZINC000191377536 387387855 /nfs/dbraw/zinc/38/78/55/387387855.db2.gz ISAHJASRPOOUCC-GHMZBOCLSA-N 1 0 249.383 2.223 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000424768721 387412811 /nfs/dbraw/zinc/41/28/11/387412811.db2.gz XSKAHWTYTCOESG-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000292418550 387495517 /nfs/dbraw/zinc/49/55/17/387495517.db2.gz MOJHHLIWAQYNFE-KBPBESRZSA-N 1 0 230.311 2.076 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000292861456 387504723 /nfs/dbraw/zinc/50/47/23/387504723.db2.gz ATEZDUCPSWMICB-CQSZACIVSA-N 1 0 230.311 2.073 20 30 BEEDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1C#N ZINC000292953425 387508962 /nfs/dbraw/zinc/50/89/62/387508962.db2.gz IWWVEZKENCDEKN-GHMZBOCLSA-N 1 0 230.311 2.407 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000186202585 387521605 /nfs/dbraw/zinc/52/16/05/387521605.db2.gz IVOWPPMUZOANCQ-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO CCOCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192697896 387525778 /nfs/dbraw/zinc/52/57/78/387525778.db2.gz RUJFCHUNYZWEOK-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CC[N@@H+](C[C@H](C)O)CC1CCCCC1 ZINC000192719044 387526714 /nfs/dbraw/zinc/52/67/14/387526714.db2.gz ARIPCQFTSNNZDG-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO Cc1cccc(NC(=O)[C@H]([NH3+])CCCC#N)c1C ZINC000424074300 387478560 /nfs/dbraw/zinc/47/85/60/387478560.db2.gz GXRXSZIIAUTWFF-GFCCVEGCSA-N 1 0 245.326 2.263 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCC[C@H]1O ZINC000270220042 387590299 /nfs/dbraw/zinc/59/02/99/387590299.db2.gz YZVLNFAABWWRRS-LSDHHAIUSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000429936960 387599860 /nfs/dbraw/zinc/59/98/60/387599860.db2.gz PUBMNCQSTGFWHL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCCC#N ZINC000528766152 387621651 /nfs/dbraw/zinc/62/16/51/387621651.db2.gz JKPSCQNBJFJKPM-VIFPVBQESA-N 1 0 202.248 2.410 20 30 BEEDRO COCC(C)(C)C[NH+]1CCC(C)(C#N)CC1 ZINC000426353426 387557971 /nfs/dbraw/zinc/55/79/71/387557971.db2.gz PNMRKTUCBXCOPO-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C#Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000279071932 387559023 /nfs/dbraw/zinc/55/90/23/387559023.db2.gz RSOUFRHYKGQNIY-STQMWFEESA-N 1 0 229.323 2.277 20 30 BEEDRO C#CCCN1CC[NH+](CCCCCC=C)CC1 ZINC000278932584 387560176 /nfs/dbraw/zinc/56/01/76/387560176.db2.gz WMFCULZWQHFDNP-UHFFFAOYSA-N 1 0 234.387 2.374 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)o1 ZINC000268976814 387642549 /nfs/dbraw/zinc/64/25/49/387642549.db2.gz PFRCMTFTKNQHBU-LLVKDONJSA-N 1 0 246.310 2.343 20 30 BEEDRO Cn1ncc2c1CCC[C@H]2[NH2+]CC1(CC#N)CC1 ZINC000430745267 387647247 /nfs/dbraw/zinc/64/72/47/387647247.db2.gz YJZCEBDFXACLJT-GFCCVEGCSA-N 1 0 244.342 2.081 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1nccn1C ZINC000430746777 387647334 /nfs/dbraw/zinc/64/73/34/387647334.db2.gz JGYHEWHXRBNOEA-LLVKDONJSA-N 1 0 232.331 2.155 20 30 BEEDRO OCCC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000452120245 387744968 /nfs/dbraw/zinc/74/49/68/387744968.db2.gz LXQCSHGAMYFZGV-MRXNPFEDSA-N 1 0 243.350 2.133 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000163523804 387707805 /nfs/dbraw/zinc/70/78/05/387707805.db2.gz QEWIQXNYFRUQBB-LBPRGKRZSA-N 1 0 237.347 2.146 20 30 BEEDRO C[C@]12C[N@H+](CCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452050752 387714096 /nfs/dbraw/zinc/71/40/96/387714096.db2.gz XIMUJMUJZYEISH-YVECIDJPSA-N 1 0 204.317 2.268 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000452087417 387732199 /nfs/dbraw/zinc/73/21/99/387732199.db2.gz YJQSCSJROJBOQI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@H](COC)CC1 ZINC000452109539 387739151 /nfs/dbraw/zinc/73/91/51/387739151.db2.gz WRWQZFOMAUHDPD-CQSZACIVSA-N 1 0 241.375 2.328 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000452112664 387741283 /nfs/dbraw/zinc/74/12/83/387741283.db2.gz GPTBCLDVYWZKNJ-CYBMUJFWSA-N 1 0 210.365 2.367 20 30 BEEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC#CCOC)C1 ZINC000611080257 387775897 /nfs/dbraw/zinc/77/58/97/387775897.db2.gz SEXXFDPSCVFBNR-CHWSQXEVSA-N 1 0 241.400 2.242 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccncc1 ZINC000424146803 387779374 /nfs/dbraw/zinc/77/93/74/387779374.db2.gz XKNYHFBRNILZIK-UBHSHLNASA-N 1 0 232.327 2.323 20 30 BEEDRO C[NH+](C)CCCN[C@@H]1CCc2ccc(C#N)cc21 ZINC000353408362 387789416 /nfs/dbraw/zinc/78/94/16/387789416.db2.gz CXUOSYGJNMAWHV-OAHLLOKOSA-N 1 0 243.354 2.087 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527923180 387791412 /nfs/dbraw/zinc/79/14/12/387791412.db2.gz CLWBZLIUWVMJBF-UPJWGTAASA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527922773 387791533 /nfs/dbraw/zinc/79/15/33/387791533.db2.gz BDRDBGHKNSPVCS-MCIONIFRSA-N 1 0 236.359 2.475 20 30 BEEDRO CN(C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000442651987 387812897 /nfs/dbraw/zinc/81/28/97/387812897.db2.gz QVRMPAPROKABPR-YNEHKIRRSA-N 1 0 247.342 2.164 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C1CCC(O)CC1 ZINC000527927950 387792803 /nfs/dbraw/zinc/79/28/03/387792803.db2.gz SAMYQFAREBQDOU-UHFFFAOYSA-N 1 0 211.349 2.482 20 30 BEEDRO CCN(C)CC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353431230 387794429 /nfs/dbraw/zinc/79/44/29/387794429.db2.gz YGWHPCTVJYNNDH-OAHLLOKOSA-N 1 0 243.354 2.087 20 30 BEEDRO C[C@@H](N[C@H](CCC#N)c1ccccc1)C1C[NH2+]C1 ZINC000422999864 387805756 /nfs/dbraw/zinc/80/57/56/387805756.db2.gz TWGLVWKSSWQFGE-IUODEOHRSA-N 1 0 243.354 2.229 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cnccc1N ZINC000422949772 387807185 /nfs/dbraw/zinc/80/71/85/387807185.db2.gz WIOZYBZBJALBBT-JTQLQIEISA-N 1 0 237.372 2.064 20 30 BEEDRO CN(C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442634964 387810417 /nfs/dbraw/zinc/81/04/17/387810417.db2.gz ICUGZIALGNDVSI-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOc2ccccc2F)C1 ZINC000442633149 387810812 /nfs/dbraw/zinc/81/08/12/387810812.db2.gz HZICIYCELAOWLP-RYUDHWBXSA-N 1 0 248.301 2.486 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527859234 387757508 /nfs/dbraw/zinc/75/75/08/387757508.db2.gz ODUQMDIFAPRHQS-JSGCOSHPSA-N 1 0 234.387 2.415 20 30 BEEDRO CC(C)C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N(C)C ZINC000442711250 387826856 /nfs/dbraw/zinc/82/68/56/387826856.db2.gz DTIZFPHBACOCTK-MGPQQGTHSA-N 1 0 237.391 2.245 20 30 BEEDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353677929 387828077 /nfs/dbraw/zinc/82/80/77/387828077.db2.gz MGXBVRPJFYJGRS-ZIBATOQPSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@H](O)CCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353656791 387830221 /nfs/dbraw/zinc/83/02/21/387830221.db2.gz IGVFMEGOTFCBNK-NHYWBVRUSA-N 1 0 244.338 2.296 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc(C2CC2)s1 ZINC000309599602 387832528 /nfs/dbraw/zinc/83/25/28/387832528.db2.gz WACUAQLDJNMCNB-JTQLQIEISA-N 1 0 238.356 2.047 20 30 BEEDRO CCc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)on1 ZINC000309615671 387834931 /nfs/dbraw/zinc/83/49/31/387834931.db2.gz CRUNAVDURYJOAU-KOLCDFICSA-N 1 0 219.288 2.019 20 30 BEEDRO C=CC[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000645845608 387836590 /nfs/dbraw/zinc/83/65/90/387836590.db2.gz XXCXHIYFJNGDJI-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442777942 387836635 /nfs/dbraw/zinc/83/66/35/387836635.db2.gz AONJQOCJEJLNQC-NWDGAFQWSA-N 1 0 233.315 2.116 20 30 BEEDRO CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442775669 387836664 /nfs/dbraw/zinc/83/66/64/387836664.db2.gz AXZLCLWFKJNRQO-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442770213 387836724 /nfs/dbraw/zinc/83/67/24/387836724.db2.gz RCYQPJFMJGUUOX-MJBXVCDLSA-N 1 0 235.375 2.000 20 30 BEEDRO CCC(CC)(CCO)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442778983 387837764 /nfs/dbraw/zinc/83/77/64/387837764.db2.gz HXIJKFZKFVWESE-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442789937 387842351 /nfs/dbraw/zinc/84/23/51/387842351.db2.gz FMKYDTXYTJVNRK-RDBSUJKOSA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1c[nH+]ccc1N1CCC(C#N)CC1 ZINC000192544364 387842974 /nfs/dbraw/zinc/84/29/74/387842974.db2.gz UTOXRTUTKSNQRF-UHFFFAOYSA-N 1 0 201.273 2.130 20 30 BEEDRO COC[C@@H]([NH2+]Cc1cccc(C#N)c1F)C1CC1 ZINC000347799266 387847316 /nfs/dbraw/zinc/84/73/16/387847316.db2.gz QSGZNEPHVLEHKX-CYBMUJFWSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C(CN[C@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423033469 387849195 /nfs/dbraw/zinc/84/91/95/387849195.db2.gz WWZUFFJRBGYTDH-KGLIPLIRSA-N 1 0 216.328 2.169 20 30 BEEDRO C=C(CN[C@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423033468 387849483 /nfs/dbraw/zinc/84/94/83/387849483.db2.gz WWZUFFJRBGYTDH-KBPBESRZSA-N 1 0 216.328 2.169 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442857794 387851112 /nfs/dbraw/zinc/85/11/12/387851112.db2.gz NZIRKLYLTGXKTL-CRWXNKLISA-N 1 0 234.343 2.249 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000226250310 387852482 /nfs/dbraw/zinc/85/24/82/387852482.db2.gz WTMIFQXPQDUOGD-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO Cc1cccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000442866785 387852652 /nfs/dbraw/zinc/85/26/52/387852652.db2.gz XBQVPUAVWUVFIF-JSGCOSHPSA-N 1 0 229.327 2.214 20 30 BEEDRO Cc1cccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442866788 387852820 /nfs/dbraw/zinc/85/28/20/387852820.db2.gz XBQVPUAVWUVFIF-TZMCWYRMSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000442869951 387853742 /nfs/dbraw/zinc/85/37/42/387853742.db2.gz BZBPHYJOVYHMRI-NWDGAFQWSA-N 1 0 235.327 2.227 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCOC1 ZINC000442878834 387855740 /nfs/dbraw/zinc/85/57/40/387855740.db2.gz VEELECCOEPFBAU-ABXWRUBCSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@@H](Cn1cccn1)[NH2+]CC1CCC(C#N)CC1 ZINC000442877065 387855863 /nfs/dbraw/zinc/85/58/63/387855863.db2.gz YWABDRZBECAJMH-HSBZDZAISA-N 1 0 246.358 2.191 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000424168786 387860246 /nfs/dbraw/zinc/86/02/46/387860246.db2.gz GSNUICPXJZUQPC-CYDGBPFRSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccoc1C ZINC000424170679 387860926 /nfs/dbraw/zinc/86/09/26/387860926.db2.gz JYBAKFUFPSTFDL-STQMWFEESA-N 1 0 221.300 2.269 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000424170764 387861147 /nfs/dbraw/zinc/86/11/47/387861147.db2.gz JLLGIBMHOXUTTA-TUAOUCFPSA-N 1 0 227.373 2.063 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@@H]2CCCC[C@@H]2C)nn1 ZINC000424172069 387865636 /nfs/dbraw/zinc/86/56/36/387865636.db2.gz NGJOHTXERDBSEE-STQMWFEESA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000643537211 387874650 /nfs/dbraw/zinc/87/46/50/387874650.db2.gz AZQIYLCVPCUFIU-RWMBFGLXSA-N 1 0 226.339 2.021 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C[NH3+])C(C)C ZINC000433136683 387868771 /nfs/dbraw/zinc/86/87/71/387868771.db2.gz QVPNGHITLVAAGS-ZDUSSCGKSA-N 1 0 240.391 2.422 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000424172929 387869124 /nfs/dbraw/zinc/86/91/24/387869124.db2.gz MIURNFZCLWDLFW-CGXNLCPXSA-N 1 0 244.338 2.276 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537205 387875770 /nfs/dbraw/zinc/87/57/70/387875770.db2.gz AWLRPJUVMGMOOS-TUAOUCFPSA-N 1 0 214.328 2.021 20 30 BEEDRO C=CCOc1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423097771 387887428 /nfs/dbraw/zinc/88/74/28/387887428.db2.gz BJHINNLQKLYNPJ-LSDHHAIUSA-N 1 0 246.354 2.221 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000448708014 387887642 /nfs/dbraw/zinc/88/76/42/387887642.db2.gz MFNFGRKDVDURIS-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@]1(O)CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000177371497 387917903 /nfs/dbraw/zinc/91/79/03/387917903.db2.gz ZUWPXEWPPQZLQG-CQSZACIVSA-N 1 0 249.741 2.148 20 30 BEEDRO C=CC[C@@H]1N(C(=O)C[NH+](C)C)CCCC1(C)C ZINC000444642539 387899275 /nfs/dbraw/zinc/89/92/75/387899275.db2.gz IHWAWUFNMSCFRR-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH+](CC=C)CCC[C@H]1CCOC1 ZINC000645776026 387899903 /nfs/dbraw/zinc/89/99/03/387899903.db2.gz YSOPDDLNCVBHGA-ZDUSSCGKSA-N 1 0 209.333 2.477 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cnccc1N ZINC000423119910 387901674 /nfs/dbraw/zinc/90/16/74/387901674.db2.gz FUBXYTYDLBUHPI-LLVKDONJSA-N 1 0 246.358 2.475 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])Nc1ccccc1)C(C)C ZINC000261530681 533220580 /nfs/dbraw/zinc/22/05/80/533220580.db2.gz OWQGSNJRWWFFBH-GFCCVEGCSA-N 1 0 215.300 2.071 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CCCC ZINC000328123210 387907463 /nfs/dbraw/zinc/90/74/63/387907463.db2.gz RVNUVUQHQUFENG-ZDUSSCGKSA-N 1 0 210.365 2.110 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)C1CC(O)C1 ZINC000444682064 387907654 /nfs/dbraw/zinc/90/76/54/387907654.db2.gz YJSDWARNFKRZNR-UHFFFAOYSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnccc1N ZINC000423151319 387930256 /nfs/dbraw/zinc/93/02/56/387930256.db2.gz JUSIDVBZRHSMPF-JTQLQIEISA-N 1 0 219.332 2.357 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@@H]2CCC[NH2+][C@@H]2C)n1 ZINC000229611601 177838404 /nfs/dbraw/zinc/83/84/04/177838404.db2.gz BJWBBVJGYMDBNG-DGCLKSJQSA-N 1 0 244.342 2.123 20 30 BEEDRO Cc1cc(F)cc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424199684 387926752 /nfs/dbraw/zinc/92/67/52/387926752.db2.gz ZFMMMUGJCBECPX-GFCCVEGCSA-N 1 0 249.289 2.094 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cn(CC=C)nn1 ZINC000424292833 387955185 /nfs/dbraw/zinc/95/51/85/387955185.db2.gz HPGAZWBEUXUTEA-GFCCVEGCSA-N 1 0 234.347 2.299 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)nn1 ZINC000424296426 387956599 /nfs/dbraw/zinc/95/65/99/387956599.db2.gz OKHVEZAKGAZXPS-YRGRVCCFSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](CC)CCC)nn1 ZINC000424296639 387955904 /nfs/dbraw/zinc/95/59/04/387955904.db2.gz PAOSRGSLOBPSFJ-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CCCCCC1)C(C)(C)C ZINC000262345915 533221070 /nfs/dbraw/zinc/22/10/70/533221070.db2.gz ZTODXSSXSPPZKP-GFCCVEGCSA-N 1 0 235.375 2.225 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000321064555 387940665 /nfs/dbraw/zinc/94/06/65/387940665.db2.gz YSUFKAKRLSOGTI-GXTWGEPZSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1CC(C(C)C)C1 ZINC000321068803 387942365 /nfs/dbraw/zinc/94/23/65/387942365.db2.gz FLPYGXRLDWRWIJ-CPCZMJQVSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CCC2(COC2)CC1 ZINC001172491709 974839963 /nfs/dbraw/zinc/83/99/63/974839963.db2.gz GSFSTLQKJDWQID-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000424299570 387958473 /nfs/dbraw/zinc/95/84/73/387958473.db2.gz VPWLERZHQOMEJN-FQUUOJAGSA-N 1 0 234.343 2.249 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1nccn1C ZINC000424301297 387961508 /nfs/dbraw/zinc/96/15/08/387961508.db2.gz ZRWDLYYLKRTBSP-AVGNSLFASA-N 1 0 249.358 2.052 20 30 BEEDRO C=CC1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423176164 387962360 /nfs/dbraw/zinc/96/23/60/387962360.db2.gz GJIRPHRBHHMZJO-YPMHNXCESA-N 1 0 238.375 2.030 20 30 BEEDRO C=CC1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423176161 387962471 /nfs/dbraw/zinc/96/24/71/387962471.db2.gz GJIRPHRBHHMZJO-AAEUAGOBSA-N 1 0 238.375 2.030 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCCS(C)(=O)=O ZINC000424312108 387966481 /nfs/dbraw/zinc/96/64/81/387966481.db2.gz VZQYJVLQTYNNOA-RYUDHWBXSA-N 1 0 247.404 2.002 20 30 BEEDRO C[C@@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424319552 387969247 /nfs/dbraw/zinc/96/92/47/387969247.db2.gz DZUUTALZOXVKED-GMXVVIOVSA-N 1 0 218.300 2.492 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)CC[C@H](C)O ZINC000438972660 387970074 /nfs/dbraw/zinc/97/00/74/387970074.db2.gz ALDWAQXJHAXAIN-AWEZNQCLSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)nn1 ZINC000424296423 387956948 /nfs/dbraw/zinc/95/69/48/387956948.db2.gz OKHVEZAKGAZXPS-MBNYWOFBSA-N 1 0 248.374 2.378 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cncs1 ZINC000424326461 387972658 /nfs/dbraw/zinc/97/26/58/387972658.db2.gz LTWAHWRJIJWOMX-KXUCPTDWSA-N 1 0 221.329 2.486 20 30 BEEDRO CC#CC[N@H+](C)CCc1c(F)cccc1F ZINC000645923368 387972811 /nfs/dbraw/zinc/97/28/11/387972811.db2.gz WRHPMILCTPSBDU-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000106868179 387973112 /nfs/dbraw/zinc/97/31/12/387973112.db2.gz DAJGZXYFAFPRBE-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424329954 387975609 /nfs/dbraw/zinc/97/56/09/387975609.db2.gz RDTOKBSDJUXRBZ-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424333043 387977118 /nfs/dbraw/zinc/97/71/18/387977118.db2.gz UEAQAFDXLRZFKS-IGQOVBAYSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)c1ccsc1 ZINC000308554439 135079586 /nfs/dbraw/zinc/07/95/86/135079586.db2.gz YSLPAJMXMVZOPA-LLVKDONJSA-N 1 0 211.330 2.337 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)[C@H](C)[C@H](C)O1 ZINC000446068481 387991264 /nfs/dbraw/zinc/99/12/64/387991264.db2.gz CZYRLKLDZQQGAU-UTUOFQBUSA-N 1 0 242.388 2.131 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245913790 387993234 /nfs/dbraw/zinc/99/32/34/387993234.db2.gz RQTZTWASIBYZLM-NWDGAFQWSA-N 1 0 227.373 2.159 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(CC#N)CC3)C[C@H]2C1 ZINC000424343147 387986883 /nfs/dbraw/zinc/98/68/83/387986883.db2.gz FCWZYRUCDFOEAG-COVPZLACSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1nccn1CC ZINC000453143874 387996873 /nfs/dbraw/zinc/99/68/73/387996873.db2.gz JPXKYQNCOBCWGW-GFCCVEGCSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCn2cccc2[C@@H]1C ZINC000246029013 388002991 /nfs/dbraw/zinc/00/29/91/388002991.db2.gz PGPMHDQSYORXQQ-STQMWFEESA-N 1 0 234.343 2.192 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](CC)c1ccncc1 ZINC000453197488 388008558 /nfs/dbraw/zinc/00/85/58/388008558.db2.gz NHIDYXGJSYOYJA-STQMWFEESA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)CN1CCC([NH2+]CC2(F)CC2)CC1 ZINC000309675301 388008869 /nfs/dbraw/zinc/00/88/69/388008869.db2.gz LLPZXWXWPQRKPJ-UHFFFAOYSA-N 1 0 226.339 2.119 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424431934 388010508 /nfs/dbraw/zinc/01/05/08/388010508.db2.gz GLWRZVMYTXVTGX-JTQLQIEISA-N 1 0 233.315 2.150 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[N@H+](C)[C@H](C)C[S@](C)=O ZINC000253190065 135123764 /nfs/dbraw/zinc/12/37/64/135123764.db2.gz RCMDGFLEFWIZFJ-OXIQGZBJSA-N 1 0 231.405 2.286 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453234833 388019092 /nfs/dbraw/zinc/01/90/92/388019092.db2.gz YUEFURUMDKJRRB-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439781015 388020239 /nfs/dbraw/zinc/02/02/39/388020239.db2.gz IPXWNNLQHKBDCV-YPMHNXCESA-N 1 0 236.359 2.084 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCOC1 ZINC000453289793 388036087 /nfs/dbraw/zinc/03/60/87/388036087.db2.gz JBBGNLRBJQHKRL-CRWXNKLISA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCCO1 ZINC000453290855 388036111 /nfs/dbraw/zinc/03/61/11/388036111.db2.gz MBKBZOTVJVIJSK-VOAKCMCISA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000446820725 388040283 /nfs/dbraw/zinc/04/02/83/388040283.db2.gz GZHIYXWYKGRCJL-YIYPIFLZSA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000446820724 388040625 /nfs/dbraw/zinc/04/06/25/388040625.db2.gz GZHIYXWYKGRCJL-RFQIPJPRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)c1nccn1C ZINC000453311448 388041858 /nfs/dbraw/zinc/04/18/58/388041858.db2.gz GGEHPUNYXFCDRH-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453312438 388042574 /nfs/dbraw/zinc/04/25/74/388042574.db2.gz GVHFLOXEKSFOSI-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC)c1nccn1C ZINC000453311447 388042950 /nfs/dbraw/zinc/04/29/50/388042950.db2.gz GGEHPUNYXFCDRH-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000453253990 388026589 /nfs/dbraw/zinc/02/65/89/388026589.db2.gz OOOJCJBMVACRBF-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000159717967 388028506 /nfs/dbraw/zinc/02/85/06/388028506.db2.gz JNJLUBXQRBEETF-NSHDSACASA-N 1 0 207.321 2.264 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000453336975 388051068 /nfs/dbraw/zinc/05/10/68/388051068.db2.gz GEOJLHKBEMKBNP-YUTCNCBUSA-N 1 0 249.358 2.194 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C(=O)OCC)CC1 ZINC000160192815 388051302 /nfs/dbraw/zinc/05/13/02/388051302.db2.gz HEDLJBPMGDOMEK-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cncs1 ZINC000453339718 388052049 /nfs/dbraw/zinc/05/20/49/388052049.db2.gz BSOQQGZNDNAYQW-AEJSXWLSSA-N 1 0 224.329 2.137 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000453341836 388052671 /nfs/dbraw/zinc/05/26/71/388052671.db2.gz DAFZCXBIFWHVEE-YUTCNCBUSA-N 1 0 232.327 2.384 20 30 BEEDRO C=C(C)CC[N@@H+](CC(=O)OCC)C(C)C ZINC000160197901 388052850 /nfs/dbraw/zinc/05/28/50/388052850.db2.gz JBKCYLCSPSHEIJ-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)C1CC1 ZINC000453354354 388057281 /nfs/dbraw/zinc/05/72/81/388057281.db2.gz NJCSMNJGBHPDOM-XQQFMLRXSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccncc1F ZINC000453359753 388058403 /nfs/dbraw/zinc/05/84/03/388058403.db2.gz PFKRPGZHSUYVJY-MNOVXSKESA-N 1 0 238.306 2.198 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CCCOC ZINC000453358514 388058720 /nfs/dbraw/zinc/05/87/20/388058720.db2.gz OWFDLFCVKCNVAC-XQQFMLRXSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC1(CO)CC1)C1CC1 ZINC000453363386 388059901 /nfs/dbraw/zinc/05/99/01/388059901.db2.gz UYLCCZZBZGOCTK-ZDUSSCGKSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453366408 388060988 /nfs/dbraw/zinc/06/09/88/388060988.db2.gz RSFBRPTVYNYXFB-WFASDCNBSA-N 1 0 249.354 2.157 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cnccc1C ZINC000453371807 388062842 /nfs/dbraw/zinc/06/28/42/388062842.db2.gz UYVIVQBRBHQYPT-QWHCGFSZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000453373813 388062890 /nfs/dbraw/zinc/06/28/90/388062890.db2.gz WVKAWBPMZBSIKF-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000453382695 388065361 /nfs/dbraw/zinc/06/53/61/388065361.db2.gz YCWTVFGIJDJVNS-LBPRGKRZSA-N 1 0 207.321 2.427 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@@H]1COCC ZINC000453411605 388077246 /nfs/dbraw/zinc/07/72/46/388077246.db2.gz AGPJVCLKUKELNA-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC[C@@H]1CCOC1 ZINC000645925403 388086488 /nfs/dbraw/zinc/08/64/88/388086488.db2.gz PEMHQZKWFUTBEU-MCIONIFRSA-N 1 0 239.359 2.126 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1F ZINC000042338059 388087627 /nfs/dbraw/zinc/08/76/27/388087627.db2.gz VNCDXHFURIRZFQ-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1sccc1C ZINC000336660303 388091282 /nfs/dbraw/zinc/09/12/82/388091282.db2.gz BVHSWJWLADWVOC-LLVKDONJSA-N 1 0 225.357 2.331 20 30 BEEDRO C[C@@H](O)C[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000163957073 388110682 /nfs/dbraw/zinc/11/06/82/388110682.db2.gz BRLSBMHEMADFGA-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000424545019 388113633 /nfs/dbraw/zinc/11/36/33/388113633.db2.gz PRZXEVPRDAEQLW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C[C@H](CN)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423266468 388046175 /nfs/dbraw/zinc/04/61/75/388046175.db2.gz SCPGFIQKMIFAFK-RWMBFGLXSA-N 1 0 223.364 2.032 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453335918 388050418 /nfs/dbraw/zinc/05/04/18/388050418.db2.gz AOHLTHHJUSMCKB-GXTWGEPZSA-N 1 0 234.343 2.368 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449195303 388156231 /nfs/dbraw/zinc/15/62/31/388156231.db2.gz QVAFFLIMNUOCCV-HSBZDZAISA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1OC ZINC000449236741 388160073 /nfs/dbraw/zinc/16/00/73/388160073.db2.gz LDLULWLIHSCWQZ-ZDUSSCGKSA-N 1 0 235.327 2.030 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)NCC=C ZINC000449248485 388162900 /nfs/dbraw/zinc/16/29/00/388162900.db2.gz HQVFMZAMAYZWIO-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000449284368 388166935 /nfs/dbraw/zinc/16/69/35/388166935.db2.gz NZCKYJIRHYSSJF-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000449295871 388169009 /nfs/dbraw/zinc/16/90/09/388169009.db2.gz VTZPDJUIWZCVGZ-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CCO[C@H]1C ZINC000449294386 388169018 /nfs/dbraw/zinc/16/90/18/388169018.db2.gz YWAXBHXNXXJAMD-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)C1CC1 ZINC000449324901 388173216 /nfs/dbraw/zinc/17/32/16/388173216.db2.gz IDSQGIVFKXLUJV-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CCC(OC)CC1 ZINC000164257322 388184034 /nfs/dbraw/zinc/18/40/34/388184034.db2.gz HQBSNKGTRLGNRN-UNXYVOJBSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000448883478 388116919 /nfs/dbraw/zinc/11/69/19/388116919.db2.gz QXXRFVFVTFTYHD-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@H](O)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249399897 388119279 /nfs/dbraw/zinc/11/92/79/388119279.db2.gz UUWPFPTVVKNILC-HUBLWGQQSA-N 1 0 244.338 2.322 20 30 BEEDRO COCC#CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000646002009 388123134 /nfs/dbraw/zinc/12/31/34/388123134.db2.gz GMVJGHMVSGRYDH-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1c(C)nnn1CC ZINC000449030738 388132888 /nfs/dbraw/zinc/13/28/88/388132888.db2.gz SNESAQGLSQEYCU-UHFFFAOYSA-N 1 0 222.336 2.004 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1COCCO1 ZINC000449093328 388141548 /nfs/dbraw/zinc/14/15/48/388141548.db2.gz VNFFJGLNBMNGIL-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCC(=O)N(C)C ZINC000449103836 388141816 /nfs/dbraw/zinc/14/18/16/388141816.db2.gz CLBXJUKBYOPWPB-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000449099497 388142381 /nfs/dbraw/zinc/14/23/81/388142381.db2.gz NUHYTGYCTQMLAA-STQMWFEESA-N 1 0 236.363 2.391 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000646116589 388145570 /nfs/dbraw/zinc/14/55/70/388145570.db2.gz QPSPIJWARZXTMZ-OLZOCXBDSA-N 1 0 221.344 2.432 20 30 BEEDRO CCC[C@@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449140446 388147582 /nfs/dbraw/zinc/14/75/82/388147582.db2.gz BWKCZGKULKZDBX-OTTFEQOBSA-N 1 0 224.348 2.209 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC000449152848 388149671 /nfs/dbraw/zinc/14/96/71/388149671.db2.gz HWHGHNDPKWOKEK-PXELTDHWSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCOCC[N@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646135584 388152195 /nfs/dbraw/zinc/15/21/95/388152195.db2.gz STHYXMGMJZQGBO-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C[N@@H+]1CCC[C@H](CNCc2cc(C#N)cs2)C1 ZINC000093492635 388248519 /nfs/dbraw/zinc/24/85/19/388248519.db2.gz ALWWCSHOVURSOC-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO C#CC[N@@H+](C)Cc1cnc2ccccc2c1 ZINC000490800058 388254761 /nfs/dbraw/zinc/25/47/61/388254761.db2.gz MXBMDWTXYRKVKU-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO C#CC[N@H+](C)CCCCC1CCOCC1 ZINC000490799319 388254954 /nfs/dbraw/zinc/25/49/54/388254954.db2.gz FEWIXABUMVVRQD-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C(C)C ZINC000309985172 256528333 /nfs/dbraw/zinc/52/83/33/256528333.db2.gz ITPNDCBAWUKATK-ZIAGYGMSSA-N 1 0 235.302 2.107 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(-n2cccn2)c1 ZINC000490891424 388258178 /nfs/dbraw/zinc/25/81/78/388258178.db2.gz FRGIKWVFVLTBIU-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccnc1OC ZINC000488975646 388199535 /nfs/dbraw/zinc/19/95/35/388199535.db2.gz CAFDJYTURZVYEU-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO CCOC[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446018 388207932 /nfs/dbraw/zinc/20/79/32/388207932.db2.gz NTWSMZSZZNZDTQ-WOPDTQHZSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449449407 388209527 /nfs/dbraw/zinc/20/95/27/388209527.db2.gz LGLBTSKNIPVIAH-GRYCIOLGSA-N 1 0 224.348 2.208 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000489408259 388211404 /nfs/dbraw/zinc/21/14/04/388211404.db2.gz RCDOJFPCTWHZPE-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000449478623 388214411 /nfs/dbraw/zinc/21/44/11/388214411.db2.gz SAJIFJUGZJUHMQ-MRXNPFEDSA-N 1 0 237.368 2.480 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000449480836 388215569 /nfs/dbraw/zinc/21/55/69/388215569.db2.gz ZYSBWBWIUKIYLR-YPMHNXCESA-N 1 0 208.349 2.025 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000489473924 388216878 /nfs/dbraw/zinc/21/68/78/388216878.db2.gz JKTQILVOGFBIFX-UWVGGRQHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCCc1nc(C)no1 ZINC000489498453 388218724 /nfs/dbraw/zinc/21/87/24/388218724.db2.gz QKNRSZUJLCEABN-LBPRGKRZSA-N 1 0 235.331 2.351 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037196340 388220049 /nfs/dbraw/zinc/22/00/49/388220049.db2.gz USEWUJSXLXQVIY-GHMZBOCLSA-N 1 0 218.300 2.244 20 30 BEEDRO COC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037196339 388220263 /nfs/dbraw/zinc/22/02/63/388220263.db2.gz USEWUJSXLXQVIY-WDEREUQCSA-N 1 0 218.300 2.244 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000449521903 388221787 /nfs/dbraw/zinc/22/17/87/388221787.db2.gz TUXQIBCAWIQPQB-XQQFMLRXSA-N 1 0 207.317 2.276 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000449518115 388222823 /nfs/dbraw/zinc/22/28/23/388222823.db2.gz ILHJIVBTQJNFGV-CRWXNKLISA-N 1 0 239.359 2.123 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000456809806 388223614 /nfs/dbraw/zinc/22/36/14/388223614.db2.gz CKPWHTYWOWRUGQ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(CC)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000456835419 388226669 /nfs/dbraw/zinc/22/66/69/388226669.db2.gz HFTCVZUOVDYXGQ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000449546481 388229335 /nfs/dbraw/zinc/22/93/35/388229335.db2.gz CFYKDKKJTXPHLL-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000449547849 388229860 /nfs/dbraw/zinc/22/98/60/388229860.db2.gz KEKZFDLRYOVKEA-OLZOCXBDSA-N 1 0 221.300 2.411 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccnn1C(C)C ZINC000449548503 388229969 /nfs/dbraw/zinc/22/99/69/388229969.db2.gz OAAUEADTOQHCOO-KGLIPLIRSA-N 1 0 249.358 2.287 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000449548718 388230021 /nfs/dbraw/zinc/23/00/21/388230021.db2.gz PZHOKROBPSTQPY-OLZOCXBDSA-N 1 0 248.351 2.443 20 30 BEEDRO CC#CCC[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451542641 388280771 /nfs/dbraw/zinc/28/07/71/388280771.db2.gz NWBBZWRMTAAEMI-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC(C)=O)cc1)C1CC1 ZINC000491279244 388282086 /nfs/dbraw/zinc/28/20/86/388282086.db2.gz XJZHTRWRQVLWKZ-UHFFFAOYSA-N 1 0 243.306 2.210 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C#N)(COC)CC1 ZINC000341992828 256631530 /nfs/dbraw/zinc/63/15/30/256631530.db2.gz PXUNAYKTEBUMQT-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO C=C(C)CC[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451613188 388284163 /nfs/dbraw/zinc/28/41/63/388284163.db2.gz NAGPXMGBTRRQFA-KGLIPLIRSA-N 1 0 223.360 2.339 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)ncn1)C1CCCC1 ZINC000491314003 388284391 /nfs/dbraw/zinc/28/43/91/388284391.db2.gz CFJHCHMXTWDSFH-UHFFFAOYSA-N 1 0 229.327 2.163 20 30 BEEDRO C=CCC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451617870 388284842 /nfs/dbraw/zinc/28/48/42/388284842.db2.gz VBERYPFZWOCQCU-QWHCGFSZSA-N 1 0 213.365 2.441 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1nc2ccccc2n1C ZINC000491372188 388289084 /nfs/dbraw/zinc/28/90/84/388289084.db2.gz IGNKXRXGUYEFBJ-GFCCVEGCSA-N 1 0 241.338 2.069 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccn(C(C)C)n1 ZINC000451677292 388289120 /nfs/dbraw/zinc/28/91/20/388289120.db2.gz UPNGHQYAYCMPRY-KGLIPLIRSA-N 1 0 249.358 2.287 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000451685353 388289717 /nfs/dbraw/zinc/28/97/17/388289717.db2.gz XJHCGTUXAVGGEF-CABCVRRESA-N 1 0 247.338 2.002 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000491376319 388289940 /nfs/dbraw/zinc/28/99/40/388289940.db2.gz ZKDNPBLNOSVZGP-UHFFFAOYSA-N 1 0 247.386 2.004 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CCC1 ZINC000451696172 388290483 /nfs/dbraw/zinc/29/04/83/388290483.db2.gz FWHZUAWPXBYWMY-MCIONIFRSA-N 1 0 248.370 2.163 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)nn(CCC)c1C ZINC000491384091 388291044 /nfs/dbraw/zinc/29/10/44/388291044.db2.gz NLJUVJONCGFKTG-CYBMUJFWSA-N 1 0 233.359 2.411 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(OCC)n1)C(C)C ZINC000491393709 388291916 /nfs/dbraw/zinc/29/19/16/388291916.db2.gz JPAYTSJSRZNOIO-ZDUSSCGKSA-N 1 0 232.327 2.228 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])Nc1cccc(OC)c1 ZINC000491441758 388295165 /nfs/dbraw/zinc/29/51/65/388295165.db2.gz XPRPJRAYSPYJID-LLVKDONJSA-N 1 0 245.326 2.433 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])NCCCCCC ZINC000491441680 388295328 /nfs/dbraw/zinc/29/53/28/388295328.db2.gz XFLMANJOPJDGBL-LBPRGKRZSA-N 1 0 223.364 2.483 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000491466004 388296710 /nfs/dbraw/zinc/29/67/10/388296710.db2.gz YRDBAMBVFHQUAF-UKRRQHHQSA-N 1 0 235.371 2.415 20 30 BEEDRO C=CCCCN1CC[NH+]([C@H](C)CC)CC1 ZINC000451831044 388298959 /nfs/dbraw/zinc/29/89/59/388298959.db2.gz ZFTYRZMRTMJPCI-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000451831045 388299215 /nfs/dbraw/zinc/29/92/15/388299215.db2.gz ZFTYRZMRTMJPCI-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CC#CCC[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451858382 388301393 /nfs/dbraw/zinc/30/13/93/388301393.db2.gz VISFRQUEMFVXRG-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(CC)nn(C)c1CC ZINC000491554292 388303258 /nfs/dbraw/zinc/30/32/58/388303258.db2.gz HYYXIHKCQIDLRJ-NSHDSACASA-N 1 0 233.359 2.046 20 30 BEEDRO C#CC[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000491617717 388305223 /nfs/dbraw/zinc/30/52/23/388305223.db2.gz KTZDVTWKYVBEDN-UHFFFAOYSA-N 1 0 242.326 2.077 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000491620719 388305310 /nfs/dbraw/zinc/30/53/10/388305310.db2.gz DZGAMHGUUOPXEE-KBMXLJTQSA-N 1 0 245.366 2.398 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000491620723 388305340 /nfs/dbraw/zinc/30/53/40/388305340.db2.gz DZGAMHGUUOPXEE-VNQPRFMTSA-N 1 0 245.366 2.398 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000491620905 388305535 /nfs/dbraw/zinc/30/55/35/388305535.db2.gz HPJMWKFXQGVBOW-ITGHMWBKSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)C(C)C ZINC000491627541 388306092 /nfs/dbraw/zinc/30/60/92/388306092.db2.gz JROBAOBMVFTJCQ-JSGCOSHPSA-N 1 0 246.354 2.269 20 30 BEEDRO C#CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000491631000 388306413 /nfs/dbraw/zinc/30/64/13/388306413.db2.gz PSVZQQMIOGKZPE-UHFFFAOYSA-N 1 0 231.343 2.009 20 30 BEEDRO C#C[C@H](C)N(C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000491643843 388307501 /nfs/dbraw/zinc/30/75/01/388307501.db2.gz HVYHJCOJYRJZQM-ZDUSSCGKSA-N 1 0 244.338 2.195 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OCCOC)cc1 ZINC000491653170 388308140 /nfs/dbraw/zinc/30/81/40/388308140.db2.gz CPOSMKDKCCHGMK-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000491657732 388308469 /nfs/dbraw/zinc/30/84/69/388308469.db2.gz JKQKGBFQOSDPFT-GFCCVEGCSA-N 1 0 228.295 2.042 20 30 BEEDRO C#CC[N@@H+](CCC[C@@H](C)O)C1CCCCC1 ZINC000491659100 388308809 /nfs/dbraw/zinc/30/88/09/388308809.db2.gz KTBSABGSOJIZOQ-CYBMUJFWSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(Cl)c(OC)c1 ZINC000491682731 388310702 /nfs/dbraw/zinc/31/07/02/388310702.db2.gz UNBNCESHKHAHPO-UHFFFAOYSA-N 1 0 223.703 2.414 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCOc1ccccc1OCC ZINC000491693787 388311325 /nfs/dbraw/zinc/31/13/25/388311325.db2.gz UQCGHGFIBMGXLE-ZDUSSCGKSA-N 1 0 247.338 2.418 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1OCC ZINC000491693785 388311399 /nfs/dbraw/zinc/31/13/99/388311399.db2.gz UQCGHGFIBMGXLE-CYBMUJFWSA-N 1 0 247.338 2.418 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000491695153 388311914 /nfs/dbraw/zinc/31/19/14/388311914.db2.gz WWDFFAVSYDBMMG-VIFPVBQESA-N 1 0 209.239 2.418 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000491697213 388312049 /nfs/dbraw/zinc/31/20/49/388312049.db2.gz ZRMVOMRGVMFXMG-LLVKDONJSA-N 1 0 247.729 2.489 20 30 BEEDRO C#C[C@H](CCC)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000491697922 388312156 /nfs/dbraw/zinc/31/21/56/388312156.db2.gz RWBXRPMWHOKPME-CHWSQXEVSA-N 1 0 238.375 2.025 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC)c(OC)c1C ZINC000491699152 388312386 /nfs/dbraw/zinc/31/23/86/388312386.db2.gz BFUPGVVTQMRHMY-UHFFFAOYSA-N 1 0 247.338 2.467 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000491706868 388313464 /nfs/dbraw/zinc/31/34/64/388313464.db2.gz FHTAGPMOPVDIMN-CFNZNRNTSA-N 1 0 244.338 2.447 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)CC2(C)CC2)n1 ZINC000491730896 388315480 /nfs/dbraw/zinc/31/54/80/388315480.db2.gz JWHPTJYOFQSUBC-UHFFFAOYSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CCN(C)Cc1cc(-c2ccccc2)no1 ZINC000491731681 388315963 /nfs/dbraw/zinc/31/59/63/388315963.db2.gz JAZLYZFBJOQTAL-UHFFFAOYSA-N 1 0 226.279 2.407 20 30 BEEDRO C#C[C@H](C)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000491735145 388316131 /nfs/dbraw/zinc/31/61/31/388316131.db2.gz CKGZNNFWYFVXPM-NSHDSACASA-N 1 0 241.294 2.190 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000491736505 388316486 /nfs/dbraw/zinc/31/64/86/388316486.db2.gz AYCJTJYPXLJSEY-UHFFFAOYSA-N 1 0 218.325 2.463 20 30 BEEDRO C#CC[N@H+](CC1CCC2(CC1)OCCO2)C1CC1 ZINC000491738576 388316548 /nfs/dbraw/zinc/31/65/48/388316548.db2.gz RKBLQIOMAKPKLQ-UHFFFAOYSA-N 1 0 249.354 2.017 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2c(c1)ncn2C ZINC000491746227 388317214 /nfs/dbraw/zinc/31/72/14/388317214.db2.gz YJRGEJBWKDXSRV-LLVKDONJSA-N 1 0 227.311 2.027 20 30 BEEDRO C#CC[N@@H+](C)CC/C=C/c1cncc(OC)c1 ZINC000491750436 388317699 /nfs/dbraw/zinc/31/76/99/388317699.db2.gz SBSOIDOMDWJMIH-FNORWQNLSA-N 1 0 230.311 2.059 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1cccc(F)c1F ZINC000491751115 388317883 /nfs/dbraw/zinc/31/78/83/388317883.db2.gz JTYFYWCHZOWHHE-SNVBAGLBSA-N 1 0 223.266 2.461 20 30 BEEDRO C#CC[N@@H+](CCC1(O)CCC1)C1CCCC1 ZINC000491753940 388318275 /nfs/dbraw/zinc/31/82/75/388318275.db2.gz QPWBSLYNQNXXOA-UHFFFAOYSA-N 1 0 221.344 2.169 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)CCC(C)C ZINC000491771498 388319293 /nfs/dbraw/zinc/31/92/93/388319293.db2.gz RSERBGJNPXLTOP-GFCCVEGCSA-N 1 0 211.349 2.127 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccccc1F ZINC000491781092 388320372 /nfs/dbraw/zinc/32/03/72/388320372.db2.gz FUIZHBPQSJOGFA-LLVKDONJSA-N 1 0 205.276 2.322 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCCC)c1ccc(F)cc1 ZINC000491783769 388321065 /nfs/dbraw/zinc/32/10/65/388321065.db2.gz RTQWSQSFIJTVEN-ZDUSSCGKSA-N 1 0 247.317 2.414 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCOc1cccc(OC)c1 ZINC000491788064 388321138 /nfs/dbraw/zinc/32/11/38/388321138.db2.gz RVOYLDBDENDIBY-LBPRGKRZSA-N 1 0 233.311 2.028 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)c1ccc(F)cc1C ZINC000491788602 388321189 /nfs/dbraw/zinc/32/11/89/388321189.db2.gz STUXHSVUTZOOEN-SMDDNHRTSA-N 1 0 235.302 2.121 20 30 BEEDRO C#CC[N@H+](CCCO[C@@H]1CCCCO1)C1CC1 ZINC000491804567 388321728 /nfs/dbraw/zinc/32/17/28/388321728.db2.gz LVRAXYAOCCJYOY-CQSZACIVSA-N 1 0 237.343 2.017 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccn(CCC)c1 ZINC000491805838 388321790 /nfs/dbraw/zinc/32/17/90/388321790.db2.gz PKVSCFWKUIFPEM-GFCCVEGCSA-N 1 0 204.317 2.352 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000491818048 388323658 /nfs/dbraw/zinc/32/36/58/388323658.db2.gz WUQCDMHGGOXNEU-GXTWGEPZSA-N 1 0 242.322 2.479 20 30 BEEDRO C#CC[N@@H+](CCC(C)(C)O)C1CCCCC1 ZINC000490973979 388262813 /nfs/dbraw/zinc/26/28/13/388262813.db2.gz MSLDEFQNLSNATI-UHFFFAOYSA-N 1 0 223.360 2.415 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367639 388266112 /nfs/dbraw/zinc/26/61/12/388266112.db2.gz KHVIPCXNGCXUIZ-YXMSTPNBSA-N 1 0 247.382 2.458 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](C(F)(F)F)[C@H]1C ZINC000491037089 388266375 /nfs/dbraw/zinc/26/63/75/388266375.db2.gz BPGDAZVDBITRFP-RKDXNWHRSA-N 1 0 205.223 2.282 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCC(=O)c1ccc(OC)cc1 ZINC000491072592 388268025 /nfs/dbraw/zinc/26/80/25/388268025.db2.gz UCJCCUSPUNIOHJ-GFCCVEGCSA-N 1 0 245.322 2.222 20 30 BEEDRO C=C(C)C[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000491114371 388270176 /nfs/dbraw/zinc/27/01/76/388270176.db2.gz JOMXSRAERPZSQA-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCCC[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451404350 388270447 /nfs/dbraw/zinc/27/04/47/388270447.db2.gz OAQDGVWBAPSEJB-UHFFFAOYSA-N 1 0 248.374 2.405 20 30 BEEDRO C#CC[N@H+](CCOCCC#N)C1CCCCC1 ZINC000491120868 388270960 /nfs/dbraw/zinc/27/09/60/388270960.db2.gz OGCFBHJNEJAJFQ-UHFFFAOYSA-N 1 0 234.343 2.185 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000451469287 388276562 /nfs/dbraw/zinc/27/65/62/388276562.db2.gz LWVATOJKVKBACR-UTUOFQBUSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000323729799 388276607 /nfs/dbraw/zinc/27/66/07/388276607.db2.gz WFFGECFGMJPAKA-GJZGRUSLSA-N 1 0 247.338 2.254 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451490376 388277508 /nfs/dbraw/zinc/27/75/08/388277508.db2.gz LVOIWHNAJBQPKV-JHJVBQTASA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000451486573 388277657 /nfs/dbraw/zinc/27/76/57/388277657.db2.gz JZRLJGLXJZOCSA-SGMGOOAPSA-N 1 0 241.375 2.107 20 30 BEEDRO C#CCn1ccc(CN(CC)CC[C@H](C)F)n1 ZINC000491210441 388278099 /nfs/dbraw/zinc/27/80/99/388278099.db2.gz UJGFEVRTXINHNJ-LBPRGKRZSA-N 1 0 237.322 2.086 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC2(C#N)CCC2)C[C@H]1C ZINC000451544949 388280546 /nfs/dbraw/zinc/28/05/46/388280546.db2.gz QLQQGHIZSRNWOM-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CO)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032779 388347232 /nfs/dbraw/zinc/34/72/32/388347232.db2.gz AAKDZVXGZRCJQB-GFCCVEGCSA-N 1 0 244.338 2.155 20 30 BEEDRO C[C@H]([NH2+]CC1(C)COC1)c1cccc(C#N)c1 ZINC000094721621 388353888 /nfs/dbraw/zinc/35/38/88/388353888.db2.gz RQQQEYTUIXJRQT-NSHDSACASA-N 1 0 230.311 2.245 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC1CC1 ZINC000193488423 388358285 /nfs/dbraw/zinc/35/82/85/388358285.db2.gz CUYWEBOPEJKQFO-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCOC1 ZINC000162915966 388366022 /nfs/dbraw/zinc/36/60/22/388366022.db2.gz JVNGXKTVLLQFSA-SMDDNHRTSA-N 1 0 230.311 2.073 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1 ZINC000519183367 256645324 /nfs/dbraw/zinc/64/53/24/256645324.db2.gz PSFQIBNSBZCRSP-BTTYYORXSA-N 1 0 212.296 2.446 20 30 BEEDRO C[NH+](C)C1(CNc2cc(C#N)ccn2)CCCC1 ZINC000132795682 388369516 /nfs/dbraw/zinc/36/95/16/388369516.db2.gz QGJXIRDGXFJCLF-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000271169592 388375192 /nfs/dbraw/zinc/37/51/92/388375192.db2.gz IODNLBOCXWVCNJ-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)c1cn[nH]c1 ZINC000595055821 388376634 /nfs/dbraw/zinc/37/66/34/388376634.db2.gz JYSBNJQLOJVUIJ-NSHDSACASA-N 1 0 240.310 2.175 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@@H]1CCOC1 ZINC000163378435 388377700 /nfs/dbraw/zinc/37/77/00/388377700.db2.gz LFWVKSGDSJWBBC-CMPLNLGQSA-N 1 0 248.301 2.212 20 30 BEEDRO CCC[C@H](C[NH2+]Cc1cccc(C#N)c1)OC ZINC000293818869 388392163 /nfs/dbraw/zinc/39/21/63/388392163.db2.gz ZNUASZZXCCVTRF-CQSZACIVSA-N 1 0 232.327 2.463 20 30 BEEDRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164568273 388393995 /nfs/dbraw/zinc/39/39/95/388393995.db2.gz IEZNBAFCAJNUMJ-SRVKXCTJSA-N 1 0 232.327 2.226 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]Cc1cccc(C#N)c1 ZINC000272273974 388402150 /nfs/dbraw/zinc/40/21/50/388402150.db2.gz LUBGTELWNGIHTH-LBPRGKRZSA-N 1 0 232.327 2.199 20 30 BEEDRO C[C@@H]1OCC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272310341 388402759 /nfs/dbraw/zinc/40/27/59/388402759.db2.gz SXAQQNIHEMBRFA-FZMZJTMJSA-N 1 0 242.322 2.314 20 30 BEEDRO COC(=O)C(C)(C)CC[N@H+](CCC#N)C(C)C ZINC000525976995 388440007 /nfs/dbraw/zinc/44/00/07/388440007.db2.gz VOUANHJPSFNGEF-UHFFFAOYSA-N 1 0 240.347 2.200 20 30 BEEDRO CCS[C@H]1CCC[C@@H]1[NH2+]CCOCCC#N ZINC000339182746 388480283 /nfs/dbraw/zinc/48/02/83/388480283.db2.gz BZOZKKPCGSJWNH-RYUDHWBXSA-N 1 0 242.388 2.180 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000174406409 388440573 /nfs/dbraw/zinc/44/05/73/388440573.db2.gz RYZYSIVLYZVXQH-SNVBAGLBSA-N 1 0 236.315 2.038 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCCc1ccccc1 ZINC000649246393 388467715 /nfs/dbraw/zinc/46/77/15/388467715.db2.gz UBRPMXJWYZSYDA-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](CC)Cc1ccc(OC)cc1 ZINC000649249359 388469233 /nfs/dbraw/zinc/46/92/33/388469233.db2.gz XBVMGQGIFSSDFV-HNNXBMFYSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648853313 388470778 /nfs/dbraw/zinc/47/07/78/388470778.db2.gz UZKJKNOMKGIBLD-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cn(C(C)C)nc1C ZINC000309999748 388472298 /nfs/dbraw/zinc/47/22/98/388472298.db2.gz DLYGKSUTUVGDDH-ZDUSSCGKSA-N 1 0 219.332 2.274 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000172269431 388408984 /nfs/dbraw/zinc/40/89/84/388408984.db2.gz FSQJXUJNTFNYLC-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000172269433 388409072 /nfs/dbraw/zinc/40/90/72/388409072.db2.gz FSQJXUJNTFNYLC-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO CSC1(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000193657598 388411411 /nfs/dbraw/zinc/41/14/11/388411411.db2.gz BHRMQKBKMKXTLS-UHFFFAOYSA-N 1 0 222.313 2.136 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271920710 388412310 /nfs/dbraw/zinc/41/23/10/388412310.db2.gz DSFHAPASXDZEOQ-GHMZBOCLSA-N 1 0 249.333 2.298 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000328408761 388414243 /nfs/dbraw/zinc/41/42/43/388414243.db2.gz GCMUUTZUNQTUEN-GFCCVEGCSA-N 1 0 244.338 2.117 20 30 BEEDRO COC1(C)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000272368377 388415709 /nfs/dbraw/zinc/41/57/09/388415709.db2.gz PANFUQIMSILEPV-UHFFFAOYSA-N 1 0 234.299 2.152 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000069520255 388418419 /nfs/dbraw/zinc/41/84/19/388418419.db2.gz YBHPOVOHOSULGS-GFCCVEGCSA-N 1 0 229.279 2.185 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)C[C@@H](C)O)ccc1C#N ZINC000443992406 388422310 /nfs/dbraw/zinc/42/23/10/388422310.db2.gz XFPHBIVOICINBF-NWDGAFQWSA-N 1 0 232.327 2.116 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443991667 388422383 /nfs/dbraw/zinc/42/23/83/388422383.db2.gz WQJJDNFDDWTOOF-LBPRGKRZSA-N 1 0 232.327 2.381 20 30 BEEDRO C=CC(C)(C)C[NH2+]CCC(=O)Nc1cccnc1 ZINC000573199855 388431968 /nfs/dbraw/zinc/43/19/68/388431968.db2.gz JFQKXGIUIIKVQZ-UHFFFAOYSA-N 1 0 247.342 2.212 20 30 BEEDRO C=CCCCC[NH2+]C1(CC(=O)OC)CCC1 ZINC000517221314 256819676 /nfs/dbraw/zinc/81/96/76/256819676.db2.gz QZKXXCWBDIGUQM-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO Cc1cc(C[NH2+]CC2=CCOCC2)ccc1C#N ZINC000449403739 256782431 /nfs/dbraw/zinc/78/24/31/256782431.db2.gz RJGGSDODQYVOSD-UHFFFAOYSA-N 1 0 242.322 2.303 20 30 BEEDRO C=C[C@@H](CC(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000649273238 388483845 /nfs/dbraw/zinc/48/38/45/388483845.db2.gz ZACAJNGVJBTULW-ZDUSSCGKSA-N 1 0 246.354 2.154 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343553266 388501129 /nfs/dbraw/zinc/50/11/29/388501129.db2.gz PQOYLFZYZRTKCI-OAHLLOKOSA-N 1 0 244.338 2.221 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000178512875 388501548 /nfs/dbraw/zinc/50/15/48/388501548.db2.gz BWLFMPYDXQEHTN-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528524885 388501818 /nfs/dbraw/zinc/50/18/18/388501818.db2.gz LTOPWXQTHIFEOS-VXGBXAGGSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]CC(C)(C)CCC#N)O1 ZINC000398158009 388516986 /nfs/dbraw/zinc/51/69/86/388516986.db2.gz JKVLNUVGOMELHL-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1CCC ZINC000548159462 388518824 /nfs/dbraw/zinc/51/88/24/388518824.db2.gz DCBSYJGXLOWACA-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(C)s1 ZINC000649283006 388525707 /nfs/dbraw/zinc/52/57/07/388525707.db2.gz CEYBQVYYNFLJHD-LBPRGKRZSA-N 1 0 225.357 2.425 20 30 BEEDRO C=CCOCCC[NH+]1CCC(OC(C)C)CC1 ZINC000548423948 388535752 /nfs/dbraw/zinc/53/57/52/388535752.db2.gz DZSSZDXDIQQXBS-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000185667748 388590149 /nfs/dbraw/zinc/59/01/49/388590149.db2.gz GQFOOKXLENYVOO-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H](Nc1ccc(C#N)cn1)C1=CC[N@H+](C)CC1 ZINC000273054937 388590916 /nfs/dbraw/zinc/59/09/16/388590916.db2.gz XWFAXLYRSSVLPQ-LLVKDONJSA-N 1 0 242.326 2.016 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[N@@H+](CC)CCC ZINC000185753009 388591027 /nfs/dbraw/zinc/59/10/27/388591027.db2.gz GEHYZCGWEMVOAG-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+][C@H](C)C1CCN(C(=O)OCC)CC1 ZINC000186410012 388600216 /nfs/dbraw/zinc/60/02/16/388600216.db2.gz GMPMFOUVOZETFY-LLVKDONJSA-N 1 0 240.347 2.019 20 30 BEEDRO C[C@@H](O)CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000354872275 388601760 /nfs/dbraw/zinc/60/17/60/388601760.db2.gz POONOTQPWFYPHN-GFCCVEGCSA-N 1 0 232.327 2.151 20 30 BEEDRO CCC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000296647889 388601870 /nfs/dbraw/zinc/60/18/70/388601870.db2.gz XDXBHIGNCRXQLR-CQSZACIVSA-N 1 0 232.327 2.151 20 30 BEEDRO CCC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000296647878 388601909 /nfs/dbraw/zinc/60/19/09/388601909.db2.gz XDXBHIGNCRXQLR-AWEZNQCLSA-N 1 0 232.327 2.151 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](CC)CC1 ZINC000649315981 388604794 /nfs/dbraw/zinc/60/47/94/388604794.db2.gz HWTKSYQNXPKLFG-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000550345405 388606851 /nfs/dbraw/zinc/60/68/51/388606851.db2.gz ZHFRZBGYRMZCRE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@H+](CCNc1ncccc1C#N)C(C)C ZINC000301202911 388609753 /nfs/dbraw/zinc/60/97/53/388609753.db2.gz XINDQEJAJLPSGD-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@@H](Nc1ccc(C#N)cn1)C(C)(C)C[NH+](C)C ZINC000301354958 388611023 /nfs/dbraw/zinc/61/10/23/388611023.db2.gz OARZYGCWNSVLTB-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO CC[N@H+](CCNc1ccc(C#N)nc1)C(C)C ZINC000357268792 388613405 /nfs/dbraw/zinc/61/34/05/388613405.db2.gz YUJLCVGLLGHUNF-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000130698062 388566226 /nfs/dbraw/zinc/56/62/26/388566226.db2.gz RPCUGXWTKZQMPD-MFKMUULPSA-N 1 0 248.301 2.212 20 30 BEEDRO CSC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000130700322 388566923 /nfs/dbraw/zinc/56/69/23/388566923.db2.gz WFOMDWLLJMWJET-JTQLQIEISA-N 1 0 220.341 2.399 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528791801 388573940 /nfs/dbraw/zinc/57/39/40/388573940.db2.gz GQZUQXWGCIIISM-GFCCVEGCSA-N 1 0 233.315 2.285 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000387442382 388581615 /nfs/dbraw/zinc/58/16/15/388581615.db2.gz PSAKXLGUERTYJB-YNEHKIRRSA-N 1 0 210.365 2.271 20 30 BEEDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000519679191 388665799 /nfs/dbraw/zinc/66/57/99/388665799.db2.gz HZEBMOABOQYSKF-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C[NH+](C)C1(CNc2ccc(C#N)cn2)CCCC1 ZINC000076684959 388668386 /nfs/dbraw/zinc/66/83/86/388668386.db2.gz VVPIJAVEHXLFOU-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C#N)c(C)n1 ZINC000311195949 388673204 /nfs/dbraw/zinc/67/32/04/388673204.db2.gz IBIOZROWFFGRDQ-LLVKDONJSA-N 1 0 246.358 2.404 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192221634 388676157 /nfs/dbraw/zinc/67/61/57/388676157.db2.gz OIDVQXGEMUXOID-UHFFFAOYSA-N 1 0 239.322 2.246 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000125790740 388676865 /nfs/dbraw/zinc/67/68/65/388676865.db2.gz WLHZTKULHLOXEO-UHFFFAOYSA-N 1 0 239.290 2.214 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000113750709 388677497 /nfs/dbraw/zinc/67/74/97/388677497.db2.gz SIYFQYNYGSRAFR-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@@H]1CCOC1 ZINC000078436440 388680820 /nfs/dbraw/zinc/68/08/20/388680820.db2.gz XXUFJLSGBQWKRN-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000313159134 388681706 /nfs/dbraw/zinc/68/17/06/388681706.db2.gz OVSUSIOWDNNFEQ-ZIAGYGMSSA-N 1 0 232.327 2.197 20 30 BEEDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000368668661 388682349 /nfs/dbraw/zinc/68/23/49/388682349.db2.gz BYYCQTXGOQBHGV-GFCCVEGCSA-N 1 0 248.326 2.400 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404069585 388633489 /nfs/dbraw/zinc/63/34/89/388633489.db2.gz LBLBBUQPNAPQDJ-OLZOCXBDSA-N 1 0 248.301 2.354 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000404282231 388633771 /nfs/dbraw/zinc/63/37/71/388633771.db2.gz SKQIOTSVWHDJDR-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cnc3n2CCCC3)C1 ZINC000551571077 388634720 /nfs/dbraw/zinc/63/47/20/388634720.db2.gz QAUMJUXXVWMAGY-NEPJUHHUSA-N 1 0 244.342 2.001 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000230151859 388634811 /nfs/dbraw/zinc/63/48/11/388634811.db2.gz JTYMWNOFPWYUFW-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC000230316301 388636469 /nfs/dbraw/zinc/63/64/69/388636469.db2.gz DCWPKUIIWWDLSW-CABCVRRESA-N 1 0 242.322 2.215 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CC(F)(F)F)C1CCCC1 ZINC000189543677 388637031 /nfs/dbraw/zinc/63/70/31/388637031.db2.gz SRWCNNDVQNSUKN-LLVKDONJSA-N 1 0 249.276 2.178 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405106646 388637858 /nfs/dbraw/zinc/63/78/58/388637858.db2.gz YYEGJTQAKOLYPQ-WDEREUQCSA-N 1 0 224.373 2.411 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189942622 388644897 /nfs/dbraw/zinc/64/48/97/388644897.db2.gz UXVPJDOSARMOKR-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC#CCC[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000190347802 388649348 /nfs/dbraw/zinc/64/93/48/388649348.db2.gz KFPNYORQTCTNTK-CYBMUJFWSA-N 1 0 239.359 2.454 20 30 BEEDRO Cc1cc(CN(C)CCC[NH+](C)C)ccc1C#N ZINC000515556496 388649676 /nfs/dbraw/zinc/64/96/76/388649676.db2.gz JVHSROVJEADOBH-UHFFFAOYSA-N 1 0 245.370 2.250 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C[C@H](C)C1 ZINC000246791488 388651364 /nfs/dbraw/zinc/65/13/64/388651364.db2.gz SFPVWYURNSDEAZ-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C[NH+](C)CC(C)(C)NCc1cc(C#N)ccc1F ZINC000308638669 388660880 /nfs/dbraw/zinc/66/08/80/388660880.db2.gz WOWBEZXVPBOVME-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO N#Cc1csc(C[NH2+]CCC2(F)CCC2)n1 ZINC000309549863 388663801 /nfs/dbraw/zinc/66/38/01/388663801.db2.gz FMDRQZMZNSGJGH-UHFFFAOYSA-N 1 0 239.319 2.387 20 30 BEEDRO Cc1cc(C[N@@H+](C)CC2(CO)CC2)ccc1C#N ZINC000488982325 388663873 /nfs/dbraw/zinc/66/38/73/388663873.db2.gz LLBJESCAVPGBJR-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H](C)O1 ZINC000414517037 388664268 /nfs/dbraw/zinc/66/42/68/388664268.db2.gz QBGHDCGLXSVAQX-JMSVASOKSA-N 1 0 244.338 2.461 20 30 BEEDRO COCC[C@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000414486279 388664379 /nfs/dbraw/zinc/66/43/79/388664379.db2.gz SWSZYDNCEDPCTI-JTQLQIEISA-N 1 0 238.356 2.382 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000092393855 388734366 /nfs/dbraw/zinc/73/43/66/388734366.db2.gz YZRATKZZDQAJQV-BXUZGUMPSA-N 1 0 232.327 2.226 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000447575645 388736471 /nfs/dbraw/zinc/73/64/71/388736471.db2.gz UGCAINIRELOSMU-ZIAGYGMSSA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)[N@@H+](Cc1cc(C#N)cs1)C[C@@H](C)O ZINC000093145443 388740140 /nfs/dbraw/zinc/74/01/40/388740140.db2.gz VXLZHYWIJQGQDF-SNVBAGLBSA-N 1 0 238.356 2.211 20 30 BEEDRO C=C(CC)C[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000539104769 388747722 /nfs/dbraw/zinc/74/77/22/388747722.db2.gz XGQXGODIDPMFLI-UHFFFAOYSA-N 1 0 241.375 2.205 20 30 BEEDRO C[N@H+](Cc1cc(C#N)cs1)CC(C)(C)CO ZINC000449428317 388749719 /nfs/dbraw/zinc/74/97/19/388749719.db2.gz UBSDPOASKYFCSO-UHFFFAOYSA-N 1 0 238.356 2.070 20 30 BEEDRO C[NH+](C)CC(C)(C)CNCc1ccc(C#N)cc1 ZINC000019905803 388751258 /nfs/dbraw/zinc/75/12/58/388751258.db2.gz ZXBCTWFRQYANMX-UHFFFAOYSA-N 1 0 245.370 2.236 20 30 BEEDRO C[NH+]1CCC(CNc2cccc(F)c2C#N)CC1 ZINC000054240726 388752848 /nfs/dbraw/zinc/75/28/48/388752848.db2.gz PKXRHIOTVCLASW-UHFFFAOYSA-N 1 0 247.317 2.451 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000423275757 388689596 /nfs/dbraw/zinc/68/95/96/388689596.db2.gz NIMFLVSYCGJRDJ-IUODEOHRSA-N 1 0 245.370 2.454 20 30 BEEDRO C[C@H](N[C@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266746 388689670 /nfs/dbraw/zinc/68/96/70/388689670.db2.gz CFXHVSIQBYBWSR-LKFCYVNXSA-N 1 0 247.317 2.085 20 30 BEEDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1 ZINC000423269807 388689700 /nfs/dbraw/zinc/68/97/00/388689700.db2.gz HQAFCOGSSFCGTR-SMDDNHRTSA-N 1 0 231.343 2.192 20 30 BEEDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229795 388690086 /nfs/dbraw/zinc/69/00/86/388690086.db2.gz CBIHEXMQMNUJTK-GXFFZTMASA-N 1 0 247.317 2.100 20 30 BEEDRO CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244047 388690207 /nfs/dbraw/zinc/69/02/07/388690207.db2.gz XDIYELUUCCUARQ-GJZGRUSLSA-N 1 0 243.354 2.351 20 30 BEEDRO CC[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423275615 388690368 /nfs/dbraw/zinc/69/03/68/388690368.db2.gz LZHOOPPJRCKJOC-GJZGRUSLSA-N 1 0 243.354 2.336 20 30 BEEDRO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280217 388690422 /nfs/dbraw/zinc/69/04/22/388690422.db2.gz SMHWFXZHIRKBGJ-OTYXRUKQSA-N 1 0 247.317 2.085 20 30 BEEDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322123 388690736 /nfs/dbraw/zinc/69/07/36/388690736.db2.gz NPHHMVBAPYTKAF-XPTSAGLGSA-N 1 0 247.317 2.085 20 30 BEEDRO CC[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313905 388691580 /nfs/dbraw/zinc/69/15/80/388691580.db2.gz GIPMZPXURCWUOY-GJZGRUSLSA-N 1 0 243.354 2.336 20 30 BEEDRO CCC[NH2+]CCN[C@H]1CCc2ccc(C#N)cc21 ZINC000423314220 388691792 /nfs/dbraw/zinc/69/17/92/388691792.db2.gz VOCAAVIWCCRYEZ-HNNXBMFYSA-N 1 0 243.354 2.135 20 30 BEEDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423453511 388692494 /nfs/dbraw/zinc/69/24/94/388692494.db2.gz XTDZLZOBXXXNOI-UTLUCORTSA-N 1 0 235.306 2.084 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000423455844 388692661 /nfs/dbraw/zinc/69/26/61/388692661.db2.gz DAHVGSQIZJGWEA-KGLIPLIRSA-N 1 0 231.343 2.336 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000248862969 388696638 /nfs/dbraw/zinc/69/66/38/388696638.db2.gz MPJCXNVJIHLDRA-QJPTWQEYSA-N 1 0 211.349 2.338 20 30 BEEDRO N#Cc1ccc(OCC[NH2+]CC2(F)CC2)cc1 ZINC000526981971 388696832 /nfs/dbraw/zinc/69/68/32/388696832.db2.gz NDYBJEQFEHBFDE-UHFFFAOYSA-N 1 0 234.274 2.029 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)cnn1C ZINC000248887186 388697922 /nfs/dbraw/zinc/69/79/22/388697922.db2.gz MMAMCVNGSCIKLX-UHTWSYAYSA-N 1 0 246.358 2.462 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000527741052 388700184 /nfs/dbraw/zinc/70/01/84/388700184.db2.gz XEFWSWDAJCHRHQ-OAHLLOKOSA-N 1 0 244.338 2.465 20 30 BEEDRO Cc1cc(C[NH2+]CC23CC(C2)CO3)ccc1C#N ZINC000527787476 388700570 /nfs/dbraw/zinc/70/05/70/388700570.db2.gz DAYQBOOVOUPSDL-UHFFFAOYSA-N 1 0 242.322 2.135 20 30 BEEDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000527802383 388700700 /nfs/dbraw/zinc/70/07/00/388700700.db2.gz OPYAZLVBFQXVSL-OLZOCXBDSA-N 1 0 234.299 2.197 20 30 BEEDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1cccc(C#N)c1 ZINC000527767283 388701295 /nfs/dbraw/zinc/70/12/95/388701295.db2.gz UCOSDCSOFOOBNG-DZGCQCFKSA-N 1 0 242.322 2.215 20 30 BEEDRO CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528784459 388708080 /nfs/dbraw/zinc/70/80/80/388708080.db2.gz TVZSNOQGKKRVML-UHFFFAOYSA-N 1 0 230.311 2.173 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(C#N)cc1 ZINC000315735535 388708858 /nfs/dbraw/zinc/70/88/58/388708858.db2.gz KWRZQMSHNVEWNT-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000081063621 388717423 /nfs/dbraw/zinc/71/74/23/388717423.db2.gz HOVWZXUDQJIMHA-AWEZNQCLSA-N 1 0 230.311 2.027 20 30 BEEDRO C#CC[NH+]1CCC(OCCC(C)C)CC1 ZINC000193861313 388718592 /nfs/dbraw/zinc/71/85/92/388718592.db2.gz DEKDQNLMRCFCJX-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1OC ZINC000229507609 388791857 /nfs/dbraw/zinc/79/18/57/388791857.db2.gz MIHQDFJFDKVERD-LBPRGKRZSA-N 1 0 203.285 2.197 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccccc1OC ZINC000229507617 388792273 /nfs/dbraw/zinc/79/22/73/388792273.db2.gz MIHQDFJFDKVERD-GFCCVEGCSA-N 1 0 203.285 2.197 20 30 BEEDRO C[C@H](O)CC[N@H+](C)CCCC(C)(C)C#N ZINC000128809525 388795999 /nfs/dbraw/zinc/79/59/99/388795999.db2.gz IYOXTXNRFAXREY-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccn(CCC)c1 ZINC000229888275 388803871 /nfs/dbraw/zinc/80/38/71/388803871.db2.gz GSSNYXDDUUICNL-CYBMUJFWSA-N 1 0 204.317 2.400 20 30 BEEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000280436179 388781086 /nfs/dbraw/zinc/78/10/86/388781086.db2.gz JYKWQIHKOZSQMY-NWDGAFQWSA-N 1 0 248.326 2.277 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H]1CCCC12CCOCC2 ZINC001645493219 1172674877 /nfs/dbraw/zinc/67/48/77/1172674877.db2.gz JKXAOPLPOOIEDE-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H](C#N)CCC#N)C1(C)C ZINC000553813338 388791381 /nfs/dbraw/zinc/79/13/81/388791381.db2.gz AJVAWDHTHRAOAV-MROQNXINSA-N 1 0 249.358 2.079 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](CCCCC#N)C1 ZINC000230265323 388821847 /nfs/dbraw/zinc/82/18/47/388821847.db2.gz ZKTUVGOVJOHVOU-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(C#N)o2)C1 ZINC000334831609 388825770 /nfs/dbraw/zinc/82/57/70/388825770.db2.gz IKEOONBXCHVVQX-UWVGGRQHSA-N 1 0 204.273 2.382 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC(=O)Nc1ccccn1 ZINC000541768758 388867305 /nfs/dbraw/zinc/86/73/05/388867305.db2.gz NTWKBMHSCQWQRF-LBPRGKRZSA-N 1 0 247.342 2.355 20 30 BEEDRO Cn1ccnc1[C@@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000565650687 388960468 /nfs/dbraw/zinc/96/04/68/388960468.db2.gz HTJAKNPWWVCWQU-LBPRGKRZSA-N 1 0 244.342 2.155 20 30 BEEDRO N#CCC[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000565476965 388947110 /nfs/dbraw/zinc/94/71/10/388947110.db2.gz UJUIPWMKOQDLHZ-UHFFFAOYSA-N 1 0 231.274 2.353 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000565840874 388972842 /nfs/dbraw/zinc/97/28/42/388972842.db2.gz RWAUXFIJOPQKLJ-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO Cc1c[nH+]ccc1NCCc1cccc(C#N)c1 ZINC000359931340 177649393 /nfs/dbraw/zinc/64/93/93/177649393.db2.gz YHMPXLXFZTZYEU-UHFFFAOYSA-N 1 0 237.306 2.338 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000272554750 389032966 /nfs/dbraw/zinc/03/29/66/389032966.db2.gz RJUDCBAZQZQSNE-SNVBAGLBSA-N 1 0 245.750 2.450 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001172494383 974844728 /nfs/dbraw/zinc/84/47/28/974844728.db2.gz TVQMTBQCYLNGTP-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CC2(C1)CCCCO2 ZINC001172495491 974844732 /nfs/dbraw/zinc/84/47/32/974844732.db2.gz FILHKDNYIBSNQY-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC001172494381 974845074 /nfs/dbraw/zinc/84/50/74/974845074.db2.gz TVQMTBQCYLNGTP-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000123108937 533233985 /nfs/dbraw/zinc/23/39/85/533233985.db2.gz HGEGJVWRPAUUIR-LRVUVFPRSA-N 1 0 224.307 2.222 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000368050890 533235049 /nfs/dbraw/zinc/23/50/49/533235049.db2.gz INUZVQVFQVQFIN-SNVBAGLBSA-N 1 0 243.285 2.327 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1CCC=CO1)C(C)(C)C ZINC000290245860 533267026 /nfs/dbraw/zinc/26/70/26/533267026.db2.gz VDCYIJOLSXMOMA-NWDGAFQWSA-N 1 0 207.317 2.317 20 30 BEEDRO C#C[C@H](NC(=[NH2+])Nc1ccc(OC)cc1)C(C)C ZINC000262116484 533277554 /nfs/dbraw/zinc/27/75/54/533277554.db2.gz JEZRDYHSUNWFOG-ZDUSSCGKSA-N 1 0 245.326 2.080 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CCn1cccn1)C(C)(C)C ZINC000290114896 533269381 /nfs/dbraw/zinc/26/93/81/533269381.db2.gz ILPMGDNPJYDKHW-CHWSQXEVSA-N 1 0 233.359 2.299 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000123109862 533298051 /nfs/dbraw/zinc/29/80/51/533298051.db2.gz AGAQVAQONRAROP-SMDDNHRTSA-N 1 0 229.323 2.164 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000123099038 533298501 /nfs/dbraw/zinc/29/85/01/533298501.db2.gz IXUDPUSSFHAJHQ-NWDGAFQWSA-N 1 0 245.322 2.348 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1cccc(C)c1 ZINC000262471218 533298713 /nfs/dbraw/zinc/29/87/13/533298713.db2.gz CBJJVAZNEBTKTD-LLVKDONJSA-N 1 0 215.300 2.133 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCn1cccn1)C(C)(C)C ZINC000290114915 533336345 /nfs/dbraw/zinc/33/63/45/533336345.db2.gz ILPMGDNPJYDKHW-STQMWFEESA-N 1 0 233.359 2.299 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001645907167 1172698329 /nfs/dbraw/zinc/69/83/29/1172698329.db2.gz WIPOLSRLXQCMMV-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@H](C)OC)cc1 ZINC000289223246 533341536 /nfs/dbraw/zinc/34/15/36/533341536.db2.gz JNWRKFPYSKPHOD-LBPRGKRZSA-N 1 0 217.312 2.183 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N1CCCC[C@@H]1CC ZINC000181290036 533494214 /nfs/dbraw/zinc/49/42/14/533494214.db2.gz KZDCVVQXMKCPKT-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000177895633 533500472 /nfs/dbraw/zinc/50/04/72/533500472.db2.gz SAJFUYHZHMODIS-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC1(C)C ZINC000263039320 533510875 /nfs/dbraw/zinc/51/08/75/533510875.db2.gz CDXVINATVRMNDI-NSHDSACASA-N 1 0 223.364 2.293 20 30 BEEDRO C=C(C)COc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000297363205 533520147 /nfs/dbraw/zinc/52/01/47/533520147.db2.gz KSXHVWYJMKZVDJ-UHFFFAOYSA-N 1 0 248.326 2.317 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358687509 533535190 /nfs/dbraw/zinc/53/51/90/533535190.db2.gz UDWKUZUHAYKGGD-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCSC1 ZINC000336766821 533541824 /nfs/dbraw/zinc/54/18/24/533541824.db2.gz SLKZJJCUAVYBPZ-WOPDTQHZSA-N 1 0 227.373 2.063 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)COC(C)C ZINC000337241494 533541989 /nfs/dbraw/zinc/54/19/89/533541989.db2.gz FQIWEUOAKAZIBX-MJBXVCDLSA-N 1 0 241.375 2.371 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)C[C@H](C)[NH2+]1 ZINC000061845593 1172707940 /nfs/dbraw/zinc/70/79/40/1172707940.db2.gz FXENLVQWIGVWIH-AOOOYVTPSA-N 1 0 249.745 2.398 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2)[C@H](C)C1 ZINC000286221154 132214359 /nfs/dbraw/zinc/21/43/59/132214359.db2.gz CZEOVILUYRWIKO-GFCCVEGCSA-N 1 0 229.327 2.089 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000070175177 132230315 /nfs/dbraw/zinc/23/03/15/132230315.db2.gz JGFVRBRCGORIDL-JQWIXIFHSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@@H]1CN(c2ccc(Cl)cc2C#N)CC[C@@H]1[NH3+] ZINC000094342410 132239068 /nfs/dbraw/zinc/23/90/68/132239068.db2.gz BWXNGWWLJOAHQQ-SKDRFNHKSA-N 1 0 249.745 2.385 20 30 BEEDRO N#Cc1ccc(Cl)cc1N1CCC([NH3+])CC1 ZINC000062785723 132241145 /nfs/dbraw/zinc/24/11/45/132241145.db2.gz MYDCYHGJTXWRSC-UHFFFAOYSA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C#N)cc1 ZINC000336520730 132248373 /nfs/dbraw/zinc/24/83/73/132248373.db2.gz JYLGGJJHJCIYDP-RYUDHWBXSA-N 1 0 229.327 2.087 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000275108945 132306056 /nfs/dbraw/zinc/30/60/56/132306056.db2.gz BZXVFYSENGRHLR-UHFFFAOYSA-N 1 0 244.338 2.213 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000057838864 132366846 /nfs/dbraw/zinc/36/68/46/132366846.db2.gz DHTFXKCOLCULTF-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000219917695 133523605 /nfs/dbraw/zinc/52/36/05/133523605.db2.gz QSBRSYARFFNHDT-MWLCHTKSSA-N 1 0 236.340 2.277 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCOC(C)C)c1 ZINC000273467587 133545592 /nfs/dbraw/zinc/54/55/92/133545592.db2.gz IPPMWGRPBKZQOV-UHFFFAOYSA-N 1 0 249.358 2.401 20 30 BEEDRO CCn1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)cn1 ZINC000278833005 133553816 /nfs/dbraw/zinc/55/38/16/133553816.db2.gz UEYYQYUKEKSGLP-AAEUAGOBSA-N 1 0 232.331 2.075 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1ccncc1 ZINC000083853788 133561819 /nfs/dbraw/zinc/56/18/19/133561819.db2.gz TZAASIVATXHMDP-LLVKDONJSA-N 1 0 215.300 2.426 20 30 BEEDRO CNC(NCc1ccc2sccc2c1)=[NH+]C ZINC000290740291 133571798 /nfs/dbraw/zinc/57/17/98/133571798.db2.gz XAUKXPRGNDCEFG-UHFFFAOYSA-N 1 0 233.340 2.196 20 30 BEEDRO Cc1cc(C[NH+]2CC(C)C2)ccc1C#N ZINC000334293323 133614452 /nfs/dbraw/zinc/61/44/52/133614452.db2.gz PVUAPPXMKPWWJS-UHFFFAOYSA-N 1 0 200.285 2.318 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001172498125 974848921 /nfs/dbraw/zinc/84/89/21/974848921.db2.gz IYTPLBZPQVIOGG-KKOKHZNYSA-N 1 0 210.296 2.216 20 30 BEEDRO CCC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000349799264 133913162 /nfs/dbraw/zinc/91/31/62/133913162.db2.gz HNJYPBQAYUXKLJ-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000331529612 134000647 /nfs/dbraw/zinc/00/06/47/134000647.db2.gz QTPCBTKUXRQXFW-KGYLQXTDSA-N 1 0 242.322 2.141 20 30 BEEDRO C[N@@H+]1CCCC12CCN([C@H]1CC[C@@H](C#N)C1)CC2 ZINC000335967935 134028902 /nfs/dbraw/zinc/02/89/02/134028902.db2.gz OPYUJLGSPUJDES-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO C=C1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1 ZINC000335973909 134030432 /nfs/dbraw/zinc/03/04/32/134030432.db2.gz KGLPGAZDJVWURK-UHFFFAOYSA-N 1 0 244.338 2.198 20 30 BEEDRO C=C(C)CC[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000352014137 134035636 /nfs/dbraw/zinc/03/56/36/134035636.db2.gz LURWXDRLWNBZNZ-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(C)CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000352050828 134046416 /nfs/dbraw/zinc/04/64/16/134046416.db2.gz VOCXFFCREBAKPP-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(CC2(C#N)CCC2)C[C@H]1C ZINC000336197252 134127039 /nfs/dbraw/zinc/12/70/39/134127039.db2.gz LQURJNJZIWQSIW-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC1(C#N)CCC1 ZINC000336201584 134130918 /nfs/dbraw/zinc/13/09/18/134130918.db2.gz ZGDBBJIMTSFCRT-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000352405295 134143983 /nfs/dbraw/zinc/14/39/83/134143983.db2.gz HBFAUXPYQAIPCJ-YPMHNXCESA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](C)O[C@@H](C2CC2)C1 ZINC000352405294 134144037 /nfs/dbraw/zinc/14/40/37/134144037.db2.gz HBFAUXPYQAIPCJ-WCQYABFASA-N 1 0 209.333 2.452 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000352472747 134146196 /nfs/dbraw/zinc/14/61/96/134146196.db2.gz JMUCCJBMCLRHKM-UKRRQHHQSA-N 1 0 233.355 2.392 20 30 BEEDRO CC1(C)CC[C@H](C[NH+]2CCC(F)(C#N)CC2)O1 ZINC000352468307 134146341 /nfs/dbraw/zinc/14/63/41/134146341.db2.gz QQNATWAFAGQGSB-LLVKDONJSA-N 1 0 240.322 2.272 20 30 BEEDRO CCc1ccc(C[NH2+]CC2(CC#N)CC2)cn1 ZINC000352707648 134151242 /nfs/dbraw/zinc/15/12/42/134151242.db2.gz UJHQJRIFNDUXDQ-UHFFFAOYSA-N 1 0 229.327 2.427 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(CC)nc1 ZINC000352759249 134151675 /nfs/dbraw/zinc/15/16/75/134151675.db2.gz JUQLSTPZVAQZDS-UHFFFAOYSA-N 1 0 234.343 2.326 20 30 BEEDRO C=C1CCN(Cc2ccnc(OC)c2)CC1 ZINC000336628999 134152510 /nfs/dbraw/zinc/15/25/10/134152510.db2.gz CANGYUKQQGYLHZ-UHFFFAOYSA-N 1 0 218.300 2.242 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnn(CC(F)F)c1 ZINC000352816024 134152605 /nfs/dbraw/zinc/15/26/05/134152605.db2.gz NUSYZBBGRPRYEJ-UHFFFAOYSA-N 1 0 229.274 2.156 20 30 BEEDRO C[C@@H]1CN(CC#Cc2ccccc2)C[C@H](C)[N@H+]1C ZINC000334152503 134154674 /nfs/dbraw/zinc/15/46/74/134154674.db2.gz XBVVQOPJWNLCLX-GASCZTMLSA-N 1 0 242.366 2.063 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000352855452 134154869 /nfs/dbraw/zinc/15/48/69/134154869.db2.gz XYAXNMHZAXMZJI-UHFFFAOYSA-N 1 0 235.283 2.090 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cccc(C#N)n2)CC1 ZINC000301400691 134156593 /nfs/dbraw/zinc/15/65/93/134156593.db2.gz PZRAOVMNLGVOEN-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352889330 134157273 /nfs/dbraw/zinc/15/72/73/134157273.db2.gz YBEJHJJFSROCDR-SLEUVZQESA-N 1 0 229.389 2.184 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000352995477 134158962 /nfs/dbraw/zinc/15/89/62/134158962.db2.gz BSMLNHCPPGCEPO-NEPJUHHUSA-N 1 0 211.349 2.291 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](C)CCOC)cc1 ZINC000113332161 134161321 /nfs/dbraw/zinc/16/13/21/134161321.db2.gz HDELXWXARVEQLA-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCCC#N)C1 ZINC000353321970 134163087 /nfs/dbraw/zinc/16/30/87/134163087.db2.gz SCRQOJLLZXDXQG-HIFRSBDPSA-N 1 0 243.354 2.325 20 30 BEEDRO CCCN(CC)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000353482752 134163986 /nfs/dbraw/zinc/16/39/86/134163986.db2.gz MSMDZAXQPCJCRU-BFHYXJOUSA-N 1 0 237.391 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C=CCOCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000339081946 135056590 /nfs/dbraw/zinc/05/65/90/135056590.db2.gz OPIXFHLYZWBSGW-AWEZNQCLSA-N 1 0 232.327 2.325 20 30 BEEDRO C[C@H]1CC[N@H+](CCOCCC#N)CC1(C)C ZINC000339088444 135056717 /nfs/dbraw/zinc/05/67/17/135056717.db2.gz PCNBFCHNAFPYDY-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](CCOCCC#N)[C@H]2CCCC[C@@H]12 ZINC000339081506 135056790 /nfs/dbraw/zinc/05/67/90/135056790.db2.gz IQKXOQGNSBWPEH-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000339081947 135056840 /nfs/dbraw/zinc/05/68/40/135056840.db2.gz OPIXFHLYZWBSGW-CQSZACIVSA-N 1 0 232.327 2.325 20 30 BEEDRO CCCC[N@H+](CCCO)[C@H]1CC[C@H](C#N)C1 ZINC000339076234 135057089 /nfs/dbraw/zinc/05/70/89/135057089.db2.gz YOQLKUUNOBKNIA-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H]1C[N@H+](CCOCCC#N)[C@@H]2CCCC[C@@H]21 ZINC000339081505 135057389 /nfs/dbraw/zinc/05/73/89/135057389.db2.gz IQKXOQGNSBWPEH-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000339124521 135059718 /nfs/dbraw/zinc/05/97/18/135059718.db2.gz MLEXPZCUADPECX-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO CC(C)(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000339137202 135060924 /nfs/dbraw/zinc/06/09/24/135060924.db2.gz AEKAGHNXTIQSLW-XQQFMLRXSA-N 1 0 236.359 2.426 20 30 BEEDRO N#CCCOCC[N@@H+]1CCCC2(CCC2)C1 ZINC000339141410 135060982 /nfs/dbraw/zinc/06/09/82/135060982.db2.gz QDSIREQYPAIQHN-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO C[N@H+](CCOCCC#N)[C@H]1CCC(C)(C)C1 ZINC000339142952 135061426 /nfs/dbraw/zinc/06/14/26/135061426.db2.gz BASASNLXZFNLBT-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO N#CCCOCC[N@H+](CC1CC1)CC1CCC1 ZINC000339149032 135062513 /nfs/dbraw/zinc/06/25/13/135062513.db2.gz QUNGTQJTJUOJPK-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000339157586 135062623 /nfs/dbraw/zinc/06/26/23/135062623.db2.gz LGAYEYOAWSLREO-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000339196077 135065880 /nfs/dbraw/zinc/06/58/80/135065880.db2.gz SBWOKNWLBLJCEF-NSHDSACASA-N 1 0 245.326 2.416 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H](CSC)C1 ZINC000339217929 135065886 /nfs/dbraw/zinc/06/58/86/135065886.db2.gz GVMWHXAJCZLUSW-GFCCVEGCSA-N 1 0 229.389 2.264 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000339204424 135066238 /nfs/dbraw/zinc/06/62/38/135066238.db2.gz XASTYNJKQMAEFQ-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)ccn1 ZINC000339205417 135066401 /nfs/dbraw/zinc/06/64/01/135066401.db2.gz LUUYWLVBAJFPTO-GMXVVIOVSA-N 1 0 245.326 2.433 20 30 BEEDRO C[C@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000339228700 135067531 /nfs/dbraw/zinc/06/75/31/135067531.db2.gz AHTDYVWRDAJKSV-JSGCOSHPSA-N 1 0 232.327 2.392 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2c1OCCO2 ZINC000237816209 135072930 /nfs/dbraw/zinc/07/29/30/135072930.db2.gz OVTTZSLELDSYRT-UHFFFAOYSA-N 1 0 246.310 2.241 20 30 BEEDRO Cn1c2ccccc2nc1C[NH2+]CCCCC#N ZINC000237862810 135073353 /nfs/dbraw/zinc/07/33/53/135073353.db2.gz KTMPTHITTLHFKW-UHFFFAOYSA-N 1 0 242.326 2.357 20 30 BEEDRO C[C@H]([NH2+]CCOc1ccc(C#N)cc1)C1CC1 ZINC000163712061 135075387 /nfs/dbraw/zinc/07/53/87/135075387.db2.gz XMYHKVONZKYPKZ-NSHDSACASA-N 1 0 230.311 2.325 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339711514 135077161 /nfs/dbraw/zinc/07/71/61/135077161.db2.gz SDAOKBHMEFDBCT-CYBMUJFWSA-N 1 0 211.349 2.293 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339704853 135077587 /nfs/dbraw/zinc/07/75/87/135077587.db2.gz JJLPPYRAUCVMDO-CQSZACIVSA-N 1 0 223.360 2.130 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000308565631 135079602 /nfs/dbraw/zinc/07/96/02/135079602.db2.gz HNBGIAADQCTTOQ-MRVPVSSYSA-N 1 0 207.302 2.069 20 30 BEEDRO C=C(C)C[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339769961 135081229 /nfs/dbraw/zinc/08/12/29/135081229.db2.gz ABTYUPXYVIPQLF-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000339777169 135081889 /nfs/dbraw/zinc/08/18/89/135081889.db2.gz OXAMDYLCGHQKIV-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339818523 135083033 /nfs/dbraw/zinc/08/30/33/135083033.db2.gz CLTNGOUBRHJTBL-KGLIPLIRSA-N 1 0 241.375 2.060 20 30 BEEDRO C[NH+]=C(N[C@H](C)Cc1ccc(C)s1)N(C)C ZINC000261729765 135111594 /nfs/dbraw/zinc/11/15/94/135111594.db2.gz JHQJREHDYQKJLI-SECBINFHSA-N 1 0 239.388 2.125 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CC[S@](C)=O ZINC000252811715 135111738 /nfs/dbraw/zinc/11/17/38/135111738.db2.gz OXFOUMFLGFISHN-WDMOLILDSA-N 1 0 217.378 2.088 20 30 BEEDRO Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C)cc1C ZINC000261973855 135112902 /nfs/dbraw/zinc/11/29/02/135112902.db2.gz FDTJHYRFQBRQED-ZYHUDNBSSA-N 1 0 217.316 2.438 20 30 BEEDRO C=CCNC(NC[C@]1(C)CCCS1)=[NH+]CC ZINC000261933694 135113552 /nfs/dbraw/zinc/11/35/52/135113552.db2.gz BXDPDNGRCNKBDV-LBPRGKRZSA-N 1 0 241.404 2.013 20 30 BEEDRO C[C@H]1C[C@H]1NC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261999225 135114595 /nfs/dbraw/zinc/11/45/95/135114595.db2.gz OYLHQJGZICTFKL-TVQRCGJNSA-N 1 0 229.327 2.310 20 30 BEEDRO Cc1cc2cc(CNC(=[NH2+])NC3CC3)ccc2[nH]1 ZINC000262107367 135115736 /nfs/dbraw/zinc/11/57/36/135115736.db2.gz JXMHRKQUIFXSOE-UHFFFAOYSA-N 1 0 242.326 2.043 20 30 BEEDRO CCc1ccc(CNC(=[NH2+])N(C)C2CC2)s1 ZINC000262231462 135117160 /nfs/dbraw/zinc/11/71/60/135117160.db2.gz MIPHGNDQGAQWQA-UHFFFAOYSA-N 1 0 237.372 2.219 20 30 BEEDRO C[NH+]=C(NCc1sccc1C)N[C@@H]1C[C@@H]1C ZINC000262350596 135117729 /nfs/dbraw/zinc/11/77/29/135117729.db2.gz FCNBFWSFJSRUOO-VHSXEESVSA-N 1 0 237.372 2.130 20 30 BEEDRO C[NH+]=C(NC1CC1)N1CC[C@H](c2ccccc2)C1 ZINC000262474661 135118841 /nfs/dbraw/zinc/11/88/41/135118841.db2.gz PVNJBMALNYZFPA-ZDUSSCGKSA-N 1 0 243.354 2.214 20 30 BEEDRO CCc1ccc(CNC(NC(C)C)=[NH+]C)s1 ZINC000262571678 135119482 /nfs/dbraw/zinc/11/94/82/135119482.db2.gz NBSLGRUBRZVVAI-UHFFFAOYSA-N 1 0 239.388 2.384 20 30 BEEDRO Cc1ccc([C@H](C)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262636424 135120107 /nfs/dbraw/zinc/12/01/07/135120107.db2.gz GYRNZFIQSNIYTN-VXGBXAGGSA-N 1 0 231.343 2.036 20 30 BEEDRO C[C@@H]1C[NH+]=C(N[C@H]2C[C@H](c3cccc(F)c3)C2)N1 ZINC000262663343 135120705 /nfs/dbraw/zinc/12/07/05/135120705.db2.gz NQCAWNXESDNVPA-IRUJWGPZSA-N 1 0 247.317 2.009 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCCc3ccccc32)N1 ZINC000262642014 135120753 /nfs/dbraw/zinc/12/07/53/135120753.db2.gz IAJBRMPUCJYZSL-WCQYABFASA-N 1 0 243.354 2.044 20 30 BEEDRO C[C@H]1C[NH+]=C(N[C@H]2C[C@H](c3ccccc3F)C2)N1 ZINC000262673098 135121150 /nfs/dbraw/zinc/12/11/50/135121150.db2.gz SBEVKPPALDSIEX-DCAQKATOSA-N 1 0 247.317 2.009 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CC1)NC1CCCCCC1 ZINC000262765080 135121939 /nfs/dbraw/zinc/12/19/39/135121939.db2.gz GFNJORHKIDNIJQ-QWHCGFSZSA-N 1 0 235.375 2.412 20 30 BEEDRO CC[C@H]1CCCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263130401 135125213 /nfs/dbraw/zinc/12/52/13/135125213.db2.gz NBNGGVLOHKRRAX-RYUDHWBXSA-N 1 0 223.364 2.223 20 30 BEEDRO C[NH+]=C(N[C@H]1C[C@@H]1C)N1CCc2ccccc21 ZINC000263231742 135126035 /nfs/dbraw/zinc/12/60/35/135126035.db2.gz IHTXZDRSNLKPSX-JQWIXIFHSA-N 1 0 229.327 2.033 20 30 BEEDRO C[NH+](C)CCSc1ccccc1C#N ZINC000087416897 135130141 /nfs/dbraw/zinc/13/01/41/135130141.db2.gz AIQDIAOBBJPMOL-UHFFFAOYSA-N 1 0 206.314 2.212 20 30 BEEDRO CCOc1ccccc1CNC(=[NH2+])N[C@@H](C)CC ZINC000264056724 135130525 /nfs/dbraw/zinc/13/05/25/135130525.db2.gz BFBGKULTEBMVLP-NSHDSACASA-N 1 0 249.358 2.288 20 30 BEEDRO CCOCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000264070848 135130872 /nfs/dbraw/zinc/13/08/72/135130872.db2.gz GBYCDTMLDCATGZ-UHFFFAOYSA-N 1 0 249.358 2.457 20 30 BEEDRO CO[C@H](CNC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000264059067 135131056 /nfs/dbraw/zinc/13/10/56/135131056.db2.gz CEYVKMHMPGWNFR-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CC=CCC1 ZINC000264074460 135131784 /nfs/dbraw/zinc/13/17/84/135131784.db2.gz FEKMPMJNEUOUJU-QWRGUYRKSA-N 1 0 209.337 2.046 20 30 BEEDRO CNC(NC[C@@H](c1ccccc1)C(C)C)=[NH+]C ZINC000264085392 135132458 /nfs/dbraw/zinc/13/24/58/135132458.db2.gz JFDRBUIUNPRDQL-CYBMUJFWSA-N 1 0 233.359 2.221 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1ccc(O)cc1 ZINC000264085635 135132463 /nfs/dbraw/zinc/13/24/63/135132463.db2.gz JNPCBGAKJFGQAU-UHFFFAOYSA-N 1 0 249.358 2.377 20 30 BEEDRO CC(C)CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264093445 135132637 /nfs/dbraw/zinc/13/26/37/135132637.db2.gz LNQKUCVBHAFFPN-UHFFFAOYSA-N 1 0 245.370 2.279 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264100253 135133190 /nfs/dbraw/zinc/13/31/90/135133190.db2.gz MPCRGYRITNPIJD-LBPRGKRZSA-N 1 0 245.370 2.421 20 30 BEEDRO N#CCCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000265235366 135143172 /nfs/dbraw/zinc/14/31/72/135143172.db2.gz QDGZDXPJDJQEEO-HNNXBMFYSA-N 1 0 244.338 2.272 20 30 BEEDRO N#CCCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000265235367 135143292 /nfs/dbraw/zinc/14/32/92/135143292.db2.gz QDGZDXPJDJQEEO-OAHLLOKOSA-N 1 0 244.338 2.272 20 30 BEEDRO CC(C)[C@@H](CO)N(CCC#N)Cc1ccccc1 ZINC000266009847 135146722 /nfs/dbraw/zinc/14/67/22/135146722.db2.gz RNYMQZSGCAOVAK-OAHLLOKOSA-N 1 0 246.354 2.419 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@H](c2ccccc2)C1 ZINC000267141844 135151898 /nfs/dbraw/zinc/15/18/98/135151898.db2.gz KRDZVBQXDXDJMG-NPIURYIMSA-N 1 0 231.343 2.023 20 30 BEEDRO CC(C)(CNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000267439687 135154241 /nfs/dbraw/zinc/15/42/41/135154241.db2.gz OTNMZIXMRVGPHI-UHFFFAOYSA-N 1 0 245.370 2.322 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1cc(F)ccc1F ZINC000267443656 135154681 /nfs/dbraw/zinc/15/46/81/135154681.db2.gz POGVYFRSCYOYAR-QMMMGPOBSA-N 1 0 241.285 2.168 20 30 BEEDRO C=CCNC(=[NH2+])NC1CC(C)(c2ccccc2)C1 ZINC000267471493 135154707 /nfs/dbraw/zinc/15/47/07/135154707.db2.gz XWOXZBNAYRVDIO-UHFFFAOYSA-N 1 0 243.354 2.197 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCC(F)F)c1 ZINC000267603761 135155560 /nfs/dbraw/zinc/15/55/60/135155560.db2.gz FTWRPTYMIDKMSP-UHFFFAOYSA-N 1 0 227.258 2.241 20 30 BEEDRO CC(C)[N@@H+](Cc1ccccc1C#N)C[C@@H](C)O ZINC000353387189 135163028 /nfs/dbraw/zinc/16/30/28/135163028.db2.gz NPGYRBXPYRPAAT-GFCCVEGCSA-N 1 0 232.327 2.149 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](c1ccccc1)C1CC1 ZINC000292402639 135175593 /nfs/dbraw/zinc/17/55/93/135175593.db2.gz XLHBSXBDXIBUOC-CQSZACIVSA-N 1 0 245.370 2.495 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000293840920 135183953 /nfs/dbraw/zinc/18/39/53/135183953.db2.gz QNYCACOCILJWRO-ZIAGYGMSSA-N 1 0 246.358 2.206 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000293809243 135183972 /nfs/dbraw/zinc/18/39/72/135183972.db2.gz OBHZELZJRDCXCB-FRRDWIJNSA-N 1 0 244.342 2.281 20 30 BEEDRO C[C@@H](c1ccccn1)[N@H+](C)CCOCCC#N ZINC000293934436 135184342 /nfs/dbraw/zinc/18/43/42/135184342.db2.gz ZBSNLDHOEBUUJV-LBPRGKRZSA-N 1 0 233.315 2.005 20 30 BEEDRO Cc1nc(N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000261555657 135195639 /nfs/dbraw/zinc/19/56/39/135195639.db2.gz BPKYPJPQRGCNFL-DGCLKSJQSA-N 1 0 244.342 2.062 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+]([C@@H](C)CCC#N)C2)c1 ZINC000298052782 135197741 /nfs/dbraw/zinc/19/77/41/135197741.db2.gz FMBAWGXKWMNKTN-QWHCGFSZSA-N 1 0 232.331 2.131 20 30 BEEDRO C[C@@H](CCC#N)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000298463733 135198810 /nfs/dbraw/zinc/19/88/10/135198810.db2.gz IFNSSUVEDKYDKY-LBPRGKRZSA-N 1 0 244.342 2.201 20 30 BEEDRO C[C@@H]1[C@@H]([NH3+])CCN1c1ccc(Cl)cc1C#N ZINC000261564186 135206404 /nfs/dbraw/zinc/20/64/04/135206404.db2.gz CJFGPATYLGOAFQ-KCJUWKMLSA-N 1 0 235.718 2.138 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+]CC(C)(C)CCC#N ZINC000163957245 135210983 /nfs/dbraw/zinc/21/09/83/135210983.db2.gz BRLSBMHEMADFGA-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H]1CCC[C@@H](CCNC2=[NH+]CCN2C)C1 ZINC000261570107 135212410 /nfs/dbraw/zinc/21/24/10/135212410.db2.gz GQITYRORVGPLRD-NEPJUHHUSA-N 1 0 223.364 2.094 20 30 BEEDRO C=C(C)C[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000120857294 135220719 /nfs/dbraw/zinc/22/07/19/135220719.db2.gz YWALBLXPVJCXKB-UHFFFAOYSA-N 1 0 232.327 2.090 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000042351386 135221056 /nfs/dbraw/zinc/22/10/56/135221056.db2.gz HLXVLASUVSYZEV-OLZOCXBDSA-N 1 0 246.354 2.336 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](C)CCOc1ccccc1 ZINC000121061687 135221432 /nfs/dbraw/zinc/22/14/32/135221432.db2.gz TXGRLWTYZHHHNU-AWEZNQCLSA-N 1 0 249.354 2.324 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1c(F)cccc1F ZINC000121372829 135224338 /nfs/dbraw/zinc/22/43/38/135224338.db2.gz GHNCCPFFRKRVHH-LLVKDONJSA-N 1 0 227.254 2.116 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)COc1ccc(C)cc1C ZINC000121367822 135224796 /nfs/dbraw/zinc/22/47/96/135224796.db2.gz CSVZVDDZRMQZLQ-AWEZNQCLSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(OCCO)CC1 ZINC000340947958 135231596 /nfs/dbraw/zinc/23/15/96/135231596.db2.gz JKAFTTYDHHPDQH-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO COc1cccc(C[C@H](C)[NH2+]CCCCC#N)n1 ZINC000341181009 135234735 /nfs/dbraw/zinc/23/47/35/135234735.db2.gz FHSSSGHJFRISJP-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO Cn1cnc2cc(C[NH2+]CCCCC#N)ccc21 ZINC000341163183 135234827 /nfs/dbraw/zinc/23/48/27/135234827.db2.gz BNDOUZSNPKARIH-UHFFFAOYSA-N 1 0 242.326 2.357 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000341508801 135239787 /nfs/dbraw/zinc/23/97/87/135239787.db2.gz TZCKRBOORCAIEP-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO CCC[C@@]1(C)CCCN(/C(NC)=[NH+]/C)C1 ZINC000261644334 135242367 /nfs/dbraw/zinc/24/23/67/135242367.db2.gz ANOZWHVKDAZACG-LBPRGKRZSA-N 1 0 211.353 2.094 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000341870463 135243843 /nfs/dbraw/zinc/24/38/43/135243843.db2.gz BZANGLAJWOGTRI-WDEREUQCSA-N 1 0 238.306 2.056 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC000341882914 135243912 /nfs/dbraw/zinc/24/39/12/135243912.db2.gz HRGXFQUFEGWURH-MNOVXSKESA-N 1 0 238.306 2.056 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000341870458 135244270 /nfs/dbraw/zinc/24/42/70/135244270.db2.gz BZANGLAJWOGTRI-GHMZBOCLSA-N 1 0 238.306 2.056 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CC[C@@](C)(CC)C1 ZINC000261756460 135249701 /nfs/dbraw/zinc/24/97/01/135249701.db2.gz MNQWOQKMTAXGBA-RVROTUBLSA-N 1 0 211.353 2.046 20 30 BEEDRO Cn1cc(C[NH2+]CCC2(F)CCC2)cc1C#N ZINC000342232032 135254713 /nfs/dbraw/zinc/25/47/13/135254713.db2.gz RNCCEWHAGXPVGN-UHFFFAOYSA-N 1 0 235.306 2.269 20 30 BEEDRO Cc1cnc(C[NH2+]CC(C)(C)CCC#N)n1C ZINC000342308541 135258133 /nfs/dbraw/zinc/25/81/33/135258133.db2.gz XTEJNJFFQYRODC-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO CN(C)C(=[NH+]CCC1CCCCC1)N(C)C ZINC000261982194 135268546 /nfs/dbraw/zinc/26/85/46/135268546.db2.gz IMHCEVSZORDVPO-UHFFFAOYSA-N 1 0 225.380 2.436 20 30 BEEDRO C[C@@H]1CCC[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262195438 135285555 /nfs/dbraw/zinc/28/55/55/135285555.db2.gz ROOWSTALNZDUKT-PWSUYJOCSA-N 1 0 223.364 2.127 20 30 BEEDRO C[C@@H]1CCC[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262195440 135285677 /nfs/dbraw/zinc/28/56/77/135285677.db2.gz ROOWSTALNZDUKT-ZYHUDNBSSA-N 1 0 223.364 2.127 20 30 BEEDRO CC[NH+]=C(NCC(C)C)NC[C@H]1CC1(C)C ZINC000262401782 135295590 /nfs/dbraw/zinc/29/55/90/135295590.db2.gz NXHXDVXMJBUZPY-LLVKDONJSA-N 1 0 225.380 2.244 20 30 BEEDRO CC1(C)C(NC(=[NH2+])NCC2CCC2)C1(C)C ZINC000262380853 135298078 /nfs/dbraw/zinc/29/80/78/135298078.db2.gz GXFYHZAYYXZWJV-UHFFFAOYSA-N 1 0 223.364 2.125 20 30 BEEDRO C[C@H]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262471471 135300952 /nfs/dbraw/zinc/30/09/52/135300952.db2.gz OZJMMZJMRCYGEA-CMPLNLGQSA-N 1 0 223.364 2.127 20 30 BEEDRO COC[C@@H]1CCCC[N@H+](CC2(C#N)CC2)C1 ZINC000342598132 135301098 /nfs/dbraw/zinc/30/10/98/135301098.db2.gz YMUVLLSCGDAUCD-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO CN(C)C(=[NH+]CC1C(C)(C)C1(C)C)N(C)C ZINC000262484458 135301545 /nfs/dbraw/zinc/30/15/45/135301545.db2.gz SFOHQGQMZLPRDM-UHFFFAOYSA-N 1 0 225.380 2.148 20 30 BEEDRO CC/[NH+]=C(/N(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000262478670 135301596 /nfs/dbraw/zinc/30/15/96/135301596.db2.gz QWMHFIUQYKWWJY-PQDJCJPTSA-N 1 0 245.370 2.413 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@H]2CC2(C)C)C1 ZINC000262530837 135303665 /nfs/dbraw/zinc/30/36/65/135303665.db2.gz NJTGVBZKDLZQNS-GHMZBOCLSA-N 1 0 223.364 2.079 20 30 BEEDRO Cc1cccc([C@H](C)CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262634708 135310377 /nfs/dbraw/zinc/31/03/77/135310377.db2.gz GNPXWJZZLLLWHJ-NEPJUHHUSA-N 1 0 231.343 2.036 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC(C)(C)C2=CCCCC2)N1 ZINC000262646563 135310924 /nfs/dbraw/zinc/31/09/24/135310924.db2.gz JEWZBCHSTNLBFB-NSHDSACASA-N 1 0 235.375 2.450 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)C2=CCCCC2)N1 ZINC000262646560 135311115 /nfs/dbraw/zinc/31/11/15/135311115.db2.gz JEWZBCHSTNLBFB-LLVKDONJSA-N 1 0 235.375 2.450 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000262652799 135311433 /nfs/dbraw/zinc/31/14/33/135311433.db2.gz JUAZMSDAQREKKP-NEPJUHHUSA-N 1 0 221.348 2.022 20 30 BEEDRO CC(C)C1CCC(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262663267 135311629 /nfs/dbraw/zinc/31/16/29/135311629.db2.gz NOJAFGFWZSTBKC-PNESKVBLSA-N 1 0 237.391 2.386 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC[C@@H]2CCCC[C@H]2C)N1 ZINC000262654916 135312109 /nfs/dbraw/zinc/31/21/09/135312109.db2.gz LHSFBUNZBGPURZ-UTUOFQBUSA-N 1 0 223.364 2.140 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCCF)cc1Cl ZINC000262689696 135314008 /nfs/dbraw/zinc/31/40/08/135314008.db2.gz BWJQEESBZJLAAK-UHFFFAOYSA-N 1 0 245.685 2.045 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000262706111 135314977 /nfs/dbraw/zinc/31/49/77/135314977.db2.gz BNHDXIUOPWTXGQ-QWHCGFSZSA-N 1 0 235.375 2.364 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(C2CC2)cc1F ZINC000262727082 135315418 /nfs/dbraw/zinc/31/54/18/135315418.db2.gz ZTRCBZGQJFMOEA-UHFFFAOYSA-N 1 0 247.317 2.293 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000342732811 135316847 /nfs/dbraw/zinc/31/68/47/135316847.db2.gz DLZBHTDJLBZJTO-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000342735558 135316958 /nfs/dbraw/zinc/31/69/58/135316958.db2.gz HYCNRJCADXVFOH-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000263048287 135329083 /nfs/dbraw/zinc/32/90/83/135329083.db2.gz DEEUYUHKDMWAKM-SNVBAGLBSA-N 1 0 249.383 2.189 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@@H]2CCCC(C)(C)C2)N1 ZINC000263049439 135329150 /nfs/dbraw/zinc/32/91/50/135329150.db2.gz DGVAMKQVZXODBH-WDEREUQCSA-N 1 0 223.364 2.140 20 30 BEEDRO [NH2+]=C(NCC1=CCCCC1)Nc1ccccn1 ZINC000263083156 135331917 /nfs/dbraw/zinc/33/19/17/135331917.db2.gz HZTUOSZNOXVTOR-UHFFFAOYSA-N 1 0 230.315 2.309 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1C[C@H]1C1CCC1 ZINC000263085921 135332057 /nfs/dbraw/zinc/33/20/57/135332057.db2.gz SQAOVQRPKCVSRR-USWWRNFRSA-N 1 0 223.364 2.125 20 30 BEEDRO [NH2+]=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CC12CC2 ZINC000263088326 135332183 /nfs/dbraw/zinc/33/21/83/135332183.db2.gz TUQLGTSFJYRCQR-CYBMUJFWSA-N 1 0 241.338 2.454 20 30 BEEDRO CS[C@@H](CNC(=[NH2+])NC1CCC1)C(C)(C)C ZINC000263174250 135337018 /nfs/dbraw/zinc/33/70/18/135337018.db2.gz SMFZCIILQITXAE-JTQLQIEISA-N 1 0 243.420 2.221 20 30 BEEDRO CC1CCC(C)(CNC(=[NH2+])N2CCC2)CC1 ZINC000263189550 135338375 /nfs/dbraw/zinc/33/83/75/135338375.db2.gz VLCUHQXLSHZILC-UHFFFAOYSA-N 1 0 223.364 2.223 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@H]1CCC[C@@H]1C1CC1 ZINC000263197581 135338774 /nfs/dbraw/zinc/33/87/74/135338774.db2.gz WSNYTEVHTVDULH-CHWSQXEVSA-N 1 0 235.375 2.094 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cc(C)cs1 ZINC000263161575 135341001 /nfs/dbraw/zinc/34/10/01/135341001.db2.gz QPMRBZZMPHLLOX-UHFFFAOYSA-N 1 0 223.345 2.037 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])N[C@H]2CC23CCCC3)C1 ZINC000263271143 135343839 /nfs/dbraw/zinc/34/38/39/135343839.db2.gz PBKNCDSTSFDTMZ-RYUDHWBXSA-N 1 0 235.375 2.366 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000334324228 135352729 /nfs/dbraw/zinc/35/27/29/135352729.db2.gz ADXFLLJNIRCYHP-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C[N@H+](Cc1cccnc1)[C@H]1CC[C@H](C#N)C1 ZINC000334349289 135367857 /nfs/dbraw/zinc/36/78/57/135367857.db2.gz AAGYTKSGQZELHI-AAEUAGOBSA-N 1 0 215.300 2.206 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000281396720 135369812 /nfs/dbraw/zinc/36/98/12/135369812.db2.gz PIYTUHNBRMIAGM-LBPRGKRZSA-N 1 0 217.316 2.341 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000282646145 135371470 /nfs/dbraw/zinc/37/14/70/135371470.db2.gz CCJJZICSRPXLLT-GHMZBOCLSA-N 1 0 213.321 2.130 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCC=CO1)C(C)(C)C ZINC000290245862 135373385 /nfs/dbraw/zinc/37/33/85/135373385.db2.gz VDCYIJOLSXMOMA-RYUDHWBXSA-N 1 0 207.317 2.317 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292996802 135376529 /nfs/dbraw/zinc/37/65/29/135376529.db2.gz NKSIIUXPQBLQBH-SECBINFHSA-N 1 0 229.274 2.202 20 30 BEEDRO N#CCCOCC[N@@H+]1CCCc2ccccc2C1 ZINC000293148590 135376953 /nfs/dbraw/zinc/37/69/53/135376953.db2.gz QTRNULJVBJBATQ-UHFFFAOYSA-N 1 0 244.338 2.365 20 30 BEEDRO COc1ccc(C[N@H+](C)CCOCCC#N)cc1 ZINC000293541287 135377286 /nfs/dbraw/zinc/37/72/86/135377286.db2.gz QIUWCDKOGGAPJN-UHFFFAOYSA-N 1 0 248.326 2.057 20 30 BEEDRO C=CCSCC[NH2+]Cc1ncc(C)s1 ZINC000294689792 135377494 /nfs/dbraw/zinc/37/74/94/135377494.db2.gz AHCLFRAUKVMTFP-UHFFFAOYSA-N 1 0 228.386 2.460 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)CCC=C ZINC000295033676 135378507 /nfs/dbraw/zinc/37/85/07/135378507.db2.gz OVIZZIADXXBABE-CQSZACIVSA-N 1 0 222.376 2.276 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1nccnc1C ZINC000295028581 135379011 /nfs/dbraw/zinc/37/90/11/135379011.db2.gz OHIODHMREBBEKG-NSHDSACASA-N 1 0 219.332 2.272 20 30 BEEDRO C=C(C)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000334393854 135385665 /nfs/dbraw/zinc/38/56/65/135385665.db2.gz BEJSPEUJLQHSRD-AWEZNQCLSA-N 1 0 222.376 2.370 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000081520190 135387689 /nfs/dbraw/zinc/38/76/89/135387689.db2.gz QUNHYHOPFKPKMC-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000077422218 135392049 /nfs/dbraw/zinc/39/20/49/135392049.db2.gz JBXGOBGZIHGPQI-STQMWFEESA-N 1 0 249.354 2.358 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)[C@H](C)CO ZINC000077422221 135392286 /nfs/dbraw/zinc/39/22/86/135392286.db2.gz JBXGOBGZIHGPQI-OLZOCXBDSA-N 1 0 249.354 2.358 20 30 BEEDRO Cc1cnc(CC[NH+]2CCC(C#N)CC2)c(C)c1 ZINC000335624498 135418333 /nfs/dbraw/zinc/41/83/33/135418333.db2.gz YXDPHBQIGXOZNH-UHFFFAOYSA-N 1 0 243.354 2.477 20 30 BEEDRO CS[C@@H](CO)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000164629272 135432385 /nfs/dbraw/zinc/43/23/85/135432385.db2.gz JCGNPJHZHKGHMN-QWRGUYRKSA-N 1 0 244.404 2.018 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000181883139 135507700 /nfs/dbraw/zinc/50/77/00/135507700.db2.gz AHWFUCIZFMLREA-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C[N@@H+](CC#Cc1cccc(Cl)c1)CCCO ZINC000281800129 135511742 /nfs/dbraw/zinc/51/17/42/135511742.db2.gz KKWSBWYFNJKHRY-UHFFFAOYSA-N 1 0 237.730 2.006 20 30 BEEDRO C=CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000287748043 135590568 /nfs/dbraw/zinc/59/05/68/135590568.db2.gz ZEDHPUHNKHPEMN-UHFFFAOYSA-N 1 0 241.338 2.303 20 30 BEEDRO C#CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289359095 135609369 /nfs/dbraw/zinc/60/93/69/135609369.db2.gz NZCQDDLQBVELHU-LLVKDONJSA-N 1 0 223.341 2.031 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@H]2CCO[C@@H]21 ZINC000366819208 135633197 /nfs/dbraw/zinc/63/31/97/135633197.db2.gz FVZNVHWWMAIYFW-UTUOFQBUSA-N 1 0 234.343 2.083 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H]1CCC=CO1 ZINC000194423736 135636143 /nfs/dbraw/zinc/63/61/43/135636143.db2.gz YLIPFALYQRMGBD-NSHDSACASA-N 1 0 213.346 2.188 20 30 BEEDRO C#CCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292072437 135654066 /nfs/dbraw/zinc/65/40/66/135654066.db2.gz DRKBISHINIPVQY-UHFFFAOYSA-N 1 0 232.283 2.443 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1cccc(C#N)c1 ZINC000344596218 135786092 /nfs/dbraw/zinc/78/60/92/135786092.db2.gz AUAZVHLVHDIHOB-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO CCc1cc(CCCN(C)[C@H](C)CC#N)on1 ZINC000347744754 136011101 /nfs/dbraw/zinc/01/11/01/136011101.db2.gz HVOUFLNBSZTWOS-LLVKDONJSA-N 1 0 235.331 2.404 20 30 BEEDRO C=CCOCCC[N@@H+](C)C1CCC(OC)CC1 ZINC000348063406 136025309 /nfs/dbraw/zinc/02/53/09/136025309.db2.gz VXZJQESHFCREKH-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1c1cc(C)on1 ZINC000367019671 136027880 /nfs/dbraw/zinc/02/78/80/136027880.db2.gz JKTKPVGZVRAYRR-GFCCVEGCSA-N 1 0 204.273 2.143 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCc1ccccn1 ZINC000348044146 136029615 /nfs/dbraw/zinc/02/96/15/136029615.db2.gz HAJSMPVFTGJCMU-UHFFFAOYSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC2(CCC2)C1 ZINC000348044846 136029784 /nfs/dbraw/zinc/02/97/84/136029784.db2.gz BVIXLXASTGXNAR-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCOCCC[NH+]1CCC(C)(C#N)CC1 ZINC000348046119 136029985 /nfs/dbraw/zinc/02/99/85/136029985.db2.gz DMIDTGAEEMQTDS-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000348141533 136038786 /nfs/dbraw/zinc/03/87/86/136038786.db2.gz YQDFLADZUYFVNM-CYBMUJFWSA-N 1 0 249.354 2.283 20 30 BEEDRO C=CC1CC[NH+](CCc2cnn(CC)c2)CC1 ZINC000348271856 136058910 /nfs/dbraw/zinc/05/89/10/136058910.db2.gz PCJAHGWTMDLKBT-UHFFFAOYSA-N 1 0 233.359 2.344 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+]2CCCCC[C@@H]2C)C1=O ZINC000335344513 136065344 /nfs/dbraw/zinc/06/53/44/136065344.db2.gz KYWOWFIPMZGPMU-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCOCC3(CCC3)C2)C1 ZINC000335350951 136068628 /nfs/dbraw/zinc/06/86/28/136068628.db2.gz WUBRCEOUMDWDAA-QWHCGFSZSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccc(C#N)cc1F ZINC000348403667 136076492 /nfs/dbraw/zinc/07/64/92/136076492.db2.gz WQVAZWITYUJYON-GXSJLCMTSA-N 1 0 234.274 2.137 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000348403671 136076937 /nfs/dbraw/zinc/07/69/37/136076937.db2.gz WQVAZWITYUJYON-ONGXEEELSA-N 1 0 234.274 2.137 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1(SC)CC1 ZINC000348414936 136077369 /nfs/dbraw/zinc/07/73/69/136077369.db2.gz VXNDBCRUVKDFGE-UHFFFAOYSA-N 1 0 215.362 2.016 20 30 BEEDRO CCOC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000348445182 136081799 /nfs/dbraw/zinc/08/17/99/136081799.db2.gz RDWGWSNLQCVPKB-OLZOCXBDSA-N 1 0 237.347 2.081 20 30 BEEDRO C[N@@H+]1CCCN(CCC2(C#N)CCCCC2)CC1 ZINC000335380808 136087239 /nfs/dbraw/zinc/08/72/39/136087239.db2.gz HQXNABMPBQCFNM-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@H](F)C2)n1 ZINC000335387077 136089276 /nfs/dbraw/zinc/08/92/76/136089276.db2.gz QOGWDRNUBHSCPI-IUCAKERBSA-N 1 0 239.319 2.385 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@@H]1CCC[C@@H]1O ZINC000348554529 136096691 /nfs/dbraw/zinc/09/66/91/136096691.db2.gz YPAQMJJVFUIOTF-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(n2)CCC3)C1 ZINC000335548851 136097335 /nfs/dbraw/zinc/09/73/35/136097335.db2.gz FOVZBWYHKIKSNJ-YPMHNXCESA-N 1 0 241.338 2.352 20 30 BEEDRO CC#CCN(C)C(=O)Nc1c(C)cc(C)nc1C ZINC000335588398 136102615 /nfs/dbraw/zinc/10/26/15/136102615.db2.gz CTBLJJWQEOFICF-UHFFFAOYSA-N 1 0 245.326 2.494 20 30 BEEDRO C[C@@H](CCCC#N)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC001172500030 974852374 /nfs/dbraw/zinc/85/23/74/974852374.db2.gz ISBQISHTZQYEAN-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCCCCC[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC001646548506 1172743036 /nfs/dbraw/zinc/74/30/36/1172743036.db2.gz QOOOWEHWINZISE-FRRDWIJNSA-N 1 0 238.375 2.330 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCN(C)C(C)(C)C1 ZINC001172500853 974853634 /nfs/dbraw/zinc/85/36/34/974853634.db2.gz PBKIPQLPKBABJF-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](O)c1cccc(OC)c1 ZINC000062353009 1172756116 /nfs/dbraw/zinc/75/61/16/1172756116.db2.gz RGRQMYORYSUWHS-OAHLLOKOSA-N 1 0 247.338 2.403 20 30 BEEDRO Cn1cc(C[NH2+]Cc2cccs2)cc1C#N ZINC000189578935 397797782 /nfs/dbraw/zinc/79/77/82/397797782.db2.gz VGWAYAUFUVRMPO-UHFFFAOYSA-N 1 0 231.324 2.248 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cncs1 ZINC000280766934 397745808 /nfs/dbraw/zinc/74/58/08/397745808.db2.gz ZFWOQNKMCRPFQY-JQWIXIFHSA-N 1 0 238.356 2.214 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445811013 397834912 /nfs/dbraw/zinc/83/49/12/397834912.db2.gz NNDRAQSMJABOMC-GJZGRUSLSA-N 1 0 246.354 2.449 20 30 BEEDRO CCC(CC)(CO)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310018026 397875263 /nfs/dbraw/zinc/87/52/63/397875263.db2.gz LUTNMPJVGITMQQ-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]1[C@H](O)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000650188431 397968750 /nfs/dbraw/zinc/96/87/50/397968750.db2.gz DMQBMDRVZRTZAI-BXUZGUMPSA-N 1 0 249.741 2.147 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000444750180 397943096 /nfs/dbraw/zinc/94/30/96/397943096.db2.gz YSZWKHBVTZCVCM-UONOGXRCSA-N 1 0 241.375 2.469 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721005 397943359 /nfs/dbraw/zinc/94/33/59/397943359.db2.gz UZUNSGXFXORHJQ-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1c(C)noc1C ZINC000382398949 397946994 /nfs/dbraw/zinc/94/69/94/397946994.db2.gz PDCFRAFXOTXEHO-SECBINFHSA-N 1 0 224.304 2.145 20 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BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(OC)c1 ZINC000491616318 398048430 /nfs/dbraw/zinc/04/84/30/398048430.db2.gz INVOIRXMWYTOQU-NSHDSACASA-N 1 0 203.285 2.149 20 30 BEEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598595590 398031801 /nfs/dbraw/zinc/03/18/01/398031801.db2.gz PFFFYQSMUQBGSS-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)nn1C)C1CCCC1 ZINC000491265233 398034677 /nfs/dbraw/zinc/03/46/77/398034677.db2.gz KJDHMXNJSLDAFU-UHFFFAOYSA-N 1 0 231.343 2.106 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000264835767 398038878 /nfs/dbraw/zinc/03/88/78/398038878.db2.gz HKPQTMIEAYRFQE-ZDUSSCGKSA-N 1 0 232.327 2.055 20 30 BEEDRO CC(C)(C[NH+]1CCCC1)Nc1ncccc1C#N ZINC000308667487 397969727 /nfs/dbraw/zinc/96/97/27/397969727.db2.gz LFKDFSZSINCLOJ-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1F)[C@H]1CCCO1 ZINC000035056230 397970001 /nfs/dbraw/zinc/97/00/01/397970001.db2.gz SNAHFXSNHJUNDD-IINYFYTJSA-N 1 0 248.301 2.354 20 30 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CC#CCC[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000649718968 398061151 /nfs/dbraw/zinc/06/11/51/398061151.db2.gz JVLDPHDNEQSFJU-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000491779763 398068157 /nfs/dbraw/zinc/06/81/57/398068157.db2.gz JCYKVSWDGPRWAJ-QWHCGFSZSA-N 1 0 203.260 2.247 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1nc(C)ccc1O)C(C)(C)C ZINC000491793777 398071049 /nfs/dbraw/zinc/07/10/49/398071049.db2.gz NFWZUMAXVXXXPB-CYBMUJFWSA-N 1 0 232.327 2.233 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000336738370 398076444 /nfs/dbraw/zinc/07/64/44/398076444.db2.gz KCBAJBSNEASNME-NEPJUHHUSA-N 1 0 219.332 2.142 20 30 BEEDRO C=C(C)C[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285639677 398078987 /nfs/dbraw/zinc/07/89/87/398078987.db2.gz OGWYGTIXUHEEIA-UHFFFAOYSA-N 1 0 217.316 2.085 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443983368 398085672 /nfs/dbraw/zinc/08/56/72/398085672.db2.gz CUNWCSOWDZVLTL-ABCZVMIZSA-N 1 0 244.338 2.283 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000649702744 398051147 /nfs/dbraw/zinc/05/11/47/398051147.db2.gz MEMLPNWMSQFGFU-ZDUSSCGKSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000491656103 398055354 /nfs/dbraw/zinc/05/53/54/398055354.db2.gz DBQDOKNEJLJETD-UHFFFAOYSA-N 1 0 204.317 2.416 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000459728098 398056397 /nfs/dbraw/zinc/05/63/97/398056397.db2.gz HTWQPOMTUWYOGH-UWVGGRQHSA-N 1 0 212.362 2.267 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649716165 398057354 /nfs/dbraw/zinc/05/73/54/398057354.db2.gz VUVWSCQHBWYOOO-QWHCGFSZSA-N 1 0 241.375 2.203 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000650313306 398102011 /nfs/dbraw/zinc/10/20/11/398102011.db2.gz IXCVJBKPXINOQY-LXTVHRRPSA-N 1 0 233.355 2.004 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2(CC#N)CC2)[C@H](C)C1 ZINC000304155031 398107214 /nfs/dbraw/zinc/10/72/14/398107214.db2.gz IZGVSPGDXUEWIW-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000307415129 398110505 /nfs/dbraw/zinc/11/05/05/398110505.db2.gz JJZRKXSAASQHPH-UHFFFAOYSA-N 1 0 228.336 2.065 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000648763418 398114255 /nfs/dbraw/zinc/11/42/55/398114255.db2.gz LZTPPUQOQDALCL-FQUUOJAGSA-N 1 0 239.359 2.267 20 30 BEEDRO CCC(O)(CC)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336740785 398123803 /nfs/dbraw/zinc/12/38/03/398123803.db2.gz QNAXJARTYWJQOG-NWDGAFQWSA-N 1 0 224.348 2.209 20 30 BEEDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000571917543 398128003 /nfs/dbraw/zinc/12/80/03/398128003.db2.gz HDSQXPAPSMMUAA-UHFFFAOYSA-N 1 0 240.310 2.074 20 30 BEEDRO C=CCCCC[N@@H+]1CCn2ccnc2C1 ZINC000649277009 398135160 /nfs/dbraw/zinc/13/51/60/398135160.db2.gz JCXOHSWYGJLOLJ-UHFFFAOYSA-N 1 0 205.305 2.055 20 30 BEEDRO C=CC(C)(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297418136 322864593 /nfs/dbraw/zinc/86/45/93/322864593.db2.gz YVKRNGKKQFRPPR-UHFFFAOYSA-N 1 0 243.310 2.163 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@H]1c1cc(C)n[nH]1 ZINC001648429383 1172833651 /nfs/dbraw/zinc/83/36/51/1172833651.db2.gz FLGFXVTXYUMQBR-ZDUSSCGKSA-N 1 0 217.316 2.268 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001648526717 1172841953 /nfs/dbraw/zinc/84/19/53/1172841953.db2.gz ZGCBEGLPGFOUPI-CHWSQXEVSA-N 1 0 246.358 2.196 20 30 BEEDRO C=C(C)C[NH2+]Cc1nc2c(s1)CCC2 ZINC000119639910 487558849 /nfs/dbraw/zinc/55/88/49/487558849.db2.gz QYQLPIISGBMSHY-UHFFFAOYSA-N 1 0 208.330 2.298 20 30 BEEDRO C=CC[C@@H]([NH2+]Cc1cnc[nH]1)c1ccncc1 ZINC001649805365 1172878651 /nfs/dbraw/zinc/87/86/51/1172878651.db2.gz CRIUESKUULQVCR-CYBMUJFWSA-N 1 0 228.299 2.212 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cc(OC)no2)C1 ZINC000661384141 487570487 /nfs/dbraw/zinc/57/04/87/487570487.db2.gz HCDXXKACKRVOPH-LLVKDONJSA-N 1 0 236.315 2.471 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H]2CCCN2C)C1 ZINC000661383487 487571060 /nfs/dbraw/zinc/57/10/60/487571060.db2.gz DJEFMEXGAHLPDJ-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C#CCN(c1cc(CC)nc(CC)n1)C1CC1 ZINC001651077573 1172920806 /nfs/dbraw/zinc/92/08/06/1172920806.db2.gz NWYFFXOCYSSXLX-UHFFFAOYSA-N 1 0 229.327 2.203 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000680381782 487580204 /nfs/dbraw/zinc/58/02/04/487580204.db2.gz LFGLCNFUQYSDNR-SKDRFNHKSA-N 1 0 238.331 2.269 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](CC)c1c(C)noc1C ZINC000680403049 487588217 /nfs/dbraw/zinc/58/82/17/487588217.db2.gz HPTJILLFGJEDKD-NEPJUHHUSA-N 1 0 238.331 2.269 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001651554216 1172958441 /nfs/dbraw/zinc/95/84/41/1172958441.db2.gz IXAMIKIYRFPWGW-OAHLLOKOSA-N 1 0 234.387 2.254 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CC=CCC2)CCOCC1 ZINC001651674184 1172973725 /nfs/dbraw/zinc/97/37/25/1172973725.db2.gz UXTQMIDSEQMWDD-ZDUSSCGKSA-N 1 0 234.343 2.253 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CC=CCC2)CCOCC1 ZINC001651674183 1172975037 /nfs/dbraw/zinc/97/50/37/1172975037.db2.gz UXTQMIDSEQMWDD-CYBMUJFWSA-N 1 0 234.343 2.253 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)nc1C ZINC000680471659 487601794 /nfs/dbraw/zinc/60/17/94/487601794.db2.gz LHPZGLYQLCARJT-STQMWFEESA-N 1 0 234.343 2.286 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000270983392 166128748 /nfs/dbraw/zinc/12/87/48/166128748.db2.gz CQNOANGYOQXZBJ-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](C)c1ccccn1 ZINC000271067582 166129071 /nfs/dbraw/zinc/12/90/71/166129071.db2.gz GSVSADBJKZWMOX-GFCCVEGCSA-N 1 0 202.301 2.488 20 30 BEEDRO C#CCCC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000275006329 166129176 /nfs/dbraw/zinc/12/91/76/166129176.db2.gz QJBVJYNCSNKNLW-UHFFFAOYSA-N 1 0 247.260 2.243 20 30 BEEDRO C#CCCC[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000273224927 166133115 /nfs/dbraw/zinc/13/31/15/166133115.db2.gz CLLBEHFNARLBQX-YOEHRIQHSA-N 1 0 249.379 2.109 20 30 BEEDRO C#CCC[N@H+](CC#C)Cc1ccc(F)cc1 ZINC000268688028 166134386 /nfs/dbraw/zinc/13/43/86/166134386.db2.gz GQPUUKCFHACNCB-UHFFFAOYSA-N 1 0 215.271 2.284 20 30 BEEDRO CC(C)SCC[NH2+]Cc1ccc(C#N)o1 ZINC000290043163 167330536 /nfs/dbraw/zinc/33/05/36/167330536.db2.gz FXFGHNCGASUTHR-UHFFFAOYSA-N 1 0 224.329 2.382 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)[NH2+]C ZINC000662600558 409776563 /nfs/dbraw/zinc/77/65/63/409776563.db2.gz GIGNXZZRRVJJFO-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000456121742 487611120 /nfs/dbraw/zinc/61/11/20/487611120.db2.gz MXSBFJKMEHPLCR-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000662618121 409790639 /nfs/dbraw/zinc/79/06/39/409790639.db2.gz UBTXABNOMNNKIH-OCCSQVGLSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000662858188 409957172 /nfs/dbraw/zinc/95/71/72/409957172.db2.gz VZAQVBFNAFQVBR-LBPRGKRZSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000662951955 409986758 /nfs/dbraw/zinc/98/67/58/409986758.db2.gz ATWPGZPHBOSFJM-VXGBXAGGSA-N 1 0 238.375 2.365 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000308918326 409936159 /nfs/dbraw/zinc/93/61/59/409936159.db2.gz IBUJZPKVAAJWCV-IFWUJCSASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1CC2CCC1CC2 ZINC000308918324 409936878 /nfs/dbraw/zinc/93/68/78/409936878.db2.gz IBUJZPKVAAJWCV-FIYWTHMPSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000308918330 409937453 /nfs/dbraw/zinc/93/74/53/409937453.db2.gz IBUJZPKVAAJWCV-TYUFSLCMSA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCCC12COC2 ZINC001172506853 974859740 /nfs/dbraw/zinc/85/97/40/974859740.db2.gz KWHBWTRVQVQOTO-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000661152429 410303965 /nfs/dbraw/zinc/30/39/65/410303965.db2.gz FDTLFTYXKNDBAQ-GFCCVEGCSA-N 1 0 234.343 2.371 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](CO)C1CCC1 ZINC000661153091 410305923 /nfs/dbraw/zinc/30/59/23/410305923.db2.gz ISXLDUJIQUAGEL-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000659020046 410316247 /nfs/dbraw/zinc/31/62/47/410316247.db2.gz SNCBXYSZWFPTMT-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC[C@@H](C)O1)[C@@H](C)COC ZINC000661239796 410400915 /nfs/dbraw/zinc/40/09/15/410400915.db2.gz JDZWRRIRSCBLPB-XQQFMLRXSA-N 1 0 227.348 2.077 20 30 BEEDRO C=CC[N@@H+](CCc1cncs1)[C@@H](C)COC ZINC000661241305 410401482 /nfs/dbraw/zinc/40/14/82/410401482.db2.gz VKVTZAYFKGGJHR-NSHDSACASA-N 1 0 240.372 2.209 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCO[C@H](C)C1)[C@@H](C)COC ZINC000661240667 410402845 /nfs/dbraw/zinc/40/28/45/410402845.db2.gz PUYLHVCOAGCDIL-BFHYXJOUSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](CCc1ccccn1)[C@@H](C)COC ZINC000661247640 410412591 /nfs/dbraw/zinc/41/25/91/410412591.db2.gz PYUVRNUZMVVBBB-ZDUSSCGKSA-N 1 0 234.343 2.147 20 30 BEEDRO Cc1cncc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000335597406 410450809 /nfs/dbraw/zinc/45/08/09/410450809.db2.gz UKLZWXIKMSDFPI-DGCLKSJQSA-N 1 0 215.300 2.172 20 30 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C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(C)C)C1 ZINC000651712645 411138074 /nfs/dbraw/zinc/13/80/74/411138074.db2.gz NBUJJRUPFGXLBQ-FRRDWIJNSA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000308556300 411138305 /nfs/dbraw/zinc/13/83/05/411138305.db2.gz ZMNXQHQIEFTUKO-QMMMGPOBSA-N 1 0 209.318 2.149 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)COCCOC)C1 ZINC000651724797 411139090 /nfs/dbraw/zinc/13/90/90/411139090.db2.gz HFVDAGHTGHSYFV-BFHYXJOUSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)COCCOC)C1 ZINC000651724799 411139217 /nfs/dbraw/zinc/13/92/17/411139217.db2.gz HFVDAGHTGHSYFV-MGPQQGTHSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)CCO)C1 ZINC000651724727 411139220 /nfs/dbraw/zinc/13/92/20/411139220.db2.gz DYFXDLRSQUYMOK-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](O)CC)C1 ZINC000651737532 411140009 /nfs/dbraw/zinc/14/00/09/411140009.db2.gz IBJWRKJBHJWFCH-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCN2CCCC2)C1 ZINC000651749804 411140904 /nfs/dbraw/zinc/14/09/04/411140904.db2.gz KFQGKBFDIIIUIZ-ZIAGYGMSSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN2CCCC2)C1 ZINC000651749802 411141061 /nfs/dbraw/zinc/14/10/61/411141061.db2.gz KFQGKBFDIIIUIZ-KGLIPLIRSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[C@H](C)O)C1 ZINC000651759549 411141958 /nfs/dbraw/zinc/14/19/58/411141958.db2.gz UGYWSPHSTOWLIJ-XQHKEYJVSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc2c1CCC2 ZINC000651761006 411142379 /nfs/dbraw/zinc/14/23/79/411142379.db2.gz AGPADGSYSYXLDF-AWEZNQCLSA-N 1 0 231.339 2.202 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cc(C(N)=O)co2)C1 ZINC000651767708 411142682 /nfs/dbraw/zinc/14/26/82/411142682.db2.gz IWCQBENWXGHXHJ-PWSUYJOCSA-N 1 0 248.326 2.213 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(CCO)CC2)C1 ZINC000651768338 411142828 /nfs/dbraw/zinc/14/28/28/411142828.db2.gz IIUTTYPZKQLYEG-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc(C(N)=O)co2)C1 ZINC000651767709 411142862 /nfs/dbraw/zinc/14/28/62/411142862.db2.gz IWCQBENWXGHXHJ-ZYHUDNBSSA-N 1 0 248.326 2.213 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000651785009 411143541 /nfs/dbraw/zinc/14/35/41/411143541.db2.gz MDYLKGKHWVGZJU-KXUCPTDWSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000651785011 411143655 /nfs/dbraw/zinc/14/36/55/411143655.db2.gz MDYLKGKHWVGZJU-OPRDCNLKSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H](C(=O)NC)C(C)C)C1 ZINC000651788677 411143764 /nfs/dbraw/zinc/14/37/64/411143764.db2.gz LZJPCNXWNHUYRD-AVGNSLFASA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000651824629 411145495 /nfs/dbraw/zinc/14/54/95/411145495.db2.gz WDOCMRMFKVGYTC-FQUUOJAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000651820481 411145905 /nfs/dbraw/zinc/14/59/05/411145905.db2.gz IBJPPKVMMMLASG-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CC)[C@H](C)O)C1 ZINC000651822797 411146163 /nfs/dbraw/zinc/14/61/63/411146163.db2.gz KICFDKZMIYHWKN-RNJOBUHISA-N 1 0 211.349 2.480 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](COC)CC(C)(C)C ZINC000651822497 411146195 /nfs/dbraw/zinc/14/61/95/411146195.db2.gz ZPGLYEUCLLCHOT-UPJWGTAASA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000651828563 411146583 /nfs/dbraw/zinc/14/65/83/411146583.db2.gz RCJLZDHCKLDINJ-WUHRBBMRSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)NC(C)C)C1 ZINC000651831739 411146913 /nfs/dbraw/zinc/14/69/13/411146913.db2.gz GBWUTWYOZJHRBD-XQQFMLRXSA-N 1 0 238.375 2.234 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000651846055 411147338 /nfs/dbraw/zinc/14/73/38/411147338.db2.gz FETMGDWEQPOYBK-RNJOBUHISA-N 1 0 209.333 2.498 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)NCc1cccc(C#N)c1 ZINC000045690132 411148021 /nfs/dbraw/zinc/14/80/21/411148021.db2.gz ZXQJJBGZLYVBBV-CYBMUJFWSA-N 1 0 245.370 2.378 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H](CCO)COC ZINC000657885932 411153276 /nfs/dbraw/zinc/15/32/76/411153276.db2.gz AQLDKXGNQJNZSK-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@]1(O)CCOC1 ZINC000651944668 411158163 /nfs/dbraw/zinc/15/81/63/411158163.db2.gz CFYZEIJDYIHQSS-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(CO)CC1 ZINC000657897779 411158544 /nfs/dbraw/zinc/15/85/44/411158544.db2.gz INKVYHVUPGRACV-CHWSQXEVSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC1(CO)CCC1 ZINC000652037876 411088927 /nfs/dbraw/zinc/08/89/27/411088927.db2.gz AXZOYJXAALHEKH-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[C@@H](C)O ZINC000657924478 411168217 /nfs/dbraw/zinc/16/82/17/411168217.db2.gz ADBOIENVQDQIMG-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657933516 411172290 /nfs/dbraw/zinc/17/22/90/411172290.db2.gz RWWGOEJSRPNISQ-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657938908 411173895 /nfs/dbraw/zinc/17/38/95/411173895.db2.gz RMTJSJIBCVZJGW-NXEZZACHSA-N 1 0 235.318 2.440 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCSCC1 ZINC000657939460 411174126 /nfs/dbraw/zinc/17/41/26/411174126.db2.gz YRNBZTVJKLULRP-RYUDHWBXSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CCC(OCC)CC1 ZINC000657938708 411174450 /nfs/dbraw/zinc/17/44/50/411174450.db2.gz PKEVCGALZHZQJO-IYXRBSQSSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000657941608 411176058 /nfs/dbraw/zinc/17/60/58/411176058.db2.gz XYNCXJVWFQNKQO-RYUDHWBXSA-N 1 0 222.336 2.001 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655752491 411180376 /nfs/dbraw/zinc/18/03/76/411180376.db2.gz YVQQIJSLAAQCQC-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](COC)OC ZINC000657968775 411182301 /nfs/dbraw/zinc/18/23/01/411182301.db2.gz FEVKACNIWNZVND-HZSPNIEDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653811241 411188991 /nfs/dbraw/zinc/18/89/91/411188991.db2.gz ALGVHZVKFCTXBB-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000653701427 411194432 /nfs/dbraw/zinc/19/44/32/411194432.db2.gz RACARTRIVFAGMJ-OAHLLOKOSA-N 1 0 244.338 2.108 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](CO)CCF)C1CC1 ZINC000652305203 411194810 /nfs/dbraw/zinc/19/48/10/411194810.db2.gz XTFKZOQYHGRQNU-RYUDHWBXSA-N 1 0 215.312 2.041 20 30 BEEDRO CC#CC[N@H+](C)CCc1noc2ccccc21 ZINC000653708173 411199072 /nfs/dbraw/zinc/19/90/72/411199072.db2.gz JSWJYEMOPKQTGS-UHFFFAOYSA-N 1 0 228.295 2.325 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC ZINC000658021173 411199744 /nfs/dbraw/zinc/19/97/44/411199744.db2.gz OQPXTUMHQLNBHA-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000658027956 411204396 /nfs/dbraw/zinc/20/43/96/411204396.db2.gz AQERDFMKHKKUNX-LLVKDONJSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC ZINC000658038267 411213028 /nfs/dbraw/zinc/21/30/28/411213028.db2.gz OQPXTUMHQLNBHA-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1(OC)CCC1 ZINC000658037697 411213270 /nfs/dbraw/zinc/21/32/70/411213270.db2.gz IRCABZKEFHHOLT-AGIUHOORSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCOC1 ZINC000658040160 411214867 /nfs/dbraw/zinc/21/48/67/411214867.db2.gz DKBQEGKNQHZNIM-YNEHKIRRSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000658103568 411246462 /nfs/dbraw/zinc/24/64/62/411246462.db2.gz WQIFUGGLHDQQFZ-HBNTYKKESA-N 1 0 220.320 2.228 20 30 BEEDRO C[C@@]12COC[C@H]1C[N@H+](CC#Cc1ccccc1)C2 ZINC000661703306 411219516 /nfs/dbraw/zinc/21/95/16/411219516.db2.gz JUGRZNUSBSTMEN-HZPDHXFCSA-N 1 0 241.334 2.006 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2(COC)CC2)C1 ZINC000652179450 411166586 /nfs/dbraw/zinc/16/65/86/411166586.db2.gz OCQSIGCCOWQAKT-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C/C=C\CO ZINC000658139792 411264724 /nfs/dbraw/zinc/26/47/24/411264724.db2.gz SFGMZMLZWDJXGR-NTQVKLLNSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C1(CO)CC1)C1CC1 ZINC000658157585 411271513 /nfs/dbraw/zinc/27/15/13/411271513.db2.gz ZWEJXUNUWPIQMK-YPMHNXCESA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1(C)CC1 ZINC000380358920 411282302 /nfs/dbraw/zinc/28/23/02/411282302.db2.gz XNAFYQCSDUHMAX-NWDGAFQWSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000658210122 411294398 /nfs/dbraw/zinc/29/43/98/411294398.db2.gz OLDLYBIXMKMLLZ-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cscn1 ZINC000658209594 411294602 /nfs/dbraw/zinc/29/46/02/411294602.db2.gz HSLRIQIOQCTPGO-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000658209918 411294656 /nfs/dbraw/zinc/29/46/56/411294656.db2.gz KQWSQHJYCDUWNM-ZDUSSCGKSA-N 1 0 241.375 2.374 20 30 BEEDRO CC1CCN(CC[NH2+]C2CCC(C#N)CC2)CC1 ZINC000602516232 411296326 /nfs/dbraw/zinc/29/63/26/411296326.db2.gz WKOHLKDYWPWVRP-UHFFFAOYSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC(C)CC1 ZINC000602516341 411296415 /nfs/dbraw/zinc/29/64/15/411296415.db2.gz ZHVUUQOBIHNJAK-CQSZACIVSA-N 1 0 237.391 2.248 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCNC(=O)CC1)C(C)(C)C ZINC000661757986 411308630 /nfs/dbraw/zinc/30/86/30/411308630.db2.gz NPPUWHNUPOFQTL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000658116026 411249065 /nfs/dbraw/zinc/24/90/65/411249065.db2.gz YHSZUIOCYONXMJ-JTQLQIEISA-N 1 0 246.310 2.244 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655773759 411255320 /nfs/dbraw/zinc/25/53/20/411255320.db2.gz GPBXIWSABAOUOW-TUAOUCFPSA-N 1 0 229.389 2.187 20 30 BEEDRO C=CCC[C@H]([NH2+]C/C=C\CO)c1ccco1 ZINC000658132757 411256934 /nfs/dbraw/zinc/25/69/34/411256934.db2.gz BIQLJJBONKOSHF-RXNFCKPNSA-N 1 0 221.300 2.425 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCCn2ccnc21 ZINC000655773911 411257063 /nfs/dbraw/zinc/25/70/63/411257063.db2.gz KOHZDBQHTGNDCR-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348876 411350026 /nfs/dbraw/zinc/35/00/26/411350026.db2.gz SROZRRALVNAIOG-LPWJVIDDSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000659328469 411357271 /nfs/dbraw/zinc/35/72/71/411357271.db2.gz GRQSHPLKPZWFRN-LOWDOPEQSA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654312761 411370727 /nfs/dbraw/zinc/37/07/27/411370727.db2.gz YKTQUSYYPJJKHS-OLZOCXBDSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654312762 411370941 /nfs/dbraw/zinc/37/09/41/411370941.db2.gz YKTQUSYYPJJKHS-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1c(C)cccc1Cl ZINC000662168561 411371658 /nfs/dbraw/zinc/37/16/58/411371658.db2.gz KSOOSOCLJHINOE-SNVBAGLBSA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000658333861 411342625 /nfs/dbraw/zinc/34/26/25/411342625.db2.gz URGVUFAOTSFYBN-NOZJJQNGSA-N 1 0 239.265 2.089 20 30 BEEDRO CC1=CC[N@H+](CCNc2cccnc2C#N)CC1 ZINC000357466285 168112237 /nfs/dbraw/zinc/11/22/37/168112237.db2.gz YBHGPOAEAHXLAE-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655731143 411376684 /nfs/dbraw/zinc/37/66/84/411376684.db2.gz VJYKEIQFWMYXEC-QWRGUYRKSA-N 1 0 205.305 2.272 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCCC(C)C)nn1 ZINC000657299787 411455232 /nfs/dbraw/zinc/45/52/32/411455232.db2.gz ZDUQXDWTKJDZPC-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000491661958 411395343 /nfs/dbraw/zinc/39/53/43/411395343.db2.gz BJLDHCXYDGOGBF-CHWSQXEVSA-N 1 0 233.359 2.396 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CC[C@H]1CCCCO1 ZINC000491678833 411395681 /nfs/dbraw/zinc/39/56/81/411395681.db2.gz VHBVHZPTOHDYQB-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@H](CC)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659490783 411420847 /nfs/dbraw/zinc/42/08/47/411420847.db2.gz HTJUKNNHURNOOH-NWDGAFQWSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@](C)(CC)C2)nn1 ZINC000653568888 411423451 /nfs/dbraw/zinc/42/34/51/411423451.db2.gz QSABQVJTAKUWLQ-CQSZACIVSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655735266 411443055 /nfs/dbraw/zinc/44/30/55/411443055.db2.gz GEGTYZRXJZLWAR-SRVKXCTJSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)nn1 ZINC000653625676 411450178 /nfs/dbraw/zinc/45/01/78/411450178.db2.gz MPWZDGZUWAAVOD-GXTWGEPZSA-N 1 0 246.358 2.229 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657293771 411450290 /nfs/dbraw/zinc/45/02/90/411450290.db2.gz OCWRVJOPQSGUFT-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CC=CCC2)nn1 ZINC000657367215 411479300 /nfs/dbraw/zinc/47/93/00/411479300.db2.gz MRHFIRPWECUHJD-GFCCVEGCSA-N 1 0 232.331 2.053 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657393764 411492129 /nfs/dbraw/zinc/49/21/29/411492129.db2.gz XHLBEXMIMVORSU-SSDOTTSWSA-N 1 0 233.237 2.103 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2(C3CC3)CC2)nn1 ZINC000657415098 411499664 /nfs/dbraw/zinc/49/96/64/411499664.db2.gz GPFGLKDJKLASGH-UHFFFAOYSA-N 1 0 246.358 2.134 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2CC(C)(C)C2)nn1 ZINC000657442756 411511464 /nfs/dbraw/zinc/51/14/64/411511464.db2.gz FCDFLDCUVSWJAP-UHFFFAOYSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC(C)(C)CC)nn1 ZINC000657446469 411513743 /nfs/dbraw/zinc/51/37/43/411513743.db2.gz HMHPAHRJMMFALP-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657454510 411515060 /nfs/dbraw/zinc/51/50/60/411515060.db2.gz KPQPXFPBZLFASB-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCCC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657455676 411516278 /nfs/dbraw/zinc/51/62/78/411516278.db2.gz UQOBQXUVQPUTOU-UHFFFAOYSA-N 1 0 247.264 2.495 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCC[C@H]2C)nn1 ZINC000657456781 411517489 /nfs/dbraw/zinc/51/74/89/411517489.db2.gz XBXHYIQTMSZWHJ-OLZOCXBDSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657481425 411526695 /nfs/dbraw/zinc/52/66/95/411526695.db2.gz PIJMCWVUOGTGCU-UHFFFAOYSA-N 1 0 234.347 2.305 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnn2c1CCC2 ZINC000657481510 411526761 /nfs/dbraw/zinc/52/67/61/411526761.db2.gz RRRHONCFQJXSOZ-UHFFFAOYSA-N 1 0 219.332 2.131 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657481288 411527150 /nfs/dbraw/zinc/52/71/50/411527150.db2.gz MRXMEXSNICYDOG-UHFFFAOYSA-N 1 0 219.332 2.131 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccnn1CC1CC1 ZINC000657484479 411529103 /nfs/dbraw/zinc/52/91/03/411529103.db2.gz LIUBRFVENDMXGK-UHFFFAOYSA-N 1 0 219.332 2.349 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655828231 411530519 /nfs/dbraw/zinc/53/05/19/411530519.db2.gz BNMWYVRRXRVTCR-NWDGAFQWSA-N 1 0 248.374 2.007 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCc2c(nnn2C)C1 ZINC000655828258 411530862 /nfs/dbraw/zinc/53/08/62/411530862.db2.gz BNMWYVRRXRVTCR-VXGBXAGGSA-N 1 0 248.374 2.007 20 30 BEEDRO CC[N@@H+]1CC[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000135681040 170007717 /nfs/dbraw/zinc/00/77/17/170007717.db2.gz NQJUUINGHXLBMH-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO CC[N@@H+]1CC[C@H](CNCc2ccc(C#N)s2)C1 ZINC000135681001 170015468 /nfs/dbraw/zinc/01/54/68/170015468.db2.gz NQJUUINGHXLBMH-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO CC[NH2+]CCNc1ccc(C#N)c(Cl)c1 ZINC000061847095 170116180 /nfs/dbraw/zinc/11/61/80/170116180.db2.gz USLSDZAWNPGFQC-UHFFFAOYSA-N 1 0 223.707 2.233 20 30 BEEDRO CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000093297002 170129519 /nfs/dbraw/zinc/12/95/19/170129519.db2.gz BTSKPTDYIWMAGN-UHFFFAOYSA-N 1 0 240.310 2.068 20 30 BEEDRO C=CCC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000657583103 411554400 /nfs/dbraw/zinc/55/44/00/411554400.db2.gz ZRKAYSRXHJEYAC-UHFFFAOYSA-N 1 0 242.326 2.148 20 30 BEEDRO C=CCC[NH2+]Cc1c(C)cc(OC)nc1C ZINC000657582894 411554436 /nfs/dbraw/zinc/55/44/36/411554436.db2.gz LVKAMEGOMMEAOS-UHFFFAOYSA-N 1 0 220.316 2.373 20 30 BEEDRO C=CCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000657583080 411554485 /nfs/dbraw/zinc/55/44/85/411554485.db2.gz YHONKCCTHQUSNM-UHFFFAOYSA-N 1 0 207.321 2.373 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000657582838 411554636 /nfs/dbraw/zinc/55/46/36/411554636.db2.gz IXQBUZNSPCSCRI-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cnnn1C ZINC000657529747 411544674 /nfs/dbraw/zinc/54/46/74/411544674.db2.gz HPBBNASDXPJDQA-AAEUAGOBSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000657529494 411544688 /nfs/dbraw/zinc/54/46/88/411544688.db2.gz DKBQEGKNQHZNIM-UPJWGTAASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC1([NH2+]Cc2ccnn2CC)CCOCC1 ZINC000657632930 411567078 /nfs/dbraw/zinc/56/70/78/411567078.db2.gz CMXJTYSDDNNOOM-UHFFFAOYSA-N 1 0 249.358 2.118 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2(CO)CC2)C1 ZINC000657608619 411562041 /nfs/dbraw/zinc/56/20/41/411562041.db2.gz WNJZFLLNAAWMCA-XQQFMLRXSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC1([NH2+]Cc2conc2C)CCOCC1 ZINC000657634725 411567870 /nfs/dbraw/zinc/56/78/70/411567870.db2.gz PCIRFKJQZJLWIN-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000019962953 170380157 /nfs/dbraw/zinc/38/01/57/170380157.db2.gz XOEUVLBPHFEDLE-UHFFFAOYSA-N 1 0 218.300 2.074 20 30 BEEDRO CC#CCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663359009 411637288 /nfs/dbraw/zinc/63/72/88/411637288.db2.gz BNMOTNVCFVSHPP-UHFFFAOYSA-N 1 0 244.338 2.043 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(OC)ns1 ZINC000660401446 411579839 /nfs/dbraw/zinc/57/98/39/411579839.db2.gz PARRATIQEUMKAA-UHFFFAOYSA-N 1 0 212.318 2.160 20 30 BEEDRO C=CCC[N@@H+](C)CCCC(=O)NCC(C)C ZINC000660403364 411580181 /nfs/dbraw/zinc/58/01/81/411580181.db2.gz XZJRNHAADMQWDR-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCC)cc1C ZINC000657793174 411598666 /nfs/dbraw/zinc/59/86/66/411598666.db2.gz GLANMPPEOJTBIK-CYBMUJFWSA-N 1 0 235.327 2.030 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCC ZINC000657824271 411607641 /nfs/dbraw/zinc/60/76/41/411607641.db2.gz FNUHGJJAJUXZQH-XQQFMLRXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660625794 411608952 /nfs/dbraw/zinc/60/89/52/411608952.db2.gz KBCUKAKYZTWEAX-AWEZNQCLSA-N 1 0 246.354 2.464 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCC(=O)NC ZINC000657857254 411612775 /nfs/dbraw/zinc/61/27/75/411612775.db2.gz YOPVMLLWGGXMME-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](OC)C1CCCC1 ZINC000660722952 411619143 /nfs/dbraw/zinc/61/91/43/411619143.db2.gz QTPZWDVMAITFRN-RDBSUJKOSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)C[C@H]1CC=CCC1 ZINC000680099601 487536158 /nfs/dbraw/zinc/53/61/58/487536158.db2.gz YGZVRNMZVSUFCC-STQMWFEESA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)Cc2cc(O)ccc21 ZINC000661020195 411691581 /nfs/dbraw/zinc/69/15/81/411691581.db2.gz GWCYUBVVMJYUKC-UHFFFAOYSA-N 1 0 244.338 2.386 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1CCCO1)[C@@H](C)COC ZINC000661239272 411738740 /nfs/dbraw/zinc/73/87/40/411738740.db2.gz DNUBIVRKUJGLAB-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[N@@H+](CCC1CCOCC1)[C@H](C)COC ZINC000661239758 411740512 /nfs/dbraw/zinc/74/05/12/411740512.db2.gz IZBNPUNOOAYANJ-CYBMUJFWSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C)n1)[C@@H](C)COC ZINC000661239621 411740728 /nfs/dbraw/zinc/74/07/28/411740728.db2.gz HTIZJHJXASQPAL-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCCCO1)[C@@H](C)COC ZINC000661244652 411742566 /nfs/dbraw/zinc/74/25/66/411742566.db2.gz XCFPZIKHBWERAR-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)CCC)C1 ZINC000661385822 411754323 /nfs/dbraw/zinc/75/43/23/411754323.db2.gz QENOGPDZGJQWMW-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCN(CCOC)c1[nH+]ccc2[nH]ccc21 ZINC000663839705 411758295 /nfs/dbraw/zinc/75/82/95/411758295.db2.gz QFXWPDLMZWWWCP-UHFFFAOYSA-N 1 0 231.299 2.202 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000661378861 411760346 /nfs/dbraw/zinc/76/03/46/411760346.db2.gz NJMNVCKRRPEHKT-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)N(CC)CC)C1 ZINC000661376943 411760479 /nfs/dbraw/zinc/76/04/79/411760479.db2.gz HEDMRDBWBSEUPM-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)NC(C)C)C1 ZINC000661379010 411761290 /nfs/dbraw/zinc/76/12/90/411761290.db2.gz QLRLMGXUCDGDPR-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCC[C@@H](C)O)C1 ZINC000661384944 411765400 /nfs/dbraw/zinc/76/54/00/411765400.db2.gz MIWNNWVWBHBYJM-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661393337 411767322 /nfs/dbraw/zinc/76/73/22/411767322.db2.gz PSAKVVHMKSXTGB-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661489800 411786663 /nfs/dbraw/zinc/78/66/63/411786663.db2.gz CBMNSXNKAJMBBV-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO CCC#C[C@@H](C)N(C)Cc1ccc(OC)nc1 ZINC000661150561 411720877 /nfs/dbraw/zinc/72/08/77/411720877.db2.gz NSYPOEPFNWGGIL-GFCCVEGCSA-N 1 0 232.327 2.324 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661169469 411727314 /nfs/dbraw/zinc/72/73/14/411727314.db2.gz UFNLUCUOMCZDAZ-TZMCWYRMSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCC[C@H](CO)Nc1[nH+]ccc2[nH]ccc21 ZINC000663994006 411805171 /nfs/dbraw/zinc/80/51/71/411805171.db2.gz YCPVWJAGVZMITH-SNVBAGLBSA-N 1 0 231.299 2.302 20 30 BEEDRO C=CC[N@@H+](CC(=O)N[C@@H](C)CC)C(C)(C)C ZINC000661754787 411865797 /nfs/dbraw/zinc/86/57/97/411865797.db2.gz ASSRKERVIQLHPD-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661626553 411822232 /nfs/dbraw/zinc/82/22/32/411822232.db2.gz NGULCIISWBEKEL-JSGCOSHPSA-N 1 0 221.344 2.025 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)CC1=CCCOC1 ZINC000661654661 411831818 /nfs/dbraw/zinc/83/18/18/411831818.db2.gz LRQGBFAFLQPCAE-UHFFFAOYSA-N 1 0 241.334 2.317 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722956 411858754 /nfs/dbraw/zinc/85/87/54/411858754.db2.gz PNWOTJXAOZQMIO-FRRDWIJNSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CC[N@@H+](C[C@H](OC)[C@@H]1CCOC1)C(C)(C)C ZINC000661758487 411868041 /nfs/dbraw/zinc/86/80/41/411868041.db2.gz SSCHREXQNGNWBI-OLZOCXBDSA-N 1 0 241.375 2.324 20 30 BEEDRO CC#CCC[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661741421 411862204 /nfs/dbraw/zinc/86/22/04/411862204.db2.gz ZDYPUHFHOMYHRY-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO C=CCC1([NH2+]Cc2nnc(C)n2C)CCCC1 ZINC000661849574 411900665 /nfs/dbraw/zinc/90/06/65/411900665.db2.gz XFVPGKWKRFDFQR-UHFFFAOYSA-N 1 0 234.347 2.102 20 30 BEEDRO C=CCC1([NH2+]CC(=O)NCCCC)CCCC1 ZINC000661849846 411901574 /nfs/dbraw/zinc/90/15/74/411901574.db2.gz HXLORUIXBWDHEE-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC1([NH2+]CC(=O)N[C@@H](C)CC)CCCC1 ZINC000661848121 411901608 /nfs/dbraw/zinc/90/16/08/411901608.db2.gz ANXIQJGDMXSXCB-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCN1CC[C@H]([NH2+]C2(CC=C)CCCC2)C1=O ZINC000661851661 411902454 /nfs/dbraw/zinc/90/24/54/411902454.db2.gz ZCNXVXNLUSEFGZ-ZDUSSCGKSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661872800 411912601 /nfs/dbraw/zinc/91/26/01/411912601.db2.gz DIIBLFHKEFZIQP-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO CC#CCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661994384 411937788 /nfs/dbraw/zinc/93/77/88/411937788.db2.gz ZSJWSWYBBNDXLD-UHFFFAOYSA-N 1 0 233.355 2.291 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662015924 411940857 /nfs/dbraw/zinc/94/08/57/411940857.db2.gz BXAORNDDNJRZNB-CQSZACIVSA-N 1 0 216.328 2.383 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)COCCCC)C(C)(C)C ZINC000661760475 411870981 /nfs/dbraw/zinc/87/09/81/411870981.db2.gz VJRPQOPJJWOCKF-CYBMUJFWSA-N 1 0 243.391 2.451 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661776451 411882925 /nfs/dbraw/zinc/88/29/25/411882925.db2.gz ZTTTWFZSKYOBKH-UONOGXRCSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661777530 411884172 /nfs/dbraw/zinc/88/41/72/411884172.db2.gz HMANJYDFKPXJPA-ZIAGYGMSSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661777525 411884238 /nfs/dbraw/zinc/88/42/38/411884238.db2.gz HMANJYDFKPXJPA-KBPBESRZSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCCCC ZINC000662079271 411978562 /nfs/dbraw/zinc/97/85/62/411978562.db2.gz LYTLEMNSARCZGM-BETUJISGSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)c1cccn1C ZINC000662086686 411982229 /nfs/dbraw/zinc/98/22/29/411982229.db2.gz WBASBUNRQPNTSD-BETUJISGSA-N 1 0 244.338 2.391 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nncn1C ZINC000662090089 411985695 /nfs/dbraw/zinc/98/56/95/411985695.db2.gz IKBUKEOXFBDOIF-UTUOFQBUSA-N 1 0 232.331 2.059 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662145856 412007139 /nfs/dbraw/zinc/00/71/39/412007139.db2.gz ZICOCSCUZPUGPW-OLZOCXBDSA-N 1 0 211.349 2.293 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000662021327 411944132 /nfs/dbraw/zinc/94/41/32/411944132.db2.gz OCNWKPKZMIYCMU-OAHLLOKOSA-N 1 0 228.339 2.220 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030206 411945314 /nfs/dbraw/zinc/94/53/14/411945314.db2.gz LGPYRLOIHRPUAA-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)C[C@@H]1O ZINC000270839117 171097043 /nfs/dbraw/zinc/09/70/43/171097043.db2.gz DVOWMMIDNYRCIF-KYOSRNDESA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCOCCC#N ZINC000339009500 171127109 /nfs/dbraw/zinc/12/71/09/171127109.db2.gz KJKLAIOBHLHKMU-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000087011894 171185449 /nfs/dbraw/zinc/18/54/49/171185449.db2.gz MXWZYJHNXCBFID-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H](C)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191246675 171274911 /nfs/dbraw/zinc/27/49/11/171274911.db2.gz GSYKSLXBRKJKNG-NSHDSACASA-N 1 0 219.332 2.375 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1ccnc(C#N)c1 ZINC000218091627 171307699 /nfs/dbraw/zinc/30/76/99/171307699.db2.gz BFAGQZJGTRTSPM-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cnccc1C#N ZINC000218083435 171307895 /nfs/dbraw/zinc/30/78/95/171307895.db2.gz KBWGWYZBYAILGM-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C#N)c(C)n1 ZINC000292003793 171308837 /nfs/dbraw/zinc/30/88/37/171308837.db2.gz ROCBDRDHXQNZDV-NSHDSACASA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000309093961 171340999 /nfs/dbraw/zinc/34/09/99/171340999.db2.gz DFZYTSAKLQHPPZ-NSHDSACASA-N 1 0 202.301 2.489 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000362977896 171392285 /nfs/dbraw/zinc/39/22/85/171392285.db2.gz VNTCXMXEHNHOFS-FZMZJTMJSA-N 1 0 249.358 2.047 20 30 BEEDRO C=CC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662315166 412096832 /nfs/dbraw/zinc/09/68/32/412096832.db2.gz GPJDEJJQLALLPL-BETUJISGSA-N 1 0 207.317 2.065 20 30 BEEDRO C=CCC[N@H+]1C[C@H](C)O[C@@](C)(C(F)F)C1 ZINC000662357815 412122047 /nfs/dbraw/zinc/12/20/47/412122047.db2.gz GMBJKTPUCPKFLU-GXSJLCMTSA-N 1 0 219.275 2.307 20 30 BEEDRO C=CC[C@@]1(C(=O)NCC(CC)CC)CCC[NH2+]1 ZINC000662468287 412184695 /nfs/dbraw/zinc/18/46/95/412184695.db2.gz CCOPEQMTLMJJPK-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@]1(C(=O)N(CC)CC(C)C)CCC[NH2+]1 ZINC000662502385 412197421 /nfs/dbraw/zinc/19/74/21/412197421.db2.gz KRPVZILXTDPDBC-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cccc(F)c2)CCC[NH2+]1 ZINC000662431847 412168772 /nfs/dbraw/zinc/16/87/72/412168772.db2.gz ITIDEBNUFQYFAU-AWEZNQCLSA-N 1 0 248.301 2.463 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)CCCC[NH3+] ZINC000662602795 412236730 /nfs/dbraw/zinc/23/67/30/412236730.db2.gz RPFBUZGOJCDDPZ-CHWSQXEVSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000662630461 412250231 /nfs/dbraw/zinc/25/02/31/412250231.db2.gz JQTLVZSEAMKGDK-GFCCVEGCSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)C1 ZINC000662635815 412252884 /nfs/dbraw/zinc/25/28/84/412252884.db2.gz NKNOUBLKMHSLBP-UPJWGTAASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC1(NC(=O)C[C@H]2CCC[NH2+]2)CCCC1 ZINC000662888086 412336124 /nfs/dbraw/zinc/33/61/24/412336124.db2.gz DRMMJQJQIWOEDD-GFCCVEGCSA-N 1 0 236.359 2.134 20 30 BEEDRO C=CCC1(NC(=O)[C@@H](C)[NH2+]CCC)CCCC1 ZINC000662889107 412336186 /nfs/dbraw/zinc/33/61/86/412336186.db2.gz SCUFALSSVRDGBF-GFCCVEGCSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000662897309 412338537 /nfs/dbraw/zinc/33/85/37/412338537.db2.gz SEPAMXHYLVUMFW-AGIUHOORSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CCC(C)(C)[NH3+] ZINC000662954243 412353638 /nfs/dbraw/zinc/35/36/38/412353638.db2.gz TWIVDCWHBDRCKF-UHFFFAOYSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CC1([NH3+])CCC1 ZINC000662953953 412353807 /nfs/dbraw/zinc/35/38/07/412353807.db2.gz RSCRXTZKGKHGCM-UHFFFAOYSA-N 1 0 224.348 2.119 20 30 BEEDRO CCn1nccc1C[NH2+]Cc1cccc(C#N)c1 ZINC000125186549 172271280 /nfs/dbraw/zinc/27/12/80/172271280.db2.gz KUCKCQXWFNHCHT-UHFFFAOYSA-N 1 0 240.310 2.064 20 30 BEEDRO C[NH+](C)C[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000293203141 172496459 /nfs/dbraw/zinc/49/64/59/172496459.db2.gz XETDKIQLQBMCSF-LLVKDONJSA-N 1 0 247.317 2.085 20 30 BEEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cc2F)C1 ZINC000044538018 173041983 /nfs/dbraw/zinc/04/19/83/173041983.db2.gz HHLWWMCXTSMAGY-GFCCVEGCSA-N 1 0 247.317 2.451 20 30 BEEDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C#N)cc3)[C@@H]2C1 ZINC000272179437 173134009 /nfs/dbraw/zinc/13/40/09/173134009.db2.gz KAUOPOYFIDEQNI-UKRRQHHQSA-N 1 0 241.338 2.089 20 30 BEEDRO C[NH2+]C[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000071147867 173381299 /nfs/dbraw/zinc/38/12/99/173381299.db2.gz DSAKDXCYJGFZHG-SNVBAGLBSA-N 1 0 249.745 2.257 20 30 BEEDRO COC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000336614705 174029049 /nfs/dbraw/zinc/02/90/49/174029049.db2.gz KPPRSLGSCPNIIG-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO COCC(C)(C)C[NH2+]CCc1cccc(C#N)c1 ZINC000341478391 174071473 /nfs/dbraw/zinc/07/14/73/174071473.db2.gz HPYFHCLBUDMGER-UHFFFAOYSA-N 1 0 246.354 2.363 20 30 BEEDRO COCC1(C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000281916148 174103817 /nfs/dbraw/zinc/10/38/17/174103817.db2.gz GNPBAONNPRHTRW-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO COCCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000164474649 174182819 /nfs/dbraw/zinc/18/28/19/174182819.db2.gz XXEWWOBOCPAQJR-UHFFFAOYSA-N 1 0 222.288 2.058 20 30 BEEDRO COCCCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000117872755 174188998 /nfs/dbraw/zinc/18/89/98/174188998.db2.gz HYMCLQGYUHYCDZ-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000051401078 174219044 /nfs/dbraw/zinc/21/90/44/174219044.db2.gz VSSYCELQJCLDQH-UHFFFAOYSA-N 1 0 218.300 2.027 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000120714946 174219077 /nfs/dbraw/zinc/21/90/77/174219077.db2.gz YAPAVYUQOULLKX-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO COCCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000020142327 174250649 /nfs/dbraw/zinc/25/06/49/174250649.db2.gz WDDZUBYFYWHULQ-LLVKDONJSA-N 1 0 218.300 2.245 20 30 BEEDRO COCCC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358556482 174250663 /nfs/dbraw/zinc/25/06/63/174250663.db2.gz MBJYBGWGRMNXKP-SNVBAGLBSA-N 1 0 236.290 2.384 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000045035938 174406813 /nfs/dbraw/zinc/40/68/13/174406813.db2.gz UIZRDDJGPBTBNT-NSHDSACASA-N 1 0 218.300 2.073 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358588554 174460049 /nfs/dbraw/zinc/46/00/49/174460049.db2.gz LVQOXGKHQSSKOV-ZJUUUORDSA-N 1 0 236.290 2.383 20 30 BEEDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000341260153 174883748 /nfs/dbraw/zinc/88/37/48/174883748.db2.gz CEOUXIYOLAIYID-GJZGRUSLSA-N 1 0 244.338 2.463 20 30 BEEDRO COc1ccc(C[C@@H](C)[NH2+]C[C@H](C)C#N)cc1 ZINC000054180662 175115607 /nfs/dbraw/zinc/11/56/07/175115607.db2.gz BOPVVMHLYPAWTG-VXGBXAGGSA-N 1 0 232.327 2.375 20 30 BEEDRO COc1cc[nH+]c(NCc2nc(C#N)cs2)c1 ZINC000352832338 175365667 /nfs/dbraw/zinc/36/56/67/175365667.db2.gz FYMSTSQXBSPEGJ-UHFFFAOYSA-N 1 0 246.295 2.030 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001652362003 1173067062 /nfs/dbraw/zinc/06/70/62/1173067062.db2.gz ULQJBHOCOUELSH-WDEREUQCSA-N 1 0 213.321 2.082 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]Cc1cccc(C#N)c1 ZINC000295189121 175676656 /nfs/dbraw/zinc/67/66/56/175676656.db2.gz XBDHRDLEZZWXFF-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000336794982 175890802 /nfs/dbraw/zinc/89/08/02/175890802.db2.gz HAAONDVLCWRFQG-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1cn[nH]c1 ZINC000361753484 175896931 /nfs/dbraw/zinc/89/69/31/175896931.db2.gz JTCYVLFCWNFDBY-SECBINFHSA-N 1 0 244.273 2.271 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000187694345 176016491 /nfs/dbraw/zinc/01/64/91/176016491.db2.gz FAXKFGQFNLUCIT-NEPJUHHUSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286721558 176016507 /nfs/dbraw/zinc/01/65/07/176016507.db2.gz XHDJXESTYQFVOK-NILFDRSVSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1CO ZINC000305162691 176099858 /nfs/dbraw/zinc/09/98/58/176099858.db2.gz GAMQNJPWUMNLGL-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000309105642 176213440 /nfs/dbraw/zinc/21/34/40/176213440.db2.gz HTRMQEIMRIBWMJ-RKDXNWHRSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335552834 176236955 /nfs/dbraw/zinc/23/69/55/176236955.db2.gz DZOCKMDKTUWVQI-ZWNOBZJWSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1C[N@H+](CC#Cc2ccccc2)CCCO1 ZINC000191986221 176283929 /nfs/dbraw/zinc/28/39/29/176283929.db2.gz BSKLBWXWXUQLLP-CQSZACIVSA-N 1 0 229.323 2.149 20 30 BEEDRO C[C@@H]1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000092085382 176298373 /nfs/dbraw/zinc/29/83/73/176298373.db2.gz MSKNAKUBQSWEFO-JMSVASOKSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000191752680 176344789 /nfs/dbraw/zinc/34/47/89/176344789.db2.gz DFNZHXACTFSIKJ-BXUZGUMPSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]1CSCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190844914 176349814 /nfs/dbraw/zinc/34/98/14/176349814.db2.gz CLCVQCGQBQWDKG-JTQLQIEISA-N 1 0 236.340 2.336 20 30 BEEDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2C#N)C1 ZINC000335543157 176370007 /nfs/dbraw/zinc/37/00/07/176370007.db2.gz HYIKYMXYHRFZKI-CHWSQXEVSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000135467910 176396816 /nfs/dbraw/zinc/39/68/16/176396816.db2.gz BINSXPHZHXZIRI-ZWNOBZJWSA-N 1 0 200.285 2.304 20 30 BEEDRO C[C@H]([N@H+](C)Cc1cccc(C#N)c1)C(C)(C)O ZINC000289317414 176744480 /nfs/dbraw/zinc/74/44/80/176744480.db2.gz JTDYEXLQECKYFB-NSHDSACASA-N 1 0 232.327 2.149 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)C1CC1 ZINC000035142455 176876548 /nfs/dbraw/zinc/87/65/48/176876548.db2.gz KCONTGZLALSFPR-JTQLQIEISA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353677922 177001393 /nfs/dbraw/zinc/00/13/93/177001393.db2.gz MGXBVRPJFYJGRS-PGUXBMHVSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](CCO)CC1CC1 ZINC000352490470 177035829 /nfs/dbraw/zinc/03/58/29/177035829.db2.gz IWGPCBKKWOWEHI-GFCCVEGCSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CC(O)C[C@H](C)[N@H+]1Cc1ccc(C#N)cc1 ZINC000191277155 177065946 /nfs/dbraw/zinc/06/59/46/177065946.db2.gz FPZHISSKVMTFDG-ODOQXGPZSA-N 1 0 244.338 2.292 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCNc1cccnc1C#N ZINC000290490997 177075433 /nfs/dbraw/zinc/07/54/33/177075433.db2.gz JGCBSPSJUZPUIL-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]1CCC[N@H+](CCNc2cccc(C#N)n2)C1 ZINC000267165416 177097271 /nfs/dbraw/zinc/09/72/71/177097271.db2.gz BAAGPQQDXUJCCR-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135485051 177142410 /nfs/dbraw/zinc/14/24/10/177142410.db2.gz JMURRVSNTMFBNY-JOYOIKCWSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@H]1CCC[C@]1(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000292921395 177144541 /nfs/dbraw/zinc/14/45/41/177144541.db2.gz GFDCMKTVXVXNNW-WFASDCNBSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000299891255 177159519 /nfs/dbraw/zinc/15/95/19/177159519.db2.gz LDQHGMZNNLHWDT-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000335552885 177207415 /nfs/dbraw/zinc/20/74/15/177207415.db2.gz TUMWJPJBACCKNF-GXFFZTMASA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334263781 177288300 /nfs/dbraw/zinc/28/83/00/177288300.db2.gz WQVBSYWKICKZSC-GFCCVEGCSA-N 1 0 230.311 2.027 20 30 BEEDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000285582347 177294683 /nfs/dbraw/zinc/29/46/83/177294683.db2.gz UBWBQGAEWCNBNP-SWLSCSKDSA-N 1 0 244.338 2.320 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000135467928 177345777 /nfs/dbraw/zinc/34/57/77/177345777.db2.gz BINSXPHZHXZIRI-GXFFZTMASA-N 1 0 200.285 2.304 20 30 BEEDRO C[C@H]1C[C@H](C[NH3+])CN1c1cc(Cl)ccc1C#N ZINC000216211791 177362678 /nfs/dbraw/zinc/36/26/78/177362678.db2.gz QYQURWJOORQIBZ-VHSXEESVSA-N 1 0 249.745 2.385 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000162809463 487641410 /nfs/dbraw/zinc/64/14/10/487641410.db2.gz AWHYXKHPDAUEOB-LLVKDONJSA-N 1 0 244.338 2.027 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(COC)CC1 ZINC001652477038 1173090922 /nfs/dbraw/zinc/09/09/22/1173090922.db2.gz WQJUVNTXCAEPBR-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324977764 487643769 /nfs/dbraw/zinc/64/37/69/487643769.db2.gz QDQXNTPTYZWTIP-CYBMUJFWSA-N 1 0 209.333 2.357 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@@H]1CCC[C@H]1C ZINC000488059894 225346466 /nfs/dbraw/zinc/34/64/66/225346466.db2.gz HEZHDSCDJBSHIP-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000400627245 226348066 /nfs/dbraw/zinc/34/80/66/226348066.db2.gz QKLQBUUXQAALSQ-ZDUSSCGKSA-N 1 0 244.338 2.465 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CC#CC ZINC000895098370 583588594 /nfs/dbraw/zinc/58/85/94/583588594.db2.gz ZCFYOGZUZBWDRH-STQMWFEESA-N 1 0 209.333 2.095 20 30 BEEDRO CC[N@H+](CCn1ccnc1)[C@H](C)CCCC#N ZINC001172510064 974864849 /nfs/dbraw/zinc/86/48/49/974864849.db2.gz VADVIQHEOBSGFH-CYBMUJFWSA-N 1 0 234.347 2.287 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000680889871 487666234 /nfs/dbraw/zinc/66/62/34/487666234.db2.gz YCSUUNHVMGILAF-JTQLQIEISA-N 1 0 217.259 2.103 20 30 BEEDRO C=CCC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000183159838 487669026 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487795213 /nfs/dbraw/zinc/79/52/13/487795213.db2.gz GXLGPSYSTJYFRF-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C(C[NH2+]C[C@H](O)CSC)c1ccccc1 ZINC000591767192 487798523 /nfs/dbraw/zinc/79/85/23/487798523.db2.gz VUWMXYBKRVZCPP-ZDUSSCGKSA-N 1 0 237.368 2.013 20 30 BEEDRO CCC#C[C@@H](C)[N@H+]1CC=C(COC)CC1 ZINC000681472390 487799935 /nfs/dbraw/zinc/79/99/35/487799935.db2.gz UGSUQZDSJUCYGT-GFCCVEGCSA-N 1 0 207.317 2.067 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414297419 487802433 /nfs/dbraw/zinc/80/24/33/487802433.db2.gz HVUDWSXGBKANHN-AXFHLTTASA-N 1 0 233.302 2.479 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000309416916 487813045 /nfs/dbraw/zinc/81/30/45/487813045.db2.gz JJEXSRDYFUFYAT-LLVKDONJSA-N 1 0 224.304 2.226 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2nncn2CC)C1 ZINC000651664648 487813870 /nfs/dbraw/zinc/81/38/70/487813870.db2.gz XGALKULYCZXYMK-STQMWFEESA-N 1 0 248.374 2.175 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680529 487817182 /nfs/dbraw/zinc/81/71/82/487817182.db2.gz CGQNAABJMBAYSC-MNOVXSKESA-N 1 0 231.286 2.492 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000679680544 487817301 /nfs/dbraw/zinc/81/73/01/487817301.db2.gz CGQNAABJMBAYSC-WDEREUQCSA-N 1 0 231.286 2.492 20 30 BEEDRO C[C@H](N[C@@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498478 487819917 /nfs/dbraw/zinc/81/99/17/487819917.db2.gz NMXFXTATHQIWQX-SWLSCSKDSA-N 1 0 243.354 2.351 20 30 BEEDRO COCC#CC[N@@H+]1CCc2c(C)cc(C)cc2C1 ZINC000681602231 487821905 /nfs/dbraw/zinc/82/19/05/487821905.db2.gz PWHKMPVEXYBXBT-UHFFFAOYSA-N 1 0 243.350 2.311 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681605428 487822906 /nfs/dbraw/zinc/82/29/06/487822906.db2.gz ZXFIUKZYJPSGIL-STQMWFEESA-N 1 0 234.347 2.270 20 30 BEEDRO N#CCC[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000564864600 322944099 /nfs/dbraw/zinc/94/40/99/322944099.db2.gz RWSQWITXFJPNHH-UHFFFAOYSA-N 1 0 243.354 2.406 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)(C)O)C1 ZINC000651766827 487826019 /nfs/dbraw/zinc/82/60/19/487826019.db2.gz VSEWPVRVJXHOHJ-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@@H]([NH2+]CC[C@@H]1CCOC1)C(C)(C)C ZINC000309080186 527289771 /nfs/dbraw/zinc/28/97/71/527289771.db2.gz OHQXSNOWWMEVJL-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO C#CCOCC[NH2+][C@H](CCC)C1CCC1 ZINC000834761715 587766142 /nfs/dbraw/zinc/76/61/42/587766142.db2.gz SWVNKXZGGKEYHI-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625652781 487835541 /nfs/dbraw/zinc/83/55/41/487835541.db2.gz GHZRBGBPUUGDEP-DCAQKATOSA-N 1 0 233.302 2.147 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CC(=O)OC)c1ccncc1 ZINC000595482250 487867027 /nfs/dbraw/zinc/86/70/27/487867027.db2.gz ITISNUBTOAFCPW-AWEZNQCLSA-N 1 0 248.326 2.026 20 30 BEEDRO OC[C@H]1CCCCC[N@@H+]1CC#Cc1ccccc1 ZINC000156964064 487884717 /nfs/dbraw/zinc/88/47/17/487884717.db2.gz JNQJQJGJRSKGIV-MRXNPFEDSA-N 1 0 243.350 2.275 20 30 BEEDRO COCC#CC[NH+](CC(C)C)CC(C)C ZINC000677133263 487892470 /nfs/dbraw/zinc/89/24/70/487892470.db2.gz PIEKWLKDOJKMKE-UHFFFAOYSA-N 1 0 211.349 2.250 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccnn1CCC ZINC000386810755 487895479 /nfs/dbraw/zinc/89/54/79/487895479.db2.gz DNKGRMUCDWTWEP-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)c(F)c2)O1 ZINC000404152775 533700830 /nfs/dbraw/zinc/70/08/30/533700830.db2.gz SXCZBSDDQLOOBI-GWCFXTLKSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000428704662 487908279 /nfs/dbraw/zinc/90/82/79/487908279.db2.gz AABHFCKIASRMBP-TUAOUCFPSA-N 1 0 245.313 2.291 20 30 BEEDRO COCC#CC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000671253239 487909495 /nfs/dbraw/zinc/90/94/95/487909495.db2.gz ZOYNYOIBZRVNDT-UHFFFAOYSA-N 1 0 241.334 2.426 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671253764 487909633 /nfs/dbraw/zinc/90/96/33/487909633.db2.gz IINMCMCMMWROPZ-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC1([NH2+][C@H]2CCSC2)CCOCC1 ZINC000668552844 487924002 /nfs/dbraw/zinc/92/40/02/487924002.db2.gz UUNXHCWUMAGQRL-NSHDSACASA-N 1 0 227.373 2.207 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000556785294 322924303 /nfs/dbraw/zinc/92/43/03/322924303.db2.gz ZIJOALLLHZPXTL-UHFFFAOYSA-N 1 0 246.354 2.253 20 30 BEEDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000309620437 322964112 /nfs/dbraw/zinc/96/41/12/322964112.db2.gz DCQHYCPUWCIBQC-NEPJUHHUSA-N 1 0 215.300 2.172 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1cccc(C#N)c1 ZINC000245821263 323007638 /nfs/dbraw/zinc/00/76/38/323007638.db2.gz AFDQOPJQKBEQCC-ZLKJLUDKSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C[C@H]1CCCCN1Cc1nnc(C2CC2)o1 ZINC000562353650 323017597 /nfs/dbraw/zinc/01/75/97/323017597.db2.gz VDGRYEPNKOWSCD-NSHDSACASA-N 1 0 233.315 2.488 20 30 BEEDRO N#CCC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000400914546 323023144 /nfs/dbraw/zinc/02/31/44/323023144.db2.gz GKTRKDLNGZQGSZ-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000248520837 323023152 /nfs/dbraw/zinc/02/31/52/323023152.db2.gz REOIFGMBNYLBSG-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCCCC[N@H+]1CCN(CC)C[C@H]1C ZINC000562538834 323023768 /nfs/dbraw/zinc/02/37/68/323023768.db2.gz HLDXGTRNVNIPQB-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000562687925 323027572 /nfs/dbraw/zinc/02/75/72/323027572.db2.gz UBMVIVFBFQPCNF-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000248659133 323029727 /nfs/dbraw/zinc/02/97/27/323029727.db2.gz YNRZKAGRGOPPCQ-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO N#Cc1cnc(C[N@H+](C2CC2)C2CCCC2)nc1 ZINC000562821540 323031597 /nfs/dbraw/zinc/03/15/97/323031597.db2.gz OHEYJDBBNSQUAP-UHFFFAOYSA-N 1 0 242.326 2.255 20 30 BEEDRO CC(C)OCCCC[NH2+]C[C@H](C#N)CCC#N ZINC000569804917 323041184 /nfs/dbraw/zinc/04/11/84/323041184.db2.gz OOSCMQUGDOJZAD-ZDUSSCGKSA-N 1 0 237.347 2.225 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000570407729 323058732 /nfs/dbraw/zinc/05/87/32/323058732.db2.gz JZWDTBNWRRLFNZ-QWRGUYRKSA-N 1 0 210.321 2.226 20 30 BEEDRO CC#CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000160281796 323064633 /nfs/dbraw/zinc/06/46/33/323064633.db2.gz DUQGIVIAISYOGI-MRXNPFEDSA-N 1 0 243.350 2.343 20 30 BEEDRO C[C@H](C1CC1)[N@H+](Cc1ncc(C#N)cn1)C1CC1 ZINC000570667414 323066492 /nfs/dbraw/zinc/06/64/92/323066492.db2.gz MWOYNYABZCMRSQ-SNVBAGLBSA-N 1 0 242.326 2.111 20 30 BEEDRO COc1cc(F)cc(C[C@@H](C)[NH2+]CCC#N)c1 ZINC000570794717 323070567 /nfs/dbraw/zinc/07/05/67/323070567.db2.gz FVGIWWIBWNDSGL-SNVBAGLBSA-N 1 0 236.290 2.269 20 30 BEEDRO C=C(C)CC[NH2+]C1(CC(=O)OC)CCCC1 ZINC000336775391 323084955 /nfs/dbraw/zinc/08/49/55/323084955.db2.gz YWRUSQKTBIIXQW-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000313492840 323091984 /nfs/dbraw/zinc/09/19/84/323091984.db2.gz PMUCTNKZHPDDRT-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO CCc1ncc(C[NH+]2CCC(CC#N)CC2)cn1 ZINC000563389768 323121688 /nfs/dbraw/zinc/12/16/88/323121688.db2.gz ATOMVEDXLLVCLO-UHFFFAOYSA-N 1 0 244.342 2.165 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000309975430 323122855 /nfs/dbraw/zinc/12/28/55/323122855.db2.gz SJBFRGDEYDLGQM-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO CCn1cc(C[N@H+](C)CCC(C)(C)C#N)cn1 ZINC000538488706 323166516 /nfs/dbraw/zinc/16/65/16/323166516.db2.gz RJHVTJRZLHJYPY-UHFFFAOYSA-N 1 0 234.347 2.275 20 30 BEEDRO CCOCC[N@H+](CC)Cc1ccc(C#N)cc1 ZINC000070160824 323169907 /nfs/dbraw/zinc/16/99/07/323169907.db2.gz TWIIMNLISOLYAU-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]CC1(C#N)CCC1 ZINC000563719410 323175525 /nfs/dbraw/zinc/17/55/25/323175525.db2.gz ZPFKKVWBAOWHQA-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000134964625 323178258 /nfs/dbraw/zinc/17/82/58/323178258.db2.gz SIZJHCXRNWHQQY-GXTWGEPZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000285168158 323178557 /nfs/dbraw/zinc/17/85/57/323178557.db2.gz MTWYDWSDYIFDNV-LOWVWBTDSA-N 1 0 235.331 2.042 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000320667988 323182909 /nfs/dbraw/zinc/18/29/09/323182909.db2.gz MQUNWBQULATAPO-JTQLQIEISA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccoc1 ZINC000308976597 323183123 /nfs/dbraw/zinc/18/31/23/323183123.db2.gz GUZUERDUNLJILI-GHMZBOCLSA-N 1 0 209.289 2.115 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC[C@H]1C ZINC000328301635 323193219 /nfs/dbraw/zinc/19/32/19/323193219.db2.gz URFJBFKPXSGRLJ-KGLIPLIRSA-N 1 0 222.376 2.110 20 30 BEEDRO C[N@H+](CCCCCO)Cc1ccc(CC#N)cc1 ZINC000398963649 323195376 /nfs/dbraw/zinc/19/53/76/323195376.db2.gz AFNQQMSXDWEHMF-UHFFFAOYSA-N 1 0 246.354 2.347 20 30 BEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCCC(C)(C)C#N ZINC000399242541 323201305 /nfs/dbraw/zinc/20/13/05/323201305.db2.gz MQQWLYCJOHKTNZ-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1ccncn1 ZINC000396002504 323281661 /nfs/dbraw/zinc/28/16/61/323281661.db2.gz YCOYPBVFWMREBT-LLVKDONJSA-N 1 0 205.305 2.484 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)C1CCOCC1 ZINC000532627312 323281742 /nfs/dbraw/zinc/28/17/42/323281742.db2.gz POGBLNZFPFUKJU-UHFFFAOYSA-N 1 0 247.313 2.288 20 30 BEEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000230674319 323399128 /nfs/dbraw/zinc/39/91/28/323399128.db2.gz POSDLZHZWZOWIJ-UHFFFAOYSA-N 1 0 204.273 2.429 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(OCC)CC1 ZINC000677047935 487959249 /nfs/dbraw/zinc/95/92/49/487959249.db2.gz LBWSJWYLNOZRKK-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527905755 323715125 /nfs/dbraw/zinc/71/51/25/323715125.db2.gz RMLNNTHHUQXBCO-KXNHARMFSA-N 1 0 207.317 2.108 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1Cc2ccccc2NC1=O ZINC000528000756 323735730 /nfs/dbraw/zinc/73/57/30/323735730.db2.gz ODNJVSYUCYLLRO-RISCZKNCSA-N 1 0 244.338 2.494 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000121212501 324005196 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326383099 /nfs/dbraw/zinc/38/30/99/326383099.db2.gz VWNFTWDOIKUFIS-KGLIPLIRSA-N 1 0 245.326 2.000 20 30 BEEDRO COCC#CC[N@H+](C)C1CCCCCC1 ZINC000677132803 487979579 /nfs/dbraw/zinc/97/95/79/487979579.db2.gz RUBCJFDEZDRMDK-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(=O)oc2cc(C)ccc12 ZINC000192225969 487991751 /nfs/dbraw/zinc/99/17/51/487991751.db2.gz QABODBYHQWYTKC-UHFFFAOYSA-N 1 0 241.290 2.166 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172744914 974919443 /nfs/dbraw/zinc/91/94/43/974919443.db2.gz WOCXYQGYXJJTQE-OCCSQVGLSA-N 1 0 239.359 2.498 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1cccc(C#N)c1 ZINC000129606078 488024492 /nfs/dbraw/zinc/02/44/92/488024492.db2.gz NXUDIXZRGXVJMD-HONMWMINSA-N 1 0 244.338 2.368 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCCCn1cccn1 ZINC000490853139 488025709 /nfs/dbraw/zinc/02/57/09/488025709.db2.gz QREHQGJARRAPSI-UHFFFAOYSA-N 1 0 243.354 2.012 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCO[C@@H](CC)C1 ZINC000490934454 488027937 /nfs/dbraw/zinc/02/79/37/488027937.db2.gz IDTSCHRFRJPGBA-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCOc1ccc(C)cc1 ZINC000677475904 488045841 /nfs/dbraw/zinc/04/58/41/488045841.db2.gz ILLGLVXYQHJTIO-HNNXBMFYSA-N 1 0 249.354 2.243 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCc1ccc(F)cc1 ZINC000677478115 488047939 /nfs/dbraw/zinc/04/79/39/488047939.db2.gz NTXVIWGHPISKJV-AWEZNQCLSA-N 1 0 237.318 2.237 20 30 BEEDRO C=CCCCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661829356 488056445 /nfs/dbraw/zinc/05/64/45/488056445.db2.gz YQGXFPAGRVMVAZ-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401816476 488068729 /nfs/dbraw/zinc/06/87/29/488068729.db2.gz XOJGZYUKKFJHFZ-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000355066881 488076015 /nfs/dbraw/zinc/07/60/15/488076015.db2.gz XGOINSUSEZEFSJ-OAHLLOKOSA-N 1 0 246.354 2.249 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)CC(C)(C)[NH3+] ZINC000236821880 488090038 /nfs/dbraw/zinc/09/00/38/488090038.db2.gz JDNAOTSAKKAWCI-UHFFFAOYSA-N 1 0 246.354 2.329 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](C(F)(F)F)C1 ZINC000677716023 488099138 /nfs/dbraw/zinc/09/91/38/488099138.db2.gz IVSOYMLPAGIDMP-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667727572 488103334 /nfs/dbraw/zinc/10/33/34/488103334.db2.gz BTUIARQKCBABHE-SNVBAGLBSA-N 1 0 233.315 2.231 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680111206 487537104 /nfs/dbraw/zinc/53/71/04/487537104.db2.gz DDYNCYKOPHTKJK-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662029865 488113614 /nfs/dbraw/zinc/11/36/14/488113614.db2.gz CHWSGKFAHIDNOE-HOTGVXAUSA-N 1 0 241.334 2.006 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CC1CCC1 ZINC000321098341 488127497 /nfs/dbraw/zinc/12/74/97/488127497.db2.gz LUHCETVSJCALAF-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000677818451 488133473 /nfs/dbraw/zinc/13/34/73/488133473.db2.gz OHYLYDKBDNNUHX-HNNXBMFYSA-N 1 0 243.350 2.434 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2cccc(C)c2C1 ZINC000683226566 488133617 /nfs/dbraw/zinc/13/36/17/488133617.db2.gz IFCVWWIZEQSYHM-HNNXBMFYSA-N 1 0 231.339 2.290 20 30 BEEDRO C=CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000161965448 487530237 /nfs/dbraw/zinc/53/02/37/487530237.db2.gz MOKHAAMSWGESKA-ZDUSSCGKSA-N 1 0 232.327 2.159 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000168609137 487530334 /nfs/dbraw/zinc/53/03/34/487530334.db2.gz QHTBPGBVIXQCQE-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCOCCO ZINC000657973183 487497754 /nfs/dbraw/zinc/49/77/54/487497754.db2.gz VNGDIAVATJCCDC-KBPBESRZSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cnccc1C ZINC000679943505 487499864 /nfs/dbraw/zinc/49/98/64/487499864.db2.gz WKDNQDHYWBHKSZ-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[NH2+]Cc1cc(OC)ccc1OC ZINC000168508817 487514454 /nfs/dbraw/zinc/51/44/54/487514454.db2.gz HVBSVWPHBBJHLT-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@](C)(c2ccccc2)C1 ZINC000677819934 487516917 /nfs/dbraw/zinc/51/69/17/487516917.db2.gz DIXBQKUTGZBTLY-INIZCTEOSA-N 1 0 243.350 2.300 20 30 BEEDRO C=CCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000168530524 487517319 /nfs/dbraw/zinc/51/73/19/487517319.db2.gz RIZOJVKKEKMWFQ-UHFFFAOYSA-N 1 0 207.321 2.304 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](C)O ZINC000657880335 488161572 /nfs/dbraw/zinc/16/15/72/488161572.db2.gz ADBOIENVQDQIMG-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000680091772 487534930 /nfs/dbraw/zinc/53/49/30/487534930.db2.gz OIDPYVNLFVBBNJ-GFCCVEGCSA-N 1 0 209.333 2.004 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000685611857 487564736 /nfs/dbraw/zinc/56/47/36/487564736.db2.gz LXLAVDGYTFKTNQ-KGLIPLIRSA-N 1 0 231.343 2.240 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cncn1 ZINC000657857016 488150755 /nfs/dbraw/zinc/15/07/55/488150755.db2.gz QCZUVTDOCFEIPZ-OLZOCXBDSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)(C)O ZINC000657878651 488159535 /nfs/dbraw/zinc/15/95/35/488159535.db2.gz HMGXADZESXUHBX-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000683524755 488184917 /nfs/dbraw/zinc/18/49/17/488184917.db2.gz LKSPIONXTZCFHU-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccsc2C1 ZINC000678049651 488186567 /nfs/dbraw/zinc/18/65/67/488186567.db2.gz OBOMTTVPNJNUJJ-LLVKDONJSA-N 1 0 223.341 2.043 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668100369 488198210 /nfs/dbraw/zinc/19/82/10/488198210.db2.gz KQNXGSWEZYHBCO-XQQFMLRXSA-N 1 0 209.333 2.498 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccsc1 ZINC000308614744 488212612 /nfs/dbraw/zinc/21/26/12/488212612.db2.gz RNJQACKZZAWNCR-SNVBAGLBSA-N 1 0 209.314 2.049 20 30 BEEDRO C=CCCCCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000683780624 488219874 /nfs/dbraw/zinc/21/98/74/488219874.db2.gz MOSOCIUMPVLGRA-UHFFFAOYSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000683782737 488221254 /nfs/dbraw/zinc/22/12/54/488221254.db2.gz YPHVLMJCKCHWGJ-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668214696 488228448 /nfs/dbraw/zinc/22/84/48/488228448.db2.gz KBUZLHHWFPIHLA-VXGBXAGGSA-N 1 0 209.333 2.356 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000678797162 488284413 /nfs/dbraw/zinc/28/44/13/488284413.db2.gz BKRFQOXUIZRSNS-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ncccc1CC ZINC000679576109 488358975 /nfs/dbraw/zinc/35/89/75/488358975.db2.gz HTURUYITNSQBCU-LBPRGKRZSA-N 1 0 234.343 2.497 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@]2(CC[C@H](C)C2)C1 ZINC000679835817 488367633 /nfs/dbraw/zinc/36/76/33/488367633.db2.gz SJSFJWPMTPTMHH-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@H](C)N(C)C[C@H]1CCCC[N@H+]1C(C)C ZINC000491792589 490119606 /nfs/dbraw/zinc/11/96/06/490119606.db2.gz GPKQAYODCBQEDI-UONOGXRCSA-N 1 0 222.376 2.203 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@@H](C)C2CC2)nn1 ZINC000653486531 490144556 /nfs/dbraw/zinc/14/45/56/490144556.db2.gz AOWGILKPIYWYTQ-NSHDSACASA-N 1 0 234.347 2.085 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(F)c1F ZINC000303551844 490167464 /nfs/dbraw/zinc/16/74/64/490167464.db2.gz RSBRJLJKSFSLHG-UHFFFAOYSA-N 1 0 227.254 2.257 20 30 BEEDRO C[C@@H](NCc1cc(C#N)ccc1F)c1cn[nH]c1 ZINC000358792362 490268200 /nfs/dbraw/zinc/26/82/00/490268200.db2.gz NMTLYABEVXQEBB-SECBINFHSA-N 1 0 244.273 2.271 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC[C@H](C)O ZINC000657988064 490299319 /nfs/dbraw/zinc/29/93/19/490299319.db2.gz ADBOIENVQDQIMG-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cncnc2OC)C1 ZINC000668493451 490333403 /nfs/dbraw/zinc/33/34/03/490333403.db2.gz NUXMLFUZHNLZTE-LBPRGKRZSA-N 1 0 247.342 2.273 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CO)C1CC1 ZINC000131076340 490349404 /nfs/dbraw/zinc/34/94/04/490349404.db2.gz BIWIDBGMYUSCPC-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@H]1CCNC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516775 490394546 /nfs/dbraw/zinc/39/45/46/490394546.db2.gz UQGRXOGMJHCCBU-AHPWVWPOSA-N 1 0 235.375 2.046 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(OCC)cc1 ZINC000301762396 490584185 /nfs/dbraw/zinc/58/41/85/490584185.db2.gz QVHHXFVQKZUJSX-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000222615445 490650563 /nfs/dbraw/zinc/65/05/63/490650563.db2.gz HXIJYDWPDCGRCA-DJLDLDEBSA-N 1 0 225.254 2.100 20 30 BEEDRO CO[C@@H]1CCC[N@H+](C[C@H](C)CCC#N)CC1 ZINC000602604184 491087623 /nfs/dbraw/zinc/08/76/23/491087623.db2.gz YCCBOUUWTSMFGB-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)ccc1C#N ZINC000335775877 491125323 /nfs/dbraw/zinc/12/53/23/491125323.db2.gz DRVUPOPNDDMCMK-IUODEOHRSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000091590178 491131078 /nfs/dbraw/zinc/13/10/78/491131078.db2.gz XVABXPJLPTZPFI-YPMHNXCESA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cn(C)nn1 ZINC000310026854 491160285 /nfs/dbraw/zinc/16/02/85/491160285.db2.gz PUEYXDHXYXMWFX-LLVKDONJSA-N 1 0 222.336 2.040 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCc2cccnc21 ZINC000310172244 491160654 /nfs/dbraw/zinc/16/06/54/491160654.db2.gz PYIDQOVACXHBNX-CYBMUJFWSA-N 1 0 232.327 2.251 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC001172776186 974938672 /nfs/dbraw/zinc/93/86/72/974938672.db2.gz JBDVISATPREFRP-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000358301689 535726431 /nfs/dbraw/zinc/72/64/31/535726431.db2.gz QWVJWGSDZOCYKJ-NEPJUHHUSA-N 1 0 247.342 2.303 20 30 BEEDRO CCC[C@]1(CO)CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339206712 535769128 /nfs/dbraw/zinc/76/91/28/535769128.db2.gz WWEMVNOMDZBJTE-RDBSUJKOSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)[C@H]1CCCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779798144 582734930 /nfs/dbraw/zinc/73/49/30/582734930.db2.gz MSRBSXJBKMSJCF-GHMZBOCLSA-N 1 0 236.363 2.126 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1coc2ccccc12 ZINC000184285329 534317072 /nfs/dbraw/zinc/31/70/72/534317072.db2.gz IGMLXVZJJXVEOM-LBPRGKRZSA-N 1 0 231.295 2.459 20 30 BEEDRO C=CC[C@@H]1[N@H+](C[C@@H](C)O)CCCC1(C)C ZINC000337254579 534323846 /nfs/dbraw/zinc/32/38/46/534323846.db2.gz SMSVANPBTANEOC-NEPJUHHUSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccnn1C ZINC000280912394 534325974 /nfs/dbraw/zinc/32/59/74/534325974.db2.gz SDVUBKSRXAKRLU-DYEKYZERSA-N 1 0 249.358 2.052 20 30 BEEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)Cn1cccn1 ZINC000569328030 518177486 /nfs/dbraw/zinc/17/74/86/518177486.db2.gz YSUJBQUJVSOMPB-ZDUSSCGKSA-N 1 0 248.374 2.439 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCCC(F)(F)C1)NC1CC1 ZINC000261837804 536304722 /nfs/dbraw/zinc/30/47/22/536304722.db2.gz OWFHZSINHPSTQS-SECBINFHSA-N 1 0 245.317 2.139 20 30 BEEDRO CNC(=[NH2+])NCC1(c2cccc(C)c2)CCCC1 ZINC000264252715 536304565 /nfs/dbraw/zinc/30/45/65/536304565.db2.gz HPGNBYVIQUIWLQ-UHFFFAOYSA-N 1 0 245.370 2.341 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292996806 534353143 /nfs/dbraw/zinc/35/31/43/534353143.db2.gz NKSIIUXPQBLQBH-VIFPVBQESA-N 1 0 229.274 2.202 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000309743619 534356900 /nfs/dbraw/zinc/35/69/00/534356900.db2.gz IMJNTBZUEVQRTC-KBPBESRZSA-N 1 0 222.376 2.439 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000341442600 534354012 /nfs/dbraw/zinc/35/40/12/534354012.db2.gz SMBAMFVZXGQJMF-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)C1CC1 ZINC000308824954 534357870 /nfs/dbraw/zinc/35/78/70/534357870.db2.gz DHWRXDOHIQZNJX-GVXVVHGQSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](O)C(F)(F)F ZINC000336730652 534357098 /nfs/dbraw/zinc/35/70/98/534357098.db2.gz DTSBZQBHTAOGGF-GUBZILKMSA-N 1 0 239.281 2.490 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCC[C@@H]1O ZINC000305691140 536314480 /nfs/dbraw/zinc/31/44/80/536314480.db2.gz ROLNYPOWFVAVPF-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000348710551 534357574 /nfs/dbraw/zinc/35/75/74/534357574.db2.gz ZXUFBTOYVGOMLX-KCQAQPDRSA-N 1 0 248.370 2.348 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CN(C(C)=O)C1CC1 ZINC000328622636 518604010 /nfs/dbraw/zinc/60/40/10/518604010.db2.gz BKKZKAMROOGTAJ-AWEZNQCLSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(CC)C[N@H+](C)CC(=O)NCc1ccccc1 ZINC000358613785 534370543 /nfs/dbraw/zinc/37/05/43/534370543.db2.gz LHOQYPZIQSJZNH-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=C(CC)C[N@H+](C)CCCn1ccnc1 ZINC000341157153 534370810 /nfs/dbraw/zinc/37/08/10/534370810.db2.gz IKEIPBJQSYWOTE-UHFFFAOYSA-N 1 0 207.321 2.171 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1CC ZINC000102232195 518710781 /nfs/dbraw/zinc/71/07/81/518710781.db2.gz XMDBXXDNGCAQLL-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C=C(CC)C[N@H+](CCO)Cc1ccccc1OC ZINC000358513333 534377227 /nfs/dbraw/zinc/37/72/27/534377227.db2.gz UINLGZXZUNZCBH-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000281438861 534380742 /nfs/dbraw/zinc/38/07/42/534380742.db2.gz CQQOHEMHIDMWDE-JQWIXIFHSA-N 1 0 207.321 2.425 20 30 BEEDRO C=C(CC)C[NH+]1CCC(CC)(CO)CC1 ZINC000358812516 534382784 /nfs/dbraw/zinc/38/27/84/534382784.db2.gz COEMQIVRGNJWIA-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C=C(CC)C[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000358490938 534382794 /nfs/dbraw/zinc/38/27/94/534382794.db2.gz MYNPFGDBDQSAGE-LBPRGKRZSA-N 1 0 237.343 2.228 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000358746782 534385357 /nfs/dbraw/zinc/38/53/57/534385357.db2.gz QXJCAXWOAWOXMY-UHFFFAOYSA-N 1 0 232.318 2.225 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000358516213 534385712 /nfs/dbraw/zinc/38/57/12/534385712.db2.gz YWGRJFZMHAVOEH-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000358500830 534389102 /nfs/dbraw/zinc/38/91/02/534389102.db2.gz QJVIPHKKMZNDTM-VHSXEESVSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2ccc(O)cc2)CC1 ZINC000358624473 534391197 /nfs/dbraw/zinc/39/11/97/534391197.db2.gz LKPKGHWHWSFNGH-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000355379986 534394991 /nfs/dbraw/zinc/39/49/91/534394991.db2.gz NDEDHOQEUFHBLH-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](n2cc(C)cn2)C1 ZINC000352410587 534400328 /nfs/dbraw/zinc/40/03/28/534400328.db2.gz RGZKPTNXRSOXCJ-ZDUSSCGKSA-N 1 0 219.332 2.405 20 30 BEEDRO C=C(CC)C[N@H+]1CC[C@H](OCCOCC)C1 ZINC000358621663 534398438 /nfs/dbraw/zinc/39/84/38/534398438.db2.gz ZACLUOUWRSCISH-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000341264167 534398869 /nfs/dbraw/zinc/39/88/69/534398869.db2.gz GUWTUFMHHQDIHJ-LBPRGKRZSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000351600699 534407355 /nfs/dbraw/zinc/40/73/55/534407355.db2.gz DQNCUZJXBOZLAN-PKXJPQMGSA-N 1 0 235.302 2.366 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371066489 534439670 /nfs/dbraw/zinc/43/96/70/534439670.db2.gz SGEHWWMTWCJTJX-GFCCVEGCSA-N 1 0 229.751 2.487 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261599722 534446444 /nfs/dbraw/zinc/44/64/44/534446444.db2.gz ZZASABPVEACAEH-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC000345266688 534456200 /nfs/dbraw/zinc/45/62/00/534456200.db2.gz WICTUOHIJJDSDF-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CCCCCCCCC(=O)N[C@H](C)C[NH3+] ZINC000114576681 519972461 /nfs/dbraw/zinc/97/24/61/519972461.db2.gz BXHOOOYKRFNKQY-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO C=C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283960791 534459669 /nfs/dbraw/zinc/45/96/69/534459669.db2.gz LQAMVGKFTSDBHW-UHFFFAOYSA-N 1 0 241.294 2.127 20 30 BEEDRO C=C1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000336403427 534466503 /nfs/dbraw/zinc/46/65/03/534466503.db2.gz XJDKSQBUHYQZPD-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000338942322 534507346 /nfs/dbraw/zinc/50/73/46/534507346.db2.gz LAVQNHKKKZVLDH-SECBINFHSA-N 1 0 237.299 2.293 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000119340963 534512758 /nfs/dbraw/zinc/51/27/58/534512758.db2.gz OTKOKHISIPWNEI-TZMCWYRMSA-N 1 0 219.328 2.408 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(OCCC)c1 ZINC000352447725 534539179 /nfs/dbraw/zinc/53/91/79/534539179.db2.gz NVEMWTSHCPQJGS-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000352473467 534539288 /nfs/dbraw/zinc/53/92/88/534539288.db2.gz VBIJTYOTOTVTEI-AWEZNQCLSA-N 1 0 247.338 2.112 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@H](C)CCc1ccccc1 ZINC000352472746 534539422 /nfs/dbraw/zinc/53/94/22/534539422.db2.gz JMUCCJBMCLRHKM-HIFRSBDPSA-N 1 0 233.355 2.392 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000356898201 534540365 /nfs/dbraw/zinc/54/03/65/534540365.db2.gz JLXKPINJZNRHBR-LBPRGKRZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000340306423 534541141 /nfs/dbraw/zinc/54/11/41/534541141.db2.gz FWNFRKKBLWZOFP-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])NC1CCCC1 ZINC000261540662 534542108 /nfs/dbraw/zinc/54/21/08/534542108.db2.gz AIGVDBMVHHTBRK-UHFFFAOYSA-N 1 0 223.364 2.436 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](CC)Cn1cncn1 ZINC000340430200 534552407 /nfs/dbraw/zinc/55/24/07/534552407.db2.gz QJBURJCWZUSENN-LBPRGKRZSA-N 1 0 236.363 2.249 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCc1cnn(C)c1 ZINC000348166396 534558944 /nfs/dbraw/zinc/55/89/44/534558944.db2.gz BQRBDDZBUAFMOE-CYBMUJFWSA-N 1 0 219.332 2.003 20 30 BEEDRO C=CCC(CC=C)C(=O)NC1CCC([NH3+])CC1 ZINC000237784007 534563655 /nfs/dbraw/zinc/56/36/55/534563655.db2.gz UBFQIKPNVWXOIT-UHFFFAOYSA-N 1 0 236.359 2.141 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC(C)(C)[NH+](C)C ZINC000121280060 534564609 /nfs/dbraw/zinc/56/46/09/534564609.db2.gz KGDPKPHNOXMZJS-UHFFFAOYSA-N 1 0 238.375 2.211 20 30 BEEDRO CCNC(NCCCC(C)(C)COC)=[NH+]CC ZINC000849028843 582832466 /nfs/dbraw/zinc/83/24/66/582832466.db2.gz ZHVLVTKBLZSBGI-UHFFFAOYSA-N 1 0 243.395 2.014 20 30 BEEDRO C=CCC1(CNC2=[NH+]C[C@@H](C)N2)CCCC1 ZINC000263174247 534595867 /nfs/dbraw/zinc/59/58/67/534595867.db2.gz SMDTVWDAIIGFGU-LLVKDONJSA-N 1 0 221.348 2.060 20 30 BEEDRO C=CCCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357109925 534614289 /nfs/dbraw/zinc/61/42/89/534614289.db2.gz JNMFCBYLVCAUEK-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000175528892 534652521 /nfs/dbraw/zinc/65/25/21/534652521.db2.gz NVICTOJLGIGMPV-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCC(=O)NCC[N@@H+](CC)C(C)C ZINC000359203273 534658075 /nfs/dbraw/zinc/65/80/75/534658075.db2.gz WHDZLIHUQSUJAQ-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000362611690 534661802 /nfs/dbraw/zinc/66/18/02/534661802.db2.gz DXYIOLCEIOODBX-NSHDSACASA-N 1 0 232.327 2.053 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000121873952 534676190 /nfs/dbraw/zinc/67/61/90/534676190.db2.gz SJFKDAMNTNEKEZ-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000336737126 534683642 /nfs/dbraw/zinc/68/36/42/534683642.db2.gz JDGHGVLEMSTMMG-GXSJLCMTSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccccc1OC ZINC000353566578 534684457 /nfs/dbraw/zinc/68/44/57/534684457.db2.gz MKCWCUPXLRHWEV-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCn2ccnc21 ZINC000294245177 534694813 /nfs/dbraw/zinc/69/48/13/534694813.db2.gz WHSYRVYZZIOBSQ-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C=CCCC[N@@H+](C)CCC(=O)Nc1cccnc1 ZINC000361834019 534705855 /nfs/dbraw/zinc/70/58/55/534705855.db2.gz RBJLZGVNQBIXOI-UHFFFAOYSA-N 1 0 247.342 2.308 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253096985 534708392 /nfs/dbraw/zinc/70/83/92/534708392.db2.gz RDGLDBGTNIVCJZ-RRFJBIMHSA-N 1 0 235.371 2.415 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000369555375 534722353 /nfs/dbraw/zinc/72/23/53/534722353.db2.gz BTMDFKQJWJWLDB-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000352884147 534722386 /nfs/dbraw/zinc/72/23/86/534722386.db2.gz LGZDYOYQFFULLW-SLEUVZQESA-N 1 0 229.389 2.184 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000360558150 534719511 /nfs/dbraw/zinc/71/95/11/534719511.db2.gz YQDPXUPHGVUZHI-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000366356459 534720448 /nfs/dbraw/zinc/72/04/48/534720448.db2.gz QTEWAFULVHVKFI-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000248888364 534722315 /nfs/dbraw/zinc/72/23/15/534722315.db2.gz YERPFRJEJIBGPL-AVGNSLFASA-N 1 0 237.343 2.226 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](CC)[S@](=O)[C@@H](C)C1 ZINC000352884148 534723322 /nfs/dbraw/zinc/72/33/22/534723322.db2.gz LGZDYOYQFFULLW-YWPYICTPSA-N 1 0 229.389 2.184 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](COC)C1 ZINC000340905321 534755820 /nfs/dbraw/zinc/75/58/20/534755820.db2.gz YKKFSUJHKQQBJL-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000344070394 534758344 /nfs/dbraw/zinc/75/83/44/534758344.db2.gz RKFWNIVATPJDTK-FQUUOJAGSA-N 1 0 223.360 2.434 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)CCC ZINC000342719378 534770125 /nfs/dbraw/zinc/77/01/25/534770125.db2.gz ISZOCIIGMAMANL-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CC(C)C)C(=O)OCC ZINC000338544292 534771221 /nfs/dbraw/zinc/77/12/21/534771221.db2.gz ZBCNUJAHNMILGH-GFCCVEGCSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(=O)NC(C)(C)C)C1CC1 ZINC000120019101 534796147 /nfs/dbraw/zinc/79/61/47/534796147.db2.gz QCNKFHMJJBPMON-GFCCVEGCSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCC2 ZINC000121030473 534815861 /nfs/dbraw/zinc/81/58/61/534815861.db2.gz BHDZJBMKJUBWGO-NEPJUHHUSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000120145064 534822374 /nfs/dbraw/zinc/82/23/74/534822374.db2.gz YMNGOYQUPAKCSX-CHWSQXEVSA-N 1 0 236.359 2.060 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(OC(C)C)cc1 ZINC000264057998 534842950 /nfs/dbraw/zinc/84/29/50/534842950.db2.gz BQTUFKXEAHHZAC-UHFFFAOYSA-N 1 0 247.342 2.064 20 30 BEEDRO C=CCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000261734182 534849805 /nfs/dbraw/zinc/84/98/05/534849805.db2.gz MCBSTCLJEPKQSA-CYBMUJFWSA-N 1 0 236.746 2.472 20 30 BEEDRO C=CCNC(=[NH2+])NCC1CCC(C)(C)CC1 ZINC000261667976 534844769 /nfs/dbraw/zinc/84/47/69/534844769.db2.gz CMJJSZDYJCSNKL-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO C=CCN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261739309 534848823 /nfs/dbraw/zinc/84/88/23/534848823.db2.gz KLKCLGRBMJUFMB-ZDUSSCGKSA-N 1 0 236.746 2.472 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cc(C)cc(C)c1 ZINC000182902194 534859154 /nfs/dbraw/zinc/85/91/54/534859154.db2.gz BKUWGCNUTBRBOL-CYBMUJFWSA-N 1 0 246.354 2.256 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000182617288 534859263 /nfs/dbraw/zinc/85/92/63/534859263.db2.gz WBPHUEJMUIFURL-CYBMUJFWSA-N 1 0 246.354 2.256 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1ccco1 ZINC000347966258 534873346 /nfs/dbraw/zinc/87/33/46/534873346.db2.gz MGCJSHMYGSHFDH-UHFFFAOYSA-N 1 0 209.289 2.304 20 30 BEEDRO C=CCOCCC[N@@H+](CC)Cc1ccncc1 ZINC000348059138 534874880 /nfs/dbraw/zinc/87/48/80/534874880.db2.gz VXNGJMSCXYJZLA-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO C=CCOCCC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000348053386 534874940 /nfs/dbraw/zinc/87/49/40/534874940.db2.gz UVWXJUCNCBLAME-CYBMUJFWSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CCOCCC[N@@H+](CC)C[C@H](C)C#N ZINC000347968960 534875048 /nfs/dbraw/zinc/87/50/48/534875048.db2.gz RZOSHQPPAPWSAQ-GFCCVEGCSA-N 1 0 210.321 2.061 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000348057257 534875537 /nfs/dbraw/zinc/87/55/37/534875537.db2.gz SZAWQCYZLVUAFF-OAHLLOKOSA-N 1 0 249.354 2.292 20 30 BEEDRO C=CCOCCC[NH2+][C@H](COC)c1ccco1 ZINC000348047345 534876262 /nfs/dbraw/zinc/87/62/62/534876262.db2.gz KFKQVNDXOPERKW-GFCCVEGCSA-N 1 0 239.315 2.149 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000339135316 534877484 /nfs/dbraw/zinc/87/74/84/534877484.db2.gz RXDAFSLLALTJOJ-KBPBESRZSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000339113701 534877560 /nfs/dbraw/zinc/87/75/60/534877560.db2.gz JVDIRVRTIRUJOR-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@H]1CCC[C@H]1C ZINC000339130801 534877661 /nfs/dbraw/zinc/87/76/61/534877661.db2.gz APIFWGLIBKXYFQ-KGLIPLIRSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000339096336 534877909 /nfs/dbraw/zinc/87/79/09/534877909.db2.gz HIMGGKPILSCUHO-AWEZNQCLSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCOCC[N@@H+]1CCCC2(CCC2)C1 ZINC000339141363 534878134 /nfs/dbraw/zinc/87/81/34/534878134.db2.gz PMTDDKRMUKTTDA-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCOCC[NH+]1CCC(OCCCC)CC1 ZINC000339011219 534878231 /nfs/dbraw/zinc/87/82/31/534878231.db2.gz UFDOMBUGLWBRLK-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339682650 534879490 /nfs/dbraw/zinc/87/94/90/534879490.db2.gz KVGADBPIYIZNDB-ZDUSSCGKSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000339207947 534879531 /nfs/dbraw/zinc/87/95/31/534879531.db2.gz MWBIAOAEYMTXDC-MNOVXSKESA-N 1 0 231.286 2.166 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000116862749 534886680 /nfs/dbraw/zinc/88/66/80/534886680.db2.gz DALJUBMIAQQDOU-GFCCVEGCSA-N 1 0 246.354 2.443 20 30 BEEDRO CC#CC[N@@H+](CCO)C1CCC(CC)CC1 ZINC000488211099 526363055 /nfs/dbraw/zinc/36/30/55/526363055.db2.gz DVKJCOJXOHQBRN-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000495513309 526626358 /nfs/dbraw/zinc/62/63/58/526626358.db2.gz KKBCISSFOLUXBR-NEPJUHHUSA-N 1 0 240.347 2.019 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000491644682 526654109 /nfs/dbraw/zinc/65/41/09/526654109.db2.gz KSOABCAGEHWCSC-UHFFFAOYSA-N 1 0 223.360 2.271 20 30 BEEDRO C=C(C)COCC[NH2+]C/C=C/c1ccncc1 ZINC000487282383 526654492 /nfs/dbraw/zinc/65/44/92/526654492.db2.gz VHYXRYHFWILZTC-ONEGZZNKSA-N 1 0 232.327 2.277 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1ccncc1C ZINC000491638804 526656331 /nfs/dbraw/zinc/65/63/31/526656331.db2.gz WIECECKNVMWMDB-UHFFFAOYSA-N 1 0 216.328 2.276 20 30 BEEDRO C#CCNC(=[NH2+])Nc1c(CC)cccc1CC ZINC000303786026 526663070 /nfs/dbraw/zinc/66/30/70/526663070.db2.gz QXRUBLOKEFHQNX-UHFFFAOYSA-N 1 0 229.327 2.171 20 30 BEEDRO C#CC[N@@H+](CCCCO)[C@H]1CCc2ccccc21 ZINC000303402620 526900865 /nfs/dbraw/zinc/90/08/65/526900865.db2.gz NHDKHQYRRIQOOX-INIZCTEOSA-N 1 0 243.350 2.382 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000173655218 527029557 /nfs/dbraw/zinc/02/95/57/527029557.db2.gz TZMZWTVKVJFVNB-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)CC1CC[NH+](C)CC1 ZINC000487672186 527037075 /nfs/dbraw/zinc/03/70/75/527037075.db2.gz GRDDVGZDMSWPOV-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCC[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000488168801 527133989 /nfs/dbraw/zinc/13/39/89/527133989.db2.gz MNAAGELONOFGHP-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000488120329 527134857 /nfs/dbraw/zinc/13/48/57/527134857.db2.gz CAPWWIZCPLALPC-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCCC[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000488169201 527134963 /nfs/dbraw/zinc/13/49/63/527134963.db2.gz MNAAGELONOFGHP-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000308859365 527140942 /nfs/dbraw/zinc/14/09/42/527140942.db2.gz QYWKANNTJLEUNN-AVGNSLFASA-N 1 0 213.365 2.441 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)C(N)=O ZINC000449217617 527172967 /nfs/dbraw/zinc/17/29/67/527172967.db2.gz ALKYVIZWMFACCG-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488044231 527198489 /nfs/dbraw/zinc/19/84/89/527198489.db2.gz RSWITUZFOPFURF-CYBMUJFWSA-N 1 0 210.365 2.225 20 30 BEEDRO C=CCCCNC(=O)c1ccccc1C[NH+](C)C ZINC000487485005 527230739 /nfs/dbraw/zinc/23/07/39/527230739.db2.gz FKJBCVZCILMQFL-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000491700789 527245619 /nfs/dbraw/zinc/24/56/19/527245619.db2.gz FFXOLQUWSGJFBS-LBPRGKRZSA-N 1 0 227.311 2.144 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCC2(CCCO2)CC1 ZINC000309719177 527245680 /nfs/dbraw/zinc/24/56/80/527245680.db2.gz VHLZNWFFHDZMLT-HSBZDZAISA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCN(C(C)C)CC1)C(C)C ZINC000300862649 527289921 /nfs/dbraw/zinc/28/99/21/527289921.db2.gz GQTZJZIAWNEUAC-CQSZACIVSA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)CCc1ccccc1)C(C)C ZINC000491705252 527290500 /nfs/dbraw/zinc/29/05/00/527290500.db2.gz LOITUBZZMJAOMO-JKSUJKDBSA-N 1 0 245.366 2.228 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000495515974 527327885 /nfs/dbraw/zinc/32/78/85/527327885.db2.gz PIBILTNLVRRTRX-RYUDHWBXSA-N 1 0 240.347 2.019 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000300397624 527364215 /nfs/dbraw/zinc/36/42/15/527364215.db2.gz CUMHTLGJQBQNKF-AGIUHOORSA-N 1 0 209.333 2.191 20 30 BEEDRO C=CCCOCC[NH2+]C/C=C/c1ccncc1 ZINC000487578252 527366977 /nfs/dbraw/zinc/36/69/77/527366977.db2.gz SSKHOXRQIOJSFS-SNAWJCMRSA-N 1 0 232.327 2.277 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccoc1)C(C)C ZINC000491371597 527413182 /nfs/dbraw/zinc/41/31/82/527413182.db2.gz FRVCYYYKKSIQBH-AAEUAGOBSA-N 1 0 205.301 2.458 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000491417254 527414055 /nfs/dbraw/zinc/41/40/55/527414055.db2.gz MYENVWPVTIVGLQ-JARUQAPTSA-N 1 0 235.371 2.437 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404100215 527415564 /nfs/dbraw/zinc/41/55/64/527415564.db2.gz CWSNCGIFYSEUOX-SECBINFHSA-N 1 0 204.248 2.361 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C(=O)OCC)C1 ZINC000495382673 527465780 /nfs/dbraw/zinc/46/57/80/527465780.db2.gz SEWBDWNZUVUOFL-NWDGAFQWSA-N 1 0 240.347 2.162 20 30 BEEDRO CC(C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404097984 528064671 /nfs/dbraw/zinc/06/46/71/528064671.db2.gz BOLDNMBJSLQKRJ-UHFFFAOYSA-N 1 0 206.264 2.443 20 30 BEEDRO CC1CCN(C(=[NH2+])NCC2(C)CCC2)CC1 ZINC000304795746 528210703 /nfs/dbraw/zinc/21/07/03/528210703.db2.gz MLIWTVQCVULJOQ-UHFFFAOYSA-N 1 0 223.364 2.223 20 30 BEEDRO CC(C)CC[C@H](O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352451614 534945661 /nfs/dbraw/zinc/94/56/61/534945661.db2.gz YGXRNXGVCDTUKO-LBPRGKRZSA-N 1 0 242.338 2.111 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000331025027 534984125 /nfs/dbraw/zinc/98/41/25/534984125.db2.gz VOMVIGHHXYRUHZ-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(C#N)CCN1CCC[C@H]1C[NH+]1CCCC1 ZINC000367018753 534986981 /nfs/dbraw/zinc/98/69/81/534986981.db2.gz CCRYVVZSQFETDW-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000354729949 534995943 /nfs/dbraw/zinc/99/59/43/534995943.db2.gz KCDLCFUGTNJRDE-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@](C)(O)C1CC1 ZINC000336675164 535004714 /nfs/dbraw/zinc/00/47/14/535004714.db2.gz PIFCAEDPVFOVAR-ZDUSSCGKSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cocn1 ZINC000308980567 535005332 /nfs/dbraw/zinc/00/53/32/535005332.db2.gz HYKDJHNGIULJHH-UHFFFAOYSA-N 1 0 207.277 2.094 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000353576058 535017090 /nfs/dbraw/zinc/01/70/90/535017090.db2.gz MREPTWJNWPDLHM-HZSPNIEDSA-N 1 0 237.391 2.387 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@H]2CCCO[C@H]21 ZINC000245953164 535069587 /nfs/dbraw/zinc/06/95/87/535069587.db2.gz WVQLGGPUTOSIJC-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000049933817 535105746 /nfs/dbraw/zinc/10/57/46/535105746.db2.gz ZKFUSDFHSABWPX-UHFFFAOYSA-N 1 0 243.354 2.336 20 30 BEEDRO CC(C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000035238256 535202766 /nfs/dbraw/zinc/20/27/66/535202766.db2.gz RGSLNGLNMXFZFE-UHFFFAOYSA-N 1 0 229.327 2.089 20 30 BEEDRO CCC(N)=[NH+]OCc1cccc(F)c1F ZINC000299330368 535227216 /nfs/dbraw/zinc/22/72/16/535227216.db2.gz KZCJYPALWLXRQT-UHFFFAOYSA-N 1 0 214.215 2.164 20 30 BEEDRO CC[NH+]=C(NCC(F)F)N1CC[C@](C)(CC)C1 ZINC000261864609 535260316 /nfs/dbraw/zinc/26/03/16/535260316.db2.gz ZVFNSBULLIBPPI-LBPRGKRZSA-N 1 0 247.333 2.339 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000267439683 535261540 /nfs/dbraw/zinc/26/15/40/535261540.db2.gz OTFPHERSAZQKCV-UONOGXRCSA-N 1 0 245.370 2.322 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cccc(OCC)c1 ZINC000264102004 535262007 /nfs/dbraw/zinc/26/20/07/535262007.db2.gz MXJNDKMAZAIRHZ-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](CC2(C#N)CC2)CCCO1 ZINC000335734161 535263563 /nfs/dbraw/zinc/26/35/63/535263563.db2.gz MIWARKIHZAZWLH-LBPRGKRZSA-N 1 0 222.332 2.037 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCC2(O)CCC2)CC1 ZINC000332501561 535272752 /nfs/dbraw/zinc/27/27/52/535272752.db2.gz WUHDJQVETXNAGF-UHFFFAOYSA-N 1 0 236.359 2.354 20 30 BEEDRO CC1(C)CC[C@H]1NC(=[NH2+])NC1CCCC1 ZINC000261531750 535328716 /nfs/dbraw/zinc/32/87/16/535328716.db2.gz HTBWFKIYXHUTOC-SNVBAGLBSA-N 1 0 209.337 2.022 20 30 BEEDRO CC(C)c1cccc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262479601 535375407 /nfs/dbraw/zinc/37/54/07/535375407.db2.gz CTCMGIKNFYKILN-LLVKDONJSA-N 1 0 231.343 2.247 20 30 BEEDRO CCOCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309042489 535511614 /nfs/dbraw/zinc/51/16/14/535511614.db2.gz LYVOWZJRDPLPHF-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000078795580 535517864 /nfs/dbraw/zinc/51/78/64/535517864.db2.gz ZUIMSGWYZBACET-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CCOCC[N@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC000338981286 535588165 /nfs/dbraw/zinc/58/81/65/535588165.db2.gz KYIZXAHZBXSIMW-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC ZINC000268100906 535620433 /nfs/dbraw/zinc/62/04/33/535620433.db2.gz WSZZHRWOKLPTLC-LLVKDONJSA-N 1 0 249.358 2.206 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC[C@@H]1C#N ZINC000354649394 535681863 /nfs/dbraw/zinc/68/18/63/535681863.db2.gz NKXACEBPYWJXOD-RFGFWPKPSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(F)cc2C#N)[C@@H](C)C1 ZINC000286189978 535746896 /nfs/dbraw/zinc/74/68/96/535746896.db2.gz AZAVOUZBTGYQMK-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO CC[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000361588706 535766191 /nfs/dbraw/zinc/76/61/91/535766191.db2.gz NDIGVYSHNSESJB-OAHLLOKOSA-N 1 0 247.313 2.288 20 30 BEEDRO CCC[C@]1(CO)CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339206710 535768896 /nfs/dbraw/zinc/76/88/96/535768896.db2.gz WWEMVNOMDZBJTE-MCIONIFRSA-N 1 0 236.359 2.163 20 30 BEEDRO CCNC(N[C@H]1c2ccccc2O[C@@H]1C)=[NH+]CC ZINC000262310589 535786837 /nfs/dbraw/zinc/78/68/37/535786837.db2.gz SJENCHHDHLKYSZ-ZWNOBZJWSA-N 1 0 247.342 2.084 20 30 BEEDRO CCNC(N[C@@H]1C[C@@H]1Cc1ccccc1)=[NH+]CC ZINC000267435115 535786926 /nfs/dbraw/zinc/78/69/26/535786926.db2.gz NRQFUNZNROQMBJ-UONOGXRCSA-N 1 0 245.370 2.193 20 30 BEEDRO CC[C@H](CSC)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308571070 536127060 /nfs/dbraw/zinc/12/70/60/536127060.db2.gz BXZQBQJEINRXTB-AXFHLTTASA-N 1 0 212.362 2.410 20 30 BEEDRO C[N@H+](CCC1CCOCC1)CC1(C#N)CC1 ZINC000258872705 536326422 /nfs/dbraw/zinc/32/64/22/536326422.db2.gz IAMYCYBTFNSLNA-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cn[nH]c1 ZINC000330309457 536356020 /nfs/dbraw/zinc/35/60/20/536356020.db2.gz UFYUINLDBBKIKO-NSHDSACASA-N 1 0 236.319 2.262 20 30 BEEDRO CN(CC[NH+]1CCCC1)Cc1cc(C#N)cs1 ZINC000349061315 536371641 /nfs/dbraw/zinc/37/16/41/536371641.db2.gz IQNMFJHQOYUQAX-UHFFFAOYSA-N 1 0 249.383 2.147 20 30 BEEDRO C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000053204999 536415509 /nfs/dbraw/zinc/41/55/09/536415509.db2.gz QUQQUUDKAGJOEW-LBPRGKRZSA-N 1 0 249.745 2.400 20 30 BEEDRO COC(=O)c1ccc(C[NH2+]CCCCC#N)cc1 ZINC000237147077 536703822 /nfs/dbraw/zinc/70/38/22/536703822.db2.gz OGLNJZFDQCSXGD-UHFFFAOYSA-N 1 0 246.310 2.257 20 30 BEEDRO COC1CC([N@H+](C)Cc2cc(C#N)cs2)C1 ZINC000348711362 536717192 /nfs/dbraw/zinc/71/71/92/536717192.db2.gz QPBHVOHTTQLTAC-UHFFFAOYSA-N 1 0 236.340 2.229 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000338994130 536761219 /nfs/dbraw/zinc/76/12/19/536761219.db2.gz FPPCXNQEFBGYKT-YNEHKIRRSA-N 1 0 222.332 2.037 20 30 BEEDRO COCC1(C#N)CC[NH+](CC=C(C)C)CC1 ZINC000342001515 536801433 /nfs/dbraw/zinc/80/14/33/536801433.db2.gz WXTXBOQZUQOMJC-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO COCC[C@H]1CCCC[N@H+](CC2(C#N)CC2)C1 ZINC000342748081 536822303 /nfs/dbraw/zinc/82/23/03/536822303.db2.gz MXMMHAZFSIZBGW-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000668582715 566303677 /nfs/dbraw/zinc/30/36/77/566303677.db2.gz ZAEHHARLWOJRJA-UHFFFAOYSA-N 1 0 246.354 2.253 20 30 BEEDRO N#CCCCC[NH2+]Cc1cn2ccnc2s1 ZINC000892928995 583011179 /nfs/dbraw/zinc/01/11/79/583011179.db2.gz FUHVKEFHZYZAOA-UHFFFAOYSA-N 1 0 234.328 2.179 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C)nc1C1CC1 ZINC000894118656 583310373 /nfs/dbraw/zinc/31/03/73/583310373.db2.gz BQFAKIOGEKTTPM-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCCCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853105734 588720507 /nfs/dbraw/zinc/72/05/07/588720507.db2.gz VRWXISBHVOJYGM-ZDUSSCGKSA-N 1 0 220.316 2.061 20 30 BEEDRO C#Cc1cccnc1NCC(C)(C)C[NH+](C)C ZINC000853085659 588719218 /nfs/dbraw/zinc/71/92/18/588719218.db2.gz UFIVZWWTYFSJMR-UHFFFAOYSA-N 1 0 231.343 2.063 20 30 BEEDRO C#Cc1cccnc1NCC1([NH+](C)C)CCCC1 ZINC000853155302 588723037 /nfs/dbraw/zinc/72/30/37/588723037.db2.gz ZPFCTIXHDUBDND-UHFFFAOYSA-N 1 0 243.354 2.349 20 30 BEEDRO C#Cc1cccnc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000853183414 588723984 /nfs/dbraw/zinc/72/39/84/588723984.db2.gz IBQCLWGTTKXDFK-KBPBESRZSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1cccnc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000853234545 588727855 /nfs/dbraw/zinc/72/78/55/588727855.db2.gz FJXIDDSKSUYNTD-ZDUSSCGKSA-N 1 0 243.354 2.205 20 30 BEEDRO NC(=[NH2+])NN=Cc1cccc(C2CCCC2)c1 ZINC000853287686 588730783 /nfs/dbraw/zinc/73/07/83/588730783.db2.gz PZNANWDGIMLZKX-UHFFFAOYSA-N 1 0 230.315 2.161 20 30 BEEDRO C#Cc1cccnc1NC[C@H]1CCCC[N@H+]1CC ZINC000853313885 588732113 /nfs/dbraw/zinc/73/21/13/588732113.db2.gz PWEVEVQCRPXNMW-CQSZACIVSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCCC(C)(C)CC2)=[NH+]1 ZINC000853330266 588733686 /nfs/dbraw/zinc/73/36/86/588733686.db2.gz LOMWRYNXTZITNU-SNVBAGLBSA-N 1 0 236.363 2.270 20 30 BEEDRO Cc1ccc(F)cc1N=NC1C[N@@H+](C)C[C@H]1C ZINC000853394023 588740396 /nfs/dbraw/zinc/74/03/96/588740396.db2.gz WJFMJAAKHJSARD-SNVBAGLBSA-N 1 0 235.306 2.484 20 30 BEEDRO C#Cc1cccnc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853412334 588741578 /nfs/dbraw/zinc/74/15/78/588741578.db2.gz ZVCACGAGTJDIIG-ZIAGYGMSSA-N 1 0 243.354 2.348 20 30 BEEDRO C#Cc1cccnc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000853636773 588751431 /nfs/dbraw/zinc/75/14/31/588751431.db2.gz JCRMDZNBHYLPTO-LBPRGKRZSA-N 1 0 231.343 2.204 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000890549134 582470929 /nfs/dbraw/zinc/47/09/29/582470929.db2.gz HSERSDXXSXTXCO-GXTWGEPZSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)C[C@@H](C)n1ccnc1 ZINC000890551234 582471134 /nfs/dbraw/zinc/47/11/34/582471134.db2.gz YNFBONMNWDZHNP-VXGBXAGGSA-N 1 0 233.315 2.011 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000890558039 582476725 /nfs/dbraw/zinc/47/67/25/582476725.db2.gz LKRFPVKVNIYYES-XQQFMLRXSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H]1CCCC[N@H+]1CC ZINC000890563204 582479196 /nfs/dbraw/zinc/47/91/96/582479196.db2.gz PTADFZJCZMFWFT-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)CNN=C1CCC[C@H]([NH+](C)C)C1 ZINC000811651381 582481804 /nfs/dbraw/zinc/48/18/04/582481804.db2.gz USOZCKIHBUTPBT-LBPRGKRZSA-N 1 0 209.337 2.012 20 30 BEEDRO CC[N@@H+]1CCC(=NOC/C=C/Cl)[C@@H](C)C1 ZINC000811669994 582488011 /nfs/dbraw/zinc/48/80/11/582488011.db2.gz XFBQREDQLWTYBR-MSINHTTBSA-N 1 0 230.739 2.473 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCSC)cc1 ZINC000113313336 588831143 /nfs/dbraw/zinc/83/11/43/588831143.db2.gz QSFMEFMPZZZQCC-UHFFFAOYSA-N 1 0 235.352 2.151 20 30 BEEDRO C#CCON=C1CC[NH+](C2CCCC2)CC1 ZINC000812233470 582496473 /nfs/dbraw/zinc/49/64/73/582496473.db2.gz RYYYTOJOVLSQPS-UHFFFAOYSA-N 1 0 220.316 2.031 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000891195395 582623328 /nfs/dbraw/zinc/62/33/28/582623328.db2.gz VBFFBYRAVUZYLZ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C#Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000891313785 582662573 /nfs/dbraw/zinc/66/25/73/582662573.db2.gz YJSKXMGRSKNVEX-UHFFFAOYSA-N 1 0 242.322 2.091 20 30 BEEDRO C=C(Br)CN1CCC[C@@H](COC)C1 ZINC000113509009 588842520 /nfs/dbraw/zinc/84/25/20/588842520.db2.gz XABISHALVAPFRX-SNVBAGLBSA-N 1 0 248.164 2.253 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@@H]1C[C@]1(C)Br ZINC000891716070 582713141 /nfs/dbraw/zinc/71/31/41/582713141.db2.gz KSQZROZZMCYSEK-UTLUCORTSA-N 1 0 245.164 2.251 20 30 BEEDRO C[C@H]1CNC(NN=C[C@@H]2CCCC(C)(C)C2)=[NH+]1 ZINC000779799556 582735156 /nfs/dbraw/zinc/73/51/56/582735156.db2.gz VHMAQDTXTLWYAN-WDEREUQCSA-N 1 0 236.363 2.126 20 30 BEEDRO C[C@H]1CNC(NN=C[C@H]2CCCC(C)(C)C2)=[NH+]1 ZINC000779799555 582735398 /nfs/dbraw/zinc/73/53/98/582735398.db2.gz VHMAQDTXTLWYAN-QWRGUYRKSA-N 1 0 236.363 2.126 20 30 BEEDRO C=CCC(C)(C)CNC(=O)NCCC(C)(C)[NH3+] ZINC000891920182 582738655 /nfs/dbraw/zinc/73/86/55/582738655.db2.gz XVMVFXSVWQEWFV-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)cc(C#N)n1 ZINC000892031880 582766850 /nfs/dbraw/zinc/76/68/50/582766850.db2.gz CTJIBQTZXJHJFU-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000892146254 582800343 /nfs/dbraw/zinc/80/03/43/582800343.db2.gz OXONEBXKQHFHEU-WDEREUQCSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000892145632 582800714 /nfs/dbraw/zinc/80/07/14/582800714.db2.gz ZYAOPJCZNUDSLU-MNOVXSKESA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(C)C[NH+]=C(NCc1ccccc1)N(C)C ZINC000113770211 588853740 /nfs/dbraw/zinc/85/37/40/588853740.db2.gz LXVPQQHORQSHAL-UHFFFAOYSA-N 1 0 231.343 2.270 20 30 BEEDRO C=Cc1ccc(CCNC(NCC)=[NH+]CC)cc1 ZINC000849030120 582833287 /nfs/dbraw/zinc/83/32/87/582833287.db2.gz GGWZSVRPNSXLJE-UHFFFAOYSA-N 1 0 245.370 2.447 20 30 BEEDRO C=CC(C)(C)CNC(NCc1ccco1)=[NH+]C ZINC000849036239 582836995 /nfs/dbraw/zinc/83/69/95/582836995.db2.gz XMQCTOKHTJJPQA-UHFFFAOYSA-N 1 0 235.331 2.157 20 30 BEEDRO CN(C)C(=[NH+]CC[C@]1(C)C[C@]1(F)Cl)N(C)C ZINC000849047862 582841168 /nfs/dbraw/zinc/84/11/68/582841168.db2.gz YEFMLZINXSYKHU-GHMZBOCLSA-N 1 0 249.761 2.170 20 30 BEEDRO C[C@H]1CC(N=Nc2ccnc(F)c2)C[N@@H+]1C1CC1 ZINC000781131583 582851255 /nfs/dbraw/zinc/85/12/55/582851255.db2.gz ADBBAEDBGIDVHX-VIFPVBQESA-N 1 0 248.305 2.245 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCC[C@@H](C)C1)NC1CC1 ZINC000103338320 582859838 /nfs/dbraw/zinc/85/98/38/582859838.db2.gz NWQUDGCIGHHUJZ-GHMZBOCLSA-N 1 0 223.364 2.140 20 30 BEEDRO C[C@@]1(Br)C[C@@H]1C[NH2+]CCCCC#N ZINC000892930347 583011265 /nfs/dbraw/zinc/01/12/65/583011265.db2.gz UBTOLJHPHKTZPP-NXEZZACHSA-N 1 0 245.164 2.443 20 30 BEEDRO Cc1cc(C[NH2+]CCCCC#N)cnc1F ZINC000892930039 583011524 /nfs/dbraw/zinc/01/15/24/583011524.db2.gz OARSNSWLCYJFIB-UHFFFAOYSA-N 1 0 221.279 2.313 20 30 BEEDRO CCCCCCCCC(=O)N(C)CC[NH2+]C ZINC000114576368 588876119 /nfs/dbraw/zinc/87/61/19/588876119.db2.gz IJPOUMYXDHMFQD-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C#C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCCO1 ZINC000775341630 583087165 /nfs/dbraw/zinc/08/71/65/583087165.db2.gz MLJKYNIJKZJSOJ-QQVOCNMXSA-N 1 0 241.334 2.470 20 30 BEEDRO C#C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCCO1 ZINC000775341628 583087567 /nfs/dbraw/zinc/08/75/67/583087567.db2.gz MLJKYNIJKZJSOJ-JHCSKLMMSA-N 1 0 241.334 2.470 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccsc1)[C@@H]1CCCO1 ZINC000775571103 583093052 /nfs/dbraw/zinc/09/30/52/583093052.db2.gz AGCIATRAKLTUFF-XBFCOCLRSA-N 1 0 249.379 2.450 20 30 BEEDRO [NH2+]=C(NCc1ccc(F)cc1)NCC1CCC1 ZINC000104153587 583112369 /nfs/dbraw/zinc/11/23/69/583112369.db2.gz FQKPNEHLQOFNHK-UHFFFAOYSA-N 1 0 235.306 2.030 20 30 BEEDRO C=CC1(OC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000893358086 583121288 /nfs/dbraw/zinc/12/12/88/583121288.db2.gz BVOKTEMKLXAEOM-UHFFFAOYSA-N 1 0 235.327 2.123 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn(C)nc1Cl ZINC000856790056 588877776 /nfs/dbraw/zinc/87/77/76/588877776.db2.gz QEADFDXMJUDMSU-UHFFFAOYSA-N 1 0 227.739 2.375 20 30 BEEDRO C[C@@]1(Br)C[C@H]1C[NH2+]CCCC#N ZINC000893514157 583155756 /nfs/dbraw/zinc/15/57/56/583155756.db2.gz JLRRXLILKDVYHC-DTWKUNHWSA-N 1 0 231.137 2.053 20 30 BEEDRO COC(=O)c1ccc(C[NH2+]CCCC#N)cc1C ZINC000893516039 583155774 /nfs/dbraw/zinc/15/57/74/583155774.db2.gz NPDQLTDZLQGBDY-UHFFFAOYSA-N 1 0 246.310 2.175 20 30 BEEDRO COC1CCC(C[NH2+]CC(C)(C)C#N)CC1 ZINC000893550854 583162674 /nfs/dbraw/zinc/16/26/74/583162674.db2.gz HTVILAVSZIQIBD-UHFFFAOYSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893569047 583165337 /nfs/dbraw/zinc/16/53/37/583165337.db2.gz YHOKFSDMGUTIOO-UONOGXRCSA-N 1 0 231.339 2.243 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893569043 583165525 /nfs/dbraw/zinc/16/55/25/583165525.db2.gz YHOKFSDMGUTIOO-KBPBESRZSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C(C)CN(CC)Cc1cn(C)nc1Cl ZINC000857011374 588881972 /nfs/dbraw/zinc/88/19/72/588881972.db2.gz CQSBBEHDMOGTMI-UHFFFAOYSA-N 1 0 227.739 2.472 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000893670048 583192440 /nfs/dbraw/zinc/19/24/40/583192440.db2.gz YBAYPKAPNLGDFH-WDEREUQCSA-N 1 0 249.383 2.144 20 30 BEEDRO C#CC1CC[NH+](Cc2cncc(OCC)c2)CC1 ZINC000857049515 588884336 /nfs/dbraw/zinc/88/43/36/588884336.db2.gz MUANXKNIFWYTRU-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn(C)nc1C1CC1 ZINC000893930178 583250468 /nfs/dbraw/zinc/25/04/68/583250468.db2.gz TWXVSJIPIOYZDP-UHFFFAOYSA-N 1 0 219.332 2.305 20 30 BEEDRO Cc1cc(F)c(C#N)c(N2CC(C[NH+](C)C)C2)c1 ZINC000894024387 583280308 /nfs/dbraw/zinc/28/03/08/583280308.db2.gz XJRCAYZZDGTJNZ-UHFFFAOYSA-N 1 0 247.317 2.004 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cc(C)cnc1Cl ZINC000894060169 583291384 /nfs/dbraw/zinc/29/13/84/583291384.db2.gz PLKHSCCEABGCGD-SNVBAGLBSA-N 1 0 222.719 2.497 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@@H]1COc2ccccc2C1 ZINC000894081922 583294656 /nfs/dbraw/zinc/29/46/56/583294656.db2.gz JWWIYCFXSMHEDY-AAEUAGOBSA-N 1 0 230.311 2.129 20 30 BEEDRO CC(C)CC[NH+]1CCC(NCCC#N)CC1 ZINC000894084805 583295939 /nfs/dbraw/zinc/29/59/39/583295939.db2.gz WAKYRRMWWKLVCP-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000877513038 583319693 /nfs/dbraw/zinc/31/96/93/583319693.db2.gz JWQSOOWMTPWPGD-HUUCEWRRSA-N 1 0 231.339 2.246 20 30 BEEDRO CCCCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857207079 588892829 /nfs/dbraw/zinc/89/28/29/588892829.db2.gz RTGOECIXDXPBSQ-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO OC[C@@H](CC1CCC1)[NH2+]CC#Cc1ccccc1 ZINC000894167644 583324405 /nfs/dbraw/zinc/32/44/05/583324405.db2.gz PARUUUTWRNWFDV-MRXNPFEDSA-N 1 0 243.350 2.179 20 30 BEEDRO CCc1onc(C)c1C[NH2+]CC1(CC#N)CC1 ZINC000894197738 583336300 /nfs/dbraw/zinc/33/63/00/583336300.db2.gz PCKRYTQCTDTKKS-UHFFFAOYSA-N 1 0 233.315 2.329 20 30 BEEDRO CCCSC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000894204591 583340775 /nfs/dbraw/zinc/34/07/75/583340775.db2.gz QQJGAAQKDQCPIO-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)cc1 ZINC000877751585 583346398 /nfs/dbraw/zinc/34/63/98/583346398.db2.gz HHXHCDGIVBQVHL-OAHLLOKOSA-N 1 0 243.350 2.261 20 30 BEEDRO N#CCC[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857238849 588900923 /nfs/dbraw/zinc/90/09/23/588900923.db2.gz FLPBIYAWXYOBOO-SSDOTTSWSA-N 1 0 207.104 2.074 20 30 BEEDRO C=CC[C@H](C)[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000878602086 583385552 /nfs/dbraw/zinc/38/55/52/583385552.db2.gz WKAJORJWUXMVOH-LBPRGKRZSA-N 1 0 231.343 2.474 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000878676289 583392266 /nfs/dbraw/zinc/39/22/66/583392266.db2.gz PHWAHUVKUASLFL-XQQFMLRXSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)ccnc1N ZINC000894259644 583397815 /nfs/dbraw/zinc/39/78/15/583397815.db2.gz FOWATTKZJSWDCG-SNVBAGLBSA-N 1 0 205.305 2.026 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000894383965 583442455 /nfs/dbraw/zinc/44/24/55/583442455.db2.gz OZKSHIIAGQVHDX-QMMMGPOBSA-N 1 0 209.676 2.157 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000894383077 583442497 /nfs/dbraw/zinc/44/24/97/583442497.db2.gz IOBYQFPRIVAYGI-SDDRHHMPSA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cn(C)nc1C1CCCC1 ZINC000894383736 583442512 /nfs/dbraw/zinc/44/25/12/583442512.db2.gz OFHVPDFNOLRYAG-NSHDSACASA-N 1 0 231.343 2.189 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCc1ccc(F)c(F)c1 ZINC000894383451 583442767 /nfs/dbraw/zinc/44/27/67/583442767.db2.gz LGYKQYOYOJMUOX-SECBINFHSA-N 1 0 209.239 2.119 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(C)nc2c1CCCC2 ZINC000894385268 583443349 /nfs/dbraw/zinc/44/33/49/583443349.db2.gz YHMOMVNJLZILDR-LLVKDONJSA-N 1 0 228.339 2.380 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000894387438 583444313 /nfs/dbraw/zinc/44/43/13/583444313.db2.gz MOTCNYLOSFFDRQ-IVZWLZJFSA-N 1 0 230.149 2.161 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000894387364 583444403 /nfs/dbraw/zinc/44/44/03/583444403.db2.gz MEAIISCNWFRDQG-LBPRGKRZSA-N 1 0 249.285 2.114 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)C(C)C ZINC000894387190 583444527 /nfs/dbraw/zinc/44/45/27/583444527.db2.gz KSVFJJPKVFOSIC-AHPWVWPOSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000894386672 583444912 /nfs/dbraw/zinc/44/49/12/583444912.db2.gz CLXTTWGKOQJGQA-GXYBRJDSSA-N 1 0 233.355 2.047 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000894518310 583477024 /nfs/dbraw/zinc/47/70/24/583477024.db2.gz XHCQOJMPVJIAMJ-PKCACUDHSA-N 1 0 247.382 2.437 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CSCCC ZINC000894640209 583498783 /nfs/dbraw/zinc/49/87/83/583498783.db2.gz YKYBLSVSXKANRE-ZDUSSCGKSA-N 1 0 242.432 2.063 20 30 BEEDRO CCCCCCCCNC(=O)NC/C=C/C[NH3+] ZINC000841863342 583505980 /nfs/dbraw/zinc/50/59/80/583505980.db2.gz AEHPLZNVLHFKLZ-VQHVLOKHSA-N 1 0 241.379 2.161 20 30 BEEDRO C[N@H+](Cc1csc(C#N)c1)CC(C)(C)CO ZINC000894688625 583507621 /nfs/dbraw/zinc/50/76/21/583507621.db2.gz XKMJFLNTFLLHQJ-UHFFFAOYSA-N 1 0 238.356 2.070 20 30 BEEDRO CCc1ncc(CNCC#Cc2ccccc2)o1 ZINC000894755310 583516435 /nfs/dbraw/zinc/51/64/35/583516435.db2.gz ZMXAPTBBVVNLMH-UHFFFAOYSA-N 1 0 240.306 2.378 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894773142 583517437 /nfs/dbraw/zinc/51/74/37/583517437.db2.gz DHKZOFKBRLPQDR-LLVKDONJSA-N 1 0 234.347 2.347 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn(CC)nc1C ZINC000894776062 583518371 /nfs/dbraw/zinc/51/83/71/583518371.db2.gz SZFMSTHKUSCVEY-UHFFFAOYSA-N 1 0 207.321 2.267 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCO[C@@H]1CCCCO1 ZINC000894798255 583522383 /nfs/dbraw/zinc/52/23/83/583522383.db2.gz DABSKSIGDZINKX-QWHCGFSZSA-N 1 0 227.348 2.474 20 30 BEEDRO C=C(C)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792545227 583530337 /nfs/dbraw/zinc/53/03/37/583530337.db2.gz AAHMBSAQPWXWED-UHFFFAOYSA-N 1 0 216.240 2.067 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000894874672 583540700 /nfs/dbraw/zinc/54/07/00/583540700.db2.gz WEROXUBINPQONF-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1COCO1 ZINC000894879179 583542702 /nfs/dbraw/zinc/54/27/02/583542702.db2.gz QPQRUOFVDKPTPB-VXGBXAGGSA-N 1 0 213.321 2.084 20 30 BEEDRO COCC[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000894893566 583549061 /nfs/dbraw/zinc/54/90/61/583549061.db2.gz FJJWISJDCLPGNP-AWEZNQCLSA-N 1 0 231.339 2.300 20 30 BEEDRO CC[C@H]([NH2+]CC#Cc1ccccc1)[C@H](O)C(C)C ZINC000894915881 583555660 /nfs/dbraw/zinc/55/56/60/583555660.db2.gz PLDDVNPBASHHMJ-JKSUJKDBSA-N 1 0 245.366 2.423 20 30 BEEDRO N#CC1(CNCc2nccn2C2CC2)CCC1 ZINC000894966817 583559695 /nfs/dbraw/zinc/55/96/95/583559695.db2.gz OWWQUMMPKIFRFU-UHFFFAOYSA-N 1 0 230.315 2.001 20 30 BEEDRO Cc1ncoc1C[NH2+]CC(C)(C)CC#N ZINC000894987064 583565273 /nfs/dbraw/zinc/56/52/73/583565273.db2.gz RAFOSDIMUVXZMO-UHFFFAOYSA-N 1 0 207.277 2.013 20 30 BEEDRO C[N@@H+]1CCCC(=NNCC2CCCC2)CC1 ZINC000808005670 583582961 /nfs/dbraw/zinc/58/29/61/583582961.db2.gz JBPGXNMAEXXGAJ-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CSC(C)(C)C ZINC000895096642 583588196 /nfs/dbraw/zinc/58/81/96/583588196.db2.gz OKLMYWDCDWLYIS-VXGBXAGGSA-N 1 0 243.416 2.271 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000895103418 583589093 /nfs/dbraw/zinc/58/90/93/583589093.db2.gz UHJGMCMRLSVFAT-GDBMZVCRSA-N 1 0 245.366 2.290 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000793552640 583589793 /nfs/dbraw/zinc/58/97/93/583589793.db2.gz ZVXMWFJDJHFPIF-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(F)c(C)c2)CC1 ZINC000895115491 583591490 /nfs/dbraw/zinc/59/14/90/583591490.db2.gz MVSHZTNOQRYTGQ-UHFFFAOYSA-N 1 0 232.302 2.374 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CC)C(=O)OC ZINC000895122133 583596101 /nfs/dbraw/zinc/59/61/01/583596101.db2.gz LWTRCYGQHQUYMD-TUAOUCFPSA-N 1 0 227.348 2.376 20 30 BEEDRO CC[C@H](C[NH2+]CC(C)(C)CCC#N)C(=O)OC ZINC000895122544 583596281 /nfs/dbraw/zinc/59/62/81/583596281.db2.gz NEBLVDOCEGOOKD-LLVKDONJSA-N 1 0 240.347 2.105 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCc3cn[nH]c32)CC1 ZINC000857865841 588915678 /nfs/dbraw/zinc/91/56/78/588915678.db2.gz PBWMFZIHICSBNE-LLVKDONJSA-N 1 0 230.315 2.071 20 30 BEEDRO CCCCCC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160131 583609070 /nfs/dbraw/zinc/60/90/70/583609070.db2.gz KNPGPOQEIDGLEI-RYUDHWBXSA-N 1 0 242.363 2.315 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000857868204 588916425 /nfs/dbraw/zinc/91/64/25/588916425.db2.gz QVRSUJGABMJQAC-WCFLWFBJSA-N 1 0 244.342 2.459 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000794574157 583615219 /nfs/dbraw/zinc/61/52/19/583615219.db2.gz AJAQCCBVCVWCQX-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(C)co2)C1 ZINC000895182115 583617765 /nfs/dbraw/zinc/61/77/65/583617765.db2.gz AJAFWXOBMTYEOG-GFCCVEGCSA-N 1 0 203.285 2.433 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cn3ccnc3s2)C1 ZINC000895203420 583624181 /nfs/dbraw/zinc/62/41/81/583624181.db2.gz OXKSNTCDIFCASY-NSHDSACASA-N 1 0 245.351 2.241 20 30 BEEDRO C=CCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000895243328 583631722 /nfs/dbraw/zinc/63/17/22/583631722.db2.gz LQPDVBKMMSUCSE-UHFFFAOYSA-N 1 0 217.272 2.197 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000895280409 583635288 /nfs/dbraw/zinc/63/52/88/583635288.db2.gz UHLJRCZGIZPNPW-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO CC1=NO[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000895303665 583645393 /nfs/dbraw/zinc/64/53/93/583645393.db2.gz HSVADRPZRASCHN-AWEZNQCLSA-N 1 0 243.310 2.121 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895323611 583650499 /nfs/dbraw/zinc/65/04/99/583650499.db2.gz MUGFEJAUEGORSC-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895323613 583650567 /nfs/dbraw/zinc/65/05/67/583650567.db2.gz MUGFEJAUEGORSC-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C[N@H+](Cc1csc(C#N)c1)CC1=CCCOC1 ZINC000895370895 583661499 /nfs/dbraw/zinc/66/14/99/583661499.db2.gz NPSREQNQJXILGO-UHFFFAOYSA-N 1 0 248.351 2.398 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnc(F)c(C)c1 ZINC000895377355 583661544 /nfs/dbraw/zinc/66/15/44/583661544.db2.gz MBBWIVQRWDCXSX-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCc2cccnc21 ZINC000895416445 583667488 /nfs/dbraw/zinc/66/74/88/583667488.db2.gz WGDBWBFMNDZILN-ZIAGYGMSSA-N 1 0 244.338 2.087 20 30 BEEDRO C#CCCCN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000857920908 588924378 /nfs/dbraw/zinc/92/43/78/588924378.db2.gz FVWBRWSTPBKZDT-LBPRGKRZSA-N 1 0 242.322 2.243 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000895539819 583687378 /nfs/dbraw/zinc/68/73/78/583687378.db2.gz HGXNARDOSXRHNR-FLWUZPLOSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]CC#Cc1ccccc1 ZINC000895570557 583691958 /nfs/dbraw/zinc/69/19/58/583691958.db2.gz LMJTWKAGGYLHNK-GOEBONIOSA-N 1 0 241.334 2.195 20 30 BEEDRO N#Cc1csc(C[N@H+]2CC[C@@H](CF)C2)c1 ZINC000895573621 583692751 /nfs/dbraw/zinc/69/27/51/583692751.db2.gz QELDDKBZFDIKNJ-VIFPVBQESA-N 1 0 224.304 2.411 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000895585332 583694235 /nfs/dbraw/zinc/69/42/35/583694235.db2.gz PSFHNQLTCKTQRF-MRXNPFEDSA-N 1 0 245.366 2.425 20 30 BEEDRO C#CC1([NH2+]C[C@@](C)(CC)OC)CCCC1 ZINC000895677109 583704722 /nfs/dbraw/zinc/70/47/22/583704722.db2.gz HRSPDZWJKSUJDA-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CC1([NH2+]C[C@H](CCC)OC)CCCC1 ZINC000895676664 583704805 /nfs/dbraw/zinc/70/48/05/583704805.db2.gz AYWKDLLSFAWPND-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CCC(C)(C)SC ZINC000895713010 583710737 /nfs/dbraw/zinc/71/07/37/583710737.db2.gz HAXXCGZVWQTACS-LLVKDONJSA-N 1 0 231.405 2.435 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(C(C)C)c1 ZINC000883125713 583710928 /nfs/dbraw/zinc/71/09/28/583710928.db2.gz RORWJJNGIUSNHP-OAHLLOKOSA-N 1 0 231.339 2.284 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000895715500 583711179 /nfs/dbraw/zinc/71/11/79/583711179.db2.gz SQPUERNUQZSBCV-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CC2(CCC2)C1 ZINC000895713311 583711279 /nfs/dbraw/zinc/71/12/79/583711279.db2.gz MZYDLFYMNBEMDO-NSHDSACASA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000895713534 583711312 /nfs/dbraw/zinc/71/13/12/583711312.db2.gz QGTMQAICIOFWAH-BDAKNGLRSA-N 1 0 238.158 2.097 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000895785646 583727027 /nfs/dbraw/zinc/72/70/27/583727027.db2.gz ZPSNJOZXUBRYER-HKCMKHECSA-N 1 0 241.338 2.335 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(C)C)[C@H]1CCCO1 ZINC000883189188 583738680 /nfs/dbraw/zinc/73/86/80/583738680.db2.gz ABQHLFZYNRDDTJ-MELADBBJSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@H](O)CC)[C@@H]1CCCO1 ZINC000883198233 583739081 /nfs/dbraw/zinc/73/90/81/583739081.db2.gz CSSOBYMBDFYTDF-RDBSUJKOSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000895924484 583747420 /nfs/dbraw/zinc/74/74/20/583747420.db2.gz VRQRUZBNBDQIHD-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CC1CCC(OC)CC1 ZINC000896035193 583764435 /nfs/dbraw/zinc/76/44/35/583764435.db2.gz OXDADEKTWSRNEE-ROKHWSDSSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1nc(C)c(C)s1 ZINC000896034962 583764550 /nfs/dbraw/zinc/76/45/50/583764550.db2.gz KCOMWOAKZGZIJD-LLVKDONJSA-N 1 0 240.372 2.177 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000896180458 583780439 /nfs/dbraw/zinc/78/04/39/583780439.db2.gz CRTSJYKWIPFYEE-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO Cc1nc([C@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)no1 ZINC000896233529 583784340 /nfs/dbraw/zinc/78/43/40/583784340.db2.gz UMTWMAAIKIFSTP-JQWIXIFHSA-N 1 0 248.330 2.107 20 30 BEEDRO Cc1nc([C@@H]2CC[N@@H+](C[C@@H](C)CCC#N)C2)no1 ZINC000896233526 583784561 /nfs/dbraw/zinc/78/45/61/583784561.db2.gz UMTWMAAIKIFSTP-CMPLNLGQSA-N 1 0 248.330 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H]1CC=CCC1 ZINC000883401743 583797712 /nfs/dbraw/zinc/79/77/12/583797712.db2.gz WWLIMXHYPUEBHP-QWHCGFSZSA-N 1 0 209.333 2.259 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896411451 583800645 /nfs/dbraw/zinc/80/06/45/583800645.db2.gz NZYDDUUEJCAIMP-RTXFEEFZSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CCC[C@H](C#N)C1)C1CC1 ZINC000896503566 583807740 /nfs/dbraw/zinc/80/77/40/583807740.db2.gz LCLGSUJWKMEQCU-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000858207333 588938524 /nfs/dbraw/zinc/93/85/24/588938524.db2.gz VCUVYSXVMQJUPT-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1cc(C)n(C)n1 ZINC000896818392 583836498 /nfs/dbraw/zinc/83/64/98/583836498.db2.gz BNJBWYWKHMCXSD-UHFFFAOYSA-N 1 0 247.386 2.444 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858161227 588936187 /nfs/dbraw/zinc/93/61/87/588936187.db2.gz IDJIXLKVJTWHGE-UHFFFAOYSA-N 1 0 219.263 2.004 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CCS1 ZINC000896952762 583863846 /nfs/dbraw/zinc/86/38/46/583863846.db2.gz QEELSRUCFIMXRK-WDEREUQCSA-N 1 0 247.367 2.327 20 30 BEEDRO CC#CC[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000897167073 583887006 /nfs/dbraw/zinc/88/70/06/583887006.db2.gz WEXCAFWZNMMWRC-UHFFFAOYSA-N 1 0 243.310 2.433 20 30 BEEDRO CC#CC[N@@H+](C)C[C@@H]1CCO[C@@H](CC)C1 ZINC000897167977 583887482 /nfs/dbraw/zinc/88/74/82/583887482.db2.gz YWBUEEWMOSLQGM-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCN(C(=O)[C@@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000897303120 583912344 /nfs/dbraw/zinc/91/23/44/583912344.db2.gz GHBOMKCFBOPTHZ-LBPRGKRZSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315158 583918024 /nfs/dbraw/zinc/91/80/24/583918024.db2.gz IHZZJJYSAOZNHZ-JTQLQIEISA-N 1 0 206.289 2.232 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cncc(O)c1 ZINC000897315715 583918866 /nfs/dbraw/zinc/91/88/66/583918866.db2.gz PQAKZIMXWBGEIF-UHFFFAOYSA-N 1 0 232.327 2.461 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cncc(O)c1 ZINC000897315794 583919073 /nfs/dbraw/zinc/91/90/73/583919073.db2.gz RUMIFTVCEHJYDE-WDEREUQCSA-N 1 0 220.316 2.478 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000799716824 583966144 /nfs/dbraw/zinc/96/61/44/583966144.db2.gz YRYNRWHVTVPLDE-SWHYSGLUSA-N 1 0 248.301 2.141 20 30 BEEDRO CNC(NCC1CCC(C(C)C)CC1)=[NH+]C ZINC000119074439 583968587 /nfs/dbraw/zinc/96/85/87/583968587.db2.gz YNXJGQUHKUFYCQ-UHFFFAOYSA-N 1 0 225.380 2.244 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(OC)cc1 ZINC000858332246 588945939 /nfs/dbraw/zinc/94/59/39/588945939.db2.gz QMQWNZVDJAHAQW-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334457 588946527 /nfs/dbraw/zinc/94/65/27/588946527.db2.gz NQILRQZODWSFRN-RZFFKMDDSA-N 1 0 235.371 2.439 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(C#N)cc1 ZINC000858333441 588946579 /nfs/dbraw/zinc/94/65/79/588946579.db2.gz GRFABEXLFKSBMK-HNNXBMFYSA-N 1 0 242.322 2.076 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334899 588946654 /nfs/dbraw/zinc/94/66/54/588946654.db2.gz SVRMETIELKAGNH-GHYVTOPFSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000858335298 588946896 /nfs/dbraw/zinc/94/68/96/588946896.db2.gz XGKLAABGMCWZQE-UPJWGTAASA-N 1 0 241.400 2.289 20 30 BEEDRO C#Cc1cccc(NC(=O)CCCC[NH+](C)C)c1 ZINC000729284035 583989421 /nfs/dbraw/zinc/98/94/21/583989421.db2.gz PUJFNVPQKMHPAV-UHFFFAOYSA-N 1 0 244.338 2.338 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(CC)c1 ZINC000858335264 588947254 /nfs/dbraw/zinc/94/72/54/588947254.db2.gz WPKNYXWXBKKYHU-HNNXBMFYSA-N 1 0 231.339 2.377 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000858335482 588947329 /nfs/dbraw/zinc/94/73/29/588947329.db2.gz ZLGXXTXWKUIZJP-XHSDSOJGSA-N 1 0 243.350 2.418 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(C3(O)CCC3)CC2)C1 ZINC000897528570 584006091 /nfs/dbraw/zinc/00/60/91/584006091.db2.gz LBTONJBBIQEGSD-QWHCGFSZSA-N 1 0 248.370 2.354 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2CCN(C)C2)c1 ZINC000729682558 584022596 /nfs/dbraw/zinc/02/25/96/584022596.db2.gz VDOPEHVIAPBJAF-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C(CC)CC ZINC000729809051 584026039 /nfs/dbraw/zinc/02/60/39/584026039.db2.gz IMCLVZRITNJZKS-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1nc(C#N)cs1 ZINC000897628350 584033093 /nfs/dbraw/zinc/03/30/93/584033093.db2.gz HJARSYQYYZSCBT-VIFPVBQESA-N 1 0 234.328 2.044 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897814652 584047117 /nfs/dbraw/zinc/04/71/17/584047117.db2.gz YCYOFUNQYGVSMG-SEBNEYGDSA-N 1 0 233.355 2.336 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+]Cc3ccc(C#N)o3)C2)CO1 ZINC000897780429 584047560 /nfs/dbraw/zinc/04/75/60/584047560.db2.gz GXUMQQIBYXTKTD-CDWSIMAYSA-N 1 0 246.310 2.198 20 30 BEEDRO C=C1CCC(C(=O)NC[C@@H](C)C[NH+](C)C)CC1 ZINC000897824199 584052206 /nfs/dbraw/zinc/05/22/06/584052206.db2.gz WYUPGQGCGDXVMN-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CC12CC(O)C2 ZINC000897848435 584054200 /nfs/dbraw/zinc/05/42/00/584054200.db2.gz LJLMMMKLJUAHBJ-UVRVNTCESA-N 1 0 209.333 2.090 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2COCC[C@H]2OC)C1 ZINC000897890810 584057618 /nfs/dbraw/zinc/05/76/18/584057618.db2.gz ZVQHASWEPSSVLA-XJFOESAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000898017794 584075508 /nfs/dbraw/zinc/07/55/08/584075508.db2.gz SVGOGOWJOXXDQT-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cnn(CC)n1)C1CC1 ZINC000858443057 588955264 /nfs/dbraw/zinc/95/52/64/588955264.db2.gz FILLFOUOAHJNSX-CYBMUJFWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@@]1(OC)CCOC1 ZINC000898244880 584099967 /nfs/dbraw/zinc/09/99/67/584099967.db2.gz SUADQDOZKWCAHY-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@]1(OC)CCOC1 ZINC000898244878 584100028 /nfs/dbraw/zinc/10/00/28/584100028.db2.gz SUADQDOZKWCAHY-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnc2n1CCOC2 ZINC000898268197 584104063 /nfs/dbraw/zinc/10/40/63/584104063.db2.gz XAOVMIPIPMLVEP-GFCCVEGCSA-N 1 0 249.358 2.248 20 30 BEEDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000898314330 584110825 /nfs/dbraw/zinc/11/08/25/584110825.db2.gz USTMJSLOLCKAIC-IHRRRGAJSA-N 1 0 237.391 2.245 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898376897 584113857 /nfs/dbraw/zinc/11/38/57/584113857.db2.gz PNFBMCUDLVAATH-WXHSDQCUSA-N 1 0 236.359 2.329 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C/C=C\Cl ZINC000898429511 584133772 /nfs/dbraw/zinc/13/37/72/584133772.db2.gz OZUCIVIRPRBEGL-UTCJRWHESA-N 1 0 249.745 2.466 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000898458048 584137471 /nfs/dbraw/zinc/13/74/71/584137471.db2.gz VYPWXCHXMQUAFK-UHFFFAOYSA-N 1 0 232.327 2.100 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000898457754 584137615 /nfs/dbraw/zinc/13/76/15/584137615.db2.gz SWFNJZAXUPHDKA-UHFFFAOYSA-N 1 0 240.310 2.260 20 30 BEEDRO C=C1CCC(C(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000898670581 584148302 /nfs/dbraw/zinc/14/83/02/584148302.db2.gz YISUKRGDIXQUGJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000898701022 584150748 /nfs/dbraw/zinc/15/07/48/584150748.db2.gz IKULYRKMAAMSLS-AWEZNQCLSA-N 1 0 248.370 2.182 20 30 BEEDRO C=CCN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000899146900 584176819 /nfs/dbraw/zinc/17/68/19/584176819.db2.gz CHYCDYXMPVOFGN-LBPRGKRZSA-N 1 0 238.375 2.282 20 30 BEEDRO CCNC(NCC[C@@H]1CCC(F)(F)C1)=[NH+]CC ZINC000899263568 584191133 /nfs/dbraw/zinc/19/11/33/584191133.db2.gz CWYNJLCVKNWXAO-JTQLQIEISA-N 1 0 247.333 2.387 20 30 BEEDRO C[C@H](NC(=[NH2+])NCC(C)(C)CCC#N)C1CC1 ZINC000899271602 584191714 /nfs/dbraw/zinc/19/17/14/584191714.db2.gz HWQGYVAHPCWRFK-JTQLQIEISA-N 1 0 236.363 2.229 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(C)c1 ZINC000899911292 584253029 /nfs/dbraw/zinc/25/30/29/584253029.db2.gz RMYALMSOROOIDV-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1 ZINC000899911928 584253930 /nfs/dbraw/zinc/25/39/30/584253930.db2.gz ZSFAKOWMFFMUSD-UHFFFAOYSA-N 1 0 218.300 2.133 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC1CCCCCC1 ZINC000899931621 584256781 /nfs/dbraw/zinc/25/67/81/584256781.db2.gz VHGLYKVRSOGFKA-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@H](CC)Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017553 584266883 /nfs/dbraw/zinc/26/68/83/584266883.db2.gz LXJROFLXKCKJLC-LLVKDONJSA-N 1 0 249.358 2.366 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCCCC ZINC000900075778 584269913 /nfs/dbraw/zinc/26/99/13/584269913.db2.gz CUZNBCJYPPDOBF-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)C(C)(C)C ZINC000900119644 584274695 /nfs/dbraw/zinc/27/46/95/584274695.db2.gz QCMCHLRIVNBKQE-GFCCVEGCSA-N 1 0 240.391 2.387 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](CC)C1 ZINC000900180467 584282941 /nfs/dbraw/zinc/28/29/41/584282941.db2.gz NMOLBUWPLIOYHK-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1C(C)C ZINC000900378506 584299552 /nfs/dbraw/zinc/29/95/52/584299552.db2.gz KANYMGHYESYXPW-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1ccc(C)cc1 ZINC000900491167 584316897 /nfs/dbraw/zinc/31/68/97/584316897.db2.gz FQOFTSCDODNEGN-UHFFFAOYSA-N 1 0 246.354 2.466 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1cccc(C)c1 ZINC000900519437 584320553 /nfs/dbraw/zinc/32/05/53/584320553.db2.gz VKZVABCYWHFMPU-UHFFFAOYSA-N 1 0 246.354 2.466 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000900565538 584325631 /nfs/dbraw/zinc/32/56/31/584325631.db2.gz MADVNTWGINRWHV-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900585535 584331945 /nfs/dbraw/zinc/33/19/45/584331945.db2.gz SRZMHOMZFGWCHK-ZIAGYGMSSA-N 1 0 248.370 2.182 20 30 BEEDRO C#CCCCCCCn1cc(CCCC[NH3+])nn1 ZINC000900644076 584338200 /nfs/dbraw/zinc/33/82/00/584338200.db2.gz SNAFVZKLCFKHHY-UHFFFAOYSA-N 1 0 248.374 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCCC[C@@H]1C ZINC000900716920 584344343 /nfs/dbraw/zinc/34/43/43/584344343.db2.gz DYCIRKOMPKKXQQ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC(C)(C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000900863114 584358338 /nfs/dbraw/zinc/35/83/38/584358338.db2.gz SGFTVGIEDUQDOA-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)C[C@@H](C)CC ZINC000900943500 584368449 /nfs/dbraw/zinc/36/84/49/584368449.db2.gz FJFYSMFHNATOBT-LBPRGKRZSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC1(C)C ZINC000900971973 584369166 /nfs/dbraw/zinc/36/91/66/584369166.db2.gz HPMXHVZYQPVPHZ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(O)cc1C ZINC000901163756 584394241 /nfs/dbraw/zinc/39/42/41/584394241.db2.gz ZOTYYVGCXKQSMU-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO CCNN=C1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000901278466 584413941 /nfs/dbraw/zinc/41/39/41/584413941.db2.gz FOVHZBNEVUEWIB-ZDUSSCGKSA-N 1 0 223.364 2.380 20 30 BEEDRO N#C[C@@H]1CCC[C@@H](NC[C@H]2CCCCC[NH2+]2)C1 ZINC000902482142 584624347 /nfs/dbraw/zinc/62/43/47/584624347.db2.gz JPOYHLAELHXKSF-MGPQQGTHSA-N 1 0 235.375 2.191 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000801929129 584654695 /nfs/dbraw/zinc/65/46/95/584654695.db2.gz GHFAAERTCSPOBW-OCCSQVGLSA-N 1 0 247.342 2.091 20 30 BEEDRO CC[C@@H]([NH2+]CCOC)c1cccc(C#N)c1 ZINC000902720370 584659572 /nfs/dbraw/zinc/65/95/72/584659572.db2.gz IRNIFHPIIDOONY-CYBMUJFWSA-N 1 0 218.300 2.245 20 30 BEEDRO CCO[C@H](C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000859105649 589003018 /nfs/dbraw/zinc/00/30/18/589003018.db2.gz OJLINRKTLXXAQB-CYBMUJFWSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H]([NH2+]CCc1ccco1)c1cc(C#N)ccn1 ZINC000902724970 584660689 /nfs/dbraw/zinc/66/06/89/584660689.db2.gz NAMLNNKIOJVZNX-NSHDSACASA-N 1 0 241.294 2.440 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccco1)c1cc(C#N)ccn1 ZINC000902724969 584660968 /nfs/dbraw/zinc/66/09/68/584660968.db2.gz NAMLNNKIOJVZNX-LLVKDONJSA-N 1 0 241.294 2.440 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCCOC1)c1cc(C#N)ccn1 ZINC000902759045 584665549 /nfs/dbraw/zinc/66/55/49/584665549.db2.gz ODDNHANHIKXEKL-WCQYABFASA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@H]([NH2+]C[C@]1(C)CCOC1)c1cc(C#N)ccn1 ZINC000902802893 584671563 /nfs/dbraw/zinc/67/15/63/584671563.db2.gz QTZMOTMQEHYJEO-FZMZJTMJSA-N 1 0 245.326 2.030 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)O)c1cccc(C#N)c1 ZINC000902800865 584675171 /nfs/dbraw/zinc/67/51/71/584675171.db2.gz VRXNDFFFCOBNGL-ZDUSSCGKSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)CO)[C@]1(C)CCCCO1 ZINC000902822280 584676506 /nfs/dbraw/zinc/67/65/06/584676506.db2.gz UTMMWRCDQCDZAA-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H](C[NH2+][C@@H](C)c1cc(C#N)ccn1)C[C@H](C)O ZINC000902813755 584678115 /nfs/dbraw/zinc/67/81/15/584678115.db2.gz GRYRCNVSXPDFGW-WOPDTQHZSA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902813754 584678290 /nfs/dbraw/zinc/67/82/90/584678290.db2.gz GRYRCNVSXPDFGW-SRVKXCTJSA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cc(C#N)ccn1 ZINC000902832810 584678563 /nfs/dbraw/zinc/67/85/63/584678563.db2.gz QHSNBHBYNGNILA-ZYHUDNBSSA-N 1 0 247.367 2.499 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccn(C)c1)c1cc(C#N)ccn1 ZINC000902832522 584678573 /nfs/dbraw/zinc/67/85/73/584678573.db2.gz WAHMGPKQDYBORI-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@H]([NH2+]C1CC=CC1)c1cc(C#N)ccn1 ZINC000902842017 584680441 /nfs/dbraw/zinc/68/04/41/584680441.db2.gz ULUINQWOSPGHTE-JTQLQIEISA-N 1 0 213.284 2.322 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902871595 584684059 /nfs/dbraw/zinc/68/40/59/584684059.db2.gz QXDJJGPNYGBPIN-KKJSVHSVSA-N 1 0 227.735 2.142 20 30 BEEDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902872737 584684062 /nfs/dbraw/zinc/68/40/62/584684062.db2.gz NAFPUUMJJQZQDE-DGCLKSJQSA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@H]([NH2+]CCN1CCC1)c1cccc(C#N)c1 ZINC000902887083 584688829 /nfs/dbraw/zinc/68/88/29/584688829.db2.gz YBIBLBDNLJIQIV-HNNXBMFYSA-N 1 0 243.354 2.305 20 30 BEEDRO CC[C@@H]([NH2+]CCN1CCC1)c1cccc(C#N)c1 ZINC000902887092 584688898 /nfs/dbraw/zinc/68/88/98/584688898.db2.gz YBIBLBDNLJIQIV-OAHLLOKOSA-N 1 0 243.354 2.305 20 30 BEEDRO C[C@@H](CO)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902889346 584689549 /nfs/dbraw/zinc/68/95/49/584689549.db2.gz HXSKRNODTOFJLP-NEPJUHHUSA-N 1 0 247.342 2.012 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902888036 584689814 /nfs/dbraw/zinc/68/98/14/584689814.db2.gz PKCRVUOSDCUUAL-LBPRGKRZSA-N 1 0 245.326 2.197 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902966038 584701817 /nfs/dbraw/zinc/70/18/17/584701817.db2.gz YCUZHMBIRLORBW-NSHDSACASA-N 1 0 247.342 2.419 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902951918 584704523 /nfs/dbraw/zinc/70/45/23/584704523.db2.gz SLRXBEFRSRWTTM-YVECIDJPSA-N 1 0 209.333 2.092 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902962540 584706784 /nfs/dbraw/zinc/70/67/84/584706784.db2.gz GJVNNSVMJLDETF-WDEREUQCSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@H](C#N)OCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000801939212 584708106 /nfs/dbraw/zinc/70/81/06/584708106.db2.gz NSDAADITXMOFIX-LLVKDONJSA-N 1 0 248.301 2.333 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(N(C)C)c1 ZINC000746456858 584708822 /nfs/dbraw/zinc/70/88/22/584708822.db2.gz OFFAZZWRPNCRBJ-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902987585 584708952 /nfs/dbraw/zinc/70/89/52/584708952.db2.gz OUUBWYPUGSAHRZ-OUJBWJOFSA-N 1 0 247.367 2.355 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902995295 584710470 /nfs/dbraw/zinc/71/04/70/584710470.db2.gz AZIMXVLTKODGKC-MXWKQRLJSA-N 1 0 233.315 2.027 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902972849 584712838 /nfs/dbraw/zinc/71/28/38/584712838.db2.gz JPPMFUAYVQNVOP-GMXVVIOVSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902975084 584713292 /nfs/dbraw/zinc/71/32/92/584713292.db2.gz CDZHQQPYBPXPNE-ZYHUDNBSSA-N 1 0 247.367 2.357 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(C#N)ccn1 ZINC000903019758 584713847 /nfs/dbraw/zinc/71/38/47/584713847.db2.gz QSAWKBXLXXRIPC-CABZTGNLSA-N 1 0 215.300 2.402 20 30 BEEDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903018472 584713946 /nfs/dbraw/zinc/71/39/46/584713946.db2.gz CSCHVVHYUYGQBB-NWDGAFQWSA-N 1 0 247.342 2.276 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)CO)c1cc(C#N)ccn1 ZINC000903004512 584716962 /nfs/dbraw/zinc/71/69/62/584716962.db2.gz CXUFSPHTUKKVKK-LLVKDONJSA-N 1 0 247.342 2.012 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903011404 584717636 /nfs/dbraw/zinc/71/76/36/584717636.db2.gz DYYSSARYUDEFRV-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903014637 584717911 /nfs/dbraw/zinc/71/79/11/584717911.db2.gz ZEPITLCDKISKGR-QSLWVIQJSA-N 1 0 221.344 2.356 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903014636 584718044 /nfs/dbraw/zinc/71/80/44/584718044.db2.gz ZEPITLCDKISKGR-ODXJTPSBSA-N 1 0 221.344 2.356 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(C#N)ccn1 ZINC000903020070 584718122 /nfs/dbraw/zinc/71/81/22/584718122.db2.gz VFMVGSXSBNQWEE-SCVCMEIPSA-N 1 0 247.367 2.498 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@]1(C)CCCO1 ZINC000903033273 584718569 /nfs/dbraw/zinc/71/85/69/584718569.db2.gz RPUILOJNKCXSHH-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cc(C#N)ccn1 ZINC000903037623 584720084 /nfs/dbraw/zinc/72/00/84/584720084.db2.gz NCTAUFNAWBGUQK-NHCYSSNCSA-N 1 0 247.367 2.498 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cccc(C#N)c1 ZINC000903072744 584726408 /nfs/dbraw/zinc/72/64/08/584726408.db2.gz PDQZYGUOZVXMFY-VHDGCEQUSA-N 1 0 244.338 2.370 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000903200354 584735255 /nfs/dbraw/zinc/73/52/55/584735255.db2.gz QYYDXUHSPRBXJU-CABCVRRESA-N 1 0 244.338 2.258 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903205175 584735962 /nfs/dbraw/zinc/73/59/62/584735962.db2.gz DTXWFMJDXVLCEQ-TZMCWYRMSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000903302059 584744492 /nfs/dbraw/zinc/74/44/92/584744492.db2.gz YFBJIZHPRFJJKC-WUHRBBMRSA-N 1 0 210.365 2.269 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H]2C)C1 ZINC000903301306 584744502 /nfs/dbraw/zinc/74/45/02/584744502.db2.gz QCIZJDQDKPMWEQ-RFQIPJPRSA-N 1 0 222.376 2.413 20 30 BEEDRO C[C@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1C ZINC000903301801 584744750 /nfs/dbraw/zinc/74/47/50/584744750.db2.gz UJTYIDFMSIFACN-RJZJGCCBSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C)[C@H]2C)C1 ZINC000903301304 584744854 /nfs/dbraw/zinc/74/48/54/584744854.db2.gz QCIZJDQDKPMWEQ-CRWXNKLISA-N 1 0 222.376 2.413 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCN1C ZINC000903315819 584749149 /nfs/dbraw/zinc/74/91/49/584749149.db2.gz JVNRSGARCDGVJN-MGPQQGTHSA-N 1 0 222.376 2.415 20 30 BEEDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(C#N)cc1 ZINC000903316602 584750076 /nfs/dbraw/zinc/75/00/76/584750076.db2.gz GEUUSCLNQBNOJB-CABCVRRESA-N 1 0 243.354 2.303 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000903330075 584754087 /nfs/dbraw/zinc/75/40/87/584754087.db2.gz HLHRZFHMZXENLJ-QJPTWQEYSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@H](O)C1CC1)C1CC1 ZINC000903406347 584758677 /nfs/dbraw/zinc/75/86/77/584758677.db2.gz HXJRQGHKYOYQAJ-KGLIPLIRSA-N 1 0 223.360 2.482 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCCC[C@@H]2CN)CC1 ZINC000903422278 584763882 /nfs/dbraw/zinc/76/38/82/584763882.db2.gz WRJXUBSYDDUGAW-JXQTWKCFSA-N 1 0 235.375 2.130 20 30 BEEDRO C[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)[C@H]1CN ZINC000903424961 584765472 /nfs/dbraw/zinc/76/54/72/584765472.db2.gz NKOSWRPKSHUWKU-PPWQZUPISA-N 1 0 249.402 2.376 20 30 BEEDRO CCC[C@@H]1CNCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903447276 584770839 /nfs/dbraw/zinc/77/08/39/584770839.db2.gz MFEYAJCXYZCUQS-YMAMQOFZSA-N 1 0 249.402 2.390 20 30 BEEDRO N#CC1CCC(CN2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000903476201 584777482 /nfs/dbraw/zinc/77/74/82/584777482.db2.gz QDWPZDUMQGPMGF-WUCCLRPBSA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@H]1[C@@H]([NH3+])CCN1CCCCC1(C#N)CCC1 ZINC000903751156 584795366 /nfs/dbraw/zinc/79/53/66/584795366.db2.gz BOAUVKSDBLUFFB-STQMWFEESA-N 1 0 235.375 2.272 20 30 BEEDRO C=CCN1CCCc2cc(CC[NH3+])ccc21 ZINC000903869144 584813628 /nfs/dbraw/zinc/81/36/28/584813628.db2.gz CGSLIJUEPLUNBU-UHFFFAOYSA-N 1 0 216.328 2.126 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCC[C@@]23CC[NH2+]C3)CC1 ZINC000903871339 584815640 /nfs/dbraw/zinc/81/56/40/584815640.db2.gz SLBIDHFMROBJQE-NRXISQOPSA-N 1 0 247.386 2.144 20 30 BEEDRO C=CCC1([NH2+]C[C@H](N)CC(F)F)CCCC1 ZINC000903933274 584825233 /nfs/dbraw/zinc/82/52/33/584825233.db2.gz NRHXFXVLDSGBBH-SNVBAGLBSA-N 1 0 232.318 2.447 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@@H]([NH3+])C(C)C)no1 ZINC000904076090 584839586 /nfs/dbraw/zinc/83/95/86/584839586.db2.gz VYNXLSQQJNPGRY-JTQLQIEISA-N 1 0 223.320 2.480 20 30 BEEDRO C=CCCc1noc(C23CCC[NH+](CCC2)C3)n1 ZINC000904083575 584840080 /nfs/dbraw/zinc/84/00/80/584840080.db2.gz MLIVBOMRJZVQDK-UHFFFAOYSA-N 1 0 247.342 2.316 20 30 BEEDRO CCCCCCN(O)C(=O)[C@@H](CC)[NH+](C)C ZINC000904204264 584852117 /nfs/dbraw/zinc/85/21/17/584852117.db2.gz IKPMYDSDRXYREI-LLVKDONJSA-N 1 0 230.352 2.125 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CCC[C@@H]1O ZINC000877071121 584889717 /nfs/dbraw/zinc/88/97/17/584889717.db2.gz FABGESZNQHSCTR-KGLIPLIRSA-N 1 0 223.360 2.321 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1C[C@@H]1C ZINC000840746401 584904680 /nfs/dbraw/zinc/90/46/80/584904680.db2.gz CYBDRZGAAIMVIU-BPNCWPANSA-N 1 0 229.327 2.477 20 30 BEEDRO C=CCC[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000753767231 584906341 /nfs/dbraw/zinc/90/63/41/584906341.db2.gz CLWCVVIHUXVWER-UHFFFAOYSA-N 1 0 239.359 2.428 20 30 BEEDRO CCn1nccc1C[NH2+]CC#Cc1ccccc1 ZINC000753852724 584907273 /nfs/dbraw/zinc/90/72/73/584907273.db2.gz FMGUGXVNVLJBOE-UHFFFAOYSA-N 1 0 239.322 2.044 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000829810418 584907756 /nfs/dbraw/zinc/90/77/56/584907756.db2.gz PTGHOACGUZSRCO-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCO[NH+]=Cc1c(C)cc(N)cc1C ZINC000835013232 584918277 /nfs/dbraw/zinc/91/82/77/584918277.db2.gz MUHYIHJGPKKMDE-UHFFFAOYSA-N 1 0 204.273 2.422 20 30 BEEDRO CCO[C@H]1CC(=[NH+]n2cnnc2)C12CCCCC2 ZINC000741450956 584925388 /nfs/dbraw/zinc/92/53/88/584925388.db2.gz HOKCTYQGPNXHNG-LBPRGKRZSA-N 1 0 248.330 2.242 20 30 BEEDRO CCC[NH+](CCC)CCCC(=O)O[C@@H](C)C#N ZINC000731905502 584930961 /nfs/dbraw/zinc/93/09/61/584930961.db2.gz MIACZOIPDRBPRS-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO CCN(CC)[C@H](C(=O)OCC#N)c1ccccc1 ZINC000731907024 584930989 /nfs/dbraw/zinc/93/09/89/584930989.db2.gz DGLNYBNXIZNHEQ-ZDUSSCGKSA-N 1 0 246.310 2.136 20 30 BEEDRO C#CCN(CC[NH+]1CCCC1)Cc1ccccc1 ZINC000732202010 584934823 /nfs/dbraw/zinc/93/48/23/584934823.db2.gz CZJFEBCVTOEOOH-UHFFFAOYSA-N 1 0 242.366 2.218 20 30 BEEDRO c1nncn1[NH+]=C1CCC[C@@H]1c1ccccc1 ZINC000732527142 584938372 /nfs/dbraw/zinc/93/83/72/584938372.db2.gz JSZFHYFEAPHFTL-GFCCVEGCSA-N 1 0 226.283 2.450 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+][C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000765937163 584938564 /nfs/dbraw/zinc/93/85/64/584938564.db2.gz BFFFZTXGKOBXLF-JHJVBQTASA-N 1 0 248.326 2.293 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000766902573 584944603 /nfs/dbraw/zinc/94/46/03/584944603.db2.gz LGFLTOLKTFDACU-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)[C@@H]1CC1(C)C ZINC000841451026 584948216 /nfs/dbraw/zinc/94/82/16/584948216.db2.gz NFKWABJGQWTDTA-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N=Nc2cccnn2)CC1 ZINC000735977282 584985925 /nfs/dbraw/zinc/98/59/25/584985925.db2.gz XEFKDDMUYCJIHW-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO N#CCC1(C[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000819280767 585000730 /nfs/dbraw/zinc/00/07/30/585000730.db2.gz NFPZRCNNCBCOGO-ZDUSSCGKSA-N 1 0 248.301 2.143 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000774212454 585028052 /nfs/dbraw/zinc/02/80/52/585028052.db2.gz XHBCKEHRWNOTEI-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000825227675 585029315 /nfs/dbraw/zinc/02/93/15/585029315.db2.gz XNINODWLDHWVIC-OAHLLOKOSA-N 1 0 229.323 2.184 20 30 BEEDRO c1nncn1[NH+]=C1CCC[C@@H](C2CC2)C1 ZINC000737414099 585031866 /nfs/dbraw/zinc/03/18/66/585031866.db2.gz QQWNVWKTQOGQNK-SNVBAGLBSA-N 1 0 204.277 2.082 20 30 BEEDRO C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)C[C@H]1C ZINC000886027374 585036324 /nfs/dbraw/zinc/03/63/24/585036324.db2.gz DTGNUKNYCJZCOW-XQQFMLRXSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838982583 585084201 /nfs/dbraw/zinc/08/42/01/585084201.db2.gz ZJLSABXTJXDQKY-UHFFFAOYSA-N 1 0 228.339 2.463 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000838987372 585084690 /nfs/dbraw/zinc/08/46/90/585084690.db2.gz DIYRLDUFHBPDLD-OPRDCNLKSA-N 1 0 235.780 2.238 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cnn(CC)n1 ZINC000838986299 585084709 /nfs/dbraw/zinc/08/47/09/585084709.db2.gz RPYRCRKGKTYJRD-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C#CCC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000839142958 585094688 /nfs/dbraw/zinc/09/46/88/585094688.db2.gz LQTDYTLKXAXSMV-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO CC(=[NH+]NCC(F)F)c1ccc(N(C)C)cc1 ZINC000740617173 585104329 /nfs/dbraw/zinc/10/43/29/585104329.db2.gz DLAVBCZQDUESKU-UHFFFAOYSA-N 1 0 241.285 2.331 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(n2cccn2)CC1 ZINC000839487945 585104976 /nfs/dbraw/zinc/10/49/76/585104976.db2.gz NUMIEZTXAAEJIS-GFCCVEGCSA-N 1 0 232.331 2.212 20 30 BEEDRO C=C(C)COC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000741018468 585109295 /nfs/dbraw/zinc/10/92/95/585109295.db2.gz GEXDYEZQHIAEFX-SRVKXCTJSA-N 1 0 225.332 2.367 20 30 BEEDRO C=CCCOC(=O)[C@@H](CC)[NH+](CC)CC ZINC000741033889 585109693 /nfs/dbraw/zinc/10/96/93/585109693.db2.gz VMTJAEUSBQQNOG-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H]2CC=CCC2)C1 ZINC000886213260 585113368 /nfs/dbraw/zinc/11/33/68/585113368.db2.gz OUIXQLMNFDJKSQ-LSDHHAIUSA-N 1 0 232.371 2.030 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](OCC)C2CC2)C1 ZINC000886366024 585134713 /nfs/dbraw/zinc/13/47/13/585134713.db2.gz VLETVTHSBLTVLT-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCC1([NH2+]Cc2cccs2)CCOCC1 ZINC000886381390 585135323 /nfs/dbraw/zinc/13/53/23/585135323.db2.gz AAPRVGQJDWJCNR-UHFFFAOYSA-N 1 0 235.352 2.410 20 30 BEEDRO C=C(Cl)C[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000839527849 585141981 /nfs/dbraw/zinc/14/19/81/585141981.db2.gz SVHWITKVALUVEP-ZYHUDNBSSA-N 1 0 245.750 2.450 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCOCC1 ZINC000746400911 585167784 /nfs/dbraw/zinc/16/77/84/585167784.db2.gz MXCLUYGHHLSERT-OCCSQVGLSA-N 1 0 249.358 2.225 20 30 BEEDRO CCCCCCC[N@@H+]1CCn2cnnc2C1 ZINC000746665285 585171890 /nfs/dbraw/zinc/17/18/90/585171890.db2.gz BHQCUSBNHLIYFX-UHFFFAOYSA-N 1 0 222.336 2.064 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000886663011 585172438 /nfs/dbraw/zinc/17/24/38/585172438.db2.gz RELILGVQKLTNRT-ZIAGYGMSSA-N 1 0 232.371 2.006 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCC23CCC3)C1 ZINC000886663009 585172566 /nfs/dbraw/zinc/17/25/66/585172566.db2.gz RELILGVQKLTNRT-KGLIPLIRSA-N 1 0 232.371 2.006 20 30 BEEDRO C=CCCCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000748322288 585190710 /nfs/dbraw/zinc/19/07/10/585190710.db2.gz PCAZCXUXJSZRKG-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)C1CCCCCCC1 ZINC000748806399 585196742 /nfs/dbraw/zinc/19/67/42/585196742.db2.gz YQAMOCBMIYIFML-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@@H](C=[NH+]n1cnnc1)CCc1ccccc1 ZINC000749158701 585200302 /nfs/dbraw/zinc/20/03/02/585200302.db2.gz SAKBYIGVXPMFKS-GFCCVEGCSA-N 1 0 228.299 2.381 20 30 BEEDRO CC(C)CON=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000749631109 585204862 /nfs/dbraw/zinc/20/48/62/585204862.db2.gz HNVXLRFMNLUMDU-LLVKDONJSA-N 1 0 212.337 2.375 20 30 BEEDRO CNC(NCc1csc2ccccc12)=[NH+]C ZINC000750543332 585217237 /nfs/dbraw/zinc/21/72/37/585217237.db2.gz PGHBNBJGDZWXFW-UHFFFAOYSA-N 1 0 233.340 2.196 20 30 BEEDRO COc1ccc(N=NC2C[N@H+](C)C[C@@H]2C)cc1 ZINC000750946025 585223039 /nfs/dbraw/zinc/22/30/39/585223039.db2.gz MHJOKWHDTHBLHE-JTQLQIEISA-N 1 0 233.315 2.045 20 30 BEEDRO C(=[NH+]n1cnnc1)[C@@H]1CCCc2ccccc21 ZINC000752156572 585242784 /nfs/dbraw/zinc/24/27/84/585242784.db2.gz FFUVUTCMIOBJMU-LBPRGKRZSA-N 1 0 226.283 2.232 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cccc(F)c1 ZINC000752163872 585243263 /nfs/dbraw/zinc/24/32/63/585243263.db2.gz FNACHLYUNOLLCI-SECBINFHSA-N 1 0 221.279 2.175 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(Cl)nc1 ZINC000752856632 585250948 /nfs/dbraw/zinc/25/09/48/585250948.db2.gz PMCNIQCEXKCPCK-LLVKDONJSA-N 1 0 240.734 2.104 20 30 BEEDRO C#CCOCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000753760832 585268225 /nfs/dbraw/zinc/26/82/25/585268225.db2.gz KVGCFUBBMWJXCF-HNNXBMFYSA-N 1 0 229.323 2.377 20 30 BEEDRO C=CC[N@@H+](C)CC1CCC2(CC1)OCCO2 ZINC000753770667 585268510 /nfs/dbraw/zinc/26/85/10/585268510.db2.gz PMMRJGRDEJFMDK-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)C1CCC1 ZINC000753936703 585272615 /nfs/dbraw/zinc/27/26/15/585272615.db2.gz AKZNZXHEEVAYHU-TXEJJXNPSA-N 1 0 234.347 2.022 20 30 BEEDRO C#CC[N@H+](CC)CCN(C)c1ccccc1 ZINC000754649870 585288582 /nfs/dbraw/zinc/28/85/82/585288582.db2.gz NBJQOMFTCCTJLV-UHFFFAOYSA-N 1 0 216.328 2.078 20 30 BEEDRO C(=[NH+]n1cnnc1-c1ccccc1)C1CC1 ZINC000755617301 585302262 /nfs/dbraw/zinc/30/22/62/585302262.db2.gz KDGWBUOVRCTWHE-UHFFFAOYSA-N 1 0 212.256 2.189 20 30 BEEDRO CCSc1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000755634819 585303082 /nfs/dbraw/zinc/30/30/82/585303082.db2.gz ZAKFDNYSSRAGPN-UHFFFAOYSA-N 1 0 236.344 2.006 20 30 BEEDRO Cc1[nH]cnc1C=NNCc1ccc(Cl)cc1 ZINC000755774934 585306817 /nfs/dbraw/zinc/30/68/17/585306817.db2.gz XHHLHGRGSYCEOY-UHFFFAOYSA-N 1 0 248.717 2.495 20 30 BEEDRO COC[C@H](C)C=[NH+]n1cnc2ccccc21 ZINC000755891778 585309441 /nfs/dbraw/zinc/30/94/41/585309441.db2.gz GTFRMKNPLDADRK-SNVBAGLBSA-N 1 0 217.272 2.153 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(F)cn1 ZINC000755893196 585309649 /nfs/dbraw/zinc/30/96/49/585309649.db2.gz IYZHKDCZIFSPJH-VIFPVBQESA-N 1 0 248.305 2.103 20 30 BEEDRO Cc1ccnc(N=NC2C[N@H+](C3CC3)C[C@@H]2C)c1 ZINC000755902446 585309890 /nfs/dbraw/zinc/30/98/90/585309890.db2.gz MEEMJVMNSPGGJS-NSHDSACASA-N 1 0 244.342 2.272 20 30 BEEDRO Cc1ccnc(N=NC2CC[N@H+](C)[C@H](C)C2)c1 ZINC000755906415 585310020 /nfs/dbraw/zinc/31/00/20/585310020.db2.gz MOXCFFIRRVVMAG-LLVKDONJSA-N 1 0 232.331 2.272 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000839552135 585329629 /nfs/dbraw/zinc/32/96/29/585329629.db2.gz OXKHCIDBSQEROU-VHSXEESVSA-N 1 0 203.713 2.286 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000839552132 585329669 /nfs/dbraw/zinc/32/96/69/585329669.db2.gz OXKHCIDBSQEROU-NXEZZACHSA-N 1 0 203.713 2.286 20 30 BEEDRO N#CC1(CC[NH2+][C@H](CO)C2CC2)CCCCC1 ZINC000839557206 585329678 /nfs/dbraw/zinc/32/96/78/585329678.db2.gz XKVXRHZJPGZAQP-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO N#CC1(CC[NH2+][C@@H](CO)C2CC2)CCCCC1 ZINC000839557213 585329749 /nfs/dbraw/zinc/32/97/49/585329749.db2.gz XKVXRHZJPGZAQP-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(Cl)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000839549870 585330342 /nfs/dbraw/zinc/33/03/42/585330342.db2.gz DBBUQGHQHJQVPV-QWRGUYRKSA-N 1 0 215.724 2.286 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCC#N)[C@@H](O)c1ccccc1 ZINC000839600562 585331522 /nfs/dbraw/zinc/33/15/22/585331522.db2.gz FCHTWACOHJSIKE-KGLIPLIRSA-N 1 0 232.327 2.248 20 30 BEEDRO C=C(Cl)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000839615514 585332207 /nfs/dbraw/zinc/33/22/07/585332207.db2.gz VPWQLWJCLZGEPK-JTQLQIEISA-N 1 0 219.756 2.468 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000839615385 585332275 /nfs/dbraw/zinc/33/22/75/585332275.db2.gz UERTVZMVLPFBJT-RYUDHWBXSA-N 1 0 229.751 2.126 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000839636757 585332529 /nfs/dbraw/zinc/33/25/29/585332529.db2.gz UJKLFVNNTZMYAT-ZDUSSCGKSA-N 1 0 240.391 2.367 20 30 BEEDRO C#CCCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000839634013 585333101 /nfs/dbraw/zinc/33/31/01/585333101.db2.gz AOCKVYNALOAMMF-GJZGRUSLSA-N 1 0 229.323 2.208 20 30 BEEDRO CCCCCCC[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000839648734 585333368 /nfs/dbraw/zinc/33/33/68/585333368.db2.gz DFGBJDJQYTWGMW-KGLIPLIRSA-N 1 0 243.391 2.334 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000839655940 585333631 /nfs/dbraw/zinc/33/36/31/585333631.db2.gz KVHFNBMCLRPBIO-SECBINFHSA-N 1 0 203.713 2.286 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000839658760 585333917 /nfs/dbraw/zinc/33/39/17/585333917.db2.gz SKONJKUWGCLAAH-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO CC[C@@H](C)C[N@H+](CC)Cn1cccc(C#N)c1=O ZINC000758233116 585352473 /nfs/dbraw/zinc/35/24/73/585352473.db2.gz URZAZBMUJGNSLG-GFCCVEGCSA-N 1 0 247.342 2.045 20 30 BEEDRO C[C@@H]1C[C@@H]1C=[NH+]n1cnnc1-c1ccccc1 ZINC000758374250 585355147 /nfs/dbraw/zinc/35/51/47/585355147.db2.gz PRTMONRNGHKGBH-ZYHUDNBSSA-N 1 0 226.283 2.435 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000759073427 585363853 /nfs/dbraw/zinc/36/38/53/585363853.db2.gz YMDQLVKMRPZOTQ-GJZGRUSLSA-N 1 0 244.338 2.322 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000759073423 585363936 /nfs/dbraw/zinc/36/39/36/585363936.db2.gz YMDQLVKMRPZOTQ-CABCVRRESA-N 1 0 244.338 2.322 20 30 BEEDRO C#CCC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000760829281 585398168 /nfs/dbraw/zinc/39/81/68/585398168.db2.gz CFHJQPJJZCYVLN-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000760859983 585399918 /nfs/dbraw/zinc/39/99/18/585399918.db2.gz JYRIINHZCMEKNO-JSGCOSHPSA-N 1 0 245.322 2.150 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000760887548 585401326 /nfs/dbraw/zinc/40/13/26/585401326.db2.gz RKZGDIXOXLYUMD-MRXNPFEDSA-N 1 0 243.350 2.283 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](CCC(=O)OCC)C1 ZINC000760887560 585401354 /nfs/dbraw/zinc/40/13/54/585401354.db2.gz RNELMGJQKRESPG-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCC[N@H+](CCc1nccs1)C(C)C ZINC000760888207 585401429 /nfs/dbraw/zinc/40/14/29/585401429.db2.gz RZZFMXQHIOPUII-UHFFFAOYSA-N 1 0 222.357 2.419 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1ccccc1F ZINC000761109010 585409661 /nfs/dbraw/zinc/40/96/61/585409661.db2.gz MYELESICKHZCJI-GFCCVEGCSA-N 1 0 235.302 2.468 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(CC)cc1 ZINC000761106984 585409667 /nfs/dbraw/zinc/40/96/67/585409667.db2.gz BEXDLUKOGCUDGB-UHFFFAOYSA-N 1 0 231.339 2.331 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cc(C)ccc1C ZINC000761107038 585410030 /nfs/dbraw/zinc/41/00/30/585410030.db2.gz CLAPJYRHWIYTQB-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cccc(C)c1 ZINC000761110684 585410334 /nfs/dbraw/zinc/41/03/34/585410334.db2.gz UMFBYMYNWWNEIP-UHFFFAOYSA-N 1 0 217.312 2.077 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(F)cc2F)C[N@@H+]1C ZINC000761795371 585418507 /nfs/dbraw/zinc/41/85/07/585418507.db2.gz ZJHCVEPRGSRPCM-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc([N+](=O)[O-])cc2)C[N@@H+]1C ZINC000761792508 585418622 /nfs/dbraw/zinc/41/86/22/585418622.db2.gz LGBDKNUXCGYCLR-VIFPVBQESA-N 1 0 248.286 2.087 20 30 BEEDRO C=CCCC(=O)OCCC[NH+](CC)CC ZINC000763266669 585445476 /nfs/dbraw/zinc/44/54/76/585445476.db2.gz DTXUKRADGIKTMP-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO CCCCCCCC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763886345 585456088 /nfs/dbraw/zinc/45/60/88/585456088.db2.gz USPREDGPBOSIKD-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000763926403 585456991 /nfs/dbraw/zinc/45/69/91/585456991.db2.gz HEFLHGFTLXOBHD-UHFFFAOYSA-N 1 0 246.354 2.071 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1ccccc1C ZINC000763946677 585457489 /nfs/dbraw/zinc/45/74/89/585457489.db2.gz ZDACRPLRAHZLPC-CYBMUJFWSA-N 1 0 246.354 2.290 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000764675938 585470615 /nfs/dbraw/zinc/47/06/15/585470615.db2.gz DDSZEHCYDFDJDS-UHFFFAOYSA-N 1 0 245.322 2.389 20 30 BEEDRO C(C[C@@H]1CCOC1)=[NH+]n1cnc2ccccc21 ZINC000765564111 585489756 /nfs/dbraw/zinc/48/97/56/585489756.db2.gz MZFIKJDUTMSZFO-LLVKDONJSA-N 1 0 229.283 2.297 20 30 BEEDRO COc1cccc(N=NC2CC[N@@H+]3CCC[C@H]23)c1 ZINC000765565102 585489911 /nfs/dbraw/zinc/48/99/11/585489911.db2.gz QPMMAKKDLGWFPV-CQSZACIVSA-N 1 0 245.326 2.331 20 30 BEEDRO COc1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765585084 585490515 /nfs/dbraw/zinc/49/05/15/585490515.db2.gz WQWOSZVHJHWTIP-AWEZNQCLSA-N 1 0 245.326 2.331 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccncc1 ZINC000766020450 585496102 /nfs/dbraw/zinc/49/61/02/585496102.db2.gz PVLGECOCKJIEIP-VHDGCEQUSA-N 1 0 245.370 2.239 20 30 BEEDRO C=CC[N@H+](Cc1cnn(C)c1C)C(C)C ZINC000766021491 585496201 /nfs/dbraw/zinc/49/62/01/585496201.db2.gz AIPVGQAJVWWYAS-UHFFFAOYSA-N 1 0 207.321 2.125 20 30 BEEDRO C#CCCCOC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000766898550 585509754 /nfs/dbraw/zinc/50/97/54/585509754.db2.gz DKFOGIMSANSPHA-XQQFMLRXSA-N 1 0 237.343 2.204 20 30 BEEDRO C#CCCCOC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000766898547 585509957 /nfs/dbraw/zinc/50/99/57/585509957.db2.gz DKFOGIMSANSPHA-AVGNSLFASA-N 1 0 237.343 2.204 20 30 BEEDRO C#CCCC[N@@H+]1CCCC2(CCOCC2)C1 ZINC000766903482 585510877 /nfs/dbraw/zinc/51/08/77/585510877.db2.gz SDIRXWDTZWLPLG-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CCCCN1CC[N@@H+](C)CC12CCCCC2 ZINC000766906067 585511098 /nfs/dbraw/zinc/51/10/98/585511098.db2.gz PKQNUAMDHUSVQQ-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000766918712 585511494 /nfs/dbraw/zinc/51/14/94/585511494.db2.gz NCRTWYYUGBDNFP-UHFFFAOYSA-N 1 0 241.338 2.419 20 30 BEEDRO C#CCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000766917180 585511514 /nfs/dbraw/zinc/51/15/14/585511514.db2.gz FLNQUUHKMHUXLM-UHFFFAOYSA-N 1 0 215.296 2.164 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000766933037 585512224 /nfs/dbraw/zinc/51/22/24/585512224.db2.gz UBGKOAAYERKTLD-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO CCO[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000767464105 585520722 /nfs/dbraw/zinc/52/07/22/585520722.db2.gz ZKTJVPAAGULWKD-UHFFFAOYSA-N 1 0 231.299 2.407 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000767692046 585524834 /nfs/dbraw/zinc/52/48/34/585524834.db2.gz USQDCEFWUPXETD-UHFFFAOYSA-N 1 0 244.363 2.323 20 30 BEEDRO C=CC[N@@H+](CC(OCC)OCC)C(C)C ZINC000767758622 585525698 /nfs/dbraw/zinc/52/56/98/585525698.db2.gz JQMILTLSYAZFFK-UHFFFAOYSA-N 1 0 215.337 2.282 20 30 BEEDRO CCOC(CN(C[C@@H](C)C#N)C1CC1)OCC ZINC000767809898 585526395 /nfs/dbraw/zinc/52/63/95/585526395.db2.gz AKJUAKOBWBMGQY-NSHDSACASA-N 1 0 240.347 2.010 20 30 BEEDRO CCOC(CN1CCC[C@@](C)(C#N)C1)OCC ZINC000767837144 585526838 /nfs/dbraw/zinc/52/68/38/585526838.db2.gz RGOIMKWACOVMHP-ZDUSSCGKSA-N 1 0 240.347 2.011 20 30 BEEDRO Oc1cccc(/C=N/CCc2cscn2)c1O ZINC000767866454 585527055 /nfs/dbraw/zinc/52/70/55/585527055.db2.gz SXQRICZITJBPKN-AWNIVKPZSA-N 1 0 248.307 2.216 20 30 BEEDRO C=CC[N@H+](Cc1cc(C(N)=O)cs1)C(C)C ZINC000768550266 585540403 /nfs/dbraw/zinc/54/04/03/585540403.db2.gz IZMPXEYLPKBJFI-UHFFFAOYSA-N 1 0 238.356 2.243 20 30 BEEDRO C=CC[N@H+](Cc1ccc(CO)o1)C(C)C ZINC000768548078 585540438 /nfs/dbraw/zinc/54/04/38/585540438.db2.gz VYLCARGULAPHAX-UHFFFAOYSA-N 1 0 209.289 2.168 20 30 BEEDRO CCCCCCC[N@H+](CCO)C1CCOCC1 ZINC000768840726 585544567 /nfs/dbraw/zinc/54/45/67/585544567.db2.gz DPAHMFFRKGSFKP-UHFFFAOYSA-N 1 0 243.391 2.430 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC)c(C)c1 ZINC000769106589 585548943 /nfs/dbraw/zinc/54/89/43/585548943.db2.gz RLCFGOGRBIQYEJ-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000769798577 585563876 /nfs/dbraw/zinc/56/38/76/585563876.db2.gz BOVVXQUSQYKCIU-GXTWGEPZSA-N 1 0 236.359 2.021 20 30 BEEDRO Cc1cccc(F)c1N=NC1C[N@@H+](C)C[C@@H]1C ZINC000769840142 585564964 /nfs/dbraw/zinc/56/49/64/585564964.db2.gz IDFSWINOUIETHL-JTQLQIEISA-N 1 0 235.306 2.484 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCOc1ccc(OCC)cc1 ZINC000769962170 585567502 /nfs/dbraw/zinc/56/75/02/585567502.db2.gz ZDNLBQDLGCOJNN-ZDUSSCGKSA-N 1 0 247.338 2.418 20 30 BEEDRO CCCCCCCC(=O)N[C@@H](C)C[NH+](C)C ZINC000805425473 585591965 /nfs/dbraw/zinc/59/19/65/585591965.db2.gz VDXHIQPBQYMOTJ-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO C#CC[NH+]1CCC(Nc2nc(CC)cs2)CC1 ZINC000771301397 585592434 /nfs/dbraw/zinc/59/24/34/585592434.db2.gz UZQHWEXRLYZFKM-UHFFFAOYSA-N 1 0 249.383 2.215 20 30 BEEDRO OC[C@H]([NH2+]CC#Cc1ccccc1Cl)C1CC1 ZINC000771809965 585600799 /nfs/dbraw/zinc/60/07/99/585600799.db2.gz WQLGEQLVJRJRIV-AWEZNQCLSA-N 1 0 249.741 2.052 20 30 BEEDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1C#N ZINC000773084474 585630783 /nfs/dbraw/zinc/63/07/83/585630783.db2.gz SHHUVLDBSSHLMZ-GHMZBOCLSA-N 1 0 248.326 2.080 20 30 BEEDRO C=C(CC)C[NH+]1CCC(n2cccn2)CC1 ZINC000773429337 585636660 /nfs/dbraw/zinc/63/66/60/585636660.db2.gz MCMPSHRUMQEGRA-UHFFFAOYSA-N 1 0 219.332 2.486 20 30 BEEDRO C=C(CC)C[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000773449300 585637074 /nfs/dbraw/zinc/63/70/74/585637074.db2.gz YMLCRHPIQAOZKW-UHFFFAOYSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CC[N@@H+](Cc1cccc(C(=O)OC)n1)C(C)C ZINC000773731792 585642989 /nfs/dbraw/zinc/64/29/89/585642989.db2.gz XARBGFRVEZWVSW-UHFFFAOYSA-N 1 0 248.326 2.265 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@]1(CCC)COC ZINC000773963180 585647480 /nfs/dbraw/zinc/64/74/80/585647480.db2.gz JXIZQTFMBRAMSU-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO Cc1cc(N)cc(C)c1C=[NH+]OC1CCOCC1 ZINC000774456860 585659560 /nfs/dbraw/zinc/65/95/60/585659560.db2.gz HUNMWTZNHICJIT-UHFFFAOYSA-N 1 0 248.326 2.415 20 30 BEEDRO CCC(CC)CNN=C1CCC[N@H+](C)CC1 ZINC000774472704 585660048 /nfs/dbraw/zinc/66/00/48/585660048.db2.gz NVVLULRSQIIURP-UHFFFAOYSA-N 1 0 225.380 2.484 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000774828606 585666964 /nfs/dbraw/zinc/66/69/64/585666964.db2.gz WCXJGHOBWJEBKO-CQSZACIVSA-N 1 0 248.370 2.027 20 30 BEEDRO CC[C@@H]([NH2+]CC#CCOC)c1ccccc1OC ZINC000775065315 585671590 /nfs/dbraw/zinc/67/15/90/585671590.db2.gz CXXBOKYFDRYVNY-CQSZACIVSA-N 1 0 247.338 2.386 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000775178458 585672847 /nfs/dbraw/zinc/67/28/47/585672847.db2.gz KCTBWRQOIUXARS-NSHDSACASA-N 1 0 234.318 2.345 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000775183059 585672952 /nfs/dbraw/zinc/67/29/52/585672952.db2.gz HIOJLUYCCALYTA-LBPRGKRZSA-N 1 0 216.328 2.206 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000775178456 585673022 /nfs/dbraw/zinc/67/30/22/585673022.db2.gz KCTBWRQOIUXARS-LLVKDONJSA-N 1 0 234.318 2.345 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(C)c1)[C@@H]1CCCO1 ZINC000775344826 585676487 /nfs/dbraw/zinc/67/64/87/585676487.db2.gz KJQKPCVMRDQUNQ-CABCVRRESA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1cnccc1C)[C@H]1CCCO1 ZINC000775571242 585680169 /nfs/dbraw/zinc/68/01/69/585680169.db2.gz DCUZLHQONGMJFQ-VHDGCEQUSA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000775571779 585680232 /nfs/dbraw/zinc/68/02/32/585680232.db2.gz LPGXXNTZDZXCMV-CORIIIEPSA-N 1 0 245.322 2.224 20 30 BEEDRO C#C[C@H]([NH2+]CCCCC(F)(F)F)[C@H]1CCCO1 ZINC000775788111 585684860 /nfs/dbraw/zinc/68/48/60/585684860.db2.gz CLIKQIDIUFVGAR-WDEREUQCSA-N 1 0 249.276 2.489 20 30 BEEDRO C#C[C@H]([NH2+]CCCc1ccccc1)[C@@H]1CCCO1 ZINC000775794844 585685150 /nfs/dbraw/zinc/68/51/50/585685150.db2.gz KOXJJJNVOFJIKR-HOTGVXAUSA-N 1 0 243.350 2.390 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000775801742 585685552 /nfs/dbraw/zinc/68/55/52/585685552.db2.gz YUGQHIVQJKEGRT-QWHCGFSZSA-N 1 0 234.343 2.087 20 30 BEEDRO COc1ccc(CN(CCC#N)CC(C)C)nc1 ZINC000775975630 585688574 /nfs/dbraw/zinc/68/85/74/585688574.db2.gz HNAANUMPYJLHNT-UHFFFAOYSA-N 1 0 247.342 2.462 20 30 BEEDRO C#CCCC[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000775992215 585688857 /nfs/dbraw/zinc/68/88/57/585688857.db2.gz BUQSKQKILNVDSR-JSGCOSHPSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CCCC[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000775992216 585688925 /nfs/dbraw/zinc/68/89/25/585688925.db2.gz BUQSKQKILNVDSR-OCCSQVGLSA-N 1 0 237.343 2.111 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NOC1CCCC1 ZINC000776187803 585692044 /nfs/dbraw/zinc/69/20/44/585692044.db2.gz ZEMREWVQXXUHSI-UHFFFAOYSA-N 1 0 233.315 2.441 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC[C@H](C)C1 ZINC000776518301 585699701 /nfs/dbraw/zinc/69/97/01/585699701.db2.gz UDGJFRHBXBGELK-BFHYXJOUSA-N 1 0 249.354 2.063 20 30 BEEDRO CC[C@](C)(CC(=O)OC)[NH2+]CCC(C)(C)C#N ZINC000776592154 585702380 /nfs/dbraw/zinc/70/23/80/585702380.db2.gz UBAGFYKVRDGLEL-CYBMUJFWSA-N 1 0 240.347 2.248 20 30 BEEDRO C1CCC(ON=C2C[NH+]3CCC2CC3)CC1 ZINC000777457119 585712672 /nfs/dbraw/zinc/71/26/72/585712672.db2.gz LNKGMUHOKZSUOB-UHFFFAOYSA-N 1 0 222.332 2.417 20 30 BEEDRO C=CCN(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000778167968 585726734 /nfs/dbraw/zinc/72/67/34/585726734.db2.gz YCARIWDHWPJVEQ-UHFFFAOYSA-N 1 0 247.273 2.494 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2ccc(F)nc2)cc1 ZINC000778158228 585726769 /nfs/dbraw/zinc/72/67/69/585726769.db2.gz JSTVENNNOULKQB-UHFFFAOYSA-N 1 0 241.269 2.382 20 30 BEEDRO C#CCCC[N@@H+](C)CC1(O)CCCCCC1 ZINC000778286911 585730604 /nfs/dbraw/zinc/73/06/04/585730604.db2.gz VWDUTBZJYNNBMI-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO CC[C@@H](C(=O)OCC(C)(C)C#N)[NH+](CC)CC ZINC000778715487 585739599 /nfs/dbraw/zinc/73/95/99/585739599.db2.gz YDLZKRLJGLTBFK-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO C=CC[C@@H]([NH2+][C@H](C)CCO)c1ccncc1 ZINC000779405785 585753693 /nfs/dbraw/zinc/75/36/93/585753693.db2.gz SCAOYHFLSYPBPU-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO Cc1cc(C=NNc2ccncc2)cnc1Cl ZINC000779812215 585766395 /nfs/dbraw/zinc/76/63/95/585766395.db2.gz PFDHAHWWURJSFI-UHFFFAOYSA-N 1 0 246.701 2.306 20 30 BEEDRO C#CCCCCCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000780586581 585782051 /nfs/dbraw/zinc/78/20/51/585782051.db2.gz MWQHWYJRVWIMPR-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1c(C)onc1CC ZINC000780742696 585784107 /nfs/dbraw/zinc/78/41/07/585784107.db2.gz BOXZNPZWICKPMJ-JTQLQIEISA-N 1 0 238.331 2.399 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCc2ccccc2C1 ZINC000782042138 585807539 /nfs/dbraw/zinc/80/75/39/585807539.db2.gz MQPKJQBGZPVVLH-OAHLLOKOSA-N 1 0 237.346 2.360 20 30 BEEDRO CC1(C)CCC[C@@H]1NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000782289977 585814126 /nfs/dbraw/zinc/81/41/26/585814126.db2.gz YMHFBHICDMJQPI-STQMWFEESA-N 1 0 235.375 2.379 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782611831 585822334 /nfs/dbraw/zinc/82/23/34/585822334.db2.gz FJDUMDYRDFEGNF-OLZOCXBDSA-N 1 0 211.349 2.271 20 30 BEEDRO FC(F)(F)[C@@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000783511358 585835853 /nfs/dbraw/zinc/83/58/53/585835853.db2.gz OFXIYXYXECEAGH-SSDOTTSWSA-N 1 0 232.209 2.235 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccccc1O ZINC000783525149 585836162 /nfs/dbraw/zinc/83/61/62/585836162.db2.gz GPIWGFRHJCKIPD-NEPJUHHUSA-N 1 0 235.327 2.227 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1c(F)cccc1F ZINC000784078512 585848706 /nfs/dbraw/zinc/84/87/06/585848706.db2.gz DYLQKMOVYQAEHD-JTQLQIEISA-N 1 0 239.265 2.265 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CCCCCCO)C1 ZINC000784452032 585860218 /nfs/dbraw/zinc/86/02/18/585860218.db2.gz ZHFFABUCOKLVOU-ZDUSSCGKSA-N 1 0 224.348 2.165 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](C[Si](C)(C)C)C1 ZINC000784456207 585860525 /nfs/dbraw/zinc/86/05/25/585860525.db2.gz ZPIRMOCXIIWSHH-NSHDSACASA-N 1 0 210.397 2.489 20 30 BEEDRO C=CC[N@@H+](Cc1cccnc1OC)C(C)C ZINC000785657384 585877430 /nfs/dbraw/zinc/87/74/30/585877430.db2.gz FWQFFLWCBTXBET-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO C=CCCCOC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785728929 585879191 /nfs/dbraw/zinc/87/91/91/585879191.db2.gz JMEDMHFLOFFVQM-VXGBXAGGSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCC[N@@H+](C)CN1C[C@@H](CC(C)C)CC1=O ZINC000786102826 585887265 /nfs/dbraw/zinc/88/72/65/585887265.db2.gz WLQJSXBUSVCULC-ZDUSSCGKSA-N 1 0 238.375 2.346 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@](C)(O)c1ccco1 ZINC000787775840 585915658 /nfs/dbraw/zinc/91/56/58/585915658.db2.gz OBESZLMBPATKPF-YPMHNXCESA-N 1 0 236.315 2.017 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)c2ccco2)cc1 ZINC000787772753 585915837 /nfs/dbraw/zinc/91/58/37/585915837.db2.gz MUERLYZNNWECEH-CQSZACIVSA-N 1 0 241.290 2.084 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@]2(C)CO)cc1 ZINC000787781097 585915924 /nfs/dbraw/zinc/91/59/24/585915924.db2.gz PPJYUCHSDHMXBS-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NNC2CCCC2)C1 ZINC000788427318 585922834 /nfs/dbraw/zinc/92/28/34/585922834.db2.gz JEZDPUZYHZPWAM-CYBMUJFWSA-N 1 0 223.364 2.379 20 30 BEEDRO CC[C@@H](C)NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788441541 585923739 /nfs/dbraw/zinc/92/37/39/585923739.db2.gz SGFHLJMRDMGUNO-PWSUYJOCSA-N 1 0 211.353 2.235 20 30 BEEDRO CC1(C)CCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000789033970 585933663 /nfs/dbraw/zinc/93/36/63/585933663.db2.gz LVOMXTZXKUDHBM-AOOOYVTPSA-N 1 0 234.347 2.022 20 30 BEEDRO C#CCC[N@H+]1CCN(c2ccccc2F)C[C@H]1C ZINC000789498027 585943625 /nfs/dbraw/zinc/94/36/25/585943625.db2.gz WFSKJOYYGXVRPX-CYBMUJFWSA-N 1 0 246.329 2.360 20 30 BEEDRO C#CCCCOC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000789800403 585950174 /nfs/dbraw/zinc/95/01/74/585950174.db2.gz GAFUJIJQQCCOGL-CQSZACIVSA-N 1 0 249.354 2.350 20 30 BEEDRO C=C[C@H](CC)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805909290 585956516 /nfs/dbraw/zinc/95/65/16/585956516.db2.gz WKUVCMQLORBLDY-CYBMUJFWSA-N 1 0 237.343 2.369 20 30 BEEDRO CCO[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000790155805 585958711 /nfs/dbraw/zinc/95/87/11/585958711.db2.gz SAMZLEUJGBMHTE-UHFFFAOYSA-N 1 0 221.304 2.297 20 30 BEEDRO CC[C@@H](C)NN=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000790187510 585960414 /nfs/dbraw/zinc/96/04/14/585960414.db2.gz BZSURMXMKOTCAH-GHMZBOCLSA-N 1 0 211.353 2.091 20 30 BEEDRO CC[C@@H](C)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000790191240 585960903 /nfs/dbraw/zinc/96/09/03/585960903.db2.gz VHVHOQXQBFMXHC-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO Cc1cccnc1N=NC1CC[N@H+](C)[C@H](C)C1 ZINC000790192889 585960978 /nfs/dbraw/zinc/96/09/78/585960978.db2.gz JEJUMHBARGZHBL-LLVKDONJSA-N 1 0 232.331 2.272 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000790535385 585966169 /nfs/dbraw/zinc/96/61/69/585966169.db2.gz KKZTZCZBMMBPKW-SNVBAGLBSA-N 1 0 235.335 2.015 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)CC1CCCCC1 ZINC000791317372 585977130 /nfs/dbraw/zinc/97/71/30/585977130.db2.gz NIWMBWBMNCFJAA-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC1CCC(C)CC1 ZINC000791335551 585978063 /nfs/dbraw/zinc/97/80/63/585978063.db2.gz HEZZZHBCTMWCKD-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H](C)CC ZINC000791799328 585988164 /nfs/dbraw/zinc/98/81/64/585988164.db2.gz ALSXEUZABRVMGY-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCCC[N@@H+](CCC)[C@H](CC)C(=O)OCC ZINC000792376259 586000350 /nfs/dbraw/zinc/00/03/50/586000350.db2.gz LMLDBLWYUMRFQP-CYBMUJFWSA-N 1 0 239.359 2.454 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](O)c1ccccc1C ZINC000792405653 586000462 /nfs/dbraw/zinc/00/04/62/586000462.db2.gz AGCMAPAGBLXPIS-OAHLLOKOSA-N 1 0 249.354 2.163 20 30 BEEDRO CC1(CNN=C2CC[N@@H+]3CCC[C@H]23)CCCC1 ZINC000793082345 586009782 /nfs/dbraw/zinc/00/97/82/586009782.db2.gz WMLPKYKSBGVRIO-CYBMUJFWSA-N 1 0 235.375 2.380 20 30 BEEDRO C[C@@H](NN=C1C[C@H](C)N(C)C1)C(C)(C)C ZINC000793110896 586010233 /nfs/dbraw/zinc/01/02/33/586010233.db2.gz CKANNIXKZBIPBD-VHSXEESVSA-N 1 0 211.353 2.091 20 30 BEEDRO C[C@H](NN=C1CCC[N@H+](C)CC1)C(C)(C)C ZINC000793112857 586010370 /nfs/dbraw/zinc/01/03/70/586010370.db2.gz XVMOBCAELKHLIG-NSHDSACASA-N 1 0 225.380 2.482 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000793154258 586011874 /nfs/dbraw/zinc/01/18/74/586011874.db2.gz WGKYHCSLBJXVFA-JSGCOSHPSA-N 1 0 245.326 2.000 20 30 BEEDRO C=C(C)CCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000793159966 586012224 /nfs/dbraw/zinc/01/22/24/586012224.db2.gz FHNFRBYJDAADIY-UHFFFAOYSA-N 1 0 230.267 2.457 20 30 BEEDRO CC(C)[C@H]1CCCC(=NNC2=[NH+][C@H](C)CN2)C1 ZINC000794531206 586042288 /nfs/dbraw/zinc/04/22/88/586042288.db2.gz SDRZYEAFHHEMTD-MNOVXSKESA-N 1 0 236.363 2.126 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000794578984 586044982 /nfs/dbraw/zinc/04/49/82/586044982.db2.gz OFUDGHCIMCJTKW-ZDUSSCGKSA-N 1 0 235.302 2.203 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000794578963 586045117 /nfs/dbraw/zinc/04/51/17/586045117.db2.gz OFUDGHCIMCJTKW-CYBMUJFWSA-N 1 0 235.302 2.203 20 30 BEEDRO C[N@@H+]1CCCC(N=Nc2ncccc2F)CC1 ZINC000794990753 586062334 /nfs/dbraw/zinc/06/23/34/586062334.db2.gz PIIJRGHXJYAPLG-UHFFFAOYSA-N 1 0 236.294 2.104 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ncccc1F ZINC000794993276 586062588 /nfs/dbraw/zinc/06/25/88/586062588.db2.gz KSLOUAZSLUEVQV-SECBINFHSA-N 1 0 248.305 2.103 20 30 BEEDRO C=CCC(C)(C)C(=O)OCC[NH+](CC)CC ZINC000796454286 586103640 /nfs/dbraw/zinc/10/36/40/586103640.db2.gz CLGUVWVPJAYECO-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CC[N@H+](Cc1ccnc(C)n1)C(C)C ZINC000796457828 586103989 /nfs/dbraw/zinc/10/39/89/586103989.db2.gz QOJRDTIWGNNNGI-UHFFFAOYSA-N 1 0 205.305 2.181 20 30 BEEDRO CCCCCCC[N@H+](C)[C@@H](C)C(=O)OC ZINC000796614401 586108701 /nfs/dbraw/zinc/10/87/01/586108701.db2.gz WRBHYUATMBODSG-NSHDSACASA-N 1 0 215.337 2.450 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)CCCCCC)C1=O ZINC000799177875 586165787 /nfs/dbraw/zinc/16/57/87/586165787.db2.gz WRWCOYCEIDNVEO-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197348 586167352 /nfs/dbraw/zinc/16/73/52/586167352.db2.gz WTVPARQFLVPVDG-KBPBESRZSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)c1ccc(F)cn1 ZINC000799292856 586168656 /nfs/dbraw/zinc/16/86/56/586168656.db2.gz CGXRRTNXXYRNME-ZDUSSCGKSA-N 1 0 238.306 2.152 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](OCC)C2CC2)C1 ZINC000859335947 589032825 /nfs/dbraw/zinc/03/28/25/589032825.db2.gz IWLMDHJHFIGRLB-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO CCCCCCC[N@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000800480529 586221915 /nfs/dbraw/zinc/22/19/15/586221915.db2.gz VKVMKNUPENBFDU-LBPRGKRZSA-N 1 0 226.364 2.119 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000859445929 589037409 /nfs/dbraw/zinc/03/74/09/589037409.db2.gz RQEKJUCTCARGOQ-QWHCGFSZSA-N 1 0 239.359 2.426 20 30 BEEDRO C[C@H](C#N)OCC[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000801913903 586276300 /nfs/dbraw/zinc/27/63/00/586276300.db2.gz BYUHFYZMMKHYBE-MNOVXSKESA-N 1 0 222.332 2.178 20 30 BEEDRO CC(C)[N@H+](CCO[C@@H](C)C#N)Cc1ccccn1 ZINC000801913640 586276850 /nfs/dbraw/zinc/27/68/50/586276850.db2.gz ZLLWWGUDGHIJGM-ZDUSSCGKSA-N 1 0 247.342 2.221 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@H]1CC=CCC1 ZINC000801937876 586277350 /nfs/dbraw/zinc/27/73/50/586277350.db2.gz AWHXVLASCBXZCS-STQMWFEESA-N 1 0 222.332 2.203 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000801930026 586278455 /nfs/dbraw/zinc/27/84/55/586278455.db2.gz BZUXLPQXZQKCAX-WCQYABFASA-N 1 0 233.315 2.080 20 30 BEEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCO[C@H](C)C#N ZINC000801935958 586279357 /nfs/dbraw/zinc/27/93/57/586279357.db2.gz NQGKBHCWHPPFTP-OCCSQVGLSA-N 1 0 247.342 2.393 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](CC1CC1)CC1CCC1 ZINC000801952685 586283272 /nfs/dbraw/zinc/28/32/72/586283272.db2.gz COMFYLVSNHWDED-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1cc(OCCO[C@H](C)C#N)cc(C)[nH+]1 ZINC000802731059 586311540 /nfs/dbraw/zinc/31/15/40/586311540.db2.gz FCCDHZSYEDFKCV-LLVKDONJSA-N 1 0 220.272 2.006 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@@H]3CCC[C@@H]3C2=O)CC1 ZINC000839992453 586334877 /nfs/dbraw/zinc/33/48/77/586334877.db2.gz JHVLLOVSMIDSQS-KBPBESRZSA-N 1 0 248.370 2.100 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@@H]3CCC[C@H]3C2=O)CC1 ZINC000839992457 586335241 /nfs/dbraw/zinc/33/52/41/586335241.db2.gz JHVLLOVSMIDSQS-UONOGXRCSA-N 1 0 248.370 2.100 20 30 BEEDRO C#CCOCC[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000859567469 589046082 /nfs/dbraw/zinc/04/60/82/589046082.db2.gz GXENVPMEKDAHNB-OAHLLOKOSA-N 1 0 244.338 2.162 20 30 BEEDRO C=C(C)CCOC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000803487332 586361277 /nfs/dbraw/zinc/36/12/77/586361277.db2.gz CXPDMOIOLDZWLQ-VXGBXAGGSA-N 1 0 225.332 2.369 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000859585379 589047461 /nfs/dbraw/zinc/04/74/61/589047461.db2.gz OQOHOQCERWBYPK-OAHLLOKOSA-N 1 0 244.338 2.274 20 30 BEEDRO C[C@@H]1CC(N=NCC2CCCC2)C[N@@H+]1C1CC1 ZINC000808007129 586458827 /nfs/dbraw/zinc/45/88/27/586458827.db2.gz QZALNJGBOZYANG-LLVKDONJSA-N 1 0 235.375 2.379 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000809235295 586502079 /nfs/dbraw/zinc/50/20/79/586502079.db2.gz HKOUKSLSIDVJQG-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000809578612 586508053 /nfs/dbraw/zinc/50/80/53/586508053.db2.gz NYEWMHFENSLBMV-MGPQQGTHSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000809578598 586508167 /nfs/dbraw/zinc/50/81/67/586508167.db2.gz NYEWMHFENSLBMV-BFHYXJOUSA-N 1 0 238.375 2.455 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000809623048 586509319 /nfs/dbraw/zinc/50/93/19/586509319.db2.gz PLJIHOVWXTTWAA-HZPDHXFCSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1 ZINC000809621212 586509425 /nfs/dbraw/zinc/50/94/25/586509425.db2.gz XLPILNXGNITEFX-OAHLLOKOSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1 ZINC000809619888 586509557 /nfs/dbraw/zinc/50/95/57/586509557.db2.gz HXEHJIZLELSFQE-HNNXBMFYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccn(C)c2)cc1 ZINC000809625454 586509684 /nfs/dbraw/zinc/50/96/84/586509684.db2.gz GQSGQCFOCRUBPG-UHFFFAOYSA-N 1 0 224.307 2.296 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)cc1 ZINC000809626606 586509695 /nfs/dbraw/zinc/50/96/95/586509695.db2.gz JDDKGYIBIYTNPP-IYBDPMFKSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000809644893 586510591 /nfs/dbraw/zinc/51/05/91/586510591.db2.gz YLAMVTRJBUAZKA-KGLIPLIRSA-N 1 0 242.366 2.192 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(CO)CCCC2)cc1 ZINC000809644797 586510771 /nfs/dbraw/zinc/51/07/71/586510771.db2.gz WXMPRLYMOHGASF-UHFFFAOYSA-N 1 0 243.350 2.310 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000809644891 586510799 /nfs/dbraw/zinc/51/07/99/586510799.db2.gz YLAMVTRJBUAZKA-KBPBESRZSA-N 1 0 242.366 2.192 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000809683060 586511640 /nfs/dbraw/zinc/51/16/40/586511640.db2.gz NMUKVXMCKSVZPG-SNVBAGLBSA-N 1 0 228.270 2.485 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000809686036 586512794 /nfs/dbraw/zinc/51/27/94/586512794.db2.gz IYBQDOADDBZDQK-LBPRGKRZSA-N 1 0 234.318 2.393 20 30 BEEDRO C#CCCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000810094898 586533534 /nfs/dbraw/zinc/53/35/34/586533534.db2.gz YTYQZRNSZVAXSJ-KBPBESRZSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CCCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000810094901 586533976 /nfs/dbraw/zinc/53/39/76/586533976.db2.gz YTYQZRNSZVAXSJ-UONOGXRCSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccc(OC)c(O)c1 ZINC000810220536 586537233 /nfs/dbraw/zinc/53/72/33/586537233.db2.gz ZJDQHTVVORZNMW-NSHDSACASA-N 1 0 233.311 2.465 20 30 BEEDRO C#CCCCCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839754 586547919 /nfs/dbraw/zinc/54/79/19/586547919.db2.gz XQTJAYKIYLSHQZ-ZIAGYGMSSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CCSCC[NH2+]CC1Cc2ccccc2C1 ZINC000811481257 586559594 /nfs/dbraw/zinc/55/95/94/586559594.db2.gz SXKQYJXEJMQTFD-UHFFFAOYSA-N 1 0 245.391 2.357 20 30 BEEDRO C#CC[N@@H+](CC#CC)CC1Cc2ccccc2C1 ZINC000811463871 586559619 /nfs/dbraw/zinc/55/96/19/586559619.db2.gz JRAQBRJCPFIEJS-UHFFFAOYSA-N 1 0 237.346 2.360 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)CN(C)C(C)C)cc1 ZINC000811512591 586560168 /nfs/dbraw/zinc/56/01/68/586560168.db2.gz PKMXPUVAAHEECG-AWEZNQCLSA-N 1 0 244.382 2.486 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1 ZINC000811515835 586560428 /nfs/dbraw/zinc/56/04/28/586560428.db2.gz JDHVLTQCKWWRMH-OAHLLOKOSA-N 1 0 231.339 2.165 20 30 BEEDRO CON=C1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811638715 586562301 /nfs/dbraw/zinc/56/23/01/586562301.db2.gz XHKZBBGAPDMHEU-LLVKDONJSA-N 1 0 218.300 2.283 20 30 BEEDRO C[N@@H+]1CCCC(=NOC/C=C\Cl)CC1 ZINC000811668395 586565026 /nfs/dbraw/zinc/56/50/26/586565026.db2.gz NHWFZTFJHMHXDU-SMSDMOCXSA-N 1 0 216.712 2.227 20 30 BEEDRO Cc1nc(NCC[N@H+]2CCC[C@H]2C)ccc1C#N ZINC000813595387 586604154 /nfs/dbraw/zinc/60/41/54/586604154.db2.gz WDLACBFZPNDZIQ-LLVKDONJSA-N 1 0 244.342 2.158 20 30 BEEDRO CC(C)(C)[C@H]1CC(=[NH+]n2cnnc2)CS1 ZINC000814682436 586628858 /nfs/dbraw/zinc/62/88/58/586628858.db2.gz KCLLZEVEGZOPDG-SECBINFHSA-N 1 0 224.333 2.034 20 30 BEEDRO CON=C(C)c1cccc(C[NH+](C)C)c1 ZINC000814795857 586634418 /nfs/dbraw/zinc/63/44/18/586634418.db2.gz MLKRUUUMTRSQBS-UHFFFAOYSA-N 1 0 206.289 2.119 20 30 BEEDRO C[C@@H]1CCC(=NNCC[NH+]2CCCCC2)C1 ZINC000814808826 586636397 /nfs/dbraw/zinc/63/63/97/586636397.db2.gz TUIYUYLIUAGBLV-GFCCVEGCSA-N 1 0 223.364 2.238 20 30 BEEDRO CCC(=[NH+]N[C@@H]1CCSC1)c1cccc(N)c1 ZINC000814933271 586653991 /nfs/dbraw/zinc/65/39/91/586653991.db2.gz JNPSJIHGQVWCDU-GFCCVEGCSA-N 1 0 249.383 2.478 20 30 BEEDRO N#CCCOCC[NH2+]C1(c2ccccc2F)CC1 ZINC000815083530 586666112 /nfs/dbraw/zinc/66/61/12/586666112.db2.gz QMBKHPYRUWBNNT-UHFFFAOYSA-N 1 0 248.301 2.335 20 30 BEEDRO C=CCC(F)(F)C(=O)NCC[N@@H+](CC)C(C)C ZINC000815599203 586688714 /nfs/dbraw/zinc/68/87/14/586688714.db2.gz NFXVGFMIVJJSLB-UHFFFAOYSA-N 1 0 248.317 2.044 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC=C(C)CC1)[C@@H]1CCCO1 ZINC000816573428 586741586 /nfs/dbraw/zinc/74/15/86/586741586.db2.gz YCVYZHTWPHMAST-IHRRRGAJSA-N 1 0 219.328 2.256 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2CC)cc1 ZINC000816660359 586753494 /nfs/dbraw/zinc/75/34/94/586753494.db2.gz AMJLESALCBVOGL-INIZCTEOSA-N 1 0 242.366 2.194 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000817283199 586791883 /nfs/dbraw/zinc/79/18/83/586791883.db2.gz XVXIEZGHRDHOIR-ZDUSSCGKSA-N 1 0 226.364 2.167 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817298645 586794266 /nfs/dbraw/zinc/79/42/66/586794266.db2.gz NXBVWFRGYRQZNO-LLVKDONJSA-N 1 0 217.740 2.223 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCC2(O)CCC2)cc1 ZINC000817414657 586803068 /nfs/dbraw/zinc/80/30/68/586803068.db2.gz NMIHSCRTBCBLLW-UHFFFAOYSA-N 1 0 243.350 2.453 20 30 BEEDRO C=C(Cl)CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000817903850 586836935 /nfs/dbraw/zinc/83/69/35/586836935.db2.gz MGZTYGTUPZWBTB-SECBINFHSA-N 1 0 239.750 2.252 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1nn(CC)nc1C ZINC000818343966 586887558 /nfs/dbraw/zinc/88/75/58/586887558.db2.gz GIBQYMUABUWLGI-GFCCVEGCSA-N 1 0 236.363 2.441 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+]C[C@H](C#N)CCC#N ZINC000818954172 586917442 /nfs/dbraw/zinc/91/74/42/586917442.db2.gz SVVJOGBARYXQCA-NEPJUHHUSA-N 1 0 231.299 2.244 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccncc1 ZINC000819074578 586929053 /nfs/dbraw/zinc/92/90/53/586929053.db2.gz RLQPJFPIVPULAT-KGLIPLIRSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC1(C)C ZINC000819173205 586934917 /nfs/dbraw/zinc/93/49/17/586934917.db2.gz AIVVTQLOOYVPGX-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H](O)c1ccccc1C ZINC000819189036 586937254 /nfs/dbraw/zinc/93/72/54/586937254.db2.gz PCROQFVBAAYKNZ-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO N#CCC1(C[NH2+]C[C@@H](O)c2cccc(F)c2)CC1 ZINC000819280516 586947594 /nfs/dbraw/zinc/94/75/94/586947594.db2.gz HOKAHAPWLRKOIT-CYBMUJFWSA-N 1 0 248.301 2.143 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+]CC2(CC#N)CC2)cc1 ZINC000819280344 586947743 /nfs/dbraw/zinc/94/77/43/586947743.db2.gz CMJMKTJBINXOPI-AWEZNQCLSA-N 1 0 244.338 2.312 20 30 BEEDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CC2(C#N)CC2)c1 ZINC000819281001 586947831 /nfs/dbraw/zinc/94/78/31/586947831.db2.gz QRYHJSIVTCOMKR-AWEZNQCLSA-N 1 0 244.338 2.230 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccns1 ZINC000860055121 589076679 /nfs/dbraw/zinc/07/66/79/589076679.db2.gz SAMSBAOCYDMSDQ-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(F)c2)C1 ZINC000819384409 586959802 /nfs/dbraw/zinc/95/98/02/586959802.db2.gz YRYNRWHVTVPLDE-GDLCADMTSA-N 1 0 248.301 2.141 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823899631 587245487 /nfs/dbraw/zinc/24/54/87/587245487.db2.gz ZVXRFLAGXZPNKY-SNVBAGLBSA-N 1 0 243.314 2.093 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC1(C)OCCO1 ZINC000824031843 587249454 /nfs/dbraw/zinc/24/94/54/587249454.db2.gz BZWBKOXWVZFCET-LBPRGKRZSA-N 1 0 227.348 2.474 20 30 BEEDRO N#CCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000824301665 587265686 /nfs/dbraw/zinc/26/56/86/587265686.db2.gz BTMAHJFILREFCB-AWEZNQCLSA-N 1 0 214.312 2.437 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824690356 587282851 /nfs/dbraw/zinc/28/28/51/587282851.db2.gz AYRYCSFARYDTKT-FQUUOJAGSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000824750902 587285621 /nfs/dbraw/zinc/28/56/21/587285621.db2.gz POYBUQLMVDHEBY-SECBINFHSA-N 1 0 226.345 2.252 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000824789695 587287756 /nfs/dbraw/zinc/28/77/56/587287756.db2.gz FJFKPZFKZHVQLT-VIFPVBQESA-N 1 0 240.372 2.498 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000824841135 587287789 /nfs/dbraw/zinc/28/77/89/587287789.db2.gz GHIJUNLVIOROBM-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000824952784 587294466 /nfs/dbraw/zinc/29/44/66/587294466.db2.gz DXQPQIDSPMVHBK-XQQFMLRXSA-N 1 0 223.316 2.002 20 30 BEEDRO C=CCC1(C[NH2+]Cc2cnn(C)n2)CCCC1 ZINC000825079424 587303160 /nfs/dbraw/zinc/30/31/60/587303160.db2.gz SYQOCWQUAOCMJC-UHFFFAOYSA-N 1 0 234.347 2.041 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)CCC=C)cc1 ZINC000825168588 587307256 /nfs/dbraw/zinc/30/72/56/587307256.db2.gz KHHWEZDPUIPJDK-OAHLLOKOSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[NH+]1CCCC1 ZINC000825226144 587310023 /nfs/dbraw/zinc/31/00/23/587310023.db2.gz ORDKSHMHVCTFAZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCSC2)c1 ZINC000825225899 587310297 /nfs/dbraw/zinc/31/02/97/587310297.db2.gz BEGYMRYEVBFZRL-CYBMUJFWSA-N 1 0 217.337 2.263 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(COC)cs1 ZINC000825710215 587333597 /nfs/dbraw/zinc/33/35/97/587333597.db2.gz IYCXIORUQVYSDP-JTQLQIEISA-N 1 0 223.341 2.348 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC000825878242 587343502 /nfs/dbraw/zinc/34/35/02/587343502.db2.gz GQCXARBRDHNYQH-VXGBXAGGSA-N 1 0 239.359 2.356 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)CSCCF ZINC000825878178 587343597 /nfs/dbraw/zinc/34/35/97/587343597.db2.gz DONICKFQTJAFGB-ZJUUUORDSA-N 1 0 203.326 2.079 20 30 BEEDRO C#CC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000826710818 587359689 /nfs/dbraw/zinc/35/96/89/587359689.db2.gz SBHJYECDGGZMQL-UHFFFAOYSA-N 1 0 200.285 2.240 20 30 BEEDRO CN(C)c1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000826991264 587367464 /nfs/dbraw/zinc/36/74/64/587367464.db2.gz XTMQIYWSOGGRCG-UHFFFAOYSA-N 1 0 229.327 2.098 20 30 BEEDRO COCC[N@H+](CCF)CC(C)(C)CCC#N ZINC000827054404 587369095 /nfs/dbraw/zinc/36/90/95/587369095.db2.gz SIWAYLPENHUCSI-UHFFFAOYSA-N 1 0 230.327 2.234 20 30 BEEDRO C=CCC1([NH2+]Cc2cc(C)on2)CCOCC1 ZINC000827146645 587370902 /nfs/dbraw/zinc/37/09/02/587370902.db2.gz IUQGWACHPUJRDW-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1 ZINC000827151644 587371177 /nfs/dbraw/zinc/37/11/77/587371177.db2.gz HKGMTHOSCSOCBG-VIKVFOODSA-N 1 0 243.350 2.117 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)C1CCOCC1 ZINC000827559496 587387872 /nfs/dbraw/zinc/38/78/72/587387872.db2.gz GHEGFLVRADYSAB-QLFBSQMISA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)C1CCOCC1 ZINC000827560849 587388269 /nfs/dbraw/zinc/38/82/69/587388269.db2.gz VISNBXRLDUOZNS-QLFBSQMISA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@H]1C(C)C)C1CCOCC1 ZINC000827560848 587388404 /nfs/dbraw/zinc/38/84/04/587388404.db2.gz VISNBXRLDUOZNS-KKUMJFAQSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1CC)C1CCOCC1 ZINC000827561058 587388476 /nfs/dbraw/zinc/38/84/76/587388476.db2.gz XOBRVWUTDJEGOO-FPMFFAJLSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+]CC1(C)CCC1)C1CCOCC1 ZINC000827560633 587388515 /nfs/dbraw/zinc/38/85/15/587388515.db2.gz SUMDJSGBFFWBTN-ZDUSSCGKSA-N 1 0 221.344 2.195 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCOCC1 ZINC000827565134 587388542 /nfs/dbraw/zinc/38/85/42/587388542.db2.gz JJCQRGDJUBFLFE-SNPRPXQTSA-N 1 0 246.354 2.087 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C(C)C)C1CCOCC1 ZINC000827560847 587388679 /nfs/dbraw/zinc/38/86/79/587388679.db2.gz VISNBXRLDUOZNS-ILXRZTDVSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(CC)o1)C1CCOCC1 ZINC000827566505 587388722 /nfs/dbraw/zinc/38/87/22/587388722.db2.gz WDWMTSWNSBTZIH-HNNXBMFYSA-N 1 0 247.338 2.360 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)C)C1CCOCC1 ZINC000827566041 587388989 /nfs/dbraw/zinc/38/89/89/587388989.db2.gz RFOLXSXODROMGF-JSGCOSHPSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)CC)C1CCOCC1 ZINC000827566348 587389099 /nfs/dbraw/zinc/38/90/99/587389099.db2.gz VFFOUOIFTDKZJP-SCRDCRAPSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1occc1C ZINC000827823580 587404483 /nfs/dbraw/zinc/40/44/83/587404483.db2.gz QKVAHMLRLWLLQH-UHFFFAOYSA-N 1 0 221.300 2.060 20 30 BEEDRO C#CC[N@H+](C)CCc1c(F)cccc1F ZINC000828414871 587441280 /nfs/dbraw/zinc/44/12/80/587441280.db2.gz HVTXJCFFVKZMFX-UHFFFAOYSA-N 1 0 209.239 2.072 20 30 BEEDRO C=CCCCC[N@H+](CCS(C)(=O)=O)C(C)C ZINC000828480740 587445017 /nfs/dbraw/zinc/44/50/17/587445017.db2.gz XAIHWCAYRRBTQC-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO C=CCCCC[N@@H+](C)CC(C)(C)S(C)(=O)=O ZINC000828564810 587450716 /nfs/dbraw/zinc/45/07/16/587450716.db2.gz WGAKWMSQEPIPKM-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000828904000 587470474 /nfs/dbraw/zinc/47/04/74/587470474.db2.gz ALOPXCISNSHOEF-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C[N@H+](CCCC#N)C[C@]1(O)CCc2ccccc21 ZINC000829317890 587492198 /nfs/dbraw/zinc/49/21/98/587492198.db2.gz ANLNQFAXUPBVOI-OAHLLOKOSA-N 1 0 244.338 2.056 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829365599 587494383 /nfs/dbraw/zinc/49/43/83/587494383.db2.gz JAZJSNQGPBSRCQ-INIZCTEOSA-N 1 0 243.350 2.166 20 30 BEEDRO C#CC[NH2+]C1(c2cccc(F)c2)CCC1 ZINC000829725703 587512355 /nfs/dbraw/zinc/51/23/55/587512355.db2.gz NUHNEVHAMNUVOH-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000829768491 587514629 /nfs/dbraw/zinc/51/46/29/587514629.db2.gz DUVNYPKGLBJMKI-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000829779406 587515797 /nfs/dbraw/zinc/51/57/97/587515797.db2.gz TZMNURZCLZBWTP-CYBMUJFWSA-N 1 0 214.312 2.317 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC000829779313 587515841 /nfs/dbraw/zinc/51/58/41/587515841.db2.gz QJBZJSBGEHCOQG-PWSUYJOCSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000829783779 587515859 /nfs/dbraw/zinc/51/58/59/587515859.db2.gz CAYSVCKBTOPKFT-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](CC)C(=O)OCC)C1 ZINC000829783706 587515902 /nfs/dbraw/zinc/51/59/02/587515902.db2.gz AXYLJSNKKDLJFQ-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCC(=O)OCC)C1 ZINC000829779444 587516025 /nfs/dbraw/zinc/51/60/25/587516025.db2.gz UTCTUWBZNOYVFH-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCN2CCCCC2)C1 ZINC000829784963 587516151 /nfs/dbraw/zinc/51/61/51/587516151.db2.gz OIVIGAWYFCLZBK-HNNXBMFYSA-N 1 0 234.387 2.208 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000829785149 587516462 /nfs/dbraw/zinc/51/64/62/587516462.db2.gz RGXNKEKEYKHSQW-AWEZNQCLSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC000829805209 587517733 /nfs/dbraw/zinc/51/77/33/587517733.db2.gz RCVQXLRGEVMSID-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC000829805210 587517950 /nfs/dbraw/zinc/51/79/50/587517950.db2.gz RCVQXLRGEVMSID-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000829815470 587519306 /nfs/dbraw/zinc/51/93/06/587519306.db2.gz MKFNQKWYIIYDCX-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000830038304 587532718 /nfs/dbraw/zinc/53/27/18/587532718.db2.gz AUCNDAJCNAXKLR-QWRGUYRKSA-N 1 0 244.766 2.153 20 30 BEEDRO C#CC1CC[NH+](CCc2cscn2)CC1 ZINC000830345779 587546923 /nfs/dbraw/zinc/54/69/23/587546923.db2.gz SIOXRFXJPKWUDI-UHFFFAOYSA-N 1 0 220.341 2.031 20 30 BEEDRO N#CCOc1ccc(CN2CC[C@@H](F)C2)cc1 ZINC000830467991 587552552 /nfs/dbraw/zinc/55/25/52/587552552.db2.gz ZHJHCDYPSXFSBS-GFCCVEGCSA-N 1 0 234.274 2.133 20 30 BEEDRO C#CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000830489919 587554630 /nfs/dbraw/zinc/55/46/30/587554630.db2.gz NPCXQDWUOHGUFU-OAHLLOKOSA-N 1 0 241.334 2.279 20 30 BEEDRO C=CC[C@H](CC)NC(=O)NCCCCCC[NH3+] ZINC000831161543 587588649 /nfs/dbraw/zinc/58/86/49/587588649.db2.gz ZRXPSDUZWOJWCX-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000831527564 587616767 /nfs/dbraw/zinc/61/67/67/587616767.db2.gz GQYQGVBRCVRVGL-PSASIEDQSA-N 1 0 203.713 2.096 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[Si](C)(C)C ZINC000831830283 587633523 /nfs/dbraw/zinc/63/35/23/587633523.db2.gz TVWRQYFXZUSCEX-MNOVXSKESA-N 1 0 213.397 2.187 20 30 BEEDRO C=C(Cl)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000832187221 587649015 /nfs/dbraw/zinc/64/90/15/587649015.db2.gz JMRZXGALKMIHMG-LLVKDONJSA-N 1 0 216.756 2.155 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000832209596 587650480 /nfs/dbraw/zinc/65/04/80/587650480.db2.gz LRWONRZSSDMHNL-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000832209593 587650541 /nfs/dbraw/zinc/65/05/41/587650541.db2.gz LRWONRZSSDMHNL-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000832721141 587677781 /nfs/dbraw/zinc/67/77/81/587677781.db2.gz AMTBTORFRLUXCW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000832718228 587678924 /nfs/dbraw/zinc/67/89/24/587678924.db2.gz CTEPGOVAGKUWQP-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(Cl)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000832778634 587688912 /nfs/dbraw/zinc/68/89/12/587688912.db2.gz MXOXEMGCEHMPJW-NSHDSACASA-N 1 0 216.756 2.153 20 30 BEEDRO C=CCCCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000832828470 587692642 /nfs/dbraw/zinc/69/26/42/587692642.db2.gz CIQQMNUTPTWSIV-UHFFFAOYSA-N 1 0 224.348 2.071 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[C@H]1CC ZINC000834349683 587752728 /nfs/dbraw/zinc/75/27/28/587752728.db2.gz IDOBHOHSTCDWNN-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)c1ccncc1 ZINC000834669029 587763483 /nfs/dbraw/zinc/76/34/83/587763483.db2.gz QODGUSYLVAHWFL-CYBMUJFWSA-N 1 0 234.368 2.489 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(C)nn1C ZINC000834890071 587769574 /nfs/dbraw/zinc/76/95/74/587769574.db2.gz CNRUHFZTUMEDGO-SCRDCRAPSA-N 1 0 249.358 2.113 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000834903522 587769986 /nfs/dbraw/zinc/76/99/86/587769986.db2.gz QCAJWGMDMLOMSV-NWDGAFQWSA-N 1 0 217.312 2.181 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@H]1CCCC[C@@H]1C ZINC000834912282 587770689 /nfs/dbraw/zinc/77/06/89/587770689.db2.gz NHUQEWWSNIDMLJ-ONGXEEELSA-N 1 0 206.293 2.328 20 30 BEEDRO Cc1ccc(NNC=C2CC2(F)F)[nH+]c1 ZINC000834954827 587772350 /nfs/dbraw/zinc/77/23/50/587772350.db2.gz VVISUIITIMYEGT-MRVPVSSYSA-N 1 0 211.215 2.443 20 30 BEEDRO COCCO[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000834963746 587773034 /nfs/dbraw/zinc/77/30/34/587773034.db2.gz SFTVXWIGXKHMMA-GTTIHGKRSA-N 1 0 248.326 2.415 20 30 BEEDRO CC[C@@H](C)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834972132 587774498 /nfs/dbraw/zinc/77/44/98/587774498.db2.gz DQCMKVMZKKDGGB-SECBINFHSA-N 1 0 217.316 2.307 20 30 BEEDRO Fc1ccccc1CNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000835011472 587777763 /nfs/dbraw/zinc/77/77/63/587777763.db2.gz MUQBJBKORAXQNV-AWEZNQCLSA-N 1 0 247.317 2.139 20 30 BEEDRO C=CCO[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000835016575 587778434 /nfs/dbraw/zinc/77/84/34/587778434.db2.gz XENJICXNTUZDNY-UHFFFAOYSA-N 1 0 222.263 2.428 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000835083834 587781507 /nfs/dbraw/zinc/78/15/07/587781507.db2.gz FRCDZQJXSUAFNP-LPWJVIDDSA-N 1 0 211.349 2.338 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1 ZINC000835085946 587781702 /nfs/dbraw/zinc/78/17/02/587781702.db2.gz CXYDOUPYXCPEBL-DOMZBBRYSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CC(C)(C)C(=O)OCCCCC[NH+](C)C ZINC000835186812 587787625 /nfs/dbraw/zinc/78/76/25/587787625.db2.gz JGGIRTANDZWIND-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@]1(C)CC1(Cl)Cl ZINC000836232235 587829285 /nfs/dbraw/zinc/82/92/85/587829285.db2.gz QDRIRCZAMLSLLW-YUMQZZPRSA-N 1 0 221.131 2.462 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CC(C)(C)C ZINC000837229502 587860116 /nfs/dbraw/zinc/86/01/16/587860116.db2.gz AJIZGGKYIKFAKT-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000840730006 587918474 /nfs/dbraw/zinc/91/84/74/587918474.db2.gz SFCZPBSEFBZZNI-CYBMUJFWSA-N 1 0 246.354 2.414 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000840745737 587919551 /nfs/dbraw/zinc/91/95/51/587919551.db2.gz OLYUIFZOJWDNCB-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842153837 588004176 /nfs/dbraw/zinc/00/41/76/588004176.db2.gz QKMALISVROCRFB-CQSZACIVSA-N 1 0 230.311 2.100 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842157743 588004705 /nfs/dbraw/zinc/00/47/05/588004705.db2.gz USMGIDOFQIARBL-CQSZACIVSA-N 1 0 230.311 2.100 20 30 BEEDRO C=CCCCc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000842665891 588050899 /nfs/dbraw/zinc/05/08/99/588050899.db2.gz XZIQNXJBVFJQMD-JTQLQIEISA-N 1 0 221.304 2.045 20 30 BEEDRO C=C[C@H](Cc1nc(CC[NH3+])no1)c1ccccc1 ZINC000843129686 588085586 /nfs/dbraw/zinc/08/55/86/588085586.db2.gz ZUFKWLMKUHDMJV-LLVKDONJSA-N 1 0 243.310 2.083 20 30 BEEDRO C=CCC(C)(C)c1noc(CC2([NH3+])CCC2)n1 ZINC000843234333 588094311 /nfs/dbraw/zinc/09/43/11/588094311.db2.gz GPVWDWDLMYUFHQ-UHFFFAOYSA-N 1 0 235.331 2.347 20 30 BEEDRO C=CCCc1noc([C@H](C[NH3+])c2ccccc2)n1 ZINC000843237936 588094791 /nfs/dbraw/zinc/09/47/91/588094791.db2.gz INNDZYSOYMNODT-GFCCVEGCSA-N 1 0 243.310 2.279 20 30 BEEDRO C=CCC(C)(C)c1noc(CC[C@@H]2CC[NH2+]C2)n1 ZINC000843234793 588094907 /nfs/dbraw/zinc/09/49/07/588094907.db2.gz ISFDOOPGCIAKLJ-LLVKDONJSA-N 1 0 249.358 2.465 20 30 BEEDRO C=CCC(C)(C)c1noc(CC2CC[NH2+]CC2)n1 ZINC000843234796 588095014 /nfs/dbraw/zinc/09/50/14/588095014.db2.gz ITGVVDSNSSTBIU-UHFFFAOYSA-N 1 0 249.358 2.465 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2conc2C)C1 ZINC000843422010 588107483 /nfs/dbraw/zinc/10/74/83/588107483.db2.gz BCDPGWZCAUBVTN-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cncn2CC)C1 ZINC000843423358 588107639 /nfs/dbraw/zinc/10/76/39/588107639.db2.gz MQBGZHHJTCGBJK-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000843423687 588107870 /nfs/dbraw/zinc/10/78/70/588107870.db2.gz IDYOBQIEIIGFLD-ZDUSSCGKSA-N 1 0 231.343 2.262 20 30 BEEDRO C#CC1CC[NH+](CC(C)(C)COC)CC1 ZINC000843427308 588108556 /nfs/dbraw/zinc/10/85/56/588108556.db2.gz ZNCSPEFYQIISBJ-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(C#N)cs2)CC1 ZINC000843427296 588108629 /nfs/dbraw/zinc/10/86/29/588108629.db2.gz YUBUTEDBTDDTOR-UHFFFAOYSA-N 1 0 230.336 2.465 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000843427237 588108687 /nfs/dbraw/zinc/10/86/87/588108687.db2.gz WLANUSQLJVUJIG-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)N(CC)OC ZINC000843431266 588109197 /nfs/dbraw/zinc/10/91/97/588109197.db2.gz YTCRUDLHPMRPJG-GFCCVEGCSA-N 1 0 242.363 2.121 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)N(CC)OC ZINC000843431267 588109317 /nfs/dbraw/zinc/10/93/17/588109317.db2.gz YTCRUDLHPMRPJG-LBPRGKRZSA-N 1 0 242.363 2.121 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000844201797 588173735 /nfs/dbraw/zinc/17/37/35/588173735.db2.gz SRUFMIOJSXNPQP-LBPRGKRZSA-N 1 0 236.359 2.134 20 30 BEEDRO N#CCC[NH2+]CCC[C@H]1CC1(Cl)Cl ZINC000844277901 588179303 /nfs/dbraw/zinc/17/93/03/588179303.db2.gz NOKJPRZEXLGKQL-QMMMGPOBSA-N 1 0 221.131 2.464 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1 ZINC000844313429 588183828 /nfs/dbraw/zinc/18/38/28/588183828.db2.gz RMSWYYUCCFJVLO-HZPDHXFCSA-N 1 0 242.366 2.435 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2snnc2C)C1 ZINC000844346097 588186435 /nfs/dbraw/zinc/18/64/35/588186435.db2.gz HRDNNYKCZIUDHY-LLVKDONJSA-N 1 0 235.356 2.082 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371925 588187183 /nfs/dbraw/zinc/18/71/83/588187183.db2.gz SLVQIXMOTWVDBR-OAHLLOKOSA-N 1 0 244.338 2.490 20 30 BEEDRO C=C(C)CON=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000844618993 588208986 /nfs/dbraw/zinc/20/89/86/588208986.db2.gz QUDNIYSJZOALKG-JTQLQIEISA-N 1 0 208.305 2.192 20 30 BEEDRO C=C[C@@H](C)ON=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000844621947 588209708 /nfs/dbraw/zinc/20/97/08/588209708.db2.gz QGLQAXXMMZSWKI-VHSXEESVSA-N 1 0 208.305 2.190 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CCC(=O)NC ZINC000106041371 588247079 /nfs/dbraw/zinc/24/70/79/588247079.db2.gz SERQWRYUDIXJKQ-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000845939898 588251062 /nfs/dbraw/zinc/25/10/62/588251062.db2.gz TZCSPLKIFNLLIG-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nonc2C)C1 ZINC000845971207 588251115 /nfs/dbraw/zinc/25/11/15/588251115.db2.gz YSDOPZRKLQIJLW-QWRGUYRKSA-N 1 0 221.304 2.212 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cnccn2)C1 ZINC000845949247 588251297 /nfs/dbraw/zinc/25/12/97/588251297.db2.gz OCGNKOISFAAKOL-STQMWFEESA-N 1 0 231.343 2.354 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846143428 588258423 /nfs/dbraw/zinc/25/84/23/588258423.db2.gz BRIAEKBEZXOBSK-NSHDSACASA-N 1 0 233.311 2.465 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846946081 588298185 /nfs/dbraw/zinc/29/81/85/588298185.db2.gz GAZVSURIMSUWOO-LLVKDONJSA-N 1 0 207.317 2.089 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(C(C)=O)CC1 ZINC000846946082 588298203 /nfs/dbraw/zinc/29/82/03/588298203.db2.gz GAZVSURIMSUWOO-NSHDSACASA-N 1 0 207.317 2.089 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000846963407 588298816 /nfs/dbraw/zinc/29/88/16/588298816.db2.gz VXVVFFFYTLVKJQ-GFCCVEGCSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@@H](CC#N)NCc1cccc2nsnc21 ZINC000846990576 588300758 /nfs/dbraw/zinc/30/07/58/588300758.db2.gz DNYCQGJDPHZIHC-JTQLQIEISA-N 1 0 246.339 2.473 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2CC(OCC)C2)C1 ZINC000847019933 588301700 /nfs/dbraw/zinc/30/17/00/588301700.db2.gz SWWPTHJDAHIZIU-IYXRBSQSSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000847019114 588301866 /nfs/dbraw/zinc/30/18/66/588301866.db2.gz OUXQYLCOSLQRJE-DZGCQCFKSA-N 1 0 235.371 2.273 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000847019026 588302000 /nfs/dbraw/zinc/30/20/00/588302000.db2.gz NPLPVHXGSMNVAS-NSHDSACASA-N 1 0 220.341 2.031 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000847022058 588302489 /nfs/dbraw/zinc/30/24/89/588302489.db2.gz FEIKXSBQQZSWPV-GDBMZVCRSA-N 1 0 243.350 2.239 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000847022060 588303033 /nfs/dbraw/zinc/30/30/33/588303033.db2.gz FEIKXSBQQZSWPV-HOCLYGCPSA-N 1 0 243.350 2.239 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](CC(C)C)OC)C1 ZINC000847036591 588304637 /nfs/dbraw/zinc/30/46/37/588304637.db2.gz PGTJLYBFJWPQPP-KGLIPLIRSA-N 1 0 223.360 2.393 20 30 BEEDRO C=C(C)C(C)(C)C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847817610 588333128 /nfs/dbraw/zinc/33/31/28/588333128.db2.gz KULLWHDJIWCXQX-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCCOc1cc[nH+]c2c1CCCC2 ZINC000848524965 588392223 /nfs/dbraw/zinc/39/22/23/588392223.db2.gz ITWJRKNQEZCSAG-UHFFFAOYSA-N 1 0 201.269 2.363 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000848535976 588393737 /nfs/dbraw/zinc/39/37/37/588393737.db2.gz MMQVZCDQEHMQFR-LBPRGKRZSA-N 1 0 217.316 2.111 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)[C@H]1CCCO1 ZINC000848545156 588395017 /nfs/dbraw/zinc/39/50/17/588395017.db2.gz AKNBGXBXZXYGIG-FVCCEPFGSA-N 1 0 239.384 2.041 20 30 BEEDRO C=CCCCCC[NH2+]Cc1nn(CC)nc1C ZINC000848563935 588397626 /nfs/dbraw/zinc/39/76/26/588397626.db2.gz ZMKBQZCWLSLOEH-UHFFFAOYSA-N 1 0 236.363 2.442 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(CC)c1O ZINC000848899383 588418137 /nfs/dbraw/zinc/41/81/37/588418137.db2.gz FKPJENPDIGIDDV-GFCCVEGCSA-N 1 0 249.354 2.229 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848901532 588418883 /nfs/dbraw/zinc/41/88/83/588418883.db2.gz VCEMWYJQBJEPAM-BQYQJAHWSA-N 1 0 249.310 2.474 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccoc2C)C1 ZINC000848923420 588421322 /nfs/dbraw/zinc/42/13/22/588421322.db2.gz DNZAGRVPCYDTSF-LBPRGKRZSA-N 1 0 203.285 2.433 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cncn2C(C)C)C1 ZINC000848923405 588421421 /nfs/dbraw/zinc/42/14/21/588421421.db2.gz DJFYXBQWZFSAOK-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C[C@H]1C[C@@H]1c1ccc(C[NH+]=C(N(C)C)N(C)C)o1 ZINC000848986075 588425557 /nfs/dbraw/zinc/42/55/57/588425557.db2.gz WEZLFWOAGMSWJP-JQWIXIFHSA-N 1 0 249.358 2.382 20 30 BEEDRO CCNC(NCC(C)(C)C(F)(F)F)=[NH+]CC ZINC000848989625 588426783 /nfs/dbraw/zinc/42/67/83/588426783.db2.gz LGRKSMFKNIPJOZ-UHFFFAOYSA-N 1 0 239.285 2.150 20 30 BEEDRO C[NH+]=C(NCCCC1CCCC1)NC1CC1 ZINC000848990969 588427035 /nfs/dbraw/zinc/42/70/35/588427035.db2.gz LSVCTZYFDTWNAW-UHFFFAOYSA-N 1 0 223.364 2.284 20 30 BEEDRO CC(C)CCC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C#N ZINC000849004020 588431659 /nfs/dbraw/zinc/43/16/59/588431659.db2.gz USIMSEYFSIGTAJ-NWDGAFQWSA-N 1 0 238.379 2.475 20 30 BEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NC[C@H](C)C#N ZINC000849004019 588431850 /nfs/dbraw/zinc/43/18/50/588431850.db2.gz USIMSEYFSIGTAJ-NEPJUHHUSA-N 1 0 238.379 2.475 20 30 BEEDRO C[NH+]=C(NC/C=C/c1ccccc1)NC1CC1 ZINC000849008755 588433955 /nfs/dbraw/zinc/43/39/55/588433955.db2.gz QBFPJNYNWNINFO-VMPITWQZSA-N 1 0 229.327 2.027 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCCCC2CCCC2)N1 ZINC000849009138 588434368 /nfs/dbraw/zinc/43/43/68/588434368.db2.gz GCNQMOMZWNXTND-LLVKDONJSA-N 1 0 223.364 2.284 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000849012749 588435991 /nfs/dbraw/zinc/43/59/91/588435991.db2.gz YPZRGFNRHCYSNO-UHFFFAOYSA-N 1 0 209.337 2.113 20 30 BEEDRO COc1cccc(NC(=[NH2+])NCC(C)(C)C#N)c1 ZINC000849017127 588437439 /nfs/dbraw/zinc/43/74/39/588437439.db2.gz FVTREFIZOHZHIC-UHFFFAOYSA-N 1 0 246.314 2.181 20 30 BEEDRO CCNC(NC[C@@H](SC)C(C)(C)C)=[NH+]CC ZINC000849017733 588437906 /nfs/dbraw/zinc/43/79/06/588437906.db2.gz FFUFWPVKODFPFT-SNVBAGLBSA-N 1 0 245.436 2.339 20 30 BEEDRO CCNC(NCc1cccc2cc[nH]c21)=[NH+]CC ZINC000849021141 588438955 /nfs/dbraw/zinc/43/89/55/588438955.db2.gz UDQGWBFVGKYWAO-UHFFFAOYSA-N 1 0 244.342 2.243 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026803 588440886 /nfs/dbraw/zinc/44/08/86/588440886.db2.gz VUWDOOSOHVXQBE-UHFFFAOYSA-N 1 0 236.363 2.229 20 30 BEEDRO CC(C)(CCC#N)CNC(=[NH2+])N1CCCCC1 ZINC000849029031 588442049 /nfs/dbraw/zinc/44/20/49/588442049.db2.gz XSAFMUZDVQFYMG-UHFFFAOYSA-N 1 0 236.363 2.327 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)CC(F)(F)F ZINC000849042393 588448347 /nfs/dbraw/zinc/44/83/47/588448347.db2.gz LURSDVVDXXEYAP-QMMMGPOBSA-N 1 0 237.269 2.265 20 30 BEEDRO CCNC(N[C@@H]1C[C@]1(F)c1ccccc1)=[NH+]CC ZINC000849044708 588449304 /nfs/dbraw/zinc/44/93/04/588449304.db2.gz CTZXWSVJDDRJIZ-OCCSQVGLSA-N 1 0 249.333 2.199 20 30 BEEDRO C=CCCCCCNC(=[NH2+])NCC(=C)C ZINC000849048694 588451175 /nfs/dbraw/zinc/45/11/75/588451175.db2.gz HVHGJXABFRKIIW-UHFFFAOYSA-N 1 0 209.337 2.423 20 30 BEEDRO CCNC(NCc1cccc(C)c1OC)=[NH+]CC ZINC000849050207 588451942 /nfs/dbraw/zinc/45/19/42/588451942.db2.gz VMXPWPPVLCDKSX-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCCCCCNC1=[NH+]CCCCN1 ZINC000849218186 588462948 /nfs/dbraw/zinc/46/29/48/588462948.db2.gz PHDWJBDQWMCQEL-UHFFFAOYSA-N 1 0 209.337 2.062 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@@H](Cc2ccccc2)C1 ZINC000849366929 588476111 /nfs/dbraw/zinc/47/61/11/588476111.db2.gz GDPYIBAZWGTEPE-BSZDNMLHSA-N 1 0 245.370 2.098 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCC=C)cc1 ZINC000850354229 588537989 /nfs/dbraw/zinc/53/79/89/588537989.db2.gz ALRQRISWVZTCHI-UHFFFAOYSA-N 1 0 215.296 2.364 20 30 BEEDRO N#Cc1ccc(CC[NH2+]C[C@H]2CCCOC2)cc1 ZINC000850346361 588538041 /nfs/dbraw/zinc/53/80/41/588538041.db2.gz SFUDTXPRQCSLIU-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN(C)C(=O)OC)C1 ZINC000850389934 588543252 /nfs/dbraw/zinc/54/32/52/588543252.db2.gz MNYFBZVEEOFVNU-NEPJUHHUSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](COC)CC1CCOCC1 ZINC000850443713 588545343 /nfs/dbraw/zinc/54/53/43/588545343.db2.gz NDKBLRRFJDXNQN-GFCCVEGCSA-N 1 0 247.766 2.160 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)CSCCF ZINC000850442465 588547047 /nfs/dbraw/zinc/54/70/47/588547047.db2.gz DHUVZLDVNSGNBR-JTQLQIEISA-N 1 0 235.393 2.034 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)CSCCF ZINC000850442469 588547068 /nfs/dbraw/zinc/54/70/68/588547068.db2.gz DHUVZLDVNSGNBR-SNVBAGLBSA-N 1 0 235.393 2.034 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000850449903 588547463 /nfs/dbraw/zinc/54/74/63/588547463.db2.gz YYTRRUGWJNBVQQ-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000850473290 588549258 /nfs/dbraw/zinc/54/92/58/588549258.db2.gz WJDKLNIRSKQYTG-OAHLLOKOSA-N 1 0 241.334 2.469 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850487742 588551963 /nfs/dbraw/zinc/55/19/63/588551963.db2.gz JDPZXAJKJBNYHQ-BXUZGUMPSA-N 1 0 214.312 2.489 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850526462 588556787 /nfs/dbraw/zinc/55/67/87/588556787.db2.gz VDOVQTSAOWWWCY-AGIUHOORSA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCN(C)C(=O)OC)C1CC1 ZINC000850547948 588559203 /nfs/dbraw/zinc/55/92/03/588559203.db2.gz KYGYGMIEXNBRIM-GFCCVEGCSA-N 1 0 240.347 2.019 20 30 BEEDRO C=CCC[C@H]([NH2+]CCN(C)C(=O)OC)C1CC1 ZINC000850547949 588559262 /nfs/dbraw/zinc/55/92/62/588559262.db2.gz KYGYGMIEXNBRIM-LBPRGKRZSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000110115918 588611931 /nfs/dbraw/zinc/61/19/31/588611931.db2.gz XHWYNDXKXCTMSS-SFYZADRCSA-N 1 0 243.656 2.127 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1COC(C)(C)O1 ZINC000851720453 588616977 /nfs/dbraw/zinc/61/69/77/588616977.db2.gz KKLQVLCKGDRSOD-NSHDSACASA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCOCC[N@@H+](CCC(C)C)C1CC1 ZINC000851727337 588618627 /nfs/dbraw/zinc/61/86/27/588618627.db2.gz KSUCFYNMTHSUPO-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](CCC(OC)OC)C1CCCCC1 ZINC000851737368 588620579 /nfs/dbraw/zinc/62/05/79/588620579.db2.gz AREPVPDJCBFQFP-UHFFFAOYSA-N 1 0 239.359 2.263 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000851745918 588622019 /nfs/dbraw/zinc/62/20/19/588622019.db2.gz ODORKEYILHANRZ-HNNXBMFYSA-N 1 0 243.350 2.434 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000851752974 588623647 /nfs/dbraw/zinc/62/36/47/588623647.db2.gz PZAOZDCOJORLST-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000851762558 588624518 /nfs/dbraw/zinc/62/45/18/588624518.db2.gz SOMVYNJSGMKIRE-CYBMUJFWSA-N 1 0 229.323 2.256 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1COC(C)(C)O1 ZINC000851780503 588627352 /nfs/dbraw/zinc/62/73/52/588627352.db2.gz TYCHPHXBIOKXJD-LLVKDONJSA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCOCC[N@H+]1CCCCC[C@H]1CC ZINC000851781045 588627512 /nfs/dbraw/zinc/62/75/12/588627512.db2.gz MWXGSWBJGOWURD-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCOCC[N@@H+]1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000851786378 588628846 /nfs/dbraw/zinc/62/88/46/588628846.db2.gz ZQJRKMCYTOWUCK-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCOCC[N@@H+](CCC)Cc1ccccc1O ZINC000851791731 588629097 /nfs/dbraw/zinc/62/90/97/588629097.db2.gz GSGLTPVHKDSFNK-UHFFFAOYSA-N 1 0 247.338 2.254 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@](C)(CC)C1 ZINC000851790938 588629228 /nfs/dbraw/zinc/62/92/28/588629228.db2.gz RYRNNUNQQRPXJT-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000851799686 588630271 /nfs/dbraw/zinc/63/02/71/588630271.db2.gz DJAGBKUMURHPOK-AWEZNQCLSA-N 1 0 233.286 2.222 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](CCC)C1 ZINC000851807198 588631670 /nfs/dbraw/zinc/63/16/70/588631670.db2.gz BJLYLXSEUFBWSV-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1ccc(F)cc1 ZINC000851838911 588634333 /nfs/dbraw/zinc/63/43/33/588634333.db2.gz XFZSMCXXKBXMNZ-UHFFFAOYSA-N 1 0 235.302 2.300 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000851873373 588637541 /nfs/dbraw/zinc/63/75/41/588637541.db2.gz WKDACBNXUWCAKT-OAGGEKHMSA-N 1 0 246.398 2.064 20 30 BEEDRO C#CCCN1CC[NH+](C[C@H]2CCCC[C@@H]2C)CC1 ZINC000851872704 588637651 /nfs/dbraw/zinc/63/76/51/588637651.db2.gz JKSBAHNAGQUJMH-JKSUJKDBSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCOCC[NH2+]C1(c2ccccc2F)CC1 ZINC000851904323 588641934 /nfs/dbraw/zinc/64/19/34/588641934.db2.gz XANWQCCLVDQOAU-UHFFFAOYSA-N 1 0 233.286 2.054 20 30 BEEDRO C=C(C)C[N@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851910477 588642955 /nfs/dbraw/zinc/64/29/55/588642955.db2.gz POJCKXKJYBKGJW-NSHDSACASA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000851913512 588643292 /nfs/dbraw/zinc/64/32/92/588643292.db2.gz YGDDVDFKIOOHAW-WDEREUQCSA-N 1 0 249.276 2.299 20 30 BEEDRO N#CCC1CC[NH+](Cc2cccc(F)n2)CC1 ZINC000851920404 588643864 /nfs/dbraw/zinc/64/38/64/588643864.db2.gz NKUIGPOPNVBDQG-UHFFFAOYSA-N 1 0 233.290 2.346 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000851925510 588644516 /nfs/dbraw/zinc/64/45/16/588644516.db2.gz XBGFBEGVCDNTNC-MRXNPFEDSA-N 1 0 243.350 2.434 20 30 BEEDRO C#CCOCC[NH+]1CC(C)(C)CC(C)(C)C1 ZINC000851942072 588646247 /nfs/dbraw/zinc/64/62/47/588646247.db2.gz OWLVOCBBFCXPBI-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC[N@H+](CCOCc1ccccc1)C1CC1 ZINC000851938685 588646399 /nfs/dbraw/zinc/64/63/99/588646399.db2.gz WJPWXTSMCONRBS-UHFFFAOYSA-N 1 0 229.323 2.301 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](CC)CC(F)F)[C@@H]1CCCO1 ZINC000851951487 588647296 /nfs/dbraw/zinc/64/72/96/588647296.db2.gz XHBFSJDBLGVKGZ-SRVKXCTJSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@@H]1SCC ZINC000851952269 588647381 /nfs/dbraw/zinc/64/73/81/588647381.db2.gz KBWMZWUIVJPUAU-OLZOCXBDSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CCOCC[N@@H+]1Cc2ccccc2C2(CC2)C1 ZINC000851952394 588647673 /nfs/dbraw/zinc/64/76/73/588647673.db2.gz WVMQHXQFVGIIIE-UHFFFAOYSA-N 1 0 241.334 2.184 20 30 BEEDRO C#CCN(C)Cc1cccc(OC)c1Cl ZINC000851977826 588650761 /nfs/dbraw/zinc/65/07/61/588650761.db2.gz HCBNEJGAMPIQOY-UHFFFAOYSA-N 1 0 223.703 2.414 20 30 BEEDRO C#CC(C)(C)N(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000851986236 588651884 /nfs/dbraw/zinc/65/18/84/588651884.db2.gz GECYUDFCOJSVOT-ZIAGYGMSSA-N 1 0 236.403 2.308 20 30 BEEDRO C#CCCC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000852091274 588660791 /nfs/dbraw/zinc/66/07/91/588660791.db2.gz GRVBNBJNEVTXHG-CQSZACIVSA-N 1 0 246.354 2.144 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(C(=O)OC)c1 ZINC000852097023 588661868 /nfs/dbraw/zinc/66/18/68/588661868.db2.gz IOGXEASLDUDFCF-HNNXBMFYSA-N 1 0 245.322 2.365 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1ccc(C#N)cc1 ZINC000852098588 588662296 /nfs/dbraw/zinc/66/22/96/588662296.db2.gz QSBVIPREOTVDQN-HNNXBMFYSA-N 1 0 242.322 2.329 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(OCC)n1 ZINC000852102110 588662946 /nfs/dbraw/zinc/66/29/46/588662946.db2.gz VWFYESBPLXMOTA-CQSZACIVSA-N 1 0 232.327 2.372 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)C1CCCCC1 ZINC000852103348 588663303 /nfs/dbraw/zinc/66/33/03/588663303.db2.gz FGOHYVFGGHGVDP-UONOGXRCSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C)ccn1 ZINC000852103220 588663319 /nfs/dbraw/zinc/66/33/19/588663319.db2.gz AOEAUIITBJXXNS-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)C1CCCCC1 ZINC000852103346 588663494 /nfs/dbraw/zinc/66/34/94/588663494.db2.gz FGOHYVFGGHGVDP-KBPBESRZSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCC1(C#N)CCOCC1 ZINC000852104033 588663604 /nfs/dbraw/zinc/66/36/04/588663604.db2.gz YXVDMWYAVKAFRY-AWEZNQCLSA-N 1 0 248.370 2.478 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000852206327 588671404 /nfs/dbraw/zinc/67/14/04/588671404.db2.gz HCLOZVQOLNYRBB-RYUDHWBXSA-N 1 0 243.297 2.146 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000852206579 588672020 /nfs/dbraw/zinc/67/20/20/588672020.db2.gz MSUCMDFSMIGINR-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2ccccc2[C@@H](C)C1 ZINC000852212812 588672457 /nfs/dbraw/zinc/67/24/57/588672457.db2.gz DUPFLYIFIFVATM-AWEZNQCLSA-N 1 0 243.350 2.298 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000852217065 588673880 /nfs/dbraw/zinc/67/38/80/588673880.db2.gz SZVHMOQYFBKZEV-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1cnon1 ZINC000852302382 588677407 /nfs/dbraw/zinc/67/74/07/588677407.db2.gz AHEIVIXGYPPSRA-CMPLNLGQSA-N 1 0 221.304 2.294 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C1CC1 ZINC000852302448 588677520 /nfs/dbraw/zinc/67/75/20/588677520.db2.gz BJWJWAIHTAEMAS-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCN(CC(=C)Cl)[C@@H](C)COC ZINC000852357053 588679501 /nfs/dbraw/zinc/67/95/01/588679501.db2.gz WLARNIGSCSKRIS-JTQLQIEISA-N 1 0 203.713 2.262 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)c1ccccc1)[C@@H](C)COC ZINC000852357232 588680105 /nfs/dbraw/zinc/68/01/05/588680105.db2.gz YIOUQDXVNVVCIK-DZGCQCFKSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000852410092 588680626 /nfs/dbraw/zinc/68/06/26/588680626.db2.gz HRQQVVZWVSFCGL-WCQYABFASA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCO[C@H](C)C#N)C1 ZINC000852410241 588681479 /nfs/dbraw/zinc/68/14/79/588681479.db2.gz KIJSKTYWHHKFQS-OLZOCXBDSA-N 1 0 222.332 2.203 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC2(CC2)C(=O)O1)C(C)(C)C ZINC000852554194 588689606 /nfs/dbraw/zinc/68/96/06/588689606.db2.gz FZFJCPAIHGHCRL-NSHDSACASA-N 1 0 237.343 2.369 20 30 BEEDRO C=CC[N@H+](C[C@H]1CC2(CC2)C(=O)O1)C(C)(C)C ZINC000852554193 588689685 /nfs/dbraw/zinc/68/96/85/588689685.db2.gz FZFJCPAIHGHCRL-LLVKDONJSA-N 1 0 237.343 2.369 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C12CCC2 ZINC000852586838 588692275 /nfs/dbraw/zinc/69/22/75/588692275.db2.gz UHXRHSHGMZYRKU-VXGBXAGGSA-N 1 0 221.344 2.336 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccc(C)n1 ZINC000852685987 588695878 /nfs/dbraw/zinc/69/58/78/588695878.db2.gz NPJBXJWHMYIOMG-BETUJISGSA-N 1 0 229.327 2.468 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1COC(C)(C)O1 ZINC000852687267 588696222 /nfs/dbraw/zinc/69/62/22/588696222.db2.gz IAMOSZPLWVPOEB-XQQFMLRXSA-N 1 0 237.343 2.321 20 30 BEEDRO C=C(Cl)CNC(C)(C)C[N@@H+](C)CCC ZINC000852715428 588697697 /nfs/dbraw/zinc/69/76/97/588697697.db2.gz MSEZMBBHBHVBMD-UHFFFAOYSA-N 1 0 218.772 2.449 20 30 BEEDRO C#CCCCN1CC[N@@H+](CCCC#C)[C@H](C)[C@H]1C ZINC000852739943 588698571 /nfs/dbraw/zinc/69/85/71/588698571.db2.gz JXWKJPDXOJCIJQ-HZPDHXFCSA-N 1 0 246.398 2.208 20 30 BEEDRO C#CCC[N@H+](CCOC)CCSC(C)C ZINC000852748825 588699646 /nfs/dbraw/zinc/69/96/46/588699646.db2.gz HPSQNAQKVWOYIO-UHFFFAOYSA-N 1 0 229.389 2.100 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000852750419 588700254 /nfs/dbraw/zinc/70/02/54/588700254.db2.gz UXPIXUTXYJXCNZ-BTTYYORXSA-N 1 0 221.344 2.004 20 30 BEEDRO C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1CC1(C)C ZINC000852774742 588702006 /nfs/dbraw/zinc/70/20/06/588702006.db2.gz YHEDPAOXIORPPH-VXGBXAGGSA-N 1 0 219.332 2.408 20 30 BEEDRO C=CC[C@]1(C(=O)NCCCCCC)CCC[NH2+]1 ZINC000852800869 588704234 /nfs/dbraw/zinc/70/42/34/588704234.db2.gz UCZAZMFKTOKGAR-CQSZACIVSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC1(C(=O)OCC[NH+]2CCC2)CCCC1 ZINC000861391785 589164826 /nfs/dbraw/zinc/16/48/26/589164826.db2.gz YAZMGBVRRCDUBV-UHFFFAOYSA-N 1 0 237.343 2.372 20 30 BEEDRO CCCCCCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000861638344 589172218 /nfs/dbraw/zinc/17/22/18/589172218.db2.gz IDOXCDNQYUULCV-GFCCVEGCSA-N 1 0 243.395 2.239 20 30 BEEDRO CCCCCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000861655527 589173299 /nfs/dbraw/zinc/17/32/99/589173299.db2.gz RKDNYPGVNPZWQU-GFCCVEGCSA-N 1 0 241.379 2.090 20 30 BEEDRO C=CCN(Cc1nc(C)c(C)[nH]1)C(C)C ZINC000862225106 589195593 /nfs/dbraw/zinc/19/55/93/589195593.db2.gz XLKPJDCLOSEOMH-UHFFFAOYSA-N 1 0 207.321 2.423 20 30 BEEDRO Cc1c(F)nccc1CN(C)[C@@H](C)CC#N ZINC000862238866 589196407 /nfs/dbraw/zinc/19/64/07/589196407.db2.gz MWNGFBFBTBIGOW-VIFPVBQESA-N 1 0 221.279 2.263 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862280588 589199147 /nfs/dbraw/zinc/19/91/47/589199147.db2.gz MUVMOHVNSNRXGW-VIFPVBQESA-N 1 0 233.327 2.376 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000862356162 589202761 /nfs/dbraw/zinc/20/27/61/589202761.db2.gz WWXSUMFLIHSQQF-CHWSQXEVSA-N 1 0 240.391 2.413 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000862362570 589203959 /nfs/dbraw/zinc/20/39/59/589203959.db2.gz BQDLHISUANNBPQ-LLVKDONJSA-N 1 0 245.322 2.348 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(C2CC2)o1)C(C)C ZINC000862363496 589204176 /nfs/dbraw/zinc/20/41/76/589204176.db2.gz OYNJSYHUILQEDQ-LBPRGKRZSA-N 1 0 218.300 2.299 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862362526 589204246 /nfs/dbraw/zinc/20/42/46/589204246.db2.gz AOERZVUYEAIKMF-WPRPVWTQSA-N 1 0 201.260 2.422 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000862403388 589209286 /nfs/dbraw/zinc/20/92/86/589209286.db2.gz ZNBYAORJXRLBTK-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2c(C)noc2C)C1 ZINC000862443007 589213262 /nfs/dbraw/zinc/21/32/62/589213262.db2.gz KIXFSQQSTPFCFE-LBPRGKRZSA-N 1 0 218.300 2.137 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000862442992 589213283 /nfs/dbraw/zinc/21/32/83/589213283.db2.gz KDHOFLPDRCJRHE-NSHDSACASA-N 1 0 249.383 2.054 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cccc3c2OCO3)C1 ZINC000862442301 589213451 /nfs/dbraw/zinc/21/34/51/589213451.db2.gz BKJNITZHCAJZBK-GFCCVEGCSA-N 1 0 243.306 2.261 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000862442309 589213600 /nfs/dbraw/zinc/21/36/00/589213600.db2.gz BOZIFUSWIVLWEM-GFCCVEGCSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000862443502 589213731 /nfs/dbraw/zinc/21/37/31/589213731.db2.gz PZLWCWIEDBJAQG-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC000862443818 589213809 /nfs/dbraw/zinc/21/38/09/589213809.db2.gz UWCFGBPZBUGMIQ-LBPRGKRZSA-N 1 0 215.296 2.237 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000862445662 589214748 /nfs/dbraw/zinc/21/47/48/589214748.db2.gz ZCIKSFCWVSHIQZ-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CC2(C)COC2)cc1 ZINC000862479675 589217101 /nfs/dbraw/zinc/21/71/01/589217101.db2.gz XHRZOYCSZVTVTO-UHFFFAOYSA-N 1 0 229.323 2.136 20 30 BEEDRO C#Cc1ccc(CN2CCO[C@@H](CCF)C2)cc1 ZINC000862531085 589218444 /nfs/dbraw/zinc/21/84/44/589218444.db2.gz WNCWFRZQTDNKKL-HNNXBMFYSA-N 1 0 247.313 2.228 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CC1CC1 ZINC000862547590 589220156 /nfs/dbraw/zinc/22/01/56/589220156.db2.gz KFHVLBAARUACEW-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)c1ccccn1 ZINC000862547599 589220060 /nfs/dbraw/zinc/22/00/60/589220060.db2.gz KNFKDNHHJWGMSX-OLZOCXBDSA-N 1 0 232.327 2.161 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CC2(CCC2)C1 ZINC000862548609 589220440 /nfs/dbraw/zinc/22/04/40/589220440.db2.gz JETKTRICLNVXGT-GFCCVEGCSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)[C@H](C)CC=C ZINC000862549088 589220465 /nfs/dbraw/zinc/22/04/65/589220465.db2.gz VDBFZPMWJWGDSV-FRRDWIJNSA-N 1 0 209.333 2.215 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)CSCCF ZINC000862548443 589220474 /nfs/dbraw/zinc/22/04/74/589220474.db2.gz GFOOMYRNRYOIMC-VXGBXAGGSA-N 1 0 247.379 2.096 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H]1CCCSCC1 ZINC000862548784 589220492 /nfs/dbraw/zinc/22/04/92/589220492.db2.gz NVARVSPLYRPFDZ-QWHCGFSZSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](COC)CC(C)C ZINC000862549073 589220522 /nfs/dbraw/zinc/22/05/22/589220522.db2.gz UPVVFXVLDJYOMF-ZIAGYGMSSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000862548813 589220534 /nfs/dbraw/zinc/22/05/34/589220534.db2.gz OIQGPNZAFSXTRN-MCIONIFRSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000862551053 589220644 /nfs/dbraw/zinc/22/06/44/589220644.db2.gz QHPGCDMSPSQEKB-MOKVOYLWSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000862551708 589220708 /nfs/dbraw/zinc/22/07/08/589220708.db2.gz XXIPKJVXQNSDNW-HZSPNIEDSA-N 1 0 221.344 2.359 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CC1Cc2ccccc2C1 ZINC000862551746 589220793 /nfs/dbraw/zinc/22/07/93/589220793.db2.gz YUYWJMYXOFNFIP-MRXNPFEDSA-N 1 0 243.350 2.029 20 30 BEEDRO Cc1ccc([C@H](C)C=[NH+]n2cnnc2)cc1 ZINC000863063442 589253568 /nfs/dbraw/zinc/25/35/68/589253568.db2.gz RFKWPSLTQXGABP-LLVKDONJSA-N 1 0 214.272 2.224 20 30 BEEDRO Fc1ccccc1N=NC1C[N@@H+]2C[C@@H]1CCC2 ZINC000863077228 589254945 /nfs/dbraw/zinc/25/49/45/589254945.db2.gz MJJXYFYKEIWOIM-JTQLQIEISA-N 1 0 233.290 2.319 20 30 BEEDRO CCC(=[NH+]NC1CCOCC1)c1ccc(N)cc1 ZINC000863099090 589255736 /nfs/dbraw/zinc/25/57/36/589255736.db2.gz ATSVMPAJJSKOSL-UHFFFAOYSA-N 1 0 247.342 2.152 20 30 BEEDRO CCC(=[NH+]OCCCOC)c1ccc(N)cc1 ZINC000863114055 589258669 /nfs/dbraw/zinc/25/86/69/589258669.db2.gz ZITVHDLCTALMOF-UHFFFAOYSA-N 1 0 236.315 2.436 20 30 BEEDRO C=CC1CC[NH+](CN2C[C@@H](CC)CC2=O)CC1 ZINC000119310820 589264279 /nfs/dbraw/zinc/26/42/79/589264279.db2.gz DOQKYVUMULPFDB-ZDUSSCGKSA-N 1 0 236.359 2.100 20 30 BEEDRO CCOC(=O)[C@@H]1CCC(=[NH+]n2cccn2)[C@H](C)C1 ZINC000863164615 589266845 /nfs/dbraw/zinc/26/68/45/589266845.db2.gz PXFUJKLZTDCOQU-GHMZBOCLSA-N 1 0 249.314 2.087 20 30 BEEDRO C=CCN(C)CN1C[C@H](c2ccccc2)OC1=O ZINC000863264366 589275130 /nfs/dbraw/zinc/27/51/30/589275130.db2.gz GOULLVVABHDBDC-CYBMUJFWSA-N 1 0 246.310 2.255 20 30 BEEDRO CCCCCCC[NH2+]C[C@@H](O)CSC ZINC000863560358 589298752 /nfs/dbraw/zinc/29/87/52/589298752.db2.gz GMIYWTZRGXAXDU-LLVKDONJSA-N 1 0 219.394 2.270 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cnn(CC#N)c2)cc1 ZINC000863692233 589310781 /nfs/dbraw/zinc/31/07/81/589310781.db2.gz SJDASDYXTIHSME-UHFFFAOYSA-N 1 0 240.310 2.135 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])NC(CC)CC ZINC000864464591 589370326 /nfs/dbraw/zinc/37/03/26/589370326.db2.gz XSJGUASJNGEXRK-NSHDSACASA-N 1 0 209.337 2.091 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])NCCC1CC1 ZINC000864467205 589371299 /nfs/dbraw/zinc/37/12/99/589371299.db2.gz UGAAUMSUJIYMFG-UHFFFAOYSA-N 1 0 209.337 2.113 20 30 BEEDRO C=C(CC)CNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864467183 589371868 /nfs/dbraw/zinc/37/18/68/589371868.db2.gz UBSKACMWQTUXBB-NSHDSACASA-N 1 0 209.337 2.209 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C(F)=C\CC)CC1 ZINC000865193533 589413940 /nfs/dbraw/zinc/41/39/40/589413940.db2.gz MSZDMKACGUERPF-LFYBBSHMSA-N 1 0 240.322 2.016 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000120540695 589434467 /nfs/dbraw/zinc/43/44/67/589434467.db2.gz ULOQJVXOJJSKRD-QWHCGFSZSA-N 1 0 220.360 2.005 20 30 BEEDRO N#CCCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865526835 589443374 /nfs/dbraw/zinc/44/33/74/589443374.db2.gz ZRPIBTKXJYFTFM-UHFFFAOYSA-N 1 0 227.670 2.267 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865530876 589443817 /nfs/dbraw/zinc/44/38/17/589443817.db2.gz ITRGMWKQZXNNHG-UHFFFAOYSA-N 1 0 244.342 2.414 20 30 BEEDRO C#CCCCNc1cc[nH+]cc1C(F)(F)F ZINC000865566470 589447458 /nfs/dbraw/zinc/44/74/58/589447458.db2.gz ZOFVRPNEEOXNRN-UHFFFAOYSA-N 1 0 228.217 2.348 20 30 BEEDRO CCCNc1cc(NCCCC#N)ncn1 ZINC000865670567 589455401 /nfs/dbraw/zinc/45/54/01/589455401.db2.gz AEUWOCZEUCZHGO-UHFFFAOYSA-N 1 0 219.292 2.014 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)c2ccnn2C)cc1 ZINC000865838663 589464291 /nfs/dbraw/zinc/46/42/91/589464291.db2.gz LYFQIBAWEUMJQY-GFCCVEGCSA-N 1 0 239.322 2.252 20 30 BEEDRO C[C@H]([NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000865847190 589464627 /nfs/dbraw/zinc/46/46/27/589464627.db2.gz AFUNRIBIJVCKAD-BONVTDFDSA-N 1 0 226.323 2.414 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cccnc1)C2 ZINC000865848916 589464865 /nfs/dbraw/zinc/46/48/65/589464865.db2.gz QSMLMVXTRLXOCA-INIZCTEOSA-N 1 0 249.317 2.210 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H](O)C2CCCC2)o1 ZINC000865876953 589466891 /nfs/dbraw/zinc/46/68/91/589466891.db2.gz ZVTNTPIKFFOKLK-CQSZACIVSA-N 1 0 248.326 2.182 20 30 BEEDRO C=CCCNc1nc(N)nc(C2CCCC2)n1 ZINC000865936177 589469242 /nfs/dbraw/zinc/46/92/42/589469242.db2.gz HMZAAGYKDYXRCQ-UHFFFAOYSA-N 1 0 233.319 2.099 20 30 BEEDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C#N)cc3)CC[C@H]21 ZINC000866208358 589480471 /nfs/dbraw/zinc/48/04/71/589480471.db2.gz UAPSZKYTPDNSNC-DZGCQCFKSA-N 1 0 241.338 2.089 20 30 BEEDRO C#CCCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866274708 589483838 /nfs/dbraw/zinc/48/38/38/589483838.db2.gz QZMOZXGDINFXMA-ZIAGYGMSSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)CCc1cccnc1 ZINC000866335899 589486669 /nfs/dbraw/zinc/48/66/69/589486669.db2.gz FSVQPLAIPCAAQU-CYBMUJFWSA-N 1 0 234.343 2.195 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866337203 589486717 /nfs/dbraw/zinc/48/67/17/589486717.db2.gz UWUOWIBOANIVAS-QWHCGFSZSA-N 1 0 222.332 2.227 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000866472674 589494800 /nfs/dbraw/zinc/49/48/00/589494800.db2.gz CQUYOQIGHPSKNB-JQWIXIFHSA-N 1 0 233.290 2.393 20 30 BEEDRO COC(C)(C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000866505258 589498253 /nfs/dbraw/zinc/49/82/53/589498253.db2.gz JSBHVVRCCDEOJF-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000866511644 589498647 /nfs/dbraw/zinc/49/86/47/589498647.db2.gz DTXZAOCNIDBFBL-UNQGMJICSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CSC[C@H]3C2)C1 ZINC000866584632 589502147 /nfs/dbraw/zinc/50/21/47/589502147.db2.gz PLWDITPOSJZKHO-LPWJVIDDSA-N 1 0 236.384 2.364 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617815 589505444 /nfs/dbraw/zinc/50/54/44/589505444.db2.gz PVOKRJHSEIHYPE-GJZGRUSLSA-N 1 0 244.338 2.040 20 30 BEEDRO COCC[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617270 589505546 /nfs/dbraw/zinc/50/55/46/589505546.db2.gz GILYRXHFQSFKOB-XHDPSFHLSA-N 1 0 244.338 2.040 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H](O)C2CCCC2)C1 ZINC000866638020 589506749 /nfs/dbraw/zinc/50/67/49/589506749.db2.gz CHAPNWCENUGDDX-XBFCOCLRSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000122160633 589559662 /nfs/dbraw/zinc/55/96/62/589559662.db2.gz KHWPDFPFZJTMRX-MRVPVSSYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000122530461 589599402 /nfs/dbraw/zinc/59/94/02/589599402.db2.gz MDNJIFWXDJQDHP-UHFFFAOYSA-N 1 0 246.354 2.189 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000123084385 589661193 /nfs/dbraw/zinc/66/11/93/589661193.db2.gz MIDVKGSFGYWEOM-SECBINFHSA-N 1 0 229.283 2.089 20 30 BEEDRO C#CCCCCCC(=O)O[C@@H](CC)C[NH+](C)C ZINC000870549642 589673850 /nfs/dbraw/zinc/67/38/50/589673850.db2.gz DXRPUWANHCJMOK-ZDUSSCGKSA-N 1 0 239.359 2.454 20 30 BEEDRO CC#CCCCC(=O)O[C@@H](CC)C[NH+](C)C ZINC000870552563 589675018 /nfs/dbraw/zinc/67/50/18/589675018.db2.gz HDCQLUKIDFZWDE-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C=C(Br)CNc1cc(CC)ncn1 ZINC000123464739 589719104 /nfs/dbraw/zinc/71/91/04/589719104.db2.gz BRTFDQLVKOMCJJ-UHFFFAOYSA-N 1 0 242.120 2.360 20 30 BEEDRO CC(C)NC(=[NH2+])NCc1nc(C(C)C)cs1 ZINC000123685866 589770244 /nfs/dbraw/zinc/77/02/44/589770244.db2.gz GDUQLKZPAFAZNQ-UHFFFAOYSA-N 1 0 240.376 2.079 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871884494 589827522 /nfs/dbraw/zinc/82/75/22/589827522.db2.gz YMWJSMGADUOVCD-TZMCWYRMSA-N 1 0 244.338 2.323 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@H]1CCSC1 ZINC000871891158 589830265 /nfs/dbraw/zinc/83/02/65/589830265.db2.gz LRVKOBCFHLBZJV-NWDGAFQWSA-N 1 0 237.372 2.163 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000871939549 589834720 /nfs/dbraw/zinc/83/47/20/589834720.db2.gz WQTQEAMXELWEFU-AVGNSLFASA-N 1 0 229.327 2.319 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cc(O)ccc1F ZINC000872060154 589861816 /nfs/dbraw/zinc/86/18/16/589861816.db2.gz NCJLXCMJGQJTAV-VIFPVBQESA-N 1 0 222.263 2.486 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cccc(O)c1F ZINC000872059642 589862741 /nfs/dbraw/zinc/86/27/41/589862741.db2.gz GWDMMPZZZWHLPZ-VIFPVBQESA-N 1 0 222.263 2.486 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCOC1 ZINC000872063718 589862769 /nfs/dbraw/zinc/86/27/69/589862769.db2.gz SKKFOYZEKLMEKE-DGAVXFQQSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(O)c1F ZINC000872063557 589862985 /nfs/dbraw/zinc/86/29/85/589862985.db2.gz XMAHSBSXVHAKAK-NXEZZACHSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872086141 589866804 /nfs/dbraw/zinc/86/68/04/589866804.db2.gz SMFPHYRBLYWZMD-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1 ZINC000872106093 589872892 /nfs/dbraw/zinc/87/28/92/589872892.db2.gz DVBNLOHCMVXDKX-IKOXMDCHSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC[C@H]1CCOC1=O ZINC000872114033 589874752 /nfs/dbraw/zinc/87/47/52/589874752.db2.gz SZIMYIBBMJSKQX-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCOC2(C)C)CC1 ZINC000872140014 589880933 /nfs/dbraw/zinc/88/09/33/589880933.db2.gz VPCSBZVHLVNVDS-AVGNSLFASA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000872140092 589881312 /nfs/dbraw/zinc/88/13/12/589881312.db2.gz WUOLNKTXEGRFHL-IHRRRGAJSA-N 1 0 243.354 2.500 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC000872140741 589881727 /nfs/dbraw/zinc/88/17/27/589881727.db2.gz XFZJOLDCDMEIRR-MGPQQGTHSA-N 1 0 221.344 2.337 20 30 BEEDRO CCCCCCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216318 589895182 /nfs/dbraw/zinc/89/51/82/589895182.db2.gz QFXHFDLQADVAKQ-GFCCVEGCSA-N 1 0 231.380 2.068 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CCCCC2CC2)CC1 ZINC000872231826 589897942 /nfs/dbraw/zinc/89/79/42/589897942.db2.gz SAHDXZJJUMDKKS-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000872243183 589899450 /nfs/dbraw/zinc/89/94/50/589899450.db2.gz KHUBODSFEJVBPJ-SECBINFHSA-N 1 0 239.281 2.492 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](OC2CCC2)CC1 ZINC000872277881 589905256 /nfs/dbraw/zinc/90/52/56/589905256.db2.gz AGXMBBWYZXUXDR-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316527 589910724 /nfs/dbraw/zinc/91/07/24/589910724.db2.gz OBBMEEGHFYMEFJ-CVEARBPZSA-N 1 0 241.334 2.339 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C)c2ncccc2C1 ZINC000872317927 589910882 /nfs/dbraw/zinc/91/08/82/589910882.db2.gz IQCGAMRECDMSCQ-UHFFFAOYSA-N 1 0 231.343 2.300 20 30 BEEDRO C[NH+]1CCC(CN=Nc2ccccc2)CC1 ZINC000872324481 589912581 /nfs/dbraw/zinc/91/25/81/589912581.db2.gz SAVWPAXFGUEZGA-UHFFFAOYSA-N 1 0 217.316 2.426 20 30 BEEDRO c1nncn1[NH+]=C1CCCCc2ccccc2C1 ZINC000872324280 589912605 /nfs/dbraw/zinc/91/26/05/589912605.db2.gz OPIHHAZIAFALPB-UHFFFAOYSA-N 1 0 240.310 2.451 20 30 BEEDRO Cc1cccc(N=NC2CC[N@H+](C)[C@@H]2C)c1 ZINC000872325568 589913042 /nfs/dbraw/zinc/91/30/42/589913042.db2.gz WYDOUDDVMSWNAI-LLVKDONJSA-N 1 0 217.316 2.487 20 30 BEEDRO C[NH+]1CCC(CN=Nc2ccc(C#N)cc2)CC1 ZINC000872342022 589915033 /nfs/dbraw/zinc/91/50/33/589915033.db2.gz MGKXGTQJGIRWDB-UHFFFAOYSA-N 1 0 242.326 2.298 20 30 BEEDRO C[C@H]1C(N=Nc2cccc(F)c2F)CC[N@@H+]1C ZINC000872353524 589917209 /nfs/dbraw/zinc/91/72/09/589917209.db2.gz KKQBSPGDZOCMQT-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO CCNc1ccccc1C=[NH+]NC1CCOCC1 ZINC000872356713 589917758 /nfs/dbraw/zinc/91/77/58/589917758.db2.gz ZGDAJZSVIYMVRA-UHFFFAOYSA-N 1 0 247.342 2.221 20 30 BEEDRO COc1ccc(N=NC2CC[N@H+](C)[C@@H]2C)cc1 ZINC000872359522 589918625 /nfs/dbraw/zinc/91/86/25/589918625.db2.gz HRUOWYZVVGZRQY-SNVBAGLBSA-N 1 0 233.315 2.187 20 30 BEEDRO C=CCC1(C=NNC2=[NH+][C@H](C)CN2)CCCC1 ZINC000872364084 589920721 /nfs/dbraw/zinc/92/07/21/589920721.db2.gz CJDKHVGBQHTRCD-LLVKDONJSA-N 1 0 234.347 2.046 20 30 BEEDRO C=CCC1(C=NNC2=[NH+][C@@H](C)CN2)CCCC1 ZINC000872364085 589920733 /nfs/dbraw/zinc/92/07/33/589920733.db2.gz CJDKHVGBQHTRCD-NSHDSACASA-N 1 0 234.347 2.046 20 30 BEEDRO C[C@H]1C(=NOCCC(F)(F)F)CC[N@H+]1C ZINC000872366279 589921435 /nfs/dbraw/zinc/92/14/35/589921435.db2.gz VBUZZGUMRCSATC-ZETCQYMHSA-N 1 0 224.226 2.035 20 30 BEEDRO CC(C)c1nccnc1N=NC1CC[N@H+](C)[C@H]1C ZINC000872371116 589923320 /nfs/dbraw/zinc/92/33/20/589923320.db2.gz JOXLHXOLVUSOLR-JTQLQIEISA-N 1 0 247.346 2.092 20 30 BEEDRO CCNc1ccccc1C=[NH+]NCC(C)(C)CO ZINC000872371191 589923414 /nfs/dbraw/zinc/92/34/14/589923414.db2.gz IYYBVRWHQCYISP-UHFFFAOYSA-N 1 0 249.358 2.060 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]NCC1CCCC1 ZINC000872374374 589924777 /nfs/dbraw/zinc/92/47/77/589924777.db2.gz XHEIHWNGIQGNKC-UHFFFAOYSA-N 1 0 232.331 2.086 20 30 BEEDRO C[C@H]1C(N=Nc2ccnc(Cl)c2)CC[N@@H+]1C ZINC000872388690 589931247 /nfs/dbraw/zinc/93/12/47/589931247.db2.gz VWXSXTYSQSWZSH-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[NH+](C)C[C@@](C)(C=NN1CCC1)c1ccccc1 ZINC000872398124 589934564 /nfs/dbraw/zinc/93/45/64/589934564.db2.gz FHRKJTIIRUWYFP-OAHLLOKOSA-N 1 0 245.370 2.197 20 30 BEEDRO C[NH2+]C1(CNc2cccc(C#N)n2)CCCCC1 ZINC000872629969 589957377 /nfs/dbraw/zinc/95/73/77/589957377.db2.gz VNOAIHNFFRFYHI-UHFFFAOYSA-N 1 0 244.342 2.287 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCC1OCCO1 ZINC000124388786 589983477 /nfs/dbraw/zinc/98/34/77/589983477.db2.gz IVAALYUYDNUZHE-UHFFFAOYSA-N 1 0 227.348 2.428 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873151969 589987113 /nfs/dbraw/zinc/98/71/13/589987113.db2.gz UBGKBHBFYBMYBF-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC(C)(C)COC)CC1 ZINC000873198191 589992286 /nfs/dbraw/zinc/99/22/86/589992286.db2.gz XEENCQNQWJNPPL-JOCQHMNTSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccc(OC)n2)CC1 ZINC000873198648 589993332 /nfs/dbraw/zinc/99/33/32/589993332.db2.gz TYQKYOBCGISTNM-JOCQHMNTSA-N 1 0 244.338 2.372 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019875900 590025028 /nfs/dbraw/zinc/02/50/28/590025028.db2.gz TYBOOZJRBVFJJJ-VIFPVBQESA-N 1 0 207.273 2.237 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874839122 590144916 /nfs/dbraw/zinc/14/49/16/590144916.db2.gz TUPLLMMJFPDBGI-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[S@](=O)CC)C1CC1 ZINC000125332248 590162088 /nfs/dbraw/zinc/16/20/88/590162088.db2.gz VEABNSJEGRBQKC-DOMZBBRYSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[S@@](=O)CC)C1CC1 ZINC000125332401 590162265 /nfs/dbraw/zinc/16/22/65/590162265.db2.gz VEABNSJEGRBQKC-IUODEOHRSA-N 1 0 229.389 2.089 20 30 BEEDRO [NH2+]=C(NCCc1ccco1)N1CCCCCC1 ZINC000125892040 590196518 /nfs/dbraw/zinc/19/65/18/590196518.db2.gz AAPOELCEVLSVNH-UHFFFAOYSA-N 1 0 235.331 2.013 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCC[C@H]1CC ZINC000876543792 590212882 /nfs/dbraw/zinc/21/28/82/590212882.db2.gz JHCALKJSEKBHKU-GHMZBOCLSA-N 1 0 244.766 2.247 20 30 BEEDRO C#CCCCCCC[N@@H+](C)Cc1cnn(C)c1 ZINC000876547627 590214063 /nfs/dbraw/zinc/21/40/63/590214063.db2.gz DFJFXSGGIVJWOU-UHFFFAOYSA-N 1 0 233.359 2.436 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCCCCC1 ZINC000876549205 590214679 /nfs/dbraw/zinc/21/46/79/590214679.db2.gz KGRCVHQRNNYZFZ-LLVKDONJSA-N 1 0 244.766 2.295 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)C1CC1 ZINC000876580325 590218533 /nfs/dbraw/zinc/21/85/33/590218533.db2.gz JEAOKENFLCGKQY-UHFFFAOYSA-N 1 0 229.327 2.218 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)CC1 ZINC000876627594 590223624 /nfs/dbraw/zinc/22/36/24/590223624.db2.gz RXOOAUXWRTYIKZ-MWLCHTKSSA-N 1 0 244.766 2.105 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876636122 590224340 /nfs/dbraw/zinc/22/43/40/590224340.db2.gz CJROVMWCKWVACJ-LBPRGKRZSA-N 1 0 243.354 2.466 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)[C@H]1C ZINC000876635613 590224566 /nfs/dbraw/zinc/22/45/66/590224566.db2.gz ZRIXEOIPEUQWAV-GDPRMGEGSA-N 1 0 244.766 2.103 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(O)c1 ZINC000876652632 590226049 /nfs/dbraw/zinc/22/60/49/590226049.db2.gz FXYLMDBGOPRNEM-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO CC[C@@](C)(C[NH+]1CCC(C#N)CC1)OC ZINC000876653902 590226120 /nfs/dbraw/zinc/22/61/20/590226120.db2.gz VVXGCSUZBLJQHH-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH+]1CCC(C#N)CC1)OC ZINC000876652706 590226419 /nfs/dbraw/zinc/22/64/19/590226419.db2.gz HTLQBXFHUPCWRC-YPMHNXCESA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCC[C@@H]1C ZINC000876663441 590227228 /nfs/dbraw/zinc/22/72/28/590227228.db2.gz VNQZFDQWZDHMCH-WDEREUQCSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC000876667254 590227770 /nfs/dbraw/zinc/22/77/70/590227770.db2.gz CDSCOWFCVYKEPI-PSASIEDQSA-N 1 0 246.782 2.255 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)CC1(C)C ZINC000876669439 590227838 /nfs/dbraw/zinc/22/78/38/590227838.db2.gz MJXCBKSZXFJECR-SCZZXKLOSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@H]1CCOC1 ZINC000876690013 590230854 /nfs/dbraw/zinc/23/08/54/590230854.db2.gz DZRCYAZVGLCLNM-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC[C@H](C)O ZINC000876745951 590236095 /nfs/dbraw/zinc/23/60/95/590236095.db2.gz NFEKBVSJYHXHPR-ZDUSSCGKSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@](C)(O)C1 ZINC000876759611 590238590 /nfs/dbraw/zinc/23/85/90/590238590.db2.gz OJPFZIPPUACFMK-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@H+](CC)CCCO ZINC000876766676 590239607 /nfs/dbraw/zinc/23/96/07/590239607.db2.gz PRUMCFCYXJRSBW-UHFFFAOYSA-N 1 0 211.349 2.274 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CCCC(=O)NC ZINC000876774107 590240096 /nfs/dbraw/zinc/24/00/96/590240096.db2.gz LKFVZKZVOYYRRZ-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO CC(C)(C)C#CC(=O)Nc1ccc(C[NH3+])cc1 ZINC000876807909 590244766 /nfs/dbraw/zinc/24/47/66/590244766.db2.gz BIBLSJXBMCFNKC-UHFFFAOYSA-N 1 0 230.311 2.133 20 30 BEEDRO C#CCCCCCC[NH2+]CC(C)(C)C(=O)OC ZINC000876880212 590252716 /nfs/dbraw/zinc/25/27/16/590252716.db2.gz RJSUORCCKDQQJP-UHFFFAOYSA-N 1 0 239.359 2.359 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCC1CC1 ZINC000876897817 590255129 /nfs/dbraw/zinc/25/51/29/590255129.db2.gz GHQJSDGTEWMHIV-MWLCHTKSSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000876936368 590258840 /nfs/dbraw/zinc/25/88/40/590258840.db2.gz HSTIZGUYYNRUHK-SNVBAGLBSA-N 1 0 246.782 2.351 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)N1CCCCC1 ZINC000876956596 590260925 /nfs/dbraw/zinc/26/09/25/590260925.db2.gz LPFYTJXRSHTTBZ-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000876987658 590265178 /nfs/dbraw/zinc/26/51/78/590265178.db2.gz DFIIZZZOBHGONB-TZMCWYRMSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)CCNC(=O)c1cccc(C[NH3+])c1 ZINC000876990820 590266090 /nfs/dbraw/zinc/26/60/90/590266090.db2.gz NFZARXWLMWSMGR-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO C#CCCCCCC[NH2+]CCn1ccnc1C ZINC000876991947 590266291 /nfs/dbraw/zinc/26/62/91/590266291.db2.gz WTRNBPRBAAMIQU-UHFFFAOYSA-N 1 0 233.359 2.365 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](O)C(C)C ZINC000877035889 590272752 /nfs/dbraw/zinc/27/27/52/590272752.db2.gz BCINZCUMKHXLGT-CYBMUJFWSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCSCC[NH2+]Cc1nc2ccccc2o1 ZINC000877047612 590274429 /nfs/dbraw/zinc/27/44/29/590274429.db2.gz BPUAQYTWMYGRDT-UHFFFAOYSA-N 1 0 246.335 2.284 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)[C@H](C)CO ZINC000877058099 590275659 /nfs/dbraw/zinc/27/56/59/590275659.db2.gz UYKLEUBCUAYOCK-OLZOCXBDSA-N 1 0 211.349 2.177 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+]C[C@H](C)CCC#N)o1 ZINC000877058567 590276232 /nfs/dbraw/zinc/27/62/32/590276232.db2.gz CDYCWIRLBCMXOI-PWSUYJOCSA-N 1 0 236.315 2.151 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+]C[C@@H](C)CCC#N)o1 ZINC000877058565 590276305 /nfs/dbraw/zinc/27/63/05/590276305.db2.gz CDYCWIRLBCMXOI-CMPLNLGQSA-N 1 0 236.315 2.151 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000877070479 590277545 /nfs/dbraw/zinc/27/75/45/590277545.db2.gz OUYMAHLPFBQHMV-LBPRGKRZSA-N 1 0 232.327 2.024 20 30 BEEDRO CC1(O)CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000877075933 590278692 /nfs/dbraw/zinc/27/86/92/590278692.db2.gz SYZSIFZNXJXUIS-UHFFFAOYSA-N 1 0 236.359 2.352 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@]1(O)CCSC1 ZINC000877082266 590279701 /nfs/dbraw/zinc/27/97/01/590279701.db2.gz OOVVFMOYOMAMLB-CYBMUJFWSA-N 1 0 241.400 2.028 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CSCCS1 ZINC000877084005 590280251 /nfs/dbraw/zinc/28/02/51/590280251.db2.gz DDKRGNLWAKVSFN-GHMZBOCLSA-N 1 0 244.429 2.364 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C1CC=CC1 ZINC000877094222 590281414 /nfs/dbraw/zinc/28/14/14/590281414.db2.gz OQPUWDXSNMWZHH-UHFFFAOYSA-N 1 0 241.338 2.432 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CC1(C)CCCC1 ZINC000877129813 590289816 /nfs/dbraw/zinc/28/98/16/590289816.db2.gz FXKQVGSSNAKHDP-LBPRGKRZSA-N 1 0 211.349 2.341 20 30 BEEDRO N#CC1CCC([NH2+]CCCCCCO)CC1 ZINC000877137148 590291203 /nfs/dbraw/zinc/29/12/03/590291203.db2.gz DLWSKUZUEAWABE-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO C=C(Cl)C[NH2+]CC1CC(OCC)C1 ZINC000877150071 590292679 /nfs/dbraw/zinc/29/26/79/590292679.db2.gz WAVJVQUAHMAMRL-UHFFFAOYSA-N 1 0 203.713 2.144 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+]C1CCC(C#N)CC1 ZINC000877153405 590293031 /nfs/dbraw/zinc/29/30/31/590293031.db2.gz HVIXWQXAHGKCHC-IYXRBSQSSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C[C@H](C)O ZINC000877196328 590299713 /nfs/dbraw/zinc/29/97/13/590299713.db2.gz XPKBBRGRQOAQAT-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000877204828 590300871 /nfs/dbraw/zinc/30/08/71/590300871.db2.gz PUUIPNFVVGZVLE-MWLCHTKSSA-N 1 0 244.766 2.151 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000877303104 590310329 /nfs/dbraw/zinc/31/03/29/590310329.db2.gz AXTZVXHIRHCLSI-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1cccc(O)c1C[NH2+]CCCC#N ZINC000877303222 590310495 /nfs/dbraw/zinc/31/04/95/590310495.db2.gz DMCBNXPOXHJEJC-UHFFFAOYSA-N 1 0 204.273 2.094 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC[C@@H](C)[NH3+] ZINC000877303849 590310839 /nfs/dbraw/zinc/31/08/39/590310839.db2.gz OVXPWNFHZMLWPH-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000877303799 590311124 /nfs/dbraw/zinc/31/11/24/590311124.db2.gz MWSRTZCNWQFVRP-CQSZACIVSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000877321882 590316445 /nfs/dbraw/zinc/31/64/45/590316445.db2.gz VKOANMDDPHRTPX-RYUDHWBXSA-N 1 0 217.316 2.152 20 30 BEEDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)C#N ZINC000877323186 590317307 /nfs/dbraw/zinc/31/73/07/590317307.db2.gz XJGBPEDLMAFXLL-UHFFFAOYSA-N 1 0 218.300 2.340 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000877339018 590317945 /nfs/dbraw/zinc/31/79/45/590317945.db2.gz PJFYKYNGKHRDKQ-ZDUSSCGKSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000877336486 590318047 /nfs/dbraw/zinc/31/80/47/590318047.db2.gz JXUFSDQDKBADJU-CJNGLKHVSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391834 590321901 /nfs/dbraw/zinc/32/19/01/590321901.db2.gz DPWJJGNKURFHDQ-UKRRQHHQSA-N 1 0 248.370 2.156 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)C/C=C/C ZINC000877404639 590324067 /nfs/dbraw/zinc/32/40/67/590324067.db2.gz DAXXDGUERYDOJF-YVZNUBBCSA-N 1 0 223.360 2.487 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC1(CO)CC1 ZINC000877462272 590332909 /nfs/dbraw/zinc/33/29/09/590332909.db2.gz PUJBCFYWMRVOGV-UHFFFAOYSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CCCCCCC[N@H+](C)CCCCO ZINC000877470499 590334988 /nfs/dbraw/zinc/33/49/88/590334988.db2.gz DZCSJBONDSVDOT-UHFFFAOYSA-N 1 0 211.349 2.274 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1c(C)cccc1O ZINC000877474051 590336251 /nfs/dbraw/zinc/33/62/51/590336251.db2.gz VLKHWFZNMIKOMD-UHFFFAOYSA-N 1 0 235.327 2.335 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CC2(Cl)Cl)CC1 ZINC000877494006 590340569 /nfs/dbraw/zinc/34/05/69/590340569.db2.gz KKHNHZNVKXHXRM-SSDOTTSWSA-N 1 0 219.115 2.074 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000877512770 590342406 /nfs/dbraw/zinc/34/24/06/590342406.db2.gz AVURPKCSRKXAFT-CMPLNLGQSA-N 1 0 217.316 2.156 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000877513230 590343395 /nfs/dbraw/zinc/34/33/95/590343395.db2.gz OOKSNKZAAPVEMX-OCCSQVGLSA-N 1 0 246.354 2.269 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)C(C)C ZINC000877513052 590343945 /nfs/dbraw/zinc/34/39/45/590343945.db2.gz KEFIGUWPAZEXGR-IUCAKERBSA-N 1 0 220.143 2.428 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H]1CCc2cccnc2CC1 ZINC000877512873 590343954 /nfs/dbraw/zinc/34/39/54/590343954.db2.gz FAXKDFXOVHPLEF-KBPBESRZSA-N 1 0 228.339 2.330 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(Cl)c1N ZINC000877513220 590344170 /nfs/dbraw/zinc/34/41/70/590344170.db2.gz OLIRNHTWISZLLX-JTQLQIEISA-N 1 0 222.719 2.424 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877513080 590344247 /nfs/dbraw/zinc/34/42/47/590344247.db2.gz KQDJULJTKIIZTC-SECBINFHSA-N 1 0 226.682 2.376 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000877513802 590344689 /nfs/dbraw/zinc/34/46/89/590344689.db2.gz CRZRCSRGZPOYGR-CHWSQXEVSA-N 1 0 213.324 2.403 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1nonc1C ZINC000877526163 590348185 /nfs/dbraw/zinc/34/81/85/590348185.db2.gz GYXWRQQARAXJHB-UHFFFAOYSA-N 1 0 221.304 2.051 20 30 BEEDRO C#C[C@@H]([NH2+]CCC[C@@H]1CCO1)C(C)(C)C ZINC000877534323 590349619 /nfs/dbraw/zinc/34/96/19/590349619.db2.gz FQYSNRHILIWVJC-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(n2cccn2)C1)C(C)(C)C ZINC000877535332 590350151 /nfs/dbraw/zinc/35/01/51/590350151.db2.gz ZLWYVUFAXKUAGV-WXRRBKDZSA-N 1 0 231.343 2.224 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H]1COC ZINC000877551335 590355757 /nfs/dbraw/zinc/35/57/57/590355757.db2.gz ZPBFDUQRGLJJSA-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877574951 590362778 /nfs/dbraw/zinc/36/27/78/590362778.db2.gz AEYNOFYUXGAOED-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C#CCCCCCC[NH+]1CC(OCC)C1 ZINC000877580618 590365048 /nfs/dbraw/zinc/36/50/48/590365048.db2.gz VGNHCNVQARVYGK-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C(=O)NC(C)C ZINC000877592793 590368541 /nfs/dbraw/zinc/36/85/41/590368541.db2.gz UJQBQSCSMJMLBR-CYBMUJFWSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000877604812 590371307 /nfs/dbraw/zinc/37/13/07/590371307.db2.gz GXIUBBKOIAPRKX-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](OC)[C@@H](C)CC)C1 ZINC000877616745 590375140 /nfs/dbraw/zinc/37/51/40/590375140.db2.gz HAUUMVUBEKIZMD-MJBXVCDLSA-N 1 0 223.360 2.393 20 30 BEEDRO C=CCC[NH2+]Cc1nc(Cl)cs1 ZINC000877623404 590375369 /nfs/dbraw/zinc/37/53/69/590375369.db2.gz OJHDKJICNAQSDD-UHFFFAOYSA-N 1 0 202.710 2.462 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)C1CCC1 ZINC000877622389 590376366 /nfs/dbraw/zinc/37/63/66/590376366.db2.gz MHLNTNACIVNQOI-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000877623721 590376987 /nfs/dbraw/zinc/37/69/87/590376987.db2.gz YHZLNBVXLYREMX-CHWSQXEVSA-N 1 0 246.358 2.457 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000877632130 590377888 /nfs/dbraw/zinc/37/78/88/590377888.db2.gz ZMRBSNFZPCRMMH-UONOGXRCSA-N 1 0 221.344 2.027 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCC12CCC2)C1CCOCC1 ZINC000877636198 590380586 /nfs/dbraw/zinc/38/05/86/590380586.db2.gz PRDVPOQRWFJWOP-ZIAGYGMSSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C1CCOCC1 ZINC000877636674 590380633 /nfs/dbraw/zinc/38/06/33/590380633.db2.gz APWOPTJHYGZICX-DLOVCJGASA-N 1 0 243.297 2.048 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]C2CSC2)cc1 ZINC000877635291 590380798 /nfs/dbraw/zinc/38/07/98/590380798.db2.gz LMFFTBHOCORGPE-UHFFFAOYSA-N 1 0 247.363 2.294 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1c(C)cccc1O ZINC000877640676 590381264 /nfs/dbraw/zinc/38/12/64/590381264.db2.gz DDALCTYRIISTOI-UHFFFAOYSA-N 1 0 247.338 2.172 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCOCc1ccccc1 ZINC000877639625 590381890 /nfs/dbraw/zinc/38/18/90/590381890.db2.gz DAFSYKNZBCUFPO-DZGCQCFKSA-N 1 0 249.354 2.118 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1SCCS1 ZINC000877638692 590382143 /nfs/dbraw/zinc/38/21/43/590382143.db2.gz LOMUCMDIIZIHMU-VIFPVBQESA-N 1 0 230.402 2.322 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@H](OC)[C@H](C)CC ZINC000877641105 590382515 /nfs/dbraw/zinc/38/25/15/590382515.db2.gz LZXWLYOJDNITCO-KGLIPLIRSA-N 1 0 241.375 2.019 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@H](OC)[C@@H](C)CC ZINC000877641104 590383402 /nfs/dbraw/zinc/38/34/02/590383402.db2.gz LZXWLYOJDNITCO-KBPBESRZSA-N 1 0 241.375 2.019 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](CC(C)C)OC ZINC000877660610 590386737 /nfs/dbraw/zinc/38/67/37/590386737.db2.gz OEAOSYXSNPSAAW-ZIAGYGMSSA-N 1 0 241.375 2.066 20 30 BEEDRO C=C(Cl)C[C@H](NCC(C)C)C(=O)OCC ZINC000877671707 590389071 /nfs/dbraw/zinc/38/90/71/590389071.db2.gz NICBGQNZAZRRNL-JTQLQIEISA-N 1 0 233.739 2.306 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000877681599 590390233 /nfs/dbraw/zinc/39/02/33/590390233.db2.gz INYPVXMITXXXGU-MJOYPGEDSA-N 1 0 246.354 2.082 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)o1 ZINC000877742090 590409079 /nfs/dbraw/zinc/40/90/79/590409079.db2.gz XLMPRVZKCWCSNC-QWRGUYRKSA-N 1 0 248.351 2.336 20 30 BEEDRO CC1(C)C[C@H](O)C[N@H+](Cc2cccc(C#N)c2)C1 ZINC000877753495 590416792 /nfs/dbraw/zinc/41/67/92/590416792.db2.gz QBMXVXBRRWDTRT-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000877753852 590417295 /nfs/dbraw/zinc/41/72/95/590417295.db2.gz NGVAURTZLHBSNI-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000877797179 590424934 /nfs/dbraw/zinc/42/49/34/590424934.db2.gz PSOLOYBXOGCADO-NSHDSACASA-N 1 0 248.326 2.134 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000877828105 590428874 /nfs/dbraw/zinc/42/88/74/590428874.db2.gz GJOGGQPTTLYHCL-JQWIXIFHSA-N 1 0 232.331 2.376 20 30 BEEDRO CC(C)(O)[C@H]1CC[N@@H+](CC(C)(C)CCC#N)C1 ZINC000877835713 590431654 /nfs/dbraw/zinc/43/16/54/590431654.db2.gz VMLXXRHBYBFUKM-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836487 590432030 /nfs/dbraw/zinc/43/20/30/590432030.db2.gz YNKRQBAWSQUSAV-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1conc1CN(C)Cc1cccc(C#N)c1 ZINC000877917314 590446290 /nfs/dbraw/zinc/44/62/90/590446290.db2.gz SSQSNCOBXJBOJI-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(Cc2ccccn2)CC1 ZINC000877925657 590449006 /nfs/dbraw/zinc/44/90/06/590449006.db2.gz CWFINIDXDSTNNP-CQSZACIVSA-N 1 0 245.370 2.164 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](CC)C1 ZINC000877927782 590449137 /nfs/dbraw/zinc/44/91/37/590449137.db2.gz DWARZSSVVQJAEM-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000877946182 590454353 /nfs/dbraw/zinc/45/43/53/590454353.db2.gz TZOPXOBGOMKCPJ-CYBMUJFWSA-N 1 0 246.354 2.479 20 30 BEEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC(CC)CC1 ZINC000877975369 590464337 /nfs/dbraw/zinc/46/43/37/590464337.db2.gz MDFIPXAPHOQXPN-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCN(CC(C)=O)[C@H]1CCc2ccccc21 ZINC000877991498 590467571 /nfs/dbraw/zinc/46/75/71/590467571.db2.gz QUHCKYHABVJLFF-HNNXBMFYSA-N 1 0 227.307 2.198 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@H](C)CC1 ZINC000878001986 590469437 /nfs/dbraw/zinc/46/94/37/590469437.db2.gz JUYNXQGMBMGVHA-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+](C)CC1CCCC1 ZINC000878013815 590471480 /nfs/dbraw/zinc/47/14/80/590471480.db2.gz DXTCJJRWNHPKHH-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCCN(C(=O)OCC)CC1 ZINC000878016945 590472364 /nfs/dbraw/zinc/47/23/64/590472364.db2.gz CBWVEHJCQYDXNC-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CC[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000878033026 590476345 /nfs/dbraw/zinc/47/63/45/590476345.db2.gz RIMJDPCJCZDRSH-LLVKDONJSA-N 1 0 207.321 2.207 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000878039962 590478250 /nfs/dbraw/zinc/47/82/50/590478250.db2.gz DPCRAHZHRAZAAG-CHWSQXEVSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCCN(C(C)C)CC1 ZINC000878046187 590480158 /nfs/dbraw/zinc/48/01/58/590480158.db2.gz SBGCYWIFYPMQGE-CYBMUJFWSA-N 1 0 210.365 2.367 20 30 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N#CCSCCC[N@H+]1CCC[C@@H](CF)C1 ZINC000880234189 590965180 /nfs/dbraw/zinc/96/51/80/590965180.db2.gz RDBSQTZVABLTDW-NSHDSACASA-N 1 0 230.352 2.315 20 30 BEEDRO COCC1([N@H+](C)CCCSCC#N)CCC1 ZINC000880187892 590955517 /nfs/dbraw/zinc/95/55/17/590955517.db2.gz QHUJQTKBMRQDFJ-UHFFFAOYSA-N 1 0 242.388 2.134 20 30 BEEDRO N#CCOc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000880294340 590988980 /nfs/dbraw/zinc/98/89/80/590988980.db2.gz UBNUVMSXPOASFJ-ZDUSSCGKSA-N 1 0 248.301 2.380 20 30 BEEDRO FC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000880297332 590990907 /nfs/dbraw/zinc/99/09/07/590990907.db2.gz MQDVLVSJSIHLLA-ZDUSSCGKSA-N 1 0 235.277 2.469 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](OC)(C(F)(F)F)C1 ZINC000880303933 590998570 /nfs/dbraw/zinc/99/85/70/590998570.db2.gz UCRQKVYIEUCQHZ-VIFPVBQESA-N 1 0 223.238 2.216 20 30 BEEDRO C=C(C)C[N@@H+]1CCc2cc(C(=O)OC)ccc2C1 ZINC000880350069 591009477 /nfs/dbraw/zinc/00/94/77/591009477.db2.gz UYNCDPZGAVQZTJ-UHFFFAOYSA-N 1 0 245.322 2.407 20 30 BEEDRO 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636669573 /nfs/dbraw/zinc/66/95/73/636669573.db2.gz NCXHQKOAQZPTLU-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO Cc1ccc(NCC[NH+]2CCCCC2)c(C#N)n1 ZINC000881809649 591272461 /nfs/dbraw/zinc/27/24/61/591272461.db2.gz ZHYWQGRMMUQCMK-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C=CC[C@H](SCC[NH+](CC)CC)C(=O)OC ZINC000882129218 591302908 /nfs/dbraw/zinc/30/29/08/591302908.db2.gz KNVGMYIXQOCQCN-NSHDSACASA-N 1 0 245.388 2.179 20 30 BEEDRO Cc1ccc(N[C@H](C)C[N@H+](C)C(C)C)c(C#N)n1 ZINC000882383650 591339544 /nfs/dbraw/zinc/33/95/44/591339544.db2.gz UMRUJNGACSACNF-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO Cc1ccc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(C#N)n1 ZINC000882543894 591389775 /nfs/dbraw/zinc/38/97/75/591389775.db2.gz MYTSJTDZLCCGLJ-TXEJJXNPSA-N 1 0 244.342 2.014 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000129787257 591395446 /nfs/dbraw/zinc/39/54/46/591395446.db2.gz VFIJAJBHALDJLY-VHSXEESVSA-N 1 0 203.713 2.144 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000129786842 591405213 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ZINC000883195066 591568702 /nfs/dbraw/zinc/56/87/02/591568702.db2.gz JZEJBRWTHHNEBT-OLZOCXBDSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1c[nH]nc1C)[C@@H]1CCCO1 ZINC000883205531 591573073 /nfs/dbraw/zinc/57/30/73/591573073.db2.gz YQGROCVLFGBCPD-KGLIPLIRSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cocn1)[C@H]1CCCO1 ZINC000883211747 591575439 /nfs/dbraw/zinc/57/54/39/591575439.db2.gz UYEHKNCHHJDDBB-QWHCGFSZSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)OC)[C@H]1CCCO1 ZINC000883218112 591576200 /nfs/dbraw/zinc/57/62/00/591576200.db2.gz UPDOQFSWFUZNAN-FRRDWIJNSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCCO1 ZINC000883223655 591577956 /nfs/dbraw/zinc/57/79/56/591577956.db2.gz UNAGROGHCYVZTA-MCIONIFRSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCC[C@H]1O)[C@@H]1CCCO1 ZINC000883227916 591578644 /nfs/dbraw/zinc/57/86/44/591578644.db2.gz AWWIKCJNGRLGPP-RQJABVFESA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@H]1CCCO1 ZINC000883229436 591579746 /nfs/dbraw/zinc/57/97/46/591579746.db2.gz JOURWXSFJQUIBO-IGQOVBAYSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ncccn1)[C@H]1CCCO1 ZINC000883235433 591582924 /nfs/dbraw/zinc/58/29/24/591582924.db2.gz CBKFLLPNXMDMRV-CHWSQXEVSA-N 1 0 247.342 2.080 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000883247326 591588026 /nfs/dbraw/zinc/58/80/26/591588026.db2.gz GSWNDJZQIWRXJQ-MNOVXSKESA-N 1 0 235.356 2.358 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccc(OCC#N)cc1 ZINC000131307917 591589974 /nfs/dbraw/zinc/58/99/74/591589974.db2.gz PUQYTQFYGZRZQL-AAEUAGOBSA-N 1 0 246.310 2.028 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccccc1O ZINC000131387002 591605969 /nfs/dbraw/zinc/60/59/69/591605969.db2.gz YORZJEBZEZZERX-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCN1CC)C1CC1 ZINC000883355389 591626242 /nfs/dbraw/zinc/62/62/42/591626242.db2.gz PRUWVEKQQGPWBW-ZIAGYGMSSA-N 1 0 222.376 2.415 20 30 BEEDRO C#CC1(NCc2ncc(C)s2)CCCC1 ZINC000883361752 591630103 /nfs/dbraw/zinc/63/01/03/591630103.db2.gz KUXMAHYXWVSNQY-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(OC)nc2)CCCC1 ZINC000883363075 591631936 /nfs/dbraw/zinc/63/19/36/591631936.db2.gz VKZTXRGMUZOQFI-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CC1CCOCC1 ZINC000883390666 591637334 /nfs/dbraw/zinc/63/73/34/591637334.db2.gz RBTCXBOVDZGYRW-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCC12CCC2 ZINC000883391354 591638184 /nfs/dbraw/zinc/63/81/84/591638184.db2.gz IOFLUTGLESIRPS-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccco1 ZINC000883389352 591640510 /nfs/dbraw/zinc/64/05/10/591640510.db2.gz OYJIEXPHVHUEKI-MNOVXSKESA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000883390278 591641079 /nfs/dbraw/zinc/64/10/79/591641079.db2.gz IXFGVRYTTSIDAO-AAEUAGOBSA-N 1 0 249.358 2.071 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cnccc1C ZINC000883390066 591641087 /nfs/dbraw/zinc/64/10/87/591641087.db2.gz FBLOUVNUFOATKR-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000883390260 591641510 /nfs/dbraw/zinc/64/15/10/591641510.db2.gz IRIDDLMBNUVSJD-NEPJUHHUSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000883390586 591642649 /nfs/dbraw/zinc/64/26/49/591642649.db2.gz PLMZKVSXEOUIDW-PWSUYJOCSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C1CCCC1 ZINC000883391018 591643001 /nfs/dbraw/zinc/64/30/01/591643001.db2.gz ZRDYZNKNLXHHGS-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CC1CCOCC1 ZINC000883390665 591643017 /nfs/dbraw/zinc/64/30/17/591643017.db2.gz RBTCXBOVDZGYRW-OCCSQVGLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000883391149 591643101 /nfs/dbraw/zinc/64/31/01/591643101.db2.gz DHUOQQAOSCPRMR-GXTWGEPZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C1CCCC1 ZINC000883391020 591643160 /nfs/dbraw/zinc/64/31/60/591643160.db2.gz ZRDYZNKNLXHHGS-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000883392119 591643385 /nfs/dbraw/zinc/64/33/85/591643385.db2.gz APCHBBHOEXMFQV-QWHCGFSZSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000883391350 591643781 /nfs/dbraw/zinc/64/37/81/591643781.db2.gz INFFLQPFFVEEDQ-QWHCGFSZSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCCc2cccnc21 ZINC000883391503 591643831 /nfs/dbraw/zinc/64/38/31/591643831.db2.gz MAUVNNJDPJHUHX-KBPBESRZSA-N 1 0 246.354 2.376 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCC(COC)CC1 ZINC000883392182 591643994 /nfs/dbraw/zinc/64/39/94/591643994.db2.gz BPXYQZOARCRQRX-RUXDESIVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000883391427 591644071 /nfs/dbraw/zinc/64/40/71/591644071.db2.gz KAZWVWDOBJUHMJ-LOWDOPEQSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc2cnccc2o1 ZINC000883399420 591646091 /nfs/dbraw/zinc/64/60/91/591646091.db2.gz LSILPQHGYIGJTQ-GFCCVEGCSA-N 1 0 246.310 2.245 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883400020 591646661 /nfs/dbraw/zinc/64/66/61/591646661.db2.gz BONBSRYTEHHLAR-HNNXBMFYSA-N 1 0 244.338 2.283 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000883400813 591647084 /nfs/dbraw/zinc/64/70/84/591647084.db2.gz VWDQFVPRWIDYHX-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C)cc1OC ZINC000883400850 591647572 /nfs/dbraw/zinc/64/75/72/591647572.db2.gz WSKYRJSIQNCQBP-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1 ZINC000883401651 591648374 /nfs/dbraw/zinc/64/83/74/591648374.db2.gz UDVLWSJMBINSNT-NSHDSACASA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1sccc1OC ZINC000883400527 591647784 /nfs/dbraw/zinc/64/77/84/591647784.db2.gz OZWAWPDUTNKZGP-SNVBAGLBSA-N 1 0 241.356 2.173 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000883400810 591648003 /nfs/dbraw/zinc/64/80/03/591648003.db2.gz VWDQFVPRWIDYHX-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccnc1Cl ZINC000883401447 591648786 /nfs/dbraw/zinc/64/87/86/591648786.db2.gz MZLLKFCXHONJHP-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000883401700 591649047 /nfs/dbraw/zinc/64/90/47/591649047.db2.gz VMCMPHWUWFTDGH-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000883439002 591666831 /nfs/dbraw/zinc/66/68/31/591666831.db2.gz GWJCWZZPWVOLMN-LLVKDONJSA-N 1 0 232.327 2.428 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000132341134 591702047 /nfs/dbraw/zinc/70/20/47/591702047.db2.gz XBRGPLWYMFBYKG-DFBGVHRSSA-N 1 0 244.338 2.370 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000132567305 591720188 /nfs/dbraw/zinc/72/01/88/591720188.db2.gz OENMVWRZCOXURD-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000884019304 591801504 /nfs/dbraw/zinc/80/15/04/591801504.db2.gz PWBZLNQVINYGCO-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000884035748 591817260 /nfs/dbraw/zinc/81/72/60/591817260.db2.gz FWGOJFKQUFSCBK-CYBMUJFWSA-N 1 0 226.364 2.078 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000800221008 591842081 /nfs/dbraw/zinc/84/20/81/591842081.db2.gz GJYNMHPZIYOEHB-GFCCVEGCSA-N 1 0 232.327 2.461 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCCCCO)c1 ZINC000133609249 591842594 /nfs/dbraw/zinc/84/25/94/591842594.db2.gz JTPKGJSXZPCZTH-UHFFFAOYSA-N 1 0 238.356 2.262 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000884300838 591899143 /nfs/dbraw/zinc/89/91/43/591899143.db2.gz IVGGGBJUJWGZEO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000884338584 591905924 /nfs/dbraw/zinc/90/59/24/591905924.db2.gz MORUWOIXZSNFQB-JTQLQIEISA-N 1 0 226.364 2.078 20 30 BEEDRO CC(=[NH+]NCC(F)F)c1c(C)cc(N)cc1C ZINC000884432220 591932697 /nfs/dbraw/zinc/93/26/97/591932697.db2.gz XLQRGUWVMQCMQY-UHFFFAOYSA-N 1 0 241.285 2.464 20 30 BEEDRO C[C@H]1CNC(NN=C2CC(C)(C)CC[C@@H]2C)=[NH+]1 ZINC000884448095 591937238 /nfs/dbraw/zinc/93/72/38/591937238.db2.gz RIMPAHNZPAOOAA-UWVGGRQHSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCO[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884471063 591943573 /nfs/dbraw/zinc/94/35/73/591943573.db2.gz KKCFRSKCLDLSPT-UHFFFAOYSA-N 1 0 216.284 2.259 20 30 BEEDRO CSCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135486785 592014964 /nfs/dbraw/zinc/01/49/64/592014964.db2.gz GQWLYFZQEAQDDX-SECBINFHSA-N 1 0 224.329 2.382 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2CCC2)o1 ZINC000135505167 592015322 /nfs/dbraw/zinc/01/53/22/592015322.db2.gz NJROZLRNNBNUPH-UHFFFAOYSA-N 1 0 204.273 2.431 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885931607 592110089 /nfs/dbraw/zinc/11/00/89/592110089.db2.gz WLNUJOCZLQSDIG-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)[C@@H](C)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885942456 592112237 /nfs/dbraw/zinc/11/22/37/592112237.db2.gz OYJLOJNAMBIQFH-OLZOCXBDSA-N 1 0 238.375 2.408 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC000885945091 592112607 /nfs/dbraw/zinc/11/26/07/592112607.db2.gz ZRLAKBGRKJNBAH-CYBMUJFWSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H](O)CC1(C#N)CCC1 ZINC000885954515 592114916 /nfs/dbraw/zinc/11/49/16/592114916.db2.gz ZWGXKYOXIPAFLV-CYBMUJFWSA-N 1 0 234.343 2.105 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C(C)C ZINC000885959664 592115697 /nfs/dbraw/zinc/11/56/97/592115697.db2.gz ATBYERGDDAFHEX-ZDUSSCGKSA-N 1 0 236.359 2.328 20 30 BEEDRO C#CC[N@H+](CC)CCOC1CCCCC1 ZINC000886033030 592137204 /nfs/dbraw/zinc/13/72/04/592137204.db2.gz QUQLAQUVSIFNPA-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO COc1cc(C)cc(C[NH2+]CCCC#N)c1OC ZINC000886059745 592142085 /nfs/dbraw/zinc/14/20/85/592142085.db2.gz KVLXYTZMELGQPK-UHFFFAOYSA-N 1 0 248.326 2.406 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1[nH]nc(C)c1C ZINC000886131519 592157461 /nfs/dbraw/zinc/15/74/61/592157461.db2.gz ARCJXUWWULMCFH-UHFFFAOYSA-N 1 0 207.321 2.328 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1[nH]nc(C)c1C ZINC000886105072 592155604 /nfs/dbraw/zinc/15/56/04/592155604.db2.gz REHZYPZPWHWCFB-OCCSQVGLSA-N 1 0 249.358 2.097 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H]1CC[C@@H](C2CC2)O1 ZINC000886116339 592157231 /nfs/dbraw/zinc/15/72/31/592157231.db2.gz GIQNGQFGZAZZNQ-OLZOCXBDSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886116340 592157308 /nfs/dbraw/zinc/15/73/08/592157308.db2.gz GIQNGQFGZAZZNQ-QWHCGFSZSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)co1 ZINC000886134491 592160973 /nfs/dbraw/zinc/16/09/73/592160973.db2.gz ULAHVXOLPAVXNK-NEPJUHHUSA-N 1 0 207.273 2.021 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886164451 592166835 /nfs/dbraw/zinc/16/68/35/592166835.db2.gz LNDITXPRUOIFFN-QWHCGFSZSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886164449 592166961 /nfs/dbraw/zinc/16/69/61/592166961.db2.gz LNDITXPRUOIFFN-CHWSQXEVSA-N 1 0 209.333 2.452 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000886173056 592169798 /nfs/dbraw/zinc/16/97/98/592169798.db2.gz DXAVXCILIOOAOS-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886176693 592170177 /nfs/dbraw/zinc/17/01/77/592170177.db2.gz JETYPUCUSFYBNK-KGLIPLIRSA-N 1 0 248.370 2.472 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2[nH]nc(C)c2C)CC1 ZINC000886185740 592171482 /nfs/dbraw/zinc/17/14/82/592171482.db2.gz FZHCCPMINYSYIJ-JOCQHMNTSA-N 1 0 231.343 2.308 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)cn1 ZINC000886188333 592172674 /nfs/dbraw/zinc/17/26/74/592172674.db2.gz PULIQRUHYNOKMI-GFCCVEGCSA-N 1 0 240.734 2.152 20 30 BEEDRO CC1=CCC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886186222 592172839 /nfs/dbraw/zinc/17/28/39/592172839.db2.gz SOGCDUQPSPXLDK-CYBMUJFWSA-N 1 0 234.343 2.083 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC000886213302 592178282 /nfs/dbraw/zinc/17/82/82/592178282.db2.gz PUPCOXDPVPEKJM-MRXNPFEDSA-N 1 0 242.366 2.182 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000886213175 592178538 /nfs/dbraw/zinc/17/85/38/592178538.db2.gz NKVYJPYPVMSHBD-ZDUSSCGKSA-N 1 0 248.395 2.244 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCSC(F)(F)F ZINC000886232073 592181827 /nfs/dbraw/zinc/18/18/27/592181827.db2.gz PNHWWEISRBTEOE-SFYZADRCSA-N 1 0 241.278 2.173 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000886243418 592184825 /nfs/dbraw/zinc/18/48/25/592184825.db2.gz YLUASQLUSQNNHB-ZOBORPQBSA-N 1 0 248.370 2.209 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886271106 592191681 /nfs/dbraw/zinc/19/16/81/592191681.db2.gz XMXRMNSAXXWDJT-SNPRPXQTSA-N 1 0 233.355 2.289 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000886271108 592192031 /nfs/dbraw/zinc/19/20/31/592192031.db2.gz XMXRMNSAXXWDJT-YUELXQCFSA-N 1 0 233.355 2.289 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@](C)(O)C(F)F)C1 ZINC000886277052 592196786 /nfs/dbraw/zinc/19/67/86/592196786.db2.gz FNZFVIGYIZEQOE-PWSUYJOCSA-N 1 0 233.302 2.291 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886280330 592198099 /nfs/dbraw/zinc/19/80/99/592198099.db2.gz COEZVALRDKOWNI-QWHCGFSZSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CCC1(O)CC[NH+](CC[C@@H]2C[C@H]2C2CC2)CC1 ZINC000886317824 592207314 /nfs/dbraw/zinc/20/73/14/592207314.db2.gz BOIOVOFXWMHTHP-CABCVRRESA-N 1 0 247.382 2.273 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000886357686 592215967 /nfs/dbraw/zinc/21/59/67/592215967.db2.gz KILRZIGBNQTKAD-GOEBONIOSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCCCCCO)C1 ZINC000886357391 592216076 /nfs/dbraw/zinc/21/60/76/592216076.db2.gz GHISMBRJJDKLDD-AWEZNQCLSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC2(O)CCCCC2)C1 ZINC000886357411 592216106 /nfs/dbraw/zinc/21/61/06/592216106.db2.gz GMCRTCBVDWWKNJ-CYBMUJFWSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)OC(C)(C)C)C1 ZINC000886358417 592216736 /nfs/dbraw/zinc/21/67/36/592216736.db2.gz UQLNPXQINSTWEO-NEPJUHHUSA-N 1 0 237.343 2.062 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)OC(C)(C)C)C1 ZINC000886358419 592217056 /nfs/dbraw/zinc/21/70/56/592217056.db2.gz UQLNPXQINSTWEO-RYUDHWBXSA-N 1 0 237.343 2.062 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000886365302 592219260 /nfs/dbraw/zinc/21/92/60/592219260.db2.gz FPYFQBAHUHCQMY-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2nc3c(o2)CCCC3)C1 ZINC000886365129 592219945 /nfs/dbraw/zinc/21/99/45/592219945.db2.gz ALVAQBJHIBAWLW-GFCCVEGCSA-N 1 0 244.338 2.399 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cncc(C(=O)OC)c1 ZINC000886539063 592252819 /nfs/dbraw/zinc/25/28/19/592252819.db2.gz 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631862210 /nfs/dbraw/zinc/86/22/10/631862210.db2.gz OFLYXSYNRWAQNK-CABCVRRESA-N 1 0 242.322 2.242 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCCCCOC ZINC000934512129 631894301 /nfs/dbraw/zinc/89/43/01/631894301.db2.gz ZMGAWUFDIAAFNB-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000934514759 631897930 /nfs/dbraw/zinc/89/79/30/631897930.db2.gz LQSBJLIVCJIVTE-AWEZNQCLSA-N 1 0 243.354 2.135 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1CCc1ccns1 ZINC000934520196 631900583 /nfs/dbraw/zinc/90/05/83/631900583.db2.gz YESYRCXFSQLZFL-LLVKDONJSA-N 1 0 220.341 2.173 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC000972275188 631914391 /nfs/dbraw/zinc/91/43/91/631914391.db2.gz JZHQSDXFPNNUFB-CYBMUJFWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(CC)C[NH2+][C@](C)(CC)CC(=O)OC ZINC000309160779 631923567 /nfs/dbraw/zinc/92/35/67/631923567.db2.gz YXBMQODEECLJKD-GFCCVEGCSA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934574970 631946269 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632412814 /nfs/dbraw/zinc/41/28/14/632412814.db2.gz OJLMESVQFHJGOB-NDBYEHHHSA-N 1 0 236.359 2.329 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)C(C)C ZINC000935026294 632420026 /nfs/dbraw/zinc/42/00/26/632420026.db2.gz SKTUCJNDJCUZBX-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926525518 632439529 /nfs/dbraw/zinc/43/95/29/632439529.db2.gz KGHHPRTYSVVXHO-QKCSRTOESA-N 1 0 248.326 2.084 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000926544407 632472570 /nfs/dbraw/zinc/47/25/70/632472570.db2.gz BDVLORGMQSLCGH-MJBXVCDLSA-N 1 0 243.391 2.233 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2COC[C@H]2CC)c1 ZINC000926550516 632484029 /nfs/dbraw/zinc/48/40/29/632484029.db2.gz NCAZHFBMIQZGKI-HUUCEWRRSA-N 1 0 229.323 2.183 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCCC1(C)C ZINC000309089002 632634998 /nfs/dbraw/zinc/63/49/98/632634998.db2.gz AJJCYUKDURRYBH-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(CC)C[NH2+][C@@](C)(CC)CC(=O)OC ZINC000309160780 632652188 /nfs/dbraw/zinc/65/21/88/632652188.db2.gz YXBMQODEECLJKD-LBPRGKRZSA-N 1 0 213.321 2.274 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000309164112 632656928 /nfs/dbraw/zinc/65/69/28/632656928.db2.gz IEEYLKGJUWEXKD-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO N#CC1CC[NH+](CCOCc2ccccc2)CC1 ZINC000309870986 632676749 /nfs/dbraw/zinc/67/67/49/632676749.db2.gz GTHOZCAFAVFWCS-UHFFFAOYSA-N 1 0 244.338 2.439 20 30 BEEDRO C=CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000926686360 632821257 /nfs/dbraw/zinc/82/12/57/632821257.db2.gz VADCJSPFCUOJHO-ZDUSSCGKSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926686399 632821464 /nfs/dbraw/zinc/82/14/64/632821464.db2.gz WAFSUHNATJIIJY-OLZOCXBDSA-N 1 0 211.349 2.483 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(OC)cc1F ZINC000229832606 632992606 /nfs/dbraw/zinc/99/26/06/632992606.db2.gz NWTIGBACLDPQAZ-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000310852755 633011431 /nfs/dbraw/zinc/01/14/31/633011431.db2.gz RSCMFDHORBCMAL-HIFRSBDPSA-N 1 0 244.338 2.405 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(C)=O ZINC001025179289 633073415 /nfs/dbraw/zinc/07/34/15/633073415.db2.gz MARCKWIKUNCQGJ-KGLIPLIRSA-N 1 0 236.359 2.038 20 30 BEEDRO CC(C)=CC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000229114693 635898952 /nfs/dbraw/zinc/89/89/52/635898952.db2.gz GGGXUWZIFMUTKX-AWEZNQCLSA-N 1 0 230.311 2.147 20 30 BEEDRO C#CCSCC[NH2+][C@@H](COC)C1CCCC1 ZINC000309450263 633082547 /nfs/dbraw/zinc/08/25/47/633082547.db2.gz KXHIEYUFJCKFMC-ZDUSSCGKSA-N 1 0 241.400 2.148 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2onc(C)c2c1)C(C)C ZINC000894738695 635919281 /nfs/dbraw/zinc/91/92/81/635919281.db2.gz XIVGAOOKTIDXIW-ZDUSSCGKSA-N 1 0 243.310 2.279 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2oc(=O)oc2c1)C(C)C ZINC000894738320 635919464 /nfs/dbraw/zinc/91/94/64/635919464.db2.gz QZVGZMSXYOBFJM-LLVKDONJSA-N 1 0 245.278 2.133 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2onc(C)c2c1)C(C)C ZINC000894738694 635919818 /nfs/dbraw/zinc/91/98/18/635919818.db2.gz XIVGAOOKTIDXIW-CYBMUJFWSA-N 1 0 243.310 2.279 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000926839952 633206712 /nfs/dbraw/zinc/20/67/12/633206712.db2.gz OJKWPKZKXJZMLX-LPWJVIDDSA-N 1 0 244.342 2.066 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCc2ccccc21)NC1CC1 ZINC000171801539 633211911 /nfs/dbraw/zinc/21/19/11/633211911.db2.gz UDLDETPXRSRNOC-LBPRGKRZSA-N 1 0 243.354 2.044 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1CCC(OC)CC1 ZINC000894768775 635923710 /nfs/dbraw/zinc/92/37/10/635923710.db2.gz FMOKFFGJQLWNPY-ROKHWSDSSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)CC1CCCCC1 ZINC000304263507 635939508 /nfs/dbraw/zinc/93/95/08/635939508.db2.gz UINXESBYGWXODV-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CC1(Cl)Cl ZINC000307619474 635991256 /nfs/dbraw/zinc/99/12/56/635991256.db2.gz XXJBTYBRUSHTFV-YUMQZZPRSA-N 1 0 206.116 2.134 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252736797 636033140 /nfs/dbraw/zinc/03/31/40/636033140.db2.gz ABWIWOQMALBSIV-ILWJIGKKSA-N 1 0 248.164 2.441 20 30 BEEDRO C#CC1CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC000895116948 636063989 /nfs/dbraw/zinc/06/39/89/636063989.db2.gz XESDBRFLHRVISS-UHFFFAOYSA-N 1 0 243.354 2.143 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183825512 636054325 /nfs/dbraw/zinc/05/43/25/636054325.db2.gz KEEJTAPYUDUMEL-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO C#CC[N@H+]1CCN(c2ccccc2)C[C@H]1CC ZINC000184013209 636055997 /nfs/dbraw/zinc/05/59/97/636055997.db2.gz QJFIWLQIGBNKRE-CQSZACIVSA-N 1 0 228.339 2.220 20 30 BEEDRO C#CCCC[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000163155279 636057087 /nfs/dbraw/zinc/05/70/87/636057087.db2.gz VCRLJTWCVLVGAM-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000320146861 636116727 /nfs/dbraw/zinc/11/67/27/636116727.db2.gz CGJUAYQQGZKSJS-FVCCEPFGSA-N 1 0 209.333 2.092 20 30 BEEDRO CCC1(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000233046495 636119633 /nfs/dbraw/zinc/11/96/33/636119633.db2.gz OGECWRXSLKBQNJ-AWEZNQCLSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000320194445 636129857 /nfs/dbraw/zinc/12/98/57/636129857.db2.gz BSAMOCTWDWVWFT-QWHCGFSZSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926866539 633734991 /nfs/dbraw/zinc/73/49/91/633734991.db2.gz XWOXUULIIKFFHS-VXGBXAGGSA-N 1 0 224.348 2.231 20 30 BEEDRO N#Cc1ccc(NC[C@H]2CC[NH2+]C2)cc1Cl ZINC000087655270 636136764 /nfs/dbraw/zinc/13/67/64/636136764.db2.gz MCQKQUYUDJNIAU-VIFPVBQESA-N 1 0 235.718 2.233 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccccc1C ZINC000328223875 633743064 /nfs/dbraw/zinc/74/30/64/633743064.db2.gz AXTNGIKAEUMBOW-UHFFFAOYSA-N 1 0 230.355 2.040 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1cccc(C)c1 ZINC000328235546 633747591 /nfs/dbraw/zinc/74/75/91/633747591.db2.gz FTOZYQFBIIOUIP-UHFFFAOYSA-N 1 0 230.355 2.040 20 30 BEEDRO C#CCC[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000309801862 633756169 /nfs/dbraw/zinc/75/61/69/633756169.db2.gz RIFXTGKTJDKPSN-JSGCOSHPSA-N 1 0 223.360 2.177 20 30 BEEDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1(C#N)CC1 ZINC000926873306 633757031 /nfs/dbraw/zinc/75/70/31/633757031.db2.gz FJGCRHAPMWMZBG-NEPJUHHUSA-N 1 0 224.348 2.209 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@H]2CCCO)CC1 ZINC000926874579 633761791 /nfs/dbraw/zinc/76/17/91/633761791.db2.gz RENGMZGMHCCFFR-QWHCGFSZSA-N 1 0 236.359 2.211 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@@H]1CCCO1 ZINC000309807550 633763050 /nfs/dbraw/zinc/76/30/50/633763050.db2.gz SODDFBHFBMPQHO-MQYQWHSLSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000309812106 633769291 /nfs/dbraw/zinc/76/92/91/633769291.db2.gz ZJWOOEPICFDDLG-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCC[C@H]1OC ZINC000308649190 633784288 /nfs/dbraw/zinc/78/42/88/633784288.db2.gz IZSKFWLYQSIIIY-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO CSCC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308740210 633809123 /nfs/dbraw/zinc/80/91/23/633809123.db2.gz OGCMAFMLTGFMKS-GARJFASQSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000308777171 633815164 /nfs/dbraw/zinc/81/51/64/633815164.db2.gz AXPDDZVHEJNHRR-BDAKNGLRSA-N 1 0 223.238 2.262 20 30 BEEDRO Cc1ccc(O)c(C[NH2+]CC2(C#N)CC2)c1 ZINC000309846293 633835986 /nfs/dbraw/zinc/83/59/86/633835986.db2.gz GTJFPICPPITCEA-UHFFFAOYSA-N 1 0 216.284 2.094 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)C1CC1 ZINC000309213535 633863544 /nfs/dbraw/zinc/86/35/44/633863544.db2.gz TWQPPXXKTGEVJD-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO CC#CC[N@H+](C)CCSc1ccncc1 ZINC000930589690 633914172 /nfs/dbraw/zinc/91/41/72/633914172.db2.gz MSNAILNFJCNKGR-UHFFFAOYSA-N 1 0 220.341 2.129 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000309720195 633997768 /nfs/dbraw/zinc/99/77/68/633997768.db2.gz BNSQJOREQDYBDZ-MNOVXSKESA-N 1 0 227.348 2.328 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000895490435 636151539 /nfs/dbraw/zinc/15/15/39/636151539.db2.gz OPKYKIPXLSFPHY-SYQHCUMBSA-N 1 0 223.360 2.175 20 30 BEEDRO C[N@H+](Cc1csc(C#N)c1)CC1(C)COC1 ZINC000895580871 636162199 /nfs/dbraw/zinc/16/21/99/636162199.db2.gz KJMRSKJAJUGMPW-UHFFFAOYSA-N 1 0 236.340 2.088 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)COC(C)=O ZINC000893304520 634127313 /nfs/dbraw/zinc/12/73/13/634127313.db2.gz MSBZFVVEZIBOHY-QWRGUYRKSA-N 1 0 213.321 2.272 20 30 BEEDRO N#Cc1cncc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)c1 ZINC000930865796 634143943 /nfs/dbraw/zinc/14/39/43/634143943.db2.gz GSOWNLNUMVSFTJ-GFCCVEGCSA-N 1 0 249.264 2.184 20 30 BEEDRO COC1(CC[N@@H+]2CCC[C@H](C#N)C2)CCC1 ZINC000310471794 634152660 /nfs/dbraw/zinc/15/26/60/634152660.db2.gz IQJCSUYJMGTLOT-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)COCCN[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925617227 634167862 /nfs/dbraw/zinc/16/78/62/634167862.db2.gz BVLPXNPYUBDJHM-UKRRQHHQSA-N 1 0 248.370 2.257 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(C2CC2)cc1 ZINC000191161622 634204443 /nfs/dbraw/zinc/20/44/43/634204443.db2.gz ROAYJBAIPNWZKY-UHFFFAOYSA-N 1 0 231.343 2.378 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)CC1 ZINC000931060264 634207632 /nfs/dbraw/zinc/20/76/32/634207632.db2.gz SFZAQKALERZBDL-NEXFUWMNSA-N 1 0 248.370 2.285 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000162628506 634236889 /nfs/dbraw/zinc/23/68/89/634236889.db2.gz IYOBINHYTLYUGJ-ZBFHGGJFSA-N 1 0 242.366 2.262 20 30 BEEDRO C[NH+]=C(NCc1ccccc1)NC(C)(C)C ZINC000103895096 634242359 /nfs/dbraw/zinc/24/23/59/634242359.db2.gz IIXZPXFRRVUFRR-UHFFFAOYSA-N 1 0 219.332 2.150 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000931332444 634358947 /nfs/dbraw/zinc/35/89/47/634358947.db2.gz FQLPPCHAUHQMNU-RRFJBIMHSA-N 1 0 235.371 2.415 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000893606422 635228155 /nfs/dbraw/zinc/22/81/55/635228155.db2.gz PCUHLMBRFYVCKB-BBMNEWJDSA-N 1 0 234.343 2.082 20 30 BEEDRO N#CC1(C[NH2+]CCc2ccc(F)c(F)c2)CC1 ZINC000259034280 635234090 /nfs/dbraw/zinc/23/40/90/635234090.db2.gz ZXGXAVVJWWRYGO-UHFFFAOYSA-N 1 0 236.265 2.401 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC=CC2)C1 ZINC000980980433 635308345 /nfs/dbraw/zinc/30/83/45/635308345.db2.gz PFUHPZSNRJWJIU-KBPBESRZSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C=C2CCC2)C1 ZINC000981008739 635308658 /nfs/dbraw/zinc/30/86/58/635308658.db2.gz BMXUZQZEDKXNEL-UONOGXRCSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC000981004514 635309489 /nfs/dbraw/zinc/30/94/89/635309489.db2.gz YZOAIWVTLCVNGJ-ZIAGYGMSSA-N 1 0 248.370 2.300 20 30 BEEDRO C[C@H](c1ccncc1)[NH+]1CCC(C#N)CC1 ZINC000260199850 635310330 /nfs/dbraw/zinc/31/03/30/635310330.db2.gz VJBVHOCCTAWELX-LLVKDONJSA-N 1 0 215.300 2.378 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000981475810 635363961 /nfs/dbraw/zinc/36/39/61/635363961.db2.gz NRBTWLARWWWJKE-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@H+]1CCCC2(CN(C(=O)C=C(C)C)C2)C1 ZINC000981592535 635377107 /nfs/dbraw/zinc/37/71/07/635377107.db2.gz ANBFXRQREKHCFE-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000335008304 635865901 /nfs/dbraw/zinc/86/59/01/635865901.db2.gz SBBXMXCIOPDBOT-WCQYABFASA-N 1 0 216.328 2.493 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CCCO1 ZINC000883188571 636179602 /nfs/dbraw/zinc/17/96/02/636179602.db2.gz MJPGVQOLGWXADX-STQMWFEESA-N 1 0 239.359 2.005 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCC12CCC2 ZINC000320334072 636226413 /nfs/dbraw/zinc/22/64/13/636226413.db2.gz ZVTGQLIPJMODHI-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO CCCNC(=[NH2+])NCCc1c(C)cc(C)cc1C ZINC000303907609 636317118 /nfs/dbraw/zinc/31/71/18/636317118.db2.gz WZGICYBSBWQUEI-UHFFFAOYSA-N 1 0 247.386 2.469 20 30 BEEDRO COc1cccc2cc(CNCCC#N)oc21 ZINC000035009896 636365751 /nfs/dbraw/zinc/36/57/51/636365751.db2.gz FEUBXCHHLYJTJC-UHFFFAOYSA-N 1 0 230.267 2.445 20 30 BEEDRO 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N#CCCC[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930569042 639811884 /nfs/dbraw/zinc/81/18/84/639811884.db2.gz LIJVDDJCPMIPHV-CYBMUJFWSA-N 1 0 247.298 2.288 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1Cc1c(C)cc(C#N)cc1C ZINC000930568806 639812015 /nfs/dbraw/zinc/81/20/15/639812015.db2.gz BUDFWICBDBGDRU-AWEZNQCLSA-N 1 0 244.338 2.396 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)c1cccc(C2CC2)c1 ZINC000930595394 639815599 /nfs/dbraw/zinc/81/55/99/639815599.db2.gz WZYCPXZVRZSBKR-IAQYHMDHSA-N 1 0 244.338 2.489 20 30 BEEDRO CCC[C@H]([NH2+]C[C@H](O)CC#N)C(C)(C)C ZINC000930623617 639828962 /nfs/dbraw/zinc/82/89/62/639828962.db2.gz RJIFNMXQWSWUAD-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCC(C)(F)F ZINC000930637305 639835981 /nfs/dbraw/zinc/83/59/81/639835981.db2.gz CUNFDRORMRYXJR-ZJUUUORDSA-N 1 0 219.275 2.355 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000911819276 639836629 /nfs/dbraw/zinc/83/66/29/639836629.db2.gz OTEDJJNHSVHXIQ-VXGBXAGGSA-N 1 0 226.364 2.078 20 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245.326 2.000 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000911917916 639878319 /nfs/dbraw/zinc/87/83/19/639878319.db2.gz XNOLLJIDFFYVDK-AVGNSLFASA-N 1 0 238.375 2.460 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@](C)(C[NH3+])CC(C)C ZINC000911920048 639878757 /nfs/dbraw/zinc/87/87/57/639878757.db2.gz REHUBGFGKNFRIM-CQSZACIVSA-N 1 0 238.375 2.198 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(OC)c1 ZINC000911904194 639885218 /nfs/dbraw/zinc/88/52/18/639885218.db2.gz PSYNSESSQWTMIL-CYBMUJFWSA-N 1 0 248.326 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccccc1OC ZINC000911904559 639885405 /nfs/dbraw/zinc/88/54/05/639885405.db2.gz XJHRMAKRVYTUNG-NSHDSACASA-N 1 0 248.326 2.317 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000911903696 639885469 /nfs/dbraw/zinc/88/54/69/639885469.db2.gz GSHNLXYTKVUXON-GFCCVEGCSA-N 1 0 236.290 2.448 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)cc1 ZINC000911903697 639886336 /nfs/dbraw/zinc/88/63/36/639886336.db2.gz GSHNLXYTKVUXON-LBPRGKRZSA-N 1 0 236.290 2.448 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000911959218 639905349 /nfs/dbraw/zinc/90/53/49/639905349.db2.gz DFFKBSWDJORWSI-CYBMUJFWSA-N 1 0 238.375 2.463 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2[nH]c(C)nc2C)C1 ZINC000930815306 639915751 /nfs/dbraw/zinc/91/57/51/639915751.db2.gz CCGYQCHMHVIYIQ-CYBMUJFWSA-N 1 0 231.343 2.262 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000930816488 639918132 /nfs/dbraw/zinc/91/81/32/639918132.db2.gz MHNKVYDWOPQUBS-GFCCVEGCSA-N 1 0 234.368 2.421 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C/C=C(/C)COC)C1 ZINC000930817291 639919409 /nfs/dbraw/zinc/91/94/09/639919409.db2.gz VFXHNGRYMCWTFJ-YLHGKKIISA-N 1 0 221.344 2.314 20 30 BEEDRO C=CCCCCCNC(=O)C(=C)CC[NH+](C)C ZINC000912048902 639935892 /nfs/dbraw/zinc/93/58/92/639935892.db2.gz LOCHBLGJHWDHLB-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)[C@H](C)CCO ZINC000930864633 639957198 /nfs/dbraw/zinc/95/71/98/639957198.db2.gz YAYTYFIUXIQAKP-CYBMUJFWSA-N 1 0 246.354 2.378 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnc(CC)o2)C1 ZINC000930884606 639970435 /nfs/dbraw/zinc/97/04/35/639970435.db2.gz GKCUDKODTUTHOO-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000930887454 639972804 /nfs/dbraw/zinc/97/28/04/639972804.db2.gz XUGFBWDJBWEVMX-LLVKDONJSA-N 1 0 220.341 2.031 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000930887455 639973459 /nfs/dbraw/zinc/97/34/59/639973459.db2.gz XUGFBWDJBWEVMX-NSHDSACASA-N 1 0 220.341 2.031 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1CC1CCCC1 ZINC000930891550 639975423 /nfs/dbraw/zinc/97/54/23/639975423.db2.gz JXWRSFMACIJKJV-ZIAGYGMSSA-N 1 0 236.359 2.306 20 30 BEEDRO C#CC[N@H+](CC1CCC(C#N)CC1)C1CSC1 ZINC000930960437 639999245 /nfs/dbraw/zinc/99/92/45/639999245.db2.gz LOAPRGPLKHFIKS-UHFFFAOYSA-N 1 0 248.395 2.367 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(CC)CC ZINC000912252509 640012800 /nfs/dbraw/zinc/01/28/00/640012800.db2.gz BTDMIXWNJQFLQK-GFCCVEGCSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC[N@@H+](CCc1nnc(C)o1)C(C)(C)C ZINC000931017150 640020519 /nfs/dbraw/zinc/02/05/19/640020519.db2.gz LYUUMJPHUFDJGP-UHFFFAOYSA-N 1 0 223.320 2.207 20 30 BEEDRO C=CC[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C(C)(C)C ZINC000931018079 640023945 /nfs/dbraw/zinc/02/39/45/640023945.db2.gz WVTUBKAIWXOTJK-AGIUHOORSA-N 1 0 239.359 2.077 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931020926 640023957 /nfs/dbraw/zinc/02/39/57/640023957.db2.gz FKDHPHYMMSGCIN-GFJIZPEISA-N 1 0 236.359 2.162 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C(C)=C\C(=O)OC ZINC000931063439 640049873 /nfs/dbraw/zinc/04/98/73/640049873.db2.gz RXRFCDJTDGRNTM-QEEXHBDFSA-N 1 0 235.327 2.289 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1CC1CCC1 ZINC000931068226 640056581 /nfs/dbraw/zinc/05/65/81/640056581.db2.gz XDHZKKALEWRQPJ-ZIAGYGMSSA-N 1 0 236.359 2.306 20 30 BEEDRO C[N@@H+](Cc1cncc(C#N)c1)C[C@@H]1CC1(C)C ZINC000931080875 640060907 /nfs/dbraw/zinc/06/09/07/640060907.db2.gz GMGURQJHQUBOFC-ZDUSSCGKSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)nnc2C)C1 ZINC000931163970 640083639 /nfs/dbraw/zinc/08/36/39/640083639.db2.gz REIRVIJGPPOMDZ-CYBMUJFWSA-N 1 0 231.343 2.491 20 30 BEEDRO CC[NH+]=C(NC[C@H]1CCSC1)NC(C)(C)C ZINC000912499163 640096254 /nfs/dbraw/zinc/09/62/54/640096254.db2.gz MWDQFYYDUWVDOO-SNVBAGLBSA-N 1 0 243.420 2.093 20 30 BEEDRO C#CCNC(NCc1ccccc1)=[NH+]C(C)(C)C ZINC000912499724 640098210 /nfs/dbraw/zinc/09/82/10/640098210.db2.gz ZPAHSQORLHTUHX-UHFFFAOYSA-N 1 0 243.354 2.154 20 30 BEEDRO CCC[NH+]=C(NC[C@@H](C)COC)NC(C)(C)C ZINC000912509998 640100864 /nfs/dbraw/zinc/10/08/64/640100864.db2.gz XXYXFLJIRLUQJW-LLVKDONJSA-N 1 0 243.395 2.013 20 30 BEEDRO C=CCNC(NC(C)(C)C)=[NH+]CC1CCC1 ZINC000912497307 640108084 /nfs/dbraw/zinc/10/80/84/640108084.db2.gz QDERFAFDGXZXLF-UHFFFAOYSA-N 1 0 223.364 2.306 20 30 BEEDRO C=C(Cl)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931305719 640143816 /nfs/dbraw/zinc/14/38/16/640143816.db2.gz BXAYTNXYQHKYGB-TXEJJXNPSA-N 1 0 228.767 2.013 20 30 BEEDRO CCC#C[C@@H](C)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311395 640147520 /nfs/dbraw/zinc/14/75/20/640147520.db2.gz MWCRBLRGFPGSIH-KFWWJZLASA-N 1 0 234.387 2.062 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000931374521 640170992 /nfs/dbraw/zinc/17/09/92/640170992.db2.gz MPWSGFNJMCVVSG-RBSFLKMASA-N 1 0 244.338 2.187 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912916426 640240194 /nfs/dbraw/zinc/24/01/94/640240194.db2.gz XSVVGFROIKFUCP-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000931660504 640308092 /nfs/dbraw/zinc/30/80/92/640308092.db2.gz HMEJABBMDIHCLN-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[C@H]([NH2+]C[C@H](O)CO)c1ccccc1 ZINC000931693741 640320701 /nfs/dbraw/zinc/32/07/01/640320701.db2.gz DOFFQBDBCDYTFP-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCCC[C@@H]([NH2+]C[C@H](O)CO)c1ccccc1 ZINC000931693745 640321572 /nfs/dbraw/zinc/32/15/72/640321572.db2.gz DOFFQBDBCDYTFP-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000931705883 640330595 /nfs/dbraw/zinc/33/05/95/640330595.db2.gz UHHVHWRJDQISOL-ZOWXZIJZSA-N 1 0 242.322 2.195 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@H](C)C2CC2)CC1 ZINC000931751318 640351101 /nfs/dbraw/zinc/35/11/01/640351101.db2.gz WVZHPBHZUABZJR-LLVKDONJSA-N 1 0 209.333 2.188 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000931760146 640354122 /nfs/dbraw/zinc/35/41/22/640354122.db2.gz BBXBIXMSVDBEFO-STQMWFEESA-N 1 0 238.375 2.060 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913390243 640362443 /nfs/dbraw/zinc/36/24/43/640362443.db2.gz NYOHBKZOAHBRPS-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1C#N ZINC000931774868 640366940 /nfs/dbraw/zinc/36/69/40/640366940.db2.gz OIVPNENXZWSGBD-LBPRGKRZSA-N 1 0 238.718 2.072 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000931779921 640369645 /nfs/dbraw/zinc/36/96/45/640369645.db2.gz PMXGTSXLHFRFBR-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC000931915854 640389541 /nfs/dbraw/zinc/38/95/41/640389541.db2.gz FTDIDRZZEUIERF-SECBINFHSA-N 1 0 235.224 2.376 20 30 BEEDRO C#CCC[N@@H+]1C[C@@H]2C[C@]2(c2ccccc2)C1 ZINC000931926620 640391713 /nfs/dbraw/zinc/39/17/13/640391713.db2.gz OAWJNXUVNXLOSF-LSDHHAIUSA-N 1 0 211.308 2.283 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000932029458 640412800 /nfs/dbraw/zinc/41/28/00/640412800.db2.gz NFZTXLQUBTZAKR-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2ccoc2)CC1 ZINC000163926818 640431662 /nfs/dbraw/zinc/43/16/62/640431662.db2.gz OHNXOYKNSPYIMQ-UHFFFAOYSA-N 1 0 220.316 2.020 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932131292 640436263 /nfs/dbraw/zinc/43/62/63/640436263.db2.gz WAEDYCVLBNPUEC-LBPRGKRZSA-N 1 0 219.332 2.176 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137018 640437455 /nfs/dbraw/zinc/43/74/55/640437455.db2.gz SJBCIRVMUBBVTC-OLZOCXBDSA-N 1 0 246.358 2.292 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(c2ccn(C)n2)CC1 ZINC000932141061 640437751 /nfs/dbraw/zinc/43/77/51/640437751.db2.gz ODUXVSDCFZMNGP-LBPRGKRZSA-N 1 0 246.358 2.292 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000932361644 640499458 /nfs/dbraw/zinc/49/94/58/640499458.db2.gz MVDFMWLKLMYCIM-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCN(Cc1ccnn1C(C)C)C(C)C ZINC000932387869 640501733 /nfs/dbraw/zinc/50/17/33/640501733.db2.gz MQYMAHYRIARWBR-UHFFFAOYSA-N 1 0 219.332 2.308 20 30 BEEDRO C#CC[N@@H+](C[C@H](COC)C(C)C)C(C)C ZINC000932383219 640511303 /nfs/dbraw/zinc/51/13/03/640511303.db2.gz HLKXRIHYFMKSKD-CYBMUJFWSA-N 1 0 211.349 2.249 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCC2(CCC2)O1)C(C)C ZINC000932384351 640511843 /nfs/dbraw/zinc/51/18/43/640511843.db2.gz PXOVAPMHQMUHGG-CYBMUJFWSA-N 1 0 221.344 2.432 20 30 BEEDRO C#CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000932390411 640517567 /nfs/dbraw/zinc/51/75/67/640517567.db2.gz LWTJEUFIDAYEBX-UHFFFAOYSA-N 1 0 246.310 2.481 20 30 BEEDRO C#CC[N@@H+](CCOc1ccc(C#N)cc1)C(C)C ZINC000932392909 640520099 /nfs/dbraw/zinc/52/00/99/640520099.db2.gz FAYUDTKXIBOUTP-UHFFFAOYSA-N 1 0 242.322 2.281 20 30 BEEDRO C#CC[N@H+](Cc1cccc2c1OCCO2)C(C)C ZINC000932392210 640520639 /nfs/dbraw/zinc/52/06/39/640520639.db2.gz CSFSNSNKTHUVEP-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932437796 640526649 /nfs/dbraw/zinc/52/66/49/640526649.db2.gz CJGMJURYKAYIQU-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932435533 640526843 /nfs/dbraw/zinc/52/68/43/640526843.db2.gz YLMHPAOWYDUTFD-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](Cc1ccccn1)CC(C)C ZINC000932447493 640530073 /nfs/dbraw/zinc/53/00/73/640530073.db2.gz SVOVDMLQPFMFRK-HNNXBMFYSA-N 1 0 248.370 2.477 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000932461070 640532559 /nfs/dbraw/zinc/53/25/59/640532559.db2.gz QGYPIKPKTQQTJL-ZDUSSCGKSA-N 1 0 248.370 2.165 20 30 BEEDRO C#CC[N@@H+](CCO[C@H]1CCCCO1)C(C)(C)C ZINC000932462968 640535456 /nfs/dbraw/zinc/53/54/56/640535456.db2.gz FGCASLHPICVQKG-ZDUSSCGKSA-N 1 0 239.359 2.263 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C(C)(C)C)C(C)(C)C ZINC000932463943 640536881 /nfs/dbraw/zinc/53/68/81/640536881.db2.gz QVAMXZKHXRTXPT-NSHDSACASA-N 1 0 211.349 2.127 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)CC(F)(F)F)C(C)(C)C ZINC000932463963 640538163 /nfs/dbraw/zinc/53/81/63/640538163.db2.gz QZNRMUYFFNMHQV-VIFPVBQESA-N 1 0 237.265 2.033 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000165152417 640541050 /nfs/dbraw/zinc/54/10/50/640541050.db2.gz IMJXFQKIUIRDPP-UHFFFAOYSA-N 1 0 231.723 2.014 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]CC#Cc1ccccc1Cl ZINC000932489962 640553640 /nfs/dbraw/zinc/55/36/40/640553640.db2.gz UILRNKQACWYJHR-RISCZKNCSA-N 1 0 249.741 2.316 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]CCC1(C#N)CCCCC1 ZINC000932492997 640555841 /nfs/dbraw/zinc/55/58/41/640555841.db2.gz WAAUQVFAOLZSGE-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[N@@H+]1CCn2c(cnc2C(F)(F)F)C1 ZINC000932583970 640578029 /nfs/dbraw/zinc/57/80/29/640578029.db2.gz ZLIGTISKIMDEEV-UHFFFAOYSA-N 1 0 245.248 2.294 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCCC[NH+](C)C ZINC000932707393 640603828 /nfs/dbraw/zinc/60/38/28/640603828.db2.gz WVKDRMNBOABHGU-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C#CCCC[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932828516 640614291 /nfs/dbraw/zinc/61/42/91/640614291.db2.gz VWLGJMULGZAGQJ-UHFFFAOYSA-N 1 0 249.276 2.037 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(O)(C3CCC3)CC2)C1 ZINC000932819291 640614602 /nfs/dbraw/zinc/61/46/02/640614602.db2.gz NLWLYZZLYMDNIM-TZMCWYRMSA-N 1 0 248.370 2.306 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000157206573 640638115 /nfs/dbraw/zinc/63/81/15/640638115.db2.gz TYQVRZBMKVHCNQ-LBPRGKRZSA-N 1 0 242.322 2.097 20 30 BEEDRO N#CCCOCC[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932891957 640641790 /nfs/dbraw/zinc/64/17/90/640641790.db2.gz VVZVWFNFJVZPBH-HUUCEWRRSA-N 1 0 248.370 2.427 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000166467177 640645439 /nfs/dbraw/zinc/64/54/39/640645439.db2.gz POJPSCWQGBQISO-VXGBXAGGSA-N 1 0 217.312 2.238 20 30 BEEDRO C=CCCC[N@@H+](CC)C(C)(C)C(=O)OC ZINC000933186732 640676588 /nfs/dbraw/zinc/67/65/88/640676588.db2.gz DHWPAXLNOJDQDT-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C#CCC1([NH2+]Cc2cnns2)CCCCC1 ZINC000933266028 640694290 /nfs/dbraw/zinc/69/42/90/640694290.db2.gz OGIFUOPWZARHDX-UHFFFAOYSA-N 1 0 235.356 2.354 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnc(N)c2)CCCCC1 ZINC000933265274 640694487 /nfs/dbraw/zinc/69/44/87/640694487.db2.gz VZRMTHVWNPBFQN-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(C)n2)CCC1 ZINC000933294756 640699561 /nfs/dbraw/zinc/69/95/61/640699561.db2.gz NPENGCHAFNHMAX-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(Cl)n(C)n2)CCC1 ZINC000933295241 640700444 /nfs/dbraw/zinc/70/04/44/640700444.db2.gz RYBPODPRJSWHCI-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CCC1([NH2+][C@@H](C)c2cnc(C)cn2)CCC1 ZINC000933297045 640700548 /nfs/dbraw/zinc/70/05/48/640700548.db2.gz WOVDGHXCJHIIBV-LBPRGKRZSA-N 1 0 229.327 2.382 20 30 BEEDRO C#CCC1([NH2+]Cc2c(C)noc2C)CCC1 ZINC000933296933 640701326 /nfs/dbraw/zinc/70/13/26/640701326.db2.gz RWAHNENKDNSNLF-UHFFFAOYSA-N 1 0 218.300 2.327 20 30 BEEDRO C#CCC1([NH2+][C@H](C)c2nnc(C)s2)CCC1 ZINC000933296998 640701339 /nfs/dbraw/zinc/70/13/39/640701339.db2.gz UUMRVXKLEWECMY-SECBINFHSA-N 1 0 235.356 2.443 20 30 BEEDRO C#CCC1([NH2+]CCCOCC(F)(F)F)CCC1 ZINC000933301260 640701825 /nfs/dbraw/zinc/70/18/25/640701825.db2.gz LHUVRWXBJDXWRG-UHFFFAOYSA-N 1 0 249.276 2.491 20 30 BEEDRO C#CCC1([NH2+]C[C@H](O)c2ccc(F)cc2)CCC1 ZINC000933304246 640702182 /nfs/dbraw/zinc/70/21/82/640702182.db2.gz JJMVOGBVLTXMBT-AWEZNQCLSA-N 1 0 247.313 2.395 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CO)Cc1ccc(OC)cc1 ZINC000933424643 640715874 /nfs/dbraw/zinc/71/58/74/640715874.db2.gz QHMDZRKHHIHLIH-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C#CCCC[NH2+][C@](C)(CO)Cc1ccc(F)cc1 ZINC000933438497 640717672 /nfs/dbraw/zinc/71/76/72/640717672.db2.gz AFMFYVZATCQSSL-HNNXBMFYSA-N 1 0 249.329 2.122 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC000933440116 640718151 /nfs/dbraw/zinc/71/81/51/640718151.db2.gz YAYPJCDZOFOVCY-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CO)Cc1ccc(F)cc1 ZINC000933442513 640718211 /nfs/dbraw/zinc/71/82/11/640718211.db2.gz SHSDQFQVWCBXAG-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000933487968 640721035 /nfs/dbraw/zinc/72/10/35/640721035.db2.gz FBKPFOIGRGLYST-RISCZKNCSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000933492230 640721208 /nfs/dbraw/zinc/72/12/08/640721208.db2.gz RYZTYWBVTYULHR-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000933485903 640722142 /nfs/dbraw/zinc/72/21/42/640722142.db2.gz OCBIVWDXYYPVIG-CYBMUJFWSA-N 1 0 247.338 2.304 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933562454 640725705 /nfs/dbraw/zinc/72/57/05/640725705.db2.gz ASHBJBQNQNMRPB-GFCCVEGCSA-N 1 0 235.331 2.209 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933574989 640726981 /nfs/dbraw/zinc/72/69/81/640726981.db2.gz OFQLCVGOSRSSMW-CYBMUJFWSA-N 1 0 247.342 2.046 20 30 BEEDRO CCCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933651125 640739793 /nfs/dbraw/zinc/73/97/93/640739793.db2.gz CRBHJAGXGGXLCP-UHFFFAOYSA-N 1 0 223.316 2.124 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000933672401 640740487 /nfs/dbraw/zinc/74/04/87/640740487.db2.gz HGDHEWZWFOSJPL-UONOGXRCSA-N 1 0 239.359 2.080 20 30 BEEDRO CC(C)[N@H+](C)CCCNc1ccnc(C#N)c1 ZINC000226255163 640741832 /nfs/dbraw/zinc/74/18/32/640741832.db2.gz BDLXRWKWJFGBDL-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@]12C[N@H+](CCC#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933706566 640751528 /nfs/dbraw/zinc/75/15/28/640751528.db2.gz KEZLNYNEZZZGTL-QNWHQSFQSA-N 1 0 202.301 2.044 20 30 BEEDRO COCC[C@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775223 640765062 /nfs/dbraw/zinc/76/50/62/640765062.db2.gz LSPYFJDWHQCIIM-JTQLQIEISA-N 1 0 238.356 2.477 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933872649 640778779 /nfs/dbraw/zinc/77/87/79/640778779.db2.gz NSEZKZIORFRCEW-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CCc2cccnc21 ZINC000226819217 640793397 /nfs/dbraw/zinc/79/33/97/640793397.db2.gz HRMKYVRVSFPKJK-NEPJUHHUSA-N 1 0 215.300 2.351 20 30 BEEDRO C#CCC[NH2+]C1(c2ccc3c(c2)OCCO3)CC1 ZINC000933999449 640801734 /nfs/dbraw/zinc/80/17/34/640801734.db2.gz OYHRMWXAHBPJFE-UHFFFAOYSA-N 1 0 243.306 2.060 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@H](C)C(N)=O ZINC000059321915 640804051 /nfs/dbraw/zinc/80/40/51/640804051.db2.gz HXDOHMKKQFQQSX-WDEREUQCSA-N 1 0 214.353 2.199 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1Cl ZINC000169013683 640836286 /nfs/dbraw/zinc/83/62/86/640836286.db2.gz JYQXCCYNUQWWTR-NSHDSACASA-N 1 0 238.718 2.072 20 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C#CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160608984 641147184 /nfs/dbraw/zinc/14/71/84/641147184.db2.gz HFVRBHXYJVCJRD-GFCCVEGCSA-N 1 0 247.338 2.120 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCC(=O)N1CCCCC1 ZINC000934463284 641148875 /nfs/dbraw/zinc/14/88/75/641148875.db2.gz XSMCIFUECBJLSV-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@](O)(CC)C(F)(F)F ZINC000934461126 641153371 /nfs/dbraw/zinc/15/33/71/641153371.db2.gz JXXFMSCJCKGPLR-NXEZZACHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1cccc(F)n1 ZINC000934460941 641153933 /nfs/dbraw/zinc/15/39/33/641153933.db2.gz UDCUSKOHARUYDE-LLVKDONJSA-N 1 0 206.264 2.371 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)c1cnccn1 ZINC000934463305 641157770 /nfs/dbraw/zinc/15/77/70/641157770.db2.gz XYTXIILNBMERFG-MNOVXSKESA-N 1 0 203.289 2.188 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1c(C)noc1C ZINC000934463811 641157857 /nfs/dbraw/zinc/15/78/57/641157857.db2.gz JYLBMCZXPFYSLP-LLVKDONJSA-N 1 0 206.289 2.442 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000934463154 641158305 /nfs/dbraw/zinc/15/83/05/641158305.db2.gz UFTPTJHTBMAJLO-QWHCGFSZSA-N 1 0 234.343 2.082 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H](CCCC)C(=O)OC ZINC000934468818 641161243 /nfs/dbraw/zinc/16/12/43/641161243.db2.gz KFIUCLMUSFYTSP-VXGBXAGGSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC[C@H]1CCN1CC(=O)Nc1cccc(F)c1 ZINC000934473208 641167164 /nfs/dbraw/zinc/16/71/64/641167164.db2.gz UUUQOGYTIDJQOF-ZDUSSCGKSA-N 1 0 248.301 2.415 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)N1CCCCC1 ZINC000934473277 641168160 /nfs/dbraw/zinc/16/81/60/641168160.db2.gz VNLRBHXJAXZJGG-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000934508967 641173185 /nfs/dbraw/zinc/17/31/85/641173185.db2.gz JLBBMSVXKMDEJU-LSDHHAIUSA-N 1 0 229.323 2.208 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000934515305 641180056 /nfs/dbraw/zinc/18/00/56/641180056.db2.gz RVLVLGHZSRCPIX-JKSUJKDBSA-N 1 0 243.350 2.078 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1ccc(N(C)C)nc1 ZINC000934515903 641183496 /nfs/dbraw/zinc/18/34/96/641183496.db2.gz UDJGDMGEBVFBIW-CQSZACIVSA-N 1 0 243.354 2.135 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCc1csc(C)n1 ZINC000934515593 641184488 /nfs/dbraw/zinc/18/44/88/641184488.db2.gz WDXIPRXLAPVMBA-ZDUSSCGKSA-N 1 0 234.368 2.482 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000934519754 641185912 /nfs/dbraw/zinc/18/59/12/641185912.db2.gz TYSNWLQDKRLIBR-XGUBFFRZSA-N 1 0 233.355 2.432 20 30 BEEDRO C#C[C@H]1CCCC[N@@H+]1CC[C@H]1CCCO1 ZINC000934517102 641185981 /nfs/dbraw/zinc/18/59/81/641185981.db2.gz SMGWMTUKLUHKME-QWHCGFSZSA-N 1 0 207.317 2.043 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000934519086 641187819 /nfs/dbraw/zinc/18/78/19/641187819.db2.gz PQFUIYSTDXGRHG-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1Cc1[nH]c(C)nc1C ZINC000934519012 641187959 /nfs/dbraw/zinc/18/79/59/641187959.db2.gz OZECFIUKJNTTCH-LBPRGKRZSA-N 1 0 217.316 2.014 20 30 BEEDRO C=CCCC[N@@H+](CC)CCCC(=O)OC ZINC000934644348 641228373 /nfs/dbraw/zinc/22/83/73/641228373.db2.gz AJUQVMKYNMZUIA-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=CCCC[N@@H+](CC)CCc1cnn(C)c1 ZINC000934644779 641227163 /nfs/dbraw/zinc/22/71/63/641227163.db2.gz IBUDIGZTBJTWGC-UHFFFAOYSA-N 1 0 221.348 2.251 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)c1nccc(N)n1 ZINC000934645229 641227834 /nfs/dbraw/zinc/22/78/34/641227834.db2.gz OIXFUOKQQCBGTD-LLVKDONJSA-N 1 0 234.347 2.408 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1nccn1C ZINC000934644819 641228409 /nfs/dbraw/zinc/22/84/09/641228409.db2.gz ITAMTYXJQAUWBD-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)c1nncn1C ZINC000934645644 641229190 /nfs/dbraw/zinc/22/91/90/641229190.db2.gz WOCVLJNHEJBGCG-LLVKDONJSA-N 1 0 222.336 2.164 20 30 BEEDRO C=CCCC[N@@H+](CC)CC[C@@H]1CCOC1=O ZINC000934646250 641232100 /nfs/dbraw/zinc/23/21/00/641232100.db2.gz NGGARBKXUPPHEW-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1c(C)nnn1CC ZINC000934646118 641232827 /nfs/dbraw/zinc/23/28/27/641232827.db2.gz CZEZMXAPUHGUHQ-UHFFFAOYSA-N 1 0 236.363 2.395 20 30 BEEDRO C=CCCC[N@@H+](CC)CC(=O)N[C@@H](C)CC ZINC000934649892 641234284 /nfs/dbraw/zinc/23/42/84/641234284.db2.gz DXDBUDOIUANRPQ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)CSC ZINC000934674394 641242510 /nfs/dbraw/zinc/24/25/10/641242510.db2.gz JPVSGUSADKZJKF-SNVBAGLBSA-N 1 0 217.378 2.045 20 30 BEEDRO CCCCC(N)=[NH+]OCCCCCOC ZINC000174126623 641245596 /nfs/dbraw/zinc/24/55/96/641245596.db2.gz RZDRQGXKPQSOSF-UHFFFAOYSA-N 1 0 216.325 2.282 20 30 BEEDRO C=CCOCC[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934700639 641250633 /nfs/dbraw/zinc/25/06/33/641250633.db2.gz UAXNYNMMPYJIAS-AWEZNQCLSA-N 1 0 232.327 2.325 20 30 BEEDRO C=C(Cl)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000174313388 641270161 /nfs/dbraw/zinc/27/01/61/641270161.db2.gz BJIBAYLFZYKUIL-NSHDSACASA-N 1 0 216.756 2.155 20 30 BEEDRO C#CCN(CC#C)CCOc1ccccc1Cl ZINC000174528569 641299106 /nfs/dbraw/zinc/29/91/06/641299106.db2.gz YYDNOASZBGQLTM-UHFFFAOYSA-N 1 0 247.725 2.287 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000174609374 641310092 /nfs/dbraw/zinc/31/00/92/641310092.db2.gz LWONAILOVLPYPZ-UHFFFAOYSA-N 1 0 215.296 2.125 20 30 BEEDRO C#CCCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000174613028 641310868 /nfs/dbraw/zinc/31/08/68/641310868.db2.gz JNZHDXIXCGBFIO-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(OCCOC)c1 ZINC000174613635 641312049 /nfs/dbraw/zinc/31/20/49/641312049.db2.gz PTFBVKSORICGAF-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000929463611 641326818 /nfs/dbraw/zinc/32/68/18/641326818.db2.gz XZXXLQGAJBADAV-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[N@H+](CC)[C@@H](C)C1 ZINC000935070595 641330503 /nfs/dbraw/zinc/33/05/03/641330503.db2.gz JMXAFLAUITVSTD-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929502200 641335512 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C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001015659905 642916450 /nfs/dbraw/zinc/91/64/50/642916450.db2.gz NJMHGYOJBBMAQI-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C)CC1 ZINC001017576235 642979470 /nfs/dbraw/zinc/97/94/70/642979470.db2.gz PIOHBRGVPVZZGL-BETUJISGSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001018476752 642995006 /nfs/dbraw/zinc/99/50/06/642995006.db2.gz ADZHNGKJEHDNSV-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]CC(C)C)C1 ZINC001019237971 643021607 /nfs/dbraw/zinc/02/16/07/643021607.db2.gz GZJZNWKAIWZLGT-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC=CCC2)C1 ZINC001019243757 643024345 /nfs/dbraw/zinc/02/43/45/643024345.db2.gz FUDRYSUFKIZOHR-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001019249258 643026021 /nfs/dbraw/zinc/02/60/21/643026021.db2.gz 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/nfs/dbraw/zinc/97/39/65/643973965.db2.gz LYRQEONSMAXOSZ-GFCCVEGCSA-N 1 0 249.358 2.025 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2ccncc2N)CC1 ZINC000922710004 644073583 /nfs/dbraw/zinc/07/35/83/644073583.db2.gz HNGJVCKBKUHWNO-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@@H](O)CCC)cc1 ZINC000922821146 644110826 /nfs/dbraw/zinc/11/08/26/644110826.db2.gz KUGBLUMLVWQBBS-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO C=C(Br)C[N@H+](C)CC1CCOCC1 ZINC000156182062 644126409 /nfs/dbraw/zinc/12/64/09/644126409.db2.gz OULGULPCHJIKDG-UHFFFAOYSA-N 1 0 248.164 2.253 20 30 BEEDRO C#CCCCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000192169572 644132568 /nfs/dbraw/zinc/13/25/68/644132568.db2.gz KWQZTCFGBSANCL-UHFFFAOYSA-N 1 0 244.338 2.490 20 30 BEEDRO CC1(C)C[C@H]1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000232875033 644170534 /nfs/dbraw/zinc/17/05/34/644170534.db2.gz YPDHITXGTZJVEN-KBPBESRZSA-N 1 0 244.338 2.227 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)C2=CCCC2)CC1 ZINC001005241711 644174262 /nfs/dbraw/zinc/17/42/62/644174262.db2.gz ABIXXRVUQSFRRE-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCO[C@@H]2CCOC2)C1 ZINC000922936325 644194512 /nfs/dbraw/zinc/19/45/12/644194512.db2.gz FXEZMGNPFPIXJX-HZSPNIEDSA-N 1 0 239.359 2.126 20 30 BEEDRO C#C[C@@H](C)NC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000187048491 644201454 /nfs/dbraw/zinc/20/14/54/644201454.db2.gz FCSADMAPUZNWNK-NEPJUHHUSA-N 1 0 223.364 2.127 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cncc(O)c1 ZINC000922976477 644206743 /nfs/dbraw/zinc/20/67/43/644206743.db2.gz XERORZFMPRILQT-UHFFFAOYSA-N 1 0 233.315 2.207 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1cc(C#N)ccc1F ZINC000079742446 644207562 /nfs/dbraw/zinc/20/75/62/644207562.db2.gz HUUAIGCYDOWQMM-LBPRGKRZSA-N 1 0 236.290 2.212 20 30 BEEDRO C#CCC1([NH2+]Cc2ccncc2N)CCCCC1 ZINC000922982097 644214454 /nfs/dbraw/zinc/21/44/54/644214454.db2.gz WGHIYSNICQNWAX-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO C#CCC1([NH2+]Cc2nc(C)c(C)[nH]2)CCC1 ZINC000923000207 644217596 /nfs/dbraw/zinc/21/75/96/644217596.db2.gz ZJYQDQWBJAROQP-UHFFFAOYSA-N 1 0 217.316 2.062 20 30 BEEDRO C#CCC1([NH2+]Cc2cccnc2C)CCC1 ZINC000922998858 644224502 /nfs/dbraw/zinc/22/45/02/644224502.db2.gz ZWAMCLGPDSMNKY-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO CC(C)C[C@@H](C[NH+](C)C)Nc1cccc(C#N)n1 ZINC000081595895 644334836 /nfs/dbraw/zinc/33/48/36/644334836.db2.gz JNFPTJPBAYOFEE-ZDUSSCGKSA-N 1 0 246.358 2.341 20 30 BEEDRO CCCCCCCCCNC(=O)[C@H](C)[NH3+] ZINC000195137713 644362691 /nfs/dbraw/zinc/36/26/91/644362691.db2.gz BTHXKLISDFZVIY-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](COC)C(C)C ZINC000083400136 644402869 /nfs/dbraw/zinc/40/28/69/644402869.db2.gz RLKASKLLHYPFTK-VIFPVBQESA-N 1 0 236.153 2.156 20 30 BEEDRO C=C(Cl)C[NH2+][C@](C)(CC)CC(=O)OC ZINC000839522985 644559371 /nfs/dbraw/zinc/55/93/71/644559371.db2.gz ZHUXAWSXLWVDHI-SNVBAGLBSA-N 1 0 219.712 2.060 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000740876332 644562024 /nfs/dbraw/zinc/56/20/24/644562024.db2.gz QRGYIMKNJDWBAE-ZDUSSCGKSA-N 1 0 240.391 2.413 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)cc1 ZINC000090774559 644605751 /nfs/dbraw/zinc/60/57/51/644605751.db2.gz SDCZJBKSIWVUPR-GXTWGEPZSA-N 1 0 245.322 2.138 20 30 BEEDRO C#CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000754083481 644608008 /nfs/dbraw/zinc/60/80/08/644608008.db2.gz WOGYIVPJKPEDOT-UHFFFAOYSA-N 1 0 242.322 2.163 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@H]1CCCO1 ZINC000769788274 644682299 /nfs/dbraw/zinc/68/22/99/644682299.db2.gz HPNMXKOQKHHTFM-ZIAGYGMSSA-N 1 0 248.370 2.477 20 30 BEEDRO CC(CCC1CCCC1)=NNC1=[NH+][C@H](C)CN1 ZINC000779805545 644717603 /nfs/dbraw/zinc/71/76/03/644717603.db2.gz OKJXRQGHASNGAN-LLVKDONJSA-N 1 0 236.363 2.270 20 30 BEEDRO CC(=CN=NC1=[NH+]C[C@@H](C)N1)Cc1ccccc1 ZINC000779805727 644718618 /nfs/dbraw/zinc/71/86/18/644718618.db2.gz RCKMIPPZANTFOF-RKMJOQGQSA-N 1 0 242.326 2.013 20 30 BEEDRO C=C(Cl)CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000250523739 644761062 /nfs/dbraw/zinc/76/10/62/644761062.db2.gz NJTRVHZMLKZLOP-VXGBXAGGSA-N 1 0 228.767 2.345 20 30 BEEDRO C#CC[N@@H+](CC1(OC)CCCCC1)C1CC1 ZINC000792174817 644793525 /nfs/dbraw/zinc/79/35/25/644793525.db2.gz IESCATOXQJSFGR-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO CNC(NCC1CCCCCCC1)=[NH+]C ZINC000303264316 644814087 /nfs/dbraw/zinc/81/40/87/644814087.db2.gz SCDLKXLGNAPNME-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccccc1O ZINC000303573450 644832802 /nfs/dbraw/zinc/83/28/02/644832802.db2.gz MBVXEFCPVMBMHM-NSHDSACASA-N 1 0 221.300 2.245 20 30 BEEDRO [NH2+]=C(NCc1cccs1)N1CCCCC1 ZINC000303707476 644838020 /nfs/dbraw/zinc/83/80/20/644838020.db2.gz MLSXICOYFKRBLK-UHFFFAOYSA-N 1 0 223.345 2.049 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NCc2ccccn2)c1 ZINC000303703566 644838046 /nfs/dbraw/zinc/83/80/46/644838046.db2.gz JNYMCHFRSPZVHS-UHFFFAOYSA-N 1 0 240.310 2.317 20 30 BEEDRO CC(C)NC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000303712374 644840987 /nfs/dbraw/zinc/84/09/87/644840987.db2.gz PYNDLLNEPFAXCM-UHFFFAOYSA-N 1 0 244.342 2.023 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCCOC(C)C ZINC000303721114 644842742 /nfs/dbraw/zinc/84/27/42/644842742.db2.gz XCRSIBZXGPOZFU-UHFFFAOYSA-N 1 0 243.395 2.286 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000303774877 644844485 /nfs/dbraw/zinc/84/44/85/644844485.db2.gz GGUMZVNGMFKTOQ-STQMWFEESA-N 1 0 231.343 2.199 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@H]1c1ccccc1)N1CCCCC1 ZINC000303770376 644844967 /nfs/dbraw/zinc/84/49/67/644844967.db2.gz BXNHSMOYUKTTQS-KBPBESRZSA-N 1 0 243.354 2.343 20 30 BEEDRO [NH2+]=C(NCCc1ccccc1F)NCC1CCC1 ZINC000303777569 644846354 /nfs/dbraw/zinc/84/63/54/644846354.db2.gz IYEHQKZTUQMWFK-UHFFFAOYSA-N 1 0 249.333 2.073 20 30 BEEDRO CC(C)CCNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000303792691 644848234 /nfs/dbraw/zinc/84/82/34/644848234.db2.gz YQGGPELEHSNWRT-ZIAGYGMSSA-N 1 0 245.370 2.493 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCCC[C@H]1C ZINC000303868717 644851588 /nfs/dbraw/zinc/85/15/88/644851588.db2.gz DLNUDRQNUSEWGP-NEPJUHHUSA-N 1 0 225.380 2.469 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CC(C)(C)CC#N)C12CCC2 ZINC000414158909 644852184 /nfs/dbraw/zinc/85/21/84/644852184.db2.gz ASGAGYWFJUYYGE-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCCCOC1CCCC1 ZINC000303984872 644863169 /nfs/dbraw/zinc/86/31/69/644863169.db2.gz SOGJPHBZYZLDMP-UHFFFAOYSA-N 1 0 241.379 2.039 20 30 BEEDRO CC[N@@H+]1CCC(=NNCC2CCCC2)[C@H](C)C1 ZINC000808005631 644869002 /nfs/dbraw/zinc/86/90/02/644869002.db2.gz HPVCJXQSBUCHSA-GFCCVEGCSA-N 1 0 237.391 2.484 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCc2sccc2C1 ZINC000304214334 644877166 /nfs/dbraw/zinc/87/71/66/644877166.db2.gz FYIQYERAYDHVMH-SNVBAGLBSA-N 1 0 236.340 2.035 20 30 BEEDRO CC[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)CC1 ZINC000304233433 644878859 /nfs/dbraw/zinc/87/88/59/644878859.db2.gz LMIPLWQXYSDOAH-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCCC1(C)C ZINC000304234709 644879033 /nfs/dbraw/zinc/87/90/33/644879033.db2.gz LVXJMHGSAQJOCL-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000304242392 644881223 /nfs/dbraw/zinc/88/12/23/644881223.db2.gz OEHJTOBOHPHAAP-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC1(CC)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000304247681 644882481 /nfs/dbraw/zinc/88/24/81/644882481.db2.gz PXPPTQZLHJCLOP-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[N@H+](C[C@H](O)CC#N)C1CCCCCCC1 ZINC000809573852 644892111 /nfs/dbraw/zinc/89/21/11/644892111.db2.gz ZZZIIQFJDNRBTD-CYBMUJFWSA-N 1 0 224.348 2.306 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCC(F)F)c1 ZINC000304695043 644925172 /nfs/dbraw/zinc/92/51/72/644925172.db2.gz ICPUVXVRUBDSHO-UHFFFAOYSA-N 1 0 227.258 2.295 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCC(C)(C)OC)c1 ZINC000304745042 644929252 /nfs/dbraw/zinc/92/92/52/644929252.db2.gz DYHXBRHTXKPWQR-UHFFFAOYSA-N 1 0 249.358 2.401 20 30 BEEDRO CCc1ccc(CCNC(=[NH2+])NC(C)(C)C)cc1 ZINC000304763315 644933091 /nfs/dbraw/zinc/93/30/91/644933091.db2.gz WQQJAQNHAPFJBX-UHFFFAOYSA-N 1 0 247.386 2.494 20 30 BEEDRO CCC1(CNC(=[NH2+])NCCC(C)C)CC1 ZINC000304808839 644934461 /nfs/dbraw/zinc/93/44/61/644934461.db2.gz VAAZKGNMNRRMRJ-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO CCC1(CNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000304814583 644935198 /nfs/dbraw/zinc/93/51/98/644935198.db2.gz ZULVBLCWMNGGCL-LLVKDONJSA-N 1 0 223.364 2.223 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCC1(C(C)C)CC1 ZINC000304851067 644936738 /nfs/dbraw/zinc/93/67/38/644936738.db2.gz RCQIKQDLPGLTIN-UHFFFAOYSA-N 1 0 249.358 2.381 20 30 BEEDRO CCOc1ccc(N=NC2C[N@H+](C)C[C@H]2C)cc1 ZINC000814984070 644946960 /nfs/dbraw/zinc/94/69/60/644946960.db2.gz SVOHSBJXIZRTFM-LLVKDONJSA-N 1 0 247.342 2.435 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000817283198 644970625 /nfs/dbraw/zinc/97/06/25/644970625.db2.gz XVXIEZGHRDHOIR-CYBMUJFWSA-N 1 0 226.364 2.167 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CNCCO1 ZINC000817984181 644995014 /nfs/dbraw/zinc/99/50/14/644995014.db2.gz VTLHVIDRXXSGSW-UONOGXRCSA-N 1 0 240.391 2.089 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2CC)cc1 ZINC000824636821 645057447 /nfs/dbraw/zinc/05/74/47/645057447.db2.gz TZLCLRMKUWLJCN-JKSUJKDBSA-N 1 0 243.350 2.261 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CSCCF)C(C)C ZINC000825878665 645063514 /nfs/dbraw/zinc/06/35/14/645063514.db2.gz VDKGNVQQPBUZCA-WDEREUQCSA-N 1 0 217.353 2.325 20 30 BEEDRO CCN(CCC#N)CCC(=O)CC(C)C ZINC000827970481 645090164 /nfs/dbraw/zinc/09/01/64/645090164.db2.gz GLKBIIACHRHUSX-UHFFFAOYSA-N 1 0 210.321 2.227 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(OC)cn2)C1 ZINC000829804328 645111247 /nfs/dbraw/zinc/11/12/47/645111247.db2.gz GWULNFUAKQJKHZ-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000830311399 645119037 /nfs/dbraw/zinc/11/90/37/645119037.db2.gz MRKQDKFMVQGOJR-HNNXBMFYSA-N 1 0 229.323 2.065 20 30 BEEDRO C#CC1CC[NH+](CCCCC(=O)OCC)CC1 ZINC000830326061 645119302 /nfs/dbraw/zinc/11/93/02/645119302.db2.gz AITPXCNRHYRIIH-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CC1CC[NH+](C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000830345409 645120614 /nfs/dbraw/zinc/12/06/14/645120614.db2.gz BXPCMNNXDDGLJN-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C=C(C)CC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926517408 645250046 /nfs/dbraw/zinc/25/00/46/645250046.db2.gz BQGXNCUPNJAAIL-HIFPTAJRSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926523560 645251785 /nfs/dbraw/zinc/25/17/85/645251785.db2.gz ZPAFDKVFIMEPPL-ZJUUUORDSA-N 1 0 220.320 2.086 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926525106 645255157 /nfs/dbraw/zinc/25/51/57/645255157.db2.gz IUBQRLLJWWYOAP-ZSLBOAEBSA-N 1 0 219.328 2.274 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926546600 645268391 /nfs/dbraw/zinc/26/83/91/645268391.db2.gz UUSQMVKBSSAWQU-CRWXNKLISA-N 1 0 221.344 2.258 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000926551098 645273109 /nfs/dbraw/zinc/27/31/09/645273109.db2.gz RNNAARWRFSZLAW-SDDRHHMPSA-N 1 0 224.348 2.065 20 30 BEEDRO C#CC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000843426618 645291578 /nfs/dbraw/zinc/29/15/78/645291578.db2.gz CIZCGIJELZEALQ-UHFFFAOYSA-N 1 0 246.379 2.477 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000926597272 645306452 /nfs/dbraw/zinc/30/64/52/645306452.db2.gz VVXPHUVUZINWLZ-AGIUHOORSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000926597273 645307432 /nfs/dbraw/zinc/30/74/32/645307432.db2.gz VVXPHUVUZINWLZ-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(SC)C1 ZINC000926612204 645313747 /nfs/dbraw/zinc/31/37/47/645313747.db2.gz ZPGMNWDWDPBSKT-XKGSQUFQSA-N 1 0 227.373 2.061 20 30 BEEDRO C[C@H]1CC2(CC([NH2+][C@@H]3CC[C@H](C#N)C3)C2)CO1 ZINC000926614143 645314839 /nfs/dbraw/zinc/31/48/39/645314839.db2.gz HRAHAYWMPLKIOQ-OMXXWXSESA-N 1 0 234.343 2.226 20 30 BEEDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000926623170 645318335 /nfs/dbraw/zinc/31/83/35/645318335.db2.gz BTMLBLZGBRTURF-STQMWFEESA-N 1 0 236.359 2.331 20 30 BEEDRO C#CCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000844382776 645323945 /nfs/dbraw/zinc/32/39/45/645323945.db2.gz IVHARIWTASOLDM-UHFFFAOYSA-N 1 0 235.224 2.376 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441843 645331743 /nfs/dbraw/zinc/33/17/43/645331743.db2.gz USSQPMPGCDPZBZ-GHMZBOCLSA-N 1 0 231.286 2.045 20 30 BEEDRO N#CCCOCC[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844445281 645334216 /nfs/dbraw/zinc/33/42/16/645334216.db2.gz XQMCLCJTMVJCSK-LLVKDONJSA-N 1 0 244.285 2.038 20 30 BEEDRO C=CCCc1noc([C@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844921096 645349402 /nfs/dbraw/zinc/34/94/02/645349402.db2.gz XYCNJEOXBFSJOV-GHMZBOCLSA-N 1 0 233.315 2.391 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926701629 645368498 /nfs/dbraw/zinc/36/84/98/645368498.db2.gz BQRJHCIOLKQRKC-ZIAGYGMSSA-N 1 0 241.375 2.230 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]CC2(C#N)CCCCC2)CO[C@H]1C ZINC000926712359 645375758 /nfs/dbraw/zinc/37/57/58/645375758.db2.gz MDIARCMGHNCWLW-AVGNSLFASA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]1C ZINC000926712362 645376440 /nfs/dbraw/zinc/37/64/40/645376440.db2.gz MDIARCMGHNCWLW-FRRDWIJNSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000845925876 645387556 /nfs/dbraw/zinc/38/75/56/645387556.db2.gz MDYLKGKHWVGZJU-BBBLOLIVSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000845925879 645388005 /nfs/dbraw/zinc/38/80/05/645388005.db2.gz MDYLKGKHWVGZJU-UTLUCORTSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC000845928388 645388078 /nfs/dbraw/zinc/38/80/78/645388078.db2.gz MERBXFYARSYUHQ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc2ccccc2[nH]1 ZINC000926729194 645389596 /nfs/dbraw/zinc/38/95/96/645389596.db2.gz ZJIOSIGFHMWHPO-ZYHUDNBSSA-N 1 0 230.311 2.365 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2(Br)CC2)C1 ZINC000847017309 645412721 /nfs/dbraw/zinc/41/27/21/645412721.db2.gz BRMFVCZHVNXOED-SNVBAGLBSA-N 1 0 242.160 2.259 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000847017306 645417313 /nfs/dbraw/zinc/41/73/13/645417313.db2.gz BPXBDEUSXBVOTL-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000847028423 645420276 /nfs/dbraw/zinc/42/02/76/645420276.db2.gz YBWCUPUVKDQEIC-OAHLLOKOSA-N 1 0 242.366 2.468 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926781585 645427252 /nfs/dbraw/zinc/42/72/52/645427252.db2.gz RMHVYOPXZIYVIN-NSHDSACASA-N 1 0 236.363 2.458 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000926781584 645428295 /nfs/dbraw/zinc/42/82/95/645428295.db2.gz RMHVYOPXZIYVIN-LLVKDONJSA-N 1 0 236.363 2.458 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000848924648 645443532 /nfs/dbraw/zinc/44/35/32/645443532.db2.gz 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CCc1onc(C)c1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000927135755 645564650 /nfs/dbraw/zinc/56/46/50/645564650.db2.gz UFJJFDSJMOXTKL-MNOVXSKESA-N 1 0 233.315 2.327 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000927148375 645571976 /nfs/dbraw/zinc/57/19/76/645571976.db2.gz RCGYANAGOVNPLX-KWBADKCTSA-N 1 0 248.301 2.119 20 30 BEEDRO CCC[C@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927165098 645580186 /nfs/dbraw/zinc/58/01/86/645580186.db2.gz NZUWVKFVUDPNKA-NSHDSACASA-N 1 0 232.331 2.143 20 30 BEEDRO N#Cc1ccc(NCC[NH2+]C2CCCCC2)nc1 ZINC000927168896 645583454 /nfs/dbraw/zinc/58/34/54/645583454.db2.gz LLJPJEMFWDNZRM-UHFFFAOYSA-N 1 0 244.342 2.287 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000862446568 645695988 /nfs/dbraw/zinc/69/59/88/645695988.db2.gz AREBSZCRTWRCEP-ZDUSSCGKSA-N 1 0 243.354 2.065 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC000862446620 645696982 /nfs/dbraw/zinc/69/69/82/645696982.db2.gz BUXBPBNEZTVLRF-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cc3n(n2)CCCC3)C1 ZINC000862446567 645698204 /nfs/dbraw/zinc/69/82/04/645698204.db2.gz AREBSZCRTWRCEP-CYBMUJFWSA-N 1 0 243.354 2.065 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)[C@@H](C)CC)C1CC1 ZINC000877372239 645792683 /nfs/dbraw/zinc/79/26/83/645792683.db2.gz YYOBKSYNGNCXHE-AAEUAGOBSA-N 1 0 209.333 2.145 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(C#N)cn1)OC ZINC000877459850 645796529 /nfs/dbraw/zinc/79/65/29/645796529.db2.gz NOYGWISONSLWKD-BXUZGUMPSA-N 1 0 247.342 2.104 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000877649978 645804004 /nfs/dbraw/zinc/80/40/04/645804004.db2.gz MNPANXZWWZTIDB-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CC=C(C(=O)OC)C1 ZINC000877650805 645806780 /nfs/dbraw/zinc/80/67/80/645806780.db2.gz DXYRHEIRUQXFPB-CQSZACIVSA-N 1 0 249.354 2.422 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CCC2(CCOCC2)O1 ZINC000878491259 645815373 /nfs/dbraw/zinc/81/53/73/645815373.db2.gz XTFOFFSTFNRVAZ-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccn1CCC(C)C ZINC000883124037 645848036 /nfs/dbraw/zinc/84/80/36/645848036.db2.gz TUJNZCJKFBRIEW-CQSZACIVSA-N 1 0 248.370 2.008 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(CCC)c1 ZINC000883124376 645849737 /nfs/dbraw/zinc/84/97/37/645849737.db2.gz FJHJBWFOUZAWBY-HNNXBMFYSA-N 1 0 231.339 2.113 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000886355373 645885141 /nfs/dbraw/zinc/88/51/41/645885141.db2.gz HKZXQRCHZTUJEN-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCOCCCC)C1 ZINC000886355361 645885366 /nfs/dbraw/zinc/88/53/66/645885366.db2.gz HFOVSZJYCAKSGI-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO CC1=C(c2ccco2)C[N@H+](C[C@H](O)CC#N)CC1 ZINC000930349909 645955526 /nfs/dbraw/zinc/95/55/26/645955526.db2.gz CYJVDYQRINKMIK-GFCCVEGCSA-N 1 0 246.310 2.033 20 30 BEEDRO CCCC[NH+](CCCC)C[C@H](O)CC#N ZINC000929140861 645968863 /nfs/dbraw/zinc/96/88/63/645968863.db2.gz ATQYONZKCAKKDH-GFCCVEGCSA-N 1 0 212.337 2.163 20 30 BEEDRO N#CC[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000929166838 645984667 /nfs/dbraw/zinc/98/46/67/645984667.db2.gz BUYUOXMDRQVLIR-OAHLLOKOSA-N 1 0 244.338 2.141 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)[C@H](C)CO1 ZINC000929182747 645991031 /nfs/dbraw/zinc/99/10/31/645991031.db2.gz PTGGHKLLVFRVSM-IWMBGFJWSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000929257149 646039684 /nfs/dbraw/zinc/03/96/84/646039684.db2.gz JVPVOBLASNXDAW-RUXDESIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC[N@H+](CCO)CC1CCC(C#N)CC1 ZINC000929273096 646051005 /nfs/dbraw/zinc/05/10/05/646051005.db2.gz MOGAHWRJRCOQTN-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO CC1CCC([N@H+](C[C@H](O)CC#N)C2CC2)CC1 ZINC000929288036 646063324 /nfs/dbraw/zinc/06/33/24/646063324.db2.gz OKGOORMJRMUCBO-ORHYLEIMSA-N 1 0 236.359 2.304 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000924762912 646102177 /nfs/dbraw/zinc/10/21/77/646102177.db2.gz WZSXKPBQQJSLIQ-IJLUTSLNSA-N 1 0 224.348 2.208 20 30 BEEDRO C=C(C[NH2+][C@H](C)c1cnnn1C)c1ccccc1 ZINC000924842166 646116285 /nfs/dbraw/zinc/11/62/85/646116285.db2.gz QYXNAUKSSGTHPA-GFCCVEGCSA-N 1 0 242.326 2.179 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccco2)C[C@@H]1C ZINC000946991293 646118911 /nfs/dbraw/zinc/11/89/11/646118911.db2.gz ONEPMNCMNMDFEO-NWDGAFQWSA-N 1 0 248.326 2.048 20 30 BEEDRO CC(C)(C)[C@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000925004478 646156039 /nfs/dbraw/zinc/15/60/39/646156039.db2.gz YKRRECNLIIQZCU-CQSZACIVSA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929531738 646177776 /nfs/dbraw/zinc/17/77/76/646177776.db2.gz OQZOOPDKRLSCOJ-NQBHXWOUSA-N 1 0 224.348 2.160 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000929601779 646193422 /nfs/dbraw/zinc/19/34/22/646193422.db2.gz OTBWMYAOOYMDGE-WXRRBKDZSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C1CC[NH+](CCc2ccns2)CC1 ZINC000929605491 646195562 /nfs/dbraw/zinc/19/55/62/646195562.db2.gz XYRXMWOSRWXJLG-UHFFFAOYSA-N 1 0 208.330 2.338 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000925162113 646196787 /nfs/dbraw/zinc/19/67/87/646196787.db2.gz UCMOMGZIHVAHKB-AWEZNQCLSA-N 1 0 221.344 2.195 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000925162302 646197669 /nfs/dbraw/zinc/19/76/69/646197669.db2.gz UNILDFQWCSCBBB-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000925159770 646197767 /nfs/dbraw/zinc/19/77/67/646197767.db2.gz IKRPVJMKVLWBBB-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CC1CC[NH+](C/C=C(/C)COC)CC1 ZINC000929617891 646200208 /nfs/dbraw/zinc/20/02/08/646200208.db2.gz DOFIIEQASMLBOM-XGICHPGQSA-N 1 0 209.333 2.477 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000925255500 646221113 /nfs/dbraw/zinc/22/11/13/646221113.db2.gz FNZHNAZNRQTSCL-GHMZBOCLSA-N 1 0 219.332 2.445 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929659259 646228538 /nfs/dbraw/zinc/22/85/38/646228538.db2.gz GJEVGKXWNQNKLB-RUXDESIVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925351988 646250859 /nfs/dbraw/zinc/25/08/59/646250859.db2.gz MXGGPESQCULQGW-GDNZZTSVSA-N 1 0 229.389 2.166 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1c(C)noc1C ZINC000925456562 646285809 /nfs/dbraw/zinc/28/58/09/646285809.db2.gz YIXYUZJFVWLOJE-SECBINFHSA-N 1 0 238.356 2.308 20 30 BEEDRO C#CC[NH+](CC#C)CCCCC1(C#N)CCC1 ZINC000929756819 646289415 /nfs/dbraw/zinc/28/94/15/646289415.db2.gz AWARBRWRZFXHKX-UHFFFAOYSA-N 1 0 228.339 2.419 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000929788124 646303302 /nfs/dbraw/zinc/30/33/02/646303302.db2.gz PDJROGKETYAJTF-VHSXEESVSA-N 1 0 235.249 2.051 20 30 BEEDRO C#CC[N@H+](CC)CCc1cccc(F)c1 ZINC000929786085 646313669 /nfs/dbraw/zinc/31/36/69/646313669.db2.gz DBLWOPAKWXAMEG-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000925526728 646318303 /nfs/dbraw/zinc/31/83/03/646318303.db2.gz KVZGQWCNSDRYPR-GJZGRUSLSA-N 1 0 234.387 2.396 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925532655 646319602 /nfs/dbraw/zinc/31/96/02/646319602.db2.gz UBUNVHYYJOXREI-KGLIPLIRSA-N 1 0 241.375 2.230 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCc1cccnc1 ZINC000929830201 646346858 /nfs/dbraw/zinc/34/68/58/646346858.db2.gz BRTZPGKPAMNCAX-LBPRGKRZSA-N 1 0 217.316 2.248 20 30 BEEDRO CCCCC[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000929852139 646360610 /nfs/dbraw/zinc/36/06/10/646360610.db2.gz CFKYCCVFMOWJIL-CHWSQXEVSA-N 1 0 224.348 2.306 20 30 BEEDRO C=C(CN[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925636202 646379879 /nfs/dbraw/zinc/37/98/79/646379879.db2.gz RRDRDNAZQPXIKB-UKRRQHHQSA-N 1 0 230.355 2.430 20 30 BEEDRO C[C@H]([NH3+])[C@@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000925654270 646391131 /nfs/dbraw/zinc/39/11/31/646391131.db2.gz FRFVLAYIDOJGGH-GXTWGEPZSA-N 1 0 243.354 2.358 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000930011677 646392096 /nfs/dbraw/zinc/39/20/96/646392096.db2.gz IVMHHDOCDKNSMT-GFCCVEGCSA-N 1 0 238.375 2.060 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000925692810 646417838 /nfs/dbraw/zinc/41/78/38/646417838.db2.gz BLZXHGFGDKZFKB-VXGBXAGGSA-N 1 0 224.348 2.089 20 30 BEEDRO CC(C)[C@H](C#N)N1CC[NH+](CC2CC(C)C2)CC1 ZINC000930116472 646440177 /nfs/dbraw/zinc/44/01/77/646440177.db2.gz XBOGGZBYEZZYEC-NRXISQOPSA-N 1 0 249.402 2.198 20 30 BEEDRO C[C@]1(O)CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000930147809 646461042 /nfs/dbraw/zinc/46/10/42/646461042.db2.gz XXNUXCISWGGEQZ-RUXDESIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H](NCCC(C)(C)[NH3+])c1ccc(C#N)cc1F ZINC000925742878 646463687 /nfs/dbraw/zinc/46/36/87/646463687.db2.gz YGLYWEUJBCEJRF-SNVBAGLBSA-N 1 0 249.333 2.475 20 30 BEEDRO C=CC[N@@H+](C[C@](O)(CC)C(F)(F)F)C1CC1 ZINC000930175504 646476806 /nfs/dbraw/zinc/47/68/06/646476806.db2.gz LNQAKYCVVFEWNV-SNVBAGLBSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CC[N@@H+](C[C@@](O)(CC)C(F)(F)F)C1CC1 ZINC000930175503 646477033 /nfs/dbraw/zinc/47/70/33/646477033.db2.gz LNQAKYCVVFEWNV-JTQLQIEISA-N 1 0 237.265 2.340 20 30 BEEDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CC#N)cc1 ZINC000930187381 646484454 /nfs/dbraw/zinc/48/44/54/646484454.db2.gz GIAQWJQBCXKWRY-DGCLKSJQSA-N 1 0 248.326 2.010 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CNCC[C@H]2C)CC1 ZINC000925835400 646503287 /nfs/dbraw/zinc/50/32/87/646503287.db2.gz OPQDUPGOPJEEIK-TZMCWYRMSA-N 1 0 222.376 2.320 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)C1(Br)CC1 ZINC000926131820 646577324 /nfs/dbraw/zinc/57/73/24/646577324.db2.gz GVFZWQSKPUJXKJ-QMMMGPOBSA-N 1 0 231.137 2.196 20 30 BEEDRO C=CCOCC[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000926117039 646577919 /nfs/dbraw/zinc/57/79/19/646577919.db2.gz VOHGOTWNJCDDNI-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)C1(Br)CC1 ZINC000926131819 646582551 /nfs/dbraw/zinc/58/25/51/646582551.db2.gz GVFZWQSKPUJXKJ-MRVPVSSYSA-N 1 0 231.137 2.196 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000926152361 646583408 /nfs/dbraw/zinc/58/34/08/646583408.db2.gz HFGLJOINVSQQRW-MNOVXSKESA-N 1 0 249.310 2.003 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926152501 646584662 /nfs/dbraw/zinc/58/46/62/646584662.db2.gz IINNEVDJUSHSAH-DGCLKSJQSA-N 1 0 249.358 2.196 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1ccnnc1 ZINC000926201193 646594084 /nfs/dbraw/zinc/59/40/84/646594084.db2.gz ZVXGFZFMFWMRLV-LLVKDONJSA-N 1 0 205.305 2.484 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCCC[C@@H]1O ZINC000926226601 646599313 /nfs/dbraw/zinc/59/93/13/646599313.db2.gz WUSPOOUIROIJSF-SRVKXCTJSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926323728 646616355 /nfs/dbraw/zinc/61/63/55/646616355.db2.gz LBOTYJKSCKPKEB-PNESKVBLSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ncnn21 ZINC000926426588 646636554 /nfs/dbraw/zinc/63/65/54/646636554.db2.gz JSAGATCSMYYNDZ-QWRGUYRKSA-N 1 0 247.346 2.203 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cn(C)cn1 ZINC000926511858 646669150 /nfs/dbraw/zinc/66/91/50/646669150.db2.gz IGDRDJGSXOBGPW-WOPDTQHZSA-N 1 0 232.331 2.153 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cn(C)cn1 ZINC000926511857 646669419 /nfs/dbraw/zinc/66/94/19/646669419.db2.gz IGDRDJGSXOBGPW-SRVKXCTJSA-N 1 0 232.331 2.153 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@@H]1C ZINC000926511802 646669946 /nfs/dbraw/zinc/66/99/46/646669946.db2.gz GYMWEVAABPGEOF-MOLYVOAJSA-N 1 0 222.332 2.082 20 30 BEEDRO N#CCC[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000725639158 711667631 /nfs/dbraw/zinc/66/76/31/711667631.db2.gz DTVVKVLKDITZPQ-NSHDSACASA-N 1 0 210.346 2.118 20 30 BEEDRO CCC[N@H+](Cc1cncc(C#N)c1)C1CC1 ZINC000721613462 711670862 /nfs/dbraw/zinc/67/08/62/711670862.db2.gz AEJBNZHSWGNYTK-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721614307 711670883 /nfs/dbraw/zinc/67/08/83/711670883.db2.gz JDIKQDCFXJMVOV-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000335008303 711719207 /nfs/dbraw/zinc/71/92/07/711719207.db2.gz SBBXMXCIOPDBOT-DGCLKSJQSA-N 1 0 216.328 2.493 20 30 BEEDRO C=C(Cl)CN(C)[C@@H]1CCCN(C(=O)CC)C1 ZINC001027256349 711721609 /nfs/dbraw/zinc/72/16/09/711721609.db2.gz BDZSFRULQHTQDM-LLVKDONJSA-N 1 0 244.766 2.072 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCOC[C@H](O)C1 ZINC000399887097 711763341 /nfs/dbraw/zinc/76/33/41/711763341.db2.gz VYSXFTSSZSJCKB-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO C#CC[N@H+](Cc1cnc(F)c(C)c1)C(C)C ZINC000897170630 711784747 /nfs/dbraw/zinc/78/47/47/711784747.db2.gz DHGOTWYWIJVQMI-UHFFFAOYSA-N 1 0 220.291 2.373 20 30 BEEDRO CCO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)C#N)C1 ZINC000721263762 711804960 /nfs/dbraw/zinc/80/49/60/711804960.db2.gz VXCLXPNEADNSFW-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000701905639 712032147 /nfs/dbraw/zinc/03/21/47/712032147.db2.gz LTFOOUHATGLTIQ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO CCCCCCCNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000703782758 712087573 /nfs/dbraw/zinc/08/75/73/712087573.db2.gz NVTVZTHVXJFNGV-NSHDSACASA-N 1 0 226.364 2.214 20 30 BEEDRO CCNC(NC[C@@H]1CCCC12CC2)=[NH+]CC ZINC000706205360 712141105 /nfs/dbraw/zinc/14/11/05/712141105.db2.gz IBMYNVSLYZVCLN-NSHDSACASA-N 1 0 223.364 2.142 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(Cl)cn1 ZINC000707358223 712168588 /nfs/dbraw/zinc/16/85/88/712168588.db2.gz ABQOEYVGBASLPU-UHFFFAOYSA-N 1 0 208.692 2.238 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000709986963 712237210 /nfs/dbraw/zinc/23/72/10/712237210.db2.gz RFXIMXNHGOUXSE-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000710960894 712268315 /nfs/dbraw/zinc/26/83/15/712268315.db2.gz CAGMCGVFOGBBDP-UHFFFAOYSA-N 1 0 222.357 2.012 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC1(OC)OC ZINC000711040067 712275582 /nfs/dbraw/zinc/27/55/82/712275582.db2.gz FSJXRUYDDOBJAF-NSHDSACASA-N 1 0 227.348 2.330 20 30 BEEDRO CO[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000378769320 712360374 /nfs/dbraw/zinc/36/03/74/712360374.db2.gz DZPVPMMKLNDNGE-QMMMGPOBSA-N 1 0 202.257 2.340 20 30 BEEDRO CCC(=[NH+]OCCOC)c1cccc(N)c1 ZINC000378857100 712363704 /nfs/dbraw/zinc/36/37/04/712363704.db2.gz LHFRPIBMDIGEQK-UHFFFAOYSA-N 1 0 222.288 2.046 20 30 BEEDRO C#CCCCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000379728219 712393059 /nfs/dbraw/zinc/39/30/59/712393059.db2.gz ATPGPUYXGYYQGU-CQSZACIVSA-N 1 0 233.359 2.301 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000712377755 712428374 /nfs/dbraw/zinc/42/83/74/712428374.db2.gz OUMFDPJTLQILAQ-STQMWFEESA-N 1 0 221.344 2.480 20 30 BEEDRO COc1ccccc1C[C@@H](C)[NH2+]CCC#N ZINC000037240260 712556584 /nfs/dbraw/zinc/55/65/84/712556584.db2.gz SPXVECLXAGCOPC-LLVKDONJSA-N 1 0 218.300 2.129 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(C#N)s1 ZINC000716796067 712574483 /nfs/dbraw/zinc/57/44/83/712574483.db2.gz FRUNGWIYGKMIJS-NXEZZACHSA-N 1 0 238.356 2.259 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CCC(C)(C)C1 ZINC000716928698 712596641 /nfs/dbraw/zinc/59/66/41/712596641.db2.gz MAJQDMXKEHPBTF-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CCC(F)(F)CC1 ZINC000716956267 712600020 /nfs/dbraw/zinc/60/00/20/712600020.db2.gz HWUKQYGBVGQVDZ-LLVKDONJSA-N 1 0 231.286 2.192 20 30 BEEDRO C[C@@H]([N@@H+](C)CCO[C@@H](C)C#N)C(C)(C)C ZINC000379818425 712611828 /nfs/dbraw/zinc/61/18/28/712611828.db2.gz ROEQBUNAQLXPPQ-WDEREUQCSA-N 1 0 212.337 2.281 20 30 BEEDRO C=CCC1(O)CC[NH+](CCCSC)CC1 ZINC000717493707 712659921 /nfs/dbraw/zinc/65/99/21/712659921.db2.gz GYUHBKWDFXOVIE-UHFFFAOYSA-N 1 0 229.389 2.143 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](CCC)C1CCCC1 ZINC000717698708 712665337 /nfs/dbraw/zinc/66/53/37/712665337.db2.gz JRPKROPIDXORAG-KBPBESRZSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CCCC12CCCCC2 ZINC000717698645 712665366 /nfs/dbraw/zinc/66/53/66/712665366.db2.gz JABCBXQNIRUWMD-UONOGXRCSA-N 1 0 235.371 2.463 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](CCC)C1CCC1 ZINC000717710515 712666307 /nfs/dbraw/zinc/66/63/07/712666307.db2.gz QBXOFKUGMJXKCV-KGLIPLIRSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000717748349 712668832 /nfs/dbraw/zinc/66/88/32/712668832.db2.gz IPUHQUXJFPWNJU-FRRDWIJNSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cc1cccs1 ZINC000717741799 712668406 /nfs/dbraw/zinc/66/84/06/712668406.db2.gz ZFPUUMUTZSKDTK-NEPJUHHUSA-N 1 0 237.368 2.043 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(Cl)nc1 ZINC000380207966 712725446 /nfs/dbraw/zinc/72/54/46/712725446.db2.gz XKJCWYBYFJWHOC-UHFFFAOYSA-N 1 0 226.707 2.027 20 30 BEEDRO C=CCN(C(=O)CC[NH2+]C(C)(C)C)C(C)C ZINC000037817789 712764753 /nfs/dbraw/zinc/76/47/53/712764753.db2.gz KANXMFNUPGMIDX-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718812713 712783375 /nfs/dbraw/zinc/78/33/75/712783375.db2.gz MHFXWOPOARDKIJ-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718842164 712785361 /nfs/dbraw/zinc/78/53/61/712785361.db2.gz MSRKMIKHVHMRND-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC1 ZINC001754299944 1166225761 /nfs/dbraw/zinc/22/57/61/1166225761.db2.gz ZSJRGHSNSVSUFI-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](CCO)C1CC1 ZINC000380361941 712897655 /nfs/dbraw/zinc/89/76/55/712897655.db2.gz YVXDLFIYRSFPLE-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ncccc1C ZINC000384130111 710642693 /nfs/dbraw/zinc/64/26/93/710642693.db2.gz AIGVURPQGZRGNT-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO c1ccc2c(c1)NCCCC2=[NH+]NC1CC1 ZINC000381532782 710651704 /nfs/dbraw/zinc/65/17/04/710651704.db2.gz ZVNPLGIOTOJDBN-UHFFFAOYSA-N 1 0 215.300 2.348 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC=CO2)C1 ZINC000381578602 710656808 /nfs/dbraw/zinc/65/68/08/710656808.db2.gz DJCKSASIUBBHOP-UPJWGTAASA-N 1 0 220.316 2.351 20 30 BEEDRO CC(=[NH+]NCC(F)F)c1ccc(N)cc1C ZINC000381624377 710663050 /nfs/dbraw/zinc/66/30/50/710663050.db2.gz KFEJCQSNIFVBLP-UHFFFAOYSA-N 1 0 227.258 2.156 20 30 BEEDRO COC[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000721743303 710683344 /nfs/dbraw/zinc/68/33/44/710683344.db2.gz CENXGQRNOKODAF-OLZOCXBDSA-N 1 0 224.348 2.141 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000724156593 710738338 /nfs/dbraw/zinc/73/83/38/710738338.db2.gz KSEQOMJLXKWAHA-UONOGXRCSA-N 1 0 230.311 2.167 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000722582140 710717038 /nfs/dbraw/zinc/71/70/38/710717038.db2.gz JTSJHJILEDYHTJ-NEPJUHHUSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC1 ZINC001039318626 710725274 /nfs/dbraw/zinc/72/52/74/710725274.db2.gz RBYMYISNNAPLOU-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000724156591 710738039 /nfs/dbraw/zinc/73/80/39/710738039.db2.gz KSEQOMJLXKWAHA-KBPBESRZSA-N 1 0 230.311 2.167 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@@H]21 ZINC001042002698 710773059 /nfs/dbraw/zinc/77/30/59/710773059.db2.gz KSLWDPZOAIJGLC-YCYRZOEZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(F)cc1C ZINC000382108464 710786166 /nfs/dbraw/zinc/78/61/66/710786166.db2.gz JKFXJBBKICFHMA-ZYHUDNBSSA-N 1 0 223.291 2.332 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1nc2ccccc2n1C ZINC000384182914 710806682 /nfs/dbraw/zinc/80/66/82/710806682.db2.gz QUUDOWHNZLJDMF-HNNXBMFYSA-N 1 0 241.338 2.465 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C#N)o1 ZINC000384183621 710807767 /nfs/dbraw/zinc/80/77/67/710807767.db2.gz RFRQYLIQJQUSID-GFCCVEGCSA-N 1 0 202.257 2.043 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC1(COC)CCC1 ZINC000384197023 710821873 /nfs/dbraw/zinc/82/18/73/710821873.db2.gz YOOFRSDCXFXEGC-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)C)[C@H](C)C1 ZINC001044469184 710827092 /nfs/dbraw/zinc/82/70/92/710827092.db2.gz CAPATODDGNHJPM-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)C)[C@@H](C)C1 ZINC001044423404 710827349 /nfs/dbraw/zinc/82/73/49/710827349.db2.gz VUHOXYMHASWZHL-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000383029140 710841735 /nfs/dbraw/zinc/84/17/35/710841735.db2.gz CFJJVBSYKYMECZ-UONOGXRCSA-N 1 0 236.403 2.356 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C2CC=CC2)C1 ZINC001046208387 710854282 /nfs/dbraw/zinc/85/42/82/710854282.db2.gz QVAPEVGLOBBWHC-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CCOC1 ZINC000903109477 710892899 /nfs/dbraw/zinc/89/28/99/710892899.db2.gz PPWOALVVRUDXAL-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO COC[C@@H]([NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000903102439 710891317 /nfs/dbraw/zinc/89/13/17/710891317.db2.gz ZQLWKGOJGFJBQN-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000903102363 710891386 /nfs/dbraw/zinc/89/13/86/710891386.db2.gz WYMJRHRKMDGVNM-STQMWFEESA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284100 710899156 /nfs/dbraw/zinc/89/91/56/710899156.db2.gz DSUMQMVFBZCVPG-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC1 ZINC001049284101 710899493 /nfs/dbraw/zinc/89/94/93/710899493.db2.gz DSUMQMVFBZCVPG-UONOGXRCSA-N 1 0 248.370 2.038 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](CO)C1 ZINC000396838158 710908190 /nfs/dbraw/zinc/90/81/90/710908190.db2.gz GABFZXPWXHSDBC-ZIAGYGMSSA-N 1 0 243.391 2.022 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C=C2CCC2)C[C@H]1C ZINC001054549821 710938642 /nfs/dbraw/zinc/93/86/42/710938642.db2.gz CCRPZSAJBXQWGC-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C(C)C)CC1 ZINC001052212410 710963821 /nfs/dbraw/zinc/96/38/21/710963821.db2.gz RRAIRRUJXLBPGF-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000383847106 710965474 /nfs/dbraw/zinc/96/54/74/710965474.db2.gz LGRBZWUSYJLLCY-LLVKDONJSA-N 1 0 231.343 2.336 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000383847107 710965552 /nfs/dbraw/zinc/96/55/52/710965552.db2.gz LGRBZWUSYJLLCY-NSHDSACASA-N 1 0 231.343 2.336 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000383366475 710980663 /nfs/dbraw/zinc/98/06/63/710980663.db2.gz VHHSSWRBKGVZPG-BXUZGUMPSA-N 1 0 230.311 2.477 20 30 BEEDRO C[C@@H]1[C@@H](N(C)C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000384128870 710988810 /nfs/dbraw/zinc/98/88/10/710988810.db2.gz JBQJRHDQDBYTRY-OLZOCXBDSA-N 1 0 237.391 2.341 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C)nc1 ZINC000384156497 710989879 /nfs/dbraw/zinc/98/98/79/710989879.db2.gz IMNHGJFLLIBTNQ-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000384138893 710990693 /nfs/dbraw/zinc/99/06/93/710990693.db2.gz FHAOGXSGBNQPIT-OAHLLOKOSA-N 1 0 244.338 2.325 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000384172306 710991428 /nfs/dbraw/zinc/99/14/28/710991428.db2.gz NFDFSJVNIDICST-ZDUSSCGKSA-N 1 0 232.283 2.486 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C)cn1 ZINC000384169584 710991453 /nfs/dbraw/zinc/99/14/53/710991453.db2.gz MJUBPUNNTPJFIA-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC1CCOCC1 ZINC000384194685 710991886 /nfs/dbraw/zinc/99/18/86/710991886.db2.gz XKAZDFVLKMDFRQ-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000384236088 710993215 /nfs/dbraw/zinc/99/32/15/710993215.db2.gz ZBLJFGCDIMDLMI-WFASDCNBSA-N 1 0 244.338 2.405 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccncc1C ZINC000385270452 711009859 /nfs/dbraw/zinc/00/98/59/711009859.db2.gz ZWPXXXDUTSCYMN-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C#CCN(C)CCC[NH2+]C/C=C/c1ccccc1 ZINC000385676928 711016895 /nfs/dbraw/zinc/01/68/95/711016895.db2.gz ZZFLRWXUYNQJCB-YRNVUSSQSA-N 1 0 242.366 2.245 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCC#N)cc1)[C@H](C)O ZINC000386966611 711039669 /nfs/dbraw/zinc/03/96/69/711039669.db2.gz FOLZXOHVLFMONQ-WOPDTQHZSA-N 1 0 248.326 2.009 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000389362857 711077023 /nfs/dbraw/zinc/07/70/23/711077023.db2.gz TUBKMSYBKDJQOF-NEPJUHHUSA-N 1 0 209.358 2.131 20 30 BEEDRO C=C(Cl)CNCc1cc(C(F)(F)F)n[nH]1 ZINC000389964179 711100998 /nfs/dbraw/zinc/10/09/98/711100998.db2.gz WYGUGXBZIFYHBH-UHFFFAOYSA-N 1 0 239.628 2.271 20 30 BEEDRO N#CC1(CNCc2ccc(Cl)nc2)CC1 ZINC000389962922 711101195 /nfs/dbraw/zinc/10/11/95/711101195.db2.gz WJXIKFYNCXHZJQ-UHFFFAOYSA-N 1 0 221.691 2.128 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)[C@@H]1CCCO1 ZINC000390146555 711105926 /nfs/dbraw/zinc/10/59/26/711105926.db2.gz RGTYUINBLVEVPA-FQUUOJAGSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@@H]1CCCO1 ZINC000390169241 711107547 /nfs/dbraw/zinc/10/75/47/711107547.db2.gz GJFDHIGTYGZSRV-AVGNSLFASA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CC[C@@H](O)c1ccccc1 ZINC000390316324 711112727 /nfs/dbraw/zinc/11/27/27/711112727.db2.gz HJAJWQXHRZVTQA-WCQYABFASA-N 1 0 218.300 2.002 20 30 BEEDRO CCCCCCCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000390493124 711122192 /nfs/dbraw/zinc/12/21/92/711122192.db2.gz QDQRSQZZZGXOAU-NWDGAFQWSA-N 1 0 226.364 2.214 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000390529626 711123734 /nfs/dbraw/zinc/12/37/34/711123734.db2.gz IAFPBXQKIYJGES-GXTWGEPZSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C(C)(C)CC)CC1 ZINC000072252751 711126400 /nfs/dbraw/zinc/12/64/00/711126400.db2.gz HFHVSYBOYRSRRA-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000390631874 711129991 /nfs/dbraw/zinc/12/99/91/711129991.db2.gz LFQYWGVNCSIDDO-QNWHQSFQSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000392769427 711152535 /nfs/dbraw/zinc/15/25/35/711152535.db2.gz BFWALJYUGOPHOY-JKSUJKDBSA-N 1 0 248.414 2.500 20 30 BEEDRO CC(C)[N@H+](CCO[C@@H](C)C#N)CC1CC1 ZINC000393819120 711176025 /nfs/dbraw/zinc/17/60/25/711176025.db2.gz INDSMJLOQSVKKJ-NSHDSACASA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C2CC=CC2)CC[C@@H]1C ZINC001071401676 711191427 /nfs/dbraw/zinc/19/14/27/711191427.db2.gz OQMTWVMYUQIEAQ-GXTWGEPZSA-N 1 0 248.370 2.108 20 30 BEEDRO CCNC(NCCC1CCCC1)=[NH+]CC ZINC000395633233 711213971 /nfs/dbraw/zinc/21/39/71/711213971.db2.gz QNIPAHBVOCEYLU-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C(C)(C)C)CC[C@H]1C ZINC001072011958 711214089 /nfs/dbraw/zinc/21/40/89/711214089.db2.gz GJEGDARGCJNVOP-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO CCNC(NCC(C)(C)C1CCC1)=[NH+]CC ZINC000395686404 711214647 /nfs/dbraw/zinc/21/46/47/711214647.db2.gz URRUUKYMRYQNJJ-UHFFFAOYSA-N 1 0 225.380 2.388 20 30 BEEDRO CCNC(NC[C@@H](C)C(C)(C)C)=[NH+]CC ZINC000395702631 711214745 /nfs/dbraw/zinc/21/47/45/711214745.db2.gz GKVVWFWEXQDEIN-SNVBAGLBSA-N 1 0 213.369 2.244 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000397591788 711387598 /nfs/dbraw/zinc/38/75/98/711387598.db2.gz CFDQLELVWCMOHT-CYBMUJFWSA-N 1 0 224.348 2.165 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000398092613 711400370 /nfs/dbraw/zinc/40/03/70/711400370.db2.gz YQIBTNWWTZEXAB-XQQFMLRXSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C1CCS(=O)CC1 ZINC000398051691 711400811 /nfs/dbraw/zinc/40/08/11/711400811.db2.gz ASNFTYWMPZKSDD-XIKARTHZSA-N 1 0 229.389 2.232 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000398693293 711414547 /nfs/dbraw/zinc/41/45/47/711414547.db2.gz SRCIQWHNDPBYED-KBPBESRZSA-N 1 0 231.339 2.035 20 30 BEEDRO C[C@@H](O)C[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000398693298 711415170 /nfs/dbraw/zinc/41/51/70/711415170.db2.gz SRCIQWHNDPBYED-ZIAGYGMSSA-N 1 0 231.339 2.035 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000383681415 710597370 /nfs/dbraw/zinc/59/73/70/710597370.db2.gz QVNWFVQVUPBBRV-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000381457436 710638924 /nfs/dbraw/zinc/63/89/24/710638924.db2.gz JUJLJJFYHXQIDF-OLZOCXBDSA-N 1 0 241.400 2.148 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC1(CC#N)CC1 ZINC000381485875 710644949 /nfs/dbraw/zinc/64/49/49/710644949.db2.gz VIJWFCHFYOLCJJ-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]C(C)C ZINC001045146983 710835503 /nfs/dbraw/zinc/83/55/03/710835503.db2.gz BUVPKMQZCJODLV-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)c2ccoc2)C1 ZINC001046144629 710852334 /nfs/dbraw/zinc/85/23/34/710852334.db2.gz ABTBTFMKKVPBSV-AWEZNQCLSA-N 1 0 248.326 2.050 20 30 BEEDRO CCO[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000903109450 710892038 /nfs/dbraw/zinc/89/20/38/710892038.db2.gz PIUXGKPPCXOCEB-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)NCC#Cc1ccccc1 ZINC000386585568 711032500 /nfs/dbraw/zinc/03/25/00/711032500.db2.gz IGMBRDQWCTZEJX-HNNXBMFYSA-N 1 0 244.382 2.356 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)NCC#Cc1ccccc1 ZINC000386585572 711032907 /nfs/dbraw/zinc/03/29/07/711032907.db2.gz IGMBRDQWCTZEJX-OAHLLOKOSA-N 1 0 244.382 2.356 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2ccoc2)CC[C@@H]1C ZINC001071347690 711188288 /nfs/dbraw/zinc/18/82/88/711188288.db2.gz PEAYOJXXRMQTKL-AAEUAGOBSA-N 1 0 248.326 2.048 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397667030 711388850 /nfs/dbraw/zinc/38/88/50/711388850.db2.gz LOUGVIAPDXXFIM-QDMKHBRRSA-N 1 0 211.308 2.426 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@]1(C)CO ZINC000723045737 711497902 /nfs/dbraw/zinc/49/79/02/711497902.db2.gz WAZMVFUEWQEIBO-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000933246969 711508014 /nfs/dbraw/zinc/50/80/14/711508014.db2.gz OCTCTXBPHHTMPS-LBPRGKRZSA-N 1 0 230.783 2.401 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCN1CCC(C)CC1 ZINC000723451479 711511495 /nfs/dbraw/zinc/51/14/95/711511495.db2.gz IMBNTQKACFZNKZ-AWEZNQCLSA-N 1 0 222.376 2.110 20 30 BEEDRO C#C[C@H]([NH2+]Cc1oc(C)nc1C)C(C)C ZINC000723608884 711525053 /nfs/dbraw/zinc/52/50/53/711525053.db2.gz KXCZZRZTZHLKFC-NSHDSACASA-N 1 0 206.289 2.039 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723609901 711525073 /nfs/dbraw/zinc/52/50/73/711525073.db2.gz CDFUDCYHBKYSPR-YNEHKIRRSA-N 1 0 234.343 2.085 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723626636 711526943 /nfs/dbraw/zinc/52/69/43/711526943.db2.gz CBJBDYVYMXGXOS-MELADBBJSA-N 1 0 221.344 2.195 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723991570 711551737 /nfs/dbraw/zinc/55/17/37/711551737.db2.gz DJNSRUNNTPLTOX-QWHCGFSZSA-N 1 0 234.343 2.085 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723994330 711552317 /nfs/dbraw/zinc/55/23/17/711552317.db2.gz MIJGKPOWOOCMHF-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000724156020 711565370 /nfs/dbraw/zinc/56/53/70/711565370.db2.gz IRFFGGUVOLQEDR-KBPBESRZSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1cccc(C#N)c1F ZINC000724158391 711565487 /nfs/dbraw/zinc/56/54/87/711565487.db2.gz OCMGWPFYDODAMD-CHWSQXEVSA-N 1 0 248.301 2.307 20 30 BEEDRO C=CC[C@H]1CCN1Cc1csc(COC)n1 ZINC000934469334 711587375 /nfs/dbraw/zinc/58/73/75/711587375.db2.gz SJTMEZWOGSJLOZ-NSHDSACASA-N 1 0 238.356 2.440 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)N1CCC[C@H]1C ZINC000934469432 711587383 /nfs/dbraw/zinc/58/73/83/711587383.db2.gz UJWXPKCYNBTXPZ-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC000972244735 711591189 /nfs/dbraw/zinc/59/11/89/711591189.db2.gz HDEORPUAVYEECL-TZMCWYRMSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511990 711619370 /nfs/dbraw/zinc/61/93/70/711619370.db2.gz IUZQZGUDSRCARP-CYDGBPFRSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000383366479 711644226 /nfs/dbraw/zinc/64/42/26/711644226.db2.gz VHHSSWRBKGVZPG-SMDDNHRTSA-N 1 0 230.311 2.477 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000721573221 711648940 /nfs/dbraw/zinc/64/89/40/711648940.db2.gz SWGJGHBXIZNAKA-AWEZNQCLSA-N 1 0 227.311 2.328 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](CCO)C1CCCC1 ZINC000725076173 711649675 /nfs/dbraw/zinc/64/96/75/711649675.db2.gz BKWMSDLQHYCIBX-DGCLKSJQSA-N 1 0 224.348 2.209 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000721615333 711670933 /nfs/dbraw/zinc/67/09/33/711670933.db2.gz QMXFCCDTCJHOPX-LBPRGKRZSA-N 1 0 215.300 2.231 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000721623745 711671482 /nfs/dbraw/zinc/67/14/82/711671482.db2.gz NRNUCRXFSRQFSV-AWEZNQCLSA-N 1 0 227.311 2.185 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721624511 711671712 /nfs/dbraw/zinc/67/17/12/711671712.db2.gz USTXFOOUVYSDIQ-QWRGUYRKSA-N 1 0 217.316 2.477 20 30 BEEDRO C=CCC[N@H+]1C[C@@H]2CCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001075515816 711680332 /nfs/dbraw/zinc/68/03/32/711680332.db2.gz DTEKYFGSNQCKFI-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO OC[C@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC000893132540 711694227 /nfs/dbraw/zinc/69/42/27/711694227.db2.gz QHVUMXDMJAAUFL-IYBDPMFKSA-N 1 0 243.350 2.179 20 30 BEEDRO C#CCCC[NH2+][C@@H](CO)c1sccc1C ZINC000309200265 711695305 /nfs/dbraw/zinc/69/53/05/711695305.db2.gz REUUTYUENIOLKT-NSHDSACASA-N 1 0 223.341 2.093 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CC1)[C@@H]1CCCO1 ZINC000309761722 711700772 /nfs/dbraw/zinc/70/07/72/711700772.db2.gz MSNSQQYBQPCJOG-UBHSHLNASA-N 1 0 221.344 2.336 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000385441958 711710160 /nfs/dbraw/zinc/71/01/60/711710160.db2.gz UBNLDZYUJJDWMH-HUUCEWRRSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001027297306 711726272 /nfs/dbraw/zinc/72/62/72/711726272.db2.gz CFIUEOYQNQPBIM-ZDUSSCGKSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccco1 ZINC001027724255 711733436 /nfs/dbraw/zinc/73/34/36/711733436.db2.gz QFHKPYRBXIZOJF-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@]1(C)CC ZINC000895100037 711776431 /nfs/dbraw/zinc/77/64/31/711776431.db2.gz NSAIFKJITQMBBW-MCIONIFRSA-N 1 0 223.360 2.319 20 30 BEEDRO C[NH+]1CCC(CNc2cccc(C#N)c2)CC1 ZINC000054239878 711782690 /nfs/dbraw/zinc/78/26/90/711782690.db2.gz UQRKWLOSHKPWQS-UHFFFAOYSA-N 1 0 229.327 2.312 20 30 BEEDRO CCC(CC)(CC)CNC(=[NH2+])N[C@H](C)COC ZINC000305044567 711785686 /nfs/dbraw/zinc/78/56/86/711785686.db2.gz KSIADKZIXLZCPB-LLVKDONJSA-N 1 0 243.395 2.142 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C=C\C2CC2)C1 ZINC000988461429 711795147 /nfs/dbraw/zinc/79/51/47/711795147.db2.gz PYCKYRZSUJWNSQ-PFBXESSKSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@](C)(OC)C1CC1 ZINC000379370613 711800731 /nfs/dbraw/zinc/80/07/31/711800731.db2.gz RUZYNXLGAPNTTR-SNVBAGLBSA-N 1 0 203.713 2.144 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C#N)cc1 ZINC000927146628 711802352 /nfs/dbraw/zinc/80/23/52/711802352.db2.gz GQKZWRPBSALSJT-BPLDGKMQSA-N 1 0 244.338 2.370 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(F)cc1F ZINC000160673022 711809610 /nfs/dbraw/zinc/80/96/10/711809610.db2.gz KTGGPTLPTMXGSI-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000166727562 711827550 /nfs/dbraw/zinc/82/75/50/711827550.db2.gz JSXFISDHUFNYSQ-NEPJUHHUSA-N 1 0 207.317 2.090 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CCO1 ZINC000225801720 711829608 /nfs/dbraw/zinc/82/96/08/711829608.db2.gz MFLYSRLIOPYTGS-UKRRQHHQSA-N 1 0 229.323 2.195 20 30 BEEDRO CC[N@H+](CCC#N)C[C@@H](COC)C(C)C ZINC000721732407 711831321 /nfs/dbraw/zinc/83/13/21/711831321.db2.gz DAJNHHGGYQYQCT-LBPRGKRZSA-N 1 0 212.337 2.141 20 30 BEEDRO N#CCCNCc1cc(O)cc(C(F)(F)F)c1 ZINC000356387634 711930889 /nfs/dbraw/zinc/93/08/89/711930889.db2.gz GSZFHRQAVWEGDF-UHFFFAOYSA-N 1 0 244.216 2.414 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]Cc1csc(C#N)c1 ZINC000921749160 711938856 /nfs/dbraw/zinc/93/88/56/711938856.db2.gz JIMKIQNZFBBQKO-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO N#Cc1cc(C[NH2+]C2CC=CC2)cs1 ZINC000921839797 711944893 /nfs/dbraw/zinc/94/48/93/711944893.db2.gz OHRBUVQFEIRGPO-UHFFFAOYSA-N 1 0 204.298 2.428 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](SC)C1 ZINC000922215677 711960415 /nfs/dbraw/zinc/96/04/15/711960415.db2.gz DUOMNMBSELERIQ-UPJWGTAASA-N 1 0 241.400 2.025 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccoc2)C1 ZINC001032907083 711966934 /nfs/dbraw/zinc/96/69/34/711966934.db2.gz UHSWUZKDGWIRCT-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC=CC2)C1 ZINC001032980513 711970254 /nfs/dbraw/zinc/97/02/54/711970254.db2.gz IXNJDSZTZVRPJG-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C=C2CCC2)C1 ZINC001032996814 711970641 /nfs/dbraw/zinc/97/06/41/711970641.db2.gz NZJMTABNTYPYCD-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC)[C@@H](C)C1 ZINC001044423055 711975111 /nfs/dbraw/zinc/97/51/11/711975111.db2.gz VFQSEXBDPSJABR-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1cccc(OC[C@@H]2CCCC[NH2+]C2)c1 ZINC000700237113 711988386 /nfs/dbraw/zinc/98/83/86/711988386.db2.gz JDOYDRAIVKCEES-CYBMUJFWSA-N 1 0 230.311 2.327 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC=CC2)C1 ZINC001033390687 711989093 /nfs/dbraw/zinc/98/90/93/711989093.db2.gz HKKAIZACFQJENX-ZDUSSCGKSA-N 1 0 248.370 2.061 20 30 BEEDRO CCNC(NCc1ccc(Cl)o1)=[NH+]CC ZINC000700604466 712001224 /nfs/dbraw/zinc/00/12/24/712001224.db2.gz LYUMIWBMOICYRH-UHFFFAOYSA-N 1 0 229.711 2.008 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC000700729126 712003752 /nfs/dbraw/zinc/00/37/52/712003752.db2.gz IKURTUOUOXPTGS-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@H+]2CCOC[C@H](C)C2)cc1C#N ZINC000700705249 712003890 /nfs/dbraw/zinc/00/38/90/712003890.db2.gz UABUAAKEFQMOIW-GFCCVEGCSA-N 1 0 244.338 2.335 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)cc1C#N ZINC000701871506 712030683 /nfs/dbraw/zinc/03/06/83/712030683.db2.gz IGENAJRSYHTHDS-LALPHHSUSA-N 1 0 244.338 2.380 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)cc1C#N ZINC000701871509 712030992 /nfs/dbraw/zinc/03/09/92/712030992.db2.gz IGENAJRSYHTHDS-YWPYICTPSA-N 1 0 244.338 2.380 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701872122 712031006 /nfs/dbraw/zinc/03/10/06/712031006.db2.gz PLJQAHCLYOAPPI-LBPRGKRZSA-N 1 0 232.327 2.381 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](OC)C1CC1)C(C)(C)C ZINC000702307444 712043858 /nfs/dbraw/zinc/04/38/58/712043858.db2.gz PSHRUNOKBVFDEF-NEPJUHHUSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CCC)C(C)(C)C ZINC000702282340 712044672 /nfs/dbraw/zinc/04/46/72/712044672.db2.gz NRXIATZTPUKRRF-CYBMUJFWSA-N 1 0 233.359 2.431 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC2(CC2)CC1 ZINC000702819996 712061428 /nfs/dbraw/zinc/06/14/28/712061428.db2.gz IIHIPUDVJJRHFQ-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC1(O)CCC([NH2+]Cc2ccc(C#N)cc2)CC1 ZINC000702973198 712062999 /nfs/dbraw/zinc/06/29/99/712062999.db2.gz SFTJZVCTVABUNM-UHFFFAOYSA-N 1 0 244.338 2.341 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(F)cn1 ZINC000703429497 712076850 /nfs/dbraw/zinc/07/68/50/712076850.db2.gz DQAASBAQZPKNEI-GFCCVEGCSA-N 1 0 206.264 2.112 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000703709045 712083538 /nfs/dbraw/zinc/08/35/38/712083538.db2.gz QCWQZEXCIOJCJE-LBPRGKRZSA-N 1 0 239.363 2.094 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](CC)[NH2+]C ZINC000703708639 712083893 /nfs/dbraw/zinc/08/38/93/712083893.db2.gz MBNYSBNOGALYKD-LLVKDONJSA-N 1 0 214.353 2.071 20 30 BEEDRO CCCCCCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000703752177 712085399 /nfs/dbraw/zinc/08/53/99/712085399.db2.gz HEQYDVTYRCIGFT-LBPRGKRZSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCNC(=O)CC1CC[NH2+]CC1 ZINC000703763026 712086824 /nfs/dbraw/zinc/08/68/24/712086824.db2.gz YEPJNMWBJBCSFP-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C1CCS(=O)CC1 ZINC000703988542 712097990 /nfs/dbraw/zinc/09/79/90/712097990.db2.gz CUWGARRFGYDOAD-UHFFFAOYSA-N 1 0 243.416 2.480 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cncc(OC)c1 ZINC000704125646 712100472 /nfs/dbraw/zinc/10/04/72/712100472.db2.gz KAQCIPOUWVWZBV-SNVBAGLBSA-N 1 0 206.289 2.144 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)C)C[C@@H]1C ZINC001035910226 712148705 /nfs/dbraw/zinc/14/87/05/712148705.db2.gz SUSNWJDDXGRLKX-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000706580265 712150186 /nfs/dbraw/zinc/15/01/86/712150186.db2.gz YRBRAWCKQJRBDO-GMTAPVOTSA-N 1 0 210.321 2.082 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)C)C[C@@H]1C ZINC001035933420 712150538 /nfs/dbraw/zinc/15/05/38/712150538.db2.gz VESNHVBSXNZCAC-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000706966375 712161046 /nfs/dbraw/zinc/16/10/46/712161046.db2.gz JVNZSXTUKFFYND-GXTWGEPZSA-N 1 0 212.296 2.461 20 30 BEEDRO N#CCc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000706977167 712162956 /nfs/dbraw/zinc/16/29/56/712162956.db2.gz ZLDHSLCWZXBMJD-KGLIPLIRSA-N 1 0 212.296 2.347 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C)C[C@H]1C ZINC001036271480 712165444 /nfs/dbraw/zinc/16/54/44/712165444.db2.gz KBWMXOLOCMLBPP-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C[C@H]1C ZINC001036271483 712165451 /nfs/dbraw/zinc/16/54/51/712165451.db2.gz KBWMXOLOCMLBPP-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC000708114823 712181694 /nfs/dbraw/zinc/18/16/94/712181694.db2.gz FFIZLRNVFLYXKB-CYBMUJFWSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H](CC)CC(F)F)CC1 ZINC000708104412 712181857 /nfs/dbraw/zinc/18/18/57/712181857.db2.gz OVLVFOMQBACXJY-NSHDSACASA-N 1 0 245.313 2.128 20 30 BEEDRO CC1(C)CO[C@@H](C[NH2+]Cc2cccc(C#N)c2)C1 ZINC000708379560 712191711 /nfs/dbraw/zinc/19/17/11/712191711.db2.gz LZTRJHXFEWXDPN-CQSZACIVSA-N 1 0 244.338 2.463 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000708822041 712199993 /nfs/dbraw/zinc/19/99/93/712199993.db2.gz JCYJPHFWVITHQZ-RWMBFGLXSA-N 1 0 223.360 2.175 20 30 BEEDRO CCCCCCC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709876195 712230466 /nfs/dbraw/zinc/23/04/66/712230466.db2.gz SLPIBPCNGACNBO-UONOGXRCSA-N 1 0 243.391 2.022 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cn(C)cn1 ZINC000709918066 712232910 /nfs/dbraw/zinc/23/29/10/712232910.db2.gz FTHRPTJSXKVXJY-SNVBAGLBSA-N 1 0 207.321 2.283 20 30 BEEDRO C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709975633 712236471 /nfs/dbraw/zinc/23/64/71/712236471.db2.gz KVTGEHOEMRKJSN-GDLVEWKHSA-N 1 0 244.404 2.061 20 30 BEEDRO C[C@H](CC[S@@](C)=O)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709975652 712236505 /nfs/dbraw/zinc/23/65/05/712236505.db2.gz KVTGEHOEMRKJSN-GLKRBJQHSA-N 1 0 244.404 2.061 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CCCO1 ZINC000710007560 712239384 /nfs/dbraw/zinc/23/93/84/712239384.db2.gz CSTTXJNDNZLJAU-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@H]1CCCO1 ZINC000710011520 712239942 /nfs/dbraw/zinc/23/99/42/712239942.db2.gz VXAUADRJQGAGSU-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C12CCC2 ZINC000459748804 712284868 /nfs/dbraw/zinc/28/48/68/712284868.db2.gz GUEQVASJYZXIJP-NEPJUHHUSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711139866 712285230 /nfs/dbraw/zinc/28/52/30/712285230.db2.gz AEPAUNRXEAQQMW-RQJABVFESA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711139865 712285372 /nfs/dbraw/zinc/28/53/72/712285372.db2.gz AEPAUNRXEAQQMW-RFQIPJPRSA-N 1 0 223.360 2.482 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000711147229 712286372 /nfs/dbraw/zinc/28/63/72/712286372.db2.gz WPPYAEZKIDZUIZ-CQSZACIVSA-N 1 0 242.322 2.359 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711345573 712295015 /nfs/dbraw/zinc/29/50/15/712295015.db2.gz LNNUUNOCBSGSDK-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000711399743 712298086 /nfs/dbraw/zinc/29/80/86/712298086.db2.gz FECXXNJQGDKVNQ-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)c(F)c1 ZINC000711436279 712299907 /nfs/dbraw/zinc/29/99/07/712299907.db2.gz ULMWSORHHOTHRN-NSHDSACASA-N 1 0 236.265 2.489 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000711548808 712310631 /nfs/dbraw/zinc/31/06/31/712310631.db2.gz MXXLQYQJGBZDLK-OKILXGFUSA-N 1 0 244.363 2.353 20 30 BEEDRO C[C@@H]([NH2+]CCOC1CC1)c1ccc(C#N)cc1 ZINC000711679909 712316534 /nfs/dbraw/zinc/31/65/34/712316534.db2.gz GVKQXKOLRVMTAJ-LLVKDONJSA-N 1 0 230.311 2.388 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@H]2C=CCC2)n1 ZINC000711720773 712320008 /nfs/dbraw/zinc/32/00/08/712320008.db2.gz WLPOLAKGDGJNBE-VIFPVBQESA-N 1 0 219.313 2.071 20 30 BEEDRO N#CCCCC[NH2+][C@H](C1CCC1)[C@@H]1CCOC1 ZINC000711831306 712333347 /nfs/dbraw/zinc/33/33/47/712333347.db2.gz CMBJMTONSWAWCA-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079434673 712349048 /nfs/dbraw/zinc/34/90/48/712349048.db2.gz XYCDTWLUTVBATH-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCC2)C1 ZINC001079557177 712350154 /nfs/dbraw/zinc/35/01/54/712350154.db2.gz QTJSWDGTPKEBID-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCCC[NH2+]Cc1ncc(CC)s1 ZINC000379564724 712388106 /nfs/dbraw/zinc/38/81/06/712388106.db2.gz BCOXSSKAKWBGPM-UHFFFAOYSA-N 1 0 208.330 2.209 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC(C)(C)CC1 ZINC000379787203 712399351 /nfs/dbraw/zinc/39/93/51/712399351.db2.gz FTLWVCVZLQAJCF-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)CC(C)(C)C ZINC000764102162 712412170 /nfs/dbraw/zinc/41/21/70/712412170.db2.gz PPZAETRPKCMTJF-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C#N)cc1C ZINC000712579063 712432637 /nfs/dbraw/zinc/43/26/37/712432637.db2.gz KQRRQCUGASFJCC-ZDUSSCGKSA-N 1 0 229.327 2.373 20 30 BEEDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C#N)cc1F ZINC000712597724 712436380 /nfs/dbraw/zinc/43/63/80/712436380.db2.gz ZZTMZFNFMUKKPU-LLVKDONJSA-N 1 0 233.290 2.203 20 30 BEEDRO CC1(C)CC[NH2+]CCN1Cc1ccc(C#N)cc1 ZINC000712564700 712446630 /nfs/dbraw/zinc/44/66/30/712446630.db2.gz WMGGQJVXPKMVKP-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCOC(F)(F)F ZINC000713437447 712460389 /nfs/dbraw/zinc/46/03/89/712460389.db2.gz PZCNCZWRPXAXMZ-MRVPVSSYSA-N 1 0 224.226 2.004 20 30 BEEDRO CCC1([NH3+])CCN(Cc2cccc(C#N)c2)CC1 ZINC000714753551 712497321 /nfs/dbraw/zinc/49/73/21/712497321.db2.gz DWOQVQKTGBHANR-UHFFFAOYSA-N 1 0 243.354 2.262 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715134751 712514321 /nfs/dbraw/zinc/51/43/21/712514321.db2.gz UYTZQDBGEXMWNA-QWRGUYRKSA-N 1 0 213.321 2.082 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC23CC3)cc1C#N ZINC000715346104 712521062 /nfs/dbraw/zinc/52/10/62/712521062.db2.gz YAPZJDHDPDYGOZ-ZDUSSCGKSA-N 1 0 228.295 2.209 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC23CC3)cc1C#N ZINC000715346102 712521208 /nfs/dbraw/zinc/52/12/08/712521208.db2.gz YAPZJDHDPDYGOZ-CYBMUJFWSA-N 1 0 228.295 2.209 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(C(=O)OCC)CC1 ZINC000715741011 712531331 /nfs/dbraw/zinc/53/13/31/712531331.db2.gz RKXONHIWGPLLSH-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C/C=C\c1ccccc1 ZINC000716356325 712556190 /nfs/dbraw/zinc/55/61/90/712556190.db2.gz ONPUQBJWDFNRKK-QARUFBMTSA-N 1 0 229.323 2.328 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716390467 712557999 /nfs/dbraw/zinc/55/79/99/712557999.db2.gz BKTFWVSRTXHUGW-UHFFFAOYSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000716551587 712563365 /nfs/dbraw/zinc/56/33/65/712563365.db2.gz RJDRPXKZECILSD-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000716634815 712568095 /nfs/dbraw/zinc/56/80/95/712568095.db2.gz CPIFVVBRDLICQZ-LLHIFLOGSA-N 1 0 247.367 2.396 20 30 BEEDRO C[N@H+](CCCF)Cc1ccc(C#N)c(F)c1 ZINC000716725306 712571056 /nfs/dbraw/zinc/57/10/56/712571056.db2.gz KMTSXYSQMNQTDW-UHFFFAOYSA-N 1 0 224.254 2.489 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cccc(C#N)c1 ZINC000716811614 712575744 /nfs/dbraw/zinc/57/57/44/712575744.db2.gz OHRYIVKHXBRZCA-RISCZKNCSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CC(C)(C)C ZINC000716816512 712576429 /nfs/dbraw/zinc/57/64/29/712576429.db2.gz CIRBLKBBFYXOGA-RYUDHWBXSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cc1ccsc1 ZINC000716829546 712577252 /nfs/dbraw/zinc/57/72/52/712577252.db2.gz SESGADXKHLUPBS-YPMHNXCESA-N 1 0 237.368 2.307 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2(CO)CCCCC2)cc1 ZINC000809639536 712584740 /nfs/dbraw/zinc/58/47/40/712584740.db2.gz NZMADLISWPAJQY-UHFFFAOYSA-N 1 0 243.350 2.453 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000809643817 712584889 /nfs/dbraw/zinc/58/48/89/712584889.db2.gz KMYXUECBUZAVNU-GJZGRUSLSA-N 1 0 224.307 2.450 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000828021129 712593851 /nfs/dbraw/zinc/59/38/51/712593851.db2.gz QUTTWKFRMJDTFO-CABCVRRESA-N 1 0 231.339 2.240 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000830343035 712594913 /nfs/dbraw/zinc/59/49/13/712594913.db2.gz KEYUAHQXAIIRBT-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000830343083 712594979 /nfs/dbraw/zinc/59/49/79/712594979.db2.gz LRPFNWXXSWOKRH-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000716928781 712596429 /nfs/dbraw/zinc/59/64/29/712596429.db2.gz NQZJFQFYJNVYJD-XQQFMLRXSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(Cl)cc1 ZINC000716938107 712597765 /nfs/dbraw/zinc/59/77/65/712597765.db2.gz WFBRUSQBZVNKOR-ZDUSSCGKSA-N 1 0 237.730 2.468 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000716944744 712598533 /nfs/dbraw/zinc/59/85/33/712598533.db2.gz IMSDGQYMZHXTHY-AWEZNQCLSA-N 1 0 247.338 2.137 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000716949562 712598860 /nfs/dbraw/zinc/59/88/60/712598860.db2.gz YKQRUSYUYHZVBB-QJPTWQEYSA-N 1 0 226.364 2.454 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000716950556 712599050 /nfs/dbraw/zinc/59/90/50/712599050.db2.gz XGKVOOSSZPWFOJ-GXTWGEPZSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cc1cccs1 ZINC000716959654 712600342 /nfs/dbraw/zinc/60/03/42/712600342.db2.gz ZSHLWZXVTXAQCW-NWDGAFQWSA-N 1 0 237.368 2.307 20 30 BEEDRO CC(C)(C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC000037395899 712600740 /nfs/dbraw/zinc/60/07/40/712600740.db2.gz GGKSJTCHXLLIJI-UHFFFAOYSA-N 1 0 245.326 2.275 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc(Cl)n1C ZINC000848875598 712610154 /nfs/dbraw/zinc/61/01/54/712610154.db2.gz AYPYXDVNAJYZHR-UHFFFAOYSA-N 1 0 227.739 2.472 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000886355088 712654774 /nfs/dbraw/zinc/65/47/74/712654774.db2.gz CAHQXBUJRUKQIV-WDEREUQCSA-N 1 0 245.326 2.353 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000886355085 712654810 /nfs/dbraw/zinc/65/48/10/712654810.db2.gz CAHQXBUJRUKQIV-GHMZBOCLSA-N 1 0 245.326 2.353 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000717439897 712657913 /nfs/dbraw/zinc/65/79/13/712657913.db2.gz ODRKXJAJYOXLIS-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C=CCC1(O)CCN(c2cc[nH+]cc2C)CC1 ZINC000717451558 712658743 /nfs/dbraw/zinc/65/87/43/712658743.db2.gz PTCQDRFHADNNLI-UHFFFAOYSA-N 1 0 232.327 2.297 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CC(C)(C)C ZINC000717710700 712666323 /nfs/dbraw/zinc/66/63/23/712666323.db2.gz SBBFIUBACGAJBA-NEPJUHHUSA-N 1 0 211.349 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C1CCC(C2CCC2)CC1 ZINC000717729034 712667606 /nfs/dbraw/zinc/66/76/06/712667606.db2.gz RYXLECFNAFUNKW-YMAMQOFZSA-N 1 0 235.371 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000717740065 712668672 /nfs/dbraw/zinc/66/86/72/712668672.db2.gz NCAIJRAKNNXURA-OAHLLOKOSA-N 1 0 231.339 2.284 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCCCC12CCCC2 ZINC000717760572 712673930 /nfs/dbraw/zinc/67/39/30/712673930.db2.gz NKXUVQBTIHDCBW-ZIAGYGMSSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000717762194 712674189 /nfs/dbraw/zinc/67/41/89/712674189.db2.gz ALOOEMXJOKHBDN-OUAUKWLOSA-N 1 0 249.276 2.081 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000717777767 712675547 /nfs/dbraw/zinc/67/55/47/712675547.db2.gz UUUOVYLFDVZBIF-SWLSCSKDSA-N 1 0 249.329 2.121 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000717785974 712676855 /nfs/dbraw/zinc/67/68/55/712676855.db2.gz HHSXMHINUHTECY-OAHLLOKOSA-N 1 0 245.366 2.458 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000717788487 712677712 /nfs/dbraw/zinc/67/77/12/712677712.db2.gz SKQGLTJDLDQBIU-JKSUJKDBSA-N 1 0 245.366 2.400 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC2CCC1CC2 ZINC000717832887 712683674 /nfs/dbraw/zinc/68/36/74/712683674.db2.gz ZEWHZZQKVIUYTA-RYKAKRHSSA-N 1 0 235.371 2.175 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000037913791 712786971 /nfs/dbraw/zinc/78/69/71/712786971.db2.gz IBLDSYXIFJRDBO-GJZGRUSLSA-N 1 0 244.338 2.466 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000718990141 712792672 /nfs/dbraw/zinc/79/26/72/712792672.db2.gz WBJVJBMZMQSPKA-NWDGAFQWSA-N 1 0 225.332 2.036 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719092844 712797148 /nfs/dbraw/zinc/79/71/48/712797148.db2.gz YPNIEAUGCJLXJE-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO Cc1cc(C#N)ccc1N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719573608 712809653 /nfs/dbraw/zinc/80/96/53/712809653.db2.gz XCPBBGJJHYAJOZ-FZMZJTMJSA-N 1 0 229.327 2.371 20 30 BEEDRO C[C@H]1[C@@H](Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000719598472 712813039 /nfs/dbraw/zinc/81/30/39/712813039.db2.gz GVOBZYPXOUAXGS-GWCFXTLKSA-N 1 0 215.300 2.063 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719681487 712821653 /nfs/dbraw/zinc/82/16/53/712821653.db2.gz KMPVDYONXDKBLT-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCc2ccns2)C1 ZINC000719867361 712824424 /nfs/dbraw/zinc/82/44/24/712824424.db2.gz RORYOGKBVCNBDP-NSHDSACASA-N 1 0 235.356 2.311 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000720272227 712830717 /nfs/dbraw/zinc/83/07/17/712830717.db2.gz JENQXBMYOUHFRP-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000720457187 712844550 /nfs/dbraw/zinc/84/45/50/712844550.db2.gz IEYIOOSVVZSTEW-LBPRGKRZSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@H](C#N)C[NH2+]Cc1cccc2ncccc12 ZINC000720508252 712847970 /nfs/dbraw/zinc/84/79/70/712847970.db2.gz JPRNXGTZQNSPKE-LLVKDONJSA-N 1 0 225.295 2.484 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000720595418 712856373 /nfs/dbraw/zinc/85/63/73/712856373.db2.gz LAUNGIMZDFTFIL-LLVKDONJSA-N 1 0 222.336 2.212 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)nn1 ZINC000720602667 712857433 /nfs/dbraw/zinc/85/74/33/712857433.db2.gz ZVJUMUXWCKXPNZ-ZDUSSCGKSA-N 1 0 244.342 2.219 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720801063 712866382 /nfs/dbraw/zinc/86/63/82/712866382.db2.gz UVLCFNVIWAGEBI-LBPRGKRZSA-N 1 0 247.338 2.302 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720850199 712870960 /nfs/dbraw/zinc/87/09/60/712870960.db2.gz NIUGVMHEHLKDQJ-IGQOVBAYSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCCC[NH2+]C1(CCO)CCCCC1 ZINC000380312022 712873832 /nfs/dbraw/zinc/87/38/32/712873832.db2.gz HMAVDHMXHOWTPV-UHFFFAOYSA-N 1 0 209.333 2.075 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH+]2CCC(CC#N)CC2)C1 ZINC000721136046 712892048 /nfs/dbraw/zinc/89/20/48/712892048.db2.gz LIPHINLMVPOXQJ-BETUJISGSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721165414 712893486 /nfs/dbraw/zinc/89/34/86/712893486.db2.gz DMQXXHIMZFHFEQ-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721165949 712893618 /nfs/dbraw/zinc/89/36/18/712893618.db2.gz FCEXYHPMFXCONC-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C(C)C)C1CC1 ZINC001493399578 957009767 /nfs/dbraw/zinc/00/97/67/957009767.db2.gz FRBZRLKKEAAADI-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCN(CCC#N)C[C@H]1CCC[N@H+](C)C1 ZINC001208606076 957092774 /nfs/dbraw/zinc/09/27/74/957092774.db2.gz CLTPJNJMAPKMAK-AWEZNQCLSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2cnn(C)c2C1 ZINC001209207154 957352532 /nfs/dbraw/zinc/35/25/32/957352532.db2.gz MYLHNCDWDOXJAA-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CC1(C)C ZINC001266385671 957420067 /nfs/dbraw/zinc/42/00/67/957420067.db2.gz HQIPDQYMFZVVEX-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCCC[NH+]1CCN(C)CC1 ZINC001209431447 957459569 /nfs/dbraw/zinc/45/95/69/957459569.db2.gz OBPWXZSGMSTCGE-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CCCCCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001209431813 957463587 /nfs/dbraw/zinc/46/35/87/957463587.db2.gz UEDBZFPMMVVKFP-LBPRGKRZSA-N 1 0 224.348 2.073 20 30 BEEDRO C#CC1CC[NH+]([C@@H](CCCC)C(=O)OC)CC1 ZINC000692348425 958615667 /nfs/dbraw/zinc/61/56/67/958615667.db2.gz CUEQHFYIPIHRNZ-ZDUSSCGKSA-N 1 0 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CSCCCCCCNC1=[NH+]CCCCN1 ZINC000697722258 964509980 /nfs/dbraw/zinc/50/99/80/964509980.db2.gz WRWCPEXMUPVNGW-UHFFFAOYSA-N 1 0 243.420 2.239 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@H](C)C1CCC1 ZINC001483475148 965017912 /nfs/dbraw/zinc/01/79/12/965017912.db2.gz XQSRIULPTXEPIY-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC#CCCCC(=O)N(C)CCC[NH2+]CCC ZINC001483485849 965020849 /nfs/dbraw/zinc/02/08/49/965020849.db2.gz MMFHFNLZPRAMMW-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)/C(C)=C\CC)C1CC1 ZINC001483550011 965033825 /nfs/dbraw/zinc/03/38/25/965033825.db2.gz PZTMFNRUQGERJJ-TUOYRWMMSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@H]1C ZINC001088996878 965408440 /nfs/dbraw/zinc/40/84/40/965408440.db2.gz OOSUXFZETCVTFD-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)C ZINC001272331226 965496684 /nfs/dbraw/zinc/49/66/84/965496684.db2.gz DMDZOEUVWAQLJU-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)/C=C\C(C)(C)C)CC1 ZINC001483722072 965593359 /nfs/dbraw/zinc/59/33/59/965593359.db2.gz PQDLMGFQQBDAMA-SREVYHEPSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC=CCC1 ZINC001123388063 966163267 /nfs/dbraw/zinc/16/32/67/966163267.db2.gz QTVBYNDZMQYODS-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(CC)CC ZINC001123846389 966281016 /nfs/dbraw/zinc/28/10/16/966281016.db2.gz CCYGLKFDXDNXGM-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001716468204 1165756119 /nfs/dbraw/zinc/75/61/19/1165756119.db2.gz NOYNIISAYBSIQM-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCC(C)C)[C@@H]1C ZINC001717787344 1165769122 /nfs/dbraw/zinc/76/91/22/1165769122.db2.gz FDQMNNOKGDFQPN-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[N@H+](CCCc1ccc(C#N)cc1)CCOC ZINC001208860624 1165773826 /nfs/dbraw/zinc/77/38/26/1165773826.db2.gz QGUUIFUIFPEIRF-UHFFFAOYSA-N 1 0 246.354 2.459 20 30 BEEDRO COC1(C)C[NH+](CCCc2ccc(C#N)cc2)C1 ZINC001208860278 1165774168 /nfs/dbraw/zinc/77/41/68/1165774168.db2.gz JEXUBJPBDANTMH-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)CC)C1 ZINC001485515411 966610690 /nfs/dbraw/zinc/61/06/90/966610690.db2.gz CLAKIDNTMOORHB-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)/C=C\C(C)(C)C ZINC001124884285 966708094 /nfs/dbraw/zinc/70/80/94/966708094.db2.gz ZTYPXHSFGUBLFH-WAYWQWQTSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)/C=C\C(C)(C)C ZINC001124911936 966717912 /nfs/dbraw/zinc/71/79/12/966717912.db2.gz FWMFPRZRXHGREI-HJWRWDBZSA-N 1 0 238.375 2.261 20 30 BEEDRO C[C@@H](O)C(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001203935882 966824519 /nfs/dbraw/zinc/82/45/19/966824519.db2.gz RPCURRQGCMFDOW-LKSINWNRSA-N 1 0 238.375 2.455 20 30 BEEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCCCC#N ZINC001205647602 967742598 /nfs/dbraw/zinc/74/25/98/967742598.db2.gz DYTQQGBDOQTYEI-ITGUQSILSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCCc1[nH]c2ccc(N(C)C)cc2[nH+]1 ZINC001250606260 968153890 /nfs/dbraw/zinc/15/38/90/968153890.db2.gz FZHDFPZZFJOKDK-UHFFFAOYSA-N 1 0 213.284 2.195 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C ZINC001082426809 968244506 /nfs/dbraw/zinc/24/45/06/968244506.db2.gz GMFCTDWWRFDIBT-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1CC[N@H+]1CCC ZINC001670686305 1165992026 /nfs/dbraw/zinc/99/20/26/1165992026.db2.gz DTFOLTXXAPMDHY-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC001252078621 968496574 /nfs/dbraw/zinc/49/65/74/968496574.db2.gz WEOROXOCIYJJMV-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc(F)cc1F ZINC001660819223 1166004538 /nfs/dbraw/zinc/00/45/38/1166004538.db2.gz AAROTFWTNNIXGG-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C1COC1 ZINC001252119822 968604585 /nfs/dbraw/zinc/60/45/85/968604585.db2.gz GYTFRTKDFFORMN-CYBMUJFWSA-N 1 0 229.364 2.086 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1(O)CC1 ZINC001252121732 968606152 /nfs/dbraw/zinc/60/61/52/968606152.db2.gz LAXLLCNZRNJEOM-CYBMUJFWSA-N 1 0 243.391 2.212 20 30 BEEDRO CCCC[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC001252120144 968606619 /nfs/dbraw/zinc/60/66/19/968606619.db2.gz ODQKPCKQHVFCJW-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)C1CC1 ZINC001667070525 1166040090 /nfs/dbraw/zinc/04/00/90/1166040090.db2.gz SUQKDHKTZOFEJN-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CC(C)=O ZINC001252136982 968609153 /nfs/dbraw/zinc/60/91/53/968609153.db2.gz VBZIXSZWRVXSMS-CYBMUJFWSA-N 1 0 229.364 2.277 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C1(CO)CC1 ZINC001252135730 968609687 /nfs/dbraw/zinc/60/96/87/968609687.db2.gz IAPNZAVTILCCIN-ZDUSSCGKSA-N 1 0 243.391 2.212 20 30 BEEDRO CCCCCCCN(C)CC[NH2+]CC ZINC000109914026 1166062573 /nfs/dbraw/zinc/06/25/73/1166062573.db2.gz AZBACCQTQGYOBE-UHFFFAOYSA-N 1 0 200.370 2.498 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001207294741 968717737 /nfs/dbraw/zinc/71/77/37/968717737.db2.gz UOJMSAFJRUHPIB-XUXIUFHCSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCC ZINC001252465430 968720454 /nfs/dbraw/zinc/72/04/54/968720454.db2.gz GVLURVHMYKBHGH-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CCC(C)C)C1 ZINC001207221551 1166117063 /nfs/dbraw/zinc/11/70/63/1166117063.db2.gz HVUYLGHHZWWNBS-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001691087268 1166127639 /nfs/dbraw/zinc/12/76/39/1166127639.db2.gz LUPOVMIANYTIJS-RWMBFGLXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(C)cc(F)c1 ZINC001252575549 968826846 /nfs/dbraw/zinc/82/68/46/968826846.db2.gz DBNACZZWXNIUKX-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(C)o1 ZINC001252587566 968842762 /nfs/dbraw/zinc/84/27/62/968842762.db2.gz TVUFSZOYLKLWFA-LLVKDONJSA-N 1 0 209.289 2.005 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C[C@@H](C#N)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307635544 1167110633 /nfs/dbraw/zinc/11/06/33/1167110633.db2.gz RZYBDDFOCKLEDG-DZGCQCFKSA-N 1 0 243.354 2.105 20 30 BEEDRO C[C@H](C#N)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307635545 1167109963 /nfs/dbraw/zinc/10/99/63/1167109963.db2.gz RZYBDDFOCKLEDG-HIFRSBDPSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H](C[NH2+]CCCC)C1 ZINC001755466724 1167132594 /nfs/dbraw/zinc/13/25/94/1167132594.db2.gz ABHWLLGXSMZCND-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cccc1C#N ZINC001227287004 975355365 /nfs/dbraw/zinc/35/53/65/975355365.db2.gz DSQOYIXIOCXQCF-JTQLQIEISA-N 1 0 237.298 2.171 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc[nH]1 ZINC001270896235 1167154814 /nfs/dbraw/zinc/15/48/14/1167154814.db2.gz PPONKOLYURPQKN-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C[C@@H]1COCC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592058 975438098 /nfs/dbraw/zinc/43/80/98/975438098.db2.gz DUABOKLSMFMQHH-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000308939311 1167224890 /nfs/dbraw/zinc/22/48/90/1167224890.db2.gz LTIFEWTTXXTOAA-QWRGUYRKSA-N 1 0 209.289 2.440 20 30 BEEDRO C=CC[C@H]1[N@@H+](CC[N+](=O)[O-])CCCC1(C)C ZINC001333486222 975811993 /nfs/dbraw/zinc/81/19/93/975811993.db2.gz JSSYGGOHYOOKSX-LLVKDONJSA-N 1 0 226.320 2.330 20 30 BEEDRO Cc1oc(Nc2cc[nH+]cc2)c(C#N)c1C ZINC001173882533 975928568 /nfs/dbraw/zinc/92/85/68/975928568.db2.gz YNGVILLMXGTJKQ-UHFFFAOYSA-N 1 0 213.240 2.329 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)CC#N)CCO1 ZINC000309232916 1167270701 /nfs/dbraw/zinc/27/07/01/1167270701.db2.gz XBSMMAIZDNSYGB-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[N@@H+](C)CCC1CCN(C(=O)CC)CC1 ZINC001271758805 1167351997 /nfs/dbraw/zinc/35/19/97/1167351997.db2.gz HHNNOCUADBYORC-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CC1(C)C([NH2+]C[C@@H](O)CC2(C#N)CC2)C1(C)C ZINC001335458479 977070689 /nfs/dbraw/zinc/07/06/89/977070689.db2.gz 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249.362 2.348 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)CC ZINC001234127433 978782828 /nfs/dbraw/zinc/78/28/28/978782828.db2.gz WRECHGBYBYMURM-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)/C(C)=C\CC ZINC001234967149 978938400 /nfs/dbraw/zinc/93/84/00/978938400.db2.gz OVHLHPADJSMVBV-LCYFTJDESA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC001180781093 978948684 /nfs/dbraw/zinc/94/86/84/978948684.db2.gz XEZVZXPIZGHPHY-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C(CC)CC)C1 ZINC001181065923 978992476 /nfs/dbraw/zinc/99/24/76/978992476.db2.gz NVIZYLJXXQIPQC-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2cnc(Cl)cc12 ZINC001235521722 979062315 /nfs/dbraw/zinc/06/23/15/979062315.db2.gz RXHZPPVZYIYGJR-UHFFFAOYSA-N 1 0 233.702 2.281 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340908320 979155181 /nfs/dbraw/zinc/15/51/81/979155181.db2.gz ZQXAUYPYHLNHRM-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccn1C(F)F ZINC001181577208 979162309 /nfs/dbraw/zinc/16/23/09/979162309.db2.gz QRNNGOGBOJEMJZ-VIFPVBQESA-N 1 0 212.243 2.385 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCC[C@@H]1CO ZINC001181775313 979270363 /nfs/dbraw/zinc/27/03/63/979270363.db2.gz DCLRNXITMDWCCR-ZIAGYGMSSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C2=C(C)CCC2)CC1 ZINC001520068673 1168226074 /nfs/dbraw/zinc/22/60/74/1168226074.db2.gz KAHRBMRLEPCLGC-UHFFFAOYSA-N 1 0 247.338 2.128 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC=C ZINC001485359682 1168241644 /nfs/dbraw/zinc/24/16/44/1168241644.db2.gz YBTOXKZVLGCZLB-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC1(CC(=O)NC[C@H]([NH3+])CC)CCCCC1 ZINC001341779763 979556812 /nfs/dbraw/zinc/55/68/12/979556812.db2.gz ZGBRRONQFRQNAO-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO CCCCCCCN1C[C@@H]2CC[C@H]1C[NH2+]2 ZINC001236426073 979597124 /nfs/dbraw/zinc/59/71/24/979597124.db2.gz ZDHKTLMFKLBXCX-STQMWFEESA-N 1 0 210.365 2.393 20 30 BEEDRO CCCCN(O)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC001649061590 1168291701 /nfs/dbraw/zinc/29/17/01/1168291701.db2.gz SGSJLCNBJLEYAB-SRVKXCTJSA-N 1 0 242.363 2.266 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)/C(C)=C\C)CC1 ZINC001687471158 1168309553 /nfs/dbraw/zinc/30/95/53/1168309553.db2.gz GDJQDQPIIINJGK-ACAGNQJTSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](CC=C)C1 ZINC001342197852 979703454 /nfs/dbraw/zinc/70/34/54/979703454.db2.gz APGNFRDWERMDFP-STQMWFEESA-N 1 0 236.359 2.095 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CC1([NH3+])CCC1 ZINC001342455828 979805396 /nfs/dbraw/zinc/80/53/96/979805396.db2.gz SFVWQRJLWPZUGK-GFCCVEGCSA-N 1 0 236.359 2.215 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC=C(C)C ZINC001733967756 1168348684 /nfs/dbraw/zinc/34/86/84/1168348684.db2.gz XTYSEDANBOYFEG-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO C#CCNc1cc(OCC(F)(F)F)cc[nH+]1 ZINC001163372572 1168410577 /nfs/dbraw/zinc/41/05/77/1168410577.db2.gz RCAKYJJGAJDBQO-UHFFFAOYSA-N 1 0 230.189 2.068 20 30 BEEDRO CCCCCCCOC(=O)N[C@H]1CC12C[NH2+]C2 ZINC001239325506 980533178 /nfs/dbraw/zinc/53/31/78/980533178.db2.gz BEQYQEVQTZEEDP-NSHDSACASA-N 1 0 240.347 2.045 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@@H]2C[C@]2([NH3+])C1 ZINC001239331179 980538579 /nfs/dbraw/zinc/53/85/79/980538579.db2.gz AMPQHBFBYFFIQU-AAEUAGOBSA-N 1 0 240.347 2.126 20 30 BEEDRO CCCCCCCOC(=O)N1CC[C@H]([NH3+])C1 ZINC001239335170 980541320 /nfs/dbraw/zinc/54/13/20/980541320.db2.gz IXOGINUGCDHFQX-NSHDSACASA-N 1 0 228.336 2.126 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001346180439 980776797 /nfs/dbraw/zinc/77/67/97/980776797.db2.gz OPZLCXSSRMCJNK-WCQYABFASA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@]1(C)C=CCC1 ZINC001132505794 1168563082 /nfs/dbraw/zinc/56/30/82/1168563082.db2.gz DEHZMVILYYOPHW-AWEZNQCLSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC)C1 ZINC001132701485 1168565702 /nfs/dbraw/zinc/56/57/02/1168565702.db2.gz SBPBJTOHJRFFFB-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C1(C)CC=CC1 ZINC001133329768 1168568439 /nfs/dbraw/zinc/56/84/39/1168568439.db2.gz HXJMWMYFBSWPTL-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC=C ZINC001133885272 1168579118 /nfs/dbraw/zinc/57/91/18/1168579118.db2.gz YNASHDMGDYBGMQ-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=C)C ZINC001133884886 1168579894 /nfs/dbraw/zinc/57/98/94/1168579894.db2.gz UVGIMNACMUJYHQ-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC(=C)C ZINC001134481089 1168590518 /nfs/dbraw/zinc/59/05/18/1168590518.db2.gz RYKQOCOYGYXGIX-CHWSQXEVSA-N 1 0 238.375 2.402 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)cc1 ZINC001144576943 1168651997 /nfs/dbraw/zinc/65/19/97/1168651997.db2.gz XBCTWOREMARZTD-GASCZTMLSA-N 1 0 239.318 2.079 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001193610152 981383067 /nfs/dbraw/zinc/38/30/67/981383067.db2.gz MLGRWMYIMYUZPW-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@H](C)c1ccccc1 ZINC000716938309 981427978 /nfs/dbraw/zinc/42/79/78/981427978.db2.gz XLEPNKDIYOHCQI-ZFWWWQNUSA-N 1 0 231.339 2.418 20 30 BEEDRO C=C(C)c1ccc(Nc2nccnc2C[NH3+])nc1 ZINC001171444887 1168672784 /nfs/dbraw/zinc/67/27/84/1168672784.db2.gz RSMWIYSAZVJFJK-UHFFFAOYSA-N 1 0 241.298 2.107 20 30 BEEDRO COC(C[N@H+](C)C1CCC(CC#N)CC1)OC ZINC001173337452 1168688047 /nfs/dbraw/zinc/68/80/47/1168688047.db2.gz KWMLPTOJDUQWNI-UHFFFAOYSA-N 1 0 240.347 2.010 20 30 BEEDRO CN1CC[N@@H+](C2CCC(CC#N)CC2)CC1(C)C ZINC001173337567 1168688134 /nfs/dbraw/zinc/68/81/34/1168688134.db2.gz OSIBHQXHWRKKRJ-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO COCC1C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173333121 1168687173 /nfs/dbraw/zinc/68/71/73/1168687173.db2.gz YNIKYUXENIIQGZ-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](CCN1CCCC1)C1CCC(CC#N)CC1 ZINC001173337759 1168689864 /nfs/dbraw/zinc/68/98/64/1168689864.db2.gz SOSGWEJILMKUAO-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO COC(=O)C[N@H+](CC(C)C)C[C@@H](C)CCC#N ZINC001349598782 981591150 /nfs/dbraw/zinc/59/11/50/981591150.db2.gz DGBLGBXTQBQMKY-LBPRGKRZSA-N 1 0 240.347 2.057 20 30 BEEDRO C[C@@H]1C[C@@H]([NH+]2CCC(C#N)CC2)C[C@H](C)O1 ZINC000338942404 1168709438 /nfs/dbraw/zinc/70/94/38/1168709438.db2.gz RLVYLNNFGIMWSW-PTEHBNRSSA-N 1 0 222.332 2.178 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@@H](C)C1CC1 ZINC001177053075 1168710888 /nfs/dbraw/zinc/71/08/88/1168710888.db2.gz CGEZVTMDQSHQLE-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C[NH+](C)Cc1cccc(CCC#N)c1F ZINC001250058131 1168741182 /nfs/dbraw/zinc/74/11/82/1168741182.db2.gz MBAMJXJHUKSUPK-UHFFFAOYSA-N 1 0 206.264 2.343 20 30 BEEDRO CCCCCCCCCC[C@H](O)C[NH2+]CCO ZINC000136158280 1168783310 /nfs/dbraw/zinc/78/33/10/1168783310.db2.gz IBJKVVLQRFTGBL-AWEZNQCLSA-N 1 0 245.407 2.460 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001198686401 1168825689 /nfs/dbraw/zinc/82/56/89/1168825689.db2.gz UKUNLKGJZBXIAB-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC001252541964 1168876302 /nfs/dbraw/zinc/87/63/02/1168876302.db2.gz XQVVOCFBWLOICI-KGLIPLIRSA-N 1 0 232.327 2.156 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)/C(C)=C\C)C1 ZINC001100232948 982717166 /nfs/dbraw/zinc/71/71/66/982717166.db2.gz VFKBTAGUMPDYAW-WZUFQYTHSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001252573310 1168889253 /nfs/dbraw/zinc/88/92/53/1168889253.db2.gz CXDSTPHGZHCVHR-SMDDNHRTSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(F)c(F)cc1F ZINC001252572850 1168887855 /nfs/dbraw/zinc/88/78/55/1168887855.db2.gz VIWQCBVSWMTNOT-GFCCVEGCSA-N 1 0 245.244 2.131 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1Cc2ccccc2C1 ZINC001252587596 1168891325 /nfs/dbraw/zinc/89/13/25/1168891325.db2.gz UEKOKKVSEKQNAX-HNNXBMFYSA-N 1 0 231.339 2.071 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccccc1N(C)C ZINC001252614881 1168894761 /nfs/dbraw/zinc/89/47/61/1168894761.db2.gz QNQFBWRPMWOOGY-AWEZNQCLSA-N 1 0 248.370 2.169 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCC(C)C)CC1 ZINC000880484118 1168933129 /nfs/dbraw/zinc/93/31/29/1168933129.db2.gz QCYLKZZXLDFZAT-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CC1(CC(=O)NC[C@@H](C)C[NH3+])CCCCC1 ZINC001353591147 982901329 /nfs/dbraw/zinc/90/13/29/982901329.db2.gz HCADPQUUWMZUNV-LBPRGKRZSA-N 1 0 238.375 2.224 20 30 BEEDRO C=C(C)CCC(=O)NCC1CC([NH2+]C(C)C)C1 ZINC001100373844 982966569 /nfs/dbraw/zinc/96/65/69/982966569.db2.gz LLDOHKBVJNFGKS-UHFFFAOYSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](Nc2cccc(Cl)n2)C1 ZINC000884611034 1168975444 /nfs/dbraw/zinc/97/54/44/1168975444.db2.gz BFNNSIXKEGPNOJ-LLVKDONJSA-N 1 0 249.745 2.245 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCN2CCC(C)CC2)C1 ZINC000886362904 1168982388 /nfs/dbraw/zinc/98/23/88/1168982388.db2.gz RSTDITBGNMFJEE-OAHLLOKOSA-N 1 0 234.387 2.064 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1=CCCC1 ZINC001674652693 1168985471 /nfs/dbraw/zinc/98/54/71/1168985471.db2.gz AAIMNLNMBLXSRT-NWDGAFQWSA-N 1 0 236.359 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1=CCCC1 ZINC001674652694 1168985495 /nfs/dbraw/zinc/98/54/95/1168985495.db2.gz AAIMNLNMBLXSRT-RYUDHWBXSA-N 1 0 236.359 2.156 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000717700034 1168991276 /nfs/dbraw/zinc/99/12/76/1168991276.db2.gz UOGTWKYGQZLAGZ-KGLIPLIRSA-N 1 0 235.371 2.463 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000717700032 1168991403 /nfs/dbraw/zinc/99/14/03/1168991403.db2.gz UOGTWKYGQZLAGZ-KBPBESRZSA-N 1 0 235.371 2.463 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CC1CCC(O)CC1 ZINC001355082205 983410275 /nfs/dbraw/zinc/41/02/75/983410275.db2.gz UUQFLUMFBQVLIB-CPCZMJQVSA-N 1 0 209.333 2.188 20 30 BEEDRO CCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001257255938 1169072697 /nfs/dbraw/zinc/07/26/97/1169072697.db2.gz BZXCCAMCTNHJTN-MNOVXSKESA-N 1 0 230.352 2.075 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001202084688 983548004 /nfs/dbraw/zinc/54/80/04/983548004.db2.gz HSQDINBCYHKJHJ-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000686676490 1169109603 /nfs/dbraw/zinc/10/96/03/1169109603.db2.gz HXPHBBNOPGJQSP-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000686676863 1169108848 /nfs/dbraw/zinc/10/88/48/1169108848.db2.gz QOJYXASQHGGLCP-CYBMUJFWSA-N 1 0 246.358 2.146 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@@H](O)C1(C)C ZINC000686676497 1169109108 /nfs/dbraw/zinc/10/91/08/1169109108.db2.gz IFSUFRDBRIFMNS-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCCCC[N@H+]1CCOC[C@@H](C)C1 ZINC000686677123 1169109207 /nfs/dbraw/zinc/10/92/07/1169109207.db2.gz DHDZCFOKVSQEHG-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCCCC[NH+]1CCC([C@H](C)O)CC1 ZINC000686681877 1169110666 /nfs/dbraw/zinc/11/06/66/1169110666.db2.gz DNLAJCXYWUTJKU-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000686681917 1169110877 /nfs/dbraw/zinc/11/08/77/1169110877.db2.gz GJPQHVGUELRROA-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO Cc1c[nH+]ccc1NC1=CC[C@@H](C#N)CC1 ZINC001212855220 1169117924 /nfs/dbraw/zinc/11/79/24/1169117924.db2.gz TUYXSNZIGFCKIJ-LLVKDONJSA-N 1 0 213.284 2.431 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)C)C1 ZINC001490523489 983731760 /nfs/dbraw/zinc/73/17/60/983731760.db2.gz WWSWUTCQBZMVLR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC001252547906 983812689 /nfs/dbraw/zinc/81/26/89/983812689.db2.gz NDXQZTMDWZMOHY-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689081935 1169169464 /nfs/dbraw/zinc/16/94/64/1169169464.db2.gz FJSCTHJHKWDTKZ-QMMMGPOBSA-N 1 0 225.313 2.199 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC001646392881 1169172562 /nfs/dbraw/zinc/17/25/62/1169172562.db2.gz QWAZBXQAVJQARZ-RBSFLKMASA-N 1 0 235.371 2.273 20 30 BEEDRO CC(C)n1cc(C[NH+]2CCC(S)CC2)cn1 ZINC001137080688 983919207 /nfs/dbraw/zinc/91/92/07/983919207.db2.gz ONHQWZOKDWSSDJ-UHFFFAOYSA-N 1 0 239.388 2.358 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)CC1CC1 ZINC001495992376 984034057 /nfs/dbraw/zinc/03/40/57/984034057.db2.gz XRUXJDSUNMGZME-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000304224030 1169201392 /nfs/dbraw/zinc/20/13/92/1169201392.db2.gz ILUGIDDVJGDXHT-UMSGYPCISA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000379813306 1169232520 /nfs/dbraw/zinc/23/25/20/1169232520.db2.gz BBBKZMRXRQNOKR-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ncn3ccccc23)C1 ZINC001254649005 1169237282 /nfs/dbraw/zinc/23/72/82/1169237282.db2.gz POLODKSJJIEFJK-VXGBXAGGSA-N 1 0 240.310 2.116 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCSC1)CC2 ZINC001255282549 1169245456 /nfs/dbraw/zinc/24/54/56/1169245456.db2.gz QQXHYZBCSJKDBW-CQSZACIVSA-N 1 0 244.363 2.422 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](C)CC ZINC001331406539 974709396 /nfs/dbraw/zinc/70/93/96/974709396.db2.gz NWKCHPUOOJEMOW-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001491464904 1169278002 /nfs/dbraw/zinc/27/80/02/1169278002.db2.gz DUUNPLCTMZEEGK-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001491493732 1169279021 /nfs/dbraw/zinc/27/90/21/1169279021.db2.gz ATUDQFWMWARTID-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)CCCC#N)no1 ZINC001172476508 974773449 /nfs/dbraw/zinc/77/34/49/974773449.db2.gz LXHJADWSIRLISW-SECBINFHSA-N 1 0 207.277 2.155 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC001172476865 974774890 /nfs/dbraw/zinc/77/48/90/974774890.db2.gz RQNXFNLCXUKMQJ-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(CC)CC ZINC001331645054 974781255 /nfs/dbraw/zinc/78/12/55/974781255.db2.gz URKPBEVJIHZXHV-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO COC(CCC[NH2+][C@H](C)CCCC#N)OC ZINC001172489649 974834791 /nfs/dbraw/zinc/83/47/91/974834791.db2.gz XOFUSQIVWUERKJ-LLVKDONJSA-N 1 0 228.336 2.057 20 30 BEEDRO C=CC[C@H](N[C@@H]1CC[C@H]1C1CC1)C(=O)OCC ZINC001327385170 972565659 /nfs/dbraw/zinc/56/56/59/972565659.db2.gz SPDJZTCBUIIBIA-XQQFMLRXSA-N 1 0 237.343 2.272 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC001202902111 1169363370 /nfs/dbraw/zinc/36/33/70/1169363370.db2.gz JSMXWNACFGCCCY-XQQFMLRXSA-N 1 0 234.343 2.370 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171176334 972811393 /nfs/dbraw/zinc/81/13/93/972811393.db2.gz RJINHJXRDYRHJT-NWDGAFQWSA-N 1 0 232.327 2.114 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C)CC ZINC001151960981 1169410811 /nfs/dbraw/zinc/41/08/11/1169410811.db2.gz MQHSWAGGXQMHQX-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402207698 970768115 /nfs/dbraw/zinc/76/81/15/970768115.db2.gz LFOFWTFEFDAGCJ-IAQYHMDHSA-N 1 0 244.338 2.322 20 30 BEEDRO C#CCOCC[N@@H+](C)CCC(C)(C)C1CC1 ZINC001329000592 973423960 /nfs/dbraw/zinc/42/39/60/973423960.db2.gz RIFVYADEJUYQJR-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC(F)F ZINC001329084457 973467502 /nfs/dbraw/zinc/46/75/02/973467502.db2.gz FIPPRDPKOOYQLE-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)C(C)(C)C ZINC001161008113 1169444537 /nfs/dbraw/zinc/44/45/37/1169444537.db2.gz VZIUSOJDJNKDJD-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402207700 970770293 /nfs/dbraw/zinc/77/02/93/970770293.db2.gz LFOFWTFEFDAGCJ-XHDPSFHLSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC000402287990 970783149 /nfs/dbraw/zinc/78/31/49/970783149.db2.gz XTNLEUBKRAIKAV-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@@H+](C)C[C@H](C)CC ZINC001329397556 973731286 /nfs/dbraw/zinc/73/12/86/973731286.db2.gz PICQFJBPICXPFZ-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)Cc2ccccn2)CC1 ZINC001256426988 970834751 /nfs/dbraw/zinc/83/47/51/970834751.db2.gz SYGFUZJWJURLGB-CYBMUJFWSA-N 1 0 228.339 2.358 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@H](C)CC(C)C ZINC001256543663 970859703 /nfs/dbraw/zinc/85/97/03/970859703.db2.gz SSRXIBAULCHJQY-CYBMUJFWSA-N 1 0 211.349 2.250 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](F)CCCCCC ZINC001147792169 973763534 /nfs/dbraw/zinc/76/35/34/973763534.db2.gz YRNKPJLVVDNENH-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H]1C=CCCC1 ZINC001130151105 970934771 /nfs/dbraw/zinc/93/47/71/970934771.db2.gz WAMSEZORZMGUEX-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO Cc1[nH+]cn(-c2cccc(Cl)c2C#N)c1N ZINC001216126907 970952967 /nfs/dbraw/zinc/95/29/67/970952967.db2.gz JTJKZPLSJXUGPT-UHFFFAOYSA-N 1 0 232.674 2.288 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH2+]Cc1cc(C#N)co1 ZINC001256731915 970955012 /nfs/dbraw/zinc/95/50/12/970955012.db2.gz PXOVMJYDVMKOSK-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+]Cc1cc(C#N)co1 ZINC001256731914 970957438 /nfs/dbraw/zinc/95/74/38/970957438.db2.gz PXOVMJYDVMKOSK-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccncc2)C1 ZINC001256745104 970977123 /nfs/dbraw/zinc/97/71/23/970977123.db2.gz GPXFNIOESDYBNM-KGLIPLIRSA-N 1 0 228.339 2.358 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170500656 970992763 /nfs/dbraw/zinc/99/27/63/970992763.db2.gz YSKQVVHOSPROKJ-VXGBXAGGSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]1CCC ZINC001130566245 971003929 /nfs/dbraw/zinc/00/39/29/971003929.db2.gz CNXLNANETFSRDB-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO N#CC1(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256898013 971011784 /nfs/dbraw/zinc/01/17/84/971011784.db2.gz JBIWKYOCQDFYIO-GFCCVEGCSA-N 1 0 233.359 2.039 20 30 BEEDRO CN(CCC#N)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256911514 971018180 /nfs/dbraw/zinc/01/81/80/971018180.db2.gz ODGNBSWMZORDIL-AWEZNQCLSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256904101 971020260 /nfs/dbraw/zinc/02/02/60/971020260.db2.gz HJYQPMQVLOTLEW-ZDUSSCGKSA-N 1 0 220.360 2.006 20 30 BEEDRO CC(=O)C(C)(C)[NH2+]C1CCC(C#N)CC1 ZINC001256950283 971025688 /nfs/dbraw/zinc/02/56/88/971025688.db2.gz AISIQKCCBXYAPK-UHFFFAOYSA-N 1 0 208.305 2.026 20 30 BEEDRO Cc1nc(C[NH2+]C2CCC(C#N)CC2)c(C)o1 ZINC001256954946 971031699 /nfs/dbraw/zinc/03/16/99/971031699.db2.gz OKBHATJEXABHHE-UHFFFAOYSA-N 1 0 233.315 2.463 20 30 BEEDRO CC[C@H](C)[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC001256950667 971026748 /nfs/dbraw/zinc/02/67/48/971026748.db2.gz KNABFZVTFUVUES-YWPUVAFDSA-N 1 0 224.348 2.065 20 30 BEEDRO Cn1cccc1C[NH2+]C1CCC(C#N)CC1 ZINC001256950480 971026866 /nfs/dbraw/zinc/02/68/66/971026866.db2.gz GRILFSNJOANSRR-UHFFFAOYSA-N 1 0 217.316 2.197 20 30 BEEDRO C[C@H]1OCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001256950642 971028799 /nfs/dbraw/zinc/02/87/99/971028799.db2.gz JPJVBQIBHGGKMR-IGJPJIBNSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H](C#N)N(C)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256923847 971028811 /nfs/dbraw/zinc/02/88/11/971028811.db2.gz MMYKVJNAAKWJPB-TZMCWYRMSA-N 1 0 235.375 2.237 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCC(C#N)CC1 ZINC001256957693 971029364 /nfs/dbraw/zinc/02/93/64/971029364.db2.gz AHJLOJHPHIUEKF-BPCQOVAHSA-N 1 0 204.317 2.460 20 30 BEEDRO N#CC1CCC([NH2+]C2CCC(=O)CC2)CC1 ZINC001256956354 971029814 /nfs/dbraw/zinc/02/98/14/971029814.db2.gz QMQAEECISUYSKS-UHFFFAOYSA-N 1 0 220.316 2.170 20 30 BEEDRO CC1(C)C[C@@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC001256956536 971030181 /nfs/dbraw/zinc/03/01/81/971030181.db2.gz WIPNYFYRXZKIEO-MCIGGMRASA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@]1(O)CC[C@H]([NH2+]C2CCC(C#N)CC2)CC1 ZINC001256955437 971031561 /nfs/dbraw/zinc/03/15/61/971031561.db2.gz SYZSIFZNXJXUIS-LLZFXZEUSA-N 1 0 236.359 2.352 20 30 BEEDRO Cc1oncc1C[NH2+]C1CCC(C#N)CC1 ZINC001256955477 971030416 /nfs/dbraw/zinc/03/04/16/971030416.db2.gz VIRNCXAGOHTZAM-UHFFFAOYSA-N 1 0 219.288 2.155 20 30 BEEDRO N#CC1CCC([NH2+]CCOc2ccccn2)CC1 ZINC001256958030 971034307 /nfs/dbraw/zinc/03/43/07/971034307.db2.gz RHJSXMYPCNRWGV-UHFFFAOYSA-N 1 0 245.326 2.132 20 30 BEEDRO C[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)CCC1=O ZINC001256963642 971036740 /nfs/dbraw/zinc/03/67/40/971036740.db2.gz JWPWSTHAIKZPIU-PNESKVBLSA-N 1 0 234.343 2.370 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2C[C@@]23CCCOC3)CC1 ZINC001256963763 971037437 /nfs/dbraw/zinc/03/74/37/971037437.db2.gz OYAVUMUPQRNMGP-CLRIEMFWSA-N 1 0 234.343 2.227 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@]3(CCO3)C2)CC1 ZINC001256969218 971044478 /nfs/dbraw/zinc/04/44/78/971044478.db2.gz BETAQZHBGUXBGI-RUXDESIVSA-N 1 0 234.343 2.324 20 30 BEEDRO Cc1ncc2n1CC[N@H+](C1CCC(C#N)CC1)C2 ZINC001256963771 971039412 /nfs/dbraw/zinc/03/94/12/971039412.db2.gz LYPNSEVSLQVNNW-UHFFFAOYSA-N 1 0 244.342 2.090 20 30 BEEDRO N#CC1CCC([N@H+]2CCC(=O)[C@H](F)CC2)CC1 ZINC001256963701 971040396 /nfs/dbraw/zinc/04/03/96/971040396.db2.gz KUPAMBWMQFMSMH-HTAVTVPLSA-N 1 0 238.306 2.072 20 30 BEEDRO C[C@@H]1C[N@H+](C2CCC(C#N)CC2)C[C@H](C)O1 ZINC001256965444 971044662 /nfs/dbraw/zinc/04/46/62/971044662.db2.gz UKSOAJIGFSFFKG-MPEURRAXSA-N 1 0 222.332 2.178 20 30 BEEDRO N#Cc1c[nH]c2nccc(C3=C[NH2+]CCC3)c12 ZINC001243950500 971047329 /nfs/dbraw/zinc/04/73/29/971047329.db2.gz WOJDRKALKWBZBV-UHFFFAOYSA-N 1 0 224.267 2.159 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256971186 971051004 /nfs/dbraw/zinc/05/10/04/971051004.db2.gz DHKUVJDCTOZAQB-BPCQOVAHSA-N 1 0 217.316 2.304 20 30 BEEDRO N#CC1CCC([NH+]2CC(C(F)F)C2)CC1 ZINC001256971746 971052191 /nfs/dbraw/zinc/05/21/91/971052191.db2.gz ZTFCOXHKNNLPSF-UHFFFAOYSA-N 1 0 214.259 2.266 20 30 BEEDRO N#CC1CCC([N@@H+]2C[C@@H]3CCCC(=O)[C@@H]3C2)CC1 ZINC001256970806 971052452 /nfs/dbraw/zinc/05/24/52/971052452.db2.gz FQDPXJWXAFBCSR-GNRIBBGQSA-N 1 0 246.354 2.370 20 30 BEEDRO CNCC[N@H+](C1CCC(C#N)CC1)C(C)(C)C ZINC001256972244 971052855 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ZINC001257098515 971111883 /nfs/dbraw/zinc/11/18/83/971111883.db2.gz AVIBYBZWCCTEGS-RWMBFGLXSA-N 1 0 221.344 2.288 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)C[C@H](C)O1 ZINC001257106406 971119489 /nfs/dbraw/zinc/11/94/89/971119489.db2.gz PTWZUAHMRYZQCH-RNJOBUHISA-N 1 0 222.332 2.178 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1F ZINC000404077691 971120325 /nfs/dbraw/zinc/12/03/25/971120325.db2.gz OAZIIZQDQMVIPI-CYBMUJFWSA-N 1 0 246.285 2.480 20 30 BEEDRO CO[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404113776 971129108 /nfs/dbraw/zinc/12/91/08/971129108.db2.gz KMQRLYGSOOOCLM-KBPBESRZSA-N 1 0 248.301 2.354 20 30 BEEDRO CCCCN(CC#N)C1CC[NH+](C(C)C)CC1 ZINC001257221964 971132163 /nfs/dbraw/zinc/13/21/63/971132163.db2.gz NPYLHIOVVWPPLC-UHFFFAOYSA-N 1 0 237.391 2.485 20 30 BEEDRO C=CCN1CCC[C@H]([NH2+][C@@H](CC)CCC)C1=O ZINC001257250047 971143577 /nfs/dbraw/zinc/14/35/77/971143577.db2.gz IHSBMAWOQBCCDE-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H](CC(C)(C)S)OCC[N+](C)(C)C ZINC001224774240 973943006 /nfs/dbraw/zinc/94/30/06/973943006.db2.gz PIFNIZFPNCSGLE-JTQLQIEISA-O 1 0 220.402 2.196 20 30 BEEDRO CCC[C@@H](CC)NC1(C#N)CC[NH+](C)CC1 ZINC001257252656 971149020 /nfs/dbraw/zinc/14/90/20/971149020.db2.gz GROBEDMPXCYNOZ-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO CCC[C@H](CC)NC1(C#N)CC[NH+](C)CC1 ZINC001257252657 971150336 /nfs/dbraw/zinc/15/03/36/971150336.db2.gz GROBEDMPXCYNOZ-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CC[C@@H](C(=O)OC)C1 ZINC001170552808 971155897 /nfs/dbraw/zinc/15/58/97/971155897.db2.gz CUPUKSZALDXCGI-VXGBXAGGSA-N 1 0 223.316 2.002 20 30 BEEDRO CCC(CC)NC(=[NH2+])c1ccc(F)cn1 ZINC001257289333 971175314 /nfs/dbraw/zinc/17/53/14/971175314.db2.gz WZMGRULPAFJMRV-UHFFFAOYSA-N 1 0 209.268 2.115 20 30 BEEDRO COc1cc(Nc2c[nH+]cn2C)ccc1C#N ZINC001211250712 1169532746 /nfs/dbraw/zinc/53/27/46/1169532746.db2.gz NMOZKZIJXXQHGI-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO CC(=O)c1ccc(Nc2c[nH+]cn2C)c(C#N)c1 ZINC001211251250 1169532812 /nfs/dbraw/zinc/53/28/12/1169532812.db2.gz CCYCGLLRGXDCSH-UHFFFAOYSA-N 1 0 240.266 2.238 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CC1(C)CC1 ZINC001131475683 971181184 /nfs/dbraw/zinc/18/11/84/971181184.db2.gz VCGGHEHSWKEJAG-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CCC[C@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001257307786 971195328 /nfs/dbraw/zinc/19/53/28/971195328.db2.gz UVVOOFKSIZIEOI-JTQLQIEISA-N 1 0 215.300 2.452 20 30 BEEDRO CCC[C@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001257312153 971205097 /nfs/dbraw/zinc/20/50/97/971205097.db2.gz VIBOCHUZDIUSKL-QMMMGPOBSA-N 1 0 209.318 2.293 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)OC[C@@H]1CCC[N@@H+]1C ZINC001224816835 973990461 /nfs/dbraw/zinc/99/04/61/973990461.db2.gz AXGYKCOMOXFIHJ-STQMWFEESA-N 1 0 239.435 2.367 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CCC=CO2)CCCC1 ZINC000405181417 1169545667 /nfs/dbraw/zinc/54/56/67/1169545667.db2.gz XZEDNUBHLZTECG-LBPRGKRZSA-N 1 0 220.316 2.353 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CCC=CO2)CCCC1 ZINC000405181413 1169545956 /nfs/dbraw/zinc/54/59/56/1169545956.db2.gz XZEDNUBHLZTECG-GFCCVEGCSA-N 1 0 220.316 2.353 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001131735929 971256239 /nfs/dbraw/zinc/25/62/39/971256239.db2.gz UFFOOJJOVKBILI-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](NC(=O)CCC)CC[C@H]1C ZINC001131755183 971268032 /nfs/dbraw/zinc/26/80/32/971268032.db2.gz BSQJUOZCYTZHBL-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)CC(C)C)CC[C@H]1C ZINC001131752609 971266442 /nfs/dbraw/zinc/26/64/42/971266442.db2.gz SBOHHRJYCSKTEI-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C=C(C)C)CC[C@H]1C ZINC001131772176 971271310 /nfs/dbraw/zinc/27/13/10/971271310.db2.gz NAAAEDSRJHEUPY-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000405579386 971279765 /nfs/dbraw/zinc/27/97/65/971279765.db2.gz ISQNEEXYVBWLNS-PKFCDNJMSA-N 1 0 248.301 2.210 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]CC(C)(C)CCC#N)CO[C@H]1C ZINC000405608334 971282873 /nfs/dbraw/zinc/28/28/73/971282873.db2.gz GKOGIGYQOGVBIH-SRVKXCTJSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC=C)C1 ZINC001131898827 971287241 /nfs/dbraw/zinc/28/72/41/971287241.db2.gz FYNDJZZKDDJUFV-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CCC)C1 ZINC001131894629 971287372 /nfs/dbraw/zinc/28/73/72/971287372.db2.gz AJKDCRQQEFXYPO-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CCC(=O)OCCCC ZINC001257386632 971295723 /nfs/dbraw/zinc/29/57/23/971295723.db2.gz WKITZFPZSNQMGU-NWDGAFQWSA-N 1 0 225.332 2.110 20 30 BEEDRO CCCCOC(=O)CC[C@H](C)[NH2+][C@@H](C)CC#N ZINC001257381245 971297981 /nfs/dbraw/zinc/29/79/81/971297981.db2.gz KJBWZNWXNRHIIU-RYUDHWBXSA-N 1 0 240.347 2.390 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@@H]1C ZINC000405749992 971301549 /nfs/dbraw/zinc/30/15/49/971301549.db2.gz XOYZZPHTUOKTLG-BFVZDQMLSA-N 1 0 248.301 2.210 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)CCC(=O)OCCCC ZINC001257400459 971301493 /nfs/dbraw/zinc/30/14/93/971301493.db2.gz PWYRHOAVAXJWHI-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CCC1CC1 ZINC001132304231 971334021 /nfs/dbraw/zinc/33/40/21/971334021.db2.gz KTSHQCOMRORZSS-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCOCc1nn([C@H](C)CC)c2c1C[NH2+]C2 ZINC001257439879 971353652 /nfs/dbraw/zinc/35/36/52/971353652.db2.gz MDYUKJRKIWJUSA-SNVBAGLBSA-N 1 0 235.331 2.160 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H]1CC=CCC1 ZINC001132439873 971354512 /nfs/dbraw/zinc/35/45/12/971354512.db2.gz NZJAPHGDJAGQPK-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)[C@@H](F)CC ZINC001132438242 971355228 /nfs/dbraw/zinc/35/52/28/971355228.db2.gz YILSIWBCDQEIBH-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC(C)=C(C)C ZINC001132463489 971363419 /nfs/dbraw/zinc/36/34/19/971363419.db2.gz UHVNYPYZZFWBFC-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC1(C)C ZINC001132543170 971373715 /nfs/dbraw/zinc/37/37/15/971373715.db2.gz CTAKGOLLPLTSCV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@H](F)C(C)C ZINC001132556944 971377622 /nfs/dbraw/zinc/37/76/22/971377622.db2.gz OILSDACQFGBTOW-VXGBXAGGSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132573360 971382327 /nfs/dbraw/zinc/38/23/27/971382327.db2.gz NFWAYSAFKLPPMB-OLZOCXBDSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](F)C(C)C ZINC001132556943 971378428 /nfs/dbraw/zinc/37/84/28/971378428.db2.gz OILSDACQFGBTOW-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CN(C(=O)CC)CC[C@H]1C ZINC001132570668 971382449 /nfs/dbraw/zinc/38/24/49/971382449.db2.gz AHQBZCIHYRSFGT-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CCC(=C)C ZINC001132573889 971384269 /nfs/dbraw/zinc/38/42/69/971384269.db2.gz RTWWHZLEGDZCBT-OLZOCXBDSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CCC(C)C ZINC001132577695 971384724 /nfs/dbraw/zinc/38/47/24/971384724.db2.gz YXPIQSHPIRFTIT-STQMWFEESA-N 1 0 240.391 2.197 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CCC1(C)C ZINC001132636055 971391278 /nfs/dbraw/zinc/39/12/78/971391278.db2.gz MXEZTVPLHCRCFC-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CCC)CC[C@H]1C ZINC001132607096 971391637 /nfs/dbraw/zinc/39/16/37/971391637.db2.gz XXBDIPUUJXMLJL-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CCC)CC[C@@H]1C ZINC001132607097 971393937 /nfs/dbraw/zinc/39/39/37/971393937.db2.gz XXBDIPUUJXMLJL-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)CC(=C)C ZINC001132653039 971395454 /nfs/dbraw/zinc/39/54/54/971395454.db2.gz CNMYDLRNEPOZJX-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CC[C@H](C)F ZINC001132660157 971397882 /nfs/dbraw/zinc/39/78/82/971397882.db2.gz JQLVOLWKKYFSCI-RYUDHWBXSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CCCCC ZINC001132663529 971399108 /nfs/dbraw/zinc/39/91/08/971399108.db2.gz XSWREXVTXHVXOG-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)CC(=C)C ZINC001132663219 971399343 /nfs/dbraw/zinc/39/93/43/971399343.db2.gz SAWXHLINJSPSFF-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C#CCOCCOCC[NH2+][C@@H](C)CCCCC ZINC001257504830 971427299 /nfs/dbraw/zinc/42/72/99/971427299.db2.gz PKXNJZZHOKFVGR-AWEZNQCLSA-N 1 0 241.375 2.211 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1OCC1CC(C)(C)C1 ZINC001217833577 971427346 /nfs/dbraw/zinc/42/73/46/971427346.db2.gz XLWUWXXORUYSIA-LBPRGKRZSA-N 1 0 209.333 2.357 20 30 BEEDRO N#CC1CCC(OC[C@H]2CCC[NH2+]C2)CC1 ZINC001217832422 971427461 /nfs/dbraw/zinc/42/74/61/971427461.db2.gz SDWJTAJAJMWYKN-CPCZMJQVSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CCCCCF ZINC001133143225 971461248 /nfs/dbraw/zinc/46/12/48/971461248.db2.gz SFKNCBNNLHDALY-UHFFFAOYSA-N 1 0 244.354 2.188 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CC(CC)CC ZINC001133143253 971463006 /nfs/dbraw/zinc/46/30/06/971463006.db2.gz SQUTWKQSUGHRBH-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@H](CCC)OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884726 971478398 /nfs/dbraw/zinc/47/83/98/971478398.db2.gz RUCYWGHNIXEHQS-CRWXNKLISA-N 1 0 239.359 2.125 20 30 BEEDRO SC1CC[NH+]([C@H]2CCCSC2)CC1 ZINC001257676699 971478568 /nfs/dbraw/zinc/47/85/68/971478568.db2.gz LRTASYVYERSVCT-VIFPVBQESA-N 1 0 217.403 2.276 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCCSC2)C1 ZINC001257677277 971482637 /nfs/dbraw/zinc/48/26/37/971482637.db2.gz VOZKUJCUNMEXMP-NEPJUHHUSA-N 1 0 209.358 2.227 20 30 BEEDRO C=C[C@@]1(C)CC[C@@H](OCCC[NH3+])C(C)(C)O1 ZINC001217894065 971492027 /nfs/dbraw/zinc/49/20/27/971492027.db2.gz AGIDBEALYDUUNI-YPMHNXCESA-N 1 0 227.348 2.254 20 30 BEEDRO C=C[C@]1(C)CC[C@@H](OCCC[NH3+])C(C)(C)O1 ZINC001217894063 971493397 /nfs/dbraw/zinc/49/33/97/971493397.db2.gz AGIDBEALYDUUNI-DGCLKSJQSA-N 1 0 227.348 2.254 20 30 BEEDRO C#C[C@@H](CC(C)C)OC[C@@H]1CCC[NH2+]C1 ZINC001217893214 971494031 /nfs/dbraw/zinc/49/40/31/971494031.db2.gz XEDJDHIFDBABTF-OLZOCXBDSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCCC1(C(=O)NCC[NH2+]CC(=C)C)CC1 ZINC001133374314 971503904 /nfs/dbraw/zinc/50/39/04/971503904.db2.gz TUNSPDHGNIYJAU-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]CC(=C)Cl ZINC001133378121 971504674 /nfs/dbraw/zinc/50/46/74/971504674.db2.gz ANJOJDMPYUTPJP-GFCCVEGCSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC ZINC001133422472 971519776 /nfs/dbraw/zinc/51/97/76/971519776.db2.gz DBRJBTOWILPSNB-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@@H](O)C3)C[C@H](C1)C2 ZINC001257886931 971518957 /nfs/dbraw/zinc/51/89/57/971518957.db2.gz QJPKHRQRXVZPNE-LSPKCERGSA-N 1 0 221.344 2.234 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC ZINC001133422470 971521382 /nfs/dbraw/zinc/52/13/82/971521382.db2.gz DBRJBTOWILPSNB-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3COC(=O)C3)C[C@H](C1)C2 ZINC001257888329 971523077 /nfs/dbraw/zinc/52/30/77/971523077.db2.gz GTNJXKLBUKWLCF-HNGCFSAESA-N 1 0 235.327 2.026 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CCN(C#N)CC3)C[C@H](C1)C2 ZINC001257893924 971527627 /nfs/dbraw/zinc/52/76/27/971527627.db2.gz DLUMIGQKCYNKLO-YIONKMFJSA-N 1 0 245.370 2.220 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC1 ZINC001133441670 971527794 /nfs/dbraw/zinc/52/77/94/971527794.db2.gz DLIQCAVTVUKNJY-UWVGGRQHSA-N 1 0 244.766 2.022 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133441669 971528097 /nfs/dbraw/zinc/52/80/97/971528097.db2.gz DLIQCAVTVUKNJY-NXEZZACHSA-N 1 0 244.766 2.022 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC1 ZINC001133449025 971534786 /nfs/dbraw/zinc/53/47/86/971534786.db2.gz YHBAHQGZMXKWGZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO N#C[C@H]1CCCCN1C1CCC2(COC2)CC1 ZINC001257910660 971540364 /nfs/dbraw/zinc/54/03/64/971540364.db2.gz GTVVXUVNTVQNCK-CYBMUJFWSA-N 1 0 234.343 2.324 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CCC1 ZINC001133455270 971542405 /nfs/dbraw/zinc/54/24/05/971542405.db2.gz BAPDWLCOBSXVOO-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C1(CCC)CC1 ZINC001133456462 971542431 /nfs/dbraw/zinc/54/24/31/971542431.db2.gz BNBOHGIFGNPKSV-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257911852 971543608 /nfs/dbraw/zinc/54/36/08/971543608.db2.gz DKKWAURWRDHVSM-ZDUSSCGKSA-N 1 0 234.343 2.181 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1COc2ccc(Cl)cc2C1 ZINC001257952368 971546415 /nfs/dbraw/zinc/54/64/15/971546415.db2.gz HTODKLUIFIDSHG-CABZTGNLSA-N 1 0 235.714 2.255 20 30 BEEDRO C=CCc1ccc(O[C@H]2C[NH2+]C[C@H]2C)cc1 ZINC001217969206 971552830 /nfs/dbraw/zinc/55/28/30/971552830.db2.gz YCIPJBOBAQZLTQ-RISCZKNCSA-N 1 0 217.312 2.402 20 30 BEEDRO Cc1cc(O[C@@H]2CCCC[NH2+]C2)ccc1C#N ZINC001217969984 971554979 /nfs/dbraw/zinc/55/49/79/971554979.db2.gz GIYOVXWMRHAXDN-CQSZACIVSA-N 1 0 230.311 2.388 20 30 BEEDRO Cc1c(C#N)cccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217971808 971555184 /nfs/dbraw/zinc/55/51/84/971555184.db2.gz XHFPONVCRQNNIZ-CYBMUJFWSA-N 1 0 230.311 2.388 20 30 BEEDRO Cc1cccc(C#N)c1O[C@H]1CCCC[NH2+]C1 ZINC001217970269 971555794 /nfs/dbraw/zinc/55/57/94/971555794.db2.gz KEFXACWCACWIKD-ZDUSSCGKSA-N 1 0 230.311 2.388 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)C ZINC001133540432 971556975 /nfs/dbraw/zinc/55/69/75/971556975.db2.gz LWPXSWSXCWGHLB-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217975314 971557058 /nfs/dbraw/zinc/55/70/58/971557058.db2.gz ICPZGGZKXYJDPR-GXTWGEPZSA-N 1 0 248.301 2.336 20 30 BEEDRO CC(C)C[NH+]1CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001258018730 971557191 /nfs/dbraw/zinc/55/71/91/971557191.db2.gz RXVRZVGLPSGZDU-OAHLLOKOSA-N 1 0 249.402 2.342 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258017166 971557485 /nfs/dbraw/zinc/55/74/85/971557485.db2.gz URTPWYGRHURKKD-HNNXBMFYSA-N 1 0 248.414 2.452 20 30 BEEDRO Cc1c(C#N)cccc1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217981879 971558070 /nfs/dbraw/zinc/55/80/70/971558070.db2.gz RVYOEHQCIZZXCV-JSGCOSHPSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C1(CO)COC1 ZINC001258039604 971560336 /nfs/dbraw/zinc/56/03/36/971560336.db2.gz UOAAVUKEMIJJKM-LBPRGKRZSA-N 1 0 229.364 2.086 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@H]1CCC ZINC001133543001 971562115 /nfs/dbraw/zinc/56/21/15/971562115.db2.gz VFUPVAIEFVKSHA-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[NH2+]C[C@H](C)CC)C1 ZINC001133566276 971566115 /nfs/dbraw/zinc/56/61/15/971566115.db2.gz YVYQAMKGTUBBLF-LLVKDONJSA-N 1 0 238.375 2.095 20 30 BEEDRO N#C[C@@H]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001218021120 971572091 /nfs/dbraw/zinc/57/20/91/971572091.db2.gz QFPFVWLQLYTOPE-DGCLKSJQSA-N 1 0 216.284 2.216 20 30 BEEDRO Cc1cc(O[C@@H]2C[NH2+]C[C@H]2C)cc(C)c1C#N ZINC001218034887 971580376 /nfs/dbraw/zinc/58/03/76/971580376.db2.gz SOHVNGCVPCIQEP-BXUZGUMPSA-N 1 0 230.311 2.162 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)/C(C)=C\C ZINC001277157441 1169613330 /nfs/dbraw/zinc/61/33/30/1169613330.db2.gz ZGFSRZXTQZVNDM-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001133661783 971587396 /nfs/dbraw/zinc/58/73/96/971587396.db2.gz DUMFLSPXYORJHS-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)/C(C)=C/C ZINC001277157442 1169612317 /nfs/dbraw/zinc/61/23/17/1169612317.db2.gz ZGFSRZXTQZVNDM-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699503 971588824 /nfs/dbraw/zinc/58/88/24/971588824.db2.gz IRDIIJXIELDYAL-GFCCVEGCSA-N 1 0 235.277 2.387 20 30 BEEDRO Cc1cccc(O[C@H]2C[NH+]3CCC2CC3)c1C#N ZINC001226920450 1169615282 /nfs/dbraw/zinc/61/52/82/1169615282.db2.gz RTNJTLUFNNANKR-HNNXBMFYSA-N 1 0 242.322 2.340 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133758344 971597321 /nfs/dbraw/zinc/59/73/21/971597321.db2.gz IZIXDQGPEGHIGF-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C/CC ZINC001133841022 971605798 /nfs/dbraw/zinc/60/57/98/971605798.db2.gz RXOSJBVSIWFHNK-GTMNMCRUSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCc1ccc(O[C@H]2[C@@H]3C[C@H]2C[NH2+]C3)cc1 ZINC001218149056 971606295 /nfs/dbraw/zinc/60/62/95/971606295.db2.gz HPCLOYFAHLIFDH-NHAGDIPZSA-N 1 0 229.323 2.402 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCCF ZINC001133887979 971616025 /nfs/dbraw/zinc/61/60/25/971616025.db2.gz DROAPNQNSPVYQJ-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC1CC1 ZINC001133888243 971617057 /nfs/dbraw/zinc/61/70/57/971617057.db2.gz HCISTPCRVQEFJY-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1cccc2ccc(O[C@H]3CC[NH2+]C3)cc12 ZINC001218182562 971617326 /nfs/dbraw/zinc/61/73/26/971617326.db2.gz CABIALXSUZEFRR-AWEZNQCLSA-N 1 0 238.290 2.452 20 30 BEEDRO N#Cc1cc(F)ccc1O[C@H]1C[NH+]2CCC1CC2 ZINC001227025303 1169618741 /nfs/dbraw/zinc/61/87/41/1169618741.db2.gz LURIGFISYPBTLO-AWEZNQCLSA-N 1 0 246.285 2.170 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(C)c(F)c1 ZINC001218204585 971627129 /nfs/dbraw/zinc/62/71/29/971627129.db2.gz RCGOUXBBPQLJIC-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(F)ccc1C ZINC001218203446 971627657 /nfs/dbraw/zinc/62/76/57/971627657.db2.gz FTXJKQZSKDVZMS-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO CCc1cccc(CC)c1O[C@H]1C[NH2+]C[C@H]1C#N ZINC001218201477 971628203 /nfs/dbraw/zinc/62/82/03/971628203.db2.gz RQEWDBSGHMDNFP-KGLIPLIRSA-N 1 0 244.338 2.302 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cccc2c1ccn2C ZINC001218208247 971629489 /nfs/dbraw/zinc/62/94/89/971629489.db2.gz YXMRCLKCCZBFPR-OAHLLOKOSA-N 1 0 242.322 2.475 20 30 BEEDRO Cc1cc(O)cc(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001227472522 1169626348 /nfs/dbraw/zinc/62/63/48/1169626348.db2.gz VGGARNVUFMWCOG-CYBMUJFWSA-O 1 0 249.334 2.068 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1=CCCC1 ZINC001134118573 971669267 /nfs/dbraw/zinc/66/92/67/971669267.db2.gz FIFAJYFGVYRXHG-VXGBXAGGSA-N 1 0 236.359 2.156 20 30 BEEDRO CC(C)c1ccc(C#N)c(O[C@H]2CCC[NH2+]C2)n1 ZINC001218279217 971673263 /nfs/dbraw/zinc/67/32/63/971673263.db2.gz NRROGTKUJZCWPZ-LBPRGKRZSA-N 1 0 245.326 2.207 20 30 BEEDRO C=CCc1ccc(O)c(O[C@@H]2CCC[NH2+]C2)c1 ZINC001218284357 971679650 /nfs/dbraw/zinc/67/96/50/971679650.db2.gz VRNQHNNMZUIZBX-GFCCVEGCSA-N 1 0 233.311 2.252 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1ccc(C=C)cc1 ZINC001134207789 971679725 /nfs/dbraw/zinc/67/97/25/971679725.db2.gz RBJDXFXRGSCWGE-UHFFFAOYSA-N 1 0 244.338 2.225 20 30 BEEDRO N#Cc1ccc(Cl)c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218284075 971679835 /nfs/dbraw/zinc/67/98/35/971679835.db2.gz QMSMGLWSVKJCOV-JTQLQIEISA-N 1 0 236.702 2.342 20 30 BEEDRO C=C(C)C(=O)OC[C@H](C)Oc1cccc(C[NH3+])c1 ZINC001218285610 971681857 /nfs/dbraw/zinc/68/18/57/971681857.db2.gz DTJUZBQZIQQNDI-NSHDSACASA-N 1 0 249.310 2.032 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CCCC(C)C ZINC001134202598 971684467 /nfs/dbraw/zinc/68/44/67/971684467.db2.gz QJKUXGRWJMLSNV-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO CCC1=C(Oc2cccc(C[NH3+])c2)C(=O)[C@H](C)O1 ZINC001218288063 971686025 /nfs/dbraw/zinc/68/60/25/971686025.db2.gz RAKBKMBONMTQPN-VIFPVBQESA-N 1 0 247.294 2.134 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001134250843 971686225 /nfs/dbraw/zinc/68/62/25/971686225.db2.gz BNPOTNIOXCPLMK-OLZOCXBDSA-N 1 0 238.375 2.071 20 30 BEEDRO C=C/C=C\CC[N@H+]1CC[C@@H](OCC=C)C1 ZINC001330673132 974399778 /nfs/dbraw/zinc/39/97/78/974399778.db2.gz VDABUZXOWUPRID-CFHLNLSMSA-N 1 0 207.317 2.396 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C/C=C\Cl ZINC001134428441 971721088 /nfs/dbraw/zinc/72/10/88/971721088.db2.gz NJMDEJRPJUJYOB-ALCCZGGFSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCN1CC[NH+]([C@H]2C[C@@H]3[C@H](C2)C3(C)C)CC1 ZINC001170758891 971739656 /nfs/dbraw/zinc/73/96/56/971739656.db2.gz YMAVOLVWAOAECX-BTTYYORXSA-N 1 0 234.387 2.225 20 30 BEEDRO C=CCc1cccc(O[C@@H]2C[NH2+][C@H]2C)c1 ZINC001218384015 971760295 /nfs/dbraw/zinc/76/02/95/971760295.db2.gz BQGOYVNQWGGKTK-GXFFZTMASA-N 1 0 203.285 2.154 20 30 BEEDRO C=CCc1ccccc1O[C@@H]1C[NH2+][C@H]1C ZINC001218389618 971769257 /nfs/dbraw/zinc/76/92/57/971769257.db2.gz WDMHVCOLJYIISN-GXFFZTMASA-N 1 0 203.285 2.154 20 30 BEEDRO C=CCc1ccc(O[C@@H]2C[NH2+][C@H]2C)cc1 ZINC001218393175 971773351 /nfs/dbraw/zinc/77/33/51/971773351.db2.gz SPLHKGZZRCOXDK-GXFFZTMASA-N 1 0 203.285 2.154 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170775816 971800358 /nfs/dbraw/zinc/80/03/58/971800358.db2.gz OZYQSWFDNNFHSN-UPJWGTAASA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001330831079 974494522 /nfs/dbraw/zinc/49/45/22/974494522.db2.gz SMQRBMMBQWMOLJ-RNJOBUHISA-N 1 0 209.333 2.356 20 30 BEEDRO C#C[C@@H](Oc1cccc(C[NH3+])c1)C(C)C ZINC001218441498 971819687 /nfs/dbraw/zinc/81/96/87/971819687.db2.gz WMAYJTDZYWFZOK-CYBMUJFWSA-N 1 0 203.285 2.182 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000309742197 971820978 /nfs/dbraw/zinc/82/09/78/971820978.db2.gz DNGNIGRDPATTLU-VIFPVBQESA-N 1 0 219.263 2.138 20 30 BEEDRO C#C[C@H](C)Oc1ccc(F)cc1C[NH+](C)C ZINC001229854997 1169669402 /nfs/dbraw/zinc/66/94/02/1169669402.db2.gz RCFXTPACACFEEH-JTQLQIEISA-N 1 0 221.275 2.288 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC(F)F ZINC001135011531 971822476 /nfs/dbraw/zinc/82/24/76/971822476.db2.gz FWAJJKABBGJTBP-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO Cc1[nH+]cc(Nc2ccc(OCC#N)cc2)n1C ZINC001212608222 971832303 /nfs/dbraw/zinc/83/23/03/971832303.db2.gz VTSPOPWXZYJQLE-UHFFFAOYSA-N 1 0 242.282 2.375 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC001135189076 971840998 /nfs/dbraw/zinc/84/09/98/971840998.db2.gz SWWMLCNAWAMZLX-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c1 ZINC001231658413 1169677198 /nfs/dbraw/zinc/67/71/98/1169677198.db2.gz VXAOSVSCNDUJJU-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c1 ZINC001231658415 1169676595 /nfs/dbraw/zinc/67/65/95/1169676595.db2.gz VXAOSVSCNDUJJU-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCCOCC2)N=N1 ZINC001170804952 971856901 /nfs/dbraw/zinc/85/69/01/971856901.db2.gz RTCMYLHXPXQQPX-LBPRGKRZSA-N 1 0 235.331 2.111 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCCOCC2)N=N1 ZINC001170804950 971857757 /nfs/dbraw/zinc/85/77/57/971857757.db2.gz RTCMYLHXPXQQPX-GFCCVEGCSA-N 1 0 235.331 2.111 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC001231657814 1169677865 /nfs/dbraw/zinc/67/78/65/1169677865.db2.gz MXVLCSLDRJNOCK-ZDUSSCGKSA-N 1 0 229.323 2.136 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)c2ccc(C)cc2)CC1 ZINC000830326148 971862545 /nfs/dbraw/zinc/86/25/45/971862545.db2.gz DHIYIIYYMQAJFA-MRXNPFEDSA-N 1 0 243.350 2.374 20 30 BEEDRO C#Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C3=O)c1 ZINC001231664102 1169681203 /nfs/dbraw/zinc/68/12/03/1169681203.db2.gz VZQAZZWPKLMZJG-GASCZTMLSA-N 1 0 239.318 2.079 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1(CC)CC1 ZINC001135389884 971885196 /nfs/dbraw/zinc/88/51/96/971885196.db2.gz DSYJGKNNVQRSIZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC)C1 ZINC001135427129 971890616 /nfs/dbraw/zinc/89/06/16/971890616.db2.gz MAJZYODDDOKBRX-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CCC(C)(C)C ZINC001135532559 971909601 /nfs/dbraw/zinc/90/96/01/971909601.db2.gz XBQJXJASLQEIJH-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CCC(C)(C)C ZINC001135536929 971914443 /nfs/dbraw/zinc/91/44/43/971914443.db2.gz CQXKDNKHBATGGG-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCCOCC2)C1 ZINC001170827986 971932329 /nfs/dbraw/zinc/93/23/29/971932329.db2.gz QGWMKSXMJZEQHS-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO N#C[C@H]1CCC[N@@H+]([C@H]2CCCOCC2)CC1 ZINC001170827458 971932974 /nfs/dbraw/zinc/93/29/74/971932974.db2.gz LGCBYAFSXHFPOU-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@@H](C)CC(C)C ZINC001170828669 971939621 /nfs/dbraw/zinc/93/96/21/971939621.db2.gz GZVPVJJHUURRGJ-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO CCCCN(CC#N)[C@H]1CCCOCC1 ZINC001170831438 971952524 /nfs/dbraw/zinc/95/25/24/971952524.db2.gz OWSATNGDYYSVGF-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C/CC ZINC001276801491 971976293 /nfs/dbraw/zinc/97/62/93/971976293.db2.gz PWTJKTQEIQLAFN-WHGQRRHOSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCCCCCCN(C)[C@H]1C[NH2+]C[C@@H]1OC ZINC001237162561 1169700565 /nfs/dbraw/zinc/70/05/65/1169700565.db2.gz XTWQOGLAGGCABA-KBPBESRZSA-N 1 0 242.407 2.266 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[NH2+]CCCS ZINC001172342390 974610371 /nfs/dbraw/zinc/61/03/71/974610371.db2.gz KYRHOQXJTSXHGR-QWRGUYRKSA-N 1 0 219.394 2.490 20 30 BEEDRO C=CC[C@H](C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC001219345291 972003978 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/nfs/dbraw/zinc/22/30/67/972223067.db2.gz MYSXLEAJFQKFEN-UHFFFAOYSA-N 1 0 238.360 2.091 20 30 BEEDRO SCCCNc1c[nH+]cc2cc[nH]c21 ZINC001171002630 972226488 /nfs/dbraw/zinc/22/64/88/972226488.db2.gz VRYJUUKGMDZSPD-UHFFFAOYSA-N 1 0 207.302 2.295 20 30 BEEDRO C=C1CCC(CNC(=O)[C@@H]([NH3+])[C@H](C)CC)CC1 ZINC000724464866 956978061 /nfs/dbraw/zinc/97/80/61/956978061.db2.gz QSEWJUIAJMCIGV-YPMHNXCESA-N 1 0 238.375 2.222 20 30 BEEDRO CC(C)(S)CNC(=O)CCCCCCC[NH3+] ZINC001220484810 972231784 /nfs/dbraw/zinc/23/17/84/972231784.db2.gz VKHWONBSOFWOKK-UHFFFAOYSA-N 1 0 246.420 2.110 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC[C@@H](C)SC)C1 ZINC001208146316 957012955 /nfs/dbraw/zinc/01/29/55/957012955.db2.gz DVYUEPNHHGLBLF-VXGBXAGGSA-N 1 0 211.374 2.473 20 30 BEEDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC000705284971 957075168 /nfs/dbraw/zinc/07/51/68/957075168.db2.gz KQAHSEUTMIAPNP-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000705302480 957106546 /nfs/dbraw/zinc/10/65/46/957106546.db2.gz VYZXVWRUFSHGRV-MFKMUULPSA-N 1 0 248.301 2.043 20 30 BEEDRO C#CCN1CC[NH+](Cc2c(C)cccc2C)CC1 ZINC000089946393 957169373 /nfs/dbraw/zinc/16/93/73/957169373.db2.gz JJTXIFLDHQCRNE-UHFFFAOYSA-N 1 0 242.366 2.054 20 30 BEEDRO C#Cc1cc(NC2=CC[N@H+](C)CC2)ccc1F ZINC001208844218 957183552 /nfs/dbraw/zinc/18/35/52/957183552.db2.gz OSENNJOLZSPRPL-UHFFFAOYSA-N 1 0 230.286 2.438 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc3c2OCC3)CC1 ZINC000692980465 957207068 /nfs/dbraw/zinc/20/70/68/957207068.db2.gz OTACBSUNIBKDOO-UHFFFAOYSA-N 1 0 242.322 2.405 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001266315264 957208733 /nfs/dbraw/zinc/20/87/33/957208733.db2.gz RWHFZFREFFZYGX-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C/C=C(/C)C=C)C1 ZINC001209038594 957296091 /nfs/dbraw/zinc/29/60/91/957296091.db2.gz DZELTSDVLJWYRY-MQJVFOOVSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@H](Oc2ncccn2)C1 ZINC001209163945 957337863 /nfs/dbraw/zinc/33/78/63/957337863.db2.gz OBSFYLREGFSLMQ-ZDUSSCGKSA-N 1 0 247.342 2.286 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001209262317 957370278 /nfs/dbraw/zinc/37/02/78/957370278.db2.gz RXWBYWPYMDAAHN-CYBMUJFWSA-N 1 0 207.317 2.045 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)CCC1CC1 ZINC000385902953 957422780 /nfs/dbraw/zinc/42/27/80/957422780.db2.gz CHHRYZJSIKSXBZ-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCCCCN1CC([NH+](C)C)C1 ZINC001209431500 957464405 /nfs/dbraw/zinc/46/44/05/957464405.db2.gz PHNVCWNJAIWZSJ-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)C1=CCCC1)C1CC1 ZINC001266404250 957479644 /nfs/dbraw/zinc/47/96/44/957479644.db2.gz LMQCCKZDLVGGGV-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)[nH]1 ZINC001209574895 957507386 /nfs/dbraw/zinc/50/73/86/957507386.db2.gz YUUUZRUROFZCRA-GFCCVEGCSA-N 1 0 217.316 2.449 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(C)[nH]2)CC1 ZINC001209579709 957512446 /nfs/dbraw/zinc/51/24/46/957512446.db2.gz XBSJUKBSAFHHJG-UHFFFAOYSA-N 1 0 202.301 2.168 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)OC(C)C)C1 ZINC000705896444 957539124 /nfs/dbraw/zinc/53/91/24/957539124.db2.gz XOLREKAXBFOONU-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)C1CC1 ZINC001125334268 957552585 /nfs/dbraw/zinc/55/25/85/957552585.db2.gz JZSJOOMGXWOJDC-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1c(O)cccc1C#N ZINC001209968882 957589866 /nfs/dbraw/zinc/58/98/66/957589866.db2.gz GCSKHZYQFCGLJS-UHFFFAOYSA-N 1 0 240.266 2.293 20 30 BEEDRO Cc1cc(CC#N)ccc1N[C@H]1CC[N@@H+](C)C1 ZINC001167278800 957627583 /nfs/dbraw/zinc/62/75/83/957627583.db2.gz SPIOMPONCKPVCO-ZDUSSCGKSA-N 1 0 229.327 2.177 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC(C2CCC2)CC1 ZINC000693087437 957668236 /nfs/dbraw/zinc/66/82/36/957668236.db2.gz KEEAXWSUSQLWSW-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693110419 957676205 /nfs/dbraw/zinc/67/62/05/957676205.db2.gz QYLWMCMJPPMAQT-TUAOUCFPSA-N 1 0 209.333 2.044 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000693107769 957679323 /nfs/dbraw/zinc/67/93/23/957679323.db2.gz XYQWZYOKTDDDCY-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000316534007 972284155 /nfs/dbraw/zinc/28/41/55/972284155.db2.gz QBWHPRILUTZCSP-KGLIPLIRSA-N 1 0 243.391 2.022 20 30 BEEDRO SC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC001136880813 972292215 /nfs/dbraw/zinc/29/22/15/972292215.db2.gz GYXABDNCPMUKDZ-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1ccccc1C#N ZINC001210739750 957859701 /nfs/dbraw/zinc/85/97/01/957859701.db2.gz SNBOXYCOKRVXFV-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]CC(=C)C ZINC001167362748 957897255 /nfs/dbraw/zinc/89/72/55/957897255.db2.gz ANOONQVEZZHBNS-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)CC[N@@H+](CCNC(=O)CCC)C1CC1 ZINC001266581491 957910190 /nfs/dbraw/zinc/91/01/90/957910190.db2.gz COHYSKDCUROREQ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]CC(C)C ZINC001167369585 957912833 /nfs/dbraw/zinc/91/28/33/957912833.db2.gz HMFOUMWAYLMEBQ-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[N@@H+](CCNC(=O)/C=C(/C)CC)C1CC1 ZINC001266591102 957929829 /nfs/dbraw/zinc/92/98/29/957929829.db2.gz ZMYYYHPGRCSVOY-QXMHVHEDSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@@H+](CCNC(=O)CCC(=C)C)C1CC1 ZINC001266594670 957943941 /nfs/dbraw/zinc/94/39/41/957943941.db2.gz PSGPYUWGHFGWSN-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)/C(C)=C\C ZINC001125443209 957959387 /nfs/dbraw/zinc/95/93/87/957959387.db2.gz FMHWEHHUEYPFRD-ACAGNQJTSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)/C(C)=C\C ZINC001125443937 957961174 /nfs/dbraw/zinc/96/11/74/957961174.db2.gz QULYCIONZZLCTC-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2oncc2C#N)c1 ZINC001211136161 958044942 /nfs/dbraw/zinc/04/49/42/958044942.db2.gz RYHRHNWIGRHSLW-UHFFFAOYSA-N 1 0 228.255 2.009 20 30 BEEDRO CCCCCCC[NH2+]CCN(C)C(C)=O ZINC001266624304 958070408 /nfs/dbraw/zinc/07/04/08/958070408.db2.gz YYZMWBCMTRDBSS-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(C(C)(C)C#N)nc1 ZINC001211246952 958107913 /nfs/dbraw/zinc/10/79/13/958107913.db2.gz YYAAKYABCHKBAW-UHFFFAOYSA-N 1 0 241.298 2.360 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnc(OC)c(C)c1 ZINC001137006540 972320990 /nfs/dbraw/zinc/32/09/90/972320990.db2.gz VVTXIAKTEBKSLN-UHFFFAOYSA-N 1 0 206.289 2.016 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)/C(C)=C/C ZINC001266670972 958208404 /nfs/dbraw/zinc/20/84/04/958208404.db2.gz ALGIQEYOWSCODF-WHGQRRHOSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)/C=C(\C)CC ZINC001266692620 958258330 /nfs/dbraw/zinc/25/83/30/958258330.db2.gz XNPSOWHENLPKLL-ACCUITESSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](CCC)C(C)C ZINC001167468201 958349910 /nfs/dbraw/zinc/34/99/10/958349910.db2.gz NPZYNKKDUOIIIM-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)C1(C)CCC1 ZINC001266806386 958414553 /nfs/dbraw/zinc/41/45/53/958414553.db2.gz UPSKOLIOSDPFRQ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)CC1CC1 ZINC001480898072 958553999 /nfs/dbraw/zinc/55/39/99/958553999.db2.gz DFXMZHPZBQHYJQ-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H](C)CCC ZINC001266926635 958599986 /nfs/dbraw/zinc/59/99/86/958599986.db2.gz CMKZMKNFSWHXCT-KOLCDFICSA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C)CCCC ZINC001266935001 958623311 /nfs/dbraw/zinc/62/33/11/958623311.db2.gz DYSPGYORYBMDLT-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC1(C)C ZINC001266964912 958669852 /nfs/dbraw/zinc/66/98/52/958669852.db2.gz RYMAPYAOMNJPNI-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C1(C)CCCCC1 ZINC001266967227 958679860 /nfs/dbraw/zinc/67/98/60/958679860.db2.gz CRIZLSZKMWNYRX-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CCCC)C1 ZINC001267031569 958776262 /nfs/dbraw/zinc/77/62/62/958776262.db2.gz ZPLKMHFWVJQEPM-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCN(C(=O)CCCC)C1 ZINC001267031568 958776801 /nfs/dbraw/zinc/77/68/01/958776801.db2.gz ZPLKMHFWVJQEPM-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC)C1 ZINC001267072695 958828000 /nfs/dbraw/zinc/82/80/00/958828000.db2.gz HQSSHSOXMJRROC-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)CC(C)C ZINC001267117907 958897210 /nfs/dbraw/zinc/89/72/10/958897210.db2.gz DLVCHEZNXZJFNA-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H](C)CC ZINC001267119366 958900237 /nfs/dbraw/zinc/90/02/37/958900237.db2.gz DESKPDBXGIWDKN-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)c1ccc(-n2cccc2C[NH3+])nc1 ZINC001167586408 958965598 /nfs/dbraw/zinc/96/55/98/958965598.db2.gz NZTUBGGBLMDHIT-UHFFFAOYSA-N 1 0 213.284 2.364 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C1=CCCC1 ZINC001125638501 959170155 /nfs/dbraw/zinc/17/01/55/959170155.db2.gz OTRYOGAHWKLODZ-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[NH+]1CCC(CNC(=O)CCC)CC1 ZINC001222233367 972415470 /nfs/dbraw/zinc/41/54/70/972415470.db2.gz SVSLVQRNFMSSEY-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)CCC(F)F ZINC001267244757 959298134 /nfs/dbraw/zinc/29/81/34/959298134.db2.gz PFLYQSIIJGCPEY-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCN(CC[NH+](C)C)Cc1ccccc1 ZINC000197865552 972438284 /nfs/dbraw/zinc/43/82/84/972438284.db2.gz DEIDCMDANPVQCO-UHFFFAOYSA-N 1 0 218.344 2.236 20 30 BEEDRO C=CCCCCCCN1CC2(C1)CC[NH2+]C2 ZINC001222379936 972449214 /nfs/dbraw/zinc/44/92/14/972449214.db2.gz PBKUAXUXCMRTMI-UHFFFAOYSA-N 1 0 222.376 2.418 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]CC(C)(C)C#N ZINC000694083037 959715698 /nfs/dbraw/zinc/71/56/98/959715698.db2.gz MHSFALZGCQJZSF-NSHDSACASA-N 1 0 217.316 2.152 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000694081903 959716180 /nfs/dbraw/zinc/71/61/80/959716180.db2.gz OQTJFMYFOYRYBC-JTQLQIEISA-N 1 0 210.708 2.355 20 30 BEEDRO C=CC[C@H](OC[C@H]1COC(C)(C)[NH2+]1)C(C)C ZINC001217925397 959772670 /nfs/dbraw/zinc/77/26/70/959772670.db2.gz ORECQJPJKPUKDJ-RYUDHWBXSA-N 1 0 227.348 2.328 20 30 BEEDRO C=CCC[C@H](CC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217924551 959773391 /nfs/dbraw/zinc/77/33/91/959773391.db2.gz JVTSIVSPKDDTSS-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC000724833552 959801277 /nfs/dbraw/zinc/80/12/77/959801277.db2.gz BVMKCCNTFSKDAS-GJZGRUSLSA-N 1 0 242.322 2.169 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)CCC1CC1 ZINC001480968485 959867504 /nfs/dbraw/zinc/86/75/04/959867504.db2.gz ZMMCQFBCEPNTFZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@@H+](CC)CCNC(=O)[C@H](C)CCC ZINC001480968487 959867810 /nfs/dbraw/zinc/86/78/10/959867810.db2.gz ZPDFFXYIYWGJGK-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000309497245 959890157 /nfs/dbraw/zinc/89/01/57/959890157.db2.gz YTJJPRHFLZLOAS-ZYHUDNBSSA-N 1 0 221.300 2.244 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CC(C)(C)C ZINC001481026960 959921165 /nfs/dbraw/zinc/92/11/65/959921165.db2.gz XSMPLSKLZAIGHR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC(C)(C)C ZINC001481026959 959921585 /nfs/dbraw/zinc/92/15/85/959921585.db2.gz XSMPLSKLZAIGHR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000383127421 959998338 /nfs/dbraw/zinc/99/83/38/959998338.db2.gz HXEVBOJYVZQWSS-KBPBESRZSA-N 1 0 236.403 2.356 20 30 BEEDRO Cc1cccc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c1C#N ZINC001218401492 960060479 /nfs/dbraw/zinc/06/04/79/960060479.db2.gz ZYVRZMSYCSMJAS-VXGBXAGGSA-N 1 0 230.311 2.386 20 30 BEEDRO C=CC[N@H+]1CC[C@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001481105533 960065767 /nfs/dbraw/zinc/06/57/67/960065767.db2.gz KVMRMQGOVSVPJH-YGLIYXGISA-N 1 0 248.370 2.133 20 30 BEEDRO C=C(C)C[N@H+](CCNC(=O)C1=CCCC1)C1CC1 ZINC001481165335 960136256 /nfs/dbraw/zinc/13/62/56/960136256.db2.gz NEAHMEPJPGZQNC-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001267737215 960255501 /nfs/dbraw/zinc/25/55/01/960255501.db2.gz AIFQXKCHESJTSY-CEFACKQISA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Cl)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000692557431 960294060 /nfs/dbraw/zinc/29/40/60/960294060.db2.gz QPZHFVGEXXBEHO-IEBDPFPHSA-N 1 0 216.756 2.187 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](CC=C)C1 ZINC001267771129 960321863 /nfs/dbraw/zinc/32/18/63/960321863.db2.gz ZKKDGAXKYPJRHH-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)/C(C)=C\C)C1 ZINC001267785458 960352163 /nfs/dbraw/zinc/35/21/63/960352163.db2.gz PJAIXNGIUPXTAL-TZQNSNDFSA-N 1 0 236.359 2.061 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC(F)CC2)cc1 ZINC000689881393 960425652 /nfs/dbraw/zinc/42/56/52/960425652.db2.gz ABJXMEJKRTXFDN-UHFFFAOYSA-N 1 0 218.275 2.492 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695780824 960454977 /nfs/dbraw/zinc/45/49/77/960454977.db2.gz VWVVDWUDTCXERP-SRVKXCTJSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1CCOCC1 ZINC000695813430 960490789 /nfs/dbraw/zinc/49/07/89/960490789.db2.gz UBCYIHWEUMVQLX-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000695836961 960500267 /nfs/dbraw/zinc/50/02/67/960500267.db2.gz PEAONOODLZXQTF-YRGRVCCFSA-N 1 0 238.375 2.455 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@@H+](Cc1cc[nH]c1)C2 ZINC001140704916 960510315 /nfs/dbraw/zinc/51/03/15/960510315.db2.gz OXUJEAWDRWWHBV-UHFFFAOYSA-N 1 0 237.306 2.445 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC000390438523 960522596 /nfs/dbraw/zinc/52/25/96/960522596.db2.gz UFKYONMNGVMNQU-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]c1 ZINC001140708965 960530727 /nfs/dbraw/zinc/53/07/27/960530727.db2.gz OBGHPUJRZZEPTK-XYYAHUGASA-N 1 0 215.300 2.281 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747701 960548612 /nfs/dbraw/zinc/54/86/12/960548612.db2.gz FYTMXNFVALLAPY-GFCCVEGCSA-N 1 0 245.322 2.251 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)c(C#N)c(F)c1 ZINC001140754530 960550352 /nfs/dbraw/zinc/55/03/52/960550352.db2.gz CYKCYFJLRBUZIM-UHFFFAOYSA-N 1 0 222.238 2.454 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747703 960554720 /nfs/dbraw/zinc/55/47/20/960554720.db2.gz FYTMXNFVALLAPY-LBPRGKRZSA-N 1 0 245.322 2.251 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C(C)(C)O ZINC000695888405 960566553 /nfs/dbraw/zinc/56/65/53/960566553.db2.gz USFBXTGEJIVEPQ-ZJUUUORDSA-N 1 0 212.337 2.064 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2cccc(O)c2n1 ZINC001141022645 960821673 /nfs/dbraw/zinc/82/16/73/960821673.db2.gz ZPLHDDVQGIGJFU-UHFFFAOYSA-N 1 0 226.279 2.005 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000686673785 960781657 /nfs/dbraw/zinc/78/16/57/960781657.db2.gz HSXRVOWOJAFSKS-CQSZACIVSA-N 1 0 223.360 2.274 20 30 BEEDRO C[NH+](C)CCCNc1ccc(C#N)cc1F ZINC000037412590 960866529 /nfs/dbraw/zinc/86/65/29/960866529.db2.gz AVIMJXWLYBNRNG-UHFFFAOYSA-N 1 0 221.279 2.061 20 30 BEEDRO N#Cc1c(N)sc(C[NH+]2CCCC2)c1Cl ZINC001141108978 960868365 /nfs/dbraw/zinc/86/83/65/960868365.db2.gz KRBITDDZDBZINF-UHFFFAOYSA-N 1 0 241.747 2.451 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC(C)C ZINC001268049959 961049291 /nfs/dbraw/zinc/04/92/91/961049291.db2.gz IQODKJZDZXKUGY-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CC ZINC001268051346 961055608 /nfs/dbraw/zinc/05/56/08/961055608.db2.gz XECROYNLUQDSPD-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]CCCC ZINC001268055589 961089781 /nfs/dbraw/zinc/08/97/81/961089781.db2.gz WOHOYXYKOSSLMP-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]CCCC ZINC001268055590 961090214 /nfs/dbraw/zinc/09/02/14/961090214.db2.gz WOHOYXYKOSSLMP-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CCC(C)(F)F ZINC001268071153 961135809 /nfs/dbraw/zinc/13/58/09/961135809.db2.gz NNTINCZLEZHYCC-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC(NC(=O)C=C(C)C)C1 ZINC001481541900 961151347 /nfs/dbraw/zinc/15/13/47/961151347.db2.gz ZWUKWMXADKPSDV-LBPRGKRZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC(C)=C(C)C ZINC001268079049 961151626 /nfs/dbraw/zinc/15/16/26/961151626.db2.gz NXACAGOZPJXDTH-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(NC(=O)C2=CCCC2)C1 ZINC001481553572 961194675 /nfs/dbraw/zinc/19/46/75/961194675.db2.gz ISCBNLHFOHGHEP-GFCCVEGCSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC(C)(C)CC(=O)NC1C[NH+](CC(C)C)C1 ZINC001481560295 961205587 /nfs/dbraw/zinc/20/55/87/961205587.db2.gz FUVQWDJYMUIKET-UHFFFAOYSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@@H](C)CC ZINC001126317691 961264956 /nfs/dbraw/zinc/26/49/56/961264956.db2.gz WYHUNFWNZVOEKS-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)cc1C#N ZINC001139723145 961316242 /nfs/dbraw/zinc/31/62/42/961316242.db2.gz RVCUVRYYNCATDG-WFASDCNBSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)c1ccccc1 ZINC001268229352 961450182 /nfs/dbraw/zinc/45/01/82/961450182.db2.gz FONPXDLZIMOHPU-UHFFFAOYSA-N 1 0 246.354 2.267 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)c1ccccc1C ZINC001268230888 961459034 /nfs/dbraw/zinc/45/90/34/961459034.db2.gz WFEHVNOQVFSXBY-UHFFFAOYSA-N 1 0 246.354 2.185 20 30 BEEDRO CCC#CCOC(=O)c1ccc2c[nH+]cn2c1C ZINC001343976122 961542278 /nfs/dbraw/zinc/54/22/78/961542278.db2.gz SWWPXNDMKMWUPO-UHFFFAOYSA-N 1 0 242.278 2.213 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CC[N@H+](CC(=C)C)C1 ZINC001481701963 961595431 /nfs/dbraw/zinc/59/54/31/961595431.db2.gz PUJCJAUQMMFVHZ-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc3[nH]cnc32)C1 ZINC001142690033 961619909 /nfs/dbraw/zinc/61/99/09/961619909.db2.gz QCXYEPVTWBNCAS-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C)CC)C1 ZINC001481713123 961636250 /nfs/dbraw/zinc/63/62/50/961636250.db2.gz KSKZVLOJMBTHIF-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)CC)C1 ZINC001481713125 961638906 /nfs/dbraw/zinc/63/89/06/961638906.db2.gz KSKZVLOJMBTHIF-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H](F)C(C)C ZINC001268391662 961708655 /nfs/dbraw/zinc/70/86/55/961708655.db2.gz COCNWOYXFLUEIJ-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO SC1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142879202 961810426 /nfs/dbraw/zinc/81/04/26/961810426.db2.gz MRPBZDUKSWNZQT-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)CC1(C)CC1 ZINC001481833693 961840835 /nfs/dbraw/zinc/84/08/35/961840835.db2.gz BFBIBNWOJBHXGW-GFCCVEGCSA-N 1 0 238.375 2.237 20 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20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CCCCCC ZINC001149813926 962135650 /nfs/dbraw/zinc/13/56/50/962135650.db2.gz KMLQJHKPQZJHGW-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(C#N)nc2)C1 ZINC001225499083 962205696 /nfs/dbraw/zinc/20/56/96/962205696.db2.gz GPUJKRXAKKHADB-CQSZACIVSA-N 1 0 245.326 2.205 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)c1cccc(C)c1C ZINC001268670422 962257410 /nfs/dbraw/zinc/25/74/10/962257410.db2.gz BURPXGYOFZRAOO-GFCCVEGCSA-N 1 0 246.354 2.197 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1CCC1 ZINC001151516236 962296026 /nfs/dbraw/zinc/29/60/26/962296026.db2.gz DLGNHQHCRWDVTM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CC1CC1 ZINC001151528156 962309005 /nfs/dbraw/zinc/30/90/05/962309005.db2.gz UJHXAPBTVOHQQF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H](C)CC ZINC001268780499 962341417 /nfs/dbraw/zinc/34/14/17/962341417.db2.gz WFYOJHASLSFRCU-SNVBAGLBSA-N 1 0 246.782 2.223 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC ZINC001151921395 962357908 /nfs/dbraw/zinc/35/79/08/962357908.db2.gz IJFAKSUIAWSOCE-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC ZINC001152013240 962364195 /nfs/dbraw/zinc/36/41/95/962364195.db2.gz JBJRVYYFQITIGE-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)C(C)(CC)CC)C1 ZINC001268911827 962374802 /nfs/dbraw/zinc/37/48/02/962374802.db2.gz SQJJVFIRSQBKBE-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC1([NH2+]C[C@H](O)C(C)(C)C)CCCCC1 ZINC001253750741 1169805729 /nfs/dbraw/zinc/80/57/29/1169805729.db2.gz DHLQOVPOGMNTKC-LBPRGKRZSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](NC(=O)C=C(C)C)C1 ZINC001269104928 962453431 /nfs/dbraw/zinc/45/34/31/962453431.db2.gz ZYYATCCODLXPQC-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H](NC(=O)CCC=C)C1 ZINC001269118084 962463242 /nfs/dbraw/zinc/46/32/42/962463242.db2.gz LXEAWCRTFWVZPV-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1=CCCC1 ZINC001152734500 962469923 /nfs/dbraw/zinc/46/99/23/962469923.db2.gz VDGAJIRSJHQMMT-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CCCC ZINC001269201281 962524358 /nfs/dbraw/zinc/52/43/58/962524358.db2.gz VMCREJXAVLDTDO-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@H]1CCCC[C@H]1C ZINC001153245612 962561666 /nfs/dbraw/zinc/56/16/66/962561666.db2.gz DQVVBZCOOFUIFR-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C1(C)CC1 ZINC001153506764 962595679 /nfs/dbraw/zinc/59/56/79/962595679.db2.gz CSKYYZWGTRMMOF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)CO1 ZINC000711130150 962615545 /nfs/dbraw/zinc/61/55/45/962615545.db2.gz PFCNOVSGPNJPLM-VHSXEESVSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)C[C@H]1C=CCC1 ZINC001269366994 962628716 /nfs/dbraw/zinc/62/87/16/962628716.db2.gz YJNVSWZOEFTILQ-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)/C(C)=C\C ZINC001269384669 962642068 /nfs/dbraw/zinc/64/20/68/962642068.db2.gz VZUQPVTVYOOVFE-YOOZJCNJSA-N 1 0 244.766 2.190 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711193836 962652420 /nfs/dbraw/zinc/65/24/20/962652420.db2.gz MJNAWEJCXYCSEB-QDMKHBRRSA-N 1 0 234.387 2.110 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H](CC)[NH2+]CC ZINC001269476744 962683293 /nfs/dbraw/zinc/68/32/93/962683293.db2.gz GUPSTLOLABUICI-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C1CCCC1 ZINC001154090500 962702505 /nfs/dbraw/zinc/70/25/05/962702505.db2.gz RDMTZVSOEUTSGD-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(F)F ZINC001154117916 962708715 /nfs/dbraw/zinc/70/87/15/962708715.db2.gz GHPOGOCEPAVFKK-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)(F)F ZINC001154117915 962709838 /nfs/dbraw/zinc/70/98/38/962709838.db2.gz GHPOGOCEPAVFKK-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC1CCCC1 ZINC001154282592 962747064 /nfs/dbraw/zinc/74/70/64/962747064.db2.gz SHRRZWNBZJCDHG-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC001254653680 1169814327 /nfs/dbraw/zinc/81/43/27/1169814327.db2.gz PASFDGZRVKVLJI-AEGPPILISA-N 1 0 244.338 2.044 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C=C(C)C ZINC001154349568 962762592 /nfs/dbraw/zinc/76/25/92/962762592.db2.gz LHTZNKRBLHBBCJ-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCC(C)C ZINC001154454746 962779767 /nfs/dbraw/zinc/77/97/67/962779767.db2.gz VJDYXLRZCLHXIF-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001154665475 962829995 /nfs/dbraw/zinc/82/99/95/962829995.db2.gz HOMWXIDQZXFUOL-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)CC ZINC001269989001 962831383 /nfs/dbraw/zinc/83/13/83/962831383.db2.gz KUGBUPXVKMZPTQ-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN1C(=O)CC ZINC001269988998 962832166 /nfs/dbraw/zinc/83/21/66/962832166.db2.gz KUGBUPXVKMZPTQ-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CCC ZINC001270114174 962870055 /nfs/dbraw/zinc/87/00/55/962870055.db2.gz XSNVYJULDJXJOK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH+]1CCC(C)(NC(=O)C(C)C)CC1 ZINC001270208427 962902039 /nfs/dbraw/zinc/90/20/39/962902039.db2.gz RPOMKJZSCXRZDW-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH+]1CCC(C)(NC(=O)CCC)CC1 ZINC001270201745 962902591 /nfs/dbraw/zinc/90/25/91/962902591.db2.gz ZPQXWQJQQOJOCH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCCCNc1nc(N2CCCC2)cc(C)[nH+]1 ZINC001155010740 962942033 /nfs/dbraw/zinc/94/20/33/962942033.db2.gz QTRGGZANCULAFW-UHFFFAOYSA-N 1 0 244.342 2.211 20 30 BEEDRO CCCCC[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668554 1169815856 /nfs/dbraw/zinc/81/58/56/1169815856.db2.gz ITILCRXBMJAIMX-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO CC(C)c1ccc(C#N)c(N[C@@H]2CC[NH2+][C@@H]2C)n1 ZINC001155187912 963011446 /nfs/dbraw/zinc/01/14/46/963011446.db2.gz UMMKWYPZGWSVIL-ZWNOBZJWSA-N 1 0 244.342 2.239 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)CCC1(C)CC1 ZINC001270558886 963013283 /nfs/dbraw/zinc/01/32/83/963013283.db2.gz GVPCKQJSCUVBGH-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCN(C)CC1 ZINC001254669742 1169818136 /nfs/dbraw/zinc/81/81/36/1169818136.db2.gz UQHIVIFYIVJXQP-TZMCWYRMSA-N 1 0 235.375 2.095 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)C1 ZINC001254668369 1169816964 /nfs/dbraw/zinc/81/69/64/1169816964.db2.gz GIGTWHUSCHNFMS-FRRDWIJNSA-N 1 0 217.316 2.304 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C(C)=C/CC ZINC001155290982 963043707 /nfs/dbraw/zinc/04/37/07/963043707.db2.gz BIFMJPOMRFDFOQ-KPKJPENVSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C(C)=C/CC ZINC001155319714 963047078 /nfs/dbraw/zinc/04/70/78/963047078.db2.gz VXWBXNJICCSXPJ-XYOKQWHBSA-N 1 0 224.348 2.015 20 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C=CCCC[NH2+]CCCNC(=O)/C=C\C1CC1 ZINC001156179670 963274263 /nfs/dbraw/zinc/27/42/63/963274263.db2.gz ZAJYBHBDHKHXHQ-HJWRWDBZSA-N 1 0 236.359 2.015 20 30 BEEDRO CC[C@H](CC#N)N1CCC([NH3+])(CC2CC2)CC1 ZINC001255159822 1169822615 /nfs/dbraw/zinc/82/26/15/1169822615.db2.gz CCFJURFMJYAHCL-CYBMUJFWSA-N 1 0 235.375 2.272 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H](C)C[NH2+]CC1CC1 ZINC001271081535 963349172 /nfs/dbraw/zinc/34/91/72/963349172.db2.gz DZKKWAPGTFYFSU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895563214 963434647 /nfs/dbraw/zinc/43/46/47/963434647.db2.gz XCKVCOGEHKDWMI-ZDUSSCGKSA-N 1 0 243.354 2.453 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCC(=C)C ZINC001156679129 963435330 /nfs/dbraw/zinc/43/53/30/963435330.db2.gz KQBLJUQGCNEXPQ-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(C)=O ZINC001482481210 963491949 /nfs/dbraw/zinc/49/19/49/963491949.db2.gz IGHIULKQALXQMF-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2cnc(C#N)c(C)c2)C1 ZINC001227350411 963502775 /nfs/dbraw/zinc/50/27/75/963502775.db2.gz OYONVLBBRPQZQH-GFCCVEGCSA-N 1 0 245.326 2.125 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C[C@H](C)CC ZINC001157141618 963543397 /nfs/dbraw/zinc/54/33/97/963543397.db2.gz WJVNCLFMKFAEID-SNVBAGLBSA-N 1 0 246.782 2.271 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccc(CC#N)cc1 ZINC000714004054 963572245 /nfs/dbraw/zinc/57/22/45/963572245.db2.gz XOVJTHQVYVONAS-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)CCCC ZINC001157378693 963588059 /nfs/dbraw/zinc/58/80/59/963588059.db2.gz NAAPHHWVYGOQRN-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO Cc1ccc(CC#N)c(NC2(C)CC[NH2+]CC2)n1 ZINC001157402614 963596249 /nfs/dbraw/zinc/59/62/49/963596249.db2.gz GAVMZKITTWJAAL-UHFFFAOYSA-N 1 0 244.342 2.010 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CCCCN1C(=O)CC ZINC001157423492 963600329 /nfs/dbraw/zinc/60/03/29/963600329.db2.gz VGZHLCHLIGVJRL-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CCO1 ZINC001168080110 963624218 /nfs/dbraw/zinc/62/42/18/963624218.db2.gz UIFVMLFRGGFRPH-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001204800324 963632386 /nfs/dbraw/zinc/63/23/86/963632386.db2.gz CBMGYTQACIZUQL-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)CCC)C(C)C ZINC001271800539 963638627 /nfs/dbraw/zinc/63/86/27/963638627.db2.gz SUJXGPWTHHTILB-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(=O)N(C)CC[N@@H+](C)CCCC ZINC001271977310 963726072 /nfs/dbraw/zinc/72/60/72/963726072.db2.gz MSFMXGRDLVKWQY-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C[NH2+]CCN(c1ncc(C)cc1C#N)C(C)(C)C ZINC001157825623 963741514 /nfs/dbraw/zinc/74/15/14/963741514.db2.gz MYCAJFAXLYPUQW-UHFFFAOYSA-N 1 0 246.358 2.086 20 30 BEEDRO C[C@H]1C[C@@H]([NH+]2CCC(C)(C#N)CC2)CCO1 ZINC001168137143 963835388 /nfs/dbraw/zinc/83/53/88/963835388.db2.gz NHHBINKPTWIIAE-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(Cl)C(C)(C)C(=O)NCCC[NH2+]C(C)C ZINC001158850037 963941520 /nfs/dbraw/zinc/94/15/20/963941520.db2.gz MVRUYNZJAFOBKH-UHFFFAOYSA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC(=C)C ZINC001159021347 963975148 /nfs/dbraw/zinc/97/51/48/963975148.db2.gz SEQUHYNWSLVHIZ-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168229756 964010241 /nfs/dbraw/zinc/01/02/41/964010241.db2.gz ZTWRLBNLNYPLNL-ZDUSSCGKSA-N 1 0 229.323 2.164 20 30 BEEDRO F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(CS)cc1 ZINC001168230936 964016564 /nfs/dbraw/zinc/01/65/64/964016564.db2.gz HQCQGTKEDBLOSQ-NEPJUHHUSA-N 1 0 240.347 2.228 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCCS)C2 ZINC001168241260 964042357 /nfs/dbraw/zinc/04/23/57/964042357.db2.gz HLIJGZXXASKSGO-LBPRGKRZSA-N 1 0 237.368 2.072 20 30 BEEDRO CC(C)(S)CNc1cc(CC#N)ccn1 ZINC001159268201 964044211 /nfs/dbraw/zinc/04/42/11/964044211.db2.gz OPAPHQDDIHBSIG-UHFFFAOYSA-N 1 0 221.329 2.268 20 30 BEEDRO CCc1cc(C#N)ccc1NC1=CCC[NH2+]C1 ZINC001159490685 964113574 /nfs/dbraw/zinc/11/35/74/964113574.db2.gz SKDPGZMECUUYIL-UHFFFAOYSA-N 1 0 227.311 2.410 20 30 BEEDRO N#Cc1cc(F)c(NC2=C[NH2+]CCC2)cc1F ZINC001159501642 964118038 /nfs/dbraw/zinc/11/80/38/964118038.db2.gz FGXGFEBCOAKKMO-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)C(C)(C)CC ZINC001496770456 964182573 /nfs/dbraw/zinc/18/25/73/964182573.db2.gz GZKMZCSXXMQSQI-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO SCCCNc1ccc2c([nH+]1)CCC2 ZINC001159870038 964216506 /nfs/dbraw/zinc/21/65/06/964216506.db2.gz JTCMEIMWDBAPIJ-UHFFFAOYSA-N 1 0 208.330 2.302 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)/C=C(\C)CC ZINC001482829622 964217018 /nfs/dbraw/zinc/21/70/18/964217018.db2.gz CTZBSGGKIHPSBN-HCRIHEDKSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)/C=C(/C)CC ZINC001126757801 964226951 /nfs/dbraw/zinc/22/69/51/964226951.db2.gz JHFVUMUHPAPZIF-BENRWUELSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCC[NH2+]CCN(CC)C(=O)[C@@H](C)CC ZINC001482910933 964236201 /nfs/dbraw/zinc/23/62/01/964236201.db2.gz IOJZONMRPLTESY-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)C(C)(F)F ZINC001482909131 964236428 /nfs/dbraw/zinc/23/64/28/964236428.db2.gz VXWOPIVOTXLJOY-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)C1(C)CC1 ZINC001482927228 964241378 /nfs/dbraw/zinc/24/13/78/964241378.db2.gz REOUERNBVBAPHR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#Cc1ccc(NC=C2CC[NH2+]CC2)cc1F ZINC001160241795 964271211 /nfs/dbraw/zinc/27/12/11/964271211.db2.gz NJRXSTXRMFPYON-UHFFFAOYSA-N 1 0 230.286 2.486 20 30 BEEDRO C=C(C)C(=O)NC[C@@H](C)CC(C)(C)CC[NH3+] ZINC001142517920 964357146 /nfs/dbraw/zinc/35/71/46/964357146.db2.gz GUMCNTIZWATIGT-NSHDSACASA-N 1 0 226.364 2.080 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H]1C=CCCC1 ZINC001160803521 964415380 /nfs/dbraw/zinc/41/53/80/964415380.db2.gz PIFFEFDIHHQWDN-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO CC(C)[NH+]1CC(Nc2cccc(F)c2CC#N)C1 ZINC001168317713 964436136 /nfs/dbraw/zinc/43/61/36/964436136.db2.gz UFRQVQSPBXOMBU-UHFFFAOYSA-N 1 0 247.317 2.396 20 30 BEEDRO Cc1ccc(CC#N)c(N[C@@H](C[NH3+])C(C)(C)C)n1 ZINC001160914680 964444517 /nfs/dbraw/zinc/44/45/17/964444517.db2.gz SUEHTQFIBUFETE-LBPRGKRZSA-N 1 0 246.358 2.241 20 30 BEEDRO Cc1ccc(NCC[C@H]2CCC[N@H+]2C)nc1C#N ZINC001160964800 964458927 /nfs/dbraw/zinc/45/89/27/964458927.db2.gz PPERJCYJIRCMGQ-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1cnc(NCC[C@H]2CCC[N@H+]2C)c(C#N)c1 ZINC001160966430 964460486 /nfs/dbraw/zinc/46/04/86/964460486.db2.gz HFJVLADZKSSJIR-CYBMUJFWSA-N 1 0 244.342 2.158 20 30 BEEDRO N#Cc1cncc(CNc2[nH+]ccc3[nH]ccc32)c1 ZINC001160989679 964471357 /nfs/dbraw/zinc/47/13/57/964471357.db2.gz JMKSYXDVEZYHAO-UHFFFAOYSA-N 1 0 249.277 2.442 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC001483119786 964653914 /nfs/dbraw/zinc/65/39/14/964653914.db2.gz QDWHXGQYLJNOBM-SNVBAGLBSA-N 1 0 240.322 2.064 20 30 BEEDRO C[NH+](C)CCCCNc1cc(C#N)cc(C#N)c1 ZINC001161730812 964720747 /nfs/dbraw/zinc/72/07/47/964720747.db2.gz QXMOKSKZOCCBOL-UHFFFAOYSA-N 1 0 242.326 2.184 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1CC=CC1 ZINC001038131341 964739792 /nfs/dbraw/zinc/73/97/92/964739792.db2.gz ABKFPCPREWXDQJ-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO Cc1ccc(CNc2cc[nH+]c(CC#N)c2)o1 ZINC001161768070 964743316 /nfs/dbraw/zinc/74/33/16/964743316.db2.gz DSTVUFKNOAIOKJ-UHFFFAOYSA-N 1 0 227.267 2.083 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2CSC2)c1 ZINC000697967299 964805153 /nfs/dbraw/zinc/80/51/53/964805153.db2.gz DOXQTMGJYSGDTL-UHFFFAOYSA-N 1 0 224.354 2.072 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC001256959548 1169850066 /nfs/dbraw/zinc/85/00/66/1169850066.db2.gz JWARIEHVPNOIHQ-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)C ZINC001483208412 964826021 /nfs/dbraw/zinc/82/60/21/964826021.db2.gz BEJGVEMSKZFJAO-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C[NH+](C)C(C)(C)CNc1cc(F)ccc1C#N ZINC001161948039 964833166 /nfs/dbraw/zinc/83/31/66/964833166.db2.gz YNCNRCCEMQJKCH-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO CC[N@@H+]1CC[C@@H](OCCc2ccc(C#N)cc2)C1 ZINC001224654391 964844518 /nfs/dbraw/zinc/84/45/18/964844518.db2.gz RSWYEENLZHHDEY-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO C[N@@H+]1CCC[C@H](OCCc2ccc(C#N)cc2)C1 ZINC001224654388 964844671 /nfs/dbraw/zinc/84/46/71/964844671.db2.gz RSFNPZZYTJHQLL-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO CC[C@@H](C)CO[C@H](CC#N)C[N+](C)(C)C ZINC001224664758 964855286 /nfs/dbraw/zinc/85/52/86/964855286.db2.gz ROPPERLBJMXSOF-VXGBXAGGSA-N 1 0 213.345 2.038 20 30 BEEDRO CC(C)(C)[NH+]1CC(Nc2cc(CC#N)ccn2)C1 ZINC001162225374 964881154 /nfs/dbraw/zinc/88/11/54/964881154.db2.gz GVVOIWMQNCZIQF-UHFFFAOYSA-N 1 0 244.342 2.042 20 30 BEEDRO Cc1nc(NC2C[NH+](C(C)(C)C)C2)ccc1C#N ZINC001162226455 964884500 /nfs/dbraw/zinc/88/45/00/964884500.db2.gz SPVUBPMJRXPSPR-UHFFFAOYSA-N 1 0 244.342 2.156 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]CCCC ZINC001483232039 964907535 /nfs/dbraw/zinc/90/75/35/964907535.db2.gz MHPYYPUXLGKCJF-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@@H](CC)OCC[N+](C)(C)C ZINC001224773510 964936979 /nfs/dbraw/zinc/93/69/79/964936979.db2.gz JDCPOIOYMRSZRK-GFCCVEGCSA-N 1 0 200.346 2.454 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162339783 964938355 /nfs/dbraw/zinc/93/83/55/964938355.db2.gz MPVLOYNRLJUNSV-AWEZNQCLSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1ccc(C#N)c(N[C@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162341558 964940394 /nfs/dbraw/zinc/94/03/94/964940394.db2.gz NHGQSYISIYNIQI-CQSZACIVSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCC(C)C ZINC001483306943 964967392 /nfs/dbraw/zinc/96/73/92/964967392.db2.gz BWXQWISJOWZZDL-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)/C(C)=C/C ZINC001483327553 964975662 /nfs/dbraw/zinc/97/56/62/964975662.db2.gz KZJCKNACBVURKP-BWODNOAJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C=C1CCC1 ZINC001483327559 964975679 /nfs/dbraw/zinc/97/56/79/964975679.db2.gz LAAYSBWPKMZZSZ-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CCCCNc1cccc2c1C[NH2+]CC2 ZINC001162448460 964982053 /nfs/dbraw/zinc/98/20/53/964982053.db2.gz BATFXSBGFIMWFL-UHFFFAOYSA-N 1 0 214.312 2.158 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)C1CCCC1 ZINC001483448323 965014257 /nfs/dbraw/zinc/01/42/57/965014257.db2.gz HBFIVORJMAECNS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(C)(Nc1cc[nH+]c(CC#N)c1)C1CC1 ZINC001162522519 965018967 /nfs/dbraw/zinc/01/89/67/965018967.db2.gz XLNXTYFWRYADNL-UHFFFAOYSA-N 1 0 215.300 2.170 20 30 BEEDRO N#Cc1ccc(Nc2ccc(C[NH3+])c(F)c2)nc1 ZINC001162522704 965022382 /nfs/dbraw/zinc/02/23/82/965022382.db2.gz LXSBLZBFVDNMQV-UHFFFAOYSA-N 1 0 242.257 2.295 20 30 BEEDRO C=C1CN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000912447956 965038022 /nfs/dbraw/zinc/03/80/22/965038022.db2.gz MBXXXAGUQBWLMB-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C[C@@H]1C[C@@H](CNc2cccc(F)c2CC#N)C[NH2+]1 ZINC001162558926 965046782 /nfs/dbraw/zinc/04/67/82/965046782.db2.gz GXAVZZBJWHLZMU-GHMZBOCLSA-N 1 0 247.317 2.302 20 30 BEEDRO C=CC(NC[C@@H]1CCC(F)(F)C1)=[NH+]COC ZINC001162647340 965089100 /nfs/dbraw/zinc/08/91/00/965089100.db2.gz PFWRXXGSECCCQI-SECBINFHSA-N 1 0 232.274 2.200 20 30 BEEDRO CCC[N@H+](CC)CCNc1cc(C)c(C#N)cn1 ZINC001162670063 965106340 /nfs/dbraw/zinc/10/63/40/965106340.db2.gz UADBUCBSTJPFGK-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1nnc(C)s1 ZINC000698298775 965184519 /nfs/dbraw/zinc/18/45/19/965184519.db2.gz NNQPAEZIFXDXRF-SECBINFHSA-N 1 0 211.334 2.291 20 30 BEEDRO C#C[C@H]1CCC[C@@H]1OCCCC[NH+](C)C ZINC001224991387 965201959 /nfs/dbraw/zinc/20/19/59/965201959.db2.gz RKXQJAYTFLCFNI-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000168224270 965244374 /nfs/dbraw/zinc/24/43/74/965244374.db2.gz ZWHZUBLCHXXQQV-NXEZZACHSA-N 1 0 248.164 2.442 20 30 BEEDRO COC[C@@H](C[N@H+](C)[C@H](C)CC#N)C(C)C ZINC000721734810 965247860 /nfs/dbraw/zinc/24/78/60/965247860.db2.gz SDMRRRLAIBQKIQ-VXGBXAGGSA-N 1 0 212.337 2.139 20 30 BEEDRO C#C[C@H](C)Nc1ccc(C[N@H+](C)C2CC2)cn1 ZINC001163161565 965278397 /nfs/dbraw/zinc/27/83/97/965278397.db2.gz OITYHEBALPGQQC-NSHDSACASA-N 1 0 229.327 2.109 20 30 BEEDRO N#CCNc1cc(C[NH+]2CCCCC2)ccn1 ZINC001163182409 965285018 /nfs/dbraw/zinc/28/50/18/965285018.db2.gz WEHIJWSEEKIBJD-UHFFFAOYSA-N 1 0 230.315 2.003 20 30 BEEDRO C#CCCC1(CCNc2cc(N)c(C)c[nH+]2)N=N1 ZINC001163380924 965382742 /nfs/dbraw/zinc/38/27/42/965382742.db2.gz LWXTXWZSKUVELM-UHFFFAOYSA-N 1 0 243.314 2.350 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+]C#C[Si](C)(C)C ZINC001163409990 965399451 /nfs/dbraw/zinc/39/94/51/965399451.db2.gz ATVSPQUKJNQHDG-UHFFFAOYSA-N 1 0 241.407 2.146 20 30 BEEDRO [NH3+]Cc1cccc(NC2=CC(=O)CCC2)c1 ZINC001163454023 965407948 /nfs/dbraw/zinc/40/79/48/965407948.db2.gz GLILHCYWBJGPDO-UHFFFAOYSA-N 1 0 216.284 2.194 20 30 BEEDRO COC(C)(C)[C@@H]1CCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233046524 965458797 /nfs/dbraw/zinc/45/87/97/965458797.db2.gz BWWNUEDIEDZEDW-ZDUSSCGKSA-N 1 0 247.342 2.276 20 30 BEEDRO N#CCCCCNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001168430376 965480438 /nfs/dbraw/zinc/48/04/38/965480438.db2.gz BWOSOIOLNNLIFE-UHFFFAOYSA-N 1 0 229.287 2.251 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1cc(C#N)ccc1F ZINC001163777998 965582488 /nfs/dbraw/zinc/58/24/88/965582488.db2.gz CABBFTHJYKJIMV-VIFPVBQESA-N 1 0 221.279 2.059 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]C[C@@H](C)CC ZINC001163953647 965659139 /nfs/dbraw/zinc/65/91/39/965659139.db2.gz YZTCNNUAHGYUOD-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CCCC ZINC001163958761 965662529 /nfs/dbraw/zinc/66/25/29/965662529.db2.gz XJIOMNJYTJJLSE-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO Cc1cc(C[NH3+])nn1-c1ccc(CC#N)cc1C ZINC001163986024 965678120 /nfs/dbraw/zinc/67/81/20/965678120.db2.gz ORCXDYDUSJVHNX-UHFFFAOYSA-N 1 0 240.310 2.014 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@H](F)CC ZINC001164020217 965695759 /nfs/dbraw/zinc/69/57/59/965695759.db2.gz GQAPUDVCNFGUNU-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO CC(C)N(CCC[NH3+])c1cc(C#N)ccc1F ZINC001164123027 965745049 /nfs/dbraw/zinc/74/50/49/965745049.db2.gz WNVQCDLPSMKAKR-UHFFFAOYSA-N 1 0 235.306 2.261 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)NCCC[NH2+]CC(=C)C ZINC001164223595 965802888 /nfs/dbraw/zinc/80/28/88/965802888.db2.gz URTUEWQNRRCSSH-STQMWFEESA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)[C@H](C)C=C ZINC001164234210 965808330 /nfs/dbraw/zinc/80/83/30/965808330.db2.gz SVKWBISULDPXTO-OLZOCXBDSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CC[NH2+][C@H]1CC ZINC001122404062 965841987 /nfs/dbraw/zinc/84/19/87/965841987.db2.gz OKCXJZNNYSJACP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cncn2C(C)C)C1 ZINC001261441652 1169877996 /nfs/dbraw/zinc/87/79/96/1169877996.db2.gz SCWQMOSPPRUYLL-CQSZACIVSA-N 1 0 249.358 2.241 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH2+]CCC ZINC001164366262 965861847 /nfs/dbraw/zinc/86/18/47/965861847.db2.gz LDMBGWZVBBEYHJ-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCCCO1 ZINC000699635608 966013643 /nfs/dbraw/zinc/01/36/43/966013643.db2.gz GEUVHHJOWRZOHD-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO CC1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235511028 966078480 /nfs/dbraw/zinc/07/84/80/966078480.db2.gz FHLVQDLRRVOSFJ-UHFFFAOYSA-N 1 0 200.285 2.204 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000699787705 966087010 /nfs/dbraw/zinc/08/70/10/966087010.db2.gz MSSIIGAMMOKENT-RISCZKNCSA-N 1 0 248.301 2.212 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000699787707 966090980 /nfs/dbraw/zinc/09/09/80/966090980.db2.gz MSSIIGAMMOKENT-SMDDNHRTSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C(C[NH2+][C@@H]1COC[C@H]1C)c1ccccc1 ZINC000699839978 966128192 /nfs/dbraw/zinc/12/81/92/966128192.db2.gz UDCAOVYKDVMHSX-TZMCWYRMSA-N 1 0 217.312 2.324 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(CC)c1O ZINC000691468277 966158436 /nfs/dbraw/zinc/15/84/36/966158436.db2.gz TXEJYLBPUATLFX-CYBMUJFWSA-N 1 0 217.312 2.456 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]C(C)C ZINC001165934332 966202682 /nfs/dbraw/zinc/20/26/82/966202682.db2.gz KLYSCODXCBYNJH-ZDUSSCGKSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@](C)(C=C)CC ZINC001165930496 966202881 /nfs/dbraw/zinc/20/28/81/966202881.db2.gz YQWMTCJKCOLFSS-CQSZACIVSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C1(CC)CC1 ZINC001165967090 966214636 /nfs/dbraw/zinc/21/46/36/966214636.db2.gz QYPMZOPPAMBIHZ-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CC(C)(F)F ZINC001166046630 966239286 /nfs/dbraw/zinc/23/92/86/966239286.db2.gz RGODENAZAPEYKF-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C1(CCC)CC1 ZINC001166098015 966242881 /nfs/dbraw/zinc/24/28/81/966242881.db2.gz QVMOONDDVWTEDM-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C1(CCC)CC1 ZINC001166077745 966245280 /nfs/dbraw/zinc/24/52/80/966245280.db2.gz OIPQYEAFTZPKRM-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO Cc1ccc(CN(C)C[C@@H]2CCC[NH2+]2)c(C#N)c1 ZINC001236122404 966272001 /nfs/dbraw/zinc/27/20/01/966272001.db2.gz SLSPLJXKLLKIHE-HNNXBMFYSA-N 1 0 243.354 2.051 20 30 BEEDRO N#Cc1cccc(Cl)c1CN1CCC[C@@H]1C[NH3+] ZINC001236247208 966315724 /nfs/dbraw/zinc/31/57/24/966315724.db2.gz PUJJVQDIMBTYAQ-LLVKDONJSA-N 1 0 249.745 2.135 20 30 BEEDRO Cc1[nH+]cn(-c2ccc(C3(C#N)CC3)cc2)c1N ZINC001212251801 966350631 /nfs/dbraw/zinc/35/06/31/966350631.db2.gz VXHNNOMKBKTEBW-UHFFFAOYSA-N 1 0 238.294 2.318 20 30 BEEDRO C=CCCCCC[NH2+]C1(CNC(C)=O)CCC1 ZINC001484620447 966495821 /nfs/dbraw/zinc/49/58/21/966495821.db2.gz BMNCIGIGCSHNGI-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CC[NH2+]C(C)C ZINC001493565781 966499129 /nfs/dbraw/zinc/49/91/29/966499129.db2.gz OUOSANBPNYNPEC-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)CCC ZINC001272688568 966505853 /nfs/dbraw/zinc/50/58/53/966505853.db2.gz NJEZLLBBDBVCLP-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)CC1 ZINC001484706942 966506924 /nfs/dbraw/zinc/50/69/24/966506924.db2.gz PYELVZRPCHHOHT-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C)CC ZINC001485034926 966534646 /nfs/dbraw/zinc/53/46/46/966534646.db2.gz AOCWCFPBHRONSK-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C/C=C(/C)C=C)C1 ZINC001485100254 966541289 /nfs/dbraw/zinc/54/12/89/966541289.db2.gz XXHHHYVXAXJJBG-SDQBBNPISA-N 1 0 248.370 2.179 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC2(CCC2)CC1 ZINC001203207198 966552288 /nfs/dbraw/zinc/55/22/88/966552288.db2.gz JFZRMMCIBBRASD-LLVKDONJSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](F)CC ZINC001485338495 966590233 /nfs/dbraw/zinc/59/02/33/966590233.db2.gz LTQITFGONYMKFH-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C(C)C ZINC001485357832 966593711 /nfs/dbraw/zinc/59/37/11/966593711.db2.gz UVUZNDORVJZWNH-STQMWFEESA-N 1 0 240.391 2.291 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)[C@@H](C)CC)C(C)(C)C1 ZINC001485558034 966613766 /nfs/dbraw/zinc/61/37/66/966613766.db2.gz ASUVJJQOIDABQH-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)CCC[NH2+]CC ZINC001485723926 966628992 /nfs/dbraw/zinc/62/89/92/966628992.db2.gz DMEWPCYOUNRIHS-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cncnc1C ZINC001238176525 966731163 /nfs/dbraw/zinc/73/11/63/966731163.db2.gz YPKYJFNHKNCLKS-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000162538921 966783557 /nfs/dbraw/zinc/78/35/57/966783557.db2.gz FAMGTVNDQKRVFJ-NSHDSACASA-N 1 0 205.276 2.370 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(O)c(O)c1 ZINC001203882766 966810522 /nfs/dbraw/zinc/81/05/22/966810522.db2.gz UVRDFDPGKGIACZ-UHFFFAOYSA-N 1 0 219.284 2.272 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@]1(C)O ZINC001203899942 966817507 /nfs/dbraw/zinc/81/75/07/966817507.db2.gz IRHYFOWICIGXRJ-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1O ZINC001203900071 966818169 /nfs/dbraw/zinc/81/81/69/966818169.db2.gz PTIQUIHPWNWTHB-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204010849 966851385 /nfs/dbraw/zinc/85/13/85/966851385.db2.gz WRLLVXKTOCSBLG-UHFFFAOYSA-N 1 0 203.289 2.140 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)c1cc[nH]c1 ZINC001127908094 966855136 /nfs/dbraw/zinc/85/51/36/966855136.db2.gz LPDFELYAUKOQQY-UHFFFAOYSA-N 1 0 249.358 2.081 20 30 BEEDRO Cn1cc[nH+]c1Nc1ccc(C#N)c(F)c1 ZINC001204028986 966858840 /nfs/dbraw/zinc/85/88/40/966858840.db2.gz SJRLOJVDQPHUSU-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H]1CCC[C@H]1C ZINC001127929122 966866361 /nfs/dbraw/zinc/86/63/61/966866361.db2.gz MGNHNMDFYBBFSM-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1 ZINC001204080409 966886823 /nfs/dbraw/zinc/88/68/23/966886823.db2.gz MAWOLNIJEWZMDC-ZSOGYDGISA-N 1 0 227.311 2.348 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2)C1 ZINC001204097930 966890373 /nfs/dbraw/zinc/89/03/73/966890373.db2.gz OPTMTDRAGBRLFJ-GFCCVEGCSA-N 1 0 215.296 2.237 20 30 BEEDRO CCC1(Nc2cc(C#N)cc3[nH]ccc32)C[NH2+]C1 ZINC001168582257 966918767 /nfs/dbraw/zinc/91/87/67/966918767.db2.gz LAECVEYPDSSGTF-UHFFFAOYSA-N 1 0 240.310 2.203 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(N2CCCC2)cc1 ZINC001204322058 966970486 /nfs/dbraw/zinc/97/04/86/966970486.db2.gz NDYNLHOHQFRSCJ-UHFFFAOYSA-N 1 0 228.339 2.352 20 30 BEEDRO C=C1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3CC)CC1 ZINC001032607605 967008850 /nfs/dbraw/zinc/00/88/50/967008850.db2.gz YWAQGWUJFQILRZ-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000715561486 967184469 /nfs/dbraw/zinc/18/44/69/967184469.db2.gz LFNOFHPRGWRZIJ-JHJVBQTASA-N 1 0 223.364 2.141 20 30 BEEDRO C=CCC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001249956496 967197405 /nfs/dbraw/zinc/19/74/05/967197405.db2.gz GQDOMPJJOIDTOI-CYBMUJFWSA-N 1 0 207.317 2.374 20 30 BEEDRO COc1cccc(-c2cncc(C[NH3+])c2)c1C#N ZINC001239799145 967197928 /nfs/dbraw/zinc/19/79/28/967197928.db2.gz ZTPRWEMRTQSBLS-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#CCC[NH2+]Cc1c(C)cccc1OC ZINC000921742463 967241194 /nfs/dbraw/zinc/24/11/94/967241194.db2.gz MGKBHHYZCJFOMV-UHFFFAOYSA-N 1 0 203.285 2.117 20 30 BEEDRO C#CCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921742889 967241786 /nfs/dbraw/zinc/24/17/86/967241786.db2.gz OLSSMQXBVMOHDQ-UHFFFAOYSA-N 1 0 223.707 2.053 20 30 BEEDRO CCN1C[C@@H](C)[C@@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921832943 967278886 /nfs/dbraw/zinc/27/88/86/967278886.db2.gz QMLSIMVQOARVPV-MFKMUULPSA-N 1 0 249.383 2.050 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC1CCC1 ZINC001485862500 967296409 /nfs/dbraw/zinc/29/64/09/967296409.db2.gz UBBIEKKNBLGTNW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC1(C)C ZINC001485914307 967311937 /nfs/dbraw/zinc/31/19/37/967311937.db2.gz VHNNIMHICXLIBB-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CCCC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001250058120 967321594 /nfs/dbraw/zinc/32/15/94/967321594.db2.gz LPTBJPTUOMCVTG-CYBMUJFWSA-N 1 0 220.316 2.101 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc(C#N)c1F ZINC001205087712 967331061 /nfs/dbraw/zinc/33/10/61/967331061.db2.gz IBWRNZVVZKCSPL-GWCFXTLKSA-N 1 0 247.317 2.009 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCCC[C@H](C)CC ZINC001128158842 967341597 /nfs/dbraw/zinc/34/15/97/967341597.db2.gz WZPVUXYLNFWLNG-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCCC)[C@H]1C ZINC001486073046 967347186 /nfs/dbraw/zinc/34/71/86/967347186.db2.gz UNGJRKFECCKUNU-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccco2)C1 ZINC001486102805 967349657 /nfs/dbraw/zinc/34/96/57/967349657.db2.gz WZICSRAERXLEIQ-VXGBXAGGSA-N 1 0 248.326 2.048 20 30 BEEDRO N#Cc1ccc(F)cc1CN1CCC[C@H]([NH3+])CC1 ZINC001205116567 967367991 /nfs/dbraw/zinc/36/79/91/967367991.db2.gz CUUPGJSDHCTINM-AWEZNQCLSA-N 1 0 247.317 2.011 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)cc(C#N)c1 ZINC001205201318 967424969 /nfs/dbraw/zinc/42/49/69/967424969.db2.gz AHOPIVIEBPTFOI-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001278553425 967431717 /nfs/dbraw/zinc/43/17/17/967431717.db2.gz XBJOZHBGURRQFH-GXTWGEPZSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CC=C(C)C ZINC001128246444 967438506 /nfs/dbraw/zinc/43/85/06/967438506.db2.gz ZHGGVHCGRRHDOZ-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO Cc1c(C#N)cccc1CCC[NH+](C)C ZINC001250164976 967460017 /nfs/dbraw/zinc/46/00/17/967460017.db2.gz XQOINDWMRBJIMX-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO COc1cc(C#N)ccc1CC[NH+]1CCCC1 ZINC001250167065 967465813 /nfs/dbraw/zinc/46/58/13/967465813.db2.gz YYLNASCPMULDHL-UHFFFAOYSA-N 1 0 230.311 2.205 20 30 BEEDRO CCCCCCCCCCN1C[C@@H]([NH3+])[C@H](O)C1 ZINC001205339090 967548949 /nfs/dbraw/zinc/54/89/49/967548949.db2.gz DVHHLNGWSIJHKX-ZIAGYGMSSA-N 1 0 242.407 2.131 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CC1CC(C)C1 ZINC001128414342 967550066 /nfs/dbraw/zinc/55/00/66/967550066.db2.gz YOMRYKJXUVUXSJ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)C1=CCCC1 ZINC001280803144 967589832 /nfs/dbraw/zinc/58/98/32/967589832.db2.gz SZRFOGWCSDYJOH-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@](C)(C=C)CC ZINC001273002758 967609401 /nfs/dbraw/zinc/60/94/01/967609401.db2.gz XZZGUHGNVUWMSL-TZMCWYRMSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@](C)(C=C)CC ZINC001273002755 967610884 /nfs/dbraw/zinc/61/08/84/967610884.db2.gz XZZGUHGNVUWMSL-OCCSQVGLSA-N 1 0 238.375 2.259 20 30 BEEDRO COc1cc(C)c(C[NH2+]CCCC#N)c(O)c1 ZINC001205396753 967620521 /nfs/dbraw/zinc/62/05/21/967620521.db2.gz DCZAPNPZIWPTFB-UHFFFAOYSA-N 1 0 234.299 2.103 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)CC1CCCC1 ZINC001205526915 967664744 /nfs/dbraw/zinc/66/47/44/967664744.db2.gz MHWYXUZCSRNZSE-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](OCCCCC#N)C1 ZINC001205665371 967740947 /nfs/dbraw/zinc/74/09/47/967740947.db2.gz YETMXPQVSVMBIK-LBPRGKRZSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(Cl)nc(OC)n1C ZINC001117748268 967749734 /nfs/dbraw/zinc/74/97/34/967749734.db2.gz UJCNHMFHKJDYAD-UHFFFAOYSA-N 1 0 243.738 2.138 20 30 BEEDRO CC(C)(C)[NH+]1CC(OCCCCC#N)C1 ZINC001205664655 967757827 /nfs/dbraw/zinc/75/78/27/967757827.db2.gz RMCPJDNYCZRQHX-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CC(C)(C)[NH2+]C1CCC(C)(C(=O)OC)CC1 ZINC001168750731 967771609 /nfs/dbraw/zinc/77/16/09/967771609.db2.gz MAQWIEKGWOHOIO-UHFFFAOYSA-N 1 0 237.343 2.110 20 30 BEEDRO C[NH+](C)Cc1cccc(NC2(C#N)CCC2)n1 ZINC001162309395 967801137 /nfs/dbraw/zinc/80/11/37/967801137.db2.gz JHUVAFBGKRZZST-UHFFFAOYSA-N 1 0 230.315 2.001 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001205744349 967809092 /nfs/dbraw/zinc/80/90/92/967809092.db2.gz IDQQFMXBXVHWHN-SNVBAGLBSA-N 1 0 228.270 2.485 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC001205744108 967809151 /nfs/dbraw/zinc/80/91/51/967809151.db2.gz GEFXTISOZQLNSI-QJPTWQEYSA-N 1 0 209.333 2.191 20 30 BEEDRO [NH3+][C@H]1CCC[C@@H](Nc2cccc(/C=N/O)c2)C1 ZINC001162401730 967829056 /nfs/dbraw/zinc/82/90/56/967829056.db2.gz MLIMKEZTIQAFJP-VBTYFWCOSA-N 1 0 233.315 2.177 20 30 BEEDRO Cc1cnccc1C[NH+]1CCC(S)CC1 ZINC001205862536 967858930 /nfs/dbraw/zinc/85/89/30/967858930.db2.gz GPRDEESGERGWPC-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO CC[N+](C)(C)Cc1ccccc1NCC#N ZINC001163183120 968000017 /nfs/dbraw/zinc/00/00/17/968000017.db2.gz AXEXKXZFQYDYBH-UHFFFAOYSA-N 1 0 218.324 2.218 20 30 BEEDRO C=CCCCCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206052994 968016650 /nfs/dbraw/zinc/01/66/50/968016650.db2.gz CIXSKOPOLOONFA-CHWSQXEVSA-N 1 0 210.365 2.402 20 30 BEEDRO C[NH+](C)CC(C)(C)CNc1ccc(CC#N)cn1 ZINC001168762432 968022361 /nfs/dbraw/zinc/02/23/61/968022361.db2.gz JMLVDACEQPEYML-UHFFFAOYSA-N 1 0 246.358 2.147 20 30 BEEDRO C=C(C)CNc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001163378947 968029305 /nfs/dbraw/zinc/02/93/05/968029305.db2.gz ZFGNGHLMMGXJEH-UHFFFAOYSA-N 1 0 245.370 2.080 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC)C1 ZINC001206066563 968033558 /nfs/dbraw/zinc/03/35/58/968033558.db2.gz WYLULEWKBYAARG-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)N(CCC[NH3+])c1cc(F)cc(CC#N)c1 ZINC001164128640 968176120 /nfs/dbraw/zinc/17/61/20/968176120.db2.gz AEMNIJLNNIFTBC-UHFFFAOYSA-N 1 0 249.333 2.455 20 30 BEEDRO C#C[C@@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC001206302990 968211455 /nfs/dbraw/zinc/21/14/55/968211455.db2.gz WDFIDISWMUKJFL-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@](F)(CN)C1 ZINC001206337748 968232495 /nfs/dbraw/zinc/23/24/95/968232495.db2.gz WIDGYPCCNDIQKL-GFCCVEGCSA-N 1 0 214.328 2.106 20 30 BEEDRO CCCCCCCN1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001206403793 968281698 /nfs/dbraw/zinc/28/16/98/968281698.db2.gz JKDPLISBAJRZJZ-RYUDHWBXSA-N 1 0 216.344 2.328 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH2+]CCCF ZINC001165928913 968300674 /nfs/dbraw/zinc/30/06/74/968300674.db2.gz GSVDYCOOHPNUNG-CYBMUJFWSA-N 1 0 244.354 2.044 20 30 BEEDRO C#CCOc1ccc(Nc2cc[nH+]c(N)c2)cc1 ZINC001206569192 968389873 /nfs/dbraw/zinc/38/98/73/968389873.db2.gz YGVOZJBOEZRLTQ-UHFFFAOYSA-N 1 0 239.278 2.419 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCCN(CC)C1 ZINC001206590108 968406292 /nfs/dbraw/zinc/40/62/92/968406292.db2.gz ITPRYQAQCJRIGK-CYBMUJFWSA-N 1 0 242.432 2.370 20 30 BEEDRO C#C[C@H]1CCCN(c2cc3[nH]ccc3c[nH+]2)C1 ZINC001167007537 968417115 /nfs/dbraw/zinc/41/71/15/968417115.db2.gz YUVIGQUECPGAKV-NSHDSACASA-N 1 0 225.295 2.413 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC001119699621 968457182 /nfs/dbraw/zinc/45/71/82/968457182.db2.gz VJBRVEXSRIIHBA-KBPBESRZSA-N 1 0 241.375 2.230 20 30 BEEDRO CCCC[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001252087303 968507815 /nfs/dbraw/zinc/50/78/15/968507815.db2.gz AKDARCFKILYLRD-FQUUOJAGSA-N 1 0 236.359 2.304 20 30 BEEDRO CCCC[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001252089560 968514126 /nfs/dbraw/zinc/51/41/26/968514126.db2.gz RMCBWMFFDSRZQI-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC ZINC001085109207 968537011 /nfs/dbraw/zinc/53/70/11/968537011.db2.gz PQXLNEAEVCAPON-GHMZBOCLSA-N 1 0 244.766 2.166 20 30 BEEDRO CCCC[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC001252093263 968571273 /nfs/dbraw/zinc/57/12/73/968571273.db2.gz HCZZWTVNKWGWMR-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCN(C(=O)CCC)C1 ZINC001207062617 968590587 /nfs/dbraw/zinc/59/05/87/968590587.db2.gz DIJGPWFYFROZQG-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCC[C@H](O)C[NH2+]Cc1ccccc1C#N ZINC001252108771 968592967 /nfs/dbraw/zinc/59/29/67/968592967.db2.gz RXNONMQKUFKMLV-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(=O)[nH]1 ZINC001207073941 968604503 /nfs/dbraw/zinc/60/45/03/968604503.db2.gz OVAZNVMPEIUDLA-UOJUARBOSA-N 1 0 243.310 2.054 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](C)CO ZINC001252120533 968605478 /nfs/dbraw/zinc/60/54/78/968605478.db2.gz YDGSOYRSKDBXSH-STQMWFEESA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CC1COC1 ZINC001252120593 968607038 /nfs/dbraw/zinc/60/70/38/968607038.db2.gz YYPKHQZVHNODJV-CQSZACIVSA-N 1 0 243.391 2.334 20 30 BEEDRO CCCCCCCC[C@@H](O)CNC=[NH2+] ZINC001252132716 968610223 /nfs/dbraw/zinc/61/02/23/968610223.db2.gz CAXSQTGWYLTEBU-LLVKDONJSA-N 1 0 200.326 2.295 20 30 BEEDRO Cn1cc(C[N@@H+]2CCCC23CC3)cc1C#N ZINC001207101560 968631651 /nfs/dbraw/zinc/63/16/51/968631651.db2.gz MDZXTCKTGPEMGE-UHFFFAOYSA-N 1 0 215.300 2.025 20 30 BEEDRO N#CCCOc1ccc(C2=CCC[NH2+]C2)cc1 ZINC001240668818 968632977 /nfs/dbraw/zinc/63/29/77/968632977.db2.gz DEKSLYVWLKLNMY-UHFFFAOYSA-N 1 0 228.295 2.356 20 30 BEEDRO CCn1ccnc1CN1CCC[C@@H](C#N)CC1 ZINC001207146426 968657727 /nfs/dbraw/zinc/65/77/27/968657727.db2.gz QRKBXLFVXRKAGK-GFCCVEGCSA-N 1 0 232.331 2.029 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(F)F ZINC001168770061 968674607 /nfs/dbraw/zinc/67/46/07/968674607.db2.gz VWZWIANNZABHJV-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001207200705 968684285 /nfs/dbraw/zinc/68/42/85/968684285.db2.gz OSSYGHZLQBKORG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001207294739 968719189 /nfs/dbraw/zinc/71/91/89/968719189.db2.gz UOJMSAFJRUHPIB-RFQIPJPRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)c1cc([C@@H]2CCC[NH2+]C2)nc(C)n1 ZINC001240833294 968733116 /nfs/dbraw/zinc/73/31/16/968733116.db2.gz MWUAHSZGFBFMMJ-LLVKDONJSA-N 1 0 217.316 2.285 20 30 BEEDRO C=C(C)c1ccc2nc(C3CC[NH2+]CC3)nn2c1 ZINC001240835069 968742017 /nfs/dbraw/zinc/74/20/17/968742017.db2.gz OGUXLQCCEBQDCP-UHFFFAOYSA-N 1 0 242.326 2.229 20 30 BEEDRO C=C(C)c1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001240834954 968743652 /nfs/dbraw/zinc/74/36/52/968743652.db2.gz LEWZLPWBJXEGHL-UHFFFAOYSA-N 1 0 213.284 2.054 20 30 BEEDRO C=C(C)c1cccc2c1NC(=O)C21CC[NH2+]CC1 ZINC001240837206 968757868 /nfs/dbraw/zinc/75/78/68/968757868.db2.gz SPZIUYJAISMIPU-UHFFFAOYSA-N 1 0 242.322 2.293 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc(C)c1 ZINC001252538496 968769144 /nfs/dbraw/zinc/76/91/44/968769144.db2.gz HWMTXBRKZNBCMK-ZDUSSCGKSA-N 1 0 205.301 2.022 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc(C)c1 ZINC001252538495 968769859 /nfs/dbraw/zinc/76/98/59/968769859.db2.gz HWMTXBRKZNBCMK-CYBMUJFWSA-N 1 0 205.301 2.022 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001252541406 968774604 /nfs/dbraw/zinc/77/46/04/968774604.db2.gz KQMCLTDFLFSGNI-CQSZACIVSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccccc1C ZINC001252541545 968775877 /nfs/dbraw/zinc/77/58/77/968775877.db2.gz OIUPMVFUWWCLOW-AWEZNQCLSA-N 1 0 219.328 2.064 20 30 BEEDRO C=C[C@@](C)(O)CNc1cc[nH+]c(N2CCCC2)c1 ZINC001252546090 968780850 /nfs/dbraw/zinc/78/08/50/968780850.db2.gz VDCAJDGABBAYOV-CQSZACIVSA-N 1 0 247.342 2.031 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC001252554214 968790202 /nfs/dbraw/zinc/79/02/02/968790202.db2.gz DDGJKVROMRDVFZ-KGLIPLIRSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC001252550629 968791068 /nfs/dbraw/zinc/79/10/68/968791068.db2.gz OYXSJBLPGDTXKZ-CQSZACIVSA-N 1 0 235.327 2.064 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+](C)CCc1cccc(OC)c1 ZINC001252554447 968794848 /nfs/dbraw/zinc/79/48/48/968794848.db2.gz GYSRUYWMDHDTHM-OAHLLOKOSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCc2ccccc2CC1 ZINC001252554442 968797722 /nfs/dbraw/zinc/79/77/22/968797722.db2.gz GWDQACKHICHULW-HNNXBMFYSA-N 1 0 231.339 2.024 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001252556836 968800071 /nfs/dbraw/zinc/80/00/71/968800071.db2.gz FJYREZINKLMUBK-RDBSUJKOSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CC/C=C/c1cccnc1 ZINC001252556359 968801749 /nfs/dbraw/zinc/80/17/49/968801749.db2.gz CQMNLNIVGZOQMA-PXTSUWAFSA-N 1 0 246.354 2.354 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccc(F)cc1F ZINC001252558030 968803545 /nfs/dbraw/zinc/80/35/45/968803545.db2.gz LOCUUUZCDKGTMG-ZDUSSCGKSA-N 1 0 241.281 2.334 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001252562341 968812028 /nfs/dbraw/zinc/81/20/28/968812028.db2.gz QCWKVZLJSLLNLT-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@](C)(O)CNc1ccccc1C[NH+](C)C ZINC001252565300 968813139 /nfs/dbraw/zinc/81/31/39/968813139.db2.gz QRHXRXMTZAQEJR-AWEZNQCLSA-N 1 0 234.343 2.097 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@H]1CCCC[C@H]1C ZINC001252569275 968817463 /nfs/dbraw/zinc/81/74/63/968817463.db2.gz RAZMOGZHLARPBU-UPJWGTAASA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC001252568499 968818034 /nfs/dbraw/zinc/81/80/34/968818034.db2.gz LBPDEOKKQZDDDB-TZMCWYRMSA-N 1 0 233.311 2.037 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(CC)cc1 ZINC001252570677 968819918 /nfs/dbraw/zinc/81/99/18/968819918.db2.gz ALHQUTKVBHDAOM-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cnc2ccccc2c1 ZINC001252571109 968821033 /nfs/dbraw/zinc/82/10/33/968821033.db2.gz DOGYNDWQVLDNMG-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO Cc1nocc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829180594 968822720 /nfs/dbraw/zinc/82/27/20/968822720.db2.gz VSZRKOVHMCCOIP-SECBINFHSA-N 1 0 221.304 2.401 20 30 BEEDRO CC[C@H](CCO)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829178842 968822743 /nfs/dbraw/zinc/82/27/43/968822743.db2.gz ILWCCGMRTRYWMA-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2ccccc2n1 ZINC001252574983 968825231 /nfs/dbraw/zinc/82/52/31/968825231.db2.gz TVJGIGSTZVPHJC-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccccc2F)CC1 ZINC001252574411 968825357 /nfs/dbraw/zinc/82/53/57/968825357.db2.gz AGRSZFVEHYRLGJ-ZDUSSCGKSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC001252574034 968826196 /nfs/dbraw/zinc/82/61/96/968826196.db2.gz KXUIHEJUBSJIEF-MELADBBJSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2c1cccc2OC ZINC001252576783 968828112 /nfs/dbraw/zinc/82/81/12/968828112.db2.gz OCEDHGROQKQKOZ-ZFWWWQNUSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](CC)c1ccncc1 ZINC001252575552 968828699 /nfs/dbraw/zinc/82/86/99/968828699.db2.gz DCBDIGFMJGITQG-CHWSQXEVSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001252579032 968829965 /nfs/dbraw/zinc/82/99/65/968829965.db2.gz SRXPWJYGIYHHFP-FZMZJTMJSA-N 1 0 235.327 2.022 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC001252577574 968830153 /nfs/dbraw/zinc/83/01/53/968830153.db2.gz KOYKXNLJJDNWHU-ZIAGYGMSSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC001252577828 968831100 /nfs/dbraw/zinc/83/11/00/968831100.db2.gz MSZKQDMNFKVQMT-UONOGXRCSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC001252580453 968831992 /nfs/dbraw/zinc/83/19/92/968831992.db2.gz RCHOKCNDLVMTCS-QMTHXVAHSA-N 1 0 249.310 2.003 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCOc2ccc(C)cc21 ZINC001252582861 968834868 /nfs/dbraw/zinc/83/48/68/968834868.db2.gz XWFRFOCWKCIPIS-UKRRQHHQSA-N 1 0 247.338 2.345 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2onc(C)c2c1 ZINC001252582422 968834975 /nfs/dbraw/zinc/83/49/75/968834975.db2.gz RQVMNFYLPSCLEQ-CQSZACIVSA-N 1 0 246.310 2.163 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](CCC)c1ccncc1 ZINC001252581963 968835543 /nfs/dbraw/zinc/83/55/43/968835543.db2.gz LOQALRKUNLZGSY-ZIAGYGMSSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)c1ncccc1C ZINC001252583620 968836751 /nfs/dbraw/zinc/83/67/51/968836751.db2.gz OSACFDGZHAVZOA-HNNXBMFYSA-N 1 0 248.370 2.194 20 30 BEEDRO C=CCC[C@@H](O)CNc1cc(C)cc(C)[nH+]1 ZINC001252585856 968839884 /nfs/dbraw/zinc/83/98/84/968839884.db2.gz AGDRKQDFPNHIIB-GFCCVEGCSA-N 1 0 220.316 2.437 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc2cccc(F)c2[nH]1 ZINC001252586332 968840066 /nfs/dbraw/zinc/84/00/66/968840066.db2.gz ZBWJAFQWEJBJFB-AWEZNQCLSA-N 1 0 248.301 2.334 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(C)cc1 ZINC001252586378 968840646 /nfs/dbraw/zinc/84/06/46/968840646.db2.gz FWUDZHSZEZFIHY-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC001252589916 968845866 /nfs/dbraw/zinc/84/58/66/968845866.db2.gz UEASSIBSZJRQNW-ZJUUUORDSA-N 1 0 219.275 2.091 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H]2CC(F)(F)C[C@@H]2C1 ZINC001252597357 968856864 /nfs/dbraw/zinc/85/68/64/968856864.db2.gz ZLSXPMJKERMCQH-GRYCIOLGSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001252599835 968857032 /nfs/dbraw/zinc/85/70/32/968857032.db2.gz LJCPOVAPTXBUCV-QWRGUYRKSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252602585 968860921 /nfs/dbraw/zinc/86/09/21/968860921.db2.gz VBBVGSBJNASUMN-CYBMUJFWSA-N 1 0 247.338 2.077 20 30 BEEDRO CN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001207730170 968866958 /nfs/dbraw/zinc/86/69/58/968866958.db2.gz UFNGMXFWKVCRJU-MELADBBJSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001252612865 968869656 /nfs/dbraw/zinc/86/96/56/968869656.db2.gz SNRLMAXVDUCDCJ-IJLUTSLNSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCN(C(C)C)C(C)C ZINC001252612447 968870845 /nfs/dbraw/zinc/87/08/45/968870845.db2.gz MVFUOWUONSEXNS-CQSZACIVSA-N 1 0 242.407 2.022 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC001207740761 968871778 /nfs/dbraw/zinc/87/17/78/968871778.db2.gz FLLSDPRGHWECNI-MYSGNRETSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001252615594 968872303 /nfs/dbraw/zinc/87/23/03/968872303.db2.gz AOBGOHZJGPMWJR-QNWHQSFQSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccc(OC)cc1 ZINC001252616952 968874342 /nfs/dbraw/zinc/87/43/42/968874342.db2.gz WQBFWQPRBNLUCC-AWEZNQCLSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(F)c1F ZINC001252615882 968875155 /nfs/dbraw/zinc/87/51/55/968875155.db2.gz HXBFJEOSYBETEV-NSHDSACASA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCc2cccnc21 ZINC001252616564 968876086 /nfs/dbraw/zinc/87/60/86/968876086.db2.gz QXHURNRITKNZKV-KBPBESRZSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC001252618060 968877436 /nfs/dbraw/zinc/87/74/36/968877436.db2.gz OORYMCRHZDVTAM-QLFBSQMISA-N 1 0 231.339 2.459 20 30 BEEDRO C=CCCC[NH2+]C[C@H](NC(=O)C(C)C)C1CC1 ZINC001276544015 968879128 /nfs/dbraw/zinc/87/91/28/968879128.db2.gz KWEXCBOPJKNARX-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC001252620204 968881221 /nfs/dbraw/zinc/88/12/21/968881221.db2.gz RWIPLQMIOSRJSY-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cncc(Cl)c1 ZINC001252619202 968880190 /nfs/dbraw/zinc/88/01/90/968880190.db2.gz BYZYHCBESWPVKU-LBPRGKRZSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)Cc1cccc(O)c1 ZINC001252620027 968880265 /nfs/dbraw/zinc/88/02/65/968880265.db2.gz QDDNOQQSNUKQOS-DOMZBBRYSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001252618864 968880625 /nfs/dbraw/zinc/88/06/25/968880625.db2.gz HJZPDEZHGIJHEZ-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CCOCC1 ZINC001207773662 968881540 /nfs/dbraw/zinc/88/15/40/968881540.db2.gz FWQNPUYBIVVBFH-FRRDWIJNSA-N 1 0 234.343 2.085 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(Cc2cccnc2)CC1 ZINC001252623370 968882706 /nfs/dbraw/zinc/88/27/06/968882706.db2.gz JQAOTFTWXMXYJN-CQSZACIVSA-N 1 0 246.354 2.073 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cn(C2CCC2)cn1 ZINC001252622570 968883572 /nfs/dbraw/zinc/88/35/72/968883572.db2.gz WVAJMOJXMBCUBI-AWEZNQCLSA-N 1 0 249.358 2.025 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)Cc1ccncc1 ZINC001252622211 968883932 /nfs/dbraw/zinc/88/39/32/968883932.db2.gz QDSIINSOKGTMIH-CQSZACIVSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H](O)COC(C)C ZINC001252679859 968893006 /nfs/dbraw/zinc/89/30/06/968893006.db2.gz GFQRHZVXDOQYHE-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCO1)C2 ZINC001207847486 968902355 /nfs/dbraw/zinc/90/23/55/968902355.db2.gz UGHKFQFLXYWXRZ-OAHLLOKOSA-N 1 0 242.322 2.095 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCCO1 ZINC001207956792 968952322 /nfs/dbraw/zinc/95/23/22/968952322.db2.gz ONNJCVPBTOXONA-FQUUOJAGSA-N 1 0 234.343 2.322 20 30 BEEDRO CC1(C[N@@H+]2CCC[C@H](CC#N)C2)CCOCC1 ZINC001207969655 968969490 /nfs/dbraw/zinc/96/94/90/968969490.db2.gz QXTJHTMLUICTCA-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO C[N@H+]1CC=C(c2ccc(CC#N)c(C#N)c2)CC1 ZINC001241322361 968974991 /nfs/dbraw/zinc/97/49/91/968974991.db2.gz MLGNZLNHEXPYCU-UHFFFAOYSA-N 1 0 237.306 2.343 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cccn1 ZINC001208077554 968982178 /nfs/dbraw/zinc/98/21/78/968982178.db2.gz IFXGWSVXSHJKBT-ZSOGYDGISA-N 1 0 244.342 2.040 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2CC=CC2)C1 ZINC001086330008 969030465 /nfs/dbraw/zinc/03/04/65/969030465.db2.gz JGISOJGKSLUJLZ-MQMHXKEQSA-N 1 0 248.370 2.013 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccnc3[nH]cc(C#N)c32)C1 ZINC001241570641 969064172 /nfs/dbraw/zinc/06/41/72/969064172.db2.gz MXSNEWSASLQTEF-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCCO ZINC001253228185 969116627 /nfs/dbraw/zinc/11/66/27/969116627.db2.gz QJWVQHLSCOOCPE-CQSZACIVSA-N 1 0 243.391 2.236 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000166352782 969147393 /nfs/dbraw/zinc/14/73/93/969147393.db2.gz KOHAWNPAUKJRTA-NOZJJQNGSA-N 1 0 219.715 2.419 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)CCCCC)CC1 ZINC001253535896 969206136 /nfs/dbraw/zinc/20/61/36/969206136.db2.gz BQNCTUQVLBETMT-AWEZNQCLSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCC[NH2+]CCCC[C@H](C)NC(=O)CCC ZINC001168806010 969223274 /nfs/dbraw/zinc/22/32/74/969223274.db2.gz NMSYEZXMDNJCPC-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CCCCC ZINC001253553840 969227423 /nfs/dbraw/zinc/22/74/23/969227423.db2.gz IZOYADHYLVSGSG-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CC[N@H+](C)CCOCCOCc1ccccc1 ZINC001208752093 969230810 /nfs/dbraw/zinc/23/08/10/969230810.db2.gz MSIMXUSCBASMFU-UHFFFAOYSA-N 1 0 249.354 2.338 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CC(C)C ZINC001168855689 969235776 /nfs/dbraw/zinc/23/57/76/969235776.db2.gz OJKAALNPYABIMG-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)CC(C)C ZINC001168855690 969235871 /nfs/dbraw/zinc/23/58/71/969235871.db2.gz OJKAALNPYABIMG-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)c1ccc(C)cc1)CC1CC1 ZINC001253563890 969238500 /nfs/dbraw/zinc/23/85/00/969238500.db2.gz ZCRYRHJKSYJRCG-INIZCTEOSA-N 1 0 243.350 2.374 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](CC)CCC(=O)OC ZINC001208795707 969243708 /nfs/dbraw/zinc/24/37/08/969243708.db2.gz FVLHOTQRLKPXIU-LLVKDONJSA-N 1 0 213.321 2.084 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC001253578509 969251650 /nfs/dbraw/zinc/25/16/50/969251650.db2.gz CQDVLGNUKBGGSS-RYUDHWBXSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1ccc(OC)cc1 ZINC001253581989 969257081 /nfs/dbraw/zinc/25/70/81/969257081.db2.gz LOJLNCXBVXKXTA-DZGCQCFKSA-N 1 0 247.338 2.379 20 30 BEEDRO N#Cc1cccc(CCC[NH+]2CCC2)c1 ZINC001208847888 969257872 /nfs/dbraw/zinc/25/78/72/969257872.db2.gz GJIGYTRLLBBILV-UHFFFAOYSA-N 1 0 200.285 2.197 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccccc1 ZINC001253580838 969258932 /nfs/dbraw/zinc/25/89/32/969258932.db2.gz FLKCXNUMVZTQKX-UONOGXRCSA-N 1 0 217.312 2.370 20 30 BEEDRO C=C[C@@H](O)CN(CC(=O)c1ccccc1)C(C)C ZINC001253583583 969262257 /nfs/dbraw/zinc/26/22/57/969262257.db2.gz HJQAJYSXNQEQLK-CQSZACIVSA-N 1 0 247.338 2.127 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1ccccc1F ZINC001253584604 969262800 /nfs/dbraw/zinc/26/28/00/969262800.db2.gz OEDXRVSSSBMLDC-GFCCVEGCSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC001253597152 969289261 /nfs/dbraw/zinc/28/92/61/969289261.db2.gz BIJKAUXTGCLMHR-LBPRGKRZSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1F ZINC001253599992 969293557 /nfs/dbraw/zinc/29/35/57/969293557.db2.gz BMZGHZIPLGBXRY-WPRPVWTQSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2ccc(C)cc21 ZINC001253602120 969297207 /nfs/dbraw/zinc/29/72/07/969297207.db2.gz CLIHSNOWJNUERH-GXTWGEPZSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC001253603135 969298081 /nfs/dbraw/zinc/29/80/81/969298081.db2.gz QZCDHNDHYDZXEY-AAEUAGOBSA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC001253605839 969301664 /nfs/dbraw/zinc/30/16/64/969301664.db2.gz XONJVVGKFKQQQR-PSASIEDQSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCCc2c(F)cccc21 ZINC001253606269 969302632 /nfs/dbraw/zinc/30/26/32/969302632.db2.gz DTMAKTIQXPBFDE-HZMBPMFUSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001253603826 969303285 /nfs/dbraw/zinc/30/32/85/969303285.db2.gz CZFBMTQGGNCGGD-QLFBSQMISA-N 1 0 247.338 2.043 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(Cc2cccc(F)c2)CCC1 ZINC001253606299 969304678 /nfs/dbraw/zinc/30/46/78/969304678.db2.gz FJRSERFPLPAVIB-AWEZNQCLSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1F ZINC001253607006 969305855 /nfs/dbraw/zinc/30/58/55/969305855.db2.gz QEZAKTRIYKUGOE-UWVGGRQHSA-N 1 0 241.281 2.471 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC(C)(C)CC1CCC1 ZINC001253606709 969306083 /nfs/dbraw/zinc/30/60/83/969306083.db2.gz NGLQZRLWENWKRB-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C(C)=O)cc1 ZINC001253608220 969308392 /nfs/dbraw/zinc/30/83/92/969308392.db2.gz JZRDATXXLQEBJF-IINYFYTJSA-N 1 0 233.311 2.087 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C=C)c1ccccc1 ZINC001253610142 969310440 /nfs/dbraw/zinc/31/04/40/969310440.db2.gz BAFATUUBNCCDRT-CHWSQXEVSA-N 1 0 203.285 2.050 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1CCC(CCC)CC1 ZINC001253609649 969311294 /nfs/dbraw/zinc/31/12/94/969311294.db2.gz WVRCOFAHTKQEBO-WXRRBKDZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC001253609615 969311180 /nfs/dbraw/zinc/31/11/80/969311180.db2.gz WNCZMXJDSDRBSQ-TZMCWYRMSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1cc(Cl)ccn1 ZINC001253611000 969312317 /nfs/dbraw/zinc/31/23/17/969312317.db2.gz KMKAWJNEOGWRES-SNVBAGLBSA-N 1 0 240.734 2.107 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1c[nH]c2ccccc21 ZINC001253611865 969313931 /nfs/dbraw/zinc/31/39/31/969313931.db2.gz UTSZROJRHTYGMT-MNOVXSKESA-N 1 0 230.311 2.365 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1CCCN(C(C)=O)C1 ZINC001208981258 969316014 /nfs/dbraw/zinc/31/60/14/969316014.db2.gz IKAOCDBBFMFNHD-AWEZNQCLSA-N 1 0 238.375 2.143 20 30 BEEDRO C[NH+]1CCC(=Nc2c(C#N)ccc(F)c2F)CC1 ZINC001208978438 969317036 /nfs/dbraw/zinc/31/70/36/969317036.db2.gz CGMJTQSDDXQWLW-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=CCCC[NH+]1CCC(F)(C(=O)OCC)CC1 ZINC001209161042 969362999 /nfs/dbraw/zinc/36/29/99/969362999.db2.gz FPKNIYWFQSYGBE-UHFFFAOYSA-N 1 0 243.322 2.320 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@]2(CCC(=O)O2)C1 ZINC001209163754 969364356 /nfs/dbraw/zinc/36/43/56/969364356.db2.gz KHVPVSSWUGNUSO-CYBMUJFWSA-N 1 0 223.316 2.124 20 30 BEEDRO CCn1cncc1C[NH2+]Cc1cccc(C#N)c1 ZINC000090172200 969369176 /nfs/dbraw/zinc/36/91/76/969369176.db2.gz XHVAXTYUYCHLBT-UHFFFAOYSA-N 1 0 240.310 2.064 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H]2C[C@@]21C(=O)OCC ZINC001209200941 969388990 /nfs/dbraw/zinc/38/89/90/969388990.db2.gz QNFGFBUWBQKDTP-OCCSQVGLSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001209201603 969390210 /nfs/dbraw/zinc/39/02/10/969390210.db2.gz OMGYEMIXCAARCF-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[NH+]1CC(N2CCC(F)CC2)C1 ZINC001209204947 969390354 /nfs/dbraw/zinc/39/03/54/969390354.db2.gz MRBXREDCVFYOCJ-UHFFFAOYSA-N 1 0 240.366 2.461 20 30 BEEDRO C=CCCCC[NH+]1CCC2(CCOC2=O)CC1 ZINC001209207363 969392187 /nfs/dbraw/zinc/39/21/87/969392187.db2.gz VTWDFQJTPPRARZ-UHFFFAOYSA-N 1 0 237.343 2.372 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001209205003 969392475 /nfs/dbraw/zinc/39/24/75/969392475.db2.gz ODSWCMPKBXHQRC-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCCC[N@H+]1CCc2nccn2CC1 ZINC001209207322 969393013 /nfs/dbraw/zinc/39/30/13/969393013.db2.gz SSUIWMJINKGGQO-UHFFFAOYSA-N 1 0 219.332 2.098 20 30 BEEDRO C=CCCCC[NH+]1CC(N2CC[C@H](F)C2)C1 ZINC001209204971 969394451 /nfs/dbraw/zinc/39/44/51/969394451.db2.gz NCBCGBQEDOTGPA-LBPRGKRZSA-N 1 0 226.339 2.071 20 30 BEEDRO C=CCCCC[N@@H+](CC)[C@@H](C)C(=O)OC ZINC001209208705 969397581 /nfs/dbraw/zinc/39/75/81/969397581.db2.gz YKCVWOVHWNTFPR-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO CC(C)[C@H](O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001253778637 969398912 /nfs/dbraw/zinc/39/89/12/969398912.db2.gz YOJGZRQXAQEQID-CQSZACIVSA-N 1 0 246.354 2.400 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001253781610 969401752 /nfs/dbraw/zinc/40/17/52/969401752.db2.gz BFRXNEJVUMDXLD-HUUCEWRRSA-N 1 0 244.338 2.152 20 30 BEEDRO COCCCC[N@@H+]1CCc2ccc(C#N)cc2C1 ZINC001209217744 969404517 /nfs/dbraw/zinc/40/45/17/969404517.db2.gz MOECSSMXDPNZLL-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO C#CCCC[N@@H+](C)CCN(C)Cc1ccccc1 ZINC001209268263 969418017 /nfs/dbraw/zinc/41/80/17/969418017.db2.gz XFOVPOICXQBMHN-UHFFFAOYSA-N 1 0 244.382 2.464 20 30 BEEDRO C#CCCC[N@@H+](CC(=O)OCC)C1CCCC1 ZINC001209267317 969420229 /nfs/dbraw/zinc/42/02/29/969420229.db2.gz FXDWIBUKYQKBDR-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO C#CCCC[NH+]1CCC(n2nccc2C)CC1 ZINC001209267941 969420309 /nfs/dbraw/zinc/42/03/09/969420309.db2.gz OKATUIFVBNALLW-UHFFFAOYSA-N 1 0 231.343 2.242 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH+]2CC(CC#N)C2)C[C@H](C)O1 ZINC001209377691 969448007 /nfs/dbraw/zinc/44/80/07/969448007.db2.gz HPOUIWPMMWBFPP-PTEHBNRSSA-N 1 0 222.332 2.035 20 30 BEEDRO CC(C)C[C@@H](C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108550 969449215 /nfs/dbraw/zinc/44/92/15/969449215.db2.gz BCVQVJILXBUJIB-FQUUOJAGSA-N 1 0 235.375 2.139 20 30 BEEDRO CCCCN(CC#N)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169146100 969461160 /nfs/dbraw/zinc/46/11/60/969461160.db2.gz OMNJZVSZJGFGMK-WDNDVIMCSA-N 1 0 235.375 2.237 20 30 BEEDRO C=C(C[NH+]1CCCCC1)c1nnc(C2CC2)o1 ZINC001254092377 969489141 /nfs/dbraw/zinc/48/91/41/969489141.db2.gz VXODUZOADNUBEE-UHFFFAOYSA-N 1 0 233.315 2.446 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001209423586 969492592 /nfs/dbraw/zinc/49/25/92/969492592.db2.gz SWLBMDFHEXOPAD-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C[C@@H]([NH3+])c1ccn(-c2ccc(CCC#N)cc2)n1 ZINC001169231055 969504175 /nfs/dbraw/zinc/50/41/75/969504175.db2.gz DSTNKKWUOQAJFJ-LLVKDONJSA-N 1 0 240.310 2.348 20 30 BEEDRO CC[NH+]1CCC(N2CCC(C)(C#N)CC2)CC1 ZINC001169264578 969520663 /nfs/dbraw/zinc/52/06/63/969520663.db2.gz IURYGVXPTUYHAY-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C#CC1([NH2+]C2CCN(CC)CC2)CCCCC1 ZINC001169241217 969527331 /nfs/dbraw/zinc/52/73/31/969527331.db2.gz KGGOKENSPOJSJP-UHFFFAOYSA-N 1 0 234.387 2.396 20 30 BEEDRO CCCCCCCc1cn(C[C@@H](C)[NH3+])nn1 ZINC001254162156 969530828 /nfs/dbraw/zinc/53/08/28/969530828.db2.gz BMDKVXHKTVDCQX-LLVKDONJSA-N 1 0 224.352 2.138 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC001209573311 969555323 /nfs/dbraw/zinc/55/53/23/969555323.db2.gz PZKYDQITECLZTL-UHFFFAOYSA-N 1 0 217.316 2.449 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C1(C)CC(=C)C1)C1CC1 ZINC001276655374 969566204 /nfs/dbraw/zinc/56/62/04/969566204.db2.gz BJSFMYLKSPTGBB-CYBMUJFWSA-N 1 0 248.370 2.013 20 30 BEEDRO COc1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)ccn1 ZINC001209640441 969570123 /nfs/dbraw/zinc/57/01/23/969570123.db2.gz ALSFCUKYYGANJR-GFCCVEGCSA-N 1 0 245.326 2.216 20 30 BEEDRO N#Cc1ccc(C2([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC001254365700 969578588 /nfs/dbraw/zinc/57/85/88/969578588.db2.gz JTHZMIVSNIPURQ-CQSZACIVSA-N 1 0 242.322 2.316 20 30 BEEDRO C=C(C)CCc1ccccc1-n1nncc1C[NH3+] ZINC001169310498 969584096 /nfs/dbraw/zinc/58/40/96/969584096.db2.gz YSZBXENSORDHJK-UHFFFAOYSA-N 1 0 242.326 2.235 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC001169443497 969631726 /nfs/dbraw/zinc/63/17/26/969631726.db2.gz HMRNIVPBDRXSKR-JSGCOSHPSA-N 1 0 238.375 2.025 20 30 BEEDRO C[N@@H+]1CCC[C@H](NCc2ccccc2C#N)CC1 ZINC001254500993 969660924 /nfs/dbraw/zinc/66/09/24/969660924.db2.gz NTHGSLFMKITCCT-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254542449 969736298 /nfs/dbraw/zinc/73/62/98/969736298.db2.gz NHRHDAICKHYEET-WDEREUQCSA-N 1 0 232.283 2.137 20 30 BEEDRO Cc1nc(CN[C@@H]2CC[C@H](C#N)C2)c(C)o1 ZINC001254634811 969749147 /nfs/dbraw/zinc/74/91/47/969749147.db2.gz MCILORSUMRHXBU-WDEREUQCSA-N 1 0 219.288 2.073 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254643834 969751031 /nfs/dbraw/zinc/75/10/31/969751031.db2.gz RODHFUKAWPTKEB-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254634270 969751652 /nfs/dbraw/zinc/75/16/52/969751652.db2.gz ARIBWZFQISAUBA-MNOVXSKESA-N 1 0 238.331 2.000 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001254635315 969753085 /nfs/dbraw/zinc/75/30/85/969753085.db2.gz DCNILPJEYBUKNF-STQMWFEESA-N 1 0 236.359 2.354 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1C ZINC001254636161 969753483 /nfs/dbraw/zinc/75/34/83/969753483.db2.gz JHZCEWNLRUZVIE-NWDGAFQWSA-N 1 0 217.316 2.115 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1C ZINC001254636163 969754424 /nfs/dbraw/zinc/75/44/24/969754424.db2.gz JHZCEWNLRUZVIE-VXGBXAGGSA-N 1 0 217.316 2.115 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cccnc32)C1 ZINC001254643265 969757177 /nfs/dbraw/zinc/75/71/77/969757177.db2.gz NQFYAJGRIMKNTK-RTXFEEFZSA-N 1 0 227.311 2.351 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001254643201 969757469 /nfs/dbraw/zinc/75/74/69/969757469.db2.gz NFCCUMMLOXTPCW-VXGBXAGGSA-N 1 0 227.311 2.353 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2cccnc2)C1 ZINC001254644168 969757659 /nfs/dbraw/zinc/75/76/59/969757659.db2.gz VHIVIUPWGDYAMT-KBPBESRZSA-N 1 0 229.327 2.296 20 30 BEEDRO CC(C)Cn1cnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254646962 969760235 /nfs/dbraw/zinc/76/02/35/969760235.db2.gz DMKZNWHWGSDWFB-CHWSQXEVSA-N 1 0 246.358 2.321 20 30 BEEDRO N#CCc1cccc(NCC[C@H]2CCC[NH2+]2)c1F ZINC001169563895 969760311 /nfs/dbraw/zinc/76/03/11/969760311.db2.gz FUHCGMDWIFWGNP-GFCCVEGCSA-N 1 0 247.317 2.446 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001254647514 969760294 /nfs/dbraw/zinc/76/02/94/969760294.db2.gz GZSKIJVPKDKRDD-NEPJUHHUSA-N 1 0 244.342 2.390 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001254646457 969761173 /nfs/dbraw/zinc/76/11/73/969761173.db2.gz ATQJPBUGFCQPRT-VXGBXAGGSA-N 1 0 244.342 2.390 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)/C(C)=C\C ZINC001156342321 969761228 /nfs/dbraw/zinc/76/12/28/969761228.db2.gz ABCNWGOMJYVNEK-MVXISAMASA-N 1 0 238.375 2.403 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254646907 969761476 /nfs/dbraw/zinc/76/14/76/969761476.db2.gz QDFIKDPSVMUDOT-MNOVXSKESA-N 1 0 208.305 2.026 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC001254652472 969763307 /nfs/dbraw/zinc/76/33/07/969763307.db2.gz FDASKFCASZGJMU-RNJOBUHISA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001254657873 969767701 /nfs/dbraw/zinc/76/77/01/969767701.db2.gz SFYUAGZWVQRJHY-GXTWGEPZSA-N 1 0 241.338 2.439 20 30 BEEDRO C[C@H]1C[C@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)CC[C@H]2O1 ZINC001254657302 969769347 /nfs/dbraw/zinc/76/93/47/969769347.db2.gz CNWLHRZWFWLNKA-HTVCTNPSSA-N 1 0 234.343 2.178 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254661012 969771715 /nfs/dbraw/zinc/77/17/15/969771715.db2.gz OKZIMFNKRXNQGF-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C[NH2+]Cc1c(C)nn([C@H]2CC[C@H](C#N)C2)c1C ZINC001254667626 969773670 /nfs/dbraw/zinc/77/36/70/969773670.db2.gz BRHGLISIKAVFAT-RYUDHWBXSA-N 1 0 232.331 2.084 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(S)CC2)C1 ZINC001254671220 969776958 /nfs/dbraw/zinc/77/69/58/969776958.db2.gz PYGVXNWCZNTKOW-NXEZZACHSA-N 1 0 210.346 2.073 20 30 BEEDRO CC(C)[N@H+](C)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC001254673983 969779205 /nfs/dbraw/zinc/77/92/05/969779205.db2.gz RYYQLNPBGPEJMT-MELADBBJSA-N 1 0 235.375 2.093 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001254674149 969782249 /nfs/dbraw/zinc/78/22/49/969782249.db2.gz UTKSADONFBJCRO-ILXRZTDVSA-N 1 0 248.370 2.427 20 30 BEEDRO CC1(C)CCCC[C@@H]1C[NH+]1CC(O)(CC#N)C1 ZINC001169631026 969793270 /nfs/dbraw/zinc/79/32/70/969793270.db2.gz XXSMTOYDVWDCFB-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254839592 969801015 /nfs/dbraw/zinc/80/10/15/969801015.db2.gz TYOKSXQUCUOGQN-QLFBSQMISA-N 1 0 247.386 2.143 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859577 969810753 /nfs/dbraw/zinc/81/07/53/969810753.db2.gz FPLFDSWZGGNQDK-HUUCEWRRSA-N 1 0 247.386 2.096 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)C1 ZINC001254859578 969811411 /nfs/dbraw/zinc/81/14/11/969811411.db2.gz FPLFDSWZGGNQDK-LSDHHAIUSA-N 1 0 247.386 2.096 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254860038 969811559 /nfs/dbraw/zinc/81/15/59/969811559.db2.gz IVQBHJCEBNIAQU-HUUCEWRRSA-N 1 0 247.386 2.096 20 30 BEEDRO N#Cc1cc2c(cccc2-n2ccc(C[NH3+])c2)[nH]1 ZINC001169726288 969820351 /nfs/dbraw/zinc/82/03/51/969820351.db2.gz QKFSQWQAKUPVQC-UHFFFAOYSA-N 1 0 236.278 2.289 20 30 BEEDRO Cc1c(C#N)ccnc1NC(C)(C)CC[NH+](C)C ZINC001169710988 969829087 /nfs/dbraw/zinc/82/90/87/969829087.db2.gz DPTWDVRALAVGHR-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C[NH+](C)CCC(C)(C)Nc1ccc(CC#N)cn1 ZINC001169711305 969829377 /nfs/dbraw/zinc/82/93/77/969829377.db2.gz IUHABAUTSIMADF-UHFFFAOYSA-N 1 0 246.358 2.290 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@@H]3CC(=O)C[C@H]3C2)C1 ZINC001254956263 969839654 /nfs/dbraw/zinc/83/96/54/969839654.db2.gz HQBYSZMBCLHJGZ-JHJVBQTASA-N 1 0 231.339 2.089 20 30 BEEDRO O=C1C[C@@H]2CC([NH+]3CCC(S)CC3)C[C@H]2C1 ZINC001254956254 969840090 /nfs/dbraw/zinc/84/00/90/969840090.db2.gz HNNQYBITIUFLRM-UWVGGRQHSA-N 1 0 239.384 2.138 20 30 BEEDRO C=CC[NH+](CC=C)C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254957484 969840316 /nfs/dbraw/zinc/84/03/16/969840316.db2.gz VFULRHINNVOLME-RYUDHWBXSA-N 1 0 219.328 2.418 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254956262 969841056 /nfs/dbraw/zinc/84/10/56/969841056.db2.gz HQBYSZMBCLHJGZ-IGQOVBAYSA-N 1 0 231.339 2.089 20 30 BEEDRO C#CC1CC[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254961893 969842114 /nfs/dbraw/zinc/84/21/14/969842114.db2.gz YVRGLXYBSXXQFY-WDNDVIMCSA-N 1 0 231.339 2.089 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001169764951 969844393 /nfs/dbraw/zinc/84/43/93/969844393.db2.gz ATCFFLNMXPLBDQ-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO N#Cc1cccc2c1CC[C@H]2[NH2+]C1CCOCC1 ZINC001255033845 969856898 /nfs/dbraw/zinc/85/68/98/969856898.db2.gz BRJKRADIEVLUOO-OAHLLOKOSA-N 1 0 242.322 2.314 20 30 BEEDRO C=C[C@@H](CO)Nc1ccccc1C[N+](C)(C)CC ZINC001169783844 969857089 /nfs/dbraw/zinc/85/70/89/969857089.db2.gz GRNCXBRRMQWBKD-AWEZNQCLSA-N 1 0 249.378 2.242 20 30 BEEDRO N#Cc1ccc(C2([NH2+]C3CCOCC3)CC2)cc1 ZINC001255033726 969858236 /nfs/dbraw/zinc/85/82/36/969858236.db2.gz WGKCHJOGDPVTFV-UHFFFAOYSA-N 1 0 242.322 2.316 20 30 BEEDRO C=CC(N[C@@H]1C[C@H]1c1ccccc1)=[NH+]COC ZINC001169811576 969863506 /nfs/dbraw/zinc/86/35/06/969863506.db2.gz FBSPFTXLWXEDMB-QWHCGFSZSA-N 1 0 230.311 2.321 20 30 BEEDRO Cc1cc(C#N)cc(Nc2cc[nH+]c(CO)c2)c1 ZINC001210388291 969881347 /nfs/dbraw/zinc/88/13/47/969881347.db2.gz IGIABYOEWBLTFC-UHFFFAOYSA-N 1 0 239.278 2.498 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001255156782 969945048 /nfs/dbraw/zinc/94/50/48/969945048.db2.gz RYJNTQOHAIQTOU-UTUOFQBUSA-N 1 0 205.305 2.351 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C=C(/C)CC)C2 ZINC001109237479 969950758 /nfs/dbraw/zinc/95/07/58/969950758.db2.gz FEFNCMBBJQLWJZ-ZDCYIQFNSA-N 1 0 248.370 2.250 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@](O)(C2)C3 ZINC001255148909 969954193 /nfs/dbraw/zinc/95/41/93/969954193.db2.gz CMNDINXKDSBHLP-JSLGZRHDSA-N 1 0 248.370 2.208 20 30 BEEDRO CCC[NH+](CCC)CCN[C@@H](CC)CC#N ZINC001255152384 969956711 /nfs/dbraw/zinc/95/67/11/969956711.db2.gz STAOOZHVNMLBMD-ZDUSSCGKSA-N 1 0 225.380 2.390 20 30 BEEDRO CCOC(CCC[NH2+][C@H](CC)CC#N)OCC ZINC001255151974 969956825 /nfs/dbraw/zinc/95/68/25/969956825.db2.gz KBZDKGOEYUBWSW-GFCCVEGCSA-N 1 0 242.363 2.448 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(OC)c(O)c1 ZINC001255151415 969956966 /nfs/dbraw/zinc/95/69/66/969956966.db2.gz ASAQFKBSBYHGOC-LBPRGKRZSA-N 1 0 248.326 2.225 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@@H]1[NH2+][C@@H](CC)CC#N ZINC001255157581 969967205 /nfs/dbraw/zinc/96/72/05/969967205.db2.gz SBXGSARFUFVLJG-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@@H](CC#N)N[C@H]1CC[N@H+](CC(C)(C)C)C1 ZINC001255160783 969968904 /nfs/dbraw/zinc/96/89/04/969968904.db2.gz PRHFBKOCFDLIRK-STQMWFEESA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC001255160955 969971339 /nfs/dbraw/zinc/97/13/39/969971339.db2.gz SEJAOFIGOIWIOM-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001255163260 969974732 /nfs/dbraw/zinc/97/47/32/969974732.db2.gz FCXJKJFVKXLITG-WOPDTQHZSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc2c1cnn2C ZINC001255164760 969977426 /nfs/dbraw/zinc/97/74/26/969977426.db2.gz QEQHXXPVPJSSBV-LBPRGKRZSA-N 1 0 242.326 2.355 20 30 BEEDRO CCCCC[NH+]1CCN([C@@H](CC)CC#N)CC1 ZINC001255171745 969983994 /nfs/dbraw/zinc/98/39/94/969983994.db2.gz AFEBILNPDJQPMW-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001255173338 969985059 /nfs/dbraw/zinc/98/50/59/969985059.db2.gz KSJVHHPYCIUGRQ-UWVGGRQHSA-N 1 0 214.259 2.410 20 30 BEEDRO CC[C@@H](CC#N)N(CC)CC[NH+]1CCCC1 ZINC001255173481 969988647 /nfs/dbraw/zinc/98/86/47/969988647.db2.gz MEBUVVPFLAIXMY-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO CC[C@H](CC#N)N(CC)CC[NH+]1CCCCC1 ZINC001255174998 969988900 /nfs/dbraw/zinc/98/89/00/969988900.db2.gz LHDFQVDVEVURFG-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccccc1OCC#N ZINC001212597398 969989474 /nfs/dbraw/zinc/98/94/74/969989474.db2.gz RYXAWJNVCRPEPZ-UHFFFAOYSA-N 1 0 228.255 2.066 20 30 BEEDRO CC[C@@H](CC#N)n1nc(C)c(C[NH2+]C)c1C ZINC001255175417 969993671 /nfs/dbraw/zinc/99/36/71/969993671.db2.gz OTYWKQWJKTVDDY-NSHDSACASA-N 1 0 220.320 2.084 20 30 BEEDRO CC[C@@H](CC#N)N1CC[C@@H]([N@H+](C)C(C)C)C1 ZINC001255178607 969998224 /nfs/dbraw/zinc/99/82/24/969998224.db2.gz HUEJSNCAUAYBSY-QWHCGFSZSA-N 1 0 223.364 2.093 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(CC)c1O ZINC000691479993 970007002 /nfs/dbraw/zinc/00/70/02/970007002.db2.gz AODWKTMMKDORDJ-UHFFFAOYSA-N 1 0 235.327 2.247 20 30 BEEDRO C=CC(NCCC(=O)c1ccccc1)=[NH+]COC ZINC001170015481 970007418 /nfs/dbraw/zinc/00/74/18/970007418.db2.gz PHCHIILSSDYZES-UHFFFAOYSA-N 1 0 246.310 2.037 20 30 BEEDRO COc1ccnc(NC2=CC(=O)C[C@H](C)C2)c1 ZINC001210767030 970014618 /nfs/dbraw/zinc/01/46/18/970014618.db2.gz SIAPBYBHBSJMLU-SECBINFHSA-N 1 0 232.283 2.385 20 30 BEEDRO N#CCC1([NH2+][C@H]2CCSC2)CCCC1 ZINC001255279634 970034038 /nfs/dbraw/zinc/03/40/38/970034038.db2.gz PEHYNYBASRCNAK-JTQLQIEISA-N 1 0 210.346 2.308 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@H+]([C@@H]1CCSC1)C2 ZINC001255281797 970036942 /nfs/dbraw/zinc/03/69/42/970036942.db2.gz DRNJTDHHZQRTLM-CQSZACIVSA-N 1 0 244.363 2.422 20 30 BEEDRO CN(c1ccc2c(C#N)c[nH]c2c1)C(C)(C)C[NH3+] ZINC001170058723 970107832 /nfs/dbraw/zinc/10/78/32/970107832.db2.gz BVVCTDRUWWOLLL-UHFFFAOYSA-N 1 0 242.326 2.213 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+][C@@H](C)CC#N)C1 ZINC001255354440 970124330 /nfs/dbraw/zinc/12/43/30/970124330.db2.gz SYMRDDXKFWNFQN-SDDRHHMPSA-N 1 0 238.331 2.000 20 30 BEEDRO CC(C)CCC[C@@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001170065225 970134146 /nfs/dbraw/zinc/13/41/46/970134146.db2.gz YNBKFQGXUQIUCT-TUAOUCFPSA-N 1 0 242.363 2.027 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)/C(C)=C/C ZINC001170066158 970137551 /nfs/dbraw/zinc/13/75/51/970137551.db2.gz FMWTWYFCMDBFBA-UWUHSAQLSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)/C(C)=C\C ZINC001170066156 970138450 /nfs/dbraw/zinc/13/84/50/970138450.db2.gz FMWTWYFCMDBFBA-MVXISAMASA-N 1 0 238.375 2.403 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2cnccc2C#N)cc1 ZINC001211129388 970155627 /nfs/dbraw/zinc/15/56/27/970155627.db2.gz QYPLRNOMGNDDJI-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO CC(C)(S)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255528166 970292862 /nfs/dbraw/zinc/29/28/62/970292862.db2.gz IHSIGNHICOBZLE-VIFPVBQESA-N 1 0 217.378 2.242 20 30 BEEDRO C[C@@H]1CC[C@H](NC(=[NH2+])c2ccc(F)cn2)C1 ZINC001170103278 970296783 /nfs/dbraw/zinc/29/67/83/970296783.db2.gz DYFHYGZPSYNTRZ-SCZZXKLOSA-N 1 0 221.279 2.115 20 30 BEEDRO CC1(C)C[C@H]([N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001255546778 970316167 /nfs/dbraw/zinc/31/61/67/970316167.db2.gz RDSNOWGRLHBODO-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C)C[C@@H]([N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC001255546776 970317990 /nfs/dbraw/zinc/31/79/90/970317990.db2.gz RDSNOWGRLHBODO-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ncc(C#N)s2)C1 ZINC001170112339 970325030 /nfs/dbraw/zinc/32/50/30/970325030.db2.gz JGQRTMQSUFXQOA-BDAKNGLRSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2ncc(C#N)s2)C1 ZINC001170112341 970326251 /nfs/dbraw/zinc/32/62/51/970326251.db2.gz JGQRTMQSUFXQOA-IUCAKERBSA-N 1 0 221.329 2.293 20 30 BEEDRO Cc1c(C#N)c(C2=CC[NH2+]C2)nc2ccccc12 ZINC001243108778 970335489 /nfs/dbraw/zinc/33/54/89/970335489.db2.gz GCJAJXVJPCNFOL-UHFFFAOYSA-N 1 0 235.290 2.402 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001255560799 970343416 /nfs/dbraw/zinc/34/34/16/970343416.db2.gz JJDNBFLYUKESQC-IINYFYTJSA-N 1 0 230.311 2.170 20 30 BEEDRO N#Cc1nccc2cc(C3=CC[NH2+]C3)ccc12 ZINC001243110704 970351553 /nfs/dbraw/zinc/35/15/53/970351553.db2.gz DIURZGHBRSPAAL-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO COC[C@@H](C)[NH2+]CCCCCCS ZINC001255564870 970353906 /nfs/dbraw/zinc/35/39/06/970353906.db2.gz GDGPUIUGWAHWAC-SNVBAGLBSA-N 1 0 205.367 2.101 20 30 BEEDRO C=CCCCC(=O)N1CC[NH+](CCCC)CC1 ZINC001113283414 970397965 /nfs/dbraw/zinc/39/79/65/970397965.db2.gz KCXCDVLOFGVAMQ-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001214014663 970418011 /nfs/dbraw/zinc/41/80/11/970418011.db2.gz YSYPSYWCUCUMJI-FRRDWIJNSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CCC(C)C)C[C@H]1C ZINC001214122293 970440516 /nfs/dbraw/zinc/44/05/16/970440516.db2.gz QQYSDLWAHBMEQT-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CCCCC)C[C@H]1C ZINC001214146825 970441874 /nfs/dbraw/zinc/44/18/74/970441874.db2.gz SJCGBQRHMZKSTP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC)C[C@H]1C ZINC001214158457 970444911 /nfs/dbraw/zinc/44/49/11/970444911.db2.gz KYQSDKOGPRJBMZ-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001255680658 970454864 /nfs/dbraw/zinc/45/48/64/970454864.db2.gz FDMCOZCIBBQOBH-JZWPEALZSA-N 1 0 246.398 2.347 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC001255691228 970457890 /nfs/dbraw/zinc/45/78/90/970457890.db2.gz FJSJQEDBGABDDM-KXUCPTDWSA-N 1 0 237.265 2.244 20 30 BEEDRO Cc1ccc(C[C@@H](C)[NH2+]CCS)cc1 ZINC001255771460 970476559 /nfs/dbraw/zinc/47/65/59/970476559.db2.gz AOMRCMBFIFSXMG-LLVKDONJSA-N 1 0 209.358 2.445 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1ccc(C)cc1 ZINC001255795453 970497220 /nfs/dbraw/zinc/49/72/20/970497220.db2.gz IGFUDCGCEJBPHX-OAHLLOKOSA-N 1 0 225.335 2.494 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1ccccc1F ZINC001255851637 970518074 /nfs/dbraw/zinc/51/80/74/970518074.db2.gz SMEYTMDNBZIJDL-NSHDSACASA-N 1 0 205.276 2.322 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1ccccc1F ZINC001255853215 970524120 /nfs/dbraw/zinc/52/41/20/970524120.db2.gz HQVMXLCQYYWDLD-CYBMUJFWSA-N 1 0 229.298 2.325 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1ccc(F)cc1 ZINC001255879840 970536448 /nfs/dbraw/zinc/53/64/48/970536448.db2.gz LYQZJJBOSYCIBD-ZDUSSCGKSA-N 1 0 229.298 2.325 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1ccc(F)cc1 ZINC001255879839 970538548 /nfs/dbraw/zinc/53/85/48/970538548.db2.gz LYQZJJBOSYCIBD-CYBMUJFWSA-N 1 0 229.298 2.325 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)CCO1 ZINC001170177111 970555561 /nfs/dbraw/zinc/55/55/61/970555561.db2.gz FGJGUYZYVLKDCZ-VHSXEESVSA-N 1 0 217.378 2.242 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2cncc(C#N)c2)CCO1 ZINC001170192731 970565634 /nfs/dbraw/zinc/56/56/34/970565634.db2.gz FDVVWESPKUMTIK-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@H](CC#N)N[C@H](C)CC[NH+](CC)CC ZINC001255946523 970580882 /nfs/dbraw/zinc/58/08/82/970580882.db2.gz AQLUZZFJYMRFNF-CHWSQXEVSA-N 1 0 225.380 2.389 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CCC(C#N)CC1 ZINC001255955482 970588617 /nfs/dbraw/zinc/58/86/17/970588617.db2.gz UTUROUVODJTQTP-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO N#Cc1ccc(CNc2cccc(C[NH3+])n2)s1 ZINC001170201775 970596568 /nfs/dbraw/zinc/59/65/68/970596568.db2.gz LIVUHKBWLVJPDO-UHFFFAOYSA-N 1 0 244.323 2.086 20 30 BEEDRO CC[C@@H]1C[C@H]([NH+]2CCC(C#N)CC2)CCO1 ZINC001170204008 970601560 /nfs/dbraw/zinc/60/15/60/970601560.db2.gz NWTUZCPTWXTPAM-CHWSQXEVSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1C[C@@H](F)C[C@H]1C#N ZINC001255972251 970607675 /nfs/dbraw/zinc/60/76/75/970607675.db2.gz OEFDTOYYXHRWDI-AGIUHOORSA-N 1 0 241.354 2.043 20 30 BEEDRO CC[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC001170225858 970626249 /nfs/dbraw/zinc/62/62/49/970626249.db2.gz CSBIOIDCUSAYSW-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H]1C[C@H]([N@H+](CC)CCC#N)CCO1 ZINC001170224731 970627229 /nfs/dbraw/zinc/62/72/29/970627229.db2.gz VLSQSWATIRIDDC-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC(C)[C@@](C)(C#N)NC1CC[NH+](C2CC2)CC1 ZINC001256067609 970631178 /nfs/dbraw/zinc/63/11/78/970631178.db2.gz UETBAKUWTASSNK-CQSZACIVSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1ccc(C#N)cc1 ZINC000401224226 970669275 /nfs/dbraw/zinc/66/92/75/970669275.db2.gz JONWGCVHLSNPMM-FRRDWIJNSA-N 1 0 243.354 2.129 20 30 BEEDRO COc1cccc(C[C@@H](C)[NH+]2CC(CC#N)C2)c1 ZINC001256156862 970677784 /nfs/dbraw/zinc/67/77/84/970677784.db2.gz QTYSSCBLLXOPGN-GFCCVEGCSA-N 1 0 244.338 2.472 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)C1(C)C ZINC000305097259 970685544 /nfs/dbraw/zinc/68/55/44/970685544.db2.gz VGGWKAFLHSXPRL-LLVKDONJSA-N 1 0 211.349 2.434 20 30 BEEDRO C[NH+]1CCC(NC2(C#N)CCCCCC2)CC1 ZINC001256195243 970689355 /nfs/dbraw/zinc/68/93/55/970689355.db2.gz GICSXAYTWAELGU-UHFFFAOYSA-N 1 0 235.375 2.287 20 30 BEEDRO CC(C)(S)CNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001170306166 970705204 /nfs/dbraw/zinc/70/52/04/970705204.db2.gz UECCOUICWSBXGJ-UHFFFAOYSA-N 1 0 236.344 2.265 20 30 BEEDRO C[C@]1(CF)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC001144074391 972550269 /nfs/dbraw/zinc/55/02/69/972550269.db2.gz LKBDWNGFPYIQIT-CYBMUJFWSA-N 1 0 233.290 2.135 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC001144077047 972551423 /nfs/dbraw/zinc/55/14/23/972551423.db2.gz XXBOILRYZQVKGL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CC[C@H](OC)C2)cc1 ZINC001327386142 972566217 /nfs/dbraw/zinc/56/62/17/972566217.db2.gz YICGWGDNHRJTOP-CABCVRRESA-N 1 0 229.323 2.325 20 30 BEEDRO C[C@@]1(CF)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144153643 972634271 /nfs/dbraw/zinc/63/42/71/972634271.db2.gz IUSUGXVJSOKGOO-ZDUSSCGKSA-N 1 0 233.290 2.135 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H]1CC(=O)OCC ZINC001327854002 972748359 /nfs/dbraw/zinc/74/83/59/972748359.db2.gz QNOOKPRVCJUNEB-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CCOCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171174829 972803047 /nfs/dbraw/zinc/80/30/47/972803047.db2.gz DHSHNSQJPNYXBC-GFCCVEGCSA-N 1 0 232.327 2.115 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCCO1 ZINC001171175102 972803790 /nfs/dbraw/zinc/80/37/90/972803790.db2.gz HKKIOEZNEHNZCS-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO CSCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171179015 972808496 /nfs/dbraw/zinc/80/84/96/972808496.db2.gz OFJAHULQBFFYIZ-LLVKDONJSA-N 1 0 234.368 2.442 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC1(C)COC1 ZINC001171178993 972810697 /nfs/dbraw/zinc/81/06/97/972810697.db2.gz NSJAKDDZXVPXEG-GFCCVEGCSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCC(C)(C)O ZINC001171181211 972819005 /nfs/dbraw/zinc/81/90/05/972819005.db2.gz HYFVQEIZGJZVIG-LBPRGKRZSA-N 1 0 246.354 2.240 20 30 BEEDRO C=CCc1c(Cl)ncnc1NCC(C)(C)[NH3+] ZINC001171188473 972833613 /nfs/dbraw/zinc/83/36/13/972833613.db2.gz JULIFEJIODCPAN-UHFFFAOYSA-N 1 0 240.738 2.008 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCC#N ZINC001171190584 972842148 /nfs/dbraw/zinc/84/21/48/972842148.db2.gz WEJVENPFTIGVKY-GFCCVEGCSA-N 1 0 227.311 2.383 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C(C)=O)C2)cc1 ZINC001144579075 972870076 /nfs/dbraw/zinc/87/00/76/972870076.db2.gz XLAQUDISDRRUNB-OAHLLOKOSA-N 1 0 227.307 2.079 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)cc1 ZINC001144579074 972871357 /nfs/dbraw/zinc/87/13/57/972871357.db2.gz XLAQUDISDRRUNB-HNNXBMFYSA-N 1 0 227.307 2.079 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@](N)(C(F)(F)F)C1 ZINC001246573662 972871633 /nfs/dbraw/zinc/87/16/33/972871633.db2.gz WUDPQBYVZDBMRT-VHSXEESVSA-N 1 0 236.281 2.307 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)cc1 ZINC001144567956 972874501 /nfs/dbraw/zinc/87/45/01/972874501.db2.gz FQGBJNNQIOSMMA-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)cc1 ZINC001144568258 972874820 /nfs/dbraw/zinc/87/48/20/972874820.db2.gz OUFGAUDONKDYLD-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)cc1 ZINC001144567957 972875519 /nfs/dbraw/zinc/87/55/19/972875519.db2.gz FQGBJNNQIOSMMA-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cc1 ZINC001144576452 972879820 /nfs/dbraw/zinc/87/98/20/972879820.db2.gz LAXZVLOGGMZFTG-HOTGVXAUSA-N 1 0 241.334 2.279 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@]1(C)CCOC1 ZINC001171202292 972899922 /nfs/dbraw/zinc/89/99/22/972899922.db2.gz YRNMLEDUMJCFPE-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@]1(C[NH3+])CCCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001246578846 972903473 /nfs/dbraw/zinc/90/34/73/972903473.db2.gz CXCZNVXHPPEERC-MGPQQGTHSA-N 1 0 235.375 2.130 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC=CC1 ZINC001171204083 972918986 /nfs/dbraw/zinc/91/89/86/972918986.db2.gz SKWZICXQUJXPFT-GFCCVEGCSA-N 1 0 212.296 2.361 20 30 BEEDRO N#Cc1ccc(CO[C@@H]2C[NH+]3CCC2CC3)s1 ZINC001223288551 972927287 /nfs/dbraw/zinc/92/72/87/972927287.db2.gz LQUMBWADFDBFET-CYBMUJFWSA-N 1 0 248.351 2.231 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001246584645 972963152 /nfs/dbraw/zinc/96/31/52/972963152.db2.gz XWIWJDYDCJAWKK-STQMWFEESA-N 1 0 241.354 2.222 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)/C=C(/C)CC ZINC001328332154 972972177 /nfs/dbraw/zinc/97/21/77/972972177.db2.gz SKOVYYQYFLRBLB-SUIFULHWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCC2CCC2)C1 ZINC001328395551 973019640 /nfs/dbraw/zinc/01/96/40/973019640.db2.gz XQIROXPEGTVGFU-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171229994 973023009 /nfs/dbraw/zinc/02/30/09/973023009.db2.gz ACZAPAWWNJCRQZ-AWEZNQCLSA-N 1 0 236.318 2.058 20 30 BEEDRO C=CC[NH2+]CCNC(=O)c1cccc(C(C)C)c1 ZINC001146624078 973179742 /nfs/dbraw/zinc/17/97/42/973179742.db2.gz USNOHHIMVQQYOB-UHFFFAOYSA-N 1 0 246.354 2.315 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC001328804473 973351813 /nfs/dbraw/zinc/35/18/13/973351813.db2.gz WLTJBJJMDLFWQI-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCC ZINC001328987218 973419085 /nfs/dbraw/zinc/41/90/85/973419085.db2.gz HSHOQQCCEVFQKS-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[N@H+]1CCC2(CN(C(=O)/C(C)=C\CC)C2)C1 ZINC001147106097 973435931 /nfs/dbraw/zinc/43/59/31/973435931.db2.gz LWOMTEYCNXWVBM-MLPAPPSSSA-N 1 0 248.370 2.063 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)OCc1cncc(C#N)c1 ZINC001224132986 973460913 /nfs/dbraw/zinc/46/09/13/973460913.db2.gz ANTUABFIWQLZCM-GFCCVEGCSA-N 1 0 247.342 2.200 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC(F)F ZINC001329084459 973468224 /nfs/dbraw/zinc/46/82/24/973468224.db2.gz FIPPRDPKOOYQLE-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000234837929 973776310 /nfs/dbraw/zinc/77/63/10/973776310.db2.gz NTDQCMHJDVUXGR-RKDXNWHRSA-N 1 0 203.713 2.142 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000234838378 973778045 /nfs/dbraw/zinc/77/80/45/973778045.db2.gz AJOYGLFLSGFHPQ-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCCCF)cc1 ZINC000128902853 973864677 /nfs/dbraw/zinc/86/46/77/973864677.db2.gz DTYQCUKGLRINJZ-UHFFFAOYSA-N 1 0 209.268 2.081 20 30 BEEDRO CC#C[C@@H](CC)OC[C@H]1CCCC[N@@H+]1C ZINC001224705193 973874088 /nfs/dbraw/zinc/87/40/88/973874088.db2.gz DOESADWJLZYGLO-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@H](CCC)OC[C@@H]1CCCC[N@@H+]1C ZINC001224707060 973879051 /nfs/dbraw/zinc/87/90/51/973879051.db2.gz OIABTFOCKJBDLX-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO N#CCc1c(F)cccc1NC[C@@H]1CCCC[NH2+]1 ZINC001171341234 973896944 /nfs/dbraw/zinc/89/69/44/973896944.db2.gz VGESTWHACMDTJL-NSHDSACASA-N 1 0 247.317 2.446 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1cc(C)ccc1C ZINC001148973630 973906258 /nfs/dbraw/zinc/90/62/58/973906258.db2.gz BZVPKOYDHXOMBZ-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C#C[C@H](CCCC)OC[C@@H]1CCC[N@@H+]1C ZINC001224817725 973998663 /nfs/dbraw/zinc/99/86/63/973998663.db2.gz YHVZZGAUSUNRAS-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001329862606 973983642 /nfs/dbraw/zinc/98/36/42/973983642.db2.gz LRNQJQCPOMFQHA-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2c(F)cccc2C1 ZINC001171405834 974010350 /nfs/dbraw/zinc/01/03/50/974010350.db2.gz AQKZTPDVWSYULO-CMPLNLGQSA-N 1 0 217.287 2.294 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCc3c(F)cccc3C2)CC1 ZINC001171409871 974015344 /nfs/dbraw/zinc/01/53/44/974015344.db2.gz QXNGZTILCYNBJG-GFCCVEGCSA-N 1 0 229.298 2.438 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCC#CC1CC1)C2 ZINC001224844010 974017675 /nfs/dbraw/zinc/01/76/75/974017675.db2.gz IWBFKQNATBJHHM-BTTYYORXSA-N 1 0 219.328 2.042 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)OCC#CC1CC1 ZINC001224843178 974020639 /nfs/dbraw/zinc/02/06/39/974020639.db2.gz ALSJTEAWLVQKKU-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H](CS)OCCC[NH+]1CCCCC1 ZINC001224861408 974025441 /nfs/dbraw/zinc/02/54/41/974025441.db2.gz VTMWQHVUKKSGBQ-LLVKDONJSA-N 1 0 217.378 2.197 20 30 BEEDRO C=C(C)C[NH+]1CC([C@H](C)NC(=O)CC(C)C)C1 ZINC001329953076 974047829 /nfs/dbraw/zinc/04/78/29/974047829.db2.gz NHRHUGRCGMEPSQ-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3[nH]cnc3c2)C1 ZINC001137047824 974050794 /nfs/dbraw/zinc/05/07/94/974050794.db2.gz ODEWCXXPLXZMIG-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)C[C@H](C)CC)C1 ZINC001329986806 974065348 /nfs/dbraw/zinc/06/53/48/974065348.db2.gz ZYZQJLOHLZNBCV-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1cccc2c1CC[C@@H]([NH2+]CCS)C2 ZINC001171551519 974095912 /nfs/dbraw/zinc/09/59/12/974095912.db2.gz PRDUQCDEZNWIJL-GFCCVEGCSA-N 1 0 221.369 2.372 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccn1C1CC1 ZINC001330114946 974116339 /nfs/dbraw/zinc/11/63/39/974116339.db2.gz OUJRFOMPKYVHEQ-ZDUSSCGKSA-N 1 0 246.354 2.341 20 30 BEEDRO C#CCN(CC#C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171641628 974134992 /nfs/dbraw/zinc/13/49/92/974134992.db2.gz RAYSMPBSVQUQHL-UHFFFAOYSA-N 1 0 246.398 2.206 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC001248748837 974140107 /nfs/dbraw/zinc/14/01/07/974140107.db2.gz XRJRGRJTUZGMDS-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171773794 974158137 /nfs/dbraw/zinc/15/81/37/974158137.db2.gz OWPAZHLAFXRAPV-NSHDSACASA-N 1 0 217.287 2.294 20 30 BEEDRO N#CC1CC([NH2+][C@H]2Cc3cccc(F)c3C2)C1 ZINC001171787671 974175746 /nfs/dbraw/zinc/17/57/46/974175746.db2.gz LPBNYUBXIBANHF-NHNAUAITSA-N 1 0 230.286 2.185 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)C ZINC001171798581 974192332 /nfs/dbraw/zinc/19/23/32/974192332.db2.gz CSLAYGNCFWBDGA-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[N@H+](CC1CCC(O)CC1)[C@H](C)COC ZINC001330565970 974319367 /nfs/dbraw/zinc/31/93/67/974319367.db2.gz NBHXXHNUCQMQNN-IYXRBSQSSA-N 1 0 241.375 2.060 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(CC#N)cc1 ZINC001225268367 974331155 /nfs/dbraw/zinc/33/11/55/974331155.db2.gz WLCJNJRLEFZYID-LBPRGKRZSA-N 1 0 233.335 2.226 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc2ccccc2n1C ZINC001330620644 974365714 /nfs/dbraw/zinc/36/57/14/974365714.db2.gz GKFVXYYOVGEVCO-CYBMUJFWSA-N 1 0 244.338 2.469 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCC1CCOCC1 ZINC001330624426 974368574 /nfs/dbraw/zinc/36/85/74/974368574.db2.gz AGGFSELPRPGOBM-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO C=CC[NH2+][C@H]1CSc2ccccc2C1 ZINC001172188797 974394203 /nfs/dbraw/zinc/39/42/03/974394203.db2.gz XCFDXLJLKFVKRN-LLVKDONJSA-N 1 0 205.326 2.479 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C#N)c(F)c2)C1 ZINC001225352536 974436037 /nfs/dbraw/zinc/43/60/37/974436037.db2.gz AHVDWRRRIVPONA-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)c(F)c2)C1 ZINC001225352535 974437019 /nfs/dbraw/zinc/43/70/19/974437019.db2.gz AHVDWRRRIVPONA-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001172220230 974452568 /nfs/dbraw/zinc/45/25/68/974452568.db2.gz GXDNAFVTAYJBQW-MQVJKMGUSA-N 1 0 241.334 2.468 20 30 BEEDRO CC1(C#N)CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172231693 974473430 /nfs/dbraw/zinc/47/34/30/974473430.db2.gz UYVYTIHIOUEGFB-YHWZYXNKSA-N 1 0 234.343 2.322 20 30 BEEDRO C=CCC[NH2+]CCC[C@@H](C)NC(=O)C1(C)CC1 ZINC001330818731 974488960 /nfs/dbraw/zinc/48/89/60/974488960.db2.gz DOSNTXURJAOKID-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CO1 ZINC001172272239 974490964 /nfs/dbraw/zinc/49/09/64/974490964.db2.gz WRLUOHPBPJPBIU-IJLUTSLNSA-N 1 0 222.332 2.226 20 30 BEEDRO CCCC[N@H+](CCC#N)C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172240456 974503861 /nfs/dbraw/zinc/50/38/61/974503861.db2.gz KEZFUTFUDZCABO-AGUYFDCRSA-N 1 0 234.343 2.488 20 30 BEEDRO CCC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301536 974513261 /nfs/dbraw/zinc/51/32/61/974513261.db2.gz QHBJZURMWSCOKJ-DOMZBBRYSA-N 1 0 246.354 2.240 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172301585 974514820 /nfs/dbraw/zinc/51/48/20/974514820.db2.gz RWKQFZXHTLNFOJ-LBPRGKRZSA-N 1 0 212.296 2.102 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@]1(C)CCOC1 ZINC001172306075 974516677 /nfs/dbraw/zinc/51/66/77/974516677.db2.gz WJLNZKOFTZZKFO-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001330880490 974517743 /nfs/dbraw/zinc/51/77/43/974517743.db2.gz SCIAWZGPJSAPSF-RYUDHWBXSA-N 1 0 238.375 2.222 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1C ZINC001172308561 974517303 /nfs/dbraw/zinc/51/73/03/974517303.db2.gz LGYVCZJPQWRPFU-CHWSQXEVSA-N 1 0 244.338 2.210 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172302803 974517693 /nfs/dbraw/zinc/51/76/93/974517693.db2.gz QZRXMNWEFOGNPS-DFBGVHRSSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCO[C@@H](C)C1 ZINC001172314903 974521794 /nfs/dbraw/zinc/52/17/94/974521794.db2.gz MHKMHJFBHHIAHS-STQMWFEESA-N 1 0 244.338 2.210 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC001172325267 974536419 /nfs/dbraw/zinc/53/64/19/974536419.db2.gz SNQGRHKAJCEOGY-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](C)OCC[C@H](C)[NH2+]C1CC(C#N)C1 ZINC001172327073 974537380 /nfs/dbraw/zinc/53/73/80/974537380.db2.gz CWPQHVUNGHUTOK-ZFDZMSFRSA-N 1 0 224.348 2.472 20 30 BEEDRO CC1(C)C[C@H]([NH2+]C2(CC#N)CCCC2)CO1 ZINC001172281080 974538579 /nfs/dbraw/zinc/53/85/79/974538579.db2.gz XYYFUASXCAGSDG-NSHDSACASA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)n1nccc1C[NH3+] ZINC001172289807 974554209 /nfs/dbraw/zinc/55/42/09/974554209.db2.gz IHINKCZILFPQAG-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)n1nccc1C[NH3+] ZINC001172289808 974555264 /nfs/dbraw/zinc/55/52/64/974555264.db2.gz IHINKCZILFPQAG-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccno1 ZINC001172290413 974557313 /nfs/dbraw/zinc/55/73/13/974557313.db2.gz PKGHIGQLHSEIDJ-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCS ZINC001172290823 974557371 /nfs/dbraw/zinc/55/73/71/974557371.db2.gz SIEAYIZZSCIMMQ-JTQLQIEISA-N 1 0 220.341 2.009 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)n1ccc(C[NH3+])n1 ZINC001172294257 974560879 /nfs/dbraw/zinc/56/08/79/974560879.db2.gz GXKYSQNTXDSFLK-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001172376408 974575022 /nfs/dbraw/zinc/57/50/22/974575022.db2.gz BKYIOIDOJJPMNW-MELADBBJSA-N 1 0 203.329 2.380 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001331074358 974587115 /nfs/dbraw/zinc/58/71/15/974587115.db2.gz CHEYJXJXSVGTIF-FIYWTHMPSA-N 1 0 222.332 2.226 20 30 BEEDRO C#C[C@H]([NH2+]CC1(OC)CCC1)C(C)(C)C ZINC001331075783 974588978 /nfs/dbraw/zinc/58/89/78/974588978.db2.gz VOHYPLJVABOBPW-NSHDSACASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC1([NH2+][C@@H](C)CCO[C@@H](C)CC)CC1 ZINC001172341500 974608261 /nfs/dbraw/zinc/60/82/61/974608261.db2.gz GOKUFFRIHLLRIY-RYUDHWBXSA-N 1 0 209.333 2.336 20 30 BEEDRO N#Cc1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1F ZINC001225821377 974695769 /nfs/dbraw/zinc/69/57/69/974695769.db2.gz ZLBQMVYIXDOVNA-AWEZNQCLSA-N 1 0 246.285 2.170 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)/C=C(/C)CC ZINC001331438719 974717504 /nfs/dbraw/zinc/71/75/04/974717504.db2.gz BUFXMDUTGVNQQC-LLBKUYECSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)/C=C(/C)CC ZINC001331438717 974723970 /nfs/dbraw/zinc/72/39/70/974723970.db2.gz BUFXMDUTGVNQQC-FSBNRTBOSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H](CC)CC(C)C ZINC001172388352 974734842 /nfs/dbraw/zinc/73/48/42/974734842.db2.gz FCBCFTSPQBGCJD-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCCC(C)C ZINC001331586323 974772181 /nfs/dbraw/zinc/77/21/81/974772181.db2.gz YHMWJTHCNYHKPO-OLZOCXBDSA-N 1 0 211.349 2.175 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@@H](C)CCCC#N ZINC001172476147 974772518 /nfs/dbraw/zinc/77/25/18/974772518.db2.gz HZGVBZZZDKGAAT-NWDGAFQWSA-N 1 0 212.337 2.065 20 30 BEEDRO COc1cccc(CC[NH2+][C@@H](C)CCCC#N)n1 ZINC001172476497 974772857 /nfs/dbraw/zinc/77/28/57/974772857.db2.gz LQMURXANASVRMG-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCN1CCCCC1 ZINC001172476214 974773209 /nfs/dbraw/zinc/77/32/09/974773209.db2.gz IZXGLMABHCPTNY-ZDUSSCGKSA-N 1 0 223.364 2.144 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCCC(C)(C)CO ZINC001172478059 974776069 /nfs/dbraw/zinc/77/60/69/974776069.db2.gz BFHXXNHDQVNGKK-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO COC(=O)C1(C[NH2+][C@@H](C)CCCC#N)CCC1 ZINC001172478205 974776761 /nfs/dbraw/zinc/77/67/61/974776761.db2.gz CZDDYNNDQZXYLB-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)CCC[NH2+][C@@H](C)CCCC#N ZINC001172479498 974779679 /nfs/dbraw/zinc/77/96/79/974779679.db2.gz LZYKZHGQRIGSOV-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO CCCCN(C)CC[NH2+][C@@H](C)CCCC#N ZINC001172481526 974780911 /nfs/dbraw/zinc/78/09/11/974780911.db2.gz VTQMWHXNYCZNIH-ZDUSSCGKSA-N 1 0 225.380 2.390 20 30 BEEDRO CSCCC[NH2+][C@@H](C)CCCC#N ZINC001172481261 974781480 /nfs/dbraw/zinc/78/14/80/974781480.db2.gz RURJTENPGNGGSS-JTQLQIEISA-N 1 0 200.351 2.411 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)CN1CCCC1 ZINC001172481254 974781752 /nfs/dbraw/zinc/78/17/52/974781752.db2.gz RPLTYRMPTDCBBK-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1(F)CCOCC1 ZINC001172482856 974784941 /nfs/dbraw/zinc/78/49/41/974784941.db2.gz KPIWWHFQUHIJQO-NSHDSACASA-N 1 0 228.311 2.177 20 30 BEEDRO C[C@H](CCCC#N)N(C(N)=[NH2+])c1ccccc1 ZINC001172483370 974786854 /nfs/dbraw/zinc/78/68/54/974786854.db2.gz PWSGNZBKSVBCHI-LLVKDONJSA-N 1 0 230.315 2.469 20 30 BEEDRO CC(=O)CC(C)(C)[NH2+][C@H](C)CCCC#N ZINC001172485525 974788980 /nfs/dbraw/zinc/78/89/80/974788980.db2.gz QZKCJRACDYFAKN-SNVBAGLBSA-N 1 0 210.321 2.416 20 30 BEEDRO CCOc1nccc(C[NH2+][C@H](C)CCCC#N)n1 ZINC001172486177 974790581 /nfs/dbraw/zinc/79/05/81/974790581.db2.gz CENZMCPTGHJONT-LLVKDONJSA-N 1 0 248.330 2.047 20 30 BEEDRO COc1cccnc1C[NH2+][C@@H](C)CCCC#N ZINC001172486372 974791317 /nfs/dbraw/zinc/79/13/17/974791317.db2.gz BEXIJWMLPKNUDN-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2cccc(/C=N/O)c2)CC1 ZINC001226115208 974796905 /nfs/dbraw/zinc/79/69/05/974796905.db2.gz YDOBTHNPKKQRKT-JMRXEAOASA-N 1 0 248.326 2.358 20 30 BEEDRO CC(C)OCC[C@H](C)[NH+]1CCC(C#N)CC1 ZINC001172440883 974799681 /nfs/dbraw/zinc/79/96/81/974799681.db2.gz PZLUILMYLUEQSH-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)OCC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172448918 974813148 /nfs/dbraw/zinc/81/31/48/974813148.db2.gz QEYMAKHHWYYLTF-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC1(CC[NH2+][C@H](C)CCCC#N)OCCO1 ZINC001172487616 974831034 /nfs/dbraw/zinc/83/10/34/974831034.db2.gz CQBYHAIFOHESNI-GFCCVEGCSA-N 1 0 240.347 2.202 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(F)cn1 ZINC001172488126 974833453 /nfs/dbraw/zinc/83/34/53/974833453.db2.gz JAEDYDZPLONBLO-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H](C)CCCC#N ZINC001172489652 974835209 /nfs/dbraw/zinc/83/52/09/974835209.db2.gz XQXMXBOOXUDBFC-KGLIPLIRSA-N 1 0 235.375 2.309 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@]1(C)CCOC1 ZINC001172490781 974836125 /nfs/dbraw/zinc/83/61/25/974836125.db2.gz AEDIUHJEYSMGCZ-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172491702 974836628 /nfs/dbraw/zinc/83/66/28/974836628.db2.gz OUHCFWNZBXYUOV-WOPDTQHZSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCOc1ccncc1 ZINC001172490630 974836838 /nfs/dbraw/zinc/83/68/38/974836838.db2.gz JGTUZCIXIQUPOD-LBPRGKRZSA-N 1 0 233.315 2.132 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cnc(Cl)cn1 ZINC001172491740 974839097 /nfs/dbraw/zinc/83/90/97/974839097.db2.gz IUDYSDAEOJWEBS-VIFPVBQESA-N 1 0 238.722 2.302 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)C1CCN(C)CC1 ZINC001172493085 974841880 /nfs/dbraw/zinc/84/18/80/974841880.db2.gz WEOBIOXDSOBSRK-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H](CCCC#N)n1ccnc1CCC[NH3+] ZINC001172492958 974842638 /nfs/dbraw/zinc/84/26/38/974842638.db2.gz VRGUDFRDPHLYBA-NSHDSACASA-N 1 0 220.320 2.029 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001172496501 974844516 /nfs/dbraw/zinc/84/45/16/974844516.db2.gz NBACFWQCFXSHLL-AXFHLTTASA-N 1 0 244.285 2.035 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC(=O)[C@@H](C)C1 ZINC001172494410 974845997 /nfs/dbraw/zinc/84/59/97/974845997.db2.gz UDYDDLXAWRZMLT-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001172498120 974846860 /nfs/dbraw/zinc/84/68/60/974846860.db2.gz IYTPLBZPQVIOGG-FIQHERPVSA-N 1 0 210.296 2.216 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC001172498560 974847428 /nfs/dbraw/zinc/84/74/28/974847428.db2.gz ODXMAKANAYQNJA-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO CC(C)C[NH+]1CCN([C@@H](C)CCCC#N)CC1 ZINC001172497155 974847730 /nfs/dbraw/zinc/84/77/30/974847730.db2.gz YXZRXZMRRUYDHX-AWEZNQCLSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001172496625 974849040 /nfs/dbraw/zinc/84/90/40/974849040.db2.gz OTHSIUDOHNUYHA-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO CCC[N@H+](CC(=O)OCC)[C@H](C)CCCC#N ZINC001172499635 974850158 /nfs/dbraw/zinc/85/01/58/974850158.db2.gz YXQIZYLZGYLAJS-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO CC(C)[N@H+](C)[C@H]1CCN([C@H](C)CCCC#N)C1 ZINC001172499408 974851770 /nfs/dbraw/zinc/85/17/70/974851770.db2.gz WWBZAELUYBLXPW-KGLIPLIRSA-N 1 0 237.391 2.483 20 30 BEEDRO C[C@H](CCCC#N)N1CCC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001172500315 974853381 /nfs/dbraw/zinc/85/33/81/974853381.db2.gz LOJUTMQOHNMCJJ-MGPQQGTHSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H](CCCC#N)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001172503735 974855704 /nfs/dbraw/zinc/85/57/04/974855704.db2.gz BYLXYPKGRTWPLB-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO COCC[N@H+](C(C)C)[C@@H](C)CCCC#N ZINC001172504323 974856229 /nfs/dbraw/zinc/85/62/29/974856229.db2.gz GLWRNVYLEKQTMH-LBPRGKRZSA-N 1 0 212.337 2.426 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@H](C)CCCC#N)n(C)n1 ZINC001172503611 974857461 /nfs/dbraw/zinc/85/74/61/974857461.db2.gz AZVRZNQMLDAQAY-GFCCVEGCSA-N 1 0 234.347 2.243 20 30 BEEDRO C[C@@H](CCCC#N)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001172506731 974858995 /nfs/dbraw/zinc/85/89/95/974858995.db2.gz ISBQISHTZQYEAN-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC001172507458 974861375 /nfs/dbraw/zinc/86/13/75/974861375.db2.gz UXXFHONQHATCQA-QWHCGFSZSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H](CCCC#N)N1CC[NH+](C(C)(C)C)CC1 ZINC001172507463 974861923 /nfs/dbraw/zinc/86/19/23/974861923.db2.gz VADNOPMUVNPZQW-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO CSCC[N@H+](C)[C@@H](C)CCCC#N ZINC001172508434 974862029 /nfs/dbraw/zinc/86/20/29/974862029.db2.gz CZGODEDAKDDJLX-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC001172507457 974863180 /nfs/dbraw/zinc/86/31/80/974863180.db2.gz UXXFHONQHATCQA-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172509011 974863453 /nfs/dbraw/zinc/86/34/53/974863453.db2.gz JBCBAPDCJDJMFZ-VXGBXAGGSA-N 1 0 205.305 2.304 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)CC(C)(C)C ZINC001277120740 974864458 /nfs/dbraw/zinc/86/44/58/974864458.db2.gz ALEBBHHYEDXVJN-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CC(C)c1ccc(C#N)c(O[C@H]2CC[N@H+](C)C2)n1 ZINC001226355872 974866925 /nfs/dbraw/zinc/86/69/25/974866925.db2.gz MGSSNQIEBOOGSU-LBPRGKRZSA-N 1 0 245.326 2.160 20 30 BEEDRO CC(C)c1ccc(C#N)c(O[C@H](C)C[NH+](C)C)n1 ZINC001226355202 974867083 /nfs/dbraw/zinc/86/70/83/974867083.db2.gz DDGAADSPXJALLR-LLVKDONJSA-N 1 0 247.342 2.406 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172614807 974886919 /nfs/dbraw/zinc/88/69/19/974886919.db2.gz DWCLEPBCMNEZPS-OLZOCXBDSA-N 1 0 237.343 2.392 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC001331975372 974899965 /nfs/dbraw/zinc/89/99/65/974899965.db2.gz FIYWPZXPHDWAHP-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172625005 974902846 /nfs/dbraw/zinc/90/28/46/974902846.db2.gz UOKHUSQNNCDCPE-KBPBESRZSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCC[C@@H](C(=O)OC)C2)CC1 ZINC001172625008 974902968 /nfs/dbraw/zinc/90/29/68/974902968.db2.gz UOKHUSQNNCDCPE-ZIAGYGMSSA-N 1 0 249.354 2.063 20 30 BEEDRO Cc1cc(C#N)cc(C)c1O[C@H]1CC[N@@H+](C)C1 ZINC001226521655 974941876 /nfs/dbraw/zinc/94/18/76/974941876.db2.gz JWHPPCPVNQCNGI-ZDUSSCGKSA-N 1 0 230.311 2.258 20 30 BEEDRO Cc1ccc2c(c1)C[C@H]([NH2+]CCS)CC2 ZINC001172826073 974948856 /nfs/dbraw/zinc/94/88/56/974948856.db2.gz OHRBKZPTLKBHEK-CYBMUJFWSA-N 1 0 221.369 2.372 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2ccc(C)cc2C1 ZINC001172841937 974956488 /nfs/dbraw/zinc/95/64/88/974956488.db2.gz KBHRCBVLLKJKEB-OAHLLOKOSA-N 1 0 213.324 2.465 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC001172925695 974971259 /nfs/dbraw/zinc/97/12/59/974971259.db2.gz IKZIFVNMEORORD-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C=C(C)C)[C@H]1C ZINC001332163315 974985867 /nfs/dbraw/zinc/98/58/67/974985867.db2.gz ZHYANOWMFGKDIY-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C=C(C)C)[C@H]1C ZINC001332163314 974986834 /nfs/dbraw/zinc/98/68/34/974986834.db2.gz ZHYANOWMFGKDIY-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCC[C@H](OC)C2)CC1 ZINC001172945962 975003253 /nfs/dbraw/zinc/00/32/53/975003253.db2.gz DIKACAHUHSOTNC-KGLIPLIRSA-N 1 0 221.344 2.289 20 30 BEEDRO N#C[C@H](Oc1cc[nH+]c(N)c1)c1ccccc1 ZINC001226657452 975005927 /nfs/dbraw/zinc/00/59/27/975005927.db2.gz PXKDTQCSVRJBME-LBPRGKRZSA-N 1 0 225.251 2.307 20 30 BEEDRO CC[NH+](CC)C1CCC(N[C@@H](C)C#N)CC1 ZINC001173107659 975026307 /nfs/dbraw/zinc/02/63/07/975026307.db2.gz IFLDVMWVAGGNSG-HIFPTAJRSA-N 1 0 223.364 2.141 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)/C(C)=C\C)C1 ZINC001332253083 975028015 /nfs/dbraw/zinc/02/80/15/975028015.db2.gz KAYMHXVQTFJTAM-WNIKWDQDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001332253080 975028638 /nfs/dbraw/zinc/02/86/38/975028638.db2.gz KAYMHXVQTFJTAM-JUPNIWIKSA-N 1 0 236.359 2.013 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCc3ncsc3C2)CCC1 ZINC001173122844 975032809 /nfs/dbraw/zinc/03/28/09/975032809.db2.gz VOVOPXLRNYBZNY-JTQLQIEISA-N 1 0 247.367 2.284 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCc2ncsc2C1 ZINC001173124225 975034588 /nfs/dbraw/zinc/03/45/88/975034588.db2.gz MNFMZJMUXWTNGI-JTQLQIEISA-N 1 0 235.356 2.284 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001173146982 975046586 /nfs/dbraw/zinc/04/65/86/975046586.db2.gz UDGIBGBVHSPHIO-GWCFXTLKSA-N 1 0 247.367 2.236 20 30 BEEDRO C[C@H]1C[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)CCO1 ZINC001173171901 975070468 /nfs/dbraw/zinc/07/04/68/975070468.db2.gz FIBILEALGKIRMK-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]1C[C@H]([N@@H+]2CCC[C@H](CC#N)C2)CCO1 ZINC001173171902 975071310 /nfs/dbraw/zinc/07/13/10/975071310.db2.gz FIBILEALGKIRMK-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC1CC1)C2 ZINC001095088130 975089846 /nfs/dbraw/zinc/08/98/46/975089846.db2.gz QUSRSHLNNSGLND-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCCCCCC[N@H+]1CC[C@@H]2C[C@@]21C(N)=O ZINC001277153315 975094189 /nfs/dbraw/zinc/09/41/89/975094189.db2.gz SYQZSDYNARGEFQ-OCCSQVGLSA-N 1 0 236.359 2.073 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CC[C@H](CC)C1 ZINC001173261791 975111720 /nfs/dbraw/zinc/11/17/20/975111720.db2.gz CZQKWLLHRBIQPC-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC001173267304 975131659 /nfs/dbraw/zinc/13/16/59/975131659.db2.gz RDEAQZYKXTYXCX-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO Cc1cccc(O[C@@H](C)C[NH+](C)C)c1C#N ZINC001226919964 975150845 /nfs/dbraw/zinc/15/08/45/975150845.db2.gz IDMNGVBMAPJGOB-NSHDSACASA-N 1 0 218.300 2.196 20 30 BEEDRO CCSC[C@H](C)[NH2+]Cc1ccc(C#N)nc1 ZINC001173294893 975173583 /nfs/dbraw/zinc/17/35/83/975173583.db2.gz HUHALVGNJWAOKV-JTQLQIEISA-N 1 0 235.356 2.184 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H](C)COC)CC1 ZINC001173309200 975219444 /nfs/dbraw/zinc/21/94/44/975219444.db2.gz RXLKXNCBHIBFPG-HIFPTAJRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2nccn2C)CC1 ZINC001173309695 975220504 /nfs/dbraw/zinc/22/05/04/975220504.db2.gz ZTPJLPVWXZZRRY-UHFFFAOYSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCN1CC[NH+]([C@@H]2CC[C@@H](CC)C2)CC1 ZINC001173279363 975236214 /nfs/dbraw/zinc/23/62/14/975236214.db2.gz LFVUWEMZGQZEKL-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO CCSC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC001173286975 975250895 /nfs/dbraw/zinc/25/08/95/975250895.db2.gz JASFQZXPSXYFCN-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO Cc1ccnc(N)c1C[NH+]1CCC(CC#N)CC1 ZINC001332703957 975259484 /nfs/dbraw/zinc/25/94/84/975259484.db2.gz AMGLBHZHBNKVKT-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO C=CCOC1CCC([NH+]2CC(OCC)C2)CC1 ZINC001173321384 975267231 /nfs/dbraw/zinc/26/72/31/975267231.db2.gz JYGDRQSQFFMJHS-UHFFFAOYSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOC1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC001173321522 975268592 /nfs/dbraw/zinc/26/85/92/975268592.db2.gz LBIPLTINTXQNOQ-HSBZDZAISA-N 1 0 239.359 2.221 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001332716126 975269535 /nfs/dbraw/zinc/26/95/35/975269535.db2.gz DNXRMOBQWWNRNC-GDBMZVCRSA-N 1 0 245.366 2.290 20 30 BEEDRO COC(=O)CCC[NH2+]C1CCC(CC#N)CC1 ZINC001173324270 975271992 /nfs/dbraw/zinc/27/19/92/975271992.db2.gz LCODFAROGNEYCI-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)[N@H+](CCN)C1CCC(CC#N)CC1 ZINC001173325211 975273172 /nfs/dbraw/zinc/27/31/72/975273172.db2.gz DSVKMKCFNMPYFC-UHFFFAOYSA-N 1 0 223.364 2.128 20 30 BEEDRO C=CCOC1CCC([N@H+](CC)C2COC2)CC1 ZINC001173326983 975275982 /nfs/dbraw/zinc/27/59/82/975275982.db2.gz YMPVNMYYKFQTFI-UHFFFAOYSA-N 1 0 239.359 2.221 20 30 BEEDRO Cc1cc(C[NH2+]C2CCC(CC#N)CC2)n(C)n1 ZINC001173327718 975275999 /nfs/dbraw/zinc/27/59/99/975275999.db2.gz HPLISHPQYYXTFW-UHFFFAOYSA-N 1 0 246.358 2.291 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC001173326475 975276057 /nfs/dbraw/zinc/27/60/57/975276057.db2.gz ZXTOGBCUJWFJHG-ROKHWSDSSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCC1CCC([NH2+]CC2CSC2)CC1 ZINC001173330020 975279388 /nfs/dbraw/zinc/27/93/88/975279388.db2.gz ROEWFKKOKJGWPN-UHFFFAOYSA-N 1 0 224.373 2.411 20 30 BEEDRO N#CCC1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001173329083 975280109 /nfs/dbraw/zinc/28/01/09/975280109.db2.gz AEELLSURGUZKND-UHFFFAOYSA-N 1 0 220.316 2.028 20 30 BEEDRO Cn1ncc2c1C[N@@H+](C1CCC(CC#N)CC1)C2 ZINC001173339009 975283877 /nfs/dbraw/zinc/28/38/77/975283877.db2.gz KDVOYRFWOZWKFS-UHFFFAOYSA-N 1 0 244.342 2.208 20 30 BEEDRO C[N@H+]([C@H]1CCOC1)C1CCC(CC#N)CC1 ZINC001173339057 975286421 /nfs/dbraw/zinc/28/64/21/975286421.db2.gz KNUCNCWPSIJQSU-BPCQOVAHSA-N 1 0 222.332 2.180 20 30 BEEDRO CCC1(CC)CC[NH+](C[C@H](O)CC#N)CC1 ZINC001332937904 975330884 /nfs/dbraw/zinc/33/08/84/975330884.db2.gz QNFFWUGGVBAXFR-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(CCC#N)C2CCCC2)C1 ZINC001173364068 975339737 /nfs/dbraw/zinc/33/97/37/975339737.db2.gz SUADFEIRVSFBGE-AWEZNQCLSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[N@@H+]([C@H]1CCN(CC)C1)C(C)(C)C ZINC001173367048 975352084 /nfs/dbraw/zinc/35/20/84/975352084.db2.gz DJROIXVRZCHHBS-LBPRGKRZSA-N 1 0 210.365 2.367 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(CC#N)Cc2ccccc2)C1 ZINC001173373229 975363417 /nfs/dbraw/zinc/36/34/17/975363417.db2.gz UWTOGJHBGMADIA-HNNXBMFYSA-N 1 0 243.354 2.106 20 30 BEEDRO N#CC1(C[NH2+]C2([C@@H]3CCCCO3)CCC2)CC1 ZINC001333053850 975385366 /nfs/dbraw/zinc/38/53/66/975385366.db2.gz QJXIATNKILOYEE-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CCCCC(=O)OC ZINC001173457210 975397727 /nfs/dbraw/zinc/39/77/27/975397727.db2.gz JDIBOGBCNXJFEK-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO CC1(C#N)CCC(n2ccnc2CC[NH3+])CC1 ZINC001173584740 975422846 /nfs/dbraw/zinc/42/28/46/975422846.db2.gz JONFGRRHJXAVGD-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO Cc1cc(C[NH3+])nn1C1CCC(C)(C#N)CC1 ZINC001173584603 975427086 /nfs/dbraw/zinc/42/70/86/975427086.db2.gz CFXOJSLTNXUPLZ-UHFFFAOYSA-N 1 0 232.331 2.295 20 30 BEEDRO COC1(C)C[NH+](C2CCC(C)(C#N)CC2)C1 ZINC001173592174 975438882 /nfs/dbraw/zinc/43/88/82/975438882.db2.gz JCJFFHQPTHJMFY-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO Cn1ccnc1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592188 975446022 /nfs/dbraw/zinc/44/60/22/975446022.db2.gz JMXXCIPINJBKFT-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO CC1(C#N)CCC(N2CC([NH+]3CCCC3)C2)CC1 ZINC001173596314 975460556 /nfs/dbraw/zinc/46/05/56/975460556.db2.gz RLFIWSCOWANXLZ-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO CCOC(=O)C[C@H]1CC[C@H]([NH2+]CCCC#N)C1 ZINC001173637602 975493617 /nfs/dbraw/zinc/49/36/17/975493617.db2.gz VCBCELSQRNGWAS-RYUDHWBXSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC[NH2+]C1CCC2(C[C@H]2C(=O)OCC)CC1 ZINC001173616054 975494084 /nfs/dbraw/zinc/49/40/84/975494084.db2.gz IWSWCMUTWMPGEG-LXVYMNJGSA-N 1 0 237.343 2.274 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173629002 975495608 /nfs/dbraw/zinc/49/56/08/975495608.db2.gz VVBOKYAWPRUOMN-RYUDHWBXSA-N 1 0 237.343 2.110 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173627062 975496612 /nfs/dbraw/zinc/49/66/12/975496612.db2.gz KWWFCGAYUSHYAG-QWHCGFSZSA-N 1 0 237.343 2.111 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCC[C@H](n2ncnn2)C1 ZINC001173766855 975558399 /nfs/dbraw/zinc/55/83/99/975558399.db2.gz XBDRAYNXBMYPHU-OLZOCXBDSA-N 1 0 249.362 2.055 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]1(C)CC1(C)C ZINC001333221229 975575518 /nfs/dbraw/zinc/57/55/18/975575518.db2.gz SIICAQNRXFRBAV-BXKDBHETSA-N 1 0 244.766 2.009 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cc(C)cc(C#N)c2)C1 ZINC001227835561 975723010 /nfs/dbraw/zinc/72/30/10/975723010.db2.gz KVZXDGWPVCBNNC-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1cc(C#N)cc(OC2CC[NH+](C)CC2)c1 ZINC001227834713 975725339 /nfs/dbraw/zinc/72/53/39/975725339.db2.gz CPJFBUHXGATTJW-UHFFFAOYSA-N 1 0 230.311 2.340 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCCC(C)(C)C1 ZINC001333394686 975745966 /nfs/dbraw/zinc/74/59/66/975745966.db2.gz SLFXCYAGBNDHQU-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1(CC#N)CC1 ZINC001333399769 975754827 /nfs/dbraw/zinc/75/48/27/975754827.db2.gz CKWITSANKKOYKI-UHFFFAOYSA-N 1 0 202.301 2.025 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001333486795 975811878 /nfs/dbraw/zinc/81/18/78/975811878.db2.gz PVSLIXXQTNORNS-AEJSXWLSSA-N 1 0 235.249 2.050 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CCC[NH2+]C(C)C ZINC001277263873 975868556 /nfs/dbraw/zinc/86/85/56/975868556.db2.gz ILJCEVVKQPPJEP-GFCCVEGCSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC[NH2+]CCC[C@H](C)NC(=O)C/C=C(/C)C=C ZINC001277271395 975921173 /nfs/dbraw/zinc/92/11/73/975921173.db2.gz HGSJZFZJZAZWKC-XXYUJHKVSA-N 1 0 248.370 2.017 20 30 BEEDRO N#Cc1ccc(Nc2cc[nH+]cc2)cc1F ZINC001173883611 975956576 /nfs/dbraw/zinc/95/65/76/975956576.db2.gz NXYRCMXSDAGGSG-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](CCC)CCC=C ZINC001333718524 976017204 /nfs/dbraw/zinc/01/72/04/976017204.db2.gz ILRLZGAILOGQAF-STQMWFEESA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCCCC(=O)N1CCC([NH3+])(CC)CC1 ZINC001333711201 976017786 /nfs/dbraw/zinc/01/77/86/976017786.db2.gz XPKPUUVPYZSCCE-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1CF)[C@H]1CCCO1 ZINC001334094785 976291922 /nfs/dbraw/zinc/29/19/22/976291922.db2.gz XZKAQBWVLAXZJM-HUUCEWRRSA-N 1 0 247.313 2.427 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1CF)[C@@H]1CCCO1 ZINC001334094783 976297660 /nfs/dbraw/zinc/29/76/60/976297660.db2.gz XZKAQBWVLAXZJM-GJZGRUSLSA-N 1 0 247.313 2.427 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(C)(F)F)[C@@H]1CCCO1 ZINC001334093215 976300206 /nfs/dbraw/zinc/30/02/06/976300206.db2.gz KRQWYTIHKLLKAF-MNOVXSKESA-N 1 0 231.286 2.192 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(C)(F)F)[C@H]1CCCO1 ZINC001334093212 976300697 /nfs/dbraw/zinc/30/06/97/976300697.db2.gz KRQWYTIHKLLKAF-GHMZBOCLSA-N 1 0 231.286 2.192 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H](C)C(C)C ZINC001277314795 976352808 /nfs/dbraw/zinc/35/28/08/976352808.db2.gz RYDYCGWJAIOUCR-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO N#Cc1cncc(Nc2ccc3[nH+]ccn3c2)c1 ZINC001174276413 976509482 /nfs/dbraw/zinc/50/94/82/976509482.db2.gz YLLWRCFZYARXSL-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1CC ZINC001353407128 1170005823 /nfs/dbraw/zinc/00/58/23/1170005823.db2.gz YVLKFQVWVSAWGG-RWMBFGLXSA-N 1 0 238.375 2.365 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@@]23CCOC3)CC1 ZINC001334952833 976806241 /nfs/dbraw/zinc/80/62/41/976806241.db2.gz RSYKZWXTXQUWPC-RUXDESIVSA-N 1 0 234.343 2.181 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccc(Cl)nc1C#N ZINC001174536037 976814139 /nfs/dbraw/zinc/81/41/39/976814139.db2.gz IHSPHUMBQTUQJU-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccc(C#N)s1 ZINC001174537968 976824406 /nfs/dbraw/zinc/82/44/06/976824406.db2.gz VHKPWSGGXSFKNI-UHFFFAOYSA-N 1 0 215.281 2.489 20 30 BEEDRO COc1cc(C#N)cc(Nc2cc[nH+]cc2C)c1 ZINC001174539185 976828385 /nfs/dbraw/zinc/82/83/85/976828385.db2.gz WVIXIWMGWGAYMN-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO COc1cc(Nc2cc[nH+]cc2C)ccc1C#N ZINC001174539951 976833051 /nfs/dbraw/zinc/83/30/51/976833051.db2.gz UZFPAMVIZZSESK-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001480515548 1170008992 /nfs/dbraw/zinc/00/89/92/1170008992.db2.gz HQSTXBKBIWAXDZ-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC001335149120 976867418 /nfs/dbraw/zinc/86/74/18/976867418.db2.gz BNEPNCWZDAOMMN-AWEZNQCLSA-N 1 0 247.338 2.302 20 30 BEEDRO Cc1cc(Nc2sccc2C#N)cc[nH+]1 ZINC001174652203 976932953 /nfs/dbraw/zinc/93/29/53/976932953.db2.gz SANISPWAYXLURY-UHFFFAOYSA-N 1 0 215.281 2.489 20 30 BEEDRO Cc1cnc(C#N)c(Nc2cc[nH+]c(C)c2)c1 ZINC001174653111 976939630 /nfs/dbraw/zinc/93/96/30/976939630.db2.gz BLHCQBRZKKBDDC-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cc(Nc2ccsc2C#N)cc[nH+]1 ZINC001174654173 976942929 /nfs/dbraw/zinc/94/29/29/976942929.db2.gz UFRJJCMWRKYTRK-UHFFFAOYSA-N 1 0 215.281 2.489 20 30 BEEDRO Cc1cc(Nc2ccc(O)cc2C#N)cc[nH+]1 ZINC001174656009 976949501 /nfs/dbraw/zinc/94/95/01/976949501.db2.gz BVKFNPRUJDXJPZ-UHFFFAOYSA-N 1 0 225.251 2.133 20 30 BEEDRO Cc1cc(Nc2cc(C#N)ccc2O)cc[nH+]1 ZINC001174657434 976951797 /nfs/dbraw/zinc/95/17/97/976951797.db2.gz VRCPQFUIMLMNCX-UHFFFAOYSA-N 1 0 225.251 2.133 20 30 BEEDRO COc1cc(C#N)cc(Nc2cc[nH+]c(C)c2)c1 ZINC001174657668 976952172 /nfs/dbraw/zinc/95/21/72/976952172.db2.gz MAPPKMGTCMDDOO-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001335350115 976977707 /nfs/dbraw/zinc/97/77/07/976977707.db2.gz CGXHYYKIKSKQKF-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C#CC[N@@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001354698692 1170014049 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ZINC001230515999 977227550 /nfs/dbraw/zinc/22/75/50/977227550.db2.gz NHLSKYYBTJOSCX-RNCFNFMXSA-N 1 0 241.294 2.326 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1ccc(CC)cc1 ZINC001175086172 977261980 /nfs/dbraw/zinc/26/19/80/977261980.db2.gz YOFFJLGPCIWLBQ-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cncc(C#N)c1 ZINC000721558791 977271202 /nfs/dbraw/zinc/27/12/02/977271202.db2.gz JNSGMYSHAKQTHO-QMMMGPOBSA-N 1 0 243.232 2.384 20 30 BEEDRO C=C(C)CCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC001335772642 977273299 /nfs/dbraw/zinc/27/32/99/977273299.db2.gz HREPALFHGJNXKF-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(/C)C1CC1 ZINC001230949007 977393007 /nfs/dbraw/zinc/39/30/07/977393007.db2.gz SJZZUUPADYPUAP-GAJOTYCWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCCC ZINC001231176927 977512622 /nfs/dbraw/zinc/51/26/22/977512622.db2.gz ASBMNOXDWGJAQX-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)CCC ZINC001231224360 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977711747 /nfs/dbraw/zinc/71/17/47/977711747.db2.gz SUGIEPBUZPUADH-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C#Cc1ccc(NC2CC[NH+](CC=C)CC2)nc1 ZINC001336503597 977730971 /nfs/dbraw/zinc/73/09/71/977730971.db2.gz PBADMIJLBMIWHP-UHFFFAOYSA-N 1 0 241.338 2.125 20 30 BEEDRO CN(CCC#N)c1ccc(C[NH+]2CC=CC2)cc1 ZINC001231819174 977758371 /nfs/dbraw/zinc/75/83/71/977758371.db2.gz YHVKNGOFHLJZSG-UHFFFAOYSA-N 1 0 241.338 2.408 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001231974278 977819726 /nfs/dbraw/zinc/81/97/26/977819726.db2.gz ZUEIESLSNVHLIN-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO Cc1cnc(C#N)c(Nc2ccc(C[NH3+])cc2)c1 ZINC001175966253 977836175 /nfs/dbraw/zinc/83/61/75/977836175.db2.gz KXTLWIIBBPATHJ-UHFFFAOYSA-N 1 0 238.294 2.464 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2cccc(OC)c12 ZINC001232037593 977863893 /nfs/dbraw/zinc/86/38/93/977863893.db2.gz YOGKKEUADVBVQY-UHFFFAOYSA-N 1 0 228.295 2.242 20 30 BEEDRO SC1CC[NH+](Cc2cc3ncccc3[nH]2)CC1 ZINC001232064991 977878035 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978152707 /nfs/dbraw/zinc/15/27/07/978152707.db2.gz KOPNNULSKLQBCN-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCO[C@@H](C)C#N ZINC001176771340 978183056 /nfs/dbraw/zinc/18/30/56/978183056.db2.gz JWFMCZALTPFSIE-QWHCGFSZSA-N 1 0 222.332 2.346 20 30 BEEDRO Cn1ccc(C[N@H+](C)CC2CCC(C#N)CC2)n1 ZINC001176887462 978236701 /nfs/dbraw/zinc/23/67/01/978236701.db2.gz RUVIQBJJAPINKZ-UHFFFAOYSA-N 1 0 246.358 2.182 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccnc(C(=O)OC)c1 ZINC001232772595 978264487 /nfs/dbraw/zinc/26/44/87/978264487.db2.gz XLJNAFDIHNDBRV-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OCCC[NH+](C)C ZINC001206296860 978317799 /nfs/dbraw/zinc/31/77/99/978317799.db2.gz QVNASVFOKYIJNG-GFCCVEGCSA-N 1 0 227.424 2.224 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCCCC23CC3)n1 ZINC001232925945 978341336 /nfs/dbraw/zinc/34/13/36/978341336.db2.gz UEKFGKGSYTVJRA-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC(F)F)nc1 ZINC001232956380 978360233 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978657746 /nfs/dbraw/zinc/65/77/46/978657746.db2.gz MJOGJAOQOUWJTK-OLZOCXBDSA-N 1 0 239.359 2.221 20 30 BEEDRO C#CC[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000068989880 978688414 /nfs/dbraw/zinc/68/84/14/978688414.db2.gz RIOCSBUGGMVWLA-JTQLQIEISA-N 1 0 207.704 2.494 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC[C@H](CC=C)C2)C1 ZINC001179579238 978726222 /nfs/dbraw/zinc/72/62/22/978726222.db2.gz NQIYSSIQOYXQEE-JYJNAYRXSA-N 1 0 246.398 2.418 20 30 BEEDRO C#Cc1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC001233966071 978740961 /nfs/dbraw/zinc/74/09/61/978740961.db2.gz POSDVANOSWRWGE-CQSZACIVSA-N 1 0 244.338 2.315 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)/C(C)=C/C ZINC001277832473 978779414 /nfs/dbraw/zinc/77/94/14/978779414.db2.gz SWDWACSFQOXNHI-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO CC[C@H](CNc1ccc(C#N)nc1)[NH+]1CCCC1 ZINC001339533617 978866006 /nfs/dbraw/zinc/86/60/06/978866006.db2.gz MMCGJOZHLZJPPI-CQSZACIVSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCCCCCCNc1nccnc1C[NH3+] ZINC001339722451 978898221 /nfs/dbraw/zinc/89/82/21/978898221.db2.gz SPEIZJOJQHDBHN-UHFFFAOYSA-N 1 0 234.347 2.484 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](Oc2ccccc2C=NO)C1 ZINC001234818530 978905622 /nfs/dbraw/zinc/90/56/22/978905622.db2.gz AROHCYCDUBTFLZ-ZDUSSCGKSA-N 1 0 248.326 2.356 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@]1(C)CCCCO1 ZINC001180698198 978930597 /nfs/dbraw/zinc/93/05/97/978930597.db2.gz PAJZMMXBOIKKBW-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[NH+](CC=C)Cc1c[nH]c(C(=O)OCC)c1 ZINC001234948103 978937142 /nfs/dbraw/zinc/93/71/42/978937142.db2.gz AEFWGEYMNMBWEO-UHFFFAOYSA-N 1 0 248.326 2.365 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001180855227 978954525 /nfs/dbraw/zinc/95/45/25/978954525.db2.gz KYPQPRZUNVFGHM-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCCCCN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235072791 978968763 /nfs/dbraw/zinc/96/87/63/978968763.db2.gz LMWCEYTVGXDRSQ-CHWSQXEVSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001180948324 978969268 /nfs/dbraw/zinc/96/92/68/978969268.db2.gz AUZVGBBCNNTWGV-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[C@]3([NH3+])C2)CC1 ZINC001235146940 978980559 /nfs/dbraw/zinc/98/05/59/978980559.db2.gz ONMSSIFTZISPCW-ILXRZTDVSA-N 1 0 232.371 2.322 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C(C)C)C1 ZINC001181006956 978980872 /nfs/dbraw/zinc/98/08/72/978980872.db2.gz XWHXJDDWSYXDNC-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCCCC)C1 ZINC001181012640 978985968 /nfs/dbraw/zinc/98/59/68/978985968.db2.gz PYUMRHWVOJBGMY-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(Br)nc1 ZINC001181043192 978989847 /nfs/dbraw/zinc/98/98/47/978989847.db2.gz KKSKBXOKJQYXKO-UHFFFAOYSA-N 1 0 241.132 2.462 20 30 BEEDRO C=CCCCCCN1CC2(C1)CCC[NH2+]2 ZINC001235199323 978997124 /nfs/dbraw/zinc/99/71/24/978997124.db2.gz YPGBVXOMHUXUPY-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)CC ZINC001277933938 979015004 /nfs/dbraw/zinc/01/50/04/979015004.db2.gz ZWGBFSSKZCJPCK-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCCN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235285473 979017575 /nfs/dbraw/zinc/01/75/75/979017575.db2.gz RZKZESWFNKDXKV-OLZOCXBDSA-N 1 0 208.349 2.169 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC001340473584 979024521 /nfs/dbraw/zinc/02/45/21/979024521.db2.gz YSDVBABDEPOBHX-XQQFMLRXSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)CC1(C)C ZINC001340506930 979030325 /nfs/dbraw/zinc/03/03/25/979030325.db2.gz FDBKRAWOPPQTPT-NEPJUHHUSA-N 1 0 238.375 2.317 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[C@@H](C2)[NH2+]3)CC1 ZINC001235415519 979040368 /nfs/dbraw/zinc/04/03/68/979040368.db2.gz ZEMSTRYUEWWCBP-KFWWJZLASA-N 1 0 232.371 2.335 20 30 BEEDRO C#Cc1cccc(CN2CC[NH2+]C[C@H]2C(C)C)c1 ZINC001235457382 979048009 /nfs/dbraw/zinc/04/80/09/979048009.db2.gz DBOXUZDZMJVKCV-INIZCTEOSA-N 1 0 242.366 2.098 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CC ZINC001277947408 979052377 /nfs/dbraw/zinc/05/23/77/979052377.db2.gz LABMSQUZJFPSMU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235511650 979061193 /nfs/dbraw/zinc/06/11/93/979061193.db2.gz KSHCUBJVDBXAIK-CYBMUJFWSA-N 1 0 244.338 2.221 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC001181371358 979063279 /nfs/dbraw/zinc/06/32/79/979063279.db2.gz ALUTTWJEPUTCAW-DGCLKSJQSA-N 1 0 232.327 2.157 20 30 BEEDRO N#CCc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001235516139 979066963 /nfs/dbraw/zinc/06/69/63/979066963.db2.gz RMNGIIQHNSKMRW-HUUCEWRRSA-N 1 0 242.322 2.116 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235523209 979067250 /nfs/dbraw/zinc/06/72/50/979067250.db2.gz NKJSVVPOTQQXQY-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530237 979071420 /nfs/dbraw/zinc/07/14/20/979071420.db2.gz TWVGLMXBKJVYLA-IUODEOHRSA-N 1 0 244.338 2.098 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001340755626 979094357 /nfs/dbraw/zinc/09/43/57/979094357.db2.gz SCVIGIRDWKREJD-UPJWGTAASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)C(C)C ZINC001277953993 979095710 /nfs/dbraw/zinc/09/57/10/979095710.db2.gz JXCGQMQECUZJLN-OLZOCXBDSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CCCN(Cc1ccccc1)C[C@H]1CC[NH2+]1 ZINC001235702500 979127623 /nfs/dbraw/zinc/12/76/23/979127623.db2.gz KYEVVCNHJQRFEU-OAHLLOKOSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001181518316 979159923 /nfs/dbraw/zinc/15/99/23/979159923.db2.gz XQCSDRQMLHHNSN-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cnc(C)c(C)c1 ZINC001340967832 979180934 /nfs/dbraw/zinc/18/09/34/979180934.db2.gz IQHNPCXGQBWRDJ-ZDUSSCGKSA-N 1 0 247.342 2.321 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC(C)(C)/C=C\Cl ZINC001341018645 979196673 /nfs/dbraw/zinc/19/66/73/979196673.db2.gz JHOMNAAWNDENOM-HSTULFTRSA-N 1 0 244.766 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)/C=C\Cl ZINC001341018646 979197507 /nfs/dbraw/zinc/19/75/07/979197507.db2.gz JHOMNAAWNDENOM-QROTZFDESA-N 1 0 244.766 2.317 20 30 BEEDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001341062033 979213053 /nfs/dbraw/zinc/21/30/53/979213053.db2.gz UISBJDCXLBDYQE-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO CCCC[C@H]1CCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001341062035 979214939 /nfs/dbraw/zinc/21/49/39/979214939.db2.gz UISBJDCXLBDYQE-YNEHKIRRSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCOCC[N@@H+](C)CCc1ccc(C)cc1 ZINC001341258983 979303957 /nfs/dbraw/zinc/30/39/57/979303957.db2.gz XPQQPCGJDOJRNO-UHFFFAOYSA-N 1 0 231.339 2.119 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001341377149 979366659 /nfs/dbraw/zinc/36/66/59/979366659.db2.gz URZXPLNHMAHAJG-VHSXEESVSA-N 1 0 249.276 2.440 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001181937022 979375903 /nfs/dbraw/zinc/37/59/03/979375903.db2.gz WIFLNISWSMZPQA-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H]2CCC[C@@H](C1)N2 ZINC001236095646 979385159 /nfs/dbraw/zinc/38/51/59/979385159.db2.gz TYKLUVWNAOFGQW-BETUJISGSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC001341445592 979403211 /nfs/dbraw/zinc/40/32/11/979403211.db2.gz CTTMADVVCMLXSX-OCCSQVGLSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC001341499029 979439069 /nfs/dbraw/zinc/43/90/69/979439069.db2.gz GDXLDVPKVUHGES-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO C#Cc1ccc(CN2CC[NH2+][C@@H](CCC)C2)cc1 ZINC001236179148 979440300 /nfs/dbraw/zinc/44/03/00/979440300.db2.gz SOCWHTRLBKBSKY-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CCOc1ccccc1CN1CC([NH3+])(CC)C1 ZINC001236185839 979442266 /nfs/dbraw/zinc/44/22/66/979442266.db2.gz XMHFDPXBVJOWQP-UHFFFAOYSA-N 1 0 246.354 2.175 20 30 BEEDRO C#Cc1ccc(CN(C)[C@]2(C)CCC[NH2+]C2)cc1 ZINC001236207459 979449201 /nfs/dbraw/zinc/44/92/01/979449201.db2.gz QBWZKOSCIFGPQV-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CCc1cccc(CN2CCC[C@@H]2C[NH3+])c1O ZINC001236245865 979467883 /nfs/dbraw/zinc/46/78/83/979467883.db2.gz RSPNMWOOITXABI-CQSZACIVSA-N 1 0 246.354 2.044 20 30 BEEDRO CCc1cc(CN2CCC[C@@H]2C[NH3+])ccc1C#N ZINC001236252021 979470737 /nfs/dbraw/zinc/47/07/37/979470737.db2.gz CDPYHUKTJKJVQO-OAHLLOKOSA-N 1 0 243.354 2.044 20 30 BEEDRO CCCCCCCN(CCOC)[C@H]1CC[NH2+]C1 ZINC001236334403 979535279 /nfs/dbraw/zinc/53/52/79/979535279.db2.gz PEALJNGHJVIBHW-AWEZNQCLSA-N 1 0 242.407 2.267 20 30 BEEDRO N#CCc1ccc(-c2cccc3c2CC[NH2+]C3)cn1 ZINC001236355407 979550658 /nfs/dbraw/zinc/55/06/58/979550658.db2.gz WIXFUVZADJOEHK-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#CCc1cncc(-c2cccc3c2CC[NH2+]C3)c1 ZINC001236353075 979551977 /nfs/dbraw/zinc/55/19/77/979551977.db2.gz MPDNLSJZTZZSAP-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](F)C1 ZINC001342009483 979618500 /nfs/dbraw/zinc/61/85/00/979618500.db2.gz VSFFIPHIKJXPNM-TUAOUCFPSA-N 1 0 242.338 2.067 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC001203189472 979665550 /nfs/dbraw/zinc/66/55/50/979665550.db2.gz YRQKIIDXAPQRKO-CYBMUJFWSA-N 1 0 244.338 2.305 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC001182893377 979674221 /nfs/dbraw/zinc/67/42/21/979674221.db2.gz HSHVFYAQAVABDX-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1cccc(F)c1Nc1cc[nH+]c(N)c1 ZINC001206550458 979698687 /nfs/dbraw/zinc/69/86/87/979698687.db2.gz NTDDNBCTNHQRNP-UHFFFAOYSA-N 1 0 228.230 2.418 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(F)c(O)c2)C1 ZINC001236711739 979701484 /nfs/dbraw/zinc/70/14/84/979701484.db2.gz VDJOUGBYMDWDBU-NSHDSACASA-N 1 0 233.286 2.377 20 30 BEEDRO C=CCC1(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CCCC1 ZINC001342230441 979720836 /nfs/dbraw/zinc/72/08/36/979720836.db2.gz DSZLJGJOCPYFFO-YNEHKIRRSA-N 1 0 248.370 2.132 20 30 BEEDRO C#CC[NH+](CC#C)Cc1ccc(CC)cc1O ZINC001236786320 979735018 /nfs/dbraw/zinc/73/50/18/979735018.db2.gz APARTQGOWWORIB-UHFFFAOYSA-N 1 0 227.307 2.023 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1 ZINC001183103055 979735124 /nfs/dbraw/zinc/73/51/24/979735124.db2.gz IXAIAUCDTSCDSH-MGPQQGTHSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC001342455711 979806122 /nfs/dbraw/zinc/80/61/22/979806122.db2.gz QUQGXGCODLVXLF-CHWSQXEVSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CCCC[NH2+]C ZINC001342457029 979807163 /nfs/dbraw/zinc/80/71/63/979807163.db2.gz YGYKMYRDILNECN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccnc2c(OC)cccc12 ZINC001237118526 979821230 /nfs/dbraw/zinc/82/12/30/979821230.db2.gz YLCQIDFDVKBADX-UHFFFAOYSA-N 1 0 240.306 2.308 20 30 BEEDRO CCCCCCCCN1C[C@@H]([NH3+])C2(COC2)C1 ZINC001237172211 979827983 /nfs/dbraw/zinc/82/79/83/979827983.db2.gz DQMAHLJDWUSHIS-CYBMUJFWSA-N 1 0 240.391 2.006 20 30 BEEDRO C=CC[NH2+]CCN(C)[C@H]1CCc2ccccc21 ZINC001237258826 979856125 /nfs/dbraw/zinc/85/61/25/979856125.db2.gz OXKQCOJPJROCEB-HNNXBMFYSA-N 1 0 230.355 2.381 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](C)n1ccnc1 ZINC001342692643 979869080 /nfs/dbraw/zinc/86/90/80/979869080.db2.gz PDNZDBHLWQNTQI-LBPRGKRZSA-N 1 0 235.331 2.259 20 30 BEEDRO C=C[C@H](COC)[NH2+]CC1=Cc2ccccc2OC1 ZINC001342727521 979878918 /nfs/dbraw/zinc/87/89/18/979878918.db2.gz IXWLDSCVPQQQGO-CQSZACIVSA-N 1 0 245.322 2.253 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@](C)([NH3+])CC2)cc1 ZINC001205281050 979881992 /nfs/dbraw/zinc/88/19/92/979881992.db2.gz OUQYGDPHOMUALE-MRXNPFEDSA-N 1 0 242.366 2.371 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC001183800783 979887129 /nfs/dbraw/zinc/88/71/29/979887129.db2.gz PIRPHCZMIWTREY-UONOGXRCSA-N 1 0 236.403 2.498 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCC[C@H](F)CC2)ccn1 ZINC001237458707 979897427 /nfs/dbraw/zinc/89/74/27/979897427.db2.gz BFCHHZFAZGBQFU-LBPRGKRZSA-N 1 0 233.290 2.277 20 30 BEEDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](C#N)C1 ZINC001237488192 979915126 /nfs/dbraw/zinc/91/51/26/979915126.db2.gz SEWIVQGYTQGETL-LLVKDONJSA-N 1 0 216.284 2.046 20 30 BEEDRO CCn1cncc1C[NH+]1CCC(CC#N)CC1 ZINC001237591695 979949911 /nfs/dbraw/zinc/94/99/11/979949911.db2.gz YDHFDAWMLKTMNP-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC001343010320 979976856 /nfs/dbraw/zinc/97/68/56/979976856.db2.gz INCSHYGPUNUYEU-NEPJUHHUSA-N 1 0 238.375 2.175 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cnccn1 ZINC001184314190 979999380 /nfs/dbraw/zinc/99/93/80/979999380.db2.gz HZWHQQRCCSIGSU-UHFFFAOYSA-N 1 0 217.316 2.150 20 30 BEEDRO CC1=CC[C@H]([NH2+]CC2(C#N)CCOCC2)CC1 ZINC001184278851 980010952 /nfs/dbraw/zinc/01/09/52/980010952.db2.gz VZLPALYOLPHSBN-ZDUSSCGKSA-N 1 0 234.343 2.395 20 30 BEEDRO C[C@@H](CC1CCC1)[NH2+]CC1(C#N)CCOCC1 ZINC001184279128 980011358 /nfs/dbraw/zinc/01/13/58/980011358.db2.gz XLTIOJGGPSAFKB-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](CC(C)C)[NH2+]C ZINC001343121596 980013829 /nfs/dbraw/zinc/01/38/29/980013829.db2.gz CHKFBJODYSZKDY-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC001343122470 980016122 /nfs/dbraw/zinc/01/61/22/980016122.db2.gz GEIXHRHPOFWRAV-QWHCGFSZSA-N 1 0 240.391 2.421 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC1(CC)CCC1 ZINC001343277196 980053298 /nfs/dbraw/zinc/05/32/98/980053298.db2.gz FELBZAUECHZQDD-NSHDSACASA-N 1 0 224.348 2.119 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(F)c(C)n2)CC1 ZINC001237819850 980066209 /nfs/dbraw/zinc/06/62/09/980066209.db2.gz HAAXEQLTMLTMAD-UHFFFAOYSA-N 1 0 232.302 2.374 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C)ccn1 ZINC001343338569 980072532 /nfs/dbraw/zinc/07/25/32/980072532.db2.gz CEKSJWNUAVFXMF-NSHDSACASA-N 1 0 233.315 2.012 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccnc1N(C)C)C(C)(C)C ZINC001343369195 980083102 /nfs/dbraw/zinc/08/31/02/980083102.db2.gz WJZZIBXNEXJZHC-ZDUSSCGKSA-N 1 0 245.370 2.285 20 30 BEEDRO C=CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001343432836 980107463 /nfs/dbraw/zinc/10/74/63/980107463.db2.gz JGKHCXSATDVPOA-UHFFFAOYSA-N 1 0 243.310 2.291 20 30 BEEDRO C=C(C)CC[N@@H+](CC)[C@H](C)CNC(=O)C(F)F ZINC001151461244 980187717 /nfs/dbraw/zinc/18/77/17/980187717.db2.gz KZQLAUXVKLRXJY-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCOC[C@H](O)C[NH+](CC(C)C)CC(C)C ZINC000005715888 980214833 /nfs/dbraw/zinc/21/48/33/980214833.db2.gz GSTAOJZKPAMUHZ-CQSZACIVSA-N 1 0 243.391 2.164 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH2+]CCC=C)C1 ZINC001185313871 980217629 /nfs/dbraw/zinc/21/76/29/980217629.db2.gz PNMBHZIPGUPQAK-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001185408361 980223772 /nfs/dbraw/zinc/22/37/72/980223772.db2.gz PZLRMDMHSSZXAZ-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001343745681 980232613 /nfs/dbraw/zinc/23/26/13/980232613.db2.gz QOBPPWRHCIXQSK-CHWSQXEVSA-N 1 0 237.343 2.204 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CCO[C@H](C)C1 ZINC001343959317 980294955 /nfs/dbraw/zinc/29/49/55/980294955.db2.gz GGDXDCJZPYCXFP-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC[C@H](C)CC ZINC001343987589 980307564 /nfs/dbraw/zinc/30/75/64/980307564.db2.gz UOTQSBQOKCPRLR-VXGBXAGGSA-N 1 0 226.364 2.222 20 30 BEEDRO CCc1cc(C[N@H+](C)[C@H]2CCOC2)ccc1C#N ZINC001238771462 980322841 /nfs/dbraw/zinc/32/28/41/980322841.db2.gz FSMKGZVZCKVFIN-HNNXBMFYSA-N 1 0 244.338 2.341 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(F)F ZINC001151548487 980360740 /nfs/dbraw/zinc/36/07/40/980360740.db2.gz KQKNDTXIUZCCJA-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO Cc1cc(C)c(C#N)c(C2=CCC[NH2+]CC2)n1 ZINC001238933295 980371354 /nfs/dbraw/zinc/37/13/54/980371354.db2.gz JDKSRVGLTBESPD-UHFFFAOYSA-N 1 0 227.311 2.337 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC001344422029 980392004 /nfs/dbraw/zinc/39/20/04/980392004.db2.gz PTSCNQRNTAITMN-DGCLKSJQSA-N 1 0 238.375 2.365 20 30 BEEDRO CC(C)c1noc(CC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC001344580682 980437023 /nfs/dbraw/zinc/43/70/23/980437023.db2.gz QPIMLHAAPRNCIX-QWRGUYRKSA-N 1 0 248.330 2.017 20 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C[NH+](C)[C@H]1CCCC[C@H]1Nc1cc(C#N)ccn1 ZINC001346045442 980737228 /nfs/dbraw/zinc/73/72/28/980737228.db2.gz WOBXSUBDCWFDDM-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2cc[nH]c2)CC1 ZINC000272490624 980739349 /nfs/dbraw/zinc/73/93/49/980739349.db2.gz DTEZSJKUJJOUGR-UHFFFAOYSA-N 1 0 203.289 2.140 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001189168443 980759031 /nfs/dbraw/zinc/75/90/31/980759031.db2.gz BNWBMRARIIUJEF-OTAKNEKHSA-N 1 0 236.359 2.061 20 30 BEEDRO N#Cc1cccnc1Nc1ccc2c[nH+]cn2c1 ZINC001250324166 980765442 /nfs/dbraw/zinc/76/54/42/980765442.db2.gz PTRFSMDIXDWZKO-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001189462453 980795888 /nfs/dbraw/zinc/79/58/88/980795888.db2.gz WBVMLLNWAFJPBD-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC001346351940 980816905 /nfs/dbraw/zinc/81/69/05/980816905.db2.gz AQYHXBHXNDKKFD-TUAOUCFPSA-N 1 0 242.338 2.157 20 30 BEEDRO C=C/C(=N\COC)c1ccccc1C[NH+](C)C ZINC001239683621 980840532 /nfs/dbraw/zinc/84/05/32/980840532.db2.gz UQHKUZOOMTUYFY-CCEZHUSRSA-N 1 0 232.327 2.327 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001189997007 980841344 /nfs/dbraw/zinc/84/13/44/980841344.db2.gz XNLREUHMSXYFGP-KXXVWKPMSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC001346831265 980917149 /nfs/dbraw/zinc/91/71/49/980917149.db2.gz LGDYHNXXJUDHPR-CYBMUJFWSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC001347016781 980947849 /nfs/dbraw/zinc/94/78/49/980947849.db2.gz RGRYCKPTPYRDJZ-CHWSQXEVSA-N 1 0 238.375 2.140 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(C#N)ccn1 ZINC001191172807 980989092 /nfs/dbraw/zinc/98/90/92/980989092.db2.gz AGVCLNZWQIWYQD-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1c(F)cc(-c2cc(N)cc[nH+]2)cc1F ZINC001239913556 981033162 /nfs/dbraw/zinc/03/31/62/981033162.db2.gz VHKNTJAEDZUHDR-UHFFFAOYSA-N 1 0 231.205 2.481 20 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N#Cc1nccc2cc(C3=CC[NH2+]CC3)ccc21 ZINC001240469879 981407169 /nfs/dbraw/zinc/40/71/69/981407169.db2.gz OCHMISAGNGMADI-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C#N)ccn1 ZINC001193785336 981437611 /nfs/dbraw/zinc/43/76/11/981437611.db2.gz NTGJFPJDJXINIW-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCc1cc(C)cnc1C1=CCC[NH2+]C1 ZINC001240652920 981565480 /nfs/dbraw/zinc/56/54/80/981565480.db2.gz JDGOQDDVQOLBSE-UHFFFAOYSA-N 1 0 214.312 2.495 20 30 BEEDRO Cc1cc(CC#N)ccc1C1=CCC[NH2+]C1 ZINC001240670245 981579780 /nfs/dbraw/zinc/57/97/80/981579780.db2.gz ZVKVHRWECXXVBV-UHFFFAOYSA-N 1 0 212.296 2.438 20 30 BEEDRO C=CCOC(=O)N(C(C)C)C1CC[NH+](C)CC1 ZINC001194312066 981660622 /nfs/dbraw/zinc/66/06/22/981660622.db2.gz AMESWFGQOSEXJE-UHFFFAOYSA-N 1 0 240.347 2.114 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC001349798661 981743168 /nfs/dbraw/zinc/74/31/68/981743168.db2.gz LXWPQLDDWCDFAU-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCOC(=O)N[C@H]1CC[N@@H+](C(CC)CC)C1 ZINC001194343534 981780758 /nfs/dbraw/zinc/78/07/58/981780758.db2.gz XZLZZBRSYVNOJL-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO N#Cc1cc2nc(C=C3CC[NH2+]CC3)ccc2[nH]1 ZINC001240873849 981916116 /nfs/dbraw/zinc/91/61/16/981916116.db2.gz JITDKBALTJRVJP-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO CCC[C@H](C)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC001350330374 981932185 /nfs/dbraw/zinc/93/21/85/981932185.db2.gz VAJVNUJXPRUUGG-BFHYXJOUSA-N 1 0 237.391 2.341 20 30 BEEDRO COc1c(C=C2CC[NH2+]CC2)ccc(F)c1C#N ZINC001240879277 981935645 /nfs/dbraw/zinc/93/56/45/981935645.db2.gz NOFPDMSAWQMEAS-UHFFFAOYSA-N 1 0 246.285 2.473 20 30 BEEDRO N#Cc1c[nH]c2cc(C=C3CC[NH2+]CC3)cnc12 ZINC001240879015 981935807 /nfs/dbraw/zinc/93/58/07/981935807.db2.gz ZVZBJSJJDUJLJM-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C=C(CC)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC001350814364 982094950 /nfs/dbraw/zinc/09/49/50/982094950.db2.gz ILBRWRLGMUTMLX-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000079828392 982148608 /nfs/dbraw/zinc/14/86/08/982148608.db2.gz XGVYBDYOFBUBKI-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO N#Cc1cc(-c2[nH+]ccc3[nH]ccc32)ccn1 ZINC001241177781 982328907 /nfs/dbraw/zinc/32/89/07/982328907.db2.gz WBTUCUWGLSTPQC-UHFFFAOYSA-N 1 0 220.235 2.497 20 30 BEEDRO C=CC1CC[NH+](Cc2c3c(nn2C)CCC3)CC1 ZINC001351961305 982414425 /nfs/dbraw/zinc/41/44/25/982414425.db2.gz OWJHDGUYHIUZKG-UHFFFAOYSA-N 1 0 245.370 2.307 20 30 BEEDRO C[N@H+]1CC=C(c2cccc(CC#N)c2)CC1 ZINC001241319517 982472682 /nfs/dbraw/zinc/47/26/82/982472682.db2.gz MGEXRYXYHHXMKP-UHFFFAOYSA-N 1 0 212.296 2.472 20 30 BEEDRO C[N@H+]1CC=C(c2cc(CC#N)cnc2F)CC1 ZINC001241332423 982495897 /nfs/dbraw/zinc/49/58/97/982495897.db2.gz HINJZXGCAOCZQZ-UHFFFAOYSA-N 1 0 231.274 2.006 20 30 BEEDRO C[N@H+]1CC=C(c2ccccc2C=NO)CC1 ZINC001241333067 982501245 /nfs/dbraw/zinc/50/12/45/982501245.db2.gz QTKSUJDSBYAFKY-UHFFFAOYSA-N 1 0 216.284 2.214 20 30 BEEDRO COc1cc(C#N)ccc1-c1cc(C[NH3+])ccn1 ZINC001241386818 982541625 /nfs/dbraw/zinc/54/16/25/982541625.db2.gz XEHGFGCTZIGVMD-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2ccccc2C#N)C1 ZINC001205805269 982567070 /nfs/dbraw/zinc/56/70/70/982567070.db2.gz QAHGNXRULIVICF-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203882555 982588229 /nfs/dbraw/zinc/58/82/29/982588229.db2.gz LFZGFSNTADGGOH-UHFFFAOYSA-N 1 0 246.310 2.223 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)c1ccccc1C ZINC001480418538 982591752 /nfs/dbraw/zinc/59/17/52/982591752.db2.gz MQXRVTPKSKJJEP-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC001352862005 982608075 /nfs/dbraw/zinc/60/80/75/982608075.db2.gz LAAFLGDHKNXJON-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO COc1ccc(CC[NH2+]C[C@@H](C)CCC#N)cn1 ZINC001352879656 982617563 /nfs/dbraw/zinc/61/75/63/982617563.db2.gz XXAJNZFQAJWRJJ-LBPRGKRZSA-N 1 0 247.342 2.162 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C1CCCCCC1 ZINC001480433700 982665321 /nfs/dbraw/zinc/66/53/21/982665321.db2.gz VPYYXEXLDRDJBR-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)C2CC=CC2)C1 ZINC001100211039 982676060 /nfs/dbraw/zinc/67/60/60/982676060.db2.gz ZBIOTIJWSOYHGH-UHFFFAOYSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)/C(C)=C/C ZINC001480442207 982683787 /nfs/dbraw/zinc/68/37/87/982683787.db2.gz QPNHPOAZLDLSLG-BCMYLCSRSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1Cc1ncccn1 ZINC001198414401 982708669 /nfs/dbraw/zinc/70/86/69/982708669.db2.gz QBWROPCPNMJEMC-LBPRGKRZSA-N 1 0 217.316 2.407 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001353185297 982752074 /nfs/dbraw/zinc/75/20/74/982752074.db2.gz KGCDUUFPFVQAOA-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001353244981 982800490 /nfs/dbraw/zinc/80/04/90/982800490.db2.gz AYSLTGPPIMVJNX-MMWGEVLESA-N 1 0 239.269 2.063 20 30 BEEDRO C#CCC[N@H+]1C[C@@H](N2CCCC2)C[C@@H]1C(C)C ZINC001198623349 982826124 /nfs/dbraw/zinc/82/61/24/982826124.db2.gz PLEJPQLQXMIJRW-LSDHHAIUSA-N 1 0 234.387 2.204 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC001353312743 982831877 /nfs/dbraw/zinc/83/18/77/982831877.db2.gz BJMWSZPYNBHCFB-CFVMTHIKSA-N 1 0 249.354 2.025 20 30 BEEDRO Cn1cncc1C1CC[NH+](CCCCC#N)CC1 ZINC001198768424 982832878 /nfs/dbraw/zinc/83/28/78/982832878.db2.gz HJZZSVUUFWRKJZ-UHFFFAOYSA-N 1 0 246.358 2.293 20 30 BEEDRO CCc1nc(C)c(C[NH+]2CCC(CC#N)CC2)[nH]1 ZINC001203243868 982833665 /nfs/dbraw/zinc/83/36/65/982833665.db2.gz PGOLKJIDBWSWMP-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)C(C)(C)C ZINC001353350413 982845313 /nfs/dbraw/zinc/84/53/13/982845313.db2.gz CSJNBWCXFPFZFF-LSDHHAIUSA-N 1 0 245.366 2.228 20 30 BEEDRO C=C(CC)C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001353371033 982849601 /nfs/dbraw/zinc/84/96/01/982849601.db2.gz UNZOOHUJKXEQAL-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO SCc1ccc(-c2cnn(C3C[NH2+]C3)c2)cc1 ZINC001241614939 982850091 /nfs/dbraw/zinc/85/00/91/982850091.db2.gz MUNNBBSEEPTQBA-UHFFFAOYSA-N 1 0 245.351 2.124 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1[C@H](C)CC[C@@H]1C ZINC001353419229 982858191 /nfs/dbraw/zinc/85/81/91/982858191.db2.gz IUQMRRZADUOJBB-GRYCIOLGSA-N 1 0 224.348 2.069 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC001198882619 982874671 /nfs/dbraw/zinc/87/46/71/982874671.db2.gz OFDKMRKOUDBFGJ-LSDHHAIUSA-N 1 0 243.354 2.277 20 30 BEEDRO C=C/C(C)=C\CC(=O)NC[C@@H](C)[NH2+]CC(=C)C ZINC001480520121 982891975 /nfs/dbraw/zinc/89/19/75/982891975.db2.gz KDNCIDWLFCOACC-FFXRNRBCSA-N 1 0 236.359 2.179 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)CCCC)CC1 ZINC001199380028 982921491 /nfs/dbraw/zinc/92/14/91/982921491.db2.gz IEXZPSRCDLZSSN-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)/C(C)=C/C ZINC001152666827 982964154 /nfs/dbraw/zinc/96/41/54/982964154.db2.gz ZSOWUAMRGKXHLQ-BWODNOAJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)CCC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC001353702589 982976273 /nfs/dbraw/zinc/97/62/73/982976273.db2.gz YWTIJUUZSGYYMK-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC(=O)N1CCC([NH2+]CC(C)C)CC1 ZINC001199707369 982983470 /nfs/dbraw/zinc/98/34/70/982983470.db2.gz WFSJAASTVAFWNK-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(-c2ccc(C[NH3+])cc2)nc1F ZINC001241911515 983125393 /nfs/dbraw/zinc/12/53/93/983125393.db2.gz VCEFCIZOOJUWDK-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO Cc1c(C#N)ccnc1-c1ccc(C[NH3+])cc1 ZINC001241911857 983128195 /nfs/dbraw/zinc/12/81/95/983128195.db2.gz QDHOIAUFAMTFMD-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO N#CCOc1ccc(-c2ccc(C[NH3+])cc2)nc1 ZINC001241912976 983131235 /nfs/dbraw/zinc/13/12/35/983131235.db2.gz LFVMNGGEBJWKPZ-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)/C=C(\C)C1CC1 ZINC001273878827 983131551 /nfs/dbraw/zinc/13/15/51/983131551.db2.gz GDGVYHJGIHHFJO-GNPUEAEQSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(-c2ccccn2)n[nH]1 ZINC001201407052 983202260 /nfs/dbraw/zinc/20/22/60/983202260.db2.gz IVOGXUYZZBRTLL-JTQLQIEISA-N 1 0 228.299 2.136 20 30 BEEDRO Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C#N ZINC001242020362 983228459 /nfs/dbraw/zinc/22/84/59/983228459.db2.gz PFPKVRHWVWWGLX-NEPJUHHUSA-N 1 0 225.295 2.169 20 30 BEEDRO Cc1c(C#N)ccnc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020308 983229010 /nfs/dbraw/zinc/22/90/10/983229010.db2.gz MBUHITRUJASTKA-OLZOCXBDSA-N 1 0 225.295 2.169 20 30 BEEDRO C=CC(C)(C)C(=O)NCC1CC([NH2+]CCC)C1 ZINC001100570137 983307595 /nfs/dbraw/zinc/30/75/95/983307595.db2.gz FNQBBMGWKXGYHO-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1C(=O)OCC ZINC001354721075 983346537 /nfs/dbraw/zinc/34/65/37/983346537.db2.gz AMMUNGJTUMIJMY-RWMBFGLXSA-N 1 0 237.343 2.226 20 30 BEEDRO N#CCC1C[NH+](CCc2ccccc2)C1 ZINC001201589973 983349594 /nfs/dbraw/zinc/34/95/94/983349594.db2.gz CZZIPFKNACDOBI-UHFFFAOYSA-N 1 0 200.285 2.075 20 30 BEEDRO C=CC[NH2+]C1CC(CNC(=O)C2(C)CC(=C)C2)C1 ZINC001100661288 983363331 /nfs/dbraw/zinc/36/33/31/983363331.db2.gz LRNVEKOCHYWCIT-UHFFFAOYSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)CCC(=C)C)CC1 ZINC001200815452 983382980 /nfs/dbraw/zinc/38/29/80/983382980.db2.gz GLLMCWVFFKYMNL-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO N#CCC1C[NH+](CCCc2ccccc2)C1 ZINC001201653150 983404096 /nfs/dbraw/zinc/40/40/96/983404096.db2.gz VVAILSXNTMKXHA-UHFFFAOYSA-N 1 0 214.312 2.465 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC1CCC(O)CC1 ZINC001355082206 983409741 /nfs/dbraw/zinc/40/97/41/983409741.db2.gz UUQFLUMFBQVLIB-OTTFEQOBSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCOC(=O)N[C@H]1CCC[N@@H+](CCCC)C1 ZINC001201722586 983426914 /nfs/dbraw/zinc/42/69/14/983426914.db2.gz BZXOPUNVHXYWIX-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC001355197519 983447000 /nfs/dbraw/zinc/44/70/00/983447000.db2.gz YUKGDQCKBMRCEF-MRXNPFEDSA-N 1 0 241.334 2.315 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@]2(CCNC2=O)C1 ZINC001201762872 983471647 /nfs/dbraw/zinc/47/16/47/983471647.db2.gz YDXNBHLCYYVTTH-CQSZACIVSA-N 1 0 238.375 2.169 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc2nccn21 ZINC001201856881 983487374 /nfs/dbraw/zinc/48/73/74/983487374.db2.gz CFLJHFVSRMQOHO-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO C=CCN1CC[C@]2(CCC[N@H+]2[C@@H](C)CC)C1=O ZINC001273926091 983557683 /nfs/dbraw/zinc/55/76/83/983557683.db2.gz VXTRKRDTMHOGRM-GXTWGEPZSA-N 1 0 236.359 2.038 20 30 BEEDRO CCc1nc(C)c(C[N@@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001203247225 983591487 /nfs/dbraw/zinc/59/14/87/983591487.db2.gz WMCNGXKHROGYGN-LBPRGKRZSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CCCCC(=O)N1CCC([NH2+]CCC)CC1 ZINC001202261334 983606793 /nfs/dbraw/zinc/60/67/93/983606793.db2.gz YNQILUQAMGXROH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1cc(-c2cccc(C[NH3+])c2)cnc1C#N ZINC001242355466 983638553 /nfs/dbraw/zinc/63/85/53/983638553.db2.gz NOQDSNGRNDCUIT-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC(C)C)C1 ZINC001488810181 983698067 /nfs/dbraw/zinc/69/80/67/983698067.db2.gz PPNNIHLWUGYCII-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC)C1 ZINC001488892527 983702501 /nfs/dbraw/zinc/70/25/01/983702501.db2.gz HTJORAMJYGVMFI-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC ZINC001489317193 983712128 /nfs/dbraw/zinc/71/21/28/983712128.db2.gz ZJRAGQGOCSONKM-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC(=C)C)C2 ZINC001110607179 983715384 /nfs/dbraw/zinc/71/53/84/983715384.db2.gz HVYOPXBXSVNRBS-MCIONIFRSA-N 1 0 248.370 2.250 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001490433689 983728438 /nfs/dbraw/zinc/72/84/38/983728438.db2.gz BVCCMKCQOGFIIN-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001490555206 983731923 /nfs/dbraw/zinc/73/19/23/983731923.db2.gz CYGQAYSOKKETPX-SVSAJMPUSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCCCN(CC)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC001357514513 983734621 /nfs/dbraw/zinc/73/46/21/983734621.db2.gz GHFWSYQZUTWJAL-RYUDHWBXSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]([NH2+]CCC)C1CC1 ZINC001490692217 983738852 /nfs/dbraw/zinc/73/88/52/983738852.db2.gz CKJFUONGMGKXRY-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C[C@H](C)c1ccccc1 ZINC001252538427 983804866 /nfs/dbraw/zinc/80/48/66/983804866.db2.gz GPPFEQHVGPECSU-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001252548846 983814161 /nfs/dbraw/zinc/81/41/61/983814161.db2.gz WGSOPLRCEXOQAL-GJZGRUSLSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](CC)Cc1cccc(OC)c1 ZINC001252556416 983815669 /nfs/dbraw/zinc/81/56/69/983815669.db2.gz CBCYRVGIIITMLQ-HNNXBMFYSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001252558797 983818111 /nfs/dbraw/zinc/81/81/11/983818111.db2.gz OBKPKGXSDAWCOY-IUODEOHRSA-N 1 0 231.339 2.370 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2occc2c1 ZINC001252574425 983828948 /nfs/dbraw/zinc/82/89/48/983828948.db2.gz OESXNFFHPATTHL-CQSZACIVSA-N 1 0 231.295 2.459 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(F)c(F)c1 ZINC001252575944 983830573 /nfs/dbraw/zinc/83/05/73/983830573.db2.gz FZHIGYMDVWBFSF-CYBMUJFWSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1ccccn1)C(C)C ZINC001252576462 983831697 /nfs/dbraw/zinc/83/16/97/983831697.db2.gz LEELLULCTZDCFY-UONOGXRCSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1c(C)cccc1C ZINC001252577843 983832226 /nfs/dbraw/zinc/83/22/26/983832226.db2.gz NAHJGYNDUAJVGS-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)c1cc(C)ccn1 ZINC001252578042 983833367 /nfs/dbraw/zinc/83/33/67/983833367.db2.gz AXWLRFQYVPTIFD-OAHLLOKOSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001252586340 983836197 /nfs/dbraw/zinc/83/61/97/983836197.db2.gz ZDEWFWMLYUUZKO-DOMZBBRYSA-N 1 0 249.354 2.153 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1CCC(F)CC1 ZINC001252589152 983840707 /nfs/dbraw/zinc/84/07/07/983840707.db2.gz KDJLTQFECNZOFV-MCIGGMRASA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1F ZINC001252612362 983846347 /nfs/dbraw/zinc/84/63/47/983846347.db2.gz LTTIADUYUPVKOG-IJLUTSLNSA-N 1 0 215.312 2.184 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC001252616434 983851567 /nfs/dbraw/zinc/85/15/67/983851567.db2.gz OXFRJPXPBXTQDT-HZPDHXFCSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCC[NH2+]CC1 ZINC001358506747 983881606 /nfs/dbraw/zinc/88/16/06/983881606.db2.gz WWAKPLCWVYZQNK-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1=CCCC1 ZINC001568525075 984014676 /nfs/dbraw/zinc/01/46/76/984014676.db2.gz LUBNITRRERUMBD-ZIAGYGMSSA-N 1 0 248.370 2.157 20 30 BEEDRO CC(C)[C@]1(CO)CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339203938 984023350 /nfs/dbraw/zinc/02/33/50/984023350.db2.gz NEFBRYQEDLMWFF-MGPQQGTHSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001571531424 984034410 /nfs/dbraw/zinc/03/44/10/984034410.db2.gz BUUCTVSVLFXOCT-GXTWGEPZSA-N 1 0 248.370 2.157 20 30 BEEDRO N#CCc1ncccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242674994 984042333 /nfs/dbraw/zinc/04/23/33/984042333.db2.gz BFMLTILJSINGTR-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCN(C)C ZINC001253227407 984045482 /nfs/dbraw/zinc/04/54/82/984045482.db2.gz IPOKIOLONAKRCD-AWEZNQCLSA-N 1 0 242.407 2.025 20 30 BEEDRO N#Cc1cnccc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242675934 984045942 /nfs/dbraw/zinc/04/59/42/984045942.db2.gz NOWNKXVHRJDNDN-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO N#Cc1ccccc1-c1ccc2c(n1)C[NH2+]CC2 ZINC001242715022 984067228 /nfs/dbraw/zinc/06/72/28/984067228.db2.gz ARFDPMHCYLUUSC-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO Cc1c(N)cc[nH+]c1C1=CC(=O)C[C@H](C)C1 ZINC001242736000 984081877 /nfs/dbraw/zinc/08/18/77/984081877.db2.gz DYSJQZSJFZTLTO-MRVPVSSYSA-N 1 0 216.284 2.355 20 30 BEEDRO C=C(C)c1cccc(NC(=O)NC[C@@H](C)C[NH3+])c1 ZINC001574848827 984115807 /nfs/dbraw/zinc/11/58/07/984115807.db2.gz FTDIHRUFUKSUAB-NSHDSACASA-N 1 0 247.342 2.436 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC001574849811 984117582 /nfs/dbraw/zinc/11/75/82/984117582.db2.gz REGYYIFAPZLBBU-STQMWFEESA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(C)c1cccc(NC(=O)NC[C@H](C)C[NH3+])c1 ZINC001574848821 984118183 /nfs/dbraw/zinc/11/81/83/984118183.db2.gz FTDIHRUFUKSUAB-LLVKDONJSA-N 1 0 247.342 2.436 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)c1ccsc1 ZINC001574901515 984120932 /nfs/dbraw/zinc/12/09/32/984120932.db2.gz KWANTCCPVIEPJP-NSHDSACASA-N 1 0 238.356 2.395 20 30 BEEDRO C=CCC1(C(=O)N2CCC23C[NH2+]C3)CCCCC1 ZINC001574892572 984121085 /nfs/dbraw/zinc/12/10/85/984121085.db2.gz GRPSHAABWZGDKC-UHFFFAOYSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(O)(CC=C)CC1 ZINC000717448311 984197402 /nfs/dbraw/zinc/19/74/02/984197402.db2.gz ODNBMTRUYSJTKC-LBPRGKRZSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2cccc(OC)c2o1 ZINC000717520636 984210626 /nfs/dbraw/zinc/21/06/26/984210626.db2.gz DQGSBXQGNVBHOB-LLVKDONJSA-N 1 0 247.294 2.078 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc2ccccc21 ZINC001253565822 984223429 /nfs/dbraw/zinc/22/34/29/984223429.db2.gz SFBAULJNHXUSGJ-CQSZACIVSA-N 1 0 227.307 2.476 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CN(C(C)=O)C[C@H]1C ZINC001274164346 984274439 /nfs/dbraw/zinc/27/44/39/984274439.db2.gz JXILDFGVWVLLCT-OCCSQVGLSA-N 1 0 240.391 2.413 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691395649 984314384 /nfs/dbraw/zinc/31/43/84/984314384.db2.gz ORHDMQJNJSUURP-HOTGVXAUSA-N 1 0 241.334 2.195 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000389362859 984335399 /nfs/dbraw/zinc/33/53/99/984335399.db2.gz TUBKMSYBKDJQOF-NWDGAFQWSA-N 1 0 209.358 2.131 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cnc(F)c(C#N)c2)cc1 ZINC001242992834 984357061 /nfs/dbraw/zinc/35/70/61/984357061.db2.gz XQJMZWUPGSNSGT-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC=CCC1 ZINC001274670816 984360088 /nfs/dbraw/zinc/36/00/88/984360088.db2.gz JHLCRZZMJKJNJZ-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccc(C#N)nc2)c1 ZINC001242997134 984361541 /nfs/dbraw/zinc/36/15/41/984361541.db2.gz GNGDDHSDABRUAV-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[NH2+]CC1CCCC1 ZINC001274700616 984368044 /nfs/dbraw/zinc/36/80/44/984368044.db2.gz DFPKHFBLCDZQTI-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001274767395 984377980 /nfs/dbraw/zinc/37/79/80/984377980.db2.gz NENACPGDTVBDPC-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)CCC ZINC001274901336 984398256 /nfs/dbraw/zinc/39/82/56/984398256.db2.gz YHNSMJAJPZLZLM-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]CCC ZINC001274913570 984407109 /nfs/dbraw/zinc/40/71/09/984407109.db2.gz QIVDRLJDKHPNRO-YPMHNXCESA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C1(CC)CC1 ZINC001274913017 984410494 /nfs/dbraw/zinc/41/04/94/984410494.db2.gz HYHWWYNFMVDGHB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)/C(C)=C/CC ZINC001275085346 984476214 /nfs/dbraw/zinc/47/62/14/984476214.db2.gz JOPFDWAKQFEKFA-WHGQRRHOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)/C(C)=C\C ZINC001275113371 984488411 /nfs/dbraw/zinc/48/84/11/984488411.db2.gz UFVANWJFOJJXPD-LVRHIEOCSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CCC(=C)C ZINC001275168400 984507856 /nfs/dbraw/zinc/50/78/56/984507856.db2.gz PAROUGPMNJUDJF-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)CC ZINC001275480194 984573130 /nfs/dbraw/zinc/57/31/30/984573130.db2.gz GNHZFACKAOPYFG-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC(C)C ZINC001275496683 984583074 /nfs/dbraw/zinc/58/30/74/984583074.db2.gz JWPWMJHODKHBSE-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)CCC ZINC001275520118 984596854 /nfs/dbraw/zinc/59/68/54/984596854.db2.gz DYIASMGWFDKJQH-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)C(CC)CC ZINC001275883221 984715770 /nfs/dbraw/zinc/71/57/70/984715770.db2.gz ALLGWCRSFMKQIH-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CCCC[NH2+]C ZINC000719758416 984807960 /nfs/dbraw/zinc/80/79/60/984807960.db2.gz YZFUBCRKMYFEAM-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257062084 984849128 /nfs/dbraw/zinc/84/91/28/984849128.db2.gz ZXIPGDZQCOVLQU-QWHCGFSZSA-N 1 0 237.343 2.392 20 30 BEEDRO CC1CC(C[NH2+]C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000691961368 984993991 /nfs/dbraw/zinc/99/39/91/984993991.db2.gz BPRQQIHNPMJRPR-HGMXIMQMSA-N 1 0 244.338 2.227 20 30 BEEDRO CC(C)[N@H+](CCO[C@H](C)C#N)C1CCC1 ZINC000686009767 985040288 /nfs/dbraw/zinc/04/02/88/985040288.db2.gz JMSJAUZKHNMTJN-LLVKDONJSA-N 1 0 210.321 2.178 20 30 BEEDRO CC(C)CN(CCC#N)CC[C@H]1CCC[N@@H+]1C ZINC000686623138 985177521 /nfs/dbraw/zinc/17/75/21/985177521.db2.gz SNTDBHDBMZVKGC-CQSZACIVSA-N 1 0 237.391 2.342 20 30 BEEDRO C#CCCCCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000686682314 985201008 /nfs/dbraw/zinc/20/10/08/985201008.db2.gz NDNVNCQMGAIVIW-UHFFFAOYSA-N 1 0 237.343 2.019 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000686686115 985204030 /nfs/dbraw/zinc/20/40/30/985204030.db2.gz XVYHXJYNRYCWCR-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO CC=C(NC=[NH2+])c1ccc(OC)cc1C#N ZINC001243723848 985247195 /nfs/dbraw/zinc/24/71/95/985247195.db2.gz BWBJVIDGSMXEFI-BASWHVEKSA-N 1 0 215.256 2.124 20 30 BEEDRO COc1ccc(-c2ccnc(C[NH3+])c2)c(C#N)c1 ZINC001243728952 985250226 /nfs/dbraw/zinc/25/02/26/985250226.db2.gz OXISXTKYJLFNBE-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(c2cc(F)ccc2C#N)C1 ZINC001458168146 985271133 /nfs/dbraw/zinc/27/11/33/985271133.db2.gz XJNMDOXKDIJXHU-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1C#N ZINC001458229262 985277436 /nfs/dbraw/zinc/27/74/36/985277436.db2.gz OWJNPJNAZWHRCU-WCQYABFASA-N 1 0 244.342 2.156 20 30 BEEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCCCC(C)(C)C#N ZINC000687263994 985281073 /nfs/dbraw/zinc/28/10/73/985281073.db2.gz YBPLNOVOMGWMGI-OKILXGFUSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN(c2cc(F)ccc2C#N)C1 ZINC001458721564 985343733 /nfs/dbraw/zinc/34/37/33/985343733.db2.gz XBULCTVBCKSOCV-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@H](C)C(C)C ZINC000687803911 985386630 /nfs/dbraw/zinc/38/66/30/985386630.db2.gz HUFXZERSRQFQLG-NWDGAFQWSA-N 1 0 212.337 2.281 20 30 BEEDRO Cc1ccnc(C#N)c1/C=C/C1CC[NH2+]CC1 ZINC001243897177 985586623 /nfs/dbraw/zinc/58/66/23/985586623.db2.gz SCFCGTBAAVJQJR-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO CC12CC(C[N@@H+]3CCC[C@@](C)(C#N)C3)(C1)CO2 ZINC001459808357 985629299 /nfs/dbraw/zinc/62/92/99/985629299.db2.gz NUUHRQPJNOFCFI-HSBZDZAISA-N 1 0 234.343 2.181 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](C)[C@@H](O)C1 ZINC001459875263 985644623 /nfs/dbraw/zinc/64/46/23/985644623.db2.gz RRGDEDYEVMYGPF-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2)C1 ZINC001490864521 985655382 /nfs/dbraw/zinc/65/53/82/985655382.db2.gz UGNOIAABLUMOLR-HDJSIYSDSA-N 1 0 244.338 2.113 20 30 BEEDRO N#Cc1c(F)cccc1C1=C[NH2+]CCC1 ZINC001243953511 985667942 /nfs/dbraw/zinc/66/79/42/985667942.db2.gz ZGXDOVSUYLQLQA-UHFFFAOYSA-N 1 0 202.232 2.422 20 30 BEEDRO C#CC[N@@H+](CCC(=O)OC(C)(C)C)C(C)C ZINC000688813934 985730581 /nfs/dbraw/zinc/73/05/81/985730581.db2.gz ODKGJKBCVCBCBL-UHFFFAOYSA-N 1 0 225.332 2.062 20 30 BEEDRO C=CCN(C[C@@H]([NH3+])CC(F)F)CC(F)(F)F ZINC000688890913 985751716 /nfs/dbraw/zinc/75/17/16/985751716.db2.gz NUWFHQPKFFQYAZ-ZETCQYMHSA-N 1 0 246.223 2.019 20 30 BEEDRO N#Cc1cc(-c2ccc(CC[NH3+])cc2)ccc1N ZINC001244117542 985828279 /nfs/dbraw/zinc/82/82/79/985828279.db2.gz QKBPPEXDRBUDEG-UHFFFAOYSA-N 1 0 237.306 2.309 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC001460523874 985858907 /nfs/dbraw/zinc/85/89/07/985858907.db2.gz RVNQTOOUWLBMBJ-MGPQQGTHSA-N 1 0 223.360 2.436 20 30 BEEDRO C[C@@H](CC1CC1)NC(=[NH2+])c1ccc(F)cn1 ZINC001258450674 985896090 /nfs/dbraw/zinc/89/60/90/985896090.db2.gz TZVGAHSHHXPKKH-QMMMGPOBSA-N 1 0 221.279 2.115 20 30 BEEDRO C=C(CC)C[N@H+]1Cc2c[nH]nc2C[C@H](C)C1 ZINC001460778323 985896945 /nfs/dbraw/zinc/89/69/45/985896945.db2.gz FYMRLBQZENMXCU-NSHDSACASA-N 1 0 219.332 2.370 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001460855888 985916568 /nfs/dbraw/zinc/91/65/68/985916568.db2.gz HOZAYLYQHLAVRJ-CHWSQXEVSA-N 1 0 229.327 2.068 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1cnon1 ZINC001460888060 985922904 /nfs/dbraw/zinc/92/29/04/985922904.db2.gz ZBGKMEKEVJBXKY-LLVKDONJSA-N 1 0 207.277 2.000 20 30 BEEDRO N#Cc1cnccc1-c1ccccc1CC[NH3+] ZINC001244337204 985985077 /nfs/dbraw/zinc/98/50/77/985985077.db2.gz OACXGLHNXLSZJH-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2cnn3c2CCC3)C1 ZINC001327841046 986015568 /nfs/dbraw/zinc/01/55/68/986015568.db2.gz MWIVPAHAXKSAGF-ZDUSSCGKSA-N 1 0 243.354 2.065 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001258726632 986069428 /nfs/dbraw/zinc/06/94/28/986069428.db2.gz VNHDAPUUJWNMAF-QJPTWQEYSA-N 1 0 215.312 2.136 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCC[C@H](F)C1 ZINC001258720680 986051747 /nfs/dbraw/zinc/05/17/47/986051747.db2.gz DDBBQVBBXKCMNT-STQMWFEESA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCCCNC(C)=O ZINC001258721296 986053403 /nfs/dbraw/zinc/05/34/03/986053403.db2.gz RMKSQYSNQNXGRW-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC001258721413 986053875 /nfs/dbraw/zinc/05/38/75/986053875.db2.gz VDDJIMPTSXRTFZ-LLVKDONJSA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001258724751 986062143 /nfs/dbraw/zinc/06/21/43/986062143.db2.gz DPGQQKZFYZRPKX-MNOVXSKESA-N 1 0 213.296 2.344 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC001258732814 986076557 /nfs/dbraw/zinc/07/65/57/986076557.db2.gz QNZMICSJIBFREQ-GFCCVEGCSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCN2CC(F)(F)C[C@H]2C1 ZINC001258732862 986076929 /nfs/dbraw/zinc/07/69/29/986076929.db2.gz QZTCREIJFMQZBJ-RYUDHWBXSA-N 1 0 244.329 2.366 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)C=C2CCC2)C1 ZINC001278381615 986093576 /nfs/dbraw/zinc/09/35/76/986093576.db2.gz MIDWNAKYJAOTJC-HNNXBMFYSA-N 1 0 248.370 2.253 20 30 BEEDRO CCCC[C@@H](CCC)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258757236 986120940 /nfs/dbraw/zinc/12/09/40/986120940.db2.gz KNPANBOXLISLPL-TUAOUCFPSA-N 1 0 242.363 2.171 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC001461727637 986123627 /nfs/dbraw/zinc/12/36/27/986123627.db2.gz DELBKOANKVUGSG-QLFBSQMISA-N 1 0 235.371 2.343 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1cccc(F)c1 ZINC001253583851 986150459 /nfs/dbraw/zinc/15/04/59/986150459.db2.gz IQAFUTNRKYYTKO-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001253585009 986165417 /nfs/dbraw/zinc/16/54/17/986165417.db2.gz SVWZEDGAPJIEFV-NSHDSACASA-N 1 0 237.730 2.245 20 30 BEEDRO N#Cc1csc(C[NH2+]C/C=C/Cl)c1 ZINC001461807973 986171867 /nfs/dbraw/zinc/17/18/67/986171867.db2.gz ZITYJVCMNQMMSW-OWOJBTEDSA-N 1 0 212.705 2.462 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1C ZINC001253597846 986224675 /nfs/dbraw/zinc/22/46/75/986224675.db2.gz KCPAJOPICPURPA-LBPRGKRZSA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(F)cc1 ZINC001253598339 986232109 /nfs/dbraw/zinc/23/21/09/986232109.db2.gz SAYZGXVEUGVGJY-ZDUSSCGKSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001253599921 986233751 /nfs/dbraw/zinc/23/37/51/986233751.db2.gz BEYSPURIDJKAQH-SKDRFNHKSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@H](O)CNC(=[NH2+])C1CCCCCC1 ZINC001253603051 986255840 /nfs/dbraw/zinc/25/58/40/986255840.db2.gz QQHGZHGCHXZHMT-NSHDSACASA-N 1 0 210.321 2.071 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccc(C)cc1 ZINC001253603431 986257677 /nfs/dbraw/zinc/25/76/77/986257677.db2.gz XQAKDYSRHKDMDP-ZDUSSCGKSA-N 1 0 219.328 2.367 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC001253602905 986257875 /nfs/dbraw/zinc/25/78/75/986257875.db2.gz NOCQTVCBYKHEIX-RWMBFGLXSA-N 1 0 237.730 2.332 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001253603617 986258531 /nfs/dbraw/zinc/25/85/31/986258531.db2.gz ZCLMRBVNDDDGGV-CYBMUJFWSA-N 1 0 247.338 2.037 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC001253602915 986258968 /nfs/dbraw/zinc/25/89/68/986258968.db2.gz NTLWZAWEILMRGA-RUXDESIVSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1F ZINC001253604236 986260434 /nfs/dbraw/zinc/26/04/34/986260434.db2.gz HKSBBOXOXJIVBA-MFKMUULPSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC001253604920 986262894 /nfs/dbraw/zinc/26/28/94/986262894.db2.gz NAJBIYYKPXUCKU-LBPRGKRZSA-N 1 0 223.291 2.197 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC001253607190 986264743 /nfs/dbraw/zinc/26/47/43/986264743.db2.gz SHQRMGAVNYOKST-TZMCWYRMSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001253607434 986264809 /nfs/dbraw/zinc/26/48/09/986264809.db2.gz XBKUMQZCKIWSFF-CYBMUJFWSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC001253605295 986266054 /nfs/dbraw/zinc/26/60/54/986266054.db2.gz QRXCZEDIZICWCC-ONGXEEELSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1ccc(C(C)C)cc1 ZINC001253607733 986269771 /nfs/dbraw/zinc/26/97/71/986269771.db2.gz DOBFKMZHVUOACA-OAHLLOKOSA-N 1 0 233.355 2.489 20 30 BEEDRO C=C[C@H](O)CNC(=[NH2+])c1cccc2ccccc21 ZINC001253607681 986270319 /nfs/dbraw/zinc/27/03/19/986270319.db2.gz CRNDGQFMPBGVPT-LBPRGKRZSA-N 1 0 240.306 2.302 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CCC)c1ccncc1 ZINC001253609327 986276177 /nfs/dbraw/zinc/27/61/77/986276177.db2.gz QXUAUEHNOAAIRP-OLZOCXBDSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC001253609691 986276848 /nfs/dbraw/zinc/27/68/48/986276848.db2.gz XRMQLLIUEGWEQK-JSGCOSHPSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC(C)C)c1ccccn1 ZINC001253609690 986277993 /nfs/dbraw/zinc/27/79/93/986277993.db2.gz XRMQLLIUEGWEQK-GXTWGEPZSA-N 1 0 234.343 2.305 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](CC)[C@@H]2C)nn1 ZINC001462122963 986288557 /nfs/dbraw/zinc/28/85/57/986288557.db2.gz GSOJQEDHYSCBAE-QWHCGFSZSA-N 1 0 248.374 2.475 20 30 BEEDRO CC(C)SCCN1CCC[C@@H](C#N)C1 ZINC000381563530 986304058 /nfs/dbraw/zinc/30/40/58/986304058.db2.gz XXPYQTAHTOEPOS-NSHDSACASA-N 1 0 212.362 2.364 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)cc(OC)cc1O)C(C)C ZINC001462210036 986314414 /nfs/dbraw/zinc/31/44/14/986314414.db2.gz JDTBBRIMPWTBJK-CQSZACIVSA-N 1 0 247.338 2.457 20 30 BEEDRO COc1ccc(-c2c[nH+]ccc2N)cc1C#N ZINC001244708973 986317013 /nfs/dbraw/zinc/31/70/13/986317013.db2.gz JQUXNEWMSMYRLQ-UHFFFAOYSA-N 1 0 225.251 2.041 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001462229697 986319917 /nfs/dbraw/zinc/31/99/17/986319917.db2.gz IWISBLPTKXGQQP-CYDGBPFRSA-N 1 0 209.333 2.092 20 30 BEEDRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001253728883 986341235 /nfs/dbraw/zinc/34/12/35/986341235.db2.gz RMKTWVMJTYRTTI-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462390157 986373395 /nfs/dbraw/zinc/37/33/95/986373395.db2.gz YXUKBBDJNPQNEZ-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001462458517 986396440 /nfs/dbraw/zinc/39/64/40/986396440.db2.gz OUGFQUOPCHLFJG-AVGNSLFASA-N 1 0 209.333 2.357 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001253780145 986416600 /nfs/dbraw/zinc/41/66/00/986416600.db2.gz CTFHYOMEMNXSBA-HSBZDZAISA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCOCC1)C1CCC1 ZINC001462654960 986469721 /nfs/dbraw/zinc/46/97/21/986469721.db2.gz OBIONPVWBWEQDT-NSHDSACASA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCN(C[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC001580052476 986486799 /nfs/dbraw/zinc/48/67/99/986486799.db2.gz MSRVVWXKOFYOEW-CYBMUJFWSA-N 1 0 235.375 2.144 20 30 BEEDRO N#C[C@H]1CC[C@@H](Nc2ccc(CC[NH3+])cc2)C1 ZINC001254637314 986683181 /nfs/dbraw/zinc/68/31/81/986683181.db2.gz QKUMHOIMGHTZEU-GXTWGEPZSA-N 1 0 229.327 2.292 20 30 BEEDRO N#C[C@H]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001254640104 986689925 /nfs/dbraw/zinc/68/99/25/986689925.db2.gz ZQVYNWXPADRGKS-VHSXEESVSA-N 1 0 246.289 2.218 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N(C(N)=[NH2+])c2ccccc2)C1 ZINC001254642523 986694238 /nfs/dbraw/zinc/69/42/38/986694238.db2.gz IBSHYQCWGJFCOR-ZYHUDNBSSA-N 1 0 228.299 2.079 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001254650118 986703102 /nfs/dbraw/zinc/70/31/02/986703102.db2.gz SXHZHBXEEFRELC-DKNRTOFZSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccno1 ZINC001254653917 986705090 /nfs/dbraw/zinc/70/50/90/986705090.db2.gz QEXVPRBTPKYOHK-LPEHRKFASA-N 1 0 205.261 2.017 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccncc3C2)C1 ZINC001254669004 986718901 /nfs/dbraw/zinc/71/89/01/986718901.db2.gz MRNQIZVNCRQMAW-BXUZGUMPSA-N 1 0 227.311 2.132 20 30 BEEDRO C[N@H+](C1CC1)C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254672475 986721836 /nfs/dbraw/zinc/72/18/36/986721836.db2.gz BOVGDUGOMLFLAP-SWLSCSKDSA-N 1 0 247.386 2.237 20 30 BEEDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CC[C@@H](C#N)C1 ZINC001254673638 986727236 /nfs/dbraw/zinc/72/72/36/986727236.db2.gz MSGZBIMHZFITCU-ZBBUEOHVSA-N 1 0 234.343 2.320 20 30 BEEDRO N#Cc1coc(C[NH2+]C2CCSCC2)c1 ZINC001255087377 986810329 /nfs/dbraw/zinc/81/03/29/986810329.db2.gz JMQJCJSJHNRXNB-UHFFFAOYSA-N 1 0 222.313 2.136 20 30 BEEDRO CC[C@H](CC#N)n1cc(CC[NH3+])c2ncccc21 ZINC001255154233 986824658 /nfs/dbraw/zinc/82/46/58/986824658.db2.gz FPAJEEIMWXTYLZ-GFCCVEGCSA-N 1 0 242.326 2.402 20 30 BEEDRO CCCC[N@H+](CC)CCN[C@H](CC)CC#N ZINC001255153209 986826843 /nfs/dbraw/zinc/82/68/43/986826843.db2.gz RBKVGBMUIGRVPG-CYBMUJFWSA-N 1 0 225.380 2.390 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](CO)Cc1ccccc1 ZINC001255157731 986832362 /nfs/dbraw/zinc/83/23/62/986832362.db2.gz UPIYVCOSAIFNLJ-CABCVRRESA-N 1 0 246.354 2.119 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000389225009 986853548 /nfs/dbraw/zinc/85/35/48/986853548.db2.gz PNDOCILVHPFEAC-RKDXNWHRSA-N 1 0 202.248 2.456 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1Cl ZINC000393738383 986859522 /nfs/dbraw/zinc/85/95/22/986859522.db2.gz ACWXPXJLISCSBQ-JQWIXIFHSA-N 1 0 239.746 2.408 20 30 BEEDRO N#CCc1ccc(-c2ccncc2C[NH3+])cc1 ZINC001245557043 986941602 /nfs/dbraw/zinc/94/16/02/986941602.db2.gz ACVMRZGZTLMNRQ-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO C=C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1 ZINC001255425346 986946158 /nfs/dbraw/zinc/94/61/58/986946158.db2.gz DQCTWTKOBXWRBV-UONOGXRCSA-N 1 0 216.328 2.207 20 30 BEEDRO Cc1cc(C#N)c(-c2ccncc2C[NH3+])nc1C ZINC001245558082 986946759 /nfs/dbraw/zinc/94/67/59/986946759.db2.gz RCTXYWLNCCUSNK-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)c1ccccc1 ZINC001491382374 987131210 /nfs/dbraw/zinc/13/12/10/987131210.db2.gz UXSJVLNDYDPINZ-CYBMUJFWSA-N 1 0 246.354 2.361 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)c1ccccc1 ZINC001491382375 987135996 /nfs/dbraw/zinc/13/59/96/987135996.db2.gz UXSJVLNDYDPINZ-ZDUSSCGKSA-N 1 0 246.354 2.361 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)CCCC ZINC001491396899 987145370 /nfs/dbraw/zinc/14/53/70/987145370.db2.gz GDBKGGIMRBOFME-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CCC(C)C ZINC001491390428 987148367 /nfs/dbraw/zinc/14/83/67/987148367.db2.gz YWCQMLNASMYYBL-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]CC(C)(C)C1CCN(C(C)=O)CC1 ZINC001101501519 987192629 /nfs/dbraw/zinc/19/26/29/987192629.db2.gz WPMMXCGSYIRFDF-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC)C1 ZINC001102626314 987220410 /nfs/dbraw/zinc/22/04/10/987220410.db2.gz YSBIVLQVHOFBNI-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]C[C@@H](F)CC ZINC001491547944 987226582 /nfs/dbraw/zinc/22/65/82/987226582.db2.gz MXMHCBNNBUDUID-MNOVXSKESA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH+]1CCCCCC1 ZINC001472487836 987229835 /nfs/dbraw/zinc/22/98/35/987229835.db2.gz ZXKVWEBXSXKLDE-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO CCCCCCCC[C@H](O)CNC[C@H]1CC[NH2+]1 ZINC001245980869 987259013 /nfs/dbraw/zinc/25/90/13/987259013.db2.gz JFVFZCJAPAGLRX-KGLIPLIRSA-N 1 0 242.407 2.049 20 30 BEEDRO C=CCCCCCC[C@H](O)CN(C)CC[NH2+]C ZINC001246015500 987294336 /nfs/dbraw/zinc/29/43/36/987294336.db2.gz WGAJUDMZWIQFDL-AWEZNQCLSA-N 1 0 242.407 2.025 20 30 BEEDRO C=CCCCCCC[C@@H](O)CN(C)CC[NH2+]C ZINC001246015506 987297278 /nfs/dbraw/zinc/29/72/78/987297278.db2.gz WGAJUDMZWIQFDL-CQSZACIVSA-N 1 0 242.407 2.025 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)C=C(C)C)CC1 ZINC001472934097 987306049 /nfs/dbraw/zinc/30/60/49/987306049.db2.gz RGFHQLPKDKAMTQ-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C#CCCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000694003790 987318209 /nfs/dbraw/zinc/31/82/09/987318209.db2.gz SDVMTDSWZHMETK-UHFFFAOYSA-N 1 0 227.311 2.456 20 30 BEEDRO C=CCCCCCC[C@@H](O)CN(CC)CC[NH3+] ZINC001246051713 987345504 /nfs/dbraw/zinc/34/55/04/987345504.db2.gz KAONLIIJTXRNPP-CQSZACIVSA-N 1 0 242.407 2.155 20 30 BEEDRO N#Cc1ccccc1OC[C@H]1CCCC[NH2+]C1 ZINC000697051745 987347701 /nfs/dbraw/zinc/34/77/01/987347701.db2.gz KGONLYHJCSGSTA-LBPRGKRZSA-N 1 0 230.311 2.327 20 30 BEEDRO CCCCCCCC[C@H](O)CN1CC[C@@H]1[NH2+]C ZINC001246071097 987355368 /nfs/dbraw/zinc/35/53/68/987355368.db2.gz REEXZUBXAANPGW-UONOGXRCSA-N 1 0 242.407 2.349 20 30 BEEDRO C=CCCCC[N@@H+](C)C1CCS(=O)CC1 ZINC001473228088 987375102 /nfs/dbraw/zinc/37/51/02/987375102.db2.gz OVLCEOOWMLNRIT-UHFFFAOYSA-N 1 0 229.389 2.186 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000699889427 987379056 /nfs/dbraw/zinc/37/90/56/987379056.db2.gz OUEAGWSOTOVLBK-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000699889425 987381924 /nfs/dbraw/zinc/38/19/24/987381924.db2.gz OUEAGWSOTOVLBK-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc2c(c1)CCC2 ZINC001473333747 987399017 /nfs/dbraw/zinc/39/90/17/987399017.db2.gz HDOVCVBRLIRKJS-IAQYHMDHSA-N 1 0 244.338 2.100 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001473333444 987399064 /nfs/dbraw/zinc/39/90/64/987399064.db2.gz AVYOSCYKHVPATI-CYBMUJFWSA-N 1 0 243.350 2.476 20 30 BEEDRO CCCCCCC[C@H](CC)N[C@@H]1C[NH2+]C[C@@H]1O ZINC001246098693 987415611 /nfs/dbraw/zinc/41/56/11/987415611.db2.gz CYNSVVYRHZHPII-MJBXVCDLSA-N 1 0 242.407 2.048 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CC[NH2+][C@@H]3C)C[C@H](C1)C2 ZINC001246100061 987420335 /nfs/dbraw/zinc/42/03/35/987420335.db2.gz COJAZDRRIFYGNT-MQAAVTGUSA-N 1 0 234.387 2.461 20 30 BEEDRO CCCCCCC[C@@H](CC)N[C@@H]1C[NH2+]C[C@H]1O ZINC001246112152 987446811 /nfs/dbraw/zinc/44/68/11/987446811.db2.gz CYNSVVYRHZHPII-MGPQQGTHSA-N 1 0 242.407 2.048 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2csc(NCC)n2)C1 ZINC001473788603 987556977 /nfs/dbraw/zinc/55/69/77/987556977.db2.gz PQIRRYFZGQUVRH-LLVKDONJSA-N 1 0 249.383 2.420 20 30 BEEDRO C#CCN(CC[N@H+](C)Cc1ccccc1)C(C)C ZINC001473817425 987567107 /nfs/dbraw/zinc/56/71/07/987567107.db2.gz SZBDNCPCARJNHU-UHFFFAOYSA-N 1 0 244.382 2.462 20 30 BEEDRO C[C@H]1CC[C@@H](NC2(C#N)CCCCCC2)C[NH2+]1 ZINC001246194115 987588578 /nfs/dbraw/zinc/58/85/78/987588578.db2.gz ZILKOXJWUGISKT-QWHCGFSZSA-N 1 0 235.375 2.333 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1[C@@H]1CCN(CC=C)C1=O ZINC001473857055 987591532 /nfs/dbraw/zinc/59/15/32/987591532.db2.gz BFVPNFQWCMHOGZ-UONOGXRCSA-N 1 0 248.370 2.204 20 30 BEEDRO C[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC001246202146 987599289 /nfs/dbraw/zinc/59/92/89/987599289.db2.gz RXGWUBMHHWPHRI-HUBLWGQQSA-N 1 0 243.354 2.349 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001473889905 987603525 /nfs/dbraw/zinc/60/35/25/987603525.db2.gz REWWJAASPSQETK-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(c2cncn2C)CC1 ZINC001473894788 987608853 /nfs/dbraw/zinc/60/88/53/987608853.db2.gz QSBGGXWYTMCSPF-ZDUSSCGKSA-N 1 0 245.370 2.401 20 30 BEEDRO C[C@@H]1CC[C@H](N[C@@H](C#N)c2ccc(F)cc2)C[NH2+]1 ZINC001246232403 987628436 /nfs/dbraw/zinc/62/84/36/987628436.db2.gz WUHPCGUJLCGUKN-SWHYSGLUSA-N 1 0 247.317 2.120 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1-n1cncn1 ZINC001474005483 987629145 /nfs/dbraw/zinc/62/91/45/987629145.db2.gz BBGIXIHLYGGAIS-GFCCVEGCSA-N 1 0 242.326 2.322 20 30 BEEDRO C[C@@H]1C[C@@H](N[C@H](C#N)c2ccc(F)cc2)CC[NH2+]1 ZINC001246233248 987632565 /nfs/dbraw/zinc/63/25/65/987632565.db2.gz ZQUFFDVIVHOZNW-DDTOSNHZSA-N 1 0 247.317 2.120 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cccc(O)c2)C1 ZINC001116575472 987633244 /nfs/dbraw/zinc/63/32/44/987633244.db2.gz BQRZPVDZSYGDHI-AWEZNQCLSA-N 1 0 233.311 2.169 20 30 BEEDRO Cc1ncc(C[NH2+]Cc2ccc(C#N)s2)cn1 ZINC001474185479 987656158 /nfs/dbraw/zinc/65/61/58/987656158.db2.gz WAMLOIJVSFQNJF-UHFFFAOYSA-N 1 0 244.323 2.008 20 30 BEEDRO N#Cc1ccc(CC[NH2+]Cc2ccco2)cc1 ZINC001474207703 987658339 /nfs/dbraw/zinc/65/83/39/987658339.db2.gz BCPCVRRPGLSMDC-UHFFFAOYSA-N 1 0 226.279 2.484 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1CNCCC1=O ZINC001246297435 987689872 /nfs/dbraw/zinc/68/98/72/987689872.db2.gz ZVMSPKPIWMEDQR-CHWSQXEVSA-N 1 0 240.391 2.256 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001474420667 987720958 /nfs/dbraw/zinc/72/09/58/987720958.db2.gz ZXFVHUUEAAMNFY-NSHDSACASA-N 1 0 248.326 2.491 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CCSC1 ZINC001116827966 987722712 /nfs/dbraw/zinc/72/27/12/987722712.db2.gz SHAFWBAJOMUFDD-GFCCVEGCSA-N 1 0 209.358 2.085 20 30 BEEDRO C#C[C@@H](C)[NH2+]CC1(OC)CCCCCC1 ZINC001474513937 987745290 /nfs/dbraw/zinc/74/52/90/987745290.db2.gz XOKXGZGSGOOEPM-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@@H]1CCC[NH2+]C1 ZINC001246337319 987745235 /nfs/dbraw/zinc/74/52/35/987745235.db2.gz RMCWOSVEZBIUER-LLVKDONJSA-N 1 0 208.280 2.025 20 30 BEEDRO CC[C@@H](CC#N)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246337708 987745463 /nfs/dbraw/zinc/74/54/63/987745463.db2.gz BPERYWHGUGLFNR-XQQFMLRXSA-N 1 0 221.348 2.072 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H]3CCC[C@@H]32)C1 ZINC001474592376 987771230 /nfs/dbraw/zinc/77/12/30/987771230.db2.gz YQWFYUSDFZKRDJ-WJTVCTBASA-N 1 0 204.317 2.457 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CCC[C@]1(C)CC ZINC001474693740 987803771 /nfs/dbraw/zinc/80/37/71/987803771.db2.gz VIWRDBJRRVVVMH-IHRRRGAJSA-N 1 0 223.360 2.319 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CCCCCCS)CN1 ZINC001246461335 987819167 /nfs/dbraw/zinc/81/91/67/987819167.db2.gz APHNAECZIWAEHT-NEPJUHHUSA-N 1 0 230.421 2.207 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]CCCCCCS)CN1 ZINC001246461338 987819765 /nfs/dbraw/zinc/81/97/65/987819765.db2.gz APHNAECZIWAEHT-VXGBXAGGSA-N 1 0 230.421 2.207 20 30 BEEDRO CC1(C)CC([NH2+]CCNc2ncccc2C#N)C1 ZINC001474762268 987822862 /nfs/dbraw/zinc/82/28/62/987822862.db2.gz OBJYNLOSAWHGPT-UHFFFAOYSA-N 1 0 244.342 2.143 20 30 BEEDRO C#CC[N@@H+](Cc1oc(C)nc1C)CC1CC1 ZINC001117629897 987852545 /nfs/dbraw/zinc/85/25/45/987852545.db2.gz SUQUVHFFAHLEIL-UHFFFAOYSA-N 1 0 218.300 2.137 20 30 BEEDRO CCCCCCC[C@H](C)N1C[C@@H]([NH3+])C[C@H](O)C1 ZINC001246538631 987898656 /nfs/dbraw/zinc/89/86/56/987898656.db2.gz IKKROQPKLMRMHA-IHRRRGAJSA-N 1 0 242.407 2.129 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@H+](CCC=C)[C@@H]1C ZINC001479698743 987905825 /nfs/dbraw/zinc/90/58/25/987905825.db2.gz BFSVEKRMHSPGQD-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[N@@H+](C)CC ZINC001479794273 987909790 /nfs/dbraw/zinc/90/97/90/987909790.db2.gz FZGIIPGRZZRMKM-ZDUSSCGKSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)C=C1CCC1 ZINC001479765583 987913913 /nfs/dbraw/zinc/91/39/13/987913913.db2.gz VXTAYCCKGSUMLV-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)/C(C)=C\CC ZINC001321469232 987915941 /nfs/dbraw/zinc/91/59/41/987915941.db2.gz JOPFDWAKQFEKFA-FFXRNRBCSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)[C@@H](C)C(C)C ZINC001479799767 987917428 /nfs/dbraw/zinc/91/74/28/987917428.db2.gz BEAQFZRXAGIEKS-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001479945434 987932496 /nfs/dbraw/zinc/93/24/96/987932496.db2.gz ZJQMUHDGKDVKQF-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001480162339 987951106 /nfs/dbraw/zinc/95/11/06/987951106.db2.gz PRTBJCMXDGJVMS-AVGNSLFASA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccoc2C)C1 ZINC001480192651 987957540 /nfs/dbraw/zinc/95/75/40/987957540.db2.gz XYUIPMYPZFDXQE-TXEJJXNPSA-N 1 0 248.326 2.015 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)CCC ZINC001480528308 988000710 /nfs/dbraw/zinc/00/07/10/988000710.db2.gz NXMMWWZNVLMJFM-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001480623783 988013511 /nfs/dbraw/zinc/01/35/11/988013511.db2.gz NWDPYIQMOWFIRL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C(C)(C)C ZINC001480805397 988033163 /nfs/dbraw/zinc/03/31/63/988033163.db2.gz IUUBZRRUYAUYIN-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1CC ZINC001493019277 988051477 /nfs/dbraw/zinc/05/14/77/988051477.db2.gz KMZYCJNBBLWJMB-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C(C)(C)CC ZINC001321966693 988066666 /nfs/dbraw/zinc/06/66/66/988066666.db2.gz SEOIKGUEYQQWPD-JTQLQIEISA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)CC[N@H+](CCC)CCNC(=O)CC ZINC001493269128 988077911 /nfs/dbraw/zinc/07/79/11/988077911.db2.gz IYZWCSMLKXNJIQ-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(Cl)C[NH2+]CCN(C)C(=O)CCC(C)C ZINC001493473624 988091798 /nfs/dbraw/zinc/09/17/98/988091798.db2.gz SMVJCWSYVSTEOD-UHFFFAOYSA-N 1 0 246.782 2.223 20 30 BEEDRO CC[C@@H](CC#N)N1CCCC[C@](C)(C[NH3+])C1 ZINC001246578757 988095889 /nfs/dbraw/zinc/09/58/89/988095889.db2.gz BXXCTNYMRACZOA-QWHCGFSZSA-N 1 0 223.364 2.130 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CC1CC1 ZINC001322105665 988112146 /nfs/dbraw/zinc/11/21/46/988112146.db2.gz VWFGVGJTTGOQOY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001494704744 988174329 /nfs/dbraw/zinc/17/43/29/988174329.db2.gz PGDGGJWVHUPRAL-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1nnc2ccccn21 ZINC001118291828 988199366 /nfs/dbraw/zinc/19/93/66/988199366.db2.gz VIZVSHPUDWFZQL-GHMZBOCLSA-N 1 0 243.314 2.072 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)/C(C)=C\C ZINC001494962457 988203940 /nfs/dbraw/zinc/20/39/40/988203940.db2.gz UTLFQMKGUGXFBG-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001118307350 988211713 /nfs/dbraw/zinc/21/17/13/988211713.db2.gz DBQLLOPLEMPVFB-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@]23CCC[NH2+]C3)CC1 ZINC001246605404 988216059 /nfs/dbraw/zinc/21/60/59/988216059.db2.gz BSXIUZOBHPDFJJ-NRXISQOPSA-N 1 0 247.386 2.287 20 30 BEEDRO C=CC[NH2+]C[C@@](C)(NC(=O)C=C(C)C)C1CC1 ZINC001495217509 988216494 /nfs/dbraw/zinc/21/64/94/988216494.db2.gz HEKNSRBTZVNJSA-CQSZACIVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[C@H](C)CC ZINC001495652111 988237435 /nfs/dbraw/zinc/23/74/35/988237435.db2.gz NGDSOEQEQFFHIJ-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1C ZINC001322395605 988240071 /nfs/dbraw/zinc/24/00/71/988240071.db2.gz YFIORPBYRRERDT-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)/C(C)=C\CC ZINC001495630952 988240963 /nfs/dbraw/zinc/24/09/63/988240963.db2.gz VZZYBGKUAJNHLR-YFBAIUBQSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C(C)C ZINC001495673669 988247110 /nfs/dbraw/zinc/24/71/10/988247110.db2.gz YKOGOADTAKMZPF-GFCCVEGCSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001495796080 988256790 /nfs/dbraw/zinc/25/67/90/988256790.db2.gz MHNGBJUZBCAHQK-ZDUSSCGKSA-N 1 0 246.354 2.137 20 30 BEEDRO CCCCCCC[NH2+]C[C@H](C)N(C)C(C)=O ZINC001495984608 988270890 /nfs/dbraw/zinc/27/08/90/988270890.db2.gz OOEHZGKPYMXHNQ-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C1(C)CCCC1 ZINC001496123939 988286716 /nfs/dbraw/zinc/28/67/16/988286716.db2.gz COOCCIWKZAMDDL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001496140146 988291363 /nfs/dbraw/zinc/29/13/63/988291363.db2.gz FTBZBEDCKOMOFJ-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C/C=C(/C)C=C ZINC001496142948 988292063 /nfs/dbraw/zinc/29/20/63/988292063.db2.gz XCDVZWWLXKQTJA-FSBNRTBOSA-N 1 0 236.359 2.131 20 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BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H](F)C(C)C ZINC001497249741 988369701 /nfs/dbraw/zinc/36/97/01/988369701.db2.gz XWFBNIICZADJAV-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C#CC[N@H+](CCOc1ccccc1)CC1CC1 ZINC001322949134 988410116 /nfs/dbraw/zinc/41/01/16/988410116.db2.gz VWLAJWKZOSOUSP-UHFFFAOYSA-N 1 0 229.323 2.411 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](NC(=O)C(C)C)C1CC1 ZINC001322960702 988414708 /nfs/dbraw/zinc/41/47/08/988414708.db2.gz ZLABHFKNGALCIJ-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](NC(=O)C(C)C)C1CC1 ZINC001322960703 988416451 /nfs/dbraw/zinc/41/64/51/988416451.db2.gz ZLABHFKNGALCIJ-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)CC ZINC001497895433 988428998 /nfs/dbraw/zinc/42/89/98/988428998.db2.gz XUCRKUQOEZBANB-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1CCCC1 ZINC001498002162 988441335 /nfs/dbraw/zinc/44/13/35/988441335.db2.gz KETXLAFKIRBNEI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 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C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C1CC(C)C1 ZINC001507060655 988811220 /nfs/dbraw/zinc/81/12/20/988811220.db2.gz KDTYXULWUUTHEU-OTTFEQOBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001507112914 988815813 /nfs/dbraw/zinc/81/58/13/988815813.db2.gz LIARFYAGWFMDJK-CHWSQXEVSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C=C(\C)CC)C1 ZINC001507311920 988836448 /nfs/dbraw/zinc/83/64/48/988836448.db2.gz BHTYFDUNPUQRMT-NALFIARHSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001507404187 988839997 /nfs/dbraw/zinc/83/99/97/988839997.db2.gz KEFIOZMWBWLCOD-UONOGXRCSA-N 1 0 248.370 2.157 20 30 BEEDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)CCC#N)cnn1C ZINC001119238938 988856776 /nfs/dbraw/zinc/85/67/76/988856776.db2.gz CLIWPXDMHRYDQD-QWRGUYRKSA-N 1 0 234.347 2.319 20 30 BEEDRO C=CCCC[N@H+]1CC[C@](C)(NC(=O)CCC)C1 ZINC001324570245 988877301 /nfs/dbraw/zinc/87/73/01/988877301.db2.gz DAAKCABOTZHEOR-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C=C2CCC2)C1 ZINC001324601512 988886513 /nfs/dbraw/zinc/88/65/13/988886513.db2.gz MHYFVIVRGKYOFZ-HNNXBMFYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C=C2CCC2)C1 ZINC001324601514 988887750 /nfs/dbraw/zinc/88/77/50/988887750.db2.gz MHYFVIVRGKYOFZ-OAHLLOKOSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001119309518 988924067 /nfs/dbraw/zinc/92/40/67/988924067.db2.gz YHIOGZMLTDGKOH-CHWSQXEVSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC001324722842 988945755 /nfs/dbraw/zinc/94/57/55/988945755.db2.gz ZEFOMJCPXJTODD-NSHDSACASA-N 1 0 231.286 2.309 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC001514881199 988954087 /nfs/dbraw/zinc/95/40/87/988954087.db2.gz GNQKPGUTUPHASK-LLVKDONJSA-N 1 0 248.326 2.309 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[C@@H]([NH3+])C1CC1 ZINC001514882730 988956072 /nfs/dbraw/zinc/95/60/72/988956072.db2.gz MMTSYFPQFJMZJG-QWHCGFSZSA-N 1 0 236.359 2.071 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC001325116941 989089612 /nfs/dbraw/zinc/08/96/12/989089612.db2.gz GHPBUUBSAZPQCV-GFCCVEGCSA-N 1 0 239.290 2.125 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc(F)cc1F ZINC001325158416 989104143 /nfs/dbraw/zinc/10/41/43/989104143.db2.gz QYFQTDJERZMVOA-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@H](OC)C1 ZINC001248748576 989140791 /nfs/dbraw/zinc/14/07/91/989140791.db2.gz OJKOVHYJVMAIJK-HNNXBMFYSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C#N)ccc1C[NH+]1CCC1 ZINC001248743586 989141116 /nfs/dbraw/zinc/14/11/16/989141116.db2.gz YPKXFXRNBLWSJV-UHFFFAOYSA-N 1 0 200.285 2.326 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]1COC ZINC001248753208 989145898 /nfs/dbraw/zinc/14/58/98/989145898.db2.gz WZTZFWJFZFTRLJ-OAHLLOKOSA-N 1 0 244.338 2.341 20 30 BEEDRO C=C[C@H](CC)CC(=O)O[C@@H](CC)C[NH+](C)C ZINC001516655709 989167293 /nfs/dbraw/zinc/16/72/93/989167293.db2.gz JQKVZEKXJNFJNP-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CC[N@H+](CCOCC1CCC1)CC1CC1 ZINC001325356841 989171160 /nfs/dbraw/zinc/17/11/60/989171160.db2.gz QNPJQCCALKLDJL-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC)C1 ZINC001325367488 989175967 /nfs/dbraw/zinc/17/59/67/989175967.db2.gz VMIIOSIHTZQEBD-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC)C1 ZINC001325410660 989183134 /nfs/dbraw/zinc/18/31/34/989183134.db2.gz SQBUBRDQHQRRLM-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)Cc1ccccc1OC ZINC001325619467 989219252 /nfs/dbraw/zinc/21/92/52/989219252.db2.gz GMSDLIQMMKKAOB-TZMCWYRMSA-N 1 0 249.354 2.417 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)Cc1ccccc1OC ZINC001325619466 989222192 /nfs/dbraw/zinc/22/21/92/989222192.db2.gz GMSDLIQMMKKAOB-OCCSQVGLSA-N 1 0 249.354 2.417 20 30 BEEDRO C[NH2+][C@H](C)CCN[C@@H](C)c1ccc(C#N)cc1F ZINC001325724367 989243623 /nfs/dbraw/zinc/24/36/23/989243623.db2.gz WRDZSMJVXHIZJW-MNOVXSKESA-N 1 0 249.333 2.346 20 30 BEEDRO CC(C)[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249082292 989247289 /nfs/dbraw/zinc/24/72/89/989247289.db2.gz NTKKHIPOXRXCDJ-UHFFFAOYSA-N 1 0 228.299 2.046 20 30 BEEDRO N#CC1(C[C@H](O)C[NH+]2CC3(C2)CCCC3)CCC1 ZINC001119621276 989251193 /nfs/dbraw/zinc/25/11/93/989251193.db2.gz IJYHQYBZVMMCIT-ZDUSSCGKSA-N 1 0 248.370 2.307 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CC2CCC1CC2 ZINC001119632404 989267134 /nfs/dbraw/zinc/26/71/34/989267134.db2.gz TYWAXRZZMZSKNX-IFWUJCSASA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC001325843547 989281241 /nfs/dbraw/zinc/28/12/41/989281241.db2.gz DDGDXDYDPMLFLO-IUCAKERBSA-N 1 0 238.718 2.071 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001325875327 989293490 /nfs/dbraw/zinc/29/34/90/989293490.db2.gz UNOCKRZGBMMFIK-ZIAGYGMSSA-N 1 0 223.360 2.129 20 30 BEEDRO CSC[C@@H](CCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC001119688605 989334619 /nfs/dbraw/zinc/33/46/19/989334619.db2.gz JBXFNZMNWSUGAT-WDEREUQCSA-N 1 0 244.404 2.018 20 30 BEEDRO C=C(CC(C)C)C(=O)NCCC[NH+](CC)CC ZINC001518762800 989335419 /nfs/dbraw/zinc/33/54/19/989335419.db2.gz XPKHCEMNLSJLMI-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CCC(F)(F)CC1 ZINC001326186889 989414466 /nfs/dbraw/zinc/41/44/66/989414466.db2.gz CIVXPBLWQFIWRP-VIFPVBQESA-N 1 0 219.275 2.355 20 30 BEEDRO C#CC[N@@H+](C[C@H](COC)C(C)C)C1CC1 ZINC001119818648 989420971 /nfs/dbraw/zinc/42/09/71/989420971.db2.gz QYVSYVIRGBBECB-GFCCVEGCSA-N 1 0 209.333 2.003 20 30 BEEDRO C[C@H]1CC[N@H+](CC2CCC(C#N)CC2)[C@H]1CO ZINC001119840974 989431615 /nfs/dbraw/zinc/43/16/15/989431615.db2.gz DQEVITHQJSQOTM-ABXWRUBCSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CCc1ccc(F)cc1 ZINC001120037419 989569240 /nfs/dbraw/zinc/56/92/40/989569240.db2.gz GJXRTWUMSYJXHE-ZDUSSCGKSA-N 1 0 237.318 2.142 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1C[C@]1(C)Br ZINC001120040027 989573655 /nfs/dbraw/zinc/57/36/55/989573655.db2.gz QDQOWBZYYUDATM-BDAKNGLRSA-N 1 0 218.138 2.278 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001326488647 989580239 /nfs/dbraw/zinc/58/02/39/989580239.db2.gz LHGONWOEZCDRNY-MJBXVCDLSA-N 1 0 223.360 2.436 20 30 BEEDRO C#CC[C@H]([NH2+][C@H](C)[C@H](C)O)c1ccccc1 ZINC001326600360 989622197 /nfs/dbraw/zinc/62/21/97/989622197.db2.gz VYZRSBYRNYELHV-DYEKYZERSA-N 1 0 217.312 2.110 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[N@@H+](CC)C(C)C ZINC001520994666 989629852 /nfs/dbraw/zinc/62/98/52/989629852.db2.gz GZJFFDSMHXUBPH-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001120493410 989673788 /nfs/dbraw/zinc/67/37/88/989673788.db2.gz VSZXVVUHJFHXFG-SGMGOOAPSA-N 1 0 219.328 2.315 20 30 BEEDRO C=C[C@H](C)[NH2+]CCC(=O)Nc1ccccc1 ZINC001120493120 989674300 /nfs/dbraw/zinc/67/43/00/989674300.db2.gz SBKREUVOACDQKU-NSHDSACASA-N 1 0 218.300 2.179 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc2cnccc2o1 ZINC001326778861 989703893 /nfs/dbraw/zinc/70/38/93/989703893.db2.gz OYMMGQCKQWDZJF-NSHDSACASA-N 1 0 232.283 2.118 20 30 BEEDRO C=CC[NH2+]C1CC2(CC(NC(=O)C=C(C)C)C2)C1 ZINC001120571183 989736954 /nfs/dbraw/zinc/73/69/54/989736954.db2.gz SCXHDJYGAGBLPA-UHFFFAOYSA-N 1 0 248.370 2.156 20 30 BEEDRO CC#CC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001120582081 989753304 /nfs/dbraw/zinc/75/33/04/989753304.db2.gz FTLSYCWNOAWELD-UHFFFAOYSA-N 1 0 248.301 2.076 20 30 BEEDRO CCC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCC1 ZINC001120583886 989756400 /nfs/dbraw/zinc/75/64/00/989756400.db2.gz ZTVLGZWDFHXROR-LBPRGKRZSA-N 1 0 236.359 2.211 20 30 BEEDRO C#CCCCNC(=[NH2+])Nc1ccc(C)cc1 ZINC001326907800 989764617 /nfs/dbraw/zinc/76/46/17/989764617.db2.gz ZTKKVLNLGPKFSU-UHFFFAOYSA-N 1 0 215.300 2.345 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC001521894211 989814244 /nfs/dbraw/zinc/81/42/44/989814244.db2.gz VNLYROBVUDBEHG-GHMZBOCLSA-N 1 0 226.364 2.221 20 30 BEEDRO CCCCCCCNC(=O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001522148734 989833061 /nfs/dbraw/zinc/83/30/61/989833061.db2.gz HVNAUYMLDAUUCW-JSGCOSHPSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCC(C)(C)C=C ZINC001522151333 989833511 /nfs/dbraw/zinc/83/35/11/989833511.db2.gz PTBXNEWEEGWRKH-GFCCVEGCSA-N 1 0 238.375 2.389 20 30 BEEDRO C#Cc1ccc(NC[C@H](CC)[NH+]2CCCC2)nc1 ZINC001120804631 989888837 /nfs/dbraw/zinc/88/88/37/989888837.db2.gz MPZHRLHFVAZABH-AWEZNQCLSA-N 1 0 243.354 2.349 20 30 BEEDRO C=CC[NH2+]C1CC2(CC(NC(=O)/C(C)=C\C)C2)C1 ZINC001120906947 989957546 /nfs/dbraw/zinc/95/75/46/989957546.db2.gz BQXQICPIPQXKQN-WZUFQYTHSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[NH2+]C1CC2(CC(NC(=O)/C(C)=C/C)C2)C1 ZINC001120906946 989959321 /nfs/dbraw/zinc/95/93/21/989959321.db2.gz BQXQICPIPQXKQN-VZUCSPMQSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[C@H](CO)CNc1ccc(CC)cn1 ZINC001120914159 989963778 /nfs/dbraw/zinc/96/37/78/989963778.db2.gz LYTMZCSWXQMPKJ-LBPRGKRZSA-N 1 0 220.316 2.241 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CC[C@H]1CC ZINC001121979256 990163388 /nfs/dbraw/zinc/16/33/88/990163388.db2.gz VAPYSFRDQXHMHR-UPJWGTAASA-N 1 0 238.375 2.460 20 30 BEEDRO C=C(CC)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC001528433412 990288158 /nfs/dbraw/zinc/28/81/58/990288158.db2.gz GVTUXXAWQQJQRA-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(CC)C(=O)NCCC[N@H+](C)CC(C)C ZINC001528517520 990295668 /nfs/dbraw/zinc/29/56/68/990295668.db2.gz KFPVXWXTSRZLKC-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001122305541 990330290 /nfs/dbraw/zinc/33/02/90/990330290.db2.gz RFIBUYDWAWNQAI-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)[C@@H]1C[C@@H]1C ZINC001122937213 990466549 /nfs/dbraw/zinc/46/65/49/990466549.db2.gz DZFMFMMBSSWFAX-QWHCGFSZSA-N 1 0 240.391 2.319 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)CSC ZINC001123179321 990522231 /nfs/dbraw/zinc/52/22/31/990522231.db2.gz VITQMNXOLYZSEL-UHFFFAOYSA-N 1 0 246.420 2.026 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C(C)(C)C2CC2)CC1 ZINC001123348455 990553594 /nfs/dbraw/zinc/55/35/94/990553594.db2.gz ANXSNDCIHHWYBC-UHFFFAOYSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC001540129961 990593056 /nfs/dbraw/zinc/59/30/56/990593056.db2.gz OOLVDMGKPOJTCM-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC001123856043 990685467 /nfs/dbraw/zinc/68/54/67/990685467.db2.gz MNRWLWZSCRUZBU-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC001123924893 990706288 /nfs/dbraw/zinc/70/62/88/990706288.db2.gz QFDQLMHVPOMPQA-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[N@@H+](C)CC1CC1 ZINC001566482031 990761818 /nfs/dbraw/zinc/76/18/18/990761818.db2.gz XVWVZTNOYNRANT-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)NCC[NH2+][C@H](C)c1ccccc1 ZINC001124646579 990802036 /nfs/dbraw/zinc/80/20/36/990802036.db2.gz VARNHRMAJUWWIR-CYBMUJFWSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CCCC(C)(C)C ZINC001124787512 990807112 /nfs/dbraw/zinc/80/71/12/990807112.db2.gz BYPUGSPRWIRFRI-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[N@@H+](Cc1cnc(N)nc1)C1CCCCC1 ZINC001138169557 990896226 /nfs/dbraw/zinc/89/62/26/990896226.db2.gz MQARRSXKOVPGMI-UHFFFAOYSA-N 1 0 246.358 2.380 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2nccnc12 ZINC001138306216 990908850 /nfs/dbraw/zinc/90/88/50/990908850.db2.gz JHMRPLFFLPQNTQ-UHFFFAOYSA-N 1 0 213.284 2.248 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnsc1 ZINC001308387130 990978847 /nfs/dbraw/zinc/97/88/47/990978847.db2.gz BQGLLEAMLRSMQX-RYUDHWBXSA-N 1 0 238.356 2.214 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnsc1 ZINC001308387129 990979104 /nfs/dbraw/zinc/97/91/04/990979104.db2.gz BQGLLEAMLRSMQX-NWDGAFQWSA-N 1 0 238.356 2.214 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CCC[C@H](O)C2)c1O ZINC001138623495 990983950 /nfs/dbraw/zinc/98/39/50/990983950.db2.gz GZEVHYSHTMEFOY-AWEZNQCLSA-N 1 0 247.338 2.077 20 30 BEEDRO C=CCc1cccc(C[NH+]2CC=CC2)c1O ZINC001138625549 990985105 /nfs/dbraw/zinc/98/51/05/990985105.db2.gz OGEJQSUYHRQSFX-UHFFFAOYSA-N 1 0 215.296 2.493 20 30 BEEDRO CNc1ncccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001138692511 991008274 /nfs/dbraw/zinc/00/82/74/991008274.db2.gz AUBYRVJNVCJISO-LBPRGKRZSA-N 1 0 244.342 2.249 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC001308507609 991013175 /nfs/dbraw/zinc/01/31/75/991013175.db2.gz RYZZYPSLDKGCRL-CQSZACIVSA-N 1 0 243.306 2.297 20 30 BEEDRO CCOC(=O)CCC[C@@H](C)N[C@@](C)(C#N)CC ZINC001258106519 991016068 /nfs/dbraw/zinc/01/60/68/991016068.db2.gz DIAYDIYGIHPKIT-DGCLKSJQSA-N 1 0 240.347 2.390 20 30 BEEDRO CC[N@@H+]1CCN(c2cc(F)ccc2C#N)C[C@@H]1C ZINC001559141906 991043648 /nfs/dbraw/zinc/04/36/48/991043648.db2.gz NLUJRHCAIHCEBV-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO N#C[C@@H]1CCCN(Cc2cccnc2F)CC1 ZINC001138787101 991053526 /nfs/dbraw/zinc/05/35/26/991053526.db2.gz CCLRPFYUGRYGAE-LLVKDONJSA-N 1 0 233.290 2.346 20 30 BEEDRO C[C@H](Cc1ccco1)NC(=[NH2+])c1ccc(F)cn1 ZINC001258180262 991077826 /nfs/dbraw/zinc/07/78/26/991077826.db2.gz KAMOWTRLYUTFDR-SECBINFHSA-N 1 0 247.273 2.150 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ncc(C#N)s1 ZINC001258180835 991079799 /nfs/dbraw/zinc/07/97/99/991079799.db2.gz DYDYRXOGEYGIBE-VIFPVBQESA-N 1 0 247.323 2.329 20 30 BEEDRO C=CCN1CC[NH+]([C@@H](C)Cc2ccco2)CC1 ZINC001258193814 991108116 /nfs/dbraw/zinc/10/81/16/991108116.db2.gz WDQPBNQMKSTGIL-ZDUSSCGKSA-N 1 0 234.343 2.014 20 30 BEEDRO CSCC[C@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258223048 991152165 /nfs/dbraw/zinc/15/21/65/991152165.db2.gz UYYWWIBCBVDLRD-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO CSCC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001258223046 991154087 /nfs/dbraw/zinc/15/40/87/991154087.db2.gz UYYWWIBCBVDLRD-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2OC)C1 ZINC001139143473 991162204 /nfs/dbraw/zinc/16/22/04/991162204.db2.gz SKGVNCIDTCQELV-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc2c1ccn2C ZINC001139159688 991169699 /nfs/dbraw/zinc/16/96/99/991169699.db2.gz NOJDKNYGOMPVID-UHFFFAOYSA-N 1 0 212.296 2.243 20 30 BEEDRO C#CC[NH+](CC#C)Cc1cccc2c1ccn2C ZINC001139163483 991174950 /nfs/dbraw/zinc/17/49/50/991174950.db2.gz LGXKFNBHCLGUFL-UHFFFAOYSA-N 1 0 236.318 2.247 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCC(=O)N1)C1CCCCC1 ZINC001202904496 991176973 /nfs/dbraw/zinc/17/69/73/991176973.db2.gz VPMOZKPQEVGWLZ-LBPRGKRZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001308863430 991184418 /nfs/dbraw/zinc/18/44/18/991184418.db2.gz HMESQYYGBQVAKH-AVGNSLFASA-N 1 0 209.333 2.357 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001559639060 991193325 /nfs/dbraw/zinc/19/33/25/991193325.db2.gz XVXGAZDUHQJWAR-MELADBBJSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccn(CC)n2)C1 ZINC001308881480 991193549 /nfs/dbraw/zinc/19/35/49/991193549.db2.gz XANPNIUHBGOPPS-LBPRGKRZSA-N 1 0 219.332 2.301 20 30 BEEDRO SC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001139224352 991201249 /nfs/dbraw/zinc/20/12/49/991201249.db2.gz DDVAUCYDAPCEFX-UHFFFAOYSA-N 1 0 249.339 2.117 20 30 BEEDRO C#C[C@@H](CO)[NH2+]CC[C@H](C)CCC=C(C)C ZINC001308883378 991202692 /nfs/dbraw/zinc/20/26/92/991202692.db2.gz RRKSOJFFBYGCOZ-KGLIPLIRSA-N 1 0 223.360 2.343 20 30 BEEDRO CC[C@@H]1CC[N@H+](CCO[C@H](C)C#N)[C@@H]1C ZINC001559769378 991250732 /nfs/dbraw/zinc/25/07/32/991250732.db2.gz NRQFZOPKCZJBFW-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C)CCC ZINC001317477003 991260710 /nfs/dbraw/zinc/26/07/10/991260710.db2.gz DHWJNSGEIYLOAJ-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO CC#CC[N@H+](C)C[C@](O)(c1ccccc1)C(C)C ZINC001559874108 991297466 /nfs/dbraw/zinc/29/74/66/991297466.db2.gz HAURVHNKSUCWRM-MRXNPFEDSA-N 1 0 245.366 2.485 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cnccc2OCC)C1 ZINC001139629337 991299181 /nfs/dbraw/zinc/29/91/81/991299181.db2.gz PIHRGNUSTKQJQO-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO N#Cc1ccc(F)c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001139649649 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991499926 /nfs/dbraw/zinc/49/99/26/991499926.db2.gz RAKMEAUPRBEIJL-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CC[N@H+](C)CCNC(=O)C1=CCCCCC1 ZINC001317444036 991512001 /nfs/dbraw/zinc/51/20/01/991512001.db2.gz HFSVMAILCDHGSM-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO CC(C)C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)C(=O)NO ZINC001258602885 991513713 /nfs/dbraw/zinc/51/37/13/991513713.db2.gz QYUMDAHRBAJADR-MNOVXSKESA-N 1 0 242.363 2.075 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@](C)(F)CCCC ZINC001317452071 991518598 /nfs/dbraw/zinc/51/85/98/991518598.db2.gz VDLACJHLDZUOSI-CYBMUJFWSA-N 1 0 244.354 2.139 20 30 BEEDRO N#Cc1ccc2[nH]cc(C[NH+]3CCC3)c2c1 ZINC001140110113 991519290 /nfs/dbraw/zinc/51/92/90/991519290.db2.gz BBAFDRHUDNOCBX-UHFFFAOYSA-N 1 0 211.268 2.245 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(O)cc2F)CC1 ZINC001140128569 991526216 /nfs/dbraw/zinc/52/62/16/991526216.db2.gz UBNCWINGYDJPPF-UHFFFAOYSA-N 1 0 233.286 2.377 20 30 BEEDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(C#N)cc1F ZINC001140136426 991536498 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CN(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001321181725 992477411 /nfs/dbraw/zinc/47/74/11/992477411.db2.gz NSEYDRAVLBFWPE-ZOBORPQBSA-N 1 0 235.375 2.141 20 30 BEEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)[nH]n1 ZINC001321178570 992478598 /nfs/dbraw/zinc/47/85/98/992478598.db2.gz NLZMJENJYYCQJE-UHFFFAOYSA-N 1 0 232.331 2.138 20 30 BEEDRO C=CCCc1ccccc1NC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC001573310973 992482373 /nfs/dbraw/zinc/48/23/73/992482373.db2.gz TYYNPOTWOYTFMC-BETUJISGSA-N 1 0 244.338 2.481 20 30 BEEDRO C#CCN(Cc1ccnn1C(C)C)CC1CC1 ZINC001321195327 992483435 /nfs/dbraw/zinc/48/34/35/992483435.db2.gz FCUZURRSXKMZAY-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC001570636892 992490697 /nfs/dbraw/zinc/49/06/97/992490697.db2.gz OSUIQGFHNQFJPE-RYUDHWBXSA-N 1 0 240.391 2.480 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC001321240049 992500812 /nfs/dbraw/zinc/50/08/12/992500812.db2.gz ACLFYRGIAMRMMY-UPJWGTAASA-N 1 0 241.375 2.371 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(F)F ZINC001570733468 992510860 /nfs/dbraw/zinc/51/08/60/992510860.db2.gz APAFWLBBLYQPOV-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001321355334 992523201 /nfs/dbraw/zinc/52/32/01/992523201.db2.gz OMLMGVVZLHRLKW-MGPQQGTHSA-N 1 0 235.375 2.000 20 30 BEEDRO CCCCCCCNC(=O)NCC[C@@H](C)[NH2+]C ZINC001261818197 992525668 /nfs/dbraw/zinc/52/56/68/992525668.db2.gz ONHPQXQGUKMBHT-GFCCVEGCSA-N 1 0 243.395 2.254 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CCCC)C1 ZINC001571087311 992530964 /nfs/dbraw/zinc/53/09/64/992530964.db2.gz UWJGJJHKFFNSTE-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)CC)C1 ZINC001571086865 992531544 /nfs/dbraw/zinc/53/15/44/992531544.db2.gz HYYOXIODYZUBDU-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)C1=CCCC1 ZINC001571243892 992535223 /nfs/dbraw/zinc/53/52/23/992535223.db2.gz NGFORPUEGOWLFU-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](F)CC ZINC001571400036 992549713 /nfs/dbraw/zinc/54/97/13/992549713.db2.gz CRCXFPPOZRXFPA-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001571401289 992550433 /nfs/dbraw/zinc/55/04/33/992550433.db2.gz AEUDGNCGNHIUBJ-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001571402535 992550523 /nfs/dbraw/zinc/55/05/23/992550523.db2.gz YHNJJNAPKPWYSI-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2CC(CC(=O)OC)C2)CC1 ZINC001261890932 992565555 /nfs/dbraw/zinc/56/55/55/992565555.db2.gz SZFXAOPKFGOCJL-DUPPUEJBSA-N 1 0 249.354 2.110 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC=C)C1 ZINC001571530904 992570235 /nfs/dbraw/zinc/57/02/35/992570235.db2.gz UTWJDXNFLOKWGG-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001571529611 992570684 /nfs/dbraw/zinc/57/06/84/992570684.db2.gz FGQUJGHMOCMEDC-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCC=CCC1 ZINC001262051584 992634652 /nfs/dbraw/zinc/63/46/52/992634652.db2.gz TUFBYFCQNNXPML-NSHDSACASA-N 1 0 242.750 2.071 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)NCCCC[NH3+] ZINC001262094789 992663055 /nfs/dbraw/zinc/66/30/55/992663055.db2.gz AJBJBKSPKULZTL-UHFFFAOYSA-N 1 0 241.379 2.017 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cccc2c1OCO2 ZINC001262203149 992800714 /nfs/dbraw/zinc/80/07/14/992800714.db2.gz MMZSQHFCCXSJFZ-GHMZBOCLSA-N 1 0 249.310 2.267 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC001262332832 992839082 /nfs/dbraw/zinc/83/90/82/992839082.db2.gz MOMCGIKGZMRAIN-RYUDHWBXSA-N 1 0 236.340 2.229 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001262335092 992840395 /nfs/dbraw/zinc/84/03/95/992840395.db2.gz QRYJRWKORVHISU-GFCCVEGCSA-N 1 0 245.326 2.210 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1c(C)cnn1COC ZINC001262369391 992863051 /nfs/dbraw/zinc/86/30/51/992863051.db2.gz DEOUYORCMKUECS-ZDUSSCGKSA-N 1 0 249.358 2.336 20 30 BEEDRO C#Cc1ccc(CNC[C@H]2CCCCC[NH2+]2)cc1 ZINC001574757320 992898153 /nfs/dbraw/zinc/89/81/53/992898153.db2.gz LHXXIOVUGNIMJT-MRXNPFEDSA-N 1 0 242.366 2.290 20 30 BEEDRO C#Cc1cccc(CN[C@@H]2CC[NH2+]C23CCC3)c1 ZINC001574766039 992899528 /nfs/dbraw/zinc/89/95/28/992899528.db2.gz LZKCSJKSOUQHQN-OAHLLOKOSA-N 1 0 240.350 2.042 20 30 BEEDRO C#Cc1ccc(NC2CC[NH2+]CC2)c(Cl)c1 ZINC001574756956 992899691 /nfs/dbraw/zinc/89/96/91/992899691.db2.gz IIZZZKQDEQHMMV-UHFFFAOYSA-N 1 0 234.730 2.485 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC001262566136 992919384 /nfs/dbraw/zinc/91/93/84/992919384.db2.gz HYHVLPUBDMHOID-GWCFXTLKSA-N 1 0 239.746 2.408 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC001262566441 992921647 /nfs/dbraw/zinc/92/16/47/992921647.db2.gz PYIFYTFKSOZCFO-PELKAZGASA-N 1 0 241.693 2.124 20 30 BEEDRO C=C(CC)C(=O)N1C[C@@H](C[NH3+])Cc2ccccc21 ZINC001574849196 992925311 /nfs/dbraw/zinc/92/53/11/992925311.db2.gz KRPGGYRNGNTEBP-GFCCVEGCSA-N 1 0 244.338 2.117 20 30 BEEDRO C=C(C)CCC(=O)N[C@]1(C[NH3+])CCCC[C@@H]1C ZINC001574835416 992925932 /nfs/dbraw/zinc/92/59/32/992925932.db2.gz NWBKJGUJUQVHJT-JSGCOSHPSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1=CCCCC1 ZINC001574852200 992927795 /nfs/dbraw/zinc/92/77/95/992927795.db2.gz QWBXLGJFNQOTGN-LLVKDONJSA-N 1 0 242.750 2.073 20 30 BEEDRO C=C1CCC(C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC001574860437 992929443 /nfs/dbraw/zinc/92/94/43/992929443.db2.gz ZRRZPAAMTDKIEJ-HIFRSBDPSA-N 1 0 248.370 2.134 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001574872484 992931923 /nfs/dbraw/zinc/93/19/23/992931923.db2.gz MZXODUBCZNKNEA-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001574872342 992932815 /nfs/dbraw/zinc/93/28/15/992932815.db2.gz KEPQNPDJEJKQPD-TVYUQYBPSA-N 1 0 245.326 2.197 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001574881380 992935358 /nfs/dbraw/zinc/93/53/58/992935358.db2.gz CIBGVFPKYXKAFI-UPJWGTAASA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC[NH2+][C@@H]1CNCC[C@@H]1c1ccccc1 ZINC001574915960 992943996 /nfs/dbraw/zinc/94/39/96/992943996.db2.gz NBJQNUDXDRWIQH-HUUCEWRRSA-N 1 0 230.355 2.298 20 30 BEEDRO C#Cc1ccc(NC[C@H](C)C[NH+]2CCCC2)nc1 ZINC001262679681 993020588 /nfs/dbraw/zinc/02/05/88/993020588.db2.gz YFKAKLLJFWAFLN-ZDUSSCGKSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001263086928 993105568 /nfs/dbraw/zinc/10/55/68/993105568.db2.gz SEOWBHKSCMOKKH-AAEUAGOBSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC001263144872 993132370 /nfs/dbraw/zinc/13/23/70/993132370.db2.gz BNYKVFPJENVQBU-RYUDHWBXSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCn1ccnc1C ZINC000379938950 993299128 /nfs/dbraw/zinc/29/91/28/993299128.db2.gz YKBQKNULCNPNNS-NSHDSACASA-N 1 0 207.321 2.136 20 30 BEEDRO C=CC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000381381710 993391573 /nfs/dbraw/zinc/39/15/73/993391573.db2.gz LLDJIJMFXYZQDZ-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(=O)OC ZINC000381429410 993393663 /nfs/dbraw/zinc/39/36/63/993393663.db2.gz BCOXWSQBRPMBSJ-SRVKXCTJSA-N 1 0 225.332 2.272 20 30 BEEDRO C=C[C@H](C(=O)NCCC[NH+](C)C)c1ccccc1 ZINC001263699876 993468290 /nfs/dbraw/zinc/46/82/90/993468290.db2.gz CCIZJFIBINLQHO-AWEZNQCLSA-N 1 0 246.354 2.024 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC001263754218 993490523 /nfs/dbraw/zinc/49/05/23/993490523.db2.gz HNFSBZUOGCHZLL-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001263840679 993548027 /nfs/dbraw/zinc/54/80/27/993548027.db2.gz OIUBTWNUIDIBFM-GJRRHXBRSA-N 1 0 248.370 2.179 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(C)[nH+]c(C)c1 ZINC000384155365 993551686 /nfs/dbraw/zinc/55/16/86/993551686.db2.gz IFEMACVTWSYNCX-ZDUSSCGKSA-N 1 0 202.301 2.334 20 30 BEEDRO C=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC ZINC001263945908 993618358 /nfs/dbraw/zinc/61/83/58/993618358.db2.gz MBJJSKWMTSOXEF-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)CCC)C1 ZINC001264413047 993722223 /nfs/dbraw/zinc/72/22/23/993722223.db2.gz JJVUIHNXDOGZGC-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001264418057 993724142 /nfs/dbraw/zinc/72/41/42/993724142.db2.gz HJCHFLCGVDZQKT-DMHDXMIESA-N 1 0 236.359 2.013 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H](CC)CCC=C ZINC000389898649 993759116 /nfs/dbraw/zinc/75/91/16/993759116.db2.gz AKAJFXWWIGQWBU-QWHCGFSZSA-N 1 0 209.333 2.095 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000390760201 993802883 /nfs/dbraw/zinc/80/28/83/993802883.db2.gz LZDINDRDWFAISY-ONGXEEELSA-N 1 0 231.324 2.402 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[N@@H+](C)CCC ZINC001265019952 993808279 /nfs/dbraw/zinc/80/82/79/993808279.db2.gz RHIHWWGHNCMHTP-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C(C)C ZINC001265080009 993812688 /nfs/dbraw/zinc/81/26/88/993812688.db2.gz NFNFSFRMEHLQLL-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](CC)CCCNC(=O)/C=C(\C)CC ZINC001265111645 993815582 /nfs/dbraw/zinc/81/55/82/993815582.db2.gz ARBCTWUXOUHZSJ-OUKQBFOZSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)C(C)C)C1 ZINC001265227384 993819686 /nfs/dbraw/zinc/81/96/86/993819686.db2.gz UQMXMLHTSNQUTB-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](C[C@H](C)CC)C1 ZINC001265276060 993828924 /nfs/dbraw/zinc/82/89/24/993828924.db2.gz YIMBXQHXYHSLNY-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H]2C)cc1C#N ZINC000700722632 993849569 /nfs/dbraw/zinc/84/95/69/993849569.db2.gz QXACAFCANBESGD-LLVKDONJSA-N 1 0 200.285 2.461 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C(C)C)C1 ZINC001265480358 993864937 /nfs/dbraw/zinc/86/49/37/993864937.db2.gz VBXYCQOFYUTPRS-HAQNSBGRSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)CC)C1 ZINC001265596845 993886038 /nfs/dbraw/zinc/88/60/38/993886038.db2.gz LKXCHIFYYCABQM-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C1=CCCC1 ZINC001265666486 993890808 /nfs/dbraw/zinc/89/08/08/993890808.db2.gz YICXPKWYZLJGDG-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCCCN1C(=O)CC ZINC001265660150 993891860 /nfs/dbraw/zinc/89/18/60/993891860.db2.gz PEGZEBKZIPLJOT-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)C1=CCCC1 ZINC001265666487 993892440 /nfs/dbraw/zinc/89/24/40/993892440.db2.gz YICXPKWYZLJGDG-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)CCC ZINC000393020600 993893433 /nfs/dbraw/zinc/89/34/33/993893433.db2.gz LCRZUNJNBYUBJQ-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000701702472 993904823 /nfs/dbraw/zinc/90/48/23/993904823.db2.gz RTDHGJWNUSJPPW-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2C)cc1C#N ZINC000701827935 993914319 /nfs/dbraw/zinc/91/43/19/993914319.db2.gz SMAQSINVSQSDCV-GXTWGEPZSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000701854896 993925657 /nfs/dbraw/zinc/92/56/57/993925657.db2.gz VKULAATVEBCDQA-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO COC1CC(C[NH2+]Cc2ccc(C)c(C#N)c2)C1 ZINC000701858423 993925885 /nfs/dbraw/zinc/92/58/85/993925885.db2.gz KJQPDJFLTADERT-UHFFFAOYSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001265756304 993930397 /nfs/dbraw/zinc/93/03/97/993930397.db2.gz BWKTVPZGNAOTLE-LMMOQWNQSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)/C=C(\C)C1CC1 ZINC001265756307 993931160 /nfs/dbraw/zinc/93/11/60/993931160.db2.gz BWKTVPZGNAOTLE-ZKQHCESOSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@H](C)CC ZINC001265768918 993938412 /nfs/dbraw/zinc/93/84/12/993938412.db2.gz KTLPGAMXQOIKAZ-KOLCDFICSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C1(CC=C)CCC1 ZINC001265821771 993951333 /nfs/dbraw/zinc/95/13/33/993951333.db2.gz ZOLSGQOIPUEFPQ-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C(C)(C)C ZINC001265852620 993961758 /nfs/dbraw/zinc/96/17/58/993961758.db2.gz GLVREWQOEOHKQY-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[N@@H+](C)CCCC ZINC001265902862 993974356 /nfs/dbraw/zinc/97/43/56/993974356.db2.gz WQHKOGDKMGLOCM-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001265901551 993975555 /nfs/dbraw/zinc/97/55/55/993975555.db2.gz YXELQECNYWCNFX-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000702284147 993978940 /nfs/dbraw/zinc/97/89/40/993978940.db2.gz DMFJYYRBJUXECS-ZIAGYGMSSA-N 1 0 231.339 2.358 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000702311187 993983268 /nfs/dbraw/zinc/98/32/68/993983268.db2.gz NXESNKICEFSVSI-UONOGXRCSA-N 1 0 249.329 2.497 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001265955178 993990553 /nfs/dbraw/zinc/99/05/53/993990553.db2.gz VFLPJWBRYLNPFG-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(C)CCNc1cc[nH+]c(CC#N)c1 ZINC000393776721 994007875 /nfs/dbraw/zinc/00/78/75/994007875.db2.gz YGTPUHRTZNLUBC-UHFFFAOYSA-N 1 0 217.316 2.418 20 30 BEEDRO C=CCC[N@H+](CC)CCCNC(=O)[C@H]1C[C@H]1C ZINC001266017096 994012650 /nfs/dbraw/zinc/01/26/50/994012650.db2.gz MMJYZUXSJZUMEF-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCCNC(=O)C(C)C ZINC001266019514 994014458 /nfs/dbraw/zinc/01/44/58/994014458.db2.gz HRTZTGSILIVBIH-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)CC1(C)CC1 ZINC001266160681 994050121 /nfs/dbraw/zinc/05/01/21/994050121.db2.gz IMOKXIYKDJCACY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(C)=O ZINC001279531240 994071984 /nfs/dbraw/zinc/07/19/84/994071984.db2.gz ZZYDSEXTXDFEKD-KGLIPLIRSA-N 1 0 236.359 2.038 20 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2.189 20 30 BEEDRO C=CCC[NH2+][C@H]1CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001281457508 994162079 /nfs/dbraw/zinc/16/20/79/994162079.db2.gz IYPNCYUXQZQISI-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C=C(C)C)C1 ZINC001316610748 994162122 /nfs/dbraw/zinc/16/21/22/994162122.db2.gz VXTAWVBFTQTFKP-BETUJISGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCCC ZINC001282097936 994194847 /nfs/dbraw/zinc/19/48/47/994194847.db2.gz ULVYIBHXJLLAEF-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C=C(C)C ZINC001282086438 994202329 /nfs/dbraw/zinc/20/23/29/994202329.db2.gz NQJBHIUJDVOUPR-WDEREUQCSA-N 1 0 244.766 2.188 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001282170421 994210142 /nfs/dbraw/zinc/21/01/42/994210142.db2.gz YKPZUFDWTIXCHY-MNOVXSKESA-N 1 0 238.375 2.091 20 30 BEEDRO C#CCCCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC ZINC001282166710 994210263 /nfs/dbraw/zinc/21/02/63/994210263.db2.gz HKUNWUGVEVXZSE-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC ZINC001282168718 994210913 /nfs/dbraw/zinc/21/09/13/994210913.db2.gz RWJAGVFSTQHSBX-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC ZINC001282168720 994210965 /nfs/dbraw/zinc/21/09/65/994210965.db2.gz RWJAGVFSTQHSBX-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001282383875 994235479 /nfs/dbraw/zinc/23/54/79/994235479.db2.gz GFPCGCLHSCHYQW-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CCC(C)C)C1 ZINC001283012487 994258696 /nfs/dbraw/zinc/25/86/96/994258696.db2.gz GJOXYWANGSFSAJ-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)C(C)C ZINC001283132951 994263589 /nfs/dbraw/zinc/26/35/89/994263589.db2.gz DXNISRDGSUZKRL-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H](F)CC ZINC001283215358 994269193 /nfs/dbraw/zinc/26/91/93/994269193.db2.gz VMLUUCRIVDUCNT-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1=CCCC1 ZINC001283593821 994284958 /nfs/dbraw/zinc/28/49/58/994284958.db2.gz FMOVMXYDSORQBK-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001283676673 994287110 /nfs/dbraw/zinc/28/71/10/994287110.db2.gz CXPNLXNWMFUONQ-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC ZINC001283678938 994287254 /nfs/dbraw/zinc/28/72/54/994287254.db2.gz JUPIHYQCTDBGFH-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C[C@@H](C=C)CC ZINC001283666066 994288230 /nfs/dbraw/zinc/28/82/30/994288230.db2.gz OKDRTVLLISFWLK-OLZOCXBDSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]C(C)C ZINC001283680885 994288537 /nfs/dbraw/zinc/28/85/37/994288537.db2.gz QUCWOPVOSYUNRV-GFCCVEGCSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CCCC)[C@H]1C ZINC001284117533 994320926 /nfs/dbraw/zinc/32/09/26/994320926.db2.gz GFVKMHAIFZYHHX-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+](C)CCN(C(=O)C1CCC1)C(C)C ZINC001284519386 994350990 /nfs/dbraw/zinc/35/09/90/994350990.db2.gz JGRPKQGHUVOYNN-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+]C1CC(N(C)C(=O)C(C)C)C1 ZINC001284740692 994355601 /nfs/dbraw/zinc/35/56/01/994355601.db2.gz OAQWJAMQBVIGJK-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[NH+](CC)C1CCN([C@@H](C)CCC#N)CC1 ZINC000829179360 994571897 /nfs/dbraw/zinc/57/18/97/994571897.db2.gz LVLSUWQKNGDWGU-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](CCC)Cc1ccccc1 ZINC001334386331 994587966 /nfs/dbraw/zinc/58/79/66/994587966.db2.gz ZBOJCHNTTLEANM-HOTGVXAUSA-N 1 0 245.366 2.372 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CCC)Cc1ccccc1 ZINC001334386340 994590149 /nfs/dbraw/zinc/59/01/49/994590149.db2.gz ZBOJCHNTTLEANM-JKSUJKDBSA-N 1 0 245.366 2.372 20 30 BEEDRO C=C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001294989461 994724260 /nfs/dbraw/zinc/72/42/60/994724260.db2.gz VNMZFRCTLQHPLW-NSHDSACASA-N 1 0 248.326 2.180 20 30 BEEDRO C=CCC1(C(=O)NC[C@H](C)[NH2+]C(C)C)CCC1 ZINC001491578296 994985775 /nfs/dbraw/zinc/98/57/75/994985775.db2.gz GIHXNPJLVIWPGH-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)CCC ZINC001491624858 994988539 /nfs/dbraw/zinc/98/85/39/994988539.db2.gz OTDHWNFNWGGUNI-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1CC ZINC001491585819 994989324 /nfs/dbraw/zinc/98/93/24/994989324.db2.gz SQLHTDOFDXZBDF-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)CCC ZINC001491624861 994991679 /nfs/dbraw/zinc/99/16/79/994991679.db2.gz OTDHWNFNWGGUNI-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC=C)C1 ZINC001491867222 995009868 /nfs/dbraw/zinc/00/98/68/995009868.db2.gz ARDCIOHQMZNPLX-STQMWFEESA-N 1 0 236.359 2.156 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]([N@H+](C)CC=C)C1 ZINC001491909953 995010724 /nfs/dbraw/zinc/01/07/24/995010724.db2.gz ILGCWGVMMOFTIX-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)c1cccc(C)c1 ZINC001491977744 995013909 /nfs/dbraw/zinc/01/39/09/995013909.db2.gz WMIMDVWDOAHIAS-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CCCC(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001491992380 995016666 /nfs/dbraw/zinc/01/66/66/995016666.db2.gz SHKAXZCUIDMBRH-AYLMVEPYSA-N 1 0 244.766 2.190 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)/C(C)=C\C ZINC001492004924 995017823 /nfs/dbraw/zinc/01/78/23/995017823.db2.gz IIAAURQSLJDERE-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)C=C1CCC1 ZINC001492005597 995018174 /nfs/dbraw/zinc/01/81/74/995018174.db2.gz OPMQWZIVBRPDAC-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)[C@](C)(C=C)CC ZINC001492077294 995019875 /nfs/dbraw/zinc/01/98/75/995019875.db2.gz DBTRUHBGHGGDKC-TZMCWYRMSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)C(C)(C)CCC ZINC001492398791 995054060 /nfs/dbraw/zinc/05/40/60/995054060.db2.gz PYOAYXRTRJFVQD-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]C[C@H](C#N)CCC#N ZINC001336785295 995105237 /nfs/dbraw/zinc/10/52/37/995105237.db2.gz YHAZCURCEQVAEL-BDAKNGLRSA-N 1 0 233.237 2.360 20 30 BEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1cc(F)ccc1C#N ZINC001307130572 995294263 /nfs/dbraw/zinc/29/42/63/995294263.db2.gz RVFWEXFAHFUONW-ZWNOBZJWSA-N 1 0 247.317 2.226 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC001307422313 995349807 /nfs/dbraw/zinc/34/98/07/995349807.db2.gz KETIURKJYAHPRU-KGLIPLIRSA-N 1 0 245.370 2.401 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCNC(=O)C1CC1 ZINC001307485996 995380076 /nfs/dbraw/zinc/38/00/76/995380076.db2.gz QZCBQJFNUPTMDT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)C[C@H]1C ZINC001307589080 995409452 /nfs/dbraw/zinc/40/94/52/995409452.db2.gz JYROVHVOYOKYSO-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@H]1[C@@H](O)CC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC001307774361 995459079 /nfs/dbraw/zinc/45/90/79/995459079.db2.gz DMQBMDRVZRTZAI-FZMZJTMJSA-N 1 0 249.741 2.147 20 30 BEEDRO CCCCCCCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC001307834300 995477987 /nfs/dbraw/zinc/47/79/87/995477987.db2.gz FARSNWZZUOLFFJ-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(CC(C)(F)F)CC1 ZINC001308106475 995536918 /nfs/dbraw/zinc/53/69/18/995536918.db2.gz CQUWSANOPZXJKT-LLVKDONJSA-N 1 0 232.318 2.224 20 30 BEEDRO C[C@H](CCC#N)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001308077072 995544995 /nfs/dbraw/zinc/54/49/95/995544995.db2.gz HUHFPPVJADUMEF-GHMZBOCLSA-N 1 0 232.331 2.096 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 ZINC001308118516 995557191 /nfs/dbraw/zinc/55/71/91/995557191.db2.gz IGUBXWBVAUCIMW-AIEDFZFUSA-N 1 0 235.371 2.291 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1(C)CC1 ZINC001308134528 995561534 /nfs/dbraw/zinc/56/15/34/995561534.db2.gz BWYUWZAUSBOQDW-RYUDHWBXSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C1(C)CC1 ZINC001308134530 995562895 /nfs/dbraw/zinc/56/28/95/995562895.db2.gz BWYUWZAUSBOQDW-VXGBXAGGSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1Cc1cnc[nH]1 ZINC001308138353 995567253 /nfs/dbraw/zinc/56/72/53/995567253.db2.gz XHULTFXWOOCAGU-GFCCVEGCSA-N 1 0 205.305 2.340 20 30 BEEDRO CC(C)[C@H](CO)[NH2+]CCC1(C#N)CCCCC1 ZINC001308173119 995591637 /nfs/dbraw/zinc/59/16/37/995591637.db2.gz DMGKCXUWSFUULP-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN(Cc2ccc(C#N)cc2)C1 ZINC001308175768 995592715 /nfs/dbraw/zinc/59/27/15/995592715.db2.gz HQGPCYGINSSEGK-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)C=C2CCC2)CCC1 ZINC001501937189 1170053052 /nfs/dbraw/zinc/05/30/52/1170053052.db2.gz KAHKCDRIFNDYEO-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)C ZINC001566929417 1170091490 /nfs/dbraw/zinc/09/14/90/1170091490.db2.gz ZROUULHNNNPEJH-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@H](C)CC)CCCC1 ZINC001568230351 1170100006 /nfs/dbraw/zinc/10/00/06/1170100006.db2.gz FWIGUWMPQYHSAE-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC[C@@H](C)NC(C)=O ZINC001571203718 1170109626 /nfs/dbraw/zinc/10/96/26/1170109626.db2.gz QRUKGANYSCXMJC-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC[C@H](C)NC(C)=O ZINC001571203717 1170108665 /nfs/dbraw/zinc/10/86/65/1170108665.db2.gz QRUKGANYSCXMJC-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC[C@H](C)NC(C)=O ZINC001571203719 1170108922 /nfs/dbraw/zinc/10/89/22/1170108922.db2.gz QRUKGANYSCXMJC-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H](C)[NH2+]CCCF ZINC001571390098 1170110030 /nfs/dbraw/zinc/11/00/30/1170110030.db2.gz ZFGXVVMPMYZTQR-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000019424974 1170125533 /nfs/dbraw/zinc/12/55/33/1170125533.db2.gz FQYDVAVZEHAFQB-CYBMUJFWSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@@H]2CCOC2)c1 ZINC001620719635 1170149585 /nfs/dbraw/zinc/14/95/85/1170149585.db2.gz GFWNGZWVEZGKIE-AWEZNQCLSA-N 1 0 247.338 2.378 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc3c[nH]nc32)C1 ZINC001620978848 1170178448 /nfs/dbraw/zinc/17/84/48/1170178448.db2.gz AOSSOICMRCDTQQ-GXFFZTMASA-N 1 0 240.310 2.345 20 30 BEEDRO CC[N@@H+]1CCN(c2cc(F)ccc2C#N)[C@@H](C)C1 ZINC001612370860 1170456090 /nfs/dbraw/zinc/45/60/90/1170456090.db2.gz NFUIJCSTOHKFCE-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@@H](C)CC)C1=O ZINC001617562255 1170595263 /nfs/dbraw/zinc/59/52/63/1170595263.db2.gz PNAJGOGJUHUSAM-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H]1C[C@H]1CC ZINC001617604034 1170596600 /nfs/dbraw/zinc/59/66/00/1170596600.db2.gz NBVDRGFSRXQKAR-KGLIPLIRSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001617571774 1170596754 /nfs/dbraw/zinc/59/67/54/1170596754.db2.gz MVXOPHYJADQPMY-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccc(C)nc1 ZINC001617604060 1170598518 /nfs/dbraw/zinc/59/85/18/1170598518.db2.gz NQBTVFQMGSVYIJ-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC001618676786 1170647223 /nfs/dbraw/zinc/64/72/23/1170647223.db2.gz MGOLJDNXUAKXQB-GFCCVEGCSA-N 1 0 222.332 2.060 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]1Cc1ccnn1C ZINC001620683695 1170701140 /nfs/dbraw/zinc/70/11/40/1170701140.db2.gz PHTOUDQAZDIYLB-ZDUSSCGKSA-N 1 0 219.332 2.003 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCOCC2)C1 ZINC001621102581 1170717472 /nfs/dbraw/zinc/71/74/72/1170717472.db2.gz RMZBMSLNHSTPJL-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C1CCC(C[NH2+]C2CC(C(=O)OC)C2)CC1 ZINC001621517415 1170834863 /nfs/dbraw/zinc/83/48/63/1170834863.db2.gz FARFPQSHDPDSAA-UHFFFAOYSA-N 1 0 237.343 2.274 20 30 BEEDRO C=CC[NH2+]C[C@H](O)COC[C@@H](CC)CCCC ZINC000037851934 1170980439 /nfs/dbraw/zinc/98/04/39/1170980439.db2.gz KDXTVXWHMUMPDW-KBPBESRZSA-N 1 0 243.391 2.356 20 30 BEEDRO C=CC(C)(C)CNC(=O)C1([NH+](C)C)CCCC1 ZINC001624004995 1170996097 /nfs/dbraw/zinc/99/60/97/1170996097.db2.gz AUBZFKAVFRAVHG-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1C(C)C ZINC001627959426 1171194766 /nfs/dbraw/zinc/19/47/66/1171194766.db2.gz KDBIYHSBNXSGNM-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(F)c1 ZINC000186688696 136207391 /nfs/dbraw/zinc/20/73/91/136207391.db2.gz XCDJBYYWLWHUII-MFKMUULPSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234833833 136210386 /nfs/dbraw/zinc/21/03/86/136210386.db2.gz IFGBLIIYFCJMKG-UHFFFAOYSA-N 1 0 216.284 2.233 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000130141608 136211832 /nfs/dbraw/zinc/21/18/32/136211832.db2.gz IDZWHAYWIMJMLV-NXEZZACHSA-N 1 0 207.321 2.408 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000122965785 398145728 /nfs/dbraw/zinc/14/57/28/398145728.db2.gz WSQAZBMDFMIRMU-IUCAKERBSA-N 1 0 205.305 2.319 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000272408281 398147360 /nfs/dbraw/zinc/14/73/60/398147360.db2.gz GBHCKCDOBHENEQ-GFCCVEGCSA-N 1 0 230.311 2.411 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000649322003 398144118 /nfs/dbraw/zinc/14/41/18/398144118.db2.gz VIBSKCORCBGEBD-HZPDHXFCSA-N 1 0 245.366 2.488 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626175877 346813629 /nfs/dbraw/zinc/81/36/29/346813629.db2.gz AIUGQJCMNQUCFM-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)o1)C[C@H](C)OC ZINC000291012914 349484416 /nfs/dbraw/zinc/48/44/16/349484416.db2.gz BGNOAKPNIPWBDM-JTQLQIEISA-N 1 0 222.288 2.008 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)c1ccccc1Cl)C1CC1 ZINC000274160588 398150535 /nfs/dbraw/zinc/15/05/35/398150535.db2.gz MEKSZNLYIFUMIB-AWEZNQCLSA-N 1 0 249.741 2.471 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](CO)C(C)C)ccc1C#N ZINC000342197012 178022113 /nfs/dbraw/zinc/02/21/13/178022113.db2.gz BEIVOLCRKWGHGK-HNNXBMFYSA-N 1 0 246.354 2.221 20 30 BEEDRO Cc1cc(C[NH2+]C2CCC(O)CC2)ccc1C#N ZINC000336542007 178019072 /nfs/dbraw/zinc/01/90/72/178019072.db2.gz BEGIBQWUPWSYED-UHFFFAOYSA-N 1 0 244.338 2.260 20 30 BEEDRO Cc1cc(C[NH2+]CC2CC2)ccc1C#N ZINC000309204553 178020623 /nfs/dbraw/zinc/02/06/23/178020623.db2.gz RUFOKSDYXQDLKG-UHFFFAOYSA-N 1 0 200.285 2.366 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000649900570 398170670 /nfs/dbraw/zinc/17/06/70/398170670.db2.gz KFUPPMLJXNGRPF-AWEZNQCLSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CC[NH+]1CCC(C(=O)NCCCCC)CC1 ZINC000051801255 398173565 /nfs/dbraw/zinc/17/35/65/398173565.db2.gz MPHJNPZURHFSRN-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)nn1 ZINC000424291692 398180253 /nfs/dbraw/zinc/18/02/53/398180253.db2.gz FCWSCLNQPFBTMD-YRGRVCCFSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1ccn(C)n1 ZINC000424294265 398181175 /nfs/dbraw/zinc/18/11/75/398181175.db2.gz KDJJTNWKNXYDLL-SCRDCRAPSA-N 1 0 249.358 2.052 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000649349091 398162060 /nfs/dbraw/zinc/16/20/60/398162060.db2.gz ASMBRYSUBDQQSK-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](CCC)C1 ZINC000649350064 398162927 /nfs/dbraw/zinc/16/29/27/398162927.db2.gz ZYYAGAVGXZPSNP-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000649885779 398164875 /nfs/dbraw/zinc/16/48/75/398164875.db2.gz AKEUXMCWAXCVIW-KHMAMNHCSA-N 1 0 233.355 2.067 20 30 BEEDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000543762118 398191551 /nfs/dbraw/zinc/19/15/51/398191551.db2.gz ABRDICIPYMQQPH-MWLCHTKSSA-N 1 0 236.290 2.119 20 30 BEEDRO CC#CC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000179740622 192027135 /nfs/dbraw/zinc/02/71/35/192027135.db2.gz YRBUEZHIIJLHDQ-AWEZNQCLSA-N 1 0 217.312 2.113 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(O)CC(OCC)C1 ZINC000446832514 201697063 /nfs/dbraw/zinc/69/70/63/201697063.db2.gz BSZNXXZGZBVHRI-FEPKRQSRSA-N 1 0 241.375 2.107 20 30 BEEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000181057635 136218342 /nfs/dbraw/zinc/21/83/42/136218342.db2.gz PMNLHHFMQMCEQO-ZDUSSCGKSA-N 1 0 217.316 2.466 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000336737129 136218872 /nfs/dbraw/zinc/21/88/72/136218872.db2.gz JDGHGVLEMSTMMG-MWLCHTKSSA-N 1 0 233.302 2.337 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000336736726 136218917 /nfs/dbraw/zinc/21/89/17/136218917.db2.gz PPRMMPAIYPQFHY-STQMWFEESA-N 1 0 200.285 2.293 20 30 BEEDRO CCOCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000382801433 398202398 /nfs/dbraw/zinc/20/23/98/398202398.db2.gz SHGOXVNHIMSDHW-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000335543875 398206066 /nfs/dbraw/zinc/20/60/66/398206066.db2.gz LDVFVXPAEXEYFY-SWLSCSKDSA-N 1 0 244.338 2.009 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000649406110 398206396 /nfs/dbraw/zinc/20/63/96/398206396.db2.gz XNLGSFSEAMMUHV-GFCCVEGCSA-N 1 0 234.347 2.308 20 30 BEEDRO C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000335543874 398206420 /nfs/dbraw/zinc/20/64/20/398206420.db2.gz LDVFVXPAEXEYFY-IUODEOHRSA-N 1 0 244.338 2.009 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCCO1 ZINC000336753059 136220293 /nfs/dbraw/zinc/22/02/93/136220293.db2.gz WEQPYOUGQWBELX-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO N#CCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000336736719 136218813 /nfs/dbraw/zinc/21/88/13/136218813.db2.gz PPRMMPAIYPQFHY-CHWSQXEVSA-N 1 0 200.285 2.293 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336756533 136220438 /nfs/dbraw/zinc/22/04/38/136220438.db2.gz HCWWHWSUXOBGLN-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000194688431 136221129 /nfs/dbraw/zinc/22/11/29/136221129.db2.gz ITUNQRXKROVNHX-BIMULSAOSA-N 1 0 249.333 2.384 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336773943 136221443 /nfs/dbraw/zinc/22/14/43/136221443.db2.gz ZCCPEUQFSYHVRJ-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000175133358 166171777 /nfs/dbraw/zinc/17/17/77/166171777.db2.gz RORRYEMIVCXTTN-ZDUSSCGKSA-N 1 0 202.301 2.185 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000650025646 398220975 /nfs/dbraw/zinc/22/09/75/398220975.db2.gz YVVPWHCGJJVCEO-GLQYFDAESA-N 1 0 235.371 2.175 20 30 BEEDRO CN(Cc1ccc(C#N)cc1F)[C@@H]1CCCOC1 ZINC000335704707 398222274 /nfs/dbraw/zinc/22/22/74/398222274.db2.gz CKTBNRPSXRYHLN-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCO[C@@H]1c1c(C)nn(C)c1C ZINC000341965291 136222577 /nfs/dbraw/zinc/22/25/77/136222577.db2.gz CWZUJMVSXKUCQS-OCCSQVGLSA-N 1 0 249.358 2.033 20 30 BEEDRO Cc1cc(N[C@H](C)C[N@H+](C)C(C)C)cc(C#N)n1 ZINC000308278292 178185295 /nfs/dbraw/zinc/18/52/95/178185295.db2.gz SIQCUUIVEOYMPO-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO C[C@@H]1CCCN(Cc2ccccc2C#N)[C@H]1C[NH3+] ZINC000251561107 398223856 /nfs/dbraw/zinc/22/38/56/398223856.db2.gz AHUUOSGOTCCNLN-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C ZINC000076115895 398226404 /nfs/dbraw/zinc/22/64/04/398226404.db2.gz TVEOBCCGPVQGRH-STQMWFEESA-N 1 0 236.359 2.060 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(OC)CC1 ZINC000421394292 192330018 /nfs/dbraw/zinc/33/00/18/192330018.db2.gz FZSQKUAZINEJHB-RYUDHWBXSA-N 1 0 226.364 2.203 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CCO)CC2)o1 ZINC000421403036 192330841 /nfs/dbraw/zinc/33/08/41/192330841.db2.gz WTYTXGGDLINPOW-GFCCVEGCSA-N 1 0 248.326 2.136 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000421357843 192332002 /nfs/dbraw/zinc/33/20/02/192332002.db2.gz RDUUEAGZHVIJMM-CQSZACIVSA-N 1 0 217.312 2.201 20 30 BEEDRO CCN1CCC([N@H+](C)C[C@@H](C)CCC#N)CC1 ZINC000602436493 349523016 /nfs/dbraw/zinc/52/30/16/349523016.db2.gz OUHRMFPGQDQAFV-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[C@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602437458 349524257 /nfs/dbraw/zinc/52/42/57/349524257.db2.gz YFOHEDDMIAXRPS-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)CN(CC)C(=O)NCC([NH3+])(CC)CC ZINC000418435124 192036113 /nfs/dbraw/zinc/03/61/13/192036113.db2.gz HFIZFYHYFRVBAD-UHFFFAOYSA-N 1 0 241.379 2.112 20 30 BEEDRO CCN(CC)[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602438454 349525437 /nfs/dbraw/zinc/52/54/37/349525437.db2.gz RAFQRNLZUQXPIH-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C(C)CC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281621298 398237670 /nfs/dbraw/zinc/23/76/70/398237670.db2.gz HLINNBMTMFPPNZ-HNNXBMFYSA-N 1 0 247.338 2.213 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@@H]1CCCO1 ZINC000602441651 349527651 /nfs/dbraw/zinc/52/76/51/349527651.db2.gz PSHQJUMZEFCZRC-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)C[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000281460433 398238808 /nfs/dbraw/zinc/23/88/08/398238808.db2.gz AVMGQDMNZMKCMG-OAHLLOKOSA-N 1 0 231.339 2.376 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000320416617 398242840 /nfs/dbraw/zinc/24/28/40/398242840.db2.gz RPBRUIWCADMDJV-CHWSQXEVSA-N 1 0 247.338 2.079 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000320454197 398247936 /nfs/dbraw/zinc/24/79/36/398247936.db2.gz KFRBWZOUZQNTHO-QMMMGPOBSA-N 1 0 246.763 2.213 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ncccc1CC ZINC000356845879 259308274 /nfs/dbraw/zinc/30/82/74/259308274.db2.gz IPOBBEINNKQXNA-OLZOCXBDSA-N 1 0 248.370 2.479 20 30 BEEDRO C[C@H](CCNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000285181839 136228712 /nfs/dbraw/zinc/22/87/12/136228712.db2.gz UTHGSXBWFLRQJB-VXGBXAGGSA-N 1 0 231.343 2.118 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ncc[nH]1 ZINC000287394564 538945236 /nfs/dbraw/zinc/94/52/36/538945236.db2.gz IVNBAEAWNNGZRD-UTUOFQBUSA-N 1 0 235.331 2.042 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccccc1OC ZINC000293323525 136229513 /nfs/dbraw/zinc/22/95/13/136229513.db2.gz CLMSCACJQAMSGB-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO CC#CC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000293350355 136229583 /nfs/dbraw/zinc/22/95/83/136229583.db2.gz ZFRZNYHXOMRUGA-UHFFFAOYSA-N 1 0 248.301 2.109 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000602466073 349539175 /nfs/dbraw/zinc/53/91/75/349539175.db2.gz WCGJZPRAZUZAED-TZMCWYRMSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](CCCCO)C1CC1 ZINC000602470692 349542131 /nfs/dbraw/zinc/54/21/31/349542131.db2.gz CHZBUJLLPLGMCO-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cncn1C ZINC000289986861 538945948 /nfs/dbraw/zinc/94/59/48/538945948.db2.gz YFJKUSGEXVVVQA-LLVKDONJSA-N 1 0 207.321 2.255 20 30 BEEDRO CSCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000097221869 398259397 /nfs/dbraw/zinc/25/93/97/398259397.db2.gz DBZONOYEDNRXAY-UHFFFAOYSA-N 1 0 220.341 2.353 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1cccc(C#N)c1 ZINC000576716673 365669277 /nfs/dbraw/zinc/66/92/77/365669277.db2.gz ZYRSAWVCZUEIGA-CYBMUJFWSA-N 1 0 243.310 2.219 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000602469929 349540805 /nfs/dbraw/zinc/54/08/05/349540805.db2.gz AVPYCQQNDHHYLP-LSDHHAIUSA-N 1 0 249.402 2.344 20 30 BEEDRO CC(C)C[C@@H](C[NH+]1CCCC1)NCCC#N ZINC000576749657 365675768 /nfs/dbraw/zinc/67/57/68/365675768.db2.gz VNVXKSSZWQFTHP-ZDUSSCGKSA-N 1 0 223.364 2.000 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@H]1CCOC1 ZINC000602446029 349546236 /nfs/dbraw/zinc/54/62/36/349546236.db2.gz ZGDOPNUMMNNOKG-CHWSQXEVSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn(C)nc1CC ZINC000385176834 398261940 /nfs/dbraw/zinc/26/19/40/398261940.db2.gz MWGHSZGSTRHXKM-UHFFFAOYSA-N 1 0 221.348 2.284 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000344356151 136231901 /nfs/dbraw/zinc/23/19/01/136231901.db2.gz MBIOJVMKTDTBPF-UHFFFAOYSA-N 1 0 246.310 2.241 20 30 BEEDRO CC[N@@H+](Cc1cnn(C)c1)C[C@H](C)CCC#N ZINC000602449807 349551234 /nfs/dbraw/zinc/55/12/34/349551234.db2.gz SNYKQFNHXLMDIG-GFCCVEGCSA-N 1 0 234.347 2.182 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000602458926 349554894 /nfs/dbraw/zinc/55/48/94/349554894.db2.gz QYVNNSDWRPELSZ-KGLIPLIRSA-N 1 0 246.358 2.460 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@@H](C)[N@H+](C)C2CC2)n1 ZINC000218035557 178364189 /nfs/dbraw/zinc/36/41/89/178364189.db2.gz SAHAJEMAICMZDW-LLVKDONJSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@@]2(C)CCC[NH2+]C2)n1 ZINC000129359638 178364759 /nfs/dbraw/zinc/36/47/59/178364759.db2.gz BUCVDQVBIPWRES-AWEZNQCLSA-N 1 0 244.342 2.063 20 30 BEEDRO CCC[C@@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602472116 349542724 /nfs/dbraw/zinc/54/27/24/349542724.db2.gz GUWFMPQFTHQUNG-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000290803168 178365682 /nfs/dbraw/zinc/36/56/82/178365682.db2.gz YUDYSTZNJQYYHI-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc(C#N)c1 ZINC000129606282 398264380 /nfs/dbraw/zinc/26/43/80/398264380.db2.gz NXUDIXZRGXVJMD-BPNCWPANSA-N 1 0 244.338 2.368 20 30 BEEDRO C[C@@H](CCC#N)CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000602478377 349564181 /nfs/dbraw/zinc/56/41/81/349564181.db2.gz XOJFLTBWVOHNKP-MJBXVCDLSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000602485371 349566980 /nfs/dbraw/zinc/56/69/80/349566980.db2.gz ODQVFTOXZKPJJB-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC(CC)[N@H+](CCCC#N)CCOC ZINC000042616405 168372872 /nfs/dbraw/zinc/37/28/72/168372872.db2.gz MNTZUKKSQOGRQX-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H](CO)C(C)(C)C ZINC000602486034 349567831 /nfs/dbraw/zinc/56/78/31/349567831.db2.gz UCZVFJBSMWVLGS-NWDGAFQWSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccc[nH]1 ZINC000602486989 349569383 /nfs/dbraw/zinc/56/93/83/349569383.db2.gz XUVKQRJKXFBBHA-NSHDSACASA-N 1 0 205.305 2.386 20 30 BEEDRO CCN1CCC([NH2+]C2CCC(C#N)CC2)CC1 ZINC000602499187 349559794 /nfs/dbraw/zinc/55/97/94/349559794.db2.gz OILHRAOSPLDQAJ-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(N(C)C)CCCC1 ZINC000602502223 349561297 /nfs/dbraw/zinc/56/12/97/349561297.db2.gz KIZBFWFBYNFMBM-ZDUSSCGKSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC1(C)C ZINC000602526579 349577369 /nfs/dbraw/zinc/57/73/69/349577369.db2.gz LHTURQIIFFEFDE-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC1(C)C ZINC000602526582 349577822 /nfs/dbraw/zinc/57/78/22/349577822.db2.gz LHTURQIIFFEFDE-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1nccn1C(F)F ZINC000602529981 349579140 /nfs/dbraw/zinc/57/91/40/349579140.db2.gz RUSHKVAFZCZMBE-SECBINFHSA-N 1 0 242.273 2.308 20 30 BEEDRO CCCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602503193 349580406 /nfs/dbraw/zinc/58/04/06/349580406.db2.gz OGKMWMIZLOYXFQ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCOC1CCCC1 ZINC000602531036 349580480 /nfs/dbraw/zinc/58/04/80/349580480.db2.gz VRXLMJLMAZSWCL-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CC1CCC([NH2+]CCc2ccco2)CC1 ZINC000602505181 349581995 /nfs/dbraw/zinc/58/19/95/349581995.db2.gz UYUBNDZYXLEILF-UHFFFAOYSA-N 1 0 218.300 2.494 20 30 BEEDRO CC[C@@H](C)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602506417 349582498 /nfs/dbraw/zinc/58/24/98/349582498.db2.gz UYBNOSSOIHMNDC-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCOCC(F)(F)F ZINC000602508123 349583719 /nfs/dbraw/zinc/58/37/19/349583719.db2.gz SKTZOAZXNXHAPE-SECBINFHSA-N 1 0 238.253 2.095 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCOCC1CC1 ZINC000602509133 349584432 /nfs/dbraw/zinc/58/44/32/349584432.db2.gz BVVGWOFLIDLVMQ-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO CC[C@H](C)[C@@](C)(O)C[NH2+]C[C@@H](C)CCC#N ZINC000602547562 349590211 /nfs/dbraw/zinc/59/02/11/349590211.db2.gz ZGCFAEPMDKZYNX-AVGNSLFASA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN2CCCC[C@H]12 ZINC000602513743 349585860 /nfs/dbraw/zinc/58/58/60/349585860.db2.gz HZUBSLOPYBZKFL-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO Cc1cccc(C[NH2+]C[C@H](C)CCC#N)n1 ZINC000602514009 349586775 /nfs/dbraw/zinc/58/67/75/349586775.db2.gz JUFCSKGTUVKPBH-LLVKDONJSA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000602558726 349598282 /nfs/dbraw/zinc/59/82/82/349598282.db2.gz NTNWDPZNWLKIKE-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183329078 346841251 /nfs/dbraw/zinc/84/12/51/346841251.db2.gz DBGHAODGBOOZDZ-CMPLNLGQSA-N 1 0 219.332 2.425 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000448978988 398271639 /nfs/dbraw/zinc/27/16/39/398271639.db2.gz ZMISVJZWIZWVIX-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000602560607 349599964 /nfs/dbraw/zinc/59/99/64/349599964.db2.gz YXMIHMXGTKXWBI-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO CO[C@H](C[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602560674 349599968 /nfs/dbraw/zinc/59/99/68/349599968.db2.gz JXSUUDWRLJUZTR-WXRRBKDZSA-N 1 0 224.348 2.329 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]C1CCC(C#N)CC1 ZINC000602560166 349600014 /nfs/dbraw/zinc/60/00/14/349600014.db2.gz WTTSWRUQNFVEIO-NELGMTEASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626177938 346842846 /nfs/dbraw/zinc/84/28/46/346842846.db2.gz ZKHOCKMPCYSGNJ-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000180489326 538958660 /nfs/dbraw/zinc/95/86/60/538958660.db2.gz BZWUEKKQKQNKDY-LLVKDONJSA-N 1 0 248.374 2.019 20 30 BEEDRO CCCCN(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602563011 349601266 /nfs/dbraw/zinc/60/12/66/349601266.db2.gz JSQRKFQNVUBQCS-ZDUSSCGKSA-N 1 0 225.380 2.248 20 30 BEEDRO COCCCCC[NH2+]C[C@H](C)CCC#N ZINC000602534460 349602319 /nfs/dbraw/zinc/60/23/19/349602319.db2.gz VGQZXAQXARMOCJ-GFCCVEGCSA-N 1 0 212.337 2.333 20 30 BEEDRO CCN(CC)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602548824 349591352 /nfs/dbraw/zinc/59/13/52/349591352.db2.gz FUIHUNMHTYKXRA-CHWSQXEVSA-N 1 0 225.380 2.246 20 30 BEEDRO C[C@@H](CO)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602579015 349607805 /nfs/dbraw/zinc/60/78/05/349607805.db2.gz QMIBFBQLBHUQTF-PNESKVBLSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cn[nH]c1 ZINC000602580126 349608448 /nfs/dbraw/zinc/60/84/48/349608448.db2.gz NGPCAHFZZDBYCW-GRZMOONWSA-N 1 0 218.304 2.143 20 30 BEEDRO Cc1cncc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000602580531 349608653 /nfs/dbraw/zinc/60/86/53/349608653.db2.gz NXIYHTIIGMBXLA-LLVKDONJSA-N 1 0 217.316 2.420 20 30 BEEDRO Cc1n[nH]cc1C[NH+]1CCC(CCC#N)CC1 ZINC000259880238 349609245 /nfs/dbraw/zinc/60/92/45/349609245.db2.gz DDUIVDAEIWSUHP-UHFFFAOYSA-N 1 0 232.331 2.234 20 30 BEEDRO CO[C@H]1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602582760 349609986 /nfs/dbraw/zinc/60/99/86/349609986.db2.gz NWITXNLFTLYGIF-HHTDUIENSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ncccc2F)CC1 ZINC000602582518 349610001 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/nfs/dbraw/zinc/69/38/01/342693801.db2.gz PEKFSVIRTNJSAC-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO CCN(CCc1cccc(C)n1)C[C@@H](C)C#N ZINC000399737528 342742222 /nfs/dbraw/zinc/74/22/22/342742222.db2.gz VOCRUYLPLCTJEJ-LBPRGKRZSA-N 1 0 231.343 2.414 20 30 BEEDRO COC[C@@H]([NH2+]C[C@H](C)CCC#N)c1ccco1 ZINC000602563717 349616084 /nfs/dbraw/zinc/61/60/84/349616084.db2.gz HHEQJWWLWNRQMA-VXGBXAGGSA-N 1 0 236.315 2.497 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348690179 136236707 /nfs/dbraw/zinc/23/67/07/136236707.db2.gz XRRSBGMIAJLUHU-OCCSQVGLSA-N 1 0 234.343 2.102 20 30 BEEDRO N#CC1CCC([NH2+]CCNc2ccccn2)CC1 ZINC000602594024 349616305 /nfs/dbraw/zinc/61/63/05/349616305.db2.gz OPZUYSNIQGHQIL-UHFFFAOYSA-N 1 0 244.342 2.165 20 30 BEEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000074287536 342732069 /nfs/dbraw/zinc/73/20/69/342732069.db2.gz BLMAGIREBPFTMS-STQMWFEESA-N 1 0 224.348 2.306 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCN(CC3CC3)C2)CC1 ZINC000602564033 349616421 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ZINC000388343573 346863295 /nfs/dbraw/zinc/86/32/95/346863295.db2.gz KVSRAUKWPCQXMN-RNCFNFMXSA-N 1 0 234.299 2.054 20 30 BEEDRO CO[C@H](C[NH2+]CCCC#N)Cc1ccccc1 ZINC000602603442 349626036 /nfs/dbraw/zinc/62/60/36/349626036.db2.gz ANGDAXUKFUVZJK-AWEZNQCLSA-N 1 0 232.327 2.137 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](C)C(C)(C)C ZINC000380269506 538987863 /nfs/dbraw/zinc/98/78/63/538987863.db2.gz VLRAVXYCDFJYRQ-NWDGAFQWSA-N 1 0 213.365 2.443 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H](C)C[N@H+](C)C(C)C)n1 ZINC000357575686 398290878 /nfs/dbraw/zinc/29/08/78/398290878.db2.gz ZWZNCBPECOTXKE-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2=CCCOC2)C1 ZINC000335623748 136240457 /nfs/dbraw/zinc/24/04/57/136240457.db2.gz LDRLLTDBPGYNKN-DGCLKSJQSA-N 1 0 220.316 2.005 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(CC)o1 ZINC000379954787 538982707 /nfs/dbraw/zinc/98/27/07/538982707.db2.gz FYNVRDCQTDAYTP-UHFFFAOYSA-N 1 0 209.289 2.134 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2=CCCOC2)C1 ZINC000335623747 136240510 /nfs/dbraw/zinc/24/05/10/136240510.db2.gz LDRLLTDBPGYNKN-AAEUAGOBSA-N 1 0 220.316 2.005 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn(C)nc1CC ZINC000381596472 539004888 /nfs/dbraw/zinc/00/48/88/539004888.db2.gz LWGFCXQDJZPONO-LBPRGKRZSA-N 1 0 221.348 2.427 20 30 BEEDRO COC1(C[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602605369 349627315 /nfs/dbraw/zinc/62/73/15/349627315.db2.gz IJBCULLOJHTZLR-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H](CO)c1sccc1C ZINC000381396145 539000002 /nfs/dbraw/zinc/00/00/02/539000002.db2.gz OWNLYEMEPKXETR-NEPJUHHUSA-N 1 0 237.368 2.481 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1ccncc1 ZINC000390480493 539022624 /nfs/dbraw/zinc/02/26/24/539022624.db2.gz MOEJXQYSQDJRMB-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000390646819 539026808 /nfs/dbraw/zinc/02/68/08/539026808.db2.gz OEEONNYETWIZQQ-STQMWFEESA-N 1 0 216.328 2.429 20 30 BEEDRO COc1cc(C[C@H](C)[NH2+]CC(C)(C)C#N)ccn1 ZINC000602606560 349628285 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ZINC000449549149 398302082 /nfs/dbraw/zinc/30/20/82/398302082.db2.gz VEZLZCIKPNTMEY-DGAVXFQQSA-N 1 0 221.344 2.498 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000166492880 398299768 /nfs/dbraw/zinc/29/97/68/398299768.db2.gz OFSZAKIJVXGKEI-RYUDHWBXSA-N 1 0 217.312 2.238 20 30 BEEDRO CO[C@@H](C[NH2+]CC(C)(C)C#N)Cc1ccccc1 ZINC000602608617 349632184 /nfs/dbraw/zinc/63/21/84/349632184.db2.gz UGGHOUORXHXRHG-CQSZACIVSA-N 1 0 246.354 2.383 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000342843979 342876085 /nfs/dbraw/zinc/87/60/85/342876085.db2.gz ZMFWULUAKPWQLA-ZDUSSCGKSA-N 1 0 248.351 2.375 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000602607631 349631185 /nfs/dbraw/zinc/63/11/85/349631185.db2.gz RQYZYZQGEGAALX-AGIUHOORSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(C(=O)OCC)[nH]1)C1CC1 ZINC000602610599 349634554 /nfs/dbraw/zinc/63/45/54/349634554.db2.gz CCHALAZLEQPKNX-UHFFFAOYSA-N 1 0 248.326 2.342 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(C)C ZINC000233736651 342879824 /nfs/dbraw/zinc/87/98/24/342879824.db2.gz ZPLKLELVLFVCSE-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233748852 342880007 /nfs/dbraw/zinc/88/00/07/342880007.db2.gz SISYWNCRQZUHRJ-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000232770191 342880049 /nfs/dbraw/zinc/88/00/49/342880049.db2.gz HCFJVJVEHDESPP-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000602610276 349633979 /nfs/dbraw/zinc/63/39/79/349633979.db2.gz SHWMJHDCXSCUJR-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCc1cn(C)nn1 ZINC000625185731 342904615 /nfs/dbraw/zinc/90/46/15/342904615.db2.gz QTMWXQKGIVFRQU-UHFFFAOYSA-N 1 0 236.363 2.036 20 30 BEEDRO CC[C@]1(CO)CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602622684 349641430 /nfs/dbraw/zinc/64/14/30/349641430.db2.gz CNGIYDXYEMIQLL-KGLIPLIRSA-N 1 0 238.375 2.411 20 30 BEEDRO CO[C@@H](C[NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000602615032 349638057 /nfs/dbraw/zinc/63/80/57/349638057.db2.gz PICVVEWYSCDONC-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](CC(C)(C)O)C1CC1 ZINC000602621490 349641619 /nfs/dbraw/zinc/64/16/19/349641619.db2.gz IABDCZGJNKQKJE-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000602634239 349649816 /nfs/dbraw/zinc/64/98/16/349649816.db2.gz LKHYNGLMUQWRFW-LLVKDONJSA-N 1 0 245.326 2.085 20 30 BEEDRO CC[C@]1(C)C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602624468 349642916 /nfs/dbraw/zinc/64/29/16/349642916.db2.gz BNEPLMVKRKJKJB-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccns2)CC1 ZINC000602595456 349643835 /nfs/dbraw/zinc/64/38/35/349643835.db2.gz ADRMTDCMXOKABI-UHFFFAOYSA-N 1 0 221.329 2.269 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CCCCO1 ZINC000602596162 349644027 /nfs/dbraw/zinc/64/40/27/349644027.db2.gz ILQHBWLJWDEPTO-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO CCC[C@@H](C[NH+]1CCC(CC#N)CC1)OC ZINC000602597028 349644552 /nfs/dbraw/zinc/64/45/52/349644552.db2.gz QGHQDNWRVAXBCX-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602635400 349650609 /nfs/dbraw/zinc/65/06/09/349650609.db2.gz YAQJITADMYUFGR-IKWCTNDRSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H](C)[N@@H+](CC(=O)OC)C[C@@H](C)CCC#N ZINC000602649562 349658851 /nfs/dbraw/zinc/65/88/51/349658851.db2.gz WKUREACGRGMPRK-RYUDHWBXSA-N 1 0 240.347 2.200 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)CC(C)(C)CCC#N ZINC000093481974 344011543 /nfs/dbraw/zinc/01/15/43/344011543.db2.gz IPMJYNQLHFJLEH-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164533787 398328943 /nfs/dbraw/zinc/32/89/43/398328943.db2.gz IXXAJAAVGIECJH-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO CO[C@@H]1CC[N@H+](C[C@H](C)CCC#N)[C@H](C)C1 ZINC000602654657 349661053 /nfs/dbraw/zinc/66/10/53/349661053.db2.gz IMOMFJMVRFDCDT-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CC1)Cc1ccccc1 ZINC000602642837 349655155 /nfs/dbraw/zinc/65/51/55/349655155.db2.gz OKAYGJYBVIEFRU-AWEZNQCLSA-N 1 0 244.338 2.137 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)N(CC)C[C@H]1C ZINC000351722590 136249774 /nfs/dbraw/zinc/24/97/74/136249774.db2.gz VURDPXFWFLULIP-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO CC[C@@](C)(C[N@H+](C)CC(C)(C)C#N)OC ZINC000602675074 349668247 /nfs/dbraw/zinc/66/82/47/349668247.db2.gz JSVSXSAPGIOZKQ-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000234006998 342939496 /nfs/dbraw/zinc/93/94/96/342939496.db2.gz IXZYTLYRQIPZFN-IJLUTSLNSA-N 1 0 210.321 2.226 20 30 BEEDRO CO[C@@](C)(C[N@H+](C)CC(C)(C)C#N)C1CC1 ZINC000602676020 349669121 /nfs/dbraw/zinc/66/91/21/349669121.db2.gz OWKSCUOSQLJNNM-ZDUSSCGKSA-N 1 0 224.348 2.283 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602675593 349669319 /nfs/dbraw/zinc/66/93/19/349669319.db2.gz UVZZQQWNJJJDRX-OLZOCXBDSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000602677079 349670046 /nfs/dbraw/zinc/67/00/46/349670046.db2.gz QFLPFHGCULEXRV-STQMWFEESA-N 1 0 232.331 2.070 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000351729694 136249971 /nfs/dbraw/zinc/24/99/71/136249971.db2.gz HGMSYHYMBRJXLF-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000379917194 365689508 /nfs/dbraw/zinc/68/95/08/365689508.db2.gz DHHXZYJGVCNFCM-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO Cc1noc(C(C)(C)[NH2+]C[C@H](C)CCC#N)n1 ZINC000602655314 349661675 /nfs/dbraw/zinc/66/16/75/349661675.db2.gz UGOLVXYMTYFAMQ-SECBINFHSA-N 1 0 236.319 2.143 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC[C@H]1C ZINC000602656450 349661726 /nfs/dbraw/zinc/66/17/26/349661726.db2.gz UQFXAJDEDOIBQB-UPJWGTAASA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@H]1C ZINC000602656449 349661931 /nfs/dbraw/zinc/66/19/31/349661931.db2.gz UQFXAJDEDOIBQB-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CCCO1 ZINC000602656157 349661935 /nfs/dbraw/zinc/66/19/35/349661935.db2.gz MYMUIENQCSDZDT-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000602657111 349662906 /nfs/dbraw/zinc/66/29/06/349662906.db2.gz WRJOVMDYWMRZBM-QLFBSQMISA-N 1 0 249.402 2.485 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602658471 349663201 /nfs/dbraw/zinc/66/32/01/349663201.db2.gz YLLACFUJPYEEGB-SHARSMKWSA-N 1 0 249.402 2.389 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602658436 349663589 /nfs/dbraw/zinc/66/35/89/349663589.db2.gz XNFRCENUGVUELM-KGLIPLIRSA-N 1 0 237.391 2.246 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@H](C)CCC#N)C1 ZINC000602658438 349663641 /nfs/dbraw/zinc/66/36/41/349663641.db2.gz XNFRCENUGVUELM-ZIAGYGMSSA-N 1 0 237.391 2.246 20 30 BEEDRO C[C@H]1C[NH+](CCCSCC#N)C[C@@H]1C ZINC000074991917 398334963 /nfs/dbraw/zinc/33/49/63/398334963.db2.gz AFMYJMIJZYEHSU-QWRGUYRKSA-N 1 0 212.362 2.221 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)C1CCCC1 ZINC000602673682 349667475 /nfs/dbraw/zinc/66/74/75/349667475.db2.gz BDMNTGPIUMICOL-AAEUAGOBSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H](CCC#N)CNc1cc2c(c[nH+]1)CCC2 ZINC000602674043 349667639 /nfs/dbraw/zinc/66/76/39/349667639.db2.gz BWAQQCHPTRAPAZ-NSHDSACASA-N 1 0 229.327 2.344 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC000602688826 349679145 /nfs/dbraw/zinc/67/91/45/349679145.db2.gz AXKXTUBVUCTRCV-XVSSEFHLSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](CCC#N)CNc1ccc2c([nH+]1)CCC2 ZINC000602682005 349674476 /nfs/dbraw/zinc/67/44/76/349674476.db2.gz PEOVNVWYCBRWFD-NSHDSACASA-N 1 0 229.327 2.344 20 30 BEEDRO CCc1ncc(C[NH2+]C2CCC(C#N)CC2)o1 ZINC000602684259 349676190 /nfs/dbraw/zinc/67/61/90/349676190.db2.gz NQSZCMAUCVGNBY-UHFFFAOYSA-N 1 0 233.315 2.409 20 30 BEEDRO Cc1ccncc1C[NH2+]C[C@@H](C)CCC#N ZINC000602685421 349677090 /nfs/dbraw/zinc/67/70/90/349677090.db2.gz OUTRTCFLCISDOE-NSHDSACASA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@@H](CNc1ccc(F)cc1C#N)[NH+](C)C ZINC000082516467 398340930 /nfs/dbraw/zinc/34/09/30/398340930.db2.gz QUUMXOTYFADNKY-VIFPVBQESA-N 1 0 221.279 2.059 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602686353 349677893 /nfs/dbraw/zinc/67/78/93/349677893.db2.gz PNBBORJIVFMBDJ-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1nnsc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000602679000 349671415 /nfs/dbraw/zinc/67/14/15/349671415.db2.gz HXSZZCZMOKHKIU-UWVGGRQHSA-N 1 0 236.344 2.019 20 30 BEEDRO N#CC1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000602679999 349672486 /nfs/dbraw/zinc/67/24/86/349672486.db2.gz CDJNLVYHNQHVGO-ROKHWSDSSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000602688806 349679085 /nfs/dbraw/zinc/67/90/85/349679085.db2.gz DLKJPVPCSBUEQM-LPWJVIDDSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)C[C@H](C)O1 ZINC000562521861 323022805 /nfs/dbraw/zinc/02/28/05/323022805.db2.gz KNWHNTOZXKZMSG-GDNZZTSVSA-N 1 0 222.332 2.226 20 30 BEEDRO CS[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602681478 349673350 /nfs/dbraw/zinc/67/33/50/349673350.db2.gz VEIMZVBWSUOOBP-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000602681240 349673595 /nfs/dbraw/zinc/67/35/95/349673595.db2.gz NEIBNKQCCSYUES-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000248515626 323023924 /nfs/dbraw/zinc/02/39/24/323023924.db2.gz OJBMCGLBESWRKA-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000602665852 349684648 /nfs/dbraw/zinc/68/46/48/349684648.db2.gz DDUQDOXKDQWVSF-YPMHNXCESA-N 1 0 238.375 2.313 20 30 BEEDRO CC(C)N(C)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602666292 349684982 /nfs/dbraw/zinc/68/49/82/349684982.db2.gz GQRMCLHKLYYQCS-IYXRBSQSSA-N 1 0 237.391 2.387 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000248523437 323024121 /nfs/dbraw/zinc/02/41/21/323024121.db2.gz SNCZZHPANWHZMQ-UPJWGTAASA-N 1 0 241.375 2.107 20 30 BEEDRO C[C@H](CF)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602661802 349681271 /nfs/dbraw/zinc/68/12/71/349681271.db2.gz INJHFKDZWRVRDA-WDEREUQCSA-N 1 0 228.311 2.033 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCC[C@H]1CCO1 ZINC000602661830 349681873 /nfs/dbraw/zinc/68/18/73/349681873.db2.gz IZWUXECGOSBDGV-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)C[C@H](C)CCC#N ZINC000602661887 349682138 /nfs/dbraw/zinc/68/21/38/349682138.db2.gz HXOBJICARCWLIS-CYBMUJFWSA-N 1 0 248.374 2.453 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C1CC(n2cccn2)C1 ZINC000602692668 349690048 /nfs/dbraw/zinc/69/00/48/349690048.db2.gz XCNNXDYEVXSTRT-UHFFFAOYSA-N 1 0 232.331 2.116 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000602693711 349690965 /nfs/dbraw/zinc/69/09/65/349690965.db2.gz IGKPUEWDVCXSDY-LBELIVKGSA-N 1 0 204.317 2.314 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602695149 349691494 /nfs/dbraw/zinc/69/14/94/349691494.db2.gz DXOMULAPCMLVHX-AVGNSLFASA-N 1 0 226.364 2.313 20 30 BEEDRO COCC[C@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602695256 349691680 /nfs/dbraw/zinc/69/16/80/349691680.db2.gz MRELFKBKVCGGOZ-RYUDHWBXSA-N 1 0 212.337 2.188 20 30 BEEDRO CCOC1CC(C[NH2+]CC2(C#N)CCC2)C1 ZINC000602695839 349692576 /nfs/dbraw/zinc/69/25/76/349692576.db2.gz PLWXKHDYTIDQKB-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000602699137 349695316 /nfs/dbraw/zinc/69/53/16/349695316.db2.gz JLHLGJQUDBRBRZ-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000602697705 349693605 /nfs/dbraw/zinc/69/36/05/349693605.db2.gz HQLIRUJHDIXGCT-CHWSQXEVSA-N 1 0 238.375 2.267 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602699217 349695118 /nfs/dbraw/zinc/69/51/18/349695118.db2.gz NNAHAAMWUOSMMA-RWMBFGLXSA-N 1 0 226.364 2.313 20 30 BEEDRO CCOC1CC(C[NH2+]CC2(C#N)CCCC2)C1 ZINC000602698192 349694699 /nfs/dbraw/zinc/69/46/99/349694699.db2.gz DKNNIZGYHVFBCA-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000602690932 349688597 /nfs/dbraw/zinc/68/85/97/349688597.db2.gz SEJZUDOEDVJHGN-WOPDTQHZSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CS1 ZINC000602691695 349689132 /nfs/dbraw/zinc/68/91/32/349689132.db2.gz QKRGEIDPIHHHFD-NXEZZACHSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC1(F)F ZINC000602698778 349695459 /nfs/dbraw/zinc/69/54/59/349695459.db2.gz YRLRWDTVTQKCDL-IUCAKERBSA-N 1 0 214.259 2.314 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCN1C(C)(C)C ZINC000602704985 349698897 /nfs/dbraw/zinc/69/88/97/349698897.db2.gz IYJFTHGEPGELBO-QWHCGFSZSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000602707835 349700834 /nfs/dbraw/zinc/70/08/34/349700834.db2.gz JSQOTMSSAFQYOJ-TZMCWYRMSA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1noc([C@H](C)[N@@H+](C)C[C@@H](C)CCC#N)n1 ZINC000602709477 349701607 /nfs/dbraw/zinc/70/16/07/349701607.db2.gz IVRBUJWUWKMMRM-UWVGGRQHSA-N 1 0 236.319 2.311 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000602708083 349702161 /nfs/dbraw/zinc/70/21/61/349702161.db2.gz YYPBHIJJSCJBRI-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)[C@H]1CCCOC1 ZINC000602700405 349696428 /nfs/dbraw/zinc/69/64/28/349696428.db2.gz UJQJKLGLOJFDGY-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000602701401 349697293 /nfs/dbraw/zinc/69/72/93/349697293.db2.gz QXPKCHGCRHCBQW-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO N#CCc1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602701698 349697413 /nfs/dbraw/zinc/69/74/13/349697413.db2.gz XABWHMNKLIMXOO-OAHLLOKOSA-N 1 0 244.338 2.411 20 30 BEEDRO CCC[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)OC ZINC000602719162 349697786 /nfs/dbraw/zinc/69/77/86/349697786.db2.gz UKARGFAXFNZJFJ-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCS[C@@H]1C ZINC000602703920 349698116 /nfs/dbraw/zinc/69/81/16/349698116.db2.gz SJZLQFFSYRHXJW-MXWKQRLJSA-N 1 0 212.362 2.410 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CC[C@@](C)(C#N)C1)OC ZINC000602717471 349708180 /nfs/dbraw/zinc/70/81/80/349708180.db2.gz GLKCRVHARJVYMD-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000313498685 259336226 /nfs/dbraw/zinc/33/62/26/259336226.db2.gz FYIUPGGSGZTDIH-UHFFFAOYSA-N 1 0 249.310 2.480 20 30 BEEDRO COc1cc(C[NH2+]CC(C)(C)CCC#N)on1 ZINC000602713367 349704991 /nfs/dbraw/zinc/70/49/91/349704991.db2.gz LXXBSTDSBPHVRT-UHFFFAOYSA-N 1 0 237.303 2.103 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+]C[C@@H](C)CCC#N ZINC000602713579 349705730 /nfs/dbraw/zinc/70/57/30/349705730.db2.gz WBJBFEHSDVRVKK-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000602715468 349706452 /nfs/dbraw/zinc/70/64/52/349706452.db2.gz NSQLYPICNAXKHZ-PWSUYJOCSA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C)O1 ZINC000602736937 349720782 /nfs/dbraw/zinc/72/07/82/349720782.db2.gz RYZYDQXRFWLJCX-LQVBTDEGSA-N 1 0 222.332 2.224 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000602742069 349709979 /nfs/dbraw/zinc/70/99/79/349709979.db2.gz KSBGYKSXLNPWSO-IWSPIJDZSA-N 1 0 220.238 2.467 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000602742067 349710204 /nfs/dbraw/zinc/71/02/04/349710204.db2.gz KSBGYKSXLNPWSO-DJLDLDEBSA-N 1 0 220.238 2.467 20 30 BEEDRO C[C@@H](C[NH+]1CCN(CCC#N)CC1)C(C)(C)C ZINC000602748931 349711624 /nfs/dbraw/zinc/71/16/24/349711624.db2.gz XEIDKURVQJYXKL-ZDUSSCGKSA-N 1 0 237.391 2.200 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602722309 349712999 /nfs/dbraw/zinc/71/29/99/349712999.db2.gz BACRSXYBNVMSSU-TUUUFIMRSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)CC[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602722470 349713179 /nfs/dbraw/zinc/71/31/79/349713179.db2.gz DSMVWAUEMIUACE-RUXDESIVSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1nccn1C ZINC000602721724 349713210 /nfs/dbraw/zinc/71/32/10/349713210.db2.gz KCEDBAGKVOZEJM-MNOVXSKESA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](CNCCC#N)[N@H+](C)Cc1ccccc1 ZINC000307223912 259337754 /nfs/dbraw/zinc/33/77/54/259337754.db2.gz AJWBUJVWOIQRSM-CYBMUJFWSA-N 1 0 231.343 2.010 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602724610 349714287 /nfs/dbraw/zinc/71/42/87/349714287.db2.gz INRBTVQNSCOLEZ-JALNAOCDSA-N 1 0 236.359 2.470 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602724611 349714309 /nfs/dbraw/zinc/71/43/09/349714309.db2.gz INRBTVQNSCOLEZ-MZABENMOSA-N 1 0 236.359 2.470 20 30 BEEDRO CC1(C)OCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602724675 349714414 /nfs/dbraw/zinc/71/44/14/349714414.db2.gz USFWNUISEUGXRU-CPCZMJQVSA-N 1 0 236.359 2.473 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)C[C@@H](C)CCC#N ZINC000602731646 349717225 /nfs/dbraw/zinc/71/72/25/349717225.db2.gz WICMDNBMMQNUAZ-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602729010 349717273 /nfs/dbraw/zinc/71/72/73/349717273.db2.gz HGXNARDOSXRHNR-JSTMSRMQSA-N 1 0 222.332 2.083 20 30 BEEDRO CCOC(=O)[C@@H](C)[N@H+](CCCCC#N)C1CC1 ZINC000190845762 259338725 /nfs/dbraw/zinc/33/87/25/259338725.db2.gz JVIUVZPJNWUTHR-LLVKDONJSA-N 1 0 238.331 2.096 20 30 BEEDRO C[N@@H+]1CCCC12CCN(CC1(CC#N)CC1)CC2 ZINC000602797772 349738618 /nfs/dbraw/zinc/73/86/18/349738618.db2.gz LOHVFNQDVIBAEE-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000602798127 349738859 /nfs/dbraw/zinc/73/88/59/349738859.db2.gz XXBNGGSBPXIPIP-CQSZACIVSA-N 1 0 248.370 2.429 20 30 BEEDRO CO[C@H]1CCC[N@H+](CC2(CC#N)CC2)CC1 ZINC000602800696 349741045 /nfs/dbraw/zinc/74/10/45/349741045.db2.gz BPDQYZCKYIIFCO-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000602801361 349741906 /nfs/dbraw/zinc/74/19/06/349741906.db2.gz QDYIUTZYPAQKDA-UONOGXRCSA-N 1 0 248.370 2.429 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000602803036 349742426 /nfs/dbraw/zinc/74/24/26/349742426.db2.gz VOXKHLIJGFZXGN-AWEZNQCLSA-N 1 0 244.338 2.394 20 30 BEEDRO N#CCC1(C[NH+]2CCC([C@H]3CCOC3)CC2)CC1 ZINC000602804087 349742600 /nfs/dbraw/zinc/74/26/00/349742600.db2.gz HOJLNUVOBYSSAT-AWEZNQCLSA-N 1 0 248.370 2.429 20 30 BEEDRO CCC[NH+]1CCC(N(C)CC2(CC#N)CC2)CC1 ZINC000602778470 349744942 /nfs/dbraw/zinc/74/49/42/349744942.db2.gz LSUGMAVBBWYZAM-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779846 349745948 /nfs/dbraw/zinc/74/59/48/349745948.db2.gz SQQMIMLPSVJXLB-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](CO)[N@H+](CC1CCC1)CC1(CC#N)CC1 ZINC000602823183 349762979 /nfs/dbraw/zinc/76/29/79/349762979.db2.gz ZLHLMFNNFKDZRJ-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)C[C@@H]1COCC[N@@H+]1CC1(CC#N)CC1 ZINC000602782847 349748174 /nfs/dbraw/zinc/74/81/74/349748174.db2.gz AREHDTIWAVKUPU-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CC#N)N[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000602861762 349773723 /nfs/dbraw/zinc/77/37/23/349773723.db2.gz ISEZXIZEXZCDLN-NXEZZACHSA-N 1 0 249.289 2.044 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC2(CC#N)CC2)CC1(C)C ZINC000602838211 349777838 /nfs/dbraw/zinc/77/78/38/349777838.db2.gz AGXKYDNCLGXEEQ-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000602844039 349781435 /nfs/dbraw/zinc/78/14/35/349781435.db2.gz YEYWPUAKUUMRCE-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000602844038 349781557 /nfs/dbraw/zinc/78/15/57/349781557.db2.gz YEYWPUAKUUMRCE-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@@]1(CO)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602832636 349768955 /nfs/dbraw/zinc/76/89/55/349768955.db2.gz LVIBWYXUYBCHAQ-CQSZACIVSA-N 1 0 236.359 2.165 20 30 BEEDRO C[C@@]1([NH2+]CC2(CC#N)CC2)CCO[C@H]1C1CC1 ZINC000602806423 349769495 /nfs/dbraw/zinc/76/94/95/349769495.db2.gz TUZOPTLVUNQZHS-QWHCGFSZSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2CCCC2)C[C@H](C)N1CC#N ZINC000602854768 349788011 /nfs/dbraw/zinc/78/80/11/349788011.db2.gz RMOYZIZFZLTOKI-BETUJISGSA-N 1 0 235.375 2.095 20 30 BEEDRO CCC[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849419 349784817 /nfs/dbraw/zinc/78/48/17/349784817.db2.gz LFBNLIMSTXLXPW-AVGNSLFASA-N 1 0 223.364 2.093 20 30 BEEDRO COCC1(C#N)CCN(c2cc[nH+]c(C)c2)CC1 ZINC000343146324 536801942 /nfs/dbraw/zinc/80/19/42/536801942.db2.gz YSVRXVFXOGPBAD-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@H]1C[NH+](CCC2CCC2)C[C@H](C)N1CC#N ZINC000602851152 349785612 /nfs/dbraw/zinc/78/56/12/349785612.db2.gz TVEGLDBMPOVVNZ-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@H](CC)[NH+](C)C ZINC000352540295 136264233 /nfs/dbraw/zinc/26/42/33/136264233.db2.gz JIAJTDVVJFHQRX-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO CC#CC[NH+]1C[C@H](C)C(F)(F)[C@@H](C)C1 ZINC000625651510 344025276 /nfs/dbraw/zinc/02/52/76/344025276.db2.gz VHSVLTYTFKVQNQ-UWVGGRQHSA-N 1 0 201.260 2.233 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC1(C#N)CC1 ZINC000352884114 136265256 /nfs/dbraw/zinc/26/52/56/136265256.db2.gz KYROKRKXKPVAGP-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000353669361 136265524 /nfs/dbraw/zinc/26/55/24/136265524.db2.gz URKYOKPBADQFKD-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@H+](CC)CC(=C)C ZINC000061758671 343118444 /nfs/dbraw/zinc/11/84/44/343118444.db2.gz CLNZVUJFPNEHBM-UHFFFAOYSA-N 1 0 236.359 2.085 20 30 BEEDRO C=CCCCCn1cc([C@](C)([NH3+])CC)nn1 ZINC000640939226 362077487 /nfs/dbraw/zinc/07/74/87/362077487.db2.gz LWMSUMJKAFBRKA-GFCCVEGCSA-N 1 0 222.336 2.218 20 30 BEEDRO C=CCCCCn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000640939230 362077561 /nfs/dbraw/zinc/07/75/61/362077561.db2.gz MDDPUWMKBCUPDK-GFCCVEGCSA-N 1 0 222.336 2.290 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000305063502 136269659 /nfs/dbraw/zinc/26/96/59/136269659.db2.gz QRFHXFVKKOIBDQ-RYUDHWBXSA-N 1 0 221.300 2.354 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1nc2ccccc2n1C ZINC000602867449 349798826 /nfs/dbraw/zinc/79/88/26/349798826.db2.gz CBBMOZFLKKADBN-NSHDSACASA-N 1 0 242.326 2.008 20 30 BEEDRO CC(C)(C)[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339082206 136271202 /nfs/dbraw/zinc/27/12/02/136271202.db2.gz DBDDFTQAIAAPSR-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000339005438 136271232 /nfs/dbraw/zinc/27/12/32/136271232.db2.gz QUKIDSIJSPCLKB-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1C[N@H+](CCOCCC#N)C(C)(C)C1 ZINC000339011410 136271367 /nfs/dbraw/zinc/27/13/67/136271367.db2.gz RSODZLHWTHARMX-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCC[N@H+]1CCOC[C@H]1CCOC ZINC000576936454 365725746 /nfs/dbraw/zinc/72/57/46/365725746.db2.gz XNZOFGJPCYMBCO-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000122850972 343161625 /nfs/dbraw/zinc/16/16/25/343161625.db2.gz WYVLAPKAPOOBMN-QWRGUYRKSA-N 1 0 218.300 2.072 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@H](C)O)C1CC1 ZINC000309039929 136274614 /nfs/dbraw/zinc/27/46/14/136274614.db2.gz KOEHLBARFBPGPJ-MDZLAQPJSA-N 1 0 211.349 2.480 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)[C@@H]1CCCO1 ZINC000309226434 136274931 /nfs/dbraw/zinc/27/49/31/136274931.db2.gz VZZKJAJLQOLEJB-SRVKXCTJSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CCC#N)[C@H]1CCCO1 ZINC000309226433 136274975 /nfs/dbraw/zinc/27/49/75/136274975.db2.gz VZZKJAJLQOLEJB-SDDRHHMPSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CCC#N)[C@H]1CCCO1 ZINC000309226431 136274978 /nfs/dbraw/zinc/27/49/78/136274978.db2.gz VZZKJAJLQOLEJB-GRYCIOLGSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCCC1CCOCC1 ZINC000602870037 349800762 /nfs/dbraw/zinc/80/07/62/349800762.db2.gz KDUCPLZVIALIPJ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CC[N@@H+](C[C@@H](OCC)C1CC1)C1CC1 ZINC000625281069 343218980 /nfs/dbraw/zinc/21/89/80/343218980.db2.gz INSIKHKBNLLTNM-CYBMUJFWSA-N 1 0 209.333 2.452 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)C#N)CC2 ZINC000133254611 343190541 /nfs/dbraw/zinc/19/05/41/343190541.db2.gz YGKHFGJBYHPFRK-BXUZGUMPSA-N 1 0 244.338 2.302 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000602871115 349802566 /nfs/dbraw/zinc/80/25/66/349802566.db2.gz OYJMNLILNNIBNE-NSHDSACASA-N 1 0 226.270 2.411 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387607129 346931887 /nfs/dbraw/zinc/93/18/87/346931887.db2.gz XOUCVXKRJFFMEJ-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO CN(CC1([NH+](C)C)CCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339112381 136280291 /nfs/dbraw/zinc/28/02/91/136280291.db2.gz NQAYZRRSKQFQGC-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000339112325 136280424 /nfs/dbraw/zinc/28/04/24/136280424.db2.gz LDDFLOFTKLIPED-ZDUSSCGKSA-N 1 0 224.348 2.285 20 30 BEEDRO N#Cc1cccc(CC[NH2+][C@@H]2CCCOCC2)c1 ZINC000343543123 343253551 /nfs/dbraw/zinc/25/35/51/343253551.db2.gz XDRIDWMRUFSJBH-OAHLLOKOSA-N 1 0 244.338 2.259 20 30 BEEDRO C=CCCCCCn1cc(C(C)(C)[NH2+]C)nn1 ZINC000641045983 362155476 /nfs/dbraw/zinc/15/54/76/362155476.db2.gz PVKLQTSGNCCEEC-UHFFFAOYSA-N 1 0 236.363 2.479 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CC[C@H](CO)O1 ZINC000340421094 136289473 /nfs/dbraw/zinc/28/94/73/136289473.db2.gz SZTRZGGXTGYYAY-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000340421095 136289573 /nfs/dbraw/zinc/28/95/73/136289573.db2.gz SZTRZGGXTGYYAY-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000641048039 362159080 /nfs/dbraw/zinc/15/90/80/362159080.db2.gz YZGQULWMCOYEKX-UHFFFAOYSA-N 1 0 248.374 2.492 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(F)nc1C ZINC000309230939 343265591 /nfs/dbraw/zinc/26/55/91/343265591.db2.gz WRUMSBROLIAFAN-LLVKDONJSA-N 1 0 206.264 2.031 20 30 BEEDRO COCC1CC[NH+](CCCCC#N)CC1 ZINC000069704117 343289850 /nfs/dbraw/zinc/28/98/50/343289850.db2.gz DPGJZZSUBHJJNP-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C(N)=O)c1ccccc1 ZINC000120137033 136292078 /nfs/dbraw/zinc/29/20/78/136292078.db2.gz SRYOIIVQDZOVQG-CYBMUJFWSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CCC[C@H]([NH2+]CCn1ccnc1)C1CC1 ZINC000119851420 136292264 /nfs/dbraw/zinc/29/22/64/136292264.db2.gz VKDNTRMRTPVTFA-ZDUSSCGKSA-N 1 0 219.332 2.218 20 30 BEEDRO CC[NH+]1CCN(Cc2ccc(C#N)cc2C)CC1 ZINC000165434379 343332270 /nfs/dbraw/zinc/33/22/70/343332270.db2.gz POZVWNCRJARIGS-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO N#CC1(F)CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000348715816 136294205 /nfs/dbraw/zinc/29/42/05/136294205.db2.gz RGHWGIJTHIAZEY-JTQLQIEISA-N 1 0 228.336 2.067 20 30 BEEDRO CC[N@H+](C[C@H](C)O)CC(C)(C)CCC#N ZINC000348714591 136294477 /nfs/dbraw/zinc/29/44/77/136294477.db2.gz NUTFCROBOSCZCE-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(CCC)s1 ZINC000621371402 343308702 /nfs/dbraw/zinc/30/87/02/343308702.db2.gz CJAONYNXSPSCDJ-SNVBAGLBSA-N 1 0 225.357 2.337 20 30 BEEDRO CC[N@H+]1[C@H](C)CN(CC2(CC#N)CC2)C[C@@H]1C ZINC000602873676 349805090 /nfs/dbraw/zinc/80/50/90/349805090.db2.gz IILJCKSQVFVWFB-BETUJISGSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)CN(CC[NH+](C)C)Cc1ccc(C#N)o1 ZINC000348888982 136308199 /nfs/dbraw/zinc/30/81/99/136308199.db2.gz BIAZOLSIGNBTAJ-UHFFFAOYSA-N 1 0 249.358 2.171 20 30 BEEDRO C=C(C)CCn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641070059 362182992 /nfs/dbraw/zinc/18/29/92/362182992.db2.gz UQMSLMJPBBBUEP-CQSZACIVSA-N 1 0 242.326 2.292 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000335848438 344031601 /nfs/dbraw/zinc/03/16/01/344031601.db2.gz UJQMQTSIQFGOTB-LBPRGKRZSA-N 1 0 217.316 2.271 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](CCO)C(C)C ZINC000165462184 343389287 /nfs/dbraw/zinc/38/92/87/343389287.db2.gz BJQFGIQPGNJBEQ-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO C[C@@H]1[C@H]([NH2+]Cc2cc(C#N)cs2)CCCN1C ZINC000344301459 343395292 /nfs/dbraw/zinc/39/52/92/343395292.db2.gz KNDWKYNKEFTYLI-ZWNOBZJWSA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cc2)CCOC1 ZINC000344377868 343397210 /nfs/dbraw/zinc/39/72/10/343397210.db2.gz HPWNOXDRYNYBSN-CQSZACIVSA-N 1 0 230.311 2.074 20 30 BEEDRO C#CCC[N@H+](C)CCOc1ccccc1 ZINC000299235502 343398544 /nfs/dbraw/zinc/39/85/44/343398544.db2.gz SEKOAIJNPXKQJG-UHFFFAOYSA-N 1 0 203.285 2.021 20 30 BEEDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528524879 262935446 /nfs/dbraw/zinc/93/54/46/262935446.db2.gz LTOPWXQTHIFEOS-RYUDHWBXSA-N 1 0 236.359 2.162 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000344580761 343421408 /nfs/dbraw/zinc/42/14/08/343421408.db2.gz PQFLQHHJANTZFC-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000349345772 136342896 /nfs/dbraw/zinc/34/28/96/136342896.db2.gz WMRZYBGACIFVOB-KWCYVHTRSA-N 1 0 229.327 2.294 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000349349385 136342902 /nfs/dbraw/zinc/34/29/02/136342902.db2.gz AQFKRUPXMIPASG-NTZNESFSSA-N 1 0 228.295 2.402 20 30 BEEDRO N#CC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000335721122 136345970 /nfs/dbraw/zinc/34/59/70/136345970.db2.gz ZWJRXFVZTYXHGC-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335726371 136347464 /nfs/dbraw/zinc/34/74/64/136347464.db2.gz YYKQNISOBVIJAM-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)CCOC(C)C)CC1 ZINC000349188661 136331098 /nfs/dbraw/zinc/33/10/98/136331098.db2.gz CXRJLRGCVMESAI-AWEZNQCLSA-N 1 0 241.375 2.060 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000174428849 259360820 /nfs/dbraw/zinc/36/08/20/259360820.db2.gz JRLOUILTLPTYCP-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000349310912 136340817 /nfs/dbraw/zinc/34/08/17/136340817.db2.gz IJEDNPTWEJVAHY-KZVDOYCCSA-N 1 0 236.359 2.472 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000349339183 136342149 /nfs/dbraw/zinc/34/21/49/136342149.db2.gz BXZDLCZOMFYITL-DGAVXFQQSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCC12CCOCC2 ZINC000306758396 133486871 /nfs/dbraw/zinc/48/68/71/133486871.db2.gz OIDFIMZVHBFIHP-JTQLQIEISA-N 1 0 215.724 2.288 20 30 BEEDRO CC1=C[C@H](C)C[C@@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000335878980 136356421 /nfs/dbraw/zinc/35/64/21/136356421.db2.gz CYXKAXWUGAQTSL-DZGCQCFKSA-N 1 0 247.386 2.120 20 30 BEEDRO C=CCNCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000053385733 1172028056 /nfs/dbraw/zinc/02/80/56/1172028056.db2.gz XGHSLNLAAUTWMT-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351185418 136368242 /nfs/dbraw/zinc/36/82/42/136368242.db2.gz QTCOECZUSOZQDB-HNNXBMFYSA-N 1 0 247.338 2.077 20 30 BEEDRO CC#CCCN1CCn2c(C(C)C)nnc2[C@H]1C ZINC000189571894 136372297 /nfs/dbraw/zinc/37/22/97/136372297.db2.gz BFKZAZSWDNOYAO-GFCCVEGCSA-N 1 0 246.358 2.192 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000259634257 136374047 /nfs/dbraw/zinc/37/40/47/136374047.db2.gz AOBDVWATDSAWAW-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCSc2ccccc21 ZINC000289839979 136375521 /nfs/dbraw/zinc/37/55/21/136375521.db2.gz PUZMHLWRRRRPHE-JQWIXIFHSA-N 1 0 235.352 2.360 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCSc2ccccc21 ZINC000289839977 136375600 /nfs/dbraw/zinc/37/56/00/136375600.db2.gz PUZMHLWRRRRPHE-CMPLNLGQSA-N 1 0 235.352 2.360 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1 ZINC000290009822 136375606 /nfs/dbraw/zinc/37/56/06/136375606.db2.gz ZRNCZKASMZQLFD-TZMCWYRMSA-N 1 0 219.328 2.144 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000289914528 136375645 /nfs/dbraw/zinc/37/56/45/136375645.db2.gz RXJYCKZTSQZZLI-KGYLQXTDSA-N 1 0 209.333 2.115 20 30 BEEDRO C[N@H+](CCOCCC#N)CCc1cccs1 ZINC000292701252 136375916 /nfs/dbraw/zinc/37/59/16/136375916.db2.gz DGEFNGLIMMXPEE-UHFFFAOYSA-N 1 0 238.356 2.153 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCn2ccnc21 ZINC000296480595 136376102 /nfs/dbraw/zinc/37/61/02/136376102.db2.gz PCBLCODDESZXHK-MNOVXSKESA-N 1 0 205.305 2.272 20 30 BEEDRO C[C@H]1CCC[C@]1(O)C[NH2+]CC(C)(C)CCC#N ZINC000336890974 136376440 /nfs/dbraw/zinc/37/64/40/136376440.db2.gz IBDUJSFFEZUSRA-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCSC1 ZINC000083640514 343493537 /nfs/dbraw/zinc/49/35/37/343493537.db2.gz CQARNLFKLNCYPI-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1C ZINC000310440757 343496175 /nfs/dbraw/zinc/49/61/75/343496175.db2.gz WJNMPAHPVBRVOI-LBPRGKRZSA-N 1 0 232.327 2.333 20 30 BEEDRO C[NH+](C)[C@H](CNCCC#N)C1CCCCC1 ZINC000568077371 343520761 /nfs/dbraw/zinc/52/07/61/343520761.db2.gz OYTQJTJDHDPGJF-CYBMUJFWSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCC1([NH2+]CCN(C#N)CC)CCCC1 ZINC000602897730 349813940 /nfs/dbraw/zinc/81/39/40/349813940.db2.gz DJGKWLZVGXVBAO-UHFFFAOYSA-N 1 0 221.348 2.268 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192585293 365762695 /nfs/dbraw/zinc/76/26/95/365762695.db2.gz DVIXHYHNNHLVOD-NSHDSACASA-N 1 0 247.342 2.450 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000379966365 365768876 /nfs/dbraw/zinc/76/88/76/365768876.db2.gz ZBLVIMKSLQRQOD-KKOKHZNYSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1csc(C)c1C ZINC000631110829 343580294 /nfs/dbraw/zinc/58/02/94/343580294.db2.gz KJSNMPXQLZSKQW-GFCCVEGCSA-N 1 0 225.357 2.392 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(C)nn(C)c1C ZINC000086110161 343612051 /nfs/dbraw/zinc/61/20/51/343612051.db2.gz MZTIHPWMTGQYPX-UHFFFAOYSA-N 1 0 207.321 2.093 20 30 BEEDRO C[N@H+](CCCC#N)Cc1ccc(C#N)cc1 ZINC000051401107 343625425 /nfs/dbraw/zinc/62/54/25/343625425.db2.gz RVECJRRXSFEVER-UHFFFAOYSA-N 1 0 213.284 2.294 20 30 BEEDRO CO[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602981784 349832978 /nfs/dbraw/zinc/83/29/78/349832978.db2.gz JRIVWBOHLJKQBE-FRRDWIJNSA-N 1 0 222.332 2.035 20 30 BEEDRO C[N@H+](C[C@H](O)C(C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000602981835 349833048 /nfs/dbraw/zinc/83/30/48/349833048.db2.gz KEPUWFUFINGEFM-SRVKXCTJSA-N 1 0 224.348 2.017 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)CC1(OC)CCC1 ZINC000380001916 365793917 /nfs/dbraw/zinc/79/39/17/365793917.db2.gz NISASXCTMAUYCO-VXGBXAGGSA-N 1 0 209.333 2.336 20 30 BEEDRO CCC1([NH+](C)C)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000602966863 349828000 /nfs/dbraw/zinc/82/80/00/349828000.db2.gz UERDGQGIIGMLFV-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCOCCC#N)[C@H]1C ZINC000339004641 343693126 /nfs/dbraw/zinc/69/31/26/343693126.db2.gz HLYOANPVAZYXRZ-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]1CCCCC[N@@H+]1CCOCCC#N ZINC000339000738 343693290 /nfs/dbraw/zinc/69/32/90/343693290.db2.gz VINJELKUWSMEGO-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO Cc1cccnc1C(C)(C)C[NH2+]CCC#N ZINC000516762909 259368429 /nfs/dbraw/zinc/36/84/29/259368429.db2.gz XVJZSWRVZNHQBS-UHFFFAOYSA-N 1 0 217.316 2.171 20 30 BEEDRO C#CC[N@@H+](CC1(SC)CCC1)C1CC1 ZINC000491654483 259368802 /nfs/dbraw/zinc/36/88/02/259368802.db2.gz FJZXSZHAQSATNA-UHFFFAOYSA-N 1 0 209.358 2.370 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625434542 343734894 /nfs/dbraw/zinc/73/48/94/343734894.db2.gz AGYSCNADBXTNLP-UHFFFAOYSA-N 1 0 205.305 2.124 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000602997169 349851310 /nfs/dbraw/zinc/85/13/10/349851310.db2.gz DWJMKQRSVATFPU-MCIONIFRSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CCN(C2CC2)CC1 ZINC000336710273 346960564 /nfs/dbraw/zinc/96/05/64/346960564.db2.gz TVZZUNOKMRXEQL-LLVKDONJSA-N 1 0 208.349 2.167 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000584133480 343764024 /nfs/dbraw/zinc/76/40/24/343764024.db2.gz XVRZSNNQODBJFH-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)nn(C)c2C)C1 ZINC000625699680 344038762 /nfs/dbraw/zinc/03/87/62/344038762.db2.gz CKFCVPPCVLBXBE-ZDUSSCGKSA-N 1 0 233.359 2.435 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC000625699908 344038776 /nfs/dbraw/zinc/03/87/76/344038776.db2.gz DQSRDGVNKDUULL-LBPRGKRZSA-N 1 0 202.301 2.480 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCn2cc(C)cn2)C1 ZINC000625700754 344040553 /nfs/dbraw/zinc/04/05/53/344040553.db2.gz LBQBMICRTNHMKX-ZDUSSCGKSA-N 1 0 219.332 2.090 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCC1CC(O)C1 ZINC000309225207 346996078 /nfs/dbraw/zinc/99/60/78/346996078.db2.gz VVZWGXNBWKTEEY-CPCZMJQVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000625700739 344040597 /nfs/dbraw/zinc/04/05/97/344040597.db2.gz KXGORXPYBCKFEM-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nnc(C)n2CCC)C1 ZINC000625701003 344041237 /nfs/dbraw/zinc/04/12/37/344041237.db2.gz GHBYSSYMUCQTJW-CYBMUJFWSA-N 1 0 248.374 2.395 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000570525998 323062240 /nfs/dbraw/zinc/06/22/40/323062240.db2.gz XVOYKFGTVJUHIM-STQMWFEESA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000334319795 343868790 /nfs/dbraw/zinc/86/87/90/343868790.db2.gz UXWXRIWURYMZLW-CQSZACIVSA-N 1 0 244.338 2.294 20 30 BEEDRO CC1(C)C[C@H]1[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000334315935 343868929 /nfs/dbraw/zinc/86/89/29/343868929.db2.gz OAOCPNZGSXSEAW-GFCCVEGCSA-N 1 0 240.310 2.094 20 30 BEEDRO CC(F)(F)CNCc1ccc(C#N)cc1 ZINC000393533199 343888500 /nfs/dbraw/zinc/88/85/00/343888500.db2.gz YTLGGCTYJXHZQR-UHFFFAOYSA-N 1 0 210.227 2.303 20 30 BEEDRO C[N@H+](CC[C@@H]1CCOC1)Cc1cccc(C#N)c1 ZINC000401019388 529931050 /nfs/dbraw/zinc/93/10/50/529931050.db2.gz WMXCFVATCCNHOG-CYBMUJFWSA-N 1 0 244.338 2.417 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccccc2C#N)C[C@H]1C ZINC000334739216 343902833 /nfs/dbraw/zinc/90/28/33/343902833.db2.gz RITAEJQIGHWYMJ-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@@H]1C ZINC000334739374 343903349 /nfs/dbraw/zinc/90/33/49/343903349.db2.gz SSSYZCXUIKQTBC-SWLSCSKDSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C[C@H]1C ZINC000334739373 343903474 /nfs/dbraw/zinc/90/34/74/343903474.db2.gz SSSYZCXUIKQTBC-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CC[C@H]1C ZINC000307427744 343937579 /nfs/dbraw/zinc/93/75/79/343937579.db2.gz RWLFXCZWQOQUAT-SVRRBLITSA-N 1 0 204.111 2.283 20 30 BEEDRO C[C@@H](CNc1ccc(C#N)cc1F)[NH+](C)C ZINC000038089142 343941629 /nfs/dbraw/zinc/94/16/29/343941629.db2.gz FHEZKAMJHFRYKY-VIFPVBQESA-N 1 0 221.279 2.059 20 30 BEEDRO C=CC[N@@H+](C[C@@H](OCC)C1CC1)[C@@H](C)COC ZINC000625531169 343920024 /nfs/dbraw/zinc/92/00/24/343920024.db2.gz YGJOTKQGBZKOPX-GXTWGEPZSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC000625702538 344046643 /nfs/dbraw/zinc/04/66/43/344046643.db2.gz GXDPIZNNUXZLPM-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000625701460 344042435 /nfs/dbraw/zinc/04/24/35/344042435.db2.gz JXMNSYHLHSJBOL-NEPJUHHUSA-N 1 0 211.349 2.291 20 30 BEEDRO CC(C)(C#N)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335882246 344046696 /nfs/dbraw/zinc/04/66/96/344046696.db2.gz DTSPXXCVTQTRJG-GXTWGEPZSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CCCC[C@H](C)n1cc(CCCC[NH3+])nn1 ZINC000641233196 362285290 /nfs/dbraw/zinc/28/52/90/362285290.db2.gz KXDHTYNINCEOOG-LBPRGKRZSA-N 1 0 236.363 2.477 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000625702446 344046327 /nfs/dbraw/zinc/04/63/27/344046327.db2.gz YFWCBBABLSAZDL-JTQLQIEISA-N 1 0 233.315 2.345 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccnc(OC)c2)C1 ZINC000625702441 344046379 /nfs/dbraw/zinc/04/63/79/344046379.db2.gz GHJWCASUJKCAPN-LBPRGKRZSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CCCC[C@H](C)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641232366 362288032 /nfs/dbraw/zinc/28/80/32/362288032.db2.gz FKCXGQNFMNZKCU-QWHCGFSZSA-N 1 0 248.374 2.347 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000625703008 344047056 /nfs/dbraw/zinc/04/70/56/344047056.db2.gz PKYBPNZWYPJQLN-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000625703009 344047336 /nfs/dbraw/zinc/04/73/36/344047336.db2.gz PKYBPNZWYPJQLN-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)C1 ZINC000625704288 344048847 /nfs/dbraw/zinc/04/88/47/344048847.db2.gz HVAYNPPVNYJNSA-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)on2)C1 ZINC000625704421 344049135 /nfs/dbraw/zinc/04/91/35/344049135.db2.gz SFOBOOXPVCXUME-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)nc(C)n2)C1 ZINC000625701849 344052326 /nfs/dbraw/zinc/05/23/26/344052326.db2.gz LSRNHIRAFXRGHX-CYBMUJFWSA-N 1 0 231.343 2.491 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCc2cncc(C)n2)C1 ZINC000625702067 344052559 /nfs/dbraw/zinc/05/25/59/344052559.db2.gz MSLBITBHXHNJSY-ZDUSSCGKSA-N 1 0 231.343 2.226 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCN2CCCCC2)C1 ZINC000625701920 344052566 /nfs/dbraw/zinc/05/25/66/344052566.db2.gz UNBNARAHJHPQNJ-AWEZNQCLSA-N 1 0 222.376 2.370 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2coc(C)n2)C1 ZINC000625702098 344052935 /nfs/dbraw/zinc/05/29/35/344052935.db2.gz NDMQQZARGQWSSB-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000625702262 344053617 /nfs/dbraw/zinc/05/36/17/344053617.db2.gz WCZAVEWHRDBKDR-LBPRGKRZSA-N 1 0 202.301 2.480 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC1(CC#N)CC1 ZINC000394347273 344117373 /nfs/dbraw/zinc/11/73/73/344117373.db2.gz IULJQGYWUVPRML-MEBFFEOJSA-N 1 0 246.354 2.035 20 30 BEEDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1(CC#N)CC1 ZINC000394346024 344117405 /nfs/dbraw/zinc/11/74/05/344117405.db2.gz GGSFTWGAHJIRCZ-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634744761 344166697 /nfs/dbraw/zinc/16/66/97/344166697.db2.gz JUVVXZONUVDZCL-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000157954840 344133858 /nfs/dbraw/zinc/13/38/58/344133858.db2.gz RUMCLFWWGPFMCZ-DGCLKSJQSA-N 1 0 244.342 2.156 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1cnccn1 ZINC000129364958 344213232 /nfs/dbraw/zinc/21/32/32/344213232.db2.gz LOIJHARVDAJTKQ-SNVBAGLBSA-N 1 0 223.345 2.046 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccncc1 ZINC000129992077 344217333 /nfs/dbraw/zinc/21/73/33/344217333.db2.gz JQHSVNOYRALIDI-LLVKDONJSA-N 1 0 220.341 2.099 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cscn1 ZINC000130016143 344217782 /nfs/dbraw/zinc/21/77/82/344217782.db2.gz BMYROPZMHVVIFU-SECBINFHSA-N 1 0 226.370 2.160 20 30 BEEDRO C[C@H](CCCO)[NH2+]CC(C)(C)CCC#N ZINC000130359983 344220969 /nfs/dbraw/zinc/22/09/69/344220969.db2.gz IFAPBHPQLLXZAO-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C[C@@H](CCCO)[NH2+]CC(C)(C)CCC#N ZINC000130359804 344221058 /nfs/dbraw/zinc/22/10/58/344221058.db2.gz IFAPBHPQLLXZAO-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000130976611 344227677 /nfs/dbraw/zinc/22/76/77/344227677.db2.gz ULLMGSKFDNBTOC-UTUOFQBUSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000126825628 344184259 /nfs/dbraw/zinc/18/42/59/344184259.db2.gz PDFUKOMLDIOUDK-VXGBXAGGSA-N 1 0 208.349 2.167 20 30 BEEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC#CCOC ZINC000309458625 344194834 /nfs/dbraw/zinc/19/48/34/344194834.db2.gz NFSZIWCVZXGKEN-QWHCGFSZSA-N 1 0 241.400 2.290 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634752036 344203878 /nfs/dbraw/zinc/20/38/78/344203878.db2.gz CKTFTWWIWRGMEF-JTQLQIEISA-N 1 0 219.275 2.309 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000309347100 347039143 /nfs/dbraw/zinc/03/91/43/347039143.db2.gz LYAYQHGSROORHF-LBPRGKRZSA-N 1 0 224.348 2.091 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000289321716 344252108 /nfs/dbraw/zinc/25/21/08/344252108.db2.gz FSVMWYNGBIHOOD-ONGXEEELSA-N 1 0 236.340 2.106 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000600734475 344364542 /nfs/dbraw/zinc/36/45/42/344364542.db2.gz CGNRTJAURBDSQK-ZIAGYGMSSA-N 1 0 248.370 2.209 20 30 BEEDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600733588 344364625 /nfs/dbraw/zinc/36/46/25/344364625.db2.gz ALARUFDAZYADEX-JHJVBQTASA-N 1 0 236.359 2.067 20 30 BEEDRO CO[C@H](C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000400123240 344324870 /nfs/dbraw/zinc/32/48/70/344324870.db2.gz MTRRGKGITYNGMV-CYBMUJFWSA-N 1 0 222.332 2.037 20 30 BEEDRO CCC[C@@H](C[NH2+]C[C@@H](C#N)CCC#N)OCC ZINC000600604276 344338853 /nfs/dbraw/zinc/33/88/53/344338853.db2.gz FHNQUMSDTCZVCG-OLZOCXBDSA-N 1 0 237.347 2.225 20 30 BEEDRO Cc1ccccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600713509 344362230 /nfs/dbraw/zinc/36/22/30/344362230.db2.gz ARXVIOURPYGVCZ-AWEZNQCLSA-N 1 0 244.338 2.139 20 30 BEEDRO Cc1cccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)c1 ZINC000600716276 344362235 /nfs/dbraw/zinc/36/22/35/344362235.db2.gz DGYYVCGFSGKURD-CQSZACIVSA-N 1 0 244.338 2.139 20 30 BEEDRO CC(C)CC[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600717797 344362565 /nfs/dbraw/zinc/36/25/65/344362565.db2.gz NKZUFDUWEFEHSW-STQMWFEESA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600726966 344363617 /nfs/dbraw/zinc/36/36/17/344363617.db2.gz WFAAVAZUGCQYKC-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC[C@@H]2CC=CCC2)CC1 ZINC000600763375 344369549 /nfs/dbraw/zinc/36/95/49/344369549.db2.gz UXHMGVXQUJKHNJ-ZIAGYGMSSA-N 1 0 248.370 2.377 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC[C@H]2CC=CCC2)CC1 ZINC000600763374 344369677 /nfs/dbraw/zinc/36/96/77/344369677.db2.gz UXHMGVXQUJKHNJ-UONOGXRCSA-N 1 0 248.370 2.377 20 30 BEEDRO CC(C)C(C)(C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000380977294 344464193 /nfs/dbraw/zinc/46/41/93/344464193.db2.gz AHTOTEZJUVGXNH-UHFFFAOYSA-N 1 0 219.332 2.421 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)[C@@H]1CCOC1 ZINC000135493413 344473933 /nfs/dbraw/zinc/47/39/33/344473933.db2.gz XGVFPCHCVAKLBX-MWLCHTKSSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381159093 344481322 /nfs/dbraw/zinc/48/13/22/344481322.db2.gz QXXANDAZLSMQSZ-NDBYEHHHSA-N 1 0 222.332 2.083 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135499108 344484666 /nfs/dbraw/zinc/48/46/66/344484666.db2.gz JZEUUVBHNRTEJN-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000381349560 344496938 /nfs/dbraw/zinc/49/69/38/344496938.db2.gz ARVVUUUUPXTCFA-SECBINFHSA-N 1 0 218.304 2.063 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCS2)o1 ZINC000135505294 344502118 /nfs/dbraw/zinc/50/21/18/344502118.db2.gz UQPYYUGSMAUCEG-NSHDSACASA-N 1 0 222.313 2.136 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000135511308 344502125 /nfs/dbraw/zinc/50/21/25/344502125.db2.gz RJDWCSKAKARDIX-JOYOIKCWSA-N 1 0 218.275 2.443 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)cc1F ZINC000135511349 344502127 /nfs/dbraw/zinc/50/21/27/344502127.db2.gz RJDWCSKAKARDIX-CABZTGNLSA-N 1 0 218.275 2.443 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C)CCC#N)[C@H]1CCCO1 ZINC000381491783 344512848 /nfs/dbraw/zinc/51/28/48/344512848.db2.gz YEPOSNVAOCENBM-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](C)CO)CCCCC1 ZINC000625935361 344572594 /nfs/dbraw/zinc/57/25/94/344572594.db2.gz XNPLLKUDFNDNQH-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@H](c1cccc(O)c1)N(C)CCC#N ZINC000109781157 344534632 /nfs/dbraw/zinc/53/46/32/344534632.db2.gz NMOUVZJZEPAERS-SNVBAGLBSA-N 1 0 204.273 2.299 20 30 BEEDRO CC#CC[N@H+](Cc1cccnc1)C(C)C ZINC000119767820 344539150 /nfs/dbraw/zinc/53/91/50/344539150.db2.gz NKWYXWJUJBUXCV-UHFFFAOYSA-N 1 0 202.301 2.315 20 30 BEEDRO C=CC[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000037515566 344539996 /nfs/dbraw/zinc/53/99/96/344539996.db2.gz JLVITEWGVTZIQJ-UHFFFAOYSA-N 1 0 244.382 2.469 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC2(CCC2)C1 ZINC000152426553 344557492 /nfs/dbraw/zinc/55/74/92/344557492.db2.gz JQFPWHCPTSMORH-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])CCC ZINC000237035403 344564655 /nfs/dbraw/zinc/56/46/55/344564655.db2.gz QNBZBBMAVHMYHR-LBPRGKRZSA-N 1 0 226.364 2.319 20 30 BEEDRO CC(C)(C)CN(CCC#N)CCn1cccn1 ZINC000111250813 344585945 /nfs/dbraw/zinc/58/59/45/344585945.db2.gz NDHKBXLGTOCNOQ-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1)C1CC1 ZINC000181470443 347060736 /nfs/dbraw/zinc/06/07/36/347060736.db2.gz GVACTXRTBWRXBG-CHWSQXEVSA-N 1 0 247.317 2.091 20 30 BEEDRO N#Cc1cc(Cl)cc(OC[C@@H]2CC[NH2+]C2)c1 ZINC000309446436 347065147 /nfs/dbraw/zinc/06/51/47/347065147.db2.gz POZXKYWOPXSSIG-SECBINFHSA-N 1 0 236.702 2.200 20 30 BEEDRO FCC[C@@H]1CN(CC#Cc2ccccc2)CCO1 ZINC000626004657 344666420 /nfs/dbraw/zinc/66/64/20/344666420.db2.gz LVMKJBBWPRRDTM-OAHLLOKOSA-N 1 0 247.313 2.099 20 30 BEEDRO N#CCC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1 ZINC000181573369 347064605 /nfs/dbraw/zinc/06/46/05/347064605.db2.gz DOPGHPNBGMJFQT-UONOGXRCSA-N 1 0 230.311 2.410 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccnc(C#N)c2)CCS1 ZINC000158414533 344646061 /nfs/dbraw/zinc/64/60/61/344646061.db2.gz VRPTVCOISIVMLH-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC#CCOC ZINC000309458626 347067955 /nfs/dbraw/zinc/06/79/55/347067955.db2.gz NFSZIWCVZXGKEN-STQMWFEESA-N 1 0 241.400 2.290 20 30 BEEDRO CCNC(NC[C@H](C)Oc1ccccc1)=[NH+]CC ZINC000114053911 344682788 /nfs/dbraw/zinc/68/27/88/344682788.db2.gz IZKOVLPBRZLEMS-LBPRGKRZSA-N 1 0 249.358 2.029 20 30 BEEDRO CC[C@H](CNc1ncccc1C#N)[NH+]1CCCC1 ZINC000075677198 344784348 /nfs/dbraw/zinc/78/43/48/344784348.db2.gz OONWHSSQDTWPMY-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2ccc(C#N)cn2)C1 ZINC000076776256 344806580 /nfs/dbraw/zinc/80/65/80/344806580.db2.gz FYWHUZNELVBOIF-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccsc1C ZINC000449524167 344811441 /nfs/dbraw/zinc/81/14/41/344811441.db2.gz ZGGGWDXWLCNBQF-NEPJUHHUSA-N 1 0 223.341 2.490 20 30 BEEDRO C#CC[N@H+]1CC=C(c2ccc(O)cc2)CC1 ZINC000078254260 344838055 /nfs/dbraw/zinc/83/80/55/344838055.db2.gz MJLOGQPTEVRXNL-UHFFFAOYSA-N 1 0 213.280 2.115 20 30 BEEDRO C[C@H]1CC(C)(C)C[C@@](CO)([NH2+]CCC#N)C1 ZINC000408466491 344825784 /nfs/dbraw/zinc/82/57/84/344825784.db2.gz LMLXPZWKPXKUKT-AAEUAGOBSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)c1ccccc1 ZINC000121544731 344928730 /nfs/dbraw/zinc/92/87/30/344928730.db2.gz PMSMHULJVFGORV-UHFFFAOYSA-N 1 0 203.285 2.377 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000382032143 347085507 /nfs/dbraw/zinc/08/55/07/347085507.db2.gz DXHZJQPQLLKMHM-TUAOUCFPSA-N 1 0 224.373 2.411 20 30 BEEDRO C#CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000042634815 344941243 /nfs/dbraw/zinc/94/12/43/344941243.db2.gz RIQZZWWTTMLNDE-HNNXBMFYSA-N 1 0 229.323 2.065 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@](C)(O)C1 ZINC000232530065 534979944 /nfs/dbraw/zinc/97/99/44/534979944.db2.gz YOYAUOPCFPRLDN-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(Br)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000235595006 344950621 /nfs/dbraw/zinc/95/06/21/344950621.db2.gz FGSRZVMUMWXXMB-RKDXNWHRSA-N 1 0 234.137 2.052 20 30 BEEDRO C=CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C1CC1 ZINC000387581693 344984688 /nfs/dbraw/zinc/98/46/88/344984688.db2.gz PYOMOIOWDLEKDS-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCOC(C)(C)C1 ZINC000087608500 534983255 /nfs/dbraw/zinc/98/32/55/534983255.db2.gz IUZUWFLMFWJFRQ-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000089268784 537883004 /nfs/dbraw/zinc/88/30/04/537883004.db2.gz NIIZNUBQXASNDF-JTQLQIEISA-N 1 0 205.305 2.123 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000123775518 345015369 /nfs/dbraw/zinc/01/53/69/345015369.db2.gz WBFQEHBBNWUHGK-RDBSUJKOSA-N 1 0 243.354 2.029 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336375794 534986005 /nfs/dbraw/zinc/98/60/05/534986005.db2.gz GYNLJFPZUASKLB-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000166429364 166211609 /nfs/dbraw/zinc/21/16/09/166211609.db2.gz JJHVEUBNLQYDJU-MRVPVSSYSA-N 1 0 209.676 2.157 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H](CCO)c1ccco1 ZINC000274454573 534987707 /nfs/dbraw/zinc/98/77/07/534987707.db2.gz VTVBPFFUXKBDES-NSHDSACASA-N 1 0 236.315 2.233 20 30 BEEDRO CC#CCCN1CC[N@H+](C)CC12CCCCC2 ZINC000155958443 345116050 /nfs/dbraw/zinc/11/60/50/345116050.db2.gz PBPCLCFMPXDLSF-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C[NH+]1CCC(CNc2ccc(C#N)cc2F)CC1 ZINC000044526252 345106278 /nfs/dbraw/zinc/10/62/78/345106278.db2.gz PQLWEIZMTTZJHO-UHFFFAOYSA-N 1 0 247.317 2.451 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000336709074 534988959 /nfs/dbraw/zinc/98/89/59/534988959.db2.gz PRTHWRWSWKXPCR-OLZOCXBDSA-N 1 0 236.359 2.285 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000087592024 534988641 /nfs/dbraw/zinc/98/86/41/534988641.db2.gz JDNTXFPHZQFURC-ZDUSSCGKSA-N 1 0 232.327 2.249 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1C(C)C)C(C)C ZINC000289341957 345248707 /nfs/dbraw/zinc/24/87/07/345248707.db2.gz IAGACQIYSNWHDB-ZDUSSCGKSA-N 1 0 219.332 2.211 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCC12CCOCC2 ZINC000367090750 345202107 /nfs/dbraw/zinc/20/21/07/345202107.db2.gz CFNQVTXFIMVIAC-GFCCVEGCSA-N 1 0 241.400 2.454 20 30 BEEDRO CC#CC[N@H+](C)CCOc1ccc(C)cc1 ZINC000157475197 345260583 /nfs/dbraw/zinc/26/05/83/345260583.db2.gz LDMHJIHSTGDPTD-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO CC#CCC[NH2+]Cc1cccc(OC)c1OC ZINC000158356146 345322926 /nfs/dbraw/zinc/32/29/26/345322926.db2.gz ILULKTQPVMMDRQ-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO COC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)C(C)C ZINC000381748784 345350767 /nfs/dbraw/zinc/35/07/67/345350767.db2.gz QPCWRYYWKSMCRG-XQQFMLRXSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000228677625 345382282 /nfs/dbraw/zinc/38/22/82/345382282.db2.gz WMAIFINOHLPJAH-MNOVXSKESA-N 1 0 234.347 2.230 20 30 BEEDRO C[C@H](CC#N)N(C)Cc1ccc(C#N)s1 ZINC000132297495 345326027 /nfs/dbraw/zinc/32/60/27/345326027.db2.gz NSLIHGRZURRNII-SECBINFHSA-N 1 0 219.313 2.354 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)CCn1cccn1 ZINC000134636407 345417302 /nfs/dbraw/zinc/41/73/02/345417302.db2.gz DDBRARJCJZNRKB-GFCCVEGCSA-N 1 0 239.388 2.171 20 30 BEEDRO COCC1([NH2+][C@@H](C)c2ccc(C#N)cc2)CC1 ZINC000540749598 323087226 /nfs/dbraw/zinc/08/72/26/323087226.db2.gz IIIOLSUGHMIVRM-NSHDSACASA-N 1 0 230.311 2.388 20 30 BEEDRO CC(C)(C#N)c1ccccc1CN1CCOCC1 ZINC000135094213 345431914 /nfs/dbraw/zinc/43/19/14/345431914.db2.gz IEHQGRFZRAYBHX-UHFFFAOYSA-N 1 0 244.338 2.320 20 30 BEEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000135225533 345435091 /nfs/dbraw/zinc/43/50/91/345435091.db2.gz CIAWELKDICEGCI-ZDUSSCGKSA-N 1 0 244.338 2.054 20 30 BEEDRO CSc1cc(C)ccc1CNC(=[NH2+])N(C)C ZINC000134070216 345397601 /nfs/dbraw/zinc/39/76/01/345397601.db2.gz GQDUQUIBHMZLCR-UHFFFAOYSA-N 1 0 237.372 2.093 20 30 BEEDRO CC[C@@](C)(C#N)C(=O)Nc1ccnc(C)c1 ZINC000136272708 345494501 /nfs/dbraw/zinc/49/45/01/345494501.db2.gz CNSQJXYLDHKAQO-LBPRGKRZSA-N 1 0 217.272 2.268 20 30 BEEDRO CCN(CCC#N)[C@H](C)c1cccnc1 ZINC000081039839 345459029 /nfs/dbraw/zinc/45/90/29/345459029.db2.gz ADKNYOZWJJVWAO-LLVKDONJSA-N 1 0 203.289 2.378 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)C(F)F ZINC000449168241 201825978 /nfs/dbraw/zinc/82/59/78/201825978.db2.gz CWURCEMVHOLDHO-UWVGGRQHSA-N 1 0 221.291 2.337 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)CC(C)C ZINC000081524652 345477096 /nfs/dbraw/zinc/47/70/96/345477096.db2.gz AVWKBMQCHWBBJJ-UHFFFAOYSA-N 1 0 211.353 2.149 20 30 BEEDRO CC[C@H](O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449186037 201831581 /nfs/dbraw/zinc/83/15/81/201831581.db2.gz BYHGQGUQGPXFMA-CPCZMJQVSA-N 1 0 224.348 2.209 20 30 BEEDRO CCc1nccn1[C@@H]1CCCN(C(C)(C)C#N)C1 ZINC000160978916 345519367 /nfs/dbraw/zinc/51/93/67/345519367.db2.gz FZUKJUQHLBKMNB-GFCCVEGCSA-N 1 0 246.358 2.385 20 30 BEEDRO CC1(C)CC[C@H](CNC(N)=[NH2+])c2ccccc21 ZINC000093882584 345666182 /nfs/dbraw/zinc/66/61/82/345666182.db2.gz DLQQDOBEHBXTMX-SNVBAGLBSA-N 1 0 231.343 2.115 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(C)(C)C(=O)NC ZINC000449209503 201837626 /nfs/dbraw/zinc/83/76/26/201837626.db2.gz SHXAVKAIOGNVQJ-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)CC[C@@H](C)O)cc1 ZINC000093481089 345672549 /nfs/dbraw/zinc/67/25/49/345672549.db2.gz KMFZBLRWFRBMOR-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000166532960 166216683 /nfs/dbraw/zinc/21/66/83/166216683.db2.gz XARQTKONTYMECI-QMMMGPOBSA-N 1 0 239.702 2.166 20 30 BEEDRO CC#CC[NH+]1CCC(OC2CCCC2)CC1 ZINC000159977112 345764174 /nfs/dbraw/zinc/76/41/74/345764174.db2.gz BFRXUDJRWCNCJK-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635579044 345877223 /nfs/dbraw/zinc/87/72/23/345877223.db2.gz ZSUREWGYLMSVIA-WCQYABFASA-N 1 0 236.359 2.084 20 30 BEEDRO N#CCCC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000400911683 345900464 /nfs/dbraw/zinc/90/04/64/345900464.db2.gz DZKGZUCJGNNBGC-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCc1cn[nH]c1 ZINC000289564286 345904260 /nfs/dbraw/zinc/90/42/60/345904260.db2.gz APOWYKZKMUVXIJ-GFCCVEGCSA-N 1 0 207.321 2.287 20 30 BEEDRO C=C(Br)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000166925706 345953503 /nfs/dbraw/zinc/95/35/03/345953503.db2.gz HMUPKWLYMYUMHN-XPUUQOCRSA-N 1 0 204.111 2.141 20 30 BEEDRO CC1(C#N)CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000400947306 345933282 /nfs/dbraw/zinc/93/32/82/345933282.db2.gz VVFKVFUXYAGPRT-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000293282898 345943595 /nfs/dbraw/zinc/94/35/95/345943595.db2.gz VOLVCPGPIFJEQF-CYBMUJFWSA-N 1 0 244.338 2.153 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000400951761 345943820 /nfs/dbraw/zinc/94/38/20/345943820.db2.gz XXELHMIGQGESDD-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO OCCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000400954472 345944507 /nfs/dbraw/zinc/94/45/07/345944507.db2.gz GMZUMDLUUOTOMH-UHFFFAOYSA-N 1 0 243.350 2.133 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000585727214 345982504 /nfs/dbraw/zinc/98/25/04/345982504.db2.gz PZAIZDGAEKWPNM-AGIUHOORSA-N 1 0 224.348 2.019 20 30 BEEDRO COc1cncc(C[NH2+]CCCCC#N)c1C ZINC000601106425 346061685 /nfs/dbraw/zinc/06/16/85/346061685.db2.gz WRLLYSWWMVCKQI-UHFFFAOYSA-N 1 0 233.315 2.182 20 30 BEEDRO C=CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC000635767011 346057973 /nfs/dbraw/zinc/05/79/73/346057973.db2.gz XSMMBYBBAZRHBJ-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635770267 346059562 /nfs/dbraw/zinc/05/95/62/346059562.db2.gz LQIJSTHGOBWFIG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCOC1CC(C[N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000586769116 346075471 /nfs/dbraw/zinc/07/54/71/346075471.db2.gz IIGLIOVETYQQGQ-RUXDESIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC#C[C@H](C)N1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000586779086 346099809 /nfs/dbraw/zinc/09/98/09/346099809.db2.gz WWPBRTSLGHSZSD-QCQGSNGOSA-N 1 0 241.400 2.020 20 30 BEEDRO CCCCC[N@@H+](CCC#N)CCCOC ZINC000356364204 535023321 /nfs/dbraw/zinc/02/33/21/535023321.db2.gz JYPNVKFAUUWWEE-UHFFFAOYSA-N 1 0 212.337 2.429 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@@](C)(O)COC ZINC000449384167 201895741 /nfs/dbraw/zinc/89/57/41/201895741.db2.gz MKIVDRKMGWHMJU-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCN(Cc1cccs1)C(=O)[C@@H]([NH3+])CC ZINC000381495080 346109442 /nfs/dbraw/zinc/10/94/42/346109442.db2.gz BNJNESXPJJDHGC-NSHDSACASA-N 1 0 238.356 2.000 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000586793047 346111444 /nfs/dbraw/zinc/11/14/44/346111444.db2.gz XPWRQUAVIIUKKP-VIFPVBQESA-N 1 0 245.282 2.488 20 30 BEEDRO CC[C@](C)(C#N)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000586806983 346130752 /nfs/dbraw/zinc/13/07/52/346130752.db2.gz ZOPVHXLJYXILCG-CYBMUJFWSA-N 1 0 246.314 2.026 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635984500 346137999 /nfs/dbraw/zinc/13/79/99/346137999.db2.gz ASOFWLXRZHPOAQ-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO COc1cncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1C ZINC000601128699 346168609 /nfs/dbraw/zinc/16/86/09/346168609.db2.gz BWJFODASEGMPPS-WCQYABFASA-N 1 0 245.326 2.181 20 30 BEEDRO C=CCC[NH2+][C@](C)(CO)c1ccccc1 ZINC000161311778 346168723 /nfs/dbraw/zinc/16/87/23/346168723.db2.gz KGTUGQAALSOMRJ-CYBMUJFWSA-N 1 0 205.301 2.060 20 30 BEEDRO CC(C)(CO)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449407230 201907780 /nfs/dbraw/zinc/90/77/80/201907780.db2.gz GBSWDLKQVJGJLO-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)on1 ZINC000601124614 346150956 /nfs/dbraw/zinc/15/09/56/346150956.db2.gz HCCASUFOSPKCFZ-QWRGUYRKSA-N 1 0 219.288 2.155 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@@]1(C)CCCS1 ZINC000628231748 346183790 /nfs/dbraw/zinc/18/37/90/346183790.db2.gz ZOYHZNHRZFRFMW-VXGBXAGGSA-N 1 0 229.389 2.046 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1(C#N)CC1 ZINC000309086314 349949916 /nfs/dbraw/zinc/94/99/16/349949916.db2.gz YBOJINRDWVNWRC-UHFFFAOYSA-N 1 0 205.305 2.210 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccncc1N ZINC000641753025 362678523 /nfs/dbraw/zinc/67/85/23/362678523.db2.gz WPHLYIGUOWBYLD-LLVKDONJSA-N 1 0 205.305 2.108 20 30 BEEDRO Cc1cnc(CCN(C)[C@@H](C)CC#N)c(C)c1 ZINC000401159089 346331963 /nfs/dbraw/zinc/33/19/63/346331963.db2.gz IEXOYXWIUUVRGP-ZDUSSCGKSA-N 1 0 231.343 2.475 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccccc1N(C)C ZINC000641759578 362691625 /nfs/dbraw/zinc/69/16/25/362691625.db2.gz GOTVGPAHXYLSKZ-CQSZACIVSA-N 1 0 248.370 2.169 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(O)COC ZINC000381544337 346315820 /nfs/dbraw/zinc/31/58/20/346315820.db2.gz JLAOJXBBWRDCPR-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000289763540 346350205 /nfs/dbraw/zinc/35/02/05/346350205.db2.gz LTNYGCMSCAVAMQ-ONGXEEELSA-N 1 0 209.289 2.094 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000641768004 362698151 /nfs/dbraw/zinc/69/81/51/362698151.db2.gz TYOVNLBAOLVGKA-NWANDNLSSA-N 1 0 235.371 2.343 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000641766840 362699870 /nfs/dbraw/zinc/69/98/70/362699870.db2.gz BVLYWQAYINLFRI-RBSFLKMASA-N 1 0 235.371 2.343 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000641767147 362700214 /nfs/dbraw/zinc/70/02/14/362700214.db2.gz HNVXGLMEKAMKSH-HZSPNIEDSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000641767123 362700263 /nfs/dbraw/zinc/70/02/63/362700263.db2.gz HHVXQORNIRCEIU-AWEZNQCLSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000641767032 362701011 /nfs/dbraw/zinc/70/10/11/362701011.db2.gz FZEXREBYSVIQOM-INIZCTEOSA-N 1 0 243.350 2.428 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc2c1CCC2 ZINC000641767353 362701417 /nfs/dbraw/zinc/70/14/17/362701417.db2.gz JIOLGXYADZFZQF-HNNXBMFYSA-N 1 0 243.350 2.039 20 30 BEEDRO C=CCCC[NH2+]Cc1ncc(Cl)n1C ZINC000281583692 346362503 /nfs/dbraw/zinc/36/25/03/346362503.db2.gz DMCDNHUEAZLQRW-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000641767768 362702463 /nfs/dbraw/zinc/70/24/63/362702463.db2.gz QSFAJCRYTDCMLC-CHWSQXEVSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000641767753 362702506 /nfs/dbraw/zinc/70/25/06/362702506.db2.gz QHLJJIBEEWJWKZ-MBVDDHJVSA-N 1 0 247.313 2.203 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000641767901 362702615 /nfs/dbraw/zinc/70/26/15/362702615.db2.gz SBOSLUBAWNUNQT-RWMBFGLXSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1c(C)cccc1C ZINC000641767621 362703005 /nfs/dbraw/zinc/70/30/05/362703005.db2.gz MUGUDIKOLQNDHO-CQSZACIVSA-N 1 0 231.339 2.167 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc2cc[nH]c21 ZINC000641769752 362704279 /nfs/dbraw/zinc/70/42/79/362704279.db2.gz ZUBJKLIOSLBJQE-AWEZNQCLSA-N 1 0 242.322 2.032 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(C)c1F ZINC000295407911 346403695 /nfs/dbraw/zinc/40/36/95/346403695.db2.gz MUQIQSCAVRNQDO-LBPRGKRZSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000289846645 346391285 /nfs/dbraw/zinc/39/12/85/346391285.db2.gz QFISEUPIIODZKU-WCBMZHEXSA-N 1 0 227.254 2.162 20 30 BEEDRO CC[C@](C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)OC ZINC000449480163 201937024 /nfs/dbraw/zinc/93/70/24/201937024.db2.gz XNSDLYYYYXTWIA-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000580095785 346524003 /nfs/dbraw/zinc/52/40/03/346524003.db2.gz HPHHNRLOOGDBFV-GFCCVEGCSA-N 1 0 241.379 2.015 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000309558577 347101447 /nfs/dbraw/zinc/10/14/47/347101447.db2.gz KIABWHHTANBASY-JQWIXIFHSA-N 1 0 219.332 2.211 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCCC1CCOCC1 ZINC000580641428 365840613 /nfs/dbraw/zinc/84/06/13/365840613.db2.gz REFMFMHXNWJIBW-AWEZNQCLSA-N 1 0 249.358 2.226 20 30 BEEDRO C=CCCC[NH2+]Cc1cnccc1N(C)C ZINC000279234042 166241909 /nfs/dbraw/zinc/24/19/09/166241909.db2.gz ZBXOAXWRBCDUIL-UHFFFAOYSA-N 1 0 219.332 2.203 20 30 BEEDRO CSCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000300898337 346635441 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N#CC1(c2nc([C@@H]3CCC[NH2+]3)no2)CCCCC1 ZINC000592357957 347773715 /nfs/dbraw/zinc/77/37/15/347773715.db2.gz XUHYPVSSBXOZEW-JTQLQIEISA-N 1 0 246.314 2.220 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CO1 ZINC000592367018 347775475 /nfs/dbraw/zinc/77/54/75/347775475.db2.gz LIBVIJAGMXDOFD-RIEGTJTDSA-N 1 0 242.322 2.313 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1sccc1C ZINC000449516789 201948774 /nfs/dbraw/zinc/94/87/74/201948774.db2.gz CGDPSENFIJQMOE-MNOVXSKESA-N 1 0 223.341 2.490 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1Cc1ccncc1C#N ZINC000592067526 347726460 /nfs/dbraw/zinc/72/64/60/347726460.db2.gz YXKCORFBGXZNTD-ZDUSSCGKSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H]1[C@H](C)SCCN1Cc1ccncc1C#N ZINC000592069899 347727172 /nfs/dbraw/zinc/72/71/72/347727172.db2.gz YNDUXDOAXXNNDR-MNOVXSKESA-N 1 0 247.367 2.279 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccncc2C#N)C[C@@H]1C ZINC000592070502 347727664 /nfs/dbraw/zinc/72/76/64/347727664.db2.gz QHOYNFKPZKMNTC-QWRGUYRKSA-N 1 0 215.300 2.041 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592058584 347731508 /nfs/dbraw/zinc/73/15/08/347731508.db2.gz HLYUGRFMSWQAAF-NSHDSACASA-N 1 0 217.316 2.430 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccncc1C#N)[C@@H]1CCCO1 ZINC000592098988 347733120 /nfs/dbraw/zinc/73/31/20/347733120.db2.gz ITPRTQRVMDILQU-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C[N@H+](CCC[C@@H]1CCOC1)CC(C)(C)C#N ZINC000592121689 347736483 /nfs/dbraw/zinc/73/64/83/347736483.db2.gz AZKOPCFLYNJNRS-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1ccncc1C#N)C(C)C ZINC000592123639 347737440 /nfs/dbraw/zinc/73/74/40/347737440.db2.gz WSPPRQGDWVINPH-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000592151024 347742747 /nfs/dbraw/zinc/74/27/47/347742747.db2.gz JGOGLYLUCPHZBO-MGPQQGTHSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000449516705 201950062 /nfs/dbraw/zinc/95/00/62/201950062.db2.gz BVLOKZZUYAUOGP-OLZOCXBDSA-N 1 0 239.265 2.398 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1C ZINC000592153045 347743566 /nfs/dbraw/zinc/74/35/66/347743566.db2.gz IEHBOAHTQDNTFA-HNNXBMFYSA-N 1 0 244.338 2.154 20 30 BEEDRO CC[N@H+](CCSC)[C@@H](C)CCC#N ZINC000592201854 347753991 /nfs/dbraw/zinc/75/39/91/347753991.db2.gz IJYZTWHLFIHWCT-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(=O)N1CCCC1 ZINC000343509480 133692521 /nfs/dbraw/zinc/69/25/21/133692521.db2.gz REFYFGGHOQYFKX-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@H]1C[N@H+](CCCC#N)CC2(CCCC2)O1 ZINC000592186155 347760689 /nfs/dbraw/zinc/76/06/89/347760689.db2.gz AIPHGGVENJDHHE-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000449521251 201953158 /nfs/dbraw/zinc/95/31/58/201953158.db2.gz RLZXCYUFSPWYDS-LPWJVIDDSA-N 1 0 209.333 2.498 20 30 BEEDRO CC1(C)CC[C@H](C[NH+]2CCC(C#N)CC2)O1 ZINC000160371518 347803350 /nfs/dbraw/zinc/80/33/50/347803350.db2.gz WSMBAWKBWYHURW-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]1COC(C)(C)CN1CC1(C#N)CC1 ZINC000593058311 347847887 /nfs/dbraw/zinc/84/78/87/347847887.db2.gz LIATXWPEVZTZSV-NSHDSACASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[N@H+](CCCSCC#N)[C@H]1CCCOC1 ZINC000593067839 347850335 /nfs/dbraw/zinc/85/03/35/347850335.db2.gz LPNXVNIMRMEAHR-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO C[C@@H](CO)C1CC[NH+](CCCCC#N)CC1 ZINC000593084142 347851937 /nfs/dbraw/zinc/85/19/37/347851937.db2.gz NIMDESFXNVPYLK-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)C[C@H](C[NH3+])NCc1cccc(C#N)c1 ZINC000592986250 347836719 /nfs/dbraw/zinc/83/67/19/347836719.db2.gz XXPBQZSULPDVBJ-CQSZACIVSA-N 1 0 231.343 2.021 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(CC3(F)F)C2)C1 ZINC000593118316 347862436 /nfs/dbraw/zinc/86/24/36/347862436.db2.gz QEJYUUSUTPVRFW-GMTAPVOTSA-N 1 0 226.270 2.410 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118440 347862452 /nfs/dbraw/zinc/86/24/52/347862452.db2.gz REAKSXDCEHMUSN-VHSXEESVSA-N 1 0 214.259 2.410 20 30 BEEDRO N#Cc1cccc2c1CN(CC1=CCCOC1)C2 ZINC000593698905 347930599 /nfs/dbraw/zinc/93/05/99/347930599.db2.gz XMZDJFXIRHFDCB-UHFFFAOYSA-N 1 0 240.306 2.221 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000593681894 347932424 /nfs/dbraw/zinc/93/24/24/347932424.db2.gz LYFCGFFHVBWOEV-MRVWCRGKSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000593595584 347915577 /nfs/dbraw/zinc/91/55/77/347915577.db2.gz OWSVFWMHAKPKRA-DZGCQCFKSA-N 1 0 247.386 2.309 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([N@@H+](C)[C@@H](C)C[S@@](C)=O)C1 ZINC000593614929 347915633 /nfs/dbraw/zinc/91/56/33/347915633.db2.gz IHYIKQWTMMVKGU-RSUWNVLCSA-N 1 0 243.416 2.430 20 30 BEEDRO Cn1ccc(C[NH2+]CC2(C#N)CCCC2)c1 ZINC000593652602 347921515 /nfs/dbraw/zinc/92/15/15/347921515.db2.gz CUDDXAPDLORLMV-UHFFFAOYSA-N 1 0 217.316 2.199 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC000593654481 347921933 /nfs/dbraw/zinc/92/19/33/347921933.db2.gz DGXHUHZLPPAMJS-NEPJUHHUSA-N 1 0 217.316 2.352 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000593658511 347923363 /nfs/dbraw/zinc/92/33/63/347923363.db2.gz QMKPZGXBJHYELB-DGAVXFQQSA-N 1 0 238.375 2.455 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000593667083 347924369 /nfs/dbraw/zinc/92/43/69/347924369.db2.gz SSDBJOQFMXIJJW-KCPJHIHWSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@@H]1C ZINC000449549500 201962070 /nfs/dbraw/zinc/96/20/70/201962070.db2.gz YNWCJMZLABVCDX-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000593980142 347986243 /nfs/dbraw/zinc/98/62/43/347986243.db2.gz MAHCGHMPZJPZLT-AWEZNQCLSA-N 1 0 227.311 2.494 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)nc1 ZINC000594016153 347989972 /nfs/dbraw/zinc/98/99/72/347989972.db2.gz ULPGNHDPWMHOSI-IACUBPJLSA-N 1 0 227.311 2.231 20 30 BEEDRO CCC(C)(C)[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000594021600 347991068 /nfs/dbraw/zinc/99/10/68/347991068.db2.gz WRPXCTVOXKZJBH-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO CCC(C)(C)[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000594021601 347991532 /nfs/dbraw/zinc/99/15/32/347991532.db2.gz WRPXCTVOXKZJBH-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000594500971 348064228 /nfs/dbraw/zinc/06/42/28/348064228.db2.gz DDKSLYKFYSSWBG-LLVKDONJSA-N 1 0 230.315 2.001 20 30 BEEDRO C=CC[NH2+]C1(c2ccc(OC)cc2)CCOCC1 ZINC000594383626 348040474 /nfs/dbraw/zinc/04/04/74/348040474.db2.gz JHVNHYJQOZQEHB-UHFFFAOYSA-N 1 0 247.338 2.477 20 30 BEEDRO C[NH2+]Cc1ccccc1NC(=O)CCCCC#N ZINC000594427929 348045008 /nfs/dbraw/zinc/04/50/08/348045008.db2.gz YBNUHZGZZLVKPU-UHFFFAOYSA-N 1 0 245.326 2.428 20 30 BEEDRO CCC[C@H](CC)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594430892 348045908 /nfs/dbraw/zinc/04/59/08/348045908.db2.gz CUVBPIQMXPWBLX-NWDGAFQWSA-N 1 0 239.363 2.093 20 30 BEEDRO C[NH2+]Cc1cccc(NC(=O)CCCCC#N)c1 ZINC000594424652 348051030 /nfs/dbraw/zinc/05/10/30/348051030.db2.gz HLPAINCELCSTKN-UHFFFAOYSA-N 1 0 245.326 2.428 20 30 BEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cccc(F)c1 ZINC000594425549 348051925 /nfs/dbraw/zinc/05/19/25/348051925.db2.gz KVAFMZRCCVYNSE-LBPRGKRZSA-N 1 0 249.289 2.175 20 30 BEEDRO C[C@H](CCO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594512280 348061319 /nfs/dbraw/zinc/06/13/19/348061319.db2.gz IYXKTSOUGHJFDY-GFCCVEGCSA-N 1 0 246.354 2.348 20 30 BEEDRO COCC[C@@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000594708560 348103537 /nfs/dbraw/zinc/10/35/37/348103537.db2.gz BAMBSCYRNDEFKU-GFCCVEGCSA-N 1 0 232.327 2.115 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)CCOC ZINC000594709285 348104424 /nfs/dbraw/zinc/10/44/24/348104424.db2.gz FJJCGRDLKMWYKH-LLVKDONJSA-N 1 0 217.378 2.310 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594732200 348109074 /nfs/dbraw/zinc/10/90/74/348109074.db2.gz VCSSWOGALOJTNT-ZOBORPQBSA-N 1 0 231.343 2.456 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594609969 348082349 /nfs/dbraw/zinc/08/23/49/348082349.db2.gz PFYNLJSTLIVYTE-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000594610957 348082372 /nfs/dbraw/zinc/08/23/72/348082372.db2.gz AFUHNOQBLTYFFD-UWVGGRQHSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C#N)CS1 ZINC000594611645 348082582 /nfs/dbraw/zinc/08/25/82/348082582.db2.gz JILKYPJUFUEHFL-NXEZZACHSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@@H](O)C[N@H+](CC(C)(C)CCC#N)C1CC1 ZINC000594617058 348084124 /nfs/dbraw/zinc/08/41/24/348084124.db2.gz ZTCYAALBAOMHNA-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO N#CC1(c2ccc(C[NH2+][C@@H]3CCOC3)cc2)CC1 ZINC000594935147 348141433 /nfs/dbraw/zinc/14/14/33/348141433.db2.gz HGEKVXLSBJKANY-CQSZACIVSA-N 1 0 242.322 2.120 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccnn1CC1CC1 ZINC000594946864 348146148 /nfs/dbraw/zinc/14/61/48/348146148.db2.gz TUQOPZMLFUTSSN-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO COCC1([NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000594950883 348147159 /nfs/dbraw/zinc/14/71/59/348147159.db2.gz JYJKDVVZVGPGBG-UHFFFAOYSA-N 1 0 234.299 2.200 20 30 BEEDRO COCC(C)(C)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594954096 348148393 /nfs/dbraw/zinc/14/83/93/348148393.db2.gz ALVJSVYYWBLGDM-UHFFFAOYSA-N 1 0 246.354 2.363 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@]23C[C@@H]2CCC3)n1 ZINC000594954332 348148595 /nfs/dbraw/zinc/14/85/95/348148595.db2.gz YLZNDARXLHMTIF-KWQFWETISA-N 1 0 219.313 2.047 20 30 BEEDRO N#Cc1ccc(CC[NH2+]CC2CC2)cc1 ZINC000594954108 348148665 /nfs/dbraw/zinc/14/86/65/348148665.db2.gz BAVOTFBFVAFGNX-UHFFFAOYSA-N 1 0 200.285 2.100 20 30 BEEDRO Cc1nocc1C[NH2+]CCc1ccc(C#N)cc1 ZINC000594956210 348149135 /nfs/dbraw/zinc/14/91/35/348149135.db2.gz VYARNNOECHUEPE-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccc(CO)o1 ZINC000594960055 348150214 /nfs/dbraw/zinc/15/02/14/348150214.db2.gz INHJUSBKCVIVRA-UHFFFAOYSA-N 1 0 241.356 2.171 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cn(C)nc1C ZINC000594959791 348150428 /nfs/dbraw/zinc/15/04/28/348150428.db2.gz DZKPDQRSKSHTNC-UHFFFAOYSA-N 1 0 239.388 2.127 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCO[C@H]1C ZINC000594960344 348150825 /nfs/dbraw/zinc/15/08/25/348150825.db2.gz OOIWYRZVXUYGBF-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cccn1C ZINC000594960478 348150909 /nfs/dbraw/zinc/15/09/09/348150909.db2.gz RBOXFUMTOMSOJB-UHFFFAOYSA-N 1 0 224.373 2.424 20 30 BEEDRO Cn1ncc(C2CC2)c1C[NH2+]CCCCC#N ZINC000594919685 348154489 /nfs/dbraw/zinc/15/44/89/348154489.db2.gz JKSIBCKZKUGUBS-UHFFFAOYSA-N 1 0 232.331 2.081 20 30 BEEDRO CCCn1nccc1C[NH2+]CCCCC#N ZINC000594921001 348155295 /nfs/dbraw/zinc/15/52/95/348155295.db2.gz OUQQFOSNRISBMR-UHFFFAOYSA-N 1 0 220.320 2.077 20 30 BEEDRO CC(C)(CO)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594922855 348156358 /nfs/dbraw/zinc/15/63/58/348156358.db2.gz HSOUXLDLVFLTJB-UHFFFAOYSA-N 1 0 244.338 2.102 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000594923459 348156421 /nfs/dbraw/zinc/15/64/21/348156421.db2.gz YGLGIZCVEPXWID-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO CCOCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594925164 348157422 /nfs/dbraw/zinc/15/74/22/348157422.db2.gz LSGVRIAWZZYYBU-UHFFFAOYSA-N 1 0 244.338 2.368 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000594968068 348161301 /nfs/dbraw/zinc/16/13/01/348161301.db2.gz DMYPNIBQFRPULW-HDJSIYSDSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CO[C@H](CC)C1 ZINC000594968522 348161323 /nfs/dbraw/zinc/16/13/23/348161323.db2.gz QNNQHSRGHHKJFW-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCOCCC[NH2+]CC(C)(C)CCC#N ZINC000594975603 348162845 /nfs/dbraw/zinc/16/28/45/348162845.db2.gz XBKNQQXYHDVOHK-UHFFFAOYSA-N 1 0 224.348 2.499 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000594986303 348165745 /nfs/dbraw/zinc/16/57/45/348165745.db2.gz DELOKMQDALBGPZ-QPPOZKHWSA-N 1 0 248.370 2.352 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CSCCF ZINC000595044970 348179335 /nfs/dbraw/zinc/17/93/35/348179335.db2.gz PVLUIHMEHMYNEG-SRVKXCTJSA-N 1 0 247.379 2.258 20 30 BEEDRO CC(C)(C)N1CC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595047913 348179742 /nfs/dbraw/zinc/17/97/42/348179742.db2.gz HTOLRLQOGXNGJS-FRRDWIJNSA-N 1 0 235.375 2.141 20 30 BEEDRO CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595047916 348179815 /nfs/dbraw/zinc/17/98/15/348179815.db2.gz HTOLRLQOGXNGJS-YNEHKIRRSA-N 1 0 235.375 2.141 20 30 BEEDRO COC1CC(CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000595047901 348179827 /nfs/dbraw/zinc/17/98/27/348179827.db2.gz HKJDJLPREMCZOH-CMOBGSAGSA-N 1 0 222.332 2.083 20 30 BEEDRO CCOC1CCC([NH2+]CCCC#N)CC1 ZINC000595033642 348175359 /nfs/dbraw/zinc/17/53/59/348175359.db2.gz QYTZAKNETOWYEP-UHFFFAOYSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)CCCO1 ZINC000595306576 348222559 /nfs/dbraw/zinc/22/25/59/348222559.db2.gz OWHBGLPVVSRUJG-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO COCC(C)(C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595307431 348223233 /nfs/dbraw/zinc/22/32/33/348223233.db2.gz VRWDLDXFEZXPBQ-UHFFFAOYSA-N 1 0 232.327 2.115 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000595049760 348180537 /nfs/dbraw/zinc/18/05/37/348180537.db2.gz OIWZXRYXZKXKCY-JHJVBQTASA-N 1 0 229.327 2.467 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCSC1 ZINC000595057713 348182964 /nfs/dbraw/zinc/18/29/64/348182964.db2.gz CVYYAFRFXGGFDJ-SNVBAGLBSA-N 1 0 217.403 2.391 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595059147 348183774 /nfs/dbraw/zinc/18/37/74/348183774.db2.gz LTCBIEMJAYENCF-OLZOCXBDSA-N 1 0 242.432 2.368 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000595058662 348183814 /nfs/dbraw/zinc/18/38/14/348183814.db2.gz IJUGWHAHKAKJSC-NEPJUHHUSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCC[NH2+][C@H](CC)C1(C(=O)OC)CCC1 ZINC000595059395 348183889 /nfs/dbraw/zinc/18/38/89/348183889.db2.gz NMOQFPTYHWBOOR-LLVKDONJSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](COC)C1CC1 ZINC000595060162 348184364 /nfs/dbraw/zinc/18/43/64/348184364.db2.gz SSNLJISYPNBPJU-LBPRGKRZSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000595061063 348185265 /nfs/dbraw/zinc/18/52/65/348185265.db2.gz XXYNXQAMIFUGLT-NWDGAFQWSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCCn2nccc21 ZINC000595014025 348185847 /nfs/dbraw/zinc/18/58/47/348185847.db2.gz KZQRPGVJPYSWAR-NSHDSACASA-N 1 0 237.372 2.227 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(C#N)cc1 ZINC000595068402 348187283 /nfs/dbraw/zinc/18/72/83/348187283.db2.gz OMQIHKMTDGDLMS-NEPJUHHUSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)C1(CO)CC1 ZINC000595070396 348188004 /nfs/dbraw/zinc/18/80/04/348188004.db2.gz UOMVPTPAPOOPDU-NWDGAFQWSA-N 1 0 244.338 2.370 20 30 BEEDRO Cc1ccncc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595071268 348188200 /nfs/dbraw/zinc/18/82/00/348188200.db2.gz CAHVTHYQNNWFOT-JSGCOSHPSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595077877 348189771 /nfs/dbraw/zinc/18/97/71/348189771.db2.gz QUUMXZJYDNDGID-CHWSQXEVSA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1(F)F ZINC000595081223 348190448 /nfs/dbraw/zinc/19/04/48/348190448.db2.gz QQUWZSQTMMKBBX-KXUCPTDWSA-N 1 0 214.259 2.314 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](CO)CC2CC2)C1 ZINC000595089408 348190500 /nfs/dbraw/zinc/19/05/00/348190500.db2.gz OHNAEYVGSVWGEX-MGPQQGTHSA-N 1 0 236.359 2.067 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000595092422 348192727 /nfs/dbraw/zinc/19/27/27/348192727.db2.gz WWUVRRYIYSYAAX-VXGBXAGGSA-N 1 0 204.273 2.104 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000595092421 348192802 /nfs/dbraw/zinc/19/28/02/348192802.db2.gz WWUVRRYIYSYAAX-RYUDHWBXSA-N 1 0 204.273 2.104 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000595092862 348192823 /nfs/dbraw/zinc/19/28/23/348192823.db2.gz ZFWKYOJDCAJZAE-CHWSQXEVSA-N 1 0 218.300 2.494 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595104983 348196756 /nfs/dbraw/zinc/19/67/56/348196756.db2.gz BZFZNICAKSUNRI-QJPTWQEYSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C#N)cc1 ZINC000595105741 348196854 /nfs/dbraw/zinc/19/68/54/348196854.db2.gz XSQFMNJBISIIMY-IHRRRGAJSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000595109132 348197555 /nfs/dbraw/zinc/19/75/55/348197555.db2.gz UKKCTLWEPIFJBQ-UKRRQHHQSA-N 1 0 242.322 2.072 20 30 BEEDRO CC[N@@H+]1CCN([C@H](C#N)c2ccccc2)C[C@H]1C ZINC000595389997 348242977 /nfs/dbraw/zinc/24/29/77/348242977.db2.gz RWUMIOVNQPSJOQ-UKRRQHHQSA-N 1 0 243.354 2.277 20 30 BEEDRO CC[N@@H+]1CCN([C@@H](C#N)c2ccccc2)C[C@@H]1C ZINC000595389998 348243120 /nfs/dbraw/zinc/24/31/20/348243120.db2.gz RWUMIOVNQPSJOQ-ZFWWWQNUSA-N 1 0 243.354 2.277 20 30 BEEDRO CC1(C)C[C@H]([NH+]2CCC(CC#N)CC2)CO1 ZINC000595425996 348246850 /nfs/dbraw/zinc/24/68/50/348246850.db2.gz NHVNQFMQQQZNSY-LBPRGKRZSA-N 1 0 222.332 2.180 20 30 BEEDRO N#Cc1ccc(CC[N@H+]2CC=CCC2)cc1 ZINC000595431062 348249065 /nfs/dbraw/zinc/24/90/65/348249065.db2.gz 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/nfs/dbraw/zinc/59/88/82/348598882.db2.gz XZJIJGRJQMOFBR-UONOGXRCSA-N 1 0 244.338 2.116 20 30 BEEDRO C[C@@H]1CC[NH2+]CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000596654249 348607879 /nfs/dbraw/zinc/60/78/79/348607879.db2.gz ZGYOFKUGSJUBKK-KGLIPLIRSA-N 1 0 249.402 2.438 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597046724 348652829 /nfs/dbraw/zinc/65/28/29/348652829.db2.gz JQJNTKMFFZVGRW-LSDHHAIUSA-N 1 0 242.322 2.215 20 30 BEEDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000597084319 348655422 /nfs/dbraw/zinc/65/54/22/348655422.db2.gz XYDPHAGANFJGTB-WDEREUQCSA-N 1 0 240.347 2.104 20 30 BEEDRO Cc1ccc(C[NH+]2CC(CC#N)C2)cc1 ZINC000597193362 348671342 /nfs/dbraw/zinc/67/13/42/348671342.db2.gz QUSIATACOCQEKW-UHFFFAOYSA-N 1 0 200.285 2.341 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000597131099 348660135 /nfs/dbraw/zinc/66/01/35/348660135.db2.gz SNBZLBBKDZOTMM-STQMWFEESA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CO)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131475 348660190 /nfs/dbraw/zinc/66/01/90/348660190.db2.gz WNZZICSBJBORTD-GFCCVEGCSA-N 1 0 244.338 2.054 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000597133280 348660380 /nfs/dbraw/zinc/66/03/80/348660380.db2.gz XHBVZIZYPPCPHV-BBNOBNGHSA-N 1 0 248.370 2.473 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000272872845 187399743 /nfs/dbraw/zinc/39/97/43/187399743.db2.gz AYMPEDUIKKTHRY-OCCSQVGLSA-N 1 0 217.312 2.376 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000273427936 187399859 /nfs/dbraw/zinc/39/98/59/187399859.db2.gz KOXOMRVHTVBBGB-GWCFXTLKSA-N 1 0 248.301 2.285 20 30 BEEDRO Cn1cccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597172820 348668901 /nfs/dbraw/zinc/66/89/01/348668901.db2.gz FSKSDXICNVZEJK-LBPRGKRZSA-N 1 0 217.316 2.151 20 30 BEEDRO C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccc(C#N)o1)C2 ZINC000597195492 348672222 /nfs/dbraw/zinc/67/22/22/348672222.db2.gz JEYWFPCUPAFAKV-OKILXGFUSA-N 1 0 246.310 2.010 20 30 BEEDRO CCc1nn(C)cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597176969 348669428 /nfs/dbraw/zinc/66/94/28/348669428.db2.gz KQKMSWFOMCCLRJ-GFCCVEGCSA-N 1 0 246.358 2.108 20 30 BEEDRO COCC(C)(C)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000597176656 348669554 /nfs/dbraw/zinc/66/95/54/348669554.db2.gz JCNLMNJQRVKKOA-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(CC)s1 ZINC000309027528 323194453 /nfs/dbraw/zinc/19/44/53/323194453.db2.gz BOOINTVEFDSYSI-SNVBAGLBSA-N 1 0 225.357 2.337 20 30 BEEDRO CCOC1CC(C[NH2+][C@@H](CC)CC#N)C1 ZINC000309026548 323194512 /nfs/dbraw/zinc/19/45/12/323194512.db2.gz AXOAMBQTQTUKJN-CXQJBGSLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000119385832 348721169 /nfs/dbraw/zinc/72/11/69/348721169.db2.gz RWDFWBVQPDGBAG-CQSZACIVSA-N 1 0 247.338 2.208 20 30 BEEDRO Cc1ccc(CCC[NH+]2CC(CC#N)C2)cn1 ZINC000597203753 348677648 /nfs/dbraw/zinc/67/76/48/348677648.db2.gz OFJIDGGXXZARPB-UHFFFAOYSA-N 1 0 229.327 2.168 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CC[C@H]1SC ZINC000597210645 348679987 /nfs/dbraw/zinc/67/99/87/348679987.db2.gz UUCLXRNSQQPUKJ-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597242414 348686687 /nfs/dbraw/zinc/68/66/87/348686687.db2.gz KLTJPYSPVXJTNL-SRVKXCTJSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C(=O)OC)C2)C1 ZINC000597242575 348686817 /nfs/dbraw/zinc/68/68/17/348686817.db2.gz CFINHUMVNGDCBQ-FVCCEPFGSA-N 1 0 237.343 2.272 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC000597229016 348697117 /nfs/dbraw/zinc/69/71/17/348697117.db2.gz GCPIBUMOQRMEJZ-RYUDHWBXSA-N 1 0 248.351 2.088 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000597230464 348698577 /nfs/dbraw/zinc/69/85/77/348698577.db2.gz LVLFUFHMDHVSQB-CHWSQXEVSA-N 1 0 236.359 2.285 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H](C)CC#N)cc1 ZINC000308840480 348772165 /nfs/dbraw/zinc/77/21/65/348772165.db2.gz JWFDPEHPRRGGEQ-GFCCVEGCSA-N 1 0 202.301 2.429 20 30 BEEDRO Cc1cc(NC(=O)[C@@H](C)CC#N)cn2ccnc12 ZINC000597699059 348796149 /nfs/dbraw/zinc/79/61/49/348796149.db2.gz SZNYBYMTQXIBOO-VIFPVBQESA-N 1 0 242.282 2.131 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000184266979 348748278 /nfs/dbraw/zinc/74/82/78/348748278.db2.gz RARDDKRHFZZBTN-SECBINFHSA-N 1 0 245.244 2.131 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1CCCC[C@H]1O ZINC000053883137 348749897 /nfs/dbraw/zinc/74/98/97/348749897.db2.gz FUEKNEUMLZZTRZ-QWHCGFSZSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1CCCC[C@H]1O ZINC000053883139 348750001 /nfs/dbraw/zinc/75/00/01/348750001.db2.gz FUEKNEUMLZZTRZ-CHWSQXEVSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1CCCC[C@@H]1O ZINC000053883136 348750017 /nfs/dbraw/zinc/75/00/17/348750017.db2.gz FUEKNEUMLZZTRZ-OLZOCXBDSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(F)c(F)cc1F ZINC000184267661 348755536 /nfs/dbraw/zinc/75/55/36/348755536.db2.gz SOWOAHKUFDKPNY-VIFPVBQESA-N 1 0 245.244 2.131 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(F)c(C)c1 ZINC000184269584 348756228 /nfs/dbraw/zinc/75/62/28/348756228.db2.gz QDTCKFHKHBRGNZ-GFCCVEGCSA-N 1 0 223.291 2.161 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421710981 192375307 /nfs/dbraw/zinc/37/53/07/192375307.db2.gz NJPADPIZOSOZNA-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(CC)cc1 ZINC000184272070 348761510 /nfs/dbraw/zinc/76/15/10/348761510.db2.gz YSLMTRLGGBOMQJ-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000054180108 348891272 /nfs/dbraw/zinc/89/12/72/348891272.db2.gz VFFXNKXNBUPDAC-NEPJUHHUSA-N 1 0 232.327 2.463 20 30 BEEDRO COc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000054181165 348896139 /nfs/dbraw/zinc/89/61/39/348896139.db2.gz UDNFJLWIJBFCBH-VXGBXAGGSA-N 1 0 232.327 2.375 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000598622541 349002558 /nfs/dbraw/zinc/00/25/58/349002558.db2.gz QFFHHIMJLHBQRV-FVCCEPFGSA-N 1 0 236.359 2.065 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585935 348994709 /nfs/dbraw/zinc/99/47/09/348994709.db2.gz BVXWMVLXUNFZIF-CMPLNLGQSA-N 1 0 224.348 2.017 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598586225 348994795 /nfs/dbraw/zinc/99/47/95/348994795.db2.gz FGVZWIOBHKAANW-UPJWGTAASA-N 1 0 238.375 2.265 20 30 BEEDRO CC(C)CC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586102 348995111 /nfs/dbraw/zinc/99/51/11/348995111.db2.gz ONGPUIZPKRNPKK-LBPRGKRZSA-N 1 0 226.364 2.265 20 30 BEEDRO CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598589253 348996694 /nfs/dbraw/zinc/99/66/94/348996694.db2.gz HFTOCHRTRZLKBM-GFCCVEGCSA-N 1 0 224.348 2.162 20 30 BEEDRO CCC[NH+](CCC)C[C@@H](O)CC(C)(C)C#N ZINC000598590978 348997857 /nfs/dbraw/zinc/99/78/57/348997857.db2.gz XJRAVSQDDRAVTD-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000598592896 348998650 /nfs/dbraw/zinc/99/86/50/348998650.db2.gz MVFMZKVNSITRSL-XQQFMLRXSA-N 1 0 236.359 2.019 20 30 BEEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CCC1 ZINC000598592887 348998712 /nfs/dbraw/zinc/99/87/12/348998712.db2.gz NXNIEVCVMRZMPA-LBPRGKRZSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598593857 348998730 /nfs/dbraw/zinc/99/87/30/348998730.db2.gz XPEAEGJHWPOISM-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)C1 ZINC000598622071 349003010 /nfs/dbraw/zinc/00/30/10/349003010.db2.gz KVWGGZWNGFIPTC-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO CC1=C[C@@H](C)C[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598611718 348999768 /nfs/dbraw/zinc/99/97/68/348999768.db2.gz OLYBZNAJNCHMMD-DGCLKSJQSA-N 1 0 236.359 2.185 20 30 BEEDRO Cc1cc(CN2CC[C@@](C)(C#N)C2)ccn1 ZINC000598628517 349004715 /nfs/dbraw/zinc/00/47/15/349004715.db2.gz PAENIOPBXRMKOS-ZDUSSCGKSA-N 1 0 215.300 2.126 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC(C)(C)C#N ZINC000598627646 349004740 /nfs/dbraw/zinc/00/47/40/349004740.db2.gz IQIUGSDPFGACAI-MJBXVCDLSA-N 1 0 248.370 2.470 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1ccccn1 ZINC000598604068 349006250 /nfs/dbraw/zinc/00/62/50/349006250.db2.gz PADZNCRUYUVBCB-NEPJUHHUSA-N 1 0 247.342 2.033 20 30 BEEDRO C[C@@H]1CCCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598602718 349006271 /nfs/dbraw/zinc/00/62/71/349006271.db2.gz BAPLGDQHSKMRMN-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO CCOc1cncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000598646409 349010457 /nfs/dbraw/zinc/01/04/57/349010457.db2.gz UDJYRXNTNYNZPM-WCQYABFASA-N 1 0 245.326 2.262 20 30 BEEDRO CC(C)(C)[C@H](C[NH3+])NCc1ccccc1C#N ZINC000598679332 349021423 /nfs/dbraw/zinc/02/14/23/349021423.db2.gz GRVHJZIPZQATNF-ZDUSSCGKSA-N 1 0 231.343 2.021 20 30 BEEDRO CC1(C)C[NH2+]CC[C@H]1NCc1ccccc1C#N ZINC000598679908 349021726 /nfs/dbraw/zinc/02/17/26/349021726.db2.gz QHIUIDXEUNUQGN-CQSZACIVSA-N 1 0 243.354 2.036 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CC=CCC1 ZINC000598720664 349027582 /nfs/dbraw/zinc/02/75/82/349027582.db2.gz PFHWBFCTDZNGEU-OLZOCXBDSA-N 1 0 236.359 2.233 20 30 BEEDRO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721833 349028244 /nfs/dbraw/zinc/02/82/44/349028244.db2.gz WXZPFLIDGAEWBG-RYUDHWBXSA-N 1 0 226.364 2.169 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC000598723854 349028748 /nfs/dbraw/zinc/02/87/48/349028748.db2.gz LEOVPPUMRSKPRG-GFCCVEGCSA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CCC1 ZINC000598724938 349029109 /nfs/dbraw/zinc/02/91/09/349029109.db2.gz MJJDGJQOIFODTP-ZYHUDNBSSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727362 349029620 /nfs/dbraw/zinc/02/96/20/349029620.db2.gz HFAJPCVSKLRPPJ-FRRDWIJNSA-N 1 0 238.375 2.311 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727629 349029659 /nfs/dbraw/zinc/02/96/59/349029659.db2.gz YLHDPAARQCWNEM-NEPJUHHUSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCC(C)(F)F ZINC000598728471 349030631 /nfs/dbraw/zinc/03/06/31/349030631.db2.gz SCUYFVWXHHVTFU-SNVBAGLBSA-N 1 0 248.317 2.312 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC1(F)CCC1 ZINC000598728284 349030637 /nfs/dbraw/zinc/03/06/37/349030637.db2.gz PWWJMGFVPQKMMM-LLVKDONJSA-N 1 0 242.338 2.159 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccnc(C)c1 ZINC000598964886 349068804 /nfs/dbraw/zinc/06/88/04/349068804.db2.gz ZXCCLYMPJQBACT-UHFFFAOYSA-N 1 0 222.357 2.399 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CO1 ZINC000401992928 349074604 /nfs/dbraw/zinc/07/46/04/349074604.db2.gz LNLFYHKBSKTDRA-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000599008846 349075376 /nfs/dbraw/zinc/07/53/76/349075376.db2.gz JBZJRSODWGAYGG-YPMHNXCESA-N 1 0 248.351 2.277 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCCO1 ZINC000599048849 349083127 /nfs/dbraw/zinc/08/31/27/349083127.db2.gz LEBFWJRYBRAFMU-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000599092752 349092337 /nfs/dbraw/zinc/09/23/37/349092337.db2.gz MIAKRFZGQCLMQR-BPNCWPANSA-N 1 0 230.311 2.386 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000599083219 349096539 /nfs/dbraw/zinc/09/65/39/349096539.db2.gz VPMOBTLEOGXXLA-OUJBWJOFSA-N 1 0 248.301 2.119 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccc(C)c(C#N)c1 ZINC000599283916 349135037 /nfs/dbraw/zinc/13/50/37/349135037.db2.gz HEZLHDFMOAYSBB-UHFFFAOYSA-N 1 0 246.354 2.461 20 30 BEEDRO Cc1ccc(C[N@@H+](C)C2CC2)cc1C#N ZINC000599266695 349135432 /nfs/dbraw/zinc/13/54/32/349135432.db2.gz PZKPOJFEUPSVHC-UHFFFAOYSA-N 1 0 200.285 2.461 20 30 BEEDRO CC[C@H]1CN(Cc2ccc(C)c(C#N)c2)CCO1 ZINC000599268432 349136549 /nfs/dbraw/zinc/13/65/49/349136549.db2.gz YUTGRLUVGCYOHU-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@H]1O ZINC000599339285 349151912 /nfs/dbraw/zinc/15/19/12/349151912.db2.gz MKPGQIFFRXZWLL-DZGCQCFKSA-N 1 0 244.338 2.069 20 30 BEEDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599461810 349190633 /nfs/dbraw/zinc/19/06/33/349190633.db2.gz KUXUYPWMBRVRPD-RYUDHWBXSA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1ccc(CN(C)Cc2cn[nH]c2)cc1C#N ZINC000599329795 349156546 /nfs/dbraw/zinc/15/65/46/349156546.db2.gz CQBUEJXKZDJGJG-UHFFFAOYSA-N 1 0 240.310 2.222 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599359177 349159240 /nfs/dbraw/zinc/15/92/40/349159240.db2.gz POHZHDFQUHEDGF-AGIUHOORSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599359180 349159374 /nfs/dbraw/zinc/15/93/74/349159374.db2.gz POHZHDFQUHEDGF-UPJWGTAASA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599357485 349159403 /nfs/dbraw/zinc/15/94/03/349159403.db2.gz WCYLQCRAYFHBGF-SDDRHHMPSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599357487 349159436 /nfs/dbraw/zinc/15/94/36/349159436.db2.gz WCYLQCRAYFHBGF-TUAOUCFPSA-N 1 0 224.348 2.065 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1C#N ZINC000599360698 349160183 /nfs/dbraw/zinc/16/01/83/349160183.db2.gz ASEGDHRJTYVOPH-JSGCOSHPSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1C#N ZINC000599365310 349160630 /nfs/dbraw/zinc/16/06/30/349160630.db2.gz YPSZUXIPTPTEGO-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1ccc(CN2CCOC[C@H]2C)cc1C#N ZINC000599385548 349160983 /nfs/dbraw/zinc/16/09/83/349160983.db2.gz JDNNICMQLKGKDY-GFCCVEGCSA-N 1 0 230.311 2.087 20 30 BEEDRO Cc1ccc(C[N@H+](C)CCCCO)cc1C#N ZINC000599385934 349161437 /nfs/dbraw/zinc/16/14/37/349161437.db2.gz JOUHWVYNHVBWQO-UHFFFAOYSA-N 1 0 232.327 2.071 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)cc1C#N ZINC000599382450 349163878 /nfs/dbraw/zinc/16/38/78/349163878.db2.gz QYGXTWMVVIRSJA-SWLSCSKDSA-N 1 0 244.338 2.069 20 30 BEEDRO COC1([C@H](C)[NH2+]CCCC#N)CCCC1 ZINC000421843682 192393655 /nfs/dbraw/zinc/39/36/55/192393655.db2.gz RFIXBVNILMZKBN-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1C#N ZINC000599434473 349174448 /nfs/dbraw/zinc/17/44/48/349174448.db2.gz BHCPPHZYEWFTOS-ABAIWWIYSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCCCC(=O)OC)C1 ZINC000599528442 349208364 /nfs/dbraw/zinc/20/83/64/349208364.db2.gz DNZGRTXTKAUOSG-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000599530445 349209588 /nfs/dbraw/zinc/20/95/88/349209588.db2.gz XKBZSWSLMQCSAY-QWHCGFSZSA-N 1 0 236.359 2.185 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3ccc(O)cc3C2)C1 ZINC000599537055 349212901 /nfs/dbraw/zinc/21/29/01/349212901.db2.gz XVOFRGQIHHMZFD-MFKMUULPSA-N 1 0 228.295 2.400 20 30 BEEDRO CC1(C)CCC[C@](CO)([NH2+]CCCC#N)C1 ZINC000599595837 349222987 /nfs/dbraw/zinc/22/29/87/349222987.db2.gz QLRZMZPWFJIQLB-ZDUSSCGKSA-N 1 0 224.348 2.211 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)CC1(C)COC1 ZINC000599571318 349223554 /nfs/dbraw/zinc/22/35/54/349223554.db2.gz BVENIVKJTJWBED-UHFFFAOYSA-N 1 0 248.301 2.166 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)CC1(C)COC1 ZINC000599571991 349224313 /nfs/dbraw/zinc/22/43/13/349224313.db2.gz ZRPGOMRLVCOAJL-UHFFFAOYSA-N 1 0 248.301 2.166 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000307195233 349233112 /nfs/dbraw/zinc/23/31/12/349233112.db2.gz QXJLSLLPSFAALC-OUAUKWLOSA-N 1 0 210.346 2.164 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000599640400 349238423 /nfs/dbraw/zinc/23/84/23/349238423.db2.gz CWUXOWXIZNTPAI-GFCCVEGCSA-N 1 0 242.338 2.377 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](CCF)C1 ZINC000599640405 349238505 /nfs/dbraw/zinc/23/85/05/349238505.db2.gz CWUXOWXIZNTPAI-LBPRGKRZSA-N 1 0 242.338 2.377 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000599526747 349207442 /nfs/dbraw/zinc/20/74/42/349207442.db2.gz RFIPYAIKAQOPDO-LBPRGKRZSA-N 1 0 227.311 2.351 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccoc2C(=O)OC)C1 ZINC000599525927 349207766 /nfs/dbraw/zinc/20/77/66/349207766.db2.gz BULHYYHJASPONN-LLVKDONJSA-N 1 0 249.310 2.464 20 30 BEEDRO CO[C@@H](C)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599676371 349242053 /nfs/dbraw/zinc/24/20/53/349242053.db2.gz BUCVEINQRUPKQG-LBPRGKRZSA-N 1 0 244.338 2.146 20 30 BEEDRO C=CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686674 349244564 /nfs/dbraw/zinc/24/45/64/349244564.db2.gz VBBKPVYREXNJIA-UHFFFAOYSA-N 1 0 212.296 2.297 20 30 BEEDRO C=C(C)C[NH+]1[C@H](C)CC(C(=O)OC)C[C@H]1C ZINC000599705829 349249593 /nfs/dbraw/zinc/24/95/93/349249593.db2.gz IJAJFNGRMXSJDW-GHMZBOCLSA-N 1 0 225.332 2.225 20 30 BEEDRO CC(C)[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000292853275 538038634 /nfs/dbraw/zinc/03/86/34/538038634.db2.gz GGMPXYJGZJGOSK-CQSZACIVSA-N 1 0 244.338 2.154 20 30 BEEDRO C[NH+](C)CCSc1cccc(F)c1C#N ZINC000095020323 490251665 /nfs/dbraw/zinc/25/16/65/490251665.db2.gz ZIKJGFXLLOPADS-UHFFFAOYSA-N 1 0 224.304 2.351 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000185575436 349356082 /nfs/dbraw/zinc/35/60/82/349356082.db2.gz KAHNXSRTYQHNRR-OCCSQVGLSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCCC[NH2+][C@@H](CCO)c1ccco1 ZINC000185082462 349325603 /nfs/dbraw/zinc/32/56/03/349325603.db2.gz LHMSFPBVEHSBEQ-NSHDSACASA-N 1 0 209.289 2.259 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H]1OCC)C1CC1 ZINC000309046092 349402275 /nfs/dbraw/zinc/40/22/75/349402275.db2.gz ORTRYHPSNZPMNF-RWMBFGLXSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@H](O)CSC ZINC000601968077 349405258 /nfs/dbraw/zinc/40/52/58/349405258.db2.gz LRHYUIQBGADMNE-NSHDSACASA-N 1 0 231.405 2.292 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000185754965 349367152 /nfs/dbraw/zinc/36/71/52/349367152.db2.gz OPKIHXVDBQBLTQ-YPMHNXCESA-N 1 0 215.300 2.254 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2CCO[C@@H](C(F)F)CC2)C1 ZINC000601976001 349412605 /nfs/dbraw/zinc/41/26/05/349412605.db2.gz OXNUBRKRYQYJCB-GMTAPVOTSA-N 1 0 244.285 2.035 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1nc(C)cs1 ZINC000131378305 191012680 /nfs/dbraw/zinc/01/26/80/191012680.db2.gz YBZCYGDDPSZFFX-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccsc1 ZINC000131381691 191013418 /nfs/dbraw/zinc/01/34/18/191013418.db2.gz JOINDCSWPRONED-UHFFFAOYSA-N 1 0 211.330 2.430 20 30 BEEDRO Cc1nccc([C@@H]2CCC[N@H+](CCCC#N)C2)n1 ZINC000603834000 350042510 /nfs/dbraw/zinc/04/25/10/350042510.db2.gz COKDQCGJJVXRFN-CYBMUJFWSA-N 1 0 244.342 2.268 20 30 BEEDRO Cc1nc(N[C@@H](C)CC[NH+](C)C)ccc1C#N ZINC000291740123 180023116 /nfs/dbraw/zinc/02/31/16/180023116.db2.gz YMRZZFADKPXJAK-JTQLQIEISA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000402259440 350096953 /nfs/dbraw/zinc/09/69/53/350096953.db2.gz BNMCBUCRIVECGH-SMDDNHRTSA-N 1 0 230.311 2.020 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C#N)c(C)n1 ZINC000291740222 350130274 /nfs/dbraw/zinc/13/02/74/350130274.db2.gz YOBISOVLYUZUHQ-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCCN1C[C@@H](C[NH3+])Cc2ccccc21 ZINC000392884642 350153103 /nfs/dbraw/zinc/15/31/03/350153103.db2.gz KNUQTXFQUNOWDE-GFCCVEGCSA-N 1 0 216.328 2.200 20 30 BEEDRO CC1(C2CC2)CC[NH+](CCOCCC#N)CC1 ZINC000339200998 535109114 /nfs/dbraw/zinc/10/91/14/535109114.db2.gz HPKQIRFIJNSJSO-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NCC#N ZINC000336782404 490371018 /nfs/dbraw/zinc/37/10/18/490371018.db2.gz XNARFIDRJHLWQQ-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000117881268 350229452 /nfs/dbraw/zinc/22/94/52/350229452.db2.gz ULWBPLYBTMTZCM-UWVGGRQHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CC[N@H+](CCC[C@@H](C)O)CCc1ccco1 ZINC000355298040 350239657 /nfs/dbraw/zinc/23/96/57/350239657.db2.gz WDHGBZNAAQMGGN-CYBMUJFWSA-N 1 0 237.343 2.471 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426488045 191085034 /nfs/dbraw/zinc/08/50/34/191085034.db2.gz VYWNGWZFNGPYDK-AGIUHOORSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCCCCCN1CC(F)(F)C[C@@H]1CO ZINC000365355509 350249652 /nfs/dbraw/zinc/24/96/52/350249652.db2.gz BFILNLLZYNUSLO-LLVKDONJSA-N 1 0 233.302 2.435 20 30 BEEDRO CC(C)(C#N)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161196595 323316790 /nfs/dbraw/zinc/31/67/90/323316790.db2.gz KMNMVKIVCRLNHN-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000354062428 350278135 /nfs/dbraw/zinc/27/81/35/350278135.db2.gz AAVSZONHUSSOMS-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCN(C(C)=O)C1 ZINC000355418250 350298334 /nfs/dbraw/zinc/29/83/34/350298334.db2.gz KXLKWNSDVNIRST-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000050508453 350349778 /nfs/dbraw/zinc/34/97/78/350349778.db2.gz BYMQJQFVIDGWIP-SNVBAGLBSA-N 1 0 218.256 2.221 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427868898 191097315 /nfs/dbraw/zinc/09/73/15/191097315.db2.gz BKEOWDZDWZKMLZ-YNEHKIRRSA-N 1 0 233.359 2.388 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC12CC2 ZINC000514616215 323326281 /nfs/dbraw/zinc/32/62/81/323326281.db2.gz MSMSBQANQRWMJC-NWDGAFQWSA-N 1 0 209.333 2.093 20 30 BEEDRO CC#CC[N@H+](C)[C@@H](C)c1cccc(O)c1 ZINC000157975302 191099128 /nfs/dbraw/zinc/09/91/28/191099128.db2.gz ZCBBXDQCIHZQDC-NSHDSACASA-N 1 0 203.285 2.408 20 30 BEEDRO Cc1nn(C)c(Cl)c1C[NH2+]CCCCC#N ZINC000163863162 180352299 /nfs/dbraw/zinc/35/22/99/180352299.db2.gz BWWSTTDKVXOVHS-UHFFFAOYSA-N 1 0 240.738 2.165 20 30 BEEDRO COC1CCC([N@H+](C)CCCC#N)CC1 ZINC000336646627 350415829 /nfs/dbraw/zinc/41/58/29/350415829.db2.gz KVZLFXHYVVRROD-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000336649242 350417976 /nfs/dbraw/zinc/41/79/76/350417976.db2.gz QQEPHNNDDHHCGW-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@H](O)CCC[N@H+](CCC#N)CC(C)(C)C ZINC000336651294 350419596 /nfs/dbraw/zinc/41/95/96/350419596.db2.gz FATOWODHJDAFPH-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C[N@H+](CCCSCC#N)C[C@H]1CCCCO1 ZINC000336667620 350427842 /nfs/dbraw/zinc/42/78/42/350427842.db2.gz GSMSUJJWEDPNPY-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO COC[C@H]([NH2+][C@@H]1CCCC[C@H]1C#N)C1CC1 ZINC000397277282 350455972 /nfs/dbraw/zinc/45/59/72/350455972.db2.gz QLYBUMQXODGXOO-XQQFMLRXSA-N 1 0 222.332 2.083 20 30 BEEDRO Cc1nccn1CCCC[N@@H+](C)C[C@@H](C)C#N ZINC000336706577 350456014 /nfs/dbraw/zinc/45/60/14/350456014.db2.gz GHKUENAPIACMGX-LBPRGKRZSA-N 1 0 234.347 2.063 20 30 BEEDRO C[C@H](C#N)CN(CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000336701554 350458206 /nfs/dbraw/zinc/45/82/06/350458206.db2.gz LSLGNHPNOPRRBX-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC1CC[NH+](CCn2ccnc2C)CC1 ZINC000336708575 350461804 /nfs/dbraw/zinc/46/18/04/350461804.db2.gz VEGRNKAMCGERMR-UHFFFAOYSA-N 1 0 219.332 2.090 20 30 BEEDRO CCC[N@H+](CCC(C)(C)C#N)CC(C)(C)O ZINC000336687022 350443188 /nfs/dbraw/zinc/44/31/88/350443188.db2.gz XHZRORYWLGVZHT-UHFFFAOYSA-N 1 0 226.364 2.409 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+]CCCCC#N ZINC000167258288 180381645 /nfs/dbraw/zinc/38/16/45/180381645.db2.gz UKCBWANMFHCCRF-JTQLQIEISA-N 1 0 220.320 2.073 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623541881 362960987 /nfs/dbraw/zinc/96/09/87/362960987.db2.gz BRFPBGQLAYZCTO-GHYVTOPFSA-N 1 0 223.360 2.338 20 30 BEEDRO CCSCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336644230 350548578 /nfs/dbraw/zinc/54/85/78/350548578.db2.gz AGAXDTUSHJQCLV-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO C[N@H+](CCCC1(C#N)CCOCC1)C1CC1 ZINC000337126748 350558507 /nfs/dbraw/zinc/55/85/07/350558507.db2.gz GDHYVEHLSDYNKY-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000606896066 350621291 /nfs/dbraw/zinc/62/12/91/350621291.db2.gz RFDUZWRBEWUSIL-LLVKDONJSA-N 1 0 205.305 2.165 20 30 BEEDRO C=CCCN1CCOC[C@H]1c1ccco1 ZINC000606898090 350623722 /nfs/dbraw/zinc/62/37/22/350623722.db2.gz HHPRADMCBDQBOI-NSHDSACASA-N 1 0 207.273 2.229 20 30 BEEDRO CC1(C)C[N@H+](CC2(CC#N)CC2)CCCO1 ZINC000309530258 350702700 /nfs/dbraw/zinc/70/27/00/350702700.db2.gz DFHDXRPMQCDUGV-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(CC)C[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000097209105 350692545 /nfs/dbraw/zinc/69/25/45/350692545.db2.gz KYIQWDFFGSMROO-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000124490793 350697791 /nfs/dbraw/zinc/69/77/91/350697791.db2.gz JMEAZLWYPNMJNO-UHFFFAOYSA-N 1 0 223.703 2.464 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](CC)CCC ZINC000270687207 166330456 /nfs/dbraw/zinc/33/04/56/166330456.db2.gz DPNZUTAGUFMFQE-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CCO)c2ccco2)C1 ZINC000249043482 350868027 /nfs/dbraw/zinc/86/80/27/350868027.db2.gz VLIBEUFMIIKGBJ-AGIUHOORSA-N 1 0 248.326 2.375 20 30 BEEDRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](CC#N)C2)O1 ZINC000397571591 350920746 /nfs/dbraw/zinc/92/07/46/350920746.db2.gz BZVWLLJHHLHPTQ-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C[NH2+]CCSCc1ccc(F)cc1C#N ZINC000382660926 350941626 /nfs/dbraw/zinc/94/16/26/350941626.db2.gz QOSZXRGNBFRNLX-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCC(C)C ZINC000052245793 350971607 /nfs/dbraw/zinc/97/16/07/350971607.db2.gz IHHWUVYXQNGKOH-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000129149374 350998546 /nfs/dbraw/zinc/99/85/46/350998546.db2.gz VKLGJZDXTOCZCP-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1noc(C)c1[C@H](C)[NH2+]CCCC#N ZINC000086110521 350945942 /nfs/dbraw/zinc/94/59/42/350945942.db2.gz ZGJZAMQBWHICCN-QMMMGPOBSA-N 1 0 207.277 2.246 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccncc1Cl ZINC000623569693 362998487 /nfs/dbraw/zinc/99/84/87/362998487.db2.gz SWTJWSLYXYBLFW-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2(F)CC2)c1 ZINC000389891687 351044501 /nfs/dbraw/zinc/04/45/01/351044501.db2.gz ADCGERIVZARNJW-UHFFFAOYSA-N 1 0 204.248 2.150 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CCCC[NH+](C)C ZINC000628316147 351046528 /nfs/dbraw/zinc/04/65/28/351046528.db2.gz KKAUDANMYYMYFC-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)CO ZINC000120626681 351056025 /nfs/dbraw/zinc/05/60/25/351056025.db2.gz ODAVAKVQMIIGAZ-ZDUSSCGKSA-N 1 0 246.354 2.399 20 30 BEEDRO N#CCC1(C[NH+]2C[C@@H]3CCC[C@H]3C2)CC1 ZINC000159832215 351010446 /nfs/dbraw/zinc/01/04/46/351010446.db2.gz WGWMSSSDEJYBQP-RYUDHWBXSA-N 1 0 204.317 2.412 20 30 BEEDRO N#CCC1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CC1 ZINC000159832067 351010482 /nfs/dbraw/zinc/01/04/82/351010482.db2.gz WGWMSSSDEJYBQP-TXEJJXNPSA-N 1 0 204.317 2.412 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000289940944 351012347 /nfs/dbraw/zinc/01/23/47/351012347.db2.gz UHSPQKGICPGJBU-VIFPVBQESA-N 1 0 229.682 2.116 20 30 BEEDRO C=CC1CC[NH+](CCCC(=O)OCC)CC1 ZINC000111256327 191130229 /nfs/dbraw/zinc/13/02/29/191130229.db2.gz OYYOGDGEUZBFFC-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000111257189 191130389 /nfs/dbraw/zinc/13/03/89/191130389.db2.gz XXVZGUASICJHNV-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000336704469 351069517 /nfs/dbraw/zinc/06/95/17/351069517.db2.gz QTIVDOOMWUGWGH-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000289964278 351078916 /nfs/dbraw/zinc/07/89/16/351078916.db2.gz XBVPYRIMGCCHFF-GYSYKLTISA-N 1 0 217.312 2.371 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(OCC)cc1 ZINC000264116661 351219924 /nfs/dbraw/zinc/21/99/24/351219924.db2.gz PWVWNVHTFLZPNQ-UHFFFAOYSA-N 1 0 247.342 2.066 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631629867 351293324 /nfs/dbraw/zinc/29/33/24/351293324.db2.gz BMVREESQJDQUOD-AVGNSLFASA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(C)no1 ZINC000631126001 351336528 /nfs/dbraw/zinc/33/65/28/351336528.db2.gz KIBDHYLKDZBMAV-WCQYABFASA-N 1 0 236.315 2.054 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1nccnc1OC ZINC000623592889 363028090 /nfs/dbraw/zinc/02/80/90/363028090.db2.gz HHOPPDPJSDFCIU-UHFFFAOYSA-N 1 0 235.331 2.177 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(C)nc1 ZINC000623592666 363028754 /nfs/dbraw/zinc/02/87/54/363028754.db2.gz WUAUZFFFRBMOFW-UHFFFAOYSA-N 1 0 219.332 2.477 20 30 BEEDRO CC[C@H](CO)NC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000271838318 351440165 /nfs/dbraw/zinc/44/01/65/351440165.db2.gz SMAOIFLDZKEROT-GFCCVEGCSA-N 1 0 249.358 2.308 20 30 BEEDRO CC[C@H](CC#N)NCC[N@H+](C)Cc1ccccc1 ZINC000386698514 363029852 /nfs/dbraw/zinc/02/98/52/363029852.db2.gz MHIHYSNWMJCSRI-OAHLLOKOSA-N 1 0 245.370 2.400 20 30 BEEDRO COc1c(O)cccc1C[NH2+]CCCCC#N ZINC000272403466 351473309 /nfs/dbraw/zinc/47/33/09/351473309.db2.gz KDIBYWMURFMDCD-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO CCC(N)=[NH+]OCCCOCc1ccccc1 ZINC000273579828 351535751 /nfs/dbraw/zinc/53/57/51/351535751.db2.gz ODAHHXOINXRXFE-UHFFFAOYSA-N 1 0 236.315 2.292 20 30 BEEDRO CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000274645156 351575511 /nfs/dbraw/zinc/57/55/11/351575511.db2.gz RVWJEMSMSXPMRL-DMDPSCGWSA-N 1 0 232.331 2.246 20 30 BEEDRO N#CC1(C[NH2+]CCC2CCOCC2)CCCC1 ZINC000405073915 351600839 /nfs/dbraw/zinc/60/08/39/351600839.db2.gz HHMXPZGEEOWKAL-UHFFFAOYSA-N 1 0 236.359 2.477 20 30 BEEDRO C#CC[N@@H+](C)C1CCN(c2cccc(F)c2)CC1 ZINC000072826615 351608411 /nfs/dbraw/zinc/60/84/11/351608411.db2.gz SVWCNPZDSUTBOV-UHFFFAOYSA-N 1 0 246.329 2.360 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccc(C2CCC2)cc1 ZINC000276929650 351662715 /nfs/dbraw/zinc/66/27/15/351662715.db2.gz QMUHAWOZOFKFJV-UHFFFAOYSA-N 1 0 231.343 2.330 20 30 BEEDRO C=CCN(CC=C)Cc1cc2c(cn1)OCCO2 ZINC000637833187 351683232 /nfs/dbraw/zinc/68/32/32/351683232.db2.gz PTVIIEUPWGYMFW-UHFFFAOYSA-N 1 0 246.310 2.027 20 30 BEEDRO C=CCCCN1Cc2ccccc2NC(=O)C1 ZINC000577743141 366049325 /nfs/dbraw/zinc/04/93/25/366049325.db2.gz OGMHAHXWRLKGOE-UHFFFAOYSA-N 1 0 230.311 2.407 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000577766879 366057433 /nfs/dbraw/zinc/05/74/33/366057433.db2.gz MECSNNQNTOGKTF-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1cnn(C)c1 ZINC000278822563 351785888 /nfs/dbraw/zinc/78/58/88/351785888.db2.gz SOBUKUKOANRQFR-GVXVVHGQSA-N 1 0 232.331 2.153 20 30 BEEDRO C[N@H+](Cc1ccco1)[C@H]1CC[C@@H](C#N)C1 ZINC000278539681 351768728 /nfs/dbraw/zinc/76/87/28/351768728.db2.gz GCNZOEGVAHUMLN-MNOVXSKESA-N 1 0 204.273 2.404 20 30 BEEDRO C[N@H+](CCc1ccncc1)[C@H]1CC[C@@H](C#N)C1 ZINC000278555019 351769314 /nfs/dbraw/zinc/76/93/14/351769314.db2.gz HUGXVRMVIOTCQQ-KGLIPLIRSA-N 1 0 229.327 2.248 20 30 BEEDRO C[N@H+](CCc1nccs1)[C@H]1CC[C@H](C#N)C1 ZINC000278598122 351772368 /nfs/dbraw/zinc/77/23/68/351772368.db2.gz LQCNJCQYYDEACF-QWRGUYRKSA-N 1 0 235.356 2.310 20 30 BEEDRO C[N@H+](CCc1nccs1)[C@@H]1CC[C@H](C#N)C1 ZINC000278598126 351772407 /nfs/dbraw/zinc/77/24/07/351772407.db2.gz LQCNJCQYYDEACF-WDEREUQCSA-N 1 0 235.356 2.310 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405130171 351858291 /nfs/dbraw/zinc/85/82/91/351858291.db2.gz MVYACTRNCDBHIX-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC1CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000637992750 351869772 /nfs/dbraw/zinc/86/97/72/351869772.db2.gz HWPZEECZEIUWCX-UHFFFAOYSA-N 1 0 248.326 2.085 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CNc2cccc(F)c2C#N)C1 ZINC000054240725 187533818 /nfs/dbraw/zinc/53/38/18/187533818.db2.gz DPSKFFORYDJJEF-NSHDSACASA-N 1 0 247.317 2.451 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336734594 351889504 /nfs/dbraw/zinc/88/95/04/351889504.db2.gz KWJOKWFASSZGIC-UMSGYPCISA-N 1 0 222.332 2.083 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000281752286 351908504 /nfs/dbraw/zinc/90/85/04/351908504.db2.gz RAVUBCZDXXUVOL-UHFFFAOYSA-N 1 0 248.326 2.191 20 30 BEEDRO Cc1n[nH]cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000281767998 351909361 /nfs/dbraw/zinc/90/93/61/351909361.db2.gz SEIRCRRIJPBHCW-UHFFFAOYSA-N 1 0 232.331 2.138 20 30 BEEDRO CC[C@@H](CNC1=[NH+]CCN1C)c1ccccc1 ZINC000284904514 352009793 /nfs/dbraw/zinc/00/97/93/352009793.db2.gz AQRPHCIDDKVSSL-LBPRGKRZSA-N 1 0 231.343 2.071 20 30 BEEDRO Cc1ccc2nc(C[NH2+]CCCCC#N)cn2c1 ZINC000283843732 351984761 /nfs/dbraw/zinc/98/47/61/351984761.db2.gz HLGIJCXNZCOXFE-UHFFFAOYSA-N 1 0 242.326 2.426 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnnn1C ZINC000336738318 351985118 /nfs/dbraw/zinc/98/51/18/351985118.db2.gz OAWIWKVWVIOTEX-NSHDSACASA-N 1 0 222.336 2.040 20 30 BEEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)C1CC(O)C1 ZINC000353482014 352021595 /nfs/dbraw/zinc/02/15/95/352021595.db2.gz DZFYQXJBJOACLR-UHFFFAOYSA-N 1 0 249.741 2.147 20 30 BEEDRO C[NH+]1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000037071269 358467982 /nfs/dbraw/zinc/46/79/82/358467982.db2.gz HDOHPMGOIAETMI-UHFFFAOYSA-N 1 0 229.327 2.259 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1F ZINC000336738527 352110133 /nfs/dbraw/zinc/11/01/33/352110133.db2.gz RHSXEKMQEVTRMQ-JTQLQIEISA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)cc1F ZINC000336738528 352110149 /nfs/dbraw/zinc/11/01/49/352110149.db2.gz RHSXEKMQEVTRMQ-SNVBAGLBSA-N 1 0 229.682 2.116 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000618887625 352160968 /nfs/dbraw/zinc/16/09/68/352160968.db2.gz HIHXYLFZMCIHNY-RQJABVFESA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCSCC1 ZINC000618887654 352161603 /nfs/dbraw/zinc/16/16/03/352161603.db2.gz HTONWQNDOMWNRC-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000618888033 352164462 /nfs/dbraw/zinc/16/44/62/352164462.db2.gz MKPAQAJFXLPMKF-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000289795131 352197765 /nfs/dbraw/zinc/19/77/65/352197765.db2.gz NLNMJJXSHDAPIS-SHARSMKWSA-N 1 0 231.339 2.378 20 30 BEEDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](C)CCC#N ZINC000618888365 352166721 /nfs/dbraw/zinc/16/67/21/352166721.db2.gz QXZILFDOYJBVDL-ZNMIVQPWSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000340298530 352167444 /nfs/dbraw/zinc/16/74/44/352167444.db2.gz YUXIHCFCEOVALC-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000340306419 352176211 /nfs/dbraw/zinc/17/62/11/352176211.db2.gz FWNFRKKBLWZOFP-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)c(O)c1)C(C)C ZINC000289331190 352181097 /nfs/dbraw/zinc/18/10/97/352181097.db2.gz GVOGHMQWHBPPPR-GFCCVEGCSA-N 1 0 233.311 2.148 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccncc1F ZINC000340318713 352188048 /nfs/dbraw/zinc/18/80/48/352188048.db2.gz WYGXNPDMTPQJHZ-QWRGUYRKSA-N 1 0 238.306 2.056 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000289677569 352194511 /nfs/dbraw/zinc/19/45/11/352194511.db2.gz ZNBPIXJPIOJMER-ZDUSSCGKSA-N 1 0 241.338 2.148 20 30 BEEDRO C=CCCC1(CNC(=O)C[C@H](C)[NH3+])CCCC1 ZINC000638404709 352211552 /nfs/dbraw/zinc/21/15/52/352211552.db2.gz KRNXOWOFLNTOCW-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCCC#N ZINC000613388435 363153899 /nfs/dbraw/zinc/15/38/99/363153899.db2.gz ACRBLVYDJFUWGQ-OCCSQVGLSA-N 1 0 232.327 2.044 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CC1CC[NH2+]CC1 ZINC000638453905 352266539 /nfs/dbraw/zinc/26/65/39/352266539.db2.gz BUOQQFMILCPNJD-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1ccoc1CNC(=[NH2+])NCCC(C)C ZINC000291797514 352289678 /nfs/dbraw/zinc/28/96/78/352289678.db2.gz AKFZOUOSQXXMJS-UHFFFAOYSA-N 1 0 223.320 2.038 20 30 BEEDRO C=CC[N@@H+](CCCc1ccncc1)CCOC ZINC000362046672 166342086 /nfs/dbraw/zinc/34/20/86/166342086.db2.gz IHWFSEAGJHDRIL-UHFFFAOYSA-N 1 0 234.343 2.149 20 30 BEEDRO CNC(=[NH2+])NCC(C)(C)c1ccc(C)cc1C ZINC000291838560 352291699 /nfs/dbraw/zinc/29/16/99/352291699.db2.gz DRWKXTOMWYKEFJ-UHFFFAOYSA-N 1 0 233.359 2.115 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](n2cccn2)C1 ZINC000411227923 191170583 /nfs/dbraw/zinc/17/05/83/191170583.db2.gz PWEKPOARBFMEET-QWHCGFSZSA-N 1 0 232.331 2.212 20 30 BEEDRO CN(C)C(=[NH2+])NC[C@H](c1ccccc1)C1CC1 ZINC000292246541 352310035 /nfs/dbraw/zinc/31/00/35/352310035.db2.gz CYPXXPVOBGLHGN-CYBMUJFWSA-N 1 0 231.343 2.057 20 30 BEEDRO C[C@@H]1CN(c2cccc(F)c2)CCN1CCC#N ZINC000292310167 352314044 /nfs/dbraw/zinc/31/40/44/352314044.db2.gz NGMYCEGAXSIYPY-GFCCVEGCSA-N 1 0 247.317 2.250 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000411379789 191181720 /nfs/dbraw/zinc/18/17/20/191181720.db2.gz CCAHYWWGESPAKC-NSHDSACASA-N 1 0 230.311 2.443 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)CCC#N)C[C@H](C)O1 ZINC000411257219 191172066 /nfs/dbraw/zinc/17/20/66/191172066.db2.gz KDBCKGPTHGSVDR-SDDRHHMPSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000411276087 191174122 /nfs/dbraw/zinc/17/41/22/191174122.db2.gz LPWXCVIPUSGJKJ-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000411276090 191174267 /nfs/dbraw/zinc/17/42/67/191174267.db2.gz LPWXCVIPUSGJKJ-UONOGXRCSA-N 1 0 235.375 2.239 20 30 BEEDRO CCOC[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411299241 191175333 /nfs/dbraw/zinc/17/53/33/191175333.db2.gz AEMVMKUSEPHBKB-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC2(C1)CCOCC2 ZINC000411291368 191175838 /nfs/dbraw/zinc/17/58/38/191175838.db2.gz CHFGCGXIHSARFS-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000411315655 191177414 /nfs/dbraw/zinc/17/74/14/191177414.db2.gz UTEHAJGNZWKEJF-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C#N)cn1 ZINC000044572332 352363472 /nfs/dbraw/zinc/36/34/72/352363472.db2.gz TURRILOWXBCPJM-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000336742180 352394949 /nfs/dbraw/zinc/39/49/49/352394949.db2.gz NWINTHVJXAZBKP-VIFPVBQESA-N 1 0 241.360 2.090 20 30 BEEDRO CCC(CC)(C[NH2+][C@H](C)CCC#N)C(=O)OC ZINC000411400436 191182915 /nfs/dbraw/zinc/18/29/15/191182915.db2.gz JRZPYEHUHBLYQN-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO CC1=C[C@H](C)C[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000619532296 352397382 /nfs/dbraw/zinc/39/73/82/352397382.db2.gz BBZKDELPQSLMEI-NSHDSACASA-N 1 0 227.311 2.351 20 30 BEEDRO CC1=C[C@@H](C)C[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000619532294 352397578 /nfs/dbraw/zinc/39/75/78/352397578.db2.gz BBZKDELPQSLMEI-LLVKDONJSA-N 1 0 227.311 2.351 20 30 BEEDRO C=CCN(C)CC[N@H+](CC)CCC1CC1 ZINC000411637963 191200804 /nfs/dbraw/zinc/20/08/04/191200804.db2.gz GOYSAXLASQWLDR-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCC[N@@H+](CCC)[C@H](C)C(=O)OCC ZINC000411648656 191202072 /nfs/dbraw/zinc/20/20/72/191202072.db2.gz OEEOSWUTYNTATL-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO CCC[N@H+](CCN1CCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000411721692 191206033 /nfs/dbraw/zinc/20/60/33/191206033.db2.gz SYCOMMACBMSXID-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO CCCCO[C@@H]1C[C@@H]([NH2+]CCC#N)C1(C)C ZINC000411720339 191206897 /nfs/dbraw/zinc/20/68/97/191206897.db2.gz MUBDTSHKHZDLIZ-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000411725483 191207976 /nfs/dbraw/zinc/20/79/76/191207976.db2.gz FYMRGBHZGRITKD-UWVGGRQHSA-N 1 0 232.274 2.240 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411540384 191192121 /nfs/dbraw/zinc/19/21/21/191192121.db2.gz GSNCTRMYZVNMMO-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](CO)c1ccsc1 ZINC000411537991 191193124 /nfs/dbraw/zinc/19/31/24/191193124.db2.gz AONMCXVKYNUNBW-ONGXEEELSA-N 1 0 224.329 2.063 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411565381 191194515 /nfs/dbraw/zinc/19/45/15/191194515.db2.gz FEGDGJSFMVVYQC-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)N(C)CC1([NH+](C)C)CCC1 ZINC000411605435 191195805 /nfs/dbraw/zinc/19/58/05/191195805.db2.gz HYGHKLWBLNPRRM-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H](O)C[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411745067 191208791 /nfs/dbraw/zinc/20/87/91/191208791.db2.gz NVRZZLKACAZDAS-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000411787058 191211778 /nfs/dbraw/zinc/21/17/78/191211778.db2.gz KIOZFTPPORZCGQ-XQQFMLRXSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)Cc1ccccn1 ZINC000411786879 191212185 /nfs/dbraw/zinc/21/21/85/191212185.db2.gz MCNVXVFVZCWSQS-NSHDSACASA-N 1 0 203.289 2.206 20 30 BEEDRO C[C@@H](CCCc1cccnc1)[NH2+]CCC#N ZINC000411829832 191214220 /nfs/dbraw/zinc/21/42/20/191214220.db2.gz YGIKDFIDIQGKOB-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO CCn1cc([C@H](C)[NH2+][C@@H](C)CCC#N)cn1 ZINC000411805573 191213708 /nfs/dbraw/zinc/21/37/08/191213708.db2.gz UIQQOWZLRSIHHP-QWRGUYRKSA-N 1 0 220.320 2.246 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000279542789 187752677 /nfs/dbraw/zinc/75/26/77/187752677.db2.gz QFZWAYQNCVWHCM-DGCLKSJQSA-N 1 0 248.370 2.384 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411854767 191219895 /nfs/dbraw/zinc/21/98/95/191219895.db2.gz UADNLCJCQQKKPJ-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411920632 191227512 /nfs/dbraw/zinc/22/75/12/191227512.db2.gz CKOWTQZEMUICBV-KBPBESRZSA-N 1 0 230.311 2.098 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000411923040 191228210 /nfs/dbraw/zinc/22/82/10/191228210.db2.gz KCMNNKLRDRIOET-GJZGRUSLSA-N 1 0 229.323 2.208 20 30 BEEDRO C=CCCC1(CNC(=O)C[NH+](C)C)CCCC1 ZINC000617416566 352630352 /nfs/dbraw/zinc/63/03/52/352630352.db2.gz WLWNZQUJRGRYTC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411956931 191232828 /nfs/dbraw/zinc/23/28/28/191232828.db2.gz RTIHIILXPLEHSV-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]CC1(C#N)CC1)C1CC1 ZINC000411974091 191233706 /nfs/dbraw/zinc/23/37/06/191233706.db2.gz SQYNSRZRIICXPS-PWSUYJOCSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411956927 191233941 /nfs/dbraw/zinc/23/39/41/191233941.db2.gz RTIHIILXPLEHSV-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO COC1([C@@H](C)[NH2+]CCC(C)(C)C#N)CCC1 ZINC000412017964 191236691 /nfs/dbraw/zinc/23/66/91/191236691.db2.gz ARHYHOUYEHCQIQ-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@H](C)CC(C)C ZINC000336745118 352701320 /nfs/dbraw/zinc/70/13/20/352701320.db2.gz AWERRFVAUDLRPY-OLZOCXBDSA-N 1 0 213.365 2.443 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336744937 352701799 /nfs/dbraw/zinc/70/17/99/352701799.db2.gz QIIBACLKHLCUJU-JTQLQIEISA-N 1 0 239.388 2.259 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412047148 191244286 /nfs/dbraw/zinc/24/42/86/191244286.db2.gz RYYUFCHOXPGBST-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO COC1([C@@H](C)[NH2+]CCCSCC#N)CCC1 ZINC000412030577 191242141 /nfs/dbraw/zinc/24/21/41/191242141.db2.gz ZYBSEVOZOYUNBB-LLVKDONJSA-N 1 0 242.388 2.180 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000341892834 352732045 /nfs/dbraw/zinc/73/20/45/352732045.db2.gz XDLHQCCYWIGXKG-CJNGLKHVSA-N 1 0 245.366 2.318 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000223240098 187831069 /nfs/dbraw/zinc/83/10/69/187831069.db2.gz QNBOQHLYLBHNJT-UHFFFAOYSA-N 1 0 232.327 2.197 20 30 BEEDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000412071977 191251357 /nfs/dbraw/zinc/25/13/57/191251357.db2.gz HCXFTIZPKXIGQV-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000342868510 352882558 /nfs/dbraw/zinc/88/25/58/352882558.db2.gz NPVJRAFOTQRTOV-JTQLQIEISA-N 1 0 236.281 2.131 20 30 BEEDRO N#CCCN1CCS[C@@H]2CCCC[C@@H]21 ZINC000334266671 352902392 /nfs/dbraw/zinc/90/23/92/352902392.db2.gz NVNFZNFOSWLLLZ-WDEREUQCSA-N 1 0 210.346 2.260 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000638811463 352990041 /nfs/dbraw/zinc/99/00/41/352990041.db2.gz AQYCRZOHRHJICG-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)CC(F)(F)F ZINC000336748230 352943508 /nfs/dbraw/zinc/94/35/08/352943508.db2.gz SNMJLRHSCONIMZ-IVZWLZJFSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638836231 353021925 /nfs/dbraw/zinc/02/19/25/353021925.db2.gz DFXHAOATFGULJO-MJBXVCDLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCNC(=O)C[NH2+]C1CCC(=C2CCC2)CC1 ZINC000638847599 353027889 /nfs/dbraw/zinc/02/78/89/353027889.db2.gz UGSZYKPKEOSASD-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=CC[C@H](CO)CNc1cc[nH+]c(C)c1Cl ZINC000336750274 353033031 /nfs/dbraw/zinc/03/30/31/353033031.db2.gz ZLDQBFOGGQLENH-JTQLQIEISA-N 1 0 240.734 2.062 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CCCOC1 ZINC000336750329 353035570 /nfs/dbraw/zinc/03/55/70/353035570.db2.gz UQDGGTVKOXXPOI-ZDEQEGDKSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816247 352997046 /nfs/dbraw/zinc/99/70/46/352997046.db2.gz MFFHVRCGSCROPS-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816246 352997358 /nfs/dbraw/zinc/99/73/58/352997358.db2.gz MFFHVRCGSCROPS-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO CO[C@@]1(C)C[C@@H]([NH2+]CCCC#N)C1(C)C ZINC000336751948 353067552 /nfs/dbraw/zinc/06/75/52/353067552.db2.gz FRWZWDDNGGWKMV-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336752138 353075773 /nfs/dbraw/zinc/07/57/73/353075773.db2.gz FVOPTLNUZTUZBG-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000638864897 353039123 /nfs/dbraw/zinc/03/91/23/353039123.db2.gz DFQKDOPUWJCTFT-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C(C)(C)C[NH3+] ZINC000638875044 353041598 /nfs/dbraw/zinc/04/15/98/353041598.db2.gz MRCMWKNLYHLGNH-UHFFFAOYSA-N 1 0 226.364 2.080 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CCCC[NH3+] ZINC000638875240 353041607 /nfs/dbraw/zinc/04/16/07/353041607.db2.gz PSFZYPACRVCCGT-UHFFFAOYSA-N 1 0 226.364 2.224 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])CC(F)F ZINC000638874081 353044293 /nfs/dbraw/zinc/04/42/93/353044293.db2.gz DTENFRJOFPWKPP-SECBINFHSA-N 1 0 248.317 2.078 20 30 BEEDRO CCOC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(C)C ZINC000336753562 353107518 /nfs/dbraw/zinc/10/75/18/353107518.db2.gz FAJBXYBHLNSEFV-XQQFMLRXSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(CC)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334407617 353089022 /nfs/dbraw/zinc/08/90/22/353089022.db2.gz HLSPTRXGGITZRZ-KGLIPLIRSA-N 1 0 222.376 2.369 20 30 BEEDRO COCCN(CCC#N)CCC1CCC1 ZINC000398653967 353125537 /nfs/dbraw/zinc/12/55/37/353125537.db2.gz BTIOFEWGIHVAGQ-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCCCC(=O)Nc1cnccc1OC ZINC000177786584 188079614 /nfs/dbraw/zinc/07/96/14/188079614.db2.gz LZSJSRJRWVWQDP-UHFFFAOYSA-N 1 0 220.272 2.385 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccc(OC)n1 ZINC000171859217 188080215 /nfs/dbraw/zinc/08/02/15/188080215.db2.gz YBMIIAHYAHZTFF-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638950764 353153711 /nfs/dbraw/zinc/15/37/11/353153711.db2.gz SCCXPZKOYQVMPB-JHJVBQTASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)CN1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000086253166 188082226 /nfs/dbraw/zinc/08/22/26/188082226.db2.gz MLFJMCPYONIKKQ-UHFFFAOYSA-N 1 0 233.359 2.145 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)cc1 ZINC000268931822 188089716 /nfs/dbraw/zinc/08/97/16/188089716.db2.gz ZRIWJJGJVYTEMJ-CHWSQXEVSA-N 1 0 247.338 2.120 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc2ccccc2[nH]c1=O ZINC000271167416 188090055 /nfs/dbraw/zinc/09/00/55/188090055.db2.gz ZPHACKLCMPWBTJ-UHFFFAOYSA-N 1 0 240.306 2.396 20 30 BEEDRO C#CC[C@H]([NH2+]CC(C)(C)O)c1ccccc1 ZINC000271726318 188090762 /nfs/dbraw/zinc/09/07/62/188090762.db2.gz RCEGKHQZWPFWLC-ZDUSSCGKSA-N 1 0 217.312 2.112 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CC1CCCC1 ZINC000336759752 353170927 /nfs/dbraw/zinc/17/09/27/353170927.db2.gz LOSDDIXCMMNVRN-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000271595962 188091055 /nfs/dbraw/zinc/09/10/55/188091055.db2.gz SHNTUDWNINUSCS-LBPRGKRZSA-N 1 0 217.316 2.187 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)Cn1cccn1 ZINC000336760706 353171961 /nfs/dbraw/zinc/17/19/61/353171961.db2.gz MLQHZCVDGGQMCB-LBPRGKRZSA-N 1 0 207.321 2.218 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274768642 188092818 /nfs/dbraw/zinc/09/28/18/188092818.db2.gz LYTWPMPCNRXPAO-ONGXEEELSA-N 1 0 240.734 2.323 20 30 BEEDRO C=C(Cl)CNCc1cccc2c1OCO2 ZINC000040667453 188137425 /nfs/dbraw/zinc/13/74/25/188137425.db2.gz WUPUBZACBIZQGI-UHFFFAOYSA-N 1 0 225.675 2.257 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000037681339 188151630 /nfs/dbraw/zinc/15/16/30/188151630.db2.gz RCICRIHOYOBFJD-BDAKNGLRSA-N 1 0 234.137 2.052 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2ccc(C#N)cn2)CC1 ZINC000301110699 188160549 /nfs/dbraw/zinc/16/05/49/188160549.db2.gz WKHUHXGZOVDDHC-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000180625970 188167460 /nfs/dbraw/zinc/16/74/60/188167460.db2.gz BCWVBJVGSFWPLC-CYBMUJFWSA-N 1 0 232.327 2.055 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000267330072 188196455 /nfs/dbraw/zinc/19/64/55/188196455.db2.gz BQWXIAWLYHADRQ-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](CCOC)COC ZINC000336763900 353248757 /nfs/dbraw/zinc/24/87/57/353248757.db2.gz MQIKZECBJBYEPJ-YNEHKIRRSA-N 1 0 229.364 2.228 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)CC(C)(C)O)c1 ZINC000126391981 353249342 /nfs/dbraw/zinc/24/93/42/353249342.db2.gz WGZKMNNPFIWUQO-UHFFFAOYSA-N 1 0 249.354 2.454 20 30 BEEDRO CC(C)[N@@H+]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000271033522 188198793 /nfs/dbraw/zinc/19/87/93/188198793.db2.gz ZYNKLYBCXZIPGA-UHFFFAOYSA-N 1 0 247.342 2.067 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000336764605 353258071 /nfs/dbraw/zinc/25/80/71/353258071.db2.gz QHEAGHLRKRFTTB-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000331307428 353243801 /nfs/dbraw/zinc/24/38/01/353243801.db2.gz BCUISYWAJALONZ-FRRDWIJNSA-N 1 0 224.348 2.065 20 30 BEEDRO Fc1ccc(C#CC[NH+]2CCCC2)cc1 ZINC000127680954 353273440 /nfs/dbraw/zinc/27/34/40/353273440.db2.gz SXOSBLIWMQSDBH-UHFFFAOYSA-N 1 0 203.260 2.273 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)c(F)c1 ZINC000342197222 188218410 /nfs/dbraw/zinc/21/84/10/188218410.db2.gz BVWWPOPXFSBWCM-KOLCDFICSA-N 1 0 240.228 2.441 20 30 BEEDRO C#CCCN1CCSC[C@@H]1c1nccs1 ZINC000274554078 188201313 /nfs/dbraw/zinc/20/13/13/188201313.db2.gz VPVCNJUOCJBBHV-SNVBAGLBSA-N 1 0 238.381 2.256 20 30 BEEDRO COC[C@@H](CC(C)C)[NH2+]CC1(CC#N)CC1 ZINC000336768632 353281316 /nfs/dbraw/zinc/28/13/16/353281316.db2.gz RDABSQHCOFIZKW-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO COC[C@H](CC(C)C)[NH2+]CC1(CC#N)CC1 ZINC000336768633 353281538 /nfs/dbraw/zinc/28/15/38/353281538.db2.gz RDABSQHCOFIZKW-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000128292756 353286220 /nfs/dbraw/zinc/28/62/20/353286220.db2.gz ZIHUGCNAFZZVLL-CHWSQXEVSA-N 1 0 236.359 2.141 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCCC1 ZINC000336769563 353290610 /nfs/dbraw/zinc/29/06/10/353290610.db2.gz VTJVRTAMEZZGDP-WCQYABFASA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000162996437 353334666 /nfs/dbraw/zinc/33/46/66/353334666.db2.gz YRSOEKCEPHUROX-JSGCOSHPSA-N 1 0 247.313 2.192 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)[C@H]1CCOC1 ZINC000162996569 353334701 /nfs/dbraw/zinc/33/47/01/353334701.db2.gz YRSOEKCEPHUROX-OCCSQVGLSA-N 1 0 247.313 2.192 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)CCSC ZINC000129603643 353325161 /nfs/dbraw/zinc/32/51/61/353325161.db2.gz IDUSKCIVMMDDQI-NWDGAFQWSA-N 1 0 231.405 2.387 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000619672975 363215598 /nfs/dbraw/zinc/21/55/98/363215598.db2.gz UFMNNIWFXFETIX-MBNYWOFBSA-N 1 0 229.327 2.467 20 30 BEEDRO C=CCOc1cccc(CN2CCOC[C@H]2C)c1 ZINC000130746218 353357159 /nfs/dbraw/zinc/35/71/59/353357159.db2.gz PFPNULVUDKCVCR-CYBMUJFWSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130937088 353366305 /nfs/dbraw/zinc/36/63/05/353366305.db2.gz RCMDGFLEFWIZFJ-JUFZMCDQSA-N 1 0 231.405 2.286 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)NCc1ccccc1 ZINC000076734126 353340814 /nfs/dbraw/zinc/34/08/14/353340814.db2.gz ANKCDJHPBDBFQQ-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000130536825 353353574 /nfs/dbraw/zinc/35/35/74/353353574.db2.gz FOGQNHDPSIRVJB-NSHDSACASA-N 1 0 232.327 2.230 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1nccs1 ZINC000090883696 353395157 /nfs/dbraw/zinc/39/51/57/353395157.db2.gz IBNUMOPUZABNNT-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](CNC(=O)C(C)C)C1 ZINC000132740449 353383959 /nfs/dbraw/zinc/38/39/59/353383959.db2.gz YRBZKTHNQVECHC-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000090450976 353385601 /nfs/dbraw/zinc/38/56/01/353385601.db2.gz DDFSMRUTUUCBDQ-ZDUSSCGKSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CCCCC[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000090399100 353387611 /nfs/dbraw/zinc/38/76/11/353387611.db2.gz IBSDJVREYDOXQL-ZDUSSCGKSA-N 1 0 219.332 2.264 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080747 353400281 /nfs/dbraw/zinc/40/02/81/353400281.db2.gz FZBTVGQSOVJDIA-LLVKDONJSA-N 1 0 205.305 2.349 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000281389156 353446282 /nfs/dbraw/zinc/44/62/82/353446282.db2.gz ZJFHXAQYNRBSTI-ZIAGYGMSSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CC=CCC2)C1=O ZINC000281122160 353430550 /nfs/dbraw/zinc/43/05/50/353430550.db2.gz CEMNFIVVIPIECS-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CC=CCC2)C1=O ZINC000281122156 353430638 /nfs/dbraw/zinc/43/06/38/353430638.db2.gz CEMNFIVVIPIECS-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCCC[N@@H+](CCOC)Cc1cccnc1 ZINC000191127920 353431267 /nfs/dbraw/zinc/43/12/67/353431267.db2.gz WYVLEODVWWZZKZ-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@H](C)CC)c1 ZINC000182591005 353484782 /nfs/dbraw/zinc/48/47/82/353484782.db2.gz TVEKPCATTIEISS-GFCCVEGCSA-N 1 0 244.338 2.337 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCn1ccnc1 ZINC000182670428 353489114 /nfs/dbraw/zinc/48/91/14/353489114.db2.gz KHBPEMUJRJMPOP-UHFFFAOYSA-N 1 0 207.321 2.171 20 30 BEEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)[C@@H](C)CC)c1 ZINC000182591027 353490894 /nfs/dbraw/zinc/49/08/94/353490894.db2.gz TVEKPCATTIEISS-LBPRGKRZSA-N 1 0 244.338 2.337 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000412404371 191282324 /nfs/dbraw/zinc/28/23/24/191282324.db2.gz SNBRJUCQEVFDIX-LBPRGKRZSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(O)CSC ZINC000134923392 353516219 /nfs/dbraw/zinc/51/62/19/353516219.db2.gz OQQVOFBXUPFELM-MNOVXSKESA-N 1 0 217.378 2.045 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000134882550 353516901 /nfs/dbraw/zinc/51/69/01/353516901.db2.gz DTGNARQNUXNIMY-AXFHLTTASA-N 1 0 244.766 2.116 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183315588 353530693 /nfs/dbraw/zinc/53/06/93/353530693.db2.gz CFDIGNNVZFMWOD-ZDUSSCGKSA-N 1 0 249.354 2.422 20 30 BEEDRO C#CC[N@H+](C)CCSc1ccccc1F ZINC000192232856 353538392 /nfs/dbraw/zinc/53/83/92/353538392.db2.gz QFQGZHXVROZIRI-UHFFFAOYSA-N 1 0 223.316 2.483 20 30 BEEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1CC#Cc1ccccc1 ZINC000192120029 353542723 /nfs/dbraw/zinc/54/27/23/353542723.db2.gz INZJMAYQVQSUHF-GOEBONIOSA-N 1 0 243.350 2.273 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]CC#Cc1ccccc1 ZINC000192164139 353545675 /nfs/dbraw/zinc/54/56/75/353545675.db2.gz LKMGSNZIYDKMFW-HNNXBMFYSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CCC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285541798 353546401 /nfs/dbraw/zinc/54/64/01/353546401.db2.gz PXLHMIIYGLEPSM-UHFFFAOYSA-N 1 0 219.284 2.163 20 30 BEEDRO C[C@]1(O)CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000230379334 353495927 /nfs/dbraw/zinc/49/59/27/353495927.db2.gz YOYCUMNIAREFDE-INIZCTEOSA-N 1 0 243.350 2.275 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC[C@H](C)[NH3+] ZINC000193258241 353578757 /nfs/dbraw/zinc/57/87/57/353578757.db2.gz RWNRLQMXZLSAIE-LBPRGKRZSA-N 1 0 226.364 2.319 20 30 BEEDRO CC[C@@H](C)[N@@H+](CC#Cc1ccc(F)cc1)CCO ZINC000287412514 353582787 /nfs/dbraw/zinc/58/27/87/353582787.db2.gz OOPDOHXXEJBDRJ-CYBMUJFWSA-N 1 0 249.329 2.270 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000193505902 353596700 /nfs/dbraw/zinc/59/67/00/353596700.db2.gz PEYRMNHPENXJBL-DGCLKSJQSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2c1cccc2OC ZINC000273391271 188444970 /nfs/dbraw/zinc/44/49/70/188444970.db2.gz DRAQPCRKPNKKJI-FZMZJTMJSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CC[NH2+]Cc1ccc(COCCOC)cc1 ZINC000289646740 353624990 /nfs/dbraw/zinc/62/49/90/353624990.db2.gz HIUDIXXUAFHHHE-UHFFFAOYSA-N 1 0 235.327 2.125 20 30 BEEDRO C=CCOc1cccc(CN(C)CC[NH+](C)C)c1 ZINC000289662346 353625036 /nfs/dbraw/zinc/62/50/36/353625036.db2.gz CYNZIXDVFDKDHQ-UHFFFAOYSA-N 1 0 248.370 2.245 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000289675438 353625996 /nfs/dbraw/zinc/62/59/96/353625996.db2.gz HMKPNDVZFMAGCS-YPMHNXCESA-N 1 0 242.322 2.432 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2(COC)CCC2)cc1 ZINC000289388078 353627610 /nfs/dbraw/zinc/62/76/10/353627610.db2.gz NFKZVMPPRGRDBL-UHFFFAOYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000289390560 353627796 /nfs/dbraw/zinc/62/77/96/353627796.db2.gz NMBCJIRIIYFFNU-CYBMUJFWSA-N 1 0 217.312 2.448 20 30 BEEDRO C#CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000289400461 353627801 /nfs/dbraw/zinc/62/78/01/353627801.db2.gz NXKFDXRDTDHTJR-GJZGRUSLSA-N 1 0 228.339 2.045 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1 ZINC000289546207 353632122 /nfs/dbraw/zinc/63/21/22/353632122.db2.gz FYVALSHZOKZZEI-CQSZACIVSA-N 1 0 231.339 2.165 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000289806913 353636411 /nfs/dbraw/zinc/63/64/11/353636411.db2.gz OFTQDELZHQUFCE-WFASDCNBSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000289809866 353636530 /nfs/dbraw/zinc/63/65/30/353636530.db2.gz LNDMUCGQCCRZHY-ZDUSSCGKSA-N 1 0 235.327 2.110 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCc1cccc(F)c1 ZINC000289807087 353636753 /nfs/dbraw/zinc/63/67/53/353636753.db2.gz OHDVAWUWRJAYJC-FZMZJTMJSA-N 1 0 237.318 2.283 20 30 BEEDRO N#CC1(CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000343314411 353638935 /nfs/dbraw/zinc/63/89/35/353638935.db2.gz NHGMDLMMSVNFIK-AWEZNQCLSA-N 1 0 247.386 2.240 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)C/C=C/C)cc1 ZINC000289856031 353640836 /nfs/dbraw/zinc/64/08/36/353640836.db2.gz VRERIFSTLOIFHL-SJDLMVEWSA-N 1 0 229.323 2.085 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1 ZINC000289840700 353641035 /nfs/dbraw/zinc/64/10/35/353641035.db2.gz OYCUMFKNDRUUSS-OLZOCXBDSA-N 1 0 247.338 2.212 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000289884017 353641503 /nfs/dbraw/zinc/64/15/03/353641503.db2.gz SEBUVRITEJZYCK-IUODEOHRSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1OC ZINC000289926943 353643022 /nfs/dbraw/zinc/64/30/22/353643022.db2.gz VGKSTRWOPPEJPO-NWDGAFQWSA-N 1 0 235.327 2.201 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000289903444 353643416 /nfs/dbraw/zinc/64/34/16/353643416.db2.gz NORXIGNEZFXQLQ-CYBMUJFWSA-N 1 0 219.332 2.405 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1 ZINC000289961604 353644616 /nfs/dbraw/zinc/64/46/16/353644616.db2.gz CBXNNDZVCZNMJQ-ZDUSSCGKSA-N 1 0 239.322 2.043 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289997616 353645446 /nfs/dbraw/zinc/64/54/46/353645446.db2.gz SUAUXMJUTGNLOB-GFCCVEGCSA-N 1 0 237.734 2.197 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000290324085 353649888 /nfs/dbraw/zinc/64/98/88/353649888.db2.gz JUOJCNBTEMAORF-AWEZNQCLSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000290203254 353651302 /nfs/dbraw/zinc/65/13/02/353651302.db2.gz DELJWXKMJTVIEX-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000336780884 353609647 /nfs/dbraw/zinc/60/96/47/353609647.db2.gz SKFSWQCLAUJICC-JSGCOSHPSA-N 1 0 231.364 2.379 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)cc1 ZINC000289357327 353613470 /nfs/dbraw/zinc/61/34/70/353613470.db2.gz NTURIIJDOVQYJN-CYBMUJFWSA-N 1 0 243.350 2.261 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](c1nncn1C)C(C)C ZINC000289339551 353613905 /nfs/dbraw/zinc/61/39/05/353613905.db2.gz HQLVFUOZHDDILK-NWDGAFQWSA-N 1 0 236.363 2.457 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000289035717 353616451 /nfs/dbraw/zinc/61/64/51/353616451.db2.gz HJMGSMAEHYKMEP-HZPDHXFCSA-N 1 0 241.334 2.421 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000289120299 353617595 /nfs/dbraw/zinc/61/75/95/353617595.db2.gz DMCIELFLCAXVBX-CYBMUJFWSA-N 1 0 232.283 2.342 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000289109997 353618084 /nfs/dbraw/zinc/61/80/84/353618084.db2.gz CSENIGFRZGHIDJ-IJEWVQPXSA-N 1 0 242.366 2.118 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)cc1 ZINC000289216363 353619411 /nfs/dbraw/zinc/61/94/11/353619411.db2.gz JALRRGPINMESLE-HOTGVXAUSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCn2ccnc2)cc1 ZINC000289205267 353620363 /nfs/dbraw/zinc/62/03/63/353620363.db2.gz IAXAOIMMLQGCBV-UHFFFAOYSA-N 1 0 239.322 2.044 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn2ccccc12)C(C)(C)C ZINC000289244892 353620685 /nfs/dbraw/zinc/62/06/85/353620685.db2.gz ANHFYXHJFUNQCA-AWEZNQCLSA-N 1 0 241.338 2.472 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000289229638 353620784 /nfs/dbraw/zinc/62/07/84/353620784.db2.gz KASSVGOAJAEJOH-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc1 ZINC000290487763 353656651 /nfs/dbraw/zinc/65/66/51/353656651.db2.gz VSFXEHZHYVEZTP-QWHCGFSZSA-N 1 0 231.339 2.165 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccc(C#N)cc1 ZINC000038088811 188473106 /nfs/dbraw/zinc/47/31/06/188473106.db2.gz UCOLEXRUQJMKMC-VXGBXAGGSA-N 1 0 231.343 2.159 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1cnccn1 ZINC000184422691 353657648 /nfs/dbraw/zinc/65/76/48/353657648.db2.gz XAKBIZZGZMPHFJ-NSHDSACASA-N 1 0 205.305 2.436 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@](C)(O)CCC)cc1 ZINC000290436658 353663500 /nfs/dbraw/zinc/66/35/00/353663500.db2.gz RZLKBFADWYMSRH-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C(C)C ZINC000291042621 353679047 /nfs/dbraw/zinc/67/90/47/353679047.db2.gz LHEZMMXAUGMASD-JTQLQIEISA-N 1 0 241.285 2.105 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCCCCOc1ccccc1 ZINC000291542403 353690136 /nfs/dbraw/zinc/69/01/36/353690136.db2.gz LINZDMKWIFPMQV-AWEZNQCLSA-N 1 0 249.354 2.372 20 30 BEEDRO N#CC1(CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000343316354 353654555 /nfs/dbraw/zinc/65/45/55/353654555.db2.gz SAUORSHVMOOXCY-AWEZNQCLSA-N 1 0 247.386 2.098 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)C(=O)NC)c1ccco1 ZINC000291879771 353700793 /nfs/dbraw/zinc/70/07/93/353700793.db2.gz JIWKUIMFYORCOG-QWRGUYRKSA-N 1 0 236.315 2.011 20 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C=CCCC[NH2+]C1CC(n2cccn2)C1 ZINC000639119296 353754956 /nfs/dbraw/zinc/75/49/56/353754956.db2.gz OOSHRNOAWQYYKL-UHFFFAOYSA-N 1 0 205.305 2.142 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1occc1C ZINC000293736885 353755896 /nfs/dbraw/zinc/75/58/96/353755896.db2.gz ZSFMEBNYGVJISE-UHFFFAOYSA-N 1 0 209.289 2.222 20 30 BEEDRO C#C[C@@H](NC(=O)Nc1ccnc(C)c1)C(C)C ZINC000294236515 353771936 /nfs/dbraw/zinc/77/19/36/353771936.db2.gz OKOGBMRTHOGUAT-GFCCVEGCSA-N 1 0 231.299 2.169 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc2c(c1)CCO2 ZINC000293047315 353737329 /nfs/dbraw/zinc/73/73/29/353737329.db2.gz HONJQKAEGQBBRP-UHFFFAOYSA-N 1 0 229.323 2.119 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000295056553 353796935 /nfs/dbraw/zinc/79/69/35/353796935.db2.gz BNFLTIZDEQDBTQ-UHFFFAOYSA-N 1 0 232.327 2.162 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](Cc1ccccc1)OC ZINC000295044611 353797100 /nfs/dbraw/zinc/79/71/00/353797100.db2.gz ODPITJZDKFIAET-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO CC#CCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185483215 353810950 /nfs/dbraw/zinc/81/09/50/353810950.db2.gz NMMVDZAUBGOVMX-UHFFFAOYSA-N 1 0 243.350 2.383 20 30 BEEDRO C#CCC[N@@H+](C)CCc1ccccc1C ZINC000295821317 353815176 /nfs/dbraw/zinc/81/51/76/353815176.db2.gz XVNLLDCDQCORGB-UHFFFAOYSA-N 1 0 201.313 2.493 20 30 BEEDRO C=CCN1CCO[C@H](c2ccccc2F)C1 ZINC000066846007 353818069 /nfs/dbraw/zinc/81/80/69/353818069.db2.gz AJCKWUPOHVKPAI-ZDUSSCGKSA-N 1 0 221.275 2.385 20 30 BEEDRO CC#CC[N@@H+](C)C[C@H](Cc1ccccc1)OC ZINC000296694488 353830943 /nfs/dbraw/zinc/83/09/43/353830943.db2.gz KFHWOTBPHQMRPG-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO C=CCCN(C)Cc1cc(F)ncc1F ZINC000297032619 353833426 /nfs/dbraw/zinc/83/34/26/353833426.db2.gz XMDOIJYPJUWCMQ-UHFFFAOYSA-N 1 0 212.243 2.368 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C(\C)CC)CC1 ZINC000294632294 353787093 /nfs/dbraw/zinc/78/70/93/353787093.db2.gz OHVYPIZEVWRDEX-VAWYXSNFSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)C1CCOCC1 ZINC000343379390 353875123 /nfs/dbraw/zinc/87/51/23/353875123.db2.gz BPSBZIUHLCABTQ-KGLIPLIRSA-N 1 0 241.375 2.108 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000336530329 181028677 /nfs/dbraw/zinc/02/86/77/181028677.db2.gz DNBHREJBKMEXLA-LBPRGKRZSA-N 1 0 234.343 2.229 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639141926 353849653 /nfs/dbraw/zinc/84/96/53/353849653.db2.gz BZZLLQZXGSUHQX-IHRRRGAJSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639141928 353849669 /nfs/dbraw/zinc/84/96/69/353849669.db2.gz BZZLLQZXGSUHQX-MJBXVCDLSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000639145438 353851696 /nfs/dbraw/zinc/85/16/96/353851696.db2.gz LICBQJJNAXUISM-HZSPNIEDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000343497932 353913475 /nfs/dbraw/zinc/91/34/75/353913475.db2.gz GQKNTZRVNGOYMU-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCCCOc1ccccc1 ZINC000343604822 353931632 /nfs/dbraw/zinc/93/16/32/353931632.db2.gz NULQGTWUECMTRW-AWEZNQCLSA-N 1 0 249.354 2.372 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000364707591 181036133 /nfs/dbraw/zinc/03/61/33/181036133.db2.gz QHDJRIRZEBVYSY-AWEZNQCLSA-N 1 0 229.327 2.250 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000364707596 181036179 /nfs/dbraw/zinc/03/61/79/181036179.db2.gz QHDJRIRZEBVYSY-CQSZACIVSA-N 1 0 229.327 2.250 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)CC(C)(C)O)cc1 ZINC000343590318 353941763 /nfs/dbraw/zinc/94/17/63/353941763.db2.gz PGOPJXLMUDOUOG-UHFFFAOYSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@@H](O)C(C)(C)C ZINC000343762115 353976941 /nfs/dbraw/zinc/97/69/41/353976941.db2.gz GVARKINXYLGOMI-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343765778 353979760 /nfs/dbraw/zinc/97/97/60/353979760.db2.gz JVXDBBKGWZPJKZ-FRRDWIJNSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000343770581 353982940 /nfs/dbraw/zinc/98/29/40/353982940.db2.gz SLWDEFOVMSOUPG-NWDGAFQWSA-N 1 0 226.364 2.044 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cncc(C)c1 ZINC000343826316 354015992 /nfs/dbraw/zinc/01/59/92/354015992.db2.gz AVONOZFEFHNRMY-OLZOCXBDSA-N 1 0 234.343 2.225 20 30 BEEDRO C=CCCC[NH+]1CCC(CC)(CO)CC1 ZINC000344024105 354085456 /nfs/dbraw/zinc/08/54/56/354085456.db2.gz VOQPYWFPSISYDX-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO N#Cc1c(Cl)cccc1O[C@@H]1CCC[NH2+]C1 ZINC000052908617 181073365 /nfs/dbraw/zinc/07/33/65/181073365.db2.gz GKUDBFNEPRQSOP-SECBINFHSA-N 1 0 236.702 2.342 20 30 BEEDRO N#Cc1c(Cl)cccc1N1CCC[NH2+]CC1 ZINC000052903040 181073385 /nfs/dbraw/zinc/07/33/85/181073385.db2.gz JMDWSDICPLIUJS-UHFFFAOYSA-N 1 0 235.718 2.011 20 30 BEEDRO N#Cc1c(F)cccc1NC[C@H]1CCC[NH2+]C1 ZINC000044502847 181076384 /nfs/dbraw/zinc/07/63/84/181076384.db2.gz ILBGSFYVEDFETB-JTQLQIEISA-N 1 0 233.290 2.109 20 30 BEEDRO C[C@H]1C[C@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000344116939 354142549 /nfs/dbraw/zinc/14/25/49/354142549.db2.gz BCUGXPWCZRZECA-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000449694443 202002017 /nfs/dbraw/zinc/00/20/17/202002017.db2.gz BRXCJXXCFUQJIB-FRRDWIJNSA-N 1 0 243.416 2.433 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449694025 202003275 /nfs/dbraw/zinc/00/32/75/202003275.db2.gz AHEDUOCDCQOGPK-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000449694026 202003286 /nfs/dbraw/zinc/00/32/86/202003286.db2.gz AHEDUOCDCQOGPK-QWHCGFSZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C/C=C\c1ccncc1 ZINC000449701079 202004123 /nfs/dbraw/zinc/00/41/23/202004123.db2.gz VXZPZWHNMXBWQT-ZRUQZJFASA-N 1 0 232.327 2.012 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(CCC)CC[NH+](C)C ZINC000344101412 354158460 /nfs/dbraw/zinc/15/84/60/354158460.db2.gz DFFKNDAMDSABOR-CQSZACIVSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449734063 202011355 /nfs/dbraw/zinc/01/13/55/202011355.db2.gz LTHLXFBJRGBSDF-OLZOCXBDSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000449733746 202012087 /nfs/dbraw/zinc/01/20/87/202012087.db2.gz JMSHQVRTQLGEGS-UHFFFAOYSA-N 1 0 233.237 2.484 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnccc1N(C)C ZINC000449736907 202012632 /nfs/dbraw/zinc/01/26/32/202012632.db2.gz XPPKMMRAQQSLII-UHFFFAOYSA-N 1 0 219.332 2.203 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]2CCO)ccc1F ZINC000310666473 181085270 /nfs/dbraw/zinc/08/52/70/181085270.db2.gz GHSUZBNYJFQZGP-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)C1CCC1 ZINC000449739952 202016762 /nfs/dbraw/zinc/01/67/62/202016762.db2.gz MVIYCRVQURMUGO-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1nccn1C ZINC000344291101 354206182 /nfs/dbraw/zinc/20/61/82/354206182.db2.gz ICKIFDNVSIUQSS-XQQFMLRXSA-N 1 0 249.358 2.194 20 30 BEEDRO N#Cc1cc(Cl)ccc1NC[C@@H]1CCC[NH2+]1 ZINC000053255439 181087041 /nfs/dbraw/zinc/08/70/41/181087041.db2.gz IWPDZHZTJKPLGE-NSHDSACASA-N 1 0 235.718 2.376 20 30 BEEDRO N#Cc1cc(F)c(NCC2([NH3+])CCC2)c(F)c1 ZINC000236181283 181087280 /nfs/dbraw/zinc/08/72/80/181087280.db2.gz HWGYSUIAFJZFTE-UHFFFAOYSA-N 1 0 237.253 2.130 20 30 BEEDRO N#Cc1cc(F)ccc1NCC[NH+]1CCCC1 ZINC000104253228 181088095 /nfs/dbraw/zinc/08/80/95/181088095.db2.gz ZDWCAVYUQTUIBM-UHFFFAOYSA-N 1 0 233.290 2.205 20 30 BEEDRO C=CCCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000344446781 354260987 /nfs/dbraw/zinc/26/09/87/354260987.db2.gz JFSDEXLTJIALHK-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO N#CCCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000344332706 354228795 /nfs/dbraw/zinc/22/87/95/354228795.db2.gz ZEHNPLBZVSJSCA-UHFFFAOYSA-N 1 0 248.717 2.381 20 30 BEEDRO N#Cc1cc(N[C@@H](C[NH3+])C2CCCCC2)ccn1 ZINC000130848846 181091964 /nfs/dbraw/zinc/09/19/64/181091964.db2.gz UWHKQQVFBHLLIN-AWEZNQCLSA-N 1 0 244.342 2.273 20 30 BEEDRO CC(C)[NH2+]C1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000334615561 354301427 /nfs/dbraw/zinc/30/14/27/354301427.db2.gz KXGYTTWHOUCXBS-GXTWGEPZSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCCC[NH+]1CCN(C2CCC2)CC1 ZINC000344545554 354313412 /nfs/dbraw/zinc/31/34/12/354313412.db2.gz LITXBJDCJCIRJD-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)c2ccsc2)o1 ZINC000230664970 181107814 /nfs/dbraw/zinc/10/78/14/181107814.db2.gz NAAWDCSNMDBWDG-GFCCVEGCSA-N 1 0 248.307 2.036 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CCSCC2)o1 ZINC000135485836 181107839 /nfs/dbraw/zinc/10/78/39/181107839.db2.gz ATWMWELAQYHMHB-UHFFFAOYSA-N 1 0 236.340 2.384 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCc2ccccn2)o1 ZINC000178933423 181107918 /nfs/dbraw/zinc/10/79/18/181107918.db2.gz QXLIIAKINCYQCD-UHFFFAOYSA-N 1 0 241.294 2.269 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)s1 ZINC000135497872 181108390 /nfs/dbraw/zinc/10/83/90/181108390.db2.gz RLDCMLJDVBODSZ-JTQLQIEISA-N 1 0 236.340 2.278 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000344607984 354324946 /nfs/dbraw/zinc/32/49/46/354324946.db2.gz RUSJLCAHUQXOCP-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(O)CCCCCC2)o1 ZINC000135188966 181108678 /nfs/dbraw/zinc/10/86/78/181108678.db2.gz PEZTVZHMVZYDBZ-UHFFFAOYSA-N 1 0 248.326 2.326 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000038043852 181108716 /nfs/dbraw/zinc/10/87/16/181108716.db2.gz WWESVSPZKAGDLD-AWEZNQCLSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCN2CCCCC2)cc1 ZINC000042226237 181108833 /nfs/dbraw/zinc/10/88/33/181108833.db2.gz TYTKLWJJEXOECU-UHFFFAOYSA-N 1 0 243.354 2.134 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](CO)C2)o1 ZINC000342249695 181109096 /nfs/dbraw/zinc/10/90/96/181109096.db2.gz PIQMQYOUVTWPPF-RYUDHWBXSA-N 1 0 248.326 2.040 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCCO2)s1 ZINC000135497890 181109436 /nfs/dbraw/zinc/10/94/36/181109436.db2.gz RLDCMLJDVBODSZ-SNVBAGLBSA-N 1 0 236.340 2.278 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000189928653 181110260 /nfs/dbraw/zinc/11/02/60/181110260.db2.gz UKEVUNCJCRGBPH-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOCC2)s1 ZINC000181028395 181110291 /nfs/dbraw/zinc/11/02/91/181110291.db2.gz OOFZPLDEDYWRHU-JTQLQIEISA-N 1 0 236.340 2.278 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(CCO)CCCC2)cc1 ZINC000285562697 181107021 /nfs/dbraw/zinc/10/70/21/181107021.db2.gz RTAFJWJSLPMLGI-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO N#Cc1ccc(NCC[NH+]2CCCCCC2)cn1 ZINC000149354161 181121552 /nfs/dbraw/zinc/12/15/52/181121552.db2.gz XDZIRWVFWJEYGP-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO N#Cc1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000037404512 181122448 /nfs/dbraw/zinc/12/24/48/181122448.db2.gz APTBBJVOPARMAG-ZDUSSCGKSA-N 1 0 241.338 2.454 20 30 BEEDRO N#Cc1ccc(Cl)cc1O[C@@H]1CCC[NH2+]C1 ZINC000062786598 181111987 /nfs/dbraw/zinc/11/19/87/181111987.db2.gz JOVICHVXBPYORX-LLVKDONJSA-N 1 0 236.702 2.342 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449749681 202019978 /nfs/dbraw/zinc/01/99/78/202019978.db2.gz GQNSBPVBYFPJRN-LBPRGKRZSA-N 1 0 236.359 2.012 20 30 BEEDRO N#CC1(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)CCC1 ZINC000334623783 354362698 /nfs/dbraw/zinc/36/26/98/354362698.db2.gz XDVMKDLAOTZGIF-TXEJJXNPSA-N 1 0 204.317 2.412 20 30 BEEDRO N#Cc1ccc(NC[C@H]2CCC[NH2+]2)cc1Cl ZINC000061847084 181123912 /nfs/dbraw/zinc/12/39/12/181123912.db2.gz XPNVDNNNWICDOV-LLVKDONJSA-N 1 0 235.718 2.376 20 30 BEEDRO N#Cc1ccc(N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000236213055 181124377 /nfs/dbraw/zinc/12/43/77/181124377.db2.gz XCHNDLQURHXSAT-AWEZNQCLSA-N 1 0 229.327 2.488 20 30 BEEDRO N#Cc1ccc(N[C@H](C[NH3+])C2CCCCC2)cn1 ZINC000129914004 181125703 /nfs/dbraw/zinc/12/57/03/181125703.db2.gz GODHZGWLPYRQHS-CQSZACIVSA-N 1 0 244.342 2.273 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCSCC1 ZINC000334678783 354423221 /nfs/dbraw/zinc/42/32/21/354423221.db2.gz HDSUNOAOFXGZFE-NEPJUHHUSA-N 1 0 227.373 2.205 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2CCC[C@@H]2CO)CC1 ZINC000334681515 354427186 /nfs/dbraw/zinc/42/71/86/354427186.db2.gz KXUAZPSWDZEWTO-NELGMTEASA-N 1 0 236.359 2.209 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccccc1F ZINC000104154008 535261839 /nfs/dbraw/zinc/26/18/39/535261839.db2.gz JDCQGSVZQRYBDT-UHFFFAOYSA-N 1 0 223.295 2.030 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000349721462 366219466 /nfs/dbraw/zinc/21/94/66/366219466.db2.gz AXEGJNCDSFIALC-SNVBAGLBSA-N 1 0 235.331 2.342 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)o2)[C@@H]2COC[C@@H]21 ZINC000334746523 354470503 /nfs/dbraw/zinc/47/05/03/354470503.db2.gz RAZYQQBTPCNLKK-QWHCGFSZSA-N 1 0 246.310 2.008 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCSC2)c1 ZINC000037748516 181137975 /nfs/dbraw/zinc/13/79/75/181137975.db2.gz LOTKRHFNVJSJAS-LBPRGKRZSA-N 1 0 218.325 2.153 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000247735735 181138132 /nfs/dbraw/zinc/13/81/32/181138132.db2.gz VNSZJKAYTJHRNG-NNUKFRKNSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCc2ccco2)c1 ZINC000035121844 181138352 /nfs/dbraw/zinc/13/83/52/181138352.db2.gz KOCVPESPGLJKIP-UHFFFAOYSA-N 1 0 226.279 2.484 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000334739355 354542634 /nfs/dbraw/zinc/54/26/34/354542634.db2.gz SRXMQZOUTOTWOT-GXTWGEPZSA-N 1 0 229.327 2.480 20 30 BEEDRO N#Cc1cccc(C2([NH2+]CCF)CC2)c1 ZINC000336737003 181136689 /nfs/dbraw/zinc/13/66/89/181136689.db2.gz PROPFCCEJJTTTJ-UHFFFAOYSA-N 1 0 204.248 2.106 20 30 BEEDRO N#Cc1cccc(CC[NH2+]C[C@H]2CCSC2)c1 ZINC000341468939 181136931 /nfs/dbraw/zinc/13/69/31/181136931.db2.gz AMDHDPVLJCLRHR-CQSZACIVSA-N 1 0 246.379 2.443 20 30 BEEDRO N#Cc1cccc(NCC[NH+]2CCCCCC2)n1 ZINC000081595756 181141510 /nfs/dbraw/zinc/14/15/10/181141510.db2.gz IFNUAYDBXQQCJG-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO N#Cc1cccc(OCCC[NH+]2CCCC2)c1 ZINC000034673843 181142874 /nfs/dbraw/zinc/14/28/74/181142874.db2.gz VWFGGGWYSWEIPS-UHFFFAOYSA-N 1 0 230.311 2.423 20 30 BEEDRO N#Cc1ccccc1C[N@@H+](CCCCO)C1CC1 ZINC000353571819 181146079 /nfs/dbraw/zinc/14/60/79/181146079.db2.gz SIMIYGQPBUPNHG-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000345591141 354724479 /nfs/dbraw/zinc/72/44/79/354724479.db2.gz XCWAYHQVPQIWFY-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000345523970 354672403 /nfs/dbraw/zinc/67/24/03/354672403.db2.gz OQMVTGGOGWIXMX-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO CC#CC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000335121570 354760265 /nfs/dbraw/zinc/76/02/65/354760265.db2.gz VSCVCOUULXPMCP-CQSZACIVSA-N 1 0 233.355 2.291 20 30 BEEDRO CC#CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000335121569 354760374 /nfs/dbraw/zinc/76/03/74/354760374.db2.gz VSCVCOUULXPMCP-AWEZNQCLSA-N 1 0 233.355 2.291 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345725186 354744300 /nfs/dbraw/zinc/74/43/00/354744300.db2.gz WZHBYQOURCSNQK-TZMCWYRMSA-N 1 0 238.375 2.319 20 30 BEEDRO CC[NH+](CC)[C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000019846684 354744333 /nfs/dbraw/zinc/74/43/33/354744333.db2.gz HDMRUQJNGYUAGG-LLVKDONJSA-N 1 0 245.326 2.227 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000345910851 354806048 /nfs/dbraw/zinc/80/60/48/354806048.db2.gz SCMXXXRBQLUKEH-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)C1CCOCC1 ZINC000233871087 363409955 /nfs/dbraw/zinc/40/99/55/363409955.db2.gz IUBULVQMKKDKNH-JQWIXIFHSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000346081702 354861941 /nfs/dbraw/zinc/86/19/41/354861941.db2.gz DZFFLKAAPQXBQT-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)C1CCOCC1 ZINC000234005475 363413177 /nfs/dbraw/zinc/41/31/77/363413177.db2.gz IUBULVQMKKDKNH-CMPLNLGQSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1ccncc1NCC[NH+]1CCCCCC1 ZINC000135788782 181159270 /nfs/dbraw/zinc/15/92/70/181159270.db2.gz XJOZCBCEVADFEE-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000449753753 202022055 /nfs/dbraw/zinc/02/20/55/202022055.db2.gz HNLSXBDCEAMPAS-CHWSQXEVSA-N 1 0 234.299 2.198 20 30 BEEDRO C[C@H]1C[C@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335968482 134028712 /nfs/dbraw/zinc/02/87/12/134028712.db2.gz CTWMKCBZEBJESM-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO N#Cc1ncccc1OCCC[NH+]1CCCCC1 ZINC000341346242 181171992 /nfs/dbraw/zinc/17/19/92/181171992.db2.gz FVECWVOIUBWEQR-UHFFFAOYSA-N 1 0 245.326 2.208 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000449753858 202022347 /nfs/dbraw/zinc/02/23/47/202022347.db2.gz KBTBVRGAAVVDAA-YNEHKIRRSA-N 1 0 238.375 2.365 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H]2C(F)F)c1 ZINC000348233066 181166673 /nfs/dbraw/zinc/16/66/73/181166673.db2.gz UQBCTRBXRSZBNO-IUCAKERBSA-N 1 0 228.267 2.363 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCSC2)c1 ZINC000224164271 181166918 /nfs/dbraw/zinc/16/69/18/181166918.db2.gz VWTWOEVXRPSGQT-VIFPVBQESA-N 1 0 224.354 2.215 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC=CCC2)n1 ZINC000336356771 181167014 /nfs/dbraw/zinc/16/70/14/181167014.db2.gz GMMJAMUOXWBLIR-VIFPVBQESA-N 1 0 219.313 2.213 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC23CCCC3)n1 ZINC000334310611 181167070 /nfs/dbraw/zinc/16/70/70/181167070.db2.gz PMAPEADTZLFMKV-JTQLQIEISA-N 1 0 233.340 2.437 20 30 BEEDRO N#Cc1ncccc1NCCC[NH+]1CCCCC1 ZINC000290589521 181171502 /nfs/dbraw/zinc/17/15/02/181171502.db2.gz XBMTYRYOWSNSCF-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000346820212 355124806 /nfs/dbraw/zinc/12/48/06/355124806.db2.gz JPVNVDWSGDQSTN-FRRDWIJNSA-N 1 0 238.375 2.282 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639228776 355106750 /nfs/dbraw/zinc/10/67/50/355106750.db2.gz PDQKNRJMQCKFHJ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)C1(C(=O)OC)CCC1 ZINC000346804749 355109600 /nfs/dbraw/zinc/10/96/00/355109600.db2.gz HPLAQUSLTOSMHD-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000449759497 202024142 /nfs/dbraw/zinc/02/41/42/202024142.db2.gz JRUGNZOXIKDVCQ-NSHDSACASA-N 1 0 234.299 2.152 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)c1c(C)nn(C)c1C ZINC000346839981 355133615 /nfs/dbraw/zinc/13/36/15/355133615.db2.gz UBBZZFOJGJMTIP-GFCCVEGCSA-N 1 0 234.347 2.381 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CS[C@H](C)C1 ZINC000639232910 355214587 /nfs/dbraw/zinc/21/45/87/355214587.db2.gz QZCSGDCNSVZCAT-KXNHARMFSA-N 1 0 227.373 2.204 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CS[C@H](C)C1 ZINC000639232909 355214606 /nfs/dbraw/zinc/21/46/06/355214606.db2.gz QZCSGDCNSVZCAT-KKOKHZNYSA-N 1 0 227.373 2.204 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000352007189 134034965 /nfs/dbraw/zinc/03/49/65/134034965.db2.gz LKPJRDPBKGBXAF-MNOVXSKESA-N 1 0 233.302 2.291 20 30 BEEDRO [NH2+]=C(NCc1cccc(F)c1)NC1CCCC1 ZINC000048069714 181179976 /nfs/dbraw/zinc/17/99/76/181179976.db2.gz LSEGVCREHSYMQS-UHFFFAOYSA-N 1 0 235.306 2.173 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000414155506 191447944 /nfs/dbraw/zinc/44/79/44/191447944.db2.gz VCRNOGNYFFVOGQ-CLPYTZEMSA-N 1 0 209.333 2.354 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CCC)C(C)(C)C ZINC000414163538 191463561 /nfs/dbraw/zinc/46/35/61/191463561.db2.gz GFTUFJDTOFUCSA-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@]1(C)CCCO1 ZINC000414168425 191464694 /nfs/dbraw/zinc/46/46/94/191464694.db2.gz QQEQPVJFISTSFC-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCSCC[NH2+]Cc1cc(OC)ns1 ZINC000399098298 355359921 /nfs/dbraw/zinc/35/99/21/355359921.db2.gz CXYUVGRFMBIEQY-UHFFFAOYSA-N 1 0 244.385 2.161 20 30 BEEDRO COCC[C@@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000414478791 191518450 /nfs/dbraw/zinc/51/84/50/191518450.db2.gz GYKLNSKRTTYSDQ-GFCCVEGCSA-N 1 0 232.327 2.320 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1O ZINC000349831798 355487661 /nfs/dbraw/zinc/48/76/61/355487661.db2.gz VTDMVACZRLQFPE-CMPLNLGQSA-N 1 0 246.310 2.183 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc1O ZINC000349831810 355487717 /nfs/dbraw/zinc/48/77/17/355487717.db2.gz VTDMVACZRLQFPE-PWSUYJOCSA-N 1 0 246.310 2.183 20 30 BEEDRO C=C(C)CC[N@H+]1CCCN(C(C)C)CC1 ZINC000352031061 134044684 /nfs/dbraw/zinc/04/46/84/134044684.db2.gz YLNAJTRNXAZXBI-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)C[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000335841835 355586259 /nfs/dbraw/zinc/58/62/59/355586259.db2.gz CUZGLEGWUKPWRC-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415951200 191704343 /nfs/dbraw/zinc/70/43/43/191704343.db2.gz CDYBQZLZDFYUAB-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CCO[C@@H](C)C1)C1CC1 ZINC000350220550 355650973 /nfs/dbraw/zinc/65/09/73/355650973.db2.gz GENMXNXELMZYEW-RYUDHWBXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[NH2+]Cc1nc2ccccc2o1 ZINC000639306419 355661492 /nfs/dbraw/zinc/66/14/92/355661492.db2.gz CUSWSCYFKQAGBI-UHFFFAOYSA-N 1 0 202.257 2.494 20 30 BEEDRO C=CCCCCC[NH2+]Cc1ncnn1CC ZINC000639309809 355665348 /nfs/dbraw/zinc/66/53/48/355665348.db2.gz FIIQLBWDULAQIO-UHFFFAOYSA-N 1 0 222.336 2.134 20 30 BEEDRO CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(CC#N)CC1 ZINC000191062879 358498824 /nfs/dbraw/zinc/49/88/24/358498824.db2.gz HRVKBAQCGOKTBO-CABCVRRESA-N 1 0 247.386 2.120 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc(F)c1N ZINC000639315605 355707078 /nfs/dbraw/zinc/70/70/78/355707078.db2.gz KMSCMDJZKATLQG-UHFFFAOYSA-N 1 0 238.306 2.090 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639316075 355707464 /nfs/dbraw/zinc/70/74/64/355707464.db2.gz LRHPTKUUSQGZEM-UWVGGRQHSA-N 1 0 219.275 2.212 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639316077 355707587 /nfs/dbraw/zinc/70/75/87/355707587.db2.gz LRHPTKUUSQGZEM-ZJUUUORDSA-N 1 0 219.275 2.212 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000639316108 355708516 /nfs/dbraw/zinc/70/85/16/355708516.db2.gz MINYBIWGIBKTOY-UHFFFAOYSA-N 1 0 236.315 2.234 20 30 BEEDRO CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(CC#N)CC1 ZINC000191062909 358498612 /nfs/dbraw/zinc/49/86/12/358498612.db2.gz HRVKBAQCGOKTBO-HUUCEWRRSA-N 1 0 247.386 2.120 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639335515 355766550 /nfs/dbraw/zinc/76/65/50/355766550.db2.gz SQDRZZHSPOJMHP-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639335516 355766745 /nfs/dbraw/zinc/76/67/45/355766745.db2.gz SQDRZZHSPOJMHP-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@]1(C)C[C@H]1c1ccccc1 ZINC000639326157 355726079 /nfs/dbraw/zinc/72/60/79/355726079.db2.gz GBSYGSJKRMGMKD-ILXRZTDVSA-N 1 0 231.339 2.317 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639344308 355787223 /nfs/dbraw/zinc/78/72/23/355787223.db2.gz XCJJMLIENPPILI-QWHCGFSZSA-N 1 0 241.375 2.230 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cccc(C#N)c1 ZINC000417405574 191834359 /nfs/dbraw/zinc/83/43/59/191834359.db2.gz QDXYODSXSHBSEN-LEWSCRJBSA-N 1 0 230.311 2.122 20 30 BEEDRO CC[NH+](CC)CCNc1nc(C)cc(C)c1C#N ZINC000035121505 355835054 /nfs/dbraw/zinc/83/50/54/355835054.db2.gz JJFDMUPJWBQYOD-UHFFFAOYSA-N 1 0 246.358 2.324 20 30 BEEDRO COCC1(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000581010989 355836385 /nfs/dbraw/zinc/83/63/85/355836385.db2.gz AGXDDGRSDKFFBC-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCc1ccc(C[N@@H+](CCO)C2CCC2)cc1 ZINC000399086447 355836969 /nfs/dbraw/zinc/83/69/69/355836969.db2.gz UXLCPBZTXDDXSF-UHFFFAOYSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000425532078 191901496 /nfs/dbraw/zinc/90/14/96/191901496.db2.gz IJEVNGUDYIPYSK-KYOSRNDESA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H](CC#N)N(C)Cc1ccc(C#N)c(F)c1 ZINC000192070721 355952092 /nfs/dbraw/zinc/95/20/92/355952092.db2.gz XFACAJLIPULXHF-SNVBAGLBSA-N 1 0 231.274 2.431 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000351225411 355963835 /nfs/dbraw/zinc/96/38/35/355963835.db2.gz LJCICZOSSMTHAC-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO CCC[N@H+](C)C[C@@H]1CCN([C@H](C)CCC#N)C1 ZINC000351224326 355964255 /nfs/dbraw/zinc/96/42/55/355964255.db2.gz KDAQAFSNGHCOBC-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCCN1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000608748004 355971332 /nfs/dbraw/zinc/97/13/32/355971332.db2.gz CGANTCBWMPZHGQ-DTWKUNHWSA-N 1 0 223.238 2.214 20 30 BEEDRO C[C@H](CCC#N)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351643628 356042627 /nfs/dbraw/zinc/04/26/27/356042627.db2.gz IPZRRSFIFUMQOL-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO Cc1noc([C@@H]2CCC[N@@H+]([C@@H](C)CCC#N)C2)n1 ZINC000351633630 356057247 /nfs/dbraw/zinc/05/72/47/356057247.db2.gz OCQAKVVMNLCDKP-CMPLNLGQSA-N 1 0 248.330 2.250 20 30 BEEDRO C=C(C)CC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351634443 356058469 /nfs/dbraw/zinc/05/84/69/356058469.db2.gz MTVHZRHXPCFHMK-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H]1CCCCO1 ZINC000351611100 356027703 /nfs/dbraw/zinc/02/77/03/356027703.db2.gz 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202071267 /nfs/dbraw/zinc/07/12/67/202071267.db2.gz AOTXKPNPFNSCAK-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@]1(O)CC[N@H+](CCC2(C#N)CCCCC2)C1 ZINC000336280851 134141706 /nfs/dbraw/zinc/14/17/06/134141706.db2.gz IXUXVIFGUIMPOE-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1 ZINC000093298310 356605077 /nfs/dbraw/zinc/60/50/77/356605077.db2.gz LVWNFAUNFXLLOK-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C[N@H+](Cc1cccnc1)CC1(CC#N)CC1 ZINC000088259287 356646743 /nfs/dbraw/zinc/64/67/43/356646743.db2.gz YCRHRWKOLMULGW-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO C=C(C)C[N@H+]1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000639747845 356640876 /nfs/dbraw/zinc/64/08/76/356640876.db2.gz LIFJQIUOBYIXQH-GFCCVEGCSA-N 1 0 210.365 2.225 20 30 BEEDRO CCc1cc(NCCCCC#N)cc[nH+]1 ZINC000450310890 202126518 /nfs/dbraw/zinc/12/65/18/202126518.db2.gz BVZLNXQJLLEJCJ-UHFFFAOYSA-N 1 0 203.289 2.172 20 30 BEEDRO N#CC1(CN2CCC[C@@H]2C[NH+]2CCCC2)CCC1 ZINC000450340975 202133792 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ZINC000368657282 134219669 /nfs/dbraw/zinc/21/96/69/134219669.db2.gz AVBVORXDOMAFSZ-ZIAGYGMSSA-N 1 0 249.358 2.178 20 30 BEEDRO COC[C@@H]1CCCC[N@H+](CCCC#N)C1 ZINC000368656160 134220040 /nfs/dbraw/zinc/22/00/40/134220040.db2.gz UFPAIDUPJWTXOV-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCN(CCOC)Cc1ccc(C#N)cc1F ZINC000191761133 357794615 /nfs/dbraw/zinc/79/46/15/357794615.db2.gz HOKNRZICPNLEIA-UHFFFAOYSA-N 1 0 248.301 2.332 20 30 BEEDRO CN1CCC[N@H+](CCCCC(C)(C)C#N)CC1 ZINC000234330135 357800629 /nfs/dbraw/zinc/80/06/29/357800629.db2.gz KJANZANCZPZBAR-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000369899865 134223363 /nfs/dbraw/zinc/22/33/63/134223363.db2.gz KLWZSPRDLSBHGA-ZDUSSCGKSA-N 1 0 231.343 2.452 20 30 BEEDRO CC[NH+](CC)CCCN(CCC#N)CC1CC1 ZINC000191526519 357783430 /nfs/dbraw/zinc/78/34/30/357783430.db2.gz HUFSLGXOJURZOP-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C[C@@H]1COCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235290208 357852428 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N#CCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000088249847 359942238 /nfs/dbraw/zinc/94/22/38/359942238.db2.gz NUVIFSCCXFDBEP-UHFFFAOYSA-N 1 0 245.282 2.378 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000088249637 359942726 /nfs/dbraw/zinc/94/27/26/359942726.db2.gz QDGHVUFCAJJSQH-UHFFFAOYSA-N 1 0 245.282 2.378 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000451490380 202430015 /nfs/dbraw/zinc/43/00/15/202430015.db2.gz LVOIWHNAJBQPKV-UPJWGTAASA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@@](CO)([NH2+]CCCCC#N)c1ccccc1 ZINC000169254087 359984010 /nfs/dbraw/zinc/98/40/10/359984010.db2.gz ZHOIALQYOWWLBZ-AWEZNQCLSA-N 1 0 232.327 2.178 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)CC1CCOCC1 ZINC000090450977 360073276 /nfs/dbraw/zinc/07/32/76/360073276.db2.gz DDFSMRUTUUCBDQ-CYBMUJFWSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000309309558 491147303 /nfs/dbraw/zinc/14/73/03/491147303.db2.gz BOMGHMONWXCQIJ-TZMCWYRMSA-N 1 0 219.328 2.317 20 30 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C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO[C@@H]1C1CC1 ZINC000442832203 192993972 /nfs/dbraw/zinc/99/39/72/192993972.db2.gz AQPPCKIOMUVYDX-ZGKBOVNRSA-N 1 0 248.370 2.473 20 30 BEEDRO N#Cc1ccc(C[NH+]2C3CCC2CC3)nc1 ZINC000574649911 365112676 /nfs/dbraw/zinc/11/26/76/365112676.db2.gz IRROSXORMXCKFN-UHFFFAOYSA-N 1 0 213.284 2.080 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000442832380 192994899 /nfs/dbraw/zinc/99/48/99/192994899.db2.gz DCEZMAVQTNAAKV-YXCITZCRSA-N 1 0 234.343 2.226 20 30 BEEDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000442843376 192995917 /nfs/dbraw/zinc/99/59/17/192995917.db2.gz SKZCDPJLEUQIMF-AAVRWANBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCCCC#N ZINC000443340045 193017219 /nfs/dbraw/zinc/01/72/19/193017219.db2.gz FJEPCKLGRJNRBC-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000442902289 193003312 /nfs/dbraw/zinc/00/33/12/193003312.db2.gz 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WSMOWGWACSTQHH-SWLSCSKDSA-N 1 0 229.323 2.334 20 30 BEEDRO CC1(C)C[N@H+](CCOCCC#N)[C@@H]2CCC[C@H]21 ZINC000339719904 365472180 /nfs/dbraw/zinc/47/21/80/365472180.db2.gz WQIVAEFHBFHMPL-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)CC[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000576003643 365444867 /nfs/dbraw/zinc/44/48/67/365444867.db2.gz UHIIEFDAPBOTBK-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]CCOCCC#N)[C@H](C)C1 ZINC000339098619 365448250 /nfs/dbraw/zinc/44/82/50/365448250.db2.gz ZLIXPXKTOHBIPF-JHJVBQTASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCOCCC#N ZINC000339107342 365448931 /nfs/dbraw/zinc/44/89/31/365448931.db2.gz FLFJUPUSRXQCPR-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC1(C)CC[N@H+](CCOCCC#N)CCS1 ZINC000339138644 365450926 /nfs/dbraw/zinc/45/09/26/365450926.db2.gz XININPKWVJJIII-UHFFFAOYSA-N 1 0 242.388 2.134 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000564582516 325797196 /nfs/dbraw/zinc/79/71/96/325797196.db2.gz DVAKJMRZCVBOQS-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H]1CCCOC1)C(C)(C)C ZINC000380255142 366903775 /nfs/dbraw/zinc/90/37/75/366903775.db2.gz QCBGOYSNFCUXHZ-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO C[C@@H](C#N)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193312578 367165722 /nfs/dbraw/zinc/16/57/22/367165722.db2.gz AGMBYRXDNDYBST-LBPRGKRZSA-N 1 0 244.338 2.303 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1nnc(C)o1 ZINC000380358702 367190864 /nfs/dbraw/zinc/19/08/64/367190864.db2.gz XJLQYZWCJQONDQ-VIFPVBQESA-N 1 0 209.293 2.385 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccncc1)C(C)(C)C ZINC000380363715 367192271 /nfs/dbraw/zinc/19/22/71/367192271.db2.gz ZRYAKBCRSGXMGC-LBPRGKRZSA-N 1 0 202.301 2.219 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC=C(C)CC2)nn1 ZINC000580888873 367197521 /nfs/dbraw/zinc/19/75/21/367197521.db2.gz KBAUQEXURDXDMH-GFCCVEGCSA-N 1 0 232.331 2.053 20 30 BEEDRO C[N@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000068765650 370844186 /nfs/dbraw/zinc/84/41/86/370844186.db2.gz RVZKJTWMCKSDAJ-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068765367 370844508 /nfs/dbraw/zinc/84/45/08/370844508.db2.gz QRBBKLLMCAXMRC-LLVKDONJSA-N 1 0 215.300 2.328 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000581009405 367232360 /nfs/dbraw/zinc/23/23/60/367232360.db2.gz LACNXHMZOOCVGF-CYBMUJFWSA-N 1 0 202.301 2.447 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000581072344 367253772 /nfs/dbraw/zinc/25/37/72/367253772.db2.gz XUHOTNZMDZWPKB-RYUDHWBXSA-N 1 0 232.327 2.266 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cn1)C(C)(C)C ZINC000581079917 367257185 /nfs/dbraw/zinc/25/71/85/367257185.db2.gz JPEYPOUAXNTNFV-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(F)c1 ZINC000195000118 367329573 /nfs/dbraw/zinc/32/95/73/367329573.db2.gz WJHFPSSKDCYCNQ-UHFFFAOYSA-N 1 0 223.291 2.460 20 30 BEEDRO C=CC1CC[NH+](CC2(CC(=O)OC)CC2)CC1 ZINC000440708033 201508562 /nfs/dbraw/zinc/50/85/62/201508562.db2.gz AITBNPPPVUVSRW-UHFFFAOYSA-N 1 0 237.343 2.228 20 30 BEEDRO C=C1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000382530945 367533463 /nfs/dbraw/zinc/53/34/63/367533463.db2.gz HKJRCNVKZXAMGO-CHWSQXEVSA-N 1 0 236.359 2.073 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000382599641 367547281 /nfs/dbraw/zinc/54/72/81/367547281.db2.gz QAWHVXHHTPCNSM-MJBXVCDLSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[N@@H+](C)[C@H](C)CC)C1 ZINC000630900713 367599730 /nfs/dbraw/zinc/59/97/30/367599730.db2.gz IGDUDAFTUPDDDC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn(C(C)C)nn1 ZINC000384861866 367745780 /nfs/dbraw/zinc/74/57/80/367745780.db2.gz OMGQDWRASUZTLN-UHFFFAOYSA-N 1 0 222.336 2.161 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000384980572 367768799 /nfs/dbraw/zinc/76/87/99/367768799.db2.gz QSZSNKJONUECQH-UHFFFAOYSA-N 1 0 232.327 2.087 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cccc(OC)n1 ZINC000385258771 367813388 /nfs/dbraw/zinc/81/33/88/367813388.db2.gz YBWQEPLKZNHWLX-UHFFFAOYSA-N 1 0 220.316 2.392 20 30 BEEDRO Cc1[nH+]c2c(n1CCOCCC#N)CCCC2 ZINC000385255672 367813432 /nfs/dbraw/zinc/81/34/32/367813432.db2.gz UAAWOKDCUSBIBJ-UHFFFAOYSA-N 1 0 233.315 2.001 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000581865542 367854944 /nfs/dbraw/zinc/85/49/44/367854944.db2.gz UUKHYAPOZXTBBY-JTQLQIEISA-N 1 0 237.265 2.342 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385741962 367860969 /nfs/dbraw/zinc/86/09/69/367860969.db2.gz BVTFQSQDLUDTHS-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000385614900 367846398 /nfs/dbraw/zinc/84/63/98/367846398.db2.gz FYTVXACCQQOPPF-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C2(C)CC(=C)C2)CC1 ZINC000630941993 368008760 /nfs/dbraw/zinc/00/87/60/368008760.db2.gz HEYHGCMBSRWULY-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000442658160 201580310 /nfs/dbraw/zinc/58/03/10/201580310.db2.gz YXCNOYMJIKEKBG-PWSUYJOCSA-N 1 0 244.294 2.197 20 30 BEEDRO Cc1noc(C)c1CC[NH2+]C[C@H](C)CCC#N ZINC000619568581 368091515 /nfs/dbraw/zinc/09/15/15/368091515.db2.gz ARDRPPICCSLDNW-SNVBAGLBSA-N 1 0 235.331 2.363 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1c2ccccc2C[C@H]1O ZINC000619568586 368091747 /nfs/dbraw/zinc/09/17/47/368091747.db2.gz BKFDZLKKTVFQQG-KCPJHIHWSA-N 1 0 244.338 2.174 20 30 BEEDRO COC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443977802 201604583 /nfs/dbraw/zinc/60/45/83/201604583.db2.gz FEMKRVBNZSMIPR-NSHDSACASA-N 1 0 232.327 2.239 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H](O)C(F)F ZINC000631697630 368240222 /nfs/dbraw/zinc/24/02/22/368240222.db2.gz NUXLGDBSQOTMIE-NXEZZACHSA-N 1 0 221.291 2.337 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@](C)(O)C(C)C)ccc1C#N ZINC000443989586 201606242 /nfs/dbraw/zinc/60/62/42/201606242.db2.gz OVKOXMBSDKFRGB-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000615798598 368321799 /nfs/dbraw/zinc/32/17/99/368321799.db2.gz GRHXAPAXWYMYHX-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC(N)=[NH+]OCCCOc1ccc(F)cc1 ZINC000067385694 368687082 /nfs/dbraw/zinc/68/70/82/368687082.db2.gz MQCRBRWSAYEPRN-UHFFFAOYSA-N 1 0 240.278 2.293 20 30 BEEDRO C=CC(C)(C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000457167698 203011696 /nfs/dbraw/zinc/01/16/96/203011696.db2.gz MQOHDGCYJOLZLX-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)[N@@H+]1CCCN(CCCCC#N)CC1 ZINC000069080859 368744467 /nfs/dbraw/zinc/74/44/67/368744467.db2.gz UFKPBUFLLKFPKX-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000069033600 368744531 /nfs/dbraw/zinc/74/45/31/368744531.db2.gz NGFNTBPQQFOSHB-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO CN1CC[N@H+](CCCC#N)Cc2ccccc21 ZINC000069089507 368745901 /nfs/dbraw/zinc/74/59/01/368745901.db2.gz GEKJFFJAUGBCTC-UHFFFAOYSA-N 1 0 229.327 2.242 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N1C[C@H](C)C[C@H](C)C1 ZINC000073103539 368793910 /nfs/dbraw/zinc/79/39/10/368793910.db2.gz CPYFYBTVVSELQE-TXEJJXNPSA-N 1 0 249.358 2.333 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808732 368953806 /nfs/dbraw/zinc/95/38/06/368953806.db2.gz ATIZROSITUXUNU-FDYHWXHSSA-N 1 0 209.333 2.498 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCc2c[nH]nc2C1 ZINC000618288417 369111502 /nfs/dbraw/zinc/11/15/02/369111502.db2.gz GQWIIOXLXFHYEF-UHFFFAOYSA-N 1 0 246.358 2.488 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC000618741749 369207544 /nfs/dbraw/zinc/20/75/44/369207544.db2.gz IAVHNEIUSNAWAC-QMTHXVAHSA-N 1 0 230.311 2.170 20 30 BEEDRO C=CCCC[NH2+]C1(CC(=O)OC)CCC1 ZINC000459387557 203272119 /nfs/dbraw/zinc/27/21/19/203272119.db2.gz JVDPAKGQFJIBNO-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459311746 203256030 /nfs/dbraw/zinc/25/60/30/203256030.db2.gz SWEVYIADAVBZOW-UHFFFAOYSA-N 1 0 247.342 2.458 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc(C2CC2)nc1 ZINC000459503126 203292324 /nfs/dbraw/zinc/29/23/24/203292324.db2.gz FOFZHHDJTHRQJO-UHFFFAOYSA-N 1 0 217.316 2.362 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000459453554 203283362 /nfs/dbraw/zinc/28/33/62/203283362.db2.gz XPBFSTBFUPOEPA-VLEAKVRGSA-N 1 0 215.362 2.060 20 30 BEEDRO CN(Cc1cncs1)[C@H]1CCC[C@H]1C#N ZINC000400112239 369343500 /nfs/dbraw/zinc/34/35/00/369343500.db2.gz QLPYNRBRYGDYDY-ONGXEEELSA-N 1 0 221.329 2.267 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CC2(C1)CCCOC2 ZINC000459603280 203315409 /nfs/dbraw/zinc/31/54/09/203315409.db2.gz HTJLIHCVMMGRQG-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)(O)C1C[NH+](CC(C)(C)CCC#N)C1 ZINC000459607275 203314351 /nfs/dbraw/zinc/31/43/51/203314351.db2.gz DNUVAKPCCNQMHS-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCc1cccc(Cl)c1 ZINC000459556006 203300170 /nfs/dbraw/zinc/30/01/70/203300170.db2.gz AFGNRSZRGZDCHU-GFCCVEGCSA-N 1 0 225.719 2.019 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000459558248 203300824 /nfs/dbraw/zinc/30/08/24/203300824.db2.gz GALRENDUHXOLJX-GRYCIOLGSA-N 1 0 229.389 2.451 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000301479799 369375432 /nfs/dbraw/zinc/37/54/32/369375432.db2.gz LZUWQCHMFBABEY-LSDHHAIUSA-N 1 0 244.338 2.463 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCc1ccc(Cl)cc1 ZINC000459565627 203304455 /nfs/dbraw/zinc/30/44/55/203304455.db2.gz RJTPBBOLCCNHSE-LBPRGKRZSA-N 1 0 225.719 2.019 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Nc2ccc(C)c(C#N)n2)C1 ZINC000302669683 369395201 /nfs/dbraw/zinc/39/52/01/369395201.db2.gz QYVRCCXVOXZHBA-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO CC(C)(C)[NH2+]CCN1Cc2cccc(C#N)c2C1 ZINC000405089608 369444813 /nfs/dbraw/zinc/44/48/13/369444813.db2.gz RZFCTONGNTZNHG-UHFFFAOYSA-N 1 0 243.354 2.262 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CC2(C#N)CCCC2)CO1 ZINC000405078480 369445030 /nfs/dbraw/zinc/44/50/30/369445030.db2.gz JUDJRKWUIBVTMN-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCCC#N)[C@H](C)CO1 ZINC000403968648 369415734 /nfs/dbraw/zinc/41/57/34/369415734.db2.gz OVVQKHPHPXVQKA-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@@]1([NH2+]Cc2ccc(C#N)c(F)c2)CCOC1 ZINC000404093128 369419749 /nfs/dbraw/zinc/41/97/49/369419749.db2.gz VDUWQMGJWSQDLB-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO N#CCc1ccc(C[N@@H+](CCCO)C2CC2)cc1 ZINC000404207700 369422750 /nfs/dbraw/zinc/42/27/50/369422750.db2.gz CWKPVUOAIOYBQS-UHFFFAOYSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000230352447 369436791 /nfs/dbraw/zinc/43/67/91/369436791.db2.gz HHWUJLQIFAYZQQ-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@H]1CCSC1 ZINC000459683782 203336963 /nfs/dbraw/zinc/33/69/63/203336963.db2.gz BEQOLGOVNVIJAO-SNVBAGLBSA-N 1 0 212.362 2.269 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cn2ccccc2n1 ZINC000459690831 203337847 /nfs/dbraw/zinc/33/78/47/203337847.db2.gz KAJKMDVCBQBQGP-UHFFFAOYSA-N 1 0 242.326 2.364 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000619535116 369467046 /nfs/dbraw/zinc/46/70/46/369467046.db2.gz UKXJHIJHUDHASV-DGCLKSJQSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)n1ccc(C[C@H](C)[NH2+]CC2(C#N)CC2)n1 ZINC000619535012 369467157 /nfs/dbraw/zinc/46/71/57/369467157.db2.gz YBYHQSCKKCQOCH-LBPRGKRZSA-N 1 0 246.358 2.288 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@@H]1COCC ZINC000459716077 203340712 /nfs/dbraw/zinc/34/07/12/203340712.db2.gz PLUDRLJRHSPLML-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000459734745 203346498 /nfs/dbraw/zinc/34/64/98/203346498.db2.gz STDZENKIHIBWLB-MNOVXSKESA-N 1 0 205.305 2.208 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000459765675 203355882 /nfs/dbraw/zinc/35/58/82/203355882.db2.gz VODFHCXDDGEABH-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000459764025 203359902 /nfs/dbraw/zinc/35/99/02/203359902.db2.gz BCOZWOWELJRWTN-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO N#CCCOCC[NH2+]C1(C2CCC2)CCC1 ZINC000459762233 203361542 /nfs/dbraw/zinc/36/15/42/203361542.db2.gz VXBYWGVGOHDPIB-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763305 203361818 /nfs/dbraw/zinc/36/18/18/203361818.db2.gz CCFDHBICWIXDHY-QNWHQSFQSA-N 1 0 217.316 2.208 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C12CCC2 ZINC000459799186 203374374 /nfs/dbraw/zinc/37/43/74/203374374.db2.gz YOEYFQQALMEMTI-OLZOCXBDSA-N 1 0 246.310 2.198 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cccc(C#N)c2)C[C@H]1C ZINC000250394459 369520019 /nfs/dbraw/zinc/52/00/19/369520019.db2.gz YLQMBHXJADEMGU-CYBMUJFWSA-N 1 0 243.354 2.084 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000619673013 369520917 /nfs/dbraw/zinc/52/09/17/369520917.db2.gz BWUWUXAJGSENGU-STQMWFEESA-N 1 0 236.359 2.211 20 30 BEEDRO CCC1(O)CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000619672969 369521509 /nfs/dbraw/zinc/52/15/09/369521509.db2.gz SVHDGQAYQQJKLB-NELGMTEASA-N 1 0 236.359 2.352 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000459802480 203372718 /nfs/dbraw/zinc/37/27/18/203372718.db2.gz YNZBLYYNCZVWFZ-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(C#N)s1 ZINC000165524895 203385175 /nfs/dbraw/zinc/38/51/75/203385175.db2.gz JFYUEEOKSSYPRT-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO CCC[C@@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000619719887 369550188 /nfs/dbraw/zinc/55/01/88/369550188.db2.gz KJISQTKFPLGSTA-KGLIPLIRSA-N 1 0 237.391 2.341 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000619722280 369554088 /nfs/dbraw/zinc/55/40/88/369554088.db2.gz INBHZVDYUQBTIA-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO Cc1ccc(CN[C@](C)(C[NH3+])C(C)C)cc1C#N ZINC000600699447 369558109 /nfs/dbraw/zinc/55/81/09/369558109.db2.gz AMTNFQPDXLIGDH-OAHLLOKOSA-N 1 0 245.370 2.330 20 30 BEEDRO Cc1ccc(CN2CC[C@@H]([NH3+])[C@H](C)C2)cc1C#N ZINC000600699499 369558372 /nfs/dbraw/zinc/55/83/72/369558372.db2.gz ASSCMXPBGXCVQY-IUODEOHRSA-N 1 0 243.354 2.036 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1C#N ZINC000600709659 369559805 /nfs/dbraw/zinc/55/98/05/369559805.db2.gz PHRBBDGULVPNTR-GXTWGEPZSA-N 1 0 243.354 2.036 20 30 BEEDRO Cc1ccc(CN2CC[NH2+][C@H](C)[C@H]2C)cc1C#N ZINC000600707675 369559869 /nfs/dbraw/zinc/55/98/69/369559869.db2.gz ACLZJNFHXGSNLQ-CHWSQXEVSA-N 1 0 243.354 2.049 20 30 BEEDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1F ZINC000600714472 369560050 /nfs/dbraw/zinc/56/00/50/369560050.db2.gz RZTNLFLEJDCJCL-ISTVAULSSA-N 1 0 247.317 2.098 20 30 BEEDRO N#Cc1ccc(CNCc2cocn2)cc1Cl ZINC000619748543 369570756 /nfs/dbraw/zinc/57/07/56/369570756.db2.gz NTKWOLUIKWTOOH-UHFFFAOYSA-N 1 0 247.685 2.489 20 30 BEEDRO N#Cc1ccc(CNCc2ncc[nH]2)cc1Cl ZINC000619748928 369570800 /nfs/dbraw/zinc/57/08/00/369570800.db2.gz STKOROHCLVZEHX-UHFFFAOYSA-N 1 0 246.701 2.225 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602026026 369738107 /nfs/dbraw/zinc/73/81/07/369738107.db2.gz UGXFWYCVXZAINZ-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972148 369730958 /nfs/dbraw/zinc/73/09/58/369730958.db2.gz ITSFSGXVUKDBAJ-DFBGVHRSSA-N 1 0 242.322 2.197 20 30 BEEDRO CC1(C)C[NH2+]CC[C@H](Nc2cnccc2C#N)C1 ZINC000601985422 369732447 /nfs/dbraw/zinc/73/24/47/369732447.db2.gz VRDHAUUIYZXLQJ-LBPRGKRZSA-N 1 0 244.342 2.143 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C[C@H]1CCCCO1 ZINC000602004604 369733651 /nfs/dbraw/zinc/73/36/51/369733651.db2.gz GHZFZQGSIBXHEP-GFCCVEGCSA-N 1 0 248.301 2.356 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1cccc(F)c1C#N ZINC000602011425 369734836 /nfs/dbraw/zinc/73/48/36/369734836.db2.gz LQWDKWLTLOWIEJ-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000602017505 369736291 /nfs/dbraw/zinc/73/62/91/369736291.db2.gz OCKRONBSHUUNJN-DLGQBQFBSA-N 1 0 248.301 2.114 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2Cc3ccccc32)n1 ZINC000602538286 369808596 /nfs/dbraw/zinc/80/85/96/369808596.db2.gz BWMBCZFZICUGDJ-CYBMUJFWSA-N 1 0 249.317 2.383 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)n2)CCCS1 ZINC000602567070 369813685 /nfs/dbraw/zinc/81/36/85/369813685.db2.gz HJMOVEYZYLWLOB-CYBMUJFWSA-N 1 0 247.367 2.329 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)n1)C1CCC1 ZINC000602577789 369816382 /nfs/dbraw/zinc/81/63/82/369816382.db2.gz BGWAOFHTBKAWBZ-SNVBAGLBSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@@H](CSC)[NH2+]Cc1cccc(C#N)n1 ZINC000602582174 369818914 /nfs/dbraw/zinc/81/89/14/369818914.db2.gz LYFNZTZNEQNIQC-JTQLQIEISA-N 1 0 235.356 2.184 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](CC)C1CC1 ZINC000620306914 369824007 /nfs/dbraw/zinc/82/40/07/369824007.db2.gz SITLDPHOIXLDBF-OKILXGFUSA-N 1 0 248.370 2.180 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602638609 369832028 /nfs/dbraw/zinc/83/20/28/369832028.db2.gz RJSJNANJKSNDFB-VXGBXAGGSA-N 1 0 229.327 2.479 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1cccc(F)c1C#N ZINC000602659241 369835670 /nfs/dbraw/zinc/83/56/70/369835670.db2.gz KMFZRQYCSQGPBR-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCSC2)n1 ZINC000602661652 369836754 /nfs/dbraw/zinc/83/67/54/369836754.db2.gz HDMAYOKKBJMUBG-LLVKDONJSA-N 1 0 247.367 2.186 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cccc(C#N)n1)OC ZINC000602675502 369838357 /nfs/dbraw/zinc/83/83/57/369838357.db2.gz UCBUSIVMYIBCFD-RISCZKNCSA-N 1 0 247.342 2.104 20 30 BEEDRO CCC[C@@]1([NH2+]Cc2cccc(C#N)n2)CCOC1 ZINC000602660280 369838414 /nfs/dbraw/zinc/83/84/14/369838414.db2.gz BKCLYVNPJYJDAO-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602430024 369787330 /nfs/dbraw/zinc/78/73/30/369787330.db2.gz UTNVVGWDLPOQIY-NSHDSACASA-N 1 0 215.300 2.328 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC3(CCC3)C2)n1 ZINC000602471370 369792899 /nfs/dbraw/zinc/79/28/99/369792899.db2.gz MOZLJITXZDVADH-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO CC[C@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602484001 369794129 /nfs/dbraw/zinc/79/41/29/369794129.db2.gz KWAXWIHQSIBRAU-NSHDSACASA-N 1 0 215.300 2.185 20 30 BEEDRO CC1(C)CC([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602716480 369846086 /nfs/dbraw/zinc/84/60/86/369846086.db2.gz IQUGMOFCCHNDOK-UHFFFAOYSA-N 1 0 215.300 2.231 20 30 BEEDRO Cc1ccc(CN2CC[C@H]([NH+](C)C)C2)cc1C#N ZINC000602888822 369860026 /nfs/dbraw/zinc/86/00/26/369860026.db2.gz FOYDTGMBNCWMBN-HNNXBMFYSA-N 1 0 243.354 2.003 20 30 BEEDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000602931466 369866467 /nfs/dbraw/zinc/86/64/67/369866467.db2.gz VYZXVWRUFSHGRV-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncccc2C#N)C1(C)C ZINC000603408039 369955653 /nfs/dbraw/zinc/95/56/53/369955653.db2.gz WEBXZUXYJOPWRM-VXGBXAGGSA-N 1 0 244.342 2.094 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000568152559 326313650 /nfs/dbraw/zinc/31/36/50/326313650.db2.gz ADYUPFPHEFQWGP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CC[C@H](CC(C)C)C1 ZINC000307814710 370048298 /nfs/dbraw/zinc/04/82/98/370048298.db2.gz LGBGBEYMJVJXQS-VXGBXAGGSA-N 1 0 225.332 2.082 20 30 BEEDRO CCO[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000074991220 370066036 /nfs/dbraw/zinc/06/60/36/370066036.db2.gz QDEWCHPRKJXVPQ-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307946246 370068194 /nfs/dbraw/zinc/06/81/94/370068194.db2.gz JFGVMQPWZFLATJ-QMMMGPOBSA-N 1 0 225.254 2.102 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307947404 370068358 /nfs/dbraw/zinc/06/83/58/370068358.db2.gz MWIQBDMNIAZEIH-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCO[C@H]1CCCC[C@H]1C ZINC000309757863 370255679 /nfs/dbraw/zinc/25/56/79/370255679.db2.gz LWVCWAOESBDDSL-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1ccnc(C#N)c1 ZINC000309783555 370260810 /nfs/dbraw/zinc/26/08/10/370260810.db2.gz RUFNBYJJXJBHLL-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000309814581 370264531 /nfs/dbraw/zinc/26/45/31/370264531.db2.gz UZYGWOOXYFZEDS-OFTGVCEQSA-N 1 0 222.332 2.224 20 30 BEEDRO C[C@@H]1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000309814582 370264765 /nfs/dbraw/zinc/26/47/65/370264765.db2.gz UZYGWOOXYFZEDS-WISYIIOYSA-N 1 0 222.332 2.224 20 30 BEEDRO COCC#CCN1Cc2ccccc2[C@@H]1C ZINC000621399729 370337835 /nfs/dbraw/zinc/33/78/35/370337835.db2.gz CJURFBDOJXJJIW-LBPRGKRZSA-N 1 0 215.296 2.213 20 30 BEEDRO Cc1nc(C)c(C[NH2+]CC2(CC#N)CC2)o1 ZINC000311843367 370441868 /nfs/dbraw/zinc/44/18/68/370441868.db2.gz NXIXRKMHXCKOHJ-UHFFFAOYSA-N 1 0 219.288 2.075 20 30 BEEDRO CC[C@H](CC#N)NCCOc1ccccc1F ZINC000568367459 326350120 /nfs/dbraw/zinc/35/01/20/326350120.db2.gz ZEKMLIKNSUBCQH-LLVKDONJSA-N 1 0 236.290 2.486 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000568382751 326351740 /nfs/dbraw/zinc/35/17/40/326351740.db2.gz KOXLUXOBYBZGNL-ZDUSSCGKSA-N 1 0 243.391 2.354 20 30 BEEDRO Cc1cc(NC(C)(C)C[NH+](C)C)ncc1C#N ZINC001642763528 1172399132 /nfs/dbraw/zinc/39/91/32/1172399132.db2.gz SIVINAIBQKGEJF-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CC[N@H+](Cc1ccccc1C#N)CC(C)(C)O ZINC000078738696 370595372 /nfs/dbraw/zinc/59/53/72/370595372.db2.gz ZOZCCIRKRYKUCW-UHFFFAOYSA-N 1 0 232.327 2.151 20 30 BEEDRO C[C@@H]1CCCN(Cc2ccccc2C#N)[C@@H]1C[NH3+] ZINC000070177589 371013893 /nfs/dbraw/zinc/01/38/93/371013893.db2.gz AHUUOSGOTCCNLN-IUODEOHRSA-N 1 0 243.354 2.117 20 30 BEEDRO CC[NH+]1CCN([C@H](C)c2ccc(C#N)cc2)CC1 ZINC000118390186 371015399 /nfs/dbraw/zinc/01/53/99/371015399.db2.gz YEVDVNHGDGBELK-CYBMUJFWSA-N 1 0 243.354 2.257 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@H](C)S1 ZINC000070383293 371026687 /nfs/dbraw/zinc/02/66/87/371026687.db2.gz BVDNEPXUJBOIMR-QWRGUYRKSA-N 1 0 247.367 2.279 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000623751459 371081976 /nfs/dbraw/zinc/08/19/76/371081976.db2.gz ZFVJRXLZDCHHAL-OKILXGFUSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623928157 371159401 /nfs/dbraw/zinc/15/94/01/371159401.db2.gz GGNZGQUVWUTKKO-WDEREUQCSA-N 1 0 240.372 2.287 20 30 BEEDRO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000390274237 371190693 /nfs/dbraw/zinc/19/06/93/371190693.db2.gz SMIPMRBUFJOJJJ-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000093965709 371191332 /nfs/dbraw/zinc/19/13/32/371191332.db2.gz XAEONIURKVNUGC-UHFFFAOYSA-N 1 0 200.285 2.400 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C#N)cc1 ZINC000019867684 371195205 /nfs/dbraw/zinc/19/52/05/371195205.db2.gz MSPHNXJCCSSUKE-CQSZACIVSA-N 1 0 229.327 2.454 20 30 BEEDRO CC[N@@H+]1CCCC[C@@H]1CNc1cnccc1C#N ZINC000094157823 371197319 /nfs/dbraw/zinc/19/73/19/371197319.db2.gz IYGFLZNQJVJYRO-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1C#N ZINC001642829651 1172408568 /nfs/dbraw/zinc/40/85/68/1172408568.db2.gz FCEZNPDOBKTYGV-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000624003963 371240411 /nfs/dbraw/zinc/24/04/11/371240411.db2.gz PYCGUPFMJIPSQC-ZOBORPQBSA-N 1 0 239.359 2.125 20 30 BEEDRO CC[C@@H]([NH2+][C@H](C)CCO)c1ccc(C#N)cc1 ZINC000278805570 371242877 /nfs/dbraw/zinc/24/28/77/371242877.db2.gz RNJXKKLIUZHQSK-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)[C@H]1CCCO1 ZINC000624090192 371300735 /nfs/dbraw/zinc/30/07/35/371300735.db2.gz NFXCBVXCZUAHTJ-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000624217816 371406557 /nfs/dbraw/zinc/40/65/57/371406557.db2.gz JMPPLRVAUNDHGI-UHTWSYAYSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000624344152 371489488 /nfs/dbraw/zinc/48/94/88/371489488.db2.gz GPPJDKYNKYFGKI-DGCLKSJQSA-N 1 0 236.359 2.084 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CO)c1ccc(C#N)cc1 ZINC000126361578 371514307 /nfs/dbraw/zinc/51/43/07/371514307.db2.gz VOBZWZLLOXUCDZ-NSHDSACASA-N 1 0 232.327 2.227 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C ZINC000334741027 371519134 /nfs/dbraw/zinc/51/91/34/371519134.db2.gz YDLDWWFIACWYKO-GWCFXTLKSA-N 1 0 234.299 2.008 20 30 BEEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1C#N ZINC000335178655 371530054 /nfs/dbraw/zinc/53/00/54/371530054.db2.gz NOBAMJVVBPXYJH-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000162233367 371636949 /nfs/dbraw/zinc/63/69/49/371636949.db2.gz KNZYKJSTFFHCIR-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C#CC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000132284243 371785845 /nfs/dbraw/zinc/78/58/45/371785845.db2.gz TWWYMXTTZVEUQI-GFCCVEGCSA-N 1 0 205.688 2.030 20 30 BEEDRO CC[C@]1(O)CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000602738270 371836530 /nfs/dbraw/zinc/83/65/30/371836530.db2.gz DEEGHBFPVKBBPT-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@H](O)C(F)F)C1CC1 ZINC000631699709 371843224 /nfs/dbraw/zinc/84/32/24/371843224.db2.gz JYFPFJAZUUWILA-MNOVXSKESA-N 1 0 233.302 2.337 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000132523837 371852468 /nfs/dbraw/zinc/85/24/68/371852468.db2.gz WVBANEZATLTGON-UHFFFAOYSA-N 1 0 218.300 2.133 20 30 BEEDRO C=CCC[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631173170 372217172 /nfs/dbraw/zinc/21/71/72/372217172.db2.gz OARSLFVDEMNVAZ-UHFFFAOYSA-N 1 0 218.300 2.311 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@@H](C)c1ccccc1 ZINC000264118490 168825064 /nfs/dbraw/zinc/82/50/64/168825064.db2.gz QOLWCSGPWKENFS-GFCCVEGCSA-N 1 0 233.359 2.495 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000631574511 372434130 /nfs/dbraw/zinc/43/41/30/372434130.db2.gz AIQBARIHUJRDFE-OLZOCXBDSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631604027 372453139 /nfs/dbraw/zinc/45/31/39/372453139.db2.gz YOQPOTQMFPLGSA-DOMZBBRYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2ncccc21 ZINC000631604030 372453905 /nfs/dbraw/zinc/45/39/05/372453905.db2.gz YOQPOTQMFPLGSA-WFASDCNBSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC000631614445 372462061 /nfs/dbraw/zinc/46/20/61/372462061.db2.gz CFFHKGMIJYKCFM-SWLSCSKDSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631674191 372499941 /nfs/dbraw/zinc/49/99/41/372499941.db2.gz VSAXDCYUSKCGGS-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886427 372682642 /nfs/dbraw/zinc/68/26/42/372682642.db2.gz HBCAXGBUHCIDRL-OLZOCXBDSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H](C)CC ZINC000171949497 372838476 /nfs/dbraw/zinc/83/84/76/372838476.db2.gz FEUWMYFCOPADDS-ZDUSSCGKSA-N 1 0 238.375 2.165 20 30 BEEDRO C=C1CC(C)(C(=O)N(CC)CCC[NH+](C)C)C1 ZINC000632715465 373089336 /nfs/dbraw/zinc/08/93/36/373089336.db2.gz WGBZKUZGYNQDSZ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000449590071 205491923 /nfs/dbraw/zinc/49/19/23/205491923.db2.gz OCFQGWWBSVBXCM-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)C1 ZINC001643169397 1172443331 /nfs/dbraw/zinc/44/33/31/1172443331.db2.gz BPQIGZQBUBLTRZ-XLWJZTARSA-N 1 0 248.370 2.304 20 30 BEEDRO CC(C)OCCC[N@H+](C)Cc1cc(C#N)ccn1 ZINC001643175664 1172443612 /nfs/dbraw/zinc/44/36/12/1172443612.db2.gz SUVWHCUTPLVBGN-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO CC#CC[NH+]1CCC(OCC(C)C)CC1 ZINC000159474366 205557975 /nfs/dbraw/zinc/55/79/75/205557975.db2.gz PHNPAUMFDUSCRV-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676098 373592134 /nfs/dbraw/zinc/59/21/34/373592134.db2.gz XJGXHPJMQWBPAJ-SNVBAGLBSA-N 1 0 233.271 2.029 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CC ZINC000189411292 205863575 /nfs/dbraw/zinc/86/35/75/205863575.db2.gz QUHSFJUTTOZUKX-SRVKXCTJSA-N 1 0 226.364 2.044 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192779544 205965246 /nfs/dbraw/zinc/96/52/46/205965246.db2.gz ATVYIKGVJFEKTN-NEPJUHHUSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)CCOC)C1CC1 ZINC000178691805 206009024 /nfs/dbraw/zinc/00/90/24/206009024.db2.gz KOFHYESTXWHBGC-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)C1CCOCC1 ZINC000179881097 206010062 /nfs/dbraw/zinc/01/00/62/206010062.db2.gz YNOWZPYZKZUWGS-LLVKDONJSA-N 1 0 242.388 2.038 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1 ZINC000184273741 206011638 /nfs/dbraw/zinc/01/16/38/206011638.db2.gz OABBRVZFGDHTOX-GFCCVEGCSA-N 1 0 225.719 2.367 20 30 BEEDRO Cc1cnc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000459735443 206014371 /nfs/dbraw/zinc/01/43/71/206014371.db2.gz SVBKKJKEARVCKR-UHFFFAOYSA-N 1 0 223.345 2.481 20 30 BEEDRO C=CCCN(C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424426582 206041154 /nfs/dbraw/zinc/04/11/54/206041154.db2.gz MTMHROVDSFGGFO-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(CCOC)c1 ZINC000426562365 206052871 /nfs/dbraw/zinc/05/28/71/206052871.db2.gz RRTDNUMIVHQIHG-CQSZACIVSA-N 1 0 249.358 2.070 20 30 BEEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(CCCCC#N)C[C@@H](C)C1 ZINC000429021522 206061023 /nfs/dbraw/zinc/06/10/23/206061023.db2.gz QUEDDWDVHUNZHE-RBSFLKMASA-N 1 0 249.402 2.342 20 30 BEEDRO CC(C)[C@@H](CO)[C@H]([NH2+]CCCC#N)C(C)C ZINC000451594316 206109121 /nfs/dbraw/zinc/10/91/21/206109121.db2.gz DMNFDRFMFRGVGF-CHWSQXEVSA-N 1 0 226.364 2.169 20 30 BEEDRO C=CCOCC[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593386 206108403 /nfs/dbraw/zinc/10/84/03/206108403.db2.gz HQFGDBCMDFGFPH-UONOGXRCSA-N 1 0 243.391 2.068 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592566 206109648 /nfs/dbraw/zinc/10/96/48/206109648.db2.gz CFOBPMQGYVEHDM-UONOGXRCSA-N 1 0 223.360 2.339 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCOC3)C2)C1 ZINC000451910318 206110554 /nfs/dbraw/zinc/11/05/54/206110554.db2.gz MVSKFPQQFMEAIE-MGPQQGTHSA-N 1 0 234.343 2.181 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000165160778 206138971 /nfs/dbraw/zinc/13/89/71/206138971.db2.gz CHNVIGXONRBJQB-UHFFFAOYSA-N 1 0 219.313 2.403 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1SC ZINC000459492921 206132204 /nfs/dbraw/zinc/13/22/04/206132204.db2.gz XJEJCGCMTVLPSA-AXFHLTTASA-N 1 0 242.388 2.035 20 30 BEEDRO Cc1cc(C[NH2+]CC2CCC(C#N)CC2)no1 ZINC000459541600 206133324 /nfs/dbraw/zinc/13/33/24/206133324.db2.gz ZVALGPKPIYIMFR-UHFFFAOYSA-N 1 0 233.315 2.403 20 30 BEEDRO CCCCCCCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC001643604131 1172480163 /nfs/dbraw/zinc/48/01/63/1172480163.db2.gz VCQGXLHIVPKQNR-KBPBESRZSA-N 1 0 243.391 2.165 20 30 BEEDRO C=CCC[C@H]([NH2+]CCNC(=O)C(C)C)C1CC1 ZINC000178671900 134312819 /nfs/dbraw/zinc/31/28/19/134312819.db2.gz MYEWFESZFBBNEZ-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO OC[C@H]([NH2+]CC#Cc1ccccc1)C1CCCC1 ZINC000289505614 183140303 /nfs/dbraw/zinc/14/03/03/183140303.db2.gz LGVZJBMGSWUFBF-INIZCTEOSA-N 1 0 243.350 2.179 20 30 BEEDRO CCC[N@H+](CC)CC(=O)Nc1cccc(C#N)c1 ZINC000037095043 169121220 /nfs/dbraw/zinc/12/12/20/169121220.db2.gz MQPFJCDYIYLIBT-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CCC[N@H+](Cc1ccc(C#N)o1)CC(C)(C)O ZINC000271163976 169175764 /nfs/dbraw/zinc/17/57/64/169175764.db2.gz LYNSYPRIYSWAQR-UHFFFAOYSA-N 1 0 236.315 2.134 20 30 BEEDRO CCCN(c1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071332752 169182719 /nfs/dbraw/zinc/18/27/19/169182719.db2.gz YYJVCJRSBIMSOT-AWEZNQCLSA-N 1 0 229.327 2.137 20 30 BEEDRO CCC[N@@H+]1CCC[C@H]1CNCc1ccc(C#N)o1 ZINC000353131129 169199924 /nfs/dbraw/zinc/19/99/24/169199924.db2.gz ASLJJUSWGQXWEQ-LBPRGKRZSA-N 1 0 247.342 2.115 20 30 BEEDRO N#Cc1cccc(C[N@@H+](CCO)C2CCC2)c1F ZINC000221150200 134317176 /nfs/dbraw/zinc/31/71/76/134317176.db2.gz KDGGRFJSFKTDHM-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CCCCO ZINC000059535957 1172548723 /nfs/dbraw/zinc/54/87/23/1172548723.db2.gz NYNYJVBSBUFMRI-AWEZNQCLSA-N 1 0 245.407 2.460 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC001644645679 1172580513 /nfs/dbraw/zinc/58/05/13/1172580513.db2.gz MMCVQUCPGQQVHH-STQMWFEESA-N 1 0 249.354 2.063 20 30 BEEDRO N#Cc1ccnc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC001644965478 1172623557 /nfs/dbraw/zinc/62/35/57/1172623557.db2.gz PTKFPSDRTTZEBP-CYBMUJFWSA-N 1 0 227.311 2.185 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000185263111 134376098 /nfs/dbraw/zinc/37/60/98/134376098.db2.gz NMKXFQJXXWCGPX-YNEHKIRRSA-N 1 0 241.375 2.105 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000229525821 259640953 /nfs/dbraw/zinc/64/09/53/259640953.db2.gz BHBKCFXDSNJPRV-NSHDSACASA-N 1 0 218.256 2.096 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)c(F)c1)[C@@H]1CCCOC1 ZINC000334427138 383877799 /nfs/dbraw/zinc/87/77/99/383877799.db2.gz ZSYMANPFCWNWGH-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C[NH+]1CCC(Nc2cccc(OCC#N)c2)CC1 ZINC000037069498 383935773 /nfs/dbraw/zinc/93/57/73/383935773.db2.gz IEUZAQJKLIFYTB-UHFFFAOYSA-N 1 0 245.326 2.095 20 30 BEEDRO C[NH+]1CCC(C)(CNc2ncccc2C#N)CC1 ZINC000227307027 383928785 /nfs/dbraw/zinc/92/87/85/383928785.db2.gz HGHMIGSCPHYYCE-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000518527559 383983991 /nfs/dbraw/zinc/98/39/91/383983991.db2.gz BXHQJXGMNTYHMA-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000339527247 383990681 /nfs/dbraw/zinc/99/06/81/383990681.db2.gz OFMCEYSJFCDMCV-HNNXBMFYSA-N 1 0 244.338 2.381 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCC(O)CC2)cc1F ZINC000334676159 383940064 /nfs/dbraw/zinc/94/00/64/383940064.db2.gz SXXBUUHMBOHNBI-UHFFFAOYSA-N 1 0 248.301 2.090 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000116927024 383941862 /nfs/dbraw/zinc/94/18/62/383941862.db2.gz BIBSAOLIOZLOEX-SNVBAGLBSA-N 1 0 221.300 2.455 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCO1 ZINC000334740219 383942582 /nfs/dbraw/zinc/94/25/82/383942582.db2.gz VGWWHRFDUWKIKB-GWCFXTLKSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(F)(F)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449353785 383955152 /nfs/dbraw/zinc/95/51/52/383955152.db2.gz GOSPZEJGSNGUMW-IUCAKERBSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@H](CCO)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449355637 383960662 /nfs/dbraw/zinc/96/06/62/383960662.db2.gz BSUUUJHAODLJKX-HSBZDZAISA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccccc1C ZINC000298846322 384024847 /nfs/dbraw/zinc/02/48/47/384024847.db2.gz JMKZEERATXILSA-CYBMUJFWSA-N 1 0 246.354 2.290 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000560259425 384025431 /nfs/dbraw/zinc/02/54/31/384025431.db2.gz SVJGFWRNSGVOKZ-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449153681 384029354 /nfs/dbraw/zinc/02/93/54/384029354.db2.gz KSFKGYMAIARLBV-RUXDESIVSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1[N@H+](CC2(C#N)CC2)CCC12CCOCC2 ZINC000336526668 384055942 /nfs/dbraw/zinc/05/59/42/384055942.db2.gz MFYULCBFFSHYRT-LBPRGKRZSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(C)oc1C ZINC000278643957 384059724 /nfs/dbraw/zinc/05/97/24/384059724.db2.gz HRMHZIMKVCZMMK-ZYHUDNBSSA-N 1 0 223.316 2.484 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)NCc1ccc(C#N)o1 ZINC000135145950 384065193 /nfs/dbraw/zinc/06/51/93/384065193.db2.gz KJUMDMJWWQCDGI-LBPRGKRZSA-N 1 0 247.342 2.115 20 30 BEEDRO C[C@@H](CNc1cccc(F)c1C#N)C[NH+](C)C ZINC000310189089 384090897 /nfs/dbraw/zinc/09/08/97/384090897.db2.gz YILIJPIBALQTCH-JTQLQIEISA-N 1 0 235.306 2.307 20 30 BEEDRO CNC(NCc1cccc(C(F)(F)F)c1)=[NH+]C ZINC000077754371 384070744 /nfs/dbraw/zinc/07/07/44/384070744.db2.gz VEVDCISXHXUMKJ-UHFFFAOYSA-N 1 0 245.248 2.000 20 30 BEEDRO C=CCC(CC=C)C(=O)NCCC[NH2+]C(C)C ZINC000566199643 384079782 /nfs/dbraw/zinc/07/97/82/384079782.db2.gz YLHBPFGXAUPKIB-UHFFFAOYSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)[C@@H](C)COC ZINC000298914596 384080662 /nfs/dbraw/zinc/08/06/62/384080662.db2.gz NFTZAVOTSPHWER-LBPRGKRZSA-N 1 0 223.316 2.345 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000309520055 384116771 /nfs/dbraw/zinc/11/67/71/384116771.db2.gz BETCVLGFWHLYHT-NDBYEHHHSA-N 1 0 217.316 2.351 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)O)c1ccc(C#N)cc1 ZINC000092801069 384137082 /nfs/dbraw/zinc/13/70/82/384137082.db2.gz APYZYKOGEZYQGY-LLVKDONJSA-N 1 0 232.327 2.370 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H](CO)C2CCCC2)cc1 ZINC000289604805 384150596 /nfs/dbraw/zinc/15/05/96/384150596.db2.gz RTQNTOOXAPDRQV-OAHLLOKOSA-N 1 0 244.338 2.199 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449517429 384151948 /nfs/dbraw/zinc/15/19/48/384151948.db2.gz FPBQYJLHIPWFFY-RVMXOQNASA-N 1 0 220.316 2.002 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1 ZINC000187018158 384152910 /nfs/dbraw/zinc/15/29/10/384152910.db2.gz MOFNXYLOMBNDRQ-RBSFLKMASA-N 1 0 242.322 2.215 20 30 BEEDRO COc1ccc(C[NH2+]CCCCC#N)c(OC)c1 ZINC000071204908 384153272 /nfs/dbraw/zinc/15/32/72/384153272.db2.gz NZLOENWTZDQOCP-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO C#CCC[N@H+](Cc1ccncc1)C1CC1 ZINC000299249991 384155115 /nfs/dbraw/zinc/15/51/15/384155115.db2.gz YMRSRIPDKSDKCZ-UHFFFAOYSA-N 1 0 200.285 2.069 20 30 BEEDRO C#CC[C@H]([NH2+]CC1=NOCC1)c1ccccc1 ZINC001645100798 1172633409 /nfs/dbraw/zinc/63/34/09/1172633409.db2.gz UUNARYVSWDUVNF-AWEZNQCLSA-N 1 0 228.295 2.117 20 30 BEEDRO C#CCCC[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000181832655 533041237 /nfs/dbraw/zinc/04/12/37/533041237.db2.gz JSVMWVQSUDTITH-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000371206153 533042618 /nfs/dbraw/zinc/04/26/18/533042618.db2.gz XHOSWBOTOUOQHB-SWLSCSKDSA-N 1 0 229.323 2.334 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000371206151 533043927 /nfs/dbraw/zinc/04/39/27/533043927.db2.gz XHOSWBOTOUOQHB-IUODEOHRSA-N 1 0 229.323 2.334 20 30 BEEDRO C#CCCNC(=[NH+]CC)N1CC[C@](C)(CC)C1 ZINC000261677547 533045060 /nfs/dbraw/zinc/04/50/60/533045060.db2.gz CUDNMOPXWYYQGK-AWEZNQCLSA-N 1 0 235.375 2.097 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(OC)c1 ZINC000299406806 384206494 /nfs/dbraw/zinc/20/64/94/384206494.db2.gz XZOHZHQIDJGTRX-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@H](C2CCOCC2)C1 ZINC000374370300 384233552 /nfs/dbraw/zinc/23/35/52/384233552.db2.gz WWHFKDBXDCLLPY-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CC[C@H]2C)ccc1C#N ZINC000310348727 384241142 /nfs/dbraw/zinc/24/11/42/384241142.db2.gz GBHPFYVWQZXQCE-MFKMUULPSA-N 1 0 230.311 2.455 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CC[C@@H]2C)ccc1C#N ZINC000310348725 384238970 /nfs/dbraw/zinc/23/89/70/384238970.db2.gz GBHPFYVWQZXQCE-GWCFXTLKSA-N 1 0 230.311 2.455 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H](O)CC ZINC000313150514 384239395 /nfs/dbraw/zinc/23/93/95/384239395.db2.gz LDTBHNKIQSNRGB-NEPJUHHUSA-N 1 0 238.356 2.259 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)O1 ZINC000309416868 384240552 /nfs/dbraw/zinc/24/05/52/384240552.db2.gz JIABTUMONNVBCT-SDDRHHMPSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@]1([NH2+][C@H]2CCC[C@H](C#N)C2)CCCOC1 ZINC000309400457 134399442 /nfs/dbraw/zinc/39/94/42/134399442.db2.gz HHGDEVBGLYWZKA-AVGNSLFASA-N 1 0 222.332 2.227 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2ccsc2)n1 ZINC000336685899 384248919 /nfs/dbraw/zinc/24/89/19/384248919.db2.gz SSPXAETZVWUWHM-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccc(C#N)s1 ZINC000336697470 384254178 /nfs/dbraw/zinc/25/41/78/384254178.db2.gz ZEDGYLOSASNFTH-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CC1CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000173723555 384256615 /nfs/dbraw/zinc/25/66/15/384256615.db2.gz FYNZRDMREWARTK-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153301880 384260900 /nfs/dbraw/zinc/26/09/00/384260900.db2.gz CUEMVRHWWKMKGH-UHFFFAOYSA-N 1 0 230.267 2.192 20 30 BEEDRO COCC1CCC([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000414515700 384262208 /nfs/dbraw/zinc/26/22/08/384262208.db2.gz UYTTUZBLIAOVNM-UHFFFAOYSA-N 1 0 248.326 2.446 20 30 BEEDRO CC#CCN(C)Cc1cnn(-c2ccccc2)c1 ZINC000158641928 384263415 /nfs/dbraw/zinc/26/34/15/384263415.db2.gz JDAPDEQBRMXYLL-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO CC[C@@H](CSC)[NH2+]Cc1nc(C#N)cs1 ZINC000336770253 384271419 /nfs/dbraw/zinc/27/14/19/384271419.db2.gz VLYYVAXDNZTPHX-QMMMGPOBSA-N 1 0 241.385 2.246 20 30 BEEDRO C#CCC[N@@H+]1CCOC2(C1)CCCCCC2 ZINC000362446637 533054064 /nfs/dbraw/zinc/05/40/64/533054064.db2.gz DSYURJRYWJAJAE-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H](O)C(F)F ZINC000449420212 384309885 /nfs/dbraw/zinc/30/98/85/384309885.db2.gz DUYFDENWJPPOCF-CHWFTXMASA-N 1 0 246.301 2.063 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCOC1)C1CCCCC1 ZINC000490677208 384319370 /nfs/dbraw/zinc/31/93/70/384319370.db2.gz KEJCPONOONOGCR-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H]1CSCC[N@@H+]1CCCSCC#N ZINC000173897629 384284474 /nfs/dbraw/zinc/28/44/74/384284474.db2.gz RHKAQWXVHFJQJO-JTQLQIEISA-N 1 0 230.402 2.071 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363334342 384321597 /nfs/dbraw/zinc/32/15/97/384321597.db2.gz XOMHPLHINDGFOF-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C[C@H]1CN(Cc2ccc(C#N)o2)CC2(CCC2)O1 ZINC000335450372 384291796 /nfs/dbraw/zinc/29/17/96/384291796.db2.gz VUMPCYGXLJSEIA-NSHDSACASA-N 1 0 246.310 2.295 20 30 BEEDRO C#CC[N@@H+](CCC)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000490700396 384342389 /nfs/dbraw/zinc/34/23/89/384342389.db2.gz SLXBBHGXCZCXPM-YNEHKIRRSA-N 1 0 221.344 2.145 20 30 BEEDRO CCC[C@H](C)C[N@@H+](CCC#N)CCOC ZINC000070846137 384354613 /nfs/dbraw/zinc/35/46/13/384354613.db2.gz KKXGHFOESDMGPB-LBPRGKRZSA-N 1 0 212.337 2.285 20 30 BEEDRO CC#CCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000134541755 384364313 /nfs/dbraw/zinc/36/43/13/384364313.db2.gz HHXWYYSODQWZQV-UHFFFAOYSA-N 1 0 215.300 2.053 20 30 BEEDRO C=CCC[N@@H+](CC(=O)OCC)C1CCCC1 ZINC000083244131 384366729 /nfs/dbraw/zinc/36/67/29/384366729.db2.gz LDNJTEGAQFGEMD-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)[C@H]1CCCOC1 ZINC000309417869 134403486 /nfs/dbraw/zinc/40/34/86/134403486.db2.gz JMMIRHKFVPANFP-NEPJUHHUSA-N 1 0 242.388 2.038 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccccc1F ZINC000490742269 384370259 /nfs/dbraw/zinc/37/02/59/384370259.db2.gz WEUBBGMQDQFQCB-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000233307096 384326642 /nfs/dbraw/zinc/32/66/42/384326642.db2.gz FUCULRJUNRUXLU-DGCLKSJQSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000308832353 384332436 /nfs/dbraw/zinc/33/24/36/384332436.db2.gz USTUYIQMWHWQFC-NWDGAFQWSA-N 1 0 208.349 2.167 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000045657883 384402337 /nfs/dbraw/zinc/40/23/37/384402337.db2.gz UJNDDHFTDKKKPZ-NWDGAFQWSA-N 1 0 232.327 2.491 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165228625 384404354 /nfs/dbraw/zinc/40/43/54/384404354.db2.gz AQDHZZNVNKZQGP-BXKDBHETSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000235508965 384419798 /nfs/dbraw/zinc/41/97/98/384419798.db2.gz GWDJNNWEUQQEIP-NJZAAPMLSA-N 1 0 244.338 2.370 20 30 BEEDRO C[N@H+](CCNCc1ccc(C#N)o1)C1CCCC1 ZINC000135178213 384421634 /nfs/dbraw/zinc/42/16/34/384421634.db2.gz QNIGNHWLZBKRMV-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO Cc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1C#N ZINC000362954051 384380090 /nfs/dbraw/zinc/38/00/90/384380090.db2.gz GEFHKEJUHYIJAJ-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC(C)=O)cc1 ZINC000490854193 384447200 /nfs/dbraw/zinc/44/72/00/384447200.db2.gz YDOVRYFDFBJZTC-UHFFFAOYSA-N 1 0 231.295 2.067 20 30 BEEDRO C#CC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000490923058 384495065 /nfs/dbraw/zinc/49/50/65/384495065.db2.gz IOUZFNWMCZAPBP-UHFFFAOYSA-N 1 0 248.414 2.454 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccnc1C ZINC000449548877 384511493 /nfs/dbraw/zinc/51/14/93/384511493.db2.gz RMUBAKFUEMLPMC-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000336130687 384507827 /nfs/dbraw/zinc/50/78/27/384507827.db2.gz UYFCDZIBAANHCF-IINYFYTJSA-N 1 0 248.301 2.212 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000378507227 533068517 /nfs/dbraw/zinc/06/85/17/533068517.db2.gz FLEPLKSXZJLFTR-HUUCEWRRSA-N 1 0 229.323 2.377 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C[S@@](C)=O ZINC000449240952 384493635 /nfs/dbraw/zinc/49/36/35/384493635.db2.gz QCHZUHDVUPHUIA-SLEUVZQESA-N 1 0 231.405 2.478 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445584 384534146 /nfs/dbraw/zinc/53/41/46/384534146.db2.gz KBIPTSCXOVPEQP-SRVKXCTJSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@@H](C)[N@H+](C)CC(=O)Nc1nncs1 ZINC000049237704 384523246 /nfs/dbraw/zinc/52/32/46/384523246.db2.gz ZRWSOSWMPZKIIO-MRVPVSSYSA-N 1 0 242.348 2.247 20 30 BEEDRO C[C@H](N[C@@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280218 384529119 /nfs/dbraw/zinc/52/91/19/384529119.db2.gz SMHWFXZHIRKBGJ-XPTSAGLGSA-N 1 0 247.317 2.085 20 30 BEEDRO C=C(C[NH2+]C1CCN(C)CC1)c1ccccc1 ZINC000147651948 384530780 /nfs/dbraw/zinc/53/07/80/384530780.db2.gz LPMVDQLSLTWHSQ-UHFFFAOYSA-N 1 0 230.355 2.384 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1ccc(C#N)cc1 ZINC000423354646 384546362 /nfs/dbraw/zinc/54/63/62/384546362.db2.gz DDNXRTLKOBXOGG-TYNCELHUSA-N 1 0 243.354 2.207 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@@H]1CCc2ccc(C#N)cc21 ZINC000423386436 384551608 /nfs/dbraw/zinc/55/16/08/384551608.db2.gz LFIGLQNXOPWBIJ-IAQYHMDHSA-N 1 0 243.354 2.133 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000423463542 384575290 /nfs/dbraw/zinc/57/52/90/384575290.db2.gz LHOHFEFGEIGQEM-BXKDBHETSA-N 1 0 235.306 2.085 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)CCC(C)(C)C ZINC000309764877 384590751 /nfs/dbraw/zinc/59/07/51/384590751.db2.gz NKJHDXUNFMLHHV-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCC1(CO)CC1 ZINC000449580038 384585455 /nfs/dbraw/zinc/58/54/55/384585455.db2.gz MIEYNORXXXWDJE-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000117878001 384606061 /nfs/dbraw/zinc/60/60/61/384606061.db2.gz FUNUOAZSIHFXFH-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000117873359 384606490 /nfs/dbraw/zinc/60/64/90/384606490.db2.gz PMTGOQUFYYQJDK-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC1CCCCCC1 ZINC000162453847 384623327 /nfs/dbraw/zinc/62/33/27/384623327.db2.gz DDMNHYAJRXLAMK-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO CC(C)O[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000564916612 384601813 /nfs/dbraw/zinc/60/18/13/384601813.db2.gz PVZGZDVKSLVTJU-GFCCVEGCSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C)CC[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000497167583 384602386 /nfs/dbraw/zinc/60/23/86/384602386.db2.gz WNXPAMWGJDIGGS-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000565320118 384635817 /nfs/dbraw/zinc/63/58/17/384635817.db2.gz LUEFIYZXIDQMGK-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO CC#CC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000271750693 384635910 /nfs/dbraw/zinc/63/59/10/384635910.db2.gz YMGIAMCEGNWFPP-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1C ZINC000309836798 384660220 /nfs/dbraw/zinc/66/02/20/384660220.db2.gz BLSHCYINLNTVIM-CYBMUJFWSA-N 1 0 219.328 2.269 20 30 BEEDRO Cc1ncsc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000335913150 384677030 /nfs/dbraw/zinc/67/70/30/384677030.db2.gz CUDAIJCJNIHXRS-NXEZZACHSA-N 1 0 221.329 2.233 20 30 BEEDRO Cc1ncsc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000335913151 384677286 /nfs/dbraw/zinc/67/72/86/384677286.db2.gz CUDAIJCJNIHXRS-UWVGGRQHSA-N 1 0 221.329 2.233 20 30 BEEDRO C[C@H]([NH2+]CCC1CC(O)C1)c1cccc(C#N)c1 ZINC000432409855 384680231 /nfs/dbraw/zinc/68/02/31/384680231.db2.gz JQNNNTVFURTZCQ-BZUNDVKYSA-N 1 0 244.338 2.370 20 30 BEEDRO CC#CC[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000309649045 384685090 /nfs/dbraw/zinc/68/50/90/384685090.db2.gz XCCPCJUVIBZJBE-LBPRGKRZSA-N 1 0 219.332 2.120 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1C#N ZINC000556958005 384686078 /nfs/dbraw/zinc/68/60/78/384686078.db2.gz BFPLPDOHHAEZOU-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(C#N)cc1 ZINC000135306285 384687094 /nfs/dbraw/zinc/68/70/94/384687094.db2.gz FTBDAHOYXKXLDX-MJVIPROJSA-N 1 0 230.311 2.386 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc(C#N)c1F ZINC000300424132 384688072 /nfs/dbraw/zinc/68/80/72/384688072.db2.gz YJJAGPXOAIXQKJ-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(C)C[N@H+](C)CCOc1cccc(C#N)c1 ZINC000171963236 384690006 /nfs/dbraw/zinc/69/00/06/384690006.db2.gz KYAJWICOYNJQNT-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C=C(CC)C[NH2+]CCCNC(=O)OC(C)(C)C ZINC000306390465 384692716 /nfs/dbraw/zinc/69/27/16/384692716.db2.gz WCCKFFZHPJKXGZ-UHFFFAOYSA-N 1 0 242.363 2.457 20 30 BEEDRO C[C@@H]1CC[C@H]([NH+]2CCN(CCC#N)CC2)C[C@H]1C ZINC000601316639 384709603 /nfs/dbraw/zinc/70/96/03/384709603.db2.gz OJRLYBNMXZEZFD-KFWWJZLASA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(C[NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000402372011 384729725 /nfs/dbraw/zinc/72/97/25/384729725.db2.gz YREHPENESSXDTC-GXTWGEPZSA-N 1 0 217.312 2.467 20 30 BEEDRO CC#CCC[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000155696664 384745008 /nfs/dbraw/zinc/74/50/08/384745008.db2.gz BDTXLLZEEWPQBV-HNNXBMFYSA-N 1 0 247.338 2.074 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCC(F)(F)C1 ZINC000491408946 384745490 /nfs/dbraw/zinc/74/54/90/384745490.db2.gz XWFQFCWQFWUODM-UWVGGRQHSA-N 1 0 201.260 2.375 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000518156667 384748826 /nfs/dbraw/zinc/74/88/26/384748826.db2.gz LZJZZLFJFADUGT-QWHCGFSZSA-N 1 0 211.349 2.293 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335990400 384748987 /nfs/dbraw/zinc/74/89/87/384748987.db2.gz CRLQHUJZCRQGTN-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cnn(C)c1 ZINC000044499022 384750783 /nfs/dbraw/zinc/75/07/83/384750783.db2.gz LCKVYPQYMPGRFQ-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1cccc(C#N)c1 ZINC000296625772 384751453 /nfs/dbraw/zinc/75/14/53/384751453.db2.gz XCNKOZXKMSDXMA-KYOSRNDESA-N 1 0 244.338 2.370 20 30 BEEDRO COc1ccc(C[NH+]2CCC(C#N)CC2)cc1 ZINC000070217411 384761967 /nfs/dbraw/zinc/76/19/67/384761967.db2.gz LPSSSBUUPFGSJR-UHFFFAOYSA-N 1 0 230.311 2.431 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1CC=CCC1 ZINC000103338119 384762888 /nfs/dbraw/zinc/76/28/88/384762888.db2.gz HWGKTXDQPQVWFX-GFCCVEGCSA-N 1 0 247.342 2.301 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000648203684 384834885 /nfs/dbraw/zinc/83/48/85/384834885.db2.gz QZAKFJCFIKNPIH-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C[NH2+]C[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000111027214 384795464 /nfs/dbraw/zinc/79/54/64/384795464.db2.gz IFSJYHVVYWPUFN-NSHDSACASA-N 1 0 247.317 2.133 20 30 BEEDRO N#CCN(Cc1ccc(CO)cc1)C1CCCC1 ZINC000163436983 384805212 /nfs/dbraw/zinc/80/52/12/384805212.db2.gz IKHSYKRRQLQEAM-UHFFFAOYSA-N 1 0 244.338 2.447 20 30 BEEDRO COCCCNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000104152670 384805526 /nfs/dbraw/zinc/80/55/26/384805526.db2.gz GDUXYIAHFDZQMZ-UHFFFAOYSA-N 1 0 235.331 2.067 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)C1CC1 ZINC000156146672 384807635 /nfs/dbraw/zinc/80/76/35/384807635.db2.gz DTKMTOUUSHRYRK-UHFFFAOYSA-N 1 0 203.260 2.271 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000398107951 384808263 /nfs/dbraw/zinc/80/82/63/384808263.db2.gz LNJDUNCOYIFNCC-MJBXVCDLSA-N 1 0 240.391 2.088 20 30 BEEDRO CCCC(N)=NOCc1ccc(F)cc1 ZINC000105605210 384874452 /nfs/dbraw/zinc/87/44/52/384874452.db2.gz WDCVGXNOZTXNOE-UHFFFAOYSA-N 1 0 210.252 2.415 20 30 BEEDRO CC(C)n1cc(C[NH2+]CCCCC#N)cn1 ZINC000163976129 384885735 /nfs/dbraw/zinc/88/57/35/384885735.db2.gz YKJXTSBWWZLNFD-UHFFFAOYSA-N 1 0 220.320 2.247 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H]([NH3+])CCC)c1 ZINC000236939964 384843751 /nfs/dbraw/zinc/84/37/51/384843751.db2.gz ALMMSOZYASINHU-ZDUSSCGKSA-N 1 0 248.326 2.317 20 30 BEEDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000335205775 384853187 /nfs/dbraw/zinc/85/31/87/384853187.db2.gz NFTBHAYECWIWJB-AWEZNQCLSA-N 1 0 244.338 2.098 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)C1CCCC1 ZINC000053436434 384859006 /nfs/dbraw/zinc/85/90/06/384859006.db2.gz GREVGOUFUKXIAG-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO COCC1(C[NH+]2CCC(C)(C#N)CC2)CCC1 ZINC000310149918 384860797 /nfs/dbraw/zinc/86/07/97/384860797.db2.gz OTTCHKUFUAADBZ-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@H](C)C(=O)N(C)C ZINC000297807181 384956171 /nfs/dbraw/zinc/95/61/71/384956171.db2.gz IGIRRWPWYVTTMO-CYBMUJFWSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCNC(=O)C(C)C ZINC000193461843 384957839 /nfs/dbraw/zinc/95/78/39/384957839.db2.gz HJIJGHPZGXIIMX-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000449470890 384894619 /nfs/dbraw/zinc/89/46/19/384894619.db2.gz BMVREESQJDQUOD-UPJWGTAASA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C(C)C)C1 ZINC000101910799 384897282 /nfs/dbraw/zinc/89/72/82/384897282.db2.gz MZZNBLHHXAKHQR-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000054764489 384898705 /nfs/dbraw/zinc/89/87/05/384898705.db2.gz ZYUXVBYXNQYUCN-SNVBAGLBSA-N 1 0 226.283 2.132 20 30 BEEDRO C#CC[N@H+](CCc1cn[nH]c1)Cc1ccccc1 ZINC000297725254 384900454 /nfs/dbraw/zinc/90/04/54/384900454.db2.gz SBSKOBQOOJLUNS-UHFFFAOYSA-N 1 0 239.322 2.088 20 30 BEEDRO C=CC[NH2+][C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000152053021 384925045 /nfs/dbraw/zinc/92/50/45/384925045.db2.gz INEIFUGJJAIWTC-YPMHNXCESA-N 1 0 233.311 2.312 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](OC)CC1 ZINC000306419199 384930238 /nfs/dbraw/zinc/93/02/38/384930238.db2.gz VCJDKNWUWYXVNX-JTQLQIEISA-N 1 0 203.713 2.240 20 30 BEEDRO CC(C)[N@H+](C[C@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000178300715 384964657 /nfs/dbraw/zinc/96/46/57/384964657.db2.gz PZQAAKYFSMIMJY-HNNXBMFYSA-N 1 0 244.338 2.464 20 30 BEEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCOCCC#N ZINC000339063495 384969793 /nfs/dbraw/zinc/96/97/93/384969793.db2.gz YHHPWWPXILXBCU-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000167713686 384977887 /nfs/dbraw/zinc/97/78/87/384977887.db2.gz JSNUHBWRNNOODY-RVMXOQNASA-N 1 0 211.349 2.480 20 30 BEEDRO CSCCC[NH2+]Cc1ccc(C#N)s1 ZINC000135501138 384983217 /nfs/dbraw/zinc/98/32/17/384983217.db2.gz JYIFIBSIMNYHOM-UHFFFAOYSA-N 1 0 226.370 2.462 20 30 BEEDRO CC(=O)c1ccc(C#N)c(N[C@@H](C)C[NH+](C)C)c1 ZINC000286479966 384983697 /nfs/dbraw/zinc/98/36/97/384983697.db2.gz QTFKMLNULOJWJK-JTQLQIEISA-N 1 0 245.326 2.123 20 30 BEEDRO C=CCCCn1cc([C@@H]([NH3+])CCC)nn1 ZINC000404490254 385021894 /nfs/dbraw/zinc/02/18/94/385021894.db2.gz RFPCVDMRLJPONZ-JTQLQIEISA-N 1 0 208.309 2.044 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000193567402 384987768 /nfs/dbraw/zinc/98/77/68/384987768.db2.gz YUBPFISSJPNNIZ-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000309977667 384987987 /nfs/dbraw/zinc/98/79/87/384987987.db2.gz UMQLUWOZTNXUGJ-TUAOUCFPSA-N 1 0 225.332 2.272 20 30 BEEDRO Cc1ccnc(N[C@H](C[NH3+])C2CCCC2)c1C#N ZINC000235945285 384988715 /nfs/dbraw/zinc/98/87/15/384988715.db2.gz WLUPGIORRVKICY-CYBMUJFWSA-N 1 0 244.342 2.191 20 30 BEEDRO COCC1([NH2+][C@H](C)c2cccc(C#N)c2)CC1 ZINC000539651245 384993679 /nfs/dbraw/zinc/99/36/79/384993679.db2.gz ZXZWOIIPDQMXCT-LLVKDONJSA-N 1 0 230.311 2.388 20 30 BEEDRO C[NH2+][C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000116942803 385050213 /nfs/dbraw/zinc/05/02/13/385050213.db2.gz UQUNMVJTCQHJIT-LLVKDONJSA-N 1 0 235.718 2.010 20 30 BEEDRO C=CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647207422 385051923 /nfs/dbraw/zinc/05/19/23/385051923.db2.gz ROUBXIZQWFKNMS-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO COC1(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000340440135 385061252 /nfs/dbraw/zinc/06/12/52/385061252.db2.gz GHZVUJYQXRTYIG-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CSCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308763508 385084313 /nfs/dbraw/zinc/08/43/13/385084313.db2.gz ZGOBOMRYVGWYKE-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO C=C(C)C[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000339732606 385026436 /nfs/dbraw/zinc/02/64/36/385026436.db2.gz ZZHLBDANRRDJQH-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO Cn1cc(C[NH2+]C[C@H]2CC2(C)C)cc1C#N ZINC000236082843 385027855 /nfs/dbraw/zinc/02/78/55/385027855.db2.gz OKWZOUJABQPNRK-LLVKDONJSA-N 1 0 217.316 2.032 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000135509417 385031388 /nfs/dbraw/zinc/03/13/88/385031388.db2.gz BETUWSOCHDYRDD-QWRGUYRKSA-N 1 0 218.300 2.071 20 30 BEEDRO C[NH+](C)CCCNc1nc(Cl)c(C#N)s1 ZINC000234226947 385046514 /nfs/dbraw/zinc/04/65/14/385046514.db2.gz USZZTJUWQOWNHS-UHFFFAOYSA-N 1 0 244.751 2.032 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000341455340 385108302 /nfs/dbraw/zinc/10/83/02/385108302.db2.gz ICFWMIDZWNQOEQ-ZDUSSCGKSA-N 1 0 232.327 2.230 20 30 BEEDRO CCC1(C[NH2+]Cc2cccc(C#N)c2)COC1 ZINC000343272467 385109630 /nfs/dbraw/zinc/10/96/30/385109630.db2.gz UNOSDTUCBMNMJB-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO C[C@@H](CNc1ncccc1C#N)C[NH+]1CCCC1 ZINC000058003226 385114787 /nfs/dbraw/zinc/11/47/87/385114787.db2.gz SUABRRSUARWRDA-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO COCC#CC[N@H+](C)Cc1cccc(C)c1C ZINC000644704810 385121161 /nfs/dbraw/zinc/12/11/61/385121161.db2.gz TZIVJFTUIUBQAR-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000304352691 385122680 /nfs/dbraw/zinc/12/26/80/385122680.db2.gz VXEDZKWWUHWUBS-JTQLQIEISA-N 1 0 236.315 2.038 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000157188750 385100090 /nfs/dbraw/zinc/10/00/90/385100090.db2.gz XRHVZKGCYCWJFR-LBPRGKRZSA-N 1 0 239.322 2.465 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1c(F)cc(C)cc1F ZINC000643770602 385182680 /nfs/dbraw/zinc/18/26/80/385182680.db2.gz UUVMJPFBDSQCIP-JTQLQIEISA-N 1 0 241.281 2.300 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1c(F)cc(C)cc1F ZINC000643770603 385183298 /nfs/dbraw/zinc/18/32/98/385183298.db2.gz UUVMJPFBDSQCIP-SNVBAGLBSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCC12CCOCC2 ZINC000306758398 385188028 /nfs/dbraw/zinc/18/80/28/385188028.db2.gz OIDFIMZVHBFIHP-SNVBAGLBSA-N 1 0 215.724 2.288 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000648323566 385188802 /nfs/dbraw/zinc/18/88/02/385188802.db2.gz WDZMLFWAADCKEC-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000309190433 385200144 /nfs/dbraw/zinc/20/01/44/385200144.db2.gz IIIFFWVNABOSIV-UTLUCORTSA-N 1 0 235.249 2.098 20 30 BEEDRO C=CC[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000304749006 385151685 /nfs/dbraw/zinc/15/16/85/385151685.db2.gz WLZBRORVKIWFKE-YPMHNXCESA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157414294 385171110 /nfs/dbraw/zinc/17/11/10/385171110.db2.gz AGDFCDHOJBSZIQ-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000559872267 385206304 /nfs/dbraw/zinc/20/63/04/385206304.db2.gz SZTRZGGXTGYYAY-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000189597488 385219894 /nfs/dbraw/zinc/21/98/94/385219894.db2.gz YBCIBOMYIGLTCC-SNVBAGLBSA-N 1 0 219.332 2.421 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000130157956 385225219 /nfs/dbraw/zinc/22/52/19/385225219.db2.gz RYRPFGLTPFDOIR-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000343720415 385228342 /nfs/dbraw/zinc/22/83/42/385228342.db2.gz PUSYLUMSRKOHEI-SMDDNHRTSA-N 1 0 244.338 2.127 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CC)C(=O)NC ZINC000449782979 385233933 /nfs/dbraw/zinc/23/39/33/385233933.db2.gz ZLJCWQCJWCXFQQ-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1([S@@](C)=O)CC1 ZINC000308895024 385247571 /nfs/dbraw/zinc/24/75/71/385247571.db2.gz ZAIRFGPNUDPXOG-FIXISWKDSA-N 1 0 229.389 2.088 20 30 BEEDRO CC#CCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000357595874 385253130 /nfs/dbraw/zinc/25/31/30/385253130.db2.gz NIYYHYUHKVNPMD-KKUMJFAQSA-N 1 0 234.387 2.347 20 30 BEEDRO CC[C@@H](COC)[NH2+]CCc1cccc(C#N)c1 ZINC000343600206 385253781 /nfs/dbraw/zinc/25/37/81/385253781.db2.gz LXVGFFVGVVPAAC-AWEZNQCLSA-N 1 0 232.327 2.115 20 30 BEEDRO C=C(C)CNC(=O)Nc1ccc(C)nc1C ZINC000157573997 385202937 /nfs/dbraw/zinc/20/29/37/385202937.db2.gz YIMVCRDDSQUABW-UHFFFAOYSA-N 1 0 219.288 2.396 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000157919377 385310358 /nfs/dbraw/zinc/31/03/58/385310358.db2.gz XQNBEKXDPZBPIN-AWEZNQCLSA-N 1 0 214.312 2.196 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000334152262 385314172 /nfs/dbraw/zinc/31/41/72/385314172.db2.gz VOWBAASAXURCDW-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000336371001 385282091 /nfs/dbraw/zinc/28/20/91/385282091.db2.gz YGZKBTWWILSMIN-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000448278468 385287425 /nfs/dbraw/zinc/28/74/25/385287425.db2.gz MFKJYHAIAINDOO-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000448278469 385289081 /nfs/dbraw/zinc/28/90/81/385289081.db2.gz MFKJYHAIAINDOO-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCC12CCC2 ZINC000308942865 385299962 /nfs/dbraw/zinc/29/99/62/385299962.db2.gz QZIKRNUQGUKEJC-VXGBXAGGSA-N 1 0 209.333 2.093 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cscn1 ZINC000280549728 385333277 /nfs/dbraw/zinc/33/32/77/385333277.db2.gz DQLLCAQHXJZROA-CMPLNLGQSA-N 1 0 238.356 2.214 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000280647267 385347069 /nfs/dbraw/zinc/34/70/69/385347069.db2.gz NWRWQHFCZFDCLH-OLZOCXBDSA-N 1 0 220.316 2.086 20 30 BEEDRO CC(C)[N@H+](C)CCCNc1ncccc1C#N ZINC000221680444 385356751 /nfs/dbraw/zinc/35/67/51/385356751.db2.gz HBJSZHWHLMYQMS-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000158159974 385358012 /nfs/dbraw/zinc/35/80/12/385358012.db2.gz RAWRGSAGUSIWQY-DGCLKSJQSA-N 1 0 232.327 2.157 20 30 BEEDRO CO[C@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000158201829 385366068 /nfs/dbraw/zinc/36/60/68/385366068.db2.gz LMCNRFZVCWWYAT-HNNXBMFYSA-N 1 0 247.313 2.288 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000309018169 385373739 /nfs/dbraw/zinc/37/37/39/385373739.db2.gz VLPLNECNBRGJTI-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCOc1cccc(C[NH2+]CCF)c1 ZINC000280828333 385375542 /nfs/dbraw/zinc/37/55/42/385375542.db2.gz WKPMJZBOLWJMIQ-UHFFFAOYSA-N 1 0 209.264 2.311 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccnn1C(C)C ZINC000280951997 385383905 /nfs/dbraw/zinc/38/39/05/385383905.db2.gz RSMOZJFRZIXNGZ-UHFFFAOYSA-N 1 0 239.388 2.473 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC000280928252 385384637 /nfs/dbraw/zinc/38/46/37/385384637.db2.gz FGTKHIIPDIIRSR-NSHDSACASA-N 1 0 221.275 2.319 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000308984167 385325618 /nfs/dbraw/zinc/32/56/18/385325618.db2.gz JCPXIWYUVHUGTQ-JTQLQIEISA-N 1 0 207.321 2.345 20 30 BEEDRO COC1(C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000181080864 385402774 /nfs/dbraw/zinc/40/27/74/385402774.db2.gz PACPSZWPUAKIBD-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000170911318 385454351 /nfs/dbraw/zinc/45/43/51/385454351.db2.gz GSKZAYCJRKKZRR-QWHCGFSZSA-N 1 0 247.317 2.162 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccc(C(C)(C)C)cc1 ZINC000170910822 385454546 /nfs/dbraw/zinc/45/45/46/385454546.db2.gz JNGVRKUCUFEBNN-UHFFFAOYSA-N 1 0 233.359 2.360 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])N(C)C)c1ccccc1 ZINC000170907688 385454597 /nfs/dbraw/zinc/45/45/97/385454597.db2.gz UFEUTJBIYZVYJN-NSHDSACASA-N 1 0 219.332 2.057 20 30 BEEDRO COC[C@H](C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000170910873 385455134 /nfs/dbraw/zinc/45/51/34/385455134.db2.gz NLYSUVDZJDVPBL-SNVBAGLBSA-N 1 0 249.358 2.313 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000170911142 385455146 /nfs/dbraw/zinc/45/51/46/385455146.db2.gz VKAZAQCOSNWPOO-NWDGAFQWSA-N 1 0 249.333 2.384 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccn1 ZINC000170912235 385456133 /nfs/dbraw/zinc/45/61/33/385456133.db2.gz DWDHUZIZKIOSTJ-TUAOUCFPSA-N 1 0 244.342 2.244 20 30 BEEDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000341253995 385471857 /nfs/dbraw/zinc/47/18/57/385471857.db2.gz DLWCAGNEUUJQLW-GWCFXTLKSA-N 1 0 234.299 2.056 20 30 BEEDRO COc1cc(C[NH2+]CC2(F)CC2)ccc1C#N ZINC000564131539 385517887 /nfs/dbraw/zinc/51/78/87/385517887.db2.gz CSOKSINIEBZFDD-UHFFFAOYSA-N 1 0 234.274 2.159 20 30 BEEDRO COC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000590643479 385504713 /nfs/dbraw/zinc/50/47/13/385504713.db2.gz RLILYVWTEUWFSL-UNXYVOJBSA-N 1 0 210.321 2.083 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)o1)C1CCC(CO)CC1 ZINC000290637581 385505638 /nfs/dbraw/zinc/50/56/38/385505638.db2.gz YJDXHBXRLDTSHX-UHFFFAOYSA-N 1 0 248.326 2.134 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1(CO)CCC1 ZINC000183231729 385514400 /nfs/dbraw/zinc/51/44/00/385514400.db2.gz LRDBICOKAAEYQW-RYUDHWBXSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000172338357 385530987 /nfs/dbraw/zinc/53/09/87/385530987.db2.gz TVMBYGLIZZCFLL-SNVBAGLBSA-N 1 0 240.310 2.094 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)O1 ZINC000309416866 385575101 /nfs/dbraw/zinc/57/51/01/385575101.db2.gz JIABTUMONNVBCT-IJLUTSLNSA-N 1 0 222.332 2.226 20 30 BEEDRO CCc1cccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592152766 385567450 /nfs/dbraw/zinc/56/74/50/385567450.db2.gz CWEIKZNLHXCWFC-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO CC[C@H](c1ccccc1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152637 385567457 /nfs/dbraw/zinc/56/74/57/385567457.db2.gz ZGIUDWYJUKRYST-HUUCEWRRSA-N 1 0 244.338 2.488 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)NCC1CCCCC1 ZINC000181299872 385569936 /nfs/dbraw/zinc/56/99/36/385569936.db2.gz HRTZJILIHSQPHX-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309471958 385600978 /nfs/dbraw/zinc/60/09/78/385600978.db2.gz QVZXAFFQJJXIQL-QJPTWQEYSA-N 1 0 224.348 2.472 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H](CO)c1ccsc1 ZINC000336649392 385592547 /nfs/dbraw/zinc/59/25/47/385592547.db2.gz DEIFHFMPUIGNJW-NSHDSACASA-N 1 0 238.356 2.311 20 30 BEEDRO CC(C)CCOCCN(C)[C@H](C)CC#N ZINC000063095417 385592934 /nfs/dbraw/zinc/59/29/34/385592934.db2.gz YYKZIKFACBAYPQ-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000309498160 385623398 /nfs/dbraw/zinc/62/33/98/385623398.db2.gz KTVDYDOFQONBKZ-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC[C@H]1OCC ZINC000309499418 385623598 /nfs/dbraw/zinc/62/35/98/385623598.db2.gz ZHRLPRXSERMYDV-RWMBFGLXSA-N 1 0 227.348 2.125 20 30 BEEDRO C#C[C@H]1COCCN1Cc1cc(C)sc1C ZINC000491711307 385624902 /nfs/dbraw/zinc/62/49/02/385624902.db2.gz UGIUHCSKENJOCH-ZDUSSCGKSA-N 1 0 235.352 2.199 20 30 BEEDRO C#CC[N@H+](CCOCCC#N)Cc1ccccc1 ZINC000293539369 533134130 /nfs/dbraw/zinc/13/41/30/533134130.db2.gz KBWHSBZRABSWMJ-UHFFFAOYSA-N 1 0 242.322 2.052 20 30 BEEDRO C[C@]1(C2CC2)C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000595625032 385635598 /nfs/dbraw/zinc/63/55/98/385635598.db2.gz JJNZYFASGJWPAU-KWCYVHTRSA-N 1 0 234.343 2.180 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)c1ccccc1C ZINC000645197717 385609654 /nfs/dbraw/zinc/60/96/54/385609654.db2.gz YPCHJQPSJUKGEC-UHFFFAOYSA-N 1 0 231.339 2.470 20 30 BEEDRO CC(C)COCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336682593 385642083 /nfs/dbraw/zinc/64/20/83/385642083.db2.gz RYNZLPGUYWDRAO-OLZOCXBDSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000309540428 385674370 /nfs/dbraw/zinc/67/43/70/385674370.db2.gz FSZCPVHORIXFOK-GMXVVIOVSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)C1CCCC1 ZINC000184669047 385688684 /nfs/dbraw/zinc/68/86/84/385688684.db2.gz WAGHREGVQJHWLE-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H](CNc1ccc(F)cc1C#N)C[NH+](C)C ZINC000291784778 385698365 /nfs/dbraw/zinc/69/83/65/385698365.db2.gz IIGUUCRNOBVGFF-JTQLQIEISA-N 1 0 235.306 2.307 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC1CC(O)C1)C1CC1 ZINC000309570654 385700562 /nfs/dbraw/zinc/70/05/62/385700562.db2.gz MUIQWGJZXJIBRO-UBHUBRDASA-N 1 0 223.360 2.482 20 30 BEEDRO C#CC[N@@H+](C[C@H](CC)OC)C1CCCC1 ZINC000491729816 385703405 /nfs/dbraw/zinc/70/34/05/385703405.db2.gz ODVCQMLBKMWELS-ZDUSSCGKSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCC12CCCC2 ZINC000336688969 385713141 /nfs/dbraw/zinc/71/31/41/385713141.db2.gz VFOLWKHFTKOUHG-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C#CCNC(=[NH+]CC)N1CCC(CC)(CC)C1 ZINC000261779388 533141559 /nfs/dbraw/zinc/14/15/59/533141559.db2.gz PBYPZJNISYPADL-UHFFFAOYSA-N 1 0 235.375 2.097 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000320188212 385667500 /nfs/dbraw/zinc/66/75/00/385667500.db2.gz FXJWGCMVHHRYCQ-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO C#C[C@@H]1COCCN1Cc1ccccc1SC ZINC000491734097 385730731 /nfs/dbraw/zinc/73/07/31/385730731.db2.gz SHQIVHHGQRLDNR-CYBMUJFWSA-N 1 0 247.363 2.243 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000186713071 385785728 /nfs/dbraw/zinc/78/57/28/385785728.db2.gz YVKQNYOOFYFYQB-KOLCDFICSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1 ZINC000186710176 385785804 /nfs/dbraw/zinc/78/58/04/385785804.db2.gz DRJXRVMSFOMHGR-YPMHNXCESA-N 1 0 205.301 2.274 20 30 BEEDRO CCCCOCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185802168 385740340 /nfs/dbraw/zinc/74/03/40/385740340.db2.gz RIDGABJEVCZBJT-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO CC#CCC[NH2+]Cc1c(C)nn(CC)c1C ZINC000309674109 385786621 /nfs/dbraw/zinc/78/66/21/385786621.db2.gz XBHFUEZGUVOMCI-UHFFFAOYSA-N 1 0 219.332 2.023 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CC[C@@H](C)O1)C1CCCC1 ZINC000188563161 385769566 /nfs/dbraw/zinc/76/95/66/385769566.db2.gz BJLFJJZZUZYKOM-OCCSQVGLSA-N 1 0 221.344 2.432 20 30 BEEDRO Cc1cc(C[NH2+]C(C)(C)CN(C)C)ccc1C#N ZINC000453625317 385771945 /nfs/dbraw/zinc/77/19/45/385771945.db2.gz ROSBSDQEQDPNTO-UHFFFAOYSA-N 1 0 245.370 2.297 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000309674476 385781148 /nfs/dbraw/zinc/78/11/48/385781148.db2.gz LGEMSBZXFGUPNT-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000186698438 385782516 /nfs/dbraw/zinc/78/25/16/385782516.db2.gz UPEOLIZJUHLOCI-BXUZGUMPSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000186713089 385783410 /nfs/dbraw/zinc/78/34/10/385783410.db2.gz YVKQNYOOFYFYQB-GXSJLCMTSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000186713060 385784258 /nfs/dbraw/zinc/78/42/58/385784258.db2.gz YVKQNYOOFYFYQB-ONGXEEELSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccnc1Cl ZINC000186709407 385784544 /nfs/dbraw/zinc/78/45/44/385784544.db2.gz RQNPDBJPMJCFAB-ZJUUUORDSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000186712705 385784916 /nfs/dbraw/zinc/78/49/16/385784916.db2.gz YGEXNGFIIHGKBC-SWLSCSKDSA-N 1 0 247.338 2.209 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)ccc1C#N ZINC000397858700 385719363 /nfs/dbraw/zinc/71/93/63/385719363.db2.gz DEFXFYWJHOPVKV-BTTYYORXSA-N 1 0 242.322 2.455 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCO2)C1 ZINC000336689902 385720388 /nfs/dbraw/zinc/72/03/88/385720388.db2.gz KFVZDIPHEWHBLH-UPJWGTAASA-N 1 0 222.332 2.227 20 30 BEEDRO C[NH+](C)C1(CNc2ccc(F)cc2C#N)CC1 ZINC000397870242 385722451 /nfs/dbraw/zinc/72/24/51/385722451.db2.gz FOIVLEFZHBFGFP-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccn(C(F)F)n1 ZINC000309592466 385722981 /nfs/dbraw/zinc/72/29/81/385722981.db2.gz SRRUFPOWDMAEKG-UHFFFAOYSA-N 1 0 228.246 2.062 20 30 BEEDRO COC1(CC[N@H+](C)C[C@H](C)C#N)CCC1 ZINC000336654343 385726160 /nfs/dbraw/zinc/72/61/60/385726160.db2.gz GUVYSCDJNIGPQM-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000521428397 385818274 /nfs/dbraw/zinc/81/82/74/385818274.db2.gz QGXYSEDAZBRDHT-UKRRQHHQSA-N 1 0 231.339 2.154 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOC[C@H]2C2CCC2)CC1 ZINC000602852394 385826270 /nfs/dbraw/zinc/82/62/70/385826270.db2.gz QKBSBMJUBFCNGS-ZDUSSCGKSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000414568245 385826458 /nfs/dbraw/zinc/82/64/58/385826458.db2.gz YLIPAUIVFNOYKT-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000451421345 385827708 /nfs/dbraw/zinc/82/77/08/385827708.db2.gz BIHZSFDFVBYHQI-GFCCVEGCSA-N 1 0 233.302 2.435 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccnc(C#N)c1 ZINC000291137368 385841547 /nfs/dbraw/zinc/84/15/47/385841547.db2.gz NPAGBTARZRHJGA-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CSc1cc(C)ccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262679475 385872016 /nfs/dbraw/zinc/87/20/16/385872016.db2.gz VMCOKRNXCXBYIY-SNVBAGLBSA-N 1 0 249.383 2.154 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414134532 385980739 /nfs/dbraw/zinc/98/07/39/385980739.db2.gz GUAYAHDTWRVOOE-BZPMIXESSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414134534 385982464 /nfs/dbraw/zinc/98/24/64/385982464.db2.gz GUAYAHDTWRVOOE-OBJOEFQTSA-N 1 0 249.358 2.052 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414097722 385961755 /nfs/dbraw/zinc/96/17/55/385961755.db2.gz PQPBGCTWSUODJC-QWRGUYRKSA-N 1 0 219.332 2.445 20 30 BEEDRO CC(=O)Nc1ccc(C[NH2+]CCCC#N)cc1 ZINC000273078355 385965730 /nfs/dbraw/zinc/96/57/30/385965730.db2.gz QAPRVJQJNDSGTG-UHFFFAOYSA-N 1 0 231.299 2.038 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc(F)c1F ZINC000273107900 385968338 /nfs/dbraw/zinc/96/83/38/385968338.db2.gz WVYXURVJQOBXRX-UHFFFAOYSA-N 1 0 210.227 2.358 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](OC)C2CC2)CC1 ZINC000425408208 385970934 /nfs/dbraw/zinc/97/09/34/385970934.db2.gz STKCYWRCZPHFJE-CYBMUJFWSA-N 1 0 209.333 2.309 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)CC(C)(C)CO ZINC000295262483 386002526 /nfs/dbraw/zinc/00/25/26/386002526.db2.gz RMCWZXLHWOFFQH-UHFFFAOYSA-N 1 0 249.329 2.128 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414154310 386004854 /nfs/dbraw/zinc/00/48/54/386004854.db2.gz SBCJDHSRLOCFEA-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCC(F)(F)c1nc(C2([NH3+])CCC2)no1 ZINC000414630773 386004965 /nfs/dbraw/zinc/00/49/65/386004965.db2.gz VGHIRCGXPWGWMZ-UHFFFAOYSA-N 1 0 229.230 2.075 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414117221 386010130 /nfs/dbraw/zinc/01/01/30/386010130.db2.gz RUXIQIXGFGJKOI-QWRGUYRKSA-N 1 0 220.316 2.185 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cn[nH]c1 ZINC000414171800 386015606 /nfs/dbraw/zinc/01/56/06/386015606.db2.gz VHNWQBLHQOBQDG-VIFPVBQESA-N 1 0 206.293 2.000 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414171205 386016406 /nfs/dbraw/zinc/01/64/06/386016406.db2.gz XBLUVXQVKLFCGW-GRYCIOLGSA-N 1 0 241.375 2.105 20 30 BEEDRO C=CCOc1ccc(CNC[C@@H]([NH3+])CC)cc1 ZINC000414975842 386020311 /nfs/dbraw/zinc/02/03/11/386020311.db2.gz HFMOKSLUYVQOII-ZDUSSCGKSA-N 1 0 234.343 2.078 20 30 BEEDRO C=C(C)C[C@@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414642092 386043150 /nfs/dbraw/zinc/04/31/50/386043150.db2.gz JFLOVVQSNLCSAX-ZJUUUORDSA-N 1 0 223.320 2.290 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cnn(C)c1 ZINC000414161006 386045115 /nfs/dbraw/zinc/04/51/15/386045115.db2.gz DVQFBLMJUVLTBT-JTQLQIEISA-N 1 0 220.320 2.011 20 30 BEEDRO CCn1ccnc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414160679 386045662 /nfs/dbraw/zinc/04/56/62/386045662.db2.gz DIFPVENCDMHBCR-LLVKDONJSA-N 1 0 234.347 2.493 20 30 BEEDRO CO[C@H](C)CN1CCCC(C)(C)[C@@H]1C#N ZINC000334454111 386103465 /nfs/dbraw/zinc/10/34/65/386103465.db2.gz UYFHXMJIFPPJLS-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](O)C(C)C ZINC000414298468 386106337 /nfs/dbraw/zinc/10/63/37/386106337.db2.gz QJMMTTMLSDYATI-CRWXNKLISA-N 1 0 238.375 2.454 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000190952682 386106478 /nfs/dbraw/zinc/10/64/78/386106478.db2.gz KUPCIWNKHHSIKJ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H](C)O1 ZINC000414263609 386083927 /nfs/dbraw/zinc/08/39/27/386083927.db2.gz PJTMGQMDSNMMKO-RKQHYHRCSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H](C)O1 ZINC000414266246 386086528 /nfs/dbraw/zinc/08/65/28/386086528.db2.gz RTIIYYUFOFMZEF-UJPOAAIJSA-N 1 0 222.332 2.082 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)C1 ZINC000414351726 386154540 /nfs/dbraw/zinc/15/45/40/386154540.db2.gz SBRFHDMWRRNOOA-IRCOFANPSA-N 1 0 216.284 2.417 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415913090 386161270 /nfs/dbraw/zinc/16/12/70/386161270.db2.gz OSFLZHRQDQTIID-JTQLQIEISA-N 1 0 233.315 2.102 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1 ZINC000320294260 386162551 /nfs/dbraw/zinc/16/25/51/386162551.db2.gz RIFXICCMOMDIIP-NSHDSACASA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1(CCO)CC1 ZINC000188071181 386168073 /nfs/dbraw/zinc/16/80/73/386168073.db2.gz IKVIHVMHSUSFHG-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(CCO)CC1 ZINC000188076796 386170366 /nfs/dbraw/zinc/17/03/66/386170366.db2.gz OUIBHVWZRPNERJ-NEPJUHHUSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCN(C)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415937178 386173449 /nfs/dbraw/zinc/17/34/49/386173449.db2.gz XVGKLOOPVJIDNV-UHFFFAOYSA-N 1 0 247.342 2.446 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994129 386177916 /nfs/dbraw/zinc/17/79/16/386177916.db2.gz GYWVZYGSVVPHGZ-SNVBAGLBSA-N 1 0 245.326 2.376 20 30 BEEDRO C=CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416021623 386188570 /nfs/dbraw/zinc/18/85/70/386188570.db2.gz YQJUYFKEADDIHJ-UHFFFAOYSA-N 1 0 245.326 2.330 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCCS(=O)(=O)CC ZINC000414341856 386133073 /nfs/dbraw/zinc/13/30/73/386133073.db2.gz ORMRAOCHLAEENC-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C ZINC000414343235 386133311 /nfs/dbraw/zinc/13/33/11/386133311.db2.gz NCPPXJXQZAZFFV-QJPTWQEYSA-N 1 0 226.364 2.090 20 30 BEEDRO C=CC1CC[NH+](Cc2cnccc2OC)CC1 ZINC000347056698 386208144 /nfs/dbraw/zinc/20/81/44/386208144.db2.gz OYNYODLDDRLRDT-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO C[C@@H](CO)[N@H+](CCC(C)(C)C#N)CC1CCC1 ZINC000347067865 386212279 /nfs/dbraw/zinc/21/22/79/386212279.db2.gz BLTNPIZLMRDHFH-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCOc1cccc(CN2CCC[C@@H]2C[NH3+])c1 ZINC000347031152 386223440 /nfs/dbraw/zinc/22/34/40/386223440.db2.gz YEIFPMBQJCRBRG-CQSZACIVSA-N 1 0 246.354 2.175 20 30 BEEDRO CC(C)[N@H+](CCOCCC#N)CC1CCC1 ZINC000339129448 386253711 /nfs/dbraw/zinc/25/37/11/386253711.db2.gz JWSQQJUPZKCKHM-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CCN(CCC[NH+](C)C)c1cccc(F)c1C#N ZINC000230405661 386191802 /nfs/dbraw/zinc/19/18/02/386191802.db2.gz FTBUPAXDOFJJDP-UHFFFAOYSA-N 1 0 249.333 2.475 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000164687916 386196540 /nfs/dbraw/zinc/19/65/40/386196540.db2.gz JNKDIBVYZQREMR-RYUDHWBXSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cnn(C)c1 ZINC000267206706 386197111 /nfs/dbraw/zinc/19/71/11/386197111.db2.gz PQMJMKUBFFRBGB-SECBINFHSA-N 1 0 246.339 2.204 20 30 BEEDRO C=CCOCCC[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000347221774 386288200 /nfs/dbraw/zinc/28/82/00/386288200.db2.gz JDXUEBLHNDHJAU-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)CCC(C)(C)O ZINC000347300531 386302893 /nfs/dbraw/zinc/30/28/93/386302893.db2.gz MRZRJXVMMSROAT-UHFFFAOYSA-N 1 0 226.364 2.409 20 30 BEEDRO CC[N@@H+]1C[C@@H](C)N(c2ccc(C#N)cc2)C[C@@H]1C ZINC000345170608 386310824 /nfs/dbraw/zinc/31/08/24/386310824.db2.gz IOFNTFLXOZOTNB-QWHCGFSZSA-N 1 0 243.354 2.477 20 30 BEEDRO CC(C)[C@@H](O)CC[NH2+]CC(C)(C)CCC#N ZINC000164730179 386272836 /nfs/dbraw/zinc/27/28/36/386272836.db2.gz DTRDPYHODYCALB-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000347247504 386279396 /nfs/dbraw/zinc/27/93/96/386279396.db2.gz KSDSFWMSAZCOGS-TZMCWYRMSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NC(CC)CC ZINC000181244453 386340458 /nfs/dbraw/zinc/34/04/58/386340458.db2.gz SDWHCQIVUDIRPZ-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000181277296 386345676 /nfs/dbraw/zinc/34/56/76/386345676.db2.gz ZLOKRZRSAJMBNG-NSHDSACASA-N 1 0 246.310 2.480 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1nc2ccccc2o1 ZINC000639238400 386348400 /nfs/dbraw/zinc/34/84/00/386348400.db2.gz LLONOFXKLNHEGK-LLVKDONJSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccncc1 ZINC000320333491 386353175 /nfs/dbraw/zinc/35/31/75/386353175.db2.gz ZCYZEKJYWKSCRD-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO CSCC[C@@H](C)[N@H+](C)CC1(C#N)CC1 ZINC000343299338 386353346 /nfs/dbraw/zinc/35/33/46/386353346.db2.gz GNSMSMPXEYGJKN-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccncc1 ZINC000320333494 386353483 /nfs/dbraw/zinc/35/34/83/386353483.db2.gz ZCYZEKJYWKSCRD-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181556265 386358831 /nfs/dbraw/zinc/35/88/31/386358831.db2.gz XJHBXSZSYUZRGH-BXUZGUMPSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H](CO)C(C)C)cc1 ZINC000092392150 386371157 /nfs/dbraw/zinc/37/11/57/386371157.db2.gz MJNQXTDCSOHDBV-OAHLLOKOSA-N 1 0 249.354 2.358 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccn(C)c1 ZINC000280758850 386373338 /nfs/dbraw/zinc/37/33/38/386373338.db2.gz YNOWMAQYIPITOR-UONOGXRCSA-N 1 0 234.343 2.096 20 30 BEEDRO CS[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000394852236 386330093 /nfs/dbraw/zinc/33/00/93/386330093.db2.gz CXSVUSDGAZTJFV-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCOc1ccccc1CN(C)C1CC([NH3+])C1 ZINC000414767686 386440794 /nfs/dbraw/zinc/44/07/94/386440794.db2.gz GQNDAJCVOPMGKX-UHFFFAOYSA-N 1 0 246.354 2.173 20 30 BEEDRO C=CCCCC[NH2+]Cc1cnc(CC)nc1 ZINC000414425882 386397972 /nfs/dbraw/zinc/39/79/72/386397972.db2.gz BLQVOFVQEKGFNO-UHFFFAOYSA-N 1 0 219.332 2.485 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)[C@H](C)O ZINC000453319174 386404644 /nfs/dbraw/zinc/40/46/44/386404644.db2.gz CZIWGWOECMAALL-LKTVYLICSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ncc(CC)s1 ZINC000320422882 386420117 /nfs/dbraw/zinc/42/01/17/386420117.db2.gz SWVGBLBYQXHWJB-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO CC(C)(CCO)C[NH2+]CC(C)(C)CCC#N ZINC000164969190 386433389 /nfs/dbraw/zinc/43/33/89/386433389.db2.gz FSQLREYKQVRFIH-UHFFFAOYSA-N 1 0 226.364 2.315 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351884 386491596 /nfs/dbraw/zinc/49/15/96/386491596.db2.gz SUCIYWVKAYHRIT-WHOHXGKFSA-N 1 0 237.368 2.377 20 30 BEEDRO C=CCOc1cccc(CN[C@@H](C)[C@H](C)[NH3+])c1 ZINC000415013031 386495079 /nfs/dbraw/zinc/49/50/79/386495079.db2.gz ULQKVCSYDDLBOR-RYUDHWBXSA-N 1 0 234.343 2.077 20 30 BEEDRO C=CCCC[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000193056587 386530479 /nfs/dbraw/zinc/53/04/79/386530479.db2.gz JGSPXIKJJZOWAR-ZDUSSCGKSA-N 1 0 227.348 2.428 20 30 BEEDRO C=CCOc1cccc(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000414772249 386457781 /nfs/dbraw/zinc/45/77/81/386457781.db2.gz QSSPWYUBVRRDEZ-WFASDCNBSA-N 1 0 246.354 2.173 20 30 BEEDRO CSCC[N@H+](C)CC#Cc1ccc(F)cc1 ZINC000157125723 386458443 /nfs/dbraw/zinc/45/84/43/386458443.db2.gz LICCKRREIOBISO-UHFFFAOYSA-N 1 0 237.343 2.472 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425546662 386582693 /nfs/dbraw/zinc/58/26/93/386582693.db2.gz KZYTWJSQXNLQKL-LBPRGKRZSA-N 1 0 234.347 2.340 20 30 BEEDRO C#CCCCCNC(=[NH2+])Nc1ccccc1 ZINC000124339858 386584624 /nfs/dbraw/zinc/58/46/24/386584624.db2.gz QIJQZWUBAGCHRF-UHFFFAOYSA-N 1 0 215.300 2.426 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187736730 386585791 /nfs/dbraw/zinc/58/57/91/386585791.db2.gz LIWSLIZYXMNEOS-NXEZZACHSA-N 1 0 236.315 2.069 20 30 BEEDRO CN(Cc1nc(C#N)cs1)C(C)(C)C ZINC000335455014 386531532 /nfs/dbraw/zinc/53/15/32/386531532.db2.gz LRNLWNKZLMVLBV-UHFFFAOYSA-N 1 0 209.318 2.245 20 30 BEEDRO COC[C@@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000519702040 386536390 /nfs/dbraw/zinc/53/63/90/386536390.db2.gz FQHBDVXAWZPRKS-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC(CC=C)C(=O)NCCC[NH2+]C1CC1 ZINC000519702804 386536752 /nfs/dbraw/zinc/53/67/52/386536752.db2.gz HVDGGMLCNBEXKX-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO CN(CC[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000442719511 386557769 /nfs/dbraw/zinc/55/77/69/386557769.db2.gz QDXKJHZSOANIKL-KGLIPLIRSA-N 1 0 243.354 2.405 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)C1CCSCC1 ZINC000187545025 386558848 /nfs/dbraw/zinc/55/88/48/386558848.db2.gz ANEFGFSKRIRDEP-ZYHUDNBSSA-N 1 0 229.389 2.045 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC23CCC3)C1 ZINC000328767717 386619454 /nfs/dbraw/zinc/61/94/54/386619454.db2.gz PXRFYCCLXPIKEK-WOPDTQHZSA-N 1 0 247.342 2.310 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000185710918 386632190 /nfs/dbraw/zinc/63/21/90/386632190.db2.gz QIKNTSCQQHRWOM-JSGCOSHPSA-N 1 0 247.386 2.285 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc(CC)nc1 ZINC000414461372 386602221 /nfs/dbraw/zinc/60/22/21/386602221.db2.gz DNNPGTYASZGEPK-UHFFFAOYSA-N 1 0 219.332 2.341 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C ZINC000336759481 386664041 /nfs/dbraw/zinc/66/40/41/386664041.db2.gz JBRAKIWFZDREBC-SDDRHHMPSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H]1CCN(C)C1 ZINC000042545639 386685264 /nfs/dbraw/zinc/68/52/64/386685264.db2.gz VTUBQCGMLVEULJ-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000520575173 386700728 /nfs/dbraw/zinc/70/07/28/386700728.db2.gz DKRPLOWVVNVXTC-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCC[N@@H+](CC)Cc1ccoc1 ZINC000645082731 386704926 /nfs/dbraw/zinc/70/49/26/386704926.db2.gz ORFMFTBLBHAVHH-UHFFFAOYSA-N 1 0 209.289 2.304 20 30 BEEDRO CSCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192880216 386733706 /nfs/dbraw/zinc/73/37/06/386733706.db2.gz RLRDWUYMSZITDL-GHMZBOCLSA-N 1 0 212.362 2.411 20 30 BEEDRO COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCCC#N ZINC000330489341 386736633 /nfs/dbraw/zinc/73/66/33/386736633.db2.gz KGSCKXAIKFPBSR-DGCLKSJQSA-N 1 0 238.331 2.002 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@H](C)O ZINC000453319175 386745055 /nfs/dbraw/zinc/74/50/55/386745055.db2.gz CZIWGWOECMAALL-NZVBXONLSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCOCC[NH+]1CCC(C2CC2)CC1 ZINC000645150957 386759112 /nfs/dbraw/zinc/75/91/12/386759112.db2.gz XHHQHQQAXUIKPB-UHFFFAOYSA-N 1 0 209.333 2.311 20 30 BEEDRO C[N@H+](CCOCC1CC1)Cc1ccc(C#N)cc1 ZINC000088077763 386764464 /nfs/dbraw/zinc/76/44/64/386764464.db2.gz DGIFAMLKXCPUHP-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO C[C@H]1NCCC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335538168 386742520 /nfs/dbraw/zinc/74/25/20/386742520.db2.gz IZVUYZNWZTUNBZ-NELGMTEASA-N 1 0 235.375 2.189 20 30 BEEDRO C=CCN(CC=C)CC[C@@H]1CCC[N@H+]1C ZINC000125197291 386773480 /nfs/dbraw/zinc/77/34/80/386773480.db2.gz PRWMIFWXWWEFGZ-ZDUSSCGKSA-N 1 0 208.349 2.145 20 30 BEEDRO C=CCN(CC=C)CC[C@H]1CCC[N@H+]1C ZINC000125197062 386773786 /nfs/dbraw/zinc/77/37/86/386773786.db2.gz PRWMIFWXWWEFGZ-CYBMUJFWSA-N 1 0 208.349 2.145 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCCCO)C1CC1 ZINC000192931612 386797237 /nfs/dbraw/zinc/79/72/37/386797237.db2.gz COJVWLCTOOAZQA-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO CC1(C)C[C@@H](O)CC[N@H+](CCCCC#N)C1 ZINC000395302990 386807968 /nfs/dbraw/zinc/80/79/68/386807968.db2.gz BKRYBULAAMKJGN-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000395303855 386809179 /nfs/dbraw/zinc/80/91/79/386809179.db2.gz WINVHUWABYCCRN-ZDUSSCGKSA-N 1 0 221.348 2.464 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@H]1SC ZINC000425342500 386842735 /nfs/dbraw/zinc/84/27/35/386842735.db2.gz AOIITYRFSFDWMS-XQHKEYJVSA-N 1 0 241.400 2.451 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C[C@H](CC)OC ZINC000289866940 533197370 /nfs/dbraw/zinc/19/73/70/533197370.db2.gz QVCXYKJAUCVTTH-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000638523752 386856017 /nfs/dbraw/zinc/85/60/17/386856017.db2.gz GGPCCXSFDNSHRE-YPMHNXCESA-N 1 0 240.416 2.120 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc(COC)c1 ZINC000051753360 386869784 /nfs/dbraw/zinc/86/97/84/386869784.db2.gz LEBYJHGAHNVTPX-UHFFFAOYSA-N 1 0 205.301 2.499 20 30 BEEDRO CC[C@H](O)CCC[NH2+]Cc1cc(C#N)cs1 ZINC000165166557 386874816 /nfs/dbraw/zinc/87/48/16/386874816.db2.gz BNRWTUMIZBNEKH-NSHDSACASA-N 1 0 238.356 2.260 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000336739304 386878772 /nfs/dbraw/zinc/87/87/72/386878772.db2.gz SKGPPVKPNGGTFY-FRRDWIJNSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccncn1 ZINC000393802986 259701507 /nfs/dbraw/zinc/70/15/07/259701507.db2.gz NDXKXPBMVLMWIW-GHMZBOCLSA-N 1 0 205.305 2.482 20 30 BEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC1(C#N)CCC1 ZINC000334823454 386953675 /nfs/dbraw/zinc/95/36/75/386953675.db2.gz FCSSPKNMZRNGBB-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO CCOCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192588795 386968190 /nfs/dbraw/zinc/96/81/90/386968190.db2.gz VTDJTDYRLNNASO-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CC[C@H]1SC ZINC000425364240 386973487 /nfs/dbraw/zinc/97/34/87/386973487.db2.gz XGYISHLCMRWHGF-VHSXEESVSA-N 1 0 217.403 2.389 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000425361683 386982875 /nfs/dbraw/zinc/98/28/75/386982875.db2.gz ZWGUEVGMXLZWQH-QWRGUYRKSA-N 1 0 227.373 2.063 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ncc(C(=O)OC)s1 ZINC000314742918 386993633 /nfs/dbraw/zinc/99/36/33/386993633.db2.gz WYPGMAJVYKGGNV-MRVPVSSYSA-N 1 0 240.328 2.156 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000190913963 387035745 /nfs/dbraw/zinc/03/57/45/387035745.db2.gz ZNXMLRDOMANHCH-KBPBESRZSA-N 1 0 230.311 2.215 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000168600909 387036412 /nfs/dbraw/zinc/03/64/12/387036412.db2.gz VPTBXCIUGRSZBT-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000190918907 387037743 /nfs/dbraw/zinc/03/77/43/387037743.db2.gz FBCDBCVOBVNUPY-NXEZZACHSA-N 1 0 236.340 2.277 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)cn1 ZINC000192640074 387042738 /nfs/dbraw/zinc/04/27/38/387042738.db2.gz ZBYPHLAFGXPMJQ-WCQYABFASA-N 1 0 245.326 2.262 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCOCC2)C1 ZINC000193071642 387045143 /nfs/dbraw/zinc/04/51/43/387045143.db2.gz TXEAAIBMRKACAE-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CCCCC2)C1 ZINC000192641527 387048482 /nfs/dbraw/zinc/04/84/82/387048482.db2.gz XTPBNZLZJJJKMY-ZIAGYGMSSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000418032769 387051815 /nfs/dbraw/zinc/05/18/15/387051815.db2.gz QCLCKRUQORKCNV-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)c(F)c1 ZINC000342197225 387053482 /nfs/dbraw/zinc/05/34/82/387053482.db2.gz BVWWPOPXFSBWCM-MWLCHTKSSA-N 1 0 240.228 2.441 20 30 BEEDRO CS[C@@H]1CC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000425371530 387011710 /nfs/dbraw/zinc/01/17/10/387011710.db2.gz QICJEYYFPJBOAP-VHSXEESVSA-N 1 0 212.362 2.410 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000192618699 387012212 /nfs/dbraw/zinc/01/22/12/387012212.db2.gz PLACCVQTPIZQFZ-UONOGXRCSA-N 1 0 235.375 2.144 20 30 BEEDRO CS[C@H]1CC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000425371484 387013084 /nfs/dbraw/zinc/01/30/84/387013084.db2.gz QGBWDAHSZAKQRP-UWVGGRQHSA-N 1 0 210.346 2.164 20 30 BEEDRO CC#CCC[NH2+]Cc1ccnn1CC(C)C ZINC000648022099 387017376 /nfs/dbraw/zinc/01/73/76/387017376.db2.gz YSEVGSUUNDIKHF-UHFFFAOYSA-N 1 0 219.332 2.042 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000130290777 387073173 /nfs/dbraw/zinc/07/31/73/387073173.db2.gz VTXUGBNQXODRCB-SNVBAGLBSA-N 1 0 236.340 2.231 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000334991205 387080092 /nfs/dbraw/zinc/08/00/92/387080092.db2.gz GEEVVMHPXRXDNM-UHFFFAOYSA-N 1 0 217.316 2.183 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000066665124 387089157 /nfs/dbraw/zinc/08/91/57/387089157.db2.gz SIRPZFPLGDKMOS-GFCCVEGCSA-N 1 0 228.767 2.299 20 30 BEEDRO C=CCC[C@@H](CO)Nc1cc[nH+]c(C)c1 ZINC000321299049 387093211 /nfs/dbraw/zinc/09/32/11/387093211.db2.gz YXPXIUYOPFOQLZ-LBPRGKRZSA-N 1 0 206.289 2.129 20 30 BEEDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000425971992 387100508 /nfs/dbraw/zinc/10/05/08/387100508.db2.gz URMQIKKZZYEIEW-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000269423469 387111465 /nfs/dbraw/zinc/11/14/65/387111465.db2.gz MUPDJSZPXVOYKE-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@@H]1CCOC1 ZINC000121679031 387143569 /nfs/dbraw/zinc/14/35/69/387143569.db2.gz VGHTWBWXJLKIGA-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO CCn1cncc1C[NH2+]CC1CCC(C#N)CC1 ZINC000418135090 387157848 /nfs/dbraw/zinc/15/78/48/387157848.db2.gz HJPKCPAGECWJMN-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+]CC1(C#N)CCC1 ZINC000418145268 387166992 /nfs/dbraw/zinc/16/69/92/387166992.db2.gz WZEAKVOMQOSJCN-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC(C)[NH+]1CCC(NCC2(C#N)CCC2)CC1 ZINC000418135516 387169932 /nfs/dbraw/zinc/16/99/32/387169932.db2.gz AWJDOMWMFLNOTM-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000193300475 387193571 /nfs/dbraw/zinc/19/35/71/387193571.db2.gz ZVOYXZRTMJKAIP-QWHCGFSZSA-N 1 0 236.359 2.211 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418137684 387174110 /nfs/dbraw/zinc/17/41/10/387174110.db2.gz FDKDBNIRQYPHKX-NSHDSACASA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@H](CC)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418147741 387177710 /nfs/dbraw/zinc/17/77/10/387177710.db2.gz MMVLPAQNHOFSGK-RYUDHWBXSA-N 1 0 241.379 2.014 20 30 BEEDRO C[N@H+](CCCC#N)CC1(O)CCCCCC1 ZINC000187353003 387182175 /nfs/dbraw/zinc/18/21/75/387182175.db2.gz WXQJTOBUKHVFAH-UHFFFAOYSA-N 1 0 224.348 2.307 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000571851691 387186120 /nfs/dbraw/zinc/18/61/20/387186120.db2.gz CMNNAQVVNQAZLR-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cn[nH]c1 ZINC000229626831 387188180 /nfs/dbraw/zinc/18/81/80/387188180.db2.gz ZMZUTAJRUIRLDJ-SNVBAGLBSA-N 1 0 220.320 2.390 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000121673812 387140343 /nfs/dbraw/zinc/14/03/43/387140343.db2.gz KFAPEHKXAICKBG-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CNCC[C@@H]1C ZINC000423355449 387205860 /nfs/dbraw/zinc/20/58/60/387205860.db2.gz FNGVNAAPKFGTKD-AVGNSLFASA-N 1 0 210.365 2.319 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187825611 387214588 /nfs/dbraw/zinc/21/45/88/387214588.db2.gz RMQQIXKZMBIOOP-MJVIPROJSA-N 1 0 217.378 2.040 20 30 BEEDRO C=C(C)CC[N@H+](CCO)[C@H]1CCCSC1 ZINC000433190920 387223548 /nfs/dbraw/zinc/22/35/48/387223548.db2.gz XTXLRXDLRDAAQU-LBPRGKRZSA-N 1 0 229.389 2.143 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000424645140 387231918 /nfs/dbraw/zinc/23/19/18/387231918.db2.gz OKJOVPIFTOFGKG-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000572119184 387239428 /nfs/dbraw/zinc/23/94/28/387239428.db2.gz XWWDXSNAZNWAHC-GJZGRUSLSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](CC)CCC ZINC000424696824 387251625 /nfs/dbraw/zinc/25/16/25/387251625.db2.gz ACBOSBLDECJDQU-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C[C@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000643499284 387280442 /nfs/dbraw/zinc/28/04/42/387280442.db2.gz WBDMLZQJTKKTBE-UWVGGRQHSA-N 1 0 218.300 2.011 20 30 BEEDRO COCC1([NH2+]Cc2ccc(C#N)c(F)c2)CCC1 ZINC000404086044 387355726 /nfs/dbraw/zinc/35/57/26/387355726.db2.gz RHDGNPDFGVILLL-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1ccnn1C ZINC000192249823 387358093 /nfs/dbraw/zinc/35/80/93/387358093.db2.gz BDWDTHNXMLMKKU-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@H]([NH2+]CCCCCO)c1ccc(C#N)cc1 ZINC000051020913 387358127 /nfs/dbraw/zinc/35/81/27/387358127.db2.gz RKSXTZCKKRZGME-LBPRGKRZSA-N 1 0 232.327 2.371 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000515303399 387361299 /nfs/dbraw/zinc/36/12/99/387361299.db2.gz BYGYSAMBQFRXTB-ZBFHGGJFSA-N 1 0 245.366 2.425 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000515303398 387361454 /nfs/dbraw/zinc/36/14/54/387361454.db2.gz BYGYSAMBQFRXTB-HOCLYGCPSA-N 1 0 245.366 2.425 20 30 BEEDRO CC(C)C1(C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000191300278 387380886 /nfs/dbraw/zinc/38/08/86/387380886.db2.gz ULASEJSTYPKXBX-UHFFFAOYSA-N 1 0 231.343 2.423 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000515005159 387322095 /nfs/dbraw/zinc/32/20/95/387322095.db2.gz GDWWUFYUVMGRMW-AVGNSLFASA-N 1 0 219.332 2.454 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[C@H]1O ZINC000270096610 387332049 /nfs/dbraw/zinc/33/20/49/387332049.db2.gz KRZYRPLZYREFDP-LSDHHAIUSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CC[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000162609448 387447847 /nfs/dbraw/zinc/44/78/47/387447847.db2.gz FDCKRYDCOCABAC-NSHDSACASA-N 1 0 242.363 2.455 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2c1cccc2OC ZINC000273391274 387454986 /nfs/dbraw/zinc/45/49/86/387454986.db2.gz DRAQPCRKPNKKJI-RISCZKNCSA-N 1 0 247.338 2.209 20 30 BEEDRO N#Cc1cccc(CNC(=[NH2+])NC2CCCC2)c1 ZINC000052046507 387457835 /nfs/dbraw/zinc/45/78/35/387457835.db2.gz YLPGRGZNEIHKOO-UHFFFAOYSA-N 1 0 242.326 2.115 20 30 BEEDRO CC[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191440979 387401842 /nfs/dbraw/zinc/40/18/42/387401842.db2.gz CJDRFOPSGUHHOY-NSHDSACASA-N 1 0 217.316 2.129 20 30 BEEDRO C#CC[N@H+](CC)CCCCCn1cccn1 ZINC000266969714 387406867 /nfs/dbraw/zinc/40/68/67/387406867.db2.gz ZSCHASQRQJSDRG-UHFFFAOYSA-N 1 0 219.332 2.009 20 30 BEEDRO Cn1cc(C[N@H+](C)CCC2CC2)cc1C#N ZINC000191449180 387407619 /nfs/dbraw/zinc/40/76/19/387407619.db2.gz QMVLLUXMVTVNEN-UHFFFAOYSA-N 1 0 217.316 2.129 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000268201531 387415738 /nfs/dbraw/zinc/41/57/38/387415738.db2.gz MSJCZTZMENGVAY-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO CSCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000152397359 387421234 /nfs/dbraw/zinc/42/12/34/387421234.db2.gz BQEAOEPHFXDXNW-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H](O)CSC)c1ccccc1 ZINC000275189791 387499738 /nfs/dbraw/zinc/49/97/38/387499738.db2.gz ORRCDSAHNYHTEP-KBPBESRZSA-N 1 0 249.379 2.065 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1ccncn1 ZINC000395886857 387501749 /nfs/dbraw/zinc/50/17/49/387501749.db2.gz DVXYADHHMDWJFX-JTQLQIEISA-N 1 0 223.345 2.046 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)C2CC2)CC1 ZINC000165302571 387521459 /nfs/dbraw/zinc/52/14/59/387521459.db2.gz MEOCPNNEXWLQBA-LLVKDONJSA-N 1 0 208.349 2.025 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000527191508 387524380 /nfs/dbraw/zinc/52/43/80/387524380.db2.gz ADUMPSROUPFHKA-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)c1cnn(C)c1 ZINC000276959299 387526516 /nfs/dbraw/zinc/52/65/16/387526516.db2.gz LVQVNMKXWLTHBF-CYBMUJFWSA-N 1 0 239.322 2.122 20 30 BEEDRO C=CC[N@@H+](C[C@@H](C)O)CC1CCCCC1 ZINC000192719055 387526368 /nfs/dbraw/zinc/52/63/68/387526368.db2.gz ARIPCQFTSNNZDG-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000425924966 387533393 /nfs/dbraw/zinc/53/33/93/387533393.db2.gz UQLOZYYJZLYQEJ-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192779510 387535249 /nfs/dbraw/zinc/53/52/49/387535249.db2.gz ATVYIKGVJFEKTN-NWDGAFQWSA-N 1 0 224.348 2.209 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccccc1C(=O)N(C)C ZINC000417970717 387538725 /nfs/dbraw/zinc/53/87/25/387538725.db2.gz QSCOJQJHALIXQE-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C#CCN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000084681084 387464797 /nfs/dbraw/zinc/46/47/97/387464797.db2.gz JEDJGPREXZJDNK-UHFFFAOYSA-N 1 0 248.414 2.452 20 30 BEEDRO Cc1ccc(C)c(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424072647 387476808 /nfs/dbraw/zinc/47/68/08/387476808.db2.gz DMKJUARGLJUDDJ-LBPRGKRZSA-N 1 0 245.326 2.263 20 30 BEEDRO C=CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424081277 387483049 /nfs/dbraw/zinc/48/30/49/387483049.db2.gz VAJRGMKIDDQUOP-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO CC(C)[NH+]1CCN(c2ccc(F)cc2C#N)CC1 ZINC000104246327 387489362 /nfs/dbraw/zinc/48/93/62/387489362.db2.gz VPYFHOUEKYJCRT-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000274799380 387491458 /nfs/dbraw/zinc/49/14/58/387491458.db2.gz QLXNJHYLQDJAQN-LBPRGKRZSA-N 1 0 234.347 2.259 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000336787349 387582412 /nfs/dbraw/zinc/58/24/12/387582412.db2.gz LLWFUZKAELSCJS-LLVKDONJSA-N 1 0 249.310 2.269 20 30 BEEDRO C=CCC(C)(C)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422617144 387608650 /nfs/dbraw/zinc/60/86/50/387608650.db2.gz JJBMYVLFNHEYOE-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO Cc1cc(CC[NH2+]Cc2cc(C#N)cs2)on1 ZINC000353081843 387620762 /nfs/dbraw/zinc/62/07/62/387620762.db2.gz FRIUCLGXXZODQY-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)C(C)(C)C ZINC000283893216 387576456 /nfs/dbraw/zinc/57/64/56/387576456.db2.gz FGQQZHLUUIMRPA-CQSZACIVSA-N 1 0 246.354 2.397 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](C(=O)NC)C(C)C ZINC000426533232 387579286 /nfs/dbraw/zinc/57/92/86/387579286.db2.gz OQFIYOCAEDTVGQ-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000362594306 387638474 /nfs/dbraw/zinc/63/84/74/387638474.db2.gz RVTXTAVCOBYRMN-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000293849891 387660906 /nfs/dbraw/zinc/66/09/06/387660906.db2.gz UBEZUHDIDMARFA-CYBMUJFWSA-N 1 0 230.311 2.215 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451896089 387672462 /nfs/dbraw/zinc/67/24/62/387672462.db2.gz UKDINEXWBWHWEY-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO CC#CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451940953 387682998 /nfs/dbraw/zinc/68/29/98/387682998.db2.gz MVYMHQCJRNUXJD-UHFFFAOYSA-N 1 0 243.350 2.391 20 30 BEEDRO C=CCCC[N@@H+](C)CC1(CC(=O)OC)CC1 ZINC000440799628 387706267 /nfs/dbraw/zinc/70/62/67/387706267.db2.gz UQVPHMSTDHPQLH-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC23CC(C2)CO3)CC1 ZINC000527787440 387715114 /nfs/dbraw/zinc/71/51/14/387715114.db2.gz BNMCGJSPYYHFFS-UHFFFAOYSA-N 1 0 234.343 2.227 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000353223518 387762115 /nfs/dbraw/zinc/76/21/15/387762115.db2.gz WSOWRVHIYPWRLP-GFCCVEGCSA-N 1 0 232.327 2.333 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ncccc2OC)CC1 ZINC000527878079 387768910 /nfs/dbraw/zinc/76/89/10/387768910.db2.gz BRQUZXBOJXRQQM-UHFFFAOYSA-N 1 0 247.342 2.153 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441647341 387773730 /nfs/dbraw/zinc/77/37/30/387773730.db2.gz NABOSAJBZJHEQZ-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccncc1 ZINC000424146805 387780249 /nfs/dbraw/zinc/78/02/49/387780249.db2.gz XKNYHFBRNILZIK-XBFCOCLRSA-N 1 0 232.327 2.323 20 30 BEEDRO COC[C@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353412893 387789468 /nfs/dbraw/zinc/78/94/68/387789468.db2.gz NPCIJHMVPULSQJ-ABAIWWIYSA-N 1 0 244.338 2.418 20 30 BEEDRO CS[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000294390019 387791588 /nfs/dbraw/zinc/79/15/88/387791588.db2.gz JPXUWMJMVYPKFQ-ZDUSSCGKSA-N 1 0 232.352 2.496 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cnccc1N ZINC000422981702 387793102 /nfs/dbraw/zinc/79/31/02/387793102.db2.gz PAGBFNKMGBARSF-NXEZZACHSA-N 1 0 205.305 2.109 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000528001150 387807063 /nfs/dbraw/zinc/80/70/63/387807063.db2.gz LPOWCSVSZZBKTP-UMVBOHGHSA-N 1 0 247.386 2.285 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2)C1 ZINC000442633497 387808875 /nfs/dbraw/zinc/80/88/75/387808875.db2.gz JUEUUFQFIYDRCC-OLZOCXBDSA-N 1 0 230.311 2.347 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)C1 ZINC000442658161 387813536 /nfs/dbraw/zinc/81/35/36/387813536.db2.gz YXCNOYMJIKEKBG-ZYHUDNBSSA-N 1 0 244.294 2.197 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC1(O)CCOCC1 ZINC000151234931 387809280 /nfs/dbraw/zinc/80/92/80/387809280.db2.gz WWFNOPBGRAKHQV-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO CCN1C[C@@H](C)[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389437 387757148 /nfs/dbraw/zinc/75/71/48/387757148.db2.gz ZLSQXHCVLDETLR-URGYJCLVSA-N 1 0 249.402 2.246 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527859233 387757332 /nfs/dbraw/zinc/75/73/32/387757332.db2.gz ODUQMDIFAPRHQS-GXTWGEPZSA-N 1 0 234.387 2.415 20 30 BEEDRO CC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442714873 387829039 /nfs/dbraw/zinc/82/90/39/387829039.db2.gz LVIWWDGXTQISRS-MELADBBJSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)(CO)CC[NH2+]Cc1ccc(C#N)s1 ZINC000294822469 387830449 /nfs/dbraw/zinc/83/04/49/387830449.db2.gz PBBRSGQDWQGKDZ-UHFFFAOYSA-N 1 0 238.356 2.118 20 30 BEEDRO COC[C@]1(C)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000295111365 387834064 /nfs/dbraw/zinc/83/40/64/387834064.db2.gz LSIDLBGACDLLAU-CYBMUJFWSA-N 1 0 234.299 2.010 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cccc(C#N)c1 ZINC000295123152 387835121 /nfs/dbraw/zinc/83/51/21/387835121.db2.gz WWNCQKNIXXWIBR-LLVKDONJSA-N 1 0 232.327 2.197 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000442771909 387837546 /nfs/dbraw/zinc/83/75/46/387837546.db2.gz VADHMNNBLBVKEG-BPLDGKMQSA-N 1 0 244.338 2.392 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442777951 387837937 /nfs/dbraw/zinc/83/79/37/387837937.db2.gz AONJQOCJEJLNQC-VXGBXAGGSA-N 1 0 233.315 2.116 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(CCO)CCCC2)C1 ZINC000442779479 387840000 /nfs/dbraw/zinc/84/00/00/387840000.db2.gz ISLZPRLAJGSFMC-QWHCGFSZSA-N 1 0 236.359 2.211 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442785948 387840112 /nfs/dbraw/zinc/84/01/12/387840112.db2.gz WLTPOTHJAAPORC-RRFJBIMHSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H](CCO)CC[NH2+]Cc1cccc(C#N)c1 ZINC000295189123 387840181 /nfs/dbraw/zinc/84/01/81/387840181.db2.gz XBDHRDLEZZWXFF-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000328065963 387845931 /nfs/dbraw/zinc/84/59/31/387845931.db2.gz COOTUUOUBHKODL-KGLIPLIRSA-N 1 0 222.376 2.110 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000442807620 387846371 /nfs/dbraw/zinc/84/63/71/387846371.db2.gz FICDPPGVHXOWKI-MBNYWOFBSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(CN[C@@H]1CCC[C@H]1[NH3+])c1ccccc1 ZINC000423033471 387849827 /nfs/dbraw/zinc/84/98/27/387849827.db2.gz WWZUFFJRBGYTDH-ZIAGYGMSSA-N 1 0 216.328 2.169 20 30 BEEDRO CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442849747 387849998 /nfs/dbraw/zinc/84/99/98/387849998.db2.gz BZWJKLUXEOQYEX-AGIUHOORSA-N 1 0 236.359 2.065 20 30 BEEDRO Cc1cnccc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442841178 387850157 /nfs/dbraw/zinc/85/01/57/387850157.db2.gz FXTNWRDQVPNEKW-GXTWGEPZSA-N 1 0 229.327 2.214 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC000442857171 387851878 /nfs/dbraw/zinc/85/18/78/387851878.db2.gz PCZGPLJIMZJONR-SWHYSGLUSA-N 1 0 248.301 2.141 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000442869952 387854007 /nfs/dbraw/zinc/85/40/07/387854007.db2.gz BZBPHYJOVYHMRI-RYUDHWBXSA-N 1 0 235.327 2.227 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H](C)C2)nn1 ZINC000424167100 387854195 /nfs/dbraw/zinc/85/41/95/387854195.db2.gz BVFKXPNEPDPSLV-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C(C)C[N@H+](C)CCc1ccncc1C ZINC000645847869 387857249 /nfs/dbraw/zinc/85/72/49/387857249.db2.gz MZTXECGKASYISV-UHFFFAOYSA-N 1 0 204.317 2.440 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC(C)(C)C[C@H]2C)nn1 ZINC000424169111 387860003 /nfs/dbraw/zinc/86/00/03/387860003.db2.gz HGVQSIJYASYXEP-DGCLKSJQSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)nn1 ZINC000424170704 387861198 /nfs/dbraw/zinc/86/11/98/387861198.db2.gz KARPVKCYGXFFNV-VXGBXAGGSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)nn1 ZINC000424171020 387862744 /nfs/dbraw/zinc/86/27/44/387862744.db2.gz LACBQLWYJUXUFQ-QWHCGFSZSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)nn1 ZINC000424170091 387865153 /nfs/dbraw/zinc/86/51/53/387865153.db2.gz JBBAIEGQCCQIJW-JHJVBQTASA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCN(Cc1ccccc1F)C[C@H](C)[NH3+] ZINC000442663350 387816851 /nfs/dbraw/zinc/81/68/51/387816851.db2.gz JSKAALNNNRAOIB-NSHDSACASA-N 1 0 222.307 2.161 20 30 BEEDRO Cc1cccc(F)c1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424179997 387890597 /nfs/dbraw/zinc/89/05/97/387890597.db2.gz MUCHZJMVPLHTEO-LLVKDONJSA-N 1 0 249.289 2.094 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1C ZINC000424179871 387891622 /nfs/dbraw/zinc/89/16/22/387891622.db2.gz ZIZNTRUACCGJAQ-CYDGBPFRSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537398 387875400 /nfs/dbraw/zinc/87/54/00/387875400.db2.gz GUCLZLHKXNPESJ-AVGNSLFASA-N 1 0 228.355 2.411 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CCC[C@@H](C)C1)C(C)(C)C ZINC000262330693 533220207 /nfs/dbraw/zinc/22/02/07/533220207.db2.gz VJAFYWMXOSCDFX-VXGBXAGGSA-N 1 0 235.375 2.081 20 30 BEEDRO C=CCOc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000423097769 387887124 /nfs/dbraw/zinc/88/71/24/387887124.db2.gz BJHINNLQKLYNPJ-GJZGRUSLSA-N 1 0 246.354 2.221 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CNCC[C@@H]1C ZINC000423132020 387909340 /nfs/dbraw/zinc/90/93/40/387909340.db2.gz IROZAAFMCHMUQO-RYUDHWBXSA-N 1 0 210.365 2.176 20 30 BEEDRO C=CC[C@H]1[N@@H+](CCOCCO)CCCC1(C)C ZINC000444781191 387929695 /nfs/dbraw/zinc/92/96/95/387929695.db2.gz GIGSKKBQECLACG-CYBMUJFWSA-N 1 0 241.375 2.062 20 30 BEEDRO CC(C)n1cncc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424203183 387928178 /nfs/dbraw/zinc/92/81/78/387928178.db2.gz QYJZULLKVTXMKW-NWDGAFQWSA-N 1 0 232.331 2.246 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1nccnc1C ZINC000424292504 387954253 /nfs/dbraw/zinc/95/42/53/387954253.db2.gz GXJQBPSFOPNNIA-AGIUHOORSA-N 1 0 247.342 2.027 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCCC23CCC3)nn1 ZINC000424293584 387954585 /nfs/dbraw/zinc/95/45/85/387954585.db2.gz IRXGXFCOWRFTQW-CYBMUJFWSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)nn1 ZINC000424292712 387955225 /nfs/dbraw/zinc/95/52/25/387955225.db2.gz HEKPKNQXERKWQV-BNOWGMLFSA-N 1 0 246.358 2.132 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cnccc1N ZINC000423158863 387939716 /nfs/dbraw/zinc/93/97/16/387939716.db2.gz XFMHGDCORDUZCS-SNVBAGLBSA-N 1 0 205.305 2.111 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000245385312 387942315 /nfs/dbraw/zinc/94/23/15/387942315.db2.gz BRWKTONEZQEHCM-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1CC(C(C)C)C1 ZINC000321068804 387942738 /nfs/dbraw/zinc/94/27/38/387942738.db2.gz FLPYGXRLDWRWIJ-OTTFEQOBSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+](C)CC[C@H](C)O ZINC000249093959 387945668 /nfs/dbraw/zinc/94/56/68/387945668.db2.gz FAXKFGQFNLUCIT-NWDGAFQWSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@H](NCC(C)(C)CC#N)[C@@H]1CCCC[NH2+]1 ZINC000423166076 387950358 /nfs/dbraw/zinc/95/03/58/387950358.db2.gz CEBHQVJXCBJVDA-RYUDHWBXSA-N 1 0 223.364 2.046 20 30 BEEDRO C[C@@H](NCC(C)(C)CC#N)[C@@H]1CCCC[NH2+]1 ZINC000423166074 387950410 /nfs/dbraw/zinc/95/04/10/387950410.db2.gz CEBHQVJXCBJVDA-NEPJUHHUSA-N 1 0 223.364 2.046 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccccn1 ZINC000424297935 387957951 /nfs/dbraw/zinc/95/79/51/387957951.db2.gz RNOZWOPUGCJKLR-DYEKYZERSA-N 1 0 232.327 2.323 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C)CC(C)(C)C)nn1 ZINC000424297511 387959155 /nfs/dbraw/zinc/95/91/55/387959155.db2.gz QTSAUIINAHDXMB-NSHDSACASA-N 1 0 236.363 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)nn1 ZINC000424298637 387959533 /nfs/dbraw/zinc/95/95/33/387959533.db2.gz STTBMHYJONHLQB-YRGRVCCFSA-N 1 0 248.374 2.378 20 30 BEEDRO CC[C@@H](NCC(C)(C)CC#N)[C@@H]1CCC[NH2+]1 ZINC000423172621 387960085 /nfs/dbraw/zinc/96/00/85/387960085.db2.gz UJXORNNBMQAKKH-NEPJUHHUSA-N 1 0 223.364 2.046 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](CC)[C@@H]2CC2(C)C)nn1 ZINC000424300459 387960861 /nfs/dbraw/zinc/96/08/61/387960861.db2.gz XROIJRFITISIGL-QWHCGFSZSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000424300947 387960921 /nfs/dbraw/zinc/96/09/21/387960921.db2.gz YUBPHOOHEHRBLD-VOAKCMCISA-N 1 0 247.342 2.070 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](CC)CSC ZINC000245577146 387961751 /nfs/dbraw/zinc/96/17/51/387961751.db2.gz FKVOYXCANRUZLB-RYUDHWBXSA-N 1 0 231.405 2.387 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424306022 387962030 /nfs/dbraw/zinc/96/20/30/387962030.db2.gz UESWKSVCICOSHF-KIJLLGNVSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](CC)c1nccn1C ZINC000424301299 387962355 /nfs/dbraw/zinc/96/23/55/387962355.db2.gz ZRWDLYYLKRTBSP-XQQFMLRXSA-N 1 0 249.358 2.052 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nccc(OC)n1 ZINC000424309250 387964271 /nfs/dbraw/zinc/96/42/71/387964271.db2.gz QOUOLAZLAIIJBY-WDEREUQCSA-N 1 0 235.331 2.176 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)CC[C@H](C)O ZINC000438976935 387966889 /nfs/dbraw/zinc/96/68/89/387966889.db2.gz JMOPANRZKKTILI-LBPRGKRZSA-N 1 0 212.337 2.019 20 30 BEEDRO CCCC[C@@H](COC)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424321643 387969946 /nfs/dbraw/zinc/96/99/46/387969946.db2.gz HKALNKKWBRLHNI-XQQFMLRXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCOC1 ZINC000424333623 387979338 /nfs/dbraw/zinc/97/93/38/387979338.db2.gz UQDGGTVKOXXPOI-YVECIDJPSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424327125 387973807 /nfs/dbraw/zinc/97/38/07/387973807.db2.gz MOQZVPCIYRJAEB-MJBXVCDLSA-N 1 0 246.358 2.190 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(CC#N)CC3)C[C@H]2C1 ZINC000424343149 387987247 /nfs/dbraw/zinc/98/72/47/387987247.db2.gz FCWZYRUCDFOEAG-KPWCQOOUSA-N 1 0 248.370 2.473 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500275 135087238 /nfs/dbraw/zinc/08/72/38/135087238.db2.gz CPINQJXFTYGLHO-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO N#CCCCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424340382 387982923 /nfs/dbraw/zinc/98/29/23/387982923.db2.gz GRZUMXAAQCLRTM-UHFFFAOYSA-N 1 0 234.303 2.034 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)c1ccncc1 ZINC000453160833 388000701 /nfs/dbraw/zinc/00/07/01/388000701.db2.gz IBSPJTWDGXBHIL-GXTWGEPZSA-N 1 0 234.343 2.307 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CC(C)(C)O ZINC000081745427 388011119 /nfs/dbraw/zinc/01/11/19/388011119.db2.gz QIZDCAHLWINICK-UHFFFAOYSA-N 1 0 212.337 2.019 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)Cc1cnccn1 ZINC000453197461 388008078 /nfs/dbraw/zinc/00/80/78/388008078.db2.gz NEYUOGSRFOBWPQ-GFCCVEGCSA-N 1 0 219.332 2.354 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)c1ccncc1 ZINC000453197486 388008730 /nfs/dbraw/zinc/00/87/30/388008730.db2.gz NHIDYXGJSYOYJA-OLZOCXBDSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)CC(=C)Cl ZINC001645453888 1172670062 /nfs/dbraw/zinc/67/00/62/1172670062.db2.gz UGCCMAIRCGCAJV-UHFFFAOYSA-N 1 0 216.756 2.179 20 30 BEEDRO CCn1ccnc1CN(CC#N)C1CCCC1 ZINC000156636654 388013323 /nfs/dbraw/zinc/01/33/23/388013323.db2.gz URQHEHNKPWLPCG-UHFFFAOYSA-N 1 0 232.331 2.171 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCO1 ZINC000446825316 388040288 /nfs/dbraw/zinc/04/02/88/388040288.db2.gz YXEGWYSPSCXCPD-XJFOESAGSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000453325916 388041185 /nfs/dbraw/zinc/04/11/85/388041185.db2.gz VCSJKJMJQHLIMW-LBPRGKRZSA-N 1 0 219.332 2.427 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000453311682 388042090 /nfs/dbraw/zinc/04/20/90/388042090.db2.gz GTPFCSPJGWQQIQ-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000453311683 388042922 /nfs/dbraw/zinc/04/29/22/388042922.db2.gz GTPFCSPJGWQQIQ-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000453340747 388052544 /nfs/dbraw/zinc/05/25/44/388052544.db2.gz CIPNXFOQAFAZJF-XQHKEYJVSA-N 1 0 239.359 2.123 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCC[C@H]1C ZINC000453351136 388055271 /nfs/dbraw/zinc/05/52/71/388055271.db2.gz JEGQXAUNYPPBHE-XQHKEYJVSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)C1CC1 ZINC000453354352 388057479 /nfs/dbraw/zinc/05/74/79/388057479.db2.gz NJCSMNJGBHPDOM-UPJWGTAASA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000453361763 388059913 /nfs/dbraw/zinc/05/99/13/388059913.db2.gz PLJNLQOWYZSSCX-HONMWMINSA-N 1 0 233.311 2.386 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CC)c1ccn(C)n1 ZINC000453367237 388061014 /nfs/dbraw/zinc/06/10/14/388061014.db2.gz PVVLARIIEFLUOO-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccccc2)CC1 ZINC000083853502 388063044 /nfs/dbraw/zinc/06/30/44/388063044.db2.gz VIDBZEXWLDJUKT-UHFFFAOYSA-N 1 0 200.285 2.470 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccncc1 ZINC000453380282 388065631 /nfs/dbraw/zinc/06/56/31/388065631.db2.gz ZRKUCFAKTFUSBZ-BNOWGMLFSA-N 1 0 232.327 2.466 20 30 BEEDRO CC1(C)C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CCO1 ZINC000453412685 388077132 /nfs/dbraw/zinc/07/71/32/388077132.db2.gz IXWIHYLEXMMTDL-XQQFMLRXSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)O1 ZINC000453411290 388077593 /nfs/dbraw/zinc/07/75/93/388077593.db2.gz QRNFRESXZVNQOW-MROQNXINSA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1(C)C ZINC000447584458 388080705 /nfs/dbraw/zinc/08/07/05/388080705.db2.gz FWTNNLCVSIXEFH-ZDEQEGDKSA-N 1 0 236.359 2.472 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1(C)C ZINC000447584457 388080822 /nfs/dbraw/zinc/08/08/22/388080822.db2.gz FWTNNLCVSIXEFH-QNWHQSFQSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1=CCCC1 ZINC000645925476 388085676 /nfs/dbraw/zinc/08/56/76/388085676.db2.gz SSNOREAJSAUCOA-OLZOCXBDSA-N 1 0 207.317 2.420 20 30 BEEDRO C=CCNC(=O)C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000194548836 388087209 /nfs/dbraw/zinc/08/72/09/388087209.db2.gz FWWCXOXXCFWKAP-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO C[C@@H]([NH2+]CCn1cccn1)c1cccc(C#N)c1 ZINC000042539589 388097547 /nfs/dbraw/zinc/09/75/47/388097547.db2.gz YSADIFWMBWTODE-GFCCVEGCSA-N 1 0 240.310 2.106 20 30 BEEDRO C=CC[N@H+](C1CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000447888345 388098884 /nfs/dbraw/zinc/09/88/84/388098884.db2.gz JOSJJUPDMMCSTD-ZDUSSCGKSA-N 1 0 236.359 2.036 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH+](CC)CC ZINC000424536699 388102806 /nfs/dbraw/zinc/10/28/06/388102806.db2.gz OZWCCIVKMFEGAW-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1O)c1ccc(C#N)cc1 ZINC000249382823 388109743 /nfs/dbraw/zinc/10/97/43/388109743.db2.gz UWROLDCFWPDYFB-LEWSCRJBSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000424545017 388113184 /nfs/dbraw/zinc/11/31/84/388113184.db2.gz PRZXEVPRDAEQLW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C[C@H](CN)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423266467 388045103 /nfs/dbraw/zinc/04/51/03/388045103.db2.gz SCPGFIQKMIFAFK-JHJVBQTASA-N 1 0 223.364 2.032 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CN)C1CC1 ZINC000423268429 388047125 /nfs/dbraw/zinc/04/71/25/388047125.db2.gz DRCMCBNSPTVFOP-CHWSQXEVSA-N 1 0 210.365 2.448 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)C1CCC1 ZINC000449198859 388156942 /nfs/dbraw/zinc/15/69/42/388156942.db2.gz AERJSOMGQUTBNB-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)C1CCC1 ZINC000449198860 388157092 /nfs/dbraw/zinc/15/70/92/388157092.db2.gz AERJSOMGQUTBNB-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO COc1cc(F)cc(C[NH2+]CCCC#N)c1 ZINC000449236659 388160238 /nfs/dbraw/zinc/16/02/38/388160238.db2.gz YRLQJFNEHKRSTR-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccnn1C1CCCC1 ZINC000449234126 388160324 /nfs/dbraw/zinc/16/03/24/388160324.db2.gz AUCYZXCEVLXGPR-GFCCVEGCSA-N 1 0 249.358 2.025 20 30 BEEDRO CC[C@@H](CC#N)NCc1ccncc1F ZINC000449242090 388160841 /nfs/dbraw/zinc/16/08/41/388160841.db2.gz DMFINRKHYKWONI-JTQLQIEISA-N 1 0 207.252 2.003 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCO1 ZINC000449247866 388160849 /nfs/dbraw/zinc/16/08/49/388160849.db2.gz HGCAGWRUGYFTBS-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449243564 388161571 /nfs/dbraw/zinc/16/15/71/388161571.db2.gz LSRRBROIXSUQFJ-JQWIXIFHSA-N 1 0 206.289 2.492 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C(=O)NCC ZINC000449249722 388162788 /nfs/dbraw/zinc/16/27/88/388162788.db2.gz JWFKMHPKURLQCC-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)C(=O)N(C)C ZINC000449284369 388167658 /nfs/dbraw/zinc/16/76/58/388167658.db2.gz NZCKYJIRHYSSJF-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1c(C)nnn1CC ZINC000449288086 388168008 /nfs/dbraw/zinc/16/80/08/388168008.db2.gz MHTBMVWHDAHIBC-LBPRGKRZSA-N 1 0 234.347 2.147 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1c(C)nnn1CC ZINC000449303414 388169527 /nfs/dbraw/zinc/16/95/27/388169527.db2.gz MBUBBDWUBWXNDQ-NSHDSACASA-N 1 0 222.336 2.051 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449321915 388171515 /nfs/dbraw/zinc/17/15/15/388171515.db2.gz VEKMOQQIPVTNHU-IYXRBSQSSA-N 1 0 238.375 2.313 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)[C@H](CC)CO)cc1 ZINC000449378496 388188214 /nfs/dbraw/zinc/18/82/14/388188214.db2.gz WZQFHWOWGDZJSB-CQSZACIVSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC(CSC)CC1 ZINC000449328077 388173403 /nfs/dbraw/zinc/17/34/03/388173403.db2.gz HZFONBPPDAESDC-MOENNCHZSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000448953197 388122991 /nfs/dbraw/zinc/12/29/91/388122991.db2.gz HLOQOGSKQSUDHA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOCC[NH2+]C1(c2ccccc2OC)CC1 ZINC000646001608 388123001 /nfs/dbraw/zinc/12/30/01/388123001.db2.gz VVXIUANPNVSFEJ-UHFFFAOYSA-N 1 0 247.338 2.477 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1nnc2n1CCC2 ZINC000449071230 388138719 /nfs/dbraw/zinc/13/87/19/388138719.db2.gz GSSDOZBJFNUASW-LBPRGKRZSA-N 1 0 248.374 2.449 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000449093327 388141189 /nfs/dbraw/zinc/14/11/89/388141189.db2.gz VNFFJGLNBMNGIL-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)Cn1cncn1 ZINC000449099495 388142351 /nfs/dbraw/zinc/14/23/51/388142351.db2.gz NUHYTGYCTQMLAA-OLZOCXBDSA-N 1 0 236.363 2.391 20 30 BEEDRO C=CCOCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646097515 388142757 /nfs/dbraw/zinc/14/27/57/388142757.db2.gz XBNMOTJMQNHVJA-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO CO[C@H](C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111498 388143838 /nfs/dbraw/zinc/14/38/38/388143838.db2.gz MNFWJNPFLQMSGU-PNESKVBLSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](CCO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449161554 388151073 /nfs/dbraw/zinc/15/10/73/388151073.db2.gz PHKHGZMXONBJEN-HIFPTAJRSA-N 1 0 224.348 2.209 20 30 BEEDRO COC[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449188402 388155061 /nfs/dbraw/zinc/15/50/61/388155061.db2.gz LNUSIPHSTUZXNQ-MOKVOYLWSA-N 1 0 236.359 2.473 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCc1ccc(C)nc1 ZINC000490740070 388251901 /nfs/dbraw/zinc/25/19/01/388251901.db2.gz MFYNBHMISSBEGW-CYBMUJFWSA-N 1 0 216.328 2.276 20 30 BEEDRO C#CC[N@H+](Cc1ccno1)C1CCCCC1 ZINC000490840542 388256002 /nfs/dbraw/zinc/25/60/02/388256002.db2.gz OPCWXXLKWKWFBA-UHFFFAOYSA-N 1 0 218.300 2.443 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000167713795 388256781 /nfs/dbraw/zinc/25/67/81/388256781.db2.gz JSNUHBWRNNOODY-XQHKEYJVSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H](C)c1ccccc1 ZINC000194673098 388258506 /nfs/dbraw/zinc/25/85/06/388258506.db2.gz IEWXACPZXLNHSI-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449449409 388209331 /nfs/dbraw/zinc/20/93/31/388209331.db2.gz LGLBTSKNIPVIAH-UTUOFQBUSA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449449410 388209550 /nfs/dbraw/zinc/20/95/50/388209550.db2.gz LGLBTSKNIPVIAH-WOPDTQHZSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCCCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489377835 388209717 /nfs/dbraw/zinc/20/97/17/388209717.db2.gz SJZQLDZGZCANIB-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000489377838 388210030 /nfs/dbraw/zinc/21/00/30/388210030.db2.gz SJZQLDZGZCANIB-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCOC[C@@H]1OC ZINC000449462602 388212253 /nfs/dbraw/zinc/21/22/53/388212253.db2.gz UMAWBUNLKGGDBG-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ncc(C)n1C ZINC000449483894 388216189 /nfs/dbraw/zinc/21/61/89/388216189.db2.gz DEMVKEDTWYETPY-UHFFFAOYSA-N 1 0 207.321 2.030 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc2cnccn12 ZINC000449486182 388216908 /nfs/dbraw/zinc/21/69/08/388216908.db2.gz QUNDUVLPCIIPIP-UHFFFAOYSA-N 1 0 230.315 2.031 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC(F)(F)F ZINC000489473926 388216975 /nfs/dbraw/zinc/21/69/75/388216975.db2.gz JKTQILVOGFBIFX-ZJUUUORDSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C(CC)C[N@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000489470574 388217002 /nfs/dbraw/zinc/21/70/02/388217002.db2.gz GBSUHAWUZPFRKL-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000449487526 388216981 /nfs/dbraw/zinc/21/69/81/388216981.db2.gz YVDPOYAGLJFVOE-UHFFFAOYSA-N 1 0 249.358 2.018 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449518240 388222781 /nfs/dbraw/zinc/22/27/81/388222781.db2.gz IULZTSNDNFTWKN-FQUUOJAGSA-N 1 0 221.344 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000449524325 388224380 /nfs/dbraw/zinc/22/43/80/388224380.db2.gz ZQLHIJSMROOZPE-OLZOCXBDSA-N 1 0 221.275 2.259 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@H]1CC ZINC000449546246 388228784 /nfs/dbraw/zinc/22/87/84/388228784.db2.gz BDCNXKSHXVFAJY-LPWJVIDDSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000449547797 388229548 /nfs/dbraw/zinc/22/95/48/388229548.db2.gz JQDAFDHQHNKXML-VEGXAWMVSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CC1CC1 ZINC000449548518 388229589 /nfs/dbraw/zinc/22/95/89/388229589.db2.gz OCGQVALMZATZKZ-UHTWSYAYSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C)cs1 ZINC000449548829 388229762 /nfs/dbraw/zinc/22/97/62/388229762.db2.gz RCOJFCIMBMAJFP-MNOVXSKESA-N 1 0 238.356 2.275 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000449548272 388229876 /nfs/dbraw/zinc/22/98/76/388229876.db2.gz MEJGGLOQTDCLSI-CABCVRRESA-N 1 0 242.322 2.381 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000449549248 388230055 /nfs/dbraw/zinc/23/00/55/388230055.db2.gz WDPCUDWDONWZJU-CABCVRRESA-N 1 0 242.322 2.381 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H](C)N(C)C)c1 ZINC000449558597 388231725 /nfs/dbraw/zinc/23/17/25/388231725.db2.gz YIQHLYRCUVPWOZ-ZDUSSCGKSA-N 1 0 248.370 2.291 20 30 BEEDRO C[C@@H](NCCC[NH+](C)C)c1cccc(C#N)c1 ZINC000037213738 388237880 /nfs/dbraw/zinc/23/78/80/388237880.db2.gz RDFPJLYNVOOESP-GFCCVEGCSA-N 1 0 231.343 2.161 20 30 BEEDRO C[C@@H]([NH2+]CCN1CCCC1)c1cccc(C#N)c1 ZINC000037228741 388238351 /nfs/dbraw/zinc/23/83/51/388238351.db2.gz SFPBOKHRFDPWRI-CYBMUJFWSA-N 1 0 243.354 2.305 20 30 BEEDRO CCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)COC1 ZINC000449596712 388238393 /nfs/dbraw/zinc/23/83/93/388238393.db2.gz CFKIDLXZXBRSSO-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(C)c(OC)c(C)c1 ZINC000490606395 388242661 /nfs/dbraw/zinc/24/26/61/388242661.db2.gz ZCIIGXDHXXHBLU-UHFFFAOYSA-N 1 0 217.312 2.377 20 30 BEEDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000037267154 388243168 /nfs/dbraw/zinc/24/31/68/388243168.db2.gz ZCJQZCWMSCOCLQ-GFCCVEGCSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451572080 388282473 /nfs/dbraw/zinc/28/24/73/388282473.db2.gz XCALRXHWCODAQZ-STQMWFEESA-N 1 0 241.375 2.060 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccnc1 ZINC000451605899 388283411 /nfs/dbraw/zinc/28/34/11/388283411.db2.gz LAMRAKZSFTXNLX-RTXFEEFZSA-N 1 0 218.300 2.076 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC)C(C)C ZINC000491297228 388283397 /nfs/dbraw/zinc/28/33/97/388283397.db2.gz PIWUSWRUASONTI-QNWHQSFQSA-N 1 0 241.400 2.143 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccncc1 ZINC000451608811 388284121 /nfs/dbraw/zinc/28/41/21/388284121.db2.gz UFEYLNFGJRCTMF-RTXFEEFZSA-N 1 0 218.300 2.076 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451613964 388284318 /nfs/dbraw/zinc/28/43/18/388284318.db2.gz NYUWVRGQKLXDHX-STQMWFEESA-N 1 0 213.365 2.441 20 30 BEEDRO C=CCC[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C ZINC000451617869 388284620 /nfs/dbraw/zinc/28/46/20/388284620.db2.gz VBERYPFZWOCQCU-OLZOCXBDSA-N 1 0 213.365 2.441 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000491327667 388285746 /nfs/dbraw/zinc/28/57/46/388285746.db2.gz XMMWVQKFBPOJST-CYBMUJFWSA-N 1 0 242.322 2.281 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc2cccnc2o1 ZINC000491371709 388288949 /nfs/dbraw/zinc/28/89/49/388288949.db2.gz GNIISUCMHKCGFD-LLVKDONJSA-N 1 0 214.268 2.329 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1CC(OCC)C1 ZINC000451684548 388289556 /nfs/dbraw/zinc/28/95/56/388289556.db2.gz VLIZLDJOFYOEGT-PQAZSJQKSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC1(OC)CCC1 ZINC000451686049 388289887 /nfs/dbraw/zinc/28/98/87/388289887.db2.gz ZXTCCTVUMCDPBX-OLZOCXBDSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451700171 388291175 /nfs/dbraw/zinc/29/11/75/388291175.db2.gz FVHWKDUWCGQRLQ-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451720237 388291547 /nfs/dbraw/zinc/29/15/47/388291547.db2.gz XWXJHVSQRFONNF-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCO[C@@H](CC)C1)C1CC1 ZINC000491427356 388291872 /nfs/dbraw/zinc/29/18/72/388291872.db2.gz KNIVATPPHDZAJF-OCCSQVGLSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCCC[N@@H+]1CC[S@@](=O)C(C)(C)CC1 ZINC000451751053 388293647 /nfs/dbraw/zinc/29/36/47/388293647.db2.gz AMBDCJTXWLKGTL-OAHLLOKOSA-N 1 0 229.389 2.186 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000491438962 388294833 /nfs/dbraw/zinc/29/48/33/388294833.db2.gz HDSCNFVFLUOYPC-MFKMUULPSA-N 1 0 237.730 2.327 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000451838793 388299928 /nfs/dbraw/zinc/29/99/28/388299928.db2.gz JGXCPTIXIQFOBX-NSHDSACASA-N 1 0 226.364 2.044 20 30 BEEDRO C#C[C@H]([NH2+]CCC(=O)Nc1ccccc1)C(C)C ZINC000491513945 388300030 /nfs/dbraw/zinc/30/00/30/388300030.db2.gz FJNUEAAMXYJHIQ-AWEZNQCLSA-N 1 0 244.338 2.263 20 30 BEEDRO CO[C@@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854780 388301343 /nfs/dbraw/zinc/30/13/43/388301343.db2.gz RJDKKANWTWXJGP-NWDGAFQWSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451852980 388301534 /nfs/dbraw/zinc/30/15/34/388301534.db2.gz OTPOVBCHALGIMY-NEPJUHHUSA-N 1 0 209.333 2.452 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000491616978 388304990 /nfs/dbraw/zinc/30/49/90/388304990.db2.gz BMUNRKOVHQUUJE-NEPJUHHUSA-N 1 0 232.327 2.023 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000491621862 388305390 /nfs/dbraw/zinc/30/53/90/388305390.db2.gz GZFUISUACPHJOT-HUUCEWRRSA-N 1 0 234.387 2.110 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000093492119 256637577 /nfs/dbraw/zinc/63/75/77/256637577.db2.gz XTVJXKQIFHMCJG-GFCCVEGCSA-N 1 0 249.383 2.194 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000491654089 388308381 /nfs/dbraw/zinc/30/83/81/388308381.db2.gz OZSKRCJLWHLTLR-JTQLQIEISA-N 1 0 248.282 2.057 20 30 BEEDRO C#CC[N@@H+](CCC[C@H](C)O)C1CCCCC1 ZINC000491659103 388308957 /nfs/dbraw/zinc/30/89/57/388308957.db2.gz KTBSABGSOJIZOQ-ZDUSSCGKSA-N 1 0 223.360 2.415 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000491679629 388310452 /nfs/dbraw/zinc/31/04/52/388310452.db2.gz GEEBLOQEJUFSDR-LLVKDONJSA-N 1 0 248.301 2.108 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000491697214 388312146 /nfs/dbraw/zinc/31/21/46/388312146.db2.gz ZRMVOMRGVMFXMG-NSHDSACASA-N 1 0 247.729 2.489 20 30 BEEDRO C#C[C@@H](CCC)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000491697924 388312198 /nfs/dbraw/zinc/31/21/98/388312198.db2.gz RWBXRPMWHOKPME-QWHCGFSZSA-N 1 0 238.375 2.025 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)[C@H](C)c1ccccc1)C1CC1 ZINC000491700630 388312518 /nfs/dbraw/zinc/31/25/18/388312518.db2.gz GMOQNAPCRMHEQX-CJNGLKHVSA-N 1 0 243.350 2.249 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000491700466 388312751 /nfs/dbraw/zinc/31/27/51/388312751.db2.gz KHGCEXBJMBGMDR-ZDUSSCGKSA-N 1 0 231.343 2.039 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)C(C)C ZINC000491705249 388313101 /nfs/dbraw/zinc/31/31/01/388313101.db2.gz LOITUBZZMJAOMO-CVEARBPZSA-N 1 0 245.366 2.228 20 30 BEEDRO C#C[C@H]1COCCN1C[C@H]1CCCCC1(F)F ZINC000491711321 388313802 /nfs/dbraw/zinc/31/38/02/388313802.db2.gz WCGDEMJBPYXTLN-NEPJUHHUSA-N 1 0 243.297 2.146 20 30 BEEDRO C#CC[N@@H+](CCC[C@H](C)O)Cc1ccc(F)cc1 ZINC000491713339 388313995 /nfs/dbraw/zinc/31/39/95/388313995.db2.gz ZZKBTVOLXWOOMW-ZDUSSCGKSA-N 1 0 249.329 2.422 20 30 BEEDRO C#CCN(Cc1nc(C#N)cs1)C1CCCC1 ZINC000491713124 388314022 /nfs/dbraw/zinc/31/40/22/388314022.db2.gz BRBHAUWCAAHWFX-UHFFFAOYSA-N 1 0 245.351 2.393 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc2cccc(C)n12 ZINC000491716407 388314337 /nfs/dbraw/zinc/31/43/37/388314337.db2.gz NFPRXCVUDUJSGG-GFCCVEGCSA-N 1 0 227.311 2.144 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000491726589 388315256 /nfs/dbraw/zinc/31/52/56/388315256.db2.gz KDEWSTYYZWKDNP-CYBMUJFWSA-N 1 0 243.354 2.135 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1N(C)C)C1CC1 ZINC000491733850 388316128 /nfs/dbraw/zinc/31/61/28/388316128.db2.gz KTOZDKRANMXDMT-UHFFFAOYSA-N 1 0 228.339 2.350 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c[nH]nc1C(C)(C)C)C(C)C ZINC000491749343 388317546 /nfs/dbraw/zinc/31/75/46/388317546.db2.gz QNEVQQKEBGHFLL-LBPRGKRZSA-N 1 0 233.359 2.455 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000491754199 388318143 /nfs/dbraw/zinc/31/81/43/388318143.db2.gz RPTVGKJVYYYMLC-GFCCVEGCSA-N 1 0 217.312 2.463 20 30 BEEDRO C#C[C@@H](C)N(C)CC(=O)Nc1cc(C)ccc1C ZINC000491760675 388318677 /nfs/dbraw/zinc/31/86/77/388318677.db2.gz SBZIBHNSETYBPV-CYBMUJFWSA-N 1 0 244.338 2.195 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cncn1CC)C(C)(C)C ZINC000491771849 388319262 /nfs/dbraw/zinc/31/92/62/388319262.db2.gz RNVJGDGLKZXNIB-GFCCVEGCSA-N 1 0 219.332 2.041 20 30 BEEDRO C#CCN(CC#CC)Cc1ccoc1C ZINC000491776882 388319836 /nfs/dbraw/zinc/31/98/36/388319836.db2.gz YZIPRTOEXIASEK-UHFFFAOYSA-N 1 0 201.269 2.047 20 30 BEEDRO C#CC[N@@H+](C)[C@H](CCOC)c1ccccc1 ZINC000491776518 388319912 /nfs/dbraw/zinc/31/99/12/388319912.db2.gz WDNRWILEQQXVRL-CQSZACIVSA-N 1 0 217.312 2.329 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccc(C)cc1)C(C)C ZINC000491790674 388321330 /nfs/dbraw/zinc/32/13/30/388321330.db2.gz ZZPDQOBTWCJDOA-LSDHHAIUSA-N 1 0 231.339 2.276 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000491802802 388321654 /nfs/dbraw/zinc/32/16/54/388321654.db2.gz HBAJDTFKTZOMAE-JTQLQIEISA-N 1 0 243.310 2.432 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1cccc(C)n1 ZINC000491819165 388323711 /nfs/dbraw/zinc/32/37/11/388323711.db2.gz MWGJXOSINWFDRE-UHFFFAOYSA-N 1 0 216.328 2.276 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C\C2CC2)CC1 ZINC000491922995 388328000 /nfs/dbraw/zinc/32/80/00/388328000.db2.gz ACRLXBXAWHKKAS-WAYWQWQTSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CC[C@@H](C)C2)CC1 ZINC000490950395 388261621 /nfs/dbraw/zinc/26/16/21/388261621.db2.gz QFUIOFWYKQPNEA-TZMCWYRMSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1ccccn1 ZINC000451366982 388265578 /nfs/dbraw/zinc/26/55/78/388265578.db2.gz KHMSNHFRIIITDS-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C#CC[N@@H+](CCC1(O)CC1)Cc1ccccc1 ZINC000491126709 388271793 /nfs/dbraw/zinc/27/17/93/388271793.db2.gz RDCVJCJJCRRJHU-UHFFFAOYSA-N 1 0 229.323 2.037 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000451486568 388277392 /nfs/dbraw/zinc/27/73/92/388277392.db2.gz JZRLJGLXJZOCSA-OBJOEFQTSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000451485968 388277542 /nfs/dbraw/zinc/27/75/42/388277542.db2.gz JKLLTYLTBNCOEW-JSGCOSHPSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000451485967 388277573 /nfs/dbraw/zinc/27/75/73/388277573.db2.gz JKLLTYLTBNCOEW-GXTWGEPZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000451497781 388277779 /nfs/dbraw/zinc/27/77/79/388277779.db2.gz KBJPDSQUSXDMGC-XQQFMLRXSA-N 1 0 241.375 2.228 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCCC#N)CC1(C)C ZINC000451545789 388280506 /nfs/dbraw/zinc/28/05/06/388280506.db2.gz ARYCJOTUPCFGLS-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1OCC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272310343 388404012 /nfs/dbraw/zinc/40/40/12/388404012.db2.gz SXAQQNIHEMBRFA-RISCZKNCSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275682900 388344916 /nfs/dbraw/zinc/34/49/16/388344916.db2.gz IFKNPKHDMLTZRO-GARJFASQSA-N 1 0 222.336 2.066 20 30 BEEDRO Cc1nnc(C)n1[NH+]=C/C=C\c1ccccc1 ZINC000254625867 388347768 /nfs/dbraw/zinc/34/77/68/388347768.db2.gz ZYMVGGLXPWXMSZ-OAOWJTDASA-N 1 0 226.283 2.442 20 30 BEEDRO C[NH+](C)C1(CNc2cccnc2C#N)CCCC1 ZINC000132802514 388370026 /nfs/dbraw/zinc/37/00/26/388370026.db2.gz FKCRNZHWMBFOGD-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C)C1 ZINC000271005962 388370283 /nfs/dbraw/zinc/37/02/83/388370283.db2.gz GWLCQBFAQSXLGV-NSHDSACASA-N 1 0 230.311 2.409 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000594914058 388373712 /nfs/dbraw/zinc/37/37/12/388373712.db2.gz CDUOTDMKNAFATG-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000271169594 388375096 /nfs/dbraw/zinc/37/50/96/388375096.db2.gz IODNLBOCXWVCNJ-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000572830043 388379439 /nfs/dbraw/zinc/37/94/39/388379439.db2.gz XSYGPEKWVULOBV-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000572830046 388379797 /nfs/dbraw/zinc/37/97/97/388379797.db2.gz XSYGPEKWVULOBV-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)[C@@H]1C ZINC000595506107 388387558 /nfs/dbraw/zinc/38/75/58/388387558.db2.gz ZKIBCBHGHRRQFQ-VXGBXAGGSA-N 1 0 214.312 2.441 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595506105 388387948 /nfs/dbraw/zinc/38/79/48/388387948.db2.gz ZKIBCBHGHRRQFQ-NWDGAFQWSA-N 1 0 214.312 2.441 20 30 BEEDRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164569550 388394411 /nfs/dbraw/zinc/39/44/11/388394411.db2.gz BCIXFDWSEWLNGL-TUAOUCFPSA-N 1 0 232.327 2.226 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000164687820 388397254 /nfs/dbraw/zinc/39/72/54/388397254.db2.gz JNKDIBVYZQREMR-VXGBXAGGSA-N 1 0 224.348 2.329 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]CCCC(C)(C)C#N ZINC000308632562 388446263 /nfs/dbraw/zinc/44/62/63/388446263.db2.gz QQLCYQKVTJTVAY-UHFFFAOYSA-N 1 0 225.380 2.246 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000515303397 256740216 /nfs/dbraw/zinc/74/02/16/256740216.db2.gz BYGYSAMBQFRXTB-GOEBONIOSA-N 1 0 245.366 2.425 20 30 BEEDRO N#CCc1ccc(C[NH+]2CCSCC2)cc1 ZINC000335989965 388454875 /nfs/dbraw/zinc/45/48/75/388454875.db2.gz PTHBGDNFUZJVNU-UHFFFAOYSA-N 1 0 232.352 2.301 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C1CCOCC1 ZINC000515337240 256741379 /nfs/dbraw/zinc/74/13/79/256741379.db2.gz NJPOQSLKLSXRAX-MJBXVCDLSA-N 1 0 239.359 2.125 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000309711740 388461989 /nfs/dbraw/zinc/46/19/89/388461989.db2.gz QVKIDMUUNPGRCJ-NSHDSACASA-N 1 0 213.284 2.064 20 30 BEEDRO C[NH+](C)CCc1ccccc1NCCC#N ZINC000515639472 256751870 /nfs/dbraw/zinc/75/18/70/256751870.db2.gz SDYLAGZRDWMNFG-UHFFFAOYSA-N 1 0 217.316 2.116 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](CC)Cc1ccc(OC)cc1 ZINC000649249360 388468715 /nfs/dbraw/zinc/46/87/15/388468715.db2.gz XBVMGQGIFSSDFV-OAHLLOKOSA-N 1 0 249.354 2.454 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000170821119 388468771 /nfs/dbraw/zinc/46/87/71/388468771.db2.gz QVRFBAMOISMNIO-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000170821117 388469213 /nfs/dbraw/zinc/46/92/13/388469213.db2.gz QVRFBAMOISMNIO-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnn(CC(C)C)c1 ZINC000310018616 388473012 /nfs/dbraw/zinc/47/30/12/388473012.db2.gz MBHUUSXZYYKPST-ZDUSSCGKSA-N 1 0 219.332 2.041 20 30 BEEDRO CC(C)C[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000338943676 388478022 /nfs/dbraw/zinc/47/80/22/388478022.db2.gz GVIHUXIGPVQYJK-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)O)c1cccc(C#N)c1 ZINC000271858355 388409771 /nfs/dbraw/zinc/40/97/71/388409771.db2.gz SUGGLKABZGBFFG-NSHDSACASA-N 1 0 232.327 2.370 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCOC(F)F)c1 ZINC000193660973 388409992 /nfs/dbraw/zinc/40/99/92/388409992.db2.gz QREDRVBRQXNWSM-UHFFFAOYSA-N 1 0 246.282 2.339 20 30 BEEDRO Cc1cc(C[NH2+]Cc2ccn(C)c2)ccc1C#N ZINC000443991235 388421309 /nfs/dbraw/zinc/42/13/09/388421309.db2.gz SWCJLWUYMIKEAT-UHFFFAOYSA-N 1 0 239.322 2.495 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@H]2CCOC2)ccc1C#N ZINC000443996584 388424441 /nfs/dbraw/zinc/42/44/41/388424441.db2.gz UQUGFFFSXPIGQX-ZDUSSCGKSA-N 1 0 244.338 2.383 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443994712 388425881 /nfs/dbraw/zinc/42/58/81/388425881.db2.gz OYBIPWKXQLFSHH-IAQYHMDHSA-N 1 0 246.354 2.363 20 30 BEEDRO Cc1cc(C[NH2+]C(C)(C)CCO)ccc1C#N ZINC000443995355 388425973 /nfs/dbraw/zinc/42/59/73/388425973.db2.gz HDUFRZIIWUPFGI-UHFFFAOYSA-N 1 0 232.327 2.117 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)C1CCCC1 ZINC000339086318 388479857 /nfs/dbraw/zinc/47/98/57/388479857.db2.gz PXSQEUZBDZRJSZ-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@@H](CC)CC#N ZINC000573217962 388433383 /nfs/dbraw/zinc/43/33/83/388433383.db2.gz VRYOMLIUJHXCQX-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000174134733 388435644 /nfs/dbraw/zinc/43/56/44/388435644.db2.gz ZJURRFGRKIIFLC-JSGCOSHPSA-N 1 0 248.326 2.444 20 30 BEEDRO C=CCCC(=O)N(CC)C[C@@H]1CCC[N@@H+]1CC ZINC000548453998 388539196 /nfs/dbraw/zinc/53/91/96/388539196.db2.gz HRINKFIMCNWDQG-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)CC(C)(C)C#N ZINC000517154329 388540072 /nfs/dbraw/zinc/54/00/72/388540072.db2.gz PPZKDANJPROZLG-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO CC#CCC[NH+]1CCC(CCOC)CC1 ZINC000528577827 388547907 /nfs/dbraw/zinc/54/79/07/388547907.db2.gz RHUOQMKYGVGHAM-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397810991 388501871 /nfs/dbraw/zinc/50/18/71/388501871.db2.gz OGHKSZYHJARIRT-QJPTWQEYSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H]1CC(C)(C)C[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528524836 388502110 /nfs/dbraw/zinc/50/21/10/388502110.db2.gz LTOPWXQTHIFEOS-NWDGAFQWSA-N 1 0 236.359 2.162 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312282537 388511073 /nfs/dbraw/zinc/51/10/73/388511073.db2.gz ZDKDGRCHNHMECV-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C[C@H]1C ZINC000528430853 388524449 /nfs/dbraw/zinc/52/44/49/388524449.db2.gz LPQNQQAARCTHIF-UPJWGTAASA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C[C@H]1C ZINC000528430851 388525136 /nfs/dbraw/zinc/52/51/36/388525136.db2.gz LPQNQQAARCTHIF-JHJVBQTASA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1snnc1C ZINC000516972685 388529304 /nfs/dbraw/zinc/52/93/04/388529304.db2.gz GJVZJABAGPLIAN-UHFFFAOYSA-N 1 0 211.334 2.245 20 30 BEEDRO CO[C@H](C)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272872534 388530389 /nfs/dbraw/zinc/53/03/89/388530389.db2.gz AVYLJECIFARARZ-LLVKDONJSA-N 1 0 230.311 2.172 20 30 BEEDRO N#CCC[C@H](C#N)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000108102786 388586287 /nfs/dbraw/zinc/58/62/87/388586287.db2.gz BFIPNKRSFRHIPX-JHJVBQTASA-N 1 0 217.316 2.162 20 30 BEEDRO CC1CC([NH2+]CCOc2ccc(C#N)cc2)C1 ZINC000184410101 256845206 /nfs/dbraw/zinc/84/52/06/256845206.db2.gz IZVARRNFYVWFSP-UHFFFAOYSA-N 1 0 230.311 2.325 20 30 BEEDRO C=CC[NH2+][C@@H](C)C1CCN(C(=O)OCC)CC1 ZINC000186410030 388600070 /nfs/dbraw/zinc/60/00/70/388600070.db2.gz GMPMFOUVOZETFY-NSHDSACASA-N 1 0 240.347 2.019 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC1(C)C ZINC000328319359 388603198 /nfs/dbraw/zinc/60/31/98/388603198.db2.gz YSZJIBOIHTXJRH-ZDUSSCGKSA-N 1 0 222.376 2.110 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000037738981 388603236 /nfs/dbraw/zinc/60/32/36/388603236.db2.gz AHPYGYUWEFLEDC-DGCLKSJQSA-N 1 0 230.311 2.245 20 30 BEEDRO Cc1ccnc(N[C@@H]2CCC[C@H]2[NH+](C)C)c1C#N ZINC000357777665 388617983 /nfs/dbraw/zinc/61/79/83/388617983.db2.gz FSQYKGSZGWQJQL-CHWSQXEVSA-N 1 0 244.342 2.156 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCOC1 ZINC000355778916 388604737 /nfs/dbraw/zinc/60/47/37/388604737.db2.gz MYVFKRGDKNUDML-QWRGUYRKSA-N 1 0 234.299 2.056 20 30 BEEDRO CC[N@H+](CCNc1cccnc1C#N)C(C)C ZINC000357275517 388613146 /nfs/dbraw/zinc/61/31/46/388613146.db2.gz HLKBELZNIRVUAH-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186792927 256866798 /nfs/dbraw/zinc/86/67/98/256866798.db2.gz JSNUHBWRNNOODY-WUHRBBMRSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@@H](COCC)C1 ZINC000528725306 388561742 /nfs/dbraw/zinc/56/17/42/388561742.db2.gz PYBLQRVUJLPUGJ-UONOGXRCSA-N 1 0 241.375 2.469 20 30 BEEDRO C[C@H](Nc1ncccc1C#N)C1=CC[N@H+](C)CC1 ZINC000272935235 388572658 /nfs/dbraw/zinc/57/26/58/388572658.db2.gz LINKPTBZZLMFLA-NSHDSACASA-N 1 0 242.326 2.016 20 30 BEEDRO Cc1cc(C[N@H+](C)C[C@H]2CCOC2)ccc1C#N ZINC000488468970 388579955 /nfs/dbraw/zinc/57/99/55/388579955.db2.gz YQBCOVIIRWPLCK-CQSZACIVSA-N 1 0 244.338 2.335 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000521255177 256838664 /nfs/dbraw/zinc/83/86/64/256838664.db2.gz ZVTIBRCXKPELKP-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000552080223 388666928 /nfs/dbraw/zinc/66/69/28/388666928.db2.gz UEVYRYHYPPIYTG-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000112379686 388667523 /nfs/dbraw/zinc/66/75/23/388667523.db2.gz AKQGUFGQDVEILU-SWLSCSKDSA-N 1 0 246.354 2.445 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000552080215 388667755 /nfs/dbraw/zinc/66/77/55/388667755.db2.gz SKZAHIGXNNZVHW-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO CN(CC[NH+]1CCCC1)c1cccc(F)c1C#N ZINC000112671537 388668642 /nfs/dbraw/zinc/66/86/42/388668642.db2.gz YRHSBQUHSFHXHJ-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000272807455 388672233 /nfs/dbraw/zinc/67/22/33/388672233.db2.gz MHXSNKINHNEDCO-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO C[C@@H](CNc1c(C#N)cccc1C#N)C[NH+](C)C ZINC000489026213 388672936 /nfs/dbraw/zinc/67/29/36/388672936.db2.gz PBQXZNONYLJDAQ-NSHDSACASA-N 1 0 242.326 2.040 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](O)CC ZINC000313158144 388681487 /nfs/dbraw/zinc/68/14/87/388681487.db2.gz OVSUSIOWDNNFEQ-KGLIPLIRSA-N 1 0 232.327 2.197 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000313130336 388682015 /nfs/dbraw/zinc/68/20/15/388682015.db2.gz BQSFEMCXOWGTCK-RYUDHWBXSA-N 1 0 238.356 2.259 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCCC(C)C ZINC000125943613 388683475 /nfs/dbraw/zinc/68/34/75/388683475.db2.gz SLKJIAMMQQRBAO-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@H](O)[C@H](C)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000554375539 388622877 /nfs/dbraw/zinc/62/28/77/388622877.db2.gz QYLMKFMJZMDITR-ZIBATOQPSA-N 1 0 244.338 2.295 20 30 BEEDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000358588553 388624410 /nfs/dbraw/zinc/62/44/10/388624410.db2.gz LVQOXGKHQSSKOV-VHSXEESVSA-N 1 0 236.290 2.383 20 30 BEEDRO CC(C)(C)[NH2+]CCNc1c(C#N)cccc1C#N ZINC000302904233 388628561 /nfs/dbraw/zinc/62/85/61/388628561.db2.gz UZOVEXGNTQKANI-UHFFFAOYSA-N 1 0 242.326 2.230 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CNCC[C@@H]1C ZINC000530213649 388629536 /nfs/dbraw/zinc/62/95/36/388629536.db2.gz ULVYVXYIZCPJSY-RYUDHWBXSA-N 1 0 210.365 2.176 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(C#N)c1 ZINC000230154463 388634189 /nfs/dbraw/zinc/63/41/89/388634189.db2.gz WXKHOKJWPCQHTM-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000230151653 388634639 /nfs/dbraw/zinc/63/46/39/388634639.db2.gz ASPMCMLHEGITRF-SKDRFNHKSA-N 1 0 236.340 2.277 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3n2CCCC3)C1 ZINC000551571080 388634646 /nfs/dbraw/zinc/63/46/46/388634646.db2.gz QAUMJUXXVWMAGY-VXGBXAGGSA-N 1 0 244.342 2.001 20 30 BEEDRO C[C@H](CO)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000230159813 388634991 /nfs/dbraw/zinc/63/49/91/388634991.db2.gz WKLIDKLHGWSXMZ-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCO[C@H]2C2CC2)c1 ZINC000230316423 388636605 /nfs/dbraw/zinc/63/66/05/388636605.db2.gz LTBPDCPWRRMFGW-STQMWFEESA-N 1 0 248.351 2.277 20 30 BEEDRO C#CC[N@H+](CC[C@@H]1CCCO1)C1CCCC1 ZINC000189543558 388636884 /nfs/dbraw/zinc/63/68/84/388636884.db2.gz YYMXCLKLDRHUMF-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO N#CC1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCC1 ZINC000405104019 388637591 /nfs/dbraw/zinc/63/75/91/388637591.db2.gz FUZBSSIELNJNAK-UONOGXRCSA-N 1 0 247.386 2.287 20 30 BEEDRO N#CC1(C[NH2+]Cc2ccc(CO)cc2)CCCC1 ZINC000405097051 388637862 /nfs/dbraw/zinc/63/78/62/388637862.db2.gz BEUSRKRQUIPHDY-UHFFFAOYSA-N 1 0 244.338 2.352 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc(C#N)c1 ZINC000251502686 388644216 /nfs/dbraw/zinc/64/42/16/388644216.db2.gz GHQXCKQECWWQPN-TUKIKUTGSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H](CNc1ccnc(C#N)c1)C[NH+]1CCCC1 ZINC000062075531 388649628 /nfs/dbraw/zinc/64/96/28/388649628.db2.gz PKBMOTZAZRUDOD-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO CCc1cc(NC2CCN(CC#N)CC2)cc[nH+]1 ZINC000307809628 388652441 /nfs/dbraw/zinc/65/24/41/388652441.db2.gz YWIYRIFETJGDAO-UHFFFAOYSA-N 1 0 244.342 2.044 20 30 BEEDRO CC[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C#N)cc1 ZINC000447536659 388736951 /nfs/dbraw/zinc/73/69/51/388736951.db2.gz OYTQHJQUSJRXIW-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO C[NH+](C)CCSc1ncc(C#N)cc1Cl ZINC000447648346 388737564 /nfs/dbraw/zinc/73/75/64/388737564.db2.gz ANMFOFZWUABCLN-UHFFFAOYSA-N 1 0 241.747 2.260 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000124013875 388739225 /nfs/dbraw/zinc/73/92/25/388739225.db2.gz JBALDRFIYFOMKJ-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1csc(CN2CCOC3(CCC3)C2)c1 ZINC000093640589 388745101 /nfs/dbraw/zinc/74/51/01/388745101.db2.gz GIJQRAYYIAHROA-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)O1 ZINC000449304913 388748304 /nfs/dbraw/zinc/74/83/04/388748304.db2.gz QFDDZKZLSXXSKW-JMSVASOKSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@@H](NCCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000019958432 388753102 /nfs/dbraw/zinc/75/31/02/388753102.db2.gz LCSDAUYNIGOBPK-GFCCVEGCSA-N 1 0 231.343 2.161 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000066995994 388690658 /nfs/dbraw/zinc/69/06/58/388690658.db2.gz XZMCWXMPLZMCDW-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO C[C@@H](C[NH3+])N[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423363820 388690891 /nfs/dbraw/zinc/69/08/91/388690891.db2.gz BWRLXCCTHSBERQ-XHDPSFHLSA-N 1 0 243.354 2.263 20 30 BEEDRO CCC[NH2+]CCN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423307246 388691447 /nfs/dbraw/zinc/69/14/47/388691447.db2.gz GKVRMLRBUBOQSM-NSHDSACASA-N 1 0 249.333 2.348 20 30 BEEDRO C[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423322122 388691636 /nfs/dbraw/zinc/69/16/36/388691636.db2.gz NPHHMVBAPYTKAF-OTYXRUKQSA-N 1 0 247.317 2.085 20 30 BEEDRO CCC[NH2+]CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000423312192 388691737 /nfs/dbraw/zinc/69/17/37/388691737.db2.gz RLSCCGOWUFYOMK-NSHDSACASA-N 1 0 249.333 2.348 20 30 BEEDRO CC[C@H]([NH3+])CN[C@@H](CC)c1ccc(C#N)cc1 ZINC000423455843 388692580 /nfs/dbraw/zinc/69/25/80/388692580.db2.gz DAHVGSQIZJGWEA-KBPBESRZSA-N 1 0 231.343 2.336 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000423452742 388692927 /nfs/dbraw/zinc/69/29/27/388692927.db2.gz WUJBXJWKCLPPBW-BBBLOLIVSA-N 1 0 235.306 2.084 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@H](C)c1ccc(C#N)cc1 ZINC000423377877 388693183 /nfs/dbraw/zinc/69/31/83/388693183.db2.gz KPBCZGJNCKMYHX-VXGBXAGGSA-N 1 0 231.343 2.207 20 30 BEEDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(C#N)cc1 ZINC000527762516 388701081 /nfs/dbraw/zinc/70/10/81/388701081.db2.gz DCUQOPFBMQOKHX-HIFRSBDPSA-N 1 0 242.322 2.215 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000527803015 388701120 /nfs/dbraw/zinc/70/11/20/388701120.db2.gz CGXDGEQAGCPDQQ-BSTOTGJRSA-N 1 0 234.299 2.053 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000193558003 388709091 /nfs/dbraw/zinc/70/90/91/388709091.db2.gz BUHSSKJDBRTPEO-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000533080661 388723511 /nfs/dbraw/zinc/72/35/11/388723511.db2.gz JNHHCHMVEKHLPJ-JSGCOSHPSA-N 1 0 244.338 2.151 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)cc1 ZINC000229508527 388792220 /nfs/dbraw/zinc/79/22/20/388792220.db2.gz YGOHCMFHMPEJAT-GFCCVEGCSA-N 1 0 203.285 2.197 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)ccc1F ZINC000229531474 388793881 /nfs/dbraw/zinc/79/38/81/388793881.db2.gz ZZWXLSLWJOMCFI-LLVKDONJSA-N 1 0 209.239 2.466 20 30 BEEDRO C[C@H]1OCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000229701384 388798678 /nfs/dbraw/zinc/79/86/78/388798678.db2.gz MFYKTSPZQWBXQA-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@@H+](Cc1cnoc1C)C1CCCC1 ZINC000128890648 388802565 /nfs/dbraw/zinc/80/25/65/388802565.db2.gz YEXZDTYIOMQTFO-UHFFFAOYSA-N 1 0 218.300 2.361 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000229886605 388803157 /nfs/dbraw/zinc/80/31/57/388803157.db2.gz AFTWEMDKTNVDPW-GFCCVEGCSA-N 1 0 243.310 2.480 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000229891326 388803423 /nfs/dbraw/zinc/80/34/23/388803423.db2.gz ABLMBUOPWWAFQW-LLVKDONJSA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1NC(C)=O ZINC000229894966 388803759 /nfs/dbraw/zinc/80/37/59/388803759.db2.gz JVEHRFFMZRSTRH-ZDUSSCGKSA-N 1 0 230.311 2.146 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000229965203 388806486 /nfs/dbraw/zinc/80/64/86/388806486.db2.gz GFTDANNPVCJCOM-NSHDSACASA-N 1 0 248.282 2.105 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000229960579 388807009 /nfs/dbraw/zinc/80/70/09/388807009.db2.gz CDIRZNNCNBYOBD-GFCCVEGCSA-N 1 0 216.259 2.199 20 30 BEEDRO COc1cc(C[NH2+][C@@H](C)[C@@H](C)OC)ccc1C#N ZINC000281848626 388809152 /nfs/dbraw/zinc/80/91/52/388809152.db2.gz YZIOFCRIGOTYTH-WDEREUQCSA-N 1 0 248.326 2.080 20 30 BEEDRO Cc1ccnc(NCC[NH+]2CCCCC2)c1C#N ZINC000124886900 388759461 /nfs/dbraw/zinc/75/94/61/388759461.db2.gz LJQWWLWOURXBQK-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000128483079 388764634 /nfs/dbraw/zinc/76/46/34/388764634.db2.gz DYKBGYHTHWPICN-JTQLQIEISA-N 1 0 246.310 2.244 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000280550489 388783863 /nfs/dbraw/zinc/78/38/63/388783863.db2.gz JYVZVKIMKUQKLB-ZDUSSCGKSA-N 1 0 234.299 2.152 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC12CCOCC2 ZINC000554559591 388823145 /nfs/dbraw/zinc/82/31/45/388823145.db2.gz JDMKLJKHZPSDGC-ZDUSSCGKSA-N 1 0 239.359 2.128 20 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BEEDRO C=C(C)CC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000274829522 389049707 /nfs/dbraw/zinc/04/97/07/389049707.db2.gz LSEOCVRKRKTXEJ-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc2cccnc21 ZINC000273484673 389040953 /nfs/dbraw/zinc/04/09/53/389040953.db2.gz MAMHBNVXCNJQKR-AWEZNQCLSA-N 1 0 242.322 2.261 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348236960 136061485 /nfs/dbraw/zinc/06/14/85/136061485.db2.gz YOTOZSTWVGJLHS-BDAKNGLRSA-N 1 0 218.247 2.040 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001172494841 974844755 /nfs/dbraw/zinc/84/47/55/974844755.db2.gz YKRSYGDBKJCOMV-GHMZBOCLSA-N 1 0 226.295 2.072 20 30 BEEDRO C#CC[N@H+](C[C@H]1COC2(CCCCC2)O1)C1CC1 ZINC001645708432 1172687810 /nfs/dbraw/zinc/68/78/10/1172687810.db2.gz ZJLDVIPWSCOPPE-AWEZNQCLSA-N 1 0 249.354 2.160 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000289655385 533267349 /nfs/dbraw/zinc/26/73/49/533267349.db2.gz YHEOMYWUEWWAPB-SNVBAGLBSA-N 1 0 238.312 2.404 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404069593 533264478 /nfs/dbraw/zinc/26/44/78/533264478.db2.gz LBLBBUQPNAPQDJ-STQMWFEESA-N 1 0 248.301 2.354 20 30 BEEDRO C#C[C@H](NC(=[NH2+])Nc1cccc(OC)c1)C(C)C ZINC000262234698 533278035 /nfs/dbraw/zinc/27/80/35/533278035.db2.gz XFLPYWGVZUSZJR-ZDUSSCGKSA-N 1 0 245.326 2.080 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC1CCCCC1)C(C)(C)C ZINC000262325107 533278224 /nfs/dbraw/zinc/27/82/24/533278224.db2.gz STPDNKPWNPHDIU-LBPRGKRZSA-N 1 0 235.375 2.271 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1cccc(CC)c1 ZINC000263065041 533298854 /nfs/dbraw/zinc/29/88/54/533298854.db2.gz YVPGIEZBXYSIJH-GFCCVEGCSA-N 1 0 229.327 2.387 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000290076600 533343985 /nfs/dbraw/zinc/34/39/85/533343985.db2.gz LNGZVFGWBQVFNJ-SWLSCSKDSA-N 1 0 229.323 2.325 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000351811851 533485330 /nfs/dbraw/zinc/48/53/30/533485330.db2.gz CZUBMTZUHRCFBK-NSHDSACASA-N 1 0 226.364 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BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@H](C)C1 ZINC000261975330 533510503 /nfs/dbraw/zinc/51/05/03/533510503.db2.gz FPWMHOSFSYJERS-NWDGAFQWSA-N 1 0 223.364 2.293 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000352995479 533513613 /nfs/dbraw/zinc/51/36/13/533513613.db2.gz BSMLNHCPPGCEPO-NWDGAFQWSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000362150734 533532055 /nfs/dbraw/zinc/53/20/55/533532055.db2.gz HEKDGVPQEHBMCZ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1ccc(N2CCCC[C@H]2C[NH3+])c(F)c1 ZINC000044559765 132225180 /nfs/dbraw/zinc/22/51/80/132225180.db2.gz CKWSYQDTYSZNFJ-NSHDSACASA-N 1 0 233.290 2.015 20 30 BEEDRO N#Cc1cc(Cl)ccc1N1CCC[C@H]([NH3+])C1 ZINC000052858722 132229474 /nfs/dbraw/zinc/22/94/74/132229474.db2.gz TWOBESLZARRPJF-NSHDSACASA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000070175200 132230305 /nfs/dbraw/zinc/23/03/05/132230305.db2.gz BTOSKCQUCFDXIK-MNOVXSKESA-N 1 0 247.317 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224.348 2.426 20 30 BEEDRO C=CC[NH2+][C@](C)(CC(=O)OCC)C(C)C ZINC000186692133 133443487 /nfs/dbraw/zinc/44/34/87/133443487.db2.gz IJUNHRBRLQSDGV-GFCCVEGCSA-N 1 0 213.321 2.130 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000308859476 133450734 /nfs/dbraw/zinc/45/07/34/133450734.db2.gz XXSBTNSLJNGCAA-NWDGAFQWSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000336711638 133537817 /nfs/dbraw/zinc/53/78/17/133537817.db2.gz UMLRYSUPMGETKQ-GFCCVEGCSA-N 1 0 211.349 2.291 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000274608057 133548091 /nfs/dbraw/zinc/54/80/91/133548091.db2.gz JNKXYDACPDYGBR-SDDRHHMPSA-N 1 0 215.300 2.424 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC[C@H](C)O)c1 ZINC000278583194 133552860 /nfs/dbraw/zinc/55/28/60/133552860.db2.gz BTEACQUZLWNCJH-LBPRGKRZSA-N 1 0 249.358 2.191 20 30 BEEDRO C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[NH2+]1 ZINC000083814882 133561051 /nfs/dbraw/zinc/56/10/51/133561051.db2.gz VPAUSWYPDJZHFP-VIFPVBQESA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccncc1 ZINC000083853787 133561704 /nfs/dbraw/zinc/56/17/04/133561704.db2.gz TZAASIVATXHMDP-NSHDSACASA-N 1 0 215.300 2.426 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881295 133637092 /nfs/dbraw/zinc/63/70/92/133637092.db2.gz DVTLYXMNHXATPW-OAHLLOKOSA-N 1 0 244.338 2.061 20 30 BEEDRO C[C@@H]1CCN(c2ccc(F)cc2C#N)C[C@H]1C[NH3+] ZINC000253203197 133654663 /nfs/dbraw/zinc/65/46/63/133654663.db2.gz ZGUJJAJYOOUDDZ-ZYHUDNBSSA-N 1 0 247.317 2.118 20 30 BEEDRO CC1(C)[C@H]([NH2+]C2CCC(C)(C#N)CC2)C[C@@H]1O ZINC000334735621 133743742 /nfs/dbraw/zinc/74/37/42/133743742.db2.gz RIOXOILSBSXSRZ-BEVNXUHPSA-N 1 0 236.359 2.208 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000349781963 133912285 /nfs/dbraw/zinc/91/22/85/133912285.db2.gz YQFFQAWTCWJXLB-MJBXVCDLSA-N 1 0 239.359 2.269 20 30 BEEDRO COC[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000351233000 133967004 /nfs/dbraw/zinc/96/70/04/133967004.db2.gz YKQSZWHRLXVLPE-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCOC3(CCCC3)C2)C1 ZINC000335929121 134009823 /nfs/dbraw/zinc/00/98/23/134009823.db2.gz IWAKGQYNAUHJAS-OLZOCXBDSA-N 1 0 234.343 2.324 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)ccc1C#N ZINC000335942854 134018403 /nfs/dbraw/zinc/01/84/03/134018403.db2.gz RJDLRFNJORXIMM-HUUCEWRRSA-N 1 0 244.338 2.212 20 30 BEEDRO N#CC1CCN(Cc2ccc(Cl)cn2)CC1 ZINC000335964412 134027557 /nfs/dbraw/zinc/02/75/57/134027557.db2.gz AALVHYRRVKNFHO-UHFFFAOYSA-N 1 0 235.718 2.471 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000351995823 134033173 /nfs/dbraw/zinc/03/31/73/134033173.db2.gz RTKXFZBIYPISAR-QWHCGFSZSA-N 1 0 237.343 2.023 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000352016141 134036387 /nfs/dbraw/zinc/03/63/87/134036387.db2.gz VHLAWJFSSWZOFL-ZDUSSCGKSA-N 1 0 208.349 2.121 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cccc2c[nH]nc21 ZINC000352086650 134061155 /nfs/dbraw/zinc/06/11/55/134061155.db2.gz GFGIDPOBWAPVKO-SNVBAGLBSA-N 1 0 228.299 2.154 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)ccc1C#N ZINC000336096879 134080652 /nfs/dbraw/zinc/08/06/52/134080652.db2.gz RIWWRPYVJHJKFX-SWLSCSKDSA-N 1 0 244.338 2.381 20 30 BEEDRO CCC1(CO)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000336120915 134091013 /nfs/dbraw/zinc/09/10/13/134091013.db2.gz PYBWSGSOCVNBLZ-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(F)c1C#N ZINC000336126157 134093080 /nfs/dbraw/zinc/09/30/80/134093080.db2.gz MPLVRIWCXQWWKR-QMTHXVAHSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2nccn21 ZINC000333462043 134109652 /nfs/dbraw/zinc/10/96/52/134109652.db2.gz GQMUTXVVJRPMEX-YFKTTZPYSA-N 1 0 230.315 2.171 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CCO1 ZINC000336173476 134116072 /nfs/dbraw/zinc/11/60/72/134116072.db2.gz OPDMMSBXUCGGOV-BLYZHGLHSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)ccc1C#N ZINC000336174795 134116578 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134144223 /nfs/dbraw/zinc/14/42/23/134144223.db2.gz XHNUISYDMDMBDV-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C[C@H]1C[C@@H](O)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000336359485 134144457 /nfs/dbraw/zinc/14/44/57/134144457.db2.gz GOBPXHUUDCAGPH-SMDDNHRTSA-N 1 0 249.741 2.147 20 30 BEEDRO C[C@H]1[N@H+](CCC(C)(C)C#N)CCOC1(C)C ZINC000336352669 134144544 /nfs/dbraw/zinc/14/45/44/134144544.db2.gz RQKOHIHDYJEDLV-LLVKDONJSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)C[C@@H]1CCO[C@H](C)C1 ZINC000352689850 134151285 /nfs/dbraw/zinc/15/12/85/134151285.db2.gz AXEJZPRHMQZYRN-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000336620762 134151898 /nfs/dbraw/zinc/15/18/98/134151898.db2.gz DYNWVWFGJKKMGB-LLVKDONJSA-N 1 0 224.373 2.365 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OC)c(OC)c1 ZINC000168175148 134156610 /nfs/dbraw/zinc/15/66/10/134156610.db2.gz FQISIWDYTWFGLY-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C=CCN(CCOC)c1cc[nH+]c(C)c1 ZINC000302734919 134158162 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ZINC000361599895 134206806 /nfs/dbraw/zinc/20/68/06/134206806.db2.gz AWEYCWHIFOCROK-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1CCO[C@H](CC)C1 ZINC000361646323 134207149 /nfs/dbraw/zinc/20/71/49/134207149.db2.gz VEHYRGGRXDFTPR-ZIAGYGMSSA-N 1 0 241.375 2.326 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000363065304 134215136 /nfs/dbraw/zinc/21/51/36/134215136.db2.gz XJDPSKIYTQIJAA-CQSZACIVSA-N 1 0 230.311 2.443 20 30 BEEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CCCCC#N ZINC000367860324 134216545 /nfs/dbraw/zinc/21/65/45/134216545.db2.gz ZVLUWSQVWUNJNC-KGLIPLIRSA-N 1 0 235.375 2.239 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367982444 134216891 /nfs/dbraw/zinc/21/68/91/134216891.db2.gz JMCSFRXHJFPHQY-LBPRGKRZSA-N 1 0 226.364 2.154 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000371077738 134227194 /nfs/dbraw/zinc/22/71/94/134227194.db2.gz YIFVKRIRIQJGCK-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC#Cc1ccccc1 ZINC000300421963 134228988 /nfs/dbraw/zinc/22/89/88/134228988.db2.gz DCUAENYUQSNTLW-ZFWWWQNUSA-N 1 0 229.323 2.195 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)[C@H](CO)SC)C1CC1 ZINC000121285401 134232578 /nfs/dbraw/zinc/23/25/78/134232578.db2.gz JMWIWXUUYINPRD-DRZSPHRISA-N 1 0 243.416 2.433 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000303551093 134234557 /nfs/dbraw/zinc/23/45/57/134234557.db2.gz RERYDXAMPFFICR-LLVKDONJSA-N 1 0 227.348 2.125 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374168760 134236010 /nfs/dbraw/zinc/23/60/10/134236010.db2.gz ASUMHWZRIFCDHM-LXTVHRRPSA-N 1 0 235.371 2.271 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374168761 134236082 /nfs/dbraw/zinc/23/60/82/134236082.db2.gz ASUMHWZRIFCDHM-XQLPTFJDSA-N 1 0 235.371 2.271 20 30 BEEDRO N#C[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCCO ZINC000304332460 134237209 /nfs/dbraw/zinc/23/72/09/134237209.db2.gz VRIJAIBKTMPEJZ-HUUCEWRRSA-N 1 0 244.338 2.141 20 30 BEEDRO CCC[C@H]1C[C@H]1NC(=[NH2+])N1CCC(C)CC1 ZINC000304345252 134237367 /nfs/dbraw/zinc/23/73/67/134237367.db2.gz DGHGIVPBWQRZQY-NWDGAFQWSA-N 1 0 223.364 2.222 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375338817 134239084 /nfs/dbraw/zinc/23/90/84/134239084.db2.gz SVJUVDLKUJCUCW-OLZOCXBDSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1CC(C)C ZINC000305092868 134239892 /nfs/dbraw/zinc/23/98/92/134239892.db2.gz QOSQJEUVJHATCW-KGLIPLIRSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC1(O)CCOCC1 ZINC000305134923 134240092 /nfs/dbraw/zinc/24/00/92/134240092.db2.gz ODQDEYKPEJJVFH-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO C[N@H+](C[C@H]1CCC[C@H]1O)CC(C)(C)CCC#N ZINC000305741741 134242629 /nfs/dbraw/zinc/24/26/29/134242629.db2.gz GOPMRNRNOCJBGV-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000305769006 134242843 /nfs/dbraw/zinc/24/28/43/134242843.db2.gz IXGQXWBSSGIVGB-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO N#CCCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000377785777 134245031 /nfs/dbraw/zinc/24/50/31/134245031.db2.gz QTXLUNYYVRRAJZ-QWHCGFSZSA-N 1 0 234.343 2.324 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000378507225 134246271 /nfs/dbraw/zinc/24/62/71/134246271.db2.gz FLEPLKSXZJLFTR-GJZGRUSLSA-N 1 0 229.323 2.377 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cc(C#N)cc(C)n1 ZINC000218065869 134251372 /nfs/dbraw/zinc/25/13/72/134251372.db2.gz KAYBWNWGFMKNSK-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO Cc1noc([C@H]2CCC[N@H+](CCCCC#N)C2)n1 ZINC000171033786 134256560 /nfs/dbraw/zinc/25/65/60/134256560.db2.gz QTNVKMLIACKVMR-LBPRGKRZSA-N 1 0 248.330 2.251 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@](C)(CCC)C1 ZINC000174450873 134282115 /nfs/dbraw/zinc/28/21/15/134282115.db2.gz NHAYYZMQMVABLR-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C[NH2+]C1CC(OC)C1)c1ccccc1 ZINC000220901018 134315284 /nfs/dbraw/zinc/31/52/84/134315284.db2.gz LPBFVYLBYQKWBM-UHFFFAOYSA-N 1 0 217.312 2.467 20 30 BEEDRO C[C@@]1([NH2+]Cc2cccc(C#N)c2)CCCOC1 ZINC000221346111 134320949 /nfs/dbraw/zinc/32/09/49/134320949.db2.gz NBVUFLZPNSSHLM-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCCOCC1 ZINC000221945043 134326820 /nfs/dbraw/zinc/32/68/20/134326820.db2.gz NUPVNICPZNWZDS-NSHDSACASA-N 1 0 215.362 2.064 20 30 BEEDRO C[C@@H](O)C1CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000222272037 134331103 /nfs/dbraw/zinc/33/11/03/134331103.db2.gz LHMWCHQAIPASQN-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1c[nH]nc1-c1cccnc1 ZINC000181049677 134333414 /nfs/dbraw/zinc/33/34/14/134333414.db2.gz XDZGZPHIIWUNJU-UHFFFAOYSA-N 1 0 242.326 2.480 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(C(=O)OC)o1 ZINC000181269712 134334377 /nfs/dbraw/zinc/33/43/77/134334377.db2.gz JYRKUCTZQUOQOY-UHFFFAOYSA-N 1 0 237.299 2.383 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(F)cc1C#N)C1CC1 ZINC000181572672 134337844 /nfs/dbraw/zinc/33/78/44/134337844.db2.gz ADRVUGHICMBRTJ-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO CC(C)Cn1cc(C[NH2+]CCCCC#N)cn1 ZINC000181789396 134339528 /nfs/dbraw/zinc/33/95/28/134339528.db2.gz HPUYADYHLOZXBA-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(F)ccc1C ZINC000184279312 134361375 /nfs/dbraw/zinc/36/13/75/134361375.db2.gz BQKLIJCUGYYLHJ-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO C=CCSCC[NH2+]C[C@H]1CCSC1 ZINC000226378799 134364820 /nfs/dbraw/zinc/36/48/20/134364820.db2.gz SMEATHGXPMVZQN-SNVBAGLBSA-N 1 0 217.403 2.248 20 30 BEEDRO CC1(C)C[NH+](CCCC#N)CC(C)(C)O1 ZINC000226425535 134365545 /nfs/dbraw/zinc/36/55/45/134365545.db2.gz GENIUOLXPFCBBC-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1F)[C@H]1CCOC1 ZINC000227016878 134373844 /nfs/dbraw/zinc/37/38/44/134373844.db2.gz YSLUKZVQHKRZOT-MFKMUULPSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(C#N)c(Cl)c1 ZINC000227537917 134382807 /nfs/dbraw/zinc/38/28/07/134382807.db2.gz VGEKXLXLZHOCCL-SNVBAGLBSA-N 1 0 249.745 2.352 20 30 BEEDRO CCC[C@@]1([NH2+]CCCCC#N)CCOC1 ZINC000309232181 134384854 /nfs/dbraw/zinc/38/48/54/134384854.db2.gz WYAIQDQSJIEERV-GFCCVEGCSA-N 1 0 210.321 2.229 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000185794016 134394737 /nfs/dbraw/zinc/39/47/37/134394737.db2.gz GTGBFEKSWOLDTN-JQWIXIFHSA-N 1 0 204.273 2.452 20 30 BEEDRO C[C@H](C[NH2+]CCCC#N)CC1CCOCC1 ZINC000309399000 134399520 /nfs/dbraw/zinc/39/95/20/134399520.db2.gz HCKZOHBYPIXVKQ-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1([S@](C)=O)CC1 ZINC000309166673 134414633 /nfs/dbraw/zinc/41/46/33/134414633.db2.gz JHDNQVHCDDXAQC-NHYWBVRUSA-N 1 0 229.389 2.232 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000363949102 134416519 /nfs/dbraw/zinc/41/65/19/134416519.db2.gz STONABHHYZGHQN-JHJVBQTASA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(C)CC[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000363746985 134480593 /nfs/dbraw/zinc/48/05/93/134480593.db2.gz RILRNCCZDUNAGY-GFCCVEGCSA-N 1 0 237.343 2.228 20 30 BEEDRO Cc1cccc(CC[NH+]=C(N(C)C)N(C)C)c1 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235.331 2.456 20 30 BEEDRO C=CCC(CC=C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000339358895 135071832 /nfs/dbraw/zinc/07/18/32/135071832.db2.gz AAOXTZHTSUXKPP-JTQLQIEISA-N 1 0 235.331 2.456 20 30 BEEDRO CSC1(C[NH2+]CC(C)(C)C#N)CCC1 ZINC000308607469 135079864 /nfs/dbraw/zinc/07/98/64/135079864.db2.gz XAYDLJRYMVSYPV-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO CC#CCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339822460 135083004 /nfs/dbraw/zinc/08/30/04/135083004.db2.gz XWWCNSYRBREYAR-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCOCCC[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000339824633 135083433 /nfs/dbraw/zinc/08/34/33/135083433.db2.gz XRTZGICYYCFPOV-AWEZNQCLSA-N 1 0 241.375 2.326 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500274 135087528 /nfs/dbraw/zinc/08/75/28/135087528.db2.gz CPINQJXFTYGLHO-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CCN(C2CC2)C1 ZINC000353335003 135093437 /nfs/dbraw/zinc/09/34/37/135093437.db2.gz VHPJQSQJNSMEEJ-AWEZNQCLSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCc2ccccc21 ZINC000261992959 135112910 /nfs/dbraw/zinc/11/29/10/135112910.db2.gz RUGQGIWITAGJRE-ZDUSSCGKSA-N 1 0 243.354 2.197 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cc(C#N)cs2)CCCO1 ZINC000087234347 135114354 /nfs/dbraw/zinc/11/43/54/135114354.db2.gz NXEZASWUVQOUHL-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@@H]1C[C@@H]1NC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261999224 135114439 /nfs/dbraw/zinc/11/44/39/135114439.db2.gz OYLHQJGZICTFKL-RNCFNFMXSA-N 1 0 229.327 2.310 20 30 BEEDRO Cc1ccsc1C[NH+]=C(N(C)C)N(C)C ZINC000261997704 135114503 /nfs/dbraw/zinc/11/45/03/135114503.db2.gz ONLDUUGBAJLKIM-UHFFFAOYSA-N 1 0 225.361 2.036 20 30 BEEDRO CN(C)C(=[NH+]Cc1ccc(Cl)cc1)N(C)C ZINC000262325907 135118076 /nfs/dbraw/zinc/11/80/76/135118076.db2.gz QZEVKLQHZOOOEN-UHFFFAOYSA-N 1 0 239.750 2.319 20 30 BEEDRO [NH2+]=C(NCC(F)F)Nc1ccc2c(c1)CCC2 ZINC000262390178 135118130 /nfs/dbraw/zinc/11/81/30/135118130.db2.gz IGVQMUJBZKOJRU-UHFFFAOYSA-N 1 0 239.269 2.167 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@@H]1Cc1ccccc1)N(C)C ZINC000262503269 135118594 /nfs/dbraw/zinc/11/85/94/135118594.db2.gz ATIJYWDSXWWHFH-KBPBESRZSA-N 1 0 245.370 2.097 20 30 BEEDRO C=C(Cl)CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000252970223 135118827 /nfs/dbraw/zinc/11/88/27/135118827.db2.gz WUZLMTYQLNYEPZ-IJLUTSLNSA-N 1 0 228.767 2.249 20 30 BEEDRO Cc1cc(CNC2=[NH+]CCN2C)ccc1Cl ZINC000262628847 135119737 /nfs/dbraw/zinc/11/97/37/135119737.db2.gz FEUPEBSYXQYJMW-UHFFFAOYSA-N 1 0 237.734 2.039 20 30 BEEDRO CN1CC[NH+]=C1NCC1CC(c2ccccc2)C1 ZINC000262664926 135120646 /nfs/dbraw/zinc/12/06/46/135120646.db2.gz OIQNOGOHEZTCPU-UHFFFAOYSA-N 1 0 243.354 2.071 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCc3ccccc32)N1 ZINC000262642013 135120715 /nfs/dbraw/zinc/12/07/15/135120715.db2.gz IAJBRMPUCJYZSL-DGCLKSJQSA-N 1 0 243.354 2.044 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCCCC(F)(F)C1 ZINC000262706611 135121628 /nfs/dbraw/zinc/12/16/28/135121628.db2.gz NCCHSZVCGZJQNE-JTQLQIEISA-N 1 0 245.317 2.292 20 30 BEEDRO C[NH+]=C(N[C@H](C)c1ccc(C)o1)NC1CCC1 ZINC000262791713 135122678 /nfs/dbraw/zinc/12/26/78/135122678.db2.gz OGZDFGNIRBWTKJ-SNVBAGLBSA-N 1 0 235.331 2.367 20 30 BEEDRO C=CCNC(NC[C@H]1CC=CCC1)=[NH+]CC ZINC000263244862 135126056 /nfs/dbraw/zinc/12/60/56/135126056.db2.gz MMFQQMWWHKLDFL-LBPRGKRZSA-N 1 0 221.348 2.084 20 30 BEEDRO C[NH+]=C(N[C@H]1C[C@H]1C)N1CCc2ccccc2C1 ZINC000263269467 135126251 /nfs/dbraw/zinc/12/62/51/135126251.db2.gz WHYRCFNGQKRBFM-RISCZKNCSA-N 1 0 243.354 2.029 20 30 BEEDRO CCNC(NCc1ccc(F)c(C)c1)=[NH+]CC ZINC000263932377 135129547 /nfs/dbraw/zinc/12/95/47/135129547.db2.gz ATGYSLVYDOUVOP-UHFFFAOYSA-N 1 0 237.322 2.209 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000264069103 135130878 /nfs/dbraw/zinc/13/08/78/135130878.db2.gz FTRTUKIFCUYFMC-CYBMUJFWSA-N 1 0 247.342 2.155 20 30 BEEDRO CCNC(=[NH2+])NCC1(c2ccccc2)CCCC1 ZINC000264069236 135131060 /nfs/dbraw/zinc/13/10/60/135131060.db2.gz FWQBYBKGJOXUOU-UHFFFAOYSA-N 1 0 245.370 2.423 20 30 BEEDRO CCCNC(=[NH2+])NCCCOc1ccc(C)cc1 ZINC000264071157 135131151 /nfs/dbraw/zinc/13/11/51/135131151.db2.gz DHBUORXRJMZHHJ-UHFFFAOYSA-N 1 0 249.358 2.078 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCOC2)cc1C ZINC000264087950 135132346 /nfs/dbraw/zinc/13/23/46/135132346.db2.gz KANFJPBBZFOUMV-GFCCVEGCSA-N 1 0 247.342 2.067 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)c1ccc(F)cc1 ZINC000264099897 135132953 /nfs/dbraw/zinc/13/29/53/135132953.db2.gz NTGCYCOZLIOBHP-SNVBAGLBSA-N 1 0 237.322 2.244 20 30 BEEDRO C[NH+]=C(NC[C@@H](C)c1ccc(F)cc1)NC1CC1 ZINC000264107633 135133140 /nfs/dbraw/zinc/13/31/40/135133140.db2.gz ZUYKAJMJSDHRBY-SNVBAGLBSA-N 1 0 249.333 2.257 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000264125639 135134396 /nfs/dbraw/zinc/13/43/96/135134396.db2.gz SENUVJXPHNCPEF-RYUDHWBXSA-N 1 0 233.359 2.493 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCOC2)c1 ZINC000264127185 135134428 /nfs/dbraw/zinc/13/44/28/135134428.db2.gz WUWNMKGJWWJXDG-GFCCVEGCSA-N 1 0 247.342 2.067 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(F)cc1F ZINC000264133111 135135218 /nfs/dbraw/zinc/13/52/18/135135218.db2.gz UNWLFYJQSBWCNZ-MRVPVSSYSA-N 1 0 241.285 2.168 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(OCCC)cc1 ZINC000264143657 135135998 /nfs/dbraw/zinc/13/59/98/135135998.db2.gz XGYMJQLFYKTAHY-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000260035783 135146562 /nfs/dbraw/zinc/14/65/62/135146562.db2.gz NJRFZEIWHXGEGD-LBPRGKRZSA-N 1 0 224.373 2.365 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1ncccc1C ZINC000267385177 135153248 /nfs/dbraw/zinc/15/32/48/135153248.db2.gz BLZUSLYGGXFWAU-UHFFFAOYSA-N 1 0 248.374 2.375 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NC(C)(C)C)cc1 ZINC000267410557 135153895 /nfs/dbraw/zinc/15/38/95/135153895.db2.gz IEIDHGPIQHCFND-UHFFFAOYSA-N 1 0 233.359 2.240 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)Oc1cccc(C)c1 ZINC000267401111 135154277 /nfs/dbraw/zinc/15/42/77/135154277.db2.gz FXWZXASILNYIBF-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO CCCNC(=[NH2+])NCCc1cc(C)cc(C)c1 ZINC000267421300 135154431 /nfs/dbraw/zinc/15/44/31/135154431.db2.gz KONUOTTZIKNPKF-UHFFFAOYSA-N 1 0 233.359 2.160 20 30 BEEDRO C[C@@H]1C[N@@H+](CCCC(C)(C)C#N)C[C@H](C)O1 ZINC000087608395 135158963 /nfs/dbraw/zinc/15/89/63/135158963.db2.gz WQVBHQQSWIOVNO-TXEJJXNPSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)CCCO1 ZINC000087595553 135159629 /nfs/dbraw/zinc/15/96/29/135159629.db2.gz NWRLCKXONSUFOU-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCCCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268501550 135160182 /nfs/dbraw/zinc/16/01/82/135160182.db2.gz SGMJFNJWPAVNAZ-HNNXBMFYSA-N 1 0 244.338 2.272 20 30 BEEDRO Cc1ncc([C@H](C)[NH2+]CCCCC#N)c(C)n1 ZINC000268862630 135162864 /nfs/dbraw/zinc/16/28/64/135162864.db2.gz JWSZVBPGUWAOGW-JTQLQIEISA-N 1 0 232.331 2.438 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccco1 ZINC000353394666 135167033 /nfs/dbraw/zinc/16/70/33/135167033.db2.gz MZULMZLZWMLBAC-MNOVXSKESA-N 1 0 236.315 2.140 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000261536159 135171130 /nfs/dbraw/zinc/17/11/30/135171130.db2.gz QOYJRBJEEZVDAD-HTQZYQBOSA-N 1 0 223.707 2.359 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3ncc[nH]3)C2)C1 ZINC000293809239 135183183 /nfs/dbraw/zinc/18/31/83/135183183.db2.gz OBHZELZJRDCXCB-AGIUHOORSA-N 1 0 244.342 2.281 20 30 BEEDRO C[C@@H](c1cccnc1)[N@H+](C)CCOCCC#N ZINC000293915404 135184701 /nfs/dbraw/zinc/18/47/01/135184701.db2.gz XHWUEEIZYRNPCQ-LBPRGKRZSA-N 1 0 233.315 2.005 20 30 BEEDRO CCn1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000295111307 135188856 /nfs/dbraw/zinc/18/88/56/135188856.db2.gz VCHFNROBNMCGEW-AAEUAGOBSA-N 1 0 232.331 2.075 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353572580 135190242 /nfs/dbraw/zinc/19/02/42/135190242.db2.gz YFVYZMBOTRAFPI-ZIAGYGMSSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@H]1C ZINC000353576795 135190839 /nfs/dbraw/zinc/19/08/39/135190839.db2.gz ADJBFWLQIWQYTC-NMFUWQPSSA-N 1 0 231.339 2.315 20 30 BEEDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(CC#N)CC1 ZINC000340534759 135191289 /nfs/dbraw/zinc/19/12/89/135191289.db2.gz QZYJSPCKPXHIMH-CYBMUJFWSA-N 1 0 246.358 2.191 20 30 BEEDRO Cc1nc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000261555658 135195185 /nfs/dbraw/zinc/19/51/85/135195185.db2.gz BPKYPJPQRGCNFL-WCQYABFASA-N 1 0 244.342 2.062 20 30 BEEDRO Cc1nc(NCC[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000261561300 135202677 /nfs/dbraw/zinc/20/26/77/135202677.db2.gz FUGNTASVHHZZMQ-LBPRGKRZSA-N 1 0 244.342 2.063 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc(OC)cc1 ZINC000299427941 135203420 /nfs/dbraw/zinc/20/34/20/135203420.db2.gz UFGDVRAOZHVBEN-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO N#CCCN1CCC[C@@H]1c1ccncc1 ZINC000299717216 135206480 /nfs/dbraw/zinc/20/64/80/135206480.db2.gz RSZQDBYAQBECPK-GFCCVEGCSA-N 1 0 201.273 2.132 20 30 BEEDRO CN1CC[NH+]=C1NCC1CCC(C)(C)CC1 ZINC000261574573 135215723 /nfs/dbraw/zinc/21/57/23/135215723.db2.gz JICQQSNCGSSPSP-UHFFFAOYSA-N 1 0 223.364 2.094 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1C ZINC000042220665 135219495 /nfs/dbraw/zinc/21/94/95/135219495.db2.gz GJWAXMMNUQBGDM-OLZOCXBDSA-N 1 0 246.354 2.336 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC[C@H]2CCC[C@@H](C)C2)N1 ZINC000261582358 135223093 /nfs/dbraw/zinc/22/30/93/135223093.db2.gz OGCDFHREMCNKET-GRYCIOLGSA-N 1 0 223.364 2.140 20 30 BEEDRO CO[C@H]1C[C@H](NC(=[NH2+])Nc2ccccc2)C1(C)C ZINC000261587408 135228470 /nfs/dbraw/zinc/22/84/70/135228470.db2.gz VAQRYIXOPMXWAV-RYUDHWBXSA-N 1 0 247.342 2.227 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000340866570 135230431 /nfs/dbraw/zinc/23/04/31/135230431.db2.gz GNOACUMBVMISPK-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000340877447 135230775 /nfs/dbraw/zinc/23/07/75/135230775.db2.gz BLZCGNMYSMHSRV-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C)ccc1F ZINC000341266488 135235108 /nfs/dbraw/zinc/23/51/08/135235108.db2.gz JFEVWIGNXWGGQJ-GFCCVEGCSA-N 1 0 237.318 2.408 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000341385044 135237365 /nfs/dbraw/zinc/23/73/65/135237365.db2.gz RZZJTHHGBGZJQR-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000341425521 135238145 /nfs/dbraw/zinc/23/81/45/135238145.db2.gz AMJYJVINEWCWGG-LBPRGKRZSA-N 1 0 244.342 2.413 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000341882917 135243895 /nfs/dbraw/zinc/24/38/95/135243895.db2.gz HRGXFQUFEGWURH-WDEREUQCSA-N 1 0 238.306 2.056 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cnccc1C ZINC000341869226 135243921 /nfs/dbraw/zinc/24/39/21/135243921.db2.gz ACZQEVLKUFKDIM-CHWSQXEVSA-N 1 0 234.343 2.225 20 30 BEEDRO CCCCC[NH+]1CCC(C#N)(COC)CC1 ZINC000341975430 135244899 /nfs/dbraw/zinc/24/48/99/135244899.db2.gz JIFKVWXHWHPJLV-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000342052703 135246673 /nfs/dbraw/zinc/24/66/73/135246673.db2.gz UZYRIKRKZYEXMP-RWMBFGLXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342075413 135247666 /nfs/dbraw/zinc/24/76/66/135247666.db2.gz XJLVJGCERUKTKB-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342148106 135250760 /nfs/dbraw/zinc/25/07/60/135250760.db2.gz GSXZCISVYMSZSC-HIFRSBDPSA-N 1 0 249.354 2.065 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342154756 135251181 /nfs/dbraw/zinc/25/11/81/135251181.db2.gz NFGVRXDFFOAPHQ-GXTWGEPZSA-N 1 0 237.343 2.228 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc2c1NCC2 ZINC000261801907 135254831 /nfs/dbraw/zinc/25/48/31/135254831.db2.gz GYOXAGYKSMFMPH-UHFFFAOYSA-N 1 0 246.354 2.289 20 30 BEEDRO [NH2+]=C(NCc1csc2ccccc12)NC1CC1 ZINC000261910200 135261792 /nfs/dbraw/zinc/26/17/92/135261792.db2.gz YAZMXNQZDRUWMK-UHFFFAOYSA-N 1 0 245.351 2.468 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H](C)C1 ZINC000261974705 135267979 /nfs/dbraw/zinc/26/79/79/135267979.db2.gz FPWMHOSFSYJERS-NEPJUHHUSA-N 1 0 223.364 2.293 20 30 BEEDRO C=CCOc1ccc(CN2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261924589 135269719 /nfs/dbraw/zinc/26/97/19/135269719.db2.gz BZLLEHPOXCEUDU-SWLSCSKDSA-N 1 0 246.354 2.030 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1c1ccccc1)N(C)C ZINC000261995641 135270812 /nfs/dbraw/zinc/27/08/12/135270812.db2.gz NPGJKIBIVRCIGE-QWHCGFSZSA-N 1 0 231.343 2.022 20 30 BEEDRO C[NH+]=C(NCc1ccc(Cl)s1)NC1CC1 ZINC000262141950 135281419 /nfs/dbraw/zinc/28/14/19/135281419.db2.gz PUODGDWKFIEBSJ-UHFFFAOYSA-N 1 0 243.763 2.229 20 30 BEEDRO C=CCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000262173659 135283721 /nfs/dbraw/zinc/28/37/21/135283721.db2.gz IBUQICDHYQXLLL-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO CN(C)C(=[NH+]C/C=C/c1ccccc1)N(C)C ZINC000262292312 135291674 /nfs/dbraw/zinc/29/16/74/135291674.db2.gz HQGDKBVHHUYLMV-DHZHZOJOSA-N 1 0 231.343 2.179 20 30 BEEDRO CC[NH+]=C(NCC(C)C)NC[C@@H]1CC1(C)C ZINC000262401783 135295050 /nfs/dbraw/zinc/29/50/50/135295050.db2.gz NXHXDVXMJBUZPY-NSHDSACASA-N 1 0 225.380 2.244 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(CC)CCCC1 ZINC000262385817 135298640 /nfs/dbraw/zinc/29/86/40/135298640.db2.gz LHGYJIQGEBIXTB-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO C[C@@H]1CC[C@@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262471481 135300868 /nfs/dbraw/zinc/30/08/68/135300868.db2.gz OZJMMZJMRCYGEA-ZYHUDNBSSA-N 1 0 223.364 2.127 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)CC[NH2+]C ZINC000262548891 135305850 /nfs/dbraw/zinc/30/58/50/135305850.db2.gz OLMPBYHWNXWTHK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@@H]2CC[C@H]2C)c1 ZINC000262625738 135309385 /nfs/dbraw/zinc/30/93/85/135309385.db2.gz DILOEPUQQGMBTK-BXKDBHETSA-N 1 0 233.315 2.220 20 30 BEEDRO Cc1ccccc1[C@H]1C[C@H](NC2=[NH+]C[C@@H](C)N2)C1 ZINC000262644474 135311395 /nfs/dbraw/zinc/31/13/95/135311395.db2.gz IQZUKEOVYLWXIL-JHJVBQTASA-N 1 0 243.354 2.178 20 30 BEEDRO CN1CC[NH+]=C1NCC(C)(C)C1CCCC1 ZINC000262659757 135311875 /nfs/dbraw/zinc/31/18/75/135311875.db2.gz MPTGAAILMSTTML-UHFFFAOYSA-N 1 0 223.364 2.094 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCCCC(F)(F)C2)N1 ZINC000262690142 135313660 /nfs/dbraw/zinc/31/36/60/135313660.db2.gz FWJVUTSJMIMSRK-UWVGGRQHSA-N 1 0 245.317 2.139 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCCC(F)(F)C2)N1 ZINC000262690141 135314233 /nfs/dbraw/zinc/31/42/33/135314233.db2.gz FWJVUTSJMIMSRK-NXEZZACHSA-N 1 0 245.317 2.139 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(OC)cc(C)n1 ZINC000342721509 135314600 /nfs/dbraw/zinc/31/46/00/135314600.db2.gz NDHWMBIDBKJGFZ-UHFFFAOYSA-N 1 0 220.316 2.407 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2CC(F)(F)C2)C1 ZINC000262696923 135315087 /nfs/dbraw/zinc/31/50/87/135315087.db2.gz IGESNWOFJLJUMA-SECBINFHSA-N 1 0 245.317 2.078 20 30 BEEDRO [NH2+]=C(NCC1CC(F)(F)C1)NC1CCCCC1 ZINC000262725758 135315427 /nfs/dbraw/zinc/31/54/27/135315427.db2.gz ZBTAOHJGTYYHBW-UHFFFAOYSA-N 1 0 245.317 2.269 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000342732806 135316276 /nfs/dbraw/zinc/31/62/76/135316276.db2.gz DLZBHTDJLBZJTO-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000342733676 135316761 /nfs/dbraw/zinc/31/67/61/135316761.db2.gz NLQQKYQJSCSZQK-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000342733671 135316897 /nfs/dbraw/zinc/31/68/97/135316897.db2.gz NLQQKYQJSCSZQK-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C[NH+]=C(NC1CCC1)N1CC[C@@H](CC(C)C)C1 ZINC000262781022 135318006 /nfs/dbraw/zinc/31/80/06/135318006.db2.gz KYTOCFZESUHFPS-LBPRGKRZSA-N 1 0 237.391 2.482 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCCC(C)(C)C2)N1 ZINC000263049437 135329124 /nfs/dbraw/zinc/32/91/24/135329124.db2.gz DGVAMKQVZXODBH-QWRGUYRKSA-N 1 0 223.364 2.140 20 30 BEEDRO CN(C(=[NH2+])NC[C@H]1CCC[C@@H]1C1CC1)C1CC1 ZINC000263064908 135330358 /nfs/dbraw/zinc/33/03/58/135330358.db2.gz FZPQYYHHFXDQQW-DGCLKSJQSA-N 1 0 235.375 2.222 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000263080366 135331351 /nfs/dbraw/zinc/33/13/51/135331351.db2.gz ROLXAIHXRTZAMQ-VHRBIJSZSA-N 1 0 249.333 2.327 20 30 BEEDRO CC[C@H]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263078928 135331532 /nfs/dbraw/zinc/33/15/32/135331532.db2.gz HNMHYXJXAHPVGB-RYUDHWBXSA-N 1 0 225.380 2.292 20 30 BEEDRO CS[C@H](CNC1=[NH+]CCCN1C)C(C)(C)C ZINC000263090615 135332076 /nfs/dbraw/zinc/33/20/76/135332076.db2.gz IUXOSFWYOVQFND-SNVBAGLBSA-N 1 0 243.420 2.045 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F)C1CC1 ZINC000263102079 135332408 /nfs/dbraw/zinc/33/24/08/135332408.db2.gz KASASRGQAXPNSV-WCQYABFASA-N 1 0 247.317 2.091 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@H]1CCCC(C)(C)C1 ZINC000263106302 135333088 /nfs/dbraw/zinc/33/30/88/135333088.db2.gz KOGNOPNTSNSTDB-LBPRGKRZSA-N 1 0 237.391 2.484 20 30 BEEDRO N#CC1(CNC(=[NH2+])NC2CCCCCC2)CCC1 ZINC000263162359 135336153 /nfs/dbraw/zinc/33/61/53/135336153.db2.gz QUTUFLYUDUFIHT-UHFFFAOYSA-N 1 0 248.374 2.307 20 30 BEEDRO CN(C(=[NH2+])NC[C@H]1CCCCC1(F)F)C1CC1 ZINC000263156380 135336564 /nfs/dbraw/zinc/33/65/64/135336564.db2.gz PYYFXVKNRZVBPR-SECBINFHSA-N 1 0 245.317 2.221 20 30 BEEDRO CC1(C)CC[C@@H]1NC(=[NH2+])N1CCCCCC1 ZINC000263175472 135337177 /nfs/dbraw/zinc/33/71/77/135337177.db2.gz SUKKINBBIFHUGI-NSHDSACASA-N 1 0 223.364 2.366 20 30 BEEDRO CC1(C)C(CNC(=[NH2+])NC2CCC2)C1(C)C ZINC000263186605 135338057 /nfs/dbraw/zinc/33/80/57/135338057.db2.gz UXNOBGAPCKRPFH-UHFFFAOYSA-N 1 0 223.364 2.125 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@H]1CCC[C@H]1C1CC1 ZINC000263197582 135338435 /nfs/dbraw/zinc/33/84/35/135338435.db2.gz WSNYTEVHTVDULH-OLZOCXBDSA-N 1 0 235.375 2.094 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000263197583 135338473 /nfs/dbraw/zinc/33/84/73/135338473.db2.gz WSNYTEVHTVDULH-QWHCGFSZSA-N 1 0 235.375 2.094 20 30 BEEDRO Cc1csc(CNC(=[NH2+])NC2CCC2)c1 ZINC000263205530 135339351 /nfs/dbraw/zinc/33/93/51/135339351.db2.gz YDXXANBKHOTZKG-UHFFFAOYSA-N 1 0 223.345 2.013 20 30 BEEDRO CCc1ncc(C[NH2+]CCCC#N)s1 ZINC000273100108 135365567 /nfs/dbraw/zinc/36/55/67/135365567.db2.gz VNNMBJHHOSOKCL-UHFFFAOYSA-N 1 0 209.318 2.099 20 30 BEEDRO Cn1ccc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000278854374 135368709 /nfs/dbraw/zinc/36/87/09/135368709.db2.gz VUSYRRIEWVGXQJ-DGCLKSJQSA-N 1 0 217.316 2.197 20 30 BEEDRO Cn1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)c1 ZINC000278854380 135369194 /nfs/dbraw/zinc/36/91/94/135369194.db2.gz VUSYRRIEWVGXQJ-YPMHNXCESA-N 1 0 217.316 2.197 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000281327146 135370341 /nfs/dbraw/zinc/37/03/41/135370341.db2.gz LAMGUWFRWFLMGI-LLVKDONJSA-N 1 0 236.363 2.477 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000282782319 135371871 /nfs/dbraw/zinc/37/18/71/135371871.db2.gz PQMKLJHTUXNEIR-CMPLNLGQSA-N 1 0 223.316 2.484 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000289688524 135373955 /nfs/dbraw/zinc/37/39/55/135373955.db2.gz ICBHVBFVVMEZQG-MWLCHTKSSA-N 1 0 209.289 2.094 20 30 BEEDRO CC[N@@H+]1C[C@@H](C)N(Cc2ccc(C#N)o2)C[C@H]1C ZINC000334366269 135374038 /nfs/dbraw/zinc/37/40/38/135374038.db2.gz IZZVHWVDXMYJEY-VXGBXAGGSA-N 1 0 247.342 2.066 20 30 BEEDRO CC#CC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292331224 135375177 /nfs/dbraw/zinc/37/51/77/135375177.db2.gz GBNOCRIDZPFGNH-GXFFZTMASA-N 1 0 235.352 2.363 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000291441112 135375651 /nfs/dbraw/zinc/37/56/51/135375651.db2.gz BWCLDGLVEQMOFW-GXFFZTMASA-N 1 0 223.291 2.066 20 30 BEEDRO C=C(C)C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291064847 135375711 /nfs/dbraw/zinc/37/57/11/135375711.db2.gz QDBJIOGEVBVPBM-UHFFFAOYSA-N 1 0 215.247 2.023 20 30 BEEDRO COc1cccc([C@@H](C)[NH2+]CCOCCC#N)c1 ZINC000293778148 135376272 /nfs/dbraw/zinc/37/62/72/135376272.db2.gz LPLKJXUWDQQQEB-GFCCVEGCSA-N 1 0 248.326 2.276 20 30 BEEDRO C=CCOCC[NH2+]C(C)(C)c1nccs1 ZINC000293778043 135376754 /nfs/dbraw/zinc/37/67/54/135376754.db2.gz LNTSAZRJJAWUMP-UHFFFAOYSA-N 1 0 226.345 2.170 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000294071417 135377485 /nfs/dbraw/zinc/37/74/85/135377485.db2.gz KUJWVGQGQHAXPZ-NWDGAFQWSA-N 1 0 217.316 2.282 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)[C@@H](C)CC=C ZINC000294869050 135377577 /nfs/dbraw/zinc/37/75/77/135377577.db2.gz COWNPCVWQFDUQF-KBPBESRZSA-N 1 0 222.376 2.132 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294069289 135377585 /nfs/dbraw/zinc/37/75/85/135377585.db2.gz KSJHKWASYRJOGM-DCAQKATOSA-N 1 0 205.305 2.443 20 30 BEEDRO C=CCOCC[NH2+]C1(c2ccccc2)CC1 ZINC000293866237 135377876 /nfs/dbraw/zinc/37/78/76/135377876.db2.gz SGPPPYDTWJPBES-UHFFFAOYSA-N 1 0 217.312 2.468 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294071421 135378143 /nfs/dbraw/zinc/37/81/43/135378143.db2.gz KUJWVGQGQHAXPZ-RYUDHWBXSA-N 1 0 217.316 2.282 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)c1ccc(C#N)cc1 ZINC000293922511 135378405 /nfs/dbraw/zinc/37/84/05/135378405.db2.gz YCIUHUAEWVJNRA-GFCCVEGCSA-N 1 0 243.310 2.139 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340305986 135437478 /nfs/dbraw/zinc/43/74/78/135437478.db2.gz NGCMEKMXNDURNK-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CC)C(C)C ZINC000046049367 135455753 /nfs/dbraw/zinc/45/57/53/135455753.db2.gz VNLIMWNXENGNPT-CYBMUJFWSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)CCO)cc1 ZINC000096811352 135628934 /nfs/dbraw/zinc/62/89/34/135628934.db2.gz AGFOSGSGYVUZAO-LBPRGKRZSA-N 1 0 235.327 2.112 20 30 BEEDRO CC#CC[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000293171827 135662585 /nfs/dbraw/zinc/66/25/85/135662585.db2.gz PGDGERDLDDNBJF-UHFFFAOYSA-N 1 0 242.322 2.282 20 30 BEEDRO N#CC1(C[NH+]2C[C@H]3CCC[C@@H]3C2)CCC1 ZINC000334623784 135795292 /nfs/dbraw/zinc/79/52/92/135795292.db2.gz XDVMKDLAOTZGIF-VXGBXAGGSA-N 1 0 204.317 2.412 20 30 BEEDRO CCN1C[C@@H](C)[NH+](CCCCC#N)[C@H](C)C1 ZINC000347697925 136006790 /nfs/dbraw/zinc/00/67/90/136006790.db2.gz ZNPOZCHILVPBSI-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CCCC(=O)N(CCC)CCC[NH+](C)C ZINC000347954357 136017416 /nfs/dbraw/zinc/01/74/16/136017416.db2.gz OOBMRLCRPQJWPL-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000347962392 136017656 /nfs/dbraw/zinc/01/76/56/136017656.db2.gz BMHMJYCQWQWMGG-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000347961991 136017752 /nfs/dbraw/zinc/01/77/52/136017752.db2.gz BMHMJYCQWQWMGG-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[N@@H+](C)C1CCC(CO)CC1 ZINC000348061626 136024693 /nfs/dbraw/zinc/02/46/93/136024693.db2.gz UGLRAQARFVHTLI-UHFFFAOYSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@H](COC)C1 ZINC000348061506 136024736 /nfs/dbraw/zinc/02/47/36/136024736.db2.gz YYMAUNNRISGEND-AWEZNQCLSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000348033760 136027696 /nfs/dbraw/zinc/02/76/96/136027696.db2.gz MOEQKJIMRSPXNM-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000348047854 136030017 /nfs/dbraw/zinc/03/00/17/136030017.db2.gz LQWHLYDPOHUJJG-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCOCCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000348047094 136030176 /nfs/dbraw/zinc/03/01/76/136030176.db2.gz LBWSWVJXFMZAHO-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCC1CCOCC1 ZINC000348056991 136031758 /nfs/dbraw/zinc/03/17/58/136031758.db2.gz RQXCYHKEQDZOPH-UHFFFAOYSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCOCCC[N@@H+]1CCc2ncsc2C1 ZINC000348167091 136042419 /nfs/dbraw/zinc/04/24/19/136042419.db2.gz IMQWCTIOQLTFBB-UHFFFAOYSA-N 1 0 238.356 2.094 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c1 ZINC000348213675 136045547 /nfs/dbraw/zinc/04/55/47/136045547.db2.gz AANKOBYHRKUZKU-WDEREUQCSA-N 1 0 222.238 2.301 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000348195098 136050724 /nfs/dbraw/zinc/05/07/24/136050724.db2.gz UKGJSFVLNDNRCR-ZDUSSCGKSA-N 1 0 241.375 2.326 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)o1 ZINC000335325003 136051242 /nfs/dbraw/zinc/05/12/42/136051242.db2.gz DADHJWJHKSAGDG-RISCZKNCSA-N 1 0 246.310 2.152 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)o1 ZINC000335325002 136051320 /nfs/dbraw/zinc/05/13/20/136051320.db2.gz DADHJWJHKSAGDG-FZMZJTMJSA-N 1 0 246.310 2.152 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348233731 136060696 /nfs/dbraw/zinc/06/06/96/136060696.db2.gz VBLQPVMKQCCCKT-DTWKUNHWSA-N 1 0 205.248 2.312 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]2C(F)F)C1 ZINC000348233072 136061072 /nfs/dbraw/zinc/06/10/72/136061072.db2.gz URAQPNPSOBJTKA-RGOKHQFPSA-N 1 0 214.259 2.312 20 30 BEEDRO CC1(C)C[N@H+](CCCC#N)[C@@H]2CCC[C@H]2O1 ZINC000335346432 136066630 /nfs/dbraw/zinc/06/66/30/136066630.db2.gz KSOCGEXXXFVTIM-VXGBXAGGSA-N 1 0 222.332 2.322 20 30 BEEDRO CC1(F)CC([NH2+]Cc2ccc(C#N)o2)C1 ZINC000335375947 136085692 /nfs/dbraw/zinc/08/56/92/136085692.db2.gz NGFWXVRDPUWHTH-UHFFFAOYSA-N 1 0 208.236 2.131 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000335387860 136089744 /nfs/dbraw/zinc/08/97/44/136089744.db2.gz OUTVELOSWBMVGN-VHSXEESVSA-N 1 0 246.339 2.178 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CC(C)(C(N)=O)C1 ZINC000335394709 136092122 /nfs/dbraw/zinc/09/21/22/136092122.db2.gz HIACIKZMWIQXHI-SNVBAGLBSA-N 1 0 243.310 2.476 20 30 BEEDRO Cc1cc(C[NH+]2CC(C)(C(N)=O)C2)ccc1C#N ZINC000335396102 136092570 /nfs/dbraw/zinc/09/25/70/136092570.db2.gz PRXJZZBECGQLKY-UHFFFAOYSA-N 1 0 243.310 2.224 20 30 BEEDRO N#Cc1cccc(CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000335564244 136107225 /nfs/dbraw/zinc/10/72/25/136107225.db2.gz ZIMNBMWLRWPLDK-GJZGRUSLSA-N 1 0 243.354 2.308 20 30 BEEDRO C[C@H](NC1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000335567926 136108349 /nfs/dbraw/zinc/10/83/49/136108349.db2.gz IMFPXCPOFLEJTQ-JTQLQIEISA-N 1 0 247.317 2.100 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](CO)C2)C1 ZINC000348680036 136113403 /nfs/dbraw/zinc/11/34/03/136113403.db2.gz JEDVXFOYBBEWJK-SYQHCUMBSA-N 1 0 236.359 2.067 20 30 BEEDRO CCC1(O)CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172499230 974850682 /nfs/dbraw/zinc/85/06/82/974850682.db2.gz CABFHOFYTGKMKP-LBPRGKRZSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172499540 974851836 /nfs/dbraw/zinc/85/18/36/974851836.db2.gz DSDDUJDBXMQMHA-VXGBXAGGSA-N 1 0 205.305 2.304 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001172499128 974852359 /nfs/dbraw/zinc/85/23/59/974852359.db2.gz AYNHSFMNLIUFFP-RWMBFGLXSA-N 1 0 223.364 2.093 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)CCCC)CC1 ZINC001647050404 1172753841 /nfs/dbraw/zinc/75/38/41/1172753841.db2.gz GIBTXIVPEMDXJD-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)CC(C)(C)O1 ZINC000173873329 397833457 /nfs/dbraw/zinc/83/34/57/397833457.db2.gz YYPVQSRULWBGGZ-LLVKDONJSA-N 1 0 242.388 2.133 20 30 BEEDRO CC[NH+](CC)CCSc1cc(C#N)ccn1 ZINC000088734139 397933018 /nfs/dbraw/zinc/93/30/18/397933018.db2.gz AZSKZDCZBIANQR-UHFFFAOYSA-N 1 0 235.356 2.387 20 30 BEEDRO COc1cc(C[NH2+]CC[C@H](C)OC)ccc1C#N ZINC000336794887 397950719 /nfs/dbraw/zinc/95/07/19/397950719.db2.gz GMWBFNIGWNXMJD-NSHDSACASA-N 1 0 248.326 2.081 20 30 BEEDRO C[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)C(C)(C)C ZINC000592523284 397950910 /nfs/dbraw/zinc/95/09/10/397950910.db2.gz XRGFRFBZFLZPIN-YPMHNXCESA-N 1 0 224.348 2.019 20 30 BEEDRO CC[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCOC1 ZINC000336789325 397951594 /nfs/dbraw/zinc/95/15/94/397951594.db2.gz IXHQTNWGDLIUNS-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO CCC#C[C@H](C)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000650179585 397958156 /nfs/dbraw/zinc/95/81/56/397958156.db2.gz IRYZOOSUEQLJNA-KBPBESRZSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000111382423 397906090 /nfs/dbraw/zinc/90/60/90/397906090.db2.gz QAOCIYBOFLOGNS-ZDUSSCGKSA-N 1 0 217.316 2.328 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CCOC(C)(C)C ZINC000591016284 397920508 /nfs/dbraw/zinc/92/05/08/397920508.db2.gz ZJTJPVJHEYQQPU-LLVKDONJSA-N 1 0 212.337 2.426 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@@H](C)[C@H](C)O1 ZINC000446073906 397991824 /nfs/dbraw/zinc/99/18/24/397991824.db2.gz PVPWAXPMEVTEFN-WOPDTQHZSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CC[N@@H+](CCC[NH3+])CC1CCCCC1 ZINC000414689180 398018555 /nfs/dbraw/zinc/01/85/55/398018555.db2.gz FLWUJZBSGDUIAK-UHFFFAOYSA-N 1 0 210.365 2.404 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000650264138 398018660 /nfs/dbraw/zinc/01/86/60/398018660.db2.gz WGNOTYCOPOIYOR-CHWSQXEVSA-N 1 0 241.400 2.143 20 30 BEEDRO C=CC[NH+]1CCC(c2ccc(OC)cn2)CC1 ZINC000649652075 398021945 /nfs/dbraw/zinc/02/19/45/398021945.db2.gz IEQKQWTVBGEMBS-UHFFFAOYSA-N 1 0 232.327 2.456 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2ccccc2n1 ZINC000491617496 398049323 /nfs/dbraw/zinc/04/93/23/398049323.db2.gz BDHREZMRGMUERR-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000264835764 398038684 /nfs/dbraw/zinc/03/86/84/398038684.db2.gz HKPQTMIEAYRFQE-CYBMUJFWSA-N 1 0 232.327 2.055 20 30 BEEDRO CC(C)(C[NH+]1CCCC1)Nc1ccc(C#N)cn1 ZINC000308668079 397969442 /nfs/dbraw/zinc/96/94/42/397969442.db2.gz OYSWZLPJNBSVBP-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000451553521 397977068 /nfs/dbraw/zinc/97/70/68/397977068.db2.gz CGJQYKHFORMUEJ-ZDUSSCGKSA-N 1 0 241.375 2.326 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCOc1ccccc1 ZINC000451599179 397978218 /nfs/dbraw/zinc/97/82/18/397978218.db2.gz NRHDPOXJLVJZBQ-CABCVRRESA-N 1 0 247.338 2.389 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000491503148 398043381 /nfs/dbraw/zinc/04/33/81/398043381.db2.gz BEFIXKSABFUARZ-GFCCVEGCSA-N 1 0 214.312 2.072 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649701258 398050096 /nfs/dbraw/zinc/05/00/96/398050096.db2.gz YVONUWFUDJNNBJ-UONOGXRCSA-N 1 0 241.375 2.203 20 30 BEEDRO CC[C@@H](CC#N)NCc1ccc2c(c1)OCCO2 ZINC000054182886 398064439 /nfs/dbraw/zinc/06/44/39/398064439.db2.gz ZKEYTHIFUUILTL-LBPRGKRZSA-N 1 0 246.310 2.240 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)C ZINC000491767545 398067209 /nfs/dbraw/zinc/06/72/09/398067209.db2.gz HUCROTBQRYCPJX-CQSZACIVSA-N 1 0 228.339 2.318 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813097 398071738 /nfs/dbraw/zinc/07/17/38/398071738.db2.gz ZRUQSRQRNFQYEP-OLZOCXBDSA-N 1 0 235.375 2.165 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000602479929 398074584 /nfs/dbraw/zinc/07/45/84/398074584.db2.gz SIYOBGMDTSCMOY-RDBSUJKOSA-N 1 0 236.359 2.285 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)OCc1ccccc1 ZINC000491801591 398074720 /nfs/dbraw/zinc/07/47/20/398074720.db2.gz DBSWUGUNZVITDI-ZDUSSCGKSA-N 1 0 245.322 2.073 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCc1ccccc1C ZINC000649734248 398074865 /nfs/dbraw/zinc/07/48/65/398074865.db2.gz BWTHAXWZVXKHJZ-HNNXBMFYSA-N 1 0 233.355 2.406 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602694401 398077830 /nfs/dbraw/zinc/07/78/30/398077830.db2.gz MKDDRXDSKFNYPH-KPFVRQRISA-N 1 0 217.316 2.351 20 30 BEEDRO CC(C)(C#N)CCC[NH+]1CCC(C)(CO)CC1 ZINC000186925540 398079273 /nfs/dbraw/zinc/07/92/73/398079273.db2.gz JKHYNLLHMFEXRH-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CC1=CCCOC1 ZINC000602709689 398079393 /nfs/dbraw/zinc/07/93/93/398079393.db2.gz HYYVKWNISWQZEN-LBPRGKRZSA-N 1 0 222.332 2.205 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc(C)c(C)c1 ZINC000650311532 398096092 /nfs/dbraw/zinc/09/60/92/398096092.db2.gz JDJVQXKIUOVCSY-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(n1)CCC2 ZINC000521979593 398104945 /nfs/dbraw/zinc/10/49/45/398104945.db2.gz QWXVGFCVVUYGLG-CABCVRRESA-N 1 0 244.338 2.003 20 30 BEEDRO C#CC[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000192233661 398106910 /nfs/dbraw/zinc/10/69/10/398106910.db2.gz PYCWEZQZGZHFQE-UHFFFAOYSA-N 1 0 209.239 2.072 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000643256859 398118389 /nfs/dbraw/zinc/11/83/89/398118389.db2.gz PGAKHHSVTIICTP-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000643256860 398118701 /nfs/dbraw/zinc/11/87/01/398118701.db2.gz PGAKHHSVTIICTP-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccnc1OC ZINC000193353069 398110925 /nfs/dbraw/zinc/11/09/25/398110925.db2.gz VCOOCWSKIXVKAW-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=CCCC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649802732 398111209 /nfs/dbraw/zinc/11/12/09/398111209.db2.gz TVUHIMOCGMHAHS-LBPRGKRZSA-N 1 0 211.349 2.293 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000648763420 398114311 /nfs/dbraw/zinc/11/43/11/398114311.db2.gz LZTPPUQOQDALCL-SYQHCUMBSA-N 1 0 239.359 2.267 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000528517196 398124581 /nfs/dbraw/zinc/12/45/81/398124581.db2.gz HDDMWVPMVXFYPB-HZSPNIEDSA-N 1 0 248.370 2.163 20 30 BEEDRO C=CCC[N@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649827592 398128553 /nfs/dbraw/zinc/12/85/53/398128553.db2.gz SONHIEVFQUABND-MRXNPFEDSA-N 1 0 244.382 2.421 20 30 BEEDRO CCCC[N@H+](C)CCNc1nc(C)ccc1C#N ZINC000161414655 398128566 /nfs/dbraw/zinc/12/85/66/398128566.db2.gz MMWRNWDEVWAFFP-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO COC[C@H]([NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000086500343 322868550 /nfs/dbraw/zinc/86/85/50/322868550.db2.gz ZKVPKPGQHYCCSR-LBPRGKRZSA-N 1 0 238.356 2.380 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)COc1cc(C)cc(C)c1 ZINC000161947459 487528839 /nfs/dbraw/zinc/52/88/39/487528839.db2.gz QMXURDPXHZIXFG-AWEZNQCLSA-N 1 0 249.354 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)Cc1ccon1 ZINC001172502648 974855457 /nfs/dbraw/zinc/85/54/57/974855457.db2.gz WBLBSUNZEGVSRT-JTQLQIEISA-N 1 0 207.277 2.189 20 30 BEEDRO C=CCCCC[N@@H+]1CCN2C[C@@H](F)C[C@H]2C1 ZINC001648531297 1172842288 /nfs/dbraw/zinc/84/22/88/1172842288.db2.gz UHBGPAASSHMMPP-STQMWFEESA-N 1 0 226.339 2.071 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1C[C@H]1CCc2ncnn21 ZINC001648526719 1172841790 /nfs/dbraw/zinc/84/17/90/1172841790.db2.gz ZGCBEGLPGFOUPI-QWHCGFSZSA-N 1 0 246.358 2.196 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001648526718 1172841979 /nfs/dbraw/zinc/84/19/79/1172841979.db2.gz ZGCBEGLPGFOUPI-OLZOCXBDSA-N 1 0 246.358 2.196 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1CCn1cccn1 ZINC001648526204 1172842146 /nfs/dbraw/zinc/84/21/46/1172842146.db2.gz PKAKNHFWENRQKI-ZDUSSCGKSA-N 1 0 219.332 2.314 20 30 BEEDRO COCC#CC[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597275 487561601 /nfs/dbraw/zinc/56/16/01/487561601.db2.gz VJADPEXNPOMQFE-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000674370742 487566171 /nfs/dbraw/zinc/56/61/71/487566171.db2.gz ARKRFZDRIDEAHB-CQSZACIVSA-N 1 0 227.311 2.400 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000448364429 487568739 /nfs/dbraw/zinc/56/87/39/487568739.db2.gz FXHQJTMXTPQKKP-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448364428 487569994 /nfs/dbraw/zinc/56/99/94/487569994.db2.gz FXHQJTMXTPQKKP-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)OCCC[N@H+](C)Cc1ccc(C#N)o1 ZINC000271176963 167210205 /nfs/dbraw/zinc/21/02/05/167210205.db2.gz GNEHJAVHCQWMLN-UHFFFAOYSA-N 1 0 236.315 2.398 20 30 BEEDRO CCCCN(O)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001651229181 1172932426 /nfs/dbraw/zinc/93/24/26/1172932426.db2.gz GIXDTMZZHAPZAW-LBPRGKRZSA-N 1 0 242.363 2.269 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnc(C3CC3)o2)C1 ZINC001651246091 1172934687 /nfs/dbraw/zinc/93/46/87/1172934687.db2.gz XGLXDPSWURKBQE-GXSJLCMTSA-N 1 0 231.299 2.334 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCC2(CCC2)CC1 ZINC001651273529 1172937550 /nfs/dbraw/zinc/93/75/50/1172937550.db2.gz NOIHVFHTCDCVOU-AWEZNQCLSA-N 1 0 235.371 2.463 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000680403051 487587892 /nfs/dbraw/zinc/58/78/92/487587892.db2.gz HPTJILLFGJEDKD-RYUDHWBXSA-N 1 0 238.331 2.269 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1cscc1Cl ZINC001651500037 1172955852 /nfs/dbraw/zinc/95/58/52/1172955852.db2.gz YYYJFGCDNZYZDQ-JTQLQIEISA-N 1 0 243.759 2.265 20 30 BEEDRO C#CCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000268669131 166148125 /nfs/dbraw/zinc/14/81/25/166148125.db2.gz AGJFETMLXYJZIF-UHFFFAOYSA-N 1 0 208.330 2.300 20 30 BEEDRO C#CCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000273348104 166148272 /nfs/dbraw/zinc/14/82/72/166148272.db2.gz XYRRXOBEKNQNCJ-UHFFFAOYSA-N 1 0 208.330 2.300 20 30 BEEDRO C[NH+](C)CCSc1cc(F)ccc1C#N ZINC001651644125 1172969697 /nfs/dbraw/zinc/96/96/97/1172969697.db2.gz BOLTWLZNAQOYAC-UHFFFAOYSA-N 1 0 224.304 2.351 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000271035876 166128964 /nfs/dbraw/zinc/12/89/64/166128964.db2.gz LRZFJQYTFVTEFT-UHFFFAOYSA-N 1 0 231.295 2.261 20 30 BEEDRO C#CCCC[N@H+]1CCN(C)c2ccccc2C1 ZINC000270998815 166130596 /nfs/dbraw/zinc/13/05/96/166130596.db2.gz FWZVCGCSYAVAGQ-UHFFFAOYSA-N 1 0 228.339 2.352 20 30 BEEDRO C#CCCC[NH2+][C@H](CCO)c1ccc(OC)cc1 ZINC000271715622 166132324 /nfs/dbraw/zinc/13/23/24/166132324.db2.gz VSHABWIVLSYIBW-OAHLLOKOSA-N 1 0 247.338 2.122 20 30 BEEDRO C#CCC[N@H+](C)CCOc1ccccc1C ZINC000268733752 166135013 /nfs/dbraw/zinc/13/50/13/166135013.db2.gz RKXQJSWVRGIWNX-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO C#CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000276891662 166136469 /nfs/dbraw/zinc/13/64/69/166136469.db2.gz YRCODFBHOKXDNC-UHFFFAOYSA-N 1 0 248.301 2.087 20 30 BEEDRO C#CCC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000270589285 166136660 /nfs/dbraw/zinc/13/66/60/166136660.db2.gz JVOIQVSMNYQBFE-UHFFFAOYSA-N 1 0 247.342 2.396 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178313598 487610598 /nfs/dbraw/zinc/61/05/98/487610598.db2.gz XOSQWACBHLHUFW-YYHQMBLXSA-N 1 0 209.333 2.497 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)CCC[NH2+]C ZINC000662603633 409776256 /nfs/dbraw/zinc/77/62/56/409776256.db2.gz YKIYBEJGERYLGI-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@]1(C(=O)N(C)c2ccccc2)CCC[NH2+]1 ZINC000662431585 409713254 /nfs/dbraw/zinc/71/32/54/409713254.db2.gz HZMVQOFEIQCNEP-HNNXBMFYSA-N 1 0 244.338 2.348 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccccc2F)CCC[NH2+]1 ZINC000662433636 409713723 /nfs/dbraw/zinc/71/37/23/409713723.db2.gz MXMXHHFYSNWUBI-AWEZNQCLSA-N 1 0 248.301 2.463 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000662953191 409988111 /nfs/dbraw/zinc/98/81/11/409988111.db2.gz LHUITNYXFFWWDB-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000653162270 410098396 /nfs/dbraw/zinc/09/83/96/410098396.db2.gz WNMZLMKCXJTVPP-WCQYABFASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000653162271 410098552 /nfs/dbraw/zinc/09/85/52/410098552.db2.gz WNMZLMKCXJTVPP-YPMHNXCESA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653255788 410238121 /nfs/dbraw/zinc/23/81/21/410238121.db2.gz FYHRPIKEEAKPGE-LBPRGKRZSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCCF)C1CC1 ZINC000663463012 410258177 /nfs/dbraw/zinc/25/81/77/410258177.db2.gz VOWCRDFWRAAARJ-GFCCVEGCSA-N 1 0 215.312 2.307 20 30 BEEDRO C=CCCCCC[NH2+][C@H](CO)C1CCC1 ZINC000661153090 410307160 /nfs/dbraw/zinc/30/71/60/410307160.db2.gz ISXLDUJIQUAGEL-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)C(C)(C)CC)C1=O ZINC000661231946 410382904 /nfs/dbraw/zinc/38/29/04/410382904.db2.gz SMOCAKYYNNRHDX-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](Cc1ncccc1C)[C@@H](C)COC ZINC000661240587 410402261 /nfs/dbraw/zinc/40/22/61/410402261.db2.gz OTSTUQWNPHSVIE-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@@H+](CCc1ccccn1)[C@H](C)COC ZINC000661247634 410408926 /nfs/dbraw/zinc/40/89/26/410408926.db2.gz PYUVRNUZMVVBBB-CYBMUJFWSA-N 1 0 234.343 2.147 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)OC)Cc1ccccc1 ZINC000153207190 166170322 /nfs/dbraw/zinc/17/03/22/166170322.db2.gz CVFNKCJMCNJKIA-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H](C)[C@H](C)OC ZINC000271474045 166200344 /nfs/dbraw/zinc/20/03/44/166200344.db2.gz MFKSZGODXVUCML-OLZOCXBDSA-N 1 0 247.338 2.212 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCC ZINC000020084224 166200596 /nfs/dbraw/zinc/20/05/96/166200596.db2.gz OLVWYCRKWFRENQ-UHFFFAOYSA-N 1 0 203.285 2.198 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)[C@H](C)OC ZINC000271474050 166200600 /nfs/dbraw/zinc/20/06/00/166200600.db2.gz MFKSZGODXVUCML-STQMWFEESA-N 1 0 247.338 2.212 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H](O)CSC)c1ccccc1 ZINC000275189796 166205907 /nfs/dbraw/zinc/20/59/07/166205907.db2.gz ORRCDSAHNYHTEP-UONOGXRCSA-N 1 0 249.379 2.065 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2c1OCO2)C(C)C ZINC000289314874 166219252 /nfs/dbraw/zinc/21/92/52/166219252.db2.gz FECYYZSOEVYPFZ-LBPRGKRZSA-N 1 0 231.295 2.163 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(OC)cn1 ZINC000271762677 166233166 /nfs/dbraw/zinc/23/31/66/166233166.db2.gz AFYHMSCVWONSQN-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000268411493 166234098 /nfs/dbraw/zinc/23/40/98/166234098.db2.gz ASRYICWVIDYWSA-GFCCVEGCSA-N 1 0 234.347 2.259 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000279848952 166243198 /nfs/dbraw/zinc/24/31/98/166243198.db2.gz DEYOPKLNBHQXKE-GFCCVEGCSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000343260398 166245337 /nfs/dbraw/zinc/24/53/37/166245337.db2.gz QGFCGESTNBDUAJ-QWHCGFSZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(OC)n1 ZINC000276443807 166258570 /nfs/dbraw/zinc/25/85/70/166258570.db2.gz OVQIZKIUXUIEQB-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc2c(c1)c(C)nn2C ZINC000276448036 166259616 /nfs/dbraw/zinc/25/96/16/166259616.db2.gz PGKVNZIBXJGNPJ-UHFFFAOYSA-N 1 0 244.342 2.285 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000177055245 166259630 /nfs/dbraw/zinc/25/96/30/166259630.db2.gz UCJVANCTAAZNPW-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1 ZINC000276488231 166259845 /nfs/dbraw/zinc/25/98/45/166259845.db2.gz UMCCLABJVKSVKY-ZDUSSCGKSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271810281 166266401 /nfs/dbraw/zinc/26/64/01/166266401.db2.gz LWZUKKMMAOWCIK-LLVKDONJSA-N 1 0 244.338 2.432 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](SC)[C@@H](N2CCCC2)C1 ZINC000338563055 166267658 /nfs/dbraw/zinc/26/76/58/166267658.db2.gz HYUIGUCQFWCIHN-QWHCGFSZSA-N 1 0 240.416 2.074 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000338564282 166267669 /nfs/dbraw/zinc/26/76/69/166267669.db2.gz PZDYFMBXYWDASY-TZMCWYRMSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CCN(CC)CC1 ZINC000126728945 166292966 /nfs/dbraw/zinc/29/29/66/166292966.db2.gz HTEIAVNMYOIHAI-GFCCVEGCSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187825638 166293127 /nfs/dbraw/zinc/29/31/27/166293127.db2.gz RMQQIXKZMBIOOP-SUNKGSAMSA-N 1 0 217.378 2.040 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(=O)NC)c1ccccc1 ZINC000269459782 166295480 /nfs/dbraw/zinc/29/54/80/166295480.db2.gz XPNFHXAVVUYAOA-CYBMUJFWSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(C)(C)OCCO)C1CC1 ZINC000352525414 166295892 /nfs/dbraw/zinc/29/58/92/166295892.db2.gz GJZQQZMEAPADRK-CYBMUJFWSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000268530087 166303657 /nfs/dbraw/zinc/30/36/57/166303657.db2.gz IIJQBGBEEHAMEZ-ZDUSSCGKSA-N 1 0 235.327 2.151 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000268533583 166303924 /nfs/dbraw/zinc/30/39/24/166303924.db2.gz JEGXFOWSHSDKSV-GXTWGEPZSA-N 1 0 234.343 2.479 20 30 BEEDRO C=CC[N@@H+](C)Cc1c(C)nn(CC)c1C ZINC000154781952 166321689 /nfs/dbraw/zinc/32/16/89/166321689.db2.gz WZHYTMHWSXOLDV-UHFFFAOYSA-N 1 0 207.321 2.138 20 30 BEEDRO C=CC[N@@H+](CC)C[C@@H]1COc2ccccc2O1 ZINC000061761172 166325396 /nfs/dbraw/zinc/32/53/96/166325396.db2.gz QVMYGKSDSGNOPG-GFCCVEGCSA-N 1 0 233.311 2.334 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](CC)CCC ZINC000270687204 166330827 /nfs/dbraw/zinc/33/08/27/166330827.db2.gz DPNZUTAGUFMFQE-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCN(CC=C)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000020071302 166334387 /nfs/dbraw/zinc/33/43/87/166334387.db2.gz KKTGQMCFDOPFLA-INIZCTEOSA-N 1 0 242.366 2.375 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)N1CCCCC1 ZINC000067457723 166335174 /nfs/dbraw/zinc/33/51/74/166335174.db2.gz QWEZSYXZEQLWCA-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cccc(N)c1 ZINC000020071223 166336865 /nfs/dbraw/zinc/33/68/65/166336865.db2.gz JXAPAOQMHGWLDI-UHFFFAOYSA-N 1 0 202.301 2.443 20 30 BEEDRO C=CC[NH+](CC=C)Cc1nc(C)ccc1O ZINC000158123184 166337209 /nfs/dbraw/zinc/33/72/09/166337209.db2.gz NDUFFDMNYKLNIZ-UHFFFAOYSA-N 1 0 218.300 2.270 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1CCC(C)(C)O1 ZINC000189421861 166342674 /nfs/dbraw/zinc/34/26/74/166342674.db2.gz QDBKQDWVWTYKNY-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[NH+]1CCC(N[C@@H](C)c2cc(C)on2)CC1 ZINC000279592326 166352391 /nfs/dbraw/zinc/35/23/91/166352391.db2.gz OKPBSLWUXZCBJH-LBPRGKRZSA-N 1 0 249.358 2.284 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)c2ccccn2)CC1 ZINC000179470899 166352569 /nfs/dbraw/zinc/35/25/69/166352569.db2.gz XQKDZFVIEZNGMZ-ZDUSSCGKSA-N 1 0 245.370 2.383 20 30 BEEDRO C=CC[NH+]1CCC(Nc2nnc(C3CC3)o2)CC1 ZINC000276526806 166353006 /nfs/dbraw/zinc/35/30/06/166353006.db2.gz VLEZTNWQTQPJQE-UHFFFAOYSA-N 1 0 248.330 2.009 20 30 BEEDRO C=CC[NH+]1CCC(Nc2nc(C)cnc2C)CC1 ZINC000273833532 166353569 /nfs/dbraw/zinc/35/35/69/166353569.db2.gz GKEINRPPPXCPJW-UHFFFAOYSA-N 1 0 246.358 2.156 20 30 BEEDRO C=CC[NH+]1CCC(c2cc(C)n[nH]2)CC1 ZINC000271644862 166353624 /nfs/dbraw/zinc/35/36/24/166353624.db2.gz QPNXVPKXAYGYOE-UHFFFAOYSA-N 1 0 205.305 2.084 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CC=CCC2)CC1 ZINC000171722448 166353863 /nfs/dbraw/zinc/35/38/63/166353863.db2.gz GLOFEYFOSOKNHP-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000046171310 166355415 /nfs/dbraw/zinc/35/54/15/166355415.db2.gz GFGKQCLNGPUBRW-UHFFFAOYSA-N 1 0 230.355 2.299 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](c1ccccc1)C(C)C ZINC000263861661 166370448 /nfs/dbraw/zinc/37/04/48/166370448.db2.gz DMDXXUJQMCORNZ-HNNXBMFYSA-N 1 0 246.354 2.276 20 30 BEEDRO C=CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000264067861 166387282 /nfs/dbraw/zinc/38/72/82/166387282.db2.gz FIJLSFWQUQWBDZ-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCc2cn[nH]c2)C1 ZINC000661387308 410605067 /nfs/dbraw/zinc/60/50/67/410605067.db2.gz XTWVVLNGXAZMLF-LBPRGKRZSA-N 1 0 219.332 2.240 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000661384276 410599882 /nfs/dbraw/zinc/59/98/82/410599882.db2.gz HZPDGKMPWJAFLH-CHWSQXEVSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000661385883 410602492 /nfs/dbraw/zinc/60/24/92/410602492.db2.gz QMIRWUDYOBRCGC-NSHDSACASA-N 1 0 205.305 2.198 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cn[nH]c2)C1 ZINC000661385875 410602509 /nfs/dbraw/zinc/60/25/09/410602509.db2.gz QMIRWUDYOBRCGC-LLVKDONJSA-N 1 0 205.305 2.198 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2ncccn2)C1 ZINC000661386925 410604603 /nfs/dbraw/zinc/60/46/03/410604603.db2.gz WPVWMQPTSPQWEK-LBPRGKRZSA-N 1 0 217.316 2.265 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]([NH3+])CC(C)C ZINC000655488269 410792665 /nfs/dbraw/zinc/79/26/65/410792665.db2.gz BAGDVPMNTPCLLZ-GFCCVEGCSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCCCCNC(=O)c1ccc(C[NH3+])o1 ZINC000655489332 410798332 /nfs/dbraw/zinc/79/83/32/410798332.db2.gz YOYVPFKWHBPLBJ-UHFFFAOYSA-N 1 0 236.315 2.215 20 30 BEEDRO CCCCCCCC[C@H](CC)[NH2+]C(CO)CO ZINC001172506657 974860666 /nfs/dbraw/zinc/86/06/66/974860666.db2.gz YLIDUHWHOPDFPR-ZDUSSCGKSA-N 1 0 245.407 2.458 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)[C@@H]1CCCOC1 ZINC001172506529 974860685 /nfs/dbraw/zinc/86/06/85/974860685.db2.gz VOPACHSFHFHNTD-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)CCF ZINC000652019083 410998676 /nfs/dbraw/zinc/99/86/76/410998676.db2.gz JITWKCFGHKITTI-WDEREUQCSA-N 1 0 203.301 2.041 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1ccc(C#N)cn1 ZINC000071953081 169796268 /nfs/dbraw/zinc/79/62/68/169796268.db2.gz JWWMKRJZMPXHNH-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO COc1ncccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192651892 411073996 /nfs/dbraw/zinc/07/39/96/411073996.db2.gz QSQIRBZAWGRALN-AAEUAGOBSA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152420 411132435 /nfs/dbraw/zinc/13/24/35/411132435.db2.gz XMIIMAOAKFJJAJ-RISCZKNCSA-N 1 0 248.301 2.237 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCN(C)CC2)C1 ZINC000651669391 411133793 /nfs/dbraw/zinc/13/37/93/411133793.db2.gz SCMBKONVKZOIFK-GXTWGEPZSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)CC)C1 ZINC000651671799 411134671 /nfs/dbraw/zinc/13/46/71/411134671.db2.gz DKSHJTRJJFSSSU-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)C1 ZINC000651694686 411136733 /nfs/dbraw/zinc/13/67/33/411136733.db2.gz NIDYGKMYRMYOSS-QJPTWQEYSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCCn2cncn2)C1 ZINC000651703367 411137379 /nfs/dbraw/zinc/13/73/79/411137379.db2.gz WKDCFNVACPEJSW-OLZOCXBDSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CCC)C1 ZINC000651709429 411137661 /nfs/dbraw/zinc/13/76/61/411137661.db2.gz WTWNFAABXGDIMC-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)C(C)C)C1 ZINC000651727845 411139451 /nfs/dbraw/zinc/13/94/51/411139451.db2.gz CRGVNCYHQWILRK-JHJVBQTASA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc2cnccc2o1 ZINC000651733720 411139558 /nfs/dbraw/zinc/13/95/58/411139558.db2.gz RLCVCFXVAYPMAW-SECBINFHSA-N 1 0 202.257 2.492 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000651753623 411141219 /nfs/dbraw/zinc/14/12/19/411141219.db2.gz YULNAHJAZKEXRV-ZOBORPQBSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[C@H](C)O)C1 ZINC000651759548 411142046 /nfs/dbraw/zinc/14/20/46/411142046.db2.gz UGYWSPHSTOWLIJ-RVMXOQNASA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000651762155 411142132 /nfs/dbraw/zinc/14/21/32/411142132.db2.gz BDFZJANXSIKCRP-OCCSQVGLSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000651763329 411142349 /nfs/dbraw/zinc/14/23/49/411142349.db2.gz RLAHVFCCTKDOTJ-MCIONIFRSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCCC[C@@H]1C ZINC000651761401 411142392 /nfs/dbraw/zinc/14/23/92/411142392.db2.gz QUHISAQNQGHLMF-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cc2cnccc2o1 ZINC000651784854 411143450 /nfs/dbraw/zinc/14/34/50/411143450.db2.gz GBAJTJUAXADYNK-UHFFFAOYSA-N 1 0 246.310 2.462 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](COC)CC(C)(C)C ZINC000651822498 411146053 /nfs/dbraw/zinc/14/60/53/411146053.db2.gz ZPGLYEUCLLCHOT-XQQFMLRXSA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cn(C)cn2)C1 ZINC000651828669 411146477 /nfs/dbraw/zinc/14/64/77/411146477.db2.gz YEHYITNJVRGDFK-QWHCGFSZSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(C)C)C1 ZINC000651831740 411146696 /nfs/dbraw/zinc/14/66/96/411146696.db2.gz GBWUTWYOZJHRBD-YNEHKIRRSA-N 1 0 238.375 2.234 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)NC(C)C)C1 ZINC000651831737 411146766 /nfs/dbraw/zinc/14/67/66/411146766.db2.gz GBWUTWYOZJHRBD-JHJVBQTASA-N 1 0 238.375 2.234 20 30 BEEDRO C[C@@H]1CN([C@@H](C#N)c2ccccc2)C[C@H](C)[N@H+]1C ZINC000595504751 411150756 /nfs/dbraw/zinc/15/07/56/411150756.db2.gz ILTKDEWTUKVTFG-GUTXKFCHSA-N 1 0 243.354 2.276 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCC ZINC000657889717 411154451 /nfs/dbraw/zinc/15/44/51/411154451.db2.gz TWTBGFHRLOHBBW-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(CO)CC1 ZINC000657897783 411158957 /nfs/dbraw/zinc/15/89/57/411158957.db2.gz INKVYHVUPGRACV-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661692988 411160600 /nfs/dbraw/zinc/16/06/00/411160600.db2.gz JRGKZTGYLJUOPP-QWHCGFSZSA-N 1 0 229.339 2.385 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC1(CO)CCC1 ZINC000652037877 411088907 /nfs/dbraw/zinc/08/89/07/411088907.db2.gz AXZOYJXAALHEKH-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000652046042 411095580 /nfs/dbraw/zinc/09/55/80/411095580.db2.gz LLQZIIJEHNYCTM-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661642722 411119152 /nfs/dbraw/zinc/11/91/52/411119152.db2.gz AZVNABCBRPDUNH-MRXNPFEDSA-N 1 0 244.382 2.421 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCN1CCC1 ZINC000657930726 411170900 /nfs/dbraw/zinc/17/09/00/411170900.db2.gz KIWKZZXNNVLKKN-ZIAGYGMSSA-N 1 0 222.376 2.417 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528760274 411242525 /nfs/dbraw/zinc/24/25/25/411242525.db2.gz RNWHHKOYYUJCQL-LVEVGFFFSA-N 1 0 210.321 2.080 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCCSCC1 ZINC000657934221 411171811 /nfs/dbraw/zinc/17/18/11/411171811.db2.gz XWNBZCPNVBODRL-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)cc1F)C1CC1 ZINC000292933266 411172048 /nfs/dbraw/zinc/17/20/48/411172048.db2.gz HBWVIVNCAMPSKY-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)(C)C(N)=O ZINC000657939352 411174683 /nfs/dbraw/zinc/17/46/83/411174683.db2.gz TWLIKYJUYSXESP-VXGBXAGGSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCn1cncn1 ZINC000657943118 411176520 /nfs/dbraw/zinc/17/65/20/411176520.db2.gz IPTPEWKFSTUUJW-UONOGXRCSA-N 1 0 248.374 2.393 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](COC)OC ZINC000657968780 411182234 /nfs/dbraw/zinc/18/22/34/411182234.db2.gz FEVKACNIWNZVND-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCSCC1 ZINC000657972659 411184208 /nfs/dbraw/zinc/18/42/08/411184208.db2.gz SXEALEFBFZHSQD-NSHDSACASA-N 1 0 215.362 2.064 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)CC ZINC000657981332 411187342 /nfs/dbraw/zinc/18/73/42/411187342.db2.gz UKORSZXEAVQGEG-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653813015 411189774 /nfs/dbraw/zinc/18/97/74/411189774.db2.gz WRFJXOLMNVYATP-CYBMUJFWSA-N 1 0 207.317 2.043 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1CCSCC1 ZINC000229257074 411190144 /nfs/dbraw/zinc/19/01/44/411190144.db2.gz ZCQDRVHQDXLBHQ-NSHDSACASA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](COC)C1CCOCC1 ZINC000658097262 411244939 /nfs/dbraw/zinc/24/49/39/411244939.db2.gz SONOESCCGYDIIO-TZMCWYRMSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCC[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000653874008 411204141 /nfs/dbraw/zinc/20/41/41/411204141.db2.gz ZKJXACHUKPVRIG-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](COC)CC1CCOCC1 ZINC000658027076 411204235 /nfs/dbraw/zinc/20/42/35/411204235.db2.gz JLIPTBVQHKYPDV-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000658028003 411204251 /nfs/dbraw/zinc/20/42/51/411204251.db2.gz BVMABBVBEWHASG-UPJWGTAASA-N 1 0 237.343 2.021 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000658028007 411204590 /nfs/dbraw/zinc/20/45/90/411204590.db2.gz BWSKRMSPDVROHC-MNOVXSKESA-N 1 0 231.286 2.007 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CC(CF)(CF)C1 ZINC000658029820 411206874 /nfs/dbraw/zinc/20/68/74/411206874.db2.gz MCJMVVJTIZEALO-NEPJUHHUSA-N 1 0 245.313 2.397 20 30 BEEDRO C=CCC1(C[NH2+][C@H](C)Cn2cncn2)CCCC1 ZINC000658030010 411207461 /nfs/dbraw/zinc/20/74/61/411207461.db2.gz VEWSXTJGJMQMTA-CYBMUJFWSA-N 1 0 248.374 2.393 20 30 BEEDRO C=C(CC)C[NH2+][C@H](COC)CC1CCOCC1 ZINC000658031751 411207677 /nfs/dbraw/zinc/20/76/77/411207677.db2.gz HVQNOVMAKGWYQZ-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCSCC1 ZINC000658031946 411210666 /nfs/dbraw/zinc/21/06/66/411210666.db2.gz KTIUTHWPXYFKOT-VXGBXAGGSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@](C)(CO)OC ZINC000658049013 411218026 /nfs/dbraw/zinc/21/80/26/411218026.db2.gz ZXNNNBVFJITQOJ-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000658113254 411247304 /nfs/dbraw/zinc/24/73/04/411247304.db2.gz GCMPONZZTVDSOE-GFCCVEGCSA-N 1 0 242.326 2.494 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000658070943 411231963 /nfs/dbraw/zinc/23/19/63/411231963.db2.gz BEPQHJMHAFTYNE-XDQVBPFNSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000658113255 411247613 /nfs/dbraw/zinc/24/76/13/411247613.db2.gz GCMPONZZTVDSOE-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]([NH3+])C1CCC1 ZINC000423202953 411237736 /nfs/dbraw/zinc/23/77/36/411237736.db2.gz LPOWYDZBURNPQP-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)C1CCC1 ZINC000658087676 411238798 /nfs/dbraw/zinc/23/87/98/411238798.db2.gz MDCKYUVOWBZVRH-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)C1CCC1 ZINC000658089099 411241228 /nfs/dbraw/zinc/24/12/28/411241228.db2.gz WZXMOJVJFKWWLQ-GMXVVIOVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1(CO)CC1 ZINC000658159501 411272372 /nfs/dbraw/zinc/27/23/72/411272372.db2.gz KFOJSWYMPMTCPM-SDDRHHMPSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(CC)Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000656452346 411273338 /nfs/dbraw/zinc/27/33/38/411273338.db2.gz DJKXPSUNGFDVOJ-UHFFFAOYSA-N 1 0 242.326 2.370 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1nccn1CC ZINC000658204708 411291764 /nfs/dbraw/zinc/29/17/64/411291764.db2.gz ANHPAONJTPYNKV-LBPRGKRZSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000658204803 411291970 /nfs/dbraw/zinc/29/19/70/411291970.db2.gz BRAPGXQAXIFRRO-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCCSCC1 ZINC000658205786 411292828 /nfs/dbraw/zinc/29/28/28/411292828.db2.gz JPOGJZFGJFTZQR-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000658205533 411292883 /nfs/dbraw/zinc/29/28/83/411292883.db2.gz IBVXYQSQVIKVTG-XQQFMLRXSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000658208235 411294228 /nfs/dbraw/zinc/29/42/28/411294228.db2.gz YXLNBKPMRMVYHB-GFCCVEGCSA-N 1 0 249.358 2.073 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658251316 411314576 /nfs/dbraw/zinc/31/45/76/411314576.db2.gz GPDVGXBBAMPSPJ-RVMXOQNASA-N 1 0 223.360 2.480 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000658116038 411248866 /nfs/dbraw/zinc/24/88/66/411248866.db2.gz YHSZUIOCYONXMJ-SNVBAGLBSA-N 1 0 246.310 2.244 20 30 BEEDRO C=CCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655768918 411251590 /nfs/dbraw/zinc/25/15/90/411251590.db2.gz SAAFSPGGAUULGR-UHFFFAOYSA-N 1 0 219.332 2.275 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655771790 411254703 /nfs/dbraw/zinc/25/47/03/411254703.db2.gz FTCBVAZBRHYYRI-YFKTTZPYSA-N 1 0 227.373 2.204 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccn1C ZINC000662078216 411358393 /nfs/dbraw/zinc/35/83/93/411358393.db2.gz CSKVICBMBPJKDI-TXEJJXNPSA-N 1 0 217.316 2.103 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCNC(=O)CC1 ZINC000662089432 411359178 /nfs/dbraw/zinc/35/91/78/411359178.db2.gz YRQTUAIEWBFXJM-MCIONIFRSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662115691 411362887 /nfs/dbraw/zinc/36/28/87/411362887.db2.gz PDONGCAONAZUPK-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000659019672 411367435 /nfs/dbraw/zinc/36/74/35/411367435.db2.gz RZHZJTRSOSZWPP-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000659016967 411367462 /nfs/dbraw/zinc/36/74/62/411367462.db2.gz BSSUQNZQJQYJKH-UHFFFAOYSA-N 1 0 245.326 2.030 20 30 BEEDRO C=CCCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000659023894 411369019 /nfs/dbraw/zinc/36/90/19/411369019.db2.gz STVCRTXAQVBDRG-UHFFFAOYSA-N 1 0 233.315 2.151 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)nn1 ZINC000653761318 411339027 /nfs/dbraw/zinc/33/90/27/411339027.db2.gz LQMTXLXZIGKFPZ-XBFCOCLRSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nccn1C ZINC000658335539 411343484 /nfs/dbraw/zinc/34/34/84/411343484.db2.gz BGYCRCGTNRWKSL-WDEREUQCSA-N 1 0 207.321 2.425 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)cc2)CCOCC1 ZINC000131140112 168062664 /nfs/dbraw/zinc/06/26/64/168062664.db2.gz VGEKXABHACQYJX-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO CC1(O)CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000177334394 168067530 /nfs/dbraw/zinc/06/75/30/168067530.db2.gz AONHIEYIXUSMLL-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO CC1=C[C@H](C)C[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335331408 168127792 /nfs/dbraw/zinc/12/77/92/168127792.db2.gz JYZIQQMNDGYGTE-NSHDSACASA-N 1 0 229.327 2.295 20 30 BEEDRO CC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000080249477 168146498 /nfs/dbraw/zinc/14/64/98/168146498.db2.gz CFLHEPULVUXPDW-UHFFFAOYSA-N 1 0 200.285 2.446 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)C2CCCC2)nn1 ZINC000653484917 411375994 /nfs/dbraw/zinc/37/59/94/411375994.db2.gz LMIBGCHRRHYHCK-UHFFFAOYSA-N 1 0 234.347 2.229 20 30 BEEDRO CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000261048860 168182697 /nfs/dbraw/zinc/18/26/97/168182697.db2.gz JDOFTGMOJITJFU-UHFFFAOYSA-N 1 0 217.316 2.129 20 30 BEEDRO C=CCCn1cc(C[NH+](CCC)CCC)nn1 ZINC000653494343 411388027 /nfs/dbraw/zinc/38/80/27/411388027.db2.gz YVIWCSGXATVZQP-UHFFFAOYSA-N 1 0 236.363 2.476 20 30 BEEDRO CCCC[NH+]1CCN([C@H](C)CCCC#N)CC1 ZINC001172507129 974861936 /nfs/dbraw/zinc/86/19/36/974861936.db2.gz PNGBNVJFTGIDLQ-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000491294657 411392313 /nfs/dbraw/zinc/39/23/13/411392313.db2.gz CKFIRHUCCOVALI-NSHDSACASA-N 1 0 214.312 2.024 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000657237227 411423499 /nfs/dbraw/zinc/42/34/99/411423499.db2.gz LJWQAVSAVZIKDK-YNEHKIRRSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@@H](C)C2(C)CC2)nn1 ZINC000653567438 411423809 /nfs/dbraw/zinc/42/38/09/411423809.db2.gz IMMLBQFJBKXKNM-LBPRGKRZSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@](C)(CC)C2)nn1 ZINC000653568887 411423872 /nfs/dbraw/zinc/42/38/72/411423872.db2.gz QSABQVJTAKUWLQ-AWEZNQCLSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C)[C@H](C)CC)nn1 ZINC000653605429 411431882 /nfs/dbraw/zinc/43/18/82/411431882.db2.gz WRWLRKADSKXDMN-NEPJUHHUSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CC=CCC2)nn1 ZINC000657333061 411463573 /nfs/dbraw/zinc/46/35/73/411463573.db2.gz UUIFMPOOBAZQQX-CYBMUJFWSA-N 1 0 246.358 2.300 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCNC1=O ZINC000657285128 411442930 /nfs/dbraw/zinc/44/29/30/411442930.db2.gz ZRSQEQKRIGUDMF-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCNC1=O ZINC000657285130 411443327 /nfs/dbraw/zinc/44/33/27/411443327.db2.gz ZRSQEQKRIGUDMF-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655739063 411444804 /nfs/dbraw/zinc/44/48/04/411444804.db2.gz VLRVOUPVDBDOTK-NSHDSACASA-N 1 0 219.332 2.274 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@@H]2CC)nn1 ZINC000653621492 411446486 /nfs/dbraw/zinc/44/64/86/411446486.db2.gz OXEJMILNECIBMY-JSGCOSHPSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCNC1=O ZINC000657276660 411448102 /nfs/dbraw/zinc/44/81/02/411448102.db2.gz OOJYFIUFAOKNAB-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657363804 411481101 /nfs/dbraw/zinc/48/11/01/411481101.db2.gz PBEPPIJAINACRT-MRVPVSSYSA-N 1 0 247.264 2.493 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CCC)C1CCC1 ZINC000657378809 411487356 /nfs/dbraw/zinc/48/73/56/411487356.db2.gz SLKSKYPSHTVYER-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCOCC[NH2+]Cc1nccn1C(C)C ZINC000657418329 411501828 /nfs/dbraw/zinc/50/18/28/411501828.db2.gz CYOVYNKYTXPUPS-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000659941532 411504711 /nfs/dbraw/zinc/50/47/11/411504711.db2.gz OWMUJFDYPKOUBN-UHFFFAOYSA-N 1 0 219.332 2.491 20 30 BEEDRO C=CC[C@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000336746357 411504944 /nfs/dbraw/zinc/50/49/44/411504944.db2.gz BHEXWEHVHDXPKR-JTQLQIEISA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657439215 411508314 /nfs/dbraw/zinc/50/83/14/411508314.db2.gz XDYSHLOQSAICSV-UHFFFAOYSA-N 1 0 234.347 2.449 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657456077 411516241 /nfs/dbraw/zinc/51/62/41/411516241.db2.gz VPXZPQZYKOXIPK-UHFFFAOYSA-N 1 0 247.264 2.495 20 30 BEEDRO C[NH2+]CCN([C@@H](C)CCCC#N)C(C)(C)C ZINC001172508969 974862004 /nfs/dbraw/zinc/86/20/04/974862004.db2.gz IGTKPUIRZBROLB-LBPRGKRZSA-N 1 0 225.380 2.389 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2(C3(C)CC3)CC2)nn1 ZINC000657485777 411529763 /nfs/dbraw/zinc/52/97/63/411529763.db2.gz RMLKMRUCBTYQGU-UHFFFAOYSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655828257 411530501 /nfs/dbraw/zinc/53/05/01/411530501.db2.gz BNMWYVRRXRVTCR-RYUDHWBXSA-N 1 0 248.374 2.007 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2CC3(CCC3)C2)nn1 ZINC000657503188 411539439 /nfs/dbraw/zinc/53/94/39/411539439.db2.gz DKTXVJSPOWICIO-UHFFFAOYSA-N 1 0 246.358 2.277 20 30 BEEDRO CC[NH2+]CCNc1cc(Cl)ccc1C#N ZINC000062785907 170116733 /nfs/dbraw/zinc/11/67/33/170116733.db2.gz SGURIOGVWPVWQA-UHFFFAOYSA-N 1 0 223.707 2.233 20 30 BEEDRO C=CCC[NH2+]Cc1ccccc1OCCOC ZINC000657582928 411554582 /nfs/dbraw/zinc/55/45/82/411554582.db2.gz NYBHJDLFPRJVJK-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCC[NH2+]Cc1cc2cnccc2o1 ZINC000657584016 411555343 /nfs/dbraw/zinc/55/53/43/411555343.db2.gz VMOCODUWQUWJKW-UHFFFAOYSA-N 1 0 202.257 2.494 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C)nc(C)n1 ZINC000660221454 411555772 /nfs/dbraw/zinc/55/57/72/411555772.db2.gz PMHVCBITNCSRKC-UHFFFAOYSA-N 1 0 205.305 2.101 20 30 BEEDRO C=CCC1([NH2+]Cc2cccnc2)CCOCC1 ZINC000657632273 411566905 /nfs/dbraw/zinc/56/69/05/411566905.db2.gz DLMADPCZAITEBP-UHFFFAOYSA-N 1 0 232.327 2.297 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660258492 411561574 /nfs/dbraw/zinc/56/15/74/411561574.db2.gz OXHVSDCQGGUPLG-LLVKDONJSA-N 1 0 234.347 2.231 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc(O)c1 ZINC000657655707 411570996 /nfs/dbraw/zinc/57/09/96/411570996.db2.gz FBIXWWOQTYWMGP-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C=CCOCCC[NH2+]Cc1scnc1C ZINC000657657919 411572005 /nfs/dbraw/zinc/57/20/05/411572005.db2.gz GDQSDRIAOHOOAH-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000657659265 411572708 /nfs/dbraw/zinc/57/27/08/411572708.db2.gz UPUIEEGTLFSFNC-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCN(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000660328801 411569648 /nfs/dbraw/zinc/56/96/48/411569648.db2.gz PUABTPMNRXDASS-CHWSQXEVSA-N 1 0 210.365 2.082 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](CC)C2CC2)nn1 ZINC000657679744 411580836 /nfs/dbraw/zinc/58/08/36/411580836.db2.gz FDLAFADKTOPVDD-ZDUSSCGKSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@@H]1[N@@H+](CCc2cn[nH]n2)CCCC1(C)C ZINC000660421992 411583118 /nfs/dbraw/zinc/58/31/18/411583118.db2.gz ADMPIAZYRLQGPC-ZDUSSCGKSA-N 1 0 248.374 2.414 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](OC)[C@@H]1CCOC1 ZINC000660430392 411583310 /nfs/dbraw/zinc/58/33/10/411583310.db2.gz SYNXRXFDOZSIGK-MCIONIFRSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCC1([NH2+]Cc2ncc[nH]2)CCCC1 ZINC000657702309 411583352 /nfs/dbraw/zinc/58/33/52/411583352.db2.gz JBQBUJPIUSGMGB-UHFFFAOYSA-N 1 0 205.305 2.388 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2=CCCC2)nn1 ZINC000657749725 411592572 /nfs/dbraw/zinc/59/25/72/411592572.db2.gz KLDJVKATWALPOS-UHFFFAOYSA-N 1 0 232.331 2.054 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1ccnn1C ZINC000657805969 411600595 /nfs/dbraw/zinc/60/05/95/411600595.db2.gz ZLCQUWUEYNOJJO-UHFFFAOYSA-N 1 0 207.321 2.255 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000657823520 411606840 /nfs/dbraw/zinc/60/68/40/411606840.db2.gz MJZBFTZCFXTMIO-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nncn1C ZINC000657833605 411608743 /nfs/dbraw/zinc/60/87/43/411608743.db2.gz HIDANEIESKRSRI-NWDGAFQWSA-N 1 0 234.347 2.040 20 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30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@@H](C)CC ZINC000661108239 411711593 /nfs/dbraw/zinc/71/15/93/411711593.db2.gz XFIYQBNTBBRYFB-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCOCCF ZINC000663463752 411665662 /nfs/dbraw/zinc/66/56/62/411665662.db2.gz NWQNVOLSIIYRRP-NSHDSACASA-N 1 0 203.301 2.307 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCOCCF ZINC000663464018 411665807 /nfs/dbraw/zinc/66/58/07/411665807.db2.gz PJCGQEIPUMACRC-WDEREUQCSA-N 1 0 203.301 2.163 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660930215 411681128 /nfs/dbraw/zinc/68/11/28/411681128.db2.gz LBYNZONTTLABMN-XQQFMLRXSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000661215351 411734425 /nfs/dbraw/zinc/73/44/25/411734425.db2.gz MYAUIOMXECDBLY-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1CCCCO1)[C@H](C)COC ZINC000661238326 411738975 /nfs/dbraw/zinc/73/89/75/411738975.db2.gz BDCLPJNJYDFBOB-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[N@H+](Cc1ccc(C)nc1)[C@H](C)COC ZINC000661241204 411740741 /nfs/dbraw/zinc/74/07/41/411740741.db2.gz YCIAIOXBTLDBOS-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](CC1CCC(=O)CC1)[C@H](C)COC ZINC000661240120 411740957 /nfs/dbraw/zinc/74/09/57/411740957.db2.gz LWZYAOJNKVKBLF-GFCCVEGCSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)CCC)C1 ZINC000661385823 411753719 /nfs/dbraw/zinc/75/37/19/411753719.db2.gz QENOGPDZGJQWMW-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC(C)(C)C)C1 ZINC000661378373 411760732 /nfs/dbraw/zinc/76/07/32/411760732.db2.gz DZVNEPAQNWDYOA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000661380063 411761729 /nfs/dbraw/zinc/76/17/29/411761729.db2.gz DLXWQGSLBDVPGF-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661489371 411787289 /nfs/dbraw/zinc/78/72/89/411787289.db2.gz ANXIYJRXXGSGTL-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723610 411861310 /nfs/dbraw/zinc/86/13/10/411861310.db2.gz QKLAWNSRLSRNTF-QWHCGFSZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC1([NH2+]CC(=O)NCC(C)C)CCCC1 ZINC000661850752 411901630 /nfs/dbraw/zinc/90/16/30/411901630.db2.gz YZWGXKQITWIODC-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC000661860462 411906759 /nfs/dbraw/zinc/90/67/59/411906759.db2.gz ATLCJFHVJDTHHI-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000661955284 411919782 /nfs/dbraw/zinc/91/97/82/411919782.db2.gz FIXKOWWMMIIBCY-UHFFFAOYSA-N 1 0 207.317 2.398 20 30 BEEDRO C=CCOCC[N@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661978581 411933449 /nfs/dbraw/zinc/93/34/49/411933449.db2.gz MSVVHTPHAQSXMA-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO CC#CC[N@@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661979678 411934456 /nfs/dbraw/zinc/93/44/56/411934456.db2.gz BBLCKTNJOYIELH-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO CC#CCC[N@@H+]1CC2(CCCC2)OC[C@H]1C ZINC000661981078 411934772 /nfs/dbraw/zinc/93/47/72/411934772.db2.gz MIQVJQMLOFDLNK-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CC[N@@H+](CCn1ccnc1C)C(C)(C)C ZINC000661759745 411871186 /nfs/dbraw/zinc/87/11/86/411871186.db2.gz JWXVTCAXDBMGPZ-UHFFFAOYSA-N 1 0 221.348 2.478 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)CCOCC)C(C)(C)C ZINC000661759206 411871984 /nfs/dbraw/zinc/87/19/84/411871984.db2.gz DODMHUPBWXVWHE-LBPRGKRZSA-N 1 0 229.364 2.060 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000661767004 411877694 /nfs/dbraw/zinc/87/76/94/411877694.db2.gz HZXWKCOFQPZFMC-SWLSCSKDSA-N 1 0 247.313 2.022 20 30 BEEDRO CC#CCC[NH+]1CCC(c2ccon2)CC1 ZINC000662048458 411966119 /nfs/dbraw/zinc/96/61/19/411966119.db2.gz WOAMESQTKJNFAA-UHFFFAOYSA-N 1 0 218.300 2.267 20 30 BEEDRO C=CCCCCC[N@@H+]1CCC2(COC2)C1 ZINC000662072676 411973724 /nfs/dbraw/zinc/97/37/24/411973724.db2.gz NAPGWWXDQBNHQI-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCN(C(C)C)C1=O ZINC000662083620 411981200 /nfs/dbraw/zinc/98/12/00/411981200.db2.gz HZBIWUMWJQLJGJ-HZSPNIEDSA-N 1 0 248.370 2.179 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncn1C ZINC000662083346 411982381 /nfs/dbraw/zinc/98/23/81/411982381.db2.gz DOBMCOVLEUWQKH-TXEJJXNPSA-N 1 0 217.316 2.103 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@](C)(O)C(F)(F)F ZINC000662089779 411982821 /nfs/dbraw/zinc/98/28/21/411982821.db2.gz FTQQXTGAUNOFAF-AXFHLTTASA-N 1 0 249.276 2.483 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)ncn1 ZINC000662089487 411983221 /nfs/dbraw/zinc/98/32/21/411983221.db2.gz AJIKSPBVZZECSD-OKILXGFUSA-N 1 0 229.327 2.468 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(OC)n1 ZINC000662089723 411983783 /nfs/dbraw/zinc/98/37/83/411983783.db2.gz DENAFVPKFGGRAU-BETUJISGSA-N 1 0 245.326 2.168 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCCOC1 ZINC000662087970 411983915 /nfs/dbraw/zinc/98/39/15/411983915.db2.gz RMVSSWAECQMFBT-XQQFMLRXSA-N 1 0 207.317 2.348 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662114785 411987888 /nfs/dbraw/zinc/98/78/88/411987888.db2.gz UDAWBIBQNDKTFG-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1CC#CCOC ZINC000662161686 412013770 /nfs/dbraw/zinc/01/37/70/412013770.db2.gz WYUTVXOTMPWGRW-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@H]1CCC[C@@H](C)C1 ZINC000662167211 412016839 /nfs/dbraw/zinc/01/68/39/412016839.db2.gz VOHLKPJRDXWBQU-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCO[C@@H](CC)c1ccccc1 ZINC000662168870 412017629 /nfs/dbraw/zinc/01/76/29/412017629.db2.gz YFBLHUTVVLFOGZ-CABCVRRESA-N 1 0 249.354 2.291 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662041431 411958308 /nfs/dbraw/zinc/95/83/08/411958308.db2.gz AGBDGUFTNUEBMP-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000191440963 171011254 /nfs/dbraw/zinc/01/12/54/171011254.db2.gz CJDRFOPSGUHHOY-LLVKDONJSA-N 1 0 217.316 2.129 20 30 BEEDRO CC[C@H](C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000037110145 171304790 /nfs/dbraw/zinc/30/47/90/171304790.db2.gz PREBLLHXUVHXPM-NSHDSACASA-N 1 0 245.326 2.227 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNCc1cccc(C#N)c1 ZINC000217395613 171307126 /nfs/dbraw/zinc/30/71/26/171307126.db2.gz XSEWKMRYLIDRPC-ZDUSSCGKSA-N 1 0 245.370 2.378 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000267139620 171313962 /nfs/dbraw/zinc/31/39/62/171313962.db2.gz HVXKQEXGPOJWPE-LBPRGKRZSA-N 1 0 232.327 2.151 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189590453 171366012 /nfs/dbraw/zinc/36/60/12/171366012.db2.gz DUJZQPUHAUDONP-WDEREUQCSA-N 1 0 219.332 2.421 20 30 BEEDRO CC#CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311187 412094481 /nfs/dbraw/zinc/09/44/81/412094481.db2.gz YXGSTZWTVZSCGB-GASCZTMLSA-N 1 0 233.355 2.292 20 30 BEEDRO C=CCCCN(C)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662468508 412184594 /nfs/dbraw/zinc/18/45/94/412184594.db2.gz DOMXEFRQYVRWGE-UHFFFAOYSA-N 1 0 244.338 2.328 20 30 BEEDRO CC[N@H+](CC#CCOC)C1CC(C)(C)C1 ZINC000665249832 412195192 /nfs/dbraw/zinc/19/51/92/412195192.db2.gz AWIVNRMRQANHSC-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@H](C)[C@H](C)CC)CCC[NH2+]1 ZINC000662525444 412203882 /nfs/dbraw/zinc/20/38/82/412203882.db2.gz URHNZYCDOJOJMX-YRGRVCCFSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@@H](CC)[NH2+]C ZINC000662431201 412169055 /nfs/dbraw/zinc/16/90/55/412169055.db2.gz APNMVPJYISJDEU-CQSZACIVSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC1([NH3+])CCCC1 ZINC000662650432 412257881 /nfs/dbraw/zinc/25/78/81/412257881.db2.gz VNEDYMQQCCBVEL-UHFFFAOYSA-N 1 0 236.359 2.143 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cnccc2C)CCC[NH2+]1 ZINC000662688077 412271914 /nfs/dbraw/zinc/27/19/14/412271914.db2.gz MCXPOPJWNKXOFR-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665288403 412233705 /nfs/dbraw/zinc/23/37/05/412233705.db2.gz MBHJRRXBKVUSOS-QWHCGFSZSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCCC1(CNC(=O)CCC[NH3+])CCCC1 ZINC000662620085 412244580 /nfs/dbraw/zinc/24/45/80/412244580.db2.gz BORUSWNNQZVXRD-UHFFFAOYSA-N 1 0 238.375 2.368 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000662857800 412326364 /nfs/dbraw/zinc/32/63/64/412326364.db2.gz PVMILGUZVCTAMX-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132863535 412331743 /nfs/dbraw/zinc/33/17/43/412331743.db2.gz KSONQBUXLRIFCJ-VOAKCMCISA-N 1 0 221.344 2.498 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662925765 412347274 /nfs/dbraw/zinc/34/72/74/412347274.db2.gz LOHGRSNFWROCMT-VXGBXAGGSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000662954761 412353718 /nfs/dbraw/zinc/35/37/18/412353718.db2.gz ZDOWBGMOMMURID-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccccc2O)CCC[NH2+]1 ZINC000662767527 412295786 /nfs/dbraw/zinc/29/57/86/412295786.db2.gz VITVMQVFULTTJB-AWEZNQCLSA-N 1 0 246.310 2.029 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccccc2O)CCC[NH2+]1 ZINC000662767528 412296339 /nfs/dbraw/zinc/29/63/39/412296339.db2.gz VITVMQVFULTTJB-CQSZACIVSA-N 1 0 246.310 2.029 20 30 BEEDRO C[NH+](C)C(C)(C)CNc1cccc(F)c1C#N ZINC000072710122 172397243 /nfs/dbraw/zinc/39/72/43/172397243.db2.gz YMSVXPOXPNZPJH-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000267307190 172537240 /nfs/dbraw/zinc/53/72/40/172537240.db2.gz WGTJWIKKWQHTSS-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+]1CCC(CNc2ccc(F)cc2C#N)CC1 ZINC000111238356 172986502 /nfs/dbraw/zinc/98/65/02/172986502.db2.gz FWZDTTNRQDEZAY-UHFFFAOYSA-N 1 0 247.317 2.451 20 30 BEEDRO COC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000037250368 174030423 /nfs/dbraw/zinc/03/04/23/174030423.db2.gz ZBEBAPQJGCEXPB-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000044658987 174200208 /nfs/dbraw/zinc/20/02/08/174200208.db2.gz GDDLJWYHKGZJNS-UHFFFAOYSA-N 1 0 236.290 2.214 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)cc1F ZINC000059487499 174217668 /nfs/dbraw/zinc/21/76/68/174217668.db2.gz ASMSLEOWHNIUTJ-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO COCC[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000361702216 174298575 /nfs/dbraw/zinc/29/85/75/174298575.db2.gz LNDXKDRIRRMARF-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO COCC[N@H+](Cc1ccc(C#N)cc1)C(C)C ZINC000063750722 174299857 /nfs/dbraw/zinc/29/98/57/174299857.db2.gz KWQGUZSQSHZKHL-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234682244 174383968 /nfs/dbraw/zinc/38/39/68/174383968.db2.gz WFRALNHWHIITRZ-LLVKDONJSA-N 1 0 248.326 2.081 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000289696065 174713070 /nfs/dbraw/zinc/71/30/70/174713070.db2.gz DKXHMESGYLJKAJ-BDAKNGLRSA-N 1 0 224.329 2.133 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000135509301 174713154 /nfs/dbraw/zinc/71/31/54/174713154.db2.gz FVPGHNOQHPDLKC-MNOVXSKESA-N 1 0 218.300 2.071 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000341271723 174749016 /nfs/dbraw/zinc/74/90/16/174749016.db2.gz VVBLBAXYQNMSIK-HUUCEWRRSA-N 1 0 244.338 2.463 20 30 BEEDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1C#N ZINC000189123956 175109369 /nfs/dbraw/zinc/10/93/69/175109369.db2.gz SHHUVLDBSSHLMZ-QWRGUYRKSA-N 1 0 248.326 2.080 20 30 BEEDRO COc1cccc(C[NH2+]CCCCC#N)c1 ZINC000042223673 175264424 /nfs/dbraw/zinc/26/44/24/175264424.db2.gz CQCWODLSUXMYJH-UHFFFAOYSA-N 1 0 218.300 2.479 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001652362002 1173067995 /nfs/dbraw/zinc/06/79/95/1173067995.db2.gz ULQJBHOCOUELSH-GHMZBOCLSA-N 1 0 213.321 2.082 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(CO)CC1 ZINC000187494951 176016643 /nfs/dbraw/zinc/01/66/43/176016643.db2.gz AZFGRTRMKSVSGG-LBPRGKRZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1cc(C#N)ccn1 ZINC000286261919 176071291 /nfs/dbraw/zinc/07/12/91/176071291.db2.gz VXNDPZBKAOUJJL-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070175445 176099635 /nfs/dbraw/zinc/09/96/35/176099635.db2.gz WXOJJJZGDYXRQW-IUODEOHRSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2cccc(C#N)c2)[C@@H]1CO ZINC000125179146 176101396 /nfs/dbraw/zinc/10/13/96/176101396.db2.gz ZLHQTNFCCSHLGV-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccccc1C#N ZINC000269707313 176120079 /nfs/dbraw/zinc/12/00/79/176120079.db2.gz OGWVJLVQWOENDY-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000041066917 176170476 /nfs/dbraw/zinc/17/04/76/176170476.db2.gz MXAHXVAVGVESLV-GFCCVEGCSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ncc(C#N)cn2)C[C@@H](C)C1 ZINC000332198981 176177866 /nfs/dbraw/zinc/17/78/66/176177866.db2.gz BMUZPBIVKYBXLS-NEPJUHHUSA-N 1 0 244.342 2.216 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC000128294318 176227136 /nfs/dbraw/zinc/22/71/36/176227136.db2.gz XKHBJXKHVLJDFG-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190864639 176314418 /nfs/dbraw/zinc/31/44/18/176314418.db2.gz UNTRPZGYDKLXMH-XUJVJEKNSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000278077856 176344576 /nfs/dbraw/zinc/34/45/76/176344576.db2.gz ZRRLOHAHFSHHJQ-BXUZGUMPSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000336465312 176363389 /nfs/dbraw/zinc/36/33/89/176363389.db2.gz JAJWKEMQTVRSRQ-GHMZBOCLSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1cc(Cl)ccc1C#N ZINC000216211836 176369297 /nfs/dbraw/zinc/36/92/97/176369297.db2.gz QYQURWJOORQIBZ-ZJUUUORDSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(C#N)cc1 ZINC000123453664 176681264 /nfs/dbraw/zinc/68/12/64/176681264.db2.gz GGGTWSQHLWJDCV-NWDGAFQWSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@H](CNc1ccc(C#N)nc1)C[NH+]1CCCC1 ZINC000129232620 176686190 /nfs/dbraw/zinc/68/61/90/176686190.db2.gz QIXXYWOQOZMLJP-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000305823475 176909494 /nfs/dbraw/zinc/90/94/94/176909494.db2.gz PZNPRMLIANCNFD-ZJUUUORDSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000264476723 177015295 /nfs/dbraw/zinc/01/52/95/177015295.db2.gz YVUGCXZYOGGKSR-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CC(C)(C)O ZINC000267152052 177032185 /nfs/dbraw/zinc/03/21/85/177032185.db2.gz MUTODYJMBMVXAX-LLVKDONJSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286609307 177032499 /nfs/dbraw/zinc/03/24/99/177032499.db2.gz RMYMVUZQABKCNI-KCPJHIHWSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352668359 177032721 /nfs/dbraw/zinc/03/27/21/177032721.db2.gz RMYMVUZQABKCNI-BYCMXARLSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000265516711 177033382 /nfs/dbraw/zinc/03/33/82/177033382.db2.gz NGGPIHAPIJIYJA-RISCZKNCSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000189344798 177035554 /nfs/dbraw/zinc/03/55/54/177035554.db2.gz JCEILTRFZNLRPK-RISCZKNCSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@H]1CC[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000336527832 177156678 /nfs/dbraw/zinc/15/66/78/177156678.db2.gz OTEMLEPRRIWCIL-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000191810285 177179990 /nfs/dbraw/zinc/17/99/90/177179990.db2.gz SSCJXVGWJQYJBH-JTQLQIEISA-N 1 0 236.340 2.479 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cccc(C#N)c2)O1 ZINC000128295868 177190770 /nfs/dbraw/zinc/19/07/70/177190770.db2.gz KUKRXMCVAPOYKY-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(C#N)cc1 ZINC000334458196 177262763 /nfs/dbraw/zinc/26/27/63/177262763.db2.gz QSHOIDQFBIGWSY-STQMWFEESA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000277628936 177294602 /nfs/dbraw/zinc/29/46/02/177294602.db2.gz YUJTXAAWHRKIGO-ZFWWWQNUSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000277928282 177295286 /nfs/dbraw/zinc/29/52/86/177295286.db2.gz QIJJRVYACUIGHA-CABZTGNLSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H]1COC[C@H](C)N1Cc1ccc(C#N)s1 ZINC000130004271 177300060 /nfs/dbraw/zinc/30/00/60/177300060.db2.gz JHEJNGACCYVBKX-UWVGGRQHSA-N 1 0 236.340 2.229 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000335621565 177305743 /nfs/dbraw/zinc/30/57/43/177305743.db2.gz NKIRHMUWLIKVEI-KWQFWETISA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000135469361 177381934 /nfs/dbraw/zinc/38/19/34/177381934.db2.gz QRTVSHJMGFDFRS-GWCFXTLKSA-N 1 0 200.285 2.304 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]CCc1cccc(C#N)c1 ZINC000309805523 177382043 /nfs/dbraw/zinc/38/20/43/177382043.db2.gz SBPQTAGVAGSKMC-FZMZJTMJSA-N 1 0 214.312 2.346 20 30 BEEDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1cccc(F)c1C#N ZINC000229606709 177395282 /nfs/dbraw/zinc/39/52/82/177395282.db2.gz BWYDVBBXKIABGB-SKDRFNHKSA-N 1 0 233.290 2.250 20 30 BEEDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000330477383 177464720 /nfs/dbraw/zinc/46/47/20/177464720.db2.gz MEQRNCMLBPCOFB-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC000162809364 487641275 /nfs/dbraw/zinc/64/12/75/487641275.db2.gz AWHYXKHPDAUEOB-NSHDSACASA-N 1 0 244.338 2.027 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001652481366 1173090287 /nfs/dbraw/zinc/09/02/87/1173090287.db2.gz PCHZCYKDWMWUDW-WDEREUQCSA-N 1 0 227.348 2.328 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@H]1CCC[C@@H]1C ZINC000487984325 225336203 /nfs/dbraw/zinc/33/62/03/225336203.db2.gz BAFFNQLQFVDNAC-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000488158356 225350840 /nfs/dbraw/zinc/35/08/40/225350840.db2.gz FKZFNPVCNJMWSG-HNNXBMFYSA-N 1 0 244.338 2.381 20 30 BEEDRO C[C@]1(CO)CCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000492914181 226082258 /nfs/dbraw/zinc/08/22/58/226082258.db2.gz TWVQVYWULRHRQV-HZPDHXFCSA-N 1 0 243.350 2.179 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCSC1)C1CC1 ZINC000494945630 226271973 /nfs/dbraw/zinc/27/19/73/226271973.db2.gz GPTHUMYGQNHUDE-MNOVXSKESA-N 1 0 224.373 2.364 20 30 BEEDRO CC#CCC[N@@H+]1CC(C)(C)OCC1(C)C ZINC000680884262 487664512 /nfs/dbraw/zinc/66/45/12/487664512.db2.gz SGYXBKKNGOFRJJ-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO COCC#CC[N@H+](CC1CCC1)C(C)C ZINC000683527891 487669900 /nfs/dbraw/zinc/66/99/00/487669900.db2.gz PJQRVMXCVCIMKS-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000678049370 487671013 /nfs/dbraw/zinc/67/10/13/487671013.db2.gz JCWBDZFJERHOHS-AGIUHOORSA-N 1 0 211.349 2.291 20 30 BEEDRO C[C@@H]1CN(CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000307742608 229222393 /nfs/dbraw/zinc/22/23/93/229222393.db2.gz VOUHNHYLCIXWEW-CQSZACIVSA-N 1 0 243.354 2.106 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000308886130 229255656 /nfs/dbraw/zinc/25/56/56/229255656.db2.gz SYULZOPJWOQEDJ-IXOXFDKPSA-N 1 0 204.317 2.314 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCC1 ZINC000404056459 229362130 /nfs/dbraw/zinc/36/21/30/229362130.db2.gz GSCHFMJZFLNJTR-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1F ZINC000404092344 229367954 /nfs/dbraw/zinc/36/79/54/229367954.db2.gz ALXCHHVSKUOZCX-NSHDSACASA-N 1 0 248.301 2.214 20 30 BEEDRO C[C@@H](CC[NH+](C)C)NCc1ccc(C#N)c(F)c1 ZINC000404103259 229372260 /nfs/dbraw/zinc/37/22/60/229372260.db2.gz GLYTZKSIKKJIBU-NSHDSACASA-N 1 0 249.333 2.127 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000404154248 229377083 /nfs/dbraw/zinc/37/70/83/229377083.db2.gz UTVRCWHGTXFKLK-UHFFFAOYSA-N 1 0 243.285 2.481 20 30 BEEDRO C[C@@H](CCCC#N)n1ccc2c1CC[NH2+]C2 ZINC001172510166 974865369 /nfs/dbraw/zinc/86/53/69/974865369.db2.gz WLLNPQGPCYQNOD-NSHDSACASA-N 1 0 217.316 2.389 20 30 BEEDRO C=CCSCCN[C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000395090423 262764167 /nfs/dbraw/zinc/76/41/67/262764167.db2.gz UKRYXMVGAVRFLH-NWDGAFQWSA-N 1 0 228.405 2.026 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000395302376 262785677 /nfs/dbraw/zinc/78/56/77/262785677.db2.gz VLYXUTITOBHWMJ-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CCC)C1CCC1 ZINC000324969698 262799117 /nfs/dbraw/zinc/79/91/17/262799117.db2.gz NHVBVPHWUVBOCD-DGCLKSJQSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000527739922 262881458 /nfs/dbraw/zinc/88/14/58/262881458.db2.gz QFQALOOSJPJZAF-ZDUSSCGKSA-N 1 0 244.338 2.465 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527912876 262889088 /nfs/dbraw/zinc/88/90/88/262889088.db2.gz WFPJEWVBBCWANE-VOAKCMCISA-N 1 0 221.344 2.356 20 30 BEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1F ZINC000399234720 267027231 /nfs/dbraw/zinc/02/72/31/267027231.db2.gz HAHSMIKQMDUFFT-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000527783614 267155353 /nfs/dbraw/zinc/15/53/53/267155353.db2.gz NCDOYWLDKSZKIG-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC=C)C1 ZINC001331956121 974887469 /nfs/dbraw/zinc/88/74/69/974887469.db2.gz ARSKHDAUJFVBQB-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[N@@H+](C[C@H](OC)C1CCC1)C1CC1 ZINC000660168889 487725873 /nfs/dbraw/zinc/72/58/73/487725873.db2.gz BYZMULXGUWSFDL-ZDUSSCGKSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCOc2ccccc2C1 ZINC000675489665 487740327 /nfs/dbraw/zinc/74/03/27/487740327.db2.gz GDBNVNGFUSJOTL-AWEZNQCLSA-N 1 0 247.338 2.208 20 30 BEEDRO C#CCN(CC#CC)CCc1cccs1 ZINC000743852383 585140725 /nfs/dbraw/zinc/14/07/25/585140725.db2.gz OVGPXSWDJRGSQP-UHFFFAOYSA-N 1 0 217.337 2.249 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000679219825 487783801 /nfs/dbraw/zinc/78/38/01/487783801.db2.gz JJSHHVRTSSVCKA-MJBXVCDLSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)C)C[C@H]1CC ZINC000681450866 487797511 /nfs/dbraw/zinc/79/75/11/487797511.db2.gz IFUQMVRIOCUCEB-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C[NH2+]C[C@@H](O)CSC)c1ccccc1 ZINC000591767191 487798119 /nfs/dbraw/zinc/79/81/19/487798119.db2.gz VUWMXYBKRVZCPP-CYBMUJFWSA-N 1 0 237.368 2.013 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2nncn2CC)C1 ZINC000651664645 487813530 /nfs/dbraw/zinc/81/35/30/487813530.db2.gz XGALKULYCZXYMK-CHWSQXEVSA-N 1 0 248.374 2.175 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCn2cnnc2CC)C1 ZINC000651724319 487822339 /nfs/dbraw/zinc/82/23/39/487822339.db2.gz RFGRCHICQGQAAG-CHWSQXEVSA-N 1 0 248.374 2.175 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681605427 487822576 /nfs/dbraw/zinc/82/25/76/487822576.db2.gz ZXFIUKZYJPSGIL-QWHCGFSZSA-N 1 0 234.347 2.270 20 30 BEEDRO C=CC[C@H](CC)[NH2+]CCC(=O)Nc1cccnc1 ZINC000564864837 322944205 /nfs/dbraw/zinc/94/42/05/322944205.db2.gz UCBHQVJEVYCQNM-LBPRGKRZSA-N 1 0 247.342 2.355 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)O)C1 ZINC000651766828 487825942 /nfs/dbraw/zinc/82/59/42/487825942.db2.gz VSEWPVRVJXHOHJ-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625652782 487835791 /nfs/dbraw/zinc/83/57/91/487835791.db2.gz GHZRBGBPUUGDEP-MXWKQRLJSA-N 1 0 233.302 2.147 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](OC)[C@@H](C)CC)C(C)C ZINC000877512943 590343375 /nfs/dbraw/zinc/34/33/75/590343375.db2.gz GPLXQYBGFIJDMW-RWMBFGLXSA-N 1 0 211.349 2.295 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](COC)C1 ZINC000677048239 487847972 /nfs/dbraw/zinc/84/79/72/487847972.db2.gz RJZIJCPCMWZXOE-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000308538325 631421966 /nfs/dbraw/zinc/42/19/66/631421966.db2.gz TYHNBNXGGDADCT-NSHDSACASA-N 1 0 216.756 2.201 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC=C)[C@H]1CCCO1 ZINC000308925542 631745369 /nfs/dbraw/zinc/74/53/69/631745369.db2.gz DECIMBZHIZVMLE-RWMBFGLXSA-N 1 0 207.317 2.112 20 30 BEEDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000174554915 487861195 /nfs/dbraw/zinc/86/11/95/487861195.db2.gz QBODDBRMGGLDNS-SNVBAGLBSA-N 1 0 236.315 2.444 20 30 BEEDRO C=C[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000157008937 487888822 /nfs/dbraw/zinc/88/88/22/487888822.db2.gz PMQMHGVDJHFOQT-AAEUAGOBSA-N 1 0 232.327 2.157 20 30 BEEDRO CC[N@H+](CC#CCOC)Cc1ccccc1 ZINC000677132677 487888655 /nfs/dbraw/zinc/88/86/55/487888655.db2.gz MKXPKYUDWMWLQP-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO COCC#CC[N@H+](CCC(C)C)C1CC1 ZINC000677133241 487892641 /nfs/dbraw/zinc/89/26/41/487892641.db2.gz OGAFXUAFVAOLJL-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cn2ccccc2n1 ZINC000671120239 487915912 /nfs/dbraw/zinc/91/59/12/487915912.db2.gz IQVARRYKARNJEG-LBPRGKRZSA-N 1 0 245.326 2.188 20 30 BEEDRO C=CCC1([NH2+][C@H](CC)COC)CCOCC1 ZINC000668551267 487920953 /nfs/dbraw/zinc/92/09/53/487920953.db2.gz JBDRIVMSDXGRBK-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(CO)cc1 ZINC000227473971 487930924 /nfs/dbraw/zinc/93/09/24/487930924.db2.gz ZSJNUPQEMMTUNQ-UHFFFAOYSA-N 1 0 205.301 2.235 20 30 BEEDRO Cc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000309620440 322964093 /nfs/dbraw/zinc/96/40/93/322964093.db2.gz DCQHYCPUWCIBQC-RYUDHWBXSA-N 1 0 215.300 2.172 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cncnc1C ZINC000566688842 323010822 /nfs/dbraw/zinc/01/08/22/323010822.db2.gz JSMDRWFVTOXUQL-JTQLQIEISA-N 1 0 205.305 2.402 20 30 BEEDRO Cc1nc(CC[NH2+][C@H]2CC[C@H](C#N)C2)c(C)o1 ZINC000562462736 323020763 /nfs/dbraw/zinc/02/07/63/323020763.db2.gz SANLHRRSSPLLOX-RYUDHWBXSA-N 1 0 233.315 2.116 20 30 BEEDRO Cc1nc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)c(C)o1 ZINC000562462726 323020821 /nfs/dbraw/zinc/02/08/21/323020821.db2.gz SANLHRRSSPLLOX-NEPJUHHUSA-N 1 0 233.315 2.116 20 30 BEEDRO C=CCCCC[N@@H+]1CCCO[C@H](CF)C1 ZINC000562706194 323028391 /nfs/dbraw/zinc/02/83/91/323028391.db2.gz FYPGQYZAZGINRF-GFCCVEGCSA-N 1 0 215.312 2.403 20 30 BEEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000562726694 323029229 /nfs/dbraw/zinc/02/92/29/323029229.db2.gz GXDYRTICWQMKQM-MGPQQGTHSA-N 1 0 249.358 2.367 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ncccn1)C1CC1 ZINC000569743551 323039544 /nfs/dbraw/zinc/03/95/44/323039544.db2.gz BBILSOBCHYJMHV-GFCCVEGCSA-N 1 0 217.316 2.311 20 30 BEEDRO N#CCC[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000567681899 323056297 /nfs/dbraw/zinc/05/62/97/323056297.db2.gz AIZWGRBXAQCFIS-UHFFFAOYSA-N 1 0 231.274 2.353 20 30 BEEDRO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)C[C@@H](C)O ZINC000160069561 323059354 /nfs/dbraw/zinc/05/93/54/323059354.db2.gz LZYFJKKKVVUOII-CYBMUJFWSA-N 1 0 249.329 2.268 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)COC)cc1 ZINC000289260602 323063534 /nfs/dbraw/zinc/06/35/34/323063534.db2.gz MPSQRIFZSSTSTC-GFCCVEGCSA-N 1 0 217.312 2.040 20 30 BEEDRO CCN(CC[NH2+]CC(C)(C)CCC#N)C1CC1 ZINC000174335202 323075119 /nfs/dbraw/zinc/07/51/19/323075119.db2.gz WZBFWDXIQMFSLL-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO CC(C)(C#N)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161196721 323075849 /nfs/dbraw/zinc/07/58/49/323075849.db2.gz KMNMVKIVCRLNHN-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCC[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000309542720 323082314 /nfs/dbraw/zinc/08/23/14/323082314.db2.gz GFUJHCSNTCZBEH-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000313495674 323091883 /nfs/dbraw/zinc/09/18/83/323091883.db2.gz YAAPXKXRCZPQJH-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000563126026 323094180 /nfs/dbraw/zinc/09/41/80/323094180.db2.gz QQQLUUVMMLWNOG-VXGBXAGGSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCCN(C)CC1 ZINC000563203148 323101615 /nfs/dbraw/zinc/10/16/15/323101615.db2.gz BHSMWYCDCPVQAD-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccsc1C ZINC000320263262 323104472 /nfs/dbraw/zinc/10/44/72/323104472.db2.gz KAQGMTGZXKJKFQ-LBPRGKRZSA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC1(C(=O)N(C)CCC[NH+](C)C)CCC1 ZINC000564794484 323105794 /nfs/dbraw/zinc/10/57/94/323105794.db2.gz GJQDLEHTYVMILM-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2cccnc2C#N)C1 ZINC000571154358 323136788 /nfs/dbraw/zinc/13/67/88/323136788.db2.gz KNDAWMYRHVWLDF-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO CCn1cc(C[N@H+](C)[C@@H](C)CCC#N)cn1 ZINC000571172960 323137511 /nfs/dbraw/zinc/13/75/11/323137511.db2.gz RKQLIDBDFABCOA-NSHDSACASA-N 1 0 220.320 2.027 20 30 BEEDRO Cc1ccc([C@H](CNCCC#N)[NH+](C)C)cc1 ZINC000571276959 323139787 /nfs/dbraw/zinc/13/97/87/323139787.db2.gz DCSLGRACQGUHAN-AWEZNQCLSA-N 1 0 231.343 2.101 20 30 BEEDRO C=CCCCC[N@@H+](C)CC(=O)NC(C)(C)C ZINC000571510919 323146329 /nfs/dbraw/zinc/14/63/29/323146329.db2.gz GXLMPIUBYDZJHT-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)C1CCOCC1 ZINC000535073894 323165440 /nfs/dbraw/zinc/16/54/40/323165440.db2.gz FEFPXQJUYXHBFX-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399123710 323197418 /nfs/dbraw/zinc/19/74/18/323197418.db2.gz IXMICQRLLCNDFN-SWLSCSKDSA-N 1 0 244.338 2.267 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192534079 323223309 /nfs/dbraw/zinc/22/33/09/323223309.db2.gz WOTYICONMVJGHL-LLVKDONJSA-N 1 0 235.331 2.450 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000352420195 323233272 /nfs/dbraw/zinc/23/32/72/323233272.db2.gz ABRSHGWIQCLMKY-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000563975540 323337230 /nfs/dbraw/zinc/33/72/30/323337230.db2.gz IJHNHNYXUXZUJW-CHWSQXEVSA-N 1 0 240.391 2.468 20 30 BEEDRO CCC#C[C@@H](C)N1CCN(c2nccs2)CC1 ZINC000677047050 487958068 /nfs/dbraw/zinc/95/80/68/487958068.db2.gz PWOKKQYOIILFLT-GFCCVEGCSA-N 1 0 249.383 2.067 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000572008826 323522733 /nfs/dbraw/zinc/52/27/33/323522733.db2.gz KNBZZMMSEMQMKX-GXFFZTMASA-N 1 0 236.315 2.038 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](OCC)C1 ZINC000677048141 487959244 /nfs/dbraw/zinc/95/92/44/487959244.db2.gz NVFJFUUCNJSHAW-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000527925542 323731742 /nfs/dbraw/zinc/73/17/42/323731742.db2.gz MLPHJCNWLLQZPM-LLVKDONJSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCN(C)Cc1noc(-c2ccccc2)n1 ZINC000121187356 324004120 /nfs/dbraw/zinc/00/41/20/324004120.db2.gz OELIWNVABHSISN-UHFFFAOYSA-N 1 0 229.283 2.354 20 30 BEEDRO COc1cccc(C[NH+]2CCC(C#N)CC2)c1 ZINC000061040406 324055522 /nfs/dbraw/zinc/05/55/22/324055522.db2.gz YUVZTLCYLWCDMT-UHFFFAOYSA-N 1 0 230.311 2.431 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)C#N)C1CC(F)(F)C1 ZINC000529541333 324318013 /nfs/dbraw/zinc/31/80/13/324318013.db2.gz KOCHGRIJEACVOT-HTQZYQBOSA-N 1 0 202.248 2.169 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H]1CC ZINC000328268640 324367957 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ZINC000252678246 325690124 /nfs/dbraw/zinc/69/01/24/325690124.db2.gz GOXCZQPDEMWNJR-TUKIKUTGSA-N 1 0 244.338 2.370 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc3nccn32)CC1 ZINC000564699594 325803652 /nfs/dbraw/zinc/80/36/52/325803652.db2.gz HZOWAIIWQXYLEU-UHFFFAOYSA-N 1 0 240.310 2.118 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1CCC ZINC000566406837 326040539 /nfs/dbraw/zinc/04/05/39/326040539.db2.gz MZUFNSRRZHDMJS-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000566429381 326045586 /nfs/dbraw/zinc/04/55/86/326045586.db2.gz ULPGNHDPWMHOSI-KWCYVHTRSA-N 1 0 227.311 2.231 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)nc1 ZINC000566429382 326045774 /nfs/dbraw/zinc/04/57/74/326045774.db2.gz ULPGNHDPWMHOSI-XBFCOCLRSA-N 1 0 227.311 2.231 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000566603069 326067277 /nfs/dbraw/zinc/06/72/77/326067277.db2.gz CTVXDXVTPKVZGQ-MRTXSQPYSA-N 1 0 221.344 2.498 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000155074849 326183390 /nfs/dbraw/zinc/18/33/90/326183390.db2.gz XWIGMIBHBSKEGX-UHFFFAOYSA-N 1 0 245.322 2.303 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000567468277 326198537 /nfs/dbraw/zinc/19/85/37/326198537.db2.gz GZUHUCGASKQHQK-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000156145434 326220405 /nfs/dbraw/zinc/22/04/05/326220405.db2.gz LXKQMQQTBLUJOW-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000567693291 326246347 /nfs/dbraw/zinc/24/63/47/326246347.db2.gz NQDBRINEGVCLPR-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000567693290 326246357 /nfs/dbraw/zinc/24/63/57/326246357.db2.gz NQDBRINEGVCLPR-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000157191351 326260534 /nfs/dbraw/zinc/26/05/34/326260534.db2.gz YPPRLHSOZSBOJP-GFCCVEGCSA-N 1 0 225.295 2.156 20 30 BEEDRO C=C[C@H](CC(=O)NC[C@H]([NH3+])CC)c1ccccc1 ZINC000567982334 326290879 /nfs/dbraw/zinc/29/08/79/326290879.db2.gz VWPIRYFGDAVXOF-TZMCWYRMSA-N 1 0 246.354 2.200 20 30 BEEDRO C=CC[NH+](CC=C)CCCc1cncn1C ZINC000568169703 326319308 /nfs/dbraw/zinc/31/93/08/326319308.db2.gz REZZCIMHNKDHDN-UHFFFAOYSA-N 1 0 219.332 2.027 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cncnc1 ZINC000568237797 326332283 /nfs/dbraw/zinc/33/22/83/326332283.db2.gz GOSRIDNUENDCJG-UHFFFAOYSA-N 1 0 205.305 2.313 20 30 BEEDRO Cc1nc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)[nH]c1C ZINC000568272970 326339162 /nfs/dbraw/zinc/33/91/62/326339162.db2.gz FMQKJVNUYOGHBF-RYUDHWBXSA-N 1 0 232.331 2.199 20 30 BEEDRO N#CCCOCC[N@H+](C1CC1)C1CCCC1 ZINC000568656861 326371444 /nfs/dbraw/zinc/37/14/44/326371444.db2.gz ASHIYGPYCWMKRU-UHFFFAOYSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568764530 326375496 /nfs/dbraw/zinc/37/54/96/326375496.db2.gz YOALLPSMOGDZRY-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000568776477 326377079 /nfs/dbraw/zinc/37/70/79/326377079.db2.gz KFBHUGYCEMHELK-XQQFMLRXSA-N 1 0 238.375 2.175 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000568920809 326382463 /nfs/dbraw/zinc/38/24/63/326382463.db2.gz VXBWYWZAWCRYMD-QLFBSQMISA-N 1 0 242.322 2.313 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CCCO1 ZINC000568947421 326383026 /nfs/dbraw/zinc/38/30/26/326383026.db2.gz VWNFTWDOIKUFIS-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC1(C[NH2+][C@@H](C)[C@H](C)O)CCCC1 ZINC000569096345 326389447 /nfs/dbraw/zinc/38/94/47/326389447.db2.gz ZPVUPFHJSRKCKV-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000677133497 487980432 /nfs/dbraw/zinc/98/04/32/487980432.db2.gz ZFAMPIHSOXYSMJ-HNNXBMFYSA-N 1 0 229.323 2.126 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000309584120 487990599 /nfs/dbraw/zinc/99/05/99/487990599.db2.gz RMKRGAKCUDRUBX-LLVKDONJSA-N 1 0 227.254 2.261 20 30 BEEDRO Cn1cc(C[NH2+]CC2(C3CC3)CC2)cc1C#N ZINC000191469869 487991315 /nfs/dbraw/zinc/99/13/15/487991315.db2.gz RPYWSCGHVFITIM-UHFFFAOYSA-N 1 0 229.327 2.177 20 30 BEEDRO CC(C)C[C@@H](CN(C)C)[NH2+]C[C@H](C)CCC#N ZINC000602542084 487995266 /nfs/dbraw/zinc/99/52/66/487995266.db2.gz SMKCTPXRXJTBKC-KGLIPLIRSA-N 1 0 239.407 2.492 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000682369026 488015962 /nfs/dbraw/zinc/01/59/62/488015962.db2.gz OBSDCIHBODQYBQ-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc(C)n1C ZINC000667473565 488019998 /nfs/dbraw/zinc/01/99/98/488019998.db2.gz NKJZYUDJSLLEMI-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C#CC[N@@H+](Cc1cncn1C)C1CCCCC1 ZINC000490852996 488025805 /nfs/dbraw/zinc/02/58/05/488025805.db2.gz PBHWIUSBKFDANX-UHFFFAOYSA-N 1 0 231.343 2.188 20 30 BEEDRO C=CC[N@@H+](CCc1cncn1C)C(C)(C)C ZINC000661759489 488037055 /nfs/dbraw/zinc/03/70/55/488037055.db2.gz HTBWINOGSDJSGI-UHFFFAOYSA-N 1 0 221.348 2.249 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(C)cc1 ZINC000677476935 488045054 /nfs/dbraw/zinc/04/50/54/488045054.db2.gz KLMYDSVRFSKGIV-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO C=CCC1([NH2+]Cc2ncccn2)CCCC1 ZINC000661850670 488062809 /nfs/dbraw/zinc/06/28/09/488062809.db2.gz MMPHQECVSBHOKD-UHFFFAOYSA-N 1 0 217.316 2.455 20 30 BEEDRO C=C(C[NH2+]C[C@H](O)C(F)(F)F)c1ccccc1 ZINC000236519077 488067926 /nfs/dbraw/zinc/06/79/26/488067926.db2.gz MAFAFTKQUPIXTB-NSHDSACASA-N 1 0 245.244 2.213 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(CCC)C1 ZINC000389339384 488090776 /nfs/dbraw/zinc/09/07/76/488090776.db2.gz IXEQSCCLCNFZJV-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000378805348 488106341 /nfs/dbraw/zinc/10/63/41/488106341.db2.gz WPWVMKKYMDSLCO-JHJVBQTASA-N 1 0 209.333 2.336 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000677479513 488106706 /nfs/dbraw/zinc/10/67/06/488106706.db2.gz NWFCIMBXFXZTOU-CABCVRRESA-N 1 0 236.403 2.452 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000683101492 488107413 /nfs/dbraw/zinc/10/74/13/488107413.db2.gz DRRDUJLOJFOSAP-RYUDHWBXSA-N 1 0 211.374 2.473 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000683101491 488107480 /nfs/dbraw/zinc/10/74/80/488107480.db2.gz DRRDUJLOJFOSAP-NWDGAFQWSA-N 1 0 211.374 2.473 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680111202 487536906 /nfs/dbraw/zinc/53/69/06/487536906.db2.gz DDYNCYKOPHTKJK-NEPJUHHUSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CC1CCC1 ZINC000321098339 488127672 /nfs/dbraw/zinc/12/76/72/488127672.db2.gz LUHCETVSJCALAF-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC1CCC1 ZINC000321098340 488127752 /nfs/dbraw/zinc/12/77/52/488127752.db2.gz LUHCETVSJCALAF-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccnc(C#N)c1)c1cccnc1 ZINC000068752438 488128803 /nfs/dbraw/zinc/12/88/03/488128803.db2.gz MPZJOICWSHVXPH-LLVKDONJSA-N 1 0 238.294 2.199 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2([C@@H](C)O)CC2)C1 ZINC000668699569 488131130 /nfs/dbraw/zinc/13/11/30/488131130.db2.gz FSUVIWBYKWCMKI-UTUOFQBUSA-N 1 0 209.333 2.234 20 30 BEEDRO COCC#CCN(C)Cc1ccc(F)cc1F ZINC000677817554 488131241 /nfs/dbraw/zinc/13/12/41/488131241.db2.gz QCQYUIJWTYWREA-UHFFFAOYSA-N 1 0 239.265 2.046 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NCCC)C1 ZINC000661378482 487556166 /nfs/dbraw/zinc/55/61/66/487556166.db2.gz HIUJIBLTOUTVOD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn(C)nc1CC ZINC000167870639 487473745 /nfs/dbraw/zinc/47/37/45/487473745.db2.gz XBIALQWEBNYIFD-UHFFFAOYSA-N 1 0 207.321 2.038 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657972061 487495271 /nfs/dbraw/zinc/49/52/71/487495271.db2.gz OFURPSFBYHUDAJ-SECBINFHSA-N 1 0 221.291 2.458 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000677817202 487506666 /nfs/dbraw/zinc/50/66/66/487506666.db2.gz ISQIEJAQOHCUTL-CQSZACIVSA-N 1 0 247.313 2.265 20 30 BEEDRO 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ZINC000380069306 488171774 /nfs/dbraw/zinc/17/17/74/488171774.db2.gz CUJGKMJMCBDTIS-QWHCGFSZSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCc2ccccc2C1 ZINC000678049054 488185377 /nfs/dbraw/zinc/18/53/77/488185377.db2.gz BRMISQNVDXWHMR-OAHLLOKOSA-N 1 0 231.339 2.372 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000683705447 488210634 /nfs/dbraw/zinc/21/06/34/488210634.db2.gz SWWRHGMQWREOGS-UHFFFAOYSA-N 1 0 235.327 2.296 20 30 BEEDRO C=CC[N@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000678537225 488264266 /nfs/dbraw/zinc/26/42/66/488264266.db2.gz RUOBOVRIDHDNKM-CYBMUJFWSA-N 1 0 245.322 2.477 20 30 BEEDRO C=C(CC)C[N@H+](CCO)CCc1ccccc1 ZINC000678624449 488272436 /nfs/dbraw/zinc/27/24/36/488272436.db2.gz BZELTGGNMWAYFF-UHFFFAOYSA-N 1 0 233.355 2.490 20 30 BEEDRO COCC#CC[N@@H+]1CCc2ccccc2C1(C)C ZINC000678641560 488275336 /nfs/dbraw/zinc/27/53/36/488275336.db2.gz SGDRMDTWOIMRQX-UHFFFAOYSA-N 1 0 243.350 2.430 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000684207676 488276656 /nfs/dbraw/zinc/27/66/56/488276656.db2.gz BLDWWYBLVNSHEB-SCRDCRAPSA-N 1 0 221.344 2.288 20 30 BEEDRO CCC#C[C@H](C)N(C)Cc1nccs1 ZINC000678714648 488276774 /nfs/dbraw/zinc/27/67/74/488276774.db2.gz HNSJHWUKGQZIKH-JTQLQIEISA-N 1 0 208.330 2.377 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000678714882 488276889 /nfs/dbraw/zinc/27/68/89/488276889.db2.gz WGOJYONSMITTIW-GFCCVEGCSA-N 1 0 219.332 2.044 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(F)(F)CC1 ZINC000684626700 488335473 /nfs/dbraw/zinc/33/54/73/488335473.db2.gz ZZRQWLMZFPPQIA-JTQLQIEISA-N 1 0 219.275 2.045 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000679175146 488314873 /nfs/dbraw/zinc/31/48/73/488314873.db2.gz PMRITEDBGCSETO-WCQYABFASA-N 1 0 246.358 2.094 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000679423620 488351909 /nfs/dbraw/zinc/35/19/09/488351909.db2.gz YOFCEZLESSMABD-ZDUSSCGKSA-N 1 0 216.328 2.358 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(CO)CC1)C1CC1 ZINC000121510051 490096386 /nfs/dbraw/zinc/09/63/86/490096386.db2.gz CTDGLJCGXWMGFF-LBPRGKRZSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CC[N@H+](Cc1cccs1)C[C@H](C)CO ZINC000120497477 490062834 /nfs/dbraw/zinc/06/28/34/490062834.db2.gz KQOBZFNJINSRLQ-NSHDSACASA-N 1 0 225.357 2.365 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H](CC)[NH2+]C)c1 ZINC000662406519 490066594 /nfs/dbraw/zinc/06/65/94/490066594.db2.gz GAVODZVUNYJIRJ-CYBMUJFWSA-N 1 0 248.326 2.188 20 30 BEEDRO C=C(C)C[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000143898736 490097007 /nfs/dbraw/zinc/09/70/07/490097007.db2.gz WCVLZPQDPPUVLC-UHFFFAOYSA-N 1 0 217.312 2.369 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+]1CC=CCC1 ZINC000679322235 490112748 /nfs/dbraw/zinc/11/27/48/490112748.db2.gz WRPCWNPPGGOABS-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C#C[C@H](C)N(C)C[C@@H]1CCCC[N@H+]1C(C)C ZINC000491792587 490119639 /nfs/dbraw/zinc/11/96/39/490119639.db2.gz GPKQAYODCBQEDI-KBPBESRZSA-N 1 0 222.376 2.203 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)C1CCC1 ZINC000491792959 490119706 /nfs/dbraw/zinc/11/97/06/490119706.db2.gz IOYBAQOEYAPTCB-TZMCWYRMSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000651813584 490143641 /nfs/dbraw/zinc/14/36/41/490143641.db2.gz QNVYCJGDKNKLOB-YPMHNXCESA-N 1 0 219.332 2.287 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CCCOC2)C1 ZINC000651813091 490143880 /nfs/dbraw/zinc/14/38/80/490143880.db2.gz WRNXZGWWMROJED-XQQFMLRXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)ccc1F ZINC000303552382 490167826 /nfs/dbraw/zinc/16/78/26/490167826.db2.gz ZHTWWHGBZSPPFL-UHFFFAOYSA-N 1 0 223.291 2.426 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCc2ccccc21 ZINC000303550494 490167904 /nfs/dbraw/zinc/16/79/04/490167904.db2.gz KYESLDWJSIINMJ-AWEZNQCLSA-N 1 0 217.312 2.466 20 30 BEEDRO CC[NH+]1CCC(CNc2cccc(C#N)n2)CC1 ZINC000081595924 490284975 /nfs/dbraw/zinc/28/49/75/490284975.db2.gz XUORJKDJHIERAG-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC[C@H](C)O ZINC000657988063 490299537 /nfs/dbraw/zinc/29/95/37/490299537.db2.gz ADBOIENVQDQIMG-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)c1cc2ccccc2o1 ZINC000292823840 490372450 /nfs/dbraw/zinc/37/24/50/490372450.db2.gz OECKSCGKLRKKMH-CYBMUJFWSA-N 1 0 243.306 2.421 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC000305812298 490621237 /nfs/dbraw/zinc/62/12/37/490621237.db2.gz MSDPJJKPKADRQT-CQSZACIVSA-N 1 0 249.354 2.243 20 30 BEEDRO COCC#CC[N@@H+]1CCCC[C@H]1C(C)C ZINC000677818024 490664712 /nfs/dbraw/zinc/66/47/12/490664712.db2.gz SGKONBOCWQEHEL-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000491641450 491079877 /nfs/dbraw/zinc/07/98/77/491079877.db2.gz QYNNLJSCSZOFFO-LLVKDONJSA-N 1 0 233.311 2.157 20 30 BEEDRO C=CCCCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000582793650 491067197 /nfs/dbraw/zinc/06/71/97/491067197.db2.gz KJLKRGJGYOXFJR-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C#CC[N@@H+](C[C@H](OC)c1ccccc1)C1CC1 ZINC000284548293 491120947 /nfs/dbraw/zinc/12/09/47/491120947.db2.gz XPSUGZWWAVCDEA-HNNXBMFYSA-N 1 0 229.323 2.472 20 30 BEEDRO CC(C)(C#N)CC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000119600444 491128339 /nfs/dbraw/zinc/12/83/39/491128339.db2.gz KLCYWBISNSQPOI-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC000890810316 582571803 /nfs/dbraw/zinc/57/18/03/582571803.db2.gz RSACVRKGXNAKER-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000488431244 533725763 /nfs/dbraw/zinc/72/57/63/533725763.db2.gz HKQGJOWQKKZJEO-DGCLKSJQSA-N 1 0 230.311 2.183 20 30 BEEDRO C[C@H]1CN(CCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000307742607 533923861 /nfs/dbraw/zinc/92/38/61/533923861.db2.gz VOUHNHYLCIXWEW-AWEZNQCLSA-N 1 0 243.354 2.106 20 30 BEEDRO C[C@H]1COC(C)(C)C[N@@H+]1CCCCC#N ZINC000488238878 534019131 /nfs/dbraw/zinc/01/91/31/534019131.db2.gz YCLPTCSDVLBHQH-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H]1COC(C)(C)C[N@@H+]1CCCSCC#N ZINC000488211662 534020261 /nfs/dbraw/zinc/02/02/61/534020261.db2.gz AXJYDBIFKFCIHY-NSHDSACASA-N 1 0 242.388 2.133 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CCC(OC)CC1 ZINC000164257445 536055918 /nfs/dbraw/zinc/05/59/18/536055918.db2.gz HQBSNKGTRLGNRN-VOMCLLRMSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(OCC)c1 ZINC000184279518 534317030 /nfs/dbraw/zinc/31/70/30/534317030.db2.gz OCXYILNUBLUHAE-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccco1 ZINC000186718174 534317803 /nfs/dbraw/zinc/31/78/03/534317803.db2.gz BCIOVYQJEBKSPI-RYUDHWBXSA-N 1 0 223.316 2.127 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340538007 534325281 /nfs/dbraw/zinc/32/52/81/534325281.db2.gz SPHNLEZWVMYSFE-AVGNSLFASA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)N[C@H](C)CC[NH3+] ZINC000892057111 582777008 /nfs/dbraw/zinc/77/70/08/582777008.db2.gz WUSSMEXUOKMEIP-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1c[nH]nc1C ZINC000130141189 534355565 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/nfs/dbraw/zinc/39/47/73/534394773.db2.gz PUQLPUWFHOOFFY-ZDUSSCGKSA-N 1 0 211.349 2.341 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361590633 534399798 /nfs/dbraw/zinc/39/97/98/534399798.db2.gz VJDOBWKQYZRXBI-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(F)ccc1C ZINC000350344228 534398485 /nfs/dbraw/zinc/39/84/85/534398485.db2.gz YRICIEKEUBYOEA-LBPRGKRZSA-N 1 0 237.318 2.408 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000342728636 534401641 /nfs/dbraw/zinc/40/16/41/534401641.db2.gz XEQDWXVVDICTKO-YNEHKIRRSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@@H](CC)O[C@]2(CCOC2)C1 ZINC000361502283 534402388 /nfs/dbraw/zinc/40/23/88/534402388.db2.gz WBDXNZZSMZLNPA-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000342728634 534402653 /nfs/dbraw/zinc/40/26/53/534402653.db2.gz XEQDWXVVDICTKO-XQQFMLRXSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000892146253 582800583 /nfs/dbraw/zinc/80/05/83/582800583.db2.gz OXONEBXKQHFHEU-QWRGUYRKSA-N 1 0 241.379 2.014 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000335903011 534456261 /nfs/dbraw/zinc/45/62/61/534456261.db2.gz VCLHTWNULLRXCB-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC1CC[NH+](Cc2ccnc(C)n2)CC1 ZINC000334360278 534530699 /nfs/dbraw/zinc/53/06/99/534530699.db2.gz YNVCNYBTCBJGII-UHFFFAOYSA-N 1 0 217.316 2.183 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000309670041 534537174 /nfs/dbraw/zinc/53/71/74/534537174.db2.gz JKVNYTMDRRIVLE-TZIYXEQSSA-N 1 0 217.312 2.226 20 30 BEEDRO C=CCC(C)(C)C(=O)N(CCC)CC[NH+](C)C ZINC000340616301 534534674 /nfs/dbraw/zinc/53/46/74/534534674.db2.gz MIIZAVMJJASRRS-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(OCC(C)C)c1 ZINC000352466075 534539493 /nfs/dbraw/zinc/53/94/93/534539493.db2.gz UEYVLMGYMBFEQE-AWEZNQCLSA-N 1 0 249.354 2.358 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(CCC)c1 ZINC000289841994 534539864 /nfs/dbraw/zinc/53/98/64/534539864.db2.gz NFLPCDPGWACXTK-AWEZNQCLSA-N 1 0 219.328 2.276 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000352472272 534540290 /nfs/dbraw/zinc/54/02/90/534540290.db2.gz AVBWAPPYHUZVHE-NSHDSACASA-N 1 0 248.351 2.241 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC000353581467 534542451 /nfs/dbraw/zinc/54/24/51/534542451.db2.gz ZLEBZMMRJVAYMK-ONGXEEELSA-N 1 0 239.290 2.032 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](CC)Cn1cncn1 ZINC000340430199 534555334 /nfs/dbraw/zinc/55/53/34/534555334.db2.gz QJBURJCWZUSENN-GFCCVEGCSA-N 1 0 236.363 2.249 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCn1cc(C)cn1 ZINC000342116877 534559921 /nfs/dbraw/zinc/55/99/21/534559921.db2.gz BTYCIMCLENZMMP-CYBMUJFWSA-N 1 0 219.332 2.232 20 30 BEEDRO C=CCC(F)(F)C(=O)NCC[N@@H+](CC)CCC ZINC000293195195 534573582 /nfs/dbraw/zinc/57/35/82/534573582.db2.gz LFCJGRKMZDETGV-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@](C)(C[NH3+])C(C)C ZINC000236799659 534570262 /nfs/dbraw/zinc/57/02/62/534570262.db2.gz RPCHHFHDHZHOLZ-CQSZACIVSA-N 1 0 238.375 2.244 20 30 BEEDRO C=CCC1(CNC2=[NH+]CCN2C)CCCC1 ZINC000263215513 534596649 /nfs/dbraw/zinc/59/66/49/534596649.db2.gz ZWKNTJSVCDJRAJ-UHFFFAOYSA-N 1 0 221.348 2.014 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000376568853 534607693 /nfs/dbraw/zinc/60/76/93/534607693.db2.gz ITJWCIMQSOSBSD-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000173045260 534618949 /nfs/dbraw/zinc/61/89/49/534618949.db2.gz RWUXTISKLYCIHH-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC1(C(=O)NCC[NH+](CC)CC)CC1 ZINC000353311955 534636779 /nfs/dbraw/zinc/63/67/79/534636779.db2.gz JCKGSPNWXZIMMT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355876208 534647381 /nfs/dbraw/zinc/64/73/81/534647381.db2.gz DKJIWWHSVWHQFW-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCC(=O)N(CCC)C1CC[NH2+]CC1 ZINC000178654085 534649596 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534719562 /nfs/dbraw/zinc/71/95/62/534719562.db2.gz NSFLLGKYLAWZFB-CYBMUJFWSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000291672172 534732533 /nfs/dbraw/zinc/73/25/33/534732533.db2.gz WKGGDCDPDGDTPL-UHFFFAOYSA-N 1 0 216.288 2.014 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000303986324 534732724 /nfs/dbraw/zinc/73/27/24/534732724.db2.gz JLCUCHQMCULFQD-UHFFFAOYSA-N 1 0 220.316 2.454 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000345355512 534736794 /nfs/dbraw/zinc/73/67/94/534736794.db2.gz MGOPUXWSGAVWMM-MNOVXSKESA-N 1 0 205.305 2.445 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000340940293 534755093 /nfs/dbraw/zinc/75/50/93/534755093.db2.gz NGKXJSHIPGFRTI-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000305790660 534755107 /nfs/dbraw/zinc/75/51/07/534755107.db2.gz ZZCGACOPBFFJOR-FRRDWIJNSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)COc1cccc(C)c1 ZINC000342767062 534768537 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/nfs/dbraw/zinc/27/56/33/526275633.db2.gz TVUBIJHTUZOOQG-UHFFFAOYSA-N 1 0 240.347 2.162 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC)C1 ZINC000495513349 526624145 /nfs/dbraw/zinc/62/41/45/526624145.db2.gz KKBCISSFOLUXBR-RYUDHWBXSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(CC)C[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000494487217 526852072 /nfs/dbraw/zinc/85/20/72/526852072.db2.gz SWUIFPLLQNPREX-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000496282117 526852642 /nfs/dbraw/zinc/85/26/42/526852642.db2.gz HTXAUEQPKBREHI-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1 ZINC000305738701 526867735 /nfs/dbraw/zinc/86/77/35/526867735.db2.gz WSIUOZBJJCJNJT-CQSZACIVSA-N 1 0 247.338 2.208 20 30 BEEDRO C#CC[N@@H+](CCC1(O)CC1)C1CCCCC1 ZINC000490717038 526901607 /nfs/dbraw/zinc/90/16/07/526901607.db2.gz AIIUIRGYXPZKKO-UHFFFAOYSA-N 1 0 221.344 2.169 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CC)[C@H]1CCc2ccccc21 ZINC000304426105 526903371 /nfs/dbraw/zinc/90/33/71/526903371.db2.gz JNEZXMARZQTMPS-HOCLYGCPSA-N 1 0 243.350 2.380 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@H](O)C1 ZINC000305724818 526932245 /nfs/dbraw/zinc/93/22/45/526932245.db2.gz GCFRNHQYTLAKAF-AWEZNQCLSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495418731 527162615 /nfs/dbraw/zinc/16/26/15/527162615.db2.gz OVLJNDBTENBWAI-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCCC[N@@H+](C)CN1CC(C)(C)OC1=O ZINC000494108749 527192186 /nfs/dbraw/zinc/19/21/86/527192186.db2.gz XTPBTNZUCXMENK-UHFFFAOYSA-N 1 0 226.320 2.073 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)c1cccc(Cl)c1 ZINC000491743811 527214244 /nfs/dbraw/zinc/21/42/44/527214244.db2.gz WVBHEWTUNHEEQR-MFKMUULPSA-N 1 0 237.730 2.327 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300976955 527246188 /nfs/dbraw/zinc/24/61/88/527246188.db2.gz SUVMDDFLDXBJOI-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@@H](CCC)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000491624697 527256337 /nfs/dbraw/zinc/25/63/37/527256337.db2.gz JTRFSJBLVMWLCC-NEPJUHHUSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000494670704 527275643 /nfs/dbraw/zinc/27/56/43/527275643.db2.gz GOOBXLSBOIIGLN-NWDGAFQWSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000495814416 527325606 /nfs/dbraw/zinc/32/56/06/527325606.db2.gz OTLQYNKOYXKZMB-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404147255 527362153 /nfs/dbraw/zinc/36/21/53/527362153.db2.gz PAFTVDBPXJOOIZ-GFCCVEGCSA-N 1 0 216.259 2.199 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])NCCCCCC ZINC000491441672 527363765 /nfs/dbraw/zinc/36/37/65/527363765.db2.gz XFLMANJOPJDGBL-GFCCVEGCSA-N 1 0 223.364 2.483 20 30 BEEDRO C#C[C@H]([NH2+]CC1(O)CCC(C)CC1)C(C)C ZINC000491775730 527409453 /nfs/dbraw/zinc/40/94/53/527409453.db2.gz VLQSOGRJRWHDQS-MOKVOYLWSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccccc1C)C(C)C ZINC000491508420 527409646 /nfs/dbraw/zinc/40/96/46/527409646.db2.gz ZUYSKWFXCQMBED-GJZGRUSLSA-N 1 0 231.339 2.276 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)nc1)C(C)C ZINC000300940215 527409936 /nfs/dbraw/zinc/40/99/36/527409936.db2.gz ORHRJIGZRFACJF-ZDUSSCGKSA-N 1 0 202.301 2.137 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(OC(C)C)C1)C(C)C ZINC000308882645 527410217 /nfs/dbraw/zinc/41/02/17/527410217.db2.gz UUARKVKHZKDNKB-BPCQOVAHSA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC000300899859 527412979 /nfs/dbraw/zinc/41/29/79/527412979.db2.gz KUGAVQWRBGNYED-RDBSUJKOSA-N 1 0 223.360 2.437 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)(C)C ZINC000308817229 527412963 /nfs/dbraw/zinc/41/29/63/527412963.db2.gz AWKIMOAZWUTMRB-UTUOFQBUSA-N 1 0 204.317 2.316 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC000300899856 527413901 /nfs/dbraw/zinc/41/39/01/527413901.db2.gz KUGAVQWRBGNYED-MELADBBJSA-N 1 0 223.360 2.437 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)OCC)C1 ZINC000495382674 527465887 /nfs/dbraw/zinc/46/58/87/527465887.db2.gz SEWBDWNZUVUOFL-RYUDHWBXSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000305096693 527494293 /nfs/dbraw/zinc/49/42/93/527494293.db2.gz UILBCSVARQWSLJ-UPJWGTAASA-N 1 0 211.349 2.434 20 30 BEEDRO COC[C@H]1CCC[N@H+](CCCCC#N)C1 ZINC000112989274 536523286 /nfs/dbraw/zinc/52/32/86/536523286.db2.gz VBQNQUZEGOFFLE-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccc(C#N)c(C)c1 ZINC000487907160 528429584 /nfs/dbraw/zinc/42/95/84/528429584.db2.gz HZGYMDRXMVWVPO-UHFFFAOYSA-N 1 0 246.354 2.461 20 30 BEEDRO CC(C)(CCC#N)C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000378346161 534997407 /nfs/dbraw/zinc/99/74/07/534997407.db2.gz PIFOTZRYNPBDQE-TXEJJXNPSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000330679873 535006658 /nfs/dbraw/zinc/00/66/58/535006658.db2.gz YDWKGHULQSOZBB-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCCO[C@H]21 ZINC000349308536 535077625 /nfs/dbraw/zinc/07/76/25/535077625.db2.gz ABRIPSPYYSGKMU-RYMFRWLXSA-N 1 0 248.370 2.472 20 30 BEEDRO CC(C)(CO)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309420311 535164818 /nfs/dbraw/zinc/16/48/18/535164818.db2.gz ZNCCSFYOYMMFBW-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO CCN/C(=[NH+]/CC)N1CCS[C@@H](C(C)C)C1 ZINC000261774545 535260473 /nfs/dbraw/zinc/26/04/73/535260473.db2.gz OKYLRHCIBPEKDJ-LLVKDONJSA-N 1 0 243.420 2.045 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(C)c(OC)c1 ZINC000264098918 535261532 /nfs/dbraw/zinc/26/15/32/535261532.db2.gz NLCZTFCRAZDKSM-UHFFFAOYSA-N 1 0 249.358 2.208 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cccc(COC)c1 ZINC000264129833 535261742 /nfs/dbraw/zinc/26/17/42/535261742.db2.gz XQCPOEIVTCOQMM-UHFFFAOYSA-N 1 0 249.358 2.037 20 30 BEEDRO CCOCC(C)(C)CNC(=[NH2+])Nc1ccccc1 ZINC000288655739 535423234 /nfs/dbraw/zinc/42/32/34/535423234.db2.gz FSQLXTUQOLUNGB-UHFFFAOYSA-N 1 0 249.358 2.476 20 30 BEEDRO CC[NH+](CC)CCCN(C[C@@H](C)C#N)C1CC1 ZINC000338289729 535507813 /nfs/dbraw/zinc/50/78/13/535507813.db2.gz URUJXCSDAAHOKC-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO CCOc1ccc(CNC(=[NH2+])N[C@@H](C)CC)cc1 ZINC000264103933 535711824 /nfs/dbraw/zinc/71/18/24/535711824.db2.gz NFRGJMNVDRFMFY-NSHDSACASA-N 1 0 249.358 2.288 20 30 BEEDRO CCNC(NCc1ccccc1CC)=[NH+]CC ZINC000267416792 535786823 /nfs/dbraw/zinc/78/68/23/535786823.db2.gz JKDNARLZVOURJX-UHFFFAOYSA-N 1 0 233.359 2.324 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+]CCCC#N)CCO1 ZINC000309140102 535900081 /nfs/dbraw/zinc/90/00/81/535900081.db2.gz GWPQDOBNIQQANX-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000344721549 535914666 /nfs/dbraw/zinc/91/46/66/535914666.db2.gz JFGDUVFKECQSCU-AWEZNQCLSA-N 1 0 248.326 2.446 20 30 BEEDRO CCc1ccccc1C[NH+]=C(N(C)C)N(C)C ZINC000262552011 535936278 /nfs/dbraw/zinc/93/62/78/535936278.db2.gz YZAMZPFIKKOYMI-UHFFFAOYSA-N 1 0 233.359 2.228 20 30 BEEDRO C[N@@H+](CCC#N)CCCCC1CCOCC1 ZINC000304132555 536298758 /nfs/dbraw/zinc/29/87/58/536298758.db2.gz YWXXPQRSZKSRLO-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C[NH2+][C@@H](C)CNc1cc(C#N)c2ccccc2n1 ZINC000261593471 536344191 /nfs/dbraw/zinc/34/41/91/536344191.db2.gz ZDQCSJVPSPXEHJ-JTQLQIEISA-N 1 0 240.310 2.126 20 30 BEEDRO CN(CCC[NH+]1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339156837 536346855 /nfs/dbraw/zinc/34/68/55/536346855.db2.gz VYRMYNZLTQEHAA-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO CN1CCC[NH+]=C1NCC1(C2CCC2)CCC1 ZINC000263064036 536361106 /nfs/dbraw/zinc/36/11/06/536361106.db2.gz FWHGEEGBOSTJIX-UHFFFAOYSA-N 1 0 235.375 2.238 20 30 BEEDRO C[NH2+][C@H](C)CNc1ccc(Cl)cc1C#N ZINC000261536781 536404571 /nfs/dbraw/zinc/40/45/71/536404571.db2.gz SWYNUJBUIRKPMY-MRVPVSSYSA-N 1 0 223.707 2.231 20 30 BEEDRO COC1(C)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000309318597 536563015 /nfs/dbraw/zinc/56/30/15/536563015.db2.gz GNUZBNWUIFDFOR-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO COCCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037232368 536590483 /nfs/dbraw/zinc/59/04/83/536590483.db2.gz OKYVTFGDNULBRY-LBPRGKRZSA-N 1 0 248.326 2.276 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@@H]2CC[C@H]2C)cc1 ZINC000262628951 536655162 /nfs/dbraw/zinc/65/51/62/536655162.db2.gz FHTJAPNQBISRDK-BXKDBHETSA-N 1 0 233.315 2.220 20 30 BEEDRO COc1cc(CNC(=[NH2+])NCC(C)C)ccc1C ZINC000264084632 536710179 /nfs/dbraw/zinc/71/01/79/536710179.db2.gz IRJJZKDXGVEEHJ-UHFFFAOYSA-N 1 0 249.358 2.064 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339095670 536743079 /nfs/dbraw/zinc/74/30/79/536743079.db2.gz FEQZVYVWWQTCCJ-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@H]1CC[N@H+](CCC(C)(C)C#N)[C@H](C)C1 ZINC000304149695 536745000 /nfs/dbraw/zinc/74/50/00/536745000.db2.gz GRLAJSACWRXEKU-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@H]1CC[C@@H](C)C1 ZINC000362165042 536834391 /nfs/dbraw/zinc/83/43/91/536834391.db2.gz UCXZBPRTEUFYOJ-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249057350 536878944 /nfs/dbraw/zinc/87/89/44/536878944.db2.gz ZBLVIMKSLQRQOD-QCNOEVLYSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(OCCOC)o1 ZINC000893929551 583250921 /nfs/dbraw/zinc/25/09/21/583250921.db2.gz IRNCFEJTBZDKHW-UHFFFAOYSA-N 1 0 239.315 2.313 20 30 BEEDRO CCNC(NCC(F)(F)C(C)(C)C)=[NH+]CC ZINC000853012783 588715524 /nfs/dbraw/zinc/71/55/24/588715524.db2.gz GDMRIQBMFZWKTF-UHFFFAOYSA-N 1 0 235.322 2.243 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853104453 588720346 /nfs/dbraw/zinc/72/03/46/588720346.db2.gz UBLZONSTZOCJJI-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C#Cc1cccnc1NC[C@H](C)C[NH+]1CCCC1 ZINC000853196043 588724459 /nfs/dbraw/zinc/72/44/59/588724459.db2.gz NQAJHNPBIYSBDQ-ZDUSSCGKSA-N 1 0 243.354 2.207 20 30 BEEDRO CC[C@@H]1CCCC(=[NH+]n2cnnc2)CC1 ZINC000853254387 588729352 /nfs/dbraw/zinc/72/93/52/588729352.db2.gz TWBPEJOQQFBVIU-SNVBAGLBSA-N 1 0 206.293 2.473 20 30 BEEDRO C1CC12CCCC2=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000853325508 588733001 /nfs/dbraw/zinc/73/30/01/588733001.db2.gz WFTITIZPRWYWPQ-PHIMTYICSA-N 1 0 246.358 2.167 20 30 BEEDRO C#Cc1cccnc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853412332 588741680 /nfs/dbraw/zinc/74/16/80/588741680.db2.gz ZVCACGAGTJDIIG-UONOGXRCSA-N 1 0 243.354 2.348 20 30 BEEDRO C#CCCCCNc1cc(CC(=O)OC)ccn1 ZINC000853445727 588743742 /nfs/dbraw/zinc/74/37/42/588743742.db2.gz VEDCXINWDXZKPC-UHFFFAOYSA-N 1 0 246.310 2.013 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CN2CCSC2=O)C1 ZINC000853537496 588748027 /nfs/dbraw/zinc/74/80/27/588748027.db2.gz YUSFADCZMLVZDV-LLVKDONJSA-N 1 0 240.372 2.401 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1CCSC1=O ZINC000853598777 588750248 /nfs/dbraw/zinc/75/02/48/588750248.db2.gz WUSYAFISIBEASI-PHIMTYICSA-N 1 0 238.356 2.296 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1CCC(C)(C)C1=O ZINC000853598730 588750323 /nfs/dbraw/zinc/75/03/23/588750323.db2.gz VISFCVJGPRWOGN-BETUJISGSA-N 1 0 248.370 2.385 20 30 BEEDRO C#Cc1cccnc1NCCCC[N@@H+](C)C1CC1 ZINC000853678496 588755258 /nfs/dbraw/zinc/75/52/58/588755258.db2.gz JLROTAVNIKCWDF-UHFFFAOYSA-N 1 0 243.354 2.349 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc(C)[nH+]c(N)n1 ZINC000853952167 588770193 /nfs/dbraw/zinc/77/01/93/588770193.db2.gz XEAIBXNZNLROAO-PHIMTYICSA-N 1 0 230.315 2.055 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000854159273 588777021 /nfs/dbraw/zinc/77/70/21/588777021.db2.gz WUGLKNIKFVCDQT-KYZUINATSA-N 1 0 221.304 2.128 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]([NH3+])C(C)C ZINC000112150672 588783296 /nfs/dbraw/zinc/78/32/96/588783296.db2.gz BNHRTHJVWORVQL-LBPRGKRZSA-N 1 0 228.380 2.446 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858577169 582468097 /nfs/dbraw/zinc/46/80/97/582468097.db2.gz ACIOEYFSIGDGPT-RYUDHWBXSA-N 1 0 242.363 2.119 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000890545070 582469351 /nfs/dbraw/zinc/46/93/51/582469351.db2.gz CITHHQHVCZTPAP-OLZOCXBDSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000890549015 582470881 /nfs/dbraw/zinc/47/08/81/582470881.db2.gz FJBDPRMGUHORJK-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC000890557493 582477139 /nfs/dbraw/zinc/47/71/39/582477139.db2.gz AAWOZRAGQQYVGF-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000890562515 582478133 /nfs/dbraw/zinc/47/81/33/582478133.db2.gz ABPNAASMAUOECH-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000811652111 582482518 /nfs/dbraw/zinc/48/25/18/582482518.db2.gz ASWHYVFAYDNOMW-UHFFFAOYSA-N 1 0 244.342 2.181 20 30 BEEDRO C=CCCCC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890883251 582586518 /nfs/dbraw/zinc/58/65/18/582586518.db2.gz PBAZRFQIUHUWHC-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCCC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000855489930 588838042 /nfs/dbraw/zinc/83/80/42/588838042.db2.gz DGAVZPFJPQUAEH-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000113493435 588842300 /nfs/dbraw/zinc/84/23/00/588842300.db2.gz NXNTZGQPOMOWRK-GFCCVEGCSA-N 1 0 226.364 2.200 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCc1cc(C)cc(C)c1 ZINC000855613681 588842488 /nfs/dbraw/zinc/84/24/88/588842488.db2.gz DQZRSGCZCFDVFF-UHFFFAOYSA-N 1 0 246.354 2.037 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cnn(CC2CCC2)c1 ZINC000891716278 582713157 /nfs/dbraw/zinc/71/31/57/582713157.db2.gz NDXLQQXCGASKFO-GFCCVEGCSA-N 1 0 246.358 2.275 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cccc2c1OCC2 ZINC000891716319 582713564 /nfs/dbraw/zinc/71/35/64/582713564.db2.gz OEKLDSDIXMLPSJ-NSHDSACASA-N 1 0 230.311 2.213 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1C[C@]1(C)Br ZINC000891805215 582724705 /nfs/dbraw/zinc/72/47/05/582724705.db2.gz FOXDZTAECIQQJI-UWVGGRQHSA-N 1 0 230.149 2.115 20 30 BEEDRO CC(C)C1CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000779799919 582735033 /nfs/dbraw/zinc/73/50/33/582735033.db2.gz YMTCMPLLCIXQGU-VUWPPUDQSA-N 1 0 236.363 2.126 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1csc(C#N)c1 ZINC000892225108 582809360 /nfs/dbraw/zinc/80/93/60/582809360.db2.gz MGLQSPGFMIXVTK-UHFFFAOYSA-N 1 0 238.356 2.477 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000848923556 582815551 /nfs/dbraw/zinc/81/55/51/582815551.db2.gz NCEKGOPFDGJJJU-ZDUSSCGKSA-N 1 0 245.370 2.483 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+]C1CCC1 ZINC000849005627 582822510 /nfs/dbraw/zinc/82/25/10/582822510.db2.gz NEZKSPIKHXJAHO-UHFFFAOYSA-N 1 0 231.343 2.246 20 30 BEEDRO C=CCNC(=[NH2+])NCCOC1CCCCCC1 ZINC000849008261 582822879 /nfs/dbraw/zinc/82/28/79/582822879.db2.gz BJEQNHQBCCISOA-UHFFFAOYSA-N 1 0 239.363 2.026 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])NCCCC)c1 ZINC000849038698 582838295 /nfs/dbraw/zinc/83/82/95/582838295.db2.gz YAJHCRSVEIVING-UHFFFAOYSA-N 1 0 229.327 2.082 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCC[C@H]1C1CC1 ZINC000849041143 582839276 /nfs/dbraw/zinc/83/92/76/582839276.db2.gz LPPNSGVHEBWWAL-NEPJUHHUSA-N 1 0 221.348 2.113 20 30 BEEDRO N#CC1(CNC(=[NH2+])N2CCCCC2)CCCC1 ZINC000849047266 582840902 /nfs/dbraw/zinc/84/09/02/582840902.db2.gz SJDVKLSMIWHLFP-UHFFFAOYSA-N 1 0 234.347 2.081 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000892346214 582863838 /nfs/dbraw/zinc/86/38/38/582863838.db2.gz XKBOILUFGIEHOD-ZDUSSCGKSA-N 1 0 244.342 2.014 20 30 BEEDRO CC[N@H+](CCNCC#Cc1ccccc1)C(C)C ZINC000892799716 582985670 /nfs/dbraw/zinc/98/56/70/582985670.db2.gz BYIGQFXOHHPUFY-UHFFFAOYSA-N 1 0 244.382 2.358 20 30 BEEDRO C[C@@]1(Br)C[C@H]1C[NH2+]CCCCC#N ZINC000892930349 583011324 /nfs/dbraw/zinc/01/13/24/583011324.db2.gz UBTOLJHPHKTZPP-VHSXEESVSA-N 1 0 245.164 2.443 20 30 BEEDRO N#CCCCC[NH2+]Cc1nccn1C1CC1 ZINC000892930409 583011532 /nfs/dbraw/zinc/01/15/32/583011532.db2.gz WMPBMMRQAPZMMU-UHFFFAOYSA-N 1 0 218.304 2.001 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccnc(OC)c1F ZINC000892951091 583017697 /nfs/dbraw/zinc/01/76/97/583017697.db2.gz RRFCBFXKPOUFTC-SECBINFHSA-N 1 0 224.279 2.284 20 30 BEEDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000893077521 583043563 /nfs/dbraw/zinc/04/35/63/583043563.db2.gz LFEKAWMHLDKOCG-WDEREUQCSA-N 1 0 246.310 2.160 20 30 BEEDRO OC[C@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)CC1 ZINC000893126619 583053278 /nfs/dbraw/zinc/05/32/78/583053278.db2.gz QHVUMXDMJAAUFL-WKILWMFISA-N 1 0 243.350 2.179 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856770147 588876633 /nfs/dbraw/zinc/87/66/33/588876633.db2.gz NHEBYHMTEOPBNZ-MRVPVSSYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893475135 583150838 /nfs/dbraw/zinc/15/08/38/583150838.db2.gz JPAMZPVZNWLDOD-UHFFFAOYSA-N 1 0 241.718 2.338 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1csc(C#N)c1 ZINC000893668723 583192390 /nfs/dbraw/zinc/19/23/90/583192390.db2.gz HIEFZTRFUPQHKD-GHMZBOCLSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1csc(C#N)c1 ZINC000893670047 583192480 /nfs/dbraw/zinc/19/24/80/583192480.db2.gz YBAYPKAPNLGDFH-QWRGUYRKSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1CCC(O)CC1 ZINC000893691566 583200197 /nfs/dbraw/zinc/20/01/97/583200197.db2.gz UMXBWBTZZJLBMS-UNXYVOJBSA-N 1 0 224.348 2.208 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1 ZINC000857060894 588884908 /nfs/dbraw/zinc/88/49/08/588884908.db2.gz FUQPQNWIFWMQCZ-CZUORRHYSA-N 1 0 243.350 2.118 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000893934204 583252497 /nfs/dbraw/zinc/25/24/97/583252497.db2.gz WOTPLRRMGICGDJ-QWHCGFSZSA-N 1 0 217.312 2.051 20 30 BEEDRO C=CCC(C)(C)CNc1nc(N)cc(C)[nH+]1 ZINC000893971750 583263593 /nfs/dbraw/zinc/26/35/93/583263593.db2.gz GIOCPNCDCHLRSQ-UHFFFAOYSA-N 1 0 220.320 2.381 20 30 BEEDRO C=C1CC[NH+](Cc2c(C)ccnc2N)CC1 ZINC000894006625 583270274 /nfs/dbraw/zinc/27/02/74/583270274.db2.gz XCPSOSVIZXBQSI-UHFFFAOYSA-N 1 0 217.316 2.124 20 30 BEEDRO C#C[C@H](C)N(C)Cc1ccnn1C1CCC1 ZINC000894059892 583292102 /nfs/dbraw/zinc/29/21/02/583292102.db2.gz MOXWDDFLUIRIJY-NSHDSACASA-N 1 0 217.316 2.062 20 30 BEEDRO C#C[C@H](C)N(C)Cc1csc(C#N)c1 ZINC000894059905 583292111 /nfs/dbraw/zinc/29/21/11/583292111.db2.gz MRUFSGUACNAVNV-VIFPVBQESA-N 1 0 204.298 2.073 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000894060771 583292355 /nfs/dbraw/zinc/29/23/55/583292355.db2.gz YAGFKXVDHBZDHS-IVZWLZJFSA-N 1 0 230.149 2.113 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@H]1COc2ccccc2C1 ZINC000894081924 583294623 /nfs/dbraw/zinc/29/46/23/583294623.db2.gz JWWIYCFXSMHEDY-WCQYABFASA-N 1 0 230.311 2.129 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccnn1CC1CCC1 ZINC000877512981 583319944 /nfs/dbraw/zinc/31/99/44/583319944.db2.gz HRTDUOAUXXYGJW-CYBMUJFWSA-N 1 0 231.343 2.185 20 30 BEEDRO Cc1cc(F)ncc1C[NH2+]CC1(CC#N)CC1 ZINC000894197825 583336766 /nfs/dbraw/zinc/33/67/66/583336766.db2.gz QHMGPKDCYCYYJV-UHFFFAOYSA-N 1 0 233.290 2.313 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000877634272 583340321 /nfs/dbraw/zinc/34/03/21/583340321.db2.gz LXKTZCGXEMOSRD-BETUJISGSA-N 1 0 237.343 2.111 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)C1CCOCC1 ZINC000877636683 583340405 /nfs/dbraw/zinc/34/04/05/583340405.db2.gz APWOPTJHYGZICX-USWWRNFRSA-N 1 0 243.297 2.048 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000878058947 583359559 /nfs/dbraw/zinc/35/95/59/583359559.db2.gz DVVVRRLAZWUBHA-STQMWFEESA-N 1 0 219.332 2.485 20 30 BEEDRO C=CC1CC[NH+](Cc2nocc2C)CC1 ZINC000878093118 583361049 /nfs/dbraw/zinc/36/10/49/583361049.db2.gz FOSPVQFLLSOHKV-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO C[C@H](CC#N)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857246768 588901229 /nfs/dbraw/zinc/90/12/29/588901229.db2.gz HLUDUCRBXMRUMN-SFYZADRCSA-N 1 0 221.131 2.462 20 30 BEEDRO N#CCC1(CN2CCC[C@@H]2c2ncc[nH]2)CC1 ZINC000878338443 583370402 /nfs/dbraw/zinc/37/04/02/583370402.db2.gz SWCYWCBIAMXKGF-LLVKDONJSA-N 1 0 230.315 2.240 20 30 BEEDRO C=C(Cl)C[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000726843427 583378107 /nfs/dbraw/zinc/37/81/07/583378107.db2.gz DPISMTYMACFQLN-QMMMGPOBSA-N 1 0 231.723 2.012 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894331115 583425257 /nfs/dbraw/zinc/42/52/57/583425257.db2.gz BOZVYHUMHTUCNM-UHFFFAOYSA-N 1 0 243.310 2.424 20 30 BEEDRO C#CC1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000894356045 583434914 /nfs/dbraw/zinc/43/49/14/583434914.db2.gz LIKVBACNEKUOML-UHFFFAOYSA-N 1 0 235.718 2.167 20 30 BEEDRO C#C[C@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000894383458 583442926 /nfs/dbraw/zinc/44/29/26/583442926.db2.gz LNEWFXVNVBGSJW-ZDUSSCGKSA-N 1 0 222.376 2.108 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000894386527 583443290 /nfs/dbraw/zinc/44/32/90/583443290.db2.gz AITXNXJZMYPMEF-LBPRGKRZSA-N 1 0 217.316 2.110 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000894387363 583444240 /nfs/dbraw/zinc/44/42/40/583444240.db2.gz MEAIISCNWFRDQG-GFCCVEGCSA-N 1 0 249.285 2.114 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@]1(C)Br)C(C)C ZINC000894387793 583444299 /nfs/dbraw/zinc/44/42/99/583444299.db2.gz VXEOBLZYOIICJV-DCAQKATOSA-N 1 0 244.176 2.407 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc(F)cc1C ZINC000894387220 583444818 /nfs/dbraw/zinc/44/48/18/583444818.db2.gz KXPZAZXZIHHESY-NSHDSACASA-N 1 0 206.264 2.031 20 30 BEEDRO CCN(CC#Cc1ccccc1)CCC[NH+](C)C ZINC000894470187 583469411 /nfs/dbraw/zinc/46/94/11/583469411.db2.gz DVRARDLFMBQEQD-UHFFFAOYSA-N 1 0 244.382 2.312 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OC)o1)C(C)(C)C ZINC000894517594 583476574 /nfs/dbraw/zinc/47/65/74/583476574.db2.gz MCUHDSSEJSNZGQ-NSHDSACASA-N 1 0 221.300 2.426 20 30 BEEDRO C=CCCC[NH2+]Cc1c(C)ccnc1N ZINC000894597504 583493177 /nfs/dbraw/zinc/49/31/77/583493177.db2.gz LPIMTHOAYVSRQV-UHFFFAOYSA-N 1 0 205.305 2.028 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000894657144 583500889 /nfs/dbraw/zinc/50/08/89/583500889.db2.gz OVTXXPUEJYKLCM-BPCQOVAHSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894712086 583510938 /nfs/dbraw/zinc/51/09/38/583510938.db2.gz OKOYNSKXMGCEJI-NWDGAFQWSA-N 1 0 243.322 2.176 20 30 BEEDRO CC[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)[C@@H](C)O ZINC000894734931 583514054 /nfs/dbraw/zinc/51/40/54/583514054.db2.gz MFVUSMCGTHQLEQ-IUODEOHRSA-N 1 0 246.354 2.424 20 30 BEEDRO CCc1nc(CNCC#Cc2ccccc2)co1 ZINC000894744904 583515511 /nfs/dbraw/zinc/51/55/11/583515511.db2.gz GLFKTUZRPRWOLI-UHFFFAOYSA-N 1 0 240.306 2.378 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn2ccnc2s1 ZINC000894775380 583518294 /nfs/dbraw/zinc/51/82/94/583518294.db2.gz KYVUBOCRIKWYPG-UHFFFAOYSA-N 1 0 221.329 2.452 20 30 BEEDRO Cc1nnc([C@H](C)[NH2+]C2CCC(C)(C#N)CC2)[nH]1 ZINC000894777003 583519345 /nfs/dbraw/zinc/51/93/45/583519345.db2.gz HOBZVOYUAPKNMK-FJJSSXBZSA-N 1 0 247.346 2.236 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000115548839 588908653 /nfs/dbraw/zinc/90/86/53/588908653.db2.gz SGCJPIMNYDXGEY-LBPRGKRZSA-N 1 0 227.348 2.452 20 30 BEEDRO COCCO[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000748789701 583549613 /nfs/dbraw/zinc/54/96/13/583549613.db2.gz NWGBCZQYZRBJDY-UHFFFAOYSA-N 1 0 248.326 2.066 20 30 BEEDRO COCCO[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000748789650 583549875 /nfs/dbraw/zinc/54/98/75/583549875.db2.gz MVXPKAAKBLWGPE-UHFFFAOYSA-N 1 0 236.315 2.140 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000895009485 583567091 /nfs/dbraw/zinc/56/70/91/583567091.db2.gz AKNBZMAEYMRJMZ-CABCVRRESA-N 1 0 224.307 2.320 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn3ccnc3s2)C1 ZINC000895009984 583567203 /nfs/dbraw/zinc/56/72/03/583567203.db2.gz JOCLADLNMVJEMB-ZJUUUORDSA-N 1 0 246.339 2.178 20 30 BEEDRO CCC[C@@H]1CN(c2cccc(F)c2C#N)CC[NH2+]1 ZINC000895058452 583575642 /nfs/dbraw/zinc/57/56/42/583575642.db2.gz LOOCSGBWXYCZSC-LLVKDONJSA-N 1 0 247.317 2.276 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2c(C)ccnc2N)C1 ZINC000895077442 583581306 /nfs/dbraw/zinc/58/13/06/583581306.db2.gz GGJFSSPJNSAARS-CYBMUJFWSA-N 1 0 243.354 2.208 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CSC(C)(C)C ZINC000895096639 583588396 /nfs/dbraw/zinc/58/83/96/583588396.db2.gz OKLMYWDCDWLYIS-NEPJUHHUSA-N 1 0 243.416 2.271 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(C)cc1 ZINC000895103279 583589185 /nfs/dbraw/zinc/58/91/85/583589185.db2.gz QSAYXVZEMVERME-ZBFHGGJFSA-N 1 0 245.366 2.462 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000895103419 583589205 /nfs/dbraw/zinc/58/92/05/583589205.db2.gz UHJGMCMRLSVFAT-GOEBONIOSA-N 1 0 245.366 2.290 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000895103278 583589226 /nfs/dbraw/zinc/58/92/26/583589226.db2.gz QSAYXVZEMVERME-HOCLYGCPSA-N 1 0 245.366 2.462 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CC)C(=O)OC ZINC000895128804 583600247 /nfs/dbraw/zinc/60/02/47/583600247.db2.gz XFEPWSKEVLCHFV-WDEREUQCSA-N 1 0 213.321 2.130 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCCC[C@@H]1CO ZINC000895149727 583606117 /nfs/dbraw/zinc/60/61/17/583606117.db2.gz AMXZSLVTCIOCIU-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)=CCC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161028 583610048 /nfs/dbraw/zinc/61/00/48/583610048.db2.gz DBFWWLAZWUNRSQ-VXGBXAGGSA-N 1 0 240.347 2.091 20 30 BEEDRO O=C1[C@H]([NH2+]C2CCCCCCC2)CCCN1O ZINC000895162585 583610833 /nfs/dbraw/zinc/61/08/33/583610833.db2.gz MVDNQUSAXGADJU-GFCCVEGCSA-N 1 0 240.347 2.069 20 30 BEEDRO CCC(CC)(CC)C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162867 583610926 /nfs/dbraw/zinc/61/09/26/583610926.db2.gz OMXRYTHYMXMRRW-LLVKDONJSA-N 1 0 242.363 2.173 20 30 BEEDRO CC(C)CC[C@@H]1CCCC1N=NC(N)=[NH2+] ZINC000727252052 583625290 /nfs/dbraw/zinc/62/52/90/583625290.db2.gz OTUYWIQPWHAAPZ-VIFPVBQESA-N 1 0 210.325 2.062 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000895209657 583626015 /nfs/dbraw/zinc/62/60/15/583626015.db2.gz XNNVIWFHSJYZEV-LBPRGKRZSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC(C)=NO2)C1 ZINC000895300615 583642290 /nfs/dbraw/zinc/64/22/90/583642290.db2.gz OQYAZBDXIPIGTH-FRRDWIJNSA-N 1 0 222.332 2.486 20 30 BEEDRO C=CCN[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000795003333 583647714 /nfs/dbraw/zinc/64/77/14/583647714.db2.gz IWMIAORDWRNUTQ-UHFFFAOYSA-N 1 0 229.327 2.179 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2cncn2CC)c1 ZINC000841886319 583654339 /nfs/dbraw/zinc/65/43/39/583654339.db2.gz MGYUVVOYBIVTCR-UHFFFAOYSA-N 1 0 239.322 2.174 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2Cc3ccncc3C2)C1 ZINC000857879492 588919533 /nfs/dbraw/zinc/91/95/33/588919533.db2.gz GFCZFTXEQKESKC-GWCFXTLKSA-N 1 0 213.284 2.089 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000895385000 583663546 /nfs/dbraw/zinc/66/35/46/583663546.db2.gz XLNRXMDWPSEAGU-DZGCQCFKSA-N 1 0 247.382 2.439 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2[nH]nc(C)c2C)C1 ZINC000895390075 583664182 /nfs/dbraw/zinc/66/41/82/583664182.db2.gz REQKZBBQJKEKCI-LBPRGKRZSA-N 1 0 219.332 2.425 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CSC2)C1 ZINC000895422203 583673441 /nfs/dbraw/zinc/67/34/41/583673441.db2.gz VMKUXMIMRYNCJY-GXSJLCMTSA-N 1 0 210.346 2.021 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000895490835 583680665 /nfs/dbraw/zinc/68/06/65/583680665.db2.gz TXYWYKISKOYLCX-JQWIXIFHSA-N 1 0 245.313 2.174 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895573161 583692765 /nfs/dbraw/zinc/69/27/65/583692765.db2.gz NRPKEHDSUHCDQY-AWEZNQCLSA-N 1 0 217.287 2.459 20 30 BEEDRO C#CCOc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895573967 583693320 /nfs/dbraw/zinc/69/33/20/583693320.db2.gz TZOGCLJHNMOSSK-CQSZACIVSA-N 1 0 247.313 2.490 20 30 BEEDRO CC(C)CC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000895585330 583694482 /nfs/dbraw/zinc/69/44/82/583694482.db2.gz PSFHNQLTCKTQRF-INIZCTEOSA-N 1 0 245.366 2.425 20 30 BEEDRO C#CC1([NH2+]Cc2cc(C(=O)OC)co2)CCCC1 ZINC000895675430 583704079 /nfs/dbraw/zinc/70/40/79/583704079.db2.gz OXPPKDWDTIDVKU-UHFFFAOYSA-N 1 0 247.294 2.102 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000895674850 583704300 /nfs/dbraw/zinc/70/43/00/583704300.db2.gz GPHRZAAPGUSOCD-UHFFFAOYSA-N 1 0 249.379 2.407 20 30 BEEDRO C#CC1([NH2+]CC2(COC)CCC2)CCCC1 ZINC000895677111 583704747 /nfs/dbraw/zinc/70/47/47/583704747.db2.gz HTKOKXGNTMWHQE-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1(O)CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000895669606 583706256 /nfs/dbraw/zinc/70/62/56/583706256.db2.gz HMOIYEWBDPYYDR-CQSZACIVSA-N 1 0 233.355 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CSCCC ZINC000895672849 583707044 /nfs/dbraw/zinc/70/70/44/583707044.db2.gz XZBCDYNJLFSXOS-NEPJUHHUSA-N 1 0 229.389 2.146 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1CCC2(COC2)CC1 ZINC000895695022 583708395 /nfs/dbraw/zinc/70/83/95/583708395.db2.gz PVJUOXIZQVZZDO-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000895712589 583710663 /nfs/dbraw/zinc/71/06/63/583710663.db2.gz AHJNQMSKWLQKLU-KOLCDFICSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1nc(Cl)cs1 ZINC000895713001 583710793 /nfs/dbraw/zinc/71/07/93/583710793.db2.gz GGPXPUBIUJWBLI-QMMMGPOBSA-N 1 0 246.763 2.213 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000895713539 583711478 /nfs/dbraw/zinc/71/14/78/583711478.db2.gz QGTMQAICIOFWAH-RKDXNWHRSA-N 1 0 238.158 2.097 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CC=C(C)CC2)C1 ZINC000895748981 583717019 /nfs/dbraw/zinc/71/70/19/583717019.db2.gz UHAXTFCDVVBILV-LSDHHAIUSA-N 1 0 232.371 2.172 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(OC)OC ZINC000895792659 583728815 /nfs/dbraw/zinc/72/88/15/583728815.db2.gz XTRDQSNRHIPGMW-GHMZBOCLSA-N 1 0 215.337 2.328 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2c1cccc2F ZINC000147753370 583734227 /nfs/dbraw/zinc/73/42/27/583734227.db2.gz GQRNATQLTSMVHB-ZDUSSCGKSA-N 1 0 203.260 2.426 20 30 BEEDRO C[N@H+](CCCF)Cc1cc(C#N)cs1 ZINC000895897584 583740955 /nfs/dbraw/zinc/74/09/55/583740955.db2.gz CMQMAFWJGLZDES-UHFFFAOYSA-N 1 0 212.293 2.411 20 30 BEEDRO COCC1C[NH+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000895975536 583753157 /nfs/dbraw/zinc/75/31/57/583753157.db2.gz ALUPPJDRYSTHPF-UHFFFAOYSA-N 1 0 244.338 2.253 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)OC1 ZINC000883249799 583764592 /nfs/dbraw/zinc/76/45/92/583764592.db2.gz QXFRIIJGHAWIHW-RWMBFGLXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cccnc1 ZINC000883390820 583790598 /nfs/dbraw/zinc/79/05/98/583790598.db2.gz VNNOFYNMJBUYCA-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896411453 583800379 /nfs/dbraw/zinc/80/03/79/583800379.db2.gz NZYDDUUEJCAIMP-UHTWSYAYSA-N 1 0 222.332 2.083 20 30 BEEDRO COC1CCC(C[N@@H+]2CCC[C@@H](C#N)C2)CC1 ZINC000896500454 583807101 /nfs/dbraw/zinc/80/71/01/583807101.db2.gz FFSVAJFSXYVUJS-MOKVOYLWSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858034382 588931027 /nfs/dbraw/zinc/93/10/27/588931027.db2.gz ZZAPNCLGRJXZQD-ZDUSSCGKSA-N 1 0 232.327 2.419 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000896556156 583811708 /nfs/dbraw/zinc/81/17/08/583811708.db2.gz SQIDIRZFSCZWIC-KGLIPLIRSA-N 1 0 222.376 2.252 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000896611300 583817378 /nfs/dbraw/zinc/81/73/78/583817378.db2.gz WTXTXQFPDLDTST-MNOVXSKESA-N 1 0 212.337 2.329 20 30 BEEDRO CO[C@@]1(C[NH2+]C[C@H](C)CCC#N)CCSC1 ZINC000896576257 583814515 /nfs/dbraw/zinc/81/45/15/583814515.db2.gz YQKUYJWHAJOPME-VXGBXAGGSA-N 1 0 242.388 2.038 20 30 BEEDRO CO[C@@]1(C[NH2+]C[C@@H](C)CCC#N)CCSC1 ZINC000896576252 583814846 /nfs/dbraw/zinc/81/48/46/583814846.db2.gz YQKUYJWHAJOPME-NWDGAFQWSA-N 1 0 242.388 2.038 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000896611294 583817356 /nfs/dbraw/zinc/81/73/56/583817356.db2.gz WTXTXQFPDLDTST-GHMZBOCLSA-N 1 0 212.337 2.329 20 30 BEEDRO CCc1cc(NCc2nc(C#N)cs2)cc[nH+]1 ZINC000896931356 583860343 /nfs/dbraw/zinc/86/03/43/583860343.db2.gz XHFSWJKELCWHGK-UHFFFAOYSA-N 1 0 244.323 2.006 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc(C)c1O ZINC000897167686 583887060 /nfs/dbraw/zinc/88/70/60/583887060.db2.gz PDFDDQOZWRISEO-UHFFFAOYSA-N 1 0 203.285 2.156 20 30 BEEDRO C#CCN(Cc1ccc(OC)o1)C(C)C ZINC000897171102 583889324 /nfs/dbraw/zinc/88/93/24/583889324.db2.gz QFVSXKHUHQMYBI-UHFFFAOYSA-N 1 0 207.273 2.132 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2C[C@@H](OC)C2)cc1 ZINC000858330857 588945973 /nfs/dbraw/zinc/94/59/73/588945973.db2.gz ITVOMIJEQOVTQN-GASCZTMLSA-N 1 0 229.323 2.183 20 30 BEEDRO CC1(C)CC[N@H+](CCNc2cccnc2C#N)C1 ZINC000897249170 583902138 /nfs/dbraw/zinc/90/21/38/583902138.db2.gz OGVWNULITCUPDW-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1(C)CC[N@H+](CCNc2cnccc2C#N)C1 ZINC000897248373 583902506 /nfs/dbraw/zinc/90/25/06/583902506.db2.gz ORKVVUWDTKTILA-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccsc1 ZINC000858331918 588946011 /nfs/dbraw/zinc/94/60/11/588946011.db2.gz KWNYIYUKYGSCDQ-LBPRGKRZSA-N 1 0 223.341 2.266 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H]1CC=CCC1 ZINC000858332070 588946053 /nfs/dbraw/zinc/94/60/53/588946053.db2.gz MPOUHMRYQPTTCO-ZIAGYGMSSA-N 1 0 221.344 2.361 20 30 BEEDRO C#CCC1([NH2+]Cc2nccn2C2CC2)CCC1 ZINC000897350441 583928761 /nfs/dbraw/zinc/92/87/61/583928761.db2.gz BLPICYPLSJQILL-UHFFFAOYSA-N 1 0 229.327 2.254 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCC=CO2)CCC1 ZINC000897350485 583928769 /nfs/dbraw/zinc/92/87/69/583928769.db2.gz DSXJPVUWXFYRAL-LBPRGKRZSA-N 1 0 205.301 2.215 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnc(OC)c2F)CCC1 ZINC000897350932 583929308 /nfs/dbraw/zinc/92/93/08/583929308.db2.gz PVZVAHVJFZDSNN-UHFFFAOYSA-N 1 0 248.301 2.265 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000840729073 583940513 /nfs/dbraw/zinc/94/05/13/583940513.db2.gz RWHYQPYJQIKCCD-GFCCVEGCSA-N 1 0 232.327 2.024 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862548401 583963673 /nfs/dbraw/zinc/96/36/73/583963673.db2.gz FFRXMGPPPNSQSO-ZYHUDNBSSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)Cc1ccoc1 ZINC000862548197 583963686 /nfs/dbraw/zinc/96/36/86/583963686.db2.gz AGGYEJUJTKGXHP-TZMCWYRMSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(Cl)o1 ZINC000858332114 588945865 /nfs/dbraw/zinc/94/58/65/588945865.db2.gz NYBJGWDYVAMUGV-JTQLQIEISA-N 1 0 241.718 2.451 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCOc1ccccc1 ZINC000052092327 583975644 /nfs/dbraw/zinc/97/56/44/583975644.db2.gz LDJYFIJHOMEPSM-LBPRGKRZSA-N 1 0 218.300 2.347 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000858334614 588946489 /nfs/dbraw/zinc/94/64/89/588946489.db2.gz CIMGBNPZBDBKBX-CYBMUJFWSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000858334615 588946557 /nfs/dbraw/zinc/94/65/57/588946557.db2.gz CIMGBNPZBDBKBX-ZDUSSCGKSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)c(C)cc1O ZINC000858335268 588946876 /nfs/dbraw/zinc/94/68/76/588946876.db2.gz RALMVXUHUKBQOX-CQSZACIVSA-N 1 0 247.338 2.137 20 30 BEEDRO CN(C)c1ccc(C=[NH+]N[C@H]2CCSC2)cc1 ZINC000808002913 583991495 /nfs/dbraw/zinc/99/14/95/583991495.db2.gz QWHZSEQFWXVRGW-LBPRGKRZSA-N 1 0 249.383 2.182 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1OC ZINC000858335053 588947206 /nfs/dbraw/zinc/94/72/06/588947206.db2.gz UXUCZKFAEMSNHR-AWEZNQCLSA-N 1 0 247.338 2.132 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528689 584006307 /nfs/dbraw/zinc/00/63/07/584006307.db2.gz PAAICHCRFOXTSV-GFCCVEGCSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000729682559 584022684 /nfs/dbraw/zinc/02/26/84/584022684.db2.gz VDOPEHVIAPBJAF-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000897813690 584047291 /nfs/dbraw/zinc/04/72/91/584047291.db2.gz MFTOLMRBGBWVST-UQAQGZBZSA-N 1 0 233.355 2.497 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000897814391 584047294 /nfs/dbraw/zinc/04/72/94/584047294.db2.gz RRXFJXLQOGSWKO-UCXPEUNHSA-N 1 0 246.354 2.224 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897810070 584050637 /nfs/dbraw/zinc/05/06/37/584050637.db2.gz NMNXGRAKMJKPDC-FQIARQCESA-N 1 0 234.343 2.080 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H]32)C1 ZINC000897960081 584067955 /nfs/dbraw/zinc/06/79/55/584067955.db2.gz YQWFYUSDFZKRDJ-NAWOPXAZSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898044789 584073283 /nfs/dbraw/zinc/07/32/83/584073283.db2.gz CHAJUKODSNQCII-GHMZBOCLSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1OC ZINC000898029652 584077455 /nfs/dbraw/zinc/07/74/55/584077455.db2.gz YUIQPTVZNIBIKZ-WDEREUQCSA-N 1 0 237.347 2.119 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000898036323 584078843 /nfs/dbraw/zinc/07/88/43/584078843.db2.gz CAODAKGZCZXEPL-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnn(CC)n1 ZINC000858444320 588955292 /nfs/dbraw/zinc/95/52/92/588955292.db2.gz VDOBREKNNORRAQ-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C(C)(C)O)C1 ZINC000898120051 584084179 /nfs/dbraw/zinc/08/41/79/584084179.db2.gz NIDYGKMYRMYOSS-SDDRHHMPSA-N 1 0 211.349 2.480 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(CCO)cc2)C1 ZINC000898170459 584088875 /nfs/dbraw/zinc/08/88/75/584088875.db2.gz GWBHRFRCPVNRLL-LSDHHAIUSA-N 1 0 244.338 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)C2CC2)C1 ZINC000898200614 584099272 /nfs/dbraw/zinc/09/92/72/584099272.db2.gz ZGFHZHRWVDAJRO-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000898271364 584104520 /nfs/dbraw/zinc/10/45/20/584104520.db2.gz YBNNFOUUMYJEAQ-RYUDHWBXSA-N 1 0 249.358 2.104 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898376895 584114059 /nfs/dbraw/zinc/11/40/59/584114059.db2.gz PNFBMCUDLVAATH-RTXFEEFZSA-N 1 0 236.359 2.329 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2COC[C@@H]2C2CC2)CC1 ZINC000898381045 584115494 /nfs/dbraw/zinc/11/54/94/584115494.db2.gz XXEJSFBHPMIUQD-CCAROEGRSA-N 1 0 234.343 2.083 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC000898380904 584115591 /nfs/dbraw/zinc/11/55/91/584115591.db2.gz ACLOBTZVABTKQC-JKSUJKDBSA-N 1 0 241.334 2.183 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CC=C(C(=O)OC)C1 ZINC000858472133 588958569 /nfs/dbraw/zinc/95/85/69/588958569.db2.gz GTFFACXTGGSHQN-ZYHUDNBSSA-N 1 0 223.316 2.193 20 30 BEEDRO C=CC(C)(C)[NH2+]CCC(C)(C)C(=O)OC ZINC000898460087 584137223 /nfs/dbraw/zinc/13/72/23/584137223.db2.gz BRRXOGJRNGHWTK-UHFFFAOYSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000898459992 584137315 /nfs/dbraw/zinc/13/73/15/584137315.db2.gz ANCMECGKOLLWCW-MRVPVSSYSA-N 1 0 226.345 2.251 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000898460820 584137959 /nfs/dbraw/zinc/13/79/59/584137959.db2.gz TYIBZAHGGJJCKY-UHFFFAOYSA-N 1 0 236.315 2.164 20 30 BEEDRO C=CC(C)(C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000898461085 584138150 /nfs/dbraw/zinc/13/81/50/584138150.db2.gz ZOBAKHZBQRCQBK-UHFFFAOYSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1nccn1C1CC1 ZINC000898461678 584138719 /nfs/dbraw/zinc/13/87/19/584138719.db2.gz GONQDUWDHPINTP-UHFFFAOYSA-N 1 0 205.305 2.272 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn2ccnc2s1 ZINC000898461713 584138898 /nfs/dbraw/zinc/13/88/98/584138898.db2.gz IHYRKWPFHHEPMK-UHFFFAOYSA-N 1 0 221.329 2.450 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898609843 584146640 /nfs/dbraw/zinc/14/66/40/584146640.db2.gz PWJPWBCVFZZKBG-UHFFFAOYSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H]1CCCCN1c1cc[nH+]c(CO)c1 ZINC000858518348 588962460 /nfs/dbraw/zinc/96/24/60/588962460.db2.gz PLTPTWYGBNPVQA-LBPRGKRZSA-N 1 0 218.300 2.119 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N[C@@H](C)C1CC1)c1ccccc1 ZINC000899272725 584192156 /nfs/dbraw/zinc/19/21/56/584192156.db2.gz NXFWZFNDWNNCBF-SMDDNHRTSA-N 1 0 241.338 2.273 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)OC ZINC000858579629 588968852 /nfs/dbraw/zinc/96/88/52/588968852.db2.gz HEBAJPYMCRZKMY-NEPJUHHUSA-N 1 0 242.363 2.119 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC[C@@H]1CC ZINC000899908053 584251731 /nfs/dbraw/zinc/25/17/31/584251731.db2.gz RMNGOTHALPARAA-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC000899933437 584257411 /nfs/dbraw/zinc/25/74/11/584257411.db2.gz NNADOYPQNXVQSN-UHFFFAOYSA-N 1 0 243.310 2.005 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000899938160 584258991 /nfs/dbraw/zinc/25/89/91/584258991.db2.gz VTUYZPHQVSAEQL-DGCLKSJQSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCc1cccc(C)c1 ZINC000900104542 584271443 /nfs/dbraw/zinc/27/14/43/584271443.db2.gz PKZAFGZUDXNYBW-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCC(C)(C)C ZINC000900181703 584283143 /nfs/dbraw/zinc/28/31/43/584283143.db2.gz OMGBYODKIOGUBB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)CCC ZINC000900445361 584315647 /nfs/dbraw/zinc/31/56/47/584315647.db2.gz IDKWSECOPSSSHV-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900742534 584348047 /nfs/dbraw/zinc/34/80/47/584348047.db2.gz ROJAFKNARVMIOF-XQQFMLRXSA-N 1 0 236.359 2.084 20 30 BEEDRO CC(=NN[C@@H]1CCCCC1(C)C)c1c[nH]c(N)[nH+]1 ZINC000901231901 584404058 /nfs/dbraw/zinc/40/40/58/584404058.db2.gz QJOCBVZLCQLIGM-LLVKDONJSA-N 1 0 249.362 2.274 20 30 BEEDRO CC(=NOC1CCCCC1)c1c[nH]c(N)[nH+]1 ZINC000901222774 584411171 /nfs/dbraw/zinc/41/11/71/584411171.db2.gz SFFXPILLIFWKQP-UHFFFAOYSA-N 1 0 222.292 2.065 20 30 BEEDRO CCN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000901282534 584415124 /nfs/dbraw/zinc/41/51/24/584415124.db2.gz KDMDBFJRDDMVSF-VIFPVBQESA-N 1 0 215.300 2.303 20 30 BEEDRO CCN[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000901282407 584415200 /nfs/dbraw/zinc/41/52/00/584415200.db2.gz IEUMSWMZIRRQFV-UHFFFAOYSA-N 1 0 205.305 2.219 20 30 BEEDRO CCN[NH+]=C1CCCNc2ccccc21 ZINC000901281766 584415352 /nfs/dbraw/zinc/41/53/52/584415352.db2.gz XFOBAIQJWSDBOD-UHFFFAOYSA-N 1 0 203.289 2.206 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CC[C@H]1CC ZINC000901303214 584419286 /nfs/dbraw/zinc/41/92/86/584419286.db2.gz MZUJCPHSJQVWCJ-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC000901315532 584428680 /nfs/dbraw/zinc/42/86/80/584428680.db2.gz VTGQNUZSAAPFES-GXTWGEPZSA-N 1 0 248.370 2.180 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000901318242 584429498 /nfs/dbraw/zinc/42/94/98/584429498.db2.gz RPNSVIHHRBNONA-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO CC1(C)CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)O1 ZINC000901682483 584480860 /nfs/dbraw/zinc/48/08/60/584480860.db2.gz DSRGPKSJCIYYIS-CHWSQXEVSA-N 1 0 249.358 2.367 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccccc1NC ZINC000902466215 584613844 /nfs/dbraw/zinc/61/38/44/584613844.db2.gz KBDZWPNKLHJOGC-UHFFFAOYSA-N 1 0 220.316 2.021 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccccc1NCC ZINC000902481399 584624287 /nfs/dbraw/zinc/62/42/87/584624287.db2.gz CITBGWSTODEMLF-ZDUSSCGKSA-N 1 0 234.343 2.145 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn(CC)cn1 ZINC000902538360 584628294 /nfs/dbraw/zinc/62/82/94/584628294.db2.gz PWKPBPRREKBPFO-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)ccc1NC ZINC000902586366 584639881 /nfs/dbraw/zinc/63/98/81/584639881.db2.gz XDKITROTUTWGHZ-AWEZNQCLSA-N 1 0 248.370 2.453 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@@H](C)[C@@H](C)C1=O ZINC000902668723 584654065 /nfs/dbraw/zinc/65/40/65/584654065.db2.gz FFCJYVPBLRVHBR-CHWSQXEVSA-N 1 0 238.375 2.346 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CC(C)(C)CC1=O ZINC000902669631 584654326 /nfs/dbraw/zinc/65/43/26/584654326.db2.gz OKFJAMZKUHOYPA-UHFFFAOYSA-N 1 0 238.375 2.491 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCO)[C@@]1(C)CCCCO1 ZINC000902720187 584659276 /nfs/dbraw/zinc/65/92/76/584659276.db2.gz FPBLFHYZKLVQPC-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO CC(C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720404 584659610 /nfs/dbraw/zinc/65/96/10/584659610.db2.gz HYVSWBBTTKZGOS-JTQLQIEISA-N 1 0 203.289 2.260 20 30 BEEDRO CCO[C@@H](C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000859105650 589002947 /nfs/dbraw/zinc/00/29/47/589002947.db2.gz OJLINRKTLXXAQB-ZDUSSCGKSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720548 584660070 /nfs/dbraw/zinc/66/00/70/584660070.db2.gz KZTJVPYGEWHZEL-ZJUUUORDSA-N 1 0 203.289 2.402 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H]1CCCO1)c1cc(C#N)ccn1 ZINC000902738671 584663349 /nfs/dbraw/zinc/66/33/49/584663349.db2.gz FRXVGSCLEIJXRL-DGCLKSJQSA-N 1 0 245.326 2.173 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902778908 584669656 /nfs/dbraw/zinc/66/96/56/584669656.db2.gz JAVZLBJMNBBAPE-LLVKDONJSA-N 1 0 247.342 2.155 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902820623 584675736 /nfs/dbraw/zinc/67/57/36/584675736.db2.gz CYNOVKQMXMLRNI-LLVKDONJSA-N 1 0 213.284 2.017 20 30 BEEDRO COC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902819514 584675743 /nfs/dbraw/zinc/67/57/43/584675743.db2.gz VKQQDXVSYXOHPI-RISCZKNCSA-N 1 0 247.342 2.275 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902822420 584676366 /nfs/dbraw/zinc/67/63/66/584676366.db2.gz WYZWSCJIDJKSPX-WCQYABFASA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C[C@H](C)O ZINC000902813752 584678188 /nfs/dbraw/zinc/67/81/88/584678188.db2.gz GRYRCNVSXPDFGW-GRYCIOLGSA-N 1 0 247.342 2.011 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902868017 584683156 /nfs/dbraw/zinc/68/31/56/584683156.db2.gz IMAUKZHEHPUMMD-BBMNEWJDSA-N 1 0 221.344 2.354 20 30 BEEDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902872738 584684149 /nfs/dbraw/zinc/68/41/49/584684149.db2.gz NAFPUUMJJQZQDE-WCQYABFASA-N 1 0 247.342 2.155 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902878662 584687024 /nfs/dbraw/zinc/68/70/24/584687024.db2.gz IUIDTAJVBCVAQC-GFCCVEGCSA-N 1 0 245.326 2.197 20 30 BEEDRO COC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000902886892 584688985 /nfs/dbraw/zinc/68/89/85/584688985.db2.gz VSBDPRWHJRVQQN-YGRLFVJLSA-N 1 0 245.326 2.029 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000902894108 584690660 /nfs/dbraw/zinc/69/06/60/584690660.db2.gz HZRLZROKNGRSIO-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@H]([NH2+]CC[C@@H]1CCOC1)c1cc(C#N)ccn1 ZINC000902951976 584704425 /nfs/dbraw/zinc/70/44/25/584704425.db2.gz RTGZBQACMRQPBB-NWDGAFQWSA-N 1 0 245.326 2.030 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902962539 584706827 /nfs/dbraw/zinc/70/68/27/584706827.db2.gz GJVNNSVMJLDETF-QWRGUYRKSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cc(C#N)ccn1 ZINC000902987584 584708914 /nfs/dbraw/zinc/70/89/14/584708914.db2.gz OUUBWYPUGSAHRZ-NRUUGDAUSA-N 1 0 247.367 2.355 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cc(C#N)ccn1 ZINC000902972851 584712970 /nfs/dbraw/zinc/71/29/70/584712970.db2.gz JPPMFUAYVQNVOP-MDZLAQPJSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903006576 584717093 /nfs/dbraw/zinc/71/70/93/584717093.db2.gz KYJCMWLHEJQKGL-VXGBXAGGSA-N 1 0 247.342 2.155 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000903008552 584717368 /nfs/dbraw/zinc/71/73/68/584717368.db2.gz QWSQWPWSBPWYCX-OXHZDVMGSA-N 1 0 221.344 2.498 20 30 BEEDRO COC[C@@H]([NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000903033320 584718549 /nfs/dbraw/zinc/71/85/49/584718549.db2.gz SRXAMTHLPNBDDN-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cc(C#N)ccn1 ZINC000903026093 584721424 /nfs/dbraw/zinc/72/14/24/584721424.db2.gz MCJRKJCHVNFQRR-GMXVVIOVSA-N 1 0 240.310 2.296 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C#N)c1 ZINC000903026688 584721430 /nfs/dbraw/zinc/72/14/30/584721430.db2.gz RXFAQTUKEKJQSF-MGPQQGTHSA-N 1 0 230.311 2.122 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)C1 ZINC000903026866 584721484 /nfs/dbraw/zinc/72/14/84/584721484.db2.gz VHFVWAXQSHCYMZ-SRGUQECISA-N 1 0 246.354 2.082 20 30 BEEDRO CCc1cnccc1[C@@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000801940310 584721750 /nfs/dbraw/zinc/72/17/50/584721750.db2.gz ZTJKKYSPYUAEKW-NWDGAFQWSA-N 1 0 247.342 2.223 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903048001 584723581 /nfs/dbraw/zinc/72/35/81/584723581.db2.gz GQUHJXFBVRVAGI-SNVBAGLBSA-N 1 0 201.273 2.180 20 30 BEEDRO CC[C@@H]([NH2+]C/C=C/CO)c1cccc(C#N)c1 ZINC000903048659 584723830 /nfs/dbraw/zinc/72/38/30/584723830.db2.gz QTMWMXODCYDGTQ-RDFMZFSFSA-N 1 0 230.311 2.147 20 30 BEEDRO CC[C@@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903051327 584724140 /nfs/dbraw/zinc/72/41/40/584724140.db2.gz IVURBZNBGCQHMW-ZIAGYGMSSA-N 1 0 232.327 2.370 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903078797 584724563 /nfs/dbraw/zinc/72/45/63/584724563.db2.gz XUTWDKTVHOYHKF-DLOVCJGASA-N 1 0 247.367 2.498 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(C#N)ccn1 ZINC000903078011 584724617 /nfs/dbraw/zinc/72/46/17/584724617.db2.gz UADRYZBMEWWNFE-PUHVVEEASA-N 1 0 245.326 2.170 20 30 BEEDRO COC(C)(C)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903080013 584724625 /nfs/dbraw/zinc/72/46/25/584724625.db2.gz HNMWPDAVWMESIW-LLVKDONJSA-N 1 0 247.342 2.419 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000903086204 584725325 /nfs/dbraw/zinc/72/53/25/584725325.db2.gz DCFZTLVDNKKVMF-RAIGVLPGSA-N 1 0 245.326 2.029 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cccc(C#N)c1 ZINC000903088053 584725340 /nfs/dbraw/zinc/72/53/40/584725340.db2.gz PDQZYGUOZVXMFY-BPLDGKMQSA-N 1 0 244.338 2.370 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903070707 584726215 /nfs/dbraw/zinc/72/62/15/584726215.db2.gz DCFZTLVDNKKVMF-WCFLWFBJSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000903100594 584727264 /nfs/dbraw/zinc/72/72/64/584727264.db2.gz UKFYTUDTPLKFGK-SNVBAGLBSA-N 1 0 240.347 2.246 20 30 BEEDRO COC1([C@H](C)[NH2+]CC2(C#N)CC2)CCCC1 ZINC000903105886 584728238 /nfs/dbraw/zinc/72/82/38/584728238.db2.gz IIOWYEIRJSRBMB-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)C1 ZINC000903093884 584729212 /nfs/dbraw/zinc/72/92/12/584729212.db2.gz LFZJSAYHFUYIIJ-QKPAOTATSA-N 1 0 246.398 2.252 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903094656 584729361 /nfs/dbraw/zinc/72/93/61/584729361.db2.gz OYLFNJWWTVZTNT-SGMGOOAPSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903094657 584729373 /nfs/dbraw/zinc/72/93/73/584729373.db2.gz OYLFNJWWTVZTNT-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903126780 584729694 /nfs/dbraw/zinc/72/96/94/584729694.db2.gz SXXVIYQYJJAQLD-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC23CCCC3)C1 ZINC000903193467 584734103 /nfs/dbraw/zinc/73/41/03/584734103.db2.gz WZVMVZONFBVZMN-AGIUHOORSA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903219638 584737774 /nfs/dbraw/zinc/73/77/74/584737774.db2.gz RNVDUBUXPDFYOU-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903218450 584737808 /nfs/dbraw/zinc/73/78/08/584737808.db2.gz LYROZVJQWSBMMT-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCN1C ZINC000903315820 584749035 /nfs/dbraw/zinc/74/90/35/584749035.db2.gz JVNRSGARCDGVJN-RDBSUJKOSA-N 1 0 222.376 2.415 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1cccc(C#N)c1 ZINC000903315904 584749546 /nfs/dbraw/zinc/74/95/46/584749546.db2.gz KZYQSHZHILYNKU-LSDHHAIUSA-N 1 0 243.354 2.303 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(C#N)cc1 ZINC000903316604 584750120 /nfs/dbraw/zinc/75/01/20/584750120.db2.gz GEUUSCLNQBNOJB-HUUCEWRRSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCN1C ZINC000903317033 584750302 /nfs/dbraw/zinc/75/03/02/584750302.db2.gz IFTADSJHYYGTDL-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CC)CN1CCOCC1 ZINC000903344096 584752832 /nfs/dbraw/zinc/75/28/32/584752832.db2.gz UJFNEUKGGNZGIE-UONOGXRCSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(CC)C1=O ZINC000903392745 584756026 /nfs/dbraw/zinc/75/60/26/584756026.db2.gz YITBQMQFOSAAGG-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000903393878 584756724 /nfs/dbraw/zinc/75/67/24/584756724.db2.gz VFWMFUNCNNTKBH-CQLXCSJHSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C#N)c1 ZINC000903405534 584758308 /nfs/dbraw/zinc/75/83/08/584758308.db2.gz CUKGSCFDWRPZKY-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C[NH2+][C@H]1CCCN(CC2CCC(C#N)CC2)C1 ZINC000903423065 584764326 /nfs/dbraw/zinc/76/43/26/584764326.db2.gz OZVFEVLRGSBMEA-RUXDESIVSA-N 1 0 235.375 2.000 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903424746 584765396 /nfs/dbraw/zinc/76/53/96/584765396.db2.gz DRTYBGPMTULKIJ-PPWQZUPISA-N 1 0 249.402 2.376 20 30 BEEDRO C[NH2+]CCCN(C)Cc1c(C)cc(C#N)cc1C ZINC000903459634 584766038 /nfs/dbraw/zinc/76/60/38/584766038.db2.gz MQOCLBYIQXRWLJ-UHFFFAOYSA-N 1 0 245.370 2.216 20 30 BEEDRO CC(C)[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCN1 ZINC000903450430 584772020 /nfs/dbraw/zinc/77/20/20/584772020.db2.gz VHIFYXWMIDWTOP-YMAMQOFZSA-N 1 0 249.402 2.246 20 30 BEEDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1cc(Cl)cc(C#N)c1 ZINC000903476879 584777450 /nfs/dbraw/zinc/77/74/50/584777450.db2.gz MTPYNVXVHXTENJ-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO N#CC1(CCCCN2CCC[C@@H]2C[NH3+])CCC1 ZINC000903717767 584792277 /nfs/dbraw/zinc/79/22/77/584792277.db2.gz WCLXXFUXTHVVAY-CYBMUJFWSA-N 1 0 235.375 2.274 20 30 BEEDRO C[C@@H]1CN(CCCCC2(C#N)CCC2)CC[NH2+]1 ZINC000903715852 584794317 /nfs/dbraw/zinc/79/43/17/584794317.db2.gz ARMCNARZMCYOMH-CYBMUJFWSA-N 1 0 235.375 2.144 20 30 BEEDRO CN(Cc1cc(C#N)cs1)C[C@@H]1CCC[NH2+]C1 ZINC000903825601 584804648 /nfs/dbraw/zinc/80/46/48/584804648.db2.gz ARAAPCGQGITTRX-LLVKDONJSA-N 1 0 249.383 2.051 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](N)CC(F)F)CCCC1 ZINC000903933273 584824926 /nfs/dbraw/zinc/82/49/26/584824926.db2.gz NRHXFXVLDSGBBH-JTQLQIEISA-N 1 0 232.318 2.447 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000904073801 584839951 /nfs/dbraw/zinc/83/99/51/584839951.db2.gz WKXCEAGAHBHOFA-JTQLQIEISA-N 1 0 235.331 2.291 20 30 BEEDRO CCCCN(O)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000904212550 584854878 /nfs/dbraw/zinc/85/48/78/584854878.db2.gz GVWFVQLQAPCZFM-LBPRGKRZSA-N 1 0 242.363 2.269 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC000876668069 584886650 /nfs/dbraw/zinc/88/66/50/584886650.db2.gz GDNONPJZUMSOEX-NXEZZACHSA-N 1 0 244.766 2.151 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCCC12CC2)C1CCOCC1 ZINC000827555497 584899364 /nfs/dbraw/zinc/89/93/64/584899364.db2.gz VFFCMCUUKIHQLF-ZIAGYGMSSA-N 1 0 233.355 2.337 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000829810420 584907678 /nfs/dbraw/zinc/90/76/78/584907678.db2.gz PTGHOACGUZSRCO-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCN[NH+]=C(C)c1ccc(N(C)CC)cc1 ZINC000835007790 584917679 /nfs/dbraw/zinc/91/76/79/584917679.db2.gz DOXXPGYAXNNTSG-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO CCO[C@@H]1CC(=[NH+]n2cnnc2)C12CCCCC2 ZINC000741450955 584925364 /nfs/dbraw/zinc/92/53/64/584925364.db2.gz HOKCTYQGPNXHNG-GFCCVEGCSA-N 1 0 248.330 2.242 20 30 BEEDRO CC(CCCC[NH+](C)C)=NOC[C@@H]1CCOC1 ZINC000788036501 584927620 /nfs/dbraw/zinc/92/76/20/584927620.db2.gz KLQLLINYCBSGOB-CYBMUJFWSA-N 1 0 242.363 2.147 20 30 BEEDRO C=CC[N@@H+](CCn1nc(C)cc1C)C(C)C ZINC000731664626 584928238 /nfs/dbraw/zinc/92/82/38/584928238.db2.gz QLZGXGVOTUIMLX-UHFFFAOYSA-N 1 0 221.348 2.396 20 30 BEEDRO CCC(Cc1ccc(C)cc1)=[NH+]n1cnnc1 ZINC000731922242 584931493 /nfs/dbraw/zinc/93/14/93/584931493.db2.gz AHESEYCOFMHOST-UHFFFAOYSA-N 1 0 228.299 2.443 20 30 BEEDRO CCC(N)=[NH+]OCCCOc1ccc(C#N)cc1 ZINC000732194123 584934233 /nfs/dbraw/zinc/93/42/33/584934233.db2.gz YSNCCHRQMVBKAE-UHFFFAOYSA-N 1 0 247.298 2.236 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817578887 584987347 /nfs/dbraw/zinc/98/73/47/584987347.db2.gz PTYQAZKLCKVXQU-AWEZNQCLSA-N 1 0 228.339 2.332 20 30 BEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)[C@@H]1CC12CC2 ZINC000817721074 584988484 /nfs/dbraw/zinc/98/84/84/584988484.db2.gz CTJLETWKEHCRRO-OLZOCXBDSA-N 1 0 249.354 2.063 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)C[C@@H](O)C1CC1 ZINC000838865981 585076409 /nfs/dbraw/zinc/07/64/09/585076409.db2.gz UHHOZVYHWLXGIY-CYBMUJFWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)C1CC1 ZINC000838922445 585078461 /nfs/dbraw/zinc/07/84/61/585078461.db2.gz JFVAOFCYXISOCC-CQSZACIVSA-N 1 0 235.327 2.081 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(C)(C)CC(=O)OCC ZINC000838992775 585085069 /nfs/dbraw/zinc/08/50/69/585085069.db2.gz HJOREOSRFCVKRG-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2CC)cc1 ZINC000839192382 585097535 /nfs/dbraw/zinc/09/75/35/585097535.db2.gz PQMMOMLYHZCSLR-CABCVRRESA-N 1 0 229.323 2.325 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(F)nc1 ZINC000839163348 585098069 /nfs/dbraw/zinc/09/80/69/585098069.db2.gz LDACUQJRBYRHEO-UHFFFAOYSA-N 1 0 221.279 2.250 20 30 BEEDRO c1nncn1[NH+]=C1CC[C@@H]2CCCC[C@H]2C1 ZINC000839382212 585102050 /nfs/dbraw/zinc/10/20/50/585102050.db2.gz RRYXPESALTYNIK-QWRGUYRKSA-N 1 0 218.304 2.473 20 30 BEEDRO C=C(C)COC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000741012980 585108965 /nfs/dbraw/zinc/10/89/65/585108965.db2.gz BMDZIFNJGKVRHG-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(Cl)COC(=O)[C@@H](CC)[NH+](CC)CC ZINC000741032980 585109549 /nfs/dbraw/zinc/10/95/49/585109549.db2.gz OIWOSYBSXOAAOT-SNVBAGLBSA-N 1 0 233.739 2.403 20 30 BEEDRO CC(C)OCCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000741054789 585110061 /nfs/dbraw/zinc/11/00/61/585110061.db2.gz WZNGXZOKGLGUID-ZDUSSCGKSA-N 1 0 237.347 2.177 20 30 BEEDRO C[C@@H]1C[C@H](/N=C\c2ccccc2O)CC[N@@H+]1C ZINC000741464288 585114377 /nfs/dbraw/zinc/11/43/77/585114377.db2.gz NMTGZTFFERXBEF-LOWOIUNESA-N 1 0 232.327 2.294 20 30 BEEDRO CCC(CC)NN=C1CC[N@H+](CC)C[C@@H]1C ZINC000741460904 585114511 /nfs/dbraw/zinc/11/45/11/585114511.db2.gz RCWTWKKPGFIVFL-NSHDSACASA-N 1 0 225.380 2.482 20 30 BEEDRO C#CCN(CC#CC)Cc1ccc(OC)c(F)c1 ZINC000743852591 585140882 /nfs/dbraw/zinc/14/08/82/585140882.db2.gz WTGIXBRRNAVEJC-UHFFFAOYSA-N 1 0 245.297 2.293 20 30 BEEDRO C=C(Cl)C[NH2+][C@@]1(C)CCCC[C@H]1C(=O)OC ZINC000839527846 585141940 /nfs/dbraw/zinc/14/19/40/585141940.db2.gz SVHWITKVALUVEP-JQWIXIFHSA-N 1 0 245.750 2.450 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCCO1)C1CCCCC1 ZINC000744212584 585146329 /nfs/dbraw/zinc/14/63/29/585146329.db2.gz RAWZMPICMIZODV-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCOCC1 ZINC000746400912 585167748 /nfs/dbraw/zinc/16/77/48/585167748.db2.gz MXCLUYGHHLSERT-TZMCWYRMSA-N 1 0 249.358 2.225 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)CC2CCC2)C1 ZINC000886661545 585172401 /nfs/dbraw/zinc/17/24/01/585172401.db2.gz WVKAXPZAMKUPIV-ZFWWWQNUSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC[C@@H]2C(C)C)C1 ZINC000886663174 585172422 /nfs/dbraw/zinc/17/24/22/585172422.db2.gz VAKDREARUDVBCI-ZNMIVQPWSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc2cccc(C)n12 ZINC000749111195 585199440 /nfs/dbraw/zinc/19/94/40/585199440.db2.gz XIYZYZAYZDRXJL-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO C=CC[N@H+](Cc1cnc(C)cn1)C(C)C ZINC000749440697 585202384 /nfs/dbraw/zinc/20/23/84/585202384.db2.gz LFOPLKNLLIJEPP-UHFFFAOYSA-N 1 0 205.305 2.181 20 30 BEEDRO C#CCN(CC[NH+](CC)CC)Cc1ccccc1 ZINC000750045268 585209647 /nfs/dbraw/zinc/20/96/47/585209647.db2.gz IGPPGCAQAHECFZ-UHFFFAOYSA-N 1 0 244.382 2.464 20 30 BEEDRO CCC(=[NH+]n1cnnc1)C1CCCCC1 ZINC000750912863 585222023 /nfs/dbraw/zinc/22/20/23/585222023.db2.gz YDKRPQQUMBOILY-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C(C)=C(C)C)CC1 ZINC000751374628 585228229 /nfs/dbraw/zinc/22/82/29/585228229.db2.gz QOZXHFSZKJLGMC-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO CCC1(C)CCC(=[NH+]n2cnnc2)CC1 ZINC000751516332 585231509 /nfs/dbraw/zinc/23/15/09/585231509.db2.gz IIAJJIPPJATOCH-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(Cl)nc1 ZINC000752165288 585243277 /nfs/dbraw/zinc/24/32/77/585243277.db2.gz IEBMEWXAVBENRP-QMMMGPOBSA-N 1 0 238.722 2.084 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000753589646 585262906 /nfs/dbraw/zinc/26/29/06/585262906.db2.gz LJKXOPJRSYIKEU-ZIAGYGMSSA-N 1 0 231.339 2.418 20 30 BEEDRO CC(=CN=NC(N)=[NH2+])Cc1ccc(Cl)cc1 ZINC000753696003 585266236 /nfs/dbraw/zinc/26/62/36/585266236.db2.gz FETLPVBADHCTRF-ZEFKRRHASA-N 1 0 236.706 2.212 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1cccc(OCC)c1 ZINC000753767699 585268294 /nfs/dbraw/zinc/26/82/94/585268294.db2.gz LWHYYVOZBSKOKC-CYBMUJFWSA-N 1 0 247.338 2.386 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000753768916 585268408 /nfs/dbraw/zinc/26/84/08/585268408.db2.gz OJAJRVFQSQUMSS-GFCCVEGCSA-N 1 0 235.302 2.435 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCCCCCO)C1CC1 ZINC000754369613 585283368 /nfs/dbraw/zinc/28/33/68/585283368.db2.gz VPUUZJYXPVJMCU-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CC=[NH+]n1cnnc1)c1ccccc1 ZINC000755462901 585300141 /nfs/dbraw/zinc/30/01/41/585300141.db2.gz FGMOZHYAPWYFJY-LLVKDONJSA-N 1 0 214.272 2.306 20 30 BEEDRO Cc1[nH]cnc1C=NNc1cccc(F)c1 ZINC000755661978 585303802 /nfs/dbraw/zinc/30/38/02/585303802.db2.gz KTJGLUQOYQFXFY-UHFFFAOYSA-N 1 0 218.235 2.303 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)c1ccoc1 ZINC000755891099 585309230 /nfs/dbraw/zinc/30/92/30/585309230.db2.gz VKHCEJSQQJQMEJ-UHFFFAOYSA-N 1 0 235.331 2.079 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ccc(F)cn1 ZINC000755893189 585309454 /nfs/dbraw/zinc/30/94/54/585309454.db2.gz IYZHKDCZIFSPJH-SECBINFHSA-N 1 0 248.305 2.103 20 30 BEEDRO C=CCN(CN1C[C@H](CC)CC1=O)C(C)C ZINC000755911944 585310247 /nfs/dbraw/zinc/31/02/47/585310247.db2.gz GPTVJGYSLVBDMO-GFCCVEGCSA-N 1 0 224.348 2.099 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1CCCCC1 ZINC000756545570 585320936 /nfs/dbraw/zinc/32/09/36/585320936.db2.gz ZBHOZSMLZSURHQ-CQSZACIVSA-N 1 0 249.354 2.208 20 30 BEEDRO C#CC[C@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000839540195 585329861 /nfs/dbraw/zinc/32/98/61/585329861.db2.gz HWMBMJYPKIQRQR-JSGCOSHPSA-N 1 0 217.312 2.112 20 30 BEEDRO C=C(C)CC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000839579129 585330970 /nfs/dbraw/zinc/33/09/70/585330970.db2.gz SUFUHNVWHSGMFY-CYBMUJFWSA-N 1 0 249.358 2.121 20 30 BEEDRO C=C(Cl)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000839588154 585331417 /nfs/dbraw/zinc/33/14/17/585331417.db2.gz LOZYVGFNICNBAH-JTQLQIEISA-N 1 0 217.740 2.222 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000839615068 585332436 /nfs/dbraw/zinc/33/24/36/585332436.db2.gz RZLUZLFMYFOREJ-ZJUUUORDSA-N 1 0 231.723 2.060 20 30 BEEDRO CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCC#N)C1(C)C ZINC000839618849 585332496 /nfs/dbraw/zinc/33/24/96/585332496.db2.gz KHMYTVFZKGCYNU-GHMZBOCLSA-N 1 0 224.348 2.472 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000839655829 585333687 /nfs/dbraw/zinc/33/36/87/585333687.db2.gz IYHVRZZOFPZUFF-VIFPVBQESA-N 1 0 248.164 2.442 20 30 BEEDRO C#CCCC[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000839638650 585334840 /nfs/dbraw/zinc/33/48/40/585334840.db2.gz JHTJEBRSQZDUGL-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000839638647 585335094 /nfs/dbraw/zinc/33/50/94/585335094.db2.gz JHTJEBRSQZDUGL-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO CN1CCN(N=C2CCCCC2(C)C)CC1 ZINC000757561993 585341872 /nfs/dbraw/zinc/34/18/72/585341872.db2.gz SCWPKOJKXWCXIA-UHFFFAOYSA-N 1 0 223.364 2.190 20 30 BEEDRO C[N@@H+]1CCCC(=NO[C@H]2CCCCO2)CC1 ZINC000758116893 585349376 /nfs/dbraw/zinc/34/93/76/585349376.db2.gz CDQDKZAPBZEMGP-LBPRGKRZSA-N 1 0 226.320 2.001 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC000759400179 585372024 /nfs/dbraw/zinc/37/20/24/585372024.db2.gz OQAOODHJHDXQJQ-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C#CCC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000760829282 585398535 /nfs/dbraw/zinc/39/85/35/585398535.db2.gz CFHJQPJJZCYVLN-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000760842749 585399250 /nfs/dbraw/zinc/39/92/50/585399250.db2.gz AKGVXLQUAJCAHC-NEPJUHHUSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1C[C@](C)(OC)C1(C)C ZINC000760842023 585399379 /nfs/dbraw/zinc/39/93/79/585399379.db2.gz UQEZFOLKTOGGPI-AAEUAGOBSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CCCC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760895315 585401225 /nfs/dbraw/zinc/40/12/25/585401225.db2.gz WENRUOVZOVWQOF-UHFFFAOYSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CCC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000760897186 585401239 /nfs/dbraw/zinc/40/12/39/585401239.db2.gz BSTHIUFBYCYHAD-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO C=CCCCCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000805218507 585403695 /nfs/dbraw/zinc/40/36/95/585403695.db2.gz BQFRLDNFLVPWPF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000761107057 585409707 /nfs/dbraw/zinc/40/97/07/585409707.db2.gz CQVNGVNWFNZWGS-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)c1ccc(F)cc1 ZINC000761108324 585409714 /nfs/dbraw/zinc/40/97/14/585409714.db2.gz KPGAZVJXSUPGLU-GFCCVEGCSA-N 1 0 235.302 2.468 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC000761108326 585409935 /nfs/dbraw/zinc/40/99/35/585409935.db2.gz KPGAZVJXSUPGLU-LBPRGKRZSA-N 1 0 235.302 2.468 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cccc(Cl)c1 ZINC000761115553 585410699 /nfs/dbraw/zinc/41/06/99/585410699.db2.gz UCVCAAUHDKQHRJ-UHFFFAOYSA-N 1 0 237.730 2.422 20 30 BEEDRO C(CCC1CCCCC1)=[NH+]n1cnnc1 ZINC000761724170 585418281 /nfs/dbraw/zinc/41/82/81/585418281.db2.gz QEVLPNOJODIUFB-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(F)cc2)C[N@@H+]1C ZINC000761794075 585418689 /nfs/dbraw/zinc/41/86/89/585418689.db2.gz RQNVZQCVVRQSKK-VIFPVBQESA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@H]1CC(=NOCc2ccccc2)C[N@@H+]1C ZINC000761805027 585418875 /nfs/dbraw/zinc/41/88/75/585418875.db2.gz WBSRELFFGRRVRO-NSHDSACASA-N 1 0 218.300 2.283 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccccc2F)C[N@@H+]1C ZINC000761803523 585419011 /nfs/dbraw/zinc/41/90/11/585419011.db2.gz CFIVZYVVKGRCEH-SECBINFHSA-N 1 0 221.279 2.318 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)ccc1C ZINC000763876743 585455948 /nfs/dbraw/zinc/45/59/48/585455948.db2.gz WZHQAVGOOQTZQT-UHFFFAOYSA-N 1 0 232.327 2.360 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCc2ccccc21 ZINC000763875629 585456021 /nfs/dbraw/zinc/45/60/21/585456021.db2.gz PEBYIELSRNLEJQ-UHFFFAOYSA-N 1 0 244.338 2.084 20 30 BEEDRO C#CCCC[N@@H+](CCC)CCN(CC)CC ZINC000763931183 585457466 /nfs/dbraw/zinc/45/74/66/585457466.db2.gz DJFHSSBLBUDSNL-UHFFFAOYSA-N 1 0 224.392 2.454 20 30 BEEDRO C#CC[N@@H+](CCOc1cccc(F)c1)C1CC1 ZINC000763955004 585457893 /nfs/dbraw/zinc/45/78/93/585457893.db2.gz FXZIUEHQYYCCHH-UHFFFAOYSA-N 1 0 233.286 2.302 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000763997934 585458405 /nfs/dbraw/zinc/45/84/05/585458405.db2.gz RFAGDWSOUZZCHI-ZDUSSCGKSA-N 1 0 246.354 2.324 20 30 BEEDRO C#CCC[N@@H+](CC)C[C@H](O)c1ccc(C)cc1 ZINC000764242079 585462724 /nfs/dbraw/zinc/46/27/24/585462724.db2.gz VJTQTDFHMSBOIK-HNNXBMFYSA-N 1 0 231.339 2.374 20 30 BEEDRO C#CCC[N@@H+](CC)C[C@@H](O)c1ccc(C)cc1 ZINC000764242081 585462762 /nfs/dbraw/zinc/46/27/62/585462762.db2.gz VJTQTDFHMSBOIK-OAHLLOKOSA-N 1 0 231.339 2.374 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N([C@H](C)C(C)C)C1CC1 ZINC000764439306 585465765 /nfs/dbraw/zinc/46/57/65/585465765.db2.gz UYAJNZLETXVIAY-GFCCVEGCSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(F)c1C ZINC000764584663 585468309 /nfs/dbraw/zinc/46/83/09/585468309.db2.gz FHKDEKGIKWJWCX-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO CC1(C)CCC(C=[NH+]n2cnnc2)CC1 ZINC000764642425 585469851 /nfs/dbraw/zinc/46/98/51/585469851.db2.gz WTKJHUKDXCQBEM-UHFFFAOYSA-N 1 0 206.293 2.328 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000765004864 585479393 /nfs/dbraw/zinc/47/93/93/585479393.db2.gz BVJCTZJSSFELQX-HNNXBMFYSA-N 1 0 228.339 2.359 20 30 BEEDRO Fc1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765549471 585489746 /nfs/dbraw/zinc/48/97/46/585489746.db2.gz WDGSGERHBSJSSX-ZDUSSCGKSA-N 1 0 233.290 2.462 20 30 BEEDRO N#Cc1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765573737 585490089 /nfs/dbraw/zinc/49/00/89/585490089.db2.gz QJLVMRMFWSZDFY-CQSZACIVSA-N 1 0 240.310 2.194 20 30 BEEDRO CC[C@@H](C(=O)O[C@H](C#N)C(C)C)[NH+](CC)CC ZINC000765967083 585493944 /nfs/dbraw/zinc/49/39/44/585493944.db2.gz OAMRAOXWAVSGAW-NWDGAFQWSA-N 1 0 240.347 2.198 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1ccncc1 ZINC000766020449 585495938 /nfs/dbraw/zinc/49/59/38/585495938.db2.gz PVLGECOCKJIEIP-SNPRPXQTSA-N 1 0 245.370 2.239 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(C)cc1O ZINC000766664001 585504867 /nfs/dbraw/zinc/50/48/67/585504867.db2.gz PWXFALIIYGVSGH-NSHDSACASA-N 1 0 233.311 2.163 20 30 BEEDRO C#CCCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000766905936 585509202 /nfs/dbraw/zinc/50/92/02/585509202.db2.gz NLAKVMYEWZBZMD-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000766895461 585509271 /nfs/dbraw/zinc/50/92/71/585509271.db2.gz KBGXQTVZRXNHQP-CQSZACIVSA-N 1 0 243.354 2.378 20 30 BEEDRO C#CCCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000766896685 585509827 /nfs/dbraw/zinc/50/98/27/585509827.db2.gz RDSQXOPOHSIUAQ-UHFFFAOYSA-N 1 0 248.395 2.279 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000766903207 585510755 /nfs/dbraw/zinc/51/07/55/585510755.db2.gz AQCUGLDPSZFTAC-AWEZNQCLSA-N 1 0 231.343 2.279 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)OCC1(C)C ZINC000766906015 585511028 /nfs/dbraw/zinc/51/10/28/585511028.db2.gz MEDAWVZRHLPUKY-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](COCC)C1 ZINC000766906019 585511032 /nfs/dbraw/zinc/51/10/32/585511032.db2.gz MEVSOBGIAXZAJJ-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCC[NH2+]C1(CC(=O)OC)CCCCC1 ZINC000766919943 585511813 /nfs/dbraw/zinc/51/18/13/585511813.db2.gz DUUIIKQNUCCVEP-UHFFFAOYSA-N 1 0 237.343 2.255 20 30 BEEDRO C#CCCC[N@H+](CC(=O)OC(C)(C)C)C(C)C ZINC000766940987 585512039 /nfs/dbraw/zinc/51/20/39/585512039.db2.gz OYPRZDLEQVCCGX-UHFFFAOYSA-N 1 0 239.359 2.452 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000766933040 585512155 /nfs/dbraw/zinc/51/21/55/585512155.db2.gz UBGKOAAYERKTLD-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC2(CCCC2)C1 ZINC000767117674 585514466 /nfs/dbraw/zinc/51/44/66/585514466.db2.gz HMGLIPGOQXXJAS-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](O)CC(C)C)ccc1C#N ZINC000767695081 585524869 /nfs/dbraw/zinc/52/48/69/585524869.db2.gz ZJMBOEXWUFIVGJ-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO C=CC[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C(C)C ZINC000768547406 585539949 /nfs/dbraw/zinc/53/99/49/585539949.db2.gz LEPUJQWJYCEYFE-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO C#CCOc1ccccc1C[N@H+](CC)CC#C ZINC000769110346 585549043 /nfs/dbraw/zinc/54/90/43/585549043.db2.gz CEXKDGYZPDTBEX-UHFFFAOYSA-N 1 0 227.307 2.154 20 30 BEEDRO C#CCN(Cc1cn[nH]c1)Cc1ccc(F)cc1 ZINC000769145241 585549946 /nfs/dbraw/zinc/54/99/46/585549946.db2.gz FQQWCQBQQREWDJ-UHFFFAOYSA-N 1 0 243.285 2.184 20 30 BEEDRO CC(=[NH+]NCC(F)F)c1ccccc1N(C)C ZINC000769584334 585559947 /nfs/dbraw/zinc/55/99/47/585559947.db2.gz HEVBIJWOBNAXQK-UHFFFAOYSA-N 1 0 241.285 2.331 20 30 BEEDRO C[C@](O)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000769845170 585565112 /nfs/dbraw/zinc/56/51/12/585565112.db2.gz ADSSIVQIFWHHFZ-SNPRPXQTSA-N 1 0 244.338 2.176 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@]1(CO)CCC ZINC000769912151 585566213 /nfs/dbraw/zinc/56/62/13/585566213.db2.gz CEAVUTLZMUUVBW-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000769946369 585566906 /nfs/dbraw/zinc/56/69/06/585566906.db2.gz VNFHWEZDBUVXRD-UONOGXRCSA-N 1 0 225.295 2.340 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000769960634 585567475 /nfs/dbraw/zinc/56/74/75/585567475.db2.gz GADGRKWTIHBLBQ-CYBMUJFWSA-N 1 0 242.322 2.281 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1ccc(C)cc1 ZINC000769975409 585568376 /nfs/dbraw/zinc/56/83/76/585568376.db2.gz FWXRVVZDFRNVMM-ZDUSSCGKSA-N 1 0 217.312 2.327 20 30 BEEDRO CC#CCCCC(=O)OCC[NH+]1CCCCC1 ZINC000770419771 585574153 /nfs/dbraw/zinc/57/41/53/585574153.db2.gz WYKSHOVJVLPIJH-UHFFFAOYSA-N 1 0 237.343 2.209 20 30 BEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C\C1CC1 ZINC000770803416 585581883 /nfs/dbraw/zinc/58/18/83/585581883.db2.gz KSSLZSXXKCIRQF-OEYXZAGESA-N 1 0 249.354 2.230 20 30 BEEDRO OC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)C1CC1 ZINC000771809552 585600600 /nfs/dbraw/zinc/60/06/00/585600600.db2.gz UIJTXIWHJMOCPS-AWEZNQCLSA-N 1 0 249.741 2.052 20 30 BEEDRO OC[C@@H]([NH2+]CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000771810452 585600695 /nfs/dbraw/zinc/60/06/95/585600695.db2.gz ZYEOKIUOXLMDID-CQSZACIVSA-N 1 0 249.741 2.052 20 30 BEEDRO C=CCN([C@@H](C)C(=O)OCCCC)C1CC1 ZINC000772382456 585613570 /nfs/dbraw/zinc/61/35/70/585613570.db2.gz RAQHLILWTNIPPT-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C#C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCCO1 ZINC000859257718 589023812 /nfs/dbraw/zinc/02/38/12/589023812.db2.gz DKHVQTMXPXKPTM-QWHCGFSZSA-N 1 0 221.344 2.193 20 30 BEEDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)cc1C#N ZINC000773084475 585630773 /nfs/dbraw/zinc/63/07/73/585630773.db2.gz SHHUVLDBSSHLMZ-MNOVXSKESA-N 1 0 248.326 2.080 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=N[C@@H]1CCCCC1(C)C ZINC000773126107 585632149 /nfs/dbraw/zinc/63/21/49/585632149.db2.gz TZPGQIYFDTZXIX-WCQYABFASA-N 1 0 237.391 2.482 20 30 BEEDRO CC1=CCC[C@H](C)[C@@H]1C=[NH+]n1cnnc1 ZINC000773181708 585633171 /nfs/dbraw/zinc/63/31/71/585633171.db2.gz WFPUGYVRUAXIQQ-WDEREUQCSA-N 1 0 204.277 2.104 20 30 BEEDRO C=C(Cl)C[NH+]1CCC(C)(COC)CC1 ZINC000773732000 585643073 /nfs/dbraw/zinc/64/30/73/585643073.db2.gz OYVUYDMIDDKKRF-UHFFFAOYSA-N 1 0 217.740 2.487 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C#N)cc1 ZINC000774167241 585652533 /nfs/dbraw/zinc/65/25/33/585652533.db2.gz VYRHIBWTUJGSLB-CABCVRRESA-N 1 0 243.354 2.303 20 30 BEEDRO CCc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[nH]n1 ZINC000774188886 585653095 /nfs/dbraw/zinc/65/30/95/585653095.db2.gz KFMYQLPCDQRCEO-ZYHUDNBSSA-N 1 0 232.331 2.144 20 30 BEEDRO CCc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000774188882 585653176 /nfs/dbraw/zinc/65/31/76/585653176.db2.gz KFMYQLPCDQRCEO-JQWIXIFHSA-N 1 0 232.331 2.144 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@H]1CCCO1 ZINC000774364504 585657065 /nfs/dbraw/zinc/65/70/65/585657065.db2.gz QIIGLVRIPYRUST-GZBFAFLISA-N 1 0 245.322 2.427 20 30 BEEDRO C[C@@H](CC#N)N[NH+]=C1CCCNc2ccccc21 ZINC000774394951 585657328 /nfs/dbraw/zinc/65/73/28/585657328.db2.gz NZLCPEYJOAGVHL-NSHDSACASA-N 1 0 242.326 2.488 20 30 BEEDRO CC(=[NH+]OC1CCOCC1)c1ccc(N)cc1 ZINC000774435897 585658833 /nfs/dbraw/zinc/65/88/33/585658833.db2.gz KLUVPYINPCZOPF-UHFFFAOYSA-N 1 0 234.299 2.188 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOC1CCCC1 ZINC000774607897 585662042 /nfs/dbraw/zinc/66/20/42/585662042.db2.gz JKWPMAXXHFULOX-SNVBAGLBSA-N 1 0 222.332 2.416 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000774782840 585665954 /nfs/dbraw/zinc/66/59/54/585665954.db2.gz BOZGQNCAZKFQJV-UHFFFAOYSA-N 1 0 231.299 2.407 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1C)[C@@H]1CCCO1 ZINC000775340868 585676193 /nfs/dbraw/zinc/67/61/93/585676193.db2.gz ISWAQVBBUXRLDG-GJZGRUSLSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCO1 ZINC000775341366 585676210 /nfs/dbraw/zinc/67/62/10/585676210.db2.gz LXAISJZXDNUWPO-ZIAGYGMSSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775342694 585676216 /nfs/dbraw/zinc/67/62/16/585676216.db2.gz SOTUFVSDXYXMKC-UONOGXRCSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)c(F)c1)[C@@H]1CCCO1 ZINC000775340231 585676333 /nfs/dbraw/zinc/67/63/33/585676333.db2.gz GELTWWZZOLFMFT-GJZGRUSLSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)c(C)c1)[C@@H]1CCCO1 ZINC000775351212 585676552 /nfs/dbraw/zinc/67/65/52/585676552.db2.gz SGTCCSPHEJPUNI-GJZGRUSLSA-N 1 0 247.313 2.405 20 30 BEEDRO C#CC[C@H]([NH2+]CCC(=O)OCC)c1ccccc1 ZINC000775400323 585677469 /nfs/dbraw/zinc/67/74/69/585677469.db2.gz YWZWFTLFEFRMCI-AWEZNQCLSA-N 1 0 245.322 2.294 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1cnccc1C)[C@@H]1CCCO1 ZINC000775571241 585680396 /nfs/dbraw/zinc/68/03/96/585680396.db2.gz DCUZLHQONGMJFQ-SNPRPXQTSA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC(F)(F)F)[C@@H]1CCCO1 ZINC000775572791 585680550 /nfs/dbraw/zinc/68/05/50/585680550.db2.gz CZCYRSSUKLJQOA-DCAQKATOSA-N 1 0 249.276 2.488 20 30 BEEDRO C=C(C)CC[NH+]1CCC(n2cccn2)CC1 ZINC000775600924 585681527 /nfs/dbraw/zinc/68/15/27/585681527.db2.gz NTIUBSZVOGFVIT-UHFFFAOYSA-N 1 0 219.332 2.486 20 30 BEEDRO C#C[C@@H]([NH2+]CCCc1ccccc1)[C@H]1CCCO1 ZINC000775794845 585685364 /nfs/dbraw/zinc/68/53/64/585685364.db2.gz KOXJJJNVOFJIKR-HZPDHXFCSA-N 1 0 243.350 2.390 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775834710 585685950 /nfs/dbraw/zinc/68/59/50/585685950.db2.gz PFBQHBUZIYXLIY-CYBMUJFWSA-N 1 0 246.354 2.053 20 30 BEEDRO C#CCCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000775850283 585686222 /nfs/dbraw/zinc/68/62/22/585686222.db2.gz VLPUVTOIANPVFR-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000776738423 585703979 /nfs/dbraw/zinc/70/39/79/585703979.db2.gz ALRVTNVSGJKAOU-GWCFXTLKSA-N 1 0 247.317 2.052 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CCO)C1CC1 ZINC000776799843 585705837 /nfs/dbraw/zinc/70/58/37/585705837.db2.gz OAXKBFLWDXDVAN-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C#N)cc1C ZINC000776802795 585705968 /nfs/dbraw/zinc/70/59/68/585705968.db2.gz POCWYCPUDFCCKD-UHFFFAOYSA-N 1 0 212.296 2.322 20 30 BEEDRO CC(C[NH+]1CCCCCC1)N=Nc1ncccn1 ZINC000777432495 585711983 /nfs/dbraw/zinc/71/19/83/585711983.db2.gz RFSXJZIVZIAPLY-UHFFFAOYSA-N 1 0 247.346 2.140 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000777736028 585719277 /nfs/dbraw/zinc/71/92/77/585719277.db2.gz AVWFYZHCGQPZHM-HNNXBMFYSA-N 1 0 247.313 2.132 20 30 BEEDRO C=C(C)CNC(=O)C[N@@H+](C)CCCCCC ZINC000779126477 585745445 /nfs/dbraw/zinc/74/54/45/585745445.db2.gz YRZGYIJXXOGCNC-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC[C@@H]([NH2+][C@@H](C)CCO)c1ccncc1 ZINC000779405786 585753651 /nfs/dbraw/zinc/75/36/51/585753651.db2.gz SCAOYHFLSYPBPU-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO CCC[C@@H](C)C(CC)=NNC1=[NH+][C@H](C)CN1 ZINC000779793808 585764218 /nfs/dbraw/zinc/76/42/18/585764218.db2.gz AGYCDBSRHTXJIF-NXEZZACHSA-N 1 0 224.352 2.126 20 30 BEEDRO CC(=[NH+]N[C@@H]1CCCOC1)c1ccc(N)cc1C ZINC000780261741 585775894 /nfs/dbraw/zinc/77/58/94/585775894.db2.gz KWKWLCXYUBEXTD-CYBMUJFWSA-N 1 0 247.342 2.070 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCc2ccccc21 ZINC000780303515 585777704 /nfs/dbraw/zinc/77/77/04/585777704.db2.gz DWQJRIDQTBDBSJ-HNNXBMFYSA-N 1 0 243.350 2.298 20 30 BEEDRO CC1(C#N)CC[NH+](C[Si](C)(C)C)CC1 ZINC000780335097 585778101 /nfs/dbraw/zinc/77/81/01/585778101.db2.gz PPOGNVRAKRLIEO-UHFFFAOYSA-N 1 0 210.397 2.489 20 30 BEEDRO CCCCCC[C@H](C)N[NH+]=Cc1cnc(N)nc1 ZINC000781592833 585799867 /nfs/dbraw/zinc/79/98/67/585799867.db2.gz KLSXNOLSFYSONW-NSHDSACASA-N 1 0 249.362 2.341 20 30 BEEDRO COc1ccc(C[NH+]2CCC(CC#N)CC2)nc1 ZINC000782087004 585807669 /nfs/dbraw/zinc/80/76/69/585807669.db2.gz ALOSMGSQUTVDFN-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO CC1(C)CCC[C@@H]1NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000782289969 585814248 /nfs/dbraw/zinc/81/42/48/585814248.db2.gz YMHFBHICDMJQPI-OLZOCXBDSA-N 1 0 235.375 2.379 20 30 BEEDRO COCC#CC[N@@H+]1CCCC2(CCCC2)C1 ZINC000782636087 585823550 /nfs/dbraw/zinc/82/35/50/585823550.db2.gz CYMUIEFCVOCBLY-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000783293515 585833423 /nfs/dbraw/zinc/83/34/23/585833423.db2.gz GLHCMSVAOUUICV-SRVKXCTJSA-N 1 0 230.315 2.128 20 30 BEEDRO CN(C)c1ccc(C(N)=[NH+]OCCC2CC2)cc1 ZINC000783552468 585836649 /nfs/dbraw/zinc/83/66/49/585836649.db2.gz GHOMGKGNYZJKFT-UHFFFAOYSA-N 1 0 247.342 2.190 20 30 BEEDRO C#CCCC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000805751771 585842794 /nfs/dbraw/zinc/84/27/94/585842794.db2.gz PKCBUKWMNLPWQX-GFCCVEGCSA-N 1 0 209.333 2.025 20 30 BEEDRO CC(=[NH+]n1cnnc1)C1CCCCCC1 ZINC000783769985 585842844 /nfs/dbraw/zinc/84/28/44/585842844.db2.gz CJXPIVYPKCOYPW-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO NC(=[NH2+])N=NC1CC(c2ccc(Cl)cc2)C1 ZINC000783823601 585844150 /nfs/dbraw/zinc/84/41/50/585844150.db2.gz GVIZFIGYBXBCQE-UHFFFAOYSA-N 1 0 236.706 2.056 20 30 BEEDRO CC[C@@H]1CCC[C@@H](C=NNC2=[NH+][C@H](C)CN2)C1 ZINC000783863832 585845108 /nfs/dbraw/zinc/84/51/08/585845108.db2.gz TVOINDHMYHVAQW-IJLUTSLNSA-N 1 0 236.363 2.126 20 30 BEEDRO Cc1ccnc(NCC[N@H+]2CCC[C@H]2C)c1C#N ZINC000784163714 585852178 /nfs/dbraw/zinc/85/21/78/585852178.db2.gz VPOJWXNUBJOJDR-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784575760 585863825 /nfs/dbraw/zinc/86/38/25/585863825.db2.gz XNMRWRGMZVDYJS-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000785419546 585872976 /nfs/dbraw/zinc/87/29/76/585872976.db2.gz LDMFSFBHNLOICO-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000785479039 585874596 /nfs/dbraw/zinc/87/45/96/585874596.db2.gz TVIRYLDXOMIRBK-ZDUSSCGKSA-N 1 0 242.322 2.201 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000785695291 585878727 /nfs/dbraw/zinc/87/87/27/585878727.db2.gz XQDDLJQSEBABSM-ZDUSSCGKSA-N 1 0 243.322 2.320 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN(C)[C@H](C)C1 ZINC000785767225 585880200 /nfs/dbraw/zinc/88/02/00/585880200.db2.gz NMLVEHMHAUKNDG-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C/C=C(\C)C(=O)OC ZINC000785998211 585884982 /nfs/dbraw/zinc/88/49/82/585884982.db2.gz ZFJWQUOKHMCBSH-OBIHZWKSSA-N 1 0 223.316 2.146 20 30 BEEDRO C[C@@H]1CC(=NNC2CCCCC2)CC[N@@H+]1C ZINC000786041885 585886137 /nfs/dbraw/zinc/88/61/37/585886137.db2.gz DTTQZSOIWOYWHZ-LLVKDONJSA-N 1 0 223.364 2.379 20 30 BEEDRO C=CCCN(C)Cn1cc(C)cnc1=S ZINC000786102169 585887311 /nfs/dbraw/zinc/88/73/11/585887311.db2.gz RPAYQCSTUGYEPH-UHFFFAOYSA-N 1 0 223.345 2.386 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000786444179 585891690 /nfs/dbraw/zinc/89/16/90/585891690.db2.gz JZRQYWDCHBOIMO-NSHDSACASA-N 1 0 242.363 2.408 20 30 BEEDRO C#CCC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000805820339 585897908 /nfs/dbraw/zinc/89/79/08/585897908.db2.gz KYEWAGBXWNVIJB-GJZGRUSLSA-N 1 0 245.366 2.496 20 30 BEEDRO CC#CCCOC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000786878175 585898247 /nfs/dbraw/zinc/89/82/47/585898247.db2.gz DCLJQTAGXRVCKY-AWEZNQCLSA-N 1 0 249.354 2.350 20 30 BEEDRO CC[C@H](CC#N)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000787085594 585900796 /nfs/dbraw/zinc/90/07/96/585900796.db2.gz DFBUXLUDILQFBW-VXGBXAGGSA-N 1 0 240.347 2.342 20 30 BEEDRO CC(C)(C)CC(=[NH+]n1cnnc1)C1CC1 ZINC000787144352 585902028 /nfs/dbraw/zinc/90/20/28/585902028.db2.gz ISIPTXIENNYCCA-UHFFFAOYSA-N 1 0 206.293 2.328 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NOCC(F)(F)F)C1 ZINC000788435834 585923225 /nfs/dbraw/zinc/92/32/25/585923225.db2.gz YLZNHRJNDLATFV-VIFPVBQESA-N 1 0 238.253 2.426 20 30 BEEDRO CC1=C[C@H](C)C[C@@H](C=[NH+]n2cnnc2)C1 ZINC000789639137 585947508 /nfs/dbraw/zinc/94/75/08/585947508.db2.gz IEAYOSGRDUSFHD-GXSJLCMTSA-N 1 0 204.277 2.104 20 30 BEEDRO C=CCC[C@@H](C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000789804256 585950899 /nfs/dbraw/zinc/95/08/99/585950899.db2.gz LAPXSMISUUOMJH-NEPJUHHUSA-N 1 0 227.348 2.471 20 30 BEEDRO Cc1cccnc1N=NC1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000790185226 585960081 /nfs/dbraw/zinc/96/00/81/585960081.db2.gz DSJGWNWAXAVQOK-LLVKDONJSA-N 1 0 244.342 2.415 20 30 BEEDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000791568655 585984458 /nfs/dbraw/zinc/98/44/58/585984458.db2.gz XKYURBWDEPUGLQ-JTNHKYCSSA-N 1 0 230.311 2.074 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@H](C)CC ZINC000791799327 585988183 /nfs/dbraw/zinc/98/81/83/585988183.db2.gz ALSXEUZABRVMGY-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](O)c1ccccc1C ZINC000792405652 586000444 /nfs/dbraw/zinc/00/04/44/586000444.db2.gz AGCMAPAGBLXPIS-HNNXBMFYSA-N 1 0 249.354 2.163 20 30 BEEDRO CC[C@]1([NH2+]Cc2ccc(F)cc2C#N)CCOC1 ZINC000792419558 586000679 /nfs/dbraw/zinc/00/06/79/586000679.db2.gz QXBYLWCFJOMZOL-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1CC(=O)NCC ZINC000792923866 586007079 /nfs/dbraw/zinc/00/70/79/586007079.db2.gz DYZACKIBDYOMHP-NSHDSACASA-N 1 0 244.766 2.120 20 30 BEEDRO C#CCCC[N@H+]1CCCCC[C@@H]1CCO ZINC000792925727 586007161 /nfs/dbraw/zinc/00/71/61/586007161.db2.gz KPNVKPHCKNZORK-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO CC(=NN[C@@H](C)C(C)(C)C)c1cn(C)c(C)n1 ZINC000793110914 586010424 /nfs/dbraw/zinc/01/04/24/586010424.db2.gz CSJIDHWCEFRXJM-JTQLQIEISA-N 1 0 236.363 2.477 20 30 BEEDRO C[C@@H](N=NC1CCC[N@H+](C)CC1)C(C)(C)C ZINC000793112853 586010584 /nfs/dbraw/zinc/01/05/84/586010584.db2.gz XVMOBCAELKHLIG-LLVKDONJSA-N 1 0 225.380 2.482 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]CC1(CO)COC1 ZINC000793545877 586022511 /nfs/dbraw/zinc/02/25/11/586022511.db2.gz DMQBZGJLTNCKCC-ZDUSSCGKSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cn(C)nn1 ZINC000793556780 586023007 /nfs/dbraw/zinc/02/30/07/586023007.db2.gz ZAMOPEDWQXYNST-GFCCVEGCSA-N 1 0 236.363 2.430 20 30 BEEDRO CC(N=NC(N)=[NH2+])[C@H](C)c1ccc(Cl)cc1 ZINC000794488444 586040685 /nfs/dbraw/zinc/04/06/85/586040685.db2.gz HTDKQKQIKWVOFQ-ZETCQYMHSA-N 1 0 238.722 2.302 20 30 BEEDRO C#CC[N@H+](CCN1CCc2ccccc21)C1CC1 ZINC000794498193 586040977 /nfs/dbraw/zinc/04/09/77/586040977.db2.gz TUUGDIXNALYVCK-UHFFFAOYSA-N 1 0 240.350 2.147 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000794576337 586044829 /nfs/dbraw/zinc/04/48/29/586044829.db2.gz JGGCKXIFYOSVKG-CHWSQXEVSA-N 1 0 240.391 2.461 20 30 BEEDRO CSCCON=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000794576939 586045211 /nfs/dbraw/zinc/04/52/11/586045211.db2.gz LDDXZCVJCQNWMD-SNVBAGLBSA-N 1 0 230.377 2.082 20 30 BEEDRO C=CCN[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000794999586 586063752 /nfs/dbraw/zinc/06/37/52/586063752.db2.gz LMBKZTNHDLEJLW-UHFFFAOYSA-N 1 0 217.316 2.252 20 30 BEEDRO C[C@@H](C#N)OCC[NH+](C1CCC1)C1CCC1 ZINC000795491465 586081414 /nfs/dbraw/zinc/08/14/14/586081414.db2.gz PWCOAROBDJIKNL-NSHDSACASA-N 1 0 222.332 2.322 20 30 BEEDRO C=CC[N@H+](CCOC)CC[C@@H](O)c1ccccc1 ZINC000796035003 586096767 /nfs/dbraw/zinc/09/67/67/586096767.db2.gz VYXNTUHNTJIWAX-OAHLLOKOSA-N 1 0 249.354 2.245 20 30 BEEDRO CC[C@@H]1CC[C@H](C)CC1=NNC1=[NH+][C@H](C)CN1 ZINC000797403465 586126268 /nfs/dbraw/zinc/12/62/68/586126268.db2.gz NORANWCRTDREQJ-HBNTYKKESA-N 1 0 236.363 2.126 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000797878136 586133580 /nfs/dbraw/zinc/13/35/80/586133580.db2.gz NLNCVZGBLFALFY-DZGCQCFKSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000798404937 586143476 /nfs/dbraw/zinc/14/34/76/586143476.db2.gz WDXYNGQJPXOVAU-UHFFFAOYSA-N 1 0 241.338 2.256 20 30 BEEDRO C=C[C@H](CC)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798847095 586151340 /nfs/dbraw/zinc/15/13/40/586151340.db2.gz GMSZIJFKAFGUEJ-GHMZBOCLSA-N 1 0 213.321 2.080 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)c1ccc(F)cn1 ZINC000799304455 586170232 /nfs/dbraw/zinc/17/02/32/586170232.db2.gz XYFJKFONVJNZHN-CYBMUJFWSA-N 1 0 238.306 2.152 20 30 BEEDRO CCOC(CC[NH2+][C@H]1CC[C@H](C#N)C1)OCC ZINC000799724750 586193490 /nfs/dbraw/zinc/19/34/90/586193490.db2.gz IIAZPSDSLBXQEA-RYUDHWBXSA-N 1 0 240.347 2.057 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1CC(C)(C)C1 ZINC000859361617 589034172 /nfs/dbraw/zinc/03/41/72/589034172.db2.gz PEPRDKIQKCTOLT-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@H]1CCCO1 ZINC000800982361 586239149 /nfs/dbraw/zinc/23/91/49/586239149.db2.gz HVRMXAATUKNWJZ-LXTVHRRPSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000859445102 589036762 /nfs/dbraw/zinc/03/67/62/589036762.db2.gz BDUTZQHVAJQQTN-CHWSQXEVSA-N 1 0 249.354 2.370 20 30 BEEDRO CC[NH+](CC)Cc1ccc(C(=O)OCC#N)cc1 ZINC000801425585 586256969 /nfs/dbraw/zinc/25/69/69/586256969.db2.gz IVMMXPVANYHYPX-UHFFFAOYSA-N 1 0 246.310 2.209 20 30 BEEDRO C#CCCC[N@@H+]1CCOc2cccc(F)c2C1 ZINC000801583722 586265316 /nfs/dbraw/zinc/26/53/16/586265316.db2.gz MEBLYZBYVYQSFM-UHFFFAOYSA-N 1 0 233.286 2.434 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000801918495 586276403 /nfs/dbraw/zinc/27/64/03/586276403.db2.gz PFDQWLZMQXQCMU-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO Cc1cc([C@@H]2CCC[N@H+]2CCO[C@@H](C)C#N)on1 ZINC000801913115 586276536 /nfs/dbraw/zinc/27/65/36/586276536.db2.gz QDRMPNOMYMSYBY-RYUDHWBXSA-N 1 0 249.314 2.049 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C1Cc2ccccc2C1 ZINC000801916214 586276792 /nfs/dbraw/zinc/27/67/92/586276792.db2.gz RKBAXELVVPBFBO-GFCCVEGCSA-N 1 0 244.338 2.014 20 30 BEEDRO CCSCC[C@@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000801934852 586278726 /nfs/dbraw/zinc/27/87/26/586278726.db2.gz RZMDEJZIVKTEQG-NEPJUHHUSA-N 1 0 244.404 2.379 20 30 BEEDRO C[C@H](C#N)OCC[NH2+]C1(c2ccccc2F)CC1 ZINC000801938011 586280109 /nfs/dbraw/zinc/28/01/09/586280109.db2.gz BQVCXRAXDDYGHA-LLVKDONJSA-N 1 0 248.301 2.333 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1ccccn1 ZINC000801936220 586280144 /nfs/dbraw/zinc/28/01/44/586280144.db2.gz QTLIEKXETJDGQI-RYUDHWBXSA-N 1 0 233.315 2.003 20 30 BEEDRO CC1C[NH+](Cc2ccc(N(C)CCC#N)cc2)C1 ZINC000802651671 586307696 /nfs/dbraw/zinc/30/76/96/586307696.db2.gz WLCRYZQPTKAAGU-UHFFFAOYSA-N 1 0 243.354 2.488 20 30 BEEDRO CC(C)CCC(=NNC1=[NH+][C@H](C)CN1)C1CC1 ZINC000802712843 586309740 /nfs/dbraw/zinc/30/97/40/586309740.db2.gz WKJVHTHFRJVVIL-SNVBAGLBSA-N 1 0 236.363 2.126 20 30 BEEDRO C=C(C)CCOC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000803487330 586360607 /nfs/dbraw/zinc/36/06/07/586360607.db2.gz CXPDMOIOLDZWLQ-RYUDHWBXSA-N 1 0 225.332 2.369 20 30 BEEDRO N#CCCC[N@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000859585378 589047551 /nfs/dbraw/zinc/04/75/51/589047551.db2.gz OQOHOQCERWBYPK-HNNXBMFYSA-N 1 0 244.338 2.274 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)nc1 ZINC000806161846 586406890 /nfs/dbraw/zinc/40/68/90/586406890.db2.gz UWRBOJQJOHFWRV-ZIAGYGMSSA-N 1 0 227.311 2.231 20 30 BEEDRO CC[C@@H]1CCC1=NNCC[NH+]1CCCCC1 ZINC000807964576 586453513 /nfs/dbraw/zinc/45/35/13/586453513.db2.gz MZGHGPGNYCZURQ-GFCCVEGCSA-N 1 0 223.364 2.238 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H](O)c1ccccc1 ZINC000808722091 586484317 /nfs/dbraw/zinc/48/43/17/586484317.db2.gz YUSILXHDYYPZLC-CTHBEMJXSA-N 1 0 244.338 2.390 20 30 BEEDRO CC(C)C(=O)CC[NH+]1CCC(C)(C#N)CC1 ZINC000808745498 586486499 /nfs/dbraw/zinc/48/64/99/586486499.db2.gz XNGYFGRRKGRWKH-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[N@H+](CCOC)CC[C@H](O)c1ccccc1 ZINC000808753217 586488420 /nfs/dbraw/zinc/48/84/20/586488420.db2.gz VYXNTUHNTJIWAX-HNNXBMFYSA-N 1 0 249.354 2.245 20 30 BEEDRO CC[N@@H+](Cc1ccccc1C)C[C@H](O)CC#N ZINC000809571620 586506850 /nfs/dbraw/zinc/50/68/50/586506850.db2.gz ZNWWPZVRTAQYNH-CQSZACIVSA-N 1 0 232.327 2.092 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCOC[C@@H]2C)cc1 ZINC000809580078 586508547 /nfs/dbraw/zinc/50/85/47/586508547.db2.gz JZJLVYCYFOBZTK-ZDUSSCGKSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOC(F)(F)F)cc1 ZINC000809653188 586509069 /nfs/dbraw/zinc/50/90/69/586509069.db2.gz SCUMMTUIDUFHIT-UHFFFAOYSA-N 1 0 243.228 2.294 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)CN(CC)CC)cc1 ZINC000809616024 586509322 /nfs/dbraw/zinc/50/93/22/586509322.db2.gz HIAZLKMFVFAHRL-CQSZACIVSA-N 1 0 244.382 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1 ZINC000809629640 586509947 /nfs/dbraw/zinc/50/99/47/586509947.db2.gz AJWNXRYBGODATL-LLVKDONJSA-N 1 0 225.295 2.242 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOC2CCC2)cc1 ZINC000809624744 586509956 /nfs/dbraw/zinc/50/99/56/586509956.db2.gz QZJDZOXHWMHTAW-UHFFFAOYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN2CCC[C@H]2C)cc1 ZINC000809634279 586510466 /nfs/dbraw/zinc/51/04/66/586510466.db2.gz WNPXLHBVDUKTJJ-CQSZACIVSA-N 1 0 242.366 2.242 20 30 BEEDRO C#Cc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000809644332 586510583 /nfs/dbraw/zinc/51/05/83/586510583.db2.gz QHVRXLJCEXTMJQ-UONOGXRCSA-N 1 0 242.366 2.192 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000809683059 586511538 /nfs/dbraw/zinc/51/15/38/586511538.db2.gz NMUKVXMCKSVZPG-JTQLQIEISA-N 1 0 228.270 2.485 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CCc1n[nH]c2ccccc21 ZINC000809683718 586511554 /nfs/dbraw/zinc/51/15/54/586511554.db2.gz LTOUTXYXKIRDEE-NWDGAFQWSA-N 1 0 241.338 2.495 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000809683628 586512214 /nfs/dbraw/zinc/51/22/14/586512214.db2.gz GNCOKKMOLBEGEL-QWRGUYRKSA-N 1 0 245.322 2.130 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000809684060 586512219 /nfs/dbraw/zinc/51/22/19/586512219.db2.gz ZROZYISGPBHZBT-JTQLQIEISA-N 1 0 233.311 2.124 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2ccccn12)C(C)(C)C ZINC000809781514 586519955 /nfs/dbraw/zinc/51/99/55/586519955.db2.gz UGUDNQFLHUJAOW-CYBMUJFWSA-N 1 0 241.338 2.472 20 30 BEEDRO C#CCC[N@@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000810043637 586532150 /nfs/dbraw/zinc/53/21/50/586532150.db2.gz ZXNUWPLAKJDQOH-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCCCCCCC[NH2+]Cc1cn(C)nn1 ZINC000810159725 586536040 /nfs/dbraw/zinc/53/60/40/586536040.db2.gz GCTYZJHCKIWMRT-UHFFFAOYSA-N 1 0 236.363 2.431 20 30 BEEDRO C=CCCCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000811011632 586552603 /nfs/dbraw/zinc/55/26/03/586552603.db2.gz GHFUFXMDLNOPBF-GFCCVEGCSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCCCCCCCNC(=O)C[NH+](C)C ZINC000811590075 586561847 /nfs/dbraw/zinc/56/18/47/586561847.db2.gz OJHMLPZZKRBQTL-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NOC/C=C/Cl ZINC000811667709 586564878 /nfs/dbraw/zinc/56/48/78/586564878.db2.gz BLHDJOYOJLZXDT-CVKONFARSA-N 1 0 239.706 2.251 20 30 BEEDRO CC[N@@H+]1CCC(=NOC/C=C/Cl)[C@H](C)C1 ZINC000811669992 586565445 /nfs/dbraw/zinc/56/54/45/586565445.db2.gz XFBQREDQLWTYBR-JHHIIGCBSA-N 1 0 230.739 2.473 20 30 BEEDRO NC(=[NH2+])NN=Cc1ccc(C2CCCC2)cc1 ZINC000812224231 586570560 /nfs/dbraw/zinc/57/05/60/586570560.db2.gz HDKADHGHVKJJDZ-UHFFFAOYSA-N 1 0 230.315 2.161 20 30 BEEDRO COc1ccc(F)cc1C=NNc1nccn1C ZINC000812229665 586570948 /nfs/dbraw/zinc/57/09/48/586570948.db2.gz GFKKACAXOMYPAY-UHFFFAOYSA-N 1 0 248.261 2.014 20 30 BEEDRO CC(C)OCCON=C1CCC[C@@H]([NH+](C)C)C1 ZINC000812237608 586571913 /nfs/dbraw/zinc/57/19/13/586571913.db2.gz IJAWNUSVDRCKNH-CYBMUJFWSA-N 1 0 242.363 2.288 20 30 BEEDRO C#CCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000813858434 586608306 /nfs/dbraw/zinc/60/83/06/586608306.db2.gz ZOMGDSCRBOSIEI-CYBMUJFWSA-N 1 0 246.358 2.429 20 30 BEEDRO COC(=O)[C@H](C)CC=[NH+]n1cnc2ccccc21 ZINC000814216913 586618190 /nfs/dbraw/zinc/61/81/90/586618190.db2.gz IIEOTLDWHSIUNA-SNVBAGLBSA-N 1 0 245.282 2.069 20 30 BEEDRO CC(C)(C)[C@@H]1CC(=[NH+]n2cnnc2)CS1 ZINC000814682438 586628701 /nfs/dbraw/zinc/62/87/01/586628701.db2.gz KCLLZEVEGZOPDG-VIFPVBQESA-N 1 0 224.333 2.034 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)[C@@H]1CC1(C)C ZINC000814808110 586636428 /nfs/dbraw/zinc/63/64/28/586636428.db2.gz CCEJYFQNKQCKSY-ZDUSSCGKSA-N 1 0 237.391 2.484 20 30 BEEDRO CC(=[NH+][N-]c1ccc(F)cn1)c1ccc(N)nc1 ZINC000814843130 586638336 /nfs/dbraw/zinc/63/83/36/586638336.db2.gz ZQXVSRWRLZZRAC-UHFFFAOYSA-N 1 0 245.261 2.034 20 30 BEEDRO CC[C@@H](C)NN=C(C)C1CC[NH+](C)CC1 ZINC000814913627 586649843 /nfs/dbraw/zinc/64/98/43/586649843.db2.gz RTWITTAIEGHAFB-SNVBAGLBSA-N 1 0 211.353 2.092 20 30 BEEDRO N#CCCOCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000815089257 586666019 /nfs/dbraw/zinc/66/60/19/586666019.db2.gz CFMMIPMFTYDXKH-CQSZACIVSA-N 1 0 245.326 2.053 20 30 BEEDRO C=CCC(F)(F)C(=O)OCC[NH+](CC)CC ZINC000815312766 586678358 /nfs/dbraw/zinc/67/83/58/586678358.db2.gz IGCUUJXGNIKNOB-UHFFFAOYSA-N 1 0 235.274 2.083 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]1C(C)C ZINC000815652839 586690593 /nfs/dbraw/zinc/69/05/93/586690593.db2.gz WJBOGWVQDJAYSJ-LSDHHAIUSA-N 1 0 236.403 2.356 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@@H]1C ZINC000816647533 586750771 /nfs/dbraw/zinc/75/07/71/586750771.db2.gz UFPVLIBETHTKOU-RKDXNWHRSA-N 1 0 206.314 2.460 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000817289678 586793331 /nfs/dbraw/zinc/79/33/31/586793331.db2.gz BSOSLYOPIIBHKY-SNVBAGLBSA-N 1 0 215.724 2.118 20 30 BEEDRO C=C(Cl)CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817903581 586835726 /nfs/dbraw/zinc/83/57/26/586835726.db2.gz FWFVEAOWHMVDDS-DGCLKSJQSA-N 1 0 238.762 2.287 20 30 BEEDRO C=C(Cl)CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000817903582 586835933 /nfs/dbraw/zinc/83/59/33/586835933.db2.gz FWFVEAOWHMVDDS-WCQYABFASA-N 1 0 238.762 2.287 20 30 BEEDRO C#CCCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000818332900 586886667 /nfs/dbraw/zinc/88/66/67/586886667.db2.gz RJJJTDJWQSTKGK-KPWCQOOUSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000818344997 586887664 /nfs/dbraw/zinc/88/76/64/586887664.db2.gz RYOZJTIZMKXSLF-GHMZBOCLSA-N 1 0 236.363 2.297 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]C[C@H](C#N)CCC#N ZINC000818954180 586917659 /nfs/dbraw/zinc/91/76/59/586917659.db2.gz SVVJOGBARYXQCA-RYUDHWBXSA-N 1 0 231.299 2.244 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819188131 586936701 /nfs/dbraw/zinc/93/67/01/586936701.db2.gz CHVXRBZEQKCCHP-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000819212539 586939302 /nfs/dbraw/zinc/93/93/02/586939302.db2.gz CXCYKHYWWATDRX-OAHLLOKOSA-N 1 0 231.339 2.340 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000819931918 587003506 /nfs/dbraw/zinc/00/35/06/587003506.db2.gz VVQWLHLRINSAMI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(=O)CC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000860105404 589080393 /nfs/dbraw/zinc/08/03/93/589080393.db2.gz RCEZPCNLAMUQKV-UHFFFAOYSA-N 1 0 242.322 2.090 20 30 BEEDRO C#CC[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC000860103143 589080489 /nfs/dbraw/zinc/08/04/89/589080489.db2.gz LNPRWSRTOGRAGF-GFCCVEGCSA-N 1 0 233.286 2.257 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)C[C@H]1CC ZINC000820728607 587069289 /nfs/dbraw/zinc/06/92/89/587069289.db2.gz NNFRPEPOPAUMES-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](C/C=C/C)C1 ZINC000860185665 589088028 /nfs/dbraw/zinc/08/80/28/589088028.db2.gz RTKGTKJGKLAIAV-KQIUPUNMSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CCCC[N@@H+]1CCOc2cc(F)ccc2C1 ZINC000860173374 589086139 /nfs/dbraw/zinc/08/61/39/589086139.db2.gz XYELMKTUEHNMHD-UHFFFAOYSA-N 1 0 233.286 2.434 20 30 BEEDRO C=C(C)C(C)(C)C(=O)OCCC[NH+](C)C ZINC000821452032 587120640 /nfs/dbraw/zinc/12/06/40/587120640.db2.gz KWUKUGFCIOXMFC-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCO[C@H]2C=C)cc1 ZINC000822493951 587171746 /nfs/dbraw/zinc/17/17/46/587171746.db2.gz CNUPWYNPBZOFOJ-HOTGVXAUSA-N 1 0 241.334 2.349 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000860208443 589089876 /nfs/dbraw/zinc/08/98/76/589089876.db2.gz XFKGEWCIAHZFSL-AWEZNQCLSA-N 1 0 230.311 2.154 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000823185224 587206895 /nfs/dbraw/zinc/20/68/95/587206895.db2.gz PVMCVVCFFCIZRE-LLVKDONJSA-N 1 0 216.756 2.011 20 30 BEEDRO C=CCCc1noc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC000823263179 587212408 /nfs/dbraw/zinc/21/24/08/587212408.db2.gz FHIGCOPMNPQKEA-UHFFFAOYSA-N 1 0 241.294 2.458 20 30 BEEDRO C#CCC[N@H+](CC1CC1)[C@](C)(CC)C(=O)OC ZINC000823503826 587228101 /nfs/dbraw/zinc/22/81/01/587228101.db2.gz YRZXWDRBVSVZRI-CQSZACIVSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC[S@@](=O)CC ZINC000823875663 587245226 /nfs/dbraw/zinc/24/52/26/587245226.db2.gz DXTSBOUMSZIMBR-DOMZBBRYSA-N 1 0 231.405 2.480 20 30 BEEDRO Cn1nc(C2CC2)cc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000824187465 587259698 /nfs/dbraw/zinc/25/96/98/587259698.db2.gz HTOIHOYYOLNVSQ-JQWIXIFHSA-N 1 0 244.342 2.079 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCCO1 ZINC000824195320 587259972 /nfs/dbraw/zinc/25/99/72/587259972.db2.gz AWEXPIQGSURBSC-GQKFXUNGSA-N 1 0 246.354 2.229 20 30 BEEDRO Cn1nc(C2CC2)cc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000824187467 587259989 /nfs/dbraw/zinc/25/99/89/587259989.db2.gz HTOIHOYYOLNVSQ-ZYHUDNBSSA-N 1 0 244.342 2.079 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000824271860 587264158 /nfs/dbraw/zinc/26/41/58/587264158.db2.gz YWDRQLOOLYEOGY-UPJWGTAASA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCOc1ccccc1C[NH+]1CC2(CC2)C1 ZINC000824533924 587273934 /nfs/dbraw/zinc/27/39/34/587273934.db2.gz SOYFKJXKQPXUCG-UHFFFAOYSA-N 1 0 227.307 2.294 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000824691133 587282737 /nfs/dbraw/zinc/28/27/37/587282737.db2.gz USERSPPKFYXHFK-RWMBFGLXSA-N 1 0 220.316 2.351 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000824789693 587287904 /nfs/dbraw/zinc/28/79/04/587287904.db2.gz FJFKPZFKZHVQLT-SECBINFHSA-N 1 0 240.372 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(F)nc1 ZINC000824954833 587294419 /nfs/dbraw/zinc/29/44/19/587294419.db2.gz STUUQOKQSKEXQC-NEPJUHHUSA-N 1 0 236.290 2.044 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)oc1C ZINC000825168423 587307475 /nfs/dbraw/zinc/30/74/75/587307475.db2.gz JPFQCLXPFWGCFQ-CYBMUJFWSA-N 1 0 223.316 2.313 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000825226518 587310054 /nfs/dbraw/zinc/31/00/54/587310054.db2.gz HYRQANNSUDYOCW-HNNXBMFYSA-N 1 0 227.307 2.450 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000825226159 587310078 /nfs/dbraw/zinc/31/00/78/587310078.db2.gz DYTPMGOZOBNMNC-DOMZBBRYSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC2=CCCOC2)c1 ZINC000825226581 587310107 /nfs/dbraw/zinc/31/01/07/587310107.db2.gz KPGASDHGYJEMCU-UHFFFAOYSA-N 1 0 227.307 2.104 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2cnn(CC)c2)c1 ZINC000825227597 587310538 /nfs/dbraw/zinc/31/05/38/587310538.db2.gz VKEKBOPTUGGWMH-UHFFFAOYSA-N 1 0 239.322 2.174 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c1 ZINC000825227628 587310543 /nfs/dbraw/zinc/31/05/43/587310543.db2.gz VVXMBHFAHDTGLF-LALPHHSUSA-N 1 0 229.323 2.323 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CC1CC1)C(C)C ZINC000825878265 587343349 /nfs/dbraw/zinc/34/33/49/587343349.db2.gz HPBCGGIUOZAKKQ-AWEZNQCLSA-N 1 0 231.343 2.041 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C2CCC2)cnn1C)C(C)C ZINC000825878369 587343570 /nfs/dbraw/zinc/34/35/70/587343570.db2.gz LJQLWZYERULYCH-AWEZNQCLSA-N 1 0 245.370 2.435 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2C(C)(C)C2(C)C)nn1 ZINC000825928570 587346089 /nfs/dbraw/zinc/34/60/89/587346089.db2.gz ZNERYNBLPDFFQY-UHFFFAOYSA-N 1 0 248.374 2.378 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CCOCC1 ZINC000827554906 587387526 /nfs/dbraw/zinc/38/75/26/587387526.db2.gz KZSZANILFUPCIA-QPSCCSFWSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccoc1)C1CCOCC1 ZINC000827554372 587387556 /nfs/dbraw/zinc/38/75/56/587387556.db2.gz CZZGSLIIWFKUNX-WFASDCNBSA-N 1 0 247.338 2.229 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCC12CC2)C1CCOCC1 ZINC000827555494 587388021 /nfs/dbraw/zinc/38/80/21/587388021.db2.gz VFFCMCUUKIHQLF-KBPBESRZSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CCC=C)C1CCOCC1 ZINC000827565357 587388837 /nfs/dbraw/zinc/38/88/37/587388837.db2.gz LHWGQZWPYCIOOC-GXTWGEPZSA-N 1 0 221.344 2.359 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](CC)C(C)C)C1CCOCC1 ZINC000827566475 587388916 /nfs/dbraw/zinc/38/89/16/587388916.db2.gz VRJUJBNWVKJOBF-UONOGXRCSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@H](C)C1)C1CCOCC1 ZINC000827565827 587388938 /nfs/dbraw/zinc/38/89/38/587388938.db2.gz OYLCCAJWLDGOBA-UBHSHLNASA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+]Cc1occc1C)C1CCOCC1 ZINC000827569677 587389066 /nfs/dbraw/zinc/38/90/66/587389066.db2.gz CKLGSBUUWFVKAT-ZDUSSCGKSA-N 1 0 233.311 2.106 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)cc1)C1CCOCC1 ZINC000827571202 587389206 /nfs/dbraw/zinc/38/92/06/587389206.db2.gz WJFYNJBDLCJMNJ-HNNXBMFYSA-N 1 0 247.313 2.344 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC[S@@](C)=O ZINC000827878563 587406812 /nfs/dbraw/zinc/40/68/12/587406812.db2.gz ZRAHPUDQWQHYBE-CQSZACIVSA-N 1 0 217.378 2.043 20 30 BEEDRO C#CCN(CC)CC[N@H+](C)Cc1ccccc1 ZINC000827990861 587415453 /nfs/dbraw/zinc/41/54/53/587415453.db2.gz LFZZKVYSXLKIMV-UHFFFAOYSA-N 1 0 230.355 2.074 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC000828030569 587417216 /nfs/dbraw/zinc/41/72/16/587417216.db2.gz FPBHNJQSTLSFDH-RYUDHWBXSA-N 1 0 225.332 2.084 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCC[C@@H]1CCOC1 ZINC000828434090 587441993 /nfs/dbraw/zinc/44/19/93/587441993.db2.gz MDDBGROETQWVSS-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCN(C)c1ccccc1 ZINC000828433795 587442195 /nfs/dbraw/zinc/44/21/95/587442195.db2.gz BGZOINSTNVJQKU-CQSZACIVSA-N 1 0 230.355 2.466 20 30 BEEDRO C#CCCN1CC[NH+]([C@H](C)CC(C)C)CC1 ZINC000828519378 587447115 /nfs/dbraw/zinc/44/71/15/587447115.db2.gz OCFUCMUWBMPQKU-CQSZACIVSA-N 1 0 222.376 2.062 20 30 BEEDRO C=CCCCC[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000828808657 587462836 /nfs/dbraw/zinc/46/28/36/587462836.db2.gz URISTNPSRIPXBW-LBPRGKRZSA-N 1 0 225.332 2.274 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](CC)C(=O)OCC)C1 ZINC000829783707 587515738 /nfs/dbraw/zinc/51/57/38/587515738.db2.gz AXYLJSNKKDLJFQ-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2nccn2CC)C1 ZINC000829783868 587515905 /nfs/dbraw/zinc/51/59/05/587515905.db2.gz CPDQIHFUTAZGLO-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCCCCO)C1 ZINC000829785151 587516374 /nfs/dbraw/zinc/51/63/74/587516374.db2.gz RGXNKEKEYKHSQW-CQSZACIVSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000829785259 587516525 /nfs/dbraw/zinc/51/65/25/587516525.db2.gz STBPDCGMHJJDML-CYBMUJFWSA-N 1 0 214.312 2.317 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000829789136 587516625 /nfs/dbraw/zinc/51/66/25/587516625.db2.gz OLHVNMWCKMVAEF-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@H](C)O2)C1 ZINC000829810216 587518400 /nfs/dbraw/zinc/51/84/00/587518400.db2.gz NANUPDQUTYCFMH-BFHYXJOUSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000829809754 587518413 /nfs/dbraw/zinc/51/84/13/587518413.db2.gz GPUINUCCHOYZLY-MNOVXSKESA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccnc(C)n2)C1 ZINC000829810368 587518566 /nfs/dbraw/zinc/51/85/66/587518566.db2.gz OUPBPCLXBPIKJK-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)C(C)C)C1 ZINC000829816107 587519852 /nfs/dbraw/zinc/51/98/52/587519852.db2.gz ZKDALSQRDCBQHN-ZDUSSCGKSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000829815217 587519884 /nfs/dbraw/zinc/51/98/84/587519884.db2.gz HKQLBBAJNHTKAF-GHMZBOCLSA-N 1 0 249.276 2.035 20 30 BEEDRO CCCCCCCC[NH2+][C@@H]1COC[C@H]1OC ZINC000830085865 587535066 /nfs/dbraw/zinc/53/50/66/587535066.db2.gz NROQVGQBJHSNBI-CHWSQXEVSA-N 1 0 229.364 2.350 20 30 BEEDRO C#CC1CC[NH+](CCCCCOC)CC1 ZINC000830321187 587545709 /nfs/dbraw/zinc/54/57/09/587545709.db2.gz AIZFIGWXSMQUGY-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC1CC[NH+](Cc2scnc2C)CC1 ZINC000830350411 587546714 /nfs/dbraw/zinc/54/67/14/587546714.db2.gz BOIJFQJYAHVGAJ-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC1CC[NH+](CC2CC(OCC)C2)CC1 ZINC000830350385 587546871 /nfs/dbraw/zinc/54/68/71/587546871.db2.gz BBEIJPMLBBEVAX-UHFFFAOYSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC1CC[NH+](CCCCn2ccnc2C)CC1 ZINC000830345823 587546872 /nfs/dbraw/zinc/54/68/72/587546872.db2.gz USTSCHBXNGAXEX-UHFFFAOYSA-N 1 0 245.370 2.317 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)CCC(C)C)CC1 ZINC000830345691 587547044 /nfs/dbraw/zinc/54/70/44/587547044.db2.gz NLLKAPJKECITHO-AWEZNQCLSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000830345722 587547072 /nfs/dbraw/zinc/54/70/72/587547072.db2.gz PGWGYGNKJLKRLU-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000830396843 587549732 /nfs/dbraw/zinc/54/97/32/587549732.db2.gz VTHIOEQKDZZUMG-HZPDHXFCSA-N 1 0 243.350 2.078 20 30 BEEDRO C=C(Cl)CSCC1CC[NH2+]CC1 ZINC000830470193 587552959 /nfs/dbraw/zinc/55/29/59/587552959.db2.gz FGSFZYKOTNAQIY-UHFFFAOYSA-N 1 0 205.754 2.472 20 30 BEEDRO C=C(C)CN(CC)C(=O)NCCCCCC[NH3+] ZINC000831248491 587593367 /nfs/dbraw/zinc/59/33/67/587593367.db2.gz HIGQWANDUPNHMP-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C1(C)C ZINC000831309546 587597462 /nfs/dbraw/zinc/59/74/62/587597462.db2.gz WCWFGHGHKNEJPO-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000831679530 587627413 /nfs/dbraw/zinc/62/74/13/587627413.db2.gz ZGXDWLKYKCUOJJ-MNOVXSKESA-N 1 0 238.718 2.168 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000832048316 587644029 /nfs/dbraw/zinc/64/40/29/587644029.db2.gz MXJMFKHADFILAV-KGLIPLIRSA-N 1 0 249.354 2.017 20 30 BEEDRO C=C(Cl)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000832187229 587649009 /nfs/dbraw/zinc/64/90/09/587649009.db2.gz JMRZXGALKMIHMG-NSHDSACASA-N 1 0 216.756 2.155 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000832565224 587666337 /nfs/dbraw/zinc/66/63/37/587666337.db2.gz POLGJFVBDOQHCE-QWRGUYRKSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CCn1ccnc1 ZINC000832721763 587679574 /nfs/dbraw/zinc/67/95/74/587679574.db2.gz NVHJFWDFESAVMV-UHFFFAOYSA-N 1 0 249.358 2.382 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC000832725405 587679955 /nfs/dbraw/zinc/67/99/55/587679955.db2.gz CVPXFYWYWBQELI-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000834903794 587769974 /nfs/dbraw/zinc/76/99/74/587769974.db2.gz SEWKYGMAPLXOIZ-DOMZBBRYSA-N 1 0 229.323 2.325 20 30 BEEDRO CCCNN=C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000834940996 587772077 /nfs/dbraw/zinc/77/20/77/587772077.db2.gz MCGPEWPQKKLBMN-OAHLLOKOSA-N 1 0 247.386 2.491 20 30 BEEDRO C[C@@H](CC#N)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834964591 587773156 /nfs/dbraw/zinc/77/31/56/587773156.db2.gz DPYGEUYFXFPIDS-JTQLQIEISA-N 1 0 242.326 2.201 20 30 BEEDRO C[C@H](CC#N)N[NH+]=C1CCCc2cc(N)ccc21 ZINC000834964592 587773163 /nfs/dbraw/zinc/77/31/63/587773163.db2.gz DPYGEUYFXFPIDS-SNVBAGLBSA-N 1 0 242.326 2.201 20 30 BEEDRO Cc1ccc(CNN=C2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000835009470 587777598 /nfs/dbraw/zinc/77/75/98/587777598.db2.gz WXULTOOIAYBOJJ-OAHLLOKOSA-N 1 0 243.354 2.309 20 30 BEEDRO C[C@H]1CC(=NNCc2ccccc2F)CC[N@@H+]1C ZINC000835011320 587777704 /nfs/dbraw/zinc/77/77/04/587777704.db2.gz LODYNJUPUVCPGZ-NSHDSACASA-N 1 0 249.333 2.385 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052946 587779780 /nfs/dbraw/zinc/77/97/80/587779780.db2.gz RELAGCRJUVUJBN-YBJDMEARSA-N 1 0 228.339 2.377 20 30 BEEDRO C[NH+](C)Cc1cccc(C(=O)OC(C)(C)C#N)c1 ZINC000835224437 587790537 /nfs/dbraw/zinc/79/05/37/587790537.db2.gz FBBFUZBNZKHLEW-UHFFFAOYSA-N 1 0 246.310 2.207 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC(C)(C)C ZINC000837229507 587860245 /nfs/dbraw/zinc/86/02/45/587860245.db2.gz AJIZGGKYIKFAKT-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[NH+](C)Cc1cccc(NC(=O)C#CC2CC2)c1 ZINC000837337163 587867402 /nfs/dbraw/zinc/86/74/02/587867402.db2.gz ANSFXWRGPJLOFD-UHFFFAOYSA-N 1 0 242.322 2.100 20 30 BEEDRO C(CC[C@@H]1CCO1)=[NH+]n1cnc2ccccc21 ZINC000841615625 587960346 /nfs/dbraw/zinc/96/03/46/587960346.db2.gz ADZDFVCTJUDUBL-LLVKDONJSA-N 1 0 229.283 2.439 20 30 BEEDRO CCCCCCCCCNC(=O)N(C)CC[NH3+] ZINC000841660787 587970204 /nfs/dbraw/zinc/97/02/04/587970204.db2.gz UMONIZMMEUWHGM-UHFFFAOYSA-N 1 0 243.395 2.337 20 30 BEEDRO CCCCCCCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000841864943 587976794 /nfs/dbraw/zinc/97/67/94/587976794.db2.gz VXXPHDJZRMCGPM-LBPRGKRZSA-N 1 0 243.395 2.241 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC1(C#N)CCC1 ZINC000841899662 587980158 /nfs/dbraw/zinc/98/01/58/587980158.db2.gz XQXVKEVWZHEBNT-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCCCCNC(=O)N(C)CCC[NH3+] ZINC000841902978 587982464 /nfs/dbraw/zinc/98/24/64/587982464.db2.gz IACDRJRMHNDIAC-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO C=CCCCCCCCNC(=O)N[C@H](C)C[NH3+] ZINC000841903842 587982488 /nfs/dbraw/zinc/98/24/88/587982488.db2.gz ASSDPVWLYJZCCH-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO Cc1cccc(C[NH2+]CC2(C#N)CCC2)c1O ZINC000841895795 587982663 /nfs/dbraw/zinc/98/26/63/587982663.db2.gz CEAVKCJMHGGPGO-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1C=[NH+]n1cnnc1 ZINC000842523139 588032596 /nfs/dbraw/zinc/03/25/96/588032596.db2.gz VELOWIQKTLLCGR-GHMZBOCLSA-N 1 0 206.293 2.328 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1C=[NH+]n1cnnc1 ZINC000842523140 588032814 /nfs/dbraw/zinc/03/28/14/588032814.db2.gz VELOWIQKTLLCGR-MNOVXSKESA-N 1 0 206.293 2.328 20 30 BEEDRO C#CCC(C)(C)c1nc([C@H]([NH3+])CC(C)C)no1 ZINC000842585483 588044371 /nfs/dbraw/zinc/04/43/71/588044371.db2.gz ASNJMVICCJIFIR-SNVBAGLBSA-N 1 0 235.331 2.416 20 30 BEEDRO C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]CCC#N ZINC000843100432 588080900 /nfs/dbraw/zinc/08/09/00/588080900.db2.gz HPWQGDFTAKMUAB-GXFFZTMASA-N 1 0 236.290 2.141 20 30 BEEDRO C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]CCC#N ZINC000843100433 588080994 /nfs/dbraw/zinc/08/09/94/588080994.db2.gz HPWQGDFTAKMUAB-MFKMUULPSA-N 1 0 236.290 2.141 20 30 BEEDRO C=CCCCc1nc(CC2CC[NH2+]CC2)no1 ZINC000843134631 588085590 /nfs/dbraw/zinc/08/55/90/588085590.db2.gz BNLGWIKQAOMXIQ-UHFFFAOYSA-N 1 0 235.331 2.120 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000843423992 588108022 /nfs/dbraw/zinc/10/80/22/588108022.db2.gz NNTZRXYSBIXNNS-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](C)COC)C1 ZINC000843422380 588108036 /nfs/dbraw/zinc/10/80/36/588108036.db2.gz DZWLCRHAIOZOBB-QWHCGFSZSA-N 1 0 209.333 2.004 20 30 BEEDRO C=C(Br)C[NH2+]Cc1ccccc1O ZINC000105453471 588173711 /nfs/dbraw/zinc/17/37/11/588173711.db2.gz UHLBZALRZQRIRL-UHFFFAOYSA-N 1 0 242.116 2.390 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000844205249 588173893 /nfs/dbraw/zinc/17/38/93/588173893.db2.gz UZEDQXCYFWGPAU-LBPRGKRZSA-N 1 0 236.359 2.134 20 30 BEEDRO C#CC[N@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)C1 ZINC000844372864 588188449 /nfs/dbraw/zinc/18/84/49/588188449.db2.gz HKPSJIBANNXTKE-AWEZNQCLSA-N 1 0 249.741 2.257 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](C)OCC12CCC2 ZINC000844421280 588190934 /nfs/dbraw/zinc/19/09/34/588190934.db2.gz GAJRRUBXSPWFCD-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(C)CON=C1C[N@H+](C(C)C)C[C@@H]1C ZINC000844618910 588208642 /nfs/dbraw/zinc/20/86/42/588208642.db2.gz NJPKOLJSGHGBAH-NSHDSACASA-N 1 0 210.321 2.295 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)OCCCO2)C1 ZINC000845963133 588251962 /nfs/dbraw/zinc/25/19/62/588251962.db2.gz LKKXRKMBNGSONM-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)OCCCO2)C1 ZINC000845963134 588251974 /nfs/dbraw/zinc/25/19/74/588251974.db2.gz LKKXRKMBNGSONM-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC000845986379 588252547 /nfs/dbraw/zinc/25/25/47/588252547.db2.gz UWMBBAAOEMLZRC-QWHCGFSZSA-N 1 0 248.374 2.441 20 30 BEEDRO CC[N@@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011772 588253546 /nfs/dbraw/zinc/25/35/46/588253546.db2.gz ZBMNSWXDQFJBBN-KGLIPLIRSA-N 1 0 249.402 2.390 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000846966562 588298923 /nfs/dbraw/zinc/29/89/23/588298923.db2.gz CBGXTUYJHVFSQD-CYBMUJFWSA-N 1 0 214.312 2.203 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000846993204 588300671 /nfs/dbraw/zinc/30/06/71/588300671.db2.gz MWNLJZDUWYYBQX-JGVFFNPUSA-N 1 0 221.131 2.462 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2CC(OCC)C2)C1 ZINC000847019932 588301734 /nfs/dbraw/zinc/30/17/34/588301734.db2.gz SWWPTHJDAHIZIU-HSBZDZAISA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000847019467 588302025 /nfs/dbraw/zinc/30/20/25/588302025.db2.gz QSFWQSWVXBEOKD-CYBMUJFWSA-N 1 0 224.307 2.403 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2C)C1 ZINC000847023228 588303221 /nfs/dbraw/zinc/30/32/21/588303221.db2.gz BMFJSUBAGXTKMG-GOEBONIOSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2C)C1 ZINC000847023230 588303346 /nfs/dbraw/zinc/30/33/46/588303346.db2.gz BMFJSUBAGXTKMG-HOCLYGCPSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000847028680 588304157 /nfs/dbraw/zinc/30/41/57/588304157.db2.gz JZMYEVFMUSYGFW-AWEZNQCLSA-N 1 0 229.323 2.411 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCc2cccc(C)n2)C1 ZINC000847033668 588304555 /nfs/dbraw/zinc/30/45/55/588304555.db2.gz FZLWGUQVKXAEGD-AWEZNQCLSA-N 1 0 228.339 2.278 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000847032976 588304558 /nfs/dbraw/zinc/30/45/58/588304558.db2.gz ZMCBCWQSSWITDL-DOMZBBRYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000847074102 588306026 /nfs/dbraw/zinc/30/60/26/588306026.db2.gz KFCPGVLUUAHRMI-ZDUSSCGKSA-N 1 0 239.359 2.356 20 30 BEEDRO C#CCC[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847105941 588306319 /nfs/dbraw/zinc/30/63/19/588306319.db2.gz PCRJTNZVVWZWCP-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CC[N@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000847101638 588306419 /nfs/dbraw/zinc/30/64/19/588306419.db2.gz WCDULYFHFIEUFN-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO CCCCCCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000107248803 588344430 /nfs/dbraw/zinc/34/44/30/588344430.db2.gz HBACXTFJIIOXRL-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000107248807 588344455 /nfs/dbraw/zinc/34/44/55/588344455.db2.gz HBACXTFJIIOXRL-GFCCVEGCSA-N 1 0 226.364 2.215 20 30 BEEDRO CC(C)CNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848408269 588379117 /nfs/dbraw/zinc/37/91/17/588379117.db2.gz ZOWIVKRCUVAXJM-ZDUSSCGKSA-N 1 0 223.364 2.236 20 30 BEEDRO FC(F)(F)CNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848408701 588379193 /nfs/dbraw/zinc/37/91/93/588379193.db2.gz WMCUXPIHBTZULE-JTQLQIEISA-N 1 0 249.280 2.143 20 30 BEEDRO C(ON=C1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000848409520 588379554 /nfs/dbraw/zinc/37/95/54/588379554.db2.gz BECJMMYVJBXEJR-CYBMUJFWSA-N 1 0 222.332 2.417 20 30 BEEDRO CSCCON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848411441 588380660 /nfs/dbraw/zinc/38/06/60/588380660.db2.gz XIBBCRGUWCDKIE-GFCCVEGCSA-N 1 0 242.388 2.370 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)CS1 ZINC000848548337 588395694 /nfs/dbraw/zinc/39/56/94/588395694.db2.gz VEUVPSJDXGHFHB-ZWNOBZJWSA-N 1 0 247.367 2.327 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000848923485 588421481 /nfs/dbraw/zinc/42/14/81/588421481.db2.gz LVIBIDPUKKVOBN-ZDUSSCGKSA-N 1 0 241.334 2.467 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000848923377 588421499 /nfs/dbraw/zinc/42/14/99/588421499.db2.gz CSQYDOLGVMQZAL-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1 ZINC000848928759 588421758 /nfs/dbraw/zinc/42/17/58/588421758.db2.gz MZKBZOWYBGOKEY-GFCCVEGCSA-N 1 0 229.323 2.013 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCCSc2ccccc2)N1 ZINC000848981078 588423849 /nfs/dbraw/zinc/42/38/49/588423849.db2.gz HOAHMKWKRHBPEA-NSHDSACASA-N 1 0 249.383 2.106 20 30 BEEDRO C[NH+]=C(NCCCCc1ccccc1)NC1CC1 ZINC000848983258 588424541 /nfs/dbraw/zinc/42/45/41/588424541.db2.gz GWZAWYODOYITEO-UHFFFAOYSA-N 1 0 245.370 2.337 20 30 BEEDRO CN(C)C(=[NH+]CC(C)(C)C(F)(F)F)N(C)C ZINC000848989023 588426799 /nfs/dbraw/zinc/42/67/99/588426799.db2.gz TUXKHOQKELQCMX-UHFFFAOYSA-N 1 0 239.285 2.054 20 30 BEEDRO CCNC(NCC12CCC(CC1)C2)=[NH+]CC ZINC000848994276 588428343 /nfs/dbraw/zinc/42/83/43/588428343.db2.gz MFXNKYVDKKKWQW-UHFFFAOYSA-N 1 0 223.364 2.142 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](C)C#N)c1 ZINC000849003720 588431839 /nfs/dbraw/zinc/43/18/39/588431839.db2.gz BCJOBHXFVSSGDA-LLVKDONJSA-N 1 0 230.315 2.399 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cccc2cccnc21 ZINC000849008260 588433426 /nfs/dbraw/zinc/43/34/26/588433426.db2.gz BFYMJJOOWSEYJL-UHFFFAOYSA-N 1 0 240.310 2.035 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000849010577 588434626 /nfs/dbraw/zinc/43/46/26/588434626.db2.gz SOUCJTQOKNPZOO-UONOGXRCSA-N 1 0 243.354 2.308 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cccc(Cl)c1 ZINC000849016099 588437140 /nfs/dbraw/zinc/43/71/40/588437140.db2.gz YGUKAOZWVRBHGU-UHFFFAOYSA-N 1 0 223.707 2.140 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000849026740 588440844 /nfs/dbraw/zinc/44/08/44/588440844.db2.gz QGMOTQGRXFIGCD-UNXYVOJBSA-N 1 0 236.363 2.229 20 30 BEEDRO C=CCCCCCCCNC(NC)=[NH+]C ZINC000849029545 588441856 /nfs/dbraw/zinc/44/18/56/588441856.db2.gz ZZJQNEICOVSEOO-UHFFFAOYSA-N 1 0 211.353 2.308 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC(C)(C)CCC#N ZINC000849028984 588441962 /nfs/dbraw/zinc/44/19/62/588441962.db2.gz SSIZYFKLIIZFQP-UHFFFAOYSA-N 1 0 224.352 2.183 20 30 BEEDRO C=CCCCCCCCNC1=[NH+]C[C@H](C)N1 ZINC000849029368 588442045 /nfs/dbraw/zinc/44/20/45/588442045.db2.gz SOEFMUHKPNGHSZ-LBPRGKRZSA-N 1 0 223.364 2.450 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)C(C)(C)C ZINC000849031039 588442861 /nfs/dbraw/zinc/44/28/61/588442861.db2.gz SCVSHCHNWLGRLD-UHFFFAOYSA-N 1 0 211.353 2.359 20 30 BEEDRO C[NH+]=C(NC[C@H]1CCCC1(C)C)NC1CC1 ZINC000849032547 588443517 /nfs/dbraw/zinc/44/35/17/588443517.db2.gz LGUZMPOBAVLGOM-SNVBAGLBSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CCC1(CNC(=[NH2+])NC2CC2)CCCC1 ZINC000849038467 588446390 /nfs/dbraw/zinc/44/63/90/588446390.db2.gz PFBJXQQIUXBEOG-UHFFFAOYSA-N 1 0 221.348 2.399 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])NCCC(C)C)c1 ZINC000849038519 588446541 /nfs/dbraw/zinc/44/65/41/588446541.db2.gz QPBLPJOIOVJKKK-UHFFFAOYSA-N 1 0 243.354 2.328 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@@H]1C[C@@]1(C)C(C)C ZINC000849040789 588447609 /nfs/dbraw/zinc/44/76/09/588447609.db2.gz SQCFKXWJHOXUTK-OCCSQVGLSA-N 1 0 249.358 2.379 20 30 BEEDRO CNC(NCc1ccc(C)c2ccccc12)=[NH+]C ZINC000849042073 588448362 /nfs/dbraw/zinc/44/83/62/588448362.db2.gz XLDHICLUSBTGND-UHFFFAOYSA-N 1 0 241.338 2.443 20 30 BEEDRO Cc1ccc([C@@H]2C[C@H]2[NH+]=C(N(C)C)N(C)C)cc1 ZINC000849045316 588449453 /nfs/dbraw/zinc/44/94/53/588449453.db2.gz IWGUOLMXLYKLTM-UONOGXRCSA-N 1 0 245.370 2.330 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC(C)C)c1ccccc1 ZINC000849045025 588449620 /nfs/dbraw/zinc/44/96/20/588449620.db2.gz ADPWJHBRGDABTB-CYBMUJFWSA-N 1 0 229.327 2.131 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CC2CCC1CC2 ZINC000849044980 588449662 /nfs/dbraw/zinc/44/96/62/588449662.db2.gz OMBUTJVTSGWNDI-MCIGGMRASA-N 1 0 221.348 2.113 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CCCCC1)c1ccccc1 ZINC000849045746 588450013 /nfs/dbraw/zinc/45/00/13/588450013.db2.gz PNZXKRZATCMQFD-CQSZACIVSA-N 1 0 241.338 2.371 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC[C@]1(C)C[C@]1(F)Cl ZINC000849047424 588450764 /nfs/dbraw/zinc/45/07/64/588450764.db2.gz MEZLJMYKHMCDHH-GHMZBOCLSA-N 1 0 247.745 2.381 20 30 BEEDRO C=CCNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849080295 588452144 /nfs/dbraw/zinc/45/21/44/588452144.db2.gz HFBAERYDDGNWIW-UHFFFAOYSA-N 1 0 211.215 2.087 20 30 BEEDRO C#CCCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000850162314 588522530 /nfs/dbraw/zinc/52/25/30/588522530.db2.gz HBPFEZGJMNTXIH-UHFFFAOYSA-N 1 0 231.343 2.191 20 30 BEEDRO COc1cncc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000850314062 588536513 /nfs/dbraw/zinc/53/65/13/588536513.db2.gz NFSBEBGINXHZFM-AAEUAGOBSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000850377377 588540351 /nfs/dbraw/zinc/54/03/51/588540351.db2.gz CMJCAFMOUMSNKE-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000850394017 588542961 /nfs/dbraw/zinc/54/29/61/588542961.db2.gz IVKNTHABDCMWAX-NWDGAFQWSA-N 1 0 217.316 2.311 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2CCC(O)CC2)cc1 ZINC000850395254 588543856 /nfs/dbraw/zinc/54/38/56/588543856.db2.gz PTHWSDJLZICOEW-UHFFFAOYSA-N 1 0 243.350 2.309 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(C)OCCO1 ZINC000850449907 588547738 /nfs/dbraw/zinc/54/77/38/588547738.db2.gz YYTRRUGWJNBVQQ-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1[C@@H]2CCC[C@@H]2C1(C)C ZINC000850471760 588549315 /nfs/dbraw/zinc/54/93/15/588549315.db2.gz UIVDKKWZSTYILZ-ILXRZTDVSA-N 1 0 248.414 2.356 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCN(C)OC ZINC000850478037 588549542 /nfs/dbraw/zinc/54/95/42/588549542.db2.gz MUUPYDRONOUFPO-QWHCGFSZSA-N 1 0 226.364 2.204 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CCN(C)OC ZINC000850480552 588550892 /nfs/dbraw/zinc/55/08/92/588550892.db2.gz STDIMUKWFBKRJW-GFCCVEGCSA-N 1 0 214.353 2.204 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850571929 588561407 /nfs/dbraw/zinc/56/14/07/588561407.db2.gz FIELLDZECKIEAD-BXUZGUMPSA-N 1 0 247.338 2.209 20 30 BEEDRO CC[NH+](CC)CC#C[C@@H](C)OC(=O)CCCF ZINC000850897753 588574832 /nfs/dbraw/zinc/57/48/32/588574832.db2.gz BZCPKWNWKAGUBT-GFCCVEGCSA-N 1 0 243.322 2.013 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1ccccc1C ZINC000851720075 588616692 /nfs/dbraw/zinc/61/66/92/588616692.db2.gz ZLOKSIRRDRMTGA-UHFFFAOYSA-N 1 0 231.339 2.467 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000851727553 588618424 /nfs/dbraw/zinc/61/84/24/588618424.db2.gz QSPOBHHAEIDJPG-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1COC(C)(C)O1)C(C)C ZINC000851730346 588619107 /nfs/dbraw/zinc/61/91/07/588619107.db2.gz CQIYYHNXNANMBY-LBPRGKRZSA-N 1 0 227.348 2.424 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)NCC(C)C)C(C)C ZINC000851731247 588619421 /nfs/dbraw/zinc/61/94/21/588619421.db2.gz NAMKPFCOUVOYDN-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000851733762 588620012 /nfs/dbraw/zinc/62/00/12/588620012.db2.gz GEMZRNPGAGHQHS-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H]1CC(C)C ZINC000851742377 588621443 /nfs/dbraw/zinc/62/14/43/588621443.db2.gz SKAAWZCMQVTNSO-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000851754036 588623504 /nfs/dbraw/zinc/62/35/04/588623504.db2.gz ZFFACPCANZWLDV-CQSZACIVSA-N 1 0 247.313 2.265 20 30 BEEDRO C#CCOCC[N@@H+]1CCCc2sccc2C1 ZINC000851764057 588624651 /nfs/dbraw/zinc/62/46/51/588624651.db2.gz ZZUXEBQWTMZGNB-UHFFFAOYSA-N 1 0 235.352 2.146 20 30 BEEDRO C=CC1CC[NH+]([C@@H]2CC[C@@H](OC)C2)CC1 ZINC000851768180 588625183 /nfs/dbraw/zinc/62/51/83/588625183.db2.gz GOZLHJAQCVZFFJ-CHWSQXEVSA-N 1 0 209.333 2.452 20 30 BEEDRO C#CCOCC[N@@H+]1CCC2(C1)CCCCC2 ZINC000851784303 588628201 /nfs/dbraw/zinc/62/82/01/588628201.db2.gz KAXOAWYBBVXGGY-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@@H](C)CCC[C@H]1C ZINC000851786168 588628583 /nfs/dbraw/zinc/62/85/83/588628583.db2.gz QZGJOZFGSKUUKS-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H](OC)C1CCCCC1 ZINC000851793759 588629404 /nfs/dbraw/zinc/62/94/04/588629404.db2.gz IWCMPQVOIVKQJG-HNNXBMFYSA-N 1 0 233.355 2.150 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](OC)C1CCCC1 ZINC000851799000 588630491 /nfs/dbraw/zinc/63/04/91/588630491.db2.gz KAVOSIXBLMHWEX-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@@H+]1CCCC12CCCCC2 ZINC000851872149 588637666 /nfs/dbraw/zinc/63/76/66/588637666.db2.gz ZYBVMVVUDNRRLJ-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CCOCC[N@H+]1C[C@@H](C(F)(F)F)CC[C@@H]1C ZINC000851913510 588643056 /nfs/dbraw/zinc/64/30/56/588643056.db2.gz YGDDVDFKIOOHAW-QWRGUYRKSA-N 1 0 249.276 2.299 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000851913507 588643295 /nfs/dbraw/zinc/64/32/95/588643295.db2.gz YGDDVDFKIOOHAW-GHMZBOCLSA-N 1 0 249.276 2.299 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)[C@@H]2CCCC[C@@H]21 ZINC000851920819 588644091 /nfs/dbraw/zinc/64/40/91/588644091.db2.gz SGJCLUJLEZHZAR-IHRRRGAJSA-N 1 0 221.344 2.147 20 30 BEEDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@](C)(C#N)C2)C1 ZINC000851922577 588644372 /nfs/dbraw/zinc/64/43/72/588644372.db2.gz JRBHZJLLNFUESQ-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCN(CC[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000851937891 588645726 /nfs/dbraw/zinc/64/57/26/588645726.db2.gz DOYOBOANILAZPV-KBPBESRZSA-N 1 0 234.387 2.062 20 30 BEEDRO C#C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCO1 ZINC000851949815 588647182 /nfs/dbraw/zinc/64/71/82/588647182.db2.gz JTGPNEBPRDINGQ-UONOGXRCSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCCC[C@H]1C ZINC000851966703 588648395 /nfs/dbraw/zinc/64/83/95/588648395.db2.gz RGNUETDOJYQWJP-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](C(C)C)C1 ZINC000851968546 588649014 /nfs/dbraw/zinc/64/90/14/588649014.db2.gz ZBYGSIORRIJUTH-CYBMUJFWSA-N 1 0 209.333 2.004 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000851990138 588652621 /nfs/dbraw/zinc/65/26/21/588652621.db2.gz OKGOMIFWOIWNQK-DGCLKSJQSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCOCC[N@H+](CC1CC1)CC1CCC1 ZINC000852002277 588654114 /nfs/dbraw/zinc/65/41/14/588654114.db2.gz BMIMOIDCQAPMDI-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000852098313 588662445 /nfs/dbraw/zinc/66/24/45/588662445.db2.gz JPXANSTZUTYPLH-OAHLLOKOSA-N 1 0 244.338 2.041 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCCCn1cccn1 ZINC000852100639 588662564 /nfs/dbraw/zinc/66/25/64/588662564.db2.gz YXAZQDYRFSMQSD-AWEZNQCLSA-N 1 0 233.359 2.445 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC[S@](=O)c1ccccc1 ZINC000852099441 588662652 /nfs/dbraw/zinc/66/26/52/588662652.db2.gz MCOGAHALHSTOMT-PBHICJAKSA-N 1 0 249.379 2.186 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCC(=O)OC(C)(C)C ZINC000852100507 588662706 /nfs/dbraw/zinc/66/27/06/588662706.db2.gz HNFIALMQTDWXFH-AWEZNQCLSA-N 1 0 239.359 2.500 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(OCC)cn1 ZINC000852100965 588662935 /nfs/dbraw/zinc/66/29/35/588662935.db2.gz BWJFJSIJIQSNED-CQSZACIVSA-N 1 0 232.327 2.372 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1c(C)noc1C ZINC000852102364 588663058 /nfs/dbraw/zinc/66/30/58/588663058.db2.gz XCKCXAUVZSKMRW-CYBMUJFWSA-N 1 0 220.316 2.225 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCCC(=O)OCC ZINC000852101968 588663206 /nfs/dbraw/zinc/66/32/06/588663206.db2.gz IWNAJPHYOLJSPO-ZDUSSCGKSA-N 1 0 225.332 2.111 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CCC(C)C ZINC000852103356 588663321 /nfs/dbraw/zinc/66/33/21/588663321.db2.gz FKBJKYJKEDYZLD-STQMWFEESA-N 1 0 211.349 2.175 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CCC(C)C ZINC000852103355 588663479 /nfs/dbraw/zinc/66/34/79/588663479.db2.gz FKBJKYJKEDYZLD-QWHCGFSZSA-N 1 0 211.349 2.175 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCSCCOC ZINC000852103411 588663484 /nfs/dbraw/zinc/66/34/84/588663484.db2.gz HEAGMJHXSPFWJR-LBPRGKRZSA-N 1 0 229.389 2.148 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC1(Br)CC1 ZINC000852103278 588663501 /nfs/dbraw/zinc/66/35/01/588663501.db2.gz CQUSYAKVWIRAFR-SECBINFHSA-N 1 0 230.149 2.305 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(C3CC3)no2)CC1 ZINC000852207939 588672031 /nfs/dbraw/zinc/67/20/31/588672031.db2.gz PZOFXZUZBVZPJI-UHFFFAOYSA-N 1 0 230.311 2.397 20 30 BEEDRO N#Cc1ccc(CC[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000852212841 588673019 /nfs/dbraw/zinc/67/30/19/588673019.db2.gz FDAGSQMIIDHVNO-BETUJISGSA-N 1 0 248.276 2.298 20 30 BEEDRO C=CCN(Cc1cnoc1C)[C@H](C)COC ZINC000852356631 588679504 /nfs/dbraw/zinc/67/95/04/588679504.db2.gz KEFKZFBOHZPLPF-SNVBAGLBSA-N 1 0 224.304 2.006 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC000852408824 588680997 /nfs/dbraw/zinc/68/09/97/588680997.db2.gz BHPCWMYQQVMEQY-UKRRQHHQSA-N 1 0 246.354 2.403 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000852410176 588681224 /nfs/dbraw/zinc/68/12/24/588681224.db2.gz JJGVBEZFVWDHGE-CYBMUJFWSA-N 1 0 248.374 2.395 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000852410090 588681467 /nfs/dbraw/zinc/68/14/67/588681467.db2.gz HRQQVVZWVSFCGL-AAEUAGOBSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCN(CCS(=O)(=O)C(C)C)C(C)(C)C ZINC000852554414 588689671 /nfs/dbraw/zinc/68/96/71/588689671.db2.gz LUPNQUJLAUWROS-UHFFFAOYSA-N 1 0 247.404 2.096 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCN(C)C(=O)OC ZINC000852568596 588690995 /nfs/dbraw/zinc/69/09/95/588690995.db2.gz KQXAXVFNGVEZBW-UHFFFAOYSA-N 1 0 242.363 2.363 20 30 BEEDRO C#CCCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000852631616 588693097 /nfs/dbraw/zinc/69/30/97/588693097.db2.gz XKDYGMFWEGRSJC-UHFFFAOYSA-N 1 0 219.328 2.235 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCC(F)CC1 ZINC000852651174 588694160 /nfs/dbraw/zinc/69/41/60/588694160.db2.gz IZOJKBFZVYNPQQ-ZFDZMSFRSA-N 1 0 242.338 2.421 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000852654625 588694233 /nfs/dbraw/zinc/69/42/33/588694233.db2.gz LQKZMXCYPHFHKO-OAHLLOKOSA-N 1 0 228.339 2.220 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(OC)OC ZINC000852687070 588696074 /nfs/dbraw/zinc/69/60/74/588696074.db2.gz FVWDUEAKTBUFQE-TXEJJXNPSA-N 1 0 225.332 2.178 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCO[C@@H](C)C#N ZINC000852687642 588696114 /nfs/dbraw/zinc/69/61/14/588696114.db2.gz MEPBUFUNAHJGDJ-RWMBFGLXSA-N 1 0 220.316 2.098 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H](CC(C)C)OC ZINC000852750318 588698802 /nfs/dbraw/zinc/69/88/02/588698802.db2.gz PTZNYRQZZLEYQY-CQSZACIVSA-N 1 0 241.375 2.019 20 30 BEEDRO C#CCC[N@@H+](CCOC)CCC(C)(C)C ZINC000852748498 588699615 /nfs/dbraw/zinc/69/96/15/588699615.db2.gz BHECIOIOSINMCJ-UHFFFAOYSA-N 1 0 211.349 2.394 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000852749982 588699954 /nfs/dbraw/zinc/69/99/54/588699954.db2.gz KDKJPNUZYVWKJE-QLFBSQMISA-N 1 0 235.371 2.394 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)C=C2CC[NH2+]CC2)C1 ZINC000852904195 588712647 /nfs/dbraw/zinc/71/26/47/588712647.db2.gz IIWZAQQDTCQBSZ-CQSZACIVSA-N 1 0 248.370 2.111 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000861638524 589171936 /nfs/dbraw/zinc/17/19/36/589171936.db2.gz KEBILPJULBYZTN-GFCCVEGCSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000861648449 589172947 /nfs/dbraw/zinc/17/29/47/589172947.db2.gz WQLXUZZDIIUPJV-NEPJUHHUSA-N 1 0 243.395 2.382 20 30 BEEDRO C#CC[N@@H+](CC#CC)Cc1cccc2n[nH]cc21 ZINC000862246336 589196849 /nfs/dbraw/zinc/19/68/49/589196849.db2.gz FTONOIBGGXXJCL-UHFFFAOYSA-N 1 0 237.306 2.021 20 30 BEEDRO C#CC[N@H+](Cc1cccc2n[nH]cc21)C1CC1 ZINC000862326862 589201066 /nfs/dbraw/zinc/20/10/66/589201066.db2.gz UZYVVEMMYRZMIM-UHFFFAOYSA-N 1 0 225.295 2.161 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnc(F)c1C)C(C)C ZINC000862362770 589201996 /nfs/dbraw/zinc/20/19/96/589201996.db2.gz FUQZHBJFTFIQOL-GFCCVEGCSA-N 1 0 220.291 2.277 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)C(C)(C)C ZINC000862369289 589203279 /nfs/dbraw/zinc/20/32/79/589203279.db2.gz ROQDPUNFMGWTSO-QWHCGFSZSA-N 1 0 236.403 2.497 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCC(CC(=O)OC)CC1 ZINC000862362703 589204234 /nfs/dbraw/zinc/20/42/34/589204234.db2.gz CYRAULXYCPKJSZ-CPCZMJQVSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000862418999 589211979 /nfs/dbraw/zinc/21/19/79/589211979.db2.gz MVZPXGTZSZSUSM-IPOQPSJVSA-N 1 0 247.382 2.439 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC000862442107 589213489 /nfs/dbraw/zinc/21/34/89/589213489.db2.gz AODFDAMAIQOWOY-GFCCVEGCSA-N 1 0 215.296 2.237 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000862442991 589213503 /nfs/dbraw/zinc/21/35/03/589213503.db2.gz KDHOFLPDRCJRHE-LLVKDONJSA-N 1 0 249.383 2.054 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000862443492 589213701 /nfs/dbraw/zinc/21/37/01/589213701.db2.gz PPVCHKDEHHEBRF-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000862443619 589214047 /nfs/dbraw/zinc/21/40/47/589214047.db2.gz REBBORRCSCXHQJ-CQSZACIVSA-N 1 0 224.307 2.403 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnn(CCC)c2)C1 ZINC000862444898 589214215 /nfs/dbraw/zinc/21/42/15/589214215.db2.gz ILHNSBXKQWNUPF-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccncc2C)C1 ZINC000862447921 589215076 /nfs/dbraw/zinc/21/50/76/589215076.db2.gz SJKDLGBNDBWASN-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@H](C)C1 ZINC000862547309 589220036 /nfs/dbraw/zinc/22/00/36/589220036.db2.gz AOXDUOUZSGQLIU-XQQFMLRXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)c1ccccn1 ZINC000862547598 589220209 /nfs/dbraw/zinc/22/02/09/589220209.db2.gz KNFKDNHHJWGMSX-CHWSQXEVSA-N 1 0 232.327 2.161 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CC(C(F)F)C1 ZINC000862548871 589220339 /nfs/dbraw/zinc/22/03/39/589220339.db2.gz PLCALJJEVZQBKE-YVNMAJEFSA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)C1CCSCC1 ZINC000862551870 589220664 /nfs/dbraw/zinc/22/06/64/589220664.db2.gz ZWZAHFGAABQXJG-WCQYABFASA-N 1 0 241.400 2.146 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](COC)CC(C)(C)C ZINC000862550144 589220809 /nfs/dbraw/zinc/22/08/09/589220809.db2.gz IXLZVYSMWNTJTN-OLZOCXBDSA-N 1 0 241.375 2.066 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862791786 589241543 /nfs/dbraw/zinc/24/15/43/589241543.db2.gz HQXNKHBSFXQMPR-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)CC1CCOCC1 ZINC000119101788 589242273 /nfs/dbraw/zinc/24/22/73/589242273.db2.gz HHEXDMVJLHFGBN-LBPRGKRZSA-N 1 0 241.400 2.148 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000119103797 589242367 /nfs/dbraw/zinc/24/23/67/589242367.db2.gz NRIUIYJSDBABNN-OAHLLOKOSA-N 1 0 245.391 2.500 20 30 BEEDRO C[N@@H+]1CCC(N=Nc2ccccn2)CC1(C)C ZINC000863067988 589253908 /nfs/dbraw/zinc/25/39/08/589253908.db2.gz SAWYLSREFOCZJU-UHFFFAOYSA-N 1 0 232.331 2.354 20 30 BEEDRO C=C[C@@H](C)ON=C1CC[N@H+](C)C(C)(C)C1 ZINC000863122971 589260567 /nfs/dbraw/zinc/26/05/67/589260567.db2.gz AXRVLVUKFRBLGF-SNVBAGLBSA-N 1 0 210.321 2.438 20 30 BEEDRO Cc1c[nH+]ccc1NN=Cc1nccn1C(C)C ZINC000863157733 589263924 /nfs/dbraw/zinc/26/39/24/589263924.db2.gz HARAWLPZMQFDKF-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO CC(=NNc1cc[nH+]c(C)c1)c1scnc1C ZINC000863158447 589264152 /nfs/dbraw/zinc/26/41/52/589264152.db2.gz BRKPJEWTUVUBJX-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO CCc1ncc(C=NNc2cc[nH+]c(C)c2)s1 ZINC000863159538 589264157 /nfs/dbraw/zinc/26/41/57/589264157.db2.gz VXZUWLXBUYMABE-UHFFFAOYSA-N 1 0 246.339 2.277 20 30 BEEDRO CCc1cnc(C=NNc2cc[nH+]c(C)c2)s1 ZINC000863159737 589264718 /nfs/dbraw/zinc/26/47/18/589264718.db2.gz ZLTZOJIOOWQVBR-UHFFFAOYSA-N 1 0 246.339 2.277 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000863942962 589328660 /nfs/dbraw/zinc/32/86/60/589328660.db2.gz HVMXZYNCIILOPJ-STQMWFEESA-N 1 0 238.375 2.140 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000864467423 589371763 /nfs/dbraw/zinc/37/17/63/589371763.db2.gz TVTZYSCWUVSIIE-TVYUQYBPSA-N 1 0 245.301 2.022 20 30 BEEDRO C=CCCCCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864468770 589372592 /nfs/dbraw/zinc/37/25/92/589372592.db2.gz IWXMBHQPDSACRP-MNOVXSKESA-N 1 0 209.337 2.255 20 30 BEEDRO CCN[NH+]=Cc1ccc(N(CC)CC)cc1O ZINC000864899691 589400212 /nfs/dbraw/zinc/40/02/12/589400212.db2.gz YPCJHOSIPUOOMS-UHFFFAOYSA-N 1 0 235.331 2.182 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CC1CC1 ZINC000865409989 589434452 /nfs/dbraw/zinc/43/44/52/589434452.db2.gz CUULLELMQZIFSI-UHFFFAOYSA-N 1 0 229.327 2.124 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865469465 589438488 /nfs/dbraw/zinc/43/84/88/589438488.db2.gz OXCGXVJTWSGTET-LMWSTFAQSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865547923 589445407 /nfs/dbraw/zinc/44/54/07/589445407.db2.gz PLERDTHRZZCFSE-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865557689 589446108 /nfs/dbraw/zinc/44/61/08/589446108.db2.gz LVVLFCFGPAGGRW-UHFFFAOYSA-N 1 0 229.327 2.290 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CCC)CCO)cc1 ZINC000865662565 589455112 /nfs/dbraw/zinc/45/51/12/589455112.db2.gz BISXHXSVLPXZSJ-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO C#CCN(C)c1cc[nH+]cc1C(F)(F)F ZINC000865720609 589458318 /nfs/dbraw/zinc/45/83/18/589458318.db2.gz DJYJVIQEUNFKAX-UHFFFAOYSA-N 1 0 214.190 2.170 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1ccnn1C ZINC000865838700 589464270 /nfs/dbraw/zinc/46/42/70/589464270.db2.gz NCCISFZPRVNFGG-VIFPVBQESA-N 1 0 246.339 2.204 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccoc1)C2 ZINC000865847437 589464637 /nfs/dbraw/zinc/46/46/37/589464637.db2.gz DYMMIRGTFGVKDV-HNNXBMFYSA-N 1 0 238.290 2.408 20 30 BEEDRO C#CCCCC[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000866305154 589485363 /nfs/dbraw/zinc/48/53/63/589485363.db2.gz NJCQKQOKOXBGCK-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000866404603 589490567 /nfs/dbraw/zinc/49/05/67/589490567.db2.gz VUAZMASDGPOJEM-TUAOUCFPSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000866446894 589493314 /nfs/dbraw/zinc/49/33/14/589493314.db2.gz XXMVMJWSBTXDNT-BSCCGWMCSA-N 1 0 221.344 2.354 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000866472675 589495028 /nfs/dbraw/zinc/49/50/28/589495028.db2.gz CQUYOQIGHPSKNB-PWSUYJOCSA-N 1 0 233.290 2.393 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CCC2)[C@H]2CCOC2)C1 ZINC000866511645 589498716 /nfs/dbraw/zinc/49/87/16/589498716.db2.gz DTXZAOCNIDBFBL-UQOMUDLDSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000866539447 589499579 /nfs/dbraw/zinc/49/95/79/589499579.db2.gz LXZVGIXWCQKMSJ-MXAVVETBSA-N 1 0 248.370 2.331 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1ccnn1C ZINC000866612607 589504665 /nfs/dbraw/zinc/50/46/65/589504665.db2.gz ABMVIIGIQKPNJM-QJPTWQEYSA-N 1 0 232.331 2.153 20 30 BEEDRO CC[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866614528 589505010 /nfs/dbraw/zinc/50/50/10/589505010.db2.gz KEVLFZOJKYOXDZ-IINYFYTJSA-N 1 0 214.312 2.414 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866616800 589505279 /nfs/dbraw/zinc/50/52/79/589505279.db2.gz BVCRWKYKNYVBQY-VCTAVGKDSA-N 1 0 226.323 2.414 20 30 BEEDRO CC[C@H](COC)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617816 589505393 /nfs/dbraw/zinc/50/53/93/589505393.db2.gz PVOKRJHSEIHYPE-HUUCEWRRSA-N 1 0 244.338 2.040 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617268 589505501 /nfs/dbraw/zinc/50/55/01/589505501.db2.gz GILYRXHFQSFKOB-IAQYHMDHSA-N 1 0 244.338 2.040 20 30 BEEDRO CC[C@H](COC)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617814 589505513 /nfs/dbraw/zinc/50/55/13/589505513.db2.gz PVOKRJHSEIHYPE-CABCVRRESA-N 1 0 244.338 2.040 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617511 589505576 /nfs/dbraw/zinc/50/55/76/589505576.db2.gz KNWSFMOCXIPTQS-FIXISWKDSA-N 1 0 244.338 2.038 20 30 BEEDRO CCCCCCCN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000122159217 589557763 /nfs/dbraw/zinc/55/77/63/589557763.db2.gz ZAOXYIRJULEMKM-CHWSQXEVSA-N 1 0 228.380 2.005 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000122992411 589647972 /nfs/dbraw/zinc/64/79/72/589647972.db2.gz BXPQPIILARFJBS-SNVBAGLBSA-N 1 0 226.279 2.052 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000123085743 589661236 /nfs/dbraw/zinc/66/12/36/589661236.db2.gz IELVAMQNEQYKFX-QWRGUYRKSA-N 1 0 245.322 2.130 20 30 BEEDRO C#CCCCCC(=O)O[C@H](CC)C[NH+](C)C ZINC000870549926 589674538 /nfs/dbraw/zinc/67/45/38/589674538.db2.gz KJJYNVHIKWCSGW-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CCCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990240 589708091 /nfs/dbraw/zinc/70/80/91/589708091.db2.gz CLMKJUYCJSMTBX-AWEZNQCLSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCCc1nc(C2C[C@H]3CC[C@@H](C2)[NH2+]3)no1 ZINC000871796606 589820111 /nfs/dbraw/zinc/82/01/11/589820111.db2.gz BDGCPKFKPLDUHK-FGWVZKOKSA-N 1 0 233.315 2.186 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871884492 589827680 /nfs/dbraw/zinc/82/76/80/589827680.db2.gz YMWJSMGADUOVCD-JSGCOSHPSA-N 1 0 244.338 2.323 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@H]1CCCS1 ZINC000871918273 589833335 /nfs/dbraw/zinc/83/33/35/589833335.db2.gz NQYUPVHALVXTNB-VXGBXAGGSA-N 1 0 237.372 2.305 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872086139 589867179 /nfs/dbraw/zinc/86/71/79/589867179.db2.gz SMFPHYRBLYWZMD-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)CCC(F)(F)F ZINC000872087144 589867784 /nfs/dbraw/zinc/86/77/84/589867784.db2.gz BCEQMMOGTDIECX-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127248 589876716 /nfs/dbraw/zinc/87/67/16/589876716.db2.gz RMRVZUFLKWTQRC-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC1 ZINC000872139319 589880363 /nfs/dbraw/zinc/88/03/63/589880363.db2.gz BSINKYWFFNLUPJ-TUVASFSCSA-N 1 0 246.398 2.393 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(=O)[nH]n2)CC1 ZINC000872139535 589880596 /nfs/dbraw/zinc/88/05/96/589880596.db2.gz LFVJRAYSGJQUKQ-SRVKXCTJSA-N 1 0 245.326 2.025 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CN(C3CC3)C[C@H]2C)CC1 ZINC000872140250 589881356 /nfs/dbraw/zinc/88/13/56/589881356.db2.gz HIEZBQSRWKWRJU-IXYNUQLISA-N 1 0 246.398 2.251 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@H](O)C1CC1 ZINC000872243402 589899249 /nfs/dbraw/zinc/89/92/49/589899249.db2.gz NWDZTYLCEMXZAG-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872243424 589899469 /nfs/dbraw/zinc/89/94/69/589899469.db2.gz ONJPXINOOPRMDO-LBPRGKRZSA-N 1 0 243.391 2.090 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CCC[C@H]2C=CCC2)CC1 ZINC000872245595 589899733 /nfs/dbraw/zinc/89/97/33/589899733.db2.gz DHBWMJBRZLMXKK-UONOGXRCSA-N 1 0 248.370 2.377 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000872250872 589900559 /nfs/dbraw/zinc/90/05/59/589900559.db2.gz LPOGYWLFOUGUMV-DCAQKATOSA-N 1 0 249.276 2.081 20 30 BEEDRO Cc1ccc(N=NCC2CC[NH+](C)CC2)nc1 ZINC000872348050 589915662 /nfs/dbraw/zinc/91/56/62/589915662.db2.gz NTKCCXACPBMVOR-UHFFFAOYSA-N 1 0 232.331 2.130 20 30 BEEDRO C[C@@H]1C(N=Nc2cc(F)cc(F)c2)CC[N@@H+]1C ZINC000872343988 589915729 /nfs/dbraw/zinc/91/57/29/589915729.db2.gz GVLCMNGKCYGYEA-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO CNc1ccccc1C=[NH+]OC1CCOCC1 ZINC000872367437 589921913 /nfs/dbraw/zinc/92/19/13/589921913.db2.gz XJVKZGWGCFEAKI-UHFFFAOYSA-N 1 0 234.299 2.258 20 30 BEEDRO C[C@H](N=NC1CC[N@H+](C)[C@H]1C)C(C)(C)C ZINC000872376316 589925517 /nfs/dbraw/zinc/92/55/17/589925517.db2.gz JDPMYRJCNXCKMB-UWVGGRQHSA-N 1 0 211.353 2.091 20 30 BEEDRO CC[C@H](C)CO[NH+]=Cc1c(C)ccnc1N ZINC000872376432 589925756 /nfs/dbraw/zinc/92/57/56/589925756.db2.gz GOEXESADSDKTFS-VIFPVBQESA-N 1 0 221.304 2.369 20 30 BEEDRO COCCCON=C1CCC(C)([NH+](C)C)CC1 ZINC000872375629 589925849 /nfs/dbraw/zinc/92/58/49/589925849.db2.gz MUXHRPTVGPDKKB-UHFFFAOYSA-N 1 0 242.363 2.290 20 30 BEEDRO CCC(=[NH+]N1CCC1)c1cccc(N)c1 ZINC000872398298 589934878 /nfs/dbraw/zinc/93/48/78/589934878.db2.gz NLKXIAIOLGXDFN-UHFFFAOYSA-N 1 0 203.289 2.089 20 30 BEEDRO N#CCCCCNc1cc[nH+]cc1C1CC1 ZINC000872443376 589939344 /nfs/dbraw/zinc/93/93/44/589939344.db2.gz ZYRWUWOCSGAMCN-UHFFFAOYSA-N 1 0 215.300 2.487 20 30 BEEDRO C#CCCCNc1cc[nH+]cc1C1CC1 ZINC000872467711 589942342 /nfs/dbraw/zinc/94/23/42/589942342.db2.gz OEOVDEZLOMPPKJ-UHFFFAOYSA-N 1 0 200.285 2.206 20 30 BEEDRO C=C(C)COCCNc1cc[nH+]cc1C1CC1 ZINC000872483894 589943993 /nfs/dbraw/zinc/94/39/93/589943993.db2.gz KKMSGBALCPQZRI-UHFFFAOYSA-N 1 0 232.327 2.386 20 30 BEEDRO C=CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873006965 589978971 /nfs/dbraw/zinc/97/89/71/589978971.db2.gz DNXGTGBVJYCSLR-UHFFFAOYSA-N 1 0 220.272 2.487 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000873112468 589985155 /nfs/dbraw/zinc/98/51/55/589985155.db2.gz STOJHOVAHFSMHO-GFCCVEGCSA-N 1 0 246.285 2.480 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1cc[nH]n1 ZINC000873152203 589987176 /nfs/dbraw/zinc/98/71/76/589987176.db2.gz ZLORGQZQPWWSPR-UHFFFAOYSA-N 1 0 207.321 2.492 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCCF)cc1 ZINC000124425875 589990327 /nfs/dbraw/zinc/99/03/27/589990327.db2.gz RKVKTRHPMBAZFM-UHFFFAOYSA-N 1 0 221.275 2.148 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cn(C(C)C)nn2)CC1 ZINC000873197878 589991896 /nfs/dbraw/zinc/99/18/96/589991896.db2.gz HWIGVEVSNJYXSW-JOCQHMNTSA-N 1 0 246.358 2.141 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnn(CC)c2)CC1 ZINC000873198402 589992028 /nfs/dbraw/zinc/99/20/28/589992028.db2.gz ILUHDYAKNCNGHS-MQMHXKEQSA-N 1 0 231.343 2.185 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ncnn2C(C)C)CC1 ZINC000873197821 589992162 /nfs/dbraw/zinc/99/21/62/589992162.db2.gz DEDBWUSQUDSYLM-JOCQHMNTSA-N 1 0 246.358 2.141 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nccn2CC)CC1 ZINC000873198639 589993230 /nfs/dbraw/zinc/99/32/30/589993230.db2.gz SRBHHQWPNWPSDF-JOCQHMNTSA-N 1 0 231.343 2.185 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125212505 590155943 /nfs/dbraw/zinc/15/59/43/590155943.db2.gz LFHHFAYIJNSIOE-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO CCCCCCCNC(=O)N(C)CC[NH+](C)C ZINC000875765655 590171509 /nfs/dbraw/zinc/17/15/09/590171509.db2.gz VFNHCUBMKLTGOZ-UHFFFAOYSA-N 1 0 243.395 2.160 20 30 BEEDRO C[NH2+]Cc1cccc(NC(=O)C#CC(C)(C)C)c1 ZINC000876510108 590205705 /nfs/dbraw/zinc/20/57/05/590205705.db2.gz PAWDFVPGMDOGDW-UHFFFAOYSA-N 1 0 244.338 2.394 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC ZINC000876543793 590212629 /nfs/dbraw/zinc/21/26/29/590212629.db2.gz JHCALKJSEKBHKU-MNOVXSKESA-N 1 0 244.766 2.247 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)CC(=O)NCC ZINC000876545233 590213204 /nfs/dbraw/zinc/21/32/04/590213204.db2.gz JJNPFHWRIBMNJE-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCC(C)C ZINC000876549443 590213933 /nfs/dbraw/zinc/21/39/33/590213933.db2.gz PKXWOJAIUWYOFN-WDEREUQCSA-N 1 0 246.782 2.397 20 30 BEEDRO CC[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876560711 590215469 /nfs/dbraw/zinc/21/54/69/590215469.db2.gz JWGZIDSEHWRWMF-UHFFFAOYSA-N 1 0 217.316 2.076 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H]1C(C)C ZINC000876590727 590219193 /nfs/dbraw/zinc/21/91/93/590219193.db2.gz AKOZMCYBOZFJFW-WDEREUQCSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H]1C(C)C ZINC000876590724 590219266 /nfs/dbraw/zinc/21/92/66/590219266.db2.gz AKOZMCYBOZFJFW-GHMZBOCLSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)CC ZINC000876615229 590222672 /nfs/dbraw/zinc/22/26/72/590222672.db2.gz XTVZGERKEWDYFA-HGNGGELXSA-N 1 0 232.755 2.007 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](C)CC1 ZINC000876627595 590223395 /nfs/dbraw/zinc/22/33/95/590223395.db2.gz RXOOAUXWRTYIKZ-ONGXEEELSA-N 1 0 244.766 2.105 20 30 BEEDRO C#CC[N@@H+](CC)Cc1c(C)cccc1O ZINC000876638864 590225235 /nfs/dbraw/zinc/22/52/35/590225235.db2.gz HXTJJCXLXFQQPR-UHFFFAOYSA-N 1 0 203.285 2.156 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@H]1CC ZINC000876670151 590228528 /nfs/dbraw/zinc/22/85/28/590228528.db2.gz HLYLEILIUMHGSO-IEBDPFPHSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@H+](CC(N)=O)C(C)(C)C ZINC000876775719 590240230 /nfs/dbraw/zinc/24/02/30/590240230.db2.gz DTUGUUAIELSOMG-UHFFFAOYSA-N 1 0 238.375 2.156 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+]Cc1cccc(C#N)n1 ZINC000876917766 590256987 /nfs/dbraw/zinc/25/69/87/590256987.db2.gz VZFIYDFTMVBKFZ-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@H]2CCO2)cc1 ZINC000876940720 590259192 /nfs/dbraw/zinc/25/91/92/590259192.db2.gz ZKHSVNUBPVDLSK-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC000876950392 590260318 /nfs/dbraw/zinc/26/03/18/590260318.db2.gz MBBXBQJNDZGBQU-RKDXNWHRSA-N 1 0 232.755 2.007 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+]CC2CCC2)c1 ZINC000876984546 590264752 /nfs/dbraw/zinc/26/47/52/590264752.db2.gz JDIGDEIIPHKJBV-UHFFFAOYSA-N 1 0 235.718 2.496 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CCCN1C ZINC000876985948 590265330 /nfs/dbraw/zinc/26/53/30/590265330.db2.gz XULTYVGKEHGJER-AWEZNQCLSA-N 1 0 222.376 2.254 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876988662 590265545 /nfs/dbraw/zinc/26/55/45/590265545.db2.gz IPPRXBMSSWNBDA-RYUDHWBXSA-N 1 0 244.354 2.021 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])CC(=C)Cl ZINC000876991419 590266497 /nfs/dbraw/zinc/26/64/97/590266497.db2.gz XRLKGNNMLMSNTI-JTQLQIEISA-N 1 0 244.766 2.175 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccccc1O ZINC000876995126 590267035 /nfs/dbraw/zinc/26/70/35/590267035.db2.gz APJIYYWPCSNBJR-NSHDSACASA-N 1 0 218.300 2.422 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@@H](C)CCC#N)C(F)(F)F ZINC000877027851 590271379 /nfs/dbraw/zinc/27/13/79/590271379.db2.gz RJEYZYJYSYFZKV-IUCAKERBSA-N 1 0 238.253 2.093 20 30 BEEDRO C#CCSCC[NH2+]CC1CCSCC1 ZINC000877047678 590274479 /nfs/dbraw/zinc/27/44/79/590274479.db2.gz CWRWCZGBUBHOMP-UHFFFAOYSA-N 1 0 229.414 2.086 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000877053488 590275100 /nfs/dbraw/zinc/27/51/00/590275100.db2.gz PBANLJCIASTAHT-AWEZNQCLSA-N 1 0 245.370 2.440 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CC)CCO ZINC000877056415 590275783 /nfs/dbraw/zinc/27/57/83/590275783.db2.gz YCDSVSYDJRSAIT-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(Cl)c1N ZINC000877069636 590277228 /nfs/dbraw/zinc/27/72/28/590277228.db2.gz COAHDHNBHCGYNY-UHFFFAOYSA-N 1 0 222.719 2.425 20 30 BEEDRO N#CC1CCC([NH2+]CCOC2CCC2)CC1 ZINC000877070354 590277710 /nfs/dbraw/zinc/27/77/10/590277710.db2.gz WEENGLCVLOZEAA-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1CCC(C)(O)CC1 ZINC000877075157 590278162 /nfs/dbraw/zinc/27/81/62/590278162.db2.gz JDUUUHHWHGZQNT-PNESKVBLSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000877126813 590289910 /nfs/dbraw/zinc/28/99/10/590289910.db2.gz TXDQXYOMYZTEBT-LBPRGKRZSA-N 1 0 224.348 2.073 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@@H](C)[S@](C)=O ZINC000877162300 590294536 /nfs/dbraw/zinc/29/45/36/590294536.db2.gz XNWKUOVPOPBYHE-CJNGLKHVSA-N 1 0 243.416 2.317 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC(CCCO)CC1 ZINC000877194981 590299323 /nfs/dbraw/zinc/29/93/23/590299323.db2.gz ZPFJHFVGJHYWBO-CYBMUJFWSA-N 1 0 238.375 2.411 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CC1CCC1 ZINC000877204827 590300877 /nfs/dbraw/zinc/30/08/77/590300877.db2.gz PUUIPNFVVGZVLE-KOLCDFICSA-N 1 0 244.766 2.151 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000877304186 590310526 /nfs/dbraw/zinc/31/05/26/590310526.db2.gz UMCARXYDOURPKX-MNOVXSKESA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877279358 590306449 /nfs/dbraw/zinc/30/64/49/590306449.db2.gz QTIKWTGLEULUGV-KGLIPLIRSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](C)[NH2+]CCC ZINC000877303160 590310164 /nfs/dbraw/zinc/31/01/64/590310164.db2.gz BTUYQRXHKDTWRK-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000877303455 590310461 /nfs/dbraw/zinc/31/04/61/590310461.db2.gz HZWQGVKPSSTXSS-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](CC)[NH2+]C ZINC000877303378 590310955 /nfs/dbraw/zinc/31/09/55/590310955.db2.gz FBLIAPOQXUXADD-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@H](C)CCC#N ZINC000877325248 590317441 /nfs/dbraw/zinc/31/74/41/590317441.db2.gz FDCQHDJBLIEOMR-DGCLKSJQSA-N 1 0 240.347 2.248 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000877336487 590317689 /nfs/dbraw/zinc/31/76/89/590317689.db2.gz JXUFSDQDKBADJU-CZUORRHYSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877335958 590317746 /nfs/dbraw/zinc/31/77/46/590317746.db2.gz GPNLMZCRKKWBRK-OAHLLOKOSA-N 1 0 233.355 2.373 20 30 BEEDRO C=CC[N@@H+](Cc1cnc2c(cnn2C)c1)C1CC1 ZINC000877329122 590317909 /nfs/dbraw/zinc/31/79/09/590317909.db2.gz NYVGSGPAWBGRDJ-UHFFFAOYSA-N 1 0 242.326 2.119 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(C)(C)SC)[C@@H]1CCCO1 ZINC000877413818 590324489 /nfs/dbraw/zinc/32/44/89/590324489.db2.gz RVEHFIIPQVVKQV-NEPJUHHUSA-N 1 0 241.400 2.289 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(CCO)CC1 ZINC000877442545 590329287 /nfs/dbraw/zinc/32/92/87/590329287.db2.gz MSLMVTZWQSMDSF-UHFFFAOYSA-N 1 0 223.360 2.322 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@]1(C)CO ZINC000877460011 590331256 /nfs/dbraw/zinc/33/12/56/590331256.db2.gz MCGYPTISXRFLNK-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](C)[C@H]1CO ZINC000877463472 590332368 /nfs/dbraw/zinc/33/23/68/590332368.db2.gz DTRRRRWWNIISLG-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000877467314 590333306 /nfs/dbraw/zinc/33/33/06/590333306.db2.gz FEPCGSIHXMFEDG-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000877512799 590342393 /nfs/dbraw/zinc/34/23/93/590342393.db2.gz BWIXQAAQGHXSRK-OLZOCXBDSA-N 1 0 234.343 2.087 20 30 BEEDRO C#C[C@H]([NH2+]CC1CCSCC1)C(C)C ZINC000877513383 590343215 /nfs/dbraw/zinc/34/32/15/590343215.db2.gz UEVNVFRMLZOEIU-LBPRGKRZSA-N 1 0 211.374 2.377 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)c1cnc(C)nc1C)C(C)C ZINC000877513123 590343846 /nfs/dbraw/zinc/34/38/46/590343846.db2.gz LNMAAWLAXHETER-BXUZGUMPSA-N 1 0 231.343 2.402 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)C(C)C ZINC000877512871 590343998 /nfs/dbraw/zinc/34/39/98/590343998.db2.gz DVTIRABHRPXCMU-GUBZILKMSA-N 1 0 201.260 2.278 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](Cc1ccccc1)OC)C(C)C ZINC000877512920 590344043 /nfs/dbraw/zinc/34/40/43/590344043.db2.gz GBIGVYCQXUFURF-JKSUJKDBSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C(C)C ZINC000877513426 590345175 /nfs/dbraw/zinc/34/51/75/590345175.db2.gz VTZUMRRGTKLDOK-CHWSQXEVSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C(C)(C)C ZINC000877534996 590350063 /nfs/dbraw/zinc/35/00/63/590350063.db2.gz RPAAFUJLMULCIY-OCCSQVGLSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@](C)(OC)C1CC1)C(C)(C)C ZINC000877534992 590350385 /nfs/dbraw/zinc/35/03/85/590350385.db2.gz RPAAFUJLMULCIY-GXTWGEPZSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000877545394 590352563 /nfs/dbraw/zinc/35/25/63/590352563.db2.gz ALJYGDDYBWZPBQ-GJZGRUSLSA-N 1 0 234.387 2.206 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H](O)CC1 ZINC000877554440 590356931 /nfs/dbraw/zinc/35/69/31/590356931.db2.gz ITNXGQPVGNREMK-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO CCc1nc(C[NH2+]C2CCC(C#N)CC2)co1 ZINC000877571057 590361500 /nfs/dbraw/zinc/36/15/00/590361500.db2.gz RBZKABDVMWWTHR-UHFFFAOYSA-N 1 0 233.315 2.409 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CC)[C@H](C)O ZINC000877568618 590361832 /nfs/dbraw/zinc/36/18/32/590361832.db2.gz SUIVBCSQDBEGDV-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CC)[C@H](C)O ZINC000877568617 590362421 /nfs/dbraw/zinc/36/24/21/590362421.db2.gz SUIVBCSQDBEGDV-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(OC)cnc1F ZINC000877575002 590362888 /nfs/dbraw/zinc/36/28/88/590362888.db2.gz BTOZBURZSFLJJW-UHFFFAOYSA-N 1 0 224.279 2.285 20 30 BEEDRO CCC1C[NH+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000877579380 590364239 /nfs/dbraw/zinc/36/42/39/590364239.db2.gz QHXIXRDJJONLGE-UHFFFAOYSA-N 1 0 243.354 2.466 20 30 BEEDRO C#CCCCCCC[NH+]1CC(c2nc(C)no2)C1 ZINC000877580822 590365867 /nfs/dbraw/zinc/36/58/67/590365867.db2.gz ZNLIERJKNGGJGO-UHFFFAOYSA-N 1 0 247.342 2.361 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)C(=O)NC(C)C ZINC000877592795 590368731 /nfs/dbraw/zinc/36/87/31/590368731.db2.gz UJQBQSCSMJMLBR-ZDUSSCGKSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000877593592 590368769 /nfs/dbraw/zinc/36/87/69/590368769.db2.gz WPCKJEWSCSIJOW-BETUJISGSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(N(C)C)CC1 ZINC000877593554 590368923 /nfs/dbraw/zinc/36/89/23/590368923.db2.gz DGPRKFQVEPWWHS-UHFFFAOYSA-N 1 0 222.376 2.254 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000877604814 590371314 /nfs/dbraw/zinc/37/13/14/590371314.db2.gz GXIUBBKOIAPRKX-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cncc(OC)c2C)C1 ZINC000877616903 590374152 /nfs/dbraw/zinc/37/41/52/590374152.db2.gz IGWYPLKNTLEIKX-CYBMUJFWSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)C1CCC1 ZINC000877622390 590375779 /nfs/dbraw/zinc/37/57/79/590375779.db2.gz MHLNTNACIVNQOI-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[N@@H+](C)Cc1cnc[nH]1 ZINC000877619545 590375907 /nfs/dbraw/zinc/37/59/07/590375907.db2.gz CWIZMPFXUVWZPK-UHFFFAOYSA-N 1 0 219.332 2.425 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(CCC)nn2)C1 ZINC000877624155 590376544 /nfs/dbraw/zinc/37/65/44/590376544.db2.gz LQHLGAHYIMRBHY-CYBMUJFWSA-N 1 0 248.374 2.476 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(C)cc1O ZINC000877641110 590382192 /nfs/dbraw/zinc/38/21/92/590382192.db2.gz MBFKRSQYFMRDOV-UHFFFAOYSA-N 1 0 247.338 2.172 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1CCSCC1 ZINC000877640928 590383096 /nfs/dbraw/zinc/38/30/96/590383096.db2.gz IQJBMXQALBWIOY-UHFFFAOYSA-N 1 0 241.400 2.101 20 30 BEEDRO C/C=C\C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877657877 590386217 /nfs/dbraw/zinc/38/62/17/590386217.db2.gz PFCAVUKZTBXFSK-IHWYPQMZSA-N 1 0 221.691 2.272 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](CC(C)C)OC ZINC000877660608 590386669 /nfs/dbraw/zinc/38/66/69/590386669.db2.gz OEAOSYXSNPSAAW-KGLIPLIRSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000877660834 590386836 /nfs/dbraw/zinc/38/68/36/590386836.db2.gz RSUOXSKXBHIUDK-BFHYXJOUSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(C)cc1O ZINC000877660632 590387099 /nfs/dbraw/zinc/38/70/99/590387099.db2.gz OSGAQSFWGKUREL-CQSZACIVSA-N 1 0 247.338 2.219 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877661748 590387523 /nfs/dbraw/zinc/38/75/23/590387523.db2.gz GIHOGMJNSFZRCD-MRXNPFEDSA-N 1 0 245.366 2.474 20 30 BEEDRO C=C(Cl)C[C@@H](NCC(C)C)C(=O)OCC ZINC000877671708 590389013 /nfs/dbraw/zinc/38/90/13/590389013.db2.gz NICBGQNZAZRRNL-SNVBAGLBSA-N 1 0 233.739 2.306 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CC(C)(C)CC[C@H]1O ZINC000877683392 590391287 /nfs/dbraw/zinc/39/12/87/590391287.db2.gz ACPIKMUDYISXPN-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccnc(F)c2)CC1 ZINC000877697454 590393711 /nfs/dbraw/zinc/39/37/11/590393711.db2.gz NEARHRVEDHVHMB-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CCCS2)n1 ZINC000877697093 590393976 /nfs/dbraw/zinc/39/39/76/590393976.db2.gz AONMQRKLSHZSDB-CYBMUJFWSA-N 1 0 247.367 2.329 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCN(C)C(C)(C)CC1 ZINC000877700793 590395271 /nfs/dbraw/zinc/39/52/71/590395271.db2.gz HOJULUXNMFFUOQ-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000877704480 590397893 /nfs/dbraw/zinc/39/78/93/590397893.db2.gz JBHXWLXGNPRDHE-LBPRGKRZSA-N 1 0 232.327 2.067 20 30 BEEDRO N#Cc1cccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)n1 ZINC000877718341 590399665 /nfs/dbraw/zinc/39/96/65/590399665.db2.gz INELSTRMEHZFBO-BETUJISGSA-N 1 0 239.322 2.351 20 30 BEEDRO C#CCCCCCC[NH+]1CCN(CCC#N)CC1 ZINC000877748143 590413436 /nfs/dbraw/zinc/41/34/36/590413436.db2.gz SXNGDJKZLTYJCT-UHFFFAOYSA-N 1 0 247.386 2.101 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877752745 590416359 /nfs/dbraw/zinc/41/63/59/590416359.db2.gz JPHQQYUWYXJHQG-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@H](O)C1CCCC1 ZINC000877777469 590422005 /nfs/dbraw/zinc/42/20/05/590422005.db2.gz AZMUIXUJVRAQIX-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]C[C@H](C)CCC#N ZINC000877777966 590422067 /nfs/dbraw/zinc/42/20/67/590422067.db2.gz HROCIEWIRREHHP-GRYCIOLGSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000877777468 590422138 /nfs/dbraw/zinc/42/21/38/590422138.db2.gz AZMUIXUJVRAQIX-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000877805419 590425867 /nfs/dbraw/zinc/42/58/67/590425867.db2.gz NIQLGCNGFUYYQU-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H](C)COC)CC1 ZINC000877834614 590430484 /nfs/dbraw/zinc/43/04/84/590430484.db2.gz WELCGPAAKNTPLM-AVGNSLFASA-N 1 0 209.333 2.051 20 30 BEEDRO CC1([NH2+][C@@H]2CC[C@H](C#N)C2)CC(F)(F)C1 ZINC000877834866 590431509 /nfs/dbraw/zinc/43/15/09/590431509.db2.gz YUBCOOTUODHEJH-DTWKUNHWSA-N 1 0 214.259 2.456 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000877940427 590452951 /nfs/dbraw/zinc/45/29/51/590452951.db2.gz BWRPQZZIRRETSV-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO CCCCCCCC[NH2+]Cc1ncnn1C ZINC000126825827 590463523 /nfs/dbraw/zinc/46/35/23/590463523.db2.gz YQRXUKGSNPRFMG-UHFFFAOYSA-N 1 0 224.352 2.265 20 30 BEEDRO C=CC[N@@H+](CCc1ccc(C(N)=O)cc1)C(C)C ZINC000877977482 590464251 /nfs/dbraw/zinc/46/42/51/590464251.db2.gz YGNBHVGLUGYTGC-UHFFFAOYSA-N 1 0 246.354 2.224 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C)CC1 ZINC000878001984 590470030 /nfs/dbraw/zinc/47/00/30/590470030.db2.gz JUYNXQGMBMGVHA-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000878018915 590472338 /nfs/dbraw/zinc/47/23/38/590472338.db2.gz NOWJDIKBKPKXEE-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](C)[N@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000878055515 590484870 /nfs/dbraw/zinc/48/48/70/590484870.db2.gz VGTOGFSSPREYEB-LBPRGKRZSA-N 1 0 247.342 2.225 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000878106511 590495097 /nfs/dbraw/zinc/49/50/97/590495097.db2.gz HCVFALOLKIWGGS-NWDGAFQWSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000878164711 590511107 /nfs/dbraw/zinc/51/11/07/590511107.db2.gz MZONJPZVUTUBHC-JSGCOSHPSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CC[C@@H](C)[N@H+](C)Cc1nnc2ccccn21 ZINC000878172921 590515455 /nfs/dbraw/zinc/51/54/55/590515455.db2.gz OSFUJYDUHXSHAO-LLVKDONJSA-N 1 0 230.315 2.126 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000878268006 590532024 /nfs/dbraw/zinc/53/20/24/590532024.db2.gz PJVKJGNFHXMWMW-GFCCVEGCSA-N 1 0 239.359 2.426 20 30 BEEDRO C#CCCN1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC000878312714 590540664 /nfs/dbraw/zinc/54/06/64/590540664.db2.gz PJNLNTGGWJAHCJ-UHFFFAOYSA-N 1 0 246.398 2.208 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000878310996 590541051 /nfs/dbraw/zinc/54/10/51/590541051.db2.gz XIHQUTHIMFLPEK-ZIAGYGMSSA-N 1 0 235.375 2.117 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(c2ncccc2F)CC1 ZINC000878323013 590545975 /nfs/dbraw/zinc/54/59/75/590545975.db2.gz ULPMLHUTCJJCPS-LBPRGKRZSA-N 1 0 249.333 2.307 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000878334825 590548481 /nfs/dbraw/zinc/54/84/81/590548481.db2.gz DGLOAOALMFCXJX-UONOGXRCSA-N 1 0 222.376 2.204 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878382757 590556698 /nfs/dbraw/zinc/55/66/98/590556698.db2.gz FRJQSSZNKBAWFR-ZDUSSCGKSA-N 1 0 239.359 2.080 20 30 BEEDRO CC(C)[C@@H](O)CC[NH+]1CCC(C)(C#N)CC1 ZINC000878389474 590558936 /nfs/dbraw/zinc/55/89/36/590558936.db2.gz JHBNFQFJAUMGSK-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO C#CCCCCC[N@@H+]1CCOCC2(CC2)C1 ZINC000878400910 590560533 /nfs/dbraw/zinc/56/05/33/590560533.db2.gz KQQYCSLIKDKHLM-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000878431274 590565940 /nfs/dbraw/zinc/56/59/40/590565940.db2.gz IVFHJAPTLNUVHY-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](CCO)c1ccco1 ZINC000878440362 590568266 /nfs/dbraw/zinc/56/82/66/590568266.db2.gz HVQGKWCGOZTWPY-ZDUSSCGKSA-N 1 0 235.327 2.486 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000878458332 590570368 /nfs/dbraw/zinc/57/03/68/590570368.db2.gz NGLNMSHQTBBXKR-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878460591 590570487 /nfs/dbraw/zinc/57/04/87/590570487.db2.gz AKMDPQYUMAKQBS-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@](CC)(CO)C1 ZINC000878465835 590573232 /nfs/dbraw/zinc/57/32/32/590573232.db2.gz XNPMBNSFWSZBQD-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CCCCCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000878476282 590575096 /nfs/dbraw/zinc/57/50/96/590575096.db2.gz YVFUUQSWKXRUNB-CHWSQXEVSA-N 1 0 223.360 2.414 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000878492243 590579151 /nfs/dbraw/zinc/57/91/51/590579151.db2.gz DJBMGLSKYFGTQY-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000878492241 590579634 /nfs/dbraw/zinc/57/96/34/590579634.db2.gz DJBMGLSKYFGTQY-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCCC(C)(C)O1 ZINC000878517110 590585122 /nfs/dbraw/zinc/58/51/22/590585122.db2.gz NGJHLQIPZQLGIN-RYUDHWBXSA-N 1 0 209.333 2.288 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1CCC(C)(C)CO1 ZINC000878503614 590581320 /nfs/dbraw/zinc/58/13/20/590581320.db2.gz VIEVAKRJFWTKBB-ZDUSSCGKSA-N 1 0 241.375 2.326 20 30 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ZINC000883176152 591564120 /nfs/dbraw/zinc/56/41/20/591564120.db2.gz WZUFSEXZEPJIDX-UONOGXRCSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)N(C)C)[C@@H]1CCCO1 ZINC000883186555 591565082 /nfs/dbraw/zinc/56/50/82/591565082.db2.gz UVWZRGJLVIDRJT-RDBSUJKOSA-N 1 0 240.391 2.040 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)CC)[C@H]1CCCO1 ZINC000883187408 591566674 /nfs/dbraw/zinc/56/66/74/591566674.db2.gz NNDJZPKOSLMZII-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc(C)n[nH]1)[C@@H]1CCCO1 ZINC000883190623 591568098 /nfs/dbraw/zinc/56/80/98/591568098.db2.gz IVKVHYGRLHGEDD-KBPBESRZSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccon1)[C@H]1CCCO1 ZINC000883195067 591569459 /nfs/dbraw/zinc/56/94/59/591569459.db2.gz JZEJBRWTHHNEBT-QWHCGFSZSA-N 1 0 236.315 2.278 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCF)[C@H]1CCCO1 ZINC000883208072 591574075 /nfs/dbraw/zinc/57/40/75/591574075.db2.gz YSEUNCNCBUNVDZ-NWDGAFQWSA-N 1 0 215.312 2.449 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCC=C)[C@H]1CCCO1 ZINC000883215656 591575226 /nfs/dbraw/zinc/57/52/26/591575226.db2.gz CRAFXFYBPKPXAS-UONOGXRCSA-N 1 0 239.359 2.292 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCC=C)[C@H]1CCCO1 ZINC000883215657 591575596 /nfs/dbraw/zinc/57/55/96/591575596.db2.gz CRAFXFYBPKPXAS-ZIAGYGMSSA-N 1 0 239.359 2.292 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCCCO)[C@@H]1CCCO1 ZINC000883219115 591576649 /nfs/dbraw/zinc/57/66/49/591576649.db2.gz MNGRLWJNIDCZAO-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCO1 ZINC000883223424 591577339 /nfs/dbraw/zinc/57/73/39/591577339.db2.gz PAJCLHOKWGMOSB-KGLIPLIRSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000883234835 591581616 /nfs/dbraw/zinc/58/16/16/591581616.db2.gz NLDSJTMBJHLMII-BFHYXJOUSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ncccn1)[C@H]1CCCO1 ZINC000883235435 591582179 /nfs/dbraw/zinc/58/21/79/591582179.db2.gz CBKFLLPNXMDMRV-QWHCGFSZSA-N 1 0 247.342 2.080 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCCF)[C@@H]1CCCO1 ZINC000883237840 591583338 /nfs/dbraw/zinc/58/33/38/591583338.db2.gz LRYHGTOTMMCILY-OLZOCXBDSA-N 1 0 245.338 2.076 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCCF)[C@H]1CCCO1 ZINC000883237841 591584006 /nfs/dbraw/zinc/58/40/06/591584006.db2.gz LRYHGTOTMMCILY-QWHCGFSZSA-N 1 0 245.338 2.076 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)[C@@H]1CCCO1 ZINC000883239943 591584709 /nfs/dbraw/zinc/58/47/09/591584709.db2.gz AMNVZTKICSFGJH-XUXIUFHCSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883276367 591605246 /nfs/dbraw/zinc/60/52/46/591605246.db2.gz KJVSUPKDIZAYNZ-OCCSQVGLSA-N 1 0 237.343 2.375 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN2CC)C1 ZINC000883356964 591627175 /nfs/dbraw/zinc/62/71/75/591627175.db2.gz ZMJAJPVIDKGGTJ-RDBSUJKOSA-N 1 0 222.376 2.415 20 30 BEEDRO C#CC1([NH2+]Cc2cccnc2C)CCCC1 ZINC000883363233 591632159 /nfs/dbraw/zinc/63/21/59/591632159.db2.gz YOSQMUXYDJTZKY-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(C)nc2)CCCC1 ZINC000883363148 591632439 /nfs/dbraw/zinc/63/24/39/591632439.db2.gz WNSNDJKHPZLQMR-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000883389753 591641492 /nfs/dbraw/zinc/64/14/92/591641492.db2.gz XHPLXRRHVICWOG-HZPDHXFCSA-N 1 0 245.366 2.461 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000883390158 591641699 /nfs/dbraw/zinc/64/16/99/591641699.db2.gz GXACKRUHPSCATJ-JHJVBQTASA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](CC)C1CCOCC1 ZINC000883389993 591641806 /nfs/dbraw/zinc/64/18/06/591641806.db2.gz CNOYMPMIROVZAG-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000883390156 591641812 /nfs/dbraw/zinc/64/18/12/591641812.db2.gz GXACKRUHPSCATJ-AGIUHOORSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](COC)CC(C)(C)C ZINC000883392330 591643803 /nfs/dbraw/zinc/64/38/03/591643803.db2.gz FOLWQITWGZVVOQ-CHWSQXEVSA-N 1 0 243.391 2.354 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000883391424 591643813 /nfs/dbraw/zinc/64/38/13/591643813.db2.gz JXZHIRTYEHUTNU-CPCZMJQVSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1nc(C)cs1 ZINC000883392982 591644536 /nfs/dbraw/zinc/64/45/36/591644536.db2.gz SMKDYQIQEXNYHN-MNOVXSKESA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CCC(OCC)CC1 ZINC000883392855 591645242 /nfs/dbraw/zinc/64/52/42/591645242.db2.gz PRYQKUDSSHHCIA-ROKHWSDSSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CCC(F)(F)CC1 ZINC000883392599 591645282 /nfs/dbraw/zinc/64/52/82/591645282.db2.gz KZBGCCIFLSWWCM-LLVKDONJSA-N 1 0 233.302 2.481 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CCc1cccnc1 ZINC000883392974 591645324 /nfs/dbraw/zinc/64/53/24/591645324.db2.gz SKASVPGMEFQSFG-HIFRSBDPSA-N 1 0 248.370 2.319 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000883400283 591647233 /nfs/dbraw/zinc/64/72/33/591647233.db2.gz ISCTVUQVTQZDKU-CYBMUJFWSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(F)cc(F)c1 ZINC000883400690 591647585 /nfs/dbraw/zinc/64/75/85/591647585.db2.gz SLAAMNKLPWIMPF-ZDUSSCGKSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1occc1C ZINC000883400439 591647625 /nfs/dbraw/zinc/64/76/25/591647625.db2.gz MMMNGUQUGBDBGH-LLVKDONJSA-N 1 0 209.289 2.005 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000883400285 591647790 /nfs/dbraw/zinc/64/77/90/591647790.db2.gz ISNZNGNQMXTUFX-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000883401768 591648699 /nfs/dbraw/zinc/64/86/99/591648699.db2.gz XVUBMXYHEAWKAE-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(F)cc1F ZINC000883401462 591649175 /nfs/dbraw/zinc/64/91/75/591649175.db2.gz NMGPRHCJWQPXSU-GFCCVEGCSA-N 1 0 241.281 2.382 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000132567525 591720836 /nfs/dbraw/zinc/72/08/36/591720836.db2.gz OENMVWRZCOXURD-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C=C(C[NH2+][C@H](C)CCO)c1ccccc1 ZINC000132965612 591751261 /nfs/dbraw/zinc/75/12/61/591751261.db2.gz LMEPFHNSRXGJQU-GFCCVEGCSA-N 1 0 205.301 2.060 20 30 BEEDRO Cc1ccccc1OCCO[NH+]=C(N)C(C)C ZINC000133627464 591843812 /nfs/dbraw/zinc/84/38/12/591843812.db2.gz RLYOLNDWUHUBJA-UHFFFAOYSA-N 1 0 236.315 2.319 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000133664369 591845067 /nfs/dbraw/zinc/84/50/67/591845067.db2.gz VCWWPKVKEXVSFU-UHFFFAOYSA-N 1 0 235.262 2.142 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000884143462 591860764 /nfs/dbraw/zinc/86/07/64/591860764.db2.gz IJOPJNYSVNMSFU-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+]CCC2CCC2)cc1 ZINC000134195984 591900109 /nfs/dbraw/zinc/90/01/09/591900109.db2.gz KUNZRRZTGDSLST-OAHLLOKOSA-N 1 0 244.338 2.371 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCC2CCC2)cc1 ZINC000134196175 591900713 /nfs/dbraw/zinc/90/07/13/591900713.db2.gz KUNZRRZTGDSLST-HNNXBMFYSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC(CC[NH3+])CC1 ZINC000884387665 591921932 /nfs/dbraw/zinc/92/19/32/591921932.db2.gz AKLBBRUVWXBOEX-UHFFFAOYSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000884411848 591927990 /nfs/dbraw/zinc/92/79/90/591927990.db2.gz AIKYMZRSOHVYFR-NEPJUHHUSA-N 1 0 238.375 2.175 20 30 BEEDRO COCCCN[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884459020 591941370 /nfs/dbraw/zinc/94/13/70/591941370.db2.gz SYDMVRFZKNSBIM-UHFFFAOYSA-N 1 0 249.358 2.236 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000884459398 591941381 /nfs/dbraw/zinc/94/13/81/591941381.db2.gz CKQBZDFMEBIWMB-HAQNSBGRSA-N 1 0 238.375 2.222 20 30 BEEDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000884468126 591943051 /nfs/dbraw/zinc/94/30/51/591943051.db2.gz RHOQISHRXVVHGB-ZDUSSCGKSA-N 1 0 245.326 2.131 20 30 BEEDRO C=CCN[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884465170 591943475 /nfs/dbraw/zinc/94/34/75/591943475.db2.gz QISMYOMWLYPHCQ-UHFFFAOYSA-N 1 0 217.316 2.385 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC(C)(C)OC ZINC000135229039 591997920 /nfs/dbraw/zinc/99/79/20/591997920.db2.gz VNCXEHCVBMMWCS-UHFFFAOYSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000135505679 592015681 /nfs/dbraw/zinc/01/56/81/592015681.db2.gz KDNDNGLIXZWDMH-SNVBAGLBSA-N 1 0 216.284 2.231 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000135538412 592017184 /nfs/dbraw/zinc/01/71/84/592017184.db2.gz MUXWQPBKTHIFIT-UHFFFAOYSA-N 1 0 216.284 2.233 20 30 BEEDRO C=C(Cl)CNC1CC[NH+](C(C)C)CC1 ZINC000135834068 592059902 /nfs/dbraw/zinc/05/99/02/592059902.db2.gz SHFZUVVWNBQKKQ-UHFFFAOYSA-N 1 0 216.756 2.201 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000885942457 592111574 /nfs/dbraw/zinc/11/15/74/592111574.db2.gz OYJLOJNAMBIQFH-QWHCGFSZSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000885943896 592111654 /nfs/dbraw/zinc/11/16/54/592111654.db2.gz FWZHXSXWCGCZEQ-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885945083 592113209 /nfs/dbraw/zinc/11/32/09/592113209.db2.gz ZLUJSLGLJYDXSB-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[N@H+](C[C@H]1C[C@@]12CCOC2)C(C)C ZINC000885960839 592116030 /nfs/dbraw/zinc/11/60/30/592116030.db2.gz QMOYWFCAXLTGOV-CHWSQXEVSA-N 1 0 209.333 2.309 20 30 BEEDRO CC[N@H+](C[C@H](O)CC1(C#N)CCC1)C(C)C ZINC000885964023 592116846 /nfs/dbraw/zinc/11/68/46/592116846.db2.gz VKCYVJNSVBCOPE-GFCCVEGCSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000885983977 592121344 /nfs/dbraw/zinc/12/13/44/592121344.db2.gz UWVLQJCOPMGGMR-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1[nH]nc(C)c1C ZINC000886104724 592155728 /nfs/dbraw/zinc/15/57/28/592155728.db2.gz JAUIDYSQHMQPCF-NSHDSACASA-N 1 0 207.321 2.471 20 30 BEEDRO Cc1n[nH]c(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1C ZINC000886132431 592159583 /nfs/dbraw/zinc/15/95/83/592159583.db2.gz YFMZBKJJHJOOLV-RYUDHWBXSA-N 1 0 232.331 2.199 20 30 BEEDRO C#CC[N@H+](CCOC1CCCCC1)C1CC1 ZINC000886136224 592160418 /nfs/dbraw/zinc/16/04/18/592160418.db2.gz IUPXQLVVNCSAIA-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1C[C@]12CCOC2 ZINC000886177036 592170830 /nfs/dbraw/zinc/17/08/30/592170830.db2.gz SPWSJQJHHSBZNF-MCIONIFRSA-N 1 0 221.344 2.454 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886176694 592170974 /nfs/dbraw/zinc/17/09/74/592170974.db2.gz JETYPUCUSFYBNK-UONOGXRCSA-N 1 0 248.370 2.472 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000886209000 592176752 /nfs/dbraw/zinc/17/67/52/592176752.db2.gz CCIMKOIVUVLDBN-TUUVXOQKSA-N 1 0 246.398 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000886211568 592177327 /nfs/dbraw/zinc/17/73/27/592177327.db2.gz SFRYKUMNYZGOKX-UONOGXRCSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000886212710 592177563 /nfs/dbraw/zinc/17/75/63/592177563.db2.gz DJXXRNRXHQSQIS-OAHLLOKOSA-N 1 0 246.329 2.013 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(C)s2)C1 ZINC000886213174 592178451 /nfs/dbraw/zinc/17/84/51/592178451.db2.gz NKVYJPYPVMSHBD-CYBMUJFWSA-N 1 0 248.395 2.244 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886265505 592190380 /nfs/dbraw/zinc/19/03/80/592190380.db2.gz KMMCHSCZKMJBSC-ILXRZTDVSA-N 1 0 233.355 2.148 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886280331 592198560 /nfs/dbraw/zinc/19/85/60/592198560.db2.gz COEZVALRDKOWNI-STQMWFEESA-N 1 0 236.359 2.209 20 30 BEEDRO N#CC1(C[C@H](O)C[NH+](C2CC2)C2CC2)CCC1 ZINC000886297382 592202904 /nfs/dbraw/zinc/20/29/04/592202904.db2.gz PQUHTSHYPFAIIW-ZDUSSCGKSA-N 1 0 234.343 2.058 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCC(=O)OC(C)(C)C)C1 ZINC000886355809 592215975 /nfs/dbraw/zinc/21/59/75/592215975.db2.gz NZZZXROJUIWRDL-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000886355654 592216085 /nfs/dbraw/zinc/21/60/85/592216085.db2.gz LNTGQGSDTQVOKC-NSHDSACASA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000886357685 592216103 /nfs/dbraw/zinc/21/61/03/592216103.db2.gz KILRZIGBNQTKAD-GDBMZVCRSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000886358438 592216838 /nfs/dbraw/zinc/21/68/38/592216838.db2.gz UWMCXEZTTRABSB-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000886363905 592218852 /nfs/dbraw/zinc/21/88/52/592218852.db2.gz HWJQWPUHTBGHOD-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000886365693 592219193 /nfs/dbraw/zinc/21/91/93/592219193.db2.gz NZEOUWVCOVCXKW-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccc(F)n2)C1 ZINC000886365614 592219651 /nfs/dbraw/zinc/21/96/51/592219651.db2.gz MNKHGTLHAKJBTB-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC[C@H](O)c2ccccc2)C1 ZINC000886365638 592219748 /nfs/dbraw/zinc/21/97/48/592219748.db2.gz MYVGOADLQWQGAT-ZBFHGGJFSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2(Br)CC2)C1 ZINC000886365323 592219792 /nfs/dbraw/zinc/21/97/92/592219792.db2.gz FWNOYHRTRRHLRM-JTQLQIEISA-N 1 0 242.160 2.259 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000886365479 592219893 /nfs/dbraw/zinc/21/98/93/592219893.db2.gz JLLXLKWXKSDRTP-SNVBAGLBSA-N 1 0 213.271 2.377 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000886365810 592220147 /nfs/dbraw/zinc/22/01/47/592220147.db2.gz PZZBKNWLAWQEPQ-BPLDGKMQSA-N 1 0 233.355 2.289 20 30 BEEDRO C#CCC1([NH2+]Cc2cccnc2C)CCOCC1 ZINC000886381685 592222318 /nfs/dbraw/zinc/22/23/18/592222318.db2.gz NRVBKCGSFKDCSK-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCCC#N)c1cnn(C)c1 ZINC000886522876 592244565 /nfs/dbraw/zinc/24/45/65/592244565.db2.gz SIKXETBFBKGUFE-CYBMUJFWSA-N 1 0 234.347 2.401 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886539064 592252604 /nfs/dbraw/zinc/25/26/04/592252604.db2.gz SJTVMRNARGGLNU-ZJUUUORDSA-N 1 0 234.299 2.093 20 30 BEEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1cnn(C)c1 ZINC000886594293 592270724 /nfs/dbraw/zinc/27/07/24/592270724.db2.gz JLFMTLALEMOJIR-BNOWGMLFSA-N 1 0 246.358 2.399 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886593988 592271278 /nfs/dbraw/zinc/27/12/78/592271278.db2.gz DDRSWASVBHTBKF-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000886659817 592292969 /nfs/dbraw/zinc/29/29/69/592292969.db2.gz WFLJYQOQHBYFTJ-UONOGXRCSA-N 1 0 246.354 2.336 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](CC)C(C)C)C1 ZINC000886659803 592293293 /nfs/dbraw/zinc/29/32/93/592293293.db2.gz VXUUZQGTQBPTOF-KBPBESRZSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](CC)C(C)C)C1 ZINC000886659806 592293323 /nfs/dbraw/zinc/29/33/23/592293323.db2.gz 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/nfs/dbraw/zinc/29/97/80/592299780.db2.gz VVJSZXRYRVMQBI-NSHDSACASA-N 1 0 237.734 2.409 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886685736 592302506 /nfs/dbraw/zinc/30/25/06/592302506.db2.gz AJUQOSUHGQXWMD-ZDUSSCGKSA-N 1 0 229.327 2.069 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686924 592303769 /nfs/dbraw/zinc/30/37/69/592303769.db2.gz ZXZGEMOHQZJHPU-ZIAGYGMSSA-N 1 0 243.354 2.458 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000886686333 592304405 /nfs/dbraw/zinc/30/44/05/592304405.db2.gz NRFXKJGPNCWNGP-STQMWFEESA-N 1 0 244.342 2.348 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC3(CCC3)CO2)C1 ZINC000886700936 592306551 /nfs/dbraw/zinc/30/65/51/592306551.db2.gz IMEPOGWEKCWWIH-FRRDWIJNSA-N 1 0 234.343 2.227 20 30 BEEDRO CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000886717841 592310931 /nfs/dbraw/zinc/31/09/31/592310931.db2.gz KDNMJVAJKQOKRY-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000886808871 592335673 /nfs/dbraw/zinc/33/56/73/592335673.db2.gz QVSLMJIFTDXCHZ-QWRGUYRKSA-N 1 0 249.276 2.035 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815479 592337589 /nfs/dbraw/zinc/33/75/89/592337589.db2.gz DZBXFLAHFPQEBH-RWMBFGLXSA-N 1 0 209.333 2.452 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886819135 592343547 /nfs/dbraw/zinc/34/35/47/592343547.db2.gz OMSFFMRVFWMXOW-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886830049 592350453 /nfs/dbraw/zinc/35/04/53/592350453.db2.gz LNXYKBXPXXENAS-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869604 592375111 /nfs/dbraw/zinc/37/51/11/592375111.db2.gz CYADAXQCSODNAF-ZDUSSCGKSA-N 1 0 208.349 2.028 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000221084229 592394687 /nfs/dbraw/zinc/39/46/87/592394687.db2.gz SLFOGGPLTATCDD-JTQLQIEISA-N 1 0 206.264 2.285 20 30 BEEDRO C=C(C)C[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886972986 592403104 /nfs/dbraw/zinc/40/31/04/592403104.db2.gz ZAVRQEGMHSPSBJ-UHFFFAOYSA-N 1 0 209.333 2.237 20 30 BEEDRO C#CCCC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979745 592403124 /nfs/dbraw/zinc/40/31/24/592403124.db2.gz YJHMVYLFHCPIEK-UHFFFAOYSA-N 1 0 221.344 2.075 20 30 BEEDRO C#CCCC[N@@H+](C)CCc1ccc2c(c1)OCO2 ZINC000887095504 592440441 /nfs/dbraw/zinc/44/04/41/592440441.db2.gz OCCGKGBGJSWKAT-UHFFFAOYSA-N 1 0 245.322 2.303 20 30 BEEDRO CC#CCC[N@H+]1CCc2cc(O)c(OC)cc2C1 ZINC000887106544 592445206 /nfs/dbraw/zinc/44/52/06/592445206.db2.gz FAJKFLLFZDPEMA-UHFFFAOYSA-N 1 0 245.322 2.172 20 30 BEEDRO C#CCC1([NH2+]CCSC(C)C)CCOCC1 ZINC000887122158 592446739 /nfs/dbraw/zinc/44/67/39/592446739.db2.gz MYXDMWLBGXLDMN-UHFFFAOYSA-N 1 0 241.400 2.290 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000222145699 592468376 /nfs/dbraw/zinc/46/83/76/592468376.db2.gz GNPUDNWUFIQCKJ-SWLSCSKDSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CCO1 ZINC000223174919 592519364 /nfs/dbraw/zinc/51/93/64/592519364.db2.gz UNXCKYXCOOMIMX-ZWNOBZJWSA-N 1 0 248.301 2.354 20 30 BEEDRO C#C[C@H]([NH2+]C1CC[NH+](CCC)CC1)C(C)C ZINC000300999316 592526820 /nfs/dbraw/zinc/52/68/20/592526820.db2.gz WVRNNNPVJUWZIZ-AWEZNQCLSA-N 1 0 222.376 2.108 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000302344943 592547055 /nfs/dbraw/zinc/54/70/55/592547055.db2.gz IBLCMWBFVHJPJV-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO COc1ccccc1[C@@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000302370691 592547096 /nfs/dbraw/zinc/54/70/96/592547096.db2.gz KUSGRGDLHHIGNK-NWDGAFQWSA-N 1 0 248.326 2.274 20 30 BEEDRO C#C[C@H]([NH2+]Cc1nn(C)c2ccccc12)C(C)C ZINC000302377288 592547618 /nfs/dbraw/zinc/54/76/18/592547618.db2.gz PFPYLWFNBDTILC-ZDUSSCGKSA-N 1 0 241.338 2.321 20 30 BEEDRO Cc1cccc(C[N@@H+](C)CCO[C@H](C)C#N)c1 ZINC000302433353 592547792 /nfs/dbraw/zinc/54/77/92/592547792.db2.gz SOOJPQQKFPDCFV-CYBMUJFWSA-N 1 0 232.327 2.356 20 30 BEEDRO COCCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000104152678 592602149 /nfs/dbraw/zinc/60/21/49/592602149.db2.gz FNEIBDCNATYJOZ-LBPRGKRZSA-N 1 0 243.395 2.142 20 30 BEEDRO CCCCCCCCN1CCO[C@@H](C[NH3+])C1 ZINC000104694443 592621070 /nfs/dbraw/zinc/62/10/70/592621070.db2.gz WFRVMRDYMGPDOC-ZDUSSCGKSA-N 1 0 228.380 2.006 20 30 BEEDRO C=CCCC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889833570 592655830 /nfs/dbraw/zinc/65/58/30/592655830.db2.gz GXJXWQXSKMKETL-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC001027341957 634486314 /nfs/dbraw/zinc/48/63/14/634486314.db2.gz WUCNUVHIGRBSNF-CKXPSTMWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001027357704 634494824 /nfs/dbraw/zinc/49/48/24/634494824.db2.gz BRDLVXJWWIYIFO-XEVNVYFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001027357702 634495362 /nfs/dbraw/zinc/49/53/62/634495362.db2.gz BRDLVXJWWIYIFO-UWUHSAQLSA-N 1 0 236.359 2.061 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@H](C)C#N)c1 ZINC000178422728 634507088 /nfs/dbraw/zinc/50/70/88/634507088.db2.gz NEVXFPKAKYXWCO-SNVBAGLBSA-N 1 0 230.315 2.135 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)CSCCC ZINC000893476498 634522577 /nfs/dbraw/zinc/52/25/77/634522577.db2.gz XSRRALMSNTVMDX-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO N#CCC1CCN(Cc2nccn2C2CC2)CC1 ZINC000893489131 634529937 /nfs/dbraw/zinc/52/99/37/634529937.db2.gz YGKHZYMACRRVJH-UHFFFAOYSA-N 1 0 244.342 2.344 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+]CCCCC(C)C ZINC000893505066 634543591 /nfs/dbraw/zinc/54/35/91/634543591.db2.gz ICJUKOXVBAETCE-UHFFFAOYSA-N 1 0 247.404 2.003 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000909386163 634585154 /nfs/dbraw/zinc/58/51/54/634585154.db2.gz FDJKILRKOMCPCB-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO C#CC[N@@H+](C[C@H]1C[C@@]1(C)Br)C1CC1 ZINC000893613108 635260483 /nfs/dbraw/zinc/26/04/83/635260483.db2.gz XKUOBALXHVJHHB-MWLCHTKSSA-N 1 0 242.160 2.258 20 30 BEEDRO C=CC[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931904528 635404905 /nfs/dbraw/zinc/40/49/05/635404905.db2.gz YFRXKPLLUAIVRR-CABCVRRESA-N 1 0 229.323 2.072 20 30 BEEDRO CCCCCCCC(=O)NCC1([NH3+])CCC1 ZINC000230066867 635479671 /nfs/dbraw/zinc/47/96/71/635479671.db2.gz WWISRARIAMWNHG-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000178574787 635526836 /nfs/dbraw/zinc/52/68/36/635526836.db2.gz WJIBRBNPSQAGRA-ZDUSSCGKSA-N 1 0 245.370 2.373 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308366409 631304884 /nfs/dbraw/zinc/30/48/84/631304884.db2.gz LSXXBJNGAZYNOH-ZJUUUORDSA-N 1 0 215.724 2.286 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)Cc1cccc(=O)[nH]1 ZINC000933399993 631361077 /nfs/dbraw/zinc/36/10/77/631361077.db2.gz ZBWYPRXJGKDGEZ-LLVKDONJSA-N 1 0 218.300 2.021 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000308538281 631421359 /nfs/dbraw/zinc/42/13/59/631421359.db2.gz TYDHDCDRLZYYDE-MRVPVSSYSA-N 1 0 206.314 2.132 20 30 BEEDRO CCCCCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000158006762 631494233 /nfs/dbraw/zinc/49/42/33/631494233.db2.gz JSTQGBVHDDNCLI-AWEZNQCLSA-N 1 0 242.407 2.219 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000308698652 631529628 /nfs/dbraw/zinc/52/96/28/631529628.db2.gz HNMHAZKUNDZAKN-XQQFMLRXSA-N 1 0 224.348 2.473 20 30 BEEDRO C#CCC[NH2+][C@H]1CCOC12CCCCC2 ZINC000933872977 631538705 /nfs/dbraw/zinc/53/87/05/631538705.db2.gz ZHIRIBYMRSBVDM-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C=C(Cl)CN(CC[NH3+])Cc1ccccc1 ZINC000236252046 631576757 /nfs/dbraw/zinc/57/67/57/631576757.db2.gz XGXQBKMRJVZEEY-UHFFFAOYSA-N 1 0 224.735 2.200 20 30 BEEDRO CC[C@H](C)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674612 635656987 /nfs/dbraw/zinc/65/69/87/635656987.db2.gz LRZRBJKDBYXOPD-FZMZJTMJSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC#N ZINC000425985685 635657460 /nfs/dbraw/zinc/65/74/60/635657460.db2.gz ACPOKWRMDUXBPW-LLVKDONJSA-N 1 0 247.298 2.419 20 30 BEEDRO C=CCCC[NH2+]Cc1ccnc(OC)c1F ZINC000894119561 635673470 /nfs/dbraw/zinc/67/34/70/635673470.db2.gz ICZSXTPUMRREND-UHFFFAOYSA-N 1 0 224.279 2.285 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCO[C@H](C)C#N ZINC000308826895 631673034 /nfs/dbraw/zinc/67/30/34/631673034.db2.gz RPQLBWRGKCPTNF-QJPTWQEYSA-N 1 0 210.321 2.178 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)CCc1ccc(C#N)cc1 ZINC000934110537 631683825 /nfs/dbraw/zinc/68/38/25/631683825.db2.gz ZQWDNEULNVPQRL-GJZGRUSLSA-N 1 0 244.338 2.210 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000934112558 631687837 /nfs/dbraw/zinc/68/78/37/631687837.db2.gz JIEQASKWIAEACS-HUUCEWRRSA-N 1 0 244.338 2.476 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccsc1)[C@@H]1CCCO1 ZINC000308840297 631690647 /nfs/dbraw/zinc/69/06/47/631690647.db2.gz NEZBYHMQUCHFQY-NEPJUHHUSA-N 1 0 221.325 2.019 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ncco1 ZINC000926344031 631718427 /nfs/dbraw/zinc/71/84/27/631718427.db2.gz TWILQWJVSVSOQA-UTUOFQBUSA-N 1 0 236.315 2.306 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CCC(=C)CC2)C1 ZINC001022648240 631740469 /nfs/dbraw/zinc/74/04/69/631740469.db2.gz RFZLOAVWODDUMB-OKILXGFUSA-N 1 0 248.370 2.156 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC=C)[C@@H]1CCCO1 ZINC000308925523 631746579 /nfs/dbraw/zinc/74/65/79/631746579.db2.gz DECIMBZHIZVMLE-AVGNSLFASA-N 1 0 207.317 2.112 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000972108951 631785396 /nfs/dbraw/zinc/78/53/96/631785396.db2.gz CSLGOPIFPKIVAW-HIFRSBDPSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC000972108954 631785795 /nfs/dbraw/zinc/78/57/95/631785795.db2.gz CSLGOPIFPKIVAW-ZFWWWQNUSA-N 1 0 248.370 2.061 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934332693 631787335 /nfs/dbraw/zinc/78/73/35/631787335.db2.gz KWZNTYAMLFWBNL-NSHDSACASA-N 1 0 220.341 2.031 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1CCOC12CCCC2 ZINC000934387017 631818080 /nfs/dbraw/zinc/81/80/80/631818080.db2.gz VURAHJZGUZRSHR-STQMWFEESA-N 1 0 221.344 2.480 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC23CCCC3)C1 ZINC000934392949 631819461 /nfs/dbraw/zinc/81/94/61/631819461.db2.gz WZVMVZONFBVZMN-UPJWGTAASA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934402362 631823222 /nfs/dbraw/zinc/82/32/22/631823222.db2.gz JLHXFPNVHXLHSO-CHWSQXEVSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@H](OCC)C1CC1 ZINC000934460567 631847212 /nfs/dbraw/zinc/84/72/12/631847212.db2.gz QNMJNIOGAABWDY-STQMWFEESA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@@H](CCC)C(=O)OCC ZINC000934459275 631847307 /nfs/dbraw/zinc/84/73/07/631847307.db2.gz DSKMMQSGBJCYTI-RYUDHWBXSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](OCC)C1CC1 ZINC000934460565 631848820 /nfs/dbraw/zinc/84/88/20/631848820.db2.gz QNMJNIOGAABWDY-OLZOCXBDSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1cnn(CCF)c1 ZINC000934462247 631853896 /nfs/dbraw/zinc/85/38/96/631853896.db2.gz PYXCWVVJHJNFMF-LBPRGKRZSA-N 1 0 223.295 2.003 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1cnn(CCF)c1 ZINC000934462241 631855006 /nfs/dbraw/zinc/85/50/06/631855006.db2.gz PYXCWVVJHJNFMF-GFCCVEGCSA-N 1 0 223.295 2.003 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@H]1CC(C)(C)CO1 ZINC000934462591 631855433 /nfs/dbraw/zinc/85/54/33/631855433.db2.gz REDGXPUMANIGGX-VXGBXAGGSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000934462006 631858689 /nfs/dbraw/zinc/85/86/89/631858689.db2.gz PYBDFKYAHPLYSA-STQMWFEESA-N 1 0 225.332 2.180 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000934462000 631859313 /nfs/dbraw/zinc/85/93/13/631859313.db2.gz PYBDFKYAHPLYSA-CHWSQXEVSA-N 1 0 225.332 2.180 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCc1ccncc1 ZINC000934464483 631860587 /nfs/dbraw/zinc/86/05/87/631860587.db2.gz OXRARVZICAFAMQ-CYBMUJFWSA-N 1 0 202.301 2.275 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H]1CCCN(C(C)C)C1=O ZINC000934466640 631861306 /nfs/dbraw/zinc/86/13/06/631861306.db2.gz UTSYYMFKUILFRK-OLZOCXBDSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCCC(C)C ZINC000934471650 631863058 /nfs/dbraw/zinc/86/30/58/631863058.db2.gz KMRHEBHPAMHBIN-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000934470352 631863388 /nfs/dbraw/zinc/86/33/88/631863388.db2.gz CEZFEUMHOPWGEJ-WCQYABFASA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(CC)CC ZINC000934470631 631864840 /nfs/dbraw/zinc/86/48/40/631864840.db2.gz CZRRRAWUHPUKHU-WCQYABFASA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCCCCC ZINC000934470257 631864924 /nfs/dbraw/zinc/86/49/24/631864924.db2.gz ASDLYCSMGGQULY-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H](CC)Nc1cc(C)[nH+]c(N)n1 ZINC000308826659 631870875 /nfs/dbraw/zinc/87/08/75/631870875.db2.gz IAQZMVBWTBNTRL-SECBINFHSA-N 1 0 206.293 2.134 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCCCC1(C)C ZINC000309109215 631888666 /nfs/dbraw/zinc/88/86/66/631888666.db2.gz JCSDQGVZNDYYEB-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCCC1(C)C ZINC000309109217 631888731 /nfs/dbraw/zinc/88/87/31/631888731.db2.gz JCSDQGVZNDYYEB-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC000972236510 631892817 /nfs/dbraw/zinc/89/28/17/631892817.db2.gz AWCMNBDFKDIVPQ-CYBMUJFWSA-N 1 0 248.370 2.061 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1CCC[C@@H]1CCOC1 ZINC000934515188 631894645 /nfs/dbraw/zinc/89/46/45/631894645.db2.gz GZVUWBPWOOLBDG-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CC[C@H](C)O1 ZINC000934516669 631896344 /nfs/dbraw/zinc/89/63/44/631896344.db2.gz NEUSQTFZQFNTTC-YNEHKIRRSA-N 1 0 207.317 2.042 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1Cc1cc(C)ccn1 ZINC000934516578 631897102 /nfs/dbraw/zinc/89/71/02/631897102.db2.gz LXNJMHROCWVIAB-AWEZNQCLSA-N 1 0 214.312 2.378 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000934514761 631897899 /nfs/dbraw/zinc/89/78/99/631897899.db2.gz LQSBJLIVCJIVTE-CQSZACIVSA-N 1 0 243.354 2.135 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NC[C@H](C)C#N)cc1 ZINC000849004054 631901476 /nfs/dbraw/zinc/90/14/76/631901476.db2.gz WDLGNKLLOKVSQX-SNVBAGLBSA-N 1 0 230.315 2.345 20 30 BEEDRO C=C(C)CC[NH2+][C@@](C)(CC)CC(=O)OC ZINC000309155616 631909986 /nfs/dbraw/zinc/90/99/86/631909986.db2.gz XIRGEENMSCBOKT-LBPRGKRZSA-N 1 0 213.321 2.274 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC000309164114 631924885 /nfs/dbraw/zinc/92/48/85/631924885.db2.gz IEEYLKGJUWEXKD-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000309189253 631925064 /nfs/dbraw/zinc/92/50/64/631925064.db2.gz PJGPOPUJHPQOHC-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000309168191 631925154 /nfs/dbraw/zinc/92/51/54/631925154.db2.gz JZOBLQMZWZEOQJ-SNVBAGLBSA-N 1 0 203.289 2.231 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934573097 631944033 /nfs/dbraw/zinc/94/40/33/631944033.db2.gz BKRCSMAWJGZQDJ-NEPJUHHUSA-N 1 0 217.328 2.362 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934573102 631945009 /nfs/dbraw/zinc/94/50/09/631945009.db2.gz BKRCSMAWJGZQDJ-VXGBXAGGSA-N 1 0 217.328 2.362 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1ccc(OC)nn1 ZINC000934645219 632001419 /nfs/dbraw/zinc/00/14/19/632001419.db2.gz OBZVYIUDNOLTDL-UHFFFAOYSA-N 1 0 235.331 2.273 20 30 BEEDRO C=CCCC[N@@H+](CC)CCC(OC)OC ZINC000934646306 632002316 /nfs/dbraw/zinc/00/23/16/632002316.db2.gz FMXSTRBIRSQJFR-UHFFFAOYSA-N 1 0 215.337 2.284 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C)C1 ZINC001023005941 632102443 /nfs/dbraw/zinc/10/24/43/632102443.db2.gz CYNJUSGREBSWLK-AOOOYVTPSA-N 1 0 244.766 2.022 20 30 BEEDRO C#CCCCCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878771851 635798838 /nfs/dbraw/zinc/79/88/38/635798838.db2.gz XMQOKYLTPQIOCD-GJZGRUSLSA-N 1 0 247.386 2.098 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000168201094 632453280 /nfs/dbraw/zinc/45/32/80/632453280.db2.gz IECZULRVTFXKBH-ZJUUUORDSA-N 1 0 248.164 2.442 20 30 BEEDRO C=C(C[NH2+]C1CCS(=O)CC1)c1ccccc1 ZINC000158148860 632460513 /nfs/dbraw/zinc/46/05/13/632460513.db2.gz RIIGMVMITNDFSH-UHFFFAOYSA-N 1 0 249.379 2.201 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cc1cnccn1 ZINC000309552217 632480832 /nfs/dbraw/zinc/48/08/32/632480832.db2.gz IPARGIHDFBQCRH-RYUDHWBXSA-N 1 0 219.332 2.352 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC=CCC1)[C@H]1CCCO1 ZINC000309551912 632481390 /nfs/dbraw/zinc/48/13/90/632481390.db2.gz KSGQBEVHFATHTI-HZSPNIEDSA-N 1 0 219.328 2.113 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CCCCC1)[C@H]1CCCO1 ZINC000309544738 632483953 /nfs/dbraw/zinc/48/39/53/632483953.db2.gz HPOLXQAXVFHNCR-ZIAGYGMSSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000935214593 632530416 /nfs/dbraw/zinc/53/04/16/632530416.db2.gz SMCGVCLJHOAIOA-RWMBFGLXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000935214592 632532121 /nfs/dbraw/zinc/53/21/21/632532121.db2.gz SMCGVCLJHOAIOA-JHJVBQTASA-N 1 0 238.375 2.140 20 30 BEEDRO C[NH+]=C(NCC1(CC(C)C)CC1)NC1CC1 ZINC000176900812 632601428 /nfs/dbraw/zinc/60/14/28/632601428.db2.gz IRXCXCZIUPRQTH-UHFFFAOYSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1nc(C)no1 ZINC000380311303 632815165 /nfs/dbraw/zinc/81/51/65/632815165.db2.gz HFVLNXXVLMYPJG-VIFPVBQESA-N 1 0 209.293 2.385 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)c1cnn(C)n1 ZINC000926666297 632794504 /nfs/dbraw/zinc/79/45/04/632794504.db2.gz RVEFJSJQHFDPOP-LLVKDONJSA-N 1 0 222.336 2.212 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000177385151 632816472 /nfs/dbraw/zinc/81/64/72/632816472.db2.gz XPFMANGTZDXTHB-ZDUSSCGKSA-N 1 0 244.338 2.407 20 30 BEEDRO C[C@H]1CC[C@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339083109 635826019 /nfs/dbraw/zinc/82/60/19/635826019.db2.gz ZDRNGPUSVIMNHS-KBPBESRZSA-N 1 0 236.359 2.429 20 30 BEEDRO CCOCCO[NH+]=C(C)c1ccc(N)cc1 ZINC000309259736 632853526 /nfs/dbraw/zinc/85/35/26/632853526.db2.gz HOEVQKHUDKKJFW-UHFFFAOYSA-N 1 0 222.288 2.046 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCc2ccccc2C1 ZINC000310699957 632890182 /nfs/dbraw/zinc/89/01/82/632890182.db2.gz FMHSZIHDSRMGSH-CYBMUJFWSA-N 1 0 244.338 2.363 20 30 BEEDRO C#CCCCC[NH2+]Cc1nn(C)c2ccccc12 ZINC000229743628 632990247 /nfs/dbraw/zinc/99/02/47/632990247.db2.gz ZUMZWIQCAOUUAH-UHFFFAOYSA-N 1 0 241.338 2.466 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000229835074 632992846 /nfs/dbraw/zinc/99/28/46/632992846.db2.gz UKQGADAPQKVPGL-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CCCOCCNC(=[NH2+])NC1CCCCC1 ZINC000229859746 632994736 /nfs/dbraw/zinc/99/47/36/632994736.db2.gz FPFHDHDEKANPME-UHFFFAOYSA-N 1 0 239.363 2.026 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000229964651 633003247 /nfs/dbraw/zinc/00/32/47/633003247.db2.gz AHRPDOYHUCMKFZ-STQMWFEESA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1nn(C)c2ccccc12 ZINC000229970136 633004582 /nfs/dbraw/zinc/00/45/82/633004582.db2.gz DVYWGTXNTIVJCY-LLVKDONJSA-N 1 0 227.311 2.075 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1COC2(CCC2)C1)C(C)(C)C ZINC000894517026 635905661 /nfs/dbraw/zinc/90/56/61/635905661.db2.gz CLWQSEPLCHQRET-NEPJUHHUSA-N 1 0 221.344 2.336 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000162224306 633024833 /nfs/dbraw/zinc/02/48/33/633024833.db2.gz HGMGLXIMWUCFLE-JTQLQIEISA-N 1 0 219.284 2.075 20 30 BEEDRO C=C(Br)C[NH2+]C1(CO)CCCCC1 ZINC000053097181 633033183 /nfs/dbraw/zinc/03/31/83/633033183.db2.gz UCIOGLGIAHKCKU-UHFFFAOYSA-N 1 0 248.164 2.180 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000926785067 633062843 /nfs/dbraw/zinc/06/28/43/633062843.db2.gz IBPWINUPAQMFAE-QQOHENMQSA-N 1 0 248.370 2.328 20 30 BEEDRO CCNC(NC[C@@H]1CCCC[C@H]1C)=[NH+]CC ZINC000303384220 633082717 /nfs/dbraw/zinc/08/27/17/633082717.db2.gz USARXPBIHCCFAF-NEPJUHHUSA-N 1 0 225.380 2.388 20 30 BEEDRO C#CCCNc1cc[nH+]c2c(O)cccc12 ZINC000309477876 633142186 /nfs/dbraw/zinc/14/21/86/633142186.db2.gz CNDCRUSEUOCEAF-UHFFFAOYSA-N 1 0 212.252 2.376 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCc2ccoc2)cc1 ZINC000170904433 633177104 /nfs/dbraw/zinc/17/71/04/633177104.db2.gz KHJVNHJMLLRNLI-UHFFFAOYSA-N 1 0 245.282 2.215 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000894738624 635919049 /nfs/dbraw/zinc/91/90/49/635919049.db2.gz WPMNERHUHVWWAX-NSHDSACASA-N 1 0 233.311 2.124 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000894738621 635920097 /nfs/dbraw/zinc/92/00/97/635920097.db2.gz WPMNERHUHVWWAX-LLVKDONJSA-N 1 0 233.311 2.124 20 30 BEEDRO CCCCCCCCCNC(=O)C1([NH3+])CC1 ZINC000236633965 633210097 /nfs/dbraw/zinc/21/00/97/633210097.db2.gz QTEIMAWXCBPSNE-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO CCNC(NC[C@H]1CCc2ccccc21)=[NH+]CC ZINC000171801495 633211952 /nfs/dbraw/zinc/21/19/52/633211952.db2.gz IFNXPZKOWSAZHS-CYBMUJFWSA-N 1 0 245.370 2.291 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC(C)(C)C1)[C@H]1CCCO1 ZINC000309731228 633233293 /nfs/dbraw/zinc/23/32/93/633233293.db2.gz BFAODVXMFMUXES-RWMBFGLXSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CC1CCC1 ZINC000328101937 633236560 /nfs/dbraw/zinc/23/65/60/633236560.db2.gz LJXUDVZHVNQAEK-CYBMUJFWSA-N 1 0 222.376 2.110 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000304224029 635936443 /nfs/dbraw/zinc/93/64/43/635936443.db2.gz ILUGIDDVJGDXHT-QNWHQSFQSA-N 1 0 224.348 2.329 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCC1CC1)[C@H]1CCCO1 ZINC000309761718 633243034 /nfs/dbraw/zinc/24/30/34/633243034.db2.gz MSNSQQYBQPCJOG-FPMFFAJLSA-N 1 0 221.344 2.336 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC2(CCCC2)C1 ZINC000304248410 635939743 /nfs/dbraw/zinc/93/97/43/635939743.db2.gz QCXYJTHCWAXDHD-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO COc1ccc(C[NH2+]CC(C)(C)CC#N)nc1 ZINC000894855582 635954733 /nfs/dbraw/zinc/95/47/33/635954733.db2.gz LISBOZQYZKZVQN-UHFFFAOYSA-N 1 0 233.315 2.120 20 30 BEEDRO C=C(Br)CN1CCC12CCOCC2 ZINC000306516419 635970132 /nfs/dbraw/zinc/97/01/32/635970132.db2.gz XZAYREQGGKSOSZ-UHFFFAOYSA-N 1 0 246.148 2.150 20 30 BEEDRO CCOc1cccc(C[NH2+]C[C@@H](C)C#N)c1O ZINC000054179490 636046149 /nfs/dbraw/zinc/04/61/49/636046149.db2.gz BLUXTFKDALFOPC-JTQLQIEISA-N 1 0 234.299 2.040 20 30 BEEDRO CC(C)[C@@H]1CCCC(=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000794531215 636084600 /nfs/dbraw/zinc/08/46/00/636084600.db2.gz SDRZYEAFHHEMTD-WDEREUQCSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163172695 636128814 /nfs/dbraw/zinc/12/88/14/636128814.db2.gz LCJRCAFHIOTYGK-MJBXVCDLSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000320194447 636129441 /nfs/dbraw/zinc/12/94/41/636129441.db2.gz BSAMOCTWDWVWFT-STQMWFEESA-N 1 0 247.338 2.296 20 30 BEEDRO C=CCNN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000794993347 636131521 /nfs/dbraw/zinc/13/15/21/636131521.db2.gz AANNMSVJAIEGHB-UHFFFAOYSA-N 1 0 249.280 2.166 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1csc(C)c1 ZINC000328194851 633741445 /nfs/dbraw/zinc/74/14/45/633741445.db2.gz RAYVPHLLHXLFSH-UHFFFAOYSA-N 1 0 236.384 2.101 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000320225680 636141168 /nfs/dbraw/zinc/14/11/68/636141168.db2.gz HNIOBHBCJXATLQ-AWEZNQCLSA-N 1 0 247.338 2.038 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000328258338 633747698 /nfs/dbraw/zinc/74/76/98/633747698.db2.gz KUWVQHYNBWIKBL-RBSFLKMASA-N 1 0 236.403 2.356 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001020102139 633810534 /nfs/dbraw/zinc/81/05/34/633810534.db2.gz GLCHIUDVCPIWPE-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(OCC)o1 ZINC000893093578 633827942 /nfs/dbraw/zinc/82/79/42/633827942.db2.gz UOVXTRZZJDMOCU-UHFFFAOYSA-N 1 0 207.273 2.181 20 30 BEEDRO Cc1cccc(C[NH+]2CCC(C#N)CC2)c1O ZINC000179924199 633875369 /nfs/dbraw/zinc/87/53/69/633875369.db2.gz KFYKBBKSDNHSHZ-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO CC[C@@H](C[NH2+]CC#Cc1ccccc1)OC ZINC000309372579 633902441 /nfs/dbraw/zinc/90/24/41/633902441.db2.gz QJHWZGUDBMGJNU-AWEZNQCLSA-N 1 0 217.312 2.053 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925529244 633919392 /nfs/dbraw/zinc/91/93/92/633919392.db2.gz XEFZCCFEYXZKRX-ZIAGYGMSSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCSCC[NH2+][C@H](COC)C1CCCC1 ZINC000309450262 633919619 /nfs/dbraw/zinc/91/96/19/633919619.db2.gz KXHIEYUFJCKFMC-CYBMUJFWSA-N 1 0 241.400 2.148 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000309472315 633924866 /nfs/dbraw/zinc/92/48/66/633924866.db2.gz RFPAQJLIVHZGKG-SNVBAGLBSA-N 1 0 217.316 2.157 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCCCCC=C ZINC000895489709 636151057 /nfs/dbraw/zinc/15/10/57/636151057.db2.gz HBKUBSRQAUYHEB-KGLIPLIRSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCCCCC=C ZINC000895489708 636151624 /nfs/dbraw/zinc/15/16/24/636151624.db2.gz HBKUBSRQAUYHEB-KBPBESRZSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000309884818 634038225 /nfs/dbraw/zinc/03/82/25/634038225.db2.gz XQTYBXHVYLZNTL-LLVKDONJSA-N 1 0 218.300 2.154 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCC1(OC)CCCCC1 ZINC000186885698 634087751 /nfs/dbraw/zinc/08/77/51/634087751.db2.gz QLBVJDIUOSXADG-LLVKDONJSA-N 1 0 241.379 2.039 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)c2cccc(C)c2)CC1 ZINC000930821500 634118124 /nfs/dbraw/zinc/11/81/24/634118124.db2.gz GBCSAADHNRSUES-MRXNPFEDSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2snnc2C)C1 ZINC000930884217 634154909 /nfs/dbraw/zinc/15/49/09/634154909.db2.gz ABERCPCOJDLVMV-MNOVXSKESA-N 1 0 235.356 2.253 20 30 BEEDRO CNC(NC[C@@H](Cc1ccccc1)C(C)C)=[NH+]C ZINC000188962520 634159418 /nfs/dbraw/zinc/15/94/18/634159418.db2.gz CESSZZULMJUPIM-CQSZACIVSA-N 1 0 247.386 2.296 20 30 BEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1[C@@H](C#N)c1ccccc1 ZINC000931038789 634191137 /nfs/dbraw/zinc/19/11/37/634191137.db2.gz UIGXISYTZREPFW-YUELXQCFSA-N 1 0 243.354 2.276 20 30 BEEDRO CCCCCCC[N@H+](C[C@H](C)O)[C@@H](C)CO ZINC000190817048 634196433 /nfs/dbraw/zinc/19/64/33/634196433.db2.gz CBFSORRSTQXDIF-STQMWFEESA-N 1 0 231.380 2.020 20 30 BEEDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC#Cc1ccccc1 ZINC000931044658 634197444 /nfs/dbraw/zinc/19/74/44/634197444.db2.gz VKTODOFHICUODB-GOEBONIOSA-N 1 0 242.366 2.063 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000162571738 634207556 /nfs/dbraw/zinc/20/75/56/634207556.db2.gz VVIZSEWAANAVRL-LBPRGKRZSA-N 1 0 232.283 2.139 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000162628151 634236311 /nfs/dbraw/zinc/23/63/11/634236311.db2.gz IYOBINHYTLYUGJ-GOEBONIOSA-N 1 0 242.366 2.262 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000925697937 634362391 /nfs/dbraw/zinc/36/23/91/634362391.db2.gz PUGPMPXBZWOXFE-REWJHTLYSA-N 1 0 221.344 2.115 20 30 BEEDRO C[NH+](C)C1(C)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000931353161 634371481 /nfs/dbraw/zinc/37/14/81/634371481.db2.gz ZYPJZZQHZABSEP-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)c1cnnn1C ZINC000925701991 634375575 /nfs/dbraw/zinc/37/55/75/634375575.db2.gz IYMHTFQUWYIBBQ-NSHDSACASA-N 1 0 224.352 2.436 20 30 BEEDRO CN(CC(C)(C)C[NH3+])c1cccc(F)c1C#N ZINC000093874756 635132792 /nfs/dbraw/zinc/13/27/92/635132792.db2.gz XUTAQMNWDZFSCW-UHFFFAOYSA-N 1 0 235.306 2.118 20 30 BEEDRO CCCSC[C@H](C)[NH2+]C[C@H](C)C#N ZINC000893545623 635133311 /nfs/dbraw/zinc/13/33/11/635133311.db2.gz UNPKAPLMPDWYQM-ZJUUUORDSA-N 1 0 200.351 2.267 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000893568228 635167352 /nfs/dbraw/zinc/16/73/52/635167352.db2.gz SSHNFKWVZHNXEZ-HNNXBMFYSA-N 1 0 248.370 2.307 20 30 BEEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CCC#N)CS1 ZINC000336689008 635219694 /nfs/dbraw/zinc/21/96/94/635219694.db2.gz OBMKDPDZVQTHKE-NXEZZACHSA-N 1 0 212.362 2.410 20 30 BEEDRO N#CCCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000258913981 635224524 /nfs/dbraw/zinc/22/45/24/635224524.db2.gz MPUHTZUXNYZUTC-UHFFFAOYSA-N 1 0 224.254 2.401 20 30 BEEDRO C=CCC[N@H+]1CCCN(C(=O)C=C(C)C)CC1 ZINC000980661677 635253312 /nfs/dbraw/zinc/25/33/12/635253312.db2.gz IJKHJWRWQXDMNC-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CC[N@@H+]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000980681645 635255503 /nfs/dbraw/zinc/25/55/03/635255503.db2.gz ZOZPOVVKVMMSKL-CQSZACIVSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000980693081 635258813 /nfs/dbraw/zinc/25/88/13/635258813.db2.gz MQPCZDGFYFXUTK-CQSZACIVSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CC[N@@H+](C[C@H]1C[C@]1(C)Br)C1CC1 ZINC000893613107 635260875 /nfs/dbraw/zinc/26/08/75/635260875.db2.gz XKUOBALXHVJHHB-KOLCDFICSA-N 1 0 242.160 2.258 20 30 BEEDRO C=CCC[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000980730629 635265554 /nfs/dbraw/zinc/26/55/54/635265554.db2.gz KIJPOGHZESKEIX-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO Cc1ccc(CN[C@H]2CCC[NH2+][C@@H]2C)cc1C#N ZINC000925838325 635498909 /nfs/dbraw/zinc/49/89/09/635498909.db2.gz LRAJHXWITZIADL-DOMZBBRYSA-N 1 0 243.354 2.097 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000411642765 635562012 /nfs/dbraw/zinc/56/20/12/635562012.db2.gz LMSIOFPNFRUJRN-OLZOCXBDSA-N 1 0 246.358 2.292 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000166704253 636173798 /nfs/dbraw/zinc/17/37/98/636173798.db2.gz KLORSAKYMYPDCK-CHWSQXEVSA-N 1 0 221.344 2.480 20 30 BEEDRO C#CCCCCCC[NH+]1CC(COC)C1 ZINC000895970398 636185277 /nfs/dbraw/zinc/18/52/77/636185277.db2.gz WFLYGFTUEHXLGG-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000320300974 636207658 /nfs/dbraw/zinc/20/76/58/636207658.db2.gz SPEJVNPEPKHZOX-TYUFSLCMSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCC(C)(C)SC ZINC000320330513 636226177 /nfs/dbraw/zinc/22/61/77/636226177.db2.gz YYPQIFLHNSVKSF-SNVBAGLBSA-N 1 0 217.378 2.045 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)C=C(C)C)CC1 ZINC000985230278 636264672 /nfs/dbraw/zinc/26/46/72/636264672.db2.gz CWDHFQXFLMQALY-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cccc(OCCOC)c1 ZINC000897166209 636274237 /nfs/dbraw/zinc/27/42/37/636274237.db2.gz JMICNKHGMADFKW-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000179093687 636313531 /nfs/dbraw/zinc/31/35/31/636313531.db2.gz XBYQMXMZHQAIQI-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C=CCSCCNC(=[NH2+])NCCCCCC ZINC000303984711 636319958 /nfs/dbraw/zinc/31/99/58/636319958.db2.gz SIJIRMQKLVRJSS-UHFFFAOYSA-N 1 0 243.420 2.390 20 30 BEEDRO CCNC(N[C@@H]1C[C@H]1c1ccccc1F)=[NH+]CC ZINC000303988506 636320904 /nfs/dbraw/zinc/32/09/04/636320904.db2.gz WRJRSTWUVLAEFZ-WCQYABFASA-N 1 0 249.333 2.257 20 30 BEEDRO CCCCNC(=[NH2+])NCC[C@@H](OCC)C(C)C ZINC000304658708 636323825 /nfs/dbraw/zinc/32/38/25/636323825.db2.gz JCSGJLGWAUOTEZ-GFCCVEGCSA-N 1 0 243.395 2.142 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000305789952 636333476 /nfs/dbraw/zinc/33/34/76/636333476.db2.gz CNZVRSCXUSUZGX-AWEZNQCLSA-N 1 0 230.311 2.100 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000925161187 636343052 /nfs/dbraw/zinc/34/30/52/636343052.db2.gz ISKICKVVESKKRP-KGLIPLIRSA-N 1 0 223.360 2.321 20 30 BEEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H](C)C#N ZINC000909612006 636343282 /nfs/dbraw/zinc/34/32/82/636343282.db2.gz DCACITSZZQWKOP-NSHDSACASA-N 1 0 245.326 2.155 20 30 BEEDRO C#CCCC[NH2+][C@H](C)C1(Br)CC1 ZINC000925161745 636344137 /nfs/dbraw/zinc/34/41/37/636344137.db2.gz LEFCXNXKJFQQEH-SECBINFHSA-N 1 0 230.149 2.305 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(OCC#N)cc1)C1CC1 ZINC000035012505 636368967 /nfs/dbraw/zinc/36/89/67/636368967.db2.gz VEVWKURCPASRFT-LLVKDONJSA-N 1 0 230.311 2.477 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccoc2)[C@@H]1C ZINC000985962441 636458098 /nfs/dbraw/zinc/45/80/98/636458098.db2.gz MMGAEDXIHDVKDL-YPMHNXCESA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(CC)CC)[C@H]1C ZINC000985999087 636463070 /nfs/dbraw/zinc/46/30/70/636463070.db2.gz BYZBMZSGKGZXMZ-WCQYABFASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2CC=CC2)[C@@H]1C ZINC000986087335 636497795 /nfs/dbraw/zinc/49/77/95/636497795.db2.gz XRWMBNJECSOGEU-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)[C@@H]1C ZINC000986099530 636504111 /nfs/dbraw/zinc/50/41/11/636504111.db2.gz FHSPVSCUINELPX-WQYAIIHGSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2=CCCC2)[C@@H]1C ZINC000986134141 636527711 /nfs/dbraw/zinc/52/77/11/636527711.db2.gz COILJMCEBNHXKK-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C=C(C)C)C1 ZINC000987869588 636671095 /nfs/dbraw/zinc/67/10/95/636671095.db2.gz SVHFQFYALDHCQW-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988434190 636709822 /nfs/dbraw/zinc/70/98/22/636709822.db2.gz DCMNGFLJRUNORW-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC23CCC3)nc1 ZINC000800491109 636726999 /nfs/dbraw/zinc/72/69/99/636726999.db2.gz TVPHIVDTJZUFKH-ZDUSSCGKSA-N 1 0 227.311 2.376 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CC12CC(O)C2 ZINC000897845181 636837556 /nfs/dbraw/zinc/83/75/56/636837556.db2.gz ZOEUAFFEYBPFLU-MOKVOYLWSA-N 1 0 221.344 2.073 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC23CC(O)C3)C1 ZINC000897844753 636838180 /nfs/dbraw/zinc/83/81/80/636838180.db2.gz VHQLRGXUQJMOJY-WCCYQHBJSA-N 1 0 221.344 2.234 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000898012141 636853749 /nfs/dbraw/zinc/85/37/49/636853749.db2.gz ZASZWUQBWDVFNN-OKZRHMCRSA-N 1 0 211.349 2.338 20 30 BEEDRO C[N@H+](Cc1ccc(OCC#N)cc1)C1CC1 ZINC000264581051 636862529 /nfs/dbraw/zinc/86/25/29/636862529.db2.gz VMSUKNAOYWCASF-UHFFFAOYSA-N 1 0 216.284 2.183 20 30 BEEDRO O[C@H]1CCCC[C@@H]1C[NH2+]CC#Cc1ccccc1 ZINC000085985122 636880924 /nfs/dbraw/zinc/88/09/24/636880924.db2.gz DWCGVZRKNCSIFE-CVEARBPZSA-N 1 0 243.350 2.179 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@]2(NC(C)=O)CCC[C@@H]12 ZINC000989877269 636892021 /nfs/dbraw/zinc/89/20/21/636892021.db2.gz OHNXGJZRZHPVKB-ZIAGYGMSSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)/C=C(\C)C2CC2)CC1 ZINC000990032572 636914655 /nfs/dbraw/zinc/91/46/55/636914655.db2.gz FEAFABUGNVTRRE-VAWYXSNFSA-N 1 0 248.370 2.109 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)CO)cc1C#N ZINC000926961163 636973405 /nfs/dbraw/zinc/97/34/05/636973405.db2.gz IEILGQGBOAJUMW-GFCCVEGCSA-N 1 0 246.354 2.363 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c1 ZINC000898387494 637041011 /nfs/dbraw/zinc/04/10/11/637041011.db2.gz PCYQHSQXSOVMAD-LSDHHAIUSA-N 1 0 242.322 2.073 20 30 BEEDRO CCN1CCC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000924746997 637071159 /nfs/dbraw/zinc/07/11/59/637071159.db2.gz HTNPNIGORMNSQT-OLZOCXBDSA-N 1 0 237.391 2.389 20 30 BEEDRO C=C(CC)Cn1cc([C@@H]2CCCC[NH2+]2)nn1 ZINC000899711698 637131041 /nfs/dbraw/zinc/13/10/41/637131041.db2.gz HWBGULDZNAQZSM-NSHDSACASA-N 1 0 220.320 2.059 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)CC1(C)C ZINC000900928602 637211130 /nfs/dbraw/zinc/21/11/30/637211130.db2.gz WWYBLLCLJOTUQS-LLVKDONJSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903131877 637345875 /nfs/dbraw/zinc/34/58/75/637345875.db2.gz KYEZORMXEIGTOF-ZIAGYGMSSA-N 1 0 241.375 2.494 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccccc1NC ZINC000904438682 637409013 /nfs/dbraw/zinc/40/90/13/637409013.db2.gz BNYONKRATILGOO-UHFFFAOYSA-N 1 0 234.343 2.411 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H](N)CC(F)F ZINC000904470876 637425103 /nfs/dbraw/zinc/42/51/03/637425103.db2.gz CKRYVKRYZXSDNE-SNVBAGLBSA-N 1 0 220.307 2.257 20 30 BEEDRO C=CC(C)(C)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000904504592 637430474 /nfs/dbraw/zinc/43/04/74/637430474.db2.gz PTWLCLZCFWVTAI-UHFFFAOYSA-N 1 0 233.315 2.231 20 30 BEEDRO C=C(C)c1ccc([C@@]2(O)CCC[NH2+]C2)cc1 ZINC000904795653 637490373 /nfs/dbraw/zinc/49/03/73/637490373.db2.gz SUTMYIUOXIWDKP-CQSZACIVSA-N 1 0 217.312 2.291 20 30 BEEDRO C=CCCCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905047556 637566031 /nfs/dbraw/zinc/56/60/31/637566031.db2.gz LHVWWCRNYDPVOH-LLVKDONJSA-N 1 0 241.404 2.352 20 30 BEEDRO C=CCCC[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905242757 637726026 /nfs/dbraw/zinc/72/60/26/637726026.db2.gz KSWFQRSQYUQOND-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905274428 637732426 /nfs/dbraw/zinc/73/24/26/637732426.db2.gz SCISGPOFXRUERY-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO Cc1cccc([C@H](O)C[NH2+]CC2(C#N)CCC2)c1 ZINC000905291187 637742441 /nfs/dbraw/zinc/74/24/41/637742441.db2.gz YPGKRRLBUVODMO-CQSZACIVSA-N 1 0 244.338 2.312 20 30 BEEDRO CCC[C@@H](C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905421858 637804980 /nfs/dbraw/zinc/80/49/80/637804980.db2.gz DDEVVCSVWXWGCT-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC[C@H](C)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905421861 637806200 /nfs/dbraw/zinc/80/62/00/637806200.db2.gz DDEVVCSVWXWGCT-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@]1(C)CC1(C)C ZINC000905425071 637811333 /nfs/dbraw/zinc/81/13/33/637811333.db2.gz MSIJCIGJWMNIMD-RISCZKNCSA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@]1(C[NH2+]CCC#N)CCOC2(CCC2)C1 ZINC000905489261 637834908 /nfs/dbraw/zinc/83/49/08/637834908.db2.gz AMHJBQWJMYSWLX-LBPRGKRZSA-N 1 0 222.332 2.229 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CCS1 ZINC000905611779 637866517 /nfs/dbraw/zinc/86/65/17/637866517.db2.gz YFFKMCYORPMITD-WOPDTQHZSA-N 1 0 237.372 2.304 20 30 BEEDRO C=C/C=C\CC[NH2+]C[C@@H](C#N)CCC#N ZINC000905781988 637910738 /nfs/dbraw/zinc/91/07/38/637910738.db2.gz XAQSCOZZJCCJCH-VSQXVHSFSA-N 1 0 203.289 2.152 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@H]1CCCOC1 ZINC000905804517 637933917 /nfs/dbraw/zinc/93/39/17/637933917.db2.gz NYVPULFGZHQAHX-RDBSUJKOSA-N 1 0 249.358 2.225 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1CCCOC1 ZINC000905804515 637934151 /nfs/dbraw/zinc/93/41/51/637934151.db2.gz NYVPULFGZHQAHX-MCIONIFRSA-N 1 0 249.358 2.225 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000905809258 637936412 /nfs/dbraw/zinc/93/64/12/637936412.db2.gz VVTQVSCSPBHKHM-STQMWFEESA-N 1 0 247.342 2.121 20 30 BEEDRO CC1(C)CO[C@H](CC[NH2+]C[C@H](C#N)CCC#N)C1 ZINC000905834546 637940244 /nfs/dbraw/zinc/94/02/44/637940244.db2.gz RVKDAXDXNVHHNJ-QWHCGFSZSA-N 1 0 249.358 2.225 20 30 BEEDRO CC[C@H]([NH3+])c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815426 637941944 /nfs/dbraw/zinc/94/19/44/637941944.db2.gz IJWSRVGUDUEQNY-MCIGGMRASA-N 1 0 247.346 2.018 20 30 BEEDRO N#CC1(C[C@@H](O)Cn2ccnc2C2CC2)CCC1 ZINC000905966051 637983974 /nfs/dbraw/zinc/98/39/74/637983974.db2.gz QGEDLBNUIYAUOM-GFCCVEGCSA-N 1 0 245.326 2.205 20 30 BEEDRO CC(C)C1C[NH+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000905953793 638001842 /nfs/dbraw/zinc/00/18/42/638001842.db2.gz PLWFUDGZQLWDOW-CYBMUJFWSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(Cl)o1 ZINC000164315991 638109859 /nfs/dbraw/zinc/10/98/59/638109859.db2.gz VHFVYVHKYZHMDS-UHFFFAOYSA-N 1 0 229.732 2.389 20 30 BEEDRO C=CC1CCN(Cc2cn(C3CC3)nn2)CC1 ZINC000906266974 638130717 /nfs/dbraw/zinc/13/07/17/638130717.db2.gz WKSMUVSVAVZLQZ-UHFFFAOYSA-N 1 0 232.331 2.011 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCON=CC1CC1 ZINC000906507897 638180187 /nfs/dbraw/zinc/18/01/87/638180187.db2.gz SBRIYSUMGSHGBD-LBPRGKRZSA-N 1 0 210.321 2.273 20 30 BEEDRO CCCC[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000906534085 638201939 /nfs/dbraw/zinc/20/19/39/638201939.db2.gz NZQMTGRWWJUIAK-AWEZNQCLSA-N 1 0 214.312 2.415 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000906586713 638213078 /nfs/dbraw/zinc/21/30/78/638213078.db2.gz JCYKVSWDGPRWAJ-CHWSQXEVSA-N 1 0 203.260 2.247 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)[C@@H]1CC ZINC000907484767 638389871 /nfs/dbraw/zinc/38/98/71/638389871.db2.gz CIIAXGQOGSZGOF-AAEUAGOBSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C(=C)CC[NH+](C)C ZINC000908395996 638693751 /nfs/dbraw/zinc/69/37/51/638693751.db2.gz CNQLVYIEIPQLQU-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908930629 639104545 /nfs/dbraw/zinc/10/45/45/639104545.db2.gz XVVCUEOSKFYCHZ-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccccc1OC ZINC000930202432 639637542 /nfs/dbraw/zinc/63/75/42/639637542.db2.gz VYYCSBOFYLDVMR-DGCLKSJQSA-N 1 0 248.326 2.010 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)[C@H](C)O)c1ccccc1 ZINC000930227311 639642381 /nfs/dbraw/zinc/64/23/81/639642381.db2.gz FLXFQJKREYVKHR-AEGPPILISA-N 1 0 249.354 2.025 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000930377570 639738313 /nfs/dbraw/zinc/73/83/13/639738313.db2.gz XQCWQLQHOSHTQK-OAHLLOKOSA-N 1 0 242.322 2.050 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911768434 639794128 /nfs/dbraw/zinc/79/41/28/639794128.db2.gz QMWBOWFJSZCFAH-GXTWGEPZSA-N 1 0 246.354 2.405 20 30 BEEDRO COc1ccc(C[C@@H](C)[NH2+]CCC#N)cc1 ZINC000035648196 639795432 /nfs/dbraw/zinc/79/54/32/639795432.db2.gz TWUKVHNZUCDRDT-LLVKDONJSA-N 1 0 218.300 2.129 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]CC1CCC(C#N)CC1 ZINC000930521120 639796919 /nfs/dbraw/zinc/79/69/19/639796919.db2.gz XEOYZELJRMXPMG-JXQTWKCFSA-N 1 0 238.375 2.313 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH2+]C(C)C ZINC000911762042 639802069 /nfs/dbraw/zinc/80/20/69/639802069.db2.gz JSKXLTVFGGFZIT-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000930587484 639814172 /nfs/dbraw/zinc/81/41/72/639814172.db2.gz CGVBSOUTNZOZQR-VHSXEESVSA-N 1 0 235.249 2.051 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCC[C@@H](O)CC2)CC1 ZINC000930587521 639814303 /nfs/dbraw/zinc/81/43/03/639814303.db2.gz AOXFDVARUXRGLW-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(Cl)nn1 ZINC000930600238 639816585 /nfs/dbraw/zinc/81/65/85/639816585.db2.gz GWJCSSGOQLUTEI-LLVKDONJSA-N 1 0 223.707 2.022 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000930599521 639816924 /nfs/dbraw/zinc/81/69/24/639816924.db2.gz ABOTYPPFPBOFII-VHSXEESVSA-N 1 0 237.265 2.081 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000911824007 639837566 /nfs/dbraw/zinc/83/75/66/639837566.db2.gz LTZCENGNDIMSKU-XQQFMLRXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911825946 639837699 /nfs/dbraw/zinc/83/76/99/639837699.db2.gz PECROZXKPFHIAD-XQQFMLRXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(CC)o1 ZINC000930645813 639842312 /nfs/dbraw/zinc/84/23/12/639842312.db2.gz FKMIEQQSPJIVLD-NEPJUHHUSA-N 1 0 236.315 2.060 20 30 BEEDRO CC(C)(C)C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930670964 639855445 /nfs/dbraw/zinc/85/54/45/639855445.db2.gz PHYVWKDGIYLAQV-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1C[C@H](O)C[N@H+](CC2CCC(C#N)CC2)C1 ZINC000930671045 639855937 /nfs/dbraw/zinc/85/59/37/639855937.db2.gz OXVVQTKMEOHJCX-RYSNWHEDSA-N 1 0 236.359 2.019 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000930692602 639862381 /nfs/dbraw/zinc/86/23/81/639862381.db2.gz HXMGAXYNFGNACN-UONOGXRCSA-N 1 0 232.327 2.310 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](COC)C(C)C ZINC000930691829 639862766 /nfs/dbraw/zinc/86/27/66/639862766.db2.gz AHXUTEFLPYDKGI-RYUDHWBXSA-N 1 0 212.337 2.187 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCCCCCC ZINC000911927017 639882360 /nfs/dbraw/zinc/88/23/60/639882360.db2.gz IUMZVYYTJVXAKT-LBPRGKRZSA-N 1 0 226.364 2.367 20 30 BEEDRO C[N@H+](C[C@H](O)CC#N)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000930742267 639890277 /nfs/dbraw/zinc/89/02/77/639890277.db2.gz FVAMTSFBWXIUFA-AGIUHOORSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CC1CCC(C#N)CC1 ZINC000930752494 639898328 /nfs/dbraw/zinc/89/83/28/639898328.db2.gz XCVAQZTVXKIQIV-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCc1cccs1 ZINC000911980102 639901901 /nfs/dbraw/zinc/90/19/01/639901901.db2.gz MHAABWZYZAUFDB-LLVKDONJSA-N 1 0 238.356 2.048 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000930816534 639918993 /nfs/dbraw/zinc/91/89/93/639918993.db2.gz MPYNINAHLBXDEW-CYBMUJFWSA-N 1 0 249.333 2.088 20 30 BEEDRO C#CC1CC[NH+](Cc2c(C)noc2CC)CC1 ZINC000930821305 639922078 /nfs/dbraw/zinc/92/20/78/639922078.db2.gz LPRQMGFAQHDXTN-UHFFFAOYSA-N 1 0 232.327 2.391 20 30 BEEDRO CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1C[NH3+] ZINC000912113610 639951022 /nfs/dbraw/zinc/95/10/22/639951022.db2.gz OKZFHCQCPWUTRQ-CHWSQXEVSA-N 1 0 240.391 2.448 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@](O)(CC)C(F)(F)F)C1 ZINC000930884816 639969595 /nfs/dbraw/zinc/96/95/95/639969595.db2.gz HIDUMOZXVPKXOS-QWRGUYRKSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CCN(Cc1cc(C)cc(C)n1)C1CSC1 ZINC000930959871 639998533 /nfs/dbraw/zinc/99/85/33/639998533.db2.gz FJXVUOKKLASTLP-UHFFFAOYSA-N 1 0 246.379 2.249 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C/C(C)=C\C(=O)OC)C1 ZINC000930962543 640001284 /nfs/dbraw/zinc/00/12/84/640001284.db2.gz OBLJZHDPVOVUME-SUIFULHWSA-N 1 0 237.343 2.394 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000930963171 640001616 /nfs/dbraw/zinc/00/16/16/640001616.db2.gz SXOOVXGRZAETFS-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000930994991 640013691 /nfs/dbraw/zinc/01/36/91/640013691.db2.gz XXLJHIPMHXXPLC-ZIAGYGMSSA-N 1 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C=CC[C@H]1CC[N@@H+](Cc2cc(C)nnc2C)C1 ZINC000931163971 640084394 /nfs/dbraw/zinc/08/43/94/640084394.db2.gz REIRVIJGPPOMDZ-ZDUSSCGKSA-N 1 0 231.343 2.491 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC(C)C)C1CC1 ZINC000912482590 640096273 /nfs/dbraw/zinc/09/62/73/640096273.db2.gz QEHPPNCYDHAFQU-CYBMUJFWSA-N 1 0 238.375 2.317 20 30 BEEDRO CCC[NH+]=C(N[C@@H]1C[C@H]1C)NC(C)(C)C ZINC000912509731 640100784 /nfs/dbraw/zinc/10/07/84/640100784.db2.gz OQMXXCIGBBXWGU-NXEZZACHSA-N 1 0 211.353 2.139 20 30 BEEDRO CCC[NH+]=C(NCC1CC1)NC(C)(C)C ZINC000912509645 640101172 /nfs/dbraw/zinc/10/11/72/640101172.db2.gz NFLBBNQNTZXINY-UHFFFAOYSA-N 1 0 211.353 2.140 20 30 BEEDRO CC(C)NC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912509665 640102107 /nfs/dbraw/zinc/10/21/07/640102107.db2.gz OARYLJNRNDHNJD-UHFFFAOYSA-N 1 0 211.353 2.139 20 30 BEEDRO C=CCNC(NC[C@@H](C)SC)=[NH+]C(C)(C)C ZINC000912497552 640108399 /nfs/dbraw/zinc/10/83/99/640108399.db2.gz UTOIWYFVKLSDRB-SNVBAGLBSA-N 1 0 243.420 2.258 20 30 BEEDRO C=C(CC)C[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931310061 640147620 /nfs/dbraw/zinc/14/76/20/640147620.db2.gz BMIUGCNNFLGSCS-KBPBESRZSA-N 1 0 222.376 2.226 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C(=C)CC[NH+](C)C ZINC000912729275 640181038 /nfs/dbraw/zinc/18/10/38/640181038.db2.gz YQFPKTKSILIYPP-UHFFFAOYSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@](C)(CO)Cc1ccccc1OC ZINC000931601027 640283324 /nfs/dbraw/zinc/28/33/24/640283324.db2.gz KYBHSXGZUPXUPK-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C#CCC[N@H+]1CCSC[C@H]1C(C)(C)C ZINC000931596640 640283573 /nfs/dbraw/zinc/28/35/73/640283573.db2.gz JXMMYKOQGDSBCP-NSHDSACASA-N 1 0 211.374 2.473 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CO)Cc1ccccc1OC ZINC000931601029 640284395 /nfs/dbraw/zinc/28/43/95/640284395.db2.gz KYBHSXGZUPXUPK-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000931660503 640307965 /nfs/dbraw/zinc/30/79/65/640307965.db2.gz HMEJABBMDIHCLN-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000931693767 640320988 /nfs/dbraw/zinc/32/09/88/640320988.db2.gz YVTFEIYFVRJCFE-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnc(CC)o2)C1 ZINC000931714392 640331859 /nfs/dbraw/zinc/33/18/59/640331859.db2.gz GCFRVZHFVVSKFE-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC000931715356 640333660 /nfs/dbraw/zinc/33/36/60/640333660.db2.gz TZIFPMDLTITODM-ZBFHGGJFSA-N 1 0 243.350 2.374 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)C)C[C@@H]1C ZINC000947071630 640372331 /nfs/dbraw/zinc/37/23/31/640372331.db2.gz XAZRZIOSWJIORT-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000931904113 640387396 /nfs/dbraw/zinc/38/73/96/640387396.db2.gz TVJYEJVNEGBEAW-CVEARBPZSA-N 1 0 243.350 2.463 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932134027 640437292 /nfs/dbraw/zinc/43/72/92/640437292.db2.gz WCCHWQGTCDBGEE-KBPBESRZSA-N 1 0 245.370 2.401 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932260693 640461661 /nfs/dbraw/zinc/46/16/61/640461661.db2.gz KGCNKROVUPYTIJ-LBPRGKRZSA-N 1 0 205.305 2.133 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000044724236 640463058 /nfs/dbraw/zinc/46/30/58/640463058.db2.gz ULIWFIPFGYTXHK-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO Cc1cc(C[N@@H+]2CCO[C@H](C)CC2)ccc1C#N ZINC000932338502 640481884 /nfs/dbraw/zinc/48/18/84/640481884.db2.gz BPNGQCBKGGMNCY-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](c1ncccn1)C1CC1 ZINC000932351951 640493359 /nfs/dbraw/zinc/49/33/59/640493359.db2.gz JBFOTOCCMOMKRM-CMPLNLGQSA-N 1 0 217.316 2.482 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[N@H+](CC)CC1 ZINC000932352758 640496687 /nfs/dbraw/zinc/49/66/87/640496687.db2.gz SYEDVJBLUBHACS-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]CCCSCC#N ZINC000932370445 640500406 /nfs/dbraw/zinc/50/04/06/640500406.db2.gz RVVHSQMSYJZYDG-JTQLQIEISA-N 1 0 230.377 2.036 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@@H]2CCC[C@@H]2O1)C(C)C ZINC000932382621 640507256 /nfs/dbraw/zinc/50/72/56/640507256.db2.gz ARFLVTMBSLETCS-IHRRRGAJSA-N 1 0 221.344 2.288 20 30 BEEDRO C#CCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932384305 640509652 /nfs/dbraw/zinc/50/96/52/640509652.db2.gz RGKLCNSOAUIKIW-CYBMUJFWSA-N 1 0 200.285 2.146 20 30 BEEDRO C#CC[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C(C)C ZINC000932383641 640509976 /nfs/dbraw/zinc/50/99/76/640509976.db2.gz JTALRMYZBAEVTL-GHMZBOCLSA-N 1 0 249.276 2.440 20 30 BEEDRO C#CC[N@H+](C[C@H](O)[C@H](C)c1ccccc1)C(C)C ZINC000932388133 640512668 /nfs/dbraw/zinc/51/26/68/640512668.db2.gz VPOYXOANPULMGL-ZBFHGGJFSA-N 1 0 245.366 2.495 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OCC)C1CC1)C(C)C ZINC000932384740 640513128 /nfs/dbraw/zinc/51/31/28/640513128.db2.gz XDUXBQJWLAQLKI-CYBMUJFWSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@@H+](Cc1cc(OC)cc(C)n1)C(C)C ZINC000932388523 640513604 /nfs/dbraw/zinc/51/36/04/640513604.db2.gz MYCKRSGIGIYOME-UHFFFAOYSA-N 1 0 232.327 2.242 20 30 BEEDRO C#CC[N@@H+](CCCc1ccncc1)C(C)C ZINC000932387248 640515696 /nfs/dbraw/zinc/51/56/96/640515696.db2.gz CMKBWQYOJQADII-UHFFFAOYSA-N 1 0 216.328 2.358 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)nnc1C)C(C)(C)C ZINC000932459988 640531418 /nfs/dbraw/zinc/53/14/18/640531418.db2.gz CWBBEAPEOVQINA-UHFFFAOYSA-N 1 0 231.343 2.327 20 30 BEEDRO C#CC[N@H+](Cc1ccc(Cl)nn1)C(C)(C)C ZINC000932462128 640534011 /nfs/dbraw/zinc/53/40/11/640534011.db2.gz OYCLHSCZQYSAGP-UHFFFAOYSA-N 1 0 237.734 2.364 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCCOC1)C(C)(C)C ZINC000932465034 640536787 /nfs/dbraw/zinc/53/67/87/640536787.db2.gz QWWUMICTPZEVIT-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](Cc1cnoc1C)C(C)(C)C ZINC000932463980 640538364 /nfs/dbraw/zinc/53/83/64/640538364.db2.gz RLQVBHZNKXIPMY-UHFFFAOYSA-N 1 0 206.289 2.217 20 30 BEEDRO CCCCCCC[N@H+](CC)CCC(N)=O ZINC000932481613 640547941 /nfs/dbraw/zinc/54/79/41/640547941.db2.gz YKMKOJGJFBYZDJ-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000932490042 640554015 /nfs/dbraw/zinc/55/40/15/640554015.db2.gz VUKURBXONOPCNZ-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1COC[C@@H]1C ZINC000932488567 640554097 /nfs/dbraw/zinc/55/40/97/640554097.db2.gz LQIWCRXJLUNNTL-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000932490469 640554303 /nfs/dbraw/zinc/55/43/03/640554303.db2.gz XJNVBFIJUXBBRC-RISCZKNCSA-N 1 0 249.741 2.316 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1COC[C@H]1C ZINC000932488565 640554317 /nfs/dbraw/zinc/55/43/17/640554317.db2.gz LQIWCRXJLUNNTL-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[NH+]=C(NC[C@@H](C)SC)NC(C)(C)C ZINC000156995637 640559469 /nfs/dbraw/zinc/55/94/69/640559469.db2.gz OGYGZXKQPRWNAS-SECBINFHSA-N 1 0 231.409 2.092 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CC[N@H+](C)[C@H](C)C1 ZINC000165481576 640580086 /nfs/dbraw/zinc/58/00/86/640580086.db2.gz SBCYZJMKFHCGOY-CYBMUJFWSA-N 1 0 243.354 2.003 20 30 BEEDRO N#CCCCC[N@@H+]1CCn2nc(C3CC3)cc2C1 ZINC000932605984 640583783 /nfs/dbraw/zinc/58/37/83/640583783.db2.gz IHHDYOJXSSPARM-UHFFFAOYSA-N 1 0 244.342 2.270 20 30 BEEDRO N#CCC1(C[NH+]2CCC(O)(C3CCC3)CC2)CC1 ZINC000932813384 640613416 /nfs/dbraw/zinc/61/34/16/640613416.db2.gz CGONHSHWTGKAQC-UHFFFAOYSA-N 1 0 248.370 2.307 20 30 BEEDRO CCOC1CC([NH2+]Cc2cc(C#N)ccc2F)C1 ZINC000224431231 640618476 /nfs/dbraw/zinc/61/84/76/640618476.db2.gz HNUZSKGWHJIWGE-UHFFFAOYSA-N 1 0 248.301 2.354 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC000166392430 640633894 /nfs/dbraw/zinc/63/38/94/640633894.db2.gz VKNUNVCAFABBGU-LLVKDONJSA-N 1 0 214.312 2.156 20 30 BEEDRO C=CCCCCC[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933230073 640686662 /nfs/dbraw/zinc/68/66/62/640686662.db2.gz DGSMCTOEXCEIMV-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCc2c(ncn2CC)C1 ZINC000933253837 640690464 /nfs/dbraw/zinc/69/04/64/640690464.db2.gz ULWWEJZHUZWUMN-NSHDSACASA-N 1 0 219.332 2.226 20 30 BEEDRO C#CCC1([NH2+]CCO[C@@H](C)C#N)CCCCC1 ZINC000933266631 640693657 /nfs/dbraw/zinc/69/36/57/640693657.db2.gz XKCMDWVHJBJYPE-ZDUSSCGKSA-N 1 0 234.343 2.231 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)CC)CCCCC1 ZINC000933264857 640693707 /nfs/dbraw/zinc/69/37/07/640693707.db2.gz HSILZIXQGQKWIG-LBPRGKRZSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCCN2C)CCCCC1 ZINC000933265602 640694241 /nfs/dbraw/zinc/69/42/41/640694241.db2.gz FVRBDILNPCZSKB-CQSZACIVSA-N 1 0 234.387 2.396 20 30 BEEDRO C#CCC1([NH2+]Cc2nncs2)CCCCC1 ZINC000933266197 640694329 /nfs/dbraw/zinc/69/43/29/640694329.db2.gz QVBKNZHGGSXFRK-UHFFFAOYSA-N 1 0 235.356 2.354 20 30 BEEDRO C=CCCCC[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933286215 640697710 /nfs/dbraw/zinc/69/77/10/640697710.db2.gz ZWQVBFLWWXLNOO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)CCC1 ZINC000933292505 640698675 /nfs/dbraw/zinc/69/86/75/640698675.db2.gz AVINYCUMLZGFPK-KBPBESRZSA-N 1 0 233.355 2.480 20 30 BEEDRO 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C#C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@H]1CCCO1 ZINC000754099242 641715444 /nfs/dbraw/zinc/71/54/44/641715444.db2.gz CABYBYXDQLEPLD-UONOGXRCSA-N 1 0 233.355 2.480 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](N(C)C(=O)CC)CC1 ZINC000948108366 641774192 /nfs/dbraw/zinc/77/41/92/641774192.db2.gz CGTKSTGYCMKQNK-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(F)nc1 ZINC000189058899 641783962 /nfs/dbraw/zinc/78/39/62/641783962.db2.gz FYVZECGJPBSILM-UHFFFAOYSA-N 1 0 226.320 2.230 20 30 BEEDRO C#C[C@H](CC)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835310628 641786244 /nfs/dbraw/zinc/78/62/44/641786244.db2.gz IKYXCUDBLGJRJL-CQSZACIVSA-N 1 0 245.322 2.317 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000189130410 641788921 /nfs/dbraw/zinc/78/89/21/641788921.db2.gz GBSWLKVVQXWAEE-WDEREUQCSA-N 1 0 249.362 2.403 20 30 BEEDRO COc1cccc(N=NC(C)CC[NH+](C)C)c1 ZINC000915956132 641888399 /nfs/dbraw/zinc/88/83/99/641888399.db2.gz QRYXICWVDBOCPX-UHFFFAOYSA-N 1 0 235.331 2.435 20 30 BEEDRO C(=NNCC[NH+]1CCCCC1)[C@@H]1CC=CCC1 ZINC000915973341 641891513 /nfs/dbraw/zinc/89/15/13/641891513.db2.gz FNIXFWAMCQPCML-CQSZACIVSA-N 1 0 235.375 2.404 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000925428115 641917309 /nfs/dbraw/zinc/91/73/09/641917309.db2.gz AXHNMQQPDRMFPZ-VHSXEESVSA-N 1 0 206.289 2.402 20 30 BEEDRO C#CCN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000078516982 641930371 /nfs/dbraw/zinc/93/03/71/641930371.db2.gz CIDMKRCGJBQBLP-UHFFFAOYSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccccc1O ZINC000191756029 641942128 /nfs/dbraw/zinc/94/21/28/641942128.db2.gz GGGNRMGMHYBNTM-UHFFFAOYSA-N 1 0 221.300 2.027 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CSc1ccncc1C#N ZINC000918050314 642161160 /nfs/dbraw/zinc/16/11/60/642161160.db2.gz XXNDPUOXRDOWOY-LLVKDONJSA-N 1 0 233.340 2.140 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308355101 711516970 /nfs/dbraw/zinc/51/69/70/711516970.db2.gz YHCAZBGIGZIJAZ-NEPJUHHUSA-N 1 0 241.400 2.453 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925455478 642244299 /nfs/dbraw/zinc/24/42/99/642244299.db2.gz NIZBVIWHFYEYBB-QWHCGFSZSA-N 1 0 241.400 2.004 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000307190876 642362189 /nfs/dbraw/zinc/36/21/89/642362189.db2.gz AMWLLZGYMKDAQA-HRDYMLBCSA-N 1 0 234.137 2.051 20 30 BEEDRO C#C[C@@H]1CCCN(CCC[NH+](CC)CC)C1 ZINC000847017340 642385590 /nfs/dbraw/zinc/38/55/90/642385590.db2.gz BTVJFMCRWIYLJS-CQSZACIVSA-N 1 0 222.376 2.064 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000307547077 642406408 /nfs/dbraw/zinc/40/64/08/642406408.db2.gz LCHJCJNGGMMWNG-NXEZZACHSA-N 1 0 203.713 2.238 20 30 BEEDRO CC(C)C[C@H]1CN(C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000933253021 642420630 /nfs/dbraw/zinc/42/06/30/642420630.db2.gz MWMDQWCAPKJZCO-AWEZNQCLSA-N 1 0 249.402 2.342 20 30 BEEDRO C#CCC1([NH2+]CCOCC)CCCCC1 ZINC000933265372 642433817 /nfs/dbraw/zinc/43/38/17/642433817.db2.gz YGVBKMMXYYJDFM-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCC1([NH2+]CCCC(=O)OC)CCCCC1 ZINC000933264733 642434715 /nfs/dbraw/zinc/43/47/15/642434715.db2.gz BVOGJHJZNQHFPK-UHFFFAOYSA-N 1 0 237.343 2.255 20 30 BEEDRO Cc1cc(F)c(C#N)c(NCCC[NH+](C)C)c1 ZINC000891416766 642497943 /nfs/dbraw/zinc/49/79/43/642497943.db2.gz ODCKBONRYARFAT-UHFFFAOYSA-N 1 0 235.306 2.369 20 30 BEEDRO C=C(Br)C[NH2+][C@]1(CCC)CCOC1 ZINC000308213100 642505006 /nfs/dbraw/zinc/50/50/06/642505006.db2.gz HKSFFVXTDWQOML-SNVBAGLBSA-N 1 0 248.164 2.444 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CC[C@H](C)O2)CCC1 ZINC000933296697 642505093 /nfs/dbraw/zinc/50/50/93/642505093.db2.gz LCPVEBOGCSNHIR-RYUDHWBXSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCC1([NH2+][C@H](C)c2cnccn2)CCC1 ZINC000933297011 642507745 /nfs/dbraw/zinc/50/77/45/642507745.db2.gz VLILRYVXOWLBNF-LLVKDONJSA-N 1 0 215.300 2.073 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)Cc2ccccc2)CCC1 ZINC000933297178 642509686 /nfs/dbraw/zinc/50/96/86/642509686.db2.gz YTXBJSIFVZEVDC-HNNXBMFYSA-N 1 0 243.350 2.126 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC000930130741 642519161 /nfs/dbraw/zinc/51/91/61/642519161.db2.gz UOEWTLGWNQEYGO-PIMMBPRGSA-N 1 0 248.370 2.427 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000305068972 642635200 /nfs/dbraw/zinc/63/52/00/642635200.db2.gz KIASGSTXPNKRQX-LALPHHSUSA-N 1 0 244.338 2.464 20 30 BEEDRO CCCCCCC[NH2+]C[C@H](O)C(F)(F)F ZINC000232957519 642636947 /nfs/dbraw/zinc/63/69/47/642636947.db2.gz XRLWPDNWXMRBRC-VIFPVBQESA-N 1 0 227.270 2.470 20 30 BEEDRO C=CCNC(=[NH2+])NCC1C2CC3CC(C2)CC1C3 ZINC000305713707 642675852 /nfs/dbraw/zinc/67/58/52/642675852.db2.gz ZCJFPPYLVMDBRV-UHFFFAOYSA-N 1 0 247.386 2.149 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])N(C)C2CC2)c(C)c1 ZINC000305809978 642702581 /nfs/dbraw/zinc/70/25/81/642702581.db2.gz IOQYXXAMWIDICE-UHFFFAOYSA-N 1 0 245.370 2.255 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)Cc1ccccc1F ZINC000305950980 642714163 /nfs/dbraw/zinc/71/41/63/642714163.db2.gz ABEXEVGCTHDKAX-LLVKDONJSA-N 1 0 236.290 2.186 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)C(C)C)C1 ZINC000965097369 642768735 /nfs/dbraw/zinc/76/87/35/642768735.db2.gz FMHARUIHZBZJLX-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO CN(C)C(=[NH2+])NC[C@@]1(C)CCCc2ccccc21 ZINC000180516049 642801443 /nfs/dbraw/zinc/80/14/43/642801443.db2.gz WVUIQPDGWATPLY-OAHLLOKOSA-N 1 0 245.370 2.157 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2=CCCCCC2)C1 ZINC000968494271 642812539 /nfs/dbraw/zinc/81/25/39/642812539.db2.gz AXHJRMXNLHUOJW-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)(C)C)C1 ZINC000968574063 642814795 /nfs/dbraw/zinc/81/47/95/642814795.db2.gz BVVBMHKEQSMYTL-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2)C1 ZINC001006611448 642822632 /nfs/dbraw/zinc/82/26/32/642822632.db2.gz WXKPSOKSTKBYCB-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C(C)(C)C)C1 ZINC000969094659 642822989 /nfs/dbraw/zinc/82/29/89/642822989.db2.gz HRZHBZHNEGPREZ-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2ccoc2)C1 ZINC001006746687 642825380 /nfs/dbraw/zinc/82/53/80/642825380.db2.gz UNFSVDRLYXNWOC-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC001007081546 642827120 /nfs/dbraw/zinc/82/71/20/642827120.db2.gz FTWMXARHMPUBGN-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(OC)ccc1O ZINC000181045917 642835269 /nfs/dbraw/zinc/83/52/69/642835269.db2.gz KJEISSKBIQYKHJ-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001010076182 642849252 /nfs/dbraw/zinc/84/92/52/642849252.db2.gz FSLLXABUTBNJFD-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001010092225 642852621 /nfs/dbraw/zinc/85/26/21/642852621.db2.gz DLHRGPFEVAFZLX-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO CSc1ccc(CNC(=[NH2+])N(C)C2CC2)cc1 ZINC000181468714 642875979 /nfs/dbraw/zinc/87/59/79/642875979.db2.gz WRNDAQSTQXDJDL-UHFFFAOYSA-N 1 0 249.383 2.317 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001014902492 642894821 /nfs/dbraw/zinc/89/48/21/642894821.db2.gz PZSRXYLVKWMYKE-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2C=CCCC2)C1 ZINC001014902490 642896123 /nfs/dbraw/zinc/89/61/23/642896123.db2.gz PZSRXYLVKWMYKE-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C=C(C)C ZINC001017328635 642974164 /nfs/dbraw/zinc/97/41/64/642974164.db2.gz WRIMHRXDLDANOS-OKILXGFUSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C ZINC001017462824 642977832 /nfs/dbraw/zinc/97/78/32/642977832.db2.gz VVYBJGCHIZCSGR-ZTTPKUNYSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001018476758 642995012 /nfs/dbraw/zinc/99/50/12/642995012.db2.gz ADZHNGKJEHDNSV-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000932308762 643076315 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643240810 /nfs/dbraw/zinc/24/08/10/643240810.db2.gz HQTCUMFZGXMZQL-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(C)C)CC1(C)C ZINC000995350156 643241671 /nfs/dbraw/zinc/24/16/71/643241671.db2.gz HQTCUMFZGXMZQL-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@H](C)NC(=O)CCC[NH+](CCC)CCC ZINC000185374093 643300750 /nfs/dbraw/zinc/30/07/50/643300750.db2.gz KGBOXJMXRCOACS-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000185537515 643330929 /nfs/dbraw/zinc/33/09/29/643330929.db2.gz PSOXXDMXJUKISU-ZIAGYGMSSA-N 1 0 243.391 2.476 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@H](OCC)C12CCCC2 ZINC000082945739 643390957 /nfs/dbraw/zinc/39/09/57/643390957.db2.gz NZBUTLLKJWCTGM-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C=C(C)C ZINC001032263166 643414191 /nfs/dbraw/zinc/41/41/91/643414191.db2.gz NPJHHLCHURDHHY-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@H](C)CO ZINC000196206521 643460301 /nfs/dbraw/zinc/46/03/01/643460301.db2.gz IAMUCCFUWJZXPP-GFCCVEGCSA-N 1 0 205.301 2.055 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC000996149049 643460774 /nfs/dbraw/zinc/46/07/74/643460774.db2.gz GSJIVHQVNDLZHI-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)C(N=NC(N)=[NH2+])C1CCCCC1 ZINC000733901487 643478286 /nfs/dbraw/zinc/47/82/86/643478286.db2.gz ADOSDPYYHRDEHE-UHFFFAOYSA-N 1 0 210.325 2.062 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CCC([NH2+]CC)CC1 ZINC000996962911 643568608 /nfs/dbraw/zinc/56/86/08/643568608.db2.gz ZSQFVVRAXDHCAU-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@H](O)c2ccco2)cs1 ZINC000921517101 643580866 /nfs/dbraw/zinc/58/08/66/643580866.db2.gz YIQGUIHKCZBOJA-NSHDSACASA-N 1 0 248.307 2.036 20 30 BEEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@@H]1CCCO1 ZINC000921527481 643587717 /nfs/dbraw/zinc/58/77/17/643587717.db2.gz NTYKAGVWBBWGSU-SKDRFNHKSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CCC[C@@H](O)C2)cs1 ZINC000921585869 643615926 /nfs/dbraw/zinc/61/59/26/643615926.db2.gz HMEZZXDKOVAKEX-WDEREUQCSA-N 1 0 236.340 2.013 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](N(CC)C(C)=O)CC1 ZINC000997893971 643668159 /nfs/dbraw/zinc/66/81/59/643668159.db2.gz WUYWWMIIMXEATF-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(C)C[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000307769604 643684541 /nfs/dbraw/zinc/68/45/41/643684541.db2.gz DXLHVEQFPZAKBY-QWHCGFSZSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000998417792 643705962 /nfs/dbraw/zinc/70/59/62/643705962.db2.gz ADBMOFWJOQHYNU-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000998493505 643711036 /nfs/dbraw/zinc/71/10/36/643711036.db2.gz DXJKHHPQBYWPDQ-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000998579133 643712289 /nfs/dbraw/zinc/71/22/89/643712289.db2.gz KCWMMUJAYNUXLI-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CCc1[nH]nc(Cl)c1C[NH2+]CCCCC#N ZINC000921684075 643736990 /nfs/dbraw/zinc/73/69/90/643736990.db2.gz RLHLHRAHEYXXRW-UHFFFAOYSA-N 1 0 240.738 2.409 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](C)N(C)C ZINC000921686828 643739003 /nfs/dbraw/zinc/73/90/03/643739003.db2.gz PIMJZGRUIGBZHS-ZDUSSCGKSA-N 1 0 245.370 2.215 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]CCC)C1 ZINC000999893255 643741571 /nfs/dbraw/zinc/74/15/71/643741571.db2.gz HUNDPIZMBVEZOS-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](CNCc1csc(C#N)c1)[N@H+](C)C1CC1 ZINC000921694741 643753691 /nfs/dbraw/zinc/75/36/91/643753691.db2.gz XLQJFMQPWVEVKC-SNVBAGLBSA-N 1 0 249.383 2.192 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1(O)CCC1 ZINC000921721504 643763548 /nfs/dbraw/zinc/76/35/48/643763548.db2.gz DRVSOIHPBFMKEW-UHFFFAOYSA-N 1 0 244.338 2.180 20 30 BEEDRO C=CC[N@H+]1CC=C(CNC(=O)C2CCCC2)CC1 ZINC001000358115 643775475 /nfs/dbraw/zinc/77/54/75/643775475.db2.gz FYNHUXNAWUEZID-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCSC2)cs1 ZINC000921792926 643789005 /nfs/dbraw/zinc/78/90/05/643789005.db2.gz FAUHRDLEBQXKMJ-SECBINFHSA-N 1 0 224.354 2.215 20 30 BEEDRO C[C@H]1CCC[N@@H+]1CCNCc1csc(C#N)c1 ZINC000921795863 643791181 /nfs/dbraw/zinc/79/11/81/643791181.db2.gz CQCNQBLDOPKYHK-NSHDSACASA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC[N@H+]1CC=C(CNC(=O)C2=CCCC2)CC1 ZINC001000577613 643793321 /nfs/dbraw/zinc/79/33/21/643793321.db2.gz WETOOUWUMNRQNQ-UHFFFAOYSA-N 1 0 246.354 2.031 20 30 BEEDRO N#Cc1cc(C[NH2+]CCOC2CCC2)cs1 ZINC000921798997 643795980 /nfs/dbraw/zinc/79/59/80/643795980.db2.gz YFQNYRPNVKLLBV-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnc(C)c(C)c1 ZINC000921869247 643812728 /nfs/dbraw/zinc/81/27/28/643812728.db2.gz ACGURSRJLHOZOQ-UHFFFAOYSA-N 1 0 247.342 2.145 20 30 BEEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cn[nH]c1 ZINC000921935585 643829404 /nfs/dbraw/zinc/82/94/04/643829404.db2.gz KZCGGWBAQCKBFP-QMMMGPOBSA-N 1 0 232.312 2.194 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921994590 643838697 /nfs/dbraw/zinc/83/86/97/643838697.db2.gz WOJAPQDGFZAECI-AWEZNQCLSA-N 1 0 244.338 2.202 20 30 BEEDRO COC1CC([NH2+]Cc2c(C)cc(C#N)cc2C)C1 ZINC000921994085 643838990 /nfs/dbraw/zinc/83/89/90/643838990.db2.gz JZGLVSDLVKJGHB-UHFFFAOYSA-N 1 0 244.338 2.442 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@H]2CCCC[C@@H]12 ZINC000929259551 643843034 /nfs/dbraw/zinc/84/30/34/643843034.db2.gz GOXMNRVGFVYYHR-MQYQWHSLSA-N 1 0 236.359 2.162 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922010240 643844620 /nfs/dbraw/zinc/84/46/20/643844620.db2.gz YHHSXKGABCGDFO-VUDBWIFFSA-N 1 0 236.340 2.036 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922091251 643860256 /nfs/dbraw/zinc/86/02/56/643860256.db2.gz DHLCIDQCEAYIPN-LLVKDONJSA-N 1 0 233.359 2.353 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922092527 643862139 /nfs/dbraw/zinc/86/21/39/643862139.db2.gz WKWHCFZLVHXWFU-NSHDSACASA-N 1 0 206.289 2.232 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccsc1 ZINC000929263922 643864516 /nfs/dbraw/zinc/86/45/16/643864516.db2.gz QZAMTYUPQLYTSA-VXGBXAGGSA-N 1 0 236.340 2.160 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccsc1 ZINC000929263911 643864850 /nfs/dbraw/zinc/86/48/50/643864850.db2.gz QZAMTYUPQLYTSA-NEPJUHHUSA-N 1 0 236.340 2.160 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]Cc1csc(C#N)c1 ZINC000922152035 643873050 /nfs/dbraw/zinc/87/30/50/643873050.db2.gz GEEIFTPUJIKFSS-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]Cc1csc(C#N)c1 ZINC000922154495 643874936 /nfs/dbraw/zinc/87/49/36/643874936.db2.gz VUGFOJMNUYXTMG-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnn(CCF)c1 ZINC000922157097 643876761 /nfs/dbraw/zinc/87/67/61/643876761.db2.gz ANZBVACESKCUKZ-UHFFFAOYSA-N 1 0 225.311 2.154 20 30 BEEDRO C[C@H](CCCCO)[NH2+]Cc1csc(C#N)c1 ZINC000922156431 643877077 /nfs/dbraw/zinc/87/70/77/643877077.db2.gz LFOGOVLIBZKWDF-SNVBAGLBSA-N 1 0 238.356 2.260 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C12CCC2 ZINC000424320212 643885062 /nfs/dbraw/zinc/88/50/62/643885062.db2.gz FUMXKDYUTQYMHY-RNJOBUHISA-N 1 0 234.343 2.226 20 30 BEEDRO CCC1(C[NH2+]Cc2csc(C#N)c2)COC1 ZINC000922161706 643885476 /nfs/dbraw/zinc/88/54/76/643885476.db2.gz FLBACBQRDNTQEZ-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000922190030 643898343 /nfs/dbraw/zinc/89/83/43/643898343.db2.gz GUJIMZFIRZLVBT-OTVXOJSOSA-N 1 0 244.338 2.178 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000922197067 643899093 /nfs/dbraw/zinc/89/90/93/643899093.db2.gz QQSLGCLNMZXDGQ-AAEUAGOBSA-N 1 0 248.351 2.300 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC000922215680 643906894 /nfs/dbraw/zinc/90/68/94/643906894.db2.gz DUOMNMBSELERIQ-YNEHKIRRSA-N 1 0 241.400 2.025 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC000922238350 643914791 /nfs/dbraw/zinc/91/47/91/643914791.db2.gz CGUZJSMJTZLIIO-UHFFFAOYSA-N 1 0 237.274 2.278 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2COC3(CCC3)C2)cs1 ZINC000922245220 643918124 /nfs/dbraw/zinc/91/81/24/643918124.db2.gz VTQPITZWTAZYML-LLVKDONJSA-N 1 0 248.351 2.421 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C1CC(CO)C1 ZINC000922270224 643937911 /nfs/dbraw/zinc/93/79/11/643937911.db2.gz UVOXEDNLAUTIAM-UHFFFAOYSA-N 1 0 244.338 2.036 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1csc(C#N)c1 ZINC000922299874 643959950 /nfs/dbraw/zinc/95/99/50/643959950.db2.gz SYGWKKYDLZCRNY-LBPRGKRZSA-N 1 0 248.351 2.138 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cs1 ZINC000922297876 643960347 /nfs/dbraw/zinc/96/03/47/643960347.db2.gz ZELHPIRPTMBXNY-WCQYABFASA-N 1 0 248.351 2.277 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(OC)OC)C1 ZINC000922314227 643967326 /nfs/dbraw/zinc/96/73/26/643967326.db2.gz WUNUSOKMHCSBDW-TUAOUCFPSA-N 1 0 227.348 2.328 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922335922 643973812 /nfs/dbraw/zinc/97/38/12/643973812.db2.gz RHYBJBRFJLIMKN-ZDUSSCGKSA-N 1 0 249.358 2.025 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc2c1OCC2 ZINC000922334478 643974677 /nfs/dbraw/zinc/97/46/77/643974677.db2.gz BFYBIHDQBMBBBH-AWEZNQCLSA-N 1 0 247.338 2.038 20 30 BEEDRO CCC[C@H](O)CC[NH2+]Cc1csc(C#N)c1 ZINC000922819551 644108998 /nfs/dbraw/zinc/10/89/98/644108998.db2.gz YLYOPCJCJXENMU-NSHDSACASA-N 1 0 238.356 2.260 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186706767 644138765 /nfs/dbraw/zinc/13/87/65/644138765.db2.gz WXLKQLZFQDMYMI-NWDGAFQWSA-N 1 0 235.327 2.288 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@]23C[C@H]2CCC3)nn1 ZINC000922963763 644203660 /nfs/dbraw/zinc/20/36/60/644203660.db2.gz XEGKBSUBIDOWOL-OCCSQVGLSA-N 1 0 246.358 2.134 20 30 BEEDRO C#CCC1([NH2+]Cc2cnccc2C)CCC1 ZINC000922996928 644221363 /nfs/dbraw/zinc/22/13/63/644221363.db2.gz BGEKDBOBRUPCIV-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CCC1([NH2+]Cc2scnc2C)CCC1 ZINC000922996914 644221505 /nfs/dbraw/zinc/22/15/05/644221505.db2.gz AUZOZCLCFYBDHW-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCSC2)CCC1 ZINC000922998016 644221542 /nfs/dbraw/zinc/22/15/42/644221542.db2.gz PEWHNDBVPQNFTO-NSHDSACASA-N 1 0 209.358 2.275 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCC(C)(C)O2)CCC1 ZINC000922998638 644223711 /nfs/dbraw/zinc/22/37/11/644223711.db2.gz KSXXNKDDFASKCC-LBPRGKRZSA-N 1 0 221.344 2.480 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCC(C)(C)O2)CCC1 ZINC000922998637 644224058 /nfs/dbraw/zinc/22/40/58/644224058.db2.gz KSXXNKDDFASKCC-GFCCVEGCSA-N 1 0 221.344 2.480 20 30 BEEDRO CSC1(CNC(=[NH2+])N2CCCCCC2)CC1 ZINC000193301274 644232276 /nfs/dbraw/zinc/23/22/76/644232276.db2.gz MIQWGSLGNKJVBQ-UHFFFAOYSA-N 1 0 241.404 2.073 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000081713481 644339701 /nfs/dbraw/zinc/33/97/01/644339701.db2.gz KXKORHPCXKEGRE-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO CCCCC(N)=NOCc1nc(C)c(C)o1 ZINC000195478159 644393258 /nfs/dbraw/zinc/39/32/58/644393258.db2.gz DFZCHXYUUKMKCB-UHFFFAOYSA-N 1 0 225.292 2.270 20 30 BEEDRO CC(C)CCO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000085260968 644437352 /nfs/dbraw/zinc/43/73/52/644437352.db2.gz LLPVTTMXSPYURK-UHFFFAOYSA-N 1 0 249.358 2.436 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824068 644504934 /nfs/dbraw/zinc/50/49/34/644504934.db2.gz FYFNOOKJHQCKJG-NSHDSACASA-N 1 0 248.326 2.081 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC=CCC2)cc1 ZINC000088748760 644528436 /nfs/dbraw/zinc/52/84/36/644528436.db2.gz YDLXOCFYYPXAGZ-HUUCEWRRSA-N 1 0 242.322 2.290 20 30 BEEDRO N#Cc1cc(F)ccc1N[C@H]1CCC[C@H]1C[NH3+] ZINC000089092093 644533864 /nfs/dbraw/zinc/53/38/64/644533864.db2.gz GDCKXKBDLKQVPF-CABZTGNLSA-N 1 0 233.290 2.237 20 30 BEEDRO C#CCC[C@H](C)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000839043304 644554241 /nfs/dbraw/zinc/55/42/41/644554241.db2.gz QCJNTTMLYHAAKC-STQMWFEESA-N 1 0 239.359 2.452 20 30 BEEDRO C#CCC[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000752853850 644603290 /nfs/dbraw/zinc/60/32/90/644603290.db2.gz CWYCEBMKKXJRPA-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCC[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000752853849 644603445 /nfs/dbraw/zinc/60/34/45/644603445.db2.gz CWYCEBMKKXJRPA-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc2ccccc2c1 ZINC000300868465 644705949 /nfs/dbraw/zinc/70/59/49/644705949.db2.gz HHTAQUCRLLXNSO-NSHDSACASA-N 1 0 210.280 2.346 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000094342806 644716432 /nfs/dbraw/zinc/71/64/32/644716432.db2.gz OXHOCDPHYKYVDL-RNCFNFMXSA-N 1 0 249.745 2.385 20 30 BEEDRO CC(=CN=NC1=[NH+]C[C@@H](C)N1)Cc1ccccc1 ZINC000779805725 644718559 /nfs/dbraw/zinc/71/85/59/644718559.db2.gz RCKMIPPZANTFOF-BLKFPDAISA-N 1 0 242.326 2.013 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000250843428 644782315 /nfs/dbraw/zinc/78/23/15/644782315.db2.gz YZVOOGFMSHIRGN-OLZOCXBDSA-N 1 0 229.364 2.038 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000411207666 644803153 /nfs/dbraw/zinc/80/31/53/644803153.db2.gz IXFSEAQXJAWZIA-NSHDSACASA-N 1 0 232.331 2.281 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCCOC1CCCC1 ZINC000303261724 644813521 /nfs/dbraw/zinc/81/35/21/644813521.db2.gz OWBYSXQFQDQXDM-NSHDSACASA-N 1 0 241.379 2.039 20 30 BEEDRO CNC(NCC1(c2ccc(F)cc2)CCC1)=[NH+]C ZINC000303268165 644815608 /nfs/dbraw/zinc/81/56/08/644815608.db2.gz YJCPICCKDWLIBV-UHFFFAOYSA-N 1 0 249.333 2.042 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccccc1F ZINC000303624408 644833821 /nfs/dbraw/zinc/83/38/21/644833821.db2.gz UMCJSKKBGDLHNN-WCQYABFASA-N 1 0 247.317 2.009 20 30 BEEDRO CCCCNC(NCc1ccc(C)cc1)=[NH+]C ZINC000303700142 644838137 /nfs/dbraw/zinc/83/81/37/644838137.db2.gz HKGMLHFMHKUTQH-UHFFFAOYSA-N 1 0 233.359 2.460 20 30 BEEDRO CCCCCCNC(=[NH2+])N1CCCCC1 ZINC000303710627 644841099 /nfs/dbraw/zinc/84/10/99/644841099.db2.gz OVZFVSGJTQMYQI-UHFFFAOYSA-N 1 0 211.353 2.367 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000801925558 644844209 /nfs/dbraw/zinc/84/42/09/644844209.db2.gz FFUUPCOUIPTESL-OCCSQVGLSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000801925556 644845242 /nfs/dbraw/zinc/84/52/42/644845242.db2.gz FFUUPCOUIPTESL-GXTWGEPZSA-N 1 0 245.326 2.147 20 30 BEEDRO Cc1ccccc1CCNC(=[NH2+])N1CCCCC1 ZINC000303783998 644846293 /nfs/dbraw/zinc/84/62/93/644846293.db2.gz OUFIILJJWNQNFP-UHFFFAOYSA-N 1 0 245.370 2.338 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000801926409 644846843 /nfs/dbraw/zinc/84/68/43/644846843.db2.gz PZBKXGIRFCEVND-DZGCQCFKSA-N 1 0 244.338 2.232 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@@H]1Cc2ccccc21 ZINC000303895168 644855906 /nfs/dbraw/zinc/85/59/06/644855906.db2.gz TUHUQSJQHUUYNR-ZDUSSCGKSA-N 1 0 243.354 2.031 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCC1CCCC1 ZINC000303902853 644856058 /nfs/dbraw/zinc/85/60/58/644856058.db2.gz UFXZIOLUMBPXRE-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO Cc1cc(NCC(C)(C)CCC#N)nc(N)[nH+]1 ZINC000808093145 644872939 /nfs/dbraw/zinc/87/29/39/644872939.db2.gz INLYUZAYKFYESZ-UHFFFAOYSA-N 1 0 233.319 2.109 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCc2sccc2C1 ZINC000304214332 644876628 /nfs/dbraw/zinc/87/66/28/644876628.db2.gz FYIQYERAYDHVMH-JTQLQIEISA-N 1 0 236.340 2.035 20 30 BEEDRO CC(C)CC[N@H+](CCO[C@@H](C)C#N)C1CC1 ZINC000304239373 644881215 /nfs/dbraw/zinc/88/12/15/644881215.db2.gz NJDQGJNLVMHFDC-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)CC#N ZINC000809572473 644890902 /nfs/dbraw/zinc/89/09/02/644890902.db2.gz NWRRBUORLJQILR-VHSXEESVSA-N 1 0 224.329 2.015 20 30 BEEDRO Cc1ccccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000809572252 644892197 /nfs/dbraw/zinc/89/21/97/644892197.db2.gz JRJNFMIDTFEKRT-HIFRSBDPSA-N 1 0 244.338 2.407 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)CC(C)C)cc1 ZINC000809612247 644893488 /nfs/dbraw/zinc/89/34/88/644893488.db2.gz YNDFSDKDYJQPKY-OAHLLOKOSA-N 1 0 231.339 2.165 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@H+](CCO[C@H](C)C#N)C1 ZINC000304376851 644898614 /nfs/dbraw/zinc/89/86/14/644898614.db2.gz PTNONMJCGUCKGY-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO CCOCCCNC(=[NH2+])NCCCC(C)(C)C ZINC000304572059 644917381 /nfs/dbraw/zinc/91/73/81/644917381.db2.gz MSYVFZFMYRYLHS-UHFFFAOYSA-N 1 0 243.395 2.144 20 30 BEEDRO CN(C)C(=[NH+]CCCC(C)(C)C)N(C)C ZINC000304749029 644928898 /nfs/dbraw/zinc/92/88/98/644928898.db2.gz HJMLGLVBTQYPFB-UHFFFAOYSA-N 1 0 213.369 2.292 20 30 BEEDRO CCCCNC(=[NH2+])NCCc1ccc(CC)cc1 ZINC000304751990 644929193 /nfs/dbraw/zinc/92/91/93/644929193.db2.gz JUAUPJHVAFBYOJ-UHFFFAOYSA-N 1 0 247.386 2.496 20 30 BEEDRO CC(C)NC(=[NH2+])NCC1(c2cccc(F)c2)CC1 ZINC000304741047 644929700 /nfs/dbraw/zinc/92/97/00/644929700.db2.gz BZTSRNYNLKRBOQ-UHFFFAOYSA-N 1 0 249.333 2.170 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCCCC2CC2)C1 ZINC000304747583 644929911 /nfs/dbraw/zinc/92/99/11/644929911.db2.gz GNHMLBYYZUCBMU-NSHDSACASA-N 1 0 223.364 2.223 20 30 BEEDRO Cc1cccc(O[C@H](C)CNC(=[NH2+])NC(C)C)c1 ZINC000304796313 644932236 /nfs/dbraw/zinc/93/22/36/644932236.db2.gz MSKLHJQBCJPLDY-GFCCVEGCSA-N 1 0 249.358 2.075 20 30 BEEDRO CC1(CNC(=[NH2+])N2CCCCC2)CCCC1 ZINC000304765189 644932495 /nfs/dbraw/zinc/93/24/95/644932495.db2.gz YYGWTTVCXXYSOW-UHFFFAOYSA-N 1 0 223.364 2.367 20 30 BEEDRO CCCC[C@H](CCC)CNC(=[NH2+])NCCOC ZINC000304832530 644934846 /nfs/dbraw/zinc/93/48/46/644934846.db2.gz LGFQVPPFIREOQA-LBPRGKRZSA-N 1 0 243.395 2.144 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253087774 644936637 /nfs/dbraw/zinc/93/66/37/644936637.db2.gz DOJMKFPVZVBZNB-UTUOFQBUSA-N 1 0 229.751 2.364 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253095687 644936706 /nfs/dbraw/zinc/93/67/06/644936706.db2.gz PLPWSPQXUOYGNM-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO CCCCNC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304857781 644936741 /nfs/dbraw/zinc/93/67/41/644936741.db2.gz ZYFYVTLNFIPMNF-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO CCOC(=O)CC(C)(C)C[NH2+][C@@H](CC)CC#N ZINC000813337469 644939402 /nfs/dbraw/zinc/93/94/02/644939402.db2.gz PHYVXTATUFGXAL-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C)cc1OC ZINC000304977005 644944205 /nfs/dbraw/zinc/94/42/05/644944205.db2.gz BFTQFODVTBLCPD-LLVKDONJSA-N 1 0 249.358 2.206 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000815078630 644950455 /nfs/dbraw/zinc/95/04/55/644950455.db2.gz DOPDDINVEJCHHI-SECBINFHSA-N 1 0 223.238 2.073 20 30 BEEDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000815064228 644950924 /nfs/dbraw/zinc/95/09/24/644950924.db2.gz YRLQGUJDBPACFY-CQSZACIVSA-N 1 0 247.342 2.092 20 30 BEEDRO Cc1ccc(NNC=CC(F)(F)F)[nH+]n1 ZINC000817326128 644971974 /nfs/dbraw/zinc/97/19/74/644971974.db2.gz JZSNQEGGBIPTOT-UHFFFAOYSA-N 1 0 218.182 2.135 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000829778890 645111040 /nfs/dbraw/zinc/11/10/40/645111040.db2.gz JTRXSOJINDVPRE-ZDUSSCGKSA-N 1 0 214.312 2.317 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCc2nc(C)no2)C1 ZINC000829804219 645111334 /nfs/dbraw/zinc/11/13/34/645111334.db2.gz FJYHWPKSCGKTLL-CYBMUJFWSA-N 1 0 247.342 2.046 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000830345551 645120693 /nfs/dbraw/zinc/12/06/93/645120693.db2.gz IAKLEKBKDXNZMN-HNNXBMFYSA-N 1 0 235.371 2.273 20 30 BEEDRO CC(C)ON=C1CCCc2nc(N)ccc21 ZINC000835002944 645157746 /nfs/dbraw/zinc/15/77/46/645157746.db2.gz UDCLYFZDFOVZSS-UHFFFAOYSA-N 1 0 219.288 2.129 20 30 BEEDRO C[C@]1(C=[NH+]n2cnnc2)C[C@@H]1c1ccccc1 ZINC000841603268 645219749 /nfs/dbraw/zinc/21/97/49/645219749.db2.gz GXFGCXPEMYDGKQ-CHWSQXEVSA-N 1 0 226.283 2.306 20 30 BEEDRO CCCCCCCCNC(=O)N(C)CC[NH2+]C ZINC000841865025 645236013 /nfs/dbraw/zinc/23/60/13/645236013.db2.gz YTUSRLBXPMOMDO-UHFFFAOYSA-N 1 0 243.395 2.208 20 30 BEEDRO CCC[C@H]([NH2+]CCC#N)[C@@H](O)c1ccccc1 ZINC000843090290 645263982 /nfs/dbraw/zinc/26/39/82/645263982.db2.gz WHTLWKATFSDZNF-KBPBESRZSA-N 1 0 232.327 2.392 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926546602 645268962 /nfs/dbraw/zinc/26/89/62/645268962.db2.gz UUSQMVKBSSAWQU-REWJHTLYSA-N 1 0 221.344 2.258 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926549173 645271794 /nfs/dbraw/zinc/27/17/94/645271794.db2.gz FNCMAFBFVWKVKG-LLVKDONJSA-N 1 0 222.336 2.476 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)c1 ZINC000926551420 645274526 /nfs/dbraw/zinc/27/45/26/645274526.db2.gz SUIYRAYDECURBJ-STQMWFEESA-N 1 0 243.350 2.429 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+]CC(C)(C)CC#N)C2)CO1 ZINC000926568290 645287451 /nfs/dbraw/zinc/28/74/51/645287451.db2.gz LGXMCUGUEHFTHN-LKSINWNRSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1ccn(C)n1 ZINC000926574819 645292095 /nfs/dbraw/zinc/29/20/95/645292095.db2.gz COSCVMCOKSVDIQ-WDEREUQCSA-N 1 0 234.347 2.399 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926610296 645311867 /nfs/dbraw/zinc/31/18/67/645311867.db2.gz CCGGDWQPSOZKPQ-DRZSPHRISA-N 1 0 248.326 2.029 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CCC1 ZINC000926624104 645320805 /nfs/dbraw/zinc/32/08/05/645320805.db2.gz HOZAFIYFXVDGJK-ZIAGYGMSSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CCC1 ZINC000926624099 645321317 /nfs/dbraw/zinc/32/13/17/645321317.db2.gz HOZAFIYFXVDGJK-KBPBESRZSA-N 1 0 248.370 2.475 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844441845 645332768 /nfs/dbraw/zinc/33/27/68/645332768.db2.gz USSQPMPGCDPZBZ-QWRGUYRKSA-N 1 0 231.286 2.045 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1(CO)CCC1 ZINC000926660732 645342533 /nfs/dbraw/zinc/34/25/33/645342533.db2.gz YYAIGEQVVUKAPO-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCCc1noc([C@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844921099 645347925 /nfs/dbraw/zinc/34/79/25/645347925.db2.gz XYCNJEOXBFSJOV-WDEREUQCSA-N 1 0 233.315 2.391 20 30 BEEDRO C=CCCc1noc([C@@H]2CC[C@@H](C3CC3)[NH2+]2)n1 ZINC000844921098 645348709 /nfs/dbraw/zinc/34/87/09/645348709.db2.gz XYCNJEOXBFSJOV-QWRGUYRKSA-N 1 0 233.315 2.391 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC(=O)N(C)OCC ZINC000846065004 645396514 /nfs/dbraw/zinc/39/65/14/645396514.db2.gz PNTOWRTZYCBRHW-LBPRGKRZSA-N 1 0 242.363 2.121 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000847027071 645420529 /nfs/dbraw/zinc/42/05/29/645420529.db2.gz RQYQZABIZVLTNU-CYBMUJFWSA-N 1 0 221.344 2.027 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cnn(C)n1 ZINC000926823552 645443287 /nfs/dbraw/zinc/44/32/87/645443287.db2.gz SSBUFCBPUQGAOR-LLVKDONJSA-N 1 0 236.363 2.458 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cnnn1C ZINC000926821320 645443458 /nfs/dbraw/zinc/44/34/58/645443458.db2.gz IFHOZSJENKGHPU-LLVKDONJSA-N 1 0 236.363 2.458 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000849328952 645448739 /nfs/dbraw/zinc/44/87/39/645448739.db2.gz SZYIGXYGHFNFLE-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)[C@H]2C)CC1 ZINC000926840913 645451907 /nfs/dbraw/zinc/45/19/07/645451907.db2.gz VLUNHKUVXBPOHM-DHGKCCLASA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2[C@H](C)COC[C@H]2C)CC1 ZINC000926841069 645453022 /nfs/dbraw/zinc/45/30/22/645453022.db2.gz VVEJREVCJCDDLS-AAVRWANBSA-N 1 0 235.371 2.439 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000926861851 645461451 /nfs/dbraw/zinc/46/14/51/645461451.db2.gz CQCPKIGEYABFKX-MGPQQGTHSA-N 1 0 243.391 2.233 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000926874803 645467711 /nfs/dbraw/zinc/46/77/11/645467711.db2.gz UJTWENHFTXFOMS-TUAOUCFPSA-N 1 0 202.301 2.234 20 30 BEEDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000926874769 645469149 /nfs/dbraw/zinc/46/91/49/645469149.db2.gz SMQWZXKJUSRMBZ-RYUDHWBXSA-N 1 0 224.348 2.187 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000926875153 645469493 /nfs/dbraw/zinc/46/94/93/645469493.db2.gz WBTJLTGELDXXGA-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cc(C)n(C)n1 ZINC000926916699 645487579 /nfs/dbraw/zinc/48/75/79/645487579.db2.gz ZALRMTLQKDLZJM-YPMHNXCESA-N 1 0 235.375 2.461 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2OCC3)C1 ZINC000926916834 645487755 /nfs/dbraw/zinc/48/77/55/645487755.db2.gz TWNHYGYLYCGRBT-IGQOVBAYSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000926925049 645490194 /nfs/dbraw/zinc/49/01/94/645490194.db2.gz FIMOKYHWGKNPTE-LBPRGKRZSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926946431 645492863 /nfs/dbraw/zinc/49/28/63/645492863.db2.gz NWUXZIYYFCXDDC-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926946425 645493221 /nfs/dbraw/zinc/49/32/21/645493221.db2.gz NWUXZIYYFCXDDC-MQYQWHSLSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCOC1CCOCC1 ZINC000927080072 645537345 /nfs/dbraw/zinc/53/73/45/645537345.db2.gz ZHOYCMZVGNGQIU-STQMWFEESA-N 1 0 241.375 2.372 20 30 BEEDRO Cc1ccc(NCC[NH2+][C@H]2CC[C@@H](C#N)C2)nc1 ZINC000927072210 645538479 /nfs/dbraw/zinc/53/84/79/645538479.db2.gz ZGPIIOLVQKBTCZ-OLZOCXBDSA-N 1 0 244.342 2.084 20 30 BEEDRO C=CCC[C@H]([NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000927086149 645542593 /nfs/dbraw/zinc/54/25/93/645542593.db2.gz VCILDZMRAINTOJ-KGLIPLIRSA-N 1 0 239.359 2.126 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927164747 645580427 /nfs/dbraw/zinc/58/04/27/645580427.db2.gz MIJWBVYIAAEOKW-DGCLKSJQSA-N 1 0 244.342 2.143 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)C1CCSCC1 ZINC000187350884 645594008 /nfs/dbraw/zinc/59/40/08/645594008.db2.gz AIUAVUJTFHLZSB-NSHDSACASA-N 1 0 243.441 2.474 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000862447506 645696242 /nfs/dbraw/zinc/69/62/42/645696242.db2.gz NGUHRMXGVVDNAU-NWDGAFQWSA-N 1 0 209.358 2.085 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000862447217 645696709 /nfs/dbraw/zinc/69/67/09/645696709.db2.gz JNJQXBNARCTQPV-GFCCVEGCSA-N 1 0 218.300 2.137 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CC(C)(C)F ZINC000865653484 645720089 /nfs/dbraw/zinc/72/00/89/645720089.db2.gz VIJBSOZCAVLDIO-UHFFFAOYSA-N 1 0 249.333 2.462 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H](OC)C1CCCC1 ZINC000877049647 645789102 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VQSJUOAJQUZZML-CQSZACIVSA-N 1 0 232.327 2.381 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H](NC(=O)CC)C1 ZINC001034060274 712037706 /nfs/dbraw/zinc/03/77/06/712037706.db2.gz INIBWMSJQULLHD-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO COC1CC(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000703398326 712075501 /nfs/dbraw/zinc/07/55/01/712075501.db2.gz ODTHRIJIRKVPGY-POOIEITISA-N 1 0 222.332 2.035 20 30 BEEDRO C[N@@H+]1CC[C@@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000712597292 712435950 /nfs/dbraw/zinc/43/59/50/712435950.db2.gz XDIZTJFEQWTFHA-LLVKDONJSA-N 1 0 235.718 2.328 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000715044221 712504850 /nfs/dbraw/zinc/50/48/50/712504850.db2.gz UULCOPSMWQWOQR-LPEHRKFASA-N 1 0 237.265 2.054 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000716928697 712596462 /nfs/dbraw/zinc/59/64/62/712596462.db2.gz MAJQDMXKEHPBTF-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000716928829 712596482 /nfs/dbraw/zinc/59/64/82/712596482.db2.gz OOJLIXSIUQQZIA-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CCC(C)C ZINC000716928464 712596483 /nfs/dbraw/zinc/59/64/83/712596483.db2.gz JERSWESCKIKKBZ-CHWSQXEVSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CC1CCCCC1 ZINC000716928719 712596595 /nfs/dbraw/zinc/59/65/95/712596595.db2.gz MPUMGMXZZQAYGM-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000379818421 712611831 /nfs/dbraw/zinc/61/18/31/712611831.db2.gz ROEQBUNAQLXPPQ-MNOVXSKESA-N 1 0 212.337 2.281 20 30 BEEDRO CC(C)[C@H](O)CC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000879308352 712632952 /nfs/dbraw/zinc/63/29/52/712632952.db2.gz APHUGWUIUXAQEG-JHJVBQTASA-N 1 0 224.348 2.017 20 30 BEEDRO C#CCCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000379932048 712632373 /nfs/dbraw/zinc/63/23/73/712632373.db2.gz PGHHZLGAFSLZFX-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cncs2)CC1 ZINC000717421699 712657444 /nfs/dbraw/zinc/65/74/44/712657444.db2.gz COUMNIRLVFREEH-UHFFFAOYSA-N 1 0 238.356 2.046 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CO)CCC1 ZINC000717649547 712663386 /nfs/dbraw/zinc/66/33/86/712663386.db2.gz NVRIEAJJMXZZMH-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000717698364 712665335 /nfs/dbraw/zinc/66/53/35/712665335.db2.gz DYZYKRKQMQFDAZ-RBSFLKMASA-N 1 0 235.371 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1C ZINC000717699504 712665388 /nfs/dbraw/zinc/66/53/88/712665388.db2.gz PSFZGHCGSRZMDK-CYBMUJFWSA-N 1 0 237.730 2.122 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](CCC)[C@H]1CC1(C)C ZINC000717727197 712667677 /nfs/dbraw/zinc/66/76/77/712667677.db2.gz HMKGUWAHVCEFOG-JHJVBQTASA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000717823986 712681686 /nfs/dbraw/zinc/68/16/86/712681686.db2.gz USOUPIJBDCIRBN-AAVRWANBSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@H](C)C1CCCCC1 ZINC000717841684 712691590 /nfs/dbraw/zinc/69/15/90/712691590.db2.gz VJESNKKAXHOEDN-JSGCOSHPSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CCN(C)Cc1c(C)noc1CC ZINC000930589722 712713139 /nfs/dbraw/zinc/71/31/39/712713139.db2.gz NHUNLMPABDQJGV-UHFFFAOYSA-N 1 0 206.289 2.001 20 30 BEEDRO COCC(C)(C)CC[NH2+]Cc1ccc(C#N)o1 ZINC000718653074 712776880 /nfs/dbraw/zinc/77/68/80/712776880.db2.gz KCYRKTWVMLEYCB-UHFFFAOYSA-N 1 0 236.315 2.304 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000718846564 712786035 /nfs/dbraw/zinc/78/60/35/712786035.db2.gz YXJRQTMQIIECJH-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(CC)C[NH+]1CCC(C2OCCO2)CC1 ZINC000719083214 712796309 /nfs/dbraw/zinc/79/63/09/712796309.db2.gz ZKJJAOJWJMXVHH-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000720250084 712829777 /nfs/dbraw/zinc/82/97/77/712829777.db2.gz QPPFJGOULJPRRD-CYBMUJFWSA-N 1 0 231.339 2.441 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]CCC(C)(C)C#N ZINC000720243087 712830018 /nfs/dbraw/zinc/83/00/18/712830018.db2.gz RXHZRRCIPHIDBS-SNVBAGLBSA-N 1 0 212.337 2.329 20 30 BEEDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CC(C)(C)C#N ZINC000380234236 712838908 /nfs/dbraw/zinc/83/89/08/712838908.db2.gz RZUDUYUHCLJGKB-GFCCVEGCSA-N 1 0 234.347 2.047 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000720457138 712844270 /nfs/dbraw/zinc/84/42/70/712844270.db2.gz HHEBGWHIWGJSCO-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC)C[C@H]1CC ZINC001037753240 712886665 /nfs/dbraw/zinc/88/66/65/712886665.db2.gz WYZOJCJBHNANHY-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCC)C[C@H]1CC ZINC001037766121 712886671 /nfs/dbraw/zinc/88/66/71/712886671.db2.gz LCTANSVXCBYUPD-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000380361010 712897577 /nfs/dbraw/zinc/89/75/77/712897577.db2.gz YKEUHRSYQOIYHE-OLZOCXBDSA-N 1 0 212.381 2.497 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381327305 710623101 /nfs/dbraw/zinc/62/31/01/710623101.db2.gz RNPAUFLRMZKVHM-UTUOFQBUSA-N 1 0 218.300 2.492 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000381404987 710633388 /nfs/dbraw/zinc/63/33/88/710633388.db2.gz SELWEZGYBPZVKC-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)=C2CCCC2)C1 ZINC001018700332 710667863 /nfs/dbraw/zinc/66/78/63/710667863.db2.gz ZDDANEWNLAXDHI-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724231739 710738239 /nfs/dbraw/zinc/73/82/39/710738239.db2.gz BUOBKERZENOXLR-MYJAWHEDSA-N 1 0 203.713 2.285 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1nc2ccccc2n1C ZINC000384182915 710807107 /nfs/dbraw/zinc/80/71/07/710807107.db2.gz QUUDOWHNZLJDMF-OAHLLOKOSA-N 1 0 241.338 2.465 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cncc(F)c1 ZINC000384193694 710814707 /nfs/dbraw/zinc/81/47/07/710814707.db2.gz WWHGHBBVJHGYCB-GFCCVEGCSA-N 1 0 206.264 2.112 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000384193141 710815273 /nfs/dbraw/zinc/81/52/73/710815273.db2.gz ICUDZEYIYBLXPJ-BXUZGUMPSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)[C@@H](C)C1 ZINC001044530506 710828210 /nfs/dbraw/zinc/82/82/10/710828210.db2.gz LCDHCVUXXFURFD-OAIDTJHVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C=C2CCC2)[C@@H](C)C1 ZINC001044542109 710828745 /nfs/dbraw/zinc/82/87/45/710828745.db2.gz CKAXGZWCVJXVTH-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903119171 710893566 /nfs/dbraw/zinc/89/35/66/710893566.db2.gz HFXULVLDWPYFJI-LBPRGKRZSA-N 1 0 239.384 2.044 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)CCc1ccccc1 ZINC000801914521 710874364 /nfs/dbraw/zinc/87/43/64/710874364.db2.gz JMVXMUYGWKNPPE-CQSZACIVSA-N 1 0 246.354 2.480 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([C@H](C)[NH2+]CC)C1 ZINC001047930371 710876000 /nfs/dbraw/zinc/87/60/00/710876000.db2.gz CTGFXOXYRPOUET-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([C@@H](C)[NH2+]CC)C1 ZINC001047930369 710876483 /nfs/dbraw/zinc/87/64/83/710876483.db2.gz CTGFXOXYRPOUET-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000903084885 710890013 /nfs/dbraw/zinc/89/00/13/710890013.db2.gz LTUWDQGVDANEGC-LLVKDONJSA-N 1 0 236.363 2.458 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001049274038 710898620 /nfs/dbraw/zinc/89/86/20/710898620.db2.gz SCXHHBXGLCJCAL-UONOGXRCSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@@H+](C/C=C(/C)C(=O)OC)C(C)(C)C ZINC000382522433 710946195 /nfs/dbraw/zinc/94/61/95/710946195.db2.gz BMYCFLXPSWCALV-FLIBITNWSA-N 1 0 225.332 2.392 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@H]1C ZINC001054342975 710930169 /nfs/dbraw/zinc/93/01/69/710930169.db2.gz JUTWDWODAJJYPX-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC)CC1 ZINC001052129253 710960498 /nfs/dbraw/zinc/96/04/98/710960498.db2.gz IVFCLWUVBYJSLJ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CCCC(C)(C)C#N ZINC000384128871 710988620 /nfs/dbraw/zinc/98/86/20/710988620.db2.gz JBQJRHDQDBYTRY-QWHCGFSZSA-N 1 0 237.391 2.341 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(C#N)c1 ZINC000384131919 710989197 /nfs/dbraw/zinc/98/91/97/710989197.db2.gz AVXVMIKCOSWALI-AWEZNQCLSA-N 1 0 212.296 2.450 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C)nc1 ZINC000384156496 710990049 /nfs/dbraw/zinc/99/00/49/710990049.db2.gz IMNHGJFLLIBTNQ-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000384142586 710990158 /nfs/dbraw/zinc/99/01/58/710990158.db2.gz NLCYKUOERXBIJN-ZDUSSCGKSA-N 1 0 232.327 2.356 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1ccncc1 ZINC000384144826 710990587 /nfs/dbraw/zinc/99/05/87/710990587.db2.gz FGNNMMWPWIRQSZ-CYBMUJFWSA-N 1 0 202.301 2.016 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000384167721 710991564 /nfs/dbraw/zinc/99/15/64/710991564.db2.gz LWLXTPITDCFADT-HNNXBMFYSA-N 1 0 242.322 2.458 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCC2(CC1)OCCO2 ZINC000385033367 711004550 /nfs/dbraw/zinc/00/45/50/711004550.db2.gz LLQHRHPTHIRNMD-UHFFFAOYSA-N 1 0 239.359 2.474 20 30 BEEDRO COc1cccc([C@@H](C)[NH2+]CCO[C@H](C)C#N)c1 ZINC000385554323 711014720 /nfs/dbraw/zinc/01/47/20/711014720.db2.gz RAXMNSRPTXFUBN-VXGBXAGGSA-N 1 0 248.326 2.274 20 30 BEEDRO COCC1(C[NH2+]CC#Cc2ccccc2)CCC1 ZINC000386710611 711035009 /nfs/dbraw/zinc/03/50/09/711035009.db2.gz UQSDNELKPVKIIY-UHFFFAOYSA-N 1 0 243.350 2.444 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)C1CCCC1 ZINC000387395171 711043057 /nfs/dbraw/zinc/04/30/57/711043057.db2.gz BOGWHKVDKCNQKL-OAHLLOKOSA-N 1 0 236.403 2.500 20 30 BEEDRO C[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)CCO1 ZINC000388667540 711065274 /nfs/dbraw/zinc/06/52/74/711065274.db2.gz GVUDXDRDRJWWTF-GOEBONIOSA-N 1 0 243.350 2.443 20 30 BEEDRO C=C(Cl)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000388823921 711069427 /nfs/dbraw/zinc/06/94/27/711069427.db2.gz UUIFQACLWXVVQP-JTQLQIEISA-N 1 0 203.713 2.238 20 30 BEEDRO C=C(Cl)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000388823923 711069709 /nfs/dbraw/zinc/06/97/09/711069709.db2.gz UUIFQACLWXVVQP-SNVBAGLBSA-N 1 0 203.713 2.238 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)C1CCCC1 ZINC000389352122 711077168 /nfs/dbraw/zinc/07/71/68/711077168.db2.gz YUTBLEKIBBEHBW-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO CCCC[N@H+](CCO[C@H](C)C#N)C1CC1 ZINC000389409368 711079080 /nfs/dbraw/zinc/07/90/80/711079080.db2.gz NQHJMDCMSFIKFG-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CSCCS2)C1 ZINC000389889245 711094899 /nfs/dbraw/zinc/09/48/99/711094899.db2.gz UPZUARRAQLIVGX-OUAUKWLOSA-N 1 0 242.413 2.117 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCCC)[C@@H]1CCCO1 ZINC000389915203 711097736 /nfs/dbraw/zinc/09/77/36/711097736.db2.gz KWUHTDPHGICEKN-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CC1(C)C)[C@@H]1CCCO1 ZINC000390487096 711120806 /nfs/dbraw/zinc/12/08/06/711120806.db2.gz OZUSGELQRMTCHD-NDBYEHHHSA-N 1 0 221.344 2.191 20 30 BEEDRO C[C@H](C#N)OCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000390631875 711129434 /nfs/dbraw/zinc/12/94/34/711129434.db2.gz LFQYWGVNCSIDDO-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000392769424 711152253 /nfs/dbraw/zinc/15/22/53/711152253.db2.gz BFWALJYUGOPHOY-HOTGVXAUSA-N 1 0 248.414 2.500 20 30 BEEDRO CC(C)(CO)CCC[NH2+]CC#Cc1ccccc1 ZINC000393381784 711157993 /nfs/dbraw/zinc/15/79/93/711157993.db2.gz RNSVEEFLFGYIEU-UHFFFAOYSA-N 1 0 245.366 2.426 20 30 BEEDRO CC(C)[N@H+](CCO[C@H](C)C#N)CC1CC1 ZINC000393819119 711175880 /nfs/dbraw/zinc/17/58/80/711175880.db2.gz INDSMJLOQSVKKJ-LLVKDONJSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCN(C)CCC[NH2+]C(C1CCC1)C1CCC1 ZINC000394150311 711185917 /nfs/dbraw/zinc/18/59/17/711185917.db2.gz GVOVSWWVXHSYQA-UHFFFAOYSA-N 1 0 248.414 2.500 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@H]1C ZINC001071415606 711191661 /nfs/dbraw/zinc/19/16/61/711191661.db2.gz BYVGPLIILJVPQP-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C2CC=CC2)CC[C@H]1C ZINC001071401681 711192022 /nfs/dbraw/zinc/19/20/22/711192022.db2.gz OQMTWVMYUQIEAQ-TZMCWYRMSA-N 1 0 248.370 2.108 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1scnc1C ZINC000395254045 711206316 /nfs/dbraw/zinc/20/63/16/711206316.db2.gz GFCXNOOFTFPUMB-LBPRGKRZSA-N 1 0 222.357 2.386 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1scnc1C ZINC000395254035 711206439 /nfs/dbraw/zinc/20/64/39/711206439.db2.gz GFCXNOOFTFPUMB-GFCCVEGCSA-N 1 0 222.357 2.386 20 30 BEEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000395768848 711214165 /nfs/dbraw/zinc/21/41/65/711214165.db2.gz FUIGVNNGVHAYAH-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CCCN[C@H]1C ZINC000396651097 711359331 /nfs/dbraw/zinc/35/93/31/711359331.db2.gz DNUQLPBVPJHFFT-RYUDHWBXSA-N 1 0 210.365 2.319 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000398693296 711414330 /nfs/dbraw/zinc/41/43/30/711414330.db2.gz SRCIQWHNDPBYED-UONOGXRCSA-N 1 0 231.339 2.035 20 30 BEEDRO C#CCCC[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000398821047 711415525 /nfs/dbraw/zinc/41/55/25/711415525.db2.gz DDLIKKKJJJJPCH-BETUJISGSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCC[NH+]1C[C@H](CC)O[C@@H](CC)C1 ZINC000398821049 711416319 /nfs/dbraw/zinc/41/63/19/711416319.db2.gz DDLIKKKJJJJPCH-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000724553762 710741910 /nfs/dbraw/zinc/74/19/10/710741910.db2.gz NNOCPTNFLSCNHV-GFCCVEGCSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)[C@@H](C)C1 ZINC001044542967 710828991 /nfs/dbraw/zinc/82/89/91/710828991.db2.gz KOYKTUPQGXCJPK-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000384210796 710833457 /nfs/dbraw/zinc/83/34/57/710833457.db2.gz OSWSQLVEEGFFSW-UONOGXRCSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)C2CC=CC2)CC1 ZINC001045396087 710838290 /nfs/dbraw/zinc/83/82/90/710838290.db2.gz YTQFJWBXABTEGX-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)c2ccoc2)CC1 ZINC001045366108 710838528 /nfs/dbraw/zinc/83/85/28/710838528.db2.gz JBWTYOBXCHUROR-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)C2=CCCC2)C1 ZINC001046239878 710856060 /nfs/dbraw/zinc/85/60/60/710856060.db2.gz NPLRLHGVUQUDIU-OAHLLOKOSA-N 1 0 248.370 2.253 20 30 BEEDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1cc(C#N)ccn1 ZINC000902907108 710889008 /nfs/dbraw/zinc/88/90/08/710889008.db2.gz NJKQWWGAJWRDSW-LLVKDONJSA-N 1 0 247.342 2.419 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]CC)C1 ZINC001054970746 710943476 /nfs/dbraw/zinc/94/34/76/710943476.db2.gz HUSXEBYMPRYVPN-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001000129009 710948577 /nfs/dbraw/zinc/94/85/77/710948577.db2.gz RSHGTYQOTCTONY-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](NC(=O)C(C)C)CC[C@H]1C ZINC001071350774 711189007 /nfs/dbraw/zinc/18/90/07/711189007.db2.gz ZMOLRAVCGIQUEQ-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](Cc1cc(C(=O)OC)co1)C(C)C ZINC000726596263 711439157 /nfs/dbraw/zinc/43/91/57/711439157.db2.gz HBNWMIHMAVEKOF-UHFFFAOYSA-N 1 0 237.299 2.463 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnc2n1CCOC2 ZINC000722821473 711475897 /nfs/dbraw/zinc/47/58/97/711475897.db2.gz WIBYDQZEEQFBBA-UHFFFAOYSA-N 1 0 249.358 2.105 20 30 BEEDRO C#CCN(C(=O)CC[NH2+]C(C)(C)C)C(C)(C)C ZINC000723035160 711496027 /nfs/dbraw/zinc/49/60/27/711496027.db2.gz FVISKBGJYHCPFX-UHFFFAOYSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723562640 711517709 /nfs/dbraw/zinc/51/77/09/711517709.db2.gz AZQNNXJEHCGVRE-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723562639 711517828 /nfs/dbraw/zinc/51/78/28/711517828.db2.gz AZQNNXJEHCGVRE-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC2(CC2)C1 ZINC000723575270 711519097 /nfs/dbraw/zinc/51/90/97/711519097.db2.gz XKLYUPVPXOELEI-AWEZNQCLSA-N 1 0 234.387 2.254 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723609865 711525078 /nfs/dbraw/zinc/52/50/78/711525078.db2.gz YUAKLLHRUWKGKJ-MGPQQGTHSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(C(C)(C)O)CC1 ZINC000715042570 711532758 /nfs/dbraw/zinc/53/27/58/711532758.db2.gz CGYZAQNXRKLAPQ-NSHDSACASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723969500 711549277 /nfs/dbraw/zinc/54/92/77/711549277.db2.gz QYIGZEZVGJFMSY-STQMWFEESA-N 1 0 209.333 2.357 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)[C@H]1CCCOC1 ZINC000723977891 711550361 /nfs/dbraw/zinc/55/03/61/711550361.db2.gz YJHIVLYBOWLWMK-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723991568 711551621 /nfs/dbraw/zinc/55/16/21/711551621.db2.gz DJNSRUNNTPLTOX-CHWSQXEVSA-N 1 0 234.343 2.085 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000724160460 711565100 /nfs/dbraw/zinc/56/51/00/711565100.db2.gz RYAHABWWOFLIMQ-ZIAGYGMSSA-N 1 0 230.311 2.167 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000724163425 711565931 /nfs/dbraw/zinc/56/59/31/711565931.db2.gz PJBRAUWUZFLTNP-HUUCEWRRSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C[C@H]1C ZINC000721501635 711571461 /nfs/dbraw/zinc/57/14/61/711571461.db2.gz SFIOZWAOLWPRDW-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C#CCCC[N@@H+](CCO)C1CCCCC1 ZINC000161145326 711580859 /nfs/dbraw/zinc/58/08/59/711580859.db2.gz JACVEAHDOAWHPF-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934767907 711603400 /nfs/dbraw/zinc/60/34/00/711603400.db2.gz APWBOVICLMGTNL-XQQFMLRXSA-N 1 0 223.385 2.473 20 30 BEEDRO N#Cc1cncc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000721536580 711619367 /nfs/dbraw/zinc/61/93/67/711619367.db2.gz WNVUOJDBWOJMHA-HZSPNIEDSA-N 1 0 227.311 2.231 20 30 BEEDRO COCC[N@@H+](Cc1cncc(C#N)c1)CC(C)C ZINC000721539191 711620259 /nfs/dbraw/zinc/62/02/59/711620259.db2.gz KLPXKAWTOPBBGG-UHFFFAOYSA-N 1 0 247.342 2.058 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1COCC[C@H]1OC ZINC000724869882 711622057 /nfs/dbraw/zinc/62/20/57/711622057.db2.gz BFPUTDIDYUFWLX-CHWSQXEVSA-N 1 0 229.364 2.350 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](CC)CCCC ZINC000717793821 711623157 /nfs/dbraw/zinc/62/31/57/711623157.db2.gz HYASUNJGBYVPHC-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C ZINC000717823200 711626297 /nfs/dbraw/zinc/62/62/97/711626297.db2.gz PNDUPLDXSIUBOK-REWJHTLYSA-N 1 0 223.360 2.175 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000721615331 711670969 /nfs/dbraw/zinc/67/09/69/711670969.db2.gz QMXFCCDTCJHOPX-GFCCVEGCSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721616217 711671056 /nfs/dbraw/zinc/67/10/56/711671056.db2.gz WCLPWPBZVFGTCT-JTQLQIEISA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721616219 711671147 /nfs/dbraw/zinc/67/11/47/711671147.db2.gz WCLPWPBZVFGTCT-SNVBAGLBSA-N 1 0 215.300 2.184 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721523709 711690565 /nfs/dbraw/zinc/69/05/65/711690565.db2.gz UICGYMPGCGUTKN-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO CCNC(NCC(CC)(CC)SC)=[NH+]CC ZINC000395838432 711698071 /nfs/dbraw/zinc/69/80/71/711698071.db2.gz IRGRJWALYWROGJ-UHFFFAOYSA-N 1 0 245.436 2.483 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000380170382 711700185 /nfs/dbraw/zinc/70/01/85/711700185.db2.gz DLGMESORIVGJTC-JTQLQIEISA-N 1 0 213.321 2.082 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000385441959 711710214 /nfs/dbraw/zinc/71/02/14/711710214.db2.gz UBNLDZYUJJDWMH-LSDHHAIUSA-N 1 0 244.338 2.463 20 30 BEEDRO C=C(Cl)CN(C)[C@H]1CCCN(C(=O)CC)C1 ZINC001027256350 711721553 /nfs/dbraw/zinc/72/15/53/711721553.db2.gz BDZSFRULQHTQDM-NSHDSACASA-N 1 0 244.766 2.072 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cc2c(cc1O)OCO2 ZINC000125327043 711722077 /nfs/dbraw/zinc/72/20/77/711722077.db2.gz XLTVWLCCQWPBRO-UHFFFAOYSA-N 1 0 247.294 2.295 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)o1 ZINC000722315174 711734592 /nfs/dbraw/zinc/73/45/92/711734592.db2.gz PNOIUFGTROGNMJ-KBPBESRZSA-N 1 0 246.310 2.198 20 30 BEEDRO CC[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000037703998 711754939 /nfs/dbraw/zinc/75/49/39/711754939.db2.gz NFIKSEWPVFSFID-UHFFFAOYSA-N 1 0 218.300 2.479 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3cn[nH]c3)CC2)C1 ZINC000338947950 711767503 /nfs/dbraw/zinc/76/75/03/711767503.db2.gz LJWFFEFLRRVZIM-FZMZJTMJSA-N 1 0 244.342 2.281 20 30 BEEDRO Cn1ncc(C[NH2+]CC(C)(C)CC#N)c1C1CC1 ZINC000894854446 711772910 /nfs/dbraw/zinc/77/29/10/711772910.db2.gz BOEJAFXPROTANC-UHFFFAOYSA-N 1 0 246.358 2.327 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895101621 711776510 /nfs/dbraw/zinc/77/65/10/711776510.db2.gz NCPDMFRXGBBYMV-ZDUSSCGKSA-N 1 0 243.354 2.453 20 30 BEEDRO C#CC[N@@H+](Cc1cc(OC)ccc1O)C(C)C ZINC000897170554 711784800 /nfs/dbraw/zinc/78/48/00/711784800.db2.gz BBUQLDMTCQIDHQ-UHFFFAOYSA-N 1 0 233.311 2.244 20 30 BEEDRO C#CC[N@@H+](Cc1cncc(OCC)c1)C(C)C ZINC000897170763 711784829 /nfs/dbraw/zinc/78/48/29/711784829.db2.gz HEGIQSOKNNOYFY-UHFFFAOYSA-N 1 0 232.327 2.324 20 30 BEEDRO CC(C)(O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000721845584 711789185 /nfs/dbraw/zinc/78/91/85/711789185.db2.gz IUBASHTYGGXTJZ-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](COC)C(C)C ZINC000721904823 711813651 /nfs/dbraw/zinc/81/36/51/711813651.db2.gz RATFESYAWQMWCO-QWHCGFSZSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCC(=O)CC)C1 ZINC000829815672 711854276 /nfs/dbraw/zinc/85/42/76/711854276.db2.gz QLINCWIVZALIOB-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccccc1CC(=O)OC ZINC000382501255 711871280 /nfs/dbraw/zinc/87/12/80/711871280.db2.gz PYKQKILOSXWEAM-UHFFFAOYSA-N 1 0 247.338 2.410 20 30 BEEDRO C=C(Cl)CN1C[C@H]([NH3+])Cc2ccccc21 ZINC000069731606 711893894 /nfs/dbraw/zinc/89/38/94/711893894.db2.gz SHEHCUMCOQKASQ-LLVKDONJSA-N 1 0 222.719 2.129 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000382420285 711911176 /nfs/dbraw/zinc/91/11/76/711911176.db2.gz WRCZIIVPFAHGAV-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000382420283 711911177 /nfs/dbraw/zinc/91/11/77/711911177.db2.gz WRCZIIVPFAHGAV-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)=C2CCC2)C1 ZINC001033066860 711973762 /nfs/dbraw/zinc/97/37/62/711973762.db2.gz PKFVZOHUAVTSAB-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cncc(OC)c1 ZINC000700093507 711986290 /nfs/dbraw/zinc/98/62/90/711986290.db2.gz WHTIGBXBLFGQAP-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033603496 712007420 /nfs/dbraw/zinc/00/74/20/712007420.db2.gz LYVLTFHJZNRAIO-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000700946064 712010520 /nfs/dbraw/zinc/01/05/20/712010520.db2.gz GOQJUGUFGKPYCR-UHFFFAOYSA-N 1 0 216.328 2.474 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000701023973 712012563 /nfs/dbraw/zinc/01/25/63/712012563.db2.gz FQUNIRVCXJDINW-XKNYDFJKSA-N 1 0 248.164 2.297 20 30 BEEDRO N#Cc1ccc([C@H](O)CN2CCC[C@@H](F)C2)cc1 ZINC000701702607 712027903 /nfs/dbraw/zinc/02/79/03/712027903.db2.gz OBQDQRSAOXOZAM-ZIAGYGMSSA-N 1 0 248.301 2.026 20 30 BEEDRO Cc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1C#N ZINC000701879328 712030587 /nfs/dbraw/zinc/03/05/87/712030587.db2.gz DVFWDHIVCBQFEP-ZDUSSCGKSA-N 1 0 244.338 2.383 20 30 BEEDRO Cc1ncc(CNCc2ccc(C)c(C#N)c2)o1 ZINC000701843133 712031242 /nfs/dbraw/zinc/03/12/42/712031242.db2.gz JJSWVVWDCXRFHQ-UHFFFAOYSA-N 1 0 241.294 2.453 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701860604 712031299 /nfs/dbraw/zinc/03/12/99/712031299.db2.gz FWAHAVCNHMFLIP-UKRRQHHQSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CCSC2)cc1C#N ZINC000701844096 712031356 /nfs/dbraw/zinc/03/13/56/712031356.db2.gz SNZGLSAPKGDQQY-CYBMUJFWSA-N 1 0 232.352 2.462 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CC[NH2+]C(C)(C)C ZINC000701863045 712031364 /nfs/dbraw/zinc/03/13/64/712031364.db2.gz CLWRXULMXYXCOM-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO Cc1ccc(C[NH2+]CC2=CCCOC2)cc1C#N ZINC000701842488 712031458 /nfs/dbraw/zinc/03/14/58/712031458.db2.gz DTPPTBQYRFPBFS-UHFFFAOYSA-N 1 0 242.322 2.303 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C(C)C)C1 ZINC001034110490 712040969 /nfs/dbraw/zinc/04/09/69/712040969.db2.gz YCJKLTIIXNHENS-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CO[C@H](CC)C1)C(C)(C)C ZINC000702246003 712041722 /nfs/dbraw/zinc/04/17/22/712041722.db2.gz LHNKCZVIOQUDCV-UTUOFQBUSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C(C)(C)C ZINC000702257621 712042575 /nfs/dbraw/zinc/04/25/75/712042575.db2.gz SFBBTUMMADEXAT-SRVKXCTJSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1COCC1(C)C)C(C)(C)C ZINC000702226237 712042913 /nfs/dbraw/zinc/04/29/13/712042913.db2.gz CMKIOVGGTNEYAF-QWRGUYRKSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@](C)(CC)OC)C(C)(C)C ZINC000702227131 712043108 /nfs/dbraw/zinc/04/31/08/712043108.db2.gz IFXCADNTRUCBCL-WCQYABFASA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](OC)C1CC1)C(C)(C)C ZINC000702307446 712044146 /nfs/dbraw/zinc/04/41/46/712044146.db2.gz PSHRUNOKBVFDEF-NWDGAFQWSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(C)nc1CC)C(C)(C)C ZINC000702281878 712044778 /nfs/dbraw/zinc/04/47/78/712044778.db2.gz KULRBVKUDXKPOU-CYBMUJFWSA-N 1 0 233.359 2.120 20 30 BEEDRO C[N@@H+]1C[C@@H]2C[NH+](CCCC(C)(C)C#N)C[C@]2(C)C1 ZINC000702376485 712049281 /nfs/dbraw/zinc/04/92/81/712049281.db2.gz XRXLEMOMEDRXHD-HIFRSBDPSA-N 1 0 249.402 2.200 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CC[C@@H]1SC ZINC000702427224 712052208 /nfs/dbraw/zinc/05/22/08/712052208.db2.gz RWSWBCJNOPXKOI-SFYZADRCSA-N 1 0 236.178 2.379 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1CC(O)C1 ZINC000702450405 712053756 /nfs/dbraw/zinc/05/37/56/712053756.db2.gz PVCNCFNKXSHNLY-VOMCLLRMSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1nnc(CC)s1 ZINC000702700699 712059804 /nfs/dbraw/zinc/05/98/04/712059804.db2.gz AFZJPCPPLNTSPD-QMMMGPOBSA-N 1 0 211.334 2.155 20 30 BEEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC=CC2)CC1 ZINC001034614243 712073485 /nfs/dbraw/zinc/07/34/85/712073485.db2.gz GBMCBOBETWQVNL-HDJSIYSDSA-N 1 0 248.370 2.156 20 30 BEEDRO CC1(O)CCC([NH2+][C@@H]2CCCC[C@H]2C#N)CC1 ZINC000703551104 712078593 /nfs/dbraw/zinc/07/85/93/712078593.db2.gz WCTBZQPLCVKPDZ-RJZJGCCBSA-N 1 0 236.359 2.352 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C/C=C(\C)C(=O)OC)C1 ZINC000703661732 712083139 /nfs/dbraw/zinc/08/31/39/712083139.db2.gz CGWXADKTBHRKBT-YQCJOKCJSA-N 1 0 237.343 2.394 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H](C)C1 ZINC000703698100 712083898 /nfs/dbraw/zinc/08/38/98/712083898.db2.gz KHQHGJXZIROVQI-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H]1CCCN(c2cc[nH+]c(CO)c2)C1 ZINC000703698626 712084185 /nfs/dbraw/zinc/08/41/85/712084185.db2.gz PJPVMOCDFJKOIR-LBPRGKRZSA-N 1 0 232.327 2.366 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000703751470 712085384 /nfs/dbraw/zinc/08/53/84/712085384.db2.gz CMRRDASQHZRXKP-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000703756369 712085433 /nfs/dbraw/zinc/08/54/33/712085433.db2.gz LTVIYWVAUYDBFX-ZDUSSCGKSA-N 1 0 226.364 2.073 20 30 BEEDRO C#CCCC[NH+]1CCC(CCOC)CC1 ZINC000704135621 712100388 /nfs/dbraw/zinc/10/03/88/712100388.db2.gz PAMPOIVJWGIRHB-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H](C)O[C@](C)(C(F)F)C1 ZINC000705019253 712121472 /nfs/dbraw/zinc/12/14/72/712121472.db2.gz JKRDDXWUNBUAAO-PWSUYJOCSA-N 1 0 231.286 2.144 20 30 BEEDRO C[C@H](F)CC[NH2+]CC#Cc1ccccc1 ZINC000705667544 712135329 /nfs/dbraw/zinc/13/53/29/712135329.db2.gz GNXAQYNSSJMXEE-LBPRGKRZSA-N 1 0 205.276 2.376 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000705942462 712138018 /nfs/dbraw/zinc/13/80/18/712138018.db2.gz UDYXRWLLCCLPGY-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C[NH+]1C[C@@]2(C)CN(CCC(C)(C)C#N)C[C@]2(C)C1 ZINC000706252366 712142819 /nfs/dbraw/zinc/14/28/19/712142819.db2.gz FCPZOWMIOKVDQN-GJZGRUSLSA-N 1 0 249.402 2.200 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)C)C[C@H]1C ZINC001035910220 712148894 /nfs/dbraw/zinc/14/88/94/712148894.db2.gz SUSNWJDDXGRLKX-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCCC12CC2 ZINC000706524892 712149148 /nfs/dbraw/zinc/14/91/48/712149148.db2.gz UYESNYIONLOPHZ-LLVKDONJSA-N 1 0 209.358 2.275 20 30 BEEDRO CC1(C)CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000706814725 712156752 /nfs/dbraw/zinc/15/67/52/712156752.db2.gz JSGGMPFTAQBFOI-CYBMUJFWSA-N 1 0 230.311 2.076 20 30 BEEDRO N#Cc1cccc(OCCC[N@@H+]2CC[C@H]3C[C@H]32)c1 ZINC000706901550 712159575 /nfs/dbraw/zinc/15/95/75/712159575.db2.gz OCLKUFORYZAGJD-DZGCQCFKSA-N 1 0 242.322 2.421 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)c(F)c1 ZINC000706968069 712160037 /nfs/dbraw/zinc/16/00/37/712160037.db2.gz QXCIEKUBNHQWIU-MFKMUULPSA-N 1 0 216.259 2.292 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1C#N ZINC000706965776 712160708 /nfs/dbraw/zinc/16/07/08/712160708.db2.gz HLIKGKBWOBZJHF-YPMHNXCESA-N 1 0 228.295 2.161 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3C[C@H]32)c1F ZINC000706963971 712160890 /nfs/dbraw/zinc/16/08/90/712160890.db2.gz APJGRYBFBPWVDA-JOYOIKCWSA-N 1 0 216.259 2.292 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000707188864 712166372 /nfs/dbraw/zinc/16/63/72/712166372.db2.gz WHIOMHYEKRXEAM-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[N@@H+](CCCCC(=O)OC)C(C)C ZINC000707532243 712171558 /nfs/dbraw/zinc/17/15/58/712171558.db2.gz DESFTHFPXWBVRZ-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000707741569 712176857 /nfs/dbraw/zinc/17/68/57/712176857.db2.gz BPFIHDJTAQGPPP-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC1(O)CC[NH+](CC2CCCCC2)CC1 ZINC000708112919 712181780 /nfs/dbraw/zinc/18/17/80/712181780.db2.gz DSVWHIGPVHIGDT-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC1(O)CC[NH+](CCC2CCCC2)CC1 ZINC000708114553 712182090 /nfs/dbraw/zinc/18/20/90/712182090.db2.gz PPYWNPAPWOLOAA-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccccc2Cl)CC1 ZINC000708143438 712182951 /nfs/dbraw/zinc/18/29/51/712182951.db2.gz ZWTUNUXBKSRQEM-UHFFFAOYSA-N 1 0 249.741 2.300 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOCC1CCC1 ZINC000708576893 712213578 /nfs/dbraw/zinc/21/35/78/712213578.db2.gz WQZZRJKZTUQXGL-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H](CCC#N)N1CCC(C)([NH+](C)C)CC1 ZINC000709922837 712233617 /nfs/dbraw/zinc/23/36/17/712233617.db2.gz JZQSMCSTCKOGAS-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC[C@H](C)O ZINC000709976022 712236746 /nfs/dbraw/zinc/23/67/46/712236746.db2.gz MTBDJKNIXRPKQK-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000710010845 712240337 /nfs/dbraw/zinc/24/03/37/712240337.db2.gz SNICLLJWHQTTKI-WOPDTQHZSA-N 1 0 224.348 2.065 20 30 BEEDRO COC1(OC)CC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000710988352 712272274 /nfs/dbraw/zinc/27/22/74/712272274.db2.gz LIIYJZFSCOYYDZ-LLVKDONJSA-N 1 0 240.347 2.057 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711030010 712275525 /nfs/dbraw/zinc/27/55/25/712275525.db2.gz BOCSBXIJMSHESZ-RFQIPJPRSA-N 1 0 221.344 2.193 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000711123227 712285260 /nfs/dbraw/zinc/28/52/60/712285260.db2.gz AXZRVHDGILYXDK-NSHDSACASA-N 1 0 248.351 2.421 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1F ZINC000711447862 712301591 /nfs/dbraw/zinc/30/15/91/712301591.db2.gz NWYWZZYJRQREEL-LLVKDONJSA-N 1 0 236.265 2.489 20 30 BEEDRO C#CCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711898016 712338811 /nfs/dbraw/zinc/33/88/11/712338811.db2.gz VVACOCWUKSPHQI-UONOGXRCSA-N 1 0 221.344 2.195 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000378674709 712356252 /nfs/dbraw/zinc/35/62/52/712356252.db2.gz NSHODXUVPYCXPG-HBNTYKKESA-N 1 0 210.321 2.082 20 30 BEEDRO C#CCCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378870840 712365538 /nfs/dbraw/zinc/36/55/38/712365538.db2.gz NFHOLHHMWKVNBC-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO CC(C)(C#N)C[NH2+]C1CC(C(F)F)C1 ZINC000379604545 712390368 /nfs/dbraw/zinc/39/03/68/712390368.db2.gz PFEOHNIMLMTBFW-UHFFFAOYSA-N 1 0 202.248 2.169 20 30 BEEDRO C[N@@H+]1CC[C@@H]1CNc1cccc(Cl)c1C#N ZINC000712593364 712435386 /nfs/dbraw/zinc/43/53/86/712435386.db2.gz AYHOHRSZUHWCHX-SECBINFHSA-N 1 0 235.718 2.328 20 30 BEEDRO C[N@@H+]1CC[C@H]1CNc1ccc(Cl)cc1C#N ZINC000712593170 712435574 /nfs/dbraw/zinc/43/55/74/712435574.db2.gz CMCBASHKHBVFEU-NSHDSACASA-N 1 0 235.718 2.328 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC(C)(C)CC[C@@H]1C ZINC000713031080 712451631 /nfs/dbraw/zinc/45/16/31/712451631.db2.gz XSHXUBNIOMWAJC-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C/C=C/CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000713498541 712463125 /nfs/dbraw/zinc/46/31/25/712463125.db2.gz AQHXLYQRTSFMRO-NHZBNJEXSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000714999375 712503349 /nfs/dbraw/zinc/50/33/49/712503349.db2.gz AGSJIVJKORGWIN-AEJSXWLSSA-N 1 0 236.281 2.020 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000715042664 712504488 /nfs/dbraw/zinc/50/44/88/712504488.db2.gz FCFUEMZNYQFMML-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO N#CC1CC[NH+](C[C@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715415279 712517476 /nfs/dbraw/zinc/51/74/76/712517476.db2.gz PWPMYQTYTBWMJD-KGLIPLIRSA-N 1 0 234.343 2.180 20 30 BEEDRO N#Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000715415743 712517834 /nfs/dbraw/zinc/51/78/34/712517834.db2.gz LPZCPCYNYTUXIY-TXEJJXNPSA-N 1 0 234.249 2.255 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000716551586 712563374 /nfs/dbraw/zinc/56/33/74/712563374.db2.gz RJDRPXKZECILSD-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000716634817 712568254 /nfs/dbraw/zinc/56/82/54/712568254.db2.gz CPIFVVBRDLICQZ-LSKIRQOJSA-N 1 0 247.367 2.396 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(C#N)s1 ZINC000716796074 712574309 /nfs/dbraw/zinc/57/43/09/712574309.db2.gz FRUNGWIYGKMIJS-ZJUUUORDSA-N 1 0 238.356 2.259 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(C#N)cs1 ZINC000716796693 712574477 /nfs/dbraw/zinc/57/44/77/712574477.db2.gz GGFREBNGEIBSHF-KOLCDFICSA-N 1 0 238.356 2.259 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CC(C)(C)C ZINC000716816508 712576504 /nfs/dbraw/zinc/57/65/04/712576504.db2.gz CIRBLKBBFYXOGA-NEPJUHHUSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000716830409 712577147 /nfs/dbraw/zinc/57/71/47/712577147.db2.gz WBPUNSJAUVAJHE-IJLUTSLNSA-N 1 0 209.333 2.049 20 30 BEEDRO N#CC[C@@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000809572894 712584352 /nfs/dbraw/zinc/58/43/52/712584352.db2.gz VZISMOJXGCQPJC-CQSZACIVSA-N 1 0 236.359 2.306 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000716932334 712596848 /nfs/dbraw/zinc/59/68/48/712596848.db2.gz DGKUCKZOICJPCZ-AWEZNQCLSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)sc1C ZINC000716931845 712596952 /nfs/dbraw/zinc/59/69/52/712596952.db2.gz BAGLQEPMEWRJKN-ZDUSSCGKSA-N 1 0 237.368 2.493 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(C)c1C ZINC000716931931 712596979 /nfs/dbraw/zinc/59/69/79/712596979.db2.gz BWMWDHOPPMULCM-OAHLLOKOSA-N 1 0 231.339 2.431 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc(C)cc2)C1 ZINC000847026895 712608320 /nfs/dbraw/zinc/60/83/20/712608320.db2.gz QXOKGUZPUHHFQA-GOEBONIOSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000858147702 712617001 /nfs/dbraw/zinc/61/70/01/712617001.db2.gz YABKKJCHPAEKNC-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)CC(C)(C)C ZINC000379871087 712619635 /nfs/dbraw/zinc/61/96/35/712619635.db2.gz QNJCZGREVCNJFN-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO CC(C)[C@H](O)CC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000879308351 712632982 /nfs/dbraw/zinc/63/29/82/712632982.db2.gz APHUGWUIUXAQEG-FRRDWIJNSA-N 1 0 224.348 2.017 20 30 BEEDRO C[N@H+](C[Si](C)(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000879308531 712632979 /nfs/dbraw/zinc/63/29/79/712632979.db2.gz PZBPSMWRXTTYIE-GHMZBOCLSA-N 1 0 210.397 2.488 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C1 ZINC000886355086 712654760 /nfs/dbraw/zinc/65/47/60/712654760.db2.gz CAHQXBUJRUKQIV-MNOVXSKESA-N 1 0 245.326 2.353 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000717419998 712657121 /nfs/dbraw/zinc/65/71/21/712657121.db2.gz VHIXZKUAUNNITO-CYBMUJFWSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccncc2C)CC1 ZINC000717438160 712657758 /nfs/dbraw/zinc/65/77/58/712657758.db2.gz GLOGKICMEMZZMX-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C=CCC1(O)CC[NH+](CCC(F)(F)F)CC1 ZINC000717462790 712659605 /nfs/dbraw/zinc/65/96/05/712659605.db2.gz VXPXGLZOZZSZOS-UHFFFAOYSA-N 1 0 237.265 2.342 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](CC)C1CCCC1 ZINC000717727232 712667659 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ZINC000039247148 1165808796 /nfs/dbraw/zinc/80/87/96/1165808796.db2.gz DTJVUTRITVXUJX-UHFFFAOYSA-N 1 0 244.382 2.423 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000715561489 967183528 /nfs/dbraw/zinc/18/35/28/967183528.db2.gz LFNOFHPRGWRZIJ-UPJWGTAASA-N 1 0 223.364 2.141 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CC(=C)Cl ZINC001128242182 967441346 /nfs/dbraw/zinc/44/13/46/967441346.db2.gz JSSFSLMQGOUJQX-UHFFFAOYSA-N 1 0 244.766 2.047 20 30 BEEDRO COc1ccc(CCC[NH+](C)C)c(C#N)c1 ZINC001250164633 967459513 /nfs/dbraw/zinc/45/95/13/967459513.db2.gz LTSMXAAUIMWPBB-UHFFFAOYSA-N 1 0 218.300 2.061 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC001205744111 967808926 /nfs/dbraw/zinc/80/89/26/967808926.db2.gz GEFXTISOZQLNSI-SRVKXCTJSA-N 1 0 209.333 2.191 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCC)C1 ZINC001206046017 968013093 /nfs/dbraw/zinc/01/30/93/968013093.db2.gz DDVHCPYNWACBNN-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@H](C)C(C)C)CCC1 ZINC001273166312 968025081 /nfs/dbraw/zinc/02/50/81/968025081.db2.gz OAHZQLXPEVGZGU-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CCCCC ZINC001670605026 1165969785 /nfs/dbraw/zinc/96/97/85/1165969785.db2.gz FJOWRXVDEZWSDK-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C=C1CCC1 ZINC001670630460 1165974741 /nfs/dbraw/zinc/97/47/41/1165974741.db2.gz QVLIUFALZYCAHF-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1CC(=C)C ZINC001670681945 1165989123 /nfs/dbraw/zinc/98/91/23/1165989123.db2.gz IDCJHULGHFDWAL-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001659082264 1165997239 /nfs/dbraw/zinc/99/72/39/1165997239.db2.gz USEIKZOYXSNYSQ-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=C(C)CC[N@H+](CC)CCNC(=O)C(C)(C)C ZINC001691048074 1166020009 /nfs/dbraw/zinc/02/00/09/1166020009.db2.gz RNNQSJVPLCOBDD-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[N@@H+]1CCC[C@H](Nc2cc(F)cc(C#N)c2)C1 ZINC000227609223 1166025968 /nfs/dbraw/zinc/02/59/68/1166025968.db2.gz NHSILKUJNHJEFY-LBPRGKRZSA-N 1 0 233.290 2.203 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CCCO ZINC001252120379 968600007 /nfs/dbraw/zinc/60/00/07/968600007.db2.gz UXEGGSKBUXOBSC-ZDUSSCGKSA-N 1 0 231.380 2.070 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]CC1(O)CC1 ZINC001252121733 968605125 /nfs/dbraw/zinc/60/51/25/968605125.db2.gz LAXLLCNZRNJEOM-ZDUSSCGKSA-N 1 0 243.391 2.212 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOC1 ZINC001252131795 968609646 /nfs/dbraw/zinc/60/96/46/968609646.db2.gz VVAZATXSWNXWQO-ZIAGYGMSSA-N 1 0 243.391 2.476 20 30 BEEDRO Cn1cc(CN2CCCC[C@@H](F)C2)cc1C#N ZINC001207103539 968634860 /nfs/dbraw/zinc/63/48/60/968634860.db2.gz WKCBSYSZVDUEAU-GFCCVEGCSA-N 1 0 235.306 2.221 20 30 BEEDRO C[N@H+](CCC#N)C[C@@H]1CCOC(C)(C)C1 ZINC001207350316 968730238 /nfs/dbraw/zinc/73/02/38/968730238.db2.gz LDFUORTVUMKWCT-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)[C@H](C)C1CC1 ZINC001772542969 1166096613 /nfs/dbraw/zinc/09/66/13/1166096613.db2.gz VOOBFSDYXWDTDE-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[N@H+](CCC#N)C[C@H]1CCOC(C)(C)C1 ZINC001207359158 968735687 /nfs/dbraw/zinc/73/56/87/968735687.db2.gz VCDBBKJQDXSPTK-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC001207363257 968741798 /nfs/dbraw/zinc/74/17/98/968741798.db2.gz MUYQCZKSGIKYOE-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H](C)CCCC(C)C ZINC001252487236 968747082 /nfs/dbraw/zinc/74/70/82/968747082.db2.gz PLEKHGQKUAJYIV-UONOGXRCSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]CC1CCCCCC1 ZINC001252493293 968751301 /nfs/dbraw/zinc/75/13/01/968751301.db2.gz PCYPHFBFHCEHAM-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(C)cs1 ZINC001252541291 968776592 /nfs/dbraw/zinc/77/65/92/968776592.db2.gz IMJWVSYHAMZIRR-LLVKDONJSA-N 1 0 211.330 2.083 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC000258229724 1166121194 /nfs/dbraw/zinc/12/11/94/1166121194.db2.gz QWARCJIEEIILPL-CYBMUJFWSA-N 1 0 216.284 2.031 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)/C=C(/C)CC ZINC001691076367 1166119896 /nfs/dbraw/zinc/11/98/96/1166119896.db2.gz KYTLLQMYTMRBSA-KXXVWKPMSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCc1cccc(F)c1 ZINC001252556475 968799867 /nfs/dbraw/zinc/79/98/67/968799867.db2.gz HIULQROVYJOTAD-AWEZNQCLSA-N 1 0 237.318 2.237 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000829180064 968820144 /nfs/dbraw/zinc/82/01/44/968820144.db2.gz RHHWPBDGPUPPFC-LLVKDONJSA-N 1 0 210.321 2.107 20 30 BEEDRO C=Cc1ccc(C[NH2+]C[C@](C)(O)C=C)cc1 ZINC001252576825 968827833 /nfs/dbraw/zinc/82/78/33/968827833.db2.gz OVUVAIBXVJJPSU-CQSZACIVSA-N 1 0 217.312 2.356 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001252579034 968830993 /nfs/dbraw/zinc/83/09/93/968830993.db2.gz SRXPWJYGIYHHFP-SMDDNHRTSA-N 1 0 235.327 2.022 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CCC[N@H+]1C(C)C ZINC001691095170 1166132392 /nfs/dbraw/zinc/13/23/92/1166132392.db2.gz SMYZZSDLLQFQIT-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1c(F)cccc1F ZINC001252587948 968842238 /nfs/dbraw/zinc/84/22/38/968842238.db2.gz YSDSYPWVWVLQTH-JTQLQIEISA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H]2CC[C@@H](C1)C2(F)F ZINC001252596845 968855650 /nfs/dbraw/zinc/85/56/50/968855650.db2.gz VLUDSXWRUDCGCF-GRYCIOLGSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1CCOC ZINC001252599711 968856968 /nfs/dbraw/zinc/85/69/68/968856968.db2.gz GPMVKFQMIAWYOI-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO CN1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001207730169 968866579 /nfs/dbraw/zinc/86/65/79/968866579.db2.gz UFNGMXFWKVCRJU-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)/C=C(\C)CC ZINC001691179539 1166155643 /nfs/dbraw/zinc/15/56/43/1166155643.db2.gz NRTMJQTZKWOHCM-OUKQBFOZSA-N 1 0 238.375 2.357 20 30 BEEDRO Cc1ccc(CCC[NH+]2CC(CC#N)C2)o1 ZINC001207938872 968937538 /nfs/dbraw/zinc/93/75/38/968937538.db2.gz WZHRXPDGULQGCG-UHFFFAOYSA-N 1 0 218.300 2.366 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)F ZINC001691242373 1166168574 /nfs/dbraw/zinc/16/85/74/1166168574.db2.gz IWDUWWYCAAUADI-NSHDSACASA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001700396247 1166183766 /nfs/dbraw/zinc/18/37/66/1166183766.db2.gz XGZJKGXGZOUPGI-STNFYNBXSA-N 1 0 238.375 2.258 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)CCC)C(C)(C)C1 ZINC001276555302 969004447 /nfs/dbraw/zinc/00/44/47/969004447.db2.gz MZXUWQUUHQXBOP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC ZINC001691338193 1166201798 /nfs/dbraw/zinc/20/17/98/1166201798.db2.gz YVKQQYOCDFVOGC-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[NH2+]CC(C)C ZINC000707747810 1166215746 /nfs/dbraw/zinc/21/57/46/1166215746.db2.gz UREJLGLSRDMOMM-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCCOC ZINC001253227227 969117427 /nfs/dbraw/zinc/11/74/27/969117427.db2.gz FMRZLUMJZPNZCL-AWEZNQCLSA-N 1 0 243.391 2.500 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001208318184 969136155 /nfs/dbraw/zinc/13/61/55/969136155.db2.gz NVHZILNIYDBJKQ-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1CCCN(C)C1 ZINC001208609455 969161603 /nfs/dbraw/zinc/16/16/03/969161603.db2.gz JTLHBFHOTITVIX-ZDUSSCGKSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCN(CC=C)CC(C)(C)C[NH+](C)C ZINC001207285349 1166273337 /nfs/dbraw/zinc/27/33/37/1166273337.db2.gz HFYFTXIDMJXXBH-UHFFFAOYSA-N 1 0 210.365 2.248 20 30 BEEDRO CCCCC[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC001253540008 969212269 /nfs/dbraw/zinc/21/22/69/969212269.db2.gz CBINAKUCONGNRC-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCC[C@H](O)C[NH2+][C@@H](CC)CC#N ZINC001253556736 969229750 /nfs/dbraw/zinc/22/97/50/969229750.db2.gz YXONJOUZNJTBAY-RYUDHWBXSA-N 1 0 212.337 2.209 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1CC ZINC001698864008 1166292899 /nfs/dbraw/zinc/29/28/99/1166292899.db2.gz PXKZRGVAJPLILK-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001253580837 969255703 /nfs/dbraw/zinc/25/57/03/969255703.db2.gz FLKCXNUMVZTQKX-KGLIPLIRSA-N 1 0 217.312 2.370 20 30 BEEDRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](O)CC#N)c1 ZINC001168925923 969263460 /nfs/dbraw/zinc/26/34/60/969263460.db2.gz VQXSQSFUCFSHDR-QWHCGFSZSA-N 1 0 232.327 2.229 20 30 BEEDRO N#C[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001208880454 969271917 /nfs/dbraw/zinc/27/19/17/969271917.db2.gz MEBPJAOAVIGCOP-QWHCGFSZSA-N 1 0 220.316 2.305 20 30 BEEDRO O[C@H]1CCC[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000227747758 1166308392 /nfs/dbraw/zinc/30/83/92/1166308392.db2.gz FKOQKJXZCDDFSL-HOTGVXAUSA-N 1 0 243.350 2.179 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001691786115 1166319874 /nfs/dbraw/zinc/31/98/74/1166319874.db2.gz OSLJXRLDVIBTFN-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H]1CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208920798 969305428 /nfs/dbraw/zinc/30/54/28/969305428.db2.gz PFBGBGQWYMCXMP-LLVKDONJSA-N 1 0 200.285 2.195 20 30 BEEDRO CC1C[NH+](CCc2ccc(C#N)cc2)C1 ZINC001208920672 969306267 /nfs/dbraw/zinc/30/62/67/969306267.db2.gz MJPJQRKKUVVEAA-UHFFFAOYSA-N 1 0 200.285 2.052 20 30 BEEDRO CCCCCCC[C@@H](C)N1CCO[C@@H](C[NH3+])C1 ZINC000228995993 1166329219 /nfs/dbraw/zinc/32/92/19/1166329219.db2.gz DZEZJCHTDKDORT-KGLIPLIRSA-N 1 0 242.407 2.395 20 30 BEEDRO C=CCN(CC[N@@H+]1CCC[C@@H]1C)C(=O)OCC ZINC001209014057 969319611 /nfs/dbraw/zinc/31/96/11/969319611.db2.gz AFPIAOGDLIYVSU-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C[N@H+](C[C@@H](O)c1cccc(C#N)c1)CC1(C)CC1 ZINC000693727670 1166346183 /nfs/dbraw/zinc/34/61/83/1166346183.db2.gz UZWZGDPUFDSLAV-CQSZACIVSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCCC[NH+]1CCC(N2CC(F)(F)C2)CC1 ZINC001209160395 969359557 /nfs/dbraw/zinc/35/95/57/969359557.db2.gz WXEXVTFIGTUEFB-UHFFFAOYSA-N 1 0 244.329 2.368 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCc2cccnc21 ZINC000226830788 1166360503 /nfs/dbraw/zinc/36/05/03/1166360503.db2.gz NYRBBBAOCHWBIX-LBPRGKRZSA-N 1 0 200.285 2.072 20 30 BEEDRO C=CCCC[N@@H+]1CCc2cccnc2C1 ZINC001209163189 969363641 /nfs/dbraw/zinc/36/36/41/969363641.db2.gz VJMWHFOQTNKDQG-UHFFFAOYSA-N 1 0 202.301 2.406 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CCC)[C@H]1C ZINC001725554335 1166398772 /nfs/dbraw/zinc/39/87/72/1166398772.db2.gz BTMBVEFMCRFYRA-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]([NH2+]CCC)C1 ZINC001209345552 969447918 /nfs/dbraw/zinc/44/79/18/969447918.db2.gz LWUFLCGQPIULEH-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCC[C@](C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109535 969446111 /nfs/dbraw/zinc/44/61/11/969446111.db2.gz CUAARVHNFKDLRT-XJFOESAGSA-N 1 0 235.375 2.284 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)s1)CC1CC1 ZINC001254039963 969458570 /nfs/dbraw/zinc/45/85/70/969458570.db2.gz LEWRNODVBDMGEH-UHFFFAOYSA-N 1 0 230.336 2.465 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)C[S@](C)=O ZINC000252816249 1166415990 /nfs/dbraw/zinc/41/59/90/1166415990.db2.gz WKJZBEJOSTWMQO-SUNKGSAMSA-N 1 0 217.378 2.088 20 30 BEEDRO C=CCCCCCC[NH+]1CCN(C(C)=O)CC1 ZINC001209435882 969506836 /nfs/dbraw/zinc/50/68/36/969506836.db2.gz OEIDSKZLQJPELI-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCCCCCC[N@@H+](C)CCC(=O)NC ZINC001209435944 969507491 /nfs/dbraw/zinc/50/74/91/969507491.db2.gz KYDCDADCFJSTCU-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCCCC[N@@H+]1CCN(C(C)=O)[C@@H](C)C1 ZINC001209433468 969504924 /nfs/dbraw/zinc/50/49/24/969504924.db2.gz XZNQHOYVGZFUPD-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CCO)C1CCCC1 ZINC000725063592 1166443160 /nfs/dbraw/zinc/44/31/60/1166443160.db2.gz AZJHRDFNMLMEBB-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)CC(C)C ZINC001169414076 969627473 /nfs/dbraw/zinc/62/74/73/969627473.db2.gz QTVQOUPZPNDFJW-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328574812 1166475946 /nfs/dbraw/zinc/47/59/46/1166475946.db2.gz XHBUEWMMMWPAMX-LBPRGKRZSA-N 1 0 216.328 2.200 20 30 BEEDRO CC(C)C[C@@](C)(C#N)N[C@H]1CCC[N@H+](C)CC1 ZINC001254513437 969683546 /nfs/dbraw/zinc/68/35/46/969683546.db2.gz ZHRAUQMVYHUZNB-KBPBESRZSA-N 1 0 237.391 2.389 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CCC[N@H+](C)CC1 ZINC001254522947 969713672 /nfs/dbraw/zinc/71/36/72/969713672.db2.gz KXOGYBLAGZKLGM-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO CN(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254643303 969759207 /nfs/dbraw/zinc/75/92/07/969759207.db2.gz NSEYDRAVLBFWPE-MQYQWHSLSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000393781392 1166532559 /nfs/dbraw/zinc/53/25/59/1166532559.db2.gz ATZMNWFLAFMRGR-GFCCVEGCSA-N 1 0 248.326 2.313 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001267580378 1166534910 /nfs/dbraw/zinc/53/49/10/1166534910.db2.gz VSNPNJYLGIEDGX-CQSZACIVSA-N 1 0 248.370 2.063 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC000724865955 1166535993 /nfs/dbraw/zinc/53/59/93/1166535993.db2.gz XYJHKIXUPAVEMA-XJFOESAGSA-N 1 0 236.359 2.426 20 30 BEEDRO CCCC[N@H+](CCC#N)C1CCOCC1 ZINC001255040540 969862481 /nfs/dbraw/zinc/86/24/81/969862481.db2.gz AKFNDCQDRKAWOL-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CC(C)OCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787447 1166684191 /nfs/dbraw/zinc/68/41/91/1166684191.db2.gz NIZURNUYEYOCEW-NSHDSACASA-N 1 0 212.337 2.329 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787402 1166684335 /nfs/dbraw/zinc/68/43/35/1166684335.db2.gz MWKLFUGHBXIYOO-GHMZBOCLSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787490 1166684458 /nfs/dbraw/zinc/68/44/58/1166684458.db2.gz NROGRZFNEVAIDO-QWRGUYRKSA-N 1 0 212.337 2.329 20 30 BEEDRO CO[C@@H](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787403 1166684609 /nfs/dbraw/zinc/68/46/09/1166684609.db2.gz MWKLFUGHBXIYOO-MNOVXSKESA-N 1 0 212.337 2.329 20 30 BEEDRO CO[C@@H](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787404 1166684636 /nfs/dbraw/zinc/68/46/36/1166684636.db2.gz MWKLFUGHBXIYOO-QWRGUYRKSA-N 1 0 212.337 2.329 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)CCC ZINC001699438353 1166718006 /nfs/dbraw/zinc/71/80/06/1166718006.db2.gz PZWORHPKKPJWNZ-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1=CCCC1 ZINC001267980233 1166730075 /nfs/dbraw/zinc/73/00/75/1166730075.db2.gz JSSHOMNTQISPHU-LBPRGKRZSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255691227 970456868 /nfs/dbraw/zinc/45/68/68/970456868.db2.gz FJSJQEDBGABDDM-GUBZILKMSA-N 1 0 237.265 2.244 20 30 BEEDRO C#CCCCCC[NH2+][C@H](CO)C(C)(C)C ZINC000686679789 1166745347 /nfs/dbraw/zinc/74/53/47/1166745347.db2.gz PJJBVXGNPIJUDS-GFCCVEGCSA-N 1 0 211.349 2.177 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](N(CCC)C(C)=O)C1 ZINC001481389498 1166755371 /nfs/dbraw/zinc/75/53/71/1166755371.db2.gz VEEMOWNWMVJHMC-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@H](C)C1CCCC1 ZINC001713473889 1166802940 /nfs/dbraw/zinc/80/29/40/1166802940.db2.gz ZNJPBNCCNCCRBS-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)CCCCC ZINC001713502032 1166803544 /nfs/dbraw/zinc/80/35/44/1166803544.db2.gz OXGPKIOHHBAKCW-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCC[NH2+][C@@H](CC)CNC(=O)C/C=C(\C)C=C ZINC001732212850 1166803648 /nfs/dbraw/zinc/80/36/48/1166803648.db2.gz XQFJUQMRPILPRE-SSUFTNFISA-N 1 0 248.370 2.017 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NCC1(C#N)CC1 ZINC001255949452 970581072 /nfs/dbraw/zinc/58/10/72/970581072.db2.gz WOHILMBUGPRPAT-LBPRGKRZSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CCC1(C)CC1 ZINC001715998850 1166823602 /nfs/dbraw/zinc/82/36/02/1166823602.db2.gz ADAJJRGSQODTBY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)Cc1cccs1 ZINC000380174154 1166842020 /nfs/dbraw/zinc/84/20/20/1166842020.db2.gz IXQMGOKVJJASOZ-QWRGUYRKSA-N 1 0 225.357 2.470 20 30 BEEDRO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)CC1CC1 ZINC001268102571 1166847240 /nfs/dbraw/zinc/84/72/40/1166847240.db2.gz WSMUSODCKYCRSS-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C[C@@H](C)CC)C1CC1 ZINC001752461105 1166858514 /nfs/dbraw/zinc/85/85/14/1166858514.db2.gz XHNCMROEVHQKHZ-AAEUAGOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCO[C@H](CC)C2)CC1 ZINC001170235427 970611315 /nfs/dbraw/zinc/61/13/15/970611315.db2.gz MCKXGMYBKBULTE-UONOGXRCSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCC[NH+]1CC(CNC(=O)C(CC)CC)C1 ZINC001481613300 1166862203 /nfs/dbraw/zinc/86/22/03/1166862203.db2.gz OXRVORJNWZFMQH-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)CNC(C)=O ZINC001755288461 1166872580 /nfs/dbraw/zinc/87/25/80/1166872580.db2.gz VBLLGGAMIJWOJJ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)(F)F ZINC001282183140 1166883721 /nfs/dbraw/zinc/88/37/21/1166883721.db2.gz GNUXEFBBVSHFAO-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCCCNc1cc[nH+]c(CC(=O)OC)c1 ZINC001170301351 970685406 /nfs/dbraw/zinc/68/54/06/970685406.db2.gz QOUHKRQULIPSMZ-UHFFFAOYSA-N 1 0 234.299 2.175 20 30 BEEDRO Cc1cc(NCC(C)(C)S)cc(C)[nH+]1 ZINC001170306020 970701991 /nfs/dbraw/zinc/70/19/91/970701991.db2.gz LLQKBJMUYMFYDH-UHFFFAOYSA-N 1 0 210.346 2.241 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2cc(Cl)ccc2C#N)C1 ZINC000304474601 1166921043 /nfs/dbraw/zinc/92/10/43/1166921043.db2.gz GDGYZGDFARMRAI-NSHDSACASA-N 1 0 236.702 2.295 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC1CC1 ZINC001268636469 1166976829 /nfs/dbraw/zinc/97/68/29/1166976829.db2.gz PKNXNWYKVDEVIX-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001268687022 1166980666 /nfs/dbraw/zinc/98/06/66/1166980666.db2.gz FMQPISMRNAVSHV-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@@H](C)NC(C)=O ZINC001268719638 1166982257 /nfs/dbraw/zinc/98/22/57/1166982257.db2.gz MBQPCSFAWBLKQQ-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO N#C[C@H]1CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167950141 1167007602 /nfs/dbraw/zinc/00/76/02/1167007602.db2.gz BFDGRTDOYIIHGS-WUHRBBMRSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H](C)CSCC ZINC001173294063 975174479 /nfs/dbraw/zinc/17/44/79/975174479.db2.gz CEXLCKSAPSQBLI-OLZOCXBDSA-N 1 0 242.432 2.368 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)CCC(C)(C)[NH3+] ZINC000398029688 1167039076 /nfs/dbraw/zinc/03/90/76/1167039076.db2.gz JBXRVEICNOAIHY-LLVKDONJSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC001173311092 975220357 /nfs/dbraw/zinc/22/03/57/975220357.db2.gz DDIIQCLPAKVUBZ-ROKHWSDSSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[NH2+]C[C@@H](NC(=O)CC)C1CCCC1 ZINC001270370518 1167061804 /nfs/dbraw/zinc/06/18/04/1167061804.db2.gz XMDJKZLIZDEILD-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@]2(C)C[C@H](O)C2)CC1 ZINC001173315399 975303016 /nfs/dbraw/zinc/30/30/16/975303016.db2.gz MVWVPMILYZMZSY-VKNLNRKYSA-N 1 0 239.359 2.003 20 30 BEEDRO C#CCC[NH2+]C1CCC(OCC=C)CC1 ZINC001173314795 975303765 /nfs/dbraw/zinc/30/37/65/975303765.db2.gz VZPBWBPHMXQHAG-UHFFFAOYSA-N 1 0 207.317 2.113 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC001332991831 975361689 /nfs/dbraw/zinc/36/16/89/975361689.db2.gz FKILMCFVVRWFKH-CHWSQXEVSA-N 1 0 222.332 2.203 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC000383913411 1167173013 /nfs/dbraw/zinc/17/30/13/1167173013.db2.gz YMCZWMVCFHLEPM-NWDGAFQWSA-N 1 0 238.375 2.222 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173591812 975443506 /nfs/dbraw/zinc/44/35/06/975443506.db2.gz SEWXYMSRMUWVGH-UNXYVOJBSA-N 1 0 205.305 2.351 20 30 BEEDRO CC[N@H+](C1COC1)C1CCC(C)(C#N)CC1 ZINC001173599761 975474371 /nfs/dbraw/zinc/47/43/71/975474371.db2.gz QNMDRIFREYBFQC-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCC[NH2+][C@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173624669 975491395 /nfs/dbraw/zinc/49/13/95/975491395.db2.gz CFKKDGXOGZTFTG-RYUDHWBXSA-N 1 0 225.332 2.274 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CC2(CCC2)CO1 ZINC001333401565 975750861 /nfs/dbraw/zinc/75/08/61/975750861.db2.gz OQOVSAMYFMLHMO-AWEZNQCLSA-N 1 0 233.355 2.291 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OCC)n1 ZINC000309032095 1167242299 /nfs/dbraw/zinc/24/22/99/1167242299.db2.gz FLGWNOPSTNUFBI-SNVBAGLBSA-N 1 0 206.289 2.144 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H](C)CCCCC ZINC000309166301 1167260457 /nfs/dbraw/zinc/26/04/57/1167260457.db2.gz JDCOEGMMVVJIJI-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CCCC(F)(F)F)C1 ZINC001333853914 976119995 /nfs/dbraw/zinc/11/99/95/976119995.db2.gz FVEOXLQCDQMPCC-NSHDSACASA-N 1 0 248.292 2.016 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(CC)CCOCC1 ZINC000309350450 1167293371 /nfs/dbraw/zinc/29/33/71/1167293371.db2.gz MZIFZOXBJPSSHJ-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC000309422741 1167303664 /nfs/dbraw/zinc/30/36/64/1167303664.db2.gz AGQARPSGJGDSBA-OCCSQVGLSA-N 1 0 219.328 2.063 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000309448445 1167307076 /nfs/dbraw/zinc/30/70/76/1167307076.db2.gz LXYNPTSQLXWZIT-UTUOFQBUSA-N 1 0 224.348 2.472 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000385345870 1167390356 /nfs/dbraw/zinc/39/03/56/1167390356.db2.gz ZHRSUFHGGPGIME-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC000385345864 1167390491 /nfs/dbraw/zinc/39/04/91/1167390491.db2.gz ZHRSUFHGGPGIME-KBPBESRZSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC(F)F ZINC001335518557 977115456 /nfs/dbraw/zinc/11/54/56/977115456.db2.gz KWRQCNGUNZLIHC-ZJUUUORDSA-N 1 0 248.317 2.168 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC([NH2+]C)C2)CC1 ZINC001204699192 1167412213 /nfs/dbraw/zinc/41/22/13/1167412213.db2.gz HHBJWSUXINKXOG-CYBMUJFWSA-N 1 0 220.360 2.193 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC#N)c1ccc(F)cc1 ZINC001335761113 977267466 /nfs/dbraw/zinc/26/74/66/977267466.db2.gz WWSLWIJIJXBNHU-OLZOCXBDSA-N 1 0 236.290 2.141 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)[C@@H]1CCCCO1 ZINC001335898369 977353655 /nfs/dbraw/zinc/35/36/55/977353655.db2.gz QYBITPPUHVDLDU-RDBSUJKOSA-N 1 0 249.358 2.367 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001336201082 977564217 /nfs/dbraw/zinc/56/42/17/977564217.db2.gz JXYLGPGIAKKSFP-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCC2(C1)OCCO2 ZINC000381298495 1167541335 /nfs/dbraw/zinc/54/13/35/1167541335.db2.gz HJEBRVMAINROLQ-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO N#CCC[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000033647129 1167552295 /nfs/dbraw/zinc/55/22/95/1167552295.db2.gz VNUBXYVPMLQGFD-GFCCVEGCSA-N 1 0 220.703 2.310 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC1(O)CCCCCC1 ZINC001336774791 977946217 /nfs/dbraw/zinc/94/62/17/977946217.db2.gz XZGRAZQEJBEPQJ-CYBMUJFWSA-N 1 0 249.358 2.105 20 30 BEEDRO C[C@@]1(C#N)CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394926 1167641634 /nfs/dbraw/zinc/64/16/34/1167641634.db2.gz HYMHTHAFVBWYDU-HNNXBMFYSA-N 1 0 247.386 2.096 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nc(C(F)F)no1 ZINC001336837451 977996243 /nfs/dbraw/zinc/99/62/43/977996243.db2.gz USPYJJZDDPGVIO-ZETCQYMHSA-N 1 0 231.246 2.452 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCN(C)C1 ZINC000167325595 1167650864 /nfs/dbraw/zinc/65/08/64/1167650864.db2.gz RZYNGWCJKDFBGT-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(C)C1 ZINC000167325378 1167650541 /nfs/dbraw/zinc/65/05/41/1167650541.db2.gz RZYNGWCJKDFBGT-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C(CC)CC)CC1 ZINC001483717180 1167720469 /nfs/dbraw/zinc/72/04/69/1167720469.db2.gz XIWPXKUCLBVYIH-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(Br)[nH]1 ZINC001232687953 978253284 /nfs/dbraw/zinc/25/32/84/978253284.db2.gz LKAYORNLFOHDBC-UHFFFAOYSA-N 1 0 229.121 2.395 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001752912042 1167764282 /nfs/dbraw/zinc/76/42/82/1167764282.db2.gz YYMPIFIGUTWZAJ-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000699435699 1167770846 /nfs/dbraw/zinc/77/08/46/1167770846.db2.gz CRULNHSECDLISJ-ZIAGYGMSSA-N 1 0 230.311 2.073 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000699438522 1167770886 /nfs/dbraw/zinc/77/08/86/1167770886.db2.gz NGXRTIFBQJMGBF-UONOGXRCSA-N 1 0 230.311 2.073 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc(F)c(C)c1 ZINC001337793224 978500034 /nfs/dbraw/zinc/50/00/34/978500034.db2.gz WZPQAKDWNVRSNR-UHFFFAOYSA-N 1 0 220.291 2.422 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H](C)CC)[C@H]1C ZINC001178567738 978600257 /nfs/dbraw/zinc/60/02/57/978600257.db2.gz XKDRZXFFBUNGRP-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC001338481088 978691629 /nfs/dbraw/zinc/69/16/29/978691629.db2.gz BUHKFDSQWCMOJV-UFBFGSQYSA-N 1 0 241.693 2.124 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](Cc2ccoc2)CC1 ZINC001204245691 978708916 /nfs/dbraw/zinc/70/89/16/978708916.db2.gz TYMWCDOHZZGSAZ-LLVKDONJSA-N 1 0 204.273 2.405 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@]1(C)CCCCO1 ZINC001180240280 978845428 /nfs/dbraw/zinc/84/54/28/978845428.db2.gz WAIIMJFJRACWCZ-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC001340077974 978964470 /nfs/dbraw/zinc/96/44/70/978964470.db2.gz JHEBRCAKLGVACJ-NWDGAFQWSA-N 1 0 238.375 2.365 20 30 BEEDRO CCCCCCCN1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235165258 978985607 /nfs/dbraw/zinc/98/56/07/978985607.db2.gz IDKZXALQUGOXSM-QWHCGFSZSA-N 1 0 210.365 2.380 20 30 BEEDRO CCC[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001341121034 979240237 /nfs/dbraw/zinc/24/02/37/979240237.db2.gz ONYOKVRUYPZSNC-XQQFMLRXSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC001341400851 979375144 /nfs/dbraw/zinc/37/51/44/979375144.db2.gz KYPGVJQVESAGSW-OLZOCXBDSA-N 1 0 238.375 2.221 20 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N#C[C@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254955926 1169240389 /nfs/dbraw/zinc/24/03/89/1169240389.db2.gz FEWJVRNDTYWJEN-IGQOVBAYSA-N 1 0 246.354 2.370 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)CCC#N)C1(C)C ZINC001327327387 972547332 /nfs/dbraw/zinc/54/73/32/972547332.db2.gz KDPGXCQBWRVURW-NTZNESFSSA-N 1 0 224.348 2.472 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H](C)CCOCC)N=N1 ZINC001172421884 974696790 /nfs/dbraw/zinc/69/67/90/974696790.db2.gz BLCCBLCFVSGQRH-LBPRGKRZSA-N 1 0 237.347 2.357 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H](C)CCOCC)N=N1 ZINC001172421883 974697229 /nfs/dbraw/zinc/69/72/29/974697229.db2.gz BLCCBLCFVSGQRH-GFCCVEGCSA-N 1 0 237.347 2.357 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001172429108 974707524 /nfs/dbraw/zinc/70/75/24/974707524.db2.gz SUMSZUHNDYAWRS-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC001172430679 974714118 /nfs/dbraw/zinc/71/41/18/974714118.db2.gz HHXFQTHMVNUIOD-GFCCVEGCSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CC(C)(C)CC ZINC001491468856 1169277282 /nfs/dbraw/zinc/27/72/82/1169277282.db2.gz JTQKZXASEIVQBN-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO CC(C)COCC[C@@H](C)[NH+]1CC(CC#N)C1 ZINC001172470209 974766620 /nfs/dbraw/zinc/76/66/20/974766620.db2.gz XPBCTFMKDLTGID-GFCCVEGCSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H]([NH3+])c1nccn1[C@H](C)CCCC#N ZINC001172477263 974774193 /nfs/dbraw/zinc/77/41/93/974774193.db2.gz YBXBOISDRORDNI-NXEZZACHSA-N 1 0 206.293 2.158 20 30 BEEDRO CCOC(=O)C[C@@H](C)[NH2+][C@@H](C)CCCC#N ZINC001172478841 974777523 /nfs/dbraw/zinc/77/75/23/974777523.db2.gz HYBMNXNNVJJQEU-WDEREUQCSA-N 1 0 226.320 2.000 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCC(=O)OC(C)(C)C ZINC001172481971 974784005 /nfs/dbraw/zinc/78/40/05/974784005.db2.gz ZMFJZKGMJDBFSJ-NSHDSACASA-N 1 0 240.347 2.390 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCOC(C)C ZINC001172442166 974802319 /nfs/dbraw/zinc/80/23/19/974802319.db2.gz SJZFSPCOJZETOP-NWDGAFQWSA-N 1 0 212.337 2.472 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]C1CC(C#N)C1 ZINC001172445828 974808364 /nfs/dbraw/zinc/80/83/64/974808364.db2.gz UOBJRBIPLFLTAK-UNXYVOJBSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]CCCCC#N ZINC001172449241 974813459 /nfs/dbraw/zinc/81/34/59/974813459.db2.gz QRXVJZPDMCCWBO-LBPRGKRZSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cn(CCF)cn1 ZINC001172487173 974817068 /nfs/dbraw/zinc/81/70/68/974817068.db2.gz KVRDUGBKVATVAU-LLVKDONJSA-N 1 0 238.310 2.025 20 30 BEEDRO CC(C)COCC[C@@H](C)[NH2+]CCCS ZINC001172459520 974823413 /nfs/dbraw/zinc/82/34/13/974823413.db2.gz ARMCQBOXGMRWFZ-LLVKDONJSA-N 1 0 219.394 2.347 20 30 BEEDRO C#CC1([NH2+][C@@H](C)CCOCC(C)C)CC1 ZINC001172465676 974827078 /nfs/dbraw/zinc/82/70/78/974827078.db2.gz WWGWRDVCHRBUAB-LBPRGKRZSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CSC1 ZINC001171186690 972823839 /nfs/dbraw/zinc/82/38/39/972823839.db2.gz YLETZZOAMXAJMM-SNVBAGLBSA-N 1 0 232.352 2.194 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC001328746272 973328621 /nfs/dbraw/zinc/32/86/21/973328621.db2.gz LULQFSMOPFQXFC-ZIAGYGMSSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C\C ZINC001329008173 973423032 /nfs/dbraw/zinc/42/30/32/973423032.db2.gz LLYOKIAGJNGXNU-JRJMJSEMSA-N 1 0 244.766 2.188 20 30 BEEDRO C[N@H+](C[C@H](O)c1cccc(C#N)c1)CC1CCC1 ZINC000402265280 970782256 /nfs/dbraw/zinc/78/22/56/970782256.db2.gz SUOSMENVRIFBHH-HNNXBMFYSA-N 1 0 244.338 2.324 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC001256401446 970809017 /nfs/dbraw/zinc/80/90/17/970809017.db2.gz SZEPYDZIWWUGER-JSGCOSHPSA-N 1 0 216.328 2.404 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000351930164 1169467237 /nfs/dbraw/zinc/46/72/37/1169467237.db2.gz YVEQVXFZMJCJOP-CYBMUJFWSA-N 1 0 211.349 2.293 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@](CO)(C(C)C)C1 ZINC000351930165 1169467324 /nfs/dbraw/zinc/46/73/24/1169467324.db2.gz YVEQVXFZMJCJOP-ZDUSSCGKSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@@H+](C)C[C@@H](C)CC ZINC001329397558 973734780 /nfs/dbraw/zinc/73/47/80/973734780.db2.gz PICQFJBPICXPFZ-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1ccc(F)cc1F ZINC001256514188 970856597 /nfs/dbraw/zinc/85/65/97/970856597.db2.gz PWJAHFSZMVBYQW-LBPRGKRZSA-N 1 0 241.281 2.034 20 30 BEEDRO CC[C@H](C#N)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256565315 970862597 /nfs/dbraw/zinc/86/25/97/970862597.db2.gz DJAVHZHNGMPDHS-LLVKDONJSA-N 1 0 223.364 2.141 20 30 BEEDRO C#CC1(NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001256563903 970864171 /nfs/dbraw/zinc/86/41/71/970864171.db2.gz JBKKFEASKRXWMM-UHFFFAOYSA-N 1 0 220.360 2.005 20 30 BEEDRO C[C@@H](C#N)N(C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256576666 970868034 /nfs/dbraw/zinc/86/80/34/970868034.db2.gz PLADQQWXOKXWQC-NSHDSACASA-N 1 0 223.364 2.093 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CC(C)(C#N)C2)CC1 ZINC001256568970 970866390 /nfs/dbraw/zinc/86/63/90/970866390.db2.gz MQELTEKXLQHRAA-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CC(CC#N)C2)CC1 ZINC001256568778 970866444 /nfs/dbraw/zinc/86/64/44/970866444.db2.gz DQDVDURGJRMTIO-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO C#C[C@H](CCCC)OC1CC[NH+](C)CC1 ZINC001222510080 972533927 /nfs/dbraw/zinc/53/39/27/972533927.db2.gz XZAWEWHVILMJPV-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc([C@H]2C[C@@H]2C)o1 ZINC001256698432 970926476 /nfs/dbraw/zinc/92/64/76/970926476.db2.gz GIJUUBKAIVJVLL-ONGXEEELSA-N 1 0 233.315 2.302 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)Cc1ccncc1 ZINC001256727631 970949744 /nfs/dbraw/zinc/94/97/44/970949744.db2.gz ZLUCNLVVKLSFFA-TZMCWYRMSA-N 1 0 216.328 2.404 20 30 BEEDRO CC#CC[C@H](CC)OCCC[N+](C)(C)C ZINC001224622062 973804253 /nfs/dbraw/zinc/80/42/53/973804253.db2.gz FNWBVXWZDABMJO-ZDUSSCGKSA-N 1 0 212.357 2.291 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccncc2)C1 ZINC001256745103 970976722 /nfs/dbraw/zinc/97/67/22/970976722.db2.gz GPXFNIOESDYBNM-KBPBESRZSA-N 1 0 228.339 2.358 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H](CC)C(C)C ZINC001148316413 973831867 /nfs/dbraw/zinc/83/18/67/973831867.db2.gz RNWOWTSVDFMDOI-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@H]1CCC ZINC001130566244 971000616 /nfs/dbraw/zinc/00/06/16/971000616.db2.gz CNXLNANETFSRDB-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256902407 971010549 /nfs/dbraw/zinc/01/05/49/971010549.db2.gz UBVAERRUOCNGAR-GFCCVEGCSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)C(CC)CC ZINC001130573744 971010964 /nfs/dbraw/zinc/01/09/64/971010964.db2.gz YEKUOZUOGPCAEL-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256895705 971014474 /nfs/dbraw/zinc/01/44/74/971014474.db2.gz XGKSZQAIYOTEMI-CYBMUJFWSA-N 1 0 234.387 2.395 20 30 BEEDRO CC[C@H](C#N)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906897 971023114 /nfs/dbraw/zinc/02/31/14/971023114.db2.gz FCBIUTAYDLMWIW-OLZOCXBDSA-N 1 0 235.375 2.285 20 30 BEEDRO CC1(C#N)CN([C@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256911588 971023544 /nfs/dbraw/zinc/02/35/44/971023544.db2.gz QBAFSNZBWDFJHX-AWEZNQCLSA-N 1 0 247.386 2.239 20 30 BEEDRO CN1CCCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001256953243 971026543 /nfs/dbraw/zinc/02/65/43/971026543.db2.gz HMWYRWRBPPSRLK-JXQTWKCFSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](CC)CC(C)C ZINC001170510813 971027247 /nfs/dbraw/zinc/02/72/47/971027247.db2.gz JYEMPVLBDKQLCQ-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO CCCOCCC[NH2+]C1CCC(C#N)CC1 ZINC001256956034 971029308 /nfs/dbraw/zinc/02/93/08/971029308.db2.gz HMPHJZKROIIMLI-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO CCCC[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC001256956538 971030234 /nfs/dbraw/zinc/03/02/34/971030234.db2.gz WKHSPMSGXBSUJQ-WXRRBKDZSA-N 1 0 224.348 2.209 20 30 BEEDRO COCC1([NH2+]C2CCC(C#N)CC2)CCC1 ZINC001256956265 971030365 /nfs/dbraw/zinc/03/03/65/971030365.db2.gz OANHVABLZSSRNO-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO CCOC(=O)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC001256953794 971030641 /nfs/dbraw/zinc/03/06/41/971030641.db2.gz MYVZBWXJDZORHX-VOMCLLRMSA-N 1 0 238.331 2.000 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCCCC2=O)CC1 ZINC001256957947 971033542 /nfs/dbraw/zinc/03/35/42/971033542.db2.gz OBFLNLYYKPJSRG-MCIGGMRASA-N 1 0 220.316 2.170 20 30 BEEDRO C[C@H]1CC(=O)CC[N@@H+]1C1CCC(C#N)CC1 ZINC001256965215 971037001 /nfs/dbraw/zinc/03/70/01/971037001.db2.gz NGDFBDWVCOOTHT-UNXYVOJBSA-N 1 0 220.316 2.122 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C#N)CC2)CC[C@]1(C)O ZINC001256963364 971038711 /nfs/dbraw/zinc/03/87/11/971038711.db2.gz GSGKVZKAGCKKJY-ABXWRUBCSA-N 1 0 236.359 2.162 20 30 BEEDRO C#CC[N@H+](C)CCCc1ccc(F)cc1 ZINC001208771192 1169504145 /nfs/dbraw/zinc/50/41/45/1169504145.db2.gz RTSQVRRGEPIPQU-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO N#CC1CCC([NH+]2CCN(C3CCC3)CC2)CC1 ZINC001256965667 971041932 /nfs/dbraw/zinc/04/19/32/971041932.db2.gz WUFDRPPIPAGLGT-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@H](N3CCCC3)C2)CC1 ZINC001256968618 971043607 /nfs/dbraw/zinc/04/36/07/971043607.db2.gz IZMJMRINPWOBCZ-YMAMQOFZSA-N 1 0 247.386 2.239 20 30 BEEDRO C[N@H+](CC1(C)COC1)C1CCC(C#N)CC1 ZINC001256969812 971045029 /nfs/dbraw/zinc/04/50/29/971045029.db2.gz POCIRSUDGSCZBI-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](CCN1CCCC1)C1CCC(C#N)CC1 ZINC001256970211 971051793 /nfs/dbraw/zinc/05/17/93/971051793.db2.gz VMCSEVJVMBGKPI-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)[C@H](C)CO1 ZINC001256972797 971052923 /nfs/dbraw/zinc/05/29/23/971052923.db2.gz GRLWBWBSKVFROV-OKZRHMCRSA-N 1 0 222.332 2.178 20 30 BEEDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCCC#N)C1 ZINC001257026842 971066327 /nfs/dbraw/zinc/06/63/27/971066327.db2.gz IBLNISUSFOFSQM-RYUDHWBXSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)[C@H]1CC[C@H]([NH2+][C@H](CC)CC#N)C1 ZINC001257041962 971072620 /nfs/dbraw/zinc/07/26/20/971072620.db2.gz WKOPABPKCJTAGZ-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)S)C1 ZINC001257030085 971068671 /nfs/dbraw/zinc/06/86/71/971068671.db2.gz PMHRGIZHOJPMES-ZJUUUORDSA-N 1 0 245.388 2.016 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CCC(S)CC2)cc1 ZINC001208928219 1169509971 /nfs/dbraw/zinc/50/99/71/1169509971.db2.gz ZMWCJVDZMRRXBI-UHFFFAOYSA-N 1 0 246.379 2.495 20 30 BEEDRO C[C@@H]1C[N@H+](CCCc2ccc(C#N)cc2)CCO1 ZINC001208855794 1169511305 /nfs/dbraw/zinc/51/13/05/1169511305.db2.gz HOUFDTHDUIPQOX-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1OC[C@@H]1CCCC[N@H+]1C ZINC001224706417 973875443 /nfs/dbraw/zinc/87/54/43/973875443.db2.gz JXXCIYFPDIOMGB-RDBSUJKOSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H](CCC)OC[C@H]1CCCC[N@@H+]1C ZINC001224707058 973879167 /nfs/dbraw/zinc/87/91/67/973879167.db2.gz OIABTFOCKJBDLX-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)[C@H](F)CC)C(C)(C)C ZINC001278989715 971093586 /nfs/dbraw/zinc/09/35/86/971093586.db2.gz OKMMQMJNILCSES-MNOVXSKESA-N 1 0 244.354 2.041 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)co2)C[C@H](C)O1 ZINC001257084457 971097919 /nfs/dbraw/zinc/09/79/19/971097919.db2.gz BNJDNCBVNVYRCF-PEGIJTEDSA-N 1 0 234.299 2.197 20 30 BEEDRO C[C@@H]1CC([NH+]2CCC(S)CC2)C[C@@H](C)O1 ZINC001257098887 971106319 /nfs/dbraw/zinc/10/63/19/971106319.db2.gz JBQJDPMSVNJKBN-NXEZZACHSA-N 1 0 229.389 2.337 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001257098516 971111237 /nfs/dbraw/zinc/11/12/37/971111237.db2.gz AVIBYBZWCCTEGS-XJFOESAGSA-N 1 0 221.344 2.288 20 30 BEEDRO COc1cccc(Nc2[nH+]ccn2C)c1C#N ZINC001210118613 1169518592 /nfs/dbraw/zinc/51/85/92/1169518592.db2.gz GNUVEVVJDLSSDJ-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C#CC1CC[NH+](C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001257103291 971116399 /nfs/dbraw/zinc/11/63/99/971116399.db2.gz RAWLNLWLTCXNAW-RYUDHWBXSA-N 1 0 221.344 2.288 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404113780 971130757 /nfs/dbraw/zinc/13/07/57/971130757.db2.gz KMQRLYGSOOOCLM-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404113783 971131392 /nfs/dbraw/zinc/13/13/92/971131392.db2.gz KMQRLYGSOOOCLM-UONOGXRCSA-N 1 0 248.301 2.354 20 30 BEEDRO CCCCCCCC(=O)NCCCC[NH3+] ZINC000103100919 971145594 /nfs/dbraw/zinc/14/55/94/971145594.db2.gz LZOQAEPIPYKRTA-UHFFFAOYSA-N 1 0 214.353 2.202 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(C)(C)CC(C)C ZINC001170545422 971146710 /nfs/dbraw/zinc/14/67/10/971146710.db2.gz BTZOQIJHGLLEQY-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO CCC[C@H](CC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257257734 971156431 /nfs/dbraw/zinc/15/64/31/971156431.db2.gz VFCWRTPVMKNFPP-DCAQKATOSA-N 1 0 230.352 2.075 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000307705977 971176124 /nfs/dbraw/zinc/17/61/24/971176124.db2.gz WTUSPRHOHIEHIW-SQWLQELKSA-N 1 0 242.366 2.261 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CCCC1 ZINC000405085372 971193321 /nfs/dbraw/zinc/19/33/21/971193321.db2.gz NHWZQJQSOLFVMI-ZSBIGDGJSA-N 1 0 204.317 2.458 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405142872 971199918 /nfs/dbraw/zinc/19/99/18/971199918.db2.gz VQZBIQJFZLOYGU-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO N#Cc1ccc(C(=[NH2+])NC2CCCC2)cc1 ZINC001257342422 971250393 /nfs/dbraw/zinc/25/03/93/971250393.db2.gz BDYLCGZMAIFFSF-UHFFFAOYSA-N 1 0 213.284 2.206 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](NC(=O)CCC)CC[C@@H]1C ZINC001131755185 971265218 /nfs/dbraw/zinc/26/52/18/971265218.db2.gz BSQJUOZCYTZHBL-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000809683240 971277009 /nfs/dbraw/zinc/27/70/09/971277009.db2.gz WGDPOBAHOVIWAN-LBPRGKRZSA-N 1 0 237.306 2.255 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CO[C@H]1C ZINC000405579384 971278180 /nfs/dbraw/zinc/27/81/80/971278180.db2.gz ISQNEEXYVBWLNS-BHDSKKPTSA-N 1 0 248.301 2.210 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@H](C)[N@H+](CCC)C1 ZINC001131894630 971287115 /nfs/dbraw/zinc/28/71/15/971287115.db2.gz AJKDCRQQEFXYPO-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC1([NH2+][C@H](C)CCC(=O)OCCCC)CC1 ZINC001257385998 971294907 /nfs/dbraw/zinc/29/49/07/971294907.db2.gz NVPXPCPWPOJVRB-GFCCVEGCSA-N 1 0 237.343 2.254 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)/C=C/C2CC2)CC[C@@H]1C ZINC001131939211 971297459 /nfs/dbraw/zinc/29/74/59/971297459.db2.gz OKECHAPQIMGUAO-GKUAPZSJSA-N 1 0 248.370 2.108 20 30 BEEDRO CCCC[C@@H](CC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001257417630 971315763 /nfs/dbraw/zinc/31/57/63/971315763.db2.gz FMQCFTQBQQHCHO-NEPJUHHUSA-N 1 0 244.379 2.465 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](F)CC ZINC001132304330 971331648 /nfs/dbraw/zinc/33/16/48/971331648.db2.gz MSTUFFHYLXFKTO-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO CC[C@H](C)[NH2+]CCOc1cccc(C#N)c1 ZINC001257432326 971340341 /nfs/dbraw/zinc/34/03/41/971340341.db2.gz WGEPWIUHBRCBSS-NSHDSACASA-N 1 0 218.300 2.325 20 30 BEEDRO N#Cc1cnc(C[NH2+]C2CCCCC2)s1 ZINC001257452872 971375490 /nfs/dbraw/zinc/37/54/90/971375490.db2.gz UEBJHOSETYBZOP-UHFFFAOYSA-N 1 0 221.329 2.437 20 30 BEEDRO C=CCCCCCCO[C@@H]1C[NH2+]C[C@@H]1F ZINC001217775843 971388082 /nfs/dbraw/zinc/38/80/82/971388082.db2.gz FBFWSYOQBIPJGB-NWDGAFQWSA-N 1 0 215.312 2.449 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CCCCC ZINC001132663528 971399384 /nfs/dbraw/zinc/39/93/84/971399384.db2.gz XSWREXVTXHVXOG-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CCCC ZINC001132663521 971399460 /nfs/dbraw/zinc/39/94/60/971399460.db2.gz XPXJRSASGLPBJI-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCCCCCO[C@H]1C[NH2+]C[C@@H]1F ZINC001217780001 971401062 /nfs/dbraw/zinc/40/10/62/971401062.db2.gz FBFWSYOQBIPJGB-RYUDHWBXSA-N 1 0 215.312 2.449 20 30 BEEDRO CCCCCCCO[C@@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001217803471 971415189 /nfs/dbraw/zinc/41/51/89/971415189.db2.gz KKYRLRKURJBFSH-UONOGXRCSA-N 1 0 240.391 2.020 20 30 BEEDRO C=C[C@@H](CCCCC)OCCN1CC[NH2+]CC1 ZINC001217836005 971430409 /nfs/dbraw/zinc/43/04/09/971430409.db2.gz VIEDHMFKGFOROF-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO C#C[C@@H](CCCCC)OC[C@H]1COC(C)(C)[NH2+]1 ZINC001217835117 971430969 /nfs/dbraw/zinc/43/09/69/971430969.db2.gz JIBHIGUTUYUPDN-STQMWFEESA-N 1 0 239.359 2.310 20 30 BEEDRO N#CCCCCCCO[C@@H]1CCC[NH2+]C1 ZINC001217857825 971449483 /nfs/dbraw/zinc/44/94/83/971449483.db2.gz VHCAYAJPVPLCBM-GFCCVEGCSA-N 1 0 210.321 2.229 20 30 BEEDRO C=C[C@]1(C)CC[C@@H](C(C)(C)OCCC[NH3+])O1 ZINC001217864907 971456945 /nfs/dbraw/zinc/45/69/45/971456945.db2.gz DWLJACVMHQRSGG-WCQYABFASA-N 1 0 227.348 2.254 20 30 BEEDRO C=C[C@]1(C)CC[C@H](C(C)(C)OCCC[NH3+])O1 ZINC001217864903 971458050 /nfs/dbraw/zinc/45/80/50/971458050.db2.gz DWLJACVMHQRSGG-DGCLKSJQSA-N 1 0 227.348 2.254 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001133142498 971462347 /nfs/dbraw/zinc/46/23/47/971462347.db2.gz DJKKQXLQDGWHDR-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C[C@H](CCC)OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217884728 971478945 /nfs/dbraw/zinc/47/89/45/971478945.db2.gz RUCYWGHNIXEHQS-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+]([C@H]2CCCSC2)C1 ZINC001257683503 971489284 /nfs/dbraw/zinc/48/92/84/971489284.db2.gz NJJMDAAMRLWKQT-WDEREUQCSA-N 1 0 210.346 2.118 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C1(C)CCCCC1 ZINC001133276558 971488432 /nfs/dbraw/zinc/48/84/32/971488432.db2.gz KDHASMRMFWXTNP-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#C[C@@H](CCCC)OC[C@@H]1CCC[NH2+]C1 ZINC001217893647 971493375 /nfs/dbraw/zinc/49/33/75/971493375.db2.gz QRALRQMXBFXPMR-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OC[C@@H]1CCC[NH2+]C1 ZINC001217897440 971501789 /nfs/dbraw/zinc/50/17/89/971501789.db2.gz XQIPTTOJQZIWQJ-CHWSQXEVSA-N 1 0 239.435 2.272 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1(CC)CC1 ZINC001133410054 971513376 /nfs/dbraw/zinc/51/33/76/971513376.db2.gz UBKNEWSKFXODJK-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[NH2+]C/C=C/Cl ZINC001133383349 971508236 /nfs/dbraw/zinc/50/82/36/971508236.db2.gz OBZFMOYVKHXTPU-NNNHXZLVSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C1(CC)CC1 ZINC001133410055 971511888 /nfs/dbraw/zinc/51/18/88/971511888.db2.gz UBKNEWSKFXODJK-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@@H](N)C3)C[C@H](C1)C2 ZINC001257887269 971517791 /nfs/dbraw/zinc/51/77/91/971517791.db2.gz ZPCJUAINCQVWLI-RBKKPWLPSA-N 1 0 220.360 2.154 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(C(=O)OC)C3)C[C@H](C1)C2 ZINC001257891618 971523463 /nfs/dbraw/zinc/52/34/63/971523463.db2.gz KSDYXQVJMKKFIG-ONXXMXGDSA-N 1 0 249.354 2.226 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+]3CCC[C@H]3C(N)=O)C[C@H](C1)C2 ZINC001257889944 971524108 /nfs/dbraw/zinc/52/41/08/971524108.db2.gz ONQNSGJDLKNZDI-PIGZVRMJSA-N 1 0 248.370 2.071 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(C)(CO)C3)C[C@H](C1)C2 ZINC001257891963 971525015 /nfs/dbraw/zinc/52/50/15/971525015.db2.gz SFAJKDASPLQKKY-PBWFPOADSA-N 1 0 235.371 2.436 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001133442802 971527680 /nfs/dbraw/zinc/52/76/80/971527680.db2.gz JNUUVDZDMKRHJJ-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1OCCCC(C)(C)O ZINC001217934054 971536567 /nfs/dbraw/zinc/53/65/67/971536567.db2.gz RMYDCKMIHKKVRN-CHWSQXEVSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1(CCC)CC1 ZINC001133461533 971538728 /nfs/dbraw/zinc/53/87/28/971538728.db2.gz XCMPJZJKAAXDDZ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(F)F ZINC001133453521 971541775 /nfs/dbraw/zinc/54/17/75/971541775.db2.gz ZRCDBWZLCBADGJ-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257910958 971543353 /nfs/dbraw/zinc/54/33/53/971543353.db2.gz ODNPPQMJVJOENA-CYBMUJFWSA-N 1 0 233.355 2.291 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001133490316 971551929 /nfs/dbraw/zinc/55/19/29/971551929.db2.gz DYPKWQYXYKDPOF-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CCc1cccc(O[C@H]2C[NH2+]C[C@H]2C)c1 ZINC001217967969 971552622 /nfs/dbraw/zinc/55/26/22/971552622.db2.gz LNFJPNVPJDEGHP-RISCZKNCSA-N 1 0 217.312 2.402 20 30 BEEDRO CC(C)C[NH+]1CCC(NC2(C#N)CCC2)CC1 ZINC001258001649 971554706 /nfs/dbraw/zinc/55/47/06/971554706.db2.gz YVFQIFIPJHCBOY-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO CCN(CCC#N)C1CC[NH+](CC(C)C)CC1 ZINC001258014223 971556337 /nfs/dbraw/zinc/55/63/37/971556337.db2.gz GCLAOEMVFAZWBB-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO Cc1cccc(C#N)c1O[C@H]1C[NH2+]CCC[C@@H]1F ZINC001217981381 971558934 /nfs/dbraw/zinc/55/89/34/971558934.db2.gz PIZKKNTYJWMELD-STQMWFEESA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1c(C#N)cccc1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217981878 971559755 /nfs/dbraw/zinc/55/97/55/971559755.db2.gz RVYOEHQCIZZXCV-GXTWGEPZSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@H](C)N[C@@]([NH3+])(CC)CO ZINC001258040434 971561714 /nfs/dbraw/zinc/56/17/14/971561714.db2.gz CGJQETKDIMHHNT-STQMWFEESA-N 1 0 230.396 2.382 20 30 BEEDRO C=C(C)c1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001217998055 971565608 /nfs/dbraw/zinc/56/56/08/971565608.db2.gz JFMIBYUXKLDBGD-QWHCGFSZSA-N 1 0 221.275 2.408 20 30 BEEDRO CC(C)(C)c1cccc(C#N)c1OC1C[NH2+]C1 ZINC001218052994 971580858 /nfs/dbraw/zinc/58/08/58/971580858.db2.gz QALDKCSDYFMLJU-UHFFFAOYSA-N 1 0 230.311 2.206 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170699505 971586981 /nfs/dbraw/zinc/58/69/81/971586981.db2.gz IRDIIJXIELDYAL-LBPRGKRZSA-N 1 0 235.277 2.387 20 30 BEEDRO Cc1cc(O[C@@H]2C[NH2+][C@H](C)C2)cc(C)c1C#N ZINC001218045047 971587983 /nfs/dbraw/zinc/58/79/83/971587983.db2.gz IWJJLXKBPNUYFX-YPMHNXCESA-N 1 0 230.311 2.304 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)/C(C)=C/C ZINC001277157439 1169613827 /nfs/dbraw/zinc/61/38/27/1169613827.db2.gz ZGFSRZXTQZVNDM-BCMYLCSRSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133758341 971594773 /nfs/dbraw/zinc/59/47/73/971594773.db2.gz IZIXDQGPEGHIGF-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C#CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC ZINC001133764432 971597152 /nfs/dbraw/zinc/59/71/52/971597152.db2.gz HFWRFQFRGJCFIC-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO CC#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC ZINC001133769981 971599656 /nfs/dbraw/zinc/59/96/56/971599656.db2.gz WQNFZAPTYORUPR-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(CC)CC ZINC001133768650 971599754 /nfs/dbraw/zinc/59/97/54/971599754.db2.gz ICAYJBOLNIUGEU-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC=C ZINC001133887866 971614724 /nfs/dbraw/zinc/61/47/24/971614724.db2.gz CDKHBIWJEGTRJF-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccncc1 ZINC000747871550 971615252 /nfs/dbraw/zinc/61/52/52/971615252.db2.gz JRYXDTWHHYTZRK-UBHSHLNASA-N 1 0 232.327 2.466 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(C)C ZINC001133888598 971615694 /nfs/dbraw/zinc/61/56/94/971615694.db2.gz KPMBTFRLMURFOH-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)c(C#N)cc1C ZINC001218207371 971627625 /nfs/dbraw/zinc/62/76/25/971627625.db2.gz QJZXIHOQSGZJQF-HNNXBMFYSA-N 1 0 242.322 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C)c(OC)c1 ZINC001218210657 971629208 /nfs/dbraw/zinc/62/92/08/971629208.db2.gz GNBOUEPWZJBPDS-CQSZACIVSA-N 1 0 233.311 2.301 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1)CCCO2 ZINC001218210991 971630558 /nfs/dbraw/zinc/63/05/58/971630558.db2.gz OFFNXINTCXJDTL-OAHLLOKOSA-N 1 0 245.322 2.309 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(NC)cc1 ZINC001218211311 971630672 /nfs/dbraw/zinc/63/06/72/971630672.db2.gz WAZWKQPZOICZAT-ZDUSSCGKSA-N 1 0 218.300 2.025 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001330577286 974328683 /nfs/dbraw/zinc/32/86/83/974328683.db2.gz KKMDHZVEZPDGPJ-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CCCC(C)C ZINC001134195760 971677753 /nfs/dbraw/zinc/67/77/53/971677753.db2.gz IRSIZDLBVDVQIS-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO N#Cc1cc(O[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001218285854 971681391 /nfs/dbraw/zinc/68/13/91/971681391.db2.gz OEBRFMNQTQMFDV-NSHDSACASA-N 1 0 236.702 2.342 20 30 BEEDRO N#Cc1cc(F)cc(O[C@H]2C[NH+]3CCC2CC3)c1 ZINC001229034037 1169644479 /nfs/dbraw/zinc/64/44/79/1169644479.db2.gz BCWXUQRPXYTKBA-AWEZNQCLSA-N 1 0 246.285 2.170 20 30 BEEDRO C#C[C@H]1CCC[C@H]1Oc1cccc(C[NH3+])c1 ZINC001218342905 971717266 /nfs/dbraw/zinc/71/72/66/971717266.db2.gz ACQPQMRMHUGOFY-GXTWGEPZSA-N 1 0 215.296 2.326 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CCCCC ZINC001134428312 971722965 /nfs/dbraw/zinc/72/29/65/971722965.db2.gz IBWMZMQRSBOUDB-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C)CC1 ZINC001134434820 971725120 /nfs/dbraw/zinc/72/51/20/971725120.db2.gz KFRBVYPBYFRGEZ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([N@@H+]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001170759808 971735210 /nfs/dbraw/zinc/73/52/10/971735210.db2.gz DKKYCPNRMKDGFQ-FIQHERPVSA-N 1 0 204.317 2.266 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](C)CC1CCCC1 ZINC001134682912 971766264 /nfs/dbraw/zinc/76/62/64/971766264.db2.gz CJQPSWVCABGKBP-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001134741096 971777338 /nfs/dbraw/zinc/77/73/38/971777338.db2.gz KMMYHPNUYZINDE-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC001170776352 971799039 /nfs/dbraw/zinc/79/90/39/971799039.db2.gz QABROMHKPDWCMB-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccc(CO)cc1 ZINC001218458301 971824341 /nfs/dbraw/zinc/82/43/41/971824341.db2.gz HFWUHAKZPKFFTR-HUUCEWRRSA-N 1 0 247.338 2.254 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001135188439 971843158 /nfs/dbraw/zinc/84/31/58/971843158.db2.gz LBTYATAITKEVSU-VXGBXAGGSA-N 1 0 240.391 2.480 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCF ZINC001135203524 971846173 /nfs/dbraw/zinc/84/61/73/971846173.db2.gz OCVHNLCBCZQXEZ-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@H](COC)C2)c1 ZINC001231658423 1169677248 /nfs/dbraw/zinc/67/72/48/1169677248.db2.gz WGANDPPALIBAKD-HNNXBMFYSA-N 1 0 229.323 2.136 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c1 ZINC001231657721 1169676277 /nfs/dbraw/zinc/67/62/77/1169676277.db2.gz LQGKTSAAUKEUHI-WFASDCNBSA-N 1 0 229.323 2.013 20 30 BEEDRO CC#CCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001135230915 971854703 /nfs/dbraw/zinc/85/47/03/971854703.db2.gz TWGLUDBYVTYPEA-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCF ZINC001135236103 971851652 /nfs/dbraw/zinc/85/16/52/971851652.db2.gz QCQFNGJSKRPPNK-QWRGUYRKSA-N 1 0 244.354 2.041 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OCC)nc2)C1 ZINC001231657701 1169678370 /nfs/dbraw/zinc/67/83/70/1169678370.db2.gz QPHSXJUJZHLQJR-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO CC#CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135230912 971855038 /nfs/dbraw/zinc/85/50/38/971855038.db2.gz TWGLUDBYVTYPEA-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)s1 ZINC001232845775 1169684893 /nfs/dbraw/zinc/68/48/93/1169684893.db2.gz PSCOQULLWDSMMB-CNDDSTCGSA-N 1 0 236.315 2.267 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccn2)C2(CC2)C1 ZINC001232480157 1169683935 /nfs/dbraw/zinc/68/39/35/1169683935.db2.gz LSTPPCROLDVNRU-NSHDSACASA-N 1 0 227.311 2.328 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000309957057 971895358 /nfs/dbraw/zinc/89/53/58/971895358.db2.gz SZJMDYJUOFWFEG-ZBFHGGJFSA-N 1 0 242.366 2.262 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC001170827983 971931702 /nfs/dbraw/zinc/93/17/02/971931702.db2.gz QGWMKSXMJZEQHS-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@H](C)[C@@H]([NH3+])CC(=O)Nc1occ(C)c1C#N ZINC001218763757 971931655 /nfs/dbraw/zinc/93/16/55/971931655.db2.gz DINDSZQIIVQYSD-KWQFWETISA-N 1 0 249.314 2.162 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCCOCC2)C1 ZINC001170827985 971933409 /nfs/dbraw/zinc/93/34/09/971933409.db2.gz QGWMKSXMJZEQHS-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CC[C@H](C)CC ZINC001135609192 971938977 /nfs/dbraw/zinc/93/89/77/971938977.db2.gz MDIUMUMOBKVDSA-SNVBAGLBSA-N 1 0 246.782 2.271 20 30 BEEDRO CC1(C#N)CC[NH+]([C@@H]2CCCOCC2)CC1 ZINC001170830267 971945664 /nfs/dbraw/zinc/94/56/64/971945664.db2.gz CAYAYFJVFBNCJY-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CCCCN(CC#N)[C@@H]1CCCOCC1 ZINC001170831437 971949726 /nfs/dbraw/zinc/94/97/26/971949726.db2.gz OWSATNGDYYSVGF-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCNC[C@H](O)C1 ZINC000310245027 971960310 /nfs/dbraw/zinc/96/03/10/971960310.db2.gz URKHETWHYAHBRM-AWEZNQCLSA-N 1 0 242.407 2.003 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@](C)(CC)CCC ZINC001135843360 971978083 /nfs/dbraw/zinc/97/80/83/971978083.db2.gz PYQAUMARVNYEHS-CQSZACIVSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@](C)(CC)CCC ZINC001135843359 971979140 /nfs/dbraw/zinc/97/91/40/971979140.db2.gz PYQAUMARVNYEHS-AWEZNQCLSA-N 1 0 240.391 2.485 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccc(OCCC#N)cc1 ZINC001170890126 972038599 /nfs/dbraw/zinc/03/85/99/972038599.db2.gz GESJFDBLOCMQCL-LLVKDONJSA-N 1 0 233.315 2.128 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]CC1(O)CNC1 ZINC001246098649 972153299 /nfs/dbraw/zinc/15/32/99/972153299.db2.gz TZWTZCSFHKVJPU-CYBMUJFWSA-N 1 0 242.407 2.049 20 30 BEEDRO Cn1ccc2c1[nH+]ccc2NCCCS ZINC001171003164 972229624 /nfs/dbraw/zinc/22/96/24/972229624.db2.gz LWMOJYXLEHORKH-UHFFFAOYSA-N 1 0 221.329 2.305 20 30 BEEDRO CS[C@@H](C)CC[NH+]1CCC(C#N)CC1 ZINC001208137437 957001644 /nfs/dbraw/zinc/00/16/44/957001644.db2.gz IOWBXDYISORZOQ-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C#CCOCC[N@@H+](C)C/C=C/c1ccccc1 ZINC001345030096 957035910 /nfs/dbraw/zinc/03/59/10/957035910.db2.gz NCMJPWWJBYOTKS-JXMROGBWSA-N 1 0 229.323 2.281 20 30 BEEDRO C#CCN1CC[NH+](C[C@H]2CCC(C)=C[C@@H]2C)CC1 ZINC001208181529 957060666 /nfs/dbraw/zinc/06/06/66/957060666.db2.gz NGWRVTUVVRDSQN-JKSUJKDBSA-N 1 0 246.398 2.230 20 30 BEEDRO C#CCN1CC[NH+](C[C@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208181528 957063039 /nfs/dbraw/zinc/06/30/39/957063039.db2.gz NGWRVTUVVRDSQN-HZPDHXFCSA-N 1 0 246.398 2.230 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)CC)C1 ZINC001266316313 957207948 /nfs/dbraw/zinc/20/79/48/957207948.db2.gz AEVLEMYRVFSLPU-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000691551564 972257015 /nfs/dbraw/zinc/25/70/15/972257015.db2.gz SQZMODDEKIYWNU-QWRGUYRKSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCC[NH+]1CCC(N2CC(F)C2)CC1 ZINC001209160318 957340197 /nfs/dbraw/zinc/34/01/97/957340197.db2.gz PRHCEGNEWOFYTI-UHFFFAOYSA-N 1 0 226.339 2.071 20 30 BEEDRO C#CCCC[N@@H+](CC)CCN(CC)CC ZINC001209265728 957372675 /nfs/dbraw/zinc/37/26/75/957372675.db2.gz FUYNZUDCFBHVAG-UHFFFAOYSA-N 1 0 210.365 2.064 20 30 BEEDRO C=CCCCCCC[N@H+]1CCOC[C@@](C)(O)C1 ZINC001209431424 957459264 /nfs/dbraw/zinc/45/92/64/957459264.db2.gz NJVNPMWRWALTRX-AWEZNQCLSA-N 1 0 241.375 2.206 20 30 BEEDRO CC[C@@H](N[C@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC001246312918 972273013 /nfs/dbraw/zinc/27/30/13/972273013.db2.gz DEWVTRNRSWXNIV-LSDHHAIUSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)C[NH2+]C(C)(C)C)C1 ZINC000705918594 957546278 /nfs/dbraw/zinc/54/62/78/957546278.db2.gz PDZURPNMWPTDOF-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C1CC1 ZINC001125334272 957552045 /nfs/dbraw/zinc/55/20/45/957552045.db2.gz JZSJOOMGXWOJDC-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCCC(C)C ZINC001167230479 957561308 /nfs/dbraw/zinc/56/13/08/957561308.db2.gz OXLHPCGKMAKWSA-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001266475843 957617871 /nfs/dbraw/zinc/61/78/71/957617871.db2.gz NHJXDZSPLTUYQA-BNOWGMLFSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001266509135 957673285 /nfs/dbraw/zinc/67/32/85/957673285.db2.gz NVIZYLJXXQIPQC-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(c2cn[nH]c2)CC1 ZINC001167298556 957684998 /nfs/dbraw/zinc/68/49/98/957684998.db2.gz SLCBSABHOXJTJP-LBPRGKRZSA-N 1 0 231.343 2.391 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001266580787 957907007 /nfs/dbraw/zinc/90/70/07/957907007.db2.gz HWJRWEPSRMELLE-IXWVBVBQSA-N 1 0 236.359 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)CCC)C1 ZINC001266582958 957914240 /nfs/dbraw/zinc/91/42/40/957914240.db2.gz IIEXOZFIZKATBU-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C2CC=CC2)C1 ZINC001266585196 957920378 /nfs/dbraw/zinc/92/03/78/957920378.db2.gz VYZLCUGHFAHOIR-HDJSIYSDSA-N 1 0 248.370 2.156 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cc1C#N ZINC001207106329 958024692 /nfs/dbraw/zinc/02/46/92/958024692.db2.gz JQRSPIKNEICVIK-LBPRGKRZSA-N 1 0 242.326 2.022 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(F)c2N)CC1 ZINC000692287432 958085235 /nfs/dbraw/zinc/08/52/35/958085235.db2.gz PNJPOOZNMRYECP-UHFFFAOYSA-N 1 0 232.302 2.253 20 30 BEEDRO Cn1c[nH+]cc1Nc1sccc1C#N ZINC001211245884 958107341 /nfs/dbraw/zinc/10/73/41/958107341.db2.gz WAIZPALEEBGNFX-UHFFFAOYSA-N 1 0 204.258 2.097 20 30 BEEDRO Cn1c[nH+]cc1Nc1csc(C#N)c1 ZINC001211248149 958116065 /nfs/dbraw/zinc/11/60/65/958116065.db2.gz JSUXESPJGPFMRN-UHFFFAOYSA-N 1 0 204.258 2.097 20 30 BEEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])C[C@@H](C)CC)CC1 ZINC000706701513 958155610 /nfs/dbraw/zinc/15/56/10/958155610.db2.gz MXJVRLXQDLOAEJ-AAEUAGOBSA-N 1 0 238.375 2.175 20 30 BEEDRO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402182796 958183135 /nfs/dbraw/zinc/18/31/35/958183135.db2.gz DYNZZAASAANGTF-KCPJHIHWSA-N 1 0 244.338 2.179 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001266705570 958283546 /nfs/dbraw/zinc/28/35/46/958283546.db2.gz LMGMFSVZQKGKHA-IONAJQSGSA-N 1 0 248.370 2.322 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001266851582 958500949 /nfs/dbraw/zinc/50/09/49/958500949.db2.gz AAPSBAMUFOEKEP-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)CC(C)C ZINC001266857519 958516074 /nfs/dbraw/zinc/51/60/74/958516074.db2.gz HWPBRYCWVXOPEJ-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000692327233 958520815 /nfs/dbraw/zinc/52/08/15/958520815.db2.gz DNOXWAMPMRYPGM-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C=C(C)C[NH2+]C1CCC(NC(=O)CCC)CC1 ZINC001266905732 958572530 /nfs/dbraw/zinc/57/25/30/958572530.db2.gz GCQJLEWODXLRTH-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C[C@H](C)CC ZINC001266931663 958609666 /nfs/dbraw/zinc/60/96/66/958609666.db2.gz BVYQVJCAOOXSKQ-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C=C1CCC1 ZINC001125552215 958661176 /nfs/dbraw/zinc/66/11/76/958661176.db2.gz QXIGTZZEKXAZMR-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)CC(C)(F)F ZINC001266969683 958684281 /nfs/dbraw/zinc/68/42/81/958684281.db2.gz DJJRHVHDNLPBTN-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO Cc1c[nH+]c(-c2ccc(O)c(C#N)c2)cc1N ZINC001242564382 1169758566 /nfs/dbraw/zinc/75/85/66/1169758566.db2.gz XGTPSANDGATTJY-UHFFFAOYSA-N 1 0 225.251 2.217 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)CCC)C1 ZINC001267075812 958839806 /nfs/dbraw/zinc/83/98/06/958839806.db2.gz QUNFCZODQBXWEV-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO N#CCCc1ccc(-n2cccc2C[NH3+])cc1 ZINC001167590090 958973200 /nfs/dbraw/zinc/97/32/00/958973200.db2.gz RDXSCXDPAGHDOC-UHFFFAOYSA-N 1 0 225.295 2.392 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@H](C)C1 ZINC001167598417 959009914 /nfs/dbraw/zinc/00/99/14/959009914.db2.gz YSRQEMKBUHCYJT-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)CCC ZINC001267182961 959068305 /nfs/dbraw/zinc/06/83/05/959068305.db2.gz CWFNCTNXYJQDDZ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO Cc1ccc(NCc2ccccc2C#N)[nH+]c1N ZINC001167634151 959156449 /nfs/dbraw/zinc/15/64/49/959156449.db2.gz TXYJFVXQFNYIDQ-UHFFFAOYSA-N 1 0 238.294 2.456 20 30 BEEDRO Cc1[nH+]ccc(NCc2ccccc2C#N)c1F ZINC001167634987 959156943 /nfs/dbraw/zinc/15/69/43/959156943.db2.gz YZQGOFVZHJXGBA-UHFFFAOYSA-N 1 0 241.269 2.435 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C ZINC001267211139 959187791 /nfs/dbraw/zinc/18/77/91/959187791.db2.gz BANLUWZWNQUGCT-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](C)CC(C)C ZINC001267219084 959208979 /nfs/dbraw/zinc/20/89/79/959208979.db2.gz MCCBIZFYKAMSAM-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC[N@@H+](CC)CCNC(=O)C=C(C)C ZINC001267234772 959264892 /nfs/dbraw/zinc/26/48/92/959264892.db2.gz NYHXRUMJTRBXKL-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2nnccc2C#N)cc1 ZINC001204607571 959295648 /nfs/dbraw/zinc/29/56/48/959295648.db2.gz YUWPVIOLHFLSMY-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCCC(=O)N(C)CC[NH2+]CCC(C)(C)C ZINC001267353408 959510689 /nfs/dbraw/zinc/51/06/89/959510689.db2.gz MXDXYXKSVXZUNT-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H](C)CCC(C)C ZINC000309072213 959574899 /nfs/dbraw/zinc/57/48/99/959574899.db2.gz FKOLAEZHECSMPX-QWHCGFSZSA-N 1 0 211.349 2.175 20 30 BEEDRO C=CCn1cc(-c2[nH+]ccc3c2CCN3)cn1 ZINC001222373029 972446470 /nfs/dbraw/zinc/44/64/70/972446470.db2.gz GAHHZQGYYTVRKN-UHFFFAOYSA-N 1 0 226.283 2.099 20 30 BEEDRO C=C[C@H](CCCCC)OCCN1CC[NH2+]CC1 ZINC001217836006 959631378 /nfs/dbraw/zinc/63/13/78/959631378.db2.gz VIEDHMFKGFOROF-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[C@H]1C ZINC001267421022 959649502 /nfs/dbraw/zinc/64/95/02/959649502.db2.gz PGGDKQPUAGICIQ-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C[n+]1cccc(NCCc2ccc(C#N)cc2)c1 ZINC001167682505 959704905 /nfs/dbraw/zinc/70/49/05/959704905.db2.gz DYUZXSXOPNFUIC-UHFFFAOYSA-N 1 0 238.314 2.037 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccccn1 ZINC000694081904 959716524 /nfs/dbraw/zinc/71/65/24/959716524.db2.gz OQTJFMYFOYRYBC-SNVBAGLBSA-N 1 0 210.708 2.355 20 30 BEEDRO C=CCn1cc(-c2ccc(C[NH3+])cc2)cn1 ZINC001222386537 972451351 /nfs/dbraw/zinc/45/13/51/972451351.db2.gz GYIQJGZEAJKPEZ-UHFFFAOYSA-N 1 0 213.284 2.195 20 30 BEEDRO CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C#N)C1 ZINC000300381159 959802892 /nfs/dbraw/zinc/80/28/92/959802892.db2.gz FAZJOUVTDOWBGU-GMTAPVOTSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)C1=CCCC1 ZINC001480968539 959866673 /nfs/dbraw/zinc/86/66/73/959866673.db2.gz BKZUXONUPUBYFO-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ncc(Cl)cc1C ZINC001218203922 959890181 /nfs/dbraw/zinc/89/01/81/959890181.db2.gz KDEWWWKBGJIYCG-NSHDSACASA-N 1 0 238.718 2.340 20 30 BEEDRO C=CCn1cc(-c2ccnc3c2CCN3)cn1 ZINC001222413491 972464964 /nfs/dbraw/zinc/46/49/64/972464964.db2.gz PUVWTQDMCLJNMJ-UHFFFAOYSA-N 1 0 226.283 2.099 20 30 BEEDRO CCCCCCCC[N@@H+]1CCC(CO)(CO)C1 ZINC000694724290 959974223 /nfs/dbraw/zinc/97/42/23/959974223.db2.gz QTBSXFRQIJUTDW-UHFFFAOYSA-N 1 0 243.391 2.024 20 30 BEEDRO C/C=C(\NC=[NH2+])N[C@@H](C)c1cccc(C#N)c1 ZINC001167709344 960011579 /nfs/dbraw/zinc/01/15/79/960011579.db2.gz XYIQUVMWMRHPRQ-COORUZNHSA-N 1 0 228.299 2.267 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccnc1N(C)C ZINC000309723949 960089515 /nfs/dbraw/zinc/08/95/15/960089515.db2.gz CQDRTVOXEMJGRK-NSHDSACASA-N 1 0 219.332 2.202 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC1C[NH+](C(C)C)C1 ZINC001267691019 960207452 /nfs/dbraw/zinc/20/74/52/960207452.db2.gz LKQLFXSMEWDUDM-AWEZNQCLSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1ccccc1CN1CCCC[C@H](C[NH3+])C1 ZINC000311182542 960219720 /nfs/dbraw/zinc/21/97/20/960219720.db2.gz ZJLUVPHHQMELIY-CYBMUJFWSA-N 1 0 243.354 2.119 20 30 BEEDRO CC(C)[C@H](C)CNC(=[NH2+])NCCc1ccccc1 ZINC000178580990 960236559 /nfs/dbraw/zinc/23/65/59/960236559.db2.gz BYZBHOIOLIIEGF-CYBMUJFWSA-N 1 0 247.386 2.426 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000178574671 960237149 /nfs/dbraw/zinc/23/71/49/960237149.db2.gz OEOYPGQMSFJUAP-GFCCVEGCSA-N 1 0 231.343 2.031 20 30 BEEDRO N#CC1CC[NH+](Cc2ccn3ccnc3c2)CC1 ZINC001141042542 960237667 /nfs/dbraw/zinc/23/76/67/960237667.db2.gz VVQVRMZTWFMFTB-UHFFFAOYSA-N 1 0 240.310 2.070 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001267762011 960305139 /nfs/dbraw/zinc/30/51/39/960305139.db2.gz BXXUVJAQFBBHGH-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)CC(C)(C)C ZINC001267796982 960369130 /nfs/dbraw/zinc/36/91/30/960369130.db2.gz ZQNXOTBYNQABEC-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)C(C)(F)F ZINC001267793334 960356258 /nfs/dbraw/zinc/35/62/58/960356258.db2.gz NBWMXRYYPDWOQT-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)C1(C)CC1 ZINC001267805376 960380672 /nfs/dbraw/zinc/38/06/72/960380672.db2.gz POXZXKOBSFGSFD-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)CC ZINC001267817997 960397727 /nfs/dbraw/zinc/39/77/27/960397727.db2.gz WRGCSNLFBUHBRI-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(=O)N[C@](C)(C[NH2+]CCC)C1CC1 ZINC001267848152 960440350 /nfs/dbraw/zinc/44/03/50/960440350.db2.gz FRJSIWIPZZSWSN-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccno1 ZINC000695778283 960455309 /nfs/dbraw/zinc/45/53/09/960455309.db2.gz MBBDJFTVPIVBIZ-VIFPVBQESA-N 1 0 207.277 2.093 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc2ccncc21 ZINC001140643785 960476831 /nfs/dbraw/zinc/47/68/31/960476831.db2.gz MHSSRLZTKRNLBP-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000695836958 960497146 /nfs/dbraw/zinc/49/71/46/960497146.db2.gz PEAONOODLZXQTF-OUCADQQQSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C(C)(C)O ZINC000695840787 960510633 /nfs/dbraw/zinc/51/06/33/960510633.db2.gz FGKBPHSDTSPMSR-WDEREUQCSA-N 1 0 226.364 2.454 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CC3(CC3(F)F)C2)C1 ZINC001327226467 972509935 /nfs/dbraw/zinc/50/99/35/972509935.db2.gz ADSCJORXPPZRPA-MFQSTILNSA-N 1 0 226.270 2.456 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@H](C)O ZINC000695859764 960532171 /nfs/dbraw/zinc/53/21/71/960532171.db2.gz RUIZJWJHAFBWJQ-DCAQKATOSA-N 1 0 212.337 2.064 20 30 BEEDRO C[N@H+](Cc1cc(F)c(C#N)c(F)c1)C1CC1 ZINC001140750970 960551396 /nfs/dbraw/zinc/55/13/96/960551396.db2.gz FHCVGDHQZPFDDK-UHFFFAOYSA-N 1 0 222.238 2.431 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695885429 960563861 /nfs/dbraw/zinc/56/38/61/960563861.db2.gz ILJXQFCVGASKKU-NEPJUHHUSA-N 1 0 224.348 2.231 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCSC1 ZINC000695888902 960564189 /nfs/dbraw/zinc/56/41/89/960564189.db2.gz XHZBNHWNAPQTPA-VHSXEESVSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695885673 960565562 /nfs/dbraw/zinc/56/55/62/960565562.db2.gz ILJXQFCVGASKKU-VXGBXAGGSA-N 1 0 224.348 2.231 20 30 BEEDRO N#CC1CC[NH+](Cc2c[nH]c3ccncc23)CC1 ZINC001140799543 960582090 /nfs/dbraw/zinc/58/20/90/960582090.db2.gz FBLWNLBQEDPQOX-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H](C)C1 ZINC001481286208 960587665 /nfs/dbraw/zinc/58/76/65/960587665.db2.gz FGIIJKCBQGLMOJ-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC1CC[NH+](Cc2c[nH]c3ccncc23)CC1 ZINC001140804958 960605338 /nfs/dbraw/zinc/60/53/38/960605338.db2.gz LSXVIQRJFCZPRZ-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C[C@H]([NH3+])[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702895 960698456 /nfs/dbraw/zinc/69/84/56/960698456.db2.gz FTIYCVMCSSRVHH-DDHJSBNISA-N 1 0 243.354 2.357 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000686673974 960780385 /nfs/dbraw/zinc/78/03/85/960780385.db2.gz QXWWYJSHDGTFHR-GFCCVEGCSA-N 1 0 219.332 2.264 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160673 960894432 /nfs/dbraw/zinc/89/44/32/960894432.db2.gz GYDBQHJCJVHRLA-UHFFFAOYSA-N 1 0 246.310 2.223 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)CC ZINC001268051352 961056243 /nfs/dbraw/zinc/05/62/43/961056243.db2.gz XECROYNLUQDSPD-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925771184 961066285 /nfs/dbraw/zinc/06/62/85/961066285.db2.gz LIXCYLCJORSXCJ-WDEREUQCSA-N 1 0 219.332 2.354 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000840839026 961212535 /nfs/dbraw/zinc/21/25/35/961212535.db2.gz WFSRBAGENZHCLO-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)C1CC1 ZINC001268098022 961220093 /nfs/dbraw/zinc/22/00/93/961220093.db2.gz NDXXUTSWOQOHKY-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cc(N)c(F)c[nH+]2)CC1 ZINC001167842365 961234070 /nfs/dbraw/zinc/23/40/70/961234070.db2.gz IAFJFLUAFXRVPN-KYZUINATSA-N 1 0 234.278 2.297 20 30 BEEDRO Cc1ccc(N[C@H]2CC[C@H](C#N)CC2)[nH+]c1N ZINC001167842708 961239945 /nfs/dbraw/zinc/23/99/45/961239945.db2.gz PUYJKQDMHAMJDK-XYPYZODXSA-N 1 0 230.315 2.467 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001268123510 961258392 /nfs/dbraw/zinc/25/83/92/961258392.db2.gz KWHHCANKKDRPOP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1c[nH]c2nc(Cl)cc(NC=[NH2+])c12 ZINC001167863962 961330995 /nfs/dbraw/zinc/33/09/95/961330995.db2.gz JEXUMBPXNYPJIO-UHFFFAOYSA-N 1 0 219.635 2.107 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[S@@](C)=O ZINC000692215755 961347859 /nfs/dbraw/zinc/34/78/59/961347859.db2.gz SEWIDJIHMLGKRR-LALPHHSUSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C)C1 ZINC000692216164 961351236 /nfs/dbraw/zinc/35/12/36/961351236.db2.gz WQBJIOBTQFJGTH-MCIONIFRSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CCC ZINC001268267273 961512963 /nfs/dbraw/zinc/51/29/63/961512963.db2.gz FBPXUGKUXFYGDP-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142672881 961590390 /nfs/dbraw/zinc/59/03/90/961590390.db2.gz QRADWJVVTNQCRK-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)C(C)C ZINC001268435640 961774403 /nfs/dbraw/zinc/77/44/03/961774403.db2.gz CTCYNNRMSLKZPZ-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccnc3[nH]ccc32)C1 ZINC001142879675 961813191 /nfs/dbraw/zinc/81/31/91/961813191.db2.gz ZDNXSWFHNYLHNU-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)CCC1CCC1 ZINC001481800166 961831441 /nfs/dbraw/zinc/83/14/41/961831441.db2.gz FMYSZDQWPJOREE-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)/C=C(\C)C1CC1 ZINC001481793437 961832023 /nfs/dbraw/zinc/83/20/23/961832023.db2.gz FOQJAIWHJVMILD-YGNAEDSMSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CC)CNC(=O)CCCC ZINC001481790627 961832105 /nfs/dbraw/zinc/83/21/05/961832105.db2.gz OZALBXQAIZCBJP-LLVKDONJSA-N 1 0 246.782 2.414 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)C(C)C ZINC001481856644 961849803 /nfs/dbraw/zinc/84/98/03/961849803.db2.gz RIGUQZUUBASGIR-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3nccn3c2)C1 ZINC001143026660 961868370 /nfs/dbraw/zinc/86/83/70/961868370.db2.gz DBUDEIUIVGBLKW-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO COc1ccccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001225216703 961877190 /nfs/dbraw/zinc/87/71/90/961877190.db2.gz ZPVKERKRPHWTET-GFCCVEGCSA-N 1 0 249.334 2.062 20 30 BEEDRO C#CCN(C)Cc1c(OC)cc(C)cc1OC ZINC001143143650 961887321 /nfs/dbraw/zinc/88/73/21/961887321.db2.gz VFXKDQHBTUKWFF-UHFFFAOYSA-N 1 0 233.311 2.077 20 30 BEEDRO COc1cccc(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001225235494 961897237 /nfs/dbraw/zinc/89/72/37/961897237.db2.gz GHXBDTUOXPOUTI-CQSZACIVSA-N 1 0 249.334 2.062 20 30 BEEDRO SC1CC[NH+](Cc2cc3cccnc3[nH]2)CC1 ZINC001143222722 961967246 /nfs/dbraw/zinc/96/72/46/961967246.db2.gz AGOHTCNWHPLAJM-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C#CCCCCC[NH+](CC)CCC(=O)OC ZINC000686686553 961971372 /nfs/dbraw/zinc/97/13/72/961971372.db2.gz ALSBFYHYZFKEFK-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1cccc(C)c1C ZINC001149641621 962113226 /nfs/dbraw/zinc/11/32/26/962113226.db2.gz AZEGCQCGYPIOMW-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO N#CCC1CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167940984 962180725 /nfs/dbraw/zinc/18/07/25/962180725.db2.gz TWSMLFLGPICKDN-ITGUQSILSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]CC=C(C)C ZINC001268659083 962256252 /nfs/dbraw/zinc/25/62/52/962256252.db2.gz LHPCCMQGLHWYSU-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[N@H+](C)CC(=C)C ZINC001268733486 962315890 /nfs/dbraw/zinc/31/58/90/962315890.db2.gz XWEWUPQCYANDQF-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C=C ZINC001268740063 962330328 /nfs/dbraw/zinc/33/03/28/962330328.db2.gz HIKQDJFBGBJDSZ-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[C@H](C(=O)NCC[NH2+]CC)c1ccccc1 ZINC001151842357 962342709 /nfs/dbraw/zinc/34/27/09/962342709.db2.gz HYHCSVTXSRZHBE-AWEZNQCLSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CCCC[NH2+]CCCN(C)C(=O)[C@@H]1C[C@H]1C ZINC001268811640 962350981 /nfs/dbraw/zinc/35/09/81/962350981.db2.gz OQVQHFWNKKLQON-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](C(=O)NCC[NH2+]CCC)c1ccccc1 ZINC001152003102 962365140 /nfs/dbraw/zinc/36/51/40/962365140.db2.gz DGYGZXKYYNOQQC-CQSZACIVSA-N 1 0 246.354 2.072 20 30 BEEDRO C=C[C@H](C(=O)NCC[NH2+]CCC)c1ccccc1 ZINC001152003099 962370560 /nfs/dbraw/zinc/37/05/60/962370560.db2.gz DGYGZXKYYNOQQC-AWEZNQCLSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001152455047 962423849 /nfs/dbraw/zinc/42/38/49/962423849.db2.gz QAFXOTDQVDVLJC-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001269061227 962435185 /nfs/dbraw/zinc/43/51/85/962435185.db2.gz HBSPPRJILOWQCH-GXTWGEPZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C[C@H](C)CC)C1CC1 ZINC001269066802 962440243 /nfs/dbraw/zinc/44/02/43/962440243.db2.gz MFDZGQRYBZEGON-YPMHNXCESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)/C(C)=C\C ZINC001152688652 962469250 /nfs/dbraw/zinc/46/92/50/962469250.db2.gz VQFFHYUQYYDMHR-FFXRNRBCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](CCC)CC(C)C ZINC001152876790 962490483 /nfs/dbraw/zinc/49/04/83/962490483.db2.gz QBMHDXGCVKUYAE-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H](CC)CCC)C1 ZINC001269182125 962499422 /nfs/dbraw/zinc/49/94/22/962499422.db2.gz DGDWHVPIYRXHFK-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CCCC ZINC001269201282 962527285 /nfs/dbraw/zinc/52/72/85/962527285.db2.gz VMCREJXAVLDTDO-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001269223982 962547410 /nfs/dbraw/zinc/54/74/10/962547410.db2.gz SGEGMMMKJIELDE-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N(C)[C@H]1CC[N@H+](CC(=C)C)C1 ZINC001269221579 962548797 /nfs/dbraw/zinc/54/87/97/962548797.db2.gz NCQATVLMBDNJNU-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)C(C)C ZINC001269371979 962635819 /nfs/dbraw/zinc/63/58/19/962635819.db2.gz QSPFQSXCXQYVKY-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC=CCC1 ZINC001269371729 962636487 /nfs/dbraw/zinc/63/64/87/962636487.db2.gz MXOZRUXIDXKOPM-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC1(C(=O)NCC[NH2+]CCC)CCCC1 ZINC001153809616 962637083 /nfs/dbraw/zinc/63/70/83/962637083.db2.gz TUEOXDNBOGZJMW-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[C@H]1C ZINC001269449290 962676431 /nfs/dbraw/zinc/67/64/31/962676431.db2.gz XNZBKMWKYKFXDA-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCCC[NH2+]CCCNC(=O)CC ZINC001153995536 962681376 /nfs/dbraw/zinc/68/13/76/962681376.db2.gz ZPLXSLGQZZCFSY-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO CCCCCCC[NH2+]CCCNC(=O)C1CC1 ZINC001154071404 962704362 /nfs/dbraw/zinc/70/43/62/962704362.db2.gz PSHFCCVNOMULQG-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO N#C[C@@H]1CC[C@@H](NC(=[NH2+])c2ccc(Cl)nc2)C1 ZINC001254635160 1169811090 /nfs/dbraw/zinc/81/10/90/1169811090.db2.gz DUSCBFMMAHPMNV-PSASIEDQSA-N 1 0 248.717 2.342 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC001254668931 1169811444 /nfs/dbraw/zinc/81/14/44/1169811444.db2.gz LTNUHGLJWURBCE-QLFBSQMISA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)c1cccs1 ZINC001154297238 962747853 /nfs/dbraw/zinc/74/78/53/962747853.db2.gz OWJUWFFWNRNODL-UHFFFAOYSA-N 1 0 238.356 2.034 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)c1cccc(C)c1 ZINC001154330070 962757616 /nfs/dbraw/zinc/75/76/16/962757616.db2.gz QMSJRMDJPFGOLR-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCC)C[C@H]1C ZINC001269917537 962824186 /nfs/dbraw/zinc/82/41/86/962824186.db2.gz PWTVKNMBZOBCGD-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)/C(C)=C/C ZINC001270027202 962842592 /nfs/dbraw/zinc/84/25/92/962842592.db2.gz IXKJKTXXMFKJCS-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)/C(C)=C\C ZINC001270027201 962843229 /nfs/dbraw/zinc/84/32/29/962843229.db2.gz IXKJKTXXMFKJCS-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]CCC(C)C ZINC001482266702 962870357 /nfs/dbraw/zinc/87/03/57/962870357.db2.gz ZLWGTFDYYWYJOP-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CCC ZINC001482268383 962880785 /nfs/dbraw/zinc/88/07/85/962880785.db2.gz XWEIDVQZSPKACY-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC[C@@H](O)c2ccccc2)C1 ZINC001254653361 1169816333 /nfs/dbraw/zinc/81/63/33/1169816333.db2.gz MWLGAVHQKRSHIN-NWANDNLSSA-N 1 0 244.338 2.392 20 30 BEEDRO Cc1ccc(CC#N)c(N[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC001154988144 962934797 /nfs/dbraw/zinc/93/47/97/962934797.db2.gz PELDWLKRHPCXBU-STQMWFEESA-N 1 0 244.342 2.138 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CC)C1 ZINC001270529710 962999372 /nfs/dbraw/zinc/99/93/72/962999372.db2.gz MQTYTIZKORXJLB-JSGCOSHPSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)CC=C ZINC001270526656 963000761 /nfs/dbraw/zinc/00/07/61/963000761.db2.gz TYAKBQKMCBLUHR-LBPRGKRZSA-N 1 0 238.375 2.117 20 30 BEEDRO CC[NH+](CC)C1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254670026 1169818223 /nfs/dbraw/zinc/81/82/23/1169818223.db2.gz YBOHZSDLVMNQJP-ZFWWWQNUSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[N@H+]([C@H]1CC[C@H](C#N)C1)C1CCN(C)CC1 ZINC001254669740 1169818277 /nfs/dbraw/zinc/81/82/77/1169818277.db2.gz UQHIVIFYIVJXQP-JSGCOSHPSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206654740 963038084 /nfs/dbraw/zinc/03/80/84/963038084.db2.gz CSJOXOAXUHNTHF-JTQLQIEISA-N 1 0 218.291 2.011 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C(C)=C\CC ZINC001155318622 963046216 /nfs/dbraw/zinc/04/62/16/963046216.db2.gz GLRIIXRWCUFUHA-LCYFTJDESA-N 1 0 238.375 2.405 20 30 BEEDRO CCN(CC[NH+]1CCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254670114 1169819804 /nfs/dbraw/zinc/81/98/04/1169819804.db2.gz ZAMVWECDNRQSHY-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1CCC ZINC001482328954 963136532 /nfs/dbraw/zinc/13/65/32/963136532.db2.gz GVFQRJJNYHSYEE-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CNc1cc(-n2ccnc2)cc[nH+]1 ZINC001155661709 963149498 /nfs/dbraw/zinc/14/94/98/963149498.db2.gz DTQMAANMUFNWQC-UHFFFAOYSA-N 1 0 214.272 2.255 20 30 BEEDRO CC(C)c1ccc(C#N)c(N[C@H](C)C[NH+](C)C)n1 ZINC001155914945 963201348 /nfs/dbraw/zinc/20/13/48/963201348.db2.gz NJBOTQLVJROREA-LLVKDONJSA-N 1 0 246.358 2.439 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)CCC ZINC001270876903 963235568 /nfs/dbraw/zinc/23/55/68/963235568.db2.gz AYEOUOXIFQIRJX-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1ccccc1 ZINC001270877796 963237546 /nfs/dbraw/zinc/23/75/46/963237546.db2.gz IPXNLNFILCZYCH-ZDUSSCGKSA-N 1 0 246.354 2.313 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)CC ZINC001270948154 963306234 /nfs/dbraw/zinc/30/62/34/963306234.db2.gz PMODVBLCNIBRJB-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)/C(C)=C\CC ZINC001270905284 963277065 /nfs/dbraw/zinc/27/70/65/963277065.db2.gz QVQVITCUDPERQA-KIWPFMIBSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)/C(C)=C/CC ZINC001270905283 963277323 /nfs/dbraw/zinc/27/73/23/963277323.db2.gz QVQVITCUDPERQA-CNELAYHGSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@H](C)C1CC1 ZINC001156258292 963292880 /nfs/dbraw/zinc/29/28/80/963292880.db2.gz UFLDCNAAOCGASF-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H](C)C[NH2+]CC1CC1 ZINC001271081537 963347177 /nfs/dbraw/zinc/34/71/77/963347177.db2.gz DZKKWAPGTFYFSU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C(F)=C(C)C ZINC001156510057 963375913 /nfs/dbraw/zinc/37/59/13/963375913.db2.gz NZWXEODXNPGFSG-UHFFFAOYSA-N 1 0 242.338 2.312 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C1=CCCC1 ZINC001156535516 963381556 /nfs/dbraw/zinc/38/15/56/963381556.db2.gz YQPWIYIUUHAVHP-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@H]1CC1(C)C ZINC001156690786 963435373 /nfs/dbraw/zinc/43/53/73/963435373.db2.gz GTMYRITVGRFVQC-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895563177 963435325 /nfs/dbraw/zinc/43/53/25/963435325.db2.gz WIORJAQUTIRLIN-GFCCVEGCSA-N 1 0 229.327 2.063 20 30 BEEDRO C#CC1([NH2+]C[C@@H]2CCC=CO2)CCCC1 ZINC000895675660 963440200 /nfs/dbraw/zinc/44/02/00/963440200.db2.gz SZCFJYDCFGGMOO-LBPRGKRZSA-N 1 0 205.301 2.215 20 30 BEEDRO C=C(C)C(=O)NCCCNc1cc(C)c(C)c[nH+]1 ZINC001156826509 963469726 /nfs/dbraw/zinc/46/97/26/963469726.db2.gz ZHPYCXWSEQRTAD-UHFFFAOYSA-N 1 0 247.342 2.193 20 30 BEEDRO C=C(C)C(=O)NCCCNc1[nH+]cc(C)cc1C ZINC001156820645 963470252 /nfs/dbraw/zinc/47/02/52/963470252.db2.gz RTPSQIUUDFLTSP-UHFFFAOYSA-N 1 0 247.342 2.193 20 30 BEEDRO C=CCCC[NH2+]C[C@H](CC(C)C)NC(C)=O ZINC001271238220 963494485 /nfs/dbraw/zinc/49/44/85/963494485.db2.gz NPEIJWIDFYUIDG-ZDUSSCGKSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccc(C#N)c(F)c1 ZINC000713921877 963565589 /nfs/dbraw/zinc/56/55/89/963565589.db2.gz AOUNAMFPZBBTDG-VIFPVBQESA-N 1 0 222.263 2.026 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC001168066260 963568508 /nfs/dbraw/zinc/56/85/08/963568508.db2.gz MGNRVZQHWHGFDK-NWDGAFQWSA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000320633051 963582867 /nfs/dbraw/zinc/58/28/67/963582867.db2.gz KYUAAHLYCWMSFB-PQAZSJQKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)CCCC ZINC001157378692 963587168 /nfs/dbraw/zinc/58/71/68/963587168.db2.gz NAAPHHWVYGOQRN-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CCO1 ZINC001168080112 963623487 /nfs/dbraw/zinc/62/34/87/963623487.db2.gz UIFVMLFRGGFRPH-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CCO1 ZINC001168080115 963623711 /nfs/dbraw/zinc/62/37/11/963623711.db2.gz UIFVMLFRGGFRPH-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)CC#N)C2 ZINC001256639546 1169828477 /nfs/dbraw/zinc/82/84/77/1169828477.db2.gz OXYHHUGYUDKMDY-AAEUAGOBSA-N 1 0 244.338 2.444 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)/C=C(\C)CC ZINC001157539677 963652765 /nfs/dbraw/zinc/65/27/65/963652765.db2.gz MWJVQPUXVNCDIK-CSKARUKUSA-N 1 0 244.766 2.191 20 30 BEEDRO C#CCC1([NH2+]C[C@H](CCC)OC)CCC1 ZINC000897350757 963670449 /nfs/dbraw/zinc/67/04/49/963670449.db2.gz LBCQUAHGORUASK-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C[C@@H]1C[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCO1 ZINC001168130134 963813422 /nfs/dbraw/zinc/81/34/22/963813422.db2.gz CPHBSOXJMSSRPE-XGFWRYKXSA-N 1 0 234.343 2.320 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@H](C#N)CC2)CCO1 ZINC001168131711 963819002 /nfs/dbraw/zinc/81/90/02/963819002.db2.gz QDRQDEKLLKFFBT-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001158611153 963893202 /nfs/dbraw/zinc/89/32/02/963893202.db2.gz QASORRWSCSIQLJ-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC001088520914 963895733 /nfs/dbraw/zinc/89/57/33/963895733.db2.gz NUUIUANMRGAUAP-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C/C(=N\O)c1ccc(NC2(C)CC[NH2+]CC2)cc1 ZINC001168188775 963948608 /nfs/dbraw/zinc/94/86/08/963948608.db2.gz AFGDPZOGHGNZPD-GZTJUZNOSA-N 1 0 247.342 2.439 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CCC1CC1 ZINC001159021626 963975010 /nfs/dbraw/zinc/97/50/10/963975010.db2.gz WENMPAYWUDJMFT-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[N@H+]1CC=C(CCNC(=O)CC2CC2)CC1 ZINC001159027864 963976695 /nfs/dbraw/zinc/97/66/95/963976695.db2.gz XQDWYEYKDYZHKV-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC1CCC1 ZINC001159032380 963979743 /nfs/dbraw/zinc/97/97/43/963979743.db2.gz COPPRYBGFSYQOW-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCC(=C)C ZINC001159032417 963980444 /nfs/dbraw/zinc/98/04/44/963980444.db2.gz DWABBHCAYKYCQI-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO Cc1cc(N[C@H]2C[NH2+]CC[C@H]2F)ccc1CC#N ZINC001168230573 964014008 /nfs/dbraw/zinc/01/40/08/964014008.db2.gz DTAYLNIHOCIURV-KGLIPLIRSA-N 1 0 247.317 2.173 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168242274 964042612 /nfs/dbraw/zinc/04/26/12/964042612.db2.gz XPAVVBWAQUFDJJ-KBPBESRZSA-N 1 0 244.338 2.444 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168242276 964044148 /nfs/dbraw/zinc/04/41/48/964044148.db2.gz XPAVVBWAQUFDJJ-UONOGXRCSA-N 1 0 244.338 2.444 20 30 BEEDRO N#CCc1ccc(Cl)cc1-n1cc(C[NH3+])cn1 ZINC001168260830 964085317 /nfs/dbraw/zinc/08/53/17/964085317.db2.gz BDVAWNUMDGRNGM-UHFFFAOYSA-N 1 0 246.701 2.050 20 30 BEEDRO N#Cc1cc(F)cc(NC2=C[NH2+]CCC2)c1 ZINC001159477562 964108956 /nfs/dbraw/zinc/10/89/56/964108956.db2.gz JLDACKPBYGBQLU-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO N#Cc1ccc(NC2=C[NH2+]CCC2)c(F)c1 ZINC001159510161 964122397 /nfs/dbraw/zinc/12/23/97/964122397.db2.gz AYEYNLNJHMWNKI-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO C#Cc1cc(NC2=CCC[NH2+]CC2)ccc1F ZINC001159585426 964126076 /nfs/dbraw/zinc/12/60/76/964126076.db2.gz VJEREEZZTURZRB-UHFFFAOYSA-N 1 0 230.286 2.486 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccc(C2(C#N)CCC2)cn1 ZINC001159773192 964190305 /nfs/dbraw/zinc/19/03/05/964190305.db2.gz XEEBORMCPOIOJT-LLVKDONJSA-N 1 0 244.342 2.176 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC(C)(C)C ZINC001482810815 964211806 /nfs/dbraw/zinc/21/18/06/964211806.db2.gz WBSYEGHYZZQMKS-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)CC(C)(C)C ZINC001482810507 964211896 /nfs/dbraw/zinc/21/18/96/964211896.db2.gz RZKQMJORESLHML-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001482861942 964221062 /nfs/dbraw/zinc/22/10/62/964221062.db2.gz JUKBBHZQVOPODP-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C1(C)CCCC1 ZINC001482859386 964222963 /nfs/dbraw/zinc/22/29/63/964222963.db2.gz JJZJHSRZWCDIRB-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)c1ccc(C#N)c(NCC(C)(C)[NH3+])n1 ZINC001160025158 964237507 /nfs/dbraw/zinc/23/75/07/964237507.db2.gz MYYDGMKORQEMFM-UHFFFAOYSA-N 1 0 232.331 2.226 20 30 BEEDRO Cc1cc(C#N)c(NC[C@H]2CCCC[NH2+]2)nc1C ZINC001160146021 964259086 /nfs/dbraw/zinc/25/90/86/964259086.db2.gz YHVWCQLNMSWRNH-CYBMUJFWSA-N 1 0 244.342 2.124 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)C(C)C ZINC001482982038 964277701 /nfs/dbraw/zinc/27/77/01/964277701.db2.gz WNBUNZGPLIIPKN-GWJCSSMESA-N 1 0 238.375 2.259 20 30 BEEDRO N#Cc1cccnc1-n1ccc2cccc(C[NH3+])c21 ZINC001160453042 964303077 /nfs/dbraw/zinc/30/30/77/964303077.db2.gz BYZZSYGQICKCGR-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO C=CCC[NH2+]C/C=C\CNC(=O)[C@]1(C)C=CCC1 ZINC001483045233 964379201 /nfs/dbraw/zinc/37/92/01/964379201.db2.gz FUXMEJKKIPQARU-ZPIQOJFGSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C(C)CN(CC)C(=O)c1cccc(C[NH3+])c1 ZINC001160690046 964391158 /nfs/dbraw/zinc/39/11/58/964391158.db2.gz XEXRUBUPSFDJSM-UHFFFAOYSA-N 1 0 232.327 2.184 20 30 BEEDRO C[NH+](C)C1CCC(N2CCCC[C@@H]2C#N)CC1 ZINC001168323767 964451859 /nfs/dbraw/zinc/45/18/59/964451859.db2.gz CHASOJABKOPOSF-JXQTWKCFSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1cc(CC)ncn1 ZINC001160957755 964454564 /nfs/dbraw/zinc/45/45/64/964454564.db2.gz ROIDUVCZHMORRD-ZDUSSCGKSA-N 1 0 246.358 2.101 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC12CC2 ZINC001483064130 964518075 /nfs/dbraw/zinc/51/80/75/964518075.db2.gz HGTPUEXLILZGFM-CFHLNLSMSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CCCOC1CN(Cc2ccccc2)C1 ZINC001224334953 964549097 /nfs/dbraw/zinc/54/90/97/964549097.db2.gz IXSUWLKPTNVPOJ-UHFFFAOYSA-N 1 0 217.312 2.464 20 30 BEEDRO CC(C)(S)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC001168359668 964550954 /nfs/dbraw/zinc/55/09/54/964550954.db2.gz FBDSAPDXKVAIIY-UHFFFAOYSA-N 1 0 242.432 2.159 20 30 BEEDRO CC#CCO[C@@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC001224358249 964572618 /nfs/dbraw/zinc/57/26/18/964572618.db2.gz FHZPYUQPLAXHPE-ZIAGYGMSSA-N 1 0 244.338 2.257 20 30 BEEDRO C[NH+](C)CCNc1cccc2[nH]c(C#N)cc21 ZINC001161668392 964674219 /nfs/dbraw/zinc/67/42/19/964674219.db2.gz IONCZMUVWOOLAY-UHFFFAOYSA-N 1 0 228.299 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C1CC(C)(C)C1 ZINC001483125147 964717657 /nfs/dbraw/zinc/71/76/57/964717657.db2.gz IXFMHIKCLNRMBM-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO CC#Cc1cncc(NCCCC[NH+](C)C)c1 ZINC001161730572 964718386 /nfs/dbraw/zinc/71/83/86/964718386.db2.gz KCRXSRPNNIIFFI-UHFFFAOYSA-N 1 0 231.343 2.207 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1 ZINC001256958981 1169847603 /nfs/dbraw/zinc/84/76/03/1169847603.db2.gz RSZVWLAYJHMVFB-UHFFFAOYSA-N 1 0 246.310 2.270 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[NH2+]C[C@H](F)CC ZINC001483157395 964789230 /nfs/dbraw/zinc/78/92/30/964789230.db2.gz KVBZWDSJSJVXEI-GHMZBOCLSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C/C(C)=C\CC(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001483156750 964791005 /nfs/dbraw/zinc/79/10/05/964791005.db2.gz SYMONRZXHDPUJS-FFXRNRBCSA-N 1 0 236.359 2.179 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C ZINC001483185793 964805308 /nfs/dbraw/zinc/80/53/08/964805308.db2.gz WMONYZZYOXVUEL-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1CC=CC1 ZINC001483217028 964861659 /nfs/dbraw/zinc/86/16/59/964861659.db2.gz LSEXJXARUPHNIJ-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCOCc1cccc(-n2cnc(C[NH3+])c2)c1 ZINC001162304862 964920711 /nfs/dbraw/zinc/92/07/11/964920711.db2.gz WHFHJHVDSZEXAS-UHFFFAOYSA-N 1 0 243.310 2.034 20 30 BEEDRO Cc1cc(C#N)cc(N[C@]2(C)CCC[N@@H+](C)C2)n1 ZINC001162339784 964938150 /nfs/dbraw/zinc/93/81/50/964938150.db2.gz MPVLOYNRLJUNSV-CQSZACIVSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C1CC(C)(C)C1 ZINC001483334926 964978627 /nfs/dbraw/zinc/97/86/27/964978627.db2.gz KJODWECCQGJVGW-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](F)CC ZINC001483373231 964993439 /nfs/dbraw/zinc/99/34/39/964993439.db2.gz YBHKLPITFVNYQY-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](F)CC ZINC001483373233 964995902 /nfs/dbraw/zinc/99/59/02/964995902.db2.gz YBHKLPITFVNYQY-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CC(N[C@@H]1CCCC[C@H]1F)=[NH+]COC ZINC001162505154 965004959 /nfs/dbraw/zinc/00/49/59/965004959.db2.gz DKNHULRWAQIYKO-NXEZZACHSA-N 1 0 214.284 2.045 20 30 BEEDRO N#CCc1cc(N[C@@H]2CCCC[C@H]2F)cc[nH+]1 ZINC001162513965 965008262 /nfs/dbraw/zinc/00/82/62/965008262.db2.gz JQNDYKFVZIOKOG-CHWSQXEVSA-N 1 0 233.290 2.262 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)C(C)(C)C)C1CC1 ZINC001483602761 965051969 /nfs/dbraw/zinc/05/19/69/965051969.db2.gz TYXDMXTZFBEXDL-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO CC1(CC[NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000698170185 965078237 /nfs/dbraw/zinc/07/82/37/965078237.db2.gz HHULCRDXJAACIL-CQSZACIVSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCC(F)F ZINC001162646225 965085443 /nfs/dbraw/zinc/08/54/43/965085443.db2.gz CFWQDHOXFTYIEV-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO N#C[C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168387827 965111970 /nfs/dbraw/zinc/11/19/70/965111970.db2.gz VVELWHUVRJBFET-CQSZACIVSA-N 1 0 247.386 2.096 20 30 BEEDRO Cc1cccc(N[C@@H]2CC[NH2+][C@@H]2C)c1C#N ZINC001162678176 965116613 /nfs/dbraw/zinc/11/66/13/965116613.db2.gz ZNEIKRDCMSBXRE-ZYHUDNBSSA-N 1 0 215.300 2.029 20 30 BEEDRO C=C(C)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724023350 1169860618 /nfs/dbraw/zinc/86/06/18/1169860618.db2.gz NYPVPINFVGBKCG-ZETCQYMHSA-N 1 0 247.207 2.101 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)CC1(C)CC1 ZINC001162762580 965158188 /nfs/dbraw/zinc/15/81/88/965158188.db2.gz ANQOWVOGTBLHKW-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO COC[C@H](C[NH+]1CCC(C#N)CC1)C(C)C ZINC000721734529 965248038 /nfs/dbraw/zinc/24/80/38/965248038.db2.gz PTWWXXOSAGLZLZ-ZDUSSCGKSA-N 1 0 224.348 2.141 20 30 BEEDRO C#Cc1cccc(CN(CC)CCC[NH+](C)C)c1 ZINC001231660567 965274736 /nfs/dbraw/zinc/27/47/36/965274736.db2.gz IEWXFXCLGPHJKY-UHFFFAOYSA-N 1 0 244.382 2.442 20 30 BEEDRO C=C(C)C[NH2+]CC1(CCNC(=O)CCC)CC1 ZINC001163162285 965277064 /nfs/dbraw/zinc/27/70/64/965277064.db2.gz OYHLBJRHUOYCMW-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C#C[C@H](C)Nc1cc(N2CCC[C@H](C)C2)ncn1 ZINC001163161682 965278290 /nfs/dbraw/zinc/27/82/90/965278290.db2.gz SXTHGIJLOSTNFT-RYUDHWBXSA-N 1 0 244.342 2.147 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)C=C(C)C)CC1 ZINC001163275649 965323632 /nfs/dbraw/zinc/32/36/32/965323632.db2.gz GTJIFUDLERJZRF-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)ncc1C#N ZINC001163426842 965400390 /nfs/dbraw/zinc/40/03/90/965400390.db2.gz FREDKRFNBHTFPB-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1C#N ZINC001232962320 965444346 /nfs/dbraw/zinc/44/43/46/965444346.db2.gz MJSZHBOGGJVOLS-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c(C#N)c1 ZINC001232963209 965445014 /nfs/dbraw/zinc/44/50/14/965445014.db2.gz ZNSFEHKHRWAURT-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO CCC(CC)[NH2+]CCNc1cc(C)c(C#N)cn1 ZINC001163635789 965491277 /nfs/dbraw/zinc/49/12/77/965491277.db2.gz KIVYPVCVJGNQKO-UHFFFAOYSA-N 1 0 246.358 2.452 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)C ZINC001272331227 965494797 /nfs/dbraw/zinc/49/47/97/965494797.db2.gz DMDZOEUVWAQLJU-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO N#CCCCCNc1cccc2c1C[NH2+]CC2 ZINC001168433947 965501089 /nfs/dbraw/zinc/50/10/89/965501089.db2.gz LLJIVHXYWOZLNJ-UHFFFAOYSA-N 1 0 229.327 2.438 20 30 BEEDRO CC(=O)C=C(C)Nc1ccc2c(c1)C[NH2+]C2 ZINC001163739631 965561835 /nfs/dbraw/zinc/56/18/35/965561835.db2.gz UJKYHZMTOQEHTC-UITAMQMPSA-N 1 0 216.284 2.195 20 30 BEEDRO CC(=O)C=C(C)Nc1cccc2c1C[NH2+]CC2 ZINC001163739092 965562191 /nfs/dbraw/zinc/56/21/91/965562191.db2.gz JSADICWRNMUPDN-NTMALXAHSA-N 1 0 230.311 2.237 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1cc(C#N)cc2[nH]ccc21 ZINC001163782853 965587598 /nfs/dbraw/zinc/58/75/98/965587598.db2.gz SESYNLSGCQJHES-JTQLQIEISA-N 1 0 242.326 2.402 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH2+]CCC ZINC001163873388 965612861 /nfs/dbraw/zinc/61/28/61/965612861.db2.gz IROHTAUFNAHLPC-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CCC(=C)C ZINC001163953509 965657992 /nfs/dbraw/zinc/65/79/92/965657992.db2.gz TYOVNMHVSRLOIG-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@@H+]2CC1CC1 ZINC001272481380 965669380 /nfs/dbraw/zinc/66/93/80/965669380.db2.gz BAZZUXQJJLFFKA-OAHLLOKOSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C(C)CN1CC[C@@]2(CCC[N@@H+]2CC2CC2)C1=O ZINC001272484256 965672112 /nfs/dbraw/zinc/67/21/12/965672112.db2.gz RCSHACKNLGREEO-HNNXBMFYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCc1cc(C)cnc1-n1nc(C[NH3+])cc1C ZINC001163979606 965674191 /nfs/dbraw/zinc/67/41/91/965674191.db2.gz FQTCPUSRSFCJBO-UHFFFAOYSA-N 1 0 242.326 2.071 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](NC(C)=O)CC(C)(C)C1 ZINC001089286071 965674223 /nfs/dbraw/zinc/67/42/23/965674223.db2.gz VGSJEAOXZUQTHU-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[C@H]1C ZINC001163985636 965678014 /nfs/dbraw/zinc/67/80/14/965678014.db2.gz QLPSTUHQUJYYJF-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCS ZINC001168455781 965758540 /nfs/dbraw/zinc/75/85/40/965758540.db2.gz XUIIQNJODOMBAP-VIFPVBQESA-N 1 0 213.321 2.276 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CCC1(C)C ZINC001164311063 965841062 /nfs/dbraw/zinc/84/10/62/965841062.db2.gz CHIJGTWHEAQTOM-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC[NH2+]CCCC ZINC001164360891 965860463 /nfs/dbraw/zinc/86/04/63/965860463.db2.gz WEEXPUNVSOPWEB-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO N#Cc1cccc(CN2CCC[C@@H]([NH3+])CC2)c1F ZINC001205130431 965932121 /nfs/dbraw/zinc/93/21/21/965932121.db2.gz DXXYKRZUTIOGDA-CYBMUJFWSA-N 1 0 247.317 2.011 20 30 BEEDRO C=C(C)CCC(=O)NCCC1(C[NH2+]CC)CC1 ZINC001165266130 966009820 /nfs/dbraw/zinc/00/98/20/966009820.db2.gz ROWGTVVJTNDYHS-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(CCC)CCC ZINC001165309953 966043431 /nfs/dbraw/zinc/04/34/31/966043431.db2.gz MYYBFHMYWVPYJZ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)c1cccs1 ZINC001272630920 966068490 /nfs/dbraw/zinc/06/84/90/966068490.db2.gz ZRUJQAUQRCPHJG-SNVBAGLBSA-N 1 0 238.356 2.032 20 30 BEEDRO N#CCc1ccccc1C[N@H+]1CCCC[C@H](O)C1 ZINC001235512694 966077284 /nfs/dbraw/zinc/07/72/84/966077284.db2.gz UBJFIQXYBQYADR-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]C/C=C/Cl ZINC001165531759 966121271 /nfs/dbraw/zinc/12/12/71/966121271.db2.gz XMHMIANCISZSKV-VMPITWQZSA-N 1 0 244.766 2.191 20 30 BEEDRO C=C(C[NH2+][C@@H]1COC[C@@H]1C)c1ccccc1 ZINC000699839972 966128073 /nfs/dbraw/zinc/12/80/73/966128073.db2.gz UDCAOVYKDVMHSX-GXTWGEPZSA-N 1 0 217.312 2.324 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C1(C)CCCCC1 ZINC001165760523 966152413 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/nfs/dbraw/zinc/23/63/20/966236320.db2.gz DIUCRVIHOPOCDF-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCOc1ccc(CN2CC(C)(C[NH3+])C2)cc1 ZINC001206712300 966264253 /nfs/dbraw/zinc/26/42/53/966264253.db2.gz ZPMPFNFHSLEDMS-UHFFFAOYSA-N 1 0 246.354 2.032 20 30 BEEDRO CCN(CCC#N)c1cc(N2CCCC2)cc[nH+]1 ZINC001166591131 966313125 /nfs/dbraw/zinc/31/31/25/966313125.db2.gz FMWVEIKHBWCYAR-UHFFFAOYSA-N 1 0 244.342 2.422 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236289832 966343333 /nfs/dbraw/zinc/34/33/33/966343333.db2.gz SMDLJRPVKGRDEI-CHWSQXEVSA-N 1 0 210.365 2.251 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)/C(C)=C/CC ZINC001272674114 966365675 /nfs/dbraw/zinc/36/56/75/966365675.db2.gz ZQRDYYIDFANLPE-WHGQRRHOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)/C(C)=C\CC ZINC001272674113 966365735 /nfs/dbraw/zinc/36/57/35/966365735.db2.gz ZQRDYYIDFANLPE-OTAKNEKHSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccco1 ZINC001483919376 966398215 /nfs/dbraw/zinc/39/82/15/966398215.db2.gz PPRZYLCPXMFRBB-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)CC)C1 ZINC001484079195 966426669 /nfs/dbraw/zinc/42/66/69/966426669.db2.gz CWPSEPFLCDNXJE-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH+]1CCC(C)(CNC(=O)CCC)CC1 ZINC001484129052 966431067 /nfs/dbraw/zinc/43/10/67/966431067.db2.gz HAYMTAXCDPHXSF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(C#N)c1 ZINC001236580493 966460577 /nfs/dbraw/zinc/46/05/77/966460577.db2.gz RKFRUHMWTBKLED-CHWSQXEVSA-N 1 0 243.354 2.049 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)/C=C(\C)C1CC1 ZINC001124224191 966462612 /nfs/dbraw/zinc/46/26/12/966462612.db2.gz NRMZXTMBCMWWQF-ZRDIBKRKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)CC(C)(C)CC ZINC001493565817 966500346 /nfs/dbraw/zinc/50/03/46/966500346.db2.gz QNXWEKZYRJDXRK-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC(=O)N1CCC(CC)([NH2+]CC)CC1 ZINC001484809973 966515981 /nfs/dbraw/zinc/51/59/81/966515981.db2.gz PBHFCPZDSZSZPP-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001167007544 966518508 /nfs/dbraw/zinc/51/85/08/966518508.db2.gz ZGLOFLAAVUPZOO-LLVKDONJSA-N 1 0 225.295 2.413 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CCC(F)F ZINC001484995939 966529331 /nfs/dbraw/zinc/52/93/31/966529331.db2.gz YSLYNHWRXDPXJQ-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@H](C)[NH2+]CCC ZINC001484999413 966530934 /nfs/dbraw/zinc/53/09/34/966530934.db2.gz HEQOUMBHAXESMF-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]CC1CC(NC(=O)/C(C)=C\C)C1 ZINC001485091100 966539317 /nfs/dbraw/zinc/53/93/17/966539317.db2.gz NSKVPJPJEOMIPW-WZUFQYTHSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C=C1CCC1 ZINC001485135532 966546442 /nfs/dbraw/zinc/54/64/42/966546442.db2.gz KBRUFHKTKKQLAF-NWDGAFQWSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC1CC1 ZINC001485129908 966547307 /nfs/dbraw/zinc/54/73/07/966547307.db2.gz NQINDUOTZRWHSQ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC(=C)C ZINC001485153163 966554063 /nfs/dbraw/zinc/55/40/63/966554063.db2.gz PQVJMQBRXRKNNM-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)c1cc[nH]c1 ZINC001485311397 966589108 /nfs/dbraw/zinc/58/91/08/966589108.db2.gz YFRCWAIEHRWLCU-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182329998 966635143 /nfs/dbraw/zinc/63/51/43/966635143.db2.gz UYRALWBTXZOLCF-VHSXEESVSA-N 1 0 248.164 2.442 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]CCCC(C)C ZINC001124640260 966670897 /nfs/dbraw/zinc/67/08/97/966670897.db2.gz AARIXIDMRAWDES-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC(=O)NCC[NH2+][C@H](C)CCC=C ZINC001124636853 966673069 /nfs/dbraw/zinc/67/30/69/966673069.db2.gz YGBKIDVORJLUMG-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)CCC=C ZINC001124640617 966673368 /nfs/dbraw/zinc/67/33/68/966673368.db2.gz LYNDXSFPDAWSFT-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C#CCN1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000183761125 966673471 /nfs/dbraw/zinc/67/34/71/966673471.db2.gz OUWPWOWADMPRES-MRXNPFEDSA-N 1 0 242.366 2.216 20 30 BEEDRO C[C@@H](CC#N)NCc1cccc(Cl)c1N ZINC001203521546 966674952 /nfs/dbraw/zinc/67/49/52/966674952.db2.gz HADYRLHEDYLUDR-QMMMGPOBSA-N 1 0 223.707 2.314 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CC(C)(C)C[C@H]2C)C1 ZINC001203666031 966720488 /nfs/dbraw/zinc/72/04/88/966720488.db2.gz WGIPTFCXQMLDJT-QLFBSQMISA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@@H]2C)C1 ZINC001203666030 966723524 /nfs/dbraw/zinc/72/35/24/966723524.db2.gz WGIPTFCXQMLDJT-KKUMJFAQSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001203665722 966733847 /nfs/dbraw/zinc/73/38/47/966733847.db2.gz QMXAKIDEFDELIL-CQSZACIVSA-N 1 0 222.376 2.110 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCC[C@@H]1O ZINC001203758002 966771352 /nfs/dbraw/zinc/77/13/52/966771352.db2.gz YKXZUKVARPQVAV-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC(C)=O)c(OC)c1 ZINC001203830697 966792247 /nfs/dbraw/zinc/79/22/47/966792247.db2.gz SCCOQQQMYHEQBJ-UHFFFAOYSA-N 1 0 249.310 2.238 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2ccc[nH]2)CC1 ZINC001204009425 966847454 /nfs/dbraw/zinc/84/74/54/966847454.db2.gz XTZMKWRRKRUUDZ-UHFFFAOYSA-N 1 0 203.289 2.140 20 30 BEEDRO CC1C[NH+](Cc2c[nH]c3cc(C#N)ccc23)C1 ZINC001142911955 966848052 /nfs/dbraw/zinc/84/80/52/966848052.db2.gz PPIXIWCCRJSDLD-UHFFFAOYSA-N 1 0 225.295 2.491 20 30 BEEDRO CCCCCCCOC(=O)N[C@]1(C)CC[NH2+]C1 ZINC001239317220 966850800 /nfs/dbraw/zinc/85/08/00/966850800.db2.gz UQRMPXIBXLMTSK-CYBMUJFWSA-N 1 0 242.363 2.435 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC001204127329 966896982 /nfs/dbraw/zinc/89/69/82/966896982.db2.gz DZPMPGFHLNZSKM-VHSXEESVSA-N 1 0 221.329 2.149 20 30 BEEDRO C=C(Cl)CN1[C@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000692557430 966903273 /nfs/dbraw/zinc/90/32/73/966903273.db2.gz QPZHFVGEXXBEHO-GDPRMGEGSA-N 1 0 216.756 2.187 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2C[C@H]2c2cnn(C)c2)CC1 ZINC001204181044 966917376 /nfs/dbraw/zinc/91/73/76/966917376.db2.gz ZXNVQJLEULNHCR-DZGCQCFKSA-N 1 0 245.370 2.422 20 30 BEEDRO C=CCOc1ccc(C[NH+]2CC3(COC3)C2)cc1 ZINC001204293868 966966753 /nfs/dbraw/zinc/96/67/53/966966753.db2.gz KSKBLBSAKGXRGY-UHFFFAOYSA-N 1 0 245.322 2.084 20 30 BEEDRO CO[C@H](C)C1CN(Cc2ccccc2C#N)C1 ZINC001204373410 966984309 /nfs/dbraw/zinc/98/43/09/966984309.db2.gz SKFUBWKCRGLDPA-LLVKDONJSA-N 1 0 230.311 2.025 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)CC[NH2+]CCC ZINC001272812499 967054179 /nfs/dbraw/zinc/05/41/79/967054179.db2.gz DTOVQMOFAFTJAQ-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2nccnc2C#N)cc1 ZINC001204606203 967103690 /nfs/dbraw/zinc/10/36/90/967103690.db2.gz JRCRPZAIWCCKML-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN(C)CC[NH2+]C)CC1 ZINC001204720729 967142390 /nfs/dbraw/zinc/14/23/90/967142390.db2.gz SRFKZIFSURHTLN-CQSZACIVSA-N 1 0 222.376 2.440 20 30 BEEDRO C=CC(N[C@@H]1CCNc2ccccc21)=[NH+]COC ZINC001168640768 967173620 /nfs/dbraw/zinc/17/36/20/967173620.db2.gz NRBZMAAMOBXEBK-CYBMUJFWSA-N 1 0 245.326 2.321 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C)ccc1NC ZINC001204900132 967221587 /nfs/dbraw/zinc/22/15/87/967221587.db2.gz VWBXZWVCCQQUCI-UHFFFAOYSA-N 1 0 216.328 2.492 20 30 BEEDRO CCCCCCCN1C[C@@H]([NH3+])C2(CC2)C1 ZINC001204904638 967226616 /nfs/dbraw/zinc/22/66/16/967226616.db2.gz UYJASKWEHBOFKA-GFCCVEGCSA-N 1 0 210.365 2.380 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](CO)C1CC1 ZINC000921743151 967242791 /nfs/dbraw/zinc/24/27/91/967242791.db2.gz KSRFXZRJEUHFCH-HNNXBMFYSA-N 1 0 244.338 2.036 20 30 BEEDRO Cc1cc(N)[nH+]cc1Cc1cccc(C#N)c1 ZINC001250049282 967309423 /nfs/dbraw/zinc/30/94/23/967309423.db2.gz WCKZRDBFBIQGFP-UHFFFAOYSA-N 1 0 223.279 2.435 20 30 BEEDRO Cc1cc(Cc2cccc(C#N)c2)c[nH+]c1N ZINC001250050911 967314056 /nfs/dbraw/zinc/31/40/56/967314056.db2.gz NQVHIOUNOZAUNS-UHFFFAOYSA-N 1 0 223.279 2.435 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(C#N)ccc1F ZINC001205068742 967324995 /nfs/dbraw/zinc/32/49/95/967324995.db2.gz OEASMJVVSRNEFW-GWCFXTLKSA-N 1 0 247.317 2.009 20 30 BEEDRO CC[NH+](CC)CCn1cc(CCCCC#N)cn1 ZINC001250065346 967328246 /nfs/dbraw/zinc/32/82/46/967328246.db2.gz BEWXHYLGBLCBEA-UHFFFAOYSA-N 1 0 248.374 2.461 20 30 BEEDRO Cc1ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])c(C#N)c1 ZINC001205082153 967333762 /nfs/dbraw/zinc/33/37/62/967333762.db2.gz AHHKIESFQJNFKF-WFASDCNBSA-N 1 0 243.354 2.178 20 30 BEEDRO CC#CCC[NH2+]Cc1c(C)noc1CC ZINC001205137031 967381817 /nfs/dbraw/zinc/38/18/17/967381817.db2.gz OHRKMNUIZHLWLD-UHFFFAOYSA-N 1 0 206.289 2.048 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)/C=C(/C)C2CC2)C1 ZINC001486456518 967392498 /nfs/dbraw/zinc/39/24/98/967392498.db2.gz POQMAXBAABPPEA-FLIBITNWSA-N 1 0 248.370 2.108 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168693025 967393802 /nfs/dbraw/zinc/39/38/02/967393802.db2.gz BSRXOVSXMNXYRZ-ONGXEEELSA-N 1 0 219.715 2.419 20 30 BEEDRO CC(C)CN[NH+]=C1CCN(C)c2ccccc21 ZINC001117132388 967444175 /nfs/dbraw/zinc/44/41/75/967444175.db2.gz IDQBJCUSMPXQDS-UHFFFAOYSA-N 1 0 231.343 2.476 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CC/C=C/CC ZINC001128409154 967543107 /nfs/dbraw/zinc/54/31/07/967543107.db2.gz VGPZVBCDJBAADP-AATRIKPKSA-N 1 0 238.375 2.405 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CCCN(CC)C1 ZINC001205551236 967686253 /nfs/dbraw/zinc/68/62/53/967686253.db2.gz OWKURDJOWINGSF-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C#Cc1cccnc1Nc1ccc2c[nH+]cn2c1 ZINC001250323965 967703620 /nfs/dbraw/zinc/70/36/20/967703620.db2.gz LHEDOHAZGCKAQM-UHFFFAOYSA-N 1 0 234.262 2.454 20 30 BEEDRO CC[N@@H+]1CC[C@H](OCc2ccccc2C#N)C1 ZINC001205580025 967704411 /nfs/dbraw/zinc/70/44/11/967704411.db2.gz TVQWXEPZIFLFLB-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO CC[N@@H+]1CC[C@@H](OCc2ccccc2C#N)C1 ZINC001205580026 967705351 /nfs/dbraw/zinc/70/53/51/967705351.db2.gz TVQWXEPZIFLFLB-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)c2ccco2)CC1 ZINC001005051791 967761986 /nfs/dbraw/zinc/76/19/86/967761986.db2.gz UIASUYZHNXWJLR-UHFFFAOYSA-N 1 0 248.326 2.002 20 30 BEEDRO CC[N@@H+]1CCC[C@H](OCCCCC#N)C1 ZINC001205672385 967765444 /nfs/dbraw/zinc/76/54/44/967765444.db2.gz JVYVCQNHOCPXMG-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)CC[C@H]1CN ZINC001205803503 967830881 /nfs/dbraw/zinc/83/08/81/967830881.db2.gz HGTGPRUTJMDKFQ-OLZOCXBDSA-N 1 0 210.365 2.402 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC)C1 ZINC001205756576 967813610 /nfs/dbraw/zinc/81/36/10/967813610.db2.gz HUZCUBBMGAQXFO-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#Cc1ccc(CN2C[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC001205831068 967842416 /nfs/dbraw/zinc/84/24/16/967842416.db2.gz WEZHZHNVCQESLI-BBRMVZONSA-N 1 0 242.366 2.227 20 30 BEEDRO C[C@H]1C[NH2+]CCC[C@H]1CNc1cccc(C#N)n1 ZINC001162456327 967843943 /nfs/dbraw/zinc/84/39/43/967843943.db2.gz HSQZOHBRPBISRJ-RYUDHWBXSA-N 1 0 244.342 2.001 20 30 BEEDRO C=CCc1cc(C)cnc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162476397 967844313 /nfs/dbraw/zinc/84/43/13/967844313.db2.gz YEWLRNJADWDTOI-STQMWFEESA-N 1 0 249.333 2.230 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc2nonc2c1 ZINC001205882974 967872331 /nfs/dbraw/zinc/87/23/31/967872331.db2.gz OOIBSZRUUUPDJG-UHFFFAOYSA-N 1 0 217.272 2.279 20 30 BEEDRO C=CCOCc1cccc(-n2nccc2C[NH3+])c1 ZINC001162597966 967874186 /nfs/dbraw/zinc/87/41/86/967874186.db2.gz XFGRAKWVGJQHGH-UHFFFAOYSA-N 1 0 243.310 2.034 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703898192 967882251 /nfs/dbraw/zinc/88/22/51/967882251.db2.gz AHTXADRJJNEYMP-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)F ZINC001168758850 967884446 /nfs/dbraw/zinc/88/44/46/967884446.db2.gz IBTSFIFBLZTKFH-NSHDSACASA-N 1 0 244.354 2.185 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(CCC#N)cc1 ZINC001162672612 967886443 /nfs/dbraw/zinc/88/64/43/967886443.db2.gz AGWCWNKKVYQOQR-BXUZGUMPSA-N 1 0 229.327 2.305 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1)C(C)(C)C ZINC001206076362 968041973 /nfs/dbraw/zinc/04/19/73/968041973.db2.gz CBECNSDPHXXYMA-IACUBPJLSA-N 1 0 245.370 2.161 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001494638014 968043783 /nfs/dbraw/zinc/04/37/83/968043783.db2.gz PEWRJMYEKJQNEI-XBFCOCLRSA-N 1 0 248.370 2.036 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cccc2[nH]c(C#N)cc21 ZINC001163776924 968118566 /nfs/dbraw/zinc/11/85/66/968118566.db2.gz OTESTLVJHAJTTH-SNVBAGLBSA-N 1 0 242.326 2.402 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cccc(CC#N)c1F ZINC001163776852 968121535 /nfs/dbraw/zinc/12/15/35/968121535.db2.gz MWFNCRGPFIMWJZ-SNVBAGLBSA-N 1 0 235.306 2.254 20 30 BEEDRO C#CCCc1nc2cc(C[NH+](C)C)ccc2[nH]1 ZINC001250606146 968153079 /nfs/dbraw/zinc/15/30/79/968153079.db2.gz BEMHLQLGVCYXRB-UHFFFAOYSA-N 1 0 227.311 2.190 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC)C1 ZINC001278585754 968158020 /nfs/dbraw/zinc/15/80/20/968158020.db2.gz NXDUOCLESJBOCM-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C[N@H+]1CC=C(c2ccc(F)c(C#N)c2)CC1 ZINC001250636525 968179821 /nfs/dbraw/zinc/17/98/21/968179821.db2.gz FAQKFEOMVUBNCG-UHFFFAOYSA-N 1 0 216.259 2.416 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1nc(CO)cs1 ZINC000723176974 968203072 /nfs/dbraw/zinc/20/30/72/968203072.db2.gz QNGHCGJUYCOFED-SNVBAGLBSA-N 1 0 240.372 2.470 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1ccn(C)n1 ZINC001206303825 968211323 /nfs/dbraw/zinc/21/13/23/968211323.db2.gz RSITYKOFKCESFZ-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]C[C@H](F)CC ZINC001165529631 968288299 /nfs/dbraw/zinc/28/82/99/968288299.db2.gz ADYLBZNCIGHNJG-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[N@H+](CC(C)C)C[C@H]1C ZINC001206509622 968343782 /nfs/dbraw/zinc/34/37/82/968343782.db2.gz QACBCBUQWVGAGT-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1ccc(Cl)nc1Nc1cc[nH+]c(N)c1 ZINC001206528910 968360203 /nfs/dbraw/zinc/36/02/03/968360203.db2.gz PNOXLHTVPKGKGR-UHFFFAOYSA-N 1 0 245.673 2.327 20 30 BEEDRO CCc1cc(Nc2ccnc(C#N)c2)cc[nH+]1 ZINC001206600990 968409889 /nfs/dbraw/zinc/40/98/89/968409889.db2.gz VZFXUKLUAPPHDA-UHFFFAOYSA-N 1 0 224.267 2.076 20 30 BEEDRO O[C@@H](C[NH+]1CCC(S)CC1)c1ccccc1 ZINC001251991257 968429001 /nfs/dbraw/zinc/42/90/01/968429001.db2.gz MGLWXJAXTJIZOQ-ZDUSSCGKSA-N 1 0 237.368 2.114 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001252003958 968431299 /nfs/dbraw/zinc/43/12/99/968431299.db2.gz XDGIDZYXKYYREF-VHDGCEQUSA-N 1 0 244.338 2.392 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001252003886 968431858 /nfs/dbraw/zinc/43/18/58/968431858.db2.gz XDGIDZYXKYYREF-BPLDGKMQSA-N 1 0 244.338 2.392 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2c(cccc2O)s1 ZINC001206753937 968455780 /nfs/dbraw/zinc/45/57/80/968455780.db2.gz UXKNJCWTJQDDPO-SECBINFHSA-N 1 0 249.335 2.243 20 30 BEEDRO C=CC[C@@H]([NH2+]C[C@H](O)COCC)c1ccccc1 ZINC001252052631 968463252 /nfs/dbraw/zinc/46/32/52/968463252.db2.gz SUEJLRJZKYNMFZ-LSDHHAIUSA-N 1 0 249.354 2.291 20 30 BEEDRO CCCC[C@H](O)C[N@H+](CCC)CCC#N ZINC001252087326 968508120 /nfs/dbraw/zinc/50/81/20/968508120.db2.gz ANDVUTFFFYUAJN-LBPRGKRZSA-N 1 0 212.337 2.163 20 30 BEEDRO C=CCCC(=O)N(CC)CC[NH2+]C/C=C/Cl ZINC001273292708 968567172 /nfs/dbraw/zinc/56/71/72/968567172.db2.gz BOZYKTDYHYTJTG-SOFGYWHQSA-N 1 0 244.766 2.143 20 30 BEEDRO COc1cc(CC[NH2+]C[C@@H](C)CCC#N)ccn1 ZINC001207059137 968590064 /nfs/dbraw/zinc/59/00/64/968590064.db2.gz UDEXLYKBEPLCBU-LBPRGKRZSA-N 1 0 247.342 2.162 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@@H](C)O ZINC001252120050 968606729 /nfs/dbraw/zinc/60/67/29/968606729.db2.gz MHOVTAAOFSNYQE-OLZOCXBDSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](C)CCO ZINC001252133305 968608604 /nfs/dbraw/zinc/60/86/04/968608604.db2.gz HYQDZBNDACAWDB-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@@H](O)C[N@H+](C)C1COC1 ZINC001252130633 968609821 /nfs/dbraw/zinc/60/98/21/968609821.db2.gz VKYBLBCOIXDFHG-CQSZACIVSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC001207081223 968614371 /nfs/dbraw/zinc/61/43/71/968614371.db2.gz FXUVCGSTGCGXTL-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO CCc1nccc(C[NH+]2CCC(CC#N)CC2)n1 ZINC001207086620 968618940 /nfs/dbraw/zinc/61/89/40/968618940.db2.gz QOTRRRDBCATYOZ-UHFFFAOYSA-N 1 0 244.342 2.165 20 30 BEEDRO N#Cc1cc2[nH]ccc2c(C2=CCC[NH2+]C2)c1 ZINC001240671486 968633108 /nfs/dbraw/zinc/63/31/08/968633108.db2.gz ZJRDGKIPYCEXNK-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC23CCCC3)cc1C#N ZINC001207103226 968634257 /nfs/dbraw/zinc/63/42/57/968634257.db2.gz POXANZXFTGRVTF-UHFFFAOYSA-N 1 0 229.327 2.415 20 30 BEEDRO Cn1cc(C[N@H+](C)C[C@H]2CC2(C)C)cc1C#N ZINC001207109758 968635439 /nfs/dbraw/zinc/63/54/39/968635439.db2.gz SOMVMMQPVRLUNS-GFCCVEGCSA-N 1 0 231.343 2.375 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)[C@H](C)CC ZINC001154788499 968665478 /nfs/dbraw/zinc/66/54/78/968665478.db2.gz CMVXUAYNJKARRD-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001207159524 968665697 /nfs/dbraw/zinc/66/56/97/968665697.db2.gz QVCIYTCHCVYTRM-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)c2ccoc2)C1 ZINC001207300236 968722218 /nfs/dbraw/zinc/72/22/18/968722218.db2.gz ZIOSXPSYKOIWTP-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](CC)C(CC)CC ZINC001252471357 968732554 /nfs/dbraw/zinc/73/25/54/968732554.db2.gz WSQJGPMOFXBAIK-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](CC)c1ccccc1 ZINC001252486525 968742407 /nfs/dbraw/zinc/74/24/07/968742407.db2.gz YZZQLHNLJDYZCW-LSDHHAIUSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]CCCCCCCC ZINC001252486852 968744186 /nfs/dbraw/zinc/74/41/86/968744186.db2.gz JGCYISWQZJEPOK-CQSZACIVSA-N 1 0 243.391 2.500 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]CCC1=CCCCC1 ZINC001252488828 968745496 /nfs/dbraw/zinc/74/54/96/968745496.db2.gz UIHMWNMEEYDDQP-CQSZACIVSA-N 1 0 239.359 2.030 20 30 BEEDRO C=C(C)c1cccc(CN2CC[C@H]([NH3+])C2)c1 ZINC001240836385 968746004 /nfs/dbraw/zinc/74/60/04/968746004.db2.gz HKJXPLZXXXAGBT-AWEZNQCLSA-N 1 0 216.328 2.253 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C1CCC(C)(C)CC1 ZINC001252493577 968749250 /nfs/dbraw/zinc/74/92/50/968749250.db2.gz QDOJGUNJZYRQAZ-CYBMUJFWSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001252541405 968775189 /nfs/dbraw/zinc/77/51/89/968775189.db2.gz KQMCLTDFLFSGNI-AWEZNQCLSA-N 1 0 230.311 2.195 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccccc1 ZINC001252541953 968776486 /nfs/dbraw/zinc/77/64/86/968776486.db2.gz XMXJSJLHPIVZKN-CYBMUJFWSA-N 1 0 205.301 2.055 20 30 BEEDRO COc1ccccc1CCN1CC[C@@](C)(C#N)C1 ZINC001207459854 968780134 /nfs/dbraw/zinc/78/01/34/968780134.db2.gz COGZJUZVSKQEGK-HNNXBMFYSA-N 1 0 244.338 2.473 20 30 BEEDRO C=C[C@@](C)(O)CNc1c[nH+]ccc1N1CCCC1 ZINC001252548013 968785843 /nfs/dbraw/zinc/78/58/43/968785843.db2.gz OGKSCIRYQLXPGI-CQSZACIVSA-N 1 0 247.342 2.031 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1cnc(Cl)s1 ZINC001252548328 968785901 /nfs/dbraw/zinc/78/59/01/968785901.db2.gz QRVHCCNBUITGCF-JTQLQIEISA-N 1 0 246.763 2.165 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@](C)(F)CC1 ZINC001252548248 968787238 /nfs/dbraw/zinc/78/72/38/968787238.db2.gz PBQCVUKWHPCZFT-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CCC2)CC1 ZINC001252549902 968788239 /nfs/dbraw/zinc/78/82/39/968788239.db2.gz KPCDIUHOTZESRL-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001252554213 968790457 /nfs/dbraw/zinc/79/04/57/968790457.db2.gz DDGJKVROMRDVFZ-KBPBESRZSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)Cc1ccccc1OC ZINC001252550677 968792576 /nfs/dbraw/zinc/79/25/76/968792576.db2.gz NPXAQXGPSKCXDA-AWEZNQCLSA-N 1 0 235.327 2.064 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccsc1 ZINC001252554623 968796253 /nfs/dbraw/zinc/79/62/53/968796253.db2.gz IRFGAKMZXRPAFC-LLVKDONJSA-N 1 0 211.330 2.117 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001252556835 968798971 /nfs/dbraw/zinc/79/89/71/968798971.db2.gz FJYREZINKLMUBK-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001252557714 968801298 /nfs/dbraw/zinc/80/12/98/968801298.db2.gz KCLYACPEEWPJDW-CABCVRRESA-N 1 0 246.354 2.464 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@@H]1c1ccccc1 ZINC001252560616 968807764 /nfs/dbraw/zinc/80/77/64/968807764.db2.gz UWVCWJVUDIAPLB-ZIAGYGMSSA-N 1 0 217.312 2.370 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+](C)[C@H]1CC[C@H](C)CC1 ZINC001252562342 968811609 /nfs/dbraw/zinc/81/16/09/968811609.db2.gz QCWKVZLJSLLNLT-JHJVBQTASA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC001252567856 968817789 /nfs/dbraw/zinc/81/77/89/968817789.db2.gz DOBQCYFMHZJLTD-BXUZGUMPSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccc2c(c1)C[N@H+](C)CC2 ZINC001252570233 968820408 /nfs/dbraw/zinc/82/04/08/968820408.db2.gz YVKZDFUDQWCTTH-OAHLLOKOSA-N 1 0 246.354 2.023 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179206 968820947 /nfs/dbraw/zinc/82/09/47/968820947.db2.gz LGHLIRUHLMQONJ-NWDGAFQWSA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1ccccc1OC ZINC001252571251 968821265 /nfs/dbraw/zinc/82/12/65/968821265.db2.gz GQEAFABGZZTYFA-RISCZKNCSA-N 1 0 235.327 2.283 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCO1 ZINC000829180614 968822153 /nfs/dbraw/zinc/82/21/53/968822153.db2.gz VZHDXYFBZJIKRV-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCO)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829178897 968822161 /nfs/dbraw/zinc/82/21/61/968822161.db2.gz JCXWENXNXORZIZ-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001252572565 968822232 /nfs/dbraw/zinc/82/22/32/968822232.db2.gz RTMVJWBBOAKKEK-AWEZNQCLSA-N 1 0 230.311 2.195 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccc(OC)cc1 ZINC001207585317 968822645 /nfs/dbraw/zinc/82/26/45/968822645.db2.gz RCOMSDYSGKDDRJ-UHFFFAOYSA-N 1 0 241.334 2.196 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829180066 968822778 /nfs/dbraw/zinc/82/27/78/968822778.db2.gz RHHWPBDGPUPPFC-NSHDSACASA-N 1 0 210.321 2.107 20 30 BEEDRO C[C@@H](CCO)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000829178900 968822854 /nfs/dbraw/zinc/82/28/54/968822854.db2.gz JCXWENXNXORZIZ-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2ccccc2)CC1 ZINC001252573185 968823161 /nfs/dbraw/zinc/82/31/61/968823161.db2.gz CISLXESRKYTPHR-CQSZACIVSA-N 1 0 231.339 2.288 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCN(C)c1ccccc1 ZINC001252573168 968823683 /nfs/dbraw/zinc/82/36/83/968823683.db2.gz ZXOGMZMUHIKLAU-HNNXBMFYSA-N 1 0 248.370 2.040 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1c(C)cc(F)cc1C ZINC001252574650 968825289 /nfs/dbraw/zinc/82/52/89/968825289.db2.gz OQJDYXCALDTECG-CQSZACIVSA-N 1 0 237.318 2.469 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1cccc(F)c1 ZINC001252574292 968825602 /nfs/dbraw/zinc/82/56/02/968825602.db2.gz NIPVVDJVKRJOFU-MFKMUULPSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC001252575541 968828783 /nfs/dbraw/zinc/82/87/83/968828783.db2.gz CJWGRTFCYVBHJH-MCIONIFRSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCOCc1ccccc1 ZINC001252577262 968829232 /nfs/dbraw/zinc/82/92/32/968829232.db2.gz XCPSIMVTHJLOSB-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](CF)c1ccccc1 ZINC001252577191 968829683 /nfs/dbraw/zinc/82/96/83/968829683.db2.gz WDOOLWBYAGQVSP-OLZOCXBDSA-N 1 0 223.291 2.224 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2cccc(OC)c2)CC1 ZINC001252580550 968832843 /nfs/dbraw/zinc/83/28/43/968832843.db2.gz RZGPURXHHFKWEA-CQSZACIVSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001252579994 968833808 /nfs/dbraw/zinc/83/38/08/968833808.db2.gz ZXWLHWRVPRZFKW-SWLSCSKDSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2cc(F)ccc21 ZINC001252581767 968834852 /nfs/dbraw/zinc/83/48/52/968834852.db2.gz JJPAUMIWJZOIEH-KBPBESRZSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)CC(F)(F)F ZINC001252583695 968837168 /nfs/dbraw/zinc/83/71/68/968837168.db2.gz QGAIHZABBIVAGV-SNVBAGLBSA-N 1 0 239.281 2.492 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC001252583899 968837383 /nfs/dbraw/zinc/83/73/83/968837383.db2.gz VNEACZPDAQRQHL-NSHDSACASA-N 1 0 233.302 2.481 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC001252583729 968837662 /nfs/dbraw/zinc/83/76/62/968837662.db2.gz QZXPRPLUYJYMIY-CJNGLKHVSA-N 1 0 245.366 2.318 20 30 BEEDRO Cc1cc(C#N)c(N[C@@H]2CCC[C@H]([NH3+])C2)nc1C ZINC001154986882 968839878 /nfs/dbraw/zinc/83/98/78/968839878.db2.gz VCSTUOVMFQOMHY-QWHCGFSZSA-N 1 0 244.342 2.252 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207627518 968840448 /nfs/dbraw/zinc/84/04/48/968840448.db2.gz AFPSNHUHNBSGTH-DGAVXFQQSA-N 1 0 216.328 2.434 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(Cl)s1 ZINC001252586053 968841021 /nfs/dbraw/zinc/84/10/21/968841021.db2.gz XAHJIHJXJLDTBW-NSHDSACASA-N 1 0 245.775 2.471 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)CC1CC(F)(F)C1 ZINC001252602609 968858600 /nfs/dbraw/zinc/85/86/00/968858600.db2.gz CVGQKXSMKKMHHR-NSHDSACASA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001252603355 968861037 /nfs/dbraw/zinc/86/10/37/968861037.db2.gz UDQJZRMFWHJJFB-YIYPIFLZSA-N 1 0 234.343 2.080 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCc2ncc(C)cc2C1 ZINC001252604672 968862854 /nfs/dbraw/zinc/86/28/54/968862854.db2.gz WUZBRORNNKOWIZ-CQSZACIVSA-N 1 0 246.354 2.075 20 30 BEEDRO C=CCC[C@H](O)CNc1cccc(C[NH+](C)C)c1 ZINC001252605017 968863091 /nfs/dbraw/zinc/86/30/91/968863091.db2.gz FUFLEDJGDDECJN-HNNXBMFYSA-N 1 0 248.370 2.487 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000739916512 968865912 /nfs/dbraw/zinc/86/59/12/968865912.db2.gz YZRBDNGYUZPNJW-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001207730168 968869058 /nfs/dbraw/zinc/86/90/58/968869058.db2.gz UFNGMXFWKVCRJU-BFHYXJOUSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cn1 ZINC001252615063 968872695 /nfs/dbraw/zinc/87/26/95/968872695.db2.gz ULOQDEFTJVPEKR-JQWIXIFHSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CC[C@H](C)CC1 ZINC001252618651 968878143 /nfs/dbraw/zinc/87/81/43/968878143.db2.gz ZUGKMSQSHRDGRY-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC001252618061 968878150 /nfs/dbraw/zinc/87/81/50/968878150.db2.gz OORYMCRHZDVTAM-SOUVJXGZSA-N 1 0 231.339 2.459 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC001252619186 968879942 /nfs/dbraw/zinc/87/99/42/968879942.db2.gz BTJSOOCFLJKCKU-UKRRQHHQSA-N 1 0 247.338 2.296 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001252618751 968880291 /nfs/dbraw/zinc/88/02/91/968880291.db2.gz FFTPSXCZZRVBLM-WFASDCNBSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001207783257 968880447 /nfs/dbraw/zinc/88/04/47/968880447.db2.gz XWJHKVDOAUATRI-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC001252618750 968881018 /nfs/dbraw/zinc/88/10/18/968881018.db2.gz FFTPSXCZZRVBLM-SWLSCSKDSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1noc2ccccc21 ZINC001252618883 968881090 /nfs/dbraw/zinc/88/10/90/968881090.db2.gz HWRPWUFUJNOIOJ-LLVKDONJSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)c1ccccn1 ZINC001252621135 968883211 /nfs/dbraw/zinc/88/32/11/968883211.db2.gz XCHBTXBHTWKWJG-GFCCVEGCSA-N 1 0 234.343 2.233 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc2ncoc21 ZINC001252621206 968883271 /nfs/dbraw/zinc/88/32/71/968883271.db2.gz YXJNBQPLGJLYDA-LBPRGKRZSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC001252621137 968883380 /nfs/dbraw/zinc/88/33/80/968883380.db2.gz XCNHNQJNTRBHRA-HNNXBMFYSA-N 1 0 248.370 2.169 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1CC(C)(C)C1 ZINC001252624396 968886394 /nfs/dbraw/zinc/88/63/94/968886394.db2.gz DVZMFFRZZDKORC-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@H]([NH2+]C[C@@H](O)COC(C)C)c1ccccc1 ZINC001252700528 968920144 /nfs/dbraw/zinc/92/01/44/968920144.db2.gz QLGYOFDGTYUSQQ-HUUCEWRRSA-N 1 0 249.354 2.289 20 30 BEEDRO C[NH+]1CCC(C)(CN2CCCC[C@@H]2C#N)CC1 ZINC001208113296 969007285 /nfs/dbraw/zinc/00/72/85/969007285.db2.gz HGWOVVIHJQRFIR-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)COC ZINC001253228348 969117753 /nfs/dbraw/zinc/11/77/53/969117753.db2.gz SQVJESPPJCDYOI-UONOGXRCSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CC(C)=O ZINC001253250078 969124497 /nfs/dbraw/zinc/12/44/97/969124497.db2.gz UINORQLAOMUHSV-ZDUSSCGKSA-N 1 0 227.348 2.053 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)C2(C)CC=CC2)CC1 ZINC001323530357 1169934053 /nfs/dbraw/zinc/93/40/53/1169934053.db2.gz LFBGOIYUFACGCX-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C#CC[N@@H+](C)CC1(c2ccccc2)CCOCC1 ZINC001208235248 969130427 /nfs/dbraw/zinc/13/04/27/969130427.db2.gz AAEMCSJHMGCDLF-UHFFFAOYSA-N 1 0 243.350 2.300 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC001208392979 969137803 /nfs/dbraw/zinc/13/78/03/969137803.db2.gz HRAACVNWPCUTAY-FRRDWIJNSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000166353002 969142400 /nfs/dbraw/zinc/14/24/00/969142400.db2.gz KOHAWNPAUKJRTA-RNCFNFMXSA-N 1 0 219.715 2.419 20 30 BEEDRO C=C(C)C[N@H+](CC)CC1CCN(C(C)=O)CC1 ZINC001208675673 969188390 /nfs/dbraw/zinc/18/83/90/969188390.db2.gz QEKXLFXQDMKHIT-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)CCCCC)C1 ZINC001253535137 969208132 /nfs/dbraw/zinc/20/81/32/969208132.db2.gz HUMOAWJYWJVBCL-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO CCCCC[C@@H](O)C[NH+]1CCC(S)CC1 ZINC001253535013 969208576 /nfs/dbraw/zinc/20/85/76/969208576.db2.gz HLICDXZIUVPSCY-LLVKDONJSA-N 1 0 231.405 2.322 20 30 BEEDRO C[NH+]1CCC(=Nc2nc(Cl)ccc2C#N)CC1 ZINC001208741031 969227562 /nfs/dbraw/zinc/22/75/62/969227562.db2.gz BNSMUOGCECCXMS-UHFFFAOYSA-N 1 0 248.717 2.238 20 30 BEEDRO C=C[C@H](O)CNc1ccc2c[nH+]ccc2c1 ZINC001253566331 969237824 /nfs/dbraw/zinc/23/78/24/969237824.db2.gz XKTBNZKQTBCMBC-ZDUSSCGKSA-N 1 0 214.268 2.194 20 30 BEEDRO C[NH+]1CCC(=Nc2c(F)cc(C#N)cc2F)CC1 ZINC001208844608 969253414 /nfs/dbraw/zinc/25/34/14/969253414.db2.gz RPQZUYBHUYCXSW-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO COc1cc(C#N)ccc1NC1=CC[N@H+](C)CC1 ZINC001208844629 969254065 /nfs/dbraw/zinc/25/40/65/969254065.db2.gz SCFWEAKFIPOEFD-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1ccccc1Cl ZINC001253580976 969256983 /nfs/dbraw/zinc/25/69/83/969256983.db2.gz FUWYSJLFPBGOCY-NSHDSACASA-N 1 0 225.719 2.319 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001253580952 969257882 /nfs/dbraw/zinc/25/78/82/969257882.db2.gz BCRLIHUGNAIYEZ-OCCSQVGLSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1c(F)ccc(C)c1Cl ZINC001253598771 969290098 /nfs/dbraw/zinc/29/00/98/969290098.db2.gz XWPMDOSVEOSCAE-SECBINFHSA-N 1 0 243.709 2.424 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC001253600477 969292862 /nfs/dbraw/zinc/29/28/62/969292862.db2.gz YXMISNQSMURULF-GFCCVEGCSA-N 1 0 205.301 2.058 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(CCC)cc1 ZINC001253600494 969293051 /nfs/dbraw/zinc/29/30/51/969293051.db2.gz BFZMYRHSXUFGIX-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(C)cc(F)cc1C ZINC001253601037 969293184 /nfs/dbraw/zinc/29/31/84/969293184.db2.gz JZBRSHOUFGPWJR-LBPRGKRZSA-N 1 0 223.291 2.079 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(C)c(Cl)c1 ZINC001253600969 969294205 /nfs/dbraw/zinc/29/42/05/969294205.db2.gz ISZJRZMMWLPBPE-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO C[C@@H](CN1CC[C@H](C#N)C1)C(F)(F)F ZINC001208905338 969295360 /nfs/dbraw/zinc/29/53/60/969295360.db2.gz NOCHKKTVKOUYCE-JGVFFNPUSA-N 1 0 206.211 2.030 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)c(F)c(C#N)c2)CC1 ZINC001208910405 969296036 /nfs/dbraw/zinc/29/60/36/969296036.db2.gz OMYNCKALYRFNKZ-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2cccc(Cl)c2)CC1 ZINC001253602133 969297246 /nfs/dbraw/zinc/29/72/46/969297246.db2.gz CTFMZFBFOYIIQT-LBPRGKRZSA-N 1 0 237.730 2.466 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1cccc(C#N)c1)C(C)C ZINC001253605385 969302304 /nfs/dbraw/zinc/30/23/04/969302304.db2.gz RWEKWJOGCXHQSM-LSDHHAIUSA-N 1 0 244.338 2.392 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1cccc(F)c1F ZINC001253605883 969303067 /nfs/dbraw/zinc/30/30/67/969303067.db2.gz AGNPNFTZTNPTAW-BDAKNGLRSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(C2CC2)c1 ZINC001253605984 969303074 /nfs/dbraw/zinc/30/30/74/969303074.db2.gz BUWSRXGTGAPVRY-AWEZNQCLSA-N 1 0 217.312 2.201 20 30 BEEDRO C[C@H]1CC[N@@H+]1CCc1ccc(C#N)cc1 ZINC001208920801 969304574 /nfs/dbraw/zinc/30/45/74/969304574.db2.gz PFBGBGQWYMCXMP-NSHDSACASA-N 1 0 200.285 2.195 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001253607269 969304799 /nfs/dbraw/zinc/30/47/99/969304799.db2.gz TZHWXPJMHXTXTL-CQSZACIVSA-N 1 0 249.329 2.285 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(OC)cc1 ZINC001253607329 969305448 /nfs/dbraw/zinc/30/54/48/969305448.db2.gz UYWVJJOILYOQDL-CYBMUJFWSA-N 1 0 249.354 2.153 20 30 BEEDRO C[N@H+]1CC=C(Nc2c(F)cc(F)cc2C#N)CC1 ZINC001208929491 969308614 /nfs/dbraw/zinc/30/86/14/969308614.db2.gz BNUUBXJUDBQLAB-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@@H]2C[C@H]([C@@H]1C)C2(C)C ZINC001253610046 969309806 /nfs/dbraw/zinc/30/98/06/969309806.db2.gz PPUAZDHKJKITOD-JZRPKSSGSA-N 1 0 223.360 2.194 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C[C@H]1CCCc2ccccc21 ZINC001253610332 969309859 /nfs/dbraw/zinc/30/98/59/969309859.db2.gz DDNLHTBELLZOPB-ZIAGYGMSSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001253609846 969311579 /nfs/dbraw/zinc/31/15/79/969311579.db2.gz ZFUPGNUPGAAYMC-LBPRGKRZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC[C@H](C)CC ZINC001168962438 969312301 /nfs/dbraw/zinc/31/23/01/969312301.db2.gz OKPMTNFMFXAYCN-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C[N@H+]1CC=C(Nc2c(F)ccc(F)c2C#N)CC1 ZINC001208978993 969315708 /nfs/dbraw/zinc/31/57/08/969315708.db2.gz FZSVSVZQRIUNMY-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=CCN(CC[N@H+](CC)C1CC1)C(=O)OCC ZINC001209017420 969318936 /nfs/dbraw/zinc/31/89/36/969318936.db2.gz OLCHYFDURCKTOB-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CC[C@@H](C)CC ZINC001168975330 969323245 /nfs/dbraw/zinc/32/32/45/969323245.db2.gz VNMZIVKQSRIIQI-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO COCOCCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC001209027206 969324033 /nfs/dbraw/zinc/32/40/33/969324033.db2.gz TWBIZMDDQXKJFO-UHFFFAOYSA-N 1 0 248.326 2.001 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040394 969356697 /nfs/dbraw/zinc/35/66/97/969356697.db2.gz ZPOWCFFDOGFEEQ-NEPJUHHUSA-N 1 0 226.320 2.330 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001253741668 969361686 /nfs/dbraw/zinc/36/16/86/969361686.db2.gz DNNMGKWVYWYHQC-TUAOUCFPSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCN1CC([NH+]2CCCCC2)C1 ZINC001209162566 969362769 /nfs/dbraw/zinc/36/27/69/969362769.db2.gz IZDVXYPOWXZSEI-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCCC[N@H+]1CC[C@]2(C1)CC(F)(F)CO2 ZINC001209162765 969363050 /nfs/dbraw/zinc/36/30/50/969363050.db2.gz LRTQHGZMUIWCCN-LLVKDONJSA-N 1 0 231.286 2.453 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](Oc2nccnc2C)C1 ZINC001209164114 969364188 /nfs/dbraw/zinc/36/41/88/969364188.db2.gz SWAXHARGGQVHFV-ZDUSSCGKSA-N 1 0 247.342 2.204 20 30 BEEDRO C=CCCC[N@H+]1CCN(CC)CC1(C)C ZINC001209164837 969365562 /nfs/dbraw/zinc/36/55/62/969365562.db2.gz JHQRUBWNJRGVQR-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCN1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209162736 969366050 /nfs/dbraw/zinc/36/60/50/969366050.db2.gz ZIFBZGFSUNGARP-UHFFFAOYSA-N 1 0 234.387 2.370 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H]2CCCC(=O)[C@H]2C1 ZINC001209165725 969368597 /nfs/dbraw/zinc/36/85/97/969368597.db2.gz URNPXQFMXMSCMU-RYUDHWBXSA-N 1 0 207.317 2.254 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C(=O)OC)CC1 ZINC001209165727 969368693 /nfs/dbraw/zinc/36/86/93/969368693.db2.gz UTKGWBDDUIPASZ-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001209200511 969385044 /nfs/dbraw/zinc/38/50/44/969385044.db2.gz JECKFZRBCMTYSQ-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@@H+]1CCCC2(COC2)C1 ZINC001209200130 969385634 /nfs/dbraw/zinc/38/56/34/969385634.db2.gz HGKUQMZWDUCCKX-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001209201597 969390489 /nfs/dbraw/zinc/39/04/89/969390489.db2.gz OMGYEMIXCAARCF-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@@H+](C)C1CCN(C(C)=O)CC1 ZINC001209204241 969393213 /nfs/dbraw/zinc/39/32/13/969393213.db2.gz ANOYSFAVFWGZOD-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CCCCN1CC[NH+](CC2CCCC2)CC1 ZINC001209266419 969417916 /nfs/dbraw/zinc/41/79/16/969417916.db2.gz YXGBMUMTHMLJDB-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C#CCCC[N@@H+](CCCCCO)C(C)C ZINC001209267966 969418680 /nfs/dbraw/zinc/41/86/80/969418680.db2.gz OLLMNYQTLKTLRK-UHFFFAOYSA-N 1 0 211.349 2.273 20 30 BEEDRO SC1CC[NH+](CCOc2ccccc2)CC1 ZINC001209299159 969430266 /nfs/dbraw/zinc/43/02/66/969430266.db2.gz ZLUHMVCQDADYRM-UHFFFAOYSA-N 1 0 237.368 2.460 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)c1ccc[nH]1 ZINC001169107737 969445259 /nfs/dbraw/zinc/44/52/59/969445259.db2.gz IKPBKORXABIYLT-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001169107736 969450194 /nfs/dbraw/zinc/45/01/94/969450194.db2.gz IKPBKORXABIYLT-GFCCVEGCSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCCCCC[NH+](CCOC)CCOC ZINC001209423269 969492839 /nfs/dbraw/zinc/49/28/39/969492839.db2.gz LDTRAXIJMBPXDQ-UHFFFAOYSA-N 1 0 229.364 2.328 20 30 BEEDRO C=CCCCCCC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC001209431006 969500630 /nfs/dbraw/zinc/50/06/30/969500630.db2.gz GQVNYYPEAZBNSN-OKILXGFUSA-N 1 0 241.375 2.469 20 30 BEEDRO CCN1CCC([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CC1 ZINC001169263859 969518799 /nfs/dbraw/zinc/51/87/99/969518799.db2.gz BXAWKCKWRUFHKZ-XMQYKBBCSA-N 1 0 247.386 2.237 20 30 BEEDRO CCCCCCCc1cn([C@H](C)C[NH3+])nn1 ZINC001254159694 969529871 /nfs/dbraw/zinc/52/98/71/969529871.db2.gz CZUDBDZVXBIJFA-LLVKDONJSA-N 1 0 224.352 2.311 20 30 BEEDRO CCCCCCCc1cn(C[C@H](C)[NH3+])nn1 ZINC001254162468 969530322 /nfs/dbraw/zinc/53/03/22/969530322.db2.gz BMDKVXHKTVDCQX-NSHDSACASA-N 1 0 224.352 2.138 20 30 BEEDRO C=CCN(CC=C)C1CC[NH+](CC)CC1 ZINC001169258140 969543654 /nfs/dbraw/zinc/54/36/54/969543654.db2.gz CVKZVCFMFAKQHX-UHFFFAOYSA-N 1 0 208.349 2.145 20 30 BEEDRO CCCN(CCC#N)C1CC[NH+](CC)CC1 ZINC001169258749 969544537 /nfs/dbraw/zinc/54/45/37/969544537.db2.gz PWFNLTCKKWUIDA-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO N#Cc1cccc2c1CC[C@H]2[NH2+][C@H]1CCCOC1 ZINC001254365152 969577783 /nfs/dbraw/zinc/57/77/83/969577783.db2.gz BAHLKSSKMFMCBH-SWLSCSKDSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CC[N@H+](Cc1cnccc1N)C(C)(C)C ZINC001209733550 969593304 /nfs/dbraw/zinc/59/33/04/969593304.db2.gz ZXVYOBXJBIYHFC-UHFFFAOYSA-N 1 0 219.332 2.281 20 30 BEEDRO N#CCC[N@H+](C1CCCC1)[C@@H]1CCCOC1 ZINC001254383479 969600122 /nfs/dbraw/zinc/60/01/22/969600122.db2.gz FXYJYUBOISUVLR-CYBMUJFWSA-N 1 0 222.332 2.324 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001169386053 969619426 /nfs/dbraw/zinc/61/94/26/969619426.db2.gz MGFYLUIXBXPJAR-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[N@@H+](C1CCN(C(C)=O)CC1)C(C)(C)C ZINC001254431440 969619847 /nfs/dbraw/zinc/61/98/47/969619847.db2.gz PHLGIXUWFNGZKT-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001169400912 969628000 /nfs/dbraw/zinc/62/80/00/969628000.db2.gz OISPBRUWKYDVRO-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NCC#Cc2ccccc2)CC1 ZINC001254506865 969673001 /nfs/dbraw/zinc/67/30/01/969673001.db2.gz BTHBCGCDMDHUHH-MRXNPFEDSA-N 1 0 242.366 2.112 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001209876094 969678195 /nfs/dbraw/zinc/67/81/95/969678195.db2.gz WPXNXKUKSXUHTN-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NCc2ccc(C#N)s2)CC1 ZINC001254507877 969683199 /nfs/dbraw/zinc/68/31/99/969683199.db2.gz OIMOBDBIFQAIBI-LLVKDONJSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540467 969738047 /nfs/dbraw/zinc/73/80/47/969738047.db2.gz TZFILLFSDGODPF-SNVBAGLBSA-N 1 0 220.272 2.301 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCC(C)(C)C#N)C1 ZINC001254565010 969741178 /nfs/dbraw/zinc/74/11/78/969741178.db2.gz JDJNDQLOZQURQT-GFCCVEGCSA-N 1 0 222.332 2.203 20 30 BEEDRO C#CCC[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254615996 969747483 /nfs/dbraw/zinc/74/74/83/969747483.db2.gz HWNJBMDGXKMOTP-UHFFFAOYSA-N 1 0 246.329 2.407 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254634271 969749936 /nfs/dbraw/zinc/74/99/36/969749936.db2.gz ARIBWZFQISAUBA-QWRGUYRKSA-N 1 0 238.331 2.000 20 30 BEEDRO CCCN(CCC)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254636249 969753097 /nfs/dbraw/zinc/75/30/97/969753097.db2.gz IXDVFPVCDSQYLU-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO CCCN(CCC)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC001254636188 969753511 /nfs/dbraw/zinc/75/35/11/969753511.db2.gz IXDVFPVCDSQYLU-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001254635933 969753643 /nfs/dbraw/zinc/75/36/43/969753643.db2.gz UMFBBDCRSWXCTN-VXGBXAGGSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001254636070 969753855 /nfs/dbraw/zinc/75/38/55/969753855.db2.gz HSBPMQYXIJMBKA-UWVGGRQHSA-N 1 0 233.290 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H](Nc2cccc(F)c2C[NH3+])C1 ZINC001254636064 969754370 /nfs/dbraw/zinc/75/43/70/969754370.db2.gz HSBPMQYXIJMBKA-NXEZZACHSA-N 1 0 233.290 2.389 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(=O)[nH]1 ZINC001254635492 969754737 /nfs/dbraw/zinc/75/47/37/969754737.db2.gz QRVLVBKAZLSBTG-VXGBXAGGSA-N 1 0 245.326 2.186 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC001254641728 969756211 /nfs/dbraw/zinc/75/62/11/969756211.db2.gz AKNBZMAEYMRJMZ-HUUCEWRRSA-N 1 0 224.307 2.320 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)ccc1F ZINC001254644763 969757493 /nfs/dbraw/zinc/75/74/93/969757493.db2.gz XGAGXVHUQBWIDF-GWCFXTLKSA-N 1 0 243.285 2.479 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC(=O)Cc2ccccc2)C1 ZINC001254644002 969758320 /nfs/dbraw/zinc/75/83/20/969758320.db2.gz PFPVRCYNFPMQIB-KBPBESRZSA-N 1 0 242.322 2.080 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)ccc1F ZINC001254644765 969758518 /nfs/dbraw/zinc/75/85/18/969758518.db2.gz XGAGXVHUQBWIDF-MFKMUULPSA-N 1 0 243.285 2.479 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)/C(C)=C/C ZINC001156342324 969758737 /nfs/dbraw/zinc/75/87/37/969758737.db2.gz ABCNWGOMJYVNEK-XEVNVYFWSA-N 1 0 238.375 2.403 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001254647515 969761320 /nfs/dbraw/zinc/76/13/20/969761320.db2.gz GZSKIJVPKDKRDD-NWDGAFQWSA-N 1 0 244.342 2.390 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC001254652471 969763502 /nfs/dbraw/zinc/76/35/02/969763502.db2.gz FDASKFCASZGJMU-NDBYEHHHSA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC001254652470 969763927 /nfs/dbraw/zinc/76/39/27/969763927.db2.gz FDASKFCASZGJMU-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001254654388 969764795 /nfs/dbraw/zinc/76/47/95/969764795.db2.gz UNURFHJTDAHXJD-YPMHNXCESA-N 1 0 240.310 2.116 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254660217 969770584 /nfs/dbraw/zinc/77/05/84/969770584.db2.gz GRZRWHVFCMYNGM-MCIONIFRSA-N 1 0 236.359 2.163 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cnccn2)C1 ZINC001254667241 969774827 /nfs/dbraw/zinc/77/48/27/969774827.db2.gz BMEJUEMXAQOUNA-BZPMIXESSA-N 1 0 242.326 2.306 20 30 BEEDRO CCN(CC[NH+]1CCCCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254670654 969778061 /nfs/dbraw/zinc/77/80/61/969778061.db2.gz KLBUBYZTTWEPML-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO CN1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)C2(CCCC2)C1 ZINC001254674650 969780066 /nfs/dbraw/zinc/78/00/66/969780066.db2.gz BFUIEVNQRCFXFQ-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(C)[N@H+]([C@@H]1CC[C@@H](C#N)C1)C1CCN(C)CC1 ZINC001254676033 969781508 /nfs/dbraw/zinc/78/15/08/969781508.db2.gz IGGUIHSKYXXGQB-UKRRQHHQSA-N 1 0 249.402 2.483 20 30 BEEDRO N#C[C@H]1CC[C@@H](N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC001254674229 969781651 /nfs/dbraw/zinc/78/16/51/969781651.db2.gz VUSOMZDCNQFRKI-RRFJBIMHSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C#N)C1 ZINC001254673886 969781856 /nfs/dbraw/zinc/78/18/56/969781856.db2.gz QNJGUSPHSBBYFJ-AVGNSLFASA-N 1 0 220.316 2.122 20 30 BEEDRO CO[C@@H]1CC[N@H+]([C@H]2CC[C@@H](C#N)C2)[C@H](C)C1 ZINC001254678469 969785917 /nfs/dbraw/zinc/78/59/17/969785917.db2.gz FCXBRNOZOHXUCR-FVCCEPFGSA-N 1 0 222.332 2.178 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CC2CCN(CC2)C1 ZINC001254847477 969804601 /nfs/dbraw/zinc/80/46/01/969804601.db2.gz HPGIHRHZPQTULM-CYBMUJFWSA-N 1 0 208.349 2.027 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)C1 ZINC001254859574 969810208 /nfs/dbraw/zinc/81/02/08/969810208.db2.gz FPLFDSWZGGNQDK-CABCVRRESA-N 1 0 247.386 2.096 20 30 BEEDRO N#C[C@H]1CCC[N@@H+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254860037 969810881 /nfs/dbraw/zinc/81/08/81/969810881.db2.gz IVQBHJCEBNIAQU-GJZGRUSLSA-N 1 0 247.386 2.096 20 30 BEEDRO C#C[C@@](C)(CC)Nc1ccc([C@H](C)[NH3+])nc1 ZINC001169700251 969822930 /nfs/dbraw/zinc/82/29/30/969822930.db2.gz LNDQAVSDKSLMRG-GWCFXTLKSA-N 1 0 217.316 2.315 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc[nH+]c(CC(=O)OC)c1 ZINC001169700653 969825620 /nfs/dbraw/zinc/82/56/20/969825620.db2.gz UTRQXEMSTWPPNS-AWEZNQCLSA-N 1 0 246.310 2.011 20 30 BEEDRO C#C[C@@](C)(CC)Nc1ccccc1CC[NH3+] ZINC001169701685 969826695 /nfs/dbraw/zinc/82/66/95/969826695.db2.gz QTLAVXNSQGWHFS-AWEZNQCLSA-N 1 0 216.328 2.402 20 30 BEEDRO C=CCCC(=O)N[C@H](C)CCCC[NH2+]CC=C ZINC001169712394 969829976 /nfs/dbraw/zinc/82/99/76/969829976.db2.gz CZVSLRGXRPJQLZ-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO Cc1ccc(NC(C)(C)CC[NH+](C)C)c(C#N)n1 ZINC001169718373 969831137 /nfs/dbraw/zinc/83/11/37/969831137.db2.gz SQFLPHLXHHDRGZ-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO N#CC[C@@H]1CCC[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254955225 969837481 /nfs/dbraw/zinc/83/74/81/969837481.db2.gz YWVCBXFOEQYZAR-AVGNSLFASA-N 1 0 246.354 2.370 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254957479 969840129 /nfs/dbraw/zinc/84/01/29/969840129.db2.gz VFULRHINNVOLME-ITGUQSILSA-N 1 0 219.328 2.418 20 30 BEEDRO N#CC12CCC([NH2+]C3CCOCC3)(CC1)CC2 ZINC001255033720 969847971 /nfs/dbraw/zinc/84/79/71/969847971.db2.gz VWSWUFVOHUIVCZ-UHFFFAOYSA-N 1 0 234.343 2.372 20 30 BEEDRO N#CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC001255019681 969848408 /nfs/dbraw/zinc/84/84/08/969848408.db2.gz JTNNNPFPGLEFJX-UHFFFAOYSA-N 1 0 226.323 2.389 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@H+](C1CCOCC1)C2 ZINC001255039145 969860905 /nfs/dbraw/zinc/86/09/05/969860905.db2.gz UTVPQRUXFLLYNK-UHFFFAOYSA-N 1 0 242.322 2.095 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCCC2(C1)OCCO2 ZINC001169911807 969883783 /nfs/dbraw/zinc/88/37/83/969883783.db2.gz ATGAMSCQVCRLBV-CHWSQXEVSA-N 1 0 237.343 2.064 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C/C)C2 ZINC001109133084 969927923 /nfs/dbraw/zinc/92/79/23/969927923.db2.gz XYRWCLCAWQSYOR-XMASSBRRSA-N 1 0 248.370 2.250 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001156599292 969933215 /nfs/dbraw/zinc/93/32/15/969933215.db2.gz ZDCFZOJRAWAZKV-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+](C2CCSCC2)C1 ZINC001255097301 969936409 /nfs/dbraw/zinc/93/64/09/969936409.db2.gz ZVQBAWXGFSZCNH-NSHDSACASA-N 1 0 210.346 2.118 20 30 BEEDRO CC[C@H](CC#N)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC001255155463 969949334 /nfs/dbraw/zinc/94/93/34/969949334.db2.gz QPDHMXJKMSQZSY-UONOGXRCSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@@H](CC#N)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001255155462 969951166 /nfs/dbraw/zinc/95/11/66/969951166.db2.gz QPDHMXJKMSQZSY-KGLIPLIRSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@H](CC#N)N(CC)CC[NH+](CC)CC ZINC001255172259 969984308 /nfs/dbraw/zinc/98/43/08/969984308.db2.gz MFCULWPIJUJZRS-CYBMUJFWSA-N 1 0 225.380 2.342 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C12CCC(O)(CC1)CC2 ZINC001255155844 969954370 /nfs/dbraw/zinc/95/43/70/969954370.db2.gz VBWPCNGAPIZLTJ-HIFPTAJRSA-N 1 0 222.332 2.106 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(OC)c(O)c1 ZINC001255151414 969956106 /nfs/dbraw/zinc/95/61/06/969956106.db2.gz ASAQFKBSBYHGOC-GFCCVEGCSA-N 1 0 248.326 2.225 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCCCCC(=O)OC ZINC001255151416 969956330 /nfs/dbraw/zinc/95/63/30/969956330.db2.gz ASENWJYPQOBZSD-GFCCVEGCSA-N 1 0 240.347 2.392 20 30 BEEDRO CCCCCCCN1CC[NH2+]C[C@H](F)C1 ZINC001210580061 969956795 /nfs/dbraw/zinc/95/67/95/969956795.db2.gz DKYWZONWCQGOFW-LBPRGKRZSA-N 1 0 216.344 2.200 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(O)cc1 ZINC001255152527 969957116 /nfs/dbraw/zinc/95/71/16/969957116.db2.gz WEXPYLSOOIYGRJ-GFCCVEGCSA-N 1 0 218.300 2.217 20 30 BEEDRO CC[C@@H](CC#N)n1ccc2cc(C[NH3+])cnc21 ZINC001255153362 969960036 /nfs/dbraw/zinc/96/00/36/969960036.db2.gz VLCYBRNDSWAZPZ-LBPRGKRZSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)N(C(N)=[NH2+])c1ccccc1 ZINC001255154832 969961823 /nfs/dbraw/zinc/96/18/23/969961823.db2.gz GYQQXFGEQDXULH-SNVBAGLBSA-N 1 0 216.288 2.079 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](CO)c1ccccc1 ZINC001255164554 969976245 /nfs/dbraw/zinc/97/62/45/969976245.db2.gz OFOQTVGQLVXZOA-KBPBESRZSA-N 1 0 232.327 2.044 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CC[N@@H+](C(C)C)C[C@@H]1C ZINC001255165569 969976969 /nfs/dbraw/zinc/97/69/69/969976969.db2.gz YMMCBULIWVLAQI-MJBXVCDLSA-N 1 0 237.391 2.387 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001255166194 969979667 /nfs/dbraw/zinc/97/96/67/969979667.db2.gz HIQMRDMMYXCYKK-STQMWFEESA-N 1 0 222.332 2.324 20 30 BEEDRO CC[C@@H](CC#N)N1CC[NH+](CC2CCCC2)CC1 ZINC001255171763 969981832 /nfs/dbraw/zinc/98/18/32/969981832.db2.gz AMSZSUWXLNDLCE-HNNXBMFYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[C@H](CC#N)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001255172473 969983650 /nfs/dbraw/zinc/98/36/50/969983650.db2.gz ATRXKMPOTWZQGW-LPWJVIDDSA-N 1 0 217.316 2.445 20 30 BEEDRO CC[C@H](CC#N)[N@H+]1C[C@H]2[C@@H](C1)CCC[C@@H]2OC ZINC001255171787 969984480 /nfs/dbraw/zinc/98/44/80/969984480.db2.gz AVGMMHBXEMZTSO-MQYQWHSLSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@@H](CC#N)N(CC)CC[NH+](CC)CC ZINC001255172260 969986092 /nfs/dbraw/zinc/98/60/92/969986092.db2.gz MFCULWPIJUJZRS-ZDUSSCGKSA-N 1 0 225.380 2.342 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC(n2cccn2)CC1 ZINC001255174835 969987580 /nfs/dbraw/zinc/98/75/80/969987580.db2.gz JLNLDMGIOIWUAA-GFCCVEGCSA-N 1 0 232.331 2.212 20 30 BEEDRO CCc1cccc(C[NH2+]C[C@H](C)C#N)c1O ZINC000691468235 969993959 /nfs/dbraw/zinc/99/39/59/969993959.db2.gz SOSVDQSZUCXBBR-SNVBAGLBSA-N 1 0 218.300 2.204 20 30 BEEDRO COc1ccnc(NC2=CC(=O)C[C@@H](C)C2)c1 ZINC001210767031 970015604 /nfs/dbraw/zinc/01/56/04/970015604.db2.gz SIAPBYBHBSJMLU-VIFPVBQESA-N 1 0 232.283 2.385 20 30 BEEDRO Cc1cnccc1NC1=CC(=O)C[C@H](C)C1 ZINC001210765515 970016090 /nfs/dbraw/zinc/01/60/90/970016090.db2.gz DSNNYMZBLRRTHT-SECBINFHSA-N 1 0 216.284 2.107 20 30 BEEDRO Cc1[nH+]cc(NC2=CC(=O)C[C@@H](C)C2)n1C ZINC001210770658 970021768 /nfs/dbraw/zinc/02/17/68/970021768.db2.gz FHQQALMYTQZXHE-QMMMGPOBSA-N 1 0 219.288 2.023 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC000785769353 970087050 /nfs/dbraw/zinc/08/70/50/970087050.db2.gz UDGAUSPHAFIUOP-OAHLLOKOSA-N 1 0 229.323 2.256 20 30 BEEDRO CCCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001255319111 970091574 /nfs/dbraw/zinc/09/15/74/970091574.db2.gz GNBVZWHXXXCJOI-QWRGUYRKSA-N 1 0 230.352 2.075 20 30 BEEDRO CN(c1ccc(C#N)c2[nH]ccc21)C(C)(C)C[NH3+] ZINC001170059607 970112569 /nfs/dbraw/zinc/11/25/69/970112569.db2.gz OCPCTTFNNLMUJJ-UHFFFAOYSA-N 1 0 242.326 2.213 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCC[C@@H](C(=O)OCC)C1 ZINC001255373409 970119274 /nfs/dbraw/zinc/11/92/74/970119274.db2.gz PORWCHZOVWMSTQ-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2onc(C)c2C#N)cc1 ZINC001211127762 970155227 /nfs/dbraw/zinc/15/52/27/970155227.db2.gz XQOBUJLUKYTYJN-UHFFFAOYSA-N 1 0 242.282 2.318 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2cncc(C#N)c2)cc1 ZINC001211127408 970155520 /nfs/dbraw/zinc/15/55/20/970155520.db2.gz GRPASUSPZWFIQP-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO C[NH2+]Cc1ccc(Nc2oncc2C#N)cc1 ZINC001211128935 970156057 /nfs/dbraw/zinc/15/60/57/970156057.db2.gz MFYCIZVHOUHHLO-UHFFFAOYSA-N 1 0 228.255 2.009 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)C=C2CCC2)CC1 ZINC001112765351 970169480 /nfs/dbraw/zinc/16/94/80/970169480.db2.gz UOXYHAVAMYWKRS-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO COc1c[nH+]ccc1Nc1cccc(C#N)c1F ZINC001211259402 970204360 /nfs/dbraw/zinc/20/43/60/970204360.db2.gz ACVAXAKZAXRGFB-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO COc1c[nH+]ccc1Nc1cc(C#N)ccc1F ZINC001211263121 970211531 /nfs/dbraw/zinc/21/15/31/970211531.db2.gz HDMGTLCAOWMWMS-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255527974 970291243 /nfs/dbraw/zinc/29/12/43/970291243.db2.gz BVWLZKPUNYUTCF-YPMHNXCESA-N 1 0 209.333 2.336 20 30 BEEDRO Cc1cc(Nc2ccc(N)c(C#N)c2)cc[nH+]1 ZINC001213427486 970312587 /nfs/dbraw/zinc/31/25/87/970312587.db2.gz ZPHRDVOFVWBHGZ-UHFFFAOYSA-N 1 0 224.267 2.009 20 30 BEEDRO C=C[C@@H]1C[C@]1(N[C@H]1CC[C@H](C)C1)C(=O)OCC ZINC001170110344 970315884 /nfs/dbraw/zinc/31/58/84/970315884.db2.gz XGRMMDYFWDTGGB-KZVDOYCCSA-N 1 0 237.343 2.272 20 30 BEEDRO C=C[C@@H]1C[C@]1(N[C@H]1CC[C@@H](C)C1)C(=O)OCC ZINC001170110345 970317508 /nfs/dbraw/zinc/31/75/08/970317508.db2.gz XGRMMDYFWDTGGB-NRWUCQMLSA-N 1 0 237.343 2.272 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCOC(C)(C)C2)C1 ZINC001255546282 970320940 /nfs/dbraw/zinc/32/09/40/970320940.db2.gz NWVVIIJRZSUQBN-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+]([C@H]2CCOC(C)(C)C2)C1 ZINC001255551323 970321921 /nfs/dbraw/zinc/32/19/21/970321921.db2.gz KIMYDYKCRJSTPL-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO COC[C@@H](C)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001255560328 970337556 /nfs/dbraw/zinc/33/75/56/970337556.db2.gz PKOLUWQTNBOHMN-LLVKDONJSA-N 1 0 230.311 2.172 20 30 BEEDRO N#CC1(c2cccc(C3=CC[NH2+]C3)c2)CC1 ZINC001243110620 970349895 /nfs/dbraw/zinc/34/98/95/970349895.db2.gz JPULBHFNBNCKGH-UHFFFAOYSA-N 1 0 210.280 2.228 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC001255627955 970406982 /nfs/dbraw/zinc/40/69/82/970406982.db2.gz JTUIBIMELMNQRI-CYBMUJFWSA-N 1 0 249.354 2.017 20 30 BEEDRO COc1cc[nH+]c(NCCCCC#N)c1 ZINC001157638242 970503587 /nfs/dbraw/zinc/50/35/87/970503587.db2.gz YSUBAUHHSAUGQK-UHFFFAOYSA-N 1 0 205.261 2.196 20 30 BEEDRO CC(C)C[C@H]([NH2+]C1CCCCCC1)C(=O)NO ZINC001255886704 970549107 /nfs/dbraw/zinc/54/91/07/970549107.db2.gz AKWZBBPUMOXPAI-LBPRGKRZSA-N 1 0 242.363 2.219 20 30 BEEDRO CO[C@@H](C[N@H+](CCC#N)CC(C)C)C1CC1 ZINC000400151101 970558914 /nfs/dbraw/zinc/55/89/14/970558914.db2.gz DCEFVCQQKSKTHL-ZDUSSCGKSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NCc1ccc(C#N)o1 ZINC001255951194 970580367 /nfs/dbraw/zinc/58/03/67/970580367.db2.gz NSXJEXPFNSROOF-LBPRGKRZSA-N 1 0 249.358 2.361 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH+]2CCC(S)CC2)CCO1 ZINC001170225593 970627709 /nfs/dbraw/zinc/62/77/09/970627709.db2.gz AAFPPFXAJICSEE-WDEREUQCSA-N 1 0 229.389 2.338 20 30 BEEDRO CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000400793216 970627786 /nfs/dbraw/zinc/62/77/86/970627786.db2.gz VPCBQPSSIPHSMO-GWCFXTLKSA-N 1 0 245.326 2.260 20 30 BEEDRO CCC(C#N)(CC)NC1CC[NH+](C2CC2)CC1 ZINC001256073684 970643477 /nfs/dbraw/zinc/64/34/77/970643477.db2.gz AAUGXWVDIUQSAZ-UHFFFAOYSA-N 1 0 235.375 2.285 20 30 BEEDRO N#CCC1CC[NH+](C2CCN(C3CC3)CC2)CC1 ZINC001256077061 970647343 /nfs/dbraw/zinc/64/73/43/970647343.db2.gz LAAPMCODSKKCGY-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO CCCCN(CC#N)C1CC[NH+](C2CC2)CC1 ZINC001256081268 970647895 /nfs/dbraw/zinc/64/78/95/970647895.db2.gz WEQJYTSNZPPUMX-UHFFFAOYSA-N 1 0 235.375 2.239 20 30 BEEDRO C=C(C)c1ccc(NCC2C[NH+](C)C2)nc1 ZINC001170252824 970658397 /nfs/dbraw/zinc/65/83/97/970658397.db2.gz CYTZGPVJNVXIEE-UHFFFAOYSA-N 1 0 217.316 2.088 20 30 BEEDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000401224228 970670579 /nfs/dbraw/zinc/67/05/79/970670579.db2.gz JONWGCVHLSNPMM-RWMBFGLXSA-N 1 0 243.354 2.129 20 30 BEEDRO C=CCCCNc1ccc2c(n1)C[NH2+]CC2 ZINC001170298706 970679273 /nfs/dbraw/zinc/67/92/73/970679273.db2.gz KNHMHQSBTYLGRO-UHFFFAOYSA-N 1 0 217.316 2.105 20 30 BEEDRO C[N@H+](Cc1cc(F)cc(C#N)c1)[C@@H]1CCCOC1 ZINC000401462702 970699088 /nfs/dbraw/zinc/69/90/88/970699088.db2.gz KCHZKKFUXXPTJQ-CQSZACIVSA-N 1 0 248.301 2.308 20 30 BEEDRO CCc1cc(NCC(C)(C)S)cc[nH+]1 ZINC001170308757 970717697 /nfs/dbraw/zinc/71/76/97/970717697.db2.gz FPKWHHNGLBJMPU-UHFFFAOYSA-N 1 0 210.346 2.186 20 30 BEEDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1C#N ZINC000305268258 970720916 /nfs/dbraw/zinc/72/09/16/970720916.db2.gz ZHEIZEBZXLUHGY-QWHCGFSZSA-N 1 0 244.338 2.151 20 30 BEEDRO CCCCCCC[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000401816186 970733066 /nfs/dbraw/zinc/73/30/66/970733066.db2.gz XMUMVVRGAMKFRS-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCCC#N)C[C@H]1C ZINC001170413235 970744465 /nfs/dbraw/zinc/74/44/65/970744465.db2.gz XERZPJCOFJKTHL-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCC[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170417186 970746716 /nfs/dbraw/zinc/74/67/16/970746716.db2.gz HEUSUINUQYSRGO-CYBMUJFWSA-N 1 0 245.322 2.349 20 30 BEEDRO C[C@]1(CF)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC001144153642 972636997 /nfs/dbraw/zinc/63/69/97/972636997.db2.gz IUSUGXVJSOKGOO-CYBMUJFWSA-N 1 0 233.290 2.135 20 30 BEEDRO CC[NH+](CC)C[C@H](C)OCc1ccnc(C#N)c1 ZINC001222729751 972674992 /nfs/dbraw/zinc/67/49/92/972674992.db2.gz CQIUJMZBGDOTFF-LBPRGKRZSA-N 1 0 247.342 2.200 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)CO ZINC001171175424 972800369 /nfs/dbraw/zinc/80/03/69/972800369.db2.gz KRZXBEWAODYGBG-GFCCVEGCSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@H](CN(C)C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171178102 972804975 /nfs/dbraw/zinc/80/49/75/972804975.db2.gz CEMJHOXVJDFPOX-QWHCGFSZSA-N 1 0 245.370 2.029 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCOC1 ZINC001171177776 972806142 /nfs/dbraw/zinc/80/61/42/972806142.db2.gz AHOGYVJKPZXDNY-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO CC(C)[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171176901 972806337 /nfs/dbraw/zinc/80/63/37/972806337.db2.gz XFWWLYYVLFYBBZ-LLVKDONJSA-N 1 0 202.301 2.487 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171176335 972809141 /nfs/dbraw/zinc/80/91/41/972809141.db2.gz RJINHJXRDYRHJT-RYUDHWBXSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCF ZINC001171179556 972809454 /nfs/dbraw/zinc/80/94/54/972809454.db2.gz UAHUCVLBAVPPDK-SNVBAGLBSA-N 1 0 206.264 2.048 20 30 BEEDRO C#CC1([NH2+][C@@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171193094 972841364 /nfs/dbraw/zinc/84/13/64/972841364.db2.gz ROHNUHBJOWDHNA-LBPRGKRZSA-N 1 0 224.307 2.245 20 30 BEEDRO CC(C)([NH3+])CNc1ccc(CCC#N)cc1 ZINC001171194739 972847722 /nfs/dbraw/zinc/84/77/22/972847722.db2.gz CNDXNLHQOANZPQ-UHFFFAOYSA-N 1 0 217.316 2.292 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)cc1 ZINC001144567955 972873597 /nfs/dbraw/zinc/87/35/97/972873597.db2.gz FQGBJNNQIOSMMA-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)cc1 ZINC001144568083 972875650 /nfs/dbraw/zinc/87/56/50/972875650.db2.gz KKVCKQLFHLYLKA-KKUMJFAQSA-N 1 0 229.298 2.458 20 30 BEEDRO C#Cc1ccc(CN2CCC(=O)[C@H](C)C2)cc1 ZINC001144568579 972877436 /nfs/dbraw/zinc/87/74/36/972877436.db2.gz YXAWWIPLQLWMAY-GFCCVEGCSA-N 1 0 227.307 2.079 20 30 BEEDRO CC[N@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171202780 972899400 /nfs/dbraw/zinc/89/94/00/972899400.db2.gz GENHRFAYFBCWGY-LLVKDONJSA-N 1 0 202.301 2.441 20 30 BEEDRO C[C@H](C[NH+](C)C)OCc1ccc(C#N)s1 ZINC001223288016 972927319 /nfs/dbraw/zinc/92/73/19/972927319.db2.gz FGOQEKGEIUHZSB-SECBINFHSA-N 1 0 224.329 2.086 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208988 972945194 /nfs/dbraw/zinc/94/51/94/972945194.db2.gz GWYFXWRNDNHBFR-SWLSCSKDSA-N 1 0 244.338 2.210 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C1(C)CC1 ZINC001328344052 972981026 /nfs/dbraw/zinc/98/10/26/972981026.db2.gz UXPHYSYQPRFJRF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[N@H+]([C@@H](C)Cc1cccc(C#N)c1)C1COC1 ZINC001171220799 972997813 /nfs/dbraw/zinc/99/78/13/972997813.db2.gz CCEXBIZAMXQRIY-LBPRGKRZSA-N 1 0 244.338 2.210 20 30 BEEDRO Cc1cc(C[NH2+]Cc2ccc(CC#N)cc2)[nH]n1 ZINC001328388895 973010439 /nfs/dbraw/zinc/01/04/39/973010439.db2.gz UYVKNUSDRAKDEC-UHFFFAOYSA-N 1 0 240.310 2.074 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171229996 973029715 /nfs/dbraw/zinc/02/97/15/973029715.db2.gz ACZAPAWWNJCRQZ-CQSZACIVSA-N 1 0 236.318 2.058 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000846908531 973059945 /nfs/dbraw/zinc/05/99/45/973059945.db2.gz VKFPNNSZRNZBBU-CQSZACIVSA-N 1 0 214.312 2.284 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CCN[C@@H]4C[C@@H]43)C[C@H](C1)C2 ZINC001246667265 973081187 /nfs/dbraw/zinc/08/11/87/973081187.db2.gz YSHARZCYUDVNGC-WQGXVZNYSA-N 1 0 232.371 2.167 20 30 BEEDRO C[C@@H](CCC#N)[NH2+]C1(C2CC2)CCOCC1 ZINC001328620038 973205948 /nfs/dbraw/zinc/20/59/48/973205948.db2.gz PERTUTCZWMVQQO-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO CC[N@@H+]1CC[C@H](O[C@H](C#N)c2ccccc2)C1 ZINC001223710122 973228705 /nfs/dbraw/zinc/22/87/05/973228705.db2.gz UPNCTAJSLLLZAN-UONOGXRCSA-N 1 0 230.311 2.362 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CCCCC1 ZINC001328978439 973413868 /nfs/dbraw/zinc/41/38/68/973413868.db2.gz QAHKODUWYZNLJZ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C/C ZINC001329008172 973424809 /nfs/dbraw/zinc/42/48/09/973424809.db2.gz LLYOKIAGJNGXNU-AQKAQLFCSA-N 1 0 244.766 2.188 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)O[C@H]1Cc2ccccc21 ZINC001224062556 973435923 /nfs/dbraw/zinc/43/59/23/973435923.db2.gz MZSKZFRYYJEMEZ-HIFRSBDPSA-N 1 0 245.346 2.289 20 30 BEEDRO C[NH+]1CC2(C1)CCN(c1ccccc1C#N)CC2 ZINC001276953377 973473033 /nfs/dbraw/zinc/47/30/33/973473033.db2.gz KLJLOJJLWVGSGR-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](C)C1CCCC1 ZINC001147341510 973540335 /nfs/dbraw/zinc/54/03/35/973540335.db2.gz UWBKTGBNTOXKNG-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCOC[C@@H]1CCC2(CC[NH+](C)CC2)O1 ZINC001224341867 973577147 /nfs/dbraw/zinc/57/71/47/973577147.db2.gz NFQNHMXRFAKTGR-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H](C)CC(C)C ZINC001147394157 973582869 /nfs/dbraw/zinc/58/28/69/973582869.db2.gz QHOKJBUIHFCMKV-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(C)=O ZINC001224394818 973625963 /nfs/dbraw/zinc/62/59/63/973625963.db2.gz MGIJEGUHPDBCFX-MRVWCRGKSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCCCCCO[C@H](C)CN1CCOCC1 ZINC001224428376 973641383 /nfs/dbraw/zinc/64/13/83/973641383.db2.gz VQUYNJHGLRNEAA-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCCCCCO[C@@H](C)CN1CCOCC1 ZINC001224428375 973642519 /nfs/dbraw/zinc/64/25/19/973642519.db2.gz VQUYNJHGLRNEAA-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C[NH+]1CCC(COC2CCC(C#N)CC2)CC1 ZINC001224448971 973655193 /nfs/dbraw/zinc/65/51/93/973655193.db2.gz CCHZQSWCQPJCLB-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO C#C[C@H](CCC)OCC1CC[NH+](C)CC1 ZINC001224452248 973658497 /nfs/dbraw/zinc/65/84/97/973658497.db2.gz DXYLKSJPHGIYDJ-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@@H]1C[N@H+](C2CCC(C)(C#N)CC2)C[C@H](C)N1 ZINC001246962206 973671541 /nfs/dbraw/zinc/67/15/41/973671541.db2.gz CZQIWEZPELGXTE-VTXSZYRJSA-N 1 0 235.375 2.141 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC001329376152 973716089 /nfs/dbraw/zinc/71/60/89/973716089.db2.gz RVXOJBNHAKLHKX-SWLSCSKDSA-N 1 0 247.338 2.473 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001329413858 973751591 /nfs/dbraw/zinc/75/15/91/973751591.db2.gz IWXLQAXLIFXQKN-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC001329425354 973763228 /nfs/dbraw/zinc/76/32/28/973763228.db2.gz MAQNYXBVYHVLHQ-LBPRGKRZSA-N 1 0 243.395 2.112 20 30 BEEDRO N#CC1CCC(N2CC[C@H]3[NH2+]CCC[C@H]3C2)CC1 ZINC001247014513 973795106 /nfs/dbraw/zinc/79/51/06/973795106.db2.gz KOEDXWNMEMKBOD-OOJKYFRXSA-N 1 0 247.386 2.143 20 30 BEEDRO N#Cc1ccc(F)c(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171328932 973824484 /nfs/dbraw/zinc/82/44/84/973824484.db2.gz DBTVUAHHBUPKFW-NSHDSACASA-N 1 0 233.290 2.251 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H](CC)C(C)C ZINC001148352790 973830595 /nfs/dbraw/zinc/83/05/95/973830595.db2.gz PRDOTRHFQJUOFB-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C[NH+]1CCC(OCCc2ccc(C#N)cc2)CC1 ZINC001224653698 973830454 /nfs/dbraw/zinc/83/04/54/973830454.db2.gz SUMXYQFCQZXWKG-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[N@@H+]1CCC[C@@H](OCCCCCC#N)C1 ZINC001224692347 973859893 /nfs/dbraw/zinc/85/98/93/973859893.db2.gz IINUKXQCPKUTEH-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C[N@@H+]1CCC[C@H](OCCCCCC#N)C1 ZINC001224692348 973861076 /nfs/dbraw/zinc/86/10/76/973861076.db2.gz IINUKXQCPKUTEH-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO O/N=C/c1cccc(NC[C@@H]2CCCC[NH2+]2)c1 ZINC001171333116 973864460 /nfs/dbraw/zinc/86/44/60/973864460.db2.gz CBCAHRLQYOXRLJ-WFSQQTBHSA-N 1 0 233.315 2.049 20 30 BEEDRO C#CC[NH2+]CCNC(=O)CCCCCCCC ZINC001148728094 973884676 /nfs/dbraw/zinc/88/46/76/973884676.db2.gz VNWYSIWPJQCKQW-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H](C)C(C)(C)C ZINC001148999764 973899295 /nfs/dbraw/zinc/89/92/95/973899295.db2.gz JUFXSJSUPJKKDA-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(CO[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001224734907 973900178 /nfs/dbraw/zinc/90/01/78/973900178.db2.gz YPZUOLMXCDJNII-AWEZNQCLSA-N 1 0 217.312 2.421 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CC2CCC(O)CC2)C1 ZINC001329876203 973986638 /nfs/dbraw/zinc/98/66/38/973986638.db2.gz IWKGPTQTHQEEIW-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1(Br)CC1 ZINC001329871974 973988298 /nfs/dbraw/zinc/98/82/98/973988298.db2.gz ZEXDPXXFKHWDPZ-UHFFFAOYSA-N 1 0 242.160 2.259 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)C1CCC1 ZINC001329876308 973990129 /nfs/dbraw/zinc/99/01/29/973990129.db2.gz PQUITXBAKTZWNY-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H](OC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001224817716 974002640 /nfs/dbraw/zinc/00/26/40/974002640.db2.gz YBPKIKPDTHFACO-GJZGRUSLSA-N 1 0 229.323 2.472 20 30 BEEDRO C[C@@H](CS)OCCC[NH+]1CCCCC1 ZINC001224861409 974023013 /nfs/dbraw/zinc/02/30/13/974023013.db2.gz VTMWQHVUKKSGBQ-NSHDSACASA-N 1 0 217.378 2.197 20 30 BEEDRO C#Cc1cccnc1NC[C@@H]1CCC[N@@H+](CC)C1 ZINC001329975735 974063984 /nfs/dbraw/zinc/06/39/84/974063984.db2.gz HVAGYJGOLOQFAU-ZDUSSCGKSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC(NCc1cccc2ncoc21)=[NH+]COC ZINC001171453117 974075916 /nfs/dbraw/zinc/07/59/16/974075916.db2.gz PKGAUPIOLDGOGC-UHFFFAOYSA-N 1 0 245.282 2.106 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463356 974078129 /nfs/dbraw/zinc/07/81/29/974078129.db2.gz QXBDYKLFBZYKPT-CABZTGNLSA-N 1 0 235.277 2.433 20 30 BEEDRO Cc1cccc(C[NH+]2CCC(S)CC2)n1 ZINC001204067892 974091074 /nfs/dbraw/zinc/09/10/74/974091074.db2.gz NHBQLQNTDPKDTL-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO CC(C)[NH+]1CCC(OCC2(C#N)CC2)CC1 ZINC001224948677 974093562 /nfs/dbraw/zinc/09/35/62/974093562.db2.gz QHWCISHXOAGATH-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2c(C)cccc2C1 ZINC001171555774 974098770 /nfs/dbraw/zinc/09/87/70/974098770.db2.gz BRHBRLKBXYHYQV-AWEZNQCLSA-N 1 0 213.324 2.465 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2c(C)cccc2C1 ZINC001171570584 974104513 /nfs/dbraw/zinc/10/45/13/974104513.db2.gz MAMWZHZXLGKWJE-AWEZNQCLSA-N 1 0 213.324 2.417 20 30 BEEDRO C[NH+]1C(C)(C)CC(NC2(C#N)CC2)CC1(C)C ZINC001171613740 974112635 /nfs/dbraw/zinc/11/26/35/974112635.db2.gz ORQUCZXQHGTNEQ-UHFFFAOYSA-N 1 0 235.375 2.284 20 30 BEEDRO C#C[C@@H](OCCCC[NH+](C)C)c1ccncc1 ZINC001224991020 974121704 /nfs/dbraw/zinc/12/17/04/974121704.db2.gz LNXCIKVLPNVRKO-CQSZACIVSA-N 1 0 232.327 2.114 20 30 BEEDRO C[NH+](C)CCCCOC1CCC(C#N)CC1 ZINC001224993136 974127991 /nfs/dbraw/zinc/12/79/91/974127991.db2.gz ZVKVOHNXXMRZHY-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C=C(C)C)C2 ZINC001094843788 974162864 /nfs/dbraw/zinc/16/28/64/974162864.db2.gz JREBOCGWGFAGCJ-MJBXVCDLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C(C)(C)C ZINC001171798799 974197204 /nfs/dbraw/zinc/19/72/04/974197204.db2.gz HVNZATKBTPNEEJ-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc(C)n[nH]1 ZINC001330303211 974224256 /nfs/dbraw/zinc/22/42/56/974224256.db2.gz WYKKCMVPHKFIGY-UHFFFAOYSA-N 1 0 225.361 2.117 20 30 BEEDRO C=CC[N@@H+]([C@H]1CCN(CC)C(=O)C1)C(C)(C)C ZINC001172054003 974267630 /nfs/dbraw/zinc/26/76/30/974267630.db2.gz UDJXSKCYCDRPEE-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1nnc(C)n1C ZINC001330528303 974290162 /nfs/dbraw/zinc/29/01/62/974290162.db2.gz IXZPXXPGFFDTRW-NSHDSACASA-N 1 0 236.363 2.348 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C#N)CCC1)C2 ZINC001172099096 974341478 /nfs/dbraw/zinc/34/14/78/974341478.db2.gz IJDGODHHWJNLGI-XYYAHUGASA-N 1 0 233.359 2.038 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCCC[C@@H]1C#N)C2 ZINC001172126480 974350703 /nfs/dbraw/zinc/35/07/03/974350703.db2.gz WGWYHFIEGOZOKU-LXTVHRRPSA-N 1 0 247.386 2.380 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC2(OC)CCC2)C1 ZINC001330622167 974355175 /nfs/dbraw/zinc/35/51/75/974355175.db2.gz QJVBQBKIYLVRGP-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCC[C@H]1N(C)C ZINC001330608025 974355858 /nfs/dbraw/zinc/35/58/58/974355858.db2.gz LLFFPMQRBSDESM-MGPQQGTHSA-N 1 0 237.391 2.389 20 30 BEEDRO CC[C@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110810 974372122 /nfs/dbraw/zinc/37/21/22/974372122.db2.gz PKOBZFAVCAZRKO-XJFOESAGSA-N 1 0 235.375 2.284 20 30 BEEDRO CC[C@@](C)(C#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110808 974374913 /nfs/dbraw/zinc/37/49/13/974374913.db2.gz PKOBZFAVCAZRKO-CRWXNKLISA-N 1 0 235.375 2.284 20 30 BEEDRO N#CCC1(C[NH2+]C2(C3CC3)CCOCC2)CC1 ZINC001330653631 974388303 /nfs/dbraw/zinc/38/83/03/974388303.db2.gz BZXJXLZPMWBSDF-UHFFFAOYSA-N 1 0 234.343 2.229 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(C(C)(C)C)CC1 ZINC001330660824 974390137 /nfs/dbraw/zinc/39/01/37/974390137.db2.gz BQLFHZFGAYNJTF-GFCCVEGCSA-N 1 0 210.365 2.367 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC001172123573 974391991 /nfs/dbraw/zinc/39/19/91/974391991.db2.gz FDMCOZCIBBQOBH-JONQDZQNSA-N 1 0 246.398 2.347 20 30 BEEDRO C=CCC[NH2+]CCC[C@H](C)NC(=O)C(C)(F)F ZINC001330724033 974441793 /nfs/dbraw/zinc/44/17/93/974441793.db2.gz FMDJHDOBKDFNCB-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO N#Cc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001172226028 974461414 /nfs/dbraw/zinc/46/14/14/974461414.db2.gz MLYUPTYCJAEWPI-YOGCLGLASA-N 1 0 248.351 2.419 20 30 BEEDRO C#CCCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)O3)N=N1 ZINC001172226419 974463218 /nfs/dbraw/zinc/46/32/18/974463218.db2.gz YULJQXUVRZZKAW-YHWZYXNKSA-N 1 0 247.342 2.252 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001172193847 974478979 /nfs/dbraw/zinc/47/89/79/974478979.db2.gz PLKNGMCKOXAMPN-CMPLNLGQSA-N 1 0 217.337 2.315 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300890 974515225 /nfs/dbraw/zinc/51/52/25/974515225.db2.gz IPKZTKOOFHLGFE-RYUDHWBXSA-N 1 0 212.296 2.101 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CC(C)C1 ZINC001172307130 974515943 /nfs/dbraw/zinc/51/59/43/974515943.db2.gz BTZARLXFWFNELD-LBPRGKRZSA-N 1 0 214.312 2.441 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH+]1CCC1 ZINC001172307085 974516458 /nfs/dbraw/zinc/51/64/58/974516458.db2.gz BNOQVVYQDMKBGB-NSHDSACASA-N 1 0 200.285 2.195 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCCOCC1 ZINC001172308884 974517555 /nfs/dbraw/zinc/51/75/55/974517555.db2.gz NYSJHRUUMUAFPT-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO CCC[C@H](CO)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172302754 974519080 /nfs/dbraw/zinc/51/90/80/974519080.db2.gz QHBJZURMWSCOKJ-IUODEOHRSA-N 1 0 246.354 2.240 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)CC1COC1 ZINC001172318464 974527011 /nfs/dbraw/zinc/52/70/11/974527011.db2.gz GMQYXCAZWVHALW-LBPRGKRZSA-N 1 0 244.338 2.067 20 30 BEEDRO CSCC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172290609 974557194 /nfs/dbraw/zinc/55/71/94/974557194.db2.gz QWSYKVZHVKSDPG-LLVKDONJSA-N 1 0 234.368 2.442 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CCF ZINC001172290678 974557573 /nfs/dbraw/zinc/55/75/73/974557573.db2.gz RFKMRIUBEGGNNS-SNVBAGLBSA-N 1 0 206.264 2.048 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172289992 974557578 /nfs/dbraw/zinc/55/75/78/974557578.db2.gz LPYFFAVXWLMRDF-LBPRGKRZSA-N 1 0 226.323 2.491 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CCOCC1 ZINC001172293177 974558855 /nfs/dbraw/zinc/55/88/55/974558855.db2.gz SLQYDTGVBZQCAM-LBPRGKRZSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C(C)(C)CN ZINC001172293152 974560021 /nfs/dbraw/zinc/56/00/21/974560021.db2.gz BRSZQLXNHRLTHJ-GFCCVEGCSA-N 1 0 245.370 2.158 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)CCO[C@@H](C)CC ZINC001172346487 974614025 /nfs/dbraw/zinc/61/40/25/974614025.db2.gz JGGKPKUOMQEOIY-KBPBESRZSA-N 1 0 221.344 2.149 20 30 BEEDRO C=CCC[NH2+][C@H](CCNC(=O)C1CC1)C(C)C ZINC001331176674 974633144 /nfs/dbraw/zinc/63/31/44/974633144.db2.gz NPZIHVSYCZAECO-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@@H](CC(C)C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001172402682 974654390 /nfs/dbraw/zinc/65/43/90/974654390.db2.gz UWHGOMPCZQWUMY-RYUDHWBXSA-N 1 0 244.379 2.321 20 30 BEEDRO CCOCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001172405763 974660240 /nfs/dbraw/zinc/66/02/40/974660240.db2.gz CVYXBZRTZKAOPI-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC001331255542 974661691 /nfs/dbraw/zinc/66/16/91/974661691.db2.gz VPBLLBUHNHOYCH-FRRDWIJNSA-N 1 0 227.348 2.125 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)CCOCC)CC1 ZINC001172425646 974702149 /nfs/dbraw/zinc/70/21/49/974702149.db2.gz CXEPDOCPZZDBMD-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)/C(C)=C\C ZINC001331421660 974710668 /nfs/dbraw/zinc/71/06/68/974710668.db2.gz LGFMPVIZYLALPB-WDDYJBPVSA-N 1 0 244.766 2.142 20 30 BEEDRO CCOCC[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC001172433572 974720579 /nfs/dbraw/zinc/72/05/79/974720579.db2.gz RBSIMVPAJJBZHG-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CCOCCOCC[NH2+][C@H](CC)CC(C)C ZINC001172392635 974743142 /nfs/dbraw/zinc/74/31/42/974743142.db2.gz GFBAFNCVLLTDAD-CQSZACIVSA-N 1 0 241.375 2.067 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccsc1 ZINC001331583881 974769525 /nfs/dbraw/zinc/76/95/25/974769525.db2.gz NXDHTFVYQYJWJL-AAEUAGOBSA-N 1 0 237.368 2.043 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCCC(C)C ZINC001331586327 974771596 /nfs/dbraw/zinc/77/15/96/974771596.db2.gz YHMWJTHCNYHKPO-STQMWFEESA-N 1 0 211.349 2.175 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1ccncc1 ZINC001172475863 974773059 /nfs/dbraw/zinc/77/30/59/974773059.db2.gz DFJJXQJHVRUGEV-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCN1CCCCC1 ZINC001172476213 974773105 /nfs/dbraw/zinc/77/31/05/974773105.db2.gz IZXGLMABHCPTNY-CYBMUJFWSA-N 1 0 223.364 2.144 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@@H](C)CCCC#N ZINC001172476152 974773215 /nfs/dbraw/zinc/77/32/15/974773215.db2.gz IADYEAXJQJJCFE-NSHDSACASA-N 1 0 240.347 2.390 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@H](C)CCCC#N ZINC001172476151 974773583 /nfs/dbraw/zinc/77/35/83/974773583.db2.gz IADYEAXJQJJCFE-LLVKDONJSA-N 1 0 240.347 2.390 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccccn1 ZINC001172477270 974774039 /nfs/dbraw/zinc/77/40/39/974774039.db2.gz YGCANFJTMFJWJE-LLVKDONJSA-N 1 0 203.289 2.254 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cncs1 ZINC001172476860 974774492 /nfs/dbraw/zinc/77/44/92/974774492.db2.gz ROODSCSBKGEIPK-SECBINFHSA-N 1 0 209.318 2.315 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1nccs1 ZINC001172476658 974775065 /nfs/dbraw/zinc/77/50/65/974775065.db2.gz PMCAGIQGRYGWOC-SECBINFHSA-N 1 0 209.318 2.315 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H](O)c1ccccc1 ZINC001172477378 974775205 /nfs/dbraw/zinc/77/52/05/974775205.db2.gz YSVMDYUINASOPP-JSGCOSHPSA-N 1 0 232.327 2.392 20 30 BEEDRO CCOC(=O)C[C@H](C)[NH2+][C@@H](C)CCCC#N ZINC001172478840 974776969 /nfs/dbraw/zinc/77/69/69/974776969.db2.gz HYBMNXNNVJJQEU-QWRGUYRKSA-N 1 0 226.320 2.000 20 30 BEEDRO COc1ncccc1C[NH2+][C@@H](C)CCCC#N ZINC001172480099 974779168 /nfs/dbraw/zinc/77/91/68/974779168.db2.gz QLWDXKOOFWETFF-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc2nonc2c1 ZINC001172480607 974781453 /nfs/dbraw/zinc/78/14/53/974781453.db2.gz VVRQMDOQUKTYGH-SNVBAGLBSA-N 1 0 244.298 2.395 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)CN1CCCC1 ZINC001172481252 974782654 /nfs/dbraw/zinc/78/26/54/974782654.db2.gz RPLTYRMPTDCBBK-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccc(F)n1 ZINC001172482751 974783218 /nfs/dbraw/zinc/78/32/18/974783218.db2.gz JWPYAGBXVITIGA-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCOc1cccnc1 ZINC001172481992 974783495 /nfs/dbraw/zinc/78/34/95/974783495.db2.gz AWXMWXVJUYZTHR-GFCCVEGCSA-N 1 0 233.315 2.132 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H](O)c1cccc(O)c1 ZINC001172482051 974784348 /nfs/dbraw/zinc/78/43/48/974784348.db2.gz BIGOPIOBCGTQQW-RISCZKNCSA-N 1 0 248.326 2.098 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1CCC(=O)CC1 ZINC001172483784 974785483 /nfs/dbraw/zinc/78/54/83/974785483.db2.gz UGCKGDQRLNIYEQ-JTQLQIEISA-N 1 0 208.305 2.170 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](C)Cc1cnccn1 ZINC001172483528 974786023 /nfs/dbraw/zinc/78/60/23/974786023.db2.gz RVYGQGANDFCMHS-NEPJUHHUSA-N 1 0 232.331 2.080 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccccc1CO ZINC001172484220 974786253 /nfs/dbraw/zinc/78/62/53/974786253.db2.gz YQPQBGIOGUTXRK-LBPRGKRZSA-N 1 0 232.327 2.351 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)Cc1cnccn1 ZINC001172483544 974786832 /nfs/dbraw/zinc/78/68/32/974786832.db2.gz RVYGQGANDFCMHS-RYUDHWBXSA-N 1 0 232.331 2.080 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+][C@H](C)CCCC#N ZINC001172485666 974788299 /nfs/dbraw/zinc/78/82/99/974788299.db2.gz SCXNAWRPHVOJKE-VXGBXAGGSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1NC(=O)c2ccccc21 ZINC001172485101 974789426 /nfs/dbraw/zinc/78/94/26/974789426.db2.gz LWJWHKXETCZIHR-MFKMUULPSA-N 1 0 243.310 2.101 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCOC[C@@H]1C ZINC001172484710 974789653 /nfs/dbraw/zinc/78/96/53/974789653.db2.gz HUQNOTJKMCBLSZ-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC001172486231 974790553 /nfs/dbraw/zinc/79/05/53/974790553.db2.gz AJFRCDYTFQDLNF-JSGCOSHPSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH+]1CCC(C#N)CC1 ZINC001172440882 974798181 /nfs/dbraw/zinc/79/81/81/974798181.db2.gz PZLUILMYLUEQSH-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001331741098 974810925 /nfs/dbraw/zinc/81/09/25/974810925.db2.gz HQFZGJUWCHBVCK-NXEZZACHSA-N 1 0 223.345 2.373 20 30 BEEDRO C=CCC[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)F ZINC001277106329 974821333 /nfs/dbraw/zinc/82/13/33/974821333.db2.gz DFTIIPDMJJUMFY-LLVKDONJSA-N 1 0 244.354 2.185 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCN1CCC(F)CC1 ZINC001172488422 974832323 /nfs/dbraw/zinc/83/23/23/974832323.db2.gz MVSPYPGPOXGZSV-GFCCVEGCSA-N 1 0 241.354 2.092 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCN1CCC[C@@H](F)C1 ZINC001172488811 974832737 /nfs/dbraw/zinc/83/27/37/974832737.db2.gz OLLJTBMRQMOREL-CHWSQXEVSA-N 1 0 241.354 2.092 20 30 BEEDRO COc1cncc(CC[NH2+][C@@H](C)CCCC#N)c1 ZINC001172488916 974832756 /nfs/dbraw/zinc/83/27/56/974832756.db2.gz NQTRWIKXOHEBIT-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1CCN(CCF)CC1 ZINC001172488631 974833175 /nfs/dbraw/zinc/83/31/75/974833175.db2.gz MGTWPPLSVSUJQF-LBPRGKRZSA-N 1 0 241.354 2.092 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(F)cn1 ZINC001172488125 974833909 /nfs/dbraw/zinc/83/39/09/974833909.db2.gz JAEDYDZPLONBLO-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1Oc2ccccc2O1 ZINC001172487731 974834005 /nfs/dbraw/zinc/83/40/05/974834005.db2.gz JAWYGYWANSONMN-LLVKDONJSA-N 1 0 246.310 2.456 20 30 BEEDRO C[C@@H](CCCC#N)Nc1ccc(C[NH3+])nc1 ZINC001172489553 974834868 /nfs/dbraw/zinc/83/48/68/974834868.db2.gz VBOGGSGCVCTJSA-JTQLQIEISA-N 1 0 218.304 2.035 20 30 BEEDRO C[C@@H](CCCC#N)Nc1cccnc1C[NH3+] ZINC001172489613 974835379 /nfs/dbraw/zinc/83/53/79/974835379.db2.gz WUNPGDSSONARSF-JTQLQIEISA-N 1 0 218.304 2.035 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cnc(Cl)cn1 ZINC001172491739 974839383 /nfs/dbraw/zinc/83/93/83/974839383.db2.gz IUDYSDAEOJWEBS-SECBINFHSA-N 1 0 238.722 2.302 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](CO)CC1 ZINC001172492154 974839994 /nfs/dbraw/zinc/83/99/94/974839994.db2.gz JBFJSSUXORLMCJ-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCO[C@@H](C)C1 ZINC001172493928 974842370 /nfs/dbraw/zinc/84/23/70/974842370.db2.gz POBDWJFFZVHWDA-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C1CC(C)(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)C1 ZINC001331866170 974843831 /nfs/dbraw/zinc/84/38/31/974843831.db2.gz LLJWQIVMOUGCFM-ZDUSSCGKSA-N 1 0 248.370 2.039 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001172494844 974845375 /nfs/dbraw/zinc/84/53/75/974845375.db2.gz YKRSYGDBKJCOMV-WDEREUQCSA-N 1 0 226.295 2.072 20 30 BEEDRO CC(C)OC1C[NH+]([C@H](C)CCCC#N)C1 ZINC001172497517 974848337 /nfs/dbraw/zinc/84/83/37/974848337.db2.gz CJVKPQQCAPXNKL-LLVKDONJSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001172497359 974848777 /nfs/dbraw/zinc/84/87/77/974848777.db2.gz BBVCRBQEVBZZSJ-YVECIDJPSA-N 1 0 222.332 2.035 20 30 BEEDRO CC(C)[N@H+](C)[C@H]1CCN([C@@H](C)CCCC#N)C1 ZINC001172499407 974851179 /nfs/dbraw/zinc/85/11/79/974851179.db2.gz WWBZAELUYBLXPW-KBPBESRZSA-N 1 0 237.391 2.483 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]12CCOC2 ZINC001172499334 974851216 /nfs/dbraw/zinc/85/12/16/974851216.db2.gz WGYQVLIOHBFHJR-QWHCGFSZSA-N 1 0 222.332 2.324 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172499255 974851394 /nfs/dbraw/zinc/85/13/94/974851394.db2.gz CJNGQTBVYRSXMM-CHWSQXEVSA-N 1 0 204.317 2.414 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCc2c(cc[nH]c2=O)C1 ZINC001172499314 974852249 /nfs/dbraw/zinc/85/22/49/974852249.db2.gz WDRSOUGVTBHPJR-NSHDSACASA-N 1 0 245.326 2.228 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)CCCC#N)C1 ZINC001172500191 974852462 /nfs/dbraw/zinc/85/24/62/974852462.db2.gz KGBHDQJNODBUJH-KBPBESRZSA-N 1 0 237.391 2.485 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)CCCC#N)C1 ZINC001172500199 974854888 /nfs/dbraw/zinc/85/48/88/974854888.db2.gz KGBHDQJNODBUJH-ZIAGYGMSSA-N 1 0 237.391 2.485 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)CCc1cccnc1 ZINC001331907757 974858485 /nfs/dbraw/zinc/85/84/85/974858485.db2.gz MGYLYBCTQWAZMP-GXTWGEPZSA-N 1 0 234.343 2.193 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)CCc1cccnc1 ZINC001331907760 974858811 /nfs/dbraw/zinc/85/88/11/974858811.db2.gz MGYLYBCTQWAZMP-TZMCWYRMSA-N 1 0 234.343 2.193 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2CCCC(=O)[C@@H]2C1 ZINC001172506498 974859872 /nfs/dbraw/zinc/85/98/72/974859872.db2.gz VACRQBSOUIYPTH-FRRDWIJNSA-N 1 0 234.343 2.370 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H](N(C)C)C1 ZINC001172507459 974862834 /nfs/dbraw/zinc/86/28/34/974862834.db2.gz UXXFHONQHATCQA-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO CCOC(=O)C[N@H+]([C@@H](C)CCCC#N)C1CC1 ZINC001172510238 974864032 /nfs/dbraw/zinc/86/40/32/974864032.db2.gz YAKWUIHRYLBAKO-NSHDSACASA-N 1 0 238.331 2.096 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](C(=O)OC)C2)C1 ZINC001172630494 974893750 /nfs/dbraw/zinc/89/37/50/974893750.db2.gz NUZBFEXSLLBTMV-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(C#N)ccn1 ZINC001331965990 974895659 /nfs/dbraw/zinc/89/56/59/974895659.db2.gz QTQFXXBZAIJFIF-SCVCMEIPSA-N 1 0 215.300 2.402 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC=CC2)C1 ZINC001331970398 974897313 /nfs/dbraw/zinc/89/73/13/974897313.db2.gz NHHIWTWFSSRATB-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH2+]C(C)C)C[C@@H]1C ZINC001332026325 974926750 /nfs/dbraw/zinc/92/67/50/974926750.db2.gz JUXICTTZCAGGNY-QWHCGFSZSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C(C)(C)C(=C)C)CC1 ZINC001277132973 974928462 /nfs/dbraw/zinc/92/84/62/974928462.db2.gz NIBIXWIRHVJWOD-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CCC(=O)OC(C)C ZINC001172759229 974932057 /nfs/dbraw/zinc/93/20/57/974932057.db2.gz ONARXANOCPCSQO-NSHDSACASA-N 1 0 213.321 2.225 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CCC(=O)OC(C)C ZINC001172759219 974934352 /nfs/dbraw/zinc/93/43/52/974934352.db2.gz ONARXANOCPCSQO-LLVKDONJSA-N 1 0 213.321 2.225 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895259 974963345 /nfs/dbraw/zinc/96/33/45/974963345.db2.gz BGABXHMAEXEWES-ZDUSSCGKSA-N 1 0 244.294 2.065 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@@H](OC)C2)C1 ZINC001172937588 974990924 /nfs/dbraw/zinc/99/09/24/974990924.db2.gz AWFVNBSMWRGOOK-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)C)C1 ZINC001332234969 975018821 /nfs/dbraw/zinc/01/88/21/975018821.db2.gz FKLISYMVKAPHNM-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[N@@H+](C)C1CCC(OCCC)CC1 ZINC001173100933 975022908 /nfs/dbraw/zinc/02/29/08/975022908.db2.gz ZJGNODCZKGTUPP-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO CCCOC1CCC([NH2+]CCC#N)CC1 ZINC001173086978 975023008 /nfs/dbraw/zinc/02/30/08/975023008.db2.gz XUBUNHFRGVQXGW-UHFFFAOYSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CCC[NH2+][C@H]1COc2cccc(OC)c2C1 ZINC001173150348 975048994 /nfs/dbraw/zinc/04/89/94/975048994.db2.gz BYUAFPDTGSNOBR-LLVKDONJSA-N 1 0 233.311 2.164 20 30 BEEDRO C[C@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)CC2)CCO1 ZINC001173173696 975052047 /nfs/dbraw/zinc/05/20/47/975052047.db2.gz QDRQDEKLLKFFBT-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1([NH2+]C(C)C)CC1 ZINC001277152120 975053637 /nfs/dbraw/zinc/05/36/37/975053637.db2.gz YNPUQJRUEWCNOJ-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232678 975076552 /nfs/dbraw/zinc/07/65/52/975076552.db2.gz FMRLWQPQPZPJRO-SNVBAGLBSA-N 1 0 220.272 2.301 20 30 BEEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCS ZINC001173211150 975076609 /nfs/dbraw/zinc/07/66/09/975076609.db2.gz PXSVCGDEFFKREY-VIFPVBQESA-N 1 0 240.328 2.045 20 30 BEEDRO CC[C@H]1CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NO)C1 ZINC001173270527 975141122 /nfs/dbraw/zinc/14/11/22/975141122.db2.gz BWDFLFSAXPBLCQ-TUAOUCFPSA-N 1 0 242.363 2.075 20 30 BEEDRO CCSC[C@H](C)N1CCC[C@H](C#N)C1 ZINC001173305690 975211189 /nfs/dbraw/zinc/21/11/89/975211189.db2.gz BGHFSXHODJDQIQ-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H]2C[C@H]2C)CC1 ZINC001173307969 975215455 /nfs/dbraw/zinc/21/54/55/975215455.db2.gz CDYQZOYRIQHVBF-XVSSEFHLSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCOC1CCC([NH2+]CCC#N)CC1 ZINC001173309689 975221536 /nfs/dbraw/zinc/22/15/36/975221536.db2.gz ZMJNXIHGKIXYPX-UHFFFAOYSA-N 1 0 208.305 2.003 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc2c1CCC2 ZINC001332612399 975229662 /nfs/dbraw/zinc/22/96/62/975229662.db2.gz KWQGYHUHEAOTCX-CQSZACIVSA-N 1 0 231.339 2.466 20 30 BEEDRO C=CCN1CC[NH+]([C@H]2CC[C@H](CC)C2)CC1 ZINC001173279360 975237070 /nfs/dbraw/zinc/23/70/70/975237070.db2.gz LFVUWEMZGQZEKL-KBPBESRZSA-N 1 0 222.376 2.369 20 30 BEEDRO CCSC[C@@H](C)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001173287940 975250595 /nfs/dbraw/zinc/25/05/95/975250595.db2.gz MUBZUUJXJJSOJG-SNVBAGLBSA-N 1 0 247.367 2.405 20 30 BEEDRO COCCC[NH2+]C1CCC(CC#N)CC1 ZINC001173324464 975270096 /nfs/dbraw/zinc/27/00/96/975270096.db2.gz NTPOXZCQDIIBGL-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)OCC[NH2+]C1CCC(CC#N)CC1 ZINC001173324065 975270730 /nfs/dbraw/zinc/27/07/30/975270730.db2.gz GYFOJASHEAMZFB-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CCC1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC001173324436 975271422 /nfs/dbraw/zinc/27/14/22/975271422.db2.gz NFKQQRZKTDANFZ-NWINJMCUSA-N 1 0 236.359 2.352 20 30 BEEDRO C=CCOC1CCC([N@H+]2CC[C@@H]2COC)CC1 ZINC001173325277 975275552 /nfs/dbraw/zinc/27/55/52/975275552.db2.gz ISCLHKYBMXGFOW-ROKHWSDSSA-N 1 0 239.359 2.221 20 30 BEEDRO N#CCC1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC001173327672 975276278 /nfs/dbraw/zinc/27/62/78/975276278.db2.gz FEASRTNRLXREKY-PQAZSJQKSA-N 1 0 236.359 2.352 20 30 BEEDRO N#CCC1CCC([NH2+]C2CSC2)CC1 ZINC001173329139 975278009 /nfs/dbraw/zinc/27/80/09/975278009.db2.gz BZWWULFDWBIXOX-UHFFFAOYSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)CCC)C(C)(C)C ZINC001332755265 975278037 /nfs/dbraw/zinc/27/80/37/975278037.db2.gz ZWEQPOIVRPIOOV-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC001173330280 975278805 /nfs/dbraw/zinc/27/88/05/975278805.db2.gz NFKQQRZKTDANFZ-CLRIEMFWSA-N 1 0 236.359 2.352 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC001173330122 975278848 /nfs/dbraw/zinc/27/88/48/975278848.db2.gz UTPYXCFNNCARNK-UHFFFAOYSA-N 1 0 245.326 2.349 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CCOC[C@@H]2F)CC1 ZINC001173329904 975279150 /nfs/dbraw/zinc/27/91/50/975279150.db2.gz LFVINMPGZYRYLP-TYUFSLCMSA-N 1 0 240.322 2.175 20 30 BEEDRO N#CCC1CCC([NH2+]CCC2COC2)CC1 ZINC001173330311 975279457 /nfs/dbraw/zinc/27/94/57/975279457.db2.gz OMRRQEFQULMRIB-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)N1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173332393 975282102 /nfs/dbraw/zinc/28/21/02/975282102.db2.gz MKKRNTIGTKORMP-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO CCCN1CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173339477 975285492 /nfs/dbraw/zinc/28/54/92/975285492.db2.gz PTBQPWJCKRUEPA-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CCCC[C@@H]([NH2+]C[C@H](O)CC#N)C1CCC1 ZINC001332841561 975291675 /nfs/dbraw/zinc/29/16/75/975291675.db2.gz ZVUMHHZPYBQXJJ-CHWSQXEVSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCOC1CCC([NH2+]CC2(O)CCC2)CC1 ZINC001173314711 975299107 /nfs/dbraw/zinc/29/91/07/975299107.db2.gz UNHSLHGWTKCAHY-UHFFFAOYSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CCOC1CCC([NH+]2CCC(=O)CC2)CC1 ZINC001173320286 975306997 /nfs/dbraw/zinc/30/69/97/975306997.db2.gz DYPALEWJKSBCTC-UHFFFAOYSA-N 1 0 237.343 2.165 20 30 BEEDRO C=CCOC1CCC([N@@H+]2CCCOCC2)CC1 ZINC001173319371 975307482 /nfs/dbraw/zinc/30/74/82/975307482.db2.gz HTQAEJNULOXUGF-UHFFFAOYSA-N 1 0 239.359 2.223 20 30 BEEDRO CCN1CC[C@@H]([NH2+]C23CCC(C#N)(CC2)CC3)C1 ZINC001173355379 975311015 /nfs/dbraw/zinc/31/10/15/975311015.db2.gz PSFXOUQGZHFXFF-WLYUNCDWSA-N 1 0 247.386 2.287 20 30 BEEDRO C#C[C@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCCO1 ZINC001332896863 975313077 /nfs/dbraw/zinc/31/30/77/975313077.db2.gz CYDZWMAIXPSQRX-GJZGRUSLSA-N 1 0 247.313 2.139 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1ccc(F)nc1)[C@@H]1CCCO1 ZINC001332897461 975313517 /nfs/dbraw/zinc/31/35/17/975313517.db2.gz LQKTUESYTJOUIP-WXHSDQCUSA-N 1 0 248.301 2.052 20 30 BEEDRO C=CC[N@@H+]([C@@H]1CCN(CC)C1)C(C)(C)C ZINC001173367047 975350457 /nfs/dbraw/zinc/35/04/57/975350457.db2.gz DJROIXVRZCHHBS-GFCCVEGCSA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cccc1C#N ZINC001227287011 975356637 /nfs/dbraw/zinc/35/66/37/975356637.db2.gz DSQOYIXIOCXQCF-SNVBAGLBSA-N 1 0 237.298 2.171 20 30 BEEDRO CCCCCCCNC(=O)CC(C)(C)C[NH3+] ZINC000721221604 975361570 /nfs/dbraw/zinc/36/15/70/975361570.db2.gz NDKAARORBUZORF-UHFFFAOYSA-N 1 0 228.380 2.448 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1ccns1 ZINC001333001913 975365495 /nfs/dbraw/zinc/36/54/95/975365495.db2.gz PVNUMUWFNBPCLQ-UHFFFAOYSA-N 1 0 208.330 2.029 20 30 BEEDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)cnc1C#N ZINC001227348735 975368713 /nfs/dbraw/zinc/36/87/13/975368713.db2.gz BGQPSYBNOFXTHW-LBPRGKRZSA-N 1 0 245.326 2.123 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173442064 975376033 /nfs/dbraw/zinc/37/60/33/975376033.db2.gz ZEQTYKFJEVCVDJ-NEPJUHHUSA-N 1 0 240.347 2.390 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+]CCCS ZINC001173440871 975377041 /nfs/dbraw/zinc/37/70/41/975377041.db2.gz JGCUQMVZSXJPRI-SNVBAGLBSA-N 1 0 233.377 2.018 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+]C1CC(C#N)C1 ZINC001173443214 975385896 /nfs/dbraw/zinc/38/58/96/975385896.db2.gz NVOSROIANLBWLA-UNXYVOJBSA-N 1 0 238.331 2.000 20 30 BEEDRO C#CC[NH+](CC#C)C1Cc2cc(F)c(F)cc2C1 ZINC001173481580 975386222 /nfs/dbraw/zinc/38/62/22/975386222.db2.gz NINYWPWZISXBAV-UHFFFAOYSA-N 1 0 245.272 2.000 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cnccn2)CC1 ZINC001173584856 975422763 /nfs/dbraw/zinc/42/27/63/975422763.db2.gz OJAJAZJWTGBXFW-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO COC(=O)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586707 975430054 /nfs/dbraw/zinc/43/00/54/975430054.db2.gz FHFMLMQBCYNQLT-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO Cn1cc(CC[NH2+]C2CCC(C)(C#N)CC2)cn1 ZINC001173589364 975431544 /nfs/dbraw/zinc/43/15/44/975431544.db2.gz VZHQDSDJBKBZEG-UHFFFAOYSA-N 1 0 246.358 2.025 20 30 BEEDRO Cc1ncc(C[NH2+]C2CCC(C)(C#N)CC2)cn1 ZINC001173586276 975432821 /nfs/dbraw/zinc/43/28/21/975432821.db2.gz MRXMJDFLLWYGSU-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC001173586683 975433114 /nfs/dbraw/zinc/43/31/14/975433114.db2.gz XGKCTHZSODHEGB-UHFFFAOYSA-N 1 0 245.326 2.349 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2CCOC[C@H]2F)CC1 ZINC001173589403 975434565 /nfs/dbraw/zinc/43/45/65/975434565.db2.gz XTOYKKIURHRVIS-QBHFIFKDSA-N 1 0 240.322 2.175 20 30 BEEDRO C[C@@H]1COCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173592125 975440467 /nfs/dbraw/zinc/44/04/67/975440467.db2.gz GYLVIYQRCYYCLI-PNESKVBLSA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C#N)CCC(Nc2ccc(C[NH3+])nc2)CC1 ZINC001173590303 975441680 /nfs/dbraw/zinc/44/16/80/975441680.db2.gz FQUVLDCLCCUBGF-UHFFFAOYSA-N 1 0 244.342 2.425 20 30 BEEDRO C[C@H]1C[N@@H+](C2CCC(C)(C#N)CC2)CC[C@@H]1O ZINC001173594259 975450839 /nfs/dbraw/zinc/45/08/39/975450839.db2.gz XHOGQZLAWKDYOT-AHPWVWPOSA-N 1 0 236.359 2.162 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCc2ccncn2)CC1 ZINC001173593988 975453590 /nfs/dbraw/zinc/45/35/90/975453590.db2.gz ZJBGSWRGAXSKCU-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173593165 975455102 /nfs/dbraw/zinc/45/51/02/975455102.db2.gz FBWQZGIJGZPFHA-ZIHBUVQPSA-N 1 0 236.359 2.304 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC001173594251 975461095 /nfs/dbraw/zinc/46/10/95/975461095.db2.gz XANFUIGWKXNCRS-MPEURRAXSA-N 1 0 204.317 2.411 20 30 BEEDRO C[C@H]1CC[C@@H](CO)[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173593383 975461129 /nfs/dbraw/zinc/46/11/29/975461129.db2.gz IBKGELIHSXDNTR-AHPWVWPOSA-N 1 0 236.359 2.304 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001173599147 975467202 /nfs/dbraw/zinc/46/72/02/975467202.db2.gz GQISVDLUOUBWGR-PNESKVBLSA-N 1 0 217.316 2.304 20 30 BEEDRO CN(C)C[C@@H]1CCC[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001173599203 975470295 /nfs/dbraw/zinc/47/02/95/975470295.db2.gz IDIGJJYNEGGRLE-SLTAFYQDSA-N 1 0 249.402 2.485 20 30 BEEDRO C#CC[NH+](CC#C)C1CCC(C)(C#N)CC1 ZINC001173601555 975477441 /nfs/dbraw/zinc/47/74/41/975477441.db2.gz VRSDXYXUJTWDKF-UHFFFAOYSA-N 1 0 214.312 2.027 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173629001 975493960 /nfs/dbraw/zinc/49/39/60/975493960.db2.gz VVBOKYAWPRUOMN-NWDGAFQWSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173717402 975528586 /nfs/dbraw/zinc/52/85/86/975528586.db2.gz PMZPZLLJKRCUKN-NWDGAFQWSA-N 1 0 245.322 2.016 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]1(C)CC1(C)C ZINC001333221232 975578638 /nfs/dbraw/zinc/57/86/38/975578638.db2.gz SIICAQNRXFRBAV-SKDRFNHKSA-N 1 0 244.766 2.009 20 30 BEEDRO C=CCCCC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC001333228347 975579244 /nfs/dbraw/zinc/57/92/44/975579244.db2.gz HMEMPLIEDNVKIT-UHFFFAOYSA-N 1 0 238.375 2.463 20 30 BEEDRO Cc1[nH+]c(C)n(C[C@H](C#N)CCC#N)c1C ZINC001333234349 975581501 /nfs/dbraw/zinc/58/15/01/975581501.db2.gz URDSIFPIYOMBFZ-LBPRGKRZSA-N 1 0 216.288 2.252 20 30 BEEDRO C=CCCC(=O)NCC1=CC[N@H+](C(C)C)CC1 ZINC001333311728 975638057 /nfs/dbraw/zinc/63/80/57/975638057.db2.gz QSMBGTUEMGDYEB-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC001333319580 975656538 /nfs/dbraw/zinc/65/65/38/975656538.db2.gz OMEHQXKXUUVTTR-CQSZACIVSA-N 1 0 248.370 2.429 20 30 BEEDRO Cc1cc(C)cc(C[N@H+](C)C[C@H](O)CC#N)c1 ZINC001333486349 975809492 /nfs/dbraw/zinc/80/94/92/975809492.db2.gz ZFKWALHZHUOUHC-CQSZACIVSA-N 1 0 232.327 2.010 20 30 BEEDRO N#Cc1cc2cccnc2nc1Nc1cc[nH+]cc1 ZINC001173879129 975908922 /nfs/dbraw/zinc/90/89/22/975908922.db2.gz HMCWVKTYKZXBNK-UHFFFAOYSA-N 1 0 247.261 2.062 20 30 BEEDRO Cc1csc(Nc2cc[nH+]cc2)c1C#N ZINC001173879523 975915077 /nfs/dbraw/zinc/91/50/77/975915077.db2.gz SYPWLKPEJWBVCC-UHFFFAOYSA-N 1 0 215.281 2.489 20 30 BEEDRO N#Cc1cccc(Nc2cc[nH+]cc2)c1F ZINC001173883477 975962170 /nfs/dbraw/zinc/96/21/70/975962170.db2.gz KQLQRGDWAZMVLY-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO N#CCc1cccc(Nc2cc[nH+]cc2)c1 ZINC001173884766 975964744 /nfs/dbraw/zinc/96/47/44/975964744.db2.gz QLDVQSXPAOMAAI-UHFFFAOYSA-N 1 0 209.252 2.313 20 30 BEEDRO CCCC[N@H+](C)CCNCC#Cc1ccccc1 ZINC001333670446 975971159 /nfs/dbraw/zinc/97/11/59/975971159.db2.gz HOOCEVUJLADHCZ-UHFFFAOYSA-N 1 0 244.382 2.360 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CCC)CCC=C ZINC001333718523 976018226 /nfs/dbraw/zinc/01/82/26/976018226.db2.gz ILRLZGAILOGQAF-QWHCGFSZSA-N 1 0 209.333 2.095 20 30 BEEDRO Cc1ccnc(O[C@@H]2CCC[N@@H+](C)CC2)c1C#N ZINC001228304719 976091413 /nfs/dbraw/zinc/09/14/13/976091413.db2.gz HKEQSHHCDYETRO-GFCCVEGCSA-N 1 0 245.326 2.125 20 30 BEEDRO C#Cc1cc(Nc2cccc(COC)c2)ccn1 ZINC001174091872 976280048 /nfs/dbraw/zinc/28/00/48/976280048.db2.gz KADZLGCJIATUEO-UHFFFAOYSA-N 1 0 238.290 2.375 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCC[C@@H]1C(=O)OC ZINC001334094804 976296689 /nfs/dbraw/zinc/29/66/89/976296689.db2.gz RZMULJCZTVQZAS-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1CF)[C@@H]1CCCO1 ZINC001334094781 976297211 /nfs/dbraw/zinc/29/72/11/976297211.db2.gz XZKAQBWVLAXZJM-CABCVRRESA-N 1 0 247.313 2.427 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(F)(F)F)[C@H]1CCCO1 ZINC001334096490 976300348 /nfs/dbraw/zinc/30/03/48/976300348.db2.gz IGACFZMHLWIKCA-NXEZZACHSA-N 1 0 235.249 2.099 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC001277314794 976351392 /nfs/dbraw/zinc/35/13/92/976351392.db2.gz RYDYCGWJAIOUCR-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO Cc1cccc(C#N)c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001229179760 976786751 /nfs/dbraw/zinc/78/67/51/976786751.db2.gz NRDQCUDCAUVYLA-CQSZACIVSA-N 1 0 242.322 2.340 20 30 BEEDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)ccc1C#N ZINC001229212636 976793895 /nfs/dbraw/zinc/79/38/95/976793895.db2.gz DYPMJFVKCDACMJ-HNNXBMFYSA-N 1 0 242.322 2.340 20 30 BEEDRO Cc1c[nH+]ccc1Nc1sccc1C#N ZINC001174536580 976816450 /nfs/dbraw/zinc/81/64/50/976816450.db2.gz ZOAJADGBKCAMIV-UHFFFAOYSA-N 1 0 215.281 2.489 20 30 BEEDRO Cc1c[nH+]ccc1Nc1nc(Cl)ccc1C#N ZINC001174536654 976818339 /nfs/dbraw/zinc/81/83/39/976818339.db2.gz RHHZBIOTJJVRNJ-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC001335054867 976838459 /nfs/dbraw/zinc/83/84/59/976838459.db2.gz GFECRJGOIUJLSY-OCCSQVGLSA-N 1 0 232.327 2.013 20 30 BEEDRO C[NH+](C)CCc1ccc(O[C@@H]2C=CC(=O)C2)cc1 ZINC001229658971 976934792 /nfs/dbraw/zinc/93/47/92/976934792.db2.gz CLQAGWLKKGSYBE-OAHLLOKOSA-N 1 0 245.322 2.067 20 30 BEEDRO C[C@H](CS)Oc1ccc(CC[NH+](C)C)cc1 ZINC001229660417 976935705 /nfs/dbraw/zinc/93/57/05/976935705.db2.gz SQQLHWJYLQXEBK-LLVKDONJSA-N 1 0 239.384 2.488 20 30 BEEDRO C[NH+](C)CCc1ccc(OC2CC(C#N)C2)cc1 ZINC001229658854 976935891 /nfs/dbraw/zinc/93/58/91/976935891.db2.gz BARCKQNSQWOARY-UHFFFAOYSA-N 1 0 244.338 2.472 20 30 BEEDRO Cc1cc(Nc2ccc(C#N)cc2O)cc[nH+]1 ZINC001174656076 976947475 /nfs/dbraw/zinc/94/74/75/976947475.db2.gz FSIUIKBNWGSEPY-UHFFFAOYSA-N 1 0 225.251 2.133 20 30 BEEDRO C[C@H](CS)Oc1ccccc1C[NH+](C)C ZINC001229700754 976955909 /nfs/dbraw/zinc/95/59/09/976955909.db2.gz CUQBXRCBLYEHCA-SNVBAGLBSA-N 1 0 225.357 2.445 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001354698693 1170012267 /nfs/dbraw/zinc/01/22/67/1170012267.db2.gz XBVSUAJOVFSNMA-UWVGGRQHSA-N 1 0 235.249 2.051 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1(C)CC1 ZINC001335365979 977001015 /nfs/dbraw/zinc/00/10/15/977001015.db2.gz FDGCGCLPQUPIGN-GHMZBOCLSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001174782648 977004371 /nfs/dbraw/zinc/00/43/71/977004371.db2.gz ITVYGJQZVGAKJP-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC001335397365 977030066 /nfs/dbraw/zinc/03/00/66/977030066.db2.gz FYRUAFAUSYICHN-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO CSC(C)(C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001335398429 977031289 /nfs/dbraw/zinc/03/12/89/977031289.db2.gz PISUQQAROWPLPR-SNVBAGLBSA-N 1 0 244.404 2.018 20 30 BEEDRO CCC1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CCC1 ZINC001335423219 977043246 /nfs/dbraw/zinc/04/32/46/977043246.db2.gz XHUSAGKITPANGR-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[N@H+](CCNc1cc(C)cc(C#N)n1)C(C)C ZINC001335423826 977043903 /nfs/dbraw/zinc/04/39/03/977043903.db2.gz KYBIFXUGPYWFIV-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC001335441229 977058071 /nfs/dbraw/zinc/05/80/71/977058071.db2.gz NPBDAWJMWXVLPK-HIFRSBDPSA-N 1 0 231.339 2.035 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CC23CCCCC3)CC1 ZINC001335442953 977062198 /nfs/dbraw/zinc/06/21/98/977062198.db2.gz CEZQLPSMDZQBHF-OLZOCXBDSA-N 1 0 248.370 2.354 20 30 BEEDRO C[NH+](C)C1CCC(Oc2cccc(C#N)n2)CC1 ZINC001230043767 977104847 /nfs/dbraw/zinc/10/48/47/977104847.db2.gz RURDPHJSKYSVJQ-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C1(CCC)CCC1 ZINC001491555705 977116506 /nfs/dbraw/zinc/11/65/06/977116506.db2.gz SSNHCIRDTDYCFT-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CCC#C[C@H](C)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230514715 977225556 /nfs/dbraw/zinc/22/55/56/977225556.db2.gz CKOLYCQBOSKYGK-VIFPVBQESA-N 1 0 229.283 2.326 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1ccc(C)cc1C ZINC001175099103 977249832 /nfs/dbraw/zinc/24/98/32/977249832.db2.gz XOGXHWZTFYRAEM-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)c1cccc(C)c1 ZINC001335933966 977369010 /nfs/dbraw/zinc/36/90/10/977369010.db2.gz OVDDVVIBTHGCET-ZDUSSCGKSA-N 1 0 205.301 2.194 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(\C)C1CC1 ZINC001230949013 977393277 /nfs/dbraw/zinc/39/32/77/977393277.db2.gz SJZZUUPADYPUAP-WONIAPNHSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C(/C)C1CC1 ZINC001230949011 977393595 /nfs/dbraw/zinc/39/35/95/977393595.db2.gz SJZZUUPADYPUAP-HCYCVZQXSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)CC(C)C ZINC001231320510 977569571 /nfs/dbraw/zinc/56/95/71/977569571.db2.gz ZGBJMMYRKPLUCC-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CCN(CC#CCOC)Cc1ccccc1F ZINC001336227589 977585707 /nfs/dbraw/zinc/58/57/07/977585707.db2.gz IEQSPMHCPBZMEQ-UHFFFAOYSA-N 1 0 235.302 2.297 20 30 BEEDRO C#Cc1cccc(NC2=CCC[N@@H+](C)C2)c1 ZINC001175577103 977586206 /nfs/dbraw/zinc/58/62/06/977586206.db2.gz WAGMVCOAZZAGSV-UHFFFAOYSA-N 1 0 212.296 2.299 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C[NH+](CC)CC ZINC001336237353 977588304 /nfs/dbraw/zinc/58/83/04/977588304.db2.gz AJWHZLFEXUGXHH-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1ccc(NC2=CCC[N@@H+](C)C2)cc1C#N ZINC001175580151 977593291 /nfs/dbraw/zinc/59/32/91/977593291.db2.gz VJJDRCLFTJVQGN-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc(F)cc1C ZINC001336252336 977595858 /nfs/dbraw/zinc/59/58/58/977595858.db2.gz CGKULNKLJJHVDA-UHFFFAOYSA-N 1 0 220.291 2.422 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491516 977612330 /nfs/dbraw/zinc/61/23/30/977612330.db2.gz SFRAJWMMRCZTSH-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CCOc1cccc(C[N@H+](C)CC2COC2)c1 ZINC001231624006 977645727 /nfs/dbraw/zinc/64/57/27/977645727.db2.gz CTXCELDEGSBQEW-UHFFFAOYSA-N 1 0 247.338 2.330 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC001231655846 977664551 /nfs/dbraw/zinc/66/45/51/977664551.db2.gz CAIYLLNRNZAJRG-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#CC[NH+]1CCC(Nc2ccc(CC)cn2)CC1 ZINC001336416346 977671456 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/nfs/dbraw/zinc/83/59/27/977835927.db2.gz XIROFWHAZDNFFT-UHFFFAOYSA-N 1 0 228.255 2.057 20 30 BEEDRO N#Cc1ccc(Nc2ccc(C[NH3+])cc2)c(O)c1 ZINC001175971443 977837890 /nfs/dbraw/zinc/83/78/90/977837890.db2.gz HTNXWDSMSXGULO-UHFFFAOYSA-N 1 0 239.278 2.466 20 30 BEEDRO N#Cc1cc(N)ccc1Nc1ccc(C[NH3+])cc1 ZINC001175971402 977838609 /nfs/dbraw/zinc/83/86/09/977838609.db2.gz FXMKLOSCMXQAJJ-UHFFFAOYSA-N 1 0 238.294 2.343 20 30 BEEDRO COc1ccc(Nc2[nH]cc[nH+]2)cc1C#N ZINC001176084514 977883781 /nfs/dbraw/zinc/88/37/81/977883781.db2.gz OTBNVGKEKCFBSZ-UHFFFAOYSA-N 1 0 214.228 2.034 20 30 BEEDRO COc1cc(Nc2[nH]cc[nH+]2)ccc1C#N ZINC001176084787 977883822 /nfs/dbraw/zinc/88/38/22/977883822.db2.gz WKWRKXZZYXFPFI-UHFFFAOYSA-N 1 0 214.228 2.034 20 30 BEEDRO Cc1cc(C#N)cc(C#N)c1Nc1[nH]cc[nH+]1 ZINC001176084433 977884639 /nfs/dbraw/zinc/88/46/39/977884639.db2.gz QAPBVSRFYXWHQQ-UHFFFAOYSA-N 1 0 223.239 2.205 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cc3ccncc3[nH]2)C1 ZINC001232095634 977893072 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/nfs/dbraw/zinc/39/90/38/978399038.db2.gz KGYZYDNDQXXQSP-UHFFFAOYSA-N 1 0 229.327 2.434 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2ncccc2C)CC1 ZINC001337567283 978412030 /nfs/dbraw/zinc/41/20/30/978412030.db2.gz SNIQGBHCEIWLNL-UHFFFAOYSA-N 1 0 245.370 2.130 20 30 BEEDRO C#C[C@H](CC(C)C)OCC[NH+]1CCCC1 ZINC001206309489 978420908 /nfs/dbraw/zinc/42/09/08/978420908.db2.gz RZZFTPGFJMTBMW-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO N#Cc1cc[nH]c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001233045682 978424054 /nfs/dbraw/zinc/42/40/54/978424054.db2.gz HLLGCVUUOOCNHJ-RYUDHWBXSA-N 1 0 215.300 2.118 20 30 BEEDRO C=CCC[NH2+]CCCCCCNC(=O)C(F)F ZINC001177716991 978424569 /nfs/dbraw/zinc/42/45/69/978424569.db2.gz NTMFZHGHKWUERM-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO COCC[C@@H]1CCCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233043152 978425341 /nfs/dbraw/zinc/42/53/41/978425341.db2.gz AGCCDAHOYHVPIO-ZDUSSCGKSA-N 1 0 247.342 2.277 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)c1cccc(C)c1 ZINC001277753247 978426814 /nfs/dbraw/zinc/42/68/14/978426814.db2.gz USZYMOPMIILWIC-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2[nH]ccc2C#N)C2(CC2)C1 ZINC001233048570 978435502 /nfs/dbraw/zinc/43/55/02/978435502.db2.gz HTCGUMSADFPHQQ-JTQLQIEISA-N 1 0 215.300 2.261 20 30 BEEDRO CC(C)[N@H+](CCCCCO)Cc1[nH]ccc1C#N ZINC001233048668 978437084 /nfs/dbraw/zinc/43/70/84/978437084.db2.gz JAFDWVCDQIFEQU-UHFFFAOYSA-N 1 0 249.358 2.259 20 30 BEEDRO CO[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2C)C1 ZINC001233083737 978464309 /nfs/dbraw/zinc/46/43/09/978464309.db2.gz YXSIVVIXGHRMSG-GFCCVEGCSA-N 1 0 244.338 2.333 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCN(C(C)=O)[C@H]1C ZINC001177987159 978494616 /nfs/dbraw/zinc/49/46/16/978494616.db2.gz VJAQGOMXNOFMNO-JSGCOSHPSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCC(C)C)[C@H]1C ZINC001178101729 978505021 /nfs/dbraw/zinc/50/50/21/978505021.db2.gz FDQMNNOKGDFQPN-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)/C(C)=C\C)[C@H]1C ZINC001178447705 978565326 /nfs/dbraw/zinc/56/53/26/978565326.db2.gz TZRYLLXLRBBANI-ISGXEFFDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C=C2CCC2)[C@H]1C ZINC001178459551 978571506 /nfs/dbraw/zinc/57/15/06/978571506.db2.gz TWTWDSRMUZIGQD-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500504 978616107 /nfs/dbraw/zinc/61/61/07/978616107.db2.gz JSXWASUFIDKCPS-DANTVBBOSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H](COC)[NH2+]C[C@H]1CCOc2ccccc21 ZINC001338168761 978624414 /nfs/dbraw/zinc/62/44/14/978624414.db2.gz VHFWHXSCMBPNIH-CHWSQXEVSA-N 1 0 247.338 2.343 20 30 BEEDRO C#CCN(C)Cc1cn2c(cccc2Cl)n1 ZINC001233599766 978645739 /nfs/dbraw/zinc/64/57/39/978645739.db2.gz ONNXWSRHKFIHBZ-UHFFFAOYSA-N 1 0 233.702 2.053 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC)C1 ZINC000722020012 978652077 /nfs/dbraw/zinc/65/20/77/978652077.db2.gz MBJICSLEJIOORJ-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)CCC ZINC001277797586 978658454 /nfs/dbraw/zinc/65/84/54/978658454.db2.gz RXTDUTNPLWHKHB-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)CCC(C)C ZINC001233696833 978674630 /nfs/dbraw/zinc/67/46/30/978674630.db2.gz RGERCPFEYZIOFA-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC ZINC000722022050 978693087 /nfs/dbraw/zinc/69/30/87/978693087.db2.gz SKYFMCYRHVVVTG-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC000722022045 978694204 /nfs/dbraw/zinc/69/42/04/978694204.db2.gz SKYFMCYRHVVVTG-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C/C=C(\C)C=C)[C@H]1C ZINC001179351844 978695204 /nfs/dbraw/zinc/69/52/04/978695204.db2.gz VPNQDSXWNUJFKB-DUYRLRNSSA-N 1 0 248.370 2.274 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+]CC1(C#N)CCCC1 ZINC001338535058 978701610 /nfs/dbraw/zinc/70/16/10/978701610.db2.gz RBLUQUOPWXJQFS-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C#Cc1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)nc1 ZINC001233966070 978742195 /nfs/dbraw/zinc/74/21/95/978742195.db2.gz POSDVANOSWRWGE-AWEZNQCLSA-N 1 0 244.338 2.315 20 30 BEEDRO C#Cc1ccc(O[C@@H](C)C[NH+](CC)CC)nc1 ZINC001233968074 978743421 /nfs/dbraw/zinc/74/34/21/978743421.db2.gz UNIYOAYUWDYTFC-LBPRGKRZSA-N 1 0 232.327 2.172 20 30 BEEDRO C#CCc1ccc(OCCC[NH+](C)C)cc1 ZINC001249948699 978755257 /nfs/dbraw/zinc/75/52/57/978755257.db2.gz AKWVLSRMZMQGRT-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)C(C)C ZINC001234082642 978765966 /nfs/dbraw/zinc/76/59/66/978765966.db2.gz XNMADILSIJEWGV-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCCCCN1C[C@H]([NH3+])C[C@H](F)C1 ZINC001206404413 978784880 /nfs/dbraw/zinc/78/48/80/978784880.db2.gz KVPIIRBNGUPNTD-NWDGAFQWSA-N 1 0 214.328 2.104 20 30 BEEDRO C=CCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001249953271 978806196 /nfs/dbraw/zinc/80/61/96/978806196.db2.gz ZLDHHIWWTMEOCV-UHFFFAOYSA-N 1 0 216.328 2.167 20 30 BEEDRO C=CCc1ccc(N2CC[NH+](C)CC2)cc1OC ZINC001249954557 978811481 /nfs/dbraw/zinc/81/14/81/978811481.db2.gz ODCIDYYEDBDTLQ-UHFFFAOYSA-N 1 0 246.354 2.176 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)C(C)(C)C ZINC001180127410 978833120 /nfs/dbraw/zinc/83/31/20/978833120.db2.gz YGNDMRRXSWTCFT-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C)n[nH]1 ZINC001339391911 978846481 /nfs/dbraw/zinc/84/64/81/978846481.db2.gz CZCSGNPUBXAVOM-GFCCVEGCSA-N 1 0 205.305 2.259 20 30 BEEDRO C#Cc1ccc(N[C@@H](CC)C[NH+]2CCCC2)nc1 ZINC001339579747 978873295 /nfs/dbraw/zinc/87/32/95/978873295.db2.gz WGDXUHMXXPYTKZ-AWEZNQCLSA-N 1 0 243.354 2.349 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)/C(C)=C/CC ZINC001234967151 978939842 /nfs/dbraw/zinc/93/98/42/978939842.db2.gz OVHLHPADJSMVBV-UKTHLTGXSA-N 1 0 238.375 2.357 20 30 BEEDRO CCCCCCCN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235036602 978959136 /nfs/dbraw/zinc/95/91/36/978959136.db2.gz AJZIVVHTUKIWDN-QWHCGFSZSA-N 1 0 210.365 2.393 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC001340077978 978965325 /nfs/dbraw/zinc/96/53/25/978965325.db2.gz JHEBRCAKLGVACJ-VXGBXAGGSA-N 1 0 238.375 2.365 20 30 BEEDRO CCCCCCCC[C@H]([NH3+])C(=O)N(C)OC ZINC001340130000 978975769 /nfs/dbraw/zinc/97/57/69/978975769.db2.gz XQTRTNBBSUAIAM-NSHDSACASA-N 1 0 230.352 2.084 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCCCC)C1 ZINC001181028833 978992437 /nfs/dbraw/zinc/99/24/37/978992437.db2.gz CXVCTHJSOUUZMP-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCOc1ccccc1CN1CC[NH2+]C[C@@H]1C ZINC001235361512 979034286 /nfs/dbraw/zinc/03/42/86/979034286.db2.gz GGUSIFWSXDNFNL-ZDUSSCGKSA-N 1 0 246.354 2.045 20 30 BEEDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235524235 979066533 /nfs/dbraw/zinc/06/65/33/979066533.db2.gz CXNBPWAFYRKNEL-CQSZACIVSA-N 1 0 242.322 2.164 20 30 BEEDRO N#CCc1ccccc1CN1CC[C@@H](C#N)C1 ZINC001235530112 979070496 /nfs/dbraw/zinc/07/04/96/979070496.db2.gz QMJVBDODRKOORQ-LBPRGKRZSA-N 1 0 225.295 2.098 20 30 BEEDRO C[N@H+](Cc1ccccc1CC#N)[C@H]1CCCOC1 ZINC001235528769 979074131 /nfs/dbraw/zinc/07/41/31/979074131.db2.gz SYIXOMXCRTWDPC-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO C[N@H+](Cc1ccccc1CC#N)[C@@H]1CCCOC1 ZINC001235528770 979074683 /nfs/dbraw/zinc/07/46/83/979074683.db2.gz SYIXOMXCRTWDPC-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC001340755624 979091280 /nfs/dbraw/zinc/09/12/80/979091280.db2.gz SCVIGIRDWKREJD-AGIUHOORSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C(C)C)C1 ZINC001340769077 979101659 /nfs/dbraw/zinc/10/16/59/979101659.db2.gz TYPIVSUFVJASQD-OLZOCXBDSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(C)CCC(=O)N1[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]1C ZINC001340772788 979104340 /nfs/dbraw/zinc/10/43/40/979104340.db2.gz XPMVYUJGWCHYAT-AGIUHOORSA-N 1 0 238.375 2.282 20 30 BEEDRO CCCCCCCCN1CCN[C@H](C#N)C1 ZINC001235914627 979200993 /nfs/dbraw/zinc/20/09/93/979200993.db2.gz WBZDFMPHEYSLCM-CYBMUJFWSA-N 1 0 223.364 2.144 20 30 BEEDRO C=CCCCCCCCN1CCN[C@H](C#N)C1 ZINC001235912618 979202039 /nfs/dbraw/zinc/20/20/39/979202039.db2.gz GREZOYLSUUAMCX-CQSZACIVSA-N 1 0 235.375 2.310 20 30 BEEDRO CC(C)=CCC[C@H](C)CN1CCN[C@H](C#N)C1 ZINC001235912461 979202084 /nfs/dbraw/zinc/20/20/84/979202084.db2.gz FEKRIENTACSIFT-UONOGXRCSA-N 1 0 235.375 2.166 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001181831964 979325289 /nfs/dbraw/zinc/32/52/89/979325289.db2.gz DGEWAFRELGKTTL-VBROQKIQSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C(C)C)C1CC1 ZINC001341400852 979375941 /nfs/dbraw/zinc/37/59/41/979375941.db2.gz KYPGVJQVESAGSW-QWHCGFSZSA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCCCCC[N@H+]1C[C@@H](C)[C@@H]([NH3+])C1 ZINC001236092993 979384124 /nfs/dbraw/zinc/38/41/24/979384124.db2.gz CIXSKOPOLOONFA-OLZOCXBDSA-N 1 0 210.365 2.402 20 30 BEEDRO CCCCCCCC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001341454745 979409608 /nfs/dbraw/zinc/40/96/08/979409608.db2.gz YHFGFVLDNYQWQN-HAQNSBGRSA-N 1 0 226.364 2.200 20 30 BEEDRO CCc1cc(CN(CC)CC[NH2+]C)ccc1C#N ZINC001236145873 979413352 /nfs/dbraw/zinc/41/33/52/979413352.db2.gz NXAXQWDHLWATEC-UHFFFAOYSA-N 1 0 245.370 2.162 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C)cc(N)c1 ZINC001341510230 979442994 /nfs/dbraw/zinc/44/29/94/979442994.db2.gz ZFITWEJVZKDJBO-ZDUSSCGKSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC001341512495 979444560 /nfs/dbraw/zinc/44/45/60/979444560.db2.gz DWMFRDPHXSFPIT-YPMHNXCESA-N 1 0 246.354 2.403 20 30 BEEDRO C#Cc1cccc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001236216192 979455267 /nfs/dbraw/zinc/45/52/67/979455267.db2.gz IWOQYPJXYQQKNH-HZPDHXFCSA-N 1 0 242.366 2.370 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(C)C)C2 ZINC001110256736 979470139 /nfs/dbraw/zinc/47/01/39/979470139.db2.gz KSJAIFHYIKHTID-MCIONIFRSA-N 1 0 248.370 2.250 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C=C(C)C)C2 ZINC001110256268 979470417 /nfs/dbraw/zinc/47/04/17/979470417.db2.gz DMOXMESHKRLMMJ-MCIONIFRSA-N 1 0 248.370 2.250 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[N@H+](C)CCO)CC1 ZINC001236253613 979472298 /nfs/dbraw/zinc/47/22/98/979472298.db2.gz QKXDNDHZKNCGKY-CYBMUJFWSA-N 1 0 209.333 2.213 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[NH2+]C[C@H]32)CC1 ZINC001236281836 979485031 /nfs/dbraw/zinc/48/50/31/979485031.db2.gz FJZRFWVRCCUUQA-QLFBSQMISA-N 1 0 232.371 2.193 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)/C(C)=C\C)C1 ZINC001111689821 979484963 /nfs/dbraw/zinc/48/49/63/979484963.db2.gz SGNABQZNOFIXAJ-QONGFETOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[NH2+][C@@H]3C2)CC1 ZINC001236284372 979488600 /nfs/dbraw/zinc/48/86/00/979488600.db2.gz OMCRYSPRYNNJOQ-RBSFLKMASA-N 1 0 232.371 2.193 20 30 BEEDRO C[C@H]([NH3+])CN1CCC(C#Cc2ccccc2)CC1 ZINC001236303550 979508035 /nfs/dbraw/zinc/50/80/35/979508035.db2.gz RPXOACKXGBXGNO-AWEZNQCLSA-N 1 0 242.366 2.097 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1COC(C)(C)N1)C(C)(C)C ZINC001236307488 979510256 /nfs/dbraw/zinc/51/02/56/979510256.db2.gz CDOKFIVTWRUCFK-LBPRGKRZSA-N 1 0 240.391 2.388 20 30 BEEDRO C=CCCO[C@@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001341671328 979516843 /nfs/dbraw/zinc/51/68/43/979516843.db2.gz MBDRIZNMOGMMIH-NSHDSACASA-N 1 0 248.326 2.065 20 30 BEEDRO C=CCCO[C@H](C)C(=O)Nc1ccccc1C[NH3+] ZINC001341671326 979518213 /nfs/dbraw/zinc/51/82/13/979518213.db2.gz MBDRIZNMOGMMIH-LLVKDONJSA-N 1 0 248.326 2.065 20 30 BEEDRO C=CCCCCN(CCC)[C@H]1CC[NH2+]C1 ZINC001236321580 979532328 /nfs/dbraw/zinc/53/23/28/979532328.db2.gz DOCIAVCDYPYSBN-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CC(C)(C)CC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001341780598 979557792 /nfs/dbraw/zinc/55/77/92/979557792.db2.gz MIGLTCGGTLYVEZ-UTUOFQBUSA-N 1 0 238.375 2.186 20 30 BEEDRO COc1ccc(C#N)cc1-c1cccc(C[NH3+])n1 ZINC001236536643 979618868 /nfs/dbraw/zinc/61/88/68/979618868.db2.gz YKHQGYHAWCUBBT-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#C[C@@H]([NH2+]CCSC(C)C)C1CCOCC1 ZINC001182991570 979691664 /nfs/dbraw/zinc/69/16/64/979691664.db2.gz XDVZUBHXCSWQSP-CYBMUJFWSA-N 1 0 241.400 2.146 20 30 BEEDRO C#C[C@@H](CO)[NH2+][C@@H](C)CCCCCC=C ZINC001183102751 979733774 /nfs/dbraw/zinc/73/37/74/979733774.db2.gz GBLLDGSVPWOWDI-STQMWFEESA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCCCN(CC)C(=O)CCCCC[NH3+] ZINC001342257449 979735708 /nfs/dbraw/zinc/73/57/08/979735708.db2.gz UHGMTBDJDQCLAU-UHFFFAOYSA-N 1 0 226.364 2.320 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001342279714 979753874 /nfs/dbraw/zinc/75/38/74/979753874.db2.gz WGTCFERXRWDFNH-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOc1cccc(CN(C)C[C@@H]([NH3+])CC)c1 ZINC001236871023 979775431 /nfs/dbraw/zinc/77/54/31/979775431.db2.gz WGCPJMPPTUIGFO-AWEZNQCLSA-N 1 0 248.370 2.421 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@]1(C)CC1(C)C ZINC001342458960 979806324 /nfs/dbraw/zinc/80/63/24/979806324.db2.gz UGWPCNNUJVSCFQ-BXUZGUMPSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC[N@@H+](CCc1ccc(F)cc1)C1CSC1 ZINC001183418733 979828483 /nfs/dbraw/zinc/82/84/83/979828483.db2.gz DNSQMARGXAHMIJ-UHFFFAOYSA-N 1 0 249.354 2.419 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001183662813 979870336 /nfs/dbraw/zinc/87/03/36/979870336.db2.gz LYBRFLXAPAMYAB-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)CC(C)(C)C)C1 ZINC001183800781 979888341 /nfs/dbraw/zinc/88/83/41/979888341.db2.gz PIRPHCZMIWTREY-KBPBESRZSA-N 1 0 236.403 2.498 20 30 BEEDRO C=CCN(C)Cc1cc(C#N)c(F)cc1F ZINC001237529538 979930577 /nfs/dbraw/zinc/93/05/77/979930577.db2.gz GKXRVAHYJVQDBX-UHFFFAOYSA-N 1 0 222.238 2.454 20 30 BEEDRO CCC[N@H+](CC)Cc1cn2cc(C#N)ccc2n1 ZINC001237603139 979966925 /nfs/dbraw/zinc/96/69/25/979966925.db2.gz IQMOOKRIXJNLJX-UHFFFAOYSA-N 1 0 242.326 2.438 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237603737 979966971 /nfs/dbraw/zinc/96/69/71/979966971.db2.gz FZQQVKFQJWVUDJ-NSHDSACASA-N 1 0 242.326 2.436 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]([NH3+])CC(=C)Cl ZINC001343125438 980018676 /nfs/dbraw/zinc/01/86/76/980018676.db2.gz SITQBVQNGXTWMB-NSHDSACASA-N 1 0 244.766 2.271 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC001343165153 980027869 /nfs/dbraw/zinc/02/78/69/980027869.db2.gz DDYLKTFIODLKRH-GFCCVEGCSA-N 1 0 232.327 2.157 20 30 BEEDRO C=CC(C)(C)NC(=O)c1cccc2c1CC[NH2+]C2 ZINC001343166523 980029877 /nfs/dbraw/zinc/02/98/77/980029877.db2.gz TZTMVWZLXDJPSV-UHFFFAOYSA-N 1 0 244.338 2.027 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CC1CC([NH3+])C1 ZINC001343232003 980043979 /nfs/dbraw/zinc/04/39/79/980043979.db2.gz BYXHCMSNUPJPNG-BPCQOVAHSA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccnc1N(C)C ZINC001343274836 980051275 /nfs/dbraw/zinc/05/12/75/980051275.db2.gz JQOSFEAVBQDADE-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C)n1 ZINC001343355047 980077659 /nfs/dbraw/zinc/07/76/59/980077659.db2.gz VXMIKFXLKKNFGX-NSHDSACASA-N 1 0 233.315 2.012 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001343433166 980107696 /nfs/dbraw/zinc/10/76/96/980107696.db2.gz LLNIECXOXHFCBU-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CC[NH+](C)C ZINC001250159832 980115816 /nfs/dbraw/zinc/11/58/16/980115816.db2.gz MKZBWYFAHRSHRH-UHFFFAOYSA-N 1 0 202.301 2.279 20 30 BEEDRO Cc1cc(CCC[NH+](C)C)ccc1C#N ZINC001250163975 980120654 /nfs/dbraw/zinc/12/06/54/980120654.db2.gz BYNOELYSZQXXSO-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO N#Cc1cc(F)ccc1CC[NH+]1CCCC1 ZINC001250165909 980134464 /nfs/dbraw/zinc/13/44/64/980134464.db2.gz ALCHHAKHMPTHCT-UHFFFAOYSA-N 1 0 218.275 2.336 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001184980970 980158432 /nfs/dbraw/zinc/15/84/32/980158432.db2.gz CDXXEERYYFKTDN-WTWVRAIASA-N 1 0 248.370 2.275 20 30 BEEDRO CCN(CCC#N)Cc1cccc2c[nH+]cn21 ZINC001238111975 980158581 /nfs/dbraw/zinc/15/85/81/980158581.db2.gz AGOYPZWYACAWPJ-UHFFFAOYSA-N 1 0 228.299 2.070 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC001185064030 980164443 /nfs/dbraw/zinc/16/44/43/980164443.db2.gz KGVNKTGIROIHAX-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC001185064417 980164861 /nfs/dbraw/zinc/16/48/61/980164861.db2.gz NWHNPNCKQRREER-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH2+]CCCC)C1 ZINC001185312849 980213948 /nfs/dbraw/zinc/21/39/48/980213948.db2.gz BXKXHTOMJIZRTO-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CN(CCC#N)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238196754 980224521 /nfs/dbraw/zinc/22/45/21/980224521.db2.gz VBWPXDCTKLTQMB-UHFFFAOYSA-N 1 0 240.310 2.422 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/CC)[C@H]1C ZINC001278235220 980267846 /nfs/dbraw/zinc/26/78/46/980267846.db2.gz WSDPLPXDRHGEEY-ACMJRCFVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC ZINC001110371337 980293018 /nfs/dbraw/zinc/29/30/18/980293018.db2.gz JILCLUXVPCRDJN-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CCO[C@H](C)C1 ZINC001343959316 980292895 /nfs/dbraw/zinc/29/28/95/980292895.db2.gz GGDXDCJZPYCXFP-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC[C@H](C)CC ZINC001343987586 980307983 /nfs/dbraw/zinc/30/79/83/980307983.db2.gz UOTQSBQOKCPRLR-NEPJUHHUSA-N 1 0 226.364 2.222 20 30 BEEDRO CCc1cc(C[N@@H+]2CCC[C@@H](O)C2)ccc1C#N ZINC001238762137 980319451 /nfs/dbraw/zinc/31/94/51/980319451.db2.gz AVCRRTRWWZHVKC-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO CCc1cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)ccc1C#N ZINC001238767409 980321844 /nfs/dbraw/zinc/32/18/44/980321844.db2.gz UVFOQKNCIWDLKI-ABAIWWIYSA-N 1 0 244.338 2.076 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@](C)(CO)C1 ZINC001344123580 980353339 /nfs/dbraw/zinc/35/33/39/980353339.db2.gz IRGHQSOMSHQWFE-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC=C ZINC001110379021 980358915 /nfs/dbraw/zinc/35/89/15/980358915.db2.gz SBBJDENLPQIWPZ-MCIONIFRSA-N 1 0 248.370 2.250 20 30 BEEDRO Cc1cc(C2=CCC[NH2+]CC2)ncc1C#N ZINC001238934547 980370552 /nfs/dbraw/zinc/37/05/52/980370552.db2.gz AHLVFQJXPXJAOO-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)[C@@H](C)C2CCC2)CC1 ZINC001344373063 980378998 /nfs/dbraw/zinc/37/89/98/980378998.db2.gz IMQKSYBOSRPESI-LBPRGKRZSA-N 1 0 249.354 2.063 20 30 BEEDRO N#Cc1c(F)cccc1C1=CCC[NH2+]CC1 ZINC001238940689 980379801 /nfs/dbraw/zinc/37/98/01/980379801.db2.gz UWCXTFYJLNRDBL-UHFFFAOYSA-N 1 0 216.259 2.464 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCC(C)(C)C)C1 ZINC001186458152 980383412 /nfs/dbraw/zinc/38/34/12/980383412.db2.gz FMSZMGQDXVQIQK-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)Cc1ccc(N2CC[NH2+]CC2)cc1OC ZINC001250246840 980411022 /nfs/dbraw/zinc/41/10/22/980411022.db2.gz ZCLNYVZXJRQMEK-UHFFFAOYSA-N 1 0 246.354 2.223 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C(C)(CC)CC ZINC001151594085 980456362 /nfs/dbraw/zinc/45/63/62/980456362.db2.gz XKAKQQYJYNQKDO-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO CCCCCCCCNC(=O)N[C@@H](CC)C[NH3+] ZINC001239234727 980502554 /nfs/dbraw/zinc/50/25/54/980502554.db2.gz OYJXMIAVKPHFKI-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCCOC(=O)NC1C[NH2+]C1 ZINC001239318090 980527800 /nfs/dbraw/zinc/52/78/00/980527800.db2.gz LBGYBMJQWYOILX-UHFFFAOYSA-N 1 0 228.336 2.045 20 30 BEEDRO CCCCCCCOC(=O)NC(C)(C)C[NH3+] ZINC001239320856 980531235 /nfs/dbraw/zinc/53/12/35/980531235.db2.gz FWINZFNMZGFMPH-UHFFFAOYSA-N 1 0 230.352 2.420 20 30 BEEDRO CCCCCCCOC(=O)NCC[C@H](C)[NH3+] ZINC001239322157 980532190 /nfs/dbraw/zinc/53/21/90/980532190.db2.gz XHZVEXARZXKZKJ-NSHDSACASA-N 1 0 230.352 2.420 20 30 BEEDRO CCCCCCCOC(=O)N1CC[NH2+][C@H]2C[C@H]21 ZINC001239331627 980539038 /nfs/dbraw/zinc/53/90/38/980539038.db2.gz NNTFOUISYGHNMD-NWDGAFQWSA-N 1 0 240.347 2.140 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@H]2C[C@@]2([NH3+])C1 ZINC001239334644 980541106 /nfs/dbraw/zinc/54/11/06/980541106.db2.gz AMPQHBFBYFFIQU-DGCLKSJQSA-N 1 0 240.347 2.126 20 30 BEEDRO CCCCCCCOC(=O)N1CC[C@@H]([NH3+])C1 ZINC001239335169 980541435 /nfs/dbraw/zinc/54/14/35/980541435.db2.gz IXOGINUGCDHFQX-LLVKDONJSA-N 1 0 228.336 2.126 20 30 BEEDRO CCCCCCCCNC(=S)NC[C@H](C)[NH3+] ZINC001239357735 980548303 /nfs/dbraw/zinc/54/83/03/980548303.db2.gz NTPRAZCTZGZEFG-NSHDSACASA-N 1 0 245.436 2.158 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC(C)C ZINC001151669670 980554866 /nfs/dbraw/zinc/55/48/66/980554866.db2.gz IMBNWAWSDREXLQ-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO CCCCCCCNC(=S)N(C)C[C@H](C)[NH3+] ZINC001239461785 980589827 /nfs/dbraw/zinc/58/98/27/980589827.db2.gz VQQAUHFKGLHNBL-NSHDSACASA-N 1 0 245.436 2.110 20 30 BEEDRO C=CCCCN(CC)C(=O)c1ccc(C[NH3+])o1 ZINC001345603908 980642162 /nfs/dbraw/zinc/64/21/62/980642162.db2.gz WLKZGEONSJOJDN-UHFFFAOYSA-N 1 0 236.315 2.167 20 30 BEEDRO C=CC(C)(C)NC(=O)c1ccc2c(c1)C[NH2+]CC2 ZINC001345645267 980660217 /nfs/dbraw/zinc/66/02/17/980660217.db2.gz AXPMFSFYWPBFCP-UHFFFAOYSA-N 1 0 244.338 2.027 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC001345868889 980700354 /nfs/dbraw/zinc/70/03/54/980700354.db2.gz FRCMMHPJERGADZ-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1nccn1CCc1ccc(C#N)cc1 ZINC001188995429 980730142 /nfs/dbraw/zinc/73/01/42/980730142.db2.gz IRJYIKPGPHHBET-UHFFFAOYSA-N 1 0 211.268 2.306 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C=C(CC)CC)CC1 ZINC001346161574 980771680 /nfs/dbraw/zinc/77/16/80/980771680.db2.gz SQMLLXOIEVDTLH-UHFFFAOYSA-N 1 0 249.354 2.374 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001346231159 980794180 /nfs/dbraw/zinc/79/41/80/980794180.db2.gz VZYSHKAYHSBCKZ-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC(C)(C)CCC#N ZINC000827823825 980795634 /nfs/dbraw/zinc/79/56/34/980795634.db2.gz VLIMRWQKNZTJBN-UHFFFAOYSA-N 1 0 236.359 2.288 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001189859110 980819953 /nfs/dbraw/zinc/81/99/53/980819953.db2.gz WRSKWIGWIPJTBI-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H](C)CC)C1 ZINC001189859113 980820402 /nfs/dbraw/zinc/82/04/02/980820402.db2.gz WRSKWIGWIPJTBI-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC(=C)C)C1 ZINC001190423499 980873418 /nfs/dbraw/zinc/87/34/18/980873418.db2.gz PWDNWLUABGBWHU-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([N@@H+](C)CCC)C1 ZINC001190435987 980873656 /nfs/dbraw/zinc/87/36/56/980873656.db2.gz NQXOSWUOBCENCB-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)[C@H](C)O ZINC001190456627 980873821 /nfs/dbraw/zinc/87/38/21/980873821.db2.gz BVLZFCIBJMDJGJ-OLZOCXBDSA-N 1 0 249.354 2.453 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001190435496 980874025 /nfs/dbraw/zinc/87/40/25/980874025.db2.gz FSJGEUSVSUWWFX-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cc1)[C@H](C)[C@@H](C)O ZINC001190456626 980874788 /nfs/dbraw/zinc/87/47/88/980874788.db2.gz BVLZFCIBJMDJGJ-CHWSQXEVSA-N 1 0 249.354 2.453 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001346665943 980879029 /nfs/dbraw/zinc/87/90/29/980879029.db2.gz KJYYYIHBTHQLFV-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001346665945 980879671 /nfs/dbraw/zinc/87/96/71/980879671.db2.gz KJYYYIHBTHQLFV-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO N#CCc1cccc(-c2cncc(C[NH3+])c2)c1F ZINC001239797851 980936452 /nfs/dbraw/zinc/93/64/52/980936452.db2.gz XEGLMXMCPWVFOD-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO [NH3+]Cc1cncc(-c2cc(/C=N/O)ccc2F)c1 ZINC001239804349 980941745 /nfs/dbraw/zinc/94/17/45/980941745.db2.gz PEKLQIBNNVMFAB-REZTVBANSA-N 1 0 245.257 2.155 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001191172800 980988937 /nfs/dbraw/zinc/98/89/37/980988937.db2.gz AGVCLNZWQIWYQD-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1CC2(CC2)CC1=O ZINC001347245146 981020035 /nfs/dbraw/zinc/02/00/35/981020035.db2.gz YHWCYJKIMFPEBY-BETUJISGSA-N 1 0 246.354 2.139 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191790222 981087161 /nfs/dbraw/zinc/08/71/61/981087161.db2.gz LBWJALCSZASJDG-GUNGLEHYSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001191891080 981097218 /nfs/dbraw/zinc/09/72/18/981097218.db2.gz WZIJQULBFMORAE-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC001347579917 981121845 /nfs/dbraw/zinc/12/18/45/981121845.db2.gz DLDGGIVUPIIGCI-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C[NH+]1CCC(OCc2ccc(C#N)cc2)CC1 ZINC001205597910 981156963 /nfs/dbraw/zinc/15/69/63/981156963.db2.gz IQSCFQTXIPAXLC-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCCC[C@H]2O)C1 ZINC001192461618 981161343 /nfs/dbraw/zinc/16/13/43/981161343.db2.gz UOHQBOHWWXOJRQ-MGPQQGTHSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC001192461594 981161711 /nfs/dbraw/zinc/16/17/11/981161711.db2.gz UOHQBOHWWXOJRQ-BFHYXJOUSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cncc(C)n1 ZINC001203173125 981177164 /nfs/dbraw/zinc/17/71/64/981177164.db2.gz CSFPTPUQHFBPKQ-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C[C@@H](c1ccccn1)[N@@H+]1CC[C@@H](OCCC#N)C1 ZINC001205622750 981261222 /nfs/dbraw/zinc/26/12/22/981261222.db2.gz YGXSAXIANVRYPF-QWHCGFSZSA-N 1 0 245.326 2.147 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](OCC)C2CC2)C1 ZINC001348152600 981298343 /nfs/dbraw/zinc/29/83/43/981298343.db2.gz JAZUPSDCGRKWPZ-KBPBESRZSA-N 1 0 239.359 2.078 20 30 BEEDRO N#CCc1cccc(-c2ccc3c(c2)CC[NH2+]C3)n1 ZINC001240453948 981392333 /nfs/dbraw/zinc/39/23/33/981392333.db2.gz IFRFMZOTPIZIJI-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#Cc1cc2cc(C3=CC[NH2+]CC3)ccc2[nH]1 ZINC001240467000 981401070 /nfs/dbraw/zinc/40/10/70/981401070.db2.gz OQXNATSQTHKUTD-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO N#Cc1c[nH]c2ccc(C3=CC[NH2+]CC3)cc12 ZINC001240467564 981401787 /nfs/dbraw/zinc/40/17/87/981401787.db2.gz NRPAYLUPJSMRDP-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO SCc1ccccc1C1=CC[NH2+]CC1 ZINC001240469685 981405191 /nfs/dbraw/zinc/40/51/91/981405191.db2.gz JOIAXXUIIZLDMY-UHFFFAOYSA-N 1 0 205.326 2.493 20 30 BEEDRO N#Cc1cc2[nH]ccc2c(C2=CC[NH2+]CC2)c1 ZINC001240469587 981405704 /nfs/dbraw/zinc/40/57/04/981405704.db2.gz DKPCDZPUERGJPJ-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO N#Cc1c2cccnc2ccc1C1=CC[NH2+]CC1 ZINC001240469857 981408264 /nfs/dbraw/zinc/40/82/64/981408264.db2.gz NEWKBSGFPHUYKQ-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1C ZINC000716938294 981427219 /nfs/dbraw/zinc/42/72/19/981427219.db2.gz XJCIEHIRPKBFPK-HNNXBMFYSA-N 1 0 231.339 2.431 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC001348850732 981457078 /nfs/dbraw/zinc/45/70/78/981457078.db2.gz RQSRGWHNZQPFHK-AGIUHOORSA-N 1 0 241.375 2.371 20 30 BEEDRO CCCCCCCOC(=O)N1CC([NH+](C)C)C1 ZINC001193985386 981523841 /nfs/dbraw/zinc/52/38/41/981523841.db2.gz BHKAHVPGQWZCKF-UHFFFAOYSA-N 1 0 242.363 2.339 20 30 BEEDRO N#CCc1cccc(C2=CCC[NH2+]C2)c1F ZINC001240664897 981572172 /nfs/dbraw/zinc/57/21/72/981572172.db2.gz QCRPTGRELNWNJB-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO N#CCc1ccc(C2=CCC[NH2+]C2)cc1C#N ZINC001240665572 981575983 /nfs/dbraw/zinc/57/59/83/981575983.db2.gz ZYPDWEGBFKEGQF-UHFFFAOYSA-N 1 0 223.279 2.001 20 30 BEEDRO C=CCOC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC001194319075 981667834 /nfs/dbraw/zinc/66/78/34/981667834.db2.gz XEWCTHHBDAPOGR-UHFFFAOYSA-N 1 0 234.299 2.483 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)c2ccsc2)CC1 ZINC001349770252 981727861 /nfs/dbraw/zinc/72/78/61/981727861.db2.gz IZRBSKNTSZCKDG-UHFFFAOYSA-N 1 0 249.335 2.003 20 30 BEEDRO C=CCOC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC001194331031 981759711 /nfs/dbraw/zinc/75/97/11/981759711.db2.gz MCWZLKKVIIDVLV-ZDUSSCGKSA-N 1 0 248.326 2.202 20 30 BEEDRO C=C(C)c1cccc(N2CCC([NH3+])CC2)n1 ZINC001240833542 981876539 /nfs/dbraw/zinc/87/65/39/981876539.db2.gz QWAKQXIJQOYLRN-UHFFFAOYSA-N 1 0 217.316 2.042 20 30 BEEDRO C=C(C)c1cncc([C@H]2C[NH+]3CCC2CC3)n1 ZINC001240834204 981877614 /nfs/dbraw/zinc/87/76/14/981877614.db2.gz LYXYEPPLKKLGQL-LBPRGKRZSA-N 1 0 229.327 2.319 20 30 BEEDRO Cc1ccnc(C=C2CC[NH2+]CC2)c1C#N ZINC001240873921 981917174 /nfs/dbraw/zinc/91/71/74/981917174.db2.gz LPEDLGKAMLIQAT-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO Cc1ccc(C#N)nc1C=C1CC[NH2+]CC1 ZINC001240874796 981919121 /nfs/dbraw/zinc/91/91/21/981919121.db2.gz YYCNFYVSBWHWAF-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)O[C@@H](C)CC ZINC001195150764 982136318 /nfs/dbraw/zinc/13/63/18/982136318.db2.gz LYCQKOWQKDNLGX-RYUDHWBXSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)[C@@H](C)CCC)CC1 ZINC001195374036 982204190 /nfs/dbraw/zinc/20/41/90/982204190.db2.gz SLKAJOXTADTSTF-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC001351328556 982283294 /nfs/dbraw/zinc/28/32/94/982283294.db2.gz FYHZWJKWISSWJC-XEZLXBQYSA-N 1 0 209.333 2.212 20 30 BEEDRO C[NH2+]Cc1ccccc1-c1ccnc(C#N)c1 ZINC001241200128 982348924 /nfs/dbraw/zinc/34/89/24/982348924.db2.gz QNXJZLZFJXFAHF-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO CC[N@H+](CCOC)Cc1cc(F)cc(C#N)c1 ZINC000163572247 982406917 /nfs/dbraw/zinc/40/69/17/982406917.db2.gz BLNCFPMWQHQDTM-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO CC(C)(C)ON=C1CCC[N@@H+]2CCSC[C@H]12 ZINC001352115768 982478024 /nfs/dbraw/zinc/47/80/24/982478024.db2.gz GJXAVCJEHKOSIT-LLVKDONJSA-N 1 0 242.388 2.369 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccccc2C#N)C1 ZINC001205805242 982567202 /nfs/dbraw/zinc/56/72/02/982567202.db2.gz QAHGNXRULIVICF-IUODEOHRSA-N 1 0 243.354 2.117 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1C[C@@H]1c1cccc(F)c1 ZINC001352840396 982597337 /nfs/dbraw/zinc/59/73/37/982597337.db2.gz VPSQXVAQBRNSES-CABCVRRESA-N 1 0 247.313 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC2(OC)CCC2)CC1 ZINC001352876153 982622104 /nfs/dbraw/zinc/62/21/04/982622104.db2.gz ILEIDMSNAOUBSD-JOCQHMNTSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCCc2ncccc21 ZINC001353033893 982670108 /nfs/dbraw/zinc/67/01/08/982670108.db2.gz CSZCOQKUKIFATB-SWLSCSKDSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)/C=C/C2CC2)C1 ZINC001100221148 982691499 /nfs/dbraw/zinc/69/14/99/982691499.db2.gz XZLNPFCNNPYROP-VOTSOKGWSA-N 1 0 248.370 2.013 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)C1(C)CC1 ZINC001198407569 982703429 /nfs/dbraw/zinc/70/34/29/982703429.db2.gz WNIYDCXUQORFCE-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001480447527 982704688 /nfs/dbraw/zinc/70/46/88/982704688.db2.gz PZRIJDLUMLPPNW-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1CCO[C@@H]1CCOC1 ZINC001198414457 982709387 /nfs/dbraw/zinc/70/93/87/982709387.db2.gz RZGFLPMNIMTRDI-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(C#N)s2)C1 ZINC001205840906 982731809 /nfs/dbraw/zinc/73/18/09/982731809.db2.gz ITJNUGVOLXPQQK-MNOVXSKESA-N 1 0 249.383 2.179 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1 ZINC001203905539 982738657 /nfs/dbraw/zinc/73/86/57/982738657.db2.gz SBWBSNJDCUIRQF-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO C#CCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC001198440770 982739360 /nfs/dbraw/zinc/73/93/60/982739360.db2.gz KARJOQCQNPUYPG-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)C2=CCCC2)C1 ZINC001100242771 982741952 /nfs/dbraw/zinc/74/19/52/982741952.db2.gz JSDZIWGZHLKBDZ-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)CC(F)F ZINC001353245262 982800633 /nfs/dbraw/zinc/80/06/33/982800633.db2.gz DZSZAMSGANHYOL-VHSXEESVSA-N 1 0 229.274 2.311 20 30 BEEDRO COc1ccc(CC#N)cc1C1=CCC[N@H+](C)C1 ZINC001241569701 982814827 /nfs/dbraw/zinc/81/48/27/982814827.db2.gz MODDXRLERJNMNP-UHFFFAOYSA-N 1 0 242.322 2.480 20 30 BEEDRO COc1cc(C2=CCC[N@H+](C)C2)ccc1CC#N ZINC001241569651 982816955 /nfs/dbraw/zinc/81/69/55/982816955.db2.gz KDNQVPMFCMQOBN-UHFFFAOYSA-N 1 0 242.322 2.480 20 30 BEEDRO CC#Cc1cncc(C2=CCC[N@H+](C)C2)c1 ZINC001241571083 982824511 /nfs/dbraw/zinc/82/45/11/982824511.db2.gz QYDGWYFUORHROJ-UHFFFAOYSA-N 1 0 212.296 2.172 20 30 BEEDRO N#CCCCC[N@@H+]1CCCC[C@@]12CCOC2 ZINC001198761985 982832371 /nfs/dbraw/zinc/83/23/71/982832371.db2.gz UYEVZINOWGCIGT-ZDUSSCGKSA-N 1 0 222.332 2.325 20 30 BEEDRO C#CCC[N@@H+]1CCCC[C@]12CCCOC2 ZINC001198828184 982839773 /nfs/dbraw/zinc/83/97/73/982839773.db2.gz KFUNRMQITNLHLQ-CYBMUJFWSA-N 1 0 207.317 2.045 20 30 BEEDRO C=C/C(C)=C/CC(=O)NC[C@@H](C)[NH2+]CC(=C)C ZINC001480520120 982890917 /nfs/dbraw/zinc/89/09/17/982890917.db2.gz KDNCIDWLFCOACC-BWODNOAJSA-N 1 0 236.359 2.179 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC001353605684 982918430 /nfs/dbraw/zinc/91/84/30/982918430.db2.gz MFZYOAYJBGVWBW-HZSPNIEDSA-N 1 0 225.376 2.421 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)ccc1O ZINC001353622205 982933070 /nfs/dbraw/zinc/93/30/70/982933070.db2.gz DWLSSIMUUXELIV-LLVKDONJSA-N 1 0 248.326 2.323 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC001353640506 982947228 /nfs/dbraw/zinc/94/72/28/982947228.db2.gz DITSSFLNRZKLOQ-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H](C)C1 ZINC001353833791 983020271 /nfs/dbraw/zinc/02/02/71/983020271.db2.gz UAYHEADSAVXMOH-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC001200526493 983109391 /nfs/dbraw/zinc/10/93/91/983109391.db2.gz SDUVKPSJJDOKAL-SNVBAGLBSA-N 1 0 249.310 2.478 20 30 BEEDRO Cc1cc(-c2ccc(C[NH3+])cc2)ncc1C#N ZINC001241911293 983125642 /nfs/dbraw/zinc/12/56/42/983125642.db2.gz LHYPUDYPUDRSFA-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1cnc(-c2ccc(C[NH3+])cc2)c(C#N)c1 ZINC001241911924 983128887 /nfs/dbraw/zinc/12/88/87/983128887.db2.gz QGSKYPVAQSANOQ-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO COc1cnc(-c2ccc(C[NH3+])cc2)c(C#N)c1 ZINC001241912162 983128895 /nfs/dbraw/zinc/12/88/95/983128895.db2.gz YHNWJOIAMIWSQY-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2[nH]c(CC)nc2C)C1 ZINC001203246652 983207845 /nfs/dbraw/zinc/20/78/45/983207845.db2.gz JQTCOJXWAUZHLI-GFCCVEGCSA-N 1 0 231.343 2.126 20 30 BEEDRO C=CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC001201415689 983216089 /nfs/dbraw/zinc/21/60/89/983216089.db2.gz FNUUNPBCNXEORC-CQSZACIVSA-N 1 0 220.360 2.146 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)C1(Br)CC1 ZINC001354245417 983221581 /nfs/dbraw/zinc/22/15/81/983221581.db2.gz YZRSBMZWQQEJAO-IUCAKERBSA-N 1 0 248.164 2.093 20 30 BEEDRO Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1C#N ZINC001242019510 983227006 /nfs/dbraw/zinc/22/70/06/983227006.db2.gz BBLFEAMUDAAUBB-NEPJUHHUSA-N 1 0 225.295 2.169 20 30 BEEDRO N#CCc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242020493 983228641 /nfs/dbraw/zinc/22/86/41/983228641.db2.gz NNHJLLPFCPKFOQ-OLZOCXBDSA-N 1 0 225.295 2.055 20 30 BEEDRO N#Cc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1F ZINC001242022108 983229594 /nfs/dbraw/zinc/22/95/94/983229594.db2.gz NEQWLCZQSUUNLO-MNOVXSKESA-N 1 0 229.258 2.000 20 30 BEEDRO ON=Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242027363 983239223 /nfs/dbraw/zinc/23/92/23/983239223.db2.gz ABTFJYROUHYUSC-OLZOCXBDSA-N 1 0 228.295 2.402 20 30 BEEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)CC#N ZINC001354613804 983331929 /nfs/dbraw/zinc/33/19/29/983331929.db2.gz IRTUWFVNPCEKCS-LSDHHAIUSA-N 1 0 244.338 2.098 20 30 BEEDRO CC[C@@H]1Cc2ccccc2C[N@@H+]1C[C@H](O)CC#N ZINC001354613797 983333828 /nfs/dbraw/zinc/33/38/28/983333828.db2.gz IRTUWFVNPCEKCS-HUUCEWRRSA-N 1 0 244.338 2.098 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2cccc(C#N)c2)C1 ZINC001201586498 983345804 /nfs/dbraw/zinc/34/58/04/983345804.db2.gz CQUUUALWAAAIPV-AWEZNQCLSA-N 1 0 230.311 2.421 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Oc2ccccc2C#N)C1 ZINC001201586570 983349312 /nfs/dbraw/zinc/34/93/12/983349312.db2.gz KHULILJIOJGUIS-ZDUSSCGKSA-N 1 0 230.311 2.421 20 30 BEEDRO C#CC[N@@H+](CCOCC1CC1)C(C)(C)C ZINC001354952189 983385671 /nfs/dbraw/zinc/38/56/71/983385671.db2.gz UAUNMBUFYORGRU-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO CCCCCCC[NH+]1CC2(CC(O)C2)C1 ZINC001201761708 983464858 /nfs/dbraw/zinc/46/48/58/983464858.db2.gz OOYVPIUISFKRJT-UHFFFAOYSA-N 1 0 211.349 2.414 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001201761881 983468084 /nfs/dbraw/zinc/46/80/84/983468084.db2.gz UCYVYOYVBRFPNX-ZIAGYGMSSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@](C)(O)C1 ZINC001201761679 983468325 /nfs/dbraw/zinc/46/83/25/983468325.db2.gz OBNOJQQMHUHSIM-CYBMUJFWSA-N 1 0 229.364 2.040 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@](C)(CO)[C@H](O)C1 ZINC001201761339 983468359 /nfs/dbraw/zinc/46/83/59/983468359.db2.gz ASELRVSKPJGDDM-ZIAGYGMSSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC001201826530 983492227 /nfs/dbraw/zinc/49/22/27/983492227.db2.gz ZGZOUIULMQZYIM-GFCCVEGCSA-N 1 0 226.364 2.154 20 30 BEEDRO N#Cc1ccc2c(c1)CC[N@@H+](CC1CC1)C2 ZINC001201875760 983496010 /nfs/dbraw/zinc/49/60/10/983496010.db2.gz HIYIHXXFDCEISZ-UHFFFAOYSA-N 1 0 212.296 2.326 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cncc(C#N)c2)n1 ZINC001242274207 983496813 /nfs/dbraw/zinc/49/68/13/983496813.db2.gz NETXQABQWAMXKN-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](C)[NH2+]CCC ZINC001355585536 983521855 /nfs/dbraw/zinc/52/18/55/983521855.db2.gz FRGGXWGMTLUQFP-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#Cc1ccc(-c2ncc(C)cc2C[NH3+])cc1 ZINC001242293511 983522053 /nfs/dbraw/zinc/52/20/53/983522053.db2.gz HOXFJEWSTOTCDG-UHFFFAOYSA-N 1 0 222.291 2.497 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001355585941 983526495 /nfs/dbraw/zinc/52/64/95/983526495.db2.gz IQOAWEOVJQVKRW-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO N#Cc1ncccc1-c1ccc2[nH+]c(N)[nH]c2c1 ZINC001242310364 983537785 /nfs/dbraw/zinc/53/77/85/983537785.db2.gz IFIYJMUAIDROEU-UHFFFAOYSA-N 1 0 235.250 2.079 20 30 BEEDRO N#Cc1ncccc1-c1cccc2c1CC[NH2+]C2 ZINC001242311013 983539619 /nfs/dbraw/zinc/53/96/19/983539619.db2.gz KKQDHUHRCPTLPK-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2[C@@H](C)CC ZINC001273925273 983542688 /nfs/dbraw/zinc/54/26/88/983542688.db2.gz QGNLEXMRSWDRKK-YNEHKIRRSA-N 1 0 236.359 2.036 20 30 BEEDRO N#Cc1ncccc1-c1cccc2c[nH+]cn21 ZINC001242312655 983545319 /nfs/dbraw/zinc/54/53/19/983545319.db2.gz TZHNPTDRLNMZTM-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO CCCCCCCCC(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC001356434171 983605641 /nfs/dbraw/zinc/60/56/41/983605641.db2.gz WBMNCNJFGTYMKX-HAQNSBGRSA-N 1 0 226.364 2.343 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001356455013 983607370 /nfs/dbraw/zinc/60/73/70/983607370.db2.gz XQUVSVMOSVEVSU-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1cc(-c2ccc([C@H](C)[NH3+])nc2)cnc1C#N ZINC001242357867 983643774 /nfs/dbraw/zinc/64/37/74/983643774.db2.gz RTWBSQVEVBHRBJ-JTQLQIEISA-N 1 0 238.294 2.343 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)CCCC)cc1 ZINC001252110902 983685903 /nfs/dbraw/zinc/68/59/03/983685903.db2.gz PQXOAZLWQHGPKF-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@](C)(CC)C1 ZINC001357308818 983689002 /nfs/dbraw/zinc/68/90/02/983689002.db2.gz KQEHSHYIUWDDLY-OCCSQVGLSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)/C=C(\C)CC)C1 ZINC001488826095 983695357 /nfs/dbraw/zinc/69/53/57/983695357.db2.gz GEPQDAKVLFREJN-LKZGTUFDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@@H](O)CCCCCCCC ZINC001252134915 983715818 /nfs/dbraw/zinc/71/58/18/983715818.db2.gz UJZRJJCVBVAPPR-KBPBESRZSA-N 1 0 243.391 2.234 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCNC(=O)C(C)(C)F ZINC001490309961 983720102 /nfs/dbraw/zinc/72/01/02/983720102.db2.gz DPRANGBJUIGEJT-UHFFFAOYSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)/C(C)=C/C)C1CC1 ZINC001490371116 983722699 /nfs/dbraw/zinc/72/26/99/983722699.db2.gz RLPWNIKIPDLARI-LFYBBSHMSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001490433690 983728268 /nfs/dbraw/zinc/72/82/68/983728268.db2.gz BVCCMKCQOGFIIN-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](C)[C@H](C)C1 ZINC001252547797 983812603 /nfs/dbraw/zinc/81/26/03/983812603.db2.gz LIVZHWUEMWIZMJ-UPJWGTAASA-N 1 0 211.349 2.291 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1cccc(F)c1 ZINC001252547904 983813105 /nfs/dbraw/zinc/81/31/05/983813105.db2.gz NDXQZTMDWZMOHY-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC001252568592 983824162 /nfs/dbraw/zinc/82/41/62/983824162.db2.gz LRMWXBPQYCSZJN-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001252576466 983831599 /nfs/dbraw/zinc/83/15/99/983831599.db2.gz LFHREQHDSMBUIZ-GFCCVEGCSA-N 1 0 240.734 2.070 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CC)c1cccnc1 ZINC001252577307 983832665 /nfs/dbraw/zinc/83/26/65/983832665.db2.gz YGVSJPFVTSCFJJ-QWHCGFSZSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc(F)c1C ZINC001252577304 983832897 /nfs/dbraw/zinc/83/28/97/983832897.db2.gz YENQLFKURIKMEZ-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C(C)=O)cc1 ZINC001252580150 983834115 /nfs/dbraw/zinc/83/41/15/983834115.db2.gz BFJFQLBLFHTWEJ-NHYWBVRUSA-N 1 0 247.338 2.477 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccncc1)C(C)C ZINC001252585412 983835478 /nfs/dbraw/zinc/83/54/78/983835478.db2.gz NQRGOIRNEWCMIZ-KGLIPLIRSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2sccc21 ZINC001252585063 983835519 /nfs/dbraw/zinc/83/55/19/983835519.db2.gz JJYHYMMPSOCUPE-JQWIXIFHSA-N 1 0 223.341 2.262 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(Cl)nc1 ZINC001252586197 983836293 /nfs/dbraw/zinc/83/62/93/983836293.db2.gz DHUCYRMWFJAYHJ-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001252586341 983836364 /nfs/dbraw/zinc/83/63/64/983836364.db2.gz ZDEWFWMLYUUZKO-IUODEOHRSA-N 1 0 249.354 2.153 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccc(C)cc1 ZINC001252586824 983837393 /nfs/dbraw/zinc/83/73/93/983837393.db2.gz MPIFXTMLHRJZMF-OAHLLOKOSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccc(C)cc1 ZINC001252586820 983837829 /nfs/dbraw/zinc/83/78/29/983837829.db2.gz MPIFXTMLHRJZMF-HNNXBMFYSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1COc2ccccc21 ZINC001252615703 983850945 /nfs/dbraw/zinc/85/09/45/983850945.db2.gz CZAUKRFMASCYCK-YPMHNXCESA-N 1 0 233.311 2.037 20 30 BEEDRO C#CC1([NH2+]C[C@@H](O)CCC=C)CCCCC1 ZINC001252622973 983856644 /nfs/dbraw/zinc/85/66/44/983856644.db2.gz BKXRJVDBXHBXDM-ZDUSSCGKSA-N 1 0 221.344 2.239 20 30 BEEDRO N#Cc1cc(F)ccc1-c1ccc(C[NH3+])nc1 ZINC001242581718 983894348 /nfs/dbraw/zinc/89/43/48/983894348.db2.gz JOSJAZNZTQBYPR-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC001560394476 983933125 /nfs/dbraw/zinc/93/31/25/983933125.db2.gz ABHDPWHABDPRBH-JTQLQIEISA-N 1 0 246.289 2.071 20 30 BEEDRO Cc1csc(C[NH+]2CC(CC#N)C2)c1 ZINC001137152594 983984673 /nfs/dbraw/zinc/98/46/73/983984673.db2.gz UWDHRVDVRJVSIA-UHFFFAOYSA-N 1 0 206.314 2.402 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001480634419 984005974 /nfs/dbraw/zinc/00/59/74/984005974.db2.gz QBMFPZFMZSLZSO-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C(CC)CC ZINC001480750572 984008763 /nfs/dbraw/zinc/00/87/63/984008763.db2.gz WVIIXGUDMLLJBC-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CCCC1 ZINC001570585281 984026487 /nfs/dbraw/zinc/02/64/87/984026487.db2.gz URGKKJOCRPBLDJ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001571531427 984033116 /nfs/dbraw/zinc/03/31/16/984033116.db2.gz BUUCTVSVLFXOCT-TZMCWYRMSA-N 1 0 248.370 2.157 20 30 BEEDRO N#Cc1ccccc1-c1ccnc(C[NH3+])c1 ZINC001242716350 984067876 /nfs/dbraw/zinc/06/78/76/984067876.db2.gz SDQRGOHBMZAYTK-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[NH2+]C[C@H]1CCC ZINC000884246285 984164058 /nfs/dbraw/zinc/16/40/58/984164058.db2.gz NHZHKRDXJZXWDT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCOC(F)(F)F)C1 ZINC000886367278 984189358 /nfs/dbraw/zinc/18/93/58/984189358.db2.gz SIRNUNUGMJODFQ-JTQLQIEISA-N 1 0 235.249 2.258 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000717445475 984197191 /nfs/dbraw/zinc/19/71/91/984197191.db2.gz CTKUPEAFSZNLNN-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO CCCCCCN(O)C(=O)C[NH2+]CC(C)C ZINC001577432851 984200036 /nfs/dbraw/zinc/20/00/36/984200036.db2.gz RSWOCSHOLTXYMW-UHFFFAOYSA-N 1 0 230.352 2.030 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CC1 ZINC001253566180 984226115 /nfs/dbraw/zinc/22/61/15/984226115.db2.gz WKBQPRFLBVWGHI-GFCCVEGCSA-N 1 0 237.730 2.466 20 30 BEEDRO C=C(C)CCC(=O)NC/C=C\C[NH2+]C(C)C ZINC001274069461 984252092 /nfs/dbraw/zinc/25/20/92/984252092.db2.gz RVMROTYQYFMDLR-WAYWQWQTSA-N 1 0 224.348 2.013 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)CCC(C)C ZINC000717793437 984293284 /nfs/dbraw/zinc/29/32/84/984293284.db2.gz HFFACPABSJTKPF-CHWSQXEVSA-N 1 0 211.349 2.175 20 30 BEEDRO N#Cc1ccc2c(c1)nccc2C1=CC[NH2+]CC1 ZINC001240468118 984303912 /nfs/dbraw/zinc/30/39/12/984303912.db2.gz YDTNRPQUDLBXBI-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1CC[NH2+][C@H](C)C1 ZINC000717629070 984337654 /nfs/dbraw/zinc/33/76/54/984337654.db2.gz MMWSORWAQUKXQZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ccc(C#N)c(F)n2)cc1 ZINC001242991052 984353471 /nfs/dbraw/zinc/35/34/71/984353471.db2.gz VKOPRNGWVCUBJI-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2nc(C)ncc2C#N)c1 ZINC001242995751 984361607 /nfs/dbraw/zinc/36/16/07/984361607.db2.gz WNEXLJHLYVQYOH-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C=C\c1ccccc1 ZINC000717909585 984365408 /nfs/dbraw/zinc/36/54/08/984365408.db2.gz VGWHGKAPXFAXKI-YYRKOSNBSA-N 1 0 229.323 2.064 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C1CC=CC1 ZINC001274709323 984367977 /nfs/dbraw/zinc/36/79/77/984367977.db2.gz LSEXJXARUPHNIJ-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)c1ccco1 ZINC001320956191 984374564 /nfs/dbraw/zinc/37/45/64/984374564.db2.gz KKGRYMFTCFEHJB-ARJAWSKDSA-N 1 0 248.326 2.121 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001275168714 984513698 /nfs/dbraw/zinc/51/36/98/984513698.db2.gz SLMPTRVCPHXTLV-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C[C@@H](C)CC)C1 ZINC001275220985 984524582 /nfs/dbraw/zinc/52/45/82/984524582.db2.gz ZYOHXWYHQHILMV-HIFPTAJRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C1(CCC)CCC1 ZINC001275273499 984529592 /nfs/dbraw/zinc/52/95/92/984529592.db2.gz DEESNYRPIJCKLK-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(C)C ZINC001275366224 984543658 /nfs/dbraw/zinc/54/36/58/984543658.db2.gz MRLYPMMXEXHXHW-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C=C1CCC1 ZINC001275376437 984549329 /nfs/dbraw/zinc/54/93/29/984549329.db2.gz NKLWAUCZECJIFR-NEPJUHHUSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]C(C)C ZINC001275462630 984568532 /nfs/dbraw/zinc/56/85/32/984568532.db2.gz WDHMIMFZSYLJIU-QWRGUYRKSA-N 1 0 226.364 2.090 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001275479613 984573701 /nfs/dbraw/zinc/57/37/01/984573701.db2.gz BTZQBVUQLSQRHQ-VXGBXAGGSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001275568366 984611660 /nfs/dbraw/zinc/61/16/60/984611660.db2.gz ZZWSRZOUPZLEPI-LBPRGKRZSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1(C)CC1)C2 ZINC001095452839 984813475 /nfs/dbraw/zinc/81/34/75/984813475.db2.gz RQTMYBXAPJLUIT-AGIUHOORSA-N 1 0 248.370 2.084 20 30 BEEDRO CC1(C#N)CC[NH+](CCc2ccns2)CC1 ZINC000719854095 984817325 /nfs/dbraw/zinc/81/73/25/984817325.db2.gz DXRVAQGBQDASOR-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)/C=C/CCC ZINC001448870856 984823056 /nfs/dbraw/zinc/82/30/56/984823056.db2.gz DAAGBUOVBZVWAI-MDZDMXLPSA-N 1 0 238.375 2.309 20 30 BEEDRO COC[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256963831 984845695 /nfs/dbraw/zinc/84/56/95/984845695.db2.gz MZAKYGFQHLJPMX-OTTFEQOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](C1CCC(C#N)CC1)[C@@H]1CCCOC1 ZINC001256971767 984848368 /nfs/dbraw/zinc/84/83/68/984848368.db2.gz ZXRBRPLQUOXJCI-WXRRBKDZSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC[C@@H](C#N)CC2)CC1 ZINC001257218643 984853128 /nfs/dbraw/zinc/85/31/28/984853128.db2.gz VHIGJSFAZWSXTF-CQSZACIVSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C(C)(C)C=C)C2 ZINC001110897139 984862524 /nfs/dbraw/zinc/86/25/24/984862524.db2.gz CDYGNCWKMTZSAV-UPJWGTAASA-N 1 0 248.370 2.106 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC ZINC001110966787 984923544 /nfs/dbraw/zinc/92/35/44/984923544.db2.gz GESDIIVSTINIOE-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC[N@@H+](C)C[C@](O)(CC)C(F)(F)F ZINC000930253669 984951930 /nfs/dbraw/zinc/95/19/30/984951930.db2.gz XTIGOCWRGCJNLG-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])c1ccc(Cl)cn1 ZINC001257430042 984999383 /nfs/dbraw/zinc/99/93/83/984999383.db2.gz DYSLTTRPWNMGCI-ZETCQYMHSA-N 1 0 211.696 2.239 20 30 BEEDRO COCCCCC[N@@H+]1CCC[C@@H](C#N)C1 ZINC000932156485 985013484 /nfs/dbraw/zinc/01/34/84/985013484.db2.gz GFPADJAQKXETTP-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](CCCCCCCO)C1 ZINC000932156510 985013961 /nfs/dbraw/zinc/01/39/61/985013961.db2.gz GYHCTWRIQQERSR-CYBMUJFWSA-N 1 0 224.348 2.165 20 30 BEEDRO COCCCCC[N@@H+]1CCC[C@H](C#N)C1 ZINC000932156484 985014006 /nfs/dbraw/zinc/01/40/06/985014006.db2.gz GFPADJAQKXETTP-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO CC(C)CN(CCC#N)CC[NH+]1CCCCC1 ZINC000685995635 985034775 /nfs/dbraw/zinc/03/47/75/985034775.db2.gz CCEYSOZXNHVBAK-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1C[N@@H+](C)CC1(C)C ZINC001456179440 985122027 /nfs/dbraw/zinc/12/20/27/985122027.db2.gz SXTQBOZFCYBSGW-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001456174582 985125062 /nfs/dbraw/zinc/12/50/62/985125062.db2.gz JQLGCTQTOGACSK-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CCOc1ccc(-c2ccnc(C[NH3+])c2)cc1 ZINC001243591956 985145967 /nfs/dbraw/zinc/14/59/67/985145967.db2.gz AHRVQGJBJAYEHP-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000686673899 985196156 /nfs/dbraw/zinc/19/61/56/985196156.db2.gz NSFNODUSENUWNN-CYBMUJFWSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000686680877 985197280 /nfs/dbraw/zinc/19/72/80/985197280.db2.gz BRFRIPZWKMSMHW-AWEZNQCLSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CCCCCC[N@@H+](CCCO)C1CC1 ZINC000686678785 985200243 /nfs/dbraw/zinc/20/02/43/985200243.db2.gz WFPHYADRDRIDPO-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000686683791 985201172 /nfs/dbraw/zinc/20/11/72/985201172.db2.gz ORLJXAGGIPIPQG-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCCCCC[N@@H+](CCF)CCOC ZINC000686683850 985202173 /nfs/dbraw/zinc/20/21/73/985202173.db2.gz RCPOWCRLCCCXQU-UHFFFAOYSA-N 1 0 215.312 2.098 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@H]1CCO ZINC000686683436 985203063 /nfs/dbraw/zinc/20/30/63/985203063.db2.gz ZMJVFGYTJCRXMZ-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO COc1ccc(-c2ccc(C[NH3+])nc2)c(C#N)c1 ZINC001243731906 985249007 /nfs/dbraw/zinc/24/90/07/985249007.db2.gz OJINSYHDDPUOHN-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1cc(C)c(C#N)cn1 ZINC001458055375 985257216 /nfs/dbraw/zinc/25/72/16/985257216.db2.gz PGJMIBMQONTBLM-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO CO[C@H]1CC[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000687214191 985269537 /nfs/dbraw/zinc/26/95/37/985269537.db2.gz OBSLCBPMZKSCNR-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1[nH+]cc(NC2=CC[C@@H](C#N)CC2)n1C ZINC001212859843 985275476 /nfs/dbraw/zinc/27/54/76/985275476.db2.gz TXMSXEBMMNFACL-SNVBAGLBSA-N 1 0 216.288 2.348 20 30 BEEDRO C[NH+](C)CC(C)(C)Nc1cc(F)ccc1C#N ZINC001458411993 985306058 /nfs/dbraw/zinc/30/60/58/985306058.db2.gz GBXZLPAQBCGYQO-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO N#C[C@H]1CC=C(c2cnc3c(c2)C[NH2+]CC3)CC1 ZINC001243801302 985372673 /nfs/dbraw/zinc/37/26/73/985372673.db2.gz WPSFAWKLJAXJFM-NSHDSACASA-N 1 0 239.322 2.434 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(OCCOCC)CC1 ZINC001459310395 985443559 /nfs/dbraw/zinc/44/35/59/985443559.db2.gz NYWDGHJDSLJXKP-ZDUSSCGKSA-N 1 0 241.375 2.469 20 30 BEEDRO CCC#C[C@H](C)[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC001459505707 985515451 /nfs/dbraw/zinc/51/54/51/985515451.db2.gz DCXNJAKJDXWAKM-RWMBFGLXSA-N 1 0 209.333 2.288 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CC2CCC1CC2 ZINC001459523368 985526309 /nfs/dbraw/zinc/52/63/09/985526309.db2.gz FEPRLAKZHVGXQV-NRXISQOPSA-N 1 0 215.340 2.381 20 30 BEEDRO N#CCc1cccc(/C=C/C2CC[NH2+]CC2)n1 ZINC001243892302 985556329 /nfs/dbraw/zinc/55/63/29/985556329.db2.gz JHGCBMAFRLCZDG-SNAWJCMRSA-N 1 0 227.311 2.160 20 30 BEEDRO N#CCc1ncccc1/C=C/C1CC[NH2+]CC1 ZINC001243897053 985582090 /nfs/dbraw/zinc/58/20/90/985582090.db2.gz MVJUVMOVOOULFQ-ONEGZZNKSA-N 1 0 227.311 2.160 20 30 BEEDRO Cc1nccc(/C=C/C2CC[NH2+]CC2)c1C#N ZINC001243897589 985583324 /nfs/dbraw/zinc/58/33/24/985583324.db2.gz VKSXQSFXTYSMSD-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO CCC#C[C@@H](C)N1CCC([NH2+]C(C)C)CC1 ZINC001459756026 985598068 /nfs/dbraw/zinc/59/80/68/985598068.db2.gz ZOPFFYDAJBHXNQ-CYBMUJFWSA-N 1 0 222.376 2.251 20 30 BEEDRO N#Cc1cc2[nH]c(C3=C[NH2+]CCC3)ccc-2n1 ZINC001243949476 985636440 /nfs/dbraw/zinc/63/64/40/985636440.db2.gz MYDPSBBZZCYWOB-UHFFFAOYSA-N 1 0 224.267 2.159 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1O ZINC001138625884 985638258 /nfs/dbraw/zinc/63/82/58/985638258.db2.gz VVBMTMUUQLOLQL-OAHLLOKOSA-N 1 0 247.338 2.077 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CO1 ZINC000688459198 985644278 /nfs/dbraw/zinc/64/42/78/985644278.db2.gz WXPGVXMNBQKFOX-QWHCGFSZSA-N 1 0 248.301 2.354 20 30 BEEDRO COc1ccc(C2=C[NH2+]CCC2)c(CC#N)c1 ZINC001243951624 985656447 /nfs/dbraw/zinc/65/64/47/985656447.db2.gz YRYOGOQIXLHTMA-UHFFFAOYSA-N 1 0 228.295 2.486 20 30 BEEDRO N#Cc1cc(C#N)cc(C2=C[NH2+]CCC2)c1 ZINC001243951379 985657404 /nfs/dbraw/zinc/65/74/04/985657404.db2.gz VJXWTCZQVVBLPM-UHFFFAOYSA-N 1 0 209.252 2.154 20 30 BEEDRO C[C@H]([NH3+])c1ccc(-c2ccc(N)c(C#N)c2)cn1 ZINC001244116104 985824793 /nfs/dbraw/zinc/82/47/93/985824793.db2.gz ANGYZKDJWXUZGD-VIFPVBQESA-N 1 0 238.294 2.222 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001460859399 985913843 /nfs/dbraw/zinc/91/38/43/985913843.db2.gz PDHKRJGOFKBBGG-GFCCVEGCSA-N 1 0 244.342 2.206 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ncccc1C ZINC001460941753 985961196 /nfs/dbraw/zinc/96/11/96/985961196.db2.gz XSPVXMVOTBEJGK-STQMWFEESA-N 1 0 234.343 2.368 20 30 BEEDRO C[NH+](C)Cc1cncc(-c2ccncc2C#N)c1 ZINC001244336880 985978261 /nfs/dbraw/zinc/97/82/61/985978261.db2.gz IYFHXIBUEXSZAR-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO N#Cc1cnccc1-c1cccc(C[NH3+])c1F ZINC001244335535 985980373 /nfs/dbraw/zinc/98/03/73/985980373.db2.gz FNJBXIFYHSWRLA-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CCC[C@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001258718023 986045499 /nfs/dbraw/zinc/04/54/99/986045499.db2.gz CPLKBZSVLBSZBV-VIFPVBQESA-N 1 0 221.279 2.281 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC001258719978 986050085 /nfs/dbraw/zinc/05/00/85/986050085.db2.gz NZVVWXQZMLFSPF-BXUZGUMPSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCC(F)CC1 ZINC001258720984 986050962 /nfs/dbraw/zinc/05/09/62/986050962.db2.gz KIZQQVVRUSJQKJ-LBPRGKRZSA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C(=O)NC)C(C)(C)C ZINC001258722043 986056513 /nfs/dbraw/zinc/05/65/13/986056513.db2.gz KXRAAEQBJYMXPK-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1(c2ncccn2)CC1 ZINC001258722918 986059131 /nfs/dbraw/zinc/05/91/31/986059131.db2.gz PFFOHZKSKMFEQG-NSHDSACASA-N 1 0 217.316 2.410 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cn(CC)cn1 ZINC001258724046 986059302 /nfs/dbraw/zinc/05/93/02/986059302.db2.gz LSVCTOLHVZUANP-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC001258725876 986064035 /nfs/dbraw/zinc/06/40/35/986064035.db2.gz NZJOWWJMVKXKMB-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001258726377 986067290 /nfs/dbraw/zinc/06/72/90/986067290.db2.gz RUVHGHHSHSGXAY-FRRDWIJNSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001258726633 986068086 /nfs/dbraw/zinc/06/80/86/986068086.db2.gz VNHDAPUUJWNMAF-SDDRHHMPSA-N 1 0 215.312 2.136 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001258726376 986068530 /nfs/dbraw/zinc/06/85/30/986068530.db2.gz RUVHGHHSHSGXAY-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC001461591631 986091622 /nfs/dbraw/zinc/09/16/22/986091622.db2.gz QDBFRIOWRZYJQB-GXFFZTMASA-N 1 0 242.326 2.136 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)C=C2CCC2)C1 ZINC001278381616 986092250 /nfs/dbraw/zinc/09/22/50/986092250.db2.gz MIDWNAKYJAOTJC-OAHLLOKOSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001461667897 986106907 /nfs/dbraw/zinc/10/69/07/986106907.db2.gz YTJUINCBGUAOLE-GFCCVEGCSA-N 1 0 246.285 2.010 20 30 BEEDRO Cc1cc(F)c(C#N)c(N[C@@H](C)[C@@H](C)[NH3+])c1 ZINC001579609307 986122444 /nfs/dbraw/zinc/12/24/44/986122444.db2.gz UNLRBZKPLVXRTO-BDAKNGLRSA-N 1 0 221.279 2.153 20 30 BEEDRO Cc1cc(F)c(C#N)c(N[C@H](C)[C@@H](C)[NH3+])c1 ZINC001579609310 986123383 /nfs/dbraw/zinc/12/33/83/986123383.db2.gz UNLRBZKPLVXRTO-RKDXNWHRSA-N 1 0 221.279 2.153 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC001461727641 986127932 /nfs/dbraw/zinc/12/79/32/986127932.db2.gz DELBKOANKVUGSG-SOUVJXGZSA-N 1 0 235.371 2.343 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001253584471 986154996 /nfs/dbraw/zinc/15/49/96/986154996.db2.gz NKWNUSGJGZDMMN-HNNXBMFYSA-N 1 0 229.323 2.323 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(OC)cc2)C1 ZINC001253586860 986172392 /nfs/dbraw/zinc/17/23/92/986172392.db2.gz TXYFAIJFXAQKNJ-UONOGXRCSA-N 1 0 247.338 2.031 20 30 BEEDRO N#Cc1ccc(F)c(-c2ccc(C[NH3+])nc2)c1 ZINC001244556848 986244217 /nfs/dbraw/zinc/24/42/17/986244217.db2.gz ICDIURAFVDHSGR-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC001253601286 986249104 /nfs/dbraw/zinc/24/91/04/986249104.db2.gz ODIBFFLDDNWXPI-CYBMUJFWSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC001253602856 986252405 /nfs/dbraw/zinc/25/24/05/986252405.db2.gz MPHVNJUCZLARJJ-AAEUAGOBSA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@@H](O)CNC(=[NH2+])C1CCCCCC1 ZINC001253603050 986258095 /nfs/dbraw/zinc/25/80/95/986258095.db2.gz QQHGZHGCHXZHMT-LLVKDONJSA-N 1 0 210.321 2.071 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCC1CCC(F)(F)CC1 ZINC001253609438 986275870 /nfs/dbraw/zinc/27/58/70/986275870.db2.gz SHPGUNXHCVDUAQ-LLVKDONJSA-N 1 0 233.302 2.339 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc2ccoc2c1 ZINC001253609698 986276393 /nfs/dbraw/zinc/27/63/93/986276393.db2.gz XUXUOMZYLGPCFJ-GFCCVEGCSA-N 1 0 217.268 2.069 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001253610135 986284269 /nfs/dbraw/zinc/28/42/69/986284269.db2.gz AZLZEIAUDHVYDF-GUBZILKMSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](CC)[C@H]2C)nn1 ZINC001462122960 986287394 /nfs/dbraw/zinc/28/73/94/986287394.db2.gz GSOJQEDHYSCBAE-CHWSQXEVSA-N 1 0 248.374 2.475 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(Cl)cc1O ZINC001462126242 986293065 /nfs/dbraw/zinc/29/30/65/986293065.db2.gz IJFFAKRANKQJFE-NSHDSACASA-N 1 0 241.718 2.336 20 30 BEEDRO C#CCC[NH2+]C1CCC(OC(C)C)CC1 ZINC000707404343 986294088 /nfs/dbraw/zinc/29/40/88/986294088.db2.gz OUORBKDUWKCEKN-UHFFFAOYSA-N 1 0 209.333 2.336 20 30 BEEDRO CC(C)SCCN1CCC[C@H](C#N)C1 ZINC000381563512 986303520 /nfs/dbraw/zinc/30/35/20/986303520.db2.gz XXPYQTAHTOEPOS-LLVKDONJSA-N 1 0 212.362 2.364 20 30 BEEDRO COc1ccc(-c2cccc(C[NH3+])n2)cc1C#N ZINC001244705809 986312190 /nfs/dbraw/zinc/31/21/90/986312190.db2.gz CHUPSXXKUCHQIZ-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462459321 986396714 /nfs/dbraw/zinc/39/67/14/986396714.db2.gz GMYIYIXQSIKJKA-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO CCCCCCC[N@@H+]1CCSC[C@@H]1CO ZINC000689211407 986410864 /nfs/dbraw/zinc/41/08/64/986410864.db2.gz SLVFQGUNYRNQPW-LBPRGKRZSA-N 1 0 231.405 2.367 20 30 BEEDRO N#Cc1ccc2c(c1)CCCN2C[C@H]1CCC[NH2+]1 ZINC001580072616 986513245 /nfs/dbraw/zinc/51/32/45/986513245.db2.gz YZXCYOAENJRDFF-CQSZACIVSA-N 1 0 241.338 2.063 20 30 BEEDRO N#Cc1cccc2c1CCCN2C[C@H]1CCC[NH2+]1 ZINC001580078112 986513752 /nfs/dbraw/zinc/51/37/52/986513752.db2.gz LNMHSRQALNLGPC-CYBMUJFWSA-N 1 0 241.338 2.063 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)cc1OC ZINC001464602812 986648013 /nfs/dbraw/zinc/64/80/13/986648013.db2.gz FKNUYFGPNJRNCO-UHFFFAOYSA-N 1 0 248.326 2.060 20 30 BEEDRO C=C1CCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001464850670 986663144 /nfs/dbraw/zinc/66/31/44/986663144.db2.gz SRCZGASDHPEXKY-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001254639349 986683328 /nfs/dbraw/zinc/68/33/28/986683328.db2.gz UTZUOJDLYGJTEA-AAEUAGOBSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](CC)CC1 ZINC001465070023 986687435 /nfs/dbraw/zinc/68/74/35/986687435.db2.gz LMXLGFPRMVJZCH-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO N#C[C@@H]1CC[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001254639831 986691727 /nfs/dbraw/zinc/69/17/27/986691727.db2.gz XNWDUWPUARCHGC-SKDRFNHKSA-N 1 0 246.289 2.218 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254645213 986696525 /nfs/dbraw/zinc/69/65/25/986696525.db2.gz AZGWIORCMRRJCW-RYPNDVFKSA-N 1 0 247.386 2.284 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccn2)C1 ZINC001254645480 986698525 /nfs/dbraw/zinc/69/85/25/986698525.db2.gz CXRBTPQFUHGSOG-GXSJLCMTSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001254655656 986706670 /nfs/dbraw/zinc/70/66/70/986706670.db2.gz FGSFZKQPSUITCB-NEPJUHHUSA-N 1 0 240.310 2.116 20 30 BEEDRO C[C@]1(CF)CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC001254660305 986709031 /nfs/dbraw/zinc/70/90/31/986709031.db2.gz HIVZQDRPODOSNL-GRYCIOLGSA-N 1 0 210.296 2.360 20 30 BEEDRO CCCC[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254669269 986718518 /nfs/dbraw/zinc/71/85/18/986718518.db2.gz QAUTUMWVNQBQHG-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001254670733 986722654 /nfs/dbraw/zinc/72/26/54/986722654.db2.gz LYYLRPKXBYIOIW-KSTCHIGDSA-N 1 0 229.327 2.445 20 30 BEEDRO CC(C)[N@@H+]1CCN([C@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC001254674871 986726613 /nfs/dbraw/zinc/72/66/13/986726613.db2.gz ABQFZNKKCQCWAG-MJBXVCDLSA-N 1 0 235.375 2.093 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254846713 986733048 /nfs/dbraw/zinc/73/30/48/986733048.db2.gz VOYAUIWEFNWPMU-AWEZNQCLSA-N 1 0 234.387 2.110 20 30 BEEDRO CC1(C#N)CC[NH+](C2C[C@@H]3CC(=O)C[C@H]3C2)CC1 ZINC001254957067 986761263 /nfs/dbraw/zinc/76/12/63/986761263.db2.gz RPMPVWDXGKREAZ-VXGBXAGGSA-N 1 0 246.354 2.370 20 30 BEEDRO C#CC1CC[NH+](Cc2[nH]c(C)cc2C)CC1 ZINC001137330956 986791192 /nfs/dbraw/zinc/79/11/92/986791192.db2.gz JKTBMIZFTJDTSW-UHFFFAOYSA-N 1 0 216.328 2.477 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccc(OC)cc1 ZINC001255156467 986828679 /nfs/dbraw/zinc/82/86/79/986828679.db2.gz JWJRXYXZZZZIJQ-OCCSQVGLSA-N 1 0 248.326 2.010 20 30 BEEDRO CC[C@H](CC#N)n1nc(CC[NH3+])c2ccccc21 ZINC001255155890 986829879 /nfs/dbraw/zinc/82/98/79/986829879.db2.gz VDRACEKYLHBKFF-LLVKDONJSA-N 1 0 242.326 2.402 20 30 BEEDRO CCOC(=O)CCCCC[NH2+][C@@H](CC)CC#N ZINC001255155928 986830124 /nfs/dbraw/zinc/83/01/24/986830124.db2.gz VPBAFPXQXXVFCJ-LBPRGKRZSA-N 1 0 240.347 2.392 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000384181153 986846677 /nfs/dbraw/zinc/84/66/77/986846677.db2.gz QDDKQECALYMGBD-FRRDWIJNSA-N 1 0 209.333 2.336 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)Cc2ccno2)cc1 ZINC001462255344 986854291 /nfs/dbraw/zinc/85/42/91/986854291.db2.gz NCHLBOGFQLFPMA-LBPRGKRZSA-N 1 0 240.306 2.377 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC(n2ccnc2)CC1 ZINC001255174932 986870369 /nfs/dbraw/zinc/87/03/69/986870369.db2.gz KELDYNQHGDFEQU-LBPRGKRZSA-N 1 0 232.331 2.212 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCSC2)CC1 ZINC001255269799 986880876 /nfs/dbraw/zinc/88/08/76/986880876.db2.gz OSSQMWRBTHIZLS-AXFHLTTASA-N 1 0 210.346 2.164 20 30 BEEDRO N#CCc1ccc(-c2ccncc2C[NH3+])cc1F ZINC001245557082 986942602 /nfs/dbraw/zinc/94/26/02/986942602.db2.gz BSBXDXHQWNBOSO-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO N#Cc1c(F)cc(-c2ccncc2C[NH3+])cc1F ZINC001245559224 986950432 /nfs/dbraw/zinc/95/04/32/986950432.db2.gz DXZAQCNGAYUILR-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO N#CCc1cccc(-c2ccncc2C[NH3+])c1F ZINC001245560239 986953789 /nfs/dbraw/zinc/95/37/89/986953789.db2.gz QFTPWRNTQQLTOP-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO [NH3+]Cc1cnccc1-c1cccc(/C=N/O)c1 ZINC001245562315 986958736 /nfs/dbraw/zinc/95/87/36/986958736.db2.gz FCVBDAWNEHONSE-LZYBPNLTSA-N 1 0 227.267 2.015 20 30 BEEDRO Cc1ccc(C#N)c(-c2cccc(C[NH3+])n2)c1 ZINC001245602329 986984434 /nfs/dbraw/zinc/98/44/34/986984434.db2.gz PVHQRGDTQKYESE-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001491051050 987105991 /nfs/dbraw/zinc/10/59/91/987105991.db2.gz QPIVHEFKYJBMAT-TXEJJXNPSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC(C)C)C1 ZINC001491048975 987108531 /nfs/dbraw/zinc/10/85/31/987108531.db2.gz ZADSFERICPFCJG-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)[C@H](C)CC)C1 ZINC001491068155 987115106 /nfs/dbraw/zinc/11/51/06/987115106.db2.gz YKSFAJWXFJSZGD-XQHKEYJVSA-N 1 0 238.375 2.091 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2nccnc2C#N)cc1 ZINC001245908400 987136474 /nfs/dbraw/zinc/13/64/74/987136474.db2.gz LTIJQKRSWYKNTM-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO CC(C)(C#N)CC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472134287 987190955 /nfs/dbraw/zinc/19/09/55/987190955.db2.gz UBLWGSGMFKYULS-UHFFFAOYSA-N 1 0 242.282 2.213 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CCC)C1 ZINC001102636926 987227239 /nfs/dbraw/zinc/22/72/39/987227239.db2.gz DKQXHBCIWNUYOX-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH2+]CCCC ZINC001491548821 987228564 /nfs/dbraw/zinc/22/85/64/987228564.db2.gz PSTAPTUAXZFKOX-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CCCCCCCC[C@@H](O)CNC[C@@H]1CC[NH2+]1 ZINC001245980874 987261904 /nfs/dbraw/zinc/26/19/04/987261904.db2.gz JFVFZCJAPAGLRX-UONOGXRCSA-N 1 0 242.407 2.049 20 30 BEEDRO CC[N@@H+]1CCCN(c2cc(F)ccc2C#N)CC1 ZINC001472687044 987268200 /nfs/dbraw/zinc/26/82/00/987268200.db2.gz QBUAYGLHZYINBG-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO CCCCCCCC[C@H](O)CN1CC(C)([NH3+])C1 ZINC001246014289 987298179 /nfs/dbraw/zinc/29/81/79/987298179.db2.gz AKOBYBLWXRBYCD-ZDUSSCGKSA-N 1 0 242.407 2.131 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000699889424 987379939 /nfs/dbraw/zinc/37/99/39/987379939.db2.gz OUEAGWSOTOVLBK-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]CCNc2ncccc2C#N)C1 ZINC001116132215 987450872 /nfs/dbraw/zinc/45/08/72/987450872.db2.gz XYYDTTBVLBGBQM-DGCLKSJQSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]CCNc2ncccc2C#N)C1 ZINC001116132216 987451750 /nfs/dbraw/zinc/45/17/50/987451750.db2.gz XYYDTTBVLBGBQM-WCQYABFASA-N 1 0 244.342 2.143 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[C@@H]1C ZINC001473539454 987473199 /nfs/dbraw/zinc/47/31/99/987473199.db2.gz IGVOKKIQIYCASH-MELADBBJSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@@H]1CCCC[C@H]1C ZINC001473539453 987473494 /nfs/dbraw/zinc/47/34/94/987473494.db2.gz IGVOKKIQIYCASH-HZSPNIEDSA-N 1 0 221.344 2.147 20 30 BEEDRO C[C@H]1Cc2n[nH]cc2C[N@@H+](CC2(CC#N)CC2)C1 ZINC001473795876 987564985 /nfs/dbraw/zinc/56/49/85/987564985.db2.gz JJPWSOBOGOXHMA-NSHDSACASA-N 1 0 244.342 2.098 20 30 BEEDRO C=C(C)CC[NH+]1CCN(CC(C)(F)F)CC1 ZINC001473828891 987571467 /nfs/dbraw/zinc/57/14/67/987571467.db2.gz ISWMURMCBSPTNA-UHFFFAOYSA-N 1 0 232.318 2.225 20 30 BEEDRO C#CCC1([NH2+]CCN2C[C@H](C)C[C@H](C)C2)CCC1 ZINC001473820173 987572982 /nfs/dbraw/zinc/57/29/82/987572982.db2.gz ZLTHQBLEGUQXPU-GASCZTMLSA-N 1 0 248.414 2.500 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(F)c(OC)c1 ZINC001116442250 987579945 /nfs/dbraw/zinc/57/99/45/987579945.db2.gz NOHYLBQOKFFMRC-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCOCCOCC ZINC001473857255 987588779 /nfs/dbraw/zinc/58/87/79/987588779.db2.gz KPYCIGFSWUSLCL-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001473890007 987603596 /nfs/dbraw/zinc/60/35/96/987603596.db2.gz REWWJAASPSQETK-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001116541262 987621007 /nfs/dbraw/zinc/62/10/07/987621007.db2.gz CNTDWZJLLIZSSD-HNNXBMFYSA-N 1 0 247.338 2.342 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC001116554784 987625092 /nfs/dbraw/zinc/62/50/92/987625092.db2.gz FKAWFCJKVVPFKS-AWEZNQCLSA-N 1 0 247.338 2.472 20 30 BEEDRO CC#CCCOC(=O)c1ccc2c[nH+]cn2c1C ZINC001116604270 987642496 /nfs/dbraw/zinc/64/24/96/987642496.db2.gz SJOFCIXFJDOZRA-UHFFFAOYSA-N 1 0 242.278 2.213 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001116619965 987643449 /nfs/dbraw/zinc/64/34/49/987643449.db2.gz CGRHHKAOTXAYMA-HUUCEWRRSA-N 1 0 231.339 2.335 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2ccccc2C1 ZINC001116619961 987647378 /nfs/dbraw/zinc/64/73/78/987647378.db2.gz CGRHHKAOTXAYMA-CABCVRRESA-N 1 0 231.339 2.335 20 30 BEEDRO CC#CCC[NH2+]Cc1cccn1C(F)F ZINC001474407880 987715931 /nfs/dbraw/zinc/71/59/31/987715931.db2.gz GSQQFXLSJWHZDE-UHFFFAOYSA-N 1 0 212.243 2.386 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC001474529102 987744031 /nfs/dbraw/zinc/74/40/31/987744031.db2.gz GKIYCLKFNBZWPU-VXGBXAGGSA-N 1 0 240.322 2.035 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(CF)CCOCC2)C1 ZINC001474529099 987748106 /nfs/dbraw/zinc/74/81/06/987748106.db2.gz GKIYCLKFNBZWPU-NEPJUHHUSA-N 1 0 240.322 2.035 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)[C@H]1COC(C)(C)O1)C(C)(C)C ZINC001474562341 987761936 /nfs/dbraw/zinc/76/19/36/987761936.db2.gz BEWHHCDHMCNOGT-QJPTWQEYSA-N 1 0 239.359 2.164 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H](C)[C@H]1CCC(C)=C(C)C1 ZINC001474648893 987792572 /nfs/dbraw/zinc/79/25/72/987792572.db2.gz SNBOFEWMHBVNPR-MELADBBJSA-N 1 0 221.344 2.095 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CO)c1ncc[nH]1 ZINC001474724271 987809928 /nfs/dbraw/zinc/80/99/28/987809928.db2.gz PZLPEYVZHXCJEG-NWDGAFQWSA-N 1 0 237.347 2.168 20 30 BEEDRO C#CC1(N[C@H]2CC[C@@H](C)[NH2+]C2)CCCCC1 ZINC001246461575 987818477 /nfs/dbraw/zinc/81/84/77/987818477.db2.gz DJMUVSHZSIVQPM-OLZOCXBDSA-N 1 0 220.360 2.053 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]CCCCCCS)CN1 ZINC001246461336 987818537 /nfs/dbraw/zinc/81/85/37/987818537.db2.gz APHNAECZIWAEHT-NWDGAFQWSA-N 1 0 230.421 2.207 20 30 BEEDRO CC(C)C[C@](C)(C#N)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246464847 987821816 /nfs/dbraw/zinc/82/18/16/987821816.db2.gz UCJFJOVVAHFOFR-QNMSZWNNSA-N 1 0 235.375 2.187 20 30 BEEDRO C=C(C)CC[N@@H+](CC(=O)OC)CC(C)C ZINC001117341178 987825198 /nfs/dbraw/zinc/82/51/98/987825198.db2.gz YALJGCYUVKCWIP-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO N#Cc1cc(CNC2CC[NH2+]CC2)ccc1Cl ZINC001246470377 987828932 /nfs/dbraw/zinc/82/89/32/987828932.db2.gz MYQNGDBWTWHPHN-UHFFFAOYSA-N 1 0 249.745 2.053 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3CNC[C@@H]4C[C@@H]43)C[C@H](C1)C2 ZINC001246501159 987855701 /nfs/dbraw/zinc/85/57/01/987855701.db2.gz ANJBIBZAHSALKO-UCHDVTTGSA-N 1 0 246.398 2.319 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1CC[C@H](SC)C1 ZINC001117705554 987868915 /nfs/dbraw/zinc/86/89/15/987868915.db2.gz VSMHGFDQUUSREA-RYUDHWBXSA-N 1 0 229.389 2.405 20 30 BEEDRO CCCCCCC[C@H](C)N1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001246538629 987897193 /nfs/dbraw/zinc/89/71/93/987897193.db2.gz IKKROQPKLMRMHA-BFHYXJOUSA-N 1 0 242.407 2.129 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(C)=O ZINC001479548972 987902464 /nfs/dbraw/zinc/90/24/64/987902464.db2.gz HUGMTTNOZJCTKA-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C1CC(CNC(=O)[C@@H](C)CC)C1 ZINC001479754845 987905360 /nfs/dbraw/zinc/90/53/60/987905360.db2.gz HYNIPYBQKWGMBU-HIFPTAJRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)[C@H](C)C(C)C ZINC001479799765 987911917 /nfs/dbraw/zinc/91/19/17/987911917.db2.gz BEAQFZRXAGIEKS-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)CC)C1 ZINC001479902692 987920295 /nfs/dbraw/zinc/92/02/95/987920295.db2.gz XNJOEMZYMSVXDK-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H]1CC[C@@H](CN)[N@@H+]1C1CCC(C)(C#N)CC1 ZINC001246545392 987921438 /nfs/dbraw/zinc/92/14/38/987921438.db2.gz KIDAQIJWEMHSPO-AHPWVWPOSA-N 1 0 235.375 2.270 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCC(=O)CC)C1 ZINC001117801600 987924004 /nfs/dbraw/zinc/92/40/04/987924004.db2.gz UKJWEBLHGKSSJY-CYBMUJFWSA-N 1 0 225.332 2.023 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccco2)C1 ZINC001479943707 987928387 /nfs/dbraw/zinc/92/83/87/987928387.db2.gz ZKBLHOFSXNQBGU-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CC(=C)C)C1 ZINC001480115824 987946787 /nfs/dbraw/zinc/94/67/87/987946787.db2.gz NFEMABHGHCCTFO-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cc(F)ccc1C ZINC001321602136 987948890 /nfs/dbraw/zinc/94/88/90/987948890.db2.gz KNUJKJNISVLNCP-UHFFFAOYSA-N 1 0 235.302 2.216 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)CC(CC)CC)C1 ZINC001480165334 987950341 /nfs/dbraw/zinc/95/03/41/987950341.db2.gz LTTLJQWHZHAHIM-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@H]1CNC(=O)CCC ZINC001480309602 987959444 /nfs/dbraw/zinc/95/94/44/987959444.db2.gz BZOYKCAZMXYXJK-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC(C)C ZINC001480416603 987972865 /nfs/dbraw/zinc/97/28/65/987972865.db2.gz OKXNWZGSCVRSJX-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]C[C@H](C)CC ZINC001321800451 988003226 /nfs/dbraw/zinc/00/32/26/988003226.db2.gz GEDHTQZMCHIKJW-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC1(C(=O)NC[C@H](C)[NH2+]CC)CCCC1 ZINC001480604257 988008607 /nfs/dbraw/zinc/00/86/07/988008607.db2.gz JSSSJSUPKQRBPQ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)CC1CCC1 ZINC001480757240 988029854 /nfs/dbraw/zinc/02/98/54/988029854.db2.gz FJROWEDQPJZGJS-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@H](C)[NH2+]CC ZINC001480783280 988038513 /nfs/dbraw/zinc/03/85/13/988038513.db2.gz FQVPFUJKBWWYPQ-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1(CC)CC1 ZINC001321977956 988070673 /nfs/dbraw/zinc/07/06/73/988070673.db2.gz HYHWWYNFMVDGHB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001321978609 988070970 /nfs/dbraw/zinc/07/09/70/988070970.db2.gz PKRUQXOALWBGPB-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N(C)CC[NH2+]CC1CC(C)C1 ZINC001493497228 988092044 /nfs/dbraw/zinc/09/20/44/988092044.db2.gz ZXQBWAILPDUJBZ-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@@H](C)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001246577354 988095554 /nfs/dbraw/zinc/09/55/54/988095554.db2.gz VQJRWMQOGYKTJG-ZJUUUORDSA-N 1 0 218.291 2.009 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)CCC(C)(F)F ZINC001493600123 988097477 /nfs/dbraw/zinc/09/74/77/988097477.db2.gz CYZLRGNQSJFZLI-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001494304686 988125053 /nfs/dbraw/zinc/12/50/53/988125053.db2.gz CDPLYFGRXGWISF-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)NC1C[NH+]([C@H](C)CCC=C)C1 ZINC001494354892 988134687 /nfs/dbraw/zinc/13/46/87/988134687.db2.gz JPWSXOXANJHTRT-GFCCVEGCSA-N 1 0 236.359 2.108 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ccc(F)cc1F ZINC001322140096 988139719 /nfs/dbraw/zinc/13/97/19/988139719.db2.gz IFPWPWLBKJYBGG-JTQLQIEISA-N 1 0 223.266 2.461 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC1CC1 ZINC001322217421 988154343 /nfs/dbraw/zinc/15/43/43/988154343.db2.gz FVOFPRIKHHKCEF-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)C)C1 ZINC001278456724 988178330 /nfs/dbraw/zinc/17/83/30/988178330.db2.gz OAYSWYBXDBLAQE-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001494848766 988191554 /nfs/dbraw/zinc/19/15/54/988191554.db2.gz UDVUORHRHOKFDS-GXTWGEPZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001494841155 988193345 /nfs/dbraw/zinc/19/33/45/988193345.db2.gz FTUKEMPBPGAMIE-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC(=O)N1CC[NH+](C(C)(C)C)CC1 ZINC001322301080 988193932 /nfs/dbraw/zinc/19/39/32/988193932.db2.gz QJDJRABNYPMXCM-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C=C(C)C ZINC001494935504 988199637 /nfs/dbraw/zinc/19/96/37/988199637.db2.gz FUWRMPABSXPIDC-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(C)C)C1 ZINC001118307347 988211235 /nfs/dbraw/zinc/21/12/35/988211235.db2.gz DBQLLOPLEMPVFB-CHWSQXEVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(NC(C)=O)C1CC1 ZINC001495218666 988217665 /nfs/dbraw/zinc/21/76/65/988217665.db2.gz VSMHCUMKPNPWRL-RISCZKNCSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CCC(C)C ZINC001495618327 988230266 /nfs/dbraw/zinc/23/02/66/988230266.db2.gz KRSCSIATVIIUOI-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1C[C@@H]1C ZINC001322395447 988241664 /nfs/dbraw/zinc/24/16/64/988241664.db2.gz OQVQHFWNKKLQON-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1ccccc1NC(=[NH2+])NCC(C)(C)C#N ZINC001118349739 988245083 /nfs/dbraw/zinc/24/50/83/988245083.db2.gz DWZBZXJBJYKRAQ-UHFFFAOYSA-N 1 0 230.315 2.481 20 30 BEEDRO C=CCC1(C(=O)NC[C@H](C)C[NH2+]CC)CCC1 ZINC001495733870 988250214 /nfs/dbraw/zinc/25/02/14/988250214.db2.gz KDTYFMZUIWOREV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CC ZINC001496005631 988272034 /nfs/dbraw/zinc/27/20/34/988272034.db2.gz XSOZTDLZWRZADI-KOLCDFICSA-N 1 0 246.782 2.222 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]C[C@@H](C)CC ZINC001496018612 988273288 /nfs/dbraw/zinc/27/32/88/988273288.db2.gz VNIXBMYSUNYSAM-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)CC ZINC001496001652 988274549 /nfs/dbraw/zinc/27/45/49/988274549.db2.gz ISNVDLRBFZANQR-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C1(C)CCC1 ZINC001496133001 988286589 /nfs/dbraw/zinc/28/65/89/988286589.db2.gz SCBKCHSJVWAKJI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)C1CC(C)C1 ZINC001322461719 988288621 /nfs/dbraw/zinc/28/86/21/988288621.db2.gz REPFPLXIMCPRND-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)CCC ZINC001496143501 988292299 /nfs/dbraw/zinc/29/22/99/988292299.db2.gz QCJMMWUFLLPKRW-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)C1(CC)CCC1 ZINC001496763128 988332601 /nfs/dbraw/zinc/33/26/01/988332601.db2.gz ATJCRYSTTBTIOE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ncccc1C#N ZINC001322680092 988364216 /nfs/dbraw/zinc/36/42/16/988364216.db2.gz DKQMUUXPLJCOQJ-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC001497275698 988367656 /nfs/dbraw/zinc/36/76/56/988367656.db2.gz JOGZBFZHUIHGMN-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001497247925 988368656 /nfs/dbraw/zinc/36/86/56/988368656.db2.gz MCONNOWFLYMDQI-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)c1ccccc1 ZINC001497517343 988385106 /nfs/dbraw/zinc/38/51/06/988385106.db2.gz IIBMYFAFJCOWAK-VOTSOKGWSA-N 1 0 244.338 2.138 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCN[C@H](C(C)C)C1 ZINC001246686415 988429248 /nfs/dbraw/zinc/42/92/48/988429248.db2.gz NDYZZAVJXJDQDH-OLZOCXBDSA-N 1 0 210.365 2.271 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001497905947 988431373 /nfs/dbraw/zinc/43/13/73/988431373.db2.gz UITDKBHIKNRQPC-DGCLKSJQSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CCC(C)C ZINC001498008466 988441757 /nfs/dbraw/zinc/44/17/57/988441757.db2.gz SNAGALCYTRTSAH-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCNC[C@H]1CO ZINC001246703851 988442801 /nfs/dbraw/zinc/44/28/01/988442801.db2.gz WGWPMWJBKUXAIX-KBPBESRZSA-N 1 0 242.407 2.002 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC(C)C ZINC001498092150 988454751 /nfs/dbraw/zinc/45/47/51/988454751.db2.gz AYPHOCMFONUBSX-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246769471 988454896 /nfs/dbraw/zinc/45/48/96/988454896.db2.gz KLIFTCJJAHIXKG-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO CCCCCCC[N@H+](CC)[C@H]1CNC(=O)C1 ZINC001246771785 988456720 /nfs/dbraw/zinc/45/67/20/988456720.db2.gz ZNOQULVDMQDEQC-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C1CC(C)(C)C1 ZINC001498542591 988492531 /nfs/dbraw/zinc/49/25/31/988492531.db2.gz FDCPOHKXRVCWLC-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H](C)CC ZINC001498516499 988492560 /nfs/dbraw/zinc/49/25/60/988492560.db2.gz RUTJRGQCUIHWFX-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C=C(C)C ZINC001498920656 988515197 /nfs/dbraw/zinc/51/51/97/988515197.db2.gz ORQCXUSTFLNJDT-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001498948802 988526840 /nfs/dbraw/zinc/52/68/40/988526840.db2.gz XOKPJXIWHRUWSI-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)C(C)C ZINC001499074828 988530794 /nfs/dbraw/zinc/53/07/94/988530794.db2.gz ZORCYDYLEJHKPF-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1CC[C@@H](N(CC#N)Cc2ccccc2)C[NH2+]1 ZINC001246836285 988543050 /nfs/dbraw/zinc/54/30/50/988543050.db2.gz WDUGCAOGRLCMAQ-UKRRQHHQSA-N 1 0 243.354 2.153 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@@H]1C[NH2+][C@@H](C)C1 ZINC001246840840 988544465 /nfs/dbraw/zinc/54/44/65/988544465.db2.gz RKFWVXLVGLBRMB-ZFWWWQNUSA-N 1 0 230.355 2.425 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)C(C)(C)CC)CC1 ZINC001499335588 988545885 /nfs/dbraw/zinc/54/58/85/988545885.db2.gz VWLDCTGUXYJXNJ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CC)C[C@H]1C ZINC001499845543 988558692 /nfs/dbraw/zinc/55/86/92/988558692.db2.gz ZWXIOYHLNRQHDK-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](C)N(CC)[C@@H]1CCC[NH2+]C1 ZINC001246853215 988572846 /nfs/dbraw/zinc/57/28/46/988572846.db2.gz IPFGUZKMMIMUJQ-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[NH2+]CC[C@H]1CCN(C(=O)CC(C)C)C1 ZINC001501527584 988606576 /nfs/dbraw/zinc/60/65/76/988606576.db2.gz HTUFHLBBFLFUNA-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC1([NH2+]CC)CCC1 ZINC001501997874 988621346 /nfs/dbraw/zinc/62/13/46/988621346.db2.gz YKTHYBFJMWTWEV-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC001324022267 988667926 /nfs/dbraw/zinc/66/79/26/988667926.db2.gz PYDNSLWINQABTG-FZMZJTMJSA-N 1 0 230.311 2.410 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCC)[C@H](C)C1 ZINC001324040328 988675840 /nfs/dbraw/zinc/67/58/40/988675840.db2.gz ANUDUNGJCMZCNN-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccco1 ZINC001505418003 988684243 /nfs/dbraw/zinc/68/42/43/988684243.db2.gz PKSMRGHCQWIZCV-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC ZINC001505421325 988684543 /nfs/dbraw/zinc/68/45/43/988684543.db2.gz UFJADWXVRNOPER-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@H](C)[NH2+]CCC(=C)C ZINC001505575866 988692158 /nfs/dbraw/zinc/69/21/58/988692158.db2.gz RYHMKVWERAWJTF-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO CCCC[N@H+](C)CCNc1cccc(CC#N)n1 ZINC001324085356 988693892 /nfs/dbraw/zinc/69/38/92/988693892.db2.gz NUXUBHKWHIZVQL-UHFFFAOYSA-N 1 0 246.358 2.291 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)C ZINC001505735650 988714162 /nfs/dbraw/zinc/71/41/62/988714162.db2.gz NSZCBJQQSQKUHS-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO CC(C)(O)C[NH+]1CCC(=NOC(C)(C)C)CC1 ZINC001324162298 988733592 /nfs/dbraw/zinc/73/35/92/988733592.db2.gz DUEQDSCJOXGUOT-UHFFFAOYSA-N 1 0 242.363 2.024 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CC ZINC001505874531 988736393 /nfs/dbraw/zinc/73/63/93/988736393.db2.gz UHOYXZUCQSSTGO-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CCC ZINC001505886436 988738863 /nfs/dbraw/zinc/73/88/63/988738863.db2.gz IBASUOHOCCJYBP-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C(CC)CC ZINC001505873699 988739302 /nfs/dbraw/zinc/73/93/02/988739302.db2.gz GJZHDDSLDAORML-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC ZINC001505874532 988739914 /nfs/dbraw/zinc/73/99/14/988739914.db2.gz UHOYXZUCQSSTGO-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[C@H]1C ZINC001506546716 988783395 /nfs/dbraw/zinc/78/33/95/988783395.db2.gz PDHPSAQBDVUOIR-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+]CC1(NC(C)=O)CCCCC1 ZINC001506490546 988784338 /nfs/dbraw/zinc/78/43/38/988784338.db2.gz YZKCVDQPOABHEL-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)C=C(C)C)CC1 ZINC001324291839 988785603 /nfs/dbraw/zinc/78/56/03/988785603.db2.gz NRWVQPKEVWTLQC-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)CCC[NH2+]CC ZINC001506943203 988801887 /nfs/dbraw/zinc/80/18/87/988801887.db2.gz NEMDSXUMCUVEEY-GXTWGEPZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N1CCC([N@H+](C)CC=C)CC1 ZINC001506955828 988801934 /nfs/dbraw/zinc/80/19/34/988801934.db2.gz NQFVZFFNOZEMDN-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(F)F ZINC001507038920 988804191 /nfs/dbraw/zinc/80/41/91/988804191.db2.gz NDXMOWFEJODHGG-ZJUUUORDSA-N 1 0 248.317 2.043 20 30 BEEDRO CC[C@H]([NH3+])CN(C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001246979872 988812113 /nfs/dbraw/zinc/81/21/13/988812113.db2.gz FFWZKIBNIBLHQF-DOMZBBRYSA-N 1 0 245.370 2.158 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)CCCC ZINC001507069102 988813537 /nfs/dbraw/zinc/81/35/37/988813537.db2.gz JPLVDPKRMCVUHP-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)C[C@H](C)[NH2+]CC(C)C ZINC001507110810 988814393 /nfs/dbraw/zinc/81/43/93/988814393.db2.gz PVKLBRVYDMWLQU-LBPRGKRZSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CCC(C)(C#N)CC1 ZINC001324368269 988815208 /nfs/dbraw/zinc/81/52/08/988815208.db2.gz HSAQSFYTUKHVKJ-HIFPTAJRSA-N 1 0 222.332 2.249 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246995248 988827622 /nfs/dbraw/zinc/82/76/22/988827622.db2.gz YNHUCZNHDPUNEI-VHSXEESVSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001507404185 988839246 /nfs/dbraw/zinc/83/92/46/988839246.db2.gz KEFIOZMWBWLCOD-KBPBESRZSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C=C2CCC2)C1 ZINC001507404188 988839611 /nfs/dbraw/zinc/83/96/11/988839611.db2.gz KEFIOZMWBWLCOD-ZIAGYGMSSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C1(C)CC1)C(C)(C)C ZINC001507949287 988845871 /nfs/dbraw/zinc/84/58/71/988845871.db2.gz RXWXRZODOQMRNO-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)/C(C)=C\C)C(C)(C)C ZINC001507907378 988847043 /nfs/dbraw/zinc/84/70/43/988847043.db2.gz NAYCPEKXYMEZPE-NXIHDVOMSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CCCC[NH2+]Cc1cccn1C1CC1 ZINC001119282983 988884408 /nfs/dbraw/zinc/88/44/08/988884408.db2.gz MCUDJMBTPDVSAE-UHFFFAOYSA-N 1 0 202.301 2.326 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC001119301095 988907764 /nfs/dbraw/zinc/90/77/64/988907764.db2.gz PHONRFOLWCPQIB-KGLIPLIRSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001119306850 988924709 /nfs/dbraw/zinc/92/47/09/988924709.db2.gz VNHIAXSNXMQYTF-YNEHKIRRSA-N 1 0 209.333 2.452 20 30 BEEDRO C#CCOCC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC001324702792 988938556 /nfs/dbraw/zinc/93/85/56/988938556.db2.gz XCGYIGWNGOMNMI-UHFFFAOYSA-N 1 0 245.313 2.394 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CC(C)(C)C[NH3+] ZINC001514881223 988957815 /nfs/dbraw/zinc/95/78/15/988957815.db2.gz GSXRLQFNPOQOQO-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[C@H]([NH3+])C1CC1 ZINC001514882731 988959390 /nfs/dbraw/zinc/95/93/90/988959390.db2.gz MMTSYFPQFJMZJG-STQMWFEESA-N 1 0 236.359 2.071 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CCO[C@H](C)C2)C1 ZINC001324793540 988984663 /nfs/dbraw/zinc/98/46/63/988984663.db2.gz PZUBPWOUKDQRAP-HZSPNIEDSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H]2CCO[C@@H](C)C2)C1 ZINC001324793541 988986412 /nfs/dbraw/zinc/98/64/12/988986412.db2.gz PZUBPWOUKDQRAP-MELADBBJSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCCC(=O)NC[C@]1(C)CCC[N@@H+](CC)C1 ZINC001324923411 989020472 /nfs/dbraw/zinc/02/04/72/989020472.db2.gz YTGJBMLBBRLCJH-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO CCc1cc(C#N)ccc1C[NH+]1CC(COC)C1 ZINC001248748671 989139767 /nfs/dbraw/zinc/13/97/67/989139767.db2.gz RVOKFMLOTHDFRN-UHFFFAOYSA-N 1 0 244.338 2.199 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CCO[C@@H](C)C1 ZINC001248748647 989140811 /nfs/dbraw/zinc/14/08/11/989140811.db2.gz QORARUQZFJJSSG-LBPRGKRZSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CCO[C@H](C)C1 ZINC001248748646 989141895 /nfs/dbraw/zinc/14/18/95/989141895.db2.gz QORARUQZFJJSSG-GFCCVEGCSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@H+](C)[C@@H]1CCOC1 ZINC001248751689 989143882 /nfs/dbraw/zinc/14/38/82/989143882.db2.gz GLRSOWUYFQKPAD-OAHLLOKOSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@H+](C)CC1COC1 ZINC001248751867 989147985 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990339533 /nfs/dbraw/zinc/33/95/33/990339533.db2.gz KXSGLHUNHMMZJM-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[C@@H]1CCC[NH2+]1 ZINC001122374670 990362165 /nfs/dbraw/zinc/36/21/65/990362165.db2.gz WLALPJDZINNYBK-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C=C(C)C ZINC001122997459 990485136 /nfs/dbraw/zinc/48/51/36/990485136.db2.gz VMAYANDRNVGEOM-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)c1cccc(C)c1 ZINC001123007522 990487141 /nfs/dbraw/zinc/48/71/41/990487141.db2.gz GVPMQNBIVFTMJB-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCC(C)C ZINC001123250385 990533097 /nfs/dbraw/zinc/53/30/97/990533097.db2.gz RTJRABQRORDRHX-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@@H]1C=CCC1 ZINC001123298457 990543700 /nfs/dbraw/zinc/54/37/00/990543700.db2.gz WGBVOCOJRMTGBJ-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC001123481944 990595183 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992265855 /nfs/dbraw/zinc/26/58/55/992265855.db2.gz KNEYCMQHEDDSNA-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001569078910 992293860 /nfs/dbraw/zinc/29/38/60/992293860.db2.gz HEHCQHXXFNGBII-GXTWGEPZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@H](COC)[NH2+]C1CCC2(CCCO2)CC1 ZINC001320650458 992295348 /nfs/dbraw/zinc/29/53/48/992295348.db2.gz LWQWLANNTTZUDB-IYXRBSQSSA-N 1 0 239.359 2.269 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)CCC ZINC001320662746 992297215 /nfs/dbraw/zinc/29/72/15/992297215.db2.gz QMBGTOPGIGBENP-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)C ZINC001569157301 992333484 /nfs/dbraw/zinc/33/34/84/992333484.db2.gz FNQRXQNGXQMVJI-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]CCN(CC)C(=O)/C=C(/C)CC ZINC001320724704 992336187 /nfs/dbraw/zinc/33/61/87/992336187.db2.gz NXNZLMWQRHJNDG-SEYXRHQNSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](COC)CC(C)(C)C ZINC001261513185 992358353 /nfs/dbraw/zinc/35/83/53/992358353.db2.gz MGGQAAFZLNYRBF-VXGBXAGGSA-N 1 0 229.364 2.228 20 30 BEEDRO C=C(Cl)C[NH2+]CCN(CC)C(=O)C(C)(C)C ZINC001320900404 992394193 /nfs/dbraw/zinc/39/41/93/992394193.db2.gz DJIISUWHHYBUPD-UHFFFAOYSA-N 1 0 246.782 2.223 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C(C)C)C1 ZINC001569483488 992397567 /nfs/dbraw/zinc/39/75/67/992397567.db2.gz PUXLXXAHTXNOSM-GFCCVEGCSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)c1ccoc1 ZINC001320969658 992418069 /nfs/dbraw/zinc/41/80/69/992418069.db2.gz JMGHOWFWFNEWNS-ARJAWSKDSA-N 1 0 248.326 2.121 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@H]1CCC=CO1 ZINC001320983412 992423650 /nfs/dbraw/zinc/42/36/50/992423650.db2.gz WNUPGDKVQHFVHU-CYBMUJFWSA-N 1 0 205.301 2.024 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C(C)=C1CCCC1 ZINC001321014338 992430152 /nfs/dbraw/zinc/43/01/52/992430152.db2.gz RGXPACALIPGWGP-VOTSOKGWSA-N 1 0 248.370 2.325 20 30 BEEDRO C=CCC[N@@H+](C)CCCN(C)C(=O)CC(C)C ZINC001570189351 992445758 /nfs/dbraw/zinc/44/57/58/992445758.db2.gz USRVLVIREPNAFI-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)CC1(C)CC1 ZINC001570203367 992451295 /nfs/dbraw/zinc/45/12/95/992451295.db2.gz URDOGQWOILSUKW-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CC3(CC3(F)F)C2)o1 ZINC001261671729 992456103 /nfs/dbraw/zinc/45/61/03/992456103.db2.gz XYNBFOQBALTDTP-UHFFFAOYSA-N 1 0 238.237 2.429 20 30 BEEDRO C=CC[C@@H]1N(C(=O)CC[NH2+]C)CCCC1(C)C ZINC001573310808 992472635 /nfs/dbraw/zinc/47/26/35/992472635.db2.gz OWCQHNCZGPPKOJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H](F)CC ZINC001570464236 992472780 /nfs/dbraw/zinc/47/27/80/992472780.db2.gz NQSAVDAECRJWNJ-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)C[C@@H]1CCCN1C(C)=O ZINC001570522137 992478371 /nfs/dbraw/zinc/47/83/71/992478371.db2.gz QEPTYDIHSXNNCA-JSGCOSHPSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC001570636890 992492697 /nfs/dbraw/zinc/49/26/97/992492697.db2.gz OSUIQGFHNQFJPE-NEPJUHHUSA-N 1 0 240.391 2.480 20 30 BEEDRO C=CCCC(=O)N(C)CC(C)(C)C[NH2+]CCC ZINC001570669531 992494031 /nfs/dbraw/zinc/49/40/31/992494031.db2.gz BKNIRGQWZWIYEI-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C1CCCC1 ZINC001570692490 992495056 /nfs/dbraw/zinc/49/50/56/992495056.db2.gz BUNZYVMKOPTOPU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CCC(C(=O)NC/C=C\C[NH2+]CC)CC1 ZINC001321232894 992495718 /nfs/dbraw/zinc/49/57/18/992495718.db2.gz NCZBOPMGVBTHKH-PLNGDYQASA-N 1 0 236.359 2.015 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@@H](OC)C1(CC)CC ZINC001321240047 992501404 /nfs/dbraw/zinc/50/14/04/992501404.db2.gz ACLFYRGIAMRMMY-JHJVBQTASA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC[NH2+][C@@H](CCN(C)C(=O)C(C)C)C(C)C ZINC001570772798 992519997 /nfs/dbraw/zinc/51/99/97/992519997.db2.gz MUIRFAJREQCUBI-ZDUSSCGKSA-N 1 0 240.391 2.291 20 30 BEEDRO CCCCCCC[NH+]1CC([C@@H](C)NC(C)=O)C1 ZINC001570828108 992523662 /nfs/dbraw/zinc/52/36/62/992523662.db2.gz FIVQFIBKSQYNFW-GFCCVEGCSA-N 1 0 240.391 2.413 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C=C(C)C)C1 ZINC001571082987 992532364 /nfs/dbraw/zinc/53/23/64/992532364.db2.gz ZRZRKFZTBDAGBV-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)CCC ZINC001571375291 992543533 /nfs/dbraw/zinc/54/35/33/992543533.db2.gz SIDYVXRGICFCMF-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC001571470195 992564798 /nfs/dbraw/zinc/56/47/98/992564798.db2.gz APPHWFAKCDBSNM-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CC(C)C)[C@H]1C ZINC001571513249 992565588 /nfs/dbraw/zinc/56/55/88/992565588.db2.gz PTGWPFPDPNABSF-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH2+]CCC)C[C@H]1C ZINC001571485478 992568732 /nfs/dbraw/zinc/56/87/32/992568732.db2.gz RPJOSMMBKPUQMN-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC)C1 ZINC001571542946 992570388 /nfs/dbraw/zinc/57/03/88/992570388.db2.gz VLQHFJAXVWNEEH-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(=O)N[C@@H](C[NH2+]CC)C(C)(C)C ZINC001571621132 992577745 /nfs/dbraw/zinc/57/77/45/992577745.db2.gz WXRULFSRQZXLPE-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC001262010435 992594515 /nfs/dbraw/zinc/59/45/15/992594515.db2.gz FIHZTQLWEJLADN-CYBMUJFWSA-N 1 0 241.400 2.407 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(OC)CCC1 ZINC001262010647 992595911 /nfs/dbraw/zinc/59/59/11/992595911.db2.gz LDETXHMUIRPYHP-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](COC)C(C)C ZINC001262274223 992829291 /nfs/dbraw/zinc/82/92/91/992829291.db2.gz SDFVXKFUYBLSSO-ZDUSSCGKSA-N 1 0 229.364 2.039 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)s1 ZINC001262332830 992841324 /nfs/dbraw/zinc/84/13/24/992841324.db2.gz MOMCGIKGZMRAIN-NEPJUHHUSA-N 1 0 236.340 2.229 20 30 BEEDRO C=C[C@H](COC)[NH2+]CCc1ccc(F)c(F)c1 ZINC001262364974 992861260 /nfs/dbraw/zinc/86/12/60/992861260.db2.gz NPMKJPLFKURVMP-LLVKDONJSA-N 1 0 241.281 2.298 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1O)C(C)C ZINC001262376391 992869232 /nfs/dbraw/zinc/86/92/32/992869232.db2.gz ORSACRPVJVTZLJ-UHFFFAOYSA-N 1 0 203.285 2.236 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001262566508 992920773 /nfs/dbraw/zinc/92/07/73/992920773.db2.gz RTAHNVWHIMSGAU-DGCLKSJQSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001574831516 992925163 /nfs/dbraw/zinc/92/51/63/992925163.db2.gz SHGGROIARUZZFU-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]([NH3+])C1CCCCCC1 ZINC001574835241 992925522 /nfs/dbraw/zinc/92/55/22/992925522.db2.gz MZZOZOLRPYWCLV-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC001262568472 992925488 /nfs/dbraw/zinc/92/54/88/992925488.db2.gz WRNHKPUFEZEIDW-RYUDHWBXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CC(C)(C)C ZINC001574851514 992930265 /nfs/dbraw/zinc/93/02/65/992930265.db2.gz GZMWWYKRFDECDP-NXEZZACHSA-N 1 0 246.782 2.397 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001574872114 992933216 /nfs/dbraw/zinc/93/32/16/992933216.db2.gz GULFOUWLQYGPPS-AWEZNQCLSA-N 1 0 240.391 2.326 20 30 BEEDRO C=CC[C@@]1(C(=O)NC[C@@H]2CC=CCC2)CCC[NH2+]1 ZINC001574892882 992938536 /nfs/dbraw/zinc/93/85/36/992938536.db2.gz LAQPDPUUAUPUCY-HIFRSBDPSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[C@@]1(C(=O)NCCC=C(C)C)CCC[NH2+]1 ZINC001574892514 992938790 /nfs/dbraw/zinc/93/87/90/992938790.db2.gz FAXRQVBQZVLFFA-AWEZNQCLSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCCCCN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC001574907434 992940197 /nfs/dbraw/zinc/94/01/97/992940197.db2.gz LXAZRKZTMCDWTQ-KGLIPLIRSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@H]1N(C(=O)C[C@H](C)[NH3+])CCCC1(C)C ZINC001574900337 992941806 /nfs/dbraw/zinc/94/18/06/992941806.db2.gz VGAANCURXAJZRL-NWDGAFQWSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC001574901632 992941998 /nfs/dbraw/zinc/94/19/98/992941998.db2.gz ORAFOSKWRSGYFZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCN(C(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC001574920813 992946774 /nfs/dbraw/zinc/94/67/74/992946774.db2.gz KHRXQWJIQZRBAH-ZDUSSCGKSA-N 1 0 244.338 2.204 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C1CCCC1 ZINC001574908873 992947353 /nfs/dbraw/zinc/94/73/53/992947353.db2.gz ZFXLIFCODWLRIQ-DGCLKSJQSA-N 1 0 238.375 2.365 20 30 BEEDRO CC#CC[C@H]([NH3+])C(=O)N(CC)c1ccccc1C ZINC001574963462 992954105 /nfs/dbraw/zinc/95/41/05/992954105.db2.gz UVRHNCIJXCXBLG-ZDUSSCGKSA-N 1 0 244.338 2.089 20 30 BEEDRO CC(C)[C@@H](C[NH3+])CN(CCC#N)CC(C)(C)C ZINC001575423810 993034396 /nfs/dbraw/zinc/03/43/96/993034396.db2.gz YKYPFOXLJNKYSZ-ZDUSSCGKSA-N 1 0 239.407 2.479 20 30 BEEDRO CC(C)C#CC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001575391751 993035873 /nfs/dbraw/zinc/03/58/73/993035873.db2.gz QSOGHJUDSWXTPI-UONOGXRCSA-N 1 0 242.322 2.099 20 30 BEEDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)s1 ZINC001575509786 993063651 /nfs/dbraw/zinc/06/36/51/993063651.db2.gz BZORFKONNUXAAK-ZDUSSCGKSA-N 1 0 249.383 2.050 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)CC1CCCC1 ZINC001263079163 993103089 /nfs/dbraw/zinc/10/30/89/993103089.db2.gz HTGQUSCBWYBVHD-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC001263108210 993119424 /nfs/dbraw/zinc/11/94/24/993119424.db2.gz RAXJVSFWGGAUSU-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC001263144870 993131724 /nfs/dbraw/zinc/13/17/24/993131724.db2.gz BNYKVFPJENVQBU-NEPJUHHUSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1[NH2+]CCC1(C)C ZINC001263255608 993190401 /nfs/dbraw/zinc/19/04/01/993190401.db2.gz FIYPKTCJBIQPBR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCn1ccnc1C ZINC000379938943 993298635 /nfs/dbraw/zinc/29/86/35/993298635.db2.gz YKBQKNULCNPNNS-LLVKDONJSA-N 1 0 207.321 2.136 20 30 BEEDRO CC1(C)CCCN(CC[C@@H]2CCC[NH2+]C2)[C@@H]1C#N ZINC001576433793 993302280 /nfs/dbraw/zinc/30/22/80/993302280.db2.gz KASMAYCLTYKAPZ-UONOGXRCSA-N 1 0 249.402 2.390 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000381282807 993381732 /nfs/dbraw/zinc/38/17/32/993381732.db2.gz YRODCBCBADNLCZ-FQUUOJAGSA-N 1 0 223.360 2.175 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cncc(F)c1 ZINC000381293104 993382215 /nfs/dbraw/zinc/38/22/15/993382215.db2.gz FDJWFNARNXHCRP-SKDRFNHKSA-N 1 0 224.279 2.072 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000381282806 993382631 /nfs/dbraw/zinc/38/26/31/993382631.db2.gz YRODCBCBADNLCZ-DGAVXFQQSA-N 1 0 223.360 2.175 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000381293101 993386597 /nfs/dbraw/zinc/38/65/97/993386597.db2.gz FDJWFNARNXHCRP-CABZTGNLSA-N 1 0 224.279 2.072 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(=O)OC ZINC000381429406 993395504 /nfs/dbraw/zinc/39/55/04/993395504.db2.gz BCOXWSQBRPMBSJ-QJPTWQEYSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CC1(OC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001263605641 993415244 /nfs/dbraw/zinc/41/52/44/993415244.db2.gz ZRCIWTUSSIQFTL-LLVKDONJSA-N 1 0 223.316 2.121 20 30 BEEDRO C=C[C@@H](C(=O)NCCC[NH+](C)C)c1ccccc1 ZINC001263699877 993467584 /nfs/dbraw/zinc/46/75/84/993467584.db2.gz CCIZJFIBINLQHO-CQSZACIVSA-N 1 0 246.354 2.024 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001263825284 993533490 /nfs/dbraw/zinc/53/34/90/993533490.db2.gz XHQCGACWIOUQSA-MELADBBJSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)CCC)C1 ZINC001263823212 993535497 /nfs/dbraw/zinc/53/54/97/993535497.db2.gz JJVUIHNXDOGZGC-BETUJISGSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000384138670 993547238 /nfs/dbraw/zinc/54/72/38/993547238.db2.gz FEOFCDXACWWEIS-GJZGRUSLSA-N 1 0 231.339 2.286 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)C)C1 ZINC001263890735 993580048 /nfs/dbraw/zinc/58/00/48/993580048.db2.gz BSIKQRJITBELLL-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(OC)c(N)c1 ZINC000384597982 993606447 /nfs/dbraw/zinc/60/64/47/993606447.db2.gz ZFXBKMMNJVCSIR-UHFFFAOYSA-N 1 0 232.327 2.451 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC ZINC001263945907 993616908 /nfs/dbraw/zinc/61/69/08/993616908.db2.gz MBJJSKWMTSOXEF-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](CO)C1CCCCC1 ZINC000386402235 993687526 /nfs/dbraw/zinc/68/75/26/993687526.db2.gz VRALCNJDLMRPQA-CHWSQXEVSA-N 1 0 224.348 2.209 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](CO)C1CCCCC1 ZINC000386402239 993688707 /nfs/dbraw/zinc/68/87/07/993688707.db2.gz VRALCNJDLMRPQA-QWHCGFSZSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000390613049 993800538 /nfs/dbraw/zinc/80/05/38/993800538.db2.gz FRJALCCTOPMHJC-YIYPIFLZSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCC[N@H+](C)CCCNC(=O)C1=CCCC1 ZINC001264975902 993805983 /nfs/dbraw/zinc/80/59/83/993805983.db2.gz JJGGJIDBDOYUAD-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@@H](O)CC)C[C@H](C1)C2 ZINC000700365898 993832205 /nfs/dbraw/zinc/83/22/05/993832205.db2.gz LBKWIGHZKOUJQL-PIGZVRMJSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC ZINC001265401308 993847797 /nfs/dbraw/zinc/84/77/97/993847797.db2.gz QDTCGUOWWVAFHU-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO Cc1ccc(C[NH+]2CC(C)C2)cc1C#N ZINC000700703194 993849254 /nfs/dbraw/zinc/84/92/54/993849254.db2.gz YDLJKXZQWTYUAP-UHFFFAOYSA-N 1 0 200.285 2.318 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)CCCC)C1 ZINC001265528680 993871975 /nfs/dbraw/zinc/87/19/75/993871975.db2.gz BIYVLGRRJKHSOL-BETUJISGSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CCC1CCC1 ZINC001265763763 993934918 /nfs/dbraw/zinc/93/49/18/993934918.db2.gz SPLCTEPWJYKDJI-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H](C)CCC ZINC001265761635 993935165 /nfs/dbraw/zinc/93/51/65/993935165.db2.gz YBXQLZMYCHCKBH-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@@H](C)CC ZINC001265768920 993938319 /nfs/dbraw/zinc/93/83/19/993938319.db2.gz KTLPGAMXQOIKAZ-ONGXEEELSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C=C(CC)CC ZINC001265766486 993938572 /nfs/dbraw/zinc/93/85/72/993938572.db2.gz KGANLJFWRIIRLE-GFCCVEGCSA-N 1 0 238.375 2.403 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCC(C)(C)CO ZINC000393424496 993943599 /nfs/dbraw/zinc/94/35/99/993943599.db2.gz OSUZJHRIIYBGGD-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000393621392 993970974 /nfs/dbraw/zinc/97/09/74/993970974.db2.gz TUIWJLTWFCVRON-SCZZXKLOSA-N 1 0 226.345 2.303 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1)C(C)(C)C ZINC000702311184 993984674 /nfs/dbraw/zinc/98/46/74/993984674.db2.gz NXESNKICEFSVSI-KBPBESRZSA-N 1 0 249.329 2.497 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C(C)(C)C ZINC000702301715 993985526 /nfs/dbraw/zinc/98/55/26/993985526.db2.gz BHEZLEUKNYFEEP-UONOGXRCSA-N 1 0 249.329 2.497 20 30 BEEDRO C#CC[NH2+]C[C@@H](O)CCCCCCCC ZINC000702326135 993987361 /nfs/dbraw/zinc/98/73/61/993987361.db2.gz SEMKQGUWKZOQCR-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]([N@@H+](C)C(C)C)C1 ZINC001266093692 994031363 /nfs/dbraw/zinc/03/13/63/994031363.db2.gz KDEYJLCOHWRJOT-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C#CCCCCC(=O)NCC[C@H](C)[NH2+]C(C)C ZINC001266137600 994046672 /nfs/dbraw/zinc/04/66/72/994046672.db2.gz OXADVGNPKZQJBG-ZDUSSCGKSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C(C)(CC)CC ZINC001266189368 994053533 /nfs/dbraw/zinc/05/35/33/994053533.db2.gz QHGRQZPNXJTLFT-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001266167496 994054319 /nfs/dbraw/zinc/05/43/19/994054319.db2.gz VYYKFMQBKUZYOW-GFCCVEGCSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](NC(=O)[C@@H](C)CC)C1 ZINC001266200292 994055149 /nfs/dbraw/zinc/05/51/49/994055149.db2.gz IYIXEAIFKNHNHI-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(C)=O ZINC001279531244 994070835 /nfs/dbraw/zinc/07/08/35/994070835.db2.gz ZZYDSEXTXDFEKD-ZIAGYGMSSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)C[C@H]1CC[N@H+]1C(C)C ZINC001316602454 994099646 /nfs/dbraw/zinc/09/96/46/994099646.db2.gz UUGAALSYJHPGIR-GFCCVEGCSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCC(=O)NCC1([NH2+]CC=C)CCC1 ZINC001280502209 994122326 /nfs/dbraw/zinc/12/23/26/994122326.db2.gz GKHXGAFIOXNDKL-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CC1CC1 ZINC001280781008 994131210 /nfs/dbraw/zinc/13/12/10/994131210.db2.gz ANEXOCBLWWZZQZ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001281666250 994169029 /nfs/dbraw/zinc/16/90/29/994169029.db2.gz WSTFOAGMNGXRPK-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC(C)C)C1 ZINC001316614228 994180454 /nfs/dbraw/zinc/18/04/54/994180454.db2.gz RTLJGYJFFRSYCE-BETUJISGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)CC ZINC001281919492 994181822 /nfs/dbraw/zinc/18/18/22/994181822.db2.gz OEDFPJOELYGCCC-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)[C@H](C)NC(C)=O ZINC001282083012 994191065 /nfs/dbraw/zinc/19/10/65/994191065.db2.gz JVYHZMGASSJMEN-NEPJUHHUSA-N 1 0 228.380 2.460 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C=C(C)C ZINC001282086421 994202020 /nfs/dbraw/zinc/20/20/20/994202020.db2.gz NQJBHIUJDVOUPR-GHMZBOCLSA-N 1 0 244.766 2.188 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(C)C ZINC001282096799 994202122 /nfs/dbraw/zinc/20/21/22/994202122.db2.gz LKDKICRHKGGSPU-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC1CCC1 ZINC001282113868 994206882 /nfs/dbraw/zinc/20/68/82/994206882.db2.gz RXZODZBCNMXBFX-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(CC)CC1 ZINC001282185925 994209764 /nfs/dbraw/zinc/20/97/64/994209764.db2.gz RERCZARATRNXBW-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCF ZINC001282167918 994210216 /nfs/dbraw/zinc/21/02/16/994210216.db2.gz OGQNFQGHOPEHMX-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)[C@@H](C)[NH2+]CCCF ZINC001282133177 994210243 /nfs/dbraw/zinc/21/02/43/994210243.db2.gz KVKACOXWXHSXCY-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1(CC)CC1 ZINC001282185923 994211508 /nfs/dbraw/zinc/21/15/08/994211508.db2.gz RERCZARATRNXBW-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCC(C)C ZINC001282356496 994226343 /nfs/dbraw/zinc/22/63/43/994226343.db2.gz VXLMGOGNFLIHCZ-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C1CC(C)(C)C1 ZINC001282383874 994230657 /nfs/dbraw/zinc/23/06/57/994230657.db2.gz GFPCGCLHSCHYQW-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)/C=C(\C)CC ZINC001282384280 994231120 /nfs/dbraw/zinc/23/11/20/994231120.db2.gz JCJZBQMIVHQHLT-RPHSKFLZSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001282455574 994237370 /nfs/dbraw/zinc/23/73/70/994237370.db2.gz PMSVTBJOYCUMDG-JSGCOSHPSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)C ZINC001282484809 994238991 /nfs/dbraw/zinc/23/89/91/994238991.db2.gz HKDMXOSGQJJVDZ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[N@H+](C)CC ZINC001282452235 994240960 /nfs/dbraw/zinc/24/09/60/994240960.db2.gz VSIXDCZFLZPWQZ-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001283012931 994259804 /nfs/dbraw/zinc/25/98/04/994259804.db2.gz IFAKJAJVCOWXBO-MGPQQGTHSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001283221952 994267918 /nfs/dbraw/zinc/26/79/18/994267918.db2.gz LTIKLAOICAXRHQ-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)CC ZINC001283570374 994280434 /nfs/dbraw/zinc/28/04/34/994280434.db2.gz DJDQXBUPQVGOQP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)c1ccc[nH]1 ZINC001283572989 994280770 /nfs/dbraw/zinc/28/07/70/994280770.db2.gz QFUWPGOVIQTLFB-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CCCCC ZINC001283572861 994282340 /nfs/dbraw/zinc/28/23/40/994282340.db2.gz OMUBMTIBIOLTRB-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C1CC(C)(C(=O)N(C)C[C@H](C)[NH2+]CCC)C1 ZINC001283661999 994289809 /nfs/dbraw/zinc/28/98/09/994289809.db2.gz BJWKOTLUAGYQKM-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H](C)CC ZINC001283693191 994293751 /nfs/dbraw/zinc/29/37/51/994293751.db2.gz WSBLNHWFNVMGCP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@@H](C[NH2+]C(C)C)C1 ZINC001284158396 994322263 /nfs/dbraw/zinc/32/22/63/994322263.db2.gz NLHJXSLCYMQCHT-OLZOCXBDSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCC(=O)N(C)C1CC([NH2+]C(C)C)C1 ZINC001284771455 994360242 /nfs/dbraw/zinc/36/02/42/994360242.db2.gz RNLTVOOMMOVGIF-UHFFFAOYSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[N@H+]1CC=C(CNC(=O)/C=C(/C)CC)CC1 ZINC001284910238 994360508 /nfs/dbraw/zinc/36/05/08/994360508.db2.gz RNJPUIIZEOBMNV-QBFSEMIESA-N 1 0 248.370 2.277 20 30 BEEDRO CC[NH+](CC)C1CCN([C@H](C)CCC#N)CC1 ZINC000829179358 994571797 /nfs/dbraw/zinc/57/17/97/994571797.db2.gz LVLSUWQKNGDWGU-CYBMUJFWSA-N 1 0 237.391 2.485 20 30 BEEDRO CC[NH+]1CCC(Nc2cc(C)cc(C#N)n2)CC1 ZINC001334124143 994573575 /nfs/dbraw/zinc/57/35/75/994573575.db2.gz RDXFQRLZSCWZOB-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001293503095 994656194 /nfs/dbraw/zinc/65/61/94/994656194.db2.gz VWRNMNJPPNCEOK-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC001335266529 994707511 /nfs/dbraw/zinc/70/75/11/994707511.db2.gz XVMBYNFZZCTRQJ-AGIUHOORSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](CC)CCC ZINC001491624857 994991926 /nfs/dbraw/zinc/99/19/26/994991926.db2.gz OTDHWNFNWGGUNI-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H]([N@H+](C)CC=C)C1 ZINC001491909952 995008045 /nfs/dbraw/zinc/00/80/45/995008045.db2.gz ILGCWGVMMOFTIX-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)c1cccc(C)c1 ZINC001491977743 995014491 /nfs/dbraw/zinc/01/44/91/995014491.db2.gz WMIMDVWDOAHIAS-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)/C=C(/C)CC ZINC001492021196 995016405 /nfs/dbraw/zinc/01/64/05/995016405.db2.gz SKOVYYQYFLRBLB-KIWPFMIBSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001491992381 995017686 /nfs/dbraw/zinc/01/76/86/995017686.db2.gz SHKAXZCUIDMBRH-BWNDKRECSA-N 1 0 244.766 2.190 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@H](C)CC ZINC001492012885 995018228 /nfs/dbraw/zinc/01/82/28/995018228.db2.gz FGPIOJFIHSZCRU-OLZOCXBDSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)/C(C)=C\C ZINC001492004923 995018291 /nfs/dbraw/zinc/01/82/91/995018291.db2.gz IIAAURQSLJDERE-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO C[C@H](CC(F)(F)F)[NH2+]C[C@@H](C#N)CCC#N ZINC001336785327 995107588 /nfs/dbraw/zinc/10/75/88/995107588.db2.gz YHAZCURCEQVAEL-RKDXNWHRSA-N 1 0 233.237 2.360 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C1CC(C)C1 ZINC001317243459 995108184 /nfs/dbraw/zinc/10/81/84/995108184.db2.gz YTZJWUGDIWNDCH-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)CCc1nccs1 ZINC001307589547 995409187 /nfs/dbraw/zinc/40/91/87/995409187.db2.gz WCOBROWSLSEZIO-NSHDSACASA-N 1 0 222.357 2.419 20 30 BEEDRO C#CC[N@@H+](C)CC1([C@@H]2CCCCO2)CCC1 ZINC001307740077 995450904 /nfs/dbraw/zinc/45/09/04/995450904.db2.gz CTXLDJLFZZPPOO-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1C ZINC001307780948 995458632 /nfs/dbraw/zinc/45/86/32/995458632.db2.gz IREHFISBQUNWPL-UMSGYPCISA-N 1 0 222.332 2.035 20 30 BEEDRO CCCCCCCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC001307834303 995478747 /nfs/dbraw/zinc/47/87/47/995478747.db2.gz FARSNWZZUOLFFJ-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO C[C@@H](CCC#N)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001308077073 995546469 /nfs/dbraw/zinc/54/64/69/995546469.db2.gz HUHFPPVJADUMEF-MNOVXSKESA-N 1 0 232.331 2.096 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1CCCC(=O)N(C)C ZINC001308138368 995566051 /nfs/dbraw/zinc/56/60/51/995566051.db2.gz XOQMDOUFRUYLNK-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CCCC[C@H]1O ZINC001308143869 995568632 /nfs/dbraw/zinc/56/86/32/995568632.db2.gz WQUZBTIYYVYSEM-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)CC1(C)CC1 ZINC001492992061 1170047771 /nfs/dbraw/zinc/04/77/71/1170047771.db2.gz HTVPQJRPDTVEGD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)CC)C1 ZINC001479961172 1170048287 /nfs/dbraw/zinc/04/82/87/1170048287.db2.gz CEEAHWLJLVTONJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C[C@@H]2C=CCC2)CCC1 ZINC001501913037 1170053074 /nfs/dbraw/zinc/05/30/74/1170053074.db2.gz RINWWVQYXDLWKD-CYBMUJFWSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC001520987313 1170064457 /nfs/dbraw/zinc/06/44/57/1170064457.db2.gz UINKVEKGAUINBT-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[N@@H+](C)CCCC ZINC001520986807 1170064491 /nfs/dbraw/zinc/06/44/91/1170064491.db2.gz MIQYTHPUQCNRMP-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)CC1CC1 ZINC001567298104 1170091993 /nfs/dbraw/zinc/09/19/93/1170091993.db2.gz IZWPANUVLHYLPC-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)CC)CCCC1 ZINC001568229957 1170097231 /nfs/dbraw/zinc/09/72/31/1170097231.db2.gz QVRVBZYQZBZFLV-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)C(F)F ZINC001567947382 1170097271 /nfs/dbraw/zinc/09/72/71/1170097271.db2.gz LBUWPGKFDWVYHP-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)=C1CCC1 ZINC001569116605 1170104122 /nfs/dbraw/zinc/10/41/22/1170104122.db2.gz YZPBFLIGAOUITL-NSHDSACASA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)C1CC1 ZINC001571209411 1170109071 /nfs/dbraw/zinc/10/90/71/1170109071.db2.gz VEQLICDZPNAIEM-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CN1CCC([N@H+](C)Cc2ccc(C#N)cc2)CC1 ZINC000019427356 1170125337 /nfs/dbraw/zinc/12/53/37/1170125337.db2.gz ACAITHJWNHNIRX-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)c1cc(F)ccc1C#N ZINC001612268862 1170454131 /nfs/dbraw/zinc/45/41/31/1170454131.db2.gz LHSALIXEGSWNPC-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1[C@@H](Nc2cc(F)ccc2C#N)CC[N@@H+]1C ZINC001612939656 1170465701 /nfs/dbraw/zinc/46/57/01/1170465701.db2.gz OFHCUIWJTJCTOO-SKDRFNHKSA-N 1 0 233.290 2.202 20 30 BEEDRO N#Cc1ccc(F)cc1N[C@H]1C[NH+]2CCC1CC2 ZINC001613060135 1170471395 /nfs/dbraw/zinc/47/13/95/1170471395.db2.gz HQEOALVKOTZULV-AWEZNQCLSA-N 1 0 245.301 2.203 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@@H]([NH+](CC)CC)C1 ZINC001615728610 1170532982 /nfs/dbraw/zinc/53/29/82/1170532982.db2.gz PLCKUNOPIOABIY-ZIAGYGMSSA-N 1 0 222.376 2.204 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC001616562991 1170559443 /nfs/dbraw/zinc/55/94/43/1170559443.db2.gz YKEPOSGHYGCKBP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)[C@@H](C)[C@H](C)O ZINC001616683409 1170564430 /nfs/dbraw/zinc/56/44/30/1170564430.db2.gz HWPYXJSZKURMCT-RYUDHWBXSA-N 1 0 223.316 2.079 20 30 BEEDRO CC[C@@H]1CC[N@H+](CCOCCC#N)[C@H]1C ZINC001617360660 1170589880 /nfs/dbraw/zinc/58/98/80/1170589880.db2.gz OIMRGRJVNDAYSC-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CC[N@@H+](CCC=C(C)C)C1CSC1 ZINC001620321088 1170662535 /nfs/dbraw/zinc/66/25/35/1170662535.db2.gz RKXIHXNVEMXITR-UHFFFAOYSA-N 1 0 209.358 2.393 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001620437840 1170668681 /nfs/dbraw/zinc/66/86/81/1170668681.db2.gz RMTPMRKYFJNNES-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO N#CCCCC[NH+]1CCC(c2ncccn2)CC1 ZINC001620595953 1170686816 /nfs/dbraw/zinc/68/68/16/1170686816.db2.gz UGIPPVQLZINDGY-UHFFFAOYSA-N 1 0 244.342 2.350 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001620647366 1170695995 /nfs/dbraw/zinc/69/59/95/1170695995.db2.gz NXIMQQIKRQCGAG-GRYCIOLGSA-N 1 0 224.373 2.364 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](CO)C(C)C ZINC001620687958 1170704085 /nfs/dbraw/zinc/70/40/85/1170704085.db2.gz QSYQSQJJXLWCJJ-HNNXBMFYSA-N 1 0 246.354 2.282 20 30 BEEDRO CC(C)c1[nH+]c(CNCCC#N)c2ccccn21 ZINC001621101238 1170717022 /nfs/dbraw/zinc/71/70/22/1170717022.db2.gz NXHRNXXTTYAJOD-UHFFFAOYSA-N 1 0 242.326 2.461 20 30 BEEDRO CC#CCC[NH2+]Cc1ccnn1C1CCC1 ZINC001621215963 1170743753 /nfs/dbraw/zinc/74/37/53/1170743753.db2.gz DPGQVUKECBGIGD-UHFFFAOYSA-N 1 0 217.316 2.111 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](C)OC)c1ccc(F)cc1 ZINC001621355095 1170764230 /nfs/dbraw/zinc/76/42/30/1170764230.db2.gz MXRMYZUNHMZQTB-ZWNOBZJWSA-N 1 0 221.275 2.125 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12 ZINC001621303728 1170764397 /nfs/dbraw/zinc/76/43/97/1170764397.db2.gz JPPSWDDQVXJAOR-QNWHQSFQSA-N 1 0 237.343 2.130 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)OC)c1ccc(F)cc1 ZINC001621355094 1170778248 /nfs/dbraw/zinc/77/82/48/1170778248.db2.gz MXRMYZUNHMZQTB-MFKMUULPSA-N 1 0 221.275 2.125 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(C)c(OC)n1 ZINC001621391729 1170794226 /nfs/dbraw/zinc/79/42/26/1170794226.db2.gz DUXFXLMNCKSBFM-UHFFFAOYSA-N 1 0 220.316 2.454 20 30 BEEDRO N#CC1(C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)CCCCC1 ZINC001621442875 1170811260 /nfs/dbraw/zinc/81/12/60/1170811260.db2.gz UBHROROBPYPVII-AGIUHOORSA-N 1 0 234.343 2.085 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccn1C(F)F ZINC001621464231 1170821124 /nfs/dbraw/zinc/82/11/24/1170821124.db2.gz YAPCCXYVJVCBAV-SNVBAGLBSA-N 1 0 242.269 2.011 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCCN1C ZINC001621552774 1170848711 /nfs/dbraw/zinc/84/87/11/1170848711.db2.gz TZJDVWSQDZJWFB-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000037185006 1170932153 /nfs/dbraw/zinc/93/21/53/1170932153.db2.gz VZWBKWWWMRJJAY-NSHDSACASA-N 1 0 205.301 2.402 20 30 BEEDRO C#CC[NH+]1CCC(Nc2ccccc2)CC1 ZINC000037186121 1170933818 /nfs/dbraw/zinc/93/38/18/1170933818.db2.gz IUKZVRQMNDTRLB-UHFFFAOYSA-N 1 0 214.312 2.196 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1ccco1 ZINC000038092592 1171020684 /nfs/dbraw/zinc/02/06/84/1171020684.db2.gz GXQUFEPHUWUXMW-GHMZBOCLSA-N 1 0 206.289 2.492 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CNc1ccc(C#N)cc1 ZINC000044563168 1171397630 /nfs/dbraw/zinc/39/76/30/1171397630.db2.gz BWQSFWPWAOWFAV-AWEZNQCLSA-N 1 0 229.327 2.454 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC001632542710 1171517745 /nfs/dbraw/zinc/51/77/45/1171517745.db2.gz XCKSPPIYQJOKMD-GMXVVIOVSA-N 1 0 238.375 2.045 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@H](C)CC[NH+](C)C)cc1 ZINC001637034959 1171895074 /nfs/dbraw/zinc/89/50/74/1171895074.db2.gz PCWQYROEBONSBT-GFCCVEGCSA-N 1 0 244.338 2.194 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001637123877 1171903734 /nfs/dbraw/zinc/90/37/34/1171903734.db2.gz XWQFNQRPMYUCSA-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H](CC#N)N1CC[NH+](C2CCCC2)CC1 ZINC000052061651 1171938680 /nfs/dbraw/zinc/93/86/80/1171938680.db2.gz GGLJMCKEQAOJAU-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000186714962 136207704 /nfs/dbraw/zinc/20/77/04/136207704.db2.gz HKZVYVSEVSUOBY-CABCVRRESA-N 1 0 231.339 2.071 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000186716841 136207736 /nfs/dbraw/zinc/20/77/36/136207736.db2.gz HNZFYXAHMBBKCE-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(CC)C1 ZINC000075998798 136208269 /nfs/dbraw/zinc/20/82/69/136208269.db2.gz IEFBNCIQIKUHRA-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000572368502 398136074 /nfs/dbraw/zinc/13/60/74/398136074.db2.gz CEVWVUSGASBKGF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2ccccc21 ZINC000186688830 136207495 /nfs/dbraw/zinc/20/74/95/136207495.db2.gz BQVRYCALLJIENX-JSGCOSHPSA-N 1 0 217.312 2.201 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1(COC)CCOCC1 ZINC000560565737 322989556 /nfs/dbraw/zinc/98/95/56/322989556.db2.gz ZVTXCOIBKSDETB-STQMWFEESA-N 1 0 241.375 2.372 20 30 BEEDRO COc1ccc(C[N@H+](C)CCCC#N)cc1O ZINC000080963207 136211188 /nfs/dbraw/zinc/21/11/88/136211188.db2.gz REIVGSVXHOPFFI-UHFFFAOYSA-N 1 0 234.299 2.136 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000310009262 136212424 /nfs/dbraw/zinc/21/24/24/136212424.db2.gz HZBSLVAYBODOMY-KGYLQXTDSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]1C[N@@H+](CCC(C)(C)C#N)C[C@H](C)O1 ZINC000087595016 136211911 /nfs/dbraw/zinc/21/19/11/136211911.db2.gz HSKXNQMPRBVEEI-PHIMTYICSA-N 1 0 210.321 2.035 20 30 BEEDRO CCC(CC)(C[NH2+]Cc1ccc(C#N)o1)OC ZINC000291646700 168325640 /nfs/dbraw/zinc/32/56/40/168325640.db2.gz CEOOKHQRLGDWBI-UHFFFAOYSA-N 1 0 236.315 2.446 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000122965562 398145686 /nfs/dbraw/zinc/14/56/86/398145686.db2.gz WSQAZBMDFMIRMU-DTWKUNHWSA-N 1 0 205.305 2.319 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000125734542 136213120 /nfs/dbraw/zinc/21/31/20/136213120.db2.gz MOTWFXZOGZXXFN-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCc1cccs1 ZINC000649328168 398145950 /nfs/dbraw/zinc/14/59/50/398145950.db2.gz AJUCFEUKRFCMCH-LBPRGKRZSA-N 1 0 225.357 2.159 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC(C)(C)CC1 ZINC000649322537 398144149 /nfs/dbraw/zinc/14/41/49/398144149.db2.gz HVJKBUHOIOHCCA-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO Cc1cc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)ccc1C#N ZINC000336428707 178005710 /nfs/dbraw/zinc/00/57/10/178005710.db2.gz DOZAQBDEOIHMIH-CQSZACIVSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CCOc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000422906923 398156825 /nfs/dbraw/zinc/15/68/25/398156825.db2.gz KNVYNTSMQXYTAQ-ZIAGYGMSSA-N 1 0 246.354 2.221 20 30 BEEDRO C[C@@H](CC#N)N(C)Cc1cnc2ccccn12 ZINC000161821993 349509540 /nfs/dbraw/zinc/50/95/40/349509540.db2.gz GWYXQVLUECUJAU-NSHDSACASA-N 1 0 228.299 2.068 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C)cn1 ZINC000649900571 398170830 /nfs/dbraw/zinc/17/08/30/398170830.db2.gz KFUPPMLJXNGRPF-CQSZACIVSA-N 1 0 234.343 2.149 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)ccc1C#N ZINC000337216011 178031009 /nfs/dbraw/zinc/03/10/09/178031009.db2.gz HMBVELMQUXTJCY-WFASDCNBSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCOc1ccccc1CN(C)CCC[NH3+] ZINC000571087653 398178592 /nfs/dbraw/zinc/17/85/92/398178592.db2.gz DQNOFOBXTQRGLW-UHFFFAOYSA-N 1 0 234.343 2.032 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000424290085 398179693 /nfs/dbraw/zinc/17/96/93/398179693.db2.gz BCFLODGPCASMRX-OFTGVCEQSA-N 1 0 209.333 2.212 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000424292095 398180861 /nfs/dbraw/zinc/18/08/61/398180861.db2.gz GCRSFYTXMUBBIK-UBHSHLNASA-N 1 0 249.358 2.052 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000649968961 398199379 /nfs/dbraw/zinc/19/93/79/398199379.db2.gz VHANSZRJRBBKIQ-SDDRHHMPSA-N 1 0 209.333 2.191 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+]CCCCC#N ZINC000187950289 398191416 /nfs/dbraw/zinc/19/14/16/398191416.db2.gz VNBLHILOGQSJFI-JTQLQIEISA-N 1 0 218.304 2.130 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cnc(C(C)C)s1 ZINC000309323660 136217862 /nfs/dbraw/zinc/21/78/62/136217862.db2.gz FUUBTZXMCUNLSP-SNVBAGLBSA-N 1 0 240.372 2.293 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H]1CCCC12CCOCC2 ZINC000309367962 136217911 /nfs/dbraw/zinc/21/79/11/136217911.db2.gz BNOIVRBJCXPXJK-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000336695215 398196098 /nfs/dbraw/zinc/19/60/98/398196098.db2.gz YUBZTQYJJLLAEC-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000649958238 398197161 /nfs/dbraw/zinc/19/71/61/398197161.db2.gz QGKBQGPAOQXGNL-LOWDOPEQSA-N 1 0 221.344 2.191 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000649958241 398197339 /nfs/dbraw/zinc/19/73/39/398197339.db2.gz QGKBQGPAOQXGNL-WUHRBBMRSA-N 1 0 221.344 2.191 20 30 BEEDRO CC#CCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000336732196 136218154 /nfs/dbraw/zinc/21/81/54/136218154.db2.gz LJVSDCLSRRMXFG-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000649397297 398198941 /nfs/dbraw/zinc/19/89/41/398198941.db2.gz YDVKNHALYZVQTC-SNVBAGLBSA-N 1 0 235.249 2.118 20 30 BEEDRO CCOCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000382801434 398202625 /nfs/dbraw/zinc/20/26/25/398202625.db2.gz SHGOXVNHIMSDHW-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000453582041 398203274 /nfs/dbraw/zinc/20/32/74/398203274.db2.gz NALAIYALJTYAEW-NSHDSACASA-N 1 0 248.326 2.446 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccccc1F ZINC000186714622 349517436 /nfs/dbraw/zinc/51/74/36/349517436.db2.gz QBSIXEYSEVJTFZ-GHMZBOCLSA-N 1 0 223.291 2.413 20 30 BEEDRO CC(C)CSCCC[NH2+]CCC#N ZINC000576271756 365544936 /nfs/dbraw/zinc/54/49/36/365544936.db2.gz JKJHBOHGHBUOGB-UHFFFAOYSA-N 1 0 200.351 2.269 20 30 BEEDRO C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2C#N)C1 ZINC000335543158 398206125 /nfs/dbraw/zinc/20/61/25/398206125.db2.gz HYIKYMXYHRFZKI-OLZOCXBDSA-N 1 0 244.338 2.009 20 30 BEEDRO C=C(C)C[NH2+]C1(CC(=O)OCC)CCCC1 ZINC000336779596 136221568 /nfs/dbraw/zinc/22/15/68/136221568.db2.gz OTZFZMWEIORZDL-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CC(C)C ZINC000340678733 136222378 /nfs/dbraw/zinc/22/23/78/136222378.db2.gz XVSKHRMBCXDTNG-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](CC3(CC#N)CC3)C[C@@H]21 ZINC000380387459 343987048 /nfs/dbraw/zinc/98/70/48/343987048.db2.gz TYBSDKQJVZYIJO-PHIMTYICSA-N 1 0 204.317 2.268 20 30 BEEDRO Cc1cc(OCC2CC[NH2+]CC2)ccc1C#N ZINC000133069633 178209808 /nfs/dbraw/zinc/20/98/08/178209808.db2.gz GEHPMWACAWXKDB-UHFFFAOYSA-N 1 0 230.311 2.245 20 30 BEEDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000430759689 398231048 /nfs/dbraw/zinc/23/10/48/398231048.db2.gz HGUSCGFPXLQGST-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CCCCC[N@H+](CCO)C[C@@H](C)CCC#N ZINC000602438980 349525085 /nfs/dbraw/zinc/52/50/85/349525085.db2.gz UAEWUJSONRKQBU-ZDUSSCGKSA-N 1 0 226.364 2.411 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCC1CCCC1 ZINC000336773714 398233758 /nfs/dbraw/zinc/23/37/58/398233758.db2.gz ZAYOHLWYVIASLG-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1CC[NH2+]CC1 ZINC000160924090 136226417 /nfs/dbraw/zinc/22/64/17/136226417.db2.gz ANXFYZSXZXXELS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]1CN(c2cccc(F)c2C#N)C[C@H](C)[NH+]1C ZINC000135267547 398236914 /nfs/dbraw/zinc/23/69/14/398236914.db2.gz RERSTVQFUQRORR-QWRGUYRKSA-N 1 0 247.317 2.226 20 30 BEEDRO C=C(C)CC[N@H+](CC(=O)OC)[C@H](C)CC ZINC000281239459 136227621 /nfs/dbraw/zinc/22/76/21/136227621.db2.gz GBQWLJUDSVJZHA-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C[C@@H](CO)[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000282824916 136228374 /nfs/dbraw/zinc/22/83/74/136228374.db2.gz QFEDVNDKDYDUAJ-NSHDSACASA-N 1 0 237.730 2.004 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ncccc1CC ZINC000356845896 259308087 /nfs/dbraw/zinc/30/80/87/259308087.db2.gz IPOBBEINNKQXNA-STQMWFEESA-N 1 0 248.370 2.479 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CC(=O)OCC ZINC000343643663 365613906 /nfs/dbraw/zinc/61/39/06/365613906.db2.gz BBYDIJDHPSSQHQ-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCOC1 ZINC000337223580 398240717 /nfs/dbraw/zinc/24/07/17/398240717.db2.gz ODQNADQRIDBKLG-ZWNOBZJWSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000336779754 398248770 /nfs/dbraw/zinc/24/87/70/398248770.db2.gz PMMGMNSQAFONMW-DGAVXFQQSA-N 1 0 223.360 2.339 20 30 BEEDRO N#Cc1ccccc1C[NH2+]C1(CO)CCCCC1 ZINC000053097446 398249090 /nfs/dbraw/zinc/24/90/90/398249090.db2.gz HCSZWDPSEANCRU-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H](NCc1cc[nH]n1)CC2 ZINC000335871796 398246688 /nfs/dbraw/zinc/24/66/88/398246688.db2.gz VZADRUOVPURRDQ-CQSZACIVSA-N 1 0 238.294 2.058 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000285189645 136228723 /nfs/dbraw/zinc/22/87/23/136228723.db2.gz NPTXNRUJGXKTSY-FZMZJTMJSA-N 1 0 247.338 2.296 20 30 BEEDRO C=CCOCC[N@@H+](C)CCc1ccccc1 ZINC000293352527 136229569 /nfs/dbraw/zinc/22/95/69/136229569.db2.gz DROHJCGFEFZQHM-UHFFFAOYSA-N 1 0 219.328 2.364 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000602466072 349538928 /nfs/dbraw/zinc/53/89/28/349538928.db2.gz WCGJZPRAZUZAED-OCCSQVGLSA-N 1 0 235.375 2.095 20 30 BEEDRO C[NH+](C)C1(CNc2cnccc2C#N)CCCC1 ZINC000126545204 343996518 /nfs/dbraw/zinc/99/65/18/343996518.db2.gz HCSVSGDLJYYMPW-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CSCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000097221871 398258998 /nfs/dbraw/zinc/25/89/98/398258998.db2.gz LMPLRZPYWWRXQN-UHFFFAOYSA-N 1 0 220.341 2.353 20 30 BEEDRO CCC[C@H](C[N@H+](CC)C[C@H](C)C#N)OC ZINC000602447002 349547090 /nfs/dbraw/zinc/54/70/90/349547090.db2.gz KBWQMTSITDCFFQ-VXGBXAGGSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@](C)(CC)OC ZINC000602447736 349548666 /nfs/dbraw/zinc/54/86/66/349548666.db2.gz OZVYGAODKNPINZ-NEPJUHHUSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000602449088 349549822 /nfs/dbraw/zinc/54/98/22/349549822.db2.gz CBDAAOSZMBFOPR-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@@H]1CCCCO1 ZINC000602449669 349551131 /nfs/dbraw/zinc/55/11/31/349551131.db2.gz QJDVEKOIWMRMQK-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CCC[N@@H+](CC(=O)OCC)C[C@H](C)CCC#N ZINC000602451304 349552131 /nfs/dbraw/zinc/55/21/31/349552131.db2.gz XLXAVZQKFZQBBG-GFCCVEGCSA-N 1 0 240.347 2.201 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)C[C@H](C)O1 ZINC000602451663 349552675 /nfs/dbraw/zinc/55/26/75/349552675.db2.gz AZMIRHYAFHNUHH-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000602456227 349553244 /nfs/dbraw/zinc/55/32/44/349553244.db2.gz VSJCPVYYHUKHRJ-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000602458931 349554631 /nfs/dbraw/zinc/55/46/31/349554631.db2.gz QYVNNSDWRPELSZ-ZIAGYGMSSA-N 1 0 246.358 2.460 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](N2CCCCC2)C1 ZINC000602462275 349556890 /nfs/dbraw/zinc/55/68/90/349556890.db2.gz LLTLQZYZMAKZND-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](CCO)C1 ZINC000602464180 349557190 /nfs/dbraw/zinc/55/71/90/349557190.db2.gz KUYJCSFUJMWLKK-QWHCGFSZSA-N 1 0 224.348 2.021 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@H](C)[N@H+](C)C2CC2)n1 ZINC000218035646 178364747 /nfs/dbraw/zinc/36/47/47/178364747.db2.gz SAHAJEMAICMZDW-NSHDSACASA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H](C)C[N@H+](C)C(C)C)n1 ZINC000357562206 178365473 /nfs/dbraw/zinc/36/54/73/178365473.db2.gz YUDYSTZNJQYYHI-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO Cc1ccc(C#N)c(OC2CC[NH+](C)CC2)c1 ZINC000051598507 178365659 /nfs/dbraw/zinc/36/56/59/178365659.db2.gz MOBZXIFDQCBWAU-UHFFFAOYSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H](C)CC[NH+](C)C)n1 ZINC000043395791 178366190 /nfs/dbraw/zinc/36/61/90/178366190.db2.gz LPCWRIIGSCCHPQ-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO CC(C)[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602444525 349545037 /nfs/dbraw/zinc/54/50/37/349545037.db2.gz OTDMUTUWJALBQO-UHFFFAOYSA-N 1 0 215.300 2.326 20 30 BEEDRO CCc1cc(C[NH2+]C[C@H](C)CCC#N)on1 ZINC000602502429 349562433 /nfs/dbraw/zinc/56/24/33/349562433.db2.gz WRZCLFZSOYUXOA-SNVBAGLBSA-N 1 0 221.304 2.266 20 30 BEEDRO CO[C@](C)(C[N@H+](C[C@H](C)C#N)C1CC1)C1CC1 ZINC000602486065 349567871 /nfs/dbraw/zinc/56/78/71/349567871.db2.gz RZQHUQCNRAENJS-BXUZGUMPSA-N 1 0 236.359 2.426 20 30 BEEDRO CO[C@@](C)(C[N@H+](C[C@@H](C)C#N)C1CC1)C1CC1 ZINC000602486066 349568214 /nfs/dbraw/zinc/56/82/14/349568214.db2.gz RZQHUQCNRAENJS-FZMZJTMJSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000602485890 349568409 /nfs/dbraw/zinc/56/84/09/349568409.db2.gz RPTSXAATYLOKPM-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000602485887 349568419 /nfs/dbraw/zinc/56/84/19/349568419.db2.gz RPTSXAATYLOKPM-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)Cc1ccc[nH]1 ZINC000602486987 349569581 /nfs/dbraw/zinc/56/95/81/349569581.db2.gz XUVKQRJKXFBBHA-LLVKDONJSA-N 1 0 205.305 2.386 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000378757250 346825618 /nfs/dbraw/zinc/82/56/18/346825618.db2.gz SYULZOPJWOQEDJ-MGAJPHDKSA-N 1 0 204.317 2.314 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1ccoc1 ZINC000602524867 349576912 /nfs/dbraw/zinc/57/69/12/349576912.db2.gz GLFRXASKXMPMNW-GFCCVEGCSA-N 1 0 248.326 2.468 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000649469889 398269607 /nfs/dbraw/zinc/26/96/07/398269607.db2.gz WRDGMAIHEWUGMF-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC1(C)C ZINC000602526577 349577319 /nfs/dbraw/zinc/57/73/19/349577319.db2.gz LHTURQIIFFEFDE-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(O)CCCCC1 ZINC000602525246 349577643 /nfs/dbraw/zinc/57/76/43/349577643.db2.gz ITONONHRGVLTCK-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO N#CC1CCC([NH2+]CCc2nccs2)CC1 ZINC000602530150 349579499 /nfs/dbraw/zinc/57/94/99/349579499.db2.gz DWTFBUKNMVYIKY-UHFFFAOYSA-N 1 0 235.356 2.358 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC1CCC1 ZINC000602531711 349580003 /nfs/dbraw/zinc/58/00/03/349580003.db2.gz ZPWIFWYAHVOVRW-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccc(O)cc1 ZINC000602531588 349580211 /nfs/dbraw/zinc/58/02/11/349580211.db2.gz XTOYXTNEUKVDOZ-GFCCVEGCSA-N 1 0 232.327 2.464 20 30 BEEDRO CC(C)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602505199 349581939 /nfs/dbraw/zinc/58/19/39/349581939.db2.gz UHSNZZONANNPES-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccco1 ZINC000602504447 349582150 /nfs/dbraw/zinc/58/21/50/349582150.db2.gz QCWLCZRQXOVSOZ-LLVKDONJSA-N 1 0 206.289 2.352 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(N(C)C)nc1 ZINC000602507956 349583412 /nfs/dbraw/zinc/58/34/12/349583412.db2.gz JWIFCGXPPZZKKJ-GFCCVEGCSA-N 1 0 246.358 2.177 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602546865 349590192 /nfs/dbraw/zinc/59/01/92/349590192.db2.gz GPXPKBTZPXMAAJ-WXRRBKDZSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCc2c1cnn2C ZINC000602510673 349585147 /nfs/dbraw/zinc/58/51/47/349585147.db2.gz LLMCAPDKLFZXHR-WCQYABFASA-N 1 0 246.358 2.327 20 30 BEEDRO COCCCC[NH2+]C1CCC(C#N)CC1 ZINC000602512536 349585900 /nfs/dbraw/zinc/58/59/00/349585900.db2.gz BYOCJFIJJFPNKH-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC[C@@H](C)C1 ZINC000602514578 349586870 /nfs/dbraw/zinc/58/68/70/349586870.db2.gz LCCNYGGNDXNJQV-UONOGXRCSA-N 1 0 237.391 2.248 20 30 BEEDRO CCOC1CC(C[NH2+]CCCCC#N)C1 ZINC000602542559 349587085 /nfs/dbraw/zinc/58/70/85/349587085.db2.gz ZWZDKHXOKMMDBF-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](C[NH2+]C1CCC(C#N)CC1)N(C)C1CC1 ZINC000602544430 349588563 /nfs/dbraw/zinc/58/85/63/349588563.db2.gz RNGLSTMXZKUAGV-PNESKVBLSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](c1nccn1C)C1CC1 ZINC000183329131 346840990 /nfs/dbraw/zinc/84/09/90/346840990.db2.gz DBGHAODGBOOZDZ-PWSUYJOCSA-N 1 0 219.332 2.425 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]C1CCC(C#N)CC1 ZINC000602560168 349599776 /nfs/dbraw/zinc/59/97/76/349599776.db2.gz WTTSWRUQNFVEIO-RJZJGCCBSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCC(F)(F)F ZINC000602560039 349599931 /nfs/dbraw/zinc/59/99/31/349599931.db2.gz HQSCTFMRSLACCV-QMMMGPOBSA-N 1 0 208.227 2.468 20 30 BEEDRO CCC(CC)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602548365 349590942 /nfs/dbraw/zinc/59/09/42/349590942.db2.gz XFYKIVWCSLDFES-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602549098 349591078 /nfs/dbraw/zinc/59/10/78/349591078.db2.gz BSASHVZRGZDBCS-SNVBAGLBSA-N 1 0 236.315 2.164 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602549095 349591198 /nfs/dbraw/zinc/59/11/98/349591198.db2.gz BSASHVZRGZDBCS-JTQLQIEISA-N 1 0 236.315 2.164 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2C#N)[C@H]1CO ZINC000335290520 344000118 /nfs/dbraw/zinc/00/01/18/344000118.db2.gz RUCRVDWABNGGBG-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO CSCCC[NH2+]C[C@@H](C)CCC#N ZINC000602551862 349593611 /nfs/dbraw/zinc/59/36/11/349593611.db2.gz KMHKDIVPTJLOEU-JTQLQIEISA-N 1 0 200.351 2.269 20 30 BEEDRO CC[C@H](O)CCC[NH2+]C[C@H](C)CCC#N ZINC000602552018 349593641 /nfs/dbraw/zinc/59/36/41/349593641.db2.gz RLRRQBYDOUODQW-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnc2ccccc2n1 ZINC000600133151 342687219 /nfs/dbraw/zinc/68/72/19/342687219.db2.gz SPXBZTKPKZFAGZ-UHFFFAOYSA-N 1 0 240.310 2.413 20 30 BEEDRO C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CCCO1 ZINC000602577398 349606697 /nfs/dbraw/zinc/60/66/97/349606697.db2.gz SPJYXSYEWHVHKL-BPCQOVAHSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC(CC)(CO)C[NH2+]C[C@H](C)CCC#N ZINC000602577121 349606830 /nfs/dbraw/zinc/60/68/30/349606830.db2.gz SODJKMJHGRARDJ-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H](C)CCC#N ZINC000602579783 349607819 /nfs/dbraw/zinc/60/78/19/349607819.db2.gz HARAWZQZIRTZFY-LBPRGKRZSA-N 1 0 210.321 2.109 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCOCC1 ZINC000602582063 349610073 /nfs/dbraw/zinc/61/00/73/349610073.db2.gz NIFHHUBPOXUKTO-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000602583564 349610986 /nfs/dbraw/zinc/61/09/86/349610986.db2.gz ZHMSMMXMSRSNHJ-AGIUHOORSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000602583566 349611067 /nfs/dbraw/zinc/61/10/67/349611067.db2.gz ZHMSMMXMSRSNHJ-JHJVBQTASA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1ncc(CN(CCC#N)C(C)C)o1 ZINC000600110838 342669938 /nfs/dbraw/zinc/66/99/38/342669938.db2.gz GPZLVEDAKMAKHS-UHFFFAOYSA-N 1 0 207.277 2.107 20 30 BEEDRO COc1cc(C[NH2+]C2CCC(C#N)CC2)ccn1 ZINC000602540393 349605561 /nfs/dbraw/zinc/60/55/61/349605561.db2.gz NUEBKJAPSVWFJF-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO Cc1cc([C@@H]2CCCN2CCCC#N)no1 ZINC000044590920 342690766 /nfs/dbraw/zinc/69/07/66/342690766.db2.gz BYAFZWXQNVNTHG-LBPRGKRZSA-N 1 0 219.288 2.424 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)C1CC(F)(F)C1 ZINC000600153949 342691885 /nfs/dbraw/zinc/69/18/85/342691885.db2.gz TXCRLKGBWFOGIP-MRVPVSSYSA-N 1 0 214.259 2.314 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cccc2n[nH]cc21 ZINC000600153248 342691948 /nfs/dbraw/zinc/69/19/48/342691948.db2.gz XHDOTBHTQLOSFV-LLVKDONJSA-N 1 0 228.299 2.345 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000335604178 136235815 /nfs/dbraw/zinc/23/58/15/136235815.db2.gz PEYPTVXFRXUJOQ-MCIGGMRASA-N 1 0 204.317 2.458 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000335603982 136235817 /nfs/dbraw/zinc/23/58/17/136235817.db2.gz BLUFHRIXIMJKGW-GWCFXTLKSA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](Cc2cccc3n[nH]cc32)C1 ZINC000600175795 342696609 /nfs/dbraw/zinc/69/66/09/342696609.db2.gz ZFTQKBYEHDUNBJ-AWEZNQCLSA-N 1 0 240.310 2.298 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000602588067 349613588 /nfs/dbraw/zinc/61/35/88/349613588.db2.gz KRCOMTIWPYWZRM-MGPQQGTHSA-N 1 0 238.375 2.409 20 30 BEEDRO Cc1cccc(CCN(C)C[C@H](C)C#N)n1 ZINC000399734233 342742252 /nfs/dbraw/zinc/74/22/52/342742252.db2.gz SSNSLBFFNCUZRI-LLVKDONJSA-N 1 0 217.316 2.024 20 30 BEEDRO Cc1cccc(CCN(C)C[C@@H](C)C#N)n1 ZINC000399734234 342742311 /nfs/dbraw/zinc/74/23/11/342742311.db2.gz SSNSLBFFNCUZRI-NSHDSACASA-N 1 0 217.316 2.024 20 30 BEEDRO C=C(C)C[N@H+](CC)CCc1cncc(C)n1 ZINC000649481686 398279689 /nfs/dbraw/zinc/27/96/89/398279689.db2.gz PLKJAODUOQJIEY-UHFFFAOYSA-N 1 0 219.332 2.226 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(F)c1F ZINC000320265712 342733153 /nfs/dbraw/zinc/73/31/53/342733153.db2.gz KREWRXOKAHMBOY-NSHDSACASA-N 1 0 241.281 2.382 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602564076 349616436 /nfs/dbraw/zinc/61/64/36/349616436.db2.gz LDKGNATTYTVXNC-YWPUVAFDSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccoc1 ZINC000320774547 342739669 /nfs/dbraw/zinc/73/96/69/342739669.db2.gz QKGXDBXHFJQUJW-CMPLNLGQSA-N 1 0 209.289 2.257 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCF ZINC000602566945 349618365 /nfs/dbraw/zinc/61/83/65/349618365.db2.gz GJVBZDYXSBNYLQ-NSHDSACASA-N 1 0 228.311 2.035 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)C1CCOCC1 ZINC000602565935 349618709 /nfs/dbraw/zinc/61/87/09/349618709.db2.gz CIJAZKADROYNSW-DCBWTQNWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348689632 136236885 /nfs/dbraw/zinc/23/68/85/136236885.db2.gz XBBCRURETJSTIW-LSDHHAIUSA-N 1 0 248.370 2.492 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cncn1C)C1CC1 ZINC000530513100 342801531 /nfs/dbraw/zinc/80/15/31/342801531.db2.gz BYYAXTWFTATCTI-AWEZNQCLSA-N 1 0 233.359 2.297 20 30 BEEDRO CC#CC[N@@H+]1CCCO[C@H](c2ccccc2)C1 ZINC000607729434 342784148 /nfs/dbraw/zinc/78/41/48/342784148.db2.gz CLDLLFLYCPCDDP-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO C#CC[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000381787526 346862773 /nfs/dbraw/zinc/86/27/73/346862773.db2.gz ZGLXLEGBOHBLHC-JTNHKYCSSA-N 1 0 215.296 2.162 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568722 349620070 /nfs/dbraw/zinc/62/00/70/349620070.db2.gz LFNKMZRLTQUZIH-XZNOPERXSA-N 1 0 247.386 2.141 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000602568889 349620270 /nfs/dbraw/zinc/62/02/70/349620270.db2.gz OWMSOLYZTYGILU-QMMMGPOBSA-N 1 0 225.313 2.199 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CN1C1CC1 ZINC000602569219 349620312 /nfs/dbraw/zinc/62/03/12/349620312.db2.gz NUUIUWHRUZNXDD-GFJIZPEISA-N 1 0 247.386 2.284 20 30 BEEDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000388343574 346863603 /nfs/dbraw/zinc/86/36/03/346863603.db2.gz KVSRAUKWPCQXMN-TVQRCGJNSA-N 1 0 234.299 2.054 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCCOC1 ZINC000355719409 398287999 /nfs/dbraw/zinc/28/79/99/398287999.db2.gz BOFCZCPOCYPCRC-IUODEOHRSA-N 1 0 244.338 2.463 20 30 BEEDRO COC1(C)C[NH+](CC(C)(C)CCC#N)C1 ZINC000362309463 536588877 /nfs/dbraw/zinc/58/88/77/536588877.db2.gz QKFPOAYKJSNZAE-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@]1([NH2+]CC#Cc2ccccc2)CCOC1 ZINC000378845741 538974503 /nfs/dbraw/zinc/97/45/03/538974503.db2.gz RWVIUOZKNHQNGU-HNNXBMFYSA-N 1 0 229.323 2.197 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000380167743 538986406 /nfs/dbraw/zinc/98/64/06/538986406.db2.gz CSZMBQDGNZDUGI-LOWDOPEQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000380364298 538989713 /nfs/dbraw/zinc/98/97/13/538989713.db2.gz ZYQRHOOPJKMXQY-VXGBXAGGSA-N 1 0 229.389 2.309 20 30 BEEDRO CC[NH+](CC)CCNc1c(C#N)cccc1C#N ZINC000302840871 398292092 /nfs/dbraw/zinc/29/20/92/398292092.db2.gz LUNDGTRHUHPPCI-UHFFFAOYSA-N 1 0 242.326 2.184 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc2ccccn12 ZINC000381462417 539001309 /nfs/dbraw/zinc/00/13/09/539001309.db2.gz KCDBDTRAFWBCTF-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO CC(C)[N@@H+](Cc1cccc(C#N)c1)C[C@H](C)O ZINC000303989808 398294133 /nfs/dbraw/zinc/29/41/33/398294133.db2.gz KTMSPMKOUGVZKB-LBPRGKRZSA-N 1 0 232.327 2.149 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000381744507 539006653 /nfs/dbraw/zinc/00/66/53/539006653.db2.gz PSMFJEUZIPOCKA-UONOGXRCSA-N 1 0 223.360 2.441 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000361828284 398294854 /nfs/dbraw/zinc/29/48/54/398294854.db2.gz KJKMVSKNKURREO-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602605446 349627422 /nfs/dbraw/zinc/62/74/22/349627422.db2.gz QYJMLVCAGIFUTK-OLZOCXBDSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)Cc1cccs1 ZINC000390431166 539021483 /nfs/dbraw/zinc/02/14/83/539021483.db2.gz PPPJLMFCWOMFTH-VXGBXAGGSA-N 1 0 239.384 2.453 20 30 BEEDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602607508 349629708 /nfs/dbraw/zinc/62/97/08/349629708.db2.gz LVMADYOZFTZIOU-FRRDWIJNSA-N 1 0 244.342 2.153 20 30 BEEDRO Cn1ccnc1[C@H](N[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000602607509 349630234 /nfs/dbraw/zinc/63/02/34/349630234.db2.gz LVMADYOZFTZIOU-JHJVBQTASA-N 1 0 244.342 2.153 20 30 BEEDRO CO[C@H](C[NH2+]CC(C)(C)C#N)CC(C)C ZINC000602608267 349631760 /nfs/dbraw/zinc/63/17/60/349631760.db2.gz SOQOMSQOJPHATM-NSHDSACASA-N 1 0 212.337 2.187 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H]2CCC[N@H+](C)[C@H]2C)n1 ZINC000342828874 342864973 /nfs/dbraw/zinc/86/49/73/342864973.db2.gz CAXOJUXVSPBQMM-AAEUAGOBSA-N 1 0 244.342 2.156 20 30 BEEDRO CO[C@H](C[NH2+]C[C@H](C)C#N)C1CCCCC1 ZINC000602608644 349632040 /nfs/dbraw/zinc/63/20/40/349632040.db2.gz UXEWTBCJGCZRII-DGCLKSJQSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000134584476 342871118 /nfs/dbraw/zinc/87/11/18/342871118.db2.gz CYLNPTCVYFNBGK-VIFPVBQESA-N 1 0 225.361 2.288 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000342837051 342875927 /nfs/dbraw/zinc/87/59/27/342875927.db2.gz VOTRFNUDUVPJNU-DGCLKSJQSA-N 1 0 244.342 2.156 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+]CCCCC#N ZINC000167267722 136245371 /nfs/dbraw/zinc/24/53/71/136245371.db2.gz MZGNXVCUXPLVHM-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1cncs1 ZINC000167256407 136245372 /nfs/dbraw/zinc/24/53/72/136245372.db2.gz ZVZMQKQKFDXUOX-VIFPVBQESA-N 1 0 209.318 2.488 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1ccnc(C#N)c1)C(C)C ZINC000233780062 342882094 /nfs/dbraw/zinc/88/20/94/342882094.db2.gz ZPLKLELVLFVCSE-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO CCOC[C@H]([NH2+]CC1(CC#N)CC1)C(C)C ZINC000233771413 342882671 /nfs/dbraw/zinc/88/26/71/342882671.db2.gz IMZRTNWQXUEJPY-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)[C@@H](O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000165233422 342887811 /nfs/dbraw/zinc/88/78/11/342887811.db2.gz FSALHHIXHODPBG-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO N#Cc1ccc(N2CCC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000060079516 342892930 /nfs/dbraw/zinc/89/29/30/342892930.db2.gz DJEQMPFTBJQSIH-OAHLLOKOSA-N 1 0 241.338 2.233 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000228025720 398321785 /nfs/dbraw/zinc/32/17/85/398321785.db2.gz BOTQPYZMYHSTCW-NEPJUHHUSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000602612730 349636840 /nfs/dbraw/zinc/63/68/40/349636840.db2.gz PZYJIUNGVWHDSU-IWSPIJDZSA-N 1 0 202.248 2.312 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000104158897 398323866 /nfs/dbraw/zinc/32/38/66/398323866.db2.gz MFGFQGHQDSBFLY-UHFFFAOYSA-N 1 0 245.370 2.421 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CCC(C#N)CC1 ZINC000602612854 349636231 /nfs/dbraw/zinc/63/62/31/349636231.db2.gz RYJNTQOHAIQTOU-CXQJBGSLSA-N 1 0 205.305 2.351 20 30 BEEDRO N#CC1CCC([NH2+][C@H](CCO)c2ccco2)CC1 ZINC000602612496 349636293 /nfs/dbraw/zinc/63/62/93/349636293.db2.gz TVYXCMYQZOHMSB-WXRRBKDZSA-N 1 0 248.326 2.375 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccncc1C ZINC000514652707 398327031 /nfs/dbraw/zinc/32/70/31/398327031.db2.gz UIAQZZCFBFNKTJ-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H](C)CCC#N)on1 ZINC000602594850 349643350 /nfs/dbraw/zinc/64/33/50/349643350.db2.gz UVILWDKQPBINDG-VIFPVBQESA-N 1 0 207.277 2.013 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602635401 349650588 /nfs/dbraw/zinc/65/05/88/349650588.db2.gz YAQJITADMYUFGR-WTIISPKJSA-N 1 0 222.332 2.083 20 30 BEEDRO Cc1cccc(CC[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602647660 349658827 /nfs/dbraw/zinc/65/88/27/349658827.db2.gz JMOJUAOKRCGPET-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602649897 349659183 /nfs/dbraw/zinc/65/91/83/349659183.db2.gz QPFXJVGLUFMQFJ-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@]1(O)CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000495212656 529441375 /nfs/dbraw/zinc/44/13/75/529441375.db2.gz NRMPVCOXKZPCIH-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO COCC1([NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602653081 349660414 /nfs/dbraw/zinc/66/04/14/349660414.db2.gz MDXOJHYSFNUXAG-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602638608 349652213 /nfs/dbraw/zinc/65/22/13/349652213.db2.gz RJSJNANJKSNDFB-RYUDHWBXSA-N 1 0 229.327 2.479 20 30 BEEDRO N#CC1(C[NH2+]CC2CCSCC2)CC1 ZINC000602642057 349654558 /nfs/dbraw/zinc/65/45/58/349654558.db2.gz HMFSUWNSLSNQLW-UHFFFAOYSA-N 1 0 210.346 2.023 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(CC#N)CC1)CC(C)C ZINC000602642080 349654605 /nfs/dbraw/zinc/65/46/05/349654605.db2.gz HSSRCPLWCOSGJS-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CC1(F)F ZINC000602643245 349655410 /nfs/dbraw/zinc/65/54/10/349655410.db2.gz PAWQAHRLDGUKGP-RKDXNWHRSA-N 1 0 214.259 2.314 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC(C2CCOCC2)C1 ZINC000602654428 349661125 /nfs/dbraw/zinc/66/11/25/349661125.db2.gz UOQGJJQIMSTOND-GFCCVEGCSA-N 1 0 236.359 2.285 20 30 BEEDRO CO[C@H](C[NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000602643590 349655915 /nfs/dbraw/zinc/65/59/15/349655915.db2.gz RBOHUZRVWNXZBB-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000602644481 349656731 /nfs/dbraw/zinc/65/67/31/349656731.db2.gz XZFWNDXICMXUDO-UTUOFQBUSA-N 1 0 204.317 2.316 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602649890 349658326 /nfs/dbraw/zinc/65/83/26/349658326.db2.gz QPFXJVGLUFMQFJ-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@](C)(C[NH2+]C[C@@H](C)CCC#N)C1CC1 ZINC000602675462 349668372 /nfs/dbraw/zinc/66/83/72/349668372.db2.gz JLAWOOYCZSDSFC-WCQYABFASA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)[N@@H+](C[C@@H](C)CCC#N)[C@@H]1CCOC1 ZINC000602675540 349669035 /nfs/dbraw/zinc/66/90/35/349669035.db2.gz KMCNRDWECYIGFY-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@](C)(C[NH2+]C[C@H](C)CCC#N)OC ZINC000602676452 349669358 /nfs/dbraw/zinc/66/93/58/349669358.db2.gz QCNITISEZJCXPV-NEPJUHHUSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1nn(C)cc1Cl ZINC000602677316 349670120 /nfs/dbraw/zinc/67/01/20/349670120.db2.gz XJRMFFLCIMPMND-VIFPVBQESA-N 1 0 240.738 2.103 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000602676742 349670129 /nfs/dbraw/zinc/67/01/29/349670129.db2.gz VTYYTQWWQAHFKE-MNOVXSKESA-N 1 0 233.315 2.378 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC2(CCO2)CC1 ZINC000602656514 349661925 /nfs/dbraw/zinc/66/19/25/349661925.db2.gz BJYDGXUCVOZDEV-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1cnc(C[NH2+]CC2CCC(C#N)CC2)o1 ZINC000602655274 349662050 /nfs/dbraw/zinc/66/20/50/349662050.db2.gz JHOLBOFGFYUDKW-UHFFFAOYSA-N 1 0 233.315 2.403 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602658472 349663445 /nfs/dbraw/zinc/66/34/45/349663445.db2.gz YLLACFUJPYEEGB-SLTAFYQDSA-N 1 0 249.402 2.389 20 30 BEEDRO CC(C)[C@H]1C[N@H+](C[C@@H](C)CCC#N)CCN1C ZINC000602629824 349665083 /nfs/dbraw/zinc/66/50/83/349665083.db2.gz JGWPJMLEHTZLBT-UONOGXRCSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(C2CC2)C[C@@H](C)C1 ZINC000602671072 349665840 /nfs/dbraw/zinc/66/58/40/349665840.db2.gz IJNSMMLQPVTOEP-KBPBESRZSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602677548 349671051 /nfs/dbraw/zinc/67/10/51/349671051.db2.gz YGIARDQYHQTDOY-UHFFFAOYSA-N 1 0 236.315 2.166 20 30 BEEDRO CCC[C@@]1(CO)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602671741 349666815 /nfs/dbraw/zinc/66/68/15/349666815.db2.gz VOSQPNALKBAAFT-ZIAGYGMSSA-N 1 0 238.375 2.411 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](C)CCC#N)ccn1 ZINC000602673580 349667495 /nfs/dbraw/zinc/66/74/95/349667495.db2.gz KZVUVIHUAQBEPB-LLVKDONJSA-N 1 0 217.316 2.420 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCOC1(C)C ZINC000602682199 349674352 /nfs/dbraw/zinc/67/43/52/349674352.db2.gz ZPFOEZUEYJIWCD-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO COc1ncc(C[NH2+]CC(C)(C)CC#N)s1 ZINC000602689845 349674489 /nfs/dbraw/zinc/67/44/89/349674489.db2.gz FGVYVVGJSFNYMS-UHFFFAOYSA-N 1 0 239.344 2.181 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccc(C#N)n1 ZINC000602683293 349675269 /nfs/dbraw/zinc/67/52/69/349675269.db2.gz WNEJYBRIVAEHHU-UHFFFAOYSA-N 1 0 201.273 2.009 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]CC)cc1 ZINC000037702146 342942631 /nfs/dbraw/zinc/94/26/31/342942631.db2.gz PFYUHRVJZIBYTI-UHFFFAOYSA-N 1 0 203.285 2.198 20 30 BEEDRO Cc1cccnc1CC[NH2+]C[C@@H](C)CCC#N ZINC000602684622 349676567 /nfs/dbraw/zinc/67/65/67/349676567.db2.gz ICFTZRCOLCPHKA-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO Cc1nocc1C[NH+]1CCC(CCC#N)CC1 ZINC000260252644 349677020 /nfs/dbraw/zinc/67/70/20/349677020.db2.gz XEUNWNLIVHYECF-UHFFFAOYSA-N 1 0 233.315 2.499 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602685517 349677108 /nfs/dbraw/zinc/67/71/08/349677108.db2.gz IHJIPNUMMSQJHI-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCOC1CC(C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000351730179 136250803 /nfs/dbraw/zinc/25/08/03/136250803.db2.gz LYRRWIPSJJTZMK-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000168256811 398340821 /nfs/dbraw/zinc/34/08/21/398340821.db2.gz HMOKLXYMUCSNIL-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(C[C@H](C)CCC#N)CC1 ZINC000602679115 349671381 /nfs/dbraw/zinc/67/13/81/349671381.db2.gz BKEWLTCPWVBFAX-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CC1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000602678952 349671582 /nfs/dbraw/zinc/67/15/82/349671582.db2.gz ZZRZRPXYDQYESN-UXUKBGGZSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000602681004 349673380 /nfs/dbraw/zinc/67/33/80/349673380.db2.gz HGUGDVFINNTOCN-KBPBESRZSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602680930 349673533 /nfs/dbraw/zinc/67/35/33/349673533.db2.gz HXMATEAKYDEYHY-XQQFMLRXSA-N 1 0 222.332 2.249 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000248523892 323024159 /nfs/dbraw/zinc/02/41/59/323024159.db2.gz SSUMQHHHSAPSGE-MGPQQGTHSA-N 1 0 223.360 2.482 20 30 BEEDRO COc1ccncc1C[NH2+]C1CCC(C#N)CC1 ZINC000602670043 349685641 /nfs/dbraw/zinc/68/56/41/349685641.db2.gz LKZNQBQWKLWJOF-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602668921 349686004 /nfs/dbraw/zinc/68/60/04/349686004.db2.gz YKMZEWAYUYXPSU-QKEWWQLBSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC2(C1)CCOCC2 ZINC000602689500 349680139 /nfs/dbraw/zinc/68/01/39/349680139.db2.gz VNCDLVCOKAGLPV-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO COC1([C@@H](C)[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602689424 349680523 /nfs/dbraw/zinc/68/05/23/349680523.db2.gz HLPICEZLAOGAEW-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000562535544 323023281 /nfs/dbraw/zinc/02/32/81/323023281.db2.gz VOWRELFGGWYGQC-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CSC[C@H]1C ZINC000602661759 349681193 /nfs/dbraw/zinc/68/11/93/349681193.db2.gz LNHRWFNDEWPBFI-MXWKQRLJSA-N 1 0 212.362 2.267 20 30 BEEDRO CC(C)C[C@@H](CO)[N@H+](C)C[C@@H](C)CCC#N ZINC000602663566 349682993 /nfs/dbraw/zinc/68/29/93/349682993.db2.gz CXUFPUWWXGNWDK-STQMWFEESA-N 1 0 226.364 2.265 20 30 BEEDRO CCCC[N@H+](CCCO)C[C@H](C)CCC#N ZINC000602664335 349683665 /nfs/dbraw/zinc/68/36/65/349683665.db2.gz UUHVWKWKNUJVKG-CYBMUJFWSA-N 1 0 226.364 2.411 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCCOC1 ZINC000602665674 349684075 /nfs/dbraw/zinc/68/40/75/349684075.db2.gz XLIRIHCGRMCRMR-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000351815681 136255047 /nfs/dbraw/zinc/25/50/47/136255047.db2.gz NQUYDHMJOVKFMN-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)CC#N ZINC000602692820 349689677 /nfs/dbraw/zinc/68/96/77/349689677.db2.gz ZZSHBSBCVGCCRN-LLVKDONJSA-N 1 0 207.321 2.456 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000602693139 349689699 /nfs/dbraw/zinc/68/96/99/349689699.db2.gz BKEQXVOQGRGKCS-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000602693140 349689826 /nfs/dbraw/zinc/68/98/26/349689826.db2.gz BKEQXVOQGRGKCS-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[NH2+]CC2CCSCC2)CCC1 ZINC000602694165 349690860 /nfs/dbraw/zinc/69/08/60/349690860.db2.gz GMGZSKHALUHVSW-UHFFFAOYSA-N 1 0 224.373 2.413 20 30 BEEDRO COCC[C@@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602695257 349691480 /nfs/dbraw/zinc/69/14/80/349691480.db2.gz MRELFKBKVCGGOZ-VXGBXAGGSA-N 1 0 212.337 2.188 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CS1 ZINC000602694907 349691580 /nfs/dbraw/zinc/69/15/80/349691580.db2.gz PHUBVGZWGPGIIN-UKKRHICBSA-N 1 0 210.346 2.162 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602695154 349691706 /nfs/dbraw/zinc/69/17/06/349691706.db2.gz DXOMULAPCMLVHX-YNEHKIRRSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602695152 349691759 /nfs/dbraw/zinc/69/17/59/349691759.db2.gz DXOMULAPCMLVHX-XQQFMLRXSA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](C)CCC#N)CCO1 ZINC000602695652 349692263 /nfs/dbraw/zinc/69/22/63/349692263.db2.gz BVWSQEZHDLAQLR-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]CC1(C#N)CCC1)OC ZINC000602695919 349692291 /nfs/dbraw/zinc/69/22/91/349692291.db2.gz QDWZVBSUHLUDNY-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO COCCCC[N@H+](C)C[C@H](C)CCC#N ZINC000602695825 349692327 /nfs/dbraw/zinc/69/23/27/349692327.db2.gz PHTBEMPMBBBCNZ-GFCCVEGCSA-N 1 0 212.337 2.285 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CCC#N)CCO1 ZINC000602695653 349692376 /nfs/dbraw/zinc/69/23/76/349692376.db2.gz BVWSQEZHDLAQLR-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000602696065 349692527 /nfs/dbraw/zinc/69/25/27/349692527.db2.gz CDNXRDFLNWNRAK-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)CS1 ZINC000602699096 349695337 /nfs/dbraw/zinc/69/53/37/349695337.db2.gz QSZIMYHTTPZWHK-VHSXEESVSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000602697708 349693806 /nfs/dbraw/zinc/69/38/06/349693806.db2.gz HQLIRUJHDIXGCT-QWHCGFSZSA-N 1 0 238.375 2.267 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@@H](O)C(C)C ZINC000602691287 349688190 /nfs/dbraw/zinc/68/81/90/349688190.db2.gz QNBWOYBNKRURNO-AVGNSLFASA-N 1 0 226.364 2.311 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000351812430 136254878 /nfs/dbraw/zinc/25/48/78/136254878.db2.gz FDUYPNHJAQSGBS-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)C(C)C ZINC000602692179 349689127 /nfs/dbraw/zinc/68/91/27/349689127.db2.gz WAFQFFLNCIQBGB-PQAZSJQKSA-N 1 0 238.375 2.454 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000351812424 136254904 /nfs/dbraw/zinc/25/49/04/136254904.db2.gz FDUYPNHJAQSGBS-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CCC[C@@H](CC#N)C1)OC ZINC000602704992 349698923 /nfs/dbraw/zinc/69/89/23/349698923.db2.gz IZNVLSHXIYMDBS-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CCC[C@H](CC#N)C1)OC ZINC000602704989 349699013 /nfs/dbraw/zinc/69/90/13/349699013.db2.gz IZNVLSHXIYMDBS-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000602707590 349700877 /nfs/dbraw/zinc/70/08/77/349700877.db2.gz NWCBSRUGABKWLW-OLZOCXBDSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000602707701 349700919 /nfs/dbraw/zinc/70/09/19/349700919.db2.gz PBXCJDNJMLQPRK-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC2(CC2(F)F)C1 ZINC000602708848 349701950 /nfs/dbraw/zinc/70/19/50/349701950.db2.gz YRKXSKKHJUACMG-SECBINFHSA-N 1 0 214.259 2.267 20 30 BEEDRO Cc1ccncc1CC[NH2+]C[C@@H](C)CCC#N ZINC000602711672 349704163 /nfs/dbraw/zinc/70/41/63/349704163.db2.gz URYNXZPMFYIBBQ-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO C=CC[N@@H+](CC(=O)N(C)C)CC1CCCCC1 ZINC000351815131 136255457 /nfs/dbraw/zinc/25/54/57/136255457.db2.gz ZLGUYXYNOBFDDJ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO COCC1([NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000602704426 349698091 /nfs/dbraw/zinc/69/80/91/349698091.db2.gz DHNKZAFPRCSEQM-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000351845120 136256918 /nfs/dbraw/zinc/25/69/18/136256918.db2.gz QTSOSJCTLJZSLM-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000351848375 136256985 /nfs/dbraw/zinc/25/69/85/136256985.db2.gz BGCRRISHXRYBHH-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CCCCC ZINC000362960467 346908963 /nfs/dbraw/zinc/90/89/63/346908963.db2.gz NXISVEAFEQHTAS-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CSC1(C[NH2+]CC2(C#N)CC2)CCC1 ZINC000308754516 346909738 /nfs/dbraw/zinc/90/97/38/346909738.db2.gz VSNACYZIEXJSQI-UHFFFAOYSA-N 1 0 210.346 2.165 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](CC(C)C)C(=O)OC ZINC000351852515 136257842 /nfs/dbraw/zinc/25/78/42/136257842.db2.gz AUZMHRVKZFCAMR-GFCCVEGCSA-N 1 0 227.348 2.472 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)[C@H](C)O1 ZINC000602736938 349720885 /nfs/dbraw/zinc/72/08/85/349720885.db2.gz RYZYDQXRFWLJCX-OVIZCXLRSA-N 1 0 222.332 2.224 20 30 BEEDRO CC[C@@]1(O)CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602739086 349709112 /nfs/dbraw/zinc/70/91/12/349709112.db2.gz IOZFMLNBTZZGEP-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](C[NH+]1CCN(CCC#N)CC1)C(C)(C)C ZINC000602748930 349711823 /nfs/dbraw/zinc/71/18/23/349711823.db2.gz XEIDKURVQJYXKL-CYBMUJFWSA-N 1 0 237.391 2.200 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000602719655 349712208 /nfs/dbraw/zinc/71/22/08/349712208.db2.gz RCIGXHCLMQCWNB-IGQOVBAYSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@]12C[C@@H]1COC2(C)C ZINC000602719763 349712312 /nfs/dbraw/zinc/71/23/12/349712312.db2.gz GMPHMKFJPVNIIY-WZRBSPASSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCOC1(C)C ZINC000602720818 349712948 /nfs/dbraw/zinc/71/29/48/349712948.db2.gz DYMHJVSHFZUQMW-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C/C=C\C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602726136 349715822 /nfs/dbraw/zinc/71/58/22/349715822.db2.gz UNIGJHHEYMTTDH-VSQXVHSFSA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)F ZINC000602727375 349716494 /nfs/dbraw/zinc/71/64/94/349716494.db2.gz PMZRBMVSGVHHFG-NSHDSACASA-N 1 0 242.338 2.423 20 30 BEEDRO N#CCC1(C[NH+]2CCC(c3c[nH]cn3)CC2)CC1 ZINC000602794344 349736510 /nfs/dbraw/zinc/73/65/10/349736510.db2.gz WDIPGXHTCHAIRX-UHFFFAOYSA-N 1 0 244.342 2.283 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000602796239 349737835 /nfs/dbraw/zinc/73/78/35/349737835.db2.gz WPELYOXKFOJWDL-LBPRGKRZSA-N 1 0 244.342 2.283 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000335903012 136260056 /nfs/dbraw/zinc/26/00/56/136260056.db2.gz VCLHTWNULLRXCB-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO COCC1(C)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000602800217 349740709 /nfs/dbraw/zinc/74/07/09/349740709.db2.gz KPDXBCOHMDVZKK-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CC2(CC#N)CC2)C[C@H]1C ZINC000602779847 349745990 /nfs/dbraw/zinc/74/59/90/349745990.db2.gz SQQMIMLPSVJXLB-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H]1OCC[C@@H]1CN(CCC#N)Cc1ccco1 ZINC000602780378 349746050 /nfs/dbraw/zinc/74/60/50/349746050.db2.gz HSMBYHLZZHRSJI-CHWSQXEVSA-N 1 0 248.326 2.420 20 30 BEEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C2CC2)O1 ZINC000602823022 349763545 /nfs/dbraw/zinc/76/35/45/349763545.db2.gz UFYRPJFIYIIHCE-AAEUAGOBSA-N 1 0 234.343 2.180 20 30 BEEDRO CC[NH+](CC)CCOc1cccc(C#N)c1 ZINC000011798817 343019771 /nfs/dbraw/zinc/01/97/71/343019771.db2.gz URIBBSUDFKHAHK-UHFFFAOYSA-N 1 0 218.300 2.279 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000171501782 343021440 /nfs/dbraw/zinc/02/14/40/343021440.db2.gz WJUYNCAWQYARMV-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000602785280 349749041 /nfs/dbraw/zinc/74/90/41/349749041.db2.gz ATIKGSAJWWXPQB-CHWSQXEVSA-N 1 0 234.343 2.181 20 30 BEEDRO CC[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@@H](C)O1 ZINC000602786471 349750286 /nfs/dbraw/zinc/75/02/86/349750286.db2.gz UFXGWTIWUNXMAW-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC1(CC#N)CC1 ZINC000602831329 349767484 /nfs/dbraw/zinc/76/74/84/349767484.db2.gz NPOAEUHSCJBAJE-KBPBESRZSA-N 1 0 247.386 2.239 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCO1 ZINC000602809899 349754339 /nfs/dbraw/zinc/75/43/39/349754339.db2.gz JEOTWGZOIBVKPA-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCO1 ZINC000602809898 349755120 /nfs/dbraw/zinc/75/51/20/349755120.db2.gz JEOTWGZOIBVKPA-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602862446 349773483 /nfs/dbraw/zinc/77/34/83/349773483.db2.gz JCKIVDGJJDTZOQ-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H]1C ZINC000602839591 349778642 /nfs/dbraw/zinc/77/86/42/349778642.db2.gz HNYYAWYDBBMGQT-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC(O)(CC)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336740787 168419056 /nfs/dbraw/zinc/41/90/56/168419056.db2.gz QNAXJARTYWJQOG-VXGBXAGGSA-N 1 0 224.348 2.209 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)CC1 ZINC000602841203 349779241 /nfs/dbraw/zinc/77/92/41/349779241.db2.gz NKJMXRKSOBEDFP-UONOGXRCSA-N 1 0 248.370 2.067 20 30 BEEDRO C[C@H]1CN(c2ccc(F)cc2C#N)C[C@H](C)[NH+]1C ZINC000135265148 344024479 /nfs/dbraw/zinc/02/44/79/344024479.db2.gz IXSOAMFLNRNCLO-QWRGUYRKSA-N 1 0 247.317 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000602844037 349780950 /nfs/dbraw/zinc/78/09/50/349780950.db2.gz YEYWPUAKUUMRCE-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCC(=O)Nc1ccccc1F ZINC000602860152 349771544 /nfs/dbraw/zinc/77/15/44/349771544.db2.gz BOZHOUHTUSQVPK-JTQLQIEISA-N 1 0 249.289 2.046 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)N1CC#N ZINC000602854972 349788261 /nfs/dbraw/zinc/78/82/61/349788261.db2.gz FNUIIFYFNTZXFD-ZIAGYGMSSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCN(C#N)CC)C1 ZINC000602881089 349791105 /nfs/dbraw/zinc/79/11/05/349791105.db2.gz CRIFTECGDZUMTE-CYBMUJFWSA-N 1 0 221.348 2.077 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000336477922 136263977 /nfs/dbraw/zinc/26/39/77/136263977.db2.gz WKLYBWQWCKJQRN-GFJIZPEISA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCCCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849699 349784557 /nfs/dbraw/zinc/78/45/57/349784557.db2.gz MHXYBECATOXEGM-ZIAGYGMSSA-N 1 0 235.375 2.261 20 30 BEEDRO CCC[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849426 349785058 /nfs/dbraw/zinc/78/50/58/349785058.db2.gz LFBNLIMSTXLXPW-RWMBFGLXSA-N 1 0 223.364 2.093 20 30 BEEDRO CCC[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849428 349785065 /nfs/dbraw/zinc/78/50/65/349785065.db2.gz LFBNLIMSTXLXPW-YNEHKIRRSA-N 1 0 223.364 2.093 20 30 BEEDRO CC(C)=CCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851763 349786297 /nfs/dbraw/zinc/78/62/97/349786297.db2.gz XPDRUVFYMGYZPE-OKILXGFUSA-N 1 0 235.375 2.261 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1cc(Cl)ccc1C#N ZINC000168351057 136267810 /nfs/dbraw/zinc/26/78/10/136267810.db2.gz SAGKSMQOWKOJGI-SECBINFHSA-N 1 0 237.734 2.479 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCOc1cccc(C#N)c1 ZINC000602864298 349796329 /nfs/dbraw/zinc/79/63/29/349796329.db2.gz RTFWBPSJAIJLFV-LBPRGKRZSA-N 1 0 243.310 2.219 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000387506872 343095655 /nfs/dbraw/zinc/09/56/55/343095655.db2.gz DQVVDYADSYXGTQ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000074289314 343119103 /nfs/dbraw/zinc/11/91/03/343119103.db2.gz DJYHCYZBKOXNGL-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000305069016 136269702 /nfs/dbraw/zinc/26/97/02/136269702.db2.gz ISXWPUGLBVPXAZ-UPJWGTAASA-N 1 0 211.349 2.291 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[C@@H](O)C2)C1 ZINC000185841997 136270477 /nfs/dbraw/zinc/27/04/77/136270477.db2.gz LMOYSCOSIQFAAI-IGQOVBAYSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C)[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@H]2CCO[C@@H]21 ZINC000185842747 136270478 /nfs/dbraw/zinc/27/04/78/136270478.db2.gz OXGLOPNCMZBJIH-ZSLBOAEBSA-N 1 0 248.370 2.472 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000185842018 136270641 /nfs/dbraw/zinc/27/06/41/136270641.db2.gz LMOYSCOSIQFAAI-REWJHTLYSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)C1CCCCC1 ZINC000339066537 136271146 /nfs/dbraw/zinc/27/11/46/136271146.db2.gz TTZBIVMIFIUXQZ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCOCCC#N ZINC000339091578 136271374 /nfs/dbraw/zinc/27/13/74/136271374.db2.gz WFIXXDVKNXNNFQ-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(F)(F)F)C1CC1 ZINC000125295776 136271438 /nfs/dbraw/zinc/27/14/38/136271438.db2.gz PBVSKSNMYOECPJ-UWVGGRQHSA-N 1 0 237.265 2.244 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCCOC(C)(C)C ZINC000602869910 349800575 /nfs/dbraw/zinc/80/05/75/349800575.db2.gz JSDPQBNUBLAPTE-LLVKDONJSA-N 1 0 212.337 2.473 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)c1ccc(C)cc1 ZINC000120539371 136275961 /nfs/dbraw/zinc/27/59/61/136275961.db2.gz DJVOSVYVJJDZGN-AWEZNQCLSA-N 1 0 246.354 2.338 20 30 BEEDRO N#Cc1cccc(C[N@@H+](CCO)C2CCCC2)c1 ZINC000048283889 343219718 /nfs/dbraw/zinc/21/97/18/343219718.db2.gz RVQCDSSWLRTQQA-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCN1CCC1 ZINC000309195466 133467590 /nfs/dbraw/zinc/46/75/90/133467590.db2.gz QMDUMSBSBQBFCE-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO N#CCCCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000273311673 136284124 /nfs/dbraw/zinc/28/41/24/136284124.db2.gz CCYYOVZOFCKJFL-UHFFFAOYSA-N 1 0 242.326 2.206 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000602871114 349802804 /nfs/dbraw/zinc/80/28/04/349802804.db2.gz OYJMNLILNNIBNE-LLVKDONJSA-N 1 0 226.270 2.411 20 30 BEEDRO CC[N@H+](CCNc1nccc(C)c1C#N)C(C)C ZINC000343469149 343250139 /nfs/dbraw/zinc/25/01/39/343250139.db2.gz BLDADXFEGIXVIH-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC[C@@H]1C ZINC000339112875 136280308 /nfs/dbraw/zinc/28/03/08/136280308.db2.gz WEWMUHWNQFEQKH-WUHRBBMRSA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@H]1[C@@H](Nc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343542926 343253438 /nfs/dbraw/zinc/25/34/38/343253438.db2.gz SPBREVQAPXFWBO-FZMZJTMJSA-N 1 0 229.327 2.453 20 30 BEEDRO C[C@@H]1[C@H](Nc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343542925 343253514 /nfs/dbraw/zinc/25/35/14/343253514.db2.gz SPBREVQAPXFWBO-BXUZGUMPSA-N 1 0 229.327 2.453 20 30 BEEDRO C=CCN1CC(C)(C)[N@@H+](CC=C)C[C@@H]1C ZINC000296688239 136290927 /nfs/dbraw/zinc/29/09/27/136290927.db2.gz JJNSEIYRFCWUNI-LBPRGKRZSA-N 1 0 208.349 2.143 20 30 BEEDRO C=CCC[C@H]([NH2+]CCn1cnnc1CC)C1CC1 ZINC000121445970 343266501 /nfs/dbraw/zinc/26/65/01/343266501.db2.gz HEYYAHSHCDUJPG-ZDUSSCGKSA-N 1 0 248.374 2.175 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnn(CC(C)C)c1 ZINC000119659901 136291808 /nfs/dbraw/zinc/29/18/08/136291808.db2.gz XQCZYRXBSRLUQQ-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000119658042 136291883 /nfs/dbraw/zinc/29/18/83/136291883.db2.gz FGEDLIQIUKLHQC-UHFFFAOYSA-N 1 0 242.326 2.241 20 30 BEEDRO CN1CC[C@H]([NH2+]CCCC#N)[C@H]1c1ccccc1 ZINC000284227666 136287177 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346968024 /nfs/dbraw/zinc/96/80/24/346968024.db2.gz KHKYYTKCMOLDSS-UHFFFAOYSA-N 1 0 242.326 2.426 20 30 BEEDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000309122583 346968768 /nfs/dbraw/zinc/96/87/68/346968768.db2.gz PORANAURLPLGGW-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H]1SCCN(Cc2cccc(C#N)n2)[C@H]1C ZINC000602473956 343762217 /nfs/dbraw/zinc/76/22/17/343762217.db2.gz MWBGDOPDSSVYCR-QWRGUYRKSA-N 1 0 247.367 2.279 20 30 BEEDRO C=CC[C@H]1CCN(Cc2noc(CCC)n2)C1 ZINC000625699674 344038898 /nfs/dbraw/zinc/03/88/98/344038898.db2.gz CJHVPZMOSACNKB-NSHDSACASA-N 1 0 235.331 2.420 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1scnc1C1CC1 ZINC000336661480 537818544 /nfs/dbraw/zinc/81/85/44/537818544.db2.gz BWQGTKNDYCLWGE-SNVBAGLBSA-N 1 0 238.356 2.047 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC000625699608 344039187 /nfs/dbraw/zinc/03/91/87/344039187.db2.gz AVIAPJXHCIQCJQ-LBPRGKRZSA-N 1 0 219.332 2.127 20 30 BEEDRO CN(Cc1ccc(F)cc1C#N)[C@H]1CCCOC1 ZINC000334190434 343833895 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/nfs/dbraw/zinc/90/34/31/343903431.db2.gz SSSYZCXUIKQTBC-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000334740395 343905065 /nfs/dbraw/zinc/90/50/65/343905065.db2.gz VWULGFSZONVJFH-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccn(C)c1)C(C)(C)C ZINC000290269465 343908321 /nfs/dbraw/zinc/90/83/21/343908321.db2.gz XQTJYMYDOXKCKC-LBPRGKRZSA-N 1 0 204.317 2.163 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CC[C@H]1C ZINC000307427741 343937122 /nfs/dbraw/zinc/93/71/22/343937122.db2.gz RWLFXCZWQOQUAT-HTRCEHHLSA-N 1 0 204.111 2.283 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000313004202 343971323 /nfs/dbraw/zinc/97/13/23/343971323.db2.gz PFFGQVRPOYIFRY-ZDUSSCGKSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1 ZINC000625701462 344042028 /nfs/dbraw/zinc/04/20/28/344042028.db2.gz JXMNSYHLHSJBOL-NWDGAFQWSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC000625701397 344042876 /nfs/dbraw/zinc/04/28/76/344042876.db2.gz RAXVRJAYKJLCCF-GFCCVEGCSA-N 1 0 232.327 2.488 20 30 BEEDRO CC/C=C\C[NH2+]Cc1cccc(C#N)n1 ZINC000602674886 343955763 /nfs/dbraw/zinc/95/57/63/343955763.db2.gz HHEDSGNDJHFNDS-ARJAWSKDSA-N 1 0 201.273 2.009 20 30 BEEDRO Cc1cccc(C[N@H+](C)CCCC#N)n1 ZINC000092695988 343960806 /nfs/dbraw/zinc/96/08/06/343960806.db2.gz SCOCADKSMCXOED-UHFFFAOYSA-N 1 0 203.289 2.126 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(CCCC[NH3+])nn1 ZINC000641233195 362284677 /nfs/dbraw/zinc/28/46/77/362284677.db2.gz KXDHTYNINCEOOG-GFCCVEGCSA-N 1 0 236.363 2.477 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000625703234 344048366 /nfs/dbraw/zinc/04/83/66/344048366.db2.gz RNSBDVGYMXJQOU-GHMZBOCLSA-N 1 0 231.286 2.309 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000625702045 344052948 /nfs/dbraw/zinc/05/29/48/344052948.db2.gz MPFLCBCWVPFMDK-JKSUJKDBSA-N 1 0 245.366 2.488 20 30 BEEDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000216210862 344058241 /nfs/dbraw/zinc/05/82/41/344058241.db2.gz KIEPNRJENALMIN-NXEZZACHSA-N 1 0 249.745 2.385 20 30 BEEDRO CC[C@@H]([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603259851 349902085 /nfs/dbraw/zinc/90/20/85/349902085.db2.gz KGHTWPMMQUDBRM-SNVBAGLBSA-N 1 0 235.335 2.018 20 30 BEEDRO CC[C@](C)([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603260213 349902186 /nfs/dbraw/zinc/90/21/86/349902186.db2.gz LOTNDMXBDSTKLN-ZDUSSCGKSA-N 1 0 249.362 2.192 20 30 BEEDRO C[NH+]1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000313495496 344087361 /nfs/dbraw/zinc/08/73/61/344087361.db2.gz OSERHOALVVXMGV-UHFFFAOYSA-N 1 0 229.327 2.259 20 30 BEEDRO C=CCOCC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625837519 344089934 /nfs/dbraw/zinc/08/99/34/344089934.db2.gz SXFQBVDXMNAODC-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCSC(C)(C)CC1 ZINC000684003540 488254931 /nfs/dbraw/zinc/25/49/31/488254931.db2.gz UPTKPSGVYBVXCC-LLVKDONJSA-N 1 0 229.389 2.141 20 30 BEEDRO CC#CCC[N@@H+](CC(=O)OCC)C1CCCC1 ZINC000155989428 344122429 /nfs/dbraw/zinc/12/24/29/344122429.db2.gz ILRINCCHFJTHAJ-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1cnn(C)c1 ZINC000129644497 344215047 /nfs/dbraw/zinc/21/50/47/344215047.db2.gz LGXLPISGGDPEGJ-JQWIXIFHSA-N 1 0 207.321 2.425 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000289320974 344251857 /nfs/dbraw/zinc/25/18/57/344251857.db2.gz FSVMWYNGBIHOOD-MWLCHTKSSA-N 1 0 236.340 2.106 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000135410679 344266088 /nfs/dbraw/zinc/26/60/88/344266088.db2.gz IOCGRSCTTAPZEF-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO CN(C)c1ccc(CN(C)CC(C)(C)C#N)cn1 ZINC000590373299 347043912 /nfs/dbraw/zinc/04/39/12/347043912.db2.gz WWXMLIBRQVTPDI-UHFFFAOYSA-N 1 0 246.358 2.129 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779898 344317757 /nfs/dbraw/zinc/31/77/57/344317757.db2.gz KOKOQLZSAFGIKE-RWMBFGLXSA-N 1 0 209.333 2.309 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600608861 344335350 /nfs/dbraw/zinc/33/53/50/344335350.db2.gz ZCUBZZYKBVYJAT-MROQNXINSA-N 1 0 217.316 2.208 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CN1 ZINC000600710617 344360717 /nfs/dbraw/zinc/36/07/17/344360717.db2.gz POHMDJVCYVCGCQ-NELGMTEASA-N 1 0 235.375 2.189 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CN1 ZINC000600710619 344361052 /nfs/dbraw/zinc/36/10/52/344361052.db2.gz POHMDJVCYVCGCQ-ZIHBUVQPSA-N 1 0 235.375 2.189 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600723459 344363232 /nfs/dbraw/zinc/36/32/32/344363232.db2.gz UQCJMEKXTWWWGO-JHJVBQTASA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000600746490 344368744 /nfs/dbraw/zinc/36/87/44/344368744.db2.gz HOQJRVXHPIXOFR-RVMXOQNASA-N 1 0 236.359 2.065 20 30 BEEDRO CCC(C#N)(CC)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000600771255 344372048 /nfs/dbraw/zinc/37/20/48/344372048.db2.gz IZKJPQXNOVDAFL-VIFPVBQESA-N 1 0 234.303 2.075 20 30 BEEDRO CC1([NH2+]Cc2ccc(C3(C#N)CC3)cc2)COC1 ZINC000600860020 344383857 /nfs/dbraw/zinc/38/38/57/344383857.db2.gz QGZNNTNIOJQTGK-UHFFFAOYSA-N 1 0 242.322 2.120 20 30 BEEDRO CN(CC1(CC#N)CC1)CC1([NH+](C)C)CCC1 ZINC000097927978 344403473 /nfs/dbraw/zinc/40/34/73/344403473.db2.gz LUXZYNOOTAMKNH-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]Cc1cc(C#N)cs1 ZINC000166041366 344405178 /nfs/dbraw/zinc/40/51/78/344405178.db2.gz TXXFDCGPYGWQPZ-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO N#Cc1ccc(OCCC2CC[NH2+]CC2)cc1 ZINC000116913739 344505509 /nfs/dbraw/zinc/50/55/09/344505509.db2.gz XPCWTCKQZFTWET-UHFFFAOYSA-N 1 0 230.311 2.327 20 30 BEEDRO COCC[N@H+](CCCCC#N)CC(C)C ZINC000042369108 344450985 /nfs/dbraw/zinc/45/09/85/344450985.db2.gz ICGKAEQTRDDLJY-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2cc(C#N)cs2)C1 ZINC000092938800 344462258 /nfs/dbraw/zinc/46/22/58/344462258.db2.gz ZJMDIQVUZAOHPP-LBPRGKRZSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135496685 344483674 /nfs/dbraw/zinc/48/36/74/344483674.db2.gz UUIWYAQUSXLDPN-IUCAKERBSA-N 1 0 206.314 2.365 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000135501802 344484854 /nfs/dbraw/zinc/48/48/54/344484854.db2.gz KKRMQOBCQHCRCV-GFCCVEGCSA-N 1 0 238.356 2.380 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765677 344492803 /nfs/dbraw/zinc/49/28/03/344492803.db2.gz PAQDQCQYQJSZIR-JTQLQIEISA-N 1 0 203.289 2.184 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000259287736 344572667 /nfs/dbraw/zinc/57/26/67/344572667.db2.gz OUEWRVMCACKWDR-LBPRGKRZSA-N 1 0 215.300 2.207 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000259287733 344572711 /nfs/dbraw/zinc/57/27/11/344572711.db2.gz OUEWRVMCACKWDR-GFCCVEGCSA-N 1 0 215.300 2.207 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](N2CCCCC2=O)C1 ZINC000370897436 344540135 /nfs/dbraw/zinc/54/01/35/344540135.db2.gz HIXPYSMIXSVSEF-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO CC(C)(C)CC[NH2+]C1CCN(CC#N)CC1 ZINC000309421770 347059116 /nfs/dbraw/zinc/05/91/16/347059116.db2.gz ZTHIZOJNYJVQKJ-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO N#CCCC[N@H+](Cc1ccccn1)C1CC1 ZINC000181343923 347056288 /nfs/dbraw/zinc/05/62/88/347056288.db2.gz YWPINVMTLRAGCE-UHFFFAOYSA-N 1 0 215.300 2.350 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCO1 ZINC000309412140 347056459 /nfs/dbraw/zinc/05/64/59/347056459.db2.gz IRVZKMTVMGUCNA-SDDRHHMPSA-N 1 0 222.332 2.226 20 30 BEEDRO Cn1cc(CN(CCC#N)CC(C)(C)C)cn1 ZINC000111250239 344585913 /nfs/dbraw/zinc/58/59/13/344585913.db2.gz VALREJPLZZJJPH-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCc1nncn1CC ZINC000678589735 488269070 /nfs/dbraw/zinc/26/90/70/488269070.db2.gz WBKDIEQBXWPQGX-GFCCVEGCSA-N 1 0 236.363 2.175 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCCC1(F)F ZINC000491787517 259378479 /nfs/dbraw/zinc/37/84/79/259378479.db2.gz QSBKWDKPFPHCGS-ZJUUUORDSA-N 1 0 201.260 2.375 20 30 BEEDRO Cc1ccc(F)c(CC[NH2+]CCC#N)c1 ZINC000574071316 344650020 /nfs/dbraw/zinc/65/00/20/344650020.db2.gz DPKHBZOTLWUNFP-UHFFFAOYSA-N 1 0 206.264 2.180 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625975955 344638275 /nfs/dbraw/zinc/63/82/75/344638275.db2.gz GTMXOJQUWBHONE-PPCPHDFISA-N 1 0 209.333 2.190 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000152948172 344725495 /nfs/dbraw/zinc/72/54/95/344725495.db2.gz NJCYWUNKLQVLHK-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO COCCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000397238068 344729482 /nfs/dbraw/zinc/72/94/82/344729482.db2.gz ZADXDRPETJBMGB-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046116 344695309 /nfs/dbraw/zinc/69/53/09/344695309.db2.gz QJHXFMOTQHKICF-UPJWGTAASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCCC[NH+]1CCN(CCCF)CC1 ZINC000626069944 344714499 /nfs/dbraw/zinc/71/44/99/344714499.db2.gz RYAOHLLCWCPVPE-UHFFFAOYSA-N 1 0 228.355 2.320 20 30 BEEDRO CO[C@H]1CC[N@H+](CC2(CC#N)CC2)[C@H](C)C1 ZINC000304155024 537860066 /nfs/dbraw/zinc/86/00/66/537860066.db2.gz IZGVSPGDXUEWIW-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000075776312 344791815 /nfs/dbraw/zinc/79/18/15/344791815.db2.gz LVDJRPAWHACXSV-NEPJUHHUSA-N 1 0 232.327 2.322 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000449523852 344809878 /nfs/dbraw/zinc/80/98/78/344809878.db2.gz YWNGFGNIEYNABV-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000583367340 344838105 /nfs/dbraw/zinc/83/81/05/344838105.db2.gz PXSSOKLGQLSFGU-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000077656467 344825002 /nfs/dbraw/zinc/82/50/02/344825002.db2.gz RVWPQSSEFHHIGP-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C[N@H+](CCCn1ccnc1)CCC(C)(C)C#N ZINC000119745876 344861645 /nfs/dbraw/zinc/86/16/45/344861645.db2.gz OWDOGEUWAPZRCQ-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc(OC)c1OC ZINC000153395799 344865780 /nfs/dbraw/zinc/86/57/80/344865780.db2.gz PLVYWOXUJOKJIL-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO C=C(Br)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000235437607 344911237 /nfs/dbraw/zinc/91/12/37/344911237.db2.gz FGSRZVMUMWXXMB-DTWKUNHWSA-N 1 0 234.137 2.052 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC1(CC#N)CC1 ZINC000394347277 344887965 /nfs/dbraw/zinc/88/79/65/344887965.db2.gz IULJQGYWUVPRML-QSLWVIQJSA-N 1 0 246.354 2.035 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cnn(C)c1)C1CC1 ZINC000120368744 344888912 /nfs/dbraw/zinc/88/89/12/344888912.db2.gz AGORHQZCFFBENJ-CQSZACIVSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CCN(C)CC(=O)Nc1ccc(F)cc1F ZINC000121562453 344929303 /nfs/dbraw/zinc/92/93/03/344929303.db2.gz MJNNAZTUJSTRSB-UHFFFAOYSA-N 1 0 240.253 2.021 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccco1 ZINC000121193071 344915788 /nfs/dbraw/zinc/91/57/88/344915788.db2.gz JGFLKMWDMPMIPP-LLVKDONJSA-N 1 0 209.289 2.039 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000235448542 344915913 /nfs/dbraw/zinc/91/59/13/344915913.db2.gz KNEAJOASTGPUES-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]CCC#N ZINC000574750545 344990574 /nfs/dbraw/zinc/99/05/74/344990574.db2.gz XJQGAGZNPQADKK-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]([C@H](CO)C2CC2)C2CC2)C1 ZINC000574757770 344997719 /nfs/dbraw/zinc/99/77/19/344997719.db2.gz MLZQCNMYLLCBPU-KAOXEZKKSA-N 1 0 248.370 2.065 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]([C@@H](CO)C2CC2)C2CC2)C1 ZINC000574757773 344997806 /nfs/dbraw/zinc/99/78/06/344997806.db2.gz MLZQCNMYLLCBPU-SDJAHQOYSA-N 1 0 248.370 2.065 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(C#N)CC1 ZINC000087592200 534985489 /nfs/dbraw/zinc/98/54/89/534985489.db2.gz CZGBUHIMFVZBOU-UHFFFAOYSA-N 1 0 205.305 2.162 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000166676386 166211521 /nfs/dbraw/zinc/21/15/21/166211521.db2.gz HIUFTGCWIUPRQK-SECBINFHSA-N 1 0 235.714 2.386 20 30 BEEDRO CC#CCN(CCOC)Cc1ccc(C)o1 ZINC000125421141 345078591 /nfs/dbraw/zinc/07/85/91/345078591.db2.gz NREUNBOXILPQPR-UHFFFAOYSA-N 1 0 221.300 2.060 20 30 BEEDRO CC[NH+]1CCC(CNc2ccc(C#N)cn2)CC1 ZINC000044411754 345058868 /nfs/dbraw/zinc/05/88/68/345058868.db2.gz HUAHROKJURZUEK-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)O/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000127171174 345161042 /nfs/dbraw/zinc/16/10/42/345161042.db2.gz WIQXNEUVTGNPQX-RVDMUPIBSA-N 1 0 248.326 2.282 20 30 BEEDRO CC#CCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000156475352 345163090 /nfs/dbraw/zinc/16/30/90/345163090.db2.gz SJGAWSMRLMPSEA-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000563069834 323084559 /nfs/dbraw/zinc/08/45/59/323084559.db2.gz ZLDFCRLOPGSHGI-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO N#CCC[C@H](C#N)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000239619543 345138436 /nfs/dbraw/zinc/13/84/36/345138436.db2.gz BFIPNKRSFRHIPX-AGIUHOORSA-N 1 0 217.316 2.162 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCCOC)cc1 ZINC000289248861 345215702 /nfs/dbraw/zinc/21/57/02/345215702.db2.gz LQYJVOLBKNQFKS-UHFFFAOYSA-N 1 0 217.312 2.184 20 30 BEEDRO C=CCc1cccc(OCC[NH+](C)C)c1 ZINC000667946077 537893153 /nfs/dbraw/zinc/89/31/53/537893153.db2.gz SMJLEDFWSJYOJN-UHFFFAOYSA-N 1 0 205.301 2.356 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cccc(F)c1 ZINC000133670071 345383244 /nfs/dbraw/zinc/38/32/44/345383244.db2.gz LDRXMUGSHBPYMT-UHFFFAOYSA-N 1 0 210.252 2.271 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)CCn1cccn1 ZINC000134636385 345417484 /nfs/dbraw/zinc/41/74/84/345417484.db2.gz DDBRARJCJZNRKB-LBPRGKRZSA-N 1 0 239.388 2.171 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000248620301 345431132 /nfs/dbraw/zinc/43/11/32/345431132.db2.gz KXEGQYCMRSTQLH-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCOCC1)C(C)(C)C ZINC000381347206 345432880 /nfs/dbraw/zinc/43/28/80/345432880.db2.gz ZKSYLLVCRJUSRG-WCQYABFASA-N 1 0 223.360 2.439 20 30 BEEDRO C=CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000159735721 345507015 /nfs/dbraw/zinc/50/70/15/345507015.db2.gz POHTUFLFOXWEKZ-UHFFFAOYSA-N 1 0 244.338 2.184 20 30 BEEDRO CCC1([NH2+][C@@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000335731193 345507495 /nfs/dbraw/zinc/50/74/95/345507495.db2.gz VYTHZLBWPJOTSK-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(C)C1=O ZINC000449180207 201830272 /nfs/dbraw/zinc/83/02/72/201830272.db2.gz YVEWSJFNNQZLIJ-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000090033956 345562901 /nfs/dbraw/zinc/56/29/01/345562901.db2.gz YRSILHHLSKFZPW-RYUDHWBXSA-N 1 0 248.374 2.346 20 30 BEEDRO CCC[N@@H+]1CC[C@H](CNc2cnccc2C#N)C1 ZINC000091457393 345593128 /nfs/dbraw/zinc/59/31/28/345593128.db2.gz ZOCVJEOWRSFVFU-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)CC(=O)NC(C)C ZINC000091507820 345595640 /nfs/dbraw/zinc/59/56/40/345595640.db2.gz VSFOGCRSMHNFIB-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000091575603 345598691 /nfs/dbraw/zinc/59/86/91/345598691.db2.gz HGLMUAORMLOGON-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cnccc2C#N)C1 ZINC000091733656 345604218 /nfs/dbraw/zinc/60/42/18/345604218.db2.gz VZLVGMFEMVUCIN-QWHCGFSZSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCOc1ccc(CN2CC[NH2+][C@@H](C)C2)cc1 ZINC000092454745 345620301 /nfs/dbraw/zinc/62/03/01/345620301.db2.gz HVMXROSIVZAQKG-ZDUSSCGKSA-N 1 0 246.354 2.045 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000082668615 345664671 /nfs/dbraw/zinc/66/46/71/345664671.db2.gz GCQRWGLIGNZMAQ-MFKMUULPSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000082668558 345664674 /nfs/dbraw/zinc/66/46/74/345664674.db2.gz QUZOKPZSOZTFJB-QWRGUYRKSA-N 1 0 217.316 2.477 20 30 BEEDRO COCC[N@H+](CCC#N)[C@@H]1CC[C@@H](C)C1 ZINC000093099879 345656882 /nfs/dbraw/zinc/65/68/82/345656882.db2.gz XDQKWITZWFNEQU-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO COCc1cc(C#N)ccc1N[C@@H](C)C[NH+](C)C ZINC000603375558 349936872 /nfs/dbraw/zinc/93/68/72/349936872.db2.gz HQILIFRWAFKQGU-NSHDSACASA-N 1 0 247.342 2.067 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)CC(C)(C)O ZINC000093414542 345670076 /nfs/dbraw/zinc/67/00/76/345670076.db2.gz ITXLUIFTCRXKLC-UHFFFAOYSA-N 1 0 249.354 2.454 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cnccc1C#N ZINC000094135231 345680314 /nfs/dbraw/zinc/68/03/14/345680314.db2.gz FSZSFSZXVQJKNJ-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCCOC1 ZINC000126784414 535007339 /nfs/dbraw/zinc/00/73/39/535007339.db2.gz ZTXBHHARYBVRSW-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000174415000 535007372 /nfs/dbraw/zinc/00/73/72/535007372.db2.gz ZFFBQSYLTZVDTF-GFCCVEGCSA-N 1 0 246.358 2.187 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCOC1(C)C ZINC000336899961 535006411 /nfs/dbraw/zinc/00/64/11/535006411.db2.gz RJZKBAGLJPCRDV-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000160002633 345783084 /nfs/dbraw/zinc/78/30/84/345783084.db2.gz FCKYIFCBNRZACS-NSHDSACASA-N 1 0 220.341 2.346 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)o1 ZINC000381413109 345822418 /nfs/dbraw/zinc/82/24/18/345822418.db2.gz VEPYDLQDAALJCN-NEPJUHHUSA-N 1 0 218.300 2.412 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@@H]1CC=CCC1 ZINC000320421915 323096404 /nfs/dbraw/zinc/09/64/04/323096404.db2.gz FZXHZEMNXYNBJV-CHWSQXEVSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000449294384 201861039 /nfs/dbraw/zinc/86/10/39/201861039.db2.gz YWAXBHXNXXJAMD-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO CC1(C#N)CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000400947313 345933291 /nfs/dbraw/zinc/93/32/91/345933291.db2.gz VVFKVFUXYAGPRT-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000585727217 345982399 /nfs/dbraw/zinc/98/23/99/345982399.db2.gz PZAIZDGAEKWPNM-UPJWGTAASA-N 1 0 224.348 2.019 20 30 BEEDRO CC[NH+](CC)CCS[C@H](C#N)C1CC1 ZINC000601075746 346013801 /nfs/dbraw/zinc/01/38/01/346013801.db2.gz AXVPIGYBFWXAJS-LLVKDONJSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635770266 346059377 /nfs/dbraw/zinc/05/93/77/346059377.db2.gz LQIJSTHGOBWFIG-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635770075 346059456 /nfs/dbraw/zinc/05/94/56/346059456.db2.gz JTZLVXRAUUXNIK-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@@H](C)CCO)ccc1C#N ZINC000449357830 201880994 /nfs/dbraw/zinc/88/09/94/201880994.db2.gz MCEUHWAORGFTBB-GFCCVEGCSA-N 1 0 246.354 2.365 20 30 BEEDRO C#CC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289359096 346088025 /nfs/dbraw/zinc/08/80/25/346088025.db2.gz NZCQDDLQBVELHU-NSHDSACASA-N 1 0 223.341 2.031 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1ccc2[nH]c(=O)oc2c1 ZINC000586793046 346111573 /nfs/dbraw/zinc/11/15/73/346111573.db2.gz XPWRQUAVIIUKKP-SECBINFHSA-N 1 0 245.282 2.488 20 30 BEEDRO CC(C)n1ncnc1C[NH2+]CC(C)(C)CCC#N ZINC000601124504 346150579 /nfs/dbraw/zinc/15/05/79/346150579.db2.gz HBWLKRHFZOVVHW-UHFFFAOYSA-N 1 0 249.362 2.279 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2n[nH]cc21 ZINC000628240926 346203823 /nfs/dbraw/zinc/20/38/23/346203823.db2.gz ADHLBVFSQNNFEC-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628231514 346183910 /nfs/dbraw/zinc/18/39/10/346183910.db2.gz RCEYZKCCCORHRE-UWVGGRQHSA-N 1 0 233.302 2.194 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC1CC(F)(F)C1 ZINC000394760502 323108198 /nfs/dbraw/zinc/10/81/98/323108198.db2.gz DXTXPFDBLCVWLK-MRVPVSSYSA-N 1 0 202.248 2.123 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000574903605 346218883 /nfs/dbraw/zinc/21/88/83/346218883.db2.gz VSINDZRXMAYOSB-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1csc(C)c1 ZINC000294665760 346225535 /nfs/dbraw/zinc/22/55/35/346225535.db2.gz ACVKDHPHZXDLRH-NSHDSACASA-N 1 0 211.330 2.083 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000280193568 346305280 /nfs/dbraw/zinc/30/52/80/346305280.db2.gz HGJHUNSBNQSZLO-HBNTYKKESA-N 1 0 245.750 2.306 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1c(F)cccc1CC ZINC000641766921 362699264 /nfs/dbraw/zinc/69/92/64/362699264.db2.gz FAZLUPGSZQKSEL-CYBMUJFWSA-N 1 0 249.329 2.252 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cccc2c1CCC2 ZINC000641767354 362700350 /nfs/dbraw/zinc/70/03/50/362700350.db2.gz JIOLGXYADZFZQF-OAHLLOKOSA-N 1 0 243.350 2.039 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000641767848 362702302 /nfs/dbraw/zinc/70/23/02/362702302.db2.gz RKXVIUULDFTZCJ-CQSZACIVSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1c(C)cccc1C ZINC000641767620 362702451 /nfs/dbraw/zinc/70/24/51/362702451.db2.gz MUGUDIKOLQNDHO-AWEZNQCLSA-N 1 0 231.339 2.167 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000641769596 362704462 /nfs/dbraw/zinc/70/44/62/362704462.db2.gz VTYKJEYQCHLYNC-VSGCLNPGSA-N 1 0 229.323 2.064 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc2[nH]ccc21 ZINC000641769672 362704676 /nfs/dbraw/zinc/70/46/76/362704676.db2.gz XTSSBVXDNSSGQH-ZDUSSCGKSA-N 1 0 242.322 2.032 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000641768321 362705472 /nfs/dbraw/zinc/70/54/72/362705472.db2.gz ZHIQQTGDPKFFET-MRXNPFEDSA-N 1 0 243.350 2.428 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2sccc21 ZINC000289761381 346342182 /nfs/dbraw/zinc/34/21/82/346342182.db2.gz LRQQMONSFMCBOM-KOLCDFICSA-N 1 0 223.341 2.262 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCCc2sccc21 ZINC000289761378 346342696 /nfs/dbraw/zinc/34/26/96/346342696.db2.gz LRQQMONSFMCBOM-GXSJLCMTSA-N 1 0 223.341 2.262 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccn1CCC(C)C ZINC000641774594 362714586 /nfs/dbraw/zinc/71/45/86/362714586.db2.gz NENHRCONQAKJRK-CYBMUJFWSA-N 1 0 236.359 2.171 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000601147751 346398497 /nfs/dbraw/zinc/39/84/97/346398497.db2.gz XBDWFFUFUBIJPG-YZRBJQDESA-N 1 0 246.301 2.065 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCOC[C@@H]1OC ZINC000449456208 201930037 /nfs/dbraw/zinc/93/00/37/201930037.db2.gz MBXDVPVXNYXLBU-FQUUOJAGSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cn[nH]c1)C1CC1 ZINC000289846511 346390938 /nfs/dbraw/zinc/39/09/38/346390938.db2.gz QEUBPKVNROWRDV-CYBMUJFWSA-N 1 0 219.332 2.287 20 30 BEEDRO Cc1cccc(C[NH+]2CCN(CCC#N)CC2)c1 ZINC000046171291 179077865 /nfs/dbraw/zinc/07/78/65/179077865.db2.gz ZLQXIRDLSKEENQ-UHFFFAOYSA-N 1 0 243.354 2.026 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000248876075 346443998 /nfs/dbraw/zinc/44/39/98/346443998.db2.gz JLDPLUXJQVLGPG-JHJVBQTASA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000580095786 346523844 /nfs/dbraw/zinc/52/38/44/346523844.db2.gz HPHHNRLOOGDBFV-LBPRGKRZSA-N 1 0 241.379 2.015 20 30 BEEDRO C=C[C@@H](CC(=O)N(C)[C@H](C)C[NH3+])c1ccccc1 ZINC000580079124 346512513 /nfs/dbraw/zinc/51/25/13/346512513.db2.gz SYSNKJFVSYICKE-OLZOCXBDSA-N 1 0 246.354 2.152 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000186699391 346528964 /nfs/dbraw/zinc/52/89/64/346528964.db2.gz WZUIVLHACFWVLN-DUTNFGBUSA-N 1 0 235.371 2.338 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1OC ZINC000186704952 346533334 /nfs/dbraw/zinc/53/33/34/346533334.db2.gz OSAYLFABQWDLKY-TZMCWYRMSA-N 1 0 249.354 2.153 20 30 BEEDRO N#CCC[NH2+]CCCCOc1ccccc1 ZINC000309559802 347101423 /nfs/dbraw/zinc/10/14/23/347101423.db2.gz IWTIYGIPKFSTIU-UHFFFAOYSA-N 1 0 218.300 2.349 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000563619878 323131946 /nfs/dbraw/zinc/13/19/46/323131946.db2.gz CLAGRNXOYLPDKQ-VXGBXAGGSA-N 1 0 222.332 2.322 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000345350566 365859249 /nfs/dbraw/zinc/85/92/49/365859249.db2.gz HWKATLQFBXQOJK-NEPJUHHUSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000563638649 323133290 /nfs/dbraw/zinc/13/32/90/323133290.db2.gz RWIHDGZVGCABOB-STQMWFEESA-N 1 0 210.365 2.273 20 30 BEEDRO CO[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CC[C@H]1C ZINC000589822208 346739639 /nfs/dbraw/zinc/73/96/39/346739639.db2.gz KRAGXVKGGQYQLD-YNEHKIRRSA-N 1 0 224.348 2.283 20 30 BEEDRO Cc1ccc(CCC[NH2+]CCCC#N)cn1 ZINC000309612810 347123351 /nfs/dbraw/zinc/12/33/51/347123351.db2.gz ASBNJHZZHKFPPW-UHFFFAOYSA-N 1 0 217.316 2.216 20 30 BEEDRO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCCO1 ZINC000590161661 346784472 /nfs/dbraw/zinc/78/44/72/346784472.db2.gz BWALVPMWPNQSLK-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(CCOC3)CC2)C1 ZINC000590169333 346787094 /nfs/dbraw/zinc/78/70/94/346787094.db2.gz QFYOPEBHHIBSOT-STQMWFEESA-N 1 0 234.343 2.181 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C(F)F)C2)C1 ZINC000590169334 346787366 /nfs/dbraw/zinc/78/73/66/346787366.db2.gz QIKJIXMPECRDSL-BBBLOLIVSA-N 1 0 214.259 2.266 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC([C@@H]3CCOC3)CC2)C1 ZINC000590173400 346787997 /nfs/dbraw/zinc/78/79/97/346787997.db2.gz HWBBFFFJPKHGLM-YUELXQCFSA-N 1 0 248.370 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C=CCCCCC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC000300226175 136731345 /nfs/dbraw/zinc/73/13/45/136731345.db2.gz WXOGLWGHDXJQMJ-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364246977 347345804 /nfs/dbraw/zinc/34/58/04/347345804.db2.gz WOGWQVMGWJJQFI-UHFFFAOYSA-N 1 0 239.359 2.224 20 30 BEEDRO C=CC[N@H+](CCOCC1CCC1)C1CC1 ZINC000419221331 192105835 /nfs/dbraw/zinc/10/58/35/192105835.db2.gz ANKPVBOGXKWQFJ-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192825159 347385282 /nfs/dbraw/zinc/38/52/82/347385282.db2.gz CAWQIIJEKJDHMZ-KGYLQXTDSA-N 1 0 246.358 2.462 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCCCO)c1 ZINC000193020366 347388733 /nfs/dbraw/zinc/38/87/33/347388733.db2.gz FNZOHQNUKVNAGU-UHFFFAOYSA-N 1 0 249.358 2.193 20 30 BEEDRO C=CCC[N@@H+](C)Cc1nccc(OC)c1OC ZINC000276398413 166258951 /nfs/dbraw/zinc/25/89/51/166258951.db2.gz KBPQCUPEPMCUQH-UHFFFAOYSA-N 1 0 236.315 2.107 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000193261764 347393797 /nfs/dbraw/zinc/39/37/97/347393797.db2.gz ITUNQRXKROVNHX-JIMOISOXSA-N 1 0 249.333 2.384 20 30 BEEDRO N#CCC[C@@H](C#N)CN1CC2(C1)CCCC2 ZINC000364489927 347456125 /nfs/dbraw/zinc/45/61/25/347456125.db2.gz YZFOHNVKKIVYTF-LBPRGKRZSA-N 1 0 217.316 2.306 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000364432130 347422759 /nfs/dbraw/zinc/42/27/59/347422759.db2.gz AQTWHOBTCDRYEP-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(CO)cc1 ZINC000276476025 166259643 /nfs/dbraw/zinc/25/96/43/166259643.db2.gz SDAWLEVDBZKDHD-UHFFFAOYSA-N 1 0 205.301 2.187 20 30 BEEDRO N#CCC[C@H](C#N)CN1CC2(C1)CCCC2 ZINC000364489926 347456440 /nfs/dbraw/zinc/45/64/40/347456440.db2.gz YZFOHNVKKIVYTF-GFCCVEGCSA-N 1 0 217.316 2.306 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000279010402 166259693 /nfs/dbraw/zinc/25/96/93/166259693.db2.gz AEOMYDKWBQDVOC-JTQLQIEISA-N 1 0 221.304 2.060 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccccc1OC(C)C ZINC000195523014 347456904 /nfs/dbraw/zinc/45/69/04/347456904.db2.gz OCSWSWAXKVBRLC-UHFFFAOYSA-N 1 0 247.342 2.064 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000590653272 347483377 /nfs/dbraw/zinc/48/33/77/347483377.db2.gz FWGSNMLFOFFEPT-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000590653270 347483697 /nfs/dbraw/zinc/48/36/97/347483697.db2.gz FWGSNMLFOFFEPT-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000590645595 347484795 /nfs/dbraw/zinc/48/47/95/347484795.db2.gz JOPJRIMTIKZRDO-VNHYZAJKSA-N 1 0 249.402 2.389 20 30 BEEDRO CCc1nn(C)cc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000590656403 347486286 /nfs/dbraw/zinc/48/62/86/347486286.db2.gz OZRJDHNIAPHHMY-AAEUAGOBSA-N 1 0 246.358 2.154 20 30 BEEDRO C=CCCCCN(CCC#N)CCOC ZINC000590698185 347492986 /nfs/dbraw/zinc/49/29/86/347492986.db2.gz CHBLKDFTXKSVDE-UHFFFAOYSA-N 1 0 210.321 2.205 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000364511873 347461485 /nfs/dbraw/zinc/46/14/85/347461485.db2.gz QVNOIAGICQYZON-CYBMUJFWSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000364594527 347463313 /nfs/dbraw/zinc/46/33/13/347463313.db2.gz HVUDRTVAZZLFOO-GFCCVEGCSA-N 1 0 203.285 2.482 20 30 BEEDRO C=CC1CC[NH+](Cc2cccnc2)CC1 ZINC000111258512 347472809 /nfs/dbraw/zinc/47/28/09/347472809.db2.gz VHUUZSZEVFMBCL-UHFFFAOYSA-N 1 0 202.301 2.480 20 30 BEEDRO C=CC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000336500241 347476758 /nfs/dbraw/zinc/47/67/58/347476758.db2.gz DHGWPUNNSSARTC-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000590593145 347477712 /nfs/dbraw/zinc/47/77/12/347477712.db2.gz KZMNIJPVYYKVRN-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@H]1CCCOC1 ZINC000590592937 347477765 /nfs/dbraw/zinc/47/77/65/347477765.db2.gz CZOWKXQCROGISI-QWHCGFSZSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000590596036 347478504 /nfs/dbraw/zinc/47/85/04/347478504.db2.gz MYNFBEOVQPZNSB-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCO[C@@H](C2CC2)C1 ZINC000590594896 347478638 /nfs/dbraw/zinc/47/86/38/347478638.db2.gz JXOITSHMZTUCQO-MRVWCRGKSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CC1CCC1)[C@H](C)CO ZINC000590596035 347478802 /nfs/dbraw/zinc/47/88/02/347478802.db2.gz MYNFBEOVQPZNSB-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000590764486 347529147 /nfs/dbraw/zinc/52/91/47/347529147.db2.gz FGBJUQQRRBJEEA-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@]1(C)C(=O)OC ZINC000590719123 347500757 /nfs/dbraw/zinc/50/07/57/347500757.db2.gz UQVQWEIYFYVKAX-CYBMUJFWSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@]1(C)C(=O)OC ZINC000590719125 347501018 /nfs/dbraw/zinc/50/10/18/347501018.db2.gz UQVQWEIYFYVKAX-ZDUSSCGKSA-N 1 0 225.332 2.370 20 30 BEEDRO CCNC(NC[C@@H](C)c1ccccc1)=[NH+]CC ZINC000066242365 347503230 /nfs/dbraw/zinc/50/32/30/347503230.db2.gz ZWCICMJMFBCQCQ-GFCCVEGCSA-N 1 0 233.359 2.365 20 30 BEEDRO C=CCCN1CCOC[C@@H]1c1nc(C)cs1 ZINC000189244035 166263358 /nfs/dbraw/zinc/26/33/58/166263358.db2.gz QJPPGXIADAFZJL-LLVKDONJSA-N 1 0 238.356 2.401 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000590970507 347597413 /nfs/dbraw/zinc/59/74/13/347597413.db2.gz ZZZNYIZBIXLLPQ-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083286 347616078 /nfs/dbraw/zinc/61/60/78/347616078.db2.gz UJBWXICWIGDUPT-GFCCVEGCSA-N 1 0 205.305 2.096 20 30 BEEDRO Cc1nsc(N[C@@H]2CCC[C@@H]([NH3+])C2)c1C#N ZINC000591435821 347660081 /nfs/dbraw/zinc/66/00/81/347660081.db2.gz QSPZJNHWWCODOK-RKDXNWHRSA-N 1 0 236.344 2.005 20 30 BEEDRO C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570989 347676120 /nfs/dbraw/zinc/67/61/20/347676120.db2.gz PRZDRGOBEHITAW-XUJVJEKNSA-N 1 0 243.354 2.349 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591579962 347677370 /nfs/dbraw/zinc/67/73/70/347677370.db2.gz BMHZGNNVFBQKAS-UKRRQHHQSA-N 1 0 243.354 2.263 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc2c(cc1OC)OCO2 ZINC000343490703 133688573 /nfs/dbraw/zinc/68/85/73/133688573.db2.gz LKHOSCZPSCAAEF-UHFFFAOYSA-N 1 0 249.310 2.432 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000591641452 347682235 /nfs/dbraw/zinc/68/22/35/347682235.db2.gz HGCAGWRUGYFTBS-RNJOBUHISA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000591641437 347682544 /nfs/dbraw/zinc/68/25/44/347682544.db2.gz FDASKFCASZGJMU-LOWDOPEQSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759394 347692048 /nfs/dbraw/zinc/69/20/48/347692048.db2.gz LSJCZBQMZDRXDE-OCCSQVGLSA-N 1 0 246.354 2.290 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCc2ccccc21 ZINC000591735422 347693768 /nfs/dbraw/zinc/69/37/68/347693768.db2.gz VECORSQVFDRTKH-LBPRGKRZSA-N 1 0 200.285 2.220 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000591741412 347694794 /nfs/dbraw/zinc/69/47/94/347694794.db2.gz CUONZOUPJKMBTI-GFCCVEGCSA-N 1 0 214.312 2.295 20 30 BEEDRO CCC(C)(C)[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000590777742 347696703 /nfs/dbraw/zinc/69/67/03/347696703.db2.gz AWYHIONHNVKADC-LBPRGKRZSA-N 1 0 237.391 2.389 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000591845580 347706488 /nfs/dbraw/zinc/70/64/88/347706488.db2.gz PQWFYTUBLUTLDS-CHWSQXEVSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000592374387 347771110 /nfs/dbraw/zinc/77/11/10/347771110.db2.gz DMBXBYTZGCCAEF-GHMZBOCLSA-N 1 0 236.315 2.038 20 30 BEEDRO CCCC[C@](C)(CO)[NH2+]Cc1ccc(C#N)o1 ZINC000592374139 347771272 /nfs/dbraw/zinc/77/12/72/347771272.db2.gz FVPHPNDKZCRKRO-CYBMUJFWSA-N 1 0 236.315 2.182 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000592374390 347771840 /nfs/dbraw/zinc/77/18/40/347771840.db2.gz DMBXBYTZGCCAEF-WDEREUQCSA-N 1 0 236.315 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000592401743 347777269 /nfs/dbraw/zinc/77/72/69/347777269.db2.gz ZXJVDKIMVFRVAQ-NJMOYASZSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccncc1C#N ZINC000592071840 347728580 /nfs/dbraw/zinc/72/85/80/347728580.db2.gz SFUFSYLHYWBDND-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCC[C@@H]1CCOC1)C1CC1 ZINC000592088077 347731050 /nfs/dbraw/zinc/73/10/50/347731050.db2.gz UAUMNRXVNFCGOY-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccncc2C#N)C[C@H]1C ZINC000592090439 347731655 /nfs/dbraw/zinc/73/16/55/347731655.db2.gz SXWMMFZQCDUOTR-NWDGAFQWSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccncc1C#N)[C@H]1CCCO1 ZINC000592098990 347733263 /nfs/dbraw/zinc/73/32/63/347733263.db2.gz ITPRTQRVMDILQU-UONOGXRCSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000592114829 347736176 /nfs/dbraw/zinc/73/61/76/347736176.db2.gz YXZKASGLNPYTLX-GWCFXTLKSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592149989 347740687 /nfs/dbraw/zinc/74/06/87/347740687.db2.gz BBVMMSSXJYBRSS-DZGCQCFKSA-N 1 0 244.338 2.141 20 30 BEEDRO CC(C)(C)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150249 347741963 /nfs/dbraw/zinc/74/19/63/347741963.db2.gz BNAGUFMTHTVVOT-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO N#CCCCCSCC1CC[NH2+]CC1 ZINC000592174356 347758548 /nfs/dbraw/zinc/75/85/48/347758548.db2.gz KDXMFVROCBNLRB-UHFFFAOYSA-N 1 0 212.362 2.413 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592173601 347758613 /nfs/dbraw/zinc/75/86/13/347758613.db2.gz XZZZKRFULMNDMO-LOWDOPEQSA-N 1 0 241.400 2.287 20 30 BEEDRO C[NH2+]CCS[C@@H](C#N)Cc1ccc(C)cc1 ZINC000592177429 347759058 /nfs/dbraw/zinc/75/90/58/347759058.db2.gz RBJMHBYXRLNGCE-CYBMUJFWSA-N 1 0 234.368 2.382 20 30 BEEDRO C[C@H]1CC2(C[N@@H+]1CC1(C#N)CC1)CCOCC2 ZINC000592183562 347760048 /nfs/dbraw/zinc/76/00/48/347760048.db2.gz KEKYEEAMGCHCGE-LBPRGKRZSA-N 1 0 234.343 2.181 20 30 BEEDRO N#CCC[C@@H](C#N)C[N@@H+]1CCC12CCCC2 ZINC000592999955 347839829 /nfs/dbraw/zinc/83/98/29/347839829.db2.gz HQIGBNNQOSTEBQ-LBPRGKRZSA-N 1 0 217.316 2.448 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCSCC#N)[C@@H](C)CO1 ZINC000593063382 347848942 /nfs/dbraw/zinc/84/89/42/347848942.db2.gz MGIDLZRQFMDKDQ-NWDGAFQWSA-N 1 0 242.388 2.133 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccncc1C#N ZINC000593068244 347850125 /nfs/dbraw/zinc/85/01/25/347850125.db2.gz APCLRTXXVXLYSD-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[N@H+](CCCSCC#N)[C@@H]1CCCOC1 ZINC000593067835 347850466 /nfs/dbraw/zinc/85/04/66/347850466.db2.gz LPNXVNIMRMEAHR-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO C[C@@H](CO)C1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000593080749 347850710 /nfs/dbraw/zinc/85/07/10/347850710.db2.gz DDJBYFYJHLPUAF-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC#N)C2(CCC2)CO1 ZINC000593094319 347853743 /nfs/dbraw/zinc/85/37/43/347853743.db2.gz ZRWIRLOQMPLLAS-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO C[C@H](CCO)[N@H+](C)CCCCC(C)(C)C#N ZINC000593107329 347859939 /nfs/dbraw/zinc/85/99/39/347859939.db2.gz CPASIKVAWIJSRW-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO N#CCc1ccc(C2=CC[NH2+]CC2)s1 ZINC000592989380 347837703 /nfs/dbraw/zinc/83/77/03/347837703.db2.gz UMIWDKUFWZRMNG-UHFFFAOYSA-N 1 0 204.298 2.191 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCO[C@H](CC)C1)C(C)C ZINC000390678184 259398031 /nfs/dbraw/zinc/39/80/31/259398031.db2.gz YMLQZMZPTFZPRV-MCIONIFRSA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@H](CCC#N)N(C)CC[NH+]1CCCCC1 ZINC000593113047 347861800 /nfs/dbraw/zinc/86/18/00/347861800.db2.gz WEGRQEJAODPQBQ-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCC[C@H](O)CN1Cc2cccc(C#N)c2C1 ZINC000593119610 347862468 /nfs/dbraw/zinc/86/24/68/347862468.db2.gz CIJDJIVYEIDRFB-AWEZNQCLSA-N 1 0 242.322 2.201 20 30 BEEDRO CC[C@@H](C#N)C(=O)Nc1ccccc1C[NH+](C)C ZINC000593403578 347884128 /nfs/dbraw/zinc/88/41/28/347884128.db2.gz JNQMRZMMWAMXLY-NSHDSACASA-N 1 0 245.326 2.236 20 30 BEEDRO CC(C)C[N@H+](C)CCCNc1ccnc(C#N)c1 ZINC000593481128 347896081 /nfs/dbraw/zinc/89/60/81/347896081.db2.gz WTLDQFZLFOQRDI-UHFFFAOYSA-N 1 0 246.358 2.343 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000593681707 347932280 /nfs/dbraw/zinc/93/22/80/347932280.db2.gz HHYUFHKHOJVKGX-RTXFEEFZSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([N@@H+](C)[C@H](C)C[S@](C)=O)C1 ZINC000593614927 347915389 /nfs/dbraw/zinc/91/53/89/347915389.db2.gz IHYIKQWTMMVKGU-FOCJUVANSA-N 1 0 243.416 2.430 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)CSC)C1 ZINC000593602692 347919130 /nfs/dbraw/zinc/91/91/30/347919130.db2.gz PRJOMORQJQKRHT-UPJWGTAASA-N 1 0 243.416 2.435 20 30 BEEDRO C[C@H](CCn1cccn1)[NH2+]CC1(C#N)CCCC1 ZINC000593653414 347921478 /nfs/dbraw/zinc/92/14/78/347921478.db2.gz KJUJRJLQQVYJNA-CYBMUJFWSA-N 1 0 246.358 2.335 20 30 BEEDRO N#CC1(CNC2CC[NH+](C3CC3)CC2)CCCC1 ZINC000593654512 347922056 /nfs/dbraw/zinc/92/20/56/347922056.db2.gz FGVDIQBZEHIGOX-UHFFFAOYSA-N 1 0 247.386 2.287 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC3(CC3)CC2)nc1 ZINC000593968533 347974520 /nfs/dbraw/zinc/97/45/20/347974520.db2.gz GIHVCEZEIZDZED-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CCC(C)C ZINC000594006903 347984211 /nfs/dbraw/zinc/98/42/11/347984211.db2.gz ZBVHUKJRTFKKJW-NEPJUHHUSA-N 1 0 212.337 2.065 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCOC(C)(C)C ZINC000594009017 347984877 /nfs/dbraw/zinc/98/48/77/347984877.db2.gz YLSDGESWQPKXSQ-LLVKDONJSA-N 1 0 212.337 2.473 20 30 BEEDRO C[C@H](O)CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033286 347993431 /nfs/dbraw/zinc/99/34/31/347993431.db2.gz MGGRWFGPCRTIBB-LBPRGKRZSA-N 1 0 244.338 2.298 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449547333 201962987 /nfs/dbraw/zinc/96/29/87/201962987.db2.gz HVAMTJCFDTXDIY-XQHKEYJVSA-N 1 0 220.316 2.002 20 30 BEEDRO C[C@H](O)C[N@H+](Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000594063576 347997402 /nfs/dbraw/zinc/99/74/02/347997402.db2.gz ILQJFXOOIXJVHU-JTQLQIEISA-N 1 0 248.301 2.043 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000594496079 348063172 /nfs/dbraw/zinc/06/31/72/348063172.db2.gz ZIKNBSATGAOMTI-NSHDSACASA-N 1 0 218.304 2.001 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000594500982 348064034 /nfs/dbraw/zinc/06/40/34/348064034.db2.gz DDKSLYKFYSSWBG-NSHDSACASA-N 1 0 230.315 2.001 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000594505263 348065044 /nfs/dbraw/zinc/06/50/44/348065044.db2.gz SFACENYFCPYJCJ-UHFFFAOYSA-N 1 0 244.338 2.102 20 30 BEEDRO Cc1cnc(CC[NH2+][C@H](C)CC#N)c(C)c1 ZINC000594536885 348065527 /nfs/dbraw/zinc/06/55/27/348065527.db2.gz JMVITHQHDIHDNC-GFCCVEGCSA-N 1 0 217.316 2.133 20 30 BEEDRO CC(C)C[C@@H]([NH3+])CN1Cc2ccc(C#N)cc2C1 ZINC000594581042 348076394 /nfs/dbraw/zinc/07/63/94/348076394.db2.gz FXRASBJNJMKMIX-OAHLLOKOSA-N 1 0 243.354 2.247 20 30 BEEDRO CCC[C@H](C)N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426861 348043805 /nfs/dbraw/zinc/04/38/05/348043805.db2.gz GAELMXWMRDRYFH-RYUDHWBXSA-N 1 0 239.363 2.045 20 30 BEEDRO N#CCCCCC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000594435629 348046686 /nfs/dbraw/zinc/04/66/86/348046686.db2.gz HYHYLXCFUVLFPV-UHFFFAOYSA-N 1 0 243.310 2.312 20 30 BEEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)c1ccccc1 ZINC000594426644 348053171 /nfs/dbraw/zinc/05/31/71/348053171.db2.gz QEVMCHPVGABTFC-ZDUSSCGKSA-N 1 0 245.326 2.061 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000594514539 348061654 /nfs/dbraw/zinc/06/16/54/348061654.db2.gz KQSQMECQALHGTB-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@]1(CC[NH2+]C[C@@H](C#N)CCC#N)CC1(F)F ZINC000594726495 348108185 /nfs/dbraw/zinc/10/81/85/348108185.db2.gz MBUPBMLWHCSMNF-MNOVXSKESA-N 1 0 241.285 2.455 20 30 BEEDRO C[C@@]1(C[NH2+]C[C@H](C#N)CCC#N)CC1(F)F ZINC000594724683 348108446 /nfs/dbraw/zinc/10/84/46/348108446.db2.gz FXYBNCIFWKSMTL-UWVGGRQHSA-N 1 0 227.258 2.065 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594732197 348108902 /nfs/dbraw/zinc/10/89/02/348108902.db2.gz VCSSWOGALOJTNT-MQYQWHSLSA-N 1 0 231.343 2.456 20 30 BEEDRO N#CC1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCCCC1 ZINC000594740557 348111086 /nfs/dbraw/zinc/11/10/86/348111086.db2.gz YWRGWRLEUVAHQR-QWHCGFSZSA-N 1 0 235.375 2.320 20 30 BEEDRO C=C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000594877794 348118238 /nfs/dbraw/zinc/11/82/38/348118238.db2.gz DQZZDIIIPZJJIV-ZDUSSCGKSA-N 1 0 245.322 2.478 20 30 BEEDRO COC[C@H](C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594612146 348083356 /nfs/dbraw/zinc/08/33/56/348083356.db2.gz MAJFSVJIMILRCV-LLVKDONJSA-N 1 0 230.311 2.156 20 30 BEEDRO C[NH2+][C@@H](C)c1cn(CC2(C#N)CCCCC2)nn1 ZINC000594657405 348093267 /nfs/dbraw/zinc/09/32/67/348093267.db2.gz AIPNLSMMCNYHOE-NSHDSACASA-N 1 0 247.346 2.033 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000595048389 348180008 /nfs/dbraw/zinc/18/00/08/348180008.db2.gz FFFJLIDOJKPZDJ-LLVKDONJSA-N 1 0 230.315 2.001 20 30 BEEDRO Cc1ncc(C[NH2+]CC2CCC(C#N)CC2)n1C ZINC000594937583 348141826 /nfs/dbraw/zinc/14/18/26/348141826.db2.gz RAALUZOXPCAHEU-UHFFFAOYSA-N 1 0 246.358 2.148 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000594938953 348142395 /nfs/dbraw/zinc/14/23/95/348142395.db2.gz XVWJMJWZIYVGHD-PQAZSJQKSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594938939 348142595 /nfs/dbraw/zinc/14/25/95/348142595.db2.gz XQDGWHCKVRNVFE-NOOOWODRSA-N 1 0 225.332 2.128 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)CO1 ZINC000594952807 348147990 /nfs/dbraw/zinc/14/79/90/348147990.db2.gz DFTXTCIKPSSJJD-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CCc2ccc(C#N)cc2)CO1 ZINC000594955405 348149151 /nfs/dbraw/zinc/14/91/51/348149151.db2.gz OBAMCPIKOOXGLK-LSDHHAIUSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000594960851 348151037 /nfs/dbraw/zinc/15/10/37/348151037.db2.gz XQYRONPXYVGHGY-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO COC[C@H](C)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594924036 348156867 /nfs/dbraw/zinc/15/68/67/348156867.db2.gz LDPDFRJPTGSNRJ-LBPRGKRZSA-N 1 0 244.338 2.366 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000594970347 348162140 /nfs/dbraw/zinc/16/21/40/348162140.db2.gz YTLJBTIHCALGTQ-JOCQHMNTSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H]1OCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981238 348164223 /nfs/dbraw/zinc/16/42/23/348164223.db2.gz LMCWMGNKOLJELX-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2COC3(CCC3)C2)C1 ZINC000595043622 348178829 /nfs/dbraw/zinc/17/88/29/348178829.db2.gz XEOCRQANXSFLMG-RWMBFGLXSA-N 1 0 234.343 2.370 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCCCC2)CO1 ZINC000594982013 348164920 /nfs/dbraw/zinc/16/49/20/348164920.db2.gz WTPLFSZWAJFLGK-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000595043621 348178889 /nfs/dbraw/zinc/17/88/89/348178889.db2.gz XEOCRQANXSFLMG-AVGNSLFASA-N 1 0 234.343 2.370 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000594990461 348167153 /nfs/dbraw/zinc/16/71/53/348167153.db2.gz YZYRXZKUHVKIPX-RYUDHWBXSA-N 1 0 236.359 2.209 20 30 BEEDRO COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCC#N ZINC000595032579 348175349 /nfs/dbraw/zinc/17/53/49/348175349.db2.gz NKAZBRXGMMBUEI-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCCC#N ZINC000595032580 348175363 /nfs/dbraw/zinc/17/53/63/348175363.db2.gz NKAZBRXGMMBUEI-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO CCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595296762 348216308 /nfs/dbraw/zinc/21/63/08/348216308.db2.gz JIJZOFIZJVBBCH-UHFFFAOYSA-N 1 0 202.301 2.443 20 30 BEEDRO CO[C@H](C[N@H+](CCC#N)CC1CC1)C1CCC1 ZINC000595335791 348220680 /nfs/dbraw/zinc/22/06/80/348220680.db2.gz XOADLSZDAAZMFL-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595305985 348222695 /nfs/dbraw/zinc/22/26/95/348222695.db2.gz FLXUVYZSTFVBDH-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO COC1CC(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595050218 348180611 /nfs/dbraw/zinc/18/06/11/348180611.db2.gz RIKGMSCVFZPDHC-YIFLHPOLSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000595057814 348182908 /nfs/dbraw/zinc/18/29/08/348182908.db2.gz XMCKAEBVCCQWSJ-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000595057815 348183027 /nfs/dbraw/zinc/18/30/27/348183027.db2.gz XMCKAEBVCCQWSJ-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CCCSCC[NH2+]C1CC(OCC)C1 ZINC000595059204 348183937 /nfs/dbraw/zinc/18/39/37/348183937.db2.gz MMMRMIRJAWWMDW-UHFFFAOYSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCn2ccnc21 ZINC000595060203 348184480 /nfs/dbraw/zinc/18/44/80/348184480.db2.gz UJKYDDSWPPSVOL-LLVKDONJSA-N 1 0 237.372 2.227 20 30 BEEDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc(C#N)c1 ZINC000595070397 348187976 /nfs/dbraw/zinc/18/79/76/348187976.db2.gz UOMVPTPAPOOPDU-RYUDHWBXSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090525 348190825 /nfs/dbraw/zinc/19/08/25/348190825.db2.gz HDVMYRDECHHVGJ-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CCOC[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091248 348192103 /nfs/dbraw/zinc/19/21/03/348192103.db2.gz OPNFMICPSFKBRK-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092089 348192632 /nfs/dbraw/zinc/19/26/32/348192632.db2.gz WEYJXQAIOAOHLE-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092086 348192946 /nfs/dbraw/zinc/19/29/46/348192946.db2.gz WEYJXQAIOAOHLE-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2CCC(O)CC2)C1 ZINC000595095293 348193535 /nfs/dbraw/zinc/19/35/35/348193535.db2.gz VSEWKVHYSCBAFF-QPPOZKHWSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2CCC(O)CC2)C1 ZINC000595095292 348193577 /nfs/dbraw/zinc/19/35/77/348193577.db2.gz VSEWKVHYSCBAFF-DKNRTOFZSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1nccn1C ZINC000595105998 348196563 /nfs/dbraw/zinc/19/65/63/348196563.db2.gz GLGYLVLBBXBEII-QJPTWQEYSA-N 1 0 232.331 2.153 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC000595105876 348196709 /nfs/dbraw/zinc/19/67/09/348196709.db2.gz ZQWNWHJBQVGPTA-YDHLFZDLSA-N 1 0 242.322 2.049 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000595106086 348196832 /nfs/dbraw/zinc/19/68/32/348196832.db2.gz HRIBKWQCEBPEPE-GDLCADMTSA-N 1 0 230.311 2.386 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000595107622 348197749 /nfs/dbraw/zinc/19/77/49/348197749.db2.gz OUCNWEYWLSODHY-XQQFMLRXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC000122423146 490139150 /nfs/dbraw/zinc/13/91/50/490139150.db2.gz YJFFCBIWIPSACS-NEPJUHHUSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)CN1CCC([NH2+]Cc2cccn2C)CC1 ZINC000119128040 348199584 /nfs/dbraw/zinc/19/95/84/348199584.db2.gz 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ZINC000595841915 348377239 /nfs/dbraw/zinc/37/72/39/348377239.db2.gz PLMLWTGCIUBYKL-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@](C)(C#N)C2)C1 ZINC000595842957 348380180 /nfs/dbraw/zinc/38/01/80/348380180.db2.gz WRKFGZDSMMRHQA-RBSFLKMASA-N 1 0 249.402 2.200 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCCC2CCOCC2)C1 ZINC000595843177 348380211 /nfs/dbraw/zinc/38/02/11/348380211.db2.gz IWKVIBQGSQLNES-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@](C)(C#N)C2)C1 ZINC000595842955 348380269 /nfs/dbraw/zinc/38/02/69/348380269.db2.gz WRKFGZDSMMRHQA-KFWWJZLASA-N 1 0 249.402 2.200 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CCCc2ccncc2)C1 ZINC000595844078 348380932 /nfs/dbraw/zinc/38/09/32/348380932.db2.gz QFMQFPDPOBERON-CQSZACIVSA-N 1 0 229.327 2.250 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000595844550 348382188 /nfs/dbraw/zinc/38/21/88/348382188.db2.gz UTOSAMDHRBTISJ-ZIAGYGMSSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000595844784 348354647 /nfs/dbraw/zinc/35/46/47/348354647.db2.gz VRAKEJMREODBSQ-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC000595844874 348354726 /nfs/dbraw/zinc/35/47/26/348354726.db2.gz WRCRIAJPBZUHNO-KBPBESRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CCN(C[C@H](O)CCC(C)C)[C@H](C)C#N ZINC000595820094 348360749 /nfs/dbraw/zinc/36/07/49/348360749.db2.gz JEQKGKKDMKRMFC-VXGBXAGGSA-N 1 0 212.337 2.017 20 30 BEEDRO CCN(C[C@@H](O)CCC(C)C)[C@H](C)C#N ZINC000595820091 348361072 /nfs/dbraw/zinc/36/10/72/348361072.db2.gz JEQKGKKDMKRMFC-NEPJUHHUSA-N 1 0 212.337 2.017 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000264480139 187397510 /nfs/dbraw/zinc/39/75/10/187397510.db2.gz PVJLKTZVWIBYJH-HNNXBMFYSA-N 1 0 231.339 2.242 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OC)c(F)c1 ZINC000263750701 187397799 /nfs/dbraw/zinc/39/77/99/187397799.db2.gz GOAFFINUBDSDGB-UHFFFAOYSA-N 1 0 221.275 2.289 20 30 BEEDRO C=CCC[NH+]1CCC(OC[C@@H]2CCOC2)CC1 ZINC000535577221 323186185 /nfs/dbraw/zinc/18/61/85/323186185.db2.gz UALVKZPBMWNYNV-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO CC12CC(C1)C[N@@H+]2CCOc1ccccc1C#N ZINC000595916414 348400480 /nfs/dbraw/zinc/40/04/80/348400480.db2.gz SJXPXDVGSOXYOK-UHFFFAOYSA-N 1 0 242.322 2.421 20 30 BEEDRO CC1(C)[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1(F)F ZINC000596047370 348429327 /nfs/dbraw/zinc/42/93/27/348429327.db2.gz VFMAPQXZMFSXNC-VHSXEESVSA-N 1 0 241.285 2.311 20 30 BEEDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000596050205 348432580 /nfs/dbraw/zinc/43/25/80/348432580.db2.gz JAGFKUXSVPWTCP-AVGNSLFASA-N 1 0 249.358 2.366 20 30 BEEDRO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)[C@@H](C)[C@H]1C ZINC000419395656 192130789 /nfs/dbraw/zinc/13/07/89/192130789.db2.gz RAUWBRXQACGSMX-VOAKCMCISA-N 1 0 219.332 2.406 20 30 BEEDRO C[C@H]([NH2+]CCOCCF)c1ccc(C#N)cc1 ZINC000596052148 348433584 /nfs/dbraw/zinc/43/35/84/348433584.db2.gz SZQKYCPAJJEOIU-NSHDSACASA-N 1 0 236.290 2.195 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1COc1cccnc1C ZINC000419381013 192132824 /nfs/dbraw/zinc/13/28/24/192132824.db2.gz BZDIOPLAJCSZGU-AWEZNQCLSA-N 1 0 244.338 2.257 20 30 BEEDRO C=CCCN(C)C(C)(C)C[NH+]1CCCC1 ZINC000419370729 192129034 /nfs/dbraw/zinc/12/90/34/192129034.db2.gz HRZCARZSNVIKAO-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]CCOCCF)CC2 ZINC000596092105 348444269 /nfs/dbraw/zinc/44/42/69/348444269.db2.gz AOJQGZDFZINAEG-CQSZACIVSA-N 1 0 248.301 2.121 20 30 BEEDRO CCn1nccc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000596096009 348444834 /nfs/dbraw/zinc/44/48/34/348444834.db2.gz TWPFWMVOICRFNN-NEPJUHHUSA-N 1 0 232.331 2.075 20 30 BEEDRO N#CC1(CNc2[nH+]ccc3[nH]ccc32)CC1 ZINC000596216803 348468672 /nfs/dbraw/zinc/46/86/72/348468672.db2.gz SNBNYVSQBLBPOK-UHFFFAOYSA-N 1 0 212.256 2.279 20 30 BEEDRO Cc1ccc(C#N)nc1NCC1([NH+](C)C)CCC1 ZINC000596222825 348470291 /nfs/dbraw/zinc/47/02/91/348470291.db2.gz NJZYEVPQCFFAFU-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1ccnc(NCC[C@H]2CCC[NH2+]C2)c1C#N ZINC000135200949 179445656 /nfs/dbraw/zinc/44/56/56/179445656.db2.gz FGIUWOGEGDRQOT-GFCCVEGCSA-N 1 0 244.342 2.063 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccccc1C(C)=O ZINC000267352260 187398626 /nfs/dbraw/zinc/39/86/26/187398626.db2.gz VBENUUYIXQBZQD-UHFFFAOYSA-N 1 0 245.322 2.223 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)O)cc1 ZINC000268931831 187399054 /nfs/dbraw/zinc/39/90/54/187399054.db2.gz ZRIWJJGJVYTEMJ-STQMWFEESA-N 1 0 247.338 2.120 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000596650051 348605026 /nfs/dbraw/zinc/60/50/26/348605026.db2.gz HXUVJXAUYJAXBH-RISCZKNCSA-N 1 0 229.327 2.441 20 30 BEEDRO N#CC1(CN[C@@H]2CCC[C@H]2C[NH3+])CCCCC1 ZINC000596653884 348607592 /nfs/dbraw/zinc/60/75/92/348607592.db2.gz XOQHZNZAWXILEL-QWHCGFSZSA-N 1 0 235.375 2.177 20 30 BEEDRO N#CC1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000596654259 348607695 /nfs/dbraw/zinc/60/76/95/348607695.db2.gz ZKTRGLMUOQUOIY-PBWFPOADSA-N 1 0 247.386 2.333 20 30 BEEDRO 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C[C@H]1C[C@H]1C[NH2+]CCc1ccc(C#N)cc1 ZINC000597179016 348681024 /nfs/dbraw/zinc/68/10/24/348681024.db2.gz RUOSZAZDBAJNQV-FZMZJTMJSA-N 1 0 214.312 2.346 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000597185302 348683164 /nfs/dbraw/zinc/68/31/64/348683164.db2.gz WTDVZMZVGINZHD-UHFFFAOYSA-N 1 0 223.272 2.040 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597242413 348686768 /nfs/dbraw/zinc/68/67/68/348686768.db2.gz KLTJPYSPVXJTNL-IJLUTSLNSA-N 1 0 225.332 2.272 20 30 BEEDRO N#Cc1csc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1 ZINC000597229015 348696850 /nfs/dbraw/zinc/69/68/50/348696850.db2.gz GCPIBUMOQRMEJZ-NWDGAFQWSA-N 1 0 248.351 2.088 20 30 BEEDRO Cc1occc1CN1CC[C@@](C)(C#N)C1 ZINC000597230019 348697862 /nfs/dbraw/zinc/69/78/62/348697862.db2.gz DSLRXXCHNCOWFV-LBPRGKRZSA-N 1 0 204.273 2.324 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2cccc3c2OCO3)C1 ZINC000597230418 348698620 /nfs/dbraw/zinc/69/86/20/348698620.db2.gz RWVWJRBTTSOBKK-CQSZACIVSA-N 1 0 244.294 2.151 20 30 BEEDRO Cc1cnccc1CN1CC[C@@](C)(C#N)C1 ZINC000597232980 348700547 /nfs/dbraw/zinc/70/05/47/348700547.db2.gz ZETZPQHLGZLEFA-ZDUSSCGKSA-N 1 0 215.300 2.126 20 30 BEEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@@]1(C)CO ZINC000597237327 348702117 /nfs/dbraw/zinc/70/21/17/348702117.db2.gz YCYRGQBJDISYHM-OCCSQVGLSA-N 1 0 238.375 2.267 20 30 BEEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)C[C@]1(C)CO ZINC000597237328 348702140 /nfs/dbraw/zinc/70/21/40/348702140.db2.gz YCYRGQBJDISYHM-TZMCWYRMSA-N 1 0 238.375 2.267 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCC1CCOCC1 ZINC000308821006 348711212 /nfs/dbraw/zinc/71/12/12/348711212.db2.gz BZTSDRVLMRKZNX-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](C#N)CNCc1scnc1C1CC1 ZINC000308835873 348771315 /nfs/dbraw/zinc/77/13/15/348771315.db2.gz ICQHEOBGSZLOFR-QMMMGPOBSA-N 1 0 221.329 2.270 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCC)cc1 ZINC000184283765 348802072 /nfs/dbraw/zinc/80/20/72/348802072.db2.gz KQTCFXRSEVWPKO-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2ccccc2o1 ZINC000184273950 348766496 /nfs/dbraw/zinc/76/64/96/348766496.db2.gz AJVOEKZXTHCZJQ-LBPRGKRZSA-N 1 0 231.295 2.459 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000054180107 348890740 /nfs/dbraw/zinc/89/07/40/348890740.db2.gz VFFXNKXNBUPDAC-NWDGAFQWSA-N 1 0 232.327 2.463 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccnc1 ZINC000598599181 348992652 /nfs/dbraw/zinc/99/26/52/348992652.db2.gz HHRSSMCLDQJQPR-AAEUAGOBSA-N 1 0 247.342 2.033 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC2(CC2)CC1 ZINC000598599523 348992905 /nfs/dbraw/zinc/99/29/05/348992905.db2.gz OUXIFTNLHSXGAL-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598585785 348994549 /nfs/dbraw/zinc/99/45/49/348994549.db2.gz AQUCDAKPJYTGHI-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585939 348995246 /nfs/dbraw/zinc/99/52/46/348995246.db2.gz BVXWMVLXUNFZIF-ZYHUDNBSSA-N 1 0 224.348 2.017 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Cc1ccc(CN2CCO[C@H](C)[C@@H]2C)cc1C#N ZINC000599322352 349155783 /nfs/dbraw/zinc/15/57/83/349155783.db2.gz ZCZXFIQOWKJUSC-QWHCGFSZSA-N 1 0 244.338 2.476 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1C#N ZINC000599360701 349159987 /nfs/dbraw/zinc/15/99/87/349159987.db2.gz ASEGDHRJTYVOPH-TZMCWYRMSA-N 1 0 244.338 2.381 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CCCC1 ZINC000599363001 349160082 /nfs/dbraw/zinc/16/00/82/349160082.db2.gz NDILMWWMCZJSAV-DGCLKSJQSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1C#N ZINC000599375984 349162558 /nfs/dbraw/zinc/16/25/58/349162558.db2.gz BZWIETVKSGBJAX-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1C#N ZINC000599384638 349164650 /nfs/dbraw/zinc/16/46/50/349164650.db2.gz AOGQFEOLYHPJOM-WFASDCNBSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2COCC2(C)C)cc1C#N ZINC000599435051 349174730 /nfs/dbraw/zinc/17/47/30/349174730.db2.gz PUPDYVAHQDBSAX-AWEZNQCLSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC2(CC(=O)OC)CC2)C1 ZINC000599530391 349209399 /nfs/dbraw/zinc/20/93/99/349209399.db2.gz VVXBHFYSZYWTLP-LBPRGKRZSA-N 1 0 237.343 2.228 20 30 BEEDRO CC1(C)CCC[C@@](CO)([NH2+]CC2(C#N)CC2)C1 ZINC000599597059 349223203 /nfs/dbraw/zinc/22/32/03/349223203.db2.gz TWOOMNYOURIXGT-CQSZACIVSA-N 1 0 236.359 2.211 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1 ZINC000599619399 349229287 /nfs/dbraw/zinc/22/92/87/349229287.db2.gz QZWNWEGDNCIJLR-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCc3c(O)cccc3C2)C1 ZINC000599646763 349240383 /nfs/dbraw/zinc/24/03/83/349240383.db2.gz LMSAMWHWSKRBAE-WCQYABFASA-N 1 0 242.322 2.443 20 30 BEEDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000599673562 349241558 /nfs/dbraw/zinc/24/15/58/349241558.db2.gz UQLWFJYIRJWYDW-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)CCCSCC#N ZINC000599672606 349241643 /nfs/dbraw/zinc/24/16/43/349241643.db2.gz HEIZIVNOOKKNQB-UHFFFAOYSA-N 1 0 244.404 2.116 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000599674052 349242227 /nfs/dbraw/zinc/24/22/27/349242227.db2.gz ZVXKUSPIMOSELD-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000599674050 349242264 /nfs/dbraw/zinc/24/22/64/349242264.db2.gz ZVXKUSPIMOSELD-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)[C@H](C)CCC#N ZINC000599673911 349242364 /nfs/dbraw/zinc/24/23/64/349242364.db2.gz VSSIQBLXMQMKIT-LLVKDONJSA-N 1 0 212.337 2.162 20 30 BEEDRO N#CCc1cccc2c1CC[N@@H+](CCCF)C2 ZINC000599676661 349242772 /nfs/dbraw/zinc/24/27/72/349242772.db2.gz FSPJRPRTCOAKHW-UHFFFAOYSA-N 1 0 232.302 2.470 20 30 BEEDRO C=CCC[NH+]1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000599689147 349244643 /nfs/dbraw/zinc/24/46/43/349244643.db2.gz OECWBMSOFWESCJ-QWRGUYRKSA-N 1 0 225.332 2.225 20 30 BEEDRO COc1ccc([C@@H]([NH2+]CCCC#N)C2CC2)cn1 ZINC000599702588 349249334 /nfs/dbraw/zinc/24/93/34/349249334.db2.gz XCNIGRRHRWAVRL-AWEZNQCLSA-N 1 0 245.326 2.435 20 30 BEEDRO COC[C@H]([NH2+]CCCCC#N)c1ccco1 ZINC000184545070 349261841 /nfs/dbraw/zinc/26/18/41/349261841.db2.gz DEDLQSPLDPRXMR-NSHDSACASA-N 1 0 222.288 2.251 20 30 BEEDRO C[C@@H]([NH2+]C1CSC1)c1cccc(C#N)c1 ZINC000308986803 349267308 /nfs/dbraw/zinc/26/73/08/349267308.db2.gz JZWQCBVVSWCGBB-SECBINFHSA-N 1 0 218.325 2.324 20 30 BEEDRO CO[C@@](C)(C[NH2+]CCCCC#N)C1CC1 ZINC000309024459 349317084 /nfs/dbraw/zinc/31/70/84/349317084.db2.gz XCRNKNGNFLRMKJ-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)(C)C1C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601957836 349400170 /nfs/dbraw/zinc/40/01/70/349400170.db2.gz HWNADVHQKGJANZ-LBPRGKRZSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](O)CSC ZINC000601968076 349405321 /nfs/dbraw/zinc/40/53/21/349405321.db2.gz LRHYUIQBGADMNE-LLVKDONJSA-N 1 0 231.405 2.292 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000601968578 349405476 /nfs/dbraw/zinc/40/54/76/349405476.db2.gz OTVHDLVFGKWFNS-RYUDHWBXSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@H]1SCC ZINC000309050091 349406833 /nfs/dbraw/zinc/40/68/33/349406833.db2.gz QNPVKWHEROMYAM-SDDRHHMPSA-N 1 0 229.389 2.187 20 30 BEEDRO CCC(C)(C)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000601969522 349406907 /nfs/dbraw/zinc/40/69/07/349406907.db2.gz URWMBZMVJVEBHD-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO CC#CCC[N@@H+]1CCCCC[C@H]1CCO ZINC000342062955 538045015 /nfs/dbraw/zinc/04/50/15/538045015.db2.gz NGGACRKAGZXBEF-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(C)CC[NH2+][C@](C)(CO)c1ccccc1 ZINC000164525810 538045484 /nfs/dbraw/zinc/04/54/84/538045484.db2.gz IMZLVDSLKIOQSJ-CQSZACIVSA-N 1 0 219.328 2.450 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000121857150 350014438 /nfs/dbraw/zinc/01/44/38/350014438.db2.gz LAHRDWAJTBZDID-BONVTDFDSA-N 1 0 223.341 2.261 20 30 BEEDRO N#CC1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161301469 349418792 /nfs/dbraw/zinc/41/87/92/349418792.db2.gz KPRQKSHQRIRBOI-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccs1 ZINC000131397125 191012242 /nfs/dbraw/zinc/01/22/42/191012242.db2.gz NLWRCQGCQQTVDD-UHFFFAOYSA-N 1 0 211.330 2.430 20 30 BEEDRO Cc1nc(N[C@@H]2CC[N@@H+](C(C)C)C2)ccc1C#N ZINC000291746652 180024003 /nfs/dbraw/zinc/02/40/03/180024003.db2.gz ZIIYXBUJVRQVIT-CYBMUJFWSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1nc(N[C@H](C)C[N@H+](C)C(C)C)ccc1C#N ZINC000291850624 180024188 /nfs/dbraw/zinc/02/41/88/180024188.db2.gz HFQXCTYUSDDHQI-LLVKDONJSA-N 1 0 246.358 2.402 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)CC(=O)NC ZINC000132009599 191022162 /nfs/dbraw/zinc/02/21/62/191022162.db2.gz HFAZHXAIBBMTMY-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccncn1 ZINC000395911012 323262985 /nfs/dbraw/zinc/26/29/85/323262985.db2.gz OXECAFQMSNJIPC-JTQLQIEISA-N 1 0 205.305 2.339 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccncn1 ZINC000395911013 323262988 /nfs/dbraw/zinc/26/29/88/323262988.db2.gz OXECAFQMSNJIPC-SNVBAGLBSA-N 1 0 205.305 2.339 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1CC(C)(C)CCC#N ZINC000354056853 350253167 /nfs/dbraw/zinc/25/31/67/350253167.db2.gz NSBDNADXJXLYSH-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1nccnc1CC[NH2+]CC(C)(C)CCC#N ZINC000293136451 180273234 /nfs/dbraw/zinc/27/32/34/180273234.db2.gz TYIWAWAHZQYNJT-UHFFFAOYSA-N 1 0 246.358 2.247 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)Nc1cc(C)ccn1 ZINC000605150304 350260566 /nfs/dbraw/zinc/26/05/66/350260566.db2.gz DNFBMCAQDDWFQH-UHFFFAOYSA-N 1 0 247.342 2.227 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000605150568 350261534 /nfs/dbraw/zinc/26/15/34/350261534.db2.gz ADWQNAGWWBEVDJ-CYBMUJFWSA-N 1 0 219.332 2.486 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CSC[C@H]1C ZINC000336642963 350297804 /nfs/dbraw/zinc/29/78/04/350297804.db2.gz DLCRFJQSSTWJNC-NXEZZACHSA-N 1 0 217.403 2.247 20 30 BEEDRO CCC[C@@H](C[NH2+]CC1(CC#N)CC1)OC ZINC000382374794 350324058 /nfs/dbraw/zinc/32/40/58/350324058.db2.gz HPLBKDODUALVCA-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)NC(=[NH2+])NCc1coc2ccccc12 ZINC000262355679 535123928 /nfs/dbraw/zinc/12/39/28/535123928.db2.gz FVFRNWJZSQEBOQ-UHFFFAOYSA-N 1 0 231.299 2.246 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000159455085 350364355 /nfs/dbraw/zinc/36/43/55/350364355.db2.gz KOZHBWJJJCWFEL-DOMZBBRYSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ncsc1CC[NH2+]Cc1ccc(C#N)o1 ZINC000295123933 180309907 /nfs/dbraw/zinc/30/99/07/180309907.db2.gz XQOJXAKFNUARSN-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@]1(C)CCCS1 ZINC000328098136 350373258 /nfs/dbraw/zinc/37/32/58/350373258.db2.gz VNFVWRZVCYOHAD-NSHDSACASA-N 1 0 212.362 2.411 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnc2cccc(C)n12 ZINC000428370810 191098771 /nfs/dbraw/zinc/09/87/71/191098771.db2.gz BVEZKPZASSMDHT-UHFFFAOYSA-N 1 0 215.300 2.261 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CCCC#N)C[C@H]1C ZINC000336669135 350433377 /nfs/dbraw/zinc/43/33/77/350433377.db2.gz HVLJENHNCWLYBG-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H](O)C(C)(C)C)C1CC1 ZINC000336669794 350434470 /nfs/dbraw/zinc/43/44/70/350434470.db2.gz WRDCVPLSROHFRA-PWSUYJOCSA-N 1 0 224.348 2.017 20 30 BEEDRO C=CC1CC[NH+](CCCc2nc(C)no2)CC1 ZINC000336678718 350435304 /nfs/dbraw/zinc/43/53/04/350435304.db2.gz BXHOCMNRTSZQLM-UHFFFAOYSA-N 1 0 235.331 2.209 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000336676238 350438194 /nfs/dbraw/zinc/43/81/94/350438194.db2.gz MUMBLRBJAKVMRB-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO CO[C@@H](C)C[N@H+](CCCCC#N)C(C)C ZINC000336648468 350416989 /nfs/dbraw/zinc/41/69/89/350416989.db2.gz OQOVPZBPEDJSRL-LBPRGKRZSA-N 1 0 212.337 2.426 20 30 BEEDRO N#CCCN1CC[C@H]1Cc1ccccc1 ZINC000336647626 350417274 /nfs/dbraw/zinc/41/72/74/350417274.db2.gz MOZKDWPSOBCYSD-ZDUSSCGKSA-N 1 0 200.285 2.217 20 30 BEEDRO CC#CC[NH+]1CCC(OCCCC)CC1 ZINC000336652060 350419693 /nfs/dbraw/zinc/41/96/93/350419693.db2.gz WFKDOCJAUHFNHM-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO CC#CC[N@H+](C)CCOc1cccc(F)c1 ZINC000336667860 350427809 /nfs/dbraw/zinc/42/78/09/350427809.db2.gz HBWNJIBGHDFIAM-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](CCCSCC#N)C1 ZINC000336661256 350429053 /nfs/dbraw/zinc/42/90/53/350429053.db2.gz GLJCSLYYDIFBCC-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCSCC#N)[C@H](C)C1 ZINC000336668549 350429429 /nfs/dbraw/zinc/42/94/29/350429429.db2.gz PDPFKXVSFCAQFC-NEPJUHHUSA-N 1 0 242.388 2.133 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCc1nc(C)no1 ZINC000336684851 350446363 /nfs/dbraw/zinc/44/63/63/350446363.db2.gz VFKRYUARNYVBDI-UHFFFAOYSA-N 1 0 223.320 2.209 20 30 BEEDRO C=CCC[N@@H+](C)CCc1c(C)noc1C ZINC000336710613 350462367 /nfs/dbraw/zinc/46/23/67/350462367.db2.gz TZTWUXPACRMMAI-UHFFFAOYSA-N 1 0 208.305 2.342 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623541882 362961455 /nfs/dbraw/zinc/96/14/55/362961455.db2.gz BRFPBGQLAYZCTO-PYJNHQTQSA-N 1 0 223.360 2.338 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000336784034 350512504 /nfs/dbraw/zinc/51/25/04/350512504.db2.gz JJBHDCFNALMGEV-UHFFFAOYSA-N 1 0 246.358 2.488 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC1(SC)CCC1 ZINC000336740626 350494100 /nfs/dbraw/zinc/49/41/00/350494100.db2.gz UMZZVYZVHZQZMR-LLVKDONJSA-N 1 0 229.389 2.046 20 30 BEEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000163118757 350505861 /nfs/dbraw/zinc/50/58/61/350505861.db2.gz NZZUZYMLSZKQCN-QWHCGFSZSA-N 1 0 224.348 2.306 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336648082 350565586 /nfs/dbraw/zinc/56/55/86/350565586.db2.gz CJEDICZISUHQGN-XQQFMLRXSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000123183702 350659951 /nfs/dbraw/zinc/65/99/51/350659951.db2.gz MTBJOXITYUPRHF-LBPRGKRZSA-N 1 0 212.337 2.067 20 30 BEEDRO C#CCC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289889516 350674812 /nfs/dbraw/zinc/67/48/12/350674812.db2.gz SFJUPKHLYUGZMV-GFCCVEGCSA-N 1 0 237.368 2.421 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1C(=O)OCC ZINC000096687048 350682643 /nfs/dbraw/zinc/68/26/43/350682643.db2.gz LZABFZDVONPBIB-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164541707 191121064 /nfs/dbraw/zinc/12/10/64/191121064.db2.gz GPDUFOMISRMPQA-SMDDNHRTSA-N 1 0 232.327 2.226 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1nccn1C ZINC000385061534 350758506 /nfs/dbraw/zinc/75/85/06/350758506.db2.gz UMPMHZFUYZYVQC-SNVBAGLBSA-N 1 0 207.321 2.283 20 30 BEEDRO COCC(C)(C)C[NH+]1CCC(CC#N)CC1 ZINC000617314402 350723477 /nfs/dbraw/zinc/72/34/77/350723477.db2.gz WSLKCSLPERQFAI-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000125734700 350742153 /nfs/dbraw/zinc/74/21/53/350742153.db2.gz MOTWFXZOGZXXFN-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000336653662 191124161 /nfs/dbraw/zinc/12/41/61/191124161.db2.gz GFTKKEIQTPWJHQ-RWMBFGLXSA-N 1 0 243.416 2.291 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000564093676 323428859 /nfs/dbraw/zinc/42/88/59/323428859.db2.gz BKMQZSVJYWYHQD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCCC#N)on1 ZINC000052010005 350908311 /nfs/dbraw/zinc/90/83/11/350908311.db2.gz KSVRYXYZIVFMRQ-NSHDSACASA-N 1 0 219.288 2.424 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000397572400 350920727 /nfs/dbraw/zinc/92/07/27/350920727.db2.gz CIOOIQGHEDAEJT-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292357781 350933592 /nfs/dbraw/zinc/93/35/92/350933592.db2.gz HYTKJEAABVVVKG-ZWNOBZJWSA-N 1 0 235.352 2.363 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000628315384 350879543 /nfs/dbraw/zinc/87/95/43/350879543.db2.gz JHCUSIMWEOVPOA-LBPRGKRZSA-N 1 0 240.391 2.291 20 30 BEEDRO CCCCOCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397651927 350958174 /nfs/dbraw/zinc/95/81/74/350958174.db2.gz UEWCUTKKXWVNAO-ZDUSSCGKSA-N 1 0 224.348 2.429 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397647739 350957373 /nfs/dbraw/zinc/95/73/73/350957373.db2.gz SRSIOYPRMFGPQA-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C1CC[NH+](C)CC1 ZINC000628315914 351046485 /nfs/dbraw/zinc/04/64/85/351046485.db2.gz BHXFMQRZBIKZQK-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)Cn1cncc1C ZINC000626370347 351012441 /nfs/dbraw/zinc/01/24/41/351012441.db2.gz KMOOYGVNIOUHQS-LLVKDONJSA-N 1 0 235.331 2.053 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000336780940 191130605 /nfs/dbraw/zinc/13/06/05/191130605.db2.gz SPUWWOHIVURWHS-OCCSQVGLSA-N 1 0 222.376 2.415 20 30 BEEDRO N#CCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000260494201 351075157 /nfs/dbraw/zinc/07/51/57/351075157.db2.gz LFFGDUBRKRQWDT-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(C)CCCS1 ZINC000628318681 351087482 /nfs/dbraw/zinc/08/74/82/351087482.db2.gz PCDQPJHSZMHLIY-RWMBFGLXSA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCOCCC[NH2+]C[C@]1(C)CCCS1 ZINC000628339776 351283778 /nfs/dbraw/zinc/28/37/78/351283778.db2.gz WHHDNZXWAQUVJN-LBPRGKRZSA-N 1 0 229.389 2.454 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](c1cccnc1)C(C)C ZINC000267538976 351313086 /nfs/dbraw/zinc/31/30/86/351313086.db2.gz AAQQAJRQCCOERY-ZDUSSCGKSA-N 1 0 248.374 2.136 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC000628352249 351315567 /nfs/dbraw/zinc/31/55/67/351315567.db2.gz BWHRSWVKJBJJAC-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCc2ncccc21 ZINC000631634667 351321568 /nfs/dbraw/zinc/32/15/68/351321568.db2.gz ZRVMFHXBPRQYOH-DOMZBBRYSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cccc(C(N)=O)c1 ZINC000623592370 363026717 /nfs/dbraw/zinc/02/67/17/363026717.db2.gz JSPBVJBNQPALMD-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(CO)o1 ZINC000623592864 363028185 /nfs/dbraw/zinc/02/81/85/363028185.db2.gz FUGPFTNFYWPPPL-UHFFFAOYSA-N 1 0 223.316 2.464 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cc(C)n(C)n1 ZINC000623593080 363029563 /nfs/dbraw/zinc/02/95/63/363029563.db2.gz SKNALPTZQMOOPB-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)c2)CCCO1 ZINC000094798016 363032292 /nfs/dbraw/zinc/03/22/92/363032292.db2.gz ISTYOKBIUBOFAW-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000451882378 351422732 /nfs/dbraw/zinc/42/27/32/351422732.db2.gz CXHQRXUIOLQKOD-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)o1)C[C@H]1CCCO1 ZINC000092407270 363038496 /nfs/dbraw/zinc/03/84/96/363038496.db2.gz NMBRWNFYFOZXGC-GFCCVEGCSA-N 1 0 234.299 2.152 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]CCCC#N)CC2 ZINC000273258967 351514626 /nfs/dbraw/zinc/51/46/26/351514626.db2.gz MKRPCTUPWXYSBN-CQSZACIVSA-N 1 0 244.338 2.446 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CSC[C@@H]1C ZINC000307080855 351469787 /nfs/dbraw/zinc/46/97/87/351469787.db2.gz IWOJMFFHKWHAFM-XPUUQOCRSA-N 1 0 236.178 2.236 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153152334 363057075 /nfs/dbraw/zinc/05/70/75/363057075.db2.gz VNSZJKAYTJHRNG-JNSHFYNHSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H](C[NH+]1CCN(CC#N)CC1)C1CCCCC1 ZINC000386890156 363058382 /nfs/dbraw/zinc/05/83/82/363058382.db2.gz XQRRSMYWMMXEER-AWEZNQCLSA-N 1 0 249.402 2.344 20 30 BEEDRO Cc1c([C@@H](C)[NH2+]CCC(C)(C)C#N)cnn1C ZINC000273405437 351527551 /nfs/dbraw/zinc/52/75/51/351527551.db2.gz NIXVDPMJEIYSTD-SNVBAGLBSA-N 1 0 234.347 2.319 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@@H](C)O ZINC000386913530 363061274 /nfs/dbraw/zinc/06/12/74/363061274.db2.gz QJBCRUTZHSCEAW-WDMOLILDSA-N 1 0 232.327 2.368 20 30 BEEDRO C[NH+](C)CCSCc1cc(C#N)ccc1F ZINC000094822703 363062431 /nfs/dbraw/zinc/06/24/31/363062431.db2.gz LANNOVCTEQSERG-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C=CC[NH+](CC=C)CCCSCCOC ZINC000278341725 166335712 /nfs/dbraw/zinc/33/57/12/166335712.db2.gz FOMAYAPPYGRQSZ-UHFFFAOYSA-N 1 0 229.389 2.430 20 30 BEEDRO Cc1cccc(C)c1CCNC(=[NH2+])N(C)C1CC1 ZINC000273339766 351519229 /nfs/dbraw/zinc/51/92/29/351519229.db2.gz MRZUZFMGMWLUAX-UHFFFAOYSA-N 1 0 245.370 2.255 20 30 BEEDRO CCn1nc(C[NH2+]CCCC#N)c2ccccc21 ZINC000274474377 351569305 /nfs/dbraw/zinc/56/93/05/351569305.db2.gz WKXOQFRFPRZTRC-UHFFFAOYSA-N 1 0 242.326 2.450 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCO[C@H]1CCCCO1 ZINC000572253767 323578993 /nfs/dbraw/zinc/57/89/93/323578993.db2.gz AORBOTTXDSLXNW-STQMWFEESA-N 1 0 240.347 2.202 20 30 BEEDRO CC1(C)CCCN(CCCn2ccnc2)[C@H]1C#N ZINC000277715154 351723691 /nfs/dbraw/zinc/72/36/91/351723691.db2.gz ITYMINVMLFPIDV-ZDUSSCGKSA-N 1 0 246.358 2.287 20 30 BEEDRO CCn1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000278833013 351786575 /nfs/dbraw/zinc/78/65/75/351786575.db2.gz UEYYQYUKEKSGLP-YPMHNXCESA-N 1 0 232.331 2.075 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000278847883 351787422 /nfs/dbraw/zinc/78/74/22/351787422.db2.gz VHIVYDBRJLVOKQ-UONOGXRCSA-N 1 0 229.327 2.296 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CCCCC#N)n1 ZINC000279669622 351820853 /nfs/dbraw/zinc/82/08/53/351820853.db2.gz DZTCLHRAYMRJKX-UHFFFAOYSA-N 1 0 244.342 2.032 20 30 BEEDRO Cn1cc(C[NH2+]CCCC(F)(F)F)cc1C#N ZINC000232315671 180649061 /nfs/dbraw/zinc/64/90/61/180649061.db2.gz MVYOZGKJCNZPEA-UHFFFAOYSA-N 1 0 245.248 2.329 20 30 BEEDRO CCCNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280644558 351854328 /nfs/dbraw/zinc/85/43/28/351854328.db2.gz VIRYAUVRUZMDHU-JOCQHMNTSA-N 1 0 231.343 2.247 20 30 BEEDRO C=CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280627118 351854386 /nfs/dbraw/zinc/85/43/86/351854386.db2.gz YPJIBSBPTNNZJS-IYBDPMFKSA-N 1 0 242.366 2.236 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1c1cc(F)ccc1C#N ZINC001639952963 1172145566 /nfs/dbraw/zinc/14/55/66/1172145566.db2.gz ICHWOIIONAGHDN-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC(C)(C)OCCO ZINC000336735733 351917715 /nfs/dbraw/zinc/91/77/15/351917715.db2.gz LYZASKNCVCBMJC-GFCCVEGCSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CC1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000638072255 351944771 /nfs/dbraw/zinc/94/47/71/351944771.db2.gz LODBLJKATFHPOY-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336734591 351889589 /nfs/dbraw/zinc/88/95/89/351889589.db2.gz KWJOKWFASSZGIC-FDYHWXHSSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CCOC1 ZINC000405137375 351898206 /nfs/dbraw/zinc/89/82/06/351898206.db2.gz RETLJYXSMGAXRL-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO [NH2+]=C(NCC1CC(c2ccccc2)C1)NC1CC1 ZINC000282921271 351951202 /nfs/dbraw/zinc/95/12/02/351951202.db2.gz HQMGSVBVGLVGGN-UHFFFAOYSA-N 1 0 243.354 2.247 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)C1CC1 ZINC000336737885 351979862 /nfs/dbraw/zinc/97/98/62/351979862.db2.gz QPNXEKQBDUTPSG-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO CC[NH+]1CCC(NCC2(C#N)CCCC2)CC1 ZINC000405160492 351982502 /nfs/dbraw/zinc/98/25/02/351982502.db2.gz XAKUOMLSJQGVLH-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO Cc1noc([C@H]2CCCN2CCCCC#N)n1 ZINC000285712676 352056618 /nfs/dbraw/zinc/05/66/18/352056618.db2.gz PQQQXALUCFPICH-LLVKDONJSA-N 1 0 234.303 2.209 20 30 BEEDRO CCn1cc(CC[NH+]2CCC(C)(C#N)CC2)cn1 ZINC000285249646 352031635 /nfs/dbraw/zinc/03/16/35/352031635.db2.gz YXVRMEHZUZTNFW-UHFFFAOYSA-N 1 0 246.358 2.071 20 30 BEEDRO C=C(C)CC[N@H+](CCCO)Cc1ccccn1 ZINC000287788688 352133483 /nfs/dbraw/zinc/13/34/83/352133483.db2.gz NWIVYUDSKYPDQE-UHFFFAOYSA-N 1 0 234.343 2.232 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C[C@H]1C ZINC000613333437 363113148 /nfs/dbraw/zinc/11/31/48/363113148.db2.gz QFSRFFJYDOTDNW-UMVBOHGHSA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)OC ZINC000290687650 352236531 /nfs/dbraw/zinc/23/65/31/352236531.db2.gz QRWGEQKBJKXLGN-ZDUSSCGKSA-N 1 0 249.358 2.455 20 30 BEEDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000230659242 352202706 /nfs/dbraw/zinc/20/27/06/352202706.db2.gz MVLPAMJRHLNGRZ-WCQYABFASA-N 1 0 231.343 2.423 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH2+]CC ZINC000638400360 352205298 /nfs/dbraw/zinc/20/52/98/352205298.db2.gz IVHCSAGBLKYFSD-YNEHKIRRSA-N 1 0 238.375 2.236 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@](C)(O)C2)cc1 ZINC000290081729 352209982 /nfs/dbraw/zinc/20/99/82/352209982.db2.gz QQRKXUSLVYPCIF-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C=CC[N@@H+](CCCn1ccnc1C)C1CC1 ZINC000271349895 166342051 /nfs/dbraw/zinc/34/20/51/166342051.db2.gz DCGYIEJDBVRRKD-UHFFFAOYSA-N 1 0 219.332 2.232 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC1(C#N)CC1 ZINC000613389580 363153854 /nfs/dbraw/zinc/15/38/54/363153854.db2.gz OAXQHYSDNWCVBH-OCCSQVGLSA-N 1 0 244.338 2.044 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000230690510 352263270 /nfs/dbraw/zinc/26/32/70/352263270.db2.gz CPPHUKLBGHKIIN-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000638454881 352264316 /nfs/dbraw/zinc/26/43/16/352264316.db2.gz MZDDFMBEZRNWCT-RYUDHWBXSA-N 1 0 240.391 2.324 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc3C2)C1 ZINC000340360347 352248369 /nfs/dbraw/zinc/24/83/69/352248369.db2.gz JGIUDAJBCAPZAQ-KWCYVHTRSA-N 1 0 242.322 2.272 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)[C@H]([NH3+])CCC(C)C)C1 ZINC000638474535 352284077 /nfs/dbraw/zinc/28/40/77/352284077.db2.gz OEIROZSWJGNIFJ-CHWSQXEVSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000291806493 352289927 /nfs/dbraw/zinc/28/99/27/352289927.db2.gz CBABSHIGDPXDOO-UHFFFAOYSA-N 1 0 240.328 2.098 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000292028345 352298296 /nfs/dbraw/zinc/29/82/96/352298296.db2.gz YUHKUVMIAWJOAC-LBPRGKRZSA-N 1 0 232.331 2.070 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189262653 363174710 /nfs/dbraw/zinc/17/47/10/363174710.db2.gz ICNVLGJAISGJDW-SNVBAGLBSA-N 1 0 237.265 2.198 20 30 BEEDRO C[C@H]1CN(c2cccc(F)c2)CCN1CCC#N ZINC000292310172 352314308 /nfs/dbraw/zinc/31/43/08/352314308.db2.gz NGMYCEGAXSIYPY-LBPRGKRZSA-N 1 0 247.317 2.250 20 30 BEEDRO C=CC1CC[NH+](CCCC(=O)NCCC)CC1 ZINC000411259120 191171890 /nfs/dbraw/zinc/17/18/90/191171890.db2.gz WDOOVZNPOHWQSR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)CCC#N ZINC000411216731 191171962 /nfs/dbraw/zinc/17/19/62/191171962.db2.gz FOXYLBMIPFPAJN-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO COCC1CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411264750 191173497 /nfs/dbraw/zinc/17/34/97/191173497.db2.gz MTIGLNFXSLYGQN-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411277042 191173753 /nfs/dbraw/zinc/17/37/53/191173753.db2.gz HMYZUIHCOPDMPJ-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)[C@H]2CC2(F)F)CC1 ZINC000638524060 352356833 /nfs/dbraw/zinc/35/68/33/352356833.db2.gz KITGKTLCNBUGBJ-CMPLNLGQSA-N 1 0 244.329 2.270 20 30 BEEDRO C[C@H](CCC#N)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000411298213 191175460 /nfs/dbraw/zinc/17/54/60/191175460.db2.gz JCMBMLAFCIHECA-HIFRSBDPSA-N 1 0 249.402 2.342 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292981723 352334664 /nfs/dbraw/zinc/33/46/64/352334664.db2.gz BKDQCUPFJVMBIE-UHFFFAOYSA-N 1 0 232.283 2.092 20 30 BEEDRO C[C@@H]([NH2+]CCC1(C#N)CCCCC1)[C@H](C)CO ZINC000411526801 191191012 /nfs/dbraw/zinc/19/10/12/191191012.db2.gz FAKVYEASMNAIEW-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1nnc(C)s1 ZINC000336742179 352395020 /nfs/dbraw/zinc/39/50/20/352395020.db2.gz NWINTHVJXAZBKP-SECBINFHSA-N 1 0 241.360 2.090 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000411399608 191183197 /nfs/dbraw/zinc/18/31/97/191183197.db2.gz ROFJKVQJSLDXIQ-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCN(C)CC[N@H+](CC)CC[C@H](C)F ZINC000411640466 191197493 /nfs/dbraw/zinc/19/74/93/191197493.db2.gz FGGMIXVSXWMZRU-LBPRGKRZSA-N 1 0 216.344 2.174 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000411630340 191199815 /nfs/dbraw/zinc/19/98/15/191199815.db2.gz HTNOFGIJIKTQDV-PWSUYJOCSA-N 1 0 230.311 2.141 20 30 BEEDRO N#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000411662480 191200875 /nfs/dbraw/zinc/20/08/75/191200875.db2.gz OASQTEDUWCVURJ-BFHYXJOUSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCSCC ZINC000411642983 191202505 /nfs/dbraw/zinc/20/25/05/191202505.db2.gz OARYWQGYNFQROI-UHFFFAOYSA-N 1 0 230.421 2.179 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CC(=C)CC ZINC000411646998 191203621 /nfs/dbraw/zinc/20/36/21/191203621.db2.gz XCAYSBJZZYFBAD-UHFFFAOYSA-N 1 0 210.365 2.392 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCc1ccncc1 ZINC000411646948 191203761 /nfs/dbraw/zinc/20/37/61/191203761.db2.gz WVYOVMOGAOQCHK-UHFFFAOYSA-N 1 0 247.386 2.064 20 30 BEEDRO CSCCC[N@H+](C)[C@H](C)CCC#N ZINC000411677773 191203867 /nfs/dbraw/zinc/20/38/67/191203867.db2.gz RYCIBJCIEPBQKJ-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO C[C@H](NCCC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519132 191191845 /nfs/dbraw/zinc/19/18/45/191191845.db2.gz REPVMDJTWICKMB-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO C[N@H+](CCC1(C#N)CCCCC1)C1CC(O)C1 ZINC000411533084 191192975 /nfs/dbraw/zinc/19/29/75/191192975.db2.gz ZPULKAWGXPJKCN-UHFFFAOYSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@H]1Oc2ccccc2[C@H]1C ZINC000411542614 191193306 /nfs/dbraw/zinc/19/33/06/191193306.db2.gz ZXSJNKSLUDZTMD-SUNKGSAMSA-N 1 0 230.311 2.443 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411565384 191194164 /nfs/dbraw/zinc/19/41/64/191194164.db2.gz FEGDGJSFMVVYQC-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)Cc1ccccn1 ZINC000411786872 191212337 /nfs/dbraw/zinc/21/23/37/191212337.db2.gz MCNVXVFVZCWSQS-LLVKDONJSA-N 1 0 203.289 2.206 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+]CCC#N)C1(C)C ZINC000411802434 191213153 /nfs/dbraw/zinc/21/31/53/191213153.db2.gz NQCORAVWYVZJIZ-MNOVXSKESA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000411763187 191208670 /nfs/dbraw/zinc/20/86/70/191208670.db2.gz YOZOYDZRXGOMGZ-TUVASFSCSA-N 1 0 249.402 2.341 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccccc1C#N)C(C)C ZINC000203649462 352453537 /nfs/dbraw/zinc/45/35/37/352453537.db2.gz QXSXKEJMWYGIDM-CQSZACIVSA-N 1 0 232.327 2.319 20 30 BEEDRO CC[C@H](C)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000411798426 191212142 /nfs/dbraw/zinc/21/21/42/191212142.db2.gz VJZXDPUTUIXBOX-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638647209 352490976 /nfs/dbraw/zinc/49/09/76/352490976.db2.gz NAKBOSOEBFPGIB-AAEUAGOBSA-N 1 0 236.359 2.012 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000411836919 191214806 /nfs/dbraw/zinc/21/48/06/191214806.db2.gz ALRFPKMQRKWNLE-KWCYVHTRSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCCCC1 ZINC000073598160 352509295 /nfs/dbraw/zinc/50/92/95/352509295.db2.gz MZXIWHNDLCKPOP-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000583481274 352552133 /nfs/dbraw/zinc/55/21/33/352552133.db2.gz QHEKMASERGVZSP-CHWSQXEVSA-N 1 0 211.349 2.483 20 30 BEEDRO Cn1cc(C[NH2+]C[C@@H]2CCCCS2)cc1C#N ZINC000232315574 352617809 /nfs/dbraw/zinc/61/78/09/352617809.db2.gz NYQDNWKAUIDKJG-ZDUSSCGKSA-N 1 0 249.383 2.272 20 30 BEEDRO COC[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 ZINC000411865670 191224963 /nfs/dbraw/zinc/22/49/63/191224963.db2.gz HRWBHFFIPUKNHI-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411852764 191220329 /nfs/dbraw/zinc/22/03/29/191220329.db2.gz RHTSQHWLIYRENG-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638757008 352688350 /nfs/dbraw/zinc/68/83/50/352688350.db2.gz GBRJZXVONXLNDU-CLLJXQQHSA-N 1 0 209.333 2.215 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](CC(C)C)OC ZINC000638758121 352692996 /nfs/dbraw/zinc/69/29/96/352692996.db2.gz SODBNWYXTBBDMO-CYBMUJFWSA-N 1 0 229.364 2.230 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000411968187 191234077 /nfs/dbraw/zinc/23/40/77/191234077.db2.gz IYFGTWXFTZYZPJ-JSGCOSHPSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000411962402 191234488 /nfs/dbraw/zinc/23/44/88/191234488.db2.gz BEFNRDUNPUSRMQ-KWCYVHTRSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411961227 191234818 /nfs/dbraw/zinc/23/48/18/191234818.db2.gz ZPXWVEDOHMCJQU-UONOGXRCSA-N 1 0 217.312 2.370 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)C1CCOCC1 ZINC000336744794 352697921 /nfs/dbraw/zinc/69/79/21/352697921.db2.gz VHSUPSARWOTSPY-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411981475 191235787 /nfs/dbraw/zinc/23/57/87/191235787.db2.gz AWYKZCCGDOOXTJ-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](C)CC(C)C ZINC000336745122 352700998 /nfs/dbraw/zinc/70/09/98/352700998.db2.gz AWERRFVAUDLRPY-QWHCGFSZSA-N 1 0 213.365 2.443 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ncc(CN(C)C)s1 ZINC000336744939 352702018 /nfs/dbraw/zinc/70/20/18/352702018.db2.gz QIIBACLKHLCUJU-SNVBAGLBSA-N 1 0 239.388 2.259 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638751275 352684148 /nfs/dbraw/zinc/68/41/48/352684148.db2.gz XYSVVYFXBZLWOU-GXSJLCMTSA-N 1 0 205.305 2.035 20 30 BEEDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCOCCC#N ZINC000412049794 191244830 /nfs/dbraw/zinc/24/48/30/191244830.db2.gz WZOWDSSLBZXNIX-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)s1 ZINC000252708160 187842285 /nfs/dbraw/zinc/84/22/85/187842285.db2.gz ZJACTXIHKQTEJC-MGCOHNPYSA-N 1 0 236.340 2.013 20 30 BEEDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000412071979 191251623 /nfs/dbraw/zinc/25/16/23/191251623.db2.gz HCXFTIZPKXIGQV-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412067840 191252178 /nfs/dbraw/zinc/25/21/78/191252178.db2.gz MGUYMXCMNTXORN-ZDUSSCGKSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C1CCN(Cc2nc(-c3ccoc3)no2)CC1 ZINC000334235608 352852623 /nfs/dbraw/zinc/85/26/23/352852623.db2.gz KMCJIXDCQFPMPW-UHFFFAOYSA-N 1 0 245.282 2.482 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)CCCC ZINC000336748072 352934888 /nfs/dbraw/zinc/93/48/88/352934888.db2.gz XTAOYBYLQGKVNU-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000638811462 352990281 /nfs/dbraw/zinc/99/02/81/352990281.db2.gz AQYCRZOHRHJICG-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)C1CCCCCC1 ZINC000336748355 352965831 /nfs/dbraw/zinc/96/58/31/352965831.db2.gz DIVOIKUEHWTOEA-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@H]2CCCC23CC3)CCC[NH2+]1 ZINC000638834866 353021156 /nfs/dbraw/zinc/02/11/56/353021156.db2.gz RZPDDTQCGWMNSK-SWLSCSKDSA-N 1 0 248.370 2.134 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638816248 352997293 /nfs/dbraw/zinc/99/72/93/352997293.db2.gz MFFHVRCGSCROPS-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638816245 352997339 /nfs/dbraw/zinc/99/73/39/352997339.db2.gz MFFHVRCGSCROPS-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000638875391 353041437 /nfs/dbraw/zinc/04/14/37/353041437.db2.gz RKKXMJRNHHRNEQ-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC[C@@H](C)[NH3+] ZINC000638874186 353044501 /nfs/dbraw/zinc/04/45/01/353044501.db2.gz GIHOSQMKSNVIBV-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC(C)(C)[NH3+] ZINC000638874677 353045271 /nfs/dbraw/zinc/04/52/71/353045271.db2.gz JUCWJXYQZIWLHS-UHFFFAOYSA-N 1 0 226.364 2.222 20 30 BEEDRO CN(CC[NH+]1CCCC1)Cc1cccc(C#N)c1 ZINC000057447930 353109541 /nfs/dbraw/zinc/10/95/41/353109541.db2.gz VQILKPSXPXBJHH-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000334468354 353116136 /nfs/dbraw/zinc/11/61/36/353116136.db2.gz XVYRFYRORUZCEB-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C(F)(F)F ZINC000336752806 353085931 /nfs/dbraw/zinc/08/59/31/353085931.db2.gz HEBJAJCWNUUTHG-VGMNWLOBSA-N 1 0 220.238 2.467 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000335953373 535201872 /nfs/dbraw/zinc/20/18/72/535201872.db2.gz UTMQGZKKLXMDSW-GFCCVEGCSA-N 1 0 204.273 2.382 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000178880076 188080555 /nfs/dbraw/zinc/08/05/55/188080555.db2.gz KCYBIQWLCYZHHV-CYBMUJFWSA-N 1 0 232.327 2.159 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000268281698 188089421 /nfs/dbraw/zinc/08/94/21/188089421.db2.gz PIGLWZUVUUUTOE-QWHCGFSZSA-N 1 0 233.311 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271828471 188090065 /nfs/dbraw/zinc/09/00/65/188090065.db2.gz OZZUATYKWUMFHD-LLVKDONJSA-N 1 0 244.338 2.432 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1(C)C ZINC000336760082 353170045 /nfs/dbraw/zinc/17/00/45/353170045.db2.gz JMIGNQPVUYSFGP-FIQHERPVSA-N 1 0 222.332 2.082 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2c[nH]nc2c1 ZINC000271140779 188090705 /nfs/dbraw/zinc/09/07/05/188090705.db2.gz PAEDVGBUXYGMFX-UHFFFAOYSA-N 1 0 213.284 2.018 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271828475 188090777 /nfs/dbraw/zinc/09/07/77/188090777.db2.gz OZZUATYKWUMFHD-NSHDSACASA-N 1 0 244.338 2.432 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CCc1ccccc1)C1CC1 ZINC000274250975 188091757 /nfs/dbraw/zinc/09/17/57/188091757.db2.gz ZPCMJJNTUXCMLZ-MRXNPFEDSA-N 1 0 243.350 2.078 20 30 BEEDRO C#CC[N@H+](CCOc1ccccc1C#N)C1CC1 ZINC000274009528 188091958 /nfs/dbraw/zinc/09/19/58/188091958.db2.gz AJYZGAHKYLGYDG-UHFFFAOYSA-N 1 0 240.306 2.035 20 30 BEEDRO C#CC[N@@H+](Cc1ccc2c(c1)ncn2C)C1CC1 ZINC000274143702 188091986 /nfs/dbraw/zinc/09/19/86/188091986.db2.gz RHZYVVGWBGVNLO-UHFFFAOYSA-N 1 0 239.322 2.171 20 30 BEEDRO CC(C)(O)C[N@H+](CC#Cc1ccccc1)C1CC1 ZINC000276908253 188093993 /nfs/dbraw/zinc/09/39/93/188093993.db2.gz FKJAYUCVZXYIAL-UHFFFAOYSA-N 1 0 243.350 2.273 20 30 BEEDRO C=CCOCC[NH2+]Cc1c(C)cccc1OC ZINC000638968274 353175061 /nfs/dbraw/zinc/17/50/61/353175061.db2.gz HNUYZLNXRPSIMT-UHFFFAOYSA-N 1 0 235.327 2.296 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@]2(CC)CO)cc1 ZINC000278884758 188095981 /nfs/dbraw/zinc/09/59/81/188095981.db2.gz HGYRXZWGGIYJMV-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2cccnc2C#N)CC1 ZINC000290449952 188096749 /nfs/dbraw/zinc/09/67/49/188096749.db2.gz DCHPDRIWURHUCH-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC2CCCC2)CC1 ZINC000609538702 353167531 /nfs/dbraw/zinc/16/75/31/353167531.db2.gz WEVJMRCTEPWVRG-OAHLLOKOSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C1CC[NH+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000268668403 188088979 /nfs/dbraw/zinc/08/89/79/188088979.db2.gz JVPTUYBLVFUECO-OAHLLOKOSA-N 1 0 242.322 2.244 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000330837413 353185642 /nfs/dbraw/zinc/18/56/42/353185642.db2.gz MCUJXAXDQOOJTN-IHRRRGAJSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000308878236 259438382 /nfs/dbraw/zinc/43/83/82/259438382.db2.gz OJHFRBXYBHVGFI-GWNIPJSYSA-N 1 0 204.317 2.457 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C)C1 ZINC000052867617 353218669 /nfs/dbraw/zinc/21/86/69/353218669.db2.gz XXODJGXEWZEWPU-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CCC1CC1 ZINC000336762726 353208508 /nfs/dbraw/zinc/20/85/08/353208508.db2.gz OLMVDWGQPHKBHN-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO COc1ccc(C[NH2+]CC2CC2)cc1C#N ZINC000083729921 188143155 /nfs/dbraw/zinc/14/31/55/188143155.db2.gz SMHDAQNYKAGQOE-UHFFFAOYSA-N 1 0 216.284 2.066 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H](CC)CO)cc1 ZINC000151820337 188150683 /nfs/dbraw/zinc/15/06/83/188150683.db2.gz SQEGSLITGLAIMC-TZMCWYRMSA-N 1 0 247.338 2.120 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000181466564 188168311 /nfs/dbraw/zinc/16/83/11/188168311.db2.gz SXSUJOGLTOAQGV-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccccc1C#N ZINC000181487425 188168558 /nfs/dbraw/zinc/16/85/58/188168558.db2.gz UBXKBAYMBURUIG-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)Cc1cccc(C#N)c1 ZINC000185330454 188170745 /nfs/dbraw/zinc/17/07/45/188170745.db2.gz NAEGTBZHPCMNRY-OAHLLOKOSA-N 1 0 246.354 2.397 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CCOC)COC ZINC000336763898 353248750 /nfs/dbraw/zinc/24/87/50/353248750.db2.gz MQIKZECBJBYEPJ-RWMBFGLXSA-N 1 0 229.364 2.228 20 30 BEEDRO N#CCCNC1CC[NH+](Cc2ccccc2)CC1 ZINC000020199405 188174769 /nfs/dbraw/zinc/17/47/69/188174769.db2.gz VVCSAMZZQCPYFB-UHFFFAOYSA-N 1 0 243.354 2.154 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000336763835 353250816 /nfs/dbraw/zinc/25/08/16/353250816.db2.gz PQZBKKJHGWQTOQ-OLZOCXBDSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000126828881 353254440 /nfs/dbraw/zinc/25/44/40/353254440.db2.gz KKGBIFMLQIMQSF-JTQLQIEISA-N 1 0 237.372 2.276 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000127370286 353270367 /nfs/dbraw/zinc/27/03/67/353270367.db2.gz QNQCCLXXTSTYSV-IACUBPJLSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)C1CC1 ZINC000127370059 353271119 /nfs/dbraw/zinc/27/11/19/353271119.db2.gz QNQCCLXXTSTYSV-YUTCNCBUSA-N 1 0 221.344 2.258 20 30 BEEDRO CC(C)[N@H+](C)CCNc1ccc(C#N)cc1F ZINC000054128359 188222186 /nfs/dbraw/zinc/22/21/86/188222186.db2.gz YHWQCVYQLKSWGC-UHFFFAOYSA-N 1 0 235.306 2.449 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000160564793 353265947 /nfs/dbraw/zinc/26/59/47/353265947.db2.gz XLQJFAPLPNYDKD-SNVBAGLBSA-N 1 0 218.256 2.269 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000289982802 353266264 /nfs/dbraw/zinc/26/62/64/353266264.db2.gz XZQIEBTVSWLZMA-OCCSQVGLSA-N 1 0 217.312 2.119 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000336768591 353280848 /nfs/dbraw/zinc/28/08/48/353280848.db2.gz RBXREEZBCPMPPT-AVGNSLFASA-N 1 0 227.348 2.125 20 30 BEEDRO N#CCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045944265 353285434 /nfs/dbraw/zinc/28/54/34/353285434.db2.gz OFKJNKGMWTWXQA-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2c1cnn2C ZINC000161641754 353290894 /nfs/dbraw/zinc/29/08/94/353290894.db2.gz ZAHKAVHTXZLMPI-JQWIXIFHSA-N 1 0 219.332 2.352 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000166492947 188225207 /nfs/dbraw/zinc/22/52/07/188225207.db2.gz OFSZAKIJVXGKEI-NWDGAFQWSA-N 1 0 217.312 2.238 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnn2ccccc12 ZINC000167440873 188226225 /nfs/dbraw/zinc/22/62/25/188226225.db2.gz SRYXYIWXQJYEIS-UHFFFAOYSA-N 1 0 201.273 2.000 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)[C@H](C)COC ZINC000072610671 353279831 /nfs/dbraw/zinc/27/98/31/353279831.db2.gz ZEJRQKRXZITDGZ-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1ccco1 ZINC000336770192 353299782 /nfs/dbraw/zinc/29/97/82/353299782.db2.gz WIZQPVUUUFELBU-GHMZBOCLSA-N 1 0 209.289 2.115 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000336770882 353302541 /nfs/dbraw/zinc/30/25/41/353302541.db2.gz XCKVYJMFTAEMMW-GHMZBOCLSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](C)[S@](C)=O)C1CC1 ZINC000252729839 353302609 /nfs/dbraw/zinc/30/26/09/353302609.db2.gz INTAAMDQMSLWPG-FFSVYQOJSA-N 1 0 243.416 2.478 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000054341676 353333268 /nfs/dbraw/zinc/33/32/68/353333268.db2.gz XHPIHCXMMIQYIC-NSHDSACASA-N 1 0 221.304 2.134 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000076397005 353333884 /nfs/dbraw/zinc/33/38/84/353333884.db2.gz GEAQTZQNLSBDFG-LBPRGKRZSA-N 1 0 242.326 2.095 20 30 BEEDRO C=CCCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000054400807 353334468 /nfs/dbraw/zinc/33/44/68/353334468.db2.gz PITASMPJEDHYAR-UHFFFAOYSA-N 1 0 218.300 2.311 20 30 BEEDRO N#Cc1cc(F)ccc1NCC[C@H]1CCC[NH2+]1 ZINC000166897511 133960858 /nfs/dbraw/zinc/96/08/58/133960858.db2.gz CYXCJCVELTXANW-GFCCVEGCSA-N 1 0 233.290 2.251 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCC1(C#N)CCOCC1 ZINC000577861531 366087743 /nfs/dbraw/zinc/08/77/43/366087743.db2.gz CYFBGXOGSNVPHQ-ZDUSSCGKSA-N 1 0 249.358 2.369 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2ccccc2n1C ZINC000639044198 353329243 /nfs/dbraw/zinc/32/92/43/353329243.db2.gz GTGBVLAUILJQJW-ZDUSSCGKSA-N 1 0 244.338 2.205 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639055970 353365901 /nfs/dbraw/zinc/36/59/01/353365901.db2.gz FHGCFQPEQMJKIL-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639055971 353365958 /nfs/dbraw/zinc/36/59/58/353365958.db2.gz FHGCFQPEQMJKIL-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCC[N@@H+](C)CCCC(=O)OCC ZINC000076737687 353341196 /nfs/dbraw/zinc/34/11/96/353341196.db2.gz ZWTLIWAPNYZXAE-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000132073225 353373553 /nfs/dbraw/zinc/37/35/53/353373553.db2.gz GHLOMXCBOZZSFI-AWEZNQCLSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC000132073076 353374024 /nfs/dbraw/zinc/37/40/24/353374024.db2.gz GHLOMXCBOZZSFI-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccccc1OCCCCO ZINC000639067870 353378118 /nfs/dbraw/zinc/37/81/18/353378118.db2.gz MYNOXTHCMVURGN-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](CC)CSC ZINC000091098006 353400313 /nfs/dbraw/zinc/40/03/13/353400313.db2.gz FKVOYXCANRUZLB-NWDGAFQWSA-N 1 0 231.405 2.387 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000091630064 353410012 /nfs/dbraw/zinc/41/00/12/353410012.db2.gz CUIOQDYYLMAKCM-GFCCVEGCSA-N 1 0 246.358 2.369 20 30 BEEDRO C=CCCCN(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000133365056 353416456 /nfs/dbraw/zinc/41/64/56/353416456.db2.gz WJRPKRUNNKYAMW-UHFFFAOYSA-N 1 0 232.327 2.184 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](COC)c1ccccc1 ZINC000181687512 353437981 /nfs/dbraw/zinc/43/79/81/353437981.db2.gz YJUMLNAQZLWADD-GJZGRUSLSA-N 1 0 249.354 2.291 20 30 BEEDRO C[C@@H](CO)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000282736270 353482431 /nfs/dbraw/zinc/48/24/31/353482431.db2.gz IUCRHHMQJFVPON-NSHDSACASA-N 1 0 237.730 2.004 20 30 BEEDRO C=CCN(CC=C)CCC[NH+](CC)CC ZINC000191435488 353479635 /nfs/dbraw/zinc/47/96/35/353479635.db2.gz CFROHCWKVXSWJX-UHFFFAOYSA-N 1 0 210.365 2.392 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)C(C)C ZINC000284376602 353515490 /nfs/dbraw/zinc/51/54/90/353515490.db2.gz UNMAPQKFSUOWBE-OAHLLOKOSA-N 1 0 249.329 2.278 20 30 BEEDRO CC(C)[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000191902925 353520832 /nfs/dbraw/zinc/52/08/32/353520832.db2.gz MACAMQGGNFTNAC-UHFFFAOYSA-N 1 0 242.366 2.064 20 30 BEEDRO C[C@@H](O)C[N@H+](C)CC#Cc1ccccc1Cl ZINC000135098899 353526224 /nfs/dbraw/zinc/52/62/24/353526224.db2.gz VEWGQERGWUDGOV-LLVKDONJSA-N 1 0 237.730 2.004 20 30 BEEDRO C=CCCC[N@@H+](C)CCc1cnn(CC)c1 ZINC000285051113 353526766 /nfs/dbraw/zinc/52/67/66/353526766.db2.gz OCKQPZQBZBLCSK-UHFFFAOYSA-N 1 0 221.348 2.344 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000192015640 353531716 /nfs/dbraw/zinc/53/17/16/353531716.db2.gz STBWMPQRTWDMOA-WDEREUQCSA-N 1 0 248.326 2.173 20 30 BEEDRO C[N@@H+](CC#Cc1ccccc1)CCOCC1CC1 ZINC000192067230 353535190 /nfs/dbraw/zinc/53/51/90/353535190.db2.gz BDOCEUQYYVRMRP-UHFFFAOYSA-N 1 0 243.350 2.397 20 30 BEEDRO C#CC[N@@H+](C)CCCc1ccccc1OC ZINC000192224006 353538469 /nfs/dbraw/zinc/53/84/69/353538469.db2.gz CGMIOSXECNEVOR-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO C#CC[N@@H+](CCC(C)(C)O)Cc1ccccc1 ZINC000285864573 353547195 /nfs/dbraw/zinc/54/71/95/353547195.db2.gz XSRZQTWPEWONOI-UHFFFAOYSA-N 1 0 231.339 2.283 20 30 BEEDRO CC#CC(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000283307740 353497845 /nfs/dbraw/zinc/49/78/45/353497845.db2.gz UUBZWTLRXPZHFP-UHFFFAOYSA-N 1 0 230.311 2.018 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](C)O ZINC000192973898 353575858 /nfs/dbraw/zinc/57/58/58/353575858.db2.gz FSFXVYPFSDSUHH-ZDUSSCGKSA-N 1 0 219.328 2.098 20 30 BEEDRO C=C(CNC(=O)C[NH+](CC)CC)c1ccccc1 ZINC000287963204 353594792 /nfs/dbraw/zinc/59/47/92/353594792.db2.gz AORYEPQPOREHLH-UHFFFAOYSA-N 1 0 246.354 2.158 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](C)OC ZINC000285777417 353551117 /nfs/dbraw/zinc/55/11/17/353551117.db2.gz SLICPRASRGRKCI-CYBMUJFWSA-N 1 0 217.312 2.157 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ncccc1C ZINC000286259070 353553777 /nfs/dbraw/zinc/55/37/77/353553777.db2.gz SRNABOQZFHHNIE-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1CSC ZINC000135445247 353558937 /nfs/dbraw/zinc/55/89/37/353558937.db2.gz QPGKVSHPHCASMX-NWDGAFQWSA-N 1 0 229.389 2.141 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)c1ccc(OC)cc1 ZINC000286515239 353562555 /nfs/dbraw/zinc/56/25/55/353562555.db2.gz SCAMFWNZYQXIPB-UHFFFAOYSA-N 1 0 245.322 2.223 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(OC)ccc1O)C(C)C ZINC000289614652 353623194 /nfs/dbraw/zinc/62/31/94/353623194.db2.gz WAEOXYIMFWBDLB-ZDUSSCGKSA-N 1 0 233.311 2.148 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000289652567 353624370 /nfs/dbraw/zinc/62/43/70/353624370.db2.gz GIBNAENIMQAGKC-UFBFGSQYSA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000289675428 353624967 /nfs/dbraw/zinc/62/49/67/353624967.db2.gz HMKPNDVZFMAGCS-AAEUAGOBSA-N 1 0 242.322 2.432 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000289651861 353625006 /nfs/dbraw/zinc/62/50/06/353625006.db2.gz LOQWYHGZJZRRLJ-IUODEOHRSA-N 1 0 229.323 2.183 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000289675434 353626146 /nfs/dbraw/zinc/62/61/46/353626146.db2.gz HMKPNDVZFMAGCS-WCQYABFASA-N 1 0 242.322 2.432 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN(CC)C2CC2)cc1 ZINC000289361228 353626500 /nfs/dbraw/zinc/62/65/00/353626500.db2.gz YRTVNGSCKYQFAV-UHFFFAOYSA-N 1 0 242.366 2.242 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2(CCO)CCCC2)cc1 ZINC000289365753 353627129 /nfs/dbraw/zinc/62/71/29/353627129.db2.gz KVSAPEAIOFFVII-UHFFFAOYSA-N 1 0 243.350 2.453 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(C)C ZINC000289399380 353627930 /nfs/dbraw/zinc/62/79/30/353627930.db2.gz OMBBCRWFTARIRD-AWEZNQCLSA-N 1 0 230.286 2.445 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)[C@H]2C[C@@H](OC)C2)cc1 ZINC000289537662 353631192 /nfs/dbraw/zinc/63/11/92/353631192.db2.gz QHWHQGUTKVHQQG-GASCZTMLSA-N 1 0 229.323 2.277 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000289543852 353631785 /nfs/dbraw/zinc/63/17/85/353631785.db2.gz QQWOOWYVMQSFBM-VXGBXAGGSA-N 1 0 247.338 2.333 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231644470 353637303 /nfs/dbraw/zinc/63/73/03/353637303.db2.gz KFTIWXSBIXMSJK-JTQLQIEISA-N 1 0 246.310 2.072 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC000289710365 353637459 /nfs/dbraw/zinc/63/74/59/353637459.db2.gz JBMYERQJJFDDLB-CABCVRRESA-N 1 0 233.355 2.453 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000289823086 353639666 /nfs/dbraw/zinc/63/96/66/353639666.db2.gz PBQSRWAQTYOYCU-ZFWWWQNUSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000289835042 353639893 /nfs/dbraw/zinc/63/98/93/353639893.db2.gz PNKFTDZERDCUDT-GXSJLCMTSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000289884027 353641303 /nfs/dbraw/zinc/64/13/03/353641303.db2.gz SEBUVRITEJZYCK-WFASDCNBSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000289884022 353641610 /nfs/dbraw/zinc/64/16/10/353641610.db2.gz SEBUVRITEJZYCK-SWLSCSKDSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000289935729 353642850 /nfs/dbraw/zinc/64/28/50/353642850.db2.gz VRVGRJZWZFBZSW-NXEZZACHSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(c2ccc(F)cc2)C1 ZINC000289952076 353644093 /nfs/dbraw/zinc/64/40/93/353644093.db2.gz WLSWPPPQLQPKPO-QRMWWUJWSA-N 1 0 235.302 2.208 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](COC)C2)cc1 ZINC000290071037 353646927 /nfs/dbraw/zinc/64/69/27/353646927.db2.gz QAINEDFCOSPLII-OAHLLOKOSA-N 1 0 229.323 2.136 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](COC)C2)cc1 ZINC000290071032 353647327 /nfs/dbraw/zinc/64/73/27/353647327.db2.gz QAINEDFCOSPLII-HNNXBMFYSA-N 1 0 229.323 2.136 20 30 BEEDRO C#CCSCC[NH2+]CCCc1cnccc1C ZINC000290200672 353651403 /nfs/dbraw/zinc/65/14/03/353651403.db2.gz CXSVGSDTTBNFGD-UHFFFAOYSA-N 1 0 248.395 2.279 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnn(C=C)c1 ZINC000193983661 353607974 /nfs/dbraw/zinc/60/79/74/353607974.db2.gz QJJOCOUZCZIHOZ-UHFFFAOYSA-N 1 0 205.305 2.382 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(CC=C)c(O)c(OC)c1 ZINC000289334953 353612741 /nfs/dbraw/zinc/61/27/41/353612741.db2.gz HCMAQJDBZATUMQ-LLVKDONJSA-N 1 0 245.322 2.241 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(CC=C)c(O)c(OC)c1 ZINC000289334955 353613057 /nfs/dbraw/zinc/61/30/57/353613057.db2.gz HCMAQJDBZATUMQ-NSHDSACASA-N 1 0 245.322 2.241 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000289358565 353614348 /nfs/dbraw/zinc/61/43/48/353614348.db2.gz KBSHHLJGZZUBIU-AWEZNQCLSA-N 1 0 212.296 2.306 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2c(cccc2OC)C1 ZINC000289081156 353617739 /nfs/dbraw/zinc/61/77/39/353617739.db2.gz AXIKNJGZDMKYJR-YPMHNXCESA-N 1 0 229.323 2.164 20 30 BEEDRO CC#CCC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000289114761 353617972 /nfs/dbraw/zinc/61/79/72/353617972.db2.gz WLFLOMFIRLHBQM-UHFFFAOYSA-N 1 0 243.306 2.273 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000289120208 353618348 /nfs/dbraw/zinc/61/83/48/353618348.db2.gz DLIIRYNVHIBZSH-JTQLQIEISA-N 1 0 245.351 2.260 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000289109999 353619090 /nfs/dbraw/zinc/61/90/90/353619090.db2.gz CSENIGFRZGHIDJ-OFQRWUPVSA-N 1 0 242.366 2.118 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c(C)cnn1C ZINC000289221070 353620690 /nfs/dbraw/zinc/62/06/90/353620690.db2.gz XQIJTRWTOXUAPC-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](C)C[C@H](C)O)cc1 ZINC000290487759 353657682 /nfs/dbraw/zinc/65/76/82/353657682.db2.gz VSFXEHZHYVEZTP-OLZOCXBDSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)[C@@H](C)CC)cc1 ZINC000290406287 353662861 /nfs/dbraw/zinc/66/28/61/353662861.db2.gz PVEHPIJWZCLBMU-WFASDCNBSA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@](C)(O)CCC)cc1 ZINC000290436657 353663593 /nfs/dbraw/zinc/66/35/93/353663593.db2.gz RZLKBFADWYMSRH-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)C(C)C ZINC000291042622 353678427 /nfs/dbraw/zinc/67/84/27/353678427.db2.gz LHEZMMXAUGMASD-SNVBAGLBSA-N 1 0 241.285 2.105 20 30 BEEDRO CC(C)(C)C[N@H+](CCCO)CC1(C#N)CC1 ZINC000343321426 353682776 /nfs/dbraw/zinc/68/27/76/353682776.db2.gz NGLMCCZBKLQEMW-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO Cc1cnc(CNCc2ccc(CC#N)cc2)o1 ZINC000399022346 353694536 /nfs/dbraw/zinc/69/45/36/353694536.db2.gz HXGBRTIANGLXDT-UHFFFAOYSA-N 1 0 241.294 2.339 20 30 BEEDRO CC(C)OCCC[N@H+](C)CC1(C#N)CC1 ZINC000343316545 353654777 /nfs/dbraw/zinc/65/47/77/353654777.db2.gz SSLWSQCZRQRXLS-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO CC#CCC[N@H+](C)Cc1cnc(C)s1 ZINC000184980164 353733652 /nfs/dbraw/zinc/73/36/52/353733652.db2.gz UUPSEKHVHSVMGZ-UHFFFAOYSA-N 1 0 208.330 2.297 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000291905175 353702150 /nfs/dbraw/zinc/70/21/50/353702150.db2.gz RLWUYOOTKKBEEM-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000320602887 353719906 /nfs/dbraw/zinc/71/99/06/353719906.db2.gz DQICJOPDDYOCJN-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1conc1C ZINC000293167060 353735244 /nfs/dbraw/zinc/73/52/44/353735244.db2.gz GBVRWORRXQZXRS-AAEUAGOBSA-N 1 0 236.315 2.054 20 30 BEEDRO C=CCNC(=O)C[NH2+]C(C)(C)c1ccccc1C ZINC000293095374 353732638 /nfs/dbraw/zinc/73/26/38/353732638.db2.gz XHOWTNJIXPEQHN-UHFFFAOYSA-N 1 0 246.354 2.122 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](OC)C2CC2)cc1 ZINC000293609968 353750559 /nfs/dbraw/zinc/75/05/59/353750559.db2.gz JWSZLABRUZMSHS-OAHLLOKOSA-N 1 0 229.323 2.183 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H](C)c1ccco1 ZINC000293531118 353753529 /nfs/dbraw/zinc/75/35/29/353753529.db2.gz POBNNKRRJMBUOD-LLVKDONJSA-N 1 0 209.289 2.475 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CC[C@@H]2COC)c1 ZINC000293673581 353760588 /nfs/dbraw/zinc/76/05/88/353760588.db2.gz PACXAFCXURDDDF-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[NH+](CC=C)CCO[C@H]1CCCCO1 ZINC000185180570 353770412 /nfs/dbraw/zinc/77/04/12/353770412.db2.gz JFQHGPGXGUDBSG-ZDUSSCGKSA-N 1 0 225.332 2.204 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc2nsnc21 ZINC000293052210 353737103 /nfs/dbraw/zinc/73/71/03/353737103.db2.gz HVVFQUUKJGFDBJ-UHFFFAOYSA-N 1 0 231.324 2.146 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccccc1 ZINC000293386993 353747642 /nfs/dbraw/zinc/74/76/42/353747642.db2.gz GPXVVHYWULIMCH-UHFFFAOYSA-N 1 0 205.301 2.321 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000295229440 353799958 /nfs/dbraw/zinc/79/99/58/353799958.db2.gz OCZIHAWJKRPZSM-AWEZNQCLSA-N 1 0 247.313 2.334 20 30 BEEDRO C[C@H]([N@H+](C)CC#Cc1ccc(F)cc1)C(C)(C)O ZINC000295132483 353802697 /nfs/dbraw/zinc/80/26/97/353802697.db2.gz JYWICFUKJHDKJE-LBPRGKRZSA-N 1 0 249.329 2.268 20 30 BEEDRO C#CCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295413330 353805760 /nfs/dbraw/zinc/80/57/60/353805760.db2.gz SWWKTGWWORSTPS-UHFFFAOYSA-N 1 0 232.302 2.366 20 30 BEEDRO NC(=[NH2+])Nc1nc(CCC2CCCC2)cs1 ZINC000185482104 353811163 /nfs/dbraw/zinc/81/11/63/353811163.db2.gz BSWHEEJFJLGHEL-UHFFFAOYSA-N 1 0 238.360 2.171 20 30 BEEDRO C#CC[N@@H+](C[C@H](Cc1ccccc1)OC)C1CC1 ZINC000295869057 353815755 /nfs/dbraw/zinc/81/57/55/353815755.db2.gz YUSSYUGGMCNAJV-INIZCTEOSA-N 1 0 243.350 2.342 20 30 BEEDRO C#CCN1C[C@@H](c2ccccc2)OC[C@@H]1C ZINC000066853193 353818113 /nfs/dbraw/zinc/81/81/13/353818113.db2.gz JMCQWDPUVKAQDS-JSGCOSHPSA-N 1 0 215.296 2.082 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000294852031 353791286 /nfs/dbraw/zinc/79/12/86/353791286.db2.gz ZYYQQMJIKQRPJP-UHFFFAOYSA-N 1 0 246.310 2.025 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](CCC=C)C1CC1 ZINC000294865176 353791668 /nfs/dbraw/zinc/79/16/68/353791668.db2.gz CGBMXTKBDGPMCJ-HNNXBMFYSA-N 1 0 234.387 2.276 20 30 BEEDRO CC(C)[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H](C)O ZINC000343510481 353923549 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363312319 /nfs/dbraw/zinc/31/23/19/363312319.db2.gz PNOZXUVFNKPWKC-HIFPTAJRSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000336461730 181069612 /nfs/dbraw/zinc/06/96/12/181069612.db2.gz FLSIAACIRNNNSD-NHYWBVRUSA-N 1 0 242.322 2.499 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000449700521 202003844 /nfs/dbraw/zinc/00/38/44/202003844.db2.gz UABWFTBQKPHPPA-JHJVBQTASA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000449699484 202004079 /nfs/dbraw/zinc/00/40/79/202004079.db2.gz QZXOTYDKKLMVQV-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)C1CCSCC1 ZINC000449700701 202004188 /nfs/dbraw/zinc/00/41/88/202004188.db2.gz URNHMUNCIVEXBV-YPMHNXCESA-N 1 0 243.416 2.435 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1sccc1OC ZINC000449700852 202004668 /nfs/dbraw/zinc/00/46/68/202004668.db2.gz UXYXXKIFGPLYDO-JTQLQIEISA-N 1 0 241.356 2.173 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000449698808 202005358 /nfs/dbraw/zinc/00/53/58/202005358.db2.gz OUNIDEYJFAADGP-MGPQQGTHSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CCC1CC1 ZINC000449698160 202005710 /nfs/dbraw/zinc/00/57/10/202005710.db2.gz NBRZLSWRQMTFNS-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000344185062 354177652 /nfs/dbraw/zinc/17/76/52/354177652.db2.gz BSEKTLDTKXSHNV-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449735030 202012179 /nfs/dbraw/zinc/01/21/79/202012179.db2.gz FRCDZQJXSUAFNP-FVCCEPFGSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCOCC(F)F ZINC000231689429 363349696 /nfs/dbraw/zinc/34/96/96/363349696.db2.gz JZBBFGCOABQSOH-SECBINFHSA-N 1 0 207.264 2.212 20 30 BEEDRO Cc1cccc2ncc(C[NH2+]CCCCC#N)n21 ZINC000344288158 354204635 /nfs/dbraw/zinc/20/46/35/354204635.db2.gz WTXNXNMXCFBGNJ-UHFFFAOYSA-N 1 0 242.326 2.426 20 30 BEEDRO N#Cc1cc(Cl)ccc1N[C@H]1CCC[NH2+]C1 ZINC000070950412 181087256 /nfs/dbraw/zinc/08/72/56/181087256.db2.gz ZMAAMNLQUVCHGG-NSHDSACASA-N 1 0 235.718 2.376 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000344299801 354211947 /nfs/dbraw/zinc/21/19/47/354211947.db2.gz FWXAGTZLPSVEGM-OCCSQVGLSA-N 1 0 244.338 2.393 20 30 BEEDRO N#CCCC[NH2+]Cc1cnc(-c2ccccc2)[nH]1 ZINC000344326267 354249137 /nfs/dbraw/zinc/24/91/37/354249137.db2.gz ILYBYRGCPJNXQL-UHFFFAOYSA-N 1 0 240.310 2.470 20 30 BEEDRO C=CCCCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000344484178 354270330 /nfs/dbraw/zinc/27/03/30/354270330.db2.gz QNRYYOUQHWUWPI-UPJWGTAASA-N 1 0 238.375 2.330 20 30 BEEDRO N#Cc1ccc(C[N@@H+](CCO)C2CCCCC2)o1 ZINC000155135046 181102342 /nfs/dbraw/zinc/10/23/42/181102342.db2.gz NNIBCEVQCAPWOA-UHFFFAOYSA-N 1 0 248.326 2.278 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2(O)CCC2)s1 ZINC000283821135 181108048 /nfs/dbraw/zinc/10/80/48/181108048.db2.gz CUJXUECKJQSQSU-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOCC2CC2)c(F)c1 ZINC000227597170 181108116 /nfs/dbraw/zinc/10/81/16/181108116.db2.gz TYDMTRVOVGZFHN-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2CCOCC2)o1 ZINC000336688679 181108211 /nfs/dbraw/zinc/10/82/11/181108211.db2.gz GGDZHWQPOVOSCV-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)c(F)c1 ZINC000038045914 181108313 /nfs/dbraw/zinc/10/83/13/181108313.db2.gz DJMVTNIVHMSUHA-LBPRGKRZSA-N 1 0 248.301 2.214 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC=CCC2)o1 ZINC000135486741 181109463 /nfs/dbraw/zinc/10/94/63/181109463.db2.gz ZULXQYGCHDJFTP-SNVBAGLBSA-N 1 0 202.257 2.350 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCSC2)s1 ZINC000226267002 181110170 /nfs/dbraw/zinc/11/01/70/181110170.db2.gz RBUZZCCTGHWZDA-QMMMGPOBSA-N 1 0 224.354 2.215 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)o1 ZINC000284948063 181103119 /nfs/dbraw/zinc/10/31/19/181103119.db2.gz HLVVPXPCLIFIDW-KBPBESRZSA-N 1 0 246.310 2.295 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000368499101 181103655 /nfs/dbraw/zinc/10/36/55/181103655.db2.gz NCVCCMNHQUKYPE-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H](OC)C2)cc1 ZINC000353856163 354351989 /nfs/dbraw/zinc/35/19/89/354351989.db2.gz PNZWMPOVPFNOHK-OAHLLOKOSA-N 1 0 247.338 2.472 20 30 BEEDRO N#Cc1ccc(CNc2cc3c(c[nH+]2)CCC3)cc1 ZINC000339555470 181107395 /nfs/dbraw/zinc/10/73/95/181107395.db2.gz PGDDETZOWOBHFV-UHFFFAOYSA-N 1 0 249.317 2.476 20 30 BEEDRO N#Cc1ccc(NCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000110793100 181121061 /nfs/dbraw/zinc/12/10/61/181121061.db2.gz IPUONGRHYIACIP-LLVKDONJSA-N 1 0 247.317 2.499 20 30 BEEDRO N#Cc1ccc(NCCC[NH+]2CCCCC2)cn1 ZINC000301561236 181121432 /nfs/dbraw/zinc/12/14/32/181121432.db2.gz IKIRUQHEWPLIJJ-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO N#Cc1ccc(NCC[NH+]2CCCC2)c(F)c1 ZINC000054128684 181121688 /nfs/dbraw/zinc/12/16/88/181121688.db2.gz MEQXTPDOQKMXTP-UHFFFAOYSA-N 1 0 233.290 2.205 20 30 BEEDRO N#Cc1ccc(NCC[N@H+]2CC=CCC2)cc1 ZINC000280356781 181121710 /nfs/dbraw/zinc/12/17/10/181121710.db2.gz XEDLZCUVQGPRNZ-UHFFFAOYSA-N 1 0 227.311 2.232 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000038045917 181113090 /nfs/dbraw/zinc/11/30/90/181113090.db2.gz DXKIXHGCPNUQGM-GFCCVEGCSA-N 1 0 248.301 2.214 20 30 BEEDRO N#Cc1ccc(NC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000044502753 181123826 /nfs/dbraw/zinc/12/38/26/181123826.db2.gz GJGXJXGTMCAATO-NSHDSACASA-N 1 0 233.290 2.109 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnc(C)nc1 ZINC000334674586 354417544 /nfs/dbraw/zinc/41/75/44/354417544.db2.gz DBUMEQPVTCMZMA-ZDUSSCGKSA-N 1 0 217.316 2.326 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c1 ZINC000306079903 181137892 /nfs/dbraw/zinc/13/78/92/181137892.db2.gz CFKMZCGMKRBPGN-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c1 ZINC000306079902 181137954 /nfs/dbraw/zinc/13/79/54/181137954.db2.gz CFKMZCGMKRBPGN-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189973815 181138056 /nfs/dbraw/zinc/13/80/56/181138056.db2.gz NOXYIQDQAKNWPH-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1 ZINC000352706354 181138140 /nfs/dbraw/zinc/13/81/40/181138140.db2.gz MYQDGYKERZDILZ-HNNXBMFYSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000038043824 181138172 /nfs/dbraw/zinc/13/81/72/181138172.db2.gz NVYIUVUTGXZFJA-AWEZNQCLSA-N 1 0 230.311 2.074 20 30 BEEDRO N#Cc1cccc(C[NH2+]Cc2ccncc2)c1 ZINC000020139774 181138439 /nfs/dbraw/zinc/13/84/39/181138439.db2.gz HHNVFPFYBDWAEP-UHFFFAOYSA-N 1 0 223.279 2.243 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000050269178 181138452 /nfs/dbraw/zinc/13/84/52/181138452.db2.gz HFHNLGGKDCLMIO-AWEZNQCLSA-N 1 0 228.295 2.341 20 30 BEEDRO N#CCCN1CCC[C@H](c2nccs2)C1 ZINC000334735228 354536016 /nfs/dbraw/zinc/53/60/16/354536016.db2.gz GPLJAVJBEZVVEY-JTQLQIEISA-N 1 0 221.329 2.236 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000334699522 354491543 /nfs/dbraw/zinc/49/15/43/354491543.db2.gz CFILDMCFUXTGIW-UHFFFAOYSA-N 1 0 205.305 2.165 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1F ZINC000334741086 354544558 /nfs/dbraw/zinc/54/45/58/354544558.db2.gz ZQYGURDVODTXOU-GXFFZTMASA-N 1 0 243.285 2.479 20 30 BEEDRO Cc1cc(C)c(NC(=O)N(C)CCC#N)c(C)n1 ZINC000334712130 354508908 /nfs/dbraw/zinc/50/89/08/354508908.db2.gz LDUCEOMJRRDPQV-UHFFFAOYSA-N 1 0 246.314 2.384 20 30 BEEDRO C=CC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000335099118 354640276 /nfs/dbraw/zinc/64/02/76/354640276.db2.gz UZZQAVWCTWVGMI-ZDUSSCGKSA-N 1 0 221.344 2.454 20 30 BEEDRO CC[N@H+](CCC#N)[C@@H]1CCOC(C)(C)C1 ZINC000351938759 134014780 /nfs/dbraw/zinc/01/47/80/134014780.db2.gz RDBMKAWIWJBJJC-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335104979 354688628 /nfs/dbraw/zinc/68/86/28/354688628.db2.gz VALLVVKAJONGNC-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@H]1C[C@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335104981 354688975 /nfs/dbraw/zinc/68/89/75/354688975.db2.gz VALLVVKAJONGNC-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000345591142 354724464 /nfs/dbraw/zinc/72/44/64/354724464.db2.gz XCWAYHQVPQIWFY-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC1CC[NH+](Cc2c(C)cnn2C)CC1 ZINC000335136278 354785996 /nfs/dbraw/zinc/78/59/96/354785996.db2.gz RCTWOPFJMOHAPT-UHFFFAOYSA-N 1 0 219.332 2.127 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000123099262 358489259 /nfs/dbraw/zinc/48/92/59/358489259.db2.gz IXUDPUSSFHAJHQ-NEPJUHHUSA-N 1 0 245.322 2.348 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345725185 354744246 /nfs/dbraw/zinc/74/42/46/354744246.db2.gz WZHBYQOURCSNQK-OCCSQVGLSA-N 1 0 238.375 2.319 20 30 BEEDRO CCCC[N@H+](CCCO)CCC(C)(C)C#N ZINC000345952497 354818964 /nfs/dbraw/zinc/81/89/64/354818964.db2.gz NTASGEPYGCQIOS-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346292881 354878146 /nfs/dbraw/zinc/87/81/46/354878146.db2.gz JAKKSEJWVKIUBT-UWVGGRQHSA-N 1 0 235.331 2.181 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000234635775 363426197 /nfs/dbraw/zinc/42/61/97/363426197.db2.gz CKYNNBKWDUBNAR-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO COc1cccnc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449750135 202021008 /nfs/dbraw/zinc/02/10/08/202021008.db2.gz SUTWGPGFYZOVST-NEPJUHHUSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000346361830 354918094 /nfs/dbraw/zinc/91/80/94/354918094.db2.gz MENPPUZFTBEMTO-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000351995967 134032985 /nfs/dbraw/zinc/03/29/85/134032985.db2.gz RTKXFZBIYPISAR-STQMWFEESA-N 1 0 237.343 2.023 20 30 BEEDRO C=CCN(Cc1ccc(OC)cc1)CC(C)(C)[NH3+] ZINC000346818941 355124072 /nfs/dbraw/zinc/12/40/72/355124072.db2.gz DBMCASSDNZYVPP-UHFFFAOYSA-N 1 0 248.370 2.421 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](OC)[C@H](C)CC ZINC000639232295 355213929 /nfs/dbraw/zinc/21/39/29/355213929.db2.gz GFRRNJRRWCQFPM-MQYQWHSLSA-N 1 0 241.375 2.371 20 30 BEEDRO CC(C)[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000346964964 355172077 /nfs/dbraw/zinc/17/20/77/355172077.db2.gz NDNXAMHAJBAZQW-GFCCVEGCSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639233318 355215055 /nfs/dbraw/zinc/21/50/55/355215055.db2.gz XZPJRHAJRQVVIL-YTWAJWBKSA-N 1 0 231.286 2.353 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CCc1ccc(C)cc1 ZINC000639238158 355221707 /nfs/dbraw/zinc/22/17/07/355221707.db2.gz HKZNPFPFXLBIGS-HNNXBMFYSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000639237907 355221743 /nfs/dbraw/zinc/22/17/43/355221743.db2.gz BZRHZIWLSDKUGN-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000639239798 355223456 /nfs/dbraw/zinc/22/34/56/355223456.db2.gz LYNSKVBRPRJOOD-BFHYXJOUSA-N 1 0 239.359 2.269 20 30 BEEDRO CC1(C)CCC[NH2+][C@H]1CNc1cnccc1C#N ZINC000232991483 355225839 /nfs/dbraw/zinc/22/58/39/355225839.db2.gz AOVXUEANMBAOIC-ZDUSSCGKSA-N 1 0 244.342 2.143 20 30 BEEDRO N#CCCCCNc1cc(NC2CC2)ncn1 ZINC000413124395 191357947 /nfs/dbraw/zinc/35/79/47/191357947.db2.gz ONMSPDHAEAQNQE-UHFFFAOYSA-N 1 0 231.303 2.157 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H](O)C2)C1 ZINC000623748692 355229288 /nfs/dbraw/zinc/22/92/88/355229288.db2.gz DCLATYOQICEGHO-NDBYEHHHSA-N 1 0 209.333 2.092 20 30 BEEDRO CCc1ccc(CN(C)C[C@H](C)C#N)cn1 ZINC000347590468 355248560 /nfs/dbraw/zinc/24/85/60/355248560.db2.gz OOULPHDFUJNKMT-LLVKDONJSA-N 1 0 217.316 2.235 20 30 BEEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)OCC1CC1 ZINC000414279019 191479605 /nfs/dbraw/zinc/47/96/05/191479605.db2.gz ZKIGAHVICHUEEL-OLZOCXBDSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414343237 191493711 /nfs/dbraw/zinc/49/37/11/191493711.db2.gz NCPPXJXQZAZFFV-SRVKXCTJSA-N 1 0 226.364 2.090 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000639275393 355351404 /nfs/dbraw/zinc/35/14/04/355351404.db2.gz PZGNWMMYBKNBIL-RCWTZXSCSA-N 1 0 231.286 2.211 20 30 BEEDRO COCCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000349802316 355466136 /nfs/dbraw/zinc/46/61/36/355466136.db2.gz NPOYTKDWOMGDLY-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353957574 355470168 /nfs/dbraw/zinc/47/01/68/355470168.db2.gz QMUOQPDVOSJDGN-RQJABVFESA-N 1 0 236.359 2.331 20 30 BEEDRO N#C[C@H]1CCC[C@H]1[NH2+]Cc1cccc2c[nH]nc21 ZINC000335809230 355483593 /nfs/dbraw/zinc/48/35/93/355483593.db2.gz TWAMDTKELGMUSZ-ZWNOBZJWSA-N 1 0 240.310 2.345 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340538009 191645064 /nfs/dbraw/zinc/64/50/64/191645064.db2.gz SPHNLEZWVMYSFE-UPJWGTAASA-N 1 0 241.375 2.371 20 30 BEEDRO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000583562158 355612504 /nfs/dbraw/zinc/61/25/04/355612504.db2.gz CSLCCMPERVXLPN-VXGBXAGGSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639312618 355670676 /nfs/dbraw/zinc/67/06/76/355670676.db2.gz KXBMJYQVEYYISN-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC1([NH2+][C@H](C)[C@@H](C)OC)CCOCC1 ZINC000639317198 355707782 /nfs/dbraw/zinc/70/77/82/355707782.db2.gz ZWGFOJPGCDOQTK-VXGBXAGGSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639316567 355708294 /nfs/dbraw/zinc/70/82/94/355708294.db2.gz NBNLGRMPSWQAPQ-CLLJXQQHSA-N 1 0 209.333 2.215 20 30 BEEDRO C=CCOCCC[NH2+]CC1CCSCC1 ZINC000639318182 355711975 /nfs/dbraw/zinc/71/19/75/355711975.db2.gz XMNVGFXCFHBDKX-UHFFFAOYSA-N 1 0 229.389 2.312 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000639317788 355713049 /nfs/dbraw/zinc/71/30/49/355713049.db2.gz VOKWYIYUZINMSW-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C[C@]12CC[N@H+](CCCC#N)C[C@H]1C2(F)F ZINC000335883069 355673360 /nfs/dbraw/zinc/67/33/60/355673360.db2.gz VIHHPTJABKQEDN-ZJUUUORDSA-N 1 0 214.259 2.267 20 30 BEEDRO C[C@@]12CC[N@H+](CCCC#N)C[C@@H]1C2(F)F ZINC000335883068 355673392 /nfs/dbraw/zinc/67/33/92/355673392.db2.gz VIHHPTJABKQEDN-VHSXEESVSA-N 1 0 214.259 2.267 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CCO1 ZINC000399125865 355748709 /nfs/dbraw/zinc/74/87/09/355748709.db2.gz KBTLTCDMETVMOE-SWLSCSKDSA-N 1 0 244.338 2.410 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC(C)(C)C#N)C[C@H]2C1 ZINC000425348490 191817099 /nfs/dbraw/zinc/81/70/99/191817099.db2.gz YTFZTMYAIOFJMO-MPZDIEGVSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425364239 191824214 /nfs/dbraw/zinc/82/42/14/191824214.db2.gz XGYISHLCMRWHGF-UWVGGRQHSA-N 1 0 217.403 2.389 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccco2)CC1 ZINC000106039451 355768781 /nfs/dbraw/zinc/76/87/81/355768781.db2.gz DJNIIGCUGLJUNK-UHFFFAOYSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CC1CC[NH+](C[C@H](OC)C2CC2)CC1 ZINC000425408209 191844630 /nfs/dbraw/zinc/84/46/30/191844630.db2.gz STKCYWRCZPHFJE-ZDUSSCGKSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]Cc1cnn[n-]1 ZINC000628363432 355848503 /nfs/dbraw/zinc/84/85/03/355848503.db2.gz JYULCJJIPSQKDI-SNVBAGLBSA-N 1 0 208.309 2.029 20 30 BEEDRO CO[C@H](C[NH2+]C[C@H](C#N)CCC#N)CC(C)C ZINC000583615753 355832040 /nfs/dbraw/zinc/83/20/40/355832040.db2.gz OSJRKBLSTPNGBI-STQMWFEESA-N 1 0 237.347 2.081 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000168530405 355878977 /nfs/dbraw/zinc/87/89/77/355878977.db2.gz KJNGJXWDKXMKML-UHFFFAOYSA-N 1 0 223.272 2.040 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000351331140 355980329 /nfs/dbraw/zinc/98/03/29/355980329.db2.gz RLDIKOYHKHZGSC-JSGCOSHPSA-N 1 0 245.326 2.227 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000351472190 355997006 /nfs/dbraw/zinc/99/70/06/355997006.db2.gz OVMPPKNESARORX-MCIONIFRSA-N 1 0 246.358 2.458 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191948297 355947102 /nfs/dbraw/zinc/94/71/02/355947102.db2.gz VMIXDEYKBLYUBS-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192047275 355951280 /nfs/dbraw/zinc/95/12/80/355951280.db2.gz LVVVCBOMAGJYFE-QWHCGFSZSA-N 1 0 235.714 2.393 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192145161 355959041 /nfs/dbraw/zinc/95/90/41/355959041.db2.gz XEEGTLIIOIEROV-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO CCC[N@H+](C)C[C@H]1CCN([C@H](C)CCC#N)C1 ZINC000351224328 355963621 /nfs/dbraw/zinc/96/36/21/355963621.db2.gz KDAQAFSNGHCOBC-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCCCCNC(=O)N[C@@H](C[NH3+])CCCC ZINC000418037783 191957482 /nfs/dbraw/zinc/95/74/82/191957482.db2.gz RHZJPCMCHBGBGF-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO Cc1noc([C@@H]2CCC[N@@H+]([C@H](C)CCC#N)C2)n1 ZINC000351633635 356057139 /nfs/dbraw/zinc/05/71/39/356057139.db2.gz OCQAKVVMNLCDKP-ZYHUDNBSSA-N 1 0 248.330 2.250 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000351597142 356017380 /nfs/dbraw/zinc/01/73/80/356017380.db2.gz UEXMGFBKFQBTRE-KFWWJZLASA-N 1 0 231.339 2.317 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC[C@H]2C2CC2)CCC1 ZINC000418143975 191986749 /nfs/dbraw/zinc/98/67/49/191986749.db2.gz RQEULOXFONBNIV-RYUDHWBXSA-N 1 0 204.317 2.458 20 30 BEEDRO CCOC[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000418143770 191986783 /nfs/dbraw/zinc/98/67/83/191986783.db2.gz QYXHELPTDYPXDT-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO COC1(C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000335912848 356137128 /nfs/dbraw/zinc/13/71/28/356137128.db2.gz CSPBPFMLXUENHL-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)ccc1C#N ZINC000336097836 134080873 /nfs/dbraw/zinc/08/08/73/134080873.db2.gz QZPSBHPGNHPGTL-ABAIWWIYSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000617614932 356184362 /nfs/dbraw/zinc/18/43/62/356184362.db2.gz UKNOVTISAFHVAK-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3cc[nH]n3)CC2)C1 ZINC000330262701 356196173 /nfs/dbraw/zinc/19/61/73/356196173.db2.gz VLKPYWGAVPXDPT-AAEUAGOBSA-N 1 0 244.342 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237.391 2.341 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H]1C ZINC000336611838 134151325 /nfs/dbraw/zinc/15/13/25/134151325.db2.gz FLXRCZAYKZUBIH-BDAKNGLRSA-N 1 0 205.223 2.282 20 30 BEEDRO C[C@H](NCc1ncc[nH]1)c1ccc(C#N)cc1 ZINC000049715063 356657169 /nfs/dbraw/zinc/65/71/69/356657169.db2.gz VVDSRTDRIQTKDE-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cccs2)C1 ZINC000104153926 134159319 /nfs/dbraw/zinc/15/93/19/134159319.db2.gz HTLGFOZHOYMYDA-JTQLQIEISA-N 1 0 237.372 2.295 20 30 BEEDRO C[C@H]1C[NH2+]CCN1CCCCC1(C#N)CCC1 ZINC000675080935 538521681 /nfs/dbraw/zinc/52/16/81/538521681.db2.gz YHYKAHJSCOIZJD-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(COC)o1 ZINC000353175986 134162264 /nfs/dbraw/zinc/16/22/64/134162264.db2.gz UADYUXDPXJCFLM-UHFFFAOYSA-N 1 0 209.289 2.434 20 30 BEEDRO CC(C)OCCC[N@H+](C)CC1(C#N)CCC1 ZINC000450425783 202163613 /nfs/dbraw/zinc/16/36/13/202163613.db2.gz BIUKEHCRYLVYMN-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000354534811 134168943 /nfs/dbraw/zinc/16/89/43/134168943.db2.gz CXUSIYSPRHINNL-RFGFWPKPSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000354534808 134168858 /nfs/dbraw/zinc/16/88/58/134168858.db2.gz CXUSIYSPRHINNL-MQYQWHSLSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000450430159 202165647 /nfs/dbraw/zinc/16/56/47/202165647.db2.gz PMGJTPJDNOMFBD-GFCCVEGCSA-N 1 0 247.404 2.098 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)O1 ZINC000384733232 356734269 /nfs/dbraw/zinc/73/42/69/356734269.db2.gz KDGMUTQWHWDTOY-PTRXPTGYSA-N 1 0 236.340 2.275 20 30 BEEDRO CC[C@H](CCO)C[NH2+]CC(C)(C)CCC#N ZINC000130313716 325037922 /nfs/dbraw/zinc/03/79/22/325037922.db2.gz ZPCSFSCVBQJBIJ-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OCC)co1 ZINC000354651543 134169375 /nfs/dbraw/zinc/16/93/75/134169375.db2.gz CCQNAAMDGAIDFP-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO C=C(C)C[N@H+](CC)CCOC[C@H]1CCCO1 ZINC000152088161 356754662 /nfs/dbraw/zinc/75/46/62/356754662.db2.gz LYIPDQHPEXXCRE-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@H]([NH2+]Cc1cnc[nH]1)c1cccc(C#N)c1 ZINC000088750852 356807312 /nfs/dbraw/zinc/80/73/12/356807312.db2.gz AOKPOHKMPUKNGF-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C=CC[N@@H+](CCc1cnccn1)C(C)(C)C ZINC000639826922 356807523 /nfs/dbraw/zinc/80/75/23/356807523.db2.gz GCSBQTXCBXCPPH-UHFFFAOYSA-N 1 0 219.332 2.306 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000355679626 134174421 /nfs/dbraw/zinc/17/44/21/134174421.db2.gz JWHLWYIOFBGWDN-HNNXBMFYSA-N 1 0 242.322 2.335 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@@H]1CCOC1 ZINC000355764826 134174988 /nfs/dbraw/zinc/17/49/88/134174988.db2.gz ZZPHVMIYCIJSAD-CQSZACIVSA-N 1 0 217.312 2.464 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)cs1 ZINC000193208859 356896210 /nfs/dbraw/zinc/89/62/10/356896210.db2.gz KHNXVRMTORDPSW-VIFPVBQESA-N 1 0 231.748 2.428 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193337347 356900858 /nfs/dbraw/zinc/90/08/58/356900858.db2.gz ZBLVIMKSLQRQOD-USZNOCQGSA-N 1 0 210.321 2.082 20 30 BEEDRO C[N@H+](CC1(C#N)CCC1)[C@H](CO)C(C)(C)C ZINC000450588416 202205723 /nfs/dbraw/zinc/20/57/23/202205723.db2.gz BGCAAHZTFYCREU-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C(C)(C)C ZINC000389583313 356994419 /nfs/dbraw/zinc/99/44/19/356994419.db2.gz ICSXXOQEOOEWDG-SRVKXCTJSA-N 1 0 209.333 2.191 20 30 BEEDRO N#CC1(C[N@@H+](CCO)C2CCCCC2)CCC1 ZINC000450604472 202208369 /nfs/dbraw/zinc/20/83/69/202208369.db2.gz WRNVQHJBPOGTKW-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO CC#CCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000357665128 134184925 /nfs/dbraw/zinc/18/49/25/134184925.db2.gz OAXAUIHKBYWOEW-UHFFFAOYSA-N 1 0 242.366 2.136 20 30 BEEDRO C[C@H](O)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000390616109 357107457 /nfs/dbraw/zinc/10/74/57/357107457.db2.gz GXLZKYZPBXUBAZ-AAEUAGOBSA-N 1 0 218.300 2.002 20 30 BEEDRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000389880419 357059819 /nfs/dbraw/zinc/05/98/19/357059819.db2.gz OAHFBGXJDFLDHA-GRYCIOLGSA-N 1 0 210.321 2.082 20 30 BEEDRO COCC1CCC([NH2+]CC2(C#N)CC2)CC1 ZINC000582341269 357082343 /nfs/dbraw/zinc/08/23/43/357082343.db2.gz OLZXWLCDKTWZHF-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000582371144 357114047 /nfs/dbraw/zinc/11/40/47/357114047.db2.gz OKHFHWCECCECNA-GXTWGEPZSA-N 1 0 249.358 2.097 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000390815247 357117447 /nfs/dbraw/zinc/11/74/47/357117447.db2.gz IYLNYDODVNCSLB-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CC2=CCCOC2)C1 ZINC000628405281 357199427 /nfs/dbraw/zinc/19/94/27/357199427.db2.gz IAWOMTNTCSHZRY-LBPRGKRZSA-N 1 0 207.317 2.231 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(COC)on2)C1 ZINC000628406818 357200515 /nfs/dbraw/zinc/20/05/15/357200515.db2.gz RLWYDIMEYPDZQL-LLVKDONJSA-N 1 0 236.315 2.219 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC1 ZINC000358778595 134192419 /nfs/dbraw/zinc/19/24/19/134192419.db2.gz HNUHJHYMNVVGHQ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000393462711 357310140 /nfs/dbraw/zinc/31/01/40/357310140.db2.gz ALCGWWZKNURIRP-RNJOBUHISA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000393783088 357299615 /nfs/dbraw/zinc/29/96/15/357299615.db2.gz WUPMCFCVUVOSGR-QWRGUYRKSA-N 1 0 224.373 2.410 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000393827639 357302044 /nfs/dbraw/zinc/30/20/44/357302044.db2.gz GXQNWIAYKBDWQS-ZIAGYGMSSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)COc1ccccc1 ZINC000393827634 357302053 /nfs/dbraw/zinc/30/20/53/357302053.db2.gz GXQNWIAYKBDWQS-KGLIPLIRSA-N 1 0 249.354 2.371 20 30 BEEDRO CC(C)(C)C[N@H+](CCO)CCC(C)(C)C#N ZINC000610211554 357277867 /nfs/dbraw/zinc/27/78/67/357277867.db2.gz DTGFTOBMDGSYMR-UHFFFAOYSA-N 1 0 226.364 2.267 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)nc1 ZINC000584359120 357329610 /nfs/dbraw/zinc/32/96/10/357329610.db2.gz RLRNHLNFVBPOJQ-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C[C@H]1CCC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610270913 357404607 /nfs/dbraw/zinc/40/46/07/357404607.db2.gz IOACAPGAWBDDIN-JSGCOSHPSA-N 1 0 235.375 2.143 20 30 BEEDRO COc1cccc(C[NH+]2CCC(CC#N)CC2)n1 ZINC000397196973 357507190 /nfs/dbraw/zinc/50/71/90/357507190.db2.gz SNWXOIVWJNSMSH-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO CO[C@](C)(C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000361007601 134202662 /nfs/dbraw/zinc/20/26/62/134202662.db2.gz ADIWYTPZDAWIEB-MRVWCRGKSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@H](CC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000583087135 357469154 /nfs/dbraw/zinc/46/91/54/357469154.db2.gz KAPNIOQBTUAVKC-JHJVBQTASA-N 1 0 246.354 2.198 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]CCC(C)(C)C#N ZINC000230892661 357578184 /nfs/dbraw/zinc/57/81/84/357578184.db2.gz QZZJOHHEOXWOMY-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO C=C(Br)CN1CCC[C@@](C)(O)CC1 ZINC000230377205 357531265 /nfs/dbraw/zinc/53/12/65/357531265.db2.gz OGOGTYNPXZLSHS-SNVBAGLBSA-N 1 0 248.164 2.132 20 30 BEEDRO CC#CCCCC(=O)NCC[N@@H+](CC)C(C)C ZINC000362166114 134209228 /nfs/dbraw/zinc/20/92/28/134209228.db2.gz YSRRUYCXGISPJP-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C[C@H]1CC[N@H+](CCCC(C)(C)C#N)[C@@H]1CO ZINC000189696922 357657966 /nfs/dbraw/zinc/65/79/66/357657966.db2.gz CJIPOLMNCOMUGZ-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000232527289 357662749 /nfs/dbraw/zinc/66/27/49/357662749.db2.gz OIYIONJPOPWWBT-RYUDHWBXSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@@H](CO)C1 ZINC000232529810 357663911 /nfs/dbraw/zinc/66/39/11/357663911.db2.gz FJSHRBQUKAXFFW-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000232532891 357664452 /nfs/dbraw/zinc/66/44/52/357664452.db2.gz HYKFXKSJUFRNOK-STQMWFEESA-N 1 0 236.359 2.473 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000367406578 134215408 /nfs/dbraw/zinc/21/54/08/134215408.db2.gz WHSSNUDKHWDODG-UONOGXRCSA-N 1 0 236.359 2.429 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000368455910 134218815 /nfs/dbraw/zinc/21/88/15/134218815.db2.gz VHVQISNRLOULAE-UONOGXRCSA-N 1 0 245.370 2.449 20 30 BEEDRO C[NH2+]CCS[C@H](C#N)C1CCCCC1 ZINC000583261606 357747020 /nfs/dbraw/zinc/74/70/20/357747020.db2.gz WKRYMZZAOQGEQG-LLVKDONJSA-N 1 0 212.362 2.411 20 30 BEEDRO C[NH2+]CCS[C@@H](C#N)C1CCCCC1 ZINC000583261607 357747444 /nfs/dbraw/zinc/74/74/44/357747444.db2.gz WKRYMZZAOQGEQG-NSHDSACASA-N 1 0 212.362 2.411 20 30 BEEDRO C=CC[N@H+](CCOC)CCC(=O)c1ccccc1 ZINC000191082954 357748488 /nfs/dbraw/zinc/74/84/88/357748488.db2.gz VMGFKSOBHSCQSD-UHFFFAOYSA-N 1 0 247.338 2.394 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cncc(C)c1 ZINC000191142168 357753662 /nfs/dbraw/zinc/75/36/62/357753662.db2.gz NGXVZELOKZNDPI-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000368612271 134219415 /nfs/dbraw/zinc/21/94/15/134219415.db2.gz IWBWOSCGMWQIGX-CYBMUJFWSA-N 1 0 202.301 2.132 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)CC1CCOCC1 ZINC000192141540 357824466 /nfs/dbraw/zinc/82/44/66/357824466.db2.gz ZRHGAYVCNPKYID-UHFFFAOYSA-N 1 0 243.350 2.397 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(N(C)CC)nc1 ZINC000191533946 357784237 /nfs/dbraw/zinc/78/42/37/357784237.db2.gz KAKNITQCMVLLOU-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000234273271 357788620 /nfs/dbraw/zinc/78/86/20/357788620.db2.gz YZOJBIDKFWRJCP-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000370414750 134226010 /nfs/dbraw/zinc/22/60/10/134226010.db2.gz LAGPIVXWSCAQMR-ZDUSSCGKSA-N 1 0 232.331 2.169 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)COC(C)C ZINC000398070799 357828129 /nfs/dbraw/zinc/82/81/29/357828129.db2.gz JDOVHFUDCUWALJ-QWHCGFSZSA-N 1 0 229.364 2.107 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000234797789 357828628 /nfs/dbraw/zinc/82/86/28/357828628.db2.gz MJMTZCVHLXPPNE-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[N@@H+]([C@@H](C)C(=O)OC)C1CCC1 ZINC000192385715 357830578 /nfs/dbraw/zinc/83/05/78/357830578.db2.gz PIRDLDNQQUUPQI-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1(C)C ZINC000234810241 357831764 /nfs/dbraw/zinc/83/17/64/357831764.db2.gz TYXYHUMILXSGQN-LSDHHAIUSA-N 1 0 243.350 2.441 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000192205747 357833736 /nfs/dbraw/zinc/83/37/36/357833736.db2.gz YWLIVTDJCMIDGI-UHFFFAOYSA-N 1 0 204.248 2.315 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(COC)cc1 ZINC000321461211 259473494 /nfs/dbraw/zinc/47/34/94/259473494.db2.gz PADPJOJEKPGHGV-OAHLLOKOSA-N 1 0 249.354 2.250 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000192755197 357850581 /nfs/dbraw/zinc/85/05/81/357850581.db2.gz AEGJIXWKDOKQEA-UHFFFAOYSA-N 1 0 248.351 2.218 20 30 BEEDRO C[C@H](O)[C@H]1CC[N@H+](CCCCC(C)(C)C#N)C1 ZINC000235561679 357880084 /nfs/dbraw/zinc/88/00/84/357880084.db2.gz UPNPELNERMCOKQ-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000398955671 357891432 /nfs/dbraw/zinc/89/14/32/357891432.db2.gz HUTQRDPDGBUIQQ-AWEZNQCLSA-N 1 0 244.338 2.410 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+](CC)CC ZINC000120530242 134229691 /nfs/dbraw/zinc/22/96/91/134229691.db2.gz KKBNSRHIJUUYLO-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C[NH2+]CCSCc1ccc(CC#N)cc1 ZINC000398980548 357892776 /nfs/dbraw/zinc/89/27/76/357892776.db2.gz DHZMQDSEKPLTNP-UHFFFAOYSA-N 1 0 220.341 2.205 20 30 BEEDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000398985638 357892988 /nfs/dbraw/zinc/89/29/88/357892988.db2.gz HTKHBKVEDCHOFN-SMDDNHRTSA-N 1 0 230.311 2.020 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399019614 357894245 /nfs/dbraw/zinc/89/42/45/357894245.db2.gz DPTGPUFZGSAILQ-FZMZJTMJSA-N 1 0 214.312 2.498 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399126180 357896497 /nfs/dbraw/zinc/89/64/97/357896497.db2.gz SHWBLQAIRCZRSJ-LBPRGKRZSA-N 1 0 232.327 2.267 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000584406214 357912496 /nfs/dbraw/zinc/91/24/96/357912496.db2.gz VPBKUROQNAPKHK-AWEZNQCLSA-N 1 0 219.328 2.146 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639938001 357941408 /nfs/dbraw/zinc/94/14/08/357941408.db2.gz IXGRTIAVALFPFH-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000584476954 357993455 /nfs/dbraw/zinc/99/34/55/357993455.db2.gz VNOHOMYVBQZSIT-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(CC#N)CC1 ZINC000584506591 358014587 /nfs/dbraw/zinc/01/45/87/358014587.db2.gz WNLGNACQMSJHFY-GFCCVEGCSA-N 1 0 244.342 2.081 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH+]1CCC2(CC2)CC1 ZINC000378325596 134246037 /nfs/dbraw/zinc/24/60/37/134246037.db2.gz GSGQAPUKAUOBQW-LBPRGKRZSA-N 1 0 217.316 2.306 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000123032622 134242151 /nfs/dbraw/zinc/24/21/51/134242151.db2.gz DHEXQFGIGOVJFM-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cnn(C)c1 ZINC000306116547 134243381 /nfs/dbraw/zinc/24/33/81/134243381.db2.gz ZDAXJQKYKGOKRF-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO C[C@H](CCC#N)SCC1CC[NH2+]CC1 ZINC000584527895 358041288 /nfs/dbraw/zinc/04/12/88/358041288.db2.gz OBZHQKZRUHLRLD-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C/C=C/C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404105482 358051634 /nfs/dbraw/zinc/05/16/34/358051634.db2.gz GLMKBLXSLFSLHS-NSCUHMNNSA-N 1 0 204.248 2.363 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccccc1Cl ZINC000264152086 535390406 /nfs/dbraw/zinc/39/04/06/535390406.db2.gz ZNKBDDKFSKRXTI-UHFFFAOYSA-N 1 0 239.750 2.497 20 30 BEEDRO Cc1ccc(CC[NH2+]C[C@@H](C#N)CCC#N)o1 ZINC000584585816 358100309 /nfs/dbraw/zinc/10/03/09/358100309.db2.gz YVTZBWOVBCZJBR-GFCCVEGCSA-N 1 0 231.299 2.164 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000640096186 358192437 /nfs/dbraw/zinc/19/24/37/358192437.db2.gz FOKUBOAPHAPPPK-AVGNSLFASA-N 1 0 209.333 2.188 20 30 BEEDRO C=CC[N@H+](CC1CCC(=O)CC1)C1CC1 ZINC000450639975 202220996 /nfs/dbraw/zinc/22/09/96/202220996.db2.gz BRZMZSBANUMOHA-UHFFFAOYSA-N 1 0 207.317 2.396 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000610830468 358210870 /nfs/dbraw/zinc/21/08/70/358210870.db2.gz WJJJFOFTIALAHA-TYNCELHUSA-N 1 0 243.354 2.159 20 30 BEEDRO C[C@H]([NH2+][C@H]1CN(C)C[C@H]1C)c1cccc(C#N)c1 ZINC000610830469 358210961 /nfs/dbraw/zinc/21/09/61/358210961.db2.gz WJJJFOFTIALAHA-XUJVJEKNSA-N 1 0 243.354 2.159 20 30 BEEDRO COc1ccc(C[N@H+](C)CCCC#N)cc1OC ZINC000052922928 358248423 /nfs/dbraw/zinc/24/84/23/358248423.db2.gz QEITZUGWFLLDCC-UHFFFAOYSA-N 1 0 248.326 2.439 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(=O)OCC)cn1 ZINC000450705814 202239531 /nfs/dbraw/zinc/23/95/31/202239531.db2.gz XMJRMESCEHUSQU-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C[C@]1([NH2+]CC2(C#N)CCC2)CCO[C@H]1C1CC1 ZINC000450710384 202240911 /nfs/dbraw/zinc/24/09/11/202240911.db2.gz BITWOAOSMQTYOK-STQMWFEESA-N 1 0 234.343 2.227 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000134970945 325385244 /nfs/dbraw/zinc/38/52/44/325385244.db2.gz SHBYCIADSJADRU-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000044537865 358389652 /nfs/dbraw/zinc/38/96/52/358389652.db2.gz MVAMXHYLGUEARP-LBPRGKRZSA-N 1 0 244.342 2.015 20 30 BEEDRO CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000293123394 358410850 /nfs/dbraw/zinc/41/08/50/358410850.db2.gz ZHKONMSHRCRCIB-AWEZNQCLSA-N 1 0 248.326 2.182 20 30 BEEDRO CCCCCCCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000116925127 358451208 /nfs/dbraw/zinc/45/12/08/358451208.db2.gz IBADKPZPDSNWDN-BETUJISGSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000610993341 358421978 /nfs/dbraw/zinc/42/19/78/358421978.db2.gz NMDGMMQYPHJQPU-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160751682 358431356 /nfs/dbraw/zinc/43/13/56/358431356.db2.gz QTEULGURKWWRDV-ABAIWWIYSA-N 1 0 244.338 2.322 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300849358 358435505 /nfs/dbraw/zinc/43/55/05/358435505.db2.gz AXVIAKCBFSTRRN-CYBMUJFWSA-N 1 0 221.344 2.339 20 30 BEEDRO N#CCCCC[N@@H+]1CCC2(C1)CCOCC2 ZINC000303218688 358436404 /nfs/dbraw/zinc/43/64/04/358436404.db2.gz PVHMZMMWYJBZCU-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC(C)(C)CC1 ZINC000127043451 358559096 /nfs/dbraw/zinc/55/90/96/358559096.db2.gz PFLPAFZBEQJELA-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@]1(C)C[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000125196729 358535630 /nfs/dbraw/zinc/53/56/30/358535630.db2.gz JAABBNZYPJKIOY-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H]1CC[N@H+](CCCSCC#N)C1 ZINC000125389397 358538377 /nfs/dbraw/zinc/53/83/77/358538377.db2.gz LDRMNCVUTJARNE-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000130473792 358627597 /nfs/dbraw/zinc/62/75/97/358627597.db2.gz UVTMSUFDNQMVAE-JTQLQIEISA-N 1 0 219.284 2.122 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC(=O)N1CCCCC1 ZINC000130556895 358631594 /nfs/dbraw/zinc/63/15/94/358631594.db2.gz JWNATDXLCGDOEO-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)C[C@H](C)O ZINC000130650786 358638606 /nfs/dbraw/zinc/63/86/06/358638606.db2.gz UHMTZIJKJCQJPD-LBPRGKRZSA-N 1 0 235.327 2.064 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613663334 363613656 /nfs/dbraw/zinc/61/36/56/363613656.db2.gz XHYHTWDIMNRBDH-BZPMIXESSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351252004 366460376 /nfs/dbraw/zinc/46/03/76/366460376.db2.gz CCSYKJIYJPODGL-QWRGUYRKSA-N 1 0 235.331 2.386 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCCCC1 ZINC000052337772 358780317 /nfs/dbraw/zinc/78/03/17/358780317.db2.gz OIWOCQBPZXUNPD-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](O)[C@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000134733795 358803708 /nfs/dbraw/zinc/80/37/08/358803708.db2.gz PHTWGAMTCOPWGY-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO CC1(C)C[C@@H](O)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000295188877 358911102 /nfs/dbraw/zinc/91/11/02/358911102.db2.gz IPCWLARUXHVUEP-NSHDSACASA-N 1 0 248.326 2.134 20 30 BEEDRO C=CCNC(=O)C[N@@H+]([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000060562547 358926976 /nfs/dbraw/zinc/92/69/76/358926976.db2.gz MCLBHWXRLLHCLA-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1cc(C[N@H+]2CC[C@H](C(F)F)C2)ccn1 ZINC000611180049 358927546 /nfs/dbraw/zinc/92/75/46/358927546.db2.gz QKQHAAUPIRAYBS-JTQLQIEISA-N 1 0 237.253 2.040 20 30 BEEDRO CCOC(=O)CCCCC[N@H+](C)C[C@@H](C)C#N ZINC000071293239 359074657 /nfs/dbraw/zinc/07/46/57/359074657.db2.gz XLSDCIGTMRWAMG-LBPRGKRZSA-N 1 0 240.347 2.201 20 30 BEEDRO C[NH+](C)CCSCC#Cc1ccccc1 ZINC000072264329 359086200 /nfs/dbraw/zinc/08/62/00/359086200.db2.gz BLZDXIULVMGQGV-UHFFFAOYSA-N 1 0 219.353 2.333 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000308876434 491139361 /nfs/dbraw/zinc/13/93/61/491139361.db2.gz SIJAJRIOMDWHGA-GMXVVIOVSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450779916 202263113 /nfs/dbraw/zinc/26/31/13/202263113.db2.gz OWCBDWLHOVNITA-GXTWGEPZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)CCSC ZINC000247308560 359211941 /nfs/dbraw/zinc/21/19/41/359211941.db2.gz IDUSKCIVMMDDQI-NEPJUHHUSA-N 1 0 231.405 2.387 20 30 BEEDRO C[C@@H]1COCCC[N@@H+]1CC(C)(C)CCC#N ZINC000611272403 359286336 /nfs/dbraw/zinc/28/63/36/359286336.db2.gz HEMZYQVSWFYFKQ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000290024563 359292607 /nfs/dbraw/zinc/29/26/07/359292607.db2.gz ZWBRMQSHTDLNOD-GWCFXTLKSA-N 1 0 239.746 2.408 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000284963070 359319215 /nfs/dbraw/zinc/31/92/15/359319215.db2.gz FMCMKAFIJZUQCO-SWLSCSKDSA-N 1 0 247.338 2.296 20 30 BEEDRO COCC[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611390344 359357993 /nfs/dbraw/zinc/35/79/93/359357993.db2.gz UESHWYPEOJRAPZ-CQSZACIVSA-N 1 0 230.311 2.172 20 30 BEEDRO C[C@@H](CCO)[NH2+][C@@H]1CCCc2cc(C#N)ccc21 ZINC000611393236 359358778 /nfs/dbraw/zinc/35/87/78/359358778.db2.gz QLENUHLRPGPSEH-XHDPSFHLSA-N 1 0 244.338 2.296 20 30 BEEDRO Cc1nn(C)cc1[C@H]1CCCN1CC1(C#N)CC1 ZINC000611430370 359369592 /nfs/dbraw/zinc/36/95/92/359369592.db2.gz BIXDREKVNIZXHD-CYBMUJFWSA-N 1 0 244.342 2.169 20 30 BEEDRO C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C#N)c1 ZINC000611438871 359371376 /nfs/dbraw/zinc/37/13/76/359371376.db2.gz XQQRBNUHWOVMMV-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO Cc1ccnc([C@H](C)[NH2+]CCCC#N)c1 ZINC000286035416 359350438 /nfs/dbraw/zinc/35/04/38/359350438.db2.gz JMCCZLHHGQCDCA-NSHDSACASA-N 1 0 203.289 2.344 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000308919277 491140279 /nfs/dbraw/zinc/14/02/79/491140279.db2.gz GQVZIIRPOSMNHX-JHJVBQTASA-N 1 0 209.333 2.051 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]1C ZINC000611587358 359399163 /nfs/dbraw/zinc/39/91/63/359399163.db2.gz AXTWSPBWUURCHW-NFAWXSAZSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1cccs1 ZINC000308930636 491140474 /nfs/dbraw/zinc/14/04/74/491140474.db2.gz FFJRBACFKBEGAD-QWRGUYRKSA-N 1 0 225.357 2.206 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000379662267 359575710 /nfs/dbraw/zinc/57/57/10/359575710.db2.gz REOHXBZLEMSTME-YUMQZZPRSA-N 1 0 208.227 2.467 20 30 BEEDRO C[C@H](C1CCC1)[N@H+](C)CCOCCC#N ZINC000325655346 359637108 /nfs/dbraw/zinc/63/71/08/359637108.db2.gz LSNMZPMFPMLVKT-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000309026817 491142579 /nfs/dbraw/zinc/14/25/79/491142579.db2.gz BCHWDQCVESIXSQ-OLZOCXBDSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[N@H+](CCOc1ccccc1)C1CC1 ZINC000274248756 259495449 /nfs/dbraw/zinc/49/54/49/259495449.db2.gz ZCLQRKXCEBQOOS-UHFFFAOYSA-N 1 0 215.296 2.163 20 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C=CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000450929881 202311920 /nfs/dbraw/zinc/31/19/20/202311920.db2.gz KMJDRPFONMOBJQ-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1ncccn1 ZINC000578380757 366547684 /nfs/dbraw/zinc/54/76/84/366547684.db2.gz GNCHEMAFCPURKP-NSHDSACASA-N 1 0 205.305 2.311 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000352220987 366551857 /nfs/dbraw/zinc/55/18/57/366551857.db2.gz KRMQHMYAACMJOR-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CC1(C)CCC[N@@H+]1CCNc1ncccc1C#N ZINC000450948181 202315776 /nfs/dbraw/zinc/31/57/76/202315776.db2.gz DYKMJKCNOXZBPF-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000578428272 366565059 /nfs/dbraw/zinc/56/50/59/366565059.db2.gz VCAFBWCUOMLOST-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO CCC[C@]1([NH2+]CC2(C#N)CCC2)CCOC1 ZINC000450981075 202325805 /nfs/dbraw/zinc/32/58/05/202325805.db2.gz HDRMSEVJLRMJSB-ZDUSSCGKSA-N 1 0 222.332 2.229 20 30 BEEDRO C=C(CC)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000309109299 491145127 /nfs/dbraw/zinc/14/51/27/491145127.db2.gz JEBSLCSVTKAULJ-CYBMUJFWSA-N 1 0 210.365 2.415 20 30 BEEDRO CC(C)[N@H+](CCC(C)(C)C#N)C1COC1 ZINC000451119415 202356605 /nfs/dbraw/zinc/35/66/05/202356605.db2.gz DMAUMYMRPGMIKJ-UHFFFAOYSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451212598 202382145 /nfs/dbraw/zinc/38/21/45/202382145.db2.gz BHBHUTKRKLULKM-GFCCVEGCSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCN1CC[C@H]([NH2+]C2(CC)CCCC2)C1=O ZINC000451278057 202395512 /nfs/dbraw/zinc/39/55/12/202395512.db2.gz UGMROBHVYARGIO-LBPRGKRZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](c2ccccc2)[C@@](F)(CO)C1 ZINC000451255871 202388607 /nfs/dbraw/zinc/38/86/07/202388607.db2.gz DOUHZZQDGDDOKH-CABCVRRESA-N 1 0 249.329 2.363 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CC=C(C)CC1 ZINC000578834225 366654146 /nfs/dbraw/zinc/65/41/46/366654146.db2.gz JFFLUSNRVUXJFC-OLZOCXBDSA-N 1 0 209.333 2.402 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000451497780 202431366 /nfs/dbraw/zinc/43/13/66/202431366.db2.gz KBJPDSQUSXDMGC-UPJWGTAASA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1nc(C)no1)C1CC1 ZINC000089518109 360025064 /nfs/dbraw/zinc/02/50/64/360025064.db2.gz NYJDENRCQUIUAB-LBPRGKRZSA-N 1 0 235.331 2.255 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000090883487 360092595 /nfs/dbraw/zinc/09/25/95/360092595.db2.gz UGXAGTUFQHLKGM-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](CC)CSC ZINC000091098007 360103865 /nfs/dbraw/zinc/10/38/65/360103865.db2.gz FKVOYXCANRUZLB-VXGBXAGGSA-N 1 0 231.405 2.387 20 30 BEEDRO CN1CCC[C@H]1C[N@H+](C)CCCC(C)(C)C#N ZINC000092628578 360186804 /nfs/dbraw/zinc/18/68/04/360186804.db2.gz YQWOMLDJSQBXST-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO CSCC[N@H+](C)Cc1cc(C#N)cs1 ZINC000093509643 360254806 /nfs/dbraw/zinc/25/48/06/360254806.db2.gz BJUXOTZYHHTBGE-UHFFFAOYSA-N 1 0 226.370 2.415 20 30 BEEDRO C=CC1CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000093359180 360236042 /nfs/dbraw/zinc/23/60/42/360236042.db2.gz LIFPEXDYAWXUMP-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(C)nc1CC ZINC000309343399 491148086 /nfs/dbraw/zinc/14/80/86/491148086.db2.gz VWESRKYQYKNBTQ-UHFFFAOYSA-N 1 0 221.348 2.428 20 30 BEEDRO Cc1cc(C#N)cc(NCC[N@@H+](C)C(C)C)n1 ZINC000161042626 360415480 /nfs/dbraw/zinc/41/54/80/360415480.db2.gz VCGVYHQAXLXIDR-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO Cc1cc(C#N)cc(NCCC[NH+]2CCCC2)n1 ZINC000161050037 360416504 /nfs/dbraw/zinc/41/65/04/360416504.db2.gz XIFONSFSHZVAIN-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C=C(C)CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000614177313 363746191 /nfs/dbraw/zinc/74/61/91/363746191.db2.gz PIQQRNQOPBTFRR-AWEZNQCLSA-N 1 0 235.375 2.118 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CC=CCC1 ZINC000578980950 366682458 /nfs/dbraw/zinc/68/24/58/366682458.db2.gz AUBWKAORNZTFOP-NEPJUHHUSA-N 1 0 203.289 2.128 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)[C@@H](C)[C@H](C)O ZINC001641653611 1172281799 /nfs/dbraw/zinc/28/17/99/1172281799.db2.gz RVMFZEZIKSWCSU-KBPBESRZSA-N 1 0 233.355 2.486 20 30 BEEDRO CC[NH+]1CCC(NCc2ccc(C#N)cc2)CC1 ZINC000037978909 360680484 /nfs/dbraw/zinc/68/04/84/360680484.db2.gz PUVQODUTIILEPZ-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@H](O)C(F)F ZINC000449420219 200676873 /nfs/dbraw/zinc/67/68/73/200676873.db2.gz DUYFDENWJPPOCF-VLEAKVRGSA-N 1 0 246.301 2.063 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnn(C(C)C)c1 ZINC000449549173 200690454 /nfs/dbraw/zinc/69/04/54/200690454.db2.gz VIZMGEHKZVCUKC-KGLIPLIRSA-N 1 0 249.358 2.287 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000450859108 219878778 /nfs/dbraw/zinc/87/87/78/219878778.db2.gz MAFJCQYAOQAGLE-YNEHKIRRSA-N 1 0 221.344 2.500 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(F)cc1C ZINC000309625126 491153080 /nfs/dbraw/zinc/15/30/80/491153080.db2.gz FOAMJYIQAQEWQC-ZDUSSCGKSA-N 1 0 223.291 2.161 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](C)NC1 ZINC000629397797 361047605 /nfs/dbraw/zinc/04/76/05/361047605.db2.gz ZXSZECBEBVPKPZ-RNJOBUHISA-N 1 0 210.365 2.317 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000424174238 200874822 /nfs/dbraw/zinc/87/48/22/200874822.db2.gz NZSORJUYXGIJGW-GWCFXTLKSA-N 1 0 248.351 2.300 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000424172969 200875042 /nfs/dbraw/zinc/87/50/42/200875042.db2.gz MKUWDPAKDVBFSN-JSGCOSHPSA-N 1 0 232.327 2.071 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccccc1 ZINC000424174690 200875856 /nfs/dbraw/zinc/87/58/56/200875856.db2.gz OKYFCUGSDZWDDW-KBPBESRZSA-N 1 0 217.312 2.367 20 30 BEEDRO CCc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1 ZINC000424084486 200857431 /nfs/dbraw/zinc/85/74/31/200857431.db2.gz YMQIOPUJNLSCKG-CYBMUJFWSA-N 1 0 245.326 2.209 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C)CCC2CC2)nn1 ZINC000424301093 200904488 /nfs/dbraw/zinc/90/44/88/200904488.db2.gz ZKMUOLTYWWGHHI-LLVKDONJSA-N 1 0 234.347 2.132 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+][C@@H]3CC[C@H](C#N)C3)C[C@H]2C1 ZINC000424324307 200912496 /nfs/dbraw/zinc/91/24/96/200912496.db2.gz JTEZIGHDDIJXGJ-BBZRCZKMSA-N 1 0 248.370 2.472 20 30 BEEDRO CCNC(NCC1(c2ccccc2)CC1)=[NH+]CC ZINC000066242681 361169308 /nfs/dbraw/zinc/16/93/08/361169308.db2.gz ZHXSWBLKHMFQDD-UHFFFAOYSA-N 1 0 245.370 2.293 20 30 BEEDRO CCNC(NCc1cc(C)c(O)c(C)c1)=[NH+]CC ZINC000066245550 361170267 /nfs/dbraw/zinc/17/02/67/361170267.db2.gz RRQZZESGNNWBMG-UHFFFAOYSA-N 1 0 249.358 2.084 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(C)cc1F ZINC000631106870 361181472 /nfs/dbraw/zinc/18/14/72/361181472.db2.gz GBNSZISHFSJPOO-GFCCVEGCSA-N 1 0 237.318 2.408 20 30 BEEDRO C[C@@H]1C[C@@H](NCc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492699 361224539 /nfs/dbraw/zinc/22/45/39/361224539.db2.gz CPIAKABGGVTTSI-PWSUYJOCSA-N 1 0 249.383 2.192 20 30 BEEDRO CC#CC[NH2+][C@H](C)[C@H]1COc2ccccc21 ZINC000160156588 361301861 /nfs/dbraw/zinc/30/18/61/361301861.db2.gz UQYKRMSAPCJBDU-DGCLKSJQSA-N 1 0 215.296 2.164 20 30 BEEDRO C=CCN(CCC#N)CC[NH+]1CCC(C)CC1 ZINC000428852909 201046121 /nfs/dbraw/zinc/04/61/21/201046121.db2.gz VPSRGLNSUZFLLN-UHFFFAOYSA-N 1 0 235.375 2.120 20 30 BEEDRO CCC1(CC)[C@@H]([NH2+]CC2(C#N)CC2)C[C@@H]1OC ZINC000429283523 201091946 /nfs/dbraw/zinc/09/19/46/201091946.db2.gz HFQYFFGSSZKCDK-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1(CO)CCC1 ZINC000429231506 201081663 /nfs/dbraw/zinc/08/16/63/201081663.db2.gz PONRHMNHYSIOHJ-UHFFFAOYSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCC[N@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000429365349 201104788 /nfs/dbraw/zinc/10/47/88/201104788.db2.gz OUQPBNHWRFDUGN-CYBMUJFWSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000429408332 201106647 /nfs/dbraw/zinc/10/66/47/201106647.db2.gz LCXVBADOBYASRR-STQMWFEESA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(CC)C[N@H+](C)CCCNC(=O)C1CCC1 ZINC000429540823 201111713 /nfs/dbraw/zinc/11/17/13/201111713.db2.gz NHWWNJGSIJUHMO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)CCC#N)C1 ZINC000429703014 201126268 /nfs/dbraw/zinc/12/62/68/201126268.db2.gz YLQYIYUNMJNZHL-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000429722498 201128749 /nfs/dbraw/zinc/12/87/49/201128749.db2.gz ZCZQXWPDFVMBBC-AWEZNQCLSA-N 1 0 231.339 2.359 20 30 BEEDRO C=CCN(C)CC[N@H+](CC)CCCCC#N ZINC000429711593 201130623 /nfs/dbraw/zinc/13/06/23/201130623.db2.gz FWFKHOQPHLNKGH-UHFFFAOYSA-N 1 0 223.364 2.120 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000429775117 201132055 /nfs/dbraw/zinc/13/20/55/201132055.db2.gz WCZSWSHDEPGJTQ-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH+]1CCCCC1 ZINC000429858001 201133017 /nfs/dbraw/zinc/13/30/17/201133017.db2.gz HHRGZEUADMWLFC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH+](CC)CC ZINC000429911160 201135817 /nfs/dbraw/zinc/13/58/17/201135817.db2.gz QUBNKPAJHSIBQL-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CC(C)(C)n1cc(C[NH2+]CC2(CC#N)CC2)cn1 ZINC000430072376 201141420 /nfs/dbraw/zinc/14/14/20/201141420.db2.gz ROLYGKYPQZGQLI-UHFFFAOYSA-N 1 0 246.358 2.422 20 30 BEEDRO Cc1cc(C[NH2+]CCC[C@@H](C)O)ccc1C#N ZINC000433189196 201166255 /nfs/dbraw/zinc/16/62/55/201166255.db2.gz NMJVXFWVTDCFFO-GFCCVEGCSA-N 1 0 232.327 2.117 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)C(F)(F)F ZINC000629587235 361476117 /nfs/dbraw/zinc/47/61/17/361476117.db2.gz GZMONJGYKYEVFB-QMMMGPOBSA-N 1 0 225.254 2.102 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(C(=O)OC)CC1 ZINC000188686958 219899212 /nfs/dbraw/zinc/89/92/12/219899212.db2.gz GXDRXWFQFHEACZ-GHMZBOCLSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CCCC[N@@H+](CCO)[C@@H]1CCCSC1 ZINC000433193218 201166142 /nfs/dbraw/zinc/16/61/42/201166142.db2.gz JDBMQMGYRWAERP-GFCCVEGCSA-N 1 0 229.389 2.143 20 30 BEEDRO COCC1(C[N@H+](C)CC(C)(C)C#N)CCC1 ZINC000433314618 201179083 /nfs/dbraw/zinc/17/90/83/201179083.db2.gz VWNFJLPKIJPLJV-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CCOc1ccc2c(c1)CCN(CCC#N)C2 ZINC000433450095 201186001 /nfs/dbraw/zinc/18/60/01/201186001.db2.gz KXAZMGWNMFIHFN-UHFFFAOYSA-N 1 0 230.311 2.357 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1 ZINC000629649968 361546427 /nfs/dbraw/zinc/54/64/27/361546427.db2.gz MOEIGRZOANEHNK-CHWSQXEVSA-N 1 0 210.365 2.258 20 30 BEEDRO CCN(CCC[NH+](C)C)c1nccc(C)c1C#N ZINC000230405703 169828900 /nfs/dbraw/zinc/82/89/00/169828900.db2.gz FZJIQHWIEBHZMU-UHFFFAOYSA-N 1 0 246.358 2.040 20 30 BEEDRO C=C(C)CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000448551203 201223264 /nfs/dbraw/zinc/22/32/64/201223264.db2.gz VNEKLNRQUIZERJ-UPJWGTAASA-N 1 0 238.375 2.330 20 30 BEEDRO C=C(C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000448551053 201224400 /nfs/dbraw/zinc/22/44/00/201224400.db2.gz QSUHFNHTMDQHQZ-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=C(C)c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000629730237 361668943 /nfs/dbraw/zinc/66/89/43/361668943.db2.gz UDNSUQPTKOLCCE-UHFFFAOYSA-N 1 0 216.328 2.125 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000435746670 201284986 /nfs/dbraw/zinc/28/49/86/201284986.db2.gz APZDBSQOLMUMFF-CRWXNKLISA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC(C)(C)COC ZINC000435743657 201286323 /nfs/dbraw/zinc/28/63/23/201286323.db2.gz TYXMCCXHEAGARG-CHWSQXEVSA-N 1 0 241.375 2.230 20 30 BEEDRO CC#CCC[N@@H+](C)C1CCC(OC)CC1 ZINC000155721149 201347185 /nfs/dbraw/zinc/34/71/85/201347185.db2.gz ZSYVVRMQIMPMOJ-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@]1(C)CO ZINC000614406184 363807022 /nfs/dbraw/zinc/80/70/22/363807022.db2.gz VDQDCTZSYILRGC-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO N#CCC[N@H+](CC[C@@H]1CCOC1)CC1CC1 ZINC000438124154 201394315 /nfs/dbraw/zinc/39/43/15/201394315.db2.gz FQORBLGAPCXHMT-CYBMUJFWSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000161274036 363882400 /nfs/dbraw/zinc/88/24/00/363882400.db2.gz DQFMBRRXQYLZIC-ZDUSSCGKSA-N 1 0 205.301 2.060 20 30 BEEDRO C=C[C@H](C(=O)OC)N(C)Cc1cc(C)ccc1C ZINC000619722583 363951641 /nfs/dbraw/zinc/95/16/41/363951641.db2.gz UDQUWAKZSXXILY-CQSZACIVSA-N 1 0 247.338 2.463 20 30 BEEDRO C=C[C@@H](C(=O)OC)N(C)Cc1cc(C)ccc1C ZINC000619722582 363951080 /nfs/dbraw/zinc/95/10/80/363951080.db2.gz UDQUWAKZSXXILY-AWEZNQCLSA-N 1 0 247.338 2.463 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000631712603 364042287 /nfs/dbraw/zinc/04/22/87/364042287.db2.gz WVDCORQZJIBHSR-VXGBXAGGSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H](O)C(F)(F)F ZINC000631717580 364169141 /nfs/dbraw/zinc/16/91/41/364169141.db2.gz GFJJZEMIVRBHOK-QEYWKRMJSA-N 1 0 239.281 2.488 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H](O)C(F)(F)F ZINC000631717579 364169166 /nfs/dbraw/zinc/16/91/66/364169166.db2.gz GFJJZEMIVRBHOK-AXTSPUMRSA-N 1 0 239.281 2.488 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)C1CC1 ZINC000073800453 364237132 /nfs/dbraw/zinc/23/71/32/364237132.db2.gz KABMWVIQQINDOA-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000615001811 364343734 /nfs/dbraw/zinc/34/37/34/364343734.db2.gz JKJLMQDYCXZERP-ZDUSSCGKSA-N 1 0 244.338 2.157 20 30 BEEDRO C=C(Cl)CN[C@H](C)c1cnn(C)c1C ZINC000134586639 364407221 /nfs/dbraw/zinc/40/72/21/364407221.db2.gz OTKCHEWFYYRMMM-MRVPVSSYSA-N 1 0 213.712 2.132 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)CC(=O)OC(C)(C)C ZINC000134635315 364408360 /nfs/dbraw/zinc/40/83/60/364408360.db2.gz ILBFLZJDXILIBF-VHSXEESVSA-N 1 0 213.321 2.271 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC(F)(F)F)o1 ZINC000135488116 364442226 /nfs/dbraw/zinc/44/22/26/364442226.db2.gz QDHVTTKAKRUWIZ-UHFFFAOYSA-N 1 0 218.178 2.193 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000134919462 364419481 /nfs/dbraw/zinc/41/94/81/364419481.db2.gz AVRWMOFWDPZVOB-NEPJUHHUSA-N 1 0 210.365 2.413 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCN1CCCCC1 ZINC000135142627 364428362 /nfs/dbraw/zinc/42/83/62/364428362.db2.gz WFSQNBIPCHWPCB-UHFFFAOYSA-N 1 0 237.391 2.392 20 30 BEEDRO C=CCCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000579553369 366866196 /nfs/dbraw/zinc/86/61/96/366866196.db2.gz SFQNVMUOMWGHLO-UHFFFAOYSA-N 1 0 246.358 2.001 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCC[C@@H]1C ZINC000453351133 202746247 /nfs/dbraw/zinc/74/62/47/202746247.db2.gz JEGQXAUNYPPBHE-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453297089 202730606 /nfs/dbraw/zinc/73/06/06/202730606.db2.gz WGRKPQOTHMBALP-BJDJZHNGSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](COC)C1CCOCC1 ZINC000453305025 202732361 /nfs/dbraw/zinc/73/23/61/202732361.db2.gz GOFRWRKOEDLETL-ZDUSSCGKSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000453389427 202758095 /nfs/dbraw/zinc/75/80/95/202758095.db2.gz CJTYBTPCLMHEJH-NSHDSACASA-N 1 0 219.332 2.272 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(C(C)C)nn1 ZINC000290233265 364668132 /nfs/dbraw/zinc/66/81/32/364668132.db2.gz YPZDSLVOQCOZFU-LLVKDONJSA-N 1 0 222.336 2.303 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253101866 364683326 /nfs/dbraw/zinc/68/33/26/364683326.db2.gz XOLSQUIEQGOSKS-JHJVBQTASA-N 1 0 209.333 2.188 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000289630664 364768599 /nfs/dbraw/zinc/76/85/99/364768599.db2.gz WXKDNKZTTFYIBK-SNVBAGLBSA-N 1 0 220.291 2.003 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000289630661 364768698 /nfs/dbraw/zinc/76/86/98/364768698.db2.gz WXKDNKZTTFYIBK-JTQLQIEISA-N 1 0 220.291 2.003 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(C)(C#N)CC1 ZINC000573566822 364862970 /nfs/dbraw/zinc/86/29/70/364862970.db2.gz FVSSBSXBDQQIGM-LLVKDONJSA-N 1 0 205.305 2.304 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)CC(C)C ZINC000046064512 541380324 /nfs/dbraw/zinc/38/03/24/541380324.db2.gz LQSMSARASSOBCT-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000573489182 364845672 /nfs/dbraw/zinc/84/56/72/364845672.db2.gz HUYOCECSNXALPB-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@H](C)[NH2+][C@@H](CNCCC#N)c1ccco1 ZINC000573913667 364943534 /nfs/dbraw/zinc/94/35/34/364943534.db2.gz JFPUOVDTWXJADT-RYUDHWBXSA-N 1 0 235.331 2.212 20 30 BEEDRO CC[NH+](CC)[C@H](CNCCC#N)c1ccco1 ZINC000573914316 364943707 /nfs/dbraw/zinc/94/37/07/364943707.db2.gz ZZJFGDINNXETHB-GFCCVEGCSA-N 1 0 235.331 2.166 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000574010344 364965330 /nfs/dbraw/zinc/96/53/30/364965330.db2.gz BLQGDRQGHZIQMU-UHFFFAOYSA-N 1 0 231.343 2.499 20 30 BEEDRO CC(C)[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000574018859 364967869 /nfs/dbraw/zinc/96/78/69/364967869.db2.gz UUKQZEMHUQWMES-UHFFFAOYSA-N 1 0 215.300 2.326 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)C(F)(F)F ZINC000574337378 365041049 /nfs/dbraw/zinc/04/10/49/365041049.db2.gz QTLMRRZOZGOCCJ-SFYZADRCSA-N 1 0 208.227 2.467 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCNc2ccccn2)C1 ZINC000442774465 192989898 /nfs/dbraw/zinc/98/98/98/192989898.db2.gz 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BSIZPQKQQTVWFQ-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000574879712 365166365 /nfs/dbraw/zinc/16/63/65/365166365.db2.gz ISBZPKVUOPCZIJ-QWHCGFSZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000574879711 365166443 /nfs/dbraw/zinc/16/64/43/365166443.db2.gz ISBZPKVUOPCZIJ-OLZOCXBDSA-N 1 0 209.333 2.190 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C12CCC2 ZINC000443065853 193012486 /nfs/dbraw/zinc/01/24/86/193012486.db2.gz GMOHKHWMTWJUHQ-NEPJUHHUSA-N 1 0 234.343 2.227 20 30 BEEDRO N#CC1CCC(C[NH2+]CC[C@@H]2CCOC2)CC1 ZINC000443075562 193012560 /nfs/dbraw/zinc/01/25/60/193012560.db2.gz ZQOLAARULKGFOM-JXQTWKCFSA-N 1 0 236.359 2.333 20 30 BEEDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000443782398 193029459 /nfs/dbraw/zinc/02/94/59/193029459.db2.gz BTXHETJVKWFFFE-SUNKGSAMSA-N 1 0 248.326 2.133 20 30 BEEDRO Cc1cc(C[NH2+]C[C@]2(C)CCOC2)ccc1C#N ZINC000444000812 193033036 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/nfs/dbraw/zinc/46/64/88/369466488.db2.gz CHTZAIJMTSRZNI-LBPRGKRZSA-N 1 0 242.322 2.446 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000459731987 203343812 /nfs/dbraw/zinc/34/38/12/203343812.db2.gz NZVJEMWIOUKJSW-YNEHKIRRSA-N 1 0 248.370 2.473 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000459731983 203343912 /nfs/dbraw/zinc/34/39/12/203343912.db2.gz NZVJEMWIOUKJSW-UPJWGTAASA-N 1 0 248.370 2.473 20 30 BEEDRO CC(C)n1nccc1C[NH2+]CC(C)(C)CC#N ZINC000459730118 203345397 /nfs/dbraw/zinc/34/53/97/203345397.db2.gz LMWZIABBNVRDSF-UHFFFAOYSA-N 1 0 234.347 2.493 20 30 BEEDRO COC(=O)C(C)(C)CC[NH2+]CC(C)(C)CC#N ZINC000459727766 203345427 /nfs/dbraw/zinc/34/54/27/203345427.db2.gz HQSCEDXRCQNFHR-UHFFFAOYSA-N 1 0 240.347 2.105 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000619568608 369481380 /nfs/dbraw/zinc/48/13/80/369481380.db2.gz GECUGHPBQNWOIB-QWHCGFSZSA-N 1 0 224.348 2.285 20 30 BEEDRO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000260099066 370973675 /nfs/dbraw/zinc/97/36/75/370973675.db2.gz PWWGLBYWNLWIPU-LBPRGKRZSA-N 1 0 232.331 2.152 20 30 BEEDRO CC[N@@H+]1CCN(c2cccc(F)c2C#N)C[C@H]1C ZINC000250322789 369506681 /nfs/dbraw/zinc/50/66/81/369506681.db2.gz NJAXOEMDZVPCSI-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765992 203360267 /nfs/dbraw/zinc/36/02/67/203360267.db2.gz DMBNYJKQYBDLPJ-FVCCEPFGSA-N 1 0 209.333 2.092 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000459769572 203362660 /nfs/dbraw/zinc/36/26/60/203362660.db2.gz HDOPSEWJKWAEJI-OLZOCXBDSA-N 1 0 248.301 2.354 20 30 BEEDRO C[N@H+](CC1CCOCC1)[C@@H]1CCC[C@H]1C#N ZINC000250494642 369538106 /nfs/dbraw/zinc/53/81/06/369538106.db2.gz YZEYGNBLTSZXKJ-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO C[N@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[C@H]1C#N ZINC000250370438 369516639 /nfs/dbraw/zinc/51/66/39/369516639.db2.gz HCYMKIWWOAODAV-RWMBFGLXSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CC[C@@H](C)C2(CCC2)C1 ZINC000619720164 369549794 /nfs/dbraw/zinc/54/97/94/369549794.db2.gz JOWFLRMLGWCTJA-VXGBXAGGSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CCC(C)(C(C)C)CC1 ZINC000619721817 369552884 /nfs/dbraw/zinc/55/28/84/369552884.db2.gz FLLYEGTWTYYYTD-GFCCVEGCSA-N 1 0 239.359 2.472 20 30 BEEDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)cc1C#N ZINC000600707039 369558458 /nfs/dbraw/zinc/55/84/58/369558458.db2.gz XCUAMSUMEYIQER-BETUJISGSA-N 1 0 243.354 2.049 20 30 BEEDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1F ZINC000600714474 369559678 /nfs/dbraw/zinc/55/96/78/369559678.db2.gz RZTNLFLEJDCJCL-PKFCDNJMSA-N 1 0 247.317 2.098 20 30 BEEDRO Cc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)cc1C#N ZINC000600707046 369559973 /nfs/dbraw/zinc/55/99/73/369559973.db2.gz XCUAMSUMEYIQER-STQMWFEESA-N 1 0 243.354 2.049 20 30 BEEDRO CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)cc1 ZINC000600714941 369560893 /nfs/dbraw/zinc/56/08/93/369560893.db2.gz VVIXJQMAVDMWDF-NILFDRSVSA-N 1 0 243.354 2.349 20 30 BEEDRO Cc1ccc(CN2CC[C@@H]([NH3+])C[C@H]2C)cc1C#N ZINC000600711093 369561102 /nfs/dbraw/zinc/56/11/02/369561102.db2.gz QXFDDWSWFGUVED-IUODEOHRSA-N 1 0 243.354 2.178 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC000602028829 369738051 /nfs/dbraw/zinc/73/80/51/369738051.db2.gz QNXRTJMCDMJMCJ-HAQNSBGRSA-N 1 0 248.301 2.354 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(F)c2C#N)CO1 ZINC000602027645 369738432 /nfs/dbraw/zinc/73/84/32/369738432.db2.gz HEPPSLKWPSLPOF-NSHDSACASA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(F)c1C#N ZINC000602007777 369733374 /nfs/dbraw/zinc/73/33/74/369733374.db2.gz XQFHBBQSNVCSSZ-KOLCDFICSA-N 1 0 218.275 2.443 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)[C@H](C)O1 ZINC000602016606 369736499 /nfs/dbraw/zinc/73/64/99/369736499.db2.gz HVPGNMJRVZAMAF-BFVZDQMLSA-N 1 0 248.301 2.353 20 30 BEEDRO N#Cc1cccc(CN2CCCCC[C@H]([NH3+])C2)c1 ZINC000602022950 369736699 /nfs/dbraw/zinc/73/66/99/369736699.db2.gz UQZOXTPZCBHZSH-HNNXBMFYSA-N 1 0 243.354 2.262 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000602687647 369839681 /nfs/dbraw/zinc/83/96/81/369839681.db2.gz OVKZOJNJWXUDMS-DDTOSNHZSA-N 1 0 227.311 2.231 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000251468568 369821215 /nfs/dbraw/zinc/82/12/15/369821215.db2.gz BFZXSULCOZUWQA-IJLUTSLNSA-N 1 0 210.321 2.226 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](CC)CC ZINC000620309899 369824972 /nfs/dbraw/zinc/82/49/72/369824972.db2.gz UBFDKYLHCCRPKH-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602638606 369832540 /nfs/dbraw/zinc/83/25/40/369832540.db2.gz RJSJNANJKSNDFB-NEPJUHHUSA-N 1 0 229.327 2.479 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602646119 369833200 /nfs/dbraw/zinc/83/32/00/369833200.db2.gz QFIRQKGFIUTSKU-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO COC1([C@@H](C)[NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602689396 369841531 /nfs/dbraw/zinc/84/15/31/369841531.db2.gz GUVQEYMCDQCWBU-LLVKDONJSA-N 1 0 245.326 2.000 20 30 BEEDRO COC1(C[NH2+]Cc2cccc(C#N)n2)CCCC1 ZINC000602674705 369838145 /nfs/dbraw/zinc/83/81/45/369838145.db2.gz ZGJQWMREYMQAJB-UHFFFAOYSA-N 1 0 245.326 2.002 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cccc(C#N)n2)C1 ZINC000602428651 369787245 /nfs/dbraw/zinc/78/72/45/369787245.db2.gz IMWCWNVSSPYVMC-TXEJJXNPSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1cccc(C#N)n1)OC ZINC000602675498 369838656 /nfs/dbraw/zinc/83/86/56/369838656.db2.gz UCBUSIVMYIBCFD-BXUZGUMPSA-N 1 0 247.342 2.104 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)n1 ZINC000602463166 369791740 /nfs/dbraw/zinc/79/17/40/369791740.db2.gz RZCCZNYWEHLHFK-AWEZNQCLSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)n1 ZINC000602463168 369791827 /nfs/dbraw/zinc/79/18/27/369791827.db2.gz RZCCZNYWEHLHFK-CQSZACIVSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1cccc2c1CN(CCC[C@@H]1CCO1)C2 ZINC000602706961 369844165 /nfs/dbraw/zinc/84/41/65/369844165.db2.gz RFDSFOKERWGLSK-CQSZACIVSA-N 1 0 242.322 2.443 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)n1 ZINC000602702225 369844626 /nfs/dbraw/zinc/84/46/26/369844626.db2.gz JSELFKCCOTWUBI-SDDRHHMPSA-N 1 0 227.311 2.231 20 30 BEEDRO CC(C)(C)OCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602709659 369844723 /nfs/dbraw/zinc/84/47/23/369844723.db2.gz HUKXITIBLDOAET-UHFFFAOYSA-N 1 0 247.342 2.248 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)n1 ZINC000602707793 369844864 /nfs/dbraw/zinc/84/48/64/369844864.db2.gz USMNZQYOTBCAPZ-GFCCVEGCSA-N 1 0 249.264 2.184 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602712846 369845904 /nfs/dbraw/zinc/84/59/04/369845904.db2.gz ORGDLLUCDRURBG-SNVBAGLBSA-N 1 0 217.316 2.477 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cccc(C#N)n2)[C@H]1C ZINC000602694820 369842803 /nfs/dbraw/zinc/84/28/03/369842803.db2.gz KIDONLYJEJMUKZ-UTUOFQBUSA-N 1 0 229.327 2.430 20 30 BEEDRO CC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000205532748 369974576 /nfs/dbraw/zinc/97/45/76/369974576.db2.gz LDJKEQUUKIPZKF-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CN(Cc1ccncc1)[C@H]1CCC[C@H]1C#N ZINC000252406873 370022208 /nfs/dbraw/zinc/02/22/08/370022208.db2.gz GWMOYZQOUTWPGP-STQMWFEESA-N 1 0 215.300 2.206 20 30 BEEDRO CCO[C@@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000074991219 370065845 /nfs/dbraw/zinc/06/58/45/370065845.db2.gz QDEWCHPRKJXVPQ-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307946244 370068311 /nfs/dbraw/zinc/06/83/11/370068311.db2.gz JFGVMQPWZFLATJ-MRVPVSSYSA-N 1 0 225.254 2.102 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621159652 370131707 /nfs/dbraw/zinc/13/17/07/370131707.db2.gz OXTCQDJFOZSUEI-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cncc(Cl)c1 ZINC000621299473 370228052 /nfs/dbraw/zinc/22/80/52/370228052.db2.gz DWXJXPMNRUZJIH-NEPJUHHUSA-N 1 0 238.718 2.168 20 30 BEEDRO C=CC[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621325683 370255283 /nfs/dbraw/zinc/25/52/83/370255283.db2.gz GSBQSFCMWHIKQO-UHFFFAOYSA-N 1 0 241.338 2.401 20 30 BEEDRO Cc1ccncc1CCC[NH2+]C[C@H](C)C#N ZINC000309759990 370255557 /nfs/dbraw/zinc/25/55/57/370255557.db2.gz MHOOOWLMASAPIJ-LLVKDONJSA-N 1 0 217.316 2.072 20 30 BEEDRO Cc1ncc(CN(C)C[C@H](C#N)CCC#N)s1 ZINC000076514282 370303998 /nfs/dbraw/zinc/30/39/98/370303998.db2.gz UREJDMKLKUMYJE-NSHDSACASA-N 1 0 248.355 2.327 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000313049949 370565755 /nfs/dbraw/zinc/56/57/55/370565755.db2.gz CMSQOTZPFSYQHH-ZDUSSCGKSA-N 1 0 248.301 2.212 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000313049945 370565838 /nfs/dbraw/zinc/56/58/38/370565838.db2.gz CMSQOTZPFSYQHH-CYBMUJFWSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000313498841 370591627 /nfs/dbraw/zinc/59/16/27/370591627.db2.gz GXSOEKZNODNTPM-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069891009 370993347 /nfs/dbraw/zinc/99/33/47/370993347.db2.gz AFUGIKFOCWFKCO-QWRGUYRKSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000069891011 370993786 /nfs/dbraw/zinc/99/37/86/370993786.db2.gz AFUGIKFOCWFKCO-MNOVXSKESA-N 1 0 210.321 2.226 20 30 BEEDRO CC[NH+]1CCC(Nc2cc(C#N)cc(C)n2)CC1 ZINC000161686857 371012227 /nfs/dbraw/zinc/01/22/27/371012227.db2.gz YCDCIYFFFHPMGU-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@@H]1C[NH3+] ZINC000070175334 371012661 /nfs/dbraw/zinc/01/26/61/371012661.db2.gz BKPYQIPAIATIKN-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@H]1CCCN(Cc2ccccc2C#N)[C@@H]1C[NH3+] ZINC000070177590 371013946 /nfs/dbraw/zinc/01/39/46/371013946.db2.gz AHUUOSGOTCCNLN-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000070573755 371044595 /nfs/dbraw/zinc/04/45/95/371044595.db2.gz PBSAJAUTAQKBRJ-VXGBXAGGSA-N 1 0 243.310 2.014 20 30 BEEDRO CN(Cc1cc(C#N)cs1)Cc1cnccn1 ZINC000092591690 371105210 /nfs/dbraw/zinc/10/52/10/371105210.db2.gz MYNLWYHPEWSKOQ-UHFFFAOYSA-N 1 0 244.323 2.042 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC000389994216 371185128 /nfs/dbraw/zinc/18/51/28/371185128.db2.gz PTGIPJIGTRCXOS-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@H]1CCOC1 ZINC000093840338 371187598 /nfs/dbraw/zinc/18/75/98/371187598.db2.gz CKLQKDJODNNALM-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO N#Cc1cccc(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000093965694 371191261 /nfs/dbraw/zinc/19/12/61/371191261.db2.gz FPTCFHMIFSAEAY-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO CC(C)(C)OCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000390274236 371192772 /nfs/dbraw/zinc/19/27/72/371192772.db2.gz SMIPMRBUFJOJJJ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCc2scnc21 ZINC000623957452 371196088 /nfs/dbraw/zinc/19/60/88/371196088.db2.gz JWRJTJWDIIOLAX-SNVBAGLBSA-N 1 0 238.356 2.313 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCCCCC1 ZINC000390487613 371206465 /nfs/dbraw/zinc/20/64/65/371206465.db2.gz OCQRDGFUNKWFJL-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCCC[C@@H]1CO ZINC000124631032 371209331 /nfs/dbraw/zinc/20/93/31/371209331.db2.gz PQLFKBLLXXZJPP-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CC1(C[NH2+]CCc2cccc(C#N)c2)CC1 ZINC000390549744 371214198 /nfs/dbraw/zinc/21/41/98/371214198.db2.gz OHACZCRMQUEMOB-UHFFFAOYSA-N 1 0 214.312 2.490 20 30 BEEDRO C[C@@H](O)C[NH2+][C@H](CCC#N)c1ccccc1 ZINC000390616111 371218091 /nfs/dbraw/zinc/21/80/91/371218091.db2.gz GXLZKYZPBXUBAZ-DGCLKSJQSA-N 1 0 218.300 2.002 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCCN1C ZINC000624100893 371305909 /nfs/dbraw/zinc/30/59/09/371305909.db2.gz UIGRHHWEVIKLDL-FRRDWIJNSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC001642837564 1172412283 /nfs/dbraw/zinc/41/22/83/1172412283.db2.gz RQEHVAZPEJHVNX-CQSZACIVSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624258926 371444800 /nfs/dbraw/zinc/44/48/00/371444800.db2.gz YHCGPGXJBARAHC-GHMZBOCLSA-N 1 0 220.316 2.478 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000125997702 371470887 /nfs/dbraw/zinc/47/08/87/371470887.db2.gz XDOKQPJOKQBHAP-CHWSQXEVSA-N 1 0 238.375 2.210 20 30 BEEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1C#N ZINC000335178653 371529695 /nfs/dbraw/zinc/52/96/95/371529695.db2.gz NOBAMJVVBPXYJH-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000335177624 371530684 /nfs/dbraw/zinc/53/06/84/371530684.db2.gz JZLIGXNIQDLDOI-PWSUYJOCSA-N 1 0 247.317 2.100 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CCCCC#N)CCO1 ZINC000215739945 371623618 /nfs/dbraw/zinc/62/36/18/371623618.db2.gz QPRDICXYQHGRCM-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO CSC1CC[NH+](Cc2cccc(C#N)n2)CC1 ZINC000602724819 371834736 /nfs/dbraw/zinc/83/47/36/371834736.db2.gz DQKVBMGJYFTNDA-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cccnc1C ZINC001642917786 1172417534 /nfs/dbraw/zinc/41/75/34/1172417534.db2.gz MFQLEIHZMRGMHN-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO CCC[C@@H](CC)[NH2+]C1CCN(CC#N)CC1 ZINC000132747967 371913067 /nfs/dbraw/zinc/91/30/67/371913067.db2.gz LAKKEOQRCGZVKM-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2O)C1 ZINC000631742339 372542669 /nfs/dbraw/zinc/54/26/69/372542669.db2.gz RCJLZDHCKLDINJ-CYDGBPFRSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886429 372683057 /nfs/dbraw/zinc/68/30/57/372683057.db2.gz HBCAXGBUHCIDRL-STQMWFEESA-N 1 0 208.349 2.027 20 30 BEEDRO CC[C@@H](O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000171648141 372719054 /nfs/dbraw/zinc/71/90/54/372719054.db2.gz HNJKJVAQFSEDJO-OAHLLOKOSA-N 1 0 244.338 2.294 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000632472304 372962653 /nfs/dbraw/zinc/96/26/53/372962653.db2.gz LIYFGOSBLFUWIU-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000449161760 205472688 /nfs/dbraw/zinc/47/26/88/205472688.db2.gz PLIGJTFVEKCFHZ-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO CCN(CCC[NH+](CC)CC)C[C@@H](C)C#N ZINC000170794115 205512135 /nfs/dbraw/zinc/51/21/35/205512135.db2.gz BRKRKIZPXOKUPM-ZDUSSCGKSA-N 1 0 225.380 2.200 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000449626163 205495659 /nfs/dbraw/zinc/49/56/59/205495659.db2.gz DCTWJKVYRRGRIT-XCCSTKFXSA-N 1 0 236.359 2.472 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)C1 ZINC001643169394 1172443672 /nfs/dbraw/zinc/44/36/72/1172443672.db2.gz BPQIGZQBUBLTRZ-FQKPHLNHSA-N 1 0 248.370 2.304 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)C1 ZINC001643169395 1172443832 /nfs/dbraw/zinc/44/38/32/1172443832.db2.gz BPQIGZQBUBLTRZ-GZBLMMOJSA-N 1 0 248.370 2.304 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187736715 205814293 /nfs/dbraw/zinc/81/42/93/205814293.db2.gz LIWSLIZYXMNEOS-VHSXEESVSA-N 1 0 236.315 2.069 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000633964236 373861767 /nfs/dbraw/zinc/86/17/67/373861767.db2.gz GUNZQWXNPPJUHX-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000633964237 373862013 /nfs/dbraw/zinc/86/20/13/373862013.db2.gz GUNZQWXNPPJUHX-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[NH+](CC)CC ZINC000633965076 373864027 /nfs/dbraw/zinc/86/40/27/373864027.db2.gz XEXCFMCOWFJRFQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Nc2cc(C)c(C#N)cn2)C1 ZINC001643241020 1172451199 /nfs/dbraw/zinc/45/11/99/1172451199.db2.gz QIIROIKKNFJVNW-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCOCC[NH2+]C[C@]1(C)CCCS1 ZINC000382275940 374226961 /nfs/dbraw/zinc/22/69/61/374226961.db2.gz HWSGGWUEYIVEMH-NSHDSACASA-N 1 0 215.362 2.064 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000289576517 206028114 /nfs/dbraw/zinc/02/81/14/206028114.db2.gz BFXGZBCPRSXKKV-UONOGXRCSA-N 1 0 219.328 2.144 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cc(C)on1 ZINC000289527480 206028271 /nfs/dbraw/zinc/02/82/71/206028271.db2.gz AAFVFXLLQZMQGQ-SNVBAGLBSA-N 1 0 224.329 2.000 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cnn(CC)c1 ZINC000426564783 206051261 /nfs/dbraw/zinc/05/12/61/206051261.db2.gz ILENLQSBFQCIIG-ZDUSSCGKSA-N 1 0 219.332 2.444 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCOC1 ZINC000426564206 206052569 /nfs/dbraw/zinc/05/25/69/206052569.db2.gz CAAJXTKTUKLZAX-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[N@H+]1C[C@@H](C)N(CCC(C)(C)C#N)[C@@H](C)C1 ZINC000459465945 206128179 /nfs/dbraw/zinc/12/81/79/206128179.db2.gz QOVZKNLNXDJGHX-BETUJISGSA-N 1 0 237.391 2.341 20 30 BEEDRO CCOC[C@H]1CCCC[N@@H+]1CC1(C#N)CC1 ZINC000459702881 206138718 /nfs/dbraw/zinc/13/87/18/206138718.db2.gz FZBGGOWSLHIFPF-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000167400986 206145369 /nfs/dbraw/zinc/14/53/69/206145369.db2.gz AFBYAFFLGBFBCA-GFCCVEGCSA-N 1 0 210.365 2.271 20 30 BEEDRO CCC[N@H+](CC)CCNc1nccc(C)c1C#N ZINC000230080795 169124036 /nfs/dbraw/zinc/12/40/36/169124036.db2.gz NEBVSWFQWLEYMX-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO CCC[N@@H+]1CC[C@H](CNc2ccnc(C#N)c2)C1 ZINC000283539067 169207991 /nfs/dbraw/zinc/20/79/91/169207991.db2.gz LQUKFPGFBXAGGZ-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)(C)[NH2+]CCNc1cccc(F)c1C#N ZINC000057839561 166632029 /nfs/dbraw/zinc/63/20/29/166632029.db2.gz VTFYCYWUNMKVQD-UHFFFAOYSA-N 1 0 235.306 2.497 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N[C@H](C)CC ZINC000193174995 259595852 /nfs/dbraw/zinc/59/58/52/259595852.db2.gz YCKBDBPZYJTSJA-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCCO ZINC000059535959 1172546770 /nfs/dbraw/zinc/54/67/70/1172546770.db2.gz NYNYJVBSBUFMRI-CQSZACIVSA-N 1 0 245.407 2.460 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001644370633 1172551234 /nfs/dbraw/zinc/55/12/34/1172551234.db2.gz BKXSBOQOPPPXLZ-CHWSQXEVSA-N 1 0 244.342 2.348 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCCOC(F)F)c1 ZINC000193661484 259608035 /nfs/dbraw/zinc/60/80/35/259608035.db2.gz AUXXISRUDRIZMV-UHFFFAOYSA-N 1 0 240.253 2.277 20 30 BEEDRO C=CC[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001644474744 1172564455 /nfs/dbraw/zinc/56/44/55/1172564455.db2.gz LITQVCUCXMVEMO-RWMBFGLXSA-N 1 0 208.349 2.120 20 30 BEEDRO CCOc1cccc(C[NH2+]CCCC#N)c1O ZINC000273039195 535457930 /nfs/dbraw/zinc/45/79/30/535457930.db2.gz ICUNHBHLRUAIKX-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC001644645677 1172581437 /nfs/dbraw/zinc/58/14/37/1172581437.db2.gz MMCVQUCPGQQVHH-OLZOCXBDSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCC[C@@H]1C(=O)OCC ZINC000183690410 134353099 /nfs/dbraw/zinc/35/30/99/134353099.db2.gz PJBLABROFQUVCU-NWDGAFQWSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000183602700 134354868 /nfs/dbraw/zinc/35/48/68/134354868.db2.gz JTIDHKFURZMGJE-UPJWGTAASA-N 1 0 238.375 2.282 20 30 BEEDRO CC12CC(C[NH+]3CCC(C)(C#N)CC3)(C1)CO2 ZINC001645017691 1172627843 /nfs/dbraw/zinc/62/78/43/1172627843.db2.gz CEWGRCMCMNGBRR-UHFFFAOYSA-N 1 0 234.343 2.181 20 30 BEEDRO CC[NH+](CC)CCCCNc1ncccc1C#N ZINC000065944886 383842766 /nfs/dbraw/zinc/84/27/66/383842766.db2.gz QSUQKMQTDLKBEJ-UHFFFAOYSA-N 1 0 246.358 2.487 20 30 BEEDRO C[C@H](CNc1cccc(C#N)n1)C[NH+]1CCCC1 ZINC000081596118 383864642 /nfs/dbraw/zinc/86/46/42/383864642.db2.gz MDIHJKYHEYXCKK-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1F)C[C@@H]1CCOC1 ZINC000178339028 383912030 /nfs/dbraw/zinc/91/20/30/383912030.db2.gz CUNMDUYJPZLHHI-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@](C)(O)COC ZINC000518476621 383931521 /nfs/dbraw/zinc/93/15/21/383931521.db2.gz XFJAZNNMEOUJRD-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000298745971 383984993 /nfs/dbraw/zinc/98/49/93/383984993.db2.gz CDUVNRJJWIRZGD-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000560239308 383998659 /nfs/dbraw/zinc/99/86/59/383998659.db2.gz KLKUVFWMBBODHN-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CCCO1 ZINC000348195734 383937004 /nfs/dbraw/zinc/93/70/04/383937004.db2.gz XYHGYZLEHASSEC-WFASDCNBSA-N 1 0 244.338 2.410 20 30 BEEDRO C[C@H]([NH2+]C1CC1)c1ccc(OCC#N)cc1 ZINC000037183755 383954546 /nfs/dbraw/zinc/95/45/46/383954546.db2.gz LHUSAEROINUEAK-JTQLQIEISA-N 1 0 216.284 2.402 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)o1)CC1CCC1 ZINC000127795726 383957616 /nfs/dbraw/zinc/95/76/16/383957616.db2.gz IHIFLOSVZRFWSM-UHFFFAOYSA-N 1 0 204.273 2.383 20 30 BEEDRO CCOCC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037269031 383968777 /nfs/dbraw/zinc/96/87/77/383968777.db2.gz VHFYNTANQCOMTH-LBPRGKRZSA-N 1 0 248.326 2.276 20 30 BEEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)o1)C(F)(F)F ZINC000309398206 384020557 /nfs/dbraw/zinc/02/05/57/384020557.db2.gz VUABSLRJHPWVOS-ZETCQYMHSA-N 1 0 232.205 2.439 20 30 BEEDRO CCCC[N@H+](CCO)Cc1cc(C#N)cs1 ZINC000128017191 384084502 /nfs/dbraw/zinc/08/45/02/384084502.db2.gz XGVMVOKWTMTOHD-UHFFFAOYSA-N 1 0 238.356 2.214 20 30 BEEDRO COc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)cc1C#N ZINC000135148480 384065583 /nfs/dbraw/zinc/06/55/83/384065583.db2.gz ZWODZKXOJFLHQG-GWCFXTLKSA-N 1 0 230.311 2.312 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000185755607 134393901 /nfs/dbraw/zinc/39/39/01/134393901.db2.gz WBZYSRYAUPXUNT-WDEREUQCSA-N 1 0 204.273 2.452 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cc(C)ccc1O ZINC000070955723 384142425 /nfs/dbraw/zinc/14/24/25/384142425.db2.gz NFSJYNBLHDEXAG-GFCCVEGCSA-N 1 0 218.300 2.483 20 30 BEEDRO CS[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000128081013 384143427 /nfs/dbraw/zinc/14/34/27/384143427.db2.gz NCJQOMDMFPKEID-MRVPVSSYSA-N 1 0 226.370 2.461 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CCCC)COC ZINC000449519370 384173831 /nfs/dbraw/zinc/17/38/31/384173831.db2.gz MBWDJDDCUGXJER-UPJWGTAASA-N 1 0 227.348 2.125 20 30 BEEDRO N#CC1CC[NH+](Cc2ccc3[nH]cnc3c2)CC1 ZINC000560502480 384175239 /nfs/dbraw/zinc/17/52/39/384175239.db2.gz BXBCAMREWOBZEQ-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO C#CCC[N@@H+](C)CC1(O)CCCCCC1 ZINC000375298344 533042336 /nfs/dbraw/zinc/04/23/36/533042336.db2.gz AZIZSVPKSKNINX-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CC[C@@H]([NH2+]CC1=NOCC1)c1ccccc1 ZINC001645100799 1172634599 /nfs/dbraw/zinc/63/45/99/1172634599.db2.gz UUNARYVSWDUVNF-CQSZACIVSA-N 1 0 228.295 2.117 20 30 BEEDRO CC[C@H](O)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000344484721 384181275 /nfs/dbraw/zinc/18/12/75/384181275.db2.gz ORYHBGLYCQQHFR-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000362452391 533044102 /nfs/dbraw/zinc/04/41/02/533044102.db2.gz QBAYFMPEKRQYNN-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000374837544 533048931 /nfs/dbraw/zinc/04/89/31/533048931.db2.gz QUNXNALTVJYJCX-UHFFFAOYSA-N 1 0 237.734 2.197 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000336529397 384235645 /nfs/dbraw/zinc/23/56/45/384235645.db2.gz BTEBFNMQQALTTP-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO CC#CC[N@@H+](CCOC)Cc1ccccc1 ZINC000158323452 384213747 /nfs/dbraw/zinc/21/37/47/384213747.db2.gz NTDZBLSKNQDRML-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1(COC)CCOCC1 ZINC000560565732 384227783 /nfs/dbraw/zinc/22/77/83/384227783.db2.gz ZVTXCOIBKSDETB-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(F)ccc1F ZINC000082599722 384243718 /nfs/dbraw/zinc/24/37/18/384243718.db2.gz BDHUUTLUBMMAQN-UHFFFAOYSA-N 1 0 210.227 2.358 20 30 BEEDRO CC[NH+](CC)CCSCCCC#N ZINC000082693360 384256526 /nfs/dbraw/zinc/25/65/26/384256526.db2.gz SRKUYMRRBXYHLH-UHFFFAOYSA-N 1 0 200.351 2.365 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H](CO)C(C)(C)C ZINC000134399056 384256704 /nfs/dbraw/zinc/25/67/04/384256704.db2.gz SSHZUYASJSATIM-AWEZNQCLSA-N 1 0 246.354 2.397 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000336736326 384263469 /nfs/dbraw/zinc/26/34/69/384263469.db2.gz IRVKQZKDUXQVMM-LLVKDONJSA-N 1 0 214.312 2.489 20 30 BEEDRO C[C@H](O)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000153366010 384267055 /nfs/dbraw/zinc/26/70/55/384267055.db2.gz RQYRAZVJEBZTEM-NSHDSACASA-N 1 0 237.730 2.004 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000153378740 384267261 /nfs/dbraw/zinc/26/72/61/384267261.db2.gz UCPNRSNEXNTTBO-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cc(C#N)cs1)C(C)C ZINC000336762410 384268304 /nfs/dbraw/zinc/26/83/04/384268304.db2.gz LHFWHDAUZSHKQZ-GFCCVEGCSA-N 1 0 238.356 2.380 20 30 BEEDRO CC1(C)C[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000336774850 384271183 /nfs/dbraw/zinc/27/11/83/384271183.db2.gz ZYAMYFQBVBOZFG-QMMMGPOBSA-N 1 0 221.329 2.150 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1cc(C#N)cs1 ZINC000336767532 384271432 /nfs/dbraw/zinc/27/14/32/384271432.db2.gz SQYHUCABPNGIEH-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO CCSCC[NH2+]CCc1cccc(C#N)c1 ZINC000336782582 384276724 /nfs/dbraw/zinc/27/67/24/384276724.db2.gz YCOAWEDXYKBUBE-UHFFFAOYSA-N 1 0 234.368 2.443 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CC)[C@@H](O)C(F)F ZINC000449420209 384310602 /nfs/dbraw/zinc/31/06/02/384310602.db2.gz DUDNISMHEYWNQG-IVZWLZJFSA-N 1 0 221.291 2.335 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@@H]1CCOC1 ZINC000180160579 384316407 /nfs/dbraw/zinc/31/64/07/384316407.db2.gz RTZWLCAXWWGVMI-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1cn[nH]c1 ZINC000229883458 384283679 /nfs/dbraw/zinc/28/36/79/384283679.db2.gz FHYNMPFRSMLQID-MRVPVSSYSA-N 1 0 232.312 2.194 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCCSCC#N ZINC000174134622 384302712 /nfs/dbraw/zinc/30/27/12/384302712.db2.gz CXEXPDOFHGSDBS-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO C[N@H+](CCOc1ccc(C#N)cc1)C1CCC1 ZINC000075841469 384341222 /nfs/dbraw/zinc/34/12/22/384341222.db2.gz XBRNRKPTVNTKMC-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000174428842 384327901 /nfs/dbraw/zinc/32/79/01/384327901.db2.gz JRLOUILTLPTYCP-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000335620176 384397542 /nfs/dbraw/zinc/39/75/42/384397542.db2.gz NJEIGZATXNWFIT-QWRGUYRKSA-N 1 0 219.288 2.073 20 30 BEEDRO C=CCCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000102324099 384405882 /nfs/dbraw/zinc/40/58/82/384405882.db2.gz ZUXSITYDFNAWAE-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)CCS1 ZINC000572896560 384415706 /nfs/dbraw/zinc/41/57/06/384415706.db2.gz WFPWJFOQNNHZTF-NSHDSACASA-N 1 0 247.367 2.281 20 30 BEEDRO C#CC[N@@H+](CCOC)[C@@H]1CCc2ccccc21 ZINC000490741526 384375098 /nfs/dbraw/zinc/37/50/98/384375098.db2.gz SGMABMDMQHBIJA-OAHLLOKOSA-N 1 0 229.323 2.256 20 30 BEEDRO C[C@@H]1OCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335607979 384386732 /nfs/dbraw/zinc/38/67/32/384386732.db2.gz VVDKDFMPBDAECO-YWPUVAFDSA-N 1 0 222.332 2.083 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(OC)ccc1OC ZINC000229877708 384454670 /nfs/dbraw/zinc/45/46/70/384454670.db2.gz YVCAALDLSPIGMK-LBPRGKRZSA-N 1 0 233.311 2.205 20 30 BEEDRO CCc1cccc(OCCN(C)CCC#N)c1 ZINC000078645314 384455126 /nfs/dbraw/zinc/45/51/26/384455126.db2.gz WDLBUCQOVJXKAB-UHFFFAOYSA-N 1 0 232.327 2.473 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000305740583 384434588 /nfs/dbraw/zinc/43/45/88/384434588.db2.gz YQXNMGPIQARTGZ-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO C#CC[N@@H+](Cc1ccnn1CC)C1CCCC1 ZINC000180103181 384441048 /nfs/dbraw/zinc/44/10/48/384441048.db2.gz RNNWEKQNWZYRLV-UHFFFAOYSA-N 1 0 231.343 2.281 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](CC(C)C)OC ZINC000568181394 384465003 /nfs/dbraw/zinc/46/50/03/384465003.db2.gz RQXLGQGTQYNTMY-RYUDHWBXSA-N 1 0 212.337 2.329 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000180476736 384469234 /nfs/dbraw/zinc/46/92/34/384469234.db2.gz BPEJGUBJJPOLAZ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000647120852 384470823 /nfs/dbraw/zinc/47/08/23/384470823.db2.gz SNVCFNAMCGMKOJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCNC(=O)CN(C)Cc1cc(C)ccc1C ZINC000357963247 384474710 /nfs/dbraw/zinc/47/47/10/384474710.db2.gz IPOSTVFMXWWYFK-UHFFFAOYSA-N 1 0 246.354 2.037 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2C#N)C1 ZINC000285432158 384478979 /nfs/dbraw/zinc/47/89/79/384478979.db2.gz RDSUMCQEIWUMKL-OKILXGFUSA-N 1 0 230.311 2.167 20 30 BEEDRO C[N@H+](CC(=O)Nc1nncs1)C1CCCC1 ZINC000048560798 384496776 /nfs/dbraw/zinc/49/67/76/384496776.db2.gz CVBSPKZCPYTRSL-UHFFFAOYSA-N 1 0 240.332 2.001 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)c1ccccc1OC ZINC000556811208 384497443 /nfs/dbraw/zinc/49/74/43/384497443.db2.gz DEQITCUVNDMVLK-CYBMUJFWSA-N 1 0 235.327 2.284 20 30 BEEDRO C=C(C)CC[N@H+](CC(C)(C)O)C1CCOCC1 ZINC000556811950 384500070 /nfs/dbraw/zinc/50/00/70/384500070.db2.gz PYOATIPZTUVUHR-UHFFFAOYSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCCS(C)(=O)=O ZINC000150885083 384504253 /nfs/dbraw/zinc/50/42/53/384504253.db2.gz ZCDHCSBFOOKADZ-UHFFFAOYSA-N 1 0 247.404 2.099 20 30 BEEDRO C[N@H+](Cc1ccccc1C#N)[C@H](CO)C(C)(C)C ZINC000179083975 384488294 /nfs/dbraw/zinc/48/82/94/384488294.db2.gz KENVVFIFBKDUAZ-CQSZACIVSA-N 1 0 246.354 2.397 20 30 BEEDRO Cc1cc(C[NH+]2CCC(CO)CC2)ccc1C#N ZINC000336099883 384490219 /nfs/dbraw/zinc/49/02/19/384490219.db2.gz QSGSGTLPKFRAOZ-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO Cc1c(C#N)cccc1NC(=O)C[N@@H+](C)C(C)C ZINC000178769183 384513428 /nfs/dbraw/zinc/51/34/28/384513428.db2.gz ZTNXTTBFOMHXJY-UHFFFAOYSA-N 1 0 245.326 2.145 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1COC[C@H]1OC ZINC000647335219 384517270 /nfs/dbraw/zinc/51/72/70/384517270.db2.gz JVXYPBHVVIGFNY-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCc2nccs2)C1 ZINC000309569127 384526742 /nfs/dbraw/zinc/52/67/42/384526742.db2.gz MGCKTIFUQVDQOZ-GHMZBOCLSA-N 1 0 235.356 2.358 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000335866438 384528301 /nfs/dbraw/zinc/52/83/01/384528301.db2.gz LPNQQDFIBQDFPX-GFCCVEGCSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CCCCC[N@@H+]1CC[S@@](=O)C[C@@H](C)C1 ZINC000517855249 384530424 /nfs/dbraw/zinc/53/04/24/384530424.db2.gz DOBKHJALZXNCDU-SWLSCSKDSA-N 1 0 229.389 2.043 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000049578437 384550112 /nfs/dbraw/zinc/55/01/12/384550112.db2.gz WSMAIPUBTRZXCL-UHFFFAOYSA-N 1 0 213.284 2.342 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CN1C1CC1 ZINC000449446918 384554704 /nfs/dbraw/zinc/55/47/04/384554704.db2.gz UOFWOPYYIMBRGI-XDQVBPFNSA-N 1 0 247.386 2.284 20 30 BEEDRO CC[C@H]([NH3+])CN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000423463545 384575478 /nfs/dbraw/zinc/57/54/78/384575478.db2.gz LHOHFEFGEIGQEM-SKDRFNHKSA-N 1 0 235.306 2.085 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C(C)C)C1CCCCC1 ZINC000102768810 384576067 /nfs/dbraw/zinc/57/60/67/384576067.db2.gz LIBAQPFIJOONCO-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CC[C@H](C)c1ccccc1 ZINC000309762203 384588391 /nfs/dbraw/zinc/58/83/91/384588391.db2.gz MVFHVRFCFCEPIW-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000117878004 384608962 /nfs/dbraw/zinc/60/89/62/384608962.db2.gz FUNUOAZSIHFXFH-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(C#N)cc1 ZINC000070624157 384598899 /nfs/dbraw/zinc/59/88/99/384598899.db2.gz WEKAMZUZINMCMX-ZDUSSCGKSA-N 1 0 218.300 2.073 20 30 BEEDRO Cn1ncc2c1CCC[N@H+](CCC(C)(C)C#N)C2 ZINC000334647638 384632391 /nfs/dbraw/zinc/63/23/91/384632391.db2.gz YCOSXVDBLQJUHS-UHFFFAOYSA-N 1 0 246.358 2.108 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCOC1 ZINC000355778915 384664520 /nfs/dbraw/zinc/66/45/20/384664520.db2.gz MYVFKRGDKNUDML-MNOVXSKESA-N 1 0 234.299 2.056 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(SC)CC1 ZINC000309842364 384664553 /nfs/dbraw/zinc/66/45/53/384664553.db2.gz DYPWTPFPTIGBAX-VXGBXAGGSA-N 1 0 241.400 2.453 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000565320119 384636540 /nfs/dbraw/zinc/63/65/40/384636540.db2.gz LUEFIYZXIDQMGK-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000491774723 384646973 /nfs/dbraw/zinc/64/69/73/384646973.db2.gz AULCEPCSFYPBGQ-HIFRSBDPSA-N 1 0 245.366 2.495 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309615354 384647274 /nfs/dbraw/zinc/64/72/74/384647274.db2.gz BMESHXQWLNZWOV-XQQFMLRXSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363354316 384699849 /nfs/dbraw/zinc/69/98/49/384699849.db2.gz ZJXIFERHCSGIRF-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO C[C@@H]1CC[C@H]([NH+]2CCN(CCC#N)CC2)C[C@@H]1C ZINC000601316638 384708959 /nfs/dbraw/zinc/70/89/59/384708959.db2.gz OJRLYBNMXZEZFD-ILXRZTDVSA-N 1 0 249.402 2.342 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(C#N)nc2)C1 ZINC000148296538 384709688 /nfs/dbraw/zinc/70/96/88/384709688.db2.gz IBSKOGDKYVEADW-LBPRGKRZSA-N 1 0 244.342 2.095 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C)CC2CCC2)nn1 ZINC000643902268 384779133 /nfs/dbraw/zinc/77/91/33/384779133.db2.gz RNBHGOHJSGGEKG-LLVKDONJSA-N 1 0 234.347 2.132 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000538828006 384744407 /nfs/dbraw/zinc/74/44/07/384744407.db2.gz FITCCMUVQURYCD-UHFFFAOYSA-N 1 0 238.356 2.477 20 30 BEEDRO C[NH+](C)CCSCc1ccc(C#N)cc1 ZINC000058240531 384755934 /nfs/dbraw/zinc/75/59/34/384755934.db2.gz UQOWLZBIQRMHNX-UHFFFAOYSA-N 1 0 220.341 2.353 20 30 BEEDRO C[NH+](C)CCSCc1ccccc1C#N ZINC000058240527 384756024 /nfs/dbraw/zinc/75/60/24/384756024.db2.gz FMVCZTBSCOVVQK-UHFFFAOYSA-N 1 0 220.341 2.353 20 30 BEEDRO CCN1CCC[N@H+](CCCC(C)(C)C#N)CC1 ZINC000309983368 384765410 /nfs/dbraw/zinc/76/54/10/384765410.db2.gz SLLANICCNGHHOI-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1ccccn1 ZINC000090451017 384822867 /nfs/dbraw/zinc/82/28/67/384822867.db2.gz TXRVFMWLSZCHSL-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000310033798 384800194 /nfs/dbraw/zinc/80/01/94/384800194.db2.gz SFCYAICIDALCSC-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CSCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000309843964 384801621 /nfs/dbraw/zinc/80/16/21/384801621.db2.gz FTDXPFOQPWGHNM-UHFFFAOYSA-N 1 0 232.352 2.500 20 30 BEEDRO CCCC(N)=NOCc1cccc([N+](=O)[O-])c1 ZINC000105605317 384875258 /nfs/dbraw/zinc/87/52/58/384875258.db2.gz BHQFDOMDDSFLKX-UHFFFAOYSA-N 1 0 237.259 2.184 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1cccc(Cl)c1 ZINC000297650271 384875806 /nfs/dbraw/zinc/87/58/06/384875806.db2.gz NDXAGIJFFUCTJZ-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000156470557 384856870 /nfs/dbraw/zinc/85/68/70/384856870.db2.gz VVJWXLZKICLDPV-OLZOCXBDSA-N 1 0 219.332 2.342 20 30 BEEDRO C=CCCCCC[N@H+]1CCCC[C@H]1C(=O)NC ZINC000193327962 384952129 /nfs/dbraw/zinc/95/21/29/384952129.db2.gz AILQGVNGCWAOFW-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC#CC[N@@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000119614305 384908990 /nfs/dbraw/zinc/90/89/90/384908990.db2.gz ZPXGHQGJGXYZCF-UHFFFAOYSA-N 1 0 245.322 2.389 20 30 BEEDRO C=CC[NH2+][C@@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000152053199 384924642 /nfs/dbraw/zinc/92/46/42/384924642.db2.gz INEIFUGJJAIWTC-DGCLKSJQSA-N 1 0 233.311 2.312 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCCC1(F)F ZINC000491463557 384930293 /nfs/dbraw/zinc/93/02/93/384930293.db2.gz NULWMMSFDOSDEH-JTQLQIEISA-N 1 0 201.260 2.377 20 30 BEEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCOCCC#N ZINC000338996728 384965726 /nfs/dbraw/zinc/96/57/26/384965726.db2.gz ITQAFXMBGHFICJ-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]([NH3+])C[C@H](C)Nc1nccc(C#N)c1Cl ZINC000320931234 384968046 /nfs/dbraw/zinc/96/80/46/384968046.db2.gz SJTAJEFCKVDBJI-YUMQZZPRSA-N 1 0 238.722 2.144 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000491475674 384969990 /nfs/dbraw/zinc/96/99/90/384969990.db2.gz YTEFNRNZINOOFZ-LBPRGKRZSA-N 1 0 232.283 2.405 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000167713480 384980127 /nfs/dbraw/zinc/98/01/27/384980127.db2.gz JSNUHBWRNNOODY-LOWDOPEQSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC(N)=O)c1ccccc1 ZINC000644603863 384997283 /nfs/dbraw/zinc/99/72/83/384997283.db2.gz KTFYWHPIKZXQJQ-ZDUSSCGKSA-N 1 0 232.327 2.159 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1csc(C2CC2)n1 ZINC000128539418 385049693 /nfs/dbraw/zinc/04/96/93/385049693.db2.gz ADNJHQQIFAVMEV-UHFFFAOYSA-N 1 0 239.344 2.465 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000157112908 385069375 /nfs/dbraw/zinc/06/93/75/385069375.db2.gz BQWHHDMZCSGZQJ-OBJOEFQTSA-N 1 0 246.354 2.403 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000340496406 385075721 /nfs/dbraw/zinc/07/57/21/385075721.db2.gz NRSYYFJGIGLMRZ-CYZMBNFOSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)O ZINC000644672502 385076460 /nfs/dbraw/zinc/07/64/60/385076460.db2.gz VREZDNZCODHGIF-OCCSQVGLSA-N 1 0 219.328 2.144 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000135509268 385031999 /nfs/dbraw/zinc/03/19/99/385031999.db2.gz FVPGHNOQHPDLKC-GHMZBOCLSA-N 1 0 218.300 2.071 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000135509398 385032211 /nfs/dbraw/zinc/03/22/11/385032211.db2.gz BETUWSOCHDYRDD-GHMZBOCLSA-N 1 0 218.300 2.071 20 30 BEEDRO CC[C@@H]([NH2+]CC#CCOC)[C@@H]1CC1(C)C ZINC000642717507 385033366 /nfs/dbraw/zinc/03/33/66/385033366.db2.gz FHCIGMIQNFFULT-NWDGAFQWSA-N 1 0 209.333 2.051 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)C[C@H]1CCCOC1 ZINC000111162746 385044605 /nfs/dbraw/zinc/04/46/05/385044605.db2.gz FFRDUIIGKFARCZ-CYBMUJFWSA-N 1 0 244.338 2.417 20 30 BEEDRO [NH2+]=C(NCC1(Cc2ccccc2)CC1)NC1CC1 ZINC000151402065 385108366 /nfs/dbraw/zinc/10/83/66/385108366.db2.gz BYEIVBAGQPRGKE-UHFFFAOYSA-N 1 0 243.354 2.076 20 30 BEEDRO C=CCCCCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000564666630 385114884 /nfs/dbraw/zinc/11/48/84/385114884.db2.gz OGUMIZGASJJOCL-UHFFFAOYSA-N 1 0 248.374 2.278 20 30 BEEDRO COc1cc(C[N@@H+](C)C[C@@H](C)OC)ccc1C#N ZINC000289738000 385127071 /nfs/dbraw/zinc/12/70/71/385127071.db2.gz QAVBUWATADKOLW-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO C=CCCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000069052514 385139767 /nfs/dbraw/zinc/13/97/67/385139767.db2.gz IRDWJLGZDGXOMU-UHFFFAOYSA-N 1 0 230.311 2.237 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000177736106 385092432 /nfs/dbraw/zinc/09/24/32/385092432.db2.gz SDVIYJDKGGGNSN-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCC[NH2+]CCCc1cnn(C)c1 ZINC000314432725 385102492 /nfs/dbraw/zinc/10/24/92/385102492.db2.gz YZKYOSGMMMOQBH-UHFFFAOYSA-N 1 0 221.348 2.299 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000491622807 385191388 /nfs/dbraw/zinc/19/13/88/385191388.db2.gz HBELSOPWWYUTHK-CQSZACIVSA-N 1 0 245.370 2.428 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](C)COC)c1ccc(F)cc1 ZINC000491623149 385192083 /nfs/dbraw/zinc/19/20/83/385192083.db2.gz HTBXPUPMYGKAKM-SMDDNHRTSA-N 1 0 235.302 2.372 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2cccc(C#N)c2)CC[C@H]1C ZINC000189266503 385144591 /nfs/dbraw/zinc/14/45/91/385144591.db2.gz OUFJCJGTNDNHOD-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO C=CC[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000304749004 385151829 /nfs/dbraw/zinc/15/18/29/385151829.db2.gz WLZBRORVKIWFKE-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000643348404 385164641 /nfs/dbraw/zinc/16/46/41/385164641.db2.gz AFRDAZXSRMFKNM-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189590433 385164819 /nfs/dbraw/zinc/16/48/19/385164819.db2.gz DUJZQPUHAUDONP-GHMZBOCLSA-N 1 0 219.332 2.421 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1Cc2ccccc2O[C@H](C)C1 ZINC000644784661 385176963 /nfs/dbraw/zinc/17/69/63/385176963.db2.gz DQSBWGIKKDTCTG-OCCSQVGLSA-N 1 0 247.338 2.207 20 30 BEEDRO CCCCOCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597814 385218633 /nfs/dbraw/zinc/21/86/33/385218633.db2.gz RGMZMSJVROBNHO-UHFFFAOYSA-N 1 0 249.358 2.193 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccco2)C1 ZINC000308856381 385220025 /nfs/dbraw/zinc/22/00/25/385220025.db2.gz QEVXSBYMVZYYFI-GHMZBOCLSA-N 1 0 204.273 2.104 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCCC#N)CCO1 ZINC000308860308 385223110 /nfs/dbraw/zinc/22/31/10/385223110.db2.gz RFPKVBXYYKPELO-NEPJUHHUSA-N 1 0 210.321 2.083 20 30 BEEDRO COC[C@@H]([NH2+]CCc1cccc(C#N)c1)C(C)C ZINC000343514709 385226370 /nfs/dbraw/zinc/22/63/70/385226370.db2.gz PNXKGQCPXHBTSG-OAHLLOKOSA-N 1 0 246.354 2.361 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000124013660 385204059 /nfs/dbraw/zinc/20/40/59/385204059.db2.gz JBALDRFIYFOMKJ-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C\c1ccccc1 ZINC000309532471 134446241 /nfs/dbraw/zinc/44/62/41/134446241.db2.gz DIPZMVXJOQNVQW-APFBBLRHSA-N 1 0 217.312 2.226 20 30 BEEDRO N#CCCCC[NH2+]C1Cc2ccccc2C1 ZINC000167261084 385305132 /nfs/dbraw/zinc/30/51/32/385305132.db2.gz LMHQNCUVWOFAIZ-UHFFFAOYSA-N 1 0 214.312 2.437 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CO)c1ccsc1 ZINC000308949769 385312526 /nfs/dbraw/zinc/31/25/26/385312526.db2.gz UOOQYGDRCYDOCT-NSHDSACASA-N 1 0 224.329 2.065 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C ZINC000280193567 385273580 /nfs/dbraw/zinc/27/35/80/385273580.db2.gz HGJHUNSBNQSZLO-GMTAPVOTSA-N 1 0 245.750 2.306 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCC[C@@H](CC)C1 ZINC000308912019 385286440 /nfs/dbraw/zinc/28/64/40/385286440.db2.gz DYSGFPIPRWTMIO-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000308939215 385296942 /nfs/dbraw/zinc/29/69/42/385296942.db2.gz LQXOBNNWMNUWNX-JTQLQIEISA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CC1 ZINC000491279450 385300655 /nfs/dbraw/zinc/30/06/55/385300655.db2.gz YOYILSVRHMVWAR-UHFFFAOYSA-N 1 0 240.306 2.164 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000168266797 385329703 /nfs/dbraw/zinc/32/97/03/385329703.db2.gz QHYJREHODNICRM-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO N#CCCCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000158094587 385341202 /nfs/dbraw/zinc/34/12/02/385341202.db2.gz DUOFGITUHUMTTE-UHFFFAOYSA-N 1 0 222.332 2.325 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)C1C(C)(C)C1(C)C ZINC000309013773 385368617 /nfs/dbraw/zinc/36/86/17/385368617.db2.gz SUGZKZYDSOZOES-UWVGGRQHSA-N 1 0 211.349 2.194 20 30 BEEDRO CCOCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309042486 385387623 /nfs/dbraw/zinc/38/76/23/385387623.db2.gz LYVOWZJRDPLPHF-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000309077341 385398548 /nfs/dbraw/zinc/39/85/48/385398548.db2.gz LYYINRWCFXXFMF-GRYCIOLGSA-N 1 0 229.389 2.043 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(SC)s1 ZINC000309074075 385404382 /nfs/dbraw/zinc/40/43/82/385404382.db2.gz IHSSOLRQHADJEH-VIFPVBQESA-N 1 0 243.397 2.497 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000309087871 385412035 /nfs/dbraw/zinc/41/20/35/385412035.db2.gz ABFLVRCPQMHGFR-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CCC2(C)C)cc1C#N ZINC000290239625 385415196 /nfs/dbraw/zinc/41/51/96/385415196.db2.gz ZGZXNONZECJORU-LBPRGKRZSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000309104021 385420789 /nfs/dbraw/zinc/42/07/89/385420789.db2.gz HBLXMVBYGIOQBE-WUHRBBMRSA-N 1 0 211.349 2.338 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(C)nc(C#N)c1 ZINC000308266221 385445864 /nfs/dbraw/zinc/44/58/64/385445864.db2.gz GJNMRISXFXVKHU-CQSZACIVSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)c1ccncc1 ZINC000309170203 385447618 /nfs/dbraw/zinc/44/76/18/385447618.db2.gz LCJKUNWXNUWSSA-LBPRGKRZSA-N 1 0 203.289 2.426 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc2cccnc2o1 ZINC000491371710 385452540 /nfs/dbraw/zinc/45/25/40/385452540.db2.gz GNIISUCMHKCGFD-NSHDSACASA-N 1 0 214.268 2.329 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911314 385454557 /nfs/dbraw/zinc/45/45/57/385454557.db2.gz GSKZAYCJRKKZRR-CHWSQXEVSA-N 1 0 247.317 2.162 20 30 BEEDRO CN(C)C(=[NH2+])NCCc1csc2ccccc12 ZINC000170907489 385454722 /nfs/dbraw/zinc/45/47/22/385454722.db2.gz QDCGCBMBGZENFM-UHFFFAOYSA-N 1 0 247.367 2.320 20 30 BEEDRO CC(C)COc1ccccc1CNC(=[NH2+])N(C)C ZINC000170908871 385455041 /nfs/dbraw/zinc/45/50/41/385455041.db2.gz RGSMXVAODCAJPS-UHFFFAOYSA-N 1 0 249.358 2.098 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@H]1c1cccc(F)c1)N(C)C ZINC000170911246 385455269 /nfs/dbraw/zinc/45/52/69/385455269.db2.gz ARWXMWWXPYNBAF-STQMWFEESA-N 1 0 249.333 2.161 20 30 BEEDRO CC[C@](C)(O)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000170912668 385456150 /nfs/dbraw/zinc/45/61/50/385456150.db2.gz SIUQUGJOQNEHCY-AWEZNQCLSA-N 1 0 249.358 2.191 20 30 BEEDRO [NH2+]=C(NC[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccccn1 ZINC000170912237 385456449 /nfs/dbraw/zinc/45/64/49/385456449.db2.gz DWDHUZIZKIOSTJ-QJPTWQEYSA-N 1 0 244.342 2.244 20 30 BEEDRO CC[C@@](C)(O)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000170912659 385456642 /nfs/dbraw/zinc/45/66/42/385456642.db2.gz MWNURRNZMBDUCZ-CQSZACIVSA-N 1 0 249.358 2.191 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000182079408 385428329 /nfs/dbraw/zinc/42/83/29/385428329.db2.gz ZXCPVBYDRJJQAE-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO Cc1ncsc1C[NH2+]CC1(CC#N)CC1 ZINC000309141820 385432492 /nfs/dbraw/zinc/43/24/92/385432492.db2.gz HJUHUQMBEPUKQK-UHFFFAOYSA-N 1 0 221.329 2.235 20 30 BEEDRO CCCCOCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309141738 385432750 /nfs/dbraw/zinc/43/27/50/385432750.db2.gz HIRRCLBQPFXNMC-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H]([NH2+]CCCSCC#N)[C@H]1CCCO1 ZINC000182247289 385435915 /nfs/dbraw/zinc/43/59/15/385435915.db2.gz MWWHRQABVXJSLC-VXGBXAGGSA-N 1 0 242.388 2.180 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnccn1 ZINC000309216828 385485926 /nfs/dbraw/zinc/48/59/26/385485926.db2.gz UNKYXJLAKXFSHO-GHMZBOCLSA-N 1 0 205.305 2.482 20 30 BEEDRO C[N@H+](CC(=O)Nc1ccc(C#N)cc1)C(C)(C)C ZINC000382156944 385491315 /nfs/dbraw/zinc/49/13/15/385491315.db2.gz SKNAGNBHVUOWAN-UHFFFAOYSA-N 1 0 245.326 2.227 20 30 BEEDRO Cc1ccnc(N[C@H](C)C[N@H+](C)C(C)C)c1C#N ZINC000290667496 385518360 /nfs/dbraw/zinc/51/83/60/385518360.db2.gz KBUXEMGUQDQGFH-GFCCVEGCSA-N 1 0 246.358 2.402 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444733487 385490342 /nfs/dbraw/zinc/49/03/42/385490342.db2.gz XMBITGQDQIIECQ-WDEREUQCSA-N 1 0 249.276 2.035 20 30 BEEDRO C=C(C)c1cccc([C@@H]2C[NH2+]CCO2)c1 ZINC000258055518 385529089 /nfs/dbraw/zinc/52/90/89/385529089.db2.gz HBHCQZGXSSCVGQ-ZDUSSCGKSA-N 1 0 203.285 2.381 20 30 BEEDRO C=CCC[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000309464504 385594100 /nfs/dbraw/zinc/59/41/00/385594100.db2.gz OYEFTEXYVWTINT-YPMHNXCESA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](CCC)[NH2+]C(C)C ZINC000309465386 385596025 /nfs/dbraw/zinc/59/60/25/385596025.db2.gz PETHJFZISCEOAO-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000308675212 385597079 /nfs/dbraw/zinc/59/70/79/385597079.db2.gz VYWUJYIUGKSFIQ-RKDXNWHRSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000308675209 385597467 /nfs/dbraw/zinc/59/74/67/385597467.db2.gz VYWUJYIUGKSFIQ-DTWKUNHWSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccc(C#N)cc1F ZINC000453406589 385599299 /nfs/dbraw/zinc/59/92/99/385599299.db2.gz LAKSZTPDDOOCPO-OWYVNGRQSA-N 1 0 248.301 2.261 20 30 BEEDRO CCCC(C)(C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594440131 385601315 /nfs/dbraw/zinc/60/13/15/385601315.db2.gz UPCZFAFRHUGJHZ-LLVKDONJSA-N 1 0 239.363 2.093 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309480192 385605467 /nfs/dbraw/zinc/60/54/67/385605467.db2.gz SVPOXDGYXJSZLG-ZFDZMSFRSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000309447880 385587269 /nfs/dbraw/zinc/58/72/69/385587269.db2.gz LTHYOTOZNDGOMC-LPWJVIDDSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1CC([NH2+]CCc2ccc(C#N)cc2)C1 ZINC000595055877 385619237 /nfs/dbraw/zinc/61/92/37/385619237.db2.gz LLPPNYTXTDTDHA-UHFFFAOYSA-N 1 0 214.312 2.489 20 30 BEEDRO CSC[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000336681958 385636485 /nfs/dbraw/zinc/63/64/85/385636485.db2.gz HWTNAVJVBPVLAR-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO CC[C@H](C)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598596434 385622874 /nfs/dbraw/zinc/62/28/74/385622874.db2.gz QHLOKWSFIMRZGE-WDEREUQCSA-N 1 0 212.337 2.017 20 30 BEEDRO C=C(C)CN1CCC([NH2+]C2CC(C)C2)CC1 ZINC000184348873 385623897 /nfs/dbraw/zinc/62/38/97/385623897.db2.gz JFDRXAHENKHHEK-UHFFFAOYSA-N 1 0 222.376 2.415 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOC(F)(F)F)C1 ZINC000336679752 385625743 /nfs/dbraw/zinc/62/57/43/385625743.db2.gz NXYDKVKYRVKBPQ-RKDXNWHRSA-N 1 0 236.237 2.195 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598724827 385628798 /nfs/dbraw/zinc/62/87/98/385628798.db2.gz RKEIGOBBRFYXNK-UPJWGTAASA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)C1CCC(F)CC1 ZINC000595822358 385641316 /nfs/dbraw/zinc/64/13/16/385641316.db2.gz RTBSMMXWSVTUDN-HIFPTAJRSA-N 1 0 242.338 2.423 20 30 BEEDRO N#CCc1ccc(C[NH+]2CCCC2)cc1 ZINC000057661477 385648251 /nfs/dbraw/zinc/64/82/51/385648251.db2.gz JVIHRVRWQQHLBA-UHFFFAOYSA-N 1 0 200.285 2.348 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(F)c1 ZINC000309513299 385650428 /nfs/dbraw/zinc/65/04/28/385650428.db2.gz QINQKZOOQZSJEP-LBPRGKRZSA-N 1 0 223.291 2.100 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000320188245 385665744 /nfs/dbraw/zinc/66/57/44/385665744.db2.gz AUAUDMSUQZWTPW-MCIONIFRSA-N 1 0 241.375 2.107 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(OC)cc(C)n1)C(C)C ZINC000302450741 385654718 /nfs/dbraw/zinc/65/47/18/385654718.db2.gz XJJCFFHAJSUFCB-AWEZNQCLSA-N 1 0 232.327 2.146 20 30 BEEDRO CO[C@](C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309521618 385658717 /nfs/dbraw/zinc/65/87/17/385658717.db2.gz AOGAEXCOKUPJOG-KGYLQXTDSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000264885387 385691849 /nfs/dbraw/zinc/69/18/49/385691849.db2.gz VMDHSXQSDMHREB-SMDDNHRTSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1nnc2ccccn21 ZINC000182677017 385694697 /nfs/dbraw/zinc/69/46/97/385694697.db2.gz LHDDTLDZZOUJGO-NSHDSACASA-N 1 0 243.314 2.074 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000309564885 385694781 /nfs/dbraw/zinc/69/47/81/385694781.db2.gz LYBPQPLAFPFBOV-PWSUYJOCSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1ccc(C)o1 ZINC000309586391 385711848 /nfs/dbraw/zinc/71/18/48/385711848.db2.gz RWHNVRGTNWTZOD-NEPJUHHUSA-N 1 0 223.316 2.423 20 30 BEEDRO C#CCNC(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)=[NH+]C ZINC000262223627 533141595 /nfs/dbraw/zinc/14/15/95/533141595.db2.gz KWBRTHOHYDWYGS-MELADBBJSA-N 1 0 247.386 2.144 20 30 BEEDRO COCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185780925 385737171 /nfs/dbraw/zinc/73/71/71/385737171.db2.gz KUCJVZWUZJYAKZ-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO COCC[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185806712 385739777 /nfs/dbraw/zinc/73/97/77/385739777.db2.gz CJVFELVSJRPWOP-SRVKXCTJSA-N 1 0 210.321 2.083 20 30 BEEDRO CC1(C2([NH2+]Cc3nc(C#N)cs3)CC2)CC1 ZINC000398230315 385742139 /nfs/dbraw/zinc/74/21/39/385742139.db2.gz YMNGEVPVOJYDCB-UHFFFAOYSA-N 1 0 233.340 2.437 20 30 BEEDRO C#CCNC(=[NH+]CC)N1CCC[C@](C)(CCC)C1 ZINC000261961098 533143183 /nfs/dbraw/zinc/14/31/83/533143183.db2.gz PGECOTRBNZAGGE-HNNXBMFYSA-N 1 0 249.402 2.487 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cncc(F)c1 ZINC000320224012 385750326 /nfs/dbraw/zinc/75/03/26/385750326.db2.gz AKFAOJRODKOAOI-ZWNOBZJWSA-N 1 0 238.306 2.198 20 30 BEEDRO CC#CC[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000186384321 385757253 /nfs/dbraw/zinc/75/72/53/385757253.db2.gz GROVSLKMCRAHCB-QWHCGFSZSA-N 1 0 209.333 2.193 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1sc(CC)nc1C ZINC000309633616 385758473 /nfs/dbraw/zinc/75/84/73/385758473.db2.gz IRKRPIYTMMOYMC-WCBMZHEXSA-N 1 0 240.372 2.211 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000186384340 385758735 /nfs/dbraw/zinc/75/87/35/385758735.db2.gz GROVSLKMCRAHCB-OLZOCXBDSA-N 1 0 209.333 2.193 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000309633614 385759105 /nfs/dbraw/zinc/75/91/05/385759105.db2.gz IRKRPIYTMMOYMC-PSASIEDQSA-N 1 0 240.372 2.211 20 30 BEEDRO CCN(C)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000054110486 385779630 /nfs/dbraw/zinc/77/96/30/385779630.db2.gz YTNNVWBJQKZFJX-GFCCVEGCSA-N 1 0 231.343 2.161 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1OC ZINC000186695120 385781528 /nfs/dbraw/zinc/78/15/28/385781528.db2.gz PMTMPGIOIYDEKG-NWDGAFQWSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccnc1Cl ZINC000186709420 385783806 /nfs/dbraw/zinc/78/38/06/385783806.db2.gz RQNPDBJPMJCFAB-VHSXEESVSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000186714136 385784796 /nfs/dbraw/zinc/78/47/96/385784796.db2.gz FHYOOWWXFYOZOI-QWRGUYRKSA-N 1 0 223.316 2.430 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2=CCOCC2)c1 ZINC000397901953 385726205 /nfs/dbraw/zinc/72/62/05/385726205.db2.gz XUDJCAKOLLIBIY-UHFFFAOYSA-N 1 0 234.324 2.056 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CC1(F)F ZINC000602542436 385806208 /nfs/dbraw/zinc/80/62/08/385806208.db2.gz XLGKMWSHALCPDF-DTWKUNHWSA-N 1 0 202.248 2.314 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602614987 385808371 /nfs/dbraw/zinc/80/83/71/385808371.db2.gz OLGHLBBFYPCSEQ-SRVKXCTJSA-N 1 0 234.343 2.083 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC12CCOCC2 ZINC000602635020 385811341 /nfs/dbraw/zinc/81/13/41/385811341.db2.gz VVPLJRVIYCFFOJ-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]C[C@H](C)CCC#N ZINC000602723893 385817951 /nfs/dbraw/zinc/81/79/51/385817951.db2.gz HYZGLFPALYKEIE-NEPJUHHUSA-N 1 0 212.337 2.067 20 30 BEEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000159235666 385837954 /nfs/dbraw/zinc/83/79/54/385837954.db2.gz FPQLACDCCSAXKB-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CC(=O)OC(C)(C)C ZINC000602453833 385793031 /nfs/dbraw/zinc/79/30/31/385793031.db2.gz PMRICQUJWKZNMR-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCSC1 ZINC000309699659 385796746 /nfs/dbraw/zinc/79/67/46/385796746.db2.gz SJYUWAKRBCCRDM-XQQFMLRXSA-N 1 0 241.400 2.453 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)cc1 ZINC000390786625 385900634 /nfs/dbraw/zinc/90/06/34/385900634.db2.gz QITNUVZLMNGRDF-QWHCGFSZSA-N 1 0 235.714 2.393 20 30 BEEDRO C[N@@H+](Cc1ccc(F)c(C#N)c1)C[C@H]1CCOC1 ZINC000121679195 385860348 /nfs/dbraw/zinc/86/03/48/385860348.db2.gz VGHTWBWXJLKIGA-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]Cc1cccc(C#N)c1 ZINC000304241809 385863756 /nfs/dbraw/zinc/86/37/56/385863756.db2.gz MEDKVLBXYTZLNS-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO N#Cc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000366244966 385877989 /nfs/dbraw/zinc/87/79/89/385877989.db2.gz GRKPEBSDPWCMMA-CQSZACIVSA-N 1 0 242.322 2.027 20 30 BEEDRO C=C(C)C[C@@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000414621654 385980488 /nfs/dbraw/zinc/98/04/88/385980488.db2.gz AUOIBBMCIVVWCV-SECBINFHSA-N 1 0 221.304 2.477 20 30 BEEDRO CO[C@H](C[N@H+](CCC#N)CC1CC1)C1CC1 ZINC000425411341 385988500 /nfs/dbraw/zinc/98/85/00/385988500.db2.gz ARCBMNWJWHZHSY-CYBMUJFWSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2F)CCO1 ZINC000219887199 385947663 /nfs/dbraw/zinc/94/76/63/385947663.db2.gz UKHVXLFJYIRNOX-ZWNOBZJWSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000189215127 385952093 /nfs/dbraw/zinc/95/20/93/385952093.db2.gz OTILVQYYXYJNSG-MRVPVSSYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414087117 385955572 /nfs/dbraw/zinc/95/55/72/385955572.db2.gz IBNJBFIIHVPVEW-GFCCVEGCSA-N 1 0 249.358 2.073 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cccc(C#N)c1 ZINC000181981778 385961125 /nfs/dbraw/zinc/96/11/25/385961125.db2.gz AFDQOPJQKBEQCC-SWHYSGLUSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000414146973 385994068 /nfs/dbraw/zinc/99/40/68/385994068.db2.gz LVUFHCXCYZJCPZ-CLPYTZEMSA-N 1 0 209.333 2.354 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425402609 385966037 /nfs/dbraw/zinc/96/60/37/385966037.db2.gz IWECDVLWKXUPLY-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000414155510 386003186 /nfs/dbraw/zinc/00/31/86/386003186.db2.gz VCRNOGNYFFVOGQ-VEGXAWMVSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414154368 386003730 /nfs/dbraw/zinc/00/37/30/386003730.db2.gz TVKRVALMMSZCHR-LLVKDONJSA-N 1 0 219.332 2.446 20 30 BEEDRO C[N@H+](Cc1ccoc1)[C@H]1CC[C@H](C#N)C1 ZINC000335068290 386011212 /nfs/dbraw/zinc/01/12/12/386011212.db2.gz LSGMOYZRNZUTDS-JQWIXIFHSA-N 1 0 204.273 2.404 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000182017216 386023541 /nfs/dbraw/zinc/02/35/41/386023541.db2.gz BNNVLXVTRGTMLY-NSHDSACASA-N 1 0 218.300 2.025 20 30 BEEDRO COCC[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000414202548 386039639 /nfs/dbraw/zinc/03/96/39/386039639.db2.gz MZIIENPJYRYQTC-XQQFMLRXSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C[C@@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414642087 386040409 /nfs/dbraw/zinc/04/04/09/386040409.db2.gz JFLOVVQSNLCSAX-NXEZZACHSA-N 1 0 223.320 2.290 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414165545 386047880 /nfs/dbraw/zinc/04/78/80/386047880.db2.gz PUCIGULSEBRQCE-NEPJUHHUSA-N 1 0 235.327 2.201 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414164506 386048623 /nfs/dbraw/zinc/04/86/23/386048623.db2.gz KGUOMMODQQUQJA-JTQLQIEISA-N 1 0 212.337 2.329 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1nccn1C ZINC000414164145 386048777 /nfs/dbraw/zinc/04/87/77/386048777.db2.gz JRNUOXAJYVYLPU-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1ccn(C)n1 ZINC000414166042 386048865 /nfs/dbraw/zinc/04/88/65/386048865.db2.gz MZYXYVMDSYTCEO-SNVBAGLBSA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccn(C)n1 ZINC000414166041 386049030 /nfs/dbraw/zinc/04/90/30/386049030.db2.gz MZYXYVMDSYTCEO-JTQLQIEISA-N 1 0 220.320 2.011 20 30 BEEDRO C=CCCC[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000188031915 386049482 /nfs/dbraw/zinc/04/94/82/386049482.db2.gz FAOPMMNDASJEQV-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1cnn(C)c1 ZINC000414168125 386050629 /nfs/dbraw/zinc/05/06/29/386050629.db2.gz QHPPPMNVRAHBKK-GFCCVEGCSA-N 1 0 234.347 2.401 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000190952713 386106385 /nfs/dbraw/zinc/10/63/85/386106385.db2.gz KUPCIWNKHHSIKJ-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000267139618 386108403 /nfs/dbraw/zinc/10/84/03/386108403.db2.gz HVXKQEXGPOJWPE-GFCCVEGCSA-N 1 0 232.327 2.151 20 30 BEEDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000335177627 386115516 /nfs/dbraw/zinc/11/55/16/386115516.db2.gz JZLIGXNIQDLDOI-ZYHUDNBSSA-N 1 0 247.317 2.100 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CC2(C)C)ccc1C#N ZINC000234940306 386118870 /nfs/dbraw/zinc/11/88/70/386118870.db2.gz JCAKEMUPPKGFGS-CYBMUJFWSA-N 1 0 230.311 2.455 20 30 BEEDRO C=CCCc1ccccc1NC(=O)NCC[NH2+]C ZINC000415674435 386118934 /nfs/dbraw/zinc/11/89/34/386118934.db2.gz OKQHMLUCUHUQJM-UHFFFAOYSA-N 1 0 247.342 2.146 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CC2(C)C)ccc1C#N ZINC000234951451 386119085 /nfs/dbraw/zinc/11/90/85/386119085.db2.gz JCAKEMUPPKGFGS-ZDUSSCGKSA-N 1 0 230.311 2.455 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000345272662 386068134 /nfs/dbraw/zinc/06/81/34/386068134.db2.gz SOHRMZYEEPWIHM-OCCSQVGLSA-N 1 0 249.354 2.014 20 30 BEEDRO C=CC[N@@H+](C)CC[C@H](C(=O)OC)c1ccccc1 ZINC000425431554 386069381 /nfs/dbraw/zinc/06/93/81/386069381.db2.gz IKJDBYIBXITYCP-AWEZNQCLSA-N 1 0 247.338 2.451 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414271381 386087516 /nfs/dbraw/zinc/08/75/16/386087516.db2.gz WVKHPVBUSPOCSI-NSHDSACASA-N 1 0 247.404 2.144 20 30 BEEDRO C=CCOc1ccccc1CNCC1([NH3+])CCC1 ZINC000414892198 386147823 /nfs/dbraw/zinc/14/78/23/386147823.db2.gz WTZGQNAPZMPJOO-UHFFFAOYSA-N 1 0 246.354 2.222 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1csc(C)n1 ZINC000320300699 386190355 /nfs/dbraw/zinc/19/03/55/386190355.db2.gz BKQWHIOVCAXXOA-GXSJLCMTSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415913896 386162330 /nfs/dbraw/zinc/16/23/30/386162330.db2.gz SDYCFWHZVVKDBK-LLVKDONJSA-N 1 0 247.342 2.492 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000334478151 386164551 /nfs/dbraw/zinc/16/45/51/386164551.db2.gz RBMNMASPGIVPGZ-WXRRBKDZSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCN(C[C@@H]([NH3+])CC(C)C)CC(F)(F)F ZINC000414682710 386166041 /nfs/dbraw/zinc/16/60/41/386166041.db2.gz AHISYYAFCVCSLO-JTQLQIEISA-N 1 0 238.297 2.410 20 30 BEEDRO C=CCN(C)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415967480 386171054 /nfs/dbraw/zinc/17/10/54/386171054.db2.gz WQAQOPDCCNNTGQ-UHFFFAOYSA-N 1 0 233.315 2.056 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000638609454 386176596 /nfs/dbraw/zinc/17/65/96/386176596.db2.gz MIPZNRZZFFXVEB-AAVRWANBSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000647879488 386181037 /nfs/dbraw/zinc/18/10/37/386181037.db2.gz ARVRAVATHAVBNB-HNNXBMFYSA-N 1 0 230.355 2.284 20 30 BEEDRO C=CCOCCC[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430281561 386129268 /nfs/dbraw/zinc/12/92/68/386129268.db2.gz SNLIKTMABCHMHC-LBPRGKRZSA-N 1 0 209.333 2.477 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C ZINC000414343238 386132170 /nfs/dbraw/zinc/13/21/70/386132170.db2.gz NCPPXJXQZAZFFV-TUAOUCFPSA-N 1 0 226.364 2.090 20 30 BEEDRO C=CC[C@H](Cc1ccccc1)[NH2+][C@@H](C)CC(N)=O ZINC000414305223 386140716 /nfs/dbraw/zinc/14/07/16/386140716.db2.gz PTHRPZQWRUBOFH-GXTWGEPZSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCCC[NH2+][C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000190009758 386141269 /nfs/dbraw/zinc/14/12/69/386141269.db2.gz QPFGHNSFHHQROL-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000264118491 386208885 /nfs/dbraw/zinc/20/88/85/386208885.db2.gz QOLWCSGPWKENFS-LBPRGKRZSA-N 1 0 233.359 2.495 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(O)(C(F)F)CC1 ZINC000347223182 386289870 /nfs/dbraw/zinc/28/98/70/386289870.db2.gz KIXVRBOLLNZDCV-UHFFFAOYSA-N 1 0 246.301 2.018 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000320308068 386292314 /nfs/dbraw/zinc/29/23/14/386292314.db2.gz UTHJWWMUYUGSLX-UPJWGTAASA-N 1 0 241.375 2.107 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000276031693 386263262 /nfs/dbraw/zinc/26/32/62/386263262.db2.gz FAUQUCWOAHRLFL-VHSXEESVSA-N 1 0 236.290 2.210 20 30 BEEDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347169586 386266256 /nfs/dbraw/zinc/26/62/56/386266256.db2.gz OSDIAHJUPKTITM-OCCSQVGLSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCOc1ccccc1CN(C)[C@@H](C)C[NH3+] ZINC000347180430 386270685 /nfs/dbraw/zinc/27/06/85/386270685.db2.gz UJXGXTAUIARAOJ-LBPRGKRZSA-N 1 0 234.343 2.030 20 30 BEEDRO CC(C)C[C@@H](CO)[N@H+](C)CCC(C)(C)C#N ZINC000347241901 386275359 /nfs/dbraw/zinc/27/53/59/386275359.db2.gz XQUUZGPLJSZYSO-LBPRGKRZSA-N 1 0 226.364 2.265 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000347247502 386279600 /nfs/dbraw/zinc/27/96/00/386279600.db2.gz KSDSFWMSAZCOGS-JSGCOSHPSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000164859201 386342819 /nfs/dbraw/zinc/34/28/19/386342819.db2.gz LJZBRARZJYBTDS-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000181305965 386346410 /nfs/dbraw/zinc/34/64/10/386346410.db2.gz GBTKXTYIJGYMGH-GFCCVEGCSA-N 1 0 219.332 2.357 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCCO1 ZINC000453290856 386353099 /nfs/dbraw/zinc/35/30/99/386353099.db2.gz MBKBZOTVJVIJSK-ZDEQEGDKSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000280576610 386364834 /nfs/dbraw/zinc/36/48/34/386364834.db2.gz HDIOLMWUIPHFQV-KGLIPLIRSA-N 1 0 232.327 2.152 20 30 BEEDRO C=Cn1cc(C[NH2+]C[C@H]2CCO[C@H]2C(=C)C)cn1 ZINC000280645871 386367092 /nfs/dbraw/zinc/36/70/92/386367092.db2.gz NRZAUQHYGUSBLB-KGLIPLIRSA-N 1 0 247.342 2.054 20 30 BEEDRO C=CCc1cc(C[NH2+]CCF)cc(OC)c1O ZINC000280614819 386367261 /nfs/dbraw/zinc/36/72/61/386367261.db2.gz DWCBNPVLFXSCMC-UHFFFAOYSA-N 1 0 239.290 2.188 20 30 BEEDRO CC(C)[N@H+](C)CCNc1ccc(C#N)cc1 ZINC000054128490 386375144 /nfs/dbraw/zinc/37/51/44/386375144.db2.gz YTJRLKQKSZUDKF-UHFFFAOYSA-N 1 0 217.316 2.310 20 30 BEEDRO CC[N@H+](CC[C@@H]1CCCCO1)C[C@@H](C)C#N ZINC000347394972 386381645 /nfs/dbraw/zinc/38/16/45/386381645.db2.gz BRGMRJCLYOBYDU-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOc1ccc(CN2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000414768574 386443340 /nfs/dbraw/zinc/44/33/40/386443340.db2.gz KUMIVOYPLSNNTJ-WFASDCNBSA-N 1 0 246.354 2.173 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cncc(C)c1 ZINC000453335934 386445239 /nfs/dbraw/zinc/44/52/39/386445239.db2.gz AOHLTHHJUSMCKB-OCCSQVGLSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@@H]1CCCCN1C[C@H]([NH3+])CC(C)C ZINC000414757854 386404953 /nfs/dbraw/zinc/40/49/53/386404953.db2.gz LWLUXHYNQADEFE-CHWSQXEVSA-N 1 0 210.365 2.400 20 30 BEEDRO Cc1cc(N2CCC[C@@H]2C[C@@H](C)O)c(C#N)cn1 ZINC000398996100 386410683 /nfs/dbraw/zinc/41/06/83/386410683.db2.gz PIYPGUXRAGPFJL-DGCLKSJQSA-N 1 0 245.326 2.001 20 30 BEEDRO C=CCN(CCc1ccccc1)C[C@H](C)[NH3+] ZINC000442664838 386412358 /nfs/dbraw/zinc/41/23/58/386412358.db2.gz KVINKWULJQRBJC-ZDUSSCGKSA-N 1 0 218.344 2.064 20 30 BEEDRO C=CCOCCC[N@@H+](C)C1CC(OCC)C1 ZINC000347465542 386414202 /nfs/dbraw/zinc/41/42/02/386414202.db2.gz XYNPMMRVUIGBNN-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO CCCC[N@H+](CCOC)CC1(C#N)CC1 ZINC000347492912 386421693 /nfs/dbraw/zinc/42/16/93/386421693.db2.gz VXKUFICILLFBNV-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442712243 386528736 /nfs/dbraw/zinc/52/87/36/386528736.db2.gz UKKFIVQJMUDOSM-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[N@H+]1CC=C(c2ccnn2C)CC1 ZINC000285650438 386488402 /nfs/dbraw/zinc/48/84/02/386488402.db2.gz PCCVMEOWCWGASC-UHFFFAOYSA-N 1 0 217.316 2.085 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)nn1C ZINC000414444532 386488444 /nfs/dbraw/zinc/48/84/44/386488444.db2.gz PYGJDRBRFCGZFH-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CCC)[C@@H]1CC1(C)C ZINC000417327039 386498785 /nfs/dbraw/zinc/49/87/85/386498785.db2.gz DMIZLYBMXVHLFG-GRYCIOLGSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCOC1 ZINC000336733252 386505908 /nfs/dbraw/zinc/50/59/08/386505908.db2.gz GLKGLNKSXDEVER-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000336733253 386506893 /nfs/dbraw/zinc/50/68/93/386506893.db2.gz GLKGLNKSXDEVER-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](CC)OC)c1 ZINC000290639860 386461549 /nfs/dbraw/zinc/46/15/49/386461549.db2.gz MAGPTTQAENYKRC-CYBMUJFWSA-N 1 0 249.358 2.401 20 30 BEEDRO CCc1ncc(C[NH2+]CC(C)(C)CC#N)cn1 ZINC000414461520 386598146 /nfs/dbraw/zinc/59/81/46/386598146.db2.gz KYHMDAXYSWHFQL-UHFFFAOYSA-N 1 0 232.331 2.068 20 30 BEEDRO CC1CCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442725922 386578130 /nfs/dbraw/zinc/57/81/30/386578130.db2.gz QOIMCRZXBITQPY-UONOGXRCSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000336757301 386582136 /nfs/dbraw/zinc/58/21/36/386582136.db2.gz JZWYOTUCXUOJSI-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000336644688 386593962 /nfs/dbraw/zinc/59/39/62/386593962.db2.gz AFEXYGCDCKYRKR-UHFFFAOYSA-N 1 0 217.268 2.180 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2ccc(OC)cc2C1 ZINC000123110013 386537477 /nfs/dbraw/zinc/53/74/77/386537477.db2.gz AGAQVAQONRAROP-BXUZGUMPSA-N 1 0 229.323 2.164 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000163977625 386562526 /nfs/dbraw/zinc/56/25/26/386562526.db2.gz MYZYHDVKEKINOE-UHFFFAOYSA-N 1 0 239.388 2.473 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccsc1Cl ZINC000336646087 386623677 /nfs/dbraw/zinc/62/36/77/386623677.db2.gz CMLVWNODURQPTO-VIFPVBQESA-N 1 0 231.748 2.428 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC000628314501 386647202 /nfs/dbraw/zinc/64/72/02/386647202.db2.gz CFRQIIZENYZYSQ-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CC#CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000165119417 386611961 /nfs/dbraw/zinc/61/19/61/386611961.db2.gz WNXFPEZHLJNODT-UHFFFAOYSA-N 1 0 218.256 2.098 20 30 BEEDRO N#CCCC1CC[NH+](CCOCC2CC2)CC1 ZINC000520402290 386668088 /nfs/dbraw/zinc/66/80/88/386668088.db2.gz JDCJPUNZWYZLAA-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1O ZINC000187887493 386681668 /nfs/dbraw/zinc/68/16/68/386681668.db2.gz JSNUHBWRNNOODY-NDBYEHHHSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccsc1 ZINC000336648652 386687302 /nfs/dbraw/zinc/68/73/02/386687302.db2.gz GXNVMWTYVRRNTL-JTQLQIEISA-N 1 0 211.330 2.022 20 30 BEEDRO C[C@H](CNc1ccc(C#N)cc1F)C[NH+](C)C ZINC000291912091 386690621 /nfs/dbraw/zinc/69/06/21/386690621.db2.gz QWDGFCRUOJTBFS-SNVBAGLBSA-N 1 0 235.306 2.307 20 30 BEEDRO CCn1ccc(C[NH2+]CC(C)(C)CCC#N)n1 ZINC000414486297 386697973 /nfs/dbraw/zinc/69/79/73/386697973.db2.gz SZPMCVZDYPQVQB-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO CCC[C@@H]([NH2+]CCOCCC#N)C1CCC1 ZINC000324936990 386700754 /nfs/dbraw/zinc/70/07/54/386700754.db2.gz WKAMDTLMOPZZSO-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000520575104 386702468 /nfs/dbraw/zinc/70/24/68/386702468.db2.gz BSQYGNYDXHSDFH-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000645091816 386716887 /nfs/dbraw/zinc/71/68/87/386716887.db2.gz UJMFRQUMLKWQKO-CQSZACIVSA-N 1 0 249.358 2.068 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CC(=C)C)cc1 ZINC000119663606 533190016 /nfs/dbraw/zinc/19/00/16/533190016.db2.gz XMVKFTOGBRGJAH-UHFFFAOYSA-N 1 0 215.296 2.364 20 30 BEEDRO C=C(C)CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000452720322 386751664 /nfs/dbraw/zinc/75/16/64/386751664.db2.gz WHHZRFXDOKUQPV-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)c1cccc(F)c1 ZINC000336668526 386794387 /nfs/dbraw/zinc/79/43/87/386794387.db2.gz MNVIYGQTCKXHLB-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO COc1ccc(C[N@H+](C)CC2CC2)cc1C#N ZINC000087833198 386782023 /nfs/dbraw/zinc/78/20/23/386782023.db2.gz YMKIDGMTVBTYIB-UHFFFAOYSA-N 1 0 230.311 2.409 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417979514 386784031 /nfs/dbraw/zinc/78/40/31/386784031.db2.gz JCPCMNMIVAPKJT-VXGBXAGGSA-N 1 0 241.379 2.014 20 30 BEEDRO CCCN(CC)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192925403 386797891 /nfs/dbraw/zinc/79/78/91/386797891.db2.gz PEEOTMZFTIAIFQ-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO CS[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193042997 386812734 /nfs/dbraw/zinc/81/27/34/386812734.db2.gz WAOPLCUTHPXQNB-OUAUKWLOSA-N 1 0 212.362 2.410 20 30 BEEDRO CC(C)[N@H+](C)CCCNc1cccc(C#N)n1 ZINC000229781263 386812758 /nfs/dbraw/zinc/81/27/58/386812758.db2.gz OTXKGKQFVINHQV-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C=CC[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000334749299 386814925 /nfs/dbraw/zinc/81/49/25/386814925.db2.gz AHRMGLKJRGSOQB-VXGBXAGGSA-N 1 0 207.317 2.206 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(F)cc1 ZINC000336670770 386814873 /nfs/dbraw/zinc/81/48/73/386814873.db2.gz IBZCCZLBUVRPPK-LBPRGKRZSA-N 1 0 223.291 2.100 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)[C@H]1CCOC1 ZINC000411496818 386825792 /nfs/dbraw/zinc/82/57/92/386825792.db2.gz YPZAEVXZOGYTBV-LBPRGKRZSA-N 1 0 221.300 2.099 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)CCC(C)(C)C#N ZINC000336672969 386830891 /nfs/dbraw/zinc/83/08/91/386830891.db2.gz GSDVPOFWXWAWLM-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000051663304 386835729 /nfs/dbraw/zinc/83/57/29/386835729.db2.gz XDMIVFVEDOKYMO-LLVKDONJSA-N 1 0 230.311 2.319 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187061 386850734 /nfs/dbraw/zinc/85/07/34/386850734.db2.gz WVKJHXFTTAUMKB-LSDHHAIUSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCSCCN[C@H](C)[C@H]1CCCC[NH2+]1 ZINC000395090427 386856390 /nfs/dbraw/zinc/85/63/90/386856390.db2.gz UKRYXMVGAVRFLH-VXGBXAGGSA-N 1 0 228.405 2.026 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@](C)(CC)OC)CC1 ZINC000638524651 386857413 /nfs/dbraw/zinc/85/74/13/386857413.db2.gz QJXZHJKZCUKRKB-AWEZNQCLSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000336739302 386879607 /nfs/dbraw/zinc/87/96/07/386879607.db2.gz SKGPPVKPNGGTFY-AGIUHOORSA-N 1 0 210.365 2.271 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296272223 533201804 /nfs/dbraw/zinc/20/18/04/533201804.db2.gz BZNHTTHJQGHVCX-GFCCVEGCSA-N 1 0 247.363 2.336 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000334816911 386943522 /nfs/dbraw/zinc/94/35/22/386943522.db2.gz DBNGAIMMCXPIBE-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC1(C#N)CCC1 ZINC000334823460 386955067 /nfs/dbraw/zinc/95/50/67/386955067.db2.gz FCSSPKNMZRNGBB-ZIAGYGMSSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](O)C2CCC2)ccc1C#N ZINC000449741086 386956453 /nfs/dbraw/zinc/95/64/53/386956453.db2.gz SLROJIYJVWLTDX-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO CCOCC(C)(C)CNc1cc(C)ncc1C#N ZINC000399524334 386957532 /nfs/dbraw/zinc/95/75/32/386957532.db2.gz RRWFLFRXTKQODU-UHFFFAOYSA-N 1 0 247.342 2.158 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000161726625 386967972 /nfs/dbraw/zinc/96/79/72/386967972.db2.gz ATHNNJNDMFCVBS-AAEUAGOBSA-N 1 0 244.342 2.062 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000398796615 386993798 /nfs/dbraw/zinc/99/37/98/386993798.db2.gz PRRNEOAMFGYLFY-XQQFMLRXSA-N 1 0 236.359 2.019 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000341945514 387001068 /nfs/dbraw/zinc/00/10/68/387001068.db2.gz OWYOSBXOKPTTOC-JSGCOSHPSA-N 1 0 246.354 2.370 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000418020709 387008942 /nfs/dbraw/zinc/00/89/42/387008942.db2.gz GYDPELJIKBNCCW-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000190913947 387036714 /nfs/dbraw/zinc/03/67/14/387036714.db2.gz ZNXMLRDOMANHCH-UONOGXRCSA-N 1 0 230.311 2.215 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000190920597 387037941 /nfs/dbraw/zinc/03/79/41/387037941.db2.gz CPYWUCHMUIMYRZ-UONOGXRCSA-N 1 0 230.311 2.215 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)cn1 ZINC000192640103 387042653 /nfs/dbraw/zinc/04/26/53/387042653.db2.gz ZBYPHLAFGXPMJQ-YPMHNXCESA-N 1 0 245.326 2.262 20 30 BEEDRO CS[C@H]1CC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000425371531 387012287 /nfs/dbraw/zinc/01/22/87/387012287.db2.gz QICJEYYFPJBOAP-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCCC2)C1 ZINC000192618751 387012685 /nfs/dbraw/zinc/01/26/85/387012685.db2.gz PLACCVQTPIZQFZ-KGLIPLIRSA-N 1 0 235.375 2.144 20 30 BEEDRO CC(C)([NH3+])CNc1cc(C#N)c2ccccc2n1 ZINC000129655592 387029859 /nfs/dbraw/zinc/02/98/59/387029859.db2.gz YFIPMCUUUYUUDT-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276757704 387074974 /nfs/dbraw/zinc/07/49/74/387074974.db2.gz MDJQTOUJCAUMBS-NSHDSACASA-N 1 0 219.332 2.373 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000418045101 387075219 /nfs/dbraw/zinc/07/52/19/387075219.db2.gz NGSHUCYHIZIJLM-AGIUHOORSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(Cl)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000066665125 387090316 /nfs/dbraw/zinc/09/03/16/387090316.db2.gz SIRPZFPLGDKMOS-LBPRGKRZSA-N 1 0 228.767 2.299 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C(C)C ZINC000309985171 387093506 /nfs/dbraw/zinc/09/35/06/387093506.db2.gz ITPNDCBAWUKATK-UONOGXRCSA-N 1 0 235.302 2.107 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1cc(C)cc(C#N)c1 ZINC000456969236 387115740 /nfs/dbraw/zinc/11/57/40/387115740.db2.gz QGVAYKBONAVABC-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000186664410 387120082 /nfs/dbraw/zinc/12/00/82/387120082.db2.gz DYVSAJFSPWUQSK-HNNXBMFYSA-N 1 0 242.322 2.422 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000019963513 387122988 /nfs/dbraw/zinc/12/29/88/387122988.db2.gz APZMGIKHASDMBW-FZMZJTMJSA-N 1 0 230.311 2.388 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000105569361 387126316 /nfs/dbraw/zinc/12/63/16/387126316.db2.gz YJIAZOZJUOFYQC-HNNXBMFYSA-N 1 0 243.354 2.479 20 30 BEEDRO C=CCC[C@@H](N[C@H](C)C[NH3+])c1ccco1 ZINC000423319829 387161404 /nfs/dbraw/zinc/16/14/04/387161404.db2.gz FPYUEGDDCTYRAN-GHMZBOCLSA-N 1 0 208.305 2.224 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC(F)(F)CN ZINC000423319854 387162693 /nfs/dbraw/zinc/16/26/93/387162693.db2.gz FTGVTTSXFMFMST-SNVBAGLBSA-N 1 0 220.307 2.305 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CCSC2)CCC1 ZINC000418145692 387166592 /nfs/dbraw/zinc/16/65/92/387166592.db2.gz YRMUQQKBQDGEMT-JTQLQIEISA-N 1 0 210.346 2.023 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]2C2CC2)CCC1 ZINC000418143974 387168190 /nfs/dbraw/zinc/16/81/90/387168190.db2.gz RQEULOXFONBNIV-NWDGAFQWSA-N 1 0 204.317 2.458 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CCSC2)CCC1 ZINC000418145696 387168404 /nfs/dbraw/zinc/16/84/04/387168404.db2.gz YRMUQQKBQDGEMT-SNVBAGLBSA-N 1 0 210.346 2.023 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000229326354 387170597 /nfs/dbraw/zinc/17/05/97/387170597.db2.gz FWANVTFNSDRFHA-JTQLQIEISA-N 1 0 221.300 2.455 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+]CC2(C#N)CCC2)CCO1 ZINC000418137169 387174351 /nfs/dbraw/zinc/17/43/51/387174351.db2.gz DHXRKKQPQYOBRW-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000193300495 387193590 /nfs/dbraw/zinc/19/35/90/387193590.db2.gz ZVOYXZRTMJKAIP-CHWSQXEVSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CC[C@H](CC)NC(=O)NCC([NH3+])(CC)CC ZINC000418149634 387178379 /nfs/dbraw/zinc/17/83/79/387178379.db2.gz PQDAGIIGWLDBGR-NSHDSACASA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCC[C@@H](NCC1C[NH2+]C1)c1ccco1 ZINC000423303614 387138146 /nfs/dbraw/zinc/13/81/46/387138146.db2.gz MBTFULFRTSQSKA-GFCCVEGCSA-N 1 0 220.316 2.096 20 30 BEEDRO C=CCC[C@@H](N[C@@H](C)C[NH3+])c1ccco1 ZINC000423360491 387214049 /nfs/dbraw/zinc/21/40/49/387214049.db2.gz FPYUEGDDCTYRAN-WDEREUQCSA-N 1 0 208.305 2.224 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187828301 387215204 /nfs/dbraw/zinc/21/52/04/387215204.db2.gz RCMDGFLEFWIZFJ-YXMPFFBPSA-N 1 0 231.405 2.286 20 30 BEEDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000269500246 387237445 /nfs/dbraw/zinc/23/74/45/387237445.db2.gz LLOREJKUNGLMHT-JTQLQIEISA-N 1 0 236.315 2.038 20 30 BEEDRO CC(C)(C)OCC[NH+]1CCC(F)(C#N)CC1 ZINC000352484174 387247197 /nfs/dbraw/zinc/24/71/97/387247197.db2.gz MKTMYELJKPPICH-UHFFFAOYSA-N 1 0 228.311 2.129 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cn2cccnc2n1 ZINC000628379250 387199461 /nfs/dbraw/zinc/19/94/61/387199461.db2.gz VOCUYKBUWUCSQF-UHFFFAOYSA-N 1 0 244.342 2.421 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000424590280 387199924 /nfs/dbraw/zinc/19/99/24/387199924.db2.gz FMGALFFLPUHZDL-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1CC ZINC000120825597 387200448 /nfs/dbraw/zinc/20/04/48/387200448.db2.gz IMKXIPIPWVGDHX-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000230352645 387262309 /nfs/dbraw/zinc/26/23/09/387262309.db2.gz SGPOXPDBWHLACN-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCOCCN[C@H](C)c1cc(C)on1 ZINC000285425559 387265405 /nfs/dbraw/zinc/26/54/05/387265405.db2.gz YIJOMUZWHOPWPP-LLVKDONJSA-N 1 0 224.304 2.226 20 30 BEEDRO Cc1noc(C)c1C(C)(C)[NH2+]CCCC#N ZINC000285511203 387270758 /nfs/dbraw/zinc/27/07/58/387270758.db2.gz DJLHMRKOIVVIKS-UHFFFAOYSA-N 1 0 221.304 2.420 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC1(CO)CC1 ZINC000648467236 387354515 /nfs/dbraw/zinc/35/45/15/387354515.db2.gz BCKUQPIRMXVNRF-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191246660 387356108 /nfs/dbraw/zinc/35/61/08/387356108.db2.gz GSYKSLXBRKJKNG-LLVKDONJSA-N 1 0 219.332 2.375 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCCN1 ZINC000643502001 387356623 /nfs/dbraw/zinc/35/66/23/387356623.db2.gz VQCRLGDNVSNLJI-QWHCGFSZSA-N 1 0 210.365 2.463 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)C(C)(C)C ZINC000191256623 387362295 /nfs/dbraw/zinc/36/22/95/387362295.db2.gz NTEAHXXJOYWPFG-ZDUSSCGKSA-N 1 0 249.358 2.047 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](CC)[C@H](C)CO)cc1 ZINC000354431088 387373937 /nfs/dbraw/zinc/37/39/37/387373937.db2.gz MTYDLORFRRFQRN-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO CN(CCC[NH2+]CCC#N)c1ccccc1F ZINC000515054822 387327926 /nfs/dbraw/zinc/32/79/26/387327926.db2.gz OFXWTKDKXUIVMG-UHFFFAOYSA-N 1 0 235.306 2.155 20 30 BEEDRO Cc1ncncc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000514678861 387346082 /nfs/dbraw/zinc/34/60/82/387346082.db2.gz HAQZDGFPLBXJPV-GRYCIOLGSA-N 1 0 230.315 2.128 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000192707939 387352073 /nfs/dbraw/zinc/35/20/73/387352073.db2.gz FQKLDDFCXGTGOB-UWVGGRQHSA-N 1 0 221.329 2.315 20 30 BEEDRO C#CCCN1CCOC[C@H]1c1ccc(CC)o1 ZINC000269849515 387424222 /nfs/dbraw/zinc/42/42/22/387424222.db2.gz GMVXKCIDPNIMNR-ZDUSSCGKSA-N 1 0 233.311 2.239 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccccc1NC(C)=O ZINC000271115969 387434346 /nfs/dbraw/zinc/43/43/46/387434346.db2.gz BUEZJSUKANURTC-UHFFFAOYSA-N 1 0 230.311 2.100 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000270528039 387435260 /nfs/dbraw/zinc/43/52/60/387435260.db2.gz NWZSELBJXGBSDL-OAHLLOKOSA-N 1 0 231.339 2.283 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+]1CC=C(C)CC1 ZINC000270332946 387440514 /nfs/dbraw/zinc/44/05/14/387440514.db2.gz MDOIUJRUDHEVJV-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C#CCN(CC)Cc1c(Cl)n(C)nc1CC ZINC000271140864 387440803 /nfs/dbraw/zinc/44/08/03/387440803.db2.gz PGSFAULELIVLRK-UHFFFAOYSA-N 1 0 239.750 2.091 20 30 BEEDRO C=CCN(C(=O)c1ccc([C@H](C)[NH3+])cc1)C1CC1 ZINC000423877133 387442487 /nfs/dbraw/zinc/44/24/87/387442487.db2.gz CWADMWWMLOZRBD-NSHDSACASA-N 1 0 244.338 2.497 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000271538852 387445687 /nfs/dbraw/zinc/44/56/87/387445687.db2.gz YODFYAOPQXNZEH-CQSZACIVSA-N 1 0 231.339 2.283 20 30 BEEDRO Cn1cc(C[NH2+]CCC2=CCCC2)cc1C#N ZINC000191473855 387451376 /nfs/dbraw/zinc/45/13/76/387451376.db2.gz IOCJQVXXHSABPU-UHFFFAOYSA-N 1 0 229.327 2.487 20 30 BEEDRO C=C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000272273884 387451829 /nfs/dbraw/zinc/45/18/29/387451829.db2.gz DPORGFKBIIVWNU-UHFFFAOYSA-N 1 0 217.312 2.331 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)COC2 ZINC000273488852 387458311 /nfs/dbraw/zinc/45/83/11/387458311.db2.gz WIMPPUGMBUXOFV-NHYWBVRUSA-N 1 0 247.338 2.304 20 30 BEEDRO C[C@H]1SCC[N@H+](Cc2cc(C#N)n(C)c2)[C@H]1C ZINC000191377552 387387990 /nfs/dbraw/zinc/38/79/90/387387990.db2.gz ISAHJASRPOOUCC-WDEREUQCSA-N 1 0 249.383 2.223 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2nccc(C)n2)CC1 ZINC000265580072 387397716 /nfs/dbraw/zinc/39/77/16/387397716.db2.gz WLEYIZNJYDUURS-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO C=CCCCCCN(C)C(=O)/C=C/C[NH+](C)C ZINC000265783508 387399813 /nfs/dbraw/zinc/39/98/13/387399813.db2.gz GLLJSLXGADLDPW-ZHACJKMWSA-N 1 0 238.375 2.309 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000265992578 387399942 /nfs/dbraw/zinc/39/99/42/387399942.db2.gz GITWYUSKTDWJFC-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO C=CCCCN(C)Cc1nc(C2CC2)nn1C ZINC000515641438 387407034 /nfs/dbraw/zinc/40/70/34/387407034.db2.gz RVEHNTWCUQSAJY-UHFFFAOYSA-N 1 0 234.347 2.091 20 30 BEEDRO C#CCN(CC)Cc1cc(F)ccc1F ZINC000267350715 387409587 /nfs/dbraw/zinc/40/95/87/387409587.db2.gz UUTZQPOXBWSWFK-UHFFFAOYSA-N 1 0 209.239 2.420 20 30 BEEDRO C#CCN(CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000267315749 387409751 /nfs/dbraw/zinc/40/97/51/387409751.db2.gz NJYPIBAKHLRNSO-UHFFFAOYSA-N 1 0 248.282 2.059 20 30 BEEDRO CCOCCC1(C[NH2+]CCC#N)CCCC1 ZINC000516454921 387512551 /nfs/dbraw/zinc/51/25/51/387512551.db2.gz ZKCXGRUSSVDJSB-UHFFFAOYSA-N 1 0 224.348 2.477 20 30 BEEDRO CCC1(O)CC[NH+](CC#Cc2ccccc2)CC1 ZINC000276866219 387525271 /nfs/dbraw/zinc/52/52/71/387525271.db2.gz XURPAGUSLIVBJD-UHFFFAOYSA-N 1 0 243.350 2.275 20 30 BEEDRO Cc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)c(F)c1 ZINC000424071696 387475949 /nfs/dbraw/zinc/47/59/49/387475949.db2.gz BVCVVKNCYXSOGL-LLVKDONJSA-N 1 0 249.289 2.094 20 30 BEEDRO Cc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1C ZINC000424074301 387478602 /nfs/dbraw/zinc/47/86/02/387478602.db2.gz GXRXSZIIAUTWFF-LBPRGKRZSA-N 1 0 245.326 2.263 20 30 BEEDRO CCc1cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c1 ZINC000424074729 387478914 /nfs/dbraw/zinc/47/89/14/387478914.db2.gz HTLFRJMKOTUDRH-ZDUSSCGKSA-N 1 0 245.326 2.209 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)CC1CCOCC1 ZINC000104196058 387484375 /nfs/dbraw/zinc/48/43/75/387484375.db2.gz LRQZFCUJNFQNHE-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO C=C(C)CC[N@H+](C)CCCn1ccnc1C ZINC000274786452 387492463 /nfs/dbraw/zinc/49/24/63/387492463.db2.gz AXKHZBQSFIIKRX-UHFFFAOYSA-N 1 0 221.348 2.480 20 30 BEEDRO CC1=C[C@@H](C)CN(C[C@H](C#N)CCC#N)C1 ZINC000430267122 387603662 /nfs/dbraw/zinc/60/36/62/387603662.db2.gz JBECMHRGIWFHHN-YPMHNXCESA-N 1 0 217.316 2.328 20 30 BEEDRO CCc1nc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000426326220 387556548 /nfs/dbraw/zinc/55/65/48/387556548.db2.gz YCSKGZBITWZARI-WDEREUQCSA-N 1 0 233.315 2.327 20 30 BEEDRO CCc1nc(C)c(C[NH2+][C@@H]2CC[C@@H](C#N)C2)o1 ZINC000426326217 387556740 /nfs/dbraw/zinc/55/67/40/387556740.db2.gz YCSKGZBITWZARI-GHMZBOCLSA-N 1 0 233.315 2.327 20 30 BEEDRO CC#CCC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000278916323 387557902 /nfs/dbraw/zinc/55/79/02/387557902.db2.gz QYKLNCPEGOUSQN-UHFFFAOYSA-N 1 0 245.370 2.496 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426454950 387569516 /nfs/dbraw/zinc/56/95/16/387569516.db2.gz RELWMCRCICZAEI-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 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C=CC[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452000360 387696700 /nfs/dbraw/zinc/69/67/00/387696700.db2.gz YVCPFWXYHMKLQQ-ZIAGYGMSSA-N 1 0 245.322 2.061 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000441363777 387750763 /nfs/dbraw/zinc/75/07/63/387750763.db2.gz YGLCSSBDKDTLHR-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@]12C[N@H+](CCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452050751 387714082 /nfs/dbraw/zinc/71/40/82/387714082.db2.gz XIMUJMUJZYEISH-MROQNXINSA-N 1 0 204.317 2.268 20 30 BEEDRO C#CC[N@H+](C)CCCNc1cccc(Cl)n1 ZINC000328035089 387722033 /nfs/dbraw/zinc/72/20/33/387722033.db2.gz WCIKPPYANVHUTB-UHFFFAOYSA-N 1 0 237.734 2.102 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](COC)CC1 ZINC000452073259 387726175 /nfs/dbraw/zinc/72/61/75/387726175.db2.gz ASKNMODVRGHXRV-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CCCC#N)CC1 ZINC000452082233 387727706 /nfs/dbraw/zinc/72/77/06/387727706.db2.gz KRTXNNXECAMALI-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CCCCC#N)CC1 ZINC000452075901 387728206 /nfs/dbraw/zinc/72/82/06/387728206.db2.gz DQDNCBRKBRPQQT-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@@H](COC)CC1 ZINC000452076960 387728773 /nfs/dbraw/zinc/72/87/73/387728773.db2.gz CDSQNKMZLXJXEW-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO CCN1C[C@H](C)[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC000441389439 387755852 /nfs/dbraw/zinc/75/58/52/387755852.db2.gz ZLSQXHCVLDETLR-VXGQWTEUSA-N 1 0 249.402 2.246 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC12CC2 ZINC000527909027 387764547 /nfs/dbraw/zinc/76/45/47/387764547.db2.gz HQPINQLELROCNQ-WRWGMCAJSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)N(C)C ZINC000353426420 387794638 /nfs/dbraw/zinc/79/46/38/387794638.db2.gz MIIJVJWNEPWVPG-NHYWBVRUSA-N 1 0 243.354 2.085 20 30 BEEDRO C=CC1CC[NH+](Cc2cnn(C=C)c2)CC1 ZINC000193943975 387813194 /nfs/dbraw/zinc/81/31/94/387813194.db2.gz SHRALCHQZDIGFR-UHFFFAOYSA-N 1 0 217.316 2.382 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000049948710 387803990 /nfs/dbraw/zinc/80/39/90/387803990.db2.gz WWMDEORMNCFGOO-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000052396193 387805494 /nfs/dbraw/zinc/80/54/94/387805494.db2.gz ZVRVRBKWGXAQTP-BXUZGUMPSA-N 1 0 214.312 2.293 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000528001145 387808056 /nfs/dbraw/zinc/80/80/56/387808056.db2.gz LPOWCSVSZZBKTP-IPYPFGDCSA-N 1 0 247.386 2.285 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC000442633151 387808712 /nfs/dbraw/zinc/80/87/12/387808712.db2.gz HZICIYCELAOWLP-VXGBXAGGSA-N 1 0 248.301 2.486 20 30 BEEDRO Cc1cc(C)n(CCC[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000442632562 387809471 /nfs/dbraw/zinc/80/94/71/387809471.db2.gz DNPLUWMIVDWDDJ-KGLIPLIRSA-N 1 0 246.358 2.172 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOc2ccccc2F)C1 ZINC000442633147 387809913 /nfs/dbraw/zinc/80/99/13/387809913.db2.gz HZICIYCELAOWLP-NWDGAFQWSA-N 1 0 248.301 2.486 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000528004317 387810057 /nfs/dbraw/zinc/81/00/57/387810057.db2.gz FADZOTYJPLSJKE-ASHHDVGLSA-N 1 0 222.332 2.080 20 30 BEEDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000528006013 387820917 /nfs/dbraw/zinc/82/09/17/387820917.db2.gz MEHRJQLDLSLPFS-XQHKEYJVSA-N 1 0 222.332 2.224 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc(F)c2)C1 ZINC000442719207 387829379 /nfs/dbraw/zinc/82/93/79/387829379.db2.gz REKWEEDIVWUUGN-DGCLKSJQSA-N 1 0 248.301 2.486 20 30 BEEDRO C[C@H](CN1CCCCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442726221 387830261 /nfs/dbraw/zinc/83/02/61/387830261.db2.gz RVJXQFSIMHYYGE-MCIONIFRSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CN1CCCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442726219 387830969 /nfs/dbraw/zinc/83/09/69/387830969.db2.gz RVJXQFSIMHYYGE-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]Cc1ccc(C#N)s1 ZINC000295136243 387835261 /nfs/dbraw/zinc/83/52/61/387835261.db2.gz YWYANGJRNVHVLI-SECBINFHSA-N 1 0 238.356 2.259 20 30 BEEDRO CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442770210 387836860 /nfs/dbraw/zinc/83/68/60/387836860.db2.gz RCYQPJFMJGUUOX-MCIONIFRSA-N 1 0 235.375 2.000 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCNc2ccccn2)C1 ZINC000442774463 387837630 /nfs/dbraw/zinc/83/76/30/387837630.db2.gz ZEVPJGGNZCHTJM-OLZOCXBDSA-N 1 0 244.342 2.165 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442785946 387839059 /nfs/dbraw/zinc/83/90/59/387839059.db2.gz WLTPOTHJAAPORC-KFWWJZLASA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000442786798 387839116 /nfs/dbraw/zinc/83/91/16/387839116.db2.gz CFFAZICEAAONSZ-CHWSQXEVSA-N 1 0 230.311 2.217 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC[C@H]1O ZINC000442784635 387839885 /nfs/dbraw/zinc/83/98/85/387839885.db2.gz UKDFCSUWFNQRBX-REWJHTLYSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCC(C)CC1 ZINC000442792711 387841416 /nfs/dbraw/zinc/84/14/16/387841416.db2.gz MWRPIHHACDPLBI-QLFBSQMISA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCC(C)CC1 ZINC000442792712 387841793 /nfs/dbraw/zinc/84/17/93/387841793.db2.gz MWRPIHHACDPLBI-RBSFLKMASA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000442788540 387842429 /nfs/dbraw/zinc/84/24/29/387842429.db2.gz CCLCIEDHCKUBJK-KWCYVHTRSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442798400 387842904 /nfs/dbraw/zinc/84/29/04/387842904.db2.gz WXCOEMIHOKPWOQ-BNOWGMLFSA-N 1 0 246.358 2.110 20 30 BEEDRO N#CCCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423027033 387844492 /nfs/dbraw/zinc/84/44/92/387844492.db2.gz CRZKSWRWQYHBAM-CHWSQXEVSA-N 1 0 215.300 2.025 20 30 BEEDRO Cc1cccc(NCC[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000442834440 387848553 /nfs/dbraw/zinc/84/85/53/387848553.db2.gz DGMSHPDKGMKRCG-QWHCGFSZSA-N 1 0 244.342 2.084 20 30 BEEDRO C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000442843380 387849882 /nfs/dbraw/zinc/84/98/82/387849882.db2.gz SKZCDPJLEUQIMF-SYQHCUMBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000442843381 387850190 /nfs/dbraw/zinc/85/01/90/387850190.db2.gz SKZCDPJLEUQIMF-YIYPIFLZSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1csc(C)n1 ZINC000424165723 387852554 /nfs/dbraw/zinc/85/25/54/387852554.db2.gz AWVNKLVBWBNVCH-JQWIXIFHSA-N 1 0 238.356 2.132 20 30 BEEDRO CC#CC[N@@H+]1CCc2cccc(OC)c2CC1 ZINC000193709911 387861462 /nfs/dbraw/zinc/86/14/62/387861462.db2.gz TYULAFALDKHIAZ-UHFFFAOYSA-N 1 0 229.323 2.119 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@H]2CCCC[C@@H]2C)nn1 ZINC000424172063 387864206 /nfs/dbraw/zinc/86/42/06/387864206.db2.gz NGJOHTXERDBSEE-QWHCGFSZSA-N 1 0 248.374 2.380 20 30 BEEDRO N#CCC1(C[NH2+]C2Cc3ccccc3C2)CC1 ZINC000236164645 387875676 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/nfs/dbraw/zinc/90/41/62/387904162.db2.gz UQWLYPXVJLQKDY-AAEUAGOBSA-N 1 0 229.327 2.358 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424188366 387907845 /nfs/dbraw/zinc/90/78/45/387907845.db2.gz BXZDLCZOMFYITL-RFQIPJPRSA-N 1 0 236.359 2.472 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000444712540 387915084 /nfs/dbraw/zinc/91/50/84/387915084.db2.gz ZIPASEMFBBNKAN-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO C=CC[C@@H]1[N@H+](C[C@H](O)COC)CCCC1(C)C ZINC000444780242 387929859 /nfs/dbraw/zinc/92/98/59/387929859.db2.gz ZYLNQVROYMLKDF-STQMWFEESA-N 1 0 241.375 2.060 20 30 BEEDRO C#CCOc1ccc(C[N@@H+](C)[C@H](C)COC)cc1 ZINC000179370669 387928993 /nfs/dbraw/zinc/92/89/93/387928993.db2.gz QVFRMZIGPRYCTH-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000424296480 387956555 /nfs/dbraw/zinc/95/65/55/387956555.db2.gz ORVIFBWTRXQPRK-RFGFWPKPSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)N1CCC[C@H]1C ZINC000438794932 387956059 /nfs/dbraw/zinc/95/60/59/387956059.db2.gz UEMVEZHXNPNDCB-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001645445342 1172666449 /nfs/dbraw/zinc/66/64/49/1172666449.db2.gz PQEZVDBGUWCHMD-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)nn1 ZINC000424298634 387958450 /nfs/dbraw/zinc/95/84/50/387958450.db2.gz STTBMHYJONHLQB-MBNYWOFBSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC1(C)C ZINC000424297685 387958489 /nfs/dbraw/zinc/95/84/89/387958489.db2.gz RASSYQUPGGMIBZ-SRVKXCTJSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC(C)(C)C2)nn1 ZINC000424297974 387959470 /nfs/dbraw/zinc/95/94/70/387959470.db2.gz RQUHAFHCHSAWIK-LLVKDONJSA-N 1 0 234.347 2.132 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000424300948 387960000 /nfs/dbraw/zinc/96/00/00/387960000.db2.gz YUBPHOOHEHRBLD-XQHKEYJVSA-N 1 0 247.342 2.070 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nccs1 ZINC000424300607 387960789 /nfs/dbraw/zinc/96/07/89/387960789.db2.gz YAUPYJMZFRNAGG-DCAQKATOSA-N 1 0 238.356 2.385 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cncs1 ZINC000424300681 387960940 /nfs/dbraw/zinc/96/09/40/387960940.db2.gz YMKJBHLIIPNRNK-DCAQKATOSA-N 1 0 238.356 2.385 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](CC)[C@H]2CC2(C)C)nn1 ZINC000424300457 387961044 /nfs/dbraw/zinc/96/10/44/387961044.db2.gz XROIJRFITISIGL-CHWSQXEVSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CC(CC(=O)OC)C1 ZINC000424308456 387964003 /nfs/dbraw/zinc/96/40/03/387964003.db2.gz AETHXSACNDFVTF-UHFFFAOYSA-N 1 0 225.332 2.130 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000424316710 387967342 /nfs/dbraw/zinc/96/73/42/387967342.db2.gz BETCVLGFWHLYHT-LOWDOPEQSA-N 1 0 217.316 2.351 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000424316714 387967866 /nfs/dbraw/zinc/96/78/66/387967866.db2.gz BETCVLGFWHLYHT-LPWJVIDDSA-N 1 0 217.316 2.351 20 30 BEEDRO C[C@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318703 387968167 /nfs/dbraw/zinc/96/81/67/387968167.db2.gz DHGKPBANVINFNY-KWCYVHTRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@@H+](CC[C@H](C)O)Cc1cccc(C#N)c1 ZINC000438980578 387968957 /nfs/dbraw/zinc/96/89/57/387968957.db2.gz SCBVKHOFVTYDSD-ZDUSSCGKSA-N 1 0 244.338 2.317 20 30 BEEDRO Cc1ncc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000424319067 387969537 /nfs/dbraw/zinc/96/95/37/387969537.db2.gz DKMYXNXONPFKPZ-WCFLWFBJSA-N 1 0 244.342 2.436 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCOC1 ZINC000424323440 387970865 /nfs/dbraw/zinc/97/08/65/387970865.db2.gz JBZHXZKZXKQNNM-UMSGYPCISA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C)[C@H]1CO ZINC000194360231 387980707 /nfs/dbraw/zinc/98/07/07/387980707.db2.gz HFDHBWQVQIGICO-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCNC1 ZINC000423188630 387973093 /nfs/dbraw/zinc/97/30/93/387973093.db2.gz LVOUIUSPYFWCRE-CHWSQXEVSA-N 1 0 210.365 2.463 20 30 BEEDRO C=C(CC)C[N@@H+]1CCc2ncsc2C1 ZINC000445845181 387975029 /nfs/dbraw/zinc/97/50/29/387975029.db2.gz PDNBHRXOXTVSTC-UHFFFAOYSA-N 1 0 208.330 2.467 20 30 BEEDRO CC[C@](C)(C#N)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339631 387982693 /nfs/dbraw/zinc/98/26/93/387982693.db2.gz DLQDRGOYHAGPTA-GFCCVEGCSA-N 1 0 248.330 2.379 20 30 BEEDRO CC#CCCN1CC[NH+](C2CCCCC2)CC1 ZINC000156480823 387983978 /nfs/dbraw/zinc/98/39/78/387983978.db2.gz GXAAMEVQGQUSGS-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CCC[N@@H+](C)CCc1cccc(C)n1 ZINC000645885960 387984304 /nfs/dbraw/zinc/98/43/04/387984304.db2.gz SFYSTPQZHXEZMK-UHFFFAOYSA-N 1 0 204.317 2.440 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1C ZINC000245847967 387985857 /nfs/dbraw/zinc/98/58/57/387985857.db2.gz CNBUDEZNYXLHGJ-FRRDWIJNSA-N 1 0 219.332 2.408 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453150071 387998618 /nfs/dbraw/zinc/99/86/18/387998618.db2.gz UCDLSMZYXSNBKQ-VXGBXAGGSA-N 1 0 227.348 2.125 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C12CCC2 ZINC000453191816 388007178 /nfs/dbraw/zinc/00/71/78/388007178.db2.gz FUMXKDYUTQYMHY-FVCCEPFGSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](CC)c1ccncc1 ZINC000453197485 388008547 /nfs/dbraw/zinc/00/85/47/388008547.db2.gz NHIDYXGJSYOYJA-CHWSQXEVSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453234834 388018488 /nfs/dbraw/zinc/01/84/88/388018488.db2.gz YUEFURUMDKJRRB-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H]1CCCOC1 ZINC000446759533 388037780 /nfs/dbraw/zinc/03/77/80/388037780.db2.gz GKNRMURBVBCGPV-RFQIPJPRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)C1CC1 ZINC000453269013 388030086 /nfs/dbraw/zinc/03/00/86/388030086.db2.gz LLXVGHAVAYFUQM-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H](OCC)C1(C)C ZINC000453340748 388051827 /nfs/dbraw/zinc/05/18/27/388051827.db2.gz CIPNXFOQAFAZJF-YVECIDJPSA-N 1 0 239.359 2.123 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000160192204 388052184 /nfs/dbraw/zinc/05/21/84/388052184.db2.gz ZHARBMBBEQDCMQ-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccco1 ZINC000453341821 388052238 /nfs/dbraw/zinc/05/22/38/388052238.db2.gz CZDMHXKWALZIGP-AXFHLTTASA-N 1 0 207.273 2.274 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000453347095 388054084 /nfs/dbraw/zinc/05/40/84/388054084.db2.gz HJCSSHARJCOVSV-GDLCADMTSA-N 1 0 247.342 2.088 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccncc1F ZINC000453359761 388058025 /nfs/dbraw/zinc/05/80/25/388058025.db2.gz PFKRPGZHSUYVJY-WDEREUQCSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@H]1CCOC ZINC000453360493 388058276 /nfs/dbraw/zinc/05/82/76/388058276.db2.gz OHLWCNUNZBOTRU-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC1(CO)CC1)C1CC1 ZINC000453363385 388060282 /nfs/dbraw/zinc/06/02/82/388060282.db2.gz UYLCCZZBZGOCTK-CYBMUJFWSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC1(C)C ZINC000453362558 388060450 /nfs/dbraw/zinc/06/04/50/388060450.db2.gz QWECSITWJZBIRC-WOPDTQHZSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000536891503 388081668 /nfs/dbraw/zinc/08/16/68/388081668.db2.gz HAYCQBXSEQCJHY-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)nc1 ZINC000453434539 388081982 /nfs/dbraw/zinc/08/19/82/388081982.db2.gz UHQSQOHWHLZQID-GXTWGEPZSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CCCCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000447815219 388094747 /nfs/dbraw/zinc/09/47/47/388094747.db2.gz DXRGQOQSUSJCPD-UHFFFAOYSA-N 1 0 248.374 2.466 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000447848800 388098266 /nfs/dbraw/zinc/09/82/66/388098266.db2.gz NBKZAAZGVSEHDI-IHRRRGAJSA-N 1 0 239.359 2.221 20 30 BEEDRO COC[C@@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086035902 388099454 /nfs/dbraw/zinc/09/94/54/388099454.db2.gz IYKLFORWZHKXCE-LRVUVFPRSA-N 1 0 244.338 2.235 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449206957 388157419 /nfs/dbraw/zinc/15/74/19/388157419.db2.gz QEGCGXCYOHRXRN-HSBZDZAISA-N 1 0 236.359 2.233 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)Cc1ccoc1 ZINC000449212818 388158437 /nfs/dbraw/zinc/15/84/37/388158437.db2.gz VMMLTYRMPHTFKL-GFCCVEGCSA-N 1 0 223.316 2.393 20 30 BEEDRO C=CCSCC[NH2+]Cc1nc(C)cs1 ZINC000164135449 388159632 /nfs/dbraw/zinc/15/96/32/388159632.db2.gz ALUGHUNZRBFHPR-UHFFFAOYSA-N 1 0 228.386 2.460 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000449295869 388168687 /nfs/dbraw/zinc/16/86/87/388168687.db2.gz VTZPDJUIWZCVGZ-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1c(C)nnn1CC ZINC000449303413 388169869 /nfs/dbraw/zinc/16/98/69/388169869.db2.gz MBUBBDWUBWXNDQ-LLVKDONJSA-N 1 0 222.336 2.051 20 30 BEEDRO C=CC(C)(C)CNC(=O)CC1CC[NH+](C)CC1 ZINC000456116161 388179669 /nfs/dbraw/zinc/17/96/69/388179669.db2.gz LPEGUANSJWVMPS-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1ccnc(OC)n1 ZINC000449372861 388185510 /nfs/dbraw/zinc/18/55/10/388185510.db2.gz LTWGZFNHRLFSGR-MNOVXSKESA-N 1 0 235.331 2.176 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000448883479 388117318 /nfs/dbraw/zinc/11/73/18/388117318.db2.gz QXXRFVFVTFTYHD-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO COCC#CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000646025608 388126461 /nfs/dbraw/zinc/12/64/61/388126461.db2.gz FURPSBSQUFVNPR-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCC(C)(C)C ZINC000646027611 388126989 /nfs/dbraw/zinc/12/69/89/388126989.db2.gz RZCJDKOERDYLKW-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCCCNC1=O ZINC000449079148 388139642 /nfs/dbraw/zinc/13/96/42/388139642.db2.gz XHGCWIUVUONCND-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)C[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646100624 388143098 /nfs/dbraw/zinc/14/30/98/388143098.db2.gz YJFUBRAIZNZWQC-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO COCC[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111344 388143390 /nfs/dbraw/zinc/14/33/90/388143390.db2.gz LBYXRUHMKSDCPD-PNESKVBLSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1nccn1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449108452 388143666 /nfs/dbraw/zinc/14/36/66/388143666.db2.gz QVYVWTJKSDVNEG-UHFFFAOYSA-N 1 0 246.358 2.254 20 30 BEEDRO CC(C)[C@@H](O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449152027 388149100 /nfs/dbraw/zinc/14/91/00/388149100.db2.gz CLFDLOWSARGYAZ-MOKVOYLWSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449185050 388154931 /nfs/dbraw/zinc/15/49/31/388154931.db2.gz FRROQBUUASEXEN-SECBINFHSA-N 1 0 202.257 2.492 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCc1ccc(C)nc1 ZINC000490740071 388251714 /nfs/dbraw/zinc/25/17/14/388251714.db2.gz MFYNBHMISSBEGW-ZDUSSCGKSA-N 1 0 216.328 2.276 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@](C)(O)COC ZINC000449384166 388189741 /nfs/dbraw/zinc/18/97/41/388189741.db2.gz MKIVDRKMGWHMJU-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449416376 388199351 /nfs/dbraw/zinc/19/93/51/388199351.db2.gz SRSDVQRZEWUSGQ-UTUOFQBUSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000449422668 388201126 /nfs/dbraw/zinc/20/11/26/388201126.db2.gz NCAVSXLLTMSASZ-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449428500 388202967 /nfs/dbraw/zinc/20/29/67/388202967.db2.gz RMWZYGOZCXGLTO-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000313158143 256542278 /nfs/dbraw/zinc/54/22/78/256542278.db2.gz OVSUSIOWDNNFEQ-KBPBESRZSA-N 1 0 232.327 2.197 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000456518434 388205971 /nfs/dbraw/zinc/20/59/71/388205971.db2.gz HTNLMUVUDKTBAB-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446214 388208451 /nfs/dbraw/zinc/20/84/51/388208451.db2.gz OXFFFQYKYFDXOK-ABHRYQDASA-N 1 0 247.386 2.141 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449449408 388209456 /nfs/dbraw/zinc/20/94/56/388209456.db2.gz LGLBTSKNIPVIAH-IJLUTSLNSA-N 1 0 224.348 2.208 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000449469474 388212856 /nfs/dbraw/zinc/21/28/56/388212856.db2.gz MPYMYOGZRRJRDL-GFCCVEGCSA-N 1 0 246.301 2.018 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000449473229 388213856 /nfs/dbraw/zinc/21/38/56/388213856.db2.gz GZPODGXBNMTIQA-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)CCn1cccn1 ZINC000449484014 388216006 /nfs/dbraw/zinc/21/60/06/388216006.db2.gz DTFBFXFJNSAZCU-LBPRGKRZSA-N 1 0 221.348 2.464 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc(C)nc1 ZINC000449486217 388216794 /nfs/dbraw/zinc/21/67/94/388216794.db2.gz REQMEOFQDGZUBQ-UHFFFAOYSA-N 1 0 205.305 2.087 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1cccc(CC#N)c1 ZINC000456725064 388217050 /nfs/dbraw/zinc/21/70/50/388217050.db2.gz GBLUQHLFJNBHHT-UHFFFAOYSA-N 1 0 245.326 2.033 20 30 BEEDRO C=C(CC)C[N@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000489470569 388217335 /nfs/dbraw/zinc/21/73/35/388217335.db2.gz GBSUHAWUZPFRKL-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)CC(F)(F)F ZINC000489473923 388217403 /nfs/dbraw/zinc/21/74/03/388217403.db2.gz JKTQILVOGFBIFX-NXEZZACHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCC(=O)NCCCC ZINC000489476178 388217677 /nfs/dbraw/zinc/21/76/77/388217677.db2.gz MQMHASQLYZKVOH-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C=C ZINC000489504448 388219211 /nfs/dbraw/zinc/21/92/11/388219211.db2.gz ADISUNNSDDGXFN-QWHCGFSZSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000449519797 388221005 /nfs/dbraw/zinc/22/10/05/388221005.db2.gz NKRHZDVVTPQGKW-QCNOEVLYSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CC)nc1 ZINC000449517536 388222724 /nfs/dbraw/zinc/22/27/24/388222724.db2.gz GKGFEVZVSVWFAP-KGLIPLIRSA-N 1 0 232.327 2.077 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ccccc1F ZINC000449521190 388223261 /nfs/dbraw/zinc/22/32/61/388223261.db2.gz RCQTYJOZYWDKDD-KGLIPLIRSA-N 1 0 235.302 2.301 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(O)c1 ZINC000449546664 388228645 /nfs/dbraw/zinc/22/86/45/388228645.db2.gz CYEQLXXJPNMHRN-KGLIPLIRSA-N 1 0 233.311 2.215 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449547332 388228825 /nfs/dbraw/zinc/22/88/25/388228825.db2.gz HVAMTJCFDTXDIY-RVMXOQNASA-N 1 0 220.316 2.002 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)COC(C)C ZINC000449548035 388229497 /nfs/dbraw/zinc/22/94/97/388229497.db2.gz KWONJVPPYJCSCB-UPJWGTAASA-N 1 0 227.348 2.123 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(C)s1 ZINC000449548451 388230052 /nfs/dbraw/zinc/23/00/52/388230052.db2.gz NJBMXSXPZDXCGW-NEPJUHHUSA-N 1 0 238.356 2.275 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc(C)n1 ZINC000449549682 388230067 /nfs/dbraw/zinc/23/00/67/388230067.db2.gz ZZYKGOCZRLNKRY-NEPJUHHUSA-N 1 0 238.356 2.275 20 30 BEEDRO C=CCCCCC[N@@H+](CCOC)[C@H]1CCOC1 ZINC000490089974 388234759 /nfs/dbraw/zinc/23/47/59/388234759.db2.gz GWQWTMJQMVHAGQ-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000037215338 388237742 /nfs/dbraw/zinc/23/77/42/388237742.db2.gz NOXOMBXNGUGPBN-BXUZGUMPSA-N 1 0 230.311 2.388 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CC[S@](C)=O ZINC000164634059 388241982 /nfs/dbraw/zinc/24/19/82/388241982.db2.gz OXFOUMFLGFISHN-MISXGVKJSA-N 1 0 217.378 2.088 20 30 BEEDRO CCOCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037269341 388243265 /nfs/dbraw/zinc/24/32/65/388243265.db2.gz YYYPYYWXMOLUBC-LLVKDONJSA-N 1 0 218.300 2.245 20 30 BEEDRO CCc1ncc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)o1 ZINC000449611858 388243618 /nfs/dbraw/zinc/24/36/18/388243618.db2.gz ZCGWGJDCLSDULA-MNOVXSKESA-N 1 0 233.315 2.409 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000449626160 388244921 /nfs/dbraw/zinc/24/49/21/388244921.db2.gz DCTWJKVYRRGRIT-IMIFBBOLSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](O)CN(CC(F)F)CC(C)(C)CCC#N ZINC000449625598 388245451 /nfs/dbraw/zinc/24/54/51/388245451.db2.gz BPKMEMVLJRETMI-JTQLQIEISA-N 1 0 248.317 2.264 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449640578 388245865 /nfs/dbraw/zinc/24/58/65/388245865.db2.gz SJTKSQGUOWLWQJ-NDBYEHHHSA-N 1 0 224.348 2.208 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000451555224 388281487 /nfs/dbraw/zinc/28/14/87/388281487.db2.gz HPLKKAJHDOMDLZ-JHJVBQTASA-N 1 0 236.359 2.426 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCC(C)(C)C#N)C[C@@H]1C ZINC000451556016 388281621 /nfs/dbraw/zinc/28/16/21/388281621.db2.gz CKYGWVFWKRETPT-NWDGAFQWSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCSC(C)C ZINC000451610966 388283741 /nfs/dbraw/zinc/28/37/41/388283741.db2.gz HGURGYGTOKRPDZ-MNOVXSKESA-N 1 0 215.362 2.061 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000451609755 388283944 /nfs/dbraw/zinc/28/39/44/388283944.db2.gz WBCXZAOSGLOSAK-KGLIPLIRSA-N 1 0 246.285 2.130 20 30 BEEDRO C#CCN(Cc1ccsc1C(=O)OC)C1CC1 ZINC000491316994 388285086 /nfs/dbraw/zinc/28/50/86/388285086.db2.gz ZAYOFPGYPBSCNK-UHFFFAOYSA-N 1 0 249.335 2.132 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCSC ZINC000451674176 388289330 /nfs/dbraw/zinc/28/93/30/388289330.db2.gz MWTIKLYXSBLRBW-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCC(F)(F)C1 ZINC000491381505 388290085 /nfs/dbraw/zinc/29/00/85/388290085.db2.gz FSYXRUKDQWEUNK-JTQLQIEISA-N 1 0 201.260 2.377 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)nn(CCC)c1C ZINC000491384099 388290811 /nfs/dbraw/zinc/29/08/11/388290811.db2.gz NLJUVJONCGFKTG-ZDUSSCGKSA-N 1 0 233.359 2.411 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451720240 388291264 /nfs/dbraw/zinc/29/12/64/388291264.db2.gz XWXJHVSQRFONNF-JHJVBQTASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451720235 388291430 /nfs/dbraw/zinc/29/14/30/388291430.db2.gz XWXJHVSQRFONNF-AGIUHOORSA-N 1 0 209.333 2.045 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451720128 388291713 /nfs/dbraw/zinc/29/17/13/388291713.db2.gz XTGXVNMMUVAIHH-MGPQQGTHSA-N 1 0 236.359 2.163 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)CCC(C)C)C(C)C ZINC000491395483 388291760 /nfs/dbraw/zinc/29/17/60/388291760.db2.gz SOSYXXOLEJMAOJ-STQMWFEESA-N 1 0 211.349 2.031 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CC1(CC)CCOCC1 ZINC000491404935 388292287 /nfs/dbraw/zinc/29/22/87/388292287.db2.gz FORKIFGGWDRWED-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CC1(CC)CCOCC1 ZINC000491404934 388292584 /nfs/dbraw/zinc/29/25/84/388292584.db2.gz FORKIFGGWDRWED-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CC1(OC)CCCCC1 ZINC000491414392 388293023 /nfs/dbraw/zinc/29/30/23/388293023.db2.gz CJJLJVHYVKBVMR-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCCC[N@@H+]1CC[S@](=O)C(C)(C)CC1 ZINC000451751051 388293314 /nfs/dbraw/zinc/29/33/14/388293314.db2.gz AMBDCJTXWLKGTL-HNNXBMFYSA-N 1 0 229.389 2.186 20 30 BEEDRO C[N@H+](CCCCC#N)[C@@H](CO)CC(C)(C)C ZINC000451781175 388295460 /nfs/dbraw/zinc/29/54/60/388295460.db2.gz OPDNGVIXYZNLJS-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1sc(C)nc1C ZINC000491454168 388295837 /nfs/dbraw/zinc/29/58/37/388295837.db2.gz WLKUYKTXCFOEHS-MRVPVSSYSA-N 1 0 208.330 2.213 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)nn1C)C1CCCCC1 ZINC000491465695 388296590 /nfs/dbraw/zinc/29/65/90/388296590.db2.gz XHIHETJNUKWLRF-UHFFFAOYSA-N 1 0 245.370 2.496 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000451875787 388302299 /nfs/dbraw/zinc/30/22/99/388302299.db2.gz DBFRDGZDKKSMIC-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000491621439 388305414 /nfs/dbraw/zinc/30/54/14/388305414.db2.gz DNOCDAFMTXYATO-LBPRGKRZSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@H](CCC)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000491624700 388305870 /nfs/dbraw/zinc/30/58/70/388305870.db2.gz JTRFSJBLVMWLCC-VXGBXAGGSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCOc1ccccc1OC ZINC000491656559 388308663 /nfs/dbraw/zinc/30/86/63/388308663.db2.gz TULMNQLQLCEVMN-GFCCVEGCSA-N 1 0 233.311 2.028 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2c(C)cccn12)C(C)C ZINC000491659194 388308746 /nfs/dbraw/zinc/30/87/46/388308746.db2.gz CHOARWBGYUUAAB-CQSZACIVSA-N 1 0 241.338 2.390 20 30 BEEDRO C#CC[N@@H+](CCn1ccnc1C)C1CCCC1 ZINC000491667877 388309683 /nfs/dbraw/zinc/30/96/83/388309683.db2.gz YBHVWNMZQQUQOM-UHFFFAOYSA-N 1 0 231.343 2.069 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000491672362 388309765 /nfs/dbraw/zinc/30/97/65/388309765.db2.gz YJWOOFDIZYHLHR-GFCCVEGCSA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000491698500 388312439 /nfs/dbraw/zinc/31/24/39/388312439.db2.gz CQCDXSFNUOTUHF-LBPRGKRZSA-N 1 0 217.312 2.457 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)[C@@H](C)c1ccccc1)C1CC1 ZINC000491700626 388312620 /nfs/dbraw/zinc/31/26/20/388312620.db2.gz GMOQNAPCRMHEQX-BBRMVZONSA-N 1 0 243.350 2.249 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000491700460 388312630 /nfs/dbraw/zinc/31/26/30/388312630.db2.gz KHGCEXBJMBGMDR-CYBMUJFWSA-N 1 0 231.343 2.039 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000491702286 388312904 /nfs/dbraw/zinc/31/29/04/388312904.db2.gz RABVOVOKLHTGEZ-SNVBAGLBSA-N 1 0 232.283 2.357 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N(CC)CC)c1ccc(F)cc1 ZINC000491709466 388313682 /nfs/dbraw/zinc/31/36/82/388313682.db2.gz RLSVUGSQEMFJFC-ZDUSSCGKSA-N 1 0 247.317 2.366 20 30 BEEDRO C#C[C@H](C)N(C)Cc1nc(-c2ccsc2)no1 ZINC000491711508 388313718 /nfs/dbraw/zinc/31/37/18/388313718.db2.gz VIKJSJPCCSYXMH-VIFPVBQESA-N 1 0 247.323 2.252 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000491723285 388314678 /nfs/dbraw/zinc/31/46/78/388314678.db2.gz BIEBCWMPKDXRIZ-WDEREUQCSA-N 1 0 209.333 2.191 20 30 BEEDRO C#CCN(CC#CC)Cc1scnc1C1CC1 ZINC000491732574 388315813 /nfs/dbraw/zinc/31/58/13/388315813.db2.gz ALHSWHWCNYKCLV-UHFFFAOYSA-N 1 0 244.363 2.479 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C(C)(C)C)C1CCCC1 ZINC000491731554 388315817 /nfs/dbraw/zinc/31/58/17/388315817.db2.gz IRXSAYZAKQVCFH-ZDUSSCGKSA-N 1 0 223.360 2.271 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000491752046 388317961 /nfs/dbraw/zinc/31/79/61/388317961.db2.gz YUQARWVXLFVIAC-LLVKDONJSA-N 1 0 248.326 2.001 20 30 BEEDRO C#CC[N@@H+](Cc1cncc(OC)c1)C1CCCC1 ZINC000491754409 388318305 /nfs/dbraw/zinc/31/83/05/388318305.db2.gz SOKOYHGQPMRCSH-UHFFFAOYSA-N 1 0 244.338 2.468 20 30 BEEDRO C#CC[N@@H+](C[C@H]1C[C@@H](O)C1)C1CCCCC1 ZINC000491770957 388318967 /nfs/dbraw/zinc/31/89/67/388318967.db2.gz POWQDXLHERPMRN-XBXGTLAGSA-N 1 0 221.344 2.025 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(N(C)CC)nc1)C(C)C ZINC000491777993 388320159 /nfs/dbraw/zinc/32/01/59/388320159.db2.gz HJFJXQLXSGVYDJ-AWEZNQCLSA-N 1 0 245.370 2.285 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1csc(C2CC2)n1 ZINC000491777576 388320202 /nfs/dbraw/zinc/32/02/02/388320202.db2.gz GHGLZMYSZBPBFQ-SECBINFHSA-N 1 0 220.341 2.474 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(O[C@H](C)C#N)cc1 ZINC000491782441 388320580 /nfs/dbraw/zinc/32/05/80/388320580.db2.gz NHGDGWAWZVUMCA-CYBMUJFWSA-N 1 0 242.322 2.433 20 30 BEEDRO C#C[C@H](C)N(C)CC[N@H+](C)Cc1ccccc1 ZINC000491811144 388322547 /nfs/dbraw/zinc/32/25/47/388322547.db2.gz KVHZZAROPNFLOG-AWEZNQCLSA-N 1 0 230.355 2.072 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1cncs1 ZINC000491816764 388323408 /nfs/dbraw/zinc/32/34/08/388323408.db2.gz XJKJSJSHWFLIDG-UHFFFAOYSA-N 1 0 208.330 2.029 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367633 388266144 /nfs/dbraw/zinc/26/61/44/388266144.db2.gz KHVIPCXNGCXUIZ-JKJDWNRSSA-N 1 0 247.382 2.458 20 30 BEEDRO C#CC[N@@H+](CCCOCC=C)C1CCCC1 ZINC000491040366 388266660 /nfs/dbraw/zinc/26/66/60/388266660.db2.gz TVVAWDGZRXUFKH-UHFFFAOYSA-N 1 0 221.344 2.457 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000491101774 388269383 /nfs/dbraw/zinc/26/93/83/388269383.db2.gz KXZLIZIMXXZSGI-JSGCOSHPSA-N 1 0 217.312 2.328 20 30 BEEDRO C#CC[N@@H+](CCC1(OC)CCC1)C1CC1 ZINC000491119277 388269606 /nfs/dbraw/zinc/26/96/06/388269606.db2.gz HYURMMMNEGVNRD-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO CO[C@@]1(C)C[C@@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451485998 388277108 /nfs/dbraw/zinc/27/71/08/388277108.db2.gz JNOOIHQCYGTHIQ-PWSUYJOCSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CCCSCC#N)C1(C)C ZINC000451485914 388277268 /nfs/dbraw/zinc/27/72/68/388277268.db2.gz DHXOFABXRCNIHE-GHMZBOCLSA-N 1 0 242.388 2.036 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CC2)[C@H]2CCCO[C@@H]21 ZINC000451481098 388277378 /nfs/dbraw/zinc/27/73/78/388277378.db2.gz SIBOLBDDRXKGAD-UTUOFQBUSA-N 1 0 234.343 2.083 20 30 BEEDRO CC#CCC[N@H+]1CC[C@H](OCC)[C@@H](C)C1 ZINC000451542643 388277816 /nfs/dbraw/zinc/27/78/16/388277816.db2.gz NWBBZWRMTAAEMI-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCn1ccc(CN(CC)CC[C@@H](C)F)n1 ZINC000491210440 388277892 /nfs/dbraw/zinc/27/78/92/388277892.db2.gz UJGFEVRTXINHNJ-GFCCVEGCSA-N 1 0 237.322 2.086 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)C(C)(C)C ZINC000491252932 388280246 /nfs/dbraw/zinc/28/02/46/388280246.db2.gz KNGWCFUOILUGCW-AXFHLTTASA-N 1 0 211.374 2.375 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)cc1OC ZINC000491252332 388280327 /nfs/dbraw/zinc/28/03/27/388280327.db2.gz HLYQYBZSNLGIAE-GFCCVEGCSA-N 1 0 217.312 2.457 20 30 BEEDRO CC#CCC[N@H+]1CC[C@@H](OCC)[C@@H](C)C1 ZINC000451542642 388280586 /nfs/dbraw/zinc/28/05/86/388280586.db2.gz NWBBZWRMTAAEMI-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H](O)C[N@H+](Cc1cc(C#N)ccc1F)C1CC1 ZINC000594055885 388347106 /nfs/dbraw/zinc/34/71/06/388347106.db2.gz PGLBBGUVEQRDMJ-JTQLQIEISA-N 1 0 248.301 2.043 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000276694559 388350794 /nfs/dbraw/zinc/35/07/94/388350794.db2.gz VDGJUGFJXFZOKT-AXFHLTTASA-N 1 0 222.336 2.066 20 30 BEEDRO CCOC1CN(Cc2ccc(C#N)c(C)c2)C1 ZINC000459576250 388363798 /nfs/dbraw/zinc/36/37/98/388363798.db2.gz AEGDQGGCHFBVIT-UHFFFAOYSA-N 1 0 230.311 2.087 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+]1CCOc1cccc(C#N)c1 ZINC000548753432 388368236 /nfs/dbraw/zinc/36/82/36/388368236.db2.gz WSJJOGSAALUFQH-TXEJJXNPSA-N 1 0 230.311 2.420 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000572711110 388368767 /nfs/dbraw/zinc/36/87/67/388368767.db2.gz MBGBBSGTSGLIHU-AWEZNQCLSA-N 1 0 248.374 2.346 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNCc1cccc(C#N)c1 ZINC000217395523 388372244 /nfs/dbraw/zinc/37/22/44/388372244.db2.gz XSEWKMRYLIDRPC-CYBMUJFWSA-N 1 0 245.370 2.378 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055978 388376388 /nfs/dbraw/zinc/37/63/88/388376388.db2.gz NSUWJPNWJPHNTL-CQSZACIVSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CCCCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000572853685 388382138 /nfs/dbraw/zinc/38/21/38/388382138.db2.gz LHXKWCPMULBNPM-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164622922 388394652 /nfs/dbraw/zinc/39/46/52/388394652.db2.gz RBPRDGIYQKFWDQ-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)C(C)C ZINC000520390931 256671725 /nfs/dbraw/zinc/67/17/25/256671725.db2.gz PUEVZJXSQDKIHN-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C#N)C1(C)C ZINC000229815161 388398338 /nfs/dbraw/zinc/39/83/38/388398338.db2.gz AVLPYRDEKABBME-UONOGXRCSA-N 1 0 244.338 2.461 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1(C)C ZINC000229815149 388398705 /nfs/dbraw/zinc/39/87/05/388398705.db2.gz AVLPYRDEKABBME-ZIAGYGMSSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C\C2CCC2)CC1 ZINC000492089439 388334320 /nfs/dbraw/zinc/33/43/20/388334320.db2.gz ALUAVTQJYJGCMT-SREVYHEPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[NH2+]C(C)(C)CN1CCCC1 ZINC000308636970 388445833 /nfs/dbraw/zinc/44/58/33/388445833.db2.gz SIANKTVBYPBREA-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO CC[N@H+](C)CCNc1cc(C(C)=O)ccc1C#N ZINC000272543693 388457076 /nfs/dbraw/zinc/45/70/76/388457076.db2.gz QHHSCYNAJWLVLM-UHFFFAOYSA-N 1 0 245.326 2.124 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2c[nH]nc21 ZINC000309571729 388457275 /nfs/dbraw/zinc/45/72/75/388457275.db2.gz NUORRUTVVDOTQX-LBPRGKRZSA-N 1 0 213.284 2.064 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCCc1ccccc1 ZINC000649246392 388468341 /nfs/dbraw/zinc/46/83/41/388468341.db2.gz UBRPMXJWYZSYDA-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000193866613 388468390 /nfs/dbraw/zinc/46/83/90/388468390.db2.gz VJABKFWVJGBNGH-NSHDSACASA-N 1 0 205.305 2.165 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@H]1COCC)C(C)C ZINC000309909601 388468460 /nfs/dbraw/zinc/46/84/60/388468460.db2.gz LVTICQYOFTXWRO-MELADBBJSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)C ZINC000309996133 388472335 /nfs/dbraw/zinc/47/23/35/388472335.db2.gz ZBOSUPVTJMVDLD-ZIAGYGMSSA-N 1 0 235.302 2.107 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000172269100 388408948 /nfs/dbraw/zinc/40/89/48/388408948.db2.gz WINSPHLULXGWDK-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)CC ZINC000524811417 388410075 /nfs/dbraw/zinc/41/00/75/388410075.db2.gz JTJVMLSWNOESJR-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H](C)C[N@H+](CC)CCOCCC#N ZINC000339012291 388478903 /nfs/dbraw/zinc/47/89/03/388478903.db2.gz XIWNOFWSSYHSLM-GFCCVEGCSA-N 1 0 212.337 2.285 20 30 BEEDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271928306 388413139 /nfs/dbraw/zinc/41/31/39/388413139.db2.gz JWLGEGFTSUYETG-JOYOIKCWSA-N 1 0 236.290 2.119 20 30 BEEDRO C=CCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000524971703 388413895 /nfs/dbraw/zinc/41/38/95/388413895.db2.gz VKVSTGLLPINZGK-ZDUSSCGKSA-N 1 0 219.328 2.446 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C#N)c(F)c1 ZINC000271972823 388417292 /nfs/dbraw/zinc/41/72/92/388417292.db2.gz WZYBZZJGINWBSA-QWRGUYRKSA-N 1 0 248.301 2.384 20 30 BEEDRO CC[C@H]([NH2+]CCOCCC#N)C(C)(C)C ZINC000339074259 388479696 /nfs/dbraw/zinc/47/96/96/388479696.db2.gz BQSPACOAAIADAJ-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H]([NH2+]CCn1ccnc1)c1ccc(C#N)cc1 ZINC000041119094 388432449 /nfs/dbraw/zinc/43/24/49/388432449.db2.gz OKIISZFJYLEYEM-LBPRGKRZSA-N 1 0 240.310 2.106 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3OCCC[C@H]3C2)o1 ZINC000245762989 388432495 /nfs/dbraw/zinc/43/24/95/388432495.db2.gz QBONWFXJDOTUPI-SMDDNHRTSA-N 1 0 246.310 2.152 20 30 BEEDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000094941661 388433520 /nfs/dbraw/zinc/43/35/20/388433520.db2.gz QOLIDTAIYNHPCC-RYUDHWBXSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC#N ZINC000449231101 256782218 /nfs/dbraw/zinc/78/22/18/256782218.db2.gz CLVCVUJEIIVUSI-NSHDSACASA-N 1 0 247.298 2.419 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397810990 388502258 /nfs/dbraw/zinc/50/22/58/388502258.db2.gz OGHKSZYHJARIRT-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(C)(CC)CC1 ZINC000649278327 388503743 /nfs/dbraw/zinc/50/37/43/388503743.db2.gz HMOFYVMMJMUFHK-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312262416 388509492 /nfs/dbraw/zinc/50/94/92/388509492.db2.gz OAUIXHMCHNRMBU-LBPRGKRZSA-N 1 0 221.275 2.336 20 30 BEEDRO C=CCNC(=O)C[NH2+]CCC1CCCCCC1 ZINC000348138068 388525819 /nfs/dbraw/zinc/52/58/19/388525819.db2.gz RXNOXKZIKPFCKD-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000136314931 388530223 /nfs/dbraw/zinc/53/02/23/388530223.db2.gz DJGGYXNIZBMASU-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO Cc1cc(C)c(C#N)c(SCC[NH+](C)C)n1 ZINC000095020324 388587220 /nfs/dbraw/zinc/58/72/20/388587220.db2.gz DTTVEAPHTJDKCZ-UHFFFAOYSA-N 1 0 235.356 2.224 20 30 BEEDRO C[C@]1([NH2+]Cc2ccc(C#N)o2)CCO[C@@H]1C1CC1 ZINC000273161105 388591152 /nfs/dbraw/zinc/59/11/52/388591152.db2.gz UECIAYKVFSBKGZ-KGLIPLIRSA-N 1 0 246.310 2.198 20 30 BEEDRO COC(C)(C)C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000549866155 388594172 /nfs/dbraw/zinc/59/41/72/388594172.db2.gz PJMICBKCMOXKIU-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCCC[NH+]1CCC([C@H](C)O)CC1 ZINC000649308325 388594661 /nfs/dbraw/zinc/59/46/61/388594661.db2.gz WPQBXJDWUJSPNP-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCCOC1 ZINC000355767783 388604575 /nfs/dbraw/zinc/60/45/75/388604575.db2.gz NILVPCHDXSSGRK-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H](Nc1ncccc1C#N)C(C)(C)C[NH+](C)C ZINC000301332058 388610590 /nfs/dbraw/zinc/61/05/90/388610590.db2.gz DZVMMNQLBBXYMY-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000301479796 388611855 /nfs/dbraw/zinc/61/18/55/388611855.db2.gz LZUWQCHMFBABEY-CABCVRRESA-N 1 0 244.338 2.463 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@@H]1CCC[C@H]1O ZINC000246084397 388615725 /nfs/dbraw/zinc/61/57/25/388615725.db2.gz CDDYHBRVIDGCPL-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000130697422 388565425 /nfs/dbraw/zinc/56/54/25/388565425.db2.gz RPCUGXWTKZQMPD-GXFFZTMASA-N 1 0 248.301 2.212 20 30 BEEDRO N#CCCN(CC[NH+]1CCCCC1)CC1CC1 ZINC000081044983 388566200 /nfs/dbraw/zinc/56/62/00/388566200.db2.gz GHYNVXFQNZUZGT-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000528770788 388570064 /nfs/dbraw/zinc/57/00/64/388570064.db2.gz ZNKUEIBOCXWSHL-KXNHARMFSA-N 1 0 224.348 2.328 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528786736 388573233 /nfs/dbraw/zinc/57/32/33/388573233.db2.gz JJVVADDONDCLLF-WWGRRREGSA-N 1 0 241.400 2.328 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528791803 388573949 /nfs/dbraw/zinc/57/39/49/388573949.db2.gz GQZUQXWGCIIISM-LBPRGKRZSA-N 1 0 233.315 2.285 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528787834 388574107 /nfs/dbraw/zinc/57/41/07/388574107.db2.gz IBDUCASSFGWJGV-GFCCVEGCSA-N 1 0 233.315 2.285 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C#N)s1 ZINC000552379717 388580901 /nfs/dbraw/zinc/58/09/01/388580901.db2.gz PFSTWRRTVYMHNF-DTWKUNHWSA-N 1 0 206.314 2.460 20 30 BEEDRO N#Cc1ccc(-c2nc(C3([NH3+])CCC3)no2)s1 ZINC000414626680 388665455 /nfs/dbraw/zinc/66/54/55/388665455.db2.gz KGURTUIGXLZMGW-UHFFFAOYSA-N 1 0 246.295 2.008 20 30 BEEDRO CCCCN(C)CC[NH2+]Cc1cccc(C#N)c1 ZINC000112376752 388667538 /nfs/dbraw/zinc/66/75/38/388667538.db2.gz FFFCOHXIBXHDAQ-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(C#N)cn1 ZINC000310209605 388668631 /nfs/dbraw/zinc/66/86/31/388668631.db2.gz UOFSVHIHMYFDHF-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO CCCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000552100478 388668995 /nfs/dbraw/zinc/66/89/95/388668995.db2.gz JZYKYHKBNFSZBN-MJBXVCDLSA-N 1 0 235.375 2.143 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@@H]2CCO)ccc1C#N ZINC000489022057 388671313 /nfs/dbraw/zinc/67/13/13/388671313.db2.gz ZUKQFRASLCFFTE-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1cc(C[NH2+]CC2(N(C)C)CC2)ccc1C#N ZINC000418110907 388675640 /nfs/dbraw/zinc/67/56/40/388675640.db2.gz CWUPSTQVTJRWPJ-UHFFFAOYSA-N 1 0 243.354 2.051 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(OC)cc1 ZINC000125770165 388676872 /nfs/dbraw/zinc/67/68/72/388676872.db2.gz POARDSCOHOMIOX-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C[N@@H+](Cc1cc(C#N)ccc1F)C[C@H]1CCOC1 ZINC000078436443 388680482 /nfs/dbraw/zinc/68/04/82/388680482.db2.gz XXUFJLSGBQWKRN-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1cc(C#N)cs1 ZINC000313130335 388681286 /nfs/dbraw/zinc/68/12/86/388681286.db2.gz BQSFEMCXOWGTCK-NWDGAFQWSA-N 1 0 238.356 2.259 20 30 BEEDRO C[NH+](C)[C@H](CNc1cccc(F)c1C#N)C1CC1 ZINC000078542622 388682787 /nfs/dbraw/zinc/68/27/87/388682787.db2.gz MEJQALYEWXCHTO-CQSZACIVSA-N 1 0 247.317 2.449 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCCCC ZINC000125942725 388683699 /nfs/dbraw/zinc/68/36/99/388683699.db2.gz LPFNXXBKAQPRNF-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO Cc1ccc(NCC[N@@H+](C)C(C)C)nc1C#N ZINC000302615458 388623336 /nfs/dbraw/zinc/62/33/36/388623336.db2.gz FVVFOIPMEBELGG-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CCCC[N@H+](C)CCNc1ccc(C)c(C#N)n1 ZINC000302637056 388624238 /nfs/dbraw/zinc/62/42/38/388624238.db2.gz KNJDPNJXAJBISX-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CNCC[C@H]1C ZINC000530213647 388628759 /nfs/dbraw/zinc/62/87/59/388628759.db2.gz ULVYVXYIZCPJSY-NEPJUHHUSA-N 1 0 210.365 2.176 20 30 BEEDRO N#Cc1csc(C[NH2+]CC[C@H]2CCOC2)c1 ZINC000230163540 388634877 /nfs/dbraw/zinc/63/48/77/388634877.db2.gz HALAKBUIFSHVOV-JTQLQIEISA-N 1 0 236.340 2.136 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230314986 388636059 /nfs/dbraw/zinc/63/60/59/388636059.db2.gz QNQOYNYTSJYVLM-CABCVRRESA-N 1 0 242.322 2.215 20 30 BEEDRO C#CC[N@H+](CC[C@H]1CCCO1)C1CCCC1 ZINC000189543575 388637093 /nfs/dbraw/zinc/63/70/93/388637093.db2.gz YYMXCLKLDRHUMF-CQSZACIVSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304378992 388640431 /nfs/dbraw/zinc/64/04/31/388640431.db2.gz XWZIXDYBDRJCTP-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000063191727 388659825 /nfs/dbraw/zinc/65/98/25/388659825.db2.gz XVRSTOJMUBGRSL-IUODEOHRSA-N 1 0 243.354 2.260 20 30 BEEDRO CC(C)(C[NH+]1CCCC1)Nc1cccc(C#N)n1 ZINC000308670733 388660982 /nfs/dbraw/zinc/66/09/82/388660982.db2.gz ZZTRXACLXRYFKI-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO N#Cc1csc(C[NH2+]CCC2(O)CCC2)c1 ZINC000309585946 388663676 /nfs/dbraw/zinc/66/36/76/388663676.db2.gz SGMGGGPXDSBITB-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)o1 ZINC000414597350 388664597 /nfs/dbraw/zinc/66/45/97/388664597.db2.gz WLDBZXUGVPRBRI-VXGBXAGGSA-N 1 0 228.251 2.390 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H](C)O1 ZINC000414515252 388664608 /nfs/dbraw/zinc/66/46/08/388664608.db2.gz NAGHGYNQTGEDKX-MXWKQRLJSA-N 1 0 234.299 2.054 20 30 BEEDRO CC[NH2+]CCCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000519138269 388664833 /nfs/dbraw/zinc/66/48/33/388664833.db2.gz NJXOAHPSJWKQSF-LLVKDONJSA-N 1 0 249.333 2.348 20 30 BEEDRO CC[C@H]([NH2+]CC[C@H](C)O)c1ccc(C#N)cc1 ZINC000447536657 388736840 /nfs/dbraw/zinc/73/68/40/388736840.db2.gz OYTQHJQUSJRXIW-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H]([NH2+]CCN1CCC1)c1ccc(C#N)cc1 ZINC000447584078 388737055 /nfs/dbraw/zinc/73/70/55/388737055.db2.gz DPKJTTBLHMRKSG-HNNXBMFYSA-N 1 0 243.354 2.305 20 30 BEEDRO CCCC[N@H+](CCOC)Cc1ccc(C#N)o1 ZINC000093323017 388741331 /nfs/dbraw/zinc/74/13/31/388741331.db2.gz OXYGIOQODISMJD-UHFFFAOYSA-N 1 0 236.315 2.400 20 30 BEEDRO Cn1cc(C[N@H+](C)CC(C)(C)C)cc1C#N ZINC000276748604 388741582 /nfs/dbraw/zinc/74/15/82/388741582.db2.gz KKTKBIWUOQBCJQ-UHFFFAOYSA-N 1 0 219.332 2.375 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](CO)C(C)(C)C ZINC000193108410 388757885 /nfs/dbraw/zinc/75/78/85/388757885.db2.gz PYYAJQNIRMOBDR-CQSZACIVSA-N 1 0 246.354 2.363 20 30 BEEDRO CC[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179459 388687980 /nfs/dbraw/zinc/68/79/80/388687980.db2.gz DJSZOOSBYHPWSM-CABCVRRESA-N 1 0 243.354 2.351 20 30 BEEDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229796 388689391 /nfs/dbraw/zinc/68/93/91/388689391.db2.gz CBIHEXMQMNUJTK-MFKMUULPSA-N 1 0 247.317 2.100 20 30 BEEDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423229331 388690228 /nfs/dbraw/zinc/69/02/28/388690228.db2.gz AUYPNNJGOMAXIR-ZYHUDNBSSA-N 1 0 247.317 2.100 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc(C#N)c1 ZINC000423358307 388690953 /nfs/dbraw/zinc/69/09/53/388690953.db2.gz JICDPUIJRGUCNU-HUBLWGQQSA-N 1 0 243.354 2.207 20 30 BEEDRO CC[C@@H](NC[C@@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313906 388691554 /nfs/dbraw/zinc/69/15/54/388691554.db2.gz GIPMZPXURCWUOY-HUUCEWRRSA-N 1 0 243.354 2.336 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CCSCC1 ZINC000126243607 388692175 /nfs/dbraw/zinc/69/21/75/388692175.db2.gz GYFYOPPAGVMEQN-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@H](C)c1cccc(C#N)c1 ZINC000423380593 388692798 /nfs/dbraw/zinc/69/27/98/388692798.db2.gz NCAFDWHDSAFUCD-VXGBXAGGSA-N 1 0 231.343 2.207 20 30 BEEDRO C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423453509 388692820 /nfs/dbraw/zinc/69/28/20/388692820.db2.gz XTDZLZOBXXXNOI-BBBLOLIVSA-N 1 0 235.306 2.084 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423478513 388693052 /nfs/dbraw/zinc/69/30/52/388693052.db2.gz USFHZMRCRLOMHO-GXSJLCMTSA-N 1 0 235.306 2.085 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1ccc(C#N)cc1F ZINC000079742068 388698400 /nfs/dbraw/zinc/69/84/00/388698400.db2.gz ZKJSSHDKTLZMJI-LBPRGKRZSA-N 1 0 236.290 2.212 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000527803016 388701375 /nfs/dbraw/zinc/70/13/75/388701375.db2.gz CGXDGEQAGCPDQQ-COMAGPEQSA-N 1 0 234.299 2.053 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000527803018 388701379 /nfs/dbraw/zinc/70/13/79/388701379.db2.gz CGXDGEQAGCPDQQ-XHSYRHOGSA-N 1 0 234.299 2.053 20 30 BEEDRO CO[C@H](C[N@H+](C)Cc1ccc(C#N)cc1)C1CC1 ZINC000425386021 388705161 /nfs/dbraw/zinc/70/51/61/388705161.db2.gz QTYDFMQWCPKWPH-OAHLLOKOSA-N 1 0 244.338 2.415 20 30 BEEDRO COC(=O)CC[N@H+](C)[C@@H](C)c1cccc(C#N)c1 ZINC000425548184 388707212 /nfs/dbraw/zinc/70/72/12/388707212.db2.gz XWJMBYBLBWBBIS-NSHDSACASA-N 1 0 246.310 2.114 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000193545080 388707964 /nfs/dbraw/zinc/70/79/64/388707964.db2.gz JBLVPDFJJHYTSN-DOMZBBRYSA-N 1 0 231.405 2.432 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000193558023 388709355 /nfs/dbraw/zinc/70/93/55/388709355.db2.gz BUHSSKJDBRTPEO-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](OCCOC)C1 ZINC000193571812 388709686 /nfs/dbraw/zinc/70/96/86/388709686.db2.gz AUEMVWGJEMGLHX-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000193557989 388709803 /nfs/dbraw/zinc/70/98/03/388709803.db2.gz BUHSSKJDBRTPEO-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO CCC[C@@]1(CO)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000377838842 388725677 /nfs/dbraw/zinc/72/56/77/388725677.db2.gz CSJJOOHEONNAJX-CQSZACIVSA-N 1 0 248.326 2.136 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000091772826 388731133 /nfs/dbraw/zinc/73/11/33/388731133.db2.gz UTVDBSRAYVMTME-NSHDSACASA-N 1 0 236.340 2.231 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(OC)c1 ZINC000229514153 388792230 /nfs/dbraw/zinc/79/22/30/388792230.db2.gz ZJLVQBGKZYJAHT-LBPRGKRZSA-N 1 0 203.285 2.197 20 30 BEEDRO C[C@@H]1OCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000229701370 388798675 /nfs/dbraw/zinc/79/86/75/388798675.db2.gz MFYKTSPZQWBXQA-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000229969744 388808026 /nfs/dbraw/zinc/80/80/26/388808026.db2.gz KDXJSUSUUSMBAC-RYUDHWBXSA-N 1 0 207.317 2.090 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000229968450 388808047 /nfs/dbraw/zinc/80/80/47/388808047.db2.gz HESBTCHGLGWMTB-ZDUSSCGKSA-N 1 0 228.295 2.068 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000229969827 388808523 /nfs/dbraw/zinc/80/85/23/388808523.db2.gz AYUFBLQDAGCAQU-NSHDSACASA-N 1 0 247.729 2.489 20 30 BEEDRO C[C@@H]1OCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000156428558 388809337 /nfs/dbraw/zinc/80/93/37/388809337.db2.gz XDGPUIXMGVVRJM-RYUDHWBXSA-N 1 0 230.311 2.167 20 30 BEEDRO C[C@H]([NH2+]CCCCO)c1ccc(C#N)c(F)c1 ZINC000279418370 388765569 /nfs/dbraw/zinc/76/55/69/388765569.db2.gz FKWRVGFIRUCTPX-JTQLQIEISA-N 1 0 236.290 2.120 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000230071989 388813298 /nfs/dbraw/zinc/81/32/98/388813298.db2.gz WKSBWBSKTKRZBD-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC23CCC3)o1 ZINC000334908234 388825648 /nfs/dbraw/zinc/82/56/48/388825648.db2.gz MQLNQIYPHZPSEG-UHFFFAOYSA-N 1 0 202.257 2.280 20 30 BEEDRO C[C@@]1([NH2+]Cc2ccc(C#N)c(F)c2)CCCOC1 ZINC000334981729 388826303 /nfs/dbraw/zinc/82/63/03/388826303.db2.gz IEHVJGIOXSBXMG-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000129344945 388833530 /nfs/dbraw/zinc/83/35/30/388833530.db2.gz QTRRZGYYUOGORG-OLZOCXBDSA-N 1 0 242.432 2.226 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C(CC)CC ZINC000193246870 388834012 /nfs/dbraw/zinc/83/40/12/388834012.db2.gz PJNNHGGQURRACS-GFCCVEGCSA-N 1 0 238.375 2.354 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000556195455 388870562 /nfs/dbraw/zinc/87/05/62/388870562.db2.gz CCOQCXCCPKZEHH-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000129490209 388847586 /nfs/dbraw/zinc/84/75/86/388847586.db2.gz OLRGFOWPGGJTHF-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCOCC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000555376845 388848525 /nfs/dbraw/zinc/84/85/25/388848525.db2.gz BRMATMJHQHXQSX-PHIMTYICSA-N 1 0 215.362 2.015 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000037508470 388886152 /nfs/dbraw/zinc/88/61/52/388886152.db2.gz AKMPZUPEZBBLAJ-AAEUAGOBSA-N 1 0 230.311 2.245 20 30 BEEDRO C=CC[N@@H+](CCCc1cncn1C)C1CC1 ZINC000565784081 388970118 /nfs/dbraw/zinc/97/01/18/388970118.db2.gz SEUSEDFOGWMYGH-UHFFFAOYSA-N 1 0 219.332 2.003 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000565462385 388946116 /nfs/dbraw/zinc/94/61/16/388946116.db2.gz JHMHTHGQCRRHJU-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(C#N)nc1 ZINC001172493537 974842455 /nfs/dbraw/zinc/84/24/55/974842455.db2.gz UPFVMNKTMYQHQX-LLVKDONJSA-N 1 0 228.299 2.125 20 30 BEEDRO C=CCCCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000565991440 388982168 /nfs/dbraw/zinc/98/21/68/388982168.db2.gz MEEKZRMSYXIFNI-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C[NH2+][C@@H](C)CC(=O)N(C)C)c1ccccc1 ZINC000268785601 389004641 /nfs/dbraw/zinc/00/46/41/389004641.db2.gz AJPKWGLSNCLESA-ZDUSSCGKSA-N 1 0 246.354 2.156 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1 ZINC000272872837 389034742 /nfs/dbraw/zinc/03/47/42/389034742.db2.gz AYMPEDUIKKTHRY-JSGCOSHPSA-N 1 0 217.312 2.376 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000272922869 389036175 /nfs/dbraw/zinc/03/61/75/389036175.db2.gz JDOXDYZUVIJWKI-BZNIZROVSA-N 1 0 235.352 2.098 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2F ZINC000273426528 389041550 /nfs/dbraw/zinc/04/15/50/389041550.db2.gz KLJMYZVJUXLZOH-QMTHXVAHSA-N 1 0 235.302 2.340 20 30 BEEDRO C[NH+](C)C[C@@H]1CCCN1Cc1cccc(C#N)c1 ZINC000061644167 1172690080 /nfs/dbraw/zinc/69/00/80/1172690080.db2.gz WBATZLRWJMOQRT-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C#C[C@H](NC(=[NH2+])Nc1ccccc1)C(C)C ZINC000261530682 533277674 /nfs/dbraw/zinc/27/76/74/533277674.db2.gz OWQGSNJRWWFFBH-LBPRGKRZSA-N 1 0 215.300 2.071 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001645907169 1172696563 /nfs/dbraw/zinc/69/65/63/1172696563.db2.gz WIPOLSRLXQCMMV-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001645907172 1172696832 /nfs/dbraw/zinc/69/68/32/1172696832.db2.gz WIPOLSRLXQCMMV-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000289116341 533298456 /nfs/dbraw/zinc/29/84/56/533298456.db2.gz DEHQEMBYIWHMDA-VIFPVBQESA-N 1 0 233.702 2.099 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)CCCCO)cc1 ZINC000295134962 533342954 /nfs/dbraw/zinc/34/29/54/533342954.db2.gz YQCXAVISBFFOFV-CYBMUJFWSA-N 1 0 231.339 2.309 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404069581 533430033 /nfs/dbraw/zinc/43/00/33/533430033.db2.gz LBLBBUQPNAPQDJ-CHWSQXEVSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(C)CN(C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355716037 533489516 /nfs/dbraw/zinc/48/95/16/533489516.db2.gz RRGHXZGGOXVVPO-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)NC1CCC(C)CC1 ZINC000181298084 533495127 /nfs/dbraw/zinc/49/51/27/533495127.db2.gz OQHNAHIRXPVPSO-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)NCCC(C)(C)C ZINC000181305178 533495462 /nfs/dbraw/zinc/49/54/62/533495462.db2.gz LGWNJPCPPITWDO-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)NCc1ccc(C)cc1 ZINC000181300196 533495557 /nfs/dbraw/zinc/49/55/57/533495557.db2.gz VMHJCUKHVCGJQU-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@@H](C)C1 ZINC000261975335 533510489 /nfs/dbraw/zinc/51/04/89/533510489.db2.gz FPWMHOSFSYJERS-VXGBXAGGSA-N 1 0 223.364 2.293 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000264133343 533511071 /nfs/dbraw/zinc/51/10/71/533511071.db2.gz UTMINSLCEWTLDT-LBPRGKRZSA-N 1 0 231.343 2.271 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)OC ZINC000340538013 533541246 /nfs/dbraw/zinc/54/12/46/533541246.db2.gz SPHNLEZWVMYSFE-XQQFMLRXSA-N 1 0 241.375 2.371 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)COC(C)C ZINC000337241493 533541534 /nfs/dbraw/zinc/54/15/34/533541534.db2.gz FQIWEUOAKAZIBX-MCIONIFRSA-N 1 0 241.375 2.371 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC001172498254 974846805 /nfs/dbraw/zinc/84/68/05/974846805.db2.gz KJUVDSCNKYNQKL-QJPTWQEYSA-N 1 0 210.321 2.178 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000286324832 132214328 /nfs/dbraw/zinc/21/43/28/132214328.db2.gz LBXWJPRZSPKFJQ-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO N#Cc1c(F)cccc1N1CCC[C@@H](CC[NH3+])C1 ZINC000070171337 132229989 /nfs/dbraw/zinc/22/99/89/132229989.db2.gz GCFFLAGUIQHHHV-NSHDSACASA-N 1 0 247.317 2.263 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000070175197 132230236 /nfs/dbraw/zinc/23/02/36/132230236.db2.gz BTOSKCQUCFDXIK-WDEREUQCSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000070174954 132230505 /nfs/dbraw/zinc/23/05/05/132230505.db2.gz AAKMYCWIYGCKHK-DGCLKSJQSA-N 1 0 229.327 2.122 20 30 BEEDRO C[C@H]1CN(c2ccc(Cl)cc2C#N)CC[C@H]1[NH3+] ZINC000251568138 132232188 /nfs/dbraw/zinc/23/21/88/132232188.db2.gz BWXNGWWLJOAHQQ-JOYOIKCWSA-N 1 0 249.745 2.385 20 30 BEEDRO N#Cc1ccc(N2CCC([NH3+])CC2)cc1Cl ZINC000061846823 132239719 /nfs/dbraw/zinc/23/97/19/132239719.db2.gz UVTFPORJZOJEIL-UHFFFAOYSA-N 1 0 235.718 2.139 20 30 BEEDRO C[C@@H]1[C@H](C)N(c2cccc(F)c2C#N)CC[N@H+]1C ZINC000356771041 132271756 /nfs/dbraw/zinc/27/17/56/132271756.db2.gz CGIVFKJGWIPSOG-MNOVXSKESA-N 1 0 247.317 2.226 20 30 BEEDRO N#Cc1ccccc1N1CC[NH+](CC2CC2)CC1 ZINC000042338519 132297698 /nfs/dbraw/zinc/29/76/98/132297698.db2.gz KAQXDEZLKSRPNZ-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO Cc1cccc(N2CC[NH+](CCCC#N)CC2)c1 ZINC000019506626 132325702 /nfs/dbraw/zinc/32/57/02/132325702.db2.gz WORKCYQLFBYQAR-UHFFFAOYSA-N 1 0 243.354 2.421 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000112465897 132438281 /nfs/dbraw/zinc/43/82/81/132438281.db2.gz IKKSOIQEJXLPSQ-AWEZNQCLSA-N 1 0 229.327 2.089 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCOC(F)(F)F ZINC000308659133 133442331 /nfs/dbraw/zinc/44/23/31/133442331.db2.gz PIEHYMUHBYWAKY-QMMMGPOBSA-N 1 0 211.227 2.467 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CC(C)C1 ZINC000309121511 133458173 /nfs/dbraw/zinc/45/81/73/133458173.db2.gz OASUZQJZLHLTBI-KPFVRQRISA-N 1 0 209.333 2.356 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCN(C2CC2)C1 ZINC000336704406 133537166 /nfs/dbraw/zinc/53/71/66/133537166.db2.gz HLXNZKUKMJDNAX-CQSZACIVSA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1c2ccccc2oc1CNC1=[NH+]C[C@H](C)N1 ZINC000284902261 133563081 /nfs/dbraw/zinc/56/30/81/133563081.db2.gz ALKYBZBXTKCZRR-VIFPVBQESA-N 1 0 243.310 2.179 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000353957573 133913834 /nfs/dbraw/zinc/91/38/34/133913834.db2.gz QMUOQPDVOSJDGN-AAVRWANBSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@H](CCC#N)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000351643630 133978129 /nfs/dbraw/zinc/97/81/29/133978129.db2.gz IPZRRSFIFUMQOL-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2Cc3cccc(O)c3C2)C1 ZINC000331529635 134000522 /nfs/dbraw/zinc/00/05/22/134000522.db2.gz QTPCBTKUXRQXFW-RAIGVLPGSA-N 1 0 242.322 2.141 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCOC3(CCCC3)C2)C1 ZINC000335929122 134009992 /nfs/dbraw/zinc/00/99/92/134009992.db2.gz IWAKGQYNAUHJAS-QWHCGFSZSA-N 1 0 234.343 2.324 20 30 BEEDRO C[N@@H+]1CCCC12CCN([C@H]1CC[C@H](C#N)C1)CC2 ZINC000335967934 134028785 /nfs/dbraw/zinc/02/87/85/134028785.db2.gz OPYUJLGSPUJDES-KBPBESRZSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@@H](CO)[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000336077144 134073865 /nfs/dbraw/zinc/07/38/65/134073865.db2.gz SWYCSMFQZCMABT-XHDPSFHLSA-N 1 0 244.338 2.296 20 30 BEEDRO N#CC1CC[NH+](C/C=C/c2ccncc2)CC1 ZINC000336108076 134085540 /nfs/dbraw/zinc/08/55/40/134085540.db2.gz RIOTYAOSLREDNB-OWOJBTEDSA-N 1 0 227.311 2.330 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000333135619 134090503 /nfs/dbraw/zinc/09/05/03/134090503.db2.gz XOXCZJLDTWDKAR-STQMWFEESA-N 1 0 248.370 2.211 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CCO1 ZINC000336173477 134115930 /nfs/dbraw/zinc/11/59/30/134115930.db2.gz OPDMMSBXUCGGOV-GFJIZPEISA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1(C#N)CCC1 ZINC000336198741 134127859 /nfs/dbraw/zinc/12/78/59/134127859.db2.gz MMVLAHACZVJOGH-UONOGXRCSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC1(C#N)CCC1 ZINC000336198740 134128026 /nfs/dbraw/zinc/12/80/26/134128026.db2.gz MMVLAHACZVJOGH-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000336251925 134141097 /nfs/dbraw/zinc/14/10/97/134141097.db2.gz OMJMBXCTFIQRGK-ZYHUDNBSSA-N 1 0 233.290 2.393 20 30 BEEDRO CO[C@H]1CC[N@H+](CC2(C#N)CC2)CC1(C)C ZINC000336294355 134142582 /nfs/dbraw/zinc/14/25/82/134142582.db2.gz ZJDMUUOQWAOIFT-NSHDSACASA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)CC[N@H+](CC1CCC1)[C@H](C)CO ZINC000352404335 134143926 /nfs/dbraw/zinc/14/39/26/134143926.db2.gz AOHDZWICMZGNEJ-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000352415663 134143986 /nfs/dbraw/zinc/14/39/86/134143986.db2.gz YUBRHJGYBBLEOT-CQSZACIVSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CCCC)C1=O ZINC000352410596 134144082 /nfs/dbraw/zinc/14/40/82/134144082.db2.gz RPFDMEMQRROZNC-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000352404350 134144148 /nfs/dbraw/zinc/14/41/48/134144148.db2.gz AQCHBFWCFFPHSS-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H]1C[C@H](O)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000336359484 134144528 /nfs/dbraw/zinc/14/45/28/134144528.db2.gz GOBPXHUUDCAGPH-RISCZKNCSA-N 1 0 249.741 2.147 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000336360969 134144831 /nfs/dbraw/zinc/14/48/31/134144831.db2.gz ONAZQPCHWCAMIM-CYBMUJFWSA-N 1 0 234.343 2.039 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000352472745 134146250 /nfs/dbraw/zinc/14/62/50/134146250.db2.gz JMUCCJBMCLRHKM-DZGCQCFKSA-N 1 0 233.355 2.392 20 30 BEEDRO C[N@H+](C[C@H](C#N)CCC#N)CC(C)(C)C ZINC000352788213 134152285 /nfs/dbraw/zinc/15/22/85/134152285.db2.gz JMGOYBMLVMPLCS-NSHDSACASA-N 1 0 207.321 2.408 20 30 BEEDRO CN(CC#N)C1CCN(c2ccccc2)CC1 ZINC000336628911 134152368 /nfs/dbraw/zinc/15/23/68/134152368.db2.gz GMQIKYCDVLWFOA-UHFFFAOYSA-N 1 0 229.327 2.111 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352889334 134157362 /nfs/dbraw/zinc/15/73/62/134157362.db2.gz YBEJHJJFSROCDR-ZOWXZIJZSA-N 1 0 229.389 2.184 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000353173219 134162532 /nfs/dbraw/zinc/16/25/32/134162532.db2.gz MUUYDWIYKPRDAK-UHFFFAOYSA-N 1 0 225.361 2.217 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1cccc(OC)c1 ZINC000353568222 134164206 /nfs/dbraw/zinc/16/42/06/134164206.db2.gz PHHXSRMFHBBRNV-TZMCWYRMSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000353572733 134164421 /nfs/dbraw/zinc/16/44/21/134164421.db2.gz YVUVSHQQKJLHER-DGCLKSJQSA-N 1 0 249.358 2.196 20 30 BEEDRO CCOC(=O)[C@H](C)[N@H+](C)CCCC(C)(C)C#N ZINC000353654199 134164851 /nfs/dbraw/zinc/16/48/51/134164851.db2.gz JCKAOLAXKWHQMD-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO C[N@H+](C[C@H]1CCSC1)CC(C)(C)C#N ZINC000354019201 134166079 /nfs/dbraw/zinc/16/60/79/134166079.db2.gz VHCDNXRHSFCVPD-SNVBAGLBSA-N 1 0 212.362 2.221 20 30 BEEDRO C[C@H]1C[C@@H](C[N@H+](C)CC(C)(C)C#N)CCO1 ZINC000354019434 134166316 /nfs/dbraw/zinc/16/63/16/134166316.db2.gz YJEYNJXLUPRNGV-RYUDHWBXSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCCCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000354116201 134166990 /nfs/dbraw/zinc/16/69/90/134166990.db2.gz WRZVMFGATPDPIG-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000354263099 134167553 /nfs/dbraw/zinc/16/75/53/134167553.db2.gz DUOUXZVSUBMIMF-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000354408892 134168293 /nfs/dbraw/zinc/16/82/93/134168293.db2.gz CIZXPWQADUMORK-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)CC1(O)CCC1 ZINC000355360328 134173066 /nfs/dbraw/zinc/17/30/66/134173066.db2.gz DQGOYHXAGASSNV-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000355685377 134174476 /nfs/dbraw/zinc/17/44/76/134174476.db2.gz SPTOYKPMQJLHJV-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CC1(C#N)CC1 ZINC000355748139 134175263 /nfs/dbraw/zinc/17/52/63/134175263.db2.gz QDDRWDSJHHTINN-AWEZNQCLSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@H+](C)C[C@H](C)C#N)CCO1 ZINC000356974911 134181176 /nfs/dbraw/zinc/18/11/76/134181176.db2.gz BXNXLMFTIDUWFX-FRRDWIJNSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CC[N@@H+](CCOCC(F)(F)F)C1CC1 ZINC000357550633 134183940 /nfs/dbraw/zinc/18/39/40/134183940.db2.gz GWOMYZNXCDXMEU-UHFFFAOYSA-N 1 0 223.238 2.216 20 30 BEEDRO CC#CCN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000357698775 134184960 /nfs/dbraw/zinc/18/49/60/134184960.db2.gz KNUBWBCPQKKWFB-OAHLLOKOSA-N 1 0 242.366 2.216 20 30 BEEDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CCCCC#N ZINC000358743312 134192373 /nfs/dbraw/zinc/19/23/73/134192373.db2.gz CHBZBXVAMZGUEA-GFCCVEGCSA-N 1 0 232.331 2.081 20 30 BEEDRO CC[N@@H+](CCC#N)CCCO[C@@H]1CCCCO1 ZINC000358832170 134192803 /nfs/dbraw/zinc/19/28/03/134192803.db2.gz PXLOKVMSGWIZLV-CYBMUJFWSA-N 1 0 240.347 2.155 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@]1(OC)CCOC1)C1CC1 ZINC000359396693 134194901 /nfs/dbraw/zinc/19/49/01/134194901.db2.gz NNKDCIQMWMOGFK-KBPBESRZSA-N 1 0 239.359 2.126 20 30 BEEDRO CCC[C@]1(CO)CC[N@H+](CCCCC#N)C1 ZINC000367357126 134196999 /nfs/dbraw/zinc/19/69/99/134196999.db2.gz UKRLJFBFEQKNQJ-ZDUSSCGKSA-N 1 0 224.348 2.165 20 30 BEEDRO CC#CCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000360956969 134202687 /nfs/dbraw/zinc/20/26/87/134202687.db2.gz JNIQYLHZKDYCMG-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000360968884 134202956 /nfs/dbraw/zinc/20/29/56/134202956.db2.gz NRWDHMHBVKENKD-ZDUSSCGKSA-N 1 0 233.359 2.398 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000360968479 134202993 /nfs/dbraw/zinc/20/29/93/134202993.db2.gz KLKPYGSLLPQUGX-UHFFFAOYSA-N 1 0 227.311 2.076 20 30 BEEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)C#N ZINC000361195221 134203831 /nfs/dbraw/zinc/20/38/31/134203831.db2.gz HDLOEQMPDOWDRB-NSHDSACASA-N 1 0 245.326 2.155 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)CCC(C)C ZINC000361264767 134204078 /nfs/dbraw/zinc/20/40/78/134204078.db2.gz GMHHSWRNGHFKIV-OLZOCXBDSA-N 1 0 226.364 2.265 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CC)CC(C)(C)C)C1=O ZINC000361526933 134206128 /nfs/dbraw/zinc/20/61/28/134206128.db2.gz DHHSFFWOEKFPIR-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](CCCC1CCOCC1)CCOC ZINC000361644780 134207015 /nfs/dbraw/zinc/20/70/15/134207015.db2.gz BEYJTOKPHNSABG-UHFFFAOYSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(F)F)CC1 ZINC000361689447 134207401 /nfs/dbraw/zinc/20/74/01/134207401.db2.gz LQPGQUJTHOWFMD-LLVKDONJSA-N 1 0 233.302 2.291 20 30 BEEDRO Cn1nccc1[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000363198492 134215221 /nfs/dbraw/zinc/21/52/21/134215221.db2.gz FXZHRXBGBVWHLT-CYBMUJFWSA-N 1 0 246.358 2.293 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000367982443 134216777 /nfs/dbraw/zinc/21/67/77/134216777.db2.gz JMCSFRXHJFPHQY-GFCCVEGCSA-N 1 0 226.364 2.154 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)cc1 ZINC000368039030 134216994 /nfs/dbraw/zinc/21/69/94/134216994.db2.gz DXFOGIDXDCSPEL-HNNXBMFYSA-N 1 0 241.334 2.136 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)cc1 ZINC000368039032 134217037 /nfs/dbraw/zinc/21/70/37/134217037.db2.gz DXFOGIDXDCSPEL-OAHLLOKOSA-N 1 0 241.334 2.136 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368098743 134217298 /nfs/dbraw/zinc/21/72/98/134217298.db2.gz LBYNZONTTLABMN-FRRDWIJNSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000368098744 134217447 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ZINC000309595542 134598836 /nfs/dbraw/zinc/59/88/36/134598836.db2.gz ULFQXPMWZKBFPW-GFCCVEGCSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cccnc1 ZINC000309912534 134599685 /nfs/dbraw/zinc/59/96/85/134599685.db2.gz NMOKKDCFLVYGMI-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO Cc1csc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000335599738 134603531 /nfs/dbraw/zinc/60/35/31/134603531.db2.gz CUOPRGUSXXMTHZ-UWVGGRQHSA-N 1 0 221.329 2.233 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000130518452 134619960 /nfs/dbraw/zinc/61/99/60/134619960.db2.gz ASLZGCJWOILPAI-CYBMUJFWSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@@H](CCCC#N)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172498434 974849132 /nfs/dbraw/zinc/84/91/32/974849132.db2.gz MTMIPOZOJGEECC-MJBXVCDLSA-N 1 0 235.375 2.237 20 30 BEEDRO Cn1cc(C[NH2+]C[C@@H]2CC2(C)C)cc1C#N ZINC000236082019 134819118 /nfs/dbraw/zinc/81/91/18/134819118.db2.gz OKWZOUJABQPNRK-NSHDSACASA-N 1 0 217.316 2.032 20 30 BEEDRO C[C@H]1OCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335607974 134878169 /nfs/dbraw/zinc/87/81/69/134878169.db2.gz VVDKDFMPBDAECO-XVSSEFHLSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)(C)n1cc(C[NH2+]CCCCC#N)cn1 ZINC000171416784 134882513 /nfs/dbraw/zinc/88/25/13/134882513.db2.gz UTGQJKAKIZTGRI-UHFFFAOYSA-N 1 0 234.347 2.422 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000336694263 134904962 /nfs/dbraw/zinc/90/49/62/134904962.db2.gz XYGNLKCQQWQMBB-UTUOFQBUSA-N 1 0 243.416 2.433 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2nccs2)C1 ZINC000192787030 134955950 /nfs/dbraw/zinc/95/59/50/134955950.db2.gz IQJSKWDZFDJFLD-MNOVXSKESA-N 1 0 235.356 2.358 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CCCC)C2CC2)C1=O ZINC000337139299 135001396 /nfs/dbraw/zinc/00/13/96/135001396.db2.gz RYCVZTVCWDHJEC-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc(OC)nc1C ZINC000337143812 135001567 /nfs/dbraw/zinc/00/15/67/135001567.db2.gz YXYQONSZESHKRV-UHFFFAOYSA-N 1 0 235.331 2.192 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000248388834 135001990 /nfs/dbraw/zinc/00/19/90/135001990.db2.gz FRNQOAVERWHGFC-KGLIPLIRSA-N 1 0 231.343 2.179 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)C(C)C)C1=O ZINC000337147112 135002861 /nfs/dbraw/zinc/00/28/61/135002861.db2.gz YVOQVDXCHPVZDO-CHWSQXEVSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@@H](C)C(C)C)C1=O ZINC000337147114 135003209 /nfs/dbraw/zinc/00/32/09/135003209.db2.gz YVOQVDXCHPVZDO-QWHCGFSZSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]3CCC[C@@H]32)C1=O ZINC000337190789 135004315 /nfs/dbraw/zinc/00/43/15/135004315.db2.gz SBDXIJZKPYAXIT-IHRRRGAJSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000337209541 135007119 /nfs/dbraw/zinc/00/71/19/135007119.db2.gz SFBZJEYDVUZFPT-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCC[C@H]1OC(F)F ZINC000337374124 135013982 /nfs/dbraw/zinc/01/39/82/135013982.db2.gz AIYVVOPCPXPZED-VHSXEESVSA-N 1 0 232.274 2.430 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCCC[C@@H]1OC(F)F ZINC000337415738 135015087 /nfs/dbraw/zinc/01/50/87/135015087.db2.gz PDJVKFUTUVMKMC-ZJUUUORDSA-N 1 0 217.259 2.150 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000337420855 135015912 /nfs/dbraw/zinc/01/59/12/135015912.db2.gz PTVMFSHFPUIRBP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000337459599 135016910 /nfs/dbraw/zinc/01/69/10/135016910.db2.gz JZQVNKKTVKZUDT-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H](C)C1 ZINC000248572817 135020561 /nfs/dbraw/zinc/02/05/61/135020561.db2.gz RRWCKGPTPNRNJR-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO CCN(CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000248730838 135020483 /nfs/dbraw/zinc/02/04/83/135020483.db2.gz DFGONDXVTIUMMT-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@H](C)N(C)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248760164 135021526 /nfs/dbraw/zinc/02/15/26/135021526.db2.gz GMCGZXAMTSWNKG-MJBXVCDLSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000248839080 135022613 /nfs/dbraw/zinc/02/26/13/135022613.db2.gz NMKXFQJXXWCGPX-UPJWGTAASA-N 1 0 241.375 2.105 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CC(=O)N2CCCC[C@H]12 ZINC000338006120 135028421 /nfs/dbraw/zinc/02/84/21/135028421.db2.gz DUDCQZSCMQKHGC-RWMBFGLXSA-N 1 0 236.359 2.084 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000338235140 135030979 /nfs/dbraw/zinc/03/09/79/135030979.db2.gz IECKGAMFPJPQLH-STQMWFEESA-N 1 0 240.347 2.011 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249112183 135033156 /nfs/dbraw/zinc/03/31/56/135033156.db2.gz BYYLMYJQSYXPFP-GXTWGEPZSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000338548903 135039037 /nfs/dbraw/zinc/03/90/37/135039037.db2.gz ZUHNHLNYXCWZID-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000338548092 135039424 /nfs/dbraw/zinc/03/94/24/135039424.db2.gz WQMOQGHMNZFYFL-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249514898 135040585 /nfs/dbraw/zinc/04/05/85/135040585.db2.gz BHEVTKRRMSOLBK-FRRDWIJNSA-N 1 0 219.332 2.408 20 30 BEEDRO C[C@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000249525741 135040708 /nfs/dbraw/zinc/04/07/08/135040708.db2.gz SWMXGUBTCSUHKT-NWDGAFQWSA-N 1 0 205.305 2.162 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000338886370 135047552 /nfs/dbraw/zinc/04/75/52/135047552.db2.gz GEWOZUYUZAMRMW-JTQLQIEISA-N 1 0 237.265 2.463 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000338911673 135047833 /nfs/dbraw/zinc/04/78/33/135047833.db2.gz HYNLWVCMXOMPTD-ILXRZTDVSA-N 1 0 247.386 2.239 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000338959130 135048808 /nfs/dbraw/zinc/04/88/08/135048808.db2.gz BCDKVFIBBWQRRR-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[N@H+](CCOCCC#N)[C@@H](C)C(C)C ZINC000338932323 135049092 /nfs/dbraw/zinc/04/90/92/135049092.db2.gz BJJPITXYFXNPTR-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H](OCCC)CC1 ZINC000338984220 135049887 /nfs/dbraw/zinc/04/98/87/135049887.db2.gz VFKDSTNZHZYFNG-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000338996247 135050128 /nfs/dbraw/zinc/05/01/28/135050128.db2.gz OIFFTVOIGRTLPA-UMSGYPCISA-N 1 0 222.332 2.178 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000338996250 135050532 /nfs/dbraw/zinc/05/05/32/135050532.db2.gz OIFFTVOIGRTLPA-YVECIDJPSA-N 1 0 222.332 2.178 20 30 BEEDRO CCOC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000338995834 135050550 /nfs/dbraw/zinc/05/05/50/135050550.db2.gz IJMWBZBXBZXAGY-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000339004671 135051218 /nfs/dbraw/zinc/05/12/18/135051218.db2.gz WTGSCUVRHBMEMR-QWHCGFSZSA-N 1 0 241.375 2.324 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2CCO[C@@H](c3ccco3)C2)C1 ZINC000339018494 135052963 /nfs/dbraw/zinc/05/29/63/135052963.db2.gz ZBKWGPJNDKYWMG-YRGRVCCFSA-N 1 0 246.310 2.345 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H](C)CCSC ZINC000339037228 135053250 /nfs/dbraw/zinc/05/32/50/135053250.db2.gz GTVBWQXCHURUKG-LLVKDONJSA-N 1 0 217.378 2.262 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000369426474 135054035 /nfs/dbraw/zinc/05/40/35/135054035.db2.gz MNTWGCFLFBRAPJ-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3CCOCC3)C2)C1 ZINC000339052271 135054645 /nfs/dbraw/zinc/05/46/45/135054645.db2.gz HCPXYJGWWQQRLO-SNPRPXQTSA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3CC3)C2)C1 ZINC000339060444 135055298 /nfs/dbraw/zinc/05/52/98/135055298.db2.gz XCEUCMNYPIWMFP-RAIGVLPGSA-N 1 0 204.317 2.411 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)[C@@H]1COc2ccccc21 ZINC000339087673 135057530 /nfs/dbraw/zinc/05/75/30/135057530.db2.gz MBVMNNZDTOLJEK-JSGCOSHPSA-N 1 0 247.338 2.343 20 30 BEEDRO C=CCOCC[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000339124522 135060032 /nfs/dbraw/zinc/06/00/32/135060032.db2.gz MLEXPZCUADPECX-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO CC(C)(C)[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339137199 135060872 /nfs/dbraw/zinc/06/08/72/135060872.db2.gz AEKAGHNXTIQSLW-UPJWGTAASA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339138188 135061436 /nfs/dbraw/zinc/06/14/36/135061436.db2.gz UWMBJGXTYRDNJQ-QJPTWQEYSA-N 1 0 224.373 2.364 20 30 BEEDRO CCC(CC)[N@H+](CC)CCOCCC#N ZINC000339203462 135064747 /nfs/dbraw/zinc/06/47/47/135064747.db2.gz IREWSYLKTBQQOC-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H]1CC[C@H](C#N)C1 ZINC000339192683 135065094 /nfs/dbraw/zinc/06/50/94/135065094.db2.gz JCYGUASHUGESHH-QPSCCSFWSA-N 1 0 247.386 2.237 20 30 BEEDRO C[C@@H](O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000339228702 135067413 /nfs/dbraw/zinc/06/74/13/135067413.db2.gz AHTDYVWRDAJKSV-OCCSQVGLSA-N 1 0 232.327 2.392 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000339576715 135075444 /nfs/dbraw/zinc/07/54/44/135075444.db2.gz LXPUNWQDFWYXHL-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000339750818 135080525 /nfs/dbraw/zinc/08/05/25/135080525.db2.gz GPSTYFJBPMKTDG-UHFFFAOYSA-N 1 0 240.306 2.396 20 30 BEEDRO N#CCCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339770339 135081929 /nfs/dbraw/zinc/08/19/29/135081929.db2.gz BQWBYDMBVIPXAV-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCOCCC[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339824634 135083628 /nfs/dbraw/zinc/08/36/28/135083628.db2.gz XRTZGICYYCFPOV-CQSZACIVSA-N 1 0 241.375 2.326 20 30 BEEDRO C[C@H](CC[NH+](C)C)NCc1cc(C#N)cs1 ZINC000086500248 135087295 /nfs/dbraw/zinc/08/72/95/135087295.db2.gz LTKCOCDKOQANNE-SNVBAGLBSA-N 1 0 237.372 2.050 20 30 BEEDRO CCC(O)(CC)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500249 135087398 /nfs/dbraw/zinc/08/73/98/135087398.db2.gz QMHJESYLIDFNAE-UHFFFAOYSA-N 1 0 238.356 2.260 20 30 BEEDRO Cc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]2C)cc1C ZINC000261973839 135113360 /nfs/dbraw/zinc/11/33/60/135113360.db2.gz FDTJHYRFQBRQED-CMPLNLGQSA-N 1 0 217.316 2.438 20 30 BEEDRO C=CCNC(NC[C@@]1(C)CCCS1)=[NH+]CC ZINC000261933692 135113400 /nfs/dbraw/zinc/11/34/00/135113400.db2.gz BXDPDNGRCNKBDV-GFCCVEGCSA-N 1 0 241.404 2.013 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCCc2ccccc21 ZINC000261992955 135113422 /nfs/dbraw/zinc/11/34/22/135113422.db2.gz RUGQGIWITAGJRE-CYBMUJFWSA-N 1 0 243.354 2.197 20 30 BEEDRO Cc1c2ccccc2oc1CNC(=[NH2+])NC1CC1 ZINC000262180284 135117084 /nfs/dbraw/zinc/11/70/84/135117084.db2.gz DPRNCYJLWUZJON-UHFFFAOYSA-N 1 0 243.310 2.308 20 30 BEEDRO C[C@H]1Oc2ccccc2[C@@H]1NC(=[NH2+])NC(C)(C)C ZINC000262325198 135118275 /nfs/dbraw/zinc/11/82/75/135118275.db2.gz WVLFIUSFUKBKJE-BXKDBHETSA-N 1 0 247.342 2.211 20 30 BEEDRO C[NH+]=C(NCc1cccs1)N[C@H]1CC1(C)C ZINC000262580837 135119544 /nfs/dbraw/zinc/11/95/44/135119544.db2.gz QMLKTBQOEQFBHV-JTQLQIEISA-N 1 0 237.372 2.212 20 30 BEEDRO C[C@@H]1C[NH+]=C(N[C@H]2C[C@H](c3ccc(F)cc3)C2)N1 ZINC000262634496 135119786 /nfs/dbraw/zinc/11/97/86/135119786.db2.gz GVOBGSTYUFAFSW-IRUJWGPZSA-N 1 0 247.317 2.009 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253085892 135120062 /nfs/dbraw/zinc/12/00/62/135120062.db2.gz AADAFCHAVBOPFL-MCIONIFRSA-N 1 0 236.359 2.306 20 30 BEEDRO Cc1ccccc1C(C)(C)CNC1=[NH+]CCN1C ZINC000262642873 135120581 /nfs/dbraw/zinc/12/05/81/135120581.db2.gz IEVAGZPQSPPCPP-UHFFFAOYSA-N 1 0 245.370 2.164 20 30 BEEDRO Cc1cc(C)c(CCNC2=[NH+]C[C@H](C)N2)c(C)c1 ZINC000262666223 135120756 /nfs/dbraw/zinc/12/07/56/135120756.db2.gz OWCXZQIFRDMDSG-ZDUSSCGKSA-N 1 0 245.370 2.092 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253092905 135120985 /nfs/dbraw/zinc/12/09/85/135120985.db2.gz LOSNHNFXDYRCNW-JHJVBQTASA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@@H]1C[NH+]=C(N[C@H]2C[C@H](c3ccccc3F)C2)N1 ZINC000262673099 135121143 /nfs/dbraw/zinc/12/11/43/135121143.db2.gz SBEVKPPALDSIEX-GMTAPVOTSA-N 1 0 247.317 2.009 20 30 BEEDRO C[NH+]=C(NC1CCC1)N(C)Cc1cccc(F)c1 ZINC000262800301 135122503 /nfs/dbraw/zinc/12/25/03/135122503.db2.gz QVAWKBYAQBQODN-UHFFFAOYSA-N 1 0 249.333 2.385 20 30 BEEDRO CN(C)C(=[NH2+])N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262849312 135122671 /nfs/dbraw/zinc/12/26/71/135122671.db2.gz WMQZSFVGWOJLFP-WDEREUQCSA-N 1 0 237.734 2.072 20 30 BEEDRO CN(C(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1)C1CC1 ZINC000262831474 135122881 /nfs/dbraw/zinc/12/28/81/135122881.db2.gz RMMHVLAVXYJLPP-JOCQHMNTSA-N 1 0 243.354 2.342 20 30 BEEDRO C=CCNC(=[NH+]CC)N1CCc2ccccc21 ZINC000263230956 135126160 /nfs/dbraw/zinc/12/61/60/135126160.db2.gz IBXZRHJDZGMANY-UHFFFAOYSA-N 1 0 229.327 2.201 20 30 BEEDRO C[NH+]=C(N[C@H]1C[C@@H]1C)N1CCc2ccccc2C1 ZINC000263269464 135126272 /nfs/dbraw/zinc/12/62/72/135126272.db2.gz WHYRCFNGQKRBFM-FZMZJTMJSA-N 1 0 243.354 2.029 20 30 BEEDRO CC[C@H](CCO)C[NH2+]Cc1cc(C#N)cs1 ZINC000087362982 135126580 /nfs/dbraw/zinc/12/65/80/135126580.db2.gz VPROANDUOSCVOW-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000264059008 135131052 /nfs/dbraw/zinc/13/10/52/135131052.db2.gz CBRYQMNDOAKALG-NSHDSACASA-N 1 0 231.343 2.247 20 30 BEEDRO CCCCCCNC(=[NH2+])NCCc1ccccn1 ZINC000264058872 135131116 /nfs/dbraw/zinc/13/11/16/135131116.db2.gz BWFKCXIPYZYJKX-UHFFFAOYSA-N 1 0 248.374 2.109 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000264069106 135131335 /nfs/dbraw/zinc/13/13/35/135131335.db2.gz FTRTUKIFCUYFMC-ZDUSSCGKSA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(F)c(C)c1 ZINC000264083298 135131592 /nfs/dbraw/zinc/13/15/92/135131592.db2.gz JBIPMRJABWHLIY-SNVBAGLBSA-N 1 0 237.322 2.337 20 30 BEEDRO CCNC(=[NH2+])NCCOc1ccc(C(C)C)cc1 ZINC000264075610 135131792 /nfs/dbraw/zinc/13/17/92/135131792.db2.gz FPSOUICIKKZNIH-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000264076574 135131819 /nfs/dbraw/zinc/13/18/19/135131819.db2.gz HOACNLJRJQMJJN-WCQYABFASA-N 1 0 249.358 2.077 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCC2CCC2)cc1 ZINC000264086274 135132409 /nfs/dbraw/zinc/13/24/09/135132409.db2.gz JKORBJYKGVPEAP-UHFFFAOYSA-N 1 0 233.315 2.222 20 30 BEEDRO CCNC(=[NH2+])NCCCO[C@@H](C)c1ccccc1 ZINC000264087077 135132490 /nfs/dbraw/zinc/13/24/90/135132490.db2.gz JVESNEJESYKESL-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NC2CCCC2)ccc1F ZINC000264088478 135132656 /nfs/dbraw/zinc/13/26/56/135132656.db2.gz KHTNBMGFEILKHN-UHFFFAOYSA-N 1 0 249.333 2.481 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCOc1ccccc1C ZINC000264125036 135134626 /nfs/dbraw/zinc/13/46/26/135134626.db2.gz WAPVARNGJDUAOL-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO CCCNC(=[NH2+])NCCc1ccccc1Cl ZINC000264133215 135134980 /nfs/dbraw/zinc/13/49/80/135134980.db2.gz URBTZUSQMQIHPB-UHFFFAOYSA-N 1 0 239.750 2.197 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(Cl)cc1 ZINC000264134770 135135231 /nfs/dbraw/zinc/13/52/31/135135231.db2.gz UYQQYNGCMUUQIK-UHFFFAOYSA-N 1 0 237.734 2.320 20 30 BEEDRO N#CCN(CCCCCn1cccn1)C1CC1 ZINC000264233756 135137341 /nfs/dbraw/zinc/13/73/41/135137341.db2.gz ZFDSNPVTCXODBU-UHFFFAOYSA-N 1 0 232.331 2.041 20 30 BEEDRO N#C[C@H]1CC[C@@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC000259795698 135144603 /nfs/dbraw/zinc/14/46/03/135144603.db2.gz UIKRZQOEBMWJAS-DZGCQCFKSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1nocc1C[NH+]1CCC(CC#N)CC1 ZINC000259876502 135145138 /nfs/dbraw/zinc/14/51/38/135145138.db2.gz CYWIBTPDYKNIRT-UHFFFAOYSA-N 1 0 219.288 2.109 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000260035779 135146764 /nfs/dbraw/zinc/14/67/64/135146764.db2.gz NJRFZEIWHXGEGD-GFCCVEGCSA-N 1 0 224.373 2.365 20 30 BEEDRO C[C@H]1[C@H](Cc2ccccc2)CCN1CC#N ZINC000266906176 135150637 /nfs/dbraw/zinc/15/06/37/135150637.db2.gz BKDGTXDKQGBHDT-JSGCOSHPSA-N 1 0 214.312 2.463 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCC2(C)COC2)c1 ZINC000267393996 135153911 /nfs/dbraw/zinc/15/39/11/135153911.db2.gz DSXRHFZOBHICQD-UHFFFAOYSA-N 1 0 247.342 2.012 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@H](C)Oc1ccccc1 ZINC000267433911 135154309 /nfs/dbraw/zinc/15/43/09/135154309.db2.gz NIJOKNQLOUYWAB-LBPRGKRZSA-N 1 0 249.358 2.014 20 30 BEEDRO CCCCNC(=[NH2+])NCCCc1ccc(O)cc1 ZINC000267475249 135154633 /nfs/dbraw/zinc/15/46/33/135154633.db2.gz ZAGJCNXISPCAFQ-UHFFFAOYSA-N 1 0 249.358 2.029 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCC(F)F)cc1C ZINC000267725967 135156117 /nfs/dbraw/zinc/15/61/17/135156117.db2.gz VHMDVGMQPWILNR-UHFFFAOYSA-N 1 0 227.258 2.295 20 30 BEEDRO N#CCCCC[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268501552 135160116 /nfs/dbraw/zinc/16/01/16/135160116.db2.gz SGMJFNJWPAVNAZ-OAHLLOKOSA-N 1 0 244.338 2.272 20 30 BEEDRO C[C@@H]([NH3+])[C@H](C)Nc1cc(Cl)ccc1C#N ZINC000261537362 135174160 /nfs/dbraw/zinc/17/41/60/135174160.db2.gz VJXWQNOBZFVHOX-SFYZADRCSA-N 1 0 223.707 2.359 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(OCC#N)cc1 ZINC000293045385 135179010 /nfs/dbraw/zinc/17/90/10/135179010.db2.gz RCFVZXZLBZAVEN-NWDGAFQWSA-N 1 0 230.311 2.429 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C2)c1 ZINC000293451802 135179700 /nfs/dbraw/zinc/17/97/00/135179700.db2.gz CPAJKBPSTYXLDO-MGPQQGTHSA-N 1 0 244.342 2.131 20 30 BEEDRO N#Cc1ncccc1NCC1([NH3+])CCCCC1 ZINC000261542112 135182774 /nfs/dbraw/zinc/18/27/74/135182774.db2.gz BUIDKJMEXIJFLX-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000353563639 135186850 /nfs/dbraw/zinc/18/68/50/135186850.db2.gz GAECYTNSQIUHOI-CMPLNLGQSA-N 1 0 235.327 2.430 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccc(C#N)cc1 ZINC000353572577 135190394 /nfs/dbraw/zinc/19/03/94/135190394.db2.gz YFVYZMBOTRAFPI-UONOGXRCSA-N 1 0 230.311 2.146 20 30 BEEDRO N#Cc1ccncc1NCC1([NH3+])CCCCC1 ZINC000261552216 135191536 /nfs/dbraw/zinc/19/15/36/135191536.db2.gz MQYYMXFFIZUYLK-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000298392038 135198650 /nfs/dbraw/zinc/19/86/50/135198650.db2.gz OGXRSUWKVKSKIB-UKRRQHHQSA-N 1 0 246.354 2.214 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000298732130 135200502 /nfs/dbraw/zinc/20/05/02/135200502.db2.gz VHVHRZXGQKEFEY-VXGBXAGGSA-N 1 0 232.331 2.281 20 30 BEEDRO C[C@]1(C[NH3+])CCN(c2cc(Cl)ccc2C#N)C1 ZINC000261563286 135205655 /nfs/dbraw/zinc/20/56/55/135205655.db2.gz WXMCCPFZNJQOIB-CYBMUJFWSA-N 1 0 249.745 2.387 20 30 BEEDRO C[C@@H]1CCN(c2cccc(F)c2C#N)C[C@@H]1C[NH3+] ZINC000163946212 135211388 /nfs/dbraw/zinc/21/13/88/135211388.db2.gz FZUIWLYSPACPKK-MNOVXSKESA-N 1 0 247.317 2.118 20 30 BEEDRO C=CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000121352866 135222917 /nfs/dbraw/zinc/22/29/17/135222917.db2.gz UBZULFAKWKSLKT-UHFFFAOYSA-N 1 0 220.272 2.255 20 30 BEEDRO C=CC[N@H+](C)CCCCCn1cc(C)cn1 ZINC000121362005 135223181 /nfs/dbraw/zinc/22/31/81/135223181.db2.gz DZANSVZNBSEBHN-UHFFFAOYSA-N 1 0 221.348 2.480 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000121463666 135223205 /nfs/dbraw/zinc/22/32/05/135223205.db2.gz DVSLTMFSIKRPLQ-UHFFFAOYSA-N 1 0 232.327 2.006 20 30 BEEDRO CCC1CCC(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000261585140 135226472 /nfs/dbraw/zinc/22/64/72/135226472.db2.gz QFWYMKMLFPYIGZ-VOMCLLRMSA-N 1 0 223.364 2.140 20 30 BEEDRO C=C(C)C[N@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000045003961 135227313 /nfs/dbraw/zinc/22/73/13/135227313.db2.gz VUWICGAEXBQHOK-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000122240663 135227360 /nfs/dbraw/zinc/22/73/60/135227360.db2.gz KSUVXUGIPWMHJN-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO CO[C@@H]1C[C@H](NC(=[NH2+])Nc2ccccc2)C1(C)C ZINC000261587407 135228189 /nfs/dbraw/zinc/22/81/89/135228189.db2.gz VAQRYIXOPMXWAV-NWDGAFQWSA-N 1 0 247.342 2.227 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000341183346 135234700 /nfs/dbraw/zinc/23/47/00/135234700.db2.gz JPTGBEFKVMDZBX-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000341361143 135236877 /nfs/dbraw/zinc/23/68/77/135236877.db2.gz HJECKHXRJLTDNA-MELADBBJSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C)ccc1OC ZINC000341310539 135236999 /nfs/dbraw/zinc/23/69/99/135236999.db2.gz YSSKZPKJNLFQOG-CYBMUJFWSA-N 1 0 249.354 2.278 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[NH+](CC)CC ZINC000341358393 135237116 /nfs/dbraw/zinc/23/71/16/135237116.db2.gz FGEQFYJFUIUDCN-AWEZNQCLSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCc2ccccc21 ZINC000341882501 135243903 /nfs/dbraw/zinc/24/39/03/135243903.db2.gz HFCUGOUAFWXZFS-DOMZBBRYSA-N 1 0 231.339 2.448 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000341870460 135243917 /nfs/dbraw/zinc/24/39/17/135243917.db2.gz BZANGLAJWOGTRI-MNOVXSKESA-N 1 0 238.306 2.056 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341999857 135245625 /nfs/dbraw/zinc/24/56/25/135245625.db2.gz YNPHPDSXIMWHDH-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000261709554 135247675 /nfs/dbraw/zinc/24/76/75/135247675.db2.gz DNEWUBKFAFRGDO-DRZSPHRISA-N 1 0 231.343 2.245 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000261709556 135247745 /nfs/dbraw/zinc/24/77/45/135247745.db2.gz DNEWUBKFAFRGDO-UHTWSYAYSA-N 1 0 231.343 2.245 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCC12CCC(CC1)C2 ZINC000261733898 135248228 /nfs/dbraw/zinc/24/82/28/135248228.db2.gz JTSFXGUYFPTUQN-XSRFYTQQSA-N 1 0 223.364 2.270 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342154760 135251475 /nfs/dbraw/zinc/25/14/75/135251475.db2.gz NFGVRXDFFOAPHQ-TZMCWYRMSA-N 1 0 237.343 2.228 20 30 BEEDRO CCn1nccc1C[NH2+]CC(C)(C)CCC#N ZINC000342295865 135257265 /nfs/dbraw/zinc/25/72/65/135257265.db2.gz JDEOMLAHORWUBF-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO C=CCN(Cc1cccs1)C(=O)C[C@@H](C)[NH3+] ZINC000261905500 135261896 /nfs/dbraw/zinc/26/18/96/135261896.db2.gz VRPKDTPNMJGLCL-SNVBAGLBSA-N 1 0 238.356 2.000 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCC[C@H]1C ZINC000261997287 135270652 /nfs/dbraw/zinc/27/06/52/135270652.db2.gz OFCKNIFLGZAFQJ-VXGBXAGGSA-N 1 0 223.364 2.293 20 30 BEEDRO Cc1ccc(CC[NH+]=C(N(C)C)N(C)C)c(C)c1 ZINC000262017083 135273402 /nfs/dbraw/zinc/27/34/02/135273402.db2.gz WNMPUPOWPYUTMR-UHFFFAOYSA-N 1 0 247.386 2.325 20 30 BEEDRO C[NH+]=C(NCc1coc2ccccc12)NC1CC1 ZINC000262152837 135282390 /nfs/dbraw/zinc/28/23/90/135282390.db2.gz BBIMUZJNRMROID-UHFFFAOYSA-N 1 0 243.310 2.260 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC1CCCCCC1)C(C)C ZINC000262222192 135286000 /nfs/dbraw/zinc/28/60/00/135286000.db2.gz VMODEOUHGLXVAW-CYBMUJFWSA-N 1 0 235.375 2.271 20 30 BEEDRO CN(C(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1)C1CC1 ZINC000262245064 135287189 /nfs/dbraw/zinc/28/71/89/135287189.db2.gz ONQSDDKYWGTMEK-JSGCOSHPSA-N 1 0 243.354 2.027 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)[C@@H](C)C[NH3+] ZINC000262322719 135293126 /nfs/dbraw/zinc/29/31/26/135293126.db2.gz CXVDXZCMHLDOOP-LBPRGKRZSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)[C@H](C)C[NH3+] ZINC000262322717 135293129 /nfs/dbraw/zinc/29/31/29/135293129.db2.gz CXVDXZCMHLDOOP-GFCCVEGCSA-N 1 0 238.375 2.176 20 30 BEEDRO C[NH+]=C(NC1CC1)N1CCC2(C1)CCCCC2 ZINC000262423975 135296274 /nfs/dbraw/zinc/29/62/74/135296274.db2.gz CAEXREFDNWTOCK-UHFFFAOYSA-N 1 0 235.375 2.380 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@H](Cc2ccccc2)C1 ZINC000262435477 135296693 /nfs/dbraw/zinc/29/66/93/135296693.db2.gz GDPYIBAZWGTEPE-PQDJCJPTSA-N 1 0 245.370 2.098 20 30 BEEDRO CN(C)C(=[NH+]Cc1cccc2cc[nH]c21)N(C)C ZINC000262437000 135299874 /nfs/dbraw/zinc/29/98/74/135299874.db2.gz UAAPIUULTUCQMS-UHFFFAOYSA-N 1 0 244.342 2.147 20 30 BEEDRO COC[C@H]1CCCC[N@H+](CC2(C#N)CC2)C1 ZINC000342598201 135300896 /nfs/dbraw/zinc/30/08/96/135300896.db2.gz YMUVLLSCGDAUCD-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO CN(C)C(=[NH+]CC1(C)CCCC1)N(C)C ZINC000262527587 135303703 /nfs/dbraw/zinc/30/37/03/135303703.db2.gz LWSJTHCUXCAIDI-UHFFFAOYSA-N 1 0 211.353 2.046 20 30 BEEDRO CN(C)C(=[NH+]Cc1coc2ccccc12)N(C)C ZINC000262541523 135304602 /nfs/dbraw/zinc/30/46/02/135304602.db2.gz SFNIFDABQBVXLL-UHFFFAOYSA-N 1 0 245.326 2.412 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCCS1)N1CCCCCC1 ZINC000262545810 135305498 /nfs/dbraw/zinc/30/54/98/135305498.db2.gz RYQKITRVCPBPGS-NSHDSACASA-N 1 0 241.404 2.073 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@@H](c2ccccc2)C2CC2)N1 ZINC000262638103 135310072 /nfs/dbraw/zinc/31/00/72/135310072.db2.gz ITQCSLANUIONDW-FZMZJTMJSA-N 1 0 243.354 2.118 20 30 BEEDRO CCC1(CNC2=[NH+]C[C@H](C)N2)CCCCC1 ZINC000262652001 135311383 /nfs/dbraw/zinc/31/13/83/135311383.db2.gz KPRZTPATZIPWOT-NSHDSACASA-N 1 0 223.364 2.284 20 30 BEEDRO Cc1ccoc1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262710655 135314865 /nfs/dbraw/zinc/31/48/65/135314865.db2.gz PGVJNLFIWPRQDS-SNVBAGLBSA-N 1 0 235.331 2.135 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(OCC)n1 ZINC000342732066 135316816 /nfs/dbraw/zinc/31/68/16/135316816.db2.gz DFGWBDMDSUGKEH-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])Nc1cccc(OC)c1 ZINC000262778270 135318283 /nfs/dbraw/zinc/31/82/83/135318283.db2.gz IOFZJCBBUCFDPL-BXKDBHETSA-N 1 0 233.315 2.220 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N(CCC)CCC ZINC000342767291 135326326 /nfs/dbraw/zinc/32/63/26/135326326.db2.gz ZXUZOSZWLQCHLW-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCCCC(F)(F)C1)N1CCC1 ZINC000263058353 135329493 /nfs/dbraw/zinc/32/94/93/135329493.db2.gz FGGWRKAOCMHRSL-SNVBAGLBSA-N 1 0 245.317 2.222 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@@H]1C[C@H]1C1CCC1 ZINC000263062307 135330017 /nfs/dbraw/zinc/33/00/17/135330017.db2.gz NBDDWYOIEVVXMI-QWHCGFSZSA-N 1 0 247.342 2.133 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@]1(F)c1ccccc1)C1CC1 ZINC000263078978 135331151 /nfs/dbraw/zinc/33/11/51/135331151.db2.gz RBPVCKFZEHVKDS-OCCSQVGLSA-N 1 0 247.317 2.033 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@]1(F)c1ccccc1)NC1CCC1 ZINC000263071782 135331152 /nfs/dbraw/zinc/33/11/52/135331152.db2.gz PQMCBHJRWNNPTP-OCCSQVGLSA-N 1 0 247.317 2.081 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC[C@@H]2CCc3ccccc32)N1 ZINC000263117354 135333868 /nfs/dbraw/zinc/33/38/68/135333868.db2.gz LPBLRODXTAFFCH-YPMHNXCESA-N 1 0 243.354 2.044 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@H]1CC ZINC000263122930 135334343 /nfs/dbraw/zinc/33/43/43/135334343.db2.gz MFGKCNFQALMLLT-VXGBXAGGSA-N 1 0 223.364 2.293 20 30 BEEDRO CCC[C@H]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000263137931 135335032 /nfs/dbraw/zinc/33/50/32/135335032.db2.gz NWTRCYYKZVPKKQ-QWHCGFSZSA-N 1 0 237.391 2.484 20 30 BEEDRO C[C@H]1C[C@H](C[NH+]2CCC(C)(C#N)CC2)CCO1 ZINC000334297693 135335093 /nfs/dbraw/zinc/33/50/93/135335093.db2.gz AZDUSUFUTBDRFL-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO CSCc1cccc(CNC(=[NH2+])N2CCC2)c1 ZINC000263142175 135335331 /nfs/dbraw/zinc/33/53/31/135335331.db2.gz OKXLFRITOODQJW-UHFFFAOYSA-N 1 0 249.383 2.070 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263172634 135337261 /nfs/dbraw/zinc/33/72/61/135337261.db2.gz SGRLPQLZUYPFLH-DYEKYZERSA-N 1 0 237.391 2.468 20 30 BEEDRO [NH2+]=C(NCc1ccc(C2CCC2)cc1)N1CCC1 ZINC000263190307 135338703 /nfs/dbraw/zinc/33/87/03/135338703.db2.gz VOCVAPPDBVHCHY-UHFFFAOYSA-N 1 0 243.354 2.475 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)NC1CCC1 ZINC000263208997 135339356 /nfs/dbraw/zinc/33/93/56/135339356.db2.gz YRQOXMIQVZJZMI-QWHCGFSZSA-N 1 0 247.317 2.138 20 30 BEEDRO c1coc(CCNC(=[NH+]C2CC2)N2CCCC2)c1 ZINC000263273854 135343364 /nfs/dbraw/zinc/34/33/64/135343364.db2.gz XUNLIVIDJZLPSG-UHFFFAOYSA-N 1 0 247.342 2.026 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@H]1CC12CCCC2 ZINC000263273411 135343392 /nfs/dbraw/zinc/34/33/92/135343392.db2.gz PTCPIROBJJVQAO-LBPRGKRZSA-N 1 0 247.342 2.277 20 30 BEEDRO [NH2+]=C(NC1CC(F)(F)C1)NC1CCCCC1 ZINC000263296119 135345133 /nfs/dbraw/zinc/34/51/33/135345133.db2.gz XVYHJFRGVVSTHF-UHFFFAOYSA-N 1 0 231.290 2.021 20 30 BEEDRO C[C@@H]1CN(Cc2cccc(C#N)c2)[C@@H](C)C[N@@H+]1C ZINC000334306990 135348790 /nfs/dbraw/zinc/34/87/90/135348790.db2.gz DQMYGZVTLLOPPP-OLZOCXBDSA-N 1 0 243.354 2.083 20 30 BEEDRO CNC(NCc1ccc(C(C)C)cc1)=[NH+]C ZINC000263999058 135361928 /nfs/dbraw/zinc/36/19/28/135361928.db2.gz YHZUQBPXRKZGOM-UHFFFAOYSA-N 1 0 219.332 2.105 20 30 BEEDRO CC#CC[NH2+][C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000079937553 135364774 /nfs/dbraw/zinc/36/47/74/135364774.db2.gz MTFZNPMVOSZKPT-OCCSQVGLSA-N 1 0 245.322 2.150 20 30 BEEDRO N#CC1(CN2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000343153523 135366334 /nfs/dbraw/zinc/36/63/34/135366334.db2.gz ZXARRYOTWYULEG-UHFFFAOYSA-N 1 0 247.386 2.098 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1cccnc1 ZINC000276350497 135367756 /nfs/dbraw/zinc/36/77/56/135367756.db2.gz WICQKFPYUSDLMZ-WDEREUQCSA-N 1 0 203.289 2.424 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000281400844 135370207 /nfs/dbraw/zinc/37/02/07/135370207.db2.gz PPRZBJCEIPYKMU-CYBMUJFWSA-N 1 0 232.327 2.230 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(CC)c1)C(C)(C)C ZINC000290178374 135374849 /nfs/dbraw/zinc/37/48/49/135374849.db2.gz NMAGBCWPYMMWHH-LBPRGKRZSA-N 1 0 219.332 2.041 20 30 BEEDRO C[N@H+](CCOCCC#N)Cc1ccccc1F ZINC000293398250 135376420 /nfs/dbraw/zinc/37/64/20/135376420.db2.gz HIXKRZOLBRLJAU-UHFFFAOYSA-N 1 0 236.290 2.188 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccsc1C ZINC000293251715 135376446 /nfs/dbraw/zinc/37/64/46/135376446.db2.gz MCCLMBFTFPJUDL-LLVKDONJSA-N 1 0 211.330 2.083 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000334376264 135376679 /nfs/dbraw/zinc/37/66/79/135376679.db2.gz VOLUJZGKNUWIGW-QWRGUYRKSA-N 1 0 200.285 2.398 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000293279938 135376734 /nfs/dbraw/zinc/37/67/34/135376734.db2.gz YIOUFFDRZMKXSQ-OAHLLOKOSA-N 1 0 244.338 2.406 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc(O)c1Cl ZINC000293397776 135376826 /nfs/dbraw/zinc/37/68/26/135376826.db2.gz XSBNOOMDFALWLY-UHFFFAOYSA-N 1 0 224.691 2.439 20 30 BEEDRO Cc1cnc([C@H](C)[NH2+]CCOCCC#N)s1 ZINC000294713412 135377503 /nfs/dbraw/zinc/37/75/03/135377503.db2.gz VFLIDVZUYUKTDP-JTQLQIEISA-N 1 0 239.344 2.032 20 30 BEEDRO C=CCOCC[NH2+]C(C)(C)c1ncc(C)s1 ZINC000294511673 135377630 /nfs/dbraw/zinc/37/76/30/135377630.db2.gz ITNOAFJYZKMMBQ-UHFFFAOYSA-N 1 0 240.372 2.479 20 30 BEEDRO Cc1cnc([C@@H](C)[NH2+]CCOCCC#N)s1 ZINC000294713425 135378220 /nfs/dbraw/zinc/37/82/20/135378220.db2.gz VFLIDVZUYUKTDP-SNVBAGLBSA-N 1 0 239.344 2.032 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294071413 135378326 /nfs/dbraw/zinc/37/83/26/135378326.db2.gz KUJWVGQGQHAXPZ-NEPJUHHUSA-N 1 0 217.316 2.282 20 30 BEEDRO C[C@H]([N@H+](C)CC#Cc1ccccc1)C(C)(C)O ZINC000295040525 135379145 /nfs/dbraw/zinc/37/91/45/135379145.db2.gz AJPPZIVNXDJVMV-ZDUSSCGKSA-N 1 0 231.339 2.129 20 30 BEEDRO C=C(C)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000334393857 135385545 /nfs/dbraw/zinc/38/55/45/135385545.db2.gz BEJSPEUJLQHSRD-CQSZACIVSA-N 1 0 222.376 2.370 20 30 BEEDRO CC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164573910 135405913 /nfs/dbraw/zinc/40/59/13/135405913.db2.gz QZWITFFSAUUTTF-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO CS[C@H](CO)[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000164629024 135431893 /nfs/dbraw/zinc/43/18/93/135431893.db2.gz JCGNPJHZHKGHMN-WDEREUQCSA-N 1 0 244.404 2.018 20 30 BEEDRO CCCNC(=[NH+]CC)N1CCS[C@@H](CC)C1 ZINC000124388539 135466233 /nfs/dbraw/zinc/46/62/33/135466233.db2.gz RUHFTGVEVARTNZ-NSHDSACASA-N 1 0 243.420 2.189 20 30 BEEDRO C=CCCC[NH+]1CCC(CCCO)CC1 ZINC000360089179 135546808 /nfs/dbraw/zinc/54/68/08/135546808.db2.gz PPJDBVZUBXZGRB-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC000289807085 135622397 /nfs/dbraw/zinc/62/23/97/135622397.db2.gz OHDVAWUWRJAYJC-BXUZGUMPSA-N 1 0 237.318 2.283 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000184261480 135624258 /nfs/dbraw/zinc/62/42/58/135624258.db2.gz YILFDYPMCUYZKE-MDZLAQPJSA-N 1 0 235.327 2.430 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000289823074 135625511 /nfs/dbraw/zinc/62/55/11/135625511.db2.gz PBQSRWAQTYOYCU-DZGCQCFKSA-N 1 0 248.370 2.340 20 30 BEEDRO C=CCOc1ccccc1CN1CC[C@@H]([NH2+]C)C1 ZINC000346649034 135948997 /nfs/dbraw/zinc/94/89/97/135948997.db2.gz NHWUMFPWCAMLGB-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000335286657 135996405 /nfs/dbraw/zinc/99/64/05/135996405.db2.gz ZDOGDMZLEAWOCT-NEPJUHHUSA-N 1 0 240.310 2.116 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CC23CC3)c1 ZINC000335286356 136002406 /nfs/dbraw/zinc/00/24/06/136002406.db2.gz QKHTYABUOWUILU-SNVBAGLBSA-N 1 0 204.298 2.262 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000347962393 136017907 /nfs/dbraw/zinc/01/79/07/136017907.db2.gz BMHMJYCQWQWMGG-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@@H](CCC)C1 ZINC000348057787 136023674 /nfs/dbraw/zinc/02/36/74/136023674.db2.gz PMXLCSAXGQRDJD-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(O)cc3C2)C1 ZINC000335317970 136025806 /nfs/dbraw/zinc/02/58/06/136025806.db2.gz IEGIRBDSARRJJM-RISCZKNCSA-N 1 0 242.322 2.443 20 30 BEEDRO N#CCc1ccc(CN2CCOCC23CC3)cc1 ZINC000335318492 136025966 /nfs/dbraw/zinc/02/59/66/136025966.db2.gz OIKJCDXEHVXHLC-UHFFFAOYSA-N 1 0 242.322 2.117 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000348052371 136031296 /nfs/dbraw/zinc/03/12/96/136031296.db2.gz OITGJCRUWVHONN-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000348146404 136039269 /nfs/dbraw/zinc/03/92/69/136039269.db2.gz FEJUCGCCNJCYLW-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCOCCC[N@@H+](C)CC[C@H]1CCCO1 ZINC000348168074 136042312 /nfs/dbraw/zinc/04/23/12/136042312.db2.gz LFGOMFADAGDJGQ-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@]1(CO)CCC ZINC000348174330 136042485 /nfs/dbraw/zinc/04/24/85/136042485.db2.gz BVJSABDYYHYEHD-AWEZNQCLSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCOCCC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000348192866 136049765 /nfs/dbraw/zinc/04/97/65/136049765.db2.gz KCCHZRBRNOYAMI-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000348193118 136050245 /nfs/dbraw/zinc/05/02/45/136050245.db2.gz KQRLPWIIVYCGSK-IHRRRGAJSA-N 1 0 241.375 2.060 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348233045 136060689 /nfs/dbraw/zinc/06/06/89/136060689.db2.gz UOBDSZZDBKKMQS-UWVGGRQHSA-N 1 0 232.274 2.430 20 30 BEEDRO C[C@@H](C[NH+](C)C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000348286947 136061997 /nfs/dbraw/zinc/06/19/97/136061997.db2.gz HBSIOYUBSCVNDW-QWRGUYRKSA-N 1 0 249.333 2.298 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+]2CCCCC[C@H]2C)C1=O ZINC000335344511 136065685 /nfs/dbraw/zinc/06/56/85/136065685.db2.gz KYWOWFIPMZGPMU-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCOCC3(CCC3)C2)C1 ZINC000335350950 136068811 /nfs/dbraw/zinc/06/88/11/136068811.db2.gz WUBRCEOUMDWDAA-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CO1 ZINC000335391555 136091031 /nfs/dbraw/zinc/09/10/31/136091031.db2.gz YSIXKMHWCDYDTF-IGJPJIBNSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CC(C)(C(N)=O)C1 ZINC000335394708 136092315 /nfs/dbraw/zinc/09/23/15/136092315.db2.gz HIACIKZMWIQXHI-JTQLQIEISA-N 1 0 243.310 2.476 20 30 BEEDRO N#CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000335584644 136101503 /nfs/dbraw/zinc/10/15/03/136101503.db2.gz WDPPJDDEGWRCST-KBPBESRZSA-N 1 0 244.363 2.442 20 30 BEEDRO N#Cc1cccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000335564246 136106947 /nfs/dbraw/zinc/10/69/47/136106947.db2.gz ZIMNBMWLRWPLDK-LSDHHAIUSA-N 1 0 243.354 2.308 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(c2nc(C)no2)C1)C(C)(C)C ZINC001647043254 1172753365 /nfs/dbraw/zinc/75/33/65/1172753365.db2.gz TZVPXYNSRQOLNU-HTAVTVPLSA-N 1 0 247.342 2.262 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H](O)c1cccc(OC)c1 ZINC000062353012 1172756203 /nfs/dbraw/zinc/75/62/03/1172756203.db2.gz RGRQMYORYSUWHS-HNNXBMFYSA-N 1 0 247.338 2.403 20 30 BEEDRO C#CC[N@@H+](CC(CC)CC)C1CSC1 ZINC001647549042 1172758317 /nfs/dbraw/zinc/75/83/17/1172758317.db2.gz LOLZUXGFVSRADD-UHFFFAOYSA-N 1 0 211.374 2.473 20 30 BEEDRO C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000062572111 1172763012 /nfs/dbraw/zinc/76/30/12/1172763012.db2.gz GTOREZKNVQACQD-UHFFFAOYSA-N 1 0 216.284 2.031 20 30 BEEDRO C[C@H](CO)[N@H+](CCCCC#N)CC1CCC1 ZINC000361484637 397782657 /nfs/dbraw/zinc/78/26/57/397782657.db2.gz KHWHZLIRIVVCOM-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cncs1 ZINC000280766933 397745831 /nfs/dbraw/zinc/74/58/31/397745831.db2.gz ZFWOQNKMCRPFQY-CMPLNLGQSA-N 1 0 238.356 2.214 20 30 BEEDRO CC(C)(C)C[N@@H+](CCC#N)CCCCCO ZINC000157237632 397933372 /nfs/dbraw/zinc/93/33/72/397933372.db2.gz LPXISQAHSUEYSK-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc(CC)nc1 ZINC000414438301 397937641 /nfs/dbraw/zinc/93/76/41/397937641.db2.gz RETBQNBTMUZDDX-UHFFFAOYSA-N 1 0 205.305 2.047 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151528 397945038 /nfs/dbraw/zinc/94/50/38/397945038.db2.gz NAYXMDAQODPIHF-CHWSQXEVSA-N 1 0 222.332 2.082 20 30 BEEDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000591015037 397920550 /nfs/dbraw/zinc/92/05/50/397920550.db2.gz UOMDMUJXENJECR-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCc2ccccc2CC1 ZINC000650101971 397923522 /nfs/dbraw/zinc/92/35/22/397923522.db2.gz CVQPCXJVZBSURH-MRXNPFEDSA-N 1 0 245.366 2.414 20 30 BEEDRO C[C@H](Cc1ccoc1)[NH2+]CC1(C#N)CCC1 ZINC000418140404 397989984 /nfs/dbraw/zinc/98/99/84/397989984.db2.gz JJVNNQBNMGFGTG-LLVKDONJSA-N 1 0 218.300 2.494 20 30 BEEDRO CC[NH+](CC)CCCN1CCC[C@H](CC#N)C1 ZINC000595623234 397993650 /nfs/dbraw/zinc/99/36/50/397993650.db2.gz KLBZAJHKAGYDPK-CQSZACIVSA-N 1 0 237.391 2.344 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC12CCCC2 ZINC000649656825 398027116 /nfs/dbraw/zinc/02/71/16/398027116.db2.gz BRMQMUNGZZDNBM-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO CCC#C[C@@H](C)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000649664776 398029732 /nfs/dbraw/zinc/02/97/32/398029732.db2.gz FDEYYWLRZAJBSS-ZIAGYGMSSA-N 1 0 234.387 2.204 20 30 BEEDRO CCOc1cncc(CN(C)[C@H](C)CC#N)c1 ZINC000598669822 398035954 /nfs/dbraw/zinc/03/59/54/398035954.db2.gz FPZYYNAWGAFYBN-LLVKDONJSA-N 1 0 233.315 2.214 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000649701259 398049652 /nfs/dbraw/zinc/04/96/52/398049652.db2.gz YVONUWFUDJNNBJ-ZIAGYGMSSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000649701256 398049825 /nfs/dbraw/zinc/04/98/25/398049825.db2.gz YVONUWFUDJNNBJ-KBPBESRZSA-N 1 0 241.375 2.203 20 30 BEEDRO N#CCCCCC(=O)Nc1ccc(C[NH3+])cc1 ZINC000594439601 397974220 /nfs/dbraw/zinc/97/42/20/397974220.db2.gz SLDGKCATGWSPDD-UHFFFAOYSA-N 1 0 231.299 2.168 20 30 BEEDRO COC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185854919 398061038 /nfs/dbraw/zinc/06/10/38/398061038.db2.gz KSTSWDFTRBTIAC-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1sccc1OC ZINC000186286708 398063191 /nfs/dbraw/zinc/06/31/91/398063191.db2.gz ANOCJQZDDJCLBU-UWVGGRQHSA-N 1 0 241.356 2.344 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649721516 398064599 /nfs/dbraw/zinc/06/45/99/398064599.db2.gz ZGYJXSAQTARRJP-HZSPNIEDSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](CC)OC[C@@H]1CC ZINC000649721517 398064950 /nfs/dbraw/zinc/06/49/50/398064950.db2.gz ZGYJXSAQTARRJP-IHRRRGAJSA-N 1 0 241.375 2.203 20 30 BEEDRO C[C@@H](CC1CCC1)[NH2+]C1CCN(CC#N)CC1 ZINC000610812606 398071166 /nfs/dbraw/zinc/07/11/66/398071166.db2.gz CWSPAPUGGVVUHX-LBPRGKRZSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC000186700807 398071718 /nfs/dbraw/zinc/07/17/18/398071718.db2.gz UHXFBPSPZFVFQR-SMDDNHRTSA-N 1 0 237.318 2.283 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccc(C)c(F)c1 ZINC000649732568 398072433 /nfs/dbraw/zinc/07/24/33/398072433.db2.gz KPRMGRJRWKHXNL-GFCCVEGCSA-N 1 0 235.302 2.435 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OCCOC ZINC000491796289 398072897 /nfs/dbraw/zinc/07/28/97/398072897.db2.gz ZGUPBARJHAQYPZ-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000602479928 398074566 /nfs/dbraw/zinc/07/45/66/398074566.db2.gz SIYOBGMDTSCMOY-MGPQQGTHSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000602481336 398075330 /nfs/dbraw/zinc/07/53/30/398075330.db2.gz AZKQRFLJPGFNTJ-JHJVBQTASA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1ccccc1[C@@H]([C@H](C)NCCC#N)[NH+](C)C ZINC000521427406 398078288 /nfs/dbraw/zinc/07/82/88/398078288.db2.gz AHWCIVMMNPUQEK-DZGCQCFKSA-N 1 0 245.370 2.490 20 30 BEEDRO CO[C@@](C)(C[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000291098176 398086756 /nfs/dbraw/zinc/08/67/56/398086756.db2.gz ZJJKHJDAXYBICC-ZDUSSCGKSA-N 1 0 234.299 2.056 20 30 BEEDRO C=C(C)CC[NH+]1CCC([C@H](C)CO)CC1 ZINC000649799352 398109091 /nfs/dbraw/zinc/10/90/91/398109091.db2.gz VLPMEBTVLOXMTE-GFCCVEGCSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCCC[NH+]1CCC([C@H](C)CO)CC1 ZINC000649802731 398111136 /nfs/dbraw/zinc/11/11/36/398111136.db2.gz TVUHIMOCGMHAHS-GFCCVEGCSA-N 1 0 211.349 2.293 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000648763419 398114201 /nfs/dbraw/zinc/11/42/01/398114201.db2.gz LZTPPUQOQDALCL-RQJABVFESA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000449161773 398123859 /nfs/dbraw/zinc/12/38/59/398123859.db2.gz PLIGJTFVEKCFHZ-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO CC1CC[NH+](CC[C@@H]2CCCN2CC#N)CC1 ZINC001648026339 1172791169 /nfs/dbraw/zinc/79/11/69/1172791169.db2.gz BFNJONYPQYPKOM-AWEZNQCLSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](CC[NH3+])c2ccccc21 ZINC000063127606 1172799861 /nfs/dbraw/zinc/79/98/61/1172799861.db2.gz KSVMQZYQZLGCKA-GFCCVEGCSA-N 1 0 244.338 2.432 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@H]1c1cc(C)n[nH]1 ZINC001648429969 1172833734 /nfs/dbraw/zinc/83/37/34/1172833734.db2.gz YZZFHOVVPDBTSC-AWEZNQCLSA-N 1 0 249.358 2.448 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@@H]1c1cc(C)n[nH]1 ZINC001648429970 1172834348 /nfs/dbraw/zinc/83/43/48/1172834348.db2.gz YZZFHOVVPDBTSC-CQSZACIVSA-N 1 0 249.358 2.448 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1Cc1ncnn1CC ZINC001648526022 1172839653 /nfs/dbraw/zinc/83/96/53/1172839653.db2.gz KBEXWACJIHYGSK-LBPRGKRZSA-N 1 0 234.347 2.229 20 30 BEEDRO C#CCC[NH2+][C@@]1(CO)CC[C@@H](C)c2ccccc21 ZINC001648616825 1172853648 /nfs/dbraw/zinc/85/36/48/1172853648.db2.gz HDUYKDGVKFDNBI-CZUORRHYSA-N 1 0 243.350 2.384 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(c2cncn2C)CC1 ZINC001648645014 1172860862 /nfs/dbraw/zinc/86/08/62/1172860862.db2.gz MQKOLQKSAMUQEM-LBPRGKRZSA-N 1 0 246.358 2.292 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597293 487561551 /nfs/dbraw/zinc/56/15/51/487561551.db2.gz YGIMAHDNFWXUPS-ZDUSSCGKSA-N 1 0 223.360 2.436 20 30 BEEDRO N#Cc1ccc(F)cc1NCC[NH+]1CCCC1 ZINC001649308917 1172872172 /nfs/dbraw/zinc/87/21/72/1172872172.db2.gz CVNLKVWXSVURDN-UHFFFAOYSA-N 1 0 233.290 2.205 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)CC(C)(F)F ZINC001649443901 1172877603 /nfs/dbraw/zinc/87/76/03/1172877603.db2.gz RKYUDXBJWHYIQL-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)CCN1CCCC1 ZINC001172502950 974856660 /nfs/dbraw/zinc/85/66/60/974856660.db2.gz XLMJNPDTGPRQTB-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C[N@H+]1CC=C(CNc2cc(F)ccc2C#N)CC1 ZINC001650913074 1172907937 /nfs/dbraw/zinc/90/79/37/1172907937.db2.gz RGKSZKNOLAKGAU-UHFFFAOYSA-N 1 0 245.301 2.371 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000279257502 166110479 /nfs/dbraw/zinc/11/04/79/166110479.db2.gz LVKCHIWKVJLGJV-UHFFFAOYSA-N 1 0 212.296 2.402 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000279252666 166110616 /nfs/dbraw/zinc/11/06/16/166110616.db2.gz LIAHKMLHPWRRLX-HNNXBMFYSA-N 1 0 245.366 2.324 20 30 BEEDRO C#CCC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000271722590 166147954 /nfs/dbraw/zinc/14/79/54/166147954.db2.gz QJOKBDQDZPJHFB-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc2c(c1)ncn2C ZINC000271695295 166127094 /nfs/dbraw/zinc/12/70/94/166127094.db2.gz RMIJFIZVBJDQKY-UHFFFAOYSA-N 1 0 241.338 2.466 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000271069599 166127830 /nfs/dbraw/zinc/12/78/30/166127830.db2.gz VFMHGFAJWHSVHP-KRWDZBQOSA-N 1 0 249.379 2.269 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000271591275 166129285 /nfs/dbraw/zinc/12/92/85/166129285.db2.gz TWKKNLHABXOIBB-LBPRGKRZSA-N 1 0 202.301 2.488 20 30 BEEDRO C#CCCC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000278860126 166129024 /nfs/dbraw/zinc/12/90/24/166129024.db2.gz LBLURQGBSIGTDU-UHFFFAOYSA-N 1 0 245.370 2.496 20 30 BEEDRO C#CCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000271666689 166132379 /nfs/dbraw/zinc/13/23/79/166132379.db2.gz MGJFGQQBWUKJPD-CQSZACIVSA-N 1 0 217.312 2.113 20 30 BEEDRO C#CCC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000270645185 166135492 /nfs/dbraw/zinc/13/54/92/166135492.db2.gz SKGBBYYMHFSNJJ-HNNXBMFYSA-N 1 0 229.323 2.256 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1CCc2ccccc2C1 ZINC000270572251 166135511 /nfs/dbraw/zinc/13/55/11/166135511.db2.gz GVGOUOXVKCQISY-OAHLLOKOSA-N 1 0 213.324 2.499 20 30 BEEDRO C#CCC[NH+]1CCC(c2ccncc2)CC1 ZINC000277347633 166136795 /nfs/dbraw/zinc/13/67/95/166136795.db2.gz WMBAXGHPEUWXAQ-UHFFFAOYSA-N 1 0 214.312 2.284 20 30 BEEDRO C#CCC[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000272906638 166136189 /nfs/dbraw/zinc/13/61/89/166136189.db2.gz GUNHGTXJKYNDRL-UHFFFAOYSA-N 1 0 244.338 2.257 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH2+]C ZINC000662603631 409776012 /nfs/dbraw/zinc/77/60/12/409776012.db2.gz YKIYBEJGERYLGI-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccccc2)CCC[NH2+]1 ZINC000662432310 409713316 /nfs/dbraw/zinc/71/33/16/409713316.db2.gz PJBPIORWLBWPJD-AWEZNQCLSA-N 1 0 230.311 2.323 20 30 BEEDRO C=CCC[NH2+]Cc1cccc2c1OCO2 ZINC000070591834 409800344 /nfs/dbraw/zinc/80/03/44/409800344.db2.gz YPCMNODFSKSCGE-UHFFFAOYSA-N 1 0 205.257 2.081 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cncc(C)c2)CCC[NH2+]1 ZINC000662729543 409875397 /nfs/dbraw/zinc/87/53/97/409875397.db2.gz LOGBJKCKQTVTAL-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cncc(C)c2)CCC[NH2+]1 ZINC000662729541 409876179 /nfs/dbraw/zinc/87/61/79/409876179.db2.gz LOGBJKCKQTVTAL-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000653162268 410098546 /nfs/dbraw/zinc/09/85/46/410098546.db2.gz WNMZLMKCXJTVPP-AAEUAGOBSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC(CC[NH3+])CC1 ZINC000653255787 410237654 /nfs/dbraw/zinc/23/76/54/410237654.db2.gz FYHRPIKEEAKPGE-GFCCVEGCSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CC[C@H](C)O1)[C@@H](C)COC ZINC000661239789 410400442 /nfs/dbraw/zinc/40/04/42/410400442.db2.gz JDZWRRIRSCBLPB-AVGNSLFASA-N 1 0 227.348 2.077 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)ccn1)[C@@H](C)COC ZINC000661240703 410402106 /nfs/dbraw/zinc/40/21/06/410402106.db2.gz QJLYZWADRRTBRJ-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](Cc1ncccc1C)[C@H](C)COC ZINC000661240586 410403088 /nfs/dbraw/zinc/40/30/88/410403088.db2.gz OTSTUQWNPHSVIE-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@@H+](CCc1cscn1)[C@H](C)COC ZINC000661241446 410403973 /nfs/dbraw/zinc/40/39/73/410403973.db2.gz YHZJBTBIMGRULB-LLVKDONJSA-N 1 0 240.372 2.209 20 30 BEEDRO C=CC[N@H+](Cc1ccc(C)cn1)[C@H](C)COC ZINC000661242626 410404043 /nfs/dbraw/zinc/40/40/43/410404043.db2.gz RIBAAONRYZCSLD-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000266155280 166198489 /nfs/dbraw/zinc/19/84/89/166198489.db2.gz LQXPAPBYOCWQAI-CYBMUJFWSA-N 1 0 247.363 2.294 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+](C)C1CC1 ZINC000153783675 166199630 /nfs/dbraw/zinc/19/96/30/166199630.db2.gz GEWAHJAESMLRLA-UHFFFAOYSA-N 1 0 215.296 2.293 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc2c[nH]nc2c1 ZINC000152925846 166203068 /nfs/dbraw/zinc/20/30/68/166203068.db2.gz ZRWXTRXVVJFYHL-UHFFFAOYSA-N 1 0 245.351 2.019 20 30 BEEDRO C#CC[C@@H]([NH2+][C@@H](C)COC)c1ccccc1 ZINC000271471631 166204974 /nfs/dbraw/zinc/20/49/74/166204974.db2.gz IKTSVUGKIXQSCL-GXTWGEPZSA-N 1 0 217.312 2.376 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1 ZINC000272872853 166205421 /nfs/dbraw/zinc/20/54/21/166205421.db2.gz AYMPEDUIKKTHRY-TZMCWYRMSA-N 1 0 217.312 2.376 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)[C@H]2C=CCCC2)n1 ZINC000279661134 166207500 /nfs/dbraw/zinc/20/75/00/166207500.db2.gz CUEYGZXYFHKBGX-HNNXBMFYSA-N 1 0 243.354 2.447 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000166398738 166211177 /nfs/dbraw/zinc/21/11/77/166211177.db2.gz GSTPLABARPCGFM-LLVKDONJSA-N 1 0 203.285 2.120 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000166398630 166217770 /nfs/dbraw/zinc/21/77/70/166217770.db2.gz GSTPLABARPCGFM-NSHDSACASA-N 1 0 203.285 2.120 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000172175199 166233318 /nfs/dbraw/zinc/23/33/18/166233318.db2.gz OREZISVOCNTTMH-UHFFFAOYSA-N 1 0 232.327 2.184 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(OC)c1O ZINC000279164477 166241581 /nfs/dbraw/zinc/24/15/81/166241581.db2.gz QEXSYCKPOSQIHE-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(O)c1OC ZINC000279891608 166241856 /nfs/dbraw/zinc/24/18/56/166241856.db2.gz STIGCTJSNBFIHF-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C=CCCC[NH2+]Cc1cnn2ccccc12 ZINC000279173220 166242074 /nfs/dbraw/zinc/24/20/74/166242074.db2.gz RAFFRSKNVCHJHQ-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](CCO)CC1CC1 ZINC000352485549 166245580 /nfs/dbraw/zinc/24/55/80/166245580.db2.gz ZOQXDUNVQDXSGH-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1 ZINC000265928300 166256979 /nfs/dbraw/zinc/25/69/79/166256979.db2.gz ZOOSIBFVVRJTEF-CYBMUJFWSA-N 1 0 223.291 2.367 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(OC)cn1 ZINC000276474431 166258565 /nfs/dbraw/zinc/25/85/65/166258565.db2.gz RYRZLMSBGSPQNU-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000270774837 166258759 /nfs/dbraw/zinc/25/87/59/166258759.db2.gz FSGWHYDHJRGHQV-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(C(=O)N(C)C)c1 ZINC000276489477 166259059 /nfs/dbraw/zinc/25/90/59/166259059.db2.gz UMWZIBVUHKSVPE-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=CCCN1CCN(c2cccc(F)c2)C(=O)C1 ZINC000338564886 166263770 /nfs/dbraw/zinc/26/37/70/166263770.db2.gz TXAFAGVHGAQKQJ-UHFFFAOYSA-N 1 0 248.301 2.050 20 30 BEEDRO C=CCC[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000268457500 166264217 /nfs/dbraw/zinc/26/42/17/166264217.db2.gz CWSKKEBBFAUQOX-AWEZNQCLSA-N 1 0 217.312 2.154 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](SC)[C@H](N2CCCC2)C1 ZINC000338563053 166264368 /nfs/dbraw/zinc/26/43/68/166264368.db2.gz HYUIGUCQFWCIHN-CHWSQXEVSA-N 1 0 240.416 2.074 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000338564582 166265274 /nfs/dbraw/zinc/26/52/74/166265274.db2.gz AKTRSEVWFQVVOE-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000273076936 166267576 /nfs/dbraw/zinc/26/75/76/166267576.db2.gz GOPVGRLGFPARMQ-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275475075 166292582 /nfs/dbraw/zinc/29/25/82/166292582.db2.gz HXYVFEXCIHJCIS-OLZOCXBDSA-N 1 0 233.359 2.390 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000271645133 166298489 /nfs/dbraw/zinc/29/84/89/166298489.db2.gz DFBVDYWSUVOEMX-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000134938621 166300572 /nfs/dbraw/zinc/30/05/72/166300572.db2.gz NAHXALMPWXZXSE-JTQLQIEISA-N 1 0 207.321 2.173 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ncnn1C ZINC000276469996 166301463 /nfs/dbraw/zinc/30/14/63/166301463.db2.gz BFDQOOMHYXLNPP-MNOVXSKESA-N 1 0 222.336 2.211 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C)CC1 ZINC000305057196 166303246 /nfs/dbraw/zinc/30/32/46/166303246.db2.gz FLIJLUVTVCBOHO-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2sccc2C1 ZINC000268690561 166303855 /nfs/dbraw/zinc/30/38/55/166303855.db2.gz ZTJKDCJTMQFHBL-LBPRGKRZSA-N 1 0 237.368 2.433 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000271491872 166303956 /nfs/dbraw/zinc/30/39/56/166303956.db2.gz IAQHOAURYWAMKX-OCCSQVGLSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cnc(C)s1 ZINC000178067981 166304008 /nfs/dbraw/zinc/30/40/08/166304008.db2.gz PPAMKBMAPPDRIP-NSHDSACASA-N 1 0 240.372 2.210 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171040906 166322845 /nfs/dbraw/zinc/32/28/45/166322845.db2.gz MUMMPUGPQKVLBI-UHFFFAOYSA-N 1 0 236.271 2.221 20 30 BEEDRO C=CC[N@H+](CC#CC)CCc1ccco1 ZINC000272249144 166323461 /nfs/dbraw/zinc/32/34/61/166323461.db2.gz HYFUUXQJAYZOSS-UHFFFAOYSA-N 1 0 203.285 2.333 20 30 BEEDRO C=CC[NH+](CC=C)CCc1cnn(CC)c1 ZINC000276283706 166334523 /nfs/dbraw/zinc/33/45/23/166334523.db2.gz GFIXNPXPHHFNFA-UHFFFAOYSA-N 1 0 219.332 2.120 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(CO)cc1 ZINC000084896443 166334614 /nfs/dbraw/zinc/33/46/14/166334614.db2.gz TXUQFWMTBOWUFT-UHFFFAOYSA-N 1 0 217.312 2.353 20 30 BEEDRO C=CCN(CCc1ccccc1)[C@@H](C)C(=O)OC ZINC000265977990 166343738 /nfs/dbraw/zinc/34/37/38/166343738.db2.gz AHIDVJPACDMBPW-ZDUSSCGKSA-N 1 0 247.338 2.279 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)Cc1ccccc1)C1CC1 ZINC000271538923 166346683 /nfs/dbraw/zinc/34/66/83/166346683.db2.gz YQLGOLHSMNXHJP-OAHLLOKOSA-N 1 0 231.339 2.240 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C(C)=C/CC)CC1 ZINC000264527177 166351985 /nfs/dbraw/zinc/35/19/85/166351985.db2.gz ZAIPKRDGZOAARY-WUXMJOGZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C(\C)C2CC2)CC1 ZINC000264519132 166352815 /nfs/dbraw/zinc/35/28/15/166352815.db2.gz WFAUEEWKUACMPN-VAWYXSNFSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1Cc2ccccc2OC[C@H]1C ZINC000273056259 166361171 /nfs/dbraw/zinc/36/11/71/166361171.db2.gz ZKQYICQWILOWJG-LLVKDONJSA-N 1 0 203.285 2.456 20 30 BEEDRO C=CC[N@@H+]1C[C@H](C(=O)NCCCC)CC[C@H]1C ZINC000064995200 166361489 /nfs/dbraw/zinc/36/14/89/166361489.db2.gz LARMAPHNXXAPLQ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000661385319 410600645 /nfs/dbraw/zinc/60/06/45/410600645.db2.gz NGGPRVNBGFFHIK-LBPRGKRZSA-N 1 0 231.343 2.452 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000661386885 410602352 /nfs/dbraw/zinc/60/23/52/410602352.db2.gz VPSPMLCBEQUNIC-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cccnc2N)C1 ZINC000661386113 410602958 /nfs/dbraw/zinc/60/29/58/410602958.db2.gz QZOQJHDNZFQKFY-GFCCVEGCSA-N 1 0 231.343 2.452 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000680585775 487618194 /nfs/dbraw/zinc/61/81/94/487618194.db2.gz JLDLIHKESMHBIO-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661500019 410713605 /nfs/dbraw/zinc/71/36/05/410713605.db2.gz SAVIIIIZMWJUKO-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C)s1 ZINC000053560717 487618531 /nfs/dbraw/zinc/61/85/31/487618531.db2.gz NMDQBALORXXMTQ-UHFFFAOYSA-N 1 0 211.330 2.349 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000655488966 410794919 /nfs/dbraw/zinc/79/49/19/410794919.db2.gz KHSSBRIHCKSSIM-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000655488970 410795171 /nfs/dbraw/zinc/79/51/71/410795171.db2.gz KHSSBRIHCKSSIM-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](N[C@H](C)C[NH2+]C)c1ccco1 ZINC000665298596 410831153 /nfs/dbraw/zinc/83/11/53/410831153.db2.gz YSLOYYHFCKXSIY-NEPJUHHUSA-N 1 0 222.332 2.484 20 30 BEEDRO CC(C)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000034674595 166938607 /nfs/dbraw/zinc/93/86/07/166938607.db2.gz QPNHXYMQSAZYAS-CQSZACIVSA-N 1 0 232.327 2.179 20 30 BEEDRO CC(C)OCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336673523 167212479 /nfs/dbraw/zinc/21/24/79/167212479.db2.gz KTUBAZUTJORZMN-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)OCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000020198072 167223141 /nfs/dbraw/zinc/22/31/41/167223141.db2.gz ZMQMUFXTIIVOSK-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO CC(C)OCC[NH2+]Cc1cccc(C#N)c1 ZINC000049259456 167241526 /nfs/dbraw/zinc/24/15/26/167241526.db2.gz PYZVOTQIORYCRI-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276757701 167369511 /nfs/dbraw/zinc/36/95/11/167369511.db2.gz MDJQTOUJCAUMBS-LLVKDONJSA-N 1 0 219.332 2.373 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000230689214 167393758 /nfs/dbraw/zinc/39/37/58/167393758.db2.gz XNSWAKACNLPMRF-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO CC[NH+](CC)Cc1ccc(OCC#N)cc1 ZINC000077012589 169791030 /nfs/dbraw/zinc/79/10/30/169791030.db2.gz XGYXOCZRWGKDPI-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)CCF ZINC000652019080 410998224 /nfs/dbraw/zinc/99/82/24/410998224.db2.gz JITWKCFGHKITTI-GHMZBOCLSA-N 1 0 203.301 2.041 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC000192235877 411061904 /nfs/dbraw/zinc/06/19/04/411061904.db2.gz MLDUZPDPQOZQJB-CYBMUJFWSA-N 1 0 203.260 2.378 20 30 BEEDRO C=CC[NH2+]Cc1cc2c(cc1OC)C[C@H](C)O2 ZINC000105760670 411071428 /nfs/dbraw/zinc/07/14/28/411071428.db2.gz LMEGGWBETBUCTC-JTQLQIEISA-N 1 0 233.311 2.294 20 30 BEEDRO COc1ncccc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192651873 411072660 /nfs/dbraw/zinc/07/26/60/411072660.db2.gz QSQIRBZAWGRALN-WCQYABFASA-N 1 0 245.326 2.262 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCOCCOC)C1 ZINC000651670129 411133533 /nfs/dbraw/zinc/13/35/33/411133533.db2.gz WUQPRPKQNVSMFO-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000651667621 411134042 /nfs/dbraw/zinc/13/40/42/411134042.db2.gz KPQPIIYDVSJHLB-FRRDWIJNSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000651667620 411134223 /nfs/dbraw/zinc/13/42/23/411134223.db2.gz KPQPIIYDVSJHLB-AGIUHOORSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000651683965 411135573 /nfs/dbraw/zinc/13/55/73/411135573.db2.gz VEWZSUNGGVSZNR-TZMCWYRMSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCC(=O)N(C)C)C1 ZINC000651689450 411136478 /nfs/dbraw/zinc/13/64/78/411136478.db2.gz VNLVODCDVJRNSP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)C2CC2)C1 ZINC000651709536 411137762 /nfs/dbraw/zinc/13/77/62/411137762.db2.gz ZVOROJCUJVMVCS-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000651726754 411139062 /nfs/dbraw/zinc/13/90/62/411139062.db2.gz YNZWPUWVSOLUPV-MQYQWHSLSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCN2CCC2)C1 ZINC000651739158 411139867 /nfs/dbraw/zinc/13/98/67/411139867.db2.gz KRDSZDGAUROCAW-QWHCGFSZSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CC2CC2)C1 ZINC000651742100 411140533 /nfs/dbraw/zinc/14/05/33/411140533.db2.gz CZTIOIRJPXSHJG-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCN2CCCC2)C1 ZINC000651749801 411140908 /nfs/dbraw/zinc/14/09/08/411140908.db2.gz KFQGKBFDIIIUIZ-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000651761160 411142325 /nfs/dbraw/zinc/14/23/25/411142325.db2.gz GRYFPUMJHZDZAX-FRRDWIJNSA-N 1 0 209.333 2.258 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)C1 ZINC000651767940 411142716 /nfs/dbraw/zinc/14/27/16/411142716.db2.gz RNYBYIKTBUSIKF-XQHKEYJVSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000651791315 411143951 /nfs/dbraw/zinc/14/39/51/411143951.db2.gz QBMATVWLLYYMMF-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000651806990 411144629 /nfs/dbraw/zinc/14/46/29/411144629.db2.gz GPXYPQWXKSVWMT-YNEHKIRRSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CO)C1 ZINC000651824632 411145567 /nfs/dbraw/zinc/14/55/67/411145567.db2.gz WDOCMRMFKVGYTC-XUXIUFHCSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CC)[C@@H](C)O)C1 ZINC000651822794 411146015 /nfs/dbraw/zinc/14/60/15/411146015.db2.gz KICFDKZMIYHWKN-FVCCEPFGSA-N 1 0 211.349 2.480 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1cc(OC)ccc1OC ZINC000070197463 411164685 /nfs/dbraw/zinc/16/46/85/411164685.db2.gz BONVLOCDURXGHB-NSHDSACASA-N 1 0 233.311 2.378 20 30 BEEDRO CC(C)[C@@H](C)[N@H+](C)Cc1nc(C#N)cs1 ZINC000356061825 411162571 /nfs/dbraw/zinc/16/25/71/411162571.db2.gz SXGKZADGNMGPOQ-SECBINFHSA-N 1 0 223.345 2.491 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCN1CCC1 ZINC000657930724 411170649 /nfs/dbraw/zinc/17/06/49/411170649.db2.gz KIWKZZXNNVLKKN-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000657933515 411171778 /nfs/dbraw/zinc/17/17/78/411171778.db2.gz RWWGOEJSRPNISQ-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000657941609 411176215 /nfs/dbraw/zinc/17/62/15/411176215.db2.gz XYNCXJVWFQNKQO-VXGBXAGGSA-N 1 0 222.336 2.001 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000657941607 411176523 /nfs/dbraw/zinc/17/65/23/411176523.db2.gz XYNCXJVWFQNKQO-NWDGAFQWSA-N 1 0 222.336 2.001 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]Cc1cc(C#N)cs1 ZINC000304624459 411179563 /nfs/dbraw/zinc/17/95/63/411179563.db2.gz JFQQTMXZILDQMD-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCn2ccnc21 ZINC000655764857 411243621 /nfs/dbraw/zinc/24/36/21/411243621.db2.gz SZDCOBVMGDTQHA-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000397913296 411243814 /nfs/dbraw/zinc/24/38/14/411243814.db2.gz BULNDVRNGRTQDV-NXEZZACHSA-N 1 0 210.346 2.021 20 30 BEEDRO C=C(C)CN1CC[NH+](C(C)(C)CC)CC1 ZINC000653808091 411188800 /nfs/dbraw/zinc/18/88/00/411188800.db2.gz OPGVAEMUMIRKBS-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812891 411190451 /nfs/dbraw/zinc/19/04/51/411190451.db2.gz SQVJZXVZDBDZEJ-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCn2nccc21 ZINC000657995276 411191884 /nfs/dbraw/zinc/19/18/84/411191884.db2.gz DPVNZGLQHXSCAH-LLVKDONJSA-N 1 0 205.305 2.274 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](COC)C1CCOCC1 ZINC000658097261 411244920 /nfs/dbraw/zinc/24/49/20/411244920.db2.gz SONOESCCGYDIIO-OCCSQVGLSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CC(=O)NC ZINC000658029070 411206190 /nfs/dbraw/zinc/20/61/90/411206190.db2.gz NNZXISCHCKWLSR-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000658104068 411245981 /nfs/dbraw/zinc/24/59/81/411245981.db2.gz YSTDCMUSFKTGOA-FIQHERPVSA-N 1 0 234.347 2.474 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1CCC(OCC)CC1 ZINC000658032821 411211587 /nfs/dbraw/zinc/21/15/87/411211587.db2.gz XHQJEUXPWIRBRB-MOKVOYLWSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000658104070 411246695 /nfs/dbraw/zinc/24/66/95/411246695.db2.gz YSTDCMUSFKTGOA-WHOHXGKFSA-N 1 0 234.347 2.474 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@](C)(CO)OC ZINC000655787637 411235909 /nfs/dbraw/zinc/23/59/09/411235909.db2.gz YBQSLOHZSZUVKK-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)C1CC1 ZINC000658157583 411271053 /nfs/dbraw/zinc/27/10/53/411271053.db2.gz ZWEJXUNUWPIQMK-WCQYABFASA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000658210123 411294588 /nfs/dbraw/zinc/29/45/88/411294588.db2.gz OLDLYBIXMKMLLZ-NSHDSACASA-N 1 0 238.306 2.464 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000448706029 411303428 /nfs/dbraw/zinc/30/34/28/411303428.db2.gz FJEYYZPBBNHULB-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](COC)C1CCCC1 ZINC000446928256 411309208 /nfs/dbraw/zinc/30/92/08/411309208.db2.gz KQAKKIVJGAVEFR-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccco1 ZINC000658257933 411317321 /nfs/dbraw/zinc/31/73/21/411317321.db2.gz UQXIFWUSUOYULL-NWDGAFQWSA-N 1 0 248.326 2.155 20 30 BEEDRO C=CCC1(NC(=O)[C@H](C)[NH+](C)C)CCCCC1 ZINC000654021072 411319093 /nfs/dbraw/zinc/31/90/93/411319093.db2.gz BFLOIJRXXFPKGI-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@H](c1nccn1C)C1CC1 ZINC000658116691 411248919 /nfs/dbraw/zinc/24/89/19/411248919.db2.gz NNCVNFHGMMCVSV-NSHDSACASA-N 1 0 205.305 2.037 20 30 BEEDRO C=CCn1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000656445407 411253333 /nfs/dbraw/zinc/25/33/33/411253333.db2.gz GBQCNMVZMJDFGO-UHFFFAOYSA-N 1 0 234.347 2.229 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH2+]C ZINC000659328442 411357347 /nfs/dbraw/zinc/35/73/47/411357347.db2.gz FYHBUOJXVXTQBZ-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000660628995 411361016 /nfs/dbraw/zinc/36/10/16/411361016.db2.gz YEIIBMUGSUCHPB-ZFWWWQNUSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)N(C)C ZINC000662091486 411361321 /nfs/dbraw/zinc/36/13/21/411361321.db2.gz YOFJFPCTRRIACJ-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccc(N)nc2)C1 ZINC000656787628 411365987 /nfs/dbraw/zinc/36/59/87/411365987.db2.gz PPOUUUPSLWAJGK-LBPRGKRZSA-N 1 0 231.343 2.452 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000662168536 411371304 /nfs/dbraw/zinc/37/13/04/411371304.db2.gz KHEMHMHTBDJBIZ-DGCLKSJQSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000656703750 411339753 /nfs/dbraw/zinc/33/97/53/411339753.db2.gz WLIZFJOCHNFXLB-UHFFFAOYSA-N 1 0 218.300 2.181 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000658334533 411342253 /nfs/dbraw/zinc/34/22/53/411342253.db2.gz LVUGOHBVYWUWHL-GXSJLCMTSA-N 1 0 248.351 2.494 20 30 BEEDRO CC1(CO)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000186934569 168051218 /nfs/dbraw/zinc/05/12/18/168051218.db2.gz BZPUGIKGCFDWBA-UHFFFAOYSA-N 1 0 244.338 2.153 20 30 BEEDRO C=C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659910652 411380081 /nfs/dbraw/zinc/38/00/81/411380081.db2.gz MTZMFDQCDRJBRA-JTQLQIEISA-N 1 0 217.259 2.063 20 30 BEEDRO CC1=CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000270393035 168115524 /nfs/dbraw/zinc/11/55/24/168115524.db2.gz YLCNTTUULBDDKE-OAHLLOKOSA-N 1 0 242.322 2.244 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000657046347 411398497 /nfs/dbraw/zinc/39/84/97/411398497.db2.gz JHMITTRBOWMAOM-CYBMUJFWSA-N 1 0 247.338 2.304 20 30 BEEDRO CC[N@H+](CCNc1cccc(C#N)n1)C(C)C ZINC000301820776 169846853 /nfs/dbraw/zinc/84/68/53/169846853.db2.gz GMERWLWGHYENHL-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO COc1cc(C#N)ccc1C[N@H+](C)C1CC1 ZINC000120637133 411403798 /nfs/dbraw/zinc/40/37/98/411403798.db2.gz LWHJMOGHUDJTCN-UHFFFAOYSA-N 1 0 216.284 2.161 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000653052897 411406194 /nfs/dbraw/zinc/40/61/94/411406194.db2.gz OPSOXJUJPQWEIL-TZMCWYRMSA-N 1 0 240.391 2.468 20 30 BEEDRO CC(C)COCC[NH+]1CCC(CC#N)CC1 ZINC000397220291 411410550 /nfs/dbraw/zinc/41/05/50/411410550.db2.gz FFKKNHULRFRGKT-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCCn1cc(C[N@H+](C)CC2CCCC2)nn1 ZINC000653525108 411417990 /nfs/dbraw/zinc/41/79/90/411417990.db2.gz AOQGGHXJNLVMGD-UHFFFAOYSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCCC2(C)C)nn1 ZINC000653542655 411419333 /nfs/dbraw/zinc/41/93/33/411419333.db2.gz XSBADBSJEIOXMZ-UHFFFAOYSA-N 1 0 234.347 2.229 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)nn1 ZINC000653561706 411422275 /nfs/dbraw/zinc/42/22/75/411422275.db2.gz QOVLLNQSEKJKMN-OLZOCXBDSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C(C)C)C2)nn1 ZINC000653568320 411423727 /nfs/dbraw/zinc/42/37/27/411423727.db2.gz QQGKQEBRLRZSBG-ZDUSSCGKSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@H]2C)nn1 ZINC000653564920 411423800 /nfs/dbraw/zinc/42/38/00/411423800.db2.gz RSMURLTZWYPUAT-NWDGAFQWSA-N 1 0 234.347 2.085 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590464 411424913 /nfs/dbraw/zinc/42/49/13/411424913.db2.gz CLYHZMBMISUEEO-CHWSQXEVSA-N 1 0 231.343 2.011 20 30 BEEDRO CCCC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336729042 411437986 /nfs/dbraw/zinc/43/79/86/411437986.db2.gz HKALNKKWBRLHNI-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO CC[N@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000191211861 169901130 /nfs/dbraw/zinc/90/11/30/169901130.db2.gz BBKCWUKTKFKWSG-UHFFFAOYSA-N 1 0 205.305 2.127 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCNC1=O ZINC000657285129 411443510 /nfs/dbraw/zinc/44/35/10/411443510.db2.gz ZRSQEQKRIGUDMF-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](COC)OC ZINC000659822631 411464278 /nfs/dbraw/zinc/46/42/78/411464278.db2.gz MNQUBZSEROYHJB-OAHLLOKOSA-N 1 0 249.354 2.336 20 30 BEEDRO C=CC[NH+](CC=C)CCCC(=O)NCC(C)C ZINC000659839806 411472681 /nfs/dbraw/zinc/47/26/81/411472681.db2.gz YHYMBNHLWZBRII-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCCn1cc(C[NH2+]C(C)(C)C(C)C)nn1 ZINC000657357229 411479487 /nfs/dbraw/zinc/47/94/87/411479487.db2.gz ZMGZIPUYPULBDJ-UHFFFAOYSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657363822 411481623 /nfs/dbraw/zinc/48/16/23/411481623.db2.gz POGSZTIDBGMGAZ-SNVBAGLBSA-N 1 0 220.320 2.057 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](CCC)C1CCC1 ZINC000657378807 411487335 /nfs/dbraw/zinc/48/73/35/411487335.db2.gz SLKSKYPSHTVYER-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000307943338 411490181 /nfs/dbraw/zinc/49/01/81/411490181.db2.gz FINUAEARSULSJF-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000659942621 411506221 /nfs/dbraw/zinc/50/62/21/411506221.db2.gz XLXADXKBHPYMHO-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](CC)CC=C)nn1 ZINC000657455360 411516379 /nfs/dbraw/zinc/51/63/79/411516379.db2.gz IMDIZBDDVHZICU-GFCCVEGCSA-N 1 0 234.347 2.299 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657463110 411518824 /nfs/dbraw/zinc/51/88/24/411518824.db2.gz ILLDRGXGXZCYKA-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC2=CCCCC2)nn1 ZINC000657477676 411525635 /nfs/dbraw/zinc/52/56/35/411525635.db2.gz QSJMKZOAWWCZIR-UHFFFAOYSA-N 1 0 246.358 2.444 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657478877 411526169 /nfs/dbraw/zinc/52/61/69/411526169.db2.gz GRXMBDUIMBISDD-UHFFFAOYSA-N 1 0 247.264 2.495 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2(C)CC=CC2)nn1 ZINC000657505601 411540026 /nfs/dbraw/zinc/54/00/26/411540026.db2.gz RWUIFKKSAZOCFI-UHFFFAOYSA-N 1 0 232.331 2.053 20 30 BEEDRO C=CCCC1(C[NH2+]Cc2cnnn2C)CCCC1 ZINC000657566845 411552938 /nfs/dbraw/zinc/55/29/38/411552938.db2.gz AYMCYFXURBKTON-UHFFFAOYSA-N 1 0 248.374 2.431 20 30 BEEDRO C=CCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000657583044 411554425 /nfs/dbraw/zinc/55/44/25/411554425.db2.gz VPKFJAWDPUICCG-UHFFFAOYSA-N 1 0 208.330 2.298 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000657583065 411554684 /nfs/dbraw/zinc/55/46/84/411554684.db2.gz WXNXFKVLXCKODQ-ZDUSSCGKSA-N 1 0 216.328 2.431 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCC(=O)NCC(C)C ZINC000660219750 411555155 /nfs/dbraw/zinc/55/51/55/411555155.db2.gz FUYYMMJPLRUWLV-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CCOC(=O)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037749562 170210117 /nfs/dbraw/zinc/21/01/17/170210117.db2.gz RMQSAGUQTIXREW-LLVKDONJSA-N 1 0 246.310 2.162 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C2(CO)CC2)C1 ZINC000657608617 411561749 /nfs/dbraw/zinc/56/17/49/411561749.db2.gz WNJZFLLNAAWMCA-JHJVBQTASA-N 1 0 223.360 2.482 20 30 BEEDRO CCOCCC[NH2+]Cc1cccc(C#N)c1 ZINC000019962875 170381763 /nfs/dbraw/zinc/38/17/63/170381763.db2.gz NRXGQEOBGVINGI-UHFFFAOYSA-N 1 0 218.300 2.074 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCOCCF)C1 ZINC000663338301 411630021 /nfs/dbraw/zinc/63/00/21/411630021.db2.gz GIHCSPGJNUNIJS-NEPJUHHUSA-N 1 0 215.312 2.307 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](OC)[C@@H]1CCOC1 ZINC000660430394 411583537 /nfs/dbraw/zinc/58/35/37/411583537.db2.gz SYNXRXFDOZSIGK-MGPQQGTHSA-N 1 0 239.359 2.078 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](OC)[C@H]1CCOC1 ZINC000660430389 411583658 /nfs/dbraw/zinc/58/36/58/411583658.db2.gz SYNXRXFDOZSIGK-BFHYXJOUSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000657842922 411610684 /nfs/dbraw/zinc/61/06/84/411610684.db2.gz LJGNRRSPRKANFU-HZSPNIEDSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000660722635 411618912 /nfs/dbraw/zinc/61/89/12/411618912.db2.gz LKHSTIPUBILGFV-RGDJUOJXSA-N 1 0 221.344 2.356 20 30 BEEDRO C=C(C)CC[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000660752064 411620802 /nfs/dbraw/zinc/62/08/02/411620802.db2.gz RJWPYPSTWPLCMP-UHFFFAOYSA-N 1 0 235.331 2.282 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC#CCOC ZINC000661114072 411712851 /nfs/dbraw/zinc/71/28/51/411712851.db2.gz CSXRAWPLMIWSOI-KGLIPLIRSA-N 1 0 221.344 2.361 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660930214 411682336 /nfs/dbraw/zinc/68/23/36/411682336.db2.gz LBYNZONTTLABMN-AVGNSLFASA-N 1 0 209.333 2.188 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000661214035 411733902 /nfs/dbraw/zinc/73/39/02/411733902.db2.gz GDDPKOYJUWKNBU-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000661214034 411734039 /nfs/dbraw/zinc/73/40/39/411734039.db2.gz GDDPKOYJUWKNBU-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@H+](Cc1cccnc1C)[C@@H](C)COC ZINC000661240929 411735407 /nfs/dbraw/zinc/73/54/07/411735407.db2.gz TXAMGDYZYDQTQN-LBPRGKRZSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@@H+](CCOCC1CCC1)[C@@H](C)COC ZINC000661238909 411739348 /nfs/dbraw/zinc/73/93/48/411739348.db2.gz HKYLIMKYTZLZCM-ZDUSSCGKSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@@H+](CCc1ccncc1C)[C@@H](C)COC ZINC000661238574 411739655 /nfs/dbraw/zinc/73/96/55/411739655.db2.gz DXJSYTXOKABKSS-AWEZNQCLSA-N 1 0 248.370 2.455 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1CCCO1)[C@H](C)COC ZINC000661239269 411739913 /nfs/dbraw/zinc/73/99/13/411739913.db2.gz DNUBIVRKUJGLAB-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[N@@H+](CC1CC(OCC)C1)[C@@H](C)COC ZINC000661240987 411740623 /nfs/dbraw/zinc/74/06/23/411740623.db2.gz UTHPKZXHHPTIBA-HSBZDZAISA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)CCC(C)C)[C@@H](C)COC ZINC000661240606 411741038 /nfs/dbraw/zinc/74/10/38/411741038.db2.gz OYULAXNPJHNTAL-KBPBESRZSA-N 1 0 243.391 2.306 20 30 BEEDRO C=CC[N@@H+](CCC[C@@H]1CCOC1)[C@H](C)COC ZINC000661241083 411741455 /nfs/dbraw/zinc/74/14/55/411741455.db2.gz WPLYKOCOSADBOR-ZIAGYGMSSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCCCO1)[C@H](C)COC ZINC000661244650 411742489 /nfs/dbraw/zinc/74/24/89/411742489.db2.gz XCFPZIKHBWERAR-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@@H](CO)CNc1[nH+]ccc2[nH]ccc21 ZINC000663771057 411743045 /nfs/dbraw/zinc/74/30/45/411743045.db2.gz UAPZLAKROGMQQE-SNVBAGLBSA-N 1 0 231.299 2.159 20 30 BEEDRO C=CC[C@H](CO)CNc1[nH+]ccc2[nH]ccc21 ZINC000663771056 411743905 /nfs/dbraw/zinc/74/39/05/411743905.db2.gz UAPZLAKROGMQQE-JTQLQIEISA-N 1 0 231.299 2.159 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](C[C@H]2CCOC2)C1 ZINC000661378863 411760020 /nfs/dbraw/zinc/76/00/20/411760020.db2.gz NJMNVCKRRPEHKT-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000661378675 411760500 /nfs/dbraw/zinc/76/05/00/411760500.db2.gz KCZJPKHPNGGQPQ-ZDUSSCGKSA-N 1 0 219.332 2.171 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NCC(C)C)C1 ZINC000661377312 411761164 /nfs/dbraw/zinc/76/11/64/411761164.db2.gz OFBUQWQMGDWHKL-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000661380370 411761688 /nfs/dbraw/zinc/76/16/88/411761688.db2.gz GDSQCLMOFVNIHK-GFCCVEGCSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2ccnn2C)C1 ZINC000661380128 411762302 /nfs/dbraw/zinc/76/23/02/411762302.db2.gz FDMFPVKAOYNMQF-LBPRGKRZSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC2(C)COC2)C1 ZINC000661379932 411762415 /nfs/dbraw/zinc/76/24/15/411762415.db2.gz JMKCIVXQSTVKJB-LBPRGKRZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCn2cc(C)cn2)C1 ZINC000661380003 411762496 /nfs/dbraw/zinc/76/24/96/411762496.db2.gz KMYPQNPDBQMSBJ-CQSZACIVSA-N 1 0 233.359 2.480 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H](CO)C(=C)C)C1 ZINC000661382206 411763862 /nfs/dbraw/zinc/76/38/62/411763862.db2.gz ULDSXMJWEOOYGL-QWHCGFSZSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661489366 411787104 /nfs/dbraw/zinc/78/71/04/411787104.db2.gz ANXIYJRXXGSGTL-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)[C@@H]1CCCOC1 ZINC000663701537 411725424 /nfs/dbraw/zinc/72/54/24/411725424.db2.gz JLGIFNDSABURPF-CYBMUJFWSA-N 1 0 235.327 2.489 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661626551 411822574 /nfs/dbraw/zinc/82/25/74/411822574.db2.gz NGULCIISWBEKEL-GXTWGEPZSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CC[N@@H+](CC(=O)N(C)CC1CC1)C(C)(C)C ZINC000661756316 411867208 /nfs/dbraw/zinc/86/72/08/411867208.db2.gz KBLWOIDZZUKXPT-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](Cc1cncn1C)C(C)(C)C ZINC000661756244 411867387 /nfs/dbraw/zinc/86/73/87/411867387.db2.gz HJHHQLCZKDLTNM-UHFFFAOYSA-N 1 0 207.321 2.207 20 30 BEEDRO C=CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C(C)(C)C ZINC000661755204 411867518 /nfs/dbraw/zinc/86/75/18/411867518.db2.gz IZRVFPINFRXIAZ-GFCCVEGCSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCCNc1cc(N2CCCCC2)ncn1 ZINC000664228831 411889032 /nfs/dbraw/zinc/88/90/32/411889032.db2.gz VSBUCWIPNZKAEK-UHFFFAOYSA-N 1 0 232.331 2.455 20 30 BEEDRO C=CCC1([NH2+]CC(=O)N[C@H](C)CC)CCCC1 ZINC000661848120 411901276 /nfs/dbraw/zinc/90/12/76/411901276.db2.gz ANXIQJGDMXSXCB-GFCCVEGCSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC1([NH2+]CCc2cn[nH]c2)CCCC1 ZINC000661851152 411902133 /nfs/dbraw/zinc/90/21/33/411902133.db2.gz QUULSZSPLUQZCX-UHFFFAOYSA-N 1 0 219.332 2.431 20 30 BEEDRO C=CCC1([NH2+]CC(=O)N2CCCC2)CCCC1 ZINC000661851466 411902596 /nfs/dbraw/zinc/90/25/96/411902596.db2.gz RVUDIPVEAOQSAV-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661857446 411905824 /nfs/dbraw/zinc/90/58/24/411905824.db2.gz NVPPTGDDILGOBG-XQQFMLRXSA-N 1 0 209.333 2.288 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000661873787 411911581 /nfs/dbraw/zinc/91/15/81/411911581.db2.gz GJWFLHKUKBRWFY-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661873786 411912099 /nfs/dbraw/zinc/91/20/99/411912099.db2.gz GJWFLHKUKBRWFY-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000661872802 411912494 /nfs/dbraw/zinc/91/24/94/411912494.db2.gz DIIBLFHKEFZIQP-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)N(C)C)C(C)(C)C ZINC000661760303 411870920 /nfs/dbraw/zinc/87/09/20/411870920.db2.gz PVMXQXRHCNFBEB-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)CCOCC)C(C)(C)C ZINC000661759205 411872004 /nfs/dbraw/zinc/87/20/04/411872004.db2.gz DODMHUPBWXVWHE-GFCCVEGCSA-N 1 0 229.364 2.060 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661777526 411884255 /nfs/dbraw/zinc/88/42/55/411884255.db2.gz HMANJYDFKPXJPA-KGLIPLIRSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065022 411968360 /nfs/dbraw/zinc/96/83/60/411968360.db2.gz YHDBZQVOEQVBCH-CABCVRRESA-N 1 0 247.338 2.077 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@](C)(O)C(F)(F)F ZINC000662089782 411984036 /nfs/dbraw/zinc/98/40/36/411984036.db2.gz FTQQXTGAUNOFAF-OUAUKWLOSA-N 1 0 249.276 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662162602 412013223 /nfs/dbraw/zinc/01/32/23/412013223.db2.gz RIZMABMQHDSRNQ-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1c(C)cc(C)cc1C ZINC000662165811 412014890 /nfs/dbraw/zinc/01/48/90/412014890.db2.gz PWBXXSNZLHSREY-CYBMUJFWSA-N 1 0 219.328 2.248 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(SC)c1 ZINC000662168627 412017693 /nfs/dbraw/zinc/01/76/93/412017693.db2.gz NVTWURYWBYGSRW-LLVKDONJSA-N 1 0 223.341 2.045 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030208 411945109 /nfs/dbraw/zinc/94/51/09/411945109.db2.gz LGPYRLOIHRPUAA-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000662043352 411960272 /nfs/dbraw/zinc/96/02/72/411960272.db2.gz JKXVTRNWKUQVHZ-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)CC1=CCSC1 ZINC000662265344 412056632 /nfs/dbraw/zinc/05/66/32/412056632.db2.gz XELWASYYJNOXAM-LLVKDONJSA-N 1 0 209.358 2.393 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](CCC1CC1)CC1CC1 ZINC000662178361 412021665 /nfs/dbraw/zinc/02/16/65/412021665.db2.gz BOCMBMYNPUPNIN-AWEZNQCLSA-N 1 0 223.360 2.436 20 30 BEEDRO COCC#CC[N@H+](C)C[C@H]1CCc2ccccc21 ZINC000662196459 412022719 /nfs/dbraw/zinc/02/27/19/412022719.db2.gz BCGCLAYVRPUGLB-OAHLLOKOSA-N 1 0 243.350 2.298 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C[C@H]1O ZINC000270839119 171093367 /nfs/dbraw/zinc/09/33/67/171093367.db2.gz DVOWMMIDNYRCIF-NJZAAPMLSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(COC)CCCCC1 ZINC000662341708 412109337 /nfs/dbraw/zinc/10/93/37/412109337.db2.gz RAHVNGPGQRGWOV-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO CC[C@H](CNc1cccc(C#N)n1)[NH+]1CCCC1 ZINC000270091049 171441202 /nfs/dbraw/zinc/44/12/02/171441202.db2.gz XHMYQYHANBCEBR-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CC[C@@]1(C(=O)N(C)CCC(C)C)CCC[NH2+]1 ZINC000662479475 412189535 /nfs/dbraw/zinc/18/95/35/412189535.db2.gz JGWAFEWKJBFHOD-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccc(F)cc2)CCC[NH2+]1 ZINC000662431421 412168022 /nfs/dbraw/zinc/16/80/22/412168022.db2.gz AHYDQCKITXCKIH-AWEZNQCLSA-N 1 0 248.301 2.463 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665290295 412236306 /nfs/dbraw/zinc/23/63/06/412236306.db2.gz SIAPPVZLGSCEBZ-ZDUSSCGKSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCCN(C)C(=O)C1([NH2+]C2CC2)CCC1 ZINC000662617573 412243708 /nfs/dbraw/zinc/24/37/08/412243708.db2.gz XSDCMOIRNCQKQI-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])CCC)C1 ZINC000662637868 412252338 /nfs/dbraw/zinc/25/23/38/412252338.db2.gz ZLLXFVNQMJJAME-OCCSQVGLSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[C@@]1(C(=O)NCC[C@@H](C)CC)CCC[NH2+]1 ZINC000662854642 412324165 /nfs/dbraw/zinc/32/41/65/412324165.db2.gz PAEBYUFGPUKPKI-JSGCOSHPSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@]1(C(=O)NCC[C@H](C)CC)CCC[NH2+]1 ZINC000662854643 412324467 /nfs/dbraw/zinc/32/44/67/412324467.db2.gz PAEBYUFGPUKPKI-OCCSQVGLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000132863096 412329838 /nfs/dbraw/zinc/32/98/38/412329838.db2.gz KSONQBUXLRIFCJ-XQHKEYJVSA-N 1 0 221.344 2.498 20 30 BEEDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000087011887 171703790 /nfs/dbraw/zinc/70/37/90/171703790.db2.gz MXWZYJHNXCBFID-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000662953152 412353293 /nfs/dbraw/zinc/35/32/93/412353293.db2.gz KJZAMRFHZKEVPK-NWDGAFQWSA-N 1 0 238.375 2.365 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000068554609 172523453 /nfs/dbraw/zinc/52/34/53/172523453.db2.gz MRNYNMGWCKBLLH-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000283732391 172537576 /nfs/dbraw/zinc/53/75/76/172537576.db2.gz IAVGIZPDKZMFMT-RISCZKNCSA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)cc2)C1 ZINC000044537757 173040642 /nfs/dbraw/zinc/04/06/42/173040642.db2.gz LMLFSRVPOYGSNB-CYBMUJFWSA-N 1 0 229.327 2.312 20 30 BEEDRO C[N@@H+]1CCN(Cc2cccc(C#N)c2)C(C)(C)C1 ZINC000271071671 173087309 /nfs/dbraw/zinc/08/73/09/173087309.db2.gz VTYFLMINBMKNHM-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[NH2+]C(C)(C)CNc1nc(Cl)c(C#N)s1 ZINC000286176998 173319923 /nfs/dbraw/zinc/31/99/23/173319923.db2.gz KQRZKYNDNKYOFU-UHFFFAOYSA-N 1 0 244.751 2.078 20 30 BEEDRO COCCC1(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000151169740 174156828 /nfs/dbraw/zinc/15/68/28/174156828.db2.gz XNJARSBMTXJWCE-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000161028866 174218895 /nfs/dbraw/zinc/21/88/95/174218895.db2.gz QMXIWRMVGUFCOU-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000362931086 174219544 /nfs/dbraw/zinc/21/95/44/174219544.db2.gz ADAMDLBDFDRJGW-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO COCCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037232487 174250786 /nfs/dbraw/zinc/25/07/86/174250786.db2.gz PAKDPMKYURLWAO-LLVKDONJSA-N 1 0 218.300 2.245 20 30 BEEDRO COCC[N@H+](C)CC#Cc1ccc(Cl)cc1 ZINC000267398712 174275895 /nfs/dbraw/zinc/27/58/95/174275895.db2.gz OZVNLDKBGFOMMG-UHFFFAOYSA-N 1 0 237.730 2.270 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000135498630 174384080 /nfs/dbraw/zinc/38/40/80/174384080.db2.gz WXRZJXAARUOUNX-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824455 174384564 /nfs/dbraw/zinc/38/45/64/174384564.db2.gz YTLHAFWYNPNQTQ-LLVKDONJSA-N 1 0 248.326 2.081 20 30 BEEDRO COCC[C@@H]([NH2+]CCCC#N)c1ccco1 ZINC000273323877 174394217 /nfs/dbraw/zinc/39/42/17/174394217.db2.gz XKGNAWSLEKYVRS-LLVKDONJSA-N 1 0 222.288 2.251 20 30 BEEDRO COc1ccc(C[N@@H+](C)C[C@@H](C)OC)cc1C#N ZINC000306113079 175095355 /nfs/dbraw/zinc/09/53/55/175095355.db2.gz XVALQKKDUIYYIF-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO COc1ccc(C[NH2+]C2CCC2)cc1C#N ZINC000083730031 175105376 /nfs/dbraw/zinc/10/53/76/175105376.db2.gz RNSZYWARNWGCAG-UHFFFAOYSA-N 1 0 216.284 2.209 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353656790 175950509 /nfs/dbraw/zinc/95/05/09/175950509.db2.gz IGVFMEGOTFCBNK-IAQYHMDHSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000267162616 176012919 /nfs/dbraw/zinc/01/29/19/176012919.db2.gz QVMIZNDCNIQZJL-JSGCOSHPSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336422236 176016392 /nfs/dbraw/zinc/01/63/92/176016392.db2.gz WYFJUHLGBPDFOT-SMDDNHRTSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279901176 176016418 /nfs/dbraw/zinc/01/64/18/176016418.db2.gz VECWVYIIPCUGFP-SMDDNHRTSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293309775 176016496 /nfs/dbraw/zinc/01/64/96/176016496.db2.gz WZZHLWWEJYULLK-SWLSCSKDSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1CCOc1cccc(C#N)c1 ZINC000037910767 176109336 /nfs/dbraw/zinc/10/93/36/176109336.db2.gz MDOXBFQRHXJUDL-GFCCVEGCSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315232 176132150 /nfs/dbraw/zinc/13/21/50/176132150.db2.gz IXSUJTOOWXTBDE-MFKMUULPSA-N 1 0 217.316 2.175 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000328221006 176152823 /nfs/dbraw/zinc/15/28/23/176152823.db2.gz ZYODIXQJRXBTIT-DOMZBBRYSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000299891256 176168194 /nfs/dbraw/zinc/16/81/94/176168194.db2.gz LDQHGMZNNLHWDT-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)CCS1 ZINC000190690119 176173739 /nfs/dbraw/zinc/17/37/39/176173739.db2.gz NJAFYOJRKFDYAP-LLVKDONJSA-N 1 0 249.383 2.224 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@@H]1C ZINC000091860056 176174408 /nfs/dbraw/zinc/17/44/08/176174408.db2.gz CHMPRNVVSJHUMM-NXEZZACHSA-N 1 0 204.273 2.382 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000309105639 176233720 /nfs/dbraw/zinc/23/37/20/176233720.db2.gz HTRMQEIMRIBWMJ-BDAKNGLRSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC#N)CCC1(F)F ZINC000336373593 176288242 /nfs/dbraw/zinc/28/82/42/176288242.db2.gz ITZTYPKBZSJQCZ-SECBINFHSA-N 1 0 202.248 2.267 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCCO1 ZINC000061918352 176304215 /nfs/dbraw/zinc/30/42/15/176304215.db2.gz UJBVBOGSQTYVQQ-GFCCVEGCSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000277492853 176344498 /nfs/dbraw/zinc/34/44/98/176344498.db2.gz OVUCTCHYHJBIDY-QMTHXVAHSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000336227069 176353573 /nfs/dbraw/zinc/35/35/73/176353573.db2.gz DJDXZQVVURTDOV-KCJUWKMLSA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCO1 ZINC000219901701 176378070 /nfs/dbraw/zinc/37/80/70/176378070.db2.gz NCWZTJOIPHWENH-ZJUUUORDSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1cccc(C#N)c1 ZINC000309805522 176396885 /nfs/dbraw/zinc/39/68/85/176396885.db2.gz SBPQTAGVAGSKMC-BXUZGUMPSA-N 1 0 214.312 2.346 20 30 BEEDRO C[C@H](CCO)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000097439827 176632937 /nfs/dbraw/zinc/63/29/37/176632937.db2.gz CNLGCFPIYNZKET-VXGBXAGGSA-N 1 0 232.327 2.227 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271958936 176852017 /nfs/dbraw/zinc/85/20/17/176852017.db2.gz QRTRZTJGNUIVNW-ZJUUUORDSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCOC1 ZINC000162662045 176875100 /nfs/dbraw/zinc/87/51/00/176875100.db2.gz QBLLBXXLQZJNOU-JQWIXIFHSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000267363873 177032738 /nfs/dbraw/zinc/03/27/38/177032738.db2.gz QEXPIUHTDAACEU-BXUZGUMPSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCCOCC1 ZINC000334155191 177033421 /nfs/dbraw/zinc/03/34/21/177033421.db2.gz UNEMEKDOUXDVJL-GFCCVEGCSA-N 1 0 230.311 2.342 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1(CO)CC1 ZINC000190047981 177035339 /nfs/dbraw/zinc/03/53/39/177035339.db2.gz PDKKBDYZAGVQID-GFCCVEGCSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000336422230 177035620 /nfs/dbraw/zinc/03/56/20/177035620.db2.gz WYFJUHLGBPDFOT-BXUZGUMPSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(C#N)nc1 ZINC000267377629 177075166 /nfs/dbraw/zinc/07/51/66/177075166.db2.gz KXBVKYLGHBOLNB-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCOCCC#N ZINC000339107343 177081281 /nfs/dbraw/zinc/08/12/81/177081281.db2.gz FLFJUPUSRXQCPR-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1CCC[N@H+](Cc2ccccc2C#N)[C@@H]1CO ZINC000125197099 177101033 /nfs/dbraw/zinc/10/10/33/177101033.db2.gz RUCRVDWABNGGBG-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000336616198 177157568 /nfs/dbraw/zinc/15/75/68/177157568.db2.gz WUECAEZTSTXHDE-ZDUSSCGKSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1CCCC(C)(C)C#N ZINC000362233536 177177119 /nfs/dbraw/zinc/17/71/19/177177119.db2.gz FTHNKNJOUHYOCI-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335552831 177194740 /nfs/dbraw/zinc/19/47/40/177194740.db2.gz DZOCKMDKTUWVQI-GWCFXTLKSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@H]1C[N@H+](CC#Cc2ccccc2)CCCO1 ZINC000191986225 177242891 /nfs/dbraw/zinc/24/28/91/177242891.db2.gz BSKLBWXWXUQLLP-AWEZNQCLSA-N 1 0 229.323 2.149 20 30 BEEDRO C[C@H]1CN(c2ccc(C#N)c(Cl)c2)CC[NH2+]1 ZINC000061845590 177276609 /nfs/dbraw/zinc/27/66/09/177276609.db2.gz CZXKASDAWBCGAA-VIFPVBQESA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@H]1COCC[N@H+](CC#Cc2ccccc2)C1 ZINC000336487954 177288290 /nfs/dbraw/zinc/28/82/90/177288290.db2.gz 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ACUIPBIIAOUDIU-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1C[C@H](NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721808 177370568 /nfs/dbraw/zinc/37/05/68/177370568.db2.gz IEDMVCPJPGMGGU-SWLSCSKDSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CCC[NH2+]Cc1c(C)nn(CC)c1C ZINC000307970812 487645772 /nfs/dbraw/zinc/64/57/72/487645772.db2.gz PVSAREYOOCUZJB-UHFFFAOYSA-N 1 0 207.321 2.186 20 30 BEEDRO C[C@@]1(CO)CCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000492914180 226082935 /nfs/dbraw/zinc/08/29/35/226082935.db2.gz TWVQVYWULRHRQV-HOTGVXAUSA-N 1 0 243.350 2.179 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC(F)F)C1 ZINC000503949666 226336962 /nfs/dbraw/zinc/33/69/62/226336962.db2.gz SDRWNHDHWSERSB-LNFKQOIKSA-N 1 0 244.285 2.429 20 30 BEEDRO C=C(CC)CNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000456809318 487664774 /nfs/dbraw/zinc/66/47/74/487664774.db2.gz BHXAQIVLIAXMCL-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1cc(NCC[C@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308239195 229224605 /nfs/dbraw/zinc/22/46/05/229224605.db2.gz KDRQLBBPDGBWNZ-GFCCVEGCSA-N 1 0 244.342 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000308878238 229254438 /nfs/dbraw/zinc/25/44/38/229254438.db2.gz OJHFRBXYBHVGFI-LPTSXCQYSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404003638 229358349 /nfs/dbraw/zinc/35/83/49/229358349.db2.gz NRHRJYBMJKOVNJ-JOYOIKCWSA-N 1 0 218.275 2.443 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2=CCOCC2)cc1F ZINC000404043116 229363149 /nfs/dbraw/zinc/36/31/49/229363149.db2.gz IFTWDQHDMVCEDN-UHFFFAOYSA-N 1 0 246.285 2.134 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)Cc1ccno1 ZINC001172509951 974865423 /nfs/dbraw/zinc/86/54/23/974865423.db2.gz SXOYSSJUUZSUFY-JTQLQIEISA-N 1 0 207.277 2.189 20 30 BEEDRO C=CCN(Cc1cccs1)[C@@H](CC)C(N)=O ZINC000411136719 487692602 /nfs/dbraw/zinc/69/26/02/487692602.db2.gz NLDJOZWWSKURAW-NSHDSACASA-N 1 0 238.356 2.000 20 30 BEEDRO C=CCN(Cc1cccs1)[C@H](CC)C(N)=O ZINC000411136718 487692622 /nfs/dbraw/zinc/69/26/22/487692622.db2.gz NLDJOZWWSKURAW-LLVKDONJSA-N 1 0 238.356 2.000 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000308900317 487693004 /nfs/dbraw/zinc/69/30/04/487693004.db2.gz BEPZYWSQXWCFHW-UTUOFQBUSA-N 1 0 228.767 2.201 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OCC ZINC000527933702 262896575 /nfs/dbraw/zinc/89/65/75/262896575.db2.gz RUCNVCIHBZJMKQ-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO CC1(C)CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528367018 262919757 /nfs/dbraw/zinc/91/97/57/262919757.db2.gz HLZGOTFKXGCTBJ-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@H]1Cc2ccccc2C[N@@H+]1CC#CCOC ZINC000681032895 487703546 /nfs/dbraw/zinc/70/35/46/487703546.db2.gz WYYRMCGOFSBOOM-INIZCTEOSA-N 1 0 243.350 2.473 20 30 BEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000395126179 266430043 /nfs/dbraw/zinc/43/00/43/266430043.db2.gz OASOCVWDKHACFH-GJZGRUSLSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(F)c2)O1 ZINC000404152779 267029046 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/nfs/dbraw/zinc/80/00/33/487800033.db2.gz KJDYHIBCLJGKLV-ZFWWWQNUSA-N 1 0 246.354 2.116 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000668482464 487814884 /nfs/dbraw/zinc/81/48/84/487814884.db2.gz PEGUXILSLQPJDV-UHFFFAOYSA-N 1 0 202.301 2.236 20 30 BEEDRO C[C@H](N[C@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498479 487819803 /nfs/dbraw/zinc/81/98/03/487819803.db2.gz NMXFXTATHQIWQX-WFASDCNBSA-N 1 0 243.354 2.351 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681605426 487823231 /nfs/dbraw/zinc/82/32/31/487823231.db2.gz ZXFIUKZYJPSGIL-OLZOCXBDSA-N 1 0 234.347 2.270 20 30 BEEDRO C[C@@H]1[C@H](O)CCCN1Cc1cccc(C#N)c1F ZINC000335595628 487825575 /nfs/dbraw/zinc/82/55/75/487825575.db2.gz FNZGGAUAOKMZOB-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2OCC)C1 ZINC000651825230 487838181 /nfs/dbraw/zinc/83/81/81/487838181.db2.gz IWWZPQVICGIQJN-XJFOESAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OCC)cn1 ZINC000681696455 487841292 /nfs/dbraw/zinc/84/12/92/487841292.db2.gz AZEOXSGCPWHPIG-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341982228 487846401 /nfs/dbraw/zinc/84/64/01/487846401.db2.gz DIENIFDVFZQCJH-CQSZACIVSA-N 1 0 239.359 2.082 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000106209000 592703421 /nfs/dbraw/zinc/70/34/21/592703421.db2.gz PUIVSVBPCDYYPL-RYUDHWBXSA-N 1 0 228.380 2.446 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](Cc2cocn2)C1 ZINC000668493228 487850942 /nfs/dbraw/zinc/85/09/42/487850942.db2.gz LADKGCLQAPJQFH-NSHDSACASA-N 1 0 206.289 2.463 20 30 BEEDRO CCCCCCCC[N@H+](C)CCC(=O)NC ZINC000172654551 641094762 /nfs/dbraw/zinc/09/47/62/641094762.db2.gz NEXYEBOKFWPAPJ-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO CC[C@H]([NH2+]CC#CCOC)c1ccccc1 ZINC000309938942 487867637 /nfs/dbraw/zinc/86/76/37/487867637.db2.gz ATTBLJPFJOUAQQ-AWEZNQCLSA-N 1 0 217.312 2.377 20 30 BEEDRO Cc1ncncc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000569355394 322963392 /nfs/dbraw/zinc/96/33/92/322963392.db2.gz KOQRWXCLQZYSPW-SNVBAGLBSA-N 1 0 230.315 2.130 20 30 BEEDRO CC#CC[N@@H+]1Cc2ccccc2N(C)C[C@@H]1C ZINC000083248647 487886013 /nfs/dbraw/zinc/88/60/13/487886013.db2.gz JRDTWQYCSHRGHM-ZDUSSCGKSA-N 1 0 228.339 2.350 20 30 BEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCC(F)F ZINC000304742151 644928442 /nfs/dbraw/zinc/92/84/42/644928442.db2.gz ULNZIEGMTVOQIL-VIFPVBQESA-N 1 0 235.322 2.371 20 30 BEEDRO C#CC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000830351779 645121522 /nfs/dbraw/zinc/12/15/22/645121522.db2.gz WPPHQXZAYWSWES-UHFFFAOYSA-N 1 0 213.271 2.377 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000682041266 487888523 /nfs/dbraw/zinc/88/85/23/487888523.db2.gz XXMLNOWBMGWDJG-LLVKDONJSA-N 1 0 249.276 2.443 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000676717560 487905049 /nfs/dbraw/zinc/90/50/49/487905049.db2.gz WEKYMQVZFOVAMZ-GFCCVEGCSA-N 1 0 219.332 2.305 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccncc1C ZINC000582554559 487916484 /nfs/dbraw/zinc/91/64/84/487916484.db2.gz PLBBQTYSQGVGPI-CYBMUJFWSA-N 1 0 217.316 2.214 20 30 BEEDRO C[C@H]1CC([NH2+]Cc2ccc(C#N)o2)C[C@H](C)O1 ZINC000128917309 323007940 /nfs/dbraw/zinc/00/79/40/323007940.db2.gz IBCWQKVCUCNJIN-UWVGGRQHSA-N 1 0 234.299 2.197 20 30 BEEDRO C=CCCCN(C)C(=O)CCCC[NH+](C)C ZINC000561921080 323008630 /nfs/dbraw/zinc/00/86/30/323008630.db2.gz CVDXWZAMWQINTQ-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO CCC[C@@H]1C[N@H+](CCCCC#N)CCO1 ZINC000131566296 323013156 /nfs/dbraw/zinc/01/31/56/323013156.db2.gz HNOAUUCRPOEZQQ-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CC[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000562477510 323021521 /nfs/dbraw/zinc/02/15/21/323021521.db2.gz BTYUKMXNMZYHFJ-LBPRGKRZSA-N 1 0 219.332 2.032 20 30 BEEDRO CC(C)[N@H+](CCC#N)CC[C@@H]1CCOC1 ZINC000401004239 323025250 /nfs/dbraw/zinc/02/52/50/323025250.db2.gz OJYVJBMNBSPADC-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@H](CC#N)NCC[C@@H]1CCCC[N@@H+]1C ZINC000566982303 323030424 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ZINC000563007898 323079456 /nfs/dbraw/zinc/07/94/56/323079456.db2.gz OCBNYOYUHORCQO-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CC[N@H+](C)CCc1ncc(C)cc1C ZINC000563062309 323083652 /nfs/dbraw/zinc/08/36/52/323083652.db2.gz XNFCMYKEBDPWKE-UHFFFAOYSA-N 1 0 204.317 2.359 20 30 BEEDRO C=CCC[C@H]([NH2+]C1CCOCC1)C1CC1 ZINC000125293330 323106557 /nfs/dbraw/zinc/10/65/57/323106557.db2.gz UPEQHMFTCBTZMX-ZDUSSCGKSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc(O)c1 ZINC000531616751 323110492 /nfs/dbraw/zinc/11/04/92/323110492.db2.gz RCZZGWBVTZIPJI-CQSZACIVSA-N 1 0 235.327 2.151 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000563367030 323121539 /nfs/dbraw/zinc/12/15/39/323121539.db2.gz SYTRJYGTMLJBLM-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO CCn1cc(C[N@H+](C)[C@H](C)CCC#N)cn1 ZINC000571172959 323137533 /nfs/dbraw/zinc/13/75/33/323137533.db2.gz RKQLIDBDFABCOA-LLVKDONJSA-N 1 0 220.320 2.027 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000121225311 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323182721 /nfs/dbraw/zinc/18/27/21/323182721.db2.gz WAQYGXFJHTYDCP-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1ccoc1 ZINC000308976599 323183139 /nfs/dbraw/zinc/18/31/39/323183139.db2.gz GUZUERDUNLJILI-QWRGUYRKSA-N 1 0 209.289 2.115 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(Cl)o1 ZINC000320804870 323183866 /nfs/dbraw/zinc/18/38/66/323183866.db2.gz WHFXOYIOYIVYAJ-VIFPVBQESA-N 1 0 229.707 2.350 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399410628 323205940 /nfs/dbraw/zinc/20/59/40/323205940.db2.gz VYCPRTRYSFJCKW-NWDGAFQWSA-N 1 0 226.364 2.030 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)COc1ccccc1C ZINC000395471956 323226793 /nfs/dbraw/zinc/22/67/93/323226793.db2.gz INDDZZXGIXOKKV-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000309246226 323330900 /nfs/dbraw/zinc/33/09/00/323330900.db2.gz ZHZGEZDVABCEGT-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000563975542 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324318003 /nfs/dbraw/zinc/31/80/03/324318003.db2.gz KOCHGRIJEACVOT-JGVFFNPUSA-N 1 0 202.248 2.169 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)COc1ccc(C)cc1 ZINC000682434964 487962921 /nfs/dbraw/zinc/96/29/21/487962921.db2.gz FZYNZTSYKCSBHY-AWEZNQCLSA-N 1 0 249.354 2.243 20 30 BEEDRO N#CCC[NH2+][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000530243815 324554624 /nfs/dbraw/zinc/55/46/24/324554624.db2.gz KWAHQROZODUPKN-CYZMBNFOSA-N 1 0 232.714 2.481 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1CCOCC1 ZINC000126738069 324712843 /nfs/dbraw/zinc/71/28/43/324712843.db2.gz IGYLELDPBJYETN-UHFFFAOYSA-N 1 0 224.348 2.333 20 30 BEEDRO COC(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000127143061 324749960 /nfs/dbraw/zinc/74/99/60/324749960.db2.gz UBAAVPPXQJFRAR-UHFFFAOYSA-N 1 0 212.337 2.331 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000131621052 325170913 /nfs/dbraw/zinc/17/09/13/325170913.db2.gz RLIYDMVFGDGVOM-LLVKDONJSA-N 1 0 205.305 2.138 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000545397074 325219650 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326040544 /nfs/dbraw/zinc/04/05/44/326040544.db2.gz AUBQHVXYDVCMPR-UHFFFAOYSA-N 1 0 243.310 2.168 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCC2(CCCCC2)O1 ZINC000566792673 326083324 /nfs/dbraw/zinc/08/33/24/326083324.db2.gz LGVGZFNCZLVBRG-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000153678588 326106959 /nfs/dbraw/zinc/10/69/59/326106959.db2.gz MUAWXIRESOYMCT-OAHLLOKOSA-N 1 0 242.322 2.171 20 30 BEEDRO N#CCCN[C@@H]1COc2ccc(Cl)cc21 ZINC000567104624 326116632 /nfs/dbraw/zinc/11/66/32/326116632.db2.gz WVRHXFRHUDDSCR-SNVBAGLBSA-N 1 0 222.675 2.277 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000567190421 326132628 /nfs/dbraw/zinc/13/26/28/326132628.db2.gz CRZDFNXDQNDJRT-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CC[N@@H+](CCOCC(F)(F)F)C1CCCC1 ZINC000155924041 326214724 /nfs/dbraw/zinc/21/47/24/326214724.db2.gz YSSNAOCIULDTET-UHFFFAOYSA-N 1 0 249.276 2.443 20 30 BEEDRO C[C@@H]1OCCN(Cc2ccc(C#N)cc2F)[C@H]1C ZINC000156026636 326216962 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/nfs/dbraw/zinc/36/12/57/326361257.db2.gz REJCKOFAJHSNAL-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO N#Cc1cnc(C[NH2+]C2(C3CCC3)CCC2)nc1 ZINC000572858329 326415560 /nfs/dbraw/zinc/41/55/60/326415560.db2.gz CONBDUVSCHCWLX-UHFFFAOYSA-N 1 0 242.326 2.161 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc(Cl)cc1 ZINC000677133305 487980687 /nfs/dbraw/zinc/98/06/87/487980687.db2.gz QWAKDWBDOOIWJF-UHFFFAOYSA-N 1 0 237.730 2.422 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1CC(=O)NCC ZINC000560183211 488020113 /nfs/dbraw/zinc/02/01/13/488020113.db2.gz LBFYMRGPOXHKFJ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000491666281 488036628 /nfs/dbraw/zinc/03/66/28/488036628.db2.gz VPXQESDBZXFGTG-LLVKDONJSA-N 1 0 232.283 2.357 20 30 BEEDRO C=CC[N@@H+](Cc1cc(OC)no1)C(C)(C)C ZINC000661758631 488037274 /nfs/dbraw/zinc/03/72/74/488037274.db2.gz ULKOJMYDSJHUKM-UHFFFAOYSA-N 1 0 224.304 2.470 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cnn(C)c1 ZINC000236072174 488040995 /nfs/dbraw/zinc/04/09/95/488040995.db2.gz HEXZQXUCZZGAHO-UHFFFAOYSA-N 1 0 207.321 2.256 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000677479056 488047952 /nfs/dbraw/zinc/04/79/52/488047952.db2.gz IWKMVSXWFMFQBB-GFCCVEGCSA-N 1 0 231.343 2.391 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677477956 488048150 /nfs/dbraw/zinc/04/81/50/488048150.db2.gz GMAHCYJNQXLCSB-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000677479536 488050217 /nfs/dbraw/zinc/05/02/17/488050217.db2.gz OPMQDLLYQCOZDH-HUUCEWRRSA-N 1 0 246.354 2.110 20 30 BEEDRO C=CCCCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661829355 488056199 /nfs/dbraw/zinc/05/61/99/488056199.db2.gz YQGXFPAGRVMVAZ-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](O)CCOCC)CCCC1 ZINC000661850746 488062956 /nfs/dbraw/zinc/06/29/56/488062956.db2.gz NWHDTWGZGXKLQT-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000677477206 488102737 /nfs/dbraw/zinc/10/27/37/488102737.db2.gz ACQSLOGCSZEHAL-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732874 488111136 /nfs/dbraw/zinc/11/11/36/488111136.db2.gz LEPOMQXPHJLSJS-SNVBAGLBSA-N 1 0 231.286 2.045 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CC2(C1)CC(F)(F)C2 ZINC000677732872 488111693 /nfs/dbraw/zinc/11/16/93/488111693.db2.gz LEPOMQXPHJLSJS-JTQLQIEISA-N 1 0 231.286 2.045 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)C[C@H](C#N)CCC#N ZINC000112560521 488119344 /nfs/dbraw/zinc/11/93/44/488119344.db2.gz MHODGHMDAUZIGC-NEPJUHHUSA-N 1 0 207.321 2.408 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000677817717 488131430 /nfs/dbraw/zinc/13/14/30/488131430.db2.gz AJRBCRCHWBTRGO-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000668248392 487551007 /nfs/dbraw/zinc/55/10/07/487551007.db2.gz MCSUDXCFOXGAOS-HTOAHKCRSA-N 1 0 221.344 2.356 20 30 BEEDRO C=CCC[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000684966691 487476539 /nfs/dbraw/zinc/47/65/39/487476539.db2.gz LZRKLLVZXQOMLV-UHFFFAOYSA-N 1 0 246.354 2.086 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000231799920 487475571 /nfs/dbraw/zinc/47/55/71/487475571.db2.gz CFJVVULFCHYERE-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000231798692 487475657 /nfs/dbraw/zinc/47/56/57/487475657.db2.gz XHMVPTOHXKFLPP-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000231798690 487475847 /nfs/dbraw/zinc/47/58/47/487475847.db2.gz XHMVPTOHXKFLPP-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161269661 487487176 /nfs/dbraw/zinc/48/71/76/487487176.db2.gz XGHCVZZCZCHDRF-OLZOCXBDSA-N 1 0 236.359 2.141 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161269529 487487225 /nfs/dbraw/zinc/48/72/25/487487225.db2.gz XGHCVZZCZCHDRF-CHWSQXEVSA-N 1 0 236.359 2.141 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cnccc1C ZINC000679943504 487499838 /nfs/dbraw/zinc/49/98/38/487499838.db2.gz WKDNQDHYWBHKSZ-CHWSQXEVSA-N 1 0 234.343 2.368 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccccc1F ZINC000265977604 487500334 /nfs/dbraw/zinc/50/03/34/487500334.db2.gz CNPVBOQXZIILOT-UHFFFAOYSA-N 1 0 205.276 2.323 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(COC)cc1)C1CC1 ZINC000274049156 487507487 /nfs/dbraw/zinc/50/74/87/487507487.db2.gz BVMOWEQQHFZALF-UHFFFAOYSA-N 1 0 229.323 2.431 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000168526397 487515102 /nfs/dbraw/zinc/51/51/02/487515102.db2.gz HLLLZNSNRWTBIJ-UHFFFAOYSA-N 1 0 218.300 2.311 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ncccc1O ZINC000685407796 487516569 /nfs/dbraw/zinc/51/65/69/487516569.db2.gz JBTDHUDYOIGDHU-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@](C)(O)COC ZINC000657876959 488158662 /nfs/dbraw/zinc/15/86/62/488158662.db2.gz HOORGVGKAJFHPS-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000683224207 488134192 /nfs/dbraw/zinc/13/41/92/488134192.db2.gz FCAILGRZFHPLMA-YPMHNXCESA-N 1 0 229.323 2.251 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)n1C ZINC000657862884 488155122 /nfs/dbraw/zinc/15/51/22/488155122.db2.gz RLICGFWUCAZJFD-QWHCGFSZSA-N 1 0 248.374 2.348 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](CC)Cc1ccccc1 ZINC000677951187 488164356 /nfs/dbraw/zinc/16/43/56/488164356.db2.gz HZLZMCLBWWPVML-AWEZNQCLSA-N 1 0 219.328 2.446 20 30 BEEDRO C[C@@H]1CC[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000334173915 488177911 /nfs/dbraw/zinc/17/79/11/488177911.db2.gz AGOBXHFCJBXWEQ-CYBMUJFWSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000380238205 488181405 /nfs/dbraw/zinc/18/14/05/488181405.db2.gz MUHXXGKOUWFJQI-YNEHKIRRSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000683524944 488185397 /nfs/dbraw/zinc/18/53/97/488185397.db2.gz LKSPIONXTZCFHU-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2ccsc2C1 ZINC000678049652 488186701 /nfs/dbraw/zinc/18/67/01/488186701.db2.gz OBOMTTVPNJNUJJ-NSHDSACASA-N 1 0 223.341 2.043 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000668077944 488198544 /nfs/dbraw/zinc/19/85/44/488198544.db2.gz AWJZRFOXHHOHQR-ZDUSSCGKSA-N 1 0 231.343 2.370 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000668077943 488198966 /nfs/dbraw/zinc/19/89/66/488198966.db2.gz AWJZRFOXHHOHQR-CYBMUJFWSA-N 1 0 231.343 2.370 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678219386 488219632 /nfs/dbraw/zinc/21/96/32/488219632.db2.gz BWLUZQBGLGELTH-GJZGRUSLSA-N 1 0 234.387 2.206 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000672553486 488259736 /nfs/dbraw/zinc/25/97/36/488259736.db2.gz NVQDOBSCZUMNIZ-DZGCQCFKSA-N 1 0 244.338 2.114 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000684212421 488278447 /nfs/dbraw/zinc/27/84/47/488278447.db2.gz GQMZZIZBHIRUPT-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO CCOc1cccc([C@H](C)[NH2+]CC#CCOC)c1 ZINC000678756350 488280570 /nfs/dbraw/zinc/28/05/70/488280570.db2.gz DCYFJMORCDBHST-ZDUSSCGKSA-N 1 0 247.338 2.386 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCn1cncn1)C1CC1 ZINC000679033961 488304244 /nfs/dbraw/zinc/30/42/44/488304244.db2.gz QYDGQPTWSBVMFH-ZDUSSCGKSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1c(F)cccc1CC ZINC000684395401 488305094 /nfs/dbraw/zinc/30/50/94/488305094.db2.gz BGKAAGAMXJRNNZ-GFCCVEGCSA-N 1 0 237.318 2.415 20 30 BEEDRO C=CCOCC[NH2+]CCCc1ccc(C)nc1 ZINC000684394081 488305128 /nfs/dbraw/zinc/30/51/28/488305128.db2.gz WSBAYFBPVBDNGM-UHFFFAOYSA-N 1 0 234.343 2.115 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1c[nH]nc1C ZINC000684773925 488341487 /nfs/dbraw/zinc/34/14/87/488341487.db2.gz LUGIYYFTPRRRDF-QKCSRTOESA-N 1 0 249.358 2.350 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1c[nH]nc1C ZINC000684773920 488341533 /nfs/dbraw/zinc/34/15/33/488341533.db2.gz LUGIYYFTPRRRDF-JKOKRWQUSA-N 1 0 249.358 2.350 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)Cc1cn[nH]c1 ZINC000679365061 488347134 /nfs/dbraw/zinc/34/71/34/488347134.db2.gz YBVBHUMSTASQQM-UHFFFAOYSA-N 1 0 231.299 2.233 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000679486484 488354454 /nfs/dbraw/zinc/35/44/54/488354454.db2.gz OAKUSHIFGNECHB-AWEZNQCLSA-N 1 0 246.354 2.058 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000679542115 488357321 /nfs/dbraw/zinc/35/73/21/488357321.db2.gz NKNWCKFKFKRKEY-MNOVXSKESA-N 1 0 249.276 2.299 20 30 BEEDRO C=CC[N@H+](Cc1cccs1)C[C@@H](C)CO ZINC000120497615 490062865 /nfs/dbraw/zinc/06/28/65/490062865.db2.gz KQOBZFNJINSRLQ-LLVKDONJSA-N 1 0 225.357 2.365 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](C)CO ZINC000120523226 490063306 /nfs/dbraw/zinc/06/33/06/490063306.db2.gz JELCPRRZEWAOFG-ZDUSSCGKSA-N 1 0 219.328 2.303 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1nccn1C ZINC000167249809 490091947 /nfs/dbraw/zinc/09/19/47/490091947.db2.gz UTAHFXDBXVMEHR-QWRGUYRKSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ncn(C)n2)C1 ZINC000651779012 490138545 /nfs/dbraw/zinc/13/85/45/490138545.db2.gz RIUWSFJDMGNXEZ-IJLUTSLNSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000651813066 490143554 /nfs/dbraw/zinc/14/35/54/490143554.db2.gz VQMOKEGWTYLVDJ-QWHCGFSZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000651813065 490144039 /nfs/dbraw/zinc/14/40/39/490144039.db2.gz VQMOKEGWTYLVDJ-OLZOCXBDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)cc1F ZINC000303551055 490167324 /nfs/dbraw/zinc/16/73/24/490167324.db2.gz QKHJGKHKIBUBLF-UHFFFAOYSA-N 1 0 227.254 2.257 20 30 BEEDRO C[C@@H]1CN(Cc2ccccc2C#N)[C@@H](C)C[N@@H+]1C ZINC000334175098 490243898 /nfs/dbraw/zinc/24/38/98/490243898.db2.gz CEKGMKBSIPNCFZ-OLZOCXBDSA-N 1 0 243.354 2.083 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000677047867 490324739 /nfs/dbraw/zinc/32/47/39/490324739.db2.gz IIUYNTVDKSOHMN-KGLIPLIRSA-N 1 0 245.370 2.086 20 30 BEEDRO C[C@]1(O)CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000124153524 490347381 /nfs/dbraw/zinc/34/73/81/490347381.db2.gz BBYBHAPRJVRVOV-HNNXBMFYSA-N 1 0 247.313 2.024 20 30 BEEDRO COCC[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000229748673 490393389 /nfs/dbraw/zinc/39/33/89/490393389.db2.gz UKJAIFSPHMGODT-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCOCC[NH+]1CCC(CCC#N)CC1 ZINC000399244168 490407226 /nfs/dbraw/zinc/40/72/26/490407226.db2.gz APYFVUOSBUQQFI-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000491641451 491079866 /nfs/dbraw/zinc/07/98/66/491079866.db2.gz QYNNLJSCSZOFFO-NSHDSACASA-N 1 0 233.311 2.157 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1CCC(O)CC1 ZINC000227616048 491094234 /nfs/dbraw/zinc/09/42/34/491094234.db2.gz FKAJHWXFJPHZBC-HIFPTAJRSA-N 1 0 211.349 2.482 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccnc2C#N)C1 ZINC000357505274 491099214 /nfs/dbraw/zinc/09/92/14/491099214.db2.gz AWBGTHKBIOWQAC-VXGBXAGGSA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccnc2C#N)C1 ZINC000357505272 491099227 /nfs/dbraw/zinc/09/92/27/491099227.db2.gz AWBGTHKBIOWQAC-NWDGAFQWSA-N 1 0 244.342 2.238 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OC)c1F ZINC000229206679 491109293 /nfs/dbraw/zinc/10/92/93/491109293.db2.gz DTHNETUWHQIPNM-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO Cn1cc(C[NH+]2CCC(CC#N)CC2)cc1C#N ZINC000335291563 491122485 /nfs/dbraw/zinc/12/24/85/491122485.db2.gz FGKWFYAKXQTILA-UHFFFAOYSA-N 1 0 242.326 2.022 20 30 BEEDRO Cc1ncsc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449468178 491128337 /nfs/dbraw/zinc/12/83/37/491128337.db2.gz OHWRXRUSCLTZRH-GHMZBOCLSA-N 1 0 235.356 2.276 20 30 BEEDRO COCC#CC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000309672837 491153713 /nfs/dbraw/zinc/15/37/13/491153713.db2.gz WSBSMSSFOKBTFK-SNVBAGLBSA-N 1 0 237.265 2.203 20 30 BEEDRO C=CCOCC[NH2+]C1CC(OC(C)(C)C)C1 ZINC000309700194 491154712 /nfs/dbraw/zinc/15/47/12/491154712.db2.gz SNPHCLRKUTYKJM-UHFFFAOYSA-N 1 0 227.348 2.125 20 30 BEEDRO Cc1cc(C[NH2+][C@H](CO)C(C)(C)C)ccc1C#N ZINC000488247564 533734829 /nfs/dbraw/zinc/73/48/29/533734829.db2.gz GOBGQQBJMHDMKT-CQSZACIVSA-N 1 0 246.354 2.363 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)c2cn[nH]c2)ccc1C#N ZINC000488319327 533732076 /nfs/dbraw/zinc/73/20/76/533732076.db2.gz WDKIYGXPUPMKTG-LLVKDONJSA-N 1 0 240.310 2.441 20 30 BEEDRO C=CC(C)(C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000891266565 582645360 /nfs/dbraw/zinc/64/53/60/582645360.db2.gz QKHZVHWOOQMKCN-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO CCOC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C(C)C ZINC000348445176 535669463 /nfs/dbraw/zinc/66/94/63/535669463.db2.gz RDWGWSNLQCVPKB-CHWSQXEVSA-N 1 0 237.347 2.081 20 30 BEEDRO CC[C@@H](COC)[NH2+]CC1CCC(C#N)CC1 ZINC000309701461 535760740 /nfs/dbraw/zinc/76/07/40/535760740.db2.gz MRZJYVWBMJRWQC-BPCQOVAHSA-N 1 0 224.348 2.331 20 30 BEEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CCCO1 ZINC000891582653 582699417 /nfs/dbraw/zinc/69/94/17/582699417.db2.gz UKQNCJJHFSWSLM-LLVKDONJSA-N 1 0 236.340 2.231 20 30 BEEDRO Cc1cc(C[N@@H+](C[C@@H](C)O)C(C)C)ccc1C#N ZINC000487877576 534171560 /nfs/dbraw/zinc/17/15/60/534171560.db2.gz OIKMCFYKQOFXGY-CYBMUJFWSA-N 1 0 246.354 2.458 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccsc1C ZINC000293251716 534316988 /nfs/dbraw/zinc/31/69/88/534316988.db2.gz MCCLMBFTFPJUDL-NSHDSACASA-N 1 0 211.330 2.083 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1sccc1C ZINC000184285615 534318165 /nfs/dbraw/zinc/31/81/65/534318165.db2.gz JVIUHVWNOKUWHL-JTQLQIEISA-N 1 0 211.330 2.083 20 30 BEEDRO C[N@@H+](CCC#N)CCCCOC(C)(C)C ZINC000354852572 536299293 /nfs/dbraw/zinc/29/92/93/536299293.db2.gz JRKMSJHAZATNBA-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000308565633 534351172 /nfs/dbraw/zinc/35/11/72/534351172.db2.gz HNBGIAADQCTTOQ-QMMMGPOBSA-N 1 0 207.302 2.069 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCCOC1 ZINC000087595669 536314395 /nfs/dbraw/zinc/31/43/95/536314395.db2.gz FOBQYOMOUROCKK-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000280632695 534369117 /nfs/dbraw/zinc/36/91/17/534369117.db2.gz MIJXOUIDKIHQGV-SMDDNHRTSA-N 1 0 246.310 2.222 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000351251422 534371517 /nfs/dbraw/zinc/37/15/17/534371517.db2.gz LNFWFPBDBPVGNN-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn(C)nc1C ZINC000281122805 534377769 /nfs/dbraw/zinc/37/77/69/534377769.db2.gz AMSOUNRJCRPETA-LBPRGKRZSA-N 1 0 207.321 2.173 20 30 BEEDRO C=C(CC)C[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000358490937 534381672 /nfs/dbraw/zinc/38/16/72/534381672.db2.gz MYNPFGDBDQSAGE-GFCCVEGCSA-N 1 0 237.343 2.228 20 30 BEEDRO C=C(CC)C[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000358514375 534387464 /nfs/dbraw/zinc/38/74/64/534387464.db2.gz WLBQMQCLJRBDCS-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)N(CC)C[C@@H]1C ZINC000358821658 534399602 /nfs/dbraw/zinc/39/96/02/534399602.db2.gz WLOJSZBDGMYLHH-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(F)cc1C ZINC000341283208 534397249 /nfs/dbraw/zinc/39/72/49/534397249.db2.gz WWZCGXREIWMPIA-LBPRGKRZSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000336737455 534400713 /nfs/dbraw/zinc/40/07/13/534400713.db2.gz JKFIUVMKLIOGCK-ONGXEEELSA-N 1 0 240.372 2.287 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000335700052 534402559 /nfs/dbraw/zinc/40/25/59/534402559.db2.gz SKHHMIWYBVQDMI-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309592488 534403109 /nfs/dbraw/zinc/40/31/09/534403109.db2.gz SSCSQNXUHCDNGI-YUTCNCBUSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000348205381 534403419 /nfs/dbraw/zinc/40/34/19/534403419.db2.gz KBOKCBVTELAHAW-YPMHNXCESA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CO)c1ccccc1 ZINC000085058516 534419161 /nfs/dbraw/zinc/41/91/61/534419161.db2.gz WEYNZRIAKOVVJL-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000892145634 582800570 /nfs/dbraw/zinc/80/05/70/582800570.db2.gz ZYAOPJCZNUDSLU-WDEREUQCSA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(Cl)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367856963 534440038 /nfs/dbraw/zinc/44/00/38/534440038.db2.gz MVDZTHLBMLOGDJ-NEPJUHHUSA-N 1 0 228.767 2.298 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374395086 534440659 /nfs/dbraw/zinc/44/06/59/534440659.db2.gz RXOSEQXDEJRNKK-MNOVXSKESA-N 1 0 215.724 2.097 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374395089 534440834 /nfs/dbraw/zinc/44/08/34/534440834.db2.gz RXOSEQXDEJRNKK-WDEREUQCSA-N 1 0 215.724 2.097 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000367459879 534436103 /nfs/dbraw/zinc/43/61/03/534436103.db2.gz WTPZHVIWYZPTHE-WDEREUQCSA-N 1 0 215.724 2.382 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366422151 534436838 /nfs/dbraw/zinc/43/68/38/534436838.db2.gz RYICWDGXLPRGLE-GFCCVEGCSA-N 1 0 229.751 2.487 20 30 BEEDRO C=C(Cl)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000372991648 534438330 /nfs/dbraw/zinc/43/83/30/534438330.db2.gz SYGDLMIJEUGTFQ-NSHDSACASA-N 1 0 216.756 2.155 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])NC1CCCCC1 ZINC000128921380 534441788 /nfs/dbraw/zinc/44/17/88/534441788.db2.gz NHPFBCHHQGMEQC-UHFFFAOYSA-N 1 0 215.728 2.186 20 30 BEEDRO C=C1CC[NH+](CCCSCC#N)CC1 ZINC000266740678 534466034 /nfs/dbraw/zinc/46/60/34/534466034.db2.gz NZFXURZIPREQKE-UHFFFAOYSA-N 1 0 210.346 2.285 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000362897234 534503155 /nfs/dbraw/zinc/50/31/55/534503155.db2.gz UVVPHTOMMBJQED-LLVKDONJSA-N 1 0 232.327 2.053 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000263132667 534503761 /nfs/dbraw/zinc/50/37/61/534503761.db2.gz NFVUMWCRILAYQM-NSHDSACASA-N 1 0 223.364 2.245 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000340696363 534534386 /nfs/dbraw/zinc/53/43/86/534534386.db2.gz MLJKQIIJPGALFC-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(Cl)s1 ZINC000289763508 534539049 /nfs/dbraw/zinc/53/90/49/534539049.db2.gz IGENOKUTRBDZMA-ZETCQYMHSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000336731125 534539389 /nfs/dbraw/zinc/53/93/89/534539389.db2.gz KNFIYAURIJXTSW-NSHDSACASA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000289690646 534541708 /nfs/dbraw/zinc/54/17/08/534541708.db2.gz ICBHVBFVVMEZQG-ONGXEEELSA-N 1 0 209.289 2.094 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000308878537 534542607 /nfs/dbraw/zinc/54/26/07/534542607.db2.gz SVHDHVKCJDOGCF-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccnc(OC)n1 ZINC000296198488 534552768 /nfs/dbraw/zinc/55/27/68/534552768.db2.gz YZYRLOUPNVYDAG-UHFFFAOYSA-N 1 0 235.331 2.177 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000368724251 534569169 /nfs/dbraw/zinc/56/91/69/534569169.db2.gz ZFSPIWMFRCWWAK-CYBMUJFWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000366472421 534570824 /nfs/dbraw/zinc/57/08/24/534570824.db2.gz LQVJQHSMZFMFRU-ZDUSSCGKSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000368724252 534571036 /nfs/dbraw/zinc/57/10/36/534571036.db2.gz ZFSPIWMFRCWWAK-ZDUSSCGKSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000356285348 534602546 /nfs/dbraw/zinc/60/25/46/534602546.db2.gz QNMYVOFHWTWPJN-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000173814872 534607644 /nfs/dbraw/zinc/60/76/44/534607644.db2.gz HJPDGJNHKGHUEI-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000102216680 534615987 /nfs/dbraw/zinc/61/59/87/534615987.db2.gz LZFJYYRKRLDGEM-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000338676053 534616815 /nfs/dbraw/zinc/61/68/15/534616815.db2.gz PTUIBJZJDKVGFM-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N(CC)CCC[NH+](C)C ZINC000338896193 534648649 /nfs/dbraw/zinc/64/86/49/534648649.db2.gz UIQVMJUZDWXVOV-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCCCC(=O)NC[C@H](C)[NH+](CC)CC ZINC000175277839 534660065 /nfs/dbraw/zinc/66/00/65/534660065.db2.gz JQYNBBHNONYGLA-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCCC1CC(F)(F)C1 ZINC000263178914 534661548 /nfs/dbraw/zinc/66/15/48/534661548.db2.gz TYJLNCMHNZYNJR-UHFFFAOYSA-N 1 0 233.306 2.125 20 30 BEEDRO C=CCCCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000360122178 534659213 /nfs/dbraw/zinc/65/92/13/534659213.db2.gz KNVZHZBGQZMDOT-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000175622090 534659586 /nfs/dbraw/zinc/65/95/86/534659586.db2.gz RTTMMJQMMINMLL-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000119344356 534666566 /nfs/dbraw/zinc/66/65/66/534666566.db2.gz WUYANXLJLAWFLD-LBPRGKRZSA-N 1 0 231.343 2.215 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000358294312 534667348 /nfs/dbraw/zinc/66/73/48/534667348.db2.gz JLSLYSKSBNMYCP-RYUDHWBXSA-N 1 0 242.326 2.492 20 30 BEEDRO C=CCCCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000354287925 534679617 /nfs/dbraw/zinc/67/96/17/534679617.db2.gz WPGSTVITCHGLJL-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccccc1OC ZINC000353566582 534682700 /nfs/dbraw/zinc/68/27/00/534682700.db2.gz MKCWCUPXLRHWEV-YPMHNXCESA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)Cc1ccccc1C ZINC000289700776 534683072 /nfs/dbraw/zinc/68/30/72/534683072.db2.gz DNOWLSADAWDCOG-GXTWGEPZSA-N 1 0 219.328 2.063 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000353569354 534683536 /nfs/dbraw/zinc/68/35/36/534683536.db2.gz BZUBRDFGWDXXEG-NWANDNLSSA-N 1 0 246.354 2.244 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCCC(F)(F)F ZINC000308878535 534683972 /nfs/dbraw/zinc/68/39/72/534683972.db2.gz SVHDHVKCJDOGCF-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000353569353 534684926 /nfs/dbraw/zinc/68/49/26/534684926.db2.gz BZUBRDFGWDXXEG-CFVMTHIKSA-N 1 0 246.354 2.244 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(C(C)C)nn1 ZINC000290201678 534690037 /nfs/dbraw/zinc/69/00/37/534690037.db2.gz UTDRYSDJDRKAII-UHFFFAOYSA-N 1 0 222.336 2.305 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1C[C@H]1CCCOC1 ZINC000335389569 534696017 /nfs/dbraw/zinc/69/60/17/534696017.db2.gz SEFGHLPLEUVTRR-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000352041016 534700454 /nfs/dbraw/zinc/70/04/54/534700454.db2.gz WUSBDRUXXRIEGB-CQSZACIVSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@](C)(O)C(F)(F)F ZINC000337132731 534705756 /nfs/dbraw/zinc/70/57/56/534705756.db2.gz AMTGQXFDIBJMPC-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc2c(c1)nnn2C ZINC000353736136 534708216 /nfs/dbraw/zinc/70/82/16/534708216.db2.gz FWVAYWQZHDLPAX-UHFFFAOYSA-N 1 0 244.342 2.366 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)N(C)C(C)C ZINC000177685349 534711679 /nfs/dbraw/zinc/71/16/79/534711679.db2.gz RLOUCHKRVJXILM-LBPRGKRZSA-N 1 0 226.364 2.140 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348919044 534711791 /nfs/dbraw/zinc/71/17/91/534711791.db2.gz BDIPRUIGNOBSBY-NSHDSACASA-N 1 0 207.321 2.379 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000366356462 534718357 /nfs/dbraw/zinc/71/83/57/534718357.db2.gz QTEWAFULVHVKFI-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(=O)OC ZINC000248888366 534722364 /nfs/dbraw/zinc/72/23/64/534722364.db2.gz YERPFRJEJIBGPL-XQQFMLRXSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000249112565 534718975 /nfs/dbraw/zinc/71/89/75/534718975.db2.gz RLJDBLZPUIFZRZ-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)OC ZINC000248888367 534722549 /nfs/dbraw/zinc/72/25/49/534722549.db2.gz YERPFRJEJIBGPL-YNEHKIRRSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000369407135 534722896 /nfs/dbraw/zinc/72/28/96/534722896.db2.gz LNGJHQCAUKYIEG-MJBXVCDLSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000373401306 534723103 /nfs/dbraw/zinc/72/31/03/534723103.db2.gz WUYQVXUYHKSBOX-YPMHNXCESA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000303991685 534733186 /nfs/dbraw/zinc/73/31/86/534733186.db2.gz YRUGUCWEZIXDON-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000282646147 534734757 /nfs/dbraw/zinc/73/47/57/534734757.db2.gz CCJJZICSRPXLLT-MNOVXSKESA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCCC[NH2+][C@H](c1nncn1C)C(C)C ZINC000285256933 534736321 /nfs/dbraw/zinc/73/63/21/534736321.db2.gz CTOFAJFUULFQIQ-NSHDSACASA-N 1 0 222.336 2.068 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000346201431 534755456 /nfs/dbraw/zinc/75/54/56/534755456.db2.gz RYWHLXQGVPAPGE-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000362091214 534757705 /nfs/dbraw/zinc/75/77/05/534757705.db2.gz SHANCRXLKJLZHA-AGIUHOORSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000338360996 534767964 /nfs/dbraw/zinc/76/79/64/534767964.db2.gz KVTLLKVMLQNDIF-ZDUSSCGKSA-N 1 0 227.348 2.428 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)C1CCCCC1 ZINC000355275743 534767366 /nfs/dbraw/zinc/76/73/66/534767366.db2.gz GUPBXESQAIQMCB-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1ccncc1F ZINC000340518891 534777648 /nfs/dbraw/zinc/77/76/48/534777648.db2.gz JPXXZGWZEOCLNZ-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294292155 534779815 /nfs/dbraw/zinc/77/98/15/534779815.db2.gz ZHJDGCVLAREDNP-NEPJUHHUSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000225605982 534780107 /nfs/dbraw/zinc/78/01/07/534780107.db2.gz HIBVDBDJNPFKAF-KBPBESRZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000294292157 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/nfs/dbraw/zinc/85/47/28/534854728.db2.gz WZGMBKUVVYZKKW-UHFFFAOYSA-N 1 0 215.296 2.425 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000348029546 534874024 /nfs/dbraw/zinc/87/40/24/534874024.db2.gz FQNIPOFONKKYLD-OAHLLOKOSA-N 1 0 249.354 2.245 20 30 BEEDRO C=CCOCCC[N@@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351651758 534874640 /nfs/dbraw/zinc/87/46/40/534874640.db2.gz RGHRCZXWXZQBLG-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCC[N@@H+]([C@@H](C)C1CC1)C1CC1 ZINC000338908655 534877247 /nfs/dbraw/zinc/87/72/47/534877247.db2.gz UJOPPKNUFOTEKX-NSHDSACASA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCOCC[N@H+](Cc1ccncc1)C1CC1 ZINC000293908210 534877507 /nfs/dbraw/zinc/87/75/07/534877507.db2.gz WRBGFXGMCPHXRQ-UHFFFAOYSA-N 1 0 232.327 2.249 20 30 BEEDRO C=CCOCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000339140021 534878946 /nfs/dbraw/zinc/87/89/46/534878946.db2.gz JQJHKBLTONMKKR-VHSXEESVSA-N 1 0 237.265 2.462 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@H]1CCC[C@@H]1C ZINC000487958600 526362771 /nfs/dbraw/zinc/36/27/71/526362771.db2.gz JJASKNHRNWAYCY-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494254676 526543940 /nfs/dbraw/zinc/54/39/40/526543940.db2.gz TYTLPZQEPQKFGD-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc2c(c1)nnn2C ZINC000505859502 526546829 /nfs/dbraw/zinc/54/68/29/526546829.db2.gz XKXUQFWTJLXDCL-UHFFFAOYSA-N 1 0 244.342 2.366 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000309086195 526627183 /nfs/dbraw/zinc/62/71/83/526627183.db2.gz YATVKQZWJYQFBR-QJPTWQEYSA-N 1 0 207.317 2.110 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000495540643 526678339 /nfs/dbraw/zinc/67/83/39/526678339.db2.gz KISHMKPJHUVZPR-RYUDHWBXSA-N 1 0 240.347 2.019 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)cc1 ZINC000471809924 526874109 /nfs/dbraw/zinc/87/41/09/526874109.db2.gz MQFKNOCJOXHRNR-TZMCWYRMSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CC[N@@H+](CCc1ncc(C)cc1C)C1CC1 ZINC000491638567 526901296 /nfs/dbraw/zinc/90/12/96/526901296.db2.gz XRTPZNPCVMIEJZ-UHFFFAOYSA-N 1 0 228.339 2.339 20 30 BEEDRO C#CC[N@@H+](CC[C@@H](C)O)[C@H]1CCc2ccccc21 ZINC000491821878 526901512 /nfs/dbraw/zinc/90/15/12/526901512.db2.gz YUBWUECHWYDWJL-CJNGLKHVSA-N 1 0 243.350 2.380 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000471804450 526902548 /nfs/dbraw/zinc/90/25/48/526902548.db2.gz MRTXXTTYRRYKMA-TZMCWYRMSA-N 1 0 247.338 2.207 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](CC)CCO ZINC000305721069 526929200 /nfs/dbraw/zinc/92/92/00/526929200.db2.gz BGRVJTCQIPTNFY-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000495727897 527128676 /nfs/dbraw/zinc/12/86/76/527128676.db2.gz KJMUQUGALKGFEH-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CO)C(C)C ZINC000308859368 527139779 /nfs/dbraw/zinc/13/97/79/527139779.db2.gz QYWKANNTJLEUNN-YNEHKIRRSA-N 1 0 213.365 2.441 20 30 BEEDRO C=CC[C@H](CC)NC(=O)CC1CC[NH+](C)CC1 ZINC000487672188 527145072 /nfs/dbraw/zinc/14/50/72/527145072.db2.gz GRDDVGZDMSWPOV-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488044232 527198972 /nfs/dbraw/zinc/19/89/72/527198972.db2.gz RSWITUZFOPFURF-ZDUSSCGKSA-N 1 0 210.365 2.225 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCC(C)C)C(C)(C)C ZINC000491486045 527260578 /nfs/dbraw/zinc/26/05/78/527260578.db2.gz SLFHSNXAFMTLDF-LLVKDONJSA-N 1 0 223.364 2.194 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2n[nH]c(C)c2c1)C(C)C ZINC000491630087 527291799 /nfs/dbraw/zinc/29/17/99/527291799.db2.gz WYZIJTXRTFBLRL-CYBMUJFWSA-N 1 0 242.326 2.014 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1cccc(F)c1 ZINC000491670110 527333105 /nfs/dbraw/zinc/33/31/05/527333105.db2.gz LQFBLNDWRHPLDV-NSHDSACASA-N 1 0 221.275 2.158 20 30 BEEDRO C#C[C@H](CC)[NH+]=C(NCc1ccccc1)N(C)C ZINC000491451648 527345033 /nfs/dbraw/zinc/34/50/33/527345033.db2.gz HAMRCYULOVGLRK-CQSZACIVSA-N 1 0 243.354 2.106 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000309061044 527362638 /nfs/dbraw/zinc/36/26/38/527362638.db2.gz WPQWQXQCRRISOL-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H]1COCC ZINC000309061046 527363940 /nfs/dbraw/zinc/36/39/40/527363940.db2.gz WPQWQXQCRRISOL-UPJWGTAASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+]CC[C@H]1CCOC1)C(C)(C)C ZINC000309080185 527409457 /nfs/dbraw/zinc/40/94/57/527409457.db2.gz OHQXSNOWWMEVJL-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]([NH2+]CC1CC1)c1ccc(F)cc1 ZINC000308856888 527409721 /nfs/dbraw/zinc/40/97/21/527409721.db2.gz RAZMJQLIMQOUMJ-ZDUSSCGKSA-N 1 0 203.260 2.500 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000300951582 527413569 /nfs/dbraw/zinc/41/35/69/527413569.db2.gz PTVYYUYALHUXKL-RNJOBUHISA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC000300899852 527414011 /nfs/dbraw/zinc/41/40/11/527414011.db2.gz KUGAVQWRBGNYED-IHRRRGAJSA-N 1 0 223.360 2.437 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCCC(=O)OCC ZINC000489444272 527456371 /nfs/dbraw/zinc/45/63/71/527456371.db2.gz WIADJFSVECYVRA-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000494706479 527574058 /nfs/dbraw/zinc/57/40/58/527574058.db2.gz FFVJXQVSMJWVJJ-UHFFFAOYSA-N 1 0 233.311 2.118 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000494629594 527577705 /nfs/dbraw/zinc/57/77/05/527577705.db2.gz MEBMZBICALJQJR-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](CCCSCC#N)C[C@@H]21 ZINC000173899985 527848358 /nfs/dbraw/zinc/84/83/58/527848358.db2.gz SLSVOTGLZSCXSN-PHIMTYICSA-N 1 0 224.373 2.221 20 30 BEEDRO COCCC[N@H+](C)Cc1cccc(C#N)c1F ZINC000219518857 536513340 /nfs/dbraw/zinc/51/33/40/536513340.db2.gz RYPGPBZZEMYEJH-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO CC[N@H+](CCCO)Cc1ccc(C#N)c(C)c1 ZINC000488415152 528469428 /nfs/dbraw/zinc/46/94/28/528469428.db2.gz PCNYOSAHVBHPNK-UHFFFAOYSA-N 1 0 232.327 2.071 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCSC1 ZINC000495176019 528705623 /nfs/dbraw/zinc/70/56/23/528705623.db2.gz WFAGRLIUVHAXNN-MNOVXSKESA-N 1 0 212.362 2.221 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404001015 528976578 /nfs/dbraw/zinc/97/65/78/528976578.db2.gz NAXSSXLPKADANW-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO CCC(CC)(CO)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185871509 534993308 /nfs/dbraw/zinc/99/33/08/534993308.db2.gz MIRZIRHHYKWIDT-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(CCNC(=[NH2+])NC1CCC1)C1CC1 ZINC000263211173 534993619 /nfs/dbraw/zinc/99/36/19/534993619.db2.gz ZBWUEWRTUFVVDG-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000168184917 535006575 /nfs/dbraw/zinc/00/65/75/535006575.db2.gz BTZBVICFQWGRTB-QWRGUYRKSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267404943 535064346 /nfs/dbraw/zinc/06/43/46/535064346.db2.gz GRCAVMFORXLAKY-ZIAGYGMSSA-N 1 0 245.370 2.178 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000267404939 535065259 /nfs/dbraw/zinc/06/52/59/535065259.db2.gz GRCAVMFORXLAKY-UONOGXRCSA-N 1 0 245.370 2.178 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCC#N)[C@@H]2CCCO[C@@H]21 ZINC000309363763 535069561 /nfs/dbraw/zinc/06/95/61/535069561.db2.gz AWPDJPWPZJOWRK-TUAOUCFPSA-N 1 0 222.332 2.083 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@H]2CCCO[C@@H]21 ZINC000181683122 535069930 /nfs/dbraw/zinc/06/99/30/535069930.db2.gz WVQLGGPUTOSIJC-UPJWGTAASA-N 1 0 236.359 2.473 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@H]2CCCO[C@@H]21 ZINC000349308535 535077613 /nfs/dbraw/zinc/07/76/13/535077613.db2.gz ABRIPSPYYSGKMU-MRTXSQPYSA-N 1 0 248.370 2.472 20 30 BEEDRO CC(C)(CNC(N)=[NH2+])Cc1cccc(Cl)c1 ZINC000129562046 535079178 /nfs/dbraw/zinc/07/91/78/535079178.db2.gz JSHIVGLPSPMJMP-UHFFFAOYSA-N 1 0 239.750 2.182 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCCCC#N)CCO1 ZINC000309313129 535250334 /nfs/dbraw/zinc/25/03/34/535250334.db2.gz CJKRIOZMSJCLFS-QWHCGFSZSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@H](C)Oc1ccccc1 ZINC000267388802 535262053 /nfs/dbraw/zinc/26/20/53/535262053.db2.gz CLSWWQFLVNFCSR-LBPRGKRZSA-N 1 0 249.358 2.158 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccccc1COC ZINC000264064944 535262076 /nfs/dbraw/zinc/26/20/76/535262076.db2.gz AUHNOCBEEXBWRY-UHFFFAOYSA-N 1 0 249.358 2.037 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)NC[C@H]1CC1(C)C ZINC000263131171 535266412 /nfs/dbraw/zinc/26/64/12/535266412.db2.gz GWUBJHPQQPGNDQ-GFCCVEGCSA-N 1 0 249.358 2.381 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263172633 535291401 /nfs/dbraw/zinc/29/14/01/535291401.db2.gz SGRLPQLZUYPFLH-BZPMIXESSA-N 1 0 237.391 2.468 20 30 BEEDRO CC(C)c1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262675172 535375232 /nfs/dbraw/zinc/37/52/32/535375232.db2.gz SVMSUIVXMSODGF-UHFFFAOYSA-N 1 0 231.343 2.201 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCc1ccc(C)cc1 ZINC000267458853 535389240 /nfs/dbraw/zinc/38/92/40/535389240.db2.gz UIFSLBUNVIYMMD-UHFFFAOYSA-N 1 0 233.359 2.194 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000264067854 535389656 /nfs/dbraw/zinc/38/96/56/535389656.db2.gz FIFBLISLYMADIF-CYBMUJFWSA-N 1 0 249.358 2.031 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911161 535391669 /nfs/dbraw/zinc/39/16/69/535391669.db2.gz MJPXMRCAPOKHFF-STQMWFEESA-N 1 0 249.333 2.338 20 30 BEEDRO CCC[C@@H]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000263137929 535411714 /nfs/dbraw/zinc/41/17/14/535411714.db2.gz NWTRCYYKZVPKKQ-CHWSQXEVSA-N 1 0 237.391 2.484 20 30 BEEDRO CCOCC[N@H+](CC)[C@@H]1CC[C@H](C#N)C1 ZINC000338981289 535587114 /nfs/dbraw/zinc/58/71/14/535587114.db2.gz KYIZXAHZBXSIMW-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[C@]1(C)CCCN(/C(NC)=[NH+]/C)C1 ZINC000261644333 535764886 /nfs/dbraw/zinc/76/48/86/535764886.db2.gz ANOZWHVKDAZACG-GFCCVEGCSA-N 1 0 211.353 2.094 20 30 BEEDRO CCNC(N[C@@H]1c2ccccc2O[C@@H]1C)=[NH+]CC ZINC000262310587 535786910 /nfs/dbraw/zinc/78/69/10/535786910.db2.gz SJENCHHDHLKYSZ-MFKMUULPSA-N 1 0 247.342 2.084 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@H+](C)C[C@H](C)C#N)CCO1 ZINC000356974948 535895087 /nfs/dbraw/zinc/89/50/87/535895087.db2.gz BXNXLMFTIDUWFX-JHJVBQTASA-N 1 0 224.348 2.283 20 30 BEEDRO C[NH+](C)Cc1ccc(NC(=O)CCCC#N)cc1 ZINC000292565820 536014744 /nfs/dbraw/zinc/01/47/44/536014744.db2.gz JXENEVPMJMUJTD-UHFFFAOYSA-N 1 0 245.326 2.381 20 30 BEEDRO CC[C@@]1(C)CCN(C(NC2CCC2)=[NH+]C)C1 ZINC000261853871 536041166 /nfs/dbraw/zinc/04/11/66/536041166.db2.gz YKNBFTRLWGYWGI-ZDUSSCGKSA-N 1 0 223.364 2.236 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@H]1CCCC[C@H]1O ZINC000305797031 536314525 /nfs/dbraw/zinc/31/45/25/536314525.db2.gz FZCYXSGHSGAGAO-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO COC(=O)CCCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000348903142 536447243 /nfs/dbraw/zinc/44/72/43/536447243.db2.gz GDKWJXXBZHXSDY-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000309586442 536645202 /nfs/dbraw/zinc/64/52/02/536645202.db2.gz RXSDIWBCKURPSQ-JHJVBQTASA-N 1 0 224.348 2.329 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@@H]2CC2(C)C)cc1 ZINC000262003860 536655897 /nfs/dbraw/zinc/65/58/97/536655897.db2.gz QTXXFIGGXNXOJQ-LLVKDONJSA-N 1 0 233.315 2.220 20 30 BEEDRO CO[C@H]1CC[N@H+](CCC(C)(C)C#N)[C@@H](C)C1 ZINC000304149698 536745401 /nfs/dbraw/zinc/74/54/01/536745401.db2.gz GRLAJSACWRXEKU-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000234796824 536745462 /nfs/dbraw/zinc/74/54/62/536745462.db2.gz MPZMTZUDSJVTIV-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO COCC1(C#N)CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000342002231 536801180 /nfs/dbraw/zinc/80/11/80/536801180.db2.gz WUSXLYQUIXFVPH-ZDUSSCGKSA-N 1 0 234.343 2.347 20 30 BEEDRO COCC1(C[N@H+](C[C@@H](C)C#N)C2CC2)CCC1 ZINC000361328291 536819877 /nfs/dbraw/zinc/81/98/77/536819877.db2.gz JZIFQVTVJXIWAO-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1[NH2+]CC#CCOC ZINC000389982234 566380598 /nfs/dbraw/zinc/38/05/98/566380598.db2.gz JTDKTBFJYORMNE-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC(C)(C)CC(=O)O[C@@H](CC)C[NH+](C)C ZINC000893291311 583089215 /nfs/dbraw/zinc/08/92/15/583089215.db2.gz PYDUYCRTTHFKOR-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CSCCC ZINC000893566305 583165005 /nfs/dbraw/zinc/16/50/05/583165005.db2.gz AKAAYRQPNZDOSP-GHMZBOCLSA-N 1 0 217.378 2.045 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1 ZINC000894084800 583295183 /nfs/dbraw/zinc/29/51/83/583295183.db2.gz VZKGXXAPSLWRBL-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853064324 588718741 /nfs/dbraw/zinc/71/87/41/588718741.db2.gz KOLNRIWYXLYJFA-CQSZACIVSA-N 1 0 234.343 2.451 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853103052 588720198 /nfs/dbraw/zinc/72/01/98/588720198.db2.gz MAEQWUHRSLUNNA-GXTWGEPZSA-N 1 0 234.343 2.449 20 30 BEEDRO C#Cc1cccnc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000853162028 588723131 /nfs/dbraw/zinc/72/31/31/588723131.db2.gz KUSRWEWEYXPUAL-ZDUSSCGKSA-N 1 0 243.354 2.207 20 30 BEEDRO C#Cc1cccnc1NCC[NH+]1CCCCCC1 ZINC000853153523 588723204 /nfs/dbraw/zinc/72/32/04/588723204.db2.gz UWFZXIRKOFCQBF-UHFFFAOYSA-N 1 0 243.354 2.351 20 30 BEEDRO C#Cc1cccnc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000853183416 588723850 /nfs/dbraw/zinc/72/38/50/588723850.db2.gz IBQCLWGTTKXDFK-KGLIPLIRSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1cccnc1NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000853230409 588728000 /nfs/dbraw/zinc/72/80/00/588728000.db2.gz YXKCCCMLHFSKFB-ZDUSSCGKSA-N 1 0 243.354 2.207 20 30 BEEDRO CC[N@H+](CCNc1nc(C#N)ccc1C)C(C)C ZINC000853253591 588729383 /nfs/dbraw/zinc/72/93/83/588729383.db2.gz OCFKJNAIZAPJDZ-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[C@@H]1CCCCC1=[NH+]n1cnnc1 ZINC000853254548 588729678 /nfs/dbraw/zinc/72/96/78/588729678.db2.gz WZHCKFKDOVIWFS-SNVBAGLBSA-N 1 0 204.277 2.249 20 30 BEEDRO C#Cc1cccnc1NCC[N@@H+](C)CCCC ZINC000853320812 588732413 /nfs/dbraw/zinc/73/24/13/588732413.db2.gz FHBQPFJZZSEMMA-UHFFFAOYSA-N 1 0 231.343 2.207 20 30 BEEDRO C=CC[C@@H]1CCCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000853330523 588733617 /nfs/dbraw/zinc/73/36/17/588733617.db2.gz OPPNXVHXHKEPKN-GHMZBOCLSA-N 1 0 234.347 2.046 20 30 BEEDRO C[C@@H]1CCCCN1N=C1CC[N@H+](C)[C@H](C)C1 ZINC000853381162 588739636 /nfs/dbraw/zinc/73/96/36/588739636.db2.gz XQCCIQZSURZOLF-VXGBXAGGSA-N 1 0 223.364 2.331 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccnc(Cl)c2)C[N@@H+]1C ZINC000853395286 588740804 /nfs/dbraw/zinc/74/08/04/588740804.db2.gz RLZQSRDILHECJY-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO CC(CC[NH+](C)C)=NN1CCCC[C@@H]1C ZINC000853379245 588738691 /nfs/dbraw/zinc/73/86/91/588738691.db2.gz HGFPVXGXUTYZHA-LBPRGKRZSA-N 1 0 211.353 2.188 20 30 BEEDRO C=CCN(C)Cn1ncc(Cl)c1C1CC1 ZINC000853507126 588746733 /nfs/dbraw/zinc/74/67/33/588746733.db2.gz LOYLMPBHYMDVMS-UHFFFAOYSA-N 1 0 225.723 2.489 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@H](C)[C@@H](C)C1=O ZINC000853598377 588750219 /nfs/dbraw/zinc/75/02/19/588750219.db2.gz QCURSOAXFTYIPR-RFQIPJPRSA-N 1 0 248.370 2.241 20 30 BEEDRO C=C(Cl)CON=C(N)C[N@H+]1CCCC[C@H]1C ZINC000853667175 588753742 /nfs/dbraw/zinc/75/37/42/588753742.db2.gz ZCLFVXKGRZEYIE-SNVBAGLBSA-N 1 0 245.754 2.112 20 30 BEEDRO CC(C)C(N)=[NH+]OCCc1ccc(C#N)cc1 ZINC000853685111 588755766 /nfs/dbraw/zinc/75/57/66/588755766.db2.gz PTGXCNKORZRXLP-UHFFFAOYSA-N 1 0 231.299 2.255 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1nccc(N(C)C)n1 ZINC000853953104 588770250 /nfs/dbraw/zinc/77/02/50/588770250.db2.gz OGYROYWVVVCFCK-TXEJJXNPSA-N 1 0 244.342 2.230 20 30 BEEDRO C#C[C@@](C)(CC)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000854698168 588802770 /nfs/dbraw/zinc/80/27/70/588802770.db2.gz SRWQVWTVWNRQQH-OCCSQVGLSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000890549302 582470825 /nfs/dbraw/zinc/47/08/25/582470825.db2.gz KJDNJURLHHOGLY-ZDUSSCGKSA-N 1 0 248.370 2.039 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cn(C)nc2CC)C1 ZINC000843423958 582556750 /nfs/dbraw/zinc/55/67/50/582556750.db2.gz MTBAHINRIWYQPR-ZDUSSCGKSA-N 1 0 245.370 2.218 20 30 BEEDRO C=CCCCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000890809174 582571456 /nfs/dbraw/zinc/57/14/56/582571456.db2.gz NGVYYNZEPPBRQK-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO CCCCCCC[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000130014083 582575834 /nfs/dbraw/zinc/57/58/34/582575834.db2.gz HYZVCYZEBTWHLU-RYUDHWBXSA-N 1 0 228.380 2.446 20 30 BEEDRO C=C[C@H](C)ON=C1CC[N@@H+](CC)C[C@H]1C ZINC000844621451 582603282 /nfs/dbraw/zinc/60/32/82/582603282.db2.gz HIQMRRRXXSCVLD-MNOVXSKESA-N 1 0 210.321 2.295 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000891266588 582645577 /nfs/dbraw/zinc/64/55/77/582645577.db2.gz DTZQGJMHCKXDOH-RYUDHWBXSA-N 1 0 236.359 2.084 20 30 BEEDRO Cc1cc(C#N)ccc1N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000846755872 582664943 /nfs/dbraw/zinc/66/49/43/582664943.db2.gz USSLYVMSXFDKCV-STQMWFEESA-N 1 0 243.354 2.396 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000113493432 588842269 /nfs/dbraw/zinc/84/22/69/588842269.db2.gz NXNTZGQPOMOWRK-LBPRGKRZSA-N 1 0 226.364 2.200 20 30 BEEDRO C=CC[N@H+](Cc1c2c(nn1C)CCC2)C(C)C ZINC000891673714 582709277 /nfs/dbraw/zinc/70/92/77/582709277.db2.gz BQKNRIZKOQOIDM-UHFFFAOYSA-N 1 0 233.359 2.305 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cccc2c1OCC2 ZINC000891716318 582712809 /nfs/dbraw/zinc/71/28/09/582712809.db2.gz OEKLDSDIXMLPSJ-LLVKDONJSA-N 1 0 230.311 2.213 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1C[C@@]1(C)Br ZINC000891805214 582724494 /nfs/dbraw/zinc/72/44/94/582724494.db2.gz FOXDZTAECIQQJI-NXEZZACHSA-N 1 0 230.149 2.115 20 30 BEEDRO CCCCCCCNC(=O)C[NH+](CC)CC ZINC000100063143 582753236 /nfs/dbraw/zinc/75/32/36/582753236.db2.gz IPRYDBGNTZFWNM-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C#CCCNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000849008613 582823072 /nfs/dbraw/zinc/82/30/72/582823072.db2.gz LAZFSMPDTWXPNN-LBPRGKRZSA-N 1 0 223.364 2.338 20 30 BEEDRO C#CCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849008840 582823114 /nfs/dbraw/zinc/82/31/14/582823114.db2.gz VGBRCLBPJYZIJM-UHFFFAOYSA-N 1 0 215.300 2.209 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@@]1(C)c1ccccc1)N(C)C ZINC000849010647 582823412 /nfs/dbraw/zinc/82/34/12/582823412.db2.gz VOQMODQGGGTHDU-HIFRSBDPSA-N 1 0 245.370 2.196 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCc2ccccc21 ZINC000780293355 582827136 /nfs/dbraw/zinc/82/71/36/582827136.db2.gz SZVKSJIFEGLLDZ-HNNXBMFYSA-N 1 0 223.319 2.285 20 30 BEEDRO C=CC[N@@H+](CCC(=O)N1CCC[C@@H]1C)C(C)C ZINC000743841655 582858303 /nfs/dbraw/zinc/85/83/03/582858303.db2.gz QFDAEJDFOBMEGH-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO CC[N@H+](Cc1ccc(C(=O)NO)cc1)C(C)C ZINC000782172307 582869163 /nfs/dbraw/zinc/86/91/63/582869163.db2.gz PNNNCCZBOBPPFQ-UHFFFAOYSA-N 1 0 236.315 2.036 20 30 BEEDRO C#CCSCCNc1cc(N)[nH+]cc1Cl ZINC000892641550 582936359 /nfs/dbraw/zinc/93/63/59/582936359.db2.gz VNZZJBRNAFEWPQ-UHFFFAOYSA-N 1 0 241.747 2.096 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)Cc1ccccc1OC ZINC000394125153 582956001 /nfs/dbraw/zinc/95/60/01/582956001.db2.gz TZYWMTMLCLSXAT-ZDUSSCGKSA-N 1 0 249.354 2.418 20 30 BEEDRO C[C@]1(Br)C[C@@H]1C[NH2+]CCCCC#N ZINC000892930350 583011371 /nfs/dbraw/zinc/01/13/71/583011371.db2.gz UBTOLJHPHKTZPP-ZJUUUORDSA-N 1 0 245.164 2.443 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000852411763 583013305 /nfs/dbraw/zinc/01/33/05/583013305.db2.gz VJFHUSBJRYDLSQ-OLZOCXBDSA-N 1 0 237.343 2.228 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn2ccnc2s1 ZINC000892951311 583017712 /nfs/dbraw/zinc/01/77/12/583017712.db2.gz RZXGNHXASKNQTI-VIFPVBQESA-N 1 0 221.329 2.450 20 30 BEEDRO C=CCCOCCNc1cc(N)[nH+]cc1Cl ZINC000892994134 583027154 /nfs/dbraw/zinc/02/71/54/583027154.db2.gz SWAFOQWRDGBCDU-UHFFFAOYSA-N 1 0 241.722 2.322 20 30 BEEDRO CC[C@@H](C[C@H](C)CO)[NH2+]CC#Cc1ccccc1 ZINC000893073608 583041893 /nfs/dbraw/zinc/04/18/93/583041893.db2.gz CXJDYSZKUPUVBY-HOCLYGCPSA-N 1 0 245.366 2.425 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000856745181 588875046 /nfs/dbraw/zinc/87/50/46/588875046.db2.gz OJAHIPXMXRIANR-QWRGUYRKSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000856745180 588875124 /nfs/dbraw/zinc/87/51/24/588875124.db2.gz OJAHIPXMXRIANR-MNOVXSKESA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCCCC(=O)N(C)CC[NH3+] ZINC000114576333 588875366 /nfs/dbraw/zinc/87/53/66/588875366.db2.gz YZANPDWEAPPHSG-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO CCCCCCCCc1nc(CC[NH3+])no1 ZINC000114576820 588876159 /nfs/dbraw/zinc/87/61/59/588876159.db2.gz KHYBDOPIPIISCC-UHFFFAOYSA-N 1 0 225.336 2.474 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CSCCC ZINC000893284365 583085331 /nfs/dbraw/zinc/08/53/31/583085331.db2.gz QHLKGZDXVSOFBQ-VXGBXAGGSA-N 1 0 231.405 2.292 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775340536 583086806 /nfs/dbraw/zinc/08/68/06/583086806.db2.gz HBTRFFZJOWNITF-GJZGRUSLSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCCO1 ZINC000775341624 583086954 /nfs/dbraw/zinc/08/69/54/583086954.db2.gz MLJKYNIJKZJSOJ-ASQNPNNHSA-N 1 0 241.334 2.470 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893516091 583155441 /nfs/dbraw/zinc/15/54/41/583155441.db2.gz OSUWISGDJGFLJE-UHFFFAOYSA-N 1 0 224.691 2.439 20 30 BEEDRO C[C@]1(Br)C[C@@H]1C[NH2+]CCCC#N ZINC000893514140 583155731 /nfs/dbraw/zinc/15/57/31/583155731.db2.gz JLRRXLILKDVYHC-BDAKNGLRSA-N 1 0 231.137 2.053 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H]1CCC[C@H](C)C1 ZINC000104179523 583158600 /nfs/dbraw/zinc/15/86/00/583158600.db2.gz CMKWFHCRVBTKCA-RYUDHWBXSA-N 1 0 225.380 2.469 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(O)c(F)c1)C1CC1 ZINC000893612569 583173395 /nfs/dbraw/zinc/17/33/95/583173395.db2.gz RXGRFCZXHCJOBF-UHFFFAOYSA-N 1 0 219.259 2.129 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)cc1 ZINC000840978424 583214180 /nfs/dbraw/zinc/21/41/80/583214180.db2.gz NUVBIGFDVQMOIN-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO Cc1cc(C#N)nc(N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000893905355 583242815 /nfs/dbraw/zinc/24/28/15/583242815.db2.gz MVWZFTVGSUGQFD-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893930288 583249976 /nfs/dbraw/zinc/24/99/76/583249976.db2.gz XLGCRICNENVORE-NWDGAFQWSA-N 1 0 243.322 2.128 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cnn(C2CCC2)c1 ZINC000894060130 583291379 /nfs/dbraw/zinc/29/13/79/583291379.db2.gz OQWVANQJUDSYTK-LLVKDONJSA-N 1 0 217.316 2.062 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cnn(CC2CCC2)c1 ZINC000894059931 583291902 /nfs/dbraw/zinc/29/19/02/583291902.db2.gz NDUIVIUKSXKSNE-LBPRGKRZSA-N 1 0 231.343 2.137 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000894060772 583292990 /nfs/dbraw/zinc/29/29/90/583292990.db2.gz YAGFKXVDHBZDHS-LPEHRKFASA-N 1 0 230.149 2.113 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C1([NH3+])CCCC1 ZINC000877303639 583309436 /nfs/dbraw/zinc/30/94/36/583309436.db2.gz KZULYHWEAGKZBX-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccnn1CC1CCC1 ZINC000877512982 583320094 /nfs/dbraw/zinc/32/00/94/583320094.db2.gz HRTDUOAUXXYGJW-ZDUSSCGKSA-N 1 0 231.343 2.185 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000877513039 583320217 /nfs/dbraw/zinc/32/02/17/583320217.db2.gz JWQSOOWMTPWPGD-LSDHHAIUSA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000877514665 583321088 /nfs/dbraw/zinc/32/10/88/583321088.db2.gz SNCJLWIUFXGXEN-KGLIPLIRSA-N 1 0 228.339 2.124 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](OC)C1CCCC1)C(C)C ZINC000877513329 583321109 /nfs/dbraw/zinc/32/11/09/583321109.db2.gz RNGVYBSVGLVCKY-KGLIPLIRSA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CC[C@H]1CC1(Cl)Cl ZINC000857246769 588901369 /nfs/dbraw/zinc/90/13/69/588901369.db2.gz HLUDUCRBXMRUMN-YUMQZZPRSA-N 1 0 221.131 2.462 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000894232828 583385071 /nfs/dbraw/zinc/38/50/71/583385071.db2.gz JXALPTJFHHCHTC-FDYHWXHSSA-N 1 0 227.348 2.123 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OC)o1)C(C)C ZINC000894386805 583443324 /nfs/dbraw/zinc/44/33/24/583443324.db2.gz FNSSCYNECMZYQZ-NSHDSACASA-N 1 0 207.273 2.036 20 30 BEEDRO C#C[C@H](C)[NH2+]CCc1ccc(C)c(C)c1 ZINC000894385152 583443332 /nfs/dbraw/zinc/44/33/32/583443332.db2.gz XOCYLZRIDAVCMV-ZDUSSCGKSA-N 1 0 201.313 2.457 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OCC)o1)C(C)C ZINC000894387836 583444153 /nfs/dbraw/zinc/44/41/53/583444153.db2.gz WOAIYSWUMYMNQI-GFCCVEGCSA-N 1 0 221.300 2.426 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OCC)o1 ZINC000894387630 583444390 /nfs/dbraw/zinc/44/43/90/583444390.db2.gz RGSSTHTWGSYQLR-JTQLQIEISA-N 1 0 207.273 2.180 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000894387437 583444443 /nfs/dbraw/zinc/44/44/43/583444443.db2.gz MOTCNYLOSFFDRQ-BBBLOLIVSA-N 1 0 230.149 2.161 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc(F)cc1C ZINC000894387219 583444574 /nfs/dbraw/zinc/44/45/74/583444574.db2.gz KXPZAZXZIHHESY-LLVKDONJSA-N 1 0 206.264 2.031 20 30 BEEDRO C#C[C@H]([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000894387237 583444631 /nfs/dbraw/zinc/44/46/31/583444631.db2.gz LCBLRRXFNGRSJH-LBPRGKRZSA-N 1 0 218.325 2.367 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(C)nc1C1CC1)C(C)C ZINC000894387503 583444745 /nfs/dbraw/zinc/44/47/45/583444745.db2.gz OAPYSVHNGZELBI-CYBMUJFWSA-N 1 0 231.343 2.045 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1C1CCC1)C(C)C ZINC000894388052 583445102 /nfs/dbraw/zinc/44/51/02/583445102.db2.gz ZFOBXJNSKWKATF-CQSZACIVSA-N 1 0 231.343 2.356 20 30 BEEDRO C=CCCCCCNc1cc[nH+]cc1CO ZINC000894428495 583456564 /nfs/dbraw/zinc/45/65/64/583456564.db2.gz XBPZWCWAKAHOHZ-UHFFFAOYSA-N 1 0 220.316 2.154 20 30 BEEDRO Cc1ccnc(N)c1C[NH+]1CCC(C)(C#N)CC1 ZINC000894430755 583457850 /nfs/dbraw/zinc/45/78/50/583457850.db2.gz CFQSGCKLQXSAJN-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO Cc1ccnc(N)c1CN1CCC[C@](C)(C#N)C1 ZINC000894443032 583460134 /nfs/dbraw/zinc/46/01/34/583460134.db2.gz BIBMRUIPTPHXSS-CQSZACIVSA-N 1 0 244.342 2.098 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000894554004 583483586 /nfs/dbraw/zinc/48/35/86/583483586.db2.gz WOTPLRRMGICGDJ-CHWSQXEVSA-N 1 0 217.312 2.051 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc2c1NCCC2 ZINC000894573416 583487118 /nfs/dbraw/zinc/48/71/18/583487118.db2.gz ASNYQOACNNAJLX-GFCCVEGCSA-N 1 0 228.339 2.498 20 30 BEEDRO CC1(O)CCC([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1 ZINC000894692706 583507990 /nfs/dbraw/zinc/50/79/90/583507990.db2.gz YZWDFZBQSZAUNE-AHPWVWPOSA-N 1 0 236.359 2.352 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1Cc2ccccc2[C@@H]1C ZINC000857739711 588907505 /nfs/dbraw/zinc/90/75/05/588907505.db2.gz DEEQJBDRUSKGRR-LBPRGKRZSA-N 1 0 244.338 2.208 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894712082 583510878 /nfs/dbraw/zinc/51/08/78/583510878.db2.gz OKOYNSKXMGCEJI-NEPJUHHUSA-N 1 0 243.322 2.176 20 30 BEEDRO CC[C@@H]([NH2+]Cc1c(C)cc(C#N)cc1C)[C@H](C)O ZINC000894734932 583514324 /nfs/dbraw/zinc/51/43/24/583514324.db2.gz MFVUSMCGTHQLEQ-SWLSCSKDSA-N 1 0 246.354 2.424 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894737732 583514637 /nfs/dbraw/zinc/51/46/37/583514637.db2.gz FWNBPGBBFRZBAZ-LLVKDONJSA-N 1 0 229.283 2.033 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1[nH]nc(C)c1C)C(C)(C)C ZINC000894785011 583520953 /nfs/dbraw/zinc/52/09/53/583520953.db2.gz PKXIAUXEMAAOIV-GFCCVEGCSA-N 1 0 219.332 2.164 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1COCO1 ZINC000894879177 583542781 /nfs/dbraw/zinc/54/27/81/583542781.db2.gz QPQRUOFVDKPTPB-RYUDHWBXSA-N 1 0 213.321 2.084 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cnccn1 ZINC000894880117 583543666 /nfs/dbraw/zinc/54/36/66/583543666.db2.gz IOTVPNPCXJEZHQ-WOPDTQHZSA-N 1 0 230.315 2.210 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1COCO1 ZINC000894880598 583543748 /nfs/dbraw/zinc/54/37/48/583543748.db2.gz DZHMXHHCSINLFH-VXGBXAGGSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)Cc1ccc(C)cc1 ZINC000519917727 583546776 /nfs/dbraw/zinc/54/67/76/583546776.db2.gz GIIXDHRSAXKVND-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO COc1nccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1F ZINC000895010042 583567548 /nfs/dbraw/zinc/56/75/48/583567548.db2.gz KZYZZFSAMNPVDV-GXSJLCMTSA-N 1 0 249.289 2.011 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cnc1F ZINC000895010885 583568170 /nfs/dbraw/zinc/56/81/70/583568170.db2.gz XJTFMJIWTVYDMT-CMPLNLGQSA-N 1 0 233.290 2.311 20 30 BEEDRO C[C@@H]1CC(=NNCC2CCCC2)CC[N@@H+]1C ZINC000808006171 583590274 /nfs/dbraw/zinc/59/02/74/583590274.db2.gz RUBASOLMDGHILI-LLVKDONJSA-N 1 0 223.364 2.236 20 30 BEEDRO CC[C@@H](C)C[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000895112612 583591787 /nfs/dbraw/zinc/59/17/87/583591787.db2.gz RLWLKSVLNUMMPI-GDBMZVCRSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857861267 588914789 /nfs/dbraw/zinc/91/47/89/588914789.db2.gz ZNVKKDUPABEUBF-MWLCHTKSSA-N 1 0 205.305 2.341 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CCc2ccccc21 ZINC000895131559 583601216 /nfs/dbraw/zinc/60/12/16/583601216.db2.gz JFFDNXZNWXWGII-HUUCEWRRSA-N 1 0 243.350 2.080 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857867763 588915661 /nfs/dbraw/zinc/91/56/61/588915661.db2.gz JQLRXEDGIBGERN-NSHDSACASA-N 1 0 205.305 2.343 20 30 BEEDRO COCCCN[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000794540106 583607480 /nfs/dbraw/zinc/60/74/80/583607480.db2.gz YXZGVAKLXPHUDV-UHFFFAOYSA-N 1 0 249.358 2.103 20 30 BEEDRO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895161025 583609713 /nfs/dbraw/zinc/60/97/13/583609713.db2.gz DBFWWLAZWUNRSQ-RYUDHWBXSA-N 1 0 240.347 2.091 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnc(F)cc2C)C1 ZINC000895203808 583624173 /nfs/dbraw/zinc/62/41/73/583624173.db2.gz YQLJIGMXLDTDHY-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000895201418 583624729 /nfs/dbraw/zinc/62/47/29/583624729.db2.gz DCAADHKQIWQDHU-ZDUSSCGKSA-N 1 0 231.343 2.057 20 30 BEEDRO Cc1cc(CNCC[C@@H](C)[NH+](C)C)ccc1C#N ZINC000895294382 583638398 /nfs/dbraw/zinc/63/83/98/583638398.db2.gz PNTZVTFGSFVQAT-CYBMUJFWSA-N 1 0 245.370 2.297 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC(C)=NO1 ZINC000895306898 583643250 /nfs/dbraw/zinc/64/32/50/583643250.db2.gz KXKHTYFLGUUFRD-MVWJERBFSA-N 1 0 210.321 2.342 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895306271 583643996 /nfs/dbraw/zinc/64/39/96/583643996.db2.gz BVSPRFNNDHWXES-NEPJUHHUSA-N 1 0 210.321 2.486 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C)co1)C1CCOCC1 ZINC000895333117 583652091 /nfs/dbraw/zinc/65/20/91/583652091.db2.gz XSDNVQFHIYUNNB-CQSZACIVSA-N 1 0 233.311 2.106 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000895383701 583662906 /nfs/dbraw/zinc/66/29/06/583662906.db2.gz APJRKYKKSMOTRE-HUUCEWRRSA-N 1 0 247.382 2.439 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccc(C)c(F)c2)CC1 ZINC000895383502 583663339 /nfs/dbraw/zinc/66/33/39/583663339.db2.gz WUEZIRQJHKOOKG-UHFFFAOYSA-N 1 0 247.313 2.094 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H]1CCc2cccnc21 ZINC000895416443 583667305 /nfs/dbraw/zinc/66/73/05/583667305.db2.gz WGDBWBFMNDZILN-UONOGXRCSA-N 1 0 244.338 2.087 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cs1 ZINC000895441888 583675357 /nfs/dbraw/zinc/67/53/57/583675357.db2.gz BECOPSBUXSZFLJ-RYUDHWBXSA-N 1 0 248.351 2.088 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(F)F)c(F)c1 ZINC000895459342 583677595 /nfs/dbraw/zinc/67/75/95/583677595.db2.gz QMEOYPUDISSFLO-SECBINFHSA-N 1 0 245.244 2.400 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000895491221 583680947 /nfs/dbraw/zinc/68/09/47/583680947.db2.gz YXFXDNKLJQHBPI-FHERZECASA-N 1 0 243.350 2.081 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCc1ccns1 ZINC000895528974 583685302 /nfs/dbraw/zinc/68/53/02/583685302.db2.gz DTEGRIVKDUYCBM-SNVBAGLBSA-N 1 0 223.345 2.215 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CC[C@H]1CCCOC1 ZINC000895561372 583691475 /nfs/dbraw/zinc/69/14/75/583691475.db2.gz PIYRMUMJKYVNSV-MRXNPFEDSA-N 1 0 243.350 2.444 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](CF)C2)cc1 ZINC000895573162 583692813 /nfs/dbraw/zinc/69/28/13/583692813.db2.gz NRPKEHDSUHCDQY-CQSZACIVSA-N 1 0 217.287 2.459 20 30 BEEDRO C#CC1([NH2+]Cc2cnc(OC)s2)CCCC1 ZINC000895677751 583704481 /nfs/dbraw/zinc/70/44/81/583704481.db2.gz RRGDHNLUOWHHHI-UHFFFAOYSA-N 1 0 236.340 2.187 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(CC)c1O ZINC000895713019 583710764 /nfs/dbraw/zinc/71/07/64/583710764.db2.gz HRIYRKJTELYAFU-AWEZNQCLSA-N 1 0 249.354 2.371 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000895712578 583710910 /nfs/dbraw/zinc/71/09/10/583710910.db2.gz ABABEGDHTNEZQO-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000895712987 583710939 /nfs/dbraw/zinc/71/09/39/583710939.db2.gz FWMFCFDUMCLZON-GFCCVEGCSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000895713951 583711148 /nfs/dbraw/zinc/71/11/48/583711148.db2.gz XAJQTXZYENZSNC-OCCSQVGLSA-N 1 0 249.354 2.240 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCCN(CC#C)C1 ZINC000895746589 583716737 /nfs/dbraw/zinc/71/67/37/583716737.db2.gz ACQSWMAWPQCVSD-INIZCTEOSA-N 1 0 246.398 2.257 20 30 BEEDRO C#CCOc1ccc(C[N@H+](C)CCCF)cc1 ZINC000895898307 583740853 /nfs/dbraw/zinc/74/08/53/583740853.db2.gz MKPVJYAKBKDZOB-UHFFFAOYSA-N 1 0 235.302 2.490 20 30 BEEDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](C)CCC#N)C1 ZINC000895926719 583748975 /nfs/dbraw/zinc/74/89/75/583748975.db2.gz JQWKASHJKFWNGO-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CC1CCC(OC)CC1 ZINC000896035192 583764400 /nfs/dbraw/zinc/76/44/00/583764400.db2.gz OXDADEKTWSRNEE-MOKVOYLWSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1Cc2ccccc2C1 ZINC000883389637 583788733 /nfs/dbraw/zinc/78/87/33/583788733.db2.gz VPRBCXZGDSOHBR-HNNXBMFYSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000883401792 583798457 /nfs/dbraw/zinc/79/84/57/583798457.db2.gz YMDJAJXIXXFOBO-ZDUSSCGKSA-N 1 0 205.301 2.103 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](Oc2ccc(C)cn2)C1 ZINC000858034381 588930800 /nfs/dbraw/zinc/93/08/00/588930800.db2.gz ZZAPNCLGRJXZQD-CYBMUJFWSA-N 1 0 232.327 2.419 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000896556157 583811404 /nfs/dbraw/zinc/81/14/04/583811404.db2.gz SQIDIRZFSCZWIC-UONOGXRCSA-N 1 0 222.376 2.252 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000896585681 583815384 /nfs/dbraw/zinc/81/53/84/583815384.db2.gz UMUQYNKUYTUDLK-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896583327 583815746 /nfs/dbraw/zinc/81/57/46/583815746.db2.gz FFCJLWZOHYXGOC-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCn2cccc2C1 ZINC000896760707 583831075 /nfs/dbraw/zinc/83/10/75/583831075.db2.gz DTKOBIWSAZYWQY-LBPRGKRZSA-N 1 0 217.316 2.244 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896826966 583836926 /nfs/dbraw/zinc/83/69/26/583836926.db2.gz HEBBFMJWEVRTGF-LBPRGKRZSA-N 1 0 236.359 2.060 20 30 BEEDRO C=C1CC(c2noc(CC3CC[NH+](C)CC3)n2)C1 ZINC000896876496 583843431 /nfs/dbraw/zinc/84/34/31/583843431.db2.gz HCBLQOXBPGGYLT-UHFFFAOYSA-N 1 0 247.342 2.388 20 30 BEEDRO C=C1CC(c2noc(CCc3ncc[nH]3)n2)C1 ZINC000896875501 583843469 /nfs/dbraw/zinc/84/34/69/583843469.db2.gz GZWFZLQWXLTCQK-UHFFFAOYSA-N 1 0 230.271 2.012 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1C[C@H]1C1CC1 ZINC000858158488 588936201 /nfs/dbraw/zinc/93/62/01/588936201.db2.gz IWWZDKVMJVGCFV-LKTVYLICSA-N 1 0 241.338 2.477 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000858173204 588937336 /nfs/dbraw/zinc/93/73/36/588937336.db2.gz VHEDEAMXWZFQEM-JQWIXIFHSA-N 1 0 233.290 2.393 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)CCS1 ZINC000896952759 583863861 /nfs/dbraw/zinc/86/38/61/583863861.db2.gz QEELSRUCFIMXRK-GHMZBOCLSA-N 1 0 247.367 2.327 20 30 BEEDRO CC#CC[N@@H+](C)C[C@H]1CCO[C@@H](CC)C1 ZINC000897167979 583887069 /nfs/dbraw/zinc/88/70/69/583887069.db2.gz YWBUEEWMOSLQGM-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1C[C@@]1(C)Br ZINC000897168869 583888443 /nfs/dbraw/zinc/88/84/43/583888443.db2.gz HUMWAAOWNGLGFN-NXEZZACHSA-N 1 0 230.149 2.115 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(C)cc1O ZINC000897169070 583888449 /nfs/dbraw/zinc/88/84/49/583888449.db2.gz LILWNWDHWJEVPM-UHFFFAOYSA-N 1 0 203.285 2.156 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccccc1OC ZINC000858331583 588946044 /nfs/dbraw/zinc/94/60/44/588946044.db2.gz FNALQBSBPULPQA-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C/C=C/C)cc1 ZINC000858290756 588942420 /nfs/dbraw/zinc/94/24/20/588942420.db2.gz HCPKGGABDGABFE-HWKANZROSA-N 1 0 215.296 2.364 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(Cl)o1 ZINC000858332115 588946146 /nfs/dbraw/zinc/94/61/46/588946146.db2.gz NYBJGWDYVAMUGV-SNVBAGLBSA-N 1 0 241.718 2.451 20 30 BEEDRO c1nncn1[NH+]=C(Cc1ccccc1)C1CC1 ZINC000729144513 583961087 /nfs/dbraw/zinc/96/10/87/583961087.db2.gz CZXZLIHMJDVALR-UHFFFAOYSA-N 1 0 226.283 2.135 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000862448136 583962955 /nfs/dbraw/zinc/96/29/55/583962955.db2.gz WWIBKMQFWHTMKA-ZDUSSCGKSA-N 1 0 240.350 2.416 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862550508 583963743 /nfs/dbraw/zinc/96/37/43/583963743.db2.gz MOZFOPJSMQMLRK-KOLCDFICSA-N 1 0 231.286 2.048 20 30 BEEDRO C[N@@H+]1CCC(=NO[C@@H]2CCCCO2)CC1(C)C ZINC000863103912 583975551 /nfs/dbraw/zinc/97/55/51/583975551.db2.gz NYTWNITXOYCUMH-GFCCVEGCSA-N 1 0 240.347 2.390 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334455 588946304 /nfs/dbraw/zinc/94/63/04/588946304.db2.gz NQILRQZODWSFRN-ATGSNQNLSA-N 1 0 235.371 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000858334987 588947140 /nfs/dbraw/zinc/94/71/40/588947140.db2.gz JZFSXXVSKWEATL-CSPWOOARSA-N 1 0 247.313 2.467 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897528690 584006278 /nfs/dbraw/zinc/00/62/78/584006278.db2.gz PAAICHCRFOXTSV-LBPRGKRZSA-N 1 0 236.359 2.211 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[C@@H]1CCCC[C@@H]1O ZINC000897537239 584010289 /nfs/dbraw/zinc/01/02/89/584010289.db2.gz PYSONLLNLWMLGU-IHRRRGAJSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC[C@H](C)CN1CCO[C@](C)(C#N)C1 ZINC000897584459 584022155 /nfs/dbraw/zinc/02/21/55/584022155.db2.gz HDTQNQQVJPRHDD-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C1CCC(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000897620845 584032361 /nfs/dbraw/zinc/03/23/61/584032361.db2.gz LOOXOCFAENXQGZ-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2COCC[C@H]2OC)C1 ZINC000897890809 584057855 /nfs/dbraw/zinc/05/78/55/584057855.db2.gz ZVQHASWEPSSVLA-REWJHTLYSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1COCC[C@H]1OC ZINC000897890111 584057919 /nfs/dbraw/zinc/05/79/19/584057919.db2.gz IXVAEFPAQBIPLB-YNEHKIRRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)nn1 ZINC000897958216 584066591 /nfs/dbraw/zinc/06/65/91/584066591.db2.gz HYKFWFSWPPOUQZ-MRVWCRGKSA-N 1 0 246.358 2.132 20 30 BEEDRO C#CCCCCCC[NH2+]C1CC(CCO)C1 ZINC000898011687 584071759 /nfs/dbraw/zinc/07/17/59/584071759.db2.gz WFOCXJJEQYXEET-UHFFFAOYSA-N 1 0 223.360 2.321 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1OC ZINC000898029650 584077599 /nfs/dbraw/zinc/07/75/99/584077599.db2.gz YUIQPTVZNIBIKZ-QWRGUYRKSA-N 1 0 237.347 2.119 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000898036324 584079367 /nfs/dbraw/zinc/07/93/67/584079367.db2.gz CAODAKGZCZXEPL-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cn(C)cn2)C1 ZINC000898043289 584080954 /nfs/dbraw/zinc/08/09/54/584080954.db2.gz KWQFHYDRGTXRNR-RYUDHWBXSA-N 1 0 219.332 2.255 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(CCO)cc2)C1 ZINC000898170456 584088811 /nfs/dbraw/zinc/08/88/11/584088811.db2.gz GWBHRFRCPVNRLL-GJZGRUSLSA-N 1 0 244.338 2.003 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC[C@H](O)C1CC1 ZINC000898199865 584098910 /nfs/dbraw/zinc/09/89/10/584098910.db2.gz SOMXHINNAYHLSW-JQWIXIFHSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cncnc1OC ZINC000898245235 584100825 /nfs/dbraw/zinc/10/08/25/584100825.db2.gz YRXUYTVGQOODNA-UHFFFAOYSA-N 1 0 235.331 2.273 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2COC[C@@H]2C2CC2)CC1 ZINC000898379445 584113534 /nfs/dbraw/zinc/11/35/34/584113534.db2.gz GCSZORCJWYJEFZ-FUUBYGMNSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCCON=C(N)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000842049194 584118410 /nfs/dbraw/zinc/11/84/10/584118410.db2.gz PQCDCSSSUPOFMQ-RYUDHWBXSA-N 1 0 239.363 2.324 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C/C=C\Cl ZINC000898428008 584133178 /nfs/dbraw/zinc/13/31/78/584133178.db2.gz GLCRHRXJPMLJDG-SRMRHOMVSA-N 1 0 242.750 2.427 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnn2ccccc12 ZINC000898457743 584137031 /nfs/dbraw/zinc/13/70/31/584137031.db2.gz SSEVGBIOGSWNAC-UHFFFAOYSA-N 1 0 215.300 2.389 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(OC)ns1 ZINC000898460654 584137979 /nfs/dbraw/zinc/13/79/79/584137979.db2.gz QUNWGZFUUXEVLM-UHFFFAOYSA-N 1 0 212.318 2.206 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000898460995 584138297 /nfs/dbraw/zinc/13/82/97/584138297.db2.gz YAAPNMPAUQKLND-UHFFFAOYSA-N 1 0 230.315 2.023 20 30 BEEDRO C=C1CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000898698571 584155403 /nfs/dbraw/zinc/15/54/03/584155403.db2.gz ODPLVQZYYPSFJI-ZDUSSCGKSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899272911 584192732 /nfs/dbraw/zinc/19/27/32/584192732.db2.gz RQEQDEJVHYKUSR-SECBINFHSA-N 1 0 209.337 2.111 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000899891851 584248745 /nfs/dbraw/zinc/24/87/45/584248745.db2.gz SYQAXUWOIQPNNM-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)C1CCCC1 ZINC000900234020 584287984 /nfs/dbraw/zinc/28/79/84/584287984.db2.gz RHGHIOUQIFFHFK-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC(CC)CC ZINC000900586279 584331653 /nfs/dbraw/zinc/33/16/53/584331653.db2.gz BRFCBISPIDFROT-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@@H]([NH3+])c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900616026 584332441 /nfs/dbraw/zinc/33/24/41/584332441.db2.gz GBOLHFICVVGGNC-LLVKDONJSA-N 1 0 247.346 2.162 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCCC[NH+](C)C ZINC000900690750 584342110 /nfs/dbraw/zinc/34/21/10/584342110.db2.gz QQFHIZIARZBARP-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C1CCCC1 ZINC000900714382 584344611 /nfs/dbraw/zinc/34/46/11/584344611.db2.gz VPZXEXIASIVQPR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000900913240 584365970 /nfs/dbraw/zinc/36/59/70/584365970.db2.gz SOIYVHUOWSICTH-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(C)[NH2+]CCC(=O)Oc1ccc(C#N)cc1 ZINC000901147403 584391313 /nfs/dbraw/zinc/39/13/13/584391313.db2.gz VJAJTAWOSPKZGC-UHFFFAOYSA-N 1 0 246.310 2.242 20 30 BEEDRO CCNN=C(C)c1cccc(C[NH+](C)C)c1 ZINC000901281298 584414805 /nfs/dbraw/zinc/41/48/05/584414805.db2.gz MUMAVCJOSKCISP-UHFFFAOYSA-N 1 0 219.332 2.082 20 30 BEEDRO CCNN=C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000901282570 584415375 /nfs/dbraw/zinc/41/53/75/584415375.db2.gz LLJZDQMULMVFKD-AWEZNQCLSA-N 1 0 233.359 2.101 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@@H](C)CC[C@@H]1CC ZINC000901303222 584419335 /nfs/dbraw/zinc/41/93/35/584419335.db2.gz MZUJCPHSJQVWCJ-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000901670636 584477640 /nfs/dbraw/zinc/47/76/40/584477640.db2.gz YRHMJFVHGVKQQG-FDYHWXHSSA-N 1 0 217.316 2.208 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450822 584606796 /nfs/dbraw/zinc/60/67/96/584606796.db2.gz UMMJZCFMDCTYGV-SMDDNHRTSA-N 1 0 243.354 2.207 20 30 BEEDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902470770 584616214 /nfs/dbraw/zinc/61/62/14/584616214.db2.gz GQCFSYJFSGHUAX-AQNFWKISSA-N 1 0 241.338 2.102 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1csc(N)n1 ZINC000902498395 584619157 /nfs/dbraw/zinc/61/91/57/584619157.db2.gz GADPJGNSLUYKMF-MRVPVSSYSA-N 1 0 211.334 2.170 20 30 BEEDRO N#C[C@@H]1CCC[C@H](NC[C@@H]2CCCCC[NH2+]2)C1 ZINC000902482143 584623887 /nfs/dbraw/zinc/62/38/87/584623887.db2.gz JPOYHLAELHXKSF-RDBSUJKOSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccccc1NC ZINC000902586300 584639756 /nfs/dbraw/zinc/63/97/56/584639756.db2.gz VKWSVOYWZIVHHA-CYBMUJFWSA-N 1 0 234.343 2.145 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CC(C)(C)OC1=O ZINC000902669241 584654184 /nfs/dbraw/zinc/65/41/84/584654184.db2.gz JDQPJYAEOAKHIR-UHFFFAOYSA-N 1 0 240.347 2.463 20 30 BEEDRO CCOCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720532 584659772 /nfs/dbraw/zinc/65/97/72/584659772.db2.gz KFASBLJAJGRDKD-NSHDSACASA-N 1 0 233.315 2.030 20 30 BEEDRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720546 584659987 /nfs/dbraw/zinc/65/99/87/584659987.db2.gz KZTJVPYGEWHZEL-UWVGGRQHSA-N 1 0 203.289 2.402 20 30 BEEDRO C[C@@H]([NH2+]CC1CC1)c1cc(C#N)ccn1 ZINC000902737042 584662809 /nfs/dbraw/zinc/66/28/09/584662809.db2.gz OMBBSOPSZLRKOC-SECBINFHSA-N 1 0 201.273 2.014 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902784695 584666317 /nfs/dbraw/zinc/66/63/17/584666317.db2.gz XOWLFDRBURZAAV-GHMZBOCLSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@H]([NH2+]CC1CCC1)c1cc(C#N)ccn1 ZINC000902769219 584667285 /nfs/dbraw/zinc/66/72/85/584667285.db2.gz VUPPFFDZWGYXFX-JTQLQIEISA-N 1 0 215.300 2.404 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902802142 584670950 /nfs/dbraw/zinc/67/09/50/584670950.db2.gz IQOGFYVFMYPQGG-RISCZKNCSA-N 1 0 247.342 2.011 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902802472 584670998 /nfs/dbraw/zinc/67/09/98/584670998.db2.gz OHLGPHVLVXOZIY-WDMOLILDSA-N 1 0 247.342 2.011 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902786618 584671820 /nfs/dbraw/zinc/67/18/20/584671820.db2.gz QOIULRIMBBHSBV-GHMZBOCLSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)[C@H]1CCOC1 ZINC000902820090 584675825 /nfs/dbraw/zinc/67/58/25/584675825.db2.gz OLEJKSPETYOLRS-MDZLAQPJSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@H]([NH2+]CCC1CC1)c1cc(C#N)ccn1 ZINC000902871934 584683928 /nfs/dbraw/zinc/68/39/28/584683928.db2.gz BPYIZIOZLAXXLJ-JTQLQIEISA-N 1 0 215.300 2.404 20 30 BEEDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902886723 584688838 /nfs/dbraw/zinc/68/88/38/584688838.db2.gz TXQLKSPHSARBGN-UWVGGRQHSA-N 1 0 235.356 2.355 20 30 BEEDRO C[C@@H](CO)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902889349 584689650 /nfs/dbraw/zinc/68/96/50/584689650.db2.gz HXSKRNODTOFJLP-VXGBXAGGSA-N 1 0 247.342 2.012 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902978965 584708069 /nfs/dbraw/zinc/70/80/69/584708069.db2.gz MZANDKXDWBKYJJ-ODXJTPSBSA-N 1 0 246.354 2.083 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903015966 584713132 /nfs/dbraw/zinc/71/31/32/584713132.db2.gz HWFFBDQOJWBAAJ-MDZLAQPJSA-N 1 0 245.326 2.171 20 30 BEEDRO CC[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)OC ZINC000902997339 584714439 /nfs/dbraw/zinc/71/44/39/584714439.db2.gz SVIXOSFXPNBCSD-PWSUYJOCSA-N 1 0 233.315 2.029 20 30 BEEDRO CC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)(C)O ZINC000903000399 584715383 /nfs/dbraw/zinc/71/53/83/584715383.db2.gz JRTAITSDASVKPW-ZWNOBZJWSA-N 1 0 247.342 2.153 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)(C)O ZINC000903000396 584715725 /nfs/dbraw/zinc/71/57/25/584715725.db2.gz JRTAITSDASVKPW-GWCFXTLKSA-N 1 0 247.342 2.153 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903006423 584716591 /nfs/dbraw/zinc/71/65/91/584716591.db2.gz HJILAGSSXIYBBB-QWRGUYRKSA-N 1 0 247.342 2.153 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cc(C#N)ccn1 ZINC000903006869 584716626 /nfs/dbraw/zinc/71/66/26/584716626.db2.gz PEQVHDXNINRBRF-GXFFZTMASA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903006421 584716986 /nfs/dbraw/zinc/71/69/86/584716986.db2.gz HJILAGSSXIYBBB-GHMZBOCLSA-N 1 0 247.342 2.153 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903008553 584717588 /nfs/dbraw/zinc/71/75/88/584717588.db2.gz QWSQWPWSBPWYCX-VTPLQMEGSA-N 1 0 221.344 2.498 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C#N)c1 ZINC000903014113 584718193 /nfs/dbraw/zinc/71/81/93/584718193.db2.gz NKUYLQKTGGLREW-HZSPNIEDSA-N 1 0 230.311 2.122 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@]1(C)CCCO1 ZINC000903033274 584718519 /nfs/dbraw/zinc/71/85/19/584718519.db2.gz RPUILOJNKCXSHH-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO COCC1(C[NH2+][C@H](C)c2cc(C#N)ccn2)CC1 ZINC000903043155 584720854 /nfs/dbraw/zinc/72/08/54/584720854.db2.gz QCZGHBIWUXQWQL-LLVKDONJSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(C#N)ccn1 ZINC000903025696 584721258 /nfs/dbraw/zinc/72/12/58/584721258.db2.gz HHNYGPCNRKYAGQ-SKDRFNHKSA-N 1 0 213.284 2.156 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)nn1 ZINC000903026984 584721560 /nfs/dbraw/zinc/72/15/60/584721560.db2.gz YARGYQKKDKTGQT-CLLJXQQHSA-N 1 0 246.358 2.132 20 30 BEEDRO COC(C)(C)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903080014 584724603 /nfs/dbraw/zinc/72/46/03/584724603.db2.gz HNMWPDAVWMESIW-NSHDSACASA-N 1 0 247.342 2.419 20 30 BEEDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C#N)cn1 ZINC000903101752 584727077 /nfs/dbraw/zinc/72/70/77/584727077.db2.gz LSCSGLDCRCJHJU-NSHDSACASA-N 1 0 247.342 2.161 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@]1(C)CCCO1 ZINC000903101127 584727080 /nfs/dbraw/zinc/72/70/80/584727080.db2.gz ANTLMYUPJXKNCQ-JQWIXIFHSA-N 1 0 210.321 2.083 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903105196 584727926 /nfs/dbraw/zinc/72/79/26/584727926.db2.gz ADXIWUBVQUCVJE-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCO1 ZINC000903108384 584728836 /nfs/dbraw/zinc/72/88/36/584728836.db2.gz BJUPQTDKVVCTAS-OLZOCXBDSA-N 1 0 234.343 2.394 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000903300944 584745049 /nfs/dbraw/zinc/74/50/49/584745049.db2.gz LFWLYZXQOHGNMF-RWMBFGLXSA-N 1 0 210.365 2.413 20 30 BEEDRO C[C@@H]1[C@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1C ZINC000903301800 584744487 /nfs/dbraw/zinc/74/44/87/584744487.db2.gz UJTYIDFMSIFACN-NELGMTEASA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)C1CC1 ZINC000903301857 584744858 /nfs/dbraw/zinc/74/48/58/584744858.db2.gz WERSUMCREACETB-BNOWGMLFSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN2C)C1 ZINC000903315841 584748948 /nfs/dbraw/zinc/74/89/48/584748948.db2.gz KJBPWMRFLFHREZ-FRRDWIJNSA-N 1 0 208.349 2.025 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C#N)cc1 ZINC000903316605 584750007 /nfs/dbraw/zinc/75/00/07/584750007.db2.gz GEUUSCLNQBNOJB-LSDHHAIUSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CC)CN1CCOCC1 ZINC000903344097 584752611 /nfs/dbraw/zinc/75/26/11/584752611.db2.gz UJFNEUKGGNZGIE-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(C#N)c(F)c1 ZINC000903395883 584757086 /nfs/dbraw/zinc/75/70/86/584757086.db2.gz OBEYGUQCGOTRJE-BFVZDQMLSA-N 1 0 248.301 2.383 20 30 BEEDRO CC(C)[C@](C)(CN)[NH2+]CC1CCC(C#N)CC1 ZINC000903427325 584761614 /nfs/dbraw/zinc/76/16/14/584761614.db2.gz WGRWXLVSIYDBNP-RUXDESIVSA-N 1 0 237.391 2.279 20 30 BEEDRO N#Cc1cc(Cl)cc(CN2CCC[C@@H]2C[NH3+])c1 ZINC000903424701 584764418 /nfs/dbraw/zinc/76/44/18/584764418.db2.gz CDKSYZNVDXIRMN-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO N#CC1CCC(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903424879 584765384 /nfs/dbraw/zinc/76/53/84/584765384.db2.gz KBZGHCBPTGSWJN-CVSAEHQPSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CC1CCC(CN2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC000903459328 584766157 /nfs/dbraw/zinc/76/61/57/584766157.db2.gz GUPFBOFXQSNFAC-NRXISQOPSA-N 1 0 247.386 2.144 20 30 BEEDRO N#CC1CCC(CN2CCC3(CC[NH2+]3)CC2)CC1 ZINC000903460182 584766736 /nfs/dbraw/zinc/76/67/36/584766736.db2.gz ZHIARFSYMUXVRT-UHFFFAOYSA-N 1 0 247.386 2.144 20 30 BEEDRO CC(C)[C@H]1CNCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903464124 584767521 /nfs/dbraw/zinc/76/75/21/584767521.db2.gz AQRXUFCQWDBLPM-YMAMQOFZSA-N 1 0 249.402 2.246 20 30 BEEDRO CC(C)(C)[C@H](CN)[NH2+]CC1CCC(C#N)CC1 ZINC000903454802 584773506 /nfs/dbraw/zinc/77/35/06/584773506.db2.gz JZLASXAQZGNAPH-BPCQOVAHSA-N 1 0 237.391 2.279 20 30 BEEDRO N#CC1CCC(CN2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000903476198 584777263 /nfs/dbraw/zinc/77/72/63/584777263.db2.gz QDWPZDUMQGPMGF-CVSAEHQPSA-N 1 0 247.386 2.143 20 30 BEEDRO CCN(CC1CCC(C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000903481872 584777965 /nfs/dbraw/zinc/77/79/65/584777965.db2.gz PBNWUPCXCFXJAZ-RUXDESIVSA-N 1 0 235.375 2.000 20 30 BEEDRO C[NH2+]C[C@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000903482738 584778947 /nfs/dbraw/zinc/77/89/47/584778947.db2.gz RIVNXXIKFZQCAB-YMAMQOFZSA-N 1 0 249.402 2.390 20 30 BEEDRO C[NH2+]CCN(CC1CCC(C#N)CC1)C(C)C ZINC000903575942 584783837 /nfs/dbraw/zinc/78/38/37/584783837.db2.gz WJHAEIOLUXAVGE-UHFFFAOYSA-N 1 0 237.391 2.246 20 30 BEEDRO N#CC1(CCCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000903748095 584794716 /nfs/dbraw/zinc/79/47/16/584794716.db2.gz YUGGTBYEPJCLJY-OKILXGFUSA-N 1 0 247.386 2.002 20 30 BEEDRO C[C@@H]1CN(CCCCC2(C#N)CCC2)C[C@H]1[NH3+] ZINC000903751251 584795762 /nfs/dbraw/zinc/79/57/62/584795762.db2.gz HHUDOUWOHHWWHH-CHWSQXEVSA-N 1 0 235.375 2.130 20 30 BEEDRO C=CC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793886 584799041 /nfs/dbraw/zinc/79/90/41/584799041.db2.gz WSWADAWLMBRJOM-UHFFFAOYSA-N 1 0 230.355 2.165 20 30 BEEDRO C[C@@H](N[C@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949450 584830122 /nfs/dbraw/zinc/83/01/22/584830122.db2.gz ATVBGDCTPXZVNR-YWPYICTPSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000903950563 584831055 /nfs/dbraw/zinc/83/10/55/584831055.db2.gz OGWOJMVGEVQEHM-JTQLQIEISA-N 1 0 205.305 2.108 20 30 BEEDRO C=CCCc1noc(C(C)(C)[C@@H]([NH3+])C(C)C)n1 ZINC000904123835 584842554 /nfs/dbraw/zinc/84/25/54/584842554.db2.gz QZWHPPUJYPRZKL-NSHDSACASA-N 1 0 237.347 2.449 20 30 BEEDRO CCCCCCN(O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000904207105 584846534 /nfs/dbraw/zinc/84/65/34/584846534.db2.gz QPGDZUCFSAODFV-LBPRGKRZSA-N 1 0 242.363 2.126 20 30 BEEDRO CCCCN(O)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000904212239 584854451 /nfs/dbraw/zinc/85/44/51/584854451.db2.gz MPIBLBZEZPSFEO-JTQLQIEISA-N 1 0 230.352 2.171 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000877051688 584889011 /nfs/dbraw/zinc/88/90/11/584889011.db2.gz MBBCJUOJITUYEF-MEDUHNTESA-N 1 0 244.404 2.063 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]CCC(C)(C)SC ZINC000877129217 584890950 /nfs/dbraw/zinc/89/09/50/584890950.db2.gz AAPYESDDBZPTMX-NSHDSACASA-N 1 0 231.405 2.292 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(C(F)F)C1)C1CCOCC1 ZINC000827559854 584899456 /nfs/dbraw/zinc/89/94/56/584899456.db2.gz JZSJNZBRYNDCMM-HTAVTVPLSA-N 1 0 243.297 2.048 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1C[C@H]1C ZINC000840746406 584904753 /nfs/dbraw/zinc/90/47/53/584904753.db2.gz CYBDRZGAAIMVIU-HONMWMINSA-N 1 0 229.327 2.477 20 30 BEEDRO COCC#CC[NH+]1CCC2(CCCC2)CC1 ZINC000762925309 584917765 /nfs/dbraw/zinc/91/77/65/584917765.db2.gz DSRRYMFFNXMAQS-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C=C1CC[NH+](CCC(=O)OCCCC)CC1 ZINC000731103870 584922063 /nfs/dbraw/zinc/92/20/63/584922063.db2.gz LQHMADIUMJDYHY-UHFFFAOYSA-N 1 0 225.332 2.372 20 30 BEEDRO CCC[NH+](CCC)CCCC(=O)O[C@H](C)C#N ZINC000731905501 584931177 /nfs/dbraw/zinc/93/11/77/584931177.db2.gz MIACZOIPDRBPRS-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO COC[C@H](C)N[NH+]=C(C)c1c(C)cc(N)cc1C ZINC000884447091 584953366 /nfs/dbraw/zinc/95/33/66/584953366.db2.gz KZQXASAXZUBENP-NSHDSACASA-N 1 0 249.358 2.234 20 30 BEEDRO C=CC[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000735067634 584972063 /nfs/dbraw/zinc/97/20/63/584972063.db2.gz MOULTHAKCQJLJW-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@H](C)CO[NH+]=Cc1ccncc1N ZINC000819812838 585007889 /nfs/dbraw/zinc/00/78/89/585007889.db2.gz ICULKIHQOBUUTO-VIFPVBQESA-N 1 0 207.277 2.060 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824106187 585028666 /nfs/dbraw/zinc/02/86/66/585028666.db2.gz FUAPCGYYJJOJHU-BETUJISGSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)COC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000838463594 585059050 /nfs/dbraw/zinc/05/90/50/585059050.db2.gz QYQURVSJNMLNNT-UHFFFAOYSA-N 1 0 237.343 2.370 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000103121787 585063180 /nfs/dbraw/zinc/06/31/80/585063180.db2.gz ROHFKMVBPYCCOZ-GFCCVEGCSA-N 1 0 249.420 2.370 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000838913970 585077796 /nfs/dbraw/zinc/07/77/96/585077796.db2.gz YBIVREVOZGKPOJ-HUUCEWRRSA-N 1 0 229.323 2.112 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838961138 585082265 /nfs/dbraw/zinc/08/22/65/585082265.db2.gz WKAVTQXQMBHEIG-UHFFFAOYSA-N 1 0 246.379 2.026 20 30 BEEDRO C=CCC[N@@H+]1CCCC[C@@H]1CN1CCCC1=O ZINC000739915503 585085622 /nfs/dbraw/zinc/08/56/22/585085622.db2.gz PVNIIEJYYCUJAQ-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C#CCC[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000839040357 585086397 /nfs/dbraw/zinc/08/63/97/585086397.db2.gz XUDBQFLSGWULAX-NSHDSACASA-N 1 0 242.278 2.293 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@@H](OCC)C2)cc1 ZINC000839147513 585092325 /nfs/dbraw/zinc/09/23/25/585092325.db2.gz LFCSSUZEQZXUPY-GASCZTMLSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839190822 585097412 /nfs/dbraw/zinc/09/74/12/585097412.db2.gz DGKHLRSANROEDV-KBPBESRZSA-N 1 0 229.348 2.358 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccccc1O ZINC000839162936 585098104 /nfs/dbraw/zinc/09/81/04/585098104.db2.gz FGXABYRMZYBDML-UHFFFAOYSA-N 1 0 218.300 2.422 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCO[C@H]1CC ZINC000839197738 585098824 /nfs/dbraw/zinc/09/88/24/585098824.db2.gz CJXVCZMPUDTXPY-BDAKNGLRSA-N 1 0 234.137 2.052 20 30 BEEDRO C=C(Cl)C[N@@H+](C)C1CCC(CO)CC1 ZINC000839524086 585105723 /nfs/dbraw/zinc/10/57/23/585105723.db2.gz DEJTXZMGDXRVDA-UHFFFAOYSA-N 1 0 217.740 2.222 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](CCOC)c1ccccc1 ZINC000839501023 585105908 /nfs/dbraw/zinc/10/59/08/585105908.db2.gz TUPIIQFBBJHSSE-INIZCTEOSA-N 1 0 241.334 2.333 20 30 BEEDRO C=C(C)COC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000741028142 585109504 /nfs/dbraw/zinc/10/95/04/585109504.db2.gz CCGRTHSJAVNEFC-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CC[N@@H+]1CCC(N=Nc2ccccn2)[C@H](C)C1 ZINC000741454655 585114022 /nfs/dbraw/zinc/11/40/22/585114022.db2.gz DRUOUKIBDLWGSH-LLVKDONJSA-N 1 0 232.331 2.211 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(F)cn2)CC[N@@H+]1C ZINC000741464035 585114313 /nfs/dbraw/zinc/11/43/13/585114313.db2.gz KTQXLWCQWBNUNU-VIFPVBQESA-N 1 0 236.294 2.103 20 30 BEEDRO C[C@@H]1C[C@@H](/N=C/c2ccccc2O)CC[N@@H+]1C ZINC000741464285 585114348 /nfs/dbraw/zinc/11/43/48/585114348.db2.gz NMTGZTFFERXBEF-KURUJGOKSA-N 1 0 232.327 2.294 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+]Cc1cccc(C#N)c1 ZINC000742387022 585125568 /nfs/dbraw/zinc/12/55/68/585125568.db2.gz OTUJEVVKGSLPFH-CYBMUJFWSA-N 1 0 243.354 2.132 20 30 BEEDRO C#CCN(CC#CC)Cc1cc(F)ccc1OC ZINC000743852276 585140660 /nfs/dbraw/zinc/14/06/60/585140660.db2.gz JJONRTVMSNVQJX-UHFFFAOYSA-N 1 0 245.297 2.293 20 30 BEEDRO C=C(Cl)C[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000839527848 585142010 /nfs/dbraw/zinc/14/20/10/585142010.db2.gz SVHWITKVALUVEP-PWSUYJOCSA-N 1 0 245.750 2.450 20 30 BEEDRO CC[N@@H+]1CCC(=NOCc2cccnc2)[C@H](C)C1 ZINC000746585343 585170313 /nfs/dbraw/zinc/17/03/13/585170313.db2.gz CSMGFUPJQIRWRU-GFCCVEGCSA-N 1 0 247.342 2.316 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC23CCC3)C1 ZINC000886663010 585172584 /nfs/dbraw/zinc/17/25/84/585172584.db2.gz RELILGVQKLTNRT-UONOGXRCSA-N 1 0 232.371 2.006 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000886819770 585179952 /nfs/dbraw/zinc/17/99/52/585179952.db2.gz WYVUYBVJQXHMMF-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H](O)c2ccco2)c1 ZINC000748100323 585187143 /nfs/dbraw/zinc/18/71/43/585187143.db2.gz KARYTKHVVHBINY-LLVKDONJSA-N 1 0 248.307 2.036 20 30 BEEDRO C=CC[N@H+](Cc1c(C)nn(C)c1C)C(C)C ZINC000749905155 585207944 /nfs/dbraw/zinc/20/79/44/585207944.db2.gz VFVHPOFDFAFPNX-UHFFFAOYSA-N 1 0 221.348 2.433 20 30 BEEDRO C#CC[NH+](CC#C)CCCOc1ccccc1C ZINC000752075791 585241567 /nfs/dbraw/zinc/24/15/67/585241567.db2.gz OYQMADGEIORLCQ-UHFFFAOYSA-N 1 0 241.334 2.332 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1c(F)cccc1F ZINC000752166504 585243443 /nfs/dbraw/zinc/24/34/43/585243443.db2.gz WJUBLKRGYUAYJC-MRVPVSSYSA-N 1 0 239.269 2.314 20 30 BEEDRO C#CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000752857240 585250922 /nfs/dbraw/zinc/25/09/22/585250922.db2.gz RWAYOLNLPYHILE-UHFFFAOYSA-N 1 0 222.376 2.064 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000753768927 585268469 /nfs/dbraw/zinc/26/84/69/585268469.db2.gz ONOMXEHJQJBSOB-CYBMUJFWSA-N 1 0 246.354 2.053 20 30 BEEDRO C#CCC[N@@H+](CCO)C1CCC(CC)CC1 ZINC000753816170 585270344 /nfs/dbraw/zinc/27/03/44/585270344.db2.gz ROMWJTKENNSVAX-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccnc(N(C)C)c1 ZINC000754245158 585280967 /nfs/dbraw/zinc/28/09/67/585280967.db2.gz WJNOMXTWJDXFJX-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C#CCCN(CCC)CC(=O)OC(C)(C)C ZINC000755315553 585297590 /nfs/dbraw/zinc/29/75/90/585297590.db2.gz JKHIDKSYFLCJAE-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO Cc1[nH]cnc1C=NNc1ccc(C#N)cc1 ZINC000755652085 585303398 /nfs/dbraw/zinc/30/33/98/585303398.db2.gz PYNQEJKCEHVMBA-UHFFFAOYSA-N 1 0 225.255 2.036 20 30 BEEDRO COC[C@@H](C)C=[NH+]n1cnc2ccccc21 ZINC000755891777 585309654 /nfs/dbraw/zinc/30/96/54/585309654.db2.gz GTFRMKNPLDADRK-JTQLQIEISA-N 1 0 217.272 2.153 20 30 BEEDRO CC#CCCNC(=O)C[N@@H+](C)CCCCCC ZINC000756142294 585315159 /nfs/dbraw/zinc/31/51/59/585315159.db2.gz QIWIOJNJEDMNGA-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C=C1CCCC1 ZINC000756547180 585320838 /nfs/dbraw/zinc/32/08/38/585320838.db2.gz JKFDTSIIPIVLBT-AWEZNQCLSA-N 1 0 247.338 2.128 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1CCCCC1 ZINC000756545566 585320895 /nfs/dbraw/zinc/32/08/95/585320895.db2.gz ZBHOZSMLZSURHQ-AWEZNQCLSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNc1ncccn1 ZINC000756643354 585321945 /nfs/dbraw/zinc/32/19/45/585321945.db2.gz ULGWRGGOMSIRHR-GFCCVEGCSA-N 1 0 234.347 2.223 20 30 BEEDRO C=C[C@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC000757011118 585326547 /nfs/dbraw/zinc/32/65/47/585326547.db2.gz XUWWZPICLPBUEE-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CC[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1 ZINC000839540194 585329904 /nfs/dbraw/zinc/32/99/04/585329904.db2.gz HWMBMJYPKIQRQR-GXTWGEPZSA-N 1 0 217.312 2.112 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc(C)cn1 ZINC000839580402 585331095 /nfs/dbraw/zinc/33/10/95/585331095.db2.gz HQQSDUVPYOMXPQ-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO CC(C)[C@H]([NH2+]CCC#N)[C@@H](O)c1ccccc1 ZINC000839600561 585331486 /nfs/dbraw/zinc/33/14/86/585331486.db2.gz FCHTWACOHJSIKE-KBPBESRZSA-N 1 0 232.327 2.248 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H](O)c1ccccc1 ZINC000839613585 585332013 /nfs/dbraw/zinc/33/20/13/585332013.db2.gz INRAUHMZSDKYAT-KFWWJZLASA-N 1 0 247.338 2.043 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=C)Cl ZINC000839612697 585332111 /nfs/dbraw/zinc/33/21/11/585332111.db2.gz CTLYACJIGZQEQP-ZJUUUORDSA-N 1 0 201.697 2.062 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000839615389 585332290 /nfs/dbraw/zinc/33/22/90/585332290.db2.gz UERTVZMVLPFBJT-VXGBXAGGSA-N 1 0 229.751 2.126 20 30 BEEDRO CCCCCCC[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000839648736 585333303 /nfs/dbraw/zinc/33/33/03/585333303.db2.gz DFGBJDJQYTWGMW-UONOGXRCSA-N 1 0 243.391 2.334 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000839670870 585336227 /nfs/dbraw/zinc/33/62/27/585336227.db2.gz IQLQLXORLSUUNQ-STQMWFEESA-N 1 0 229.364 2.038 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839678963 585337225 /nfs/dbraw/zinc/33/72/25/585337225.db2.gz BHPMEONNYQHOTN-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO CCOc1ccc(C[NH2+]C[C@H](C)C#N)c(O)c1 ZINC000757906083 585346804 /nfs/dbraw/zinc/34/68/04/585346804.db2.gz IESNPATUKZUXGU-SNVBAGLBSA-N 1 0 234.299 2.040 20 30 BEEDRO C[C@H]1CC(N=NC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000758133803 585350388 /nfs/dbraw/zinc/35/03/88/585350388.db2.gz UMOCKWZPLXMVLU-LBPRGKRZSA-N 1 0 243.354 2.389 20 30 BEEDRO CC[N@H+](Cn1cccc(C#N)c1=O)[C@H](C)C(C)C ZINC000758198907 585351460 /nfs/dbraw/zinc/35/14/60/585351460.db2.gz XQVUAAFGDDIUBC-GFCCVEGCSA-N 1 0 247.342 2.044 20 30 BEEDRO CCc1ccc(C=NNCC[NH+]2CCCCC2)o1 ZINC000760242254 585387184 /nfs/dbraw/zinc/38/71/84/585387184.db2.gz HDAXNNUPQINPBR-UHFFFAOYSA-N 1 0 249.358 2.251 20 30 BEEDRO C#CCC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000760815437 585398037 /nfs/dbraw/zinc/39/80/37/585398037.db2.gz AWEGPCDNUYSBAH-HUUCEWRRSA-N 1 0 240.350 2.078 20 30 BEEDRO C#CCC[N@@H+](C)CCc1ccccc1OC ZINC000760832779 585398227 /nfs/dbraw/zinc/39/82/27/585398227.db2.gz XPCDSSFSEZVXOO-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000760842752 585399418 /nfs/dbraw/zinc/39/94/18/585399418.db2.gz AKGVXLQUAJCAHC-VXGBXAGGSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1C[C@](C)(OC)C1(C)C ZINC000760842028 585399470 /nfs/dbraw/zinc/39/94/70/585399470.db2.gz UQEZFOLKTOGGPI-YPMHNXCESA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[NH+]1CCC(OC(C)(C)C)CC1 ZINC000760846953 585399818 /nfs/dbraw/zinc/39/98/18/585399818.db2.gz JTRVMEXJCNCZCW-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1c(C)cccc1C ZINC000761111703 585409477 /nfs/dbraw/zinc/40/94/77/585409477.db2.gz ZPUBXJHTBZQMAM-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO C=CCCCCCCNC(=O)C(=C)C[NH+](C)C ZINC000805220410 585411585 /nfs/dbraw/zinc/41/15/85/585411585.db2.gz PRICTIIGDLEEEZ-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(Cl)nc2)C[N@@H+]1C ZINC000761812775 585419395 /nfs/dbraw/zinc/41/93/95/585419395.db2.gz ORZLQAZBPMDYEH-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@H](C2CC2)CC1=O ZINC000762494900 585433279 /nfs/dbraw/zinc/43/32/79/585433279.db2.gz JZOSZJAOIXSZJD-CYBMUJFWSA-N 1 0 236.359 2.100 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc(OCC)n1 ZINC000763448502 585448366 /nfs/dbraw/zinc/44/83/66/585448366.db2.gz SMZKGOWHFHREMB-UHFFFAOYSA-N 1 0 232.327 2.373 20 30 BEEDRO CCCCCCC[N@H+](C)[C@]1(CO)CCOC1 ZINC000763892022 585456195 /nfs/dbraw/zinc/45/61/95/585456195.db2.gz UJCNQQWUPZJVFF-ZDUSSCGKSA-N 1 0 229.364 2.040 20 30 BEEDRO CCCCCCC[N@H+](C)[C@@]1(CO)CCOC1 ZINC000763892020 585456240 /nfs/dbraw/zinc/45/62/40/585456240.db2.gz UJCNQQWUPZJVFF-CYBMUJFWSA-N 1 0 229.364 2.040 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000764154084 585459945 /nfs/dbraw/zinc/45/99/45/585459945.db2.gz YCYQWBRSWHIJIP-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)c1ccccc1 ZINC000764207009 585461590 /nfs/dbraw/zinc/46/15/90/585461590.db2.gz KALSOWNFXHELLE-UHFFFAOYSA-N 1 0 232.327 2.157 20 30 BEEDRO C#CCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000764231078 585462226 /nfs/dbraw/zinc/46/22/26/585462226.db2.gz KXAXIQVKJZMSAJ-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCc2c1cccc2C ZINC000764462742 585465962 /nfs/dbraw/zinc/46/59/62/585465962.db2.gz NSOXBVJXZGUKCU-UHFFFAOYSA-N 1 0 244.338 2.002 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC(CC)(CC)CC ZINC000764572223 585468054 /nfs/dbraw/zinc/46/80/54/585468054.db2.gz LEPXILFVKUCDJV-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)[C@H]1CCCCC1=[NH+]n1cnnc1 ZINC000764641804 585469990 /nfs/dbraw/zinc/46/99/90/585469990.db2.gz SDCPDXISJNVQKD-SNVBAGLBSA-N 1 0 206.293 2.328 20 30 BEEDRO C[C@@H]1CC(=NOCC(F)(F)F)CC[N@@H+]1C ZINC000764835167 585475296 /nfs/dbraw/zinc/47/52/96/585475296.db2.gz IYQRUHYEYDRUJK-SSDOTTSWSA-N 1 0 224.226 2.035 20 30 BEEDRO CC#CCC[N@@H+](CC)CCc1ccccn1 ZINC000764974293 585478443 /nfs/dbraw/zinc/47/84/43/585478443.db2.gz YLTVWJAJSXBQAZ-UHFFFAOYSA-N 1 0 216.328 2.359 20 30 BEEDRO Cc1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)nc1 ZINC000765572501 585489886 /nfs/dbraw/zinc/48/98/86/585489886.db2.gz SOYMBGJANMNPDE-LBPRGKRZSA-N 1 0 230.315 2.026 20 30 BEEDRO N#Cc1ccc(N=NC2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765573736 585490109 /nfs/dbraw/zinc/49/01/09/585490109.db2.gz QJLVMRMFWSZDFY-AWEZNQCLSA-N 1 0 240.310 2.194 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOc2cccnc2)C1 ZINC000765924899 585493561 /nfs/dbraw/zinc/49/35/61/585493561.db2.gz AHXNNIMDCGKRNV-STQMWFEESA-N 1 0 245.326 2.132 20 30 BEEDRO CC[C@H](C(=O)O[C@@H](C#N)C(C)C)[NH+](CC)CC ZINC000765967077 585493897 /nfs/dbraw/zinc/49/38/97/585493897.db2.gz OAMRAOXWAVSGAW-NEPJUHHUSA-N 1 0 240.347 2.198 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCCNc1ncccn1 ZINC000766515311 585503696 /nfs/dbraw/zinc/50/36/96/585503696.db2.gz CJBHYAAONKRRHT-STQMWFEESA-N 1 0 248.374 2.469 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCCNc1ncccn1 ZINC000766515306 585503717 /nfs/dbraw/zinc/50/37/17/585503717.db2.gz CJBHYAAONKRRHT-OLZOCXBDSA-N 1 0 248.374 2.469 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000766665420 585504633 /nfs/dbraw/zinc/50/46/33/585504633.db2.gz FUCUMVQDHLJNEM-LBPRGKRZSA-N 1 0 217.312 2.463 20 30 BEEDRO C#CC[N@@H+](C[C@@H](C)CO)[C@H]1CCc2ccccc21 ZINC000766896076 585509654 /nfs/dbraw/zinc/50/96/54/585509654.db2.gz PBONUXPGLYMVOU-CJNGLKHVSA-N 1 0 243.350 2.238 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)CO)[C@H]1CCc2ccccc21 ZINC000766896073 585509679 /nfs/dbraw/zinc/50/96/79/585509679.db2.gz PBONUXPGLYMVOU-BBRMVZONSA-N 1 0 243.350 2.238 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000766903208 585510632 /nfs/dbraw/zinc/51/06/32/585510632.db2.gz AQCUGLDPSZFTAC-CQSZACIVSA-N 1 0 231.343 2.279 20 30 BEEDRO C#CCCCN1CCO[C@H](c2cccc(O)c2)C1 ZINC000766904504 585510765 /nfs/dbraw/zinc/51/07/65/585510765.db2.gz GHSBJBJYXBKONP-HNNXBMFYSA-N 1 0 245.322 2.179 20 30 BEEDRO C#CCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000766907276 585511044 /nfs/dbraw/zinc/51/10/44/585511044.db2.gz YDPNHVPTXDKHSQ-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCCC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000766920952 585511970 /nfs/dbraw/zinc/51/19/70/585511970.db2.gz SEVZZUBVMRNSCT-UHFFFAOYSA-N 1 0 244.329 2.061 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000766930257 585512103 /nfs/dbraw/zinc/51/21/03/585512103.db2.gz DBFJKYZUEZUUHS-ZDUSSCGKSA-N 1 0 231.343 2.143 20 30 BEEDRO C=C1CC[NH+](CC(OCC)OCC)CC1 ZINC000767782904 585526067 /nfs/dbraw/zinc/52/60/67/585526067.db2.gz CBIBRFMTEHKCBR-UHFFFAOYSA-N 1 0 213.321 2.038 20 30 BEEDRO C=CC[N@H+](Cc1ccc2c(c1)nnn2C)C(C)C ZINC000768533716 585540065 /nfs/dbraw/zinc/54/00/65/585540065.db2.gz JTNBQRSSOXGRDM-UHFFFAOYSA-N 1 0 244.342 2.365 20 30 BEEDRO C=CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C(C)C ZINC000768548093 585540294 /nfs/dbraw/zinc/54/02/94/585540294.db2.gz WHMYBQOHWWTVTA-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO C#CCCC[N@@H+]1CC[S@](=O)C(CC)(CC)C1 ZINC000769231128 585551548 /nfs/dbraw/zinc/55/15/48/585551548.db2.gz YCYFFZQKANAMCK-INIZCTEOSA-N 1 0 241.400 2.023 20 30 BEEDRO CCCN[NH+]=C(C)c1ccccc1N(C)C ZINC000769569913 585559605 /nfs/dbraw/zinc/55/96/05/585559605.db2.gz LDVAJYCJMZZKOM-UHFFFAOYSA-N 1 0 219.332 2.476 20 30 BEEDRO CC[C@@H]1C[C@H](C)CCC1=[NH+]n1cnnc1 ZINC000769568381 585559841 /nfs/dbraw/zinc/55/98/41/585559841.db2.gz YXFXVHZMGPNQQJ-NXEZZACHSA-N 1 0 206.293 2.328 20 30 BEEDRO CC[C@H]1C[C@H](C)CCC1=[NH+]n1cnnc1 ZINC000769568385 585559906 /nfs/dbraw/zinc/55/99/06/585559906.db2.gz YXFXVHZMGPNQQJ-ZJUUUORDSA-N 1 0 206.293 2.328 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccnc(F)c2)CC1 ZINC000859244327 589023640 /nfs/dbraw/zinc/02/36/40/589023640.db2.gz JYWHUYDFGAEKPM-UHFFFAOYSA-N 1 0 233.290 2.346 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCOc1ccc(OCC)cc1 ZINC000769962168 585567523 /nfs/dbraw/zinc/56/75/23/585567523.db2.gz ZDNLBQDLGCOJNN-CYBMUJFWSA-N 1 0 247.338 2.418 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc2nsnc21 ZINC000769960670 585567594 /nfs/dbraw/zinc/56/75/94/585567594.db2.gz GDKFUAWCFBIXBU-VIFPVBQESA-N 1 0 231.324 2.145 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000769975999 585568229 /nfs/dbraw/zinc/56/82/29/585568229.db2.gz SZCHHJKKIRTQOD-GFCCVEGCSA-N 1 0 216.328 2.206 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1C ZINC000769975719 585568344 /nfs/dbraw/zinc/56/83/44/585568344.db2.gz KAOSMRGKBWPFKJ-LBPRGKRZSA-N 1 0 212.296 2.320 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000810027014 585571538 /nfs/dbraw/zinc/57/15/38/585571538.db2.gz UPCUSPDWWQOSMR-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000770672563 585579311 /nfs/dbraw/zinc/57/93/11/585579311.db2.gz AIQQTIWULXCXSO-CMPLNLGQSA-N 1 0 246.310 2.183 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCC[C@H](C)C1 ZINC000771445629 585594350 /nfs/dbraw/zinc/59/43/50/585594350.db2.gz DRQRMJDXTBKVTH-KBPBESRZSA-N 1 0 203.329 2.381 20 30 BEEDRO CC(C)CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000771561921 585596310 /nfs/dbraw/zinc/59/63/10/585596310.db2.gz NLCAICBURDIDQL-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO C#CC[N@@H+](CCC(C)=O)C1CCCCC1 ZINC000771805406 585600617 /nfs/dbraw/zinc/60/06/17/585600617.db2.gz CYYKEOOVNYYUBF-UHFFFAOYSA-N 1 0 207.317 2.233 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000771860410 585602771 /nfs/dbraw/zinc/60/27/71/585602771.db2.gz YBIWZRPCNZCDPT-ZFWWWQNUSA-N 1 0 229.323 2.377 20 30 BEEDRO CC#CCCCC(=O)OCC[NH+](CC)CC ZINC000772363137 585613013 /nfs/dbraw/zinc/61/30/13/585613013.db2.gz KRFTWTWYGCRKDC-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C#CC[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1ccccc1 ZINC000773108392 585631332 /nfs/dbraw/zinc/63/13/32/585631332.db2.gz XQBBIIJGFULZTK-BPUTZDHNSA-N 1 0 242.366 2.291 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=N[C@@H]1CCCCC1(C)C ZINC000773126102 585632145 /nfs/dbraw/zinc/63/21/45/585632145.db2.gz TZPGQIYFDTZXIX-DGCLKSJQSA-N 1 0 237.391 2.482 20 30 BEEDRO CC1=CCC[C@@H](C)[C@H]1C=[NH+]n1cnnc1 ZINC000773181694 585633363 /nfs/dbraw/zinc/63/33/63/585633363.db2.gz WFPUGYVRUAXIQQ-MNOVXSKESA-N 1 0 204.277 2.104 20 30 BEEDRO C#CCCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000773314707 585634903 /nfs/dbraw/zinc/63/49/03/585634903.db2.gz CGZYLVHWGCHXPL-LBPRGKRZSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000773888892 585645838 /nfs/dbraw/zinc/64/58/38/585645838.db2.gz SCDXBPZKKPPLFC-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCc2occc21)[C@@H]1CCCO1 ZINC000774364503 585656917 /nfs/dbraw/zinc/65/69/17/585656917.db2.gz QIIGLVRIPYRUST-GUTXKFCHSA-N 1 0 245.322 2.427 20 30 BEEDRO CCC(CC)CNN=C1CC[N@H+](C)[C@H](C)C1 ZINC000774463989 585659696 /nfs/dbraw/zinc/65/96/96/585659696.db2.gz SVMMLIYZNUNPPW-LLVKDONJSA-N 1 0 225.380 2.482 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCC)c1O ZINC000775182023 585672874 /nfs/dbraw/zinc/67/28/74/585672874.db2.gz AKKXCDCKVRQBDG-LLVKDONJSA-N 1 0 233.311 2.244 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](CCO)C2CC2)cc1C#N ZINC000859251173 589024275 /nfs/dbraw/zinc/02/42/75/589024275.db2.gz YPJPOQYQJLFMQI-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)c(F)c1)[C@H]1CCCO1 ZINC000775340232 585676174 /nfs/dbraw/zinc/67/61/74/585676174.db2.gz GELTWWZZOLFMFT-HUUCEWRRSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1cncc(C)c1)[C@@H]1CCCO1 ZINC000775573682 585680704 /nfs/dbraw/zinc/68/07/04/585680704.db2.gz JBHBCQPGUQKQFS-QEJZJMRPSA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1C)[C@H]1CCCO1 ZINC000775794277 585685295 /nfs/dbraw/zinc/68/52/95/585685295.db2.gz ZFMIRGXRLSHTEO-HUUCEWRRSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@@H]([NH2+]CCCc1ccsc1)[C@@H]1CCCO1 ZINC000775804861 585685658 /nfs/dbraw/zinc/68/56/58/585685658.db2.gz CQLOPIHZNFDNLB-KGLIPLIRSA-N 1 0 249.379 2.451 20 30 BEEDRO C#C[C@H]([NH2+]CCc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775800470 585685723 /nfs/dbraw/zinc/68/57/23/585685723.db2.gz SGIGFYZDIMQVJI-HOTGVXAUSA-N 1 0 243.350 2.308 20 30 BEEDRO C#CCCC[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000775992217 585688700 /nfs/dbraw/zinc/68/87/00/585688700.db2.gz BUQSKQKILNVDSR-TZMCWYRMSA-N 1 0 237.343 2.111 20 30 BEEDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000776007978 585689162 /nfs/dbraw/zinc/68/91/62/585689162.db2.gz OPNMKQBLNUIPQS-JTQLQIEISA-N 1 0 246.310 2.355 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1ccccc1F)[C@H]1CCCO1 ZINC000776002468 585689337 /nfs/dbraw/zinc/68/93/37/585689337.db2.gz SRKOMYKZMBBAKD-HUUCEWRRSA-N 1 0 247.313 2.139 20 30 BEEDRO C=CC[N@H+](CC1CCCCC1)Cn1cnnc1 ZINC000776759432 585704954 /nfs/dbraw/zinc/70/49/54/585704954.db2.gz OQJBNRRZIJDUMC-UHFFFAOYSA-N 1 0 234.347 2.304 20 30 BEEDRO COCCCC=[NH+]n1cnc2ccccc21 ZINC000777429054 585711787 /nfs/dbraw/zinc/71/17/87/585711787.db2.gz AWDGSLCKSZLTAS-UHFFFAOYSA-N 1 0 217.272 2.297 20 30 BEEDRO FC(F)(F)CCON=C1CC[N@@H+]2CCC[C@@H]12 ZINC000777455928 585712765 /nfs/dbraw/zinc/71/27/65/585712765.db2.gz OXEQACZSJFGDKX-VIFPVBQESA-N 1 0 236.237 2.180 20 30 BEEDRO CC(=[NH+]NCCOC(C)C)c1ccc(N)cc1C ZINC000778547547 585736908 /nfs/dbraw/zinc/73/69/08/585736908.db2.gz IWEGGQRUCLFOSI-UHFFFAOYSA-N 1 0 249.358 2.316 20 30 BEEDRO C#C[C@@H](CC)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000778726220 585739780 /nfs/dbraw/zinc/73/97/80/585739780.db2.gz NICFTUXQJLGUQN-RYUDHWBXSA-N 1 0 225.332 2.062 20 30 BEEDRO C#C[C@@H](CC)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000778726219 585739822 /nfs/dbraw/zinc/73/98/22/585739822.db2.gz NICFTUXQJLGUQN-NWDGAFQWSA-N 1 0 225.332 2.062 20 30 BEEDRO C#CCOCC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000779051243 585744628 /nfs/dbraw/zinc/74/46/28/585744628.db2.gz SWAWCNJEQHQSKB-MRXNPFEDSA-N 1 0 245.366 2.493 20 30 BEEDRO C#CCOc1ccc(C[N@H+]2CC=CCC2)cc1 ZINC000779159385 585746386 /nfs/dbraw/zinc/74/63/86/585746386.db2.gz HRGKCBQJCXYXER-UHFFFAOYSA-N 1 0 227.307 2.461 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)C1(C(=O)OC)CCC1 ZINC000779397948 585753432 /nfs/dbraw/zinc/75/34/32/585753432.db2.gz CQAPUEHSQHHRRX-LBPRGKRZSA-N 1 0 237.343 2.111 20 30 BEEDRO CCON=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000779769078 585761816 /nfs/dbraw/zinc/76/18/16/585761816.db2.gz QDVLCTGSZPQRKN-UHFFFAOYSA-N 1 0 238.253 2.427 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H](C)c1ccccc1 ZINC000779792302 585763691 /nfs/dbraw/zinc/76/36/91/585763691.db2.gz KTABVFKPDPSTCZ-WDEREUQCSA-N 1 0 244.342 2.103 20 30 BEEDRO CCC[C@H](C)C(CC)=NNC1=[NH+][C@@H](C)CN1 ZINC000779793809 585763946 /nfs/dbraw/zinc/76/39/46/585763946.db2.gz AGYCDBSRHTXJIF-UWVGGRQHSA-N 1 0 224.352 2.126 20 30 BEEDRO CC(=NNc1ccncc1)c1ccc(C)cc1O ZINC000779811415 585766463 /nfs/dbraw/zinc/76/64/63/585766463.db2.gz GRVLMKSVJNRYSM-UHFFFAOYSA-N 1 0 241.294 2.354 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCc2ccccc2C1 ZINC000782042109 585807550 /nfs/dbraw/zinc/80/75/50/585807550.db2.gz MQPKJQBGZPVVLH-HNNXBMFYSA-N 1 0 237.346 2.360 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccnc(N(C)C)c1 ZINC000782174837 585809561 /nfs/dbraw/zinc/80/95/61/585809561.db2.gz NAXRYHXGVCYTAU-UHFFFAOYSA-N 1 0 231.343 2.322 20 30 BEEDRO C[C@H]1CC(=NNCCC(C)(C)C)CC[N@@H+]1C ZINC000782903042 585825725 /nfs/dbraw/zinc/82/57/25/585825725.db2.gz NHADPQCLEBOMBK-NSHDSACASA-N 1 0 225.380 2.482 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000783293516 585833196 /nfs/dbraw/zinc/83/31/96/585833196.db2.gz GLHCMSVAOUUICV-TUAOUCFPSA-N 1 0 230.315 2.128 20 30 BEEDRO COC[C@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299837 585833260 /nfs/dbraw/zinc/83/32/60/585833260.db2.gz GEOOGPALLJHNPI-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO COC[C@@H](CC(C)C)[NH2+]Cc1ccc(C#N)cn1 ZINC000783299840 585833417 /nfs/dbraw/zinc/83/34/17/585833417.db2.gz GEOOGPALLJHNPI-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CC(C(F)F)C2)nc1 ZINC000783702877 585840541 /nfs/dbraw/zinc/84/05/41/585840541.db2.gz JVSANOTZTJJSCD-UHFFFAOYSA-N 1 0 237.253 2.087 20 30 BEEDRO CC[C@@H]1CCC[C@H](C=NNC2=[NH+][C@H](C)CN2)C1 ZINC000783863837 585845158 /nfs/dbraw/zinc/84/51/58/585845158.db2.gz TVOINDHMYHVAQW-UTUOFQBUSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1c(F)cccc1F ZINC000784078515 585848679 /nfs/dbraw/zinc/84/86/79/585848679.db2.gz DYLQKMOVYQAEHD-SNVBAGLBSA-N 1 0 239.265 2.265 20 30 BEEDRO C#CCCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000784361736 585857169 /nfs/dbraw/zinc/85/71/69/585857169.db2.gz LJJQXZIJRNFNQV-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000785478140 585874506 /nfs/dbraw/zinc/87/45/06/585874506.db2.gz MBGDMAHQNXNZSG-OLZOCXBDSA-N 1 0 243.354 2.255 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CC2)C(=O)O1 ZINC000785998637 585884942 /nfs/dbraw/zinc/88/49/42/585884942.db2.gz JKOLYXSLVZMWAE-VXGBXAGGSA-N 1 0 235.327 2.123 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000786828238 585897717 /nfs/dbraw/zinc/89/77/17/585897717.db2.gz HLKKAWUYIVTIHT-CQSZACIVSA-N 1 0 229.323 2.383 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786919604 585898699 /nfs/dbraw/zinc/89/86/99/585898699.db2.gz NLFYJDOCPQWSLC-NSHDSACASA-N 1 0 245.326 2.053 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(N=Nc2ccccn2)C1 ZINC000788414999 585922709 /nfs/dbraw/zinc/92/27/09/585922709.db2.gz MNJBNKFUKPKMRI-LBPRGKRZSA-N 1 0 232.331 2.354 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000788519278 585926392 /nfs/dbraw/zinc/92/63/92/585926392.db2.gz BAWGZGOKDDCUSI-UHFFFAOYSA-N 1 0 229.283 2.173 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC12CCCC2)[C@H]1CCCO1 ZINC000788979428 585932883 /nfs/dbraw/zinc/93/28/83/585932883.db2.gz GHUZIPONCAGWKA-MJBXVCDLSA-N 1 0 233.355 2.480 20 30 BEEDRO CCN(C)c1ccc(C=[NH+]NC2CCCC2)cn1 ZINC000790162576 585958943 /nfs/dbraw/zinc/95/89/43/585958943.db2.gz RSCZOSWRGRSDAW-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCCCNC(=O)CCCC[NH+]1CCCC1 ZINC000791144275 585974409 /nfs/dbraw/zinc/97/44/09/585974409.db2.gz CBURAEGBDUWKFZ-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=CC[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)C1CC1 ZINC000792268566 585998679 /nfs/dbraw/zinc/99/86/79/585998679.db2.gz LJQAJMXNVAHIKF-GFCCVEGCSA-N 1 0 235.327 2.123 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CC1(Cl)Cl ZINC000792407834 586000205 /nfs/dbraw/zinc/00/02/05/586000205.db2.gz YIGMSUKKPOGPRS-SECBINFHSA-N 1 0 238.158 2.315 20 30 BEEDRO N#CCCCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792545650 586002605 /nfs/dbraw/zinc/00/26/05/586002605.db2.gz DYZGTWLMJKTHKA-UHFFFAOYSA-N 1 0 243.266 2.185 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792923977 586007049 /nfs/dbraw/zinc/00/70/49/586007049.db2.gz VZQPZMMBFVGJFT-OLZOCXBDSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCCC[C@@H]1CCO ZINC000792927637 586007099 /nfs/dbraw/zinc/00/70/99/586007099.db2.gz QEJOYLCOERNQSN-LLVKDONJSA-N 1 0 217.740 2.366 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC000793530328 586022073 /nfs/dbraw/zinc/02/20/73/586022073.db2.gz WTMGCNOFTMRKQG-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C#CC[N@H+](CC)CCN1CCc2ccccc21 ZINC000794394387 586039023 /nfs/dbraw/zinc/03/90/23/586039023.db2.gz XADFQZIOYFDPNE-UHFFFAOYSA-N 1 0 228.339 2.004 20 30 BEEDRO CC(C)[C@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000794449601 586039884 /nfs/dbraw/zinc/03/98/84/586039884.db2.gz YJVHPXQALFSHPU-JTQLQIEISA-N 1 0 206.293 2.328 20 30 BEEDRO CCn1cc(CC[N@H+](CCC#N)CC(C)C)cn1 ZINC000794554748 586043892 /nfs/dbraw/zinc/04/38/92/586043892.db2.gz GBUPEKDNDSZWDQ-UHFFFAOYSA-N 1 0 248.374 2.317 20 30 BEEDRO C#CC(C)(C)N(C)CC[NH+]1CCC(C)CC1 ZINC000794578726 586045133 /nfs/dbraw/zinc/04/51/33/586045133.db2.gz KKORCBDNGKXQRE-UHFFFAOYSA-N 1 0 222.376 2.062 20 30 BEEDRO CC#CC[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794599943 586045277 /nfs/dbraw/zinc/04/52/77/586045277.db2.gz IKRSRVQZQXISFC-HUUCEWRRSA-N 1 0 231.339 2.358 20 30 BEEDRO CCCCCCC[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794966251 586058606 /nfs/dbraw/zinc/05/86/06/586058606.db2.gz BVVUUMNXZOIUKK-ITGUQSILSA-N 1 0 239.359 2.308 20 30 BEEDRO C#CCCC[N@H+]1CCN(C2CCC2)C[C@H](C)C1 ZINC000795123004 586068842 /nfs/dbraw/zinc/06/88/42/586068842.db2.gz UEVVUHIXPAUGPX-CQSZACIVSA-N 1 0 234.387 2.206 20 30 BEEDRO C[C@H](C#N)OCC[NH+](C1CCC1)C1CCC1 ZINC000795491460 586081200 /nfs/dbraw/zinc/08/12/00/586081200.db2.gz PWCOAROBDJIKNL-LLVKDONJSA-N 1 0 222.332 2.322 20 30 BEEDRO CC(C)C1C[NH+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000795543584 586084629 /nfs/dbraw/zinc/08/46/29/586084629.db2.gz FCWAMEUUDMOSTQ-HNNXBMFYSA-N 1 0 244.338 2.179 20 30 BEEDRO CC[C@@H]1CC[C@H](C)CC1=[NH+]n1cnnc1 ZINC000797399014 586126386 /nfs/dbraw/zinc/12/63/86/586126386.db2.gz YDYDONMAOVTMHD-VHSXEESVSA-N 1 0 206.293 2.328 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000797525819 586128284 /nfs/dbraw/zinc/12/82/84/586128284.db2.gz SIEFUWCMBIMJON-CQSZACIVSA-N 1 0 240.391 2.415 20 30 BEEDRO CC1(C)CCc2ccccc2C(=NNC(N)=[NH2+])C1 ZINC000797787222 586130806 /nfs/dbraw/zinc/13/08/06/586130806.db2.gz HPQBEMHLFVRZBB-UHFFFAOYSA-N 1 0 244.342 2.236 20 30 BEEDRO C=CCN1CC[C@H]([NH+]2CCCCCCC2)C1=O ZINC000799104729 586156540 /nfs/dbraw/zinc/15/65/40/586156540.db2.gz WCTNBKCDFXOOAM-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](OCC)C1CC1 ZINC000859318440 589031434 /nfs/dbraw/zinc/03/14/34/589031434.db2.gz ATQGOLZULUSHMY-CHWSQXEVSA-N 1 0 209.333 2.193 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000799719671 586193758 /nfs/dbraw/zinc/19/37/58/586193758.db2.gz UQMKOOCDMXGCIJ-JSGCOSHPSA-N 1 0 229.327 2.380 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000799716770 586194218 /nfs/dbraw/zinc/19/42/18/586194218.db2.gz XCVXSNKMAIWQRE-HONMWMINSA-N 1 0 248.301 2.141 20 30 BEEDRO c1nncn1[NH+]=C1CCC[C@H](c2cccnc2)C1 ZINC000799865681 586198205 /nfs/dbraw/zinc/19/82/05/586198205.db2.gz KKJNUFQQYXAVQT-NSHDSACASA-N 1 0 241.298 2.235 20 30 BEEDRO C(C[NH+]1CCCCC1)NN=C1CCC[C@H]2C[C@@H]12 ZINC000800810258 586230546 /nfs/dbraw/zinc/23/05/46/586230546.db2.gz KCYVJQHAQVYBQV-QWHCGFSZSA-N 1 0 235.375 2.238 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000859446072 589037512 /nfs/dbraw/zinc/03/75/12/589037512.db2.gz UJEVMQACHFWASS-VXGBXAGGSA-N 1 0 225.332 2.036 20 30 BEEDRO Cc1ccc(C[N@@H+](CCO[C@@H](C)C#N)C2CC2)o1 ZINC000801914872 586276376 /nfs/dbraw/zinc/27/63/76/586276376.db2.gz LOYVUDZQQZFANU-LBPRGKRZSA-N 1 0 248.326 2.481 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C(C1CC1)C1CC1 ZINC000801914339 586276609 /nfs/dbraw/zinc/27/66/09/586276609.db2.gz CLKXBXQLDBMWJZ-SNVBAGLBSA-N 1 0 222.332 2.035 20 30 BEEDRO Cc1ccc(C[N@@H+](CCO[C@H](C)C#N)C2CC2)o1 ZINC000801914871 586276735 /nfs/dbraw/zinc/27/67/35/586276735.db2.gz LOYVUDZQQZFANU-GFCCVEGCSA-N 1 0 248.326 2.481 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)CCCc1ccccc1 ZINC000801914179 586276943 /nfs/dbraw/zinc/27/69/43/586276943.db2.gz HOHTXLYYFVFURA-CQSZACIVSA-N 1 0 246.354 2.480 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000801918494 586276948 /nfs/dbraw/zinc/27/69/48/586276948.db2.gz PFDQWLZMQXQCMU-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO CCSCC[C@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000801934854 586278915 /nfs/dbraw/zinc/27/89/15/586278915.db2.gz RZMDEJZIVKTEQG-RYUDHWBXSA-N 1 0 244.404 2.379 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C[C@H]1CC=CCC1 ZINC000801937873 586279816 /nfs/dbraw/zinc/27/98/16/586279816.db2.gz AWHXVLASCBXZCS-OLZOCXBDSA-N 1 0 222.332 2.203 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000801941395 586281021 /nfs/dbraw/zinc/28/10/21/586281021.db2.gz NMFNNFBIEWMZFY-VXGBXAGGSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@H]2CCC[C@@H]2C1=O ZINC000839998276 586344775 /nfs/dbraw/zinc/34/47/75/586344775.db2.gz HNJBBZOUHOMPOW-OLZOCXBDSA-N 1 0 236.359 2.100 20 30 BEEDRO C=CCCCCC[N@@H+](C)CN1CC[C@H](C)C1=O ZINC000840008311 586365434 /nfs/dbraw/zinc/36/54/34/586365434.db2.gz UJMWSWFYAUNLBH-ZDUSSCGKSA-N 1 0 238.375 2.491 20 30 BEEDRO C#CCCCOC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803857304 586377596 /nfs/dbraw/zinc/37/75/96/586377596.db2.gz YOKZANZAYVVGAT-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH+](C2CC2)C2CC2)cc1 ZINC000859623765 589049521 /nfs/dbraw/zinc/04/95/21/589049521.db2.gz SGLYKIDLBJXHGN-OAHLLOKOSA-N 1 0 242.322 2.218 20 30 BEEDRO C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)CC#N ZINC000809570617 586506948 /nfs/dbraw/zinc/50/69/48/586506948.db2.gz QTJNOMXKAIPVSG-GXFFZTMASA-N 1 0 236.290 2.093 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000809623049 586509231 /nfs/dbraw/zinc/50/92/31/586509231.db2.gz PLJIHOVWXTTWAA-JKSUJKDBSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2cccc(F)n2)cc1 ZINC000809627803 586509755 /nfs/dbraw/zinc/50/97/55/586509755.db2.gz HCWWSAXCWMVQBY-UHFFFAOYSA-N 1 0 240.281 2.492 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCCCCO)cc1 ZINC000809632583 586510085 /nfs/dbraw/zinc/51/00/85/586510085.db2.gz SYICYVQTJKLMIR-UHFFFAOYSA-N 1 0 231.339 2.310 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)CC2CCC2)cc1 ZINC000809657943 586511096 /nfs/dbraw/zinc/51/10/96/586511096.db2.gz YHMIOUUGRRGEGE-MRXNPFEDSA-N 1 0 243.350 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000809657942 586511231 /nfs/dbraw/zinc/51/12/31/586511231.db2.gz YHMIOUUGRRGEGE-INIZCTEOSA-N 1 0 243.350 2.309 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000809683970 586512085 /nfs/dbraw/zinc/51/20/85/586512085.db2.gz TYYQSSSDGFWPER-LLVKDONJSA-N 1 0 243.285 2.123 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000809684328 586512334 /nfs/dbraw/zinc/51/23/34/586512334.db2.gz YROLZQAKKHZENC-CYBMUJFWSA-N 1 0 242.322 2.480 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000809684188 586512399 /nfs/dbraw/zinc/51/23/99/586512399.db2.gz QQQFOGUKZARFEN-QWHCGFSZSA-N 1 0 244.338 2.323 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000809686035 586512800 /nfs/dbraw/zinc/51/28/00/586512800.db2.gz IYBQDOADDBZDQK-GFCCVEGCSA-N 1 0 234.318 2.393 20 30 BEEDRO C=C[C@H](C)OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810700403 586545036 /nfs/dbraw/zinc/54/50/36/586545036.db2.gz FYROHTNXIHCMMK-GWCFXTLKSA-N 1 0 243.322 2.317 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000811599047 586561639 /nfs/dbraw/zinc/56/16/39/586561639.db2.gz HKOUKSLSIDVJQG-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCN=NC1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000811649866 586562722 /nfs/dbraw/zinc/56/27/22/586562722.db2.gz ABFRDZVBRBCVCM-CYBMUJFWSA-N 1 0 243.354 2.412 20 30 BEEDRO CC(=[NH+]NC[C@H]1CCSC1)c1ccc(N)cc1 ZINC000811662472 586564679 /nfs/dbraw/zinc/56/46/79/586564679.db2.gz MDJTYINTKWWGCU-LLVKDONJSA-N 1 0 249.383 2.336 20 30 BEEDRO CC(C)[N@H+]1CC(=NOC/C=C/Cl)[C@@H](C)C1 ZINC000811670730 586565470 /nfs/dbraw/zinc/56/54/70/586565470.db2.gz APBRZUABKCFBMI-HWTMVNSHSA-N 1 0 230.739 2.472 20 30 BEEDRO C#CCON=C1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000812234429 586571377 /nfs/dbraw/zinc/57/13/77/586571377.db2.gz HMDPRAYEOHLRCE-CYBMUJFWSA-N 1 0 242.322 2.287 20 30 BEEDRO CCN(C)c1ccc(C=[NH+]OC2CCC2)cn1 ZINC000812235077 586571454 /nfs/dbraw/zinc/57/14/54/586571454.db2.gz KLZPCGAANBILOW-UHFFFAOYSA-N 1 0 233.315 2.441 20 30 BEEDRO CC(C)OCCON=C1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000812240418 586572352 /nfs/dbraw/zinc/57/23/52/586572352.db2.gz PCFRDZDGHQNDGL-NSHDSACASA-N 1 0 240.347 2.041 20 30 BEEDRO CC(N=Nc1ccccn1)C1CC[NH+](C)CC1 ZINC000814731977 586630934 /nfs/dbraw/zinc/63/09/34/586630934.db2.gz RPLJBIMWZRADSD-UHFFFAOYSA-N 1 0 232.331 2.211 20 30 BEEDRO CCCCNN=C(C)C1CC[NH+](C)CC1 ZINC000814805867 586636282 /nfs/dbraw/zinc/63/62/82/586636282.db2.gz POSLJLOPRFMXFV-UHFFFAOYSA-N 1 0 211.353 2.094 20 30 BEEDRO C=CCC1([NH2+]CC(OC)OC)CCCCC1 ZINC000859745974 589057983 /nfs/dbraw/zinc/05/79/83/589057983.db2.gz YOXZWTZJOOSFQO-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO CCC(=[NH+]NC1CCOCC1)c1cccc(N)c1 ZINC000814869482 586640662 /nfs/dbraw/zinc/64/06/62/586640662.db2.gz KZMXXPBMBOMPBZ-UHFFFAOYSA-N 1 0 247.342 2.152 20 30 BEEDRO C=CCC1([NH2+]CC[S@@](C)=O)CCCCC1 ZINC000859744816 589058019 /nfs/dbraw/zinc/05/80/19/589058019.db2.gz JOTUGRMVDYOBCM-OAHLLOKOSA-N 1 0 229.389 2.234 20 30 BEEDRO C[C@H]1CNC(NN=C2CCCC23CCCC3)=[NH+]1 ZINC000814897202 586645238 /nfs/dbraw/zinc/64/52/38/586645238.db2.gz GWIHNHJYERMMAF-JTQLQIEISA-N 1 0 234.347 2.024 20 30 BEEDRO CC(=NOC1CCC1)C1CC[NH+](C)CC1 ZINC000814936176 586654749 /nfs/dbraw/zinc/65/47/49/586654749.db2.gz BSXGPNXSSVMCEY-UHFFFAOYSA-N 1 0 210.321 2.273 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000815652836 586690869 /nfs/dbraw/zinc/69/08/69/586690869.db2.gz WJBOGWVQDJAYSJ-CABCVRRESA-N 1 0 236.403 2.356 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(C#N)cs1 ZINC000816647531 586750622 /nfs/dbraw/zinc/75/06/22/586750622.db2.gz UFPVLIBETHTKOU-DTWKUNHWSA-N 1 0 206.314 2.460 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)cs2)[C@H]1C ZINC000816647530 586750791 /nfs/dbraw/zinc/75/07/91/586750791.db2.gz UFPVLIBETHTKOU-BDAKNGLRSA-N 1 0 206.314 2.460 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)C[C@H]2CC)cc1 ZINC000816660360 586752278 /nfs/dbraw/zinc/75/22/78/586752278.db2.gz AMJLESALCBVOGL-MRXNPFEDSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)cc1 ZINC000817412904 586801851 /nfs/dbraw/zinc/80/18/51/586801851.db2.gz QNUADDUAOGQTFL-XJKSGUPXSA-N 1 0 243.350 2.118 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)cc1 ZINC000817412903 586801956 /nfs/dbraw/zinc/80/19/56/586801956.db2.gz QNUADDUAOGQTFL-CZUORRHYSA-N 1 0 243.350 2.118 20 30 BEEDRO C#Cc1ccc(CN(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000817417653 586803747 /nfs/dbraw/zinc/80/37/47/586803747.db2.gz QZOJOJYTCJLXPE-MRXNPFEDSA-N 1 0 242.366 2.194 20 30 BEEDRO C=CC[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895299 586835183 /nfs/dbraw/zinc/83/51/83/586835183.db2.gz XQOFMNBQAMKYLR-BPLDGKMQSA-N 1 0 245.370 2.429 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956768 586850795 /nfs/dbraw/zinc/85/07/95/586850795.db2.gz CICYKQYNOXTWJJ-ZFWWWQNUSA-N 1 0 243.354 2.483 20 30 BEEDRO C#CC[N@@H+]1C[C@@H]2C[C@@H](c3ccccc3)[C@@H]2C1 ZINC000859931821 589071858 /nfs/dbraw/zinc/07/18/58/589071858.db2.gz WOXXEYZEXGDWFR-SOUVJXGZSA-N 1 0 211.308 2.355 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H]2CC23CC3)cc1 ZINC000818229835 586881003 /nfs/dbraw/zinc/88/10/03/586881003.db2.gz DZVGPZJDTHDSBT-CQSZACIVSA-N 1 0 227.307 2.341 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1nn(CC)nc1C ZINC000818343967 586887515 /nfs/dbraw/zinc/88/75/15/586887515.db2.gz GIBQYMUABUWLGI-LBPRGKRZSA-N 1 0 236.363 2.441 20 30 BEEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)n(C)n1 ZINC000818355829 586888042 /nfs/dbraw/zinc/88/80/42/586888042.db2.gz JGKBDDSISJHPGO-SDDRHHMPSA-N 1 0 232.331 2.071 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CC[C@H]1O ZINC000818358006 586888834 /nfs/dbraw/zinc/88/88/34/586888834.db2.gz NSKIYHWJQQZSLS-RBSFLKMASA-N 1 0 242.322 2.049 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356772 586888936 /nfs/dbraw/zinc/88/89/36/586888936.db2.gz QXXANDAZLSMQSZ-YVECIDJPSA-N 1 0 222.332 2.083 20 30 BEEDRO N#CCC[NH2+]CCCOc1ccccc1F ZINC000818944531 586916768 /nfs/dbraw/zinc/91/67/68/586916768.db2.gz LJVSMLSJWJBGSA-UHFFFAOYSA-N 1 0 222.263 2.098 20 30 BEEDRO N#CCCCC[NH2+]C[C@H](O)c1ccccc1F ZINC000819016893 586923772 /nfs/dbraw/zinc/92/37/72/586923772.db2.gz VVXLBVWEQURWJJ-ZDUSSCGKSA-N 1 0 236.290 2.143 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](O)c1ccccc1C ZINC000819161782 586934868 /nfs/dbraw/zinc/93/48/68/586934868.db2.gz KOBKKEJSSAMKQL-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)c1ccns1 ZINC000860053367 589076228 /nfs/dbraw/zinc/07/62/28/589076228.db2.gz BLSQYVLVPAOTQK-VIFPVBQESA-N 1 0 241.385 2.441 20 30 BEEDRO N#CCC1(C[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000819280517 586947756 /nfs/dbraw/zinc/94/77/56/586947756.db2.gz HOKAHAPWLRKOIT-ZDUSSCGKSA-N 1 0 248.301 2.143 20 30 BEEDRO C=CCC1(C[NH2+]C[C@H](O)C2CC2)CCCC1 ZINC000819353235 586955546 /nfs/dbraw/zinc/95/55/46/586955546.db2.gz AYOTVNCQYPGKCM-ZDUSSCGKSA-N 1 0 223.360 2.483 20 30 BEEDRO N#CC1(C[NH2+]C[C@H](O)c2ccccc2)CCC1 ZINC000819377011 586959027 /nfs/dbraw/zinc/95/90/27/586959027.db2.gz IGYAAONGSDKAQY-ZDUSSCGKSA-N 1 0 230.311 2.003 20 30 BEEDRO Cc1ccccc1[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000819384202 586959606 /nfs/dbraw/zinc/95/96/06/586959606.db2.gz VSSCWGQHPJXTAH-GUTXKFCHSA-N 1 0 244.338 2.310 20 30 BEEDRO Cc1cc(NCCC#N)ccc1N(C)C ZINC000819408090 586961954 /nfs/dbraw/zinc/96/19/54/586961954.db2.gz KLLRNJOAAWLMNY-UHFFFAOYSA-N 1 0 203.289 2.387 20 30 BEEDRO C[C@@H](NN=C1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000819814625 586998408 /nfs/dbraw/zinc/99/84/08/586998408.db2.gz CTWRZWUQDUQWCP-NWDGAFQWSA-N 1 0 246.358 2.202 20 30 BEEDRO Cc1nc2cc(NC(=O)C#CC(C)C)ccc2[nH]1 ZINC000820180754 587032925 /nfs/dbraw/zinc/03/29/25/587032925.db2.gz AQXRWBVDMIIKRB-UHFFFAOYSA-N 1 0 241.294 2.469 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000820557899 587054146 /nfs/dbraw/zinc/05/41/46/587054146.db2.gz IXLZVTZRMRBGKT-UPJWGTAASA-N 1 0 238.375 2.140 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000821207283 587101396 /nfs/dbraw/zinc/10/13/96/587101396.db2.gz NFRGQDAHWZTPAI-VOMSXAGXSA-N 1 0 229.323 2.064 20 30 BEEDRO C=C[C@@H](C)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821628102 587133784 /nfs/dbraw/zinc/13/37/84/587133784.db2.gz ZTUUOARYCSEGQW-LLVKDONJSA-N 1 0 233.311 2.480 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000822481231 587171006 /nfs/dbraw/zinc/17/10/06/587171006.db2.gz NEKDGTNNPAMDEX-QMMMGPOBSA-N 1 0 239.221 2.119 20 30 BEEDRO C=CCCCCCCNC(=O)C[NH+]1CCCC1 ZINC000822918355 587193125 /nfs/dbraw/zinc/19/31/25/587193125.db2.gz LSDXUAWCBZDWJF-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2CC[NH2+][C@H]2C)n1 ZINC000823248508 587211165 /nfs/dbraw/zinc/21/11/65/587211165.db2.gz QNSUERQKMUYVFK-VHSXEESVSA-N 1 0 235.331 2.389 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@@H]2CC[NH2+]C2)n1 ZINC000823248339 587211507 /nfs/dbraw/zinc/21/15/07/587211507.db2.gz OUEOWAOANRRHPS-JTQLQIEISA-N 1 0 235.331 2.075 20 30 BEEDRO C=CCCc1noc([C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC000823263389 587212366 /nfs/dbraw/zinc/21/23/66/587212366.db2.gz HTUDMDGOBVFJLR-NWDGAFQWSA-N 1 0 247.342 2.291 20 30 BEEDRO CC#CCC[N@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823606932 587233025 /nfs/dbraw/zinc/23/30/25/587233025.db2.gz XIHUGBMYKHOCKY-HNNXBMFYSA-N 1 0 231.339 2.239 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000823736778 587238536 /nfs/dbraw/zinc/23/85/36/587238536.db2.gz NHSHLFPXEIZLGJ-MOKVOYLWSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CC(C)(C)C)[NH2+]C1CCN(CC#N)CC1 ZINC000823802283 587240497 /nfs/dbraw/zinc/24/04/97/587240497.db2.gz XWHPOPOCPLUGTG-GFCCVEGCSA-N 1 0 237.391 2.389 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H](CCO)C2CC2)CC1 ZINC000823932246 587246136 /nfs/dbraw/zinc/24/61/36/587246136.db2.gz YBSPERHCPYSBKR-MOKVOYLWSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824084142 587254359 /nfs/dbraw/zinc/25/43/59/587254359.db2.gz FAFCAAZFPBFDCM-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cc(F)ncc2F)CC1 ZINC000824327399 587266257 /nfs/dbraw/zinc/26/62/57/587266257.db2.gz XMSMVPIUGFALBX-UHFFFAOYSA-N 1 0 237.253 2.143 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C)cc1OC ZINC000824363609 587267702 /nfs/dbraw/zinc/26/77/02/587267702.db2.gz HHQFLPBWVJGWJP-LLVKDONJSA-N 1 0 203.285 2.115 20 30 BEEDRO CCCCCCCNC(=O)C[NH+]1CCCC1 ZINC000824844425 587289844 /nfs/dbraw/zinc/28/98/44/587289844.db2.gz BEVAKSPLVJOGII-UHFFFAOYSA-N 1 0 226.364 2.169 20 30 BEEDRO CCCCCCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000824844772 587289880 /nfs/dbraw/zinc/28/98/80/587289880.db2.gz ICEPYZDPGIVLEV-ZDUSSCGKSA-N 1 0 240.391 2.415 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](C)[NH+](C)C ZINC000824844426 587289887 /nfs/dbraw/zinc/28/98/87/587289887.db2.gz BFWXQVGHLFBBQM-LLVKDONJSA-N 1 0 214.353 2.023 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCC=CO1 ZINC000824952782 587294807 /nfs/dbraw/zinc/29/48/07/587294807.db2.gz DXQPQIDSPMVHBK-UPJWGTAASA-N 1 0 223.316 2.002 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CO)CCC=C)cc1 ZINC000825168587 587307318 /nfs/dbraw/zinc/30/73/18/587307318.db2.gz KHHWEZDPUIPJDK-HNNXBMFYSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccnc1Cl ZINC000825168795 587307396 /nfs/dbraw/zinc/30/73/96/587307396.db2.gz OUUMWHHECRDTBW-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(F)ncc1F ZINC000825221345 587310125 /nfs/dbraw/zinc/31/01/25/587310125.db2.gz JLNPQWUPADFHRP-UHFFFAOYSA-N 1 0 212.243 2.416 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](CC)COC)c1 ZINC000825226848 587310331 /nfs/dbraw/zinc/31/03/31/587310331.db2.gz NIIGJOIAJLPLQG-AWEZNQCLSA-N 1 0 217.312 2.183 20 30 BEEDRO C=C(CC)C[NH2+]CC1CCC2(CC1)OCCO2 ZINC000825221638 587310359 /nfs/dbraw/zinc/31/03/59/587310359.db2.gz UVLLEGWHOJTDGK-UHFFFAOYSA-N 1 0 239.359 2.476 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000825227738 587310515 /nfs/dbraw/zinc/31/05/15/587310515.db2.gz ZLQZMGZOFQOIGN-DZGCQCFKSA-N 1 0 224.307 2.450 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CC(CF)(CF)C1 ZINC000825878396 587343555 /nfs/dbraw/zinc/34/35/55/587343555.db2.gz MNWPJHKXVMKDJE-SECBINFHSA-N 1 0 201.260 2.076 20 30 BEEDRO CCCCCCCCCNC(=O)[C@H](C)C[NH3+] ZINC000826602214 587356281 /nfs/dbraw/zinc/35/62/81/587356281.db2.gz AVECZAVVZIPUEB-GFCCVEGCSA-N 1 0 228.380 2.448 20 30 BEEDRO Cc1ccc(O)c(C[NH+]2CC(CC#N)C2)c1 ZINC000826990849 587367363 /nfs/dbraw/zinc/36/73/63/587367363.db2.gz OQCSMKXGSIZTSS-UHFFFAOYSA-N 1 0 216.284 2.046 20 30 BEEDRO C=CC(C)(C)CCNC(=O)/C=C/c1cn(C)cn1 ZINC000826997715 587367579 /nfs/dbraw/zinc/36/75/79/587367579.db2.gz MWJAZVXCUDJZIB-VOTSOKGWSA-N 1 0 247.342 2.152 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)CC2=CCCOC2)cc1 ZINC000827189468 587372399 /nfs/dbraw/zinc/37/23/99/587372399.db2.gz KCEHVIICCKRJRD-UHFFFAOYSA-N 1 0 241.334 2.446 20 30 BEEDRO C=CC[N@H+](C[C@H](O)Cc1ccccc1)C(C)C ZINC000827438031 587381049 /nfs/dbraw/zinc/38/10/49/587381049.db2.gz HPYWHHXCGPMKCB-OAHLLOKOSA-N 1 0 233.355 2.486 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(CCC2)C1)C1CCOCC1 ZINC000827554424 587387382 /nfs/dbraw/zinc/38/73/82/587387382.db2.gz DMIIISUYWDNDJC-CQSZACIVSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)C1CCOCC1 ZINC000827555263 587387629 /nfs/dbraw/zinc/38/76/29/587387629.db2.gz QSWQMFDYZHHEJX-UZGDPCLZSA-N 1 0 221.344 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)C1CCOCC1 ZINC000827559494 587388017 /nfs/dbraw/zinc/38/80/17/587388017.db2.gz GHEGFLVRADYSAB-ILXRZTDVSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C(C)C)C1CCOCC1 ZINC000827564437 587388331 /nfs/dbraw/zinc/38/83/31/587388331.db2.gz BNJXPMRUANDQHX-YPMHNXCESA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C(C)C)C1CCOCC1 ZINC000827560850 587388435 /nfs/dbraw/zinc/38/84/35/587388435.db2.gz VISNBXRLDUOZNS-SOUVJXGZSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)CC)C1CCOCC1 ZINC000827560844 587388471 /nfs/dbraw/zinc/38/84/71/587388471.db2.gz VFSKMODUXAKRKW-YPMHNXCESA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1CC=CCC1)C1CCOCC1 ZINC000827565469 587389060 /nfs/dbraw/zinc/38/90/60/587389060.db2.gz MGRGENLXAWRPSZ-UKRRQHHQSA-N 1 0 233.355 2.361 20 30 BEEDRO C=CCCCC[NH+]1CCC(C2OCCO2)CC1 ZINC000827648303 587394206 /nfs/dbraw/zinc/39/42/06/587394206.db2.gz AXTKQQDTFGLUDU-UHFFFAOYSA-N 1 0 239.359 2.428 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccccc1OC ZINC000827817974 587403951 /nfs/dbraw/zinc/40/39/51/587403951.db2.gz MTKAJDSWKLZSKY-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCN(CC)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000827991583 587412284 /nfs/dbraw/zinc/41/22/84/587412284.db2.gz SDEJEXUPWFGHOF-CQSZACIVSA-N 1 0 222.376 2.204 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCN(C)c1ccccc1 ZINC000828433794 587442008 /nfs/dbraw/zinc/44/20/08/587442008.db2.gz BGZOINSTNVJQKU-AWEZNQCLSA-N 1 0 230.355 2.466 20 30 BEEDRO C=CCCCC[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000828808656 587463126 /nfs/dbraw/zinc/46/31/26/587463126.db2.gz URISTNPSRIPXBW-GFCCVEGCSA-N 1 0 225.332 2.274 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCOC1 ZINC000828808674 587463573 /nfs/dbraw/zinc/46/35/73/587463573.db2.gz VFAJQHFBQPQFLX-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000828903995 587470767 /nfs/dbraw/zinc/47/07/67/587470767.db2.gz ALOPXCISNSHOEF-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C[N@H+](CCCC#N)C[C@@]1(O)CCc2ccccc21 ZINC000829317888 587492284 /nfs/dbraw/zinc/49/22/84/587492284.db2.gz ANLNQFAXUPBVOI-HNNXBMFYSA-N 1 0 244.338 2.056 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@]1(O)CCc2ccccc21 ZINC000829309566 587492292 /nfs/dbraw/zinc/49/22/92/587492292.db2.gz GOMQMXZRZCREFA-HNNXBMFYSA-N 1 0 231.339 2.328 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829309567 587492409 /nfs/dbraw/zinc/49/24/09/587492409.db2.gz GOMQMXZRZCREFA-OAHLLOKOSA-N 1 0 231.339 2.328 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000829518948 587501931 /nfs/dbraw/zinc/50/19/31/587501931.db2.gz NGKSKSVTZSYURR-CQSZACIVSA-N 1 0 214.312 2.284 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCOC(C)C)C1 ZINC000829768544 587514483 /nfs/dbraw/zinc/51/44/83/587514483.db2.gz FVKGLDJOVXLKCF-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C)no2)C1 ZINC000829774662 587514969 /nfs/dbraw/zinc/51/49/69/587514969.db2.gz RUHMHYDVIDZEAU-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000829774364 587515266 /nfs/dbraw/zinc/51/52/66/587515266.db2.gz PKMRMEHZODAIAL-GDBMZVCRSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000829774616 587515408 /nfs/dbraw/zinc/51/54/08/587515408.db2.gz QXTQMWUYCOWXSO-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nc(C)no2)C1 ZINC000829779100 587515478 /nfs/dbraw/zinc/51/54/78/587515478.db2.gz MSPWILVPOOROEF-CMPLNLGQSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(C)o2)C1 ZINC000829779310 587515969 /nfs/dbraw/zinc/51/59/69/587515969.db2.gz QJBZJSBGEHCOQG-CMPLNLGQSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)CCOC)C1 ZINC000829784444 587516503 /nfs/dbraw/zinc/51/65/03/587516503.db2.gz KGTLAFMXZDPGTJ-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000829809895 587517692 /nfs/dbraw/zinc/51/76/92/587517692.db2.gz JRYOQBFBYKKZEA-STQMWFEESA-N 1 0 204.317 2.414 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000829809872 587518475 /nfs/dbraw/zinc/51/84/75/587518475.db2.gz JJLBJILQMYYLNW-CHWSQXEVSA-N 1 0 229.327 2.273 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2cnccn2)C1 ZINC000829809878 587518574 /nfs/dbraw/zinc/51/85/74/587518574.db2.gz JJLBJILQMYYLNW-STQMWFEESA-N 1 0 229.327 2.273 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2cnccn2)C1 ZINC000829809875 587518618 /nfs/dbraw/zinc/51/86/18/587518618.db2.gz JJLBJILQMYYLNW-OLZOCXBDSA-N 1 0 229.327 2.273 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000829814920 587519283 /nfs/dbraw/zinc/51/92/83/587519283.db2.gz CENILEDVHQEITM-CYBMUJFWSA-N 1 0 233.355 2.481 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](CC)OC)C1 ZINC000829816034 587519573 /nfs/dbraw/zinc/51/95/73/587519573.db2.gz YESPHBNBCVFTEL-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000829815881 587519592 /nfs/dbraw/zinc/51/95/92/587519592.db2.gz VFPVZQOLUVSBRN-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cncc(OC)c2)C1 ZINC000829815638 587519977 /nfs/dbraw/zinc/51/99/77/587519977.db2.gz QAUWXBCUZHRTHI-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000830078659 587535053 /nfs/dbraw/zinc/53/50/53/587535053.db2.gz IWKRGWMCNUNEDQ-SNVBAGLBSA-N 1 0 228.767 2.155 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000830305295 587545289 /nfs/dbraw/zinc/54/52/89/587545289.db2.gz KRWRCNNADALAOO-HNNXBMFYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC1CC[NH+](CC2(COC)CCC2)CC1 ZINC000830350486 587546914 /nfs/dbraw/zinc/54/69/14/587546914.db2.gz DEANCHJNXYLYAI-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000831547183 587618467 /nfs/dbraw/zinc/61/84/67/587618467.db2.gz JHOGDZAOPVZHKN-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000831678971 587627321 /nfs/dbraw/zinc/62/73/21/587627321.db2.gz NLVATYCJVYZQHU-MNOVXSKESA-N 1 0 238.718 2.168 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000831679095 587627358 /nfs/dbraw/zinc/62/73/58/587627358.db2.gz OFRFMKMXXUQBAR-YIZRAAEISA-N 1 0 236.142 2.113 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCCCCO ZINC000831830042 587633630 /nfs/dbraw/zinc/63/36/30/587633630.db2.gz QFRWLKQETGSHGC-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](CC)C[C@@H]1CC ZINC000831965096 587639808 /nfs/dbraw/zinc/63/98/08/587639808.db2.gz OXTBWDCWKATNGB-NSHDSACASA-N 1 0 216.756 2.155 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000832093533 587644497 /nfs/dbraw/zinc/64/44/97/587644497.db2.gz GCKZWMZEVGLJAJ-GFCCVEGCSA-N 1 0 211.349 2.129 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000832394450 587657476 /nfs/dbraw/zinc/65/74/76/587657476.db2.gz GYOKMIQONYEXKM-CQSZACIVSA-N 1 0 243.391 2.288 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]1CC ZINC000834349684 587752926 /nfs/dbraw/zinc/75/29/26/587752926.db2.gz IDOBHOHSTCDWNN-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CCC)C(C)(C)C ZINC000834759416 587765997 /nfs/dbraw/zinc/76/59/97/587765997.db2.gz BOOCTZDNAAMPBW-LBPRGKRZSA-N 1 0 211.349 2.441 20 30 BEEDRO CCO[NH+]=C1CCCc2cc(N)ccc21 ZINC000834937272 587771647 /nfs/dbraw/zinc/77/16/47/587771647.db2.gz MOBCBNQVYOUPMU-UHFFFAOYSA-N 1 0 204.273 2.346 20 30 BEEDRO C[C@@H](C#N)CN[NH+]=C1CCCc2cc(N)ccc21 ZINC000834964847 587773107 /nfs/dbraw/zinc/77/31/07/587773107.db2.gz HKYWWOZMOKQCSK-JTQLQIEISA-N 1 0 242.326 2.058 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052945 587779633 /nfs/dbraw/zinc/77/96/33/587779633.db2.gz RELAGCRJUVUJBN-KTRBRXNASA-N 1 0 228.339 2.377 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000835396387 587799888 /nfs/dbraw/zinc/79/98/88/587799888.db2.gz MPEKKVCBWPJZTA-VXGBXAGGSA-N 1 0 237.343 2.369 20 30 BEEDRO C#CCCCC(=O)OCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000835603091 587808623 /nfs/dbraw/zinc/80/86/23/587808623.db2.gz MQQOORSXQYPICQ-AGUYFDCRSA-N 1 0 249.354 2.206 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)[C@@H]1C[C@H]1C)[C@@H]1CCCO1 ZINC000840744984 587919087 /nfs/dbraw/zinc/91/90/87/587919087.db2.gz BOOWJNNCQKTXRR-POQQGIQPSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)[C@@H]1C[C@@H]1C)[C@H]1CCCO1 ZINC000840744983 587919089 /nfs/dbraw/zinc/91/90/89/587919089.db2.gz BOOWJNNCQKTXRR-MQLXINIDSA-N 1 0 221.344 2.191 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840938731 587930695 /nfs/dbraw/zinc/93/06/95/587930695.db2.gz GBWNQWWGYZYQFS-CQSZACIVSA-N 1 0 248.370 2.088 20 30 BEEDRO CCCC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CC1(C)C ZINC000841634600 587963447 /nfs/dbraw/zinc/96/34/47/587963447.db2.gz VDNZPMZCDLCPJF-UWVGGRQHSA-N 1 0 236.363 2.126 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2COC(C)(C)C2)c1 ZINC000841886396 587981452 /nfs/dbraw/zinc/98/14/52/587981452.db2.gz PQWAKVGPKPKULT-CQSZACIVSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000841902568 587982506 /nfs/dbraw/zinc/98/25/06/587982506.db2.gz DUZXLVWVNPOIPR-VXGBXAGGSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCCCCCCNC(=O)NC[C@H]([NH3+])CC ZINC000841903211 587982526 /nfs/dbraw/zinc/98/25/26/587982526.db2.gz KSOJRSSKLKDAOI-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO COc1ccc(O)c(C[NH2+]CC2(C#N)CCC2)c1 ZINC000841898602 587982892 /nfs/dbraw/zinc/98/28/92/587982892.db2.gz OUWIDCKLEZWONB-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000842150748 588003215 /nfs/dbraw/zinc/00/32/15/588003215.db2.gz XMWQVAWZDAKHJX-OAHLLOKOSA-N 1 0 244.338 2.490 20 30 BEEDRO C#CCCC[NH+]1CCC(OC)(C(F)(F)F)CC1 ZINC000842160790 588004737 /nfs/dbraw/zinc/00/47/37/588004737.db2.gz NBORMRXCUHBRKE-UHFFFAOYSA-N 1 0 249.276 2.443 20 30 BEEDRO CC(C)(CC#N)C[NH2+]CC1(O)CCCCC1 ZINC000842160134 588005052 /nfs/dbraw/zinc/00/50/52/588005052.db2.gz DEDOFMPDEYLZTI-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO C1=C[C@@H]2CC[C@H]1CC2=NNCC[NH+]1CCCCC1 ZINC000842524191 588033084 /nfs/dbraw/zinc/03/30/84/588033084.db2.gz NBKJPCTVHUKJRZ-UONOGXRCSA-N 1 0 247.386 2.404 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cn2cccnc2=S)C1 ZINC000842630187 588046694 /nfs/dbraw/zinc/04/66/94/588046694.db2.gz ZKOOMIAORVKEDZ-LBPRGKRZSA-N 1 0 247.367 2.305 20 30 BEEDRO C=CCCc1noc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000843237904 588094761 /nfs/dbraw/zinc/09/47/61/588094761.db2.gz HTSLKAAYIYQDLU-YOGCLGLASA-N 1 0 247.342 2.261 20 30 BEEDRO C=CCC(C)(C)c1noc(C[NH2+]CC2CC2)n1 ZINC000843235958 588094888 /nfs/dbraw/zinc/09/48/88/588094888.db2.gz XKHPAOOTLVSYBZ-UHFFFAOYSA-N 1 0 235.331 2.423 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000843422055 588107987 /nfs/dbraw/zinc/10/79/87/588107987.db2.gz BLPWNDVLCFUJGM-CHWSQXEVSA-N 1 0 223.385 2.475 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000843429052 588108833 /nfs/dbraw/zinc/10/88/33/588108833.db2.gz TWQQVGLJADTSPY-UHFFFAOYSA-N 1 0 203.285 2.433 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000844431267 588192354 /nfs/dbraw/zinc/19/23/54/588192354.db2.gz OVGOFVVJPVAIRX-HUBLWGQQSA-N 1 0 229.389 2.162 20 30 BEEDRO C=C(C)CON=C1CC[N@@H+](CC)C[C@@H]1C ZINC000844618810 588208675 /nfs/dbraw/zinc/20/86/75/588208675.db2.gz IYDUATDAAOKVPF-NSHDSACASA-N 1 0 210.321 2.297 20 30 BEEDRO C=C(C)CON=C1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000844618994 588208943 /nfs/dbraw/zinc/20/89/43/588208943.db2.gz QUDNIYSJZOALKG-SNVBAGLBSA-N 1 0 208.305 2.192 20 30 BEEDRO C=C[C@@H](C)ON=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000844621319 588209330 /nfs/dbraw/zinc/20/93/30/588209330.db2.gz GFLQVUXOCARXCO-NXEZZACHSA-N 1 0 208.305 2.048 20 30 BEEDRO C=C[C@H](C)ON=Cc1c[nH+]ccc1N(C)C ZINC000844622341 588209986 /nfs/dbraw/zinc/20/99/86/588209986.db2.gz YCTAAVNTRIKIRR-JTQLQIEISA-N 1 0 219.288 2.073 20 30 BEEDRO C=C[C@H](C)O[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000844625644 588211019 /nfs/dbraw/zinc/21/10/19/588211019.db2.gz SJHZHAOQGWNBLL-LBPRGKRZSA-N 1 0 248.326 2.040 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C(=O)CC12CCCC2 ZINC000844695509 588214326 /nfs/dbraw/zinc/21/43/26/588214326.db2.gz UGZXOSZEZOCRRQ-UHFFFAOYSA-N 1 0 236.359 2.387 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)C[C@@H](C)n1ccnc1 ZINC000845598541 588234891 /nfs/dbraw/zinc/23/48/91/588234891.db2.gz PDEFIWNVCZZIQO-VXGBXAGGSA-N 1 0 234.299 2.179 20 30 BEEDRO C=CCCC(=O)OC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000845740576 588243323 /nfs/dbraw/zinc/24/33/23/588243323.db2.gz QDOVPGCJFVYPDQ-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC(C)(C)C(=O)OC[C@@]12CC[N@H+](C1)CCC2 ZINC000845798990 588245776 /nfs/dbraw/zinc/24/57/76/588245776.db2.gz JJFIBTOABDARGB-AWEZNQCLSA-N 1 0 237.343 2.228 20 30 BEEDRO C=CC(C)(C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845821077 588246312 /nfs/dbraw/zinc/24/63/12/588246312.db2.gz LXQVWXAQUKXNRY-MNOVXSKESA-N 1 0 225.332 2.082 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCO)C2CC2)C1 ZINC000845939892 588250945 /nfs/dbraw/zinc/25/09/45/588250945.db2.gz TZCSPLKIFNLLIG-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc2cnccc2o1 ZINC000845942786 588250973 /nfs/dbraw/zinc/25/09/73/588250973.db2.gz WVLLRGKGBCEHBF-UHFFFAOYSA-N 1 0 246.335 2.284 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000845963154 588251999 /nfs/dbraw/zinc/25/19/99/588251999.db2.gz MDYLKGKHWVGZJU-AEJSXWLSSA-N 1 0 237.265 2.244 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc2cnccc2o1 ZINC000845972872 588252217 /nfs/dbraw/zinc/25/22/17/588252217.db2.gz QHAMWFVEBLYSEL-NSHDSACASA-N 1 0 214.268 2.329 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC000846172609 588259170 /nfs/dbraw/zinc/25/91/70/588259170.db2.gz ZNYCSTGQTYAYLO-LSDHHAIUSA-N 1 0 234.387 2.276 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000846694836 588283130 /nfs/dbraw/zinc/28/31/30/588283130.db2.gz RIRXMMBJYCSPSV-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)CC2(C)C)nn1 ZINC000846812045 588290433 /nfs/dbraw/zinc/29/04/33/588290433.db2.gz RPTNOZAOEBRTNS-GFCCVEGCSA-N 1 0 248.374 2.475 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccncc1C#N ZINC000846963413 588298773 /nfs/dbraw/zinc/29/87/73/588298773.db2.gz VXVVFFFYTLVKJQ-LBPRGKRZSA-N 1 0 215.300 2.231 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000846966564 588298846 /nfs/dbraw/zinc/29/88/46/588298846.db2.gz CBGXTUYJHVFSQD-ZDUSSCGKSA-N 1 0 214.312 2.203 20 30 BEEDRO CCOC(C[N@H+](CC)[C@H](C)CCC#N)OCC ZINC000846978310 588300026 /nfs/dbraw/zinc/30/00/26/588300026.db2.gz YPHYNXAJDVYFFE-GFCCVEGCSA-N 1 0 242.363 2.400 20 30 BEEDRO CCCCCCC[NH+]1CCN(OC)CC1 ZINC000846977865 588300037 /nfs/dbraw/zinc/30/00/37/588300037.db2.gz UPYJKMMMPIBOGO-UHFFFAOYSA-N 1 0 214.353 2.136 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(Br)CC1 ZINC000846983505 588300481 /nfs/dbraw/zinc/30/04/81/588300481.db2.gz UCAGWLARRGOZSI-QMMMGPOBSA-N 1 0 231.137 2.196 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCO[C@H](C)C2)C1 ZINC000847019870 588301639 /nfs/dbraw/zinc/30/16/39/588301639.db2.gz SVNPNLGIAQPZDL-MGPQQGTHSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCC2CCOCC2)C1 ZINC000847018493 588302006 /nfs/dbraw/zinc/30/20/06/588302006.db2.gz KNGQEZJYRKCWLU-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1 ZINC000847018748 588302061 /nfs/dbraw/zinc/30/20/61/588302061.db2.gz MLTBXPAIMFYYSO-LLVKDONJSA-N 1 0 241.294 2.068 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCc2scnc2C)C1 ZINC000847019062 588302188 /nfs/dbraw/zinc/30/21/88/588302188.db2.gz OHUGAXCYUWXIKY-GFCCVEGCSA-N 1 0 234.368 2.339 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000847019532 588302383 /nfs/dbraw/zinc/30/23/83/588302383.db2.gz RCMZFWXCLWZHIT-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000847021022 588302930 /nfs/dbraw/zinc/30/29/30/588302930.db2.gz HPIXKNJFGGOVMK-STQMWFEESA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@@H]1CCCN(Cc2noc(CCCC)n2)C1 ZINC000847022241 588302977 /nfs/dbraw/zinc/30/29/77/588302977.db2.gz GKHKZHFLVGNOGJ-GFCCVEGCSA-N 1 0 247.342 2.257 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(F)c2)C1 ZINC000847023051 588303202 /nfs/dbraw/zinc/30/32/02/588303202.db2.gz KTBPZQAGLWIVLS-SWLSCSKDSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCOCCC(C)C)C1 ZINC000847023010 588303385 /nfs/dbraw/zinc/30/33/85/588303385.db2.gz KMQNYBLEZSUKEM-CQSZACIVSA-N 1 0 223.360 2.394 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCOc2ccccc2)C1 ZINC000847028684 588304149 /nfs/dbraw/zinc/30/41/49/588304149.db2.gz JZMYEVFMUSYGFW-CQSZACIVSA-N 1 0 229.323 2.411 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000847038066 588304667 /nfs/dbraw/zinc/30/46/67/588304667.db2.gz VZFBIVCAMHJIEL-CYBMUJFWSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCC(C)(C)C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847817719 588331961 /nfs/dbraw/zinc/33/19/61/588331961.db2.gz BSBYJNNMQXHWCL-LBPRGKRZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847822800 588333706 /nfs/dbraw/zinc/33/37/06/588333706.db2.gz BFODFORYVQTHOV-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO CC(C)CN=NC1CCC[N@@H+]2CCCC[C@H]12 ZINC000848408268 588379105 /nfs/dbraw/zinc/37/91/05/588379105.db2.gz ZOWIVKRCUVAXJM-CYBMUJFWSA-N 1 0 223.364 2.236 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000848535974 588393644 /nfs/dbraw/zinc/39/36/44/588393644.db2.gz MMQVZCDQEHMQFR-GFCCVEGCSA-N 1 0 217.316 2.111 20 30 BEEDRO C=CCNC(=O)C[NH2+]Cc1ccccc1C(C)C ZINC000848547143 588395841 /nfs/dbraw/zinc/39/58/41/588395841.db2.gz KBESMBUHTLHOCO-UHFFFAOYSA-N 1 0 246.354 2.202 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cn2)CS1 ZINC000848548335 588395993 /nfs/dbraw/zinc/39/59/93/588395993.db2.gz VEUVPSJDXGHFHB-GXFFZTMASA-N 1 0 247.367 2.327 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)CS1 ZINC000848548197 588396072 /nfs/dbraw/zinc/39/60/72/588396072.db2.gz VEUVPSJDXGHFHB-GWCFXTLKSA-N 1 0 247.367 2.327 20 30 BEEDRO C=CCC(C)(C)c1noc(CC[NH2+]C2CC2)n1 ZINC000848629437 588402644 /nfs/dbraw/zinc/40/26/44/588402644.db2.gz BQSVQLXTPOCDHK-UHFFFAOYSA-N 1 0 235.331 2.218 20 30 BEEDRO C=CCN(Cc1cnc(Cl)n1C)C1CC1 ZINC000848903080 588418336 /nfs/dbraw/zinc/41/83/36/588418336.db2.gz XUXBXIQECVSJKJ-UHFFFAOYSA-N 1 0 225.723 2.224 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2(SC)CC2)C1 ZINC000848924074 588419493 /nfs/dbraw/zinc/41/94/93/588419493.db2.gz MZXZPXKOEDQITR-NSHDSACASA-N 1 0 209.358 2.227 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000848923352 588421206 /nfs/dbraw/zinc/42/12/06/588421206.db2.gz CCTNDBUIHZUGPY-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO CN1CC[NH+]=C1NCCCSc1ccccc1 ZINC000848981122 588423610 /nfs/dbraw/zinc/42/36/10/588423610.db2.gz NWEWJXSAJWDDLE-UHFFFAOYSA-N 1 0 249.383 2.060 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000848985881 588425263 /nfs/dbraw/zinc/42/52/63/588425263.db2.gz AUFWQOLTMANWJN-GXSJLCMTSA-N 1 0 233.315 2.203 20 30 BEEDRO CCNC(NC[C@@H]1CCCC(F)(F)C1)=[NH+]CC ZINC000848987366 588426464 /nfs/dbraw/zinc/42/64/64/588426464.db2.gz RVSZRTHXZDCOGC-SNVBAGLBSA-N 1 0 247.333 2.387 20 30 BEEDRO CCCCCCCCNC(=[NH2+])N1CCOCC1 ZINC000848991923 588427299 /nfs/dbraw/zinc/42/72/99/588427299.db2.gz PPBYVZDUCWWTFP-UHFFFAOYSA-N 1 0 241.379 2.203 20 30 BEEDRO N#CCCCCNC(=[NH2+])NCCc1ccccc1 ZINC000849003104 588431282 /nfs/dbraw/zinc/43/12/82/588431282.db2.gz FWSZJDLMPCTLQD-UHFFFAOYSA-N 1 0 244.342 2.037 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCCCC(C)(C)C)N1 ZINC000849003133 588431299 /nfs/dbraw/zinc/43/12/99/588431299.db2.gz KAWHEJRMAPZYFU-SNVBAGLBSA-N 1 0 211.353 2.140 20 30 BEEDRO C[C@H](C#N)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849003757 588431670 /nfs/dbraw/zinc/43/16/70/588431670.db2.gz DWHRPSVRWXWWNR-SSDOTTSWSA-N 1 0 238.241 2.061 20 30 BEEDRO C[C@H](C#N)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000849003926 588431695 /nfs/dbraw/zinc/43/16/95/588431695.db2.gz OJMBBEBJPQMZHT-SNVBAGLBSA-N 1 0 242.326 2.271 20 30 BEEDRO [NH2+]=C(NCC#Cc1ccccc1)N1CCCCC1 ZINC000849004962 588432004 /nfs/dbraw/zinc/43/20/04/588432004.db2.gz LLAUWZODSYQZSH-UHFFFAOYSA-N 1 0 241.338 2.048 20 30 BEEDRO C#CCCNC(=[NH2+])NCCCCCCCC ZINC000849008716 588433854 /nfs/dbraw/zinc/43/38/54/588433854.db2.gz PDVVBQZMSFQJJM-UHFFFAOYSA-N 1 0 223.364 2.484 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000849010497 588434654 /nfs/dbraw/zinc/43/46/54/588434654.db2.gz SOUCJTQOKNPZOO-KBPBESRZSA-N 1 0 243.354 2.308 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000849010150 588434771 /nfs/dbraw/zinc/43/47/71/588434771.db2.gz FFVRVEWMJSLGCP-UKRRQHHQSA-N 1 0 243.354 2.044 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000849010576 588434832 /nfs/dbraw/zinc/43/48/32/588434832.db2.gz SOUCJTQOKNPZOO-KGLIPLIRSA-N 1 0 243.354 2.308 20 30 BEEDRO C[NH+]=C(NCCCc1cccs1)NC1CC1 ZINC000849015495 588436833 /nfs/dbraw/zinc/43/68/33/588436833.db2.gz VIBKDKDJOWLWJP-UHFFFAOYSA-N 1 0 237.372 2.008 20 30 BEEDRO N#CCCCNC(=[NH2+])NC1CCCCCC1 ZINC000849017386 588437381 /nfs/dbraw/zinc/43/73/81/588437381.db2.gz FYYGARUHSIRIMP-UHFFFAOYSA-N 1 0 222.336 2.127 20 30 BEEDRO C[NH+]=C(NC[C@H](SC)C(C)(C)C)NC1CC1 ZINC000849018301 588437657 /nfs/dbraw/zinc/43/76/57/588437657.db2.gz ZLNPUJSCPDIRKQ-JTQLQIEISA-N 1 0 243.420 2.092 20 30 BEEDRO C=CCCCNC(=[NH2+])NCCc1ccccc1 ZINC000849024486 588439749 /nfs/dbraw/zinc/43/97/49/588439749.db2.gz YPRQTXGSQJKGQJ-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO CC(C)(CCC#N)CNC(=[NH2+])NC1CCCC1 ZINC000849028900 588441876 /nfs/dbraw/zinc/44/18/76/588441876.db2.gz MBSDADZJEOKGFM-UHFFFAOYSA-N 1 0 236.363 2.373 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028942 588441885 /nfs/dbraw/zinc/44/18/85/588441885.db2.gz PVVKWBSKJBYBAX-UHFFFAOYSA-N 1 0 224.352 2.229 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028901 588442015 /nfs/dbraw/zinc/44/20/15/588442015.db2.gz MMNMQORAAMJVNS-UHFFFAOYSA-N 1 0 238.379 2.476 20 30 BEEDRO CNC(NCc1ccc(C(C)(F)F)cc1)=[NH+]C ZINC000849031084 588442672 /nfs/dbraw/zinc/44/26/72/588442672.db2.gz UCOUVOKZKZVABK-UHFFFAOYSA-N 1 0 241.285 2.093 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000849038261 588446402 /nfs/dbraw/zinc/44/64/02/588446402.db2.gz KOFKEEPCVBKZHU-VIFPVBQESA-N 1 0 248.305 2.110 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCC(C)(C)CC#N ZINC000849040955 588447793 /nfs/dbraw/zinc/44/77/93/588447793.db2.gz ZHWVNTFGBWPVNB-UHFFFAOYSA-N 1 0 224.352 2.086 20 30 BEEDRO CNC(NCC1(C)CCC(C)(C)CC1)=[NH+]C ZINC000849042431 588448177 /nfs/dbraw/zinc/44/81/77/588448177.db2.gz NEQZYKGFJWHBJS-UHFFFAOYSA-N 1 0 225.380 2.388 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(C)cc1 ZINC000849045545 588449603 /nfs/dbraw/zinc/44/96/03/588449603.db2.gz MEINRZIJCGUKFC-QWHCGFSZSA-N 1 0 229.327 2.151 20 30 BEEDRO CNC(NCc1cccc2ccsc21)=[NH+]C ZINC000849046422 588450152 /nfs/dbraw/zinc/45/01/52/588450152.db2.gz GFFYPSSBIIAAOP-UHFFFAOYSA-N 1 0 233.340 2.196 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(C#N)CCCC2)C1 ZINC000849046389 588450290 /nfs/dbraw/zinc/45/02/90/588450290.db2.gz DUBJDBGKURVIOV-LBPRGKRZSA-N 1 0 248.374 2.327 20 30 BEEDRO C=C(C)CNC(=[NH2+])Nc1cc(F)ccc1F ZINC000849080526 588452185 /nfs/dbraw/zinc/45/21/85/588452185.db2.gz VDEDNOLTEJDRKJ-UHFFFAOYSA-N 1 0 225.242 2.477 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000849326527 588472866 /nfs/dbraw/zinc/47/28/66/588472866.db2.gz FTQIEEXAKFLPMH-ZDUSSCGKSA-N 1 0 223.291 2.333 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@@H](CC)C2)c1 ZINC000850321847 588536986 /nfs/dbraw/zinc/53/69/86/588536986.db2.gz NSJASQKTSXSMMK-GJZGRUSLSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCC[NH2+]Cc1c(O)cccc1OC ZINC000850354627 588538549 /nfs/dbraw/zinc/53/85/49/588538549.db2.gz QSDCZUQCLZOWKG-UHFFFAOYSA-N 1 0 207.273 2.067 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000850377379 588540476 /nfs/dbraw/zinc/54/04/76/588540476.db2.gz CMJCAFMOUMSNKE-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cc2cnccc2o1 ZINC000850421812 588545682 /nfs/dbraw/zinc/54/56/82/588545682.db2.gz ZINKFUZIVBRULG-VIFPVBQESA-N 1 0 200.241 2.112 20 30 BEEDRO C=C(Cl)C[NH2+]C1CC(CF)(CF)C1 ZINC000850444908 588547147 /nfs/dbraw/zinc/54/71/47/588547147.db2.gz XZHJCUOQKILLPK-UHFFFAOYSA-N 1 0 209.667 2.416 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)C1(OC)CCC1 ZINC000850445862 588547194 /nfs/dbraw/zinc/54/71/94/588547194.db2.gz XEEWXCRUTPABEA-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000109348540 588547623 /nfs/dbraw/zinc/54/76/23/588547623.db2.gz ZROIKZSXOORJLF-CYBMUJFWSA-N 1 0 240.391 2.415 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850460307 588547842 /nfs/dbraw/zinc/54/78/42/588547842.db2.gz XHTAWICUIODBLA-LLVKDONJSA-N 1 0 244.294 2.128 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000850459921 588547972 /nfs/dbraw/zinc/54/79/72/588547972.db2.gz KEGANIKTQUKGEK-KBPBESRZSA-N 1 0 221.344 2.361 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)OC ZINC000850478036 588549474 /nfs/dbraw/zinc/54/94/74/588549474.db2.gz MUUPYDRONOUFPO-OLZOCXBDSA-N 1 0 226.364 2.204 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCN(C)C(=O)OC ZINC000850551525 588559791 /nfs/dbraw/zinc/55/97/91/588559791.db2.gz WKWRHIKJTPOEBQ-LBPRGKRZSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851660626 588613555 /nfs/dbraw/zinc/61/35/55/588613555.db2.gz VFRWLKLQWFGHBN-LBPRGKRZSA-N 1 0 241.379 2.030 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000851714185 588615576 /nfs/dbraw/zinc/61/55/76/588615576.db2.gz GCWKBIVXFWSVFB-INIZCTEOSA-N 1 0 243.350 2.343 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2sccc2[C@@H]1C ZINC000851717099 588616425 /nfs/dbraw/zinc/61/64/25/588616425.db2.gz HTPYKHSOAPDZAD-NSHDSACASA-N 1 0 235.352 2.317 20 30 BEEDRO C#CCOCC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000851786376 588628750 /nfs/dbraw/zinc/62/87/50/588628750.db2.gz ZQJRKMCYTOWUCK-HZSPNIEDSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCOCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1 ZINC000851801723 588630682 /nfs/dbraw/zinc/63/06/82/588630682.db2.gz RKMKHRLXKNVSCC-ZDUSSCGKSA-N 1 0 247.338 2.425 20 30 BEEDRO C#CCOCC[N@H+]1C[C@@H](C)[C@@H]1c1ccccc1 ZINC000851800717 588630867 /nfs/dbraw/zinc/63/08/67/588630867.db2.gz PHZDJAOWDNDPHA-UKRRQHHQSA-N 1 0 229.323 2.329 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)[C@@H]1c1ccccc1 ZINC000851800715 588630960 /nfs/dbraw/zinc/63/09/60/588630960.db2.gz PHZDJAOWDNDPHA-DZGCQCFKSA-N 1 0 229.323 2.329 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)nc(C)n1)C1CCCC1 ZINC000851807417 588631789 /nfs/dbraw/zinc/63/17/89/588631789.db2.gz DZMRWALHJSWBRK-UHFFFAOYSA-N 1 0 243.354 2.471 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000851813208 588632821 /nfs/dbraw/zinc/63/28/21/588632821.db2.gz QOAMGNZTHLCEHY-OAHLLOKOSA-N 1 0 244.338 2.177 20 30 BEEDRO C[C@@H]1COCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000851865823 588636549 /nfs/dbraw/zinc/63/65/49/588636549.db2.gz IQDPHEHVXLJEHR-ZDUSSCGKSA-N 1 0 244.338 2.069 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000851872702 588637883 /nfs/dbraw/zinc/63/78/83/588637883.db2.gz JKSBAHNAGQUJMH-HOTGVXAUSA-N 1 0 248.414 2.454 20 30 BEEDRO COC(CC[NH2+][C@H](C)c1cccc(C#N)c1)OC ZINC000851900095 588641640 /nfs/dbraw/zinc/64/16/40/588641640.db2.gz PBRWTTOLLCKDEW-LLVKDONJSA-N 1 0 248.326 2.218 20 30 BEEDRO C#CCOCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000851904162 588642137 /nfs/dbraw/zinc/64/21/37/588642137.db2.gz WAOHXIQIIOPOTE-UHFFFAOYSA-N 1 0 233.286 2.054 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH+]2CCC(C)(C#N)CC2)C1 ZINC000851912113 588642931 /nfs/dbraw/zinc/64/29/31/588642931.db2.gz JLSAVYYYPGOSDM-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1 ZINC000851918929 588643453 /nfs/dbraw/zinc/64/34/53/588643453.db2.gz GBNLVJSRXMFGDW-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)CC(C)(C)C1 ZINC000851923818 588644229 /nfs/dbraw/zinc/64/42/29/588644229.db2.gz XLMHXALSOJVQSP-GFCCVEGCSA-N 1 0 209.333 2.004 20 30 BEEDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@](C)(C#N)C2)C1 ZINC000851922655 588644383 /nfs/dbraw/zinc/64/43/83/588644383.db2.gz JRBHZJLLNFUESQ-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@H]1CCC ZINC000851935913 588645897 /nfs/dbraw/zinc/64/58/97/588645897.db2.gz YZAZYUXUSXGEJY-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H]([NH2+]CCC=C(C)C)[C@H]1CCCO1 ZINC000851949165 588647043 /nfs/dbraw/zinc/64/70/43/588647043.db2.gz BCVNTENMNUSTAA-QWHCGFSZSA-N 1 0 207.317 2.113 20 30 BEEDRO C#CCOCC[NH+]1CCC(C)(C(C)C)CC1 ZINC000851955776 588647678 /nfs/dbraw/zinc/64/76/78/588647678.db2.gz KUOFGWJZEBTDJQ-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC(C)(C)N(C)CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000851986234 588651866 /nfs/dbraw/zinc/65/18/66/588651866.db2.gz GECYUDFCOJSVOT-KBPBESRZSA-N 1 0 236.403 2.308 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@](F)(c2ccccc2)C1 ZINC000852017802 588655865 /nfs/dbraw/zinc/65/58/65/588655865.db2.gz GEDGHCZGZJGVTN-HNNXBMFYSA-N 1 0 247.313 2.207 20 30 BEEDRO C#CC[N@@H+](CCOC(F)F)Cc1ccccc1 ZINC000852046426 588657547 /nfs/dbraw/zinc/65/75/47/588657547.db2.gz STKCEWLWCXBXDU-UHFFFAOYSA-N 1 0 239.265 2.361 20 30 BEEDRO CO[C@H]1CC[C@H]([N@H+](C)CC(C)(C)C#N)C1 ZINC000852088544 588660873 /nfs/dbraw/zinc/66/08/73/588660873.db2.gz KRXKIQSFALGTLO-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1cccc(OC)c1 ZINC000852099902 588662573 /nfs/dbraw/zinc/66/25/73/588662573.db2.gz CIIREZZHDXVARW-OAHLLOKOSA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000852101359 588662943 /nfs/dbraw/zinc/66/29/43/588662943.db2.gz DFXWQRKYWDJRHZ-LSDHHAIUSA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000852102354 588663265 /nfs/dbraw/zinc/66/32/65/588663265.db2.gz WXYUJJHKZAKVHW-HOTGVXAUSA-N 1 0 245.366 2.372 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCSCC#N ZINC000852102889 588663337 /nfs/dbraw/zinc/66/33/37/588663337.db2.gz SIGGQGLRXFGUDN-NSHDSACASA-N 1 0 210.346 2.025 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1cncs1 ZINC000852103756 588663896 /nfs/dbraw/zinc/66/38/96/588663896.db2.gz QEMAUOFVHZLFSQ-NSHDSACASA-N 1 0 208.330 2.077 20 30 BEEDRO C#CCOCC[N@@H+]1CCCc2ccccc2CC1 ZINC000852139905 588666497 /nfs/dbraw/zinc/66/64/97/588666497.db2.gz GCAADUDKEMVROH-UHFFFAOYSA-N 1 0 243.350 2.127 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000852206325 588671339 /nfs/dbraw/zinc/67/13/39/588671339.db2.gz HCLOZVQOLNYRBB-NEPJUHHUSA-N 1 0 243.297 2.146 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@H](C)C2)C1 ZINC000852206501 588671673 /nfs/dbraw/zinc/67/16/73/588671673.db2.gz KXNPOTAARCCUBW-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](OC)C2)C1 ZINC000852207001 588671780 /nfs/dbraw/zinc/67/17/80/588671780.db2.gz WTJVLVOSLVIABK-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccc(F)n2)C1 ZINC000852206757 588671838 /nfs/dbraw/zinc/67/18/38/588671838.db2.gz REXFHZNWTVSQGE-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1OCCO1 ZINC000852303726 588677503 /nfs/dbraw/zinc/67/75/03/588677503.db2.gz XZVXZWGYCVFGQL-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1OCCO1 ZINC000852303723 588677567 /nfs/dbraw/zinc/67/75/67/588677567.db2.gz XZVXZWGYCVFGQL-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCN(CC(=C)Cl)[C@H](C)COC ZINC000852357054 588679627 /nfs/dbraw/zinc/67/96/27/588679627.db2.gz WLARNIGSCSKRIS-SNVBAGLBSA-N 1 0 203.713 2.262 20 30 BEEDRO C=CC[N@H+](C[C@H](O)c1ccccc1)[C@@H](C)COC ZINC000852357235 588679840 /nfs/dbraw/zinc/67/98/40/588679840.db2.gz YIOUQDXVNVVCIK-ZFWWWQNUSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCN2CCCC2)C1 ZINC000852410059 588681334 /nfs/dbraw/zinc/68/13/34/588681334.db2.gz GXPIMNKTUOODBQ-AWEZNQCLSA-N 1 0 222.376 2.370 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCC2OCCCO2)C1 ZINC000852410985 588681513 /nfs/dbraw/zinc/68/15/13/588681513.db2.gz QUWVTNHHTSDZSW-ZDUSSCGKSA-N 1 0 239.359 2.428 20 30 BEEDRO C#CCCCN[C@@]1(C(=O)OC)CC[C@H](C)CC1 ZINC000852472154 588683141 /nfs/dbraw/zinc/68/31/41/588683141.db2.gz ZAUNTCALVRVZEN-MQMHXKEQSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000852495383 588685626 /nfs/dbraw/zinc/68/56/26/588685626.db2.gz JKLPZFALRVWQDL-RDBSUJKOSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000852591906 588692307 /nfs/dbraw/zinc/69/23/07/588692307.db2.gz BKSHKTSWYZUKGG-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC1([NH2+]CC[C@H]2CCOC2=O)CCCC1 ZINC000852588178 588692398 /nfs/dbraw/zinc/69/23/98/588692398.db2.gz PJTPVXIEXOCLSP-LBPRGKRZSA-N 1 0 237.343 2.418 20 30 BEEDRO C#CCN(CC(=O)OC(C)(C)C)CC(C)(C)C ZINC000852663735 588694282 /nfs/dbraw/zinc/69/42/82/588694282.db2.gz SLQYEIWMHBZPCX-UHFFFAOYSA-N 1 0 239.359 2.309 20 30 BEEDRO C[C@]1(C#N)CCN(C[C@H](O)c2ccccc2F)C1 ZINC000852685505 588695954 /nfs/dbraw/zinc/69/59/54/588695954.db2.gz XBZLDPNIYCCFPR-UONOGXRCSA-N 1 0 248.301 2.095 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1COC(C)(C)O1 ZINC000852687264 588696255 /nfs/dbraw/zinc/69/62/55/588696255.db2.gz IAMOSZPLWVPOEB-FRRDWIJNSA-N 1 0 237.343 2.321 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccsc1 ZINC000852748477 588699665 /nfs/dbraw/zinc/69/96/65/588699665.db2.gz AGXNKBHOCGOHSF-UHFFFAOYSA-N 1 0 223.341 2.220 20 30 BEEDRO C#CCCN(CCOC)Cc1cc(C2CC2)no1 ZINC000852750244 588699803 /nfs/dbraw/zinc/69/98/03/588699803.db2.gz PJNSDPWEEIOWNR-UHFFFAOYSA-N 1 0 248.326 2.024 20 30 BEEDRO C=CC[C@@H](C=C)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000860924749 589133267 /nfs/dbraw/zinc/13/32/67/589133267.db2.gz BTKPOUSPTGUTTP-NEPJUHHUSA-N 1 0 225.332 2.247 20 30 BEEDRO C=CCC(CC=C)C(=O)OCC[NH+]1CCC1 ZINC000861387192 589162653 /nfs/dbraw/zinc/16/26/53/589162653.db2.gz AWMVKMUAJJSLOM-UHFFFAOYSA-N 1 0 223.316 2.004 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc2n[nH]cc21 ZINC000862233272 589195850 /nfs/dbraw/zinc/19/58/50/589195850.db2.gz JDBHIWBKSIIRHL-UHFFFAOYSA-N 1 0 213.284 2.018 20 30 BEEDRO CCCCCCCNC(=O)C[N@H+](C)CCC ZINC000862360102 589203763 /nfs/dbraw/zinc/20/37/63/589203763.db2.gz XLCHUSMFJJPGDI-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000862363387 589203989 /nfs/dbraw/zinc/20/39/89/589203989.db2.gz OPUYXYACXAPJOS-VIFPVBQESA-N 1 0 238.281 2.142 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@]1(C)CCCS1 ZINC000862418286 589205709 /nfs/dbraw/zinc/20/57/09/589205709.db2.gz LUZSGHROKCGQNE-CYBMUJFWSA-N 1 0 241.400 2.244 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCO)[C@H](C)CC)cc1 ZINC000862387292 589207394 /nfs/dbraw/zinc/20/73/94/589207394.db2.gz JMQXYOFKQQKGPD-CYBMUJFWSA-N 1 0 231.339 2.261 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000862400231 589209143 /nfs/dbraw/zinc/20/91/43/589209143.db2.gz QUZSQQWIZUMREE-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnc(F)c2C)CC1 ZINC000862400443 589209248 /nfs/dbraw/zinc/20/92/48/589209248.db2.gz XPHRJUVFCXOPBK-UHFFFAOYSA-N 1 0 232.302 2.374 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnn[nH]1 ZINC000862424271 589211676 /nfs/dbraw/zinc/21/16/76/589211676.db2.gz KMQBDZJVKCNPSX-LLVKDONJSA-N 1 0 222.336 2.419 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)C1CCOCC1 ZINC000862419002 589211893 /nfs/dbraw/zinc/21/18/93/589211893.db2.gz MVZPXGTZSZSUSM-VCOSZWKGSA-N 1 0 247.382 2.439 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(C)nn2)C1 ZINC000862441715 589213516 /nfs/dbraw/zinc/21/35/16/589213516.db2.gz UPVYEUOHWDSCLH-LBPRGKRZSA-N 1 0 217.316 2.183 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(OC)c2O)C1 ZINC000862444818 589214555 /nfs/dbraw/zinc/21/45/55/589214555.db2.gz HISVWXKVENMYGU-GFCCVEGCSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000862445633 589214884 /nfs/dbraw/zinc/21/48/84/589214884.db2.gz YOAKLLDTDDCLRC-OLZOCXBDSA-N 1 0 205.301 2.024 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccnc(C)c2)C1 ZINC000862448047 589215038 /nfs/dbraw/zinc/21/50/38/589215038.db2.gz VXCNGWMWIZXROC-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000862547698 589220022 /nfs/dbraw/zinc/22/00/22/589220022.db2.gz MLFPKGSVKDOPJB-BFHYXJOUSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000862549264 589220486 /nfs/dbraw/zinc/22/04/86/589220486.db2.gz YKNLTQLQWMGXIC-HZSPNIEDSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CCC(C)(C)C ZINC000862549161 589220537 /nfs/dbraw/zinc/22/05/37/589220537.db2.gz WHSOQOHQBXAAMM-LBPRGKRZSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)CSCCF ZINC000862548440 589220554 /nfs/dbraw/zinc/22/05/54/589220554.db2.gz GFOOMYRNRYOIMC-NEPJUHHUSA-N 1 0 247.379 2.096 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]CC1Cc2ccccc2C1 ZINC000862551745 589220785 /nfs/dbraw/zinc/22/07/85/589220785.db2.gz YUYWJMYXOFNFIP-INIZCTEOSA-N 1 0 243.350 2.029 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](COC)CC(C)(C)C ZINC000862550145 589220836 /nfs/dbraw/zinc/22/08/36/589220836.db2.gz IXLZVYSMWNTJTN-QWHCGFSZSA-N 1 0 241.375 2.066 20 30 BEEDRO CCC(=[NH+]N[C@H]1CCCOC1)c1ccc(N)cc1 ZINC000863107866 589257269 /nfs/dbraw/zinc/25/72/69/589257269.db2.gz BXGMESRGYWOUFB-ZDUSSCGKSA-N 1 0 247.342 2.152 20 30 BEEDRO CCC(=[NH+]N[C@H]1CCSC1)c1ccc(N)cc1 ZINC000863113739 589258572 /nfs/dbraw/zinc/25/85/72/589258572.db2.gz RCXWQJNPEYJBLC-LBPRGKRZSA-N 1 0 249.383 2.478 20 30 BEEDRO CC[C@@H](C)CON=C1C[N@@H+]2C[C@@H]1CCC2 ZINC000863114175 589258830 /nfs/dbraw/zinc/25/88/30/589258830.db2.gz CLLKCYIWTOGTMU-MNOVXSKESA-N 1 0 210.321 2.131 20 30 BEEDRO CCc1ncc(C=NNc2cc[nH+]cc2C)s1 ZINC000863157005 589263173 /nfs/dbraw/zinc/26/31/73/589263173.db2.gz FXEFTCVGLJBYJZ-UHFFFAOYSA-N 1 0 246.339 2.277 20 30 BEEDRO Cc1c[nH+]ccc1NN=Cc1cnn(C(C)C)c1 ZINC000863157814 589263930 /nfs/dbraw/zinc/26/39/30/589263930.db2.gz UXLVSFOSDRVZDU-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO c1cnn([NH+]=C2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000863163815 589266052 /nfs/dbraw/zinc/26/60/52/589266052.db2.gz PTVQCZGVVRDTPD-VXGBXAGGSA-N 1 0 233.315 2.314 20 30 BEEDRO C=CCN(C)CN1C[C@@H](c2ccccc2)OC1=O ZINC000863264367 589275057 /nfs/dbraw/zinc/27/50/57/589275057.db2.gz GOULLVVABHDBDC-ZDUSSCGKSA-N 1 0 246.310 2.255 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1COCCN1 ZINC000863544672 589298168 /nfs/dbraw/zinc/29/81/68/589298168.db2.gz BDFWNZMOFIYYAP-UONOGXRCSA-N 1 0 240.391 2.089 20 30 BEEDRO CCNC(NCc1cccc2[nH]ccc21)=[NH+]CC ZINC000864358123 589355467 /nfs/dbraw/zinc/35/54/67/589355467.db2.gz KKCLKCQTPRTRLY-UHFFFAOYSA-N 1 0 244.342 2.243 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864467769 589372144 /nfs/dbraw/zinc/37/21/44/589372144.db2.gz YRYMRNFUESTUJS-ZJUUUORDSA-N 1 0 209.337 2.111 20 30 BEEDRO C=CCCCCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864468773 589372371 /nfs/dbraw/zinc/37/23/71/589372371.db2.gz IWXMBHQPDSACRP-WDEREUQCSA-N 1 0 209.337 2.255 20 30 BEEDRO CN(C)C(=[NH2+])NCC(C)(C)C1CCCCC1 ZINC000120500217 589421915 /nfs/dbraw/zinc/42/19/15/589421915.db2.gz PHMUSPBFVKZIEX-UHFFFAOYSA-N 1 0 225.380 2.469 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865587385 589449133 /nfs/dbraw/zinc/44/91/33/589449133.db2.gz NFQMWDMELXRIBZ-UHFFFAOYSA-N 1 0 230.315 2.024 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865622969 589452054 /nfs/dbraw/zinc/45/20/54/589452054.db2.gz HAIMAYYHUOBSDJ-UHFFFAOYSA-N 1 0 229.327 2.290 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(Cl)c1C ZINC000865631789 589452732 /nfs/dbraw/zinc/45/27/32/589452732.db2.gz ITGPJEXTCAZHED-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865691749 589456428 /nfs/dbraw/zinc/45/64/28/589456428.db2.gz FNPAFDSYGVKOGF-YHQUGGNUSA-N 1 0 248.370 2.329 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]Cc1cc[nH]c1)C2 ZINC000865848035 589464744 /nfs/dbraw/zinc/46/47/44/589464744.db2.gz KJGAFRDGZBNURT-HNNXBMFYSA-N 1 0 237.306 2.143 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccccn1)C2 ZINC000865848484 589464944 /nfs/dbraw/zinc/46/49/44/589464944.db2.gz OCMQGJPGEGEUHU-MRXNPFEDSA-N 1 0 249.317 2.210 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CC)C[C@H](C)O)cc1 ZINC000865874445 589466722 /nfs/dbraw/zinc/46/67/22/589466722.db2.gz XLOKULGGABKLIB-WFASDCNBSA-N 1 0 231.339 2.307 20 30 BEEDRO C#CCCCOC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000120891866 589475626 /nfs/dbraw/zinc/47/56/26/589475626.db2.gz LGMCZUWQPDLFGS-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCCc2ncccc21 ZINC000866300876 589484723 /nfs/dbraw/zinc/48/47/23/589484723.db2.gz YKZZRQMTBMKGPX-AWEZNQCLSA-N 1 0 246.379 2.415 20 30 BEEDRO COC(C)(C)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000866504361 589497633 /nfs/dbraw/zinc/49/76/33/589497633.db2.gz DXVUTCRUYNYEFL-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO COC(C)(C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000866505259 589498162 /nfs/dbraw/zinc/49/81/62/589498162.db2.gz JSBHVVRCCDEOJF-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCC(C)(C)CC ZINC000870291865 589655759 /nfs/dbraw/zinc/65/57/59/589655759.db2.gz OQYFGSHOONZNGB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000123084160 589661061 /nfs/dbraw/zinc/66/10/61/589661061.db2.gz MIDVKGSFGYWEOM-VIFPVBQESA-N 1 0 229.283 2.089 20 30 BEEDRO CC[C@H](C[NH+](C)C)OC(=O)c1ccc(C#N)cc1 ZINC000870552129 589675122 /nfs/dbraw/zinc/67/51/22/589675122.db2.gz OIRIZAJPECOTQV-CYBMUJFWSA-N 1 0 246.310 2.055 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870553993 589675562 /nfs/dbraw/zinc/67/55/62/589675562.db2.gz WYWAAGPUIHTSHJ-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO CC#CCCCC(=O)O[C@H](C[NH+](C)C)C(C)C ZINC000870569585 589676878 /nfs/dbraw/zinc/67/68/78/589676878.db2.gz VAHJTFLEVKAYIC-CYBMUJFWSA-N 1 0 239.359 2.309 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccsc1C ZINC000870688265 589683674 /nfs/dbraw/zinc/68/36/74/589683674.db2.gz LFLFZCBFLPHSBF-UHFFFAOYSA-N 1 0 224.329 2.113 20 30 BEEDRO N#Cc1ccc(CSCC2CC[NH2+]CC2)o1 ZINC000871676191 589788536 /nfs/dbraw/zinc/78/85/36/589788536.db2.gz QLBGNSDGTXBROG-UHFFFAOYSA-N 1 0 236.340 2.384 20 30 BEEDRO C=C(Cl)C[C@H](N)c1nc(CC(C)C)no1 ZINC000871782289 589817427 /nfs/dbraw/zinc/81/74/27/589817427.db2.gz MVOKFOUKLSBVMG-QMMMGPOBSA-N 1 0 229.711 2.411 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)CCOC)CC1 ZINC000871938616 589835228 /nfs/dbraw/zinc/83/52/28/589835228.db2.gz CHZYSTHZNGUGJV-AVGNSLFASA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(O)ccc1F ZINC000872061500 589862965 /nfs/dbraw/zinc/86/29/65/589862965.db2.gz FGLMPLUJGGNHFH-ZJUUUORDSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872061499 589863061 /nfs/dbraw/zinc/86/30/61/589863061.db2.gz FGLMPLUJGGNHFH-VHSXEESVSA-N 1 0 239.290 2.119 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C#N)cc1 ZINC000872127243 589876718 /nfs/dbraw/zinc/87/67/18/589876718.db2.gz RLGHTXJIRMFJBG-BPLDGKMQSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C#N)cc1F ZINC000872126706 589877024 /nfs/dbraw/zinc/87/70/24/589877024.db2.gz OXLGKJDWSUYPMM-YUSALJHKSA-N 1 0 248.301 2.119 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1nonc1C)C1CC1 ZINC000872137078 589879394 /nfs/dbraw/zinc/87/93/94/589879394.db2.gz QHQFFYOJBFWCDX-NSHDSACASA-N 1 0 221.304 2.212 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000872139663 589880220 /nfs/dbraw/zinc/88/02/20/589880220.db2.gz MXMWRFMIIQHBMT-XUXIUFHCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000872140446 589881042 /nfs/dbraw/zinc/88/10/42/589881042.db2.gz NRIITCQQJZOZSE-AJNGGQMLSA-N 1 0 234.387 2.251 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCCC1CC1 ZINC000872232005 589897946 /nfs/dbraw/zinc/89/79/46/589897946.db2.gz XBTSZVJBUUGGAG-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000872242692 589899197 /nfs/dbraw/zinc/89/91/97/589899197.db2.gz FXVQDPUAPWPRPU-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000872242695 589899507 /nfs/dbraw/zinc/89/95/07/589899507.db2.gz FXVQDPUAPWPRPU-NSHDSACASA-N 1 0 247.404 2.002 20 30 BEEDRO C[C@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000872326460 589913276 /nfs/dbraw/zinc/91/32/76/589913276.db2.gz JWEVYLNCTGHJGS-VIFPVBQESA-N 1 0 248.286 2.087 20 30 BEEDRO C[C@@H]1C(=NOCc2ccccc2)CC[N@H+]1C ZINC000872340627 589914357 /nfs/dbraw/zinc/91/43/57/589914357.db2.gz IPZLXKGZJFQVBL-LLVKDONJSA-N 1 0 218.300 2.283 20 30 BEEDRO CCNc1ccccc1C=[NH+]NC[C@@H](C)C#N ZINC000872358545 589918801 /nfs/dbraw/zinc/91/88/01/589918801.db2.gz VDQNASFZJYFLJY-NSHDSACASA-N 1 0 230.315 2.202 20 30 BEEDRO COc1ccc(N=NC2CC[N@H+](C)[C@H]2C)cc1 ZINC000872359521 589918849 /nfs/dbraw/zinc/91/88/49/589918849.db2.gz HRUOWYZVVGZRQY-JTQLQIEISA-N 1 0 233.315 2.187 20 30 BEEDRO C[C@@H]1C(N=Nc2cc(Cl)ccn2)CC[N@@H+]1C ZINC000872364968 589920677 /nfs/dbraw/zinc/92/06/77/589920677.db2.gz YDIPDCMZUVLYOY-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]NCCC(C)(C)C ZINC000872365534 589921520 /nfs/dbraw/zinc/92/15/20/589921520.db2.gz VYTDJWXDSZTVMY-UHFFFAOYSA-N 1 0 234.347 2.332 20 30 BEEDRO CCNc1ccccc1C=[NH+]NCCCOC ZINC000872369423 589922960 /nfs/dbraw/zinc/92/29/60/589922960.db2.gz CNIUWJRYCDZHMA-UHFFFAOYSA-N 1 0 235.331 2.078 20 30 BEEDRO COc1ccccc1CON=C1CC[N@H+](C)[C@H]1C ZINC000872371429 589923916 /nfs/dbraw/zinc/92/39/16/589923916.db2.gz KDMBOJSDQQPPFM-NSHDSACASA-N 1 0 248.326 2.292 20 30 BEEDRO C#CCO[NH+]=Cc1ccccc1NCC ZINC000872375066 589925222 /nfs/dbraw/zinc/92/52/22/589925222.db2.gz RQHTUORDCVBMIQ-UHFFFAOYSA-N 1 0 202.257 2.102 20 30 BEEDRO C[C@@H]1C(N=Nc2cccc(Cl)n2)CC[N@@H+]1C ZINC000872376093 589925387 /nfs/dbraw/zinc/92/53/87/589925387.db2.gz BCJIZIQXUPUWAX-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000873198166 589991824 /nfs/dbraw/zinc/99/18/24/589991824.db2.gz VKHVKUFSFVMQPL-JOCQHMNTSA-N 1 0 231.343 2.010 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)o2)CC1 ZINC000873198695 589993106 /nfs/dbraw/zinc/99/31/06/589993106.db2.gz WHEOVQGZKPJIGK-HAQNSBGRSA-N 1 0 233.311 2.054 20 30 BEEDRO COc1ccc(C[NH2+]C2CC=CC2)cc1C#N ZINC000125258521 590159651 /nfs/dbraw/zinc/15/96/51/590159651.db2.gz RGIFTGMDIWOOSO-UHFFFAOYSA-N 1 0 228.295 2.375 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cc(C)ccc1O ZINC000125802588 590191044 /nfs/dbraw/zinc/19/10/44/590191044.db2.gz JIQOIMBRHANXHP-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@H](CO)C1 ZINC000876510338 590205286 /nfs/dbraw/zinc/20/52/86/590205286.db2.gz SXVCTCDCOOELLM-AWEZNQCLSA-N 1 0 223.360 2.274 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000876545823 590213629 /nfs/dbraw/zinc/21/36/29/590213629.db2.gz VJAKQVYBCQSEKT-NSHDSACASA-N 1 0 238.718 2.119 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccccc1C ZINC000876545474 590213644 /nfs/dbraw/zinc/21/36/44/590213644.db2.gz ODLRYIIFCYCTKK-SNVBAGLBSA-N 1 0 238.718 2.403 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)c1ccccc1 ZINC000876545822 590213827 /nfs/dbraw/zinc/21/38/27/590213827.db2.gz VJAKQVYBCQSEKT-LLVKDONJSA-N 1 0 238.718 2.119 20 30 BEEDRO C#CCCCCCCN(C)CC(=O)OCC ZINC000876566113 590217084 /nfs/dbraw/zinc/21/70/84/590217084.db2.gz YUEKOGBRPOTFJZ-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1C(C)C ZINC000876590726 590219360 /nfs/dbraw/zinc/21/93/60/590219360.db2.gz AKOZMCYBOZFJFW-QWRGUYRKSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC1CC1)C(C)C ZINC000876603119 590220876 /nfs/dbraw/zinc/22/08/76/590220876.db2.gz JRUQHIYZZNNQSC-LLVKDONJSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC000876605229 590221516 /nfs/dbraw/zinc/22/15/16/590221516.db2.gz SMXFIBBJAKZXPJ-JTQLQIEISA-N 1 0 244.766 2.105 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[N@H+](C)CC1CC1 ZINC000876623136 590223098 /nfs/dbraw/zinc/22/30/98/590223098.db2.gz VXEDPNTXCHPLKW-UHFFFAOYSA-N 1 0 243.354 2.466 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC)CCC ZINC000876628122 590223439 /nfs/dbraw/zinc/22/34/39/590223439.db2.gz GEADRIAHFJVXFY-NXEZZACHSA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC1CCCC1 ZINC000876629230 590223702 /nfs/dbraw/zinc/22/37/02/590223702.db2.gz FDKGXTJETAMGQQ-LLVKDONJSA-N 1 0 244.766 2.105 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH+]1CCC(C#N)CC1)OC ZINC000876652705 590226292 /nfs/dbraw/zinc/22/62/92/590226292.db2.gz HTLQBXFHUPCWRC-WCQYABFASA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@@H]1CC ZINC000876670152 590228560 /nfs/dbraw/zinc/22/85/60/590228560.db2.gz HLYLEILIUMHGSO-LSJOCFKGSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000876676883 590229741 /nfs/dbraw/zinc/22/97/41/590229741.db2.gz ZVIPJACCYKNTKI-JTQLQIEISA-N 1 0 246.782 2.399 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H]1CC ZINC000876695828 590230003 /nfs/dbraw/zinc/23/00/03/590230003.db2.gz ISXXBUQUSCFAQX-OUAUKWLOSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C1(C)CC1 ZINC000876701403 590231884 /nfs/dbraw/zinc/23/18/84/590231884.db2.gz AZOHWRATCJTXSH-NXEZZACHSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)Cn1cccn1 ZINC000876927119 590257930 /nfs/dbraw/zinc/25/79/30/590257930.db2.gz RKCYJOZPJJNSKL-AWEZNQCLSA-N 1 0 233.359 2.445 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CCOC1 ZINC000876930246 590258193 /nfs/dbraw/zinc/25/81/93/590258193.db2.gz UMUUJJDQWZHQLS-ZDUSSCGKSA-N 1 0 209.333 2.196 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)[C@@H](C)CC ZINC000876955834 590261125 /nfs/dbraw/zinc/26/11/25/590261125.db2.gz CKICSYZSWCAOIG-VHSXEESVSA-N 1 0 232.755 2.103 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876988659 590265603 /nfs/dbraw/zinc/26/56/03/590265603.db2.gz IPPRXBMSSWNBDA-NEPJUHHUSA-N 1 0 244.354 2.021 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876991579 590266386 /nfs/dbraw/zinc/26/63/86/590266386.db2.gz ZZCADGVVGWWJMZ-WDEREUQCSA-N 1 0 238.375 2.078 20 30 BEEDRO CC1(C[NH2+]C2CCN(CC#N)CC2)CCCC1 ZINC000877013423 590268658 /nfs/dbraw/zinc/26/86/58/590268658.db2.gz QSCHKUKTEYHTLN-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO COc1c(C)cnc(C[NH2+]CCCCC#N)c1C ZINC000877019209 590269308 /nfs/dbraw/zinc/26/93/08/590269308.db2.gz WHUJUPQKZWKFNO-UHFFFAOYSA-N 1 0 247.342 2.491 20 30 BEEDRO N#CC1CCC([NH2+]CCOc2cccnc2)CC1 ZINC000877038229 590272714 /nfs/dbraw/zinc/27/27/14/590272714.db2.gz KHDQUZVKYAUFAB-UHFFFAOYSA-N 1 0 245.326 2.132 20 30 BEEDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC000877036852 590272761 /nfs/dbraw/zinc/27/27/61/590272761.db2.gz SUZPMJSJVPRYTH-NSHDSACASA-N 1 0 248.326 2.430 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+]C2CCC(C#N)CC2)o1 ZINC000877058593 590276374 /nfs/dbraw/zinc/27/63/74/590276374.db2.gz CSNNMLRHGUZIDP-BPCQOVAHSA-N 1 0 248.326 2.293 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C2CC2)no1 ZINC000877070038 590277151 /nfs/dbraw/zinc/27/71/51/590277151.db2.gz JXQAWQYBRLLQAX-UHFFFAOYSA-N 1 0 204.273 2.055 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000877069078 590277207 /nfs/dbraw/zinc/27/72/07/590277207.db2.gz WWPAZLVOCOVGFF-ZDUSSCGKSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1CCC(C)(O)CC1 ZINC000877075156 590278394 /nfs/dbraw/zinc/27/83/94/590278394.db2.gz JDUUUHHWHGZQNT-HIFPTAJRSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000877083904 590280155 /nfs/dbraw/zinc/28/01/55/590280155.db2.gz HHYIQOLGHCEYPG-CQSZACIVSA-N 1 0 245.370 2.440 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000877087962 590280316 /nfs/dbraw/zinc/28/03/16/590280316.db2.gz XYKVODJMJQRQSW-CYBMUJFWSA-N 1 0 246.354 2.414 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C)cc1O ZINC000877089443 590280730 /nfs/dbraw/zinc/28/07/30/590280730.db2.gz PVGORZVBIUNRJJ-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877088289 590281083 /nfs/dbraw/zinc/28/10/83/590281083.db2.gz BFOQAANYWSWFDI-VIFPVBQESA-N 1 0 238.158 2.363 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877088288 590281138 /nfs/dbraw/zinc/28/11/38/590281138.db2.gz BFOQAANYWSWFDI-SECBINFHSA-N 1 0 238.158 2.363 20 30 BEEDRO C=CCCOCC[NH2+]Cc1c(C)cccc1O ZINC000877124128 590289667 /nfs/dbraw/zinc/28/96/67/590289667.db2.gz IQMXFORJWFHJKL-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1nc(Cl)cs1 ZINC000877131082 590290517 /nfs/dbraw/zinc/29/05/17/590290517.db2.gz UFYCUDQXPIRDOQ-QMMMGPOBSA-N 1 0 246.763 2.071 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000877150182 590292619 /nfs/dbraw/zinc/29/26/19/590292619.db2.gz ZHNAHSZDDXHYGB-SNVBAGLBSA-N 1 0 240.734 2.363 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000877149687 590292640 /nfs/dbraw/zinc/29/26/40/590292640.db2.gz QCYXRMMCJVVBJK-LLVKDONJSA-N 1 0 242.750 2.427 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000877158963 590294125 /nfs/dbraw/zinc/29/41/25/590294125.db2.gz PGPOLMQKGPTHIX-UONOGXRCSA-N 1 0 221.344 2.097 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877279360 590306433 /nfs/dbraw/zinc/30/64/33/590306433.db2.gz QTIKWTGLEULUGV-ZIAGYGMSSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000877303774 590310426 /nfs/dbraw/zinc/31/04/26/590310426.db2.gz LWBQRVWOCLRWDM-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[NH2+]CC1CC1 ZINC000877303811 590310964 /nfs/dbraw/zinc/31/09/64/590310964.db2.gz NEBLZJVSCKWZPS-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CCC1C[NH2+]C1 ZINC000877303852 590311100 /nfs/dbraw/zinc/31/11/00/590311100.db2.gz OZMFMKDDBRYODE-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO COC(=O)CCC(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000877355288 590318895 /nfs/dbraw/zinc/31/88/95/590318895.db2.gz HWQNXCQCAOMIQM-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1ccc(C)cc1O ZINC000877365369 590319533 /nfs/dbraw/zinc/31/95/33/590319533.db2.gz PVPKPISCDVNLHX-LBPRGKRZSA-N 1 0 218.300 2.483 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000877430434 590325907 /nfs/dbraw/zinc/32/59/07/590325907.db2.gz IRKIGSKUVOTONK-OLZOCXBDSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000877432362 590326347 /nfs/dbraw/zinc/32/63/47/590326347.db2.gz CCEYPLRFNDBKOR-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@](O)(CC)C1 ZINC000877440526 590327841 /nfs/dbraw/zinc/32/78/41/590327841.db2.gz BBZSGDUWTDLYGP-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000877469249 590333547 /nfs/dbraw/zinc/33/35/47/590333547.db2.gz SSDYGMYNQVMYQD-KBPBESRZSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)CC(F)F ZINC000877477964 590335884 /nfs/dbraw/zinc/33/58/84/590335884.db2.gz JUUNRSNXPVWUQL-LLVKDONJSA-N 1 0 233.302 2.176 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)CC(F)F ZINC000877477965 590336287 /nfs/dbraw/zinc/33/62/87/590336287.db2.gz JUUNRSNXPVWUQL-NSHDSACASA-N 1 0 233.302 2.176 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1c(C)cccc1O ZINC000877479383 590336720 /nfs/dbraw/zinc/33/67/20/590336720.db2.gz CASHMZSAVGQWKB-NSHDSACASA-N 1 0 203.285 2.154 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877479566 590337623 /nfs/dbraw/zinc/33/76/23/590337623.db2.gz DYRBPXKAYBXMMZ-LBPRGKRZSA-N 1 0 241.338 2.078 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccnc1F ZINC000877491083 590339846 /nfs/dbraw/zinc/33/98/46/590339846.db2.gz NQWIKRQYLHCYBO-SNVBAGLBSA-N 1 0 221.279 2.250 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc2nccnc2c1 ZINC000877512766 590342386 /nfs/dbraw/zinc/34/23/86/590342386.db2.gz ASVAHNNIYHSAIJ-GFCCVEGCSA-N 1 0 225.295 2.131 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](Cc1ccccc1)OC)C(C)C ZINC000877512918 590343638 /nfs/dbraw/zinc/34/36/38/590343638.db2.gz GBIGVYCQXUFURF-HOTGVXAUSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000877513081 590343820 /nfs/dbraw/zinc/34/38/20/590343820.db2.gz KQDJULJTKIIZTC-VIFPVBQESA-N 1 0 226.682 2.376 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000877513228 590343958 /nfs/dbraw/zinc/34/39/58/590343958.db2.gz OOKSNKZAAPVEMX-GXTWGEPZSA-N 1 0 246.354 2.269 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000877513411 590344072 /nfs/dbraw/zinc/34/40/72/590344072.db2.gz VHMVUFZSXBQUEH-ZDUSSCGKSA-N 1 0 230.311 2.146 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000877512773 590344026 /nfs/dbraw/zinc/34/40/26/590344026.db2.gz AVURPKCSRKXAFT-ZYHUDNBSSA-N 1 0 217.316 2.156 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(OC)cccc1OC)C(C)C ZINC000877513380 590344269 /nfs/dbraw/zinc/34/42/69/590344269.db2.gz TYIPHNLBZCHNKZ-ZDUSSCGKSA-N 1 0 247.338 2.451 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(Cl)c1N ZINC000877514040 590344359 /nfs/dbraw/zinc/34/43/59/590344359.db2.gz HIEDCDPSBXCAFE-QMMMGPOBSA-N 1 0 208.692 2.034 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(F)ccc1N(C)C ZINC000877514098 590344605 /nfs/dbraw/zinc/34/46/05/590344605.db2.gz JQMXJWUBLBEPDC-JTQLQIEISA-N 1 0 220.291 2.003 20 30 BEEDRO COc1cccc(C[NH2+]C[C@H](C)CCC#N)c1O ZINC000877525884 590348335 /nfs/dbraw/zinc/34/83/35/590348335.db2.gz MIYRPLTVXPUFNZ-LLVKDONJSA-N 1 0 248.326 2.430 20 30 BEEDRO CC1(C)C([NH2+]Cc2cccc(C#N)n2)C1(C)C ZINC000877528711 590349450 /nfs/dbraw/zinc/34/94/50/590349450.db2.gz IPMAVDRWFABFNL-UHFFFAOYSA-N 1 0 229.327 2.477 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000877545395 590353543 /nfs/dbraw/zinc/35/35/43/590353543.db2.gz ALJYGDDYBWZPBQ-HUUCEWRRSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877574952 590362770 /nfs/dbraw/zinc/36/27/70/590362770.db2.gz AEYNOFYUXGAOED-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO C#CCCCCCC[NH2+]CCc1cn(C)cn1 ZINC000877582174 590365442 /nfs/dbraw/zinc/36/54/42/590365442.db2.gz LMQVDKFGNIAUBT-UHFFFAOYSA-N 1 0 233.359 2.136 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(Cl)nn1 ZINC000877583171 590366560 /nfs/dbraw/zinc/36/65/60/590366560.db2.gz FLFJFYFNUMSULY-UHFFFAOYSA-N 1 0 238.722 2.159 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000877616764 590374273 /nfs/dbraw/zinc/37/42/73/590374273.db2.gz HHCJEYKJVROQOI-CHWSQXEVSA-N 1 0 204.317 2.271 20 30 BEEDRO C#CCCCCCC[N@@H+](C[C@H](C)O)C1CC1 ZINC000877621602 590376410 /nfs/dbraw/zinc/37/64/10/590376410.db2.gz SYNRHWNAPCFXIJ-ZDUSSCGKSA-N 1 0 223.360 2.415 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C=CCC1 ZINC000877624830 590377065 /nfs/dbraw/zinc/37/70/65/590377065.db2.gz SYPZOWHOAVOQKS-CHWSQXEVSA-N 1 0 234.343 2.394 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877629961 590377769 /nfs/dbraw/zinc/37/77/69/590377769.db2.gz CKTUNNRURPESNL-SECBINFHSA-N 1 0 238.158 2.363 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000877631405 590378403 /nfs/dbraw/zinc/37/84/03/590378403.db2.gz IMHNZIWMLWVDAL-UONOGXRCSA-N 1 0 235.371 2.463 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CSC2)cc1 ZINC000877635216 590380403 /nfs/dbraw/zinc/38/04/03/590380403.db2.gz JIUZPXKOUZGIRX-JTQLQIEISA-N 1 0 248.351 2.182 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(C(C)C)CC1)C1CCOCC1 ZINC000877636774 590380922 /nfs/dbraw/zinc/38/09/22/590380922.db2.gz BPWXTFPZPQZRGK-CQSZACIVSA-N 1 0 235.371 2.441 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCC2(COC2)C1 ZINC000877639233 590381281 /nfs/dbraw/zinc/38/12/81/590381281.db2.gz ZCYUEKGDJPNEBW-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCOCC1 ZINC000877637852 590381818 /nfs/dbraw/zinc/38/18/18/590381818.db2.gz NIGWROREQAEWSS-OJLVUWQFSA-N 1 0 247.382 2.441 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H]1CCC12CCC2 ZINC000877660797 590386495 /nfs/dbraw/zinc/38/64/95/590386495.db2.gz QUWDCUXQHBQUFT-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000877660836 590386869 /nfs/dbraw/zinc/38/68/69/590386869.db2.gz RSUOXSKXBHIUDK-MGPQQGTHSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000877659961 590387131 /nfs/dbraw/zinc/38/71/31/590387131.db2.gz BQIVYCSIOOJVRS-XJFOESAGSA-N 1 0 221.344 2.051 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CC#C)COC ZINC000877661386 590388051 /nfs/dbraw/zinc/38/80/51/590388051.db2.gz AZBZSMLMPRNYER-AWEZNQCLSA-N 1 0 221.344 2.198 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@@H]1O ZINC000877666733 590389104 /nfs/dbraw/zinc/38/91/04/590389104.db2.gz ARCKMGIXVRHHON-UPJWGTAASA-N 1 0 229.364 2.085 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000877681601 590390314 /nfs/dbraw/zinc/39/03/14/590390314.db2.gz INYPVXMITXXXGU-RLUHZPIJSA-N 1 0 246.354 2.082 20 30 BEEDRO C#CCCCCCC[NH2+]C1CC(C(=O)OC)C1 ZINC000877722196 590401670 /nfs/dbraw/zinc/40/16/70/590401670.db2.gz LXKTZCGXEMOSRD-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C1CC(C(=O)OC)C1 ZINC000877722152 590401676 /nfs/dbraw/zinc/40/16/76/590401676.db2.gz KLTJPYSPVXJTNL-CXQJBGSLSA-N 1 0 225.332 2.272 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1ccnn1C ZINC000877762171 590419400 /nfs/dbraw/zinc/41/94/00/590419400.db2.gz ARFOPPQIUHAGNT-QWRGUYRKSA-N 1 0 220.320 2.011 20 30 BEEDRO CCSCC[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000877766730 590420404 /nfs/dbraw/zinc/42/04/04/590420404.db2.gz JWCMEOCCONQDLR-CQSZACIVSA-N 1 0 246.379 2.368 20 30 BEEDRO CCSCC[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000877766729 590420476 /nfs/dbraw/zinc/42/04/76/590420476.db2.gz JWCMEOCCONQDLR-AWEZNQCLSA-N 1 0 246.379 2.368 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000877805418 590426018 /nfs/dbraw/zinc/42/60/18/590426018.db2.gz NIQLGCNGFUYYQU-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CCCc2cnn(C)c2)CC1 ZINC000877833075 590430035 /nfs/dbraw/zinc/43/00/35/590430035.db2.gz CRWSRJACJXBUTE-CTYIDZIISA-N 1 0 245.370 2.134 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CCC[C@H]2CCO2)CC1 ZINC000877833258 590430187 /nfs/dbraw/zinc/43/01/87/590430187.db2.gz DRDXUBFPHLOBJY-IHRRRGAJSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)CC1 ZINC000877833260 590430271 /nfs/dbraw/zinc/43/02/71/590430271.db2.gz DRDXUBFPHLOBJY-MGPQQGTHSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(Cc2cc(C)on2)CC1 ZINC000877904805 590444666 /nfs/dbraw/zinc/44/46/66/590444666.db2.gz PEWROQMXLJZFEU-LBPRGKRZSA-N 1 0 249.358 2.065 20 30 BEEDRO CC(C)[C@H](O)CC[N@H+](C)Cc1cccc(C#N)c1 ZINC000877917328 590446681 /nfs/dbraw/zinc/44/66/81/590446681.db2.gz SWBBPQNRZVFBFC-OAHLLOKOSA-N 1 0 246.354 2.397 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000877946183 590454542 /nfs/dbraw/zinc/45/45/42/590454542.db2.gz TZOPXOBGOMKCPJ-ZDUSSCGKSA-N 1 0 246.354 2.479 20 30 BEEDRO Cc1noc(C)c1CN(C)CC1(CC#N)CC1 ZINC000877955610 590456581 /nfs/dbraw/zinc/45/65/81/590456581.db2.gz MQYCLBHHKSDIIF-UHFFFAOYSA-N 1 0 233.315 2.417 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(OCCOC)CC1 ZINC000878111527 590497444 /nfs/dbraw/zinc/49/74/44/590497444.db2.gz HCYJPBIVHRPFPX-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125992 590500844 /nfs/dbraw/zinc/50/08/44/590500844.db2.gz SOKPEHBVQHTWAX-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(OCCCOC)CC1 ZINC000878131525 590502707 /nfs/dbraw/zinc/50/27/07/590502707.db2.gz RZVDAMBYVPFYDJ-ZDUSSCGKSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](N(CC)CC)C1 ZINC000878148984 590505698 /nfs/dbraw/zinc/50/56/98/590505698.db2.gz LMYLEQRKXALWQA-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000878157962 590509514 /nfs/dbraw/zinc/50/95/14/590509514.db2.gz PZAXNHCAZCXSJJ-STQMWFEESA-N 1 0 233.359 2.249 20 30 BEEDRO C=CC[C@H](C)N(C)Cc1nc([C@@H](C)OC)no1 ZINC000878162254 590511385 /nfs/dbraw/zinc/51/13/85/590511385.db2.gz LSNOVJUXBVANMA-VHSXEESVSA-N 1 0 239.319 2.173 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000878164712 590511825 /nfs/dbraw/zinc/51/18/25/590511825.db2.gz MZONJPZVUTUBHC-OCCSQVGLSA-N 1 0 239.359 2.221 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCCC(C)(C)O1 ZINC000878167470 590514370 /nfs/dbraw/zinc/51/43/70/590514370.db2.gz UIGYXSRUUHBXSM-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000878172733 590515191 /nfs/dbraw/zinc/51/51/91/590515191.db2.gz LOSGIJWHUIGNLW-LBPRGKRZSA-N 1 0 219.332 2.485 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCO[C@@H]1C)C1CCCC1 ZINC000878184989 590518640 /nfs/dbraw/zinc/51/86/40/590518640.db2.gz DJPXIWCKABCWDY-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000878192569 590521285 /nfs/dbraw/zinc/52/12/85/590521285.db2.gz FYGJGOZTTAZLJM-JQWIXIFHSA-N 1 0 234.347 2.257 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000878243402 590528373 /nfs/dbraw/zinc/52/83/73/590528373.db2.gz CKMVBNHGRRXYFU-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCCCCC[NH2+]C(C)(C)CC(=O)OC ZINC000878271466 590532524 /nfs/dbraw/zinc/53/25/24/590532524.db2.gz OVPWCNQQYRKTCH-UHFFFAOYSA-N 1 0 225.332 2.111 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000878287768 590534267 /nfs/dbraw/zinc/53/42/67/590534267.db2.gz XGDJEJRRHTWEQG-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(OC)nc1 ZINC000878290502 590535736 /nfs/dbraw/zinc/53/57/36/590535736.db2.gz NOJUIUQLXQELLW-LLVKDONJSA-N 1 0 220.316 2.487 20 30 BEEDRO CO[C@H]1C[C@@H](C[N@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000878299543 590537859 /nfs/dbraw/zinc/53/78/59/590537859.db2.gz UVPUNUSARHBIDG-WZRBSPASSA-N 1 0 222.332 2.035 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000878302569 590538190 /nfs/dbraw/zinc/53/81/90/590538190.db2.gz QVEJNZCGIWLALY-NWDGAFQWSA-N 1 0 219.332 2.174 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](OCCOC)C1 ZINC000878313152 590540877 /nfs/dbraw/zinc/54/08/77/590540877.db2.gz UUCJMPZPICEUJI-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=C(C)C[N@H+](C)CCCOC(F)(F)F ZINC000878383781 590558201 /nfs/dbraw/zinc/55/82/01/590558201.db2.gz VTFMLHIQFBAIIJ-UHFFFAOYSA-N 1 0 211.227 2.421 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000878420365 590563959 /nfs/dbraw/zinc/56/39/59/590563959.db2.gz OXQHXHNNJZHWSC-GARJFASQSA-N 1 0 213.321 2.128 20 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/nfs/dbraw/zinc/92/88/77/590928877.db2.gz BMKJVXUGCWKXAF-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO N#CCSCCC[N@H+]1CCC[C@H](CF)C1 ZINC000880234188 590964752 /nfs/dbraw/zinc/96/47/52/590964752.db2.gz RDBSQTZVABLTDW-LLVKDONJSA-N 1 0 230.352 2.315 20 30 BEEDRO COCC1([N@H+](C)CCC(C)(C)C#N)CCC1 ZINC000880185497 590953971 /nfs/dbraw/zinc/95/39/71/590953971.db2.gz QHONFCLHODCBPA-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO FC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000880299354 590994453 /nfs/dbraw/zinc/99/44/53/590994453.db2.gz RTPWKRXVDNGNGP-CQSZACIVSA-N 1 0 217.287 2.330 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880319967 591003401 /nfs/dbraw/zinc/00/34/01/591003401.db2.gz BRAUTDBJTKWJEQ-NSHDSACASA-N 1 0 238.356 2.135 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880320761 591003734 /nfs/dbraw/zinc/00/37/34/591003734.db2.gz YABFWAIGXRLIOE-LLVKDONJSA-N 1 0 220.341 2.346 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000880329544 591006723 /nfs/dbraw/zinc/00/67/23/591006723.db2.gz XXCLXKLKDRXYFD-DYEKYZERSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000880329490 591006871 /nfs/dbraw/zinc/00/68/71/591006871.db2.gz VYOQQDKUHLHIRH-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1ccc(C[N@@H+]2[C@H](C)CC[C@@H]2CO)cc1C#N ZINC000880435659 591036741 /nfs/dbraw/zinc/03/67/41/591036741.db2.gz RVCUVRYYNCATDG-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CCC1(O)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000880482879 591055308 /nfs/dbraw/zinc/05/53/08/591055308.db2.gz UIBMKPABUIXNBA-QLFBSQMISA-N 1 0 247.382 2.273 20 30 BEEDRO C#CC[N@H+]1Cc2ccccc2N2CCC[C@@H]2C1 ZINC000880550371 591088222 /nfs/dbraw/zinc/08/82/22/591088222.db2.gz REXLJYJSSGVSEX-CQSZACIVSA-N 1 0 226.323 2.104 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cccc(F)c1F ZINC000128500572 591097957 /nfs/dbraw/zinc/09/79/57/591097957.db2.gz ZUOXEHFYDZNXPZ-UHFFFAOYSA-N 1 0 228.242 2.410 20 30 BEEDRO CC#CC[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880572188 591099155 /nfs/dbraw/zinc/09/91/55/591099155.db2.gz YDDZNAZVOORPCQ-HNNXBMFYSA-N 1 0 239.322 2.237 20 30 BEEDRO N#CCC[N@@H+]1CCCC[C@@H](C2CCOCC2)C1 ZINC000880573968 591099178 /nfs/dbraw/zinc/09/91/78/591099178.db2.gz FQFOYALMSWOPHL-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)C(N)=[NH+]OCCc1ccc(F)c(F)c1 ZINC000128568278 591125852 /nfs/dbraw/zinc/12/58/52/591125852.db2.gz SAPAAHFOYLHVGQ-UHFFFAOYSA-N 1 0 242.269 2.452 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C)nc1C#N ZINC000881746995 591268554 /nfs/dbraw/zinc/26/85/54/591268554.db2.gz OBWSXSIAQMRCJQ-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO Cc1ccc(N[C@@H](C)CC[NH+](C)C)c(C#N)n1 ZINC000881859230 591275153 /nfs/dbraw/zinc/27/51/53/591275153.db2.gz YPGZDFUIYNFYKV-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO C=C(Br)C[NH2+]Cc1cc[nH]c1 ZINC000129981269 591426307 /nfs/dbraw/zinc/42/63/07/591426307.db2.gz GGADQMYOFOMBPZ-UHFFFAOYSA-N 1 0 215.094 2.013 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000129990489 591428046 /nfs/dbraw/zinc/42/80/46/591428046.db2.gz JGTDHKYTXXMDHE-NSHDSACASA-N 1 0 241.400 2.289 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000130430063 591468123 /nfs/dbraw/zinc/46/81/23/591468123.db2.gz ZOEVPMCRSNIKQV-NSHDSACASA-N 1 0 204.317 2.417 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000130463506 591473343 /nfs/dbraw/zinc/47/33/43/591473343.db2.gz TWWGDOQBOLCCGR-SECBINFHSA-N 1 0 207.273 2.065 20 30 BEEDRO CNC(=[NH2+])NCC1CCC(C(C)(C)C)CC1 ZINC000130664141 591495830 /nfs/dbraw/zinc/49/58/30/591495830.db2.gz RWGYGEQMTPKYAY-UHFFFAOYSA-N 1 0 225.380 2.373 20 30 BEEDRO C=CCCOCC[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883076788 591536024 /nfs/dbraw/zinc/53/60/24/591536024.db2.gz NJSNKPIMQATRFU-UHFFFAOYSA-N 1 0 237.347 2.215 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cc2ccccc2s1 ZINC000883123547 591543806 /nfs/dbraw/zinc/54/38/06/591543806.db2.gz BIDAQWBPZHKGFF-GFCCVEGCSA-N 1 0 245.347 2.375 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(CCC)s1 ZINC000883125170 591544146 /nfs/dbraw/zinc/54/41/46/591544146.db2.gz AWVMZQYPJCHGKW-NSHDSACASA-N 1 0 237.368 2.174 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)nn1 ZINC000883149501 591553658 /nfs/dbraw/zinc/55/36/58/591553658.db2.gz CAKCMJKUOQKOFW-ITGUQSILSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@@H](COc1ccccc1)[NH2+]C[C@H](C)O ZINC000883163904 591556610 /nfs/dbraw/zinc/55/66/10/591556610.db2.gz PLWBYTHZCPCVNB-KBPBESRZSA-N 1 0 249.354 2.371 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCSC)[C@H]1CCCO1 ZINC000883165298 591558658 /nfs/dbraw/zinc/55/86/58/591558658.db2.gz BHEUPGQSJGSODI-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCO1 ZINC000883171834 591561116 /nfs/dbraw/zinc/56/11/16/591561116.db2.gz KEWKJDOFYSFSPU-KBPBESRZSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCO1 ZINC000883171836 591561483 /nfs/dbraw/zinc/56/14/83/591561483.db2.gz KEWKJDOFYSFSPU-UONOGXRCSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(O)CCC1)[C@H]1CCCO1 ZINC000883188568 591566298 /nfs/dbraw/zinc/56/62/98/591566298.db2.gz MJPGVQOLGWXADX-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)CCO)[C@@H]1CCCO1 ZINC000883194515 591568859 /nfs/dbraw/zinc/56/88/59/591568859.db2.gz XTWKKOARXJRZDN-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)C[C@H](C)O)[C@@H]1CCCO1 ZINC000883215813 591575069 /nfs/dbraw/zinc/57/50/69/591575069.db2.gz GMMNDVFJNMQBFK-RFGFWPKPSA-N 1 0 241.375 2.249 20 30 BEEDRO C=CCC[C@H]([NH2+]CCF)[C@@H]1CCCO1 ZINC000883221329 591576506 /nfs/dbraw/zinc/57/65/06/591576506.db2.gz YZQOEZAINMSBTI-QWRGUYRKSA-N 1 0 201.285 2.059 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000883227017 591579349 /nfs/dbraw/zinc/57/93/49/591579349.db2.gz JTFWUMHPQMBTEX-CHWSQXEVSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CCN(C(=O)CCCCCC[NH3+])C1CC1 ZINC000131266909 591580072 /nfs/dbraw/zinc/58/00/72/591580072.db2.gz NMRPJQMZYLLTPH-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCN1CC ZINC000883353704 591624399 /nfs/dbraw/zinc/62/43/99/591624399.db2.gz ATPWQGXSTXNLMC-XQQFMLRXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCN1CC ZINC000883353703 591624783 /nfs/dbraw/zinc/62/47/83/591624783.db2.gz ATPWQGXSTXNLMC-RWMBFGLXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN1CC)C1CC1 ZINC000883355387 591626517 /nfs/dbraw/zinc/62/65/17/591626517.db2.gz PRUWVEKQQGPWBW-KGLIPLIRSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN2CC)C1 ZINC000883356963 591627423 /nfs/dbraw/zinc/62/74/23/591627423.db2.gz ZMJAJPVIDKGGTJ-MGPQQGTHSA-N 1 0 222.376 2.415 20 30 BEEDRO C#CC1(NCc2cc(C)no2)CCCC1 ZINC000883361671 591631165 /nfs/dbraw/zinc/63/11/65/591631165.db2.gz IPQPMSSIZVUONH-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CC1([NH2+]Cc2cnc(C)s2)CCCC1 ZINC000883363069 591631658 /nfs/dbraw/zinc/63/16/58/591631658.db2.gz VEHQEBBOKRVJEZ-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000883363044 591632318 /nfs/dbraw/zinc/63/23/18/591632318.db2.gz UOKHJTOTPIVCKY-UHFFFAOYSA-N 1 0 214.268 2.187 20 30 BEEDRO C#CC1([NH2+]Cc2cnc3ccccn23)CCCC1 ZINC000883363103 591632348 /nfs/dbraw/zinc/63/23/48/591632348.db2.gz VXFUGXDMEFUMLA-UHFFFAOYSA-N 1 0 239.322 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000883389751 591641092 /nfs/dbraw/zinc/64/10/92/591641092.db2.gz XHPLXRRHVICWOG-CVEARBPZSA-N 1 0 245.366 2.461 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccncc1 ZINC000883390986 591642331 /nfs/dbraw/zinc/64/23/31/591642331.db2.gz YZEWHGGQXVILER-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccncc1 ZINC000883390984 591642389 /nfs/dbraw/zinc/64/23/89/591642389.db2.gz YZEWHGGQXVILER-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1csc(C)n1 ZINC000883390785 591642440 /nfs/dbraw/zinc/64/24/40/591642440.db2.gz UJDHNAKYQHBKQK-KOLCDFICSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccc(O)c1 ZINC000883390775 591642454 /nfs/dbraw/zinc/64/24/54/591642454.db2.gz TYESIGLRMJAFTA-DGCLKSJQSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cscn1 ZINC000883390471 591642562 /nfs/dbraw/zinc/64/25/62/591642562.db2.gz MOMKWMCVCIVTOS-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cccc(O)c1 ZINC000883390777 591642611 /nfs/dbraw/zinc/64/26/11/591642611.db2.gz TYESIGLRMJAFTA-YPMHNXCESA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccccn1 ZINC000883390480 591643089 /nfs/dbraw/zinc/64/30/89/591643089.db2.gz MWNYJWPQKBSSON-RYUDHWBXSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000883390992 591643152 /nfs/dbraw/zinc/64/31/52/591643152.db2.gz ZADDGYGLODDNLJ-MCIONIFRSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC(C)(C)C1 ZINC000883391470 591644134 /nfs/dbraw/zinc/64/41/34/591644134.db2.gz LHSXLUBHFSWKSM-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCCSCC1 ZINC000883392496 591645360 /nfs/dbraw/zinc/64/53/60/591645360.db2.gz JCFMEMVSUURUOL-NEPJUHHUSA-N 1 0 229.389 2.189 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cccc(F)c1F ZINC000883400101 591647380 /nfs/dbraw/zinc/64/73/80/591647380.db2.gz DNMHRODYYSKMRI-LLVKDONJSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(OC)c1 ZINC000883401182 591648535 /nfs/dbraw/zinc/64/85/35/591648535.db2.gz FHUNZODHDUUYCM-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1sccc1C ZINC000883401756 591648709 /nfs/dbraw/zinc/64/87/09/591648709.db2.gz XIJGQWFEGFULBB-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO CN(Cc1ccc(C#N)o1)C1(C[NH3+])CCCCC1 ZINC000883455162 591672284 /nfs/dbraw/zinc/67/22/84/591672284.db2.gz VMBBUMOHNXKTRB-UHFFFAOYSA-N 1 0 247.342 2.245 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000883451706 591672449 /nfs/dbraw/zinc/67/24/49/591672449.db2.gz VRWIHGVEZQIXQI-OAHLLOKOSA-N 1 0 246.354 2.218 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@H](C)COC)cc1 ZINC000131903129 591675649 /nfs/dbraw/zinc/67/56/49/591675649.db2.gz MSMNRKLDAYDQLD-OLZOCXBDSA-N 1 0 247.338 2.384 20 30 BEEDRO C#CCSCC[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000132877817 591744891 /nfs/dbraw/zinc/74/48/91/591744891.db2.gz UZYVTUDNLRBDMJ-RYUDHWBXSA-N 1 0 241.400 2.146 20 30 BEEDRO C=CC(C)(C)CC(=O)NC(CC)(CC)C[NH3+] ZINC000884031683 591815440 /nfs/dbraw/zinc/81/54/40/591815440.db2.gz XRLACYQREFFRSS-UHFFFAOYSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000884035006 591817796 /nfs/dbraw/zinc/81/77/96/591817796.db2.gz PYIITYDBIKUKDB-CQSZACIVSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000884338585 591905287 /nfs/dbraw/zinc/90/52/87/591905287.db2.gz MORUWOIXZSNFQB-SNVBAGLBSA-N 1 0 226.364 2.078 20 30 BEEDRO CON=C1CCC(C)([NH+]2CCCC2)CC1 ZINC000884414211 591928102 /nfs/dbraw/zinc/92/81/02/591928102.db2.gz MSXVWLMZOSVXED-UHFFFAOYSA-N 1 0 210.321 2.417 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(Cl)nc1 ZINC000134508603 591931829 /nfs/dbraw/zinc/93/18/29/591931829.db2.gz LSOJTHGDMYGYLB-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO C=CCC1(C=NNC2=[NH+][C@@H](C)CN2)CCCCC1 ZINC000884448374 591937614 /nfs/dbraw/zinc/93/76/14/591937614.db2.gz ZDKZNLWZHGOUDA-LBPRGKRZSA-N 1 0 248.374 2.436 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1c[nH]nc1C ZINC000134592200 591939751 /nfs/dbraw/zinc/93/97/51/591939751.db2.gz YBNASONAFOKFJG-JTQLQIEISA-N 1 0 205.305 2.172 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(C#N)o1 ZINC000135140419 591991724 /nfs/dbraw/zinc/99/17/24/591991724.db2.gz DOUVJUBQBDUTAZ-JTQLQIEISA-N 1 0 230.267 2.465 20 30 BEEDRO CCCCCCCC[NH2+][C@@H](C)CC(N)=O ZINC000135806625 592058778 /nfs/dbraw/zinc/05/87/78/592058778.db2.gz ZJOVVYRKEFQQDU-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO C=CC[NH+](CC=C)CC(OCC)OCC ZINC000135909475 592077858 /nfs/dbraw/zinc/07/78/58/592077858.db2.gz UAHIZPAPWOWFCO-UHFFFAOYSA-N 1 0 213.321 2.060 20 30 BEEDRO C[N@@H+](Cc1ccco1)C[C@H](O)CC1(C#N)CCC1 ZINC000885933409 592110743 /nfs/dbraw/zinc/11/07/43/592110743.db2.gz SRLYFKKMSBJZAK-GFCCVEGCSA-N 1 0 248.326 2.156 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H]1C[C@@]12CCOC2 ZINC000885944805 592113139 /nfs/dbraw/zinc/11/31/39/592113139.db2.gz VENUYNZRXWDLAI-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO CCC[N@H+](CC)C[C@H](O)CC1(C#N)CCC1 ZINC000885967469 592118438 /nfs/dbraw/zinc/11/84/38/592118438.db2.gz PSUDWFXWOLZEQA-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H]2C2CC2)CCC1 ZINC000885985961 592122013 /nfs/dbraw/zinc/12/20/13/592122013.db2.gz VOMNHMRLOQQNMC-UONOGXRCSA-N 1 0 248.370 2.306 20 30 BEEDRO CC[C@H](C)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886006298 592129371 /nfs/dbraw/zinc/12/93/71/592129371.db2.gz PWBOAIGKDLFNER-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886006295 592129453 /nfs/dbraw/zinc/12/94/53/592129453.db2.gz PWBOAIGKDLFNER-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CC1(C)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886025954 592136079 /nfs/dbraw/zinc/13/60/79/592136079.db2.gz MYGVJZAZQOEXLO-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCCF)cc1 ZINC000136511934 592140103 /nfs/dbraw/zinc/14/01/03/592140103.db2.gz QHRUTDZKXHSLBS-NSHDSACASA-N 1 0 236.290 2.427 20 30 BEEDRO CC1=CC[N@H+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886085799 592145119 /nfs/dbraw/zinc/14/51/19/592145119.db2.gz DBJCTHHMRHKIGQ-CYBMUJFWSA-N 1 0 234.343 2.083 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH+]2CCC3(CC3)CC2)CCC1 ZINC000886092130 592146647 /nfs/dbraw/zinc/14/66/47/592146647.db2.gz OOFZNNOCGWEGRA-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000217835931 592149068 /nfs/dbraw/zinc/14/90/68/592149068.db2.gz BMLVAZCVULLKCZ-TYNCELHUSA-N 1 0 244.338 2.322 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886118861 592158414 /nfs/dbraw/zinc/15/84/14/592158414.db2.gz RHHRFLSCHNZLAS-OCCSQVGLSA-N 1 0 234.343 2.039 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886153521 592164795 /nfs/dbraw/zinc/16/47/95/592164795.db2.gz JAPPDUKCKBPQQQ-ZKKXHLJNSA-N 1 0 247.313 2.203 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886168449 592167780 /nfs/dbraw/zinc/16/77/80/592167780.db2.gz QZXZXSMPVONKKI-ZIAGYGMSSA-N 1 0 239.359 2.078 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000886169684 592168707 /nfs/dbraw/zinc/16/87/07/592168707.db2.gz FRXVDTXDEGIVSB-JHJVBQTASA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886169683 592168800 /nfs/dbraw/zinc/16/88/00/592168800.db2.gz FRXVDTXDEGIVSB-FRRDWIJNSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCCC23CCC3)CCC1 ZINC000886173738 592169667 /nfs/dbraw/zinc/16/96/67/592169667.db2.gz XXXQFGSSBUODIG-ZDUSSCGKSA-N 1 0 248.370 2.450 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1C[C@@H]1C[C@]12CCOC2 ZINC000886177038 592170542 /nfs/dbraw/zinc/17/05/42/592170542.db2.gz 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592192003 /nfs/dbraw/zinc/19/20/03/592192003.db2.gz PCGKRHHGSGVKPD-NEPJUHHUSA-N 1 0 238.375 2.455 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886274165 592194857 /nfs/dbraw/zinc/19/48/57/592194857.db2.gz NTVPNOMYDCEBHR-BFHYXJOUSA-N 1 0 234.343 2.039 20 30 BEEDRO CSc1ccc(C[NH2+][C@@H]2CCOC2)cc1C#N ZINC000886277112 592196644 /nfs/dbraw/zinc/19/66/44/592196644.db2.gz HMLWOFZVFQMFBD-GFCCVEGCSA-N 1 0 248.351 2.159 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1n[nH]cc1C ZINC000886285820 592200539 /nfs/dbraw/zinc/20/05/39/592200539.db2.gz SVFDUQQDXIKPRB-TXEJJXNPSA-N 1 0 217.316 2.401 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC3(CCC3)CO2)o1 ZINC000886289251 592201894 /nfs/dbraw/zinc/20/18/94/592201894.db2.gz RACGKRLACKNTHB-CYBMUJFWSA-N 1 0 246.310 2.200 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000886355653 592215936 /nfs/dbraw/zinc/21/59/36/592215936.db2.gz LNTGQGSDTQVOKC-LLVKDONJSA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2noc3c2CCCC3)C1 ZINC000886358689 592217042 /nfs/dbraw/zinc/21/70/42/592217042.db2.gz ZXCMALIGQZTCKG-GFCCVEGCSA-N 1 0 244.338 2.399 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000886358247 592217401 /nfs/dbraw/zinc/21/74/01/592217401.db2.gz RRLSVTZHAUCSMQ-CHWSQXEVSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(C)n2)C1 ZINC000886358609 592217472 /nfs/dbraw/zinc/21/74/72/592217472.db2.gz YANMHWFOZLVLMN-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000886363924 592218511 /nfs/dbraw/zinc/21/85/11/592218511.db2.gz ISCYTVKIPKCRNF-CYBMUJFWSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCc2cccc(C)n2)C1 ZINC000886365433 592219267 /nfs/dbraw/zinc/21/92/67/592219267.db2.gz IECZXQYMTVHIEY-CQSZACIVSA-N 1 0 228.339 2.278 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC000886365301 592219387 /nfs/dbraw/zinc/21/93/87/592219387.db2.gz FPYFQBAHUHCQMY-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@H]1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000886365688 592219423 /nfs/dbraw/zinc/21/94/23/592219423.db2.gz NSJQZYKRBZEOOK-XHSDSOJGSA-N 1 0 248.414 2.310 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2cnc(C)cn2)C1 ZINC000886365256 592219475 /nfs/dbraw/zinc/21/94/75/592219475.db2.gz DQOLLRRKHPUZFF-STQMWFEESA-N 1 0 229.327 2.191 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1 ZINC000886365139 592219987 /nfs/dbraw/zinc/21/99/87/592219987.db2.gz AQECEGQEWILAMT-KBPBESRZSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CCC1([NH2+]Cc2ccncc2C)CCOCC1 ZINC000886379299 592221250 /nfs/dbraw/zinc/22/12/50/592221250.db2.gz VSWILNNAAGBPSW-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](CO)c1ccccc1C ZINC000886439066 592225737 /nfs/dbraw/zinc/22/57/37/592225737.db2.gz PBPJDEDECMFPAE-OAHLLOKOSA-N 1 0 231.339 2.374 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568908 592261764 /nfs/dbraw/zinc/26/17/64/592261764.db2.gz ZVTOLOZZVQHQNM-SDDRHHMPSA-N 1 0 209.358 2.083 20 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CHCCROVTCXAZDA-OLZOCXBDSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000886659146 592293302 /nfs/dbraw/zinc/29/33/02/592293302.db2.gz DMJCWVQKORGWRQ-OLZOCXBDSA-N 1 0 248.395 2.496 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000886659941 592293712 /nfs/dbraw/zinc/29/37/12/592293712.db2.gz YZDNSJHKAJJHJU-HOCLYGCPSA-N 1 0 242.366 2.435 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](CC)CCC)C1 ZINC000886660796 592293717 /nfs/dbraw/zinc/29/37/17/592293717.db2.gz GGGCWUOQXSOXDM-UONOGXRCSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](CC)C2CCC2)C1 ZINC000886663275 592294177 /nfs/dbraw/zinc/29/41/77/592294177.db2.gz XIKVLQMDXCOUAT-GJZGRUSLSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CCC=C)C1 ZINC000886662276 592295304 /nfs/dbraw/zinc/29/53/04/592295304.db2.gz ARNCTMRZKJECSR-UONOGXRCSA-N 1 0 220.360 2.028 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCCC3(CC3)C2)C1 ZINC000886664451 592296380 /nfs/dbraw/zinc/29/63/80/592296380.db2.gz NCKZYSDUHUXREC-GJZGRUSLSA-N 1 0 246.398 2.396 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Cc2nc(C)cs2)C1 ZINC000886698510 592305358 /nfs/dbraw/zinc/30/53/58/592305358.db2.gz HGSGOJOGGXZAFI-GFCCVEGCSA-N 1 0 234.368 2.339 20 30 BEEDRO C=CCC[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886723969 592311622 /nfs/dbraw/zinc/31/16/22/592311622.db2.gz RZJMPWDSFLCOJZ-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886809285 592335485 /nfs/dbraw/zinc/33/54/85/592335485.db2.gz YPMGSBXFAZUDNA-SNVBAGLBSA-N 1 0 237.265 2.199 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886815595 592337330 /nfs/dbraw/zinc/33/73/30/592337330.db2.gz GLFVDGBWOTVUKU-WDEREUQCSA-N 1 0 215.724 2.240 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821760 592344363 /nfs/dbraw/zinc/34/43/63/592344363.db2.gz HEOJHIOOFGINTB-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886833122 592356117 /nfs/dbraw/zinc/35/61/17/592356117.db2.gz SWVNCQJXNWWPBB-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000221084285 592395532 /nfs/dbraw/zinc/39/55/32/592395532.db2.gz SLFOGGPLTATCDD-SNVBAGLBSA-N 1 0 206.264 2.285 20 30 BEEDRO COCC#CC[NH2+][C@H]1CCc2c1cccc2F ZINC000886923280 592397004 /nfs/dbraw/zinc/39/70/04/592397004.db2.gz UMGAYDFIIJKHKR-AWEZNQCLSA-N 1 0 233.286 2.052 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCc2c1cccc2F ZINC000886922941 592397189 /nfs/dbraw/zinc/39/71/89/592397189.db2.gz GHJLEYJQMYXKBW-YGRLFVJLSA-N 1 0 248.301 2.331 20 30 BEEDRO CCC#C[C@@H](C)[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979348 592403145 /nfs/dbraw/zinc/40/31/45/592403145.db2.gz ITLHXUWOAGZWDR-CYBMUJFWSA-N 1 0 235.371 2.463 20 30 BEEDRO CCC#C[C@H](C)[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886979349 592403348 /nfs/dbraw/zinc/40/33/48/592403348.db2.gz ITLHXUWOAGZWDR-ZDUSSCGKSA-N 1 0 235.371 2.463 20 30 BEEDRO C=C(C)C[N@H+](C)CCc1ccc2c(c1)OCO2 ZINC000887095675 592440238 /nfs/dbraw/zinc/44/02/38/592440238.db2.gz UTTPAKJYEUAYIC-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C#CCC1([NH2+]Cc2cncc(C)c2)CCOCC1 ZINC000887121959 592446634 /nfs/dbraw/zinc/44/66/34/592446634.db2.gz DXBRNMBPLPCGIJ-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(C)n2)CCOCC1 ZINC000887122296 592446703 /nfs/dbraw/zinc/44/67/03/592446703.db2.gz RINUQFOQEKRIOB-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO C[N@H+](CCCF)Cc1ccc(C#N)s1 ZINC000887142262 592457182 /nfs/dbraw/zinc/45/71/82/592457182.db2.gz CNCBHZOTEMQGBS-UHFFFAOYSA-N 1 0 212.293 2.411 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCO[C@@H](CC)C1)C(C)C ZINC000301009549 592527049 /nfs/dbraw/zinc/52/70/49/592527049.db2.gz YMVSQOGEKAFROM-AVGNSLFASA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(OC)c1O)C(C)C ZINC000302321239 592546490 /nfs/dbraw/zinc/54/64/90/592546490.db2.gz JRGWMCRUOCUSGF-LBPRGKRZSA-N 1 0 233.311 2.148 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1nn(C)c2ccccc12)C(C)C ZINC000302377285 592547678 /nfs/dbraw/zinc/54/76/78/592547678.db2.gz PFPYLWFNBDTILC-CYBMUJFWSA-N 1 0 241.338 2.321 20 30 BEEDRO C[NH+]=C(NCCc1ccc(C)cc1C)NC1CC1 ZINC000103338347 592578625 /nfs/dbraw/zinc/57/86/25/592578625.db2.gz RPHYMPRRTSVONL-UHFFFAOYSA-N 1 0 245.370 2.173 20 30 BEEDRO [NH2+]=C(NCCc1cccs1)N1CCCCC1 ZINC000104155969 592601851 /nfs/dbraw/zinc/60/18/51/592601851.db2.gz QAYLIDCZYRAJOF-UHFFFAOYSA-N 1 0 237.372 2.091 20 30 BEEDRO CCCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000104152525 592601861 /nfs/dbraw/zinc/60/18/61/592601861.db2.gz IZVKYEWVBCOPHC-UHFFFAOYSA-N 1 0 233.359 2.494 20 30 BEEDRO [NH2+]=C(NCCc1cccc(F)c1)NCC1CCC1 ZINC000104157570 592602855 /nfs/dbraw/zinc/60/28/55/592602855.db2.gz DRCODMWKNGBHJD-UHFFFAOYSA-N 1 0 249.333 2.073 20 30 BEEDRO CCCCNC(=[NH2+])NCCCOC1CCCC1 ZINC000104182558 592603964 /nfs/dbraw/zinc/60/39/64/592603964.db2.gz UCROETCVAYWTNY-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000829250468 592707667 /nfs/dbraw/zinc/70/76/67/592707667.db2.gz FZPUNDYMCDFVNP-KOLCDFICSA-N 1 0 217.740 2.222 20 30 BEEDRO CSC(C)(C)C[C@@H](C)[NH2+]CCS ZINC001258317263 991242409 /nfs/dbraw/zinc/24/24/09/991242409.db2.gz WJSGOTFVGQFORN-MRVPVSSYSA-N 1 0 207.408 2.426 20 30 BEEDRO C[NH2+]C[C@@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000063166816 634443151 /nfs/dbraw/zinc/44/31/51/634443151.db2.gz BQGWCTAFCDTTQQ-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001027357700 634494372 /nfs/dbraw/zinc/49/43/72/634494372.db2.gz BRDLVXJWWIYIFO-TZQNSNDFSA-N 1 0 236.359 2.061 20 30 BEEDRO CC(C)(C)c1n[nH]cc1C[NH2+]CCCCC#N ZINC000236760080 634582389 /nfs/dbraw/zinc/58/23/89/634582389.db2.gz ITQGODGRRBZJSY-UHFFFAOYSA-N 1 0 234.347 2.491 20 30 BEEDRO CC[C@H](CNC(=[NH2+])N(C)C)Oc1cccc(C)c1 ZINC000178561947 635457109 /nfs/dbraw/zinc/45/71/09/635457109.db2.gz GMPBFJRAKNJDHX-GFCCVEGCSA-N 1 0 249.358 2.029 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000230012915 635478293 /nfs/dbraw/zinc/47/82/93/635478293.db2.gz HOXDDIKCTRZEQF-CHWSQXEVSA-N 1 0 229.364 2.038 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1CNOC1 ZINC000925865569 635565718 /nfs/dbraw/zinc/56/57/18/635565718.db2.gz GITXMVXSFFWAAF-RYUDHWBXSA-N 1 0 212.337 2.004 20 30 BEEDRO C[C@@H]1CN(c2ccc(F)cc2C#N)C[C@@H](C)[NH+]1C ZINC000135265168 631290569 /nfs/dbraw/zinc/29/05/69/631290569.db2.gz IXSOAMFLNRNCLO-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308341066 631294710 /nfs/dbraw/zinc/29/47/10/631294710.db2.gz BSPKFVMBYODFER-OLZOCXBDSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308360517 631305178 /nfs/dbraw/zinc/30/51/78/631305178.db2.gz GHKVVXIFIFYJEA-SRVKXCTJSA-N 1 0 209.333 2.498 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)C12CCC2 ZINC000308376573 631314083 /nfs/dbraw/zinc/31/40/83/631314083.db2.gz TYOFFUNXFLAXMZ-QWRGUYRKSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308382014 631314726 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/nfs/dbraw/zinc/46/64/96/631466496.db2.gz CGGUGRIETJMILH-VXGBXAGGSA-N 1 0 212.337 2.426 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCC[C@H]1OC ZINC000308649193 631466973 /nfs/dbraw/zinc/46/69/73/631466973.db2.gz IZSKFWLYQSIIIY-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO C=C(CC)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933647937 631473761 /nfs/dbraw/zinc/47/37/61/631473761.db2.gz KWQASQSLNSTYRO-UHFFFAOYSA-N 1 0 235.327 2.290 20 30 BEEDRO C=CCC[NH2+][C@H](CC(=O)OC)C(C)(C)C ZINC000934033218 631634171 /nfs/dbraw/zinc/63/41/71/631634171.db2.gz XLKCUIXENZPUOG-SNVBAGLBSA-N 1 0 213.321 2.130 20 30 BEEDRO CC[C@H]1CCCC[N@@H+]1CCO[C@@H](C)C#N ZINC000308789859 631649293 /nfs/dbraw/zinc/64/92/93/631649293.db2.gz HTXVBSXITIRCBQ-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000308820049 631673172 /nfs/dbraw/zinc/67/31/72/631673172.db2.gz GDQQETTXUCNTEQ-UTUOFQBUSA-N 1 0 241.425 2.369 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccsc1)[C@H]1CCCO1 ZINC000308840298 631691662 /nfs/dbraw/zinc/69/16/62/631691662.db2.gz NEZBYHMQUCHFQY-NWDGAFQWSA-N 1 0 221.325 2.019 20 30 BEEDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000926346780 631725930 /nfs/dbraw/zinc/72/59/30/631725930.db2.gz WOSDHHSXDGLPNE-CHWSQXEVSA-N 1 0 236.359 2.331 20 30 BEEDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000926346783 631726185 /nfs/dbraw/zinc/72/61/85/631726185.db2.gz WOSDHHSXDGLPNE-STQMWFEESA-N 1 0 236.359 2.331 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934232938 631738810 /nfs/dbraw/zinc/73/88/10/631738810.db2.gz GXQFYZPWHZLUMB-STQMWFEESA-N 1 0 216.328 2.404 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CCC)C1 ZINC000972080222 631759151 /nfs/dbraw/zinc/75/91/51/631759151.db2.gz SURYYBKOPXQRIB-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C)C1 ZINC000309003907 631797680 /nfs/dbraw/zinc/79/76/80/631797680.db2.gz OYIMJANIHZMNKW-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000309021163 631802451 /nfs/dbraw/zinc/80/24/51/631802451.db2.gz XBNPDSGINBIQCY-AGIUHOORSA-N 1 0 204.317 2.316 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCc1cnn(CC)c1 ZINC000934459697 631850462 /nfs/dbraw/zinc/85/04/62/631850462.db2.gz DWMJIRVEQITIBG-ZDUSSCGKSA-N 1 0 219.332 2.096 20 30 BEEDRO C=CC[C@@H]1CCN1[C@H](C)c1nnc(CC)[nH]1 ZINC000934459939 631851925 /nfs/dbraw/zinc/85/19/25/631851925.db2.gz NTKWGHCKXDCUPK-NXEZZACHSA-N 1 0 220.320 2.079 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](OC)C1CCC1 ZINC000934460997 631852426 /nfs/dbraw/zinc/85/24/26/631852426.db2.gz UZHFTOOKLDNIAV-CHWSQXEVSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCC1CCOCC1 ZINC000934460174 631852617 /nfs/dbraw/zinc/85/26/17/631852617.db2.gz OKGIFAAOJVJAAT-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCc1c(C)noc1C ZINC000934461586 631857735 /nfs/dbraw/zinc/85/77/35/631857735.db2.gz RQSCWQQVNIUHNW-LBPRGKRZSA-N 1 0 220.316 2.484 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CC1CC(OCC)C1 ZINC000934466363 631861563 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/nfs/dbraw/zinc/87/61/21/631876121.db2.gz CONHGPATZANTMT-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)c1cccc(F)c1 ZINC000934512043 631894660 /nfs/dbraw/zinc/89/46/60/631894660.db2.gz YAANGMCLUCKNSQ-CABCVRRESA-N 1 0 247.313 2.347 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H](OCC)C1CC1 ZINC000934514734 631894821 /nfs/dbraw/zinc/89/48/21/631894821.db2.gz AZWPIMPKLBEALA-UONOGXRCSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCC(=O)C(C)C ZINC000934516547 631897601 /nfs/dbraw/zinc/89/76/01/631897601.db2.gz LCWFDIPJBQUJNO-LBPRGKRZSA-N 1 0 207.317 2.089 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)CCC)[C@@H]1CCCO1 ZINC000309239009 631975173 /nfs/dbraw/zinc/97/51/73/631975173.db2.gz XZKYCFNBVYGYES-AGIUHOORSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)C1CC1 ZINC000309213533 631968585 /nfs/dbraw/zinc/96/85/85/631968585.db2.gz TWQPPXXKTGEVJD-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000926426880 632000887 /nfs/dbraw/zinc/00/08/87/632000887.db2.gz SDKYIVWGQXYRPC-QWHCGFSZSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H](OC)[C@H]1CCOC1 ZINC000934646461 632001676 /nfs/dbraw/zinc/00/16/76/632001676.db2.gz GJIITBGUUVYVJS-KBPBESRZSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)NCC(C)C ZINC000934648785 632004127 /nfs/dbraw/zinc/00/41/27/632004127.db2.gz DWKCHOUDUMXZEP-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCOCC[NH2+]C1(C2CCCCC2)CC1 ZINC000934787557 632074576 /nfs/dbraw/zinc/07/45/76/632074576.db2.gz CQDJSAKUGOBXSK-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001028479297 635691276 /nfs/dbraw/zinc/69/12/76/635691276.db2.gz HISLWTCYUUMQAI-ZDUSSCGKSA-N 1 0 248.370 2.111 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCCCCO ZINC000051020059 632397819 /nfs/dbraw/zinc/39/78/19/632397819.db2.gz CHPSHNLTACRUSE-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO Cc1nonc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926514680 632412626 /nfs/dbraw/zinc/41/26/26/632412626.db2.gz YMMXSJCWFZYFBA-MIMYLULJSA-N 1 0 234.303 2.111 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H]2C2CC2)n1 ZINC000309519877 632445175 /nfs/dbraw/zinc/44/51/75/632445175.db2.gz BBRMYKCLGNNCPC-MNOVXSKESA-N 1 0 233.340 2.293 20 30 BEEDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926536807 632457743 /nfs/dbraw/zinc/45/77/43/632457743.db2.gz PFCRHVIXFLZKCG-NEPJUHHUSA-N 1 0 248.374 2.269 20 30 BEEDRO C[C@H](Cc1cnn(C)c1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926536810 632458384 /nfs/dbraw/zinc/45/83/84/632458384.db2.gz PFCRHVIXFLZKCG-VXGBXAGGSA-N 1 0 248.374 2.269 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000309528465 632468694 /nfs/dbraw/zinc/46/86/94/632468694.db2.gz BKVUWTKEMCTKGG-UONOGXRCSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]CC1CCCCC1)[C@@H]1CCCO1 ZINC000309544735 632483471 /nfs/dbraw/zinc/48/34/71/632483471.db2.gz HPOLXQAXVFHNCR-KBPBESRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000159031037 632499948 /nfs/dbraw/zinc/49/99/48/632499948.db2.gz AZXOEGWQCSSWTO-DGCLKSJQSA-N 1 0 230.311 2.335 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000162068383 632506546 /nfs/dbraw/zinc/50/65/46/632506546.db2.gz RPFCFGDQDVBICF-BDAKNGLRSA-N 1 0 234.137 2.052 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000235193677 632507813 /nfs/dbraw/zinc/50/78/13/632507813.db2.gz QXZJRHNUEKLUBE-LLVKDONJSA-N 1 0 210.280 2.346 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000162068265 632508464 /nfs/dbraw/zinc/50/84/64/632508464.db2.gz RPFCFGDQDVBICF-DTWKUNHWSA-N 1 0 234.137 2.052 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cn(C)cn1 ZINC000926570174 632567899 /nfs/dbraw/zinc/56/78/99/632567899.db2.gz VXSZSJLHUOOLGV-JTQLQIEISA-N 1 0 220.320 2.011 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1C(C)C ZINC000309077359 632634370 /nfs/dbraw/zinc/63/43/70/632634370.db2.gz MAUANXBDEDXZKQ-UPJWGTAASA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000309720196 632656287 /nfs/dbraw/zinc/65/62/87/632656287.db2.gz BNSQJOREQDYBDZ-QWRGUYRKSA-N 1 0 227.348 2.328 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccns1 ZINC000926611914 632662166 /nfs/dbraw/zinc/66/21/66/632662166.db2.gz TXLGUUKMSRWBKP-VWYCJHECSA-N 1 0 238.356 2.385 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccns1 ZINC000926611913 632662517 /nfs/dbraw/zinc/66/25/17/632662517.db2.gz TXLGUUKMSRWBKP-DCAQKATOSA-N 1 0 238.356 2.385 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972815756 632681589 /nfs/dbraw/zinc/68/15/89/632681589.db2.gz YQYFOPQMVGDUOO-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@]1([NH2+]CC#Cc2ccccc2)CCCOC1 ZINC000235442198 632737119 /nfs/dbraw/zinc/73/71/19/632737119.db2.gz NJDRUQYPXCYKQY-OAHLLOKOSA-N 1 0 229.323 2.197 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000177128477 632763576 /nfs/dbraw/zinc/76/35/76/632763576.db2.gz XXUJRYQNCGOELE-UHFFFAOYSA-N 1 0 243.354 2.185 20 30 BEEDRO CCCCCCCN(C)Cc1nc[nH]n1 ZINC000177154500 632772206 /nfs/dbraw/zinc/77/22/06/632772206.db2.gz RVAPVVMPJYGTKG-UHFFFAOYSA-N 1 0 210.325 2.207 20 30 BEEDRO CCCCCCC[N@H+](C)CC1(O)CCOCC1 ZINC000162255864 632812553 /nfs/dbraw/zinc/81/25/53/632812553.db2.gz WCUCBQCLCJCYSS-UHFFFAOYSA-N 1 0 243.391 2.430 20 30 BEEDRO C=CCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000177460042 632825811 /nfs/dbraw/zinc/82/58/11/632825811.db2.gz UBZBDYSRKNXZMA-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C#CCC[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000163134736 635830224 /nfs/dbraw/zinc/83/02/24/635830224.db2.gz XOXUIASZEONYSI-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCNC(=[NH2+])NCCCC1CCCCC1 ZINC000066243025 632860104 /nfs/dbraw/zinc/86/01/04/632860104.db2.gz QCROOFWPVRWAGS-UHFFFAOYSA-N 1 0 223.364 2.437 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(Sc2ccccc2)C1 ZINC000926725673 632883068 /nfs/dbraw/zinc/88/30/68/632883068.db2.gz AJUAUFPLMPJZCF-LKSINWNRSA-N 1 0 249.379 2.446 20 30 BEEDRO C#CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000178053896 632936087 /nfs/dbraw/zinc/93/60/87/632936087.db2.gz UOJPZIQYEWOJIG-UHFFFAOYSA-N 1 0 248.292 2.016 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCN(CCC)C2)cc1 ZINC000850394720 632974494 /nfs/dbraw/zinc/97/44/94/632974494.db2.gz AQEVCNVOVGQKRZ-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccccc1C ZINC000309376633 632990471 /nfs/dbraw/zinc/99/04/71/632990471.db2.gz CSZFHFBRCDNIFD-CYBMUJFWSA-N 1 0 217.312 2.295 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000229835847 632992104 /nfs/dbraw/zinc/99/21/04/632992104.db2.gz ADIBHALBOJNRGE-CYBMUJFWSA-N 1 0 239.265 2.001 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000229964655 633003356 /nfs/dbraw/zinc/00/33/56/633003356.db2.gz AHRPDOYHUCMKFZ-OLZOCXBDSA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000229970706 633003867 /nfs/dbraw/zinc/00/38/67/633003867.db2.gz HIPPAJNYHULMEI-GFCCVEGCSA-N 1 0 232.327 2.208 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(OC)c1F ZINC000229967936 633003975 /nfs/dbraw/zinc/00/39/75/633003975.db2.gz SFROALJOSIZWEM-LLVKDONJSA-N 1 0 221.275 2.336 20 30 BEEDRO CC[N@H+](CCCCCCO)C[C@@H](C)C#N ZINC000175755914 633006152 /nfs/dbraw/zinc/00/61/52/633006152.db2.gz QTJNXKDTOSGCEN-LBPRGKRZSA-N 1 0 212.337 2.021 20 30 BEEDRO C=CC[C@@H]1CCCN(c2nc(N)cc(C)[nH+]2)C1 ZINC000894522650 635906456 /nfs/dbraw/zinc/90/64/56/635906456.db2.gz MWIKMHBMNRZYBX-LLVKDONJSA-N 1 0 232.331 2.160 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000926785064 633063084 /nfs/dbraw/zinc/06/30/84/633063084.db2.gz IBPWINUPAQMFAE-BBMNEWJDSA-N 1 0 248.370 2.328 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164472018 633078548 /nfs/dbraw/zinc/07/85/48/633078548.db2.gz JJFBETVUTJVIHG-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c2c(nn1C)CCC2)C(C)(C)C ZINC000894517295 635904966 /nfs/dbraw/zinc/90/49/66/635904966.db2.gz HMXCOPORVBNXHD-AWEZNQCLSA-N 1 0 245.370 2.046 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1ccoc1 ZINC000170904457 633177021 /nfs/dbraw/zinc/17/70/21/633177021.db2.gz DVRVBMSPJPNBSU-UHFFFAOYSA-N 1 0 223.320 2.264 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CCCCC1)[C@@H]1CCCO1 ZINC000309544736 633194083 /nfs/dbraw/zinc/19/40/83/633194083.db2.gz HPOLXQAXVFHNCR-KGLIPLIRSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894737992 635918911 /nfs/dbraw/zinc/91/89/11/635918911.db2.gz MCGJTWPKAWLJAQ-SNVBAGLBSA-N 1 0 248.326 2.036 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C)cc(OC)c1O)C(C)C ZINC000894738589 635920127 /nfs/dbraw/zinc/92/01/27/635920127.db2.gz WEISVBRPYMFQGH-CYBMUJFWSA-N 1 0 247.338 2.457 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1nc2c(s1)CCC2)C(C)C ZINC000309603432 633210037 /nfs/dbraw/zinc/21/00/37/633210037.db2.gz KRRPXCFPRQGMGP-SNVBAGLBSA-N 1 0 234.368 2.379 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000171801533 633211878 /nfs/dbraw/zinc/21/18/78/633211878.db2.gz MMYDKHHMHPFIDF-WCQYABFASA-N 1 0 245.370 2.419 20 30 BEEDRO C#CCC[C@H](O)CNc1cc[nH+]c(C)c1Cl ZINC000309621003 633212825 /nfs/dbraw/zinc/21/28/25/633212825.db2.gz DIDOLGXOAYGPGE-JTQLQIEISA-N 1 0 238.718 2.230 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1cc(C)ccc1F ZINC000328011062 633214995 /nfs/dbraw/zinc/21/49/95/633214995.db2.gz PYBHHISIQZRPHC-UHFFFAOYSA-N 1 0 248.345 2.179 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC1CCC1 ZINC000328101938 633237449 /nfs/dbraw/zinc/23/74/49/633237449.db2.gz LJXUDVZHVNQAEK-ZDUSSCGKSA-N 1 0 222.376 2.110 20 30 BEEDRO Cc1csc([C@@H](C)[NH2+]CCO[C@H](C)C#N)n1 ZINC000304237561 635939614 /nfs/dbraw/zinc/93/96/14/635939614.db2.gz MVNSLBXYKUQPQS-NXEZZACHSA-N 1 0 239.344 2.031 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCO[C@@H](C)C#N)C1 ZINC000304376843 635940913 /nfs/dbraw/zinc/94/09/13/635940913.db2.gz PTNONMJCGUCKGY-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2COCC2(C)C)c1 ZINC000894940036 636010679 /nfs/dbraw/zinc/01/06/79/636010679.db2.gz GXGQXTUSOJIGLH-CQSZACIVSA-N 1 0 229.323 2.183 20 30 BEEDRO CN(C)C(=[NH+]C/C=C\c1ccccc1)N(C)C ZINC000428988959 636046205 /nfs/dbraw/zinc/04/62/05/636046205.db2.gz HQGDKBVHHUYLMV-FLIBITNWSA-N 1 0 231.343 2.179 20 30 BEEDRO C[C@H](C#N)C[NH2+]Cc1cc(Cl)ccc1O ZINC000054180076 636047380 /nfs/dbraw/zinc/04/73/80/636047380.db2.gz HXEWQVZKCJKBSQ-MRVPVSSYSA-N 1 0 224.691 2.295 20 30 BEEDRO C[C@@H](C#N)C[NH2+]Cc1cc(Cl)ccc1O ZINC000054180078 636047869 /nfs/dbraw/zinc/04/78/69/636047869.db2.gz HXEWQVZKCJKBSQ-QMMMGPOBSA-N 1 0 224.691 2.295 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000328258337 633748249 /nfs/dbraw/zinc/74/82/49/633748249.db2.gz KUWVQHYNBWIKBL-QLFBSQMISA-N 1 0 236.403 2.356 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)CC1 ZINC000926874577 633760805 /nfs/dbraw/zinc/76/08/05/633760805.db2.gz RENGMZGMHCCFFR-CHWSQXEVSA-N 1 0 236.359 2.211 20 30 BEEDRO C#CCCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000893091025 633828392 /nfs/dbraw/zinc/82/83/92/633828392.db2.gz BMDKNKQKGIJCPO-NXEZZACHSA-N 1 0 230.149 2.163 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000930588505 633913287 /nfs/dbraw/zinc/91/32/87/633913287.db2.gz GZMFMTGDWHYPEI-ITGUQSILSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCCCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925528635 633917245 /nfs/dbraw/zinc/91/72/45/633917245.db2.gz UCPVNWHSAMHXSM-RYUDHWBXSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCO1 ZINC000309541925 633947359 /nfs/dbraw/zinc/94/73/59/633947359.db2.gz GRCNGUYNKGUBMX-UONOGXRCSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C[C@@H]1CCOC1)C(C)(C)C ZINC000309747353 634001005 /nfs/dbraw/zinc/00/10/05/634001005.db2.gz JMEIKZNXPSKIQJ-AGIUHOORSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC)c(F)c1 ZINC000309974469 634004911 /nfs/dbraw/zinc/00/49/11/634004911.db2.gz RSULDOLMBPJXJL-SNVBAGLBSA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC=C)[C@H]1CCCO1 ZINC000309791468 634007222 /nfs/dbraw/zinc/00/72/22/634007222.db2.gz UNLUSMVBOBMNKL-YIYPIFLZSA-N 1 0 221.344 2.358 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)ccnc2N)CC1 ZINC000895478020 636150250 /nfs/dbraw/zinc/15/02/50/636150250.db2.gz UKJMDQHQDCSULB-JOCQHMNTSA-N 1 0 243.354 2.254 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000895489718 636151835 /nfs/dbraw/zinc/15/18/35/636151835.db2.gz HHZYXLDEPLEHQD-HNNXBMFYSA-N 1 0 233.355 2.383 20 30 BEEDRO CCCCNC(=[NH2+])NCCCCCSC ZINC000187051049 634093965 /nfs/dbraw/zinc/09/39/65/634093965.db2.gz UAKVCCIBCOOHDS-UHFFFAOYSA-N 1 0 231.409 2.224 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccc(C)c2)C1 ZINC000930886048 634152496 /nfs/dbraw/zinc/15/24/96/634152496.db2.gz QIJLVOBKUFQJGJ-GOEBONIOSA-N 1 0 243.350 2.374 20 30 BEEDRO CO[C@@H](C)C[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000191140920 634205621 /nfs/dbraw/zinc/20/56/21/634205621.db2.gz FXLMQUCREABEJM-RYUDHWBXSA-N 1 0 248.326 2.102 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)CC1 ZINC000931060266 634207285 /nfs/dbraw/zinc/20/72/85/634207285.db2.gz SFZAQKALERZBDL-WUCCLRPBSA-N 1 0 248.370 2.285 20 30 BEEDRO C[C@@H]1NCCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670937 634254946 /nfs/dbraw/zinc/25/49/46/634254946.db2.gz AWSINOLQQRCJBB-RYUDHWBXSA-N 1 0 223.364 2.046 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000162697552 634283805 /nfs/dbraw/zinc/28/38/05/634283805.db2.gz GGHVRFRRDJXGSM-ZETCQYMHSA-N 1 0 213.712 2.046 20 30 BEEDRO CCCSC[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000893545622 635132325 /nfs/dbraw/zinc/13/23/25/635132325.db2.gz UNPKAPLMPDWYQM-VHSXEESVSA-N 1 0 200.351 2.267 20 30 BEEDRO C#CCCCCCC[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000931699479 635249805 /nfs/dbraw/zinc/24/98/05/635249805.db2.gz YGZXBBIMOWRKKY-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccoc2)C1 ZINC000980913493 635298290 /nfs/dbraw/zinc/29/82/90/635298290.db2.gz BYFWSPHHXAFAHW-OLZOCXBDSA-N 1 0 248.326 2.096 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC000980936154 635301842 /nfs/dbraw/zinc/30/18/42/635301842.db2.gz BVXMDFAAEFMSNT-ACAGNQJTSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC000981008738 635309942 /nfs/dbraw/zinc/30/99/42/635309942.db2.gz BMXUZQZEDKXNEL-KGLIPLIRSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CNOC1 ZINC000925859237 635553191 /nfs/dbraw/zinc/55/31/91/635553191.db2.gz GITXMVXSFFWAAF-NWDGAFQWSA-N 1 0 212.337 2.004 20 30 BEEDRO C=CCCCC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927702950 635688391 /nfs/dbraw/zinc/68/83/91/635688391.db2.gz DKSAPUVLAJCVIH-UHFFFAOYSA-N 1 0 247.342 2.120 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000304224027 635935566 /nfs/dbraw/zinc/93/55/66/635935566.db2.gz ILUGIDDVJGDXHT-FVCCEPFGSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2nc(C(C)C)c[nH]2)C1 ZINC000895389366 636140771 /nfs/dbraw/zinc/14/07/71/636140771.db2.gz DDVTYRNOGKLKGI-GFCCVEGCSA-N 1 0 231.343 2.378 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@@]1(C)CCCS1 ZINC000320279759 636191353 /nfs/dbraw/zinc/19/13/53/636191353.db2.gz NNOSPWINZJCHHK-VXGBXAGGSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCC(C)(C)SC ZINC000320330510 636226598 /nfs/dbraw/zinc/22/65/98/636226598.db2.gz YYPQIFLHNSVKSF-JTQLQIEISA-N 1 0 217.378 2.045 20 30 BEEDRO C=C(Cl)C[N@@H+](C)C1CCN(C(=O)CC)CC1 ZINC000985189282 636261397 /nfs/dbraw/zinc/26/13/97/636261397.db2.gz KLLGODJCEJWQPM-UHFFFAOYSA-N 1 0 244.766 2.072 20 30 BEEDRO Cc1cncc(CNC(=[NH2+])Nc2ccccc2)c1 ZINC000305636382 636328609 /nfs/dbraw/zinc/32/86/09/636328609.db2.gz HZPURQOQTGKIRW-UHFFFAOYSA-N 1 0 240.310 2.317 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccccc2)[C@H]1C ZINC000985903956 636449771 /nfs/dbraw/zinc/44/97/71/636449771.db2.gz XOKCFJPLMYGIPK-JSGCOSHPSA-N 1 0 244.338 2.065 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(\C)C2CC2)[C@@H]1C ZINC000985994928 636463570 /nfs/dbraw/zinc/46/35/70/636463570.db2.gz OPZIFHZHLIMGCB-KCHUQEOMSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C\C2CC2)[C@H]1C ZINC000986099529 636504079 /nfs/dbraw/zinc/50/40/79/636504079.db2.gz FHSPVSCUINELPX-SLBFPRPFSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)[C@@H]1C ZINC000986134143 636528877 /nfs/dbraw/zinc/52/88/77/636528877.db2.gz COILJMCEBNHXKK-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)[C@H]1C ZINC000986134701 636532970 /nfs/dbraw/zinc/53/29/70/636532970.db2.gz LOCIVPZAVMQLOA-BLJGWETHSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)[C@@H]1C ZINC000986153345 636533785 /nfs/dbraw/zinc/53/37/85/636533785.db2.gz WJCJFNCWBPTDSP-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000840731618 636554480 /nfs/dbraw/zinc/55/44/80/636554480.db2.gz YIISVPODVUXLHT-JTQLQIEISA-N 1 0 240.734 2.363 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191769814 636629455 /nfs/dbraw/zinc/62/94/55/636629455.db2.gz KICXOUSAXLCVCV-KGLIPLIRSA-N 1 0 243.391 2.429 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000862550504 636631737 /nfs/dbraw/zinc/63/17/37/636631737.db2.gz MOGKJSRUFXKHHH-MCIONIFRSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000321503909 636648292 /nfs/dbraw/zinc/64/82/92/636648292.db2.gz VDZKUJFOCCMGCA-SMDDNHRTSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C=C(C)C)C1 ZINC000987869589 636672249 /nfs/dbraw/zinc/67/22/49/636672249.db2.gz SVHFQFYALDHCQW-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988588624 636741637 /nfs/dbraw/zinc/74/16/37/636741637.db2.gz RPERSYBODSFONH-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000191226361 636790315 /nfs/dbraw/zinc/79/03/15/636790315.db2.gz HQHWFMZFBZMMKF-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C1CC(CCO)C1 ZINC000898011653 636852262 /nfs/dbraw/zinc/85/22/62/636852262.db2.gz SDAXWGHPAHIEKD-CPCZMJQVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[N@@H+]1CC[C@]2(NC(=O)CC)CCC[C@@H]12 ZINC000989875641 636888963 /nfs/dbraw/zinc/88/89/63/636888963.db2.gz ASFWGRSFURYUIR-TZMCWYRMSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[N@@H+]1CC[C@@]2(NC(=O)C3CCC3)CCC[C@H]12 ZINC000989891640 636891753 /nfs/dbraw/zinc/89/17/53/636891753.db2.gz AOAKWWDIILWXCY-ZFWWWQNUSA-N 1 0 248.370 2.086 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000898387484 637041258 /nfs/dbraw/zinc/04/12/58/637041258.db2.gz PCYQHSQXSOVMAD-CABCVRRESA-N 1 0 242.322 2.073 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](CO)C1 ZINC000927144233 637054030 /nfs/dbraw/zinc/05/40/30/637054030.db2.gz JWFIGQJENUUFQU-XDQVBPFNSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)/C(C)=C\C)CC1 ZINC000990846001 637186439 /nfs/dbraw/zinc/18/64/39/637186439.db2.gz MVUXVDATCGGUGW-XGICHPGQSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](C)[C@H]1C ZINC000900826064 637192721 /nfs/dbraw/zinc/19/27/21/637192721.db2.gz CANAXSGAFWVDQR-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCSCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903121635 637344084 /nfs/dbraw/zinc/34/40/84/637344084.db2.gz SMKXSUCZPVQWPU-CQSZACIVSA-N 1 0 246.379 2.489 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCOC12CCCC2 ZINC000903124147 637344285 /nfs/dbraw/zinc/34/42/85/637344285.db2.gz GWVOIUOELOKOIJ-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000903179617 637349566 /nfs/dbraw/zinc/34/95/66/637349566.db2.gz RRYNKSABVOTLOQ-MLGHIDQZSA-N 1 0 207.317 2.108 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCC[C@H]2OC)c1 ZINC000903182559 637351349 /nfs/dbraw/zinc/35/13/49/637351349.db2.gz DTDQIIGQMMWOGW-LSDHHAIUSA-N 1 0 229.323 2.325 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000903186743 637355078 /nfs/dbraw/zinc/35/50/78/637355078.db2.gz TUVVVYPJASBACT-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cn(CC)cn1 ZINC000904437150 637405337 /nfs/dbraw/zinc/40/53/37/637405337.db2.gz NXCMYHHTGVRJNG-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO CN(Cc1cc(C#N)cs1)C[C@@]1(C)CC[NH2+]C1 ZINC000904469006 637423615 /nfs/dbraw/zinc/42/36/15/637423615.db2.gz HTBNTRAWUZPEPM-ZDUSSCGKSA-N 1 0 249.383 2.051 20 30 BEEDRO C=CC(C)(C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000904505680 637429494 /nfs/dbraw/zinc/42/94/94/637429494.db2.gz GOVXRPKFKZWEKU-UHFFFAOYSA-N 1 0 247.342 2.492 20 30 BEEDRO C=CCCN(C)C(=O)Nc1ccccc1C[NH3+] ZINC000904639143 637449569 /nfs/dbraw/zinc/44/95/69/637449569.db2.gz IDFZPAIAMNRZER-UHFFFAOYSA-N 1 0 233.315 2.185 20 30 BEEDRO C=CCCc1noc([C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000904732364 637460917 /nfs/dbraw/zinc/46/09/17/637460917.db2.gz BRJONRGBIJYITM-VHSXEESVSA-N 1 0 221.304 2.173 20 30 BEEDRO C=CCCc1noc([C@](C)(C[NH3+])CC(C)C)n1 ZINC000904735909 637462286 /nfs/dbraw/zinc/46/22/86/637462286.db2.gz ZXHNYIZLVBTOEG-ZDUSSCGKSA-N 1 0 237.347 2.451 20 30 BEEDRO C=CCCc1noc(C[C@H]([NH3+])C(C)(C)C)n1 ZINC000904732763 637463682 /nfs/dbraw/zinc/46/36/82/637463682.db2.gz CTSHXDYCXRJLFB-VIFPVBQESA-N 1 0 223.320 2.104 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cnn(CC#N)c2)s1 ZINC000904859978 637498825 /nfs/dbraw/zinc/49/88/25/637498825.db2.gz UXLJRTVYVAAJJN-UHFFFAOYSA-N 1 0 246.339 2.197 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905244443 637702950 /nfs/dbraw/zinc/70/29/50/637702950.db2.gz YAPOSKSIFDLCBH-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905272806 637732472 /nfs/dbraw/zinc/73/24/72/637732472.db2.gz KWFKFNBWVDCVGY-JTQLQIEISA-N 1 0 239.281 2.492 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@](C)(O)C(F)F ZINC000905388269 637786360 /nfs/dbraw/zinc/78/63/60/637786360.db2.gz DLGHSSQWZUCJHS-LLVKDONJSA-N 1 0 221.291 2.194 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC2(CC3CC3)CC2)CC1 ZINC000905418574 637803792 /nfs/dbraw/zinc/80/37/92/637803792.db2.gz QRAZBMIRMXZPCY-ZDUSSCGKSA-N 1 0 248.370 2.211 20 30 BEEDRO FC(F)(F)CCNN=C1C[C@H]2CCC[N@@H+](C1)C2 ZINC000905468270 637829225 /nfs/dbraw/zinc/82/92/25/637829225.db2.gz SVCHWANHOQJXAR-SECBINFHSA-N 1 0 249.280 2.000 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@]23C[C@H]2CCCC3)CC1 ZINC000905509411 637831699 /nfs/dbraw/zinc/83/16/99/637831699.db2.gz OOKRWFQFCDOYDV-IPYPFGDCSA-N 1 0 248.370 2.211 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000905473021 637832283 /nfs/dbraw/zinc/83/22/83/637832283.db2.gz KSYYJQCURHIONQ-XGFWRYKXSA-N 1 0 231.343 2.312 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621072 637860676 /nfs/dbraw/zinc/86/06/76/637860676.db2.gz KPPWNKSXESKCEU-DYEKYZERSA-N 1 0 236.359 2.067 20 30 BEEDRO CC1(C[NH2+]C[C@H](C#N)CCC#N)CC(F)(F)C1 ZINC000905778971 637908112 /nfs/dbraw/zinc/90/81/12/637908112.db2.gz YYFUCSCUXNSOCW-JTQLQIEISA-N 1 0 241.285 2.455 20 30 BEEDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@H](C#N)CCC#N ZINC000905781450 637910269 /nfs/dbraw/zinc/91/02/69/637910269.db2.gz RCZCVFQVFHNDLV-AAEUAGOBSA-N 1 0 219.332 2.456 20 30 BEEDRO CC1(C)C[C@]1(C)C[NH2+]C[C@@H](C#N)CCC#N ZINC000905781452 637910995 /nfs/dbraw/zinc/91/09/95/637910995.db2.gz RCZCVFQVFHNDLV-DGCLKSJQSA-N 1 0 219.332 2.456 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000905948749 637996220 /nfs/dbraw/zinc/99/62/20/637996220.db2.gz OYSCPYSUOUVHIL-STQMWFEESA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000906724895 638239890 /nfs/dbraw/zinc/23/98/90/638239890.db2.gz NYJAYWQLPIARGT-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H]1CCC1(OC)OC ZINC000710999617 711454494 /nfs/dbraw/zinc/45/44/94/711454494.db2.gz WFSIDWGIZPZCPI-MNOVXSKESA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)CC ZINC000907736114 638459848 /nfs/dbraw/zinc/45/98/48/638459848.db2.gz ATSIRYABNLBTSZ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907852265 638486951 /nfs/dbraw/zinc/48/69/51/638486951.db2.gz JBHFWROBOQGKBK-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO CCCCCCCCN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000149475568 638501561 /nfs/dbraw/zinc/50/15/61/638501561.db2.gz KTGAMBNLMBWENV-ZIAGYGMSSA-N 1 0 242.407 2.395 20 30 BEEDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C#N)cc1 ZINC000712561624 711472873 /nfs/dbraw/zinc/47/28/73/711472873.db2.gz CATVTXBZAVFFGK-ZDUSSCGKSA-N 1 0 215.300 2.064 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCCC[C@H]1C(=O)OC ZINC000930252748 639660438 /nfs/dbraw/zinc/66/04/38/639660438.db2.gz DCPMXCCNMNOCBC-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C(=O)OC)[C@H](C)CC ZINC000930252706 639663597 /nfs/dbraw/zinc/66/35/97/639663597.db2.gz CEPXAUNJOLZPBX-GHMZBOCLSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C/C(C)=C/C(=O)OC ZINC000930265364 639669553 /nfs/dbraw/zinc/66/95/53/639669553.db2.gz VNCUPGPPHIRIAF-ZKQHCESOSA-N 1 0 223.316 2.146 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C/C(C)=C/C(=O)OC ZINC000930265361 639670100 /nfs/dbraw/zinc/67/01/00/639670100.db2.gz VNCUPGPPHIRIAF-LMMOQWNQSA-N 1 0 223.316 2.146 20 30 BEEDRO CC1(C)C[N@H+](CC2CCC(C#N)CC2)C[C@H]1O ZINC000930271611 639676822 /nfs/dbraw/zinc/67/68/22/639676822.db2.gz XEOPKQNVZSFVQJ-WXRRBKDZSA-N 1 0 236.359 2.019 20 30 BEEDRO C#CCCCCCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000930459897 639761355 /nfs/dbraw/zinc/76/13/55/639761355.db2.gz FFHIQDBERZDIFM-AWEZNQCLSA-N 1 0 238.375 2.060 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911768442 639792929 /nfs/dbraw/zinc/79/29/29/639792929.db2.gz QMWBOWFJSZCFAH-TZMCWYRMSA-N 1 0 246.354 2.405 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000911767402 639793547 /nfs/dbraw/zinc/79/35/47/639793547.db2.gz LEARGMXEUMJRDR-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOC1CCSCC1 ZINC000930600524 639816639 /nfs/dbraw/zinc/81/66/39/639816639.db2.gz KXDJCKFAAMUEAF-CYBMUJFWSA-N 1 0 241.400 2.290 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)c1snnc1C ZINC000930601035 639816747 /nfs/dbraw/zinc/81/67/47/639816747.db2.gz PZZYDDRNBBRQDT-KWQFWETISA-N 1 0 223.345 2.299 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOC1CCSCC1 ZINC000930600525 639817006 /nfs/dbraw/zinc/81/70/06/639817006.db2.gz KXDJCKFAAMUEAF-ZDUSSCGKSA-N 1 0 241.400 2.290 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)CC(C)(C)CO ZINC000930605731 639817743 /nfs/dbraw/zinc/81/77/43/639817743.db2.gz JAMRQZBRKUQHAA-UHFFFAOYSA-N 1 0 238.375 2.267 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000930637825 639835479 /nfs/dbraw/zinc/83/54/79/639835479.db2.gz GZADLAQXXNNCOQ-PQAZSJQKSA-N 1 0 234.343 2.249 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000911819275 639836405 /nfs/dbraw/zinc/83/64/05/639836405.db2.gz OTEDJJNHSVHXIQ-RYUDHWBXSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000930638776 639836732 /nfs/dbraw/zinc/83/67/32/639836732.db2.gz KLLWESCHCOEPFS-ROHXPCBUSA-N 1 0 243.297 2.211 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911870427 639853018 /nfs/dbraw/zinc/85/30/18/639853018.db2.gz LQDAIJJANORZKU-STQMWFEESA-N 1 0 240.391 2.421 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911870426 639853364 /nfs/dbraw/zinc/85/33/64/639853364.db2.gz LQDAIJJANORZKU-QWHCGFSZSA-N 1 0 240.391 2.421 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC([NH3+])(CC)CC ZINC000911858537 639861253 /nfs/dbraw/zinc/86/12/53/639861253.db2.gz UGWUQBFIDFSRTD-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)Cc1ccccc1 ZINC000911900114 639861409 /nfs/dbraw/zinc/86/14/09/639861409.db2.gz PKXVTHFBCRNHHV-AWEZNQCLSA-N 1 0 246.354 2.329 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](COC)C(C)C ZINC000930691827 639863038 /nfs/dbraw/zinc/86/30/38/639863038.db2.gz AHXUTEFLPYDKGI-NEPJUHHUSA-N 1 0 212.337 2.187 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCCCCC ZINC000911927016 639882705 /nfs/dbraw/zinc/88/27/05/639882705.db2.gz IUMZVYYTJVXAKT-GFCCVEGCSA-N 1 0 226.364 2.367 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC1CCCCC1 ZINC000911927741 639884500 /nfs/dbraw/zinc/88/45/00/639884500.db2.gz QYBHKEDZVMWFDJ-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(F)c1 ZINC000911904197 639885722 /nfs/dbraw/zinc/88/57/22/639885722.db2.gz HFNXRBNPFKASHZ-GFCCVEGCSA-N 1 0 236.290 2.448 20 30 BEEDRO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000930742268 639889685 /nfs/dbraw/zinc/88/96/85/639889685.db2.gz FVAMTSFBWXIUFA-FRRDWIJNSA-N 1 0 238.375 2.408 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)c2ncccn2)C1 ZINC000930816560 639919149 /nfs/dbraw/zinc/91/91/49/639919149.db2.gz MWSBHOADVAZPHV-STQMWFEESA-N 1 0 229.327 2.273 20 30 BEEDRO CCCN(CCC[NH+](C)C)c1ccnc(C#N)c1 ZINC000912081731 639950377 /nfs/dbraw/zinc/95/03/77/639950377.db2.gz LWHBYTDQOWKBFH-UHFFFAOYSA-N 1 0 246.358 2.121 20 30 BEEDRO C[C@H](O)C[N@H+](CC1CCC(C#N)CC1)C1CC1 ZINC000930891966 639977553 /nfs/dbraw/zinc/97/75/53/639977553.db2.gz MYGPJSTYXBEMMM-HIFPTAJRSA-N 1 0 236.359 2.162 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CCNc2ccnc(C#N)c2)C1 ZINC000912196682 639990205 /nfs/dbraw/zinc/99/02/05/639990205.db2.gz XFANCVIXHQKOHH-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[N@@H+]1CCC[C@H](CCNc2ccnc(C#N)c2)C1 ZINC000912196674 639991593 /nfs/dbraw/zinc/99/15/93/639991593.db2.gz XFANCVIXHQKOHH-GFCCVEGCSA-N 1 0 244.342 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BEEDRO C=C1CCC(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912903572 640248500 /nfs/dbraw/zinc/24/85/00/640248500.db2.gz NJSQSGSVQLDSGS-AWEZNQCLSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C(=C)CC[NH+](C)C ZINC000912973953 640259854 /nfs/dbraw/zinc/25/98/54/640259854.db2.gz NVKPZLSYHFFZRN-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC000931714858 640334809 /nfs/dbraw/zinc/33/48/09/640334809.db2.gz LGNCGCJFCUNKPK-LLVKDONJSA-N 1 0 220.341 2.031 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC000931714859 640337061 /nfs/dbraw/zinc/33/70/61/640337061.db2.gz LGNCGCJFCUNKPK-NSHDSACASA-N 1 0 220.341 2.031 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(C)c2)C1 ZINC000931715354 640337094 /nfs/dbraw/zinc/33/70/94/640337094.db2.gz TZIFPMDLTITODM-GOEBONIOSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC000931715642 640337287 /nfs/dbraw/zinc/33/72/87/640337287.db2.gz ZJQNXEJTFUXBBI-ZIAGYGMSSA-N 1 0 223.360 2.250 20 30 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VCORUTXGZBKBNJ-FRRDWIJNSA-N 1 0 222.332 2.037 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000044724238 640462311 /nfs/dbraw/zinc/46/23/11/640462311.db2.gz ULIWFIPFGYTXHK-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO Cn1nccc1[C@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000932266129 640465475 /nfs/dbraw/zinc/46/54/75/640465475.db2.gz WAHIITNAGLPLIS-CYBMUJFWSA-N 1 0 246.358 2.497 20 30 BEEDRO Cc1cc(C[N@@H+]2CCO[C@@H](C)CC2)ccc1C#N ZINC000932338504 640480402 /nfs/dbraw/zinc/48/04/02/640480402.db2.gz BPNGQCBKGGMNCY-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932351953 640494370 /nfs/dbraw/zinc/49/43/70/640494370.db2.gz JBFOTOCCMOMKRM-PWSUYJOCSA-N 1 0 217.316 2.482 20 30 BEEDRO C=CCC[NH2+][C@H](c1ncccn1)C1CC1 ZINC000932354081 640496770 /nfs/dbraw/zinc/49/67/70/640496770.db2.gz QUJQCGMAVDDCND-NSHDSACASA-N 1 0 203.289 2.093 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000164836929 640506860 /nfs/dbraw/zinc/50/68/60/640506860.db2.gz QEBYNJFDHCLKEW-SNVBAGLBSA-N 1 0 224.348 2.472 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@H]2CCC[C@H]2O1)C(C)C ZINC000932382618 640508462 /nfs/dbraw/zinc/50/84/62/640508462.db2.gz ARFLVTMBSLETCS-HZSPNIEDSA-N 1 0 221.344 2.288 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@@H]2CCC[C@H]2O1)C(C)C ZINC000932382623 640509101 /nfs/dbraw/zinc/50/91/01/640509101.db2.gz ARFLVTMBSLETCS-MELADBBJSA-N 1 0 221.344 2.288 20 30 BEEDRO C#CC[N@H+](Cc1ccncc1C)C(C)C ZINC000932384330 640510164 /nfs/dbraw/zinc/51/01/64/640510164.db2.gz PKIBHTCDOVDRHP-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)C(C)C ZINC000932383644 640511917 /nfs/dbraw/zinc/51/19/17/640511917.db2.gz JTALRMYZBAEVTL-WDEREUQCSA-N 1 0 249.276 2.440 20 30 BEEDRO C#CC[N@@H+](CCc1c(C)noc1C)C(C)C ZINC000932388549 640516829 /nfs/dbraw/zinc/51/68/29/640516829.db2.gz NTIMTHBPBQUYII-UHFFFAOYSA-N 1 0 220.316 2.178 20 30 BEEDRO C#CCN(CCC[NH+]1CCCCC1)C(C)C ZINC000932388682 640517154 /nfs/dbraw/zinc/51/71/54/640517154.db2.gz SHYGOAGYPOCHRR-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C#CC[N@H+](C[C@@H]1C[C@@]12CCOC2)C(C)(C)C ZINC000932461669 640531480 /nfs/dbraw/zinc/53/14/80/640531480.db2.gz UUGNYWIJUXFWAG-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[N@@H+](Cc1[nH]c(C)nc1C)C(C)(C)C ZINC000932460257 640532386 /nfs/dbraw/zinc/53/23/86/640532386.db2.gz IDDAHZZRWLQYMW-UHFFFAOYSA-N 1 0 219.332 2.260 20 30 BEEDRO C#CC[N@@H+](CCc1cnn(CC)c1)C(C)(C)C ZINC000932463104 640534120 /nfs/dbraw/zinc/53/41/20/640534120.db2.gz GBJUMYUGAYIGJO-UHFFFAOYSA-N 1 0 233.359 2.179 20 30 BEEDRO C#CC[N@@H+](CCC(=O)OC(C)C)C(C)(C)C ZINC000932464082 640537425 /nfs/dbraw/zinc/53/74/25/640537425.db2.gz LJDSZGBXMBUBGJ-UHFFFAOYSA-N 1 0 225.332 2.062 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)C[C@@H]2C=CCC2)C1 ZINC001030091690 640587332 /nfs/dbraw/zinc/58/73/32/640587332.db2.gz GSIVCBQRPNHTKB-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000876940721 640589289 /nfs/dbraw/zinc/58/92/89/640589289.db2.gz ZKHSVNUBPVDLSK-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000932722367 640605560 /nfs/dbraw/zinc/60/55/60/640605560.db2.gz XXDSTWDBUDKKGF-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000166443420 640640976 /nfs/dbraw/zinc/64/09/76/640640976.db2.gz ODKBJLUTGGEWMK-NSHDSACASA-N 1 0 210.280 2.346 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccccc1OC ZINC000166466943 640644833 /nfs/dbraw/zinc/64/48/33/640644833.db2.gz POJPSCWQGBQISO-NWDGAFQWSA-N 1 0 217.312 2.238 20 30 BEEDRO CCCCCCC[N@H+](C)[C@H]1CCS(=O)(=O)C1 ZINC000157338492 640665664 /nfs/dbraw/zinc/66/56/64/640665664.db2.gz NJYGANDAMMOEJZ-LBPRGKRZSA-N 1 0 247.404 2.076 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H]2C[C@@]21C(=O)OC ZINC000933166094 640672266 /nfs/dbraw/zinc/67/22/66/640672266.db2.gz LGFPISXQDWERFE-HIFRSBDPSA-N 1 0 249.354 2.208 20 30 BEEDRO N#CCCCC[N@@H+]1CCOC[C@@H]1CC1CC1 ZINC000933212286 640680954 /nfs/dbraw/zinc/68/09/54/640680954.db2.gz FQJOUYCECRPAER-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCC1([NH2+]CCC2OCCO2)CCCCC1 ZINC000933265278 640693855 /nfs/dbraw/zinc/69/38/55/640693855.db2.gz WBQBXVZWIQLINM-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCC1([NH2+]CCCOC)CCCCC1 ZINC000933265071 640694225 /nfs/dbraw/zinc/69/42/25/640694225.db2.gz RFSNPKUCKFEPDP-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)CCC)CCCCC1 ZINC000933265782 640694413 /nfs/dbraw/zinc/69/44/13/640694413.db2.gz JADVBMFLRGBQEQ-ZDUSSCGKSA-N 1 0 223.360 2.463 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCCO2)CCCCC1 ZINC000933267151 640694503 /nfs/dbraw/zinc/69/45/03/640694503.db2.gz BOGOJBFXBFKJLZ-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(F)n2)CCC1 ZINC000933294135 640699184 /nfs/dbraw/zinc/69/91/84/640699184.db2.gz GQQLKALSXLZRRT-UHFFFAOYSA-N 1 0 218.275 2.256 20 30 BEEDRO C#CCC1([NH2+]CC2(CC#N)CC2)CCC1 ZINC000933294375 640699654 /nfs/dbraw/zinc/69/96/54/640699654.db2.gz IXXKBMYEGGJWLP-UHFFFAOYSA-N 1 0 202.301 2.216 20 30 BEEDRO C#CCC1([NH2+][C@@H](C)c2nnc(C)s2)CCC1 ZINC000933296999 640700857 /nfs/dbraw/zinc/70/08/57/640700857.db2.gz UUMRVXKLEWECMY-VIFPVBQESA-N 1 0 235.356 2.443 20 30 BEEDRO C#CCC1([NH2+]CCOCC2CCC2)CCC1 ZINC000933295353 640701039 /nfs/dbraw/zinc/70/10/39/640701039.db2.gz SFGNVTQXHPNIGN-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000225600116 640702225 /nfs/dbraw/zinc/70/22/25/640702225.db2.gz FPARRWRNIUDYFV-CHWSQXEVSA-N 1 0 241.400 2.146 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOc2ccccc2[C@@H]1CO ZINC000933385214 640711667 /nfs/dbraw/zinc/71/16/67/640711667.db2.gz ZOBAKHJHHKIGIP-AWEZNQCLSA-N 1 0 247.338 2.381 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000933492228 640722292 /nfs/dbraw/zinc/72/22/92/640722292.db2.gz RYZTYWBVTYULHR-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(Cl)c(C)nn1C ZINC000167559585 640732018 /nfs/dbraw/zinc/73/20/18/640732018.db2.gz KJEIIZIUPFZAGZ-UHFFFAOYSA-N 1 0 213.712 2.048 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000167865077 640757996 /nfs/dbraw/zinc/75/79/96/640757996.db2.gz SEAUJHDBISDMTD-UWVGGRQHSA-N 1 0 203.713 2.286 20 30 BEEDRO C=CCOCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933917159 640789218 /nfs/dbraw/zinc/78/92/18/640789218.db2.gz HEZHPUAZMORDBK-CYBMUJFWSA-N 1 0 241.400 2.407 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933970348 640799474 /nfs/dbraw/zinc/79/94/74/640799474.db2.gz HBLYQDUUUSXUFU-UONOGXRCSA-N 1 0 241.375 2.447 20 30 BEEDRO CCCCCCC[N@H+](C)CCN1CCOCC1 ZINC000158116747 640810760 /nfs/dbraw/zinc/81/07/60/640810760.db2.gz CSGPARFROKERGV-UHFFFAOYSA-N 1 0 242.407 2.221 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000168525771 640811390 /nfs/dbraw/zinc/81/13/90/640811390.db2.gz NGLNQROMBLACSD-UHFFFAOYSA-N 1 0 204.317 2.418 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)c1nncn1C ZINC000059446010 640811738 /nfs/dbraw/zinc/81/17/38/640811738.db2.gz BGEKLVFVDFWCMW-LLVKDONJSA-N 1 0 224.352 2.436 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000169228504 640845980 /nfs/dbraw/zinc/84/59/80/640845980.db2.gz RQGSRKJVWDHSGG-TUAOUCFPSA-N 1 0 236.359 2.329 20 30 BEEDRO OC1CCC(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000227770710 640848311 /nfs/dbraw/zinc/84/83/11/640848311.db2.gz CVQFHUHXXRPYRO-UHFFFAOYSA-N 1 0 243.350 2.179 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](c1ccco1)N(C)C ZINC000602497871 640889409 /nfs/dbraw/zinc/88/94/09/640889409.db2.gz DJMQFMIQQIUZLM-OLZOCXBDSA-N 1 0 249.358 2.412 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccn2)cc1 ZINC000170905588 640936008 /nfs/dbraw/zinc/93/60/08/640936008.db2.gz DJYOSSJWEXEJAI-UHFFFAOYSA-N 1 0 240.310 2.317 20 30 BEEDRO [NH2+]=C(NCCc1ccsc1)Nc1ccccn1 ZINC000170903890 640936414 /nfs/dbraw/zinc/93/64/14/640936414.db2.gz VVUIJIPTVHYLFE-UHFFFAOYSA-N 1 0 246.339 2.112 20 30 BEEDRO C=C[C@H](C)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000229319607 640947286 /nfs/dbraw/zinc/94/72/86/640947286.db2.gz SFVASQGNRLMRCB-JTQLQIEISA-N 1 0 228.336 2.065 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1ccccc1Cl ZINC000229833445 640987368 /nfs/dbraw/zinc/98/73/68/640987368.db2.gz MBQGPBTXESZEDY-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO CCCCCCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000172655276 641095191 /nfs/dbraw/zinc/09/51/91/641095191.db2.gz BUASGNKIVQRRKA-LBPRGKRZSA-N 1 0 226.364 2.297 20 30 BEEDRO CCCCCCC[N@H+](C)CCC(=O)NC ZINC000172654566 641096146 /nfs/dbraw/zinc/09/61/46/641096146.db2.gz CGNNICGZQDNXOX-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH2+]Cc1ccc(C#N)o1 ZINC000934226556 641106919 /nfs/dbraw/zinc/10/69/19/641106919.db2.gz JLZGHHRAXUKLHV-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000934229743 641107779 /nfs/dbraw/zinc/10/77/79/641107779.db2.gz CLQZUVZKPHCIHO-DYEKYZERSA-N 1 0 229.327 2.294 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000934229742 641108443 /nfs/dbraw/zinc/10/84/43/641108443.db2.gz CLQZUVZKPHCIHO-BZPMIXESSA-N 1 0 229.327 2.294 20 30 BEEDRO C[C@@H](Cc1cccnc1)[NH2+]CCCCC#N ZINC000934234391 641111923 /nfs/dbraw/zinc/11/19/23/641111923.db2.gz LXOAQNZLEVKRSG-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000934331868 641126362 /nfs/dbraw/zinc/12/63/62/641126362.db2.gz GBLJBCOKPDEJSB-JTQLQIEISA-N 1 0 208.330 2.194 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCCSCC#N ZINC000934465167 641142334 /nfs/dbraw/zinc/14/23/34/641142334.db2.gz KCWLUIARMDIQBT-NSHDSACASA-N 1 0 210.346 2.284 20 30 BEEDRO C=C(Cl)CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063190232 641143199 /nfs/dbraw/zinc/14/31/99/641143199.db2.gz NJTRVHZMLKZLOP-NWDGAFQWSA-N 1 0 228.767 2.345 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CC(C)(C)O)cc1 ZINC000160608857 641145180 /nfs/dbraw/zinc/14/51/80/641145180.db2.gz HFVRBHXYJVCJRD-LBPRGKRZSA-N 1 0 247.338 2.120 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCn1cc(Cl)cn1 ZINC000934460909 641153154 /nfs/dbraw/zinc/15/31/54/641153154.db2.gz SWDGEEGZYRVIKH-NSHDSACASA-N 1 0 225.723 2.187 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCc1ccccn1 ZINC000934460802 641154933 /nfs/dbraw/zinc/15/49/33/641154933.db2.gz RPRODKWAVKBCDS-CYBMUJFWSA-N 1 0 202.301 2.275 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000934464170 641156901 /nfs/dbraw/zinc/15/69/01/641156901.db2.gz MWKVUMROWKTTLF-ZIAGYGMSSA-N 1 0 217.312 2.370 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1cnc(CC)o1 ZINC000934463735 641157755 /nfs/dbraw/zinc/15/77/55/641157755.db2.gz YPEZARMMUCBESI-JTQLQIEISA-N 1 0 206.289 2.387 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1cccc(C(=O)OC)n1 ZINC000934463604 641158736 /nfs/dbraw/zinc/15/87/36/641158736.db2.gz YVTLCCNKKFPVKG-LBPRGKRZSA-N 1 0 246.310 2.019 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(OC)nc1 ZINC000934466185 641159535 /nfs/dbraw/zinc/15/95/35/641159535.db2.gz PXIQEANKPMZYKJ-GFCCVEGCSA-N 1 0 218.300 2.241 20 30 BEEDRO C=CC[C@@H]1CCN1Cc1nc(-c2ccco2)no1 ZINC000934471877 641165502 /nfs/dbraw/zinc/16/55/02/641165502.db2.gz ORJKYFAMKXXNHS-SNVBAGLBSA-N 1 0 245.282 2.480 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934477929 641169960 /nfs/dbraw/zinc/16/99/60/641169960.db2.gz OYTQBTWTDIHHDL-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@](O)(CC)C(F)(F)F ZINC000934518676 641172948 /nfs/dbraw/zinc/17/29/48/641172948.db2.gz LOYWRIGQYMFHCL-WDEREUQCSA-N 1 0 249.276 2.178 20 30 BEEDRO C=C(C)C[N@@H+](CCCO)Cc1ccc(OC)cc1 ZINC000934502456 641173396 /nfs/dbraw/zinc/17/33/96/641173396.db2.gz RQNNWNBDNBTCMJ-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C#C[C@@H]1CCCCN1Cc1ccc(OC)nc1 ZINC000934512525 641180523 /nfs/dbraw/zinc/18/05/23/641180523.db2.gz PMLCWQQLSJIMSF-CYBMUJFWSA-N 1 0 230.311 2.078 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCCCO1 ZINC000934515809 641183421 /nfs/dbraw/zinc/18/34/21/641183421.db2.gz YKBSTIWLMBSLGF-KGLIPLIRSA-N 1 0 221.344 2.433 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCCCO1 ZINC000934515812 641184535 /nfs/dbraw/zinc/18/45/35/641184535.db2.gz YKBSTIWLMBSLGF-ZIAGYGMSSA-N 1 0 221.344 2.433 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1[nH]c(C)nc1C ZINC000934519006 641187669 /nfs/dbraw/zinc/18/76/69/641187669.db2.gz OZECFIUKJNTTCH-GFCCVEGCSA-N 1 0 217.316 2.014 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCCc2cccnc21 ZINC000231936163 641216271 /nfs/dbraw/zinc/21/62/71/641216271.db2.gz VIBRENHKYQKNHR-ZDUSSCGKSA-N 1 0 246.379 2.415 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000231942409 641219634 /nfs/dbraw/zinc/21/96/34/641219634.db2.gz NQMOFYWBFVCCRO-CYBMUJFWSA-N 1 0 237.368 2.229 20 30 BEEDRO C=CCCC[N@@H+](CC)CC1(C(=O)OC)CC1 ZINC000934645632 641227962 /nfs/dbraw/zinc/22/79/62/641227962.db2.gz VSPNBOBPAWLGFV-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@@H](C)c1nncn1C ZINC000934645645 641227968 /nfs/dbraw/zinc/22/79/68/641227968.db2.gz WOCVLJNHEJBGCG-NSHDSACASA-N 1 0 222.336 2.164 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@@H](CC)C(=O)OC ZINC000934644701 641229540 /nfs/dbraw/zinc/22/95/40/641229540.db2.gz GYDIQCRSGCFUNN-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1ccn(C)c(=O)c1 ZINC000934649254 641235300 /nfs/dbraw/zinc/23/53/00/641235300.db2.gz PJHBQPQKANVICA-UHFFFAOYSA-N 1 0 234.343 2.173 20 30 BEEDRO CSCC(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000934665460 641240271 /nfs/dbraw/zinc/24/02/71/641240271.db2.gz ZSZYVVUJDHHNBV-UHFFFAOYSA-N 1 0 224.329 2.382 20 30 BEEDRO CSCC(C)(C)[NH2+]Cc1nc(C#N)cs1 ZINC000934665050 641240314 /nfs/dbraw/zinc/24/03/14/641240314.db2.gz VNVTYKBPCIDYBN-UHFFFAOYSA-N 1 0 241.385 2.246 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934766291 641262932 /nfs/dbraw/zinc/26/29/32/641262932.db2.gz NXIMQQIKRQCGAG-UTUOFQBUSA-N 1 0 224.373 2.364 20 30 BEEDRO C=CCCC[NH2+]C1(CC(N)=O)CCCCC1 ZINC000934824387 641282208 /nfs/dbraw/zinc/28/22/08/641282208.db2.gz ZYBJYYWAMOCGTC-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000174608508 641309329 /nfs/dbraw/zinc/30/93/29/641309329.db2.gz DXBAFXSUDBVEBK-UHFFFAOYSA-N 1 0 230.311 2.148 20 30 BEEDRO N#CCC1(C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000088249597 641329613 /nfs/dbraw/zinc/32/96/13/641329613.db2.gz OHSDULLTYIRYLI-ZDUSSCGKSA-N 1 0 230.311 2.003 20 30 BEEDRO CO[C@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929502201 641334864 /nfs/dbraw/zinc/33/48/64/641334864.db2.gz GSGADZLOQXNACV-RUXDESIVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2=CCCC2)C1 ZINC001007099888 641379754 /nfs/dbraw/zinc/37/97/54/641379754.db2.gz ZFFKFCDZFQTBTM-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO c1ccc(C[N@@H+]2CCC(N=NC3CC3)C2)cc1 ZINC000758134138 641385869 /nfs/dbraw/zinc/38/58/69/641385869.db2.gz XPUNGUCRJWHHCA-UHFFFAOYSA-N 1 0 229.327 2.000 20 30 BEEDRO CC#CCN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CC#CC ZINC000464488292 641401086 /nfs/dbraw/zinc/40/10/86/641401086.db2.gz SPCXFSHKAGSZCK-HZPDHXFCSA-N 1 0 246.398 2.208 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)Cc1c[nH]cn1 ZINC000913648345 641446759 /nfs/dbraw/zinc/44/67/59/641446759.db2.gz AKFKTLMOLZGZQH-UHFFFAOYSA-N 1 0 235.331 2.061 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000313481063 641564388 /nfs/dbraw/zinc/56/43/88/641564388.db2.gz JQRYVMSZCDEPEO-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000313489918 641566349 /nfs/dbraw/zinc/56/63/49/641566349.db2.gz UNYOEZUAIGFXDS-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152550456 641612823 /nfs/dbraw/zinc/61/28/23/641612823.db2.gz SAOJIXUCIZGQHO-ZJUUUORDSA-N 1 0 248.164 2.130 20 30 BEEDRO CCCCCCC[NH+]1CCN(CCOC)CC1 ZINC000157381839 641618086 /nfs/dbraw/zinc/61/80/86/641618086.db2.gz TWFFEVWSOBJDSV-UHFFFAOYSA-N 1 0 242.407 2.221 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccco2)[C@H]1C ZINC000992984478 641693290 /nfs/dbraw/zinc/69/32/90/641693290.db2.gz RKFQEASRIYPIMH-VXGBXAGGSA-N 1 0 248.326 2.048 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c1 ZINC000914433286 641701286 /nfs/dbraw/zinc/70/12/86/641701286.db2.gz MVCMKXBKKGHGTL-OLZOCXBDSA-N 1 0 248.351 2.134 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000914433288 641702061 /nfs/dbraw/zinc/70/20/61/641702061.db2.gz MVCMKXBKKGHGTL-STQMWFEESA-N 1 0 248.351 2.134 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C[C@@H]1C ZINC000947187536 641706548 /nfs/dbraw/zinc/70/65/48/641706548.db2.gz XHFAHFTVZYEZBG-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(C)C)[C@@H]1C ZINC000993053525 641718388 /nfs/dbraw/zinc/71/83/88/641718388.db2.gz PFURZOMPUUHFCN-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)C(C)(C)CNC(=[NH2+])N1CCSCC1 ZINC000187848364 641729167 /nfs/dbraw/zinc/72/91/67/641729167.db2.gz HVQWJTGUGYYIFM-UHFFFAOYSA-N 1 0 243.420 2.032 20 30 BEEDRO Nc1ccc2c(c1)CCC2=[NH+]NC1CCCC1 ZINC000834953250 641743468 /nfs/dbraw/zinc/74/34/68/641743468.db2.gz CPUYPVLHZNQOPX-UHFFFAOYSA-N 1 0 229.327 2.451 20 30 BEEDRO C[C@H]1OCC[N@H+](CC2CCC(C#N)CC2)[C@H]1C ZINC000929848666 641763576 /nfs/dbraw/zinc/76/35/76/641763576.db2.gz SYPGJXGUJFVMCY-MRFVTOPCSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[C@H](C)CO/[NH+]=C(/N)c1ccc(N(C)C)cc1 ZINC000153352681 641763874 /nfs/dbraw/zinc/76/38/74/641763874.db2.gz HSNIQQMWXQUNFI-NSHDSACASA-N 1 0 249.358 2.436 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000189130456 641788622 /nfs/dbraw/zinc/78/86/22/641788622.db2.gz GBSWLKVVQXWAEE-GHMZBOCLSA-N 1 0 249.362 2.403 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000189139504 641789074 /nfs/dbraw/zinc/78/90/74/641789074.db2.gz YOFZDKVFHAOSDI-DCAQKATOSA-N 1 0 249.362 2.259 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000189130389 641789909 /nfs/dbraw/zinc/78/99/09/641789909.db2.gz GBSWLKVVQXWAEE-QWRGUYRKSA-N 1 0 249.362 2.403 20 30 BEEDRO C#CC[NH+](CC#C)CCCOc1ccc(F)cc1 ZINC000076185705 641797246 /nfs/dbraw/zinc/79/72/46/641797246.db2.gz KSWWNMFGCZWQHE-UHFFFAOYSA-N 1 0 245.297 2.163 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(C2CC2)cc1 ZINC000190471961 641867942 /nfs/dbraw/zinc/86/79/42/641867942.db2.gz AKEZRQFQULGUAI-UHFFFAOYSA-N 1 0 229.327 2.154 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000950028654 641883927 /nfs/dbraw/zinc/88/39/27/641883927.db2.gz RNTLLPKBAAUXNL-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)cc1 ZINC000090774560 641885381 /nfs/dbraw/zinc/88/53/81/641885381.db2.gz SDCZJBKSIWVUPR-TZMCWYRMSA-N 1 0 245.322 2.138 20 30 BEEDRO C(=NNCC[NH+]1CCCCC1)c1cccs1 ZINC000915974472 641891102 /nfs/dbraw/zinc/89/11/02/641891102.db2.gz USCBTNBYDDSWHS-UHFFFAOYSA-N 1 0 237.372 2.158 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC=C(C)C ZINC000191151264 641904159 /nfs/dbraw/zinc/90/41/59/641904159.db2.gz QCUSSOJLHRTSFN-UHFFFAOYSA-N 1 0 211.353 2.437 20 30 BEEDRO Cc1nnc(C)n1[NH+]=C[C@@H]1CC=CCC1 ZINC000916350149 641928217 /nfs/dbraw/zinc/92/82/17/641928217.db2.gz BUEWUGJTTUOLDM-LLVKDONJSA-N 1 0 204.277 2.085 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)[C@@H]1C ZINC000994260769 641940581 /nfs/dbraw/zinc/94/05/81/641940581.db2.gz KBXHDTTWWQGHPZ-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000191776070 641942781 /nfs/dbraw/zinc/94/27/81/641942781.db2.gz HOXDDIKCTRZEQF-STQMWFEESA-N 1 0 229.364 2.038 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723562642 711517837 /nfs/dbraw/zinc/51/78/37/711517837.db2.gz AZQNNXJEHCGVRE-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCCCCCN(C)C[C@@H]1CCC[NH2+]1 ZINC000234285416 642333372 /nfs/dbraw/zinc/33/33/72/642333372.db2.gz MBQHCTXIHGPBBR-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001021815527 642364570 /nfs/dbraw/zinc/36/45/70/642364570.db2.gz NQGGNPQAJIMAQU-MCIONIFRSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[N@@H+](CCOCC(F)(F)F)C(C)C ZINC000919673992 642374043 /nfs/dbraw/zinc/37/40/43/642374043.db2.gz AOYFUDQPIGXHHX-UHFFFAOYSA-N 1 0 225.254 2.462 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CCCC[NH+](C)C ZINC000933213061 642391265 /nfs/dbraw/zinc/39/12/65/642391265.db2.gz DNNKTDHSPQXYTI-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO CC#CCC[N@H+](C)Cc1c(C)noc1C ZINC000155093951 642392736 /nfs/dbraw/zinc/39/27/36/642392736.db2.gz UOSYYVKJBWZETA-UHFFFAOYSA-N 1 0 206.289 2.137 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000847022651 642409031 /nfs/dbraw/zinc/40/90/31/642409031.db2.gz IKZLLNICQUSORZ-LBPRGKRZSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CCC1([NH2+]CCN(C#N)CC)CCCCC1 ZINC000933266598 642439057 /nfs/dbraw/zinc/43/90/57/642439057.db2.gz WIDNNGHYSHWCAY-UHFFFAOYSA-N 1 0 233.359 2.105 20 30 BEEDRO CC[NH+](CC)CCNc1cc(C)cc(C#N)n1 ZINC000891389219 642455296 /nfs/dbraw/zinc/45/52/96/642455296.db2.gz DMUWQSSTFKBFHE-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001021957268 642470411 /nfs/dbraw/zinc/47/04/11/642470411.db2.gz OZZWBVRKBWROOZ-OKILXGFUSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933290736 642480612 /nfs/dbraw/zinc/48/06/12/642480612.db2.gz XKWMTDPLVTZGBE-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000930126804 642483623 /nfs/dbraw/zinc/48/36/23/642483623.db2.gz TTXCFUTVWVEAIS-GXTWGEPZSA-N 1 0 244.338 2.130 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000920417926 642489481 /nfs/dbraw/zinc/48/94/81/642489481.db2.gz QAJHVKULOZTHRE-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO C#CCC1([NH2+][C@H](C)c2snnc2C)CCC1 ZINC000933294609 642494550 /nfs/dbraw/zinc/49/45/50/642494550.db2.gz RPCWXEMNOQOZBA-SECBINFHSA-N 1 0 235.356 2.443 20 30 BEEDRO C#CCC1([NH2+]CCC2(OC)CCC2)CCC1 ZINC000933296343 642500333 /nfs/dbraw/zinc/50/03/33/642500333.db2.gz DYIXJHYIYFQIGZ-UHFFFAOYSA-N 1 0 221.344 2.481 20 30 BEEDRO C#CCC1([NH2+]CC[C@@H]2CCCO2)CCC1 ZINC000933296138 642502516 /nfs/dbraw/zinc/50/25/16/642502516.db2.gz CXXUMMZGEXSHMD-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CC[C@H](C)O2)CCC1 ZINC000933296696 642504056 /nfs/dbraw/zinc/50/40/56/642504056.db2.gz LCPVEBOGCSNHIR-NWDGAFQWSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCC1([NH2+]C[C@H](O)CC2CCCC2)CCC1 ZINC000933296638 642504655 /nfs/dbraw/zinc/50/46/55/642504655.db2.gz KILFLMMYZYCCQO-CQSZACIVSA-N 1 0 235.371 2.463 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000921486636 642626158 /nfs/dbraw/zinc/62/61/58/642626158.db2.gz QFNWIDQUDDHLCT-LBPRGKRZSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC[NH2+]Cc1nccc2c1CCCC2 ZINC000921475172 642633587 /nfs/dbraw/zinc/63/35/87/642633587.db2.gz RYAIQRKWHVYQGS-UHFFFAOYSA-N 1 0 202.301 2.236 20 30 BEEDRO CC(C)CCC[C@H](C)NC(=[NH2+])NCCCF ZINC000305182523 642644854 /nfs/dbraw/zinc/64/48/54/642644854.db2.gz WNEQQNCMTXYPFS-NSHDSACASA-N 1 0 231.359 2.465 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCSCC(C)C ZINC000305330309 642655618 /nfs/dbraw/zinc/65/56/18/642655618.db2.gz ZNOZWKVFTUMFNL-UHFFFAOYSA-N 1 0 243.420 2.246 20 30 BEEDRO CCCCCCCCNC(=[NH2+])N[C@H](CC)CO ZINC000305756068 642686655 /nfs/dbraw/zinc/68/66/55/642686655.db2.gz AUBUBPHICWKKNE-GFCCVEGCSA-N 1 0 243.395 2.022 20 30 BEEDRO C=C(Cl)C[N@H+](CCCC)CCCO ZINC000305760283 642691746 /nfs/dbraw/zinc/69/17/46/642691746.db2.gz DIKGZGLJRWAIBD-UHFFFAOYSA-N 1 0 205.729 2.223 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCC1(C)CCC1 ZINC000175671602 642710981 /nfs/dbraw/zinc/71/09/81/642710981.db2.gz IWHUXUWNLQIIIW-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000130791585 642733012 /nfs/dbraw/zinc/73/30/12/642733012.db2.gz YVMUVAYKQXPFTA-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCCC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000179989941 642762351 /nfs/dbraw/zinc/76/23/51/642762351.db2.gz QUUXMZDWDMUBJD-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)C(C)C)C1 ZINC000965271782 642766253 /nfs/dbraw/zinc/76/62/53/642766253.db2.gz VXTHBWCZOPGBBM-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](C)[C@H](NC(=O)C(C)C)C1 ZINC000965097370 642768490 /nfs/dbraw/zinc/76/84/90/642768490.db2.gz FMHARUIHZBZJLX-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 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C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001015526444 642904228 /nfs/dbraw/zinc/90/42/28/642904228.db2.gz FSWNADKUFBNENQ-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000181832537 642909473 /nfs/dbraw/zinc/90/94/73/642909473.db2.gz MZJBFXGRUUNBQA-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCC=CCC2)C1 ZINC001016279576 642952686 /nfs/dbraw/zinc/95/26/86/642952686.db2.gz ANSKGKYPGNSPFB-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182424562 643017357 /nfs/dbraw/zinc/01/73/57/643017357.db2.gz DUPJCIWIEKETGL-NSHDSACASA-N 1 0 233.311 2.465 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001019458972 643033691 /nfs/dbraw/zinc/03/36/91/643033691.db2.gz UCQAFWOQJWHDDI-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC=CCC2)C1 ZINC001019979518 643050455 /nfs/dbraw/zinc/05/04/55/643050455.db2.gz RPXVHENVNVMOAP-IHRRRGAJSA-N 1 0 248.370 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2occc2C)C1 ZINC001019988437 643050495 /nfs/dbraw/zinc/05/04/95/643050495.db2.gz FBALORNTVBVYFW-HAQNSBGRSA-N 1 0 248.326 2.015 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H](C)C1 ZINC000941835033 643146278 /nfs/dbraw/zinc/14/62/78/643146278.db2.gz WBQREKBMPWFQDT-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253097610 643164009 /nfs/dbraw/zinc/16/40/09/643164009.db2.gz RVIWNWYQKHJLTO-RRFJBIMHSA-N 1 0 235.371 2.415 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC1(C)OCCO1)C1CC1 ZINC000183901652 643178982 /nfs/dbraw/zinc/17/89/82/643178982.db2.gz QTSMCFRZPFLJLD-CYBMUJFWSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C(Cl)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000306592187 643188414 /nfs/dbraw/zinc/18/84/14/643188414.db2.gz WFPZTPXRHWPUEI-MIMYLULJSA-N 1 0 216.756 2.044 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932382567 643193185 /nfs/dbraw/zinc/19/31/85/643193185.db2.gz ABRYMMDLPRGJRW-SMDDNHRTSA-N 1 0 245.326 2.051 20 30 BEEDRO C=CCOCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932386192 643199485 /nfs/dbraw/zinc/19/94/85/643199485.db2.gz PDNXXVMCVMWROK-AWEZNQCLSA-N 1 0 232.327 2.325 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2CCC(=C)CC2)C1 ZINC000969830353 643225108 /nfs/dbraw/zinc/22/51/08/643225108.db2.gz JJCAYZNNKQADSQ-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC[N@H+](Cc1ccc2nonc2c1)C(C)(C)C ZINC000932462397 643267171 /nfs/dbraw/zinc/26/71/71/643267171.db2.gz XYZDDBKYDDMOEZ-UHFFFAOYSA-N 1 0 243.310 2.457 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnn2CC(C)C)CC1 ZINC000843426761 643364540 /nfs/dbraw/zinc/36/45/40/643364540.db2.gz JWASQYSDTIIMDN-UHFFFAOYSA-N 1 0 245.370 2.384 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032245912 643397225 /nfs/dbraw/zinc/39/72/25/643397225.db2.gz ZYKJJCOKALKUOX-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](COCC)C1 ZINC000073166709 643404471 /nfs/dbraw/zinc/40/44/71/643404471.db2.gz 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FDJDFFMAHSPIDR-PSASIEDQSA-N 1 0 206.314 2.365 20 30 BEEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CCCO1 ZINC000921527480 643588379 /nfs/dbraw/zinc/58/83/79/643588379.db2.gz NTYKAGVWBBWGSU-JOYOIKCWSA-N 1 0 236.340 2.277 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)CC1(O)CCCCC1 ZINC000083585953 643589247 /nfs/dbraw/zinc/58/92/47/643589247.db2.gz RMWZWLKUHBVKNG-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)CC1(O)CCCCC1 ZINC000083585950 643589583 /nfs/dbraw/zinc/58/95/83/643589583.db2.gz RMWZWLKUHBVKNG-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@@H]2CCCCO2)cs1 ZINC000921595971 643617775 /nfs/dbraw/zinc/61/77/75/643617775.db2.gz KNQDYBGVLWDCQS-NSHDSACASA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CCC[NH2+]C1 ZINC000050163940 643620892 /nfs/dbraw/zinc/62/08/92/643620892.db2.gz JZNCQPBBAYUPAY-MNOVXSKESA-N 1 0 247.317 2.497 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000921624417 643632371 /nfs/dbraw/zinc/63/23/71/643632371.db2.gz 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ZINC000922282312 643949581 /nfs/dbraw/zinc/94/95/81/643949581.db2.gz GGMISOCIWVTGKM-UHFFFAOYSA-N 1 0 220.316 2.479 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CC1CC(O)C1 ZINC000922294675 643959711 /nfs/dbraw/zinc/95/97/11/643959711.db2.gz SQJVNYCTGQSINT-UHFFFAOYSA-N 1 0 244.338 2.036 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1csc(C#N)c1 ZINC000922319851 643970282 /nfs/dbraw/zinc/97/02/82/643970282.db2.gz JOYGLTCNXAOEHM-MWLCHTKSSA-N 1 0 238.356 2.259 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)C1CCC1 ZINC000320920872 643978548 /nfs/dbraw/zinc/97/85/48/643978548.db2.gz CRNWNXCZGQXCGW-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cs1 ZINC000922515263 644011818 /nfs/dbraw/zinc/01/18/18/644011818.db2.gz NMLPXSJDZNLPQZ-OLZOCXBDSA-N 1 0 248.351 2.277 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCC2CC=CC2)nn1 ZINC000922735635 644078205 /nfs/dbraw/zinc/07/82/05/644078205.db2.gz SKYAWZSEPMIPIZ-UHFFFAOYSA-N 1 0 246.358 2.300 20 30 BEEDRO CCC[C@H](O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000922817780 644107013 /nfs/dbraw/zinc/10/70/13/644107013.db2.gz AELFCHFJHCBRMW-NSHDSACASA-N 1 0 238.356 2.260 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CCC(C)(C)SC ZINC000321413619 644129290 /nfs/dbraw/zinc/12/92/90/644129290.db2.gz JMWIFDYWCPSRJP-NSHDSACASA-N 1 0 231.405 2.435 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CSC(C)(C)C ZINC000186697136 644137698 /nfs/dbraw/zinc/13/76/98/644137698.db2.gz YWEWKZVKDMMNGN-QWRGUYRKSA-N 1 0 231.405 2.433 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000186706717 644138591 /nfs/dbraw/zinc/13/85/91/644138591.db2.gz WXLKQLZFQDMYMI-NEPJUHHUSA-N 1 0 235.327 2.288 20 30 BEEDRO COC1(CNC(=[NH2+])NC(C)(C)C)CCCCC1 ZINC000187040163 644188954 /nfs/dbraw/zinc/18/89/54/644188954.db2.gz BFTRSBAOTJHPLI-UHFFFAOYSA-N 1 0 241.379 2.039 20 30 BEEDRO COC[C@H](C[NH2+]Cc1ccc(C#N)o1)C(C)C ZINC000922949827 644199328 /nfs/dbraw/zinc/19/93/28/644199328.db2.gz UDCFSZQVNOSGMG-NSHDSACASA-N 1 0 236.315 2.159 20 30 BEEDRO C#CCC1([NH2+]Cc2cnn(C)c2)CCCCC1 ZINC000922982618 644209017 /nfs/dbraw/zinc/20/90/17/644209017.db2.gz BZTSGQDNNXDPLQ-UHFFFAOYSA-N 1 0 231.343 2.236 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCOC2)CCCCC1 ZINC000922981272 644214566 /nfs/dbraw/zinc/21/45/66/644214566.db2.gz KWIRGZSGTZYCIR-CYBMUJFWSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1([NH2+]Cc2nccn2C(F)F)CCC1 ZINC000922997816 644222050 /nfs/dbraw/zinc/22/20/50/644222050.db2.gz MOQPBJBWROIQSQ-UHFFFAOYSA-N 1 0 239.269 2.314 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCO[C@@H](C)C2)CCC1 ZINC000922997510 644222181 /nfs/dbraw/zinc/22/21/81/644222181.db2.gz JLKCMOXYEZBZFX-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC1([NH2+]Cc2cncc(OC)c2)CCC1 ZINC000922997709 644222398 /nfs/dbraw/zinc/22/23/98/644222398.db2.gz BLHOWIXILFPYFO-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000923007421 644226256 /nfs/dbraw/zinc/22/62/56/644226256.db2.gz HXWIYEZMPYQEPS-HDJSIYSDSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923006493 644226276 /nfs/dbraw/zinc/22/62/76/644226276.db2.gz ABQHYEFMLXAPBK-HDJSIYSDSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)C1 ZINC000923005598 644232079 /nfs/dbraw/zinc/23/20/79/644232079.db2.gz YRSDYEKZWHXMNL-RVMXOQNASA-N 1 0 209.333 2.092 20 30 BEEDRO CSC1(CNC(=[NH2+])NCCC(C)C)CCC1 ZINC000193299739 644232828 /nfs/dbraw/zinc/23/28/28/644232828.db2.gz ZBGIBFBPDYSFMF-UHFFFAOYSA-N 1 0 243.420 2.223 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1cc(C#N)ccc1F ZINC000081713477 644340636 /nfs/dbraw/zinc/34/06/36/644340636.db2.gz KXKORHPCXKEGRE-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO C=CC[C@@H](C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529946 644486461 /nfs/dbraw/zinc/48/64/61/644486461.db2.gz FNJBSUYRTRKCEF-CHWSQXEVSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[C@H](C)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923529948 644486996 /nfs/dbraw/zinc/48/69/96/644486996.db2.gz FNJBSUYRTRKCEF-QWHCGFSZSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[C@@H](C)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923529947 644487635 /nfs/dbraw/zinc/48/76/35/644487635.db2.gz FNJBSUYRTRKCEF-OLZOCXBDSA-N 1 0 208.349 2.169 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC)C[C@@H]1C ZINC000946936630 644528104 /nfs/dbraw/zinc/52/81/04/644528104.db2.gz JXMHKNSBJRUONY-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089092330 644534297 /nfs/dbraw/zinc/53/42/97/644534297.db2.gz HHRNBOQMNHMEBZ-BXKDBHETSA-N 1 0 233.290 2.237 20 30 BEEDRO C#CC[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(CC)CC ZINC000245890117 644550256 /nfs/dbraw/zinc/55/02/56/644550256.db2.gz MBWMYUQIISISLS-IJLUTSLNSA-N 1 0 209.333 2.049 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1CC ZINC000740878406 644563875 /nfs/dbraw/zinc/56/38/75/644563875.db2.gz DNAIIRJRJKSSNF-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC ZINC001017298935 644631201 /nfs/dbraw/zinc/63/12/01/644631201.db2.gz QMEZMAFYSJTDQX-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(C#N)cc2)C[N@@H+]1C ZINC000761806145 644649783 /nfs/dbraw/zinc/64/97/83/644649783.db2.gz SSEWDRRQCOWXPG-SNVBAGLBSA-N 1 0 228.299 2.050 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000766234460 644663729 /nfs/dbraw/zinc/66/37/29/644663729.db2.gz VTCHBDVZRGLLRJ-CYBMUJFWSA-N 1 0 233.359 2.491 20 30 BEEDRO C#CCC[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781983962 644737637 /nfs/dbraw/zinc/73/76/37/644737637.db2.gz HZHHSWSMRNXHQZ-SNVBAGLBSA-N 1 0 235.249 2.053 20 30 BEEDRO C[C@H]1CN(c2cc(Cl)ccc2C#N)CC[C@H]1[NH3+] ZINC000251921870 644830578 /nfs/dbraw/zinc/83/05/78/644830578.db2.gz YAMGJEGUUNNRQC-JOYOIKCWSA-N 1 0 249.745 2.385 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000303548838 644830650 /nfs/dbraw/zinc/83/06/50/644830650.db2.gz DILSJHIHPZGTFV-UHFFFAOYSA-N 1 0 241.718 2.338 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCCc2ccccc2)C1 ZINC000303718491 644840008 /nfs/dbraw/zinc/84/00/08/644840008.db2.gz VBHNMFRFYQLLPO-ZDUSSCGKSA-N 1 0 245.370 2.276 20 30 BEEDRO COc1cccc(NC(=[NH2+])NCc2ccco2)c1 ZINC000303724554 644842432 /nfs/dbraw/zinc/84/24/32/644842432.db2.gz ZUZYDPSAWXQKAR-UHFFFAOYSA-N 1 0 245.282 2.215 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccc(F)cc2)C1 ZINC000303721246 644842491 /nfs/dbraw/zinc/84/24/91/644842491.db2.gz XKHKBGLODARTFG-LLVKDONJSA-N 1 0 249.333 2.372 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NCC2CCC2)ccc1F ZINC000303776251 644844532 /nfs/dbraw/zinc/84/45/32/644844532.db2.gz HTPAARBGQOOUCL-UHFFFAOYSA-N 1 0 249.333 2.339 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+]CC1CC1 ZINC000303774259 644844801 /nfs/dbraw/zinc/84/48/01/644844801.db2.gz FUQWNPKXZBCURU-UHFFFAOYSA-N 1 0 231.343 2.104 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000303774875 644844885 /nfs/dbraw/zinc/84/48/85/644844885.db2.gz GGUMZVNGMFKTOQ-OLZOCXBDSA-N 1 0 231.343 2.199 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000801924066 644845003 /nfs/dbraw/zinc/84/50/03/644845003.db2.gz QHLXFXJUKCEBLP-OLZOCXBDSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000801924069 644845486 /nfs/dbraw/zinc/84/54/86/644845486.db2.gz QHLXFXJUKCEBLP-STQMWFEESA-N 1 0 244.338 2.362 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NCC2CC2)cc1 ZINC000303779886 644846805 /nfs/dbraw/zinc/84/68/05/644846805.db2.gz KXYULFUSUHQPRD-UHFFFAOYSA-N 1 0 217.316 2.386 20 30 BEEDRO CC(C)CCNC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000303792689 644847814 /nfs/dbraw/zinc/84/78/14/644847814.db2.gz YQGGPELEHSNWRT-UONOGXRCSA-N 1 0 245.370 2.493 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCc1ncn(C)n1)C1CC1 ZINC000647326633 644849307 /nfs/dbraw/zinc/84/93/07/644849307.db2.gz IXSXWTVRMXCOCU-CYBMUJFWSA-N 1 0 248.374 2.082 20 30 BEEDRO CC(C)CCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303878939 644852787 /nfs/dbraw/zinc/85/27/87/644852787.db2.gz GFGIZROPUJCGPL-GFCCVEGCSA-N 1 0 225.380 2.469 20 30 BEEDRO [NH2+]=C(NC[C@@H]1Cc2ccccc21)N1CCCCC1 ZINC000303905508 644856217 /nfs/dbraw/zinc/85/62/17/644856217.db2.gz ZLSHOWYEZWKLKO-ZDUSSCGKSA-N 1 0 243.354 2.127 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1F ZINC000303970133 644861775 /nfs/dbraw/zinc/86/17/75/644861775.db2.gz CGUADOLAOIXAOL-WCQYABFASA-N 1 0 249.333 2.338 20 30 BEEDRO Cc1csc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)n1 ZINC000304237563 644879093 /nfs/dbraw/zinc/87/90/93/644879093.db2.gz MVNSLBXYKUQPQS-VHSXEESVSA-N 1 0 239.344 2.031 20 30 BEEDRO CC(C)C1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000304251708 644882862 /nfs/dbraw/zinc/88/28/62/644882862.db2.gz RCQZBGCVAKUHPG-GFCCVEGCSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)CC1CCCCC1 ZINC000304263509 644884104 /nfs/dbraw/zinc/88/41/04/644884104.db2.gz UINXESBYGWXODV-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO N#CC[C@@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000809573539 644892250 /nfs/dbraw/zinc/89/22/50/644892250.db2.gz PLCNIHFIDLMUMV-CQSZACIVSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccco1 ZINC000809575348 644892846 /nfs/dbraw/zinc/89/28/46/644892846.db2.gz ZLYVQSZQTMXMGJ-OLZOCXBDSA-N 1 0 248.326 2.471 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccco1 ZINC000809575347 644894489 /nfs/dbraw/zinc/89/44/89/644894489.db2.gz ZLYVQSZQTMXMGJ-CHWSQXEVSA-N 1 0 248.326 2.471 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+]CCC1CC1 ZINC000304517223 644912082 /nfs/dbraw/zinc/91/20/82/644912082.db2.gz WAOGKQXFDHZRJA-UHFFFAOYSA-N 1 0 245.370 2.494 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](C)Sc1ccccc1 ZINC000304702621 644926608 /nfs/dbraw/zinc/92/66/08/644926608.db2.gz MGXQMJWUCKPSEB-JTQLQIEISA-N 1 0 237.372 2.091 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1ccc(CC)cc1 ZINC000304751474 644929862 /nfs/dbraw/zinc/92/98/62/644929862.db2.gz JIGFEAYXUPCRMH-UHFFFAOYSA-N 1 0 245.370 2.272 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(C)CCC2)C1 ZINC000304798946 644933340 /nfs/dbraw/zinc/93/33/40/644933340.db2.gz NWVZUDRLVWPCLN-NSHDSACASA-N 1 0 223.364 2.223 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304805725 644935146 /nfs/dbraw/zinc/93/51/46/644935146.db2.gz RMBPBSJFPBEDQX-GFCCVEGCSA-N 1 0 233.359 2.413 20 30 BEEDRO CCOC(=O)CC(C)(C)C[NH2+][C@H](CC)CC#N ZINC000813337468 644939899 /nfs/dbraw/zinc/93/98/99/644939899.db2.gz PHYVXTATUFGXAL-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO C[NH+]=C(NCC(C)(C)SC)NC(C)(C)C ZINC000304952601 644940611 /nfs/dbraw/zinc/94/06/11/644940611.db2.gz IUHZEGZYEDUGKY-UHFFFAOYSA-N 1 0 231.409 2.092 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)C[NH2+]CC ZINC000818433682 644997579 /nfs/dbraw/zinc/99/75/79/644997579.db2.gz ITEDWZKSTIUVSR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H]2CC)cc1 ZINC000824636818 645056992 /nfs/dbraw/zinc/05/69/92/645056992.db2.gz TZLCLRMKUWLJCN-CVEARBPZSA-N 1 0 243.350 2.261 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](Cc2ccccc2O)C1 ZINC000827651051 645083127 /nfs/dbraw/zinc/08/31/27/645083127.db2.gz YZBFQZMWYHOAKD-CYBMUJFWSA-N 1 0 216.284 2.128 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccoc1C ZINC000827827841 645085101 /nfs/dbraw/zinc/08/51/01/645085101.db2.gz ZLVIISUXCREEJH-UHFFFAOYSA-N 1 0 221.300 2.060 20 30 BEEDRO CCC(CC)CN(CCC#N)CC[S@@](C)=O ZINC000827968756 645089950 /nfs/dbraw/zinc/08/99/50/645089950.db2.gz KEKQFESEEUWQBM-MRXNPFEDSA-N 1 0 244.404 2.017 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)c2nnc(CC)o2)C1 ZINC000829784296 645111461 /nfs/dbraw/zinc/11/14/61/645111461.db2.gz IJTJGOTXHSZUCY-NWDGAFQWSA-N 1 0 247.342 2.428 20 30 BEEDRO CCCCCCC[N@H+](C)C(C)(C)C(N)=O ZINC000830298111 645118642 /nfs/dbraw/zinc/11/86/42/645118642.db2.gz SMLNSNMACJISGZ-UHFFFAOYSA-N 1 0 214.353 2.153 20 30 BEEDRO C#CC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000830345583 645120542 /nfs/dbraw/zinc/12/05/42/645120542.db2.gz JGNCUIFITXSMKE-UHFFFAOYSA-N 1 0 218.300 2.137 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000830345552 645120581 /nfs/dbraw/zinc/12/05/81/645120581.db2.gz IAKLEKBKDXNZMN-OAHLLOKOSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000830345560 645120597 /nfs/dbraw/zinc/12/05/97/645120597.db2.gz IIVPLOMLKOIHEA-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC1CC[NH+](CCC2CCOCC2)CC1 ZINC000830352041 645121941 /nfs/dbraw/zinc/12/19/41/645121941.db2.gz ZFDDLRCOPUCSDR-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO Nc1ccc2c(c1)CCC2=[NH+]N[C@H]1CCSC1 ZINC000834978675 645153671 /nfs/dbraw/zinc/15/36/71/645153671.db2.gz BIRZGKSVRKJMSB-NSHDSACASA-N 1 0 247.367 2.014 20 30 BEEDRO C#CCN=NC1CCCC[C@@H]1[NH+]1CCCCCC1 ZINC000835008353 645162170 /nfs/dbraw/zinc/16/21/70/645162170.db2.gz YVOBCIRRPVMCQA-HNNXBMFYSA-N 1 0 247.386 2.384 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)C1CCC1 ZINC000836829868 645177998 /nfs/dbraw/zinc/17/79/98/645177998.db2.gz PPBDGUHPPZTMOL-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCCCCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000841863653 645232295 /nfs/dbraw/zinc/23/22/95/645232295.db2.gz DZGMNBDNFLGAAS-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000841864901 645235046 /nfs/dbraw/zinc/23/50/46/645235046.db2.gz UOGSOFBACZZGLM-LBPRGKRZSA-N 1 0 243.395 2.336 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926523421 645251235 /nfs/dbraw/zinc/25/12/35/645251235.db2.gz YANIYCVPKBXEJQ-GFCCVEGCSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cc(OC)no1 ZINC000926521896 645252402 /nfs/dbraw/zinc/25/24/02/645252402.db2.gz UQTBSOBSDYGJAE-SECBINFHSA-N 1 0 210.277 2.300 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cc(OC)no1 ZINC000926551202 645272963 /nfs/dbraw/zinc/27/29/63/645272963.db2.gz PXFZFAOCRXXJJF-VIFPVBQESA-N 1 0 210.277 2.300 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2[C@H](C)COC[C@H]2C)c1 ZINC000926551416 645274441 /nfs/dbraw/zinc/27/44/41/645274441.db2.gz SUIYRAYDECURBJ-CHWSQXEVSA-N 1 0 243.350 2.429 20 30 BEEDRO Cc1cnc(CC[NH2+][C@@H](C)CC(C)(C)C#N)cn1 ZINC000926558282 645278726 /nfs/dbraw/zinc/27/87/26/645278726.db2.gz GZIKAQHUMNNPIJ-NSHDSACASA-N 1 0 246.358 2.246 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1(Cl)CC1 ZINC000926611876 645314786 /nfs/dbraw/zinc/31/47/86/645314786.db2.gz SJKYRLJTAUNZRM-DCAQKATOSA-N 1 0 229.751 2.327 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926616078 645315919 /nfs/dbraw/zinc/31/59/19/645315919.db2.gz RITIDMAICOAGAT-SGMGOOAPSA-N 1 0 229.327 2.294 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CCC1 ZINC000926623125 645317756 /nfs/dbraw/zinc/31/77/56/645317756.db2.gz AURCNSNKXLNLPK-ZIAGYGMSSA-N 1 0 248.370 2.475 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)C1(Cl)CC1 ZINC000926626944 645319854 /nfs/dbraw/zinc/31/98/54/645319854.db2.gz MFBTUXHZEIBNPK-SECBINFHSA-N 1 0 212.724 2.430 20 30 BEEDRO C=C(Cl)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000844419635 645328845 /nfs/dbraw/zinc/32/88/45/645328845.db2.gz OICGNOIKWYGTSD-VIFPVBQESA-N 1 0 217.740 2.079 20 30 BEEDRO C#CC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000844426594 645328955 /nfs/dbraw/zinc/32/89/55/645328955.db2.gz WCQOPUIYMSLPTP-LBPRGKRZSA-N 1 0 237.343 2.206 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000926686312 645355997 /nfs/dbraw/zinc/35/59/97/645355997.db2.gz UEVUNAYKQLCALG-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926712385 645375613 /nfs/dbraw/zinc/37/56/13/645375613.db2.gz MMAWKWJHVNFGRT-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926745219 645399345 /nfs/dbraw/zinc/39/93/45/645399345.db2.gz FXOGTGLUCCLOKD-MNOVXSKESA-N 1 0 234.347 2.476 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926745217 645400079 /nfs/dbraw/zinc/40/00/79/645400079.db2.gz FXOGTGLUCCLOKD-GHMZBOCLSA-N 1 0 234.347 2.476 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2scnc2C)C1 ZINC000847017307 645413611 /nfs/dbraw/zinc/41/36/11/645413611.db2.gz BPXBDEUSXBVOTL-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN(C)CC(F)F ZINC000926776124 645422723 /nfs/dbraw/zinc/42/27/23/645422723.db2.gz OKIFGHZGIFHIJG-SNVBAGLBSA-N 1 0 247.333 2.101 20 30 BEEDRO N#CCCN1CC[NH+](C2CC3(C2)CCCC3)CC1 ZINC000926808056 645439016 /nfs/dbraw/zinc/43/90/16/645439016.db2.gz NIJFTTJHPVOGBW-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2cn(C)cn2)CC1 ZINC000926838316 645450036 /nfs/dbraw/zinc/45/00/36/645450036.db2.gz CFNKEXIUKDLDII-AVGNSLFASA-N 1 0 231.343 2.263 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccns1 ZINC000926862121 645460920 /nfs/dbraw/zinc/46/09/20/645460920.db2.gz DZJIFAJLEHFCNR-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000926864695 645463045 /nfs/dbraw/zinc/46/30/45/645463045.db2.gz COQITLXBCMTSEV-UONOGXRCSA-N 1 0 247.386 2.002 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000926865669 645464146 /nfs/dbraw/zinc/46/41/46/645464146.db2.gz SGXFBZQFTAQXFV-PQAZSJQKSA-N 1 0 223.360 2.482 20 30 BEEDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CC(C)(C)C#N ZINC000926874643 645467898 /nfs/dbraw/zinc/46/78/98/645467898.db2.gz SCYURZKAJSCAFV-WCQYABFASA-N 1 0 226.364 2.455 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926875148 645468177 /nfs/dbraw/zinc/46/81/77/645468177.db2.gz WBTJLTGELDXXGA-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCOC23CCCCC3)CC1 ZINC000926874033 645468918 /nfs/dbraw/zinc/46/89/18/645468918.db2.gz MEXJXWIFXDBBNV-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO C#CC1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000852205078 645471549 /nfs/dbraw/zinc/47/15/49/645471549.db2.gz ICRXXNJNHNSRQR-GJZGRUSLSA-N 1 0 248.414 2.310 20 30 BEEDRO CO[C@H]1CC[C@@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000852216019 645475768 /nfs/dbraw/zinc/47/57/68/645475768.db2.gz XXLJDFLJNAEEKP-KGLIPLIRSA-N 1 0 242.322 2.441 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCc1cc(C)n(C)n1 ZINC000926912971 645486160 /nfs/dbraw/zinc/48/61/60/645486160.db2.gz ZULXNVWRPLXUFC-NSHDSACASA-N 1 0 221.348 2.215 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000926946427 645494215 /nfs/dbraw/zinc/49/42/15/645494215.db2.gz NWUXZIYYFCXDDC-RFGFWPKPSA-N 1 0 239.359 2.125 20 30 BEEDRO C#C[C@@](C)(CC)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000854700516 645509615 /nfs/dbraw/zinc/50/96/15/645509615.db2.gz UJWLIKTYJOTDPE-RISCZKNCSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1CC2(C1)OCCO2 ZINC000927004273 645510530 /nfs/dbraw/zinc/51/05/30/645510530.db2.gz HQBLIYMWBLUYPR-ZDUSSCGKSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1C(=O)OC ZINC000930244885 645520669 /nfs/dbraw/zinc/52/06/69/645520669.db2.gz PMZZTPOFUWBCOM-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000927025720 645527131 /nfs/dbraw/zinc/52/71/31/645527131.db2.gz YNHZNUIZZJKEIP-WCQYABFASA-N 1 0 247.342 2.155 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC000927122734 645559099 /nfs/dbraw/zinc/55/90/99/645559099.db2.gz RBOUIAUPUIBOQA-RNJOBUHISA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927154582 645578508 /nfs/dbraw/zinc/57/85/08/645578508.db2.gz ZLCNTNJYZPRGPQ-NEPJUHHUSA-N 1 0 248.374 2.007 20 30 BEEDRO C[C@H]([NH2+]CCNc1ccc(C#N)cn1)C1CCC1 ZINC000927165329 645580262 /nfs/dbraw/zinc/58/02/62/645580262.db2.gz PLNJQODSFJOZPF-NSHDSACASA-N 1 0 244.342 2.143 20 30 BEEDRO CC[C@H]([NH2+]CCNc1ccc(C#N)cn1)C1CC1 ZINC000927164160 645580530 /nfs/dbraw/zinc/58/05/30/645580530.db2.gz IFHLNAVQTMBOGH-ZDUSSCGKSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927162851 645580977 /nfs/dbraw/zinc/58/09/77/645580977.db2.gz BDFRQCHSVAUERU-AAEUAGOBSA-N 1 0 244.342 2.143 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000862447397 645697007 /nfs/dbraw/zinc/69/70/07/645697007.db2.gz MJUMHLLSOIICNK-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCCO2)CC1 ZINC000872138952 645765366 /nfs/dbraw/zinc/76/53/66/645765366.db2.gz CAHPBLUTKQGLJR-XDQVBPFNSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)cccc1O)C1CC1 ZINC000877371895 645792758 /nfs/dbraw/zinc/79/27/58/645792758.db2.gz PRPTVFLGHOEIJY-UHFFFAOYSA-N 1 0 215.296 2.298 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CC1(F)F ZINC000877459800 645797164 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646250453 /nfs/dbraw/zinc/25/04/53/646250453.db2.gz FKPQWZBOPZLZNQ-SECBINFHSA-N 1 0 242.344 2.253 20 30 BEEDRO C=CCSCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925351989 646252230 /nfs/dbraw/zinc/25/22/30/646252230.db2.gz MXGGPESQCULQGW-GHMZBOCLSA-N 1 0 229.389 2.166 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nn(CC)nc1C ZINC000925426305 646275329 /nfs/dbraw/zinc/27/53/29/646275329.db2.gz MYEIHBQAMAEPRU-NXEZZACHSA-N 1 0 222.336 2.222 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925430571 646280338 /nfs/dbraw/zinc/28/03/38/646280338.db2.gz MPJMOLRMDSVBFD-ZFDZMSFRSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925436935 646282931 /nfs/dbraw/zinc/28/29/31/646282931.db2.gz IMKPNRZSODZBOL-NWDGAFQWSA-N 1 0 228.767 2.345 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](CCO)C1CC1 ZINC000925462346 646287789 /nfs/dbraw/zinc/28/77/89/646287789.db2.gz VJEJCQFEDFYHKZ-PWSUYJOCSA-N 1 0 224.348 2.065 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000929788125 646302347 /nfs/dbraw/zinc/30/23/47/646302347.db2.gz PDJROGKETYAJTF-ZJUUUORDSA-N 1 0 235.249 2.051 20 30 BEEDRO CCC(CC)[N@H+](CC(C)C)C[C@H](O)CC#N ZINC000929784944 646311530 /nfs/dbraw/zinc/31/15/30/646311530.db2.gz HLQLBTBDKVLKHD-CYBMUJFWSA-N 1 0 226.364 2.408 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](C)C(=O)c1ccc(O)cc1 ZINC000929789712 646316626 /nfs/dbraw/zinc/31/66/26/646316626.db2.gz XZENKXJNOHJVHV-GFCCVEGCSA-N 1 0 245.322 2.166 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000925526729 646317026 /nfs/dbraw/zinc/31/70/26/646317026.db2.gz KVZGQWCNSDRYPR-HUUCEWRRSA-N 1 0 234.387 2.396 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000925526730 646317192 /nfs/dbraw/zinc/31/71/92/646317192.db2.gz KVZGQWCNSDRYPR-LSDHHAIUSA-N 1 0 234.387 2.396 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925532649 646319997 /nfs/dbraw/zinc/31/99/97/646319997.db2.gz UBUNVHYYJOXREI-KBPBESRZSA-N 1 0 241.375 2.230 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723638505 711529151 /nfs/dbraw/zinc/52/91/51/711529151.db2.gz NYTIVXQQFSWUKF-YNEHKIRRSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)c1cn[nH]c1 ZINC000925633701 646377717 /nfs/dbraw/zinc/37/77/17/646377717.db2.gz GLBGNXCDNWQBLN-VHSXEESVSA-N 1 0 220.320 2.389 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1 ZINC000925638203 646382579 /nfs/dbraw/zinc/38/25/79/646382579.db2.gz YSGFSPFPFKLQEX-AEGPPILISA-N 1 0 229.323 2.376 20 30 BEEDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930006726 646392229 /nfs/dbraw/zinc/39/22/29/646392229.db2.gz WUSDHFWCZZQSQS-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930027984 646392243 /nfs/dbraw/zinc/39/22/43/646392243.db2.gz FLRPFGVQBQWGLF-QWHCGFSZSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CO)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000930084652 646426146 /nfs/dbraw/zinc/42/61/46/646426146.db2.gz AFOBTXLVNCNOAM-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000930120091 646442580 /nfs/dbraw/zinc/44/25/80/646442580.db2.gz WBYAIKSXMVPAMY-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO CCOCC[N@H+](C)CC1CCC(C#N)CC1 ZINC000930176586 646480873 /nfs/dbraw/zinc/48/08/73/646480873.db2.gz UMPXPYKIEFLLPV-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCOCC[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926113839 646576308 /nfs/dbraw/zinc/57/63/08/646576308.db2.gz BHDIREYYOVDZCY-XQQFMLRXSA-N 1 0 207.317 2.133 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926152173 646584361 /nfs/dbraw/zinc/58/43/61/646584361.db2.gz FJSPGIHENKVWCG-NEPJUHHUSA-N 1 0 249.358 2.196 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)[C@@H]2CCCOC2)C1 ZINC000926203505 646594031 /nfs/dbraw/zinc/59/40/31/646594031.db2.gz REVCBANNXAGOAN-REBRKWNGSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccc(C#N)cn1 ZINC000926227520 646598985 /nfs/dbraw/zinc/59/89/85/646598985.db2.gz DLYCGWCAVUSCTM-NSHDSACASA-N 1 0 242.326 2.371 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926253732 646600296 /nfs/dbraw/zinc/60/02/96/646600296.db2.gz VGCUADBLAFJWFL-GARJFASQSA-N 1 0 212.337 2.328 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000926230020 646600826 /nfs/dbraw/zinc/60/08/26/646600826.db2.gz XTAHGGSSTCLJPK-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926323727 646615442 /nfs/dbraw/zinc/61/54/42/646615442.db2.gz LBOTYJKSCKPKEB-HIFPTAJRSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1nn(CC)nc1C ZINC000926322136 646615886 /nfs/dbraw/zinc/61/58/86/646615886.db2.gz DBWCNOIXEAVDFN-SNVBAGLBSA-N 1 0 222.336 2.223 20 30 BEEDRO Cc1nonc1[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000926427063 646636590 /nfs/dbraw/zinc/63/65/90/646636590.db2.gz UZBSGWKUJQMRTD-SECBINFHSA-N 1 0 236.319 2.359 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)c2ncnn21 ZINC000926426587 646637471 /nfs/dbraw/zinc/63/74/71/646637471.db2.gz JSAGATCSMYYNDZ-MNOVXSKESA-N 1 0 247.346 2.203 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1cnnn1C ZINC000926483281 646655944 /nfs/dbraw/zinc/65/59/44/646655944.db2.gz SUFMSEWNOOWMSE-SNVBAGLBSA-N 1 0 222.336 2.068 20 30 BEEDRO Cc1nccnc1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000926491426 646660796 /nfs/dbraw/zinc/66/07/96/646660796.db2.gz WJGBZCPIXVABGA-LLVKDONJSA-N 1 0 246.358 2.246 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724860820 711622204 /nfs/dbraw/zinc/62/22/04/711622204.db2.gz XNHBWDGNXKMVLF-WUHRBBMRSA-N 1 0 224.348 2.424 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000382240677 711669682 /nfs/dbraw/zinc/66/96/82/711669682.db2.gz GHRSGIWCBFPZNF-UWVGGRQHSA-N 1 0 248.164 2.442 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccccc1C ZINC000393754577 711677267 /nfs/dbraw/zinc/67/72/67/711677267.db2.gz FITURIWSFDFMAZ-UHFFFAOYSA-N 1 0 205.301 2.287 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000389704963 711787441 /nfs/dbraw/zinc/78/74/41/711787441.db2.gz KRKKEDBDPQBNTL-GRYCIOLGSA-N 1 0 205.305 2.208 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721262066 711803948 /nfs/dbraw/zinc/80/39/48/711803948.db2.gz OCIJFLAIHRQIRC-AGIUHOORSA-N 1 0 209.333 2.336 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000591476916 711827751 /nfs/dbraw/zinc/82/77/51/711827751.db2.gz WZHMVDRNXHWKOH-QWHCGFSZSA-N 1 0 237.343 2.226 20 30 BEEDRO COC1CC(C[N@H+](C)[C@@H]2CCC[C@H]2C#N)C1 ZINC000703398331 712075488 /nfs/dbraw/zinc/07/54/88/712075488.db2.gz ODTHRIJIRKVPGY-PYNQCMFNSA-N 1 0 222.332 2.035 20 30 BEEDRO CCCCCCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000703760218 712086778 /nfs/dbraw/zinc/08/67/78/712086778.db2.gz DWEIKYGUDHRKMA-AWEZNQCLSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCC12CC2 ZINC000706577937 712150214 /nfs/dbraw/zinc/15/02/14/712150214.db2.gz VKOCUXNBWTYJOC-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000708344205 712189456 /nfs/dbraw/zinc/18/94/56/712189456.db2.gz DFJYZEROJKAYPV-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCC[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000708881736 712202490 /nfs/dbraw/zinc/20/24/90/712202490.db2.gz ZGWABULCYZDLEZ-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000709997025 712238755 /nfs/dbraw/zinc/23/87/55/712238755.db2.gz JKTYJAMKDXZYKK-NEPJUHHUSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000709997064 712238796 /nfs/dbraw/zinc/23/87/96/712238796.db2.gz JKTYJAMKDXZYKK-VXGBXAGGSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCCC[C@H]1O ZINC000710728010 712255637 /nfs/dbraw/zinc/25/56/37/712255637.db2.gz WUSPOOUIROIJSF-QJPTWQEYSA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@H]1CCC1(OC)OC ZINC000710968460 712270572 /nfs/dbraw/zinc/27/05/72/712270572.db2.gz DQORMWKZDXUHNF-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711382464 712296122 /nfs/dbraw/zinc/29/61/22/712296122.db2.gz OQDVYGFSCRXXQD-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@@H](C[NH2+]CC#Cc1ccccc1)OC ZINC000378780337 712360792 /nfs/dbraw/zinc/36/07/92/712360792.db2.gz FOGHTRIQNVJNKW-HNNXBMFYSA-N 1 0 231.339 2.443 20 30 BEEDRO C[C@@H]([NH2+]CCOC1CC1)c1cccc(C#N)c1 ZINC000715027171 712504626 /nfs/dbraw/zinc/50/46/26/712504626.db2.gz PFNAMNLQEHGAIE-LLVKDONJSA-N 1 0 230.311 2.388 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000715051204 712505319 /nfs/dbraw/zinc/50/53/19/712505319.db2.gz BDCZJFDXJQJTFM-SFYZADRCSA-N 1 0 211.334 2.462 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cn(CCC)nn1 ZINC000715919351 712542216 /nfs/dbraw/zinc/54/22/16/712542216.db2.gz FPZJGKWHUSYBPU-LBPRGKRZSA-N 1 0 234.347 2.142 20 30 BEEDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(C#N)s1 ZINC000716796070 712574282 /nfs/dbraw/zinc/57/42/82/712574282.db2.gz FRUNGWIYGKMIJS-UWVGGRQHSA-N 1 0 238.356 2.259 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(F)c1F ZINC000716855241 712578778 /nfs/dbraw/zinc/57/87/78/712578778.db2.gz IFAYTQBCCVJNRU-LLVKDONJSA-N 1 0 239.265 2.093 20 30 BEEDRO C#CC1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000830342926 712594927 /nfs/dbraw/zinc/59/49/27/712594927.db2.gz GUMZPVOSNGKOBE-UHFFFAOYSA-N 1 0 234.387 2.064 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]CC1CCCCC1 ZINC000716928720 712596549 /nfs/dbraw/zinc/59/65/49/712596549.db2.gz MPUMGMXZZQAYGM-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)C1CCCC1 ZINC000716928251 712596677 /nfs/dbraw/zinc/59/66/77/712596677.db2.gz GVPJMFGYUMTUAA-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](C)CC1 ZINC000379814475 712607680 /nfs/dbraw/zinc/60/76/80/712607680.db2.gz BMHBXXSBZCTASI-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccs1)[C@@H]1CCCO1 ZINC000379896463 712621702 /nfs/dbraw/zinc/62/17/02/712621702.db2.gz CBCXVIFOFXNFHD-NEPJUHHUSA-N 1 0 221.325 2.019 20 30 BEEDRO C#CCCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000379932049 712632370 /nfs/dbraw/zinc/63/23/70/712632370.db2.gz PGHHZLGAFSLZFX-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCC1(O)CC[NH+](CCCCF)CC1 ZINC000717404248 712655806 /nfs/dbraw/zinc/65/58/06/712655806.db2.gz FBOSZPXEMDMQBJ-UHFFFAOYSA-N 1 0 215.312 2.139 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H]1CCCC[C@@H]1CC ZINC000717709564 712666227 /nfs/dbraw/zinc/66/62/27/712666227.db2.gz IGRSYUOFBQPLJC-BFHYXJOUSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CC1CCCC1 ZINC000717761108 712673790 /nfs/dbraw/zinc/67/37/90/712673790.db2.gz PBTDHOWVVJRHHK-GXTWGEPZSA-N 1 0 223.360 2.319 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CCCC#N)CC1 ZINC000718300332 712754853 /nfs/dbraw/zinc/75/48/53/712754853.db2.gz PWLQQORSVRSORT-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCCN(C)c1ccccc1 ZINC000037871157 712778299 /nfs/dbraw/zinc/77/82/99/712778299.db2.gz QCGVGFFCDSROSB-ZDUSSCGKSA-N 1 0 231.343 2.405 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718812714 712783648 /nfs/dbraw/zinc/78/36/48/712783648.db2.gz MHFXWOPOARDKIJ-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCCC[NH+]1CCC(C2OCCO2)CC1 ZINC000719073205 712795753 /nfs/dbraw/zinc/79/57/53/712795753.db2.gz BYPOSYGPYUTATF-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@@H]2C)CC1 ZINC000380253017 712846338 /nfs/dbraw/zinc/84/63/38/712846338.db2.gz PQTJWYRBRDFSMH-AAEUAGOBSA-N 1 0 208.349 2.025 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720777552 712865112 /nfs/dbraw/zinc/86/51/12/712865112.db2.gz GNYPRSYJASJQAG-MNOVXSKESA-N 1 0 215.296 2.121 20 30 BEEDRO C[C@H](C#N)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000043514348 1171298921 /nfs/dbraw/zinc/29/89/21/1171298921.db2.gz OFULVOCWJRTFIK-CYBMUJFWSA-N 1 0 243.354 2.153 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1ccccc1F ZINC000384124012 710616891 /nfs/dbraw/zinc/61/68/91/710616891.db2.gz APBWDTRPDSKGIA-UONOGXRCSA-N 1 0 235.302 2.251 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000381543867 710653806 /nfs/dbraw/zinc/65/38/06/710653806.db2.gz JFQGRVFFOVOSDO-UHFFFAOYSA-N 1 0 240.734 2.336 20 30 BEEDRO C=CCCCc1nc([C@H]([NH3+])C(C)C)no1 ZINC000381566638 710657448 /nfs/dbraw/zinc/65/74/48/710657448.db2.gz SXAMFUPOKICLHY-SNVBAGLBSA-N 1 0 209.293 2.234 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000381619862 710663306 /nfs/dbraw/zinc/66/33/06/710663306.db2.gz YJSRGPWMSZYXSY-OLZOCXBDSA-N 1 0 241.400 2.148 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721616727 710684093 /nfs/dbraw/zinc/68/40/93/710684093.db2.gz ZNSAWNLJKTXUGE-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC#N)CCO1 ZINC000721847532 710686456 /nfs/dbraw/zinc/68/64/56/710686456.db2.gz ORVQAAJQCDOPTN-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(O)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000721847753 710687715 /nfs/dbraw/zinc/68/77/15/710687715.db2.gz VKTAGOUMFHNZBJ-OAHLLOKOSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000722582142 710717545 /nfs/dbraw/zinc/71/75/45/710717545.db2.gz JTSJHJILEDYHTJ-RYUDHWBXSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723624694 710730510 /nfs/dbraw/zinc/73/05/10/710730510.db2.gz LSNSOQUXGOXZRS-FRRDWIJNSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](Cc1ccoc1)C1CC1 ZINC000723737945 710731872 /nfs/dbraw/zinc/73/18/72/710731872.db2.gz FIARVACGXWQHHD-LLVKDONJSA-N 1 0 234.299 2.173 20 30 BEEDRO C=CC[N@H+]1CC[C@]2(CCN(C(=O)C=C(C)C)C2)C1 ZINC001041036703 710762448 /nfs/dbraw/zinc/76/24/48/710762448.db2.gz LCYHTIKNHDHIIS-HNNXBMFYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1sccc1C ZINC000381980203 710763289 /nfs/dbraw/zinc/76/32/89/710763289.db2.gz FBLMBPBKLZYICP-UHFFFAOYSA-N 1 0 236.384 2.101 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ncc[nH]1 ZINC000382116597 710794980 /nfs/dbraw/zinc/79/49/80/710794980.db2.gz MHTMOHOWYWTYGV-DCAQKATOSA-N 1 0 218.304 2.143 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000384191579 710813995 /nfs/dbraw/zinc/81/39/95/710813995.db2.gz HISGDXLXXLCOTI-RISCZKNCSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1ccccc1 ZINC000384198137 710821030 /nfs/dbraw/zinc/82/10/30/710821030.db2.gz ZEBQZFRLXFPUNY-CQSZACIVSA-N 1 0 217.312 2.457 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC001044428967 710826531 /nfs/dbraw/zinc/82/65/31/710826531.db2.gz ZQSQTAUFQPCJDK-NEPJUHHUSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccco2)[C@H](C)C1 ZINC001044428991 710827158 /nfs/dbraw/zinc/82/71/58/710827158.db2.gz ZQSQTAUFQPCJDK-VXGBXAGGSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccccc2)C1 ZINC001046112900 710850673 /nfs/dbraw/zinc/85/06/73/710850673.db2.gz XUNDDSSZZAHHTQ-OAHLLOKOSA-N 1 0 244.338 2.067 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000903109454 710892981 /nfs/dbraw/zinc/89/29/81/710892981.db2.gz PIUXGKPPCXOCEB-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)CCc1ccccc1 ZINC000801914520 710873908 /nfs/dbraw/zinc/87/39/08/710873908.db2.gz JMVXMUYGWKNPPE-AWEZNQCLSA-N 1 0 246.354 2.480 20 30 BEEDRO COC1([C@H](C)[NH2+]CC(C)(C)C#N)CCCC1 ZINC000903102328 710891510 /nfs/dbraw/zinc/89/15/10/710891510.db2.gz WHNPXHZTIDGFQW-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC ZINC001049262506 710897977 /nfs/dbraw/zinc/89/79/77/710897977.db2.gz DJDWZGRTINUHDQ-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC ZINC001049280510 710899587 /nfs/dbraw/zinc/89/95/87/710899587.db2.gz VHHYCARMHIQLTG-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC1 ZINC001049284103 710899604 /nfs/dbraw/zinc/89/96/04/710899604.db2.gz DSUMQMVFBZCVPG-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@@H+](C/C=C(\C)C(=O)OC)C(C)(C)C ZINC000382522431 710946066 /nfs/dbraw/zinc/94/60/66/710946066.db2.gz BMYCFLXPSWCALV-DHZHZOJOSA-N 1 0 225.332 2.392 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C2=CCCC2)C[C@@H]1C ZINC001054572653 710938489 /nfs/dbraw/zinc/93/84/89/710938489.db2.gz XGWIUEXZKLXPQF-JSGCOSHPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@H]1C ZINC001054642577 710940790 /nfs/dbraw/zinc/94/07/90/710940790.db2.gz HHRIFLSFVQYXLO-BXUZGUMPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(C)=C2CCC2)C[C@@H]1C ZINC001054642581 710940855 /nfs/dbraw/zinc/94/08/55/710940855.db2.gz HHRIFLSFVQYXLO-SMDDNHRTSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)C2=CCCC2)CC1 ZINC001052302112 710963497 /nfs/dbraw/zinc/96/34/97/710963497.db2.gz FYKMEBIMVWCBNX-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCOCC(F)(F)F ZINC000384131066 710989086 /nfs/dbraw/zinc/98/90/86/710989086.db2.gz CFRQATJGPRITLF-SNVBAGLBSA-N 1 0 237.265 2.347 20 30 BEEDRO COc1cccc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)c1 ZINC000385554319 711014639 /nfs/dbraw/zinc/01/46/39/711014639.db2.gz RAXMNSRPTXFUBN-NWDGAFQWSA-N 1 0 248.326 2.274 20 30 BEEDRO C=CCCCCCCNC1=[NH+]CCCN1 ZINC000386299556 711027956 /nfs/dbraw/zinc/02/79/56/711027956.db2.gz QZECSICZSWIEAG-UHFFFAOYSA-N 1 0 209.337 2.062 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000387393563 711042875 /nfs/dbraw/zinc/04/28/75/711042875.db2.gz KKPHBVTZBRALRQ-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO N#CCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000388429091 711060721 /nfs/dbraw/zinc/06/07/21/711060721.db2.gz MBAWWYUXMUGGFF-ZETCQYMHSA-N 1 0 207.104 2.074 20 30 BEEDRO CCOCCCC[NH2+]CC#Cc1ccccc1 ZINC000388519088 711062459 /nfs/dbraw/zinc/06/24/59/711062459.db2.gz WCOAQIFZIFPMSY-UHFFFAOYSA-N 1 0 231.339 2.444 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000389752515 711089772 /nfs/dbraw/zinc/08/97/72/711089772.db2.gz ZKDCXCRILQXZQW-RWMBFGLXSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CC[NH+]1CCC(Nc2nccs2)CC1 ZINC000389878655 711094785 /nfs/dbraw/zinc/09/47/85/711094785.db2.gz MYKWARVORABQPM-UHFFFAOYSA-N 1 0 223.345 2.205 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000389898742 711096058 /nfs/dbraw/zinc/09/60/58/711096058.db2.gz BPBJZRFNBPVZPM-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000389898737 711096146 /nfs/dbraw/zinc/09/61/46/711096146.db2.gz BPBJZRFNBPVZPM-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000389898740 711096366 /nfs/dbraw/zinc/09/63/66/711096366.db2.gz BPBJZRFNBPVZPM-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H]([NH2+]CCCCCC)[C@@H]1CCCO1 ZINC000389915205 711097156 /nfs/dbraw/zinc/09/71/56/711097156.db2.gz KWUHTDPHGICEKN-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C#C)C(C)C)cc1 ZINC000390350032 711112497 /nfs/dbraw/zinc/11/24/97/711112497.db2.gz OZFFYLQMWTVESJ-OAHLLOKOSA-N 1 0 211.308 2.415 20 30 BEEDRO C[C@H](CC#N)[NH2+]CC[C@H](O)c1ccccc1 ZINC000390316327 711112980 /nfs/dbraw/zinc/11/29/80/711112980.db2.gz HJAJWQXHRZVTQA-YPMHNXCESA-N 1 0 218.300 2.002 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1cnccn1)C(C)(C)C ZINC000390493609 711122004 /nfs/dbraw/zinc/12/20/04/711122004.db2.gz REOCFULBTDKUFU-JQWIXIFHSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CCCC[NH2+]Cc1c(O)cccc1OC ZINC000390509242 711122800 /nfs/dbraw/zinc/12/28/00/711122800.db2.gz YUNPVOWLPYFGQL-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)COCC)cc1 ZINC000390559809 711125153 /nfs/dbraw/zinc/12/51/53/711125153.db2.gz RQBHFGVELDLNKN-GFCCVEGCSA-N 1 0 217.312 2.183 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000393601170 711165349 /nfs/dbraw/zinc/16/53/49/711165349.db2.gz SOPIIEDWSWDENA-AWEZNQCLSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)CC[NH2+]C(C)(C)C ZINC000393814103 711175681 /nfs/dbraw/zinc/17/56/81/711175681.db2.gz UGRGAJBGLJPTRM-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000395166640 711203257 /nfs/dbraw/zinc/20/32/57/711203257.db2.gz XCTNUIMPMBCGAL-YPMHNXCESA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCC(C)(C)CNC(NCC)=[NH+]CC ZINC000395613881 711212799 /nfs/dbraw/zinc/21/27/99/711212799.db2.gz DHMDNVPRKPHQSU-UHFFFAOYSA-N 1 0 211.353 2.164 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C1CCN(OC)CC1 ZINC000398199225 711404466 /nfs/dbraw/zinc/40/44/66/711404466.db2.gz VGDKFAXTXSKQCC-LBPRGKRZSA-N 1 0 226.364 2.347 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(OC)ns1 ZINC000399197130 711424865 /nfs/dbraw/zinc/42/48/65/711424865.db2.gz YGXZEJNSSWGXEE-LLVKDONJSA-N 1 0 224.329 2.043 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000383681417 710596666 /nfs/dbraw/zinc/59/66/66/710596666.db2.gz QVNWFVQVUPBBRV-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000381230134 710610563 /nfs/dbraw/zinc/61/05/63/710610563.db2.gz KRKGPMOPADITOE-AVGNSLFASA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1cc[nH]c(=O)c1 ZINC000381301473 710619178 /nfs/dbraw/zinc/61/91/78/710619178.db2.gz ILJDFFKHGRIPDC-SNVBAGLBSA-N 1 0 219.288 2.132 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000381474065 710642447 /nfs/dbraw/zinc/64/24/47/710642447.db2.gz PWSFOLPPOCLVKE-JTQLQIEISA-N 1 0 238.356 2.357 20 30 BEEDRO C#CCCC[N@@H+]1CCS[C@H](C(F)(F)F)C1 ZINC000721386921 710675418 /nfs/dbraw/zinc/67/54/18/710675418.db2.gz ZJCGJQNSRQRSHE-VIFPVBQESA-N 1 0 237.290 2.380 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724464031 710741078 /nfs/dbraw/zinc/74/10/78/710741078.db2.gz FGDHRWSUOWFYNO-NNYUYHANSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)[C@@H](C)C1 ZINC001044542965 710829600 /nfs/dbraw/zinc/82/96/00/710829600.db2.gz KOYKTUPQGXCJPK-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000903108975 710892069 /nfs/dbraw/zinc/89/20/69/710892069.db2.gz JKHQBUYUYALZGI-QWHCGFSZSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C)CC1 ZINC001049488917 710900927 /nfs/dbraw/zinc/90/09/27/710900927.db2.gz CURIBHVIVCRVGV-OLZOCXBDSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C)C[C@@H]1C ZINC001054390573 710932397 /nfs/dbraw/zinc/93/23/97/710932397.db2.gz WNCNJUCXNVQKDA-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(CC)CC)C[C@H]1C ZINC001054382329 710932865 /nfs/dbraw/zinc/93/28/65/710932865.db2.gz HCDXUTKHWBIUIC-DGCLKSJQSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000383082142 710952347 /nfs/dbraw/zinc/95/23/47/710952347.db2.gz UIGAADMMIZFKRJ-CQSZACIVSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CC(C)(C)C ZINC000385080696 711004107 /nfs/dbraw/zinc/00/41/07/711004107.db2.gz FGOZHZDCOKMFSC-CYBMUJFWSA-N 1 0 224.392 2.356 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]CC#Cc1ccccc1 ZINC000395212977 711205764 /nfs/dbraw/zinc/20/57/64/711205764.db2.gz JUISSCMALCGSRU-AWEZNQCLSA-N 1 0 231.339 2.036 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)/C=C(\C)C2CC2)[C@H]1C ZINC001074546191 711442856 /nfs/dbraw/zinc/44/28/56/711442856.db2.gz OPZIFHZHLIMGCB-IWYIRLTCSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CC1(Cl)Cl ZINC000393356899 711468053 /nfs/dbraw/zinc/46/80/53/711468053.db2.gz XRJVDXXKMUDJIZ-QMMMGPOBSA-N 1 0 206.116 2.135 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCOC1(C)C ZINC000306339934 711468517 /nfs/dbraw/zinc/46/85/17/711468517.db2.gz YGWZJZLXOWTMGT-MRVPVSSYSA-N 1 0 234.137 2.052 20 30 BEEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)CCCC)c1 ZINC000076748997 711486421 /nfs/dbraw/zinc/48/64/21/711486421.db2.gz AUUTXYOGJZLEGY-UHFFFAOYSA-N 1 0 244.338 2.338 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCN1CCC(C)CC1 ZINC000723451480 711511519 /nfs/dbraw/zinc/51/15/19/711511519.db2.gz IMBNTQKACFZNKZ-CQSZACIVSA-N 1 0 222.376 2.110 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000723575272 711519201 /nfs/dbraw/zinc/51/92/01/711519201.db2.gz XKLYUPVPXOELEI-CQSZACIVSA-N 1 0 234.387 2.254 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723609862 711525290 /nfs/dbraw/zinc/52/52/90/711525290.db2.gz YUAKLLHRUWKGKJ-MELADBBJSA-N 1 0 236.359 2.475 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723628398 711527051 /nfs/dbraw/zinc/52/70/51/711527051.db2.gz JGKHYBVQJRPBAD-XJFOESAGSA-N 1 0 221.344 2.193 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723638497 711528785 /nfs/dbraw/zinc/52/87/85/711528785.db2.gz NYTIVXQQFSWUKF-FRRDWIJNSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723969498 711549136 /nfs/dbraw/zinc/54/91/36/711549136.db2.gz QYIGZEZVGJFMSY-QWHCGFSZSA-N 1 0 209.333 2.357 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723991569 711551633 /nfs/dbraw/zinc/55/16/33/711551633.db2.gz DJNSRUNNTPLTOX-OLZOCXBDSA-N 1 0 234.343 2.085 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCOC1 ZINC000724000747 711553479 /nfs/dbraw/zinc/55/34/79/711553479.db2.gz RYZBLAAVDGBPJZ-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1F ZINC000724156027 711565089 /nfs/dbraw/zinc/56/50/89/711565089.db2.gz IRFFGGUVOLQEDR-ZIAGYGMSSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)CCC(C)(C)C#N ZINC000724157049 711565133 /nfs/dbraw/zinc/56/51/33/711565133.db2.gz LEESXFDLJLHLHY-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CCC2(OC)OC)CC1 ZINC000724440402 711580694 /nfs/dbraw/zinc/58/06/94/711580694.db2.gz APVJQTZFAUNNCN-ZDUSSCGKSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000724550492 711589888 /nfs/dbraw/zinc/58/98/88/711589888.db2.gz WSTHJYFOKYVKIT-YPMHNXCESA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1C[C@H]1CC2(CCC2)CO1 ZINC000934518530 711591099 /nfs/dbraw/zinc/59/10/99/711591099.db2.gz JMPMAMUHQHLJSL-ZIAGYGMSSA-N 1 0 233.355 2.433 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721523711 711617687 /nfs/dbraw/zinc/61/76/87/711617687.db2.gz UICGYMPGCGUTKN-STQMWFEESA-N 1 0 241.375 2.372 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926511999 711619536 /nfs/dbraw/zinc/61/95/36/711619536.db2.gz IUZQZGUDSRCARP-RNJOBUHISA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724858047 711621195 /nfs/dbraw/zinc/62/11/95/711621195.db2.gz HMYRTHLXQGZZQY-NDBYEHHHSA-N 1 0 224.348 2.281 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cncc(C#N)c1 ZINC000721557227 711625044 /nfs/dbraw/zinc/62/50/44/711625044.db2.gz AFSGOHHYKLCFGV-QWRGUYRKSA-N 1 0 215.300 2.326 20 30 BEEDRO C=CCC1([NH2+]CCO[C@H]2CCOC2)CCCC1 ZINC000724975358 711639570 /nfs/dbraw/zinc/63/95/70/711639570.db2.gz QIIPTUASJRJNPV-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H](CCO)C2CCCC2)o1 ZINC000725090018 711651317 /nfs/dbraw/zinc/65/13/17/711651317.db2.gz UPXKWBRSNLVNIG-CQSZACIVSA-N 1 0 248.326 2.182 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721584340 711652948 /nfs/dbraw/zinc/65/29/48/711652948.db2.gz CXJKZIZKUKZVML-SDDRHHMPSA-N 1 0 209.333 2.191 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721593481 711656104 /nfs/dbraw/zinc/65/61/04/711656104.db2.gz LSJBIXJFOSBBHM-WOPDTQHZSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CCSCC[NH2+]C[C@]1(C)CCCS1 ZINC000382320579 711665886 /nfs/dbraw/zinc/66/58/86/711665886.db2.gz TVPCNYWRYAUFRK-NSHDSACASA-N 1 0 229.414 2.228 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC000721624513 711671603 /nfs/dbraw/zinc/67/16/03/711671603.db2.gz USTXFOOUVYSDIQ-WDEREUQCSA-N 1 0 217.316 2.477 20 30 BEEDRO CCCCC(N)=[NH+]OCCCSC ZINC000174126484 711675214 /nfs/dbraw/zinc/67/52/14/711675214.db2.gz SQVOZEPPRVCSFQ-UHFFFAOYSA-N 1 0 204.339 2.219 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CCC(C)C ZINC000328092271 711689420 /nfs/dbraw/zinc/68/94/20/711689420.db2.gz IZOMIBSKTITBPY-AWEZNQCLSA-N 1 0 224.392 2.356 20 30 BEEDRO CSC(C)(C)CC[NH2+]C[C@@H](C)C#N ZINC000385298324 711690071 /nfs/dbraw/zinc/69/00/71/711690071.db2.gz JQLISJSPSDKOBV-VIFPVBQESA-N 1 0 200.351 2.267 20 30 BEEDRO CCCCCCCNC(=O)[C@H]([NH3+])C(C)C ZINC000396424402 711701316 /nfs/dbraw/zinc/70/13/16/711701316.db2.gz LDRUXFNTIDDOES-LLVKDONJSA-N 1 0 214.353 2.056 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]CC#Cc1ccccc1 ZINC000398562088 711715610 /nfs/dbraw/zinc/71/56/10/711715610.db2.gz RQKLUARAKGQXOH-OAHLLOKOSA-N 1 0 231.339 2.179 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723628629 711730246 /nfs/dbraw/zinc/73/02/46/711730246.db2.gz KCZCFZIUFBIPLM-JHJVBQTASA-N 1 0 209.333 2.357 20 30 BEEDRO CCc1noc(C2CCC([NH2+]CCC#N)CC2)n1 ZINC000425967977 711763666 /nfs/dbraw/zinc/76/36/66/711763666.db2.gz PZVHTEAFPCPDJV-UHFFFAOYSA-N 1 0 248.330 2.161 20 30 BEEDRO Cn1cc(C[NH2+]CC(C)(C)CC#N)c(C2CC2)n1 ZINC000894854504 711772908 /nfs/dbraw/zinc/77/29/08/711772908.db2.gz JLUIVTMLWRTCFY-UHFFFAOYSA-N 1 0 246.358 2.327 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895101620 711776611 /nfs/dbraw/zinc/77/66/11/711776611.db2.gz NCPDMFRXGBBYMV-CYBMUJFWSA-N 1 0 243.354 2.453 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721868677 711792767 /nfs/dbraw/zinc/79/27/67/711792767.db2.gz IFBMZDWYGMIJRP-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C=C/C2CC2)C1 ZINC000988461434 711795152 /nfs/dbraw/zinc/79/51/52/711795152.db2.gz PYCKYRZSUJWNSQ-WQYAIIHGSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000379418749 711802067 /nfs/dbraw/zinc/80/20/67/711802067.db2.gz WPFPCLYPZKQDAS-NXEZZACHSA-N 1 0 248.164 2.300 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CCC2CCOCC2)C1 ZINC000590115655 711826351 /nfs/dbraw/zinc/82/63/51/711826351.db2.gz NUMJMSUCXAMJOS-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CCO1 ZINC000225801698 711829555 /nfs/dbraw/zinc/82/95/55/711829555.db2.gz MFLYSRLIOPYTGS-ZFWWWQNUSA-N 1 0 229.323 2.195 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000167716512 711830644 /nfs/dbraw/zinc/83/06/44/711830644.db2.gz LBUPGGNWIPEVRD-UWVGGRQHSA-N 1 0 203.713 2.286 20 30 BEEDRO Cc1cccc(CNC(=[NH2+])Nc2ccccn2)c1 ZINC000170911162 711837943 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CC[C@@H]1COC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000711026928 712275544 /nfs/dbraw/zinc/27/55/44/712275544.db2.gz PKROBXWTBPLVIN-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711144466 712285259 /nfs/dbraw/zinc/28/52/59/712285259.db2.gz MVJRGDQWTZXSCM-YVECIDJPSA-N 1 0 209.333 2.092 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000711399744 712297768 /nfs/dbraw/zinc/29/77/68/712297768.db2.gz FECXXNJQGDKVNQ-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO N#Cc1cccc(OCC[N@H+]2CC[C@@H](CF)C2)c1 ZINC000711434735 712300138 /nfs/dbraw/zinc/30/01/38/712300138.db2.gz JQHUXYFHBCWUJK-ZDUSSCGKSA-N 1 0 248.301 2.228 20 30 BEEDRO C[C@@H]1CN[C@@H](C)[C@H](C)[N@@H+]1CC1CCC(C#N)CC1 ZINC000923435088 712322213 /nfs/dbraw/zinc/32/22/13/712322213.db2.gz DNOGGWBKFBBYDH-RIUMEUQESA-N 1 0 249.402 2.387 20 30 BEEDRO C[C@@H]1CN[C@@H](C)[C@@H](C)[N@@H+]1CC1CCC(C#N)CC1 ZINC000923435087 712322524 /nfs/dbraw/zinc/32/25/24/712322524.db2.gz 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XSHXUBNIOMWAJC-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC000713031571 712451670 /nfs/dbraw/zinc/45/16/70/712451670.db2.gz XSHXUBNIOMWAJC-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000714443672 712489127 /nfs/dbraw/zinc/48/91/27/712489127.db2.gz PLAFELJLUFXYJC-OKILXGFUSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000715042663 712504490 /nfs/dbraw/zinc/50/44/90/712504490.db2.gz FCFUEMZNYQFMML-NEPJUHHUSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nnc(C)s1 ZINC000715051203 712504988 /nfs/dbraw/zinc/50/49/88/712504988.db2.gz BDCZJFDXJQJTFM-JGVFFNPUSA-N 1 0 211.334 2.462 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715412542 712517870 /nfs/dbraw/zinc/51/78/70/712517870.db2.gz BVMGXTSNSJIFGI-DTORHVGOSA-N 1 0 214.259 2.123 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715845566 712535205 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712592697 /nfs/dbraw/zinc/59/26/97/712592697.db2.gz HFLOEIXCEGOZKG-STQMWFEESA-N 1 0 220.316 2.305 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CCc1ccco1 ZINC000716933480 712597264 /nfs/dbraw/zinc/59/72/64/712597264.db2.gz IFHBRIFRTRUCTR-QWHCGFSZSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(F)ccc1C ZINC000716935614 712597508 /nfs/dbraw/zinc/59/75/08/712597508.db2.gz PLTUNVLKGONUFM-CQSZACIVSA-N 1 0 235.302 2.262 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000716945558 712598490 /nfs/dbraw/zinc/59/84/90/712598490.db2.gz LMQVEJQNRNXEMM-CQSZACIVSA-N 1 0 247.338 2.132 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000716948699 712598785 /nfs/dbraw/zinc/59/87/85/712598785.db2.gz QWWWZIAUXTZEKG-DOMZBBRYSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000716948705 712598787 /nfs/dbraw/zinc/59/87/87/712598787.db2.gz QWWWZIAUXTZEKG-WFASDCNBSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(OCC)cc1 ZINC000716949741 712598869 /nfs/dbraw/zinc/59/88/69/712598869.db2.gz UFPDAWOHYALYNM-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)ccc1OC ZINC000716950800 712599040 /nfs/dbraw/zinc/59/90/40/712599040.db2.gz XXQLMKZCKRUPKU-CQSZACIVSA-N 1 0 247.338 2.132 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000847026898 712608323 /nfs/dbraw/zinc/60/83/23/712608323.db2.gz QXOKGUZPUHHFQA-HOCLYGCPSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnn2CC(C)C)C1 ZINC000848923624 712610191 /nfs/dbraw/zinc/61/01/91/712610191.db2.gz HFWPYTFFUOPROU-CQSZACIVSA-N 1 0 245.370 2.384 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)nc2)C1 ZINC000848923632 712610261 /nfs/dbraw/zinc/61/02/61/712610261.db2.gz HMWNEKMANRTFOK-LBPRGKRZSA-N 1 0 241.338 2.199 20 30 BEEDRO C[C@H](C#N)OCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000379847256 712616721 /nfs/dbraw/zinc/61/67/21/712616721.db2.gz IFGDOFXSHWDZKG-GRYCIOLGSA-N 1 0 210.321 2.178 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(COC)CCC1)C(C)C ZINC000379871105 712619497 /nfs/dbraw/zinc/61/94/97/712619497.db2.gz QNYRUKMPKMKCCQ-GFCCVEGCSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCC1(O)CC[NH+](CCc2ccncc2)CC1 ZINC000717423118 712657631 /nfs/dbraw/zinc/65/76/31/712657631.db2.gz JRHIMDVUOCJPJY-UHFFFAOYSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCC1(O)CC[NH+](CCc2ccccn2)CC1 ZINC000717424266 712658424 /nfs/dbraw/zinc/65/84/24/712658424.db2.gz NOUPSXCPEUDSCJ-UHFFFAOYSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCC1(O)CC[NH+](CCSCC)CC1 ZINC000717493680 712659862 /nfs/dbraw/zinc/65/98/62/712659862.db2.gz GULBCTJSFXFMHY-UHFFFAOYSA-N 1 0 229.389 2.143 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CCC)C1CCCC1 ZINC000717569064 712661123 /nfs/dbraw/zinc/66/11/23/712661123.db2.gz AEVGLQGMSHARME-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C[NH+](C)CC#CCNc1nc2ccccc2s1 ZINC000717607772 712662413 /nfs/dbraw/zinc/66/24/13/712662413.db2.gz FCYVHFVPUKSTCY-UHFFFAOYSA-N 1 0 245.351 2.273 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(C2CC2)c1 ZINC000717741223 712668517 /nfs/dbraw/zinc/66/85/17/712668517.db2.gz VJXWRQUDATVUFU-OAHLLOKOSA-N 1 0 229.323 2.038 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000717747572 712669116 /nfs/dbraw/zinc/66/91/16/712669116.db2.gz DNZYEDCKENSPQZ-KFWWJZLASA-N 1 0 235.371 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000717766743 712674301 /nfs/dbraw/zinc/67/43/01/712674301.db2.gz XVUFOEUDJCBJFZ-SCRDCRAPSA-N 1 0 247.338 2.267 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]CCCCC(C)C ZINC000717762319 712674309 /nfs/dbraw/zinc/67/43/09/712674309.db2.gz AZCMFZCNYLZEMG-ZDUSSCGKSA-N 1 0 211.349 2.177 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1 ZINC000717764429 712674442 /nfs/dbraw/zinc/67/44/42/712674442.db2.gz KAGCUWXLXLJBKW-ZBFHGGJFSA-N 1 0 245.366 2.372 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CCC[C@H](C)C1 ZINC000717813021 712680288 /nfs/dbraw/zinc/68/02/88/712680288.db2.gz GBSMDDNXRNDKPC-MELADBBJSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000717823987 712681705 /nfs/dbraw/zinc/68/17/05/712681705.db2.gz USOUPIJBDCIRBN-IGQOVBAYSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000717840278 712686891 /nfs/dbraw/zinc/68/68/91/712686891.db2.gz FTSZBSFAVHQGDT-STQMWFEESA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000717840106 712687016 /nfs/dbraw/zinc/68/70/16/712687016.db2.gz DGKIFZRMJMBIHJ-MGPQQGTHSA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C1CCC(CCC)CC1 ZINC000717841301 712691606 /nfs/dbraw/zinc/69/16/06/712691606.db2.gz RMPQDYANRFNWQU-RUXDESIVSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CCOCC[N@H+]1Cc2ccccc2OC[C@@H]1C ZINC000294697699 712698414 /nfs/dbraw/zinc/69/84/14/712698414.db2.gz UHQCGDGTAWUFMF-ZDUSSCGKSA-N 1 0 247.338 2.472 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@H](C#N)C2)C1 ZINC000932154072 712715908 /nfs/dbraw/zinc/71/59/08/712715908.db2.gz DMEOKOOJYXQQIA-QLFBSQMISA-N 1 0 249.402 2.200 20 30 BEEDRO C#CC[N@@H+](C)CCOc1cccc(CC)c1 ZINC000192232179 712726768 /nfs/dbraw/zinc/72/67/68/712726768.db2.gz MYCSKYDZRWXYBR-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cc(C)co1 ZINC000718069226 712740845 /nfs/dbraw/zinc/74/08/45/712740845.db2.gz BSJRAENXINLNNG-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@H]2CC[N@H+](C)[C@H]2C)n1 ZINC000719578196 712811620 /nfs/dbraw/zinc/81/16/20/712811620.db2.gz UKRKKTQGRGFFKZ-AAEUAGOBSA-N 1 0 244.342 2.075 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc(C#N)c1 ZINC000719649075 712820524 /nfs/dbraw/zinc/82/05/24/712820524.db2.gz SPZQIVWHSUWZSL-HUBLWGQQSA-N 1 0 243.354 2.301 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccc(C#N)cc1 ZINC000719648144 712820801 /nfs/dbraw/zinc/82/08/01/712820801.db2.gz PEZFRCNRGUPQMM-YWPYICTPSA-N 1 0 243.354 2.301 20 30 BEEDRO C[C@H]1[C@H](Nc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000719760272 712822599 /nfs/dbraw/zinc/82/25/99/712822599.db2.gz QVHYHAWOXBBBJI-JOYOIKCWSA-N 1 0 233.290 2.202 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1ccns1 ZINC000719845978 712826221 /nfs/dbraw/zinc/82/62/21/712826221.db2.gz MEIISBVNESKRMX-LLVKDONJSA-N 1 0 208.330 2.077 20 30 BEEDRO C#CC[NH2+][C@H](Cc1ccccc1)C(C)C ZINC000380227093 712833560 /nfs/dbraw/zinc/83/35/60/712833560.db2.gz KNSJJMRENMSJTR-CQSZACIVSA-N 1 0 201.313 2.477 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C1(C)CCCC1 ZINC000720395121 712838283 /nfs/dbraw/zinc/83/82/83/712838283.db2.gz SIFRJGVKICZSNI-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[NH+]=C(NCCCSCC(C)C)NC1CC1 ZINC000305326817 712842819 /nfs/dbraw/zinc/84/28/19/712842819.db2.gz YHYXVIJLWXZEFN-UHFFFAOYSA-N 1 0 243.420 2.093 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)CCO1 ZINC000720460917 712844279 /nfs/dbraw/zinc/84/42/79/712844279.db2.gz RSDURQFYSUULFC-GFCCVEGCSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(CC#N)cc2)CCO1 ZINC000720468932 712845391 /nfs/dbraw/zinc/84/53/91/712845391.db2.gz AAEFZOHAZNOSIC-CYBMUJFWSA-N 1 0 244.338 2.363 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH+]2CCC(C)(C#N)CC2)C1 ZINC000721134022 712892108 /nfs/dbraw/zinc/89/21/08/712892108.db2.gz LOIQCIFZVDVHAA-TXEJJXNPSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721165951 712893428 /nfs/dbraw/zinc/89/34/28/712893428.db2.gz FCEXYHPMFXCONC-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721165953 712893503 /nfs/dbraw/zinc/89/35/03/712893503.db2.gz FCEXYHPMFXCONC-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@]1(C)CCC[C@@H]1C ZINC001266323811 957243114 /nfs/dbraw/zinc/24/31/14/957243114.db2.gz OMPVLZMNSAZHNZ-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](C(F)F)C1 ZINC001209266007 957368325 /nfs/dbraw/zinc/36/83/25/957368325.db2.gz FBJRGPLKSQNLHX-SNVBAGLBSA-N 1 0 201.260 2.377 20 30 BEEDRO C=CCCCCCC[N@H+]1CC[C@@H](NC(C)=O)C1 ZINC001209441185 957475913 /nfs/dbraw/zinc/47/59/13/957475913.db2.gz UXXBRYGXRVMJCL-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CC1CCC(Oc2cc[nH+]c(N)c2)CC1 ZINC001226658075 975005489 /nfs/dbraw/zinc/00/54/89/975005489.db2.gz UYFUDLZJEUAQSO-UHFFFAOYSA-N 1 0 217.272 2.125 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)CCCC1CC1 ZINC001266809262 958424676 /nfs/dbraw/zinc/42/46/76/958424676.db2.gz VCXBVKCYTVLOJD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC1([NH2+]Cc2nonc2C)CCCC1 ZINC000690724831 958681350 /nfs/dbraw/zinc/68/13/50/958681350.db2.gz VKBWHQMQCNIWQR-UHFFFAOYSA-N 1 0 221.304 2.357 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(F)c(C)c1 ZINC001218204486 959889782 /nfs/dbraw/zinc/88/97/82/959889782.db2.gz QIKFSPAZTMBBRF-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC001267764026 960306277 /nfs/dbraw/zinc/30/62/77/960306277.db2.gz QTXRKSYHWUZTER-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+]CCC ZINC001267815634 960393763 /nfs/dbraw/zinc/39/37/63/960393763.db2.gz PYUHNTGFPHDOMD-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](N(C)C)[C@H]1C ZINC000931037018 960492551 /nfs/dbraw/zinc/49/25/51/960492551.db2.gz KCPZFBBNXLQRIA-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)CC(C)(C)C ZINC001267977299 960650577 /nfs/dbraw/zinc/65/05/77/960650577.db2.gz JQBXKCBHLVOUFB-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@@H](C[NH2+]CC)C1 ZINC001027040753 960740329 /nfs/dbraw/zinc/74/03/29/960740329.db2.gz IYAMZLDNCMNHRF-JSGCOSHPSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(C)c1nc[nH]c1CN1CC(CC#N)C1 ZINC001142209102 961344073 /nfs/dbraw/zinc/34/40/73/961344073.db2.gz IBTOKKXYNJYRKD-UHFFFAOYSA-N 1 0 232.331 2.053 20 30 BEEDRO C=C1CC(C)(C(=O)NC[C@H]([NH2+]CC)C(C)C)C1 ZINC001268216023 961430298 /nfs/dbraw/zinc/43/02/98/961430298.db2.gz GARAJDVUBVUZPY-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1 ZINC001142908432 961821790 /nfs/dbraw/zinc/82/17/90/961821790.db2.gz AFOUVCGADXTUBC-UHFFFAOYSA-N 1 0 233.311 2.020 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(CC)CC ZINC001268637999 962224981 /nfs/dbraw/zinc/22/49/81/962224981.db2.gz AYBUOONGMVTQRD-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001268681572 962285506 /nfs/dbraw/zinc/28/55/06/962285506.db2.gz FKWRHSLISFZEEZ-LAUAKBEESA-N 1 0 238.375 2.259 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)C[N@@H+](C)CCC ZINC001268743727 962331425 /nfs/dbraw/zinc/33/14/25/962331425.db2.gz PQPUYUOZSCEWKS-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)C1CCC1 ZINC001269360975 962619045 /nfs/dbraw/zinc/61/90/45/962619045.db2.gz NTDDXBAPRAFKPK-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CCCC ZINC001154684754 962833837 /nfs/dbraw/zinc/83/38/37/962833837.db2.gz MAMMZZZKZGBHMR-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCC1CCC1 ZINC001156307876 963309415 /nfs/dbraw/zinc/30/94/15/963309415.db2.gz DGGYYENJTKXKBU-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H](C)C[NH2+]CCC ZINC001271083571 963351160 /nfs/dbraw/zinc/35/11/60/963351160.db2.gz QZHXIYWWDQVNDI-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000320633049 963584116 /nfs/dbraw/zinc/58/41/16/963584116.db2.gz KYUAAHLYCWMSFB-HOAMVYINSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C/C(C)=C\CC(=O)N[C@H](C)CC[NH2+]CC#CC ZINC001482863185 964223074 /nfs/dbraw/zinc/22/30/74/964223074.db2.gz HBJRLPZTDCYNND-YLHGKKIISA-N 1 0 248.370 2.017 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)/C=C(\C)CC ZINC001126758021 964223177 /nfs/dbraw/zinc/22/31/77/964223177.db2.gz LFFLEHHMWFUNGY-YLSINNKHSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)C(C)C ZINC001483172290 964801363 /nfs/dbraw/zinc/80/13/63/964801363.db2.gz ONUSJTTUMUOIKH-MNOVXSKESA-N 1 0 246.782 2.125 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)CC1(C)CC1 ZINC001483362195 964990214 /nfs/dbraw/zinc/99/02/14/964990214.db2.gz CGRYTMGMBLJFEO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1COCC1(C)C ZINC000696079133 965233749 /nfs/dbraw/zinc/23/37/49/965233749.db2.gz NHQRHTKJARTDGR-NSHDSACASA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C[NH2+]CCC)[C@H](C)C1 ZINC001105923823 965250286 /nfs/dbraw/zinc/25/02/86/965250286.db2.gz JCXGKJVDCVPXIO-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)C(C)(C)C(=C)C ZINC001163855646 965610097 /nfs/dbraw/zinc/61/00/97/965610097.db2.gz LWORQTUGZDWHGJ-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[NH2+]CC(=C)C ZINC001164324574 965845448 /nfs/dbraw/zinc/84/54/48/965845448.db2.gz WNXYEEKMJFBVFJ-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO CC(C)[C@@H](C#N)c1ccc(NOCC[NH3+])cc1 ZINC001164435481 965879600 /nfs/dbraw/zinc/87/96/00/965879600.db2.gz HBLGBNONJBFYAS-CYBMUJFWSA-N 1 0 233.315 2.252 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC[C@@H]1CCCCO1 ZINC000699635609 966011204 /nfs/dbraw/zinc/01/12/04/966011204.db2.gz GEUVHHJOWRZOHD-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C[C@H]1COC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000699740983 966056756 /nfs/dbraw/zinc/05/67/56/966056756.db2.gz JEWDTXJPIWACSJ-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)C=C1CCC1 ZINC001484739318 966511203 /nfs/dbraw/zinc/51/12/03/966511203.db2.gz OYOBDWCNFAAWNK-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CC[NH2+]C1(C)CCN(C(=O)[C@H](C)CC)CC1 ZINC001484910150 966524435 /nfs/dbraw/zinc/52/44/35/966524435.db2.gz NRCAKGYOPQVDQM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C=C1CCC1 ZINC001485135535 966545679 /nfs/dbraw/zinc/54/56/79/966545679.db2.gz KBRUFHKTKKQLAF-VXGBXAGGSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C/C=C(\C)C=C ZINC001485180709 966557374 /nfs/dbraw/zinc/55/73/74/966557374.db2.gz GBSLPLLWFRJWQQ-NALFIARHSA-N 1 0 236.359 2.178 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000164526655 1165766595 /nfs/dbraw/zinc/76/65/95/1165766595.db2.gz ZLQWOAVEAKLHFJ-TZMCWYRMSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCCC[NH2+][C@@H](CCN(C)C(C)=O)C(C)C ZINC001485427797 966603136 /nfs/dbraw/zinc/60/31/36/966603136.db2.gz TUAUYYXGHOPDSZ-AWEZNQCLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001209208356 1165790680 /nfs/dbraw/zinc/79/06/80/1165790680.db2.gz RTMWARGHWIUROM-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C)C1 ZINC000692216163 966775125 /nfs/dbraw/zinc/77/51/25/966775125.db2.gz WQBJIOBTQFJGTH-HZSPNIEDSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001249956497 967196250 /nfs/dbraw/zinc/19/62/50/967196250.db2.gz GQDOMPJJOIDTOI-ZDUSSCGKSA-N 1 0 207.317 2.374 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C/C=C(/C)C=C)C1CC1 ZINC001266424905 1165830979 /nfs/dbraw/zinc/83/09/79/1165830979.db2.gz XJBQAKASNKNSTI-ZDWRTJATSA-N 1 0 248.370 2.179 20 30 BEEDRO N#CCC[NH2+][C@@H]1Cc2cccc(Cl)c2C1 ZINC001168680900 967293168 /nfs/dbraw/zinc/29/31/68/967293168.db2.gz XGZFUDVRVBDTTA-SNVBAGLBSA-N 1 0 220.703 2.310 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC001205744110 967808161 /nfs/dbraw/zinc/80/81/61/967808161.db2.gz GEFXTISOZQLNSI-SDDRHHMPSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(Cl)cn1 ZINC000703885094 967882382 /nfs/dbraw/zinc/88/23/82/967882382.db2.gz CPCBXYGDMOVBHZ-JTQLQIEISA-N 1 0 208.692 2.236 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C=C1CCC1 ZINC001670630461 1165976225 /nfs/dbraw/zinc/97/62/25/1165976225.db2.gz QVLIUFALZYCAHF-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@H](O)COCC ZINC001252025355 968448424 /nfs/dbraw/zinc/44/84/24/968448424.db2.gz BVGUOETXWRQVGH-ZDUSSCGKSA-N 1 0 231.380 2.286 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)C1(C)CC=CC1 ZINC001670687861 1165992116 /nfs/dbraw/zinc/99/21/16/1165992116.db2.gz YIBMVZAIEOMMTR-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)c(OC)n1)CC1CC1 ZINC001659026542 1165996949 /nfs/dbraw/zinc/99/69/49/1165996949.db2.gz AADZJRIWCSULID-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCCCCC ZINC000236714703 1166002388 /nfs/dbraw/zinc/00/23/88/1166002388.db2.gz SCHPNSSRVJAYJV-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C(C)(C)CO ZINC001252119919 968606086 /nfs/dbraw/zinc/60/60/86/968606086.db2.gz IZAMJQZVMJKDFN-ZDUSSCGKSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](CC)CO ZINC001252120044 968606373 /nfs/dbraw/zinc/60/63/73/968606373.db2.gz MFJLCOFYGVGVTH-KGLIPLIRSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1CCOC1 ZINC001252131794 968608314 /nfs/dbraw/zinc/60/83/14/968608314.db2.gz VVAZATXSWNXWQO-UONOGXRCSA-N 1 0 243.391 2.476 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](CCC)[C@@H](C)CC ZINC001252452821 968706952 /nfs/dbraw/zinc/70/69/52/968706952.db2.gz COQAMBIEDFSCSF-STQMWFEESA-N 1 0 229.364 2.060 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001207294738 968715140 /nfs/dbraw/zinc/71/51/40/968715140.db2.gz UOJMSAFJRUHPIB-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)CC(C)C ZINC001772542318 1166089282 /nfs/dbraw/zinc/08/92/82/1166089282.db2.gz RKNZOAUPJCEVEX-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C)CCCCC ZINC001252486702 968743739 /nfs/dbraw/zinc/74/37/39/968743739.db2.gz HFXPLKFFBLWHAY-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000390508414 1166113047 /nfs/dbraw/zinc/11/30/47/1166113047.db2.gz YHOOCOVZCKBCAL-SNVBAGLBSA-N 1 0 227.254 2.255 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccccc1C ZINC001252541546 968776574 /nfs/dbraw/zinc/77/65/74/968776574.db2.gz OIUPMVFUWWCLOW-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2ccccc21 ZINC001252572870 968821804 /nfs/dbraw/zinc/82/18/04/968821804.db2.gz VTNQSIBXKOXRFP-KGLIPLIRSA-N 1 0 217.312 2.201 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)c1ccccc1 ZINC001252573067 968822036 /nfs/dbraw/zinc/82/20/36/968822036.db2.gz YHDZSJLCGIULMZ-HNNXBMFYSA-N 1 0 233.355 2.491 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC001252612671 968870795 /nfs/dbraw/zinc/87/07/95/968870795.db2.gz QAILASKGFMLVNE-GHMZBOCLSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C=C(C)C)C1 ZINC001691207862 1166159980 /nfs/dbraw/zinc/15/99/80/1166159980.db2.gz HKWPYUCFXIAFPN-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)c1ccccc1 ZINC001691248888 1166170452 /nfs/dbraw/zinc/17/04/52/1166170452.db2.gz UVBORINGKOQKRI-UHFFFAOYSA-N 1 0 246.354 2.314 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)/C=C(/C)CC)C1 ZINC001207985880 968969032 /nfs/dbraw/zinc/96/90/32/968969032.db2.gz AZTFZHLGGDQOGW-UKVQZPPCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)F ZINC001754258110 1166193847 /nfs/dbraw/zinc/19/38/47/1166193847.db2.gz SLSLGLVHNKCFAR-QWRGUYRKSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CC[N@@H+](CCN(C)C)C1CCCCC1 ZINC001208129758 969024659 /nfs/dbraw/zinc/02/46/59/969024659.db2.gz FXWBZOJGQPTQKM-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C1CCCC1 ZINC001698810189 1166207484 /nfs/dbraw/zinc/20/74/84/1166207484.db2.gz BHJWTKVGLJDSDR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(NC(=O)CC(C)C)C1 ZINC001692165961 1166209660 /nfs/dbraw/zinc/20/96/60/1166209660.db2.gz YUXOHQGMFWHQCG-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)C)C1 ZINC001691422589 1166211895 /nfs/dbraw/zinc/21/18/95/1166211895.db2.gz IXZAINOIZXGGDS-BETUJISGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1CC1 ZINC001754299946 1166224831 /nfs/dbraw/zinc/22/48/31/1166224831.db2.gz ZSJRGHSNSVSUFI-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C[N@H+](C1CCOCC1)C1CCC(C#N)CC1 ZINC000258893780 1166230272 /nfs/dbraw/zinc/23/02/72/1166230272.db2.gz VRDWFWKHHCOLHD-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCCOC ZINC001253227228 969115014 /nfs/dbraw/zinc/11/50/14/969115014.db2.gz FMRZLUMJZPNZCL-CQSZACIVSA-N 1 0 243.391 2.500 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)COC ZINC001253228347 969115411 /nfs/dbraw/zinc/11/54/11/969115411.db2.gz SQVJESPPJCDYOI-KGLIPLIRSA-N 1 0 243.391 2.498 20 30 BEEDRO COC1(C[N@H+](CCC#N)CC2CC2)CCC1 ZINC000450464296 1166243587 /nfs/dbraw/zinc/24/35/87/1166243587.db2.gz XMWPEFBMSDRVMJ-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO CSCC[C@@H](C)[NH2+]CCCCC#N ZINC000228916097 1166265902 /nfs/dbraw/zinc/26/59/02/1166265902.db2.gz JPHOOTMEEGDYMN-SNVBAGLBSA-N 1 0 200.351 2.411 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2C)ccc1C#N ZINC000230207670 1166276074 /nfs/dbraw/zinc/27/60/74/1166276074.db2.gz FSFRLUBMNNSUTN-YGRLFVJLSA-N 1 0 230.311 2.244 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CCC)Cc1ccccc1 ZINC001253583025 969261911 /nfs/dbraw/zinc/26/19/11/969261911.db2.gz XNGYWJIOMWIPEX-AWEZNQCLSA-N 1 0 219.328 2.446 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](C[C@H]2CCC=CO2)CC1 ZINC001208880146 969264858 /nfs/dbraw/zinc/26/48/58/969264858.db2.gz MEBPJAOAVIGCOP-CHWSQXEVSA-N 1 0 220.316 2.305 20 30 BEEDRO [NH3+]Cc1cccn1-c1ccccc1CS ZINC001167595817 1166296939 /nfs/dbraw/zinc/29/69/39/1166296939.db2.gz MARDBQSZRPHLOO-UHFFFAOYSA-N 1 0 218.325 2.366 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC001253604548 969300860 /nfs/dbraw/zinc/30/08/60/969300860.db2.gz JXRJQJADAQCWPO-NWDGAFQWSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)Cc1ccc(Cl)cc1 ZINC001253605175 969301295 /nfs/dbraw/zinc/30/12/95/969301295.db2.gz OZZXUDGWJDMELD-ZWNOBZJWSA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1C ZINC001253606608 969304736 /nfs/dbraw/zinc/30/47/36/969304736.db2.gz KTLWIHQSUXWQOM-JQWIXIFHSA-N 1 0 223.291 2.332 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1sccc1Cl ZINC001253607697 969305967 /nfs/dbraw/zinc/30/59/67/969305967.db2.gz CYRSTECPPGHCEL-ZETCQYMHSA-N 1 0 217.721 2.038 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(=O)[C@H](F)CC1 ZINC001209201832 969387942 /nfs/dbraw/zinc/38/79/42/969387942.db2.gz URCPMHHQOQKZGA-LLVKDONJSA-N 1 0 213.296 2.346 20 30 BEEDRO C=CCCCCC[NH+]1CC2(CC(O)C2)C1 ZINC001209423629 969493002 /nfs/dbraw/zinc/49/30/02/969493002.db2.gz VLCNAJIDSORCNB-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](N(C)C(C)=O)C1 ZINC001209433050 969499851 /nfs/dbraw/zinc/49/98/51/969499851.db2.gz PFEBKZLPTWMBOF-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)/C(C)=C/CC ZINC001699085608 1166435847 /nfs/dbraw/zinc/43/58/47/1166435847.db2.gz SDAYXWPKAAAVIG-YQCJOKCJSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCN1CC[NH+](C2CCC(F)(F)CC2)CC1 ZINC001254220778 969545559 /nfs/dbraw/zinc/54/55/59/969545559.db2.gz LTRNAFZFXXBVKD-UHFFFAOYSA-N 1 0 244.329 2.368 20 30 BEEDRO COC1(C[N@H+](C)CC(C)(C)C#N)CCC1 ZINC000451067935 1166459408 /nfs/dbraw/zinc/45/94/08/1166459408.db2.gz XPPCWHLOIAAZFK-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254660220 969772964 /nfs/dbraw/zinc/77/29/64/969772964.db2.gz GRZRWHVFCMYNGM-RDBSUJKOSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254673887 969780043 /nfs/dbraw/zinc/78/00/43/969780043.db2.gz QNJGUSPHSBBYFJ-UPJWGTAASA-N 1 0 220.316 2.122 20 30 BEEDRO N#CCCCC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254923695 969821484 /nfs/dbraw/zinc/82/14/84/969821484.db2.gz FPGAAWMHIAWKDY-GHMZBOCLSA-N 1 0 220.316 2.028 20 30 BEEDRO C=CCNC(=O)C[NH2+]C(CC(C)C)CC(C)C ZINC000393847787 1166541616 /nfs/dbraw/zinc/54/16/16/1166541616.db2.gz BJRZOOJQHRUEFZ-UHFFFAOYSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@@H](CO)Nc1cc(OC(C)(C)C)cc[nH+]1 ZINC001169786389 969861927 /nfs/dbraw/zinc/86/19/27/969861927.db2.gz CWYNKCUNSUPNIP-JTQLQIEISA-N 1 0 236.315 2.218 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001255161248 969970429 /nfs/dbraw/zinc/97/04/29/969970429.db2.gz WQMRSZCBTWDWLT-CHWSQXEVSA-N 1 0 235.375 2.285 20 30 BEEDRO CC[C@H](CC#N)N(C(C)C)C(C)(C)C[NH3+] ZINC001255163066 969971770 /nfs/dbraw/zinc/97/17/70/969971770.db2.gz BKHHEGHYQRSBNG-LLVKDONJSA-N 1 0 211.353 2.126 20 30 BEEDRO CCOCC1CC[NH+]([C@H](CC)CC#N)CC1 ZINC001255175198 969993864 /nfs/dbraw/zinc/99/38/64/969993864.db2.gz NQGDDRAFJGEYTB-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H](C)CCCC ZINC001255312532 970079629 /nfs/dbraw/zinc/07/96/29/970079629.db2.gz QUDNJBDQERJLAA-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCN(C(=O)CCC)CC1 ZINC001112597118 970100828 /nfs/dbraw/zinc/10/08/28/970100828.db2.gz HEHLKLFUXJIKPZ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[NH+]1CCC(Oc2ccc(F)cc2C#N)CC1 ZINC000111037240 1166617108 /nfs/dbraw/zinc/61/71/08/1166617108.db2.gz COQTZWWKASONHO-UHFFFAOYSA-N 1 0 234.274 2.170 20 30 BEEDRO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C)CC#N)C1 ZINC001255354442 970121829 /nfs/dbraw/zinc/12/18/29/970121829.db2.gz SYMRDDXKFWNFQN-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000695658805 1166659199 /nfs/dbraw/zinc/65/91/99/1166659199.db2.gz PQQZNYYJFMOMRX-JTQLQIEISA-N 1 0 217.740 2.329 20 30 BEEDRO CCCCN(CCC#N)[C@@H]1CCC[N@H+](C)C1 ZINC001255485828 970237142 /nfs/dbraw/zinc/23/71/42/970237142.db2.gz GWZRYDQAVNKMKM-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CC[C@H](COC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787492 1166684553 /nfs/dbraw/zinc/68/45/53/1166684553.db2.gz NROGRZFNEVAIDO-WDEREUQCSA-N 1 0 212.337 2.329 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCOC(C)(C)C2)CC1 ZINC001255555638 970329533 /nfs/dbraw/zinc/32/95/33/970329533.db2.gz ZBRDTROUXLFWLY-ZDUSSCGKSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC001170176277 970547926 /nfs/dbraw/zinc/54/79/26/970547926.db2.gz VAAPHKLTLQCOHC-RWMBFGLXSA-N 1 0 209.333 2.336 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[NH2+]CC(C)C ZINC001713331245 1166803474 /nfs/dbraw/zinc/80/34/74/1166803474.db2.gz KAFRSJMRZLFUBY-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001713331247 1166803567 /nfs/dbraw/zinc/80/35/67/1166803567.db2.gz KAFRSJMRZLFUBY-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C(C)C)CCCC1 ZINC001714487130 1166809871 /nfs/dbraw/zinc/80/98/71/1166809871.db2.gz AAXLIOAYPYCOIU-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO FC(F)CC[NH2+]CC#Cc1ccccc1 ZINC000380121895 1166833046 /nfs/dbraw/zinc/83/30/46/1166833046.db2.gz UXFIBAHDXVDQRV-UHFFFAOYSA-N 1 0 209.239 2.283 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](CC(C)C)NC(C)=O ZINC001268102204 1166846881 /nfs/dbraw/zinc/84/68/81/1166846881.db2.gz RBYGCOFAYAHFTG-CYBMUJFWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(C)=O ZINC001268102205 1166847196 /nfs/dbraw/zinc/84/71/96/1166847196.db2.gz RBYGCOFAYAHFTG-ZDUSSCGKSA-N 1 0 226.364 2.093 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1C[C@@H](F)C[C@H]1C#N ZINC001255972252 970606608 /nfs/dbraw/zinc/60/66/08/970606608.db2.gz OEFDTOYYXHRWDI-AVGNSLFASA-N 1 0 241.354 2.043 20 30 BEEDRO C=CCCCC(=O)NC[C@H]([NH2+]C(C)C)C1CC1 ZINC001752479635 1166860586 /nfs/dbraw/zinc/86/05/86/1166860586.db2.gz HHOULWOISNBNQX-ZDUSSCGKSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256151003 970675510 /nfs/dbraw/zinc/67/55/10/970675510.db2.gz LBKZZGNMPKBTKF-GFCCVEGCSA-N 1 0 217.312 2.239 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001753692362 1166907759 /nfs/dbraw/zinc/90/77/59/1166907759.db2.gz CXJXWXAVPVWRBO-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2C#N)C1 ZINC000304415532 1166917968 /nfs/dbraw/zinc/91/79/68/1166917968.db2.gz DEJQYEIKROMYDR-SECBINFHSA-N 1 0 236.702 2.295 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]C[C@@H](F)CC ZINC001752876890 1166947683 /nfs/dbraw/zinc/94/76/83/1166947683.db2.gz IPDZFZQRLVLHDJ-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C#CC[NH2+]C1(c2ccccc2OC)CCC1 ZINC000381595459 1166951366 /nfs/dbraw/zinc/95/13/66/1166951366.db2.gz LLECEGSYDRSNQH-UHFFFAOYSA-N 1 0 215.296 2.297 20 30 BEEDRO CC(C)(S)CNc1ccccc1CC[NH3+] ZINC001170307195 970717840 /nfs/dbraw/zinc/71/78/40/970717840.db2.gz PFBLEFWVNUBNJD-UHFFFAOYSA-N 1 0 224.373 2.308 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H](C)CCC(C)C ZINC001256354463 970750471 /nfs/dbraw/zinc/75/04/71/970750471.db2.gz IYXBOFFPVBANRD-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1CCC ZINC001268748361 1166984825 /nfs/dbraw/zinc/98/48/25/1166984825.db2.gz YINSOKVATNJMBB-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C)cc1 ZINC001268754958 1166985815 /nfs/dbraw/zinc/98/58/15/1166985815.db2.gz NDWNBZAFGUOWFV-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)CCC1(C)CC1 ZINC001268752853 1166985265 /nfs/dbraw/zinc/98/52/65/1166985265.db2.gz MOLUAKXMXCQFQK-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001269908488 1167024438 /nfs/dbraw/zinc/02/44/38/1167024438.db2.gz ZSNDZJLSZJDMEJ-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000398105424 1167042084 /nfs/dbraw/zinc/04/20/84/1167042084.db2.gz ZEUPIASTKTVZTF-AVGNSLFASA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]cc1CO ZINC000894610801 1167075312 /nfs/dbraw/zinc/07/53/12/1167075312.db2.gz QMHZALJNRQLQNA-BETUJISGSA-N 1 0 230.311 2.261 20 30 BEEDRO CCC[C@@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173329662 975279589 /nfs/dbraw/zinc/27/95/89/975279589.db2.gz LBQOLJHKKWJLES-BPCQOVAHSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)(O)CC[NH2+]C1CCC(CC#N)CC1 ZINC001173327707 975276779 /nfs/dbraw/zinc/27/67/79/975276779.db2.gz GYRKYUOADSCWKT-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO N#CCC1CCC([N@H+]2CCCC[C@@H]2CO)CC1 ZINC001173332687 975281985 /nfs/dbraw/zinc/28/19/85/975281985.db2.gz QZOLWGJEVMYBJP-JXQTWKCFSA-N 1 0 236.359 2.306 20 30 BEEDRO C[N@H+]([C@@H]1CCOC1)C1CCC(CC#N)CC1 ZINC001173339059 975285094 /nfs/dbraw/zinc/28/50/94/975285094.db2.gz KNUCNCWPSIJQSU-WXRRBKDZSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOC1CCC([NH2+]CC2CC(=O)C2)CC1 ZINC001173315985 975305705 /nfs/dbraw/zinc/30/57/05/975305705.db2.gz UPCZBDTYXQYDBP-UHFFFAOYSA-N 1 0 237.343 2.069 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC001332879812 975306552 /nfs/dbraw/zinc/30/65/52/975306552.db2.gz CRBLFODEKYYVSK-CABZTGNLSA-N 1 0 239.290 2.383 20 30 BEEDRO CCO[C@@H]1CCC[N@@H+]([C@H](CC)CC#N)C1 ZINC000251321559 1167128668 /nfs/dbraw/zinc/12/86/68/1167128668.db2.gz GXRDBXUNTLARCQ-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173442067 975375023 /nfs/dbraw/zinc/37/50/23/975375023.db2.gz ZEQTYKFJEVCVDJ-VXGBXAGGSA-N 1 0 240.347 2.390 20 30 BEEDRO C#CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000307740101 1167159457 /nfs/dbraw/zinc/15/94/57/1167159457.db2.gz MQJBEZAJDBHIRA-ZBFHGGJFSA-N 1 0 242.366 2.262 20 30 BEEDRO CCOC(=O)C[C@H]1CC[C@@H]([NH2+][C@@H](C)CC#N)C1 ZINC001173650997 975513424 /nfs/dbraw/zinc/51/34/24/975513424.db2.gz JUBHPYUNXYIPFR-SDDRHHMPSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)C1CCSCC1 ZINC000308901732 1167217485 /nfs/dbraw/zinc/21/74/85/1167217485.db2.gz BNBILQVIKDTTEM-ZYHUDNBSSA-N 1 0 229.389 2.309 20 30 BEEDRO C#CCC1([NH2+]CC2CCC(O)CC2)CCC1 ZINC001333381000 975732792 /nfs/dbraw/zinc/73/27/92/975732792.db2.gz IOQHGLZZOKBVGH-UHFFFAOYSA-N 1 0 221.344 2.073 20 30 BEEDRO C=CC[N@H+](C)CCc1nccc(C(F)(F)F)n1 ZINC001333940631 976175205 /nfs/dbraw/zinc/17/52/05/976175205.db2.gz PTDSCFSLHGXRQZ-UHFFFAOYSA-N 1 0 245.248 2.156 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc2c[nH]nc21 ZINC000309357643 1167297067 /nfs/dbraw/zinc/29/70/67/1167297067.db2.gz OEGVKCYLBAFKKE-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO C=C[C@H](COC)[NH2+]C/C=C/c1ccccc1 ZINC000309421580 1167303387 /nfs/dbraw/zinc/30/33/87/1167303387.db2.gz DQSQLRBNGYMTFS-DNGMOHDESA-N 1 0 217.312 2.490 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H](C)CCCC ZINC001126578642 1167335212 /nfs/dbraw/zinc/33/52/12/1167335212.db2.gz DWWKNBKWMQPMBC-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC000310094122 1167410985 /nfs/dbraw/zinc/41/09/85/1167410985.db2.gz TZRZESYFKOIMNK-RISCZKNCSA-N 1 0 230.311 2.477 20 30 BEEDRO CCCCCCCCNC(=O)[C@@H](F)C1C[NH2+]C1 ZINC000310166790 1167427828 /nfs/dbraw/zinc/42/78/28/1167427828.db2.gz SIXJKEMCWFDLOK-LBPRGKRZSA-N 1 0 244.354 2.021 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)C(C)(CC)CC ZINC001691611435 1167521733 /nfs/dbraw/zinc/52/17/33/1167521733.db2.gz UFLVKMGJQVGCQM-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO N#CCC1CC[NH+](Cc2cnsc2)CC1 ZINC001232226921 977956895 /nfs/dbraw/zinc/95/68/95/977956895.db2.gz GBGIOCWVQQCJNE-UHFFFAOYSA-N 1 0 221.329 2.269 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232267561 977988014 /nfs/dbraw/zinc/98/80/14/977988014.db2.gz JOIVEXQFGVTHLI-UHFFFAOYSA-N 1 0 227.691 2.369 20 30 BEEDRO C#CCN(C)CCC[NH2+]C[C@@H](C)C(C)(C)C ZINC000327981259 978003105 /nfs/dbraw/zinc/00/31/05/978003105.db2.gz AARKZOWEGNYSED-CYBMUJFWSA-N 1 0 224.392 2.213 20 30 BEEDRO CCCCCCCC(=O)N(C)CCC[NH3+] ZINC000059082155 1167653359 /nfs/dbraw/zinc/65/33/59/1167653359.db2.gz FZZVZNPTCFSABT-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@H](O)CCC(C)C ZINC001120596778 1167685159 /nfs/dbraw/zinc/68/51/59/1167685159.db2.gz YOGDVESCUYXISP-CHWSQXEVSA-N 1 0 211.349 2.175 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](CC)CC(C)C ZINC001752912045 1167764380 /nfs/dbraw/zinc/76/43/80/1167764380.db2.gz YYMPIFIGUTWZAJ-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233047235 978435603 /nfs/dbraw/zinc/43/56/03/978435603.db2.gz SPUSILJQZXFXRY-NSHDSACASA-N 1 0 203.289 2.261 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC001178130744 978514866 /nfs/dbraw/zinc/51/48/66/978514866.db2.gz IEHQVIDHJYNHBB-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO COC1(C[NH+]2CCC(C)(C#N)CC2)CCC1 ZINC000334797955 1167829502 /nfs/dbraw/zinc/82/95/02/1167829502.db2.gz MOKSPTANWOBNTL-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC000721995812 978597404 /nfs/dbraw/zinc/59/74/04/978597404.db2.gz HDNZUJWJWLWNHM-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](CC)Cc1cccs1 ZINC001338287635 978652059 /nfs/dbraw/zinc/65/20/59/978652059.db2.gz GJDDRSXVQIEJQP-VXGBXAGGSA-N 1 0 237.368 2.043 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC001179489995 978711559 /nfs/dbraw/zinc/71/15/59/978711559.db2.gz ZVMBSTZZFVRNBQ-RDBSUJKOSA-N 1 0 221.344 2.095 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)CCCC ZINC001234051476 978764399 /nfs/dbraw/zinc/76/43/99/978764399.db2.gz DAIJCPFJIHXHJW-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H](C)CC ZINC001234126891 978781108 /nfs/dbraw/zinc/78/11/08/978781108.db2.gz QERGQXLHXXRPGJ-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO CCCCCCCCN1CCOCC12C[NH2+]C2 ZINC001235014045 978952357 /nfs/dbraw/zinc/95/23/57/978952357.db2.gz FAVUTRJYLOEXKH-UHFFFAOYSA-N 1 0 240.391 2.021 20 30 BEEDRO CCCCCCCCN1C[C@H]2C[C@@H](C1)[NH2+]2 ZINC001235415535 979040644 /nfs/dbraw/zinc/04/06/44/979040644.db2.gz ZLOWMPVEZWFYTH-BETUJISGSA-N 1 0 210.365 2.393 20 30 BEEDRO CCCCCCCCCN1CC[NH2+]C[C@@H]1CO ZINC001235442389 979044938 /nfs/dbraw/zinc/04/49/38/979044938.db2.gz LAZGBBGZNMOBCQ-CQSZACIVSA-N 1 0 242.407 2.003 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)C/C=C\Cl ZINC001235464656 979049815 /nfs/dbraw/zinc/04/98/15/979049815.db2.gz MHDGYNNBHDPWMG-YVMONPNESA-N 1 0 244.766 2.143 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C(C)C)C1 ZINC001340769079 979100547 /nfs/dbraw/zinc/10/05/47/979100547.db2.gz TYPIVSUFVJASQD-STQMWFEESA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H](C)C(C)C)C1 ZINC001181517366 979158159 /nfs/dbraw/zinc/15/81/59/979158159.db2.gz KZIWUKJCGCHOLA-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001181954997 979383524 /nfs/dbraw/zinc/38/35/24/979383524.db2.gz DRWKZHJCCZGBME-LLVKDONJSA-N 1 0 240.322 2.016 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CCC(C)C ZINC001484988753 1168240522 /nfs/dbraw/zinc/24/05/22/1168240522.db2.gz VYODAKQRCOBZFP-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CCCC)C1 ZINC001182268920 979483608 /nfs/dbraw/zinc/48/36/08/979483608.db2.gz YXELQECNYWCNFX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@H]2C[C@@H](C1)[NH2+]2 ZINC001239331123 1168272663 /nfs/dbraw/zinc/27/26/63/1168272663.db2.gz HUBVIGIRDWGVLP-TXEJJXNPSA-N 1 0 240.347 2.140 20 30 BEEDRO C=CCCCCN(CCOC)[C@H]1CCC[NH2+]C1 ZINC001236327059 979534959 /nfs/dbraw/zinc/53/49/59/979534959.db2.gz JAWNRNOVYHXQAE-AWEZNQCLSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CC(C)(C)CC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC001341780596 979557634 /nfs/dbraw/zinc/55/76/34/979557634.db2.gz MIGLTCGGTLYVEZ-IJLUTSLNSA-N 1 0 238.375 2.186 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001341980876 979604684 /nfs/dbraw/zinc/60/46/84/979604684.db2.gz GVDFTYCTBNDKLO-CQSZACIVSA-N 1 0 236.359 2.087 20 30 BEEDRO CCCCN(O)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001649061589 1168292798 /nfs/dbraw/zinc/29/27/98/1168292798.db2.gz SGSJLCNBJLEYAB-GRYCIOLGSA-N 1 0 242.363 2.266 20 30 BEEDRO OCc1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001203189329 979659155 /nfs/dbraw/zinc/65/91/55/979659155.db2.gz SKWQXMSTAZVUGZ-UHFFFAOYSA-N 1 0 237.368 2.073 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC1CC[NH2+]CC1 ZINC001342160306 979682427 /nfs/dbraw/zinc/68/24/27/979682427.db2.gz RWMCTZCAQANVLH-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[C@H]([NH3+])CC(C)C ZINC001342198666 979705967 /nfs/dbraw/zinc/70/59/67/979705967.db2.gz DMNXEJBHXXSGSV-GFCCVEGCSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCCCN(CC)C(=O)C[C@@H]1C[NH2+]C[C@H]1C ZINC001342256315 979737987 /nfs/dbraw/zinc/73/79/87/979737987.db2.gz OLXPATABGYFTGP-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000085325373 1168332633 /nfs/dbraw/zinc/33/26/33/1168332633.db2.gz IAMGZIBJLOCMED-BDJLRTHQSA-N 1 0 237.368 2.478 20 30 BEEDRO CC(C)([NH3+])CCC(=O)Nc1ccc(F)c(C#N)c1 ZINC000070088366 1168377214 /nfs/dbraw/zinc/37/72/14/1168377214.db2.gz QJLKBPOPVUHNNW-UHFFFAOYSA-N 1 0 249.289 2.153 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1c1ccc(NCC#N)nc1 ZINC001163181894 1168402867 /nfs/dbraw/zinc/40/28/67/1168402867.db2.gz ACTLVEDSXWZACC-GFCCVEGCSA-N 1 0 230.315 2.174 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn(C(C)C)c2)CC1 ZINC000843426974 1168401003 /nfs/dbraw/zinc/40/10/03/1168401003.db2.gz PJCJFYSEKANBDG-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)cc(C)c1O ZINC001238062807 980132685 /nfs/dbraw/zinc/13/26/85/980132685.db2.gz RUIRTBSTPAINNB-UHFFFAOYSA-N 1 0 209.264 2.458 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH2+]C(C)C)[C@H]1C ZINC001278264100 980306104 /nfs/dbraw/zinc/30/61/04/980306104.db2.gz OWRYFYOTFCOHDT-CHWSQXEVSA-N 1 0 238.375 2.330 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@H]([NH3+])[C@@H](F)C1 ZINC001239326726 980532569 /nfs/dbraw/zinc/53/25/69/980532569.db2.gz MFILCMZRUAXEMQ-QWRGUYRKSA-N 1 0 246.326 2.074 20 30 BEEDRO CCCCCCCOC(=O)N1CC[C@@H]1[NH2+]C ZINC001239335275 980542119 /nfs/dbraw/zinc/54/21/19/980542119.db2.gz MGJMDIMSBRCIHL-LLVKDONJSA-N 1 0 228.336 2.345 20 30 BEEDRO CCCCCCCNC(=S)NCCC[NH2+]C ZINC001239354794 980548009 /nfs/dbraw/zinc/54/80/09/980548009.db2.gz IKLBULKOZXCVAR-UHFFFAOYSA-N 1 0 245.436 2.030 20 30 BEEDRO C=C(C)CCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001345201888 980583865 /nfs/dbraw/zinc/58/38/65/980583865.db2.gz YKIAVBPPWKZQTL-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCOCC)cc1 ZINC000809683432 1168557030 /nfs/dbraw/zinc/55/70/30/1168557030.db2.gz CVZZBKVAYGWQSZ-LBPRGKRZSA-N 1 0 233.311 2.171 20 30 BEEDRO CCCCCCCC(=O)N[C@@H]1C[NH2+]CC12CC2 ZINC001346463458 980844302 /nfs/dbraw/zinc/84/43/02/980844302.db2.gz ZWXJIPIZJFSFIG-GFCCVEGCSA-N 1 0 238.375 2.215 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C)[C@H](C[NH2+]CC)C1 ZINC001132701482 1168566300 /nfs/dbraw/zinc/56/63/00/1168566300.db2.gz SBPBJTOHJRFFFB-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC=C ZINC001133885271 1168579619 /nfs/dbraw/zinc/57/96/19/1168579619.db2.gz YNASHDMGDYBGMQ-CHWSQXEVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC ZINC001134476635 1168590049 /nfs/dbraw/zinc/59/00/49/1168590049.db2.gz VOAGGBQQDHADHB-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO N#CCC1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001173328351 1168686048 /nfs/dbraw/zinc/68/60/48/1168686048.db2.gz XOCVBSUSNBFHJO-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(CC#N)CC1)C(C)(C)O ZINC001173333798 1168688382 /nfs/dbraw/zinc/68/83/82/1168688382.db2.gz RFVCPKDLJDAQHH-VOMCLLRMSA-N 1 0 224.348 2.208 20 30 BEEDRO N#CCC1CCC([N@@H+]2C=C(N)C=CC2)CC1 ZINC001173334270 1168687954 /nfs/dbraw/zinc/68/79/54/1168687954.db2.gz OYLGUESFWDXPFZ-UHFFFAOYSA-N 1 0 217.316 2.131 20 30 BEEDRO C=CCOC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC001194318721 981655899 /nfs/dbraw/zinc/65/58/99/981655899.db2.gz KNACZSFBCFTQHK-UHFFFAOYSA-N 1 0 234.299 2.483 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@@H](C)CC ZINC001177899617 1168716883 /nfs/dbraw/zinc/71/68/83/1168716883.db2.gz XUMGWTXYCYNUHP-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@H](C)CC ZINC001177899609 1168717058 /nfs/dbraw/zinc/71/70/58/1168717058.db2.gz XUMGWTXYCYNUHP-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO N#CCCC[N@@H+]1CCCC[C@H]1[C@@H]1CCCO1 ZINC001198686070 1168826328 /nfs/dbraw/zinc/82/63/28/1168826328.db2.gz QZFCQSAJEOXFFD-STQMWFEESA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCOCC[N@@H+]1CCCC[C@H]1[C@H]1CCCO1 ZINC001198686269 1168826698 /nfs/dbraw/zinc/82/66/98/1168826698.db2.gz TVHFIXAMMBHQAF-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001198686300 1168825804 /nfs/dbraw/zinc/82/58/04/1168825804.db2.gz UKUNLKGJZBXIAB-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C#CCC[N@H+](CC/C=C\CC)CCOC ZINC000852749271 1168863660 /nfs/dbraw/zinc/86/36/60/1168863660.db2.gz URLGLAKHZZBETJ-VURMDHGXSA-N 1 0 209.333 2.314 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H](C)CCCCCC ZINC001252487969 1168874335 /nfs/dbraw/zinc/87/43/35/1168874335.db2.gz CRRUFKHEQBNZOM-UONOGXRCSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CC1(C)COC1 ZINC001198406855 982709199 /nfs/dbraw/zinc/70/91/99/982709199.db2.gz NOHGHFBUTYSCKV-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC000862445358 1168884569 /nfs/dbraw/zinc/88/45/69/1168884569.db2.gz RICTYZZIMPLICX-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1nc(C)cs1 ZINC001252573447 1168888626 /nfs/dbraw/zinc/88/86/26/1168888626.db2.gz DVDUAZNRNMSLDD-ONGXEEELSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCOc1ccccc1C ZINC001252573041 1168889048 /nfs/dbraw/zinc/88/90/48/1168889048.db2.gz XRLWQBAFEUBTMY-HNNXBMFYSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1nccc2ccccc21 ZINC001252574017 1168889451 /nfs/dbraw/zinc/88/94/51/1168889451.db2.gz KQGZHFNMKSTFGX-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCC[C@H]1C ZINC000379927000 1168926264 /nfs/dbraw/zinc/92/62/64/1168926264.db2.gz ULAUGTICVUUMPQ-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)CCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC001353776357 982995903 /nfs/dbraw/zinc/99/59/03/982995903.db2.gz ILCPCPWOEZIRIT-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H]1CCCC(C)(C)C1 ZINC001152823030 983116748 /nfs/dbraw/zinc/11/67/48/983116748.db2.gz RSWKBKKQZZRGSK-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ncc(C3CC3)o2)C1 ZINC000886363060 1168981148 /nfs/dbraw/zinc/98/11/48/1168981148.db2.gz YUEKRENOYSESJH-NSHDSACASA-N 1 0 230.311 2.397 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2ncc(C)o2)C1 ZINC000886362699 1168981348 /nfs/dbraw/zinc/98/13/48/1168981348.db2.gz JTRXWJGWSAZJKM-NWDGAFQWSA-N 1 0 218.300 2.389 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000886362952 1168982103 /nfs/dbraw/zinc/98/21/03/1168982103.db2.gz UJTXFDGJRJNTQR-OLZOCXBDSA-N 1 0 214.312 2.488 20 30 BEEDRO C#Cc1ccc(NCC[N@@H+](CC)C(C)C)nc1 ZINC001354102498 983156158 /nfs/dbraw/zinc/15/61/58/983156158.db2.gz SHZWTXMUDADFAW-UHFFFAOYSA-N 1 0 231.343 2.205 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000717700036 1168991695 /nfs/dbraw/zinc/99/16/95/1168991695.db2.gz UOGTWKYGQZLAGZ-UONOGXRCSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CCCCC(=O)N(C)C[C@@H](C)[NH2+]CCCC ZINC001676341653 1168995155 /nfs/dbraw/zinc/99/51/55/1168995155.db2.gz IRFOIHPTQORUDK-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H](C)C(C)C ZINC001274414020 1169028384 /nfs/dbraw/zinc/02/83/84/1169028384.db2.gz QJKNTGSECBNGBF-YBJDMEARSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@@H](CC)CCC ZINC001257246122 1169071440 /nfs/dbraw/zinc/07/14/40/1169071440.db2.gz CCWGKBZRNUGUNR-NSHDSACASA-N 1 0 213.321 2.274 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001202084687 983552451 /nfs/dbraw/zinc/55/24/51/983552451.db2.gz HSQDINBCYHKJHJ-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000686676580 1169108704 /nfs/dbraw/zinc/10/87/04/1169108704.db2.gz XZUWBYHHEKLAEK-UONOGXRCSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCCCC[N@@H+](CCO)CCCC ZINC000686681819 1169110900 /nfs/dbraw/zinc/11/09/00/1169110900.db2.gz VYJYGLIYYTZLIG-UHFFFAOYSA-N 1 0 211.349 2.274 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001488846141 983697458 /nfs/dbraw/zinc/69/74/58/983697458.db2.gz FNQBBMGWKXGYHO-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001490255723 983717365 /nfs/dbraw/zinc/71/73/65/983717365.db2.gz HNRJHOWXHKYDMU-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]C1CC(CNC(=O)C=C(C)C)C1 ZINC001489374841 983713539 /nfs/dbraw/zinc/71/35/39/983713539.db2.gz VXTAWVBFTQTFKP-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccncc1F ZINC000852103600 983754698 /nfs/dbraw/zinc/75/46/98/983754698.db2.gz LTIVYBBKSWJNAO-GFCCVEGCSA-N 1 0 206.264 2.112 20 30 BEEDRO C=C(C)CCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC001357901948 983803845 /nfs/dbraw/zinc/80/38/45/983803845.db2.gz YNTUJLFUQATROL-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]CCC1CCCCC1 ZINC001252483532 983797256 /nfs/dbraw/zinc/79/72/56/983797256.db2.gz VJXTZVUOFRNKBN-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1cccnc1 ZINC001252616289 983851203 /nfs/dbraw/zinc/85/12/03/983851203.db2.gz NHGCNRCTLJOISA-UONOGXRCSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCCC[C@H]1c1cccnc1 ZINC001253580123 1169207210 /nfs/dbraw/zinc/20/72/10/1169207210.db2.gz AALKNMUNZPCXSK-KBPBESRZSA-N 1 0 232.327 2.156 20 30 BEEDRO N#C[C@@H]1CC[C@@H](n2cnc3ccc(C[NH3+])cc32)C1 ZINC001254643128 1169236157 /nfs/dbraw/zinc/23/61/57/1169236157.db2.gz MRHGRTSOLVLQFK-ZYHUDNBSSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001254648933 1169237090 /nfs/dbraw/zinc/23/70/90/1169237090.db2.gz PDKLYSBIGOUVNM-MISXGVKJSA-N 1 0 248.301 2.141 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC001172414810 974682992 /nfs/dbraw/zinc/68/29/92/974682992.db2.gz HPAHLHXONLFVQN-SNVBAGLBSA-N 1 0 222.288 2.056 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001331330633 974684600 /nfs/dbraw/zinc/68/46/00/974684600.db2.gz PNIWUEZEYYPSMQ-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001172429110 974705444 /nfs/dbraw/zinc/70/54/44/974705444.db2.gz SUMSZUHNDYAWRS-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCOCC[C@H](C)[NH+]1CCC(CC#N)CC1 ZINC001172429341 974706422 /nfs/dbraw/zinc/70/64/22/974706422.db2.gz WTDHITQPCLRIOI-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC1CCC1 ZINC001491421762 1169276245 /nfs/dbraw/zinc/27/62/45/1169276245.db2.gz DBHWCXLTTGTDHJ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](CC)CC(C)C)CC1 ZINC001172402167 974764353 /nfs/dbraw/zinc/76/43/53/974764353.db2.gz JTJXTSPMTPFLAE-AWEZNQCLSA-N 1 0 222.376 2.062 20 30 BEEDRO CC(C)COCC[C@H](C)[N@@H+]1CC[C@@H](C#N)C1 ZINC001172475482 974769386 /nfs/dbraw/zinc/76/93/86/974769386.db2.gz JWOOQHNQPBRXIW-STQMWFEESA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1nccs1 ZINC001172476659 974773868 /nfs/dbraw/zinc/77/38/68/974773868.db2.gz PMCAGIQGRYGWOC-VIFPVBQESA-N 1 0 209.318 2.315 20 30 BEEDRO COc1cc(C[NH2+][C@H](C)CCCC#N)ccn1 ZINC001172477123 974774924 /nfs/dbraw/zinc/77/49/24/974774924.db2.gz VUSKDZPIJSKJAV-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@H](CCCC#N)n1ccnc1[C@H](C)[NH3+] ZINC001172477266 974775370 /nfs/dbraw/zinc/77/53/70/974775370.db2.gz YBXBOISDRORDNI-ZJUUUORDSA-N 1 0 206.293 2.158 20 30 BEEDRO CCSCC[NH2+][C@H](C)CCCC#N ZINC001172478545 974776292 /nfs/dbraw/zinc/77/62/92/974776292.db2.gz DAMXZWIVBURHTG-SNVBAGLBSA-N 1 0 200.351 2.411 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC001116643436 1169302495 /nfs/dbraw/zinc/30/24/95/1169302495.db2.gz CXADCUDSVMVPRZ-OCCSQVGLSA-N 1 0 249.354 2.417 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1cncnc1 ZINC001172482278 974783380 /nfs/dbraw/zinc/78/33/80/974783380.db2.gz DQIKGDNJPMAWLF-QWRGUYRKSA-N 1 0 218.304 2.210 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC(C)(C)S ZINC001172485495 974788392 /nfs/dbraw/zinc/78/83/92/974788392.db2.gz QRLPPVWLDNDHNK-SECBINFHSA-N 1 0 200.351 2.367 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3OCCC[C@@H]3C2)C1 ZINC001117746033 1169304585 /nfs/dbraw/zinc/30/45/85/1169304585.db2.gz PDWNQAKNQYVGCJ-MQYQWHSLSA-N 1 0 234.343 2.180 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H](O)c1cccc2ccccc21 ZINC001120583240 1169321570 /nfs/dbraw/zinc/32/15/70/1169321570.db2.gz OKKGEZGTCYRUMU-LRDDRELGSA-N 1 0 239.318 2.485 20 30 BEEDRO C[C@H]1CC[C@H](CN)[N@@H+](C2CCC(C#N)CC2)C1 ZINC001246555511 972754229 /nfs/dbraw/zinc/75/42/29/972754229.db2.gz HBAUVLWIANXTJQ-GFJIZPEISA-N 1 0 235.375 2.128 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[C@H](C)[NH2+]CCC ZINC001328352596 972987809 /nfs/dbraw/zinc/98/78/09/972987809.db2.gz RIRKAGRNSXGIQL-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC001328394143 973016521 /nfs/dbraw/zinc/01/65/21/973016521.db2.gz NGUGWGOAGSRASK-BTTYYORXSA-N 1 0 203.329 2.378 20 30 BEEDRO C[C@@H]1C[NH2+]CCC[C@@H]1CNc1ncccc1C#N ZINC001155021277 1169418821 /nfs/dbraw/zinc/41/88/21/1169418821.db2.gz VNIPQPXKGRKIGQ-DGCLKSJQSA-N 1 0 244.342 2.001 20 30 BEEDRO C#CC[N@@H+](Cc1ccnc(F)c1)CC1CC1 ZINC001328833229 973365737 /nfs/dbraw/zinc/36/57/37/973365737.db2.gz BOABSZGSANZUTJ-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC1CC(C[NH2+]CC)C1 ZINC001328912477 973389037 /nfs/dbraw/zinc/38/90/37/973389037.db2.gz QVJWORGYEJEAKQ-YIZWMMSDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC1CC1 ZINC001328972448 973404937 /nfs/dbraw/zinc/40/49/37/973404937.db2.gz YPTBVAITPUHKGX-ZJUUUORDSA-N 1 0 244.766 2.022 20 30 BEEDRO C=C(C)CCCOC1CC[NH+](CCOC)CC1 ZINC001224280696 973504593 /nfs/dbraw/zinc/50/45/93/973504593.db2.gz CSOMWNYBIZLQLN-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO CC(=O)C=C(C)Nc1c[nH+]cc2cc[nH]c21 ZINC001163738667 1169454583 /nfs/dbraw/zinc/45/45/83/1169454583.db2.gz CAHKOZIHXIDKDT-YVMONPNESA-N 1 0 215.256 2.468 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH+]1CCC(C#N)CC1 ZINC001256408808 970816855 /nfs/dbraw/zinc/81/68/55/970816855.db2.gz DSEDLYPKAAEJGR-LBPRGKRZSA-N 1 0 229.327 2.248 20 30 BEEDRO CCOC1CCC([N@H+](C)CCC#N)CC1 ZINC001256438034 970840421 /nfs/dbraw/zinc/84/04/21/970840421.db2.gz YXRDDFMWIKKYBS-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C#CC[N@@H+](C)[C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170450817 970847146 /nfs/dbraw/zinc/84/71/46/970847146.db2.gz VOMMEUUDIYMJMO-CYBMUJFWSA-N 1 0 245.322 2.301 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)CCCC)C(C)(C)C ZINC001278940859 970853324 /nfs/dbraw/zinc/85/33/24/970853324.db2.gz XPQRNVPJKLQMJY-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO CC[C@@H](C#N)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256565316 970861790 /nfs/dbraw/zinc/86/17/90/970861790.db2.gz DJAVHZHNGMPDHS-NSHDSACASA-N 1 0 223.364 2.141 20 30 BEEDRO CN(CCC#N)C1CC[NH+](C(C)(C)C)CC1 ZINC001256569171 970867370 /nfs/dbraw/zinc/86/73/70/970867370.db2.gz SMDGMEXPYOZDAF-UHFFFAOYSA-N 1 0 223.364 2.095 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CCC(C#N)CC2)CC1 ZINC001256569187 970865975 /nfs/dbraw/zinc/86/59/75/970865975.db2.gz TXPUBCREWMFURF-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC001329451044 973779540 /nfs/dbraw/zinc/77/95/40/973779540.db2.gz QEKZQFBTXBBPBL-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)C1CCC1 ZINC001130134689 970934931 /nfs/dbraw/zinc/93/49/31/970934931.db2.gz HQOFTKVZXFGQNS-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCC=CCCC1 ZINC001130159584 970940743 /nfs/dbraw/zinc/94/07/43/970940743.db2.gz FOBFMMZLQFWRTR-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C[N@@H+]1CCC[C@@H](OCc2ccc(C#N)cc2)C1 ZINC001205598068 1169485553 /nfs/dbraw/zinc/48/55/53/1169485553.db2.gz MHPNFZBUPVJEFW-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)C(C)(C)C ZINC001130282090 970958045 /nfs/dbraw/zinc/95/80/45/970958045.db2.gz YJNATRVVKUXIDU-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH+]1CCC(S)CC1 ZINC001256745442 970979755 /nfs/dbraw/zinc/97/97/55/970979755.db2.gz LAFQQEYNDMYLME-NSHDSACASA-N 1 0 236.384 2.407 20 30 BEEDRO N#CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403592702 970990546 /nfs/dbraw/zinc/99/05/46/970990546.db2.gz GDPKCTYOWLIPNL-FGWVZKOKSA-N 1 0 210.346 2.306 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256818914 970990859 /nfs/dbraw/zinc/99/08/59/970990859.db2.gz BADCKPMQEKAHHJ-LSDHHAIUSA-N 1 0 229.323 2.472 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170500655 970993620 /nfs/dbraw/zinc/99/36/20/970993620.db2.gz YSKQVVHOSPROKJ-NEPJUHHUSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCC[C@@H]1CCC ZINC001130566246 971004885 /nfs/dbraw/zinc/00/48/85/971004885.db2.gz CNXLNANETFSRDB-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO N#CC1(N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256898015 971015192 /nfs/dbraw/zinc/01/51/92/971015192.db2.gz JBIWKYOCQDFYIO-LBPRGKRZSA-N 1 0 233.359 2.039 20 30 BEEDRO C#C[C@@H](C)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904728 971017771 /nfs/dbraw/zinc/01/77/71/971017771.db2.gz MJNVCGMEWQMISJ-OLZOCXBDSA-N 1 0 220.360 2.005 20 30 BEEDRO C#CC1(N[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256904947 971019555 /nfs/dbraw/zinc/01/95/55/971019555.db2.gz OYAIAOHMIKVWRH-CYBMUJFWSA-N 1 0 232.371 2.149 20 30 BEEDRO CCN(CC)CC[NH2+]C1CCC(C#N)CC1 ZINC001256954801 971030841 /nfs/dbraw/zinc/03/08/41/971030841.db2.gz LRZHZNBOJISVDQ-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO C[C@H]1COCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256964787 971036357 /nfs/dbraw/zinc/03/63/57/971036357.db2.gz CYJGYZCASXGKST-PNESKVBLSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2C[C@H]2C2CC2)CC1 ZINC001256964047 971036920 /nfs/dbraw/zinc/03/69/20/971036920.db2.gz ULKOAQRSYFFAMU-XMTWOHMPSA-N 1 0 204.317 2.457 20 30 BEEDRO CNc1cc(Nc2cc(F)cnc2C#N)cc[nH+]1 ZINC001216333745 971050580 /nfs/dbraw/zinc/05/05/80/971050580.db2.gz JWAIOGYLZFWIIW-UHFFFAOYSA-N 1 0 243.245 2.273 20 30 BEEDRO N#CC1CCC([N@@H+]2CCn3cccc3C2)CC1 ZINC001256968725 971044726 /nfs/dbraw/zinc/04/47/26/971044726.db2.gz LAOILNZODYDDAP-UHFFFAOYSA-N 1 0 229.327 2.386 20 30 BEEDRO CN(C)[C@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256968227 971045287 /nfs/dbraw/zinc/04/52/87/971045287.db2.gz BXFSKRYNSKRXBQ-RUXDESIVSA-N 1 0 235.375 2.095 20 30 BEEDRO C[N@@H+]1C[C@H]2CCCN(C3CCC(C#N)CC3)[C@H]2C1 ZINC001256970081 971050922 /nfs/dbraw/zinc/05/09/22/971050922.db2.gz SRQAZVMQMADJQL-JYVUQVBGSA-N 1 0 247.386 2.095 20 30 BEEDRO C[NH2+]Cc1c(C)nn(C2CCC(C#N)CC2)c1C ZINC001256973321 971049240 /nfs/dbraw/zinc/04/92/40/971049240.db2.gz OVRCAAQRQMRFDA-UHFFFAOYSA-N 1 0 246.358 2.474 20 30 BEEDRO CN1CCC[C@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@@H]21 ZINC001256971654 971049526 /nfs/dbraw/zinc/04/95/26/971049526.db2.gz KZYPBOYSTUOYBV-SHWKFHJASA-N 1 0 247.386 2.095 20 30 BEEDRO COc1nc(C)c(C2=C[NH2+]CCC2)c(C)c1C#N ZINC001243952383 971051801 /nfs/dbraw/zinc/05/18/01/971051801.db2.gz LDFRZCKDKXRYKV-UHFFFAOYSA-N 1 0 243.310 2.303 20 30 BEEDRO CNc1cc(Nc2c(N)cccc2C#N)cc[nH+]1 ZINC001216338351 971052894 /nfs/dbraw/zinc/05/28/94/971052894.db2.gz XMVUVOAVUKKKKH-UHFFFAOYSA-N 1 0 239.282 2.321 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccccc2CC#N)CC1 ZINC001208859606 1169511507 /nfs/dbraw/zinc/51/15/07/1169511507.db2.gz WCZSSPHWQSKLPG-UHFFFAOYSA-N 1 0 227.311 2.384 20 30 BEEDRO CC[N@H+](CCCc1ccc(C#N)cc1)C1COC1 ZINC001208862596 1169510738 /nfs/dbraw/zinc/51/07/38/1169510738.db2.gz JYLCKEFZGXHBMZ-UHFFFAOYSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CC[C@H](C(=O)OCC)C1 ZINC001257049822 971077859 /nfs/dbraw/zinc/07/78/59/971077859.db2.gz ZCSBCWJZCUDTLZ-QWHCGFSZSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)[C@@H](F)CC)C(C)(C)C ZINC001278989716 971094529 /nfs/dbraw/zinc/09/45/29/971094529.db2.gz OKMMQMJNILCSES-QWRGUYRKSA-N 1 0 244.354 2.041 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)N=N1 ZINC001257086001 971095413 /nfs/dbraw/zinc/09/54/13/971095413.db2.gz DGBVMNUFRVJEEF-CLLJXQQHSA-N 1 0 249.358 2.498 20 30 BEEDRO C#CCCC1(CC[NH2+]C2C[C@H](C)O[C@@H](C)C2)N=N1 ZINC001257086009 971098386 /nfs/dbraw/zinc/09/83/86/971098386.db2.gz DGBVMNUFRVJEEF-RYUDHWBXSA-N 1 0 249.358 2.498 20 30 BEEDRO C#CC[NH2+][C@@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257146064 971121089 /nfs/dbraw/zinc/12/10/89/971121089.db2.gz MYCZHLIAGLAYQV-LBPRGKRZSA-N 1 0 245.322 2.017 20 30 BEEDRO C#CC[NH2+][C@H](C)Cc1ccc(C(=O)OCC)cc1 ZINC001257146063 971121453 /nfs/dbraw/zinc/12/14/53/971121453.db2.gz MYCZHLIAGLAYQV-GFCCVEGCSA-N 1 0 245.322 2.017 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCN(C(C)C)CC1 ZINC001257207899 971124208 /nfs/dbraw/zinc/12/42/08/971124208.db2.gz AJHDJKFJTZXNFM-CQSZACIVSA-N 1 0 222.376 2.251 20 30 BEEDRO CC(C)C[C@@H](C#N)NC1CC[NH+](C(C)C)CC1 ZINC001257210759 971128077 /nfs/dbraw/zinc/12/80/77/971128077.db2.gz YHBWLPLRZBYGNP-AWEZNQCLSA-N 1 0 237.391 2.387 20 30 BEEDRO CCCN(CCC#N)C1CC[NH+](C(C)C)CC1 ZINC001257216230 971133048 /nfs/dbraw/zinc/13/30/48/971133048.db2.gz CYLBMXIRTIQAFH-UHFFFAOYSA-N 1 0 237.391 2.485 20 30 BEEDRO C=C[C@@H](CCCC)OCC[N+](C)(C)C ZINC001224773984 973942045 /nfs/dbraw/zinc/94/20/45/973942045.db2.gz OSYRPKOQPBYRBJ-LBPRGKRZSA-N 1 0 200.346 2.454 20 30 BEEDRO CCCCCCC[NH2+]Cc1cn(CC)nn1 ZINC000404438499 971161938 /nfs/dbraw/zinc/16/19/38/971161938.db2.gz UJWIRZPTOFUDEG-UHFFFAOYSA-N 1 0 224.352 2.358 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000404637402 971176321 /nfs/dbraw/zinc/17/63/21/971176321.db2.gz IOMIVLCMNHMKLU-ZDUSSCGKSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170559894 971179396 /nfs/dbraw/zinc/17/93/96/971179396.db2.gz FHQFGYJJSSIYHZ-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C[C@H](C#C[Si](C)(C)C)OC[C@@H]1CCC[N@@H+]1C ZINC001224816832 973988751 /nfs/dbraw/zinc/98/87/51/973988751.db2.gz AXGYKCOMOXFIHJ-OLZOCXBDSA-N 1 0 239.435 2.367 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+]C1CCCC1 ZINC001257345711 971256670 /nfs/dbraw/zinc/25/66/70/971256670.db2.gz IOLACJRRHYIQOX-ZDUSSCGKSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](NC(=O)CC(C)C)CC[C@@H]1C ZINC001131752612 971268393 /nfs/dbraw/zinc/26/83/93/971268393.db2.gz SBOHHRJYCSKTEI-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000405609880 971281665 /nfs/dbraw/zinc/28/16/65/971281665.db2.gz MYVXWHWZCVCOOQ-COPLHBTASA-N 1 0 230.311 2.071 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CO[C@H]1C ZINC000405609882 971283384 /nfs/dbraw/zinc/28/33/84/971283384.db2.gz MYVXWHWZCVCOOQ-MJVIPROJSA-N 1 0 230.311 2.071 20 30 BEEDRO C=CC[N@@H+]1C[C@H](NC(=O)/C(C)=C/C)CC[C@H]1C ZINC001131950404 971296240 /nfs/dbraw/zinc/29/62/40/971296240.db2.gz LKLQBKTZJLMJAD-WXYBXBMJSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)CO[C@H]1C ZINC000405749994 971300281 /nfs/dbraw/zinc/30/02/81/971300281.db2.gz XOYZZPHTUOKTLG-BHDSKKPTSA-N 1 0 248.301 2.210 20 30 BEEDRO C#CCN1CC[NH+]([C@H](CC)CCCC)CC1 ZINC001257425256 971322942 /nfs/dbraw/zinc/32/29/42/971322942.db2.gz NGTHSPBDDRJCEY-CQSZACIVSA-N 1 0 222.376 2.206 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](C)CC ZINC001132304192 971332485 /nfs/dbraw/zinc/33/24/85/971332485.db2.gz JKNULEGHEULZHR-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C/C=C/Cl ZINC001132308285 971333857 /nfs/dbraw/zinc/33/38/57/971333857.db2.gz BLVDKQOXUVGNGU-AATRIKPKSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C(C)(C)C=C ZINC001132391876 971344414 /nfs/dbraw/zinc/34/44/14/971344414.db2.gz QZHFBNQDNQLHPD-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCCCC ZINC001132395883 971345243 /nfs/dbraw/zinc/34/52/43/971345243.db2.gz SFHZACGZBNNAFM-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H]1CC=CCC1 ZINC001132439874 971353747 /nfs/dbraw/zinc/35/37/47/971353747.db2.gz NZJAPHGDJAGQPK-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO N#Cc1ccc(F)c(N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC001170620674 971370139 /nfs/dbraw/zinc/37/01/39/971370139.db2.gz WDCJQCGKTOWWRA-WDEREUQCSA-N 1 0 233.290 2.379 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CN(C(=O)CC)CC[C@H]1C ZINC001132570667 971381615 /nfs/dbraw/zinc/38/16/15/971381615.db2.gz AHQBZCIHYRSFGT-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC001132539001 971374468 /nfs/dbraw/zinc/37/44/68/971374468.db2.gz SVPBILLDSHJVSU-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCCCC2)cn1 ZINC001257453683 971374907 /nfs/dbraw/zinc/37/49/07/971374907.db2.gz SABQYZOOGXUHBO-UHFFFAOYSA-N 1 0 215.300 2.376 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CN(C(C)=O)CC[C@H]1C ZINC001132572313 971382857 /nfs/dbraw/zinc/38/28/57/971382857.db2.gz VBNGPQZJYLABTH-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCC[NH2+]CCC(C)C ZINC001132577692 971384304 /nfs/dbraw/zinc/38/43/04/971384304.db2.gz YXPIQSHPIRFTIT-CHWSQXEVSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CCCCCCO[C@H]1C[NH2+]CC[C@@H]1F ZINC001217767759 971394507 /nfs/dbraw/zinc/39/45/07/971394507.db2.gz HQRLAHATYLDDSS-RYUDHWBXSA-N 1 0 215.312 2.449 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CCC(=C)C ZINC001132659956 971395010 /nfs/dbraw/zinc/39/50/10/971395010.db2.gz GBVWFIYIXFCKCE-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C[C@H](C)CC ZINC001132653546 971395290 /nfs/dbraw/zinc/39/52/90/971395290.db2.gz OIJJYHDXLJLYEK-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO CCOC(=N)CCCCO[C@@H]1C=CC(=O)C1 ZINC001224967568 974111179 /nfs/dbraw/zinc/11/11/79/974111179.db2.gz WYLREASKDKYXFH-LLVKDONJSA-N 1 0 225.288 2.085 20 30 BEEDRO CCCCCCCCO[C@H]1C[NH2+]CCOC1 ZINC001217785852 971404530 /nfs/dbraw/zinc/40/45/30/971404530.db2.gz SKQPXXYGEUDSRI-ZDUSSCGKSA-N 1 0 229.364 2.352 20 30 BEEDRO CCCCCCCCO[C@@H]1C[NH2+]CCOC1 ZINC001217785851 971405481 /nfs/dbraw/zinc/40/54/81/971405481.db2.gz SKQPXXYGEUDSRI-CYBMUJFWSA-N 1 0 229.364 2.352 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC1CC(C)(C)C1 ZINC001132779609 971409684 /nfs/dbraw/zinc/40/96/84/971409684.db2.gz GCCXEIRVKBBSOD-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C[NH+](C)CCCCO[C@@H]1CC[C@@H](C#N)C1 ZINC001224992087 974123758 /nfs/dbraw/zinc/12/37/58/974123758.db2.gz HTNUQKDYZNTUQK-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@H](OCCCC[NH+](C)C)c1ccncc1 ZINC001224991019 974123845 /nfs/dbraw/zinc/12/38/45/974123845.db2.gz LNXCIKVLPNVRKO-AWEZNQCLSA-N 1 0 232.327 2.114 20 30 BEEDRO C=C[C@@H](O[C@H]1CC[NH2+]C1)c1ccccc1 ZINC001217822183 971418032 /nfs/dbraw/zinc/41/80/32/971418032.db2.gz GEMZILODWLZYRN-QWHCGFSZSA-N 1 0 203.285 2.292 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1OCCc1cccc(C)c1 ZINC001217833553 971426340 /nfs/dbraw/zinc/42/63/40/971426340.db2.gz XAMITPYGPSAYJH-HNNXBMFYSA-N 1 0 231.339 2.472 20 30 BEEDRO N#Cc1ccc2ccnc(-n3ccc(C[NH3+])c3)c2c1 ZINC001158764450 971445437 /nfs/dbraw/zinc/44/54/37/971445437.db2.gz PUAYQJCDJQCIGE-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCCC[C@H]1C ZINC001133058009 971445902 /nfs/dbraw/zinc/44/59/02/971445902.db2.gz UOIPLFUNNOHNIN-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC001133075666 971449377 /nfs/dbraw/zinc/44/93/77/971449377.db2.gz AZIPAHWOCPCPFE-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@]1(C)CC[C@@H](C(C)(C)OCCC[NH3+])O1 ZINC001217864898 971458869 /nfs/dbraw/zinc/45/88/69/971458869.db2.gz DWLJACVMHQRSGG-AAEUAGOBSA-N 1 0 227.348 2.254 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]Cc1ccccc1 ZINC001133154369 971462225 /nfs/dbraw/zinc/46/22/25/971462225.db2.gz HORDCDIGYWWDQD-UHFFFAOYSA-N 1 0 246.354 2.249 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)CCC ZINC001133176130 971467149 /nfs/dbraw/zinc/46/71/49/971467149.db2.gz LCODEOJZRYPJPU-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO N#Cc1coc(C[NH2+][C@H]2CCCSC2)c1 ZINC001257668294 971469086 /nfs/dbraw/zinc/46/90/86/971469086.db2.gz ONFDCVSPVBYIKA-JTQLQIEISA-N 1 0 222.313 2.136 20 30 BEEDRO C#C[C@H](CC(C)C)OC[C@@H]1CCC[NH2+]C1 ZINC001217893213 971493653 /nfs/dbraw/zinc/49/36/53/971493653.db2.gz XEDJDHIFDBABTF-CHWSQXEVSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1CCC(=C)CC1 ZINC001133374053 971501430 /nfs/dbraw/zinc/50/14/30/971501430.db2.gz NUCSILIRBFTMJV-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C#CC[NH+](CC#C)C1CCC(OC(C)C)CC1 ZINC001257884971 971519234 /nfs/dbraw/zinc/51/92/34/971519234.db2.gz DHPHEQYEIJHEIO-UHFFFAOYSA-N 1 0 233.355 2.291 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@H](O)CF)C[C@H](C1)C2 ZINC001257889495 971522091 /nfs/dbraw/zinc/52/20/91/971522091.db2.gz BMZBKMBPRGTWEO-ZGVCCVRISA-N 1 0 227.323 2.041 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CCN(C)CC3)C[C@H](C1)C2 ZINC001257890367 971522937 /nfs/dbraw/zinc/52/29/37/971522937.db2.gz VUWGUJFKGWNHKX-YIONKMFJSA-N 1 0 234.387 2.369 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001133442804 971529441 /nfs/dbraw/zinc/52/94/41/971529441.db2.gz JNUUVDZDMKRHJJ-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133449026 971535764 /nfs/dbraw/zinc/53/57/64/971535764.db2.gz YHBAHQGZMXKWGZ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO CC[N@H+](CCC#N)C1CCC2(COC2)CC1 ZINC001257908493 971537294 /nfs/dbraw/zinc/53/72/94/971537294.db2.gz KOVPLJYKLOSHAF-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1c(C)c(O[C@H]2C[NH2+]CC[C@@H]2F)ccc1C#N ZINC001217958496 971545405 /nfs/dbraw/zinc/54/54/05/971545405.db2.gz KBNIIYZMWBMNJI-JSGCOSHPSA-N 1 0 248.301 2.254 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(C)F ZINC001133472789 971546215 /nfs/dbraw/zinc/54/62/15/971546215.db2.gz GJOIPJCXFLSTCF-WDEREUQCSA-N 1 0 244.354 2.184 20 30 BEEDRO Cc1c(C#N)cccc1O[C@@H]1C[NH2+]CCC[C@H]1F ZINC001217981881 971558720 /nfs/dbraw/zinc/55/87/20/971558720.db2.gz RVYOEHQCIZZXCV-TZMCWYRMSA-N 1 0 248.301 2.336 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)C ZINC001133541602 971559275 /nfs/dbraw/zinc/55/92/75/971559275.db2.gz YKFMJUVDPGVXEY-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258023426 971559867 /nfs/dbraw/zinc/55/98/67/971559867.db2.gz WJZLYYWAOXUCGA-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C1(CCO)COC1 ZINC001258039541 971561039 /nfs/dbraw/zinc/56/10/39/971561039.db2.gz SGYRJYWGQNUBRU-ZDUSSCGKSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC001258041055 971561083 /nfs/dbraw/zinc/56/10/83/971561083.db2.gz KVNRYIQSZXJAGY-MGPQQGTHSA-N 1 0 243.391 2.163 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC001258044494 971569326 /nfs/dbraw/zinc/56/93/26/971569326.db2.gz OZPRQZWKUWSKEE-ZIAGYGMSSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001133585120 971570586 /nfs/dbraw/zinc/57/05/86/971570586.db2.gz CDQFBLOWGYUXPF-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)C ZINC001133590468 971571275 /nfs/dbraw/zinc/57/12/75/971571275.db2.gz LEQJZWRRQCRVJH-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C=C(C)C ZINC001133582989 971571297 /nfs/dbraw/zinc/57/12/97/971571297.db2.gz YAACLCSYLUKAQS-OLZOCXBDSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[N@@H+]([C@@H]1CCN(CC)C(=O)C1)C(C)(C)C ZINC001172054002 974263458 /nfs/dbraw/zinc/26/34/58/974263458.db2.gz UDJXSKCYCDRPEE-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO Cc1cc(O[C@@H]2CC[N@@H+](C)C2)cc(C)c1C#N ZINC001226831766 1169612440 /nfs/dbraw/zinc/61/24/40/1169612440.db2.gz MCPULGXPIXDJDW-GFCCVEGCSA-N 1 0 230.311 2.258 20 30 BEEDRO C#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCCC ZINC001133687314 971591067 /nfs/dbraw/zinc/59/10/67/971591067.db2.gz HVQWXDCXSKKDDI-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133764686 971596250 /nfs/dbraw/zinc/59/62/50/971596250.db2.gz KFXUUYCEUKDCGV-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO CC(C)(C)c1cc(C#N)ccc1OC1C[NH2+]C1 ZINC001218049513 971591317 /nfs/dbraw/zinc/59/13/17/971591317.db2.gz KNBGKGQOMNZLPU-UHFFFAOYSA-N 1 0 230.311 2.206 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC1CC1 ZINC001133888241 971614604 /nfs/dbraw/zinc/61/46/04/971614604.db2.gz HCISTPCRVQEFJY-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(=O)N(CC)CC)C1CC1 ZINC000747867112 971616350 /nfs/dbraw/zinc/61/63/50/971616350.db2.gz OOSLXUIVYPNWCN-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCCF ZINC001133887977 971617324 /nfs/dbraw/zinc/61/73/24/971617324.db2.gz DROAPNQNSPVYQJ-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(c1)CCCO2 ZINC001218210990 971629781 /nfs/dbraw/zinc/62/97/81/971629781.db2.gz OFFNXINTCXJDTL-HNNXBMFYSA-N 1 0 245.322 2.309 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc2c(ccn2C)c1 ZINC001218207998 971631262 /nfs/dbraw/zinc/63/12/62/971631262.db2.gz VDOCUSNZUKCYOM-HNNXBMFYSA-N 1 0 242.322 2.475 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)/C(C)=C\CC)C1 ZINC001330571444 974322494 /nfs/dbraw/zinc/32/24/94/974322494.db2.gz ZODRTDVICXJPGD-IXWVBVBQSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C\C ZINC001134048080 971655889 /nfs/dbraw/zinc/65/58/89/971655889.db2.gz WDWDKJKRAFZYEU-GZDUMXDUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(CC)C(=O)C1 ZINC001172048693 974333379 /nfs/dbraw/zinc/33/33/79/974333379.db2.gz QLOIBUAVIJBQEO-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1CC ZINC001134069848 971661456 /nfs/dbraw/zinc/66/14/56/971661456.db2.gz IPUKRUICSWWXAQ-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCc1ccc(O)c(O[C@H]2CCC[NH2+]C2)c1 ZINC001218284359 971679549 /nfs/dbraw/zinc/67/95/49/971679549.db2.gz VRNQHNNMZUIZBX-LBPRGKRZSA-N 1 0 233.311 2.252 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([NH2+]C3CC(C#N)C3)C[C@@H]21 ZINC001170736496 971680487 /nfs/dbraw/zinc/68/04/87/971680487.db2.gz OEPVLCZATPLAQA-VQZRLGFTSA-N 1 0 204.317 2.313 20 30 BEEDRO CC(=O)C=C(C)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172100590 974343934 /nfs/dbraw/zinc/34/39/34/974343934.db2.gz FQPOXPSQUMCAHQ-WYVGLQTBSA-N 1 0 236.359 2.084 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC ZINC001134250921 971687672 /nfs/dbraw/zinc/68/76/72/971687672.db2.gz CFISLGZOQHYWPL-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO N#Cc1cc2ccc(O[C@@H]3CCC[NH2+]C3)cc2[nH]1 ZINC001218285439 971683439 /nfs/dbraw/zinc/68/34/39/971683439.db2.gz IMCJAUHZDLDXOE-CYBMUJFWSA-N 1 0 241.294 2.170 20 30 BEEDRO C=C[C@@H](CC)Oc1ccccc1N1CC[NH2+]CC1 ZINC001218290821 971685441 /nfs/dbraw/zinc/68/54/41/971685441.db2.gz KWBVQZXHQRHYAP-ZDUSSCGKSA-N 1 0 246.354 2.440 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C=C(/C)CC ZINC001134285330 971699455 /nfs/dbraw/zinc/69/94/55/971699455.db2.gz QFNUVAAURSEMSK-BFMCYROOSA-N 1 0 238.375 2.402 20 30 BEEDRO C#C[C@@H](CCC)Oc1cccc(C[NH3+])c1 ZINC001218318606 971706183 /nfs/dbraw/zinc/70/61/83/971706183.db2.gz AYUQSEZEWZNLCT-LBPRGKRZSA-N 1 0 203.285 2.326 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CC[C@H]2F)c(C)cc1C#N ZINC001218319075 971707420 /nfs/dbraw/zinc/70/74/20/971707420.db2.gz AXWGGNVNJWCZMY-OCCSQVGLSA-N 1 0 248.301 2.254 20 30 BEEDRO C#C[C@@H]1CCC[C@@H]1Oc1cccc(C[NH3+])c1 ZINC001218342907 971718382 /nfs/dbraw/zinc/71/83/82/971718382.db2.gz ACQPQMRMHUGOFY-OCCSQVGLSA-N 1 0 215.296 2.326 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001134412004 971724154 /nfs/dbraw/zinc/72/41/54/971724154.db2.gz PEDSWFQWKWCCMT-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([N@@H+]3CC[C@@H](C#N)C3)C[C@@H]21 ZINC001170759811 971735507 /nfs/dbraw/zinc/73/55/07/971735507.db2.gz DKKYCPNRMKDGFQ-YFKTTZPYSA-N 1 0 204.317 2.266 20 30 BEEDRO Cc1cccc(O[C@H]2CC[C@H](C)[NH2+]C2)c1C#N ZINC001218401491 971775090 /nfs/dbraw/zinc/77/50/90/971775090.db2.gz ZYVRZMSYCSMJAS-RYUDHWBXSA-N 1 0 230.311 2.386 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001134741095 971777685 /nfs/dbraw/zinc/77/76/85/971777685.db2.gz KMMYHPNUYZINDE-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001330831081 974495114 /nfs/dbraw/zinc/49/51/14/974495114.db2.gz SMQRBMMBQWMOLJ-YVECIDJPSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](C)CC#N ZINC001172300570 974512299 /nfs/dbraw/zinc/51/22/99/974512299.db2.gz XDHKOJYYJGDIMV-NWDGAFQWSA-N 1 0 227.311 2.381 20 30 BEEDRO Cc1c(C#N)ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c1C ZINC001218441673 971818695 /nfs/dbraw/zinc/81/86/95/971818695.db2.gz HHVNGXXMHGTNBS-UMVBOHGHSA-N 1 0 242.322 2.304 20 30 BEEDRO C#C[C@H](Oc1cccc2c1CC[NH2+]C2)C(C)C ZINC001218440523 971820156 /nfs/dbraw/zinc/82/01/56/971820156.db2.gz LSEQOKABCYHECK-AWEZNQCLSA-N 1 0 229.323 2.369 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300571 974513673 /nfs/dbraw/zinc/51/36/73/974513673.db2.gz XDHKOJYYJGDIMV-RYUDHWBXSA-N 1 0 227.311 2.381 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC(F)F ZINC001135011534 971820720 /nfs/dbraw/zinc/82/07/20/971820720.db2.gz FWAJJKABBGJTBP-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]C(C)C ZINC001135188437 971843755 /nfs/dbraw/zinc/84/37/55/971843755.db2.gz LBTYATAITKEVSU-NWDGAFQWSA-N 1 0 240.391 2.480 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC001231657810 1169676151 /nfs/dbraw/zinc/67/61/51/1169676151.db2.gz MXVLCSLDRJNOCK-CYBMUJFWSA-N 1 0 229.323 2.136 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c1 ZINC001231658254 1169676977 /nfs/dbraw/zinc/67/69/77/1169676977.db2.gz SRZLNORFOQGUKH-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c1 ZINC001231658257 1169676986 /nfs/dbraw/zinc/67/69/86/1169676986.db2.gz SRZLNORFOQGUKH-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c1 ZINC001231657358 1169677683 /nfs/dbraw/zinc/67/76/83/1169677683.db2.gz JGMIGXPDZZSRIR-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(CN(C)Cc2ccno2)c1 ZINC001231661024 1169680430 /nfs/dbraw/zinc/68/04/30/1169680430.db2.gz NDOILGYPMNPXDQ-UHFFFAOYSA-N 1 0 226.279 2.288 20 30 BEEDRO C#Cc1cccc(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c1 ZINC001231664170 1169681124 /nfs/dbraw/zinc/68/11/24/1169681124.db2.gz WMKIOEMZODWXJO-OKILXGFUSA-N 1 0 242.366 2.192 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1scnc1C1CC1 ZINC000309981988 971908754 /nfs/dbraw/zinc/90/87/54/971908754.db2.gz WNEGJXKEZQRQKS-SNVBAGLBSA-N 1 0 238.356 2.311 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCC(C)(C)C ZINC001135534069 971908790 /nfs/dbraw/zinc/90/87/90/971908790.db2.gz MIWHACSLFKCJNH-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccc(C(=O)CC#N)cc1 ZINC001233525322 1169688723 /nfs/dbraw/zinc/68/87/23/1169688723.db2.gz JSQVKDMDYYMGRP-LLVKDONJSA-N 1 0 246.310 2.112 20 30 BEEDRO CC[C@H](C)OCC[C@H](C)[N@H+](C)CCC#N ZINC001172333945 974597591 /nfs/dbraw/zinc/59/75/91/974597591.db2.gz AXNFNHLERMGACO-RYUDHWBXSA-N 1 0 212.337 2.426 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001135863378 971982703 /nfs/dbraw/zinc/98/27/03/971982703.db2.gz HGBGOEQTEHFSCI-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)[C@H](C)CC ZINC001135859343 971983341 /nfs/dbraw/zinc/98/33/41/971983341.db2.gz PYBWGUUKLNSEJU-KOLCDFICSA-N 1 0 246.782 2.127 20 30 BEEDRO C[C@@H]1CNC(NN=C2CC3(C2)CCCCC3)=[NH+]1 ZINC000817325431 971983625 /nfs/dbraw/zinc/98/36/25/971983625.db2.gz BRZTYVBPHBTUTC-SNVBAGLBSA-N 1 0 234.347 2.024 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001135859345 971984969 /nfs/dbraw/zinc/98/49/69/971984969.db2.gz PYBWGUUKLNSEJU-ONGXEEELSA-N 1 0 246.782 2.127 20 30 BEEDRO C#CC1([NH2+][C@H](C)CCO[C@@H](C)CC)CC1 ZINC001172341495 974606960 /nfs/dbraw/zinc/60/69/60/974606960.db2.gz GOKUFFRIHLLRIY-NEPJUHHUSA-N 1 0 209.333 2.336 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)CC(C)C ZINC001135872672 971987935 /nfs/dbraw/zinc/98/79/35/971987935.db2.gz OUSUBURVXPMVJC-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CCCOCC2)ccc1F ZINC000311052990 971991185 /nfs/dbraw/zinc/99/11/85/971991185.db2.gz HCCWEJKZUVURCD-ZDUSSCGKSA-N 1 0 248.301 2.356 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001135984060 972015118 /nfs/dbraw/zinc/01/51/18/972015118.db2.gz UPVYTFRMNPFRJL-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ncc2ccccc2c1C#N ZINC001170889872 972038704 /nfs/dbraw/zinc/03/87/04/972038704.db2.gz WSDPUUZZAYEGSV-SNVBAGLBSA-N 1 0 240.310 2.256 20 30 BEEDRO C[C@@H]([NH3+])CCNc1cc(C#N)cc2[nH]ccc21 ZINC001170891311 972045724 /nfs/dbraw/zinc/04/57/24/972045724.db2.gz WHJOHMCDVNYPJA-SECBINFHSA-N 1 0 228.299 2.189 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]C[C@@H](O)CO ZINC001172347490 974618405 /nfs/dbraw/zinc/61/84/05/974618405.db2.gz VYPBYIABNRHKDK-CHWSQXEVSA-N 1 0 231.380 2.068 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000390428580 972087002 /nfs/dbraw/zinc/08/70/02/972087002.db2.gz NUBAVHKLMHTXMO-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO N#CCCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819220865 972092831 /nfs/dbraw/zinc/09/28/31/972092831.db2.gz FQNSHQSOLJWXEF-GFCCVEGCSA-N 1 0 238.718 2.267 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]CC(N)=O ZINC001172356892 974624236 /nfs/dbraw/zinc/62/42/36/974624236.db2.gz DCCCGNRXIYWRBG-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO CCCCCCC[C@H](C)C(=O)NCC[NH3+] ZINC001219870444 972099520 /nfs/dbraw/zinc/09/95/20/972099520.db2.gz DTCUYGRMJGXBAY-NSHDSACASA-N 1 0 214.353 2.058 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccc(C#N)c(F)c1 ZINC001204053136 972112162 /nfs/dbraw/zinc/11/21/62/972112162.db2.gz BRYRETRWHDWHMW-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170946548 972129472 /nfs/dbraw/zinc/12/94/72/972129472.db2.gz NUQWIBIAEYTQGS-LLVKDONJSA-N 1 0 218.275 2.186 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]C2CCC(CC#N)CC2)CN1 ZINC001246085818 972138595 /nfs/dbraw/zinc/13/85/95/972138595.db2.gz RZCMFMKOYRKGMS-ABXWRUBCSA-N 1 0 235.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCc2cccc(F)c2C1 ZINC001170955131 972149219 /nfs/dbraw/zinc/14/92/19/972149219.db2.gz JTBKRGNOEVYXEE-LLVKDONJSA-N 1 0 205.276 2.459 20 30 BEEDRO C#CC1([NH2+][C@H]2CCc3cccc(F)c3C2)CC1 ZINC001170961605 972170479 /nfs/dbraw/zinc/17/04/79/972170479.db2.gz QHIOYNNLVAUFLJ-LBPRGKRZSA-N 1 0 229.298 2.438 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCc3cccc(F)c3C2)CC1 ZINC001170961604 972169348 /nfs/dbraw/zinc/16/93/48/972169348.db2.gz QHIOYNNLVAUFLJ-GFCCVEGCSA-N 1 0 229.298 2.438 20 30 BEEDRO C[C@@H]1CCNC[C@H]1[NH2+]C1CCC(CC#N)CC1 ZINC001246119503 972183071 /nfs/dbraw/zinc/18/30/71/972183071.db2.gz VRFOCSVCFXXTRR-BLYZHGLHSA-N 1 0 235.375 2.046 20 30 BEEDRO C=C(C)CC[N@H+](C)CCNC(=O)c1ccccc1 ZINC001266252945 956877547 /nfs/dbraw/zinc/87/75/47/956877547.db2.gz HJJDEUVFDBKTTP-UHFFFAOYSA-N 1 0 246.354 2.314 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CC1CCC1 ZINC001125276489 956906426 /nfs/dbraw/zinc/90/64/26/956906426.db2.gz KPIRZUNOGBRXAM-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCN(CC=C)C[C@H]1CCC[N@@H+](C)C1 ZINC001208608022 957095617 /nfs/dbraw/zinc/09/56/17/957095617.db2.gz FDZSSPXZZPKUHD-ZDUSSCGKSA-N 1 0 208.349 2.002 20 30 BEEDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000705329583 957115456 /nfs/dbraw/zinc/11/54/56/957115456.db2.gz AKCSNTOGHIAUDR-GXFFZTMASA-N 1 0 248.301 2.043 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCc2ccc(C#N)cc2)C1 ZINC001208856686 957185800 /nfs/dbraw/zinc/18/58/00/957185800.db2.gz QCWFFSKZDLRUFI-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(CO)cs2)C1 ZINC001206801401 957204492 /nfs/dbraw/zinc/20/44/92/957204492.db2.gz VWJLHNHAHPCBNB-JTQLQIEISA-N 1 0 238.356 2.033 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2c1OCC2 ZINC000692980826 957206408 /nfs/dbraw/zinc/20/64/08/957206408.db2.gz QNKZZOBEUVLFMY-UHFFFAOYSA-N 1 0 230.311 2.405 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](C)CCCC ZINC001480869089 957222237 /nfs/dbraw/zinc/22/22/37/957222237.db2.gz NGOMEADZXUITEN-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCCCCC)C1 ZINC001266355424 957347536 /nfs/dbraw/zinc/34/75/36/957347536.db2.gz HWXSJDAKRWMPSD-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001209201741 957348516 /nfs/dbraw/zinc/34/85/16/957348516.db2.gz PWWAJLMRTHXMFI-WDEREUQCSA-N 1 0 201.285 2.011 20 30 BEEDRO C#CCCC[NH+]1CC2(C1)CC(F)(F)CS2 ZINC001209269117 957373683 /nfs/dbraw/zinc/37/36/83/957373683.db2.gz DYNRBCOSHGNNCH-UHFFFAOYSA-N 1 0 231.311 2.226 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)C1CC(C)C1 ZINC001266383153 957417617 /nfs/dbraw/zinc/41/76/17/957417617.db2.gz HEYCGBJJHCJAII-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CC1(C)C ZINC001266385670 957421554 /nfs/dbraw/zinc/42/15/54/957421554.db2.gz HQIPDQYMFZVVEX-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)/C(C)=C/CC)C1CC1 ZINC001266398325 957463745 /nfs/dbraw/zinc/46/37/45/957463745.db2.gz QHIMUBAPIDWXPX-VKUYVZBCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]1CNC(=O)CC(C)C ZINC001266442865 957561770 /nfs/dbraw/zinc/56/17/70/957561770.db2.gz IQJPTHOSPKKJRL-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001167251873 957588751 /nfs/dbraw/zinc/58/87/51/957588751.db2.gz MMIWYDVDYBIZQW-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)CC ZINC001266457883 957593232 /nfs/dbraw/zinc/59/32/32/957593232.db2.gz OECXYIKAEPSHNX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)CC ZINC001266457881 957594208 /nfs/dbraw/zinc/59/42/08/957594208.db2.gz OECXYIKAEPSHNX-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@@H+]1CC[C@H](Nc2ccc(CCC#N)cc2)C1 ZINC001167275340 957617269 /nfs/dbraw/zinc/61/72/69/957617269.db2.gz MZNOBUWNBYAPPZ-AWEZNQCLSA-N 1 0 229.327 2.259 20 30 BEEDRO CCNC(NCc1cc(C)cc(C)c1)=[NH+]CC ZINC000693201056 957866337 /nfs/dbraw/zinc/86/63/37/957866337.db2.gz DPWSWQUTHRVPJW-UHFFFAOYSA-N 1 0 233.359 2.378 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]CCCF ZINC001167362797 957898245 /nfs/dbraw/zinc/89/82/45/957898245.db2.gz BJBDNRMEJYWVSV-UHFFFAOYSA-N 1 0 244.354 2.044 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]CCCC ZINC001167366025 957904770 /nfs/dbraw/zinc/90/47/70/957904770.db2.gz RRBLGMBPGWOWSJ-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]CCC ZINC001167369688 957911891 /nfs/dbraw/zinc/91/18/91/957911891.db2.gz NAVQGLBXRCGQND-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)/C(C)=C\C ZINC001125443935 957964040 /nfs/dbraw/zinc/96/40/40/957964040.db2.gz QULYCIONZZLCTC-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO Cc1oc(Nc2c[nH+]cn2C)c(C#N)c1C ZINC001211246847 958109915 /nfs/dbraw/zinc/10/99/15/958109915.db2.gz VGSJNMIWMMNLSP-UHFFFAOYSA-N 1 0 216.244 2.245 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(C#N)s1 ZINC001211259328 958124755 /nfs/dbraw/zinc/12/47/55/958124755.db2.gz KIFXBJUCBRQECA-UHFFFAOYSA-N 1 0 231.280 2.189 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)C1 ZINC000692293415 958126230 /nfs/dbraw/zinc/12/62/30/958126230.db2.gz IICVUKJKQVUSCE-GFCCVEGCSA-N 1 0 214.312 2.114 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@@H](O)c1cccc(C#N)c1 ZINC000402276059 958195243 /nfs/dbraw/zinc/19/52/43/958195243.db2.gz VKYCMMCCBACIPD-OAHLLOKOSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCC1(NC(=O)[C@@H](C)[NH2+]C2CC2)CCCC1 ZINC000690710583 958292432 /nfs/dbraw/zinc/29/24/32/958292432.db2.gz MQONJWGMKZPRDD-LLVKDONJSA-N 1 0 236.359 2.132 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001266851583 958499779 /nfs/dbraw/zinc/49/97/79/958499779.db2.gz AAPSBAMUFOEKEP-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)NC1CCC([NH2+]CC)CC1 ZINC001266908988 958578140 /nfs/dbraw/zinc/57/81/40/958578140.db2.gz CSCFOLKZXDMTCG-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C1=CCCCCC1 ZINC001266933755 958623739 /nfs/dbraw/zinc/62/37/39/958623739.db2.gz PJTMSLPTAGKLQU-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)CC(C)(C)CC ZINC001266944042 958637027 /nfs/dbraw/zinc/63/70/27/958637027.db2.gz VTYGBULCLUINQQ-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C1(C)CCCCC1 ZINC001266967228 958677537 /nfs/dbraw/zinc/67/75/37/958677537.db2.gz CRIZLSZKMWNYRX-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C(C)(C)CC ZINC001266967331 958678069 /nfs/dbraw/zinc/67/80/69/958678069.db2.gz KLQMRDCERKUBRV-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C(C)(C)CC ZINC001266967332 958678983 /nfs/dbraw/zinc/67/89/83/958678983.db2.gz KLQMRDCERKUBRV-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000724153745 958741059 /nfs/dbraw/zinc/74/10/59/958741059.db2.gz HBZSCCCNWRWSDU-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C)C(C)C ZINC001167530595 958841811 /nfs/dbraw/zinc/84/18/11/958841811.db2.gz HLHLQTJPHQFRPP-LLVKDONJSA-N 1 0 246.782 2.127 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C#N)nc2)C1 ZINC001140545920 958845733 /nfs/dbraw/zinc/84/57/33/958845733.db2.gz PUARKJUSCNWYQN-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO C#Cc1cccnc1Nc1cc[nH+]c(NC)c1 ZINC001216331418 958847638 /nfs/dbraw/zinc/84/76/38/958847638.db2.gz SVMYIOYLXXUGEQ-UHFFFAOYSA-N 1 0 224.267 2.243 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@H](C)CC ZINC001267119369 958904475 /nfs/dbraw/zinc/90/44/75/958904475.db2.gz DESKPDBXGIWDKN-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H](F)C(C)C ZINC001267138990 958942093 /nfs/dbraw/zinc/94/20/93/958942093.db2.gz DPMBIJNTQJRQQT-NEPJUHHUSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@H](C)[NH2+]CCC ZINC001267139639 958943371 /nfs/dbraw/zinc/94/33/71/958943371.db2.gz KFPTYFCFOQXGNM-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1C[C@H]1C ZINC001267141119 958949347 /nfs/dbraw/zinc/94/93/47/958949347.db2.gz WDZAZCKNBMABGS-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)c1ccc(C)cc1 ZINC001267153591 958971836 /nfs/dbraw/zinc/97/18/36/958971836.db2.gz LWNYIVZBKSSPAR-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001167598418 959008163 /nfs/dbraw/zinc/00/81/63/959008163.db2.gz YSRQEMKBUHCYJT-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001207358145 959236641 /nfs/dbraw/zinc/23/66/41/959236641.db2.gz CFZDWBHUGFMPKS-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)CCC(C)C ZINC001267234592 959257119 /nfs/dbraw/zinc/25/71/19/959257119.db2.gz IQLSLJBVAONCKU-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2cnc(C#N)cn2)cc1 ZINC001204607042 959291392 /nfs/dbraw/zinc/29/13/92/959291392.db2.gz QRQOKNQMUVQSLG-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C#CC[C@@H]([NH2+][C@H](C)CCO)c1ccccc1 ZINC000309592589 959576336 /nfs/dbraw/zinc/57/63/36/959576336.db2.gz VFSHPPKWWJNMJP-TZMCWYRMSA-N 1 0 217.312 2.112 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H](C)CCC(C)C ZINC000309072211 959577681 /nfs/dbraw/zinc/57/76/81/959577681.db2.gz FKOLAEZHECSMPX-CHWSQXEVSA-N 1 0 211.349 2.175 20 30 BEEDRO Cc1cc(N2CCC[C@@H](C#N)C2)cc[nH+]1 ZINC000693924971 959592510 /nfs/dbraw/zinc/59/25/10/959592510.db2.gz FNZBXZQTFOAKTM-NSHDSACASA-N 1 0 201.273 2.130 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[C@@H]1C ZINC001267421023 959647093 /nfs/dbraw/zinc/64/70/93/959647093.db2.gz PGGDKQPUAGICIQ-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC1(NC(=O)[C@H]([NH3+])CC2CC2)CCCC1 ZINC000690770399 959651126 /nfs/dbraw/zinc/65/11/26/959651126.db2.gz DQNFVMFNQMVBPX-GFCCVEGCSA-N 1 0 236.359 2.119 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)c1ccc(CC)cc1 ZINC001267462811 959712677 /nfs/dbraw/zinc/71/26/77/959712677.db2.gz OPBBFMIODGYTCG-UHFFFAOYSA-N 1 0 246.354 2.097 20 30 BEEDRO C=C[C@@H](C#CC(C)(C)C)OC[C@H]1CCC[NH2+]1 ZINC001217915505 959749457 /nfs/dbraw/zinc/74/94/57/959749457.db2.gz LVTXMXWUMSMQSG-OLZOCXBDSA-N 1 0 221.344 2.359 20 30 BEEDRO C=CCn1cc(-c2cccc3c2C[NH2+]CC3)cn1 ZINC001222395314 972455887 /nfs/dbraw/zinc/45/58/87/972455887.db2.gz BCOCJGYBOAFEQT-UHFFFAOYSA-N 1 0 239.322 2.382 20 30 BEEDRO C=CCn1cc(-c2ccccc2C[NH3+])cn1 ZINC001222400366 972460000 /nfs/dbraw/zinc/46/00/00/972460000.db2.gz QFWMGDYQWHGRTD-UHFFFAOYSA-N 1 0 213.284 2.195 20 30 BEEDRO C=CCn1cc(-c2ccccc2CC[NH3+])cn1 ZINC001222400174 972461856 /nfs/dbraw/zinc/46/18/56/972461856.db2.gz GGVSGSKHUBEPCP-UHFFFAOYSA-N 1 0 227.311 2.237 20 30 BEEDRO C=CC[N@@H+](CC)CCNC(=O)[C@@H](C)CCC ZINC001480968488 959866875 /nfs/dbraw/zinc/86/68/75/959866875.db2.gz ZPDFFXYIYWGJGK-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)cc1CC ZINC000309417410 959874013 /nfs/dbraw/zinc/87/40/13/959874013.db2.gz CWGDQAITQPVNPD-NSHDSACASA-N 1 0 217.312 2.369 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC000309422744 959874332 /nfs/dbraw/zinc/87/43/32/959874332.db2.gz AGQARPSGJGDSBA-TZMCWYRMSA-N 1 0 219.328 2.063 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C#N)c(C)c1C ZINC001218204322 959889220 /nfs/dbraw/zinc/88/92/20/959889220.db2.gz PNUOBIKFRFPCKQ-OAHLLOKOSA-N 1 0 242.322 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1)CCC2 ZINC001218203098 959891086 /nfs/dbraw/zinc/89/10/86/959891086.db2.gz BRCOOQWHDPKELT-OAHLLOKOSA-N 1 0 229.323 2.472 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(O)c1 ZINC000309497244 959891278 /nfs/dbraw/zinc/89/12/78/959891278.db2.gz YTJJPRHFLZLOAS-PWSUYJOCSA-N 1 0 221.300 2.244 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)[C@@H](CC)CCC)C1 ZINC001267695220 960211225 /nfs/dbraw/zinc/21/12/25/960211225.db2.gz OCUCOTGBFTYHRW-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)CCNC(=[NH2+])NC[C@H](C)C(C)C ZINC000178580759 960236432 /nfs/dbraw/zinc/23/64/32/960236432.db2.gz LUEQETUNSOHYLQ-NSHDSACASA-N 1 0 213.369 2.229 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001267747747 960283470 /nfs/dbraw/zinc/28/34/70/960283470.db2.gz CJAJJOBODNZAPS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)s1)[C@@H]1CCCO1 ZINC000309701914 960325500 /nfs/dbraw/zinc/32/55/00/960325500.db2.gz MZUHSOQEAYREIQ-OLZOCXBDSA-N 1 0 235.352 2.327 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]Cc1ccno1 ZINC000695778280 960455915 /nfs/dbraw/zinc/45/59/15/960455915.db2.gz MBBDJFTVPIVBIZ-SECBINFHSA-N 1 0 207.277 2.093 20 30 BEEDRO C=CC[NH2+]CC1(NC(=O)C=C2CCC2)CCCC1 ZINC001267835616 960420032 /nfs/dbraw/zinc/42/00/32/960420032.db2.gz VTYSOMSBOAXWRQ-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=CC[NH2+]C[C@@]1(NC(=O)CC)CCCC[C@H]1C ZINC001267867454 960455392 /nfs/dbraw/zinc/45/53/92/960455392.db2.gz GAQDKWPEJWYBJB-OCCSQVGLSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(C)CCOC1 ZINC000695777768 960456089 /nfs/dbraw/zinc/45/60/89/960456089.db2.gz ILCRLZWRLFMTFK-WCQYABFASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695835922 960497453 /nfs/dbraw/zinc/49/74/53/960497453.db2.gz JDQCXHCHDBHNKY-WDEREUQCSA-N 1 0 226.364 2.454 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)CC(C)(C)C#N)n(C)n1 ZINC000695842243 960506829 /nfs/dbraw/zinc/50/68/29/960506829.db2.gz LBALXNIFEUQOMK-LLVKDONJSA-N 1 0 234.347 2.147 20 30 BEEDRO CCn1cc(C[NH2+][C@@H](C)CC(C)(C)C#N)cn1 ZINC000695858062 960532843 /nfs/dbraw/zinc/53/28/43/960532843.db2.gz GYGVPPNWAHUNCJ-NSHDSACASA-N 1 0 234.347 2.321 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCSC1 ZINC000695888900 960564985 /nfs/dbraw/zinc/56/49/85/960564985.db2.gz XHZBNHWNAPQTPA-UWVGGRQHSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H](C)C1 ZINC001481286207 960584173 /nfs/dbraw/zinc/58/41/73/960584173.db2.gz FGIIJKCBQGLMOJ-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H](C)C1 ZINC001481286206 960585663 /nfs/dbraw/zinc/58/56/63/960585663.db2.gz FGIIJKCBQGLMOJ-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO SC1CC[NH+](Cc2c[nH]c3ccncc23)CC1 ZINC001140805572 960606005 /nfs/dbraw/zinc/60/60/05/960606005.db2.gz BGAAWGSRBDHHAW-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1(CC)CC1 ZINC001268001984 960703535 /nfs/dbraw/zinc/70/35/35/960703535.db2.gz MWVBXRWSSYKHJN-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@H](C)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000162731269 960733213 /nfs/dbraw/zinc/73/32/13/960733213.db2.gz VIURFEZYJCNHAU-DZGCQCFKSA-N 1 0 249.354 2.118 20 30 BEEDRO CC(C)CN(CCC#N)CC[C@@H]1CCC[N@@H+]1C ZINC000686623137 960748816 /nfs/dbraw/zinc/74/88/16/960748816.db2.gz SNTDBHDBMZVKGC-AWEZNQCLSA-N 1 0 237.391 2.342 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@@H]1CCO ZINC000686683438 960791135 /nfs/dbraw/zinc/79/11/35/960791135.db2.gz ZMJVFGYTJCRXMZ-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO SC1CC[NH+](Cc2ccn3ccnc3c2)CC1 ZINC001141046099 960833670 /nfs/dbraw/zinc/83/36/70/960833670.db2.gz LYVQFLCGDJLVEZ-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001027748948 960929121 /nfs/dbraw/zinc/92/91/21/960929121.db2.gz PNPXTFCSQTWYMW-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCCCCCC(=O)N(C)[C@H](C)C[NH2+]CC ZINC001268079101 961151416 /nfs/dbraw/zinc/15/14/16/961151416.db2.gz OXGOCTJUQQFYDD-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H](C)C1CC1 ZINC001268098023 961223930 /nfs/dbraw/zinc/22/39/30/961223930.db2.gz NDXXUTSWOQOHKY-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C[C@H](C)CC ZINC001126317689 961262459 /nfs/dbraw/zinc/26/24/59/961262459.db2.gz WYHUNFWNZVOEKS-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO CC(C)(C)c1nc[nH]c1CN1CCC(C#N)CC1 ZINC001142209913 961348224 /nfs/dbraw/zinc/34/82/24/961348224.db2.gz ZEVUCMDFTMTULJ-UHFFFAOYSA-N 1 0 246.358 2.443 20 30 BEEDRO C#CCCCC[NH2+]Cc1nccn1C(C)C ZINC000692919673 961379954 /nfs/dbraw/zinc/37/99/54/961379954.db2.gz QBTFDIBKXUEJIZ-UHFFFAOYSA-N 1 0 219.332 2.357 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)C=C(C)C)C(C)C ZINC001268202290 961408483 /nfs/dbraw/zinc/40/84/83/961408483.db2.gz CAOUREIRUIGRLS-ZDUSSCGKSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)CC1CC1)C(C)C ZINC001268203423 961418302 /nfs/dbraw/zinc/41/83/02/961418302.db2.gz AHPKLDKUUXPFSV-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)C(C)(C)F)C(C)C ZINC001268207311 961421467 /nfs/dbraw/zinc/42/14/67/961421467.db2.gz XKIJZMGVNSOESV-NSHDSACASA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCCC(=O)NC[C@H]([NH2+]CC1CC1)C(C)C ZINC001268208081 961424492 /nfs/dbraw/zinc/42/44/92/961424492.db2.gz XDGVVLXHGNHUIA-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)C1(C)CC1)C(C)C ZINC001268214204 961432146 /nfs/dbraw/zinc/43/21/46/961432146.db2.gz SVXHFZCVFYAXNI-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)/C=C(\C)CC ZINC001268235245 961460823 /nfs/dbraw/zinc/46/08/23/961460823.db2.gz FYUFNPCBIMBKRR-JLHYYAGUSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC ZINC001268267272 961516280 /nfs/dbraw/zinc/51/62/80/961516280.db2.gz FBPXUGKUXFYGDP-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO N#Cc1ccc(C(=[NH2+])N[C@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167896940 961519373 /nfs/dbraw/zinc/51/93/73/961519373.db2.gz GGYUJLWBCNRATF-ITGUQSILSA-N 1 0 225.295 2.062 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC ZINC001496466659 961550708 /nfs/dbraw/zinc/55/07/08/961550708.db2.gz OTGVSRDSEPLIQZ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cn1 ZINC001167900770 961596376 /nfs/dbraw/zinc/59/63/76/961596376.db2.gz AGWZQBBFDKSCNP-MBTKJCJQSA-N 1 0 235.718 2.239 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001481707445 961614886 /nfs/dbraw/zinc/61/48/86/961614886.db2.gz WETFYHDFRSCJNM-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142692916 961630241 /nfs/dbraw/zinc/63/02/41/961630241.db2.gz QIANPERYGUFVRW-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H](F)C(C)C ZINC001268391664 961712177 /nfs/dbraw/zinc/71/21/77/961712177.db2.gz COCNWOYXFLUEIJ-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)CC[NH2+]CC1CC1 ZINC001268392933 961714865 /nfs/dbraw/zinc/71/48/65/961714865.db2.gz SUYXCVJCZCBRNY-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)C(C)(C)F ZINC001268431088 961772820 /nfs/dbraw/zinc/77/28/20/961772820.db2.gz LTAOQAUZCSUCSZ-UHFFFAOYSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1C ZINC001268430983 961773621 /nfs/dbraw/zinc/77/36/21/961773621.db2.gz AGNKLRNKKLYWCE-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C=C2CCC2)C1 ZINC001481765756 961806174 /nfs/dbraw/zinc/80/61/74/961806174.db2.gz YNUFOJNGOZRQTQ-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccnc3[nH]ccc32)C1 ZINC001142879677 961810567 /nfs/dbraw/zinc/81/05/67/961810567.db2.gz ZDNXSWFHNYLHNU-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167912132 961819266 /nfs/dbraw/zinc/81/92/66/961819266.db2.gz HIOJNMQWMWGEIV-DGAVXFQQSA-N 1 0 220.360 2.025 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C=C[C@@H](C)NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001150695248 962193035 /nfs/dbraw/zinc/19/30/35/962193035.db2.gz HUUKTRLCUSJCIP-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO CCOCC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001172411957 974676235 /nfs/dbraw/zinc/67/62/35/974676235.db2.gz TXUGEISOSFYAOL-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C1CCC=CCC1 ZINC001151292060 962258288 /nfs/dbraw/zinc/25/82/88/962258288.db2.gz BHRKAFUKAOLKSS-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)c1ccc(C=C)cc1 ZINC001268663875 962259040 /nfs/dbraw/zinc/25/90/40/962259040.db2.gz PRJKIJXKFVKWNG-GFCCVEGCSA-N 1 0 244.338 2.224 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)c1cc(C)cc(C)c1 ZINC001268668918 962263501 /nfs/dbraw/zinc/26/35/01/962263501.db2.gz HBJYUHNPQMKDNT-CYBMUJFWSA-N 1 0 246.354 2.197 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CC(C)C ZINC001151637715 962312487 /nfs/dbraw/zinc/31/24/87/962312487.db2.gz OKOMNCYOHXVNEF-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(C)(CC)CC ZINC001151601114 962315621 /nfs/dbraw/zinc/31/56/21/962315621.db2.gz XENQIATVVJXLTD-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](CC)CCCCC ZINC001151891438 962349494 /nfs/dbraw/zinc/34/94/94/962349494.db2.gz XWEPGZFZOHTQJI-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](CC)CCCCC ZINC001151891437 962354339 /nfs/dbraw/zinc/35/43/39/962354339.db2.gz XWEPGZFZOHTQJI-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@@H+](CC)CCC ZINC001152399460 962416927 /nfs/dbraw/zinc/41/69/27/962416927.db2.gz VGJFZHVCWUDZFO-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC001153245615 962562254 /nfs/dbraw/zinc/56/22/54/962562254.db2.gz DQVVBZCOOFUIFR-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)CC)C1 ZINC001269268944 962579328 /nfs/dbraw/zinc/57/93/28/962579328.db2.gz RNSDQQZCDPHREK-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)/C(C)=C/C ZINC001269389997 962646808 /nfs/dbraw/zinc/64/68/08/962646808.db2.gz FDPKNZGXZCEINI-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711193835 962651082 /nfs/dbraw/zinc/65/10/82/962651082.db2.gz MJNAWEJCXYCSEB-FICVDOATSA-N 1 0 234.387 2.110 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C1(C)CC1 ZINC001269409238 962662780 /nfs/dbraw/zinc/66/27/80/962662780.db2.gz YAHWEYOBYVECFG-JTQLQIEISA-N 1 0 244.766 2.023 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]CCF ZINC001269408945 962663525 /nfs/dbraw/zinc/66/35/25/962663525.db2.gz VXQZKMQYAXRKPL-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO CC(C)(C)[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254668539 1169812002 /nfs/dbraw/zinc/81/20/02/1169812002.db2.gz IMOMFQCYUMNMHS-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)N=N1 ZINC001254652277 1169811328 /nfs/dbraw/zinc/81/13/28/1169811328.db2.gz BNOAEFBJQLPABR-VXGBXAGGSA-N 1 0 230.315 2.234 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)c1ccccc1C ZINC001154273329 962742327 /nfs/dbraw/zinc/74/23/27/962742327.db2.gz GBMGVMSDFIHCNR-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO Cc1ccc([C@@H](CO)[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC001254652929 1169814751 /nfs/dbraw/zinc/81/47/51/1169814751.db2.gz IISKSHPJRAHOFX-NWANDNLSSA-N 1 0 244.338 2.310 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001254649785 1169814995 /nfs/dbraw/zinc/81/49/95/1169814995.db2.gz QYUPVABXAIENCC-YIOUJQMASA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001254649782 1169815214 /nfs/dbraw/zinc/81/52/14/1169815214.db2.gz QYUPVABXAIENCC-GNRIBBGQSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H]1CC=CCC1 ZINC001154535269 962795266 /nfs/dbraw/zinc/79/52/66/962795266.db2.gz IHPLKYACNGAQSF-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)/C(C)=C/C ZINC001270027203 962843598 /nfs/dbraw/zinc/84/35/98/962843598.db2.gz IXKJKTXXMFKJCS-YQJFHSMKSA-N 1 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RAZDAIZDUJJDSM-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CC1CCCC1 ZINC001155587087 963108476 /nfs/dbraw/zinc/10/84/76/963108476.db2.gz WZWHOWHUOCZDLL-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCCC[NH+]1CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC001254669268 1169819269 /nfs/dbraw/zinc/81/92/69/1169819269.db2.gz QAUTUMWVNQBQHG-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO C#CCNc1cc(N(CCC)CCC)ncn1 ZINC001155654216 963140941 /nfs/dbraw/zinc/14/09/41/963140941.db2.gz OPQXNKBTLJJWFM-UHFFFAOYSA-N 1 0 232.331 2.148 20 30 BEEDRO Cc1c[nH+]c(NC2=CC(=O)CCC2)cc1N ZINC001155710236 963163429 /nfs/dbraw/zinc/16/34/29/963163429.db2.gz PYESPKGSCAQGOZ-UHFFFAOYSA-N 1 0 217.272 2.021 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C=C/C(C)(C)C ZINC001155822275 963178749 /nfs/dbraw/zinc/17/87/49/963178749.db2.gz MTCZQNWCEHBFQL-BQYQJAHWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001155992888 963226599 /nfs/dbraw/zinc/22/65/99/963226599.db2.gz 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/nfs/dbraw/zinc/30/81/32/963308132.db2.gz PMODVBLCNIBRJB-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C ZINC001156543978 963379870 /nfs/dbraw/zinc/37/98/70/963379870.db2.gz JALPAIJALILTCB-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCc1c[nH]c(CC)n1 ZINC001156544773 963380120 /nfs/dbraw/zinc/38/01/20/963380120.db2.gz YOXJDPHSDMPPAV-UHFFFAOYSA-N 1 0 235.331 2.191 20 30 BEEDRO C#CC1([NH2+]C[C@H]2CCC=CO2)CCCC1 ZINC000895675659 963439979 /nfs/dbraw/zinc/43/99/79/963439979.db2.gz SZCFJYDCFGGMOO-GFCCVEGCSA-N 1 0 205.301 2.215 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](C)CCCC ZINC001126560998 963457235 /nfs/dbraw/zinc/45/72/35/963457235.db2.gz NPVKKRHEXSECSZ-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C(=O)NCCCNc1cc(C)cc(C)[nH+]1 ZINC001156821377 963468062 /nfs/dbraw/zinc/46/80/62/963468062.db2.gz XLRLFWDKZHQKGY-UHFFFAOYSA-N 1 0 247.342 2.193 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(C)=O ZINC001482481211 963492001 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963623121 /nfs/dbraw/zinc/62/31/21/963623121.db2.gz UIFVMLFRGGFRPH-ZDEQEGDKSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CC[C@H](CNC(C)=O)CC1 ZINC001271749928 963630801 /nfs/dbraw/zinc/63/08/01/963630801.db2.gz LESWLDCARUKMTN-HDJSIYSDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C=C(/C)CC ZINC001157603219 963673487 /nfs/dbraw/zinc/67/34/87/963673487.db2.gz JXZFWWBNQRLXFR-SEYXRHQNSA-N 1 0 238.375 2.405 20 30 BEEDRO N#Cc1ccc(OC[C@@H]2CCCC[NH2+]C2)c(F)c1 ZINC000697063289 963685213 /nfs/dbraw/zinc/68/52/13/963685213.db2.gz IXJMUOIEWXWYGP-GFCCVEGCSA-N 1 0 248.301 2.466 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)CCO1 ZINC001168104659 963721265 /nfs/dbraw/zinc/72/12/65/963721265.db2.gz MCMVHEBEDZKOOG-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2nccc(C)c2C#N)C1 ZINC001228304461 963740226 /nfs/dbraw/zinc/74/02/26/963740226.db2.gz DCBJRYCBHKLWLB-GFCCVEGCSA-N 1 0 245.326 2.125 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)CCO1 ZINC001168130331 963810652 /nfs/dbraw/zinc/81/06/52/963810652.db2.gz FIBILEALGKIRMK-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)C1CCCCC1 ZINC001482576508 963824809 /nfs/dbraw/zinc/82/48/09/963824809.db2.gz LPFFTDMGRSQDEC-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001158611152 963893859 /nfs/dbraw/zinc/89/38/59/963893859.db2.gz QASORRWSCSIQLJ-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1nc(NCC[C@H]2CCC[NH2+]2)ccc1CC#N ZINC001158627643 963894968 /nfs/dbraw/zinc/89/49/68/963894968.db2.gz WXZOSMWFGCVYNR-CYBMUJFWSA-N 1 0 244.342 2.010 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]CC(=C)C ZINC001158886743 963952157 /nfs/dbraw/zinc/95/21/57/963952157.db2.gz FGBUFZUPUCONQP-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]CCCC ZINC001158895096 963954573 /nfs/dbraw/zinc/95/45/73/963954573.db2.gz ZMSXSNWAHRNJIT-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]CCC ZINC001158895103 963955180 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/nfs/dbraw/zinc/22/01/28/964220128.db2.gz FLLOOEUAJRWALU-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)/C=C(\C)CC ZINC001126758019 964223220 /nfs/dbraw/zinc/22/32/20/964223220.db2.gz LFFLEHHMWFUNGY-XZHRJIJLSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)Nc1c(F)cccc1N1CC[NH2+]CC1 ZINC001160057690 964244644 /nfs/dbraw/zinc/24/46/44/964244644.db2.gz XKHGEXUMBMXQLG-UHFFFAOYSA-N 1 0 235.306 2.181 20 30 BEEDRO C=C(C)Nc1cccc(F)c1N1CC[NH2+]CC1 ZINC001160110908 964251285 /nfs/dbraw/zinc/25/12/85/964251285.db2.gz ZUOKFIDYUSQRIM-UHFFFAOYSA-N 1 0 235.306 2.181 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(CC)CC[NH2+]CC ZINC001482947120 964260813 /nfs/dbraw/zinc/26/08/13/964260813.db2.gz DVRRGLKWDOUECJ-CYBMUJFWSA-N 1 0 226.364 2.047 20 30 BEEDRO COc1ccc2c(c1)C[C@H](N1CC[C@H](C#N)C1)C2 ZINC001168281409 964331292 /nfs/dbraw/zinc/33/12/92/964331292.db2.gz CMUTVVJPACJFGP-BXUZGUMPSA-N 1 0 242.322 2.008 20 30 BEEDRO C=C(C)CN(CC)C(=O)c1ccccc1C[NH3+] ZINC001160688400 964391199 /nfs/dbraw/zinc/39/11/99/964391199.db2.gz BUBXLKHBGDDGMA-UHFFFAOYSA-N 1 0 232.327 2.184 20 30 BEEDRO CC(C)C[C@H](C#N)NC1CCC([NH+](C)C)CC1 ZINC001168304111 964398285 /nfs/dbraw/zinc/39/82/85/964398285.db2.gz PRTSJWPUPKYOMV-ROKHWSDSSA-N 1 0 237.391 2.387 20 30 BEEDRO C=C1CCC(F)=CC1=Nc1cc(C[NH3+])ncn1 ZINC001160716298 964400158 /nfs/dbraw/zinc/40/01/58/964400158.db2.gz JSORZMXRLUWZJM-UHFFFAOYSA-N 1 0 232.262 2.044 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)C1CCC1 ZINC001160778355 964411033 /nfs/dbraw/zinc/41/10/33/964411033.db2.gz HOTSRUFAYUVBJE-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C/C(=N\O)c1ccc(NC2C[NH+](C(C)C)C2)cc1 ZINC001168317431 964430183 /nfs/dbraw/zinc/43/01/83/964430183.db2.gz LGHPZHNIUSKQPB-LFIBNONCSA-N 1 0 247.342 2.389 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1ncccc1F ZINC001160952419 964453857 /nfs/dbraw/zinc/45/38/57/964453857.db2.gz ZXLOFHWXDNTVHW-NSHDSACASA-N 1 0 235.306 2.283 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1nc(C)ncc1C ZINC001160952895 964454083 /nfs/dbraw/zinc/45/40/83/964454083.db2.gz HFJPMJMHZROZBC-ZDUSSCGKSA-N 1 0 246.358 2.156 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCC(C)(F)F ZINC001161185966 964550656 /nfs/dbraw/zinc/55/06/56/964550656.db2.gz RIRNBYRJLXXXLU-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO CC#CCOC1CCN(c2cc[nH+]cc2)CC1 ZINC001224359080 964577794 /nfs/dbraw/zinc/57/77/94/964577794.db2.gz PDIDHNRVCQYIQC-UHFFFAOYSA-N 1 0 230.311 2.090 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC(C)(C)C ZINC001483109243 964582344 /nfs/dbraw/zinc/58/23/44/964582344.db2.gz QMIMAJGPSMPOJR-SNVBAGLBSA-N 1 0 246.782 2.269 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OCC#N ZINC001224380220 964607736 /nfs/dbraw/zinc/60/77/36/964607736.db2.gz FGRPFWZJCMEBFZ-ZFWWWQNUSA-N 1 0 244.338 2.437 20 30 BEEDRO C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](OCC#N)C1 ZINC001224382927 964609887 /nfs/dbraw/zinc/60/98/87/964609887.db2.gz TVTSVKNLTURSGE-QWHCGFSZSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OCC#N ZINC001224389224 964614608 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964854639 /nfs/dbraw/zinc/85/46/39/964854639.db2.gz ROPPERLBJMXSOF-NWDGAFQWSA-N 1 0 213.345 2.038 20 30 BEEDRO N#CC1(Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC001162312931 964925995 /nfs/dbraw/zinc/92/59/95/964925995.db2.gz MINNBRXJJOBNCD-UHFFFAOYSA-N 1 0 213.284 2.148 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000698064661 964958584 /nfs/dbraw/zinc/95/85/84/964958584.db2.gz IMLQYAGEBHWUEI-CLLJXQQHSA-N 1 0 204.317 2.268 20 30 BEEDRO N#Cc1cc(C#N)cc(N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC001162402123 964959382 /nfs/dbraw/zinc/95/93/82/964959382.db2.gz PBTYQRQDOMFPKZ-STQMWFEESA-N 1 0 240.310 2.112 20 30 BEEDRO N#CC1CCN(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001168372402 964959790 /nfs/dbraw/zinc/95/97/90/964959790.db2.gz WPSDVHUUYNHGQF-UHFFFAOYSA-N 1 0 247.386 2.096 20 30 BEEDRO C#CCCCNc1nc(NCCC)cc(C)[nH+]1 ZINC001162433833 964972249 /nfs/dbraw/zinc/97/22/49/964972249.db2.gz IHSQETKPSRAXEY-UHFFFAOYSA-N 1 0 232.331 2.432 20 30 BEEDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)ncc1C#N ZINC001162475543 964990885 /nfs/dbraw/zinc/99/08/85/964990885.db2.gz AYKQQSUFFRSPSA-LBPRGKRZSA-N 1 0 244.342 2.015 20 30 BEEDRO F[C@@H]1C[NH2+][C@H](CNc2ccc(CS)cc2)C1 ZINC001162481690 964994259 /nfs/dbraw/zinc/99/42/59/964994259.db2.gz VHCUDLAMUBHSOI-JQWIXIFHSA-N 1 0 240.347 2.228 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)C=C1CCC1)C1CC1 ZINC001483552825 965037487 /nfs/dbraw/zinc/03/74/87/965037487.db2.gz HHIGIXPZOBEALT-AWEZNQCLSA-N 1 0 248.370 2.157 20 30 BEEDRO CC(C)(C)C(=[NH2+])Nc1ccnc(CC#N)c1 ZINC001162665371 965101811 /nfs/dbraw/zinc/10/18/11/965101811.db2.gz DNFWCVZORLJDQQ-UHFFFAOYSA-N 1 0 216.288 2.005 20 30 BEEDRO C=CCc1cc(C)cnc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162670457 965106629 /nfs/dbraw/zinc/10/66/29/965106629.db2.gz MFTUBSCAHYAKGS-DGCLKSJQSA-N 1 0 231.343 2.281 20 30 BEEDRO N#C[C@@H]1CCCCN1C1CC[NH+](CC2CC2)CC1 ZINC001168387683 965112236 /nfs/dbraw/zinc/11/22/36/965112236.db2.gz PVLJRVBTSZMYQQ-HNNXBMFYSA-N 1 0 247.386 2.239 20 30 BEEDRO Fc1ccc2c(c1)CC[C@@H]([NH2+]CCS)C2 ZINC001168400245 965200615 /nfs/dbraw/zinc/20/06/15/965200615.db2.gz KJIKZNKCQCPQML-GFCCVEGCSA-N 1 0 225.332 2.202 20 30 BEEDRO C#C[C@H]1CCC[C@H]1OCCCC[NH+](C)C ZINC001224991385 965201119 /nfs/dbraw/zinc/20/11/19/965201119.db2.gz RKXQJAYTFLCFNI-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC ZINC001272270931 965232786 /nfs/dbraw/zinc/23/27/86/965232786.db2.gz KQSQATHFKWVATB-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCC(C[NH3+])(CCC)Nc1nccnc1C#N ZINC001163036136 965237973 /nfs/dbraw/zinc/23/79/73/965237973.db2.gz VIWWPBFPUJMGEA-UHFFFAOYSA-N 1 0 247.346 2.058 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000168224189 965244101 /nfs/dbraw/zinc/24/41/01/965244101.db2.gz ZWHZUBLCHXXQQV-UWVGGRQHSA-N 1 0 248.164 2.442 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001231660231 965275491 /nfs/dbraw/zinc/27/54/91/965275491.db2.gz ABZKMEYDZKWUHD-MRXNPFEDSA-N 1 0 241.334 2.279 20 30 BEEDRO CC(C)(CCO)C[NH2+]CC#Cc1ccccc1 ZINC000227953838 965281411 /nfs/dbraw/zinc/28/14/11/965281411.db2.gz IMLKXKLNPBSMMN-UHFFFAOYSA-N 1 0 231.339 2.036 20 30 BEEDRO Cc1ccnc(N(C(C)C)C(C)(C)C[NH3+])c1C#N ZINC001163186625 965288687 /nfs/dbraw/zinc/28/86/87/965288687.db2.gz JJXHMHJRQZFCMF-UHFFFAOYSA-N 1 0 246.358 2.214 20 30 BEEDRO C=C(C[NH2+]C[C@@](C)(O)C(F)F)c1ccccc1 ZINC000698583205 965337924 /nfs/dbraw/zinc/33/79/24/965337924.db2.gz IMNUFYBIPQHECI-CYBMUJFWSA-N 1 0 241.281 2.306 20 30 BEEDRO C#CCNc1cc(OC(C)(C)C)cc[nH+]1 ZINC001163372284 965374228 /nfs/dbraw/zinc/37/42/28/965374228.db2.gz KUBOENRZQIXQNR-UHFFFAOYSA-N 1 0 204.273 2.304 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NC2=CC(=O)CCC2)cn1 ZINC001163468245 965413623 /nfs/dbraw/zinc/41/36/23/965413623.db2.gz LDUPSCCHOYLNJG-VIFPVBQESA-N 1 0 231.299 2.150 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)s1 ZINC001232845761 965418548 /nfs/dbraw/zinc/41/85/48/965418548.db2.gz OSYIMMMKXGPMOT-GWCFXTLKSA-N 1 0 248.351 2.231 20 30 BEEDRO COC(C)(C)[C@H]1CCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233046523 965458755 /nfs/dbraw/zinc/45/87/55/965458755.db2.gz BWWNUEDIEDZEDW-CYBMUJFWSA-N 1 0 247.342 2.276 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)C ZINC001272331229 965495307 /nfs/dbraw/zinc/49/53/07/965495307.db2.gz DMDZOEUVWAQLJU-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(=O)C=C(C)Nc1cccc(C[NH3+])c1 ZINC001163737770 965556255 /nfs/dbraw/zinc/55/62/55/965556255.db2.gz IYYZTSRLNXMLRE-TWGQIWQCSA-N 1 0 204.273 2.050 20 30 BEEDRO COc1cc(N[C@@H](C)C[NH+](C)C)ccc1CC#N ZINC001163776696 965580737 /nfs/dbraw/zinc/58/07/37/965580737.db2.gz HYBZUSXKLAACPC-NSHDSACASA-N 1 0 247.342 2.123 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cccc(F)c1CC#N ZINC001163785435 965590212 /nfs/dbraw/zinc/59/02/12/965590212.db2.gz DHZDBUQZPLWBLO-SNVBAGLBSA-N 1 0 235.306 2.254 20 30 BEEDRO CC(C)CCO[C@H](CC#N)C[N+](C)(C)C ZINC001205084910 965618485 /nfs/dbraw/zinc/61/84/85/965618485.db2.gz DEDIUIRDSAKSEP-GFCCVEGCSA-N 1 0 213.345 2.038 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]CC=C(C)C ZINC001163953264 965658933 /nfs/dbraw/zinc/65/89/33/965658933.db2.gz NGALZHYDVLQGDU-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC1CC1 ZINC001272483628 965671649 /nfs/dbraw/zinc/67/16/49/965671649.db2.gz IKXQRVCVKUKALG-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(C)=O)CC(C)(C)C1 ZINC001089286070 965675106 /nfs/dbraw/zinc/67/51/06/965675106.db2.gz VGSJEAOXZUQTHU-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C[NH3+])nn1-c1ccc(CC#N)c(C)c1 ZINC001163985679 965678148 /nfs/dbraw/zinc/67/81/48/965678148.db2.gz ZBEFJTULDCTCST-UHFFFAOYSA-N 1 0 240.310 2.014 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H]1CC=CCC1 ZINC001163995723 965682301 /nfs/dbraw/zinc/68/23/01/965682301.db2.gz RASNGPHVKCMJEC-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C1(C)CCC1 ZINC001164006775 965690949 /nfs/dbraw/zinc/69/09/49/965690949.db2.gz DXPPIAXSXZWWTJ-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C=CCN1CC[C@]2(CCC[N@@H+]2CC2CCC2)C1=O ZINC001272515773 965718163 /nfs/dbraw/zinc/71/81/63/965718163.db2.gz VSXJWULLGLYEFV-OAHLLOKOSA-N 1 0 248.370 2.039 20 30 BEEDRO C[C@H](Cc1cccc(F)c1)[NH2+]CCS ZINC001168455776 965758831 /nfs/dbraw/zinc/75/88/31/965758831.db2.gz XUIIQNJODOMBAP-SECBINFHSA-N 1 0 213.321 2.276 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(=C)C ZINC001164223591 965801983 /nfs/dbraw/zinc/80/19/83/965801983.db2.gz URTUEWQNRRCSSH-CHWSQXEVSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H]1CCC1(C)C ZINC001164354750 965856815 /nfs/dbraw/zinc/85/68/15/965856815.db2.gz QFDVAKDWTWAHOW-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[NH2+]CCCC ZINC001164360082 965859320 /nfs/dbraw/zinc/85/93/20/965859320.db2.gz DOOAUPRTEPTIHO-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000699531331 965942498 /nfs/dbraw/zinc/94/24/98/965942498.db2.gz JDPDFSBBLPRLFH-JTQLQIEISA-N 1 0 246.301 2.425 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@H](C)NC(=O)C1CC1 ZINC001272598919 965961838 /nfs/dbraw/zinc/96/18/38/965961838.db2.gz BIGHDFALRUJGTN-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+]CCCCC(C)(C)C#N ZINC000699740987 966053987 /nfs/dbraw/zinc/05/39/87/966053987.db2.gz JEWDTXJPIWACSJ-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1cccc(F)c1 ZINC001168501030 966099640 /nfs/dbraw/zinc/09/96/40/966099640.db2.gz OJULAFNUJCDWFA-CYBMUJFWSA-N 1 0 229.298 2.325 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001165531196 966114209 /nfs/dbraw/zinc/11/42/09/966114209.db2.gz RGLQBBIAOMXFOA-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C(C)(C)CC ZINC001165570385 966135890 /nfs/dbraw/zinc/13/58/90/966135890.db2.gz GLKPTLKGCJRHEX-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH2+]C(C)C ZINC001165934331 966201745 /nfs/dbraw/zinc/20/17/45/966201745.db2.gz KLYSCODXCBYNJH-CYBMUJFWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[NH2+]CC1CC1 ZINC001165929144 966202975 /nfs/dbraw/zinc/20/29/75/966202975.db2.gz IOJDWVLECIMVAK-CQSZACIVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]CC1CC1 ZINC001165929143 966203394 /nfs/dbraw/zinc/20/33/94/966203394.db2.gz IOJDWVLECIMVAK-AWEZNQCLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1CC(C)(C(=O)NCCC[NH2+]CCCC)C1 ZINC001166245488 966264392 /nfs/dbraw/zinc/26/43/92/966264392.db2.gz FLOZHTCGWWYZPD-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@H](C)[C@@H](C)CC)CC1 ZINC001483778666 966378802 /nfs/dbraw/zinc/37/88/02/966378802.db2.gz KWCYMVCBHDKPTO-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)C)C1 ZINC001484328963 966456774 /nfs/dbraw/zinc/45/67/74/966456774.db2.gz OZBZTMIMLZOBDM-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC1(CC(=O)N[C@H](C)[C@H](C)[NH3+])CCCCC1 ZINC001521547171 966473399 /nfs/dbraw/zinc/47/33/99/966473399.db2.gz RLETYXOJJUTDEL-NWDGAFQWSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)/C=C(/C)CC ZINC001484741118 966513729 /nfs/dbraw/zinc/51/37/29/966513729.db2.gz OBVWODPBYQOYEY-SEYXRHQNSA-N 1 0 238.375 2.309 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)/C(C)=C\C ZINC001484737548 966514013 /nfs/dbraw/zinc/51/40/13/966514013.db2.gz IXLKBAQFZXMCCQ-QPEQYQDCSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)CC)CC1 ZINC001484910152 966523333 /nfs/dbraw/zinc/52/33/33/966523333.db2.gz NRCAKGYOPQVDQM-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCC[NH+]1CCC(OC2CCC2)CC1 ZINC000691797320 966537180 /nfs/dbraw/zinc/53/71/80/966537180.db2.gz AVQQOMOJQMRVPX-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)c1cc[nH]c1 ZINC001485311398 966585171 /nfs/dbraw/zinc/58/51/71/966585171.db2.gz YFRCWAIEHRWLCU-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC001485559612 966615234 /nfs/dbraw/zinc/61/52/34/966615234.db2.gz ZJZDEHSUUYZHTO-WCQYABFASA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCC(OCC)CC1 ZINC000691238769 966642566 /nfs/dbraw/zinc/64/25/66/966642566.db2.gz BOYUBGODVVAJKI-HIFPTAJRSA-N 1 0 209.333 2.336 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H]1CC[C@H](NC(C)=O)CC1 ZINC001272708157 966668777 /nfs/dbraw/zinc/66/87/77/966668777.db2.gz MPSYGYXJZOAYLR-HAQNSBGRSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@@H](C)CC[NH+](C)C ZINC001298460611 1169894553 /nfs/dbraw/zinc/89/45/53/1169894553.db2.gz HUEQXDZODIOKFU-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@H](C)CC[NH+](C)C ZINC001298460610 1169896414 /nfs/dbraw/zinc/89/64/14/1169896414.db2.gz HUEQXDZODIOKFU-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)c2)CCC[C@H]1O ZINC001203758003 966773374 /nfs/dbraw/zinc/77/33/74/966773374.db2.gz YKXZUKVARPQVAV-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO CCCCCCCCOC(=O)NCC[NH2+]C ZINC001239315109 966848196 /nfs/dbraw/zinc/84/81/96/966848196.db2.gz JBOIEBTYPCFDCO-UHFFFAOYSA-N 1 0 230.352 2.293 20 30 BEEDRO CCCCCCCOC(=O)N[C@H]1C[NH2+]C[C@@H]1C ZINC001239317681 966852000 /nfs/dbraw/zinc/85/20/00/966852000.db2.gz HEHWEAPTARFDFO-RYUDHWBXSA-N 1 0 242.363 2.291 20 30 BEEDRO CCCCCCCCOC(=O)N(C)C1C[NH2+]C1 ZINC001239334998 966861898 /nfs/dbraw/zinc/86/18/98/966861898.db2.gz WYIAGTWSTQGSTC-UHFFFAOYSA-N 1 0 242.363 2.387 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H]1CCC[C@@H]1C ZINC001127928236 966866521 /nfs/dbraw/zinc/86/65/21/966866521.db2.gz HAOIQCKYEHZRMK-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCN1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001204171429 966914351 /nfs/dbraw/zinc/91/43/51/966914351.db2.gz IXCJUWJIFMPZFD-UHFFFAOYSA-N 1 0 230.355 2.299 20 30 BEEDRO C=C(C)CC[NH2+]CC1CCN(C(=O)CC)CC1 ZINC001204190100 966918382 /nfs/dbraw/zinc/91/83/82/966918382.db2.gz KNCPNCAGDJPSFH-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@@H](c2ccc(OC)cc2)C1 ZINC001168582207 966920837 /nfs/dbraw/zinc/92/08/37/966920837.db2.gz CPDQZROGAVYQPR-UKRRQHHQSA-N 1 0 245.322 2.138 20 30 BEEDRO O=C1C=C2CN(Cc3ccoc3)CC[C@@H]2S1 ZINC001204242092 966938196 /nfs/dbraw/zinc/93/81/96/966938196.db2.gz SUVKMLGIQYESHD-NSHDSACASA-N 1 0 235.308 2.054 20 30 BEEDRO CC[NH+](CC)CCN(C)Cc1ccccc1C#N ZINC001204366504 966982349 /nfs/dbraw/zinc/98/23/49/966982349.db2.gz LPCGGMLBBGTPFS-UHFFFAOYSA-N 1 0 245.370 2.332 20 30 BEEDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccc3C#N)C[C@H]12 ZINC001204373853 966984715 /nfs/dbraw/zinc/98/47/15/966984715.db2.gz VVOOHOSVWVFPKF-KCPJHIHWSA-N 1 0 242.322 2.025 20 30 BEEDRO CO[C@@H](C)C1CN(Cc2ccccc2C#N)C1 ZINC001204373412 966987922 /nfs/dbraw/zinc/98/79/22/966987922.db2.gz SKFUBWKCRGLDPA-NSHDSACASA-N 1 0 230.311 2.025 20 30 BEEDRO C=C/C(=N\COC)c1ccc(C[NH+](C)C)cc1 ZINC001204620010 967106081 /nfs/dbraw/zinc/10/60/81/967106081.db2.gz GJAORQRVHKCPCG-CCEZHUSRSA-N 1 0 232.327 2.327 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001205025248 967119683 /nfs/dbraw/zinc/11/96/83/967119683.db2.gz FDIHVIFOAOAFOL-CQSZACIVSA-N 1 0 217.312 2.464 20 30 BEEDRO C=CCCC(=O)N1CCC(C[NH2+]CCC)CC1 ZINC001204753452 967150883 /nfs/dbraw/zinc/15/08/83/967150883.db2.gz JWLGDIUOLHMGKK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(CC=C)CC=C ZINC001128088023 967163071 /nfs/dbraw/zinc/16/30/71/967163071.db2.gz IKIPOYLXCDQEQX-UHFFFAOYSA-N 1 0 236.359 2.037 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2cc(C#N)ccc2Cl)C1 ZINC001204783621 967164463 /nfs/dbraw/zinc/16/44/63/967164463.db2.gz VFJPIUNRPWDEDK-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CC(N[C@H]1CCNc2ccccc21)=[NH+]COC ZINC001168640769 967171353 /nfs/dbraw/zinc/17/13/53/967171353.db2.gz NRBZMAAMOBXEBK-ZDUSSCGKSA-N 1 0 245.326 2.321 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]([NH3+])[C@@H](F)C2)CC1 ZINC001204891393 967217405 /nfs/dbraw/zinc/21/74/05/967217405.db2.gz MMJRXYXNNVJEGJ-RDBSUJKOSA-N 1 0 238.350 2.270 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CC(C)(C)CC ZINC001128139724 967248044 /nfs/dbraw/zinc/24/80/44/967248044.db2.gz KUAJXGSXFRKRLC-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CC(C)(C)CC ZINC001128144409 967250806 /nfs/dbraw/zinc/25/08/06/967250806.db2.gz JUWAVMMMMQCTBA-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO N#CCC[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168680899 967292780 /nfs/dbraw/zinc/29/27/80/967292780.db2.gz XGZFUDVRVBDTTA-JTQLQIEISA-N 1 0 220.703 2.310 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC1CCC1 ZINC001485860720 967296907 /nfs/dbraw/zinc/29/69/07/967296907.db2.gz CPEMKNWGKKUKBP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CCCF ZINC001485910212 967311202 /nfs/dbraw/zinc/31/12/02/967311202.db2.gz AWTQQFZAXHUJOQ-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC1(C)C ZINC001485914305 967311494 /nfs/dbraw/zinc/31/14/94/967311494.db2.gz VHNNIMHICXLIBB-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C[NH+](C)CCOc1ccc(CCCC#N)cc1 ZINC001250061320 967325717 /nfs/dbraw/zinc/32/57/17/967325717.db2.gz ZPKHUWVCFDKAEG-UHFFFAOYSA-N 1 0 232.327 2.473 20 30 BEEDRO C[NH+](C)CCCn1cc(CCCCC#N)cn1 ZINC001250065013 967328041 /nfs/dbraw/zinc/32/80/41/967328041.db2.gz DQNDTCJVQWSDOS-UHFFFAOYSA-N 1 0 234.347 2.071 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccccc1CC#N ZINC001205083065 967335611 /nfs/dbraw/zinc/33/56/11/967335611.db2.gz OGAMXTGKKJQHNF-WFASDCNBSA-N 1 0 243.354 2.064 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1(SC)CCC1 ZINC000320729311 967367157 /nfs/dbraw/zinc/36/71/57/967367157.db2.gz JYQAUOZCTJLFQR-NSHDSACASA-N 1 0 229.389 2.189 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)CCc1cccnc1 ZINC001205137407 967384712 /nfs/dbraw/zinc/38/47/12/967384712.db2.gz YCPAPNSDUMIZAE-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C1CC[NH+](CC)CC1 ZINC001486443954 967387135 /nfs/dbraw/zinc/38/71/35/967387135.db2.gz NTHMNFQFWHEZPQ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCN1Cc2ccccc2[C@@H](C)C1 ZINC001205164878 967405439 /nfs/dbraw/zinc/40/54/39/967405439.db2.gz UHKJYDFGAXPCPU-ZDUSSCGKSA-N 1 0 230.355 2.381 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(C#N)c1Cl ZINC001205182640 967410950 /nfs/dbraw/zinc/41/09/50/967410950.db2.gz FTLLXPNMHWTSFC-BXKDBHETSA-N 1 0 249.745 2.133 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(C)(C)C(=C)Cl ZINC001128190606 967420500 /nfs/dbraw/zinc/42/05/00/967420500.db2.gz UKVCEENSXWYHOV-UHFFFAOYSA-N 1 0 244.766 2.047 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(Cl)cc1C#N ZINC001205197137 967423254 /nfs/dbraw/zinc/42/32/54/967423254.db2.gz HOMSLWSVVCFYOH-NOZJJQNGSA-N 1 0 249.745 2.133 20 30 BEEDRO C[C@@]1([NH2+]Cc2csc(C#N)c2)CCCOC1 ZINC000921961703 967434243 /nfs/dbraw/zinc/43/42/43/967434243.db2.gz REQAAXVBJAIGLW-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CC[C@H](C)F ZINC001128245644 967439068 /nfs/dbraw/zinc/43/90/68/967439068.db2.gz DNZQGAYZIIXSDF-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C[C@]1([NH3+])CCCN(Cc2ccccc2C#N)CC1 ZINC001205263886 967458139 /nfs/dbraw/zinc/45/81/39/967458139.db2.gz DVAODVNCHGFRRV-HNNXBMFYSA-N 1 0 243.354 2.262 20 30 BEEDRO C[N@H+]1CC=C(CC(=O)c2cccc(C#N)c2)CC1 ZINC001250288933 967628055 /nfs/dbraw/zinc/62/80/55/967628055.db2.gz CNUHHUQOGOHXHH-UHFFFAOYSA-N 1 0 240.306 2.393 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001273027492 967657764 /nfs/dbraw/zinc/65/77/64/967657764.db2.gz XKMLRZYJSIJHLS-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO N#Cc1ccnc(Nc2ccc3c[nH+]cn3c2)c1 ZINC001250322488 967701521 /nfs/dbraw/zinc/70/15/21/967701521.db2.gz ANMGKNWLAFZEEQ-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO COCC[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695785334 967806870 /nfs/dbraw/zinc/80/68/70/967806870.db2.gz BNNWWHCZQDTSCZ-WDEREUQCSA-N 1 0 212.337 2.329 20 30 BEEDRO [NH3+][C@@H]1CCC[C@H](Nc2cccc(/C=N/O)c2)C1 ZINC001162401721 967828085 /nfs/dbraw/zinc/82/80/85/967828085.db2.gz MLIMKEZTIQAFJP-JXIANXGOSA-N 1 0 233.315 2.177 20 30 BEEDRO N#CC1(CNc2cccc3c2C[NH2+]CC3)CCC1 ZINC001162412402 967834217 /nfs/dbraw/zinc/83/42/17/967834217.db2.gz QHJJLGITANLPCC-UHFFFAOYSA-N 1 0 241.338 2.438 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCCC2CCCCC2)N1 ZINC000703236087 967845067 /nfs/dbraw/zinc/84/50/67/967845067.db2.gz FSBAKPKQBNUMHC-LLVKDONJSA-N 1 0 223.364 2.284 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCCCC)C1 ZINC001206018525 967975894 /nfs/dbraw/zinc/97/58/94/967975894.db2.gz PYKUPOQLJNPQCV-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C)CC)C1 ZINC001206066377 968035328 /nfs/dbraw/zinc/03/53/28/968035328.db2.gz VNYCFVYYOXPQJG-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001163777666 968115210 /nfs/dbraw/zinc/11/52/10/968115210.db2.gz YCUDYYUSUHEPTP-JTQLQIEISA-N 1 0 242.326 2.402 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1CC[C@H](C[NH2+]CC)C1 ZINC001278585752 968159186 /nfs/dbraw/zinc/15/91/86/968159186.db2.gz NXDUOCLESJBOCM-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@H](OCC[NH+]1CCCC1)c1ccccc1 ZINC001206302988 968208851 /nfs/dbraw/zinc/20/88/51/968208851.db2.gz WDFIDISWMUKJFL-HNNXBMFYSA-N 1 0 229.323 2.473 20 30 BEEDRO COc1nscc1CN(C)[C@@H](C)CCC#N ZINC000723214289 968221072 /nfs/dbraw/zinc/22/10/72/968221072.db2.gz HMOVFORAOSCRHZ-VIFPVBQESA-N 1 0 239.344 2.276 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ncccc2F)C1 ZINC001206411561 968287639 /nfs/dbraw/zinc/28/76/39/968287639.db2.gz WSZIYTZSPFFADK-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO N#Cc1cccc(C#N)c1Nc1cc[nH+]c(N)c1 ZINC001206550572 968375022 /nfs/dbraw/zinc/37/50/22/968375022.db2.gz XQMJBYPXJFVDSC-UHFFFAOYSA-N 1 0 235.250 2.151 20 30 BEEDRO N#Cc1cccc(Nc2cc[nH+]c(N)c2)c1F ZINC001206557040 968380074 /nfs/dbraw/zinc/38/00/74/968380074.db2.gz ICJXHYPDZLOQCW-UHFFFAOYSA-N 1 0 228.230 2.418 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@H](C)O)c1cccc(C#N)c1 ZINC001251971806 968411980 /nfs/dbraw/zinc/41/19/80/968411980.db2.gz OZQJMMLKJJEFRG-SMDDNHRTSA-N 1 0 232.327 2.226 20 30 BEEDRO CCCCCCCCCCC[NH2+]C[C@H](O)CO ZINC001252071026 968485656 /nfs/dbraw/zinc/48/56/56/968485656.db2.gz YAMSJBUKBHJDAS-AWEZNQCLSA-N 1 0 245.407 2.460 20 30 BEEDRO Cc1cnc(NCC(C)(C)C[NH+](C)C)cc1C#N ZINC001168766357 968522230 /nfs/dbraw/zinc/52/22/30/968522230.db2.gz GXFOEBOICNJWDJ-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CC[C@@H]([NH2+][C@@H](C)CCO)c1cccc(C#N)c1[O-] ZINC000822658673 968529162 /nfs/dbraw/zinc/52/91/62/968529162.db2.gz NYUNEOVEGDPUAZ-GXFFZTMASA-N 1 0 248.326 2.075 20 30 BEEDRO C#CC1CC[NH+](Cc2ncccc2F)CC1 ZINC001207036244 968569656 /nfs/dbraw/zinc/56/96/56/968569656.db2.gz UMKYITFIPCWWPV-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2cscn2)C1 ZINC000829773094 968569757 /nfs/dbraw/zinc/56/97/57/968569757.db2.gz ANBCBFQPBMOLJU-LLVKDONJSA-N 1 0 220.341 2.378 20 30 BEEDRO Fc1ccc(C[NH+]2CCC(S)CC2)nc1 ZINC001207041414 968573516 /nfs/dbraw/zinc/57/35/16/968573516.db2.gz ZKHKILNYKCCFRZ-UHFFFAOYSA-N 1 0 226.320 2.115 20 30 BEEDRO Cc1ccnc(C#N)c1NCC(C)(C)C[NH+](C)C ZINC001168768530 968575022 /nfs/dbraw/zinc/57/50/22/968575022.db2.gz ATGFZKMUJMJJIH-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CC(C)=Cc1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001240634946 968592095 /nfs/dbraw/zinc/59/20/95/968592095.db2.gz QRIZCDGEYQTGEQ-UHFFFAOYSA-N 1 0 241.338 2.391 20 30 BEEDRO CCCC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC001252116535 968603113 /nfs/dbraw/zinc/60/31/13/968603113.db2.gz XYUVTCHGQHKJBD-JTQLQIEISA-N 1 0 238.356 2.260 20 30 BEEDRO C#CC1([NH2+]C[C@@H](O)CCCC)CCCCC1 ZINC001252122809 968605327 /nfs/dbraw/zinc/60/53/27/968605327.db2.gz MMSWXUFGINFDKU-ZDUSSCGKSA-N 1 0 223.360 2.463 20 30 BEEDRO CCCCCCCC[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC001252121125 968605797 /nfs/dbraw/zinc/60/57/97/968605797.db2.gz CHMPPEWYJYBZFT-ZIAGYGMSSA-N 1 0 243.391 2.165 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cc1C#N ZINC001207106308 968632578 /nfs/dbraw/zinc/63/25/78/968632578.db2.gz JJADDRQVOVIDEZ-GFCCVEGCSA-N 1 0 242.326 2.022 20 30 BEEDRO Cn1cc(C[N@@H+]2CC3CCC2CC3)cc1C#N ZINC001207106006 968633230 /nfs/dbraw/zinc/63/32/30/968633230.db2.gz CIMKRCKJISNFDU-UHFFFAOYSA-N 1 0 229.327 2.271 20 30 BEEDRO C[NH+](C)CC(C)(C)CN1CCC[C@@H](CC#N)C1 ZINC001207286914 968718853 /nfs/dbraw/zinc/71/88/53/968718853.db2.gz WIJSAYDPWKLPIZ-ZDUSSCGKSA-N 1 0 237.391 2.200 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C(C)(C)C ZINC000134926428 968732513 /nfs/dbraw/zinc/73/25/13/968732513.db2.gz PUJPDBVAORJQPA-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)c1cc([C@H]2CCC[NH2+]C2)nc(C)n1 ZINC001240833295 968734981 /nfs/dbraw/zinc/73/49/81/968734981.db2.gz MWUAHSZGFBFMMJ-NSHDSACASA-N 1 0 217.316 2.285 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](C)CCCCC ZINC001252486766 968743909 /nfs/dbraw/zinc/74/39/09/968743909.db2.gz HFXPLKFFBLWHAY-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]CCCC1CCCC1 ZINC001252488341 968745462 /nfs/dbraw/zinc/74/54/62/968745462.db2.gz KZNXNTABOZRPFW-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H]1CCCCC1(C)C ZINC001252492070 968750451 /nfs/dbraw/zinc/75/04/51/968750451.db2.gz AMQVLGXGRULCAX-CHWSQXEVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@H](C=C)c1ccccc1 ZINC001252498408 968753620 /nfs/dbraw/zinc/75/36/20/968753620.db2.gz MUVKVAHACUOZDQ-HUUCEWRRSA-N 1 0 247.338 2.067 20 30 BEEDRO C=C(C)c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001240836476 968755869 /nfs/dbraw/zinc/75/58/69/968755869.db2.gz MBOQQPHXMZOQBF-CYBMUJFWSA-N 1 0 203.285 2.460 20 30 BEEDRO C=CC[N@@H+](C)CCc1cccc(OC)c1 ZINC001207430518 968763185 /nfs/dbraw/zinc/76/31/85/968763185.db2.gz HLQNTRFBRIQNLE-UHFFFAOYSA-N 1 0 205.301 2.356 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001252541519 968775561 /nfs/dbraw/zinc/77/55/61/968775561.db2.gz NKNOIDIQVAFEIU-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1sccc1C ZINC001252541489 968776932 /nfs/dbraw/zinc/77/69/32/968776932.db2.gz MNUXRABOTBFLKC-LLVKDONJSA-N 1 0 211.330 2.083 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC001252554215 968792124 /nfs/dbraw/zinc/79/21/24/968792124.db2.gz DDGJKVROMRDVFZ-UONOGXRCSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001252550927 968793705 /nfs/dbraw/zinc/79/37/05/968793705.db2.gz RLCYEFSIXCJYLX-UPJWGTAASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001252554802 968796398 /nfs/dbraw/zinc/79/63/98/968796398.db2.gz LWXIQVFOGUQGSP-CVEARBPZSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001252556244 968800561 /nfs/dbraw/zinc/80/05/61/968800561.db2.gz FJYREZINKLMUBK-MCIONIFRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CC2(C1)CCCCC2 ZINC001252556497 968801423 /nfs/dbraw/zinc/80/14/23/968801423.db2.gz CFTRQTUMOBMREL-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1Cc2ccccc2C[C@H]1C ZINC001252558796 968804909 /nfs/dbraw/zinc/80/49/09/968804909.db2.gz OBKPKGXSDAWCOY-DOMZBBRYSA-N 1 0 231.339 2.370 20 30 BEEDRO C=C[C@](C)(O)CNc1cccc(C[NH+](C)C)c1 ZINC001252559712 968805122 /nfs/dbraw/zinc/80/51/22/968805122.db2.gz BGRDKEZRYBMDQJ-AWEZNQCLSA-N 1 0 234.343 2.097 20 30 BEEDRO C=CC[NH+]1CCN(CCc2ccccc2F)CC1 ZINC001207500463 968806803 /nfs/dbraw/zinc/80/68/03/968806803.db2.gz SDGIYULLNBOLEE-UHFFFAOYSA-N 1 0 248.345 2.172 20 30 BEEDRO C=C[C@](C)(O)CNc1ccc(CC[NH+](C)C)cc1 ZINC001252566708 968815779 /nfs/dbraw/zinc/81/57/79/968815779.db2.gz MOTUULQCIMSGLP-HNNXBMFYSA-N 1 0 248.370 2.140 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@@H]1CCCC[C@H]1C ZINC001252569273 968818345 /nfs/dbraw/zinc/81/83/45/968818345.db2.gz RAZMOGZHLARPBU-AGIUHOORSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC001252568498 968818657 /nfs/dbraw/zinc/81/86/57/968818657.db2.gz LBPDEOKKQZDDDB-OCCSQVGLSA-N 1 0 233.311 2.037 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCCO1 ZINC000829180612 968820793 /nfs/dbraw/zinc/82/07/93/968820793.db2.gz VZHDXYFBZJIKRV-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000829180370 968821407 /nfs/dbraw/zinc/82/14/07/968821407.db2.gz SYZNORDUJJNJRH-NEPJUHHUSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179471 968822218 /nfs/dbraw/zinc/82/22/18/968822218.db2.gz MIHNDTXBEOYWOC-YPMHNXCESA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1F ZINC001252572873 968822387 /nfs/dbraw/zinc/82/23/87/968822387.db2.gz VUFFYXGSFPATNH-GFCCVEGCSA-N 1 0 245.244 2.131 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(F)cc(F)c1F ZINC001252572874 968822800 /nfs/dbraw/zinc/82/28/00/968822800.db2.gz VUFFYXGSFPATNH-LBPRGKRZSA-N 1 0 245.244 2.131 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(SC)cc1 ZINC001252572531 968823569 /nfs/dbraw/zinc/82/35/69/968823569.db2.gz REHGVDAOBKORHX-CYBMUJFWSA-N 1 0 237.368 2.435 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc2ncccc12 ZINC001252574821 968824593 /nfs/dbraw/zinc/82/45/93/968824593.db2.gz RLXFTOUDXCLTSV-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C[C@H](CO)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829178065 968825048 /nfs/dbraw/zinc/82/50/48/968825048.db2.gz AOGHTICCRYVMPO-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)c(F)c1F ZINC001252576315 968828386 /nfs/dbraw/zinc/82/83/86/968828386.db2.gz KMRFJEWEKPSBMT-CYBMUJFWSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001252577829 968830134 /nfs/dbraw/zinc/83/01/34/968830134.db2.gz MSZKQDMNFKVQMT-ZIAGYGMSSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC001252578636 968830819 /nfs/dbraw/zinc/83/08/19/968830819.db2.gz FOAVEBPBERJVPW-GJZGRUSLSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](c1ccncc1)C1CC1 ZINC001252577571 968830830 /nfs/dbraw/zinc/83/08/30/968830830.db2.gz KOYKXNLJJDNWHU-KBPBESRZSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC001252579996 968831827 /nfs/dbraw/zinc/83/18/27/968831827.db2.gz ZXWLHWRVPRZFKW-WFASDCNBSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC001252580792 968832351 /nfs/dbraw/zinc/83/23/51/968832351.db2.gz UBPARJBXJFKDCF-OAHLLOKOSA-N 1 0 248.370 2.194 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2onc(C)c2c1 ZINC001252582421 968834536 /nfs/dbraw/zinc/83/45/36/968834536.db2.gz RQVMNFYLPSCLEQ-AWEZNQCLSA-N 1 0 246.310 2.163 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(CC(C)C)CCOCC1 ZINC001252581259 968835250 /nfs/dbraw/zinc/83/52/50/968835250.db2.gz ZCNOIOMPMSHBGG-ZDUSSCGKSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCCCC1(C)C ZINC001252583848 968837631 /nfs/dbraw/zinc/83/76/31/968837631.db2.gz UMWDBSYGMIFNDB-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cccc2cccnc21 ZINC001252585672 968839866 /nfs/dbraw/zinc/83/98/66/968839866.db2.gz RNQUNUOTVDOZJC-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCCOc1ccccc1 ZINC001252585942 968840033 /nfs/dbraw/zinc/84/00/33/968840033.db2.gz WDLFVRWBZRHVNA-OAHLLOKOSA-N 1 0 249.354 2.372 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1cncc(Cl)c1 ZINC001252586031 968840088 /nfs/dbraw/zinc/84/00/88/968840088.db2.gz WUWIIZXXOJOUJA-BXKDBHETSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccccc1OC ZINC001252586492 968840121 /nfs/dbraw/zinc/84/01/21/968840121.db2.gz IZRUFXSAXZRPCU-AWEZNQCLSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(F)c(F)c1 ZINC001252585866 968840292 /nfs/dbraw/zinc/84/02/92/968840292.db2.gz AHPBVPCHQPENFJ-LLVKDONJSA-N 1 0 241.281 2.382 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207627519 968842048 /nfs/dbraw/zinc/84/20/48/968842048.db2.gz AFPSNHUHNBSGTH-REWJHTLYSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccccc1C ZINC001252587880 968842162 /nfs/dbraw/zinc/84/21/62/968842162.db2.gz XZSGKBGBJPHZNM-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628005 968843868 /nfs/dbraw/zinc/84/38/68/968843868.db2.gz FDYYAJVCVNMVMP-FQUUOJAGSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(Cl)ccn1 ZINC001252589239 968845303 /nfs/dbraw/zinc/84/53/03/968845303.db2.gz LPRHEVOASVDROE-LBPRGKRZSA-N 1 0 240.734 2.152 20 30 BEEDRO N#C[C@H]1CCC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628007 968845902 /nfs/dbraw/zinc/84/59/02/968845902.db2.gz FDYYAJVCVNMVMP-REWJHTLYSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCC(F)(F)C1 ZINC001252589913 968846175 /nfs/dbraw/zinc/84/61/75/968846175.db2.gz UEASSIBSZJRQNW-NXEZZACHSA-N 1 0 219.275 2.091 20 30 BEEDRO C=CCC[C@H](O)CNc1c(C)[nH+]c2ccccn21 ZINC001252591398 968848273 /nfs/dbraw/zinc/84/82/73/968848273.db2.gz RUGPZHVQVCKVOV-LBPRGKRZSA-N 1 0 245.326 2.382 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](F)CC1 ZINC001252593575 968848501 /nfs/dbraw/zinc/84/85/01/968848501.db2.gz KLLXGPGDKCGMOG-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCC[C@H](O)CNc1[nH+]c(C)ccc1C ZINC001252591156 968848658 /nfs/dbraw/zinc/84/86/58/968848658.db2.gz LBRFFSFVJPFXKL-LBPRGKRZSA-N 1 0 220.316 2.437 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CCC[C@@H]2C1 ZINC001252595374 968852986 /nfs/dbraw/zinc/85/29/86/968852986.db2.gz HCLUSYCYYGIVBV-MCIONIFRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](F)CC1 ZINC001252593571 968853017 /nfs/dbraw/zinc/85/30/17/968853017.db2.gz KLLXGPGDKCGMOG-NEPJUHHUSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CCC[C@@H]2C1 ZINC001252595375 968854608 /nfs/dbraw/zinc/85/46/08/968854608.db2.gz HCLUSYCYYGIVBV-MJBXVCDLSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(OCCC)CC1 ZINC001252599970 968857175 /nfs/dbraw/zinc/85/71/75/968857175.db2.gz RNYRVGAGQUMHGC-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](C(F)F)C1 ZINC001252599836 968857512 /nfs/dbraw/zinc/85/75/12/968857512.db2.gz LJCPOVAPTXBUCV-WDEREUQCSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CCCCCO)C(C)C ZINC001252602539 968860710 /nfs/dbraw/zinc/86/07/10/968860710.db2.gz TYJQQHCYCDOZJK-AWEZNQCLSA-N 1 0 243.391 2.187 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC001252612210 968867800 /nfs/dbraw/zinc/86/78/00/968867800.db2.gz KILYLJCZGXCVCM-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cnc(Cl)s1 ZINC001252612265 968867894 /nfs/dbraw/zinc/86/78/94/968867894.db2.gz KSOPSCUZKHWSIE-QMMMGPOBSA-N 1 0 246.763 2.213 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(OC)cc1 ZINC001252613956 968870300 /nfs/dbraw/zinc/87/03/00/968870300.db2.gz DLBFIVUFOPFVEO-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC001207740760 968870731 /nfs/dbraw/zinc/87/07/31/968870731.db2.gz FLLSDPRGHWECNI-CKXPSTMWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]([S@](C)=O)C1 ZINC001207732821 968872263 /nfs/dbraw/zinc/87/22/63/968872263.db2.gz PQWKWXKUNSAKLC-OXIQGZBJSA-N 1 0 229.389 2.230 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC[C@@H](O)c1ccccc1 ZINC001252615956 968874771 /nfs/dbraw/zinc/87/47/71/968874771.db2.gz JAWSLFKUPWCEKI-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC001252616433 968874950 /nfs/dbraw/zinc/87/49/50/968874950.db2.gz OXFRJPXPBXTQDT-HOTGVXAUSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1cccnc1 ZINC001252616287 968875121 /nfs/dbraw/zinc/87/51/21/968875121.db2.gz NHGCNRCTLJOISA-KBPBESRZSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1COc2ccccc21 ZINC001252615700 968875614 /nfs/dbraw/zinc/87/56/14/968875614.db2.gz CZAUKRFMASCYCK-AAEUAGOBSA-N 1 0 233.311 2.037 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCc2ncccc21 ZINC001252617573 968876815 /nfs/dbraw/zinc/87/68/15/968876815.db2.gz FVMMKICOCDEXOQ-WFASDCNBSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(F)c(C#N)c1 ZINC001252618100 968876857 /nfs/dbraw/zinc/87/68/57/968876857.db2.gz PAQFIDBDOHCGBV-CYBMUJFWSA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCCc2ncccc21 ZINC001252617570 968877242 /nfs/dbraw/zinc/87/72/42/968877242.db2.gz FVMMKICOCDEXOQ-DOMZBBRYSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCCc1ccc(C)nc1 ZINC001252617698 968877682 /nfs/dbraw/zinc/87/76/82/968877682.db2.gz IUNPMHJQMJIDHZ-HNNXBMFYSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc2ncoc2c1 ZINC001252620105 968879389 /nfs/dbraw/zinc/87/93/89/968879389.db2.gz ISUJHUUFYDJHEJ-LBPRGKRZSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1CC2(C1)CC(F)(F)C2 ZINC001252619085 968879466 /nfs/dbraw/zinc/87/94/66/968879466.db2.gz JBGCLLUVXDAGTA-NSHDSACASA-N 1 0 245.313 2.481 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ncc(Cl)s1 ZINC001252619280 968880569 /nfs/dbraw/zinc/88/05/69/968880569.db2.gz KJPUBTWXLKGOMN-MRVPVSSYSA-N 1 0 246.763 2.213 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCOCC1 ZINC001207773659 968882191 /nfs/dbraw/zinc/88/21/91/968882191.db2.gz FWQNPUYBIVVBFH-AGIUHOORSA-N 1 0 234.343 2.085 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCCCCS ZINC001252623284 968883059 /nfs/dbraw/zinc/88/30/59/968883059.db2.gz IJWILXZBZJVKGM-GFCCVEGCSA-N 1 0 231.405 2.393 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1CCC(OCC)CC1 ZINC001252621988 968883859 /nfs/dbraw/zinc/88/38/59/968883859.db2.gz LYXJSFLCMZKTJO-ROKHWSDSSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCc2cc(C)ncc21 ZINC001252622353 968883871 /nfs/dbraw/zinc/88/38/71/968883871.db2.gz SQAWHJPCRYKXQL-DZGCQCFKSA-N 1 0 246.354 2.294 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)Cc1ccccn1 ZINC001252623617 968886274 /nfs/dbraw/zinc/88/62/74/968886274.db2.gz NJLBEDLIKSPHHP-AWEZNQCLSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@H](C)CC)C1 ZINC001207915207 968929121 /nfs/dbraw/zinc/92/91/21/968929121.db2.gz UYUIMXABGJQGGC-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCCCO1 ZINC001207956794 968954667 /nfs/dbraw/zinc/95/46/67/968954667.db2.gz ONNJCVPBTOXONA-YIYPIFLZSA-N 1 0 234.343 2.322 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001207985879 968970069 /nfs/dbraw/zinc/97/00/69/968970069.db2.gz AZTFZHLGGDQOGW-RSKUSDAESA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2(C)CCOCC2)C1 ZINC001208076928 968981460 /nfs/dbraw/zinc/98/14/60/968981460.db2.gz MRTQXXVFGXNNQT-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO CC(=O)C=C(C)Nc1cc(-n2ccnc2)cc[nH+]1 ZINC001155892466 969114648 /nfs/dbraw/zinc/11/46/48/969114648.db2.gz OCPVKNQSYDKOAJ-YFHOEESVSA-N 1 0 242.282 2.172 20 30 BEEDRO C[NH+](C)CC1(CN2CCC[C@H](C#N)C2)CCCC1 ZINC001208185687 969117129 /nfs/dbraw/zinc/11/71/29/969117129.db2.gz HTULKIYHQWUDGS-CQSZACIVSA-N 1 0 249.402 2.344 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CCC#N ZINC001253228394 969117821 /nfs/dbraw/zinc/11/78/21/969117821.db2.gz SZSRDIGAQZRJBW-ZDUSSCGKSA-N 1 0 224.348 2.377 20 30 BEEDRO C[NH+](C)CC1(CN2CCCC[C@@H]2C#N)CCCC1 ZINC001208185831 969119005 /nfs/dbraw/zinc/11/90/05/969119005.db2.gz IULFYNBGXDYORY-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@@H]1CCOC1 ZINC001253246264 969119625 /nfs/dbraw/zinc/11/96/25/969119625.db2.gz LPLWEWKHVIPUJL-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H]1CCOC1 ZINC001253246266 969120774 /nfs/dbraw/zinc/12/07/74/969120774.db2.gz LPLWEWKHVIPUJL-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@H](C)CO ZINC001253248809 969123331 /nfs/dbraw/zinc/12/33/31/969123331.db2.gz CERJPFDOERSNBX-KGLIPLIRSA-N 1 0 243.391 2.092 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@H]1CCO1 ZINC001253248922 969123835 /nfs/dbraw/zinc/12/38/35/969123835.db2.gz CTAVXQYLDPCGLS-ZIAGYGMSSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C[C@@H]1CCO1 ZINC001253248919 969124739 /nfs/dbraw/zinc/12/47/39/969124739.db2.gz CTAVXQYLDPCGLS-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](C)Cc1ccc2c(c1)OCO2 ZINC001208220460 969131897 /nfs/dbraw/zinc/13/18/97/969131897.db2.gz IYECHYRIEHXBHM-GFCCVEGCSA-N 1 0 245.322 2.159 20 30 BEEDRO O=C1C=C2C[N@@H+](CCC3CC3)CCC2S1 ZINC001208681486 969193422 /nfs/dbraw/zinc/19/34/22/969193422.db2.gz YHNNVQFRCUWMMM-NSHDSACASA-N 1 0 223.341 2.061 20 30 BEEDRO C=CCN1CC[NH+](CCC2CCCC2)CC1 ZINC001208695366 969197427 /nfs/dbraw/zinc/19/74/27/969197427.db2.gz OCPJLLRJYPRIGB-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO C[NH+]1CCC(=Nc2ncc(C#N)cc2Cl)CC1 ZINC001208719544 969203742 /nfs/dbraw/zinc/20/37/42/969203742.db2.gz SAAUHARUAPARDG-UHFFFAOYSA-N 1 0 248.717 2.238 20 30 BEEDRO C=CC[N@@H+](C)C1CCC(C)(C(=O)OC)CC1 ZINC001168786918 969215175 /nfs/dbraw/zinc/21/51/75/969215175.db2.gz BPCDPPCLJJBMBB-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCC[NH2+]CCCC[C@@H](C)NC(=O)CCC ZINC001168806009 969223430 /nfs/dbraw/zinc/22/34/30/969223430.db2.gz NMSYEZXMDNJCPC-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO CCCCC[C@H](O)C[NH2+]Cc1cc(C#N)co1 ZINC001253563594 969233121 /nfs/dbraw/zinc/23/31/21/969233121.db2.gz KVWDUPCJPCJAAJ-LBPRGKRZSA-N 1 0 236.315 2.182 20 30 BEEDRO Cc1coc(N=C2CC[NH+](C)CC2)c1C#N ZINC001208802599 969241041 /nfs/dbraw/zinc/24/10/41/969241041.db2.gz NWPPDPKGMYGDJS-UHFFFAOYSA-N 1 0 217.272 2.091 20 30 BEEDRO C=C[C@H](O)C[N@H+](C)CCc1ccc(Cl)cc1 ZINC001253578638 969251867 /nfs/dbraw/zinc/25/18/67/969251867.db2.gz FXOVZJXAYRSBIM-ZDUSSCGKSA-N 1 0 239.746 2.361 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001253578466 969253591 /nfs/dbraw/zinc/25/35/91/969253591.db2.gz BQFCNKZRUWKLPY-GJZGRUSLSA-N 1 0 231.339 2.098 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H](Cc2ccccc2)C1 ZINC001253582973 969260295 /nfs/dbraw/zinc/26/02/95/969260295.db2.gz WIZREGXYASJVEB-CVEARBPZSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1ccc(F)cc1 ZINC001253584209 969261790 /nfs/dbraw/zinc/26/17/90/969261790.db2.gz KLCHONVPHDULHQ-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC001253582296 969262830 /nfs/dbraw/zinc/26/28/30/969262830.db2.gz NCGVFWWARFEWKP-WDEREUQCSA-N 1 0 223.341 2.432 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCc2[nH]c3ccccc3c2C1 ZINC001253583218 969263273 /nfs/dbraw/zinc/26/32/73/969263273.db2.gz ZDKIJKSOYJRYLB-NSHDSACASA-N 1 0 242.322 2.073 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC001253582295 969264163 /nfs/dbraw/zinc/26/41/63/969264163.db2.gz NCGVFWWARFEWKP-QWRGUYRKSA-N 1 0 223.341 2.432 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccccc1OC ZINC001253586926 969272200 /nfs/dbraw/zinc/27/22/00/969272200.db2.gz VHLKWFOGKDTIKH-GXTWGEPZSA-N 1 0 249.354 2.105 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1 ZINC001253597240 969287330 /nfs/dbraw/zinc/28/73/30/969287330.db2.gz CBQLIOKTGNJSRE-DGCLKSJQSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H](O)CNC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001253598014 969289976 /nfs/dbraw/zinc/28/99/76/969289976.db2.gz LZQWSFHPAYKYNK-MFORYBBRSA-N 1 0 248.370 2.317 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001253598793 969291146 /nfs/dbraw/zinc/29/11/46/969291146.db2.gz YGFGWHVCEVEMJU-AAEUAGOBSA-N 1 0 205.301 2.193 20 30 BEEDRO C#CCN1CC[NH+](CC2(C)CCCCC2)CC1 ZINC001208902436 969291892 /nfs/dbraw/zinc/29/18/92/969291892.db2.gz IYIXZRQWECIRSY-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001253604110 969302660 /nfs/dbraw/zinc/30/26/60/969302660.db2.gz GBEJUJIMRHUWPD-TVQRCGJNSA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC001253606662 969304455 /nfs/dbraw/zinc/30/44/55/969304455.db2.gz MFEUEPKVLRPSOH-RISCZKNCSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccccc2F)CCC1 ZINC001253607282 969305656 /nfs/dbraw/zinc/30/56/56/969305656.db2.gz UFJFVRZSYDVFEZ-LLVKDONJSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(Cc2ccc(F)cc2)CCC1 ZINC001253607519 969306253 /nfs/dbraw/zinc/30/62/53/969306253.db2.gz YQJDLNGUMQIUEQ-CQSZACIVSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)Cc1ccccc1OC ZINC001253608351 969307044 /nfs/dbraw/zinc/30/70/44/969307044.db2.gz BCUKXQIVMMGCNE-CYBMUJFWSA-N 1 0 249.354 2.153 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168959664 969310447 /nfs/dbraw/zinc/31/04/47/969310447.db2.gz XTUCCSNWVKFYML-NWDGAFQWSA-N 1 0 238.331 2.213 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168959663 969310939 /nfs/dbraw/zinc/31/09/39/969310939.db2.gz XTUCCSNWVKFYML-NEPJUHHUSA-N 1 0 238.331 2.213 20 30 BEEDRO C=C[C@@H]([NH2+]C[C@@H](O)C=C)c1ccccc1 ZINC001253610143 969311114 /nfs/dbraw/zinc/31/11/14/969311114.db2.gz BAFATUUBNCCDRT-QWHCGFSZSA-N 1 0 203.285 2.050 20 30 BEEDRO C=C[C@H](O)C[NH2+]C[C@@H]1CCCc2ccccc21 ZINC001253610329 969311253 /nfs/dbraw/zinc/31/12/53/969311253.db2.gz DDNLHTBELLZOPB-KBPBESRZSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CC1 ZINC001253610472 969311954 /nfs/dbraw/zinc/31/19/54/969311954.db2.gz SUTHRFVZLKITKF-ZIAGYGMSSA-N 1 0 235.302 2.413 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001253611468 969312565 /nfs/dbraw/zinc/31/25/65/969312565.db2.gz PYSFPMKHPYLTFC-AVGNSLFASA-N 1 0 237.730 2.332 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(C#N)cc2C#N)CC1 ZINC001208979221 969312728 /nfs/dbraw/zinc/31/27/28/969312728.db2.gz IZUXSDPKHPOLFY-UHFFFAOYSA-N 1 0 238.294 2.061 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC[C@@H](C)CC ZINC001168962439 969313805 /nfs/dbraw/zinc/31/38/05/969313805.db2.gz OKPMTNFMFXAYCN-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCN(CC[N@H+](C)[C@@H](C)CC)C(=O)OCC ZINC001209018992 969319040 /nfs/dbraw/zinc/31/90/40/969319040.db2.gz IUUGRHLFNIAOQA-LBPRGKRZSA-N 1 0 242.363 2.361 20 30 BEEDRO C=C(C)c1ccc(-n2c(C)cnc2C[NH3+])nc1 ZINC001169027368 969344375 /nfs/dbraw/zinc/34/43/75/969344375.db2.gz CMYRAINXPSBIQT-UHFFFAOYSA-N 1 0 228.299 2.068 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037248 969355150 /nfs/dbraw/zinc/35/51/50/969355150.db2.gz RKOYUXHGXLYMLP-VXGBXAGGSA-N 1 0 224.304 2.106 20 30 BEEDRO C=CC[N@H+](C)CCCC(C)(C)OC(C)=O ZINC001209153464 969357482 /nfs/dbraw/zinc/35/74/82/969357482.db2.gz HVVHABFOFYHCLP-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](CC(=O)OC)C1 ZINC001209161782 969361743 /nfs/dbraw/zinc/36/17/43/969361743.db2.gz DNWWDNGLKAZYGG-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](CCC(=O)OC)C1 ZINC001209163052 969363801 /nfs/dbraw/zinc/36/38/01/969363801.db2.gz SJSWRTJIVLTGAC-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001209165726 969367787 /nfs/dbraw/zinc/36/77/87/969367787.db2.gz URNPXQFMXMSCMU-VXGBXAGGSA-N 1 0 207.317 2.254 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]CC)C1 ZINC001209183889 969376557 /nfs/dbraw/zinc/37/65/57/969376557.db2.gz QNELMRFYTMVWEX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO SC1CC[NH+](CCCc2ccncc2)CC1 ZINC001209189924 969378373 /nfs/dbraw/zinc/37/83/73/969378373.db2.gz AOFSVBLCTZRFFV-UHFFFAOYSA-N 1 0 236.384 2.408 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001209201791 969388669 /nfs/dbraw/zinc/38/86/69/969388669.db2.gz SPNVJWJTDZWPRU-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[NH+]1CC2(C1)CCCOC2 ZINC001209201924 969390984 /nfs/dbraw/zinc/39/09/84/969390984.db2.gz ZIRQJUWTCLGVHH-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCCCN1CC[NH+]2CCC1CC2 ZINC001209205567 969395015 /nfs/dbraw/zinc/39/50/15/969395015.db2.gz ZGIYZNRYYIXLKG-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H](Oc2ncccn2)C1 ZINC001209207992 969397242 /nfs/dbraw/zinc/39/72/42/969397242.db2.gz IZAZLCCEKMLXTN-ZDUSSCGKSA-N 1 0 247.342 2.286 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001253778636 969400404 /nfs/dbraw/zinc/40/04/04/969400404.db2.gz YOJGZRQXAQEQID-AWEZNQCLSA-N 1 0 246.354 2.400 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001209270260 969423929 /nfs/dbraw/zinc/42/39/29/969423929.db2.gz XOOIMCCUYVZCMM-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](NCC#CC(C)(C)C)C2 ZINC001169110168 969447511 /nfs/dbraw/zinc/44/75/11/969447511.db2.gz LDVFGZWCMODDLH-ZSOGYDGISA-N 1 0 234.387 2.251 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH+]1CCC[C@@H](CC#N)C1)C2 ZINC001169141338 969451883 /nfs/dbraw/zinc/45/18/83/969451883.db2.gz PVZWHTBCFDYPFZ-BYNSBNAKSA-N 1 0 247.386 2.237 20 30 BEEDRO CCC[N@H+](CCC#N)CCC(C)(C)OC ZINC001209407618 969472727 /nfs/dbraw/zinc/47/27/27/969472727.db2.gz MKQHPZMUQQVBNM-UHFFFAOYSA-N 1 0 212.337 2.427 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C1CCN(CC)CC1 ZINC001169219007 969487396 /nfs/dbraw/zinc/48/73/96/969487396.db2.gz PSNCWQXFLDWDGA-UHFFFAOYSA-N 1 0 222.376 2.252 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001209423587 969490481 /nfs/dbraw/zinc/49/04/81/969490481.db2.gz SWLBMDFHEXOPAD-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](CO)C[C@H](F)C1 ZINC001209423192 969491008 /nfs/dbraw/zinc/49/10/08/969491008.db2.gz JCVJTAFUTCSWJV-OLZOCXBDSA-N 1 0 229.339 2.385 20 30 BEEDRO C=CCCCCC[N@@H+](CC)C1CN(C)C1 ZINC001209432416 969503272 /nfs/dbraw/zinc/50/32/72/969503272.db2.gz DVWYMPUVOZZTJQ-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCc1cc(C)cnc1-n1ccc([C@@H](C)[NH3+])n1 ZINC001169230828 969504430 /nfs/dbraw/zinc/50/44/30/969504430.db2.gz WGNIMDCJODGNFZ-LLVKDONJSA-N 1 0 242.326 2.324 20 30 BEEDRO C[C@@H]([NH3+])c1ccn(-c2ccc(CS)cc2)n1 ZINC001169234040 969514580 /nfs/dbraw/zinc/51/45/80/969514580.db2.gz FCFZEISFMOJMTC-SECBINFHSA-N 1 0 233.340 2.322 20 30 BEEDRO C[C@@H]([NH3+])c1ccn(-c2cc(F)cc(CC#N)c2)n1 ZINC001169234366 969516239 /nfs/dbraw/zinc/51/62/39/969516239.db2.gz HXBIDIPXBKYETK-SECBINFHSA-N 1 0 244.273 2.097 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](CC)NC(=O)OC(C)(C)C ZINC001209459905 969517122 /nfs/dbraw/zinc/51/71/22/969517122.db2.gz BAKCMWDETSZSFI-LLVKDONJSA-N 1 0 242.363 2.408 20 30 BEEDRO CCC[C@@](C)(C#N)NC1CC[NH+](CC)CC1 ZINC001169241282 969530062 /nfs/dbraw/zinc/53/00/62/969530062.db2.gz SCDYRDJHNMXWCX-ZDUSSCGKSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)C ZINC001169247809 969534516 /nfs/dbraw/zinc/53/45/16/969534516.db2.gz MCSNZPOAPVFKHQ-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)[nH]1 ZINC001209565705 969547982 /nfs/dbraw/zinc/54/79/82/969547982.db2.gz ACOLUQILRUVUSK-UHFFFAOYSA-N 1 0 203.289 2.059 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@H+]([C@H]1CCCOC1)CC2 ZINC001254378459 969594602 /nfs/dbraw/zinc/59/46/02/969594602.db2.gz VMJAIFBKXQXTRU-HNNXBMFYSA-N 1 0 242.322 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)CC(C)C ZINC001169400793 969626915 /nfs/dbraw/zinc/62/69/15/969626915.db2.gz NKTCIIBILQBUNX-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH+](CC=C)[C@H](C)CC(=O)N(CC)CC ZINC001169478215 969644994 /nfs/dbraw/zinc/64/49/94/969644994.db2.gz OJTSSOVFZULCHW-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO Cc1coc(Nc2c[nH+]c(N)cc2C)c1C#N ZINC001209966075 969730289 /nfs/dbraw/zinc/73/02/89/969730289.db2.gz RMQUDKOLZWUNBM-UHFFFAOYSA-N 1 0 228.255 2.489 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1ccc(C#N)cc1O ZINC001209969448 969734296 /nfs/dbraw/zinc/73/42/96/969734296.db2.gz OVBFSXRGMDJNAG-UHFFFAOYSA-N 1 0 240.266 2.293 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254632323 969750747 /nfs/dbraw/zinc/75/07/47/969750747.db2.gz HMIRTVLQVYVINE-VXGBXAGGSA-N 1 0 204.317 2.460 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccc1O ZINC001254635849 969753653 /nfs/dbraw/zinc/75/36/53/969753653.db2.gz GBTQETDCDDGHLW-CMPLNLGQSA-N 1 0 246.310 2.183 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]COc2ccccc2)C1 ZINC001254647551 969760330 /nfs/dbraw/zinc/76/03/30/969760330.db2.gz UKTRIBVRIXWYBH-NWDGAFQWSA-N 1 0 216.284 2.305 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001254647517 969760742 /nfs/dbraw/zinc/76/07/42/969760742.db2.gz GZSKIJVPKDKRDD-VXGBXAGGSA-N 1 0 244.342 2.390 20 30 BEEDRO CC(C)Cn1cnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC001254646964 969761303 /nfs/dbraw/zinc/76/13/03/969761303.db2.gz DMKZNWHWGSDWFB-QWHCGFSZSA-N 1 0 246.358 2.321 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001254646595 969761327 /nfs/dbraw/zinc/76/13/27/969761327.db2.gz ZONQYAFIBIXEBV-LLVKDONJSA-N 1 0 238.356 2.228 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC001254646596 969761858 /nfs/dbraw/zinc/76/18/58/969761858.db2.gz ZONQYAFIBIXEBV-NSHDSACASA-N 1 0 238.356 2.228 20 30 BEEDRO N#C[C@H]1CC[C@@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001254650817 969763326 /nfs/dbraw/zinc/76/33/26/969763326.db2.gz XUCXVTXGVHENPS-CMPLNLGQSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001254650599 969764042 /nfs/dbraw/zinc/76/40/42/969764042.db2.gz WAGALAZTNNPXJJ-KFWWJZLASA-N 1 0 247.386 2.143 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3nccn3c2)C1 ZINC001254654385 969764892 /nfs/dbraw/zinc/76/48/92/969764892.db2.gz UNURFHJTDAHXJD-AAEUAGOBSA-N 1 0 240.310 2.116 20 30 BEEDRO COc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C[NH3+] ZINC001254656674 969765037 /nfs/dbraw/zinc/76/50/37/969765037.db2.gz LGTZUOZDOFBDJN-CMPLNLGQSA-N 1 0 245.326 2.258 20 30 BEEDRO COc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1C[NH3+] ZINC001254656681 969765913 /nfs/dbraw/zinc/76/59/13/969765913.db2.gz LGTZUOZDOFBDJN-JQWIXIFHSA-N 1 0 245.326 2.258 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CCCO[C@@H]3C2)C1 ZINC001254660447 969770256 /nfs/dbraw/zinc/77/02/56/969770256.db2.gz XZZFQJQWGLPAJS-ZOBORPQBSA-N 1 0 234.343 2.180 20 30 BEEDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001254663758 969773777 /nfs/dbraw/zinc/77/37/77/969773777.db2.gz DLVIFBYOKKKNGJ-AIEDFZFUSA-N 1 0 248.370 2.426 20 30 BEEDRO C[NH2+]Cc1c(C)nn([C@H]2CC[C@@H](C#N)C2)c1C ZINC001254667622 969774346 /nfs/dbraw/zinc/77/43/46/969774346.db2.gz BRHGLISIKAVFAT-NEPJUHHUSA-N 1 0 232.331 2.084 20 30 BEEDRO CO[C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001254663762 969775611 /nfs/dbraw/zinc/77/56/11/969775611.db2.gz DLVIFBYOKKKNGJ-VYDRJRHOSA-N 1 0 248.370 2.426 20 30 BEEDRO CCN(CC[NH+]1CCCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC001254670655 969777006 /nfs/dbraw/zinc/77/70/06/969777006.db2.gz KLBUBYZTTWEPML-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO N#C[C@@H]1CC[C@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001254671779 969777074 /nfs/dbraw/zinc/77/70/74/969777074.db2.gz UFBRAWYWQDZAQS-UPJWGTAASA-N 1 0 244.342 2.215 20 30 BEEDRO Cc1cc2c(cn1)C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC001254671891 969777445 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ZINC001169693152 969813239 /nfs/dbraw/zinc/81/32/39/969813239.db2.gz UCJUQAWTDHKQJY-LBPRGKRZSA-N 1 0 203.289 2.186 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(N(C)CC)ncn1 ZINC001169693602 969813483 /nfs/dbraw/zinc/81/34/83/969813483.db2.gz XBDNAZBMBMPSLN-CYBMUJFWSA-N 1 0 232.331 2.147 20 30 BEEDRO C#C[C@@](C)(CC)Nc1cc(N(C)CC)ncn1 ZINC001169693603 969814298 /nfs/dbraw/zinc/81/42/98/969814298.db2.gz XBDNAZBMBMPSLN-ZDUSSCGKSA-N 1 0 232.331 2.147 20 30 BEEDRO [NH3+]Cc1ccn(-c2ccccc2CS)c1 ZINC001169725784 969818280 /nfs/dbraw/zinc/81/82/80/969818280.db2.gz KYDPRQVPYDMOKT-UHFFFAOYSA-N 1 0 218.325 2.366 20 30 BEEDRO N#Cc1nccc2cc(-n3ccc(C[NH3+])c3)ccc12 ZINC001169726093 969819493 /nfs/dbraw/zinc/81/94/93/969819493.db2.gz QWURNROLNBHRRJ-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO N#CCc1cccc(-n2ccc(C[NH3+])c2)c1F ZINC001169726562 969819839 /nfs/dbraw/zinc/81/98/39/969819839.db2.gz YSXWBCXDWMJOJN-UHFFFAOYSA-N 1 0 229.258 2.141 20 30 BEEDRO CC(C)(S)C[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254933976 969828289 /nfs/dbraw/zinc/82/82/89/969828289.db2.gz HDLJXTZYHNGMGD-RKDXNWHRSA-N 1 0 227.373 2.042 20 30 BEEDRO C=CCCC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254938248 969828400 /nfs/dbraw/zinc/82/84/00/969828400.db2.gz YNGYLCYXIHGJPS-QWRGUYRKSA-N 1 0 207.317 2.300 20 30 BEEDRO C=CCCC(=O)N[C@H](C)CCCC[NH2+]CC ZINC001169707074 969829876 /nfs/dbraw/zinc/82/98/76/969829876.db2.gz XXTZIECWRZZTSP-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO N#CCC1CC[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254954894 969837005 /nfs/dbraw/zinc/83/70/05/969837005.db2.gz VPMXDJMHYSZHTA-WDNDVIMCSA-N 1 0 246.354 2.370 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254954616 969837046 /nfs/dbraw/zinc/83/70/46/969837046.db2.gz SDDSCRSDNYEQLL-ITGUQSILSA-N 1 0 234.343 2.370 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255027228 969853865 /nfs/dbraw/zinc/85/38/65/969853865.db2.gz MXBOCPPHIQAPEC-ZDUSSCGKSA-N 1 0 225.335 2.499 20 30 BEEDRO Cc1cc(Nc2ccccc2OCC#N)cc[nH+]1 ZINC001212595256 969864510 /nfs/dbraw/zinc/86/45/10/969864510.db2.gz KQJQYMCRRODICV-UHFFFAOYSA-N 1 0 239.278 2.458 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C1CC(C)C1 ZINC001156411631 969889877 /nfs/dbraw/zinc/88/98/77/969889877.db2.gz KYMFUJCDFXFRHF-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CCC)C2 ZINC001108865157 969902879 /nfs/dbraw/zinc/90/28/79/969902879.db2.gz DRQUKDJJWLGCOM-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO Cc1ccc(C#N)cc1Nc1c[nH+]cn1C ZINC001210495210 969906212 /nfs/dbraw/zinc/90/62/12/969906212.db2.gz KWIAOQIQZUNSDQ-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1ccc(F)cc1C#N ZINC001210552304 969935645 /nfs/dbraw/zinc/93/56/45/969935645.db2.gz XSEMTKQUTJOWJN-UHFFFAOYSA-N 1 0 230.246 2.483 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1cc(C)ccn1 ZINC001255154624 969950713 /nfs/dbraw/zinc/95/07/13/969950713.db2.gz JOEDWWQUCHXABY-LBPRGKRZSA-N 1 0 217.316 2.214 20 30 BEEDRO CC[C@H](CC#N)NCCC[NH+]1CCC(C)CC1 ZINC001255152638 969955457 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/nfs/dbraw/zinc/09/21/42/970092142.db2.gz AEXYDSZSQTVAOY-UHFFFAOYSA-N 1 0 233.359 2.292 20 30 BEEDRO CCCC[C@@H](C)NC1(C#N)CC[NH+](C)CC1 ZINC001255318749 970094225 /nfs/dbraw/zinc/09/42/25/970094225.db2.gz BJSAGZFWACXKBH-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO CCCC[C@H](C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001255321135 970099462 /nfs/dbraw/zinc/09/94/62/970099462.db2.gz YHQDVTBJPCDAFN-DCAQKATOSA-N 1 0 230.352 2.075 20 30 BEEDRO Cc1[nH+]cc(Nc2ccccc2OCC#N)n1C ZINC001212599107 970099380 /nfs/dbraw/zinc/09/93/80/970099380.db2.gz DPFKDHDLVPRQQA-UHFFFAOYSA-N 1 0 242.282 2.375 20 30 BEEDRO Cc1cc(N(C)C(C)(C)C[NH3+])ccc1CC#N ZINC001170059581 970111591 /nfs/dbraw/zinc/11/15/91/970111591.db2.gz MRULDLWDOMKIKZ-UHFFFAOYSA-N 1 0 231.343 2.235 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCC[C@H](C(=O)OCC)C1 ZINC001255373411 970120976 /nfs/dbraw/zinc/12/09/76/970120976.db2.gz PORWCHZOVWMSTQ-RYUDHWBXSA-N 1 0 225.332 2.226 20 30 BEEDRO CC#Cc1cncc(Nc2c(C)[nH+]cn2C)c1 ZINC001211056939 970133822 /nfs/dbraw/zinc/13/38/22/970133822.db2.gz ZMFQOZYWMXJBDP-UHFFFAOYSA-N 1 0 226.283 2.239 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)CCC=C)CC1 ZINC001112688280 970153720 /nfs/dbraw/zinc/15/37/20/970153720.db2.gz LOGUVLBEHTYZEE-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C[NH2+]Cc1cccc(Nc2ncccc2C#N)c1 ZINC001211134190 970159593 /nfs/dbraw/zinc/15/95/93/970159593.db2.gz CLMZVTUVLOBRRT-UHFFFAOYSA-N 1 0 238.294 2.416 20 30 BEEDRO COC1CCC([NH2+]CC(C)(C)S)CC1 ZINC001255450219 970183960 /nfs/dbraw/zinc/18/39/60/970183960.db2.gz MUDFPXQUYZYVLK-UHFFFAOYSA-N 1 0 217.378 2.242 20 30 BEEDRO C[N@@H+]1CCC[C@H](N[C@H](C#N)c2ccc(F)cc2)C1 ZINC001255470239 970197478 /nfs/dbraw/zinc/19/74/78/970197478.db2.gz MHJPMNNMHBKAFC-UONOGXRCSA-N 1 0 247.317 2.074 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(C)cc1C#N ZINC001211260322 970204407 /nfs/dbraw/zinc/20/44/07/970204407.db2.gz KPBGJNOZPUEZLD-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO COc1c[nH+]ccc1Nc1cc(F)cc(C#N)c1 ZINC001211260371 970205758 /nfs/dbraw/zinc/20/57/58/970205758.db2.gz LSYNVEBHUBVZKK-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO C#Cc1ccccc1Nc1cc[nH+]cc1OC ZINC001211263739 970212184 /nfs/dbraw/zinc/21/21/84/970212184.db2.gz HCAOKQNXRCDZNT-UHFFFAOYSA-N 1 0 224.263 2.237 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)nc2)CCO1 ZINC001255534420 970300095 /nfs/dbraw/zinc/30/00/95/970300095.db2.gz SFNSWPJQBCCHAD-LBPRGKRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C2CCC3(CC2)OCCO3)C1 ZINC001255627956 970406125 /nfs/dbraw/zinc/40/61/25/970406125.db2.gz JTUIBIMELMNQRI-ZDUSSCGKSA-N 1 0 249.354 2.017 20 30 BEEDRO C#CC1CC[NH+](C2CCC3(CC2)OCCO3)CC1 ZINC001255629558 970406939 /nfs/dbraw/zinc/40/69/39/970406939.db2.gz HFTIQCQXKJXCIL-UHFFFAOYSA-N 1 0 249.354 2.017 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC001255691229 970456525 /nfs/dbraw/zinc/45/65/25/970456525.db2.gz FJSJQEDBGABDDM-LPEHRKFASA-N 1 0 237.265 2.244 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]C(C)C)C1 ZINC001214745628 970535323 /nfs/dbraw/zinc/53/53/23/970535323.db2.gz MSSVOMTWBXWXNY-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCO[C@H](CC)C2)N=N1 ZINC001170205234 970569988 /nfs/dbraw/zinc/56/99/88/970569988.db2.gz WVTSBHQVYAIMKB-CHWSQXEVSA-N 1 0 249.358 2.499 20 30 BEEDRO COc1ccc(Nc2c(C)[nH+]cn2C)cc1C#N ZINC001214997152 970597184 /nfs/dbraw/zinc/59/71/84/970597184.db2.gz RZWJSKYJUWNQLG-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N1CCCC[C@H]1C#N ZINC001255962843 970604409 /nfs/dbraw/zinc/60/44/09/970604409.db2.gz AMHBZMQMUNHMQY-KBPBESRZSA-N 1 0 237.391 2.485 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCO[C@H](CC)C2)CC1 ZINC001170235428 970609828 /nfs/dbraw/zinc/60/98/28/970609828.db2.gz MCKXGMYBKBULTE-ZIAGYGMSSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC1CC[NH+]([C@H]2CCO[C@@H](CC)C2)CC1 ZINC001170235425 970610008 /nfs/dbraw/zinc/61/00/08/970610008.db2.gz MCKXGMYBKBULTE-KBPBESRZSA-N 1 0 221.344 2.289 20 30 BEEDRO CCCN(CCC#N)C1CC[NH+](C2CC2)CC1 ZINC001256076809 970649585 /nfs/dbraw/zinc/64/95/85/970649585.db2.gz JJHHKQIUTCYFBU-UHFFFAOYSA-N 1 0 235.375 2.239 20 30 BEEDRO C[NH+]1CC(CNc2cccc3[nH]c(C#N)cc32)C1 ZINC001170254466 970667179 /nfs/dbraw/zinc/66/71/79/970667179.db2.gz MBTULCBBWILMJM-UHFFFAOYSA-N 1 0 240.310 2.013 20 30 BEEDRO C=CC[N@@H+](C)CCN(C(=O)[C@@H](F)CC)C(C)C ZINC001278914554 970674495 /nfs/dbraw/zinc/67/44/95/970674495.db2.gz HXTJEJOLDXFJAB-LBPRGKRZSA-N 1 0 244.354 2.089 20 30 BEEDRO C=CCCCNc1ccc([C@H](C)[NH3+])nc1 ZINC001170301908 970688774 /nfs/dbraw/zinc/68/87/74/970688774.db2.gz JOTMUAMJTYPOTA-JTQLQIEISA-N 1 0 205.305 2.479 20 30 BEEDRO CN1CCC([NH2+]C23CCC(C#N)(CC2)CC3)CC1 ZINC001256197581 970692110 /nfs/dbraw/zinc/69/21/10/970692110.db2.gz LNHRAIZEYQLMKB-UHFFFAOYSA-N 1 0 247.386 2.287 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001329037072 1169949495 /nfs/dbraw/zinc/94/94/95/1169949495.db2.gz PLELNUSFEKCZBX-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000305241800 970718081 /nfs/dbraw/zinc/71/80/81/970718081.db2.gz RQUCBPOPTKWOJS-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](OCC=C)C2)cc1 ZINC001327381687 972562163 /nfs/dbraw/zinc/56/21/63/972562163.db2.gz HJKHXUXVTGLCPT-INIZCTEOSA-N 1 0 241.334 2.445 20 30 BEEDRO Cc1cc(C#N)cc(C)c1-c1cc(C[NH3+])ncn1 ZINC001222630713 972614139 /nfs/dbraw/zinc/61/41/39/972614139.db2.gz HONDNJPZNCKPLN-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO C#CC[N@@H+](Cc1ccc2c[nH]nc2c1)CC1CC1 ZINC001327538223 972624382 /nfs/dbraw/zinc/62/43/82/972624382.db2.gz OORMXUSIJQVNRF-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C2(CC2)C1 ZINC001144166829 972657597 /nfs/dbraw/zinc/65/75/97/972657597.db2.gz YFWNRJYCAWKRDR-LLVKDONJSA-N 1 0 227.311 2.328 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cn1 ZINC001144264859 972722697 /nfs/dbraw/zinc/72/26/97/972722697.db2.gz FGSIEWLUNQRHAN-UOJUARBOSA-N 1 0 243.310 2.054 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCCO1 ZINC001171175104 972802050 /nfs/dbraw/zinc/80/20/50/972802050.db2.gz HKKIOEZNEHNZCS-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCO[C@@H]1C ZINC001171175859 972802502 /nfs/dbraw/zinc/80/25/02/972802502.db2.gz NYPWNUGYNIPZEV-YWPYICTPSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)n1nccc1C[NH3+] ZINC001171177019 972805903 /nfs/dbraw/zinc/80/59/03/972805903.db2.gz ZVDACIDCMBGAKD-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO CC(C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171176902 972807041 /nfs/dbraw/zinc/80/70/41/972807041.db2.gz XFWWLYYVLFYBBZ-NSHDSACASA-N 1 0 202.301 2.487 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCS ZINC001171179385 972813716 /nfs/dbraw/zinc/81/37/16/972813716.db2.gz RVVMCTKNXOGTCE-JTQLQIEISA-N 1 0 220.341 2.009 20 30 BEEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)nc1 ZINC001144430283 972815172 /nfs/dbraw/zinc/81/51/72/972815172.db2.gz BMSJPTQNAMUOPO-GFCCVEGCSA-N 1 0 245.326 2.216 20 30 BEEDRO CC[N@@H+]1CCC[C@H](CNc2cc(C#N)ccn2)C1 ZINC001327966837 972835427 /nfs/dbraw/zinc/83/54/27/972835427.db2.gz CEYSVSKYQWEAMQ-CYBMUJFWSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1C(C)C ZINC001276862347 972836611 /nfs/dbraw/zinc/83/66/11/972836611.db2.gz TVPLKPJZDXYJHB-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171190929 972837644 /nfs/dbraw/zinc/83/76/44/972837644.db2.gz ZGOIDJAQEGOSBH-RYUDHWBXSA-N 1 0 212.296 2.101 20 30 BEEDRO CC(C)([NH3+])CNc1ccc(OCCC#N)cc1 ZINC001171192595 972840443 /nfs/dbraw/zinc/84/04/43/972840443.db2.gz GVCRBAZFSRVWFM-UHFFFAOYSA-N 1 0 233.315 2.128 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171190067 972840875 /nfs/dbraw/zinc/84/08/75/972840875.db2.gz PIRRWTLCNAJNHJ-GFCCVEGCSA-N 1 0 212.296 2.102 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCCS ZINC001171193381 972843945 /nfs/dbraw/zinc/84/39/45/972843945.db2.gz XCIXYEYTBQNWLD-LLVKDONJSA-N 1 0 234.368 2.399 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1 ZINC001144488803 972844150 /nfs/dbraw/zinc/84/41/50/972844150.db2.gz UPEBJUPZKIZLAN-UHFFFAOYSA-N 1 0 223.703 2.414 20 30 BEEDRO Cc1cc(NCC(C)(C)[NH3+])ccc1CC#N ZINC001171192324 972844315 /nfs/dbraw/zinc/84/43/15/972844315.db2.gz BSJSQOCLGOBYCU-UHFFFAOYSA-N 1 0 217.316 2.210 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC001328090907 972869577 /nfs/dbraw/zinc/86/95/77/972869577.db2.gz KCSOWXDCMJCFMC-VXGBXAGGSA-N 1 0 233.311 2.170 20 30 BEEDRO C#Cc1ccc(CN(CC)CC[NH+](C)C)cc1 ZINC001144567596 972873581 /nfs/dbraw/zinc/87/35/81/972873581.db2.gz SQVGUXDAACPROL-UHFFFAOYSA-N 1 0 230.355 2.051 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)cc1 ZINC001144568363 972875701 /nfs/dbraw/zinc/87/57/01/972875701.db2.gz RXMPXCLCMUAVHA-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCC[C@@](C)(O)C2)cc1 ZINC001144567844 972875715 /nfs/dbraw/zinc/87/57/15/972875715.db2.gz DFKVSSHPBQPNSJ-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(CN2CCC[N@@H+](CC)CC2)cc1 ZINC001144567487 972875727 /nfs/dbraw/zinc/87/57/27/972875727.db2.gz NLFFGTCIGRIBGN-UHFFFAOYSA-N 1 0 242.366 2.196 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCCO)C(C)C)cc1 ZINC001144574017 972877235 /nfs/dbraw/zinc/87/72/35/972877235.db2.gz YMPQDLATBMDQFT-UHFFFAOYSA-N 1 0 231.339 2.261 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ncn3ccccc23)C1 ZINC001144624870 972889941 /nfs/dbraw/zinc/88/99/41/972889941.db2.gz UQHYLXKCQIBHNA-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO SC1CC[NH+](Cc2ncn3ccccc23)CC1 ZINC001144624574 972891192 /nfs/dbraw/zinc/89/11/92/972891192.db2.gz LCIOSZBJNWQBTP-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO COCC[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171204247 972924766 /nfs/dbraw/zinc/92/47/66/972924766.db2.gz UZPAMCRFBYPAMI-LBPRGKRZSA-N 1 0 232.327 2.067 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@@H](C)C1 ZINC001171210350 972948728 /nfs/dbraw/zinc/94/87/28/972948728.db2.gz SRWWQVLHUYZXLK-OLZOCXBDSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[N@H+](C)CCF ZINC001171233948 973026556 /nfs/dbraw/zinc/02/65/56/973026556.db2.gz JELXBGRLCQQRLZ-LLVKDONJSA-N 1 0 220.291 2.391 20 30 BEEDRO C[C@@H]1C[C@@H](N(C)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC001246771324 973087332 /nfs/dbraw/zinc/08/73/32/973087332.db2.gz YNYBPTTXKGCVSC-DOMZBBRYSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCCN1C(=O)/C(C)=C\C ZINC001328608402 973191336 /nfs/dbraw/zinc/19/13/36/973191336.db2.gz JJCJNAQYCBXOIZ-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccnn2CCC)C1 ZINC001328743673 973329157 /nfs/dbraw/zinc/32/91/57/973329157.db2.gz OCZCILWILWIYPR-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cccc(C#N)n1 ZINC001328831314 973360718 /nfs/dbraw/zinc/36/07/18/973360718.db2.gz XQQGDYGFKCZDQT-QWHCGFSZSA-N 1 0 244.342 2.238 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC1CC(C[NH2+]CC)C1 ZINC001328912474 973389967 /nfs/dbraw/zinc/38/99/67/973389967.db2.gz QVJWORGYEJEAKQ-ORHYLEIMSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(C)(C)CC(C)C ZINC001147075200 973418886 /nfs/dbraw/zinc/41/88/86/973418886.db2.gz GASUQGZBJLQSKL-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CC(=C)C)C2 ZINC001147166015 973448410 /nfs/dbraw/zinc/44/84/10/973448410.db2.gz PXRNJZHKBZTZGC-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCCCC ZINC001329187635 973553050 /nfs/dbraw/zinc/55/30/50/973553050.db2.gz XORCLQSVEMHKOO-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC ZINC001224355924 973594500 /nfs/dbraw/zinc/59/45/00/973594500.db2.gz ZTMCDRKCUYIKBV-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCCCOCC[N@H+]1CC[C@@H](OC)C1 ZINC001224428291 973634202 /nfs/dbraw/zinc/63/42/02/973634202.db2.gz UNIMWDDUFWLUSC-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC001329376154 973712085 /nfs/dbraw/zinc/71/20/85/973712085.db2.gz RVXOJBNHAKLHKX-WFASDCNBSA-N 1 0 247.338 2.473 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@@H+](C)C[C@@H](C)CC ZINC001329397557 973736784 /nfs/dbraw/zinc/73/67/84/973736784.db2.gz PICQFJBPICXPFZ-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO COCCCCC[NH2+]CC#Cc1ccccc1 ZINC000234764631 973755591 /nfs/dbraw/zinc/75/55/91/973755591.db2.gz PDSXWWMTVLOUBW-UHFFFAOYSA-N 1 0 231.339 2.444 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000234837577 973774871 /nfs/dbraw/zinc/77/48/71/973774871.db2.gz QPQAOTAQPMZNJC-RKDXNWHRSA-N 1 0 248.164 2.298 20 30 BEEDRO CCCCCO[C@H](CC#N)C[N+](C)(C)C ZINC001224660678 973832757 /nfs/dbraw/zinc/83/27/57/973832757.db2.gz MBJRMIXRSYAAKL-GFCCVEGCSA-N 1 0 213.345 2.182 20 30 BEEDRO C#C[C@@H](OC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001224707764 973878459 /nfs/dbraw/zinc/87/84/59/973878459.db2.gz SPLOZBVPGWAIQN-QWHCGFSZSA-N 1 0 209.333 2.145 20 30 BEEDRO CCC#C[C@@H](C)OC[C@H]1CCCC[N@@H+]1C ZINC001224708331 973878701 /nfs/dbraw/zinc/87/87/01/973878701.db2.gz XKUCRQMIEYOCIT-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CCN(C)C(C)=O)C(C)C ZINC001329720114 973897960 /nfs/dbraw/zinc/89/79/60/973897960.db2.gz IFUSBQYFMMJPBH-ZDUSSCGKSA-N 1 0 226.364 2.045 20 30 BEEDRO CCC#C[C@@H](C)OCCC[NH+]1CCCC1 ZINC001224743783 973905208 /nfs/dbraw/zinc/90/52/08/973905208.db2.gz FUVVFZNVDQHOPO-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171347806 973936413 /nfs/dbraw/zinc/93/64/13/973936413.db2.gz AJTALWBECXBYPD-JOYOIKCWSA-N 1 0 235.277 2.433 20 30 BEEDRO C[C@H](OCC[N+](C)(C)C)c1ccccc1C#N ZINC001224775992 973944484 /nfs/dbraw/zinc/94/44/84/973944484.db2.gz QXNGVUYNUKVFSU-LBPRGKRZSA-N 1 0 233.335 2.342 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001329862611 973947452 /nfs/dbraw/zinc/94/74/52/973947452.db2.gz LRNQJQCPOMFQHA-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001329862609 973949625 /nfs/dbraw/zinc/94/96/25/973949625.db2.gz LRNQJQCPOMFQHA-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382009 973984551 /nfs/dbraw/zinc/98/45/51/973984551.db2.gz XBBOLKCHTWMGEB-LBPRGKRZSA-N 1 0 235.277 2.387 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171382008 973988922 /nfs/dbraw/zinc/98/89/22/973988922.db2.gz XBBOLKCHTWMGEB-GFCCVEGCSA-N 1 0 235.277 2.387 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)CC ZINC001224861531 974032934 /nfs/dbraw/zinc/03/29/34/974032934.db2.gz VJEJYAGTWLGYAH-YNEHKIRRSA-N 1 0 238.375 2.236 20 30 BEEDRO [NH3+]Cc1nccnc1Nc1ccc(CS)cc1 ZINC001171450278 974073164 /nfs/dbraw/zinc/07/31/64/974073164.db2.gz XZOOUUJKQQCDEW-UHFFFAOYSA-N 1 0 246.339 2.109 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)CC1(C)C ZINC001330060684 974091137 /nfs/dbraw/zinc/09/11/37/974091137.db2.gz PBUAQEVOXUGYRZ-TXEJJXNPSA-N 1 0 234.343 2.138 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171557798 974101678 /nfs/dbraw/zinc/10/16/78/974101678.db2.gz WSHCVKZXHNJQBV-TZMCWYRMSA-N 1 0 213.324 2.464 20 30 BEEDRO C[NH+]1C(C)(C)CC(N2CC(CC#N)C2)CC1(C)C ZINC001171629477 974108292 /nfs/dbraw/zinc/10/82/92/974108292.db2.gz SKYIUVRDBSAHNZ-UHFFFAOYSA-N 1 0 249.402 2.483 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)c1ccccc1 ZINC001171651538 974120609 /nfs/dbraw/zinc/12/06/09/974120609.db2.gz MABCMXFRWFNJPP-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO C[C@H]1C[C@H](N(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC001171761905 974148752 /nfs/dbraw/zinc/14/87/52/974148752.db2.gz GXXCJFUCGDHJDF-ZFWWWQNUSA-N 1 0 243.354 2.105 20 30 BEEDRO N#CCC1C[NH+]([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171793933 974188785 /nfs/dbraw/zinc/18/87/85/974188785.db2.gz NXGCFYGRDBUJHD-LBPRGKRZSA-N 1 0 230.286 2.138 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cc2OC)C1 ZINC001225193256 974210571 /nfs/dbraw/zinc/21/05/71/974210571.db2.gz IOTJRNUZIORELW-LBPRGKRZSA-N 1 0 246.310 2.040 20 30 BEEDRO C[N+](C)(C)C[C@@H](CC#N)Oc1ccccc1F ZINC001225201005 974221227 /nfs/dbraw/zinc/22/12/27/974221227.db2.gz YTKOSZLCRALVDF-LLVKDONJSA-N 1 0 237.298 2.193 20 30 BEEDRO Cc1ccccc1O[C@H](CC#N)C[N+](C)(C)C ZINC001225218968 974250744 /nfs/dbraw/zinc/25/07/44/974250744.db2.gz IOJVXIGPBPWWOR-CYBMUJFWSA-N 1 0 233.335 2.362 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C2CC2)C(=O)C1 ZINC001172027192 974288048 /nfs/dbraw/zinc/28/80/48/974288048.db2.gz VMZBVZYWJNNMOA-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCN(C2CC2)C(=O)C1 ZINC001172027191 974289355 /nfs/dbraw/zinc/28/93/55/974289355.db2.gz VMZBVZYWJNNMOA-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC001330558408 974314532 /nfs/dbraw/zinc/31/45/32/974314532.db2.gz GQKQWBQIPJJISF-UONOGXRCSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC=C ZINC001225275526 974338520 /nfs/dbraw/zinc/33/85/20/974338520.db2.gz MUWIXQZEEOFTCK-CHWSQXEVSA-N 1 0 236.359 2.156 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@H](C#N)C1)C2 ZINC001172124635 974349892 /nfs/dbraw/zinc/34/98/92/974349892.db2.gz MGYKTOXLFRYXFY-KBXIAJHMSA-N 1 0 247.386 2.237 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC001330620286 974366750 /nfs/dbraw/zinc/36/67/50/974366750.db2.gz BOGYLLLLWUVLBX-LSDHHAIUSA-N 1 0 249.354 2.035 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C=C)COC ZINC001330641753 974383152 /nfs/dbraw/zinc/38/31/52/974383152.db2.gz ZKNKBVGVWVAZTR-CYBMUJFWSA-N 1 0 209.333 2.361 20 30 BEEDRO C=CCC[NH2+]CCC[C@@H](C)NC(=O)C(C)C ZINC001330749849 974449869 /nfs/dbraw/zinc/44/98/69/974449869.db2.gz SBCQVEDWJSQLPR-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172220203 974451344 /nfs/dbraw/zinc/45/13/44/974451344.db2.gz GBULNRSAABVYNQ-WVMKXHBISA-N 1 0 207.317 2.088 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)c1 ZINC001172229471 974466791 /nfs/dbraw/zinc/46/67/91/974466791.db2.gz NCBRAZCILDQADW-GOOCMWNKSA-N 1 0 240.306 2.134 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@H](C#N)CC2)CO1 ZINC001172272240 974489966 /nfs/dbraw/zinc/48/99/66/974489966.db2.gz WRLUOHPBPJPBIU-SRVKXCTJSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)CCC[NH2+]CC ZINC001330828586 974490187 /nfs/dbraw/zinc/49/01/87/974490187.db2.gz XANNLEFNCFQVQS-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CO1 ZINC001172272243 974490486 /nfs/dbraw/zinc/49/04/86/974490486.db2.gz WRLUOHPBPJPBIU-TUAOUCFPSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(C)C#CC[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172235784 974497045 /nfs/dbraw/zinc/49/70/45/974497045.db2.gz FLAZITIEVJDMJH-YHWZYXNKSA-N 1 0 219.328 2.112 20 30 BEEDRO C#CCCC1(CC[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)N=N1 ZINC001172238909 974500726 /nfs/dbraw/zinc/50/07/26/974500726.db2.gz XEYBGFLYEAQUEU-YHWZYXNKSA-N 1 0 245.326 2.028 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCCC2(CC2)C1 ZINC001330842824 974501414 /nfs/dbraw/zinc/50/14/14/974501414.db2.gz YKPCOTKPDLXDJF-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](C2C[C@@H]3C=C[C@H](C2)O3)C1 ZINC001172242593 974507306 /nfs/dbraw/zinc/50/73/06/974507306.db2.gz YPDPKSJJPJGPNA-RLAWYHOSSA-N 1 0 232.327 2.098 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]C1CC(C#N)C1 ZINC001172305339 974515909 /nfs/dbraw/zinc/51/59/09/974515909.db2.gz RPDFGPXBPAUPGN-QGLTVNCISA-N 1 0 239.322 2.381 20 30 BEEDRO CCC[C@H](CO)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172302755 974517037 /nfs/dbraw/zinc/51/70/37/974517037.db2.gz QHBJZURMWSCOKJ-SWLSCSKDSA-N 1 0 246.354 2.240 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CSC1 ZINC001172302890 974517725 /nfs/dbraw/zinc/51/77/25/974517725.db2.gz RWHFVOQKNAFVSP-LLVKDONJSA-N 1 0 246.379 2.442 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(CC#N)C1 ZINC001172309207 974519667 /nfs/dbraw/zinc/51/96/67/974519667.db2.gz SAQBAQRRMPQHEN-GFCCVEGCSA-N 1 0 239.322 2.335 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172317169 974523677 /nfs/dbraw/zinc/52/36/77/974523677.db2.gz PXXOVWBTGSFZAW-WFASDCNBSA-N 1 0 244.338 2.210 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1[C@H](C)Cc1ccc(C#N)cc1 ZINC001172317163 974523701 /nfs/dbraw/zinc/52/37/01/974523701.db2.gz PXXOVWBTGSFZAW-DOMZBBRYSA-N 1 0 244.338 2.210 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2COC(C)(C)C2)N=N1 ZINC001172279888 974538180 /nfs/dbraw/zinc/53/81/80/974538180.db2.gz LZMMWQXKSRLUIF-LLVKDONJSA-N 1 0 235.331 2.109 20 30 BEEDRO Cc1cc(C#N)c(O[C@H](C)C[N+](C)(C)C)nc1C ZINC001225530990 974541862 /nfs/dbraw/zinc/54/18/62/974541862.db2.gz NDARCSJYLCDRFE-LLVKDONJSA-N 1 0 248.350 2.044 20 30 BEEDRO CCC#C[C@@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546935 974548131 /nfs/dbraw/zinc/54/81/31/974548131.db2.gz PHXKTOHWPVLJOC-LLVKDONJSA-N 1 0 246.310 2.366 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)/C=C/C1CC1 ZINC001225560567 974555858 /nfs/dbraw/zinc/55/58/58/974555858.db2.gz QXWAKTOUFZUDQS-NPUYYSGSSA-N 1 0 248.370 2.156 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)C(C)(C)CN ZINC001172293155 974559633 /nfs/dbraw/zinc/55/96/33/974559633.db2.gz BRSZQLXNHRLTHJ-LBPRGKRZSA-N 1 0 245.370 2.158 20 30 BEEDRO CCC1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)COC1 ZINC001172296537 974564877 /nfs/dbraw/zinc/56/48/77/974564877.db2.gz AOBDSGMWWYFIQM-LBPRGKRZSA-N 1 0 244.338 2.258 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC001172376405 974574641 /nfs/dbraw/zinc/57/46/41/974574641.db2.gz BKYIOIDOJJPMNW-HZSPNIEDSA-N 1 0 203.329 2.380 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H](F)C2)n1 ZINC001331083819 974591800 /nfs/dbraw/zinc/59/18/00/974591800.db2.gz RUFFWLWCSKCDCN-MNOVXSKESA-N 1 0 233.290 2.324 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)n1 ZINC001331083816 974594579 /nfs/dbraw/zinc/59/45/79/974594579.db2.gz RUFFWLWCSKCDCN-GHMZBOCLSA-N 1 0 233.290 2.324 20 30 BEEDRO CC[C@H](C)OCC[C@@H](C)[NH2+][C@@H](C)CC#N ZINC001172340459 974607641 /nfs/dbraw/zinc/60/76/41/974607641.db2.gz WSWVMGMZXXWGNM-TUAOUCFPSA-N 1 0 212.337 2.472 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)CCO[C@H](C)CC ZINC001172346497 974615050 /nfs/dbraw/zinc/61/50/50/974615050.db2.gz JGGKPKUOMQEOIY-ZIAGYGMSSA-N 1 0 221.344 2.149 20 30 BEEDRO C[N@H+](CC[C@@H]1CCOC1)[C@H]1CCC[C@H]1C#N ZINC001331143370 974618769 /nfs/dbraw/zinc/61/87/69/974618769.db2.gz MLCRJMSODGTPRY-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCC(NC(=O)CC)CC1 ZINC001225712674 974654245 /nfs/dbraw/zinc/65/42/45/974654245.db2.gz YRTIXQQUTHLHFW-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]CC(C)(C)S ZINC001172415277 974683475 /nfs/dbraw/zinc/68/34/75/974683475.db2.gz UXWWBJYFAKDMEO-SECBINFHSA-N 1 0 205.367 2.100 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C=C(C)C ZINC001331376494 974701259 /nfs/dbraw/zinc/70/12/59/974701259.db2.gz LREDYQYVUYGQAR-NSHDSACASA-N 1 0 244.766 2.142 20 30 BEEDRO Cc1ccc(C#N)c(O[C@@H]2CCC[N@@H+](C)CC2)n1 ZINC001225859901 974703073 /nfs/dbraw/zinc/70/30/73/974703073.db2.gz FHDJXJICGDVEOO-CYBMUJFWSA-N 1 0 245.326 2.125 20 30 BEEDRO COc1cccc(CC#N)c1O[C@H](C)C[NH+](C)C ZINC001225842611 974703119 /nfs/dbraw/zinc/70/31/19/974703119.db2.gz IJCGIKXFVFJJCB-LLVKDONJSA-N 1 0 248.326 2.090 20 30 BEEDRO Cc1ccc(C#N)c(O[C@H]2CCC[N@@H+](C)CC2)n1 ZINC001225859909 974704502 /nfs/dbraw/zinc/70/45/02/974704502.db2.gz FHDJXJICGDVEOO-ZDUSSCGKSA-N 1 0 245.326 2.125 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001172429100 974706564 /nfs/dbraw/zinc/70/65/64/974706564.db2.gz SKMANKCQIMOFKC-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)CC ZINC001331428432 974717535 /nfs/dbraw/zinc/71/75/35/974717535.db2.gz XKEDZMROIKTQIK-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO CCOCC[C@@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC001172433571 974719858 /nfs/dbraw/zinc/71/98/58/974719858.db2.gz RBSIMVPAJJBZHG-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCCC(C)C ZINC001331586325 974771173 /nfs/dbraw/zinc/77/11/73/974771173.db2.gz YHMWJTHCNYHKPO-QWHCGFSZSA-N 1 0 211.349 2.175 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](CO)Cc1ccccc1 ZINC001172479079 974777295 /nfs/dbraw/zinc/77/72/95/974777295.db2.gz GUEMSGNCQHRVHC-UKRRQHHQSA-N 1 0 246.354 2.262 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCCCN1C ZINC001172480253 974780330 /nfs/dbraw/zinc/78/03/30/974780330.db2.gz NDJLKODMZDETQW-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCCOC1 ZINC001172481686 974782615 /nfs/dbraw/zinc/78/26/15/974782615.db2.gz WTFXMKNKESHKJT-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H](O)c1ccc(O)cc1 ZINC001172482958 974784431 /nfs/dbraw/zinc/78/44/31/974784431.db2.gz LXVZAKRSKHZRJU-FZMZJTMJSA-N 1 0 248.326 2.098 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC001172482956 974784555 /nfs/dbraw/zinc/78/45/55/974784555.db2.gz LXVZAKRSKHZRJU-BXUZGUMPSA-N 1 0 248.326 2.098 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CC(C)(C)O1 ZINC001172483989 974787074 /nfs/dbraw/zinc/78/70/74/974787074.db2.gz WTKCGZLYHDFILD-MNOVXSKESA-N 1 0 210.321 2.226 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@@H](C)CCCC#N ZINC001172485665 974787854 /nfs/dbraw/zinc/78/78/54/974787854.db2.gz SCXNAWRPHVOJKE-RYUDHWBXSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC001172485369 974788331 /nfs/dbraw/zinc/78/83/31/974788331.db2.gz PADCDQCODBOCOT-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC001172485366 974788946 /nfs/dbraw/zinc/78/89/46/974788946.db2.gz PADCDQCODBOCOT-AGIUHOORSA-N 1 0 224.348 2.209 20 30 BEEDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172485357 974789635 /nfs/dbraw/zinc/78/96/35/974789635.db2.gz OUHCFWNZBXYUOV-UTUOFQBUSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1NC(=O)c2ccccc21 ZINC001172485102 974789755 /nfs/dbraw/zinc/78/97/55/974789755.db2.gz LWJWHKXETCZIHR-ZWNOBZJWSA-N 1 0 243.310 2.101 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)CCCC)CC1 ZINC001226104009 974791007 /nfs/dbraw/zinc/79/10/07/974791007.db2.gz WKPYHRRYWCVYMO-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]Cc1ccc(C#N)nc1 ZINC001172436708 974793684 /nfs/dbraw/zinc/79/36/84/974793684.db2.gz HJERBTNGQUFKMP-LBPRGKRZSA-N 1 0 247.342 2.246 20 30 BEEDRO C#CC[N@@H+](C[C@H](CCC)OC)CC1CC1 ZINC001331707632 974799233 /nfs/dbraw/zinc/79/92/33/974799233.db2.gz NDPKDXCFPFRPPH-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172448917 974813814 /nfs/dbraw/zinc/81/38/14/974813814.db2.gz QEYMAKHHWYYLTF-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1nnc2ccccn21 ZINC001331769959 974815526 /nfs/dbraw/zinc/81/55/26/974815526.db2.gz HLQFSNGQWPPTME-GHMZBOCLSA-N 1 0 230.315 2.345 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CCOCC(C)C ZINC001172452943 974816939 /nfs/dbraw/zinc/81/69/39/974816939.db2.gz ABJDQQJOXOTAIC-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO CC(C)CNN=C1CC[N@H+](C)C(C)(C)C1 ZINC001331820239 974827461 /nfs/dbraw/zinc/82/74/61/974827461.db2.gz GQEJSEXAAHEVES-UHFFFAOYSA-N 1 0 211.353 2.092 20 30 BEEDRO C[C@@H]([NH3+])c1ccn([C@H](C)CCCC#N)n1 ZINC001172487252 974827506 /nfs/dbraw/zinc/82/75/06/974827506.db2.gz GPUYMZSIAJAJNB-NXEZZACHSA-N 1 0 206.293 2.158 20 30 BEEDRO COc1ccc(CC[NH2+][C@H](C)CCCC#N)cn1 ZINC001172488874 974833352 /nfs/dbraw/zinc/83/33/52/974833352.db2.gz NEQVYMZYYMJKKF-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001172493495 974838622 /nfs/dbraw/zinc/83/86/22/974838622.db2.gz MKMCQWRADJYGNB-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](CCCC#N)n1c(C[NH3+])nc2cnccc21 ZINC001172491787 974840380 /nfs/dbraw/zinc/84/03/80/974840380.db2.gz JJJDYOBCEOJTFH-SNVBAGLBSA-N 1 0 243.314 2.145 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@]1(C)CCCN(C)C1 ZINC001172493905 974841363 /nfs/dbraw/zinc/84/13/63/974841363.db2.gz WNZGOOKCEGUEPP-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001172493642 974841660 /nfs/dbraw/zinc/84/16/60/974841660.db2.gz NGKGIDZLCOFLAD-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@]1(C)CCCN(C)C1 ZINC001172493912 974842155 /nfs/dbraw/zinc/84/21/55/974842155.db2.gz WNZGOOKCEGUEPP-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@](C)(O)CC1 ZINC001172493629 974843100 /nfs/dbraw/zinc/84/31/00/974843100.db2.gz NENVKJNQPMRRJN-OLZOCXBDSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001172494842 974844375 /nfs/dbraw/zinc/84/43/75/974844375.db2.gz YKRSYGDBKJCOMV-MNOVXSKESA-N 1 0 226.295 2.072 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC(=O)[C@H](C)C1 ZINC001172494408 974844893 /nfs/dbraw/zinc/84/48/93/974844893.db2.gz UDYDDLXAWRZMLT-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO CC[N@H+](CCCC(=O)OC)[C@@H](C)CCCC#N ZINC001172494745 974845763 /nfs/dbraw/zinc/84/57/63/974845763.db2.gz XQEJVSICPNCUDC-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO COC(=O)[C@@]1(C)CCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172496044 974846203 /nfs/dbraw/zinc/84/62/03/974846203.db2.gz JMGNYXWIAWKOBY-WCQYABFASA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC(=O)CC1 ZINC001172497107 974847186 /nfs/dbraw/zinc/84/71/86/974847186.db2.gz YBMJRMSKNQKNME-LLVKDONJSA-N 1 0 208.305 2.124 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172499258 974851587 /nfs/dbraw/zinc/85/15/87/974851587.db2.gz CJNGQTBVYRSXMM-STQMWFEESA-N 1 0 204.317 2.414 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001172498354 974847577 /nfs/dbraw/zinc/84/75/77/974847577.db2.gz LXLZXGZQAFSVNZ-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001172496626 974848519 /nfs/dbraw/zinc/84/85/19/974848519.db2.gz OTHSIUDOHNUYHA-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCOC[C@@H]1C1CC1 ZINC001172498352 974848815 /nfs/dbraw/zinc/84/88/15/974848815.db2.gz LXLZXGZQAFSVNZ-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC(=O)CC1 ZINC001172497108 974849241 /nfs/dbraw/zinc/84/92/41/974849241.db2.gz YBMJRMSKNQKNME-NSHDSACASA-N 1 0 208.305 2.124 20 30 BEEDRO CCO[C@@H]1CC[N@@H+]([C@H](C)CCCC#N)C1 ZINC001172498739 974851543 /nfs/dbraw/zinc/85/15/43/974851543.db2.gz QSZLFABMWXEVPB-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001172500313 974854625 /nfs/dbraw/zinc/85/46/25/974854625.db2.gz LOJUTMQOHNMCJJ-HZSPNIEDSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CCC2(CCO2)CC1 ZINC001172502790 974856197 /nfs/dbraw/zinc/85/61/97/974856197.db2.gz WVTZQPPDGMERKD-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172509010 974862215 /nfs/dbraw/zinc/86/22/15/974862215.db2.gz JBCBAPDCJDJMFZ-RYUDHWBXSA-N 1 0 205.305 2.304 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC001172507456 974862310 /nfs/dbraw/zinc/86/23/10/974862310.db2.gz UXXFHONQHATCQA-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)CC(C)(C)C ZINC001277120739 974864785 /nfs/dbraw/zinc/86/47/85/974864785.db2.gz ALEBBHHYEDXVJN-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO N#CC1CC(Oc2cc(N)[nH+]c3ccccc32)C1 ZINC001226421921 974891416 /nfs/dbraw/zinc/89/14/16/974891416.db2.gz GVRWUIIIGBFUHJ-UHFFFAOYSA-N 1 0 239.278 2.498 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/nfs/dbraw/zinc/05/86/71/975058671.db2.gz PESIBMZWUKAVOO-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO Cc1ccc(C#N)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001226757560 975061137 /nfs/dbraw/zinc/06/11/37/975061137.db2.gz YCUIYKPDMBJJQP-LBPRGKRZSA-N 1 0 233.335 2.340 20 30 BEEDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC#N ZINC001173216848 975070184 /nfs/dbraw/zinc/07/01/84/975070184.db2.gz NGEUYPHLABSCEJ-JTQLQIEISA-N 1 0 233.271 2.029 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220364 975075027 /nfs/dbraw/zinc/07/50/27/975075027.db2.gz ZEZXTVBYLZJVCF-MNOVXSKESA-N 1 0 232.283 2.137 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173219877 975075567 /nfs/dbraw/zinc/07/55/67/975075567.db2.gz QAPVWLCGXOIPME-NSHDSACASA-N 1 0 232.283 2.139 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cc(C#N)ccc2C)C1 ZINC001226874662 975131767 /nfs/dbraw/zinc/13/17/67/975131767.db2.gz PBFMELLMWCGKQU-ZDUSSCGKSA-N 1 0 230.311 2.340 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cccc(C)c2C#N)C1 ZINC001226919698 975151434 /nfs/dbraw/zinc/15/14/34/975151434.db2.gz BLYXNIOSUGVBOW-LBPRGKRZSA-N 1 0 230.311 2.340 20 30 BEEDRO C#CC[NH2+][C@H](C)Cc1ccc(CC)cc1 ZINC001173237873 975161746 /nfs/dbraw/zinc/16/17/46/975161746.db2.gz KJMDCNANZNJLMC-GFCCVEGCSA-N 1 0 201.313 2.403 20 30 BEEDRO CCSC[C@@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001173295724 975179195 /nfs/dbraw/zinc/17/91/95/975179195.db2.gz IEMNCCJOBIFTIW-MRVPVSSYSA-N 1 0 241.385 2.246 20 30 BEEDRO CCSC[C@@H](C)[NH2+]CC(C)(C)S ZINC001173297581 975185920 /nfs/dbraw/zinc/18/59/20/975185920.db2.gz VNEYECSKQMTRLY-MRVPVSSYSA-N 1 0 207.408 2.426 20 30 BEEDRO CCSC[C@@H](C)N1CCC[C@@H](C#N)C1 ZINC001173305688 975213141 /nfs/dbraw/zinc/21/31/41/975213141.db2.gz BGHFSXHODJDQIQ-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC001173308058 975217210 /nfs/dbraw/zinc/21/72/10/975217210.db2.gz DJAZRMXUXPBRNU-UHFFFAOYSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCOC1CCC(n2ccc(CC[NH3+])n2)CC1 ZINC001173313485 975223570 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ZINC001334812762 976715005 /nfs/dbraw/zinc/71/50/05/976715005.db2.gz JKFYHRPPPPWIEE-LLVKDONJSA-N 1 0 232.327 2.379 20 30 BEEDRO Cc1c[nH+]ccc1Nc1c(C#N)cnn1C(C)C ZINC001174536194 976817176 /nfs/dbraw/zinc/81/71/76/976817176.db2.gz KFRQPNJBBVCWGG-UHFFFAOYSA-N 1 0 241.298 2.205 20 30 BEEDRO Cc1c[nH+]ccc1Nc1cc(C#N)cnc1C ZINC001174536496 976817966 /nfs/dbraw/zinc/81/79/66/976817966.db2.gz NZTKXMFUZWFLKI-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO COc1ccc(Nc2cc[nH+]cc2C)cc1C#N ZINC001174540132 976831551 /nfs/dbraw/zinc/83/15/51/976831551.db2.gz VMUQIKXWKXBFHG-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C#CC[N@H+](Cc1cnc2c(C)cccn12)C(C)C ZINC001335117290 976855502 /nfs/dbraw/zinc/85/55/02/976855502.db2.gz MGTPAHRSLCRFKG-UHFFFAOYSA-N 1 0 241.338 2.486 20 30 BEEDRO CC#CCN(C)Cc1cccn1C1CC1 ZINC001335117998 976857318 /nfs/dbraw/zinc/85/73/18/976857318.db2.gz PGVNNKQZCKHUMQ-UHFFFAOYSA-N 1 0 202.301 2.278 20 30 BEEDRO C#CC(C#C)Oc1cccc([C@@H](C)[NH+](C)C)c1 ZINC001229623894 976917725 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/nfs/dbraw/zinc/83/35/27/977833527.db2.gz UAZJONBSMKBBCZ-UHFFFAOYSA-N 1 0 228.255 2.057 20 30 BEEDRO N#Cc1ccncc1Nc1ccc(C[NH3+])cc1 ZINC001175966234 977836763 /nfs/dbraw/zinc/83/67/63/977836763.db2.gz JSGDXXXQEXHDNS-UHFFFAOYSA-N 1 0 224.267 2.156 20 30 BEEDRO N#Cc1ccc(O)c(Nc2ccc(C[NH3+])cc2)c1 ZINC001175968968 977837865 /nfs/dbraw/zinc/83/78/65/977837865.db2.gz RLJGTUJEZQCHEC-UHFFFAOYSA-N 1 0 239.278 2.466 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2ncccc2[nH]1 ZINC001232064074 977877720 /nfs/dbraw/zinc/87/77/20/977877720.db2.gz ASAFLRQIXQJAJL-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cc3ncccc3[nH]2)C1 ZINC001232065324 977878642 /nfs/dbraw/zinc/87/86/42/977878642.db2.gz SPBGRRXTAYUADG-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO N#Cc1ccc(Nc2[nH]cc[nH+]2)c(F)c1F ZINC001176084395 977883529 /nfs/dbraw/zinc/88/35/29/977883529.db2.gz NUBABUXGDCNNIR-UHFFFAOYSA-N 1 0 220.182 2.303 20 30 BEEDRO N#Cc1cc(Nc2[nH]cc[nH+]2)cc(F)c1F ZINC001176085289 977886492 /nfs/dbraw/zinc/88/64/92/977886492.db2.gz IZRQAXHPACWATF-UHFFFAOYSA-N 1 0 220.182 2.303 20 30 BEEDRO Cc1cc(Nc2cc(F)cnc2C#N)cc(C)[nH+]1 ZINC001176051549 977896818 /nfs/dbraw/zinc/89/68/18/977896818.db2.gz FWFLYXQURAJSOL-UHFFFAOYSA-N 1 0 242.257 2.270 20 30 BEEDRO Cc1cc(Nc2ncccc2C#N)cc(C)[nH+]1 ZINC001176052063 977900102 /nfs/dbraw/zinc/90/01/02/977900102.db2.gz MNVOSHNNOXYQAZ-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001336763252 977930282 /nfs/dbraw/zinc/93/02/82/977930282.db2.gz MVJXBMNZTTWCTD-AWEZNQCLSA-N 1 0 219.328 2.146 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC001336776985 977947838 /nfs/dbraw/zinc/94/78/38/977947838.db2.gz XRDHQWPATWXRKV-KKUMJFAQSA-N 1 0 233.355 2.289 20 30 BEEDRO COc1ccncc1Nc1c(O)cccc1C#N ZINC001176124147 977956152 /nfs/dbraw/zinc/95/61/52/977956152.db2.gz JOBKAMYPXFOPKS-UHFFFAOYSA-N 1 0 241.250 2.411 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(N)nc1C ZINC001232343392 978025224 /nfs/dbraw/zinc/02/52/24/978025224.db2.gz XZOHPYANWNTKNE-UHFFFAOYSA-N 1 0 219.332 2.370 20 30 BEEDRO CSc1cc(C)c(CN2CC(CC#N)C2)cn1 ZINC001232345219 978027249 /nfs/dbraw/zinc/02/72/49/978027249.db2.gz GCSWYNSGTFFMKG-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1CC ZINC001595444994 978061560 /nfs/dbraw/zinc/06/15/60/978061560.db2.gz DHIAOSUOBNXBQU-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1CC ZINC001595444990 978062944 /nfs/dbraw/zinc/06/29/44/978062944.db2.gz DHIAOSUOBNXBQU-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#Cc1ccc(NC[C@H](CC(C)C)[NH+](C)C)nc1 ZINC001336969125 978087328 /nfs/dbraw/zinc/08/73/28/978087328.db2.gz BESAXJUIBUFIMP-AWEZNQCLSA-N 1 0 245.370 2.451 20 30 BEEDRO C[C@]1(CF)CC[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001232474462 978124127 /nfs/dbraw/zinc/12/41/27/978124127.db2.gz DRYLINBKGYMRCK-CYBMUJFWSA-N 1 0 233.290 2.135 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(CF)n2)CC1 ZINC001232537723 978166344 /nfs/dbraw/zinc/16/63/44/978166344.db2.gz IQPXJLWHKYGYHU-UHFFFAOYSA-N 1 0 232.302 2.396 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCc1ccnn1C ZINC001176767569 978181275 /nfs/dbraw/zinc/18/12/75/978181275.db2.gz NRVHELVNZMXLDM-CQSZACIVSA-N 1 0 233.359 2.393 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1CCO[C@H](C)C#N ZINC001176771337 978183044 /nfs/dbraw/zinc/18/30/44/978183044.db2.gz JWFMCZALTPFSIE-CHWSQXEVSA-N 1 0 222.332 2.346 20 30 BEEDRO N#CCC1(C[N@@H+]2CCCC[C@@]23CCOC3)CC1 ZINC001176977365 978265014 /nfs/dbraw/zinc/26/50/14/978265014.db2.gz JXBCVJUSLFBTMO-AWEZNQCLSA-N 1 0 234.343 2.325 20 30 BEEDRO Cn1nccc1C[C@@H]1CCC[N@@H+]1CCCCC#N ZINC001177008099 978271925 /nfs/dbraw/zinc/27/19/25/978271925.db2.gz HCRQGIFNPGEUGY-AWEZNQCLSA-N 1 0 246.358 2.121 20 30 BEEDRO CN(Cc1ccc(C#N)s1)C1CC[NH+](C)CC1 ZINC001232841948 978308069 /nfs/dbraw/zinc/30/80/69/978308069.db2.gz GNGGBIUIEKOCNK-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC001337535082 978392852 /nfs/dbraw/zinc/39/28/52/978392852.db2.gz KSHBSADWZAOAGE-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C#C[C@@H](CC(C)C)OCC[NH+]1CCCC1 ZINC001206309490 978421207 /nfs/dbraw/zinc/42/12/07/978421207.db2.gz RZZFTPGFJMTBMW-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)[C@H]1C[C@@H]1C ZINC001177819217 978430131 /nfs/dbraw/zinc/43/01/31/978430131.db2.gz OERKIOBLLXEAPR-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1cc(C#N)ccc1CN1CC(C)([NH+](C)C)C1 ZINC001233082578 978462383 /nfs/dbraw/zinc/46/23/83/978462383.db2.gz GZMIERLFOFMRLQ-UHFFFAOYSA-N 1 0 243.354 2.003 20 30 BEEDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC001233083708 978463884 /nfs/dbraw/zinc/46/38/84/978463884.db2.gz XVYKJBILRJAFJT-HNNXBMFYSA-N 1 0 242.322 2.278 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccccc2O)C1 ZINC001337728280 978474220 /nfs/dbraw/zinc/47/42/20/978474220.db2.gz RJEQKHCXNLPHCB-CYBMUJFWSA-N 1 0 233.311 2.169 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(O)c(OCC2CC2)c1 ZINC001233228134 978497886 /nfs/dbraw/zinc/49/78/86/978497886.db2.gz KHIUDZRMOVCVOA-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)[C@H](C)CC)[C@H]1C ZINC001178143271 978512504 /nfs/dbraw/zinc/51/25/04/978512504.db2.gz DCWJJSUMAUCYPI-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CCCC)[C@H]1C ZINC001178152223 978512894 /nfs/dbraw/zinc/51/28/94/978512894.db2.gz UNGJRKFECCKUNU-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[NH+]1CCC(Nc2cc(Cl)ccn2)CC1 ZINC001337992376 978584576 /nfs/dbraw/zinc/58/45/76/978584576.db2.gz LSEALSMHMXMFFF-UHFFFAOYSA-N 1 0 249.745 2.245 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2scnc2c1 ZINC001178590023 978588954 /nfs/dbraw/zinc/58/89/54/978588954.db2.gz VTWAZWMUINTBLU-NSHDSACASA-N 1 0 248.351 2.323 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(OCC)cc1 ZINC001338119378 978618356 /nfs/dbraw/zinc/61/83/56/978618356.db2.gz OVTYYZGJFXOLRF-ZDUSSCGKSA-N 1 0 235.327 2.376 20 30 BEEDRO C=C(C)CCC(=O)N(CC[NH+](C)C)C(C)C ZINC001338280662 978653245 /nfs/dbraw/zinc/65/32/45/978653245.db2.gz OKZWBOCPDXCBPQ-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C=C1CCC1 ZINC001233622665 978650447 /nfs/dbraw/zinc/65/04/47/978650447.db2.gz NEZLUCQJKVOSIV-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO N#Cc1ccc(CC[NH2+]Cc2ccncc2)cc1 ZINC001179142388 978666588 /nfs/dbraw/zinc/66/65/88/978666588.db2.gz HCIQGATVLOXNJX-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CCC ZINC000722022052 978693916 /nfs/dbraw/zinc/69/39/16/978693916.db2.gz SKYFMCYRHVVVTG-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccc(Cl)cc1 ZINC001338503930 978697700 /nfs/dbraw/zinc/69/77/00/978697700.db2.gz DLJQABHXOULHDC-UONOGXRCSA-N 1 0 249.741 2.375 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC001179489993 978712672 /nfs/dbraw/zinc/71/26/72/978712672.db2.gz ZVMBSTZZFVRNBQ-MCIONIFRSA-N 1 0 221.344 2.095 20 30 BEEDRO C=CCCCCCN1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001206404415 978785793 /nfs/dbraw/zinc/78/57/93/978785793.db2.gz KVPIIRBNGUPNTD-RYUDHWBXSA-N 1 0 214.328 2.104 20 30 BEEDRO C=CCCCCCCN1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001206405368 978794055 /nfs/dbraw/zinc/79/40/55/978794055.db2.gz QCOMNMIIJALBNF-CHWSQXEVSA-N 1 0 228.355 2.494 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@]1(C)CCCCO1 ZINC001180240283 978845800 /nfs/dbraw/zinc/84/58/00/978845800.db2.gz WAIIMJFJRACWCZ-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@]1(C)CCCCO1 ZINC001180240281 978846462 /nfs/dbraw/zinc/84/64/62/978846462.db2.gz WAIIMJFJRACWCZ-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C#Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)nc1 ZINC001339537034 978866136 /nfs/dbraw/zinc/86/61/36/978866136.db2.gz VLXNFUFMLWZSGI-ZIAGYGMSSA-N 1 0 241.338 2.102 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC ZINC001234625627 978875879 /nfs/dbraw/zinc/87/58/79/978875879.db2.gz NDCWDBFMAQHQLD-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC001180469465 978891346 /nfs/dbraw/zinc/89/13/46/978891346.db2.gz JUFYIXNVDHUHOE-UHFFFAOYSA-N 1 0 241.338 2.127 20 30 BEEDRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@H](C)CC#N)cc1 ZINC001339715726 978899261 /nfs/dbraw/zinc/89/92/61/978899261.db2.gz QCXIBUUTYCWJFF-NXEZZACHSA-N 1 0 231.299 2.195 20 30 BEEDRO COc1cc(C#N)cc(C)c1O[C@@H](C)C[NH+](C)C ZINC001234865780 978921721 /nfs/dbraw/zinc/92/17/21/978921721.db2.gz YCPYTMUJAVKYHJ-NSHDSACASA-N 1 0 248.326 2.204 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@]1(C)CCCCO1 ZINC001180698197 978931015 /nfs/dbraw/zinc/93/10/15/978931015.db2.gz PAJZMMXBOIKKBW-GFCCVEGCSA-N 1 0 210.321 2.085 20 30 BEEDRO CCCCCCCN1CC[C@@H]2[NH2+]CC[C@@H]21 ZINC001235000770 978948397 /nfs/dbraw/zinc/94/83/97/978948397.db2.gz AJZIVVHTUKIWDN-STQMWFEESA-N 1 0 210.365 2.393 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC001180855228 978953304 /nfs/dbraw/zinc/95/33/04/978953304.db2.gz KYPQPRZUNVFGHM-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1 ZINC001180866483 978959292 /nfs/dbraw/zinc/95/92/92/978959292.db2.gz PVIUTYSSVIDYFP-GXTWGEPZSA-N 1 0 246.354 2.370 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(C)c(OC)n1 ZINC001180906936 978962568 /nfs/dbraw/zinc/96/25/68/978962568.db2.gz NSVJRBYCSXJQAA-UHFFFAOYSA-N 1 0 220.316 2.407 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001181038455 978988397 /nfs/dbraw/zinc/98/83/97/978988397.db2.gz AJNFRQSJOUDIQY-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCN1CC[C@H]2[NH2+]CC[C@@H]21 ZINC001235234957 979002322 /nfs/dbraw/zinc/00/23/22/979002322.db2.gz AJZIVVHTUKIWDN-OLZOCXBDSA-N 1 0 210.365 2.393 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)c1ccc(C)cc1 ZINC000071275433 979017295 /nfs/dbraw/zinc/01/72/95/979017295.db2.gz MACJNJLTIQYPFQ-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001277937646 979024170 /nfs/dbraw/zinc/02/41/70/979024170.db2.gz GYCFDQHLUCNDKF-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC001340473582 979025427 /nfs/dbraw/zinc/02/54/27/979025427.db2.gz YSDVBABDEPOBHX-JHJVBQTASA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H](C)CC1(C)C ZINC001340506933 979029935 /nfs/dbraw/zinc/02/99/35/979029935.db2.gz FDBKRAWOPPQTPT-VXGBXAGGSA-N 1 0 238.375 2.317 20 30 BEEDRO C[N@@H+]1CCC[C@@]2(CCCN(CCCC#N)C2)C1 ZINC001277942770 979036313 /nfs/dbraw/zinc/03/63/13/979036313.db2.gz CNRGCMKATSSYEY-CQSZACIVSA-N 1 0 235.375 2.098 20 30 BEEDRO N#CCCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCC1 ZINC001277943317 979040978 /nfs/dbraw/zinc/04/09/78/979040978.db2.gz SDEQSQBETNWPBV-GASCZTMLSA-N 1 0 247.386 2.381 20 30 BEEDRO N#CCc1ccccc1C[NH+]1CCSCC1 ZINC001235513713 979065319 /nfs/dbraw/zinc/06/53/19/979065319.db2.gz DSTBVEHMHVRODX-UHFFFAOYSA-N 1 0 232.352 2.301 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2CC#N)CCCO1 ZINC001235512924 979065906 /nfs/dbraw/zinc/06/59/06/979065906.db2.gz XTTAXWJWDOXNMG-CYBMUJFWSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/CC)C1 ZINC001181386098 979072798 /nfs/dbraw/zinc/07/27/98/979072798.db2.gz FZFQPJAQCBPDQK-BWODNOAJSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)CCNC(=O)c1ccccc1C[NH3+] ZINC001340817093 979117505 /nfs/dbraw/zinc/11/75/05/979117505.db2.gz LSVBYJLHAYTVKK-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO C=CCCN(Cc1ccccc1)C[C@@H]1CC[NH2+]1 ZINC001235702498 979130324 /nfs/dbraw/zinc/13/03/24/979130324.db2.gz KYEVVCNHJQRFEU-HNNXBMFYSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001340888283 979140584 /nfs/dbraw/zinc/14/05/84/979140584.db2.gz RJZKCTKLHPDBFE-SDDRHHMPSA-N 1 0 242.338 2.067 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC001340908317 979154611 /nfs/dbraw/zinc/15/46/11/979154611.db2.gz ZQXAUYPYHLNHRM-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCC(=C)C)C1 ZINC001181518113 979157995 /nfs/dbraw/zinc/15/79/95/979157995.db2.gz VTOLKUYODNGBLY-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1CCC=CCC1 ZINC001340983810 979185995 /nfs/dbraw/zinc/18/59/95/979185995.db2.gz RMLQWIFHCHBCMT-CYBMUJFWSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC001341024948 979195288 /nfs/dbraw/zinc/19/52/88/979195288.db2.gz KPZHOOUMNFOVOO-OAHLLOKOSA-N 1 0 246.354 2.291 20 30 BEEDRO N#C[C@@H]1CN(CCCC2CCCCC2)CCN1 ZINC001235913918 979203647 /nfs/dbraw/zinc/20/36/47/979203647.db2.gz PTGMMHHQHDVHIG-CQSZACIVSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)CCC1CC1 ZINC001341041408 979204488 /nfs/dbraw/zinc/20/44/88/979204488.db2.gz KRLAVLBCLMVGDW-YPMHNXCESA-N 1 0 238.375 2.365 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001181709782 979257203 /nfs/dbraw/zinc/25/72/03/979257203.db2.gz XBPDKSJMLNRPJG-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](Cc1cc(OC)cc(C)n1)CC1CC1 ZINC001341175317 979263548 /nfs/dbraw/zinc/26/35/48/979263548.db2.gz IHKRNCWUIFEREO-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CCOCC[N@H+](C)CCCCC(F)(F)F ZINC001341258064 979297141 /nfs/dbraw/zinc/29/71/41/979297141.db2.gz NNDIKQJKULIYOB-UHFFFAOYSA-N 1 0 237.265 2.301 20 30 BEEDRO C=CCCCCCCCN1CCOC[C@@H]1C[NH3+] ZINC001236046866 979342022 /nfs/dbraw/zinc/34/20/22/979342022.db2.gz BVJIWGDNKGKOII-AWEZNQCLSA-N 1 0 240.391 2.173 20 30 BEEDRO CCCCCCCN(C1CC1)C1C[NH2+]C1 ZINC001236062512 979352828 /nfs/dbraw/zinc/35/28/28/979352828.db2.gz HRYKZTJNCIDTTH-UHFFFAOYSA-N 1 0 210.365 2.393 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001181916988 979371563 /nfs/dbraw/zinc/37/15/63/979371563.db2.gz KPFVGPJCCHXNGT-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001181978987 979385511 /nfs/dbraw/zinc/38/55/11/979385511.db2.gz KOFJPYBSZCBVHO-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)C[C@@H]1CC ZINC001341463473 979412777 /nfs/dbraw/zinc/41/27/77/979412777.db2.gz FZKQOZQCQPDMOK-AGIUHOORSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)CC[C@@H]1C ZINC001341466450 979416692 /nfs/dbraw/zinc/41/66/92/979416692.db2.gz QZYSBQQKAHWJTG-AGIUHOORSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)CC ZINC001341492681 979433633 /nfs/dbraw/zinc/43/36/33/979433633.db2.gz HRVOODDRWXIHPC-SRVKXCTJSA-N 1 0 226.364 2.221 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)CC ZINC001341492684 979436588 /nfs/dbraw/zinc/43/65/88/979436588.db2.gz HRVOODDRWXIHPC-WOPDTQHZSA-N 1 0 226.364 2.221 20 30 BEEDRO C=CCCCCCCCN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236282187 979482577 /nfs/dbraw/zinc/48/25/77/979482577.db2.gz JDXNAKKTJRNYSG-ZIAGYGMSSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCCCN(CC)C(=O)C1([NH3+])CCCC1 ZINC001341594216 979484706 /nfs/dbraw/zinc/48/47/06/979484706.db2.gz VIKLBDCQZFSJHN-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC001341594365 979485044 /nfs/dbraw/zinc/48/50/44/979485044.db2.gz WWVWFEJXHQSHLE-JOCQHMNTSA-N 1 0 238.375 2.319 20 30 BEEDRO Cc1noc(C2CC([NH2+]CC(C)(C)CC#N)C2)n1 ZINC001182260563 979485447 /nfs/dbraw/zinc/48/54/47/979485447.db2.gz GKRDSLZKCOQHJS-UHFFFAOYSA-N 1 0 248.330 2.154 20 30 BEEDRO CC(C)(C)C#CC(=O)Nc1cccc2c1C[NH2+]C2 ZINC001341623030 979495112 /nfs/dbraw/zinc/49/51/12/979495112.db2.gz LFXGRKAOXVMVRV-UHFFFAOYSA-N 1 0 242.322 2.278 20 30 BEEDRO C[C@@H]([NH3+])CN1CCC(C#Cc2ccccc2)CC1 ZINC001236303554 979508854 /nfs/dbraw/zinc/50/88/54/979508854.db2.gz RPXOACKXGBXGNO-CQSZACIVSA-N 1 0 242.366 2.097 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2conc2C)c1 ZINC001182369036 979509786 /nfs/dbraw/zinc/50/97/86/979509786.db2.gz KFDURNAUIBVLBB-UHFFFAOYSA-N 1 0 226.279 2.254 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CCC(C)(C)[NH3+] ZINC001341670383 979517145 /nfs/dbraw/zinc/51/71/45/979517145.db2.gz SFRWOWKRCUIGTQ-GFCCVEGCSA-N 1 0 238.375 2.461 20 30 BEEDRO C=CCCCCN(CCOC)[C@@H]1CCC[NH2+]C1 ZINC001236327060 979538373 /nfs/dbraw/zinc/53/83/73/979538373.db2.gz JAWNRNOVYHXQAE-CQSZACIVSA-N 1 0 240.391 2.043 20 30 BEEDRO N#CCCCC1=CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001250060165 979539239 /nfs/dbraw/zinc/53/92/39/979539239.db2.gz LRSSIVRTDCWLOW-CQSZACIVSA-N 1 0 234.343 2.491 20 30 BEEDRO C#Cc1ccc(CN(CCC)[C@H]2CC[NH2+]C2)cc1 ZINC001236323022 979539258 /nfs/dbraw/zinc/53/92/58/979539258.db2.gz BOJXFEWJVNILSQ-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO N#Cc1cnccc1-c1cccc2c1CC[NH2+]C2 ZINC001236347964 979550199 /nfs/dbraw/zinc/55/01/99/979550199.db2.gz KXOAIRHIJOWZRL-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC001341789527 979562268 /nfs/dbraw/zinc/56/22/68/979562268.db2.gz YQPFHRRJZNZFCH-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO N#Cc1sccc1Nc1cc[nH+]c(N)c1 ZINC001206527812 979563592 /nfs/dbraw/zinc/56/35/92/979563592.db2.gz FPFRCVZUZSYCEG-UHFFFAOYSA-N 1 0 216.269 2.341 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2ccc(C#N)nn2)c1 ZINC001236416072 979590417 /nfs/dbraw/zinc/59/04/17/979590417.db2.gz YFGNZRRWZCVWJN-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C/C(=N\COC)c1cccc(C[NH+](C)C)c1 ZINC001236418939 979592663 /nfs/dbraw/zinc/59/26/63/979592663.db2.gz WXPFFPLZLBAYEP-CCEZHUSRSA-N 1 0 232.327 2.327 20 30 BEEDRO N#Cc1ccc(-c2c[nH+]ccc2N)c(F)c1 ZINC001236530628 979620543 /nfs/dbraw/zinc/62/05/43/979620543.db2.gz MOJGTRDSTWTNAL-UHFFFAOYSA-N 1 0 213.215 2.172 20 30 BEEDRO N#Cc1ccc(-c2ccc(C[NH3+])nc2)c(F)c1 ZINC001236530624 979621916 /nfs/dbraw/zinc/62/19/16/979621916.db2.gz MJYUWZQRCXWOGQ-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cccnc1N ZINC001183044391 979707334 /nfs/dbraw/zinc/70/73/34/979707334.db2.gz CIEXMHKMIUNEQG-UHFFFAOYSA-N 1 0 219.332 2.498 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CCC2)C1 ZINC001183045072 979707946 /nfs/dbraw/zinc/70/79/46/979707946.db2.gz RZBPJLPPDBGADN-UHFFFAOYSA-N 1 0 248.370 2.041 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(OC)cc(C(=O)OC)c1 ZINC001236769390 979726646 /nfs/dbraw/zinc/72/66/46/979726646.db2.gz MBOFJHDNZHCFEX-UHFFFAOYSA-N 1 0 249.310 2.100 20 30 BEEDRO C=CCOc1ccccc1CN(C)C[C@@H]([NH3+])CC ZINC001236868205 979771299 /nfs/dbraw/zinc/77/12/99/979771299.db2.gz IFJNXPQCCATSBQ-AWEZNQCLSA-N 1 0 248.370 2.421 20 30 BEEDRO C=CCCCCN1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001236974649 979800996 /nfs/dbraw/zinc/80/09/96/979800996.db2.gz DHULVLXTZRTAPZ-SNVBAGLBSA-N 1 0 236.281 2.179 20 30 BEEDRO CCCCC[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000691640247 979823736 /nfs/dbraw/zinc/82/37/36/979823736.db2.gz AKPNHFDINJOGEB-RYUDHWBXSA-N 1 0 239.363 2.093 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCC1CC=CC1 ZINC001342667087 979860510 /nfs/dbraw/zinc/86/05/10/979860510.db2.gz WDENONVPIISNNH-CYBMUJFWSA-N 1 0 236.359 2.143 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCN(CC)C2)CC1 ZINC001183651925 979860981 /nfs/dbraw/zinc/86/09/81/979860981.db2.gz LDGPFEQMYVSHHD-RBSFLKMASA-N 1 0 234.387 2.252 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1 ZINC001237281996 979860984 /nfs/dbraw/zinc/86/09/84/979860984.db2.gz WXIDEHAVTKYIBZ-LLVKDONJSA-N 1 0 233.286 2.377 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C/C=C/c1ccccc1OC ZINC001342725518 979877864 /nfs/dbraw/zinc/87/78/64/979877864.db2.gz AKTXANZVFLMKMB-KGXGESDWSA-N 1 0 247.338 2.499 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC001342734456 979881077 /nfs/dbraw/zinc/88/10/77/979881077.db2.gz XKODITVZXVCTDH-KGLIPLIRSA-N 1 0 246.354 2.056 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC(C(C)C)C(C)C ZINC001342828025 979907827 /nfs/dbraw/zinc/90/78/27/979907827.db2.gz TWCXEEZFQGBRNR-GFCCVEGCSA-N 1 0 240.391 2.467 20 30 BEEDRO Cc1cccc(O)c1CN1CCC[C@H]1C#N ZINC001237482540 979910201 /nfs/dbraw/zinc/91/02/01/979910201.db2.gz LNLMWRQLGDRAQK-NSHDSACASA-N 1 0 216.284 2.189 20 30 BEEDRO C#CC[N@@H+](C)Cc1cnc2c(F)cccc2c1 ZINC001184115751 979953861 /nfs/dbraw/zinc/95/38/61/979953861.db2.gz MSXHNFZBIISHGD-UHFFFAOYSA-N 1 0 228.270 2.439 20 30 BEEDRO C#CC[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC001184116439 979954778 /nfs/dbraw/zinc/95/47/78/979954778.db2.gz YOFUSVCXKPRVPT-CQSZACIVSA-N 1 0 228.339 2.078 20 30 BEEDRO Cc1coc(CN2CCC(C)(C#N)CC2)n1 ZINC001237649659 980002680 /nfs/dbraw/zinc/00/26/80/980002680.db2.gz POBVFNBNXIDZQN-UHFFFAOYSA-N 1 0 219.288 2.109 20 30 BEEDRO CCc1n[nH]cc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001237650480 980003074 /nfs/dbraw/zinc/00/30/74/980003074.db2.gz HPAAQDGNXZUQRN-LLVKDONJSA-N 1 0 232.331 2.098 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)CCC(C)C ZINC001343118345 980012451 /nfs/dbraw/zinc/01/24/51/980012451.db2.gz WXNAJSJIACPBRB-GFCCVEGCSA-N 1 0 226.364 2.175 20 30 BEEDRO C[C@H](CC1CCC1)[NH2+]CC1(C#N)CCOCC1 ZINC001184279127 980013694 /nfs/dbraw/zinc/01/36/94/980013694.db2.gz XLTIOJGGPSAFKB-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC001343122467 980015127 /nfs/dbraw/zinc/01/51/27/980015127.db2.gz GEIXHRHPOFWRAV-CHWSQXEVSA-N 1 0 240.391 2.421 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C)CC1 ZINC001343206968 980039885 /nfs/dbraw/zinc/03/98/85/980039885.db2.gz ZIRKZJQGJXSVOQ-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC(C)(C)CCC ZINC001343213593 980040033 /nfs/dbraw/zinc/04/00/33/980040033.db2.gz JNUPOVGRAVZWEB-LLVKDONJSA-N 1 0 226.364 2.365 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC001343233098 980041801 /nfs/dbraw/zinc/04/18/01/980041801.db2.gz LVIFYIGBWJBSOQ-YPMHNXCESA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CC1CC([NH3+])C1 ZINC001343232004 980044826 /nfs/dbraw/zinc/04/48/26/980044826.db2.gz BYXHCMSNUPJPNG-WXRRBKDZSA-N 1 0 236.359 2.071 20 30 BEEDRO C[N@@H+]1CCN(Cc2csc(C#N)c2)CC1(C)C ZINC001343247211 980046426 /nfs/dbraw/zinc/04/64/26/980046426.db2.gz SQAIQLSCLBWACR-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2CSC2)C1 ZINC001184387490 980057432 /nfs/dbraw/zinc/05/74/32/980057432.db2.gz LGESVUVKFPYPFU-CMPLNLGQSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]CCC ZINC001343343605 980074724 /nfs/dbraw/zinc/07/47/24/980074724.db2.gz HIGSSARZZICQET-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@H](C)[NH2+]CCC ZINC001343343608 980075119 /nfs/dbraw/zinc/07/51/19/980075119.db2.gz HIGSSARZZICQET-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C)n1 ZINC001343355046 980078967 /nfs/dbraw/zinc/07/89/67/980078967.db2.gz VXMIKFXLKKNFGX-LLVKDONJSA-N 1 0 233.315 2.012 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccnc1N(C)C)C(C)(C)C ZINC001343369194 980081806 /nfs/dbraw/zinc/08/18/06/980081806.db2.gz WJZZIBXNEXJZHC-CYBMUJFWSA-N 1 0 245.370 2.285 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2occc2OC)C1 ZINC001237875817 980109689 /nfs/dbraw/zinc/10/96/89/980109689.db2.gz ZYFUFIITBVWWJJ-LLVKDONJSA-N 1 0 219.284 2.133 20 30 BEEDRO C[NH+](C)CCc1cc(Cl)cc(C#N)c1 ZINC001250157853 980110751 /nfs/dbraw/zinc/11/07/51/980110751.db2.gz PRQFTQFFGNEVOB-UHFFFAOYSA-N 1 0 208.692 2.316 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC(=C)C1 ZINC001184794731 980133602 /nfs/dbraw/zinc/13/36/02/980133602.db2.gz LBDDUZHREYDVLB-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C1CC(C)(C(=O)N(C(C)C)C(C)(C)C[NH3+])C1 ZINC001184795298 980138303 /nfs/dbraw/zinc/13/83/03/980138303.db2.gz VXDCBLUZFWFGHW-UHFFFAOYSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001184910087 980148918 /nfs/dbraw/zinc/14/89/18/980148918.db2.gz YQHPKUNOSYBFIG-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001184980968 980157156 /nfs/dbraw/zinc/15/71/56/980157156.db2.gz CDXXEERYYFKTDN-SVSAJMPUSA-N 1 0 248.370 2.275 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)F ZINC001151493143 980268998 /nfs/dbraw/zinc/26/89/98/980268998.db2.gz IMMYVCKINOQAEH-LLVKDONJSA-N 1 0 244.354 2.137 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1cc(F)ccc1C#N ZINC001185970042 980308632 /nfs/dbraw/zinc/30/86/32/980308632.db2.gz SHAUGQRUDPJKSJ-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO C[C@@H]1[C@H](C)N(c2cc(F)ccc2C#N)CC[N@H+]1C ZINC001185970044 980309752 /nfs/dbraw/zinc/30/97/52/980309752.db2.gz SHAUGQRUDPJKSJ-MNOVXSKESA-N 1 0 247.317 2.226 20 30 BEEDRO CCc1cc(C[N@H+](C)CCOC)ccc1C#N ZINC001238765287 980322769 /nfs/dbraw/zinc/32/27/69/980322769.db2.gz DIYTXTNLNXAVMW-UHFFFAOYSA-N 1 0 232.327 2.199 20 30 BEEDRO CCc1cc(C[N@H+](C)CC2COC2)ccc1C#N ZINC001238777251 980323905 /nfs/dbraw/zinc/32/39/05/980323905.db2.gz CROUDALELNVAKV-UHFFFAOYSA-N 1 0 244.338 2.199 20 30 BEEDRO C=C[C@@H](CC)CC(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC001344049920 980327756 /nfs/dbraw/zinc/32/77/56/980327756.db2.gz HKNXCRBTYDZLPY-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc(C)c1F ZINC001344069968 980335225 /nfs/dbraw/zinc/33/52/25/980335225.db2.gz PEBZGDNYMHMXGA-GFCCVEGCSA-N 1 0 223.291 2.425 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc(C)c1F ZINC001344069969 980336976 /nfs/dbraw/zinc/33/69/76/980336976.db2.gz PEBZGDNYMHMXGA-LBPRGKRZSA-N 1 0 223.291 2.425 20 30 BEEDRO Cc1c(C#N)ccnc1C1=CCC[NH2+]CC1 ZINC001238934766 980371284 /nfs/dbraw/zinc/37/12/84/980371284.db2.gz DTSKZFNMMYGFQJ-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO Cc1ccnc(C#N)c1C1=CCC[NH2+]CC1 ZINC001238950356 980389310 /nfs/dbraw/zinc/38/93/10/980389310.db2.gz NBVBUHPEMDPZRZ-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CC(C)C)C1 ZINC001186637699 980426954 /nfs/dbraw/zinc/42/69/54/980426954.db2.gz BJMBJNSBFNFNIX-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=C)C)C[C@H]21 ZINC001187200473 980486558 /nfs/dbraw/zinc/48/65/58/980486558.db2.gz VLDYTIFOQMIBGB-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO CCCCCCCNC(=O)N[C@@H]1CC[NH2+][C@@H]1C ZINC001239210512 980498341 /nfs/dbraw/zinc/49/83/41/980498341.db2.gz BJZNOSUZEYVPHH-VXGBXAGGSA-N 1 0 241.379 2.006 20 30 BEEDRO CCCCCCC[C@H](C)NC(=O)N[C@H](C)C[NH3+] ZINC001239225319 980499823 /nfs/dbraw/zinc/49/98/23/980499823.db2.gz UWJASTXBNYRJKX-NWDGAFQWSA-N 1 0 243.395 2.382 20 30 BEEDRO CCCCCCC[C@H](C)NC(=O)NC1C[NH2+]C1 ZINC001239213150 980500084 /nfs/dbraw/zinc/50/00/84/980500084.db2.gz XRUHFZBUAVNXBM-NSHDSACASA-N 1 0 241.379 2.006 20 30 BEEDRO CCCCCCCNC(=O)N(C)C[C@@H]([NH3+])CC ZINC001239308346 980526306 /nfs/dbraw/zinc/52/63/06/980526306.db2.gz XJOSTBVWESWICT-LBPRGKRZSA-N 1 0 243.395 2.336 20 30 BEEDRO CCCCCCCOC(=O)NC[C@@H]1CCC[NH2+]1 ZINC001239319705 980531357 /nfs/dbraw/zinc/53/13/57/980531357.db2.gz PWQCQPDAPSGQGE-LBPRGKRZSA-N 1 0 242.363 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@H](F)CC ZINC001273547701 980546097 /nfs/dbraw/zinc/54/60/97/980546097.db2.gz GUMUPHPQEIOZAC-GFCCVEGCSA-N 1 0 244.354 2.091 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccccc1NC ZINC001345097930 980547785 /nfs/dbraw/zinc/54/77/85/980547785.db2.gz OLORPQRKQBFBJU-GFCCVEGCSA-N 1 0 220.316 2.019 20 30 BEEDRO CCCCCCCCNC(=S)N[C@@H](C)C[NH3+] ZINC001239370483 980553473 /nfs/dbraw/zinc/55/34/73/980553473.db2.gz RJDHGSDEKDSVBI-NSHDSACASA-N 1 0 245.436 2.158 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001187787020 980557575 /nfs/dbraw/zinc/55/75/75/980557575.db2.gz IFCYSLMLDDYBIN-UYEGUDHTSA-N 1 0 248.370 2.061 20 30 BEEDRO CCCCCCC[C@@H](C)NC(=S)NCC[NH3+] ZINC001239398794 980558476 /nfs/dbraw/zinc/55/84/76/980558476.db2.gz ZRHZZIWSBRZESI-LLVKDONJSA-N 1 0 245.436 2.158 20 30 BEEDRO C=CCCCN(CC)C(=O)CC[C@@H]1CC[NH2+]C1 ZINC001345603344 980643147 /nfs/dbraw/zinc/64/31/47/980643147.db2.gz PHZJQFOKYIYXDR-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H]1CCN(C(=O)CCC)C1 ZINC001188633755 980683719 /nfs/dbraw/zinc/68/37/19/980683719.db2.gz IZJPNAOTVWUBQL-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001188821247 980709940 /nfs/dbraw/zinc/70/99/40/980709940.db2.gz NSCWKWBALZQLKW-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CCCC)C1 ZINC001189317995 980772238 /nfs/dbraw/zinc/77/22/38/980772238.db2.gz GWPWYCVTXVIOBE-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001346180435 980778040 /nfs/dbraw/zinc/77/80/40/980778040.db2.gz OPZLCXSSRMCJNK-AAEUAGOBSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[NH+](CC)CC ZINC001346221381 980791758 /nfs/dbraw/zinc/79/17/58/980791758.db2.gz PHENZVXWQWKGQJ-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(CC)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001346231160 980793222 /nfs/dbraw/zinc/79/32/22/980793222.db2.gz VZYSHKAYHSBCKZ-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001189611823 980806933 /nfs/dbraw/zinc/80/69/33/980806933.db2.gz VOJAGDXVMCMRSE-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001189859111 980818872 /nfs/dbraw/zinc/81/88/72/980818872.db2.gz WRSKWIGWIPJTBI-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC001346421993 980833255 /nfs/dbraw/zinc/83/32/55/980833255.db2.gz WRNISVRZJIWCOQ-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1cnc(C#N)nc1 ZINC001239681190 980840954 /nfs/dbraw/zinc/84/09/54/980840954.db2.gz CJJMQDBZOOWKLI-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1nnccc1C#N ZINC001239680459 980841248 /nfs/dbraw/zinc/84/12/48/980841248.db2.gz XIPILEIJMDUKJJ-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(CC)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC001346699809 980888479 /nfs/dbraw/zinc/88/84/79/980888479.db2.gz MVWZYRHPDSJASG-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110432399 980939213 /nfs/dbraw/zinc/93/92/13/980939213.db2.gz XYRWCLCAWQSYOR-GEMYPJNZSA-N 1 0 248.370 2.250 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC001347005507 980946406 /nfs/dbraw/zinc/94/64/06/980946406.db2.gz HSLLCAYGGWRILX-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(C#N)ccn2)C1 ZINC001191172796 980988784 /nfs/dbraw/zinc/98/87/84/980988784.db2.gz AGVCLNZWQIWYQD-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO CCC#C[C@@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001191173921 980989210 /nfs/dbraw/zinc/98/92/10/980989210.db2.gz KQQHZZZLDFTCKQ-KGLIPLIRSA-N 1 0 222.376 2.062 20 30 BEEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2CCC2)c1 ZINC001347179734 981004491 /nfs/dbraw/zinc/00/44/91/981004491.db2.gz YDEVYWCLYDQREE-UHFFFAOYSA-N 1 0 243.310 2.029 20 30 BEEDRO N#Cc1c(F)cc(-c2c[nH+]ccc2N)cc1F ZINC001239921421 981033472 /nfs/dbraw/zinc/03/34/72/981033472.db2.gz ZJOTXVMUHWLSNX-UHFFFAOYSA-N 1 0 231.205 2.311 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC001347341682 981053198 /nfs/dbraw/zinc/05/31/98/981053198.db2.gz SHMFTLQIQAIDOJ-ZFWWWQNUSA-N 1 0 242.322 2.336 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC001347583491 981122787 /nfs/dbraw/zinc/12/27/87/981122787.db2.gz KVEPRWCHGBWRDW-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)C(C)C ZINC001151992219 981127573 /nfs/dbraw/zinc/12/75/73/981127573.db2.gz TVUNITDFUKLQBD-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC001192501034 981162515 /nfs/dbraw/zinc/16/25/15/981162515.db2.gz LNOZVDWPOUTQHA-OAHLLOKOSA-N 1 0 246.354 2.475 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](C[C@H]2CCCC[C@@H]2O)C1 ZINC001192461614 981162612 /nfs/dbraw/zinc/16/26/12/981162612.db2.gz UOHQBOHWWXOJRQ-HZSPNIEDSA-N 1 0 236.359 2.163 20 30 BEEDRO C#Cc1ccc(NCC[N@H+]2CCC[C@@H](C)C2)nc1 ZINC001347916914 981220107 /nfs/dbraw/zinc/22/01/07/981220107.db2.gz DMXIYDGVUHJVSQ-CYBMUJFWSA-N 1 0 243.354 2.207 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(CC)o1 ZINC001348111443 981285765 /nfs/dbraw/zinc/28/57/65/981285765.db2.gz WKKQKRFSEZTSBQ-LBPRGKRZSA-N 1 0 235.327 2.360 20 30 BEEDRO CC(C)[NH+]1CCC(OCCCC#N)CC1 ZINC001205630980 981302683 /nfs/dbraw/zinc/30/26/83/981302683.db2.gz DWEURSGEWHBDFC-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO N#Cc1cc(-c2nccs2)cc(C2C[NH2+]C2)c1 ZINC001240346018 981309781 /nfs/dbraw/zinc/30/97/81/981309781.db2.gz YLOSUOBLUSGVKO-UHFFFAOYSA-N 1 0 241.319 2.369 20 30 BEEDRO N#CCc1cccnc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240452880 981390234 /nfs/dbraw/zinc/39/02/34/981390234.db2.gz MCFBFLMAYQJBNG-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO Cc1nc(C2=CC[NH2+]CC2)c(C#N)c(C)c1C ZINC001240466535 981399593 /nfs/dbraw/zinc/39/95/93/981399593.db2.gz NQMNSVHVKFXWBA-UHFFFAOYSA-N 1 0 227.311 2.255 20 30 BEEDRO N#Cc1ccc2nccc(C3=CC[NH2+]CC3)c2c1 ZINC001240467414 981401800 /nfs/dbraw/zinc/40/18/00/981401800.db2.gz IWBRWNZPSXWXAN-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO COc1ccc(C2=CC[NH2+]CC2)cc1CC#N ZINC001240467982 981404406 /nfs/dbraw/zinc/40/44/06/981404406.db2.gz VOXFQOGEBKJOEK-UHFFFAOYSA-N 1 0 228.295 2.138 20 30 BEEDRO O/N=C/c1ccc(C2=CC[NH2+]CC2)cc1F ZINC001240470030 981407627 /nfs/dbraw/zinc/40/76/27/981407627.db2.gz QOBMKSWJACGBAH-OVCLIPMQSA-N 1 0 220.247 2.011 20 30 BEEDRO C=C(CC)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001348629705 981410055 /nfs/dbraw/zinc/41/00/55/981410055.db2.gz KGZHZOLKWGFXSR-FUNVUKJBSA-N 1 0 236.359 2.036 20 30 BEEDRO CO/N=C/c1cc(C2=CC[NH2+]CC2)ccc1F ZINC001240471115 981410670 /nfs/dbraw/zinc/41/06/70/981410670.db2.gz VDTLERCZJXVNST-CXUHLZMHSA-N 1 0 234.274 2.183 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC001348850735 981456539 /nfs/dbraw/zinc/45/65/39/981456539.db2.gz RQSRGWHNZQPFHK-UPJWGTAASA-N 1 0 241.375 2.371 20 30 BEEDRO CC(C)=Cc1ncc2c(c1C#N)CCC[NH2+]C2 ZINC001240632394 981523503 /nfs/dbraw/zinc/52/35/03/981523503.db2.gz GWPRHPSHTMEVDP-UHFFFAOYSA-N 1 0 227.311 2.412 20 30 BEEDRO C#CC[N@@H+](C)C[C@@](O)(c1ccccc1)C(C)C ZINC001194058291 981542206 /nfs/dbraw/zinc/54/22/06/981542206.db2.gz LSOWHVINCXSIRI-HNNXBMFYSA-N 1 0 231.339 2.095 20 30 BEEDRO N#Cc1cnc(C2=CCC[NH2+]C2)c2ccccc12 ZINC001240650616 981557215 /nfs/dbraw/zinc/55/72/15/981557215.db2.gz UDHODYLTUWONMW-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO N#Cc1c2c(cnc1C1=CCC[NH2+]C1)CCCC2 ZINC001240656752 981566521 /nfs/dbraw/zinc/56/65/21/981566521.db2.gz KYZCCYPSIWXDPS-UHFFFAOYSA-N 1 0 239.322 2.209 20 30 BEEDRO CC(C)(C#N)c1ccc(C2=CCC[NH2+]C2)cn1 ZINC001240663564 981571080 /nfs/dbraw/zinc/57/10/80/981571080.db2.gz AFYGEADAHLVADX-UHFFFAOYSA-N 1 0 227.311 2.259 20 30 BEEDRO N#Cc1ccc2nccc(C3=CCC[NH2+]C3)c2c1 ZINC001240665138 981575879 /nfs/dbraw/zinc/57/58/79/981575879.db2.gz VPUIXPYFURCMQT-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO N#Cc1ccc2cc(C3=CCC[NH2+]C3)ccc2n1 ZINC001240671404 981581804 /nfs/dbraw/zinc/58/18/04/981581804.db2.gz WBASIBBBHYLSEI-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO N#Cc1cccc(C[NH2+]C/C=C\C2CC2)n1 ZINC001349624667 981599184 /nfs/dbraw/zinc/59/91/84/981599184.db2.gz JJRXKJAVZSVFRA-IHWYPQMZSA-N 1 0 213.284 2.009 20 30 BEEDRO C=CCOC(=O)N(CC)CC[NH+]1CCCCC1 ZINC001194310106 981648767 /nfs/dbraw/zinc/64/87/67/981648767.db2.gz JRXDNZCLWYYPLH-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[C@@H]1C ZINC001584120675 981855138 /nfs/dbraw/zinc/85/51/38/981855138.db2.gz RPPYWJYLRKHVOG-AAEUAGOBSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)c1cc(C[N@@H+](C)CCOC)ccn1 ZINC001240834404 981876759 /nfs/dbraw/zinc/87/67/59/981876759.db2.gz WKZQXJCSMUKQQW-UHFFFAOYSA-N 1 0 220.316 2.193 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](CC)Cc1ccc(C)cc1 ZINC001350329498 981929429 /nfs/dbraw/zinc/92/94/29/981929429.db2.gz IIEIINAPZXVQSI-CVEARBPZSA-N 1 0 245.366 2.290 20 30 BEEDRO COc1cc(C=C2CC[NH2+]CC2)cc(F)c1C#N ZINC001240879027 981931599 /nfs/dbraw/zinc/93/15/99/981931599.db2.gz GIRNPPJIPLVEHE-UHFFFAOYSA-N 1 0 246.285 2.473 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)/C(C)=C/CC)CC1 ZINC001195079019 982061384 /nfs/dbraw/zinc/06/13/84/982061384.db2.gz HUDCUIOIJSEOQP-NTUHNPAUSA-N 1 0 236.359 2.063 20 30 BEEDRO C=C[C@H](C(=O)NC[C@@H](C)[NH+](C)C)c1ccccc1 ZINC001350880802 982111144 /nfs/dbraw/zinc/11/11/44/982111144.db2.gz DXQHYLDVRFLZRO-OCCSQVGLSA-N 1 0 246.354 2.023 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH+]2CCC(C#N)CC2)C1 ZINC000079840262 982151047 /nfs/dbraw/zinc/15/10/47/982151047.db2.gz LNHZDKJKMUFAHJ-QWHCGFSZSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C[C@H](C)CC)CC1 ZINC001195620030 982327464 /nfs/dbraw/zinc/32/74/64/982327464.db2.gz IIHWUMXKWGXBMS-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO CN(C)c1cc[nH+]c(-c2ccnc(C#N)c2)c1 ZINC001241182041 982329620 /nfs/dbraw/zinc/32/96/20/982329620.db2.gz FJRIDZUYRZLTQV-UHFFFAOYSA-N 1 0 224.267 2.081 20 30 BEEDRO C[N@H+]1CC=C(c2[nH]ccc3ncc(C#N)c2-3)CC1 ZINC001241311665 982456909 /nfs/dbraw/zinc/45/69/09/982456909.db2.gz YXKQYFBQTBAIAJ-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C[N@H+]1CC=C(c2ccc3[nH]c(C#N)cc3n2)CC1 ZINC001241312486 982459451 /nfs/dbraw/zinc/45/94/51/982459451.db2.gz BVJYERQSJHEFQO-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C[N@H+]1CC=C(c2cccc(F)c2C#N)CC1 ZINC001241319098 982472570 /nfs/dbraw/zinc/47/25/70/982472570.db2.gz AWNZTBUIEUEIPJ-UHFFFAOYSA-N 1 0 216.259 2.416 20 30 BEEDRO Cc1cc(C2=CC[N@H+](C)CC2)nc(C)c1C#N ZINC001241317730 982474984 /nfs/dbraw/zinc/47/49/84/982474984.db2.gz UNTCSUPQTNLKGN-UHFFFAOYSA-N 1 0 227.311 2.289 20 30 BEEDRO C=C(CC)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001352424295 982521541 /nfs/dbraw/zinc/52/15/41/982521541.db2.gz USEKETWUQAZSGW-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO COc1cc(C#N)ccc1-c1ccnc(C[NH3+])c1 ZINC001241403234 982554583 /nfs/dbraw/zinc/55/45/83/982554583.db2.gz LABFTWJYWJTKPJ-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO COc1cc(C#N)ccc1-c1ccc(C[NH3+])nc1 ZINC001241404934 982555390 /nfs/dbraw/zinc/55/53/90/982555390.db2.gz YNVWWDHIQLTHAN-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)CC#N ZINC001352990043 982656461 /nfs/dbraw/zinc/65/64/61/982656461.db2.gz XTQXBIWTQAABRS-LLVKDONJSA-N 1 0 245.326 2.284 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)/C(C)=C\C ZINC001480442208 982685742 /nfs/dbraw/zinc/68/57/42/982685742.db2.gz QPNHPOAZLDLSLG-DSDFTUOUSA-N 1 0 224.348 2.013 20 30 BEEDRO C[N@@H+]1CCC=C(c2cnc3c(C#N)c[nH]c3c2)C1 ZINC001241571018 982822623 /nfs/dbraw/zinc/82/26/23/982822623.db2.gz UICGTTSYQBAFIM-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH+]2CCCC2)CN1CCCC#N ZINC001198622761 982823883 /nfs/dbraw/zinc/82/38/83/982823883.db2.gz NMYGYEXNLJLDHA-LSDHHAIUSA-N 1 0 249.402 2.485 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH+]2CCCC2)CN1CCCC#N ZINC001198622759 982823985 /nfs/dbraw/zinc/82/39/85/982823985.db2.gz NMYGYEXNLJLDHA-HUUCEWRRSA-N 1 0 249.402 2.485 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccccc2CC#N)C1 ZINC001241571007 982824258 /nfs/dbraw/zinc/82/42/58/982824258.db2.gz SHVUETRHCYLISN-UHFFFAOYSA-N 1 0 212.296 2.472 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc(/C=N/O)c(F)c2)C1 ZINC001241570698 982824420 /nfs/dbraw/zinc/82/44/20/982824420.db2.gz NJHOBAUAYKLBMN-OVCLIPMQSA-N 1 0 234.274 2.353 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCC(=O)Nc1cccc(C#N)c1 ZINC001353300284 982826023 /nfs/dbraw/zinc/82/60/23/982826023.db2.gz MRCCRKVBNSVRDL-LLVKDONJSA-N 1 0 243.310 2.051 20 30 BEEDRO C=C(Cl)C[NH2+]C1([C@H]2CCCO2)CCC1 ZINC001198721036 982828353 /nfs/dbraw/zinc/82/83/53/982828353.db2.gz UTUKNAXWGWLQBD-SNVBAGLBSA-N 1 0 215.724 2.430 20 30 BEEDRO C=C(C)CC[NH2+]C1CCN(C(=O)CCC)CC1 ZINC001199084267 982888443 /nfs/dbraw/zinc/88/84/43/982888443.db2.gz MNHSCZLPEPGQMJ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C/C(C)=C\CC(=O)NC[C@H](C)[NH2+]CC(=C)C ZINC001480520122 982893438 /nfs/dbraw/zinc/89/34/38/982893438.db2.gz KDNCIDWLFCOACC-OTAKNEKHSA-N 1 0 236.359 2.179 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC001353605685 982921548 /nfs/dbraw/zinc/92/15/48/982921548.db2.gz MFZYOAYJBGVWBW-MELADBBJSA-N 1 0 225.376 2.421 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cc(C)ccc1O ZINC001353622206 982934379 /nfs/dbraw/zinc/93/43/79/982934379.db2.gz DWLSSIMUUXELIV-NSHDSACASA-N 1 0 248.326 2.323 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC001353640507 982951221 /nfs/dbraw/zinc/95/12/21/982951221.db2.gz DITSSFLNRZKLOQ-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC(=O)N1CCC([NH2+]CCCC)CC1 ZINC001199733720 983007530 /nfs/dbraw/zinc/00/75/30/983007530.db2.gz UDRXKDYBFKNELZ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CNC(NCC[C@@H]1C[C@H]1Cc1ccccc1)=[NH+]C ZINC001353987309 983110726 /nfs/dbraw/zinc/11/07/26/983110726.db2.gz HGPKLHVNISEKDP-ZIAGYGMSSA-N 1 0 245.370 2.050 20 30 BEEDRO Cc1ccnc(C#N)c1-c1ccc(C[NH3+])cc1 ZINC001241918195 983138653 /nfs/dbraw/zinc/13/86/53/983138653.db2.gz YIBOLKHFKLZDKJ-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1cc(C#N)c(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)nc1C ZINC001242020079 983227761 /nfs/dbraw/zinc/22/77/61/983227761.db2.gz KWSZFHSSZBYOHB-KGLIPLIRSA-N 1 0 239.322 2.478 20 30 BEEDRO Cc1ccc(C#N)nc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020584 983228930 /nfs/dbraw/zinc/22/89/30/983228930.db2.gz RBSAMWVAUALPAW-NEPJUHHUSA-N 1 0 225.295 2.169 20 30 BEEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001201482322 983284756 /nfs/dbraw/zinc/28/47/56/983284756.db2.gz IJTUNIDTNQIZET-GFCCVEGCSA-N 1 0 240.347 2.019 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000338330143 983317304 /nfs/dbraw/zinc/31/73/04/983317304.db2.gz MRRHAPFPBPUYIU-CYBMUJFWSA-N 1 0 242.322 2.274 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCC[C@H]2CCO)CC1 ZINC001354639771 983339293 /nfs/dbraw/zinc/33/92/93/983339293.db2.gz PGMUVSIQLONKGC-RUXDESIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001354842078 983375123 /nfs/dbraw/zinc/37/51/23/983375123.db2.gz RORZXXTZMMXXBH-QWRGUYRKSA-N 1 0 245.326 2.065 20 30 BEEDRO CSCCC[NH+]1CCC(S)CC1 ZINC001201692208 983438111 /nfs/dbraw/zinc/43/81/11/983438111.db2.gz KHESGRRQYNHHCE-UHFFFAOYSA-N 1 0 205.392 2.134 20 30 BEEDRO CSCCC[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001201692397 983439650 /nfs/dbraw/zinc/43/96/50/983439650.db2.gz YDQSKXMVVRBOSY-LLVKDONJSA-N 1 0 212.362 2.365 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001201761520 983465682 /nfs/dbraw/zinc/46/56/82/983465682.db2.gz HLQZEMVRYZPIGW-VXGBXAGGSA-N 1 0 217.328 2.362 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](O)[C@](C)(CO)C1 ZINC001201761878 983467228 /nfs/dbraw/zinc/46/72/28/983467228.db2.gz UCYVYOYVBRFPNX-KGLIPLIRSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCCC[NH+]1CC(C(=O)OC)C1 ZINC001201804137 983479077 /nfs/dbraw/zinc/47/90/77/983479077.db2.gz CQELKOQPZZSQSC-UHFFFAOYSA-N 1 0 227.348 2.452 20 30 BEEDRO CCCC[C@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001252089937 983480407 /nfs/dbraw/zinc/48/04/07/983480407.db2.gz UUMMKRMQEZEMHB-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCCCC[NH+]1CC(N(C)C(C)=O)C1 ZINC001201788170 983487070 /nfs/dbraw/zinc/48/70/70/983487070.db2.gz YZPVTVNBCSRGEY-UHFFFAOYSA-N 1 0 226.364 2.119 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](C)[NH2+]CCC ZINC001355585535 983521212 /nfs/dbraw/zinc/52/12/12/983521212.db2.gz FRGGXWGMTLUQFP-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@H](CC#N)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC001355601608 983529412 /nfs/dbraw/zinc/52/94/12/983529412.db2.gz ZHARIWRXZOFXEO-SNVBAGLBSA-N 1 0 245.326 2.369 20 30 BEEDRO N#Cc1ncccc1-c1cccc2c1C[NH2+]C2 ZINC001242312676 983545041 /nfs/dbraw/zinc/54/50/41/983545041.db2.gz UTYWDPCRIMKNMD-UHFFFAOYSA-N 1 0 221.263 2.223 20 30 BEEDRO CC1(C)CC(=O)C=C(c2cc(C[NH3+])ccn2)C1 ZINC001242313336 983545163 /nfs/dbraw/zinc/54/51/63/983545163.db2.gz AXPVMVFLSPYAMO-UHFFFAOYSA-N 1 0 230.311 2.313 20 30 BEEDRO N#Cc1ncccc1-c1cccc(CC[NH3+])c1 ZINC001242312456 983545881 /nfs/dbraw/zinc/54/58/81/983545881.db2.gz KFWYNDDKMMIRDU-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO CC1(C)CC(=O)C=C(c2cccc(C[NH3+])n2)C1 ZINC001242314997 983548090 /nfs/dbraw/zinc/54/80/90/983548090.db2.gz ZFZKMIDWLVESPJ-UHFFFAOYSA-N 1 0 230.311 2.313 20 30 BEEDRO C=CC[N@@H+](CC)CCCNC(=O)/C(C)=C/CC ZINC001490318455 983722335 /nfs/dbraw/zinc/72/23/35/983722335.db2.gz YBQUAVPNWMILPB-UKTHLTGXSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001490555207 983733187 /nfs/dbraw/zinc/73/31/87/983733187.db2.gz CYGQAYSOKKETPX-WTWVRAIASA-N 1 0 248.370 2.275 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CNC(=O)CCC)C1CC1 ZINC001490626542 983735536 /nfs/dbraw/zinc/73/55/36/983735536.db2.gz JPGFVVNXDXVIOI-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@](C)(O)CNc1[nH+]c(C)ccc1CC ZINC001252539472 983805279 /nfs/dbraw/zinc/80/52/79/983805279.db2.gz VFDPAEQRDHWLIO-CYBMUJFWSA-N 1 0 220.316 2.301 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccc(N(C)C)cc1 ZINC001252538099 983805527 /nfs/dbraw/zinc/80/55/27/983805527.db2.gz BINFGMOUHIRQKF-CYBMUJFWSA-N 1 0 220.316 2.102 20 30 BEEDRO Cc1cc(C#N)cc(-c2ccnc(C[NH3+])c2)c1 ZINC001242479514 983808507 /nfs/dbraw/zinc/80/85/07/983808507.db2.gz VXOHQYYBXJCDAF-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001252558799 983817961 /nfs/dbraw/zinc/81/79/61/983817961.db2.gz OBKPKGXSDAWCOY-SWLSCSKDSA-N 1 0 231.339 2.370 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC001358033846 983818197 /nfs/dbraw/zinc/81/81/97/983818197.db2.gz ZNJHMQQKTRIGFJ-NEPJUHHUSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1C ZINC001252572283 983828005 /nfs/dbraw/zinc/82/80/05/983828005.db2.gz PCWHEOPEXCIFLH-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001252574657 983829941 /nfs/dbraw/zinc/82/99/41/983829941.db2.gz BPXJTRPTRNUWGV-IUODEOHRSA-N 1 0 249.354 2.240 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC001252576921 983831775 /nfs/dbraw/zinc/83/17/75/983831775.db2.gz QIKMBFKEUDVOQK-VHSXEESVSA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cnc(Cl)c(C)c1 ZINC001252576467 983831856 /nfs/dbraw/zinc/83/18/56/983831856.db2.gz LFHREQHDSMBUIZ-LBPRGKRZSA-N 1 0 240.734 2.070 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC001252576731 983831937 /nfs/dbraw/zinc/83/19/37/983831937.db2.gz NKAQDWTYKLYKPB-LSDHHAIUSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc2ccccc2o1 ZINC001252577155 983832609 /nfs/dbraw/zinc/83/26/09/983832609.db2.gz VMCMQOOSXRFRSC-CQSZACIVSA-N 1 0 231.295 2.459 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001252576980 983832793 /nfs/dbraw/zinc/83/27/93/983832793.db2.gz ROCNKYKVVBLLFT-KGLIPLIRSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)c1ccccc1OC ZINC001252578010 983833330 /nfs/dbraw/zinc/83/33/30/983833330.db2.gz AQDZOPAHGYLMHQ-OAHLLOKOSA-N 1 0 249.354 2.457 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC001252582054 983834592 /nfs/dbraw/zinc/83/45/92/983834592.db2.gz NKWADKIAMYDTIU-UONOGXRCSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cc(C)c(OC)cc1C ZINC001252581780 983834649 /nfs/dbraw/zinc/83/46/49/983834649.db2.gz JOKSPDLYUSUKOF-OAHLLOKOSA-N 1 0 249.354 2.339 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC001252582865 983834891 /nfs/dbraw/zinc/83/48/91/983834891.db2.gz XZUFAULQOLIEEN-CYBMUJFWSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1cc(F)cc(F)c1 ZINC001252582866 983834941 /nfs/dbraw/zinc/83/49/41/983834941.db2.gz XZUFAULQOLIEEN-ZDUSSCGKSA-N 1 0 241.281 2.034 20 30 BEEDRO C=CCC[C@@H](O)CNc1cc(C)cc[nH+]1 ZINC001252586853 983837385 /nfs/dbraw/zinc/83/73/85/983837385.db2.gz MSKWOIIWILASDJ-LLVKDONJSA-N 1 0 206.289 2.129 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H](F)C1 ZINC001252593974 983842864 /nfs/dbraw/zinc/84/28/64/983842864.db2.gz PZGVYZZIWVGQMD-NEPJUHHUSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CC)c1ccncc1 ZINC001252616308 983850208 /nfs/dbraw/zinc/85/02/08/983850208.db2.gz NIOKEZJEENGBPR-UONOGXRCSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1sc(C)nc1C ZINC001252617589 983852905 /nfs/dbraw/zinc/85/29/05/983852905.db2.gz GLSZTOFGMDTTNP-NSHDSACASA-N 1 0 240.372 2.177 20 30 BEEDRO Cc1ccc(C#N)cc1-c1cccc(C[NH3+])n1 ZINC001242539442 983858689 /nfs/dbraw/zinc/85/86/89/983858689.db2.gz YZVODDXOQVYGFF-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1ccc(C#N)cc1-c1c[nH+]ccc1N ZINC001242542181 983860901 /nfs/dbraw/zinc/86/09/01/983860901.db2.gz YYJHGISWZVYOKQ-UHFFFAOYSA-N 1 0 209.252 2.341 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC001358506068 983880953 /nfs/dbraw/zinc/88/09/53/983880953.db2.gz NUDNZNILTTVBMX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1cc(Cl)cc(-c2cc(C[NH3+])ncn2)c1 ZINC001242568911 983887724 /nfs/dbraw/zinc/88/77/24/983887724.db2.gz WCMSCGVITKJFER-UHFFFAOYSA-N 1 0 244.685 2.127 20 30 BEEDRO C=CCN(CC[NH2+]CC)Cc1ccccc1 ZINC000200321237 983951344 /nfs/dbraw/zinc/95/13/44/983951344.db2.gz JFAAZNNXUNIMET-UHFFFAOYSA-N 1 0 218.344 2.284 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001571531426 984030860 /nfs/dbraw/zinc/03/08/60/984030860.db2.gz BUUCTVSVLFXOCT-OCCSQVGLSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001571531425 984031813 /nfs/dbraw/zinc/03/18/13/984031813.db2.gz BUUCTVSVLFXOCT-JSGCOSHPSA-N 1 0 248.370 2.157 20 30 BEEDRO Cc1cnc(C2=CC(=O)C[C@@H](C)C2)c(C[NH3+])c1 ZINC001242736242 984081198 /nfs/dbraw/zinc/08/11/98/984081198.db2.gz GPQSFQKHTRQKKP-VIFPVBQESA-N 1 0 230.311 2.231 20 30 BEEDRO C[C@@H]1CC(=O)C=C(c2[nH+]ccc3c2CCN3)C1 ZINC001242738164 984082996 /nfs/dbraw/zinc/08/29/96/984082996.db2.gz WBUYRBOLWYBDHO-VIFPVBQESA-N 1 0 228.295 2.432 20 30 BEEDRO C#CCCCC(=O)NC/C=C\C[NH2+]CC=C(C)C ZINC001273985175 984139552 /nfs/dbraw/zinc/13/95/52/984139552.db2.gz XVNZKFPZURWQNL-FPLPWBNLSA-N 1 0 248.370 2.018 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000717443047 984196540 /nfs/dbraw/zinc/19/65/40/984196540.db2.gz QKTLTVRHCCQGNT-BTTYYORXSA-N 1 0 235.371 2.436 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC001253566752 984233500 /nfs/dbraw/zinc/23/35/00/984233500.db2.gz FZRSXWIHIKFJQF-INIZCTEOSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@H](O)C[N@@H+](CC)Cc1ccccc1 ZINC001253566861 984233835 /nfs/dbraw/zinc/23/38/35/984233835.db2.gz HIJRVUCWFUVXHY-ZDUSSCGKSA-N 1 0 205.301 2.055 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc2[nH]c(C)cc2c1 ZINC001253567375 984238965 /nfs/dbraw/zinc/23/89/65/984238965.db2.gz NJAMNTXADHVBFR-CYBMUJFWSA-N 1 0 230.311 2.113 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ncc(C#N)nc2C)cc1 ZINC001242991066 984354657 /nfs/dbraw/zinc/35/46/57/984354657.db2.gz VTKIAHSSNPDLFE-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1ccc(-c2nc(C)cnc2C#N)cc1 ZINC001242992163 984355176 /nfs/dbraw/zinc/35/51/76/984355176.db2.gz RUGYLMRTSUUHIL-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1cccc(-c2nccc(F)c2C#N)c1 ZINC001242994637 984357659 /nfs/dbraw/zinc/35/76/59/984357659.db2.gz NJUXNHZLEQPILA-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)CCC(C)C ZINC001274671065 984359899 /nfs/dbraw/zinc/35/98/99/984359899.db2.gz MAUQBDGCOXNIRD-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CCC1CCCC1 ZINC001274664257 984360710 /nfs/dbraw/zinc/36/07/10/984360710.db2.gz BOTXXYZIFLYUDS-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cnc(F)c(C#N)c2)c1 ZINC001242995913 984362058 /nfs/dbraw/zinc/36/20/58/984362058.db2.gz PGNPYZJAXNHZJC-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cnc(C#N)c(F)c2)c1 ZINC001242997572 984363318 /nfs/dbraw/zinc/36/33/18/984363318.db2.gz VIEWQKZLQMXLLD-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)C[NH2+]C(C)C ZINC001274888671 984394748 /nfs/dbraw/zinc/39/47/48/984394748.db2.gz RCCHRMVRJHAWKR-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)C[NH2+]C(C)C ZINC001274888672 984395497 /nfs/dbraw/zinc/39/54/97/984395497.db2.gz RCCHRMVRJHAWKR-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC[NH+]1CC2(CCN2Cc2ccc[nH]2)C1 ZINC001274961889 984422268 /nfs/dbraw/zinc/42/22/68/984422268.db2.gz DNVFETUEVDJBGY-UHFFFAOYSA-N 1 0 245.370 2.241 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1(CC)CCC1 ZINC001275274871 984530397 /nfs/dbraw/zinc/53/03/97/984530397.db2.gz WODOVJPZZOWTGP-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001275415250 984556165 /nfs/dbraw/zinc/55/61/65/984556165.db2.gz OAUFBDTZHMIZDD-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1cc(C2=CC[NH2+]C2)nc2ccccc12 ZINC001243109783 984568340 /nfs/dbraw/zinc/56/83/40/984568340.db2.gz RNTITHKRCMSXRL-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]CC=C ZINC001275480522 984572017 /nfs/dbraw/zinc/57/20/17/984572017.db2.gz IJOAULGJTUVDSR-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@@H+](C)C[C@H](C)CC ZINC001275519839 984595145 /nfs/dbraw/zinc/59/51/45/984595145.db2.gz BUIGLHSALKKYLS-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CCC(F)F ZINC001275883171 984705685 /nfs/dbraw/zinc/70/56/85/984705685.db2.gz ZFVYMFJTKKLSGA-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO CC(C)(C)[NH2+]CCC(=O)Nc1ccccc1C#N ZINC000037632641 984819111 /nfs/dbraw/zinc/81/91/11/984819111.db2.gz LOMYQAPAWCEBCF-UHFFFAOYSA-N 1 0 245.326 2.275 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(CC)CC1)C2 ZINC001110983060 984950449 /nfs/dbraw/zinc/95/04/49/984950449.db2.gz DSKSXKDJESHSDL-UPJWGTAASA-N 1 0 248.370 2.084 20 30 BEEDRO CC1CC(C[NH2+]C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000691961366 984994508 /nfs/dbraw/zinc/99/45/08/984994508.db2.gz BPRQQIHNPMJRPR-ABIUDSBCSA-N 1 0 244.338 2.227 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]CC#Cc2ccccc2)[C@@H](C)O1 ZINC000686513751 985124796 /nfs/dbraw/zinc/12/47/96/985124796.db2.gz PQHGZSMCTAWXRX-FMKPAKJESA-N 1 0 243.350 2.441 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)[C@H](C)O1 ZINC000686513757 985126729 /nfs/dbraw/zinc/12/67/29/985126729.db2.gz PQHGZSMCTAWXRX-IJEWVQPXSA-N 1 0 243.350 2.441 20 30 BEEDRO COC(CC[NH2+][C@H](C)c1ccc(C#N)cc1)OC ZINC000686616054 985171370 /nfs/dbraw/zinc/17/13/70/985171370.db2.gz PIINUSIPVBOFRE-LLVKDONJSA-N 1 0 248.326 2.218 20 30 BEEDRO C#CCCCCC[N@@H+](CC)CC(=O)OCC ZINC000686676011 985198921 /nfs/dbraw/zinc/19/89/21/985198921.db2.gz MBOLMKKARGJMBZ-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C#CCCCCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000686682717 985202276 /nfs/dbraw/zinc/20/22/76/985202276.db2.gz BFKQBSQICGLIJJ-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO N#CCC1(C[NH2+]C2(CCO)CCCCC2)CC1 ZINC000687180744 985247346 /nfs/dbraw/zinc/24/73/46/985247346.db2.gz MPKYGAFPVDLTOB-UHFFFAOYSA-N 1 0 236.359 2.355 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCCSC2)CC1 ZINC001257681430 985269002 /nfs/dbraw/zinc/26/90/02/985269002.db2.gz PPNAVPQPXZHDJB-GFCCVEGCSA-N 1 0 209.358 2.227 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(c2cc(F)ccc2C#N)C1 ZINC001458168275 985270294 /nfs/dbraw/zinc/27/02/94/985270294.db2.gz XJNMDOXKDIJXHU-ZDUSSCGKSA-N 1 0 247.317 2.228 20 30 BEEDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1C#N ZINC001458229258 985273210 /nfs/dbraw/zinc/27/32/10/985273210.db2.gz OWJNPJNAZWHRCU-AAEUAGOBSA-N 1 0 244.342 2.156 20 30 BEEDRO CCCCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000687238583 985276031 /nfs/dbraw/zinc/27/60/31/985276031.db2.gz XHXFQCLJXODQAC-BETUJISGSA-N 1 0 238.375 2.310 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1(C(C)C)CC1 ZINC000687539080 985307500 /nfs/dbraw/zinc/30/75/00/985307500.db2.gz FJWXKUXOJCULMU-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@@H]1COC[C@H]1N ZINC001258038933 985310206 /nfs/dbraw/zinc/31/02/06/985310206.db2.gz HHRVLKZGIJSURJ-JHJVBQTASA-N 1 0 228.380 2.051 20 30 BEEDRO N#C[C@H]1CC=C(c2cccc(C[NH3+])n2)CC1 ZINC001243788346 985342478 /nfs/dbraw/zinc/34/24/78/985342478.db2.gz BKJHYNVRKAPRDY-JTQLQIEISA-N 1 0 213.284 2.247 20 30 BEEDRO N#Cc1cc(C#N)cc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243895507 985580924 /nfs/dbraw/zinc/58/09/24/985580924.db2.gz FFSJCFMKBCKDGU-OWOJBTEDSA-N 1 0 237.306 2.443 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2COC3(CCC3)C2)CCCC1 ZINC000688299636 985607088 /nfs/dbraw/zinc/60/70/88/985607088.db2.gz DTYCNGXMWCMSSV-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CO1 ZINC000688459199 985646212 /nfs/dbraw/zinc/64/62/12/985646212.db2.gz WXPGVXMNBQKFOX-STQMWFEESA-N 1 0 248.301 2.354 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](C)[C@H](O)C1 ZINC001459875266 985650060 /nfs/dbraw/zinc/65/00/60/985650060.db2.gz RRGDEDYEVMYGPF-UONOGXRCSA-N 1 0 223.360 2.273 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CO1 ZINC000688524170 985665391 /nfs/dbraw/zinc/66/53/91/985665391.db2.gz ORHMQNDTGONSFL-UONOGXRCSA-N 1 0 230.311 2.215 20 30 BEEDRO ON=Cc1ccccc1C1=C[NH2+]CCC1 ZINC001243953912 985666639 /nfs/dbraw/zinc/66/66/39/985666639.db2.gz OIHCIKSOWSEZPP-UHFFFAOYSA-N 1 0 202.257 2.219 20 30 BEEDRO CCCCCCCCC[C@@H](C)[NH2+]C[C@@H](O)CO ZINC001258230392 985681670 /nfs/dbraw/zinc/68/16/70/985681670.db2.gz UNIBJLWANTVTSU-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO C=CCOCCC[NH2+]Cc1nc(C)c(C)s1 ZINC000691846743 985703242 /nfs/dbraw/zinc/70/32/42/985703242.db2.gz BFMIZVYYWJCVTE-UHFFFAOYSA-N 1 0 240.372 2.442 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCO[C@@H]1CC1(F)F ZINC000689066884 985798189 /nfs/dbraw/zinc/79/81/89/985798189.db2.gz NTBAKEVVVILTAF-LLVKDONJSA-N 1 0 246.301 2.282 20 30 BEEDRO C#CC1CC[NH+](CC2(O)CCCCCC2)CC1 ZINC001460293722 985829813 /nfs/dbraw/zinc/82/98/13/985829813.db2.gz YCHCUFFIQCYHMD-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO N#Cc1cccc([C@H](O)C[NH+](C2CC2)C2CC2)c1 ZINC001460472534 985853333 /nfs/dbraw/zinc/85/33/33/985853333.db2.gz UYINLEUMOQWBAQ-OAHLLOKOSA-N 1 0 242.322 2.218 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCCC[C@@H]2O)C1 ZINC001460523875 985856661 /nfs/dbraw/zinc/85/66/61/985856661.db2.gz RVNQTOOUWLBMBJ-RDBSUJKOSA-N 1 0 223.360 2.436 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001460855891 985916007 /nfs/dbraw/zinc/91/60/07/985916007.db2.gz HOZAYLYQHLAVRJ-OLZOCXBDSA-N 1 0 229.327 2.068 20 30 BEEDRO C[C@@H]1CN(Cc2ccc(Cl)cc2C#N)CC[NH2+]1 ZINC001579440677 985922635 /nfs/dbraw/zinc/92/26/35/985922635.db2.gz PAZIAXMAOVYKLJ-SNVBAGLBSA-N 1 0 249.745 2.005 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1ncccc1C ZINC001460941749 985959480 /nfs/dbraw/zinc/95/94/80/985959480.db2.gz XSPVXMVOTBEJGK-QWHCGFSZSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2ccc(C)cn2)CC1 ZINC001461161108 986014424 /nfs/dbraw/zinc/01/44/24/986014424.db2.gz QRLTVRAGOAHIAE-UHFFFAOYSA-N 1 0 245.370 2.130 20 30 BEEDRO C=CC[C@H]([NH2+]Cc1ccnn1C)c1ccncc1 ZINC001461221147 986027948 /nfs/dbraw/zinc/02/79/48/986027948.db2.gz WKQLUAQDDLXEHV-AWEZNQCLSA-N 1 0 242.326 2.222 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cnccn1 ZINC001258719363 986046295 /nfs/dbraw/zinc/04/62/95/986046295.db2.gz BXCNGDXXUAVYHV-WDEREUQCSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)c1cccc(O)c1 ZINC001258719979 986047319 /nfs/dbraw/zinc/04/73/19/986047319.db2.gz NZVVWXQZMLFSPF-FZMZJTMJSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCC[C@@H](F)C1 ZINC001258720674 986052064 /nfs/dbraw/zinc/05/20/64/986052064.db2.gz DDBBQVBBXKCMNT-CHWSQXEVSA-N 1 0 228.355 2.365 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cn(CC)cn1 ZINC001258724045 986060115 /nfs/dbraw/zinc/06/01/15/986060115.db2.gz LSVCTOLHVZUANP-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H](OC)[C@@H](F)C1 ZINC001258724585 986060293 /nfs/dbraw/zinc/06/02/93/986060293.db2.gz AIQOXGIEVBEDPE-GARJFASQSA-N 1 0 201.285 2.010 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cncnc1C ZINC001258724405 986060916 /nfs/dbraw/zinc/06/09/16/986060916.db2.gz VYCPUCJLJCUVGG-SNVBAGLBSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001258724850 986062834 /nfs/dbraw/zinc/06/28/34/986062834.db2.gz FJQLDMMRUKFLHH-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001258726496 986068058 /nfs/dbraw/zinc/06/80/58/986068058.db2.gz SSBGTWCKODVSJR-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001258726497 986069309 /nfs/dbraw/zinc/06/93/09/986069309.db2.gz SSBGTWCKODVSJR-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCC(n2cnnc2)CC1 ZINC001258732944 986080268 /nfs/dbraw/zinc/08/02/68/986080268.db2.gz SCDMJNMOZTWUDU-LBPRGKRZSA-N 1 0 234.347 2.270 20 30 BEEDRO C=C[C@H](O)CNc1cc[nH+]c(C(C)(C)C)c1 ZINC001253573742 986109031 /nfs/dbraw/zinc/10/90/31/986109031.db2.gz RNBOAAVSELQARI-NSHDSACASA-N 1 0 220.316 2.338 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC001461727630 986122596 /nfs/dbraw/zinc/12/25/96/986122596.db2.gz DELBKOANKVUGSG-ILXRZTDVSA-N 1 0 235.371 2.343 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC001461727634 986125869 /nfs/dbraw/zinc/12/58/69/986125869.db2.gz DELBKOANKVUGSG-KKUMJFAQSA-N 1 0 235.371 2.343 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2)C1 ZINC001253578558 986125520 /nfs/dbraw/zinc/12/55/20/986125520.db2.gz DHNNZGOGOZWOPL-ZFWWWQNUSA-N 1 0 247.338 2.077 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCN(CCC)CC1 ZINC001258767103 986148481 /nfs/dbraw/zinc/14/84/81/986148481.db2.gz PYRFYLPTUXZLRR-CQSZACIVSA-N 1 0 222.376 2.252 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1C ZINC001253597843 986219349 /nfs/dbraw/zinc/21/93/49/986219349.db2.gz KCPAJOPICPURPA-GFCCVEGCSA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1ccc(F)cc1 ZINC001253597560 986221262 /nfs/dbraw/zinc/22/12/62/986221262.db2.gz FYTDGQVQTAYDOG-QWHCGFSZSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC001253597380 986223384 /nfs/dbraw/zinc/22/33/84/986223384.db2.gz DZXYNRSVICQKLF-WRHSUISWSA-N 1 0 235.371 2.339 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CC)c1ccc(F)cc1 ZINC001253597554 986224727 /nfs/dbraw/zinc/22/47/27/986224727.db2.gz FYTDGQVQTAYDOG-OLZOCXBDSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC001253598334 986230800 /nfs/dbraw/zinc/23/08/00/986230800.db2.gz RUHPUWODBCXUPZ-ZDUSSCGKSA-N 1 0 235.327 2.110 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(Cl)nc(Cl)c1 ZINC001253601686 986249032 /nfs/dbraw/zinc/24/90/32/986249032.db2.gz UWRBYYKVNDOGGN-QMMMGPOBSA-N 1 0 247.125 2.025 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCSCc1ccccc1 ZINC001253603219 986256741 /nfs/dbraw/zinc/25/67/41/986256741.db2.gz SUKOORWPXGMHMO-CYBMUJFWSA-N 1 0 237.368 2.056 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1cccc(F)c1 ZINC001253604915 986263704 /nfs/dbraw/zinc/26/37/04/986263704.db2.gz NAJBIYYKPXUCKU-GFCCVEGCSA-N 1 0 223.291 2.197 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccc(C)cc2)CC1 ZINC001253607214 986264404 /nfs/dbraw/zinc/26/44/04/986264404.db2.gz SMEHCOADYJTJTC-HNNXBMFYSA-N 1 0 245.366 2.454 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(F)ccc1N(C)C ZINC001462025339 986266674 /nfs/dbraw/zinc/26/66/74/986266674.db2.gz ZQRVZZVOACBYQH-UHFFFAOYSA-N 1 0 234.318 2.395 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001253609436 986275643 /nfs/dbraw/zinc/27/56/43/986275643.db2.gz SDRJQMRSHREROP-UONOGXRCSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC001253609872 986278282 /nfs/dbraw/zinc/27/82/82/986278282.db2.gz ZYWMWULYEDWDPR-ZIAGYGMSSA-N 1 0 235.302 2.413 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)C(=O)NO ZINC001258817364 986278448 /nfs/dbraw/zinc/27/84/48/986278448.db2.gz SJHMFYNPXZQSBK-RHYQMDGZSA-N 1 0 242.363 2.075 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@@H]1CCC[C@H](C)C1)C(=O)NO ZINC001258817365 986279798 /nfs/dbraw/zinc/27/97/98/986279798.db2.gz SJHMFYNPXZQSBK-YFKTTZPYSA-N 1 0 242.363 2.075 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1CCc2ccccc2CC1 ZINC001253611410 986286928 /nfs/dbraw/zinc/28/69/28/986286928.db2.gz PEJGUTSRDOOVII-OAHLLOKOSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC001253611683 986287874 /nfs/dbraw/zinc/28/78/74/986287874.db2.gz SLXVEFZQPFEERB-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO CN1CCC[C@@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC001462133692 986291965 /nfs/dbraw/zinc/29/19/65/986291965.db2.gz BBFSMMSXGSTKGK-JXQTWKCFSA-N 1 0 235.375 2.000 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@]1(C)CCCCO1)C(C)C ZINC001462211295 986312483 /nfs/dbraw/zinc/31/24/83/986312483.db2.gz ODBPGHMXBSRBPG-OLZOCXBDSA-N 1 0 209.333 2.193 20 30 BEEDRO C/C=C(\NC=[NH2+])c1ccc(OC)c(C#N)c1 ZINC001244706755 986315305 /nfs/dbraw/zinc/31/53/05/986315305.db2.gz TTWOJSAUQXBMTP-JYOAFUTRSA-N 1 0 215.256 2.124 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC001019787329 986325055 /nfs/dbraw/zinc/32/50/55/986325055.db2.gz JFHXZIOQCZIMGV-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C1CC(C(=O)OC)C1 ZINC001462275170 986336616 /nfs/dbraw/zinc/33/66/16/986336616.db2.gz GOSIXVWRFXBTTP-UHFFFAOYSA-N 1 0 225.332 2.130 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccnc(C#N)c2)c1F ZINC001244859114 986405247 /nfs/dbraw/zinc/40/52/47/986405247.db2.gz MEECWCGJUYEXHO-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO N#CCN(C[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC001580052477 986482310 /nfs/dbraw/zinc/48/23/10/986482310.db2.gz MSRVVWXKOFYOEW-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C[C@H](CCC1CC1)[NH2+]CC1(C#N)CCOCC1 ZINC001462657259 986487929 /nfs/dbraw/zinc/48/79/29/986487929.db2.gz YLYSWJCBAXPUFM-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001096716737 986489213 /nfs/dbraw/zinc/48/92/13/986489213.db2.gz QUSRSHLNNSGLND-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO N#Cc1c(F)cccc1N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001580057225 986494275 /nfs/dbraw/zinc/49/42/75/986494275.db2.gz QBMLNVWMUVJUIR-JCOFBHIZSA-N 1 0 231.274 2.002 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC[C@H](C)SC1 ZINC000689434797 986603415 /nfs/dbraw/zinc/60/34/15/986603415.db2.gz MKRFNAUAWXCAHR-QWRGUYRKSA-N 1 0 229.414 2.227 20 30 BEEDRO C[C@@H](C#N)OCCNc1cccc(C[NH+](C)C)c1 ZINC000689457467 986614977 /nfs/dbraw/zinc/61/49/77/986614977.db2.gz DRBDEGSCCYBKHM-LBPRGKRZSA-N 1 0 247.342 2.089 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC)C1 ZINC001097809286 986662534 /nfs/dbraw/zinc/66/25/34/986662534.db2.gz JKUWLBVPTBJKNJ-UPJWGTAASA-N 1 0 248.370 2.084 20 30 BEEDRO N#C[C@@H]1CC[C@@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001254641645 986692345 /nfs/dbraw/zinc/69/23/45/986692345.db2.gz CMZWMTORCKDUIW-ZYHUDNBSSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2CCC(O)CC2)C1 ZINC001254650123 986702234 /nfs/dbraw/zinc/70/22/34/986702234.db2.gz SXHZHBXEEFRELC-QPPOZKHWSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001254655661 986710392 /nfs/dbraw/zinc/71/03/92/986710392.db2.gz FGSFZKQPSUITCB-VXGBXAGGSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@@H]1CC[C@@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001254654766 986710442 /nfs/dbraw/zinc/71/04/42/986710442.db2.gz AFFOVUCBYALJJN-MWLCHTKSSA-N 1 0 233.290 2.389 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC001254668210 986716322 /nfs/dbraw/zinc/71/63/22/986716322.db2.gz GPBGPSYLPQRBOK-KGLIPLIRSA-N 1 0 229.327 2.248 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001254670732 986719324 /nfs/dbraw/zinc/71/93/24/986719324.db2.gz LYYLRPKXBYIOIW-HTVCTNPSSA-N 1 0 229.327 2.445 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254668596 986719427 /nfs/dbraw/zinc/71/94/27/986719427.db2.gz GWPZZNYMIPTYAA-XQQFMLRXSA-N 1 0 222.332 2.035 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+]2CCc3cccc(O)c3C2)C1 ZINC001254674169 986720886 /nfs/dbraw/zinc/72/08/86/986720886.db2.gz VALCCIPWEOHBSW-WCQYABFASA-N 1 0 242.322 2.443 20 30 BEEDRO CC(C)[N@@H+]1CCN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC001254674869 986724250 /nfs/dbraw/zinc/72/42/50/986724250.db2.gz ABQFZNKKCQCWAG-MELADBBJSA-N 1 0 235.375 2.093 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254957065 986762447 /nfs/dbraw/zinc/76/24/47/986762447.db2.gz RPMPVWDXGKREAZ-ITGUQSILSA-N 1 0 246.354 2.370 20 30 BEEDRO COc1cc(C#N)cc(Nc2cc[nH+]c(N)c2)c1 ZINC001206578212 986773813 /nfs/dbraw/zinc/77/38/13/986773813.db2.gz KODODZWFRHIVQP-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2[nH]c(C)cc2C)C1 ZINC001137329672 986785747 /nfs/dbraw/zinc/78/57/47/986785747.db2.gz JOOMVLSJEKYLIU-CYBMUJFWSA-N 1 0 216.328 2.477 20 30 BEEDRO CN(C)c1cc[nH+]c(NC(=O)CC(C)(C)C#N)c1 ZINC001466378141 986790676 /nfs/dbraw/zinc/79/06/76/986790676.db2.gz IZQKGYOWRMOOAD-UHFFFAOYSA-N 1 0 246.314 2.026 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1(C2CCOCC2)CC1 ZINC001255156962 986829119 /nfs/dbraw/zinc/82/91/19/986829119.db2.gz VHYFYLLSSFUDQG-LBPRGKRZSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H](CC#N)NCc1ccc(C)n1C ZINC001255154724 986830207 /nfs/dbraw/zinc/83/02/07/986830207.db2.gz GJKOSOZSJNVDOC-NSHDSACASA-N 1 0 205.305 2.115 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(c2ccccn2)CC1 ZINC001255157637 986830268 /nfs/dbraw/zinc/83/02/68/986830268.db2.gz STSJARJRGHOCSP-GFCCVEGCSA-N 1 0 229.327 2.395 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](C(=O)OC)CC1 ZINC001255156963 986830693 /nfs/dbraw/zinc/83/06/93/986830693.db2.gz VIATWTHPWDEIEW-IJLUTSLNSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1ccc(OC)cc1 ZINC001255156468 986830725 /nfs/dbraw/zinc/83/07/25/986830725.db2.gz JWJRXYXZZZZIJQ-TZMCWYRMSA-N 1 0 248.326 2.010 20 30 BEEDRO SC1CC[NH+](Cc2c[nH]c3ncccc23)CC1 ZINC001137403163 986879848 /nfs/dbraw/zinc/87/98/48/986879848.db2.gz BOQKWBOCLRRDHW-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C[N@@H+]1CC[C@@H](N(CCC#N)Cc2ccccc2)C1 ZINC001255432305 986950283 /nfs/dbraw/zinc/95/02/83/986950283.db2.gz PMIALWSQVAAFFG-OAHLLOKOSA-N 1 0 243.354 2.106 20 30 BEEDRO N#CCc1cc(-c2ccncc2C[NH3+])ccc1F ZINC001245558835 986950565 /nfs/dbraw/zinc/95/05/65/986950565.db2.gz ZMQLPEHTHLWKKR-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO N#CCc1ccc(F)c(-c2ccncc2C[NH3+])c1 ZINC001245562607 986959198 /nfs/dbraw/zinc/95/91/98/986959198.db2.gz JCQFRLHUNNQNJA-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C[N@@H+]1CCC[C@H](N(CCC#N)C2CCCC2)C1 ZINC001255485590 986985047 /nfs/dbraw/zinc/98/50/47/986985047.db2.gz FNKFOKQORHIGTK-AWEZNQCLSA-N 1 0 235.375 2.239 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001255560808 987016519 /nfs/dbraw/zinc/01/65/19/987016519.db2.gz JJDNBFLYUKESQC-QMTHXVAHSA-N 1 0 230.311 2.170 20 30 BEEDRO N#Cc1cccc(-c2ccc3c[nH+]cn3c2)n1 ZINC001245895058 987106942 /nfs/dbraw/zinc/10/69/42/987106942.db2.gz OWQRNMBFIREOFJ-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[C@H](C)CC)C1 ZINC001491068153 987111749 /nfs/dbraw/zinc/11/17/49/987111749.db2.gz YKSFAJWXFJSZGD-LPWJVIDDSA-N 1 0 238.375 2.091 20 30 BEEDRO N#Cc1cnc(-c2ccc3c[nH+]cn3c2)c(C#N)c1 ZINC001245896297 987116732 /nfs/dbraw/zinc/11/67/32/987116732.db2.gz PCBWXBGMZFGFQU-UHFFFAOYSA-N 1 0 245.245 2.140 20 30 BEEDRO N#Cc1cc(-c2ccc3c[nH+]cn3c2)cnc1F ZINC001245896315 987123577 /nfs/dbraw/zinc/12/35/77/987123577.db2.gz PBZBXZIIPALJDT-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)/C(C)=C/CC ZINC001495631113 987130167 /nfs/dbraw/zinc/13/01/67/987130167.db2.gz WRGBSGBZSAWCLS-GKWYLQRDSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)F ZINC001491376534 987133981 /nfs/dbraw/zinc/13/39/81/987133981.db2.gz HTFUWDULVDTLEJ-QWRGUYRKSA-N 1 0 244.354 2.184 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CC1CCCC1 ZINC001491380978 987135798 /nfs/dbraw/zinc/13/57/98/987135798.db2.gz CZOCCYZDRLJVQO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2cnc(C#N)cn2)cc1 ZINC001245908224 987137864 /nfs/dbraw/zinc/13/78/64/987137864.db2.gz KAHCTXQEZNGPCQ-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO CC(C)([NH3+])c1ccc(-c2cnc(C#N)nc2)cc1 ZINC001245912005 987140597 /nfs/dbraw/zinc/14/05/97/987140597.db2.gz HYIAHOXUPLGSLM-UHFFFAOYSA-N 1 0 238.294 2.209 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC)C1 ZINC001102626318 987216260 /nfs/dbraw/zinc/21/62/60/987216260.db2.gz YXGMTIHINDONSV-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)ncc1C#N ZINC001472686491 987269614 /nfs/dbraw/zinc/26/96/14/987269614.db2.gz RJEQIBZLWVGWJA-ZDUSSCGKSA-N 1 0 244.342 2.014 20 30 BEEDRO C=CCCCCCC[C@@H](O)CN(C)C[C@H](C)[NH3+] ZINC001246058298 987347949 /nfs/dbraw/zinc/34/79/49/987347949.db2.gz JKIAJFYEAXYBBU-UONOGXRCSA-N 1 0 242.407 2.153 20 30 BEEDRO CCCCCCCC[C@H](O)CN(C)C[C@H](C)[NH3+] ZINC001246061629 987352494 /nfs/dbraw/zinc/35/24/94/987352494.db2.gz ZLYSAZOTEBKNKB-KBPBESRZSA-N 1 0 244.423 2.377 20 30 BEEDRO CCCCCCCC[C@H](O)CN1CC[C@H]([NH3+])C1 ZINC001246070910 987356257 /nfs/dbraw/zinc/35/62/57/987356257.db2.gz OVKGSXSRDBZCMU-KBPBESRZSA-N 1 0 242.407 2.131 20 30 BEEDRO CCCCCCCC[C@H](O)CN1CC[C@H]1[NH2+]C ZINC001246071092 987357706 /nfs/dbraw/zinc/35/77/06/987357706.db2.gz REEXZUBXAANPGW-KBPBESRZSA-N 1 0 242.407 2.349 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)c1cccc(C#N)c1)C1CC1 ZINC001473306859 987393922 /nfs/dbraw/zinc/39/39/22/987393922.db2.gz YVAXMBHAHLYBEB-HNNXBMFYSA-N 1 0 242.322 2.242 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3CCCNC3)C[C@H](C1)C2 ZINC001246120670 987469553 /nfs/dbraw/zinc/46/95/53/987469553.db2.gz PRFCCSBZJCXYDD-MBOZISHXSA-N 1 0 234.387 2.463 20 30 BEEDRO C#CC[N@@H+](CCCCC=C)C1CSC1 ZINC001473629591 987507529 /nfs/dbraw/zinc/50/75/29/987507529.db2.gz GMWZTDMKQAECTL-UHFFFAOYSA-N 1 0 209.358 2.393 20 30 BEEDRO CC(C)(N[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC001246178341 987546695 /nfs/dbraw/zinc/54/66/95/987546695.db2.gz MFQBGMVHTXFXFV-CQSZACIVSA-N 1 0 243.354 2.135 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21 ZINC001116401335 987549599 /nfs/dbraw/zinc/54/95/99/987549599.db2.gz HQUYSTVUSYAAJS-OAHLLOKOSA-N 1 0 247.313 2.395 20 30 BEEDRO C#CC[N@@H+](Cc1cnc2ccccn12)CC1CC1 ZINC001116447392 987580433 /nfs/dbraw/zinc/58/04/33/987580433.db2.gz GZAWGTFWUPWVPG-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1CCOCCOCC ZINC001473857254 987586124 /nfs/dbraw/zinc/58/61/24/987586124.db2.gz KPYCIGFSWUSLCL-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC001474006159 987628912 /nfs/dbraw/zinc/62/89/12/987628912.db2.gz LZFBWNUZRXLRRW-GFCCVEGCSA-N 1 0 246.358 2.131 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc(C)ccc2O)C1 ZINC001116575763 987634051 /nfs/dbraw/zinc/63/40/51/987634051.db2.gz JHDDNJHYOKWAQL-AWEZNQCLSA-N 1 0 247.338 2.478 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]Cc1cccc(CC)c1 ZINC001474254290 987667757 /nfs/dbraw/zinc/66/77/57/987667757.db2.gz ZSLKKGFHOQUFFK-HNNXBMFYSA-N 1 0 231.339 2.113 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1COCCN1 ZINC001246281621 987676097 /nfs/dbraw/zinc/67/60/97/987676097.db2.gz XCRPVKVSZNISSV-KGLIPLIRSA-N 1 0 242.407 2.313 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnccn2)C1 ZINC001474297503 987679369 /nfs/dbraw/zinc/67/93/69/987679369.db2.gz AIXKAUFRFCKYIX-NEPJUHHUSA-N 1 0 217.316 2.311 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CNCCC1=O ZINC001246297439 987691162 /nfs/dbraw/zinc/69/11/62/987691162.db2.gz ZVMSPKPIWMEDQR-QWHCGFSZSA-N 1 0 240.391 2.256 20 30 BEEDRO C#CC[N@@H+](CCC(C)(C)OC)CC1CC1 ZINC001116743356 987692198 /nfs/dbraw/zinc/69/21/98/987692198.db2.gz JNVVZGPMWNWEMO-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO CC[NH+]1CCC(CN(CC#N)C2CCCC2)CC1 ZINC001474360401 987701126 /nfs/dbraw/zinc/70/11/26/987701126.db2.gz ORIAIKKJDNXHFF-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[C@@H](N[C@@H]1CCC[NH2+]C1)c1cccc(C#N)c1 ZINC001246312897 987715246 /nfs/dbraw/zinc/71/52/46/987715246.db2.gz DEWVTRNRSWXNIV-HUUCEWRRSA-N 1 0 243.354 2.351 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)CSCCF ZINC001474408841 987716740 /nfs/dbraw/zinc/71/67/40/987716740.db2.gz WATPNWMRFSUQFT-JTQLQIEISA-N 1 0 203.326 2.081 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246334451 987741099 /nfs/dbraw/zinc/74/10/99/987741099.db2.gz CYVWWJYYHPBQPN-CMPLNLGQSA-N 1 0 222.307 2.414 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246334888 987741911 /nfs/dbraw/zinc/74/19/11/987741911.db2.gz FTTCCOGWIRDHJX-JQWIXIFHSA-N 1 0 222.307 2.414 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC001474529845 987748460 /nfs/dbraw/zinc/74/84/60/987748460.db2.gz TXUAQIUAQFJIDR-QNSTZXKLSA-N 1 0 221.344 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC001474529844 987750016 /nfs/dbraw/zinc/75/00/16/987750016.db2.gz TXUAQIUAQFJIDR-HPCHECBXSA-N 1 0 221.344 2.498 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246465332 987823880 /nfs/dbraw/zinc/82/38/80/987823880.db2.gz VXVCCDNWSJXYQC-JHJVBQTASA-N 1 0 223.364 2.045 20 30 BEEDRO N#Cc1cc(CN[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC001246469778 987827796 /nfs/dbraw/zinc/82/77/96/987827796.db2.gz KSMOXSPECUADNC-GFCCVEGCSA-N 1 0 249.745 2.053 20 30 BEEDRO N#Cc1cc(CN[C@H]2CCC[NH2+]C2)ccc1Cl ZINC001246469784 987829341 /nfs/dbraw/zinc/82/93/41/987829341.db2.gz KSMOXSPECUADNC-LBPRGKRZSA-N 1 0 249.745 2.053 20 30 BEEDRO C=C[C@@H](NC1CC[NH2+]CC1)c1ccccc1 ZINC001246486751 987845003 /nfs/dbraw/zinc/84/50/03/987845003.db2.gz FCZRWQZPCJVPJX-CQSZACIVSA-N 1 0 216.328 2.255 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+]3C[C@@H](F)[C@@H](N)C3)C[C@H](C1)C2 ZINC001246528721 987883631 /nfs/dbraw/zinc/88/36/31/987883631.db2.gz HCTLVUSRQYERNA-YJBUHQLJSA-N 1 0 238.350 2.102 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC)C1 ZINC001479274840 987895180 /nfs/dbraw/zinc/89/51/80/987895180.db2.gz ODQSEJOETWTMRA-BETUJISGSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCCCCC[C@H](C)N1C[C@H]([NH3+])C[C@H](O)C1 ZINC001246538637 987896801 /nfs/dbraw/zinc/89/68/01/987896801.db2.gz IKKROQPKLMRMHA-MJBXVCDLSA-N 1 0 242.407 2.129 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)/C=C(/C)C1CC1 ZINC001321468660 987917925 /nfs/dbraw/zinc/91/79/25/987917925.db2.gz FADRIHJDOLJLDF-SEVUFMINSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)[C@]1(C)C=CCC1)C1CC1 ZINC001480039590 987940695 /nfs/dbraw/zinc/94/06/95/987940695.db2.gz FNUNEPUVBLHILR-DZGCQCFKSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC(C)C)C1 ZINC001480103904 987942326 /nfs/dbraw/zinc/94/23/26/987942326.db2.gz ORNMFQYJYGPDOV-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](CC)c1ccncc1 ZINC001117831365 987945136 /nfs/dbraw/zinc/94/51/36/987945136.db2.gz MTZLGGCPHQUYOY-QWHCGFSZSA-N 1 0 220.316 2.323 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C2CC=CC2)C1 ZINC001480130338 987946326 /nfs/dbraw/zinc/94/63/26/987946326.db2.gz ALCKOTZPUPRYKC-HDJSIYSDSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001480107725 987946833 /nfs/dbraw/zinc/94/68/33/987946833.db2.gz KOFJPYBSZCBVHO-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#CCN(CC1CC1)[C@@H](C)c1ncc(C)o1 ZINC001117932692 987951750 /nfs/dbraw/zinc/95/17/50/987951750.db2.gz VDCYBOUVSQIWGK-NSHDSACASA-N 1 0 218.300 2.389 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001480218666 987955229 /nfs/dbraw/zinc/95/52/29/987955229.db2.gz SEBDRRPZKIFWOP-GUTXKFCHSA-N 1 0 248.370 2.156 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001117933568 987957197 /nfs/dbraw/zinc/95/71/97/987957197.db2.gz MJVWBQZFXSNWOQ-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001117933570 987958636 /nfs/dbraw/zinc/95/86/36/987958636.db2.gz MJVWBQZFXSNWOQ-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001480221791 987959508 /nfs/dbraw/zinc/95/95/08/987959508.db2.gz HMJDCAGHQHSMNJ-MBNYWOFBSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001480221792 987960635 /nfs/dbraw/zinc/96/06/35/987960635.db2.gz HMJDCAGHQHSMNJ-SCRDCRAPSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@@H]1C[NH2+]CC=C ZINC001480338212 987967448 /nfs/dbraw/zinc/96/74/48/987967448.db2.gz GFXPUEBUOGJZAO-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)CCC1CCCC1 ZINC001480419175 987971646 /nfs/dbraw/zinc/97/16/46/987971646.db2.gz WAZAGFIWVGKETO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)CC(C)C ZINC001480416602 987971667 /nfs/dbraw/zinc/97/16/67/987971667.db2.gz OKXNWZGSCVRSJX-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCCC(=O)NC[C@H](C)[NH2+]C/C=C/Cl ZINC001480526342 987991575 /nfs/dbraw/zinc/99/15/75/987991575.db2.gz DCWFETSEXMKNBQ-IOCXFXADSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]CCC(C)C ZINC001480518660 987996472 /nfs/dbraw/zinc/99/64/72/987996472.db2.gz PNHNACDBFRCXRR-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)CC1CCCCC1 ZINC001321780107 988003510 /nfs/dbraw/zinc/00/35/10/988003510.db2.gz TVBSIXSMMDVEHC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1cc(C)ccc1C ZINC001480579083 988006634 /nfs/dbraw/zinc/00/66/34/988006634.db2.gz IABAWUGGRNAJQC-ZDUSSCGKSA-N 1 0 246.354 2.197 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H]1CCCNC(=O)CC ZINC001480816126 988035493 /nfs/dbraw/zinc/03/54/93/988035493.db2.gz SBEDTPBPVYOXKN-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)C1(C)CCC1 ZINC001321949187 988057433 /nfs/dbraw/zinc/05/74/33/988057433.db2.gz GNGOZLVMSLIWQC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001493180603 988062902 /nfs/dbraw/zinc/06/29/02/988062902.db2.gz YWUDBNIYNCLCHK-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC(C)C)C1 ZINC001493174993 988068577 /nfs/dbraw/zinc/06/85/77/988068577.db2.gz URDCCXKXVJOSLD-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](CNC(C)=O)C1 ZINC001493167025 988071023 /nfs/dbraw/zinc/07/10/23/988071023.db2.gz COLDOWFVHUWHHJ-CQSZACIVSA-N 1 0 240.391 2.415 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)c1ccc(CC)cc1 ZINC001322062597 988093627 /nfs/dbraw/zinc/09/36/27/988093627.db2.gz ALVOKOYVIXUCBJ-LBPRGKRZSA-N 1 0 246.354 2.143 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@H]1CCC[C@@H]1C ZINC001493555893 988098822 /nfs/dbraw/zinc/09/88/22/988098822.db2.gz RGTXOESTHORTEN-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[N@@H+](C)CC(C)C ZINC001322167558 988150227 /nfs/dbraw/zinc/15/02/27/988150227.db2.gz CNRVYFGETHHSQO-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1C ZINC001322223824 988155883 /nfs/dbraw/zinc/15/58/83/988155883.db2.gz NNFXMORSZPFFHR-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H](C)CC)C1 ZINC001494823479 988188929 /nfs/dbraw/zinc/18/89/29/988188929.db2.gz WUNFHPQHWRVPJJ-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1(CC)CC1 ZINC001495049196 988208899 /nfs/dbraw/zinc/20/88/99/988208899.db2.gz IAINJFKVGXNZLF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246605781 988212896 /nfs/dbraw/zinc/21/28/96/988212896.db2.gz CYYPFMILZMEVAQ-KBPBESRZSA-N 1 0 235.375 2.287 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C)C(C)C ZINC001495068692 988215241 /nfs/dbraw/zinc/21/52/41/988215241.db2.gz IMRXUGVLXKZZIE-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCCC[NH2+][C@@H](CC)CNC(=O)C(C)(C)C ZINC001495098211 988217289 /nfs/dbraw/zinc/21/72/89/988217289.db2.gz YQVIEGYMBZXZKN-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)c1ccoc1 ZINC001495545471 988227568 /nfs/dbraw/zinc/22/75/68/988227568.db2.gz YODWLPTVCYKYDM-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)CCC(C)C ZINC001495618328 988235321 /nfs/dbraw/zinc/23/53/21/988235321.db2.gz KRSCSIATVIIUOI-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)CC ZINC001496001643 988270242 /nfs/dbraw/zinc/27/02/42/988270242.db2.gz ISNVDLRBFZANQR-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H](C)CCC ZINC001496017899 988270268 /nfs/dbraw/zinc/27/02/68/988270268.db2.gz QHWKKMPBFDQOLI-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]C[C@H](C)CC ZINC001496018605 988274753 /nfs/dbraw/zinc/27/47/53/988274753.db2.gz VNIXBMYSUNYSAM-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C1(C)CCC1 ZINC001496133003 988290997 /nfs/dbraw/zinc/29/09/97/988290997.db2.gz SCBKCHSJVWAKJI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)C1(C)CC1)C(C)C ZINC001496555217 988304268 /nfs/dbraw/zinc/30/42/68/988304268.db2.gz CFGASVOSLBOZAX-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)CC(C)C ZINC001497781657 988412733 /nfs/dbraw/zinc/41/27/33/988412733.db2.gz HVCRBPPAHVFCSU-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC001322862176 988392173 /nfs/dbraw/zinc/39/21/73/988392173.db2.gz OURIRUUVBVRSKJ-GFCCVEGCSA-N 1 0 239.322 2.376 20 30 BEEDRO C=C1CC(C)(C(=O)NC/C=C/C[NH2+]CC2CC2)C1 ZINC001497672848 988406431 /nfs/dbraw/zinc/40/64/31/988406431.db2.gz JVZRHFNFSINIRZ-ONEGZZNKSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)C=C(C)C ZINC001497786355 988416590 /nfs/dbraw/zinc/41/65/90/988416590.db2.gz BNXCXQPWWOKSLV-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](NC(=O)C1=CCCC1)C1CC1 ZINC001322985704 988423648 /nfs/dbraw/zinc/42/36/48/988423648.db2.gz JLEICCYMRMYTHI-CQSZACIVSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]C(C)C ZINC001497905948 988430344 /nfs/dbraw/zinc/43/03/44/988430344.db2.gz UITDKBHIKNRQPC-YPMHNXCESA-N 1 0 226.364 2.091 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCNC[C@H]1CO ZINC001246703852 988441399 /nfs/dbraw/zinc/44/13/99/988441399.db2.gz WGWPMWJBKUXAIX-KGLIPLIRSA-N 1 0 242.407 2.002 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)C1CC=CC1 ZINC001498025881 988443835 /nfs/dbraw/zinc/44/38/35/988443835.db2.gz PTXJBUXYWPSPFF-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C[C@H](C)CCC ZINC001498021815 988445030 /nfs/dbraw/zinc/44/50/30/988445030.db2.gz RDOSICPMGMBBBL-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)C)C1CC1 ZINC001323100429 988449861 /nfs/dbraw/zinc/44/98/61/988449861.db2.gz PSFXTEPQYUPDKO-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@@H]1C[C@@H](N(CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767336 988455581 /nfs/dbraw/zinc/45/55/81/988455581.db2.gz BWBHJHMUNLRKHA-OCCSQVGLSA-N 1 0 235.375 2.285 20 30 BEEDRO C[C@H]1C[C@@H](N(CCC#N)C2CCCC2)CC[NH2+]1 ZINC001246767335 988456695 /nfs/dbraw/zinc/45/66/95/988456695.db2.gz BWBHJHMUNLRKHA-JSGCOSHPSA-N 1 0 235.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001498229973 988468032 /nfs/dbraw/zinc/46/80/32/988468032.db2.gz YKKPHBFEKMWAKU-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)CC1CCCC1 ZINC001498214441 988469587 /nfs/dbraw/zinc/46/95/87/988469587.db2.gz GLQKCGGHUKCBTB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1cccnc1NCC[NH2+]C1CCCCC1 ZINC001323204179 988471462 /nfs/dbraw/zinc/47/14/62/988471462.db2.gz AXSCJAZYRGNOAC-UHFFFAOYSA-N 1 0 244.342 2.287 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)C(=C)C ZINC001498354818 988478668 /nfs/dbraw/zinc/47/86/68/988478668.db2.gz DXHLFCSFVGYDST-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)C1CC1 ZINC001498506010 988489206 /nfs/dbraw/zinc/48/92/06/988489206.db2.gz XLGQFQYUIXUZSD-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)c2ccccc2)CC1 ZINC001323383602 988511438 /nfs/dbraw/zinc/51/14/38/988511438.db2.gz RUHZCFAOSCKVEJ-UHFFFAOYSA-N 1 0 244.338 2.115 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC1([NH2+]CCC)CC1 ZINC001499310404 988547569 /nfs/dbraw/zinc/54/75/69/988547569.db2.gz LRHXEUBKBGNQDT-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@@H](C)C1 ZINC001499813101 988559099 /nfs/dbraw/zinc/55/90/99/988559099.db2.gz HOUUOMNFISKDHI-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)CC ZINC001499889253 988563403 /nfs/dbraw/zinc/56/34/03/988563403.db2.gz SRXZMTMIWRMKKW-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)N(CC)[C@H]1CCC[NH2+]C1 ZINC001246853214 988568192 /nfs/dbraw/zinc/56/81/92/988568192.db2.gz IPFGUZKMMIMUJQ-OLZOCXBDSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC001323727054 988599064 /nfs/dbraw/zinc/59/90/64/988599064.db2.gz FEVNMZFHZGTYDN-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCCCN(C)[C@H]1CCCC[NH2+]C1 ZINC001246871980 988638602 /nfs/dbraw/zinc/63/86/02/988638602.db2.gz SKGCJEWTROPRGD-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001501527583 988608244 /nfs/dbraw/zinc/60/82/44/988608244.db2.gz HTUFHLBBFLFUNA-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)CCCF ZINC001502363980 988641071 /nfs/dbraw/zinc/64/10/71/988641071.db2.gz WUJIGCISXKGBPU-UHFFFAOYSA-N 1 0 244.354 2.093 20 30 BEEDRO C=C/C(C)=C/CC(=O)NCC[C@H](C)[NH2+]CC#CC ZINC001503421957 988661967 /nfs/dbraw/zinc/66/19/67/988661967.db2.gz PRKHJVRMHIJQGP-CZAWJFPGSA-N 1 0 248.370 2.017 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC001324022268 988668397 /nfs/dbraw/zinc/66/83/97/988668397.db2.gz PYDNSLWINQABTG-RISCZKNCSA-N 1 0 230.311 2.410 20 30 BEEDRO C=C1C[C@@H]2CC(N3CC[C@H]3[NH2+]C)C[C@H](C1)C2 ZINC001246901281 988676068 /nfs/dbraw/zinc/67/60/68/988676068.db2.gz XAUZBHBQMLTOJC-PIGZVRMJSA-N 1 0 220.360 2.373 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]C(C)C)C[C@H]1C ZINC001324053257 988680566 /nfs/dbraw/zinc/68/05/66/988680566.db2.gz VBOGVWBBTZPVGJ-CHWSQXEVSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC ZINC001505443554 988683698 /nfs/dbraw/zinc/68/36/98/988683698.db2.gz MDOWOYCEZSEONG-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](C)CCC(=C)C ZINC001505885209 988731031 /nfs/dbraw/zinc/73/10/31/988731031.db2.gz WRGYSMRVXXXMOB-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](F)CC ZINC001505978243 988747701 /nfs/dbraw/zinc/74/77/01/988747701.db2.gz AAXYBDKTZMJCDS-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO CC#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC001505984502 988747727 /nfs/dbraw/zinc/74/77/27/988747727.db2.gz WVBKJNJKPBGCRM-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C1(C)CC1 ZINC001505925138 988755859 /nfs/dbraw/zinc/75/58/59/988755859.db2.gz UEGJAOORLOHWOT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)C(F)F ZINC001506531931 988784264 /nfs/dbraw/zinc/78/42/64/988784264.db2.gz QWIWKJREJRGDAR-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC001506896631 988796410 /nfs/dbraw/zinc/79/64/10/988796410.db2.gz QVJWORGYEJEAKQ-OBJOEFQTSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]C(C)C)C1 ZINC001506893917 988798154 /nfs/dbraw/zinc/79/81/54/988798154.db2.gz KGYMJZMPTKSNLL-HAQNSBGRSA-N 1 0 238.375 2.091 20 30 BEEDRO C[C@@H]1C[N@H+](C2CCC(CC#N)CC2)C[C@H](C)N1 ZINC001246971030 988801543 /nfs/dbraw/zinc/80/15/43/988801543.db2.gz YPIXBEBXHFGFQD-VTXSZYRJSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCCCC(=O)NC1(C)CC[NH+](CC)CC1 ZINC001324329629 988801858 /nfs/dbraw/zinc/80/18/58/988801858.db2.gz TWSBVXPKWFKZQG-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc[nH]1 ZINC001507047283 988808702 /nfs/dbraw/zinc/80/87/02/988808702.db2.gz UAXXKJWTGIYXCN-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C1=CCCC1 ZINC001507063056 988813549 /nfs/dbraw/zinc/81/35/49/988813549.db2.gz UJGQNLUQJIHQBR-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1C[C@@H]1C ZINC001507112479 988816019 /nfs/dbraw/zinc/81/60/19/988816019.db2.gz UFRSDJSIWCVCNP-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](CCOCCC(C)C)CC1CC1 ZINC001324382118 988822359 /nfs/dbraw/zinc/82/23/59/988822359.db2.gz ZPXVFODRBCWJFQ-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)[C@H]1C ZINC001507267869 988833933 /nfs/dbraw/zinc/83/39/33/988833933.db2.gz CUIWKEBTZSSFIP-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)[C@@H]1C ZINC001507267867 988834013 /nfs/dbraw/zinc/83/40/13/988834013.db2.gz CUIWKEBTZSSFIP-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C=C(/C)CC)C1 ZINC001507311919 988837857 /nfs/dbraw/zinc/83/78/57/988837857.db2.gz BHTYFDUNPUQRMT-FUTHCOOYSA-N 1 0 236.359 2.108 20 30 BEEDRO C[C@H](CCCC#N)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247012515 988841733 /nfs/dbraw/zinc/84/17/33/988841733.db2.gz DWBDFJJRCJUPQU-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CCCC#N)N1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001247012518 988841841 /nfs/dbraw/zinc/84/18/41/988841841.db2.gz DWBDFJJRCJUPQU-MCIONIFRSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)/C(C)=C\C)C(C)(C)C ZINC001507907376 988848296 /nfs/dbraw/zinc/84/82/96/988848296.db2.gz NAYCPEKXYMEZPE-KGTBHZDVSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCCC(=O)N(C)C1CC([NH2+]CC=C)C1 ZINC001508135571 988850608 /nfs/dbraw/zinc/85/06/08/988850608.db2.gz RAIVAWVLDLPQAA-UHFFFAOYSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC001119254103 988864107 /nfs/dbraw/zinc/86/41/07/988864107.db2.gz SZCOHOGLVSLJNU-CHWSQXEVSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H](C)CCC ZINC001119306474 988920223 /nfs/dbraw/zinc/92/02/23/988920223.db2.gz FCZVQCUYCIGPHU-ONGXEEELSA-N 1 0 246.782 2.399 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001119309521 988922287 /nfs/dbraw/zinc/92/22/87/988922287.db2.gz YHIOGZMLTDGKOH-STQMWFEESA-N 1 0 239.359 2.078 20 30 BEEDRO C#CC[N@@H+](CC[C@@H](O)c1ccccc1)CC1CC1 ZINC001119309573 988922953 /nfs/dbraw/zinc/92/29/53/988922953.db2.gz YMXMHIKIEHZBJZ-MRXNPFEDSA-N 1 0 243.350 2.455 20 30 BEEDRO C=CCCC[C@H](NC(=O)C[NH2+]C)c1ccccc1 ZINC001119316116 988937213 /nfs/dbraw/zinc/93/72/13/988937213.db2.gz CEZSZRKWVQBCAX-AWEZNQCLSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CC[C@H](C)OC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001119354907 989000400 /nfs/dbraw/zinc/00/04/00/989000400.db2.gz NQNKDMFTWSLWFL-UTUOFQBUSA-N 1 0 225.332 2.367 20 30 BEEDRO COCc1cc(C#N)ccc1NCCC[NH+](C)C ZINC001515298833 989020655 /nfs/dbraw/zinc/02/06/55/989020655.db2.gz GESKNQXCNHPADX-UHFFFAOYSA-N 1 0 247.342 2.068 20 30 BEEDRO C=C[C@H](COC)[NH2+]CCCc1ccc(C)nc1 ZINC001324975124 989041376 /nfs/dbraw/zinc/04/13/76/989041376.db2.gz HNNJZQRHRPAKGI-CQSZACIVSA-N 1 0 234.343 2.113 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCC=C(C)C ZINC001119450303 989083017 /nfs/dbraw/zinc/08/30/17/989083017.db2.gz OLQLBXMARNAZRI-STQMWFEESA-N 1 0 209.333 2.095 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(C)cc1OC ZINC001325117150 989087006 /nfs/dbraw/zinc/08/70/06/989087006.db2.gz HODFJXJBPLBRSO-CYBMUJFWSA-N 1 0 235.327 2.294 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@@H]1CC[C@H](C#N)C1 ZINC001325179857 989097264 /nfs/dbraw/zinc/09/72/64/989097264.db2.gz CCYPELCBGZMIHP-QWHCGFSZSA-N 1 0 202.301 2.024 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCC1CCCC1 ZINC001119515805 989120512 /nfs/dbraw/zinc/12/05/12/989120512.db2.gz 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MNYZCTOLCBQTPC-MOKVOYLWSA-N 1 0 239.359 2.219 20 30 BEEDRO CC(C)C[N@H+](C)Cc1cnn2ccc(C#N)cc12 ZINC001249082404 989248239 /nfs/dbraw/zinc/24/82/39/989248239.db2.gz RHEUHIOAFQOQKD-UHFFFAOYSA-N 1 0 242.326 2.294 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CC2CCC1CC2 ZINC001119632406 989266554 /nfs/dbraw/zinc/26/65/54/989266554.db2.gz TYWAXRZZMZSKNX-TYUFSLCMSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)CCN1C ZINC001119691724 989338439 /nfs/dbraw/zinc/33/84/39/989338439.db2.gz PDPWAMNQENGPLK-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1ccc(C#N)cc1 ZINC001249706592 989345092 /nfs/dbraw/zinc/34/50/92/989345092.db2.gz OWNFGFUGOVMPFO-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C#C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCCO1 ZINC001119744134 989381950 /nfs/dbraw/zinc/38/19/50/989381950.db2.gz UAWROVJLYBDABE-NEXFUWMNSA-N 1 0 246.354 2.087 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NCC[C@@H](C)[NH2+]C ZINC001326133388 989384737 /nfs/dbraw/zinc/38/47/37/989384737.db2.gz 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245.351 2.241 20 30 BEEDRO C[NH2+]C(C)(C)CNc1cc(C)cc(F)c1C#N ZINC001119948420 989498660 /nfs/dbraw/zinc/49/86/60/989498660.db2.gz MMACVTMKWDZLKR-UHFFFAOYSA-N 1 0 235.306 2.416 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC001119954616 989504902 /nfs/dbraw/zinc/50/49/02/989504902.db2.gz NMQFPYJMECLMOM-GFCCVEGCSA-N 1 0 248.351 2.397 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CCCC(F)(F)F ZINC001119976813 989533058 /nfs/dbraw/zinc/53/30/58/989533058.db2.gz HMHPLULVVGOSKX-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CC[C@H](NC(C)=O)CC1 ZINC001326490073 989581348 /nfs/dbraw/zinc/58/13/48/989581348.db2.gz MRQTUDXYMGYZFR-HDJSIYSDSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC(F)(F)F)C1CCOCC1 ZINC001120059365 989583622 /nfs/dbraw/zinc/58/36/22/989583622.db2.gz MGDSUOANGQTGQB-LLVKDONJSA-N 1 0 249.276 2.347 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(F)(F)F)C1CCOCC1 ZINC001120059366 989584424 /nfs/dbraw/zinc/58/44/24/989584424.db2.gz MGDSUOANGQTGQB-NSHDSACASA-N 1 0 249.276 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244.338 2.256 20 30 BEEDRO C=C[C@H](C)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC001120491906 989672382 /nfs/dbraw/zinc/67/23/82/989672382.db2.gz FNUXGLQFBLUZEX-LBPRGKRZSA-N 1 0 232.327 2.204 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001521534186 989733087 /nfs/dbraw/zinc/73/30/87/989733087.db2.gz SOIHQVBGURCOSF-STQMWFEESA-N 1 0 238.375 2.176 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC001521527732 989735197 /nfs/dbraw/zinc/73/51/97/989735197.db2.gz RWTZNWGOLIDEER-JHJVBQTASA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC001120573288 989744488 /nfs/dbraw/zinc/74/44/88/989744488.db2.gz NSCWWYDXWIIAFA-ZDUSSCGKSA-N 1 0 205.301 2.194 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCCc2cccnc21 ZINC001326995529 989800975 /nfs/dbraw/zinc/80/09/75/989800975.db2.gz DPMSDGYOZUVGJZ-QWHCGFSZSA-N 1 0 232.327 2.250 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC001120685521 989830318 /nfs/dbraw/zinc/83/03/18/989830318.db2.gz 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ZINC001121881950 990107680 /nfs/dbraw/zinc/10/76/80/990107680.db2.gz UEFHTMILTHFCBO-YPMHNXCESA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)CC1 ZINC001121953336 990156027 /nfs/dbraw/zinc/15/60/27/990156027.db2.gz CCBLJBDXFJUSBV-ZDUSSCGKSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC1(C(C)C)CC1 ZINC001121966767 990161439 /nfs/dbraw/zinc/16/14/39/990161439.db2.gz SEKXMZXZOFEHNJ-LBPRGKRZSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)CC2CCCC2)CC1 ZINC001526630265 990163451 /nfs/dbraw/zinc/16/34/51/990163451.db2.gz NRNXKIXNJVLGCI-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C1=CCC[NH2+]CC1 ZINC001122078326 990225877 /nfs/dbraw/zinc/22/58/77/990225877.db2.gz XSYZVUUKZCXTEC-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO CCCCCCCCC(=O)NOC[C@H](C)[NH3+] ZINC001122099566 990238596 /nfs/dbraw/zinc/23/85/96/990238596.db2.gz LWMQZXMEEMHTLH-NSHDSACASA-N 1 0 230.352 2.132 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001122164698 990274658 /nfs/dbraw/zinc/27/46/58/990274658.db2.gz QBUVYILZFOFVMC-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC001122164696 990274778 /nfs/dbraw/zinc/27/47/78/990274778.db2.gz QBUVYILZFOFVMC-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC)C(=O)N[C@@H](C)CC[NH+](CC)CC ZINC001529420514 990350523 /nfs/dbraw/zinc/35/05/23/990350523.db2.gz PYSPZGHXCFJWHO-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CCCCCCCC(=O)N(C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001122479779 990396864 /nfs/dbraw/zinc/39/68/64/990396864.db2.gz XNRAJJRAGBDMOX-IMRBUKKESA-N 1 0 238.375 2.023 20 30 BEEDRO CC[C@@H](C#N)OC(=O)c1ccc2c[nH+]cn2c1C ZINC001122722105 990438143 /nfs/dbraw/zinc/43/81/43/990438143.db2.gz UUEYITUCYAXFRK-NSHDSACASA-N 1 0 243.266 2.102 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CCC(C)C ZINC001123228942 990531818 /nfs/dbraw/zinc/53/18/18/990531818.db2.gz YUAKIMQPGWEIJR-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C[C@H]1C=CCC1 ZINC001123327668 990547183 /nfs/dbraw/zinc/54/71/83/990547183.db2.gz UKHCPKJPAYYPRK-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C#CCCCC(=O)O[C@@H](C)CC[NH+]1CCCC1 ZINC001123365205 990560674 /nfs/dbraw/zinc/56/06/74/990560674.db2.gz ARWVFXAYRKNTPF-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC001540129963 990592090 /nfs/dbraw/zinc/59/20/90/990592090.db2.gz OOLVDMGKPOJTCM-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC(C)C)C(=O)NCCC[NH+]1CCCC1 ZINC001123581411 990618674 /nfs/dbraw/zinc/61/86/74/990618674.db2.gz SGLMGJQQTLDKQI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Oc1ccc(OCC)cc1 ZINC001540439195 990621575 /nfs/dbraw/zinc/62/15/75/990621575.db2.gz MSHOJMQBKLWPLS-UHFFFAOYSA-N 1 0 249.310 2.109 20 30 BEEDRO C=C(CC)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001123630785 990631897 /nfs/dbraw/zinc/63/18/97/990631897.db2.gz MKCLMDBPGPKDCW-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](C)CC 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991574695 /nfs/dbraw/zinc/57/46/95/991574695.db2.gz HBWCXBNCNPZXRV-VIFPVBQESA-N 1 0 201.260 2.423 20 30 BEEDRO C=CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=C)C ZINC001317730862 991578033 /nfs/dbraw/zinc/57/80/33/991578033.db2.gz YDZNJHSHDPDVMH-OKILXGFUSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccncc1O ZINC001140276393 991584827 /nfs/dbraw/zinc/58/48/27/991584827.db2.gz CARHUMNEHSZMMB-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001560817761 991612196 /nfs/dbraw/zinc/61/21/96/991612196.db2.gz BYLUMGJTEAJACH-MOENNCHZSA-N 1 0 237.343 2.108 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1C[NH+](C(C)C)C1 ZINC001318146942 991628108 /nfs/dbraw/zinc/62/81/08/991628108.db2.gz VRNYCWFLQNKKSI-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3n[nH]cc3c2)C1 ZINC001140385922 991631090 /nfs/dbraw/zinc/63/10/90/991631090.db2.gz IVODZKXVNSVDQE-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001318272962 991641716 /nfs/dbraw/zinc/64/17/16/991641716.db2.gz IAILMGMQEXZKLE-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ncc(F)cn1 ZINC001258716847 991642656 /nfs/dbraw/zinc/64/26/56/991642656.db2.gz GOEHHNFWMRTYPI-SECBINFHSA-N 1 0 209.268 2.060 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1cncnc1 ZINC001258718141 991645117 /nfs/dbraw/zinc/64/51/17/991645117.db2.gz HVTGEXLUKQRURI-WDEREUQCSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC001258717126 991645456 /nfs/dbraw/zinc/64/54/56/991645456.db2.gz IMFPOEABSICMJQ-NSHDSACASA-N 1 0 232.327 2.230 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C(=C)C ZINC001258718165 991645816 /nfs/dbraw/zinc/64/58/16/991645816.db2.gz IHUDWKGGETYGTA-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCn1nnc2ccccc21 ZINC001258719544 991648232 /nfs/dbraw/zinc/64/82/32/991648232.db2.gz GTHMFGMPEOCYRT-GFCCVEGCSA-N 1 0 244.342 2.376 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCOC[C@@H]1F ZINC001258719819 991648256 /nfs/dbraw/zinc/64/82/56/991648256.db2.gz KODJVZFKVKNXJD-DCAQKATOSA-N 1 0 201.285 2.058 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](C(=O)OCC)C1 ZINC001258719572 991648894 /nfs/dbraw/zinc/64/88/94/991648894.db2.gz HIJQEFDSCNIJMV-SDDRHHMPSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1(c2cccnn2)CC1 ZINC001258719658 991649175 /nfs/dbraw/zinc/64/91/75/991649175.db2.gz IABMRYDSINTJQG-LLVKDONJSA-N 1 0 217.316 2.410 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](C(=O)OCC)C1 ZINC001258719573 991650046 /nfs/dbraw/zinc/65/00/46/991650046.db2.gz HIJQEFDSCNIJMV-UTUOFQBUSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCC[C@H](C)n1nnc2ccc(C[NH3+])cc21 ZINC001258721764 991652750 /nfs/dbraw/zinc/65/27/50/991652750.db2.gz FGBWTMCVLTYWTR-JTQLQIEISA-N 1 0 230.315 2.417 20 30 BEEDRO C=CCC[C@@H](C)n1cc2c(n1)CC[C@@H]([NH3+])C2 ZINC001258720257 991653365 /nfs/dbraw/zinc/65/33/65/991653365.db2.gz WBAXVGAGTCZVRY-ZYHUDNBSSA-N 1 0 219.332 2.226 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)C(=O)OCC ZINC001258720818 991653475 /nfs/dbraw/zinc/65/34/75/991653475.db2.gz GSHOPNCPTYFJFA-WDEREUQCSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(=O)c1ccc(O)c(O)c1 ZINC001258723305 991655115 /nfs/dbraw/zinc/65/51/15/991655115.db2.gz YUTWBHGVIBUCMA-JTQLQIEISA-N 1 0 249.310 2.225 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1c2ccccc2CNC1=O ZINC001258722438 991655388 /nfs/dbraw/zinc/65/53/88/991655388.db2.gz OOEGEDSHPQOTHX-FZMZJTMJSA-N 1 0 244.338 2.302 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccn(CCF)n1 ZINC001258723540 991660334 /nfs/dbraw/zinc/66/03/34/991660334.db2.gz XKJGFBRFSZJLDT-LLVKDONJSA-N 1 0 225.311 2.297 20 30 BEEDRO C=CCCC(=O)N(CC)[C@H]1CC[N@H+](CC=C)C1 ZINC001318459902 991662615 /nfs/dbraw/zinc/66/26/15/991662615.db2.gz WEQAMHWKPFDUNU-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO CC1CC[NH+](Cc2ccc(C#N)nc2)CC1 ZINC001140540958 991664921 /nfs/dbraw/zinc/66/49/21/991664921.db2.gz TVCJSDCBQKZGAV-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CC)CNC(=O)CC ZINC001318491729 991664983 /nfs/dbraw/zinc/66/49/83/991664983.db2.gz KSPIGGNWCOOKCK-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)nc2)C1 ZINC001140540648 991666114 /nfs/dbraw/zinc/66/61/14/991666114.db2.gz GEMPPADGXPLBMD-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCCC2(COC2)C1 ZINC001258727664 991668299 /nfs/dbraw/zinc/66/82/99/991668299.db2.gz IGKIEWRFOXULDP-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)CCC1OCCO1 ZINC001258733016 991677856 /nfs/dbraw/zinc/67/78/56/991677856.db2.gz TWCTXXVZXXROSL-NSHDSACASA-N 1 0 213.321 2.036 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001258731227 991671430 /nfs/dbraw/zinc/67/14/30/991671430.db2.gz BOMXXNCVZRMDIX-XQQFMLRXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC2(C1)CCCOC2 ZINC001258729800 991671613 /nfs/dbraw/zinc/67/16/13/991671613.db2.gz XRZKCYVQLFISAS-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001258731226 991672978 /nfs/dbraw/zinc/67/29/78/991672978.db2.gz BOMXXNCVZRMDIX-RWMBFGLXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001258732781 991674977 /nfs/dbraw/zinc/67/49/77/991674977.db2.gz PXZWPMFTTREHLW-UPJWGTAASA-N 1 0 208.349 2.120 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCc2cnn(C)c2C1 ZINC001258732710 991677603 /nfs/dbraw/zinc/67/76/03/991677603.db2.gz PGVWAKKWAUXFHY-LLVKDONJSA-N 1 0 219.332 2.133 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](CCC(=O)OC)C1CC1 ZINC001258734226 991680191 /nfs/dbraw/zinc/68/01/91/991680191.db2.gz VKEQHIZTPKDAQL-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC(N2CCCC2)C1 ZINC001258734607 991680874 /nfs/dbraw/zinc/68/08/74/991680874.db2.gz GPIRKSMIYQHYIE-GFCCVEGCSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](CC)[C@@H](C)C(=O)OC ZINC001258735738 991683627 /nfs/dbraw/zinc/68/36/27/991683627.db2.gz AOXVQJDXHVDSFX-QWRGUYRKSA-N 1 0 213.321 2.225 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001258735760 991683893 /nfs/dbraw/zinc/68/38/93/991683893.db2.gz BDIHIZZXCDNWCP-VXGBXAGGSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001258735701 991684470 /nfs/dbraw/zinc/68/44/70/991684470.db2.gz ZJWJCLHFBYBPBU-SDDRHHMPSA-N 1 0 207.317 2.252 20 30 BEEDRO C=CCC[C@H](C)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001258735450 991685726 /nfs/dbraw/zinc/68/57/26/991685726.db2.gz UVRDINSBTURQQH-RYUDHWBXSA-N 1 0 246.358 2.314 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001258736679 991687080 /nfs/dbraw/zinc/68/70/80/991687080.db2.gz YKLCCZJKPAFQLJ-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC(=O)N2CCC[C@H]2C1 ZINC001258736677 991688948 /nfs/dbraw/zinc/68/89/48/991688948.db2.gz YKLCCZJKPAFQLJ-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)Cc1cncnc1 ZINC001258736217 991690683 /nfs/dbraw/zinc/69/06/83/991690683.db2.gz OLWZHNWYVQEPCJ-LLVKDONJSA-N 1 0 205.305 2.263 20 30 BEEDRO C=CC[NH2+]C[C@@](C)(NC(=O)C1=CCCC1)C1CC1 ZINC001318691270 991699388 /nfs/dbraw/zinc/69/93/88/991699388.db2.gz VPKDGFZJBAOWFR-OAHLLOKOSA-N 1 0 248.370 2.157 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)CCOCC1 ZINC001561044472 991700276 /nfs/dbraw/zinc/70/02/76/991700276.db2.gz DCBBSCPJKXVZBG-RWMBFGLXSA-N 1 0 234.343 2.085 20 30 BEEDRO CCC[NH+]1CCC(NCc2cc(C#N)co2)CC1 ZINC001258771088 991731018 /nfs/dbraw/zinc/73/10/18/991731018.db2.gz UKXYBVXSSWIXBZ-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCN(CCC)CC1 ZINC001258767102 991731189 /nfs/dbraw/zinc/73/11/89/991731189.db2.gz PYRFYLPTUXZLRR-AWEZNQCLSA-N 1 0 222.376 2.252 20 30 BEEDRO CCCCN(CC#N)C1CC[NH+](CCC)CC1 ZINC001258776087 991735713 /nfs/dbraw/zinc/73/57/13/991735713.db2.gz SJIYCACQGVPTBJ-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO CCC[NH+]1CCC(N(CC)CCC#N)CC1 ZINC001258773742 991741555 /nfs/dbraw/zinc/74/15/55/991741555.db2.gz AKRSQFUYAFUUOK-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)CC(C)(C)C ZINC001568258038 991742207 /nfs/dbraw/zinc/74/22/07/991742207.db2.gz UHKODCKWINTIFO-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO CCC[NH+]1CCC(N2CC[C@@](C)(C#N)C2)CC1 ZINC001258776653 991744778 /nfs/dbraw/zinc/74/47/78/991744778.db2.gz FFYMMTDMOFWQNZ-AWEZNQCLSA-N 1 0 235.375 2.096 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(C#N)nc1 ZINC001319014370 991765776 /nfs/dbraw/zinc/76/57/76/991765776.db2.gz QUNIGTMMRDOMEE-KGLIPLIRSA-N 1 0 244.342 2.238 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCNc1ncccc1C#N ZINC001319060373 991775857 /nfs/dbraw/zinc/77/58/57/991775857.db2.gz DBXZPJSDVXTOQP-YPMHNXCESA-N 1 0 244.342 2.143 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1C[C@@H](CNC(C)=O)C1 ZINC001565834808 991812681 /nfs/dbraw/zinc/81/26/81/991812681.db2.gz BERMMAKNXHJHKR-OKILXGFUSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCCCN(C(C)=O)C1 ZINC001566064086 991824907 /nfs/dbraw/zinc/82/49/07/991824907.db2.gz DLLBOIVQUHYBAN-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(F)F ZINC001319412778 991861774 /nfs/dbraw/zinc/86/17/74/991861774.db2.gz RNLRMUXRLZYWSZ-UWVGGRQHSA-N 1 0 248.317 2.043 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC(=C)C)C1 ZINC001566671934 991866159 /nfs/dbraw/zinc/86/61/59/991866159.db2.gz KGRDFNCVTPECNC-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CCC ZINC001319436493 991866776 /nfs/dbraw/zinc/86/67/76/991866776.db2.gz JRQGLPBHJNDGKL-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1c[nH]c(Nc2ccc([N+](=O)[O-])cc2C#N)[nH+]1 ZINC001319491229 991878862 /nfs/dbraw/zinc/87/88/62/991878862.db2.gz TYXXQCFSAXUZAQ-UHFFFAOYSA-N 1 0 243.226 2.242 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)[C@H](C)C[NH2+]C(C)C ZINC001319514218 991881879 /nfs/dbraw/zinc/88/18/79/991881879.db2.gz IXTREMGPLBZKGP-OLZOCXBDSA-N 1 0 240.391 2.434 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1ccccc1OC ZINC001258895789 991891182 /nfs/dbraw/zinc/89/11/82/991891182.db2.gz WCMFIFNYLDTXDV-AWEZNQCLSA-N 1 0 241.334 2.195 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)/C(C)=C/CC ZINC001567001529 991903565 /nfs/dbraw/zinc/90/35/65/991903565.db2.gz BENRJHJKLLPARA-BWODNOAJSA-N 1 0 238.375 2.403 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc2c(c1)CCC2 ZINC001319655296 991921109 /nfs/dbraw/zinc/92/11/09/991921109.db2.gz DYLPNNBFKMWCTE-UHFFFAOYSA-N 1 0 243.350 2.257 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C/C=C(/C)C=C ZINC001567045938 991925929 /nfs/dbraw/zinc/92/59/29/991925929.db2.gz MGHNPLVJUJGNGM-LLBKUYECSA-N 1 0 236.359 2.179 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C/C=C(\C)C=C ZINC001567045939 991927533 /nfs/dbraw/zinc/92/75/33/991927533.db2.gz MGHNPLVJUJGNGM-RPHSKFLZSA-N 1 0 236.359 2.179 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)c1cccc(F)c1)CC1CC1 ZINC001319667319 991928472 /nfs/dbraw/zinc/92/84/72/991928472.db2.gz VGOMLQVBPITTJC-OAHLLOKOSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)cn1)CC1CC1 ZINC001319666729 991928833 /nfs/dbraw/zinc/92/88/33/991928833.db2.gz LOEMLKCIYJLLIK-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)[C@H](C)C(C)C ZINC001567059635 991932861 /nfs/dbraw/zinc/93/28/61/991932861.db2.gz RAXZWAGMMYNMPD-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@H](C(=O)NC[C@@H](C)[NH2+]CC)c1ccccc1 ZINC001567081011 991936989 /nfs/dbraw/zinc/93/69/89/991936989.db2.gz YYIICOORUYKLHO-OCCSQVGLSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001567117765 991948115 /nfs/dbraw/zinc/94/81/15/991948115.db2.gz GDYIEFVKKGVGSK-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](Cc1[nH]nc2ccccc21)CC1CC1 ZINC001319726932 991952946 /nfs/dbraw/zinc/95/29/46/991952946.db2.gz IYVUZHRTXSSSOR-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)CC1CCCC1 ZINC001567206396 991958786 /nfs/dbraw/zinc/95/87/86/991958786.db2.gz SUNUBGJKUVOHKX-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@@H](C)[NH2+]C(C)C ZINC001567232502 991967270 /nfs/dbraw/zinc/96/72/70/991967270.db2.gz ZJLKCEGPJFTSJI-GFCCVEGCSA-N 1 0 240.391 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1 0 236.359 2.109 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[NH2+]CC[C@H](C)F ZINC001567503555 992053172 /nfs/dbraw/zinc/05/31/72/992053172.db2.gz BNVWFDICBNTWGK-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001567544807 992059156 /nfs/dbraw/zinc/05/91/56/992059156.db2.gz LHLXPVCFBDKSFO-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@@H](C)[C@H](C)CC ZINC001567582670 992066108 /nfs/dbraw/zinc/06/61/08/992066108.db2.gz XNNMDEBXPLDWGV-OLZOCXBDSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC(=O)NCC1C[NH+](C[C@H](C)CC)C1 ZINC001567824228 992103044 /nfs/dbraw/zinc/10/30/44/992103044.db2.gz DFFLMPAFJIFGTA-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCC[NH+]1CC(CNC(=O)CC)C1 ZINC001567821957 992105296 /nfs/dbraw/zinc/10/52/96/992105296.db2.gz CDYNBBGFXWVRPA-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)CC[NH+]1CC(CNC(=O)C(C)(C)C)C1 ZINC001567846953 992108900 /nfs/dbraw/zinc/10/89/00/992108900.db2.gz NGUSFVQDDVDYHJ-UHFFFAOYSA-N 1 0 238.375 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238.375 2.259 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)C=C(C)C ZINC001320336161 992174165 /nfs/dbraw/zinc/17/41/65/992174165.db2.gz YCEUHXRCUWPAHG-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CC2(COC)CCC2)C1 ZINC001261213682 992195587 /nfs/dbraw/zinc/19/55/87/992195587.db2.gz UUNLPZSGAKVLDY-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)/C=C(/C)CC ZINC001568628654 992200730 /nfs/dbraw/zinc/20/07/30/992200730.db2.gz DQDWKIJWCBUOHY-KIWPFMIBSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)/C=C(\C)CC ZINC001568628653 992200774 /nfs/dbraw/zinc/20/07/74/992200774.db2.gz DQDWKIJWCBUOHY-CNELAYHGSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)/C=C(\C)CC ZINC001568628487 992202473 /nfs/dbraw/zinc/20/24/73/992202473.db2.gz BMZQENRQJYCSBT-XZHRJIJLSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccn1C1CC1 ZINC001261255077 992226976 /nfs/dbraw/zinc/22/69/76/992226976.db2.gz LLWGKZJCAXENPD-LBPRGKRZSA-N 1 0 234.343 2.097 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)C1=CCCCCC1 ZINC001568841150 992227628 /nfs/dbraw/zinc/22/76/28/992227628.db2.gz AWFXCAZRDJVJMN-BQYQJAHWSA-N 1 0 248.370 2.325 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)C1(C)CC1 ZINC001568853931 992236284 /nfs/dbraw/zinc/23/62/84/992236284.db2.gz OGOVNOFCDHRMDQ-PLNGDYQASA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC(C)(F)F ZINC001320542753 992238168 /nfs/dbraw/zinc/23/81/68/992238168.db2.gz KDMDRKAGOQIZAS-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C=C1CCC1 ZINC001568987970 992259016 /nfs/dbraw/zinc/25/90/16/992259016.db2.gz XCEIWILCLKTAKJ-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001568996715 992260353 /nfs/dbraw/zinc/26/03/53/992260353.db2.gz PTMWRYXLPNUDNP-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C1(C)CC=CC1 ZINC001569016114 992266618 /nfs/dbraw/zinc/26/66/18/992266618.db2.gz NCJOKLBOMLZTPS-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC001569078895 992296287 /nfs/dbraw/zinc/29/62/87/992296287.db2.gz GTBWJXTTYIHCBX-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C1CCC=CCC1 ZINC001569097321 992307991 /nfs/dbraw/zinc/30/79/91/992307991.db2.gz UFLFZAQPGQPIIH-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCC1CC1 ZINC001569109135 992318683 /nfs/dbraw/zinc/31/86/83/992318683.db2.gz QGGBMQDTPCSBMK-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@](C)(C=C)CC ZINC001569136073 992325106 /nfs/dbraw/zinc/32/51/06/992325106.db2.gz LCPNGNOYJIKTEL-JSGCOSHPSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@](C)(C=C)CC ZINC001569136074 992326714 /nfs/dbraw/zinc/32/67/14/992326714.db2.gz LCPNGNOYJIKTEL-OCCSQVGLSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(C)=O ZINC001569155106 992335860 /nfs/dbraw/zinc/33/58/60/992335860.db2.gz GVYKBHNTFPYGHZ-KGLIPLIRSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(=O)N(C)CCC[NH2+]CC(=C)Cl ZINC001569187799 992338737 /nfs/dbraw/zinc/33/87/37/992338737.db2.gz GTEGCBIVBCIFLD-UHFFFAOYSA-N 1 0 244.766 2.143 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)[C@@H](C)CCC ZINC001569188841 992338859 /nfs/dbraw/zinc/33/88/59/992338859.db2.gz NEPGROQASIKWMF-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](COC)CC(C)(C)C ZINC001261513182 992358550 /nfs/dbraw/zinc/35/85/50/992358550.db2.gz MGGQAAFZLNYRBF-NEPJUHHUSA-N 1 0 229.364 2.228 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C/C ZINC001569352441 992370055 /nfs/dbraw/zinc/37/00/55/992370055.db2.gz KNYDQXCBPKQGDZ-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)C(=O)N(CC)CC[NH2+]CC1CC1 ZINC001320812412 992371179 /nfs/dbraw/zinc/37/11/79/992371179.db2.gz YRAMGZRJLWHECP-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(CC)CC[NH2+]C(C)C ZINC001320830480 992373736 /nfs/dbraw/zinc/37/37/36/992373736.db2.gz PKAGWQZBIGIMBC-AWEZNQCLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)C(C)(C)CC ZINC001320830557 992375443 /nfs/dbraw/zinc/37/54/43/992375443.db2.gz GMKXAFZKXFMKBC-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](C)C#N)cc1 ZINC001261566420 992385064 /nfs/dbraw/zinc/38/50/64/992385064.db2.gz HIMFPJWYRLKDOO-JTQLQIEISA-N 1 0 216.288 2.091 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)C(C)(C)C)CC1 ZINC001569428963 992390162 /nfs/dbraw/zinc/39/01/62/992390162.db2.gz QCVDNEUEIVWZDD-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC001320897160 992394927 /nfs/dbraw/zinc/39/49/27/992394927.db2.gz BIYFOLHDXGETJI-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)C[C@@H](C)CC)C1 ZINC001569490351 992399058 /nfs/dbraw/zinc/39/90/58/992399058.db2.gz VTQKLLCBGHGQFS-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)CC)C1 ZINC001569629813 992414802 /nfs/dbraw/zinc/41/48/02/992414802.db2.gz OSESAORXRNEMQA-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1C ZINC001261637698 992428699 /nfs/dbraw/zinc/42/86/99/992428699.db2.gz CQDGGAAHXRQTPS-KBPBESRZSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)C(C)=C1CCCC1 ZINC001321014337 992432272 /nfs/dbraw/zinc/43/22/72/992432272.db2.gz RGXPACALIPGWGP-SREVYHEPSA-N 1 0 248.370 2.325 20 30 BEEDRO C=CCCC[NH2+]C/C=C\CNC(=O)C1=CCCC1 ZINC001321024922 992437327 /nfs/dbraw/zinc/43/73/27/992437327.db2.gz PGMNOGQDHPTQSK-FPLPWBNLSA-N 1 0 248.370 2.325 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)/C=C(\C)C2CC2)C1 ZINC001570555078 992479440 /nfs/dbraw/zinc/47/94/40/992479440.db2.gz FPGQAMPSXQRMME-YRNVUSSQSA-N 1 0 248.370 2.013 20 30 BEEDRO C=C(C)C[NH2+]C/C=C\CNC(=O)C1(C)CCC1 ZINC001321189990 992480009 /nfs/dbraw/zinc/48/00/09/992480009.db2.gz RMTVPRGGLPKODI-PLNGDYQASA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+]CC1CC(NC(=O)C(C)=C2CCC2)C1 ZINC001570560195 992480166 /nfs/dbraw/zinc/48/01/66/992480166.db2.gz NYRNSEVLXVQKID-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C/CC ZINC001570590988 992486326 /nfs/dbraw/zinc/48/63/26/992486326.db2.gz STYLXNVNYCJFLV-BXAYLQTHSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C)CC1 ZINC001570604669 992487875 /nfs/dbraw/zinc/48/78/75/992487875.db2.gz MVCFKDKTKOUCQK-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C)CCC1 ZINC001570628204 992491054 /nfs/dbraw/zinc/49/10/54/992491054.db2.gz RFWAIOJRRGKMOB-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C/C(C)=C/CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC#CC ZINC001570626750 992492297 /nfs/dbraw/zinc/49/22/97/992492297.db2.gz HAGSIPRDPKYNON-DBLGQFABSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC)CCC1 ZINC001570630899 992492823 /nfs/dbraw/zinc/49/28/23/992492823.db2.gz NFADTSNGGMIQQT-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CC(CC)CC ZINC001570744529 992511556 /nfs/dbraw/zinc/51/15/56/992511556.db2.gz SYSRRVKQELPITP-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001570734174 992512606 /nfs/dbraw/zinc/51/26/06/992512606.db2.gz OPVKISGHRUDTKY-GXTWGEPZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)c1cc[nH]c1 ZINC001570810226 992521604 /nfs/dbraw/zinc/52/16/04/992521604.db2.gz LBWFZLHMJQIGPF-CYBMUJFWSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)C1=CCCC1 ZINC001571243893 992536535 /nfs/dbraw/zinc/53/65/35/992536535.db2.gz NGFORPUEGOWLFU-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)/C(C)=C/CC ZINC001571379547 992544512 /nfs/dbraw/zinc/54/45/12/992544512.db2.gz ZAHNTIANJYCVFO-SRXBQZRASA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)CCCC ZINC001571377349 992545477 /nfs/dbraw/zinc/54/54/77/992545477.db2.gz KEKJJEYMXUZYRN-LLVKDONJSA-N 1 0 246.782 2.366 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)CC=C ZINC001571407481 992549771 /nfs/dbraw/zinc/54/97/71/992549771.db2.gz XTQGVPMTYUCBFU-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C[C@H](C)[NH2+]CC ZINC001571401290 992550192 /nfs/dbraw/zinc/55/01/92/992550192.db2.gz AEUDGNCGNHIUBJ-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)[C@@H]1C ZINC001571452178 992562609 /nfs/dbraw/zinc/56/26/09/992562609.db2.gz IMXAEJUGKVBLDT-TZMCWYRMSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]CC(=C)C)C[C@H]1C ZINC001571473938 992567303 /nfs/dbraw/zinc/56/73/03/992567303.db2.gz YIAOGRPDGFHAES-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]([NH2+]CC(=C)C)C[C@@H]1C ZINC001571473941 992568646 /nfs/dbraw/zinc/56/86/46/992568646.db2.gz YIAOGRPDGFHAES-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C=C(C)C)C1 ZINC001571529610 992569501 /nfs/dbraw/zinc/56/95/01/992569501.db2.gz FGQUJGHMOCMEDC-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC)C1 ZINC001571531815 992571032 /nfs/dbraw/zinc/57/10/32/992571032.db2.gz HXYAKIBZEUTQMU-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@@H](NC(=O)C(C)C)C(C)(C)C ZINC001571618747 992577971 /nfs/dbraw/zinc/57/79/71/992577971.db2.gz CCAWLPUPXHLWIH-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO CC[C@@](C)([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC001262238087 992815106 /nfs/dbraw/zinc/81/51/06/992815106.db2.gz QYDMYIDVKRJCPN-ZIAGYGMSSA-N 1 0 232.327 2.176 20 30 BEEDRO C=CC[C@@H]1[N@@H+](C[C@H](O)CC#N)CCCC1(C)C ZINC001262276449 992834472 /nfs/dbraw/zinc/83/44/72/992834472.db2.gz FNOCUMBVBKNJDT-OLZOCXBDSA-N 1 0 236.359 2.328 20 30 BEEDRO C#CC[N@@H+](Cc1csc(C#N)c1)CC1CC1 ZINC001262357668 992855683 /nfs/dbraw/zinc/85/56/83/992855683.db2.gz RUNSNCTZDBFAJZ-UHFFFAOYSA-N 1 0 230.336 2.465 20 30 BEEDRO C#C[C@H](N[C@@H]1C[NH2+]C[C@H](C)C1)c1ccc(F)cc1 ZINC001574503604 992870246 /nfs/dbraw/zinc/87/02/46/992870246.db2.gz BOYIPCHRMLCBGF-UGFHNGPFSA-N 1 0 246.329 2.088 20 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BEEDRO C=CCCCCN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001574907389 992940933 /nfs/dbraw/zinc/94/09/33/992940933.db2.gz KLCPDFBKGVHTTD-OLZOCXBDSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC(C)=C(C)C1 ZINC001574903259 992941682 /nfs/dbraw/zinc/94/16/82/992941682.db2.gz NLCUJBIQAGBUGH-CYBMUJFWSA-N 1 0 236.359 2.239 20 30 BEEDRO C=CCCCCN1CCC[C@]12CC[NH2+]C2 ZINC001574907642 992943388 /nfs/dbraw/zinc/94/33/88/992943388.db2.gz VHUHPCMYSCDORG-CYBMUJFWSA-N 1 0 208.349 2.171 20 30 BEEDRO CC#CC[C@H]([NH3+])C(=O)N1CCCC12CCCCC2 ZINC001574963826 992954700 /nfs/dbraw/zinc/95/47/00/992954700.db2.gz XYFZZLNTKNVZKJ-ZDUSSCGKSA-N 1 0 248.370 2.052 20 30 BEEDRO C=C(C)CCC(=O)NCCCC[N@@H+](C)C1CC1 ZINC001262628368 992982324 /nfs/dbraw/zinc/98/23/24/992982324.db2.gz SHHMGCIQRLBHAH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC(C)(C)C1 ZINC001263075583 993100974 /nfs/dbraw/zinc/10/09/74/993100974.db2.gz UPIYFWIDYNZLIG-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)CC(C)C ZINC001263074698 993101568 /nfs/dbraw/zinc/10/15/68/993101568.db2.gz QHLCPJPYNRFROK-LBPRGKRZSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@](C)(C[NH3+])CC(C)C ZINC001263086931 993105685 /nfs/dbraw/zinc/10/56/85/993105685.db2.gz SEOWBHKSCMOKKH-YPMHNXCESA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC001263091843 993107900 /nfs/dbraw/zinc/10/79/00/993107900.db2.gz XNPXXQGOHQSAAF-RYUDHWBXSA-N 1 0 238.375 2.317 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC001263109654 993121040 /nfs/dbraw/zinc/12/10/40/993121040.db2.gz CGPUZSANMBCQQD-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)C(C)(C)C ZINC001263144873 993130038 /nfs/dbraw/zinc/13/00/38/993130038.db2.gz BNYKVFPJENVQBU-VXGBXAGGSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[C@@H]([NH3+])CC(C)C ZINC001263164675 993143325 /nfs/dbraw/zinc/14/33/25/993143325.db2.gz DMNXEJBHXXSGSV-LBPRGKRZSA-N 1 0 240.391 2.468 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H](OC)C[C@H]1C ZINC000379602522 993263333 /nfs/dbraw/zinc/26/33/33/993263333.db2.gz LHKLRZFUYIUGDF-UTUOFQBUSA-N 1 0 210.321 2.178 20 30 BEEDRO CC(=NOC(C)(C)C)c1csc(N)n1 ZINC000379645787 993268385 /nfs/dbraw/zinc/26/83/85/993268385.db2.gz XYHPDTOSVLZGKG-UHFFFAOYSA-N 1 0 213.306 2.095 20 30 BEEDRO C[C@@]1(CN(CCC#N)CC2CC2)CCC[NH2+]C1 ZINC001576500322 993323111 /nfs/dbraw/zinc/32/31/11/993323111.db2.gz FYIZUSNWIYJMBM-CQSZACIVSA-N 1 0 235.375 2.002 20 30 BEEDRO C=CCOC(=O)NCCCC[NH+](CC)CC ZINC000586477553 993374154 /nfs/dbraw/zinc/37/41/54/993374154.db2.gz UASHOYQVGCKSDV-UHFFFAOYSA-N 1 0 228.336 2.021 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(C(=O)OC)c1 ZINC000381297642 993386133 /nfs/dbraw/zinc/38/61/33/993386133.db2.gz HCRKCKCRSHBCQC-JTQLQIEISA-N 1 0 219.284 2.137 20 30 BEEDRO C[C@@H]1CCCN(Cc2csc(C#N)c2)[C@@H]1C[NH3+] ZINC001576708544 993400539 /nfs/dbraw/zinc/40/05/39/993400539.db2.gz FRQAAHFBDWLHLD-ZWNOBZJWSA-N 1 0 249.383 2.179 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000381501682 993403069 /nfs/dbraw/zinc/40/30/69/993403069.db2.gz GTRCZZGLIVVWJU-HNNXBMFYSA-N 1 0 243.354 2.154 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000381573504 993407857 /nfs/dbraw/zinc/40/78/57/993407857.db2.gz YOMCVUAKPYCDJG-RYUDHWBXSA-N 1 0 216.284 2.174 20 30 BEEDRO C=CC1(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001263605642 993414578 /nfs/dbraw/zinc/41/45/78/993414578.db2.gz ZRCIWTUSSIQFTL-NSHDSACASA-N 1 0 223.316 2.121 20 30 BEEDRO C=CC[N@@H+](C[C@@H](C)C(=O)OC)C(C)(C)C ZINC000382504808 993463094 /nfs/dbraw/zinc/46/30/94/993463094.db2.gz UTKUJCNFRVZXFO-SNVBAGLBSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(CC)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001263728215 993480879 /nfs/dbraw/zinc/48/08/79/993480879.db2.gz KRCLFHLVGYTAFA-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC001263777868 993506217 /nfs/dbraw/zinc/50/62/17/993506217.db2.gz YVBAIDVJBIFDKG-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2C=CCC2)C1 ZINC001263825283 993534426 /nfs/dbraw/zinc/53/44/26/993534426.db2.gz XHQCGACWIOUQSA-MCIONIFRSA-N 1 0 248.370 2.013 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000384138673 993546334 /nfs/dbraw/zinc/54/63/34/993546334.db2.gz FEOFCDXACWWEIS-LSDHHAIUSA-N 1 0 231.339 2.286 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001263870441 993571304 /nfs/dbraw/zinc/57/13/04/993571304.db2.gz YIWSCAJZARTKTM-HAQNSBGRSA-N 1 0 238.375 2.091 20 30 BEEDRO CC[C@H](CC#N)N1CCC([NH+]2CCCC2)CC1 ZINC000384483724 993587659 /nfs/dbraw/zinc/58/76/59/993587659.db2.gz QVYBOOQOTFQZLR-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC12CCOCC2 ZINC000387282371 993706506 /nfs/dbraw/zinc/70/65/06/993706506.db2.gz NETBFNBUHDBSPT-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H](CC)CCC=C ZINC000389898651 993761758 /nfs/dbraw/zinc/76/17/58/993761758.db2.gz AKAJFXWWIGQWBU-STQMWFEESA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC000390310173 993782538 /nfs/dbraw/zinc/78/25/38/993782538.db2.gz FPIPSNLMWBCJFV-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000390613048 993798347 /nfs/dbraw/zinc/79/83/47/993798347.db2.gz FRJALCCTOPMHJC-XDQVBPFNSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCC[N@H+](C)CCCNC(=O)C(C)(C)C=C ZINC001265021081 993809845 /nfs/dbraw/zinc/80/98/45/993809845.db2.gz DNLXMPOAWYWDCK-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001265227381 993821030 /nfs/dbraw/zinc/82/10/30/993821030.db2.gz UQMXMLHTSNQUTB-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)[C@H](C)CCC)C1CC1 ZINC001265350795 993843022 /nfs/dbraw/zinc/84/30/22/993843022.db2.gz XWGZUQCSMCZIHA-YPMHNXCESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)[C@@H](C)CCC)C1CC1 ZINC001265350794 993843759 /nfs/dbraw/zinc/84/37/59/993843759.db2.gz XWGZUQCSMCZIHA-WCQYABFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001265432253 993854815 /nfs/dbraw/zinc/85/48/15/993854815.db2.gz FDVSRNHEGWZQMY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C/C(C)=C\CC(=O)N1CC[C@H]([NH2+]CC(=C)C)C1 ZINC001265443326 993858963 /nfs/dbraw/zinc/85/89/63/993858963.db2.gz XWWFNNQKFFLGBH-XMRSSTEGSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)CCC(=C)C)C1 ZINC001265479827 993864476 /nfs/dbraw/zinc/86/44/76/993864476.db2.gz BJWLARXMKYGPFK-JOCQHMNTSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC=CC2)C1 ZINC001265533270 993875007 /nfs/dbraw/zinc/87/50/07/993875007.db2.gz VYZLCUGHFAHOIR-OKILXGFUSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001265531762 993875521 /nfs/dbraw/zinc/87/55/21/993875521.db2.gz UZSYWUCEXCQKEK-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001265605669 993885569 /nfs/dbraw/zinc/88/55/69/993885569.db2.gz ZTCFASIWUOCOOU-CQSZACIVSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)/C(C)=C\C ZINC001265643887 993891728 /nfs/dbraw/zinc/89/17/28/993891728.db2.gz WRWJQOGTKQADBG-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+]C1CCC(NC(=O)C=C(C)C)CC1 ZINC001265729949 993911879 /nfs/dbraw/zinc/91/18/79/993911879.db2.gz YTXMRBIUPLWGEI-UHFFFAOYSA-N 1 0 236.359 2.156 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)cc1C#N ZINC000701827938 993914517 /nfs/dbraw/zinc/91/45/17/993914517.db2.gz SMAQSINVSQSDCV-OCCSQVGLSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C1CCCCC1 ZINC001265749121 993921651 /nfs/dbraw/zinc/92/16/51/993921651.db2.gz YLWXWHYXXDDHCU-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001265756306 993929472 /nfs/dbraw/zinc/92/94/72/993929472.db2.gz BWKTVPZGNAOTLE-UCQJPZFISA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C=C(CC)CC ZINC001265766556 993936656 /nfs/dbraw/zinc/93/66/56/993936656.db2.gz LEFVDKONIHALEQ-GFCCVEGCSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1ccccc1CC ZINC001265816176 993946699 /nfs/dbraw/zinc/94/66/99/993946699.db2.gz QKKRNZOYTWVNHA-LBPRGKRZSA-N 1 0 246.354 2.143 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C1(CCC)CC1 ZINC001265821637 993950629 /nfs/dbraw/zinc/95/06/29/993950629.db2.gz XFOPXXONGCFHRV-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CC[C@@H](C)CC ZINC001265843849 993956251 /nfs/dbraw/zinc/95/62/51/993956251.db2.gz ODSWCQCQXGAPGS-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)CC[C@H](C)CC ZINC001265843847 993957309 /nfs/dbraw/zinc/95/73/09/993957309.db2.gz ODSWCQCQXGAPGS-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001265850484 993959997 /nfs/dbraw/zinc/95/99/97/993959997.db2.gz HFFHKTAGGBIOFJ-STQMWFEESA-N 1 0 246.354 2.070 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)C(C)(C)C ZINC000702310049 993986190 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ZINC001282168717 994207892 /nfs/dbraw/zinc/20/78/92/994207892.db2.gz RWJAGVFSTQHSBX-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C)C1 ZINC001282182612 994208487 /nfs/dbraw/zinc/20/84/87/994208487.db2.gz DOXZCGXRMHGAPF-NWDGAFQWSA-N 1 0 238.375 2.234 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]C(C)C ZINC001282182948 994209721 /nfs/dbraw/zinc/20/97/21/994209721.db2.gz DIENMGWGIDCCCF-NEPJUHHUSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC001282182953 994210076 /nfs/dbraw/zinc/21/00/76/994210076.db2.gz DIENMGWGIDCCCF-VXGBXAGGSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCCC[NH2+]CC(C)(C)CN(C)C(C)=O ZINC001282279410 994215103 /nfs/dbraw/zinc/21/51/03/994215103.db2.gz DMTFNNGCRBZBAB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCCCC(=O)NC[C@H](C)[N@@H+](C)CCC ZINC001282451794 994237612 /nfs/dbraw/zinc/23/76/12/994237612.db2.gz ZOIIOQWGUSCLHA-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+]CC1(NC(=O)CC)CCCCC1 ZINC001282595005 994245012 /nfs/dbraw/zinc/24/50/12/994245012.db2.gz VQBPCRNGBAKARI-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C1C[NH+](CC)C1 ZINC001282733614 994252944 /nfs/dbraw/zinc/25/29/44/994252944.db2.gz GVRLNGWQWMVTAJ-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC001283068709 994260567 /nfs/dbraw/zinc/26/05/67/994260567.db2.gz ABLIZTMXLFYLJS-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CCC(F)F ZINC001283644981 994290460 /nfs/dbraw/zinc/29/04/60/994290460.db2.gz ZYPAIVQKDDQBPB-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C ZINC001283703455 994293811 /nfs/dbraw/zinc/29/38/11/994293811.db2.gz HEPXCQDZSLSVCE-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)C1 ZINC001284158398 994323610 /nfs/dbraw/zinc/32/36/10/994323610.db2.gz NLHJXSLCYMQCHT-STQMWFEESA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC001335266530 994707091 /nfs/dbraw/zinc/70/70/91/994707091.db2.gz XVMBYNFZZCTRQJ-FRRDWIJNSA-N 1 0 238.375 2.222 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC001336014999 994922526 /nfs/dbraw/zinc/92/25/26/994922526.db2.gz BJPJCYKHZNPWPG-YUELXQCFSA-N 1 0 231.339 2.152 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[NH2+]CCC ZINC001491579158 994986055 /nfs/dbraw/zinc/98/60/55/994986055.db2.gz KLFOEYIMBVDTAE-DGCLKSJQSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH2+]CCC ZINC001491579160 994985825 /nfs/dbraw/zinc/98/58/25/994985825.db2.gz KLFOEYIMBVDTAE-YPMHNXCESA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001491721350 994999131 /nfs/dbraw/zinc/99/91/31/994999131.db2.gz HXQZAICKGHXNJU-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[C@H]([NH2+]C(C)C)C1 ZINC001491867619 995008748 /nfs/dbraw/zinc/00/87/48/995008748.db2.gz DROCMGKQACZLOT-STQMWFEESA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)/C=C(/C)CC ZINC001492021585 995016902 /nfs/dbraw/zinc/01/69/02/995016902.db2.gz XMZLSNDSMYSNMO-HHQWOOOKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H](C)C(C)C ZINC001492091948 995024638 /nfs/dbraw/zinc/02/46/38/995024638.db2.gz GWKHWVUJUYMKLY-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)CCCCC ZINC001492193112 995030943 /nfs/dbraw/zinc/03/09/43/995030943.db2.gz BTTIOHHYAOJWIK-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC[N@H+](C)CCNC(=O)C=C1CCCCC1 ZINC001492209236 995031892 /nfs/dbraw/zinc/03/18/92/995031892.db2.gz IFAOQMXRXFPMGG-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001336721535 995084088 /nfs/dbraw/zinc/08/40/88/995084088.db2.gz IXTSSOUHCMBLTI-TUAOUCFPSA-N 1 0 243.322 2.174 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]C[C@@H](C#N)CCC#N ZINC001336785311 995105892 /nfs/dbraw/zinc/10/58/92/995105892.db2.gz YHAZCURCEQVAEL-DTWKUNHWSA-N 1 0 233.237 2.360 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](C)CCC ZINC001317441858 995234463 /nfs/dbraw/zinc/23/44/63/995234463.db2.gz FWZAGOJMQQLINM-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001339280824 995335603 /nfs/dbraw/zinc/33/56/03/995335603.db2.gz UQADVALRMAWVEO-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC001307518152 995395930 /nfs/dbraw/zinc/39/59/30/995395930.db2.gz NYRCZTGUDUQYCI-GDBMZVCRSA-N 1 0 248.414 2.452 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCCC12CCOCC2 ZINC001307886731 995491246 /nfs/dbraw/zinc/49/12/46/995491246.db2.gz UGGXZDUYNDRFBC-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]32)CCC1 ZINC001307899538 995492911 /nfs/dbraw/zinc/49/29/11/995492911.db2.gz BGRVLZFVPWTCNL-HZSPNIEDSA-N 1 0 248.370 2.306 20 30 BEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC001308035896 995532213 /nfs/dbraw/zinc/53/22/13/995532213.db2.gz WPUZNCXARSBJBC-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(CC(C)(F)F)CC1 ZINC001308106476 995537874 /nfs/dbraw/zinc/53/78/74/995537874.db2.gz CQUWSANOPZXJKT-NSHDSACASA-N 1 0 232.318 2.224 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001308111290 995548097 /nfs/dbraw/zinc/54/80/97/995548097.db2.gz BWUFTRJKAWVTQS-LBPRGKRZSA-N 1 0 217.316 2.232 20 30 BEEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)CC1CCC1 ZINC001308132451 995561652 /nfs/dbraw/zinc/56/16/52/995561652.db2.gz ZNLKLMMSPKSALT-CYBMUJFWSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cncn1C ZINC001308134562 995562392 /nfs/dbraw/zinc/56/23/92/995562392.db2.gz CCAOBRUPLXFCJE-GFCCVEGCSA-N 1 0 219.332 2.351 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1CCc1cnccn1 ZINC001308138337 995566910 /nfs/dbraw/zinc/56/69/10/995566910.db2.gz XDELVGCCGVBAFK-AWEZNQCLSA-N 1 0 231.343 2.450 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1C[C@H](COC)OC ZINC001308138409 995567781 /nfs/dbraw/zinc/56/77/81/995567781.db2.gz YHJMXFNXBNWIEL-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO N#CCC1(C[NH2+]C2([C@H]3CCCO3)CCC2)CC1 ZINC001308162879 995581179 /nfs/dbraw/zinc/58/11/79/995581179.db2.gz VXDFBHPMXMRWTQ-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN(Cc2cccc(C#N)c2)C1 ZINC001308177963 995590886 /nfs/dbraw/zinc/59/08/86/995590886.db2.gz XJTAHLVAQNFQOY-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)/C=C(/C)CC ZINC001498039682 1170050883 /nfs/dbraw/zinc/05/08/83/1170050883.db2.gz IVFPPPKTHBRULH-WDDYJBPVSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)/C=C(\C)CC ZINC001498040133 1170050539 /nfs/dbraw/zinc/05/05/39/1170050539.db2.gz TZKCSJPEJLTVPN-ZKQHCESOSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(Cl)C[NH2+]C1(CNC(=O)C(C)C)CCC1 ZINC001501913834 1170053238 /nfs/dbraw/zinc/05/32/38/1170053238.db2.gz DGQLQQGULKZHHJ-UHFFFAOYSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)/C(C)=C\C)CCCC1 ZINC001568233199 1170100029 /nfs/dbraw/zinc/10/00/29/1170100029.db2.gz VDTMPNUZCJFKHO-XGICHPGQSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CCCC ZINC001569368291 1170104654 /nfs/dbraw/zinc/10/46/54/1170104654.db2.gz YBYIRGYYOOQLAT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H](O)COc1ccc(C(C)C)cc1 ZINC000032104631 1170464388 /nfs/dbraw/zinc/46/43/88/1170464388.db2.gz FVHHYQRSXPBORX-CQSZACIVSA-N 1 0 249.354 2.325 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccc(F)cc1 ZINC001616523709 1170559327 /nfs/dbraw/zinc/55/93/27/1170559327.db2.gz WWSLWIJIJXBNHU-CHWSQXEVSA-N 1 0 236.290 2.141 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC001616892759 1170569258 /nfs/dbraw/zinc/56/92/58/1170569258.db2.gz RUQLMSXYTIJPDR-UWVGGRQHSA-N 1 0 201.260 2.375 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)[C@H](C)CC)C1=O ZINC001617562254 1170595026 /nfs/dbraw/zinc/59/50/26/1170595026.db2.gz PNAJGOGJUHUSAM-UPJWGTAASA-N 1 0 238.375 2.140 20 30 BEEDRO CCCCCCCC[NH2+][C@H]1COC[C@H]1OC ZINC001618401919 1170634374 /nfs/dbraw/zinc/63/43/74/1170634374.db2.gz NROQVGQBJHSNBI-QWHCGFSZSA-N 1 0 229.364 2.350 20 30 BEEDRO C#CC[N@@H+](C[C@H](CC(C)C)OC)C1CSC1 ZINC001620320496 1170663758 /nfs/dbraw/zinc/66/37/58/1170663758.db2.gz DNQXIFGCCUYQKW-ZDUSSCGKSA-N 1 0 241.400 2.098 20 30 BEEDRO C[C@@]12CSC[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C2 ZINC001620647624 1170696678 /nfs/dbraw/zinc/69/66/78/1170696678.db2.gz YVEDPAALWLFJSV-RWMBFGLXSA-N 1 0 249.383 2.115 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OC)[C@H](C)CC)CC1CC1 ZINC001621159748 1170725904 /nfs/dbraw/zinc/72/59/04/1170725904.db2.gz HSVRPPQWBBBAHP-TZMCWYRMSA-N 1 0 223.360 2.393 20 30 BEEDRO CC#CCC[NH2+]Cc1c(Cl)n[nH]c1CC ZINC001621216116 1170745353 /nfs/dbraw/zinc/74/53/53/1170745353.db2.gz HEHQVFACCKHUMO-UHFFFAOYSA-N 1 0 225.723 2.129 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001621291206 1170754028 /nfs/dbraw/zinc/75/40/28/1170754028.db2.gz NZLKQENIRGHTFA-NSHDSACASA-N 1 0 241.718 2.072 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2CCC[C@H]12)[C@H]1CCCO1 ZINC001621270345 1170757593 /nfs/dbraw/zinc/75/75/93/1170757593.db2.gz SKDCWWZFELBARP-BTFPBAQTSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@H]12 ZINC001621303731 1170763819 /nfs/dbraw/zinc/76/38/19/1170763819.db2.gz JPPSWDDQVXJAOR-ZDEQEGDKSA-N 1 0 237.343 2.130 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001621291205 1170765923 /nfs/dbraw/zinc/76/59/23/1170765923.db2.gz NZLKQENIRGHTFA-LLVKDONJSA-N 1 0 241.718 2.072 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12 ZINC001621344878 1170772647 /nfs/dbraw/zinc/77/26/47/1170772647.db2.gz AMOUAKXIYCUYCI-QNWHQSFQSA-N 1 0 237.343 2.130 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@H]12 ZINC001621344881 1170772892 /nfs/dbraw/zinc/77/28/92/1170772892.db2.gz AMOUAKXIYCUYCI-ZDEQEGDKSA-N 1 0 237.343 2.130 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](C)OC)c1ccc(F)cc1 ZINC001621355093 1170779002 /nfs/dbraw/zinc/77/90/02/1170779002.db2.gz MXRMYZUNHMZQTB-GXFFZTMASA-N 1 0 221.275 2.125 20 30 BEEDRO C[C@H](Cc1ccno1)[NH2+]Cc1ccc(C#N)s1 ZINC001621399036 1170795557 /nfs/dbraw/zinc/79/55/57/1170795557.db2.gz YKMGVDRFHWURBS-SECBINFHSA-N 1 0 247.323 2.329 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC001621521661 1170834851 /nfs/dbraw/zinc/83/48/51/1170834851.db2.gz GVILHDYHGPAGJM-LVQVYYBASA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(C#N)CCOCC1 ZINC001621561774 1170852165 /nfs/dbraw/zinc/85/21/65/1170852165.db2.gz CYEYKPHSAOWHCV-UHFFFAOYSA-N 1 0 248.370 2.480 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC[C@@H](C#N)C2)CC1 ZINC000032537115 1170885540 /nfs/dbraw/zinc/88/55/40/1170885540.db2.gz VBQDWJBBMVQKIU-ZDUSSCGKSA-N 1 0 235.375 2.095 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CCC)C1 ZINC001622349036 1170885940 /nfs/dbraw/zinc/88/59/40/1170885940.db2.gz WMTPGFGYFIXWCZ-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1ccccc1OC ZINC000037185007 1170933557 /nfs/dbraw/zinc/93/35/57/1170933557.db2.gz VZWBKWWWMRJJAY-LLVKDONJSA-N 1 0 205.301 2.402 20 30 BEEDRO CC[C@H](CC#N)N1CC[NH+](C(C)(C)C)CC1 ZINC000042462105 1171232619 /nfs/dbraw/zinc/23/26/19/1171232619.db2.gz WJBMYUFEQDMQLZ-GFCCVEGCSA-N 1 0 223.364 2.095 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CNc1ccc(C#N)cc1 ZINC000044563167 1171396513 /nfs/dbraw/zinc/39/65/13/1171396513.db2.gz BWQSFWPWAOWFAV-CQSZACIVSA-N 1 0 229.327 2.454 20 30 BEEDRO CC[C@@H](CC#N)N(C)CCc1ccncc1 ZINC000048260058 1171601944 /nfs/dbraw/zinc/60/19/44/1171601944.db2.gz KLVDFOBARBQLBC-ZDUSSCGKSA-N 1 0 217.316 2.248 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CCc1ccncc1 ZINC000048323222 1171606804 /nfs/dbraw/zinc/60/68/04/1171606804.db2.gz NNNGXGBVYUHIRV-UHFFFAOYSA-N 1 0 231.343 2.496 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)C=C1CCC1 ZINC001634641060 1171669210 /nfs/dbraw/zinc/66/92/10/1171669210.db2.gz UAXXWXFTGUNHLV-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@@H](C)CC[NH+](C)C)cc1 ZINC001637034960 1171895772 /nfs/dbraw/zinc/89/57/72/1171895772.db2.gz PCWQYROEBONSBT-LBPRGKRZSA-N 1 0 244.338 2.194 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CCc1ccco1 ZINC000186718227 136207905 /nfs/dbraw/zinc/20/79/05/136207905.db2.gz BCIOVYQJEBKSPI-VXGBXAGGSA-N 1 0 223.316 2.127 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(F)c1 ZINC000186688715 136207448 /nfs/dbraw/zinc/20/74/48/136207448.db2.gz XCDJBYYWLWHUII-GXFFZTMASA-N 1 0 223.291 2.413 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000628314129 349443789 /nfs/dbraw/zinc/44/37/89/349443789.db2.gz NPEKTEBTWCVOGO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1CC ZINC000161396195 538915554 /nfs/dbraw/zinc/91/55/54/538915554.db2.gz FCLOTDIQSAZGLI-SNVBAGLBSA-N 1 0 207.321 2.037 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C)nn(CC)c1C ZINC000119651180 136212344 /nfs/dbraw/zinc/21/23/44/136212344.db2.gz XCCOWYJATIRIGC-UHFFFAOYSA-N 1 0 207.321 2.186 20 30 BEEDRO CC#CCN(C)Cc1ncc(C2CC2)o1 ZINC000271064810 398144021 /nfs/dbraw/zinc/14/40/21/398144021.db2.gz CMNDEASYNDUUPR-UHFFFAOYSA-N 1 0 204.273 2.007 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000085982294 136211810 /nfs/dbraw/zinc/21/18/10/136211810.db2.gz YYFZMORDBKHCST-VXGBXAGGSA-N 1 0 248.326 2.010 20 30 BEEDRO CCC(CC)(CO)C[NH2+]Cc1cccc(C#N)c1 ZINC000126410102 168327996 /nfs/dbraw/zinc/32/79/96/168327996.db2.gz DNQWGDGVYMRHDD-UHFFFAOYSA-N 1 0 246.354 2.447 20 30 BEEDRO CCC(CC)(CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000053046945 168329380 /nfs/dbraw/zinc/32/93/80/168329380.db2.gz YWVSLQTWUWQFQV-UHFFFAOYSA-N 1 0 232.327 2.199 20 30 BEEDRO CC[N@H+](CCCCCOC)C[C@@H](C)C#N ZINC000103227610 136214763 /nfs/dbraw/zinc/21/47/63/136214763.db2.gz WLCNPWGYSMXMKL-LBPRGKRZSA-N 1 0 212.337 2.285 20 30 BEEDRO CC[N@H+](CCCCCOC)C[C@H](C)C#N ZINC000103227615 136214804 /nfs/dbraw/zinc/21/48/04/136214804.db2.gz WLCNPWGYSMXMKL-GFCCVEGCSA-N 1 0 212.337 2.285 20 30 BEEDRO C#CC[N@@H+](CCc1csc(C)n1)C1CC1 ZINC000274177407 398150474 /nfs/dbraw/zinc/15/04/74/398150474.db2.gz OJFGBJNANFVZIC-UHFFFAOYSA-N 1 0 220.341 2.092 20 30 BEEDRO C#CC[N@@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000274122657 398150651 /nfs/dbraw/zinc/15/06/51/398150651.db2.gz NJWORXOYXWGYAQ-UHFFFAOYSA-N 1 0 219.259 2.129 20 30 BEEDRO C=CC[C@H]1[N@H+](Cc2ncnn2C)CCCC1(C)C ZINC000277884051 398154284 /nfs/dbraw/zinc/15/42/84/398154284.db2.gz VQGBKIYQYHYXKZ-GFCCVEGCSA-N 1 0 248.374 2.382 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C#N)cc1 ZINC000120881309 136215455 /nfs/dbraw/zinc/21/54/55/136215455.db2.gz JWPUPTOCHMXTJU-UHFFFAOYSA-N 1 0 230.311 2.241 20 30 BEEDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335181605 343980392 /nfs/dbraw/zinc/98/03/92/343980392.db2.gz POPTXVLHFFKMJX-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335181607 343980515 /nfs/dbraw/zinc/98/05/15/343980515.db2.gz POPTXVLHFFKMJX-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)ccc1C#N ZINC000337216009 178037662 /nfs/dbraw/zinc/03/76/62/178037662.db2.gz HMBVELMQUXTJCY-IUODEOHRSA-N 1 0 244.338 2.381 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC000336689393 136216588 /nfs/dbraw/zinc/21/65/88/136216588.db2.gz KBARXZGOIMRUNE-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[C@H](C)N[C@H](CCC)C(=O)OC ZINC000308955674 136217128 /nfs/dbraw/zinc/21/71/28/136217128.db2.gz QOBWQINKIWPSSE-WDEREUQCSA-N 1 0 213.321 2.272 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H]1CC ZINC000424290699 398180427 /nfs/dbraw/zinc/18/04/27/398180427.db2.gz BWLKNGMYBRTEFM-CYDGBPFRSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@@H](CNC(=[NH2+])N(C)C)Sc1ccccc1 ZINC000178584500 136217498 /nfs/dbraw/zinc/21/74/98/136217498.db2.gz SLDADMPVFZRXOE-JTQLQIEISA-N 1 0 237.372 2.044 20 30 BEEDRO Cc1c(CNC(=[NH2+])N(C)C)oc2ccccc12 ZINC000178577792 136217522 /nfs/dbraw/zinc/21/75/22/136217522.db2.gz BZGYKZQQJMFXDN-UHFFFAOYSA-N 1 0 231.299 2.118 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274768639 398163330 /nfs/dbraw/zinc/16/33/30/398163330.db2.gz LYTWPMPCNRXPAO-MWLCHTKSSA-N 1 0 240.734 2.323 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CCCSCC#N ZINC000309497515 136218636 /nfs/dbraw/zinc/21/86/36/136218636.db2.gz YVVSMBHKGBHAKC-RYUDHWBXSA-N 1 0 242.388 2.180 20 30 BEEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC#N)C1(C)C ZINC000309335427 136217859 /nfs/dbraw/zinc/21/78/59/136217859.db2.gz IWMGGWQRUWSPOM-VXGBXAGGSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCCCC[N@H+]1CCN(CC)[C@@H](C)C1 ZINC000649396017 398197808 /nfs/dbraw/zinc/19/78/08/398197808.db2.gz OUTOFZLAOIAESG-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC(C)(C)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000649377014 398185202 /nfs/dbraw/zinc/18/52/02/398185202.db2.gz RQWIFWPJCZRFRW-UHFFFAOYSA-N 1 0 233.315 2.298 20 30 BEEDRO C=CCCCC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000649913412 398185349 /nfs/dbraw/zinc/18/53/49/398185349.db2.gz JUKKJVJNHOOKJA-CHWSQXEVSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](O)C(F)F ZINC000336739218 136219141 /nfs/dbraw/zinc/21/91/41/136219141.db2.gz SEUAINHGQZYDRV-UWVGGRQHSA-N 1 0 221.291 2.337 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCC1CCCCC1 ZINC000336739246 136219152 /nfs/dbraw/zinc/21/91/52/136219152.db2.gz SGKRBNCWWJULNE-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO CCC[C@H](CCO)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309620964 136219308 /nfs/dbraw/zinc/21/93/08/136219308.db2.gz DHIOUZIYEGWHMM-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000336744663 136219489 /nfs/dbraw/zinc/21/94/89/136219489.db2.gz ZRZIIXZZSWIMQJ-UTUOFQBUSA-N 1 0 224.373 2.411 20 30 BEEDRO Cc1ccc(CC[NH2+]Cc2ccc(C#N)o2)nc1 ZINC000453608919 398203741 /nfs/dbraw/zinc/20/37/41/398203741.db2.gz YPZYVLNLONFBIE-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H]1c1nncn1C ZINC000649406111 398205851 /nfs/dbraw/zinc/20/58/51/398205851.db2.gz XNLGSFSEAMMUHV-LBPRGKRZSA-N 1 0 234.347 2.308 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2cccnc2)CC1 ZINC000649406310 398206580 /nfs/dbraw/zinc/20/65/80/398206580.db2.gz PBFLTEWGZUUNQF-HNNXBMFYSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2cc(F)ccc2C1 ZINC000649406481 398207101 /nfs/dbraw/zinc/20/71/01/398207101.db2.gz VZPBAGURDVOIAK-AWEZNQCLSA-N 1 0 235.302 2.121 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cnccn1 ZINC000336753036 136220233 /nfs/dbraw/zinc/22/02/33/136220233.db2.gz WDVFMNSEDONBBB-VXGBXAGGSA-N 1 0 219.332 2.209 20 30 BEEDRO C=CCC[C@H]([NH2+]CCN1CCC1)C1CC1 ZINC000336753846 136220333 /nfs/dbraw/zinc/22/03/33/136220333.db2.gz HVPWXDUYXVVGIQ-ZDUSSCGKSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1F ZINC000186714568 349517651 /nfs/dbraw/zinc/51/76/51/349517651.db2.gz QBSIXEYSEVJTFZ-QWRGUYRKSA-N 1 0 223.291 2.413 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1ccn(C)n1 ZINC000414174202 398218649 /nfs/dbraw/zinc/21/86/49/398218649.db2.gz XWGMHUPREGJIJL-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO Cc1cc(NCC(C)(C)[NH+](C)C)cc(C#N)n1 ZINC000308270263 178157380 /nfs/dbraw/zinc/15/73/80/178157380.db2.gz VMLFYJZGGMJVTI-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)C1CCCCC1 ZINC000336773938 136221444 /nfs/dbraw/zinc/22/14/44/136221444.db2.gz ZBYGBRSGGQXZFQ-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO N#CCC[NH2+]C[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000576390493 365583012 /nfs/dbraw/zinc/58/30/12/365583012.db2.gz JLASJENRJDETLB-MGPQQGTHSA-N 1 0 212.296 2.076 20 30 BEEDRO CN(CC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426739606 398220480 /nfs/dbraw/zinc/22/04/80/398220480.db2.gz DISUSYAYZFVULR-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO Cc1cc(N[C@@H](C)C[N@H+](C)C(C)C)cc(C#N)n1 ZINC000308278294 178179156 /nfs/dbraw/zinc/17/91/56/178179156.db2.gz SIQCUUIVEOYMPO-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000421387747 192327201 /nfs/dbraw/zinc/32/72/01/192327201.db2.gz PMOFMUUFEORJLI-WDEREUQCSA-N 1 0 234.299 2.198 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000421387745 192327489 /nfs/dbraw/zinc/32/74/89/192327489.db2.gz PMOFMUUFEORJLI-MNOVXSKESA-N 1 0 234.299 2.198 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@]12CCOC2 ZINC000421401045 192331319 /nfs/dbraw/zinc/33/13/19/192331319.db2.gz KYONSUQFSKDLKV-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)C[NH+]1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602435774 349522117 /nfs/dbraw/zinc/52/21/17/349522117.db2.gz UOKBSBAILLRVBA-AWEZNQCLSA-N 1 0 237.391 2.200 20 30 BEEDRO C[C@@H]([NH3+])c1ccc(NC(=O)C2(C#N)CCC2)cc1 ZINC000602435393 349522548 /nfs/dbraw/zinc/52/25/48/349522548.db2.gz SVXPSWYJMUAXAA-SNVBAGLBSA-N 1 0 243.310 2.339 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000602439932 349526359 /nfs/dbraw/zinc/52/63/59/349526359.db2.gz HSMPOMSFWASYQK-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602437459 349524539 /nfs/dbraw/zinc/52/45/39/349524539.db2.gz YFOHEDDMIAXRPS-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCN(C)C(=O)NCC([NH3+])(CC)CC ZINC000418443689 192036268 /nfs/dbraw/zinc/03/62/68/192036268.db2.gz VWNLQPHJAWJUAC-UHFFFAOYSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CC[C@H](CC)NC(=O)c1c[nH+]ccc1N(C)C ZINC000281636872 398237532 /nfs/dbraw/zinc/23/75/32/398237532.db2.gz HBEOZYQUHVLDEM-NSHDSACASA-N 1 0 247.342 2.232 20 30 BEEDRO C#CCCCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000090399102 136227381 /nfs/dbraw/zinc/22/73/81/136227381.db2.gz IBSDJVREYDOXQL-CYBMUJFWSA-N 1 0 219.332 2.264 20 30 BEEDRO C#CC[NH+](CC#C)CCCCC(=O)OC(C)(C)C ZINC000181936409 398237949 /nfs/dbraw/zinc/23/79/49/398237949.db2.gz JXVYPBQOZRCKIW-UHFFFAOYSA-N 1 0 249.354 2.067 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CCN(CCC#N)CC1CC1 ZINC000161985480 349528035 /nfs/dbraw/zinc/52/80/35/349528035.db2.gz ZFWBMXSNSJJWQS-AWEZNQCLSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H](CO)COC(C)C ZINC000580516806 398238576 /nfs/dbraw/zinc/23/85/76/398238576.db2.gz OVZPESNILZNBFH-CYBMUJFWSA-N 1 0 229.364 2.060 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1C#N ZINC000335750428 398238738 /nfs/dbraw/zinc/23/87/38/398238738.db2.gz ALHLBTZZMOOLSO-GXTWGEPZSA-N 1 0 229.327 2.271 20 30 BEEDRO CCC(CC)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189598594 168361037 /nfs/dbraw/zinc/36/10/37/168361037.db2.gz XILJIMCLNJZGHN-UHFFFAOYSA-N 1 0 219.332 2.423 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000320416620 398242893 /nfs/dbraw/zinc/24/28/93/398242893.db2.gz RPBRUIWCADMDJV-STQMWFEESA-N 1 0 247.338 2.079 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCOC1 ZINC000337215648 398240884 /nfs/dbraw/zinc/24/08/84/398240884.db2.gz GVSPAIDJWUOICW-ZYHUDNBSSA-N 1 0 248.301 2.212 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000191985382 398246557 /nfs/dbraw/zinc/24/65/57/398246557.db2.gz FXFRFLJFJFUTFT-MRXNPFEDSA-N 1 0 242.366 2.064 20 30 BEEDRO C[C@@H](CCNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000285181835 136228737 /nfs/dbraw/zinc/22/87/37/136228737.db2.gz UTHGSXBWFLRQJB-NWDGAFQWSA-N 1 0 231.343 2.118 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000602466070 349538604 /nfs/dbraw/zinc/53/86/04/349538604.db2.gz WCGJZPRAZUZAED-GXTWGEPZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000176077400 365658505 /nfs/dbraw/zinc/65/85/05/365658505.db2.gz IHJFAGZKVOUOFH-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCSC[C@H]1C ZINC000602467650 349539985 /nfs/dbraw/zinc/53/99/85/349539985.db2.gz HTXJRFHGQCXCLH-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602449369 349550690 /nfs/dbraw/zinc/55/06/90/349550690.db2.gz ZPZGOIHVTYNUPU-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1ncc([C@@H](C)N(C)[C@@H](C)CC#N)c(C)n1 ZINC000602461510 349555399 /nfs/dbraw/zinc/55/53/99/349555399.db2.gz GSBPOQOMITZLDT-GXSJLCMTSA-N 1 0 232.331 2.388 20 30 BEEDRO Cc1ncc([C@H](C)N(C)[C@H](C)CC#N)c(C)n1 ZINC000602461511 349555610 /nfs/dbraw/zinc/55/56/10/349555610.db2.gz GSBPOQOMITZLDT-KOLCDFICSA-N 1 0 232.331 2.388 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCS[C@H](C)C1 ZINC000602461039 349555642 /nfs/dbraw/zinc/55/56/42/349555642.db2.gz WOPSQUZBJGSYTH-WDEREUQCSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC2(CCC2)C1 ZINC000602475636 349563591 /nfs/dbraw/zinc/56/35/91/349563591.db2.gz LUTOATKDTJPPQG-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC1(O)CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602477163 349564472 /nfs/dbraw/zinc/56/44/72/349564472.db2.gz RGPDCWNIKJLXSS-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@H]1C1CC1 ZINC000602477772 349564861 /nfs/dbraw/zinc/56/48/61/349564861.db2.gz UCSDAGLIVLNZNT-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](C#N)C[N@H+](CCC[C@H]1CCO1)C1CC1 ZINC000602484267 349567089 /nfs/dbraw/zinc/56/70/89/349567089.db2.gz NQUHVCULPPSJPD-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000602486035 349567970 /nfs/dbraw/zinc/56/79/70/349567970.db2.gz UCZVFJBSMWVLGS-RYUDHWBXSA-N 1 0 226.364 2.265 20 30 BEEDRO Cc1noc(C)c1C[NH2+]C1CCC(C#N)CC1 ZINC000602521072 349575008 /nfs/dbraw/zinc/57/50/08/349575008.db2.gz LNCLLDMLCKNTLO-UHFFFAOYSA-N 1 0 233.315 2.463 20 30 BEEDRO CCOCCCC[NH2+]C1CCC(C#N)CC1 ZINC000602522491 349575891 /nfs/dbraw/zinc/57/58/91/349575891.db2.gz WDNWLBUNJZSWQE-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000378750846 346827140 /nfs/dbraw/zinc/82/71/40/346827140.db2.gz URAQPNPSOBJTKA-JXUBOQSCSA-N 1 0 214.259 2.312 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H]2C(F)F)C1 ZINC000378750847 346827316 /nfs/dbraw/zinc/82/73/16/346827316.db2.gz URAQPNPSOBJTKA-XKNYDFJKSA-N 1 0 214.259 2.312 20 30 BEEDRO CCC(O)(CC)C[NH2+]C[C@@H](C)CCC#N ZINC000602525856 349577508 /nfs/dbraw/zinc/57/75/08/349577508.db2.gz STARUIBLSOUWMN-NSHDSACASA-N 1 0 212.337 2.067 20 30 BEEDRO COc1ccc(C[NH2+]C[C@@H](C)CCC#N)cc1O ZINC000602527310 349578628 /nfs/dbraw/zinc/57/86/28/349578628.db2.gz OFEJVIAHTZISDR-NSHDSACASA-N 1 0 248.326 2.430 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1nccn1C(F)F ZINC000602529982 349579184 /nfs/dbraw/zinc/57/91/84/349579184.db2.gz RUSHKVAFZCZMBE-VIFPVBQESA-N 1 0 242.273 2.308 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CC1(C#N)CCOCC1)C1CC1 ZINC000602504139 349581332 /nfs/dbraw/zinc/58/13/32/349581332.db2.gz SUVFLHBZOXQFBG-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1nn(C)c(C)c1CC[NH2+]C[C@@H](C)CCC#N ZINC000602504888 349582021 /nfs/dbraw/zinc/58/20/21/349582021.db2.gz WPOXQPPJBXXAQI-NSHDSACASA-N 1 0 248.374 2.109 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602506621 349582680 /nfs/dbraw/zinc/58/26/80/349582680.db2.gz FJSGHXCIRPTXBA-JXQTWKCFSA-N 1 0 235.375 2.143 20 30 BEEDRO COC[C@@H]([NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602547737 349590139 /nfs/dbraw/zinc/59/01/39/349590139.db2.gz NNNWUTNHTQMXLQ-NWDGAFQWSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCCO1 ZINC000602510633 349584176 /nfs/dbraw/zinc/58/41/76/349584176.db2.gz LAXVKNQWRMIXBP-WTIISPKJSA-N 1 0 222.332 2.226 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602547165 349590217 /nfs/dbraw/zinc/59/02/17/349590217.db2.gz AYMZUMCSYOSCCM-HSBZDZAISA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCCCCC1 ZINC000602512119 349585835 /nfs/dbraw/zinc/58/58/35/349585835.db2.gz PVEVXUSYNUAZTL-CQSZACIVSA-N 1 0 237.391 2.392 20 30 BEEDRO Cc1cc(C[NH3+])cc(NC(=O)C2(C#N)CCC2)c1 ZINC000602514686 349586792 /nfs/dbraw/zinc/58/67/92/349586792.db2.gz LHWMCHCMKQGICF-UHFFFAOYSA-N 1 0 243.310 2.086 20 30 BEEDRO Cc1ncc(C[NH2+]C[C@H](C)CCC#N)s1 ZINC000602544524 349588669 /nfs/dbraw/zinc/58/86/69/349588669.db2.gz KMCJRCPNLGZAEZ-SECBINFHSA-N 1 0 223.345 2.481 20 30 BEEDRO CCC[C@@](C)(CO)[NH2+]C[C@@H](C)CCC#N ZINC000602546404 349589781 /nfs/dbraw/zinc/58/97/81/349589781.db2.gz MHKCZYPNOKNZQU-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO CC(C)(CO)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602558340 349598485 /nfs/dbraw/zinc/59/84/85/349598485.db2.gz LMBUFMAEIOZBOT-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@@H](C[C@H](C)CO)[NH2+]C1CCC(C#N)CC1 ZINC000602560164 349599732 /nfs/dbraw/zinc/59/97/32/349599732.db2.gz WTTSWRUQNFVEIO-AHPWVWPOSA-N 1 0 238.375 2.455 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602560005 349599766 /nfs/dbraw/zinc/59/97/66/349599766.db2.gz HBZWHUZJDBXLED-RYUDHWBXSA-N 1 0 212.337 2.187 20 30 BEEDRO CC[C@H](C)N(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000602533572 349601734 /nfs/dbraw/zinc/60/17/34/349601734.db2.gz OLCUATFXFIWVQJ-STQMWFEESA-N 1 0 225.380 2.246 20 30 BEEDRO COCCCCC[NH2+]C[C@@H](C)CCC#N ZINC000602534461 349602480 /nfs/dbraw/zinc/60/24/80/349602480.db2.gz VGQZXAQXARMOCJ-LBPRGKRZSA-N 1 0 212.337 2.333 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602548825 349591276 /nfs/dbraw/zinc/59/12/76/349591276.db2.gz FUIHUNMHTYKXRA-OLZOCXBDSA-N 1 0 225.380 2.246 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602550805 349592102 /nfs/dbraw/zinc/59/21/02/349592102.db2.gz NLOGJBVTSBQRNC-PKSQDBQZSA-N 1 0 246.358 2.462 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCC(C)(C)CO ZINC000602554284 349596126 /nfs/dbraw/zinc/59/61/26/349596126.db2.gz FMJQLCNGBDNKBY-LBPRGKRZSA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCC(C)(C)CO ZINC000602554283 349596174 /nfs/dbraw/zinc/59/61/74/349596174.db2.gz FMJQLCNGBDNKBY-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000602554306 349596215 /nfs/dbraw/zinc/59/62/15/349596215.db2.gz FVZQFKZEWIWEHR-YVECIDJPSA-N 1 0 236.359 2.329 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]C[C@@H](C)CCC#N ZINC000602556984 349597718 /nfs/dbraw/zinc/59/77/18/349597718.db2.gz HXMDGPFAPDCCTP-STQMWFEESA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cn[nH]c1 ZINC000602580125 349608503 /nfs/dbraw/zinc/60/85/03/349608503.db2.gz NGPCAHFZZDBYCW-BMQDGWLCSA-N 1 0 218.304 2.143 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000600153325 342691952 /nfs/dbraw/zinc/69/19/52/342691952.db2.gz JBEOBSOKQJFQDP-USWWRNFRSA-N 1 0 204.317 2.314 20 30 BEEDRO CC[C@@H](CC#N)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153293 342692043 /nfs/dbraw/zinc/69/20/43/342692043.db2.gz YBZZLYJSPXFPJS-RYUDHWBXSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@]1(C[NH2+]CC2(C#N)CC2)CCCS1 ZINC000600153599 342692117 /nfs/dbraw/zinc/69/21/17/342692117.db2.gz NKOZHCLAMURANE-SNVBAGLBSA-N 1 0 210.346 2.165 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153291 342692130 /nfs/dbraw/zinc/69/21/30/342692130.db2.gz YBZZLYJSPXFPJS-NEPJUHHUSA-N 1 0 223.364 2.141 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000600155536 342692408 /nfs/dbraw/zinc/69/24/08/342692408.db2.gz GNEHJYOLGWJAJS-UHFFFAOYSA-N 1 0 248.326 2.314 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000602587095 349612429 /nfs/dbraw/zinc/61/24/29/349612429.db2.gz ORBLHUPIAYASDU-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000267144846 398279383 /nfs/dbraw/zinc/27/93/83/398279383.db2.gz JTLTXTUMPKZXRI-GFCCVEGCSA-N 1 0 232.327 2.151 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000348690180 136236552 /nfs/dbraw/zinc/23/65/52/136236552.db2.gz XRRSBGMIAJLUHU-TZMCWYRMSA-N 1 0 234.343 2.102 20 30 BEEDRO COC[C@H]([NH2+]C[C@@H](C)CCC#N)c1ccco1 ZINC000602563716 349616167 /nfs/dbraw/zinc/61/61/67/349616167.db2.gz HHEQJWWLWNRQMA-RYUDHWBXSA-N 1 0 236.315 2.497 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCN(CC3CC3)C2)C1 ZINC000613254412 361858770 /nfs/dbraw/zinc/85/87/70/361858770.db2.gz JBUXVLPICHJWBA-KFWWJZLASA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(CCO)CCC1 ZINC000602566793 349618647 /nfs/dbraw/zinc/61/86/47/349618647.db2.gz GCPFDMCTCAMYPH-LBPRGKRZSA-N 1 0 224.348 2.069 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCCS1 ZINC000602566374 349618734 /nfs/dbraw/zinc/61/87/34/349618734.db2.gz CLQWUGLSXGYWJL-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CCC#N)C1(C)C ZINC000602564991 349617166 /nfs/dbraw/zinc/61/71/66/349617166.db2.gz XUAYFSXLSIEJFC-QJPTWQEYSA-N 1 0 224.348 2.329 20 30 BEEDRO CC#CCNc1cccc(C[NH+](C)C)c1 ZINC000634574147 342774498 /nfs/dbraw/zinc/77/44/98/342774498.db2.gz WODVBQDUSRDUPR-UHFFFAOYSA-N 1 0 202.301 2.183 20 30 BEEDRO CC#CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000607729435 342783977 /nfs/dbraw/zinc/78/39/77/342783977.db2.gz CLDLLFLYCPCDDP-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CN1C1CC1 ZINC000602569212 349620108 /nfs/dbraw/zinc/62/01/08/349620108.db2.gz NUUIUWHRUZNXDD-BLYZHGLHSA-N 1 0 247.386 2.284 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]C1CC=CC1 ZINC000602570419 349620884 /nfs/dbraw/zinc/62/08/84/349620884.db2.gz UPIBCJFXGDDWIZ-GFCCVEGCSA-N 1 0 234.343 2.394 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(CO)CCCCC1 ZINC000602573530 349623220 /nfs/dbraw/zinc/62/32/20/349623220.db2.gz RIWISGXYQGMKDW-ZDUSSCGKSA-N 1 0 238.375 2.459 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000335464312 398288792 /nfs/dbraw/zinc/28/87/92/398288792.db2.gz PFIVWLZUSFKJOS-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO COCC#CC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000380348379 538989223 /nfs/dbraw/zinc/98/92/23/538989223.db2.gz UOUUSEQYXMOVKV-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO CC(C)(C)OC(=O)CCCCC[NH2+]CCC#N ZINC000583989850 342830177 /nfs/dbraw/zinc/83/01/77/342830177.db2.gz SNYBWKHSOJNKOF-UHFFFAOYSA-N 1 0 240.347 2.392 20 30 BEEDRO CCC[C@@H](C[NH+]1CCC(C)(C#N)CC1)OC ZINC000602603727 349626478 /nfs/dbraw/zinc/62/64/78/349626478.db2.gz DUTBYVAVWDSJMZ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000381744509 539006214 /nfs/dbraw/zinc/00/62/14/539006214.db2.gz PSMFJEUZIPOCKA-ZIAGYGMSSA-N 1 0 223.360 2.441 20 30 BEEDRO CO[C@H](C[NH2+]CCCC#N)C1CCCCC1 ZINC000602604936 349627389 /nfs/dbraw/zinc/62/73/89/349627389.db2.gz RTYFLDLCSJXYHZ-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCCCCCN(C)C(=O)N[C@H](C)CC[NH3+] ZINC000418520316 192046994 /nfs/dbraw/zinc/04/69/94/192046994.db2.gz HDEDOTHSSUSXDE-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO C[N@H+](CCNc1ccc(C#N)cn1)C1CCCC1 ZINC000109406978 398296287 /nfs/dbraw/zinc/29/62/87/398296287.db2.gz FFOPNDLRTFGGGE-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602607544 349630992 /nfs/dbraw/zinc/63/09/92/349630992.db2.gz YCSXENWIHHTJTQ-UHFFFAOYSA-N 1 0 236.315 2.118 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000134549275 342863769 /nfs/dbraw/zinc/86/37/69/342863769.db2.gz UMDVHGCITJHXJH-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO CO[C@@H](C[NH2+]CC(C)(C)C#N)CC(C)C ZINC000602608266 349631688 /nfs/dbraw/zinc/63/16/88/349631688.db2.gz SOQOMSQOJPHATM-LLVKDONJSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CC1(F)F ZINC000602608663 349631923 /nfs/dbraw/zinc/63/19/23/349631923.db2.gz VLTJFMJSJLMZKO-HTQZYQBOSA-N 1 0 202.248 2.169 20 30 BEEDRO CO[C@](C)(C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000602608462 349632067 /nfs/dbraw/zinc/63/20/67/349632067.db2.gz VAODZDOEGBVALB-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CC1(F)F ZINC000602608664 349632101 /nfs/dbraw/zinc/63/21/01/349632101.db2.gz VLTJFMJSJLMZKO-JGVFFNPUSA-N 1 0 202.248 2.169 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353252033 136244658 /nfs/dbraw/zinc/24/46/58/136244658.db2.gz IUARZTLXUHPBDR-CABCVRRESA-N 1 0 244.338 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000351336116 136244736 /nfs/dbraw/zinc/24/47/36/136244736.db2.gz YNJGBHXCQXXSFS-VXGBXAGGSA-N 1 0 211.349 2.434 20 30 BEEDRO CCOC(=O)C1(C)CC([NH2+][C@@H](CC)CC#N)C1 ZINC000602609314 349632582 /nfs/dbraw/zinc/63/25/82/349632582.db2.gz BWPDPYHCPQNZDZ-ZBOXLXRLSA-N 1 0 238.331 2.000 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@H]2CCO)o1 ZINC000342828243 342857731 /nfs/dbraw/zinc/85/77/31/342857731.db2.gz XFMUKJLSPVUDKG-LBPRGKRZSA-N 1 0 248.326 2.278 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000020206852 398316131 /nfs/dbraw/zinc/31/61/31/398316131.db2.gz IQNHLAIQHBYZBC-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000602611098 349635088 /nfs/dbraw/zinc/63/50/88/349635088.db2.gz VNCDOCGHJWSKMA-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO 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CCOc1ccccc1CNC(=[NH2+])N(CC)CC ZINC000104161626 398323868 /nfs/dbraw/zinc/32/38/68/398323868.db2.gz MRUCSCNBMTWWLA-UHFFFAOYSA-N 1 0 249.358 2.242 20 30 BEEDRO CCCCNC(=[NH2+])NCCc1cccc(F)c1 ZINC000104157540 398323889 /nfs/dbraw/zinc/32/38/89/398323889.db2.gz AJBQBIBJRPPKTO-UHFFFAOYSA-N 1 0 237.322 2.073 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000104158918 398323895 /nfs/dbraw/zinc/32/38/95/398323895.db2.gz XDCDLYPRZBDCQP-UHFFFAOYSA-N 1 0 243.354 2.199 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(OC(C)(C)C)CC1 ZINC000678049873 488186464 /nfs/dbraw/zinc/18/64/64/488186464.db2.gz PSNPYTBIUWIJIR-CYBMUJFWSA-N 1 0 241.375 2.203 20 30 BEEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)on1 ZINC000260022531 349638826 /nfs/dbraw/zinc/63/88/26/349638826.db2.gz MTNUHMGISQKTQR-UHFFFAOYSA-N 1 0 233.315 2.499 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)c1ccsc1 ZINC000602619064 349640437 /nfs/dbraw/zinc/64/04/37/349640437.db2.gz LCCUCIUSRIIMJC-CMPLNLGQSA-N 1 0 238.356 2.311 20 30 BEEDRO 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CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164532227 398328839 /nfs/dbraw/zinc/32/88/39/398328839.db2.gz SPTVUMBAFDNMKU-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000602650398 349659674 /nfs/dbraw/zinc/65/96/74/349659674.db2.gz GIUZBHNYNUBLRF-KBPBESRZSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ncnn1C(C)(C)C ZINC000602653236 349660261 /nfs/dbraw/zinc/66/02/61/349660261.db2.gz NXJGOUMBQIRVPP-LLVKDONJSA-N 1 0 249.362 2.063 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)CC1CCC1 ZINC000602637604 349651349 /nfs/dbraw/zinc/65/13/49/349651349.db2.gz HDFOEIBTWSDRIZ-AAEUAGOBSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@H]1CC(F)F ZINC000602654292 349660987 /nfs/dbraw/zinc/66/09/87/349660987.db2.gz KJWZDTXAXUPNTM-GHMZBOCLSA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000602640725 349654053 /nfs/dbraw/zinc/65/40/53/349654053.db2.gz YZPBKPPYOQAOIO-DGCLKSJQSA-N 1 0 244.338 2.389 20 30 BEEDRO COCC1(C[NH2+]C2CCC(C#N)CC2)CCC1 ZINC000602654667 349661027 /nfs/dbraw/zinc/66/10/27/349661027.db2.gz WVZLIELMSLMVLT-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@H](C[NH2+]CC1(C#N)CC1)C1CCCC1 ZINC000602641813 349654614 /nfs/dbraw/zinc/65/46/14/349654614.db2.gz FGNPUEVPBUESHZ-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H](CCC#N)C[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000602647669 349658276 /nfs/dbraw/zinc/65/82/76/349658276.db2.gz JWWPHIIKNGNDOK-DYEKYZERSA-N 1 0 236.359 2.426 20 30 BEEDRO CCC[C@H](C[NH2+]C[C@H](C)CCC#N)OC ZINC000602675194 349668272 /nfs/dbraw/zinc/66/82/72/349668272.db2.gz SPYVTAVYAFPXQS-VXGBXAGGSA-N 1 0 212.337 2.331 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](C)CCC#N ZINC000602676050 349669064 /nfs/dbraw/zinc/66/90/64/349669064.db2.gz BZYUDRXVIDZUGH-JHJVBQTASA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)[N@@H+](C[C@@H](C)CCC#N)[C@H]1CCOC1 ZINC000602675542 349669096 /nfs/dbraw/zinc/66/90/96/349669096.db2.gz KMCNRDWECYIGFY-STQMWFEESA-N 1 0 224.348 2.426 20 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BEEDRO CCc1ncc(C[NH2+]C[C@@H](C)CCC#N)o1 ZINC000602683188 349675376 /nfs/dbraw/zinc/67/53/76/349675376.db2.gz JHTWPLAVCPLTAU-JTQLQIEISA-N 1 0 221.304 2.266 20 30 BEEDRO CO[C@](C)(C[NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000602682987 349675423 /nfs/dbraw/zinc/67/54/23/349675423.db2.gz ZPRUDWYLYBNNKF-FPMFFAJLSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000602684375 349676118 /nfs/dbraw/zinc/67/61/18/349676118.db2.gz WXOAGGAVOIMWOG-IJLUTSLNSA-N 1 0 232.331 2.418 20 30 BEEDRO C=C(C)CC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000351758360 136251749 /nfs/dbraw/zinc/25/17/49/136251749.db2.gz PJCDCGRNFIZVMU-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000168256894 398340817 /nfs/dbraw/zinc/34/08/17/398340817.db2.gz HMOKLXYMUCSNIL-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CCCCO ZINC000602680105 349672630 /nfs/dbraw/zinc/67/26/30/349672630.db2.gz OUXAFKRRHOXQEB-VXGBXAGGSA-N 1 0 212.337 2.067 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]CCC[C@H]2CCO2)C1 ZINC000602680546 349673412 /nfs/dbraw/zinc/67/34/12/349673412.db2.gz PFBUJZOBLRJRSL-AVGNSLFASA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CCN1C ZINC000602681533 349673540 /nfs/dbraw/zinc/67/35/40/349673540.db2.gz VZWYRHFLYXYNDL-ZOBORPQBSA-N 1 0 235.375 2.141 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602680525 349673556 /nfs/dbraw/zinc/67/35/56/349673556.db2.gz CYJXHAWGPWMPFF-UHFFFAOYSA-N 1 0 236.315 2.166 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCN(C)C[C@H]1C ZINC000602664434 349684221 /nfs/dbraw/zinc/68/42/21/349684221.db2.gz DBVNSBIOKICVFV-MCIONIFRSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000602667511 349684888 /nfs/dbraw/zinc/68/48/88/349684888.db2.gz QBDBRZHEITUILU-QWHCGFSZSA-N 1 0 246.358 2.149 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CC2(C1)CCOCC2 ZINC000602689501 349680364 /nfs/dbraw/zinc/68/03/64/349680364.db2.gz 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CC[C@H]([NH2+][C@H](C)CCC#N)[C@@H]1CCCO1 ZINC000309226435 136274939 /nfs/dbraw/zinc/27/49/39/136274939.db2.gz VZZKJAJLQOLEJB-WOPDTQHZSA-N 1 0 210.321 2.226 20 30 BEEDRO Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000363934810 136275108 /nfs/dbraw/zinc/27/51/08/136275108.db2.gz YICBKMGCVCWFQM-STQMWFEESA-N 1 0 246.358 2.340 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634684213 343217698 /nfs/dbraw/zinc/21/76/98/343217698.db2.gz KINJZPAARUKQCU-UPJWGTAASA-N 1 0 239.359 2.267 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634684214 343217793 /nfs/dbraw/zinc/21/77/93/343217793.db2.gz KINJZPAARUKQCU-XQQFMLRXSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCNC(=[NH2+])NCC(CC)(CC)CC ZINC000177531882 346930682 /nfs/dbraw/zinc/93/06/82/346930682.db2.gz CZVNOURZCFWBSS-UHFFFAOYSA-N 1 0 211.353 2.293 20 30 BEEDRO CCNC(=[NH2+])NCCCCOc1ccc(C)cc1 ZINC000264096037 136281324 /nfs/dbraw/zinc/28/13/24/136281324.db2.gz MSWGIXJTRUEHHI-UHFFFAOYSA-N 1 0 249.358 2.078 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271525404 136282426 /nfs/dbraw/zinc/28/24/26/136282426.db2.gz VRBALCQLSNRCDZ-NWDGAFQWSA-N 1 0 248.326 2.102 20 30 BEEDRO Cn1cc(C[NH2+]CCCC#N)c(C(C)(C)C)n1 ZINC000273010079 136283084 /nfs/dbraw/zinc/28/30/84/136283084.db2.gz BSBAKZVIKITCQI-UHFFFAOYSA-N 1 0 234.347 2.111 20 30 BEEDRO CC[C@H](C#N)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000122240946 136278108 /nfs/dbraw/zinc/27/81/08/136278108.db2.gz MDFYOCCMCXRCRI-VXGBXAGGSA-N 1 0 225.380 2.245 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(C#N)o1 ZINC000343466379 343249555 /nfs/dbraw/zinc/24/95/55/343249555.db2.gz JJUAFOJEEFDLGE-NSHDSACASA-N 1 0 234.299 2.152 20 30 BEEDRO C=CCOCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000339012069 136279689 /nfs/dbraw/zinc/27/96/89/136279689.db2.gz HVFDIAWPCVANJX-BETUJISGSA-N 1 0 209.333 2.311 20 30 BEEDRO CC(C)CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339018660 136279797 /nfs/dbraw/zinc/27/97/97/136279797.db2.gz CSEZSIJLLVJDAK-BFHYXJOUSA-N 1 0 236.359 2.426 20 30 BEEDRO Cc1ccnc(N[C@H]2CCC[N@H+](C)[C@@H]2C)c1C#N ZINC000343506423 343251648 /nfs/dbraw/zinc/25/16/48/343251648.db2.gz HCXHURGOQWLMCM-YPMHNXCESA-N 1 0 244.342 2.156 20 30 BEEDRO COC[C@@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000343511622 343251654 /nfs/dbraw/zinc/25/16/54/343251654.db2.gz LUAPAKQXYKMWKO-OAHLLOKOSA-N 1 0 244.338 2.115 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)[nH]n1 ZINC000608982505 343251948 /nfs/dbraw/zinc/25/19/48/343251948.db2.gz OYPKPABUQPDCHK-LLVKDONJSA-N 1 0 240.310 2.441 20 30 BEEDRO CN(CC1([NH+](C)C)CCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000339112379 136280402 /nfs/dbraw/zinc/28/04/02/136280402.db2.gz NQAYZRRSKQFQGC-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCCCCN(C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418702567 192062289 /nfs/dbraw/zinc/06/22/89/192062289.db2.gz QEEDXHWJSBRHKO-NWDGAFQWSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCCCCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641047358 362157627 /nfs/dbraw/zinc/15/76/27/362157627.db2.gz VPRLJNBBDJSNRR-CYBMUJFWSA-N 1 0 248.374 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BEEDRO C=C(C[NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000309354633 343324681 /nfs/dbraw/zinc/32/46/81/343324681.db2.gz NPXXCZPQEQGOOA-UHFFFAOYSA-N 1 0 213.284 2.213 20 30 BEEDRO C=CCCN1CC[NH2+]Cc2ccccc21 ZINC000070593272 343333909 /nfs/dbraw/zinc/33/39/09/343333909.db2.gz PFPQEYMULXVQLP-UHFFFAOYSA-N 1 0 202.301 2.172 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000165416303 343292392 /nfs/dbraw/zinc/29/23/92/343292392.db2.gz MLLLXGYFXZOLRB-WFASDCNBSA-N 1 0 244.338 2.381 20 30 BEEDRO COC1CC([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000348717813 136294237 /nfs/dbraw/zinc/29/42/37/136294237.db2.gz VPZGZXHGYRCIFQ-UHFFFAOYSA-N 1 0 224.348 2.426 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000070159459 343303469 /nfs/dbraw/zinc/30/34/69/343303469.db2.gz QEHLOGNLPFTJOL-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO N#CCCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000609133300 343314094 /nfs/dbraw/zinc/31/40/94/343314094.db2.gz HYNPVCDHMBVZAN-UHFFFAOYSA-N 1 0 230.311 2.097 20 30 BEEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CC1CC1 ZINC000344116783 343344265 /nfs/dbraw/zinc/34/42/65/343344265.db2.gz NLEMPAARNKKDOY-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CCOc1ccccc1CN(C)CC[NH+](C)C ZINC000348937362 136309561 /nfs/dbraw/zinc/30/95/61/136309561.db2.gz WFMSIMHSQQCBKM-UHFFFAOYSA-N 1 0 248.370 2.245 20 30 BEEDRO C=CCC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000335672415 136313991 /nfs/dbraw/zinc/31/39/91/136313991.db2.gz QTPOBQNGYMMOQV-UHFFFAOYSA-N 1 0 231.295 2.436 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000609258468 343395513 /nfs/dbraw/zinc/39/55/13/343395513.db2.gz XZLNEWLJQFFFBG-ZDUSSCGKSA-N 1 0 232.331 2.214 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000609258467 343395607 /nfs/dbraw/zinc/39/56/07/343395607.db2.gz XZLNEWLJQFFFBG-CYBMUJFWSA-N 1 0 232.331 2.214 20 30 BEEDRO CN(Cc1ccon1)Cc1ccc(F)c(C#N)c1 ZINC000344371541 343397365 /nfs/dbraw/zinc/39/73/65/343397365.db2.gz SIJWCAJNGWSASU-UHFFFAOYSA-N 1 0 245.257 2.317 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000344580762 343421139 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136375246 /nfs/dbraw/zinc/37/52/46/136375246.db2.gz DIFIMMJLWWLTFY-NWDGAFQWSA-N 1 0 247.342 2.228 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1 ZINC000289914523 136375527 /nfs/dbraw/zinc/37/55/27/136375527.db2.gz RXJYCKZTSQZZLI-CYZMBNFOSA-N 1 0 209.333 2.115 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cccnc1N ZINC000290011034 136375577 /nfs/dbraw/zinc/37/55/77/136375577.db2.gz LXKSOQBHOJTOQN-UHFFFAOYSA-N 1 0 205.305 2.062 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H]1CCn2ccnc21 ZINC000296480592 136375943 /nfs/dbraw/zinc/37/59/43/136375943.db2.gz PCBLCODDESZXHK-GHMZBOCLSA-N 1 0 205.305 2.272 20 30 BEEDRO CSC1CC[NH+](CCCSCC#N)CC1 ZINC000602920115 349810253 /nfs/dbraw/zinc/81/02/53/349810253.db2.gz KDXRNIBIMWOXNA-UHFFFAOYSA-N 1 0 244.429 2.461 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH+]1CCC(C)(O)CC1 ZINC000165498408 343485732 /nfs/dbraw/zinc/48/57/32/343485732.db2.gz WVYNFZGLIUHMRU-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C[C@H](Cc1cccs1)[NH2+]C[C@H](C)C#N ZINC000070851500 343514616 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344038870 /nfs/dbraw/zinc/03/88/70/344038870.db2.gz DWTGRNLGEJHJEZ-NSHDSACASA-N 1 0 249.310 2.046 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CC=C)C1 ZINC000625701222 344041649 /nfs/dbraw/zinc/04/16/49/344041649.db2.gz PHOJVYHIZGDGQR-QWHCGFSZSA-N 1 0 209.333 2.212 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccccc1C#N ZINC000334175103 343830187 /nfs/dbraw/zinc/83/01/87/343830187.db2.gz CEKGMKBSIPNCFZ-STQMWFEESA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccccc1C#N ZINC000334175099 343830232 /nfs/dbraw/zinc/83/02/32/343830232.db2.gz CEKGMKBSIPNCFZ-QWHCGFSZSA-N 1 0 243.354 2.083 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2conc2C)C1 ZINC000625700577 344040361 /nfs/dbraw/zinc/04/03/61/344040361.db2.gz CEAPPDLHSPYLGT-NSHDSACASA-N 1 0 206.289 2.381 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCC1CC(O)C1 ZINC000309225218 346995894 /nfs/dbraw/zinc/99/58/94/346995894.db2.gz VVZWGXNBWKTEEY-OTTFEQOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NCCCCC)C1 ZINC000625701130 344040999 /nfs/dbraw/zinc/04/09/99/344040999.db2.gz NKDJKXCLOQTKQO-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H](O)C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000334536676 343890382 /nfs/dbraw/zinc/89/03/82/343890382.db2.gz UWCCSYLAEMHGKG-IAQYHMDHSA-N 1 0 244.338 2.296 20 30 BEEDRO CN(Cc1cccc(F)c1C#N)[C@@H]1CCCOC1 ZINC000334597689 343895431 /nfs/dbraw/zinc/89/54/31/343895431.db2.gz WPDRYCUGWMOKTI-GFCCVEGCSA-N 1 0 248.301 2.308 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC3(C2)CCCOC3)cc1 ZINC000334598638 343895450 /nfs/dbraw/zinc/89/54/50/343895450.db2.gz HNNFBVBEYSHAAI-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO Cn1cc(C[NH+]2CC3(C2)CCCC3)cc1C#N ZINC000334646972 343897151 /nfs/dbraw/zinc/89/71/51/343897151.db2.gz UQYQHQXWJQSLDT-UHFFFAOYSA-N 1 0 229.327 2.273 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1C ZINC000334740391 343904963 /nfs/dbraw/zinc/90/49/63/343904963.db2.gz VWULGFSZONVJFH-SWLSCSKDSA-N 1 0 244.338 2.415 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(O)CC1 ZINC000090800593 343941619 /nfs/dbraw/zinc/94/16/19/343941619.db2.gz NKTYUAYLJMGZRC-ZFDZMSFRSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[N@H+](Cc1ccncc1C)[C@@H](C)COC ZINC000625530598 343920120 /nfs/dbraw/zinc/92/01/20/343920120.db2.gz QJEHSOUNLYELIN-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@H+](Cc1ccncc1C)[C@H](C)COC ZINC000625530594 343920262 /nfs/dbraw/zinc/92/02/62/343920262.db2.gz QJEHSOUNLYELIN-CYBMUJFWSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1 ZINC000625535825 343924194 /nfs/dbraw/zinc/92/41/94/343924194.db2.gz WFIBBXNPIBLMQN-GFCCVEGCSA-N 1 0 247.342 2.273 20 30 BEEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000335132686 343928685 /nfs/dbraw/zinc/92/86/85/343928685.db2.gz TWOBLXLQWAYKRR-QWHCGFSZSA-N 1 0 243.354 2.083 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2(C3CCC3)CC2)n1 ZINC000602696357 343973029 /nfs/dbraw/zinc/97/30/29/343973029.db2.gz ABUIIONQUMUEQG-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO N#CCCC[N@H+](Cc1cccnc1)C1CC1 ZINC000180274669 347020881 /nfs/dbraw/zinc/02/08/81/347020881.db2.gz VJQUJQXBCSODAY-UHFFFAOYSA-N 1 0 215.300 2.350 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2nnc(C3CC3)o2)C1 ZINC000625702448 344046321 /nfs/dbraw/zinc/04/63/21/344046321.db2.gz YFWCBBABLSAZDL-SNVBAGLBSA-N 1 0 233.315 2.345 20 30 BEEDRO C=CCCC[C@H](C)n1cc(CC[NH+](C)C)nn1 ZINC000641234605 362289887 /nfs/dbraw/zinc/28/98/87/362289887.db2.gz HCXCQFUYNGWAQN-LBPRGKRZSA-N 1 0 236.363 2.300 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(CC[NH+](C)C)nn1 ZINC000641234604 362290411 /nfs/dbraw/zinc/29/04/11/362290411.db2.gz HCXCQFUYNGWAQN-GFCCVEGCSA-N 1 0 236.363 2.300 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000625787135 344074652 /nfs/dbraw/zinc/07/46/52/344074652.db2.gz WDQXHZQDVNBZHX-CABCVRRESA-N 1 0 246.354 2.449 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CCOC2CCOCC2)C1 ZINC000625703752 344048403 /nfs/dbraw/zinc/04/84/03/344048403.db2.gz DDUKJZCGWUTNAL-CYBMUJFWSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@@H](CC=C)C2)nn1 ZINC000625704500 344048711 /nfs/dbraw/zinc/04/87/11/344048711.db2.gz YJYLQZHYZNMLRN-CYBMUJFWSA-N 1 0 246.358 2.252 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@H](CC=C)C2)nn1 ZINC000625704504 344049155 /nfs/dbraw/zinc/04/91/55/344049155.db2.gz YJYLQZHYZNMLRN-ZDUSSCGKSA-N 1 0 246.358 2.252 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2ccncc2)C1 ZINC000625702260 344053519 /nfs/dbraw/zinc/05/35/19/344053519.db2.gz WCZAVEWHRDBKDR-GFCCVEGCSA-N 1 0 202.301 2.480 20 30 BEEDRO C[C@H]1C[C@H](C[NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000216210905 344060110 /nfs/dbraw/zinc/06/01/10/344060110.db2.gz KIEPNRJENALMIN-VHSXEESVSA-N 1 0 249.745 2.385 20 30 BEEDRO C=CCC[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625831366 344083261 /nfs/dbraw/zinc/08/32/61/344083261.db2.gz BXHGBKOIIWYJKK-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625835017 344088975 /nfs/dbraw/zinc/08/89/75/344088975.db2.gz RIJFVDULHMUVAF-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO CC1(C)CC([NH2+]Cc2nc(C#N)cs2)C1 ZINC000395187164 344119181 /nfs/dbraw/zinc/11/91/81/344119181.db2.gz UFBUBLHNVWLPMA-UHFFFAOYSA-N 1 0 221.329 2.293 20 30 BEEDRO CCC[NH+]1CCN([C@H](C#N)c2ccccc2)CC1 ZINC000080908441 344135133 /nfs/dbraw/zinc/13/51/33/344135133.db2.gz VDBFBMXOHWBNIC-OAHLLOKOSA-N 1 0 243.354 2.279 20 30 BEEDRO C[C@@H](O)[C@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000161860552 133516213 /nfs/dbraw/zinc/51/62/13/133516213.db2.gz ZLEVEHUBFSBEKX-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(F)ccc1F ZINC000152953453 166202808 /nfs/dbraw/zinc/20/28/08/166202808.db2.gz DOAWSJVBZZIRTN-UHFFFAOYSA-N 1 0 241.306 2.421 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)c1nccs1 ZINC000129279484 344212060 /nfs/dbraw/zinc/21/20/60/344212060.db2.gz DZGNZRBHGUOQMB-JTQLQIEISA-N 1 0 240.372 2.295 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(OC)c1 ZINC000152938628 166202862 /nfs/dbraw/zinc/20/28/62/166202862.db2.gz QIXPABMSGQWCGU-UHFFFAOYSA-N 1 0 235.352 2.151 20 30 BEEDRO CS[C@H](C)CNC(=[NH2+])Nc1ccccc1 ZINC000130530342 344222496 /nfs/dbraw/zinc/22/24/96/344222496.db2.gz HJHDXPNDEMTFEW-SECBINFHSA-N 1 0 223.345 2.165 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1cnnn1C ZINC000131930920 344240030 /nfs/dbraw/zinc/24/00/30/344240030.db2.gz LXQIFTZDMOEATA-LLVKDONJSA-N 1 0 222.336 2.040 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cncs1 ZINC000131556455 344233252 /nfs/dbraw/zinc/23/32/52/344233252.db2.gz RHIJDOAZIJGMKP-SNVBAGLBSA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C2CC2)C1 ZINC000126825829 344184158 /nfs/dbraw/zinc/18/41/58/344184158.db2.gz PDFUKOMLDIOUDK-RYUDHWBXSA-N 1 0 208.349 2.167 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccccc1OC ZINC000152922508 166202760 /nfs/dbraw/zinc/20/27/60/166202760.db2.gz CTQFUICMLNHACH-UHFFFAOYSA-N 1 0 235.352 2.151 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634752037 344204429 /nfs/dbraw/zinc/20/44/29/344204429.db2.gz CKTFTWWIWRGMEF-SNVBAGLBSA-N 1 0 219.275 2.309 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000234766188 344247457 /nfs/dbraw/zinc/24/74/57/344247457.db2.gz SIPGGQUKGNRWRN-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccnc1Cl)C(C)C ZINC000289320649 344251959 /nfs/dbraw/zinc/25/19/59/344251959.db2.gz FPPKIXTVKKPRKD-NSHDSACASA-N 1 0 222.719 2.482 20 30 BEEDRO C=CCCC[NH+]1CCN(c2ncccc2F)CC1 ZINC000090631087 344272033 /nfs/dbraw/zinc/27/20/33/344272033.db2.gz GRFRLGFFONETBA-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO COc1cc(C[NH2+]CC(C)C)ccc1C#N ZINC000234834177 344272502 /nfs/dbraw/zinc/27/25/02/344272502.db2.gz QUXHAZDSKYFJQP-UHFFFAOYSA-N 1 0 218.300 2.312 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767855 344279544 /nfs/dbraw/zinc/27/95/44/344279544.db2.gz NADSQUGBKMAJBT-HIFRSBDPSA-N 1 0 248.370 2.013 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000290451298 344289190 /nfs/dbraw/zinc/28/91/90/344289190.db2.gz SUFDPPKWXNCNDJ-JTQLQIEISA-N 1 0 238.356 2.090 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290451301 344289242 /nfs/dbraw/zinc/28/92/42/344289242.db2.gz SUFDPPKWXNCNDJ-SNVBAGLBSA-N 1 0 238.356 2.090 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000290453846 344292658 /nfs/dbraw/zinc/29/26/58/344292658.db2.gz TTZQQUWSFNXASW-CYBMUJFWSA-N 1 0 235.327 2.036 20 30 BEEDRO CC1(C)CC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600731930 344364559 /nfs/dbraw/zinc/36/45/59/344364559.db2.gz NXYKPZYWCWZVHS-NEPJUHHUSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600731723 344364617 /nfs/dbraw/zinc/36/46/17/344364617.db2.gz ZEKKWCGXRNXBAO-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000600734472 344364621 /nfs/dbraw/zinc/36/46/21/344364621.db2.gz CGNRTJAURBDSQK-KBPBESRZSA-N 1 0 248.370 2.209 20 30 BEEDRO CC(C)C1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600732417 344364695 /nfs/dbraw/zinc/36/46/95/344364695.db2.gz ZFLJNUDKTMRHNC-GFCCVEGCSA-N 1 0 236.359 2.067 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779899 344317830 /nfs/dbraw/zinc/31/78/30/344317830.db2.gz KOKOQLZSAFGIKE-UPJWGTAASA-N 1 0 209.333 2.309 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600735632 344365247 /nfs/dbraw/zinc/36/52/47/344365247.db2.gz MUXURFREJJQGAR-FRRDWIJNSA-N 1 0 236.359 2.067 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000133643689 344321515 /nfs/dbraw/zinc/32/15/15/344321515.db2.gz DQFANHPRVUUOOI-QWRGUYRKSA-N 1 0 205.301 2.404 20 30 BEEDRO CO[C@H](C[NH+]1CCC(CCC#N)CC1)C1CC1 ZINC000400123231 344324784 /nfs/dbraw/zinc/32/47/84/344324784.db2.gz MTNXBDPGJNWDPT-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1cccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)c1 ZINC000600716274 344362048 /nfs/dbraw/zinc/36/20/48/344362048.db2.gz DGYYVCGFSGKURD-AWEZNQCLSA-N 1 0 244.338 2.139 20 30 BEEDRO CC(C)CC[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600717794 344362494 /nfs/dbraw/zinc/36/24/94/344362494.db2.gz NKZUFDUWEFEHSW-CHWSQXEVSA-N 1 0 238.375 2.455 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC(C2CC2)C2CC2)CC1 ZINC000600725788 344363588 /nfs/dbraw/zinc/36/35/88/344363588.db2.gz DMFNGQKBPJZJRH-ZDUSSCGKSA-N 1 0 248.370 2.067 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(C3CC3)CCC2)CC1 ZINC000600725153 344363660 /nfs/dbraw/zinc/36/36/60/344363660.db2.gz CJRKNEYZAPNFKA-CYBMUJFWSA-N 1 0 248.370 2.211 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CCC2=CCCC2)CC1 ZINC000600727964 344364047 /nfs/dbraw/zinc/36/40/47/344364047.db2.gz NVTXCYMZOIOEEN-CYBMUJFWSA-N 1 0 234.343 2.131 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CC23CCC(CC2)C3)CC1 ZINC000600731586 344364496 /nfs/dbraw/zinc/36/44/96/344364496.db2.gz MVAJQBIBTPHENX-JVWICGRDSA-N 1 0 248.370 2.211 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600749687 344368362 /nfs/dbraw/zinc/36/83/62/344368362.db2.gz RDUSGRUUMQKYSP-QWHCGFSZSA-N 1 0 236.359 2.065 20 30 BEEDRO CC[C@H](C)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600750930 344368395 /nfs/dbraw/zinc/36/83/95/344368395.db2.gz XSNVOQXDTDDENP-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO N#Cc1ccc(-c2nc3c(s2)C[NH2+]CC3)s1 ZINC000600774993 344370829 /nfs/dbraw/zinc/37/08/29/344370829.db2.gz ILEVEOIYNXZJHB-UHFFFAOYSA-N 1 0 247.348 2.389 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CCC ZINC000181260335 259375491 /nfs/dbraw/zinc/37/54/91/259375491.db2.gz OBCATYIYCMYMRF-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H](CO)CC1CCC1 ZINC000600875847 344386922 /nfs/dbraw/zinc/38/69/22/344386922.db2.gz ACZPLIMJTBTTMZ-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000381463817 344509455 /nfs/dbraw/zinc/50/94/55/344509455.db2.gz LYYWNSMLVBRBAJ-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCCNC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000380912291 344451632 /nfs/dbraw/zinc/45/16/32/344451632.db2.gz NKOKRJXJNXTIEI-HNNXBMFYSA-N 1 0 243.354 2.012 20 30 BEEDRO COc1cc(C[NH2+]C2CC=CC2)ccc1C#N ZINC000234901134 344466490 /nfs/dbraw/zinc/46/64/90/344466490.db2.gz QIZXDUGOKRPLQO-UHFFFAOYSA-N 1 0 228.295 2.375 20 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C=C(CC)C[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000358503695 344565762 /nfs/dbraw/zinc/56/57/62/344565762.db2.gz DOKPOAVWEOYKOZ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000259396056 344610919 /nfs/dbraw/zinc/61/09/19/344610919.db2.gz XIICGEFTKBYSMG-GFCCVEGCSA-N 1 0 215.300 2.207 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119840965 344615911 /nfs/dbraw/zinc/61/59/11/344615911.db2.gz XVOLTUDJXSJELS-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1nncn1CC ZINC000678590370 488269067 /nfs/dbraw/zinc/26/90/67/488269067.db2.gz VBANMXWQRKRDML-NWDGAFQWSA-N 1 0 236.363 2.031 20 30 BEEDRO CO[C@@H]1C[N@H+](CC2(CC#N)CC2)CC[C@H]1C ZINC000300020354 344654362 /nfs/dbraw/zinc/65/43/62/344654362.db2.gz UKUXMRSNVFJZMQ-VXGBXAGGSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@H](CCF)C1 ZINC000626002605 344663353 /nfs/dbraw/zinc/66/33/53/344663353.db2.gz QUFGKKPUCVDIGP-LLVKDONJSA-N 1 0 201.285 2.013 20 30 BEEDRO 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BEEDRO CN(CCCC#N)Cc1cc(Cl)cn1C ZINC000120120030 344879029 /nfs/dbraw/zinc/87/90/29/344879029.db2.gz RBAXESXCGFDCLT-UHFFFAOYSA-N 1 0 225.723 2.414 20 30 BEEDRO CC(C)(C)CN(CCC#N)CCn1ccnc1 ZINC000120552774 344893933 /nfs/dbraw/zinc/89/39/33/344893933.db2.gz ANRAUMXHKBUZBE-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cncc(OC)c1C ZINC000631148051 344924575 /nfs/dbraw/zinc/92/45/75/344924575.db2.gz CCEMPQZXICHOGO-UHFFFAOYSA-N 1 0 220.316 2.454 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153645118 344938397 /nfs/dbraw/zinc/93/83/97/344938397.db2.gz GLLDOFQRUOEHIE-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000382032142 347085422 /nfs/dbraw/zinc/08/54/22/347085422.db2.gz DXHZJQPQLLKMHM-SRVKXCTJSA-N 1 0 224.373 2.411 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153739310 344962954 /nfs/dbraw/zinc/96/29/54/344962954.db2.gz SZMWUBMNAJRTEB-HNNXBMFYSA-N 1 0 242.322 2.171 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OC)cc1 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C#C[C@H]([NH2+]Cc1c(C)nn(CC)c1C)C(C)C ZINC000289513994 345183405 /nfs/dbraw/zinc/18/34/05/345183405.db2.gz OXAUEMDNTXGLTL-AWEZNQCLSA-N 1 0 233.359 2.267 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000158319135 345320019 /nfs/dbraw/zinc/32/00/19/345320019.db2.gz BILWCSHZRTUFTR-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+](C)C ZINC000635263045 345290588 /nfs/dbraw/zinc/29/05/88/345290588.db2.gz JDZLDGQNSXTKSQ-CYBMUJFWSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000449099496 201808366 /nfs/dbraw/zinc/80/83/66/201808366.db2.gz NUHYTGYCTQMLAA-QWHCGFSZSA-N 1 0 236.363 2.391 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635415592 345355991 /nfs/dbraw/zinc/35/59/91/345355991.db2.gz DGVNXOJWTUQLKN-LLVKDONJSA-N 1 0 248.326 2.140 20 30 BEEDRO Cc1cccc(C[NH2+]CCCCC#N)c1O ZINC000133129138 345361630 /nfs/dbraw/zinc/36/16/30/345361630.db2.gz LMJPGOOEWFIJLK-UHFFFAOYSA-N 1 0 218.300 2.484 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccccc1F ZINC000133624506 345380767 /nfs/dbraw/zinc/38/07/67/345380767.db2.gz RMJPOAPOFVECGY-UHFFFAOYSA-N 1 0 210.252 2.271 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)C[C@H](O)CC ZINC000134507847 345414040 /nfs/dbraw/zinc/41/40/40/345414040.db2.gz LWSJWSZWVAHFEO-OAHLLOKOSA-N 1 0 231.339 2.283 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCCS(C)(=O)=O ZINC000449133142 201815823 /nfs/dbraw/zinc/81/58/23/201815823.db2.gz XGDLJGRRWFFRQK-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO CCN(C[C@H](C)C#N)[C@H](C)c1cnccn1 ZINC000248636180 345438399 /nfs/dbraw/zinc/43/83/99/345438399.db2.gz VOQXHDGHKCAPHO-GHMZBOCLSA-N 1 0 218.304 2.019 20 30 BEEDRO C=CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000080718696 345446909 /nfs/dbraw/zinc/44/69/09/345446909.db2.gz XKOXFUSNBSJPEW-YHWZYXNKSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@H]1CCOC1 ZINC000449159905 201824251 /nfs/dbraw/zinc/82/42/51/201824251.db2.gz JOWDFGRALZBISH-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO CCn1cc(C[NH2+]C2CCC(C)(C#N)CC2)cn1 ZINC000449163205 201824505 /nfs/dbraw/zinc/82/45/05/201824505.db2.gz VITUVOXDIOYJAW-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO CC[N@@H+](CCC#N)CCCCCn1cccn1 ZINC000081040352 345459376 /nfs/dbraw/zinc/45/93/76/345459376.db2.gz FPYXJDWBFKBINR-UHFFFAOYSA-N 1 0 234.347 2.289 20 30 BEEDRO CCOCCCN(CCC#N)Cc1ccco1 ZINC000081517969 345475941 /nfs/dbraw/zinc/47/59/41/345475941.db2.gz VNWUXUUTSMMOOT-UHFFFAOYSA-N 1 0 236.315 2.422 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000091507642 345595580 /nfs/dbraw/zinc/59/55/80/345595580.db2.gz IXGQXWBSSGIVGB-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000091508867 345595724 /nfs/dbraw/zinc/59/57/24/345595724.db2.gz CUHODYXPFGNOLY-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092471614 345624387 /nfs/dbraw/zinc/62/43/87/345624387.db2.gz JVQGTNFJIJFZNY-SECBINFHSA-N 1 0 206.314 2.462 20 30 BEEDRO Cn1ccc(CNC(=[NH2+])NC2CCCCCC2)c1 ZINC000092278077 345626999 /nfs/dbraw/zinc/62/69/99/345626999.db2.gz ZMOKJURCZGNRIJ-UHFFFAOYSA-N 1 0 248.374 2.152 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)C1CCC1 ZINC000449198861 201834864 /nfs/dbraw/zinc/83/48/64/201834864.db2.gz AERJSOMGQUTBNB-YPMHNXCESA-N 1 0 211.349 2.339 20 30 BEEDRO CC1(C)CC[C@@H](CNC(N)=[NH2+])c2ccccc21 ZINC000093882585 345666444 /nfs/dbraw/zinc/66/64/44/345666444.db2.gz DLQQDOBEHBXTMX-JTQLQIEISA-N 1 0 231.343 2.115 20 30 BEEDRO Cc1ncccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381373023 345647229 /nfs/dbraw/zinc/64/72/29/345647229.db2.gz IYABJGJKGLYADH-AAEUAGOBSA-N 1 0 215.300 2.172 20 30 BEEDRO C[N@H+](CC(C)(C)O)CC(C)(C)CCC#N ZINC000093414785 345670444 /nfs/dbraw/zinc/67/04/44/345670444.db2.gz DKWIHYDSNHAPSU-UHFFFAOYSA-N 1 0 212.337 2.019 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@@H](C)S1 ZINC000070383294 345694759 /nfs/dbraw/zinc/69/47/59/345694759.db2.gz BVDNEPXUJBOIMR-GHMZBOCLSA-N 1 0 247.367 2.279 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000435740265 537909929 /nfs/dbraw/zinc/90/99/29/537909929.db2.gz JHEPBXBERLTKMX-LSDHHAIUSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCC[C@H]1C ZINC000449245413 201846329 /nfs/dbraw/zinc/84/63/29/201846329.db2.gz ASFUJONMNNCCPK-UPJWGTAASA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOCc1ccccc1 ZINC000307481829 345800689 /nfs/dbraw/zinc/80/06/89/345800689.db2.gz QAYAXWIJRHQHFJ-AWEZNQCLSA-N 1 0 232.327 2.485 20 30 BEEDRO C[N@H+](CCCC#N)C1Cc2ccccc2C1 ZINC000141205428 345838871 /nfs/dbraw/zinc/83/88/71/345838871.db2.gz UZHLJFHBJWHOCQ-UHFFFAOYSA-N 1 0 214.312 2.389 20 30 BEEDRO C=CC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000142331354 345868278 /nfs/dbraw/zinc/86/82/78/345868278.db2.gz JXSOLHNVJWAWII-CQSZACIVSA-N 1 0 228.339 2.309 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[NH+](CC)CC ZINC000620858865 345869593 /nfs/dbraw/zinc/86/95/93/345869593.db2.gz RDSNSHPFPNWGEJ-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CCOC[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449259020 201852336 /nfs/dbraw/zinc/85/23/36/201852336.db2.gz PCJVNDFKAHHPDZ-HIFPTAJRSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1cccc(CC[NH2+]CCCC#N)c1 ZINC000051670272 345925850 /nfs/dbraw/zinc/92/58/50/345925850.db2.gz MPRFNRZJVRMSFR-UHFFFAOYSA-N 1 0 202.301 2.431 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CSC[C@H]1C ZINC000449298298 201860469 /nfs/dbraw/zinc/86/04/69/201860469.db2.gz HGIVCYNOVGNYQC-NDBYEHHHSA-N 1 0 241.400 2.309 20 30 BEEDRO C[C@H](Cc1ccoc1)[NH2+]CC1(CC#N)CC1 ZINC000449304131 201863729 /nfs/dbraw/zinc/86/37/29/201863729.db2.gz ZWKICNHGYGNYCA-LLVKDONJSA-N 1 0 218.300 2.494 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCC[C@@H]1CCOC1 ZINC000400949168 345931845 /nfs/dbraw/zinc/93/18/45/345931845.db2.gz WQWGHRONNSDZAM-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000289591959 345937988 /nfs/dbraw/zinc/93/79/88/345937988.db2.gz CBNAHFMAANDROB-WDEREUQCSA-N 1 0 207.321 2.143 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC(CCO)CC2)cc1 ZINC000400985057 346026314 /nfs/dbraw/zinc/02/63/14/346026314.db2.gz UYLGXIMQYIZMQB-UHFFFAOYSA-N 1 0 244.338 2.153 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)CCC(=O)OC ZINC000177032609 535021091 /nfs/dbraw/zinc/02/10/91/535021091.db2.gz LKEDZBGUYFADBE-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(CC)o1 ZINC000289618820 346037084 /nfs/dbraw/zinc/03/70/84/346037084.db2.gz DKWLZPLAYPWWFT-VHSXEESVSA-N 1 0 209.289 2.040 20 30 BEEDRO C=CCC1(NC(=O)[C@@H](C)[NH+](C)C)CCCCC1 ZINC000635993829 346144320 /nfs/dbraw/zinc/14/43/20/346144320.db2.gz BFLOIJRXXFPKGI-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628236047 346190298 /nfs/dbraw/zinc/19/02/98/346190298.db2.gz NUDGXMWWDXQCNQ-SECBINFHSA-N 1 0 219.275 2.212 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000289652599 346235819 /nfs/dbraw/zinc/23/58/19/346235819.db2.gz GIGLYLIXPRJSDH-OLZOCXBDSA-N 1 0 205.301 2.274 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1 ZINC000289652607 346235902 /nfs/dbraw/zinc/23/59/02/346235902.db2.gz GIGLYLIXPRJSDH-STQMWFEESA-N 1 0 205.301 2.274 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000289373160 346257833 /nfs/dbraw/zinc/25/78/33/346257833.db2.gz LREUVUBLXYALRS-LLVKDONJSA-N 1 0 203.285 2.115 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000289373162 346258098 /nfs/dbraw/zinc/25/80/98/346258098.db2.gz LREUVUBLXYALRS-NSHDSACASA-N 1 0 203.285 2.115 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(SC)o1 ZINC000641745785 362667213 /nfs/dbraw/zinc/66/72/13/362667213.db2.gz BSGVMYUEABWDML-SNVBAGLBSA-N 1 0 241.356 2.276 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(=O)c(OC)co1 ZINC000268560338 166233182 /nfs/dbraw/zinc/23/31/82/166233182.db2.gz OYVWCPPJOWHZNU-UHFFFAOYSA-N 1 0 237.299 2.046 20 30 BEEDRO C=CCCCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636139049 346331200 /nfs/dbraw/zinc/33/12/00/346331200.db2.gz KSCYBNIRMPSRKF-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636089921 346315575 /nfs/dbraw/zinc/31/55/75/346315575.db2.gz BZVGZBWTWOPNEK-MNOVXSKESA-N 1 0 238.375 2.044 20 30 BEEDRO N#CCCCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000366492636 323121386 /nfs/dbraw/zinc/12/13/86/323121386.db2.gz VWRDFDALTWYPCU-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(C)c(C)c1 ZINC000641769008 362708447 /nfs/dbraw/zinc/70/84/47/362708447.db2.gz NTHRUTJDQFRMSU-HNNXBMFYSA-N 1 0 231.339 2.167 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CC#CC)C1 ZINC000641766721 362699724 /nfs/dbraw/zinc/69/97/24/362699724.db2.gz AVTRJLDUWKHMIQ-RDBSUJKOSA-N 1 0 221.344 2.095 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]CC(C)(C)c1ccccc1 ZINC000641766871 362699842 /nfs/dbraw/zinc/69/98/42/362699842.db2.gz CRNJVCWTSGORRH-HNNXBMFYSA-N 1 0 245.366 2.328 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC000636250180 346367953 /nfs/dbraw/zinc/36/79/53/346367953.db2.gz VJKRGQINCOJJHP-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cnn(CC)c1 ZINC000281520002 346361916 /nfs/dbraw/zinc/36/19/16/346361916.db2.gz XVQABTLIHLPZBT-GFCCVEGCSA-N 1 0 207.321 2.347 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC(C)(C)C[C@H]1C ZINC000641767217 362701284 /nfs/dbraw/zinc/70/12/84/362701284.db2.gz HOGAQZLBVQRCNT-JHJVBQTASA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc2occc2c1 ZINC000641767332 362701457 /nfs/dbraw/zinc/70/14/57/362701457.db2.gz IXRIWQYBTJTERW-CQSZACIVSA-N 1 0 243.306 2.297 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C=C/c1ccccc1 ZINC000641769595 362704423 /nfs/dbraw/zinc/70/44/23/362704423.db2.gz VTYKJEYQCHLYNC-JOZWUWCOSA-N 1 0 229.323 2.064 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCC(C)(C)CC1 ZINC000641768704 362706679 /nfs/dbraw/zinc/70/66/79/362706679.db2.gz GITCTZDVTCPZRS-ZDUSSCGKSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC1(CCOC)CCCCC1 ZINC000641774706 362714722 /nfs/dbraw/zinc/71/47/22/362714722.db2.gz PMHIJTHOBRZXRW-CYBMUJFWSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCOC[C@@H]1OC ZINC000449456213 201930724 /nfs/dbraw/zinc/93/07/24/201930724.db2.gz MBXDVPVXNYXLBU-XUXIUFHCSA-N 1 0 241.375 2.228 20 30 BEEDRO CCC#C[C@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000679218344 488318187 /nfs/dbraw/zinc/31/81/87/488318187.db2.gz AXILAHTXMPCJOD-QWHCGFSZSA-N 1 0 209.333 2.145 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000449470369 201935263 /nfs/dbraw/zinc/93/52/63/201935263.db2.gz AQCZKRJWBYYOFP-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO COc1cccc(CN(CCC#N)C(C)C)n1 ZINC000070093663 349965594 /nfs/dbraw/zinc/96/55/94/349965594.db2.gz NHMLTNYHWLJXCQ-UHFFFAOYSA-N 1 0 233.315 2.214 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000387801526 347093450 /nfs/dbraw/zinc/09/34/50/347093450.db2.gz ANNPOYMEMJZBPX-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C[C@@H](CC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000580079127 346513014 /nfs/dbraw/zinc/51/30/14/346513014.db2.gz SYSNKJFVSYICKE-STQMWFEESA-N 1 0 246.354 2.152 20 30 BEEDRO C=C1CC[NH+](CCOCC2CCC2)CC1 ZINC000419204907 192103603 /nfs/dbraw/zinc/10/36/03/192103603.db2.gz JWGVMVCPYOICBB-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000309558581 347101359 /nfs/dbraw/zinc/10/13/59/347101359.db2.gz KIABWHHTANBASY-ZYHUDNBSSA-N 1 0 219.332 2.211 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(C#N)CC2)c(C)n1 ZINC000186888004 346543585 /nfs/dbraw/zinc/54/35/85/346543585.db2.gz YVBZVIMNNUQUPY-UHFFFAOYSA-N 1 0 229.327 2.434 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)CSC ZINC000580182954 346625982 /nfs/dbraw/zinc/62/59/82/346625982.db2.gz MJSOSLAZVMPPES-WDEREUQCSA-N 1 0 217.378 2.045 20 30 BEEDRO CC1(C)C[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000580185850 346634398 /nfs/dbraw/zinc/63/43/98/346634398.db2.gz YQDWNEWZFMBEPZ-MNOVXSKESA-N 1 0 205.305 2.066 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000577167381 365849480 /nfs/dbraw/zinc/84/94/80/365849480.db2.gz DBJCPBZQEQKGTN-NSHDSACASA-N 1 0 215.300 2.328 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000343260396 166246553 /nfs/dbraw/zinc/24/65/53/166246553.db2.gz QGFCGESTNBDUAJ-CHWSQXEVSA-N 1 0 240.391 2.434 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)C(C)(C)O ZINC000589342970 346690864 /nfs/dbraw/zinc/69/08/64/346690864.db2.gz XYHMNMWVMXMJCT-QMTHXVAHSA-N 1 0 244.338 2.295 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000345350570 365858588 /nfs/dbraw/zinc/85/85/88/365858588.db2.gz HWKATLQFBXQOJK-VXGBXAGGSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccnc1 ZINC000181652883 346758955 /nfs/dbraw/zinc/75/89/55/346758955.db2.gz WKJBKSLPUPXVJP-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC2(C)CCC2)CC1 ZINC000590114121 346774048 /nfs/dbraw/zinc/77/40/48/346774048.db2.gz PKSDGMDCQHILDB-CQSZACIVSA-N 1 0 249.402 2.342 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H]1CC[C@H](C#N)C1 ZINC000590154168 346781177 /nfs/dbraw/zinc/78/11/77/346781177.db2.gz KNXXRYBFBUQRQR-RWMBFGLXSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(Br)CNc1cc[nH+]cc1 ZINC000168337754 346733506 /nfs/dbraw/zinc/73/35/06/346733506.db2.gz MUSOMFQWVOHHGT-UHFFFAOYSA-N 1 0 213.078 2.402 20 30 BEEDRO C[C@@H](O)C[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000589753095 346733874 /nfs/dbraw/zinc/73/38/74/346733874.db2.gz UJNOLQOHBYHRLG-GFCCVEGCSA-N 1 0 246.354 2.300 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000577173288 365856623 /nfs/dbraw/zinc/85/66/23/365856623.db2.gz NVFMMXIBWVLSHM-CYBMUJFWSA-N 1 0 215.300 2.175 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cn(C)nc1C ZINC000161645273 133647335 /nfs/dbraw/zinc/64/73/35/133647335.db2.gz SCHNIHDPSLUTMY-VHSXEESVSA-N 1 0 207.321 2.344 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](n3ccnc3)C2)C1 ZINC000590158598 346782836 /nfs/dbraw/zinc/78/28/36/346782836.db2.gz DSTZXWKNIYLLSE-HZSPNIEDSA-N 1 0 244.342 2.212 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000590169316 346786991 /nfs/dbraw/zinc/78/69/91/346786991.db2.gz NHVSEOGXTRVBKY-VHSXEESVSA-N 1 0 226.270 2.410 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000387960977 347135401 /nfs/dbraw/zinc/13/54/01/347135401.db2.gz YWHMGJOYXKQXFV-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO N#CCCCC[N@@H+]1CCOCC2(CCC2)C1 ZINC000363886263 347148767 /nfs/dbraw/zinc/14/87/67/347148767.db2.gz KJXVCSQMFAEFPV-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000601289604 347155972 /nfs/dbraw/zinc/15/59/72/347155972.db2.gz PVZLOAOZWKJKDM-XQQFMLRXSA-N 1 0 224.348 2.209 20 30 BEEDRO CN(Cc1ccccc1C#N)C[C@H]1CCC[N@@H+]1C ZINC000092628443 347166852 /nfs/dbraw/zinc/16/68/52/347166852.db2.gz GXXSSZHNPCNJSF-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(C)cc1 ZINC000309884393 347193328 /nfs/dbraw/zinc/19/33/28/347193328.db2.gz XKHQOOGGXVGYHT-AWEZNQCLSA-N 1 0 219.328 2.269 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000601321287 347201917 /nfs/dbraw/zinc/20/19/17/347201917.db2.gz OCZSRFYWJQFWFD-JHJVBQTASA-N 1 0 244.342 2.390 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000185711553 347210660 /nfs/dbraw/zinc/21/06/60/347210660.db2.gz VQSNPCHBOZAYPH-DGCLKSJQSA-N 1 0 245.326 2.262 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000336748229 347179632 /nfs/dbraw/zinc/17/96/32/347179632.db2.gz SNMJLRHSCONIMZ-GUBZILKMSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000309848866 347186588 /nfs/dbraw/zinc/18/65/88/347186588.db2.gz WIPWFGNFYAECTG-CLRIEMFWSA-N 1 0 223.360 2.482 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310030652 347220699 /nfs/dbraw/zinc/22/06/99/347220699.db2.gz QZRFIBHIERXXDP-RVMXOQNASA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCN(C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000310110762 347233596 /nfs/dbraw/zinc/23/35/96/347233596.db2.gz FJOUQDSTCCYRBO-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C[N@H+](CCC#N)C[C@H]1CCC(F)(F)C1 ZINC000300814278 347259261 /nfs/dbraw/zinc/25/92/61/347259261.db2.gz FPDKLRBFMSTZDB-VIFPVBQESA-N 1 0 202.248 2.267 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000300898542 347275173 /nfs/dbraw/zinc/27/51/73/347275173.db2.gz IOUHZFHXYDFFGF-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO CCC(C)(C)CNC(=[NH2+])Nc1ccccn1 ZINC000190534484 347331845 /nfs/dbraw/zinc/33/18/45/347331845.db2.gz ZRADWBHYHMVVMQ-UHFFFAOYSA-N 1 0 220.320 2.244 20 30 BEEDRO CO[C@@H](C)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000189388936 347302448 /nfs/dbraw/zinc/30/24/48/347302448.db2.gz UMWVUIPNOGZVJD-NSHDSACASA-N 1 0 235.331 2.065 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000449485967 201940889 /nfs/dbraw/zinc/94/08/89/201940889.db2.gz PMZIASLZWMTFRM-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccccc1)C1CCOCC1 ZINC000364312929 347369055 /nfs/dbraw/zinc/36/90/55/347369055.db2.gz ZAFKDBCNXYKBKN-HNNXBMFYSA-N 1 0 229.323 2.377 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000193297090 347394891 /nfs/dbraw/zinc/39/48/91/347394891.db2.gz VLIBEUFMIIKGBJ-RWMBFGLXSA-N 1 0 248.326 2.375 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H](CO)CC2CC2)CC1 ZINC000590647063 347485376 /nfs/dbraw/zinc/48/53/76/347485376.db2.gz BWUAVGSFDFTQFR-MOKVOYLWSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CO)c1ccccc1C ZINC000380102925 365880773 /nfs/dbraw/zinc/88/07/73/365880773.db2.gz MKJCEGGDNKPJCK-ZDUSSCGKSA-N 1 0 205.301 2.194 20 30 BEEDRO CCC#C[C@@H](C)N1CC[S@@](=O)C(C)(C)CC1 ZINC000590760495 347522988 /nfs/dbraw/zinc/52/29/88/347522988.db2.gz CRXFCNRBAVYUQQ-MLGOLLRUSA-N 1 0 241.400 2.021 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765006 347529899 /nfs/dbraw/zinc/52/98/99/347529899.db2.gz HCDYUDUEDVYZOX-HYFYGGESSA-N 1 0 249.354 2.082 20 30 BEEDRO C[C@@H](NC[C@@H](C)[NH+](C)C)c1ccc(C#N)cc1F ZINC000358576284 187378689 /nfs/dbraw/zinc/37/86/89/187378689.db2.gz TXHZGPRBWPJUCH-GHMZBOCLSA-N 1 0 249.333 2.298 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000571636761 323150264 /nfs/dbraw/zinc/15/02/64/323150264.db2.gz PGFHZVPEWRVEMI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000616995065 347572160 /nfs/dbraw/zinc/57/21/60/347572160.db2.gz KGHVSRNBLNCAAB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)CCC#N ZINC000591011276 347605450 /nfs/dbraw/zinc/60/54/50/347605450.db2.gz NUNMCSJVWLMMQG-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[N@H+](Cc1cccnc1)[C@H]1CC[C@@H](C#N)C1 ZINC000334349298 347588887 /nfs/dbraw/zinc/58/88/87/347588887.db2.gz AAGYTKSGQZELHI-YPMHNXCESA-N 1 0 215.300 2.206 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccn1 ZINC000590973051 347598937 /nfs/dbraw/zinc/59/89/37/347598937.db2.gz RQAGAHNJNGSVMC-KWCYVHTRSA-N 1 0 227.311 2.231 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000338564577 166265711 /nfs/dbraw/zinc/26/57/11/166265711.db2.gz AKTRSEVWFQVVOE-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000591357709 347644651 /nfs/dbraw/zinc/64/46/51/347644651.db2.gz VWLALQNSTLVEHH-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1nsc(N[C@H]2CCC[C@H]([NH3+])C2)c1C#N ZINC000591435820 347660062 /nfs/dbraw/zinc/66/00/62/347660062.db2.gz QSPZJNHWWCODOK-IUCAKERBSA-N 1 0 236.344 2.005 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000591026221 347611080 /nfs/dbraw/zinc/61/10/80/347611080.db2.gz SIISJFDAZDRPHI-NXEZZACHSA-N 1 0 232.274 2.382 20 30 BEEDRO CO[C@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000591026595 347611260 /nfs/dbraw/zinc/61/12/60/347611260.db2.gz BVCBXMVJTSDIMO-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591055379 347612011 /nfs/dbraw/zinc/61/20/11/347612011.db2.gz ICABOCZAMFGFHE-OCCSQVGLSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H]1CCC[NH2+]1 ZINC000591570991 347676092 /nfs/dbraw/zinc/67/60/92/347676092.db2.gz PRZDRGOBEHITAW-ZOWXZIJZSA-N 1 0 243.354 2.349 20 30 BEEDRO N#Cc1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000591573467 347677001 /nfs/dbraw/zinc/67/70/01/347677001.db2.gz ZCJVZVHEHJXRGN-STQMWFEESA-N 1 0 249.745 2.181 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000591641449 347682224 /nfs/dbraw/zinc/68/22/24/347682224.db2.gz HGCAGWRUGYFTBS-QNWHQSFQSA-N 1 0 222.332 2.226 20 30 BEEDRO CC(C)(C[NH2+]CCC#N)[C@H]1CCCCO1 ZINC000591753744 347690912 /nfs/dbraw/zinc/69/09/12/347690912.db2.gz IFTKZBBBDRVQHZ-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO N#CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000591759095 347692136 /nfs/dbraw/zinc/69/21/36/347692136.db2.gz DMYMOTSVHBETIF-UHFFFAOYSA-N 1 0 249.289 2.048 20 30 BEEDRO Cc1ccccc1C[NH+]1CCN(CCC#N)CC1 ZINC000045912923 179274801 /nfs/dbraw/zinc/27/48/01/179274801.db2.gz PHYFPRFMVDMCFZ-UHFFFAOYSA-N 1 0 243.354 2.026 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000591759662 347692706 /nfs/dbraw/zinc/69/27/06/347692706.db2.gz SKVHXCRMULFJSC-AWEZNQCLSA-N 1 0 246.354 2.119 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H]1Cc2ccccc21 ZINC000591728975 347693230 /nfs/dbraw/zinc/69/32/30/347693230.db2.gz BBFQACONCJGIBJ-GXTWGEPZSA-N 1 0 239.322 2.359 20 30 BEEDRO CCC(CC)C[NH2+]C[C@H](C#N)CCC#N ZINC000591734600 347693927 /nfs/dbraw/zinc/69/39/27/347693927.db2.gz WMRMAKPJXCTMIV-LBPRGKRZSA-N 1 0 207.321 2.456 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000591845583 347706115 /nfs/dbraw/zinc/70/61/15/347706115.db2.gz PQWFYTUBLUTLDS-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000419182980 192108159 /nfs/dbraw/zinc/10/81/59/192108159.db2.gz LZRVLCPGKJGYRG-CYBMUJFWSA-N 1 0 246.354 2.405 20 30 BEEDRO N#Cc1cccc(CC[NH2+][C@H]2CCCOCC2)c1 ZINC000343540941 133690877 /nfs/dbraw/zinc/69/08/77/133690877.db2.gz XDRIDWMRUFSJBH-HNNXBMFYSA-N 1 0 244.338 2.259 20 30 BEEDRO N#Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)s1 ZINC000592357218 347772397 /nfs/dbraw/zinc/77/23/97/347772397.db2.gz VDIYNLSUTRYEDJ-QMMMGPOBSA-N 1 0 246.295 2.094 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000592366635 347774698 /nfs/dbraw/zinc/77/46/98/347774698.db2.gz FWAORIAVNZXFQZ-XVSSEFHLSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2(c3cccc(C#N)c3)CC2)CO1 ZINC000592366080 347775102 /nfs/dbraw/zinc/77/51/02/347775102.db2.gz RUENAJMYLVHYDD-BXUZGUMPSA-N 1 0 242.322 2.314 20 30 BEEDRO COCC1(CC[NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000592392552 347776222 /nfs/dbraw/zinc/77/62/22/347776222.db2.gz KKBGFBURDUFAEG-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000592395986 347776817 /nfs/dbraw/zinc/77/68/17/347776817.db2.gz DKEWMLUJFXEXIT-IGQOVBAYSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ccccc1 ZINC000449519054 201949001 /nfs/dbraw/zinc/94/90/01/201949001.db2.gz LBIRJHJEUAKUOD-KGLIPLIRSA-N 1 0 217.312 2.162 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC2=CCCC2)CC1 ZINC000592086017 347730641 /nfs/dbraw/zinc/73/06/41/347730641.db2.gz XLBOPCAEWUCRNS-OAHLLOKOSA-N 1 0 247.386 2.262 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccncc2C#N)C1 ZINC000592055749 347731482 /nfs/dbraw/zinc/73/14/82/347731482.db2.gz FIQGXWDNBLAIGX-TXEJJXNPSA-N 1 0 229.327 2.431 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC1CCOCC1 ZINC000449516574 201949653 /nfs/dbraw/zinc/94/96/53/201949653.db2.gz BDAOAEIGROFONR-YUTCNCBUSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCN(Cc1ccncc1C#N)C1CC1 ZINC000592094435 347740098 /nfs/dbraw/zinc/74/00/98/347740098.db2.gz VBCNXXBJPOIEDN-UHFFFAOYSA-N 1 0 213.284 2.104 20 30 BEEDRO C[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)c1ccccc1 ZINC000592149992 347740416 /nfs/dbraw/zinc/74/04/16/347740416.db2.gz BBVMMSSXJYBRSS-ZFWWWQNUSA-N 1 0 244.338 2.141 20 30 BEEDRO Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149114 347740779 /nfs/dbraw/zinc/74/07/79/347740779.db2.gz JBFBUTJDDNAOSA-UKRRQHHQSA-N 1 0 244.338 2.407 20 30 BEEDRO C[C@H](C[N@@H+]1CC[C@](O)(CC#N)C1)c1ccccc1 ZINC000592149991 347740919 /nfs/dbraw/zinc/74/09/19/347740919.db2.gz BBVMMSSXJYBRSS-UKRRQHHQSA-N 1 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BEEDRO CC(C)C[N@H+](C)CCCNc1cccnc1C#N ZINC000593480131 347896459 /nfs/dbraw/zinc/89/64/59/347896459.db2.gz MOELYKNOYUSTSW-UHFFFAOYSA-N 1 0 246.358 2.343 20 30 BEEDRO Cc1cc(NCC2(C#N)CCCC2)cc[nH+]1 ZINC000593484143 347897261 /nfs/dbraw/zinc/89/72/61/347897261.db2.gz CURZILVVWDZXFX-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc(C#N)cc1 ZINC000593681365 347932354 /nfs/dbraw/zinc/93/23/54/347932354.db2.gz FTKDHFPXZJUKAT-GFCCVEGCSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCSCCCO)C1 ZINC000593594838 347915433 /nfs/dbraw/zinc/91/54/33/347915433.db2.gz FBMDQMDGBRQFCU-OLZOCXBDSA-N 1 0 243.416 2.436 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)[S@](C)=O)C1 ZINC000593613030 347920963 /nfs/dbraw/zinc/92/09/63/347920963.db2.gz PJAORMPSKRKGIK-ZWUHOBOKSA-N 1 0 243.416 2.478 20 30 BEEDRO C[C@@H](O)CC[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594033285 347993500 /nfs/dbraw/zinc/99/35/00/347993500.db2.gz MGGRWFGPCRTIBB-GFCCVEGCSA-N 1 0 244.338 2.298 20 30 BEEDRO C=CC[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594042264 347995316 /nfs/dbraw/zinc/99/53/16/347995316.db2.gz SKTHTXWORCWVFH-NSHDSACASA-N 1 0 213.321 2.128 20 30 BEEDRO Cc1cc(C[N@@H+](C[C@@H](C)O)C2CC2)ccc1C#N ZINC000594061850 347996555 /nfs/dbraw/zinc/99/65/55/347996555.db2.gz CHRQWNLWUUAIAR-GFCCVEGCSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@H](O)C[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000594061947 347996623 /nfs/dbraw/zinc/99/66/23/347996623.db2.gz DTHVMEOSJXCYEA-LBPRGKRZSA-N 1 0 244.338 2.098 20 30 BEEDRO C[C@H](O)C[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000594064258 347997575 /nfs/dbraw/zinc/99/75/75/347997575.db2.gz MASLUNITKAAOJJ-JTQLQIEISA-N 1 0 248.301 2.043 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCn3ccnc32)C1 ZINC000594506681 348064916 /nfs/dbraw/zinc/06/49/16/348064916.db2.gz WJTBEFJROAIODN-AVGNSLFASA-N 1 0 244.342 2.390 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000594507010 348065101 /nfs/dbraw/zinc/06/51/01/348065101.db2.gz JQGXESFBGCYDDE-OKILXGFUSA-N 1 0 244.338 2.101 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000594582814 348077048 /nfs/dbraw/zinc/07/70/48/348077048.db2.gz JBRWRIOYDNQROQ-OLZOCXBDSA-N 1 0 247.317 2.057 20 30 BEEDRO Cc1ccccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425688 348052031 /nfs/dbraw/zinc/05/20/31/348052031.db2.gz LZLHFIYCMMCMTJ-LBPRGKRZSA-N 1 0 245.326 2.345 20 30 BEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1F ZINC000594426678 348053240 /nfs/dbraw/zinc/05/32/40/348053240.db2.gz QWNLWYHTJDWBSL-NSHDSACASA-N 1 0 249.289 2.175 20 30 BEEDRO CC[C@@H](C)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000594714014 348104863 /nfs/dbraw/zinc/10/48/63/348104863.db2.gz WDXJQNNXFIBTAV-VXGBXAGGSA-N 1 0 207.321 2.456 20 30 BEEDRO C[C@H]1C[NH2+]C[C@@H](NCC2(C#N)CCCCC2)C1 ZINC000594738514 348110656 /nfs/dbraw/zinc/11/06/56/348110656.db2.gz FYPYIWPCUAQGPF-OLZOCXBDSA-N 1 0 235.375 2.048 20 30 BEEDRO N#CC1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000594740556 348111246 /nfs/dbraw/zinc/11/12/46/348111246.db2.gz YWRGWRLEUVAHQR-OLZOCXBDSA-N 1 0 235.375 2.320 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594609324 348081056 /nfs/dbraw/zinc/08/10/56/348081056.db2.gz KXEDKXCRCXMZGL-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594609857 348082541 /nfs/dbraw/zinc/08/25/41/348082541.db2.gz UMPGDZJPHBXQQJ-VIFPVBQESA-N 1 0 237.299 2.429 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000594610958 348082549 /nfs/dbraw/zinc/08/25/49/348082549.db2.gz AFUHNOQBLTYFFD-VHSXEESVSA-N 1 0 210.346 2.164 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000594938948 348142396 /nfs/dbraw/zinc/14/23/96/348142396.db2.gz XVWJMJWZIYVGHD-CLRIEMFWSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccnn2CC2CC2)CC1 ZINC000594938429 348142490 /nfs/dbraw/zinc/14/24/90/348142490.db2.gz WBIAFETWASFDET-UHFFFAOYSA-N 1 0 244.342 2.077 20 30 BEEDRO COCc1csc(C[NH2+]CCCC#N)c1 ZINC000594945324 348144980 /nfs/dbraw/zinc/14/49/80/348144980.db2.gz YYKKANAVDGJNEC-UHFFFAOYSA-N 1 0 224.329 2.288 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2CC2CC2)C1 ZINC000594950429 348147235 /nfs/dbraw/zinc/14/72/35/348147235.db2.gz LABCJZLDSFNIPN-OLZOCXBDSA-N 1 0 244.342 2.075 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CO1 ZINC000594953599 348148403 /nfs/dbraw/zinc/14/84/03/348148403.db2.gz IOWKVXOUPAKEOY-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CO1 ZINC000594955402 348149150 /nfs/dbraw/zinc/14/91/50/348149150.db2.gz OBAMCPIKOOXGLK-CABCVRRESA-N 1 0 244.338 2.258 20 30 BEEDRO Cc1cc(C[NH2+][C@H](CO)C2CCC2)ccc1C#N ZINC000594957881 348149903 /nfs/dbraw/zinc/14/99/03/348149903.db2.gz WFVQBAORCFBAHQ-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO C=CCCSCC[NH2+]CC1=CCCOC1 ZINC000594960140 348150339 /nfs/dbraw/zinc/15/03/39/348150339.db2.gz KUWDJPCACAMIPB-UHFFFAOYSA-N 1 0 227.373 2.232 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cnc(C)nc1 ZINC000594959933 348150384 /nfs/dbraw/zinc/15/03/84/348150384.db2.gz GKFLOEGRAFQFDM-UHFFFAOYSA-N 1 0 237.372 2.184 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000594960342 348150822 /nfs/dbraw/zinc/15/08/22/348150822.db2.gz OOIWYRZVXUYGBF-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000594960429 348150842 /nfs/dbraw/zinc/15/08/42/348150842.db2.gz QGSPCVAVZPYTKS-IJLUTSLNSA-N 1 0 229.389 2.451 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000594960850 348151066 /nfs/dbraw/zinc/15/10/66/348151066.db2.gz XQYRONPXYVGHGY-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CO1 ZINC000594962333 348151545 /nfs/dbraw/zinc/15/15/45/348151545.db2.gz ZTCYNCXRUWQHAP-STQMWFEESA-N 1 0 248.301 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CSCCF ZINC000595041455 348178128 /nfs/dbraw/zinc/17/81/28/348178128.db2.gz LQOMUJNMEGBQIG-MXWKQRLJSA-N 1 0 233.352 2.011 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000594966821 348160687 /nfs/dbraw/zinc/16/06/87/348160687.db2.gz AVOURRDIATVMFI-QJPTWQEYSA-N 1 0 225.332 2.130 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000594968521 348161095 /nfs/dbraw/zinc/16/10/95/348161095.db2.gz QNNQHSRGHHKJFW-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CCCSCC[NH2+]Cc1nc(C)c[nH]1 ZINC000594968547 348161421 /nfs/dbraw/zinc/16/14/21/348161421.db2.gz RURVLIYHGLPIMO-UHFFFAOYSA-N 1 0 225.361 2.117 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C1(CO)CC1 ZINC000594968330 348161435 /nfs/dbraw/zinc/16/14/35/348161435.db2.gz FVHNBTVLMAJESK-HIFPTAJRSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)C2(CO)CC2)ccc1C#N ZINC000594968708 348161438 /nfs/dbraw/zinc/16/14/38/348161438.db2.gz IKPJVMMKPKTDMJ-GFCCVEGCSA-N 1 0 244.338 2.117 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CO1 ZINC000594982011 348164775 /nfs/dbraw/zinc/16/47/75/348164775.db2.gz WTPLFSZWAJFLGK-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(C#N)o2)O1 ZINC000594982939 348164930 /nfs/dbraw/zinc/16/49/30/348164930.db2.gz DBMVVJDOWKGTBY-JQWIXIFHSA-N 1 0 234.299 2.198 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)o2)CC1(F)F ZINC000594985290 348165646 /nfs/dbraw/zinc/16/56/46/348165646.db2.gz KODQDOCHNVJSLH-SNVBAGLBSA-N 1 0 226.226 2.286 20 30 BEEDRO Cc1cncc(CC[NH2+]CC(C)(C)CCC#N)n1 ZINC000594993265 348167815 /nfs/dbraw/zinc/16/78/15/348167815.db2.gz CZDPDDMTEZZWCC-UHFFFAOYSA-N 1 0 246.358 2.247 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCc2ccco2)o1 ZINC000594996510 348168484 /nfs/dbraw/zinc/16/84/84/348168484.db2.gz CVRSCOUYYGIIPP-UHFFFAOYSA-N 1 0 230.267 2.467 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)CSCCF ZINC000595021940 348172024 /nfs/dbraw/zinc/17/20/24/348172024.db2.gz HRVDMEMCUSJSGF-NSHDSACASA-N 1 0 235.368 2.260 20 30 BEEDRO N#CCC1(C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000595044952 348179351 /nfs/dbraw/zinc/17/93/51/348179351.db2.gz AOVUVWSYZHLGHL-UHFFFAOYSA-N 1 0 228.286 2.358 20 30 BEEDRO C[C@@H]1C[N@@H+](CCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000595288424 348213287 /nfs/dbraw/zinc/21/32/87/348213287.db2.gz IGEMVRKUUAIRJK-BETUJISGSA-N 1 0 244.338 2.210 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000595291847 348214543 /nfs/dbraw/zinc/21/45/43/348214543.db2.gz VNCPDOLRRDGOGM-UHFFFAOYSA-N 1 0 232.352 2.150 20 30 BEEDRO C#CC[N@H+](C)CCc1ccc(Cl)cc1 ZINC000172079042 187390279 /nfs/dbraw/zinc/39/02/79/187390279.db2.gz HITRLERZPBPRPB-UHFFFAOYSA-N 1 0 207.704 2.448 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)CC1CC1 ZINC000595296689 348215916 /nfs/dbraw/zinc/21/59/16/348215916.db2.gz MVMRHXMHIJORLX-UHFFFAOYSA-N 1 0 214.312 2.443 20 30 BEEDRO CN(CC[NH+]1CCCC1)[C@@H](C#N)c1ccccc1 ZINC000595312841 348223994 /nfs/dbraw/zinc/22/39/94/348223994.db2.gz OBLOELVEWLYQOU-HNNXBMFYSA-N 1 0 243.354 2.279 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CCc2ccc(C#N)cc2)CO1 ZINC000595056938 348182990 /nfs/dbraw/zinc/18/29/90/348182990.db2.gz UCRMHXYLKUUGQL-AWEZNQCLSA-N 1 0 244.338 2.258 20 30 BEEDRO CC[C@H](COCC1CC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595056579 348183249 /nfs/dbraw/zinc/18/32/49/348183249.db2.gz MJWUOGKPENXQNT-MJBXVCDLSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000595057813 348183316 /nfs/dbraw/zinc/18/33/16/348183316.db2.gz XMCKAEBVCCQWSJ-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@H]2CCCOCC2)cc1 ZINC000595056726 348183364 /nfs/dbraw/zinc/18/33/64/348183364.db2.gz VEPRVRYKUPSVTI-HNNXBMFYSA-N 1 0 244.338 2.259 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595059145 348183762 /nfs/dbraw/zinc/18/37/62/348183762.db2.gz LTCBIEMJAYENCF-CHWSQXEVSA-N 1 0 242.432 2.368 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000595058665 348183833 /nfs/dbraw/zinc/18/38/33/348183833.db2.gz IJUGWHAHKAKJSC-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)[C@H](C)OC ZINC000595060951 348184772 /nfs/dbraw/zinc/18/47/72/348184772.db2.gz WRICWAIHPMXYLR-QWRGUYRKSA-N 1 0 217.378 2.309 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000595061065 348185285 /nfs/dbraw/zinc/18/52/85/348185285.db2.gz XXYNXQAMIFUGLT-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO CC[C@H]([NH2+]C/C=C\CO)c1ccc(C#N)cc1 ZINC000595067606 348187350 /nfs/dbraw/zinc/18/73/50/348187350.db2.gz GXJJGDOXNKCYFX-NQHOJNORSA-N 1 0 230.311 2.147 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000595068276 348187402 /nfs/dbraw/zinc/18/74/02/348187402.db2.gz JDGSHAPOMVAAKG-OUAUKWLOSA-N 1 0 244.285 2.083 20 30 BEEDRO Cc1ccncc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595071270 348187986 /nfs/dbraw/zinc/18/79/86/348187986.db2.gz CAHVTHYQNNWFOT-TZMCWYRMSA-N 1 0 229.327 2.214 20 30 BEEDRO Cc1ccncc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595071269 348188232 /nfs/dbraw/zinc/18/82/32/348188232.db2.gz CAHVTHYQNNWFOT-OCCSQVGLSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595077879 348189819 /nfs/dbraw/zinc/18/98/19/348189819.db2.gz QUUMXZJYDNDGID-QWHCGFSZSA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090524 348191062 /nfs/dbraw/zinc/19/10/62/348191062.db2.gz HDVMYRDECHHVGJ-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H](COC)[NH2+]CC1(C#N)CCCCC1 ZINC000595090635 348191123 /nfs/dbraw/zinc/19/11/23/348191123.db2.gz JTFKIQNNOFIAGG-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H](CO)CC2CC2)C1 ZINC000595089409 348191134 /nfs/dbraw/zinc/19/11/34/348191134.db2.gz OHNAEYVGSVWGEX-RDBSUJKOSA-N 1 0 236.359 2.067 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccoc2)C1 ZINC000595092864 348192860 /nfs/dbraw/zinc/19/28/60/348192860.db2.gz ZFWKYOJDCAJZAE-QWHCGFSZSA-N 1 0 218.300 2.494 20 30 BEEDRO N#CC1(C[NH2+]C2CCC(O)CC2)CCCCC1 ZINC000595092232 348193077 /nfs/dbraw/zinc/19/30/77/348193077.db2.gz ZVYNPERVOKXVHG-UHFFFAOYSA-N 1 0 236.359 2.354 20 30 BEEDRO C[C@H](O)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000595102911 348196075 /nfs/dbraw/zinc/19/60/75/348196075.db2.gz KJVXSMZAIAIEML-NEBZKDRISA-N 1 0 244.338 2.390 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1C[C@H](O)C1 ZINC000595105874 348196906 /nfs/dbraw/zinc/19/69/06/348196906.db2.gz ZQWNWHJBQVGPTA-UMVBOHGHSA-N 1 0 242.322 2.049 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CCCO)C1CC1 ZINC000121632159 349983502 /nfs/dbraw/zinc/98/35/02/349983502.db2.gz PAMYRLRTWWQGMN-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000595107623 348197382 /nfs/dbraw/zinc/19/73/82/348197382.db2.gz OUCNWEYWLSODHY-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCC2CCC2)CC1 ZINC000595396684 348238234 /nfs/dbraw/zinc/23/82/34/348238234.db2.gz DFMNQKAQMWLVJL-OAHLLOKOSA-N 1 0 249.402 2.342 20 30 BEEDRO CC1(C)C[C@@H]([NH+]2CCC(CC#N)CC2)CO1 ZINC000595425994 348246787 /nfs/dbraw/zinc/24/67/87/348246787.db2.gz NHVNQFMQQQZNSY-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]CCc1ccc(C#N)cc1 ZINC000595429357 348248530 /nfs/dbraw/zinc/24/85/30/348248530.db2.gz DMCUVNNDRHOZBM-OAHLLOKOSA-N 1 0 246.354 2.097 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)[C@H](C#N)c1ccccc1 ZINC000595445621 348251646 /nfs/dbraw/zinc/25/16/46/348251646.db2.gz OTOLZHYWPRDKQW-OAHLLOKOSA-N 1 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20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000595528268 348272145 /nfs/dbraw/zinc/27/21/45/348272145.db2.gz BKRLHIDVORBOSQ-QWHCGFSZSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc(N)c1 ZINC000595530480 348272544 /nfs/dbraw/zinc/27/25/44/348272544.db2.gz QPRPLMCTEFQAHY-LBPRGKRZSA-N 1 0 203.289 2.051 20 30 BEEDRO CC[C@H](CC#N)NCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000595528789 348272577 /nfs/dbraw/zinc/27/25/77/348272577.db2.gz FLZJETIJQOGEID-HZSPNIEDSA-N 1 0 237.391 2.246 20 30 BEEDRO CC[C@H](CC#N)NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595528791 348272676 /nfs/dbraw/zinc/27/26/76/348272676.db2.gz FLZJETIJQOGEID-MGPQQGTHSA-N 1 0 237.391 2.246 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000563860665 323181353 /nfs/dbraw/zinc/18/13/53/323181353.db2.gz GJFXSOKVLNHSIF-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO CC(C)[NH+]1CCN(c2ccsc2C#N)CC1 ZINC000595631664 348293645 /nfs/dbraw/zinc/29/36/45/348293645.db2.gz HJJCTZGDKFLTLS-UHFFFAOYSA-N 1 0 235.356 2.150 20 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BEEDRO C=CC[N@@H+](CCC(C)(C)C#N)[C@H](C)COC ZINC000595638839 348303681 /nfs/dbraw/zinc/30/36/81/348303681.db2.gz MHNVWHJEVBKQRA-GFCCVEGCSA-N 1 0 224.348 2.449 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595689206 348314860 /nfs/dbraw/zinc/31/48/60/348314860.db2.gz NVRAPSQZLYLGEW-OKILXGFUSA-N 1 0 236.359 2.285 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595730566 348317559 /nfs/dbraw/zinc/31/75/59/348317559.db2.gz CDXRNLDMJAUAGH-FRRDWIJNSA-N 1 0 237.343 2.226 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccc(C#N)cc2)C[C@H](C)C1O ZINC000595737449 348319299 /nfs/dbraw/zinc/31/92/99/348319299.db2.gz CCMABMDVWXJSNE-RYUDHWBXSA-N 1 0 244.338 2.007 20 30 BEEDRO N#Cc1ccc(CC[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000595810922 348350550 /nfs/dbraw/zinc/35/05/50/348350550.db2.gz PZKLLVHPOTWAND-HUUCEWRRSA-N 1 0 226.323 2.443 20 30 BEEDRO N#Cc1ccc(CC[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000595810921 348350618 /nfs/dbraw/zinc/35/06/18/348350618.db2.gz PZKLLVHPOTWAND-GJZGRUSLSA-N 1 0 226.323 2.443 20 30 BEEDRO N#CC1(C[N@H+]2CCC[C@H](CCF)C2)CC1 ZINC000595756797 348331399 /nfs/dbraw/zinc/33/13/99/348331399.db2.gz XBVDFBHXDKAGLU-LLVKDONJSA-N 1 0 210.296 2.362 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000595768114 348334726 /nfs/dbraw/zinc/33/47/26/348334726.db2.gz FCMMDQACRRMKDL-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000595767757 348334790 /nfs/dbraw/zinc/33/47/90/348334790.db2.gz CDOPEESHBASSKJ-QMTHXVAHSA-N 1 0 248.301 2.043 20 30 BEEDRO Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CCCC#N)cn1 ZINC000595769611 348335931 /nfs/dbraw/zinc/33/59/31/348335931.db2.gz KNTYDDSVPVOIOY-ZIAGYGMSSA-N 1 0 246.358 2.025 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779770 348339593 /nfs/dbraw/zinc/33/95/93/348339593.db2.gz HZDADOPJTRFKKU-TUAOUCFPSA-N 1 0 210.321 2.178 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)s1)CC1=CCCOC1 ZINC000595748462 348340560 /nfs/dbraw/zinc/34/05/60/348340560.db2.gz ZOZCQOSUDUEWCL-UHFFFAOYSA-N 1 0 248.351 2.398 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595812634 348352454 /nfs/dbraw/zinc/35/24/54/348352454.db2.gz YBZLHZNZGYMZJG-TZMCWYRMSA-N 1 0 242.322 2.409 20 30 BEEDRO N#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000595788311 348346133 /nfs/dbraw/zinc/34/61/33/348346133.db2.gz IWXUOQCRNRTRSL-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000595833758 348367142 /nfs/dbraw/zinc/36/71/42/348367142.db2.gz LYJGGQQADGATKB-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CCc2ccccc2)C1 ZINC000595834207 348368419 /nfs/dbraw/zinc/36/84/19/348368419.db2.gz KOOFDFHPJVHCPW-CQSZACIVSA-N 1 0 214.312 2.465 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](CC)C(=O)OC ZINC000595841067 348375456 /nfs/dbraw/zinc/37/54/56/348375456.db2.gz GTYFAXZECRXDHO-GRYCIOLGSA-N 1 0 223.316 2.121 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000385914794 362906304 /nfs/dbraw/zinc/90/63/04/362906304.db2.gz RTQBBCPODBZVEK-HUUCEWRRSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623483906 362907356 /nfs/dbraw/zinc/90/73/56/362907356.db2.gz WVYAAKLXZYJQKI-IMIFBBOLSA-N 1 0 223.360 2.195 20 30 BEEDRO CO[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C1CCCC1 ZINC000595842493 348378045 /nfs/dbraw/zinc/37/80/45/348378045.db2.gz RWNJWPQHQSBGIJ-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000595842521 348378127 /nfs/dbraw/zinc/37/81/27/348378127.db2.gz FGCDJGKGNAQDNZ-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](C[C@H](O)CC2CCCC2)C1 ZINC000595844547 348382281 /nfs/dbraw/zinc/38/22/81/348382281.db2.gz UTOSAMDHRBTISJ-KGLIPLIRSA-N 1 0 236.359 2.163 20 30 BEEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOCCC#N ZINC000595857051 348357563 /nfs/dbraw/zinc/35/75/63/348357563.db2.gz IIZKAFPXCCJWNC-YHWZYXNKSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCCCC[N@H+]1CCOc2ccc(O)cc2C1 ZINC000595855887 348357712 /nfs/dbraw/zinc/35/77/12/348357712.db2.gz FXZATKFIUHWSCD-UHFFFAOYSA-N 1 0 246.310 2.280 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000279679141 166299822 /nfs/dbraw/zinc/29/98/22/166299822.db2.gz IUJNEAHVONFGGD-ZDUSSCGKSA-N 1 0 208.349 2.193 20 30 BEEDRO C[N@@H+](Cc1ccnc(C#N)c1)C[C@@H]1CC1(C)C ZINC000595908658 348397889 /nfs/dbraw/zinc/39/78/89/348397889.db2.gz JJUZLRWQDFAGCY-LBPRGKRZSA-N 1 0 229.327 2.431 20 30 BEEDRO C[N@@H+](Cc1ccnc(C#N)c1)C[C@H]1CC1(C)C ZINC000595908657 348398271 /nfs/dbraw/zinc/39/82/71/348398271.db2.gz JJUZLRWQDFAGCY-GFCCVEGCSA-N 1 0 229.327 2.431 20 30 BEEDRO CO[C@H](C[NH2+][C@H](C)CC#N)C1CCCC1 ZINC000596047313 348429343 /nfs/dbraw/zinc/42/93/43/348429343.db2.gz PBTRDGMFMAMWRK-ZYHUDNBSSA-N 1 0 210.321 2.083 20 30 BEEDRO N#CCC[NH2+]CCc1nsc2ccccc12 ZINC000596064293 348436231 /nfs/dbraw/zinc/43/62/31/348436231.db2.gz FPHLJXJIWOORBU-UHFFFAOYSA-N 1 0 231.324 2.342 20 30 BEEDRO CCn1nccc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000596096011 348444935 /nfs/dbraw/zinc/44/49/35/348444935.db2.gz TWPFWMVOICRFNN-RYUDHWBXSA-N 1 0 232.331 2.075 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)c1ccc(C(=O)OC)o1 ZINC000121158185 348475342 /nfs/dbraw/zinc/47/53/42/348475342.db2.gz BDPCQBWYGWCGAW-VIFPVBQESA-N 1 0 223.272 2.245 20 30 BEEDRO Cc1cc(NCC[C@@H](C)[NH+](C)C)cc(C#N)n1 ZINC000596430200 348544980 /nfs/dbraw/zinc/54/49/80/348544980.db2.gz JYQPPQFVCXQSOK-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000596336043 348497465 /nfs/dbraw/zinc/49/74/65/348497465.db2.gz LEWKBZUVOHNAGB-GFCCVEGCSA-N 1 0 244.342 2.238 20 30 BEEDRO Cc1ccc(C#N)c(NCC[C@H](C)[NH+](C)C)n1 ZINC000596428662 348530146 /nfs/dbraw/zinc/53/01/46/348530146.db2.gz GGFDHGPOYFSKTG-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO CCC[N@H+](C)CC(C)(C)Nc1cccc(C#N)n1 ZINC000596541419 348583673 /nfs/dbraw/zinc/58/36/73/348583673.db2.gz FVYOPUGEKDRYFE-UHFFFAOYSA-N 1 0 246.358 2.486 20 30 BEEDRO CC1(C)Cc2n[nH]cc2C[N@@H+](CCCCC#N)C1 ZINC000596599154 348590382 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348607892 /nfs/dbraw/zinc/60/78/92/348607892.db2.gz NRZWMFUIDMMFBM-XHDPSFHLSA-N 1 0 243.354 2.133 20 30 BEEDRO CCOC1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000597081450 348658162 /nfs/dbraw/zinc/65/81/62/348658162.db2.gz ABRRSJNHAFATAZ-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](CO)[N@H+](C)Cc1ccc(C2(C#N)CC2)cc1 ZINC000597131476 348659878 /nfs/dbraw/zinc/65/98/78/348659878.db2.gz WNZZICSBJBORTD-LBPRGKRZSA-N 1 0 244.338 2.054 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@@H](C3CC3)C2)C1 ZINC000597137646 348661170 /nfs/dbraw/zinc/66/11/70/348661170.db2.gz WCIOTGYAZHZZHB-DOERSZECSA-N 1 0 234.343 2.226 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000597116175 348663193 /nfs/dbraw/zinc/66/31/93/348663193.db2.gz DWQKRBRUEOCESH-GRYCIOLGSA-N 1 0 204.317 2.458 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000597151633 348665153 /nfs/dbraw/zinc/66/51/53/348665153.db2.gz QRDHXNJBSFZKAW-NEPJUHHUSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](CSCCF)[NH2+]CC1(C#N)CCC1 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348682977 /nfs/dbraw/zinc/68/29/77/348682977.db2.gz ITQYNLMZJQKSMJ-NSHDSACASA-N 1 0 217.378 2.168 20 30 BEEDRO COCCC1C[NH+](Cc2cccc(C#N)c2)C1 ZINC000597183965 348683220 /nfs/dbraw/zinc/68/32/20/348683220.db2.gz OUSCHSMEVABNBI-UHFFFAOYSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000597241851 348686554 /nfs/dbraw/zinc/68/65/54/348686554.db2.gz IGFOWHMZZIKKJD-WRWGMCAJSA-N 1 0 225.332 2.128 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)o1)CC1=CCSC1 ZINC000597243873 348687709 /nfs/dbraw/zinc/68/77/09/348687709.db2.gz IJSHPROMPOGDMK-UHFFFAOYSA-N 1 0 234.324 2.256 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000597220296 348691792 /nfs/dbraw/zinc/69/17/92/348691792.db2.gz CFINHUMVNGDCBQ-LPWJVIDDSA-N 1 0 237.343 2.272 20 30 BEEDRO N#CC1(C[NH2+]CC[C@@H]2CCOC2)CCCCC1 ZINC000597225577 348695143 /nfs/dbraw/zinc/69/51/43/348695143.db2.gz RNNVRQOMDQHSCJ-CYBMUJFWSA-N 1 0 236.359 2.477 20 30 BEEDRO CCc1ncc(CN2CC[C@@](C)(C#N)C2)s1 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ZINC000054180105 348891200 /nfs/dbraw/zinc/89/12/00/348891200.db2.gz VFFXNKXNBUPDAC-RYUDHWBXSA-N 1 0 232.327 2.463 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)s1)C1CCOCC1 ZINC000536649963 323199566 /nfs/dbraw/zinc/19/95/66/323199566.db2.gz FZJHHNBLZYASDN-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO N#CC1CCC(C[NH2+]CC2(F)CC2)CC1 ZINC000308865961 348979919 /nfs/dbraw/zinc/97/99/19/348979919.db2.gz FNXQTNLHQWJUKO-UHFFFAOYSA-N 1 0 210.296 2.408 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)c1cccnc1 ZINC000598599188 348992931 /nfs/dbraw/zinc/99/29/31/348992931.db2.gz HHRSSMCLDQJQPR-DGCLKSJQSA-N 1 0 247.342 2.033 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585936 348994858 /nfs/dbraw/zinc/99/48/58/348994858.db2.gz BVXWMVLXUNFZIF-JQWIXIFHSA-N 1 0 224.348 2.017 20 30 BEEDRO CC(C)CC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586096 348994946 /nfs/dbraw/zinc/99/49/46/348994946.db2.gz ONGPUIZPKRNPKK-GFCCVEGCSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 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ZINC000365132805 348951056 /nfs/dbraw/zinc/95/10/56/348951056.db2.gz IMFSOYXDWDIPIR-ZDUSSCGKSA-N 1 0 216.284 2.443 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598612811 349000507 /nfs/dbraw/zinc/00/05/07/349000507.db2.gz DFIPKIPATIRDOS-OLZOCXBDSA-N 1 0 236.359 2.328 20 30 BEEDRO CC1=C(C)C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598610493 349006988 /nfs/dbraw/zinc/00/69/88/349006988.db2.gz GYDDIUIASHQVOY-ZDUSSCGKSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1CO ZINC000598650710 349011787 /nfs/dbraw/zinc/01/17/87/349011787.db2.gz OISGUXLKLTUPSC-OLZOCXBDSA-N 1 0 238.375 2.267 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1CO ZINC000598650702 349011799 /nfs/dbraw/zinc/01/17/99/349011799.db2.gz OISGUXLKLTUPSC-CHWSQXEVSA-N 1 0 238.375 2.267 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(F)(F)C2)C1 ZINC000308879593 349016576 /nfs/dbraw/zinc/01/65/76/349016576.db2.gz PIDOGYJTMCTZMD-BBBLOLIVSA-N 1 0 214.259 2.456 20 30 BEEDRO CC(C)(C)[C@@H](C[NH3+])NCc1ccccc1C#N ZINC000598679331 349021104 /nfs/dbraw/zinc/02/11/04/349021104.db2.gz GRVHJZIPZQATNF-CYBMUJFWSA-N 1 0 231.343 2.021 20 30 BEEDRO CCC[C@H]1C[NH2+]CCN1Cc1ccccc1C#N ZINC000598679851 349022055 /nfs/dbraw/zinc/02/20/55/349022055.db2.gz OCNBAVDJYRZEJL-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO Cc1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cc1 ZINC000598703239 349022421 /nfs/dbraw/zinc/02/24/21/349022421.db2.gz FBOWMMNHWADVBN-AWEZNQCLSA-N 1 0 246.354 2.385 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1CCCCC1 ZINC000598704826 349023123 /nfs/dbraw/zinc/02/31/23/349023123.db2.gz USJCQPFBSDIOJU-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO CCC[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598704432 349023290 /nfs/dbraw/zinc/02/32/90/349023290.db2.gz PCTGIYFOOZELBI-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CC=CCC1 ZINC000598720666 349027922 /nfs/dbraw/zinc/02/79/22/349027922.db2.gz PFHWBFCTDZNGEU-STQMWFEESA-N 1 0 236.359 2.233 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC1=CCCC1 ZINC000598723797 349028832 /nfs/dbraw/zinc/02/88/32/349028832.db2.gz HRIJLWCJRYNZKP-CYBMUJFWSA-N 1 0 236.359 2.377 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CCC1 ZINC000598724937 349029411 /nfs/dbraw/zinc/02/94/11/349029411.db2.gz MJJDGJQOIFODTP-PWSUYJOCSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)C[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727631 349029641 /nfs/dbraw/zinc/02/96/41/349029641.db2.gz YLHDPAARQCWNEM-RYUDHWBXSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598728152 349030322 /nfs/dbraw/zinc/03/03/22/349030322.db2.gz OBSULMAOPOYBQD-SCRDCRAPSA-N 1 0 238.375 2.311 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598729337 349031352 /nfs/dbraw/zinc/03/13/52/349031352.db2.gz ILZSWCKPVHMMLK-QWHCGFSZSA-N 1 0 238.375 2.311 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccsc1 ZINC000598699875 349033197 /nfs/dbraw/zinc/03/31/97/349033197.db2.gz JBJDDOMPBHLNRO-LLVKDONJSA-N 1 0 238.356 2.138 20 30 BEEDRO CCn1ccnc1[C@@H](C)NC(=O)[C@](C)(C#N)CC ZINC000598739038 349036059 /nfs/dbraw/zinc/03/60/59/349036059.db2.gz UTFCVPOPTZQEHF-MFKMUULPSA-N 1 0 248.330 2.020 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000598964764 349068738 /nfs/dbraw/zinc/06/87/38/349068738.db2.gz YDQYRGYIIGWFSM-UHFFFAOYSA-N 1 0 228.299 2.346 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccc[nH]c1=O ZINC000599005422 349074467 /nfs/dbraw/zinc/07/44/67/349074467.db2.gz DGRQAUJWNXHDJA-UHFFFAOYSA-N 1 0 233.315 2.207 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000599008844 349075092 /nfs/dbraw/zinc/07/50/92/349075092.db2.gz JBZJRSODWGAYGG-DGCLKSJQSA-N 1 0 248.351 2.277 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000599016620 349082187 /nfs/dbraw/zinc/08/21/87/349082187.db2.gz LILTUCKECMXCPG-OTVXOJSOSA-N 1 0 244.338 2.381 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CO[C@@H](C3CC3)C2)C1 ZINC000599084684 349090079 /nfs/dbraw/zinc/09/00/79/349090079.db2.gz FDOSTCJYPOVZPX-YXCITZCRSA-N 1 0 234.343 2.226 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(C#N)cc32)C1 ZINC000599092823 349092001 /nfs/dbraw/zinc/09/20/01/349092001.db2.gz OKVUHFMWUJRUNI-UMVBOHGHSA-N 1 0 242.322 2.313 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628302321 349092945 /nfs/dbraw/zinc/09/29/45/349092945.db2.gz YUZFOZZPPPOZBA-ONGXEEELSA-N 1 0 233.302 2.337 20 30 BEEDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000308910166 349058885 /nfs/dbraw/zinc/05/88/85/349058885.db2.gz GABCJUBMOCAIRR-KCJUWKMLSA-N 1 0 222.313 2.135 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)CC(=O)NC ZINC000449602643 201981294 /nfs/dbraw/zinc/98/12/94/201981294.db2.gz PFSXFVUDOOGEEI-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO Cc1ccc(CN2C[C@H](C)OC[C@@H]2C)cc1C#N ZINC000599258567 349133501 /nfs/dbraw/zinc/13/35/01/349133501.db2.gz PUNPYYZIYLXMAN-STQMWFEESA-N 1 0 244.338 2.476 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(CO)CC2)cc1C#N ZINC000599262605 349134337 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248.370 2.307 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH+]2CC3(C2)CCCCC3)CC1 ZINC000601957917 349400012 /nfs/dbraw/zinc/40/00/12/349400012.db2.gz LHCOXRIDNZPXGY-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CO)C1CCCCC1 ZINC000309079072 323225972 /nfs/dbraw/zinc/22/59/72/323225972.db2.gz NPWLEUURHYEBFU-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCCC12CC2 ZINC000601934361 349388174 /nfs/dbraw/zinc/38/81/74/349388174.db2.gz LSECJGYEMWCQHK-VXGBXAGGSA-N 1 0 217.316 2.352 20 30 BEEDRO COCC[N@H+](CCC#N)C[C@H]1CCC(F)(F)C1 ZINC000382309909 350032992 /nfs/dbraw/zinc/03/29/92/350032992.db2.gz IWVFQWIBGWDBHI-NSHDSACASA-N 1 0 246.301 2.284 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601978799 349413398 /nfs/dbraw/zinc/41/33/98/349413398.db2.gz ZXKJZXVDKBAAOY-VHSXEESVSA-N 1 0 232.274 2.035 20 30 BEEDRO C=CCC[NH2+]Cc1cccc(F)c1C#N ZINC000602028519 349420858 /nfs/dbraw/zinc/42/08/58/349420858.db2.gz OKBLWEFEWAZLCN-UHFFFAOYSA-N 1 0 204.248 2.363 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BEEDRO C=C(Cl)CN1CCCN(C(=O)CCC)CC1 ZINC000050071918 350281621 /nfs/dbraw/zinc/28/16/21/350281621.db2.gz AVRJXJHIRWGJGS-UHFFFAOYSA-N 1 0 244.766 2.073 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]1CCC(C)(C)C#N ZINC000083640554 350264871 /nfs/dbraw/zinc/26/48/71/350264871.db2.gz IWFWCALGQCNHLD-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)sc1C ZINC000309168638 323322691 /nfs/dbraw/zinc/32/26/91/323322691.db2.gz KEEKAMBCCISQFV-GFCCVEGCSA-N 1 0 225.357 2.392 20 30 BEEDRO CC(C)NC(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262527556 535123671 /nfs/dbraw/zinc/12/36/71/535123671.db2.gz LVNXMQASPFZFIJ-NWDGAFQWSA-N 1 0 223.364 2.268 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccnc(C#N)c1)C1CC1 ZINC000324364709 350294569 /nfs/dbraw/zinc/29/45/69/350294569.db2.gz WMQHMRGJJJAYGT-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCn2ccnc2C1 ZINC000427868897 191097777 /nfs/dbraw/zinc/09/77/77/191097777.db2.gz BKEOWDZDWZKMLZ-XQQFMLRXSA-N 1 0 233.359 2.388 20 30 BEEDRO CCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000328527837 350400937 /nfs/dbraw/zinc/40/09/37/350400937.db2.gz VLVALYQBKRAPJH-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO CC[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@@H](C)O1 ZINC000336669085 350433412 /nfs/dbraw/zinc/43/34/12/350433412.db2.gz HTRXEGLAMHGFPE-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(C)C[NH+](C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336649243 350418496 /nfs/dbraw/zinc/41/84/96/350418496.db2.gz QQEPHNNDDHHCGW-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO CCOCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336654312 350421219 /nfs/dbraw/zinc/42/12/19/350421219.db2.gz ZTWWLCUZQZOYAD-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1[N@H+](CCCCC#N)CCOC1(C)C ZINC000336654269 350421410 /nfs/dbraw/zinc/42/14/10/350421410.db2.gz ZTCFJNPDGGKQSB-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(C)n(C)n1 ZINC000336654194 350421561 /nfs/dbraw/zinc/42/15/61/350421561.db2.gz ZNGQTRAWYQBVDO-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCC1CCOCC1)C1CC1 ZINC000336659895 350422999 /nfs/dbraw/zinc/42/29/99/350422999.db2.gz QKHNQHFQYBMGOZ-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)[C@@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000336666876 350427828 /nfs/dbraw/zinc/42/78/28/350427828.db2.gz MOMAHJUDRGZIBD-LBPRGKRZSA-N 1 0 226.364 2.265 20 30 BEEDRO CC(C)[NH+]1CCC(N(C)CCCC#N)CC1 ZINC000336672509 350431176 /nfs/dbraw/zinc/43/11/76/350431176.db2.gz KKNUMKYHODHFES-UHFFFAOYSA-N 1 0 223.364 2.095 20 30 BEEDRO CC(C)(C)[C@@H](O)C[N@H+](CCC#N)CC1CC1 ZINC000336669040 350432982 /nfs/dbraw/zinc/43/29/82/350432982.db2.gz UWEMEMQMHYUAHN-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO COC(C)(C)CC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336668634 350432993 /nfs/dbraw/zinc/43/29/93/350432993.db2.gz PIWCKBZCUFFICO-NSHDSACASA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCCOC1)C1CC1 ZINC000336698169 350452924 /nfs/dbraw/zinc/45/29/24/350452924.db2.gz IGBCPFJRTAZVST-NEPJUHHUSA-N 1 0 222.332 2.037 20 30 BEEDRO COC[C@H]([NH2+][C@H]1CCCC[C@H]1C#N)C1CC1 ZINC000397277278 350455786 /nfs/dbraw/zinc/45/57/86/350455786.db2.gz QLYBUMQXODGXOO-AVGNSLFASA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](C#N)CN(CCOCC1CC1)C1CC1 ZINC000336702341 350458197 /nfs/dbraw/zinc/45/81/97/350458197.db2.gz NKKITDKXVNVQMK-NSHDSACASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](C#N)CN(CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000336701553 350458303 /nfs/dbraw/zinc/45/83/03/350458303.db2.gz LSLGNHPNOPRRBX-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO CC#CCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336701343 350458376 /nfs/dbraw/zinc/45/83/76/350458376.db2.gz CXXUWZIMQQHTHV-UHFFFAOYSA-N 1 0 244.338 2.338 20 30 BEEDRO C[C@H](C#N)CN(CC[NH+]1CCCCC1)C1CC1 ZINC000336722233 350472838 /nfs/dbraw/zinc/47/28/38/350472838.db2.gz ZVPIAFFWNUZOIM-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCCC#N ZINC000163151824 350507788 /nfs/dbraw/zinc/50/77/88/350507788.db2.gz JBYAMFLPHMBFIL-STQMWFEESA-N 1 0 224.348 2.306 20 30 BEEDRO CC[C@H]([NH2+]CC1(CO)CC1)c1ccc(C#N)cc1 ZINC000618571549 350498694 /nfs/dbraw/zinc/49/86/94/350498694.db2.gz HAVGSYLWDHPXEE-AWEZNQCLSA-N 1 0 244.338 2.371 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](C)C[C@H](C)O)ccc1C#N ZINC000444001884 191111248 /nfs/dbraw/zinc/11/12/48/191111248.db2.gz LSARAFUWZUHYTK-YPMHNXCESA-N 1 0 246.354 2.363 20 30 BEEDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000331438952 350546364 /nfs/dbraw/zinc/54/63/64/350546364.db2.gz ZSVQSAIMCZQCSM-WZRBSPASSA-N 1 0 244.342 2.079 20 30 BEEDRO CCNC(NC[C@H](C)c1ccccc1)=[NH+]CC ZINC000066242366 350578013 /nfs/dbraw/zinc/57/80/13/350578013.db2.gz ZWCICMJMFBCQCQ-LBPRGKRZSA-N 1 0 233.359 2.365 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000606897948 350623605 /nfs/dbraw/zinc/62/36/05/350623605.db2.gz OMQSIVWIBPVLCL-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000677817741 490664289 /nfs/dbraw/zinc/66/42/89/490664289.db2.gz ATRQTBJQUXNJGE-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCO)c1ccccc1 ZINC000125047677 350728294 /nfs/dbraw/zinc/72/82/94/350728294.db2.gz XMSAPOVTCBLUCQ-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO CC#CCC[NH2+]Cc1csc(CC)n1 ZINC000125673623 350738675 /nfs/dbraw/zinc/73/86/75/350738675.db2.gz XXNTYOYLSRQDPR-UHFFFAOYSA-N 1 0 208.330 2.209 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000628312410 350813399 /nfs/dbraw/zinc/81/33/99/350813399.db2.gz AKETWFAQRJAKJY-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](CCC)Cc1ccc(C#N)cc1 ZINC000051855225 350864025 /nfs/dbraw/zinc/86/40/25/350864025.db2.gz ASLOBZVWOKSFGJ-UHFFFAOYSA-N 1 0 212.296 2.403 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccon1 ZINC000128936105 350902665 /nfs/dbraw/zinc/90/26/65/350902665.db2.gz OEBWTJLDUULXJF-UHFFFAOYSA-N 1 0 207.277 2.094 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000397572401 350920512 /nfs/dbraw/zinc/92/05/12/350920512.db2.gz CIOOIQGHEDAEJT-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[N@H+](C)CCOc1cccc(F)c1 ZINC000052128861 350935992 /nfs/dbraw/zinc/93/59/92/350935992.db2.gz VGNDOOHGEJOFOL-UHFFFAOYSA-N 1 0 209.264 2.322 20 30 BEEDRO C[NH2+]CCSCCCC(C)(C)C#N ZINC000382655187 350938346 /nfs/dbraw/zinc/93/83/46/350938346.db2.gz IHTOOGVQVQCZSP-UHFFFAOYSA-N 1 0 200.351 2.269 20 30 BEEDRO CCCCOCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397651926 350958459 /nfs/dbraw/zinc/95/84/59/350958459.db2.gz UEWCUTKKXWVNAO-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO COCC1(C[N@@H+]2CCC[C@@H](CC#N)C2)CCC1 ZINC000397702109 350961970 /nfs/dbraw/zinc/96/19/70/350961970.db2.gz MFWCQWOIUZSWSG-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO N#Cc1ccc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000222493410 350975654 /nfs/dbraw/zinc/97/56/54/350975654.db2.gz ZYORQGGSNCOJSM-CHWSQXEVSA-N 1 0 229.327 2.488 20 30 BEEDRO C=CCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623564236 362990035 /nfs/dbraw/zinc/99/00/35/362990035.db2.gz WWJDVCFAQMOISP-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(F)cc(F)c1 ZINC000289925095 350994464 /nfs/dbraw/zinc/99/44/64/350994464.db2.gz VECSYOQZUCEACO-QPUJVOFHSA-N 1 0 227.254 2.162 20 30 BEEDRO Cc1cc(C#N)ccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000159793941 350997992 /nfs/dbraw/zinc/99/79/92/350997992.db2.gz MGHUVKOZQZSZRS-BETUJISGSA-N 1 0 244.338 2.476 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000231679091 351065070 /nfs/dbraw/zinc/06/50/70/351065070.db2.gz ZHUDOXUMLUBFRB-OLZOCXBDSA-N 1 0 248.301 2.354 20 30 BEEDRO Cc1nc(C)c(C[NH2+]CCCC#N)s1 ZINC000336695328 351021648 /nfs/dbraw/zinc/02/16/48/351021648.db2.gz SLADVWBPROICMS-UHFFFAOYSA-N 1 0 209.318 2.153 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000231679093 351065941 /nfs/dbraw/zinc/06/59/41/351065941.db2.gz ZHUDOXUMLUBFRB-QWHCGFSZSA-N 1 0 248.301 2.354 20 30 BEEDRO COc1cc([C@H](C)[NH2+]CCCC#N)ccn1 ZINC000336701024 351044906 /nfs/dbraw/zinc/04/49/06/351044906.db2.gz NUCMVSPBHFFUOV-JTQLQIEISA-N 1 0 219.288 2.045 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[N@@H+](C)CCC ZINC000628316379 351048329 /nfs/dbraw/zinc/04/83/29/351048329.db2.gz SJOAZTPOGHYVJY-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1C ZINC000070740422 351064399 /nfs/dbraw/zinc/06/43/99/351064399.db2.gz CFLIFQORBYMEHQ-ZDUSSCGKSA-N 1 0 246.354 2.118 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(C)s1 ZINC000336721054 351150482 /nfs/dbraw/zinc/15/04/82/351150482.db2.gz DGXMSHQULLYJIC-LLVKDONJSA-N 1 0 225.357 2.331 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1sccc1C ZINC000289975904 351142977 /nfs/dbraw/zinc/14/29/77/351142977.db2.gz XPNXZPUWNHWWQL-ZJUUUORDSA-N 1 0 211.330 2.254 20 30 BEEDRO CC#CC[N@H+]1CCC[C@H](OCCC)CC1 ZINC000119478217 358461525 /nfs/dbraw/zinc/46/15/25/358461525.db2.gz CBAHDJRHONQAJZ-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000623584308 363018253 /nfs/dbraw/zinc/01/82/53/363018253.db2.gz ZVSIPQKGEJXKSK-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO Cc1cc(OCC[C@@H]2CC[NH2+]C2)ccc1C#N ZINC000122485980 363025898 /nfs/dbraw/zinc/02/58/98/363025898.db2.gz ZGIAKAIJHUPEFR-LBPRGKRZSA-N 1 0 230.311 2.245 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cncnc1OC ZINC000623592790 363027685 /nfs/dbraw/zinc/02/76/85/363027685.db2.gz AYPIUEZGUMYABU-UHFFFAOYSA-N 1 0 235.331 2.177 20 30 BEEDRO C[C@H]([NH2+]CCF)c1ccc(OCC#N)cc1 ZINC000271818365 351439087 /nfs/dbraw/zinc/43/90/87/351439087.db2.gz NEMREDDCAZCTGJ-JTQLQIEISA-N 1 0 222.263 2.209 20 30 BEEDRO NC(=[NH2+])NCC1(Cc2ccccc2)CCCC1 ZINC000272263174 351466859 /nfs/dbraw/zinc/46/68/59/351466859.db2.gz XIZYHZMTKRGZDM-UHFFFAOYSA-N 1 0 231.343 2.063 20 30 BEEDRO CCC(N)=[NH+]OCCCc1cccc(F)c1 ZINC000272187699 351460660 /nfs/dbraw/zinc/46/06/60/351460660.db2.gz DWCYKJFUFWWAJX-UHFFFAOYSA-N 1 0 224.279 2.457 20 30 BEEDRO CCNC(=[NH2+])NCC1(Cc2ccc(F)cc2)CC1 ZINC000271308972 351411817 /nfs/dbraw/zinc/41/18/17/351411817.db2.gz YDKSQRYNEZPHCW-UHFFFAOYSA-N 1 0 249.333 2.073 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000231930158 351464758 /nfs/dbraw/zinc/46/47/58/351464758.db2.gz NPPIDUQJBVIIKR-NXEZZACHSA-N 1 0 217.403 2.389 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cc2)CCCO1 ZINC000094797033 363032753 /nfs/dbraw/zinc/03/27/53/363032753.db2.gz WSAGGRWJRDPQNX-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(C#N)c2)CCCO1 ZINC000094798017 363032960 /nfs/dbraw/zinc/03/29/60/363032960.db2.gz ISTYOKBIUBOFAW-AWEZNQCLSA-N 1 0 230.311 2.217 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451882382 351422693 /nfs/dbraw/zinc/42/26/93/351422693.db2.gz CXHQRXUIOLQKOD-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CC1CCCCCC1 ZINC000336725330 351423093 /nfs/dbraw/zinc/42/30/93/351423093.db2.gz GFXNSYSVTSLPIJ-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@@H](O)CCc1ccccc1 ZINC000273244357 351514358 /nfs/dbraw/zinc/51/43/58/351514358.db2.gz USWHBKVDYIBRRB-HIFRSBDPSA-N 1 0 246.354 2.072 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CSC[C@H]1C ZINC000307080825 351469793 /nfs/dbraw/zinc/46/97/93/351469793.db2.gz IWOJMFFHKWHAFM-HTRCEHHLSA-N 1 0 236.178 2.236 20 30 BEEDRO CCc1cnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)s1 ZINC000336726626 351487729 /nfs/dbraw/zinc/48/77/29/351487729.db2.gz CIFIYBBZNSJRRF-ZJUUUORDSA-N 1 0 235.356 2.487 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000090448237 363060973 /nfs/dbraw/zinc/06/09/73/363060973.db2.gz HXICVUWSTCVJGU-UONOGXRCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000090448238 363061066 /nfs/dbraw/zinc/06/10/66/363061066.db2.gz HXICVUWSTCVJGU-ZIAGYGMSSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CCC(F)(F)F ZINC000336727541 351515043 /nfs/dbraw/zinc/51/50/43/351515043.db2.gz BZBJCTPIWYULEO-VHSXEESVSA-N 1 0 239.281 2.492 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1F ZINC000404053765 363053669 /nfs/dbraw/zinc/05/36/69/363053669.db2.gz GCVXEPCYEINGCY-TXEJJXNPSA-N 1 0 216.259 2.149 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC(C)(C)O)c1 ZINC000274779004 351581640 /nfs/dbraw/zinc/58/16/40/351581640.db2.gz NHZPVEMEMFFKDO-UHFFFAOYSA-N 1 0 249.358 2.191 20 30 BEEDRO CNC(NCc1ccc(C2CCC2)cc1)=[NH+]C ZINC000276922085 351661707 /nfs/dbraw/zinc/66/17/07/351661707.db2.gz PFGVSWFFGSDRNC-UHFFFAOYSA-N 1 0 231.343 2.249 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](OC)C1CCOCC1 ZINC000637837342 351691216 /nfs/dbraw/zinc/69/12/16/351691216.db2.gz FBGHNTOGCXWPDO-AWEZNQCLSA-N 1 0 241.375 2.326 20 30 BEEDRO C#CC[N@H+](C)CCCNc1cccc(F)c1C#N ZINC000292683348 351722162 /nfs/dbraw/zinc/72/21/62/351722162.db2.gz DUBPZKJXUCGEMV-UHFFFAOYSA-N 1 0 245.301 2.064 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC000278695295 351777186 /nfs/dbraw/zinc/77/71/86/351777186.db2.gz SMWYXFVUWUDKNZ-TZMCWYRMSA-N 1 0 244.342 2.212 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(n3ccnc3)CC2)C1 ZINC000278695283 351777263 /nfs/dbraw/zinc/77/72/63/351777263.db2.gz SMWYXFVUWUDKNZ-GXTWGEPZSA-N 1 0 244.342 2.212 20 30 BEEDRO COC(=O)c1coc([C@@H](C)[NH2+]CCCC#N)c1 ZINC000278815475 351785775 /nfs/dbraw/zinc/78/57/75/351785775.db2.gz SDHFIJYRDRGASN-SECBINFHSA-N 1 0 236.271 2.021 20 30 BEEDRO CCn1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)cn1 ZINC000278833008 351786637 /nfs/dbraw/zinc/78/66/37/351786637.db2.gz UEYYQYUKEKSGLP-DGCLKSJQSA-N 1 0 232.331 2.075 20 30 BEEDRO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000278276712 351755206 /nfs/dbraw/zinc/75/52/06/351755206.db2.gz PMQMYKVDXZZDEQ-ZIAGYGMSSA-N 1 0 246.358 2.254 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000072924707 351764211 /nfs/dbraw/zinc/76/42/11/351764211.db2.gz RGDIUHQULWPFNJ-CQSZACIVSA-N 1 0 232.327 2.319 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]CC(C)(C)C#N)OC ZINC000405127890 351856501 /nfs/dbraw/zinc/85/65/01/351856501.db2.gz BSFOBCGWZJBGMG-QWRGUYRKSA-N 1 0 212.337 2.187 20 30 BEEDRO CC1(CC/N=C/c2ccc(O)c(O)c2O)CC1 ZINC000280937163 351866863 /nfs/dbraw/zinc/86/68/63/351866863.db2.gz IMZHFHYAHLLNJX-RIYZIHGNSA-N 1 0 235.283 2.413 20 30 BEEDRO C=CCCCN(C)C(=O)c1oc(C[NH3+])cc1C ZINC000638009347 351887877 /nfs/dbraw/zinc/88/78/77/351887877.db2.gz DMFAZSYDCJCGKL-UHFFFAOYSA-N 1 0 236.315 2.085 20 30 BEEDRO COc1cc(C[NH2+]CCCCC#N)ccc1C#N ZINC000281597048 351899695 /nfs/dbraw/zinc/89/96/95/351899695.db2.gz FOAQWTKPFVEWOP-UHFFFAOYSA-N 1 0 243.310 2.350 20 30 BEEDRO Cc1c2ccccc2oc1CNC1=[NH+]C[C@@H](C)N1 ZINC000284902257 352009901 /nfs/dbraw/zinc/00/99/01/352009901.db2.gz ALKYBZBXTKCZRR-SECBINFHSA-N 1 0 243.310 2.179 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCOCC2)CCCC1 ZINC000405143733 351953878 /nfs/dbraw/zinc/95/38/78/351953878.db2.gz WPQSGMGSIMENDO-GFCCVEGCSA-N 1 0 222.332 2.229 20 30 BEEDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000618068837 351994288 /nfs/dbraw/zinc/99/42/88/351994288.db2.gz ANBWMBVFXGJIMF-JSGCOSHPSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(CSC)cc1 ZINC000285064843 352018979 /nfs/dbraw/zinc/01/89/79/352018979.db2.gz MDSJLUQCYLZURA-UHFFFAOYSA-N 1 0 249.383 2.140 20 30 BEEDRO COc1cc([C@H](C)[NH2+]CCCC#N)c(F)cn1 ZINC000287725260 352132636 /nfs/dbraw/zinc/13/26/36/352132636.db2.gz OVMTUUKRHKVLEN-VIFPVBQESA-N 1 0 237.278 2.184 20 30 BEEDRO C=CCCC(=O)OCc1cnccc1OC ZINC000286955218 352108591 /nfs/dbraw/zinc/10/85/91/352108591.db2.gz KUHYQEZAZDTYKD-UHFFFAOYSA-N 1 0 221.256 2.100 20 30 BEEDRO C=C(CNC(NCC)=[NH+]CC)c1ccccc1 ZINC000287001675 352109849 /nfs/dbraw/zinc/10/98/49/352109849.db2.gz FBMRXKCJLHSXEK-UHFFFAOYSA-N 1 0 231.343 2.275 20 30 BEEDRO C=C(CNC(=[NH2+])NCCC)c1ccccc1 ZINC000287019289 352111019 /nfs/dbraw/zinc/11/10/19/352111019.db2.gz GIDZGPSDOIEMGC-UHFFFAOYSA-N 1 0 217.316 2.014 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@@H]1CN(C)[C@@H](C)CC#N ZINC000340292786 352163591 /nfs/dbraw/zinc/16/35/91/352163591.db2.gz ZGNKMHWKFSQFBH-UONOGXRCSA-N 1 0 237.391 2.483 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1c2ccccc2O[C@H]1C ZINC000288756741 352164431 /nfs/dbraw/zinc/16/44/31/352164431.db2.gz RPWZMKVHARRIHG-GWCFXTLKSA-N 1 0 247.342 2.213 20 30 BEEDRO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@H](C)CCC#N ZINC000618888215 352165448 /nfs/dbraw/zinc/16/54/48/352165448.db2.gz ULVSKIIFFOZZDE-KGLIPLIRSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1cccn1C ZINC000618888320 352165795 /nfs/dbraw/zinc/16/57/95/352165795.db2.gz PPJXPOPMWCUTNN-LBPRGKRZSA-N 1 0 219.332 2.397 20 30 BEEDRO CC(C)[C@@H]1CN(C)CC[N@H+]1C[C@@H](C)CCC#N ZINC000618888211 352165809 /nfs/dbraw/zinc/16/58/09/352165809.db2.gz ULVSKIIFFOZZDE-KBPBESRZSA-N 1 0 237.391 2.198 20 30 BEEDRO C=CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288840667 352166594 /nfs/dbraw/zinc/16/65/94/352166594.db2.gz ONMFUARKTAOPNP-HNNXBMFYSA-N 1 0 249.329 2.239 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000340312977 352180831 /nfs/dbraw/zinc/18/08/31/352180831.db2.gz QECXXSGPZIIFOB-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000289695989 352195148 /nfs/dbraw/zinc/19/51/48/352195148.db2.gz IJZLJBYOLWIBST-UKRRQHHQSA-N 1 0 233.355 2.453 20 30 BEEDRO C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC#N ZINC000020199743 352140817 /nfs/dbraw/zinc/14/08/17/352140817.db2.gz RKSWFQSISUIKJL-NSHDSACASA-N 1 0 218.300 2.217 20 30 BEEDRO C[C@@H](CF)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000288349896 352146033 /nfs/dbraw/zinc/14/60/33/352146033.db2.gz BYGFXVUKBWJHCZ-LBPRGKRZSA-N 1 0 249.333 2.484 20 30 BEEDRO CCC[NH2+]CCNc1ccc(F)cc1C#N ZINC000082516560 535173740 /nfs/dbraw/zinc/17/37/40/535173740.db2.gz WWRBFQKTBMMUCS-UHFFFAOYSA-N 1 0 221.279 2.109 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000290069419 352209227 /nfs/dbraw/zinc/20/92/27/352209227.db2.gz YFCDOQVSOYNPKK-NSHDSACASA-N 1 0 225.723 2.359 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c1 ZINC000230670996 352221092 /nfs/dbraw/zinc/22/10/92/352221092.db2.gz JTLPXLZJERKRAP-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC1(C#N)CC1 ZINC000613389577 363153906 /nfs/dbraw/zinc/15/39/06/363153906.db2.gz OAXQHYSDNWCVBH-JSGCOSHPSA-N 1 0 244.338 2.044 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000638454546 352263880 /nfs/dbraw/zinc/26/38/80/352263880.db2.gz IMXJPKIZSZKRPQ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CCC(C)(C)[NH3+] ZINC000638455116 352265441 /nfs/dbraw/zinc/26/54/41/352265441.db2.gz QURWRXUUGCRFBH-UHFFFAOYSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]([NH3+])CC(C)C ZINC000638455544 352266175 /nfs/dbraw/zinc/26/61/75/352266175.db2.gz XFKOLBZQLOVMPX-LLVKDONJSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000638455486 352266229 /nfs/dbraw/zinc/26/62/29/352266229.db2.gz VYQYNQGFUUMSCD-ZDUSSCGKSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638455774 352266290 /nfs/dbraw/zinc/26/62/90/352266290.db2.gz ZRIHRYPMRLKXAA-SNVBAGLBSA-N 1 0 226.364 2.078 20 30 BEEDRO C=Cc1ccc(CCNC(=[NH2+])NCCC)cc1 ZINC000290888079 352247632 /nfs/dbraw/zinc/24/76/32/352247632.db2.gz CNVLWNXWZYDFNR-UHFFFAOYSA-N 1 0 231.343 2.186 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCN([C@H](C)CCC#N)C1 ZINC000411300912 191175609 /nfs/dbraw/zinc/17/56/09/191175609.db2.gz RAVYIEHOCWGFOA-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[N@H+](CCc1cncs1)C1CC1 ZINC000411453936 191187389 /nfs/dbraw/zinc/18/73/89/191187389.db2.gz XHTOGEMWSZKKEQ-UHFFFAOYSA-N 1 0 208.330 2.336 20 30 BEEDRO COc1ccncc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000294110340 352369965 /nfs/dbraw/zinc/36/99/65/352369965.db2.gz JZUWSZAYLFMJDG-DGCLKSJQSA-N 1 0 245.326 2.262 20 30 BEEDRO COCC1(C)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411456452 191187964 /nfs/dbraw/zinc/18/79/64/191187964.db2.gz ZNYKIMXSFADHBQ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1C[N@H+](CCC2(C#N)CCCCC2)C[C@@H]1O ZINC000411449654 191188106 /nfs/dbraw/zinc/18/81/06/191188106.db2.gz XMBJABLDOOSYRW-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO COC1(C)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000411485125 191188557 /nfs/dbraw/zinc/18/85/57/191188557.db2.gz QFQSVWLDFXIHBM-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CO)[C@H](C)[NH2+]CCC1(C#N)CCCCC1 ZINC000411526806 191191051 /nfs/dbraw/zinc/19/10/51/191191051.db2.gz FAKVYEASMNAIEW-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@H](C)CCC#N)CC[C@H]1C ZINC000411617547 191198857 /nfs/dbraw/zinc/19/88/57/191198857.db2.gz UFVUKXPTGBXVNM-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO N#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000411662483 191200622 /nfs/dbraw/zinc/20/06/22/191200622.db2.gz OASQTEDUWCVURJ-MJBXVCDLSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000411656935 191201058 /nfs/dbraw/zinc/20/10/58/191201058.db2.gz DSQNDEJJVNFNDP-WZRBSPASSA-N 1 0 222.332 2.178 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCC1(O)CCC1 ZINC000411655531 191201410 /nfs/dbraw/zinc/20/14/10/191201410.db2.gz KTLOSRRYLBCYCG-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411659756 191201531 /nfs/dbraw/zinc/20/15/31/191201531.db2.gz QCPZMWHYEYKIKQ-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO N#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000411662481 191201566 /nfs/dbraw/zinc/20/15/66/191201566.db2.gz OASQTEDUWCVURJ-MCIONIFRSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000411656932 191201872 /nfs/dbraw/zinc/20/18/72/191201872.db2.gz DSQNDEJJVNFNDP-DMDPSCGWSA-N 1 0 222.332 2.178 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCCO1 ZINC000411681216 191205253 /nfs/dbraw/zinc/20/52/53/191205253.db2.gz ZFRBNSJSKJVSKI-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CCCCO[C@H]1C[C@H]([NH2+]CCC#N)C1(C)C ZINC000411720338 191205563 /nfs/dbraw/zinc/20/55/63/191205563.db2.gz MUBDTSHKHZDLIZ-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[N@H+](CCC1(C#N)CCCCC1)C1(CO)CC1 ZINC000411729140 191207754 /nfs/dbraw/zinc/20/77/54/191207754.db2.gz UWASZQYTGQVPRG-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411540381 191192352 /nfs/dbraw/zinc/19/23/52/191192352.db2.gz GSNCTRMYZVNMMO-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCOCC2(CCC2)C1 ZINC000411532142 191192406 /nfs/dbraw/zinc/19/24/06/191192406.db2.gz XUOFUVVXDSACJV-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411540382 191192598 /nfs/dbraw/zinc/19/25/98/191192598.db2.gz GSNCTRMYZVNMMO-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](CO)c1ccsc1 ZINC000411537986 191193003 /nfs/dbraw/zinc/19/30/03/191193003.db2.gz AONMCXVKYNUNBW-KOLCDFICSA-N 1 0 224.329 2.063 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411565386 191194472 /nfs/dbraw/zinc/19/44/72/191194472.db2.gz FEGDGJSFMVVYQC-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCC#N ZINC000411558725 191195618 /nfs/dbraw/zinc/19/56/18/191195618.db2.gz MHYRZUHXYGKKIQ-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCC#N)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000411760296 191209012 /nfs/dbraw/zinc/20/90/12/191209012.db2.gz RWSJHLMZXVABKA-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000411762707 191209362 /nfs/dbraw/zinc/20/93/62/191209362.db2.gz XPDCDHRTWJRWNW-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000411760302 191209425 /nfs/dbraw/zinc/20/94/25/191209425.db2.gz RWSJHLMZXVABKA-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000411780645 191210494 /nfs/dbraw/zinc/21/04/94/191210494.db2.gz ALBIVLVQTROOLV-YIYPIFLZSA-N 1 0 236.359 2.162 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)CC1(C)C ZINC000411787670 191211193 /nfs/dbraw/zinc/21/11/93/191211193.db2.gz LECIFYSWOYCPQH-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCO[C@H](C3CCC3)C2)C1 ZINC000411836921 191214077 /nfs/dbraw/zinc/21/40/77/191214077.db2.gz ALRFPKMQRKWNLE-XBFCOCLRSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CCCC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638670042 352512372 /nfs/dbraw/zinc/51/23/72/352512372.db2.gz AAAKONIWECQMAD-UHFFFAOYSA-N 1 0 246.310 2.073 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000583481276 352552153 /nfs/dbraw/zinc/55/21/53/352552153.db2.gz QHEKMASERGVZSP-QWHCGFSZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)[C@@H](OC)c1ccccc1 ZINC000279151313 187752105 /nfs/dbraw/zinc/75/21/05/187752105.db2.gz AQDNIFOJYDXJLP-NWANDNLSSA-N 1 0 249.354 2.289 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411881456 191226732 /nfs/dbraw/zinc/22/67/32/191226732.db2.gz XIGKOTWEDHSNNS-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CCN1CC[C@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000389511870 352621436 /nfs/dbraw/zinc/62/14/36/352621436.db2.gz FEMJQOBZTSNDSC-WFASDCNBSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCO[C@H](C2CCC2)C1 ZINC000411853784 191221429 /nfs/dbraw/zinc/22/14/29/191221429.db2.gz SLXQFAIYMWIGBM-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@](C)([C@H](C)[NH2+]CC1(C#N)CC1)C1CC1 ZINC000411974088 191233860 /nfs/dbraw/zinc/23/38/60/191233860.db2.gz SQYNSRZRIICXPS-CMPLNLGQSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000411993388 191235728 /nfs/dbraw/zinc/23/57/28/191235728.db2.gz ZFKWENZMKLTWDM-KBPBESRZSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000411981477 191235940 /nfs/dbraw/zinc/23/59/40/191235940.db2.gz AWYKZCCGDOOXTJ-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000336744004 352678667 /nfs/dbraw/zinc/67/86/67/352678667.db2.gz YSQOFPTVVITGBC-UPJWGTAASA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412047150 191243953 /nfs/dbraw/zinc/24/39/53/191243953.db2.gz RYYUFCHOXPGBST-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000638748052 352683102 /nfs/dbraw/zinc/68/31/02/352683102.db2.gz JMPKYIOSDXGFER-TZMCWYRMSA-N 1 0 219.328 2.408 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000638751277 352684282 /nfs/dbraw/zinc/68/42/82/352684282.db2.gz XYSVVYFXBZLWOU-MWLCHTKSSA-N 1 0 205.305 2.035 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000154485222 538105416 /nfs/dbraw/zinc/10/54/16/538105416.db2.gz KZBMNAYXRCGEOU-OAHLLOKOSA-N 1 0 247.313 2.288 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000334239031 352857637 /nfs/dbraw/zinc/85/76/37/352857637.db2.gz KLGNTUIVVSNYRJ-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000342810317 352861144 /nfs/dbraw/zinc/86/11/44/352861144.db2.gz XHQPKDVNOTWXJA-YNEHKIRRSA-N 1 0 243.391 2.089 20 30 BEEDRO COCCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336747519 352907205 /nfs/dbraw/zinc/90/72/05/352907205.db2.gz BYBJPSQDJAXFAR-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC#N)C1 ZINC000334331925 352968853 /nfs/dbraw/zinc/96/88/53/352968853.db2.gz QHZLHGWHXISYJV-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCOC1 ZINC000336750326 353034958 /nfs/dbraw/zinc/03/49/58/353034958.db2.gz UQDGGTVKOXXPOI-QNWHQSFQSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]1CN(CC#N)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000334356076 352996558 /nfs/dbraw/zinc/99/65/58/352996558.db2.gz MDNXIELGQBHOMO-UONOGXRCSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1c(C)cccc1OC ZINC000638831058 353010550 /nfs/dbraw/zinc/01/05/50/353010550.db2.gz WPTGQYQHZYWBBM-CYBMUJFWSA-N 1 0 249.354 2.278 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000412108333 191262180 /nfs/dbraw/zinc/26/21/80/191262180.db2.gz SDGLYFXANLXCBT-ZDUSSCGKSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C(C)CN1CCC([NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000336751425 353058648 /nfs/dbraw/zinc/05/86/48/353058648.db2.gz VHVYOWJQLPMROU-CHWSQXEVSA-N 1 0 222.376 2.273 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000638875993 353042473 /nfs/dbraw/zinc/04/24/73/353042473.db2.gz VIZDIMWLCQVUJF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2ncc[nH]2)CC1 ZINC000428229056 538107886 /nfs/dbraw/zinc/10/78/86/538107886.db2.gz DTPKTKNPBXBWFV-GFCCVEGCSA-N 1 0 248.374 2.101 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000336752697 353090269 /nfs/dbraw/zinc/09/02/69/353090269.db2.gz GJIUKWRLDNKJBN-MNOVXSKESA-N 1 0 212.337 2.329 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1nccnc1C ZINC000188204647 353128052 /nfs/dbraw/zinc/12/80/52/353128052.db2.gz OHKXSYJASPWUSX-GXSJLCMTSA-N 1 0 205.305 2.400 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000032103716 188059835 /nfs/dbraw/zinc/05/98/35/188059835.db2.gz UGAVHHYSZFFGET-ZDUSSCGKSA-N 1 0 248.326 2.173 20 30 BEEDRO C=C(C)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000268209322 188089319 /nfs/dbraw/zinc/08/93/19/188089319.db2.gz ZVZKONYHYNFUMH-CQSZACIVSA-N 1 0 217.312 2.154 20 30 BEEDRO C#CCC[N@@H+](Cc1ccc(O)c(OC)c1)C1CC1 ZINC000270673707 188089336 /nfs/dbraw/zinc/08/93/36/188089336.db2.gz UEZPLOHEQWAHQU-UHFFFAOYSA-N 1 0 245.322 2.389 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1C(=O)OC(C)C ZINC000125415025 353178717 /nfs/dbraw/zinc/17/87/17/353178717.db2.gz XJGPOVSFBCQVAF-LBPRGKRZSA-N 1 0 225.332 2.369 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C1CC1 ZINC000274174016 188091896 /nfs/dbraw/zinc/09/18/96/188091896.db2.gz NZWLPGKPJUFOTK-CQSZACIVSA-N 1 0 249.741 2.471 20 30 BEEDRO C=C(C)CC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000274880047 188092707 /nfs/dbraw/zinc/09/27/07/188092707.db2.gz ZOTLNAIHYJTZEM-UHFFFAOYSA-N 1 0 245.370 2.165 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(CO)o1 ZINC000274603545 188092983 /nfs/dbraw/zinc/09/29/83/188092983.db2.gz QVDKYRLLMWFZAD-UHFFFAOYSA-N 1 0 209.289 2.218 20 30 BEEDRO C=C(C)CC[NH+]1CCN(Cc2ccco2)CC1 ZINC000274742999 188093009 /nfs/dbraw/zinc/09/30/09/188093009.db2.gz FQFFMNKWWALEGF-UHFFFAOYSA-N 1 0 234.343 2.363 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1ccnn1C ZINC000278722400 188096236 /nfs/dbraw/zinc/09/62/36/188096236.db2.gz MGYMEAJVIKGHRA-NSHDSACASA-N 1 0 207.321 2.427 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000336261727 188097609 /nfs/dbraw/zinc/09/76/09/188097609.db2.gz LWDILWDYJULCKE-ZDUSSCGKSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1(O)CCC1 ZINC000336762134 353196578 /nfs/dbraw/zinc/19/65/78/353196578.db2.gz NVHPCSCLYGRSFB-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)COCC[NH2+]CC1(OC)CCCC1 ZINC000336762143 353197348 /nfs/dbraw/zinc/19/73/48/353197348.db2.gz LDYJUVJXAKZIOS-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000040773906 188118454 /nfs/dbraw/zinc/11/84/54/188118454.db2.gz BWYLMCMUEHEWLJ-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc(OC)cc1 ZINC000085300145 188124340 /nfs/dbraw/zinc/12/43/40/188124340.db2.gz MLDLNWZPDUISBD-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO CC#CCC[N@H+](CCCO)Cc1ccccc1 ZINC000156488608 188155392 /nfs/dbraw/zinc/15/53/92/188155392.db2.gz LHZWHDGVNMGNRS-UHFFFAOYSA-N 1 0 231.339 2.284 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000121167704 324004077 /nfs/dbraw/zinc/00/40/77/324004077.db2.gz IPGHIANHXCEONS-LBPRGKRZSA-N 1 0 226.364 2.138 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](CCOC)COC ZINC000336763897 353248839 /nfs/dbraw/zinc/24/88/39/353248839.db2.gz MQIKZECBJBYEPJ-AVGNSLFASA-N 1 0 229.364 2.228 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]Cc1cc(C#N)cs1 ZINC000165223937 353249576 /nfs/dbraw/zinc/24/95/76/353249576.db2.gz QMDIKMOINLQXIL-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccccc1F ZINC000336764675 353257084 /nfs/dbraw/zinc/25/70/84/353257084.db2.gz QLXHYRIMJOBOFY-NXEZZACHSA-N 1 0 209.264 2.023 20 30 BEEDRO CCc1cc(CCC[NH2+][C@H]2CCC[C@H]2C#N)on1 ZINC000331331704 353240940 /nfs/dbraw/zinc/24/09/40/353240940.db2.gz HSYMDZYFPUUAKS-FZMZJTMJSA-N 1 0 247.342 2.451 20 30 BEEDRO CCc1cc(CCC[NH+]2CCC(C#N)CC2)on1 ZINC000331337263 353241818 /nfs/dbraw/zinc/24/18/18/353241818.db2.gz QTISAZDHMUFUSL-UHFFFAOYSA-N 1 0 247.342 2.405 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc2c1OCO2 ZINC000070591835 353259794 /nfs/dbraw/zinc/25/97/94/353259794.db2.gz MBDLPJQBOVUHQE-UHFFFAOYSA-N 1 0 219.284 2.471 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071004792 353262329 /nfs/dbraw/zinc/26/23/29/353262329.db2.gz AWWDQFSRMLBPBK-UHFFFAOYSA-N 1 0 246.354 2.141 20 30 BEEDRO C=CC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000127156622 353263318 /nfs/dbraw/zinc/26/33/18/353263318.db2.gz MBDDPBHVPORTIK-CYBMUJFWSA-N 1 0 205.301 2.012 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000160564661 353266046 /nfs/dbraw/zinc/26/60/46/353266046.db2.gz XLQJFAPLPNYDKD-JTQLQIEISA-N 1 0 218.256 2.269 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C1CCCC1 ZINC000336771963 353310928 /nfs/dbraw/zinc/31/09/28/353310928.db2.gz XTKWYVONRXZPCB-RYUDHWBXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccco1 ZINC000336770195 353299831 /nfs/dbraw/zinc/29/98/31/353299831.db2.gz WIZQPVUUUFELBU-WDEREUQCSA-N 1 0 209.289 2.115 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000130004552 353338110 /nfs/dbraw/zinc/33/81/10/353338110.db2.gz LXWLSNSCEVHZGQ-JTQLQIEISA-N 1 0 238.331 2.238 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000336773607 353330831 /nfs/dbraw/zinc/33/08/31/353330831.db2.gz YUOHYHDNZFYSCX-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2nc(C)no2)C1 ZINC000054341673 353333365 /nfs/dbraw/zinc/33/33/65/353333365.db2.gz XHPIHCXMMIQYIC-LLVKDONJSA-N 1 0 221.304 2.134 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2nc(C)no2)CC1 ZINC000054347530 353333372 /nfs/dbraw/zinc/33/33/72/353333372.db2.gz VNONRSRPCKTKGW-UHFFFAOYSA-N 1 0 221.304 2.134 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000129342437 353313655 /nfs/dbraw/zinc/31/36/55/353313655.db2.gz HKOXDDPGHANIDV-CHWSQXEVSA-N 1 0 240.416 2.122 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](C)c1nccs1 ZINC000130690054 353357168 /nfs/dbraw/zinc/35/71/68/353357168.db2.gz LWVWSXAKDXCNIE-JTQLQIEISA-N 1 0 208.330 2.202 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cn(C)nc1C ZINC000130736331 353357494 /nfs/dbraw/zinc/35/74/94/353357494.db2.gz JVPVHMCHHGAWPI-LLVKDONJSA-N 1 0 219.332 2.183 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639055969 353366142 /nfs/dbraw/zinc/36/61/42/353366142.db2.gz FHGCFQPEQMJKIL-CHWSQXEVSA-N 1 0 238.375 2.380 20 30 BEEDRO C#CCN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000077371875 353349823 /nfs/dbraw/zinc/34/98/23/353349823.db2.gz IDGQYPYSIWALDO-HNNXBMFYSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cccc(C)n2)CC1 ZINC000077316774 353349902 /nfs/dbraw/zinc/34/99/02/353349902.db2.gz JSGZQSUSCRFPJZ-UHFFFAOYSA-N 1 0 231.343 2.452 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc2c1OCCO2 ZINC000130439005 353350556 /nfs/dbraw/zinc/35/05/56/353350556.db2.gz RETIOHRWVNJXDE-SNVBAGLBSA-N 1 0 219.284 2.122 20 30 BEEDRO C=C(C[NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000131998877 353374507 /nfs/dbraw/zinc/37/45/07/353374507.db2.gz OWFKMSBOXMVIAN-CYBMUJFWSA-N 1 0 203.285 2.078 20 30 BEEDRO C=CC[NH2+]C1(C(=O)NCCCC)CCCCC1 ZINC000132831678 353389404 /nfs/dbraw/zinc/38/94/04/353389404.db2.gz CTXAEBUINQWEAN-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO CC#CC[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000336774362 353422013 /nfs/dbraw/zinc/42/20/13/353422013.db2.gz ZLLBIFBPTGOHCN-UHFFFAOYSA-N 1 0 202.301 2.238 20 30 BEEDRO C=CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190529788 353400930 /nfs/dbraw/zinc/40/09/30/353400930.db2.gz UNTBDVRRUOTZEA-UHFFFAOYSA-N 1 0 236.290 2.250 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](Cc1cccnc1)C1CC1 ZINC000180743020 353402730 /nfs/dbraw/zinc/40/27/30/353402730.db2.gz XYWNZZDQRGAPPL-OAHLLOKOSA-N 1 0 246.354 2.373 20 30 BEEDRO CC#CC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289997584 353411820 /nfs/dbraw/zinc/41/18/20/353411820.db2.gz YVXCIMFPUUZQFD-GFCCVEGCSA-N 1 0 237.368 2.421 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1Cc1ccccc1OC ZINC000058525602 353416402 /nfs/dbraw/zinc/41/64/02/353416402.db2.gz JDPICMKDOBUGNC-AWEZNQCLSA-N 1 0 229.323 2.335 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)c1cccs1 ZINC000308630912 538117151 /nfs/dbraw/zinc/11/71/51/538117151.db2.gz YWPPJDBFYOOJRJ-JTQLQIEISA-N 1 0 209.314 2.049 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC(=O)NCC(F)F ZINC000280966796 353431982 /nfs/dbraw/zinc/43/19/82/353431982.db2.gz VCPDJCUUEDVWAR-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(CC)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000412402068 191279485 /nfs/dbraw/zinc/27/94/85/191279485.db2.gz IVJALGYPJUXUSQ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](COC)c1ccccc1 ZINC000181687498 353437845 /nfs/dbraw/zinc/43/78/45/353437845.db2.gz YJUMLNAQZLWADD-HUUCEWRRSA-N 1 0 249.354 2.291 20 30 BEEDRO CN(C)c1cccc(CN(C)CC2(C#N)CC2)c1 ZINC000343303454 353487183 /nfs/dbraw/zinc/48/71/83/353487183.db2.gz NUXPVBIJPZBLBK-UHFFFAOYSA-N 1 0 243.354 2.488 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cn(C)nc1C ZINC000093533535 353489755 /nfs/dbraw/zinc/48/97/55/353489755.db2.gz MKMFZVCQLWLWOU-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccncc2)CC1 ZINC000191667434 353505259 /nfs/dbraw/zinc/50/52/59/353505259.db2.gz AIGMVDUTVHAVHQ-UHFFFAOYSA-N 1 0 214.312 2.284 20 30 BEEDRO C=C(C)CN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284820584 353522119 /nfs/dbraw/zinc/52/21/19/353522119.db2.gz QYKZJUKKSRLPIX-INIZCTEOSA-N 1 0 244.382 2.421 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](OC)[C@H](C)CC ZINC000639101052 353529383 /nfs/dbraw/zinc/52/93/83/353529383.db2.gz UMGOYSMQQSGTJN-CHWSQXEVSA-N 1 0 229.364 2.182 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H](OC)[C@@H](C)CC ZINC000639101055 353529468 /nfs/dbraw/zinc/52/94/68/353529468.db2.gz UMGOYSMQQSGTJN-STQMWFEESA-N 1 0 229.364 2.182 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CCCCF)n1 ZINC000285141677 353530022 /nfs/dbraw/zinc/53/00/22/353530022.db2.gz AUZSMYPTSQEVIV-UHFFFAOYSA-N 1 0 237.322 2.088 20 30 BEEDRO COCC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000192022573 353532675 /nfs/dbraw/zinc/53/26/75/353532675.db2.gz KIYGCTVCMCBYIQ-UHFFFAOYSA-N 1 0 243.350 2.397 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000285317600 353532899 /nfs/dbraw/zinc/53/28/99/353532899.db2.gz NHTGKQMIBNRTEJ-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H]1c1nc(C)no1 ZINC000285633340 353537497 /nfs/dbraw/zinc/53/74/97/353537497.db2.gz LKTZCWBYOBPYBB-LBPRGKRZSA-N 1 0 233.315 2.318 20 30 BEEDRO C#CC[N@H+](C)CCCOCc1ccccc1 ZINC000192239644 353537854 /nfs/dbraw/zinc/53/78/54/353537854.db2.gz DGCSUBPPMNKAEV-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C#CC[N@@H+](CCC(=O)CC)Cc1ccccc1 ZINC000285740246 353541040 /nfs/dbraw/zinc/54/10/40/353541040.db2.gz QHFQPJKCHTXVQU-UHFFFAOYSA-N 1 0 229.323 2.491 20 30 BEEDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1CC#Cc1ccccc1 ZINC000192120024 353542580 /nfs/dbraw/zinc/54/25/80/353542580.db2.gz INZJMAYQVQSUHF-GDBMZVCRSA-N 1 0 243.350 2.273 20 30 BEEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CC#Cc1ccccc1 ZINC000192120042 353542889 /nfs/dbraw/zinc/54/28/89/353542889.db2.gz INZJMAYQVQSUHF-HOCLYGCPSA-N 1 0 243.350 2.273 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@@H](CO)C(C)(C)C ZINC000192120365 353543941 /nfs/dbraw/zinc/54/39/41/353543941.db2.gz IFNPMEISESDUEC-HNNXBMFYSA-N 1 0 245.366 2.377 20 30 BEEDRO C[C@H](CCCCO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399006161 353549648 /nfs/dbraw/zinc/54/96/48/353549648.db2.gz YJDFMQXBKAWZFP-CYBMUJFWSA-N 1 0 246.354 2.393 20 30 BEEDRO C=CCOCC[NH2+][C@@H](COC)c1ccccc1 ZINC000287271793 353575163 /nfs/dbraw/zinc/57/51/63/353575163.db2.gz AZEZQUXOBUAQAP-AWEZNQCLSA-N 1 0 235.327 2.166 20 30 BEEDRO C=C(CNC(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC000288410192 353599600 /nfs/dbraw/zinc/59/96/00/353599600.db2.gz ZEVIREHMILNFMB-CQSZACIVSA-N 1 0 246.354 2.156 20 30 BEEDRO C#CC[N@H+](CCn1cccn1)Cc1ccccc1 ZINC000285772653 353550979 /nfs/dbraw/zinc/55/09/79/353550979.db2.gz SEQBKMNJSKCIBX-UHFFFAOYSA-N 1 0 239.322 2.019 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)c1ccccc1F ZINC000286223051 353553560 /nfs/dbraw/zinc/55/35/60/353553560.db2.gz QYYOCIIRMCULDS-CYBMUJFWSA-N 1 0 235.302 2.203 20 30 BEEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286226307 353553620 /nfs/dbraw/zinc/55/36/20/353553620.db2.gz YXZSCEDXJCHHQG-PMPSAXMXSA-N 1 0 241.334 2.124 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1scnc1C ZINC000286018188 353555431 /nfs/dbraw/zinc/55/54/31/353555431.db2.gz HFQMBPZBAHMONY-UHFFFAOYSA-N 1 0 222.357 2.338 20 30 BEEDRO C#CCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271828383 188445413 /nfs/dbraw/zinc/44/54/13/188445413.db2.gz TZGLFCOMXKNTFT-AWEZNQCLSA-N 1 0 217.312 2.113 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2OC ZINC000273391269 188445636 /nfs/dbraw/zinc/44/56/36/188445636.db2.gz DRAQPCRKPNKKJI-BXUZGUMPSA-N 1 0 247.338 2.209 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+][C@H](CC)CC#N ZINC000336780328 353572885 /nfs/dbraw/zinc/57/28/85/353572885.db2.gz QYCHQAINGYNINV-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(F)ccc1O)C(C)C ZINC000289383230 353626813 /nfs/dbraw/zinc/62/68/13/353626813.db2.gz MQOYPWLUXUNKRB-LBPRGKRZSA-N 1 0 221.275 2.279 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000289396236 353627948 /nfs/dbraw/zinc/62/79/48/353627948.db2.gz OBGXKENUTKYMGH-SECBINFHSA-N 1 0 245.351 2.385 20 30 BEEDRO C#Cc1ccc(CN(CC)CCC[NH+](C)C)cc1 ZINC000289485667 353630020 /nfs/dbraw/zinc/63/00/20/353630020.db2.gz RADRQDGBHXGBQA-UHFFFAOYSA-N 1 0 244.382 2.442 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289482329 353630340 /nfs/dbraw/zinc/63/03/40/353630340.db2.gz ZYKKAJWWWFWAEO-CYBMUJFWSA-N 1 0 202.301 2.447 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(C#N)c1)C(C)C ZINC000289518810 353630430 /nfs/dbraw/zinc/63/04/30/353630430.db2.gz PEDUCIMNYOYMHU-CQSZACIVSA-N 1 0 212.296 2.306 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000289523564 353631033 /nfs/dbraw/zinc/63/10/33/353631033.db2.gz POPLYAZYLKDORA-LBPRGKRZSA-N 1 0 232.283 2.342 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000289566256 353632514 /nfs/dbraw/zinc/63/25/14/353632514.db2.gz ARIFRQLLJZQKEW-GXSJLCMTSA-N 1 0 248.351 2.494 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(O)cc(F)c1)C(C)C ZINC000289564020 353632572 /nfs/dbraw/zinc/63/25/72/353632572.db2.gz RZVXUAOXGFWDHS-ZDUSSCGKSA-N 1 0 221.275 2.279 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCc1ccccc1F ZINC000289580761 353633536 /nfs/dbraw/zinc/63/35/36/353633536.db2.gz BMQVIRNZFWFYBS-DGCLKSJQSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000289776599 353635069 /nfs/dbraw/zinc/63/50/69/353635069.db2.gz MKQRNRLILJFRFL-DGCLKSJQSA-N 1 0 235.327 2.288 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000289801483 353636466 /nfs/dbraw/zinc/63/64/66/353636466.db2.gz NYKDUYBMAABAFA-CBAPKCEASA-N 1 0 245.244 2.301 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000289801486 353636508 /nfs/dbraw/zinc/63/65/08/353636508.db2.gz NYKDUYBMAABAFA-IONNQARKSA-N 1 0 245.244 2.301 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C/c1ccccc1OC ZINC000184262195 353637567 /nfs/dbraw/zinc/63/75/67/353637567.db2.gz QPCYXFNGUIFKJE-VIIAAUOXSA-N 1 0 247.338 2.235 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H](CO)CC=C)c1 ZINC000184262941 353637585 /nfs/dbraw/zinc/63/75/85/353637585.db2.gz JXZLRRNYALLWRJ-CQSZACIVSA-N 1 0 247.338 2.278 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000289875249 353640540 /nfs/dbraw/zinc/64/05/40/353640540.db2.gz RRCGPLMJGCHMKF-FZMZJTMJSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000289861950 353640891 /nfs/dbraw/zinc/64/08/91/353640891.db2.gz QZDAERDXBRVBEO-VXGBXAGGSA-N 1 0 235.327 2.207 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000289997619 353645596 /nfs/dbraw/zinc/64/55/96/353645596.db2.gz SUAUXMJUTGNLOB-LBPRGKRZSA-N 1 0 237.734 2.197 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CCn1cccn1)C(C)(C)C ZINC000290114909 353649219 /nfs/dbraw/zinc/64/92/19/353649219.db2.gz ILPMGDNPJYDKHW-QWHCGFSZSA-N 1 0 233.359 2.299 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCOC[C@@H]2C2CC2)cc1 ZINC000290159948 353649569 /nfs/dbraw/zinc/64/95/69/353649569.db2.gz XJNYJNTXGKRHLF-MRXNPFEDSA-N 1 0 241.334 2.279 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCOC[C@H]2C2CC2)cc1 ZINC000290159944 353649577 /nfs/dbraw/zinc/64/95/77/353649577.db2.gz XJNYJNTXGKRHLF-INIZCTEOSA-N 1 0 241.334 2.279 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2nccn21)C(C)(C)C ZINC000290147102 353650039 /nfs/dbraw/zinc/65/00/39/353650039.db2.gz KXIFHBNNOYFBLQ-ZDUSSCGKSA-N 1 0 241.338 2.472 20 30 BEEDRO C=CC[NH+](CC=C)CC1CCC(=O)CC1 ZINC000290186689 353650595 /nfs/dbraw/zinc/65/05/95/353650595.db2.gz ZRLTZVRMVBEQRY-UHFFFAOYSA-N 1 0 207.317 2.420 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](c1nncn1C)C(C)C ZINC000289339549 353613269 /nfs/dbraw/zinc/61/32/69/353613269.db2.gz HQLVFUOZHDDILK-NEPJUHHUSA-N 1 0 236.363 2.457 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CO)CC(C)C)cc1 ZINC000289357891 353613707 /nfs/dbraw/zinc/61/37/07/353613707.db2.gz YHZPNQBMALQUME-HNNXBMFYSA-N 1 0 231.339 2.165 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cncc(OC)c1 ZINC000289348161 353613865 /nfs/dbraw/zinc/61/38/65/353613865.db2.gz FTYKUZWADDMIJH-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO N#CC1(C[N@H+]2CCCC[C@@H]2C2(O)CC2)CCC1 ZINC000334515996 353616245 /nfs/dbraw/zinc/61/62/45/353616245.db2.gz SXOBDCNDIGYBJR-GFCCVEGCSA-N 1 0 234.343 2.060 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000289035709 353616934 /nfs/dbraw/zinc/61/69/34/353616934.db2.gz HJMGSMAEHYKMEP-HOTGVXAUSA-N 1 0 241.334 2.421 20 30 BEEDRO C#CCCOc1ccc(C[NH2+][C@H](C)C#C)cc1 ZINC000289091152 353618154 /nfs/dbraw/zinc/61/81/54/353618154.db2.gz BMVVXMRJENDFEG-CYBMUJFWSA-N 1 0 227.307 2.200 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000289105805 353618342 /nfs/dbraw/zinc/61/83/42/353618342.db2.gz CNLLLQQJAUJHNU-ZDUSSCGKSA-N 1 0 232.283 2.342 20 30 BEEDRO C[C@@H](O)C[N@H+](CC1(C#N)CC1)C1CCCCC1 ZINC000343312980 353618563 /nfs/dbraw/zinc/61/85/63/353618563.db2.gz FSBOGSJUELNFOB-GFCCVEGCSA-N 1 0 236.359 2.306 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)cc1 ZINC000290487764 353656668 /nfs/dbraw/zinc/65/66/68/353656668.db2.gz VSFXEHZHYVEZTP-STQMWFEESA-N 1 0 231.339 2.165 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](CC)CCO)cc1 ZINC000290499026 353657446 /nfs/dbraw/zinc/65/74/46/353657446.db2.gz WKHUBTPWMRVZBA-AWEZNQCLSA-N 1 0 231.339 2.166 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](CC)CCO)cc1 ZINC000290499028 353657670 /nfs/dbraw/zinc/65/76/70/353657670.db2.gz WKHUBTPWMRVZBA-CQSZACIVSA-N 1 0 231.339 2.166 20 30 BEEDRO N#Cc1ccnc(NCC[NH+]2CCCCCC2)c1 ZINC000040768128 188474904 /nfs/dbraw/zinc/47/49/04/188474904.db2.gz VEXJFBJSSXJJPX-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](OC)C(C)C)cc1 ZINC000290393880 353661930 /nfs/dbraw/zinc/66/19/30/353661930.db2.gz OTJLUVVWUNETKN-HNNXBMFYSA-N 1 0 231.339 2.429 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)cc1 ZINC000290406064 353663076 /nfs/dbraw/zinc/66/30/76/353663076.db2.gz PSAYONAXBVYBJV-JKSUJKDBSA-N 1 0 243.350 2.309 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000231934644 353671915 /nfs/dbraw/zinc/67/19/15/353671915.db2.gz MLSFBOUGKLFGIO-UHFFFAOYSA-N 1 0 249.379 2.465 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ncnn1C(C)C ZINC000393835848 353674300 /nfs/dbraw/zinc/67/43/00/353674300.db2.gz NNAJTCBNAWJDGP-LLVKDONJSA-N 1 0 222.336 2.303 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1cccc(OC)c1 ZINC000069767496 188467570 /nfs/dbraw/zinc/46/75/70/188467570.db2.gz JKAUSUPMHLKGJN-LLVKDONJSA-N 1 0 203.285 2.369 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CO)C2CCCC2)cc1 ZINC000291008526 353677517 /nfs/dbraw/zinc/67/75/17/353677517.db2.gz WOYDHKWOBKTFHF-INIZCTEOSA-N 1 0 243.350 2.309 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H](C)[NH2+]CCC ZINC000577886127 366097071 /nfs/dbraw/zinc/09/70/71/366097071.db2.gz AUZGLTPHYJPKGH-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000291706636 353697227 /nfs/dbraw/zinc/69/72/27/353697227.db2.gz IIVKUQVJPAGKCQ-INIZCTEOSA-N 1 0 245.366 2.490 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000336781934 353698264 /nfs/dbraw/zinc/69/82/64/353698264.db2.gz WCMWFXDBWNXQFI-GHMZBOCLSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291905174 353701433 /nfs/dbraw/zinc/70/14/33/353701433.db2.gz RLWUYOOTKKBEEM-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292198504 353706027 /nfs/dbraw/zinc/70/60/27/353706027.db2.gz NQCPQZIPLPSDMZ-GXTWGEPZSA-N 1 0 246.354 2.200 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000639113246 353710845 /nfs/dbraw/zinc/71/08/45/353710845.db2.gz YBHQGNPPBCVQSZ-GFCCVEGCSA-N 1 0 218.300 2.328 20 30 BEEDRO COCC(C)(C)[N@H+](C)CC#Cc1ccccc1 ZINC000292124436 353710859 /nfs/dbraw/zinc/71/08/59/353710859.db2.gz KNCXXFJLFVBMFY-UHFFFAOYSA-N 1 0 231.339 2.395 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000293689548 353754056 /nfs/dbraw/zinc/75/40/56/353754056.db2.gz BQZFKQSQVMMEBQ-CYBMUJFWSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000293689555 353754198 /nfs/dbraw/zinc/75/41/98/353754198.db2.gz BQZFKQSQVMMEBQ-ZDUSSCGKSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](CC)[C@@H](C)CO)c1 ZINC000293760251 353756559 /nfs/dbraw/zinc/75/65/59/353756559.db2.gz XPEOFULPWZSABY-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CC[C@H]2COC)c1 ZINC000293673578 353761024 /nfs/dbraw/zinc/76/10/24/353761024.db2.gz PACXAFCXURDDDF-AWEZNQCLSA-N 1 0 247.338 2.472 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)cc1 ZINC000293959192 353764952 /nfs/dbraw/zinc/76/49/52/353764952.db2.gz JGSFMUPAZPXWBN-BBRMVZONSA-N 1 0 243.350 2.309 20 30 BEEDRO CC#CCN(C)Cc1cn2c(cccc2C)n1 ZINC000293285512 353739619 /nfs/dbraw/zinc/73/96/19/353739619.db2.gz VRBFGHDDKDZDAB-UHFFFAOYSA-N 1 0 227.311 2.098 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](Cc1ccccc1)OC ZINC000295690354 353812057 /nfs/dbraw/zinc/81/20/57/353812057.db2.gz IEFAEDFCPCRRPW-AWEZNQCLSA-N 1 0 219.328 2.362 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCc2c1cccc2O ZINC000296923603 353837421 /nfs/dbraw/zinc/83/74/21/353837421.db2.gz WSXIHMIGCJMVAX-RISCZKNCSA-N 1 0 247.338 2.296 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccnc(C#N)c2)C[C@H]1C ZINC000092085414 353860064 /nfs/dbraw/zinc/86/00/64/353860064.db2.gz CYXXWWSIELWBJU-GHMZBOCLSA-N 1 0 215.300 2.041 20 30 BEEDRO C=CCCC[N@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000366831784 353895511 /nfs/dbraw/zinc/89/55/11/353895511.db2.gz OBCIKTLNDJTQRQ-BFHYXJOUSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639132708 353842373 /nfs/dbraw/zinc/84/23/73/353842373.db2.gz SKNCHCNUSFRIGW-FRRDWIJNSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CC(C)(C)CCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000627105725 363266129 /nfs/dbraw/zinc/26/61/29/363266129.db2.gz DCGXWRSDRIZXHQ-WDEREUQCSA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639141929 353849551 /nfs/dbraw/zinc/84/95/51/353849551.db2.gz BZZLLQZXGSUHQX-RDBSUJKOSA-N 1 0 239.359 2.126 20 30 BEEDRO N#CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019513092 181035692 /nfs/dbraw/zinc/03/56/92/181035692.db2.gz QTFSHVMMAWOROS-UHFFFAOYSA-N 1 0 243.354 2.108 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)CCC)C1=O ZINC000343616405 353946270 /nfs/dbraw/zinc/94/62/70/353946270.db2.gz SYNJGRQGPGEIMQ-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[N@H+](C)C(C)C ZINC000343625526 353947358 /nfs/dbraw/zinc/94/73/58/353947358.db2.gz RRBLUJIZWNNRJH-AWEZNQCLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cncc(OC)c1 ZINC000343767635 353980718 /nfs/dbraw/zinc/98/07/18/353980718.db2.gz OKRRGFLGFFDIAH-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000343767674 353980952 /nfs/dbraw/zinc/98/09/52/353980952.db2.gz NAGSSNFMSJZBBM-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000343770583 353983162 /nfs/dbraw/zinc/98/31/62/353983162.db2.gz SLWDEFOVMSOUPG-VXGBXAGGSA-N 1 0 226.364 2.044 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000343770580 353983331 /nfs/dbraw/zinc/98/33/31/353983331.db2.gz SLWDEFOVMSOUPG-NEPJUHHUSA-N 1 0 226.364 2.044 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CC=CCC2)cc1C#N ZINC000189595588 188531297 /nfs/dbraw/zinc/53/12/97/188531297.db2.gz ITLNREGYUKJEJR-LBPRGKRZSA-N 1 0 215.300 2.095 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000336461729 181060758 /nfs/dbraw/zinc/06/07/58/181060758.db2.gz FLSIAACIRNNNSD-IAQYHMDHSA-N 1 0 242.322 2.499 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344027913 354089501 /nfs/dbraw/zinc/08/95/01/354089501.db2.gz KQWKONKHUPHXIQ-STQMWFEESA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344032861 354096873 /nfs/dbraw/zinc/09/68/73/354096873.db2.gz DYRYZBAMPQUBHS-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](CC)C(CC)CC)C1=O ZINC000344033840 354097673 /nfs/dbraw/zinc/09/76/73/354097673.db2.gz FWUVENZDNZMQGB-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000334561908 354116598 /nfs/dbraw/zinc/11/65/98/354116598.db2.gz GUDOTLDQMJJLNI-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(OC)cc1 ZINC000120839890 358484617 /nfs/dbraw/zinc/48/46/17/358484617.db2.gz PQHFBTHQEWSTLX-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CCCc1ccc(C)nc1 ZINC000449694203 202001845 /nfs/dbraw/zinc/00/18/45/202001845.db2.gz ASYJGUXVBKUKMU-HNNXBMFYSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC1CCOCC1 ZINC000449700574 202004759 /nfs/dbraw/zinc/00/47/59/202004759.db2.gz ULIFTGQKNNKYLZ-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C/C=C\c1ccncc1 ZINC000449701078 202004851 /nfs/dbraw/zinc/00/48/51/202004851.db2.gz VXZPZWHNMXBWQT-WSNITJDQSA-N 1 0 232.327 2.012 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000449696829 202005377 /nfs/dbraw/zinc/00/53/77/202005377.db2.gz IZZWAHBVMVLHHJ-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000449734617 202011351 /nfs/dbraw/zinc/01/13/51/202011351.db2.gz NJOXGCWCFUQKRF-JHJVBQTASA-N 1 0 221.344 2.500 20 30 BEEDRO C=C(CC)C[NH2+]C1CCN(CC(F)F)CC1 ZINC000449733588 202011828 /nfs/dbraw/zinc/01/18/28/202011828.db2.gz ISXOHAATHWWPQH-UHFFFAOYSA-N 1 0 232.318 2.272 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC000344265785 354194130 /nfs/dbraw/zinc/19/41/30/354194130.db2.gz QMJBVSXTQBOAQN-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO N#Cc1cc(C[N@H+]2CCCC[C@H]2CO)ccc1F ZINC000229748494 181085151 /nfs/dbraw/zinc/08/51/51/181085151.db2.gz LMZSJQXRURARSW-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCOCC(F)F ZINC000231689431 363350231 /nfs/dbraw/zinc/35/02/31/363350231.db2.gz JZBBFGCOABQSOH-VIFPVBQESA-N 1 0 207.264 2.212 20 30 BEEDRO N#Cc1cc(Cl)ccc1NC[C@H]1CCC[NH2+]1 ZINC000053255440 181087102 /nfs/dbraw/zinc/08/71/02/181087102.db2.gz IWPDZHZTJKPLGE-LLVKDONJSA-N 1 0 235.718 2.376 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000344370691 354245877 /nfs/dbraw/zinc/24/58/77/354245877.db2.gz YEEVWSLDOSACJI-UHFFFAOYSA-N 1 0 237.234 2.127 20 30 BEEDRO N#Cc1ccc(-n2c(N)[nH+]c3ccccc32)cc1 ZINC000020586160 181096230 /nfs/dbraw/zinc/09/62/30/181096230.db2.gz NNZOXLJEBHYRNP-UHFFFAOYSA-N 1 0 234.262 2.479 20 30 BEEDRO C=CCCC[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000344763238 354355726 /nfs/dbraw/zinc/35/57/26/354355726.db2.gz IHMWBIQHLJOBJO-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(O)CCCC2)s1 ZINC000135499934 181107774 /nfs/dbraw/zinc/10/77/74/181107774.db2.gz LNZDLIWMLCWDCX-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO C=CCCC[N@@H+](CC(=O)OCC)CC(C)C ZINC000344589928 354321391 /nfs/dbraw/zinc/32/13/91/354321391.db2.gz VRRPGTBYAZEAFZ-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCCF)s1 ZINC000336691182 181108197 /nfs/dbraw/zinc/10/81/97/181108197.db2.gz PJIAJFJTKDSQRG-UHFFFAOYSA-N 1 0 212.293 2.459 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC#N)C1 ZINC000344606916 354324935 /nfs/dbraw/zinc/32/49/35/354324935.db2.gz VETPXWGVZBYEKZ-MCIONIFRSA-N 1 0 235.375 2.237 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2cscn2)cc1 ZINC000108942300 181108697 /nfs/dbraw/zinc/10/86/97/181108697.db2.gz CRJSXKVBZFFJDR-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000037749064 181108706 /nfs/dbraw/zinc/10/87/06/181108706.db2.gz YPIAJWKOUAZJJD-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)cc1 ZINC000306092635 181109344 /nfs/dbraw/zinc/10/93/44/181109344.db2.gz KPAAYCUAYZNBDT-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000077204418 181109832 /nfs/dbraw/zinc/10/98/32/181109832.db2.gz IWSFDMBUPKPGGU-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@H]3OCC[C@@H]32)o1 ZINC000153830515 181110234 /nfs/dbraw/zinc/11/02/34/181110234.db2.gz FNDGTACDBWBACR-HZSPNIEDSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000219028396 181110263 /nfs/dbraw/zinc/11/02/63/181110263.db2.gz YHYLTPNVVVXEOM-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(CNC(=[NH2+])NC2CCCC2)cc1 ZINC000052046500 181106542 /nfs/dbraw/zinc/10/65/42/181106542.db2.gz WDSCIOHCCPMHFP-UHFFFAOYSA-N 1 0 242.326 2.115 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CCC2)c(F)c1 ZINC000052210545 181107106 /nfs/dbraw/zinc/10/71/06/181107106.db2.gz QGTQRGZPVFKPKJ-UHFFFAOYSA-N 1 0 204.248 2.339 20 30 BEEDRO N#Cc1ccc(Cl)cc1OC[C@H]1CC[NH2+]C1 ZINC000062786611 181112113 /nfs/dbraw/zinc/11/21/13/181112113.db2.gz WBZZJSHUFSKBNK-VIFPVBQESA-N 1 0 236.702 2.200 20 30 BEEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000071138537 181116159 /nfs/dbraw/zinc/11/61/59/181116159.db2.gz UWFXKACQNQRBHX-HNNXBMFYSA-N 1 0 241.338 2.233 20 30 BEEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000071138538 181116540 /nfs/dbraw/zinc/11/65/40/181116540.db2.gz UWFXKACQNQRBHX-OAHLLOKOSA-N 1 0 241.338 2.233 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CCC[NH2+]C2)cc1Cl ZINC000043325361 181124864 /nfs/dbraw/zinc/12/48/64/181124864.db2.gz HOTVQOCPHAHCCA-LLVKDONJSA-N 1 0 235.718 2.376 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cc(C#N)n(C)c1 ZINC000334641813 354397851 /nfs/dbraw/zinc/39/78/51/354397851.db2.gz AGAKNWVJARTTKB-CYBMUJFWSA-N 1 0 229.327 2.437 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000334644743 354403223 /nfs/dbraw/zinc/40/32/23/354403223.db2.gz IWPHKPXUSLYUEI-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1(C)C ZINC000349422503 366191615 /nfs/dbraw/zinc/19/16/15/366191615.db2.gz SCBNWCZBTOTHSG-QNWJLWSRSA-N 1 0 236.359 2.328 20 30 BEEDRO N#Cc1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000062791670 181128978 /nfs/dbraw/zinc/12/89/78/181128978.db2.gz YBRBWTGHSIYAJO-SNVBAGLBSA-N 1 0 236.702 2.342 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000519679192 259456196 /nfs/dbraw/zinc/45/61/96/259456196.db2.gz HZEBMOABOQYSKF-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000310680210 181138112 /nfs/dbraw/zinc/13/81/12/181138112.db2.gz LZSAXJSVWWMEPD-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCc2ccncc2)c1 ZINC000037871544 181138270 /nfs/dbraw/zinc/13/82/70/181138270.db2.gz FVVADAOJMFWZGA-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000334739367 354542881 /nfs/dbraw/zinc/54/28/81/354542881.db2.gz SRXMQZOUTOTWOT-OCCSQVGLSA-N 1 0 229.327 2.480 20 30 BEEDRO N#Cc1cccc(CC[NH2+]Cc2cncs2)c1 ZINC000341507000 181136425 /nfs/dbraw/zinc/13/64/25/181136425.db2.gz ZCTAMRNUBHHSQN-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO N#Cc1cccc(CC[NH2+]CC2CC2)c1 ZINC000308899718 181136481 /nfs/dbraw/zinc/13/64/81/181136481.db2.gz DHTANEFFCUDBQK-UHFFFAOYSA-N 1 0 200.285 2.100 20 30 BEEDRO N#Cc1cccc(C2([NH2+]C[C@H]3CCOC3)CC2)c1 ZINC000341224707 181136793 /nfs/dbraw/zinc/13/67/93/181136793.db2.gz AXUZFMDUKBRJBA-CYBMUJFWSA-N 1 0 242.322 2.173 20 30 BEEDRO N#Cc1cccc(OCC[NH+]2CCCCC2)c1 ZINC000011886274 181143181 /nfs/dbraw/zinc/14/31/81/181143181.db2.gz VJLMZEQZBODOAK-UHFFFAOYSA-N 1 0 230.311 2.423 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275034534 181145610 /nfs/dbraw/zinc/14/56/10/181145610.db2.gz DBFWMZWRKHODNA-SWLSCSKDSA-N 1 0 244.338 2.199 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000335095217 354633848 /nfs/dbraw/zinc/63/38/48/354633848.db2.gz SGAFOXNYTYELKA-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335097232 354637270 /nfs/dbraw/zinc/63/72/70/354637270.db2.gz BPQPHTPICLARDL-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000335097250 354637363 /nfs/dbraw/zinc/63/73/63/354637363.db2.gz BVSZBGDYJAYQHS-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1ccccc1OCC[NH+]1CCCC1 ZINC000011800803 181149474 /nfs/dbraw/zinc/14/94/74/181149474.db2.gz KCCMXHMDQJRQNF-UHFFFAOYSA-N 1 0 216.284 2.033 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346292886 354877744 /nfs/dbraw/zinc/87/77/44/354877744.db2.gz JAKKSEJWVKIUBT-ZJUUUORDSA-N 1 0 235.331 2.181 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000235280916 363440588 /nfs/dbraw/zinc/44/05/88/363440588.db2.gz WXOGLWGHDXJQMJ-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346319606 354895806 /nfs/dbraw/zinc/89/58/06/354895806.db2.gz CHXXYWALUYKJCB-RWMBFGLXSA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@H](O)C[N@H+](C)CCCCC(C)(C)C#N ZINC000235538496 363447214 /nfs/dbraw/zinc/44/72/14/363447214.db2.gz BWCZRXPRJGOFEA-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000234824723 363433422 /nfs/dbraw/zinc/43/34/22/363433422.db2.gz MPZMTZUDSJVTIV-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[NH+](C)[C@H]1CCc2cc(NC(=O)CC#N)ccc21 ZINC000335235581 355096568 /nfs/dbraw/zinc/09/65/68/355096568.db2.gz SPXFGUCUTKYHDW-ZDUSSCGKSA-N 1 0 243.310 2.088 20 30 BEEDRO C=CCN(CCc1ccccc1)CC(C)(C)[NH3+] ZINC000346822069 355125942 /nfs/dbraw/zinc/12/59/42/355125942.db2.gz FDHUUSHZVNKKMG-UHFFFAOYSA-N 1 0 232.371 2.454 20 30 BEEDRO CCOC(=O)C[C@H](C)[N@H+](C)CCC(C)(C)C#N ZINC000346957083 355167733 /nfs/dbraw/zinc/16/77/33/355167733.db2.gz HWOQJKQIZUZQEY-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@](C)(CC)OC ZINC000639232504 355215956 /nfs/dbraw/zinc/21/59/56/355215956.db2.gz JXFHGTAUMMXXPW-AGIUHOORSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOc1ccc(CN2CC[NH2+]C[C@H]2C)cc1 ZINC000347003757 355201869 /nfs/dbraw/zinc/20/18/69/355201869.db2.gz MCSOPJGJGXTGQP-CYBMUJFWSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@H](OC)C1CCCC1 ZINC000639237906 355221431 /nfs/dbraw/zinc/22/14/31/355221431.db2.gz BZRHZIWLSDKUGN-KGLIPLIRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)CC[N@H+]1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000352007425 134035372 /nfs/dbraw/zinc/03/53/72/134035372.db2.gz XMWHEINWTMFRRT-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352007422 134035496 /nfs/dbraw/zinc/03/54/96/134035496.db2.gz LKPJRDPBKGBXAF-WDEREUQCSA-N 1 0 233.302 2.291 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1CCSCC1 ZINC000639248291 355277667 /nfs/dbraw/zinc/27/76/67/355277667.db2.gz WABHEDGGFCCMDC-NEPJUHHUSA-N 1 0 227.373 2.063 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C#N)cc1 ZINC000019867687 355285608 /nfs/dbraw/zinc/28/56/08/355285608.db2.gz MSPHNXJCCSSUKE-AWEZNQCLSA-N 1 0 229.327 2.454 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000414166624 191464052 /nfs/dbraw/zinc/46/40/52/191464052.db2.gz NZVJEMWIOUKJSW-JHJVBQTASA-N 1 0 248.370 2.473 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000639276525 355349837 /nfs/dbraw/zinc/34/98/37/355349837.db2.gz ZFNSJDHUGUVSLE-HPCHECBXSA-N 1 0 221.344 2.213 20 30 BEEDRO CC#CCC[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000166295478 355355871 /nfs/dbraw/zinc/35/58/71/355355871.db2.gz FFZXBHLJPCGGCA-UHFFFAOYSA-N 1 0 233.359 2.221 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000335790212 355441553 /nfs/dbraw/zinc/44/15/53/355441553.db2.gz SRUVLJNPTKUJIK-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO CCO[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000087595367 355397918 /nfs/dbraw/zinc/39/79/18/355397918.db2.gz BXXACQVNCBKUQQ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000349781962 355461204 /nfs/dbraw/zinc/46/12/04/355461204.db2.gz YQFFQAWTCWJXLB-MELADBBJSA-N 1 0 239.359 2.269 20 30 BEEDRO COc1ccccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349783203 355461259 /nfs/dbraw/zinc/46/12/59/355461259.db2.gz ACFAGAFYBFXKSC-DGCLKSJQSA-N 1 0 230.311 2.477 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000349813780 355467682 /nfs/dbraw/zinc/46/76/82/355467682.db2.gz PZKGECJQLXTIGR-QWHCGFSZSA-N 1 0 230.311 2.477 20 30 BEEDRO C=CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000335821225 355539288 /nfs/dbraw/zinc/53/92/88/355539288.db2.gz AGOMHGIFVCDABO-AWEZNQCLSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)CCOC(C)C ZINC000349873366 355514015 /nfs/dbraw/zinc/51/40/15/355514015.db2.gz ABITZOWAGMEAER-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCCc1ccccc1NC(=O)N[C@H](C)C[NH3+] ZINC000415679774 191697141 /nfs/dbraw/zinc/69/71/41/191697141.db2.gz ZAJMABAYVPODGP-LLVKDONJSA-N 1 0 247.342 2.274 20 30 BEEDRO C=C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000335836295 355564035 /nfs/dbraw/zinc/56/40/35/355564035.db2.gz IOVMMBUZDJFCDW-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639312616 355671155 /nfs/dbraw/zinc/67/11/55/355671155.db2.gz KXBMJYQVEYYISN-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639312617 355671177 /nfs/dbraw/zinc/67/11/77/355671177.db2.gz KXBMJYQVEYYISN-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000582183807 355659328 /nfs/dbraw/zinc/65/93/28/355659328.db2.gz AYAUQLOPTSZVGA-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000639307435 355662285 /nfs/dbraw/zinc/66/22/85/355662285.db2.gz YBNVTZJISIIIEQ-NSHDSACASA-N 1 0 220.316 2.187 20 30 BEEDRO C=CCC1([NH2+]Cc2ccns2)CCOCC1 ZINC000639313911 355701186 /nfs/dbraw/zinc/70/11/86/355701186.db2.gz BAIBHZIXQHNRBD-UHFFFAOYSA-N 1 0 238.356 2.358 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)[C@@H]2CCCO2)CCOCC1 ZINC000639316671 355702601 /nfs/dbraw/zinc/70/26/01/355702601.db2.gz XJPOZQCWNIYZCX-STQMWFEESA-N 1 0 239.359 2.269 20 30 BEEDRO N#CC1CCC(C[NH2+]CC2=CCCOC2)CC1 ZINC000441353509 191784397 /nfs/dbraw/zinc/78/43/97/191784397.db2.gz GPDYBMADIDEKSA-UHFFFAOYSA-N 1 0 234.343 2.253 20 30 BEEDRO C=CCC1([NH2+][C@H](COC)C2CC2)CCOCC1 ZINC000639314781 355704716 /nfs/dbraw/zinc/70/47/16/355704716.db2.gz OCKYZJUIGMGLAK-CYBMUJFWSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000639316076 355707639 /nfs/dbraw/zinc/70/76/39/355707639.db2.gz LRHPTKUUSQGZEM-VHSXEESVSA-N 1 0 219.275 2.212 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000353243447 355684012 /nfs/dbraw/zinc/68/40/12/355684012.db2.gz MAZNDUHLXZWCPQ-BFHYXJOUSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000353243451 355684180 /nfs/dbraw/zinc/68/41/80/355684180.db2.gz MAZNDUHLXZWCPQ-HZSPNIEDSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000399124807 355748900 /nfs/dbraw/zinc/74/89/00/355748900.db2.gz JIXBQDBCHXIYFI-HNNXBMFYSA-N 1 0 244.338 2.267 20 30 BEEDRO CC[C@@]1([NH2+]Cc2ccc(CC#N)cc2)CCOC1 ZINC000399136875 355760444 /nfs/dbraw/zinc/76/04/44/355760444.db2.gz RIDPHMXPOZKYJI-OAHLLOKOSA-N 1 0 244.338 2.411 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1[nH]ncc1C ZINC000336012171 134051985 /nfs/dbraw/zinc/05/19/85/134051985.db2.gz XEEVQLCBSNPWGI-LLVKDONJSA-N 1 0 205.305 2.259 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2ccco2)CC1 ZINC000106245933 355771909 /nfs/dbraw/zinc/77/19/09/355771909.db2.gz KPVSVXUHPAFOHM-UHFFFAOYSA-N 1 0 234.343 2.410 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(OC)no1 ZINC000639325034 355726605 /nfs/dbraw/zinc/72/66/05/355726605.db2.gz QOHQVZWINVLKFM-UWVGGRQHSA-N 1 0 224.304 2.374 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC2CCC1CC2 ZINC000639326893 355732690 /nfs/dbraw/zinc/73/26/90/355732690.db2.gz IOFAPUKIOHFORD-DQRRXLOISA-N 1 0 223.360 2.338 20 30 BEEDRO COCC1(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000581010992 355836717 /nfs/dbraw/zinc/83/67/17/355836717.db2.gz AGXDDGRSDKFFBC-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC000345630677 355916027 /nfs/dbraw/zinc/91/60/27/355916027.db2.gz GOEZSTJICPPZSG-ZDUSSCGKSA-N 1 0 232.327 2.055 20 30 BEEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000345694249 355928003 /nfs/dbraw/zinc/92/80/03/355928003.db2.gz QKXUULJHGQTSDV-ZWKOPEQDSA-N 1 0 248.326 2.300 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000345694244 355928177 /nfs/dbraw/zinc/92/81/77/355928177.db2.gz QKXUULJHGQTSDV-JIMOISOXSA-N 1 0 248.326 2.300 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1ccncc1C ZINC000583627964 355932916 /nfs/dbraw/zinc/93/29/16/355932916.db2.gz IMYCTIDCPUJNHA-CABCVRRESA-N 1 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2.239 20 30 BEEDRO CCn1cncc1C[NH2+]CC(C)(C)CCC#N ZINC000418056204 191959890 /nfs/dbraw/zinc/95/98/90/191959890.db2.gz DOTBBAMQRKHAAR-UHFFFAOYSA-N 1 0 234.347 2.323 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000351642980 356041148 /nfs/dbraw/zinc/04/11/48/356041148.db2.gz HMUKDXHTWLNDJS-WDEREUQCSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000351642967 356041311 /nfs/dbraw/zinc/04/13/11/356041311.db2.gz HMUKDXHTWLNDJS-GHMZBOCLSA-N 1 0 210.321 2.178 20 30 BEEDRO C=C(C)CC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351634446 356058095 /nfs/dbraw/zinc/05/80/95/356058095.db2.gz MTVHZRHXPCFHMK-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@H]1CCCCO1 ZINC000351611104 356027754 /nfs/dbraw/zinc/02/77/54/356027754.db2.gz YQCMJVLSFANRBE-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO COC1(C)CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000335912850 356137524 /nfs/dbraw/zinc/13/75/24/356137524.db2.gz CSPBPFMLXUENHL-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000019476999 356147499 /nfs/dbraw/zinc/14/74/99/356147499.db2.gz SRRMHMPVWSBUIY-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639485904 356300894 /nfs/dbraw/zinc/30/08/94/356300894.db2.gz UFSSFCUOUQJHIL-AWEZNQCLSA-N 1 0 248.370 2.038 20 30 BEEDRO Cc1ccnc(NC[C@@H]2CCC[C@@H]([NH3+])C2)c1C#N ZINC000420275807 192198785 /nfs/dbraw/zinc/19/87/85/192198785.db2.gz GWIDRQRRVHARLT-VXGBXAGGSA-N 1 0 244.342 2.191 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617758565 356314659 /nfs/dbraw/zinc/31/46/59/356314659.db2.gz RYFCFPNCTPBYKW-WCQYABFASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH+]1CCC(C(C)(C)C(=O)OCC)CC1 ZINC000352185765 134098581 /nfs/dbraw/zinc/09/85/81/134098581.db2.gz GFYFQEAILSXVDY-UHFFFAOYSA-N 1 0 239.359 2.474 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)on1 ZINC000192830656 356447697 /nfs/dbraw/zinc/44/76/97/356447697.db2.gz RBWHPYTZRFJFPL-GHMZBOCLSA-N 1 0 219.288 2.155 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639617276 356534579 /nfs/dbraw/zinc/53/45/79/356534579.db2.gz SDQPKUNPNOWBOI-LBPRGKRZSA-N 1 0 218.300 2.328 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1Cc1cc[nH]c(=O)c1 ZINC000639617274 356535102 /nfs/dbraw/zinc/53/51/02/356535102.db2.gz SDQPKUNPNOWBOI-GFCCVEGCSA-N 1 0 218.300 2.328 20 30 BEEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CC1(C#N)CCC1 ZINC000336185919 134121722 /nfs/dbraw/zinc/12/17/22/134121722.db2.gz FBOGWLSZXGMSDZ-MNOVXSKESA-N 1 0 235.331 2.316 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420937804 192289355 /nfs/dbraw/zinc/28/93/55/192289355.db2.gz MABSXQQDXYJDEK-OLZOCXBDSA-N 1 0 241.375 2.203 20 30 BEEDRO CC1(C)CCCN1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449779308 202032892 /nfs/dbraw/zinc/03/28/92/202032892.db2.gz DASPLDGRYSCZBS-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](CC)C(=O)NC ZINC000449780765 202033855 /nfs/dbraw/zinc/03/38/55/202033855.db2.gz VOUMQAWCMAUGDR-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000449791838 202037930 /nfs/dbraw/zinc/03/79/30/202037930.db2.gz QKDILIUQRWSWCD-ZDUSSCGKSA-N 1 0 244.338 2.153 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CCCO)C2)cc1 ZINC000449793446 202038549 /nfs/dbraw/zinc/03/85/49/202038549.db2.gz WWSLADWRHBGDLX-AWEZNQCLSA-N 1 0 244.338 2.153 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@]23CCOC3)ccc1C#N ZINC000421030668 192309869 /nfs/dbraw/zinc/30/98/69/192309869.db2.gz YZGGHPHABFAPRG-OAHLLOKOSA-N 1 0 242.322 2.232 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC1(CC(N)=O)CC1 ZINC000421352077 192320763 /nfs/dbraw/zinc/32/07/63/192320763.db2.gz PXSFOUPAHQIQPA-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000450096597 202080076 /nfs/dbraw/zinc/08/00/76/202080076.db2.gz JHFWQMMHWDNPFN-VXGBXAGGSA-N 1 0 238.375 2.044 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000336263164 134141494 /nfs/dbraw/zinc/14/14/94/134141494.db2.gz VSESHDGLRYTWHH-CYBMUJFWSA-N 1 0 218.275 2.296 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C)N(CC)[C@@H](C)C1 ZINC000639743090 356634308 /nfs/dbraw/zinc/63/43/08/356634308.db2.gz GWYBJOKYWSJMQS-BETUJISGSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000380364286 538466377 /nfs/dbraw/zinc/46/63/77/538466377.db2.gz ZYQRHOOPJKMXQY-NWDGAFQWSA-N 1 0 229.389 2.309 20 30 BEEDRO CCCCOCC[NH+]1CCC(F)(C#N)CC1 ZINC000352489604 134146691 /nfs/dbraw/zinc/14/66/91/134146691.db2.gz BXXFIPNNSGSSMD-UHFFFAOYSA-N 1 0 228.311 2.131 20 30 BEEDRO CCOCC[N@H+](CC)CC1(CC#N)CC1 ZINC000088259542 356645088 /nfs/dbraw/zinc/64/50/88/356645088.db2.gz RQPGHDRRMZYCAB-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C[N@H+](C[C@@H]1CCCCO1)CC1(CC#N)CC1 ZINC000088259340 356647334 /nfs/dbraw/zinc/64/73/34/356647334.db2.gz VTACIWJYVWZDBM-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO COCC[N@H+](CC(C)C)CC1(CC#N)CC1 ZINC000088259374 356647707 /nfs/dbraw/zinc/64/77/07/356647707.db2.gz UYHQUBWYUVSAJD-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[N@H+]1CCN(C)[C@H](C(C)(C)C)C1 ZINC000639746227 356639317 /nfs/dbraw/zinc/63/93/17/356639317.db2.gz ZKDZFHJCEYDFLZ-LBPRGKRZSA-N 1 0 210.365 2.225 20 30 BEEDRO N#CCC1(C[N@H+](CCO)Cc2ccccc2)CC1 ZINC000088256922 356640335 /nfs/dbraw/zinc/64/03/35/356640335.db2.gz NYRRQZBBTMCVSJ-UHFFFAOYSA-N 1 0 244.338 2.175 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352451613 134145606 /nfs/dbraw/zinc/14/56/06/134145606.db2.gz YGXRNXGVCDTUKO-GFCCVEGCSA-N 1 0 242.338 2.111 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)CC1CCC(=O)CC1 ZINC000450331829 202132258 /nfs/dbraw/zinc/13/22/58/202132258.db2.gz WGXVOLZSWKHAPK-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CCO[C@H](C)C1)C1CC1 ZINC000352612013 134149259 /nfs/dbraw/zinc/14/92/59/134149259.db2.gz LYJGDARYYOQAAT-JHJVBQTASA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC1CCN(c2ccnc(C)n2)CC1 ZINC000336563409 134149851 /nfs/dbraw/zinc/14/98/51/134149851.db2.gz KDXQZDMENGRGDV-UHFFFAOYSA-N 1 0 203.289 2.187 20 30 BEEDRO CC(C)(C)[C@H]1CC[N@H+](CCCC#N)C[C@@H]1O ZINC000352996387 134158929 /nfs/dbraw/zinc/15/89/29/134158929.db2.gz GOAJDQDAFNHLGI-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000628378844 356698617 /nfs/dbraw/zinc/69/86/17/356698617.db2.gz FNMYGOAVAPYAHO-GFCCVEGCSA-N 1 0 248.374 2.117 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(C#N)CC3)C[C@H]2C1 ZINC000578188015 366365226 /nfs/dbraw/zinc/36/52/26/366365226.db2.gz OODAXUFDDLNKOU-MPZDIEGVSA-N 1 0 234.343 2.083 20 30 BEEDRO CC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000225251855 538599182 /nfs/dbraw/zinc/59/91/82/538599182.db2.gz VQQRUORVCHFURY-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CCC[C@H](O)C[N@H+](CCC#N)CCC(C)C ZINC000450461626 202169270 /nfs/dbraw/zinc/16/92/70/202169270.db2.gz BVXSHRIHDBPWFD-ZDUSSCGKSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CCCCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000354265203 134167457 /nfs/dbraw/zinc/16/74/57/134167457.db2.gz NICCHZKTQGZNKM-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H](CO)CC2CCC2)C1 ZINC000355487344 134173444 /nfs/dbraw/zinc/17/34/44/134173444.db2.gz QNKJKZUINHSRKK-RDBSUJKOSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2CCc3ncnn32)CCCC1 ZINC000639829290 356813545 /nfs/dbraw/zinc/81/35/45/356813545.db2.gz ZNTBNILCHLPWIT-GFCCVEGCSA-N 1 0 246.358 2.244 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nccnc1C ZINC000639863084 356872382 /nfs/dbraw/zinc/87/23/82/356872382.db2.gz CCVUTLJGHUFBNN-BETUJISGSA-N 1 0 229.327 2.468 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]Cc1cc(C#N)cs1 ZINC000385042042 356875506 /nfs/dbraw/zinc/87/55/06/356875506.db2.gz RJABIAAXZHSKHB-SECBINFHSA-N 1 0 238.356 2.259 20 30 BEEDRO C=CC1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423176163 192611147 /nfs/dbraw/zinc/61/11/47/192611147.db2.gz GJIRPHRBHHMZJO-WCQYABFASA-N 1 0 238.375 2.030 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359990883 356900103 /nfs/dbraw/zinc/90/01/03/356900103.db2.gz FFWMIXZYQVZSSQ-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359990882 356900137 /nfs/dbraw/zinc/90/01/37/356900137.db2.gz FFWMIXZYQVZSSQ-QWHCGFSZSA-N 1 0 236.359 2.086 20 30 BEEDRO CC[NH+](CC)CCSc1ccncc1C#N ZINC000399518828 356967679 /nfs/dbraw/zinc/96/76/79/356967679.db2.gz QCAWHJHMFJCFJT-UHFFFAOYSA-N 1 0 235.356 2.387 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357349372 134182941 /nfs/dbraw/zinc/18/29/41/134182941.db2.gz FXRMCEVGUWQINW-GFCCVEGCSA-N 1 0 224.348 2.073 20 30 BEEDRO C=CCCCCCNC(=O)C[N@@H+](CC)C1CC1 ZINC000582309057 357047582 /nfs/dbraw/zinc/04/75/82/357047582.db2.gz KJSGVFUAEHXHJU-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCc1cncn1C ZINC000390639966 357109213 /nfs/dbraw/zinc/10/92/13/357109213.db2.gz MSPFCDQUVFDRBY-GFCCVEGCSA-N 1 0 221.348 2.297 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(CC)nc1 ZINC000389893321 357061048 /nfs/dbraw/zinc/06/10/48/357061048.db2.gz XEBJNLFTITUTIF-GFCCVEGCSA-N 1 0 202.301 2.145 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000389984839 357079072 /nfs/dbraw/zinc/07/90/72/357079072.db2.gz LNFFWCQGSOMMGV-UNXYVOJBSA-N 1 0 209.333 2.334 20 30 BEEDRO C=CCCCC[N@H+]1CC[S@](=O)CC[C@@H]1C ZINC000582401298 357132218 /nfs/dbraw/zinc/13/22/18/357132218.db2.gz IVAPYZBVMXMTGD-SWLSCSKDSA-N 1 0 229.389 2.186 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c[nH]nc2C)C1 ZINC000628405706 357198669 /nfs/dbraw/zinc/19/86/69/357198669.db2.gz RTENRKOUPCBYEZ-NSHDSACASA-N 1 0 205.305 2.116 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(C)n2C)C1 ZINC000628406068 357200646 /nfs/dbraw/zinc/20/06/46/357200646.db2.gz BAVLQKHJEZXRRV-GFCCVEGCSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2n[nH]cc2C)C1 ZINC000628406482 357201544 /nfs/dbraw/zinc/20/15/44/357201544.db2.gz KQNRANIZEFTEGQ-LLVKDONJSA-N 1 0 205.305 2.116 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000193510025 357207370 /nfs/dbraw/zinc/20/73/70/357207370.db2.gz GMLNPESADMWHEP-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000358822223 134192850 /nfs/dbraw/zinc/19/28/50/134192850.db2.gz AXNVNTXLFCFLQQ-STQMWFEESA-N 1 0 240.347 2.154 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCO[C@H]1CCCCO1 ZINC000358822221 134192912 /nfs/dbraw/zinc/19/29/12/134192912.db2.gz AXNVNTXLFCFLQQ-OLZOCXBDSA-N 1 0 240.347 2.154 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000393740944 357295531 /nfs/dbraw/zinc/29/55/31/357295531.db2.gz BSEXHSNAYNVHMM-RYUDHWBXSA-N 1 0 222.332 2.083 20 30 BEEDRO CC#CC[N@@H+](CCC(=O)OC)Cc1ccccc1 ZINC000610211555 357277544 /nfs/dbraw/zinc/27/75/44/357277544.db2.gz DRKLKCBYCCWKQU-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCCC(F)(F)C1 ZINC000582602108 357348218 /nfs/dbraw/zinc/34/82/18/357348218.db2.gz JBYQGVOEKQJBQW-SECBINFHSA-N 1 0 202.248 2.315 20 30 BEEDRO CC#CCC[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000360445999 134200332 /nfs/dbraw/zinc/20/03/32/134200332.db2.gz KONQANWBYFPUIL-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000360489392 134200954 /nfs/dbraw/zinc/20/09/54/134200954.db2.gz GQEUCINNKGIZLM-WDEREUQCSA-N 1 0 249.276 2.178 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000610270914 357404666 /nfs/dbraw/zinc/40/46/66/357404666.db2.gz IOACAPGAWBDDIN-OCCSQVGLSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000582915549 357434796 /nfs/dbraw/zinc/43/47/96/357434796.db2.gz PYUBYKNPPXBOCM-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO CC#CCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000360954903 134202660 /nfs/dbraw/zinc/20/26/60/134202660.db2.gz ADORMFCOBGYQDC-GFCCVEGCSA-N 1 0 232.327 2.024 20 30 BEEDRO C=CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000054992879 363582755 /nfs/dbraw/zinc/58/27/55/363582755.db2.gz UHAIEUYKHUTCSK-UHFFFAOYSA-N 1 0 230.355 2.380 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1ccc(C#N)c(F)c1 ZINC000404058205 357494573 /nfs/dbraw/zinc/49/45/73/357494573.db2.gz LONWGICHPDXNDE-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO CC1=CCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000583212292 357551576 /nfs/dbraw/zinc/55/15/76/357551576.db2.gz MFOUHSAQWIDFFZ-UHFFFAOYSA-N 1 0 213.284 2.105 20 30 BEEDRO C=CC[N@H+](CCOC)CC[C@@H]1CCCCO1 ZINC000361997958 134208636 /nfs/dbraw/zinc/20/86/36/134208636.db2.gz ZGLGVFGDIZMKKA-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@@H]1CC[C@H](C)C1 ZINC000362149702 134208726 /nfs/dbraw/zinc/20/87/26/134208726.db2.gz NIGAFDXWUHKTGF-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC2CCC1CC2 ZINC000362340023 134209840 /nfs/dbraw/zinc/20/98/40/134209840.db2.gz JJYKYSPTHWXAGG-BPCQOVAHSA-N 1 0 209.333 2.188 20 30 BEEDRO N#CCCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189172087 357608323 /nfs/dbraw/zinc/60/83/23/357608323.db2.gz KINJBQYIHIVZIN-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC(C)(C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342728280 535360910 /nfs/dbraw/zinc/36/09/10/535360910.db2.gz MBZYYBAASNCNFT-UHFFFAOYSA-N 1 0 242.326 2.484 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CC[C@H](CO)C1 ZINC000232529982 357664665 /nfs/dbraw/zinc/66/46/65/357664665.db2.gz FJSHRBQUKAXFFW-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO COC(=O)[C@H](C)[N@H+](CCCCC#N)C1CCC1 ZINC000190090799 357683078 /nfs/dbraw/zinc/68/30/78/357683078.db2.gz HKDJCNNOTDTYLJ-NSHDSACASA-N 1 0 238.331 2.096 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000233769326 357746075 /nfs/dbraw/zinc/74/60/75/357746075.db2.gz UJQIMBONNSWXNI-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CN(C)Cc1nccc(OC)c1OC ZINC000191071708 357746197 /nfs/dbraw/zinc/74/61/97/357746197.db2.gz VOFCBRRUVYPUJV-UHFFFAOYSA-N 1 0 236.315 2.107 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1ccc(OC)cc1 ZINC000191117174 357751883 /nfs/dbraw/zinc/75/18/83/357751883.db2.gz OCILQQIWVZKTMW-UHFFFAOYSA-N 1 0 249.354 2.372 20 30 BEEDRO C#CCC[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000368583267 134219452 /nfs/dbraw/zinc/21/94/52/134219452.db2.gz ZHEGTFXCJDHBPW-NWDGAFQWSA-N 1 0 209.358 2.370 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccccc1OC ZINC000191764588 357795059 /nfs/dbraw/zinc/79/50/59/357795059.db2.gz NCIPDMAAPZDOEF-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000191785694 357796449 /nfs/dbraw/zinc/79/64/49/357796449.db2.gz RLJDBLZPUIFZRZ-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000192068094 357816927 /nfs/dbraw/zinc/81/69/27/357816927.db2.gz XZYMSCPRBSGLDM-MRXNPFEDSA-N 1 0 241.334 2.151 20 30 BEEDRO Cc1nocc1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399066889 357894800 /nfs/dbraw/zinc/89/48/00/357894800.db2.gz MPXKGLKYSUJKHX-UHFFFAOYSA-N 1 0 241.294 2.339 20 30 BEEDRO C[C@H](CO)[C@H](C)[NH2+]CCCCC(C)(C)C#N ZINC000235465701 357870257 /nfs/dbraw/zinc/87/02/57/357870257.db2.gz IPPHXFIKDCXXPK-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCCCCC[NH+]1CCN(CC)CC1 ZINC000193300996 357873434 /nfs/dbraw/zinc/87/34/34/357873434.db2.gz XUXHLIXGBPICTI-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CCCCCC[N@@H+]1CCO[C@H](COC)C1 ZINC000193358177 357879038 /nfs/dbraw/zinc/87/90/38/357879038.db2.gz ZEFQSMYCKRXWNY-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CC[C@@H]1O ZINC000235586574 357881072 /nfs/dbraw/zinc/88/10/72/357881072.db2.gz SZXXIAREDAHIAV-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)n1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000583301621 357887292 /nfs/dbraw/zinc/88/72/92/357887292.db2.gz ZDSMZOXXPCNRFP-VXGBXAGGSA-N 1 0 232.331 2.246 20 30 BEEDRO CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000583301620 357887313 /nfs/dbraw/zinc/88/73/13/357887313.db2.gz ZDSMZOXXPCNRFP-RYUDHWBXSA-N 1 0 232.331 2.246 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399019615 357893442 /nfs/dbraw/zinc/89/34/42/357893442.db2.gz DPTGPUFZGSAILQ-RISCZKNCSA-N 1 0 214.312 2.498 20 30 BEEDRO C[C@H]1CC[C@H](C[NH+]2CCC(C)(C#N)CC2)O1 ZINC000235663666 357926996 /nfs/dbraw/zinc/92/69/96/357926996.db2.gz VHAVBEFQSUHYNW-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO COCC[C@@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399351082 357903822 /nfs/dbraw/zinc/90/38/22/357903822.db2.gz MOXRHRRBAHTXID-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000584405444 357912380 /nfs/dbraw/zinc/91/23/80/357912380.db2.gz HEFSPWSPSKZSMQ-GFCCVEGCSA-N 1 0 247.317 2.298 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2ncccn2)CC1 ZINC000584422121 357918441 /nfs/dbraw/zinc/91/84/41/357918441.db2.gz MUDVHCKYOZXDKS-UHFFFAOYSA-N 1 0 230.315 2.039 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](OCCOC)C1 ZINC000583734095 357930683 /nfs/dbraw/zinc/93/06/83/357930683.db2.gz STZAKEBOKZJZMP-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](CCCC#N)CC1 ZINC000373590329 134234738 /nfs/dbraw/zinc/23/47/38/134234738.db2.gz AREBGHXOWQQIKM-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=C(C)CC[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000583807947 357954776 /nfs/dbraw/zinc/95/47/76/357954776.db2.gz JSYBZHMIKKFKFT-UHFFFAOYSA-N 1 0 247.342 2.274 20 30 BEEDRO C=C(C[NH2+]C[C@]1(OC)CCOC1)c1ccccc1 ZINC000160305635 357975630 /nfs/dbraw/zinc/97/56/30/357975630.db2.gz YCGBPJIHXHMEQF-OAHLLOKOSA-N 1 0 247.338 2.095 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000610605260 358011175 /nfs/dbraw/zinc/01/11/75/358011175.db2.gz TZKZJPPKBPEBFF-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000610605192 358011259 /nfs/dbraw/zinc/01/12/59/358011259.db2.gz PKNKWWLUQZVTNA-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1C[C@H](NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721035 363595452 /nfs/dbraw/zinc/59/54/52/363595452.db2.gz ARCWPPBLRJARFZ-SWLSCSKDSA-N 1 0 243.354 2.131 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCc1ccc(F)cc1 ZINC000264080607 535389534 /nfs/dbraw/zinc/38/95/34/535389534.db2.gz IGXJQVSXKOEZKI-UHFFFAOYSA-N 1 0 237.322 2.025 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1cc2ccccc2[nH]1 ZINC000262007259 535389555 /nfs/dbraw/zinc/38/95/55/535389555.db2.gz RXPIBKGWAZOQFP-UHFFFAOYSA-N 1 0 244.342 2.324 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCCNc1ccccc1 ZINC000264083054 535388611 /nfs/dbraw/zinc/38/86/11/535388611.db2.gz IBABFAIECZWPOT-UHFFFAOYSA-N 1 0 248.374 2.145 20 30 BEEDRO CC[C@@H](C#N)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000122240748 535396774 /nfs/dbraw/zinc/39/67/74/535396774.db2.gz MDFYOCCMCXRCRI-NWDGAFQWSA-N 1 0 225.380 2.245 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640034708 358127460 /nfs/dbraw/zinc/12/74/60/358127460.db2.gz BBJZYSYCDLZEBA-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCOC(C)(C)C ZINC000610728918 358129082 /nfs/dbraw/zinc/12/90/82/358129082.db2.gz VSXSVLFKYUUAOU-NSHDSACASA-N 1 0 212.337 2.426 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(C#N)o1 ZINC000610740617 358134057 /nfs/dbraw/zinc/13/40/57/358134057.db2.gz RZHCYJJDTOKQFS-QWRGUYRKSA-N 1 0 234.299 2.056 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)cc1)C[C@@H]1CCOC1 ZINC000052071373 358145306 /nfs/dbraw/zinc/14/53/06/358145306.db2.gz LITKDHUGYYFLTO-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)CCC(C)C)CC1 ZINC000171726534 134260662 /nfs/dbraw/zinc/26/06/62/134260662.db2.gz CJARWSICLKILKV-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)c1cccs1 ZINC000134400178 325357303 /nfs/dbraw/zinc/35/73/03/325357303.db2.gz MYWGKFGCJZODTG-JTQLQIEISA-N 1 0 238.356 2.091 20 30 BEEDRO C[C@]1(CCCO)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450652793 202228254 /nfs/dbraw/zinc/22/82/54/202228254.db2.gz PKINJWZBAYAIHR-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C[C@H]([NH2+][C@H]1CN(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610830466 358211299 /nfs/dbraw/zinc/21/12/99/358211299.db2.gz WJJJFOFTIALAHA-HUBLWGQQSA-N 1 0 243.354 2.159 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)C(C)C)CC1 ZINC000171976368 134263837 /nfs/dbraw/zinc/26/38/37/134263837.db2.gz VKABGBXZZUZUMD-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]CC1(C#N)CCC1 ZINC000450689261 202235011 /nfs/dbraw/zinc/23/50/11/202235011.db2.gz SFEGXMQATXAQIM-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000310284243 491127063 /nfs/dbraw/zinc/12/70/63/491127063.db2.gz ZJHAENAYPKXCGD-UHFFFAOYSA-N 1 0 235.327 2.301 20 30 BEEDRO CCNC(=[NH2+])NC[C@]1(C)CCCc2ccccc21 ZINC000271624333 535423482 /nfs/dbraw/zinc/42/34/82/535423482.db2.gz NNFWYTYTDSIPTI-HNNXBMFYSA-N 1 0 245.370 2.205 20 30 BEEDRO CCNC(=[NH2+])NCCc1cccc2ccccc21 ZINC000264133538 535423571 /nfs/dbraw/zinc/42/35/71/535423571.db2.gz YWXLGPOCAZEPRV-UHFFFAOYSA-N 1 0 241.338 2.307 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC(C)(C)C[NH+](C)C ZINC000134912130 325382335 /nfs/dbraw/zinc/38/23/35/325382335.db2.gz PEFWEQFEXAUDOA-CQSZACIVSA-N 1 0 240.391 2.293 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000309983511 358442979 /nfs/dbraw/zinc/44/29/79/358442979.db2.gz OMGWZQQUTVAGLF-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000310272242 358443744 /nfs/dbraw/zinc/44/37/44/358443744.db2.gz QXQOSCGKSCRULC-ZDUSSCGKSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116927221 358451469 /nfs/dbraw/zinc/45/14/69/358451469.db2.gz ISMMOHZSQFXMQE-VIFPVBQESA-N 1 0 235.283 2.175 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000124253962 358514728 /nfs/dbraw/zinc/51/47/28/358514728.db2.gz JKIPJPGYHHDBGS-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)[C@H]1CCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610970065 358416349 /nfs/dbraw/zinc/41/63/49/358416349.db2.gz VDAJQKHEGJZQCJ-HUUCEWRRSA-N 1 0 249.402 2.389 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000611072184 358581643 /nfs/dbraw/zinc/58/16/43/358581643.db2.gz AHHMQUSUELPOJT-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC(=O)N[C@H](C)CC ZINC000126792229 358554448 /nfs/dbraw/zinc/55/44/48/358554448.db2.gz VHLOUHRBCQLJJW-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124725197 358525948 /nfs/dbraw/zinc/52/59/48/358525948.db2.gz RDGLDBGTNIVCJZ-ZNMIVQPWSA-N 1 0 235.371 2.415 20 30 BEEDRO C=C(C)C[NH+]1CCC(CC(=O)OCC)CC1 ZINC000125090286 358533041 /nfs/dbraw/zinc/53/30/41/358533041.db2.gz SJRSMVKPRHNHTL-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1nc2ccccc2n1C ZINC000130450762 358626602 /nfs/dbraw/zinc/62/66/02/358626602.db2.gz WLWMXRWPHPFYCV-SNVBAGLBSA-N 1 0 215.300 2.237 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000129591817 358588733 /nfs/dbraw/zinc/58/87/33/358588733.db2.gz YAPIJBOZAFACHV-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130936869 358653886 /nfs/dbraw/zinc/65/38/86/358653886.db2.gz RCMDGFLEFWIZFJ-NWJSVONSSA-N 1 0 231.405 2.286 20 30 BEEDRO C[C@@H](CC[S@](C)=O)[NH2+]CC(C)(C)CCC#N ZINC000131283672 358667488 /nfs/dbraw/zinc/66/74/88/358667488.db2.gz GHUVWSIGPBUBQQ-MEDUHNTESA-N 1 0 244.404 2.063 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132355403 358720060 /nfs/dbraw/zinc/72/00/60/358720060.db2.gz GPFFCLWFYVYFBZ-RYUDHWBXSA-N 1 0 247.404 2.144 20 30 BEEDRO N#CCCCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134931034 358811032 /nfs/dbraw/zinc/81/10/32/358811032.db2.gz YCTWEEMYHMLKNT-HIFRSBDPSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CC[NH+]1CCC(C(=O)N(C)CCCC)CC1 ZINC000052186310 358775391 /nfs/dbraw/zinc/77/53/91/358775391.db2.gz XHKQAFNXVMDRIO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCSCC[NH2+]Cc1nccs1 ZINC000222055083 358778339 /nfs/dbraw/zinc/77/83/39/358778339.db2.gz YYQVRNSVEMACMR-UHFFFAOYSA-N 1 0 214.359 2.152 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCCCC1 ZINC000052337767 358779652 /nfs/dbraw/zinc/77/96/52/358779652.db2.gz OIWOCQBPZXUNPD-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCOCC[NH2+]C1CCC(OC)CC1 ZINC000134879336 358809757 /nfs/dbraw/zinc/80/97/57/358809757.db2.gz NOLKPWIUAIWWJB-UHFFFAOYSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1CCC(C)C ZINC000135305790 358831408 /nfs/dbraw/zinc/83/14/08/358831408.db2.gz LMRLEQUMAJCZMU-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000135594308 358845399 /nfs/dbraw/zinc/84/53/99/358845399.db2.gz VOEZXKKGYCCWMK-LBPRGKRZSA-N 1 0 219.332 2.305 20 30 BEEDRO Cn1ncc2c1CCC[C@@H]2[N@H+](C)CCCCC#N ZINC000135592875 358845422 /nfs/dbraw/zinc/84/54/22/358845422.db2.gz UGXKLOJCXHBQDL-ZDUSSCGKSA-N 1 0 246.358 2.423 20 30 BEEDRO Cn1ncc2c1CCC[C@H]2[N@H+](C)CCCCC#N ZINC000135592854 358845844 /nfs/dbraw/zinc/84/58/44/358845844.db2.gz UGXKLOJCXHBQDL-CYBMUJFWSA-N 1 0 246.358 2.423 20 30 BEEDRO COCC1([N@H+](C)CCCC(C)(C)C#N)CC1 ZINC000611178852 358926535 /nfs/dbraw/zinc/92/65/35/358926535.db2.gz QGMHCTOYSZFGSA-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071300411 359074708 /nfs/dbraw/zinc/07/47/08/359074708.db2.gz HENYHTIEAMZHKG-OAHLLOKOSA-N 1 0 247.338 2.112 20 30 BEEDRO CC1CC[NH+](C[C@H](C#N)CCC#N)CC1 ZINC000072590025 359087504 /nfs/dbraw/zinc/08/75/04/359087504.db2.gz JXHDNLAPEVDGKM-LBPRGKRZSA-N 1 0 205.305 2.162 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCCCCC1 ZINC000072801654 359091289 /nfs/dbraw/zinc/09/12/89/359091289.db2.gz NSKDFNXXVDQZOF-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CC[NH+](CC=C)CCOCC(F)(F)F ZINC000075827708 359225881 /nfs/dbraw/zinc/22/58/81/359225881.db2.gz MYSIGHXYHHHGMJ-UHFFFAOYSA-N 1 0 223.238 2.239 20 30 BEEDRO C=C(Cl)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248158524 359256414 /nfs/dbraw/zinc/25/64/14/359256414.db2.gz RSMQSPCFERATPQ-VXGBXAGGSA-N 1 0 228.767 2.155 20 30 BEEDRO C[N@H+](Cc1cn[nH]c1)CC(C)(C)CCC#N ZINC000611271940 359285546 /nfs/dbraw/zinc/28/55/46/359285546.db2.gz SVUNVVJMCLRMFK-UHFFFAOYSA-N 1 0 220.320 2.171 20 30 BEEDRO CN(CC1(C#N)CC1)[C@@H]1CCCc2c1cnn2C ZINC000611430777 359369008 /nfs/dbraw/zinc/36/90/08/359369008.db2.gz AGWOMWHFFHWSHD-GFCCVEGCSA-N 1 0 244.342 2.033 20 30 BEEDRO C[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc(C#N)c1 ZINC000611438873 359371018 /nfs/dbraw/zinc/37/10/18/359371018.db2.gz XQQRBNUHWOVMMV-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccc(C#N)cc1 ZINC000611438848 359371076 /nfs/dbraw/zinc/37/10/76/359371076.db2.gz OQAPVOWXJFNCMU-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@@H](C)c1cccc(C#N)c1 ZINC000423380590 192756655 /nfs/dbraw/zinc/75/66/55/192756655.db2.gz NCAFDWHDSAFUCD-NEPJUHHUSA-N 1 0 231.343 2.207 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccnc(C)c1 ZINC000623449614 359343217 /nfs/dbraw/zinc/34/32/17/359343217.db2.gz DOLSLLJRSUFVFY-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000623449868 359343567 /nfs/dbraw/zinc/34/35/67/359343567.db2.gz NVTCMMWVUOJDDK-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2C=CCCC2)cc1C#N ZINC000191315429 359551584 /nfs/dbraw/zinc/55/15/84/359551584.db2.gz IQMMSLGEUAKWNC-LBPRGKRZSA-N 1 0 215.300 2.095 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2C=CCCC2)cc1C#N ZINC000191315441 359551612 /nfs/dbraw/zinc/55/16/12/359551612.db2.gz IQMMSLGEUAKWNC-GFCCVEGCSA-N 1 0 215.300 2.095 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)C1CC1 ZINC000580444502 359553548 /nfs/dbraw/zinc/55/35/48/359553548.db2.gz LWYWLXIYYSFYPF-DRZSPHRISA-N 1 0 209.333 2.498 20 30 BEEDRO C[C@H](CCC(F)(F)F)[NH2+]C[C@H](C)C#N ZINC000379662264 359575591 /nfs/dbraw/zinc/57/55/91/359575591.db2.gz REOHXBZLEMSTME-HTQZYQBOSA-N 1 0 208.227 2.467 20 30 BEEDRO C[C@H](CCNCCC#N)[N@H+](C)Cc1ccccc1 ZINC000379657007 359576977 /nfs/dbraw/zinc/57/69/77/359576977.db2.gz REUWPBGBVFERSW-CQSZACIVSA-N 1 0 245.370 2.400 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430415651 192871801 /nfs/dbraw/zinc/87/18/01/192871801.db2.gz PRFVNBWTQOEJHG-RWMBFGLXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000424079346 192861049 /nfs/dbraw/zinc/86/10/49/192861049.db2.gz UGAMZXBUSAOLNC-UPJWGTAASA-N 1 0 238.375 2.175 20 30 BEEDRO C[N@H+](Cc1cn[nH]c1)Cc1ccc(CC#N)cc1 ZINC000612108140 359657957 /nfs/dbraw/zinc/65/79/57/359657957.db2.gz OYWZNHBOIPWYJG-UHFFFAOYSA-N 1 0 240.310 2.108 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CCCCC#N)C1 ZINC000612155606 359710234 /nfs/dbraw/zinc/71/02/34/359710234.db2.gz XCTCCMVORCDDPF-GFCCVEGCSA-N 1 0 205.305 2.306 20 30 BEEDRO COCC[C@@H](C)[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612161643 359712450 /nfs/dbraw/zinc/71/24/50/359712450.db2.gz HNQFFERVSGIOOO-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO Cc1noc(C)c1CN1CCC[C@@](C)(C#N)C1 ZINC000612167005 359715457 /nfs/dbraw/zinc/71/54/57/359715457.db2.gz ZFLPPEBUIJKSKW-ZDUSSCGKSA-N 1 0 233.315 2.417 20 30 BEEDRO C[C@@]1(C#N)CCCN(CC[NH+]2CCCCC2)C1 ZINC000612167331 359716755 /nfs/dbraw/zinc/71/67/55/359716755.db2.gz LZTMNPBFCILQNS-AWEZNQCLSA-N 1 0 235.375 2.098 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1Nc1cc[nH+]c(CC)c1 ZINC000450810327 202272064 /nfs/dbraw/zinc/27/20/64/202272064.db2.gz XWDULBUVIFMHBK-KGLIPLIRSA-N 1 0 232.327 2.211 20 30 BEEDRO C[N@H+](CC[C@H]1CCCO1)CC1(C#N)CCC1 ZINC000450825295 202278928 /nfs/dbraw/zinc/27/89/28/202278928.db2.gz YCTUOPIDGMOACG-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO Cc1cc(C#N)cc(NCCC[N@@H+](C)C(C)C)n1 ZINC000226252931 359729629 /nfs/dbraw/zinc/72/96/29/359729629.db2.gz JSZLDIHOPZPVSU-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1CC(F)(F)C1 ZINC000450836061 202284307 /nfs/dbraw/zinc/28/43/07/202284307.db2.gz IHOCVGSFJZDKDD-UHFFFAOYSA-N 1 0 219.275 2.166 20 30 BEEDRO CCC#C[C@H](C)N1CC[NH+](C(C)(C)C)CC1 ZINC001641565347 1172266460 /nfs/dbraw/zinc/26/64/60/1172266460.db2.gz RSTHQVOTKJKGFT-ZDUSSCGKSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000450929882 202312305 /nfs/dbraw/zinc/31/23/05/202312305.db2.gz KMJDRPFONMOBJQ-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1CN(C2CC2)CC[N@H+](CCCCC#N)C1 ZINC000451076889 202350082 /nfs/dbraw/zinc/35/00/82/202350082.db2.gz BGDZIHXRNCIOTJ-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CC#CCN(C)CC[N@H+](C)Cc1ccccc1 ZINC000451081656 202350117 /nfs/dbraw/zinc/35/01/17/202350117.db2.gz SLKAXGAIVGHFKP-UHFFFAOYSA-N 1 0 230.355 2.074 20 30 BEEDRO C[C@@]1(F)CCCN(C[C@H](C#N)CCC#N)C1 ZINC000451114288 202351468 /nfs/dbraw/zinc/35/14/68/202351468.db2.gz CZJWHZIGVFZJDF-NWDGAFQWSA-N 1 0 223.295 2.254 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000309120268 491145203 /nfs/dbraw/zinc/14/52/03/491145203.db2.gz NKCVSRHCYJLDQW-AVGNSLFASA-N 1 0 209.333 2.193 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000309120269 491145204 /nfs/dbraw/zinc/14/52/04/491145204.db2.gz NKCVSRHCYJLDQW-RWMBFGLXSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451109569 202353510 /nfs/dbraw/zinc/35/35/10/202353510.db2.gz BAERMOHJYJIXHW-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1scnc1C ZINC000578520469 366588000 /nfs/dbraw/zinc/58/80/00/366588000.db2.gz ZTTILBIGFALBGI-SNVBAGLBSA-N 1 0 223.345 2.276 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000309134568 491145385 /nfs/dbraw/zinc/14/53/85/491145385.db2.gz RULMGMHOXHLWHD-RWMBFGLXSA-N 1 0 209.333 2.336 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000612586594 359899410 /nfs/dbraw/zinc/89/94/10/359899410.db2.gz WXTXAPGECLGCOK-RYUDHWBXSA-N 1 0 230.311 2.302 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451208246 202382214 /nfs/dbraw/zinc/38/22/14/202382214.db2.gz CVKMFECDVWTTDR-GFCCVEGCSA-N 1 0 238.375 2.176 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCC/C=C/CC)CC1 ZINC000490875842 259507592 /nfs/dbraw/zinc/50/75/92/259507592.db2.gz SCXOEAKZBDNQRS-AATRIKPKSA-N 1 0 249.354 2.231 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CCN1CCCC1 ZINC000087608734 359921530 /nfs/dbraw/zinc/92/15/30/359921530.db2.gz ZCBBZHGSYSBNNI-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451261544 202389704 /nfs/dbraw/zinc/38/97/04/202389704.db2.gz JTNLFGVYDUJFNV-LSDHHAIUSA-N 1 0 249.329 2.363 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000088249876 359942360 /nfs/dbraw/zinc/94/23/60/359942360.db2.gz OHACLZVESCPFCH-UHFFFAOYSA-N 1 0 245.282 2.378 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000578759420 366641170 /nfs/dbraw/zinc/64/11/70/366641170.db2.gz LIALAMZGZWCSAL-YRGRVCCFSA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090883486 360093001 /nfs/dbraw/zinc/09/30/01/360093001.db2.gz UGXAGTUFQHLKGM-NSHDSACASA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000309309557 491147338 /nfs/dbraw/zinc/14/73/38/491147338.db2.gz BOMGHMONWXCQIJ-OCCSQVGLSA-N 1 0 219.328 2.317 20 30 BEEDRO CN1CCC[C@@H]1C[N@H+](C)CCCC(C)(C)C#N ZINC000092628579 360185920 /nfs/dbraw/zinc/18/59/20/360185920.db2.gz YQWOMLDJSQBXST-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCN(C)c1ccccc1 ZINC000067405964 370667641 /nfs/dbraw/zinc/66/76/41/370667641.db2.gz LVBLEEUVOFVYBE-GFCCVEGCSA-N 1 0 217.316 2.015 20 30 BEEDRO C=CC1CC[NH+](Cc2nc(C)ccc2O)CC1 ZINC000093359181 360235786 /nfs/dbraw/zinc/23/57/86/360235786.db2.gz MQRCPQJMAOTMLO-UHFFFAOYSA-N 1 0 232.327 2.494 20 30 BEEDRO C[N@H+](C[C@@H]1CCOC1)CC(C)(C)CCC#N ZINC000093840464 360283275 /nfs/dbraw/zinc/28/32/75/360283275.db2.gz PZHWPQFUPZNILO-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CCOC[C@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000430759688 192888890 /nfs/dbraw/zinc/88/88/90/192888890.db2.gz HGUSCGFPXLQGST-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@H](C)CCO ZINC000097439443 360371876 /nfs/dbraw/zinc/37/18/76/360371876.db2.gz IZYJOSTWCYNURO-CYBMUJFWSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CCCC23CC3)nn1 ZINC000631193048 360591751 /nfs/dbraw/zinc/59/17/51/360591751.db2.gz MZIIUXJXXDSBKW-ZDUSSCGKSA-N 1 0 246.358 2.277 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CC)C(=O)NC ZINC000449782982 200703755 /nfs/dbraw/zinc/70/37/55/200703755.db2.gz ZLJCWQCJWCXFQQ-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO CCOCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192588779 219870786 /nfs/dbraw/zinc/87/07/86/219870786.db2.gz VTDJTDYRLNNASO-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@H]1COCCN1Cc1cc(C#N)ccc1F ZINC000036326359 360905287 /nfs/dbraw/zinc/90/52/87/360905287.db2.gz YUFXBQRUXCSLCB-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000629250666 360972736 /nfs/dbraw/zinc/97/27/36/360972736.db2.gz AEKNYXIEVAYJRR-ZDUSSCGKSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(C)(C)C ZINC000640351799 361082725 /nfs/dbraw/zinc/08/27/25/361082725.db2.gz XMENDZDKXCGGAJ-NWDGAFQWSA-N 1 0 240.391 2.291 20 30 BEEDRO C#CC[N@@H+](CCCOC)C1CCCCC1 ZINC000065960216 361083674 /nfs/dbraw/zinc/08/36/74/361083674.db2.gz OVSQRNIALANOHB-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000230265155 361072297 /nfs/dbraw/zinc/07/22/97/361072297.db2.gz DFRXKQCWIQTVQG-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000424168791 200873632 /nfs/dbraw/zinc/87/36/32/200873632.db2.gz GSNUICPXJZUQPC-XQHKEYJVSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2C(C)C)nn1 ZINC000424297698 200901908 /nfs/dbraw/zinc/90/19/08/200901908.db2.gz RDGHHMBDWAIPLS-ZIAGYGMSSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cncs1 ZINC000424300682 200901949 /nfs/dbraw/zinc/90/19/49/200901949.db2.gz YMKJBHLIIPNRNK-VWYCJHECSA-N 1 0 238.356 2.385 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000424317252 200908381 /nfs/dbraw/zinc/90/83/81/200908381.db2.gz BOQBQJSZWUYHOY-QNWHQSFQSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](C#N)CN(C)[C@@H](C)c1cccnc1 ZINC000066471060 361291011 /nfs/dbraw/zinc/29/10/11/361291011.db2.gz LFFQDJRHLDSZPO-MNOVXSKESA-N 1 0 203.289 2.234 20 30 BEEDRO CC[N@H+](C[C@H](C)O)[C@@H](C)c1ccc(C#N)cc1 ZINC000179332974 169892789 /nfs/dbraw/zinc/89/27/89/169892789.db2.gz VNUWJRGDNKWOLX-RYUDHWBXSA-N 1 0 232.327 2.322 20 30 BEEDRO C=C(CC)C[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000579228360 366738150 /nfs/dbraw/zinc/73/81/50/366738150.db2.gz KHSDXDGAWBPFOF-UHFFFAOYSA-N 1 0 247.342 2.274 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H](O)C1CC1 ZINC000079767824 370692220 /nfs/dbraw/zinc/69/22/20/370692220.db2.gz CTVSZEPDYNEULV-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429001569 201056987 /nfs/dbraw/zinc/05/69/87/201056987.db2.gz IYBZYBPGWAUZNP-HZSPNIEDSA-N 1 0 222.376 2.225 20 30 BEEDRO C=CCN1CC[C@@H]([NH+](C2CCC2)C2CCC2)C1=O ZINC000429167839 201073462 /nfs/dbraw/zinc/07/34/62/201073462.db2.gz ZDXNSTAQXKULRY-CQSZACIVSA-N 1 0 248.370 2.180 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C(C)C ZINC000429382424 201106159 /nfs/dbraw/zinc/10/61/59/201106159.db2.gz TUQLPPWZDSMJJN-RYUDHWBXSA-N 1 0 225.332 2.082 20 30 BEEDRO N#CCCCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429316915 201099982 /nfs/dbraw/zinc/09/99/82/201099982.db2.gz MPHNMJRXJCBFEH-LBPRGKRZSA-N 1 0 230.311 2.143 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000249047073 325634301 /nfs/dbraw/zinc/63/43/01/325634301.db2.gz WLWKYJPJGAOKLY-MQYQWHSLSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000429698525 201125729 /nfs/dbraw/zinc/12/57/29/201125729.db2.gz MRKXZFWDMKJYBG-BFHYXJOUSA-N 1 0 235.375 2.095 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN([C@H]2CC[C@@H](C#N)C2)C1 ZINC000429698534 201126681 /nfs/dbraw/zinc/12/66/81/201126681.db2.gz MRKXZFWDMKJYBG-HZSPNIEDSA-N 1 0 235.375 2.095 20 30 BEEDRO CCn1nccc1C[N@H+](C)CCCCC#N ZINC000429724857 201130363 /nfs/dbraw/zinc/13/03/63/201130363.db2.gz XQOBKQVQOXZJEN-UHFFFAOYSA-N 1 0 220.320 2.029 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCSCC[C@@H]1C ZINC000429766308 201131231 /nfs/dbraw/zinc/13/12/31/201131231.db2.gz MRKXXNOAVQWVIR-RYUDHWBXSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CC[C@H](C)NC1)C1CC1 ZINC000629534992 361409032 /nfs/dbraw/zinc/40/90/32/361409032.db2.gz CBSVCUGVHLFWNO-UBHSHLNASA-N 1 0 222.376 2.461 20 30 BEEDRO COc1cc(C)nc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000430015768 201137800 /nfs/dbraw/zinc/13/78/00/201137800.db2.gz BCTSYHLSSURJGT-UHFFFAOYSA-N 1 0 245.326 2.182 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000430039790 201137971 /nfs/dbraw/zinc/13/79/71/201137971.db2.gz ZWKHKTZITIBYDO-UHFFFAOYSA-N 1 0 234.274 2.315 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc3c[nH]nc3c2)CC1 ZINC000430048175 201140578 /nfs/dbraw/zinc/14/05/78/201140578.db2.gz VHTFUMRGNYZBNH-UHFFFAOYSA-N 1 0 240.310 2.346 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000629588592 361478823 /nfs/dbraw/zinc/47/88/23/361478823.db2.gz NTTZMCABCMRFAN-VIFPVBQESA-N 1 0 239.281 2.492 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430258220 201155763 /nfs/dbraw/zinc/15/57/63/201155763.db2.gz OLVGUSQJAKNQLS-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]CCCC(C)(C)C#N ZINC000161815757 201157820 /nfs/dbraw/zinc/15/78/20/201157820.db2.gz SRFKEYRDAZVACM-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)CC[C@@H](O)C[N@H+](C)CC(C)(C)C#N ZINC000433320113 201181008 /nfs/dbraw/zinc/18/10/08/201181008.db2.gz QWMCTXQCIYSZMI-GFCCVEGCSA-N 1 0 226.364 2.265 20 30 BEEDRO CC[NH+](CC)CCCN(C)CC(C)(C)C#N ZINC000433297611 201175445 /nfs/dbraw/zinc/17/54/45/201175445.db2.gz LVEHRGWCZZKQFJ-UHFFFAOYSA-N 1 0 225.380 2.200 20 30 BEEDRO C=CCOc1ccc(CN(CC)CC[NH3+])cc1 ZINC000629655089 361560368 /nfs/dbraw/zinc/56/03/68/361560368.db2.gz QWUQLNRUWYNTGJ-UHFFFAOYSA-N 1 0 234.343 2.032 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCC1CCOCC1 ZINC000152331232 201195002 /nfs/dbraw/zinc/19/50/02/201195002.db2.gz DINSNIMMJHTYSU-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)c1ccccc1 ZINC000309989228 491159393 /nfs/dbraw/zinc/15/93/93/491159393.db2.gz ZQOZPEBYWYQWRZ-UHFFFAOYSA-N 1 0 217.312 2.161 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000435737894 201286110 /nfs/dbraw/zinc/28/61/10/201286110.db2.gz MTTQXLNSPPJPTI-ZFWWWQNUSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000435746674 201286236 /nfs/dbraw/zinc/28/62/36/201286236.db2.gz APZDBSQOLMUMFF-MQYQWHSLSA-N 1 0 239.359 2.125 20 30 BEEDRO CC#CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000155084652 201301479 /nfs/dbraw/zinc/30/14/79/201301479.db2.gz UJOXEMWSPIHJIQ-UHFFFAOYSA-N 1 0 246.329 2.361 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC1(O)CCC(C)CC1 ZINC000435996246 201304326 /nfs/dbraw/zinc/30/43/26/201304326.db2.gz QAXULLOBGQJLME-OTTFEQOBSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1nccn1C ZINC000436288776 201318998 /nfs/dbraw/zinc/31/89/98/201318998.db2.gz GVKPSPIQVARUEB-UPJWGTAASA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cnn(C)c1 ZINC000436302517 201320433 /nfs/dbraw/zinc/32/04/33/201320433.db2.gz AVYIHMWHFKESNZ-DYEKYZERSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000436311754 201321076 /nfs/dbraw/zinc/32/10/76/201321076.db2.gz UHJDYWMUDJRXOC-MQYQWHSLSA-N 1 0 239.359 2.125 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172489801 974835149 /nfs/dbraw/zinc/83/51/49/974835149.db2.gz QJKWTWMMRVMQPP-JTQLQIEISA-N 1 0 234.299 2.270 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(OCC)C1 ZINC000436293892 201318446 /nfs/dbraw/zinc/31/84/46/201318446.db2.gz NMTIOHYSFQLPRL-BLYZHGLHSA-N 1 0 239.359 2.125 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@H](COCC)C1 ZINC000155705393 201347174 /nfs/dbraw/zinc/34/71/74/201347174.db2.gz NOCNWXPHNKDZKC-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO Cc1cc(C#N)ccc1CN(C)Cc1ccon1 ZINC000614401072 363805450 /nfs/dbraw/zinc/80/54/50/363805450.db2.gz ZKGSAONGXMUFJS-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](C)C[C@H](O)C1CC1 ZINC000614402515 363806083 /nfs/dbraw/zinc/80/60/83/363806083.db2.gz HSGQFTKCYJHYDG-HNNXBMFYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@H]1C[C@H](Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090794961 363880072 /nfs/dbraw/zinc/88/00/72/363880072.db2.gz ZSENAZOHIKPGMF-SMDDNHRTSA-N 1 0 229.327 2.453 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H]1c1ccccc1 ZINC000619718643 363917817 /nfs/dbraw/zinc/91/78/17/363917817.db2.gz SFPLBMOKSRSRDD-QWHCGFSZSA-N 1 0 231.295 2.161 20 30 BEEDRO Cc1ccc(CN2CC[C@H]([NH3+])[C@@H](C)C2)cc1C#N ZINC000600699503 363996407 /nfs/dbraw/zinc/99/64/07/363996407.db2.gz ASSCMXPBGXCVQY-WFASDCNBSA-N 1 0 243.354 2.036 20 30 BEEDRO Cc1ccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)cc1C#N ZINC000600707679 363998451 /nfs/dbraw/zinc/99/84/51/363998451.db2.gz ACLZJNFHXGSNLQ-STQMWFEESA-N 1 0 243.354 2.049 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001641991180 1172314602 /nfs/dbraw/zinc/31/46/02/1172314602.db2.gz ANLSOLNJWRCTCG-CQSZACIVSA-N 1 0 229.323 2.335 20 30 BEEDRO COC(=O)CCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037416692 364017504 /nfs/dbraw/zinc/01/75/04/364017504.db2.gz PYMGOEOGDYYCSY-NSHDSACASA-N 1 0 246.310 2.162 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)c1ccccc1OC ZINC000541980017 364057058 /nfs/dbraw/zinc/05/70/58/364057058.db2.gz AHXLSWFCUBJTQR-CYBMUJFWSA-N 1 0 235.327 2.284 20 30 BEEDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccc(C#N)cc1 ZINC000037508429 364095785 /nfs/dbraw/zinc/09/57/85/364095785.db2.gz CVUSFFHRHWRTHO-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccc(C#N)cc1 ZINC000037508477 364096358 /nfs/dbraw/zinc/09/63/58/364096358.db2.gz XISVVDIPVMRVTA-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000380320456 541343650 /nfs/dbraw/zinc/34/36/50/541343650.db2.gz KFYYPPFGLURDQC-JHJVBQTASA-N 1 0 209.333 2.051 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+](C)C[C@H](C)CO ZINC000614963049 364235903 /nfs/dbraw/zinc/23/59/03/364235903.db2.gz QWIDJXZBOZSRAM-NWDGAFQWSA-N 1 0 232.327 2.179 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000134636704 364408441 /nfs/dbraw/zinc/40/84/41/364408441.db2.gz JCJMMUUFDXLRNW-RYUDHWBXSA-N 1 0 207.321 2.216 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000134635295 364408559 /nfs/dbraw/zinc/40/85/59/364408559.db2.gz ILBFLZJDXILIBF-UWVGGRQHSA-N 1 0 213.321 2.271 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000630760904 364539652 /nfs/dbraw/zinc/53/96/52/364539652.db2.gz BDPCYOTYHFEOLW-OLZOCXBDSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC12CCC2 ZINC000453380979 202748432 /nfs/dbraw/zinc/74/84/32/202748432.db2.gz ZZZQKQAVSLFUKU-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CCCOC ZINC000453358510 202748675 /nfs/dbraw/zinc/74/86/75/202748675.db2.gz OWFDLFCVKCNVAC-UPJWGTAASA-N 1 0 227.348 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000453360497 202749176 /nfs/dbraw/zinc/74/91/76/202749176.db2.gz OHLWCNUNZBOTRU-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC12CCC2 ZINC000453380976 202749459 /nfs/dbraw/zinc/74/94/59/202749459.db2.gz ZZZQKQAVSLFUKU-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000453361707 202749664 /nfs/dbraw/zinc/74/96/64/202749664.db2.gz PARBOZWTKOXKEJ-GRYCIOLGSA-N 1 0 207.317 2.252 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)c1ccncc1 ZINC000453363258 202750905 /nfs/dbraw/zinc/75/09/05/202750905.db2.gz QSXKIGKEMGLZPP-KGLIPLIRSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCCCN2C1=O ZINC000453420749 202771881 /nfs/dbraw/zinc/77/18/81/202771881.db2.gz DLGMUPZJWBIPHO-RWMBFGLXSA-N 1 0 236.359 2.084 20 30 BEEDRO N#Cc1ccccc1CN1CCCCC[C@H]([NH3+])C1 ZINC000601324915 364669270 /nfs/dbraw/zinc/66/92/70/364669270.db2.gz QICPBGQUXNXDHF-HNNXBMFYSA-N 1 0 243.354 2.262 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615319517 364689576 /nfs/dbraw/zinc/68/95/76/364689576.db2.gz RNPKJBDDHGIKQE-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615299924 364679557 /nfs/dbraw/zinc/67/95/57/364679557.db2.gz BQMAWXITRJWCDJ-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC000453405647 202765507 /nfs/dbraw/zinc/76/55/07/202765507.db2.gz JROUUUXTFQBPRO-RRFJBIMHSA-N 1 0 242.322 2.049 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000274608055 364757779 /nfs/dbraw/zinc/75/77/79/364757779.db2.gz JNKXYDACPDYGBR-QJPTWQEYSA-N 1 0 215.300 2.424 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccn(C)n1 ZINC000292850624 364774428 /nfs/dbraw/zinc/77/44/28/364774428.db2.gz BUGOYXLTGWKRMQ-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C=CCCCCC[NH2+][C@H](CC)Cn1cncn1 ZINC000573459242 364840413 /nfs/dbraw/zinc/84/04/13/364840413.db2.gz XRVONYNMPPEMGT-CYBMUJFWSA-N 1 0 236.363 2.393 20 30 BEEDRO C[C@@H]1CSCC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000573931020 364948640 /nfs/dbraw/zinc/94/86/40/364948640.db2.gz IGHSRKHVTALGOW-NSHDSACASA-N 1 0 247.367 2.138 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000574002215 364961929 /nfs/dbraw/zinc/96/19/29/364961929.db2.gz GGVUKRCJNAGPPD-UONOGXRCSA-N 1 0 230.311 2.134 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1(C)C ZINC000574129816 364993035 /nfs/dbraw/zinc/99/30/35/364993035.db2.gz GLQOEWJDGBDBKQ-YRGRVCCFSA-N 1 0 249.358 2.223 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)C(F)(F)F ZINC000574337375 365041199 /nfs/dbraw/zinc/04/11/99/365041199.db2.gz QTLMRRZOZGOCCJ-HTQZYQBOSA-N 1 0 208.227 2.467 20 30 BEEDRO CCCCN(C)C[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000574324160 365037352 /nfs/dbraw/zinc/03/73/52/365037352.db2.gz HDFWANIVLHUQSO-MCIONIFRSA-N 1 0 237.391 2.389 20 30 BEEDRO C=Cn1cc(C[NH+]2CCC(CCC#N)CC2)cn1 ZINC000574324578 365037443 /nfs/dbraw/zinc/03/74/43/365037443.db2.gz RSPMKHSTCIIQBN-UHFFFAOYSA-N 1 0 244.342 2.499 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000574583120 365096520 /nfs/dbraw/zinc/09/65/20/365096520.db2.gz FBRSOMLPULDKKF-ZDUSSCGKSA-N 1 0 244.338 2.442 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442777936 192989813 /nfs/dbraw/zinc/98/98/13/192989813.db2.gz AONJQOCJEJLNQC-NEPJUHHUSA-N 1 0 233.315 2.116 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000442843667 192995900 /nfs/dbraw/zinc/99/59/00/192995900.db2.gz DMMBXBMZGJJBKL-TZMCWYRMSA-N 1 0 229.327 2.296 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCC(=O)N1 ZINC000433091655 192983325 /nfs/dbraw/zinc/98/33/25/192983325.db2.gz MOAJXHXYCOGULN-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000442902286 193002516 /nfs/dbraw/zinc/00/25/16/193002516.db2.gz QDKWQVRZSBDDPL-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000574766977 365139307 /nfs/dbraw/zinc/13/93/07/365139307.db2.gz YWSGFODIYIGSHT-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO Cc1cc(C[NH2+]CCC(C)(C)O)ccc1C#N ZINC000444004686 193033407 /nfs/dbraw/zinc/03/34/07/193033407.db2.gz SBNCCKHONQGNEY-UHFFFAOYSA-N 1 0 232.327 2.117 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000575132579 365215415 /nfs/dbraw/zinc/21/54/15/365215415.db2.gz MYYWIKGUDGYXKJ-LLVKDONJSA-N 1 0 233.302 2.292 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000171953544 365262991 /nfs/dbraw/zinc/26/29/91/365262991.db2.gz SCGCOACTBONYHR-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO Cc1csc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000335599737 365295691 /nfs/dbraw/zinc/29/56/91/365295691.db2.gz CUOPRGUSXXMTHZ-NXEZZACHSA-N 1 0 221.329 2.233 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)CCCC(C)(C)C#N ZINC000336678048 365350558 /nfs/dbraw/zinc/35/05/58/365350558.db2.gz WPAMFWDINUPYFB-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccccc1F ZINC000336693922 365359696 /nfs/dbraw/zinc/35/96/96/365359696.db2.gz YFWHVVUYBGNHOH-NSHDSACASA-N 1 0 223.291 2.100 20 30 BEEDRO N#CCCCC[NH2+]C/C=C/c1ccncc1 ZINC000336660457 365344997 /nfs/dbraw/zinc/34/49/97/365344997.db2.gz BJVXZGVUCAQWED-SNAWJCMRSA-N 1 0 215.300 2.378 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000172732771 365376615 /nfs/dbraw/zinc/37/66/15/365376615.db2.gz RPVQIYCJTZFOHU-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(COC)o1 ZINC000339792746 365473419 /nfs/dbraw/zinc/47/34/19/365473419.db2.gz SCOAIKOSVRCEQD-UHFFFAOYSA-N 1 0 239.315 2.108 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000575949367 365423290 /nfs/dbraw/zinc/42/32/90/365423290.db2.gz PHHFAIZUWVHAQA-UHFFFAOYSA-N 1 0 240.310 2.262 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1ncccc1O ZINC000575956172 365424804 /nfs/dbraw/zinc/42/48/04/365424804.db2.gz MWEJKHXBAVFSLR-NSHDSACASA-N 1 0 218.300 2.328 20 30 BEEDRO CCC[N@H+](CCOCCC#N)CC1CC1 ZINC000338887877 365441081 /nfs/dbraw/zinc/44/10/81/365441081.db2.gz OFDJOZNQIJQBMA-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCC#N ZINC000339096037 365448109 /nfs/dbraw/zinc/44/81/09/365448109.db2.gz HCGGQOUOFXNCOV-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCOCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000339193010 365451879 /nfs/dbraw/zinc/45/18/79/365451879.db2.gz NVBAKJMRQLAZFC-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO N#CCCC1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000576041527 365459501 /nfs/dbraw/zinc/45/95/01/365459501.db2.gz HYRTWKBBUZJXAX-UHFFFAOYSA-N 1 0 248.326 2.288 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000579709409 366986759 /nfs/dbraw/zinc/98/67/59/366986759.db2.gz RUUQEDDCKAAIDC-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000183718472 367042288 /nfs/dbraw/zinc/04/22/88/367042288.db2.gz KHVNYJDBENPLRU-ZDUSSCGKSA-N 1 0 246.354 2.256 20 30 BEEDRO COc1ccc(OCCC[NH2+][C@H](C)CC#N)cc1 ZINC000068613464 370820512 /nfs/dbraw/zinc/82/05/12/370820512.db2.gz PXBYDMCCBYCPGF-GFCCVEGCSA-N 1 0 248.326 2.356 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC=C(C)CC2)nn1 ZINC000580888874 367198068 /nfs/dbraw/zinc/19/80/68/367198068.db2.gz KBAUQEXURDXDMH-LBPRGKRZSA-N 1 0 232.331 2.053 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000068765397 370844352 /nfs/dbraw/zinc/84/43/52/370844352.db2.gz GDMKSWNZMYTNTI-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068765372 370844640 /nfs/dbraw/zinc/84/46/40/370844640.db2.gz QRBBKLLMCAXMRC-NSHDSACASA-N 1 0 215.300 2.328 20 30 BEEDRO C=CC1CC[NH+](Cc2ncccc2O)CC1 ZINC000581219036 367298120 /nfs/dbraw/zinc/29/81/20/367298120.db2.gz ZJZKQVFNLVPKAR-UHFFFAOYSA-N 1 0 218.300 2.185 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000194854883 367323070 /nfs/dbraw/zinc/32/30/70/367323070.db2.gz GCSXSBRNVOKYDX-AWEZNQCLSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000581368113 367399216 /nfs/dbraw/zinc/39/92/16/367399216.db2.gz LKTVCEYSZHUMPH-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000581376768 367407251 /nfs/dbraw/zinc/40/72/51/367407251.db2.gz BZEXXIYMHBXPKE-OLZOCXBDSA-N 1 0 240.391 2.421 20 30 BEEDRO C=C(C)CN1CCC([NH2+]CC2(C)CC2)CC1 ZINC000381472138 367413789 /nfs/dbraw/zinc/41/37/89/367413789.db2.gz NAOUCVWFASTFEH-UHFFFAOYSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000381897602 367467771 /nfs/dbraw/zinc/46/77/71/367467771.db2.gz UDCRKNMJIFCVCN-JTQLQIEISA-N 1 0 239.281 2.492 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(CC)nc1)C(C)C ZINC000381750134 367454058 /nfs/dbraw/zinc/45/40/58/367454058.db2.gz QYXMDBYOESDZQW-CQSZACIVSA-N 1 0 216.328 2.391 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(CC)nc1)C(C)C ZINC000381750127 367454520 /nfs/dbraw/zinc/45/45/20/367454520.db2.gz QYXMDBYOESDZQW-AWEZNQCLSA-N 1 0 216.328 2.391 20 30 BEEDRO C#CC[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000381787522 367458009 /nfs/dbraw/zinc/45/80/09/367458009.db2.gz ZGLXLEGBOHBLHC-GYSYKLTISA-N 1 0 215.296 2.162 20 30 BEEDRO C=C1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000382589533 367547099 /nfs/dbraw/zinc/54/70/99/367547099.db2.gz YOICGCZFQIEHJH-AWEZNQCLSA-N 1 0 244.338 2.255 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000382329291 367508149 /nfs/dbraw/zinc/50/81/49/367508149.db2.gz WAOKPQMBNQUREK-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000581487918 367518369 /nfs/dbraw/zinc/51/83/69/367518369.db2.gz YCLIRSRCDFTLHK-JOCQHMNTSA-N 1 0 238.375 2.224 20 30 BEEDRO C[C@@H]([N@H+](C)CCC(C)(C)C#N)C(C)(C)O ZINC000382999546 367584116 /nfs/dbraw/zinc/58/41/16/367584116.db2.gz ZEICCMPUBFCGEU-SNVBAGLBSA-N 1 0 212.337 2.017 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[N@@H+](C)[C@@H](C)CC)C1 ZINC000630900718 367599120 /nfs/dbraw/zinc/59/91/20/367599120.db2.gz IGDUDAFTUPDDDC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CC1CC(F)(F)C1 ZINC000383252013 367609262 /nfs/dbraw/zinc/60/92/62/367609262.db2.gz WMEVMEPQUABVBH-QMMMGPOBSA-N 1 0 202.248 2.266 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)O1 ZINC000384642233 367711823 /nfs/dbraw/zinc/71/18/23/367711823.db2.gz AYHBERVSGHETOB-WOPDTQHZSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000385025017 367773737 /nfs/dbraw/zinc/77/37/37/367773737.db2.gz JBGJPJHWDICYFS-UHFFFAOYSA-N 1 0 236.315 2.103 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn(C)nc1C ZINC000385029008 367775544 /nfs/dbraw/zinc/77/55/44/367775544.db2.gz KCMGMFDRYNMUBJ-UHFFFAOYSA-N 1 0 207.321 2.030 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cnccn1 ZINC000385077090 367784012 /nfs/dbraw/zinc/78/40/12/367784012.db2.gz XSSQMWYLNYARCW-JTQLQIEISA-N 1 0 205.305 2.339 20 30 BEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385741964 367860819 /nfs/dbraw/zinc/86/08/19/367860819.db2.gz BVTFQSQDLUDTHS-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C[N@H+](Cc1cccc(F)c1C#N)C1CCOCC1 ZINC000581860766 367848556 /nfs/dbraw/zinc/84/85/56/367848556.db2.gz UPTOQEILKUPAII-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO CC(C)(CO)CC[NH2+]CC(C)(C)CCC#N ZINC000385912422 367882947 /nfs/dbraw/zinc/88/29/47/367882947.db2.gz RIBLYGYQOZZNHU-UHFFFAOYSA-N 1 0 226.364 2.315 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CCC(C)(C)C#N ZINC000386251132 367939196 /nfs/dbraw/zinc/93/91/96/367939196.db2.gz JERDOOIBNNCZLN-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CCC(C)(C)C#N ZINC000386251130 367939206 /nfs/dbraw/zinc/93/92/06/367939206.db2.gz JERDOOIBNNCZLN-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCc2c1cnn2C ZINC000386674726 368008312 /nfs/dbraw/zinc/00/83/12/368008312.db2.gz HAIYQBIPWJYVNQ-GFCCVEGCSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618989864 368083461 /nfs/dbraw/zinc/08/34/61/368083461.db2.gz YOLMDMMHKSABGY-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@](C)(O)C2CC2)ccc1C#N ZINC000443989193 201606435 /nfs/dbraw/zinc/60/64/35/201606435.db2.gz NRYMVXIFBTVACN-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000615798600 368322512 /nfs/dbraw/zinc/32/25/12/368322512.db2.gz GRHXAPAXWYMYHX-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000566603070 326067329 /nfs/dbraw/zinc/06/73/29/326067329.db2.gz CTVXDXVTPKVZGQ-VJTDZRGJSA-N 1 0 221.344 2.498 20 30 BEEDRO CC1CC[NH+](Cc2ccc(C#N)cn2)CC1 ZINC000566833151 326085798 /nfs/dbraw/zinc/08/57/98/326085798.db2.gz IRIJJKMCPVJPQT-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CCCn1cc(C[NH2+]CCCCC#N)cn1 ZINC000164113902 202877503 /nfs/dbraw/zinc/87/75/03/202877503.db2.gz JYVSMYNFOPFVKH-UHFFFAOYSA-N 1 0 220.320 2.077 20 30 BEEDRO C=CC[N@@H+](CCCO)CC1CCCCC1 ZINC000069859923 368759928 /nfs/dbraw/zinc/75/99/28/368759928.db2.gz IGMRZJYJTNNWGP-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO N#CCCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000069076691 368744590 /nfs/dbraw/zinc/74/45/90/368744590.db2.gz NPZHIHYFBLCXJE-AWEZNQCLSA-N 1 0 235.375 2.240 20 30 BEEDRO CC(C)C[C@H](CNc1ncccc1C#N)[NH+](C)C ZINC000073856055 368818167 /nfs/dbraw/zinc/81/81/67/368818167.db2.gz QCIBDQWTFVCXMY-CYBMUJFWSA-N 1 0 246.358 2.341 20 30 BEEDRO CN1CC[N@H+](CCCC(C)(C)C#N)CC1(C)C ZINC000087608751 368895688 /nfs/dbraw/zinc/89/56/88/368895688.db2.gz VTDGMKDAGGUVEF-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cncn1C ZINC000309757074 326165714 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/nfs/dbraw/zinc/28/40/14/203284014.db2.gz GQUBMNOZHIZLKM-NSHDSACASA-N 1 0 209.333 2.093 20 30 BEEDRO CC[N@H+](CCCCC#N)[C@H]1CCCOC1 ZINC000402846512 369392319 /nfs/dbraw/zinc/39/23/19/369392319.db2.gz QVKQKJCDMHZQLH-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000400108392 369342462 /nfs/dbraw/zinc/34/24/62/369342462.db2.gz DPOYZXSLVGOCBA-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)C1C[NH+](Cc2ccc(C#N)o2)C1 ZINC000619431178 369349348 /nfs/dbraw/zinc/34/93/48/369349348.db2.gz WCZZTZZTGBTSBX-UHFFFAOYSA-N 1 0 204.273 2.239 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cn2cccnc2n1 ZINC000459568953 203303671 /nfs/dbraw/zinc/30/36/71/203303671.db2.gz CMAVABSKLLIEBC-UHFFFAOYSA-N 1 0 230.315 2.031 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCOC1 ZINC000301479798 369375680 /nfs/dbraw/zinc/37/56/80/369375680.db2.gz LZUWQCHMFBABEY-HUUCEWRRSA-N 1 0 244.338 2.463 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000459569008 203304683 /nfs/dbraw/zinc/30/46/83/203304683.db2.gz CPQHCXVXHJMJLU-GRYCIOLGSA-N 1 0 229.389 2.451 20 30 BEEDRO COC[C@@H]([NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000405084091 369444934 /nfs/dbraw/zinc/44/49/34/369444934.db2.gz BWVJOMCSLDDHDK-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@](C)(C[NH2+]CC1(C#N)CCCC1)C1CC1 ZINC000405082739 369445039 /nfs/dbraw/zinc/44/50/39/369445039.db2.gz LXTTWOFPDBMBPG-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCCC#N ZINC000403919739 369415375 /nfs/dbraw/zinc/41/53/75/369415375.db2.gz PPRVYYUIXGZPDO-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@H]1C[N@H+](CCCCC#N)[C@H](C)CO1 ZINC000403968645 369415885 /nfs/dbraw/zinc/41/58/85/369415885.db2.gz OVVQKHPHPXVQKA-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCCC#N ZINC000403919741 369415901 /nfs/dbraw/zinc/41/59/01/369415901.db2.gz PPRVYYUIXGZPDO-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@H]1C[N@H+](CCCCC#N)[C@@H](C)CO1 ZINC000403968647 369416145 /nfs/dbraw/zinc/41/61/45/369416145.db2.gz OVVQKHPHPXVQKA-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[NH2+]CCSCc1ccc(C#N)c(F)c1 ZINC000404093581 369420298 /nfs/dbraw/zinc/42/02/98/369420298.db2.gz XEZWNPVGMZAPOW-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000459647709 203328976 /nfs/dbraw/zinc/32/89/76/203328976.db2.gz OQORRAYSQGSSRQ-OKILXGFUSA-N 1 0 230.311 2.215 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000459647701 203329329 /nfs/dbraw/zinc/32/93/29/203329329.db2.gz ONELOGOITBNKKK-AOOOYVTPSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCSC1 ZINC000619568697 369482805 /nfs/dbraw/zinc/48/28/05/369482805.db2.gz UZURXTVEAQAFEY-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO COCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405231601 369449006 /nfs/dbraw/zinc/44/90/06/369449006.db2.gz VXZZTEJAQYNBKW-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CCSC2)CCCC1 ZINC000405208626 369449343 /nfs/dbraw/zinc/44/93/43/369449343.db2.gz ZZHPILUPGSSHEU-LLVKDONJSA-N 1 0 224.373 2.413 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH2+]CC(C)(C)CC#N ZINC000459688978 203336575 /nfs/dbraw/zinc/33/65/75/203336575.db2.gz ILWZBQWHDMJXAX-UHFFFAOYSA-N 1 0 220.320 2.056 20 30 BEEDRO CN(C)c1ccncc1C[NH2+]CC(C)(C)CC#N ZINC000459738939 203349483 /nfs/dbraw/zinc/34/94/83/203349483.db2.gz YLEONIZSTOKFTD-UHFFFAOYSA-N 1 0 246.358 2.177 20 30 BEEDRO Cc1nocc1C[NH2+]CC(C)(C)CC#N ZINC000459737812 203347627 /nfs/dbraw/zinc/34/76/27/203347627.db2.gz WXOXJHKLIHTABH-UHFFFAOYSA-N 1 0 207.277 2.013 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000259966013 370958532 /nfs/dbraw/zinc/95/85/32/370958532.db2.gz JSCZUZHZILQBEX-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459748185 203354691 /nfs/dbraw/zinc/35/46/91/203354691.db2.gz GOOFBNTYTVQHNU-ICCXJUOJSA-N 1 0 216.284 2.429 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2)C[C@H]1C ZINC000250263284 369499246 /nfs/dbraw/zinc/49/92/46/369499246.db2.gz KBFCTHHUZQMBSO-GFCCVEGCSA-N 1 0 229.327 2.089 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(C#N)o2)C12CCC2 ZINC000459799189 203373724 /nfs/dbraw/zinc/37/37/24/203373724.db2.gz YOEYFQQALMEMTI-QWHCGFSZSA-N 1 0 246.310 2.198 20 30 BEEDRO CC[C@H](C)[N@H+](CCO)Cc1cc(C#N)cs1 ZINC000600170397 369512343 /nfs/dbraw/zinc/51/23/43/369512343.db2.gz XWQQFNNJDCBVRH-JTQLQIEISA-N 1 0 238.356 2.213 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CC[C@H](C)C2(CCC2)C1 ZINC000619720162 369549746 /nfs/dbraw/zinc/54/97/46/369549746.db2.gz JOWFLRMLGWCTJA-NWDGAFQWSA-N 1 0 237.343 2.226 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CCc2cc(C)ccc2C1 ZINC000619722065 369552940 /nfs/dbraw/zinc/55/29/40/369552940.db2.gz XATSJKIXDMXMBO-AWEZNQCLSA-N 1 0 245.322 2.081 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000619722277 369554546 /nfs/dbraw/zinc/55/45/46/369554546.db2.gz INBHZVDYUQBTIA-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO Cc1ccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)cc1C#N ZINC000600710801 369558977 /nfs/dbraw/zinc/55/89/77/369558977.db2.gz PJRVVWAZJNZHAE-OLZOCXBDSA-N 1 0 243.354 2.049 20 30 BEEDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)cc1C#N ZINC000600707045 369559406 /nfs/dbraw/zinc/55/94/06/369559406.db2.gz XCUAMSUMEYIQER-CHWSQXEVSA-N 1 0 243.354 2.049 20 30 BEEDRO Cc1ccc(CN(C)CC(C)(C)[NH3+])cc1C#N ZINC000600707553 369559739 /nfs/dbraw/zinc/55/97/39/369559739.db2.gz BLSMKYVXYZDMCG-UHFFFAOYSA-N 1 0 231.343 2.036 20 30 BEEDRO C[C@@H]1CCCN(Cc2ccc(C#N)o2)[C@@H]1CC[NH3+] ZINC000600769240 369562375 /nfs/dbraw/zinc/56/23/75/369562375.db2.gz KMNCSBQKGHZOGE-BXUZGUMPSA-N 1 0 247.342 2.101 20 30 BEEDRO CCC[C@H](CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000601139601 369594252 /nfs/dbraw/zinc/59/42/52/369594252.db2.gz GWQYHHRPNNIGIM-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]Cc1ccc(C#N)s1 ZINC000601140559 369596890 /nfs/dbraw/zinc/59/68/90/369596890.db2.gz YOUVZZOVKAFYOY-JTQLQIEISA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@@H](CO)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619815184 369600746 /nfs/dbraw/zinc/60/07/46/369600746.db2.gz RVJXWHUYWNRNKW-LBPRGKRZSA-N 1 0 246.354 2.300 20 30 BEEDRO N#Cc1ccccc1CN1CCCCC[C@@H]([NH3+])C1 ZINC000601324916 369621634 /nfs/dbraw/zinc/62/16/34/369621634.db2.gz QICPBGQUXNXDHF-OAHLLOKOSA-N 1 0 243.354 2.262 20 30 BEEDRO C[C@H](C[NH2+]C1CCN(CC#N)CC1)C(C)(C)C ZINC000619844721 369617207 /nfs/dbraw/zinc/61/72/07/369617207.db2.gz BBVQLWHREZQKFG-GFCCVEGCSA-N 1 0 237.391 2.246 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000568026765 326297820 /nfs/dbraw/zinc/29/78/20/326297820.db2.gz DQMDEWDAGFLQAZ-TZMCWYRMSA-N 1 0 239.359 2.474 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1cccc(F)c1C#N)OC ZINC000602025908 369736926 /nfs/dbraw/zinc/73/69/26/369736926.db2.gz RNIRBNDPYSTXLU-NSHDSACASA-N 1 0 236.290 2.212 20 30 BEEDRO CCOC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000091677475 369728974 /nfs/dbraw/zinc/72/89/74/369728974.db2.gz ZRBGMVXCLFFINI-UHFFFAOYSA-N 1 0 234.299 2.152 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1cccc(F)c1C#N ZINC000602002105 369733166 /nfs/dbraw/zinc/73/31/66/369733166.db2.gz POLGEALVCIDPER-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000602004606 369733615 /nfs/dbraw/zinc/73/36/15/369733615.db2.gz GHZFZQGSIBXHEP-LBPRGKRZSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)CCO1 ZINC000602015624 369735472 /nfs/dbraw/zinc/73/54/72/369735472.db2.gz OGLFAPNINCYVLM-ZYHUDNBSSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602560677 369814733 /nfs/dbraw/zinc/81/47/33/369814733.db2.gz KECVLUXDRGIZNW-CYBMUJFWSA-N 1 0 247.342 2.104 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1cccc(C#N)n1)C(C)(C)C ZINC000602560678 369814939 /nfs/dbraw/zinc/81/49/39/369814939.db2.gz KECVLUXDRGIZNW-ZDUSSCGKSA-N 1 0 247.342 2.104 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@H+]1C ZINC000620305952 369821926 /nfs/dbraw/zinc/82/19/26/369821926.db2.gz XNCPDUYQKAVZTJ-MJBXVCDLSA-N 1 0 248.370 2.180 20 30 BEEDRO COCCC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602612159 369827348 /nfs/dbraw/zinc/82/73/48/369827348.db2.gz GQDLRGLTRXZTNQ-UHFFFAOYSA-N 1 0 247.342 2.106 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2Cc3ccccc3C2)n1 ZINC000602613842 369827458 /nfs/dbraw/zinc/82/74/58/369827458.db2.gz XHFBTYLCMJAOMT-UHFFFAOYSA-N 1 0 249.317 2.210 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)n1 ZINC000602624293 369830500 /nfs/dbraw/zinc/83/05/00/369830500.db2.gz LQAYDYQVAZEBAO-RISCZKNCSA-N 1 0 227.311 2.328 20 30 BEEDRO C[C@H]1CCSCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602630532 369831928 /nfs/dbraw/zinc/83/19/28/369831928.db2.gz MMZQKJBIJDCCEI-NSHDSACASA-N 1 0 247.367 2.281 20 30 BEEDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602649088 369833795 /nfs/dbraw/zinc/83/37/95/369833795.db2.gz SJMQAWAVTMGYEH-VXGBXAGGSA-N 1 0 229.327 2.479 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@H]2CCO2)cc1F ZINC000602680756 369841376 /nfs/dbraw/zinc/84/13/76/369841376.db2.gz GQPCQIDPZWEWBZ-ZDUSSCGKSA-N 1 0 248.301 2.356 20 30 BEEDRO CCCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602427835 369786456 /nfs/dbraw/zinc/78/64/56/369786456.db2.gz DBZZHRXQRMGHQZ-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO Cc1ccc(CN(C)Cc2cccc(C#N)n2)o1 ZINC000602432549 369787844 /nfs/dbraw/zinc/78/78/44/369787844.db2.gz HTFUCULAWRBYQN-UHFFFAOYSA-N 1 0 241.294 2.487 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602466294 369791679 /nfs/dbraw/zinc/79/16/79/369791679.db2.gz UBQCHEURSGQIEP-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602503728 369797621 /nfs/dbraw/zinc/79/76/21/369797621.db2.gz FWGZWFYLLQILFL-ZDUSSCGKSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)O1 ZINC000602707888 369844442 /nfs/dbraw/zinc/84/44/42/369844442.db2.gz CBWHVAJZUKKSPX-BXUZGUMPSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)n1)CC(F)F ZINC000602701416 369844746 /nfs/dbraw/zinc/84/47/46/369844746.db2.gz RMQUSUQXVPCJEA-SECBINFHSA-N 1 0 239.269 2.334 20 30 BEEDRO CC(C)[C@@H]([NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602717920 369845667 /nfs/dbraw/zinc/84/56/67/369845667.db2.gz KLYLZYUNMIZZDL-CQSZACIVSA-N 1 0 229.327 2.477 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)n1)C[C@H]1CC1(C)C ZINC000602713804 369847465 /nfs/dbraw/zinc/84/74/65/369847465.db2.gz CYMNOYWCMJFRGX-LLVKDONJSA-N 1 0 229.327 2.431 20 30 BEEDRO CC1CC(C[NH2+]Cc2cccc(C#N)n2)C1 ZINC000602713924 369847495 /nfs/dbraw/zinc/84/74/95/369847495.db2.gz GVKWPTGLJZIDKN-UHFFFAOYSA-N 1 0 215.300 2.089 20 30 BEEDRO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1cccc(C#N)c1 ZINC000602758905 369848811 /nfs/dbraw/zinc/84/88/11/369848811.db2.gz JDQYTYYREMDHMZ-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000602759786 369849096 /nfs/dbraw/zinc/84/90/96/369849096.db2.gz PACNWZZWKXWXBY-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000602759788 369849264 /nfs/dbraw/zinc/84/92/64/369849264.db2.gz PACNWZZWKXWXBY-SWLSCSKDSA-N 1 0 244.338 2.415 20 30 BEEDRO CCN(C#N)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000602803328 369852648 /nfs/dbraw/zinc/85/26/48/369852648.db2.gz WCCBFPBENJKOSA-GFCCVEGCSA-N 1 0 242.326 2.012 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000568152140 326313652 /nfs/dbraw/zinc/31/36/52/326313652.db2.gz YJLTVBBEFWMPAZ-RWMBFGLXSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[N@@H+](CC)C1CC1 ZINC000620858096 370011751 /nfs/dbraw/zinc/01/17/51/370011751.db2.gz WFYWDUQUJQEDSQ-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309832209 370265684 /nfs/dbraw/zinc/26/56/84/370265684.db2.gz YVKFEOBSGSNGBP-GWCFXTLKSA-N 1 0 215.300 2.231 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cncc(OCC)c1 ZINC000621340923 370273914 /nfs/dbraw/zinc/27/39/14/370273914.db2.gz WLVWJDLQEAIPJE-JTQLQIEISA-N 1 0 206.289 2.144 20 30 BEEDRO C=CCCC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621378865 370321772 /nfs/dbraw/zinc/32/17/72/370321772.db2.gz GFUQFWQSBLVTMJ-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCOC[C@H]1C ZINC000310617152 370357067 /nfs/dbraw/zinc/35/70/67/370357067.db2.gz GZNIBOLIUQMREF-DOMZBBRYSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000076909400 370365543 /nfs/dbraw/zinc/36/55/43/370365543.db2.gz MODKTHFVRZYOEM-UHFFFAOYSA-N 1 0 244.338 2.197 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000077176966 370398824 /nfs/dbraw/zinc/39/88/24/370398824.db2.gz YFAWXCHBMUJSDQ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)Cc1cncc(OCC)c1 ZINC000621722797 370475177 /nfs/dbraw/zinc/47/51/77/370475177.db2.gz JSJLQLAZQVDVRV-UHFFFAOYSA-N 1 0 206.289 2.098 20 30 BEEDRO Cc1noc(C)c1[C@H](C)NC[C@@H](C#N)CCC#N ZINC000113951171 370518564 /nfs/dbraw/zinc/51/85/64/370518564.db2.gz NVKGLXXELNEFQI-JOYOIKCWSA-N 1 0 246.314 2.386 20 30 BEEDRO Cc1noc(C)c1[C@@H](C)NC[C@@H](C#N)CCC#N ZINC000113951169 370519037 /nfs/dbraw/zinc/51/90/37/370519037.db2.gz NVKGLXXELNEFQI-BXKDBHETSA-N 1 0 246.314 2.386 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1COCC1(C)C ZINC000313065221 370566989 /nfs/dbraw/zinc/56/69/89/370566989.db2.gz MBOAFLIEHRTIFN-CQSZACIVSA-N 1 0 244.338 2.381 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000070074509 371008475 /nfs/dbraw/zinc/00/84/75/371008475.db2.gz ZSLQPXDAJVLCFY-TZMCWYRMSA-N 1 0 243.354 2.117 20 30 BEEDRO N#Cc1ccccc1CN1CCCC[C@H]1CC[NH3+] ZINC000070149449 371010692 /nfs/dbraw/zinc/01/06/92/371010692.db2.gz XWJILWBXLNNMOB-HNNXBMFYSA-N 1 0 243.354 2.262 20 30 BEEDRO COc1ccc(CC[NH2+][C@@H](C)CC#N)cc1 ZINC000037871167 371044851 /nfs/dbraw/zinc/04/48/51/371044851.db2.gz YBUISGPEKPTQOK-NSHDSACASA-N 1 0 218.300 2.129 20 30 BEEDRO N#Cc1ccc(OCC[NH2+]Cc2ccco2)cc1 ZINC000154295243 371100029 /nfs/dbraw/zinc/10/00/29/371100029.db2.gz OESODYSQNVUKSV-UHFFFAOYSA-N 1 0 242.278 2.320 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)o1)C[C@@H]1CCCO1 ZINC000092407269 371096921 /nfs/dbraw/zinc/09/69/21/371096921.db2.gz NMBRWNFYFOZXGC-LBPRGKRZSA-N 1 0 234.299 2.152 20 30 BEEDRO CN(Cc1cccc(C#N)c1)C[C@H]1CCC[N@@H+]1C ZINC000092628409 371106103 /nfs/dbraw/zinc/10/61/03/371106103.db2.gz KCPFMAYISDBBNS-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO CC[N@@H+]1CCN(c2cccc(F)c2C#N)C[C@@H]1C ZINC000093396700 371164519 /nfs/dbraw/zinc/16/45/19/371164519.db2.gz NJAXOEMDZVPCSI-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2scnc21 ZINC000623959172 371197943 /nfs/dbraw/zinc/19/79/43/371197943.db2.gz IUCZHBXGHNVZFQ-ZJUUUORDSA-N 1 0 238.356 2.047 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000019959853 371212179 /nfs/dbraw/zinc/21/21/79/371212179.db2.gz HVMUBNKRWIIPNM-HNNXBMFYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623994876 371228215 /nfs/dbraw/zinc/22/82/15/371228215.db2.gz GRJHRYSWQPOWCB-RFQIPJPRSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ncc[nH]1 ZINC000124753062 371230976 /nfs/dbraw/zinc/23/09/76/371230976.db2.gz JAJFUYPACCDYCZ-SNVBAGLBSA-N 1 0 220.320 2.390 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cncc(OC)c1C ZINC000631074893 371357612 /nfs/dbraw/zinc/35/76/12/371357612.db2.gz JWBBKAUWKWSZPF-JTQLQIEISA-N 1 0 220.316 2.453 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1COCCN1C ZINC000624173214 371363939 /nfs/dbraw/zinc/36/39/39/371363939.db2.gz BDBYCJJFNXCQEO-UONOGXRCSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1COCCN1C ZINC000624173213 371363951 /nfs/dbraw/zinc/36/39/51/371363951.db2.gz BDBYCJJFNXCQEO-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)/C=C(/C)C2CC2)CC1 ZINC001642841876 1172412113 /nfs/dbraw/zinc/41/21/13/1172412113.db2.gz SNKNWXRKHHNSMM-SEYXRHQNSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624218793 371407845 /nfs/dbraw/zinc/40/78/45/371407845.db2.gz BFGHCARZALVOGR-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000624344154 371489638 /nfs/dbraw/zinc/48/96/38/371489638.db2.gz GPPJDKYNKYFGKI-YPMHNXCESA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)C1CC1 ZINC000624299683 371465682 /nfs/dbraw/zinc/46/56/82/371465682.db2.gz SDCDTBVTAWYCSB-JHJVBQTASA-N 1 0 209.333 2.498 20 30 BEEDRO CC[C@]1(C(=O)Nc2cccc(C#N)c2)CCC[NH2+]1 ZINC000215640878 371603081 /nfs/dbraw/zinc/60/30/81/371603081.db2.gz IXZZFSOTUUDRRA-CQSZACIVSA-N 1 0 243.310 2.029 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCC23CC3)n1 ZINC000602727999 371834320 /nfs/dbraw/zinc/83/43/20/371834320.db2.gz HAOIOXBUCCFELU-CYBMUJFWSA-N 1 0 227.311 2.376 20 30 BEEDRO COCC[C@H](C)[NH+]1CCC(C)(C#N)CC1 ZINC000227351543 371842332 /nfs/dbraw/zinc/84/23/32/371842332.db2.gz TZYDDJHTQRIITD-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@@H](O)C(F)F)C1CC1 ZINC000631699704 371842775 /nfs/dbraw/zinc/84/27/75/371842775.db2.gz JYFPFJAZUUWILA-GHMZBOCLSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(O)cc1 ZINC000227541000 371888942 /nfs/dbraw/zinc/88/89/42/371888942.db2.gz ZGBVKMDGKIZVTG-UHFFFAOYSA-N 1 0 223.341 2.401 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000132741112 371911085 /nfs/dbraw/zinc/91/10/85/371911085.db2.gz ZIKLKJUQXAXQJH-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CCCCC[C@H]1CO ZINC000133528347 372069075 /nfs/dbraw/zinc/06/90/75/372069075.db2.gz MVFOVNSECREROP-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO CC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164621746 372173878 /nfs/dbraw/zinc/17/38/78/372173878.db2.gz GDLQXWARFPXNFH-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000172180484 372899256 /nfs/dbraw/zinc/89/92/56/372899256.db2.gz DRAMZEGLJBVJFU-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO N#Cc1ccc2ncc(C[NH2+]CC3CCC3)n2c1 ZINC000172339184 372943367 /nfs/dbraw/zinc/94/33/67/372943367.db2.gz FERQATRRKLKRIA-UHFFFAOYSA-N 1 0 240.310 2.096 20 30 BEEDRO N#CCCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000181508778 205665167 /nfs/dbraw/zinc/66/51/67/205665167.db2.gz UCBLHDDMAHSNSD-CYBMUJFWSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CCC(C)(C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414648867 205767746 /nfs/dbraw/zinc/76/77/46/205767746.db2.gz SMMDAXYZUBCVKV-VIFPVBQESA-N 1 0 223.320 2.074 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[N@@H+](C)CCC ZINC000633964519 373861374 /nfs/dbraw/zinc/86/13/74/373861374.db2.gz OJGSDALYGAKGQU-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](C)[NH+](C)C ZINC000633964639 373861689 /nfs/dbraw/zinc/86/16/89/373861689.db2.gz QEDFUMAUQXEVLI-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[N@@H+](C)C(C)C ZINC000633964202 373861851 /nfs/dbraw/zinc/86/18/51/373861851.db2.gz FQGVCVULNHCHJA-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N[C@H](C)CCC[NH3+] ZINC000417980551 205970380 /nfs/dbraw/zinc/97/03/80/205970380.db2.gz KPLUOXXQJPJTRQ-NWDGAFQWSA-N 1 0 241.379 2.158 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)Cc1ccccc1 ZINC000289576515 206028213 /nfs/dbraw/zinc/02/82/13/206028213.db2.gz BFXGZBCPRSXKKV-KGLIPLIRSA-N 1 0 219.328 2.144 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(C)s1)C(C)C ZINC000289516379 206028237 /nfs/dbraw/zinc/02/82/37/206028237.db2.gz OYOYJWGRUMEHAT-LLVKDONJSA-N 1 0 208.330 2.199 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000424634892 206043898 /nfs/dbraw/zinc/04/38/98/206043898.db2.gz FGJGWPLMQVPYCW-LLVKDONJSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000426560179 206050124 /nfs/dbraw/zinc/05/01/24/206050124.db2.gz OUHNTBCEWUMWLB-CYBMUJFWSA-N 1 0 246.358 2.083 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000428242546 206058850 /nfs/dbraw/zinc/05/88/50/206058850.db2.gz VNCFYIMOWIAJLT-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000167301193 206143788 /nfs/dbraw/zinc/14/37/88/206143788.db2.gz YJIKAKOSMZKOMP-UHFFFAOYSA-N 1 0 240.391 2.042 20 30 BEEDRO CCCC[C@H](COC)[NH2+]CCCCC#N ZINC000167260011 206145333 /nfs/dbraw/zinc/14/53/33/206145333.db2.gz ISLSBQJGMCPRGE-GFCCVEGCSA-N 1 0 212.337 2.475 20 30 BEEDRO CCOCC(C)(C)[NH2+]CCC(C)(C)C#N ZINC000339370908 170353800 /nfs/dbraw/zinc/35/38/00/170353800.db2.gz JABOYHMQWQFTQC-UHFFFAOYSA-N 1 0 212.337 2.331 20 30 BEEDRO OCC[N@H+](CC#Cc1ccc(Cl)cc1)C1CC1 ZINC000267342382 183065045 /nfs/dbraw/zinc/06/50/45/183065045.db2.gz DTHDEVGKTQGMDV-UHFFFAOYSA-N 1 0 249.741 2.148 20 30 BEEDRO OC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(Cl)cc1 ZINC000267390959 183121089 /nfs/dbraw/zinc/12/10/89/183121089.db2.gz ORPJPRPWTWWDFP-AWEZNQCLSA-N 1 0 249.741 2.148 20 30 BEEDRO CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000037098392 169085698 /nfs/dbraw/zinc/08/56/98/169085698.db2.gz HWOYDPAYJHKJSV-NSHDSACASA-N 1 0 245.326 2.227 20 30 BEEDRO CCC[N@H+](CC)CCNc1ccc(C#N)c(C)n1 ZINC000311140703 169123759 /nfs/dbraw/zinc/12/37/59/169123759.db2.gz LDBZUBFTFYCXAO-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)Nc1cccnc1C#N ZINC000357775148 169130037 /nfs/dbraw/zinc/13/00/37/169130037.db2.gz NUKGDGTUPWQOMP-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)Nc1cnccc1C#N ZINC000357816806 169130793 /nfs/dbraw/zinc/13/07/93/169130793.db2.gz YCBGUTGLFDKCNX-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CCO)Cc1ccc(C#N)c(C)c1 ZINC000362962340 169167169 /nfs/dbraw/zinc/16/71/69/169167169.db2.gz CXOKAUSIPJROTI-UHFFFAOYSA-N 1 0 232.327 2.071 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](CNc2ccnc(C#N)c2)C1 ZINC000283539069 169206977 /nfs/dbraw/zinc/20/69/77/169206977.db2.gz LQUKFPGFBXAGGZ-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO CO[C@H]1C[N@H+](CCC(C)(C)C#N)CC[C@@H]1C ZINC000221133877 134317260 /nfs/dbraw/zinc/31/72/60/134317260.db2.gz OHJYWFSXPGXXGW-RYUDHWBXSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000193552975 259605184 /nfs/dbraw/zinc/60/51/84/259605184.db2.gz OZEOQWKOVADPAM-STQMWFEESA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC001644474743 1172564382 /nfs/dbraw/zinc/56/43/82/1172564382.db2.gz LITQVCUCXMVEMO-FRRDWIJNSA-N 1 0 208.349 2.120 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC3(CCCC3)C2)CC1 ZINC001644687986 1172593043 /nfs/dbraw/zinc/59/30/43/1172593043.db2.gz MOWPAYYOVYQJMB-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO CC1(C)CN(Cc2cc(C#N)ccn2)CCS1 ZINC001644774938 1172607494 /nfs/dbraw/zinc/60/74/94/1172607494.db2.gz RNCZJIGCXPFNED-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO C#CC[N@@H+](C[C@H](COC)C(C)C)CC1CC1 ZINC001644964773 1172624495 /nfs/dbraw/zinc/62/44/95/1172624495.db2.gz CQHBUODQBJPNTE-CQSZACIVSA-N 1 0 223.360 2.250 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000185126390 134374569 /nfs/dbraw/zinc/37/45/69/134374569.db2.gz NSWWGGJVDACIAO-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC(C)(C)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647144882 383837091 /nfs/dbraw/zinc/83/70/91/383837091.db2.gz IDKXCXZWULJJNF-SECBINFHSA-N 1 0 221.304 2.348 20 30 BEEDRO C=C[C@@](C)(CC)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647146223 383854032 /nfs/dbraw/zinc/85/40/32/383854032.db2.gz PTOKHCCUSLAQNA-CABZTGNLSA-N 1 0 221.304 2.348 20 30 BEEDRO CO[C@@H]1C[N@H+](CCCCC#N)CC[C@@H]1C ZINC000221135903 383880986 /nfs/dbraw/zinc/88/09/86/383880986.db2.gz AQLBKCCJYLVRHR-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO COc1ccc(CN(C)C[C@H](C)C#N)cc1C#N ZINC000087829055 383871756 /nfs/dbraw/zinc/87/17/56/383871756.db2.gz ALLOKIWVFSEAQO-LLVKDONJSA-N 1 0 243.310 2.158 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(CCC)c1)C(C)C ZINC000300738019 383914640 /nfs/dbraw/zinc/91/46/40/383914640.db2.gz ALOOCQOUDXMWBE-CYBMUJFWSA-N 1 0 219.332 2.041 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000334665221 383932868 /nfs/dbraw/zinc/93/28/68/383932868.db2.gz IWNGXYIMXRONJF-CYBMUJFWSA-N 1 0 248.301 2.212 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)C(C)(C)C ZINC000283650742 383884167 /nfs/dbraw/zinc/88/41/67/383884167.db2.gz BFHZNRSVAWIORH-CQSZACIVSA-N 1 0 246.354 2.397 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1C ZINC000186697481 383898842 /nfs/dbraw/zinc/89/88/42/383898842.db2.gz KSKUHVZUOUVVKO-ZFWWWQNUSA-N 1 0 233.355 2.453 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCOCC2)cc1F ZINC000334737257 383987147 /nfs/dbraw/zinc/98/71/47/383987147.db2.gz CDJHFCZUECZINO-ZDUSSCGKSA-N 1 0 248.301 2.356 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](C#N)CCC#N)C1 ZINC000078316185 383987299 /nfs/dbraw/zinc/98/72/99/383987299.db2.gz BHEVTKRRMSOLBK-XQQFMLRXSA-N 1 0 219.332 2.408 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1cccc(C#N)c1 ZINC000339490460 383988292 /nfs/dbraw/zinc/98/82/92/383988292.db2.gz HHHYJFQWTIYANR-JTQLQIEISA-N 1 0 206.264 2.396 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CC(C)(C)CCC#N)C1 ZINC000558414771 383994424 /nfs/dbraw/zinc/99/44/24/383994424.db2.gz VPZGZXHGYRCIFQ-TXEJJXNPSA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000234782839 383997707 /nfs/dbraw/zinc/99/77/07/383997707.db2.gz JKFZGWTXJDJRDI-ZIAGYGMSSA-N 1 0 248.301 2.354 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(C#N)ccn1 ZINC000288694732 383953291 /nfs/dbraw/zinc/95/32/91/383953291.db2.gz BNBHPUIYHHFVKD-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000186708996 383956506 /nfs/dbraw/zinc/95/65/06/383956506.db2.gz YWZQICYXPOSAHM-YPMHNXCESA-N 1 0 237.347 2.052 20 30 BEEDRO COCCC[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000037232369 383962361 /nfs/dbraw/zinc/96/23/61/383962361.db2.gz OKYVTFGDNULBRY-GFCCVEGCSA-N 1 0 248.326 2.276 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)Nc1cnccc1C#N ZINC000289084293 384016292 /nfs/dbraw/zinc/01/62/92/384016292.db2.gz OIKNNTSQXOANDJ-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C[N@H+]1CC=C(CNc2ccc(F)cc2C#N)CC1 ZINC000336189689 384024976 /nfs/dbraw/zinc/02/49/76/384024976.db2.gz KNTVUDFZVDWLJG-UHFFFAOYSA-N 1 0 245.301 2.371 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H](NCC1([NH3+])CCC1)CC2 ZINC000335026064 384010821 /nfs/dbraw/zinc/01/08/21/384010821.db2.gz VRZTWAGGEOOWFL-AWEZNQCLSA-N 1 0 241.338 2.017 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091766530 384039649 /nfs/dbraw/zinc/03/96/49/384039649.db2.gz IAWNTXLSCYRXGR-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C#CC[C@@H]([NH2+]CCCCO)c1ccccc1 ZINC000298945920 384083058 /nfs/dbraw/zinc/08/30/58/384083058.db2.gz OKPFYTCQVPBQIR-CQSZACIVSA-N 1 0 217.312 2.113 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000229886600 259644074 /nfs/dbraw/zinc/64/40/74/259644074.db2.gz AFTWEMDKTNVDPW-LBPRGKRZSA-N 1 0 243.310 2.480 20 30 BEEDRO C#CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000113545730 533035301 /nfs/dbraw/zinc/03/53/01/533035301.db2.gz CYBQQRRLKIRSFR-UHFFFAOYSA-N 1 0 228.339 2.222 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnn1C(C)C ZINC000280308476 533033768 /nfs/dbraw/zinc/03/37/68/533033768.db2.gz ONNXKXWLVQDUDA-UHFFFAOYSA-N 1 0 219.332 2.357 20 30 BEEDRO C#CCCCC[NH2+]Cc1cn(C)nc1C(F)F ZINC000291231892 533034624 /nfs/dbraw/zinc/03/46/24/533034624.db2.gz PXHWCAVVGIZZPK-UHFFFAOYSA-N 1 0 241.285 2.251 20 30 BEEDRO C#CCC[N@H+](Cc1cccnc1)C1CC1 ZINC000299237098 384131639 /nfs/dbraw/zinc/13/16/39/384131639.db2.gz SVVLHLRZUZKJLW-UHFFFAOYSA-N 1 0 200.285 2.069 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@@H](COC(C)C)C1 ZINC000560461151 384147370 /nfs/dbraw/zinc/14/73/70/384147370.db2.gz YUCMBTJXYRHIOL-CYBMUJFWSA-N 1 0 227.348 2.078 20 30 BEEDRO C#CCCN1CC[NH+](Cc2ccccc2C)CC1 ZINC000299247779 384155270 /nfs/dbraw/zinc/15/52/70/384155270.db2.gz XMYFQRMFMHRZRL-UHFFFAOYSA-N 1 0 242.366 2.136 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCC12CCOCC2 ZINC000300849361 533040932 /nfs/dbraw/zinc/04/09/32/533040932.db2.gz AXVIAKCBFSTRRN-ZDUSSCGKSA-N 1 0 221.344 2.339 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)COC)c1ccc(F)cc1 ZINC000309620684 384170481 /nfs/dbraw/zinc/17/04/81/384170481.db2.gz FBLZLKGYDUQJKY-GXFFZTMASA-N 1 0 221.275 2.125 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185846264 134397889 /nfs/dbraw/zinc/39/78/89/134397889.db2.gz YNPRFNHMGPAATK-MELADBBJSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H](CNc1nc(Cl)c(C#N)s1)[NH+](C)C ZINC000235125539 384201209 /nfs/dbraw/zinc/20/12/09/384201209.db2.gz NIXAMACSBOCJBD-LURJTMIESA-N 1 0 244.751 2.030 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000377789080 533046477 /nfs/dbraw/zinc/04/64/77/533046477.db2.gz VAWODQNQTGOTDB-OLZOCXBDSA-N 1 0 219.328 2.043 20 30 BEEDRO CSCCN(C)Cc1cccc(F)c1C#N ZINC000362306105 384189617 /nfs/dbraw/zinc/18/96/17/384189617.db2.gz QEGRNPRAGANGKQ-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C[N@@H+](Cc1cccc(F)c1C#N)C[C@H]1CCOC1 ZINC000362287151 384189786 /nfs/dbraw/zinc/18/97/86/384189786.db2.gz SZJUFFAWRLIADF-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CCCc2ccccc2C1 ZINC000306064114 384196636 /nfs/dbraw/zinc/19/66/36/384196636.db2.gz XZRXMCAARYGNKA-CQSZACIVSA-N 1 0 245.322 2.162 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253095678 533047374 /nfs/dbraw/zinc/04/73/74/533047374.db2.gz PLJZPRLGLHRNKW-RBSFLKMASA-N 1 0 235.371 2.415 20 30 BEEDRO C#CCC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000373181441 533048543 /nfs/dbraw/zinc/04/85/43/533048543.db2.gz TUEQDUGLXIIQCG-UHFFFAOYSA-N 1 0 248.301 2.087 20 30 BEEDRO C[C@@H](CNc1c(F)cc(C#N)cc1F)[NH+](C)C ZINC000126971851 384232686 /nfs/dbraw/zinc/23/26/86/384232686.db2.gz JLGIIEWLPOUSIH-QMMMGPOBSA-N 1 0 239.269 2.198 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000286000485 384232859 /nfs/dbraw/zinc/23/28/59/384232859.db2.gz DIVWSHAUFCWZHW-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO Cc1cc(CN2CCOC(C)(C)C2)ccc1C#N ZINC000336531310 384233842 /nfs/dbraw/zinc/23/38/42/384233842.db2.gz PFYZXPMNXFFQHC-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO CC[C@]1(O)CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000336589280 384238366 /nfs/dbraw/zinc/23/83/66/384238366.db2.gz BJTVYLIFVJADHN-DOMZBBRYSA-N 1 0 244.338 2.466 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CC[C@@H]2C)ccc1C#N ZINC000310348726 384239835 /nfs/dbraw/zinc/23/98/35/384239835.db2.gz GBHPFYVWQZXQCE-GXFFZTMASA-N 1 0 230.311 2.455 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H]1c1cc(C)on1 ZINC000367019672 533049697 /nfs/dbraw/zinc/04/96/97/533049697.db2.gz JKTKPVGZVRAYRR-LBPRGKRZSA-N 1 0 204.273 2.143 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000369426477 533049953 /nfs/dbraw/zinc/04/99/53/533049953.db2.gz MNTWGCFLFBRAPJ-ZIAGYGMSSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCCCN(C)Cc1c(Cl)cnn1C ZINC000187340866 384215625 /nfs/dbraw/zinc/21/56/25/384215625.db2.gz PTUFALZOTWUPCJ-UHFFFAOYSA-N 1 0 227.739 2.472 20 30 BEEDRO C#CCC[NH+]1CCC(OC2CCCC2)CC1 ZINC000368433070 533047909 /nfs/dbraw/zinc/04/79/09/533047909.db2.gz ITABPCHYBQMTPM-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)c1nncn1C ZINC000235511181 384256495 /nfs/dbraw/zinc/25/64/95/384256495.db2.gz KCCBYZNZRSMJCT-NSHDSACASA-N 1 0 222.336 2.212 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC23CC3)c(F)c1 ZINC000335277028 384269980 /nfs/dbraw/zinc/26/99/80/384269980.db2.gz GLZBVKXRAPRREF-GFCCVEGCSA-N 1 0 216.259 2.339 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000336606085 384242432 /nfs/dbraw/zinc/24/24/32/384242432.db2.gz TZPHNPWCMRRGDF-ZDUSSCGKSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2C#N)C1 ZINC000335543160 384320545 /nfs/dbraw/zinc/32/05/45/384320545.db2.gz HYIKYMXYHRFZKI-STQMWFEESA-N 1 0 244.338 2.009 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)CC1CC1 ZINC000037903014 384284292 /nfs/dbraw/zinc/28/42/92/384284292.db2.gz FORRONZBWLISKJ-UHFFFAOYSA-N 1 0 200.285 2.400 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H](O)C(C)C ZINC000414526171 384290117 /nfs/dbraw/zinc/29/01/17/384290117.db2.gz KRLGOGZHFWGPBO-LSDHHAIUSA-N 1 0 246.354 2.443 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000153391214 384303140 /nfs/dbraw/zinc/30/31/40/384303140.db2.gz LTHWJOXVCLYUED-UHFFFAOYSA-N 1 0 207.321 2.304 20 30 BEEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000376558846 533055754 /nfs/dbraw/zinc/05/57/54/533055754.db2.gz QNMKZXDHJUIIIF-JSGCOSHPSA-N 1 0 214.312 2.488 20 30 BEEDRO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000233413290 384342194 /nfs/dbraw/zinc/34/21/94/384342194.db2.gz FUCULRJUNRUXLU-AAEUAGOBSA-N 1 0 217.316 2.175 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]CCC(C)(C)C#N ZINC000300370127 384359217 /nfs/dbraw/zinc/35/92/17/384359217.db2.gz SLAFGIGGSSTCJE-JQWIXIFHSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCOCC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625653686 384367751 /nfs/dbraw/zinc/36/77/51/384367751.db2.gz SSTHDJQRYJWMPF-GHMZBOCLSA-N 1 0 233.302 2.412 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCCc1ncn(C)n1 ZINC000647325546 384370850 /nfs/dbraw/zinc/37/08/50/384370850.db2.gz ITOBCYDHYALAQS-LBPRGKRZSA-N 1 0 236.363 2.082 20 30 BEEDRO CO[C@H]1CCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000174844649 384371790 /nfs/dbraw/zinc/37/17/90/384371790.db2.gz TZQXDMKZBCMHLZ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1cc(C[N@@H+]2CCCC[C@@H]2CO)ccc1C#N ZINC000335763832 384373068 /nfs/dbraw/zinc/37/30/68/384373068.db2.gz FLQVJUGUKYGONP-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000335620173 384397614 /nfs/dbraw/zinc/39/76/14/384397614.db2.gz NJEIGZATXNWFIT-GHMZBOCLSA-N 1 0 219.288 2.073 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC000088202989 384404525 /nfs/dbraw/zinc/40/45/25/384404525.db2.gz LUYOUDOEBJGHPX-GFCCVEGCSA-N 1 0 217.312 2.191 20 30 BEEDRO C=CCCCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000564410194 384409775 /nfs/dbraw/zinc/40/97/75/384409775.db2.gz QLQWBYRPRLZLRB-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000102328986 384411615 /nfs/dbraw/zinc/41/16/15/384411615.db2.gz WNVXQLCMIOGLCI-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2)C1 ZINC000285244538 384424096 /nfs/dbraw/zinc/42/40/96/384424096.db2.gz BXDORXAEKMAHBO-OKILXGFUSA-N 1 0 230.311 2.167 20 30 BEEDRO CN(c1ccc(C#N)c(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000070896760 384375689 /nfs/dbraw/zinc/37/56/89/384375689.db2.gz LZOCFBQFZJQDBS-LLVKDONJSA-N 1 0 235.718 2.010 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165161985 384386609 /nfs/dbraw/zinc/38/66/09/384386609.db2.gz UHRLCBQNLXNLHC-LBPRGKRZSA-N 1 0 238.356 2.260 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1ccccc1C#N ZINC000404232753 384464004 /nfs/dbraw/zinc/46/40/04/384464004.db2.gz IFOMEDCPEORQRE-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC001645156646 1172637813 /nfs/dbraw/zinc/63/78/13/1172637813.db2.gz AGIWJMWOTWWYLH-ZDUSSCGKSA-N 1 0 231.343 2.322 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2(CCO)CCCC2)c1 ZINC000285412676 384473258 /nfs/dbraw/zinc/47/32/58/384473258.db2.gz FYVPPEXIWSYFDO-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO C=CCCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000102490050 384483372 /nfs/dbraw/zinc/48/33/72/384483372.db2.gz LWLPJMFQNJKIQA-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000370728893 533068399 /nfs/dbraw/zinc/06/83/99/533068399.db2.gz FFNRFJUIHQFSDH-LSDHHAIUSA-N 1 0 246.329 2.184 20 30 BEEDRO COC[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000112985757 384508668 /nfs/dbraw/zinc/50/86/68/384508668.db2.gz DMTIOXVVKBCVRD-ZDUSSCGKSA-N 1 0 244.338 2.417 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161478270 384492927 /nfs/dbraw/zinc/49/29/27/384492927.db2.gz NKZAQUGTDCTYMV-OAHLLOKOSA-N 1 0 245.322 2.378 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC(=O)NCCC ZINC000150888456 384517181 /nfs/dbraw/zinc/51/71/81/384517181.db2.gz UTDCZYMWMPRAEI-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C[C@@H](N[C@H](C[NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423280219 384532283 /nfs/dbraw/zinc/53/22/83/384532283.db2.gz SMHWFXZHIRKBGJ-YMTOWFKASA-N 1 0 247.317 2.085 20 30 BEEDRO Cc1cc(CNC2CC([NH+](C)C)C2)ccc1C#N ZINC000564582409 384547969 /nfs/dbraw/zinc/54/79/69/384547969.db2.gz DOJRAQKKACENKP-UHFFFAOYSA-N 1 0 243.354 2.049 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)O1 ZINC000449446711 384548258 /nfs/dbraw/zinc/54/82/58/384548258.db2.gz UCQBXRVPVCXPCW-QNWJLWSRSA-N 1 0 222.332 2.224 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](CC)Cn1cncn1 ZINC000309716961 384550759 /nfs/dbraw/zinc/55/07/59/384550759.db2.gz UGLRSDYCFFIDOF-RYUDHWBXSA-N 1 0 222.336 2.001 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000049578430 384551061 /nfs/dbraw/zinc/55/10/61/384551061.db2.gz FYXZOLNPOFKZCW-UHFFFAOYSA-N 1 0 233.271 2.378 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC(=C)C)c1ccc(F)cc1 ZINC000491754990 384563385 /nfs/dbraw/zinc/56/33/85/384563385.db2.gz XFPNSROBMWSHGJ-CYBMUJFWSA-N 1 0 245.301 2.190 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000643794189 384539089 /nfs/dbraw/zinc/53/90/89/384539089.db2.gz IXGLKNNJDUEKRM-XUXIUFHCSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCN1CC=CCC1 ZINC000309743621 384576129 /nfs/dbraw/zinc/57/61/29/384576129.db2.gz IMJNTBZUEVQRTC-UONOGXRCSA-N 1 0 222.376 2.439 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](N(C)Cc2ccccc2)C1 ZINC000363480914 384579652 /nfs/dbraw/zinc/57/96/52/384579652.db2.gz PHEJHENFZCFQNX-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO OC[C@@H]1CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000293084706 384615044 /nfs/dbraw/zinc/61/50/44/384615044.db2.gz JYSVYRGKAYUWGQ-MRXNPFEDSA-N 1 0 243.350 2.133 20 30 BEEDRO CO[C@H](C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449268718 384620678 /nfs/dbraw/zinc/62/06/78/384620678.db2.gz ITSQDUFRQQWKHU-VOMCLLRMSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCCOC1 ZINC000355733895 384628099 /nfs/dbraw/zinc/62/80/99/384628099.db2.gz NGFJFTMXQIEHLJ-WFASDCNBSA-N 1 0 244.338 2.463 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)[C@H]1CCOC1 ZINC000336654035 384639377 /nfs/dbraw/zinc/63/93/77/384639377.db2.gz JWSAICZUJCCLSZ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1cc(N(C)Cc2cccc(C#N)c2)ncn1 ZINC000061948237 384642017 /nfs/dbraw/zinc/64/20/17/384642017.db2.gz IZISAHMZOYRHSH-UHFFFAOYSA-N 1 0 238.294 2.293 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000491774716 384645652 /nfs/dbraw/zinc/64/56/52/384645652.db2.gz AUKMMQYXEKAQMM-LBPRGKRZSA-N 1 0 239.359 2.452 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cc(C#N)ccn1 ZINC000290743161 384652984 /nfs/dbraw/zinc/65/29/84/384652984.db2.gz RQMGLMDVNLNJBO-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO N#Cc1cnc(C[N@H+](CC2CC2)C2CCC2)nc1 ZINC000565471766 384653273 /nfs/dbraw/zinc/65/32/73/384653273.db2.gz IHDZEEWTCBAYHP-UHFFFAOYSA-N 1 0 242.326 2.113 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)NCc1cccc(C#N)c1 ZINC000311018605 384658959 /nfs/dbraw/zinc/65/89/59/384658959.db2.gz BTMKFGYDARCZKS-ZDUSSCGKSA-N 1 0 245.370 2.377 20 30 BEEDRO C#CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735015 384660746 /nfs/dbraw/zinc/66/07/46/384660746.db2.gz ZUGPJNXYNMWFTM-OAHLLOKOSA-N 1 0 234.387 2.064 20 30 BEEDRO C=CCNC(=O)C[N@@H+]([C@@H](C)[C@H](C)CC)C1CC1 ZINC000104965998 384725356 /nfs/dbraw/zinc/72/53/56/384725356.db2.gz MCLBHWXRLLHCLA-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH+]2CCC(C#N)CC2)cc1 ZINC000173586947 384695757 /nfs/dbraw/zinc/69/57/57/384695757.db2.gz ITKXAAPNLPGSHU-HNNXBMFYSA-N 1 0 244.338 2.264 20 30 BEEDRO C=CCCC(=O)NCc1ccccc1C[NH+](C)C ZINC000102323505 384704574 /nfs/dbraw/zinc/70/45/74/384704574.db2.gz ABDDTNFOBCGXND-UHFFFAOYSA-N 1 0 246.354 2.331 20 30 BEEDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000565841256 384710022 /nfs/dbraw/zinc/71/00/22/384710022.db2.gz OIEIHFYLGCZPKA-NSHDSACASA-N 1 0 227.311 2.351 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(C(=O)OCC)CC1 ZINC000309947780 384731878 /nfs/dbraw/zinc/73/18/78/384731878.db2.gz DYNDTFDUDMAWFS-LLVKDONJSA-N 1 0 225.332 2.274 20 30 BEEDRO N#Cc1cc(F)cc(OCCC2CC[NH2+]CC2)c1 ZINC000311093988 384739010 /nfs/dbraw/zinc/73/90/10/384739010.db2.gz QLLGWEJXJLANAP-UHFFFAOYSA-N 1 0 248.301 2.466 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445811015 384744784 /nfs/dbraw/zinc/74/47/84/384744784.db2.gz NNDRAQSMJABOMC-LSDHHAIUSA-N 1 0 246.354 2.449 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H]2CC)nn1 ZINC000643902266 384779546 /nfs/dbraw/zinc/77/95/46/384779546.db2.gz MKJZFIJCGVEYHA-WCQYABFASA-N 1 0 234.347 2.132 20 30 BEEDRO N#CCCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000536370371 384748200 /nfs/dbraw/zinc/74/82/00/384748200.db2.gz YLZYRDDABRDORR-UHFFFAOYSA-N 1 0 244.342 2.262 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)c1cnn(C)c1 ZINC000044499016 384752023 /nfs/dbraw/zinc/75/20/23/384752023.db2.gz BDXMRGABRRKGCF-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cnn(C)c1 ZINC000044499024 384752776 /nfs/dbraw/zinc/75/27/76/384752776.db2.gz LCKVYPQYMPGRFQ-LLVKDONJSA-N 1 0 240.310 2.143 20 30 BEEDRO CC#CCC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000155815277 384769086 /nfs/dbraw/zinc/76/90/86/384769086.db2.gz UVRSDARIWJZNBW-HNNXBMFYSA-N 1 0 231.339 2.455 20 30 BEEDRO C=CCCC[NH+]1CCC(O)(C(F)F)CC1 ZINC000426462360 384817750 /nfs/dbraw/zinc/81/77/50/384817750.db2.gz SOCXYNKCUOHMQU-UHFFFAOYSA-N 1 0 219.275 2.045 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)CC)CC1 ZINC000106036843 384818790 /nfs/dbraw/zinc/81/87/90/384818790.db2.gz RNRPADODSIQYLS-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(COC)CC1)C(C)C ZINC000491816619 384835078 /nfs/dbraw/zinc/83/50/78/384835078.db2.gz SWADAXHPZSHBLE-JXQTWKCFSA-N 1 0 223.360 2.439 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647291065 384836476 /nfs/dbraw/zinc/83/64/76/384836476.db2.gz DCIIAJXZCWUXFT-MNOVXSKESA-N 1 0 219.332 2.445 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCn1cccn1 ZINC000126745982 384801501 /nfs/dbraw/zinc/80/15/01/384801501.db2.gz XFEAKCPHCITNHL-LBPRGKRZSA-N 1 0 207.321 2.218 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCCO2)cc1C ZINC000104152294 384804685 /nfs/dbraw/zinc/80/46/85/384804685.db2.gz MYIMWESWWQLQTL-CYBMUJFWSA-N 1 0 247.342 2.209 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(F)cc1 ZINC000104153563 384804774 /nfs/dbraw/zinc/80/47/74/384804774.db2.gz JZEJFUGZUSMJCZ-UHFFFAOYSA-N 1 0 223.295 2.030 20 30 BEEDRO CCc1cccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000104174147 384806866 /nfs/dbraw/zinc/80/68/66/384806866.db2.gz RQRRIQRRVOFIOW-CABZTGNLSA-N 1 0 217.316 2.384 20 30 BEEDRO C[NH+](C)CCSCc1ccc(C#N)c(F)c1 ZINC000188069908 384809690 /nfs/dbraw/zinc/80/96/90/384809690.db2.gz MNZBASJXEYIBFG-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000309762207 384814169 /nfs/dbraw/zinc/81/41/69/384814169.db2.gz MVFHVRFCFCEPIW-TZMCWYRMSA-N 1 0 219.328 2.317 20 30 BEEDRO CCCC(N)=NOCc1ccc(C#N)cc1 ZINC000105605498 384875547 /nfs/dbraw/zinc/87/55/47/384875547.db2.gz PMZKDFFKAQMOPB-UHFFFAOYSA-N 1 0 217.272 2.147 20 30 BEEDRO CCCC(N)=NOCc1cccc(F)c1 ZINC000105605208 384876177 /nfs/dbraw/zinc/87/61/77/384876177.db2.gz SECDNFHJVQJHOL-UHFFFAOYSA-N 1 0 210.252 2.415 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000177152622 384887554 /nfs/dbraw/zinc/88/75/54/384887554.db2.gz LFRRNPLZHLBOBG-NWDGAFQWSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]CCCc1cnn(C)c1 ZINC000314201391 384854570 /nfs/dbraw/zinc/85/45/70/384854570.db2.gz SSMXNAOTXYPJOM-CYBMUJFWSA-N 1 0 221.348 2.297 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000193333613 384950877 /nfs/dbraw/zinc/95/08/77/384950877.db2.gz MTCSRQUMCMSZPE-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000449470895 384894466 /nfs/dbraw/zinc/89/44/66/384894466.db2.gz BMVREESQJDQUOD-XQQFMLRXSA-N 1 0 221.344 2.500 20 30 BEEDRO CCC[NH+]1CCN(Cc2cc(C#N)cs2)CC1 ZINC000179495657 384895628 /nfs/dbraw/zinc/89/56/28/384895628.db2.gz DJOSLBWWIWYGHL-UHFFFAOYSA-N 1 0 249.383 2.147 20 30 BEEDRO CC(C)SCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308662386 384898052 /nfs/dbraw/zinc/89/80/52/384898052.db2.gz QTEWHFYECFJTGB-WDEREUQCSA-N 1 0 212.362 2.410 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccccc1O ZINC000156627842 384898941 /nfs/dbraw/zinc/89/89/41/384898941.db2.gz ZCUZRCYUQQGKCD-UHFFFAOYSA-N 1 0 203.285 2.237 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000308659132 384902124 /nfs/dbraw/zinc/90/21/24/384902124.db2.gz PIEHYMUHBYWAKY-MRVPVSSYSA-N 1 0 211.227 2.467 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000181089112 384909751 /nfs/dbraw/zinc/90/97/51/384909751.db2.gz LOZGEDPBQGKOOF-UHFFFAOYSA-N 1 0 230.311 2.217 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000320316370 384926445 /nfs/dbraw/zinc/92/64/45/384926445.db2.gz WJIODDPGRYFTGS-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000306419200 384932029 /nfs/dbraw/zinc/93/20/29/384932029.db2.gz VCJDKNWUWYXVNX-SNVBAGLBSA-N 1 0 203.713 2.240 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@H]1C[C@H]1c1ccccc1 ZINC000491465258 384939657 /nfs/dbraw/zinc/93/96/57/384939657.db2.gz VPIRHVQXKWADAH-OAGGEKHMSA-N 1 0 241.334 2.124 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCCO1 ZINC000135496475 384972348 /nfs/dbraw/zinc/97/23/48/384972348.db2.gz UVGHFBOZYPEUTC-SKDRFNHKSA-N 1 0 236.340 2.277 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C1CCOCC1 ZINC000087608501 384979430 /nfs/dbraw/zinc/97/94/30/384979430.db2.gz OIFNSQNWJXKKBY-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000371716494 384983809 /nfs/dbraw/zinc/98/38/09/384983809.db2.gz OSNMILQBJCECMA-STQMWFEESA-N 1 0 209.333 2.500 20 30 BEEDRO CSCc1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000187841491 384988417 /nfs/dbraw/zinc/98/84/17/384988417.db2.gz KZDRSPZGLQPICF-UHFFFAOYSA-N 1 0 249.383 2.116 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(-c2cc[nH]n2)o1)C(C)C ZINC000491485485 385000156 /nfs/dbraw/zinc/00/01/56/385000156.db2.gz PBYIPUBPZIOYSO-GFCCVEGCSA-N 1 0 243.310 2.417 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164533883 385005364 /nfs/dbraw/zinc/00/53/64/385005364.db2.gz IXXAJAAVGIECJH-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO COc1ccc(CCO[NH+]=C(N)C(C)C)cc1 ZINC000128624366 385056710 /nfs/dbraw/zinc/05/67/10/385056710.db2.gz CFZWFVRMXNGDHA-UHFFFAOYSA-N 1 0 236.315 2.183 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)c1ccc(Cl)cc1 ZINC000491182106 385059362 /nfs/dbraw/zinc/05/93/62/385059362.db2.gz YIFMGZUWIGOXKQ-CYBMUJFWSA-N 1 0 237.730 2.329 20 30 BEEDRO C=CCC1(C[NH2+]C[C@H](O)CC)CCCC1 ZINC000644663058 385072188 /nfs/dbraw/zinc/07/21/88/385072188.db2.gz VBLPVUUWKOWSLQ-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc(C)c1O ZINC000165161595 385076570 /nfs/dbraw/zinc/07/65/70/385076570.db2.gz LGWZRPDTZGJDNR-LBPRGKRZSA-N 1 0 218.300 2.483 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)CCOC(C)C ZINC000644638843 385044206 /nfs/dbraw/zinc/04/42/06/385044206.db2.gz CKPZGFOAKJEKQP-OLZOCXBDSA-N 1 0 229.364 2.107 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccncc1 ZINC000105462524 385044749 /nfs/dbraw/zinc/04/47/49/385044749.db2.gz PIBRZYZSJVRHNX-UHFFFAOYSA-N 1 0 208.330 2.090 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1C ZINC000189267275 385136425 /nfs/dbraw/zinc/13/64/25/385136425.db2.gz TZYSBNSXIPBMAX-WFASDCNBSA-N 1 0 244.338 2.415 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C2CC2)CC1 ZINC000644719320 385139051 /nfs/dbraw/zinc/13/90/51/385139051.db2.gz SMQNHGXVTGPMQM-CYBMUJFWSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336236033 385090701 /nfs/dbraw/zinc/09/07/01/385090701.db2.gz JHNDNMYWQUUFSY-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000559638218 385090859 /nfs/dbraw/zinc/09/08/59/385090859.db2.gz CVTMEBMQRBRYJP-GJZGRUSLSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@H](OC)CC1 ZINC000306572816 385094362 /nfs/dbraw/zinc/09/43/62/385094362.db2.gz PMVGFDCCDFPHAT-JTQLQIEISA-N 1 0 248.164 2.396 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000424292669 385140868 /nfs/dbraw/zinc/14/08/68/385140868.db2.gz HDSCLNWEYGTANW-FQUUOJAGSA-N 1 0 221.344 2.356 20 30 BEEDRO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000336255170 385103570 /nfs/dbraw/zinc/10/35/70/385103570.db2.gz XSTHNHTYOHNHHR-HZMBPMFUSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CCO/[NH+]=C/c1ccc(N2CCOCC2)cc1 ZINC000165321402 385103840 /nfs/dbraw/zinc/10/38/40/385103840.db2.gz MBCKAQIWZWZRTO-NTCAYCPXSA-N 1 0 246.310 2.060 20 30 BEEDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1cccc(C#N)c1 ZINC000289749533 385188657 /nfs/dbraw/zinc/18/86/57/385188657.db2.gz KZLFQHCKLFGEKC-NSHDSACASA-N 1 0 240.310 2.175 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC(C)(C)O)C1CC1 ZINC000308820014 385188717 /nfs/dbraw/zinc/18/87/17/385188717.db2.gz BROJGAOUIOIZTB-GFCCVEGCSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CO)C1CC1 ZINC000308824951 385191629 /nfs/dbraw/zinc/19/16/29/385191629.db2.gz DHWRXDOHIQZNJX-DMDPSCGWSA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000189284275 385148475 /nfs/dbraw/zinc/14/84/75/385148475.db2.gz GWDJNNWEUQQEIP-WHOFXGATSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC[N@H+](C)CCO[C@H]1CCCCO1 ZINC000444682389 385172320 /nfs/dbraw/zinc/17/23/20/385172320.db2.gz ZYKPXRJPAFGYQU-LBPRGKRZSA-N 1 0 213.321 2.038 20 30 BEEDRO C=CCCC[N@@H+](C)C1CCN(CC)CC1 ZINC000157438275 385172713 /nfs/dbraw/zinc/17/27/13/385172713.db2.gz NFLBHWKLTMDFSU-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000644784660 385177320 /nfs/dbraw/zinc/17/73/20/385177320.db2.gz DQSBWGIKKDTCTG-JSGCOSHPSA-N 1 0 247.338 2.207 20 30 BEEDRO C=CCCCC[NH2+]Cc1cncn1CC ZINC000336716031 385179015 /nfs/dbraw/zinc/17/90/15/385179015.db2.gz WWZWAMAVRISSTG-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO CC[C@H](CSC)[NH2+]Cc1ccc(C#N)o1 ZINC000135521579 385180574 /nfs/dbraw/zinc/18/05/74/385180574.db2.gz BVSNAYKUSXDDAJ-SECBINFHSA-N 1 0 224.329 2.382 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCc2ccco2)C1 ZINC000308856385 385219562 /nfs/dbraw/zinc/21/95/62/385219562.db2.gz QEVXSBYMVZYYFI-QWRGUYRKSA-N 1 0 204.273 2.104 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000308859480 385222884 /nfs/dbraw/zinc/22/28/84/385222884.db2.gz XXSBTNSLJNGCAA-VXGBXAGGSA-N 1 0 204.317 2.458 20 30 BEEDRO CCCC[N@H+](C)CCNc1nccc(C)c1C#N ZINC000343516307 385226085 /nfs/dbraw/zinc/22/60/85/385226085.db2.gz UZSRKLBJRXTFHQ-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO CCC(O)(CC)C[NH2+]Cc1cccc(C#N)c1 ZINC000063918034 385240072 /nfs/dbraw/zinc/24/00/72/385240072.db2.gz YMULMIABNAQDOR-UHFFFAOYSA-N 1 0 232.327 2.199 20 30 BEEDRO CCOC1(C)CC[NH+](CCCC#N)CC1 ZINC000308896943 385249295 /nfs/dbraw/zinc/24/92/95/385249295.db2.gz JDBSLUSGVJSFSR-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C#CC[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC000157916470 385305149 /nfs/dbraw/zinc/30/51/49/385305149.db2.gz FPWBKHZUMYLNSX-GFCCVEGCSA-N 1 0 215.296 2.118 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000308946060 385306992 /nfs/dbraw/zinc/30/69/92/385306992.db2.gz NSDKYQDHHMYEBW-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000308946059 385307132 /nfs/dbraw/zinc/30/71/32/385307132.db2.gz NSDKYQDHHMYEBW-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO CN(CC[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000131233505 385319448 /nfs/dbraw/zinc/31/94/48/385319448.db2.gz FFTJZDUSKPOPAV-UHFFFAOYSA-N 1 0 243.354 2.358 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000343605624 385259380 /nfs/dbraw/zinc/25/93/80/385259380.db2.gz OXNHLNXSBHKCKC-NEPJUHHUSA-N 1 0 232.327 2.114 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000363380307 385266867 /nfs/dbraw/zinc/26/68/67/385266867.db2.gz IPKOHPBCEMIRLX-UHFFFAOYSA-N 1 0 248.326 2.004 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000126233689 385276622 /nfs/dbraw/zinc/27/66/22/385276622.db2.gz YLKKVMYKIATZAZ-OAHLLOKOSA-N 1 0 247.313 2.440 20 30 BEEDRO C=CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247056993 385285617 /nfs/dbraw/zinc/28/56/17/385285617.db2.gz ZNUPZMDUHMUJTN-JSGCOSHPSA-N 1 0 220.360 2.121 20 30 BEEDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)O1 ZINC000189721525 385288576 /nfs/dbraw/zinc/28/85/76/385288576.db2.gz ZCEABIKVPUMBBI-LBPRGKRZSA-N 1 0 234.299 2.198 20 30 BEEDRO CC#CC[N@@H+](C)C[C@H](OC)c1ccc(F)cc1 ZINC000625450000 385300746 /nfs/dbraw/zinc/30/07/46/385300746.db2.gz RJYRDPVPRXSXPU-AWEZNQCLSA-N 1 0 235.302 2.468 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000308988050 385333762 /nfs/dbraw/zinc/33/37/62/385333762.db2.gz KGZZWPULXVSUQQ-GRYCIOLGSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc2n[nH]cc2c1 ZINC000308990723 385334880 /nfs/dbraw/zinc/33/48/80/385334880.db2.gz LCBYVNGLFRKVTK-SECBINFHSA-N 1 0 201.273 2.400 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000280647271 385347165 /nfs/dbraw/zinc/34/71/65/385347165.db2.gz NWRWQHFCZFDCLH-STQMWFEESA-N 1 0 220.316 2.086 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000491325948 385350675 /nfs/dbraw/zinc/35/06/75/385350675.db2.gz IJNIZIZUJNRFRN-LLVKDONJSA-N 1 0 225.332 2.062 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C ZINC000247642019 385359612 /nfs/dbraw/zinc/35/96/12/385359612.db2.gz TVEOBCCGPVQGRH-CHWSQXEVSA-N 1 0 236.359 2.060 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C1CC1 ZINC000309019690 385372698 /nfs/dbraw/zinc/37/26/98/385372698.db2.gz WHJYNASCIUWWSY-UHTWSYAYSA-N 1 0 209.333 2.356 20 30 BEEDRO CCOCCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309042488 385387171 /nfs/dbraw/zinc/38/71/71/385387171.db2.gz LYVOWZJRDPLPHF-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC1CC[NH+](CCN2CCCCC2)CC1 ZINC000158088242 385326481 /nfs/dbraw/zinc/32/64/81/385326481.db2.gz KDDDSNZAORBJDZ-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO C[C@H]1COCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000309060210 385396390 /nfs/dbraw/zinc/39/63/90/385396390.db2.gz YMRSHWGDNGQSRQ-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO CC[N@H+](CCC#N)CCC1CCOCC1 ZINC000309079999 385400948 /nfs/dbraw/zinc/40/09/48/385400948.db2.gz OGZGLVQVUSEHTN-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@H]1CCCOC1 ZINC000309113821 385422921 /nfs/dbraw/zinc/42/29/21/385422921.db2.gz KPWRPIMSVPZIAW-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CCCC[C@H]1O ZINC001172491241 974836260 /nfs/dbraw/zinc/83/62/60/974836260.db2.gz FJKOIRUFPGLPNM-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000309161172 385443071 /nfs/dbraw/zinc/44/30/71/385443071.db2.gz ZBFQCKSXYFCRDN-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CC=CCC1)Nc1ccccn1 ZINC000170909637 385454211 /nfs/dbraw/zinc/45/42/11/385454211.db2.gz WNZCTWFUPSZUJT-LLVKDONJSA-N 1 0 230.315 2.165 20 30 BEEDRO Cc1cccc(C(C)(C)CNC(=[NH2+])N(C)C)c1 ZINC000170912383 385456331 /nfs/dbraw/zinc/45/63/31/385456331.db2.gz ARMHDBBCQGEPLF-UHFFFAOYSA-N 1 0 233.359 2.149 20 30 BEEDRO CC#CC[N@@H+](CCOC)C[C@H]1CC=CCC1 ZINC000362249827 385464971 /nfs/dbraw/zinc/46/49/71/385464971.db2.gz KEGJXQFRRFHFME-AWEZNQCLSA-N 1 0 221.344 2.314 20 30 BEEDRO N#Cc1ccc(-c2ccc(C[NH3+])nc2)cc1 ZINC000584599184 385467801 /nfs/dbraw/zinc/46/78/01/385467801.db2.gz RKFIKMXRYLWCNI-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000341260769 385477262 /nfs/dbraw/zinc/47/72/62/385477262.db2.gz CEOUXIYOLAIYID-HUUCEWRRSA-N 1 0 244.338 2.463 20 30 BEEDRO Cc1ncc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000309220856 385481404 /nfs/dbraw/zinc/48/14/04/385481404.db2.gz VDPWXJSDAWOBFI-NXEZZACHSA-N 1 0 221.329 2.233 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444733481 385491122 /nfs/dbraw/zinc/49/11/22/385491122.db2.gz XMBITGQDQIIECQ-GHMZBOCLSA-N 1 0 249.276 2.035 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1cccnc1C#N ZINC000290605543 385500026 /nfs/dbraw/zinc/50/00/26/385500026.db2.gz ZRPQUIWZRHUNOB-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1cc(C#N)cs1 ZINC000581099200 385509705 /nfs/dbraw/zinc/50/97/05/385509705.db2.gz OWLURAMZTRZJFT-UHFFFAOYSA-N 1 0 237.372 2.003 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)s1)C[C@H]1CCOC1 ZINC000180160600 385509900 /nfs/dbraw/zinc/50/99/00/385509900.db2.gz RTZWLCAXWWGVMI-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO CC(C)OCCC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000564096939 385514250 /nfs/dbraw/zinc/51/42/50/385514250.db2.gz SNKQUDKITJEVRM-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000264476721 385571519 /nfs/dbraw/zinc/57/15/19/385571519.db2.gz YVUGCXZYOGGKSR-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000309407169 385572255 /nfs/dbraw/zinc/57/22/55/385572255.db2.gz BBBQRAPDIGHXQS-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000309464501 385593729 /nfs/dbraw/zinc/59/37/29/385593729.db2.gz OYEFTEXYVWTINT-WCQYABFASA-N 1 0 225.332 2.274 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)s1 ZINC000336650489 385603462 /nfs/dbraw/zinc/60/34/62/385603462.db2.gz IRNIHEIXRTYVPF-VHSXEESVSA-N 1 0 211.330 2.254 20 30 BEEDRO C=C(C)COCCNc1cc[nH+]c(C)c1Cl ZINC000336677109 385605035 /nfs/dbraw/zinc/60/50/35/385605035.db2.gz VYMVIHKKKHYBGX-UHFFFAOYSA-N 1 0 240.734 2.470 20 30 BEEDRO C=CCC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000336650826 385620236 /nfs/dbraw/zinc/62/02/36/385620236.db2.gz QDYDTCSFJSLYTH-NSHDSACASA-N 1 0 203.285 2.025 20 30 BEEDRO CC[C@H](C)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598596433 385622592 /nfs/dbraw/zinc/62/25/92/385622592.db2.gz QHLOKWSFIMRZGE-QWRGUYRKSA-N 1 0 212.337 2.017 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598724826 385629028 /nfs/dbraw/zinc/62/90/28/385629028.db2.gz RKEIGOBBRFYXNK-JHJVBQTASA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)o2)[C@@H](C)O1 ZINC000414515237 385632054 /nfs/dbraw/zinc/63/20/54/385632054.db2.gz NAGHGYNQTGEDKX-GMTAPVOTSA-N 1 0 234.299 2.054 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1cccc(F)c1)C(C)C ZINC000302401294 385635140 /nfs/dbraw/zinc/63/51/40/385635140.db2.gz RQYGHXSBTNUIJK-ZIAGYGMSSA-N 1 0 235.302 2.107 20 30 BEEDRO CC#CC[N@@H+](C)CCOCc1ccc(OC)cc1 ZINC000645262022 385664554 /nfs/dbraw/zinc/66/45/54/385664554.db2.gz DRNJISZAPIIIRY-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C1CCC(O)CC1 ZINC000336652567 385643540 /nfs/dbraw/zinc/64/35/40/385643540.db2.gz CNAMSFLLOSRQDL-UHFFFAOYSA-N 1 0 211.349 2.482 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000451076292 385646226 /nfs/dbraw/zinc/64/62/26/385646226.db2.gz GPGLTJGIEHPFDL-DZGCQCFKSA-N 1 0 231.339 2.106 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1(CO)CCC1 ZINC000184518301 385672281 /nfs/dbraw/zinc/67/22/81/385672281.db2.gz KGVPWCFUQINYJH-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000309540431 385673976 /nfs/dbraw/zinc/67/39/76/385673976.db2.gz FSZCPVHORIXFOK-LOWVWBTDSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]1C[C@H](O)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000414527394 385678721 /nfs/dbraw/zinc/67/87/21/385678721.db2.gz QYEDEYZRHJRPMF-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)C1CCCC1 ZINC000184669065 385689793 /nfs/dbraw/zinc/68/97/93/385689793.db2.gz WAGHREGVQJHWLE-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH2+]CC1CCC(C#N)CC1 ZINC000281696615 385692195 /nfs/dbraw/zinc/69/21/95/385692195.db2.gz NLBHBQOZCCBBFJ-UHFFFAOYSA-N 1 0 246.358 2.446 20 30 BEEDRO C#CC[N@@H+](C[C@@H](CC)OC)C1CCCC1 ZINC000491729814 385703176 /nfs/dbraw/zinc/70/31/76/385703176.db2.gz ODVCQMLBKMWELS-CYBMUJFWSA-N 1 0 209.333 2.289 20 30 BEEDRO COc1cc(C[NH2+][C@@H](C)[C@H](C)OC)ccc1C#N ZINC000281848621 385706677 /nfs/dbraw/zinc/70/66/77/385706677.db2.gz YZIOFCRIGOTYTH-QWRGUYRKSA-N 1 0 248.326 2.080 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1csc(C2CC2)n1 ZINC000309574648 385707279 /nfs/dbraw/zinc/70/72/79/385707279.db2.gz OHFVYSWELUKLIE-JTQLQIEISA-N 1 0 238.356 2.047 20 30 BEEDRO C[NH+](C)C1(CNc2ccc(C#N)cc2)CC1 ZINC000397805755 385712221 /nfs/dbraw/zinc/71/22/21/385712221.db2.gz DSZABCIYQDKMPI-UHFFFAOYSA-N 1 0 215.300 2.064 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000309584125 385715361 /nfs/dbraw/zinc/71/53/61/385715361.db2.gz RMLPHFCYVXUKLT-JOYOIKCWSA-N 1 0 219.263 2.003 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)O1 ZINC000398093552 385736640 /nfs/dbraw/zinc/73/66/40/385736640.db2.gz PEPOWTPRSUYZIV-ONGXEEELSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)cs2)O1 ZINC000398093550 385737316 /nfs/dbraw/zinc/73/73/16/385737316.db2.gz PEPOWTPRSUYZIV-KOLCDFICSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1ccnn1C ZINC000282369807 385756600 /nfs/dbraw/zinc/75/66/00/385756600.db2.gz QGMMCNYYNCJUGV-HIFPTAJRSA-N 1 0 246.358 2.401 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1sc(CC)nc1C ZINC000309633615 385759376 /nfs/dbraw/zinc/75/93/76/385759376.db2.gz IRKRPIYTMMOYMC-SCZZXKLOSA-N 1 0 240.372 2.211 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000336655851 385766885 /nfs/dbraw/zinc/76/68/85/385766885.db2.gz ABUJBQGUAFEGEU-UTUOFQBUSA-N 1 0 209.333 2.356 20 30 BEEDRO Cc1nsc(N[C@@H](C)CC[NH+](C)C)c1C#N ZINC000086254903 385769745 /nfs/dbraw/zinc/76/97/45/385769745.db2.gz LBKPULCKXLWVJW-QMMMGPOBSA-N 1 0 238.360 2.075 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000186695244 385780665 /nfs/dbraw/zinc/78/06/65/385780665.db2.gz PGYWDZJFCZPCSD-JSGCOSHPSA-N 1 0 249.354 2.153 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000186696052 385782288 /nfs/dbraw/zinc/78/22/88/385782288.db2.gz ONRAJAFOBKTWPF-SMDDNHRTSA-N 1 0 230.311 2.146 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000491745872 385782286 /nfs/dbraw/zinc/78/22/86/385782286.db2.gz ZCNVEINYGFVLNP-GFCCVEGCSA-N 1 0 227.311 2.096 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000186699472 385782630 /nfs/dbraw/zinc/78/26/30/385782630.db2.gz IDVVMOQDJYUPAP-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1 ZINC000186699457 385782722 /nfs/dbraw/zinc/78/27/22/385782722.db2.gz IDVVMOQDJYUPAP-WCQYABFASA-N 1 0 235.327 2.283 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCC(C)(C)C1 ZINC000186706602 385785077 /nfs/dbraw/zinc/78/50/77/385785077.db2.gz GKYYXOQYXBPESZ-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C[NH2+]C[C@@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000168342872 385724201 /nfs/dbraw/zinc/72/42/01/385724201.db2.gz XFDQNKFMVPUKSP-SECBINFHSA-N 1 0 237.734 2.479 20 30 BEEDRO CC[C@]1(C)COCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602614710 385808964 /nfs/dbraw/zinc/80/89/64/385808964.db2.gz GKTWHVGQLAGFNQ-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309615351 134472974 /nfs/dbraw/zinc/47/29/74/134472974.db2.gz BMESHXQWLNZWOV-AVGNSLFASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000414568238 385825486 /nfs/dbraw/zinc/82/54/86/385825486.db2.gz YLIPAUIVFNOYKT-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCCSC1 ZINC000309699657 385797812 /nfs/dbraw/zinc/79/78/12/385797812.db2.gz SJYUWAKRBCCRDM-UPJWGTAASA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCOc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000414874226 385885197 /nfs/dbraw/zinc/88/51/97/385885197.db2.gz YVQLDLGHUGVEDZ-AWEZNQCLSA-N 1 0 246.354 2.093 20 30 BEEDRO CC[C@H](C[N@H+](C)Cc1cccc(C#N)c1)OC ZINC000397082951 385894920 /nfs/dbraw/zinc/89/49/20/385894920.db2.gz GXSBBCQLKKZCQY-CQSZACIVSA-N 1 0 232.327 2.415 20 30 BEEDRO C#CC[NH+]1CCC(Oc2ccc(F)cc2)CC1 ZINC000115558567 533149494 /nfs/dbraw/zinc/14/94/94/533149494.db2.gz USGCZMVMZLMLGK-UHFFFAOYSA-N 1 0 233.286 2.302 20 30 BEEDRO CN(C)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCC1 ZINC000618577475 385874142 /nfs/dbraw/zinc/87/41/42/385874142.db2.gz JRCZKQQYLCARAP-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@H]1CCCOC1 ZINC000334439290 385874387 /nfs/dbraw/zinc/87/43/87/385874387.db2.gz UUGUFAPDQMCLST-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO CN1CC[NH+]=C1N[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000262688505 385875349 /nfs/dbraw/zinc/87/53/49/385875349.db2.gz ZJLXWZMZTRLALS-NWDGAFQWSA-N 1 0 249.745 2.087 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000414146974 385994898 /nfs/dbraw/zinc/99/48/98/385994898.db2.gz LVUFHCXCYZJCPZ-MLGHIDQZSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414134535 385980610 /nfs/dbraw/zinc/98/06/10/385980610.db2.gz GUAYAHDTWRVOOE-SCRDCRAPSA-N 1 0 249.358 2.052 20 30 BEEDRO CO[C@H]1C[N@H+](CCCCC#N)CC[C@@H]1C ZINC000189349106 385984798 /nfs/dbraw/zinc/98/47/98/385984798.db2.gz AQLBKCCJYLVRHR-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCCCCSC ZINC000273331153 385989323 /nfs/dbraw/zinc/98/93/23/385989323.db2.gz JQRWXEUZCPGTEM-UHFFFAOYSA-N 1 0 243.420 2.390 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000414143976 385991222 /nfs/dbraw/zinc/99/12/22/385991222.db2.gz JEWLPDRKFKMZLL-JTQLQIEISA-N 1 0 207.321 2.283 20 30 BEEDRO C#CC[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000363018334 533153693 /nfs/dbraw/zinc/15/36/93/533153693.db2.gz RXPKDSXYDZMYQS-UHFFFAOYSA-N 1 0 228.339 2.140 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(C)nc1 ZINC000336746417 385936604 /nfs/dbraw/zinc/93/66/04/385936604.db2.gz BKQQDIUSMNDEFA-LBPRGKRZSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c(Cl)cnn1C ZINC000189215104 385952025 /nfs/dbraw/zinc/95/20/25/385952025.db2.gz OTILVQYYXYJNSG-QMMMGPOBSA-N 1 0 213.712 2.128 20 30 BEEDRO C#CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1 ZINC000368909467 533153009 /nfs/dbraw/zinc/15/30/09/533153009.db2.gz IPPDNZPBVGEMDR-LSDHHAIUSA-N 1 0 229.323 2.208 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(=O)N(C)CC ZINC000189405706 386006602 /nfs/dbraw/zinc/00/66/02/386006602.db2.gz WMPNLRFETJASSQ-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414117220 386012063 /nfs/dbraw/zinc/01/20/63/386012063.db2.gz RUXIQIXGFGJKOI-MNOVXSKESA-N 1 0 220.316 2.185 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414171207 386017241 /nfs/dbraw/zinc/01/72/41/386017241.db2.gz XBLUVXQVKLFCGW-UTUOFQBUSA-N 1 0 241.375 2.105 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000182016993 386019332 /nfs/dbraw/zinc/01/93/32/386019332.db2.gz CXTLGDDGMOOYBX-NSHDSACASA-N 1 0 218.300 2.025 20 30 BEEDRO C=C[C@@](C)(CC)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000414646661 386057266 /nfs/dbraw/zinc/05/72/66/386057266.db2.gz PTQBMOQBQJCEHI-SKDRFNHKSA-N 1 0 223.320 2.074 20 30 BEEDRO C=C(C)C[NH+]1CCN(c2cnccc2C)CC1 ZINC000334437388 386042924 /nfs/dbraw/zinc/04/29/24/386042924.db2.gz RGUIWWYFUBFCAS-UHFFFAOYSA-N 1 0 231.343 2.088 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1C ZINC000414165550 386047626 /nfs/dbraw/zinc/04/76/26/386047626.db2.gz PUCIGULSEBRQCE-VXGBXAGGSA-N 1 0 235.327 2.201 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)cn1 ZINC000414164944 386047827 /nfs/dbraw/zinc/04/78/27/386047827.db2.gz KYFMCNZEPYIGOK-LLVKDONJSA-N 1 0 234.347 2.493 20 30 BEEDRO Cn1cc2c(n1)CCC[C@H]2[NH2+]CC(C)(C)CC#N ZINC000414165395 386047992 /nfs/dbraw/zinc/04/79/92/386047992.db2.gz LURRSIYYDNRGRE-GFCCVEGCSA-N 1 0 246.358 2.327 20 30 BEEDRO C=CCOc1ccc(CNCC2([NH3+])CCC2)cc1 ZINC000414888887 386106961 /nfs/dbraw/zinc/10/69/61/386106961.db2.gz RXHKKZCHCJWDLS-UHFFFAOYSA-N 1 0 246.354 2.222 20 30 BEEDRO COC1([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000414312840 386116261 /nfs/dbraw/zinc/11/62/61/386116261.db2.gz XBYOJMQKQKFSRA-SDDRHHMPSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](C)OC2(CCOCC2)C1 ZINC000334461332 386117372 /nfs/dbraw/zinc/11/73/72/386117372.db2.gz VXCZVOGHUYUTSU-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO CCn1ccc(C[NH2+][C@H]2CCC[C@H](C#N)C2)n1 ZINC000414210436 386065338 /nfs/dbraw/zinc/06/53/38/386065338.db2.gz OKKSJOYUTYXNBO-RYUDHWBXSA-N 1 0 232.331 2.075 20 30 BEEDRO C[C@@]1(CNc2ccc(C#N)cc2F)CCC[NH2+]C1 ZINC000129354303 386072906 /nfs/dbraw/zinc/07/29/06/386072906.db2.gz VNHIHPUUMCQFQA-CQSZACIVSA-N 1 0 247.317 2.499 20 30 BEEDRO C=CCOc1ccccc1CNC[C@H]([NH3+])C1CC1 ZINC000414892582 386153711 /nfs/dbraw/zinc/15/37/11/386153711.db2.gz JIQZWQJMOOQDJB-AWEZNQCLSA-N 1 0 246.354 2.078 20 30 BEEDRO CC(C)[N@H+](C)CCNCc1cc(C#N)cs1 ZINC000086500259 386160040 /nfs/dbraw/zinc/16/00/40/386160040.db2.gz WOAOIBDWWQIYSU-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO C[C@@H](CCC[NH3+])Nc1nccc(C#N)c1Cl ZINC000309313766 386126626 /nfs/dbraw/zinc/12/66/26/386126626.db2.gz MYEFZZMFOPMRMS-QMMMGPOBSA-N 1 0 238.722 2.146 20 30 BEEDRO C=CCOc1ccccc1CNC[C@H]([NH3+])CC ZINC000414988329 386129546 /nfs/dbraw/zinc/12/95/46/386129546.db2.gz ZQLSRYRJDXUSKD-CYBMUJFWSA-N 1 0 234.343 2.078 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnccc1OC ZINC000287495103 386129655 /nfs/dbraw/zinc/12/96/55/386129655.db2.gz XTMPJFAWKKQPFP-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@@H]1O ZINC000190064620 386143903 /nfs/dbraw/zinc/14/39/03/386143903.db2.gz QCHOQEGFYJCTCY-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@]1(C)CCC[N@H+](CCOCCC#N)C1 ZINC000339008698 386206268 /nfs/dbraw/zinc/20/62/68/386206268.db2.gz LQALHYAKUWTOEX-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000339009280 386206490 /nfs/dbraw/zinc/20/64/90/386206490.db2.gz FSXVZXBGYGAFLR-AWEZNQCLSA-N 1 0 239.359 2.082 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000347143762 386259522 /nfs/dbraw/zinc/25/95/22/386259522.db2.gz AOEPQYXRAYEUJC-GFCCVEGCSA-N 1 0 244.338 2.389 20 30 BEEDRO Cc1ccc(NC(=O)[C@@H](C)C#N)c(C[NH+](C)C)c1 ZINC000347093765 386247503 /nfs/dbraw/zinc/24/75/03/386247503.db2.gz BRMVVXMCDIQPJE-NSHDSACASA-N 1 0 245.326 2.155 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@]1(CCC)COC ZINC000339129530 386253826 /nfs/dbraw/zinc/25/38/26/386253826.db2.gz CXMYRGAYTJHAIA-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)[C@@H](C)O1 ZINC000347195173 386261347 /nfs/dbraw/zinc/26/13/47/386261347.db2.gz ZPPBUUHPJKBTHA-IJLUTSLNSA-N 1 0 224.348 2.424 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc(C#N)n2)C1 ZINC000267204755 386196954 /nfs/dbraw/zinc/19/69/54/386196954.db2.gz ARDJJRYHLQDZIF-WCQYABFASA-N 1 0 244.342 2.238 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C#N)cc2)C[C@H]1C ZINC000345170607 386307689 /nfs/dbraw/zinc/30/76/89/386307689.db2.gz IOFNTFLXOZOTNB-OLZOCXBDSA-N 1 0 243.354 2.477 20 30 BEEDRO C=CCN(CC)CC[NH+]1CCCCCC1 ZINC000347265161 386311213 /nfs/dbraw/zinc/31/12/13/386311213.db2.gz BBKKJMNUKXCJJI-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(F)c1 ZINC000320324258 386323694 /nfs/dbraw/zinc/32/36/94/386323694.db2.gz FFQDEPFNUPGMIE-ZDUSSCGKSA-N 1 0 223.291 2.242 20 30 BEEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347169584 386265825 /nfs/dbraw/zinc/26/58/25/386265825.db2.gz OSDIAHJUPKTITM-GXTWGEPZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)CCC(C)(C)C#N ZINC000347241900 386275681 /nfs/dbraw/zinc/27/56/81/386275681.db2.gz XQUUZGPLJSZYSO-GFCCVEGCSA-N 1 0 226.364 2.265 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]1CCC(C)(C)C#N ZINC000347235591 386276780 /nfs/dbraw/zinc/27/67/80/386276780.db2.gz SFDLIOBKYZYWEX-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc(CC)nc1 ZINC000414396601 386277639 /nfs/dbraw/zinc/27/76/39/386277639.db2.gz SFTMSDHJBZTLBQ-JTQLQIEISA-N 1 0 205.305 2.093 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1=O ZINC000280919656 386358463 /nfs/dbraw/zinc/35/84/63/386358463.db2.gz DBJQSLWICZWZIE-GXTWGEPZSA-N 1 0 244.338 2.124 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccnn1C ZINC000280912399 386359901 /nfs/dbraw/zinc/35/99/01/386359901.db2.gz SDVUBKSRXAKRLU-OBJOEFQTSA-N 1 0 249.358 2.052 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000319954756 386362226 /nfs/dbraw/zinc/36/22/26/386362226.db2.gz AFSNSVFQVVNTEZ-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)n[nH]c1C ZINC000280656835 386367071 /nfs/dbraw/zinc/36/70/71/386367071.db2.gz OSHUQZTZELEYGR-OCCSQVGLSA-N 1 0 249.358 2.097 20 30 BEEDRO CC[N@H+](CC[C@H]1CCCCO1)C[C@@H](C)C#N ZINC000347394971 386382805 /nfs/dbraw/zinc/38/28/05/386382805.db2.gz BRGMRJCLYOBYDU-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000347331709 386331021 /nfs/dbraw/zinc/33/10/21/386331021.db2.gz BGEYQVFEUSQRQT-AWEZNQCLSA-N 1 0 219.328 2.446 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1sc(C)nc1C ZINC000320430217 386425339 /nfs/dbraw/zinc/42/53/39/386425339.db2.gz HCJWUBBXTAAJSX-LLVKDONJSA-N 1 0 240.372 2.177 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000453360690 386478033 /nfs/dbraw/zinc/47/80/33/386478033.db2.gz PKFFZJATOFUAIA-WCQYABFASA-N 1 0 249.358 2.071 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351883 386491340 /nfs/dbraw/zinc/49/13/40/386491340.db2.gz SUCIYWVKAYHRIT-NOOOWODRSA-N 1 0 237.368 2.377 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)COC(C)(C)C ZINC000046342171 386513937 /nfs/dbraw/zinc/51/39/37/386513937.db2.gz FSIKXINGFVVBBA-LBPRGKRZSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1CCC(C)CC1 ZINC000320138809 386518852 /nfs/dbraw/zinc/51/88/52/386518852.db2.gz BCNUTFBHZJUIIP-BPCQOVAHSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)o1 ZINC000320147842 386522533 /nfs/dbraw/zinc/52/25/33/386522533.db2.gz CKNNAYJIMVZISK-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442710843 386522725 /nfs/dbraw/zinc/52/27/25/386522725.db2.gz QWOHZUQILDPFAJ-MGPQQGTHSA-N 1 0 235.375 2.000 20 30 BEEDRO CN1CC[N@H+](CCCC(C)(C)C#N)C(C)(C)C1 ZINC000347578822 386456737 /nfs/dbraw/zinc/45/67/37/386456737.db2.gz BKMJDGSFDYCNPX-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399228037 386462752 /nfs/dbraw/zinc/46/27/52/386462752.db2.gz OBPSHKWESJEOLG-CQSZACIVSA-N 1 0 246.354 2.249 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000124237250 386581129 /nfs/dbraw/zinc/58/11/29/386581129.db2.gz HDZSFAGRYATVJR-LLVKDONJSA-N 1 0 215.300 2.389 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000123060563 386538322 /nfs/dbraw/zinc/53/83/22/386538322.db2.gz FYUOTYAETDGPBT-RYUDHWBXSA-N 1 0 247.338 2.246 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CN)C1CCCC1 ZINC000415069398 386551152 /nfs/dbraw/zinc/55/11/52/386551152.db2.gz SLSSGTDNMLNUKO-AAEUAGOBSA-N 1 0 210.365 2.448 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)C1CCSCC1 ZINC000187544995 386558578 /nfs/dbraw/zinc/55/85/78/386558578.db2.gz ANEFGFSKRIRDEP-PWSUYJOCSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1(N(C)C)CC1 ZINC000417361041 386565184 /nfs/dbraw/zinc/56/51/84/386565184.db2.gz YEHBEMWAGJDPJJ-LBPRGKRZSA-N 1 0 210.365 2.415 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000266138565 386622209 /nfs/dbraw/zinc/62/22/09/386622209.db2.gz GIOHNSOROHNDGN-STQMWFEESA-N 1 0 234.299 2.198 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425554438 386628391 /nfs/dbraw/zinc/62/83/91/386628391.db2.gz WCVHBSAGIIXHBG-RYUDHWBXSA-N 1 0 234.347 2.339 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC000628314502 386647516 /nfs/dbraw/zinc/64/75/16/386647516.db2.gz CFRQIIZENYZYSQ-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)C(C)C ZINC000520390933 386663791 /nfs/dbraw/zinc/66/37/91/386663791.db2.gz PUEVZJXSQDKIHN-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000645012113 386669487 /nfs/dbraw/zinc/66/94/87/386669487.db2.gz RNJDBPRSMJYGPB-HOCLYGCPSA-N 1 0 245.366 2.324 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336648080 386675950 /nfs/dbraw/zinc/67/59/50/386675950.db2.gz CJEDICZISUHQGN-AVGNSLFASA-N 1 0 224.348 2.065 20 30 BEEDRO Cn1cc(C[NH2+]C2(C)CCCC2)cc1C#N ZINC000232314943 386678777 /nfs/dbraw/zinc/67/87/77/386678777.db2.gz WNFIOUCSOWPMSX-UHFFFAOYSA-N 1 0 217.316 2.319 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000647950817 386658200 /nfs/dbraw/zinc/65/82/00/386658200.db2.gz DYKQCUGKRVXKRD-CYBMUJFWSA-N 1 0 214.312 2.284 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCCO[C@@H](CF)C1 ZINC000414481820 386690127 /nfs/dbraw/zinc/69/01/27/386690127.db2.gz WQGFHLIFGGOXEK-LBPRGKRZSA-N 1 0 242.338 2.377 20 30 BEEDRO C[C@@H](CNc1ccc(C#N)cc1F)C[NH+](C)C ZINC000291912089 386692843 /nfs/dbraw/zinc/69/28/43/386692843.db2.gz QWDGFCRUOJTBFS-JTQLQIEISA-N 1 0 235.306 2.307 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccsc1 ZINC000645075036 386704184 /nfs/dbraw/zinc/70/41/84/386704184.db2.gz BIKAZXQNGZVBEK-UHFFFAOYSA-N 1 0 211.330 2.383 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000295971940 386705570 /nfs/dbraw/zinc/70/55/70/386705570.db2.gz NOWGPJLHLAELHS-CQSZACIVSA-N 1 0 214.312 2.284 20 30 BEEDRO C=CCOCC[NH+]1CCC(c2cccnc2)CC1 ZINC000645105900 386724565 /nfs/dbraw/zinc/72/45/65/386724565.db2.gz REENOQKODRTNBC-UHFFFAOYSA-N 1 0 246.354 2.464 20 30 BEEDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442825626 386728764 /nfs/dbraw/zinc/72/87/64/386728764.db2.gz IUURACUQINDACQ-XQQFMLRXSA-N 1 0 238.375 2.311 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824399 386751781 /nfs/dbraw/zinc/75/17/81/386751781.db2.gz SVXOBORIMPTPCA-CYBMUJFWSA-N 1 0 248.326 2.081 20 30 BEEDRO C=C(C)C[N@@H+](CCOC)Cc1cccnc1 ZINC000191108001 386752698 /nfs/dbraw/zinc/75/26/98/386752698.db2.gz MBFURWUREAAMAE-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C=CCOc1ccccc1CNC[C@H]1CCC[NH2+]1 ZINC000414843019 386757606 /nfs/dbraw/zinc/75/76/06/386757606.db2.gz JDEDTSQTPXXNPF-CQSZACIVSA-N 1 0 246.354 2.093 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192888540 386760211 /nfs/dbraw/zinc/76/02/11/386760211.db2.gz ZJXFIDJEIALBGX-ZDEQEGDKSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396497028 386766461 /nfs/dbraw/zinc/76/64/61/386766461.db2.gz ONYBDYFJJWMTFS-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCOc1cccc(C[NH2+]CCN2CCC2)c1 ZINC000344877428 386790768 /nfs/dbraw/zinc/79/07/68/386790768.db2.gz FPDGZTCTXIIVQG-UHFFFAOYSA-N 1 0 246.354 2.047 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000020361803 386793574 /nfs/dbraw/zinc/79/35/74/386793574.db2.gz UZWQRNPTKSMINY-CQSZACIVSA-N 1 0 216.328 2.037 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)OC(C)(C)C ZINC000125237747 386774546 /nfs/dbraw/zinc/77/45/46/386774546.db2.gz HOLKNLRDFKZSPR-UHFFFAOYSA-N 1 0 228.336 2.019 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1nccn1C)C1CC1 ZINC000125317570 386775664 /nfs/dbraw/zinc/77/56/64/386775664.db2.gz NQVWDHKHFDNGAI-LBPRGKRZSA-N 1 0 219.332 2.255 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@H](C)C2)cc1C#N ZINC000087833202 386783260 /nfs/dbraw/zinc/78/32/60/386783260.db2.gz RAVDPXYTGPCOCN-NSHDSACASA-N 1 0 230.311 2.409 20 30 BEEDRO CCOC1CC(CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442861368 386785450 /nfs/dbraw/zinc/78/54/50/386785450.db2.gz XUKZAIBUOJIGOE-YIFLHPOLSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C#N)nc1 ZINC000218082858 386807441 /nfs/dbraw/zinc/80/74/41/386807441.db2.gz CUSNRMQCTBAQKF-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)O ZINC000395291862 386807545 /nfs/dbraw/zinc/80/75/45/386807545.db2.gz ZHEFBGZHIFZLGQ-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO CC1(C)C[C@H](O)CC[N@H+](CCCCC#N)C1 ZINC000395302988 386808072 /nfs/dbraw/zinc/80/80/72/386808072.db2.gz BKRYBULAAMKJGN-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193007394 386809673 /nfs/dbraw/zinc/80/96/73/386809673.db2.gz RCSOSRGGVHQYNT-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000330679874 386827190 /nfs/dbraw/zinc/82/71/90/386827190.db2.gz YDWKGHULQSOZBB-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425342497 386843511 /nfs/dbraw/zinc/84/35/11/386843511.db2.gz AOIITYRFSFDWMS-LPWJVIDDSA-N 1 0 241.400 2.451 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395492715 386845618 /nfs/dbraw/zinc/84/56/18/386845618.db2.gz ZFJJKSGGIJWZQT-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C#N)C1(C)C ZINC000229815155 386847534 /nfs/dbraw/zinc/84/75/34/386847534.db2.gz AVLPYRDEKABBME-KGLIPLIRSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191308017 386849073 /nfs/dbraw/zinc/84/90/73/386849073.db2.gz BCZSMSVAYQHBAK-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC[N@@H+](Cc1cnn(CC)c1)C1CCCC1 ZINC000093819729 386850409 /nfs/dbraw/zinc/85/04/09/386850409.db2.gz HPARDRFVOOCNKA-UHFFFAOYSA-N 1 0 231.343 2.281 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000645187059 386850484 /nfs/dbraw/zinc/85/04/84/386850484.db2.gz WVKJHXFTTAUMKB-HUUCEWRRSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000638523749 386855809 /nfs/dbraw/zinc/85/58/09/386855809.db2.gz GGPCCXSFDNSHRE-AAEUAGOBSA-N 1 0 240.416 2.120 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638523765 386857345 /nfs/dbraw/zinc/85/73/45/386857345.db2.gz GUWKNPGSGIJJBA-BTTYYORXSA-N 1 0 234.387 2.273 20 30 BEEDRO CC#CCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000425345730 386858067 /nfs/dbraw/zinc/85/80/67/386858067.db2.gz JWAGAEBCHYYCQT-KPWCQOOUSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H]1CC=CCC1 ZINC000123453037 533201569 /nfs/dbraw/zinc/20/15/69/533201569.db2.gz KCOYOMSAUQHKLO-GFCCVEGCSA-N 1 0 209.358 2.299 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425364238 386973241 /nfs/dbraw/zinc/97/32/41/386973241.db2.gz XGYISHLCMRWHGF-NXEZZACHSA-N 1 0 217.403 2.389 20 30 BEEDRO CCN(CC)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192595423 386996060 /nfs/dbraw/zinc/99/60/60/386996060.db2.gz ZSQSCUSAHTXPDS-OLZOCXBDSA-N 1 0 223.364 2.000 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000334928927 387004147 /nfs/dbraw/zinc/00/41/47/387004147.db2.gz KKIIOVZFRKKSFB-NEPJUHHUSA-N 1 0 217.316 2.352 20 30 BEEDRO CS[C@@H]1CC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000425380896 387031093 /nfs/dbraw/zinc/03/10/93/387031093.db2.gz LWYHXWBXOXULPQ-NXEZZACHSA-N 1 0 210.346 2.164 20 30 BEEDRO N#CC1(C[N@H+]2CC[C@H](O)CC23CCC3)CCC1 ZINC000334965310 387046303 /nfs/dbraw/zinc/04/63/03/387046303.db2.gz AGMXEBWYXVFCNE-LBPRGKRZSA-N 1 0 234.343 2.060 20 30 BEEDRO Cc1cc(NC[C@@]2(C)CCCS2)c(C#N)cn1 ZINC000399581195 387027637 /nfs/dbraw/zinc/02/76/37/387027637.db2.gz LRCVLXSSVJUDTG-CYBMUJFWSA-N 1 0 247.367 2.381 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000186256733 387082664 /nfs/dbraw/zinc/08/26/64/387082664.db2.gz YMXUCVGSZIDSTF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CCC1(CNc2cc(C)ncc2C#N)CC1 ZINC000399446851 387101805 /nfs/dbraw/zinc/10/18/05/387101805.db2.gz LZFUQKFPYLEYNW-UHFFFAOYSA-N 1 0 215.300 2.286 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1ccc(C#N)cc1F ZINC000269423471 387110189 /nfs/dbraw/zinc/11/01/89/387110189.db2.gz MUPDJSZPXVOYKE-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397236384 387110444 /nfs/dbraw/zinc/11/04/44/387110444.db2.gz PGLCPMRPKLCHIS-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](NC[C@@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315549 387155952 /nfs/dbraw/zinc/15/59/52/387155952.db2.gz IZBYOWGJLASTBK-LKFCYVNXSA-N 1 0 247.317 2.085 20 30 BEEDRO C=CCCCC[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000571732520 387158059 /nfs/dbraw/zinc/15/80/59/387158059.db2.gz BJRDYDMYTNLCSH-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCCC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000571732518 387158127 /nfs/dbraw/zinc/15/81/27/387158127.db2.gz BJRDYDMYTNLCSH-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186986836 387160053 /nfs/dbraw/zinc/16/00/53/387160053.db2.gz HZNVAQNKJIAJAN-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO COC1CCC([NH2+]CC2(C#N)CCC2)CC1 ZINC000418142232 387163962 /nfs/dbraw/zinc/16/39/62/387163962.db2.gz MJTIRKCWRLHEKL-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[N@@H+]1CCC[C@H](CNc2cccc(C#N)n2)C1 ZINC000152232954 387171752 /nfs/dbraw/zinc/17/17/52/387171752.db2.gz YJZWCVXNUKJFNV-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cccc(O)c1 ZINC000321419755 387172138 /nfs/dbraw/zinc/17/21/38/387172138.db2.gz KIKIIAQTPPAHCX-DGCLKSJQSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cccc(O)c1 ZINC000321419758 387172937 /nfs/dbraw/zinc/17/29/37/387172937.db2.gz KIKIIAQTPPAHCX-YPMHNXCESA-N 1 0 235.327 2.370 20 30 BEEDRO C=CC[C@H](CC)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418153378 387174716 /nfs/dbraw/zinc/17/47/16/387174716.db2.gz WFFAFILNMOOTFJ-RYUDHWBXSA-N 1 0 241.379 2.158 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+]CC2(C#N)CCC2)CCO1 ZINC000418137158 387175303 /nfs/dbraw/zinc/17/53/03/387175303.db2.gz DHXRKKQPQYOBRW-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)N[C@H](C[NH3+])CCCC ZINC000418155763 387176685 /nfs/dbraw/zinc/17/66/85/387176685.db2.gz ZXJHHPVLXXIQFZ-NEPJUHHUSA-N 1 0 241.379 2.158 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCCO1 ZINC000229672411 387192221 /nfs/dbraw/zinc/19/22/21/387192221.db2.gz HNJYKPBRQFPDQY-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO COC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCC1 ZINC000193274567 387205122 /nfs/dbraw/zinc/20/51/22/387205122.db2.gz YQFIWDJYHYCCHA-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](O)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000230072234 387231082 /nfs/dbraw/zinc/23/10/82/387231082.db2.gz HHPVFEWPFAARRQ-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000321449407 387194535 /nfs/dbraw/zinc/19/45/35/387194535.db2.gz NTIQEMFCYDUPAK-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230352642 387263245 /nfs/dbraw/zinc/26/32/45/387263245.db2.gz SGPOXPDBWHLACN-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCO[C@@H]1CCCCO1 ZINC000572253764 387287280 /nfs/dbraw/zinc/28/72/80/387287280.db2.gz AORBOTTXDSLXNW-CHWSQXEVSA-N 1 0 240.347 2.202 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCCCN1)C1CC1 ZINC000643502196 387356507 /nfs/dbraw/zinc/35/65/07/387356507.db2.gz ZNZWNVAPTZSMCP-ZIAGYGMSSA-N 1 0 222.376 2.463 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCCN1 ZINC000643502026 387357236 /nfs/dbraw/zinc/35/72/36/387357236.db2.gz WHTYJUCUCMMXNM-YNEHKIRRSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCCN1)C1CC1 ZINC000643502193 387357467 /nfs/dbraw/zinc/35/74/67/387357467.db2.gz ZNZWNVAPTZSMCP-KBPBESRZSA-N 1 0 222.376 2.463 20 30 BEEDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191208371 387353881 /nfs/dbraw/zinc/35/38/81/387353881.db2.gz GSBDLROTBPVBKJ-LLVKDONJSA-N 1 0 249.358 2.190 20 30 BEEDRO C#CC[N@H+](CC)CCOc1cccc(OC)c1 ZINC000269778896 387424234 /nfs/dbraw/zinc/42/42/34/387424234.db2.gz NWFVXCAZGWGONR-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO C[C@H]1COCCC[N@@H+]1CCCC(C)(C)C#N ZINC000389803719 387427155 /nfs/dbraw/zinc/42/71/55/387427155.db2.gz UFMMZEGVGYZJEG-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCN(C(=O)c1ccc([C@@H](C)[NH3+])cc1)C1CC1 ZINC000423877130 387442639 /nfs/dbraw/zinc/44/26/39/387442639.db2.gz CWADMWWMLOZRBD-LLVKDONJSA-N 1 0 244.338 2.497 20 30 BEEDRO C=C(C)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271281725 387442629 /nfs/dbraw/zinc/44/26/29/387442629.db2.gz ABOJFVGOOGRAEB-UHFFFAOYSA-N 1 0 245.322 2.407 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2c(c1)ncn2C ZINC000271724956 387447405 /nfs/dbraw/zinc/44/74/05/387447405.db2.gz LCHSTFUCTQMDRA-UHFFFAOYSA-N 1 0 227.311 2.028 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000273362458 387454725 /nfs/dbraw/zinc/45/47/25/387454725.db2.gz ATUXBCDQSCBTQM-MRXNPFEDSA-N 1 0 243.350 2.343 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191417320 387389068 /nfs/dbraw/zinc/38/90/68/387389068.db2.gz CYOGDPBDQFPIHO-LBPRGKRZSA-N 1 0 249.383 2.224 20 30 BEEDRO C=C1CCN(CC[NH+]2CCC(=C)CC2)CC1 ZINC000265165366 387395351 /nfs/dbraw/zinc/39/53/51/387395351.db2.gz XCOGLDYBLNKVET-UHFFFAOYSA-N 1 0 220.360 2.290 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H](O)c1cccc(Cl)c1 ZINC000266508219 387404360 /nfs/dbraw/zinc/40/43/60/387404360.db2.gz AYIHSTQUKFVYDR-CYBMUJFWSA-N 1 0 237.730 2.329 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)CC1(C)COC1 ZINC000441241368 387411388 /nfs/dbraw/zinc/41/13/88/387411388.db2.gz DHGBQCGXRNAXMV-UHFFFAOYSA-N 1 0 230.311 2.027 20 30 BEEDRO C=C(Cl)CN(C)CCc1ccccn1 ZINC000267992221 387411838 /nfs/dbraw/zinc/41/18/38/387411838.db2.gz KXIYMVMBHGPSCV-UHFFFAOYSA-N 1 0 210.708 2.308 20 30 BEEDRO CO[C@H]1CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000269650981 387420497 /nfs/dbraw/zinc/42/04/97/387420497.db2.gz VEVNNGLSRFFWMN-AWEZNQCLSA-N 1 0 249.741 2.412 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000648510089 387493624 /nfs/dbraw/zinc/49/36/24/387493624.db2.gz UCMUOVSSQQHANL-NSHDSACASA-N 1 0 209.289 2.003 20 30 BEEDRO CC[C@@H](C[NH+]1CCC(CC#N)CC1)OC ZINC000397162349 387542815 /nfs/dbraw/zinc/54/28/15/387542815.db2.gz WFRATCCRTDBGCO-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC([NH3+])(CC)CNc1nc(C)ccc1C#N ZINC000130065676 387499569 /nfs/dbraw/zinc/49/95/69/387499569.db2.gz UQWIIEYRJFYQIK-UHFFFAOYSA-N 1 0 232.331 2.191 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346128105 387500608 /nfs/dbraw/zinc/50/06/08/387500608.db2.gz JAIHGUCVTKXHSS-NXEZZACHSA-N 1 0 236.290 2.383 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1ccncn1 ZINC000395886866 387501874 /nfs/dbraw/zinc/50/18/74/387501874.db2.gz DVXYADHHMDWJFX-SNVBAGLBSA-N 1 0 223.345 2.046 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)C(C)(C)O ZINC000292915940 387507658 /nfs/dbraw/zinc/50/76/58/387507658.db2.gz FTRPEKYNIHMGQI-ZDUSSCGKSA-N 1 0 232.327 2.197 20 30 BEEDRO COc1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1C#N ZINC000292953429 387509786 /nfs/dbraw/zinc/50/97/86/387509786.db2.gz IWWVEZKENCDEKN-MNOVXSKESA-N 1 0 230.311 2.407 20 30 BEEDRO C[C@@H]([NH2+]CCN1CCC1)c1ccc(C#N)c(F)c1 ZINC000346204027 387510756 /nfs/dbraw/zinc/51/07/56/387510756.db2.gz SHGJKGWJGLVXQJ-LLVKDONJSA-N 1 0 247.317 2.054 20 30 BEEDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(C#N)c(F)c1 ZINC000346216336 387513177 /nfs/dbraw/zinc/51/31/77/387513177.db2.gz SSTVLRLXSYJMFW-JTQLQIEISA-N 1 0 248.301 2.263 20 30 BEEDRO N#Cc1ccc(CN[C@@H]2CCCc3c[nH]nc32)o1 ZINC000268855297 387524692 /nfs/dbraw/zinc/52/46/92/387524692.db2.gz QSRCMXHUCJWXDK-GFCCVEGCSA-N 1 0 242.282 2.042 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293553185 387526952 /nfs/dbraw/zinc/52/69/52/387526952.db2.gz ZFFUBSFVKZDWIF-QWRGUYRKSA-N 1 0 230.311 2.407 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192779518 387533835 /nfs/dbraw/zinc/53/38/35/387533835.db2.gz ATVYIKGVJFEKTN-RYUDHWBXSA-N 1 0 224.348 2.209 20 30 BEEDRO COCCCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192780591 387534912 /nfs/dbraw/zinc/53/49/12/387534912.db2.gz PDQIPGKAKCQPPK-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(C(=O)OC)c1)C1CC1 ZINC000274230633 387465412 /nfs/dbraw/zinc/46/54/12/387465412.db2.gz WPJLVCJMSJYEPL-UHFFFAOYSA-N 1 0 243.306 2.071 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(COC)c1)C1CC1 ZINC000274205464 387465693 /nfs/dbraw/zinc/46/56/93/387465693.db2.gz SDIIEZNEKKKECF-UHFFFAOYSA-N 1 0 229.323 2.431 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCNC1CC1)C1CC1 ZINC000643507241 387474906 /nfs/dbraw/zinc/47/49/06/387474906.db2.gz WZTSJNVJHBYUET-CYBMUJFWSA-N 1 0 208.349 2.073 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000274414219 387477509 /nfs/dbraw/zinc/47/75/09/387477509.db2.gz FGXFQQVRJQROFE-UHFFFAOYSA-N 1 0 249.358 2.162 20 30 BEEDRO C=CCCCC(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000424079343 387480930 /nfs/dbraw/zinc/48/09/30/387480930.db2.gz UGAMZXBUSAOLNC-AGIUHOORSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000274540142 387483488 /nfs/dbraw/zinc/48/34/88/387483488.db2.gz UARXIEQPGUFRLA-CYBMUJFWSA-N 1 0 232.327 2.159 20 30 BEEDRO CCN(C(=O)[C@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424085779 387485087 /nfs/dbraw/zinc/48/50/87/387485087.db2.gz ZRESVSIMWFBGQY-CYBMUJFWSA-N 1 0 245.326 2.061 20 30 BEEDRO CC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292125409 387489571 /nfs/dbraw/zinc/48/95/71/387489571.db2.gz IGNFIBIRSXAXOJ-DGCLKSJQSA-N 1 0 245.326 2.205 20 30 BEEDRO CCC[C@H](C[NH2+]Cc1ccc(C#N)cc1)OC ZINC000293760162 387598898 /nfs/dbraw/zinc/59/88/98/387598898.db2.gz UXNMXKUFEXYVJV-CQSZACIVSA-N 1 0 232.327 2.463 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000430415652 387617068 /nfs/dbraw/zinc/61/70/68/387617068.db2.gz PRFVNBWTQOEJHG-XQQFMLRXSA-N 1 0 238.375 2.365 20 30 BEEDRO C[C@@]1(F)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000347393381 387548686 /nfs/dbraw/zinc/54/86/86/387548686.db2.gz QTKGCYWRXNSDSQ-CQSZACIVSA-N 1 0 248.301 2.371 20 30 BEEDRO C[C@]1(F)CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000347393380 387551273 /nfs/dbraw/zinc/55/12/73/387551273.db2.gz QTKGCYWRXNSDSQ-AWEZNQCLSA-N 1 0 248.301 2.371 20 30 BEEDRO C=C(CC)C[NH+]1CCC(O)(C(F)F)CC1 ZINC000426260377 387552087 /nfs/dbraw/zinc/55/20/87/387552087.db2.gz GZGSPZNGPKUJFY-UHFFFAOYSA-N 1 0 219.275 2.045 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@]2(CC)CO)cc1 ZINC000278884756 387557245 /nfs/dbraw/zinc/55/72/45/387557245.db2.gz HGYRXZWGGIYJMV-INIZCTEOSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1 ZINC000278998736 387558570 /nfs/dbraw/zinc/55/85/70/387558570.db2.gz QYXLOXBPGKELPH-HNNXBMFYSA-N 1 0 229.323 2.136 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000278963282 387559299 /nfs/dbraw/zinc/55/92/99/387559299.db2.gz XAODMNPBMFIWRU-UHFFFAOYSA-N 1 0 231.343 2.106 20 30 BEEDRO COCC(C)(C)C[N@H+](CCC#N)CC1CC1 ZINC000426401010 387564852 /nfs/dbraw/zinc/56/48/52/387564852.db2.gz MDGPGWPTGJAWAM-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO CN(C)CC1([NH2+]Cc2ccc(C#N)cc2)CCC1 ZINC000282282501 387576649 /nfs/dbraw/zinc/57/66/49/387576649.db2.gz QNLUXUKZPOGQFR-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2c1OCO2)C(C)C ZINC000289314871 387578638 /nfs/dbraw/zinc/57/86/38/387578638.db2.gz FECYYZSOEVYPFZ-GFCCVEGCSA-N 1 0 231.295 2.163 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)C1CCCC1 ZINC000327996124 387636660 /nfs/dbraw/zinc/63/66/60/387636660.db2.gz MOJCPEXEQLSKQK-ZDUSSCGKSA-N 1 0 222.376 2.110 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC ZINC000430718431 387643229 /nfs/dbraw/zinc/64/32/29/387643229.db2.gz COVVYEQMWCEOGB-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430746633 387646128 /nfs/dbraw/zinc/64/61/28/387646128.db2.gz RGOXDMZLLUYMKY-SNVBAGLBSA-N 1 0 232.331 2.073 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000451896092 387673084 /nfs/dbraw/zinc/67/30/84/387673084.db2.gz UKDINEXWBWHWEY-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451896090 387673143 /nfs/dbraw/zinc/67/31/43/387673143.db2.gz UKDINEXWBWHWEY-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO OCCC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000452120240 387746904 /nfs/dbraw/zinc/74/69/04/387746904.db2.gz LXQCSHGAMYFZGV-INIZCTEOSA-N 1 0 243.350 2.133 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000163523693 387708959 /nfs/dbraw/zinc/70/89/59/387708959.db2.gz QEWIQXNYFRUQBB-GFCCVEGCSA-N 1 0 237.347 2.146 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CC2(C#N)CC2)CC1 ZINC000452107147 387739627 /nfs/dbraw/zinc/73/96/27/387739627.db2.gz SATRGGQUKYUMKS-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000431933696 387740678 /nfs/dbraw/zinc/74/06/78/387740678.db2.gz BXZVTSNWGJLJSQ-UONOGXRCSA-N 1 0 249.358 2.114 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC12CC2 ZINC000527909026 387763753 /nfs/dbraw/zinc/76/37/53/387763753.db2.gz HQPINQLELROCNQ-NNYUYHANSA-N 1 0 204.317 2.457 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353237331 387765490 /nfs/dbraw/zinc/76/54/90/387765490.db2.gz FCSNOPPDNMNMTA-DZGCQCFKSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@@H](CCO)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353256838 387770050 /nfs/dbraw/zinc/77/00/50/387770050.db2.gz PVDJTEYBBIZTFS-XHDPSFHLSA-N 1 0 244.338 2.154 20 30 BEEDRO COC[C@@H](C)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353249446 387772187 /nfs/dbraw/zinc/77/21/87/387772187.db2.gz DAESOBQSMOKPKE-YGRLFVJLSA-N 1 0 230.311 2.170 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353249444 387772648 /nfs/dbraw/zinc/77/26/48/387772648.db2.gz DAESOBQSMOKPKE-QMTHXVAHSA-N 1 0 230.311 2.170 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441647335 387773918 /nfs/dbraw/zinc/77/39/18/387773918.db2.gz NABOSAJBZJHEQZ-CHWSQXEVSA-N 1 0 209.333 2.311 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353412895 387790184 /nfs/dbraw/zinc/79/01/84/387790184.db2.gz NPCIJHMVPULSQJ-NHYWBVRUSA-N 1 0 244.338 2.418 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCOC2)C1 ZINC000527923178 387792184 /nfs/dbraw/zinc/79/21/84/387792184.db2.gz CLWBZLIUWVMJBF-JHJVBQTASA-N 1 0 222.332 2.085 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1F)CC1(O)CCC1 ZINC000353494552 387798719 /nfs/dbraw/zinc/79/87/19/387798719.db2.gz ZBZSXJMJQCEMOX-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C[N@H+](Cc1cc(C#N)ccc1F)CC1(O)CCC1 ZINC000353499687 387799115 /nfs/dbraw/zinc/79/91/15/387799115.db2.gz WWHHSIWBXWBMHJ-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1Cc2ccccc2NC1=O ZINC000528000752 387808622 /nfs/dbraw/zinc/80/86/22/387808622.db2.gz ODNJVSYUCYLLRO-BXUZGUMPSA-N 1 0 244.338 2.494 20 30 BEEDRO N#CCCCC[NH2+][C@@H](CO)C1CCCCC1 ZINC000309494116 387810765 /nfs/dbraw/zinc/81/07/65/387810765.db2.gz JPOXWCAUBBFLTE-ZDUSSCGKSA-N 1 0 224.348 2.211 20 30 BEEDRO CC(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442709966 387826904 /nfs/dbraw/zinc/82/69/04/387826904.db2.gz BMPZJHOQZIZQFE-KKUMJFAQSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H]([NH2+]CCc1cn[nH]c1)c1ccc(C#N)cc1 ZINC000353655557 387828641 /nfs/dbraw/zinc/82/86/41/387828641.db2.gz GXQVDXAWTOLLNB-NSHDSACASA-N 1 0 240.310 2.175 20 30 BEEDRO CCOc1ncccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442719689 387829345 /nfs/dbraw/zinc/82/93/45/387829345.db2.gz RYRKRWZMKPCYCH-WCQYABFASA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1cccc(C#N)c1 ZINC000295123153 387834870 /nfs/dbraw/zinc/83/48/70/387834870.db2.gz WWNCQKNIXXWIBR-NSHDSACASA-N 1 0 232.327 2.197 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000295111368 387836052 /nfs/dbraw/zinc/83/60/52/387836052.db2.gz LSIDLBGACDLLAU-ZDUSSCGKSA-N 1 0 234.299 2.010 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCNc2ccccn2)C1 ZINC000442774461 387836769 /nfs/dbraw/zinc/83/67/69/387836769.db2.gz ZEVPJGGNZCHTJM-CHWSQXEVSA-N 1 0 244.342 2.165 20 30 BEEDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442782957 387839940 /nfs/dbraw/zinc/83/99/40/387839940.db2.gz PEPPMYLQEMKHJI-QPSCCSFWSA-N 1 0 249.402 2.389 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000058016309 387840054 /nfs/dbraw/zinc/84/00/54/387840054.db2.gz MOKADLLRJBJGAJ-ZDUSSCGKSA-N 1 0 243.306 2.228 20 30 BEEDRO COC1CCC(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442789690 387840882 /nfs/dbraw/zinc/84/08/82/387840882.db2.gz KCHIDRNTMKUGSC-QPPOZKHWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000442792977 387841685 /nfs/dbraw/zinc/84/16/85/387841685.db2.gz AILOPUUSGWVHHE-SGMGOOAPSA-N 1 0 238.375 2.140 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CCCC3)C2)C1 ZINC000442792506 387842441 /nfs/dbraw/zinc/84/24/41/387842441.db2.gz QHKAHXLGCAIREW-MGPQQGTHSA-N 1 0 247.386 2.285 20 30 BEEDRO Cc1nccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442798403 387843545 /nfs/dbraw/zinc/84/35/45/387843545.db2.gz WXCOEMIHOKPWOQ-XBFCOCLRSA-N 1 0 246.358 2.110 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000442807623 387845228 /nfs/dbraw/zinc/84/52/28/387845228.db2.gz FICDPPGVHXOWKI-YRGRVCCFSA-N 1 0 238.375 2.140 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC000328065962 387845437 /nfs/dbraw/zinc/84/54/37/387845437.db2.gz COOTUUOUBHKODL-KBPBESRZSA-N 1 0 222.376 2.110 20 30 BEEDRO CCOCCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442818584 387847086 /nfs/dbraw/zinc/84/70/86/387847086.db2.gz OGAAICIKHURCBY-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCO[C@H]1C1CC1 ZINC000442832201 387847644 /nfs/dbraw/zinc/84/76/44/387847644.db2.gz AQPPCKIOMUVYDX-REBRKWNGSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C(CN[C@@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032128 387848899 /nfs/dbraw/zinc/84/88/99/387848899.db2.gz VSLKNOLFQHDNAQ-DZGCQCFKSA-N 1 0 230.355 2.430 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000433008233 387849230 /nfs/dbraw/zinc/84/92/30/387849230.db2.gz CJVIKUXNAKKBEK-IGQOVBAYSA-N 1 0 241.375 2.371 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)[C@H]1CCOC1 ZINC000442878837 387854931 /nfs/dbraw/zinc/85/49/31/387854931.db2.gz VEELECCOEPFBAU-RYSNWHEDSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(NC(C)=O)nc1 ZINC000433087578 387863033 /nfs/dbraw/zinc/86/30/33/387863033.db2.gz CWVXPFOHRQZPIG-NSHDSACASA-N 1 0 247.342 2.484 20 30 BEEDRO COc1cccc2c1CC[N@H+](CCCC#N)CC2 ZINC000193708790 387863489 /nfs/dbraw/zinc/86/34/89/387863489.db2.gz LOHIISZYBUVRLS-UHFFFAOYSA-N 1 0 244.338 2.400 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@@H]2CCCC[C@H]2C)nn1 ZINC000424172061 387863972 /nfs/dbraw/zinc/86/39/72/387863972.db2.gz NGJOHTXERDBSEE-OLZOCXBDSA-N 1 0 248.374 2.380 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cncn1C(C)C ZINC000424169590 387865584 /nfs/dbraw/zinc/86/55/84/387865584.db2.gz HDTYHQAPQMSYTN-KGLIPLIRSA-N 1 0 249.358 2.287 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000294690034 387818032 /nfs/dbraw/zinc/81/80/32/387818032.db2.gz CFPZEOBZXXGCCW-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C=CCN(C)Cc1nc(-c2ccccc2F)no1 ZINC000444629082 387895546 /nfs/dbraw/zinc/89/55/46/387895546.db2.gz JWVUPBVYRNCEQL-UHFFFAOYSA-N 1 0 247.273 2.494 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)C1CC1 ZINC000643537210 387875855 /nfs/dbraw/zinc/87/58/55/387875855.db2.gz AZQIYLCVPCUFIU-AVGNSLFASA-N 1 0 226.339 2.021 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC(C)(C)CCC#N ZINC000424176891 387887325 /nfs/dbraw/zinc/88/73/25/387887325.db2.gz SDKIFDOZPZGCMH-STQMWFEESA-N 1 0 236.359 2.497 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000448708013 387888505 /nfs/dbraw/zinc/88/85/05/387888505.db2.gz MFNFGRKDVDURIS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000444750179 387919207 /nfs/dbraw/zinc/91/92/07/387919207.db2.gz YSZWKHBVTZCVCM-KGLIPLIRSA-N 1 0 241.375 2.469 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N1CCC[C@H](C)C1)C(C)(C)C ZINC000262330689 533220542 /nfs/dbraw/zinc/22/05/42/533220542.db2.gz VJAFYWMXOSCDFX-NWDGAFQWSA-N 1 0 235.375 2.081 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528357569 387907967 /nfs/dbraw/zinc/90/79/67/387907967.db2.gz ARRBCRDFMVFOMC-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]([NH2+]C1CCOCC1)c1ccc(C#N)cc1 ZINC000036319411 387908484 /nfs/dbraw/zinc/90/84/84/387908484.db2.gz LWDFUJJURIWSJF-LLVKDONJSA-N 1 0 230.311 2.388 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CNCC[C@H]1C ZINC000423132021 387909948 /nfs/dbraw/zinc/90/99/48/387909948.db2.gz IROZAAFMCHMUQO-VXGBXAGGSA-N 1 0 210.365 2.176 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000452775108 387914313 /nfs/dbraw/zinc/91/43/13/387914313.db2.gz NNHJGZPNSLLNRB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000444712541 387914818 /nfs/dbraw/zinc/91/48/18/387914818.db2.gz ZIPASEMFBBNKAN-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO Cc1cc(C)c(C#N)c(NC[C@@H](C)C[NH+](C)C)n1 ZINC000291669867 177837482 /nfs/dbraw/zinc/83/74/82/177837482.db2.gz DKASTXLTGYUXNU-SNVBAGLBSA-N 1 0 246.358 2.180 20 30 BEEDRO C=CC[C@@H]1[N@@H+](CCCO)CCCC1(C)C ZINC000444787202 387925283 /nfs/dbraw/zinc/92/52/83/387925283.db2.gz QHTIXUGVTDLNLA-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@]1(O)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000179030148 387925960 /nfs/dbraw/zinc/92/59/60/387925960.db2.gz QFMQIMSSNOTFHB-AWEZNQCLSA-N 1 0 249.741 2.148 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000438347197 387926849 /nfs/dbraw/zinc/92/68/49/387926849.db2.gz NOFBVEBODBHPLD-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1nccnc1C ZINC000424292507 387955050 /nfs/dbraw/zinc/95/50/50/387955050.db2.gz GXJQBPSFOPNNIA-AVGNSLFASA-N 1 0 247.342 2.027 20 30 BEEDRO C=C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645801015 387938241 /nfs/dbraw/zinc/93/82/41/387938241.db2.gz HGMBYCFGOSBTQS-CYBMUJFWSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000321052824 387939322 /nfs/dbraw/zinc/93/93/22/387939322.db2.gz WCNCKSCJMGXBLY-PWSUYJOCSA-N 1 0 238.306 2.198 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](CO)[C@H]1C ZINC001645445344 1172667591 /nfs/dbraw/zinc/66/75/91/1172667591.db2.gz PQEZVDBGUWCHMD-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1Cc2ccccc2C1 ZINC000424301436 387962737 /nfs/dbraw/zinc/96/27/37/387962737.db2.gz VLPAGFAUHLBAKE-HOCLYGCPSA-N 1 0 243.350 2.335 20 30 BEEDRO COC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000424316747 387967687 /nfs/dbraw/zinc/96/76/87/387967687.db2.gz BIGMTPFHENUDLL-YUTCNCBUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424319760 387969012 /nfs/dbraw/zinc/96/90/12/387969012.db2.gz HETUQOAGYYKBMW-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](CC[C@@H](C)O)Cc1ccc(OC)cc1 ZINC000438980965 387969872 /nfs/dbraw/zinc/96/98/72/387969872.db2.gz SRMDGTYWDWBGBA-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@@H]1C(=O)OC ZINC000194359503 387981125 /nfs/dbraw/zinc/98/11/25/387981125.db2.gz DARCFJFWSAKAKH-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO CC(C)[C@@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424327110 387973161 /nfs/dbraw/zinc/97/31/61/387973161.db2.gz MOQZVPCIYRJAEB-BFHYXJOUSA-N 1 0 246.358 2.190 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CCCNC1)C1CC1 ZINC000423192939 387978225 /nfs/dbraw/zinc/97/82/25/387978225.db2.gz QIODBAYCVPYMDL-QWHCGFSZSA-N 1 0 208.349 2.073 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000308534614 135079634 /nfs/dbraw/zinc/07/96/34/135079634.db2.gz CZUXPQICGYYZJI-HTQZYQBOSA-N 1 0 206.211 2.221 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ccns1 ZINC001645453385 1172669662 /nfs/dbraw/zinc/66/96/62/1172669662.db2.gz KMXVBXLKAGPROB-UHFFFAOYSA-N 1 0 239.388 2.083 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)c1ccncc1 ZINC000453160837 387999385 /nfs/dbraw/zinc/99/93/85/387999385.db2.gz IBSPJTWDGXBHIL-OCCSQVGLSA-N 1 0 234.343 2.307 20 30 BEEDRO C=CC[C@@H](C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423221350 388002008 /nfs/dbraw/zinc/00/20/08/388002008.db2.gz ZLYQKRGYLZLMCM-MNOVXSKESA-N 1 0 232.327 2.401 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439781014 388020090 /nfs/dbraw/zinc/02/00/90/388020090.db2.gz IPXWNNLQHKBDCV-WCQYABFASA-N 1 0 236.359 2.084 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H](N)c2ccccc2)C1 ZINC000423248429 388032176 /nfs/dbraw/zinc/03/21/76/388032176.db2.gz RTVZPVKQHIOONB-YUELXQCFSA-N 1 0 243.354 2.358 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453289841 388035332 /nfs/dbraw/zinc/03/53/32/388035332.db2.gz JFVIIJCVCJFFHA-MRLBHPIUSA-N 1 0 249.402 2.387 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000453311198 388042747 /nfs/dbraw/zinc/04/27/47/388042747.db2.gz RYFNGDFSMVJUCF-NSHDSACASA-N 1 0 219.332 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000453253985 388026811 /nfs/dbraw/zinc/02/68/11/388026811.db2.gz OOOJCJBMVACRBF-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)c1ccncc1 ZINC000453363260 388060292 /nfs/dbraw/zinc/06/02/92/388060292.db2.gz QSXKIGKEMGLZPP-ZIAGYGMSSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC1(C[NH2+][C@@H](C)CC(=O)NC)CCCC1 ZINC000453369061 388061394 /nfs/dbraw/zinc/06/13/94/388061394.db2.gz MYWGKCLMQHAMPF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000453377639 388064267 /nfs/dbraw/zinc/06/42/67/388064267.db2.gz JELVUBDGTYUZOC-KBPBESRZSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](O)C1CCC1)C1CC1 ZINC000453377640 388064669 /nfs/dbraw/zinc/06/46/69/388064669.db2.gz JELVUBDGTYUZOC-KGLIPLIRSA-N 1 0 223.360 2.482 20 30 BEEDRO COCC#CC[NH2+]C1(c2ccccc2C)CC1 ZINC000645980495 388114921 /nfs/dbraw/zinc/11/49/21/388114921.db2.gz MFJURQMYIHWGOP-UHFFFAOYSA-N 1 0 229.323 2.224 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2occc21 ZINC000447586209 388081052 /nfs/dbraw/zinc/08/10/52/388081052.db2.gz MTQRDKXHOGAMTQ-WCQYABFASA-N 1 0 235.327 2.431 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000448846972 388115334 /nfs/dbraw/zinc/11/53/34/388115334.db2.gz SMKOEWLJCKMMBC-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCNc1nc(C)nc2c1CCCC2 ZINC000447811256 388093859 /nfs/dbraw/zinc/09/38/59/388093859.db2.gz NDVOZYLFFXGJQS-UHFFFAOYSA-N 1 0 231.343 2.464 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cn(C)nc1C ZINC000453335705 388050359 /nfs/dbraw/zinc/05/03/59/388050359.db2.gz FOYKAVDOWYMQOR-HONMWMINSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCc1ncn(C)n1 ZINC000449195277 388156059 /nfs/dbraw/zinc/15/60/59/388156059.db2.gz QNXOLRGFHHYHGP-LBPRGKRZSA-N 1 0 236.363 2.082 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCc1ncn(C)n1 ZINC000449195276 388156502 /nfs/dbraw/zinc/15/65/02/388156502.db2.gz QNXOLRGFHHYHGP-GFCCVEGCSA-N 1 0 236.363 2.082 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(C)c1F ZINC000449198893 388156873 /nfs/dbraw/zinc/15/68/73/388156873.db2.gz AIGBRKRTZJPBLE-LBPRGKRZSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CCCOCC[NH2+]C1CCC(COC)CC1 ZINC000449202396 388157039 /nfs/dbraw/zinc/15/70/39/388157039.db2.gz GBTNMTPJVNUGLI-UHFFFAOYSA-N 1 0 241.375 2.374 20 30 BEEDRO CC[C@@](C)(CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449217756 388158267 /nfs/dbraw/zinc/15/82/67/388158267.db2.gz BOMRLPUGQJZIRZ-BPCQOVAHSA-N 1 0 224.348 2.209 20 30 BEEDRO CC[C@](C)(CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449217757 388158640 /nfs/dbraw/zinc/15/86/40/388158640.db2.gz BOMRLPUGQJZIRZ-WXRRBKDZSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C)cc1OC ZINC000449236740 388160253 /nfs/dbraw/zinc/16/02/53/388160253.db2.gz LDLULWLIHSCWQZ-CYBMUJFWSA-N 1 0 235.327 2.030 20 30 BEEDRO CO[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449342993 388177144 /nfs/dbraw/zinc/17/71/44/388177144.db2.gz GZKKLRWZIAHBOT-MOKVOYLWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(C(=O)NCC)CCC1 ZINC000488495929 388182477 /nfs/dbraw/zinc/18/24/77/388182477.db2.gz JHIKQDAUAWPZAY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000454536513 388122350 /nfs/dbraw/zinc/12/23/50/388122350.db2.gz WSMIDQPSGPNHGP-DCAQKATOSA-N 1 0 248.330 2.153 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000449060257 388136611 /nfs/dbraw/zinc/13/66/11/388136611.db2.gz SELWWFLPTVGHRI-GFCCVEGCSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCCNC(C)=O ZINC000449068993 388139044 /nfs/dbraw/zinc/13/90/44/388139044.db2.gz DJTVCPXUKHJZMB-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1nncn1C ZINC000449071138 388139192 /nfs/dbraw/zinc/13/91/92/388139192.db2.gz AHRLBNUGHZNVKE-NSHDSACASA-N 1 0 222.336 2.040 20 30 BEEDRO C=CC[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000646085749 388139246 /nfs/dbraw/zinc/13/92/46/388139246.db2.gz QAYWJPLDYNIJFZ-GFCCVEGCSA-N 1 0 209.333 2.115 20 30 BEEDRO C=CCOCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646097516 388142511 /nfs/dbraw/zinc/14/25/11/388142511.db2.gz XBNMOTJMQNHVJA-ZDUSSCGKSA-N 1 0 239.359 2.080 20 30 BEEDRO CC#CCC[N@@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096889 388142538 /nfs/dbraw/zinc/14/25/38/388142538.db2.gz VGWLWTVGVCNYAJ-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000449131457 388146790 /nfs/dbraw/zinc/14/67/90/388146790.db2.gz MUHOSLYBCMXAFN-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592080142 388150605 /nfs/dbraw/zinc/15/06/05/388150605.db2.gz LGGJTFFQIDEHOQ-JTQLQIEISA-N 1 0 203.289 2.184 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCC[S@](C)=O ZINC000449164130 388150814 /nfs/dbraw/zinc/15/08/14/388150814.db2.gz YBDRAPXXQUENSK-WFASDCNBSA-N 1 0 231.405 2.480 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H](O)C(F)F ZINC000449168240 388151705 /nfs/dbraw/zinc/15/17/05/388151705.db2.gz CWURCEMVHOLDHO-NXEZZACHSA-N 1 0 221.291 2.337 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449167099 388152031 /nfs/dbraw/zinc/15/20/31/388152031.db2.gz HXWXBZMTYYCHJJ-MOKVOYLWSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCOCC[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646135585 388152134 /nfs/dbraw/zinc/15/21/34/388152134.db2.gz STHYXMGMJZQGBO-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000449183717 388153966 /nfs/dbraw/zinc/15/39/66/388153966.db2.gz LJBJMJOBXVATNQ-GXTWGEPZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@@H+](CC)[C@@H](COC)Cc1ccccc1 ZINC000490778784 388253738 /nfs/dbraw/zinc/25/37/38/388253738.db2.gz LDTPRDQZRYUGPH-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C#CC[N@H+](CC)CCCOc1cccc(C#N)c1 ZINC000490804478 388255661 /nfs/dbraw/zinc/25/56/61/388255661.db2.gz XIGPCSKCVOWNJT-UHFFFAOYSA-N 1 0 242.322 2.282 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)no1)C1CCCC1 ZINC000490818787 388255731 /nfs/dbraw/zinc/25/57/31/388255731.db2.gz BLKPYDMPEFYDBG-UHFFFAOYSA-N 1 0 218.300 2.361 20 30 BEEDRO C#CC[N@@H+](CC)Cc1c[nH]nc1-c1ccc(C)o1 ZINC000490892634 388257879 /nfs/dbraw/zinc/25/78/79/388257879.db2.gz NOLZHSOQPSKGBT-UHFFFAOYSA-N 1 0 243.310 2.433 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000192956448 388258492 /nfs/dbraw/zinc/25/84/92/388258492.db2.gz BOWXXMKYZUFBSQ-IGQOVBAYSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc2[nH]cnc2c1 ZINC000490898363 388258748 /nfs/dbraw/zinc/25/87/48/388258748.db2.gz JYRHFUHOOLLSNP-UHFFFAOYSA-N 1 0 213.284 2.018 20 30 BEEDRO C=CCCCCC[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000488974647 388200184 /nfs/dbraw/zinc/20/01/84/388200184.db2.gz BPDZZYLWCZVDFE-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446215 388208320 /nfs/dbraw/zinc/20/83/20/388208320.db2.gz OXFFFQYKYFDXOK-OSFYFWSMSA-N 1 0 247.386 2.141 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@@H]1CC1(C)C ZINC000489411365 388211720 /nfs/dbraw/zinc/21/17/20/388211720.db2.gz IQGJQNHWOSKFOG-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C=C[C@H]1CCCCN1Cc1ncnn1CC(C)C ZINC000489437860 388213393 /nfs/dbraw/zinc/21/33/93/388213393.db2.gz WUQBBAQGYVEIPQ-ZDUSSCGKSA-N 1 0 248.374 2.475 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C)nc1C(F)F ZINC000449474724 388214015 /nfs/dbraw/zinc/21/40/15/388214015.db2.gz JTWTWCIBVQAZJV-UHFFFAOYSA-N 1 0 229.274 2.414 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000449485576 388215831 /nfs/dbraw/zinc/21/58/31/388215831.db2.gz NYYIVUGUKIPJTM-UHFFFAOYSA-N 1 0 244.342 2.270 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnccc1N(C)C ZINC000449483673 388215983 /nfs/dbraw/zinc/21/59/83/388215983.db2.gz CAWNGAXJTCVKEE-UHFFFAOYSA-N 1 0 233.359 2.449 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000449517920 388222787 /nfs/dbraw/zinc/22/27/87/388222787.db2.gz HVXYTIUJMZMFKF-OLZOCXBDSA-N 1 0 249.358 2.071 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCC1CC1 ZINC000449522974 388223528 /nfs/dbraw/zinc/22/35/28/388223528.db2.gz WHPRPSWMUDCLIW-RTXFEEFZSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(CC)CNC(=O)c1ccccc1C[NH+](C)C ZINC000456811814 388223635 /nfs/dbraw/zinc/22/36/35/388223635.db2.gz KPSYQPHKSXCQIC-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000090450796 256563386 /nfs/dbraw/zinc/56/33/86/256563386.db2.gz JWDNLOLXEWLJGT-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H]1CC ZINC000449546245 388228715 /nfs/dbraw/zinc/22/87/15/388228715.db2.gz BDCNXKSHXVFAJY-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449546897 388228990 /nfs/dbraw/zinc/22/89/90/388228990.db2.gz FFGUDFVZHNFWIJ-FQUUOJAGSA-N 1 0 234.343 2.392 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@H]1CC ZINC000449546248 388229129 /nfs/dbraw/zinc/22/91/29/388229129.db2.gz BDCNXKSHXVFAJY-XQHKEYJVSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CSC[C@@H]1C ZINC000449549434 388229802 /nfs/dbraw/zinc/22/98/02/388229802.db2.gz XXNKKYSRVBPKCM-USZNOCQGSA-N 1 0 227.373 2.061 20 30 BEEDRO COCCCC[NH2+]Cc1cc(C#N)cs1 ZINC000086500189 256570071 /nfs/dbraw/zinc/57/00/71/256570071.db2.gz OKLNKUPXEZRHAV-UHFFFAOYSA-N 1 0 224.329 2.136 20 30 BEEDRO C=CCC1([NH2+]Cc2cnnn2C)CCCCC1 ZINC000449576365 388236682 /nfs/dbraw/zinc/23/66/82/388236682.db2.gz SBOPWXNBXGNFCD-UHFFFAOYSA-N 1 0 234.347 2.184 20 30 BEEDRO Cc1ncsc1C[NH2+]CCCCC#N ZINC000164496411 388239324 /nfs/dbraw/zinc/23/93/24/388239324.db2.gz ITFVEFIKLMRUSW-UHFFFAOYSA-N 1 0 209.318 2.235 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@](C)(O)COC ZINC000518476623 256576207 /nfs/dbraw/zinc/57/62/07/256576207.db2.gz XFJAZNNMEOUJRD-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459447537 388244683 /nfs/dbraw/zinc/24/46/83/388244683.db2.gz QQNFSUGDIPOXHN-UHFFFAOYSA-N 1 0 247.342 2.036 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000449629842 388245792 /nfs/dbraw/zinc/24/57/92/388245792.db2.gz LJBDJKNAPOAVAK-DJIHRAIXSA-N 1 0 222.332 2.082 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC[NH2+]C1CC1 ZINC000521370083 256519444 /nfs/dbraw/zinc/51/94/44/256519444.db2.gz KWHNQKJILGYAPI-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CC1(C)C ZINC000451555223 388281519 /nfs/dbraw/zinc/28/15/19/388281519.db2.gz HPLKKAJHDOMDLZ-FRRDWIJNSA-N 1 0 236.359 2.426 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000491289529 388283179 /nfs/dbraw/zinc/28/31/79/388283179.db2.gz ZOEDHJJRWQSJSV-LLVKDONJSA-N 1 0 233.286 2.352 20 30 BEEDRO CC(C)[C@@H](CO)[C@H]([NH2+]CC1(C#N)CC1)C(C)C ZINC000451604759 388283318 /nfs/dbraw/zinc/28/33/18/388283318.db2.gz YYOBIYPWPRIWLS-CHWSQXEVSA-N 1 0 238.375 2.169 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC)C(C)C ZINC000491297218 388283391 /nfs/dbraw/zinc/28/33/91/388283391.db2.gz PIWUSWRUASONTI-LOWDOPEQSA-N 1 0 241.400 2.143 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000451609317 388283996 /nfs/dbraw/zinc/28/39/96/388283996.db2.gz VRZLICFWAUESOW-HIFRSBDPSA-N 1 0 246.354 2.186 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ccc(C)cc1 ZINC000451609732 388284092 /nfs/dbraw/zinc/28/40/92/388284092.db2.gz QTOMKKOCZDDGJT-CABCVRRESA-N 1 0 231.339 2.471 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000451634898 388286493 /nfs/dbraw/zinc/28/64/93/388286493.db2.gz SEDXOPUFXWJKIX-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(F)(F)F ZINC000451672578 388289432 /nfs/dbraw/zinc/28/94/32/388289432.db2.gz IIRJAYLBDRENJW-BDAKNGLRSA-N 1 0 223.238 2.262 20 30 BEEDRO C#CC[N@H+](CC)CCOCC1CCCC1 ZINC000491372144 388289440 /nfs/dbraw/zinc/28/94/40/388289440.db2.gz HZORGZAVZAINQB-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1c(C)noc1C ZINC000451676084 388289460 /nfs/dbraw/zinc/28/94/60/388289460.db2.gz RTCGTZPPQMYBRV-OLZOCXBDSA-N 1 0 236.315 2.115 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451700172 388290360 /nfs/dbraw/zinc/29/03/60/388290360.db2.gz FVHWKDUWCGQRLQ-JHJVBQTASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000451701802 388290742 /nfs/dbraw/zinc/29/07/42/388290742.db2.gz RKXSZICPHLKCHW-MGPQQGTHSA-N 1 0 223.360 2.436 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451720126 388291360 /nfs/dbraw/zinc/29/13/60/388291360.db2.gz XTGXVNMMUVAIHH-MCIONIFRSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CC[N@H+](CC)CC/C=C/c1cncc(OC)c1 ZINC000491420385 388293387 /nfs/dbraw/zinc/29/33/87/388293387.db2.gz XPUJQTPASPADJS-SOFGYWHQSA-N 1 0 244.338 2.449 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1oc(CCC)nc1C ZINC000491442136 388295131 /nfs/dbraw/zinc/29/51/31/388295131.db2.gz ZXCKSGJDTPIJDS-SNVBAGLBSA-N 1 0 220.316 2.389 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000451780588 388295523 /nfs/dbraw/zinc/29/55/23/388295523.db2.gz NTRXGDPOUACLPX-QWHCGFSZSA-N 1 0 243.391 2.042 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1sc(C)nc1C ZINC000491454169 388295903 /nfs/dbraw/zinc/29/59/03/388295903.db2.gz WLKUYKTXCFOEHS-QMMMGPOBSA-N 1 0 208.330 2.213 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000491466002 388296551 /nfs/dbraw/zinc/29/65/51/388296551.db2.gz YRDBAMBVFHQUAF-DZGCQCFKSA-N 1 0 235.371 2.415 20 30 BEEDRO C#CC[N@@H+](CC)[C@@H](C)[C@H](O)c1ccccc1 ZINC000491475710 388297520 /nfs/dbraw/zinc/29/75/20/388297520.db2.gz ZFQPLSMREBGJJI-JSGCOSHPSA-N 1 0 217.312 2.064 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000491475673 388297582 /nfs/dbraw/zinc/29/75/82/388297582.db2.gz YTEFNRNZINOOFZ-GFCCVEGCSA-N 1 0 232.283 2.405 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccc(F)cc1C)C(C)C ZINC000491484211 388298117 /nfs/dbraw/zinc/29/81/17/388298117.db2.gz HXKHOYYRXDUERN-HUUCEWRRSA-N 1 0 249.329 2.415 20 30 BEEDRO CO[C@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854781 388301018 /nfs/dbraw/zinc/30/10/18/388301018.db2.gz RJDKKANWTWXJGP-RYUDHWBXSA-N 1 0 234.343 2.180 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)C12CCC2 ZINC000451854779 388301507 /nfs/dbraw/zinc/30/15/07/388301507.db2.gz RJDKKANWTWXJGP-NEPJUHHUSA-N 1 0 234.343 2.180 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCC(C)(C)CC(=O)OCC ZINC000491542835 388302364 /nfs/dbraw/zinc/30/23/64/388302364.db2.gz CMQKLPZQNCFYHR-GFCCVEGCSA-N 1 0 239.359 2.309 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@@H]1CCO[C@H](CC)C1 ZINC000491546719 388303177 /nfs/dbraw/zinc/30/31/77/388303177.db2.gz WZAJGXWNACEAMA-YNEHKIRRSA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000491553742 388303431 /nfs/dbraw/zinc/30/34/31/388303431.db2.gz CGYMHWCFBKDAQL-LLVKDONJSA-N 1 0 228.295 2.020 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000491565800 388303926 /nfs/dbraw/zinc/30/39/26/388303926.db2.gz CJBIGVNDWJXGME-SNVBAGLBSA-N 1 0 216.259 2.151 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000491617216 388304901 /nfs/dbraw/zinc/30/49/01/388304901.db2.gz BMUNRKOVHQUUJE-VXGBXAGGSA-N 1 0 232.327 2.023 20 30 BEEDRO N#Cc1csc(C[NH2+]CCN2CCCCC2)c1 ZINC000093492279 256637389 /nfs/dbraw/zinc/63/73/89/256637389.db2.gz IZRBPGSXYPBQRW-UHFFFAOYSA-N 1 0 249.383 2.195 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)Cc1cccc(OC)n1)C(C)C ZINC000491627551 388306040 /nfs/dbraw/zinc/30/60/40/388306040.db2.gz JROBAOBMVFTJCQ-TZMCWYRMSA-N 1 0 246.354 2.269 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)Cc1cccc(OC)n1)C(C)C ZINC000491627527 388306141 /nfs/dbraw/zinc/30/61/41/388306141.db2.gz JROBAOBMVFTJCQ-GXTWGEPZSA-N 1 0 246.354 2.269 20 30 BEEDRO C#CC[N@H+](Cc1ccc2c[nH]nc2c1)C1CC1 ZINC000491634888 388306983 /nfs/dbraw/zinc/30/69/83/388306983.db2.gz SEYONQKJASUGPE-UHFFFAOYSA-N 1 0 225.295 2.161 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000491657506 388308624 /nfs/dbraw/zinc/30/86/24/388308624.db2.gz GJKGCLGBAQAKMR-GFCCVEGCSA-N 1 0 227.311 2.075 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCOc1ccccc1OC ZINC000491656562 388308666 /nfs/dbraw/zinc/30/86/66/388308666.db2.gz TULMNQLQLCEVMN-LBPRGKRZSA-N 1 0 233.311 2.028 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000491672363 388309742 /nfs/dbraw/zinc/30/97/42/388309742.db2.gz YJWOOFDIZYHLHR-LBPRGKRZSA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000491698498 388312283 /nfs/dbraw/zinc/31/22/83/388312283.db2.gz CQCDXSFNUOTUHF-GFCCVEGCSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000491700787 388312546 /nfs/dbraw/zinc/31/25/46/388312546.db2.gz FFXOLQUWSGJFBS-GFCCVEGCSA-N 1 0 227.311 2.144 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)[C@H](C)c1ccccc1)C1CC1 ZINC000491700634 388312639 /nfs/dbraw/zinc/31/26/39/388312639.db2.gz GMOQNAPCRMHEQX-CZUORRHYSA-N 1 0 243.350 2.249 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)C1CCCCC1)C1CC1 ZINC000491702586 388312874 /nfs/dbraw/zinc/31/28/74/388312874.db2.gz RKZXISUINJQXPM-AWEZNQCLSA-N 1 0 221.344 2.025 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000491726592 388315434 /nfs/dbraw/zinc/31/54/34/388315434.db2.gz KDEWSTYYZWKDNP-ZDUSSCGKSA-N 1 0 243.354 2.135 20 30 BEEDRO C#C[C@@H]([NH2+]CCC(C)(C)C(=O)OC)C(C)(C)C ZINC000491730765 388315541 /nfs/dbraw/zinc/31/55/41/388315541.db2.gz DYCPMEFWPMXBFS-LLVKDONJSA-N 1 0 239.359 2.213 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000491735141 388316307 /nfs/dbraw/zinc/31/63/07/388316307.db2.gz CKGZNNFWYFVXPM-LLVKDONJSA-N 1 0 241.294 2.190 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cncn1CC)C(C)(C)C ZINC000491771862 388319436 /nfs/dbraw/zinc/31/94/36/388319436.db2.gz RNVJGDGLKZXNIB-LBPRGKRZSA-N 1 0 219.332 2.041 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc(F)c(F)c1 ZINC000491774475 388319627 /nfs/dbraw/zinc/31/96/27/388319627.db2.gz ACUCOGAABHBYMA-SNVBAGLBSA-N 1 0 223.266 2.461 20 30 BEEDRO C#C[C@H](C)N(C)Cc1csc(C2CC2)n1 ZINC000491777580 388320269 /nfs/dbraw/zinc/32/02/69/388320269.db2.gz GHGLZMYSZBPBFQ-VIFPVBQESA-N 1 0 220.341 2.474 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@@H]1CCC(F)(F)C1 ZINC000491782881 388320811 /nfs/dbraw/zinc/32/08/11/388320811.db2.gz JDWVHDRITZDGKN-GFCCVEGCSA-N 1 0 225.282 2.380 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000491806750 388322140 /nfs/dbraw/zinc/32/21/40/388322140.db2.gz RPIFDPAGCPZJSC-JTQLQIEISA-N 1 0 218.256 2.048 20 30 BEEDRO N#CC1(C[N@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000451346888 388264095 /nfs/dbraw/zinc/26/40/95/388264095.db2.gz SNDZULMCYFVRSH-MGPQQGTHSA-N 1 0 248.370 2.306 20 30 BEEDRO N#CC1(C[N@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451346886 388264169 /nfs/dbraw/zinc/26/41/69/388264169.db2.gz SNDZULMCYFVRSH-BFHYXJOUSA-N 1 0 248.370 2.306 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367630 388265721 /nfs/dbraw/zinc/26/57/21/388265721.db2.gz KHVIPCXNGCXUIZ-CWVYHPPDSA-N 1 0 247.382 2.458 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000491071209 388267880 /nfs/dbraw/zinc/26/78/80/388267880.db2.gz IMNTVAXNUPHITO-TZMCWYRMSA-N 1 0 217.312 2.064 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1conc1CC)C(C)(C)C ZINC000491071586 388268094 /nfs/dbraw/zinc/26/80/94/388268094.db2.gz LSGZRXBVOICYCP-GFCCVEGCSA-N 1 0 220.316 2.375 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000491101773 388269525 /nfs/dbraw/zinc/26/95/25/388269525.db2.gz KXZLIZIMXXZSGI-GXTWGEPZSA-N 1 0 217.312 2.328 20 30 BEEDRO C=C(C)CC[NH2+]C(C)(C)c1nnc2n1CCCC2 ZINC000451401109 388270008 /nfs/dbraw/zinc/27/00/08/388270008.db2.gz DEPPEZQUCLZMMG-UHFFFAOYSA-N 1 0 248.374 2.405 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCC)C(C)(C)C ZINC000451424741 388271906 /nfs/dbraw/zinc/27/19/06/388271906.db2.gz TYVOAGWOENDFFB-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000491192029 388276016 /nfs/dbraw/zinc/27/60/16/388276016.db2.gz KHJAYLMYGJUCQS-MFKMUULPSA-N 1 0 237.730 2.327 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H]1C1CC1 ZINC000491210719 388277755 /nfs/dbraw/zinc/27/77/55/388277755.db2.gz XXPLSRFLSCLXAY-HUUCEWRRSA-N 1 0 234.387 2.110 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000451495624 388277899 /nfs/dbraw/zinc/27/78/99/388277899.db2.gz JUKQVRPTOMLMCE-IJLUTSLNSA-N 1 0 207.317 2.110 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000491210720 388278000 /nfs/dbraw/zinc/27/80/00/388278000.db2.gz XXPLSRFLSCLXAY-LSDHHAIUSA-N 1 0 234.387 2.110 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C(C)(C)C1CC1 ZINC000491219421 388278219 /nfs/dbraw/zinc/27/82/19/388278219.db2.gz FFHMCEHHFAMMLI-ZDUSSCGKSA-N 1 0 249.354 2.063 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC2(C#N)CCC2)C[C@@H]1C ZINC000451544951 388280446 /nfs/dbraw/zinc/28/04/46/388280446.db2.gz QLQQGHIZSRNWOM-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000492438200 388344316 /nfs/dbraw/zinc/34/43/16/388344316.db2.gz SLKAXBBGAYIZNU-JTQLQIEISA-N 1 0 228.336 2.017 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ncn(C)n1 ZINC000275682902 388345290 /nfs/dbraw/zinc/34/52/90/388345290.db2.gz IFKNPKHDMLTZRO-HBNTYKKESA-N 1 0 222.336 2.066 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@H]1CCOC1 ZINC000162662159 388354947 /nfs/dbraw/zinc/35/49/47/388354947.db2.gz QBLLBXXLQZJNOU-PWSUYJOCSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1C[C@H](C)[NH+]1CCOc1ccc(C#N)cc1 ZINC000548424696 388359242 /nfs/dbraw/zinc/35/92/42/388359242.db2.gz JGQMVHVUGMXBKN-RYUDHWBXSA-N 1 0 230.311 2.420 20 30 BEEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)OCC1CC1 ZINC000572706092 388368759 /nfs/dbraw/zinc/36/87/59/388368759.db2.gz WQAKKCHCGOMSTR-CYBMUJFWSA-N 1 0 249.358 2.225 20 30 BEEDRO C#C[C@H](C)NCc1cc(F)c(F)cc1F ZINC000235503045 388370458 /nfs/dbraw/zinc/37/04/58/388370458.db2.gz IKQDRIANZFSYNB-ZETCQYMHSA-N 1 0 213.202 2.215 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595055215 388375834 /nfs/dbraw/zinc/37/58/34/388375834.db2.gz BBWWXSFRVVZFFT-IUODEOHRSA-N 1 0 244.338 2.115 20 30 BEEDRO CC[C@@H](COC)[NH2+]CCc1ccc(C#N)cc1 ZINC000595055595 388376376 /nfs/dbraw/zinc/37/63/76/388376376.db2.gz GZDUQBYVPPNNIW-AWEZNQCLSA-N 1 0 232.327 2.115 20 30 BEEDRO COC[C@@H]([NH2+]CCc1ccc(C#N)cc1)C(C)C ZINC000595055872 388376583 /nfs/dbraw/zinc/37/65/83/388376583.db2.gz LJBWHEAIMUVMRN-OAHLLOKOSA-N 1 0 246.354 2.361 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+]C[C@@H](C#N)CCC#N)OC ZINC000519690371 256656434 /nfs/dbraw/zinc/65/64/34/256656434.db2.gz GVPIKJMLSCFFQI-XQQFMLRXSA-N 1 0 237.347 2.081 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1c1cccc(F)c1C#N ZINC000549253426 388381280 /nfs/dbraw/zinc/38/12/80/388381280.db2.gz VIQFANHYVCDAAY-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[N@H+](CCNc1nc(C)ccc1C#N)C1CC1 ZINC000218012884 388386013 /nfs/dbraw/zinc/38/60/13/388386013.db2.gz HYDVBWOMHNRHHR-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC(C)C1([NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000293069675 388387078 /nfs/dbraw/zinc/38/70/78/388387078.db2.gz STOXLAZNCBCPCR-UHFFFAOYSA-N 1 0 217.316 2.175 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164543317 388392788 /nfs/dbraw/zinc/39/27/88/388392788.db2.gz HGMFLRISUCDPCU-FZMZJTMJSA-N 1 0 232.327 2.226 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164574012 388393600 /nfs/dbraw/zinc/39/36/00/388393600.db2.gz QZWITFFSAUUTTF-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164575387 388394013 /nfs/dbraw/zinc/39/40/13/388394013.db2.gz NTQRBVBRKNWVEV-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO CC(C)(C#N)C[NH2+]CC(C)(C)CCC#N ZINC000164682704 388396309 /nfs/dbraw/zinc/39/63/09/388396309.db2.gz BWXMEKKLIRAOSK-UHFFFAOYSA-N 1 0 207.321 2.456 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)CCO1 ZINC000164687705 388397320 /nfs/dbraw/zinc/39/73/20/388397320.db2.gz JNKDIBVYZQREMR-NEPJUHHUSA-N 1 0 224.348 2.329 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000520575105 256675946 /nfs/dbraw/zinc/67/59/46/256675946.db2.gz BSQYGNYDXHSDFH-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO CC(C)(O)CC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271760417 388401800 /nfs/dbraw/zinc/40/18/00/388401800.db2.gz HSBSWBXYZOBZTI-UHFFFAOYSA-N 1 0 244.338 2.298 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000175013007 388444900 /nfs/dbraw/zinc/44/49/00/388444900.db2.gz NMTULDXUELDDNO-NWDGAFQWSA-N 1 0 247.342 2.114 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccccn1 ZINC000393941701 388447251 /nfs/dbraw/zinc/44/72/51/388447251.db2.gz JNKXYDACPDYGBR-GRYCIOLGSA-N 1 0 215.300 2.424 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC000176955120 388467814 /nfs/dbraw/zinc/46/78/14/388467814.db2.gz CFGZLVSGPFDRJU-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000516622329 388408406 /nfs/dbraw/zinc/40/84/06/388408406.db2.gz HPIXUUNKWHEFNW-GFCCVEGCSA-N 1 0 236.359 2.134 20 30 BEEDRO C[C@H]1CCN(CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000524771338 388409508 /nfs/dbraw/zinc/40/95/08/388409508.db2.gz FRLVFQIRMXIQRS-ZDUSSCGKSA-N 1 0 237.391 2.248 20 30 BEEDRO CCN(C)CC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271939087 388413936 /nfs/dbraw/zinc/41/39/36/388413936.db2.gz LFOORNPZCHPIDC-LLVKDONJSA-N 1 0 249.333 2.300 20 30 BEEDRO CCOCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271972804 388417003 /nfs/dbraw/zinc/41/70/03/388417003.db2.gz WZJHNXQCWDGBQS-SNVBAGLBSA-N 1 0 236.290 2.384 20 30 BEEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCOCCC#N ZINC000339182744 388479339 /nfs/dbraw/zinc/47/93/39/388479339.db2.gz BZOZKKPCGSJWNH-NWDGAFQWSA-N 1 0 242.388 2.180 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H]2CCCN2C)ccc1C#N ZINC000443984386 388421574 /nfs/dbraw/zinc/42/15/74/388421574.db2.gz IXPLVXXKJQBKOU-OAHLLOKOSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@@H]2CCOC2)ccc1C#N ZINC000443996583 388424213 /nfs/dbraw/zinc/42/42/13/388424213.db2.gz UQUGFFFSXPIGQX-CYBMUJFWSA-N 1 0 244.338 2.383 20 30 BEEDRO CC[N@H+](C[C@H](C)O)[C@H](C)c1ccc(C#N)cc1 ZINC000245910493 388433585 /nfs/dbraw/zinc/43/35/85/388433585.db2.gz VNUWJRGDNKWOLX-NWDGAFQWSA-N 1 0 232.327 2.322 20 30 BEEDRO CC1(C)[C@H]([NH2+]Cc2ccc(C#N)o2)[C@H]2CCO[C@H]21 ZINC000246145170 388438989 /nfs/dbraw/zinc/43/89/89/388438989.db2.gz KPMNVPWVEWEGQQ-JHJVBQTASA-N 1 0 246.310 2.054 20 30 BEEDRO Cc1noc(C)c1CC[NH2+]Cc1ccc(C#N)o1 ZINC000174368885 388439171 /nfs/dbraw/zinc/43/91/71/388439171.db2.gz ICJQIKUXBAHPKV-UHFFFAOYSA-N 1 0 245.282 2.088 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000528511265 388538939 /nfs/dbraw/zinc/53/89/39/388538939.db2.gz FFABYQOYRGXBGF-KBPBESRZSA-N 1 0 248.370 2.163 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncccc1Cl ZINC000528520999 388542966 /nfs/dbraw/zinc/54/29/66/388542966.db2.gz PATYUVDCQIFDCX-PWSUYJOCSA-N 1 0 238.718 2.168 20 30 BEEDRO COCCC1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000528576558 388548071 /nfs/dbraw/zinc/54/80/71/388548071.db2.gz AKQWXUJNILZSOM-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H](CO)CC1 ZINC000339754658 388486074 /nfs/dbraw/zinc/48/60/74/388486074.db2.gz UFQVEMNNBRYYCJ-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)(CO)[C@@H]([NH2+]CCCCC#N)C1CC1 ZINC000339725284 388486409 /nfs/dbraw/zinc/48/64/09/388486409.db2.gz BNWZDSZLQZIZOX-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC000342704027 388498858 /nfs/dbraw/zinc/49/88/58/388498858.db2.gz KUZPWOYXNTTYRQ-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCC)[C@H]1CC1(C)C ZINC000397819452 388502095 /nfs/dbraw/zinc/50/20/95/388502095.db2.gz PTBZRXPCDCMEQJ-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCC(=O)N(CC[NH+](C)C)C(C)C ZINC000178596644 388503072 /nfs/dbraw/zinc/50/30/72/388503072.db2.gz GKYKXWVCVRHFAS-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C[C@@H]1C ZINC000528430849 388524440 /nfs/dbraw/zinc/52/44/40/388524440.db2.gz LPQNQQAARCTHIF-AGIUHOORSA-N 1 0 236.359 2.019 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000185667784 388589956 /nfs/dbraw/zinc/58/99/56/388589956.db2.gz GQFOOKXLENYVOO-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000649307567 388593898 /nfs/dbraw/zinc/59/38/98/388593898.db2.gz AXJSKUDFDFUTMD-VXGBXAGGSA-N 1 0 221.300 2.006 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)O1 ZINC000296380087 388602142 /nfs/dbraw/zinc/60/21/42/388602142.db2.gz KIQIREQYSCXWHP-UHIISALHSA-N 1 0 230.311 2.214 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCOC1 ZINC000355778904 388604993 /nfs/dbraw/zinc/60/49/93/388604993.db2.gz MYVFKRGDKNUDML-GHMZBOCLSA-N 1 0 234.299 2.056 20 30 BEEDRO CCCC[N@H+](C)CCNc1ncccc1C#N ZINC000301227013 388609402 /nfs/dbraw/zinc/60/94/02/388609402.db2.gz GZPMCTMDISQMQT-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CC[N@H+](CCNc1ccc(C#N)cn1)C(C)C ZINC000301152697 388609627 /nfs/dbraw/zinc/60/96/27/388609627.db2.gz DUCRSFAOFQKYOU-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@H](Nc1ccc(C#N)cn1)C(C)(C)C[NH+](C)C ZINC000301354961 388611028 /nfs/dbraw/zinc/61/10/28/388611028.db2.gz OARZYGCWNSVLTB-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000102845749 388581477 /nfs/dbraw/zinc/58/14/77/388581477.db2.gz RHGBGANSCRKDRN-CYBMUJFWSA-N 1 0 202.301 2.359 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCSCC#N)C[C@@H](C)O1 ZINC000245492574 388584691 /nfs/dbraw/zinc/58/46/91/388584691.db2.gz JSSOGUUUFGGKEI-VXGBXAGGSA-N 1 0 242.388 2.133 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nc(C#N)cs1 ZINC000418132291 388674793 /nfs/dbraw/zinc/67/47/93/388674793.db2.gz YUYTURYUOPFXFA-KXUCPTDWSA-N 1 0 235.356 2.491 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnn2ccccc12 ZINC000125792069 388677116 /nfs/dbraw/zinc/67/71/16/388677116.db2.gz ZRNLDVVQEMRHOC-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000077897266 388678734 /nfs/dbraw/zinc/67/87/34/388678734.db2.gz VRSSBDZCOOYSPU-LBPRGKRZSA-N 1 0 230.311 2.027 20 30 BEEDRO COC[C@H]1CCCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000368668663 388682651 /nfs/dbraw/zinc/68/26/51/388682651.db2.gz BYYCQTXGOQBHGV-LBPRGKRZSA-N 1 0 248.326 2.400 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N(CC)CC ZINC000125947400 388682780 /nfs/dbraw/zinc/68/27/80/388682780.db2.gz LUXFXOQRYVIVIU-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCCCC ZINC000125942472 388683025 /nfs/dbraw/zinc/68/30/25/388683025.db2.gz LPFNXXBKAQPRNF-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000358588549 388624352 /nfs/dbraw/zinc/62/43/52/388624352.db2.gz LVQOXGKHQSSKOV-UWVGGRQHSA-N 1 0 236.290 2.383 20 30 BEEDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(C#N)cc1F ZINC000358585006 388624383 /nfs/dbraw/zinc/62/43/83/388624383.db2.gz IGDXIKPFTMRSFT-JTQLQIEISA-N 1 0 248.301 2.384 20 30 BEEDRO COc1cc([C@@H](C)[NH2+]CC2(CC#N)CC2)ccn1 ZINC000551305044 388625892 /nfs/dbraw/zinc/62/58/92/388625892.db2.gz SEJJVUUAKAKLJC-LLVKDONJSA-N 1 0 245.326 2.435 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154552111 388626849 /nfs/dbraw/zinc/62/68/49/388626849.db2.gz UIGRHHWEVIKLDL-AGIUHOORSA-N 1 0 210.365 2.271 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)s1 ZINC000230151648 388634558 /nfs/dbraw/zinc/63/45/58/388634558.db2.gz ASPMCMLHEGITRF-CABZTGNLSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000230162955 388635068 /nfs/dbraw/zinc/63/50/68/388635068.db2.gz RFOQBMHDTJSWMW-CQSZACIVSA-N 1 0 230.311 2.074 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000230152539 388635237 /nfs/dbraw/zinc/63/52/37/388635237.db2.gz YREXKGPLLCAHBJ-CABZTGNLSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000189544370 388637462 /nfs/dbraw/zinc/63/74/62/388637462.db2.gz YZOSIEGUKYMANN-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO N#CCC[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530237188 388638401 /nfs/dbraw/zinc/63/84/01/388638401.db2.gz UYMZXWBHOXGDEI-FRRDWIJNSA-N 1 0 232.714 2.481 20 30 BEEDRO CC(C)[N@@H+](Cc1cccc(C#N)c1)C[C@@H](C)O ZINC000303989806 388638770 /nfs/dbraw/zinc/63/87/70/388638770.db2.gz KTMSPMKOUGVZKB-GFCCVEGCSA-N 1 0 232.327 2.149 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCCOC1)c1ccc(C#N)cc1 ZINC000109543477 388640296 /nfs/dbraw/zinc/64/02/96/388640296.db2.gz CRKWSWXRJJCLMC-SMDDNHRTSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@]1(CO)CCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304378995 388640371 /nfs/dbraw/zinc/64/03/71/388640371.db2.gz XWZIXDYBDRJCTP-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000305799442 388643070 /nfs/dbraw/zinc/64/30/70/388643070.db2.gz CKBNXSCTWVHQRN-UWVGGRQHSA-N 1 0 236.290 2.119 20 30 BEEDRO CC#CCC[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000190347783 388649392 /nfs/dbraw/zinc/64/93/92/388649392.db2.gz KFPNYORQTCTNTK-ZDUSSCGKSA-N 1 0 239.359 2.454 20 30 BEEDRO CC[NH+](CC)CCNc1ccc(F)cc1C#N ZINC000111890565 388663381 /nfs/dbraw/zinc/66/33/81/388663381.db2.gz WMYGJXSRYKZBMW-UHFFFAOYSA-N 1 0 235.306 2.451 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)[C@@H](C)O1 ZINC000414517045 388664555 /nfs/dbraw/zinc/66/45/55/388664555.db2.gz QBGHDCGLXSVAQX-LALPHHSUSA-N 1 0 244.338 2.461 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OC2CCCCC2)CC1 ZINC000194680912 388740231 /nfs/dbraw/zinc/74/02/31/388740231.db2.gz MWDFOCWWOYLXGY-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2ccccn2)c1 ZINC000093492043 388742324 /nfs/dbraw/zinc/74/23/24/388742324.db2.gz XVRHASSASPVPDO-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000276896520 388742904 /nfs/dbraw/zinc/74/29/04/388742904.db2.gz IJXRDQUPGIYBBM-VHSXEESVSA-N 1 0 236.290 2.383 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000277182389 388745623 /nfs/dbraw/zinc/74/56/23/388745623.db2.gz NSNFLCGCIUEJAS-AWEZNQCLSA-N 1 0 243.354 2.479 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C#N)o2)CC1 ZINC000277392800 388746518 /nfs/dbraw/zinc/74/65/18/388746518.db2.gz HBWNHDBMLRRNQD-LBPRGKRZSA-N 1 0 247.342 2.067 20 30 BEEDRO CO[C@@H]1C[N@H+](CCCCC#N)CC[C@H]1C ZINC000251433552 388747409 /nfs/dbraw/zinc/74/74/09/388747409.db2.gz AQLBKCCJYLVRHR-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)[C@H](C)O1 ZINC000449304916 388748400 /nfs/dbraw/zinc/74/84/00/388748400.db2.gz QFDDZKZLSXXSKW-XUJVJEKNSA-N 1 0 244.338 2.256 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000449307332 388748635 /nfs/dbraw/zinc/74/86/35/388748635.db2.gz ZGBZDTYHHIAEJY-SMDDNHRTSA-N 1 0 246.379 2.442 20 30 BEEDRO Cc1ccnc(N(CC[NH+](C)C)C(C)C)c1C#N ZINC000277727168 388749687 /nfs/dbraw/zinc/74/96/87/388749687.db2.gz GVSIDUXMRUOZQM-UHFFFAOYSA-N 1 0 246.358 2.038 20 30 BEEDRO CCC1(C[NH2+]Cc2ccc(C#N)c(C)c2)COC1 ZINC000449606443 388751530 /nfs/dbraw/zinc/75/15/30/388751530.db2.gz QWMCSQMVEDUCLC-UHFFFAOYSA-N 1 0 244.338 2.383 20 30 BEEDRO CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000423244048 388689623 /nfs/dbraw/zinc/68/96/23/388689623.db2.gz XDIYELUUCCUARQ-HUUCEWRRSA-N 1 0 243.354 2.351 20 30 BEEDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1cccc(C#N)c1 ZINC000423266681 388690137 /nfs/dbraw/zinc/69/01/37/388690137.db2.gz DVMLRVKNYAQSTJ-FZMZJTMJSA-N 1 0 231.343 2.192 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000423452743 388692617 /nfs/dbraw/zinc/69/26/17/388692617.db2.gz WUJBXJWKCLPPBW-GUBZILKMSA-N 1 0 235.306 2.084 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248751026 388693252 /nfs/dbraw/zinc/69/32/52/388693252.db2.gz CAWQIIJEKJDHMZ-UHTWSYAYSA-N 1 0 246.358 2.462 20 30 BEEDRO CCCC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000370731480 388693796 /nfs/dbraw/zinc/69/37/96/388693796.db2.gz XEKLWIRMIINATG-CYBMUJFWSA-N 1 0 245.326 2.206 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000248889994 388697512 /nfs/dbraw/zinc/69/75/12/388697512.db2.gz SOFGKDKVTQCAHJ-ZDEQEGDKSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248889991 388697886 /nfs/dbraw/zinc/69/78/86/388697886.db2.gz SOFGKDKVTQCAHJ-UMSGYPCISA-N 1 0 224.348 2.065 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000527741051 388700090 /nfs/dbraw/zinc/70/00/90/388700090.db2.gz XEFWSWDAJCHRHQ-HNNXBMFYSA-N 1 0 244.338 2.465 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccccc1C#N ZINC000527805217 388700585 /nfs/dbraw/zinc/70/05/85/388700585.db2.gz UUBULAGCYAYZNW-UUIJZJDISA-N 1 0 244.338 2.460 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccccc1C#N ZINC000527805213 388700856 /nfs/dbraw/zinc/70/08/56/388700856.db2.gz UUBULAGCYAYZNW-NWJSVONSSA-N 1 0 244.338 2.460 20 30 BEEDRO CO[C@@H](C[N@H+](C)Cc1ccc(C#N)cc1)C1CC1 ZINC000425386020 388705056 /nfs/dbraw/zinc/70/50/56/388705056.db2.gz QTYDFMQWCPKWPH-HNNXBMFYSA-N 1 0 244.338 2.415 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000193574016 388709654 /nfs/dbraw/zinc/70/96/54/388709654.db2.gz AMNJEZFKNZPIGZ-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCOC(F)F)cc1 ZINC000193664434 388712941 /nfs/dbraw/zinc/71/29/41/388712941.db2.gz DBZAPNVUQPXURW-UHFFFAOYSA-N 1 0 240.253 2.277 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000249429859 388721456 /nfs/dbraw/zinc/72/14/56/388721456.db2.gz GSLRAUYOESCBQL-XQQFMLRXSA-N 1 0 238.375 2.282 20 30 BEEDRO C#CC[N@@H+](Cc1cnn(C=C)c1)C1CCCC1 ZINC000194038705 388721555 /nfs/dbraw/zinc/72/15/55/388721555.db2.gz IGDFNNUZDOKQEV-UHFFFAOYSA-N 1 0 229.327 2.361 20 30 BEEDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000533080660 388723471 /nfs/dbraw/zinc/72/34/71/388723471.db2.gz JNHHCHMVEKHLPJ-GXTWGEPZSA-N 1 0 244.338 2.151 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1ccc(C#N)o1 ZINC000092067173 388732828 /nfs/dbraw/zinc/73/28/28/388732828.db2.gz ONIXEQCNRTXUQP-UHFFFAOYSA-N 1 0 204.273 2.383 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000229529692 388793873 /nfs/dbraw/zinc/79/38/73/388793873.db2.gz LTFWXESYZDDNRB-WDEREUQCSA-N 1 0 205.276 2.368 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000229891270 388802735 /nfs/dbraw/zinc/80/27/35/388802735.db2.gz IWINLCBMQWUBEV-GFCCVEGCSA-N 1 0 219.332 2.140 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1nc2ccccc2n1C ZINC000229887564 388803347 /nfs/dbraw/zinc/80/33/47/388803347.db2.gz MPDZFIGZNWDSRF-LLVKDONJSA-N 1 0 227.311 2.075 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000128483362 388765230 /nfs/dbraw/zinc/76/52/30/388765230.db2.gz DYKBGYHTHWPICN-SNVBAGLBSA-N 1 0 246.310 2.244 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000229321005 388785588 /nfs/dbraw/zinc/78/55/88/388785588.db2.gz CPHSNOXYAQIFSL-GHMZBOCLSA-N 1 0 205.301 2.487 20 30 BEEDRO C#CC[N@H+](C)CCOc1ccc(F)c(Cl)c1 ZINC001645493039 1172674325 /nfs/dbraw/zinc/67/43/25/1172674325.db2.gz CHBSOPQQKHQVKS-UHFFFAOYSA-N 1 0 241.693 2.423 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000648763566 388846010 /nfs/dbraw/zinc/84/60/10/388846010.db2.gz HSEBUMJKSJXSLF-RQJABVFESA-N 1 0 239.359 2.267 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC#N)CCO1 ZINC000564851723 388894133 /nfs/dbraw/zinc/89/41/33/388894133.db2.gz QHQFJONMIFWZKJ-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCC#N)CCO1 ZINC000564851719 388894585 /nfs/dbraw/zinc/89/45/85/388894585.db2.gz QHQFJONMIFWZKJ-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000564463887 388875654 /nfs/dbraw/zinc/87/56/54/388875654.db2.gz ZIEMAAPGJMHCEG-AVGNSLFASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000565152175 388918553 /nfs/dbraw/zinc/91/85/53/388918553.db2.gz XFHOXVCTZZPAPH-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CC12CCSCC2 ZINC000565655120 388960488 /nfs/dbraw/zinc/96/04/88/388960488.db2.gz QZONZZSWFQXZKE-JTQLQIEISA-N 1 0 210.346 2.023 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(C)n1C ZINC000565843367 388974501 /nfs/dbraw/zinc/97/45/01/388974501.db2.gz MJDQTUINBPQFMD-NSHDSACASA-N 1 0 207.321 2.173 20 30 BEEDRO CCN1CCC[N@@H+]([C@H](C)CCCC#N)CC1 ZINC001172494623 974844122 /nfs/dbraw/zinc/84/41/22/974844122.db2.gz WOFIGURTDZJZIH-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CCC[N@H+](CCOC)[C@H](C)CCCC#N ZINC001172494440 974844644 /nfs/dbraw/zinc/84/46/44/974844644.db2.gz UVGXAEIOUMLWKN-GFCCVEGCSA-N 1 0 212.337 2.427 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOC[C@H](C)C1 ZINC001172494665 974844657 /nfs/dbraw/zinc/84/46/57/974844657.db2.gz XADSXOZRIQAFCA-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000166517128 533234388 /nfs/dbraw/zinc/23/43/88/533234388.db2.gz LMUDADVQBLRKIS-SECBINFHSA-N 1 0 231.324 2.250 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1cccc(C)c1 ZINC000262471219 533236356 /nfs/dbraw/zinc/23/63/56/533236356.db2.gz CBJJVAZNEBTKTD-NSHDSACASA-N 1 0 215.300 2.133 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)n[nH]c1C)C(C)(C)C ZINC000290192186 533267506 /nfs/dbraw/zinc/26/75/06/533267506.db2.gz OTZLAMRJZJATHN-GFCCVEGCSA-N 1 0 219.332 2.164 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(CC)s1)C(C)C ZINC000289077128 533266390 /nfs/dbraw/zinc/26/63/90/533266390.db2.gz AQZCYRBSYBYHRG-LLVKDONJSA-N 1 0 222.357 2.453 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccn1CC)C(C)C ZINC000296761027 533266750 /nfs/dbraw/zinc/26/67/50/533266750.db2.gz KYEQRHCBACNHLN-CYBMUJFWSA-N 1 0 204.317 2.255 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000123108741 533296090 /nfs/dbraw/zinc/29/60/90/533296090.db2.gz HGEGJVWRPAUUIR-GRTSSRMGSA-N 1 0 224.307 2.222 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000289081153 533297805 /nfs/dbraw/zinc/29/78/05/533297805.db2.gz AXIKNJGZDMKYJR-WCQYABFASA-N 1 0 229.323 2.164 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000377618548 533297836 /nfs/dbraw/zinc/29/78/36/533297836.db2.gz BSMIIFNXABGBBA-JTQLQIEISA-N 1 0 245.351 2.260 20 30 BEEDRO C[C@@H]([NH2+]CCCCO)c1ccc(C#N)cc1F ZINC000494496832 533377331 /nfs/dbraw/zinc/37/73/31/533377331.db2.gz PYBONSNAHJOGNM-SNVBAGLBSA-N 1 0 236.290 2.120 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)NCc1cccc(C)c1 ZINC000181278509 533495063 /nfs/dbraw/zinc/49/50/63/533495063.db2.gz RQXCNKHAWZWCSU-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000181248845 533495659 /nfs/dbraw/zinc/49/56/59/533495659.db2.gz ZZBSVKRXQLMXQN-ZDUSSCGKSA-N 1 0 246.354 2.372 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@H](C)CC ZINC000170915914 533499610 /nfs/dbraw/zinc/49/96/10/533499610.db2.gz KYZVAGAVTPWGOL-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@@H]1CC ZINC000341175217 533499960 /nfs/dbraw/zinc/49/99/60/533499960.db2.gz ZEWAHDPCVJIQCJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC(C)(C)C(=O)OC ZINC000338546039 533504790 /nfs/dbraw/zinc/50/47/90/533504790.db2.gz KLJKDVPZOCJQGJ-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000263159301 533510212 /nfs/dbraw/zinc/51/02/12/533510212.db2.gz QLIMIHIZRSBPNF-QWHCGFSZSA-N 1 0 235.375 2.293 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358687510 533534905 /nfs/dbraw/zinc/53/49/05/533534905.db2.gz UDWKUZUHAYKGGD-RWMBFGLXSA-N 1 0 238.375 2.140 20 30 BEEDRO N#Cc1cc(Cl)ccc1N1CCC[C@H](C[NH3+])C1 ZINC000052858756 132229452 /nfs/dbraw/zinc/22/94/52/132229452.db2.gz UDBKMLRQJOVTTJ-SNVBAGLBSA-N 1 0 249.745 2.387 20 30 BEEDRO N#Cc1cc(F)ccc1N1CCC[C@H](CC[NH3+])C1 ZINC000070171228 132229869 /nfs/dbraw/zinc/22/98/69/132229869.db2.gz BCDSEWKUPFPMMH-LLVKDONJSA-N 1 0 247.317 2.263 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000070175175 132230435 /nfs/dbraw/zinc/23/04/35/132230435.db2.gz JGFVRBRCGORIDL-CMPLNLGQSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1cccc(F)c1C#N ZINC000356771032 132271714 /nfs/dbraw/zinc/27/17/14/132271714.db2.gz CGIVFKJGWIPSOG-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000186695264 133443349 /nfs/dbraw/zinc/44/33/49/133443349.db2.gz PGYWDZJFCZPCSD-OCCSQVGLSA-N 1 0 249.354 2.153 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000308859473 133450904 /nfs/dbraw/zinc/45/09/04/133450904.db2.gz XXSBTNSLJNGCAA-NEPJUHHUSA-N 1 0 204.317 2.458 20 30 BEEDRO COCCC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309062544 133454103 /nfs/dbraw/zinc/45/41/03/133454103.db2.gz XPGANWAPCJZKOC-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309089937 133455770 /nfs/dbraw/zinc/45/57/70/133455770.db2.gz ASYGOHWVBOBNLY-KKOKHZNYSA-N 1 0 224.373 2.410 20 30 BEEDRO C=CCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115567610 133471979 /nfs/dbraw/zinc/47/19/79/133471979.db2.gz PQTLLUNQXYAOFN-UHFFFAOYSA-N 1 0 222.376 2.369 20 30 BEEDRO CN(C)C(=[NH2+])NC[C@@H](c1ccccc1)C1CC1 ZINC000292246546 133574269 /nfs/dbraw/zinc/57/42/69/133574269.db2.gz CYPXXPVOBGLHGN-ZDUSSCGKSA-N 1 0 231.343 2.057 20 30 BEEDRO C[C@H](Cn1cccn1)[NH2+]CC(C)(C)CCC#N ZINC000163658440 133660207 /nfs/dbraw/zinc/66/02/07/133660207.db2.gz RJVBUCCAMJBZLF-GFCCVEGCSA-N 1 0 234.347 2.191 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000894383079 583442415 /nfs/dbraw/zinc/44/24/15/583442415.db2.gz IOBYQFPRIVAYGI-TUAOUCFPSA-N 1 0 209.333 2.190 20 30 BEEDRO Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000331438944 134000326 /nfs/dbraw/zinc/00/03/26/134000326.db2.gz ZSVQSAIMCZQCSM-GVXVVHGQSA-N 1 0 244.342 2.079 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2Cc3cccc(O)c3C2)C1 ZINC000331529680 134000403 /nfs/dbraw/zinc/00/04/03/134000403.db2.gz QTPCBTKUXRQXFW-WXHSDQCUSA-N 1 0 242.322 2.141 20 30 BEEDRO N#CC1(C[NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000332171814 134004522 /nfs/dbraw/zinc/00/45/22/134004522.db2.gz UILKUQAOHXPUHV-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO CC[N@H+](CCC#N)[C@H]1CCOC(C)(C)C1 ZINC000351938761 134014954 /nfs/dbraw/zinc/01/49/54/134014954.db2.gz 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CIICCHCEBNAELP-VXGBXAGGSA-N 1 0 233.315 2.198 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000354207646 134167321 /nfs/dbraw/zinc/16/73/21/134167321.db2.gz MTGUXOLWCUTMOG-JHJVBQTASA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000354401629 134167938 /nfs/dbraw/zinc/16/79/38/134167938.db2.gz PVINLTZOPLVZFP-JTQLQIEISA-N 1 0 237.265 2.342 20 30 BEEDRO C=CCCC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000354372087 134168058 /nfs/dbraw/zinc/16/80/58/134168058.db2.gz LFCKJQVZSXDYHG-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+](CCCc1ccc(C)nc1)CCOC ZINC000355107803 134171780 /nfs/dbraw/zinc/17/17/80/134171780.db2.gz CTRRTNIVHKIIBF-UHFFFAOYSA-N 1 0 248.370 2.457 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cnccc1C ZINC000355126486 134171972 /nfs/dbraw/zinc/17/19/72/134171972.db2.gz RXGQMBSQSCJYIT-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000356261623 134177592 /nfs/dbraw/zinc/17/75/92/134177592.db2.gz PKXUOXNHLLPIBI-OAHLLOKOSA-N 1 0 233.355 2.489 20 30 BEEDRO C=CCCC1(C(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000357004898 134181404 /nfs/dbraw/zinc/18/14/04/134181404.db2.gz ZYKXFHUPSWDMQD-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC000357963393 134186347 /nfs/dbraw/zinc/18/63/47/134186347.db2.gz KOZJWMAVXFDKLW-VXGBXAGGSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCCCC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358056734 134186752 /nfs/dbraw/zinc/18/67/52/134186752.db2.gz BAHWZBZJJVAPFU-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358698211 134192193 /nfs/dbraw/zinc/19/21/93/134192193.db2.gz TVJPOCNEEOZFLW-SCRDCRAPSA-N 1 0 238.375 2.140 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1 ZINC000367356462 134196879 /nfs/dbraw/zinc/19/68/79/134196879.db2.gz NASSQQJRUWHALT-UHFFFAOYSA-N 1 0 241.334 2.423 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000360236814 134199471 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/nfs/dbraw/zinc/23/86/57/134238657.db2.gz RYMPOXRGFUGFSV-NWDGAFQWSA-N 1 0 223.364 2.270 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CC)C1 ZINC000305073614 134239906 /nfs/dbraw/zinc/23/99/06/134239906.db2.gz KFEBBWQOWISMAQ-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CC1CC[NH+](C[C@H]2CCCN(CCC#N)C2)CC1 ZINC000377478064 134244071 /nfs/dbraw/zinc/24/40/71/134244071.db2.gz XGXSNARFTJVZMA-HNNXBMFYSA-N 1 0 249.402 2.344 20 30 BEEDRO CC#CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377678661 134244222 /nfs/dbraw/zinc/24/42/22/134244222.db2.gz SLGBFKRSVAZPNT-GJZGRUSLSA-N 1 0 246.329 2.184 20 30 BEEDRO C#CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000377649645 134244583 /nfs/dbraw/zinc/24/45/83/134244583.db2.gz LPBAGNHVUHAQPG-MRXNPFEDSA-N 1 0 241.334 2.479 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C#N)cc(C)n1 ZINC000218065805 134251387 /nfs/dbraw/zinc/25/13/87/134251387.db2.gz KAYBWNWGFMKNSK-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000170695351 134253218 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ZINC000339563914 135076045 /nfs/dbraw/zinc/07/60/45/135076045.db2.gz MYABPAUMMWBSGS-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339682000 135077187 /nfs/dbraw/zinc/07/71/87/135077187.db2.gz WSUKWUFZGGQDJM-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339681243 135077189 /nfs/dbraw/zinc/07/71/89/135077189.db2.gz GFJFOWHOIBLOCN-UONOGXRCSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC1CC[NH+](C)CC1 ZINC000339667722 135077239 /nfs/dbraw/zinc/07/72/39/135077239.db2.gz KEKJQMFFLGDIPR-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000339711516 135077668 /nfs/dbraw/zinc/07/76/68/135077668.db2.gz SDAOKBHMEFDBCT-ZDUSSCGKSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339681244 135077821 /nfs/dbraw/zinc/07/78/21/135077821.db2.gz GFJFOWHOIBLOCN-ZIAGYGMSSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CO)c1ccsc1 ZINC000308554441 135079872 /nfs/dbraw/zinc/07/98/72/135079872.db2.gz YSLPAJMXMVZOPA-NSHDSACASA-N 1 0 211.330 2.337 20 30 BEEDRO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000251932908 135081004 /nfs/dbraw/zinc/08/10/04/135081004.db2.gz TZYSBNSXIPBMAX-IUODEOHRSA-N 1 0 244.338 2.415 20 30 BEEDRO N#CCCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339770340 135081682 /nfs/dbraw/zinc/08/16/82/135081682.db2.gz BQWBYDMBVIPXAV-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[N@@H+]1CCOC[C@@H]1CC1CCC1 ZINC000339773456 135082256 /nfs/dbraw/zinc/08/22/56/135082256.db2.gz RMYYRIWYJAUJBT-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000339849887 135085214 /nfs/dbraw/zinc/08/52/14/135085214.db2.gz DYMKJTMPMWXMGO-LLVKDONJSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000339989170 135093475 /nfs/dbraw/zinc/09/34/75/135093475.db2.gz NMJNTLCGVCBSNL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccccn2)CC1 ZINC000259297301 135104545 /nfs/dbraw/zinc/10/45/45/135104545.db2.gz UWIZZRHPBXUMCN-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1sccc1C ZINC000261769242 135110988 /nfs/dbraw/zinc/11/09/88/135110988.db2.gz MMCQOXQHWIXVDH-SECBINFHSA-N 1 0 225.361 2.259 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C)s1 ZINC000261725662 135111265 /nfs/dbraw/zinc/11/12/65/135111265.db2.gz GMBJQFNFAXQWKZ-MRVPVSSYSA-N 1 0 225.361 2.259 20 30 BEEDRO [NH2+]=C(NCCC1CC1)Nc1cc(F)ccc1F ZINC000262307488 135117942 /nfs/dbraw/zinc/11/79/42/135117942.db2.gz RSLPDDQRXRNOPB-UHFFFAOYSA-N 1 0 239.269 2.492 20 30 BEEDRO C[C@@H]1C[C@@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262281888 135118014 /nfs/dbraw/zinc/11/80/14/135118014.db2.gz LDEIXTWGAWZYDX-MUWHJKNJSA-N 1 0 225.242 2.100 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(C)cc1SC ZINC000262358837 135118056 /nfs/dbraw/zinc/11/80/56/135118056.db2.gz GKRDIWYDAGCEHZ-UHFFFAOYSA-N 1 0 249.383 2.307 20 30 BEEDRO C[NH+]=C(NC(C)C)N[C@H]1C[C@H]1Cc1ccccc1 ZINC000262426031 135118910 /nfs/dbraw/zinc/11/89/10/135118910.db2.gz RPYVFISHYXCCGX-KGLIPLIRSA-N 1 0 245.370 2.191 20 30 BEEDRO CN/C(=[NH+]/C)N(C)Cc1c(F)cccc1Cl ZINC000262533871 135119608 /nfs/dbraw/zinc/11/96/08/135119608.db2.gz JGFJQSIUUIQRLY-UHFFFAOYSA-N 1 0 243.713 2.116 20 30 BEEDRO Cc1cc(CNC2=[NH+]C[C@@H](C)N2)ccc1Cl ZINC000262628057 135119809 /nfs/dbraw/zinc/11/98/09/135119809.db2.gz DZVHZJFZRGICAS-SECBINFHSA-N 1 0 237.734 2.086 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCc3ccccc32)N1 ZINC000262642015 135120208 /nfs/dbraw/zinc/12/02/08/135120208.db2.gz IAJBRMPUCJYZSL-YPMHNXCESA-N 1 0 243.354 2.044 20 30 BEEDRO C[C@H](CNC1=[NH+]C[C@@H](C)N1)Sc1ccccc1 ZINC000262641962 135120306 /nfs/dbraw/zinc/12/03/06/135120306.db2.gz HXNYCPZWEAHZFA-GHMZBOCLSA-N 1 0 249.383 2.105 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000262671936 135120874 /nfs/dbraw/zinc/12/08/74/135120874.db2.gz PSLBSQLSJUFOMA-IACUBPJLSA-N 1 0 245.370 2.320 20 30 BEEDRO CC#CCC[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000253092104 135120905 /nfs/dbraw/zinc/12/09/05/135120905.db2.gz KKITZNRSTGDPAE-UONOGXRCSA-N 1 0 223.360 2.415 20 30 BEEDRO Cc1cccc(C(C)(C)CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262671302 135121002 /nfs/dbraw/zinc/12/10/02/135121002.db2.gz RCBOIKLDCAKWQN-LBPRGKRZSA-N 1 0 245.370 2.210 20 30 BEEDRO Cc1cc(C)c(CNC2=[NH+]C[C@H](C)N2)c(C)c1 ZINC000262673522 135121227 /nfs/dbraw/zinc/12/12/27/135121227.db2.gz SCQSHMAREZJBOL-LBPRGKRZSA-N 1 0 231.343 2.049 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253096983 135121273 /nfs/dbraw/zinc/12/12/73/135121273.db2.gz RDGLDBGTNIVCJZ-KFWWJZLASA-N 1 0 235.371 2.415 20 30 BEEDRO CSc1ccc(CCNC(=[NH2+])NC2CC2)cc1 ZINC000262827732 135122607 /nfs/dbraw/zinc/12/26/07/135122607.db2.gz QSWCXQWALUFNFK-UHFFFAOYSA-N 1 0 249.383 2.018 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC1CCCCC1 ZINC000263228109 135125956 /nfs/dbraw/zinc/12/59/56/135125956.db2.gz HEGAPICLOMVTMM-UHFFFAOYSA-N 1 0 235.331 2.277 20 30 BEEDRO CN(C)C(=[NH+]Cc1cccc(Cl)c1)N(C)C ZINC000263279834 135125976 /nfs/dbraw/zinc/12/59/76/135125976.db2.gz ZRQLFFWIHFZFMR-UHFFFAOYSA-N 1 0 239.750 2.319 20 30 BEEDRO [NH2+]=C(Nc1ccccc1)NC1CC(F)(F)C1 ZINC000263287754 135125995 /nfs/dbraw/zinc/12/59/95/135125995.db2.gz VIKALKOLIIHYAB-UHFFFAOYSA-N 1 0 225.242 2.211 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000264058015 135130275 /nfs/dbraw/zinc/13/02/75/135130275.db2.gz BSBXIBZHIAKZAY-CYBMUJFWSA-N 1 0 247.342 2.209 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C)cc1 ZINC000264056815 135130358 /nfs/dbraw/zinc/13/03/58/135130358.db2.gz BHWIVJZQVMDGMV-LLVKDONJSA-N 1 0 219.332 2.198 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCOC2)c1 ZINC000264084090 135131665 /nfs/dbraw/zinc/13/16/65/135131665.db2.gz IMHLNXAASPEBMV-GFCCVEGCSA-N 1 0 247.342 2.012 20 30 BEEDRO Cc1cccc(CNC(=[NH2+])NCCC(C)C)c1 ZINC000264091556 135132484 /nfs/dbraw/zinc/13/24/84/135132484.db2.gz LAOQUOKBEVACDA-UHFFFAOYSA-N 1 0 233.359 2.445 20 30 BEEDRO CNC(NC[C@H](c1ccccc1)C(C)C)=[NH+]C ZINC000264085396 135132600 /nfs/dbraw/zinc/13/26/00/135132600.db2.gz JFDRBUIUNPRDQL-ZDUSSCGKSA-N 1 0 233.359 2.221 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](C)c1ccc(F)cc1 ZINC000264085437 135132665 /nfs/dbraw/zinc/13/26/65/135132665.db2.gz JGJLYBBQEKFROG-SNVBAGLBSA-N 1 0 235.306 2.020 20 30 BEEDRO CCCNC(=[NH2+])NCCc1cccc(Cl)c1 ZINC000264100339 135133217 /nfs/dbraw/zinc/13/32/17/135133217.db2.gz MRBSTDWIKWOSHW-UHFFFAOYSA-N 1 0 239.750 2.197 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NCC(C)C)ccc1F ZINC000264106049 135133231 /nfs/dbraw/zinc/13/32/31/135133231.db2.gz NRDPXNAHQVZBCO-UHFFFAOYSA-N 1 0 237.322 2.194 20 30 BEEDRO CCNC(=[NH2+])NCCCc1cccc(Cl)c1 ZINC000264103419 135133254 /nfs/dbraw/zinc/13/32/54/135133254.db2.gz OTJVNBFXBRNAQX-UHFFFAOYSA-N 1 0 239.750 2.197 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(F)cc1F ZINC000264133113 135134935 /nfs/dbraw/zinc/13/49/35/135134935.db2.gz UNWLFYJQSBWCNZ-QMMMGPOBSA-N 1 0 241.285 2.168 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(C)c(O)c(C)c1 ZINC000264136815 135134957 /nfs/dbraw/zinc/13/49/57/135134957.db2.gz ZYSZLFOAMMPMLT-LLVKDONJSA-N 1 0 249.358 2.212 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCC2CC2)cc1C ZINC000264146105 135135714 /nfs/dbraw/zinc/13/57/14/135135714.db2.gz XZJYBUMDYSFSIE-UHFFFAOYSA-N 1 0 217.316 2.440 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264158010 135135982 /nfs/dbraw/zinc/13/59/82/135135982.db2.gz ASFAGKHVAQYPSE-UHFFFAOYSA-N 1 0 243.354 2.413 20 30 BEEDRO CCCCNC(=[NH2+])NCCc1ccccc1C ZINC000264152070 135135993 /nfs/dbraw/zinc/13/59/93/135135993.db2.gz ZNEYANDWJVJXOB-UHFFFAOYSA-N 1 0 233.359 2.242 20 30 BEEDRO CCNC(=[NH2+])NCCCc1ccc(Cl)cc1 ZINC000264236537 135136993 /nfs/dbraw/zinc/13/69/93/135136993.db2.gz DIZNDRYETNHYCY-UHFFFAOYSA-N 1 0 239.750 2.197 20 30 BEEDRO C=CCNC(=[NH2+])NCCCCC(C)(C)C ZINC000264312915 135137780 /nfs/dbraw/zinc/13/77/80/135137780.db2.gz VIVFFEAJJFXSOH-UHFFFAOYSA-N 1 0 211.353 2.293 20 30 BEEDRO N#CCOc1ccc(C[NH+]2CCSCC2)cc1 ZINC000264549359 135139132 /nfs/dbraw/zinc/13/91/32/135139132.db2.gz KRKJNFBFGLZGLM-UHFFFAOYSA-N 1 0 248.351 2.138 20 30 BEEDRO Cc1nc(C)c(C[NH+]2CCC(C#N)CC2)s1 ZINC000266013460 135147135 /nfs/dbraw/zinc/14/71/35/135147135.db2.gz TWSWFSNZJKWEMA-UHFFFAOYSA-N 1 0 235.356 2.496 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(CC)(CC)SC ZINC000267383816 135153670 /nfs/dbraw/zinc/15/36/70/135153670.db2.gz BFMWLYIUEHJBHD-UHFFFAOYSA-N 1 0 243.420 2.389 20 30 BEEDRO CCNC(=[NH2+])NCCOc1ccccc1C(C)C ZINC000267462432 135154666 /nfs/dbraw/zinc/15/46/66/135154666.db2.gz VMIAOEICPATAKC-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000087608402 135158587 /nfs/dbraw/zinc/15/85/87/135158587.db2.gz VTDRHBHEZOYTMI-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(CC)CCCC1 ZINC000268388671 135158731 /nfs/dbraw/zinc/15/87/31/135158731.db2.gz FPFOMHPMKQBNDU-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000087608401 135159373 /nfs/dbraw/zinc/15/93/73/135159373.db2.gz VTDRHBHEZOYTMI-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO COC[C@@H]1CC[N@H+](CCCC(C)(C)C#N)C1 ZINC000087608790 135160454 /nfs/dbraw/zinc/16/04/54/135160454.db2.gz VXDVDCZWZKWQNX-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccco1 ZINC000353394665 135167467 /nfs/dbraw/zinc/16/74/67/135167467.db2.gz MZULMZLZWMLBAC-GHMZBOCLSA-N 1 0 236.315 2.140 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)C1(CC)CC ZINC000353569523 135188819 /nfs/dbraw/zinc/18/88/19/135188819.db2.gz RAOUZXFKEJUSFT-JHJVBQTASA-N 1 0 241.375 2.107 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](OCC)C1(CC)CC ZINC000353569524 135188834 /nfs/dbraw/zinc/18/88/34/135188834.db2.gz RAOUZXFKEJUSFT-UPJWGTAASA-N 1 0 241.375 2.107 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000084212691 135192034 /nfs/dbraw/zinc/19/20/34/135192034.db2.gz WKXBACSTEBKFFL-WCQYABFASA-N 1 0 215.300 2.098 20 30 BEEDRO Cc1nc(N[C@H]2CCCC[C@@H]2C[NH3+])ccc1C#N ZINC000261555666 135195204 /nfs/dbraw/zinc/19/52/04/135195204.db2.gz BPQKXXDHQWJRCX-OLZOCXBDSA-N 1 0 244.342 2.191 20 30 BEEDRO C=C(Cl)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000299548308 135205290 /nfs/dbraw/zinc/20/52/90/135205290.db2.gz FXTQXFUDEQDIAK-UHFFFAOYSA-N 1 0 233.739 2.308 20 30 BEEDRO C[C@H]1[C@H]([NH3+])CCN1c1cc(Cl)ccc1C#N ZINC000261563405 135205507 /nfs/dbraw/zinc/20/55/07/135205507.db2.gz BVAKYKWIOZWPCB-GZMMTYOYSA-N 1 0 235.718 2.138 20 30 BEEDRO N#Cc1cccc(NCC2([NH3+])CCCCC2)n1 ZINC000261563270 135205521 /nfs/dbraw/zinc/20/55/21/135205521.db2.gz WXCMOOKZPNPKRI-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc(O)c1 ZINC000163861578 135207951 /nfs/dbraw/zinc/20/79/51/135207951.db2.gz VGMCCFBNYBVEOQ-UHFFFAOYSA-N 1 0 204.273 2.176 20 30 BEEDRO C[C@@H]1CCC[C@H](CCNC2=[NH+]CCN2C)C1 ZINC000261570110 135212681 /nfs/dbraw/zinc/21/26/81/135212681.db2.gz GQITYRORVGPLRD-VXGBXAGGSA-N 1 0 223.364 2.094 20 30 BEEDRO C[C@@H]1CCN(c2ccc(F)cc2C#N)C[C@@H]1C[NH3+] ZINC000164020720 135212996 /nfs/dbraw/zinc/21/29/96/135212996.db2.gz ZGUJJAJYOOUDDZ-PWSUYJOCSA-N 1 0 247.317 2.118 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC2CCC(C)(C)CC2)N1 ZINC000261576351 135217881 /nfs/dbraw/zinc/21/78/81/135217881.db2.gz KHVLWYPZNSLBQG-SNVBAGLBSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CC[N@@H+](C)CCOc1ccc(C#N)cc1OC ZINC000121146232 135220671 /nfs/dbraw/zinc/22/06/71/135220671.db2.gz PRDGUGQKOHRLAU-UHFFFAOYSA-N 1 0 246.310 2.063 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000042351389 135221314 /nfs/dbraw/zinc/22/13/14/135221314.db2.gz HLXVLASUVSYZEV-QWHCGFSZSA-N 1 0 246.354 2.336 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H](CC)CCO)C1CC1 ZINC000121310604 135222078 /nfs/dbraw/zinc/22/20/78/135222078.db2.gz XVSZIJFAGGXUSI-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000121183879 135222709 /nfs/dbraw/zinc/22/27/09/135222709.db2.gz PQSKQKPUUQGYGX-UHFFFAOYSA-N 1 0 243.310 2.005 20 30 BEEDRO C=C(C)C[NH+]1CCN(c2cccs2)CC1 ZINC000121412259 135223551 /nfs/dbraw/zinc/22/35/51/135223551.db2.gz OPKLSVLKBFHYIX-UHFFFAOYSA-N 1 0 222.357 2.446 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000340734313 135227966 /nfs/dbraw/zinc/22/79/66/135227966.db2.gz CUHODYXPFGNOLY-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[NH+]1CCN(c2ccccc2C)CC1 ZINC000045911385 135228001 /nfs/dbraw/zinc/22/80/01/135228001.db2.gz OHTHHZAEWVDZSS-UHFFFAOYSA-N 1 0 216.328 2.303 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCC(O)(COC)CC1 ZINC000340965153 135233160 /nfs/dbraw/zinc/23/31/60/135233160.db2.gz WQBLEXDPSICMSN-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(F)cc1C ZINC000341283206 135235784 /nfs/dbraw/zinc/23/57/84/135235784.db2.gz WWZCGXREIWMPIA-GFCCVEGCSA-N 1 0 237.318 2.408 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(OCC)cc1 ZINC000341269991 135236346 /nfs/dbraw/zinc/23/63/46/135236346.db2.gz UUQSSEPQFGRRIK-CQSZACIVSA-N 1 0 249.354 2.360 20 30 BEEDRO N#CC1(c2ccccc2)CC([NH2+]CCF)C1 ZINC000304128953 135242161 /nfs/dbraw/zinc/24/21/61/135242161.db2.gz RDNGVNYYGSUVAZ-UHFFFAOYSA-N 1 0 218.275 2.169 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cnccc1C ZINC000341869227 135244029 /nfs/dbraw/zinc/24/40/29/135244029.db2.gz ACZQEVLKUFKDIM-OLZOCXBDSA-N 1 0 234.343 2.225 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCc2ccccc21 ZINC000341882503 135244063 /nfs/dbraw/zinc/24/40/63/135244063.db2.gz HFCUGOUAFWXZFS-SWLSCSKDSA-N 1 0 231.339 2.448 20 30 BEEDRO C=CCN(CC(F)(F)F)C[C@]1(C)CC[NH2+]C1 ZINC000261679513 135244885 /nfs/dbraw/zinc/24/48/85/135244885.db2.gz ADIQZXHVMASOFS-SNVBAGLBSA-N 1 0 236.281 2.036 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1CCC(F)(F)CC1 ZINC000261897291 135260586 /nfs/dbraw/zinc/26/05/86/135260586.db2.gz WDVNGVIZKORLFA-UHFFFAOYSA-N 1 0 245.317 2.292 20 30 BEEDRO CNC(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)=[NH+]C ZINC000261962890 135267484 /nfs/dbraw/zinc/26/74/84/135267484.db2.gz KQWRHLZLKIORLL-SDDRHHMPSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CCOc1ccccc1CN1C[C@H](C)[C@H]([NH3+])C1 ZINC000261988095 135269675 /nfs/dbraw/zinc/26/96/75/135269675.db2.gz JZPXYLJACUQCJU-GXTWGEPZSA-N 1 0 246.354 2.030 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H](COC)C1 ZINC000342573112 135290984 /nfs/dbraw/zinc/29/09/84/135290984.db2.gz UNJWKKJIQKESND-UONOGXRCSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H](COC)C1 ZINC000342573109 135291395 /nfs/dbraw/zinc/29/13/95/135291395.db2.gz UNJWKKJIQKESND-KBPBESRZSA-N 1 0 241.375 2.062 20 30 BEEDRO [NH2+]=C(NCCC1(F)CCC1)NC1CCCC1 ZINC000262325185 135293144 /nfs/dbraw/zinc/29/31/44/135293144.db2.gz SVYVTDJNHRMAAN-UHFFFAOYSA-N 1 0 227.327 2.116 20 30 BEEDRO C=CCNC(=[NH+]C)N1CCC2(C1)CCCCC2 ZINC000262435559 135296921 /nfs/dbraw/zinc/29/69/21/135296921.db2.gz GHWJPNSVUNGFNX-UHFFFAOYSA-N 1 0 235.375 2.404 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)[C@@H](CC)CO ZINC000342635396 135298750 /nfs/dbraw/zinc/29/87/50/135298750.db2.gz KAOWPXXAPSYZAM-HNNXBMFYSA-N 1 0 231.339 2.283 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262469040 135300748 /nfs/dbraw/zinc/30/07/48/135300748.db2.gz UCQFIGOJUZIYJC-DTWKUNHWSA-N 1 0 233.306 2.125 20 30 BEEDRO Cc1ccoc1CNC(=[NH2+])N1CCCCCC1 ZINC000262471903 135300829 /nfs/dbraw/zinc/30/08/29/135300829.db2.gz ADMOCZWZLFDEDO-UHFFFAOYSA-N 1 0 235.331 2.279 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCC(F)(F)C1)NC1CCCC1 ZINC000262479014 135302136 /nfs/dbraw/zinc/30/21/36/135302136.db2.gz VLJZFAMQYBZGGL-SECBINFHSA-N 1 0 245.317 2.269 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)C1CC1 ZINC000342689915 135305612 /nfs/dbraw/zinc/30/56/12/135305612.db2.gz FXHJMJDDUYGRMB-UHFFFAOYSA-N 1 0 200.285 2.347 20 30 BEEDRO C[C@H]1C[NH+]=C(NC[C@H](c2ccccc2)C2CC2)N1 ZINC000262638106 135310570 /nfs/dbraw/zinc/31/05/70/135310570.db2.gz ITQCSLANUIONDW-SMDDNHRTSA-N 1 0 243.354 2.118 20 30 BEEDRO C=CCC[N@@H+](C)CC1(O)CCC(C)CC1 ZINC000342739989 135310737 /nfs/dbraw/zinc/31/07/37/135310737.db2.gz XUNWOGFBUSURBK-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC2(C)CCC(C)CC2)N1 ZINC000262682250 135312748 /nfs/dbraw/zinc/31/27/48/135312748.db2.gz WTCOPMVNTSILAU-AKJDGMEZSA-N 1 0 223.364 2.140 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCCC(F)(F)C2)N1 ZINC000262690144 135313798 /nfs/dbraw/zinc/31/37/98/135313798.db2.gz FWJVUTSJMIMSRK-ZJUUUORDSA-N 1 0 245.317 2.139 20 30 BEEDRO [NH2+]=C(NCC1CC(F)(F)C1)N1CCCCCC1 ZINC000262708098 135314885 /nfs/dbraw/zinc/31/48/85/135314885.db2.gz NXTAVHDIHPRRSK-UHFFFAOYSA-N 1 0 245.317 2.222 20 30 BEEDRO CCSc1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262715244 135315687 /nfs/dbraw/zinc/31/56/87/135315687.db2.gz RPPITXHKERGITC-JTQLQIEISA-N 1 0 249.383 2.236 20 30 BEEDRO CC[NH+]=C(NCC(C)(C)SC)NC1CCC1 ZINC000262804948 135319244 /nfs/dbraw/zinc/31/92/44/135319244.db2.gz SFKDNJXPOYAVDI-UHFFFAOYSA-N 1 0 243.420 2.236 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC000342767074 135326623 /nfs/dbraw/zinc/32/66/23/135326623.db2.gz VZOFLFGWPOLUEE-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000263029889 135327081 /nfs/dbraw/zinc/32/70/81/135327081.db2.gz BBHKDQVEPOUUOQ-NWDGAFQWSA-N 1 0 223.364 2.268 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCC1(C)C ZINC000263039318 135328187 /nfs/dbraw/zinc/32/81/87/135328187.db2.gz CDXVINATVRMNDI-LLVKDONJSA-N 1 0 223.364 2.293 20 30 BEEDRO C[C@@H]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@@H]1C ZINC000263058339 135329976 /nfs/dbraw/zinc/32/99/76/135329976.db2.gz FGDRCLURXVZQST-UTUOFQBUSA-N 1 0 223.364 2.079 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@@]1(F)c1ccccc1)N(C)C ZINC000263054533 135330029 /nfs/dbraw/zinc/33/00/29/135330029.db2.gz LNYPEKNPDTUIGW-TZMCWYRMSA-N 1 0 249.333 2.103 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263066674 135330703 /nfs/dbraw/zinc/33/07/03/135330703.db2.gz GFDFFWWBZQTXDE-OLZOCXBDSA-N 1 0 237.391 2.484 20 30 BEEDRO CN(C(=[NH2+])N[C@@H]1C[C@@]1(F)c1ccccc1)C1CC1 ZINC000263078980 135331040 /nfs/dbraw/zinc/33/10/40/135331040.db2.gz RBPVCKFZEHVKDS-TZMCWYRMSA-N 1 0 247.317 2.033 20 30 BEEDRO Cc1ccccc1[C@H]1C[C@H](NC(=[NH2+])N2CCC2)C1 ZINC000263073273 135331294 /nfs/dbraw/zinc/33/12/94/135331294.db2.gz GYHFAPNEZILQOZ-JOCQHMNTSA-N 1 0 243.354 2.261 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000334277665 135333680 /nfs/dbraw/zinc/33/36/80/135333680.db2.gz OLDZYQMSYBWGNV-CYBMUJFWSA-N 1 0 227.311 2.469 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@@H]2C[C@H]2C(C)C)c1 ZINC000263122856 135333891 /nfs/dbraw/zinc/33/38/91/135333891.db2.gz MEILKXPKTXGEFE-QWHCGFSZSA-N 1 0 247.342 2.466 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2CCC2(C)C)C1 ZINC000263125039 135334305 /nfs/dbraw/zinc/33/43/05/135334305.db2.gz FEOJTISGSIPZAE-WDEREUQCSA-N 1 0 223.364 2.222 20 30 BEEDRO CC(C)(CNC(=[NH2+])NC1CCC1)C1CCC1 ZINC000263114900 135334392 /nfs/dbraw/zinc/33/43/92/135334392.db2.gz LIZUILISNSJNDW-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1NC(=[NH2+])N1CCCCCC1 ZINC000263135909 135334661 /nfs/dbraw/zinc/33/46/61/135334661.db2.gz NPELROJTGMPKNL-NWDGAFQWSA-N 1 0 223.364 2.222 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000263133781 135335175 /nfs/dbraw/zinc/33/51/75/135335175.db2.gz NKRPCWVRVLFRNX-JTQLQIEISA-N 1 0 249.383 2.190 20 30 BEEDRO [NH2+]=C(NCc1ccc(C2CC2)cc1F)N1CCC1 ZINC000263151203 135335348 /nfs/dbraw/zinc/33/53/48/135335348.db2.gz PNLPRHDTGBOISN-UHFFFAOYSA-N 1 0 247.317 2.224 20 30 BEEDRO CC(C)(CNC(=[NH2+])N1CCC1)C1=CCCC1 ZINC000263148204 135335600 /nfs/dbraw/zinc/33/56/00/135335600.db2.gz PBXNBCCBGXDMHV-UHFFFAOYSA-N 1 0 221.348 2.143 20 30 BEEDRO [NH2+]=C(NCc1ccc2sccc2c1)N1CCC1 ZINC000263207870 135339378 /nfs/dbraw/zinc/33/93/78/135339378.db2.gz YPCYSUASAKGTFQ-UHFFFAOYSA-N 1 0 245.351 2.422 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263235613 135341598 /nfs/dbraw/zinc/34/15/98/135341598.db2.gz DKELYEYDLIFEOT-UWVGGRQHSA-N 1 0 209.337 2.022 20 30 BEEDRO C[NH+]=C(NCC1CCC1)N1CCc2ccccc21 ZINC000263280328 135344392 /nfs/dbraw/zinc/34/43/92/135344392.db2.gz ZZULMBSHNWZRTL-UHFFFAOYSA-N 1 0 243.354 2.425 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(F)c(F)cc1F ZINC000273078394 135365626 /nfs/dbraw/zinc/36/56/26/135365626.db2.gz QBSJDIKFYQVPPC-UHFFFAOYSA-N 1 0 228.217 2.497 20 30 BEEDRO N#CCCC[NH2+]Cc1cccnc1Cl ZINC000273046321 135366213 /nfs/dbraw/zinc/36/62/13/135366213.db2.gz JMABUQBBOBHCSP-UHFFFAOYSA-N 1 0 209.680 2.128 20 30 BEEDRO Cc1cccc(C[NH2+]CCCC#N)c1O ZINC000273233309 135366218 /nfs/dbraw/zinc/36/62/18/135366218.db2.gz XHNYRKWMTDYQKT-UHFFFAOYSA-N 1 0 204.273 2.094 20 30 BEEDRO CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NCC#N ZINC000274830532 135366873 /nfs/dbraw/zinc/36/68/73/135366873.db2.gz JOLAQNPRVRGDPD-OAHLLOKOSA-N 1 0 245.370 2.256 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1cccnc1 ZINC000276350495 135367011 /nfs/dbraw/zinc/36/70/11/135367011.db2.gz WICQKFPYUSDLMZ-QWRGUYRKSA-N 1 0 203.289 2.424 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cn[nH]c1 ZINC000275131652 135367291 /nfs/dbraw/zinc/36/72/91/135367291.db2.gz CAGPHTUPIOVVOP-VIFPVBQESA-N 1 0 206.293 2.000 20 30 BEEDRO C=CCC[NH2+]C1(CC(=O)OC)CCCC1 ZINC000280449730 135368809 /nfs/dbraw/zinc/36/88/09/135368809.db2.gz NNJQZNCHYAUHEA-UHFFFAOYSA-N 1 0 211.305 2.028 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc(C)n(C)n1 ZINC000282253453 135370656 /nfs/dbraw/zinc/37/06/56/135370656.db2.gz QNKKFJRCTMWIFQ-GFCCVEGCSA-N 1 0 219.332 2.183 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)c1cccc(C)c1 ZINC000286026514 135372527 /nfs/dbraw/zinc/37/25/27/135372527.db2.gz IZXPOGUGHADCOT-AWEZNQCLSA-N 1 0 246.354 2.338 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)OC)cn1 ZINC000285977632 135372609 /nfs/dbraw/zinc/37/26/09/135372609.db2.gz LUNZOBIKLVGEQS-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H](C)CF)cc1 ZINC000288461003 135373545 /nfs/dbraw/zinc/37/35/45/135373545.db2.gz NXRUMCCVKMKHDX-LLVKDONJSA-N 1 0 221.275 2.146 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CCC=CO1)C(C)(C)C ZINC000290245859 135373604 /nfs/dbraw/zinc/37/36/04/135373604.db2.gz VDCYIJOLSXMOMA-NEPJUHHUSA-N 1 0 207.317 2.317 20 30 BEEDRO Cc1ccncc1CCC[NH2+]CCCC#N ZINC000290417180 135374770 /nfs/dbraw/zinc/37/47/70/135374770.db2.gz QQPORTMUJCPCGN-UHFFFAOYSA-N 1 0 217.316 2.216 20 30 BEEDRO CC#CC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292331231 135375846 /nfs/dbraw/zinc/37/58/46/135375846.db2.gz GBNOCRIDZPFGNH-ZWNOBZJWSA-N 1 0 235.352 2.363 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000294069288 135378287 /nfs/dbraw/zinc/37/82/87/135378287.db2.gz KSJHKWASYRJOGM-AXFHLTTASA-N 1 0 205.305 2.443 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)CCc1ccco1 ZINC000295037830 135378883 /nfs/dbraw/zinc/37/88/83/135378883.db2.gz PEOKTIKOAUNFEF-AWEZNQCLSA-N 1 0 248.370 2.145 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1cccs1 ZINC000295001214 135379043 /nfs/dbraw/zinc/37/90/43/135379043.db2.gz LZNKOKODWAUNGV-LBPRGKRZSA-N 1 0 236.384 2.354 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCc2ccccc21 ZINC000295115349 135379202 /nfs/dbraw/zinc/37/92/02/135379202.db2.gz XVMOVVCDFXRAJB-MRXNPFEDSA-N 1 0 242.366 2.219 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CC[C@@H](C)O)cc1 ZINC000078781587 135395679 /nfs/dbraw/zinc/39/56/79/135395679.db2.gz SZMMGPPLVDNEGR-GFCCVEGCSA-N 1 0 235.327 2.112 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@H](C)CO ZINC000164568160 135402855 /nfs/dbraw/zinc/40/28/55/135402855.db2.gz IEZNBAFCAJNUMJ-UTUOFQBUSA-N 1 0 232.327 2.226 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000335662364 135421291 /nfs/dbraw/zinc/42/12/91/135421291.db2.gz OPOZEMGFFBSTJZ-BTTYYORXSA-N 1 0 212.296 2.446 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CCOC1 ZINC000337217679 135428240 /nfs/dbraw/zinc/42/82/40/135428240.db2.gz JOSAGJCYJOLSQQ-WFASDCNBSA-N 1 0 244.338 2.267 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(C#N)c2)CCOC1 ZINC000344375988 135460924 /nfs/dbraw/zinc/46/09/24/135460924.db2.gz WUTALTPUMAHBCE-AWEZNQCLSA-N 1 0 230.311 2.074 20 30 BEEDRO N#CCCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000330464636 135474742 /nfs/dbraw/zinc/47/47/42/135474742.db2.gz VFPHSDPUEFMXAE-NSHDSACASA-N 1 0 223.320 2.460 20 30 BEEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1ncoc1C ZINC000330449812 135476850 /nfs/dbraw/zinc/47/68/50/135476850.db2.gz ZQXZPBQAXIFAJJ-VIFPVBQESA-N 1 0 239.319 2.018 20 30 BEEDRO Cn1ccc(C[NH2+]Cc2cc(C#N)cs2)c1 ZINC000165171938 135487733 /nfs/dbraw/zinc/48/77/33/135487733.db2.gz RUHCIVHIPKYVKI-UHFFFAOYSA-N 1 0 231.324 2.248 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000183842889 135590622 /nfs/dbraw/zinc/59/06/22/135590622.db2.gz QUBOPVTXCJZXES-VXGBXAGGSA-N 1 0 248.374 2.305 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1nnc(C)s1 ZINC000289811192 135623362 /nfs/dbraw/zinc/62/33/62/135623362.db2.gz ONRLSIJHXKIJOB-SECBINFHSA-N 1 0 225.361 2.333 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)cc1 ZINC000289840698 135625306 /nfs/dbraw/zinc/62/53/06/135625306.db2.gz OYCUMFKNDRUUSS-CHWSQXEVSA-N 1 0 247.338 2.212 20 30 BEEDRO Cc1cc(C#N)cc(NCC2([NH+](C)C)CCC2)n1 ZINC000097932706 135633528 /nfs/dbraw/zinc/63/35/28/135633528.db2.gz REBUWASNBNODQO-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C#CCC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292357771 135654444 /nfs/dbraw/zinc/65/44/44/135654444.db2.gz HYTKJEAABVVVKG-GXFFZTMASA-N 1 0 235.352 2.363 20 30 BEEDRO C=CCN(CC=C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000195328564 135664915 /nfs/dbraw/zinc/66/49/15/135664915.db2.gz PLCRBLATFBPCBJ-UHFFFAOYSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000345272660 135892074 /nfs/dbraw/zinc/89/20/74/135892074.db2.gz SOHRMZYEEPWIHM-GXTWGEPZSA-N 1 0 249.354 2.014 20 30 BEEDRO N#CCCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000366926063 135907655 /nfs/dbraw/zinc/90/76/55/135907655.db2.gz IUICBFPAKLCOSH-HNNXBMFYSA-N 1 0 244.338 2.104 20 30 BEEDRO C=CCOc1cccc(CN2CC[C@H]([NH2+]C)C2)c1 ZINC000346659623 135945975 /nfs/dbraw/zinc/94/59/75/135945975.db2.gz VCLGHLSHYBUOFP-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000348065098 136025554 /nfs/dbraw/zinc/02/55/54/136025554.db2.gz YXGKBOYRBJBDGA-CQSZACIVSA-N 1 0 249.358 2.150 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@H](COCC)C1 ZINC000348048571 136030409 /nfs/dbraw/zinc/03/04/09/136030409.db2.gz MZPIEQYRTZEVRH-AWEZNQCLSA-N 1 0 241.375 2.328 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000348052746 136030922 /nfs/dbraw/zinc/03/09/22/136030922.db2.gz SMFHXSOPONFGHQ-TXEJJXNPSA-N 1 0 209.333 2.167 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@](CC)(CO)C1 ZINC000348085227 136035008 /nfs/dbraw/zinc/03/50/08/136035008.db2.gz LXWOBIFQPKHUOQ-AWEZNQCLSA-N 1 0 241.375 2.064 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000348195867 136050752 /nfs/dbraw/zinc/05/07/52/136050752.db2.gz ZJCHBDCVJXWYLZ-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000348195368 136051097 /nfs/dbraw/zinc/05/10/97/136051097.db2.gz WCNTWMXDNHKIGU-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO CC1=C[C@@H](C)C[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335331401 136053792 /nfs/dbraw/zinc/05/37/92/136053792.db2.gz JYZIQQMNDGYGTE-LLVKDONJSA-N 1 0 229.327 2.295 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)s1 ZINC000348235798 136061604 /nfs/dbraw/zinc/06/16/04/136061604.db2.gz XIVGPRVCMJOLQI-RKDXNWHRSA-N 1 0 228.267 2.363 20 30 BEEDRO C=CCCC[N@H+]1CCN(CC)[C@H](c2ncc[nH]2)C1 ZINC000348364168 136073208 /nfs/dbraw/zinc/07/32/08/136073208.db2.gz FRHPAAGOZQGXLQ-ZDUSSCGKSA-N 1 0 248.374 2.055 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CO1 ZINC000335391556 136090922 /nfs/dbraw/zinc/09/09/22/136090922.db2.gz YSIXKMHWCDYDTF-QCXCNERSSA-N 1 0 222.332 2.226 20 30 BEEDRO N#Cc1cccc(CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000335564245 136106957 /nfs/dbraw/zinc/10/69/57/136106957.db2.gz ZIMNBMWLRWPLDK-HUUCEWRRSA-N 1 0 243.354 2.308 20 30 BEEDRO N#Cc1cccc(CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000335564243 136107045 /nfs/dbraw/zinc/10/70/45/136107045.db2.gz ZIMNBMWLRWPLDK-CABCVRRESA-N 1 0 243.354 2.308 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172499537 974851851 /nfs/dbraw/zinc/85/18/51/974851851.db2.gz DSDDUJDBXMQMHA-NEPJUHHUSA-N 1 0 205.305 2.304 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172499232 974852185 /nfs/dbraw/zinc/85/21/85/974852185.db2.gz CAICJSQTTBWAOA-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]CCCSCC#N ZINC000181455973 397806830 /nfs/dbraw/zinc/80/68/30/397806830.db2.gz DLIAXRYOXGUWNR-NSHDSACASA-N 1 0 244.404 2.020 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccn(C)n1)C1CC1 ZINC000309510190 397861191 /nfs/dbraw/zinc/86/11/91/397861191.db2.gz OZPHNIDVKJCFLD-ZDUSSCGKSA-N 1 0 219.332 2.255 20 30 BEEDRO N#CCC[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000591765327 397934622 /nfs/dbraw/zinc/93/46/22/397934622.db2.gz QMLZKYLGHSJOTN-UHFFFAOYSA-N 1 0 213.284 2.214 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000448704446 397940088 /nfs/dbraw/zinc/94/00/88/397940088.db2.gz LPCSDIGHCGIRGI-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444721003 397943452 /nfs/dbraw/zinc/94/34/52/397943452.db2.gz UZUNSGXFXORHJQ-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151530 397944811 /nfs/dbraw/zinc/94/48/11/397944811.db2.gz NAYXMDAQODPIHF-QWHCGFSZSA-N 1 0 222.332 2.082 20 30 BEEDRO C[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)C(C)(C)C ZINC000592523283 397950873 /nfs/dbraw/zinc/95/08/73/397950873.db2.gz XRGFRFBZFLZPIN-WCQYABFASA-N 1 0 224.348 2.019 20 30 BEEDRO N#CCCC[NH2+]Cc1cc2cccnc2o1 ZINC000449231715 397952352 /nfs/dbraw/zinc/95/23/52/397952352.db2.gz FQPOQHKZERAGRF-UHFFFAOYSA-N 1 0 215.256 2.221 20 30 BEEDRO CCC#C[C@@H](C)N1CC[NH+]([C@H](C)CC)CC1 ZINC000650179591 397958237 /nfs/dbraw/zinc/95/82/37/397958237.db2.gz IRYZOOSUEQLJNA-ZIAGYGMSSA-N 1 0 222.376 2.204 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCOCC2CCC2)C1 ZINC000595623271 397993233 /nfs/dbraw/zinc/99/32/33/397993233.db2.gz LOTPSIHROPIHRX-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO CC[C@H](C(=O)Nc1cccc(CC#N)c1)[NH+](C)C ZINC000456749599 397994254 /nfs/dbraw/zinc/99/42/54/397994254.db2.gz LAAYAGQZEAJKIH-CYBMUJFWSA-N 1 0 245.326 2.031 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccccc1C)C(C)C ZINC000491508422 398045357 /nfs/dbraw/zinc/04/53/57/398045357.db2.gz ZUYSKWFXCQMBED-LSDHHAIUSA-N 1 0 231.339 2.276 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000649635680 398016401 /nfs/dbraw/zinc/01/64/01/398016401.db2.gz JGJXBGNPTGHDSA-CYBMUJFWSA-N 1 0 219.332 2.486 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000649635681 398016557 /nfs/dbraw/zinc/01/65/57/398016557.db2.gz JGJXBGNPTGHDSA-ZDUSSCGKSA-N 1 0 219.332 2.486 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298685564 398023404 /nfs/dbraw/zinc/02/34/04/398023404.db2.gz BRNDQHLFXLNEIY-UHFFFAOYSA-N 1 0 228.339 2.350 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375433204 398023744 /nfs/dbraw/zinc/02/37/44/398023744.db2.gz MVTYZHYEIZKVRG-GFCCVEGCSA-N 1 0 245.326 2.150 20 30 BEEDRO C#CC[N@H+](CC)CCCC(=O)OC(C)(C)C ZINC000490935877 398029459 /nfs/dbraw/zinc/02/94/59/398029459.db2.gz OUUSMDPBQVFTIK-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO CCC#C[C@H](C)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000649664772 398029830 /nfs/dbraw/zinc/02/98/30/398029830.db2.gz FDEYYWLRZAJBSS-KBPBESRZSA-N 1 0 234.387 2.204 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598594434 398031684 /nfs/dbraw/zinc/03/16/84/398031684.db2.gz HMGQJKHRMUZLON-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649670560 398032180 /nfs/dbraw/zinc/03/21/80/398032180.db2.gz QKVCLYKNFXGJLI-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCc1cnccc1C ZINC000491264956 398034702 /nfs/dbraw/zinc/03/47/02/398034702.db2.gz IYFJDMAYPFNMLM-UHFFFAOYSA-N 1 0 240.350 2.281 20 30 BEEDRO C#CC[N@@H+](CC(C)(C)CCC#N)C1CC1 ZINC000491276503 398036074 /nfs/dbraw/zinc/03/60/74/398036074.db2.gz JKNFDSGTKIJUHT-UHFFFAOYSA-N 1 0 204.317 2.414 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)C(C)(C)C ZINC000491407454 398040622 /nfs/dbraw/zinc/04/06/22/398040622.db2.gz RHFDBVRFLLWOTI-YFKTTZPYSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[N@@H+]1Cc2ccccc2[C@@H](C(=O)OC)C1 ZINC000599680228 398042013 /nfs/dbraw/zinc/04/20/13/398042013.db2.gz LKNYASVBWHBYJO-AWEZNQCLSA-N 1 0 245.322 2.335 20 30 BEEDRO C[C@@H]1[C@H](O)CC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000650190273 397973543 /nfs/dbraw/zinc/97/35/43/397973543.db2.gz KBIBJLMTBOPSKP-BXUZGUMPSA-N 1 0 249.741 2.147 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CO1 ZINC000595047151 397979729 /nfs/dbraw/zinc/97/97/29/397979729.db2.gz AOUGYWUCSUXHKK-TUAOUCFPSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](CSCCF)[NH2+]CC1(CC#N)CC1 ZINC000595055372 397981084 /nfs/dbraw/zinc/98/10/84/397981084.db2.gz XNHTUUCZEVLFDY-JTQLQIEISA-N 1 0 230.352 2.361 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000650210134 397987073 /nfs/dbraw/zinc/98/70/73/397987073.db2.gz CJLKVOQVDPAYGA-NEPJUHHUSA-N 1 0 219.332 2.356 20 30 BEEDRO COC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185854939 398061149 /nfs/dbraw/zinc/06/11/49/398061149.db2.gz KSTSWDFTRBTIAC-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](CC#N)NCc1ccc2c(c1)OCCO2 ZINC000054182888 398064527 /nfs/dbraw/zinc/06/45/27/398064527.db2.gz ZKEYTHIFUUILTL-GFCCVEGCSA-N 1 0 246.310 2.240 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](CC)OC[C@@H]1CC ZINC000649721518 398064901 /nfs/dbraw/zinc/06/49/01/398064901.db2.gz ZGYJXSAQTARRJP-MELADBBJSA-N 1 0 241.375 2.203 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000186428478 398066259 /nfs/dbraw/zinc/06/62/59/398066259.db2.gz PZJOFTROCFQWBW-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)C(C)C ZINC000491767544 398067104 /nfs/dbraw/zinc/06/71/04/398067104.db2.gz HUCROTBQRYCPJX-AWEZNQCLSA-N 1 0 228.339 2.318 20 30 BEEDRO C#CC[N@H+](Cc1cccc2c[nH]nc21)C1CC1 ZINC000491793414 398071226 /nfs/dbraw/zinc/07/12/26/398071226.db2.gz KWSQWIDPPSYJOP-UHFFFAOYSA-N 1 0 225.295 2.161 20 30 BEEDRO C#CC[N@@H+](CC1(CC(=O)OC)CC1)C1CCCC1 ZINC000491793461 398071252 /nfs/dbraw/zinc/07/12/52/398071252.db2.gz LJFYBMDUCABBPA-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813096 398071306 /nfs/dbraw/zinc/07/13/06/398071306.db2.gz ZRUQSRQRNFQYEP-CHWSQXEVSA-N 1 0 235.375 2.165 20 30 BEEDRO C=C(C)C[NH+]1CCN(Cc2ccc(O)cc2)CC1 ZINC000640109686 398072402 /nfs/dbraw/zinc/07/24/02/398072402.db2.gz BVPGFGNDTFGFFI-UHFFFAOYSA-N 1 0 246.354 2.086 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000602481337 398075514 /nfs/dbraw/zinc/07/55/14/398075514.db2.gz AZKQRFLJPGFNTJ-UPJWGTAASA-N 1 0 224.348 2.019 20 30 BEEDRO COc1cccc(C)c1C[NH2+]CCCC#N ZINC000602604313 398077247 /nfs/dbraw/zinc/07/72/47/398077247.db2.gz KZBXFTVIPCMLLP-UHFFFAOYSA-N 1 0 218.300 2.397 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)C1 ZINC000602694417 398077757 /nfs/dbraw/zinc/07/77/57/398077757.db2.gz MLKMUVMICKJHTJ-GXSJLCMTSA-N 1 0 233.290 2.190 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC23CCCC3)n1 ZINC000602699780 398078398 /nfs/dbraw/zinc/07/83/98/398078398.db2.gz OIKHBYZDNYJIKI-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C=CCCSCC[NH2+]C[C@@H](OC)C1CC1 ZINC000602709908 398079278 /nfs/dbraw/zinc/07/92/78/398079278.db2.gz KAOWCRFFLXHEMW-GFCCVEGCSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCOCCC[NH2+]C1CCC(C#N)CC1 ZINC000602709610 398079347 /nfs/dbraw/zinc/07/93/47/398079347.db2.gz GUNBYNGLYINIEK-UHFFFAOYSA-N 1 0 222.332 2.251 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)s1)C1CC1 ZINC000292889487 398084823 /nfs/dbraw/zinc/08/48/23/398084823.db2.gz CVTSXMGIDFILMK-LBPRGKRZSA-N 1 0 236.340 2.134 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000650313299 398101800 /nfs/dbraw/zinc/10/18/00/398101800.db2.gz IGUBXWBVAUCIMW-CAEXGNQWSA-N 1 0 235.371 2.291 20 30 BEEDRO N#CCC[C@H](C#N)C[NH+]1C2CCC1CC2 ZINC000522138267 398110497 /nfs/dbraw/zinc/11/04/97/398110497.db2.gz VSJNYCQJZQEEJZ-VOMCLLRMSA-N 1 0 203.289 2.057 20 30 BEEDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000266197279 398123773 /nfs/dbraw/zinc/12/37/73/398123773.db2.gz IFGIPGDPKMUVOJ-AWEZNQCLSA-N 1 0 243.354 2.336 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000398107947 322864650 /nfs/dbraw/zinc/86/46/50/322864650.db2.gz LNJDUNCOYIFNCC-IHRRRGAJSA-N 1 0 240.391 2.088 20 30 BEEDRO CC[C@H](CC#N)N1CC[C@H]([NH+](CC)CC)C1 ZINC000062979875 1172793711 /nfs/dbraw/zinc/79/37/11/1172793711.db2.gz KBELVCFZBRDLET-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@@H](C)[C@H](C)CC)CC1 ZINC001648149214 1172801090 /nfs/dbraw/zinc/80/10/90/1172801090.db2.gz YYPQAYABAPBPEK-OLZOCXBDSA-N 1 0 223.360 2.271 20 30 BEEDRO CC[N@H+](CCN1CCCC1)[C@@H](C)CCCC#N ZINC001172504008 974855562 /nfs/dbraw/zinc/85/55/62/974855562.db2.gz DMOCIGKUWQYKLS-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO C#CCC[NH2+][C@@]1(CO)CC[C@H](C)c2ccccc21 ZINC001648616826 1172854872 /nfs/dbraw/zinc/85/48/72/1172854872.db2.gz HDUYKDGVKFDNBI-XJKSGUPXSA-N 1 0 243.350 2.384 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H]2CCN(CC=C)C2=O)C1 ZINC000661380183 487560842 /nfs/dbraw/zinc/56/08/42/487560842.db2.gz BUNQCSLOIDAVJF-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC=C)C2=O)C1 ZINC000661380185 487560926 /nfs/dbraw/zinc/56/09/26/487560926.db2.gz BUNQCSLOIDAVJF-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO CC(C)(C#N)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000087595608 322885887 /nfs/dbraw/zinc/88/58/87/322885887.db2.gz RJNOSRDGKNMTJR-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C1(C)CCC1 ZINC001649451269 1172874231 /nfs/dbraw/zinc/87/42/31/1172874231.db2.gz CFUISQDUOVEVIF-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCC ZINC001649452029 1172876244 /nfs/dbraw/zinc/87/62/44/1172876244.db2.gz GIUCPQMCMFVLIV-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CC(C)OCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000336673524 167212240 /nfs/dbraw/zinc/21/22/40/167212240.db2.gz KTUBAZUTJORZMN-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1c(C)noc1C ZINC000680381779 487580333 /nfs/dbraw/zinc/58/03/33/487580333.db2.gz LFGLCNFUQYSDNR-BXKDBHETSA-N 1 0 238.331 2.269 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2cncs2)c1 ZINC001651212842 1172933812 /nfs/dbraw/zinc/93/38/12/1172933812.db2.gz GIBSTMZXXLNLHZ-UHFFFAOYSA-N 1 0 228.320 2.414 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2[nH]nc3ccccc32)C1 ZINC001651245564 1172935024 /nfs/dbraw/zinc/93/50/24/1172935024.db2.gz CARYBTAOWPHXEK-WDEREUQCSA-N 1 0 240.310 2.345 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](CC)CC1 ZINC000393874974 487587333 /nfs/dbraw/zinc/58/73/33/487587333.db2.gz FVVXIXMLVOLQQB-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001651554871 1172960559 /nfs/dbraw/zinc/96/05/59/1172960559.db2.gz XWAYVYKOSMFCQM-QXSJWSMHSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCCCC[NH2+]Cc1nc(C)cs1 ZINC000150738064 166126929 /nfs/dbraw/zinc/12/69/29/166126929.db2.gz VJYKZJOEKJNAHV-UHFFFAOYSA-N 1 0 208.330 2.345 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc(O)c1 ZINC000150735220 166126996 /nfs/dbraw/zinc/12/69/96/166126996.db2.gz ABQAJVHHBKHHSS-UHFFFAOYSA-N 1 0 203.285 2.285 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](CO)c1ccc(OC)cc1 ZINC000271048578 166128163 /nfs/dbraw/zinc/12/81/63/166128163.db2.gz OZMPXHQRVWGMCS-HNNXBMFYSA-N 1 0 247.338 2.074 20 30 BEEDRO C#CCCC[N@@H+](C)CCc1nccs1 ZINC000271084235 166129061 /nfs/dbraw/zinc/12/90/61/166129061.db2.gz YXKFFXJHZPXSDK-UHFFFAOYSA-N 1 0 208.330 2.031 20 30 BEEDRO C#CCCC[N@@H+](CCOC)Cc1ccco1 ZINC000271010108 166129442 /nfs/dbraw/zinc/12/94/42/166129442.db2.gz HSMWXGINZOLYRZ-UHFFFAOYSA-N 1 0 221.300 2.141 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000270992742 166130731 /nfs/dbraw/zinc/13/07/31/166130731.db2.gz DZHOQFUGDMQETL-GFCCVEGCSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CC[N@@H+](Cc1cccc2c1OCC2)CC1CC1 ZINC001651885342 1173001858 /nfs/dbraw/zinc/00/18/58/1173001858.db2.gz AKGJBHRWRWFWDV-UHFFFAOYSA-N 1 0 241.334 2.467 20 30 BEEDRO C#CCCC[NH2+][C@@H](CCO)c1ccccc1 ZINC000271666687 166132277 /nfs/dbraw/zinc/13/22/77/166132277.db2.gz MGJFGQQBWUKJPD-AWEZNQCLSA-N 1 0 217.312 2.113 20 30 BEEDRO C#CCCC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000273224925 166133096 /nfs/dbraw/zinc/13/30/96/166133096.db2.gz CLLBEHFNARLBQX-WMLDXEAASA-N 1 0 249.379 2.109 20 30 BEEDRO C#CCC[N@@H+](C)CCCc1nccn1CCC ZINC000277296323 166134988 /nfs/dbraw/zinc/13/49/88/166134988.db2.gz TYFSOJWHEZDCJM-UHFFFAOYSA-N 1 0 233.359 2.181 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000268704280 166135404 /nfs/dbraw/zinc/13/54/04/166135404.db2.gz KZGCVQKADKEFKO-AWEZNQCLSA-N 1 0 217.312 2.065 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccccc2)CCC[NH2+]1 ZINC000662432311 409715327 /nfs/dbraw/zinc/71/53/27/409715327.db2.gz PJBPIORWLBWPJD-CQSZACIVSA-N 1 0 230.311 2.323 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cccnc2C)CCC[NH2+]1 ZINC000662674064 409830075 /nfs/dbraw/zinc/83/00/75/409830075.db2.gz YARSTYNAJKQNIX-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000393446003 410000601 /nfs/dbraw/zinc/00/06/01/410000601.db2.gz ALCGWWZKNURIRP-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CC(C(F)F)C1 ZINC001172506415 974860111 /nfs/dbraw/zinc/86/01/11/974860111.db2.gz TYHRERBMUDRQJK-MRVPVSSYSA-N 1 0 202.248 2.266 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)C(C)(C)CC)C1=O ZINC000661231947 410382932 /nfs/dbraw/zinc/38/29/32/410382932.db2.gz SMOCAKYYNNRHDX-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](C[C@H](OC)C1CCC1)[C@@H](C)COC ZINC000661240986 410399204 /nfs/dbraw/zinc/39/92/04/410399204.db2.gz UUPLEYSIVYPGHP-JSGCOSHPSA-N 1 0 241.375 2.324 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000274187000 166171105 /nfs/dbraw/zinc/17/11/05/166171105.db2.gz PPUTZKREVAQONX-UHFFFAOYSA-N 1 0 228.270 2.295 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179740025 166191206 /nfs/dbraw/zinc/19/12/06/166191206.db2.gz VJYVXMHSXWXRBB-OAHLLOKOSA-N 1 0 243.306 2.132 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC000019875702 166191395 /nfs/dbraw/zinc/19/13/95/166191395.db2.gz CJJRICFHLJQWBP-VIFPVBQESA-N 1 0 207.248 2.118 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cc(F)ccc1OC ZINC000068990380 166192359 /nfs/dbraw/zinc/19/23/59/166192359.db2.gz PAMOFNQAGIHMBU-SECBINFHSA-N 1 0 207.248 2.118 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C[C@H](C)COC)cc1 ZINC000172115883 166198901 /nfs/dbraw/zinc/19/89/01/166198901.db2.gz SBGJVANPARPDOR-ZDUSSCGKSA-N 1 0 247.338 2.071 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000152941252 166203002 /nfs/dbraw/zinc/20/30/02/166203002.db2.gz RMVVVWQCNDZDHS-UHFFFAOYSA-N 1 0 247.363 2.078 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(F)cc1F ZINC000152938512 166203087 /nfs/dbraw/zinc/20/30/87/166203087.db2.gz XKONNXNORLDUFA-UHFFFAOYSA-N 1 0 241.306 2.421 20 30 BEEDRO C#CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000271468126 166204662 /nfs/dbraw/zinc/20/46/62/166204662.db2.gz IBZFNDVOCADKQF-ZIAGYGMSSA-N 1 0 215.296 2.130 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H](O)CSC)c1ccccc1 ZINC000275189798 166205545 /nfs/dbraw/zinc/20/55/45/166205545.db2.gz ORRCDSAHNYHTEP-ZIAGYGMSSA-N 1 0 249.379 2.065 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC000271713591 166205750 /nfs/dbraw/zinc/20/57/50/166205750.db2.gz OSRJNQKLHBGRLN-ZIAGYGMSSA-N 1 0 217.312 2.112 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CC2CCC2)n1 ZINC000279747961 166207478 /nfs/dbraw/zinc/20/74/78/166207478.db2.gz PWOSSBWGVYZCGU-UHFFFAOYSA-N 1 0 231.343 2.138 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000289562089 166211938 /nfs/dbraw/zinc/21/19/38/166211938.db2.gz RUYGTGWNSULYHD-QWHCGFSZSA-N 1 0 201.313 2.477 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccccc1OC(F)F ZINC000166470414 166216885 /nfs/dbraw/zinc/21/68/85/166216885.db2.gz ZNFSJOZDYFWODI-VIFPVBQESA-N 1 0 225.238 2.399 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(OCC=C)c1 ZINC000289339503 166217395 /nfs/dbraw/zinc/21/73/95/166217395.db2.gz HPSRTLRFIWNCLF-LBPRGKRZSA-N 1 0 215.296 2.363 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(OC)ccc1OC)C(C)C ZINC000289579720 166219512 /nfs/dbraw/zinc/21/95/12/166219512.db2.gz TUSGHHHSAUJIGT-AWEZNQCLSA-N 1 0 247.338 2.451 20 30 BEEDRO C=CCCC[N@@H+](C)CCn1ccnc1C ZINC000270836058 166232615 /nfs/dbraw/zinc/23/26/15/166232615.db2.gz DXWDFNFSLKXODH-UHFFFAOYSA-N 1 0 207.321 2.090 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000157116354 166233196 /nfs/dbraw/zinc/23/31/96/166233196.db2.gz RXHWYELOGSUKAJ-CQSZACIVSA-N 1 0 246.354 2.154 20 30 BEEDRO C=CCCC[NH+]1CCN(c2cccc(O)c2)CC1 ZINC000118000266 166234146 /nfs/dbraw/zinc/23/41/46/166234146.db2.gz PMFQZVVAOAYSGI-UHFFFAOYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=CCCC[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000265442470 166234184 /nfs/dbraw/zinc/23/41/84/166234184.db2.gz IQECSGDRWCYTOJ-UHFFFAOYSA-N 1 0 249.358 2.067 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000279198495 166241928 /nfs/dbraw/zinc/24/19/28/166241928.db2.gz USYCSAGIAVYYSX-UHFFFAOYSA-N 1 0 232.327 2.102 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc2nccn21 ZINC000279182523 166242127 /nfs/dbraw/zinc/24/21/27/166242127.db2.gz SANXPTLLPOBKQZ-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCc2c1cnn2C ZINC000279848956 166244442 /nfs/dbraw/zinc/24/44/42/166244442.db2.gz DEYOPKLNBHQXKE-LBPRGKRZSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000309140734 166244445 /nfs/dbraw/zinc/24/44/45/166244445.db2.gz SYBLDWBZWZISLW-WCQYABFASA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)N(CC)CC(=C)C ZINC000276506947 166258340 /nfs/dbraw/zinc/25/83/40/166258340.db2.gz WZYLPNYXDFTDNY-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CCC[NH+]1CCN(c2ncc(C)s2)CC1 ZINC000267399622 166263406 /nfs/dbraw/zinc/26/34/06/166263406.db2.gz FQHZUPBRSWQBTM-UHFFFAOYSA-N 1 0 237.372 2.150 20 30 BEEDRO C=CCC[N@H+]1CCc2ccc(C(=O)OC)cc2C1 ZINC000271288698 166265486 /nfs/dbraw/zinc/26/54/86/166265486.db2.gz BUXMZNSPMJAOOA-UHFFFAOYSA-N 1 0 245.322 2.407 20 30 BEEDRO C=CCC[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000338539279 166266238 /nfs/dbraw/zinc/26/62/38/166266238.db2.gz GCQRLNHAUVABPO-CYBMUJFWSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273103873 166267236 /nfs/dbraw/zinc/26/72/36/166267236.db2.gz MQJHJZPDEHMNHX-NSHDSACASA-N 1 0 227.254 2.164 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cccnc1 ZINC000155628182 166270812 /nfs/dbraw/zinc/27/08/12/166270812.db2.gz ZHIJBJPIZJAOMR-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)C1CC1)C1CC1 ZINC000336781067 166295464 /nfs/dbraw/zinc/29/54/64/166295464.db2.gz TVYOWBVCDOIHSX-KGLIPLIRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)COC)c1ccccc1 ZINC000178760453 166295886 /nfs/dbraw/zinc/29/58/86/166295886.db2.gz ZLEKFLHUXAVVCH-HUUCEWRRSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2sccc2C1 ZINC000268690560 166296990 /nfs/dbraw/zinc/29/69/90/166296990.db2.gz ZTJKDCJTMQFHBL-GFCCVEGCSA-N 1 0 237.368 2.433 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C)CC1 ZINC000305057197 166297627 /nfs/dbraw/zinc/29/76/27/166297627.db2.gz FLIJLUVTVCBOHO-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CCc2nccn2C1 ZINC000275475079 166300228 /nfs/dbraw/zinc/30/02/28/166300228.db2.gz HXYVFEXCIHJCIS-QWHCGFSZSA-N 1 0 233.359 2.390 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(C)(C)OCCO)C1CC1 ZINC000352525415 166301402 /nfs/dbraw/zinc/30/14/02/166301402.db2.gz GJZQQZMEAPADRK-ZDUSSCGKSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(=O)NC)c1ccccc1 ZINC000269459785 166301771 /nfs/dbraw/zinc/30/17/71/166301771.db2.gz XPNFHXAVVUYAOA-ZDUSSCGKSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000193527194 166320700 /nfs/dbraw/zinc/32/07/00/166320700.db2.gz QUEPJPHVUGBSRL-UHFFFAOYSA-N 1 0 221.300 2.322 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000072711825 166322960 /nfs/dbraw/zinc/32/29/60/166322960.db2.gz IIUBUSAJPDEHDZ-GFCCVEGCSA-N 1 0 242.326 2.446 20 30 BEEDRO C=CCN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000264755190 166323339 /nfs/dbraw/zinc/32/33/39/166323339.db2.gz XRHBFDHCDATJKY-OAHLLOKOSA-N 1 0 230.355 2.379 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccccc1OCCOC ZINC000154793820 166324156 /nfs/dbraw/zinc/32/41/56/166324156.db2.gz TWSUTQDQPCWAKN-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CCN(CC=C)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019503607 166329261 /nfs/dbraw/zinc/32/92/61/166329261.db2.gz RHKRTOXEVBVDOX-CQSZACIVSA-N 1 0 244.338 2.277 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CCC(C)(C)O1 ZINC000189421839 166341152 /nfs/dbraw/zinc/34/11/52/166341152.db2.gz QDBKQDWVWTYKNY-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1nnc(C)o1 ZINC000272317249 166345006 /nfs/dbraw/zinc/34/50/06/166345006.db2.gz SUDQLHBWWOANCR-UHFFFAOYSA-N 1 0 247.298 2.202 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 ZINC000175993144 166351950 /nfs/dbraw/zinc/35/19/50/166351950.db2.gz BUIUYIAWJNYHII-ILXRZTDVSA-N 1 0 246.398 2.439 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cccnc2C#N)CC1 ZINC000277913817 166351967 /nfs/dbraw/zinc/35/19/67/166351967.db2.gz SFXMAZHZKUYXDB-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO C=CC[N@H+]1CCc2c(cccc2OC)C1 ZINC000272882199 166358223 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/nfs/dbraw/zinc/71/32/32/410713232.db2.gz SAVIIIIZMWJUKO-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[N@H+](CCC#N)CC1(COC)CCC1 ZINC000308879912 410784553 /nfs/dbraw/zinc/78/45/53/410784553.db2.gz DWMGNHWRMDFZSH-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000655489008 410795300 /nfs/dbraw/zinc/79/53/00/410795300.db2.gz LJSOOLLNTLMKNI-CYBMUJFWSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCC[C@@H](N[C@H](C)C[NH2+]C)c1ccco1 ZINC000665298599 410831349 /nfs/dbraw/zinc/83/13/49/410831349.db2.gz YSLOYYHFCKXSIY-VXGBXAGGSA-N 1 0 222.332 2.484 20 30 BEEDRO CC(C)OCCC[NH2+]Cc1ccc(C#N)o1 ZINC000135480629 167223117 /nfs/dbraw/zinc/22/31/17/167223117.db2.gz YRMVENSQDKYFTG-UHFFFAOYSA-N 1 0 222.288 2.056 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](CO)CCF)C1 ZINC000652016869 410979461 /nfs/dbraw/zinc/97/94/61/410979461.db2.gz ILTNJUDLAFRVSR-WOPDTQHZSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CCF ZINC000652019082 410999612 /nfs/dbraw/zinc/99/96/12/410999612.db2.gz JITWKCFGHKITTI-QWRGUYRKSA-N 1 0 203.301 2.041 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCOCCOC)C1 ZINC000651670130 411133452 /nfs/dbraw/zinc/13/34/52/411133452.db2.gz WUQPRPKQNVSMFO-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2CCN(C)CC2)C1 ZINC000651669393 411133583 /nfs/dbraw/zinc/13/35/83/411133583.db2.gz SCMBKONVKZOIFK-OCCSQVGLSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000651682965 411135647 /nfs/dbraw/zinc/13/56/47/411135647.db2.gz MZZVKPZDSFXHPD-WCQYABFASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCn2cncn2)C1 ZINC000651703368 411137370 /nfs/dbraw/zinc/13/73/70/411137370.db2.gz WKDCFNVACPEJSW-QWHCGFSZSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCn2cncn2)C1 ZINC000651703366 411137395 /nfs/dbraw/zinc/13/73/95/411137395.db2.gz WKDCFNVACPEJSW-CHWSQXEVSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@](C)(O)CCOC)C1 ZINC000651712412 411138302 /nfs/dbraw/zinc/13/83/02/411138302.db2.gz DOBBRHMMMIURCZ-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CCCO)C1 ZINC000651738420 411140465 /nfs/dbraw/zinc/14/04/65/411140465.db2.gz MJCMIVRHZQJADH-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CO)C1 ZINC000651741869 411140479 /nfs/dbraw/zinc/14/04/79/411140479.db2.gz XKRRYKJVTQRJDV-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@](C)(CC)CO)C1 ZINC000651749592 411140663 /nfs/dbraw/zinc/14/06/63/411140663.db2.gz BPKMMMSLWVTEAU-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000651753620 411141222 /nfs/dbraw/zinc/14/12/22/411141222.db2.gz YULNAHJAZKEXRV-IGQOVBAYSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CCOCC[NH2+][C@@H](COC)CC(C)(C)C ZINC000651757912 411141593 /nfs/dbraw/zinc/14/15/93/411141593.db2.gz HQEZFFDBUCVPBM-GFCCVEGCSA-N 1 0 229.364 2.230 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000651759802 411141971 /nfs/dbraw/zinc/14/19/71/411141971.db2.gz CVGHMJSFKUYADB-CHWSQXEVSA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCCC[C@H]1C ZINC000651761398 411142360 /nfs/dbraw/zinc/14/23/60/411142360.db2.gz QUHISAQNQGHLMF-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)C1 ZINC000651767939 411142686 /nfs/dbraw/zinc/14/26/86/411142686.db2.gz RNYBYIKTBUSIKF-VOAKCMCISA-N 1 0 223.360 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(CCO)CC2)C1 ZINC000651768337 411142749 /nfs/dbraw/zinc/14/27/49/411142749.db2.gz IIUTTYPZKQLYEG-OLZOCXBDSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)c2ncnn2C)C1 ZINC000651784381 411143581 /nfs/dbraw/zinc/14/35/81/411143581.db2.gz MWGBTMLUHMPERI-UTUOFQBUSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCCCO)C1 ZINC000651789498 411143793 /nfs/dbraw/zinc/14/37/93/411143793.db2.gz PHKRPJVHYQQACP-STQMWFEESA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCCCO)C1 ZINC000651789495 411143873 /nfs/dbraw/zinc/14/38/73/411143873.db2.gz PHKRPJVHYQQACP-CHWSQXEVSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CC(F)F)C1 ZINC000651786322 411143910 /nfs/dbraw/zinc/14/39/10/411143910.db2.gz RSTOFRGBMNNLJP-GMTAPVOTSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000651820484 411145862 /nfs/dbraw/zinc/14/58/62/411145862.db2.gz IBJPPKVMMMLASG-SYQHCUMBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651821058 411145967 /nfs/dbraw/zinc/14/59/67/411145967.db2.gz BBJUEBUPALLFFD-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651825461 411146381 /nfs/dbraw/zinc/14/63/81/411146381.db2.gz NUZKETVDBNJALC-UHFFFAOYSA-N 1 0 242.326 2.323 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000651825591 411146397 /nfs/dbraw/zinc/14/63/97/411146397.db2.gz QXHDLCDJVBFMHD-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)C1 ZINC000651828681 411146605 /nfs/dbraw/zinc/14/66/05/411146605.db2.gz YNZWPUWVSOLUPV-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000651846052 411147346 /nfs/dbraw/zinc/14/73/46/411147346.db2.gz FETMGDWEQPOYBK-FVCCEPFGSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCC(C)(C)NC(=O)N[C@H](C)CCC[NH3+] ZINC000659548061 411151922 /nfs/dbraw/zinc/15/19/22/411151922.db2.gz GEZPARNPLRUQDT-LLVKDONJSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CCO)COC ZINC000657885934 411153135 /nfs/dbraw/zinc/15/31/35/411153135.db2.gz AQLDKXGNQJNZSK-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncnn1C ZINC000657896310 411158023 /nfs/dbraw/zinc/15/80/23/411158023.db2.gz SZRALBOSWFYILU-VXGBXAGGSA-N 1 0 234.347 2.040 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC(CF)(CF)C1 ZINC000657928903 411168920 /nfs/dbraw/zinc/16/89/20/411168920.db2.gz WJSPZSNTDJMUKI-UHFFFAOYSA-N 1 0 233.302 2.257 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)C(C)(C)C)nn1 ZINC000653779989 411168944 /nfs/dbraw/zinc/16/89/44/411168944.db2.gz NUWSKGYGQUNQAD-LLVKDONJSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648517461 411171875 /nfs/dbraw/zinc/17/18/75/411171875.db2.gz JUBVOVHNZUWKOK-HZPDHXFCSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000657939172 411173903 /nfs/dbraw/zinc/17/39/03/411173903.db2.gz RGIWQXMWFOGIDP-RYUDHWBXSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CCC(OCC)CC1 ZINC000657938705 411174194 /nfs/dbraw/zinc/17/41/94/411174194.db2.gz PKEVCGALZHZQJO-HSBZDZAISA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C(C)(C)C(F)F ZINC000657938913 411174289 /nfs/dbraw/zinc/17/42/89/411174289.db2.gz RMTJSJIBCVZJGW-ZJUUUORDSA-N 1 0 235.318 2.440 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000657954389 411180071 /nfs/dbraw/zinc/18/00/71/411180071.db2.gz ZBKRYSXPZILEGW-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH+]1CCC(Oc2ncc(C)cn2)CC1 ZINC000653801000 411186104 /nfs/dbraw/zinc/18/61/04/411186104.db2.gz XWSWLSOXECOGBC-UHFFFAOYSA-N 1 0 247.342 2.204 20 30 BEEDRO C=CCCOCCNc1nc(C)ncc1C ZINC000656150720 411187564 /nfs/dbraw/zinc/18/75/64/411187564.db2.gz QPBQXPSZYHTDRL-UHFFFAOYSA-N 1 0 221.304 2.098 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C ZINC000247489428 411210166 /nfs/dbraw/zinc/21/01/66/411210166.db2.gz KUVWLUYSCUSHJV-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1C ZINC000247489433 411210429 /nfs/dbraw/zinc/21/04/29/411210429.db2.gz KUVWLUYSCUSHJV-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CC)C(=O)NC ZINC000658032770 411211222 /nfs/dbraw/zinc/21/12/22/411211222.db2.gz VCNPMUSPBCJDTL-FRRDWIJNSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](CO)CCF ZINC000658043404 411216779 /nfs/dbraw/zinc/21/67/79/411216779.db2.gz HGKMXFQHBGJSRI-JHJVBQTASA-N 1 0 229.339 2.431 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000658113010 411246986 /nfs/dbraw/zinc/24/69/86/411246986.db2.gz CIHBAWYPSYHHLZ-MPZDIEGVSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cn1cncn1 ZINC000658060655 411227261 /nfs/dbraw/zinc/22/72/61/411227261.db2.gz OPXWARQDNAFMKY-BFHYXJOUSA-N 1 0 248.374 2.391 20 30 BEEDRO CC#CCN1CCc2c(F)ccc(F)c2C1 ZINC000267705563 411230435 /nfs/dbraw/zinc/23/04/35/411230435.db2.gz JNFYPQITAZMINW-UHFFFAOYSA-N 1 0 221.250 2.346 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1 ZINC000658087849 411238416 /nfs/dbraw/zinc/23/84/16/411238416.db2.gz WECPZUJGVSNCCQ-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654064412 411327249 /nfs/dbraw/zinc/32/72/49/411327249.db2.gz WISZCHKDWNLUPI-MBNYWOFBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC)Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000656453830 411275654 /nfs/dbraw/zinc/27/56/54/411275654.db2.gz YPBICQMENFIZJE-CQSZACIVSA-N 1 0 242.326 2.292 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000656505217 411287978 /nfs/dbraw/zinc/28/79/78/411287978.db2.gz RZNRNIXDVORSNZ-JTQLQIEISA-N 1 0 202.301 2.234 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000658204802 411292155 /nfs/dbraw/zinc/29/21/55/411292155.db2.gz BRAPGXQAXIFRRO-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000658205037 411292377 /nfs/dbraw/zinc/29/23/77/411292377.db2.gz DOUPNVPJFGIELW-RYUDHWBXSA-N 1 0 235.331 2.071 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(C#N)cn1 ZINC000291112340 411300599 /nfs/dbraw/zinc/30/05/99/411300599.db2.gz LMNXECRQMKOXJU-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)C[C@H]1CCC[C@@H]1O ZINC000159449044 411306292 /nfs/dbraw/zinc/30/62/92/411306292.db2.gz CDDYHBRVIDGCPL-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CC=C(C)CC1 ZINC000556833781 322928281 /nfs/dbraw/zinc/92/82/81/322928281.db2.gz BCECXDMJYAKVEK-OLZOCXBDSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000658116153 411248864 /nfs/dbraw/zinc/24/88/64/411248864.db2.gz GZUUQXQYWRSAFE-NSHDSACASA-N 1 0 205.301 2.406 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000658116996 411249140 /nfs/dbraw/zinc/24/91/40/411249140.db2.gz PVICQCLMKZTPLP-VIFPVBQESA-N 1 0 205.305 2.320 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000658115934 411249349 /nfs/dbraw/zinc/24/93/49/411249349.db2.gz XTJPYGQQUHWKPB-NSHDSACASA-N 1 0 219.332 2.446 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCn2ccnc21 ZINC000655773043 411255674 /nfs/dbraw/zinc/25/56/74/411255674.db2.gz WQDGQLCTWWVSJV-AGIUHOORSA-N 1 0 247.342 2.041 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cncnc1C ZINC000655774581 411257788 /nfs/dbraw/zinc/25/77/88/411257788.db2.gz XRLYFZLPACJZIQ-SNVBAGLBSA-N 1 0 205.305 2.402 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccco1 ZINC000658349585 411350982 /nfs/dbraw/zinc/35/09/82/411350982.db2.gz YNFHQXOCLKRKDI-IJLUTSLNSA-N 1 0 221.300 2.400 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCc1ccc(C)cc1 ZINC000662168504 411372730 /nfs/dbraw/zinc/37/27/30/411372730.db2.gz JCURTYIETCZEKO-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C(C)C ZINC000659331829 411361360 /nfs/dbraw/zinc/36/13/60/411361360.db2.gz QZJPBTUBKQUBME-OLZOCXBDSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000658933128 411362326 /nfs/dbraw/zinc/36/23/26/411362326.db2.gz ZMWPQRUICYYDSJ-AGIUHOORSA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCCC[NH2+]C1(COC)CCOCC1 ZINC000660634871 411363544 /nfs/dbraw/zinc/36/35/44/411363544.db2.gz CGKORMRLVBNZDL-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000313014901 167973760 /nfs/dbraw/zinc/97/37/60/167973760.db2.gz FNEDIXXXKXKWJV-CYBMUJFWSA-N 1 0 248.301 2.212 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000656708118 411334307 /nfs/dbraw/zinc/33/43/07/411334307.db2.gz FLNSFQDURULRFX-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CCOCCC[NH2+]C[C@H](O)C1CCCCC1 ZINC000656708772 411335471 /nfs/dbraw/zinc/33/54/71/411335471.db2.gz JFOQBQQRZNFZMK-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](O)C1CCCCC1 ZINC000656708773 411336200 /nfs/dbraw/zinc/33/62/00/411336200.db2.gz JFOQBQQRZNFZMK-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000656703734 411339407 /nfs/dbraw/zinc/33/94/07/411339407.db2.gz CZBBGPAEVUUSNH-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000311143795 168007647 /nfs/dbraw/zinc/00/76/47/168007647.db2.gz ZBNKWYZUTZBYKY-CYBMUJFWSA-N 1 0 248.301 2.043 20 30 BEEDRO CC1(C[NH2+]Cc2nc(C#N)cs2)CCC1 ZINC000336675372 168044151 /nfs/dbraw/zinc/04/41/51/168044151.db2.gz AJCCZMOAXZHZRB-UHFFFAOYSA-N 1 0 221.329 2.295 20 30 BEEDRO CC1([NH2+]Cc2ccc(C#N)s2)CCOCC1 ZINC000131147968 168063349 /nfs/dbraw/zinc/06/33/49/168063349.db2.gz QRITYSKCBIZFSL-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO CC1=C(C)C[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000280939083 168085717 /nfs/dbraw/zinc/08/57/17/168085717.db2.gz SIIJXHWBNAQMNK-UHFFFAOYSA-N 1 0 229.327 2.439 20 30 BEEDRO CC1=CCC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000280967738 168101008 /nfs/dbraw/zinc/10/10/08/168101008.db2.gz ZUYRHVGHPKZYCK-OAHLLOKOSA-N 1 0 242.322 2.244 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000656829206 411379828 /nfs/dbraw/zinc/37/98/28/411379828.db2.gz QKECMUGXQOBVLU-AWEZNQCLSA-N 1 0 246.354 2.032 20 30 BEEDRO CC1CC[NH+](CCNc2ccc(C#N)cn2)CC1 ZINC000040444340 168180248 /nfs/dbraw/zinc/18/02/48/168180248.db2.gz CZFQOGAMPNUNMS-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC1CC[NH+](CCNc2ccnc(C#N)c2)CC1 ZINC000061811914 168181658 /nfs/dbraw/zinc/18/16/58/168181658.db2.gz FBCFJQGHZFOEBJ-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CC(C)C)C2CC2)nn1 ZINC000653492297 411382587 /nfs/dbraw/zinc/38/25/87/411382587.db2.gz FEQSQZZUIVVEIA-UHFFFAOYSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCC1(CNC(=O)[C@H](C)[NH2+]C)CCCC1 ZINC000659334217 411396765 /nfs/dbraw/zinc/39/67/65/411396765.db2.gz GGPKWINPSRUSGA-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1cnc(C[NH2+]C[C@@H](C)CCC#N)s1 ZINC000389872791 411399240 /nfs/dbraw/zinc/39/92/40/411399240.db2.gz KDCMHGWPJIYDJK-VIFPVBQESA-N 1 0 223.345 2.481 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000653052200 411405949 /nfs/dbraw/zinc/40/59/49/411405949.db2.gz XTZBXSUZNUYVKG-FRRDWIJNSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@@H](C)CC2)nn1 ZINC000653510330 411415752 /nfs/dbraw/zinc/41/57/52/411415752.db2.gz XZTNZEHRUPPMOC-CYBMUJFWSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)C[C@@H](C)CC)nn1 ZINC000653555398 411420444 /nfs/dbraw/zinc/42/04/44/411420444.db2.gz ZBBJNCVBFXMOOH-LBPRGKRZSA-N 1 0 236.363 2.332 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)nn1 ZINC000653561705 411422205 /nfs/dbraw/zinc/42/22/05/411422205.db2.gz QOVLLNQSEKJKMN-CHWSQXEVSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C(C)C)C2)nn1 ZINC000653568319 411423020 /nfs/dbraw/zinc/42/30/20/411423020.db2.gz QQGKQEBRLRZSBG-CYBMUJFWSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](CC)C2)nn1 ZINC000653568048 411423091 /nfs/dbraw/zinc/42/30/91/411423091.db2.gz JKKAFOLGCHHWCA-LBPRGKRZSA-N 1 0 234.347 2.086 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000657237225 411423538 /nfs/dbraw/zinc/42/35/38/411423538.db2.gz LJWQAVSAVZIKDK-XQQFMLRXSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C)CCC)nn1 ZINC000657285201 411442761 /nfs/dbraw/zinc/44/27/61/411442761.db2.gz YQVWZNSVGPUXTN-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CC=CCC2)nn1 ZINC000657367218 411479202 /nfs/dbraw/zinc/47/92/02/411479202.db2.gz MRHFIRPWECUHJD-LBPRGKRZSA-N 1 0 232.331 2.053 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657363805 411481428 /nfs/dbraw/zinc/48/14/28/411481428.db2.gz PBEPPIJAINACRT-QMMMGPOBSA-N 1 0 247.264 2.493 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657363821 411481510 /nfs/dbraw/zinc/48/15/10/411481510.db2.gz POGSZTIDBGMGAZ-JTQLQIEISA-N 1 0 220.320 2.057 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@H](C)C(C)C)nn1 ZINC000657369986 411483369 /nfs/dbraw/zinc/48/33/69/411483369.db2.gz JUTNVMKCHLWHLE-LBPRGKRZSA-N 1 0 236.363 2.236 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](CCC)C1CCC1 ZINC000657378808 411487406 /nfs/dbraw/zinc/48/74/06/411487406.db2.gz SLKSKYPSHTVYER-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(OC)no2)CC1 ZINC000659917965 411498072 /nfs/dbraw/zinc/49/80/72/411498072.db2.gz VILFTWMFYWHDSD-UHFFFAOYSA-N 1 0 222.288 2.081 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000659942625 411505930 /nfs/dbraw/zinc/50/59/30/411505930.db2.gz XLXADXKBHPYMHO-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657434746 411507257 /nfs/dbraw/zinc/50/72/57/411507257.db2.gz HFKSIVFTODHKHD-VIFPVBQESA-N 1 0 245.244 2.131 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnc2n1CCC2 ZINC000657456583 411516703 /nfs/dbraw/zinc/51/67/03/411516703.db2.gz SOGGDFVHFLBWBI-NSHDSACASA-N 1 0 219.332 2.274 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(C2CC2)cnn1C ZINC000657480377 411527705 /nfs/dbraw/zinc/52/77/05/411527705.db2.gz WTLVXOSCVWWGTD-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO CC[NH+]1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000019934240 169997702 /nfs/dbraw/zinc/99/77/02/169997702.db2.gz FBKGPJQZALLQQL-AWEZNQCLSA-N 1 0 247.317 2.028 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000657583071 411554366 /nfs/dbraw/zinc/55/43/66/411554366.db2.gz XLAULYPWEZHBLV-UHFFFAOYSA-N 1 0 231.343 2.348 20 30 BEEDRO C=CCC[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000657582946 411554371 /nfs/dbraw/zinc/55/43/71/411554371.db2.gz PBQSCTZHSOFSQO-UHFFFAOYSA-N 1 0 236.344 2.073 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OCCOC)cc1 ZINC000657582702 411554842 /nfs/dbraw/zinc/55/48/42/411554842.db2.gz AUUGPEUPMNXKTL-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=C(C)CN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660219308 411554963 /nfs/dbraw/zinc/55/49/63/411554963.db2.gz BJAZNPSPZPHXLY-OKILXGFUSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CCC[NH2+]Cc1nn(C)c(C)c1Cl ZINC000657584168 411555282 /nfs/dbraw/zinc/55/52/82/411555282.db2.gz ZQBCSVVBJVWUHQ-UHFFFAOYSA-N 1 0 213.712 2.048 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000657583889 411555462 /nfs/dbraw/zinc/55/54/62/411555462.db2.gz SKELQPHSNMFDQN-UHFFFAOYSA-N 1 0 219.332 2.203 20 30 BEEDRO C=CCC1([NH2+]Cc2cnn(CC)c2)CCOCC1 ZINC000657633163 411567057 /nfs/dbraw/zinc/56/70/57/411567057.db2.gz JJAJMGJCQQSTBT-UHFFFAOYSA-N 1 0 249.358 2.118 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000181492539 170389226 /nfs/dbraw/zinc/38/92/26/170389226.db2.gz MVDINUOFTZNUMK-UHFFFAOYSA-N 1 0 224.329 2.088 20 30 BEEDRO CCOCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000057454333 170389250 /nfs/dbraw/zinc/38/92/50/170389250.db2.gz WNGTZNMOMJBFNR-UHFFFAOYSA-N 1 0 218.300 2.027 20 30 BEEDRO CCOCC[N@H+](CC)CC#Cc1ccccc1 ZINC000192014859 170394735 /nfs/dbraw/zinc/39/47/35/170394735.db2.gz VJEXWODUJMQAHK-UHFFFAOYSA-N 1 0 231.339 2.397 20 30 BEEDRO C=CCCN(C)CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000660399241 411579058 /nfs/dbraw/zinc/57/90/58/411579058.db2.gz IBJHTOFYRZDMKV-OKILXGFUSA-N 1 0 224.392 2.472 20 30 BEEDRO C=CCC1([NH2+]Cc2cc[nH]n2)CCCC1 ZINC000657702715 411583013 /nfs/dbraw/zinc/58/30/13/411583013.db2.gz ORMBTPAHSFEDPT-UHFFFAOYSA-N 1 0 205.305 2.388 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](C)CCC=C(C)C)C1=O ZINC000660463604 411589996 /nfs/dbraw/zinc/58/99/96/411589996.db2.gz FWSLFCSKIIUBKC-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC)C1 ZINC000657789782 411596942 /nfs/dbraw/zinc/59/69/42/411596942.db2.gz JLSBIKFTDVDRJX-XQHKEYJVSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cncnc1OC ZINC000657806039 411600347 /nfs/dbraw/zinc/60/03/47/411600347.db2.gz GRKYRAHQONWILR-UHFFFAOYSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CCCCC[N@@H+]1CCn2cncc2C1 ZINC000660584374 411604067 /nfs/dbraw/zinc/60/40/67/411604067.db2.gz SDKTXALPFQAVHG-UHFFFAOYSA-N 1 0 205.305 2.055 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCCC ZINC000657825572 411607949 /nfs/dbraw/zinc/60/79/49/411607949.db2.gz NYBXXKHQOXFANK-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCCNC(C)=O ZINC000657827970 411608560 /nfs/dbraw/zinc/60/85/60/411608560.db2.gz QIVVZXLIIRPXLN-UONOGXRCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nncn1C ZINC000657833603 411608884 /nfs/dbraw/zinc/60/88/84/411608884.db2.gz HIDANEIESKRSRI-NEPJUHHUSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](C)CO ZINC000657846755 411611023 /nfs/dbraw/zinc/61/10/23/411611023.db2.gz QFDQYHBGNNELMS-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCOCCOC ZINC000657853078 411612216 /nfs/dbraw/zinc/61/22/16/411612216.db2.gz ZBQUPWDPMPKWPC-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nc(C)oc1C ZINC000660739118 411620450 /nfs/dbraw/zinc/62/04/50/411620450.db2.gz KXJYPDOBDLRQSQ-YPMHNXCESA-N 1 0 236.315 2.115 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC#CCOC ZINC000661114071 411712384 /nfs/dbraw/zinc/71/23/84/411712384.db2.gz CSXRAWPLMIWSOI-KBPBESRZSA-N 1 0 221.344 2.361 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCOCCF ZINC000663464013 411665421 /nfs/dbraw/zinc/66/54/21/411665421.db2.gz PJCGQEIPUMACRC-GHMZBOCLSA-N 1 0 203.301 2.163 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1ccc(N)nc1 ZINC000663507216 411689278 /nfs/dbraw/zinc/68/92/78/411689278.db2.gz MCBCADUCPSVYRW-UHFFFAOYSA-N 1 0 219.332 2.498 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661145629 411718271 /nfs/dbraw/zinc/71/82/71/411718271.db2.gz MZWSYUYFIWMLPM-ZIAGYGMSSA-N 1 0 248.374 2.345 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090682 411703262 /nfs/dbraw/zinc/70/32/62/411703262.db2.gz GMSYFPNFSQVIQZ-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@](C)(C2CC2)C1 ZINC000661170602 411729122 /nfs/dbraw/zinc/72/91/22/411729122.db2.gz JJNMTGCJZPOMKH-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1CCCO1)[C@H](C)COC ZINC000661239270 411738944 /nfs/dbraw/zinc/73/89/44/411738944.db2.gz DNUBIVRKUJGLAB-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[N@@H+](CCOC(C)(C)C)[C@H](C)COC ZINC000661239245 411739217 /nfs/dbraw/zinc/73/92/17/411739217.db2.gz DLCGHGDAPNKFLB-GFCCVEGCSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCCCO1)[C@H](C)COC ZINC000661244647 411743678 /nfs/dbraw/zinc/74/36/78/411743678.db2.gz XCFPZIKHBWERAR-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)C(F)(F)F)C1 ZINC000661383881 411753991 /nfs/dbraw/zinc/75/39/91/411753991.db2.gz FSBYTUZNVIWYHL-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)CCC)C1 ZINC000661385828 411754034 /nfs/dbraw/zinc/75/40/34/411754034.db2.gz QENOGPDZGJQWMW-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)c2cccn2C)C1 ZINC000661382376 411763542 /nfs/dbraw/zinc/76/35/42/411763542.db2.gz VBOHUQOVWQHPFD-CYBMUJFWSA-N 1 0 246.354 2.496 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cscn1 ZINC000661425335 411773762 /nfs/dbraw/zinc/77/37/62/411773762.db2.gz SLSJHLPCVUZBHD-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661489369 411788258 /nfs/dbraw/zinc/78/82/58/411788258.db2.gz ANXIYJRXXGSGTL-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661145626 411719333 /nfs/dbraw/zinc/71/93/33/411719333.db2.gz MZWSYUYFIWMLPM-KGLIPLIRSA-N 1 0 248.374 2.345 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661142800 411719451 /nfs/dbraw/zinc/71/94/51/411719451.db2.gz ZWPFGRGMDSHRAB-AWEZNQCLSA-N 1 0 248.374 2.346 20 30 BEEDRO C=CCCCC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000661537938 411797617 /nfs/dbraw/zinc/79/76/17/411797617.db2.gz GTQLSDWDMPUNLM-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[N@@H+](CCOC[C@@H]1CCCO1)C(C)(C)C ZINC000661756042 411865991 /nfs/dbraw/zinc/86/59/91/411865991.db2.gz AOJTVNUYCGPSEO-ZDUSSCGKSA-N 1 0 241.375 2.469 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000661652754 411827794 /nfs/dbraw/zinc/82/77/94/411827794.db2.gz BWYNKCBGJYEPBM-GFCCVEGCSA-N 1 0 207.317 2.067 20 30 BEEDRO C=CC[N@@H+](CC(=O)NCC(C)C)C(C)(C)C ZINC000661755745 411867500 /nfs/dbraw/zinc/86/75/00/411867500.db2.gz QPFHYEFDVKLANW-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCN1CCOC[C@@H]1c1cccc(F)c1 ZINC000661732221 411861452 /nfs/dbraw/zinc/86/14/52/411861452.db2.gz UAFHGZFKSRTFBR-CYBMUJFWSA-N 1 0 221.275 2.385 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+]C2(CC=C)CCCC2)C1=O ZINC000661851660 411903044 /nfs/dbraw/zinc/90/30/44/411903044.db2.gz ZCNXVXNLUSEFGZ-CYBMUJFWSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC1([NH2+]CCC(=O)N(C)CC)CCCC1 ZINC000661862202 411906573 /nfs/dbraw/zinc/90/65/73/411906573.db2.gz DRWCXXWQDWDRNY-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC1([NH2+]CCOCCOC)CCCC1 ZINC000661862882 411909496 /nfs/dbraw/zinc/90/94/96/411909496.db2.gz HRKUFOZGLPAGNX-UHFFFAOYSA-N 1 0 227.348 2.128 20 30 BEEDRO CC#CC[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000661869476 411910552 /nfs/dbraw/zinc/91/05/52/411910552.db2.gz YHDMCZCQDIVBLJ-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000661869454 411911023 /nfs/dbraw/zinc/91/10/23/411911023.db2.gz VNMVFZYQFLMHKJ-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[C@@H](CNc1cccc(C#N)n1)[NH+]1CCCC1 ZINC000270091050 170831324 /nfs/dbraw/zinc/83/13/24/170831324.db2.gz XHMYQYHANBCEBR-ZDUSSCGKSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C(C)C[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997453 411937073 /nfs/dbraw/zinc/93/70/73/411937073.db2.gz VGMUJYPAZMAVPV-UHFFFAOYSA-N 1 0 221.344 2.454 20 30 BEEDRO C=CC[N@@H+](C[C@@H](OC)[C@@H]1CCOC1)C(C)(C)C ZINC000661758485 411869430 /nfs/dbraw/zinc/86/94/30/411869430.db2.gz SSCHREXQNGNWBI-CHWSQXEVSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661777528 411883953 /nfs/dbraw/zinc/88/39/53/411883953.db2.gz HMANJYDFKPXJPA-UONOGXRCSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000662065023 411968269 /nfs/dbraw/zinc/96/82/69/411968269.db2.gz YHDBZQVOEQVBCH-HUUCEWRRSA-N 1 0 247.338 2.077 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(CC(C)C)CC1 ZINC000662069286 411969146 /nfs/dbraw/zinc/96/91/46/411969146.db2.gz JOEWKJJKWXAHJH-LBPRGKRZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc[nH]n1 ZINC000662090416 411973202 /nfs/dbraw/zinc/97/32/02/411973202.db2.gz OVMWHQYNZNUSFB-TXEJJXNPSA-N 1 0 203.289 2.093 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccccc1=O ZINC000662084526 411981124 /nfs/dbraw/zinc/98/11/24/411981124.db2.gz SCMSPIHEMLBGKF-OKILXGFUSA-N 1 0 244.338 2.031 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cnc(C)nc1 ZINC000662087673 411981440 /nfs/dbraw/zinc/98/14/40/411981440.db2.gz HPZGGLAODJQUTA-OKILXGFUSA-N 1 0 229.327 2.468 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCn1ccnc1C ZINC000662087672 411981795 /nfs/dbraw/zinc/98/17/95/411981795.db2.gz HOJIVXNYAORSLU-OKILXGFUSA-N 1 0 231.343 2.375 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCc1nc(C)no1 ZINC000662087635 411982268 /nfs/dbraw/zinc/98/22/68/411982268.db2.gz GNRSSRGVEUJZFS-BETUJISGSA-N 1 0 247.342 2.494 20 30 BEEDRO CC[C@@H]([NH2+]CCOC)c1ccc(C#N)cc1 ZINC000336748518 170895644 /nfs/dbraw/zinc/89/56/44/170895644.db2.gz XZSZBQQHDGRYGQ-CYBMUJFWSA-N 1 0 218.300 2.245 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCSc1ccc(F)cc1 ZINC000662165265 412014742 /nfs/dbraw/zinc/01/47/42/412014742.db2.gz BZHZWJAQRODUQP-LLVKDONJSA-N 1 0 241.331 2.054 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@@H]1CCC[C@H](C)C1 ZINC000662167212 412016088 /nfs/dbraw/zinc/01/60/88/412016088.db2.gz VOHLKPJRDXWBQU-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCOc1cc(C)ccc1C ZINC000662167994 412016844 /nfs/dbraw/zinc/01/68/44/412016844.db2.gz XDXAFOPJPRPFDN-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCCCC1(C)C ZINC000662169871 412017406 /nfs/dbraw/zinc/01/74/06/412017406.db2.gz WGXMQTTVRDAKJZ-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000662169712 412017766 /nfs/dbraw/zinc/01/77/66/412017766.db2.gz RGZBXQRNFPDPSL-UONOGXRCSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662041432 411958879 /nfs/dbraw/zinc/95/88/79/411958879.db2.gz AGBDGUFTNUEBMP-KGLIPLIRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCSC2(CCC2)CC1 ZINC000664884118 412037472 /nfs/dbraw/zinc/03/74/72/412037472.db2.gz XGJIHLLNDGNWAF-LBPRGKRZSA-N 1 0 241.400 2.285 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCOCCC#N ZINC000339063498 171038851 /nfs/dbraw/zinc/03/88/51/171038851.db2.gz YHHPWWPXILXBCU-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCOCCC#N ZINC000339063496 171054112 /nfs/dbraw/zinc/05/41/12/171054112.db2.gz YHHPWWPXILXBCU-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc(C#N)c2)C[C@H]1O ZINC000275702065 171094846 /nfs/dbraw/zinc/09/48/46/171094846.db2.gz QQFYCJXBDWJHAE-NJZAAPMLSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccc(C#N)cc2)C[C@H]1O ZINC000270839120 171095984 /nfs/dbraw/zinc/09/59/84/171095984.db2.gz DVOWMMIDNYRCIF-UXIGCNINSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000087011890 171184924 /nfs/dbraw/zinc/18/49/24/171184924.db2.gz MXWZYJHNXCBFID-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000189619482 171212810 /nfs/dbraw/zinc/21/28/10/171212810.db2.gz SIONCSHYOHVAEC-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNCc1ccc(C#N)cc1 ZINC000217396157 171306944 /nfs/dbraw/zinc/30/69/44/171306944.db2.gz ODJSADXIPJGMJL-ZDUSSCGKSA-N 1 0 245.370 2.378 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cccc(C#N)n1 ZINC000229781397 171307450 /nfs/dbraw/zinc/30/74/50/171307450.db2.gz JGTQOXUQSPSATI-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000304254086 171382916 /nfs/dbraw/zinc/38/29/16/171382916.db2.gz ADIYMERJKOYWAR-GWCFXTLKSA-N 1 0 236.315 2.038 20 30 BEEDRO C=CCCN1C[C@H]([NH3+])CCc2ccccc21 ZINC000662303964 412089884 /nfs/dbraw/zinc/08/98/84/412089884.db2.gz YYGRIUULTGUEIY-CYBMUJFWSA-N 1 0 216.328 2.343 20 30 BEEDRO COCC#CC[N@@H+]1CC2CC1(c1ccccc1)C2 ZINC000662331659 412104772 /nfs/dbraw/zinc/10/47/72/412104772.db2.gz PNJKVINEKXHPKQ-UHFFFAOYSA-N 1 0 241.334 2.257 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662466190 412184451 /nfs/dbraw/zinc/18/44/51/412184451.db2.gz UYNFKZDYPDKEBX-BXUZGUMPSA-N 1 0 244.338 2.302 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)CC1([NH3+])CC1 ZINC000662498153 412195181 /nfs/dbraw/zinc/19/51/81/412195181.db2.gz ORWKPVHHLLHEAT-UHFFFAOYSA-N 1 0 244.338 2.083 20 30 BEEDRO C=CC[C@@]1(C(=O)N(C)C[C@H](C)CC)CCC[NH2+]1 ZINC000662589953 412232573 /nfs/dbraw/zinc/23/25/73/412232573.db2.gz MTQJHLLUUJUXAI-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665286695 412233953 /nfs/dbraw/zinc/23/39/53/412233953.db2.gz RWADWHWGKUKHSE-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)CC(C)(C)[NH3+] ZINC000662601543 412235273 /nfs/dbraw/zinc/23/52/73/412235273.db2.gz LXTJSQCFMOHDOB-NWDGAFQWSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC1(CNC(=O)[C@@H]([NH3+])CC)CCCC1 ZINC000662620663 412244747 /nfs/dbraw/zinc/24/47/47/412244747.db2.gz NTYZXTQWBKXVIG-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCC1(NC(=O)CC2(C[NH3+])CC2)CCCC1 ZINC000662888114 412335927 /nfs/dbraw/zinc/33/59/27/412335927.db2.gz FTXBHLDBSOUHAO-UHFFFAOYSA-N 1 0 236.359 2.121 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cccc(O)c2)CCC[NH2+]1 ZINC000662767834 412296094 /nfs/dbraw/zinc/29/60/94/412296094.db2.gz XRRMXDBILPKAFN-AWEZNQCLSA-N 1 0 246.310 2.029 20 30 BEEDRO CCn1cc(C[NH2+]Cc2ccc(C#N)cc2)cn1 ZINC000050539564 172172031 /nfs/dbraw/zinc/17/20/31/172172031.db2.gz QWDNNGKRNLHILV-UHFFFAOYSA-N 1 0 240.310 2.064 20 30 BEEDRO CCn1ccnc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000296339290 172225102 /nfs/dbraw/zinc/22/51/02/172225102.db2.gz HTCSFSRUUAHNBX-NWDGAFQWSA-N 1 0 232.331 2.075 20 30 BEEDRO C[NH+](C)CCSCc1ccc(F)c(C#N)c1 ZINC000157878189 172475350 /nfs/dbraw/zinc/47/53/50/172475350.db2.gz VTESBSHMWZLDEN-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccnc(C#N)c2)C1 ZINC000283732382 172536717 /nfs/dbraw/zinc/53/67/17/172536717.db2.gz IAVGIZPDKZMFMT-FZMZJTMJSA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C#N)cc3)[C@H]2C1 ZINC000272179440 173161402 /nfs/dbraw/zinc/16/14/02/173161402.db2.gz KAUOPOYFIDEQNI-ZFWWWQNUSA-N 1 0 241.338 2.089 20 30 BEEDRO C[NH2+]C[C@H](C)CNc1c(F)cc(C#N)cc1F ZINC000129575198 173375245 /nfs/dbraw/zinc/37/52/45/173375245.db2.gz SPTRNWSIWHILOW-QMMMGPOBSA-N 1 0 239.269 2.104 20 30 BEEDRO COC1(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000340440137 173991117 /nfs/dbraw/zinc/99/11/17/173991117.db2.gz GHZVUJYQXRTYIG-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO COC1CCC([NH2+]CC2(CC#N)CC2)CC1 ZINC000336774846 174023477 /nfs/dbraw/zinc/02/34/77/174023477.db2.gz XHDJKLDTWVTEJD-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C#N)s2)CC1 ZINC000271051285 174029937 /nfs/dbraw/zinc/02/99/37/174029937.db2.gz VUZHFMRYOZVLSJ-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC001652317133 1173061983 /nfs/dbraw/zinc/06/19/83/1173061983.db2.gz TZXBXGAXNHISSF-GFCCVEGCSA-N 1 0 217.316 2.232 20 30 BEEDRO COCC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000069704125 174120188 /nfs/dbraw/zinc/12/01/88/174120188.db2.gz CYKOCXBWQSMJFN-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO COCCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000177898154 174261211 /nfs/dbraw/zinc/26/12/11/174261211.db2.gz KBBJGFOVBWHIRE-GFCCVEGCSA-N 1 0 232.327 2.463 20 30 BEEDRO COCC[N@H+](Cc1cccc(C#N)c1)C1CC1 ZINC000042296047 174298925 /nfs/dbraw/zinc/29/89/25/174298925.db2.gz AMKSXBBPGGZXNP-UHFFFAOYSA-N 1 0 230.311 2.169 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000174134695 174914904 /nfs/dbraw/zinc/91/49/04/174914904.db2.gz ZJURRFGRKIIFLC-TZMCWYRMSA-N 1 0 248.326 2.444 20 30 BEEDRO COc1ccc(C[N@@H+](C)C[C@H](C)OC)cc1C#N ZINC000306113080 175095702 /nfs/dbraw/zinc/09/57/02/175095702.db2.gz XVALQKKDUIYYIF-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO COc1ccc(C[NH2+]C2CC(C)C2)cc1C#N ZINC000135564335 175106018 /nfs/dbraw/zinc/10/60/18/175106018.db2.gz ZDGJADUFENZIJW-UHFFFAOYSA-N 1 0 230.311 2.455 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1F)[C@@H]1CCOC1 ZINC000130697634 175896774 /nfs/dbraw/zinc/89/67/74/175896774.db2.gz RPCUGXWTKZQMPD-ZWNOBZJWSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](CCO)CC1CC1 ZINC000352485506 176012723 /nfs/dbraw/zinc/01/27/23/176012723.db2.gz YXEMCXLBPQHEIU-LBPRGKRZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000357570490 176012959 /nfs/dbraw/zinc/01/29/59/176012959.db2.gz NMQYPBYNFHYIDL-TYNCELHUSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](O)C1 ZINC000265516707 176013656 /nfs/dbraw/zinc/01/36/56/176013656.db2.gz NGGPIHAPIJIYJA-FZMZJTMJSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279901167 176016846 /nfs/dbraw/zinc/01/68/46/176016846.db2.gz VECWVYIIPCUGFP-FZMZJTMJSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccnc(C#N)c1 ZINC000286120912 176072084 /nfs/dbraw/zinc/07/20/84/176072084.db2.gz MIWPXKBCOYOKCY-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOCCC#N ZINC000338984340 176115338 /nfs/dbraw/zinc/11/53/38/176115338.db2.gz ZOTHVPRYQVNIRF-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1cccc(C#N)c1 ZINC000136162935 176139279 /nfs/dbraw/zinc/13/92/79/176139279.db2.gz XMEWCVGOJVUPCQ-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000136155172 176139690 /nfs/dbraw/zinc/13/96/90/176139690.db2.gz HVRGUNMEGJCFOC-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000335913719 176150368 /nfs/dbraw/zinc/15/03/68/176150368.db2.gz GCKSKLPTCOQZEW-PSASIEDQSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@@H]1CC[N@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000336616197 176166609 /nfs/dbraw/zinc/16/66/09/176166609.db2.gz WUECAEZTSTXHDE-CYBMUJFWSA-N 1 0 243.354 2.084 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1C ZINC000191376185 176174910 /nfs/dbraw/zinc/17/49/10/176174910.db2.gz GBIRZGZCEOCYPL-NEPJUHHUSA-N 1 0 231.343 2.375 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000357570485 176180536 /nfs/dbraw/zinc/18/05/36/176180536.db2.gz NMQYPBYNFHYIDL-LALPHHSUSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H]1CCOCC[N@@H+]1CCCC(C)(C)C#N ZINC000362233535 176188556 /nfs/dbraw/zinc/18/85/56/176188556.db2.gz FTHNKNJOUHYOCI-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CC2(CSC2)C1 ZINC001172510326 974864180 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C[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)[C@H]1CO ZINC000305162697 177100224 /nfs/dbraw/zinc/10/02/24/177100224.db2.gz GAMQNJPWUMNLGL-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315234 177127043 /nfs/dbraw/zinc/12/70/43/177127043.db2.gz IXSUJTOOWXTBDE-GWCFXTLKSA-N 1 0 217.316 2.175 20 30 BEEDRO C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000292921393 177128666 /nfs/dbraw/zinc/12/86/66/177128666.db2.gz GFDCMKTVXVXNNW-SWLSCSKDSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]1CC[N@H+](C)CCN1Cc1ccc(C#N)s1 ZINC000336490819 177157327 /nfs/dbraw/zinc/15/73/27/177157327.db2.gz PHVAVTTWTNSMFK-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000040718213 177160857 /nfs/dbraw/zinc/16/08/57/177160857.db2.gz WZBQBCXBAAPHDR-LBPRGKRZSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000040718165 177162852 /nfs/dbraw/zinc/16/28/52/177162852.db2.gz WLLSHVVOQFHTMA-NSHDSACASA-N 1 0 200.285 2.400 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000309105641 177205214 /nfs/dbraw/zinc/20/52/14/177205214.db2.gz HTRMQEIMRIBWMJ-IUCAKERBSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@@H]1CN(Cc2ccc(C#N)cc2)C[C@H](C)[N@H+]1C ZINC000135272887 177261676 /nfs/dbraw/zinc/26/16/76/177261676.db2.gz OICIBVGHQOBODZ-BETUJISGSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000336278173 177296995 /nfs/dbraw/zinc/29/69/95/177296995.db2.gz NNGFQLFLTIMLNN-IINYFYTJSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000278077864 177297014 /nfs/dbraw/zinc/29/70/14/177297014.db2.gz ZRRLOHAHFSHHJQ-SMDDNHRTSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000302029316 177297079 /nfs/dbraw/zinc/29/70/79/177297079.db2.gz WJMAYUYETGGKTL-GXFFZTMASA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304580172 177307271 /nfs/dbraw/zinc/30/72/71/177307271.db2.gz YHPMGGUTEQHXIU-GXFFZTMASA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CCO1 ZINC000219901735 177332682 /nfs/dbraw/zinc/33/26/82/177332682.db2.gz NCWZTJOIPHWENH-UWVGGRQHSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)CCO1 ZINC000341476565 177332724 /nfs/dbraw/zinc/33/27/24/177332724.db2.gz XTKVQRYIBAYIQN-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H]1C[C@@H](O)CCN1Cc1cc(C#N)ccc1F ZINC000292393639 177335635 /nfs/dbraw/zinc/33/56/35/177335635.db2.gz KNTRQUPFTVHVGJ-GWCFXTLKSA-N 1 0 248.301 2.043 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(Cl)cc1O ZINC001652433607 1173079597 /nfs/dbraw/zinc/07/95/97/1173079597.db2.gz SQEPQXWNGWKORR-QMMMGPOBSA-N 1 0 209.676 2.157 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001652481365 1173089930 /nfs/dbraw/zinc/08/99/30/1173089930.db2.gz PCHZCYKDWMWUDW-GHMZBOCLSA-N 1 0 227.348 2.328 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)c2cn[nH]c2)ccc1C#N ZINC000488319329 225371505 /nfs/dbraw/zinc/37/15/05/225371505.db2.gz WDKIYGXPUPMKTG-NSHDSACASA-N 1 0 240.310 2.441 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000488440311 225398589 /nfs/dbraw/zinc/39/85/89/225398589.db2.gz PTLCXGGJYYVVCO-AWEZNQCLSA-N 1 0 244.338 2.335 20 30 BEEDRO C[C@@H]1C[C@H](O)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000401504291 226358766 /nfs/dbraw/zinc/35/87/66/226358766.db2.gz QUCOSFSIRLTVOK-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC=C(C)CC1 ZINC000895713060 583711096 /nfs/dbraw/zinc/71/10/96/583711096.db2.gz JAGHRLBHLWZNDH-CHWSQXEVSA-N 1 0 209.333 2.402 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000678049373 487670980 /nfs/dbraw/zinc/67/09/80/487670980.db2.gz JCWBDZFJERHOHS-XQQFMLRXSA-N 1 0 211.349 2.291 20 30 BEEDRO Cc1cc(NCC[C@@H]2CCC[NH2+]C2)cc(C#N)n1 ZINC000308239198 229225517 /nfs/dbraw/zinc/22/55/17/229225517.db2.gz KDRQLBBPDGBWNZ-LBPRGKRZSA-N 1 0 244.342 2.063 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(C(C)C)CC1 ZINC000678050332 487672245 /nfs/dbraw/zinc/67/22/45/487672245.db2.gz YDDZHUIGEBOFHR-ZDUSSCGKSA-N 1 0 211.349 2.291 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cncs1 ZINC000308993359 229289393 /nfs/dbraw/zinc/28/93/93/229289393.db2.gz LTWAHWRJIJWOMX-LPEHRKFASA-N 1 0 221.329 2.486 20 30 BEEDRO OCC1([NH2+]CC#Cc2ccc(F)cc2)CCCC1 ZINC000305219836 229371801 /nfs/dbraw/zinc/37/18/01/229371801.db2.gz JEHPPVATQFOYEE-UHFFFAOYSA-N 1 0 247.313 2.072 20 30 BEEDRO CCC1(CC)C[N@H+](CC#CCOC)CCS1 ZINC000680991732 487687921 /nfs/dbraw/zinc/68/79/21/487687921.db2.gz ZHXGSGWPCSKFHM-UHFFFAOYSA-N 1 0 241.400 2.244 20 30 BEEDRO COCCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000527935955 262896949 /nfs/dbraw/zinc/89/69/49/262896949.db2.gz NIJCROOHXAJQPZ-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO COCCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000527935950 262896950 /nfs/dbraw/zinc/89/69/50/262896950.db2.gz NIJCROOHXAJQPZ-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCc2occc21 ZINC000328060564 262902889 /nfs/dbraw/zinc/90/28/89/262902889.db2.gz BGJXEOKOOKJJPL-CQSZACIVSA-N 1 0 246.354 2.202 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000397913299 262940031 /nfs/dbraw/zinc/94/00/31/262940031.db2.gz BULNDVRNGRTQDV-ZJUUUORDSA-N 1 0 210.346 2.021 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000681039295 487703257 /nfs/dbraw/zinc/70/32/57/487703257.db2.gz KGLRZXCTQBPTGY-UONOGXRCSA-N 1 0 241.375 2.062 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC[C@@H](CCOC)C1 ZINC000681039293 487703418 /nfs/dbraw/zinc/70/34/18/487703418.db2.gz KGLRZXCTQBPTGY-KBPBESRZSA-N 1 0 241.375 2.062 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC[C@H](CCOC)C1 ZINC000681039294 487703437 /nfs/dbraw/zinc/70/34/37/487703437.db2.gz KGLRZXCTQBPTGY-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1cccc(C#N)c1 ZINC000395126180 266387126 /nfs/dbraw/zinc/38/71/26/266387126.db2.gz OASOCVWDKHACFH-HUUCEWRRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)cc2F)O1 ZINC000398073738 267028646 /nfs/dbraw/zinc/02/86/46/267028646.db2.gz KSZZOKMYADWVPO-ZWNOBZJWSA-N 1 0 248.301 2.354 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000527782285 267154460 /nfs/dbraw/zinc/15/44/60/267154460.db2.gz DLGLBEVQWZIPOB-NEPJUHHUSA-N 1 0 236.340 2.277 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000527783265 267154947 /nfs/dbraw/zinc/15/49/47/267154947.db2.gz RRFGEOVFJACFFE-KGLIPLIRSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@](C)(CC)C1 ZINC000649330148 487734395 /nfs/dbraw/zinc/73/43/95/487734395.db2.gz BFEATNQGVITOLV-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000449523352 487757039 /nfs/dbraw/zinc/75/70/39/487757039.db2.gz XOPNWUDYTYGTHQ-XQHKEYJVSA-N 1 0 207.317 2.108 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000649604798 487769081 /nfs/dbraw/zinc/76/90/81/487769081.db2.gz XUTMSQGDYHUQLA-LSDHHAIUSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000649619848 487775269 /nfs/dbraw/zinc/77/52/69/487775269.db2.gz QNIYUQSJQBWBQW-HNNXBMFYSA-N 1 0 244.338 2.108 20 30 BEEDRO C#CCC[N@@H+](CCC)C[C@H]1CCCCO1 ZINC000760854813 585400110 /nfs/dbraw/zinc/40/01/10/585400110.db2.gz DNXWQZKIPDVLSU-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000679219820 487783927 /nfs/dbraw/zinc/78/39/27/487783927.db2.gz JJSHHVRTSSVCKA-MELADBBJSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000111260134 487785718 /nfs/dbraw/zinc/78/57/18/487785718.db2.gz GNROLHQKUMUZOV-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617039176 487787167 /nfs/dbraw/zinc/78/71/67/487787167.db2.gz DKCQRVQWAIGPOL-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000650321152 487787262 /nfs/dbraw/zinc/78/72/62/487787262.db2.gz XVBNWVMJIOKZDY-HZSPNIEDSA-N 1 0 223.360 2.441 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617039174 487787080 /nfs/dbraw/zinc/78/70/80/487787080.db2.gz DKCQRVQWAIGPOL-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000681405745 487793700 /nfs/dbraw/zinc/79/37/00/487793700.db2.gz CRDYMOFTQVCAAM-AWEZNQCLSA-N 1 0 244.338 2.037 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000653749558 487800323 /nfs/dbraw/zinc/80/03/23/487800323.db2.gz KJDYHIBCLJGKLV-UKRRQHHQSA-N 1 0 246.354 2.116 20 30 BEEDRO CC(C)C[C@H](C)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153293 487807312 /nfs/dbraw/zinc/80/73/12/487807312.db2.gz LJAANMWLSTVNHF-STQMWFEESA-N 1 0 224.348 2.019 20 30 BEEDRO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000592153318 487807392 /nfs/dbraw/zinc/80/73/92/487807392.db2.gz LSHMYDWKCVJATE-LSDHHAIUSA-N 1 0 242.322 2.024 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2nncn2CC)C1 ZINC000651679233 487816197 /nfs/dbraw/zinc/81/61/97/487816197.db2.gz UNYYRKGDZLBNCQ-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(C#N)s1 ZINC000308617565 487825962 /nfs/dbraw/zinc/82/59/62/487825962.db2.gz VLQSZHZMKRQEAT-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@@H]1CCC[C@@H]1C ZINC000487958599 526361659 /nfs/dbraw/zinc/36/16/59/526361659.db2.gz JJASKNHRNWAYCY-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1 ZINC000306173666 527433283 /nfs/dbraw/zinc/43/32/83/527433283.db2.gz BNDVKRFDADLLTP-ZDUSSCGKSA-N 1 0 205.301 2.103 20 30 BEEDRO C=CCN(C)Cc1ccnc(Cl)c1F ZINC000824208883 587260814 /nfs/dbraw/zinc/26/08/14/587260814.db2.gz IXPJNOZABIBTOD-UHFFFAOYSA-N 1 0 214.671 2.492 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870553992 589675720 /nfs/dbraw/zinc/67/57/20/589675720.db2.gz WYWAAGPUIHTSHJ-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@](C)(O)CC ZINC000876915845 590251504 /nfs/dbraw/zinc/25/15/04/590251504.db2.gz YXXHHRXIVWWCIN-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO CCCCCCCC(=O)NCC(C)(C)[NH3+] ZINC000132833650 591740458 /nfs/dbraw/zinc/74/04/58/591740458.db2.gz DNZMZBDGJYINHC-UHFFFAOYSA-N 1 0 214.353 2.200 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1nccnc1C ZINC000313478552 322956844 /nfs/dbraw/zinc/95/68/44/322956844.db2.gz DXNSKCUVAQPACV-NSHDSACASA-N 1 0 205.305 2.402 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000166514419 640644011 /nfs/dbraw/zinc/64/40/11/640644011.db2.gz OLEZGUIWEPKGHI-QMMMGPOBSA-N 1 0 209.676 2.157 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000307960946 322960832 /nfs/dbraw/zinc/96/08/32/322960832.db2.gz WVRICDNAGNIZIO-SECBINFHSA-N 1 0 239.281 2.492 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000306441242 643324871 /nfs/dbraw/zinc/32/48/71/643324871.db2.gz IXHIXHYEADTVGW-JTQLQIEISA-N 1 0 203.713 2.240 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000157009806 487888729 /nfs/dbraw/zinc/88/87/29/487888729.db2.gz YODFUTMMPCATNF-LOWVWBTDSA-N 1 0 232.327 2.013 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000677132581 487888633 /nfs/dbraw/zinc/88/86/33/487888633.db2.gz GSDQBNVPEULVNH-MRXNPFEDSA-N 1 0 243.350 2.343 20 30 BEEDRO C[C@@H](CC#N)C(=O)Nc1ccccc1C[NH+](C)C ZINC000596786538 487903480 /nfs/dbraw/zinc/90/34/80/487903480.db2.gz ZPLHMTUTCQWNBB-NSHDSACASA-N 1 0 245.326 2.236 20 30 BEEDRO C=CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396326058 487907667 /nfs/dbraw/zinc/90/76/67/487907667.db2.gz UBPGALFVQAOJLC-UHFFFAOYSA-N 1 0 237.265 2.388 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000428704660 487908167 /nfs/dbraw/zinc/90/81/67/487908167.db2.gz AABHFCKIASRMBP-SDDRHHMPSA-N 1 0 245.313 2.291 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1([NH+](C)C)CC1 ZINC000669049554 487911144 /nfs/dbraw/zinc/91/11/44/487911144.db2.gz WNUSITJTOAEDLI-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000671120238 487915923 /nfs/dbraw/zinc/91/59/23/487915923.db2.gz IQVARRYKARNJEG-GFCCVEGCSA-N 1 0 245.326 2.188 20 30 BEEDRO C=CCC1([NH2+][C@H](C)COCC)CCOCC1 ZINC000668552453 487923018 /nfs/dbraw/zinc/92/30/18/487923018.db2.gz MSCCPIJHVAWZHW-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC1([NH2+][C@H](C)[C@@H]2CCOC2)CCOCC1 ZINC000668551807 487923224 /nfs/dbraw/zinc/92/32/24/487923224.db2.gz XPUGIPBCAAUVKS-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCCC(C)(C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000659556374 487939417 /nfs/dbraw/zinc/93/94/17/487939417.db2.gz RYKYITPWQKLUBM-QWRGUYRKSA-N 1 0 241.379 2.156 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560115326 322982946 /nfs/dbraw/zinc/98/29/46/322982946.db2.gz KYTLUKAUUDWWSN-ITGUQSILSA-N 1 0 227.348 2.125 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C1Cc2ccccc2C1 ZINC000562243686 323013875 /nfs/dbraw/zinc/01/38/75/323013875.db2.gz YGUPBUYXYKQXAG-GFCCVEGCSA-N 1 0 239.322 2.187 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000562345008 323017384 /nfs/dbraw/zinc/01/73/84/323017384.db2.gz RWRCGKUUXHFWSK-CHWSQXEVSA-N 1 0 247.342 2.121 20 30 BEEDRO Cc1ccccc1[C@H](CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000562523404 323022372 /nfs/dbraw/zinc/02/23/72/323022372.db2.gz QATNAHAIMFPPNY-YDHLFZDLSA-N 1 0 244.338 2.310 20 30 BEEDRO Cc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000562523403 323022403 /nfs/dbraw/zinc/02/24/03/323022403.db2.gz QATNAHAIMFPPNY-NFAWXSAZSA-N 1 0 244.338 2.310 20 30 BEEDRO C=CCCCC[N@@H+](CCO)Cc1cccnc1 ZINC000562533341 323023149 /nfs/dbraw/zinc/02/31/49/323023149.db2.gz LVIMTXOQOTWYQX-UHFFFAOYSA-N 1 0 234.343 2.232 20 30 BEEDRO C=CCCCC[N@H+]1CCN(CC)C[C@@H]1C ZINC000562538835 323023787 /nfs/dbraw/zinc/02/37/87/323023787.db2.gz HLDXGTRNVNIPQB-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1C[C@@H](C)C[C@H](C)C1 ZINC000248520841 323023882 /nfs/dbraw/zinc/02/38/82/323023882.db2.gz REOIFGMBNYLBSG-SDDRHHMPSA-N 1 0 211.349 2.338 20 30 BEEDRO CN(Cc1ccc(C#N)cc1[N+](=O)[O-])C1CC1 ZINC000569853193 323042792 /nfs/dbraw/zinc/04/27/92/323042792.db2.gz YNTHTBAQUJVEOL-UHFFFAOYSA-N 1 0 231.255 2.061 20 30 BEEDRO C=C(C)CCN(CC[NH+](C)C)Cc1ccccn1 ZINC000570824509 323071824 /nfs/dbraw/zinc/07/18/24/323071824.db2.gz RGDBPGRLDKEGFY-UHFFFAOYSA-N 1 0 247.386 2.411 20 30 BEEDRO CC[N@H+](CCCSCC#N)C(C)C ZINC000173870616 323073854 /nfs/dbraw/zinc/07/38/54/323073854.db2.gz BOCSHYOHTQLOGO-UHFFFAOYSA-N 1 0 200.351 2.364 20 30 BEEDRO C#CCN(CC#CC)C[C@@H](C)C(F)(F)F ZINC000490839112 323075559 /nfs/dbraw/zinc/07/55/59/323075559.db2.gz GISVMZBGWIFAPT-SNVBAGLBSA-N 1 0 217.234 2.143 20 30 BEEDRO CCC1(CC)[C@@H]([NH2+]CCCC#N)C[C@@H]1OC ZINC000184087751 323086815 /nfs/dbraw/zinc/08/68/15/323086815.db2.gz ZFRJUBAPGCMYFD-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[NH+]1CCN([C@H](C)c2cccnc2)CC1 ZINC000118836120 323087301 /nfs/dbraw/zinc/08/73/01/323087301.db2.gz HCDSMTCEAWBNGO-CQSZACIVSA-N 1 0 245.370 2.336 20 30 BEEDRO C=C(C)C[NH+]1CCN([C@@H](C)c2cccnc2)CC1 ZINC000118836118 323087361 /nfs/dbraw/zinc/08/73/61/323087361.db2.gz HCDSMTCEAWBNGO-AWEZNQCLSA-N 1 0 245.370 2.336 20 30 BEEDRO C=CCCCC[NH2+]C(C)(C)CN1CCOCC1 ZINC000565350023 323094026 /nfs/dbraw/zinc/09/40/26/323094026.db2.gz SZQVYNZDGIBABY-UHFFFAOYSA-N 1 0 240.391 2.043 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000563126023 323094210 /nfs/dbraw/zinc/09/42/10/323094210.db2.gz QQQLUUVMMLWNOG-NEPJUHHUSA-N 1 0 238.375 2.330 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccccc1C#N ZINC000563216171 323103164 /nfs/dbraw/zinc/10/31/64/323103164.db2.gz CEFUNPQZPVVTGO-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000563367936 323121622 /nfs/dbraw/zinc/12/16/22/323121622.db2.gz XYBHXBXNVKKGGO-GJZGRUSLSA-N 1 0 246.354 2.262 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCC12CC2 ZINC000563443523 323126800 /nfs/dbraw/zinc/12/68/00/323126800.db2.gz GXNBLZSVOLYXSR-RWMBFGLXSA-N 1 0 221.344 2.500 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)nc1 ZINC000571222167 323138375 /nfs/dbraw/zinc/13/83/75/323138375.db2.gz CPCOJVJEFVIYOZ-ZDUSSCGKSA-N 1 0 227.311 2.185 20 30 BEEDRO CC[C@H](CC#N)NCc1nccn1C(C)C ZINC000571294995 323140686 /nfs/dbraw/zinc/14/06/86/323140686.db2.gz LXUVUWKLMDRQPI-LLVKDONJSA-N 1 0 220.320 2.246 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252730911 323141678 /nfs/dbraw/zinc/14/16/78/323141678.db2.gz NKTYUAYLJMGZRC-CYDGBPFRSA-N 1 0 211.349 2.480 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCC#N ZINC000571397580 323143511 /nfs/dbraw/zinc/14/35/11/323143511.db2.gz JHHCSKMIACOVHN-GXTWGEPZSA-N 1 0 232.327 2.044 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cnnn1CC ZINC000571536746 323147512 /nfs/dbraw/zinc/14/75/12/323147512.db2.gz QLGCLVPMWOELEU-UHFFFAOYSA-N 1 0 222.336 2.134 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000571547415 323148102 /nfs/dbraw/zinc/14/81/02/323148102.db2.gz KXLQTAKSYASPPL-KBPBESRZSA-N 1 0 229.327 2.214 20 30 BEEDRO C=CC1CC[NH+](CC(=O)NCCCCC)CC1 ZINC000111693236 323162734 /nfs/dbraw/zinc/16/27/34/323162734.db2.gz NJPBSOCZMMFMTB-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305123288 323167412 /nfs/dbraw/zinc/16/74/12/323167412.db2.gz HQYCSQFMBYBDBD-SNVBAGLBSA-N 1 0 237.265 2.198 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC1(C#N)CCC1 ZINC000563719403 323175549 /nfs/dbraw/zinc/17/55/49/323175549.db2.gz ZPFKKVWBAOWHQA-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000308817927 323178926 /nfs/dbraw/zinc/17/89/26/323178926.db2.gz BDSFOPWFKKZBOB-WDEREUQCSA-N 1 0 213.296 2.059 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1ccccc1F ZINC000289580768 323181262 /nfs/dbraw/zinc/18/12/62/323181262.db2.gz BMQVIRNZFWFYBS-YPMHNXCESA-N 1 0 237.318 2.283 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)C1CCCCC1 ZINC000308929008 323181784 /nfs/dbraw/zinc/18/17/84/323181784.db2.gz LOTLUYWJXNDLBT-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@H](CC)NC(=O)NCCC[NH2+]C(C)C ZINC000518941601 323188987 /nfs/dbraw/zinc/18/89/87/323188987.db2.gz MYJZDYDIMGNIOT-LBPRGKRZSA-N 1 0 241.379 2.028 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000536003240 323195109 /nfs/dbraw/zinc/19/51/09/323195109.db2.gz OJTJLVZYGGEKRD-UHFFFAOYSA-N 1 0 245.326 2.245 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398957892 323195468 /nfs/dbraw/zinc/19/54/68/323195468.db2.gz JVSIXAVJILYXKL-UHFFFAOYSA-N 1 0 245.370 2.182 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000677048466 487959391 /nfs/dbraw/zinc/95/93/91/487959391.db2.gz YQGDFJMAFMOZBY-CABCVRRESA-N 1 0 234.387 2.349 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC(=O)NCCC)C1CC1 ZINC000120389503 323985714 /nfs/dbraw/zinc/98/57/14/323985714.db2.gz YIKZBSRTNQMXLD-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000398105707 324217966 /nfs/dbraw/zinc/21/79/66/324217966.db2.gz VMVFDJFARBBJTO-DTWKUNHWSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCOCCC[NH2+]C1CC(OC(C)C)C1 ZINC000668581992 487962861 /nfs/dbraw/zinc/96/28/61/487962861.db2.gz PPADMXFQTUBVOC-UHFFFAOYSA-N 1 0 227.348 2.125 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H]1CC ZINC000328268638 324367869 /nfs/dbraw/zinc/36/78/69/324367869.db2.gz NCPSBJPFUGGPRR-KBPBESRZSA-N 1 0 222.376 2.110 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)nn1 ZINC000653558504 487965133 /nfs/dbraw/zinc/96/51/33/487965133.db2.gz GCJYZIVCOGSRAW-RYUDHWBXSA-N 1 0 234.347 2.085 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)nn1 ZINC000653558505 487965225 /nfs/dbraw/zinc/96/52/25/487965225.db2.gz GCJYZIVCOGSRAW-VXGBXAGGSA-N 1 0 234.347 2.085 20 30 BEEDRO COCCCCC[NH+]1CCC(CC#N)CC1 ZINC000541953860 325000803 /nfs/dbraw/zinc/00/08/03/325000803.db2.gz USLHPIUSQMPYLW-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO COc1cc(C[NH+]2CCC(CC#N)CC2)ccn1 ZINC000543807897 325115329 /nfs/dbraw/zinc/11/53/29/325115329.db2.gz QBLQZROVBKUXFO-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)[C@@H]2CCOC2)cc1 ZINC000132021510 325195600 /nfs/dbraw/zinc/19/56/00/325195600.db2.gz GLDKDINTBYNPIV-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000545397129 325219237 /nfs/dbraw/zinc/21/92/37/325219237.db2.gz HIXYTQVCLYXBBL-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C(C)C)C1CC1 ZINC000075609867 325303169 /nfs/dbraw/zinc/30/31/69/325303169.db2.gz NKUXORKGAGFFRS-UHFFFAOYSA-N 1 0 236.359 2.060 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2nccs2)CC1 ZINC000551976112 325577882 /nfs/dbraw/zinc/57/78/82/325577882.db2.gz JCCDYQNMLRARIQ-UHFFFAOYSA-N 1 0 237.372 2.231 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248872419 325625243 /nfs/dbraw/zinc/62/52/43/325625243.db2.gz IDQWJWZLTVMXMY-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249031028 325633575 /nfs/dbraw/zinc/63/35/75/325633575.db2.gz RCSOSRGGVHQYNT-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000249045402 325634185 /nfs/dbraw/zinc/63/41/85/325634185.db2.gz HHSAPSUPPRZSOD-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000556235160 325786391 /nfs/dbraw/zinc/78/63/91/325786391.db2.gz KOCNLGQPFQNSAB-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000564630827 325799535 /nfs/dbraw/zinc/79/95/35/325799535.db2.gz WETYUHOQNTZBLW-ZLKJLUDKSA-N 1 0 230.311 2.386 20 30 BEEDRO C=C[C@H](CC(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000566296454 326030114 /nfs/dbraw/zinc/03/01/14/326030114.db2.gz SUNJESHCAPPIAX-QWHCGFSZSA-N 1 0 246.354 2.200 20 30 BEEDRO Cn1cc([C@@H]2C[N@H+](CCCC#N)CC2(C)C)cn1 ZINC000566657330 326071244 /nfs/dbraw/zinc/07/12/44/326071244.db2.gz QMMKVPJSSHDPCF-ZDUSSCGKSA-N 1 0 246.358 2.149 20 30 BEEDRO N#CCC[NH2+][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000566733662 326078128 /nfs/dbraw/zinc/07/81/28/326078128.db2.gz XELKJVHLZPRZEQ-HZSPNIEDSA-N 1 0 212.296 2.218 20 30 BEEDRO C=CCCCCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566808018 326085610 /nfs/dbraw/zinc/08/56/10/326085610.db2.gz XURGEYNOWOFYIC-NWDGAFQWSA-N 1 0 241.379 2.158 20 30 BEEDRO CCC(C)(C)OCC[NH2+]C[C@H](C#N)CCC#N ZINC000566845924 326087047 /nfs/dbraw/zinc/08/70/47/326087047.db2.gz JGGKYIJZGRQUIH-LBPRGKRZSA-N 1 0 237.347 2.225 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cncn1C ZINC000309757075 326165840 /nfs/dbraw/zinc/16/58/40/326165840.db2.gz LTKXYTLXGUDWGP-NWDGAFQWSA-N 1 0 221.348 2.153 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000567468278 326198775 /nfs/dbraw/zinc/19/87/75/326198775.db2.gz GZUHUCGASKQHQK-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@@H]1[C@H](C)OCCN1Cc1ccc(C#N)cc1F ZINC000156026532 326216918 /nfs/dbraw/zinc/21/69/18/326216918.db2.gz OYJLSHKBTGDVSV-MNOVXSKESA-N 1 0 248.301 2.307 20 30 BEEDRO CC#CCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000156479370 326233542 /nfs/dbraw/zinc/23/35/42/326233542.db2.gz XSUCPSQOQLXAAQ-NSHDSACASA-N 1 0 249.276 2.035 20 30 BEEDRO COc1cccc(C[C@H](C)[NH2+]CCC#N)c1 ZINC000567692512 326245956 /nfs/dbraw/zinc/24/59/56/326245956.db2.gz VVMCUAMHDWJNEW-NSHDSACASA-N 1 0 218.300 2.129 20 30 BEEDRO C=C[C@@H](CC(=O)NC[C@H]([NH3+])CC)c1ccccc1 ZINC000567982331 326290924 /nfs/dbraw/zinc/29/09/24/326290924.db2.gz VWPIRYFGDAVXOF-GXTWGEPZSA-N 1 0 246.354 2.200 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000568149234 326313270 /nfs/dbraw/zinc/31/32/70/326313270.db2.gz FKRUDCQILWWDGV-JSGCOSHPSA-N 1 0 246.354 2.405 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000568149233 326313299 /nfs/dbraw/zinc/31/32/99/326313299.db2.gz FKRUDCQILWWDGV-GXTWGEPZSA-N 1 0 246.354 2.405 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000568149235 326313390 /nfs/dbraw/zinc/31/33/90/326313390.db2.gz FKRUDCQILWWDGV-OCCSQVGLSA-N 1 0 246.354 2.405 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000158993702 326347585 /nfs/dbraw/zinc/34/75/85/326347585.db2.gz HLIBMVKHGFEIRV-UHFFFAOYSA-N 1 0 249.358 2.115 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000568715038 326372947 /nfs/dbraw/zinc/37/29/47/326372947.db2.gz BSSOCBKUNOJIEF-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(F)(F)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000568742163 326374439 /nfs/dbraw/zinc/37/44/39/326374439.db2.gz LOPBKCJXJOYJDQ-SECBINFHSA-N 1 0 215.247 2.065 20 30 BEEDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000568920812 326382467 /nfs/dbraw/zinc/38/24/67/326382467.db2.gz VXBWYWZAWCRYMD-SOUVJXGZSA-N 1 0 242.322 2.313 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cncnc1C ZINC000569000711 326386098 /nfs/dbraw/zinc/38/60/98/326386098.db2.gz NFACOBGFHYNHEL-BNOWGMLFSA-N 1 0 247.342 2.169 20 30 BEEDRO N#CCCC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000569239236 326397117 /nfs/dbraw/zinc/39/71/17/326397117.db2.gz XQKHHTHHNXSZOA-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000569307659 326399544 /nfs/dbraw/zinc/39/95/44/326399544.db2.gz GVWQHLVOCVXGJS-AWEZNQCLSA-N 1 0 241.375 2.469 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000572869071 326415957 /nfs/dbraw/zinc/41/59/57/326415957.db2.gz PHMYUHJFVYTKCR-UBHSHLNASA-N 1 0 231.343 2.456 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H](C)c1cccs1 ZINC000677133155 487980321 /nfs/dbraw/zinc/98/03/21/487980321.db2.gz KHWMHZOIQRXXJS-NSHDSACASA-N 1 0 223.341 2.391 20 30 BEEDRO C=CCN1CC[C@H]([NH2+]C(C(C)C)C(C)C)C1=O ZINC000685002967 487989034 /nfs/dbraw/zinc/98/90/34/487989034.db2.gz GEMCHYBQOIFJDG-LBPRGKRZSA-N 1 0 238.375 2.044 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172745382 974918716 /nfs/dbraw/zinc/91/87/16/974918716.db2.gz INQLILCLKMIZFF-NWDGAFQWSA-N 1 0 240.347 2.389 20 30 BEEDRO C=CCOCC[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000661742704 488003499 /nfs/dbraw/zinc/00/34/99/488003499.db2.gz XLTGYASDVLOXBG-UHFFFAOYSA-N 1 0 247.338 2.256 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCO[C@H](CC)C1 ZINC000490934453 488028002 /nfs/dbraw/zinc/02/80/02/488028002.db2.gz IDTSCHRFRJPGBA-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](C[C@@H](C)C(F)(F)F)C1CC1 ZINC000491704358 488038352 /nfs/dbraw/zinc/03/83/52/488038352.db2.gz OTJSMFFBSUJGLH-MRVPVSSYSA-N 1 0 205.223 2.282 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1OCC ZINC000677477546 488046349 /nfs/dbraw/zinc/04/63/49/488046349.db2.gz KYIHTBXZSANDDX-CQSZACIVSA-N 1 0 249.354 2.454 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2sccc2C1 ZINC000677476799 488045988 /nfs/dbraw/zinc/04/59/88/488045988.db2.gz GNBBQXRVYVVYPF-NSHDSACASA-N 1 0 223.341 2.043 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000677477032 488046792 /nfs/dbraw/zinc/04/67/92/488046792.db2.gz NDXARTWWVCJWFC-ZDUSSCGKSA-N 1 0 217.312 2.329 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677477955 488048295 /nfs/dbraw/zinc/04/82/95/488048295.db2.gz GMAHCYJNQXLCSB-AWEZNQCLSA-N 1 0 249.354 2.372 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000677479221 488048305 /nfs/dbraw/zinc/04/83/05/488048305.db2.gz HDBSLILLDNYDNT-HNNXBMFYSA-N 1 0 233.355 2.459 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)C[C@@H]1CCOC1 ZINC000683002306 488084278 /nfs/dbraw/zinc/08/42/78/488084278.db2.gz IILVCJBZDLSYIC-INIZCTEOSA-N 1 0 243.350 2.397 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000683011299 488090321 /nfs/dbraw/zinc/09/03/21/488090321.db2.gz HXZGVJUULUCXHM-OAHLLOKOSA-N 1 0 229.323 2.149 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000237044600 488102011 /nfs/dbraw/zinc/10/20/11/488102011.db2.gz RUEDYGBAUIZRAV-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCN(C(=O)Nc1cccc(C[NH3+])c1)C1CC1 ZINC000667736742 488104533 /nfs/dbraw/zinc/10/45/33/488104533.db2.gz QLXIHZYQYIOIEC-UHFFFAOYSA-N 1 0 245.326 2.328 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCc2ccccc2CC1 ZINC000677481003 488108137 /nfs/dbraw/zinc/10/81/37/488108137.db2.gz ZEVTVNOAYGTTJR-OAHLLOKOSA-N 1 0 231.339 2.024 20 30 BEEDRO COCC#CCN1CCc2sccc2[C@H]1C ZINC000677817046 488129864 /nfs/dbraw/zinc/12/98/64/488129864.db2.gz FYYDPPDLIGTOFF-LLVKDONJSA-N 1 0 235.352 2.317 20 30 BEEDRO COCC#CC[N@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC000677817111 488130196 /nfs/dbraw/zinc/13/01/96/488130196.db2.gz HWUANAXLHPGECS-CYBMUJFWSA-N 1 0 247.338 2.338 20 30 BEEDRO COCC#CC[NH2+][C@]1(C)CCCc2ccccc21 ZINC000677818673 488133342 /nfs/dbraw/zinc/13/33/42/488133342.db2.gz FPGSNAZWLGCGKU-MRXNPFEDSA-N 1 0 243.350 2.478 20 30 BEEDRO COCC#CC[NH2+]C1(c2ccccc2)CCC1 ZINC000677818622 488133496 /nfs/dbraw/zinc/13/34/96/488133496.db2.gz DMMWZEFFGCXOCO-UHFFFAOYSA-N 1 0 229.323 2.305 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)CCC(=O)OC(C)C ZINC001172753650 974930851 /nfs/dbraw/zinc/93/08/51/974930851.db2.gz UVEQZHVBGHWZOJ-CYBMUJFWSA-N 1 0 239.359 2.500 20 30 BEEDRO C=C1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000382554730 487546626 /nfs/dbraw/zinc/54/66/26/487546626.db2.gz HGIMRXFQORLVDY-UHFFFAOYSA-N 1 0 202.301 2.421 20 30 BEEDRO C=C(C)CCNC(=O)CC[NH+]1CCCC[C@H]1C ZINC000456121741 487554537 /nfs/dbraw/zinc/55/45/37/487554537.db2.gz MXSBFJKMEHPLCR-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C)nc1CC ZINC000169018081 487555309 /nfs/dbraw/zinc/55/53/09/487555309.db2.gz AXWMGFFJSDPKLB-UHFFFAOYSA-N 1 0 207.321 2.038 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000684962721 487475695 /nfs/dbraw/zinc/47/56/95/487475695.db2.gz FBMURXKJPXNLDB-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC(=O)NCC1CC[NH+](CC)CC1 ZINC000673934997 487486288 /nfs/dbraw/zinc/48/62/88/487486288.db2.gz JHBTUDDVOFAVKF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161269380 487487148 /nfs/dbraw/zinc/48/71/48/487487148.db2.gz XGHCVZZCZCHDRF-STQMWFEESA-N 1 0 236.359 2.141 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000679953913 487501145 /nfs/dbraw/zinc/50/11/45/487501145.db2.gz LMUGSNXSIFGKOX-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1CC(C)C ZINC000677818733 487512798 /nfs/dbraw/zinc/51/27/98/487512798.db2.gz VBDJXNKSFASNEA-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO CCC1(CC)CC[N@H+](CC#CCOC)C1 ZINC000677820782 487520691 /nfs/dbraw/zinc/52/06/91/487520691.db2.gz WPJGXUYXROOILK-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO CCC[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC000677820760 487521120 /nfs/dbraw/zinc/52/11/20/487521120.db2.gz VWQJYKVXKNGVBW-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000680091387 487534840 /nfs/dbraw/zinc/53/48/40/487534840.db2.gz MORQSNGTQRELOP-VXGBXAGGSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000157009226 487888541 /nfs/dbraw/zinc/88/85/41/487888541.db2.gz PMQMHGVDJHFOQT-WCQYABFASA-N 1 0 232.327 2.157 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccnn1CCC ZINC000164863766 487903299 /nfs/dbraw/zinc/90/32/99/487903299.db2.gz UIRQZGAJGRCEQN-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000491679026 488036527 /nfs/dbraw/zinc/03/65/27/488036527.db2.gz WBQPFPQXDWCWPO-LLVKDONJSA-N 1 0 203.285 2.149 20 30 BEEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H]1c1ccccc1 ZINC000677820158 488135762 /nfs/dbraw/zinc/13/57/62/488135762.db2.gz IDSACWYBOPRDCA-HIFRSBDPSA-N 1 0 229.323 2.329 20 30 BEEDRO CC[C@]1(C)CCC[N@H+](CC#CCOC)C1 ZINC000677820085 488135954 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C=CC[C@H]1CC[C@@H]([NH2+]CCc2cn[nH]c2)C1 ZINC000651813583 490144022 /nfs/dbraw/zinc/14/40/22/490144022.db2.gz QNVYCJGDKNKLOB-WCQYABFASA-N 1 0 219.332 2.287 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000651813092 490144123 /nfs/dbraw/zinc/14/41/23/490144123.db2.gz WRNXZGWWMROJED-YNEHKIRRSA-N 1 0 209.333 2.500 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000677047869 490324618 /nfs/dbraw/zinc/32/46/18/490324618.db2.gz IIUYNTVDKSOHMN-ZIAGYGMSSA-N 1 0 245.370 2.086 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cncnc2OC)C1 ZINC000668493449 490333279 /nfs/dbraw/zinc/33/32/79/490333279.db2.gz NUXMLFUZHNLZTE-GFCCVEGCSA-N 1 0 247.342 2.273 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CC2(CO)CC2)cc1 ZINC000080246513 490628793 /nfs/dbraw/zinc/62/87/93/490628793.db2.gz SEAYBRMBFLLBDY-UHFFFAOYSA-N 1 0 247.338 2.114 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H]1CCC[C@@H](C)C1 ZINC000677817739 490664497 /nfs/dbraw/zinc/66/44/97/490664497.db2.gz ATRQTBJQUXNJGE-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCN(Cc1ccccc1)Cc1cncnc1 ZINC000491744308 491080438 /nfs/dbraw/zinc/08/04/38/491080438.db2.gz IWANHVNIIJXGLE-UHFFFAOYSA-N 1 0 237.306 2.112 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(OCC)c1 ZINC000310237130 491160868 /nfs/dbraw/zinc/16/08/68/491160868.db2.gz RTOHCWHGRJSZJC-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000890811653 582572506 /nfs/dbraw/zinc/57/25/06/582572506.db2.gz LBJGQGMRVVHZDY-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000488431246 534029406 /nfs/dbraw/zinc/02/94/06/534029406.db2.gz HKQGJOWQKKZJEO-YPMHNXCESA-N 1 0 230.311 2.183 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)[C@H]1CCOC1 ZINC000361589651 535766039 /nfs/dbraw/zinc/76/60/39/535766039.db2.gz QLGQFUWJYMFRSS-HNNXBMFYSA-N 1 0 229.323 2.149 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000891796072 582722952 /nfs/dbraw/zinc/72/29/52/582722952.db2.gz BERNZAZNEAAIHQ-VIFPVBQESA-N 1 0 206.314 2.462 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1(OC)CCCC1 ZINC000309163425 536055898 /nfs/dbraw/zinc/05/58/98/536055898.db2.gz HYVHHXICHAZQLZ-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000336109395 536085415 /nfs/dbraw/zinc/08/54/15/536085415.db2.gz WHUBCYOCQMUEFZ-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892022389 582763614 /nfs/dbraw/zinc/76/36/14/582763614.db2.gz XNJCCLPGPJHSFK-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000336766819 534324674 /nfs/dbraw/zinc/32/46/74/534324674.db2.gz SLKZJJCUAVYBPZ-TUAOUCFPSA-N 1 0 227.373 2.063 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccco1 ZINC000280615430 534325336 /nfs/dbraw/zinc/32/53/36/534325336.db2.gz KNJRZWSALFHQNW-AAEUAGOBSA-N 1 0 221.300 2.350 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnccc1C ZINC000280576604 534325506 /nfs/dbraw/zinc/32/55/06/534325506.db2.gz HDFNUDZXOPEKMA-ZFWWWQNUSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000294940949 534340550 /nfs/dbraw/zinc/34/05/50/534340550.db2.gz DSRCHNQMURATER-AAEUAGOBSA-N 1 0 232.327 2.076 20 30 BEEDRO CNC(=[NH2+])NCC(C)(C)c1cccc(Cl)c1 ZINC000264073809 536304658 /nfs/dbraw/zinc/30/46/58/536304658.db2.gz FBIWNCMSIQUAAL-UHFFFAOYSA-N 1 0 239.750 2.152 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCSCC1 ZINC000336686830 534352200 /nfs/dbraw/zinc/35/22/00/534352200.db2.gz UTDGFFNJWPWBNI-DGCLKSJQSA-N 1 0 241.400 2.453 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC000280576614 534353067 /nfs/dbraw/zinc/35/30/67/534353067.db2.gz HDIOLMWUIPHFQV-ZIAGYGMSSA-N 1 0 232.327 2.152 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)CSC ZINC000223787698 534354174 /nfs/dbraw/zinc/35/41/74/534354174.db2.gz QAWQHOIVXSPKCN-QJPTWQEYSA-N 1 0 231.405 2.291 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccncc1C ZINC000296736957 534354371 /nfs/dbraw/zinc/35/43/71/534354371.db2.gz JWHGGAXQIAHIHW-HUUCEWRRSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000309736419 534357582 /nfs/dbraw/zinc/35/75/82/534357582.db2.gz GPDJTVUXHNOIBL-GUBZILKMSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1ccn(C)n1 ZINC000309733893 534357677 /nfs/dbraw/zinc/35/76/77/534357677.db2.gz FXNRDFKDDFIVLR-RYUDHWBXSA-N 1 0 221.348 2.153 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000358245423 534360258 /nfs/dbraw/zinc/36/02/58/534360258.db2.gz IPMMTBWPPXBNLF-WUHRBBMRSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000308844952 534357061 /nfs/dbraw/zinc/35/70/61/534357061.db2.gz LVDQXCJDDMYJST-GMXVVIOVSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(CNC(=[NH2+])NCC(C)C)c1ccccc1 ZINC000287028481 534369096 /nfs/dbraw/zinc/36/90/96/534369096.db2.gz GYNDXACJEKSHSK-UHFFFAOYSA-N 1 0 231.343 2.260 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCn1ccnc1 ZINC000096034256 518721326 /nfs/dbraw/zinc/72/13/26/518721326.db2.gz OTSNDEWESKRGEQ-LBPRGKRZSA-N 1 0 207.321 2.218 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(C=C)c1 ZINC000281368408 534378407 /nfs/dbraw/zinc/37/84/07/534378407.db2.gz NQCYNVCSLIBNRH-LBPRGKRZSA-N 1 0 205.305 2.428 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000338342085 534384794 /nfs/dbraw/zinc/38/47/94/534384794.db2.gz FICPMDWDICFKOB-GFCCVEGCSA-N 1 0 246.358 2.035 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@H]1CCC(=O)NC ZINC000353171387 534386102 /nfs/dbraw/zinc/38/61/02/534386102.db2.gz IHGFQIFETLXTEH-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)C1 ZINC000358506189 534388814 /nfs/dbraw/zinc/38/88/14/534388814.db2.gz IVKBIQFLYLPTEI-JTQLQIEISA-N 1 0 237.265 2.342 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CCC2(CC2)CC1 ZINC000309595545 534394404 /nfs/dbraw/zinc/39/44/04/534394404.db2.gz ULFQXPMWZKBFPW-LBPRGKRZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C(CC)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000358503180 534399406 /nfs/dbraw/zinc/39/94/06/534399406.db2.gz XEZFAIYHNMFYQI-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C/C=C/c1ccccc1 ZINC000341288253 534396250 /nfs/dbraw/zinc/39/62/50/534396250.db2.gz ZXJBZRCYHMHLGS-WGPYJDKQSA-N 1 0 231.339 2.474 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000355379987 534396150 /nfs/dbraw/zinc/39/61/50/534396150.db2.gz NDEDHOQEUFHBLH-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000355379988 534396370 /nfs/dbraw/zinc/39/63/70/534396370.db2.gz NDEDHOQEUFHBLH-RYUDHWBXSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000309115143 534400001 /nfs/dbraw/zinc/40/00/01/534400001.db2.gz LEWJEEJWKCCMMN-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@@H](CC)O[C@@]2(CCOC2)C1 ZINC000361502281 534402107 /nfs/dbraw/zinc/40/21/07/534402107.db2.gz WBDXNZZSMZLNPA-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCc2ccccc21 ZINC000341882504 534402500 /nfs/dbraw/zinc/40/25/00/534402500.db2.gz HFCUGOUAFWXZFS-WFASDCNBSA-N 1 0 231.339 2.448 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC(C(F)F)CC1 ZINC000336706969 534405942 /nfs/dbraw/zinc/40/59/42/534405942.db2.gz PZNUJLGWLCQMKI-VQXHTEKXSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CC(=O)NC)c1ccccc1 ZINC000361639939 534419350 /nfs/dbraw/zinc/41/93/50/534419350.db2.gz QZMFBOTXRQSMQG-CQSZACIVSA-N 1 0 246.354 2.420 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)NC[C@@H]([NH3+])CC ZINC000892142664 582799691 /nfs/dbraw/zinc/79/96/91/582799691.db2.gz AGMININMXNUTKH-NSHDSACASA-N 1 0 241.379 2.015 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000377644484 534440433 /nfs/dbraw/zinc/44/04/33/534440433.db2.gz OQGNHXJQBOJZKW-LLVKDONJSA-N 1 0 217.740 2.079 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000377493727 534440505 /nfs/dbraw/zinc/44/05/05/534440505.db2.gz SJCFHWWAEMIEIB-NSHDSACASA-N 1 0 217.740 2.223 20 30 BEEDRO C=C(Cl)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367606360 534441438 /nfs/dbraw/zinc/44/14/38/534441438.db2.gz WJLXNGLFUVUHIB-NWDGAFQWSA-N 1 0 228.767 2.298 20 30 BEEDRO C=C1CC[NH+](CC2(COC)CCC2)CC1 ZINC000361285896 534466322 /nfs/dbraw/zinc/46/63/22/534466322.db2.gz GCHKWVQTBPLNNO-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(OC)ccc1F ZINC000339296844 534508772 /nfs/dbraw/zinc/50/87/72/534508772.db2.gz CAJNKVRBNATJHZ-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO C=CC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000337199560 534529875 /nfs/dbraw/zinc/52/98/75/534529875.db2.gz YXMRVXAIKPDOHF-JTQLQIEISA-N 1 0 237.265 2.198 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000289878763 534540244 /nfs/dbraw/zinc/54/02/44/534540244.db2.gz POTVRYFMCYQSKT-VIFPVBQESA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000291441100 534540311 /nfs/dbraw/zinc/54/03/11/534540311.db2.gz BWCLDGLVEQMOFW-GWCFXTLKSA-N 1 0 223.291 2.066 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000290004137 534541025 /nfs/dbraw/zinc/54/10/25/534541025.db2.gz ZHSIOFZOQQCKAR-AAEUAGOBSA-N 1 0 205.301 2.193 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000340427857 534553896 /nfs/dbraw/zinc/55/38/96/534553896.db2.gz VTHZFJIRZVIVNL-LLVKDONJSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC[NH+](CC)CC ZINC000120829359 534565477 /nfs/dbraw/zinc/56/54/77/534565477.db2.gz DTZCOCOTHLLOFY-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000359333699 534592289 /nfs/dbraw/zinc/59/22/89/534592289.db2.gz CEJDDQKPMQEGBH-LBPRGKRZSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CCC1(CNC(=[NH2+])N2CCC2)CCCC1 ZINC000263046871 534597099 /nfs/dbraw/zinc/59/70/99/534597099.db2.gz DBVVJFOGPCWBIF-UHFFFAOYSA-N 1 0 221.348 2.143 20 30 BEEDRO C=CCCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000372996380 534611827 /nfs/dbraw/zinc/61/18/27/534611827.db2.gz ICMCFVKUTFJLRG-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCC1(C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000359576496 534635651 /nfs/dbraw/zinc/63/56/51/534635651.db2.gz CRQQCZJJAWJCLY-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000355107178 534640696 /nfs/dbraw/zinc/64/06/96/534640696.db2.gz JJGPIIGAMWKAPY-GFCCVEGCSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CCCCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000175570341 534646567 /nfs/dbraw/zinc/64/65/67/534646567.db2.gz NTYVZOYZZIVFFZ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000178295081 534647376 /nfs/dbraw/zinc/64/73/76/534647376.db2.gz NURJKCMBOJWWAO-GFCCVEGCSA-N 1 0 226.364 2.175 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248787818 534650634 /nfs/dbraw/zinc/65/06/34/534650634.db2.gz ILUGNTMWBZNKCT-UPJWGTAASA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000175528873 534653417 /nfs/dbraw/zinc/65/34/17/534653417.db2.gz NVICTOJLGIGMPV-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000176081807 534653989 /nfs/dbraw/zinc/65/39/89/534653989.db2.gz DKMSJYAILULZHJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000262549524 534664242 /nfs/dbraw/zinc/66/42/42/534664242.db2.gz XCZAHRMLFAKBEF-CHWSQXEVSA-N 1 0 245.370 2.320 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000304396240 534665545 /nfs/dbraw/zinc/66/55/45/534665545.db2.gz ZRYJHWJWGFRBCI-JTQLQIEISA-N 1 0 219.332 2.438 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000175831146 534666556 /nfs/dbraw/zinc/66/65/56/534666556.db2.gz NMFHUMJETOOLNL-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371885357 534668156 /nfs/dbraw/zinc/66/81/56/534668156.db2.gz CXUCAFUYOYTAAK-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000309522384 534685575 /nfs/dbraw/zinc/68/55/75/534685575.db2.gz BROHQSRUIOOFFG-YPMHNXCESA-N 1 0 237.730 2.464 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000309549439 534684631 /nfs/dbraw/zinc/68/46/31/534684631.db2.gz FJSJQEDBGABDDM-BBBLOLIVSA-N 1 0 237.265 2.244 20 30 BEEDRO C=CCCCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000354265205 534686644 /nfs/dbraw/zinc/68/66/44/534686644.db2.gz NICCHZKTQGZNKM-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000354263100 534687005 /nfs/dbraw/zinc/68/70/05/534687005.db2.gz DUOUXZVSUBMIMF-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCOC1 ZINC000335389571 534694498 /nfs/dbraw/zinc/69/44/98/534694498.db2.gz SEFGHLPLEUVTRR-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000121076109 534707450 /nfs/dbraw/zinc/70/74/50/534707450.db2.gz XDNKZEZFMJZFDT-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc(OC)nc1C ZINC000337179196 534708184 /nfs/dbraw/zinc/70/81/84/534708184.db2.gz LJTKBQLQSACQIO-UHFFFAOYSA-N 1 0 235.331 2.192 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000357737703 534711159 /nfs/dbraw/zinc/71/11/59/534711159.db2.gz FMZIFDCCAZMYCL-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@H+](CC(=O)OC)[C@H](C)CC ZINC000281226351 534715012 /nfs/dbraw/zinc/71/50/12/534715012.db2.gz FATPRNHSBSSOQK-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C)N(CC)C[C@@H]1C ZINC000346204219 534722616 /nfs/dbraw/zinc/72/26/16/534722616.db2.gz ZESFNHMVYCXDGX-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)N(CC)C[C@H]1C ZINC000346204220 534723286 /nfs/dbraw/zinc/72/32/86/534723286.db2.gz ZESFNHMVYCXDGX-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000341137642 534755795 /nfs/dbraw/zinc/75/57/95/534755795.db2.gz PGYPMAUZNNGABX-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000341142986 534757775 /nfs/dbraw/zinc/75/77/75/534757775.db2.gz YHXZLRRTFQUVKN-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000341142983 534758512 /nfs/dbraw/zinc/75/85/12/534758512.db2.gz YHXZLRRTFQUVKN-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[N@@H+](C)CC[S@@](=O)c1ccccc1 ZINC000342716423 534767660 /nfs/dbraw/zinc/76/76/60/534767660.db2.gz DPQZGYMRVZLVII-MRXNPFEDSA-N 1 0 237.368 2.302 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)COc1ccccc1C ZINC000342736653 534768757 /nfs/dbraw/zinc/76/87/57/534768757.db2.gz JZTNNQOVGQGESL-AWEZNQCLSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000280297473 534769545 /nfs/dbraw/zinc/76/95/45/534769545.db2.gz FMVRMOWDZYSODE-CYBMUJFWSA-N 1 0 232.327 2.111 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CC(C)C)C(=O)OCC ZINC000338544293 534771291 /nfs/dbraw/zinc/77/12/91/534771291.db2.gz ZBCNUJAHNMILGH-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000351957342 534775055 /nfs/dbraw/zinc/77/50/55/534775055.db2.gz JUOKWBIGRDMZJA-VXGBXAGGSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000354581334 534780746 /nfs/dbraw/zinc/78/07/46/534780746.db2.gz XLPKRXWPEYYTSD-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(C)COC1)C1CC1 ZINC000121147747 534796293 /nfs/dbraw/zinc/79/62/93/534796293.db2.gz YWDXYTWHFVDIBT-GFCCVEGCSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCN1C)C1CC1 ZINC000227828197 534798153 /nfs/dbraw/zinc/79/81/53/534798153.db2.gz AXXHAFUMJJVJNV-UONOGXRCSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000361137212 534806036 /nfs/dbraw/zinc/80/60/36/534806036.db2.gz VAEZGUUBRGMLPR-MFKMUULPSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CC[NH+](CC=C)CCC(C)(C)C(=O)OC ZINC000338544409 534828413 /nfs/dbraw/zinc/82/84/13/534828413.db2.gz ODELNUFRUORRGK-UHFFFAOYSA-N 1 0 225.332 2.250 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(C)CCC(C)CC1 ZINC000262433569 534844556 /nfs/dbraw/zinc/84/45/56/534844556.db2.gz WUGFTCIAQYIJGM-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO C=CC[NH+]1CCC(c2ccccn2)CC1 ZINC000378257687 534846973 /nfs/dbraw/zinc/84/69/73/534846973.db2.gz AFJIAIRKIKGELL-UHFFFAOYSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CC[NH+]1CCC(c2ccnn2CC)CC1 ZINC000373832776 534847041 /nfs/dbraw/zinc/84/70/41/534847041.db2.gz PUAYKRATYGKAEW-UHFFFAOYSA-N 1 0 219.332 2.268 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000120442708 534859025 /nfs/dbraw/zinc/85/90/25/534859025.db2.gz FTIFVBWMFTYGQZ-GFCCVEGCSA-N 1 0 246.354 2.202 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)CCCC ZINC000336748069 534859251 /nfs/dbraw/zinc/85/92/51/534859251.db2.gz XTAOYBYLQGKVNU-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCOCCC[N@@H+](C[C@@H](C)C#N)C1CC1 ZINC000348060176 534874887 /nfs/dbraw/zinc/87/48/87/534874887.db2.gz RESDHPGDLWEQPH-LBPRGKRZSA-N 1 0 222.332 2.203 20 30 BEEDRO C=CCOCCC[N@@H+](CC)C[C@@H](C)C#N ZINC000347968961 534875144 /nfs/dbraw/zinc/87/51/44/534875144.db2.gz RZOSHQPPAPWSAQ-LBPRGKRZSA-N 1 0 210.321 2.061 20 30 BEEDRO C=CCOCC[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000339034302 534876430 /nfs/dbraw/zinc/87/64/30/534876430.db2.gz CMRHCPIPRNBZKU-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000339199681 534877240 /nfs/dbraw/zinc/87/72/40/534877240.db2.gz CGAKSZNADHOTRO-CHWSQXEVSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCOc1ccc(C[N@H+](CC)CCCO)cc1 ZINC000353676347 534882186 /nfs/dbraw/zinc/88/21/86/534882186.db2.gz XIYZXDUOLKODCN-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352551171 534886917 /nfs/dbraw/zinc/88/69/17/534886917.db2.gz VVLLOONJXQDVGB-SNVBAGLBSA-N 1 0 246.310 2.186 20 30 BEEDRO COC(=O)[C@@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000361641131 536441968 /nfs/dbraw/zinc/44/19/68/536441968.db2.gz XQGPUUVHXCMCFT-LLVKDONJSA-N 1 0 240.347 2.200 20 30 BEEDRO C[NH2+]C[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000040602038 536465830 /nfs/dbraw/zinc/46/58/30/536465830.db2.gz LQUFCGXMGXLUQO-LLVKDONJSA-N 1 0 247.317 2.133 20 30 BEEDRO C=C(CC)C[N@H+](CC)C[C@H](O)C(F)(F)F ZINC000494225115 526850989 /nfs/dbraw/zinc/85/09/89/526850989.db2.gz XWRYUQNWLIHXIZ-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C)[C@@H](C(C)C)C1 ZINC000488032869 526853061 /nfs/dbraw/zinc/85/30/61/526853061.db2.gz OYIQUQBUWRDCBO-CYBMUJFWSA-N 1 0 210.365 2.225 20 30 BEEDRO C=CCOc1ccc(C[N@H+](CC)CCO)cc1 ZINC000305733418 526862651 /nfs/dbraw/zinc/86/26/51/526862651.db2.gz OYTSWEYUHXIOPJ-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C#CC[N@@H+](CCCCCO)C1CCCC1 ZINC000304975955 526901022 /nfs/dbraw/zinc/90/10/22/526901022.db2.gz CUNUCTURJOFWFX-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000471804449 526902500 /nfs/dbraw/zinc/90/25/00/526902500.db2.gz MRTXXTTYRRYKMA-OCCSQVGLSA-N 1 0 247.338 2.207 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CCC=C)C1CCCC1 ZINC000305085258 526902486 /nfs/dbraw/zinc/90/24/86/526902486.db2.gz NTAOICDDPDDGCR-CQSZACIVSA-N 1 0 221.344 2.191 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCO[C@@H](CC)C1)C1CC1 ZINC000491427355 526902693 /nfs/dbraw/zinc/90/26/93/526902693.db2.gz KNIVATPPHDZAJF-JSGCOSHPSA-N 1 0 221.344 2.289 20 30 BEEDRO C=C1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000494311944 526903527 /nfs/dbraw/zinc/90/35/27/526903527.db2.gz GGANNHVOPDHVOU-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CCC(C)(C)C(=O)N(CC)CCC[NH+](C)C ZINC000505412499 526985057 /nfs/dbraw/zinc/98/50/57/526985057.db2.gz AYRRHMYPPXEIDJ-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495418730 527053459 /nfs/dbraw/zinc/05/34/59/527053459.db2.gz OVLJNDBTENBWAI-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCCCCC[NH+]1CCC(CO)(OC)CC1 ZINC000401703583 527132146 /nfs/dbraw/zinc/13/21/46/527132146.db2.gz BSXZTTPKJIRZMC-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCCCCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000488216303 527132536 /nfs/dbraw/zinc/13/25/36/527132536.db2.gz AXZMKPVNSOBHDT-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCC[NH+]1CCC(O)(COC)CC1 ZINC000488116577 527132611 /nfs/dbraw/zinc/13/26/11/527132611.db2.gz XSKFQONBYIFXDU-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000400468924 527135974 /nfs/dbraw/zinc/13/59/74/527135974.db2.gz WJXVUGLQVVOFGL-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCCCCC(=O)OCC ZINC000491701703 527212630 /nfs/dbraw/zinc/21/26/30/527212630.db2.gz HKVUSUIQAPXBFP-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000494670703 527251274 /nfs/dbraw/zinc/25/12/74/527251274.db2.gz GOOBXLSBOIIGLN-NEPJUHHUSA-N 1 0 209.333 2.188 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCCCCC)C(C)C ZINC000491782034 527261194 /nfs/dbraw/zinc/26/11/94/527261194.db2.gz MQEXANBNALQEML-GFCCVEGCSA-N 1 0 223.364 2.338 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)C(C)C ZINC000300912571 527289949 /nfs/dbraw/zinc/28/99/49/527289949.db2.gz MAHRKQBRHXJMGF-UONOGXRCSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(Cl)nc1)C(C)C ZINC000308841063 527291783 /nfs/dbraw/zinc/29/17/83/527291783.db2.gz KCSZBNABNVOJPC-LLVKDONJSA-N 1 0 222.719 2.482 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487233688 527294195 /nfs/dbraw/zinc/29/41/95/527294195.db2.gz PXBAGEMQTHMTKX-AGIUHOORSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCCOCC1)C(C)(C)C ZINC000308828230 527294311 /nfs/dbraw/zinc/29/43/11/527294311.db2.gz FEUULASDRNVECZ-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@H]1COCC ZINC000309061048 527363528 /nfs/dbraw/zinc/36/35/28/527363528.db2.gz WPQWQXQCRRISOL-XQQFMLRXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCC)c1ccc(F)cc1 ZINC000491813047 527376450 /nfs/dbraw/zinc/37/64/50/527376450.db2.gz JXQYEPFZDGCKBA-LBPRGKRZSA-N 1 0 233.290 2.024 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(OC)C1)c1ccc(F)cc1 ZINC000491752382 527409878 /nfs/dbraw/zinc/40/98/78/527409878.db2.gz MBIACHVECBFEFI-RUXDESIVSA-N 1 0 233.286 2.267 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)C(C)C ZINC000302372499 527411275 /nfs/dbraw/zinc/41/12/75/527411275.db2.gz OSQWDVMQRZNWAJ-ZDUSSCGKSA-N 1 0 245.322 2.205 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2n[nH]c(C)c2c1)C(C)C ZINC000491630090 527411484 /nfs/dbraw/zinc/41/14/84/527411484.db2.gz WYZIJTXRTFBLRL-ZDUSSCGKSA-N 1 0 242.326 2.014 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCCOCC1)C(C)(C)C ZINC000308828229 527412877 /nfs/dbraw/zinc/41/28/77/527412877.db2.gz FEUULASDRNVECZ-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(C)(C)C ZINC000308919900 527413406 /nfs/dbraw/zinc/41/34/06/527413406.db2.gz BYVURPGCMSKZKK-TUAOUCFPSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCOC[C@H]1C)C(C)(C)C ZINC000309097294 527414590 /nfs/dbraw/zinc/41/45/90/527414590.db2.gz DIKNCBQSNFDPIP-WOPDTQHZSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(C(=O)NCC)CCC1 ZINC000488495928 527424372 /nfs/dbraw/zinc/42/43/72/527424372.db2.gz JHIKQDAUAWPZAY-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000472930645 527494277 /nfs/dbraw/zinc/49/42/77/527494277.db2.gz FXWQOCXECGKERE-STQMWFEESA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000494629593 527577961 /nfs/dbraw/zinc/57/79/61/527577961.db2.gz MEBMZBICALJQJR-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)[C@@H]1CN(c2ccc(C#N)cc2)CC[N@@H+]1C ZINC000487098973 528753248 /nfs/dbraw/zinc/75/32/48/528753248.db2.gz SVOCVLIVVYQIJY-HNNXBMFYSA-N 1 0 243.354 2.335 20 30 BEEDRO CCC[NH+]1CCN(c2cccc(F)c2C#N)CC1 ZINC000060991597 534934482 /nfs/dbraw/zinc/93/44/82/534934482.db2.gz OFGFCAJDGXTJCM-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000373328012 534998708 /nfs/dbraw/zinc/99/87/08/534998708.db2.gz JXUCCLMTEBPWMP-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCO1 ZINC000078052206 535005365 /nfs/dbraw/zinc/00/53/65/535005365.db2.gz DGVIIWYDRALOAF-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CC1(C)SC[C@H]1NC(=[NH2+])Nc1ccccc1 ZINC000283064500 535012796 /nfs/dbraw/zinc/01/27/96/535012796.db2.gz SEXFUJUFWNGDGE-SNVBAGLBSA-N 1 0 235.356 2.307 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267404935 535065106 /nfs/dbraw/zinc/06/51/06/535065106.db2.gz GRCAVMFORXLAKY-KGLIPLIRSA-N 1 0 245.370 2.178 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1c2ccccc2O[C@@H]1C ZINC000262281896 535065337 /nfs/dbraw/zinc/06/53/37/535065337.db2.gz LDPSMSFOBQLZJM-MFKMUULPSA-N 1 0 247.342 2.069 20 30 BEEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCCC#N)C[C@@H]1O ZINC000352996289 535082444 /nfs/dbraw/zinc/08/24/44/535082444.db2.gz FRILZCLXYKJPDN-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1CC1(C)C)N1CCCC1 ZINC000263162744 535262753 /nfs/dbraw/zinc/26/27/53/535262753.db2.gz YWXCFPWHCWEZPJ-NSHDSACASA-N 1 0 223.364 2.094 20 30 BEEDRO CC[NH+]=C(NC[C@H]1CC1(C)C)NC(C)(C)C ZINC000262827582 535266440 /nfs/dbraw/zinc/26/64/40/535266440.db2.gz YUDIOOOFMPQNEG-SNVBAGLBSA-N 1 0 225.380 2.386 20 30 BEEDRO CC(C)c1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262479604 535375323 /nfs/dbraw/zinc/37/53/23/535375323.db2.gz CTCMGIKNFYKILN-NSHDSACASA-N 1 0 231.343 2.247 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCc1cccc(F)c1 ZINC000264147281 535389664 /nfs/dbraw/zinc/38/96/64/535389664.db2.gz YFAGTIHLBJFTPO-UHFFFAOYSA-N 1 0 237.322 2.025 20 30 BEEDRO CC[NH+](CC)CCCC1(C#N)CCOCC1 ZINC000337123329 535498767 /nfs/dbraw/zinc/49/87/67/535498767.db2.gz BSPHFVOFHJJKTE-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000055079959 535565474 /nfs/dbraw/zinc/56/54/74/535565474.db2.gz QHTDJLPAXXUCPD-CYBMUJFWSA-N 1 0 243.354 2.479 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)[C@H]1CC[C@@H](C#N)C1 ZINC000338943282 535769656 /nfs/dbraw/zinc/76/96/56/535769656.db2.gz KIOLKRQFTLYNMX-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[N@H+](CC(C)(C)CCC#N)[C@H]1CCOC1 ZINC000361237600 535784526 /nfs/dbraw/zinc/78/45/26/535784526.db2.gz LGEDWZXQQAAWLZ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@H+](C)[C@H](C)CC#N)CCO1 ZINC000356989359 535894907 /nfs/dbraw/zinc/89/49/07/535894907.db2.gz LMYHFBGFACSOIN-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)[C@@H]1CCOC1 ZINC000167262292 535900359 /nfs/dbraw/zinc/90/03/59/535900359.db2.gz WZZJGCOMPWCPGM-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@]1(C)C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000339114424 535918458 /nfs/dbraw/zinc/91/84/58/535918458.db2.gz XAXAEJLXJWWZML-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO C[NH+](C)CCSCc1cccc(C#N)c1F ZINC000223552525 535919481 /nfs/dbraw/zinc/91/94/81/535919481.db2.gz LEONRJIKVOTJDN-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000263130399 536065461 /nfs/dbraw/zinc/06/54/61/536065461.db2.gz NBNGGVLOHKRRAX-NWDGAFQWSA-N 1 0 223.364 2.223 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000335740958 536084971 /nfs/dbraw/zinc/08/49/71/536084971.db2.gz GTIUUFMONIAKRO-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@H]1CCCC[C@H]1O ZINC000245533193 536329149 /nfs/dbraw/zinc/32/91/49/536329149.db2.gz DITDZWVYEZBYJA-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CN1CCC[NH+]=C1NCC1CCC(F)(F)CC1 ZINC000263150423 536361182 /nfs/dbraw/zinc/36/11/82/536361182.db2.gz PJJZVABSXVUVMK-UHFFFAOYSA-N 1 0 245.317 2.093 20 30 BEEDRO C[NH2+][C@H](C)CNc1cc(Cl)ccc1C#N ZINC000261538660 536404422 /nfs/dbraw/zinc/40/44/22/536404422.db2.gz YVUXPKHSBHYVHM-MRVPVSSYSA-N 1 0 223.707 2.231 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000338994126 536761657 /nfs/dbraw/zinc/76/16/57/536761657.db2.gz FPPCXNQEFBGYKT-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCCC#N ZINC000330489343 536769618 /nfs/dbraw/zinc/76/96/18/536769618.db2.gz KGSCKXAIKFPBSR-YPMHNXCESA-N 1 0 238.331 2.002 20 30 BEEDRO COc1cnccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000339112881 537128135 /nfs/dbraw/zinc/12/81/35/537128135.db2.gz WGQGHDXIRBGDAU-TUAOUCFPSA-N 1 0 245.326 2.433 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCC(NC(C)=O)CC1 ZINC000091509877 566312300 /nfs/dbraw/zinc/31/23/00/566312300.db2.gz PPJPQTROAKUJCH-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CSCCC ZINC000893566306 583164991 /nfs/dbraw/zinc/16/49/91/583164991.db2.gz AKAAYRQPNZDOSP-MNOVXSKESA-N 1 0 217.378 2.045 20 30 BEEDRO CC[C@H]1CCCC(=[NH+]n2cnnc2)CC1 ZINC000853254386 588729439 /nfs/dbraw/zinc/72/94/39/588729439.db2.gz TWBPEJOQQFBVIU-JTQLQIEISA-N 1 0 206.293 2.473 20 30 BEEDRO CC1(C)CCCC(=[NH+]n2cnnc2)CC1 ZINC000853254553 588729716 /nfs/dbraw/zinc/72/97/16/588729716.db2.gz XGBFTTYIYDBLSZ-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO CO[C@@H](C=[NH+]n1cnc2ccccc21)C1CC1 ZINC000853284336 588730447 /nfs/dbraw/zinc/73/04/47/588730447.db2.gz YOZTWONUIXXPDD-ZDUSSCGKSA-N 1 0 229.283 2.295 20 30 BEEDRO C=CC[C@H]1CCCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000853330524 588733637 /nfs/dbraw/zinc/73/36/37/588733637.db2.gz OPPNXVHXHKEPKN-MNOVXSKESA-N 1 0 234.347 2.046 20 30 BEEDRO C[C@@H]1CCCCN1N=C1CC[N@@H+]2CCC[C@H]12 ZINC000853380375 588739509 /nfs/dbraw/zinc/73/95/09/588739509.db2.gz TUCDAXCAMWHWAV-DGCLKSJQSA-N 1 0 221.348 2.085 20 30 BEEDRO CC(=[NH+]N1CCCC[C@@H]1C)c1ccc(N)nc1 ZINC000853382208 588740056 /nfs/dbraw/zinc/74/00/56/588740056.db2.gz VMXLDUKBYMEQBL-JTQLQIEISA-N 1 0 232.331 2.262 20 30 BEEDRO C=CCCC[N@@H+](C)CN1CC[C@@H](C(C)C)C1=O ZINC000853497037 588746147 /nfs/dbraw/zinc/74/61/47/588746147.db2.gz OIAGYUOBRSNMAX-ZDUSSCGKSA-N 1 0 238.375 2.346 20 30 BEEDRO CC(CC[NH+](C)C)N=Nc1ccc(Cl)cn1 ZINC000853437298 588742304 /nfs/dbraw/zinc/74/23/04/588742304.db2.gz JKWNYGXQJGWWTG-UHFFFAOYSA-N 1 0 240.738 2.475 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOCC1CCC1 ZINC000853439578 588742739 /nfs/dbraw/zinc/74/27/39/588742739.db2.gz MEYJMYHBLLTITP-SNVBAGLBSA-N 1 0 222.332 2.273 20 30 BEEDRO C=CCN(CN1CC[C@H](C(C)C)C1=O)C1CC1 ZINC000853506255 588746599 /nfs/dbraw/zinc/74/65/99/588746599.db2.gz XHZMUIRIIBFFDO-CYBMUJFWSA-N 1 0 236.359 2.099 20 30 BEEDRO C#CCC[N@H+]1CC(C)(C)[C@H]1c1cccnc1 ZINC000854041990 588772515 /nfs/dbraw/zinc/77/25/15/588772515.db2.gz UEBOZLZHCVCYCH-CYBMUJFWSA-N 1 0 214.312 2.488 20 30 BEEDRO CCCCCCCC(=O)N(C)CC[NH2+]C ZINC000112107456 588782573 /nfs/dbraw/zinc/78/25/73/588782573.db2.gz GKOBZYZRCXMCID-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855287273 588827179 /nfs/dbraw/zinc/82/71/79/588827179.db2.gz BGKKCMDYJOCZMA-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000890547820 582470721 /nfs/dbraw/zinc/47/07/21/582470721.db2.gz FKVLJAVNTBXVBL-HZSPNIEDSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC000890549301 582470751 /nfs/dbraw/zinc/47/07/51/582470751.db2.gz KJDNJURLHHOGLY-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000890555558 582475721 /nfs/dbraw/zinc/47/57/21/582475721.db2.gz AGUDHXHZQFTUNS-NWDGAFQWSA-N 1 0 238.375 2.330 20 30 BEEDRO C[C@@H]1CC(=NOC/C=C/Cl)CC[N@@H+]1C ZINC000811669747 582487822 /nfs/dbraw/zinc/48/78/22/582487822.db2.gz UAUAKBYUAKPQQU-PCTMSYFQSA-N 1 0 216.712 2.226 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000891266544 582645493 /nfs/dbraw/zinc/64/54/93/582645493.db2.gz DTZQGJMHCKXDOH-NEPJUHHUSA-N 1 0 236.359 2.084 20 30 BEEDRO C#Cc1ccc(NC(=O)C(=C)CC[NH+](C)C)cc1 ZINC000891313651 582662660 /nfs/dbraw/zinc/66/26/60/582662660.db2.gz UGMWILQFUZETFT-UHFFFAOYSA-N 1 0 242.322 2.114 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 ZINC000891313886 582663512 /nfs/dbraw/zinc/66/35/12/582663512.db2.gz BSJPUMRMYQTSJV-AWEZNQCLSA-N 1 0 242.322 2.091 20 30 BEEDRO C=C1CCC(C(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000891412091 582680924 /nfs/dbraw/zinc/68/09/24/582680924.db2.gz FMFYHFHZOWYQTD-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@H]1C[C@@]1(C)Br ZINC000891716069 582712764 /nfs/dbraw/zinc/71/27/64/582712764.db2.gz KSQZROZZMCYSEK-OPRDCNLKSA-N 1 0 245.164 2.251 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cnn(CC2CCC2)c1 ZINC000891716279 582713195 /nfs/dbraw/zinc/71/31/95/582713195.db2.gz NDXLQQXCGASKFO-LBPRGKRZSA-N 1 0 246.358 2.275 20 30 BEEDRO Cc1cc(F)c(C#N)c(NC[C@H](C)[NH+](C)C)c1 ZINC000891755335 582716805 /nfs/dbraw/zinc/71/68/05/582716805.db2.gz IXIKXMNFCSTNIS-JTQLQIEISA-N 1 0 235.306 2.368 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)NCC(C)(C)[NH3+] ZINC000892031435 582766887 /nfs/dbraw/zinc/76/68/87/582766887.db2.gz VZCJPUNBAOTZLX-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO COCCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000104152676 582791969 /nfs/dbraw/zinc/79/19/69/582791969.db2.gz FNEIBDCNATYJOZ-GFCCVEGCSA-N 1 0 243.395 2.142 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000892145630 582800857 /nfs/dbraw/zinc/80/08/57/582800857.db2.gz ZYAOPJCZNUDSLU-GHMZBOCLSA-N 1 0 241.379 2.014 20 30 BEEDRO CSCC[C@H](C)[NH2+]Cc1ccc(C#N)o1 ZINC000135486769 582802802 /nfs/dbraw/zinc/80/28/02/582802802.db2.gz GQWLYFZQEAQDDX-VIFPVBQESA-N 1 0 224.329 2.382 20 30 BEEDRO C[N@@H+](Cc1csc(C#N)c1)C[C@H]1CCOC1 ZINC000892179545 582805816 /nfs/dbraw/zinc/80/58/16/582805816.db2.gz JACYRQRZQNSUHS-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](CC)CC[C@H]1C ZINC000855932037 588854572 /nfs/dbraw/zinc/85/45/72/588854572.db2.gz JARQVEQEYJODON-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@H]1CC ZINC000849036445 582836875 /nfs/dbraw/zinc/83/68/75/582836875.db2.gz SHAOMMNMYOAARQ-MNOVXSKESA-N 1 0 209.337 2.113 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCC[C@H]1CC ZINC000849036444 582837115 /nfs/dbraw/zinc/83/71/15/582837115.db2.gz SHAOMMNMYOAARQ-GHMZBOCLSA-N 1 0 209.337 2.113 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCC[C@@H]1CC ZINC000849036447 582837306 /nfs/dbraw/zinc/83/73/06/582837306.db2.gz SHAOMMNMYOAARQ-WDEREUQCSA-N 1 0 209.337 2.113 20 30 BEEDRO COc1cc(C[NH2+][C@H]2C=CCC2)ccc1C#N ZINC000829348318 582856366 /nfs/dbraw/zinc/85/63/66/582856366.db2.gz RUCHENZUZWUBPJ-ZDUSSCGKSA-N 1 0 228.295 2.375 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C)C1)NC1CC1 ZINC000103338321 582859679 /nfs/dbraw/zinc/85/96/79/582859679.db2.gz NWQUDGCIGHHUJZ-WDEREUQCSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CCCc1noc([C@H]2CC23CC[NH2+]CC3)n1 ZINC000843238504 582871125 /nfs/dbraw/zinc/87/11/25/582871125.db2.gz SDXCGXMUGARBPZ-SNVBAGLBSA-N 1 0 233.315 2.045 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@H](CC)C2)c1 ZINC000850321854 582911936 /nfs/dbraw/zinc/91/19/36/582911936.db2.gz NSJASQKTSXSMMK-LSDHHAIUSA-N 1 0 229.323 2.325 20 30 BEEDRO C#CCOCC[N@@H+](C(CC)CC)C1CC1 ZINC000851747187 582965735 /nfs/dbraw/zinc/96/57/35/582965735.db2.gz RZLNTTISJUGSEH-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@@H](OC)C1CCCC1 ZINC000851786112 582966750 /nfs/dbraw/zinc/96/67/50/582966750.db2.gz WQOPMNBVGKFEDF-OAHLLOKOSA-N 1 0 233.355 2.150 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@H]1c1cccn1C ZINC000851797744 582967925 /nfs/dbraw/zinc/96/79/25/582967925.db2.gz GYUKZCKICGNDES-HNNXBMFYSA-N 1 0 246.354 2.202 20 30 BEEDRO CCCCCCCC(=O)N(C)C[C@H](C)[NH3+] ZINC000111208620 582980568 /nfs/dbraw/zinc/98/05/68/582980568.db2.gz DLWWWWMVRGQUBY-NSHDSACASA-N 1 0 214.353 2.153 20 30 BEEDRO C=CCCCOC(=O)C12CCC[NH+](CCC1)C2 ZINC000892787924 582982825 /nfs/dbraw/zinc/98/28/25/582982825.db2.gz CPVYHSZGTVEOPZ-UHFFFAOYSA-N 1 0 237.343 2.372 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC1CC(OCC)C1 ZINC000852103687 583001854 /nfs/dbraw/zinc/00/18/54/583001854.db2.gz OWXBESKOHGJTPK-WXRRBKDZSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@](F)(c2ccccc2)C1 ZINC000852017803 582992927 /nfs/dbraw/zinc/99/29/27/582992927.db2.gz GEDGHCZGZJGVTN-OAHLLOKOSA-N 1 0 247.313 2.207 20 30 BEEDRO C[N@H+](CC[C@@H]1COC(C)(C)O1)CC(C)(C)C#N ZINC000852089824 582999470 /nfs/dbraw/zinc/99/94/70/582999470.db2.gz WCBHZHSNFMDZMU-LLVKDONJSA-N 1 0 240.347 2.010 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCN1CCc2ccccc21 ZINC000852103193 583000872 /nfs/dbraw/zinc/00/08/72/583000872.db2.gz AAKGRJNZMKRMQJ-MRXNPFEDSA-N 1 0 242.366 2.441 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1conc1CC ZINC000852103665 583001889 /nfs/dbraw/zinc/00/18/89/583001889.db2.gz NWXKOMRXHOQYTF-LBPRGKRZSA-N 1 0 206.289 2.129 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1conc1CC ZINC000852103664 583002010 /nfs/dbraw/zinc/00/20/10/583002010.db2.gz NWXKOMRXHOQYTF-GFCCVEGCSA-N 1 0 206.289 2.129 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OC)cn1 ZINC000892949698 583016791 /nfs/dbraw/zinc/01/67/91/583016791.db2.gz BZHOBHROHDKOOC-JTQLQIEISA-N 1 0 206.289 2.144 20 30 BEEDRO C=CC[C@@H]1CCCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000853330526 583034755 /nfs/dbraw/zinc/03/47/55/583034755.db2.gz OPPNXVHXHKEPKN-WDEREUQCSA-N 1 0 234.347 2.046 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]CC#Cc1ccccc1 ZINC000893073607 583041861 /nfs/dbraw/zinc/04/18/61/583041861.db2.gz CXJDYSZKUPUVBY-GOEBONIOSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)CC1(OC)CCC1 ZINC000309982907 583084253 /nfs/dbraw/zinc/08/42/53/583084253.db2.gz XBLIHKVZUYEDQD-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)cc1)[C@H]1CCCO1 ZINC000775340537 583086672 /nfs/dbraw/zinc/08/66/72/583086672.db2.gz HBTRFFZJOWNITF-HUUCEWRRSA-N 1 0 229.323 2.265 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCc1ccco1)[C@H]1CCCO1 ZINC000775572040 583093891 /nfs/dbraw/zinc/09/38/91/583093891.db2.gz NZTYUTUAEBYEGQ-VHDGCEQUSA-N 1 0 247.338 2.371 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C(C)(C)COC)cc1 ZINC000113334506 583105814 /nfs/dbraw/zinc/10/58/14/583105814.db2.gz FQXOVZBTYQCNGQ-UHFFFAOYSA-N 1 0 247.338 2.213 20 30 BEEDRO Cn1cc(C[NH2+]CC(C)(C)CC#N)c(Cl)n1 ZINC000856790874 588878145 /nfs/dbraw/zinc/87/81/45/588878145.db2.gz MMODWDCCJLMXLY-UHFFFAOYSA-N 1 0 240.738 2.103 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H](CO)CC=C ZINC000320738354 583137651 /nfs/dbraw/zinc/13/76/51/583137651.db2.gz LPRLQRRWBIIVTC-AWEZNQCLSA-N 1 0 247.338 2.278 20 30 BEEDRO CCCSC[C@H](C)[NH2+]CCCC#N ZINC000893515334 583155426 /nfs/dbraw/zinc/15/54/26/583155426.db2.gz SEAWBJHPSCYECQ-JTQLQIEISA-N 1 0 200.351 2.411 20 30 BEEDRO CCCSC[C@@H](C)[NH2+]CCCC#N ZINC000893515335 583155834 /nfs/dbraw/zinc/15/58/34/583155834.db2.gz SEAWBJHPSCYECQ-SNVBAGLBSA-N 1 0 200.351 2.411 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1CCC(OC)CC1 ZINC000893607576 583172603 /nfs/dbraw/zinc/17/26/03/583172603.db2.gz YCYXXYIJLSYYTD-CPCZMJQVSA-N 1 0 224.348 2.473 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cncc(OCC)c1)C(C)C ZINC000857045702 588883906 /nfs/dbraw/zinc/88/39/06/588883906.db2.gz UJWURHMFLSVCSU-AWEZNQCLSA-N 1 0 232.327 2.228 20 30 BEEDRO CCC#CCOC(=O)[C@H](CC)[NH+](CC)CC ZINC000893840920 583231048 /nfs/dbraw/zinc/23/10/48/583231048.db2.gz IFJJLNGSYMYXCX-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893930289 583250075 /nfs/dbraw/zinc/25/00/75/583250075.db2.gz XLGCRICNENVORE-RYUDHWBXSA-N 1 0 243.322 2.128 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000893934206 583252934 /nfs/dbraw/zinc/25/29/34/583252934.db2.gz WOTPLRRMGICGDJ-STQMWFEESA-N 1 0 217.312 2.051 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc2c1NCCC2 ZINC000893976695 583266597 /nfs/dbraw/zinc/26/65/97/583266597.db2.gz XQDADBKJPPWVIV-UHFFFAOYSA-N 1 0 228.339 2.500 20 30 BEEDRO C[C@@H]([NH2+]CCC#N)[C@H]1COc2ccccc2C1 ZINC000894081923 583294712 /nfs/dbraw/zinc/29/47/12/583294712.db2.gz JWWIYCFXSMHEDY-DGCLKSJQSA-N 1 0 230.311 2.129 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000877512878 583319793 /nfs/dbraw/zinc/31/97/93/583319793.db2.gz FEBPSSFQRMFEKW-FQUUOJAGSA-N 1 0 233.355 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H](Cc1ccccc1)OC ZINC000877513036 583319965 /nfs/dbraw/zinc/31/99/65/583319965.db2.gz JWQSOOWMTPWPGD-CABCVRRESA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000877514664 583321558 /nfs/dbraw/zinc/32/15/58/583321558.db2.gz SNCJLWIUFXGXEN-KBPBESRZSA-N 1 0 228.339 2.124 20 30 BEEDRO Cn1cc(C[NH2+]CC2(CC#N)CC2)c(C2CC2)n1 ZINC000894197709 583336412 /nfs/dbraw/zinc/33/64/12/583336412.db2.gz NPXBFUKWGPRHOR-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C2CSC2)c1 ZINC000877635244 583340916 /nfs/dbraw/zinc/34/09/16/583340916.db2.gz KDVHIGGEJYIPOA-UHFFFAOYSA-N 1 0 235.352 2.456 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000104188504 583345755 /nfs/dbraw/zinc/34/57/55/583345755.db2.gz VFDGEPPBMQSAHM-CYBMUJFWSA-N 1 0 240.391 2.415 20 30 BEEDRO COCC(C)(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000877805353 583347990 /nfs/dbraw/zinc/34/79/90/583347990.db2.gz LZFVBWZJEHJRAH-UHFFFAOYSA-N 1 0 247.342 2.106 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)cc1 ZINC000877836311 583350492 /nfs/dbraw/zinc/35/04/92/583350492.db2.gz UFWQPVLYIOJEKZ-OAHLLOKOSA-N 1 0 243.350 2.261 20 30 BEEDRO CN1CCc2cc(C=[NH+]OCC3CC3)ccc21 ZINC000814244587 583351246 /nfs/dbraw/zinc/35/12/46/583351246.db2.gz ASHBIHWYYHJQOA-UHFFFAOYSA-N 1 0 230.311 2.439 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000877934055 583354290 /nfs/dbraw/zinc/35/42/90/583354290.db2.gz ACRGCMPFWJPYGE-TUAOUCFPSA-N 1 0 225.332 2.082 20 30 BEEDRO C=CCCc1noc(CC[C@H]2CCC[NH2+]C2)n1 ZINC000857253992 588901472 /nfs/dbraw/zinc/90/14/72/588901472.db2.gz VMTOYFQVIXMSHN-LLVKDONJSA-N 1 0 235.331 2.120 20 30 BEEDRO C[C@H](CC#N)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857246766 588901483 /nfs/dbraw/zinc/90/14/83/588901483.db2.gz HLUDUCRBXMRUMN-HTQZYQBOSA-N 1 0 221.131 2.462 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000878503833 583377437 /nfs/dbraw/zinc/37/74/37/583377437.db2.gz YSEKOAOUUVJYAR-IHRRRGAJSA-N 1 0 239.359 2.078 20 30 BEEDRO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccc(C#N)cc1 ZINC000791052916 583384490 /nfs/dbraw/zinc/38/44/90/583384490.db2.gz PHRVCNFJCXINTF-NSHDSACASA-N 1 0 247.298 2.218 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000894232829 583385706 /nfs/dbraw/zinc/38/57/06/583385706.db2.gz JXALPTJFHHCHTC-WUHRBBMRSA-N 1 0 227.348 2.123 20 30 BEEDRO Cc1noc(C)c1C[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000788012603 583389186 /nfs/dbraw/zinc/38/91/86/583389186.db2.gz WDGWDINPIVMHSH-NEPJUHHUSA-N 1 0 233.315 2.416 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000894383408 583442701 /nfs/dbraw/zinc/44/27/01/583442701.db2.gz JQSXIFKGJANVJE-OBJOEFQTSA-N 1 0 229.323 2.238 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000894384226 583442708 /nfs/dbraw/zinc/44/27/08/583442708.db2.gz PMSLRMXHTFLYKB-NSHDSACASA-N 1 0 215.296 2.123 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(F)cc1C)C(C)C ZINC000894387045 583443339 /nfs/dbraw/zinc/44/33/39/583443339.db2.gz HSTFFFLIMMGCBP-GFCCVEGCSA-N 1 0 220.291 2.277 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000894384809 583443746 /nfs/dbraw/zinc/44/37/46/583443746.db2.gz WLWXCNYQXVPDDK-LBPRGKRZSA-N 1 0 216.328 2.391 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)C ZINC000894386671 583444199 /nfs/dbraw/zinc/44/41/99/583444199.db2.gz CLXTTWGKOQJGQA-BBZRCZKMSA-N 1 0 233.355 2.047 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)noc1CC)C(C)C ZINC000894387752 583444244 /nfs/dbraw/zinc/44/42/44/583444244.db2.gz VBOYJKJQXMICHU-LBPRGKRZSA-N 1 0 220.316 2.293 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(Cl)n[nH]c1CC)C(C)C ZINC000894387496 583444337 /nfs/dbraw/zinc/44/43/37/583444337.db2.gz NWUKMCZVGLXFNS-SNVBAGLBSA-N 1 0 239.750 2.373 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1csc(C#N)c1 ZINC000894388001 583445701 /nfs/dbraw/zinc/44/57/01/583445701.db2.gz YUYAAQIICDCXRK-SNVBAGLBSA-N 1 0 204.298 2.121 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN(C)CC[NH+](C)C ZINC000894449027 583461523 /nfs/dbraw/zinc/46/15/23/583461523.db2.gz JAEIEEQSXCFKLK-UHFFFAOYSA-N 1 0 245.370 2.169 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000894554005 583483525 /nfs/dbraw/zinc/48/35/25/583483525.db2.gz WOTPLRRMGICGDJ-OLZOCXBDSA-N 1 0 217.312 2.051 20 30 BEEDRO C#C[C@@H](N[C@H](C)COC(C)=O)c1ccc(F)cc1 ZINC000894575431 583486728 /nfs/dbraw/zinc/48/67/28/583486728.db2.gz SJOXPSCOGVIEMQ-QMTHXVAHSA-N 1 0 249.285 2.041 20 30 BEEDRO C#C[C@@H](N[C@@H](C)COC(C)=O)c1ccc(F)cc1 ZINC000894575430 583487096 /nfs/dbraw/zinc/48/70/96/583487096.db2.gz SJOXPSCOGVIEMQ-IINYFYTJSA-N 1 0 249.285 2.041 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@H]2[NH2+]Cc1cnc[nH]1 ZINC000894589125 583489987 /nfs/dbraw/zinc/48/99/87/583489987.db2.gz IIMQMVKWJCHOET-CQSZACIVSA-N 1 0 238.294 2.058 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1cnc[nH]1 ZINC000894589111 583490481 /nfs/dbraw/zinc/49/04/81/583490481.db2.gz IIMQMVKWJCHOET-AWEZNQCLSA-N 1 0 238.294 2.058 20 30 BEEDRO COCC(C)(C)[N@H+](C)Cc1csc(C#N)c1 ZINC000894592748 583492056 /nfs/dbraw/zinc/49/20/56/583492056.db2.gz VZFMLRQOTOBGPT-UHFFFAOYSA-N 1 0 238.356 2.477 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000894695219 583509684 /nfs/dbraw/zinc/50/96/84/583509684.db2.gz NCCDYUAKCIWOEH-QWRGUYRKSA-N 1 0 234.299 2.460 20 30 BEEDRO C=C(C)CC[NH2+]Cc1nnc(C2CC2)s1 ZINC000894712234 583510804 /nfs/dbraw/zinc/51/08/04/583510804.db2.gz QENLUONZGZOCGU-UHFFFAOYSA-N 1 0 223.345 2.471 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894712539 583511461 /nfs/dbraw/zinc/51/14/61/583511461.db2.gz RZBVNGUFKQPAFW-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894775175 583518183 /nfs/dbraw/zinc/51/81/83/583518183.db2.gz GSJVIDXASSNPQS-NEPJUHHUSA-N 1 0 243.322 2.176 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894775178 583518511 /nfs/dbraw/zinc/51/85/11/583518511.db2.gz GSJVIDXASSNPQS-VXGBXAGGSA-N 1 0 243.322 2.176 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ocnc1C)C(C)(C)C ZINC000894784463 583521429 /nfs/dbraw/zinc/52/14/29/583521429.db2.gz LFZUSRMVXVNYKI-NSHDSACASA-N 1 0 206.289 2.121 20 30 BEEDRO CC1([NH+]2CCC2)CCN([C@H]2CC[C@H](C#N)C2)CC1 ZINC000880473236 583541672 /nfs/dbraw/zinc/54/16/72/583541672.db2.gz ACWNSESRGAXQQL-KBPBESRZSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@H]1COCO1 ZINC000894879174 583542463 /nfs/dbraw/zinc/54/24/63/583542463.db2.gz QPQRUOFVDKPTPB-NEPJUHHUSA-N 1 0 213.321 2.084 20 30 BEEDRO COCC[C@@H](C)C[NH2+]CC#Cc1ccccc1 ZINC000894893567 583549060 /nfs/dbraw/zinc/54/90/60/583549060.db2.gz FJJWISJDCLPGNP-CQSZACIVSA-N 1 0 231.339 2.300 20 30 BEEDRO C[C@H](N=NC1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000793114632 583553739 /nfs/dbraw/zinc/55/37/39/583553739.db2.gz IDBKZUTZOLQRAW-QWRGUYRKSA-N 1 0 225.380 2.481 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894931262 583556047 /nfs/dbraw/zinc/55/60/47/583556047.db2.gz GECMENTUFXQYSV-GFCCVEGCSA-N 1 0 235.327 2.117 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cnccn1 ZINC000894984010 583564517 /nfs/dbraw/zinc/56/45/17/583564517.db2.gz FOCFKKFFXSDCIM-SNVBAGLBSA-N 1 0 218.304 2.067 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000895009944 583567568 /nfs/dbraw/zinc/56/75/68/583567568.db2.gz IEWCCTVTHABUFK-VHSXEESVSA-N 1 0 220.272 2.070 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000895097902 583588391 /nfs/dbraw/zinc/58/83/91/583588391.db2.gz WCWWNKRUAZVWBT-GOEBONIOSA-N 1 0 245.366 2.229 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000895097113 583588394 /nfs/dbraw/zinc/58/83/94/583588394.db2.gz MFGNZJDDQQOWPA-OAGGEKHMSA-N 1 0 243.350 2.154 20 30 BEEDRO C#CC1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000895116524 583591615 /nfs/dbraw/zinc/59/16/15/583591615.db2.gz SPBDJIGBAVSGKR-UHFFFAOYSA-N 1 0 245.351 2.241 20 30 BEEDRO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161023 583609799 /nfs/dbraw/zinc/60/97/99/583609799.db2.gz DBFWWLAZWUNRSQ-NWDGAFQWSA-N 1 0 240.347 2.091 20 30 BEEDRO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160915 583610075 /nfs/dbraw/zinc/61/00/75/583610075.db2.gz PVOJPPSMLFRCSI-SRVKXCTJSA-N 1 0 242.363 2.171 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+]CC#Cc1ccccc1 ZINC000895170740 583612307 /nfs/dbraw/zinc/61/23/07/583612307.db2.gz SCSKKFIUQSIMDK-CQSZACIVSA-N 1 0 243.350 2.443 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895203621 583624419 /nfs/dbraw/zinc/62/44/19/583624419.db2.gz RZODWYQXYAFAHH-ZDUSSCGKSA-N 1 0 243.354 2.453 20 30 BEEDRO CC(C)CC[C@H]1CCCC1N=NC(N)=[NH2+] ZINC000727252051 583625137 /nfs/dbraw/zinc/62/51/37/583625137.db2.gz OTUYWIQPWHAAPZ-SECBINFHSA-N 1 0 210.325 2.062 20 30 BEEDRO COCCN(C)[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000794965839 583630345 /nfs/dbraw/zinc/63/03/45/583630345.db2.gz CIGSBEZEPPAHHD-UHFFFAOYSA-N 1 0 249.358 2.055 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC000895242359 583631738 /nfs/dbraw/zinc/63/17/38/583631738.db2.gz CWHRUUSNYRPEMZ-UHFFFAOYSA-N 1 0 236.315 2.029 20 30 BEEDRO C=CCC1([NH2+]Cc2ocnc2C)CCOCC1 ZINC000895259235 583634171 /nfs/dbraw/zinc/63/41/71/583634171.db2.gz IPOGBWGDOBIICG-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895306897 583642999 /nfs/dbraw/zinc/64/29/99/583642999.db2.gz KXKHTYFLGUUFRD-DLOVCJGASA-N 1 0 210.321 2.342 20 30 BEEDRO COC1CC(CC[NH2+]CC#Cc2ccccc2)C1 ZINC000895304912 583643223 /nfs/dbraw/zinc/64/32/23/583643223.db2.gz RSTJFYZHHMGCMN-UHFFFAOYSA-N 1 0 243.350 2.443 20 30 BEEDRO CC1=NO[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000895309581 583646550 /nfs/dbraw/zinc/64/65/50/583646550.db2.gz UMRIMBUHGUKZTC-NSHDSACASA-N 1 0 223.320 2.071 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000895330946 583653265 /nfs/dbraw/zinc/65/32/65/583653265.db2.gz SMGWRFWFXLVXOU-DTWKUNHWSA-N 1 0 218.138 2.326 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3ccncc3C2)C1 ZINC000857879493 588919462 /nfs/dbraw/zinc/91/94/62/588919462.db2.gz GFCZFTXEQKESKC-GXFFZTMASA-N 1 0 213.284 2.089 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccc(C)s2)CC1 ZINC000895378039 583662110 /nfs/dbraw/zinc/66/21/10/583662110.db2.gz DJEABDWALGJJHT-UHFFFAOYSA-N 1 0 235.352 2.017 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2sccc2C)CC1 ZINC000895379088 583662157 /nfs/dbraw/zinc/66/21/57/583662157.db2.gz KAQSHTUFBRYWMH-UHFFFAOYSA-N 1 0 235.352 2.017 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2CCCC[C@@H]2C)CC1 ZINC000895384621 583662687 /nfs/dbraw/zinc/66/26/87/583662687.db2.gz QIMYNFVUXFNMLU-KBPBESRZSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000895384623 583662827 /nfs/dbraw/zinc/66/28/27/583662827.db2.gz QIMYNFVUXFNMLU-KGLIPLIRSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000895385003 583663573 /nfs/dbraw/zinc/66/35/73/583663573.db2.gz XLNRXMDWPSEAGU-UKRRQHHQSA-N 1 0 247.382 2.439 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ocnc2C)C1 ZINC000895388252 583663577 /nfs/dbraw/zinc/66/35/77/583663577.db2.gz IHDFKRQYNDRKAJ-NSHDSACASA-N 1 0 206.289 2.381 20 30 BEEDRO CC(=O)OC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000895402109 583665560 /nfs/dbraw/zinc/66/55/60/583665560.db2.gz BDHRWJLGYJTQPO-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO CC1=NO[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000895428549 583668409 /nfs/dbraw/zinc/66/84/09/583668409.db2.gz ILVJHTYMEFPHBC-MNOVXSKESA-N 1 0 223.320 2.069 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2CSC2)CC1 ZINC000895422325 583673697 /nfs/dbraw/zinc/67/36/97/583673697.db2.gz ZFWHPJZRWNNXFL-UHFFFAOYSA-N 1 0 224.373 2.411 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C1CC2(C1)CCCCC2 ZINC000895490657 583680862 /nfs/dbraw/zinc/68/08/62/583680862.db2.gz RMNMXJGBPZETJI-LBPRGKRZSA-N 1 0 221.344 2.073 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2C#N)C1 ZINC000895539893 583687519 /nfs/dbraw/zinc/68/75/19/583687519.db2.gz KQEQWDXWNBEPIF-UMSPYCQHSA-N 1 0 248.301 2.212 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000895562279 583691634 /nfs/dbraw/zinc/69/16/34/583691634.db2.gz CHLFZCFRXOVGHA-ZDUSSCGKSA-N 1 0 241.334 2.467 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2sccc2C)CC1 ZINC000895675097 583704252 /nfs/dbraw/zinc/70/42/52/583704252.db2.gz MGVRTISPCDRAFE-UHFFFAOYSA-N 1 0 249.379 2.407 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]CCc1ccc(C)c(C)c1 ZINC000895671279 583706091 /nfs/dbraw/zinc/70/60/91/583706091.db2.gz ICIVCIBWTYZMNU-INIZCTEOSA-N 1 0 245.366 2.474 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CCC(C)(C)SC ZINC000895713011 583710859 /nfs/dbraw/zinc/71/08/59/583710859.db2.gz HAXXCGZVWQTACS-NSHDSACASA-N 1 0 231.405 2.435 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000895713537 583711143 /nfs/dbraw/zinc/71/11/43/583711143.db2.gz QGTMQAICIOFWAH-IUCAKERBSA-N 1 0 238.158 2.097 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CC=C(C)CC1 ZINC000895713063 583711162 /nfs/dbraw/zinc/71/11/62/583711162.db2.gz JAGHRLBHLWZNDH-STQMWFEESA-N 1 0 209.333 2.402 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CCc1ccc(C)cc1 ZINC000895713877 583711243 /nfs/dbraw/zinc/71/12/43/583711243.db2.gz VEVABFFNVQPJHZ-HNNXBMFYSA-N 1 0 233.355 2.454 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000895713604 583711385 /nfs/dbraw/zinc/71/13/85/583711385.db2.gz QOAVONIBTJMEFY-AGIUHOORSA-N 1 0 243.416 2.433 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000895713738 583711401 /nfs/dbraw/zinc/71/14/01/583711401.db2.gz UHUJEXNKFLNRRV-AWEZNQCLSA-N 1 0 249.354 2.426 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CC=C(C)CC2)C1 ZINC000895748980 583717410 /nfs/dbraw/zinc/71/74/10/583717410.db2.gz UHAXTFCDVVBILV-HUUCEWRRSA-N 1 0 232.371 2.172 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C)C(OC)OC ZINC000895792662 583728906 /nfs/dbraw/zinc/72/89/06/583728906.db2.gz XTRDQSNRHIPGMW-QWRGUYRKSA-N 1 0 215.337 2.328 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2(C)CC2)CC1 ZINC000895834664 583735279 /nfs/dbraw/zinc/73/52/79/583735279.db2.gz ODKCPYWGWPNZRA-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2(SC)CC2)CC1 ZINC000895835057 583735732 /nfs/dbraw/zinc/73/57/32/583735732.db2.gz XQQXJPGLXZCTMF-UHFFFAOYSA-N 1 0 241.400 2.285 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2(C3CC3)CCC2)n1 ZINC000895900474 583741638 /nfs/dbraw/zinc/74/16/38/583741638.db2.gz BMBJIDVWTWBTMG-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCC(C)(O)CC2)CC1 ZINC000895951843 583751807 /nfs/dbraw/zinc/75/18/07/583751807.db2.gz DHRCXQOCQCMMKS-RBAFREBBSA-N 1 0 235.371 2.462 20 30 BEEDRO CC(C)OC1C[NH+](CC(C)(C)CCC#N)C1 ZINC000895955904 583752805 /nfs/dbraw/zinc/75/28/05/583752805.db2.gz XNEYDKKABFOTGH-UHFFFAOYSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1nc(C)c(C)s1 ZINC000896034963 583764540 /nfs/dbraw/zinc/76/45/40/583764540.db2.gz KCOMWOAKZGZIJD-NSHDSACASA-N 1 0 240.372 2.177 20 30 BEEDRO C#CC1([NH2+]Cc2cn3ccnc3s2)CCCC1 ZINC000896026584 583765152 /nfs/dbraw/zinc/76/51/52/583765152.db2.gz PUVVBMNRQDCTTB-UHFFFAOYSA-N 1 0 245.351 2.431 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(OCC)o1 ZINC000896036038 583765230 /nfs/dbraw/zinc/76/52/30/583765230.db2.gz ZYUOTVTVNRGSOR-NSHDSACASA-N 1 0 239.315 2.095 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CC=CCC1 ZINC000883401741 583797732 /nfs/dbraw/zinc/79/77/32/583797732.db2.gz WWLIMXHYPUEBHP-CHWSQXEVSA-N 1 0 209.333 2.259 20 30 BEEDRO N#C[C@H]1CCC[N@H+](CC2CCSCC2)C1 ZINC000896500753 583807130 /nfs/dbraw/zinc/80/71/30/583807130.db2.gz JYMWMEBUOOBWIY-GFCCVEGCSA-N 1 0 224.373 2.365 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CCC[C@H](C#N)C1)C1CC1 ZINC000896503568 583807805 /nfs/dbraw/zinc/80/78/05/583807805.db2.gz LCLGSUJWKMEQCU-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)CCO1 ZINC000896585683 583815333 /nfs/dbraw/zinc/81/53/33/583815333.db2.gz UMUQYNKUYTUDLK-SNVBAGLBSA-N 1 0 236.340 2.231 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H](C)COCCOC)CC1 ZINC000896837931 583838758 /nfs/dbraw/zinc/83/87/58/583838758.db2.gz CBSOIJMDMAWODB-ZDUSSCGKSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H](C)COC(C)=O)CC1 ZINC000896838562 583838923 /nfs/dbraw/zinc/83/89/23/583838923.db2.gz NASULSOBIDNFQH-NSHDSACASA-N 1 0 225.332 2.274 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cnccc1C ZINC000796507064 583856373 /nfs/dbraw/zinc/85/63/73/583856373.db2.gz OJXWNQQMFCZUJE-UHFFFAOYSA-N 1 0 202.301 2.235 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)n2)CCCCO1 ZINC000896924245 583857452 /nfs/dbraw/zinc/85/74/52/583857452.db2.gz QMXQFWFQHUSVPT-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC000858183222 588937634 /nfs/dbraw/zinc/93/76/34/588937634.db2.gz YRRDVZFOWBGUQA-GXSJLCMTSA-N 1 0 219.263 2.003 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CCS1 ZINC000896952760 583863970 /nfs/dbraw/zinc/86/39/70/583863970.db2.gz QEELSRUCFIMXRK-MNOVXSKESA-N 1 0 247.367 2.327 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000897069224 583877372 /nfs/dbraw/zinc/87/73/72/583877372.db2.gz SRPMSAWWOBVUOJ-NSHDSACASA-N 1 0 236.340 2.231 20 30 BEEDRO CC#CC[N@H+](C)C[C@@H]1C[C@@]1(C)Br ZINC000897168873 583888420 /nfs/dbraw/zinc/88/84/20/583888420.db2.gz HUMWAAOWNGLGFN-VHSXEESVSA-N 1 0 230.149 2.115 20 30 BEEDRO CC#CC[N@@H+](C)CC1CCC(OC)CC1 ZINC000897169333 583888596 /nfs/dbraw/zinc/88/85/96/583888596.db2.gz NHZQUNWQYRNAPP-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCN(Cc1cc2c(cc[nH]c2=O)o1)C(C)C ZINC000897171079 583888802 /nfs/dbraw/zinc/88/88/02/583888802.db2.gz PQRPLPFEDNWLCW-UHFFFAOYSA-N 1 0 244.294 2.377 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)nc1C)C(C)C ZINC000897171354 583889339 /nfs/dbraw/zinc/88/93/39/583889339.db2.gz WYOAEEOLOPVNPI-UHFFFAOYSA-N 1 0 220.291 2.373 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858297467 588942812 /nfs/dbraw/zinc/94/28/12/588942812.db2.gz DKIYCXOWKBCOLU-HZPDHXFCSA-N 1 0 241.334 2.325 20 30 BEEDRO C#CCC1([NH2+]CCC[C@@H]2CCO2)CCC1 ZINC000897350488 583928999 /nfs/dbraw/zinc/92/89/99/583928999.db2.gz DWMBHNQEHVFVHY-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C#C[C@H]1CCCCN1c1cc[nH+]c(C)c1 ZINC000897360318 583938508 /nfs/dbraw/zinc/93/85/08/583938508.db2.gz CRSUOHPZGOTTLB-LBPRGKRZSA-N 1 0 200.285 2.382 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccs1 ZINC000858332393 588946132 /nfs/dbraw/zinc/94/61/32/588946132.db2.gz UJGSITVFZPCPGV-NSHDSACASA-N 1 0 223.341 2.266 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C1CC(F)(F)C1)[C@H]1CCCO1 ZINC000862332117 583961442 /nfs/dbraw/zinc/96/14/42/583961442.db2.gz RRPNRPRTFSOKCH-ZMLRMANQSA-N 1 0 243.297 2.191 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000862548359 583963680 /nfs/dbraw/zinc/96/36/80/583963680.db2.gz DJNNYOYUAKJRDW-YVECIDJPSA-N 1 0 209.333 2.049 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccccc1 ZINC000858332141 588945885 /nfs/dbraw/zinc/94/58/85/588945885.db2.gz OTYGUEQQCBQDIG-AWEZNQCLSA-N 1 0 217.312 2.205 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000858207335 588939125 /nfs/dbraw/zinc/93/91/25/588939125.db2.gz VCUVYSXVMQJUPT-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO CC(=NNC1=[NH+]CCN1)c1cccc(C(C)C)c1 ZINC000863121048 583978712 /nfs/dbraw/zinc/97/87/12/583978712.db2.gz YCXNINVGPCOYRC-UHFFFAOYSA-N 1 0 244.342 2.083 20 30 BEEDRO CC(C)(C[NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000897437999 583983652 /nfs/dbraw/zinc/98/36/52/583983652.db2.gz RLXHWIQIKBPRDX-UHFFFAOYSA-N 1 0 229.327 2.479 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)oc1C ZINC000858335365 588946993 /nfs/dbraw/zinc/94/69/93/588946993.db2.gz SQFBQQDSAIELHH-CYBMUJFWSA-N 1 0 221.300 2.024 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)oc1C ZINC000858335386 588947196 /nfs/dbraw/zinc/94/71/96/588947196.db2.gz SQFBQQDSAIELHH-ZDUSSCGKSA-N 1 0 221.300 2.024 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000897509192 583998600 /nfs/dbraw/zinc/99/86/00/583998600.db2.gz VNVFNHYREDXHTR-BNOWGMLFSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897685138 584040624 /nfs/dbraw/zinc/04/06/24/584040624.db2.gz DQQPJDUQCAOHQE-SWLSCSKDSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC000897813688 584047163 /nfs/dbraw/zinc/04/71/63/584047163.db2.gz MFTOLMRBGBWVST-RLWKQIJDSA-N 1 0 233.355 2.497 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819442 584051569 /nfs/dbraw/zinc/05/15/69/584051569.db2.gz RWGAZYJUIWEDLY-NFIBXUFNSA-N 1 0 221.344 2.353 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)nn1 ZINC000897958214 584066171 /nfs/dbraw/zinc/06/61/71/584066171.db2.gz HYKFWFSWPPOUQZ-KWCYVHTRSA-N 1 0 246.358 2.132 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc2nonc2c1 ZINC000897990576 584072260 /nfs/dbraw/zinc/07/22/60/584072260.db2.gz AANFOLWQCJLRBD-JTQLQIEISA-N 1 0 244.298 2.252 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000898034097 584078384 /nfs/dbraw/zinc/07/83/84/584078384.db2.gz HYMKLUFESICYEW-OLZOCXBDSA-N 1 0 235.375 2.000 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000898036325 584078825 /nfs/dbraw/zinc/07/88/25/584078825.db2.gz CAODAKGZCZXEPL-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(CCO)cc2)C1 ZINC000898170458 584088814 /nfs/dbraw/zinc/08/88/14/584088814.db2.gz GWBHRFRCPVNRLL-HUUCEWRRSA-N 1 0 244.338 2.003 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000898271363 584104553 /nfs/dbraw/zinc/10/45/53/584104553.db2.gz YBNNFOUUMYJEAQ-NWDGAFQWSA-N 1 0 249.358 2.104 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cnc2n1CCOC2 ZINC000898271362 584104769 /nfs/dbraw/zinc/10/47/69/584104769.db2.gz YBNNFOUUMYJEAQ-NEPJUHHUSA-N 1 0 249.358 2.104 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccnn1CCC ZINC000898460264 584137364 /nfs/dbraw/zinc/13/73/64/584137364.db2.gz JCZOIXUARAZBJC-UHFFFAOYSA-N 1 0 207.321 2.347 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000898460185 584137460 /nfs/dbraw/zinc/13/74/60/584137460.db2.gz GJSLVRWSBKHOBQ-UHFFFAOYSA-N 1 0 233.237 2.483 20 30 BEEDRO C=CC(C)(C)[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000898460542 584137748 /nfs/dbraw/zinc/13/77/48/584137748.db2.gz NNPKYAHYHRDQOR-MNOVXSKESA-N 1 0 243.322 2.174 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000898460535 584137769 /nfs/dbraw/zinc/13/77/69/584137769.db2.gz NIYFFLIRRXWQIP-UHFFFAOYSA-N 1 0 227.739 2.436 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc(CC)nc1 ZINC000898460417 584138159 /nfs/dbraw/zinc/13/81/59/584138159.db2.gz LDMGZOKEFCMXEU-UHFFFAOYSA-N 1 0 205.305 2.093 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000898461105 584138230 /nfs/dbraw/zinc/13/82/30/584138230.db2.gz ZYJXGDKJDQEZJP-UHFFFAOYSA-N 1 0 242.326 2.322 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(OC)cn1 ZINC000898463143 584138550 /nfs/dbraw/zinc/13/85/50/584138550.db2.gz VMCFDGJLVYZFQL-UHFFFAOYSA-N 1 0 206.289 2.144 20 30 BEEDRO C=C1CN(C(=O)CCC[NH+](CCC)CCC)C1 ZINC000898694568 584153895 /nfs/dbraw/zinc/15/38/95/584153895.db2.gz JPNPNYPBMJUGAV-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO CCNC(NCC[C@H]1CCC(F)(F)C1)=[NH+]CC ZINC000899263569 584191170 /nfs/dbraw/zinc/19/11/70/584191170.db2.gz CWYNJLCVKNWXAO-SNVBAGLBSA-N 1 0 247.333 2.387 20 30 BEEDRO C=CC(C)(C)CNc1cc[nH+]c(CO)c1 ZINC000858559197 588965480 /nfs/dbraw/zinc/96/54/80/588965480.db2.gz IAEKRYNOTCKISW-UHFFFAOYSA-N 1 0 206.289 2.198 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1OC ZINC000899910729 584253082 /nfs/dbraw/zinc/25/30/82/584253082.db2.gz KQQIPQKECJBTSS-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H]2C2CCCC2)CC1 ZINC000899912656 584253318 /nfs/dbraw/zinc/25/33/18/584253318.db2.gz MZECBOQOUIBLTG-UONOGXRCSA-N 1 0 248.370 2.306 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000900016752 584266847 /nfs/dbraw/zinc/26/68/47/584266847.db2.gz ZTTPDMNKABGMRD-MNOVXSKESA-N 1 0 235.331 2.291 20 30 BEEDRO C#Cc1cccc(NC(=O)C(=C)CC[NH+](C)C)c1 ZINC000900060663 584270597 /nfs/dbraw/zinc/27/05/97/584270597.db2.gz JFYDINAKFGIUDI-UHFFFAOYSA-N 1 0 242.322 2.114 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000900122074 584275287 /nfs/dbraw/zinc/27/52/87/584275287.db2.gz IIVVLOCZCRBUIN-DGCLKSJQSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](CC)C1 ZINC000900180466 584283111 /nfs/dbraw/zinc/28/31/11/584283111.db2.gz NMOLBUWPLIOYHK-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)CC ZINC000900364473 584296238 /nfs/dbraw/zinc/29/62/38/584296238.db2.gz HSTCRVDAONCPBJ-JQWIXIFHSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](C)CC1 ZINC000900416191 584306343 /nfs/dbraw/zinc/30/63/43/584306343.db2.gz CECFVTZLMOTPDZ-LBPRGKRZSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C)CC1 ZINC000900416190 584306588 /nfs/dbraw/zinc/30/65/88/584306588.db2.gz CECFVTZLMOTPDZ-GFCCVEGCSA-N 1 0 238.375 2.143 20 30 BEEDRO C[C@H]([NH3+])c1cn(CCCCC2(C#N)CCC2)nn1 ZINC000900616027 584332500 /nfs/dbraw/zinc/33/25/00/584332500.db2.gz GBOLHFICVVGGNC-NSHDSACASA-N 1 0 247.346 2.162 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(CC)CC ZINC000900699805 584342733 /nfs/dbraw/zinc/34/27/33/584342733.db2.gz ZSQWUNUXSIUGFO-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(C)cc(C)n1 ZINC000901161720 584394387 /nfs/dbraw/zinc/39/43/87/584394387.db2.gz VYFCGLJWNZASLE-UHFFFAOYSA-N 1 0 247.342 2.145 20 30 BEEDRO CCN[NH+]=C/C=C\c1ccc(N(C)C)cc1 ZINC000901283026 584415674 /nfs/dbraw/zinc/41/56/74/584415674.db2.gz WELRSGJUQDEXNU-RSEXBFPBSA-N 1 0 217.316 2.361 20 30 BEEDRO CCN[NH+]=C1CCCCc2ccc(N)cc21 ZINC000901282767 584415907 /nfs/dbraw/zinc/41/59/07/584415907.db2.gz OTZPRDOIPUFSEC-UHFFFAOYSA-N 1 0 217.316 2.309 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](CC)CC[C@@H]1C ZINC000901303220 584419266 /nfs/dbraw/zinc/41/92/66/584419266.db2.gz MZUJCPHSJQVWCJ-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[N@H+](CC(=O)NCC(C)(C)C)C(C)C ZINC000859082263 588998821 /nfs/dbraw/zinc/99/88/21/588998821.db2.gz SJSIZCSUZHWVBF-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1NCC ZINC000902456068 584609720 /nfs/dbraw/zinc/60/97/20/584609720.db2.gz NJVBVJWDSHONTO-CYBMUJFWSA-N 1 0 248.370 2.393 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(C)ccc1NC ZINC000902469166 584615349 /nfs/dbraw/zinc/61/53/49/584615349.db2.gz YMNASLJGOGXMCG-UHFFFAOYSA-N 1 0 234.343 2.329 20 30 BEEDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902470787 584616748 /nfs/dbraw/zinc/61/67/48/584616748.db2.gz GQCFSYJFSGHUAX-BSLXNSKLSA-N 1 0 241.338 2.102 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(CC)cn1 ZINC000902538359 584627847 /nfs/dbraw/zinc/62/78/47/584627847.db2.gz PWKPBPRREKBPFO-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO CCn1cnc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)c1 ZINC000902578052 584638045 /nfs/dbraw/zinc/63/80/45/584638045.db2.gz MQSCLLZQJXIDFO-RYUDHWBXSA-N 1 0 232.331 2.075 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)ccc1NC ZINC000902585078 584638973 /nfs/dbraw/zinc/63/89/73/584638973.db2.gz PXFKDBCZCKADHL-CABCVRRESA-N 1 0 246.354 2.470 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCO)[C@]1(C)CCCCO1 ZINC000902720185 584659530 /nfs/dbraw/zinc/65/95/30/584659530.db2.gz FPBLFHYZKLVQPC-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn(C2CC2)cn1 ZINC000902725938 584660963 /nfs/dbraw/zinc/66/09/63/584660963.db2.gz FWHUSOMTCOXKGP-UHFFFAOYSA-N 1 0 205.305 2.272 20 30 BEEDRO COCCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902750020 584664899 /nfs/dbraw/zinc/66/48/99/584664899.db2.gz YRDJKSRGJMYSPB-NSHDSACASA-N 1 0 233.315 2.030 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902761811 584666213 /nfs/dbraw/zinc/66/62/13/584666213.db2.gz AEVDJTJKAIWMCU-YPMHNXCESA-N 1 0 247.342 2.011 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902784696 584666252 /nfs/dbraw/zinc/66/62/52/584666252.db2.gz XOWLFDRBURZAAV-MNOVXSKESA-N 1 0 233.315 2.029 20 30 BEEDRO CC[C@H]([NH2+]CC[C@H](C)O)c1cccc(C#N)c1 ZINC000902804838 584671474 /nfs/dbraw/zinc/67/14/74/584671474.db2.gz WRNMECQGSHJXLH-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902808513 584672010 /nfs/dbraw/zinc/67/20/10/584672010.db2.gz JXNMDQPJTMFOLC-ZJUUUORDSA-N 1 0 235.356 2.355 20 30 BEEDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902786619 584672247 /nfs/dbraw/zinc/67/22/47/584672247.db2.gz QOIULRIMBBHSBV-MNOVXSKESA-N 1 0 233.315 2.029 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(C#N)c1 ZINC000902791891 584673196 /nfs/dbraw/zinc/67/31/96/584673196.db2.gz ZIYVLKFNFMOTAU-CABCVRRESA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCO)c1cc(C#N)ccn1 ZINC000902826617 584676757 /nfs/dbraw/zinc/67/67/57/584676757.db2.gz GLMVDNQWQGKEPB-LLVKDONJSA-N 1 0 247.342 2.012 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cc(C#N)ccn1 ZINC000902832808 584678865 /nfs/dbraw/zinc/67/88/65/584678865.db2.gz QHSNBHBYNGNILA-JQWIXIFHSA-N 1 0 247.367 2.499 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902837155 584679277 /nfs/dbraw/zinc/67/92/77/584679277.db2.gz TUMPOLZFTXCTOF-NXEZZACHSA-N 1 0 201.273 2.178 20 30 BEEDRO CC[C@H](CCO)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902839292 584679860 /nfs/dbraw/zinc/67/98/60/584679860.db2.gz QDVKDLNULGOAAR-NWDGAFQWSA-N 1 0 247.342 2.012 20 30 BEEDRO COC(C)(C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902842620 584680543 /nfs/dbraw/zinc/68/05/43/584680543.db2.gz ZEYXIIRRRIEBIR-JTQLQIEISA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902872420 584684042 /nfs/dbraw/zinc/68/40/42/584684042.db2.gz GVPPZBAQRXOMFH-KOLCDFICSA-N 1 0 233.340 2.109 20 30 BEEDRO C[C@H]([NH2+]C1CC(C)C1)c1cc(C#N)ccn1 ZINC000902875933 584687061 /nfs/dbraw/zinc/68/70/61/584687061.db2.gz PYFXFQNNWFHPCK-YZRBJQDESA-N 1 0 215.300 2.402 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902891930 584690198 /nfs/dbraw/zinc/69/01/98/584690198.db2.gz FBEICTCXHHGFDC-WZRBSPASSA-N 1 0 245.326 2.171 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](C)O)[C@]1(C)CCCCO1 ZINC000902892920 584690855 /nfs/dbraw/zinc/69/08/55/584690855.db2.gz QNBLOCOUSIJODX-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCOCC[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902946276 584696536 /nfs/dbraw/zinc/69/65/36/584696536.db2.gz ZVINLPZHZDFGNB-RYUDHWBXSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000801938646 584700530 /nfs/dbraw/zinc/70/05/30/584700530.db2.gz KIVLQMTUSRHRDO-FZMZJTMJSA-N 1 0 245.326 2.051 20 30 BEEDRO CC(C)OCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902949789 584704349 /nfs/dbraw/zinc/70/43/49/584704349.db2.gz CNGBLCWKKFIRQY-LLVKDONJSA-N 1 0 233.315 2.029 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902995296 584709933 /nfs/dbraw/zinc/70/99/33/584709933.db2.gz AZIMXVLTKODGKC-OUAUKWLOSA-N 1 0 233.315 2.027 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902975080 584713276 /nfs/dbraw/zinc/71/32/76/584713276.db2.gz CDZHQQPYBPXPNE-CMPLNLGQSA-N 1 0 247.367 2.357 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903015969 584713373 /nfs/dbraw/zinc/71/33/73/584713373.db2.gz HWFFBDQOJWBAAJ-WZRBSPASSA-N 1 0 245.326 2.171 20 30 BEEDRO C=CCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902975211 584713450 /nfs/dbraw/zinc/71/34/50/584713450.db2.gz FNGYZVUCMDQBKI-QSLWVIQJSA-N 1 0 221.344 2.356 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903017905 584713813 /nfs/dbraw/zinc/71/38/13/584713813.db2.gz TWGMGCUTGNUSCZ-QSLWVIQJSA-N 1 0 248.370 2.329 20 30 BEEDRO C[C@H]([NH2+]CCCCF)c1cc(C#N)ccn1 ZINC000902996884 584714326 /nfs/dbraw/zinc/71/43/26/584714326.db2.gz OWNDLKZWCGAXMH-JTQLQIEISA-N 1 0 221.279 2.354 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)CO)c1cc(C#N)ccn1 ZINC000903004513 584716883 /nfs/dbraw/zinc/71/68/83/584716883.db2.gz CXUFSPHTUKKVKK-NSHDSACASA-N 1 0 247.342 2.012 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903008656 584717458 /nfs/dbraw/zinc/71/74/58/584717458.db2.gz RGPUTCYGYGSNII-QSLWVIQJSA-N 1 0 221.344 2.356 20 30 BEEDRO CC[C@@H]([NH2+]CCN(C)OC)c1cccc(C#N)c1 ZINC000903043533 584720965 /nfs/dbraw/zinc/72/09/65/584720965.db2.gz BYYHDFRXDHPZQH-CQSZACIVSA-N 1 0 247.342 2.092 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC12CC2)c1cc(C#N)ccn1 ZINC000903025694 584721433 /nfs/dbraw/zinc/72/14/33/584721433.db2.gz HHNYGPCNRKYAGQ-CABZTGNLSA-N 1 0 213.284 2.156 20 30 BEEDRO C=CCn1cc(C[NH2+]C2C[C@H]3CCC[C@@H]3C2)nn1 ZINC000903026986 584721686 /nfs/dbraw/zinc/72/16/86/584721686.db2.gz YARGYQKKDKTGQT-VXGBXAGGSA-N 1 0 246.358 2.132 20 30 BEEDRO CCc1cnccc1[C@H](C)[NH2+]CCO[C@H](C)C#N ZINC000801940309 584721729 /nfs/dbraw/zinc/72/17/29/584721729.db2.gz ZTJKKYSPYUAEKW-NEPJUHHUSA-N 1 0 247.342 2.223 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903051053 584724179 /nfs/dbraw/zinc/72/41/79/584724179.db2.gz CUTGAAJLPURTGD-GFCCVEGCSA-N 1 0 245.326 2.197 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000903078799 584724538 /nfs/dbraw/zinc/72/45/38/584724538.db2.gz XUTWDKTVHOYHKF-YUSALJHKSA-N 1 0 247.367 2.498 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(C#N)ccn2)C1 ZINC000903086203 584725527 /nfs/dbraw/zinc/72/55/27/584725527.db2.gz DCFZTLVDNKKVMF-DRZSPHRISA-N 1 0 245.326 2.029 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)C#N)C1CCOCC1 ZINC000903100005 584726790 /nfs/dbraw/zinc/72/67/90/584726790.db2.gz FUNXPJUTMZOVFD-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CC(C)(C)C#N ZINC000903100580 584727281 /nfs/dbraw/zinc/72/72/81/584727281.db2.gz UKFYTUDTPLKFGK-JTQLQIEISA-N 1 0 240.347 2.246 20 30 BEEDRO COC1([C@@H](C)[NH2+]CC(C)(C)C#N)CCC1 ZINC000903101378 584727380 /nfs/dbraw/zinc/72/73/80/584727380.db2.gz GPVAAKKUMYPPOY-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)C#N ZINC000903101830 584727464 /nfs/dbraw/zinc/72/74/64/584727464.db2.gz NJLKDZGUHZULTO-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO COCC[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000903105197 584728080 /nfs/dbraw/zinc/72/80/80/584728080.db2.gz ADXIWUBVQUCVJE-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903205172 584735811 /nfs/dbraw/zinc/73/58/11/584735811.db2.gz DTXWFMJDXVLCEQ-GXTWGEPZSA-N 1 0 239.359 2.126 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000903216713 584737411 /nfs/dbraw/zinc/73/74/11/584737411.db2.gz GWOLBPPVPFCYJY-XUXIUFHCSA-N 1 0 221.344 2.336 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000903219968 584737790 /nfs/dbraw/zinc/73/77/90/584737790.db2.gz KIXMOMMQXDCFET-LLVKDONJSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1CCN1C ZINC000903325370 584746690 /nfs/dbraw/zinc/74/66/90/584746690.db2.gz YMUJLUSMINFPRL-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCN1C)C1CC1 ZINC000903325017 584747286 /nfs/dbraw/zinc/74/72/86/584747286.db2.gz XLPXRKDLVFHRIR-OLZOCXBDSA-N 1 0 208.349 2.025 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN1C ZINC000903315818 584749198 /nfs/dbraw/zinc/74/91/98/584749198.db2.gz JVNRSGARCDGVJN-MCIONIFRSA-N 1 0 222.376 2.415 20 30 BEEDRO CC[C@H]([NH2+]C[C@H]1CCN1C)c1cccc(C#N)c1 ZINC000903315897 584749750 /nfs/dbraw/zinc/74/97/50/584749750.db2.gz KZYQSHZHILYNKU-CABCVRRESA-N 1 0 243.354 2.303 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C#N)cc1 ZINC000903316603 584750044 /nfs/dbraw/zinc/75/00/44/584750044.db2.gz GEUUSCLNQBNOJB-GJZGRUSLSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cn(C)cn1)[C@@H]1CCCO1 ZINC000903350348 584754689 /nfs/dbraw/zinc/75/46/89/584754689.db2.gz AWCRYQTUJYDCTA-KBPBESRZSA-N 1 0 249.358 2.024 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000903395885 584757084 /nfs/dbraw/zinc/75/70/84/584757084.db2.gz OBEYGUQCGOTRJE-BHDSKKPTSA-N 1 0 248.301 2.383 20 30 BEEDRO N#CC1CCC(CN(C2CC2)[C@H]2CC[NH2+]C2)CC1 ZINC000903446480 584770114 /nfs/dbraw/zinc/77/01/14/584770114.db2.gz XDNWSHNMLWYXJZ-PIMMBPRGSA-N 1 0 247.386 2.143 20 30 BEEDRO N#CC1(CCCCN2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000903752478 584795519 /nfs/dbraw/zinc/79/55/19/584795519.db2.gz TXTWLPQISBUJGI-KGLIPLIRSA-N 1 0 247.386 2.144 20 30 BEEDRO CC[N@H+](CCN)CCCCC1(C#N)CCC1 ZINC000903769773 584797880 /nfs/dbraw/zinc/79/78/80/584797880.db2.gz NWUBLJMQGNHHIQ-UHFFFAOYSA-N 1 0 223.364 2.131 20 30 BEEDRO CN(Cc1cc(C#N)cs1)C[C@H]1CCC[NH2+]C1 ZINC000903825602 584804332 /nfs/dbraw/zinc/80/43/32/584804332.db2.gz ARAAPCGQGITTRX-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO C=C[C@@H]1CCCCN1C[C@H]([NH3+])CC(F)F ZINC000903914745 584819116 /nfs/dbraw/zinc/81/91/16/584819116.db2.gz VUADETKZIDTJCT-NXEZZACHSA-N 1 0 218.291 2.009 20 30 BEEDRO C=C1CC(C)(c2noc(C[C@@H]3CC[N@@H+](C)C3)n2)C1 ZINC000904110812 584841590 /nfs/dbraw/zinc/84/15/90/584841590.db2.gz HPCVROLKKHYMRC-NSHDSACASA-N 1 0 247.342 2.172 20 30 BEEDRO C=CCN(CCOC)C[C@@H]([NH3+])CCC(C)(C)C ZINC000904346692 584868327 /nfs/dbraw/zinc/86/83/27/584868327.db2.gz YGZRFXHXVYATOG-ZDUSSCGKSA-N 1 0 242.407 2.274 20 30 BEEDRO CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@H](C#N)C1 ZINC000904388141 584877747 /nfs/dbraw/zinc/87/77/47/584877747.db2.gz DYCLYHLQOIMRAF-CHWSQXEVSA-N 1 0 237.391 2.376 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000877051689 584889010 /nfs/dbraw/zinc/88/90/10/584889010.db2.gz MBBCJUOJITUYEF-ZBEGNZNMSA-N 1 0 244.404 2.063 20 30 BEEDRO C=C(Br)C[NH2+]C(C)(C)C(C)(C)O ZINC000223248944 584909154 /nfs/dbraw/zinc/90/91/54/584909154.db2.gz PAZXMEHUXJOYAL-UHFFFAOYSA-N 1 0 236.153 2.034 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCCC[C@@H]1C ZINC000834971451 584916107 /nfs/dbraw/zinc/91/61/07/584916107.db2.gz WUKATWWWZRJHKV-JBLDHEPKSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCON=C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000834978063 584916402 /nfs/dbraw/zinc/91/64/02/584916402.db2.gz BCQXZQAHLGHAMT-HNNXBMFYSA-N 1 0 244.338 2.142 20 30 BEEDRO C=CCO[NH+]=Cc1ccc(N(C)C)cc1 ZINC000754778740 584929402 /nfs/dbraw/zinc/92/94/02/584929402.db2.gz NBVNHGOVXSSJGO-UHFFFAOYSA-N 1 0 204.273 2.289 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000766902584 584944553 /nfs/dbraw/zinc/94/45/53/584944553.db2.gz LGFLTOLKTFDACU-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO C=CCNN=C(C)c1cccc(C[NH+](C)C)c1 ZINC000814927674 584948325 /nfs/dbraw/zinc/94/83/25/584948325.db2.gz ABMWATZWRIZPSX-UHFFFAOYSA-N 1 0 231.343 2.248 20 30 BEEDRO CCOCCC[N@@H+]1CCC(=NOCC)[C@@H](C)C1 ZINC000735226816 584974216 /nfs/dbraw/zinc/97/42/16/584974216.db2.gz BIOGDEDOWLOEDF-LBPRGKRZSA-N 1 0 242.363 2.147 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(-c2ccccc2)o1 ZINC000755873080 584994106 /nfs/dbraw/zinc/99/41/06/584994106.db2.gz FYLSBMNUACZHFS-UHFFFAOYSA-N 1 0 242.282 2.154 20 30 BEEDRO C=C(Cl)CNC(=O)C[N@@H+](C)CCCCCC ZINC000736246257 584994127 /nfs/dbraw/zinc/99/41/27/584994127.db2.gz UJWZHDZOEXCIAV-UHFFFAOYSA-N 1 0 246.782 2.367 20 30 BEEDRO CC(=[NH+]NC[C@H](C)C#N)c1ccc(N(C)C)cc1 ZINC000771109087 585000115 /nfs/dbraw/zinc/00/01/15/585000115.db2.gz XBWGACKBRDXUCX-LLVKDONJSA-N 1 0 244.342 2.226 20 30 BEEDRO Cc1cccc(CC(=[NH+]n2cnnc2)C2CC2)c1 ZINC000736429268 585001879 /nfs/dbraw/zinc/00/18/79/585001879.db2.gz TZIZSJFGTVOFFC-UHFFFAOYSA-N 1 0 240.310 2.443 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000820824502 585014863 /nfs/dbraw/zinc/01/48/63/585014863.db2.gz TWWVLWXQGAHYIM-LLVKDONJSA-N 1 0 236.315 2.031 20 30 BEEDRO C[C@@H]1C[NH+](C[C@@H](O)CC2(C#N)CCC2)C[C@H]1C ZINC000886027372 585036234 /nfs/dbraw/zinc/03/62/34/585036234.db2.gz DTGNUKNYCJZCOW-UPJWGTAASA-N 1 0 236.359 2.019 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)C[C@H](O)C1CC1 ZINC000838865250 585076239 /nfs/dbraw/zinc/07/62/39/585076239.db2.gz NVPLEXIUKOMOFC-AWEZNQCLSA-N 1 0 238.375 2.409 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000839016092 585087329 /nfs/dbraw/zinc/08/73/29/585087329.db2.gz WUBPHMPLOZZOTG-CHWSQXEVSA-N 1 0 219.328 2.090 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(CCC2)C1)[C@@H]1CCCO1 ZINC000839016093 585087359 /nfs/dbraw/zinc/08/73/59/585087359.db2.gz WUBPHMPLOZZOTG-OLZOCXBDSA-N 1 0 219.328 2.090 20 30 BEEDRO COc1cccc(C[NH2+]CC(C)(C)CC#N)c1O ZINC000839163062 585098002 /nfs/dbraw/zinc/09/80/02/585098002.db2.gz GREHLJNTDNTFQA-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO C=CCN(C(=O)CCCC[NH+](C)C)C(C)C ZINC000741211364 585111103 /nfs/dbraw/zinc/11/11/03/585111103.db2.gz JUGGNWNDFDZVBC-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO CCC(CC)N=NC1CC[N@H+](C)[C@@H](C)C1 ZINC000741461283 585114325 /nfs/dbraw/zinc/11/43/25/585114325.db2.gz UIWIXVPWXVDHKJ-JTQLQIEISA-N 1 0 211.353 2.235 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(F)cn2)CC[N@@H+]1C ZINC000741464030 585114459 /nfs/dbraw/zinc/11/44/59/585114459.db2.gz KTQXLWCQWBNUNU-SECBINFHSA-N 1 0 236.294 2.103 20 30 BEEDRO C[C@H]1CC(=NNCc2cccc(F)c2)CC[N@@H+]1C ZINC000741460322 585114470 /nfs/dbraw/zinc/11/44/70/585114470.db2.gz NHINKCICBTYVCF-NSHDSACASA-N 1 0 249.333 2.385 20 30 BEEDRO CC(C)(C)CN(CCC#N)CC[NH+]1CCCC1 ZINC000741754691 585117581 /nfs/dbraw/zinc/11/75/81/585117581.db2.gz VKXVVMTVZSYOHA-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]21 ZINC000741811032 585119966 /nfs/dbraw/zinc/11/99/66/585119966.db2.gz OQVSCDRUFSLBMH-UTUOFQBUSA-N 1 0 217.316 2.018 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000742387273 585125380 /nfs/dbraw/zinc/12/53/80/585125380.db2.gz QOFOHWBTRRLOBQ-CYBMUJFWSA-N 1 0 243.354 2.132 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000886363944 585134397 /nfs/dbraw/zinc/13/43/97/585134397.db2.gz JSNVIERCTNLXSP-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000886363947 585134579 /nfs/dbraw/zinc/13/45/79/585134579.db2.gz JUQBWEKUBBHFLK-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000886365193 585134864 /nfs/dbraw/zinc/13/48/64/585134864.db2.gz BTQOWYLCTSUFFW-HSBZDZAISA-N 1 0 221.344 2.288 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](OCC)C2CC2)C1 ZINC000886366025 585134881 /nfs/dbraw/zinc/13/48/81/585134881.db2.gz VLETVTHSBLTVLT-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000746135380 585163754 /nfs/dbraw/zinc/16/37/54/585163754.db2.gz NFKGOKNGGKUEAU-UHFFFAOYSA-N 1 0 212.296 2.402 20 30 BEEDRO C#CC[N@@H+](CCOC)Cc1ccc(C)cc1C ZINC000746154806 585164042 /nfs/dbraw/zinc/16/40/42/585164042.db2.gz QGYJHURGKYHFII-UHFFFAOYSA-N 1 0 231.339 2.385 20 30 BEEDRO COc1ccc(C[NH2+]Cc2cc[nH]c2)cc1C#N ZINC000746740678 585172460 /nfs/dbraw/zinc/17/24/60/585172460.db2.gz GTGWUXZOWQAYAD-UHFFFAOYSA-N 1 0 241.294 2.185 20 30 BEEDRO C=CCCC(=O)OCCCCC[NH+](C)C ZINC000747762069 585183574 /nfs/dbraw/zinc/18/35/74/585183574.db2.gz BQUIVSWDFDKGLX-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc(C)cc1 ZINC000749154649 585199720 /nfs/dbraw/zinc/19/97/20/585199720.db2.gz FYINCNJWUHJWLA-UHFFFAOYSA-N 1 0 201.313 2.493 20 30 BEEDRO C#CC[N@H+](Cc1ccnc(C#N)c1)C1CCCC1 ZINC000749523049 585203300 /nfs/dbraw/zinc/20/33/00/585203300.db2.gz MYKNTQREIXGBBQ-UHFFFAOYSA-N 1 0 239.322 2.331 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000749562710 585203694 /nfs/dbraw/zinc/20/36/94/585203694.db2.gz RPROSOURNDYJDP-VXGBXAGGSA-N 1 0 229.751 2.487 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000749562706 585203804 /nfs/dbraw/zinc/20/38/04/585203804.db2.gz RPROSOURNDYJDP-RYUDHWBXSA-N 1 0 229.751 2.487 20 30 BEEDRO CC[N@@H+]1CCC(=NOCC(C)C)[C@H](C)C1 ZINC000749631660 585204820 /nfs/dbraw/zinc/20/48/20/585204820.db2.gz NUENFOIAFJELMF-LLVKDONJSA-N 1 0 212.337 2.377 20 30 BEEDRO CNC(NCc1ccc2[nH]c(C)c(C)c2c1)=[NH+]C ZINC000750544694 585217131 /nfs/dbraw/zinc/21/71/31/585217131.db2.gz SNNQDPBAYIECGX-UHFFFAOYSA-N 1 0 244.342 2.080 20 30 BEEDRO CNC(NCc1ccc(-c2ccccc2)o1)=[NH+]C ZINC000750543178 585217247 /nfs/dbraw/zinc/21/72/47/585217247.db2.gz DNVKOZQSDPPBSW-UHFFFAOYSA-N 1 0 243.310 2.241 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccc(F)cc1F ZINC000752158016 585242661 /nfs/dbraw/zinc/24/26/61/585242661.db2.gz SKFMUFIFWMMSMH-MRVPVSSYSA-N 1 0 239.269 2.314 20 30 BEEDRO CC1(C)CCC[C@H](C=[NH+]n2cnnc2)C1 ZINC000752713499 585248747 /nfs/dbraw/zinc/24/87/47/585248747.db2.gz PAIWUZRKMGBFPI-JTQLQIEISA-N 1 0 206.293 2.328 20 30 BEEDRO CC[C@@H](C)N[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000790182248 585259094 /nfs/dbraw/zinc/25/90/94/585259094.db2.gz CNLDUMNTTFDSPA-LLVKDONJSA-N 1 0 234.347 2.260 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCCC[C@H]1C ZINC000753545788 585261172 /nfs/dbraw/zinc/26/11/72/585261172.db2.gz GWVOHYNLNGYTLC-ZIAGYGMSSA-N 1 0 203.329 2.381 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000753589644 585262895 /nfs/dbraw/zinc/26/28/95/585262895.db2.gz LJKXOPJRSYIKEU-KGLIPLIRSA-N 1 0 231.339 2.418 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(OCC)cc1 ZINC000753765871 585268411 /nfs/dbraw/zinc/26/84/11/585268411.db2.gz CZMBJCVUUROGBQ-ZDUSSCGKSA-N 1 0 247.338 2.386 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000753768929 585268619 /nfs/dbraw/zinc/26/86/19/585268619.db2.gz ONOMXEHJQJBSOB-ZDUSSCGKSA-N 1 0 246.354 2.053 20 30 BEEDRO CC(CC1CCC1)=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753934532 585272222 /nfs/dbraw/zinc/27/22/22/585272222.db2.gz JAUIMIXEUMQNQF-BETUJISGSA-N 1 0 248.374 2.413 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC1OCCCO1 ZINC000754643425 585288601 /nfs/dbraw/zinc/28/86/01/585288601.db2.gz WSQVTJYFOXCDLK-UHFFFAOYSA-N 1 0 213.321 2.038 20 30 BEEDRO CC#CCOC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000754875073 585291945 /nfs/dbraw/zinc/29/19/45/585291945.db2.gz VZXXWMNPIDUIAN-UHFFFAOYSA-N 1 0 237.343 2.206 20 30 BEEDRO c1cc2c(ccnc2N=NCc2c[nH]cn2)s1 ZINC000755651685 585303388 /nfs/dbraw/zinc/30/33/88/585303388.db2.gz XMMOLXLRXFDCEK-UHFFFAOYSA-N 1 0 243.295 2.465 20 30 BEEDRO CC(C)[N@H+]1CC(=NO[C@@H]2CCCCO2)[C@H](C)C1 ZINC000755821135 585308195 /nfs/dbraw/zinc/30/81/95/585308195.db2.gz BLXMJUJTCWYJJQ-DGCLKSJQSA-N 1 0 240.347 2.246 20 30 BEEDRO C#CC[N@H+]1Cc2ccccc2N(C)C[C@@H]1CC ZINC000756026421 585313392 /nfs/dbraw/zinc/31/33/92/585313392.db2.gz BZQOACDNNYOPQE-AWEZNQCLSA-N 1 0 228.339 2.350 20 30 BEEDRO C[C@@H](C=[NH+]n1cnnc1)c1ccc(F)cc1 ZINC000756872773 585324578 /nfs/dbraw/zinc/32/45/78/585324578.db2.gz LLRVNWJEROGYOS-VIFPVBQESA-N 1 0 218.235 2.055 20 30 BEEDRO C=C(Cl)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000839535931 585328660 /nfs/dbraw/zinc/32/86/60/585328660.db2.gz KRDHXOFHDKUPGQ-UHFFFAOYSA-N 1 0 228.767 2.299 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@]1(C)CCCO ZINC000839537910 585329970 /nfs/dbraw/zinc/32/99/70/585329970.db2.gz XRFCGVAKKSIRSS-LLVKDONJSA-N 1 0 217.740 2.366 20 30 BEEDRO C#CC[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1 ZINC000839540196 585330032 /nfs/dbraw/zinc/33/00/32/585330032.db2.gz HWMBMJYPKIQRQR-OCCSQVGLSA-N 1 0 217.312 2.112 20 30 BEEDRO C=C(Cl)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000839575994 585330568 /nfs/dbraw/zinc/33/05/68/585330568.db2.gz XBYVRMXRWYYALA-JTQLQIEISA-N 1 0 217.740 2.364 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@H](CO)C(=C)C ZINC000839601922 585331501 /nfs/dbraw/zinc/33/15/01/585331501.db2.gz OPKSPGKYQCWKTH-OAHLLOKOSA-N 1 0 229.323 2.059 20 30 BEEDRO C#CCCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000839634012 585333207 /nfs/dbraw/zinc/33/32/07/585333207.db2.gz AOCKVYNALOAMMF-CABCVRRESA-N 1 0 229.323 2.208 20 30 BEEDRO C=C(Cl)CN1CCC[C@](C)(C(=O)OC)C1 ZINC000839668038 585334625 /nfs/dbraw/zinc/33/46/25/585334625.db2.gz WGWXXDFVETZKQU-NSHDSACASA-N 1 0 231.723 2.014 20 30 BEEDRO CON=C1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000757585647 585342499 /nfs/dbraw/zinc/34/24/99/585342499.db2.gz GQRJLQXYFLSCKF-NSHDSACASA-N 1 0 218.300 2.283 20 30 BEEDRO C[N@@H+]1CCCC(N=Nc2cccc(C#N)c2)CC1 ZINC000758097645 585348842 /nfs/dbraw/zinc/34/88/42/585348842.db2.gz GDTFZSGSMWZYRF-UHFFFAOYSA-N 1 0 242.326 2.442 20 30 BEEDRO C[N@@H+]1CCCC(=NNCc2ccccc2)CC1 ZINC000758096441 585348995 /nfs/dbraw/zinc/34/89/95/585348995.db2.gz UEUCVUZLAOVXDJ-UHFFFAOYSA-N 1 0 231.343 2.248 20 30 BEEDRO C[N@@H+]1CCCC(N=Nc2ccc(F)cn2)CC1 ZINC000758111682 585349225 /nfs/dbraw/zinc/34/92/25/585349225.db2.gz YLJCBNJIDFXQNT-UHFFFAOYSA-N 1 0 236.294 2.104 20 30 BEEDRO Cc1ccc(N=NC2CCC[N@@H+](C)CC2)nc1 ZINC000758121204 585349421 /nfs/dbraw/zinc/34/94/21/585349421.db2.gz VHVLPXUSBFGMGZ-UHFFFAOYSA-N 1 0 232.331 2.274 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(OC)cc1 ZINC000760818486 585398096 /nfs/dbraw/zinc/39/80/96/585398096.db2.gz FGMQWGVYVXEKJO-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCC[NH+]1CCN(c2ccc(CC)cc2)CC1 ZINC000760842067 585399292 /nfs/dbraw/zinc/39/92/92/585399292.db2.gz VWZAITPAJMWHHG-UHFFFAOYSA-N 1 0 242.366 2.394 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000760843017 585399359 /nfs/dbraw/zinc/39/93/59/585399359.db2.gz HKNLBHMCOMZHEX-CYBMUJFWSA-N 1 0 200.285 2.242 20 30 BEEDRO C#CCC[NH+]1CCN(c2cc(C)ccc2C)CC1 ZINC000760847524 585399710 /nfs/dbraw/zinc/39/97/10/585399710.db2.gz ODIRAXFQRZYXHQ-UHFFFAOYSA-N 1 0 242.366 2.449 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccccc1)[C@@H](C)C(=O)OC ZINC000760859988 585399999 /nfs/dbraw/zinc/39/99/99/585399999.db2.gz JYRIINHZCMEKNO-OCCSQVGLSA-N 1 0 245.322 2.150 20 30 BEEDRO C#CCC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000760860582 585400190 /nfs/dbraw/zinc/40/01/90/585400190.db2.gz PQUKDUIZWZWQGP-UHFFFAOYSA-N 1 0 230.311 2.017 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000760887547 585401329 /nfs/dbraw/zinc/40/13/29/585401329.db2.gz RKZGDIXOXLYUMD-INIZCTEOSA-N 1 0 243.350 2.283 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761080516 585406803 /nfs/dbraw/zinc/40/68/03/585406803.db2.gz WQYZHKBGPCCHRP-OLZOCXBDSA-N 1 0 243.354 2.255 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@H](C)c1ccccc1 ZINC000761107371 585409659 /nfs/dbraw/zinc/40/96/59/585409659.db2.gz DVWWJMPEPNNYJE-AWEZNQCLSA-N 1 0 231.339 2.372 20 30 BEEDRO C=CCCCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000805221859 585413394 /nfs/dbraw/zinc/41/33/94/585413394.db2.gz WMGHDTWBHUDGRC-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO COc1cccc(N=NC2C[C@H](C)[N@H+](C)C2)c1 ZINC000761804522 585418821 /nfs/dbraw/zinc/41/88/21/585418821.db2.gz POHRXQRSEFDMDM-JTQLQIEISA-N 1 0 233.315 2.187 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc(F)c2)C[N@@H+]1C ZINC000761811812 585419196 /nfs/dbraw/zinc/41/91/96/585419196.db2.gz IPSLFXKDXAREGY-VIFPVBQESA-N 1 0 221.279 2.318 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc(F)c2F)C[N@@H+]1C ZINC000761813404 585419211 /nfs/dbraw/zinc/41/92/11/585419211.db2.gz SQZOIMMCZRMFIT-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO C[C@@H]1CC(N=Nc2ncccc2Cl)C[N@@H+]1C ZINC000761813599 585419260 /nfs/dbraw/zinc/41/92/60/585419260.db2.gz ZLGCIXAMNKMGSR-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000763804386 585454954 /nfs/dbraw/zinc/45/49/54/585454954.db2.gz QSGWTNSJWBFOAE-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(OCC)cc1 ZINC000763897442 585456636 /nfs/dbraw/zinc/45/66/36/585456636.db2.gz ZNUWJHLKXHNKJA-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000763921515 585456758 /nfs/dbraw/zinc/45/67/58/585456758.db2.gz UUDMLWNWTDDOMR-KGYLQXTDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(F)ccc1C ZINC000763902146 585456932 /nfs/dbraw/zinc/45/69/32/585456932.db2.gz UDNYSVHPGMGUOR-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCC1=CCCCC1 ZINC000763948951 585457636 /nfs/dbraw/zinc/45/76/36/585457636.db2.gz SCMJCWZMJVUPAE-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCCC(C)C ZINC000764100413 585459758 /nfs/dbraw/zinc/45/97/58/585459758.db2.gz UPHZSSYXSVEFOT-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCCCC1CCCC1 ZINC000764147718 585461068 /nfs/dbraw/zinc/46/10/68/585461068.db2.gz XBWJTWHOQOEYLS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(Cl)CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000764536133 585467616 /nfs/dbraw/zinc/46/76/16/585467616.db2.gz FIWHFRVHCOMJHD-NSHDSACASA-N 1 0 244.766 2.120 20 30 BEEDRO Fc1cccc(CNN=C2CC[N@@H+]3CCC[C@H]23)c1 ZINC000765573861 585489853 /nfs/dbraw/zinc/48/98/53/585489853.db2.gz VHXKXKSTGCHRPQ-CQSZACIVSA-N 1 0 247.317 2.139 20 30 BEEDRO N#Cc1cccc(N=NC2CC[N@@H+]3CCC[C@H]23)c1 ZINC000765567127 585489968 /nfs/dbraw/zinc/48/99/68/585489968.db2.gz ZZGSPINZCKTRLK-CQSZACIVSA-N 1 0 240.310 2.194 20 30 BEEDRO Cc1cccc(CNN=C2CC[N@@H+]3CCC[C@H]23)c1 ZINC000765585270 585490489 /nfs/dbraw/zinc/49/04/89/585490489.db2.gz YOYXNMVTKJMVCE-OAHLLOKOSA-N 1 0 243.354 2.309 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOc2cccnc2)C1 ZINC000765924891 585493641 /nfs/dbraw/zinc/49/36/41/585493641.db2.gz AHXNNIMDCGKRNV-OLZOCXBDSA-N 1 0 245.326 2.132 20 30 BEEDRO C#CCCNc1ncnc2c1cnn2C(C)(C)C ZINC000766407515 585501942 /nfs/dbraw/zinc/50/19/42/585501942.db2.gz ORMGDFOHOUNMKG-UHFFFAOYSA-N 1 0 243.314 2.017 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000766665955 585504728 /nfs/dbraw/zinc/50/47/28/585504728.db2.gz LFTQQYUYFIZARS-LLVKDONJSA-N 1 0 240.306 2.394 20 30 BEEDRO C#CCCC[N@@H+](CCOC)C1CCCC1 ZINC000766894533 585509460 /nfs/dbraw/zinc/50/94/60/585509460.db2.gz DKTHFBBZCGKIEH-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCOC(=O)[C@H](CC)[NH+](CC)CC ZINC000766900929 585510121 /nfs/dbraw/zinc/51/01/21/585510121.db2.gz OPVRWEOPVMOKAK-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000766908901 585511095 /nfs/dbraw/zinc/51/10/95/585511095.db2.gz DHWFJWMVGPKBRO-CYBMUJFWSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767376646 585518482 /nfs/dbraw/zinc/51/84/82/585518482.db2.gz USLYFQCMYRJKSO-UHFFFAOYSA-N 1 0 207.317 2.254 20 30 BEEDRO Cc1ccnc(N=NC(C)CC[NH+](C)C)c1 ZINC000767384147 585518667 /nfs/dbraw/zinc/51/86/67/585518667.db2.gz CANWQQNQDKLRKO-UHFFFAOYSA-N 1 0 220.320 2.130 20 30 BEEDRO Cc1ccc(N=NC(C)CC[NH+](C)C)nc1 ZINC000767378210 585518864 /nfs/dbraw/zinc/51/88/64/585518864.db2.gz QDGHHCMUKXDQPF-UHFFFAOYSA-N 1 0 220.320 2.130 20 30 BEEDRO CO[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000767491694 585521260 /nfs/dbraw/zinc/52/12/60/585521260.db2.gz RDQOCQKMZLTCPF-UHFFFAOYSA-N 1 0 217.272 2.017 20 30 BEEDRO C[C@@H]1C(=[NH+]n2cnnc2)C[C@H]1c1ccccc1 ZINC000767742531 585525398 /nfs/dbraw/zinc/52/53/98/585525398.db2.gz AZINHJNIPXFQAP-CMPLNLGQSA-N 1 0 226.283 2.306 20 30 BEEDRO C=CC[N@@H+](CC(OCC)OCC)C1CC1 ZINC000767814350 585526200 /nfs/dbraw/zinc/52/62/00/585526200.db2.gz ARHJZEJDLCPWEL-UHFFFAOYSA-N 1 0 213.321 2.036 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CC1=CCCOC1 ZINC000768153817 585533193 /nfs/dbraw/zinc/53/31/93/585533193.db2.gz KXBLIHHZTXSQNJ-UHFFFAOYSA-N 1 0 222.332 2.205 20 30 BEEDRO C#CC[N@@H+](CC#CC)Cc1cc(C)ccc1O ZINC000769452345 585557041 /nfs/dbraw/zinc/55/70/41/585557041.db2.gz XDTYJHOXHYGQQQ-UHFFFAOYSA-N 1 0 227.307 2.159 20 30 BEEDRO CC[C@@H]1C[C@@H](C)CCC1=[NH+]n1cnnc1 ZINC000769568384 585559831 /nfs/dbraw/zinc/55/98/31/585559831.db2.gz YXFXVHZMGPNQQJ-VHSXEESVSA-N 1 0 206.293 2.328 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@H](CCO)C1CC1 ZINC000769796244 585563507 /nfs/dbraw/zinc/56/35/07/585563507.db2.gz OJGNFKIUXWLPEZ-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[N@@H+](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000769802787 585563871 /nfs/dbraw/zinc/56/38/71/585563871.db2.gz VIKHCGQHDUUHNQ-UHFFFAOYSA-N 1 0 240.347 2.114 20 30 BEEDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000769945698 585566896 /nfs/dbraw/zinc/56/68/96/585566896.db2.gz SCPMFQXORSBNLI-YPMHNXCESA-N 1 0 230.311 2.483 20 30 BEEDRO COc1cccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1O ZINC000769945118 585566973 /nfs/dbraw/zinc/56/69/73/585566973.db2.gz PICKXXVEBYGVNE-JQWIXIFHSA-N 1 0 246.310 2.183 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(O)c1 ZINC000769940754 585567002 /nfs/dbraw/zinc/56/70/02/585567002.db2.gz BGVPJNFHFATHMO-ZYHUDNBSSA-N 1 0 246.310 2.183 20 30 BEEDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC000769945694 585567021 /nfs/dbraw/zinc/56/70/21/585567021.db2.gz SCPMFQXORSBNLI-AAEUAGOBSA-N 1 0 230.311 2.483 20 30 BEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)/C=C/C1CC1 ZINC000770803410 585581854 /nfs/dbraw/zinc/58/18/54/585581854.db2.gz KSSLZSXXKCIRQF-NHAQELONSA-N 1 0 249.354 2.230 20 30 BEEDRO C=C(CC)C[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000773427297 585636585 /nfs/dbraw/zinc/63/65/85/585636585.db2.gz JWJFZCHPXXMQMF-GFCCVEGCSA-N 1 0 225.332 2.180 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)nc1 ZINC000774369132 585656912 /nfs/dbraw/zinc/65/69/12/585656912.db2.gz KXDNSTCJZCNIIP-YPMHNXCESA-N 1 0 240.310 2.125 20 30 BEEDRO CC(N=NC(N)=[NH2+])C1(c2ccccc2)CCCC1 ZINC000774364947 585657008 /nfs/dbraw/zinc/65/70/08/585657008.db2.gz XEXBJRQBZOBPFP-UHFFFAOYSA-N 1 0 244.342 2.357 20 30 BEEDRO COC[C@H](C)N[NH+]=C1CCCNc2ccccc21 ZINC000774400508 585657405 /nfs/dbraw/zinc/65/74/05/585657405.db2.gz VRGDIOCAPHWQEZ-NSHDSACASA-N 1 0 247.342 2.221 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000774828605 585666752 /nfs/dbraw/zinc/66/67/52/585666752.db2.gz WCXJGHOBWJEBKO-AWEZNQCLSA-N 1 0 248.370 2.027 20 30 BEEDRO C=CC[N@H+](Cc1cnn(C=C)c1)C(C)C ZINC000774840977 585667299 /nfs/dbraw/zinc/66/72/99/585667299.db2.gz VIGCEGKDSWYIKZ-UHFFFAOYSA-N 1 0 205.305 2.380 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(F)ccc1C)[C@@H]1CCCO1 ZINC000775347185 585676571 /nfs/dbraw/zinc/67/65/71/585676571.db2.gz GCSGKYHJUZLPFY-GJZGRUSLSA-N 1 0 247.313 2.405 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000775552718 585679705 /nfs/dbraw/zinc/67/97/05/585679705.db2.gz KNABYZADAFBXAG-ZDUSSCGKSA-N 1 0 245.322 2.150 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1cnccc1C)[C@H]1CCCO1 ZINC000775571239 585680387 /nfs/dbraw/zinc/68/03/87/585680387.db2.gz DCUZLHQONGMJFQ-AEGPPILISA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCC(F)(F)F)[C@@H]1CCCO1 ZINC000775572794 585680647 /nfs/dbraw/zinc/68/06/47/585680647.db2.gz CZCYRSSUKLJQOA-VWYCJHECSA-N 1 0 249.276 2.488 20 30 BEEDRO C=CC[N@@H+](Cc1cn(C)nc1CC)C(C)C ZINC000775656656 585682466 /nfs/dbraw/zinc/68/24/66/585682466.db2.gz LVIJVORKROTZFF-UHFFFAOYSA-N 1 0 221.348 2.379 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000775663225 585682875 /nfs/dbraw/zinc/68/28/75/585682875.db2.gz RUPKPBRCJUTWJC-CYBMUJFWSA-N 1 0 239.359 2.428 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(CF)cc1)[C@H]1CCCO1 ZINC000775806700 585685464 /nfs/dbraw/zinc/68/54/64/585685464.db2.gz NDSUWGFYCUZEBH-LSDHHAIUSA-N 1 0 247.313 2.427 20 30 BEEDRO CN(C)c1cc[nH+]cc1C=NO[C@@H]1CCCCO1 ZINC000776188318 585692473 /nfs/dbraw/zinc/69/24/73/585692473.db2.gz ZJVJBZKVJWQWGZ-CYBMUJFWSA-N 1 0 249.314 2.025 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC[C@H](C)C1 ZINC000776518304 585699686 /nfs/dbraw/zinc/69/96/86/585699686.db2.gz UDGJFRHBXBGELK-MELADBBJSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@]1(C)CCCO ZINC000776599160 585702351 /nfs/dbraw/zinc/70/23/51/585702351.db2.gz VPQMYPBUOYNHJK-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCN1CC[NH+](C[C@H]2CCC[C@H](C)C2)CC1 ZINC000776592517 585702469 /nfs/dbraw/zinc/70/24/69/585702469.db2.gz IMSFEAFSPXEKRU-HOTGVXAUSA-N 1 0 248.414 2.454 20 30 BEEDRO COc1cc(C)nc(CN=Nc2ccccn2)c1 ZINC000776759682 585704938 /nfs/dbraw/zinc/70/49/38/585704938.db2.gz VBFQZSSXXWWZDH-UHFFFAOYSA-N 1 0 242.282 2.240 20 30 BEEDRO C=CCCCCC[N@@H+](C)CC1OCCO1 ZINC000777589801 585716292 /nfs/dbraw/zinc/71/62/92/585716292.db2.gz UMMKODPSRUUGBK-UHFFFAOYSA-N 1 0 213.321 2.038 20 30 BEEDRO CCCCCCC[N@H+](C)CCNC(=O)N(C)C ZINC000777717694 585719006 /nfs/dbraw/zinc/71/90/06/585719006.db2.gz ZVDICJZEGCHXRG-UHFFFAOYSA-N 1 0 243.395 2.160 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cc(Cl)ccn1 ZINC000777905428 585723411 /nfs/dbraw/zinc/72/34/11/585723411.db2.gz GZMLTQKIEQIFEE-QMMMGPOBSA-N 1 0 238.722 2.084 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cc(Cl)ccn1 ZINC000777905427 585723558 /nfs/dbraw/zinc/72/35/58/585723558.db2.gz GZMLTQKIEQIFEE-MRVPVSSYSA-N 1 0 238.722 2.084 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000778174205 585726744 /nfs/dbraw/zinc/72/67/44/585726744.db2.gz MFOOQFGFVAXYMN-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO CC[C@H](C(=O)OCC(C)(C)C#N)[NH+](CC)CC ZINC000778715486 585739678 /nfs/dbraw/zinc/73/96/78/585739678.db2.gz YDLZKRLJGLTBFK-LLVKDONJSA-N 1 0 240.347 2.200 20 30 BEEDRO CC1(C=[NH+]n2cnnc2)CCCCCC1 ZINC000779757143 585761237 /nfs/dbraw/zinc/76/12/37/585761237.db2.gz ZHOGITZXLWKFTN-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO CC(CCCC(C)C)=NNC1=[NH+][C@@H](C)CN1 ZINC000779792213 585763707 /nfs/dbraw/zinc/76/37/07/585763707.db2.gz QCZKIKQAPPADNH-NSHDSACASA-N 1 0 224.352 2.126 20 30 BEEDRO CC(=NNc1ccncc1)c1csc(C)n1 ZINC000779811732 585766564 /nfs/dbraw/zinc/76/65/64/585766564.db2.gz SPKYXYWVZMNDQL-UHFFFAOYSA-N 1 0 232.312 2.105 20 30 BEEDRO C[C@H]1CC(N=Nc2ccnc(F)c2)CC[N@@H+]1C ZINC000781127296 585790957 /nfs/dbraw/zinc/79/09/57/585790957.db2.gz LVMVLQQVACNBEL-VIFPVBQESA-N 1 0 236.294 2.103 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000781352693 585795181 /nfs/dbraw/zinc/79/51/81/585795181.db2.gz GDAIKUYESPDOCF-SNVBAGLBSA-N 1 0 217.259 2.103 20 30 BEEDRO C[N@@H+]1CCCC(=NNCCC(C)(C)C)CC1 ZINC000782902782 585825691 /nfs/dbraw/zinc/82/56/91/585825691.db2.gz KMIYTPLQRFVOMD-UHFFFAOYSA-N 1 0 225.380 2.484 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000783293514 585833436 /nfs/dbraw/zinc/83/34/36/585833436.db2.gz GLHCMSVAOUUICV-QJPTWQEYSA-N 1 0 230.315 2.128 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000805748661 585838684 /nfs/dbraw/zinc/83/86/84/585838684.db2.gz QTIRMCBEXBEQOY-OCCSQVGLSA-N 1 0 245.326 2.147 20 30 BEEDRO CC[C@@H]1CCC[C@@H](C=[NH+]n2cnnc2)C1 ZINC000783770690 585842789 /nfs/dbraw/zinc/84/27/89/585842789.db2.gz HOIGPAWLDPFHDM-GHMZBOCLSA-N 1 0 206.293 2.328 20 30 BEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]CCCC#N)cc1 ZINC000784621198 585864919 /nfs/dbraw/zinc/86/49/19/585864919.db2.gz GMMRFERMNJYGME-GFCCVEGCSA-N 1 0 243.310 2.371 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)N1CC[N@H+](C)[C@H](C)C1 ZINC000785478138 585874575 /nfs/dbraw/zinc/87/45/75/585874575.db2.gz MBGDMAHQNXNZSG-CHWSQXEVSA-N 1 0 243.354 2.255 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(F)nc1C ZINC000785490021 585874658 /nfs/dbraw/zinc/87/46/58/585874658.db2.gz UQTCSOCPRLKZFV-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000785828727 585881467 /nfs/dbraw/zinc/88/14/67/585881467.db2.gz ZBRZADUGUMDVPW-OLZOCXBDSA-N 1 0 209.333 2.047 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CCC1OCCCO1 ZINC000785998051 585884959 /nfs/dbraw/zinc/88/49/59/585884959.db2.gz VWLWRUZLUWZUND-GFCCVEGCSA-N 1 0 225.332 2.180 20 30 BEEDRO C=C[C@@H]1CCCCN1CC[NH+]1CCCC1 ZINC000785998175 585885151 /nfs/dbraw/zinc/88/51/51/585885151.db2.gz YBTSGZMEQSLIIG-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCCN(C)CN1C(=O)C[C@H]1c1ccccc1 ZINC000786102329 585887262 /nfs/dbraw/zinc/88/72/62/585887262.db2.gz NFHSACXWIXVKSO-AWEZNQCLSA-N 1 0 244.338 2.425 20 30 BEEDRO C=CCC[N@@H+](C)CN1C[C@@H](CCC)CC1=O ZINC000786101452 585887522 /nfs/dbraw/zinc/88/75/22/585887522.db2.gz GCMNWZFZTUGDEB-LBPRGKRZSA-N 1 0 224.348 2.100 20 30 BEEDRO CCOCCC=[NH+]n1cnnc1-c1ccccc1 ZINC000788422808 585922884 /nfs/dbraw/zinc/92/28/84/585922884.db2.gz XECIXSUREHDRDO-UHFFFAOYSA-N 1 0 244.298 2.206 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NOCC(F)(F)F)C1 ZINC000788435832 585923175 /nfs/dbraw/zinc/92/31/75/585923175.db2.gz YLZNHRJNDLATFV-SECBINFHSA-N 1 0 238.253 2.426 20 30 BEEDRO CC[C@@H](C)NN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000788441544 585923889 /nfs/dbraw/zinc/92/38/89/585923889.db2.gz SGFHLJMRDMGUNO-ZYHUDNBSSA-N 1 0 211.353 2.235 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788779662 585930486 /nfs/dbraw/zinc/93/04/86/585930486.db2.gz YMMAQPSYONVZDA-SNVBAGLBSA-N 1 0 247.298 2.241 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000789454615 585943082 /nfs/dbraw/zinc/94/30/82/585943082.db2.gz BWFWQLGPQPEBEP-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C#CCCC[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000790549727 585965943 /nfs/dbraw/zinc/96/59/43/585965943.db2.gz YWBFWFSWFVQQOH-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H]1C ZINC000791580211 585984916 /nfs/dbraw/zinc/98/49/16/585984916.db2.gz XUFYSQPCKMBRCZ-IUCAKERBSA-N 1 0 205.223 2.282 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C[C@@H](C)CC ZINC000791799329 585988058 /nfs/dbraw/zinc/98/80/58/585988058.db2.gz ALSXEUZABRVMGY-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792923956 586007131 /nfs/dbraw/zinc/00/71/31/586007131.db2.gz VZQPZMMBFVGJFT-CHWSQXEVSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000793527966 586021942 /nfs/dbraw/zinc/02/19/42/586021942.db2.gz QYWANPJXHMLAEH-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C2CC2)ccn1 ZINC000794101380 586032033 /nfs/dbraw/zinc/03/20/33/586032033.db2.gz MTZQSQYERLGNOF-UHFFFAOYSA-N 1 0 245.326 2.015 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)CCCC ZINC000794195508 586035068 /nfs/dbraw/zinc/03/50/68/586035068.db2.gz ZVNKTLVWMASGKA-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cc(C)ccn1 ZINC000794578638 586045200 /nfs/dbraw/zinc/04/52/00/586045200.db2.gz CGLHVNUJUYUIOD-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000794819765 586049501 /nfs/dbraw/zinc/04/95/01/586049501.db2.gz XTBOKLZYIIBEJX-CYBMUJFWSA-N 1 0 231.343 2.191 20 30 BEEDRO C#CCOCCNc1cc[nH+]c2c(O)cccc12 ZINC000795135372 586069395 /nfs/dbraw/zinc/06/93/95/586069395.db2.gz VEMLWIYUGAYTRD-UHFFFAOYSA-N 1 0 242.278 2.002 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000796033585 586096652 /nfs/dbraw/zinc/09/66/52/586096652.db2.gz RXMGSXLWJDTZBP-UHFFFAOYSA-N 1 0 239.221 2.073 20 30 BEEDRO COc1cccc(O)c1C[NH2+]CC1(CC#N)CC1 ZINC000797469366 586127656 /nfs/dbraw/zinc/12/76/56/586127656.db2.gz XHOROGKALXSMPY-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO Cc1nc(F)ccc1C[NH2+]CC1(CC#N)CC1 ZINC000797468868 586127696 /nfs/dbraw/zinc/12/76/96/586127696.db2.gz RAXHGCFZBSVQNT-UHFFFAOYSA-N 1 0 233.290 2.313 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H]1CCC=CO1 ZINC000798086835 586136592 /nfs/dbraw/zinc/13/65/92/586136592.db2.gz VNOGRSNUJVGDDA-RDBSUJKOSA-N 1 0 237.343 2.250 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CC(C)C2)cc1 ZINC000798182493 586138577 /nfs/dbraw/zinc/13/85/77/586138577.db2.gz GTEDTJPAHLIZDG-UHFFFAOYSA-N 1 0 215.296 2.150 20 30 BEEDRO C=C[C@@H](CC)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798847098 586151261 /nfs/dbraw/zinc/15/12/61/586151261.db2.gz GMSZIJFKAFGUEJ-WDEREUQCSA-N 1 0 213.321 2.080 20 30 BEEDRO C=C(Cl)CN(C)CCC[NH+]1CCCC1 ZINC000799174135 586165150 /nfs/dbraw/zinc/16/51/50/586165150.db2.gz BSTREYHXUYGNKA-UHFFFAOYSA-N 1 0 216.756 2.157 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197398 586167140 /nfs/dbraw/zinc/16/71/40/586167140.db2.gz XEUFADOHZUJZME-GFCCVEGCSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197400 586167577 /nfs/dbraw/zinc/16/75/77/586167577.db2.gz XEUFADOHZUJZME-LBPRGKRZSA-N 1 0 202.301 2.447 20 30 BEEDRO C=CC[N@@H+](CC1(CC(=O)OC)CC1)C(C)C ZINC000799297333 586169243 /nfs/dbraw/zinc/16/92/43/586169243.db2.gz UBBZSHKBZTYJDQ-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCN(Cc1ccnc(F)c1)[C@@H](C)COC ZINC000859343642 589032511 /nfs/dbraw/zinc/03/25/11/589032511.db2.gz COANPKRUGIHGNJ-NSHDSACASA-N 1 0 238.306 2.244 20 30 BEEDRO Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000799724611 586194922 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ZINC000801939041 586280755 /nfs/dbraw/zinc/28/07/55/586280755.db2.gz PHPBEJAAXNQKPW-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1cccc2c1C[N@H+](CCO[C@H](C)C#N)CC2 ZINC000801949069 586282700 /nfs/dbraw/zinc/28/27/00/586282700.db2.gz BAOVSDBXCZOUMY-CYBMUJFWSA-N 1 0 244.338 2.282 20 30 BEEDRO CC(C)CCC(=NNC1=[NH+][C@@H](C)CN1)C1CC1 ZINC000802712842 586310427 /nfs/dbraw/zinc/31/04/27/586310427.db2.gz WKJVHTHFRJVVIL-JTQLQIEISA-N 1 0 236.363 2.126 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@H]2CCC[C@H]2C1=O ZINC000839998275 586344955 /nfs/dbraw/zinc/34/49/55/586344955.db2.gz HNJBBZOUHOMPOW-CHWSQXEVSA-N 1 0 236.359 2.100 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)OCCCC#N ZINC000803854428 586377455 /nfs/dbraw/zinc/37/74/55/586377455.db2.gz QNBPVZAVBWTCFE-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO Cc1ccc(C#N)c(NCC[N@H+]2CCC[C@H]2C)n1 ZINC000804520591 586398523 /nfs/dbraw/zinc/39/85/23/586398523.db2.gz GHCFKKYQQAUBMX-GFCCVEGCSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnnn1C ZINC000806660346 586416030 /nfs/dbraw/zinc/41/60/30/586416030.db2.gz VWBPSAIUXLHUHC-GFCCVEGCSA-N 1 0 236.363 2.430 20 30 BEEDRO CC(C)[N@H+]1CC(N=NCC2CCCC2)[C@H](C)C1 ZINC000808007515 586458666 /nfs/dbraw/zinc/45/86/66/586458666.db2.gz CKBDFHQOAKHFRX-GFCCVEGCSA-N 1 0 237.391 2.482 20 30 BEEDRO C=CC[N@@H+](Cc1cncc(OC)c1)C(C)C ZINC000808710580 586483868 /nfs/dbraw/zinc/48/38/68/586483868.db2.gz LKFPRZQCYXEELH-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO COc1cncc(CN(CCC#N)C(C)C)c1 ZINC000808733662 586485790 /nfs/dbraw/zinc/48/57/90/586485790.db2.gz WTEBWBNLVMJRMK-UHFFFAOYSA-N 1 0 233.315 2.214 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808776056 586489920 /nfs/dbraw/zinc/48/99/20/586489920.db2.gz AVNGSFUEPUEGRR-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C#Cc1ccc(CN2CC[NH+](CCC)CC2)cc1 ZINC000809537023 586506358 /nfs/dbraw/zinc/50/63/58/586506358.db2.gz DZJSOELYIKXUHU-UHFFFAOYSA-N 1 0 242.366 2.196 20 30 BEEDRO C=CC[N@H+](Cc1c(C)cnn1C)C(C)C ZINC000809546754 586506729 /nfs/dbraw/zinc/50/67/29/586506729.db2.gz GLCDGNISVJLIJF-UHFFFAOYSA-N 1 0 207.321 2.125 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000809569934 586507224 /nfs/dbraw/zinc/50/72/24/586507224.db2.gz HGMMZWGJXLHFDW-MNOVXSKESA-N 1 0 236.340 2.160 20 30 BEEDRO C[N@H+](CCCCc1ccccc1)C[C@H](O)CC#N ZINC000809571909 586507284 /nfs/dbraw/zinc/50/72/84/586507284.db2.gz DXRHYTZXDBNRFZ-OAHLLOKOSA-N 1 0 246.354 2.216 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1 ZINC000809580077 586508790 /nfs/dbraw/zinc/50/87/90/586508790.db2.gz JZJLVYCYFOBZTK-CYBMUJFWSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(CNCCC[NH+](CC)CC)cc1 ZINC000809632546 586509973 /nfs/dbraw/zinc/50/99/73/586509973.db2.gz RYXMJIWQWVWKTB-UHFFFAOYSA-N 1 0 244.382 2.489 20 30 BEEDRO C#Cc1ccc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000809644330 586510815 /nfs/dbraw/zinc/51/08/15/586510815.db2.gz QHVRXLJCEXTMJQ-KBPBESRZSA-N 1 0 242.366 2.192 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000809683629 586512256 /nfs/dbraw/zinc/51/22/56/586512256.db2.gz GNCOKKMOLBEGEL-WDEREUQCSA-N 1 0 245.322 2.130 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000809683663 586512384 /nfs/dbraw/zinc/51/23/84/586512384.db2.gz JEIDAUOSUHVBFJ-NSHDSACASA-N 1 0 233.311 2.124 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](C)COC ZINC000809718842 586514934 /nfs/dbraw/zinc/51/49/34/586514934.db2.gz ZJUFQIUZFPQZLE-AWEZNQCLSA-N 1 0 231.339 2.404 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000810027012 586531955 /nfs/dbraw/zinc/53/19/55/586531955.db2.gz UPCUSPDWWQOSMR-OLZOCXBDSA-N 1 0 221.344 2.289 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000810065840 586533346 /nfs/dbraw/zinc/53/33/46/586533346.db2.gz FBMCOTDXWBBJCC-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCCCCC(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810839752 586547821 /nfs/dbraw/zinc/54/78/21/586547821.db2.gz XQTJAYKIYLSHQZ-KGLIPLIRSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CC[N@@H+](CC)CC1Cc2ccccc2C1 ZINC000811458797 586559314 /nfs/dbraw/zinc/55/93/14/586559314.db2.gz QUAFSWMYAUDYGU-UHFFFAOYSA-N 1 0 213.324 2.357 20 30 BEEDRO C#CCON=C1CCCC[C@H]1[NH+]1CCCCC1 ZINC000812232255 586571017 /nfs/dbraw/zinc/57/10/17/586571017.db2.gz ACCZQPXIYINSHP-CQSZACIVSA-N 1 0 234.343 2.421 20 30 BEEDRO CC[N@@H+]1CCC(=NOC2CCC2)[C@@H](C)C1 ZINC000812235297 586571618 /nfs/dbraw/zinc/57/16/18/586571618.db2.gz RLZOPQAQSRCDLR-JTQLQIEISA-N 1 0 210.321 2.273 20 30 BEEDRO C#CCC[N@@H+](CC)[C@@H](C)[C@@H](O)c1ccccc1 ZINC000812850200 586588028 /nfs/dbraw/zinc/58/80/28/586588028.db2.gz RVLYHQNAEOJQEQ-DZGCQCFKSA-N 1 0 231.339 2.454 20 30 BEEDRO CC#CC[N@@H+](CC)[C@H](C)[C@H](O)c1ccccc1 ZINC000812850117 586588030 /nfs/dbraw/zinc/58/80/30/586588030.db2.gz LLOULODFLOTVJG-HIFRSBDPSA-N 1 0 231.339 2.454 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCCC1CC1 ZINC000813067011 586590410 /nfs/dbraw/zinc/59/04/10/586590410.db2.gz LFRFBFRSWVZYDO-CQSZACIVSA-N 1 0 249.354 2.208 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1=NOCCC1CC1 ZINC000814245417 586620141 /nfs/dbraw/zinc/62/01/41/586620141.db2.gz RKUDGZSHLHTZHT-JTQLQIEISA-N 1 0 222.332 2.273 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOCCC1CC1 ZINC000814245419 586620222 /nfs/dbraw/zinc/62/02/22/586620222.db2.gz RKUDGZSHLHTZHT-SNVBAGLBSA-N 1 0 222.332 2.273 20 30 BEEDRO C(CC1CC1)ON=C1CC[N@@H+]2CCC[C@@H]12 ZINC000814245443 586620310 /nfs/dbraw/zinc/62/03/10/586620310.db2.gz ZZZISTKUCUEFSE-LBPRGKRZSA-N 1 0 208.305 2.027 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CF)cc1 ZINC000814299450 586620861 /nfs/dbraw/zinc/62/08/61/586620861.db2.gz MQQVCZXCNKGWHG-QWRGUYRKSA-N 1 0 236.290 2.425 20 30 BEEDRO C[N@H+](CC(C)(C)C#N)CC1(O)CCCCC1 ZINC000814670064 586628436 /nfs/dbraw/zinc/62/84/36/586628436.db2.gz KXGXOPAPQJJZPC-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO Cc1ccc(C(C)N=Nc2ncccn2)c(C)n1 ZINC000814797319 586634914 /nfs/dbraw/zinc/63/49/14/586634914.db2.gz FYEASMJTHFLFPU-UHFFFAOYSA-N 1 0 241.298 2.325 20 30 BEEDRO CCCNN=C(C)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814804365 586635930 /nfs/dbraw/zinc/63/59/30/586635930.db2.gz LPAMEZYRGBERTJ-UHFFFAOYSA-N 1 0 245.370 2.098 20 30 BEEDRO CC(=NNC1CCCC1)C1CC[NH+](C)CC1 ZINC000814833044 586637693 /nfs/dbraw/zinc/63/76/93/586637693.db2.gz VLIDICWTPRWLHK-UHFFFAOYSA-N 1 0 223.364 2.236 20 30 BEEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@@H]1CC1(C)C ZINC000814886219 586643058 /nfs/dbraw/zinc/64/30/58/586643058.db2.gz VICAGROHSUEJKI-SDDRHHMPSA-N 1 0 248.374 2.268 20 30 BEEDRO C=CCCC(CCC)=NNC1=[NH+][C@H](C)CN1 ZINC000814897129 586645174 /nfs/dbraw/zinc/64/51/74/586645174.db2.gz FEXGLKWZHLXEST-SNVBAGLBSA-N 1 0 222.336 2.046 20 30 BEEDRO CC1(C)CC(=[NH+]NC2CC2)c2cc(N)ccc2O1 ZINC000814903173 586647238 /nfs/dbraw/zinc/64/72/38/586647238.db2.gz WBZUSKAPUXNZCO-UHFFFAOYSA-N 1 0 245.326 2.286 20 30 BEEDRO CC(=[NH+][N-]c1ncccc1C)c1ccc(N)nc1 ZINC000814911517 586649363 /nfs/dbraw/zinc/64/93/63/586649363.db2.gz LYSVHOFPZSYQLM-UHFFFAOYSA-N 1 0 241.298 2.203 20 30 BEEDRO CC[C@H](C)CON=C1CCCc2nc(N)ncc21 ZINC000814939491 586655412 /nfs/dbraw/zinc/65/54/12/586655412.db2.gz SBHHUVSQBFYTMH-VIFPVBQESA-N 1 0 248.330 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC000815044514 586664610 /nfs/dbraw/zinc/66/46/10/586664610.db2.gz CXGBDOSKMMQUHS-TZMCWYRMSA-N 1 0 244.342 2.212 20 30 BEEDRO C=CCC(F)(F)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000815295945 586676986 /nfs/dbraw/zinc/67/69/86/586676986.db2.gz WKMIGTLRAPSKJW-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC(F)(F)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000815596180 586688736 /nfs/dbraw/zinc/68/87/36/586688736.db2.gz MTWKEJIYBASOPW-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C ZINC000815652029 586690020 /nfs/dbraw/zinc/69/00/20/586690020.db2.gz LSEYDYLRFKNCCK-KBPBESRZSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H]1CC=C(C)CC1 ZINC000862551418 589220636 /nfs/dbraw/zinc/22/06/36/589220636.db2.gz USZIOIXEYVBTKY-STQMWFEESA-N 1 0 207.317 2.113 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC=C(C)CC1)[C@@H]1CCCO1 ZINC000816573430 586741543 /nfs/dbraw/zinc/74/15/43/586741543.db2.gz YCVYZHTWPHMAST-RDBSUJKOSA-N 1 0 219.328 2.256 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC=C(C)CC1)[C@H]1CCCO1 ZINC000816573427 586741839 /nfs/dbraw/zinc/74/18/39/586741839.db2.gz YCVYZHTWPHMAST-HZSPNIEDSA-N 1 0 219.328 2.256 20 30 BEEDRO COc1ccc(NNC=CC(F)(F)F)[nH+]c1 ZINC000817327841 586794806 /nfs/dbraw/zinc/79/48/06/586794806.db2.gz QXIOYNANRUWHOC-UHFFFAOYSA-N 1 0 233.193 2.440 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)cc1 ZINC000817412901 586801401 /nfs/dbraw/zinc/80/14/01/586801401.db2.gz QNUADDUAOGQTFL-BBRMVZONSA-N 1 0 243.350 2.118 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000817581257 586812707 /nfs/dbraw/zinc/81/27/07/586812707.db2.gz OGYVCCJAJDRRGD-LBPRGKRZSA-N 1 0 241.400 2.290 20 30 BEEDRO C=CC[C@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895305 586834532 /nfs/dbraw/zinc/83/45/32/586834532.db2.gz XQOFMNBQAMKYLR-YUELXQCFSA-N 1 0 245.370 2.429 20 30 BEEDRO C=C(Cl)CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000817944174 586845908 /nfs/dbraw/zinc/84/59/08/586845908.db2.gz YPSAQUMGAWYPJR-VIFPVBQESA-N 1 0 238.718 2.189 20 30 BEEDRO C#CCCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000819115404 586931066 /nfs/dbraw/zinc/93/10/66/586931066.db2.gz ANWDGURUTDGLPC-UHFFFAOYSA-N 1 0 230.311 2.018 20 30 BEEDRO C#CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000819116815 586931190 /nfs/dbraw/zinc/93/11/90/586931190.db2.gz ZSYLZOFRSYYXGF-UHFFFAOYSA-N 1 0 248.301 2.157 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819115700 586931288 /nfs/dbraw/zinc/93/12/88/586931288.db2.gz HNZLBPUQGGMTAB-CYBMUJFWSA-N 1 0 237.730 2.376 20 30 BEEDRO C#CC[C@H](Cc1ccccc1)[NH2+]CCC#N ZINC000819304024 586949262 /nfs/dbraw/zinc/94/92/62/586949262.db2.gz BIADBODVXSWRJO-CQSZACIVSA-N 1 0 212.296 2.124 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H](O)c2ccccc2)CCC1 ZINC000819377010 586959350 /nfs/dbraw/zinc/95/93/50/586959350.db2.gz IGYAAONGSDKAQY-CYBMUJFWSA-N 1 0 230.311 2.003 20 30 BEEDRO C[NH+](C)CCCOc1ccc(NCCC#N)cc1 ZINC000819439217 586964242 /nfs/dbraw/zinc/96/42/42/586964242.db2.gz QQWDDHAXUIJWMP-UHFFFAOYSA-N 1 0 247.342 2.343 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160354 589084103 /nfs/dbraw/zinc/08/41/03/589084103.db2.gz RSOXTBKXRDLBNE-VXGBXAGGSA-N 1 0 225.332 2.062 20 30 BEEDRO C[C@@H](CC#N)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821624202 587133138 /nfs/dbraw/zinc/13/31/38/587133138.db2.gz BNWZMNSKXUYRFO-NSHDSACASA-N 1 0 246.310 2.207 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2C[C@@]23CC[NH2+]C3)n1 ZINC000823247952 587211164 /nfs/dbraw/zinc/21/11/64/587211164.db2.gz MAVLWLSVOBVSDF-QMTHXVAHSA-N 1 0 247.342 2.390 20 30 BEEDRO C=CCCc1noc([C@@H](C(C)C)[C@@H](C)[NH3+])n1 ZINC000823263544 587212177 /nfs/dbraw/zinc/21/21/77/587212177.db2.gz JEARNHVIZYFHCD-KOLCDFICSA-N 1 0 223.320 2.275 20 30 BEEDRO C=CCOCC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000823607032 587232648 /nfs/dbraw/zinc/23/26/48/587232648.db2.gz XWSIZHAKJZOCJC-HNNXBMFYSA-N 1 0 249.354 2.029 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000823660085 587235049 /nfs/dbraw/zinc/23/50/49/587235049.db2.gz DYAYZFKLGDQYSK-CQSZACIVSA-N 1 0 233.355 2.291 20 30 BEEDRO Cn1nc(C2CC2)cc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000824187466 587259842 /nfs/dbraw/zinc/25/98/42/587259842.db2.gz HTOIHOYYOLNVSQ-PWSUYJOCSA-N 1 0 244.342 2.079 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000824364280 587267676 /nfs/dbraw/zinc/26/76/76/587267676.db2.gz YZRWHGXLSWGTTP-GFCCVEGCSA-N 1 0 245.322 2.349 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824690357 587282700 /nfs/dbraw/zinc/28/27/00/587282700.db2.gz AYRYCSFARYDTKT-RFGFWPKPSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(O)cccc1OC ZINC000824743479 587285372 /nfs/dbraw/zinc/28/53/72/587285372.db2.gz DHOKNEHRELDBPX-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(OC)c(C)c1 ZINC000824862438 587290966 /nfs/dbraw/zinc/29/09/66/587290966.db2.gz ZXQQNLBUAYKZSD-KGLIPLIRSA-N 1 0 247.338 2.437 20 30 BEEDRO C=CCC1([NH2+]Cc2cnn(C)n2)CCCCC1 ZINC000825024474 587298957 /nfs/dbraw/zinc/29/89/57/587298957.db2.gz PSYMBEJRQMBPBM-UHFFFAOYSA-N 1 0 234.347 2.184 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1 ZINC000825098775 587303830 /nfs/dbraw/zinc/30/38/30/587303830.db2.gz OEKDHIPXZALYQO-CQSZACIVSA-N 1 0 229.323 2.183 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(Cl)nc1 ZINC000825169174 587307388 /nfs/dbraw/zinc/30/73/88/587307388.db2.gz WXJZTIZMFHNMGB-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000825226162 587310071 /nfs/dbraw/zinc/31/00/71/587310071.db2.gz DYTPMGOZOBNMNC-SWLSCSKDSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000825226161 587310068 /nfs/dbraw/zinc/31/00/68/587310068.db2.gz DYTPMGOZOBNMNC-IUODEOHRSA-N 1 0 229.323 2.183 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CC(CF)(CF)C1 ZINC000825878397 587343342 /nfs/dbraw/zinc/34/33/42/587343342.db2.gz MNWPJHKXVMKDJE-VIFPVBQESA-N 1 0 201.260 2.076 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)COC)cc1 ZINC000825878345 587343535 /nfs/dbraw/zinc/34/35/35/587343535.db2.gz KBXCCLUJCCUJTP-STQMWFEESA-N 1 0 247.338 2.212 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)C(C)(C)C ZINC000825939836 587346621 /nfs/dbraw/zinc/34/66/21/587346621.db2.gz HUTQLADSKNQNHJ-AWEZNQCLSA-N 1 0 245.370 2.435 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CC1CC1)C(C)(C)C ZINC000825940218 587346700 /nfs/dbraw/zinc/34/67/00/587346700.db2.gz PWIGIKSOMQSRSM-AWEZNQCLSA-N 1 0 245.370 2.431 20 30 BEEDRO CCCCCCCCCNC(=O)[C@@H](C)C[NH3+] ZINC000826602215 587356339 /nfs/dbraw/zinc/35/63/39/587356339.db2.gz AVECZAVVZIPUEB-LBPRGKRZSA-N 1 0 228.380 2.448 20 30 BEEDRO C#CC1CCN(c2cc[nH+]c(CC)c2)CC1 ZINC000826710878 587359718 /nfs/dbraw/zinc/35/97/18/587359718.db2.gz SSGXNXUGASUTNU-UHFFFAOYSA-N 1 0 214.312 2.494 20 30 BEEDRO Cc1cccc(C[NH+]2CC(CC#N)C2)c1O ZINC000826991270 587367459 /nfs/dbraw/zinc/36/74/59/587367459.db2.gz YCHOXWBJCORZJX-UHFFFAOYSA-N 1 0 216.284 2.046 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)C1CCOCC1 ZINC000827555261 587387591 /nfs/dbraw/zinc/38/75/91/587387591.db2.gz QSWQMFDYZHHEJX-MHDGFBEUSA-N 1 0 221.344 2.049 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)C(C)C)C1CCOCC1 ZINC000827564435 587388393 /nfs/dbraw/zinc/38/83/93/587388393.db2.gz BNJXPMRUANDQHX-WCQYABFASA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC=CCC1)C1CCOCC1 ZINC000827565467 587388745 /nfs/dbraw/zinc/38/87/45/587388745.db2.gz MGRGENLXAWRPSZ-HIFRSBDPSA-N 1 0 233.355 2.361 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1occc1C)C1CCOCC1 ZINC000827569676 587388910 /nfs/dbraw/zinc/38/89/10/587388910.db2.gz CKLGSBUUWFVKAT-CYBMUJFWSA-N 1 0 233.311 2.106 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H](C)CC)C1CCOCC1 ZINC000827566344 587389097 /nfs/dbraw/zinc/38/90/97/587389097.db2.gz VFFOUOIFTDKZJP-BZPMIXESSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC(C)C)C1CCOCC1 ZINC000827566042 587389119 /nfs/dbraw/zinc/38/91/19/587389119.db2.gz RFOLXSXODROMGF-OCCSQVGLSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)o1)C1CCOCC1 ZINC000827571341 587389443 /nfs/dbraw/zinc/38/94/43/587389443.db2.gz ZGCAFZCNUYNYTB-AWEZNQCLSA-N 1 0 233.311 2.106 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)cc1 ZINC000827602898 587392101 /nfs/dbraw/zinc/39/21/01/587392101.db2.gz YDVJGTZIYMBLPA-JKSUJKDBSA-N 1 0 241.334 2.136 20 30 BEEDRO C#CCN(C[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC000828891519 587469048 /nfs/dbraw/zinc/46/90/48/587469048.db2.gz RDHNLWDJRZOBNU-HNNXBMFYSA-N 1 0 234.387 2.347 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000828903997 587470453 /nfs/dbraw/zinc/47/04/53/587470453.db2.gz ALOPXCISNSHOEF-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000829784738 587513611 /nfs/dbraw/zinc/51/36/11/587513611.db2.gz MPUGDVGZFQWEQB-AWEZNQCLSA-N 1 0 235.371 2.417 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2nc(C)no2)C1 ZINC000829779102 587515958 /nfs/dbraw/zinc/51/59/58/587515958.db2.gz MSPWILVPOOROEF-PWSUYJOCSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OCCC)C1 ZINC000829784900 587516301 /nfs/dbraw/zinc/51/63/01/587516301.db2.gz OBAWBBPJXLXTNY-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ncc(C)cn2)C1 ZINC000829810465 587518124 /nfs/dbraw/zinc/51/81/24/587518124.db2.gz QBYOJTYOYNZYMJ-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@@H](C)O2)C1 ZINC000829810218 587518242 /nfs/dbraw/zinc/51/82/42/587518242.db2.gz NANUPDQUTYCFMH-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC(OCC)OCC)C1 ZINC000829810466 587518822 /nfs/dbraw/zinc/51/88/22/587518822.db2.gz QCRIVRMENSOXAU-CYBMUJFWSA-N 1 0 239.359 2.121 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000829814921 587519035 /nfs/dbraw/zinc/51/90/35/587519035.db2.gz CENILEDVHQEITM-ZDUSSCGKSA-N 1 0 233.355 2.481 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](CC)OC)C1 ZINC000829816032 587519454 /nfs/dbraw/zinc/51/94/54/587519454.db2.gz YESPHBNBCVFTEL-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC2(CC(=O)OC)CC2)C1 ZINC000829815448 587519470 /nfs/dbraw/zinc/51/94/70/587519470.db2.gz LXZXUASCWFOBRG-CYBMUJFWSA-N 1 0 249.354 2.065 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000829815471 587519817 /nfs/dbraw/zinc/51/98/17/587519817.db2.gz MKFNQKWYIIYDCX-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCOCC(C)C)C1 ZINC000829815488 587519938 /nfs/dbraw/zinc/51/99/38/587519938.db2.gz MRGIJVGPVDCRNW-AWEZNQCLSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC[NH2+]C1(c2ccccc2F)CCC1 ZINC000829905158 587527811 /nfs/dbraw/zinc/52/78/11/587527811.db2.gz PMWYRIIRRUYUOF-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000830038294 587533394 /nfs/dbraw/zinc/53/33/94/587533394.db2.gz AUCNDAJCNAXKLR-GHMZBOCLSA-N 1 0 244.766 2.153 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000830345411 587545426 /nfs/dbraw/zinc/54/54/26/587545426.db2.gz BXPCMNNXDDGLJN-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC1CC[NH+](CCOC(C)(C)C)CC1 ZINC000830321697 587545693 /nfs/dbraw/zinc/54/56/93/587545693.db2.gz XVNBLLQFOFOUTK-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000830335152 587546369 /nfs/dbraw/zinc/54/63/69/587546369.db2.gz RYNGOFKVFDTFBI-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000830350391 587546757 /nfs/dbraw/zinc/54/67/57/587546757.db2.gz BFQPBYAIFXWNQG-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000830396841 587549340 /nfs/dbraw/zinc/54/93/40/587549340.db2.gz VTHIOEQKDZZUMG-CVEARBPZSA-N 1 0 243.350 2.078 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC#N)[C@@H]1SC ZINC000830457073 587551894 /nfs/dbraw/zinc/55/18/94/587551894.db2.gz XVNHESMRPSYVDP-KKOKHZNYSA-N 1 0 242.388 2.177 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000830734512 587565716 /nfs/dbraw/zinc/56/57/16/587565716.db2.gz KNMZSDZKCQRQRM-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831010602 587582394 /nfs/dbraw/zinc/58/23/94/587582394.db2.gz YABZSVAXINBILT-MRLBHPIUSA-N 1 0 246.354 2.059 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000831359387 587600885 /nfs/dbraw/zinc/60/08/85/587600885.db2.gz VRBMMXXAZNZUES-VXGBXAGGSA-N 1 0 209.333 2.191 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOc1ccc(C)cc1 ZINC000831678883 587627580 /nfs/dbraw/zinc/62/75/80/587627580.db2.gz KDSIYSOUKLZLQP-CABCVRRESA-N 1 0 247.338 2.307 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000831830606 587633946 /nfs/dbraw/zinc/63/39/46/587633946.db2.gz XWKISKOQAKUWFA-KFWWJZLASA-N 1 0 247.338 2.043 20 30 BEEDRO COCC#CC[NH+]1CCCCCCCC1 ZINC000831937343 587637694 /nfs/dbraw/zinc/63/76/94/587637694.db2.gz PUEUQTQKHKPIRO-UHFFFAOYSA-N 1 0 209.333 2.292 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000832093534 587644748 /nfs/dbraw/zinc/64/47/48/587644748.db2.gz GCKZWMZEVGLJAJ-LBPRGKRZSA-N 1 0 211.349 2.129 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1COC[C@H]1OCC ZINC000832445821 587660415 /nfs/dbraw/zinc/66/04/15/587660415.db2.gz JVDBLKNCPCBSIA-CHWSQXEVSA-N 1 0 229.364 2.350 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000832510784 587664521 /nfs/dbraw/zinc/66/45/21/587664521.db2.gz FDYITYWDXZCYCQ-GFCCVEGCSA-N 1 0 209.358 2.229 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1[C@@H](C)CCC1(C)C ZINC000832565225 587666671 /nfs/dbraw/zinc/66/66/71/587666671.db2.gz POLGJFVBDOQHCE-WDEREUQCSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1[C@H](C)CCC1(C)C ZINC000832565222 587666948 /nfs/dbraw/zinc/66/69/48/587666948.db2.gz POLGJFVBDOQHCE-GHMZBOCLSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CCCCC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000832606628 587669164 /nfs/dbraw/zinc/66/91/64/587669164.db2.gz KZAJCXYLOOMYTL-UHFFFAOYSA-N 1 0 248.326 2.319 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](C)[NH+](C)C ZINC000832710773 587678700 /nfs/dbraw/zinc/67/87/00/587678700.db2.gz NTPYDMLPEADYDF-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000832718227 587679219 /nfs/dbraw/zinc/67/92/19/587679219.db2.gz CTEPGOVAGKUWQP-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834701781 587764717 /nfs/dbraw/zinc/76/47/17/587764717.db2.gz GCARNDOROOQFAK-YPMHNXCESA-N 1 0 247.338 2.154 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C(C)(C)CC ZINC000834761996 587766151 /nfs/dbraw/zinc/76/61/51/587766151.db2.gz WXRBOUATQUPTCZ-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](CC)c1ccncc1)[C@H]1CCCO1 ZINC000834769186 587766463 /nfs/dbraw/zinc/76/64/63/587766463.db2.gz JGJPBVWLQSKHSO-SOUVJXGZSA-N 1 0 244.338 2.303 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)C(C)(C)CC ZINC000834814336 587767382 /nfs/dbraw/zinc/76/73/82/587767382.db2.gz IJVBDYLILMIDCJ-ZDUSSCGKSA-N 1 0 224.392 2.356 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C1CC1)C1CCCC1 ZINC000834814399 587767387 /nfs/dbraw/zinc/76/73/87/587767387.db2.gz KFDCGYDADYZLQV-INIZCTEOSA-N 1 0 248.414 2.500 20 30 BEEDRO Cc1cc(C)[nH+]c(NNC=C2CC2(F)F)n1 ZINC000834913304 587770623 /nfs/dbraw/zinc/77/06/23/587770623.db2.gz WVTKCYIOWLXSAV-QMMMGPOBSA-N 1 0 226.230 2.146 20 30 BEEDRO Cc1cc[nH+]c(NNC=C2CC2(F)F)c1 ZINC000834965080 587773093 /nfs/dbraw/zinc/77/30/93/587773093.db2.gz UXXNKLPIJMSHGU-QMMMGPOBSA-N 1 0 211.215 2.443 20 30 BEEDRO CC(C)O[NH+]=C1CCc2cc(N)ccc21 ZINC000835002047 587777051 /nfs/dbraw/zinc/77/70/51/587777051.db2.gz LRYVUGMRYNBODA-UHFFFAOYSA-N 1 0 204.273 2.344 20 30 BEEDRO CC(=[NH+]N[C@@H]1CCOC1(C)C)c1ccc(N)cc1 ZINC000835013663 587777961 /nfs/dbraw/zinc/77/79/61/587777961.db2.gz GEVRZFOKHANZGO-CYBMUJFWSA-N 1 0 247.342 2.150 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1(CC)CCCCC1 ZINC000836872552 587840591 /nfs/dbraw/zinc/84/05/91/587840591.db2.gz UDAKJDSZQFWSSW-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C[NH+](C)Cc1ccccc1NC(=O)C#CC1CC1 ZINC000837339143 587867611 /nfs/dbraw/zinc/86/76/11/587867611.db2.gz UITOUQQPZQGHSY-UHFFFAOYSA-N 1 0 242.322 2.100 20 30 BEEDRO Cc1ccc(NC(=O)C#CC2CC2)c(C)n1 ZINC000837464639 587875062 /nfs/dbraw/zinc/87/50/62/587875062.db2.gz YWFNYWDNABVFDH-UHFFFAOYSA-N 1 0 214.268 2.050 20 30 BEEDRO C=CC(C)(C)C(=O)OCCC[NH+](CC)CC ZINC000837861786 587900802 /nfs/dbraw/zinc/90/08/02/587900802.db2.gz HIXPCUKMMCFOJV-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C(C[NH+]1CCCCC1)NN=C1CCC[C@@H]2C[C@H]12 ZINC000841619143 587960491 /nfs/dbraw/zinc/96/04/91/587960491.db2.gz KCYVJQHAQVYBQV-OLZOCXBDSA-N 1 0 235.375 2.238 20 30 BEEDRO COc1cccc(C[NH2+]CC2(C#N)CCC2)c1O ZINC000841898259 587982541 /nfs/dbraw/zinc/98/25/41/587982541.db2.gz LFWIUPNNYNIDPF-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000841902566 587982562 /nfs/dbraw/zinc/98/25/62/587982562.db2.gz DUZXLVWVNPOIPR-RYUDHWBXSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCCCCCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000841902564 587982837 /nfs/dbraw/zinc/98/28/37/587982837.db2.gz DUZXLVWVNPOIPR-NWDGAFQWSA-N 1 0 241.379 2.158 20 30 BEEDRO CC[C@H]([NH2+]CCO[C@@H](C)C#N)[C@H]1CC1(C)C ZINC000842163393 588005481 /nfs/dbraw/zinc/00/54/81/588005481.db2.gz LYYYRLOXPXZEGX-TUAOUCFPSA-N 1 0 224.348 2.329 20 30 BEEDRO CCCO[NH+]=Cc1ccc(N(C)CC)nc1 ZINC000842555257 588042094 /nfs/dbraw/zinc/04/20/94/588042094.db2.gz VLOIDLCUWUZGAG-UHFFFAOYSA-N 1 0 221.304 2.298 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccncc1 ZINC000842681921 588052303 /nfs/dbraw/zinc/05/23/03/588052303.db2.gz VBGQWTQJTZKQAH-XBFCOCLRSA-N 1 0 232.327 2.466 20 30 BEEDRO C[C@H](C[C@@H](O)c1cccs1)[NH2+]CCC#N ZINC000843108345 588081777 /nfs/dbraw/zinc/08/17/77/588081777.db2.gz SEVDLURAGNATBD-NXEZZACHSA-N 1 0 224.329 2.063 20 30 BEEDRO C=CCCc1noc(C[C@H](C)[C@H]2CCC[NH2+]C2)n1 ZINC000843237746 588094860 /nfs/dbraw/zinc/09/48/60/588094860.db2.gz FKVPHTKDEDGYBT-RYUDHWBXSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCC(C)(C)c1noc(CCC[NH2+]C)n1 ZINC000843234820 588095207 /nfs/dbraw/zinc/09/52/07/588095207.db2.gz JPYVQQZHEGDCOK-UHFFFAOYSA-N 1 0 223.320 2.075 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@]2(F)CC[NH2+]C2)n1 ZINC000843235601 588095229 /nfs/dbraw/zinc/09/52/29/588095229.db2.gz SNQWCHLYUNXPLZ-GFCCVEGCSA-N 1 0 239.294 2.081 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000843423917 588107732 /nfs/dbraw/zinc/10/77/32/588107732.db2.gz LNPPZBCXERZNLP-ZDUSSCGKSA-N 1 0 216.328 2.260 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000843423877 588107742 /nfs/dbraw/zinc/10/77/42/588107742.db2.gz LGLGSOFYZZXFEF-ZDUSSCGKSA-N 1 0 216.328 2.260 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000843422580 588107984 /nfs/dbraw/zinc/10/79/84/588107984.db2.gz GQXQWOREWIRXDC-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000843422597 588108107 /nfs/dbraw/zinc/10/81/07/588108107.db2.gz GXECLYDZHNNNPJ-CYBMUJFWSA-N 1 0 243.354 2.274 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)N(CC)OC ZINC000843430122 588108509 /nfs/dbraw/zinc/10/85/09/588108509.db2.gz GBYXOHQOLIPVDG-GFCCVEGCSA-N 1 0 242.363 2.121 20 30 BEEDRO C=CCCCC(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000843992685 588154122 /nfs/dbraw/zinc/15/41/22/588154122.db2.gz UFXCBWGHZLOSSA-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436562 588192997 /nfs/dbraw/zinc/19/29/97/588192997.db2.gz HGLIREZWXJKKMK-RYUDHWBXSA-N 1 0 245.313 2.435 20 30 BEEDRO CCC1(CC)CCC(N=NC(N)=[NH2+])CC1 ZINC000844578034 588204320 /nfs/dbraw/zinc/20/43/20/588204320.db2.gz ZUTKHEXUWJDUBX-UHFFFAOYSA-N 1 0 210.325 2.206 20 30 BEEDRO C=C[C@H](C)ON=C1C[N@@H+](C2CC2)C[C@H]1C ZINC000844621326 588209488 /nfs/dbraw/zinc/20/94/88/588209488.db2.gz GFLQVUXOCARXCO-ZJUUUORDSA-N 1 0 208.305 2.048 20 30 BEEDRO C=C[C@@H](C)ON=C1C[N@@H+](C2CC2)C[C@@H]1C ZINC000844621324 588209562 /nfs/dbraw/zinc/20/95/62/588209562.db2.gz GFLQVUXOCARXCO-VHSXEESVSA-N 1 0 208.305 2.048 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc2cnccc2o1 ZINC000845904550 588249930 /nfs/dbraw/zinc/24/99/30/588249930.db2.gz DUXWMTAKJGLDIV-UHFFFAOYSA-N 1 0 214.268 2.283 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000845948336 588251250 /nfs/dbraw/zinc/25/12/50/588251250.db2.gz UQBOZGXGEJYISA-NEPJUHHUSA-N 1 0 219.332 2.255 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](COC)CC(C)(C)C ZINC000845972458 588252296 /nfs/dbraw/zinc/25/22/96/588252296.db2.gz OWDICTRALQCGFR-NEPJUHHUSA-N 1 0 211.349 2.439 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCc2cnn(C)n2)C1 ZINC000845976403 588252369 /nfs/dbraw/zinc/25/23/69/588252369.db2.gz JMQVTZMSMBBZBZ-QWHCGFSZSA-N 1 0 248.374 2.082 20 30 BEEDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010265 588253286 /nfs/dbraw/zinc/25/32/86/588253286.db2.gz HUVBDCKIJQXEME-JSGCOSHPSA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CC1(C#N)CCCC1 ZINC000846011783 588253446 /nfs/dbraw/zinc/25/34/46/588253446.db2.gz ZEUKOBGAYDKOMD-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]1C[C@H](NCC2(C#N)CCCC2)C[N@@H+]1C1CC1 ZINC000846011020 588253520 /nfs/dbraw/zinc/25/35/20/588253520.db2.gz QNGQGZAEJQPZDJ-STQMWFEESA-N 1 0 247.386 2.285 20 30 BEEDRO C=CC[N@H+](Cc1ccc2nonc2c1)C1CC1 ZINC000846842869 588292590 /nfs/dbraw/zinc/29/25/90/588292590.db2.gz WQBNWMNLRFKGSE-UHFFFAOYSA-N 1 0 229.283 2.373 20 30 BEEDRO C=CCC[N@@H+](C)CC1(Br)CC1 ZINC000846868964 588294574 /nfs/dbraw/zinc/29/45/74/588294574.db2.gz RGQLRRCXVBBZIK-UHFFFAOYSA-N 1 0 218.138 2.422 20 30 BEEDRO C#CC1CC[NH+](CC2(Br)CC2)CC1 ZINC000847015108 588301648 /nfs/dbraw/zinc/30/16/48/588301648.db2.gz YKXFTBBLKBPEQF-UHFFFAOYSA-N 1 0 242.160 2.259 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)CC2CCCC2)C1 ZINC000847019117 588301778 /nfs/dbraw/zinc/30/17/78/588301778.db2.gz OUXQYLCOSLQRJE-ZFWWWQNUSA-N 1 0 235.371 2.273 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000847019540 588302432 /nfs/dbraw/zinc/30/24/32/588302432.db2.gz RFTLPTXKKGHJMP-LBPRGKRZSA-N 1 0 244.294 2.440 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000847021384 588302568 /nfs/dbraw/zinc/30/25/68/588302568.db2.gz LAZKPGYBVCUUIX-CYBMUJFWSA-N 1 0 229.323 2.024 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000847022092 588303025 /nfs/dbraw/zinc/30/30/25/588303025.db2.gz SCEDHSWASOBQCC-HNNXBMFYSA-N 1 0 234.387 2.208 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2C)C1 ZINC000847023233 588303343 /nfs/dbraw/zinc/30/33/43/588303343.db2.gz BMFJSUBAGXTKMG-ZBFHGGJFSA-N 1 0 243.350 2.374 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000847024711 588303740 /nfs/dbraw/zinc/30/37/40/588303740.db2.gz RRFFECDEFSXBJH-SWLSCSKDSA-N 1 0 247.313 2.204 20 30 BEEDRO C#C[C@H]1CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000847033635 588304380 /nfs/dbraw/zinc/30/43/80/588304380.db2.gz FTYIELJDSHNLSI-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000847047759 588304893 /nfs/dbraw/zinc/30/48/93/588304893.db2.gz YGRMJCYSHATQRF-CYBMUJFWSA-N 1 0 242.322 2.300 20 30 BEEDRO C=C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000847565535 588317076 /nfs/dbraw/zinc/31/70/76/588317076.db2.gz ZBSJETCXDGMDEZ-GFCCVEGCSA-N 1 0 246.354 2.095 20 30 BEEDRO C=CCC(C)(C)C(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847817718 588332086 /nfs/dbraw/zinc/33/20/86/588332086.db2.gz BSBYJNNMQXHWCL-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847821601 588334309 /nfs/dbraw/zinc/33/43/09/588334309.db2.gz JGAAOEIEFNZFPH-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO C[C@@H](COC(=O)CCCC#N)[NH+]1CCCCC1 ZINC000847964127 588345862 /nfs/dbraw/zinc/34/58/62/588345862.db2.gz WSEBZWROAWNCBS-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO C=CCON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848412182 588380685 /nfs/dbraw/zinc/38/06/85/588380685.db2.gz KSSOKZBYWAMFKN-GFCCVEGCSA-N 1 0 208.305 2.193 20 30 BEEDRO CSCCON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848411442 588380698 /nfs/dbraw/zinc/38/06/98/588380698.db2.gz XIBBCRGUWCDKIE-LBPRGKRZSA-N 1 0 242.388 2.370 20 30 BEEDRO CCCON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848412831 588380882 /nfs/dbraw/zinc/38/08/82/588380882.db2.gz DAJYGMGTILBRBX-GFCCVEGCSA-N 1 0 210.321 2.417 20 30 BEEDRO CCCCCCCC(=O)NCC[NH2+]C1CC1 ZINC000107605219 588386590 /nfs/dbraw/zinc/38/65/90/588386590.db2.gz WBDSNPRNGBRFMK-UHFFFAOYSA-N 1 0 226.364 2.215 20 30 BEEDRO Cc1cc(OCCO[C@@H](C)C#N)c(C)c(C)[nH+]1 ZINC000848515467 588388920 /nfs/dbraw/zinc/38/89/20/588388920.db2.gz NJGVXZOYXLMNEQ-JTQLQIEISA-N 1 0 234.299 2.314 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnc(Cl)n1C ZINC000848534116 588394008 /nfs/dbraw/zinc/39/40/08/588394008.db2.gz PHBQSNWMGZPWOZ-UHFFFAOYSA-N 1 0 245.779 2.082 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000848557992 588397078 /nfs/dbraw/zinc/39/70/78/588397078.db2.gz IXXLQIOLWXSABG-ZIAGYGMSSA-N 1 0 244.338 2.101 20 30 BEEDRO C=CCCc1noc([C@@H]2C[C@]23CCC[NH2+]C3)n1 ZINC000848629872 588402800 /nfs/dbraw/zinc/40/28/00/588402800.db2.gz GLYHAACJABUKIG-GWCFXTLKSA-N 1 0 233.315 2.045 20 30 BEEDRO C=C(Br)C[N@H+](C)C[C@H]1CCCOC1 ZINC000107800761 588409743 /nfs/dbraw/zinc/40/97/43/588409743.db2.gz BOXJJFURVULVCH-SNVBAGLBSA-N 1 0 248.164 2.253 20 30 BEEDRO C#C[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000848750697 588411144 /nfs/dbraw/zinc/41/11/44/588411144.db2.gz IYMHKVIZTHEJDS-LBPRGKRZSA-N 1 0 200.285 2.240 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(CC)c1O ZINC000848883034 588416930 /nfs/dbraw/zinc/41/69/30/588416930.db2.gz HOCPNCIZZCCOIT-UHFFFAOYSA-N 1 0 217.312 2.410 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc(Cl)n1C ZINC000848888248 588417909 /nfs/dbraw/zinc/41/79/09/588417909.db2.gz PWCYMLVWSMKMME-UHFFFAOYSA-N 1 0 227.739 2.472 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848898858 588418073 /nfs/dbraw/zinc/41/80/73/588418073.db2.gz HZOIJHKXEXVUIT-DMEOUFDRSA-N 1 0 235.283 2.130 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(Cl)n1C)C(C)(C)C ZINC000848912228 588419993 /nfs/dbraw/zinc/41/99/93/588419993.db2.gz OXVXAUWQINYBPH-SNVBAGLBSA-N 1 0 239.750 2.211 20 30 BEEDRO CNC(NCCc1ccc(C(C)C)cc1)=[NH+]C ZINC000848981639 588423632 /nfs/dbraw/zinc/42/36/32/588423632.db2.gz IATGDXMMJHUZHF-UHFFFAOYSA-N 1 0 233.359 2.147 20 30 BEEDRO C[C@H]1C[C@H]1c1ccc(C[NH+]=C(N(C)C)N(C)C)o1 ZINC000848986074 588425933 /nfs/dbraw/zinc/42/59/33/588425933.db2.gz WEZLFWOAGMSWJP-CMPLNLGQSA-N 1 0 249.358 2.382 20 30 BEEDRO CN1CC[NH+]=C1NCCCCC(C)(C)C ZINC000849003110 588431229 /nfs/dbraw/zinc/43/12/29/588431229.db2.gz HEXMODHJRMDGQN-UHFFFAOYSA-N 1 0 211.353 2.094 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCCCCc2ccccc2)N1 ZINC000849001950 588431314 /nfs/dbraw/zinc/43/13/14/588431314.db2.gz CRFZPMWSYVTPHZ-ZDUSSCGKSA-N 1 0 245.370 2.337 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NC[C@H](C)C#N)c1 ZINC000849003893 588431812 /nfs/dbraw/zinc/43/18/12/588431812.db2.gz NDUZJTRDXTXCOS-SNVBAGLBSA-N 1 0 216.288 2.091 20 30 BEEDRO C=CCNC(=[NH2+])NCCc1c[nH]c2ccccc12 ZINC000849006968 588433088 /nfs/dbraw/zinc/43/30/88/588433088.db2.gz NYEBWUBTGRFTEV-UHFFFAOYSA-N 1 0 242.326 2.010 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCCCC2CCCC2)N1 ZINC000849009139 588434295 /nfs/dbraw/zinc/43/42/95/588434295.db2.gz GCNQMOMZWNXTND-NSHDSACASA-N 1 0 223.364 2.284 20 30 BEEDRO CN1CC[NH+]=C1NCCCCC1CCCC1 ZINC000849009100 588434503 /nfs/dbraw/zinc/43/45/03/588434503.db2.gz BMOLRWGFUNHLAU-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](C)Oc1ccccc1C ZINC000849010354 588434813 /nfs/dbraw/zinc/43/48/13/588434813.db2.gz LBHQNZFDEQCUNX-LBPRGKRZSA-N 1 0 247.342 2.062 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(OC)cc1C ZINC000849013301 588436011 /nfs/dbraw/zinc/43/60/11/588436011.db2.gz BYLMZYCLAMMBGB-UHFFFAOYSA-N 1 0 247.342 2.194 20 30 BEEDRO C=CCNC(=[NH2+])NCC[C@H](OC)C(CC)CC ZINC000849014243 588436114 /nfs/dbraw/zinc/43/61/14/588436114.db2.gz QYJBSIPUOTUCAM-LBPRGKRZSA-N 1 0 241.379 2.128 20 30 BEEDRO C=CC[C@H](CO)CNC(=[NH2+])Nc1cccc(C)c1 ZINC000849015709 588436779 /nfs/dbraw/zinc/43/67/79/588436779.db2.gz LROTVRIXZKYGLT-LBPRGKRZSA-N 1 0 247.342 2.116 20 30 BEEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)C#N)cc1 ZINC000849017405 588437481 /nfs/dbraw/zinc/43/74/81/588437481.db2.gz XBCIKRVTAAJALA-UHFFFAOYSA-N 1 0 246.314 2.181 20 30 BEEDRO C[C@H](CCNC1=[NH+]C[C@@H](C)N1)CC(C)(C)C ZINC000849021144 588438754 /nfs/dbraw/zinc/43/87/54/588438754.db2.gz UHCOELZSZMYFGO-GHMZBOCLSA-N 1 0 225.380 2.386 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1CC[C@H](C)C1 ZINC000849025187 588440350 /nfs/dbraw/zinc/44/03/50/588440350.db2.gz SGLQAICFNKWAFV-NWDGAFQWSA-N 1 0 249.358 2.381 20 30 BEEDRO C=CCOc1ccc(CNC(=[NH2+])NC(C)C)cc1 ZINC000849026712 588440854 /nfs/dbraw/zinc/44/08/54/588440854.db2.gz FRVFRJMSLNBHGU-UHFFFAOYSA-N 1 0 247.342 2.274 20 30 BEEDRO CNC(NCCc1cc2ccccc2s1)=[NH+]C ZINC000849031279 588442846 /nfs/dbraw/zinc/44/28/46/588442846.db2.gz DZDWXULSBZBYLQ-UHFFFAOYSA-N 1 0 247.367 2.239 20 30 BEEDRO C=CCC(C)(C)C[NH+]=C(N(C)C)N(C)C ZINC000849031146 588442893 /nfs/dbraw/zinc/44/28/93/588442893.db2.gz VYCQCVUWFOWUIO-UHFFFAOYSA-N 1 0 211.353 2.068 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCCC1(C)C)NC1CC1 ZINC000849032546 588443486 /nfs/dbraw/zinc/44/34/86/588443486.db2.gz LGUZMPOBAVLGOM-JTQLQIEISA-N 1 0 223.364 2.140 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCCCC1(F)F)NC1CC1 ZINC000849032354 588443558 /nfs/dbraw/zinc/44/35/58/588443558.db2.gz OQPYVAOJHLZWKQ-VIFPVBQESA-N 1 0 245.317 2.139 20 30 BEEDRO C=C(C)CCNC(=[NH2+])NCCc1ccccc1 ZINC000849036274 588445175 /nfs/dbraw/zinc/44/51/75/588445175.db2.gz MTCCGVDHEMMFDS-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(C#N)c(F)c1 ZINC000849038653 588446195 /nfs/dbraw/zinc/44/61/95/588446195.db2.gz WUXPPDUXLABUHW-UHFFFAOYSA-N 1 0 248.305 2.064 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@@H](C)CC)c1ccccc1 ZINC000849045264 588449374 /nfs/dbraw/zinc/44/93/74/588449374.db2.gz HARAGCMGEGHZAG-AAEUAGOBSA-N 1 0 229.327 2.273 20 30 BEEDRO C[NH+]=C(NC[C@H]1CC2CCC1CC2)NC1CC1 ZINC000849044775 588449381 /nfs/dbraw/zinc/44/93/81/588449381.db2.gz FVLQICOKLCZXNQ-HTAVTVPLSA-N 1 0 235.375 2.140 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N[C@H](C)CC)c1ccccc1 ZINC000849045265 588449614 /nfs/dbraw/zinc/44/96/14/588449614.db2.gz HARAGCMGEGHZAG-DGCLKSJQSA-N 1 0 229.327 2.273 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000849046206 588449820 /nfs/dbraw/zinc/44/98/20/588449820.db2.gz OIWOLJFFVJWAKI-PHIMTYICSA-N 1 0 239.363 2.023 20 30 BEEDRO N#CC1(CNC(=[NH2+])NC2CCCC2)CCCC1 ZINC000849047308 588450862 /nfs/dbraw/zinc/45/08/62/588450862.db2.gz UOGRGJYVGHUFQR-UHFFFAOYSA-N 1 0 234.347 2.127 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2CCCOC2)CCOCC1 ZINC000850369248 588541009 /nfs/dbraw/zinc/54/10/09/588541009.db2.gz SADCBMHCHYKESI-CYBMUJFWSA-N 1 0 239.359 2.128 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000850369199 588541170 /nfs/dbraw/zinc/54/11/70/588541170.db2.gz GOOGLFLYPZSOAT-HNNXBMFYSA-N 1 0 241.334 2.469 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ncccn2)C1 ZINC000850394016 588543621 /nfs/dbraw/zinc/54/36/21/588543621.db2.gz IVKNTHABDCMWAX-NEPJUHHUSA-N 1 0 217.316 2.311 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CSCCF ZINC000850443212 588547095 /nfs/dbraw/zinc/54/70/95/588547095.db2.gz KXKXMDJPSMNBNP-MRVPVSSYSA-N 1 0 211.733 2.420 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000850459922 588547870 /nfs/dbraw/zinc/54/78/70/588547870.db2.gz KEGANIKTQUKGEK-KGLIPLIRSA-N 1 0 221.344 2.361 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCSCC1)[C@@H]1CCCO1 ZINC000850461994 588548580 /nfs/dbraw/zinc/54/85/80/588548580.db2.gz NSNUPIKGBJXYEN-AVGNSLFASA-N 1 0 239.384 2.043 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000850473289 588548807 /nfs/dbraw/zinc/54/88/07/588548807.db2.gz WJDKLNIRSKQYTG-HNNXBMFYSA-N 1 0 241.334 2.469 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](O)c3ccccc32)C1 ZINC000850527202 588557372 /nfs/dbraw/zinc/55/73/72/588557372.db2.gz VCYYQYFCFNMMAO-FDRIWYBQSA-N 1 0 242.322 2.447 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2SCCS2)C1 ZINC000850568655 588561222 /nfs/dbraw/zinc/56/12/22/588561222.db2.gz DXFULTLXJXXYHC-ZJUUUORDSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H]1CCC1(C)C ZINC000850826486 588569345 /nfs/dbraw/zinc/56/93/45/588569345.db2.gz MTZWYJXDWKUYGL-STQMWFEESA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H]1CCC1(C)C ZINC000850826485 588569527 /nfs/dbraw/zinc/56/95/27/588569527.db2.gz MTZWYJXDWKUYGL-QWHCGFSZSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)c1ccccn1 ZINC000851721034 588617397 /nfs/dbraw/zinc/61/73/97/588617397.db2.gz ZJKLFULQRKURAZ-CYBMUJFWSA-N 1 0 220.316 2.013 20 30 BEEDRO C#CCOCC[NH+](CC(C)C)CC(C)C ZINC000851724636 588617540 /nfs/dbraw/zinc/61/75/40/588617540.db2.gz CMAOOWFMMAAYHC-UHFFFAOYSA-N 1 0 211.349 2.250 20 30 BEEDRO C#CCOCC[N@@H+](CC)C1CCCCC1 ZINC000851729639 588619199 /nfs/dbraw/zinc/61/91/99/588619199.db2.gz PKLAOLMHYRFHAO-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000851739153 588620923 /nfs/dbraw/zinc/62/09/23/588620923.db2.gz DITHINIKLHCUHQ-OAHLLOKOSA-N 1 0 229.323 2.126 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)[C@@H]1CC[C@@H](OC)C1 ZINC000851741207 588621408 /nfs/dbraw/zinc/62/14/08/588621408.db2.gz BRVHXTROZMMSBP-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCOCC[NH+]1CCC(C)(CC)CC1 ZINC000851745376 588621648 /nfs/dbraw/zinc/62/16/48/588621648.db2.gz DBNYUBXUETVGGP-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@H+]1CCc2c(C)cccc2C1 ZINC000851752957 588623607 /nfs/dbraw/zinc/62/36/07/588623607.db2.gz POMWTEUZHCYSHQ-UHFFFAOYSA-N 1 0 229.323 2.003 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@H]1C(C)C ZINC000851776466 588624891 /nfs/dbraw/zinc/62/48/91/588624891.db2.gz RBBUFZWGHPELHN-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+]1CCCC[C@@H]1C(C)C ZINC000851776465 588624970 /nfs/dbraw/zinc/62/49/70/588624970.db2.gz RBBUFZWGHPELHN-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@H+]1Cc2ccccc2C[C@H]1C ZINC000851783020 588627695 /nfs/dbraw/zinc/62/76/95/588627695.db2.gz HCHICBWDBROLCO-CYBMUJFWSA-N 1 0 229.323 2.083 20 30 BEEDRO C#CCOCC[NH+]1CCC(C(C)C)CC1 ZINC000851785048 588628455 /nfs/dbraw/zinc/62/84/55/588628455.db2.gz NNHRMHNSTZLQCK-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C ZINC000851786169 588628581 /nfs/dbraw/zinc/62/85/81/588628581.db2.gz QZGJOZFGSKUUKS-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H](CC)CC(F)F ZINC000851793248 588629306 /nfs/dbraw/zinc/62/93/06/588629306.db2.gz ATNKXJBIUAMFRW-NSHDSACASA-N 1 0 213.271 2.236 20 30 BEEDRO C#CCOCC[N@H+](CCC#N)CC(CC)CC ZINC000851797271 588629860 /nfs/dbraw/zinc/62/98/60/588629860.db2.gz JQKBYZDCHMBSDN-UHFFFAOYSA-N 1 0 236.359 2.288 20 30 BEEDRO C#CCOCC[N@@H+](C(C)C)C1CCCC1 ZINC000851835587 588634043 /nfs/dbraw/zinc/63/40/43/588634043.db2.gz AVUNCFOTOCUCGT-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1ccccc1OC ZINC000851838667 588634348 /nfs/dbraw/zinc/63/43/48/588634348.db2.gz NPAJLBGQKOXMNE-UHFFFAOYSA-N 1 0 247.338 2.170 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1COC(C)(C)O1)C1CC1 ZINC000851890689 588641063 /nfs/dbraw/zinc/64/10/63/588641063.db2.gz DSJIAHPGGCBLGX-GFCCVEGCSA-N 1 0 225.332 2.178 20 30 BEEDRO C#CC[C@H]([NH2+]CCC(OC)OC)c1ccccc1 ZINC000851902903 588641973 /nfs/dbraw/zinc/64/19/73/588641973.db2.gz UNMGFZVUVPTCBF-AWEZNQCLSA-N 1 0 247.338 2.350 20 30 BEEDRO CO[C@H]1CC[C@H]([NH+]2CCC(CC#N)CC2)C1 ZINC000851918765 588643452 /nfs/dbraw/zinc/64/34/52/588643452.db2.gz CZXSNMCCIRLEOC-STQMWFEESA-N 1 0 222.332 2.180 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000851923926 588644279 /nfs/dbraw/zinc/64/42/79/588644279.db2.gz KNZKADQYFINKEC-INIZCTEOSA-N 1 0 243.350 2.434 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000851925508 588644639 /nfs/dbraw/zinc/64/46/39/588644639.db2.gz XBGFBEGVCDNTNC-INIZCTEOSA-N 1 0 243.350 2.434 20 30 BEEDRO C#C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCO1 ZINC000851949813 588647017 /nfs/dbraw/zinc/64/70/17/588647017.db2.gz JTGPNEBPRDINGQ-KBPBESRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCCO1 ZINC000851949753 588647100 /nfs/dbraw/zinc/64/71/00/588647100.db2.gz ITGSBLCQBLIFEG-NIFZNCRKSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](CC)CC(F)F)[C@H]1CCCO1 ZINC000851951486 588647548 /nfs/dbraw/zinc/64/75/48/588647548.db2.gz XHBFSJDBLGVKGZ-SDDRHHMPSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCCC[C@@H]1C ZINC000851966705 588648775 /nfs/dbraw/zinc/64/87/75/588648775.db2.gz RGNUETDOJYQWJP-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC(F)(F)F)C(C)C ZINC000851970195 588649422 /nfs/dbraw/zinc/64/94/22/588649422.db2.gz BWSKAKNWHQXNDO-SNVBAGLBSA-N 1 0 237.265 2.203 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H](OC)C1CCCCC1 ZINC000851979102 588651162 /nfs/dbraw/zinc/65/11/62/588651162.db2.gz XFKNGRJRVXSJFB-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000852035178 588656380 /nfs/dbraw/zinc/65/63/80/588656380.db2.gz JSHKOKNOLCPIDY-YUMQZZPRSA-N 1 0 245.672 2.276 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1c(C)onc1CC ZINC000852100880 588662941 /nfs/dbraw/zinc/66/29/41/588662941.db2.gz BJLCNOVZGRBVFS-ZDUSSCGKSA-N 1 0 220.316 2.437 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](CC(C)C)OC ZINC000852103364 588663442 /nfs/dbraw/zinc/66/34/42/588663442.db2.gz FTAOUBBAPAADPU-CHWSQXEVSA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(F)n1 ZINC000852103321 588663495 /nfs/dbraw/zinc/66/34/95/588663495.db2.gz DKKXIFPFNCXQSP-GFCCVEGCSA-N 1 0 206.264 2.112 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](C)Cc1cccc(F)c1 ZINC000852162370 588668579 /nfs/dbraw/zinc/66/85/79/588668579.db2.gz IKLKYFFBNALGHJ-CYBMUJFWSA-N 1 0 249.329 2.338 20 30 BEEDRO C#CC1CC[NH+](C[C@H](OC)C2CCC2)CC1 ZINC000852208632 588672040 /nfs/dbraw/zinc/67/20/40/588672040.db2.gz VAJUQAVLKGYKMC-AWEZNQCLSA-N 1 0 221.344 2.147 20 30 BEEDRO C[Si](C)(C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852320136 588678574 /nfs/dbraw/zinc/67/85/74/588678574.db2.gz WYSWJBKVOZWAJX-LLVKDONJSA-N 1 0 210.397 2.489 20 30 BEEDRO C=CCN(Cc1oc(C)nc1C)[C@H](C)COC ZINC000852356733 588679773 /nfs/dbraw/zinc/67/97/73/588679773.db2.gz MUDBMVJOHUYYTE-SNVBAGLBSA-N 1 0 238.331 2.314 20 30 BEEDRO C=CC[N@H+](C/C=C\Cl)[C@H](C)COC ZINC000852357603 588679862 /nfs/dbraw/zinc/67/98/62/588679862.db2.gz DYMLTDKDRYDLKC-WWQCOOJYSA-N 1 0 203.713 2.262 20 30 BEEDRO C=CC[N@H+](C[C@H](O)c1ccccc1)[C@H](C)COC ZINC000852357233 588680005 /nfs/dbraw/zinc/68/00/05/588680005.db2.gz YIOUQDXVNVVCIK-HIFRSBDPSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nonc2C)C1 ZINC000852411796 588681481 /nfs/dbraw/zinc/68/14/81/588681481.db2.gz VMQOJLJTADLTHC-LLVKDONJSA-N 1 0 221.304 2.166 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@@H]1COCCO1 ZINC000852496144 588686090 /nfs/dbraw/zinc/68/60/90/588686090.db2.gz POFZLEOAXMJIPI-CYBMUJFWSA-N 1 0 229.364 2.304 20 30 BEEDRO C#CCC[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000852549489 588689306 /nfs/dbraw/zinc/68/93/06/588689306.db2.gz GGBAGGQFAUCVAN-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO C=CCN(Cc1nn(CC)nc1C)C(C)(C)C ZINC000852554660 588689593 /nfs/dbraw/zinc/68/95/93/588689593.db2.gz SWORLPFKHMBNNW-UHFFFAOYSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2CCC(=O)O2)CCCC1 ZINC000852588562 588692373 /nfs/dbraw/zinc/69/23/73/588692373.db2.gz UUVMRXZPPKEQST-LLVKDONJSA-N 1 0 223.316 2.171 20 30 BEEDRO C#CCC[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000852637471 588693614 /nfs/dbraw/zinc/69/36/14/588693614.db2.gz YVWIGHHKMLLKEY-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C[C@]1(C#N)CCN(CCOc2cccc(F)c2)C1 ZINC000852685431 588695870 /nfs/dbraw/zinc/69/58/70/588695870.db2.gz VONLMUZGDYMJDE-CQSZACIVSA-N 1 0 248.301 2.440 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCOC1=O ZINC000852685965 588695882 /nfs/dbraw/zinc/69/58/82/588695882.db2.gz NIEDJJDFTUXUAL-RWMBFGLXSA-N 1 0 235.327 2.123 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCOC1=O ZINC000852685967 588695916 /nfs/dbraw/zinc/69/59/16/588695916.db2.gz NIEDJJDFTUXUAL-UPJWGTAASA-N 1 0 235.327 2.123 20 30 BEEDRO C=C[C@H](CO)NCc1nc(Cl)ccc1Cl ZINC000852714446 588697581 /nfs/dbraw/zinc/69/75/81/588697581.db2.gz QBSRUHPEQZNTND-SSDOTTSWSA-N 1 0 247.125 2.025 20 30 BEEDRO C#CCOCC[N@H+](CCC1CC1)CC1CC1 ZINC000852715926 588697590 /nfs/dbraw/zinc/69/75/90/588697590.db2.gz CWAUODLSMDYRPI-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccc(C)nc1C ZINC000852748982 588698267 /nfs/dbraw/zinc/69/82/67/588698267.db2.gz NXNYOKAQUVHWOT-UHFFFAOYSA-N 1 0 246.354 2.170 20 30 BEEDRO C#CCCCN1CC[N@@H+](CCCC#C)[C@H](C)[C@@H]1C ZINC000852739944 588698660 /nfs/dbraw/zinc/69/86/60/588698660.db2.gz JXWKJPDXOJCIJQ-IYBDPMFKSA-N 1 0 246.398 2.208 20 30 BEEDRO C#CCCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000852758369 588700480 /nfs/dbraw/zinc/70/04/80/588700480.db2.gz FUSPHHYLGGRBSN-GASCZTMLSA-N 1 0 233.355 2.292 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000852786298 588702060 /nfs/dbraw/zinc/70/20/60/588702060.db2.gz FZFLDEDTSYYOSN-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO CC12CC(C1)C[N@@H+]2C[C@@H](O)c1ccc(C#N)cc1 ZINC000852786454 588702505 /nfs/dbraw/zinc/70/25/05/588702505.db2.gz WMDNJRJDAOTBCQ-HNFVBEJKSA-N 1 0 242.322 2.076 20 30 BEEDRO CCCCCCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000861655680 589173219 /nfs/dbraw/zinc/17/32/19/589173219.db2.gz YYBXNNWOUOWAJY-CYBMUJFWSA-N 1 0 241.379 2.008 20 30 BEEDRO C#CCN(Cc1nc(C)c[nH]1)C1CCCCC1 ZINC000862234991 589196195 /nfs/dbraw/zinc/19/61/95/589196195.db2.gz JFALOGAAOJVSFI-UHFFFAOYSA-N 1 0 231.343 2.486 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@]1(C)CCCS1 ZINC000862247112 589196662 /nfs/dbraw/zinc/19/66/62/589196662.db2.gz RDHQKAYLKZLYCJ-ZDUSSCGKSA-N 1 0 221.369 2.231 20 30 BEEDRO Cc1c(F)nccc1C[NH2+]CCCCC#N ZINC000862278058 589198735 /nfs/dbraw/zinc/19/87/35/589198735.db2.gz RAYGCOFNVZVJFF-UHFFFAOYSA-N 1 0 221.279 2.313 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)cn2)CCCS1 ZINC000862335626 589201060 /nfs/dbraw/zinc/20/10/60/589201060.db2.gz LBKIHPWFTWNHTE-CYBMUJFWSA-N 1 0 247.367 2.329 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(OC2CC2)c1 ZINC000862362571 589203895 /nfs/dbraw/zinc/20/38/95/589203895.db2.gz BQDLHISUANNBPQ-NSHDSACASA-N 1 0 245.322 2.348 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccnc(F)c1C ZINC000862362708 589204215 /nfs/dbraw/zinc/20/42/15/589204215.db2.gz DFRXGVFVAOCIQT-LLVKDONJSA-N 1 0 206.264 2.031 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc2n[nH]cc21 ZINC000862364031 589204626 /nfs/dbraw/zinc/20/46/26/589204626.db2.gz ZLFMNQVQBXNQSX-LLVKDONJSA-N 1 0 213.284 2.064 20 30 BEEDRO Cc1c(F)nccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000862397905 589209182 /nfs/dbraw/zinc/20/91/82/589209182.db2.gz PUTKNFFIJCFADB-CMPLNLGQSA-N 1 0 233.290 2.311 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccnc(F)c1C ZINC000862416417 589211398 /nfs/dbraw/zinc/21/13/98/589211398.db2.gz VPMZBTBRMTVLDG-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000862442298 589213197 /nfs/dbraw/zinc/21/31/97/589213197.db2.gz BJZZQOXRMLJPNO-GFCCVEGCSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(C)o2)C1 ZINC000862444213 589213777 /nfs/dbraw/zinc/21/37/77/589213777.db2.gz ZQKQQZPMCJETRU-GFCCVEGCSA-N 1 0 203.285 2.433 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000862443734 589213895 /nfs/dbraw/zinc/21/38/95/589213895.db2.gz SVYPRDQAVJFWFQ-CYBMUJFWSA-N 1 0 241.334 2.467 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000862445632 589214876 /nfs/dbraw/zinc/21/48/76/589214876.db2.gz YOAKLLDTDDCLRC-CHWSQXEVSA-N 1 0 205.301 2.024 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000862447804 589215456 /nfs/dbraw/zinc/21/54/56/589215456.db2.gz RMDNWVHMXJTMJI-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](CC)CCC=C ZINC000862549131 589220518 /nfs/dbraw/zinc/22/05/18/589220518.db2.gz VSPZLDFCKMJGHT-OLZOCXBDSA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H]1CC ZINC000862548790 589220571 /nfs/dbraw/zinc/22/05/71/589220571.db2.gz NWLQATOHLACKEX-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000862547308 589220178 /nfs/dbraw/zinc/22/01/78/589220178.db2.gz AOXDUOUZSGQLIU-UPJWGTAASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000862548814 589220416 /nfs/dbraw/zinc/22/04/16/589220416.db2.gz OIQGPNZAFSXTRN-MGPQQGTHSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000862549021 589220435 /nfs/dbraw/zinc/22/04/35/589220435.db2.gz STFAOLKLQYXRHT-WLYUNCDWSA-N 1 0 248.370 2.477 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@@H]1CC ZINC000862548792 589220507 /nfs/dbraw/zinc/22/05/07/589220507.db2.gz NWLQATOHLACKEX-XQQFMLRXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)CCC(F)(F)F ZINC000862548923 589220515 /nfs/dbraw/zinc/22/05/15/589220515.db2.gz QVFTTXBAYCDKSX-ZJUUUORDSA-N 1 0 237.265 2.345 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC=C(C)CC1 ZINC000862551417 589220840 /nfs/dbraw/zinc/22/08/40/589220840.db2.gz USZIOIXEYVBTKY-QWHCGFSZSA-N 1 0 207.317 2.113 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CC=C(C)CC1 ZINC000862551416 589220941 /nfs/dbraw/zinc/22/09/41/589220941.db2.gz USZIOIXEYVBTKY-OLZOCXBDSA-N 1 0 207.317 2.113 20 30 BEEDRO C=C(Cl)CN1CCC([NH2+]C(C)C)CC1 ZINC000118986545 589226481 /nfs/dbraw/zinc/22/64/81/589226481.db2.gz DDGQATSQGXUBSF-UHFFFAOYSA-N 1 0 216.756 2.201 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862791787 589241528 /nfs/dbraw/zinc/24/15/28/589241528.db2.gz HQXNKHBSFXQMPR-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCSCC[NH2+][C@H](CCCC)COC ZINC000119103017 589242122 /nfs/dbraw/zinc/24/21/22/589242122.db2.gz TUPSHNFGYMHTOG-GFCCVEGCSA-N 1 0 229.389 2.148 20 30 BEEDRO C[N@@H+]1CCC(=NNC2CCCC2)CC1(C)C ZINC000863090018 589255071 /nfs/dbraw/zinc/25/50/71/589255071.db2.gz SQBJSRQEQMJPLZ-UHFFFAOYSA-N 1 0 223.364 2.379 20 30 BEEDRO C[N@@H+]1CCC(=NOCC(F)(F)F)CC1(C)C ZINC000863103366 589256156 /nfs/dbraw/zinc/25/61/56/589256156.db2.gz WSIWDPUCRBRIJR-UHFFFAOYSA-N 1 0 238.253 2.426 20 30 BEEDRO C[N@@H+]1CCC(=NOC2CCC2)CC1(C)C ZINC000863115100 589259159 /nfs/dbraw/zinc/25/91/59/589259159.db2.gz ZBNCKYNHJKFATL-UHFFFAOYSA-N 1 0 210.321 2.416 20 30 BEEDRO CCCn1cccc1C=NNc1cc[nH+]c(C)c1 ZINC000863158626 589264045 /nfs/dbraw/zinc/26/40/45/589264045.db2.gz JIFFTEWKGOEWHF-UHFFFAOYSA-N 1 0 242.326 2.469 20 30 BEEDRO Cc1cc(C=NNc2cc[nH+]c(C)c2)c(C)n1C ZINC000863159326 589264284 /nfs/dbraw/zinc/26/42/84/589264284.db2.gz LZNJZPPMGZUXQZ-UHFFFAOYSA-N 1 0 242.326 2.213 20 30 BEEDRO Cc1cc(NN=Cc2nccn2C(C)C)cc[nH+]1 ZINC000863161129 589265016 /nfs/dbraw/zinc/26/50/16/589265016.db2.gz XVDUGOYQPHTYAK-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO c1cnn([NH+]=C2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000863163812 589266011 /nfs/dbraw/zinc/26/60/11/589266011.db2.gz PTVQCZGVVRDTPD-NEPJUHHUSA-N 1 0 233.315 2.314 20 30 BEEDRO CCOC(=O)[C@H]1CCC(=[NH+]n2cccn2)[C@H](C)C1 ZINC000863164616 589266540 /nfs/dbraw/zinc/26/65/40/589266540.db2.gz PXFUJKLZTDCOQU-MNOVXSKESA-N 1 0 249.314 2.087 20 30 BEEDRO CCNC(NCc1cccc(F)c1F)=[NH+]CC ZINC000864358001 589353910 /nfs/dbraw/zinc/35/39/10/589353910.db2.gz CZYHVFVMUNKBHB-UHFFFAOYSA-N 1 0 241.285 2.040 20 30 BEEDRO CNC(NCc1ccccc1CC(C)C)=[NH+]C ZINC000864357398 589355294 /nfs/dbraw/zinc/35/52/94/589355294.db2.gz VUXOQRQWZYVGGY-UHFFFAOYSA-N 1 0 233.359 2.180 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])NC(CC)CC ZINC000864461132 589368685 /nfs/dbraw/zinc/36/86/85/589368685.db2.gz MKZDABXUNAJWEK-UHFFFAOYSA-N 1 0 203.717 2.041 20 30 BEEDRO C=C(CNC(=[NH2+])N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000864468058 589372019 /nfs/dbraw/zinc/37/20/19/589372019.db2.gz FAZNPZZZPVRNAF-GXFFZTMASA-N 1 0 229.327 2.222 20 30 BEEDRO C=CCSCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865449832 589436481 /nfs/dbraw/zinc/43/64/81/589436481.db2.gz GGCWDFGUSLAUAX-UHFFFAOYSA-N 1 0 237.372 2.227 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865469708 589438700 /nfs/dbraw/zinc/43/87/00/589438700.db2.gz UCQFUZCAHLSPKA-JTQLQIEISA-N 1 0 230.315 2.023 20 30 BEEDRO C=CCOCC[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865524919 589443753 /nfs/dbraw/zinc/44/37/53/589443753.db2.gz PUXSJQPFKDPTQQ-UHFFFAOYSA-N 1 0 244.697 2.166 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865579800 589448575 /nfs/dbraw/zinc/44/85/75/589448575.db2.gz FYZKUMZKJCRZET-NSHDSACASA-N 1 0 249.333 2.462 20 30 BEEDRO CC1(C[NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000865846969 589464633 /nfs/dbraw/zinc/46/46/33/589464633.db2.gz CDMVSYGIGOPCER-CQSZACIVSA-N 1 0 226.323 2.415 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]CC1(F)CC1)C2 ZINC000865847035 589464824 /nfs/dbraw/zinc/46/48/24/589464824.db2.gz DSEVGUSRJXKWIO-CYBMUJFWSA-N 1 0 230.286 2.117 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1cccnc1)C2 ZINC000865848917 589464883 /nfs/dbraw/zinc/46/48/83/589464883.db2.gz QSMLMVXTRLXOCA-MRXNPFEDSA-N 1 0 249.317 2.210 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C)oc1C ZINC000120878493 589473329 /nfs/dbraw/zinc/47/33/29/589473329.db2.gz OKLZXIZPCUVMEM-UHFFFAOYSA-N 1 0 223.341 2.352 20 30 BEEDRO Cc1c[nH+]ccc1N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866259965 589483573 /nfs/dbraw/zinc/48/35/73/589483573.db2.gz RFYQDTIPFUFHQD-OAHLLOKOSA-N 1 0 249.317 2.263 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000866316115 589486144 /nfs/dbraw/zinc/48/61/44/589486144.db2.gz WTAXWNGVECWCCT-ZFWWWQNUSA-N 1 0 248.370 2.177 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866337204 589486794 /nfs/dbraw/zinc/48/67/94/589486794.db2.gz UWUOWIBOANIVAS-STQMWFEESA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866337744 589487016 /nfs/dbraw/zinc/48/70/16/589487016.db2.gz MAGUEBHIRCVCFM-HIFRSBDPSA-N 1 0 233.355 2.453 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCSC2)C1 ZINC000866404602 589490792 /nfs/dbraw/zinc/49/07/92/589490792.db2.gz VUAZMASDGPOJEM-QJPTWQEYSA-N 1 0 224.373 2.411 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1COCC[C@H]1O ZINC000866498078 589497571 /nfs/dbraw/zinc/49/75/71/589497571.db2.gz UFJUYCLWJHATET-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO COC(C)(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000866504360 589497767 /nfs/dbraw/zinc/49/77/67/589497767.db2.gz DXVUTCRUYNYEFL-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO COC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000866504362 589497835 /nfs/dbraw/zinc/49/78/35/589497835.db2.gz DXVUTCRUYNYEFL-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617512 589505361 /nfs/dbraw/zinc/50/53/61/589505361.db2.gz KNWSFMOCXIPTQS-HFAKWTLXSA-N 1 0 244.338 2.038 20 30 BEEDRO COCC[C@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617269 589505525 /nfs/dbraw/zinc/50/55/25/589505525.db2.gz GILYRXHFQSFKOB-NHYWBVRUSA-N 1 0 244.338 2.040 20 30 BEEDRO C=C(C)CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868181181 589551257 /nfs/dbraw/zinc/55/12/57/589551257.db2.gz DNCCIBXISBDUGS-QWHCGFSZSA-N 1 0 245.326 2.199 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC)c(OC)c1 ZINC000123056699 589658377 /nfs/dbraw/zinc/65/83/77/589658377.db2.gz JGKZVHYTYKROEE-NSHDSACASA-N 1 0 233.311 2.205 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870553991 589675627 /nfs/dbraw/zinc/67/56/27/589675627.db2.gz WYWAAGPUIHTSHJ-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO COc1cccc(C[NH+]2CCC(C#N)CC2)c1O ZINC000123739946 589790676 /nfs/dbraw/zinc/79/06/76/589790676.db2.gz DMVLSTVKEZDDMZ-UHFFFAOYSA-N 1 0 246.310 2.136 20 30 BEEDRO CC(C)OC1(C[NH2+]C[C@H](C#N)CCC#N)CCC1 ZINC000871933000 589833661 /nfs/dbraw/zinc/83/36/61/589833661.db2.gz DCXXKRZZBYFGHL-ZDUSSCGKSA-N 1 0 249.358 2.367 20 30 BEEDRO COCC(C)(C)CC[NH2+]C[C@H](C#N)CCC#N ZINC000871930363 589834057 /nfs/dbraw/zinc/83/40/57/589834057.db2.gz LUKYSAUPWYBNRI-LBPRGKRZSA-N 1 0 237.347 2.082 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC2(O)CCCCC2)CC1 ZINC000871939511 589835211 /nfs/dbraw/zinc/83/52/11/589835211.db2.gz VLNBTIRISOUQDG-HDJSIYSDSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CCSCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872047822 589860604 /nfs/dbraw/zinc/86/06/04/589860604.db2.gz GKWZYTTWRYFDOX-STQMWFEESA-N 1 0 241.400 2.148 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872051313 589861589 /nfs/dbraw/zinc/86/15/89/589861589.db2.gz IVQOGCXFSVORCT-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCOC1 ZINC000872063721 589862576 /nfs/dbraw/zinc/86/25/76/589862576.db2.gz SKKFOYZEKLMEKE-SYQHCUMBSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000872060757 589862678 /nfs/dbraw/zinc/86/26/78/589862678.db2.gz SQKFQDUHDJOBSC-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCOC1 ZINC000872063720 589862968 /nfs/dbraw/zinc/86/29/68/589862968.db2.gz SKKFOYZEKLMEKE-RQJABVFESA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872063559 589863010 /nfs/dbraw/zinc/86/30/10/589863010.db2.gz XMAHSBSXVHAKAK-VHSXEESVSA-N 1 0 239.290 2.119 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(C#N)cn2)CCO1 ZINC000872065366 589863345 /nfs/dbraw/zinc/86/33/45/589863345.db2.gz ZNPDOHHLXCPXHR-LBPRGKRZSA-N 1 0 245.326 2.000 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2ccc(C#N)cn2)CCO1 ZINC000872065365 589863470 /nfs/dbraw/zinc/86/34/70/589863470.db2.gz ZNPDOHHLXCPXHR-GFCCVEGCSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000872100153 589870557 /nfs/dbraw/zinc/87/05/57/589870557.db2.gz HQATXVFVRAWQOF-GFCCVEGCSA-N 1 0 236.363 2.249 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000872107498 589873785 /nfs/dbraw/zinc/87/37/85/589873785.db2.gz YVTUMKDVPLXAPA-UTUOFQBUSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000872127375 589877792 /nfs/dbraw/zinc/87/77/92/589877792.db2.gz VPMOBTLEOGXXLA-GIPNMCIBSA-N 1 0 248.301 2.119 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)CC1 ZINC000872139475 589880393 /nfs/dbraw/zinc/88/03/93/589880393.db2.gz FZMBDPZMVKKKET-CYDGBPFRSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@H](C)C2)CC1 ZINC000872139438 589880412 /nfs/dbraw/zinc/88/04/12/589880412.db2.gz FHNXTORRLMOHNO-SYQHCUMBSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000872139645 589880490 /nfs/dbraw/zinc/88/04/90/589880490.db2.gz MUZAKZNPJSNZMF-HTVCTNPSSA-N 1 0 221.344 2.334 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccnn2C)CC1 ZINC000872139160 589880608 /nfs/dbraw/zinc/88/06/08/589880608.db2.gz HCCMTZARWSTJGP-AVGNSLFASA-N 1 0 231.343 2.263 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC000872140740 589881721 /nfs/dbraw/zinc/88/17/21/589881721.db2.gz XFZJOLDCDMEIRR-IHRRRGAJSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCN(CC)CC2)CC1 ZINC000872140668 589881931 /nfs/dbraw/zinc/88/19/31/589881931.db2.gz VOMCSZIAIGSVIT-HDJSIYSDSA-N 1 0 234.387 2.252 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872243423 589899545 /nfs/dbraw/zinc/89/95/45/589899545.db2.gz ONJPXINOOPRMDO-GFCCVEGCSA-N 1 0 243.391 2.090 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000872243184 589899557 /nfs/dbraw/zinc/89/95/57/589899557.db2.gz KHUBODSFEJVBPJ-VIFPVBQESA-N 1 0 239.281 2.492 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]CCC[C@@H]2C=CCC2)CC1 ZINC000872245597 589899926 /nfs/dbraw/zinc/89/99/26/589899926.db2.gz DHBWMJBRZLMXKK-ZIAGYGMSSA-N 1 0 248.370 2.377 20 30 BEEDRO C=CCCC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872317753 589910493 /nfs/dbraw/zinc/91/04/93/589910493.db2.gz AEHQPSDFRQELNL-UHFFFAOYSA-N 1 0 231.343 2.300 20 30 BEEDRO C[C@@H]1C(N=Nc2ccccc2)CC[N@@H+]1C ZINC000872324489 589912295 /nfs/dbraw/zinc/91/22/95/589912295.db2.gz SFIGHLGOVYHUQR-SNVBAGLBSA-N 1 0 203.289 2.179 20 30 BEEDRO C[NH+](C)C1(C)CCC(N=Nc2ncccn2)CC1 ZINC000872341374 589914407 /nfs/dbraw/zinc/91/44/07/589914407.db2.gz QAZGIHGPESWSFS-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO C[NH+](C)C1(C)CCC(N=Nc2cnccn2)CC1 ZINC000872341090 589914426 /nfs/dbraw/zinc/91/44/26/589914426.db2.gz BQMMEEXJQSFXKX-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO C[C@@H]1C(N=Nc2ncccc2Cl)CC[N@@H+]1C ZINC000872344288 589915569 /nfs/dbraw/zinc/91/55/69/589915569.db2.gz RMLZZXPGHXXMBP-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO CCNc1ccccc1C=[NH+]N[C@@H](C)COC ZINC000872363087 589919882 /nfs/dbraw/zinc/91/98/82/589919882.db2.gz POWZXOPUBXUTPZ-NSHDSACASA-N 1 0 235.331 2.077 20 30 BEEDRO C[C@H]1C(N=Nc2cc(Cl)ccn2)CC[N@@H+]1C ZINC000872364969 589920344 /nfs/dbraw/zinc/92/03/44/589920344.db2.gz YDIPDCMZUVLYOY-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[NH+](C)C1(C)CCC(N=Nc2ccncc2)CC1 ZINC000872363930 589920789 /nfs/dbraw/zinc/92/07/89/589920789.db2.gz XCPCGLZKTYEAHR-UHFFFAOYSA-N 1 0 246.358 2.166 20 30 BEEDRO C[C@H]1C(N=Nc2ccc3n[nH]cc3c2)CC[N@@H+]1C ZINC000872363993 589920886 /nfs/dbraw/zinc/92/08/86/589920886.db2.gz ZQWFDPXFFSUKOV-VIFPVBQESA-N 1 0 243.314 2.055 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]N[C@H]1CCCC1(C)C ZINC000872370533 589922927 /nfs/dbraw/zinc/92/29/27/589922927.db2.gz AIDUCWYLZNFKEC-LBPRGKRZSA-N 1 0 246.358 2.474 20 30 BEEDRO C=C[C@H](C)ON=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872387508 589930689 /nfs/dbraw/zinc/93/06/89/589930689.db2.gz RQPBJJDQVAOFRV-JQWIXIFHSA-N 1 0 240.372 2.145 20 30 BEEDRO C[NH+]1CCC(C=NOCC2CCC2)CC1 ZINC000872390497 589931375 /nfs/dbraw/zinc/93/13/75/589931375.db2.gz DTEVUUVIRNWCBQ-UHFFFAOYSA-N 1 0 210.321 2.131 20 30 BEEDRO C=CCC1(C=[NH+]n2cccn2)CCOCC1 ZINC000872393117 589932183 /nfs/dbraw/zinc/93/21/83/589932183.db2.gz LPAPIPUKTLULHO-UHFFFAOYSA-N 1 0 219.288 2.090 20 30 BEEDRO C1CN(N=C2CCCC[C@@H]2[NH+]2CCCCC2)C1 ZINC000872396296 589932967 /nfs/dbraw/zinc/93/29/67/589932967.db2.gz BELVINCQNZWXAG-AWEZNQCLSA-N 1 0 235.375 2.477 20 30 BEEDRO CC(=[NH+]N1CCC1)c1ccc(N(C)C)cc1 ZINC000872396138 589933349 /nfs/dbraw/zinc/93/33/49/589933349.db2.gz TWFOYDWAILYKLF-UHFFFAOYSA-N 1 0 217.316 2.182 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)o1 ZINC000873156196 589988464 /nfs/dbraw/zinc/98/84/64/589988464.db2.gz JRNQPEOXICOQJF-SWHYSGLUSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)o1 ZINC000873156195 589988552 /nfs/dbraw/zinc/98/85/52/589988552.db2.gz JRNQPEOXICOQJF-LEWSCRJBSA-N 1 0 246.310 2.198 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]3CCC[C@@H]3O2)o1 ZINC000873156193 589988595 /nfs/dbraw/zinc/98/85/95/589988595.db2.gz JRNQPEOXICOQJF-BPNCWPANSA-N 1 0 246.310 2.198 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(CC)nc2)CC1 ZINC000873198197 589991869 /nfs/dbraw/zinc/99/18/69/589991869.db2.gz XTEQYVPNUDFRBP-MQMHXKEQSA-N 1 0 243.354 2.321 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000873198365 589991995 /nfs/dbraw/zinc/99/19/95/589991995.db2.gz GSPRSNXUYQVFGE-IHRRRGAJSA-N 1 0 221.344 2.195 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nc(C)c(C)[nH]2)CC1 ZINC000873197984 589992328 /nfs/dbraw/zinc/99/23/28/589992328.db2.gz LHMOARHPZYUVJC-JOCQHMNTSA-N 1 0 231.343 2.308 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)CC1 ZINC000873198687 589992909 /nfs/dbraw/zinc/99/29/09/589992909.db2.gz VSKUIDIPSRRBQQ-HAQNSBGRSA-N 1 0 228.295 2.433 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCC1(CC)CC ZINC000874629228 590119893 /nfs/dbraw/zinc/11/98/93/590119893.db2.gz AVQVNCNLQNWZNI-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cscc1Cl ZINC000874811868 590138824 /nfs/dbraw/zinc/13/88/24/590138824.db2.gz SVAYTFAFUNMBEP-UHFFFAOYSA-N 1 0 244.747 2.458 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CCN(C)C1)C1CC1 ZINC000125319660 590161400 /nfs/dbraw/zinc/16/14/00/590161400.db2.gz XWNAFVUTKRBQOK-STQMWFEESA-N 1 0 208.349 2.025 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H](CO)C1 ZINC000876510340 590205501 /nfs/dbraw/zinc/20/55/01/590205501.db2.gz SXVCTCDCOOELLM-CQSZACIVSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CCCCCCC[N@H+](CCC)CCO ZINC000876537746 590211935 /nfs/dbraw/zinc/21/19/35/590211935.db2.gz BHZZIEGYBKYEIP-UHFFFAOYSA-N 1 0 211.349 2.274 20 30 BEEDRO CC[N@H+](Cc1cccc(C#N)n1)C(C)C ZINC000876562562 590216409 /nfs/dbraw/zinc/21/64/09/590216409.db2.gz ZNQGRGKOAXZBBV-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000876593024 590219322 /nfs/dbraw/zinc/21/93/22/590219322.db2.gz CNDOIWUSPSLVSK-NSHDSACASA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C1CCCC1 ZINC000876590993 590219338 /nfs/dbraw/zinc/21/93/38/590219338.db2.gz GNKWWNGZTXUOPY-NSHDSACASA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC1CCCC1 ZINC000876593022 590219454 /nfs/dbraw/zinc/21/94/54/590219454.db2.gz CNDOIWUSPSLVSK-LLVKDONJSA-N 1 0 244.766 2.153 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(C)C)C1CC1 ZINC000876596086 590219728 /nfs/dbraw/zinc/21/97/28/590219728.db2.gz DJKYRZUVODKVKO-NSHDSACASA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](CC)C1 ZINC000876602636 590220670 /nfs/dbraw/zinc/22/06/70/590220670.db2.gz CWLATZDTRXTHIX-GHMZBOCLSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](CC)C1 ZINC000876602637 590220685 /nfs/dbraw/zinc/22/06/85/590220685.db2.gz CWLATZDTRXTHIX-MNOVXSKESA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](CC)C1 ZINC000876602638 590220742 /nfs/dbraw/zinc/22/07/42/590220742.db2.gz CWLATZDTRXTHIX-QWRGUYRKSA-N 1 0 244.766 2.105 20 30 BEEDRO C#CCCCCCC[N@@H+](C)Cc1cnccn1 ZINC000876643480 590225803 /nfs/dbraw/zinc/22/58/03/590225803.db2.gz FRQLJSBCYACQPW-UHFFFAOYSA-N 1 0 231.343 2.492 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000876695827 590229962 /nfs/dbraw/zinc/22/99/62/590229962.db2.gz ISXXBUQUSCFAQX-GARJFASQSA-N 1 0 244.766 2.151 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCC2(C1)OCCO2 ZINC000876684500 590230419 /nfs/dbraw/zinc/23/04/19/590230419.db2.gz OWTKSXLSXUSFEY-UHFFFAOYSA-N 1 0 237.343 2.019 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@](C)(CC)C1 ZINC000876693097 590231222 /nfs/dbraw/zinc/23/12/22/590231222.db2.gz PXAWQTWRTVIQOW-ZYHUDNBSSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(CCC)CC1 ZINC000876704315 590231757 /nfs/dbraw/zinc/23/17/57/590231757.db2.gz XUQCFRPVJLVYJN-SNVBAGLBSA-N 1 0 244.766 2.153 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@](C)(O)C1 ZINC000876759612 590239184 /nfs/dbraw/zinc/23/91/84/590239184.db2.gz OJPFZIPPUACFMK-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000876815038 590245642 /nfs/dbraw/zinc/24/56/42/590245642.db2.gz MUCJTGKUUIYNSV-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO N#CC1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000876890339 590254164 /nfs/dbraw/zinc/25/41/64/590254164.db2.gz XDGIDZYXKYYREF-PESDSKBTSA-N 1 0 244.338 2.392 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000876890340 590254374 /nfs/dbraw/zinc/25/43/74/590254374.db2.gz XDGIDZYXKYYREF-ZALBZXLWSA-N 1 0 244.338 2.392 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000876889745 590254405 /nfs/dbraw/zinc/25/44/05/590254405.db2.gz PMXBCXNKXROKHW-TZMCWYRMSA-N 1 0 232.327 2.249 20 30 BEEDRO CCCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876906816 590255828 /nfs/dbraw/zinc/25/58/28/590255828.db2.gz IOMKTZCQLHDMCH-UHFFFAOYSA-N 1 0 223.707 2.496 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CCOC1 ZINC000876930245 590258139 /nfs/dbraw/zinc/25/81/39/590258139.db2.gz UMUUJJDQWZHQLS-CYBMUJFWSA-N 1 0 209.333 2.196 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(F)cc(F)c1 ZINC000126256439 590261460 /nfs/dbraw/zinc/26/14/60/590261460.db2.gz LIZRREIATPJFFG-UHFFFAOYSA-N 1 0 241.306 2.421 20 30 BEEDRO C[C@@H](Cc1cnccn1)[NH2+]C1CCC(C#N)CC1 ZINC000876976422 590263379 /nfs/dbraw/zinc/26/33/79/590263379.db2.gz OKPRWBJBGFGPDP-HIFPTAJRSA-N 1 0 244.342 2.080 20 30 BEEDRO CCCCCCCNC(=O)[C@H](C)[NH2+]CCC ZINC000876987793 590263536 /nfs/dbraw/zinc/26/35/36/590263536.db2.gz JIMKYXZRPOSGKB-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876979115 590264241 /nfs/dbraw/zinc/26/42/41/590264241.db2.gz UGEQSELLYVGLKW-MNOVXSKESA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876979116 590264300 /nfs/dbraw/zinc/26/43/00/590264300.db2.gz UGEQSELLYVGLKW-QWRGUYRKSA-N 1 0 238.375 2.221 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000876987657 590265312 /nfs/dbraw/zinc/26/53/12/590265312.db2.gz DFIIZZZOBHGONB-OCCSQVGLSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C(Br)C[NH2+]CCC[C@@H]1CCO1 ZINC000877020515 590270056 /nfs/dbraw/zinc/27/00/56/590270056.db2.gz WNGBEJQUJPUVBM-SECBINFHSA-N 1 0 234.137 2.054 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)[C@H](CO)SC ZINC000877048391 590271043 /nfs/dbraw/zinc/27/10/43/590271043.db2.gz JSCNORVOGCDAKJ-OLZOCXBDSA-N 1 0 243.416 2.272 20 30 BEEDRO CO[C@H](C[NH2+]C[C@@H](C)CCC#N)C(F)(F)F ZINC000877027850 590271799 /nfs/dbraw/zinc/27/17/99/590271799.db2.gz RJEYZYJYSYFZKV-DTWKUNHWSA-N 1 0 238.253 2.093 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H](CC(C)C)OC ZINC000877048102 590274393 /nfs/dbraw/zinc/27/43/93/590274393.db2.gz IAGOASLLMCBSPE-GFCCVEGCSA-N 1 0 229.389 2.004 20 30 BEEDRO CSCC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000877055389 590275351 /nfs/dbraw/zinc/27/53/51/590275351.db2.gz MPLFQOSQAFXQHF-JTQLQIEISA-N 1 0 235.356 2.184 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000877069076 590277254 /nfs/dbraw/zinc/27/72/54/590277254.db2.gz WWPAZLVOCOVGFF-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877068901 590277357 /nfs/dbraw/zinc/27/73/57/590277357.db2.gz UWYHOSIYULQSBC-ZWNOBZJWSA-N 1 0 247.367 2.327 20 30 BEEDRO C#CCCC[NH2+]Cc1nc2ccccc2nc1C ZINC000877070766 590277506 /nfs/dbraw/zinc/27/75/06/590277506.db2.gz VLIJTMJAXPDLQG-UHFFFAOYSA-N 1 0 239.322 2.441 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1ccon1 ZINC000877075306 590278367 /nfs/dbraw/zinc/27/83/67/590278367.db2.gz CIJHFYCSVSSYFD-UHFFFAOYSA-N 1 0 206.289 2.348 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccncc1 ZINC000877091160 590280454 /nfs/dbraw/zinc/28/04/54/590280454.db2.gz XVNFNRCQTZXKES-LBPRGKRZSA-N 1 0 217.316 2.154 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC2CCC2)n1 ZINC000877103438 590283871 /nfs/dbraw/zinc/28/38/71/590283871.db2.gz OLMVJSQQAMMQLY-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO C=C[C@@H](CC(=O)N(C)C[C@H](C)[NH3+])c1ccccc1 ZINC000877106781 590285441 /nfs/dbraw/zinc/28/54/41/590285441.db2.gz ZXYZAZRHDPSKNX-STQMWFEESA-N 1 0 246.354 2.152 20 30 BEEDRO C#CCCCCCC[NH2+]C1(CO)CCC1 ZINC000877140862 590291419 /nfs/dbraw/zinc/29/14/19/590291419.db2.gz NICUPJNEDVBKJK-UHFFFAOYSA-N 1 0 209.333 2.075 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](CC(C)C)OC ZINC000877149303 590292885 /nfs/dbraw/zinc/29/28/85/590292885.db2.gz LAELPOBTXGXQSV-JTQLQIEISA-N 1 0 205.729 2.390 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](C)[NH2+]CC ZINC000877304383 590308093 /nfs/dbraw/zinc/30/80/93/590308093.db2.gz ZOJAVGWSYQWFDC-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000877303454 590310465 /nfs/dbraw/zinc/31/04/65/590310465.db2.gz HZWQGVKPSSTXSS-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CCO[P@](C)(=O)CC[C@H](C)[NH2+]C[C@H](C)C#N ZINC000877322102 590316524 /nfs/dbraw/zinc/31/65/24/590316524.db2.gz ZFYZDORAUKBFNB-GDLVEWKHSA-N 1 0 246.291 2.459 20 30 BEEDRO C#CCCCCCC[NH2+]C1COC(C)(C)OC1 ZINC000877339202 590317767 /nfs/dbraw/zinc/31/77/67/590317767.db2.gz UNKCFSXNOSZIEZ-UHFFFAOYSA-N 1 0 239.359 2.311 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000877336484 590318266 /nfs/dbraw/zinc/31/82/66/590318266.db2.gz JXUFSDQDKBADJU-BBRMVZONSA-N 1 0 245.366 2.318 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000877402546 590323776 /nfs/dbraw/zinc/32/37/76/590323776.db2.gz FJYBXWINJYPQJV-MWLCHTKSSA-N 1 0 231.299 2.334 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000877426072 590325154 /nfs/dbraw/zinc/32/51/54/590325154.db2.gz JHZCZFGQQIHQQK-UHFFFAOYSA-N 1 0 229.327 2.242 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@@H]1CCO ZINC000877435638 590327629 /nfs/dbraw/zinc/32/76/29/590327629.db2.gz VJIYISHFIGGXMB-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC=CO1 ZINC000877460129 590331671 /nfs/dbraw/zinc/33/16/71/590331671.db2.gz PUQHVGXCBDSLSF-NEPJUHHUSA-N 1 0 208.305 2.209 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000877463470 590332429 /nfs/dbraw/zinc/33/24/29/590332429.db2.gz DTRRRRWWNIISLG-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1c(C)cccc1O ZINC000877479382 590337124 /nfs/dbraw/zinc/33/71/24/590337124.db2.gz CASHMZSAVGQWKB-LLVKDONJSA-N 1 0 203.285 2.154 20 30 BEEDRO Cc1cccc(C[C@@H](C)[NH2+]CCC#N)c1 ZINC000877482828 590337844 /nfs/dbraw/zinc/33/78/44/590337844.db2.gz HQIOLPJMRHNCTJ-GFCCVEGCSA-N 1 0 202.301 2.429 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)C ZINC000877513433 590342902 /nfs/dbraw/zinc/34/29/02/590342902.db2.gz WBFUCQPIRJYMSI-WXRRBKDZSA-N 1 0 204.317 2.316 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877512891 590343495 /nfs/dbraw/zinc/34/34/95/590343495.db2.gz FHUZZMFSOGSLEI-HTQZYQBOSA-N 1 0 206.116 2.182 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)cccc1O ZINC000877513797 590344647 /nfs/dbraw/zinc/34/46/47/590344647.db2.gz ZTFTURSVAWISNK-LLVKDONJSA-N 1 0 203.285 2.202 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CCc1cccnc1 ZINC000877513413 590344961 /nfs/dbraw/zinc/34/49/61/590344961.db2.gz VKWUPUKMVAKGCL-JSGCOSHPSA-N 1 0 216.328 2.404 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C[C@@H](O)C1CC1 ZINC000877527928 590349424 /nfs/dbraw/zinc/34/94/24/590349424.db2.gz PHAUTFKYIXUAKM-CQSZACIVSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCO[C@H]2C[C@H]21 ZINC000877545222 590352175 /nfs/dbraw/zinc/35/21/75/590352175.db2.gz HGNNFOXFOJKVHD-OLZOCXBDSA-N 1 0 207.317 2.043 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000877554608 590355977 /nfs/dbraw/zinc/35/59/77/590355977.db2.gz KURCUJNZMYRLIG-QWHCGFSZSA-N 1 0 224.348 2.021 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000877554605 590356090 /nfs/dbraw/zinc/35/60/90/590356090.db2.gz KURCUJNZMYRLIG-CHWSQXEVSA-N 1 0 224.348 2.021 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@H](CC)CO ZINC000877556926 590357542 /nfs/dbraw/zinc/35/75/42/590357542.db2.gz ZNACKCDPHVWHQH-CYBMUJFWSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000877563733 590360976 /nfs/dbraw/zinc/36/09/76/590360976.db2.gz OSXIGIRVXIAFEU-ZDUSSCGKSA-N 1 0 245.313 2.272 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(Cl)nn1 ZINC000877565055 590361255 /nfs/dbraw/zinc/36/12/55/590361255.db2.gz RXRDMFZLNRBDQP-UHFFFAOYSA-N 1 0 211.696 2.186 20 30 BEEDRO CCc1nc(C[NH2+]C[C@@H](C)CCC#N)co1 ZINC000877570696 590361788 /nfs/dbraw/zinc/36/17/88/590361788.db2.gz NAZZTMJEKLORBG-JTQLQIEISA-N 1 0 221.304 2.266 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CC)[C@@H](C)O ZINC000877568615 590361911 /nfs/dbraw/zinc/36/19/11/590361911.db2.gz SUIVBCSQDBEGDV-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C#Cc1cccc(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000877575074 590362943 /nfs/dbraw/zinc/36/29/43/590362943.db2.gz FXPRFTCMRRKLCE-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCC[C@H]1CO ZINC000877575030 590363297 /nfs/dbraw/zinc/36/32/97/590363297.db2.gz DCLRNXITMDWCCR-KBPBESRZSA-N 1 0 223.360 2.321 20 30 BEEDRO N#CC1(C[NH2+]C[C@H]2CC2(Cl)Cl)CCC1 ZINC000877593496 590369391 /nfs/dbraw/zinc/36/93/91/590369391.db2.gz BCVIQSHZFANQIA-MRVPVSSYSA-N 1 0 233.142 2.464 20 30 BEEDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000877597169 590371020 /nfs/dbraw/zinc/37/10/20/590371020.db2.gz BVPZDPCFLSLHOZ-NWDGAFQWSA-N 1 0 230.311 2.483 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CC2(Cl)Cl)C1 ZINC000877597156 590371192 /nfs/dbraw/zinc/37/11/92/590371192.db2.gz BNLRELIOAZTINV-XHNCKOQMSA-N 1 0 233.142 2.462 20 30 BEEDRO C#CC1CC[NH+](Cc2cncc(OC)c2C)CC1 ZINC000877606532 590371959 /nfs/dbraw/zinc/37/19/59/590371959.db2.gz DMCSTCYWBAYPAC-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000877609180 590372444 /nfs/dbraw/zinc/37/24/44/590372444.db2.gz AUWGZBJQUNUIBB-MCIONIFRSA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](CCC)OC)C1 ZINC000877617312 590374330 /nfs/dbraw/zinc/37/43/30/590374330.db2.gz NQIHMNPHBCROTG-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@](C)(OC)C2CC2)C1 ZINC000877616910 590374545 /nfs/dbraw/zinc/37/45/45/590374545.db2.gz INJYMGMBSMFAOT-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877623465 590376265 /nfs/dbraw/zinc/37/62/65/590376265.db2.gz QHXNBBHSOWQAHT-UHFFFAOYSA-N 1 0 221.691 2.272 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(C)cc1O ZINC000877630853 590377528 /nfs/dbraw/zinc/37/75/28/590377528.db2.gz NZWXZJKZQRPHBP-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C=CCOCCC[NH2+]Cc1nc(Cl)cs1 ZINC000877629823 590378070 /nfs/dbraw/zinc/37/80/70/590378070.db2.gz BCLXOWGJOWZFAW-UHFFFAOYSA-N 1 0 246.763 2.479 20 30 BEEDRO C#C[C@H]([NH2+]CC1(C(C)C)CC1)C1CCOCC1 ZINC000877636772 590380540 /nfs/dbraw/zinc/38/05/40/590380540.db2.gz BPWXTFPZPQZRGK-AWEZNQCLSA-N 1 0 235.371 2.441 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCOCc1ccccc1 ZINC000877639626 590382152 /nfs/dbraw/zinc/38/21/52/590382152.db2.gz DAFSYKNZBCUFPO-UKRRQHHQSA-N 1 0 249.354 2.118 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](OC)[C@@H](C)CC)C1 ZINC000877649617 590383598 /nfs/dbraw/zinc/38/35/98/590383598.db2.gz CFUSBZBRWOCTGG-MJBXVCDLSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000877649246 590384435 /nfs/dbraw/zinc/38/44/35/590384435.db2.gz 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ZINC000883236792 591582595 /nfs/dbraw/zinc/58/25/95/591582595.db2.gz KYWGHYJASOVKTE-DGAVXFQQSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)[C@@H]1CCCO1 ZINC000883236794 591582644 /nfs/dbraw/zinc/58/26/44/591582644.db2.gz KYWGHYJASOVKTE-RQJABVFESA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCCF)[C@H]1CCCO1 ZINC000883237839 591583665 /nfs/dbraw/zinc/58/36/65/591583665.db2.gz LRYHGTOTMMCILY-CHWSQXEVSA-N 1 0 245.338 2.076 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)[C@H]1CCCO1 ZINC000883239940 591584997 /nfs/dbraw/zinc/58/49/97/591584997.db2.gz AMNVZTKICSFGJH-AAVRWANBSA-N 1 0 239.359 2.267 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000883272858 591604602 /nfs/dbraw/zinc/60/46/02/591604602.db2.gz XWVKHUIKBYZKHM-CYDGBPFRSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CC1CCC1 ZINC000883390971 591642539 /nfs/dbraw/zinc/64/25/39/591642539.db2.gz YXKIWXUNJUCGBI-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC1([NH2+]Cc2oc(C)nc2C)CCCC1 ZINC000883361464 591631309 /nfs/dbraw/zinc/63/13/09/591631309.db2.gz DOYJETXCVLVYLQ-UHFFFAOYSA-N 1 0 218.300 2.327 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C1CCSCC1 ZINC000883391271 591637075 /nfs/dbraw/zinc/63/70/75/591637075.db2.gz HDPYANRRDFZFLO-DGCLKSJQSA-N 1 0 243.416 2.435 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000883391150 591642417 /nfs/dbraw/zinc/64/24/17/591642417.db2.gz DHUOQQAOSCPRMR-JSGCOSHPSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccccn1 ZINC000883390478 591642820 /nfs/dbraw/zinc/64/28/20/591642820.db2.gz MWNYJWPQKBSSON-NEPJUHHUSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cscn1 ZINC000883390468 591643051 /nfs/dbraw/zinc/64/30/51/591643051.db2.gz MOMKWMCVCIVTOS-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000883391428 591643437 /nfs/dbraw/zinc/64/34/37/591643437.db2.gz KAZWVWDOBJUHMJ-RVMXOQNASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CCC(COC)CC1 ZINC000883392181 591644119 /nfs/dbraw/zinc/64/41/19/591644119.db2.gz BPXYQZOARCRQRX-JXQTWKCFSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1nc2ccccc2o1 ZINC000883400665 591647502 /nfs/dbraw/zinc/64/75/02/591647502.db2.gz SCKXUYVEBSNLCD-LLVKDONJSA-N 1 0 246.310 2.245 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000883400569 591647506 /nfs/dbraw/zinc/64/75/06/591647506.db2.gz PZVGWUGXGAOHLK-LLVKDONJSA-N 1 0 236.340 2.036 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1occc1C ZINC000883400440 591647595 /nfs/dbraw/zinc/64/75/95/591647595.db2.gz MMMNGUQUGBDBGH-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(CC)o1 ZINC000883400656 591647648 /nfs/dbraw/zinc/64/76/48/591647648.db2.gz RYHPBKZNNAVJKZ-LLVKDONJSA-N 1 0 223.316 2.259 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1csc(C)c1 ZINC000883400661 591647657 /nfs/dbraw/zinc/64/76/57/591647657.db2.gz SAXYKQREGWLVQL-LBPRGKRZSA-N 1 0 225.357 2.473 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000883400312 591647726 /nfs/dbraw/zinc/64/77/26/591647726.db2.gz JFSWJTDTNDCGFL-AWEZNQCLSA-N 1 0 249.354 2.426 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccsc1 ZINC000883401516 591648356 /nfs/dbraw/zinc/64/83/56/591648356.db2.gz ORNZDOXTHQJSGU-LLVKDONJSA-N 1 0 211.330 2.165 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000132878223 591744851 /nfs/dbraw/zinc/74/48/51/591744851.db2.gz UZYVTUDNLRBDMJ-NEPJUHHUSA-N 1 0 241.400 2.146 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000884019301 591801900 /nfs/dbraw/zinc/80/19/00/591801900.db2.gz PWBZLNQVINYGCO-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCCCCC(=O)OCCC[NH+]1CCCC1 ZINC000800193085 591836519 /nfs/dbraw/zinc/83/65/19/591836519.db2.gz MWIZUJHSNSTROM-UHFFFAOYSA-N 1 0 237.343 2.209 20 30 BEEDRO C=CC1CCN(C(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884134965 591858537 /nfs/dbraw/zinc/85/85/37/591858537.db2.gz XPFBMQPLHHZOAX-ZDUSSCGKSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000133817040 591860551 /nfs/dbraw/zinc/86/05/51/591860551.db2.gz MLCBQRFFSANVIY-UHFFFAOYSA-N 1 0 232.283 2.140 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000884287104 591894413 /nfs/dbraw/zinc/89/44/13/591894413.db2.gz SRABUVPLSYYATL-NTZNESFSSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884390066 591923117 /nfs/dbraw/zinc/92/31/17/591923117.db2.gz MRTVGSVQFAVPIH-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884419143 591929073 /nfs/dbraw/zinc/92/90/73/591929073.db2.gz IIFNNXHNGLSJQE-LBPRGKRZSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC[C@@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC000884595025 591991250 /nfs/dbraw/zinc/99/12/50/591991250.db2.gz XOVFXGYNSZQTID-GFCCVEGCSA-N 1 0 200.285 2.240 20 30 BEEDRO C=CC[NH2+]Cc1cc(C)cc(OC)c1OC ZINC000885894032 592106540 /nfs/dbraw/zinc/10/65/40/592106540.db2.gz DEULJNGRSWFWNZ-UHFFFAOYSA-N 1 0 221.300 2.288 20 30 BEEDRO 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BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(Cl)cn1 ZINC000886056960 592141210 /nfs/dbraw/zinc/14/12/10/592141210.db2.gz ABIKDDLSUMFEAQ-JTQLQIEISA-N 1 0 240.734 2.009 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886062644 592141982 /nfs/dbraw/zinc/14/19/82/592141982.db2.gz TYHBSWWRHNMNLJ-BTKRWWFXSA-N 1 0 235.302 2.366 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC1 ZINC000886104583 592155084 /nfs/dbraw/zinc/15/50/84/592155084.db2.gz GMESBVRYHUABID-ZDUSSCGKSA-N 1 0 234.343 2.082 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1[nH]nc(C)c1C ZINC000886105070 592155361 /nfs/dbraw/zinc/15/53/61/592155361.db2.gz REHZYPZPWHWCFB-GXTWGEPZSA-N 1 0 249.358 2.097 20 30 BEEDRO C=CC[N@H+](C[C@H]1C[C@]12CCOC2)C1CC1 ZINC000886104935 592155388 /nfs/dbraw/zinc/15/53/88/592155388.db2.gz OKRYEJXEWAXLQA-YPMHNXCESA-N 1 0 207.317 2.063 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886116338 592157527 /nfs/dbraw/zinc/15/75/27/592157527.db2.gz GIQNGQFGZAZZNQ-CHWSQXEVSA-N 1 0 209.333 2.452 20 30 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231.339 2.404 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(C)co1 ZINC000886173624 592169202 /nfs/dbraw/zinc/16/92/02/592169202.db2.gz VEUSNHOYNHMHCH-LBPRGKRZSA-N 1 0 221.300 2.106 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCC2(CCC2)CO1 ZINC000886173058 592169757 /nfs/dbraw/zinc/16/97/57/592169757.db2.gz DXAVXCILIOOAOS-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H]1CC[C@H](C2CC2)O1 ZINC000886172966 592170017 /nfs/dbraw/zinc/17/00/17/592170017.db2.gz BFYMHBFYZSOVKI-CHWSQXEVSA-N 1 0 221.344 2.288 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC000886201684 592175084 /nfs/dbraw/zinc/17/50/84/592175084.db2.gz NSYLOESQABGUFV-ZFWWWQNUSA-N 1 0 245.322 2.130 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC000886212709 592177710 /nfs/dbraw/zinc/17/77/10/592177710.db2.gz DJXXRNRXHQSQIS-HNNXBMFYSA-N 1 0 246.329 2.013 20 30 BEEDRO CN(C[C@@H]1CC[C@H](C2CC2)O1)CC(C)(C)C#N ZINC000886217611 592178939 /nfs/dbraw/zinc/17/89/39/592178939.db2.gz DFUFSTLQJLGMMC-QWHCGFSZSA-N 1 0 236.359 2.426 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000886220248 592179480 /nfs/dbraw/zinc/17/94/80/592179480.db2.gz FLDYWYZMOYAECT-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000886243416 592183509 /nfs/dbraw/zinc/18/35/09/592183509.db2.gz YLUASQLUSQNNHB-RFGFWPKPSA-N 1 0 248.370 2.209 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]C2(C3CCC3)CC2)CCC1 ZINC000886267367 592191078 /nfs/dbraw/zinc/19/10/78/592191078.db2.gz LGLQXUAAVGRHPV-CYBMUJFWSA-N 1 0 248.370 2.354 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886297719 592202325 /nfs/dbraw/zinc/20/23/25/592202325.db2.gz YPZIWFIHGPSLST-MCIONIFRSA-N 1 0 221.344 2.311 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000886357687 592215775 /nfs/dbraw/zinc/21/57/75/592215775.db2.gz KILRZIGBNQTKAD-HOCLYGCPSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2F)C1 ZINC000886356228 592216126 /nfs/dbraw/zinc/21/61/26/592216126.db2.gz WKNAYAFAZIJGST-SWLSCSKDSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000886358448 592216625 /nfs/dbraw/zinc/21/66/25/592216625.db2.gz UZJJOMKSXUCZKV-OAHLLOKOSA-N 1 0 245.370 2.399 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC000886358646 592216875 /nfs/dbraw/zinc/21/68/75/592216875.db2.gz YVDSQPSIVDQHTH-LBPRGKRZSA-N 1 0 234.368 2.339 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2ccncc2)C1 ZINC000886357998 592216883 /nfs/dbraw/zinc/21/68/83/592216883.db2.gz OALGZYIYBUDOPU-OLZOCXBDSA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCc2scnc2C)C1 ZINC000886358645 592217437 /nfs/dbraw/zinc/21/74/37/592217437.db2.gz YVDSQPSIVDQHTH-GFCCVEGCSA-N 1 0 234.368 2.339 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)CCC(C)C)C1 ZINC000886363899 592218005 /nfs/dbraw/zinc/21/80/05/592218005.db2.gz HPMZIHOJUQJBPS-ZIAGYGMSSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000886363920 592218062 /nfs/dbraw/zinc/21/80/62/592218062.db2.gz 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PDVNRCHEJSINRP-UHFFFAOYSA-N 1 0 244.338 2.052 20 30 BEEDRO C=CCCC[C@@H](COc1ccccc1)[NH2+]CCO ZINC000886491837 592236637 /nfs/dbraw/zinc/23/66/37/592236637.db2.gz SQCLRXZSRZRBFF-AWEZNQCLSA-N 1 0 249.354 2.372 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886573169 592265299 /nfs/dbraw/zinc/26/52/99/592265299.db2.gz XUWBQDMMECQZPD-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886593986 592270180 /nfs/dbraw/zinc/27/01/80/592270180.db2.gz DDRSWASVBHTBKF-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCC(=O)N1CC[N@@H+](C)C[C@@H]1CC(C)C ZINC000886593254 592271215 /nfs/dbraw/zinc/27/12/15/592271215.db2.gz LQDZISKJBMZVCS-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](CC)CCC=C)C1 ZINC000886661525 592289485 /nfs/dbraw/zinc/28/94/85/592289485.db2.gz WFMNHVXKZBNRHO-HUUCEWRRSA-N 1 0 234.387 2.418 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000886651590 592290328 /nfs/dbraw/zinc/29/03/28/592290328.db2.gz KNQFFAWFEWQHIT-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000886659815 592292783 /nfs/dbraw/zinc/29/27/83/592292783.db2.gz WFLJYQOQHBYFTJ-KBPBESRZSA-N 1 0 246.354 2.336 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C(C)C)C2CC2)C1 ZINC000886660611 592293072 /nfs/dbraw/zinc/29/30/72/592293072.db2.gz BCBZVQUEOODWET-GJZGRUSLSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](CC)CCC)C1 ZINC000886660797 592293181 /nfs/dbraw/zinc/29/31/81/592293181.db2.gz GGGCWUOQXSOXDM-ZIAGYGMSSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)C(C)(C)C)C1 ZINC000886660660 592293313 /nfs/dbraw/zinc/29/33/13/592293313.db2.gz CHCCROVTCXAZDA-QWHCGFSZSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CCCC)C1 ZINC000886659725 592293541 /nfs/dbraw/zinc/29/35/41/592293541.db2.gz UHQUHZRVFTUTFY-ZIAGYGMSSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC000886659942 592293723 /nfs/dbraw/zinc/29/37/23/592293723.db2.gz YZDNSJHKAJJHJU-ZBFHGGJFSA-N 1 0 242.366 2.435 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000886686923 592304192 /nfs/dbraw/zinc/30/41/92/592304192.db2.gz ZXZGEMOHQZJHPU-UONOGXRCSA-N 1 0 243.354 2.458 20 30 BEEDRO CC1(C)CO[C@H](CC[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000886717839 592310839 /nfs/dbraw/zinc/31/08/39/592310839.db2.gz KDNMJVAJKQOKRY-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000886778836 592320767 /nfs/dbraw/zinc/32/07/67/592320767.db2.gz XFJZMHFORRVDPN-QWHCGFSZSA-N 1 0 234.343 2.082 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886798677 592330209 /nfs/dbraw/zinc/33/02/09/592330209.db2.gz FVNHDVYYMUZXBL-SNVBAGLBSA-N 1 0 237.265 2.199 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808580 592335928 /nfs/dbraw/zinc/33/59/28/592335928.db2.gz LLTPKFCLJPRCCU-SNVBAGLBSA-N 1 0 237.265 2.199 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886815673 592336677 /nfs/dbraw/zinc/33/66/77/592336677.db2.gz IAVYRHVRNFCMRI-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886833123 592356647 /nfs/dbraw/zinc/35/66/47/592356647.db2.gz SWVNCQJXNWWPBB-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2F ZINC000886927827 592396659 /nfs/dbraw/zinc/39/66/59/592396659.db2.gz YSEVUKXAXOHPOC-ZIAGYGMSSA-N 1 0 235.302 2.340 20 30 BEEDRO N#CCCOCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000886928583 592397245 /nfs/dbraw/zinc/39/72/45/592397245.db2.gz DUFRWIDFHITQKX-CQSZACIVSA-N 1 0 248.301 2.333 20 30 BEEDRO C#CCC1([NH2+]CCC(C)(C)C#N)CCOCC1 ZINC000887122070 592446035 /nfs/dbraw/zinc/44/60/35/592446035.db2.gz JSXNULSXBUMBQV-UHFFFAOYSA-N 1 0 234.343 2.088 20 30 BEEDRO C#CCC1([NH2+]C/C(Cl)=C/Cl)CCOCC1 ZINC000887123659 592446085 /nfs/dbraw/zinc/44/60/85/592446085.db2.gz ZCXYUCDZKKPJBG-NTMALXAHSA-N 1 0 248.153 2.468 20 30 BEEDRO C#CCC1([NH2+]CC/C=C\C=C)CCOCC1 ZINC000887121101 592446533 /nfs/dbraw/zinc/44/65/33/592446533.db2.gz XBQPVQQXAMLUMN-WAYWQWQTSA-N 1 0 219.328 2.281 20 30 BEEDRO C#CCC1([NH2+]CCC(=C)C)CCOCC1 ZINC000887121951 592446772 /nfs/dbraw/zinc/44/67/72/592446772.db2.gz DMCGNMULBUGIJM-UHFFFAOYSA-N 1 0 207.317 2.115 20 30 BEEDRO C#CCC1([NH2+]CCCC(C)(C)C#N)CCOCC1 ZINC000887124454 592447634 /nfs/dbraw/zinc/44/76/34/592447634.db2.gz FHOGCEPCKHDLHK-UHFFFAOYSA-N 1 0 248.370 2.478 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCF ZINC000887137596 592451028 /nfs/dbraw/zinc/45/10/28/592451028.db2.gz NQWVYNURNAEOIG-LBPRGKRZSA-N 1 0 244.354 2.091 20 30 BEEDRO C[N@H+](CCCF)CCCC1(C#N)CCOCC1 ZINC000887142533 592455375 /nfs/dbraw/zinc/45/53/75/592455375.db2.gz OIVNAQZGTITJNO-UHFFFAOYSA-N 1 0 242.338 2.378 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH2+]C1(C2CC2)CCC1 ZINC000887143979 592461377 /nfs/dbraw/zinc/46/13/77/592461377.db2.gz WGDWROLMWXCORF-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C1(C2CC2)CCC1 ZINC000887145308 592461545 /nfs/dbraw/zinc/46/15/45/592461545.db2.gz XPKZLGQDMDGTEL-LLVKDONJSA-N 1 0 217.316 2.352 20 30 BEEDRO CCNC(NCC[C@@H]1CCCC1(F)F)=[NH+]CC ZINC000887323709 592480788 /nfs/dbraw/zinc/48/07/88/592480788.db2.gz FFHHTGCLWWVGGA-JTQLQIEISA-N 1 0 247.333 2.387 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC1CC1)c1ccc(F)cc1 ZINC000887360501 592489832 /nfs/dbraw/zinc/48/98/32/592489832.db2.gz LWLGOUZDNUMMPP-CYBMUJFWSA-N 1 0 245.301 2.024 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(C)s1 ZINC000104162218 592602886 /nfs/dbraw/zinc/60/28/86/592602886.db2.gz XLPLTIDEYFPNFA-UHFFFAOYSA-N 1 0 225.361 2.261 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000829250465 592707542 /nfs/dbraw/zinc/70/75/42/592707542.db2.gz FZPUNDYMCDFVNP-GXSJLCMTSA-N 1 0 217.740 2.222 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000095230035 608467953 /nfs/dbraw/zinc/46/79/53/608467953.db2.gz HGIGRMOZWMSUOH-SNVBAGLBSA-N 1 0 243.314 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000095230034 608468285 /nfs/dbraw/zinc/46/82/85/608468285.db2.gz HGIGRMOZWMSUOH-JTQLQIEISA-N 1 0 243.314 2.093 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823883373 608490399 /nfs/dbraw/zinc/49/03/99/608490399.db2.gz PIHRBRLJNRHZLD-ZJUUUORDSA-N 1 0 243.314 2.092 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823883370 608490439 /nfs/dbraw/zinc/49/04/39/608490439.db2.gz PIHRBRLJNRHZLD-UWVGGRQHSA-N 1 0 243.314 2.092 20 30 BEEDRO CCCCCCCC[N@@H+]1CCC[C@](O)(CO)C1 ZINC000313661146 634506044 /nfs/dbraw/zinc/50/60/44/634506044.db2.gz QTAHBMOOLRBWEX-CQSZACIVSA-N 1 0 243.391 2.166 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001027658963 634612767 /nfs/dbraw/zinc/61/27/67/634612767.db2.gz YFDADRCQWQOWGZ-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)CNC(=[NH2+])NC/C=C/c1ccccc1 ZINC000178576200 635523944 /nfs/dbraw/zinc/52/39/44/635523944.db2.gz UUKFKCUHQPSZSE-RMKNXTFCSA-N 1 0 231.343 2.260 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000932039633 635541511 /nfs/dbraw/zinc/54/15/11/635541511.db2.gz PRDJUFDAUKKMJH-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCCC[N@H+]1CCOC[C@H]1COC ZINC000933330761 631263159 /nfs/dbraw/zinc/26/31/59/631263159.db2.gz JORHZLIRGPHZLQ-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308357170 631296246 /nfs/dbraw/zinc/29/62/46/631296246.db2.gz DHWYHDIQRPUYLR-OLZOCXBDSA-N 1 0 239.359 2.126 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1F ZINC000335832598 631299222 /nfs/dbraw/zinc/29/92/22/631299222.db2.gz RDVVERLXCFGVMC-NSHDSACASA-N 1 0 247.273 2.055 20 30 BEEDRO C=C(Cl)CN1CC[C@H](OC(F)F)C1 ZINC000308398645 631314842 /nfs/dbraw/zinc/31/48/42/631314842.db2.gz GXKYZBKIVRCEBW-ZETCQYMHSA-N 1 0 211.639 2.052 20 30 BEEDRO CC#CC[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933369681 631331246 /nfs/dbraw/zinc/33/12/46/631331246.db2.gz OGWQZQWWMOVPPO-CQSZACIVSA-N 1 0 215.296 2.297 20 30 BEEDRO N#CCC1(C[NH2+]C2([C@@H]3CCCCO3)CC2)CC1 ZINC000933371153 631334171 /nfs/dbraw/zinc/33/41/71/631334171.db2.gz FLIMLOGZLYDJKA-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](CSC)C1 ZINC000308573873 631338481 /nfs/dbraw/zinc/33/84/81/631338481.db2.gz LPFTZMQSHIBSMK-LBPRGKRZSA-N 1 0 211.374 2.475 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933377266 631342097 /nfs/dbraw/zinc/34/20/97/631342097.db2.gz AZTNTXHPUWSXQM-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO C=C(Cl)CNC(C)(C)C[NH+]1CCCC1 ZINC000308632905 631348180 /nfs/dbraw/zinc/34/81/80/631348180.db2.gz HIPICTFWDXSSFY-UHFFFAOYSA-N 1 0 216.756 2.203 20 30 BEEDRO CC(C)[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000891572975 631397490 /nfs/dbraw/zinc/39/74/90/631397490.db2.gz KAMMXZFIKITQNE-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000308501353 631413256 /nfs/dbraw/zinc/41/32/56/631413256.db2.gz GUIODTZJJKLBGZ-BBBLOLIVSA-N 1 0 217.740 2.388 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+][C@@H]3CC[C@H](C#N)C3)C2)CO1 ZINC000926201911 631414518 /nfs/dbraw/zinc/41/45/18/631414518.db2.gz HRAHAYWMPLKIOQ-LYGKVCMISA-N 1 0 234.343 2.226 20 30 BEEDRO C=C/C=C/CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933643616 631471609 /nfs/dbraw/zinc/47/16/09/631471609.db2.gz AYORUIKVGPPFDI-ONEGZZNKSA-N 1 0 247.338 2.456 20 30 BEEDRO O=C1C=COC2(CC[NH+](CCC3CC3)CC2)C1 ZINC000933644661 631472259 /nfs/dbraw/zinc/47/22/59/631472259.db2.gz SHOHCDQOICHIDA-UHFFFAOYSA-N 1 0 235.327 2.124 20 30 BEEDRO C[C@]12C[N@H+](CCOCCC#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933703898 631489238 /nfs/dbraw/zinc/48/92/38/631489238.db2.gz OUEWOKHQUQLLKJ-LJISPDSOSA-N 1 0 246.354 2.061 20 30 BEEDRO C#CCC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000308803635 631493385 /nfs/dbraw/zinc/49/33/85/631493385.db2.gz ADJKIGORTNNUTH-CYBMUJFWSA-N 1 0 200.285 2.146 20 30 BEEDRO C=CCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000310227025 631493734 /nfs/dbraw/zinc/49/37/34/631493734.db2.gz NZYHUAWMYJZAIO-UHFFFAOYSA-N 1 0 235.283 2.177 20 30 BEEDRO CCC(CC)(CC)[NH2+]CCO[C@@H](C)C#N ZINC000308810206 631527611 /nfs/dbraw/zinc/52/76/11/631527611.db2.gz PZQMDELAFQIHNE-NSHDSACASA-N 1 0 212.337 2.473 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000933872974 631539292 /nfs/dbraw/zinc/53/92/92/631539292.db2.gz ZHIRIBYMRSBVDM-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO CCOCC[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000236905553 635644195 /nfs/dbraw/zinc/64/41/95/635644195.db2.gz KQFUBMKQDZBTFE-LBPRGKRZSA-N 1 0 248.326 2.104 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC(=O)OC)C(C)(C)C ZINC000934026202 631603258 /nfs/dbraw/zinc/60/32/58/631603258.db2.gz MICXHDRFSHIVFD-SNVBAGLBSA-N 1 0 213.321 2.130 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC(=O)OC)C(C)(C)C ZINC000934028782 631627645 /nfs/dbraw/zinc/62/76/45/631627645.db2.gz HYMGIXBVZAUPTI-VIFPVBQESA-N 1 0 233.739 2.306 20 30 BEEDRO COC(=O)C[C@H]([NH2+]CCCCC#N)C(C)(C)C ZINC000934031880 631631932 /nfs/dbraw/zinc/63/19/32/631631932.db2.gz ZIXJKBFTJTZNBF-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO C=CCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000894120992 635675648 /nfs/dbraw/zinc/67/56/48/635675648.db2.gz PCXFOKHAWRMCBJ-UHFFFAOYSA-N 1 0 223.345 2.471 20 30 BEEDRO CC(C)C[C@H]1CCCC(N=NC(N)=[NH2+])C1 ZINC000308768573 631639745 /nfs/dbraw/zinc/63/97/45/631639745.db2.gz PPAZVTKVXJBJNE-SECBINFHSA-N 1 0 210.325 2.062 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248636671 635677768 /nfs/dbraw/zinc/67/77/68/635677768.db2.gz UZMRGJYWVDKUBV-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1cccs1 ZINC000308779836 631647913 /nfs/dbraw/zinc/64/79/13/631647913.db2.gz CFMPBUFWVQVNMM-VHSXEESVSA-N 1 0 224.329 2.327 20 30 BEEDRO C[C@@H](Cc1cccc(F)c1)[NH2+]CCC#N ZINC000162524908 631658179 /nfs/dbraw/zinc/65/81/79/631658179.db2.gz OSTZLEXJZNFZBB-JTQLQIEISA-N 1 0 206.264 2.260 20 30 BEEDRO CCCCN[NH+]=C(C)c1ccc(N)cc1 ZINC000308804742 631667319 /nfs/dbraw/zinc/66/73/19/631667319.db2.gz AMWIZBYILLSBPP-UHFFFAOYSA-N 1 0 205.305 2.383 20 30 BEEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCO[C@@H](C)C#N ZINC000308826896 631672468 /nfs/dbraw/zinc/67/24/68/631672468.db2.gz RPQLBWRGKCPTNF-SDDRHHMPSA-N 1 0 210.321 2.178 20 30 BEEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCO[C@H](C)C#N ZINC000308826894 631674159 /nfs/dbraw/zinc/67/41/59/631674159.db2.gz RPQLBWRGKCPTNF-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000926344199 631719599 /nfs/dbraw/zinc/71/95/99/631719599.db2.gz JCCNQKQEWJUFQE-AWEZNQCLSA-N 1 0 248.370 2.475 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000308919942 631721420 /nfs/dbraw/zinc/72/14/20/631721420.db2.gz GUCBJLXLVQCQSB-UTUOFQBUSA-N 1 0 209.333 2.049 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001022650797 631740650 /nfs/dbraw/zinc/74/06/50/631740650.db2.gz GLKIFDPOSVTPQY-BETUJISGSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1nonc1C ZINC000308972715 631769246 /nfs/dbraw/zinc/76/92/46/631769246.db2.gz FQPOGJPAGMTRDA-RKDXNWHRSA-N 1 0 209.293 2.068 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934386830 631815856 /nfs/dbraw/zinc/81/58/56/631815856.db2.gz SERGBWAXTQLCBO-VXGBXAGGSA-N 1 0 222.332 2.370 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H]1CCN(C(C)(C)C)C1=O ZINC000934460574 631847090 /nfs/dbraw/zinc/84/70/90/631847090.db2.gz QQBDPRYYPCUNHQ-VXGBXAGGSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1oc(C)nc1C ZINC000934460489 631847450 /nfs/dbraw/zinc/84/74/50/631847450.db2.gz JMQGBHIQVCEDIH-LLVKDONJSA-N 1 0 206.289 2.442 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@H]1CCN(C(C)(C)C)C1=O ZINC000934460573 631847576 /nfs/dbraw/zinc/84/75/76/631847576.db2.gz QQBDPRYYPCUNHQ-RYUDHWBXSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@@H]1CC(C)(C)CO1 ZINC000934462590 631853870 /nfs/dbraw/zinc/85/38/70/631853870.db2.gz REDGXPUMANIGGX-RYUDHWBXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCc1c(C)noc1C ZINC000934461575 631857142 /nfs/dbraw/zinc/85/71/42/631857142.db2.gz RQSCWQQVNIUHNW-GFCCVEGCSA-N 1 0 220.316 2.484 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000934461758 631858397 /nfs/dbraw/zinc/85/83/97/631858397.db2.gz ZJYZOGBKCBTBCT-REWJHTLYSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1cc(C(=O)OC)co1 ZINC000934469057 631861969 /nfs/dbraw/zinc/86/19/69/631861969.db2.gz NKNDARGJSBTDQS-NSHDSACASA-N 1 0 235.283 2.217 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)NCCCCCC ZINC000934470480 631865089 /nfs/dbraw/zinc/86/50/89/631865089.db2.gz FQTNDGLPZMFDRW-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC000972209571 631875663 /nfs/dbraw/zinc/87/56/63/631875663.db2.gz KFIRLVWQKKTEJJ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](CCCO)Cc1ccc(OC)cc1 ZINC000934503876 631889423 /nfs/dbraw/zinc/88/94/23/631889423.db2.gz SUWFAQGPNCYFGU-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](OCC)C1CC1 ZINC000934514732 631893888 /nfs/dbraw/zinc/89/38/88/631893888.db2.gz AZWPIMPKLBEALA-KBPBESRZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1Cc1ccccn1 ZINC000934512058 631894785 /nfs/dbraw/zinc/89/47/85/631894785.db2.gz YHZDJDRLLZJNOA-CYBMUJFWSA-N 1 0 200.285 2.069 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1CCC[C@H]1CCOC1 ZINC000934515187 631894923 /nfs/dbraw/zinc/89/49/23/631894923.db2.gz GZVUWBPWOOLBDG-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCCCn1ccnc1C ZINC000934515878 631895994 /nfs/dbraw/zinc/89/59/94/631895994.db2.gz ZSHITKCHQSIUGO-HNNXBMFYSA-N 1 0 245.370 2.459 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1Cc1cc(C)ccn1 ZINC000934516579 631896504 /nfs/dbraw/zinc/89/65/04/631896504.db2.gz LXNJMHROCWVIAB-CQSZACIVSA-N 1 0 214.312 2.378 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC000972275189 631914881 /nfs/dbraw/zinc/91/48/81/631914881.db2.gz JZHQSDXFPNNUFB-ZDUSSCGKSA-N 1 0 248.370 2.061 20 30 BEEDRO CC[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000309189255 631926077 /nfs/dbraw/zinc/92/60/77/631926077.db2.gz PJGPOPUJHPQOHC-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO COCC1(C[N@@H+]2CCC[C@H](C#N)C2)CCC1 ZINC000309285501 631996741 /nfs/dbraw/zinc/99/67/41/631996741.db2.gz ONPXUQAQQGMEIA-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@@H](O)c1ccccn1 ZINC000934648019 632002380 /nfs/dbraw/zinc/00/23/80/632002380.db2.gz UKWQHHPRUJWSSK-CQSZACIVSA-N 1 0 234.343 2.403 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@H]1CCOC1 ZINC000154591517 632094296 /nfs/dbraw/zinc/09/42/96/632094296.db2.gz LWRHPGBDNHYUNT-CQSZACIVSA-N 1 0 247.313 2.146 20 30 BEEDRO C#CC[N@@H+](CCCCCCO)C1CCCC1 ZINC000155907654 632118817 /nfs/dbraw/zinc/11/88/17/632118817.db2.gz ILMQJEKNINHVFA-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000924943392 635796217 /nfs/dbraw/zinc/79/62/17/635796217.db2.gz USINAUMZTLCPDQ-UONOGXRCSA-N 1 0 235.375 2.287 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000309528463 632467868 /nfs/dbraw/zinc/46/78/68/632467868.db2.gz BKVUWTKEMCTKGG-KBPBESRZSA-N 1 0 223.360 2.441 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2COC[C@H]2CC)c1 ZINC000926550514 632483329 /nfs/dbraw/zinc/48/33/29/632483329.db2.gz NCAZHFBMIQZGKI-CABCVRRESA-N 1 0 229.323 2.183 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000162068152 632507144 /nfs/dbraw/zinc/50/71/44/632507144.db2.gz RPFCFGDQDVBICF-RKDXNWHRSA-N 1 0 234.137 2.052 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1nonc1C ZINC000308972708 632602140 /nfs/dbraw/zinc/60/21/40/632602140.db2.gz FQPOGJPAGMTRDA-DTWKUNHWSA-N 1 0 209.293 2.068 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000309065516 632633248 /nfs/dbraw/zinc/63/32/48/632633248.db2.gz ZASUUJVARYZLOS-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1COC(C)(C)OC1 ZINC000309720197 632655813 /nfs/dbraw/zinc/65/58/13/632655813.db2.gz BNSQJOREQDYBDZ-WDEREUQCSA-N 1 0 227.348 2.328 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000972815757 632682006 /nfs/dbraw/zinc/68/20/06/632682006.db2.gz YQYFOPQMVGDUOO-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309937047 632684797 /nfs/dbraw/zinc/68/47/97/632684797.db2.gz AHFXSAZKHCJUED-WCQYABFASA-N 1 0 215.300 2.231 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CCC(=O)NC ZINC000309954085 632686812 /nfs/dbraw/zinc/68/68/12/632686812.db2.gz HNSCVOVKZLHOBW-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)Cc1ccc(F)cc1 ZINC000310244783 632711589 /nfs/dbraw/zinc/71/15/89/632711589.db2.gz VCYAPUPFRLRHEY-NSHDSACASA-N 1 0 236.290 2.186 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001024390386 632734585 /nfs/dbraw/zinc/73/45/85/632734585.db2.gz HEOVCYGDVPUQNU-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000235501284 632767107 /nfs/dbraw/zinc/76/71/07/632767107.db2.gz QXZJRHNUEKLUBE-NSHDSACASA-N 1 0 210.280 2.346 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1ccnnc1 ZINC000926682379 632814043 /nfs/dbraw/zinc/81/40/43/632814043.db2.gz CDIDIJLEBUWOGD-NSHDSACASA-N 1 0 237.372 2.437 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCCCCCO ZINC000177365387 632815083 /nfs/dbraw/zinc/81/50/83/632815083.db2.gz NMMIIZJPFKBVRV-GFCCVEGCSA-N 1 0 212.337 2.163 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000309243404 632835596 /nfs/dbraw/zinc/83/55/96/632835596.db2.gz XOFJZSFUVHCYEU-ZJUUUORDSA-N 1 0 235.249 2.099 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000309243402 632836401 /nfs/dbraw/zinc/83/64/01/632836401.db2.gz XOFJZSFUVHCYEU-UWVGGRQHSA-N 1 0 235.249 2.099 20 30 BEEDRO CCNC(NCC1CCCCC1)=[NH+]CC ZINC000066242404 632859713 /nfs/dbraw/zinc/85/97/13/632859713.db2.gz NYCOSMXCJWFRPP-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO CCNC(NCCC1=CCCCC1)=[NH+]CC ZINC000066242627 632860302 /nfs/dbraw/zinc/86/03/02/632860302.db2.gz HNGDENZOAALYEQ-UHFFFAOYSA-N 1 0 223.364 2.452 20 30 BEEDRO COc1ccc(C[N@H+](C)CCO[C@@H](C)C#N)cc1 ZINC000310734235 632927674 /nfs/dbraw/zinc/92/76/74/632927674.db2.gz YAVADWGWULGQDS-LBPRGKRZSA-N 1 0 248.326 2.056 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCN(CCC)C2)cc1 ZINC000850394719 632975288 /nfs/dbraw/zinc/97/52/88/632975288.db2.gz AQEVCNVOVGQKRZ-INIZCTEOSA-N 1 0 242.366 2.242 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000229680946 632987401 /nfs/dbraw/zinc/98/74/01/632987401.db2.gz HCMRYQDJHAAIGH-CQSZACIVSA-N 1 0 235.302 2.252 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(OCC)c1O ZINC000229893400 632996303 /nfs/dbraw/zinc/99/63/03/632996303.db2.gz VHTQCHFLLAGYCB-LBPRGKRZSA-N 1 0 233.311 2.292 20 30 BEEDRO CO[C@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000310893916 633015797 /nfs/dbraw/zinc/01/57/97/633015797.db2.gz VDJHRAIHPJESML-MRXNPFEDSA-N 1 0 243.350 2.443 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164471903 633077563 /nfs/dbraw/zinc/07/75/63/633077563.db2.gz JJFBETVUTJVIHG-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC[C@H](C)OC ZINC000311180566 633082979 /nfs/dbraw/zinc/08/29/79/633082979.db2.gz XMZRIXNTBIGAOT-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c2c(nn1C)CCC2)C(C)(C)C ZINC000894517296 635904579 /nfs/dbraw/zinc/90/45/79/635904579.db2.gz HMXCOPORVBNXHD-CQSZACIVSA-N 1 0 245.370 2.046 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001018526739 633090392 /nfs/dbraw/zinc/09/03/92/633090392.db2.gz HRNVKTBEQZGYMD-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309482475 633158772 /nfs/dbraw/zinc/15/87/72/633158772.db2.gz DZQPQKPTBCTYSG-GFCCVEGCSA-N 1 0 215.296 2.383 20 30 BEEDRO COc1cccc(NC(=[NH2+])NCc2ccoc2)c1 ZINC000170904430 633177319 /nfs/dbraw/zinc/17/73/19/633177319.db2.gz NLTHRSVPQFWNRO-UHFFFAOYSA-N 1 0 245.282 2.215 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(Cl)nc1 ZINC000309541389 633192003 /nfs/dbraw/zinc/19/20/03/633192003.db2.gz YLKMSVPEIALWQR-LLVKDONJSA-N 1 0 240.734 2.009 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(C(C)C)[nH]1 ZINC000894737991 635919361 /nfs/dbraw/zinc/91/93/61/635919361.db2.gz MCGJTWPKAWLJAQ-JTQLQIEISA-N 1 0 248.326 2.036 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1nccn1C1CC1 ZINC000894738411 635919375 /nfs/dbraw/zinc/91/93/75/635919375.db2.gz NVSYLQVRIQVAIU-OLZOCXBDSA-N 1 0 247.342 2.041 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C)n3ncnc32)CC1 ZINC000926839950 633206530 /nfs/dbraw/zinc/20/65/30/633206530.db2.gz OJKWPKZKXJZMLX-CYDGBPFRSA-N 1 0 244.342 2.066 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CC1)c1ccccc1O ZINC000309606419 633210906 /nfs/dbraw/zinc/21/09/06/633210906.db2.gz YTHWBWNQMICQFM-SNVBAGLBSA-N 1 0 216.284 2.347 20 30 BEEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H](C)C#N ZINC000304200043 635937220 /nfs/dbraw/zinc/93/72/20/635937220.db2.gz BYIKNOVYRTVTFH-SDDRHHMPSA-N 1 0 242.388 2.179 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C1CCC(C)(O)CC1 ZINC000894856186 635954024 /nfs/dbraw/zinc/95/40/24/635954024.db2.gz RPVOOSFXPZOFJW-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cc(OC)ccc1O ZINC000054182752 636048408 /nfs/dbraw/zinc/04/84/08/636048408.db2.gz XPEXEODYEQXYDS-LLVKDONJSA-N 1 0 234.299 2.183 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(N(C)C)cc1 ZINC000191761875 636048841 /nfs/dbraw/zinc/04/88/41/636048841.db2.gz NVFHRZRSDGHOFK-UHFFFAOYSA-N 1 0 248.370 2.387 20 30 BEEDRO C=CCCOCC[NH2+]Cc1nc(C)c(C)s1 ZINC000231819504 636058351 /nfs/dbraw/zinc/05/83/51/636058351.db2.gz IFALIYFFKDVTOF-UHFFFAOYSA-N 1 0 240.372 2.442 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000166514528 636135617 /nfs/dbraw/zinc/13/56/17/636135617.db2.gz OLEZGUIWEPKGHI-MRVPVSSYSA-N 1 0 209.676 2.157 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(OC)cn1 ZINC000892942519 633750760 /nfs/dbraw/zinc/75/07/60/633750760.db2.gz ZVBJWLIDPKZITE-UHFFFAOYSA-N 1 0 238.356 2.099 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)C(C)(C)CO ZINC000926874620 633760688 /nfs/dbraw/zinc/76/06/88/633760688.db2.gz RNQJTGYOLLICKT-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H]1COC[C@H](C)C1[NH2+]CC1(C#N)CCCC1 ZINC000926875350 633766909 /nfs/dbraw/zinc/76/69/09/633766909.db2.gz ZBAOPJIYHMUXHC-RYUDHWBXSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(Cl)CN1C[C@H](C[NH3+])Cc2ccccc21 ZINC000328574170 633779126 /nfs/dbraw/zinc/77/91/26/633779126.db2.gz WODOMHDIDOXGKT-NSHDSACASA-N 1 0 236.746 2.377 20 30 BEEDRO C#CCCC[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000893091026 633827726 /nfs/dbraw/zinc/82/77/26/633827726.db2.gz BMDKNKQKGIJCPO-UWVGGRQHSA-N 1 0 230.149 2.163 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309859302 633866859 /nfs/dbraw/zinc/86/68/59/633866859.db2.gz LTFVVUIOLBGZGC-NSHDSACASA-N 1 0 240.734 2.070 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)Cc1ccccn1 ZINC000925525351 633902477 /nfs/dbraw/zinc/90/24/77/633902477.db2.gz AGZDNAVVSYAREL-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOC2CCC2)C1 ZINC000309543937 633949648 /nfs/dbraw/zinc/94/96/48/633949648.db2.gz ZARRXBRJOVZMKA-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccoc1 ZINC000309690729 633989065 /nfs/dbraw/zinc/98/90/65/633989065.db2.gz PQECCPWWYFUZCG-CHWSQXEVSA-N 1 0 221.300 2.350 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ocnc2C)CC1 ZINC000895478037 636150735 /nfs/dbraw/zinc/15/07/35/636150735.db2.gz UXYGAHXLDRPBNQ-HAQNSBGRSA-N 1 0 218.300 2.265 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000895490611 636151113 /nfs/dbraw/zinc/15/11/13/636151113.db2.gz RIAVHACCURWJOC-DZGCQCFKSA-N 1 0 231.339 2.072 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000895490615 636151375 /nfs/dbraw/zinc/15/13/75/636151375.db2.gz RIAVHACCURWJOC-ZFWWWQNUSA-N 1 0 231.339 2.072 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)N(CC)CC ZINC000309930573 634048093 /nfs/dbraw/zinc/04/80/93/634048093.db2.gz XSWZHESVIWBZJY-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C#CCCC[NH2+]C(CC)(CC)CC(=O)OC ZINC000310029659 634089563 /nfs/dbraw/zinc/08/95/63/634089563.db2.gz QSOWLNJMZUNUJM-UHFFFAOYSA-N 1 0 225.332 2.111 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCCCSC ZINC000187050668 634092988 /nfs/dbraw/zinc/09/29/88/634092988.db2.gz YQSMYHKIGAQGOK-UHFFFAOYSA-N 1 0 229.393 2.000 20 30 BEEDRO C=CC[N@@H+](CCO[C@@H]1CC1(F)F)C1CC1 ZINC000660169275 634097090 /nfs/dbraw/zinc/09/70/90/634097090.db2.gz GIDGPNDSOVNHFS-SNVBAGLBSA-N 1 0 217.259 2.061 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCC(NC(=O)CC)CC1 ZINC001026433197 634154024 /nfs/dbraw/zinc/15/40/24/634154024.db2.gz GQXDWNLXWKMFSY-UHFFFAOYSA-N 1 0 244.766 2.166 20 30 BEEDRO C=C(C)COCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925617226 634166655 /nfs/dbraw/zinc/16/66/55/634166655.db2.gz BVLPXNPYUBDJHM-HIFRSBDPSA-N 1 0 248.370 2.257 20 30 BEEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC#Cc1ccccc1 ZINC000931044659 634198737 /nfs/dbraw/zinc/19/87/37/634198737.db2.gz VKTODOFHICUODB-HOCLYGCPSA-N 1 0 242.366 2.063 20 30 BEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC#Cc1ccccc1 ZINC000931044661 634198801 /nfs/dbraw/zinc/19/88/01/634198801.db2.gz VKTODOFHICUODB-ZBFHGGJFSA-N 1 0 242.366 2.063 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@H]3COC[C@H]3C2)CC1 ZINC000931060265 634206791 /nfs/dbraw/zinc/20/67/91/634206791.db2.gz SFZAQKALERZBDL-PFSRBDOWSA-N 1 0 248.370 2.285 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000191776086 634222757 /nfs/dbraw/zinc/22/27/57/634222757.db2.gz HOXDDIKCTRZEQF-OLZOCXBDSA-N 1 0 229.364 2.038 20 30 BEEDRO C[C@@H]1NCCC[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000925670936 634253610 /nfs/dbraw/zinc/25/36/10/634253610.db2.gz AWSINOLQQRCJBB-NWDGAFQWSA-N 1 0 223.364 2.046 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)C(C)(C)CC)CC1 ZINC000949973959 634274465 /nfs/dbraw/zinc/27/44/65/634274465.db2.gz SNGXGYCBZIFBGE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CC(C)NC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000104158823 634308918 /nfs/dbraw/zinc/30/89/18/634308918.db2.gz WKICTDOKEDYOKF-UHFFFAOYSA-N 1 0 245.370 2.421 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1(C)OCCCO1 ZINC000190662115 634328011 /nfs/dbraw/zinc/32/80/11/634328011.db2.gz DUUZVMUDQUEUNN-GFCCVEGCSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000162773262 634354895 /nfs/dbraw/zinc/35/48/95/634354895.db2.gz IVPWLEIACMNYSX-QWHCGFSZSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000162773643 634354742 /nfs/dbraw/zinc/35/47/42/634354742.db2.gz IVPWLEIACMNYSX-OLZOCXBDSA-N 1 0 239.359 2.269 20 30 BEEDRO C[NH+](C)C1(C)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000931353151 634369893 /nfs/dbraw/zinc/36/98/93/634369893.db2.gz ZYPJZZQHZABSEP-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)O[C@H]1C[C@H]([NH2+]C[C@H](C)C#N)C1(C)C ZINC000893545635 635132214 /nfs/dbraw/zinc/13/22/14/635132214.db2.gz VAOXIIDNUHDOJK-WOPDTQHZSA-N 1 0 224.348 2.328 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]C[C@@H](C)C#N)C[C@@H]1OC ZINC000893545644 635133086 /nfs/dbraw/zinc/13/30/86/635133086.db2.gz VIBMGAQCGDZUDI-TUAOUCFPSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C1CC=CC1 ZINC001027798542 635155034 /nfs/dbraw/zinc/15/50/34/635155034.db2.gz JYNVLVXVOQOABO-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000893606423 635226721 /nfs/dbraw/zinc/22/67/21/635226721.db2.gz PCUHLMBRFYVCKB-GSZZWUTPSA-N 1 0 234.343 2.082 20 30 BEEDRO C=C(C)CC[N@H+]1CCCN(C(=O)CCC)CC1 ZINC000980624249 635244422 /nfs/dbraw/zinc/24/44/22/635244422.db2.gz KVKPZCVJMDTHMH-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCC[C@H](NC(=O)CC)C1 ZINC000980829000 635286835 /nfs/dbraw/zinc/28/68/35/635286835.db2.gz GMRQTNSWGYXGLK-QWRGUYRKSA-N 1 0 244.766 2.166 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccoc2)C1 ZINC000980913494 635298387 /nfs/dbraw/zinc/29/83/87/635298387.db2.gz BYFWSPHHXAFAHW-QWHCGFSZSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CCC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccco1 ZINC000925784362 635299380 /nfs/dbraw/zinc/29/93/80/635299380.db2.gz MZKWEBAJJHSMLR-FRRDWIJNSA-N 1 0 234.343 2.484 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000980922361 635301494 /nfs/dbraw/zinc/30/14/94/635301494.db2.gz RWTKDYBQBNHRCE-STQMWFEESA-N 1 0 238.375 2.236 20 30 BEEDRO CC(C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000260786500 635362443 /nfs/dbraw/zinc/36/24/43/635362443.db2.gz TZGSSCGWRJYYAT-CYBMUJFWSA-N 1 0 200.285 2.023 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H]1CCCO1 ZINC000883189187 636181484 /nfs/dbraw/zinc/18/14/84/636181484.db2.gz ABQHLFZYNRDDTJ-IHRRRGAJSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CC2CCC1CC2 ZINC000320300969 636206972 /nfs/dbraw/zinc/20/69/72/636206972.db2.gz SPEJVNPEPKHZOX-IFWUJCSASA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCC12CCC2 ZINC000320334529 636227056 /nfs/dbraw/zinc/22/70/56/636227056.db2.gz ZVTGQLIPJMODHI-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)CCOC(C)C)C(C)C ZINC000788271618 636256023 /nfs/dbraw/zinc/25/60/23/636256023.db2.gz OHRFEIXESXFINO-CYBMUJFWSA-N 1 0 229.364 2.059 20 30 BEEDRO CCCCNC(=[NH2+])NCC[C@H](OCC)C(C)C ZINC000304658712 636324110 /nfs/dbraw/zinc/32/41/10/636324110.db2.gz JCSGJLGWAUOTEZ-LBPRGKRZSA-N 1 0 243.395 2.142 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CCC[C@H]1C ZINC000925174560 636353017 /nfs/dbraw/zinc/35/30/17/636353017.db2.gz AYEIYXTVOMMMNU-QWHCGFSZSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@@H](C)C1 ZINC000925197003 636376442 /nfs/dbraw/zinc/37/64/42/636376442.db2.gz JTRJSANGLTXVQD-CHWSQXEVSA-N 1 0 237.391 2.246 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]Cc1ccn(C)c1 ZINC000925210750 636390663 /nfs/dbraw/zinc/39/06/63/636390663.db2.gz GRDXEQIZCSHTPK-NSHDSACASA-N 1 0 219.332 2.443 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)C)[C@@H]1C ZINC000985975085 636459813 /nfs/dbraw/zinc/45/98/13/636459813.db2.gz ZPZHHMTWURSJTQ-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)=C2CCC2)[C@H]1C ZINC000986266415 636552635 /nfs/dbraw/zinc/55/26/35/636552635.db2.gz MODPHAICPHXXRW-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO CC1(C[NH2+]CCNc2ccc(C#N)cn2)CCC1 ZINC000897397241 636577335 /nfs/dbraw/zinc/57/73/35/636577335.db2.gz XYVWBQQYOKMREP-UHFFFAOYSA-N 1 0 244.342 2.145 20 30 BEEDRO CCC[C@H](C)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897396372 636577789 /nfs/dbraw/zinc/57/77/89/636577789.db2.gz JJWIFAZCOIEEHB-LBPRGKRZSA-N 1 0 246.358 2.391 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000862550505 636632273 /nfs/dbraw/zinc/63/22/73/636632273.db2.gz MOGKJSRUFXKHHH-MGPQQGTHSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000321503902 636649025 /nfs/dbraw/zinc/64/90/25/636649025.db2.gz VDZKUJFOCCMGCA-FZMZJTMJSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC)C1 ZINC000987839149 636669974 /nfs/dbraw/zinc/66/99/74/636669974.db2.gz HHMQKYIEPDOGPW-GHMZBOCLSA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccoc2)C1 ZINC000988072907 636677274 /nfs/dbraw/zinc/67/72/74/636677274.db2.gz YBHZJTZRVSJANR-AAEUAGOBSA-N 1 0 248.326 2.048 20 30 BEEDRO C#CCCC[NH2+]Cc1ncc(Cl)s1 ZINC000225360356 636683942 /nfs/dbraw/zinc/68/39/42/636683942.db2.gz XQJYFXGJTJRZOH-UHFFFAOYSA-N 1 0 214.721 2.300 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@H](C3CC3)O2)C1 ZINC000897506171 636730389 /nfs/dbraw/zinc/73/03/89/636730389.db2.gz VUEQWZGKQCPLQL-YXCITZCRSA-N 1 0 234.343 2.226 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000897506170 636731053 /nfs/dbraw/zinc/73/10/53/636731053.db2.gz VUEQWZGKQCPLQL-VZZFWQQMSA-N 1 0 234.343 2.226 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C2=CCCC2)C1 ZINC000988582295 636740848 /nfs/dbraw/zinc/74/08/48/636740848.db2.gz AXPCJJWQQUXGBV-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000929110432 636805957 /nfs/dbraw/zinc/80/59/57/636805957.db2.gz YCHLRKVPZGJOLH-PNESKVBLSA-N 1 0 222.332 2.037 20 30 BEEDRO C[NH+]=C(NCc1ccc(OC)cc1)NC(C)(C)C ZINC000264160899 636808639 /nfs/dbraw/zinc/80/86/39/636808639.db2.gz UZGZPLDWACOKGZ-UHFFFAOYSA-N 1 0 249.358 2.159 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000929123146 636812328 /nfs/dbraw/zinc/81/23/28/636812328.db2.gz URIHIMHOPBTYTI-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000929123147 636813268 /nfs/dbraw/zinc/81/32/68/636813268.db2.gz URIHIMHOPBTYTI-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@H](OCC)C12CCCCC2 ZINC000083532216 636872286 /nfs/dbraw/zinc/87/22/86/636872286.db2.gz LVLBYXKIAJNTAR-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCCC2 ZINC000083532217 636872865 /nfs/dbraw/zinc/87/28/65/636872865.db2.gz LVLBYXKIAJNTAR-CHWSQXEVSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@]2(NC(=O)CC)CCC[C@@H]12 ZINC000989875640 636889770 /nfs/dbraw/zinc/88/97/70/636889770.db2.gz ASFWGRSFURYUIR-OCCSQVGLSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@]2(NC(C)=O)CCC[C@@H]12 ZINC000989877267 636891589 /nfs/dbraw/zinc/89/15/89/636891589.db2.gz OHNXGJZRZHPVKB-KGLIPLIRSA-N 1 0 236.359 2.086 20 30 BEEDRO CN(CC[NH+](C)C)c1ccc(C#N)cc1Cl ZINC000110895360 636898614 /nfs/dbraw/zinc/89/86/14/636898614.db2.gz XFHSMHPTNPPKNY-UHFFFAOYSA-N 1 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MVUXVDATCGGUGW-LFYBBSHMSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)ccc1NC ZINC000902644784 637317011 /nfs/dbraw/zinc/31/70/11/637317011.db2.gz PXIHIPPUHXNSCW-CQSZACIVSA-N 1 0 248.370 2.453 20 30 BEEDRO CO[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000903180369 637349719 /nfs/dbraw/zinc/34/97/19/637349719.db2.gz ZXLMPIAJXBUFQI-CYDGBPFRSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1OC ZINC000903167734 637350913 /nfs/dbraw/zinc/35/09/13/637350913.db2.gz OVPWBMIMWQGVPM-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO CO[C@H]1CCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903167157 637351474 /nfs/dbraw/zinc/35/14/74/637351474.db2.gz HPDNWZKGRRSRDP-HOAMVYINSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@@H](CC)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000904492911 637421388 /nfs/dbraw/zinc/42/13/88/637421388.db2.gz FUDSRLAQSXPQAP-JTQLQIEISA-N 1 0 235.331 2.291 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@H]([NH3+])C(C)C)no1 ZINC000904498935 637431621 /nfs/dbraw/zinc/43/16/21/637431621.db2.gz FGBFRKNVCQWRJU-MWLCHTKSSA-N 1 0 223.320 2.480 20 30 BEEDRO C[N@@H+]1CC[C@@H]1C/N=C/c1cc(Cl)ccc1O ZINC000905002476 637537564 /nfs/dbraw/zinc/53/75/64/637537564.db2.gz IPWZRZGBWSIYRH-LLUUXILJSA-N 1 0 238.718 2.169 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905274427 637731233 /nfs/dbraw/zinc/73/12/33/637731233.db2.gz SCISGPOFXRUERY-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO C=C(CC)C[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905279508 637735730 /nfs/dbraw/zinc/73/57/30/637735730.db2.gz JRUQQFSALBRSTE-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO C=C[C@@](C)(CC)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905310702 637766538 /nfs/dbraw/zinc/76/65/38/637766538.db2.gz HRAJHRQIXOQMNW-AWEZNQCLSA-N 1 0 249.358 2.465 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@]1(C)CC1(C)C ZINC000905425069 637811987 /nfs/dbraw/zinc/81/19/87/637811987.db2.gz MSIJCIGJWMNIMD-BXUZGUMPSA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000905473019 637832328 /nfs/dbraw/zinc/83/23/28/637832328.db2.gz KSYYJQCURHIONQ-PEBLQZBPSA-N 1 0 231.343 2.312 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C2CCC=CCC2)CC1 ZINC000905493723 637836898 /nfs/dbraw/zinc/83/68/98/637836898.db2.gz XDUQWOVTAOEZEJ-ZDUSSCGKSA-N 1 0 234.343 2.130 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H](O)CCOCC)CC1 ZINC000905563435 637848898 /nfs/dbraw/zinc/84/88/98/637848898.db2.gz DSDNGDFBBHNZLA-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCC1CC=CC1 ZINC000905579253 637854267 /nfs/dbraw/zinc/85/42/67/637854267.db2.gz LKSNZENMTUTNSY-ZDUSSCGKSA-N 1 0 236.359 2.233 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CC2CCC=CCC2)CC1 ZINC000905621930 637860751 /nfs/dbraw/zinc/86/07/51/637860751.db2.gz ZCMPWRGJSDLCAC-AWEZNQCLSA-N 1 0 248.370 2.377 20 30 BEEDRO C#CCN(CN1C(=O)[C@H]2CCCCC[C@@H]21)C(C)C ZINC000905747820 637897485 /nfs/dbraw/zinc/89/74/85/637897485.db2.gz DRNQIECHXYTFRL-KBPBESRZSA-N 1 0 248.370 2.079 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCON=C[C@@H]1CCCO1 ZINC000906507933 638178505 /nfs/dbraw/zinc/17/85/05/638178505.db2.gz MGHJAJKICJMQCD-OLZOCXBDSA-N 1 0 240.347 2.042 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCn1ccc(C#N)c1 ZINC000906503077 638196542 /nfs/dbraw/zinc/19/65/42/638196542.db2.gz NFIZCROGYQHHMJ-CYBMUJFWSA-N 1 0 217.316 2.234 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000906626477 638229453 /nfs/dbraw/zinc/22/94/53/638229453.db2.gz DXAHCQQWSZHANQ-MNXVOIDGSA-N 1 0 238.375 2.173 20 30 BEEDRO C=CCCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907852241 638487652 /nfs/dbraw/zinc/48/76/52/638487652.db2.gz IATOFXNQHWHOTO-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1ccncc1CCC[NH2+]CC(C)(C)C#N ZINC000348225983 638590567 /nfs/dbraw/zinc/59/05/67/638590567.db2.gz YDJFBRPIQNJFQF-UHFFFAOYSA-N 1 0 231.343 2.462 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC1(CC)CCCC1 ZINC000908557115 639013250 /nfs/dbraw/zinc/01/32/50/639013250.db2.gz NHCYQSOZSYZTTQ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C#N)C1(C)C 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ZINC000930367194 639731158 /nfs/dbraw/zinc/73/11/58/639731158.db2.gz BQAFJAKYYPEUOK-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000930367192 639732606 /nfs/dbraw/zinc/73/26/06/639732606.db2.gz BQAFJAKYYPEUOK-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H]1C[C@@H](c2ccccc2)[N@H+](C[C@H](O)CC#N)C1 ZINC000930474071 639773301 /nfs/dbraw/zinc/77/33/01/639773301.db2.gz GVJBWVSLDLZBSZ-YUELXQCFSA-N 1 0 244.338 2.344 20 30 BEEDRO COC[C@@H](C[N@H+](C)CC(C)(C)C#N)C(C)C ZINC000930571322 639812617 /nfs/dbraw/zinc/81/26/17/639812617.db2.gz ZLPSDVZRJFPRAW-GFCCVEGCSA-N 1 0 226.364 2.387 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C[NH3+])CC(C)C ZINC000911819273 639835628 /nfs/dbraw/zinc/83/56/28/639835628.db2.gz OTEDJJNHSVHXIQ-NEPJUHHUSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(F)nc1 ZINC000930638619 639837520 /nfs/dbraw/zinc/83/75/20/639837520.db2.gz IWGWIDCMUXCIJF-WCQGTBRESA-N 1 0 236.290 2.215 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000911824008 639837771 /nfs/dbraw/zinc/83/77/71/639837771.db2.gz LTZCENGNDIMSKU-YNEHKIRRSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@](C)(C[NH3+])C(C)C ZINC000911830849 639842574 /nfs/dbraw/zinc/84/25/74/639842574.db2.gz HZZKLWWEKRUPHG-DGCLKSJQSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911833030 639844083 /nfs/dbraw/zinc/84/40/83/639844083.db2.gz XZEXQAAZPASTJC-OCCSQVGLSA-N 1 0 240.391 2.468 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000930692601 639862011 /nfs/dbraw/zinc/86/20/11/639862011.db2.gz HXMGAXYNFGNACN-KGLIPLIRSA-N 1 0 232.327 2.310 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOC1CCSCC1 ZINC000930694156 639863773 /nfs/dbraw/zinc/86/37/73/639863773.db2.gz YDMPSHFZHVPPNQ-NSHDSACASA-N 1 0 242.388 2.180 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C[NH3+])CCCC ZINC000911882793 639867138 /nfs/dbraw/zinc/86/71/38/639867138.db2.gz WVPMTVXHAPRPKT-NWDGAFQWSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000911895600 639873496 /nfs/dbraw/zinc/87/34/96/639873496.db2.gz VXZMZMNIQPXAQU-AWEZNQCLSA-N 1 0 246.354 2.029 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000911896780 639874953 /nfs/dbraw/zinc/87/49/53/639874953.db2.gz SMAGZTSNSMVUPT-CYBMUJFWSA-N 1 0 238.375 2.461 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(C)(C)C ZINC000911914243 639890832 /nfs/dbraw/zinc/89/08/32/639890832.db2.gz IKELXCDNGKWZJX-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2[nH]c(C)nc2C)C1 ZINC000930815308 639910794 /nfs/dbraw/zinc/91/07/94/639910794.db2.gz CCGYQCHMHVIYIQ-ZDUSSCGKSA-N 1 0 231.343 2.262 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ncc(C)s1 ZINC000911972824 639913915 /nfs/dbraw/zinc/91/39/15/639913915.db2.gz ZHYCTHMSWOTNTN-VIFPVBQESA-N 1 0 239.344 2.074 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](COC)C(C)C)CC1 ZINC000930820894 639922898 /nfs/dbraw/zinc/92/28/98/639922898.db2.gz IFPOPEXPDWLHFL-AWEZNQCLSA-N 1 0 223.360 2.250 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)c2snnc2C)CC1 ZINC000930820775 639923149 /nfs/dbraw/zinc/92/31/49/639923149.db2.gz GUHJIZANGDREDX-JTQLQIEISA-N 1 0 235.356 2.253 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC000930885073 639971573 /nfs/dbraw/zinc/97/15/73/639971573.db2.gz JNIHAOFOUFMOHR-KBPBESRZSA-N 1 0 223.360 2.250 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)nnc1C)[C@H](C)COC ZINC000930933762 639995371 /nfs/dbraw/zinc/99/53/71/639995371.db2.gz ZKQBMTBJUJKZPZ-GFCCVEGCSA-N 1 0 249.358 2.116 20 30 BEEDRO C=CC[N@@H+](C/C(C)=C/C(=O)OC)C(C)(C)C ZINC000931016502 640021562 /nfs/dbraw/zinc/02/15/62/640021562.db2.gz FLWLUKCIYDGXDT-PKNBQFBNSA-N 1 0 225.332 2.392 20 30 BEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1[C@H](C#N)c1ccccc1 ZINC000931038786 640034070 /nfs/dbraw/zinc/03/40/70/640034070.db2.gz UIGXISYTZREPFW-BPLDGKMQSA-N 1 0 243.354 2.276 20 30 BEEDRO C[C@H]1[C@H](N(C)C)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931040287 640036487 /nfs/dbraw/zinc/03/64/87/640036487.db2.gz YIDDITKIUJHGNF-VXGQWTEUSA-N 1 0 249.402 2.341 20 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CS[C@@H](C)CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506633 640101022 /nfs/dbraw/zinc/10/10/22/640101022.db2.gz RURILHZKOFPOJR-VIFPVBQESA-N 1 0 243.420 2.234 20 30 BEEDRO CCC[NH+]=C(NC[C@H](C)SC)NC(C)(C)C ZINC000912509330 640101273 /nfs/dbraw/zinc/10/12/73/640101273.db2.gz CHCIGKQRDXYHTJ-JTQLQIEISA-N 1 0 245.436 2.482 20 30 BEEDRO CC(C)(C)NC(NC1CC1)=[NH+]CC1CCC1 ZINC000912507077 640101346 /nfs/dbraw/zinc/10/13/46/640101346.db2.gz UTTROIBCYZCCEJ-UHFFFAOYSA-N 1 0 223.364 2.283 20 30 BEEDRO C=C(C)CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509925 640101997 /nfs/dbraw/zinc/10/19/97/640101997.db2.gz UVUWOTMAXWPMHM-UHFFFAOYSA-N 1 0 211.353 2.305 20 30 BEEDRO C=CC[C@H](C)[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316007 640155358 /nfs/dbraw/zinc/15/53/58/640155358.db2.gz FTJLKABIEYLUOY-IHRRRGAJSA-N 1 0 222.376 2.225 20 30 BEEDRO CN1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C#N)CC1 ZINC000931390344 640173874 /nfs/dbraw/zinc/17/38/74/640173874.db2.gz IGVYOWQOXDONLN-ZMYVRHLSSA-N 1 0 247.386 2.095 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1ccccc1C ZINC000912830184 640216716 /nfs/dbraw/zinc/21/67/16/640216716.db2.gz KMAITPCVWUFEEY-UHFFFAOYSA-N 1 0 246.354 2.466 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000931660500 640307575 /nfs/dbraw/zinc/30/75/75/640307575.db2.gz HMEJABBMDIHCLN-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000931693769 640321415 /nfs/dbraw/zinc/32/14/15/640321415.db2.gz YVTFEIYFVRJCFE-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)c2snnc2C)C1 ZINC000931714836 640331741 /nfs/dbraw/zinc/33/17/41/640331741.db2.gz KOHVTHRKOAWFEN-GHMZBOCLSA-N 1 0 235.356 2.253 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)c2cccc(C)c2)C1 ZINC000931715355 640334829 /nfs/dbraw/zinc/33/48/29/640334829.db2.gz TZIFPMDLTITODM-HOCLYGCPSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CCC1([NH2+]CC2CC(C)C2)CCOCC1 ZINC000931761995 640354828 /nfs/dbraw/zinc/35/48/28/640354828.db2.gz VTDZCGSDYXNOHK-UHFFFAOYSA-N 1 0 221.344 2.195 20 30 BEEDRO CC[C@@H](CO)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000931766743 640358797 /nfs/dbraw/zinc/35/87/97/640358797.db2.gz FSDHHSSAWVFUDE-ZDUSSCGKSA-N 1 0 237.730 2.052 20 30 BEEDRO CC[C@@H](CO)[NH2+]CC#Cc1ccccc1Cl ZINC000931772362 640364549 /nfs/dbraw/zinc/36/45/49/640364549.db2.gz ODHKDTBMECJDRV-LBPRGKRZSA-N 1 0 237.730 2.052 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931941097 640398503 /nfs/dbraw/zinc/39/85/03/640398503.db2.gz OHFSAGGBWXQESS-LLVKDONJSA-N 1 0 221.304 2.134 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932134034 640437423 /nfs/dbraw/zinc/43/74/23/640437423.db2.gz WCCHWQGTCDBGEE-ZIAGYGMSSA-N 1 0 245.370 2.401 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C=CCC2)CC1 ZINC000932141394 640438527 /nfs/dbraw/zinc/43/85/27/640438527.db2.gz XXWHKHOBSWSONP-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](CCCC2CCOCC2)C1 ZINC000932148439 640440168 /nfs/dbraw/zinc/44/01/68/640440168.db2.gz NQSVRVUYSYPRKA-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO N#CCCN1CCC[C@@H](Cc2nccs2)C1 ZINC000932207853 640452992 /nfs/dbraw/zinc/45/29/92/640452992.db2.gz UGHWKHYBMIVFAM-NSHDSACASA-N 1 0 235.356 2.311 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H]1c1ccnn1C ZINC000932262855 640462971 /nfs/dbraw/zinc/46/29/71/640462971.db2.gz RWVNZPBASOGZJC-LBPRGKRZSA-N 1 0 205.305 2.133 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)C(C)C ZINC000932388124 640499819 /nfs/dbraw/zinc/49/98/19/640499819.db2.gz VNGLDLBEGALGFY-QWHCGFSZSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC[C@@H](C2CC2)O1)C(C)C ZINC000932381710 640507674 /nfs/dbraw/zinc/50/76/74/640507674.db2.gz BKWRNWWTIIZQJN-KBPBESRZSA-N 1 0 221.344 2.288 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC(C)(C)CO1)C(C)C ZINC000932383188 640509694 /nfs/dbraw/zinc/50/96/94/640509694.db2.gz HBWOQCMVCHVBOC-LBPRGKRZSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)c1cccc(C)c1)C(C)C ZINC000932383594 640510003 /nfs/dbraw/zinc/51/00/03/640510003.db2.gz INPBDEQRHMOSBL-OAHLLOKOSA-N 1 0 231.339 2.372 20 30 BEEDRO 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711502260 /nfs/dbraw/zinc/50/22/60/711502260.db2.gz WFPZTPXRHWPUEI-IEBDPFPHSA-N 1 0 216.756 2.044 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)CC(C)(C)O ZINC000929655716 641389056 /nfs/dbraw/zinc/38/90/56/641389056.db2.gz HOOFYVYJEZVKLU-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000935437397 641408194 /nfs/dbraw/zinc/40/81/94/641408194.db2.gz ANYYVADMTDBCRH-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](O)C[N@H+](C)CCCCC1(C#N)CCC1 ZINC000929707106 641411027 /nfs/dbraw/zinc/41/10/27/641411027.db2.gz UHPYHHNARWKROZ-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C#CC[N@@H+](CC#CC)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929720648 641420230 /nfs/dbraw/zinc/42/02/30/641420230.db2.gz QRPAQIFKPRANIP-CLLJXQQHSA-N 1 0 237.293 2.236 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)c1ccccc1F ZINC000313477018 641565013 /nfs/dbraw/zinc/56/50/13/641565013.db2.gz BCJIAOHAEOCRDK-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO CC(C)CNC(=[NH2+])NCCCSCC(C)C ZINC000158336369 641631928 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/nfs/dbraw/zinc/76/69/42/641766942.db2.gz AJSXBFJOVOEEJT-TZMCWYRMSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](N(C)C(=O)CC)CC1 ZINC000948108365 641773807 /nfs/dbraw/zinc/77/38/07/641773807.db2.gz CGTKSTGYCMKQNK-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(F)nc1 ZINC000189144943 641792336 /nfs/dbraw/zinc/79/23/36/641792336.db2.gz RTMOTWIRYIVABK-UHFFFAOYSA-N 1 0 206.264 2.114 20 30 BEEDRO CC(C)=CCC[C@H](C)CCN=NC(N)=[NH2+] ZINC000915050638 641793831 /nfs/dbraw/zinc/79/38/31/641793831.db2.gz DENGXEOBDWNYIY-JTQLQIEISA-N 1 0 210.325 2.228 20 30 BEEDRO CCC(C)(C)CNC(NCc1ccco1)=[NH+]C ZINC000190527340 641869718 /nfs/dbraw/zinc/86/97/18/641869718.db2.gz WHJTZOGBWFSLQK-UHFFFAOYSA-N 1 0 237.347 2.381 20 30 BEEDRO CCC(CC)=NNCC[NH+]1CCCCC1 ZINC000915974445 641890770 /nfs/dbraw/zinc/89/07/70/641890770.db2.gz UQQDZLNOYHTDBR-UHFFFAOYSA-N 1 0 211.353 2.238 20 30 BEEDRO CC(CC[NH+](C)C)N=Nc1ccc(C#N)cc1 ZINC000915961554 641891968 /nfs/dbraw/zinc/89/19/68/641891968.db2.gz HFRSAQXIKNSTRW-UHFFFAOYSA-N 1 0 230.315 2.298 20 30 BEEDRO CCCN[NH+]=Cc1cnc(N(CC)CC)s1 ZINC000915966092 641894527 /nfs/dbraw/zinc/89/45/27/641894527.db2.gz WXDUBEMQXCYCOH-UHFFFAOYSA-N 1 0 240.376 2.323 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C1(C(N)=O)CC1 ZINC000191481796 641922677 /nfs/dbraw/zinc/92/26/77/641922677.db2.gz XAZGPYHLVFUJNT-LLVKDONJSA-N 1 0 226.364 2.343 20 30 BEEDRO Cc1nnc(C)n1[NH+]=CC1CCCCC1 ZINC000916350167 641928549 /nfs/dbraw/zinc/92/85/49/641928549.db2.gz CUDODVWLIWSYNK-UHFFFAOYSA-N 1 0 206.293 2.309 20 30 BEEDRO CC(C)CN[NH+]=Cc1ccc(N(C)C)cc1 ZINC000916366857 641933942 /nfs/dbraw/zinc/93/39/42/641933942.db2.gz ZJIFUUROQYCBJC-UHFFFAOYSA-N 1 0 219.332 2.332 20 30 BEEDRO CCC(CC)(C[NH2+]CCC#N)SC ZINC000232871338 642007933 /nfs/dbraw/zinc/00/79/33/642007933.db2.gz WFYLJPFOULGHSV-UHFFFAOYSA-N 1 0 200.351 2.411 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@H](C#C)C(C)C ZINC000306026977 642316756 /nfs/dbraw/zinc/31/67/56/642316756.db2.gz ZMECVBBQBLMVIZ-OAHLLOKOSA-N 1 0 241.334 2.446 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccccc2)C1 ZINC001021784644 642329487 /nfs/dbraw/zinc/32/94/87/642329487.db2.gz OJMBBESIJIEPHD-OKILXGFUSA-N 1 0 244.338 2.113 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](Cc2nc(C)cs2)C1 ZINC000933129070 642355176 /nfs/dbraw/zinc/35/51/76/642355176.db2.gz ZWYSGFKLYPGNJY-LBPRGKRZSA-N 1 0 234.368 2.339 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000307190886 642367275 /nfs/dbraw/zinc/36/72/75/642367275.db2.gz AMWLLZGYMKDAQA-IWSPIJDZSA-N 1 0 234.137 2.051 20 30 BEEDRO CCCCCCC[C@H](C)CNC(=O)CC[NH3+] ZINC000155090804 642393462 /nfs/dbraw/zinc/39/34/62/642393462.db2.gz YZVIOOOSERFROO-LBPRGKRZSA-N 1 0 228.380 2.448 20 30 BEEDRO C#CCCC[N@H+]1CCN(C)C[C@@H]1CC(C)C ZINC000933252068 642422240 /nfs/dbraw/zinc/42/22/40/642422240.db2.gz PHBIYMFSPHNTDT-AWEZNQCLSA-N 1 0 222.376 2.062 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)CSC)CCCCC1 ZINC000933264943 642433302 /nfs/dbraw/zinc/43/33/02/642433302.db2.gz LWKPTVOEQUSVKM-GFCCVEGCSA-N 1 0 241.400 2.026 20 30 BEEDRO C=CC[NH+](CC=C)CC1(O)CCCCC1 ZINC000920089311 642433966 /nfs/dbraw/zinc/43/39/66/642433966.db2.gz ZLUSIDIODFBWSD-UHFFFAOYSA-N 1 0 209.333 2.356 20 30 BEEDRO C#CCC1([NH2+]CC[C@@H](C)O)CCCCC1 ZINC000933265285 642434496 /nfs/dbraw/zinc/43/44/96/642434496.db2.gz DNNPELNXTURGIX-GFCCVEGCSA-N 1 0 209.333 2.073 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933290739 642479304 /nfs/dbraw/zinc/47/93/04/642479304.db2.gz XKWMTDPLVTZGBE-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH2+]CCC1CCOCC1 ZINC000308182474 642481752 /nfs/dbraw/zinc/48/17/52/642481752.db2.gz DLHXBIRBRKNKKC-UHFFFAOYSA-N 1 0 203.713 2.145 20 30 BEEDRO C#CCC1([NH2+][C@@H]2CCO[C@H](C)C2)CCC1 ZINC000933295140 642497057 /nfs/dbraw/zinc/49/70/57/642497057.db2.gz PWFIDGLUJLLUKO-VXGBXAGGSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCC1([NH2+]CC[C@H]2CCCO2)CCC1 ZINC000933296137 642501985 /nfs/dbraw/zinc/50/19/85/642501985.db2.gz CXXUMMZGEXSHMD-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(OC)cn2)CCC1 ZINC000933296750 642509003 /nfs/dbraw/zinc/50/90/03/642509003.db2.gz NAVMJUIKSITIDC-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO CC[NH+]1CCC(/N=C/c2cccc(O)c2O)CC1 ZINC000920943953 642565442 /nfs/dbraw/zinc/56/54/42/642565442.db2.gz GBRRPVCDXMGHCX-XNTDXEJSSA-N 1 0 248.326 2.001 20 30 BEEDRO CC[NH2+]Cc1cc(C#N)ccc1Br ZINC000921493781 642628367 /nfs/dbraw/zinc/62/83/67/642628367.db2.gz WDLYSAWJUNISNS-UHFFFAOYSA-N 1 0 239.116 2.430 20 30 BEEDRO C[C@]1(CNC(=[NH2+])N2CCCCC2)CCCS1 ZINC000305043366 642631373 /nfs/dbraw/zinc/63/13/73/642631373.db2.gz KLITXHVADWMJHU-GFCCVEGCSA-N 1 0 241.404 2.073 20 30 BEEDRO CCCNC(=[NH2+])NCC1(CCC)CCC1 ZINC000305059631 642634309 /nfs/dbraw/zinc/63/43/09/642634309.db2.gz PNPBHHGFYNRSSM-UHFFFAOYSA-N 1 0 211.353 2.271 20 30 BEEDRO CC(C)CCNC(=[NH2+])N1CCCCCC1 ZINC000305076124 642637934 /nfs/dbraw/zinc/63/79/34/642637934.db2.gz QMXHUVLZSBWLHN-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO CCCNC(=[NH2+])NCCCSCC(C)C ZINC000305300461 642653579 /nfs/dbraw/zinc/65/35/79/642653579.db2.gz MYTQAUYOZIREAI-UHFFFAOYSA-N 1 0 231.409 2.080 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000305567634 642669166 /nfs/dbraw/zinc/66/91/66/642669166.db2.gz JBTZUHLJOGPHNB-JTQLQIEISA-N 1 0 239.290 2.385 20 30 BEEDRO CC#CCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000305684760 642675044 /nfs/dbraw/zinc/67/50/44/642675044.db2.gz OGYHHJMIKXMUKY-GFCCVEGCSA-N 1 0 223.364 2.129 20 30 BEEDRO CC1CCC(CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000305814344 642700075 /nfs/dbraw/zinc/70/00/75/642700075.db2.gz LHLASLUARCVNTQ-UHFFFAOYSA-N 1 0 223.364 2.222 20 30 BEEDRO CN(C(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1)C1CC1 ZINC000305824550 642704939 /nfs/dbraw/zinc/70/49/39/642704939.db2.gz QMTNZHIYIKSGBT-TZMCWYRMSA-N 1 0 243.354 2.199 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ncc(C)c(OC)c1C)C(C)C ZINC000305949938 642713009 /nfs/dbraw/zinc/71/30/09/642713009.db2.gz UJYKRWRFWLYEKF-CYBMUJFWSA-N 1 0 246.354 2.454 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(C)OCCO1)C1CC1 ZINC000179569971 642725571 /nfs/dbraw/zinc/72/55/71/642725571.db2.gz GGWBEYHHDQCDNP-GFCCVEGCSA-N 1 0 225.332 2.084 20 30 BEEDRO COc1ccc(O)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000179924421 642757849 /nfs/dbraw/zinc/75/78/49/642757849.db2.gz HRCRLYUIFKNKQD-UHFFFAOYSA-N 1 0 246.310 2.136 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)C2=CCCC2)C1 ZINC000965858002 642770740 /nfs/dbraw/zinc/77/07/40/642770740.db2.gz CDJRQVNPVZMYEF-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000966881296 642792073 /nfs/dbraw/zinc/79/20/73/642792073.db2.gz ADZHNGKJEHDNSV-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC000966903804 642796382 /nfs/dbraw/zinc/79/63/82/642796382.db2.gz GYQQPIVHXITYTD-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000967411049 642800808 /nfs/dbraw/zinc/80/08/08/642800808.db2.gz WXKGPWHQUWANOA-ICDLMJIXSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC000967449928 642801164 /nfs/dbraw/zinc/80/11/64/642801164.db2.gz IMTLBBPORRLFHG-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2C=CCC2)C1 ZINC001006687126 642826015 /nfs/dbraw/zinc/82/60/15/642826015.db2.gz WXVASKMYBQSILO-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC001007090928 642827810 /nfs/dbraw/zinc/82/78/10/642827810.db2.gz IKTOEWZNQATXGE-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C2(C)CC=CC2)C1 ZINC001008429645 642832743 /nfs/dbraw/zinc/83/27/43/642832743.db2.gz RFQYRBMSCJMDBF-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)C=CCC2)C1 ZINC001008228158 642833013 /nfs/dbraw/zinc/83/30/13/642833013.db2.gz BXQIORUIJIDJTB-HIFRSBDPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000181259238 642855844 /nfs/dbraw/zinc/85/58/44/642855844.db2.gz YWQRAYWUKGPGBO-ZDUSSCGKSA-N 1 0 246.354 2.360 20 30 BEEDRO C#CC[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(CC)CC ZINC000181408263 642868217 /nfs/dbraw/zinc/86/82/17/642868217.db2.gz MBWMYUQIISISLS-TUAOUCFPSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2=CCCCCC2)C1 ZINC001010744556 642873694 /nfs/dbraw/zinc/87/36/94/642873694.db2.gz ARLGXJIOYZJOGQ-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000069768127 642904311 /nfs/dbraw/zinc/90/43/11/642904311.db2.gz OZNSVGPNXYZGSZ-SNVBAGLBSA-N 1 0 218.256 2.269 20 30 BEEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CCC1 ZINC001017286272 642969925 /nfs/dbraw/zinc/96/99/25/642969925.db2.gz LMPPGUFZVBQJDG-OKILXGFUSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2C=CCCC2)C1 ZINC001019027682 643019359 /nfs/dbraw/zinc/01/93/59/643019359.db2.gz VGUGAIIESFXILM-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C)CC=CC2)C1 ZINC001019327668 643028990 /nfs/dbraw/zinc/02/89/90/643028990.db2.gz NYCMBOMKBRNTRM-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C[NH+](C)CC1(NCC#Cc2ccccc2)CCC1 ZINC000281457607 643044411 /nfs/dbraw/zinc/04/44/11/643044411.db2.gz QYGNICJLWNVKFS-UHFFFAOYSA-N 1 0 242.366 2.112 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000932308759 643076932 /nfs/dbraw/zinc/07/69/32/643076932.db2.gz AFRMWZOFNPNABN-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000932308760 643077874 /nfs/dbraw/zinc/07/78/74/643077874.db2.gz AFRMWZOFNPNABN-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000304226879 643091361 /nfs/dbraw/zinc/09/13/61/643091361.db2.gz JITFSLQYGGCFDG-UPJWGTAASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000252710086 643091866 /nfs/dbraw/zinc/09/18/66/643091866.db2.gz FRCDZQJXSUAFNP-RVMXOQNASA-N 1 0 211.349 2.338 20 30 BEEDRO CCC[C@@H]([NH2+]CCO[C@H](C)C#N)C1CCC1 ZINC000324953076 643095792 /nfs/dbraw/zinc/09/57/92/643095792.db2.gz CAVICADHISSMHH-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO CCC[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CCC1 ZINC000324953078 643096168 /nfs/dbraw/zinc/09/61/68/643096168.db2.gz CAVICADHISSMHH-WCQYABFASA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(C)C)[C@@H](C)C1 ZINC000941835036 643144482 /nfs/dbraw/zinc/14/44/82/643144482.db2.gz WBQREKBMPWFQDT-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC=CCC2)C1 ZINC001020472971 643148069 /nfs/dbraw/zinc/14/80/69/643148069.db2.gz OOOJXVAHXKGTTM-IHRRRGAJSA-N 1 0 248.370 2.156 20 30 BEEDRO CC(C)[C@@H](C)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000081058304 643191506 /nfs/dbraw/zinc/19/15/06/643191506.db2.gz PWVSOIBAPYLEGY-WFASDCNBSA-N 1 0 246.354 2.473 20 30 BEEDRO C#CC[N@H+](Cc1cccnc1C)C(C)C ZINC000932384008 643195881 /nfs/dbraw/zinc/19/58/81/643195881.db2.gz MANBRTWOHXUXLS-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cncc(C)c1 ZINC000184371044 643207744 /nfs/dbraw/zinc/20/77/44/643207744.db2.gz KDZSYAWIZSWYEE-LBPRGKRZSA-N 1 0 202.301 2.454 20 30 BEEDRO N#CCC[N@@H+](CCCCCCO)CC1CC1 ZINC000175777748 643293478 /nfs/dbraw/zinc/29/34/78/643293478.db2.gz NJHUDXQPYMJHFM-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C)[C@@H](C)C1 ZINC000944277997 643297963 /nfs/dbraw/zinc/29/79/63/643297963.db2.gz BLHCWUKUBHQIOD-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)[C@H](C)CC)CC1(C)C ZINC000995490586 643307033 /nfs/dbraw/zinc/30/70/33/643307033.db2.gz BEBFLNPXLNEFGJ-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO Cc1ccc(CO[NH+]=C(N)C(C)C)c(C)n1 ZINC000185453596 643310545 /nfs/dbraw/zinc/31/05/45/643310545.db2.gz DHYYWVGHIJTCGM-UHFFFAOYSA-N 1 0 221.304 2.143 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C=C2CCC2)CC1(C)C ZINC000995660780 643371453 /nfs/dbraw/zinc/37/14/53/643371453.db2.gz MBZQTBWJTMAGCO-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO CC1(C)CC[C@H](CNC(=[NH2+])Nc2ccccc2)O1 ZINC000186023521 643427507 /nfs/dbraw/zinc/42/75/07/643427507.db2.gz PNUJCIHJDRILRK-GFCCVEGCSA-N 1 0 247.342 2.371 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCCCCCO ZINC000177365369 643434972 /nfs/dbraw/zinc/43/49/72/643434972.db2.gz NMMIIZJPFKBVRV-LBPRGKRZSA-N 1 0 212.337 2.163 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CCCCO1 ZINC000049800793 643442220 /nfs/dbraw/zinc/44/22/20/643442220.db2.gz WUCIYHMSFPWHOM-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[N@@H+](Cc1cccc(C(=O)NC)c1)C(C)C ZINC000733793956 643471285 /nfs/dbraw/zinc/47/12/85/643471285.db2.gz HVFLOAXEFXIFSD-UHFFFAOYSA-N 1 0 246.354 2.443 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)Cc1ccccc1 ZINC000307568992 643515706 /nfs/dbraw/zinc/51/57/06/643515706.db2.gz WRSRPTJIHKQBMV-GFCCVEGCSA-N 1 0 218.300 2.047 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CCC1 ZINC001032332671 643519257 /nfs/dbraw/zinc/51/92/57/643519257.db2.gz DGWDKYUZIPUBCR-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C2(C)CC=CC2)CC1 ZINC000996949263 643564824 /nfs/dbraw/zinc/56/48/24/643564824.db2.gz ZISUFQGQFOSKAG-UHFFFAOYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CCC([NH2+]CC)CC1 ZINC000996962913 643568775 /nfs/dbraw/zinc/56/87/75/643568775.db2.gz ZSQFVVRAXDHCAU-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO CCNC(NC[C@@H]1CCCC[C@@H]1C)=[NH+]CC ZINC000303384223 643580327 /nfs/dbraw/zinc/58/03/27/643580327.db2.gz USARXPBIHCCFAF-RYUDHWBXSA-N 1 0 225.380 2.388 20 30 BEEDRO COCCCC[NH2+]Cc1csc(C#N)c1 ZINC000921545912 643595534 /nfs/dbraw/zinc/59/55/34/643595534.db2.gz YSLCYHBXCKIGMF-UHFFFAOYSA-N 1 0 224.329 2.136 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC000970976788 643647072 /nfs/dbraw/zinc/64/70/72/643647072.db2.gz WLOWLWXDGZBPRZ-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO CC(C)C[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000307779989 643649522 /nfs/dbraw/zinc/64/95/22/643649522.db2.gz TVHYXQRFZYEUJK-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)C[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000307769601 643684263 /nfs/dbraw/zinc/68/42/63/643684263.db2.gz DXLHVEQFPZAKBY-OLZOCXBDSA-N 1 0 224.348 2.283 20 30 BEEDRO C#CCCC[NH+]1CCC(C(F)F)CC1 ZINC000307863254 643688642 /nfs/dbraw/zinc/68/86/42/643688642.db2.gz YXUJWXFWAUYLJR-UHFFFAOYSA-N 1 0 201.260 2.377 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000998493512 643710851 /nfs/dbraw/zinc/71/08/51/643710851.db2.gz DXJKHHPQBYWPDQ-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC000998791732 643722445 /nfs/dbraw/zinc/72/24/45/643722445.db2.gz MDLPIIOVISARNT-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)C)C1 ZINC000999724439 643739194 /nfs/dbraw/zinc/73/91/94/643739194.db2.gz DIHZSVQMAYJTBF-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]Cc1csc(C#N)c1 ZINC000921731859 643765587 /nfs/dbraw/zinc/76/55/87/643765587.db2.gz KMOCXLGRTNUSJD-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@H](CCO)[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921767516 643779787 /nfs/dbraw/zinc/77/97/87/643779787.db2.gz SFMNNRBWYJLZEH-CQSZACIVSA-N 1 0 246.354 2.426 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]Cc1csc(C#N)c1 ZINC000921776757 643782454 /nfs/dbraw/zinc/78/24/54/643782454.db2.gz XEFUCIGKBMETIA-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO COC1(C[NH2+]Cc2csc(C#N)c2)CCC1 ZINC000921978566 643836943 /nfs/dbraw/zinc/83/69/43/643836943.db2.gz PBYREWQITJOQKJ-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc3c2OCC3)C1 ZINC000922012847 643844752 /nfs/dbraw/zinc/84/47/52/643844752.db2.gz VXHGYBDVZVYUPS-FZMZJTMJSA-N 1 0 242.322 2.403 20 30 BEEDRO CC[C@@]1([NH2+]Cc2csc(C#N)c2)CCOC1 ZINC000922051173 643855050 /nfs/dbraw/zinc/85/50/50/643855050.db2.gz IGGMXJBTYZZBRU-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922063308 643857400 /nfs/dbraw/zinc/85/74/00/643857400.db2.gz DQBQKHXEPFVWJR-BXKDBHETSA-N 1 0 236.340 2.134 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCCCCO ZINC000922078583 643858700 /nfs/dbraw/zinc/85/87/00/643858700.db2.gz FUYXCRJLBPWSMH-UHFFFAOYSA-N 1 0 246.354 2.427 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000922095830 643861573 /nfs/dbraw/zinc/86/15/73/643861573.db2.gz DKRWVDVLYKMRQT-UHFFFAOYSA-N 1 0 245.326 2.207 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922123259 643866160 /nfs/dbraw/zinc/86/61/60/643866160.db2.gz RMVQMFJGPOLDOR-KCJUWKMLSA-N 1 0 238.381 2.461 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)CN(C)C ZINC000922129454 643867641 /nfs/dbraw/zinc/86/76/41/643867641.db2.gz QSXYKZJZVSXLQT-ZDUSSCGKSA-N 1 0 245.370 2.215 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]Cc1csc(C#N)c1 ZINC000922137624 643870090 /nfs/dbraw/zinc/87/00/90/643870090.db2.gz CVLWIUSNTBMPIA-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@H](C[NH2+]Cc1csc(C#N)c1)OC ZINC000922137739 643870422 /nfs/dbraw/zinc/87/04/22/643870422.db2.gz RKTDHZLCSACXOB-SNVBAGLBSA-N 1 0 224.329 2.134 20 30 BEEDRO C[C@H](CCO)CC[NH2+]Cc1csc(C#N)c1 ZINC000922152034 643873507 /nfs/dbraw/zinc/87/35/07/643873507.db2.gz GEEIFTPUJIKFSS-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@H](CCCO)C[NH2+]Cc1csc(C#N)c1 ZINC000922154496 643874541 /nfs/dbraw/zinc/87/45/41/643874541.db2.gz VUGFOJMNUYXTMG-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922159323 643878651 /nfs/dbraw/zinc/87/86/51/643878651.db2.gz OYVUQKGQJKXSKO-UHFFFAOYSA-N 1 0 206.289 2.089 20 30 BEEDRO C[NH+](C)CC(C)(C)NCc1csc(C#N)c1 ZINC000922169971 643888697 /nfs/dbraw/zinc/88/86/97/643888697.db2.gz BYMIZQUOYLAZDB-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cnn(C3CCC3)c2)C1 ZINC000922198598 643899850 /nfs/dbraw/zinc/89/98/50/643899850.db2.gz SFOGBYCBVQHXJO-YPMHNXCESA-N 1 0 244.342 2.390 20 30 BEEDRO COc1cccc2c1CC[C@@H]([NH2+]CCC#N)C2 ZINC000425960497 643901806 /nfs/dbraw/zinc/90/18/06/643901806.db2.gz OQEUUNZLZCQTTR-GFCCVEGCSA-N 1 0 230.311 2.056 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2csc(C#N)c2)CO1 ZINC000922234132 643911783 /nfs/dbraw/zinc/91/17/83/643911783.db2.gz HBDXEZGVGPISBX-SNVBAGLBSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)(F)C[NH2+]Cc1csc(C#N)c1 ZINC000922301040 643961982 /nfs/dbraw/zinc/96/19/82/643961982.db2.gz ZWYNHMAPQFCRNT-UHFFFAOYSA-N 1 0 212.293 2.457 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922264006 643933357 /nfs/dbraw/zinc/93/33/57/643933357.db2.gz MMNCNUKRGXFSLS-CABCVRRESA-N 1 0 244.338 2.442 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]Cc2csc(C#N)c2)C1 ZINC000922298866 643959115 /nfs/dbraw/zinc/95/91/15/643959115.db2.gz XYFHYJUXJOCFTF-JGZJWPJOSA-N 1 0 236.340 2.134 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1csc(C#N)c1 ZINC000922319850 643969863 /nfs/dbraw/zinc/96/98/63/643969863.db2.gz JOYGLTCNXAOEHM-KOLCDFICSA-N 1 0 238.356 2.259 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OC)cc1C ZINC000922336214 643973621 /nfs/dbraw/zinc/97/36/21/643973621.db2.gz TVRUIXOJENHADN-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)C1CCC1 ZINC000320920869 643978022 /nfs/dbraw/zinc/97/80/22/643978022.db2.gz CRNWNXCZGQXCGW-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000922511092 644009328 /nfs/dbraw/zinc/00/93/28/644009328.db2.gz MLVLLPIAHIWCOC-WRSRJMLGSA-N 1 0 216.284 2.285 20 30 BEEDRO CCCCCCC[C@@H](C)CNC(=O)CC[NH3+] ZINC000155090708 644050549 /nfs/dbraw/zinc/05/05/49/644050549.db2.gz YZVIOOOSERFROO-GFCCVEGCSA-N 1 0 228.380 2.448 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2nn(CC)nc2C)CC1 ZINC000922709964 644072760 /nfs/dbraw/zinc/07/27/60/644072760.db2.gz GKLDGCUFYVUNOV-UHFFFAOYSA-N 1 0 248.374 2.442 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000186711323 644138467 /nfs/dbraw/zinc/13/84/67/644138467.db2.gz LOMFYBRIHIDAAF-BXUZGUMPSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000186706730 644139437 /nfs/dbraw/zinc/13/94/37/644139437.db2.gz WXLKQLZFQDMYMI-RYUDHWBXSA-N 1 0 235.327 2.288 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCCCCSC ZINC000186888848 644152667 /nfs/dbraw/zinc/15/26/67/644152667.db2.gz IKYQSWDNEODXMI-JTQLQIEISA-N 1 0 231.409 2.223 20 30 BEEDRO C#CCC1([NH2+]Cc2cnn(CC)n2)CCCCC1 ZINC000922980776 644213948 /nfs/dbraw/zinc/21/39/48/644213948.db2.gz BTUOFIFNOCCPLJ-UHFFFAOYSA-N 1 0 246.358 2.114 20 30 BEEDRO C#CCC1([NH2+]Cc2cnnn2CC)CCCCC1 ZINC000922981558 644214509 /nfs/dbraw/zinc/21/45/09/644214509.db2.gz ORLWYVQGDFXTRS-UHFFFAOYSA-N 1 0 246.358 2.114 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCO[C@H](C)C2)CCC1 ZINC000922997508 644221081 /nfs/dbraw/zinc/22/10/81/644221081.db2.gz JLKCMOXYEZBZFX-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCSC2)CCC1 ZINC000922998005 644221670 /nfs/dbraw/zinc/22/16/70/644221670.db2.gz PEWHNDBVPQNFTO-LLVKDONJSA-N 1 0 209.358 2.275 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(COC)o2)CCC1 ZINC000922996899 644221685 /nfs/dbraw/zinc/22/16/85/644221685.db2.gz AFCKMWFBPHLAIC-UHFFFAOYSA-N 1 0 233.311 2.462 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(C3CC3)nc2)CCC1 ZINC000922998569 644223349 /nfs/dbraw/zinc/22/33/49/644223349.db2.gz JUEHPBKCUCKINK-UHFFFAOYSA-N 1 0 241.338 2.390 20 30 BEEDRO C#CCC1([NH2+]Cc2conc2C)CCC1 ZINC000922998799 644223949 /nfs/dbraw/zinc/22/39/49/644223949.db2.gz YOHLZWCYIGFTRO-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnc(F)c2)CCC1 ZINC000922998352 644224768 /nfs/dbraw/zinc/22/47/68/644224768.db2.gz IRZAZTKFRXCGPZ-UHFFFAOYSA-N 1 0 218.275 2.256 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cccc(O)c1 ZINC000194156876 644301436 /nfs/dbraw/zinc/30/14/36/644301436.db2.gz TYVHKXYDFPWBCP-NSHDSACASA-N 1 0 235.352 2.409 20 30 BEEDRO CC(C)[C@H](C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000081058316 644304551 /nfs/dbraw/zinc/30/45/51/644304551.db2.gz PWVSOIBAPYLEGY-IUODEOHRSA-N 1 0 246.354 2.473 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC(C)(C)OCC ZINC000187143112 644342288 /nfs/dbraw/zinc/34/22/88/644342288.db2.gz ZGGBYCFBWIEEAR-UHFFFAOYSA-N 1 0 243.395 2.286 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1c(C)cccc1F ZINC000081960144 644351549 /nfs/dbraw/zinc/35/15/49/644351549.db2.gz QVVZVPDBBVPZIR-UHFFFAOYSA-N 1 0 235.306 2.115 20 30 BEEDRO N#CC1CCC(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000923455135 644435466 /nfs/dbraw/zinc/43/54/66/644435466.db2.gz QXVOKGQQJBCLQO-PFSRBDOWSA-N 1 0 247.386 2.000 20 30 BEEDRO CCCCCC(C)(C)CNC(NC)=[NH+]C ZINC000086998987 644475423 /nfs/dbraw/zinc/47/54/23/644475423.db2.gz UOIDDBRXSJTKGB-UHFFFAOYSA-N 1 0 213.369 2.388 20 30 BEEDRO OC1(C[NH2+]CC#Cc2ccccc2)CCCCC1 ZINC000087029121 644495434 /nfs/dbraw/zinc/49/54/34/644495434.db2.gz UUJNLWSYOSFRIQ-UHFFFAOYSA-N 1 0 243.350 2.323 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CC=CCC2)cc1 ZINC000088748759 644527772 /nfs/dbraw/zinc/52/77/72/644527772.db2.gz YDLXOCFYYPXAGZ-GJZGRUSLSA-N 1 0 242.322 2.290 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC)C[C@H]1C ZINC000946936627 644527825 /nfs/dbraw/zinc/52/78/25/644527825.db2.gz JXMHKNSBJRUONY-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(N=NC(N)=[NH2+])[C@@H](C)C1CCCCC1 ZINC000747624987 644586228 /nfs/dbraw/zinc/58/62/28/644586228.db2.gz XKYRQBUZWIZTPC-MRVPVSSYSA-N 1 0 210.325 2.062 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCC(C)(C)C[C@H]2C)=[NH+]1 ZINC000779798653 644715770 /nfs/dbraw/zinc/71/57/70/644715770.db2.gz DLZQTTVACMZLTA-NXEZZACHSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781985905 644737657 /nfs/dbraw/zinc/73/76/57/644737657.db2.gz QVRUQKQMLRHCKM-NSHDSACASA-N 1 0 249.276 2.443 20 30 BEEDRO [NH2+]=C(NCCc1ccccc1)N1CCCCC1 ZINC000303714862 644840517 /nfs/dbraw/zinc/84/05/17/644840517.db2.gz RPITVURJXVMBFA-UHFFFAOYSA-N 1 0 231.343 2.030 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000801924714 644844414 /nfs/dbraw/zinc/84/44/14/644844414.db2.gz TYNMSJKZTCTTEM-JSGCOSHPSA-N 1 0 230.311 2.362 20 30 BEEDRO C[C@H](CNC(=[NH2+])NCC1CCC1)c1ccccc1 ZINC000303769099 644845125 /nfs/dbraw/zinc/84/51/25/644845125.db2.gz AUHCEZVFVGUZMA-GFCCVEGCSA-N 1 0 245.370 2.495 20 30 BEEDRO CCCNC(=[NH2+])NCCCOC1CCCCC1 ZINC000303791178 644845996 /nfs/dbraw/zinc/84/59/96/644845996.db2.gz XCPMTOSSOOUBQF-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])N2CCCCC2)s1 ZINC000303783630 644846788 /nfs/dbraw/zinc/84/67/88/644846788.db2.gz OKZSWMHJTLIDCY-UHFFFAOYSA-N 1 0 237.372 2.357 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000801926410 644846889 /nfs/dbraw/zinc/84/68/89/644846889.db2.gz PZBKXGIRFCEVND-HIFRSBDPSA-N 1 0 244.338 2.232 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H]1CCCC[C@@H]1C ZINC000303868719 644851217 /nfs/dbraw/zinc/85/12/17/644851217.db2.gz DLNUDRQNUSEWGP-NWDGAFQWSA-N 1 0 225.380 2.469 20 30 BEEDRO CCCNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303883992 644853589 /nfs/dbraw/zinc/85/35/89/644853589.db2.gz MMRHAISOZHQMFP-UHFFFAOYSA-N 1 0 231.299 2.247 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303892670 644853903 /nfs/dbraw/zinc/85/39/03/644853903.db2.gz RIILPNWUSARAPO-LBPRGKRZSA-N 1 0 231.343 2.031 20 30 BEEDRO CC(C)CCNC(=[NH2+])NC[C@@H]1Cc2ccccc21 ZINC000303880294 644854469 /nfs/dbraw/zinc/85/44/69/644854469.db2.gz KEPPGRCBWWJHFK-ZDUSSCGKSA-N 1 0 245.370 2.277 20 30 BEEDRO CNC(=[NH2+])NCC1CCC(c2ccccc2)CC1 ZINC000304003342 644866804 /nfs/dbraw/zinc/86/68/04/644866804.db2.gz RWTZTXWWEUETQA-UHFFFAOYSA-N 1 0 245.370 2.495 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(C(C)C)no1 ZINC000304112464 644870232 /nfs/dbraw/zinc/87/02/32/644870232.db2.gz GRCMEDMNCYFSLD-SECBINFHSA-N 1 0 238.335 2.001 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccccc1 ZINC000304201728 644875196 /nfs/dbraw/zinc/87/51/96/644875196.db2.gz CEKVDAQVIDTTTR-RYUDHWBXSA-N 1 0 218.300 2.266 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000304212816 644877089 /nfs/dbraw/zinc/87/70/89/644877089.db2.gz FNNYAVUIZPCLNM-XQHKEYJVSA-N 1 0 224.348 2.281 20 30 BEEDRO CCCC(=[NH+]n1cnnc1)[C@H]1CC1(C)C ZINC000841602354 644877932 /nfs/dbraw/zinc/87/79/32/644877932.db2.gz ADGJRXJNCPEVCR-SECBINFHSA-N 1 0 206.293 2.328 20 30 BEEDRO C=CCNC(=[NH2+])NCc1oc2ccccc2c1C ZINC000304237661 644878114 /nfs/dbraw/zinc/87/81/14/644878114.db2.gz QQBRBXLZYZXNAO-UHFFFAOYSA-N 1 0 243.310 2.332 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000304226877 644878758 /nfs/dbraw/zinc/87/87/58/644878758.db2.gz JITFSLQYGGCFDG-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC(CCO)CC2)cc1 ZINC000809544074 644889363 /nfs/dbraw/zinc/88/93/63/644889363.db2.gz XPJIENQFZFVVAP-UHFFFAOYSA-N 1 0 243.350 2.262 20 30 BEEDRO Cc1ccccc1[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000809572254 644891095 /nfs/dbraw/zinc/89/10/95/644891095.db2.gz JRJNFMIDTFEKRT-UKRRQHHQSA-N 1 0 244.338 2.407 20 30 BEEDRO C#Cc1ccc(CNCC[N@@H+](CC)C(C)C)cc1 ZINC000809611899 644893771 /nfs/dbraw/zinc/89/37/71/644893771.db2.gz BGKQZGJMDLXLQW-UHFFFAOYSA-N 1 0 244.382 2.488 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC/C=C/c1ccccc1 ZINC000304501739 644911427 /nfs/dbraw/zinc/91/14/27/644911427.db2.gz GFRJRWOXXHQWFE-RMKNXTFCSA-N 1 0 229.327 2.180 20 30 BEEDRO CCCNC(=[NH2+])NCCCc1cccc(F)c1 ZINC000304752558 644929922 /nfs/dbraw/zinc/92/99/22/644929922.db2.gz KIXRLFFGHZBCCS-UHFFFAOYSA-N 1 0 237.322 2.073 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC/C=C/c1ccccc1 ZINC000304764872 644932787 /nfs/dbraw/zinc/93/27/87/644932787.db2.gz YPHPHXVYICHFCX-JXMROGBWSA-N 1 0 231.343 2.403 20 30 BEEDRO CCC1(CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000304814584 644934978 /nfs/dbraw/zinc/93/49/78/644934978.db2.gz ZULVBLCWMNGGCL-NSHDSACASA-N 1 0 223.364 2.223 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253095685 644936935 /nfs/dbraw/zinc/93/69/35/644936935.db2.gz PLPWSPQXUOYGNM-BFHYXJOUSA-N 1 0 221.344 2.025 20 30 BEEDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000815064226 644951314 /nfs/dbraw/zinc/95/13/14/644951314.db2.gz YRLQGUJDBPACFY-AWEZNQCLSA-N 1 0 247.342 2.092 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CSCCF)C(C)C ZINC000825878663 645064003 /nfs/dbraw/zinc/06/40/03/645064003.db2.gz VDKGNVQQPBUZCA-MNOVXSKESA-N 1 0 217.353 2.325 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C2CC2)cnn1C)C(C)C ZINC000825878939 645064204 /nfs/dbraw/zinc/06/42/04/645064204.db2.gz XDMZDJCWJVMJTG-ZDUSSCGKSA-N 1 0 231.343 2.045 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@@H+]2CC[C@](C)(C#N)C2)CCO1 ZINC000827650850 645082802 /nfs/dbraw/zinc/08/28/02/645082802.db2.gz WCZOUUGJRRVMKJ-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)cn2)C1 ZINC000829804327 645110943 /nfs/dbraw/zinc/11/09/43/645110943.db2.gz GWULNFUAKQJKHZ-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO Nc1ccc2c(c1)CCC2=[NH+]OCC1CC1 ZINC000834981865 645154606 /nfs/dbraw/zinc/15/46/06/645154606.db2.gz CSMNXOMOEABZBN-UHFFFAOYSA-N 1 0 216.284 2.346 20 30 BEEDRO CC(C)O[NH+]=Cc1ccccc1N1CCOCC1 ZINC000835004194 645158825 /nfs/dbraw/zinc/15/88/25/645158825.db2.gz ITTVJEGFMIYDBV-UHFFFAOYSA-N 1 0 248.326 2.282 20 30 BEEDRO CCCCCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000841864748 645234303 /nfs/dbraw/zinc/23/43/03/645234303.db2.gz RTULJFBYBFJBIG-NEPJUHHUSA-N 1 0 243.395 2.382 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ncco1 ZINC000926514741 645246316 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ZINC000843422061 645288451 /nfs/dbraw/zinc/28/84/51/645288451.db2.gz BLPWNDVLCFUJGM-STQMWFEESA-N 1 0 223.385 2.475 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn(CCC)c2)CC1 ZINC000843426593 645292116 /nfs/dbraw/zinc/29/21/16/645292116.db2.gz BKRSTBAPQYHWLC-UHFFFAOYSA-N 1 0 231.343 2.138 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)c1ccn(C)n1 ZINC000926574816 645292830 /nfs/dbraw/zinc/29/28/30/645292830.db2.gz COSCVMCOKSVDIQ-GHMZBOCLSA-N 1 0 234.347 2.399 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)CCC1 ZINC000926623124 645318891 /nfs/dbraw/zinc/31/88/91/645318891.db2.gz AURCNSNKXLNLPK-UONOGXRCSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)CCC1 ZINC000926624102 645319592 /nfs/dbraw/zinc/31/95/92/645319592.db2.gz HOZAFIYFXVDGJK-UONOGXRCSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCN3CCCC[C@H]23)CCC1 ZINC000926627381 645319710 /nfs/dbraw/zinc/31/97/10/645319710.db2.gz NVDHBLUMVOHYPU-UONOGXRCSA-N 1 0 247.386 2.287 20 30 BEEDRO 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232.327 2.380 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000927005833 645509170 /nfs/dbraw/zinc/50/91/70/645509170.db2.gz QKMFTHGRKUTAGI-NEPJUHHUSA-N 1 0 239.359 2.330 20 30 BEEDRO C#C[C@](C)(CC)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000854700512 645509578 /nfs/dbraw/zinc/50/95/78/645509578.db2.gz UJWLIKTYJOTDPE-BXUZGUMPSA-N 1 0 238.375 2.071 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H]1CCCC[C@H]1C(=O)OC ZINC000930244875 645522785 /nfs/dbraw/zinc/52/27/85/645522785.db2.gz PMZZTPOFUWBCOM-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO Cc1ccc(NCC[NH2+][C@H]2CC[C@H](C#N)C2)nc1 ZINC000927072212 645536312 /nfs/dbraw/zinc/53/63/12/645536312.db2.gz ZGPIIOLVQKBTCZ-STQMWFEESA-N 1 0 244.342 2.084 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCOC1CCOCC1 ZINC000927080069 645539689 /nfs/dbraw/zinc/53/96/89/645539689.db2.gz ZHOYCMZVGNGQIU-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCO[C@@H]1CCOC1)C1CC1 ZINC000927086154 645542703 /nfs/dbraw/zinc/54/27/03/645542703.db2.gz VCILDZMRAINTOJ-ZIAGYGMSSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCO[C@H]1CCOC1)C1CC1 ZINC000927086151 645543289 /nfs/dbraw/zinc/54/32/89/645543289.db2.gz VCILDZMRAINTOJ-UONOGXRCSA-N 1 0 239.359 2.126 20 30 BEEDRO COC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)C(C)C ZINC000927096043 645549403 /nfs/dbraw/zinc/54/94/03/645549403.db2.gz JBUNEZVMBZGJFR-AVGNSLFASA-N 1 0 224.348 2.187 20 30 BEEDRO COC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000927096044 645549538 /nfs/dbraw/zinc/54/95/38/645549538.db2.gz JBUNEZVMBZGJFR-FRRDWIJNSA-N 1 0 224.348 2.187 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2CCC3)C1 ZINC000927122733 645559287 /nfs/dbraw/zinc/55/92/87/645559287.db2.gz RBOUIAUPUIBOQA-NDBYEHHHSA-N 1 0 204.317 2.458 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnc(F)c2)C1 ZINC000859335515 645681927 /nfs/dbraw/zinc/68/19/27/645681927.db2.gz AISFQNQNKTVLGO-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000862446791 645695846 /nfs/dbraw/zinc/69/58/46/645695846.db2.gz DXNYUOJIZCHYSC-LLVKDONJSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccncc2F)C1 ZINC000862447075 645697545 /nfs/dbraw/zinc/69/75/45/645697545.db2.gz IDEZMHCWQDNQAP-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO COc1ccc(C[NH2+]CC(C)(C)F)cc1C#N ZINC000865652666 645722255 /nfs/dbraw/zinc/72/22/55/645722255.db2.gz HDEKPRIUSDHWIZ-UHFFFAOYSA-N 1 0 236.290 2.405 20 30 BEEDRO C#C[C@H]1CC[C@H](Nc2cc[nH+]c(C)c2)CC1 ZINC000872779253 645769274 /nfs/dbraw/zinc/76/92/74/645769274.db2.gz SJHPSOCYHGLNLT-JOCQHMNTSA-N 1 0 214.312 2.416 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](O)c1ccsc1 ZINC000877049186 645788397 /nfs/dbraw/zinc/78/83/97/645788397.db2.gz RMJHDOAKJYMSGI-CMPLNLGQSA-N 1 0 238.356 2.311 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)c1ccsc1 ZINC000877049188 645788546 /nfs/dbraw/zinc/78/85/46/645788546.db2.gz RMJHDOAKJYMSGI-JQWIXIFHSA-N 1 0 238.356 2.311 20 30 BEEDRO C#CCSCC[NH2+]Cc1c(C)cccc1O ZINC000877048716 645789122 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/nfs/dbraw/zinc/82/31/48/645823148.db2.gz RBUVIKZYGVEIIQ-MCIONIFRSA-N 1 0 221.344 2.147 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928565894 645828107 /nfs/dbraw/zinc/82/81/07/645828107.db2.gz GYCTYQOKKCTWCV-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCC(C)(C)C#N)CC1 ZINC000880480515 645832504 /nfs/dbraw/zinc/83/25/04/645832504.db2.gz VLWWNHCIZCJYFR-UHFFFAOYSA-N 1 0 248.370 2.167 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](C)CCc1ccccc1 ZINC000883123946 645848815 /nfs/dbraw/zinc/84/88/15/645848815.db2.gz QCCOXJJGCPNNPZ-HOCLYGCPSA-N 1 0 245.366 2.229 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000883124325 645849492 /nfs/dbraw/zinc/84/94/92/645849492.db2.gz DGLVAEKRPJJRDB-INIZCTEOSA-N 1 0 243.350 2.039 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(C#N)o2)[C@H]1C ZINC000883445932 645851489 /nfs/dbraw/zinc/85/14/89/645851489.db2.gz QNAOLPPOUFAYDZ-GRYCIOLGSA-N 1 0 247.342 2.099 20 30 BEEDRO C=CC1(CC(=O)NCC[NH+](C)C)CCCCC1 ZINC000929163070 645981406 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/nfs/dbraw/zinc/20/26/34/646202634.db2.gz RFDANXLSQKXZJW-UHFFFAOYSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cc(OC)no1 ZINC000925350433 646251677 /nfs/dbraw/zinc/25/16/77/646251677.db2.gz FKPQWZBOPZLZNQ-VIFPVBQESA-N 1 0 242.344 2.253 20 30 BEEDRO CC[N@H+](CCCO)CC1CCC(C#N)CC1 ZINC000929752194 646281699 /nfs/dbraw/zinc/28/16/99/646281699.db2.gz HCPJYQKELZHNQW-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO C#CCSCC[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000925456486 646285559 /nfs/dbraw/zinc/28/55/59/646285559.db2.gz XOYSGRVTOQRQGX-QWHCGFSZSA-N 1 0 243.416 2.272 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccns1 ZINC000925456223 646286250 /nfs/dbraw/zinc/28/62/50/646286250.db2.gz UENMYQQOJPSTNV-SECBINFHSA-N 1 0 226.370 2.160 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925532657 646320131 /nfs/dbraw/zinc/32/01/31/646320131.db2.gz UBUNVHYYJOXREI-UONOGXRCSA-N 1 0 241.375 2.230 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2c(C)cc(C#N)cc2C)C1 ZINC000929793698 646323204 /nfs/dbraw/zinc/32/32/04/646323204.db2.gz VCQBSKBZMIRZML-CQSZACIVSA-N 1 0 244.338 2.396 20 30 BEEDRO C[C@H]1OCC[N@H+](CC2CCC(C#N)CC2)[C@@H]1C ZINC000929848664 646359356 /nfs/dbraw/zinc/35/93/56/646359356.db2.gz SYPGJXGUJFVMCY-IWMBGFJWSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000925617072 646365037 /nfs/dbraw/zinc/36/50/37/646365037.db2.gz UMXBWBTZZJLBMS-IJLUTSLNSA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@@H]1COCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930067308 646418294 /nfs/dbraw/zinc/41/82/94/646418294.db2.gz LJSGIBQEDWESOG-IYXRBSQSSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CC2(C1)CCCC2 ZINC000925695605 646420452 /nfs/dbraw/zinc/42/04/52/646420452.db2.gz IRJQWQFHDDQFLL-GFCCVEGCSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1[C@H](C)CC[C@@H]1C ZINC000925697052 646421911 /nfs/dbraw/zinc/42/19/11/646421911.db2.gz MHROVCDRFNPLBB-QNWHQSFQSA-N 1 0 211.349 2.195 20 30 BEEDRO CC1(C)[NH2+]CC[C@@H]1NCC1(C#N)CCCCC1 ZINC000925703582 646427303 /nfs/dbraw/zinc/42/73/03/646427303.db2.gz AFDSVTSIFPWFBG-LBPRGKRZSA-N 1 0 235.375 2.191 20 30 BEEDRO C=CCC[NH2+][C@H](c1ccccc1)[C@@H](C)N ZINC000925704629 646429539 /nfs/dbraw/zinc/42/95/39/646429539.db2.gz ICKLGTONHKKDEJ-YPMHNXCESA-N 1 0 204.317 2.241 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnnn1C ZINC000925707459 646433029 /nfs/dbraw/zinc/43/30/29/646433029.db2.gz PWJWBHQXONPJGV-GHMZBOCLSA-N 1 0 222.336 2.211 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000925709355 646434749 /nfs/dbraw/zinc/43/47/49/646434749.db2.gz VCBMEOGDFJUTLP-WDEREUQCSA-N 1 0 222.336 2.211 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000930189733 646484748 /nfs/dbraw/zinc/48/47/48/646484748.db2.gz XZBNGVQCNHVVQA-CHWSQXEVSA-N 1 0 218.300 2.002 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC000926115719 646576218 /nfs/dbraw/zinc/57/62/18/646576218.db2.gz NHVCANTZHBTAAF-GFCCVEGCSA-N 1 0 249.358 2.461 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000926131565 646581355 /nfs/dbraw/zinc/58/13/55/646581355.db2.gz FVCQXWKMIFWRHB-OLZOCXBDSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cnn(C2CCC2)c1 ZINC000926152499 646583990 /nfs/dbraw/zinc/58/39/90/646583990.db2.gz IINNEVDJUSHSAH-AAEUAGOBSA-N 1 0 249.358 2.196 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1(C)OCCO1 ZINC000926164283 646586921 /nfs/dbraw/zinc/58/69/21/646586921.db2.gz JQWJQCVKOUOTHQ-LLVKDONJSA-N 1 0 240.347 2.057 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCCO1 ZINC000926212590 646594921 /nfs/dbraw/zinc/59/49/21/646594921.db2.gz YDSSMCCZXRQCEK-KBPBESRZSA-N 1 0 233.355 2.480 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(C1)CCCC2)[C@@H]1CCCO1 ZINC000926212597 646595313 /nfs/dbraw/zinc/59/53/13/646595313.db2.gz YDSSMCCZXRQCEK-KGLIPLIRSA-N 1 0 233.355 2.480 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2)[C@@H]1CCCO1 ZINC000926212368 646595496 /nfs/dbraw/zinc/59/54/96/646595496.db2.gz XFTMQUWDKCVOFA-AICCOOGYSA-N 1 0 231.339 2.112 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCn2ccnc2C1 ZINC000926228420 646600575 /nfs/dbraw/zinc/60/05/75/646600575.db2.gz HRXWSFNQNHFTCQ-NEPJUHHUSA-N 1 0 246.358 2.116 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cc(OC)no1 ZINC000926322689 646616422 /nfs/dbraw/zinc/61/64/22/646616422.db2.gz HMZOSYVLKJJHIW-SECBINFHSA-N 1 0 210.277 2.300 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccnnc1 ZINC000926342919 646620745 /nfs/dbraw/zinc/62/07/45/646620745.db2.gz OGBZYGTYMMOWAK-BNOWGMLFSA-N 1 0 247.342 2.108 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]CC2CCC(C#N)CC2)CO[C@H]1C ZINC000926357163 646625401 /nfs/dbraw/zinc/62/54/01/646625401.db2.gz UBJQOZORAGLWOJ-LFSIAQGGSA-N 1 0 236.359 2.329 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)C(C)(C)CO ZINC000926355453 646625407 /nfs/dbraw/zinc/62/54/07/646625407.db2.gz HXTURPUXWWDHQT-HIFPTAJRSA-N 1 0 238.375 2.313 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926482891 646656384 /nfs/dbraw/zinc/65/63/84/646656384.db2.gz QESIAAQGODDXAG-JTQLQIEISA-N 1 0 238.331 2.420 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CCCN[C@H]2C)CC1 ZINC000724444661 711580802 /nfs/dbraw/zinc/58/08/02/711580802.db2.gz HWBNRXUBQDJDFC-GXTWGEPZSA-N 1 0 222.376 2.463 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000724550491 711589638 /nfs/dbraw/zinc/58/96/38/711589638.db2.gz WSTHJYFOKYVKIT-WCQYABFASA-N 1 0 209.333 2.500 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC000972244709 711591112 /nfs/dbraw/zinc/59/11/12/711591112.db2.gz HDEORPUAVYEECL-GXTWGEPZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC000972244719 711591122 /nfs/dbraw/zinc/59/11/22/711591122.db2.gz HDEORPUAVYEECL-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@]1(OC)CCSC1 ZINC000719267826 711669796 /nfs/dbraw/zinc/66/97/96/711669796.db2.gz NBBBZJNZCKWUIJ-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253092528 711775444 /nfs/dbraw/zinc/77/54/44/711775444.db2.gz LCJRCAFHIOTYGK-BFHYXJOUSA-N 1 0 221.344 2.025 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@]1(C)CC ZINC000895100039 711776395 /nfs/dbraw/zinc/77/63/95/711776395.db2.gz NSAIFKJITQMBBW-RDBSUJKOSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)[C@@H](C)CC)CC1 ZINC000989968219 711799043 /nfs/dbraw/zinc/79/90/43/711799043.db2.gz SMCKUWPRWIHRKH-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721262067 711803941 /nfs/dbraw/zinc/80/39/41/711803941.db2.gz OCIJFLAIHRQIRC-FRRDWIJNSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC(C)(C)C1 ZINC000383082140 711825981 /nfs/dbraw/zinc/82/59/81/711825981.db2.gz UIGAADMMIZFKRJ-AWEZNQCLSA-N 1 0 236.403 2.500 20 30 BEEDRO CC(C)(C#N)CCN1CCC[C@@H](C#N)C1 ZINC000087592199 711837852 /nfs/dbraw/zinc/83/78/52/711837852.db2.gz WIBCHYFWFCAPSK-NSHDSACASA-N 1 0 205.305 2.162 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccns1)C(C)(C)C ZINC000702308347 712044284 /nfs/dbraw/zinc/04/42/84/712044284.db2.gz XRCNJYKXPDAUJX-JTQLQIEISA-N 1 0 208.330 2.281 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001035037126 712109323 /nfs/dbraw/zinc/10/93/23/712109323.db2.gz OTXBDMFILYJHKN-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)C)C[C@H]1C ZINC001035933418 712150642 /nfs/dbraw/zinc/15/06/42/712150642.db2.gz VESNHVBSXNZCAC-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](CCCC)C(=O)OC)C1 ZINC000709555234 712224675 /nfs/dbraw/zinc/22/46/75/712224675.db2.gz VTTUKUKUEKMITI-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@H](Cn1ccnc1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709992452 712238102 /nfs/dbraw/zinc/23/81/02/712238102.db2.gz WNXIZVYWGMOMLM-NWDGAFQWSA-N 1 0 234.347 2.190 20 30 BEEDRO CN(CCC#N)CCSC(C)(C)C ZINC000379367449 712377718 /nfs/dbraw/zinc/37/77/18/712377718.db2.gz MJCRJPMBXPFGDZ-UHFFFAOYSA-N 1 0 200.351 2.364 20 30 BEEDRO N#CCCOCC[NH+]1CCC(F)(C2CC2)CC1 ZINC000724833798 712393053 /nfs/dbraw/zinc/39/30/53/712393053.db2.gz DQNGEPNLGMTRFU-UHFFFAOYSA-N 1 0 240.322 2.131 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC(C)(C)CC[C@H]1C ZINC000713062140 712451730 /nfs/dbraw/zinc/45/17/30/712451730.db2.gz AEPMFSJQIHZGAA-IJLUTSLNSA-N 1 0 211.349 2.338 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCOC(F)(F)F ZINC000713385508 712458483 /nfs/dbraw/zinc/45/84/83/712458483.db2.gz IAINNMITTQVRQH-SECBINFHSA-N 1 0 223.238 2.304 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(CCCO)CC1 ZINC000715044828 712504593 /nfs/dbraw/zinc/50/45/93/712504593.db2.gz AWNUKNDOFYIGOY-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715082120 712507179 /nfs/dbraw/zinc/50/71/79/712507179.db2.gz OSKXNEYDRBIFNB-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000716928700 712596452 /nfs/dbraw/zinc/59/64/52/712596452.db2.gz MAJQDMXKEHPBTF-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccccc1C ZINC000716930045 712596519 /nfs/dbraw/zinc/59/65/19/712596519.db2.gz WYHXRMOVBDMXEI-CQSZACIVSA-N 1 0 217.312 2.123 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000716928783 712596579 /nfs/dbraw/zinc/59/65/79/712596579.db2.gz NQZJFQFYJNVYJD-YNEHKIRRSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CCC(F)(F)CC1 ZINC000716956269 712600054 /nfs/dbraw/zinc/60/00/54/712600054.db2.gz HWUKQYGBVGQVDZ-NSHDSACASA-N 1 0 231.286 2.192 20 30 BEEDRO C#CCC[N@@H+](CCCC(C)(C)C#N)CCOC ZINC000852752437 712612899 /nfs/dbraw/zinc/61/28/99/712612899.db2.gz YPQCPQWWEKMURO-UHFFFAOYSA-N 1 0 236.359 2.288 20 30 BEEDRO CC(C)[C@H](O)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879308354 712632991 /nfs/dbraw/zinc/63/29/91/712632991.db2.gz APHUGWUIUXAQEG-YNEHKIRRSA-N 1 0 224.348 2.017 20 30 BEEDRO C[N@H+](C[Si](C)(C)C)[C@H]1CCC[C@@H]1C#N ZINC000879308532 712633002 /nfs/dbraw/zinc/63/30/02/712633002.db2.gz PZBPSMWRXTTYIE-MNOVXSKESA-N 1 0 210.397 2.488 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CCC)[C@H]1CC1(C)C ZINC000717727198 712667628 /nfs/dbraw/zinc/66/76/28/712667628.db2.gz HMKGUWAHVCEFOG-UPJWGTAASA-N 1 0 223.360 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000717827425 712681681 /nfs/dbraw/zinc/68/16/81/712681681.db2.gz CEAMRQMPJGJZGX-CYBMUJFWSA-N 1 0 237.730 2.122 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccccc1 ZINC000717840512 712691282 /nfs/dbraw/zinc/69/12/82/712691282.db2.gz HVFMMTNWYPZAAV-HIFRSBDPSA-N 1 0 231.339 2.154 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H](C)C1CCCCC1 ZINC000717841681 712691776 /nfs/dbraw/zinc/69/17/76/712691776.db2.gz VJESNKKAXHOEDN-GXTWGEPZSA-N 1 0 223.360 2.177 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000380141580 712699134 /nfs/dbraw/zinc/69/91/34/712699134.db2.gz VSXSNPFRBNEOTD-NSHDSACASA-N 1 0 207.321 2.345 20 30 BEEDRO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351747 712832844 /nfs/dbraw/zinc/83/28/44/712832844.db2.gz FMZYAVTYDLXHHZ-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO N#CCCC[NH2+][C@@H](CCO)c1cccs1 ZINC000380329392 712886523 /nfs/dbraw/zinc/88/65/23/712886523.db2.gz NOXKSQDTJZEBLH-JTQLQIEISA-N 1 0 224.329 2.065 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC)C[C@H]1CC ZINC001037753248 712886667 /nfs/dbraw/zinc/88/66/67/712886667.db2.gz WYZOJCJBHNANHY-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1 ZINC001038016069 712898320 /nfs/dbraw/zinc/89/83/20/712898320.db2.gz DENUOTVBFDMVFO-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000384124551 710618770 /nfs/dbraw/zinc/61/87/70/710618770.db2.gz ASNNSOGOCBPERS-KGLIPLIRSA-N 1 0 222.376 2.252 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CCCC1)[C@@H]1CCCO1 ZINC000381348218 710625415 /nfs/dbraw/zinc/62/54/15/710625415.db2.gz ZQHGEOWMEXWWDT-XBFCOCLRSA-N 1 0 221.344 2.336 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2cc(C)ccc21 ZINC000381420583 710635327 /nfs/dbraw/zinc/63/53/27/710635327.db2.gz XGJGZACJJNLZJC-OCCSQVGLSA-N 1 0 217.312 2.119 20 30 BEEDRO C#CCSCC[NH2+]CC1(OC)CCCCC1 ZINC000381450110 710638513 /nfs/dbraw/zinc/63/85/13/710638513.db2.gz HDGBKKIMDRPEIR-UHFFFAOYSA-N 1 0 241.400 2.292 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000381471333 710641789 /nfs/dbraw/zinc/64/17/89/710641789.db2.gz OPRNYBFXENCLDY-GFCCVEGCSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000381474072 710642504 /nfs/dbraw/zinc/64/25/04/710642504.db2.gz PWSFOLPPOCLVKE-SNVBAGLBSA-N 1 0 238.356 2.357 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721208534 712898749 /nfs/dbraw/zinc/89/87/49/712898749.db2.gz SIYGQQSHBVXSKP-CHWSQXEVSA-N 1 0 241.400 2.290 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000381531897 710651340 /nfs/dbraw/zinc/65/13/40/710651340.db2.gz ZKLKKEJVBKXRBC-SNVBAGLBSA-N 1 0 231.324 2.045 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(C)oc1C ZINC000381541847 710653150 /nfs/dbraw/zinc/65/31/50/710653150.db2.gz IGPVJACGEYGKGN-GFCCVEGCSA-N 1 0 223.316 2.171 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC(=O)N(CC)CC ZINC000381569109 710655744 /nfs/dbraw/zinc/65/57/44/710655744.db2.gz WEUWZRFCPVRIEO-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC=CO2)C1 ZINC000381578597 710657178 /nfs/dbraw/zinc/65/71/78/710657178.db2.gz DJCKSASIUBBHOP-FRRDWIJNSA-N 1 0 220.316 2.351 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000381619861 710662709 /nfs/dbraw/zinc/66/27/09/710662709.db2.gz YJSRGPWMSZYXSY-CHWSQXEVSA-N 1 0 241.400 2.148 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@H](C)CC(N)=O ZINC000393781045 710682233 /nfs/dbraw/zinc/68/22/33/710682233.db2.gz OXNHSXRASNBTFP-VXGBXAGGSA-N 1 0 226.364 2.365 20 30 BEEDRO COC[C@@H](C[N@@H+]1CC[C@](C)(C#N)C1)C(C)C ZINC000721743300 710684230 /nfs/dbraw/zinc/68/42/30/710684230.db2.gz CENXGQRNOKODAF-CHWSQXEVSA-N 1 0 224.348 2.141 20 30 BEEDRO CC(C)(O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000721847752 710687254 /nfs/dbraw/zinc/68/72/54/710687254.db2.gz VKTAGOUMFHNZBJ-HNNXBMFYSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C1CCS(=O)CC1 ZINC000381817463 710722085 /nfs/dbraw/zinc/72/20/85/710722085.db2.gz HFUAODNNLYZQOW-UHFFFAOYSA-N 1 0 229.389 2.089 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723821634 710732594 /nfs/dbraw/zinc/73/25/94/710732594.db2.gz CAORBRKYBBYKBE-JHJVBQTASA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cn(C)cn1 ZINC000381844048 710733261 /nfs/dbraw/zinc/73/32/61/710733261.db2.gz DAAAQFJVGZPFOY-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1cccc(C#N)c1 ZINC000724156592 710737517 /nfs/dbraw/zinc/73/75/17/710737517.db2.gz KSEQOMJLXKWAHA-KGLIPLIRSA-N 1 0 230.311 2.167 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1C ZINC000724156574 710737634 /nfs/dbraw/zinc/73/76/34/710737634.db2.gz KKIYZZPOVYYQHH-LSDHHAIUSA-N 1 0 244.338 2.476 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)cc1C ZINC000724156573 710738179 /nfs/dbraw/zinc/73/81/79/710738179.db2.gz KKIYZZPOVYYQHH-HUUCEWRRSA-N 1 0 244.338 2.476 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001042457378 710784399 /nfs/dbraw/zinc/78/43/99/710784399.db2.gz BQLGDRPFRIUHNB-ZDUSSCGKSA-N 1 0 248.370 2.061 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(C)n1 ZINC000384178115 710805448 /nfs/dbraw/zinc/80/54/48/710805448.db2.gz OZZLGCKGIHKJGV-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000384193144 710815424 /nfs/dbraw/zinc/81/54/24/710815424.db2.gz ICUDZEYIYBLXPJ-SMDDNHRTSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C=C2CCC2)[C@H](C)C1 ZINC001044542111 710828136 /nfs/dbraw/zinc/82/81/36/710828136.db2.gz CKAXGZWCVJXVTH-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903085081 710890144 /nfs/dbraw/zinc/89/01/44/710890144.db2.gz PPKDNSKXCIFENL-NTZNESFSSA-N 1 0 247.342 2.153 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC ZINC001049262502 710897484 /nfs/dbraw/zinc/89/74/84/710897484.db2.gz DJDWZGRTINUHDQ-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001049274037 710898702 /nfs/dbraw/zinc/89/87/02/710898702.db2.gz SCXHHBXGLCJCAL-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C=C(C)C ZINC001049293666 710898816 /nfs/dbraw/zinc/89/88/16/710898816.db2.gz VPNXYMKDWGCXSJ-KGLIPLIRSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@@H]1C ZINC001054549818 710938144 /nfs/dbraw/zinc/93/81/44/710938144.db2.gz CCRPZSAJBXQWGC-GXTWGEPZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)C=C2CCC2)CC1 ZINC001052296756 710963480 /nfs/dbraw/zinc/96/34/80/710963480.db2.gz JNZZZRZFNKQGLP-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)C2CC=CC2)CC1 ZINC001052269511 710963810 /nfs/dbraw/zinc/96/38/10/710963810.db2.gz USYJSBZLWIAVHM-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[N@@H+](C)C/C=C(\C)C(=O)OC ZINC000382498489 710971671 /nfs/dbraw/zinc/97/16/71/710971671.db2.gz MWKOCTNWCKSJGO-DHZHZOJOSA-N 1 0 211.305 2.004 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000383151689 710977795 /nfs/dbraw/zinc/97/77/95/710977795.db2.gz JUGOZIMSUAVFEV-LSDHHAIUSA-N 1 0 236.403 2.500 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(OCC#N)cc1 ZINC000383366478 710980561 /nfs/dbraw/zinc/98/05/61/710980561.db2.gz VHHSSWRBKGVZPG-RISCZKNCSA-N 1 0 230.311 2.477 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC1(OC)CCC1 ZINC000384144698 710989995 /nfs/dbraw/zinc/98/99/95/710989995.db2.gz FERIJPSIPZQDQX-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CC(C)(C)CNC(=O)CC[NH2+]C(C)(C)C ZINC000384914671 710999467 /nfs/dbraw/zinc/99/94/67/710999467.db2.gz FDOSGHIXALXNCO-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CCNC(=[NH2+])NC1CCCCC1 ZINC000386670290 711034603 /nfs/dbraw/zinc/03/46/03/711034603.db2.gz GEPQWHFHMDGIPH-UHFFFAOYSA-N 1 0 209.337 2.399 20 30 BEEDRO C[C@H](CSC(C)(C)C)[NH2+]CCC#N ZINC000388604019 711063507 /nfs/dbraw/zinc/06/35/07/711063507.db2.gz UHGKOTADSUNIMG-SECBINFHSA-N 1 0 200.351 2.410 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]CC#Cc2ccccc2)CCO1 ZINC000388667543 711065347 /nfs/dbraw/zinc/06/53/47/711065347.db2.gz GVUDXDRDRJWWTF-ZBFHGGJFSA-N 1 0 243.350 2.443 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000389230021 711073321 /nfs/dbraw/zinc/07/33/21/711073321.db2.gz SUEXZSJBDOMBMG-NEPJUHHUSA-N 1 0 211.374 2.377 20 30 BEEDRO CCCCCCCCNC1=[NH+]CCN1C ZINC000389420056 711078843 /nfs/dbraw/zinc/07/88/43/711078843.db2.gz YFYZGVCYQDJNQD-UHFFFAOYSA-N 1 0 211.353 2.238 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000389587600 711082032 /nfs/dbraw/zinc/08/20/32/711082032.db2.gz AAWZQRUXRMUUBZ-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC12CCC2)[C@H]1CCCO1 ZINC000390157135 711107184 /nfs/dbraw/zinc/10/71/84/711107184.db2.gz XFLIVTGKJYBWFS-XQQFMLRXSA-N 1 0 219.328 2.090 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)C(C)(C)C)[C@H]1CCCO1 ZINC000390169244 711107272 /nfs/dbraw/zinc/10/72/72/711107272.db2.gz GJFDHIGTYGZSRV-RWMBFGLXSA-N 1 0 223.360 2.439 20 30 BEEDRO CCCCCCCCC(=O)N[C@H](C)C[NH2+]C ZINC000390226409 711109751 /nfs/dbraw/zinc/10/97/51/711109751.db2.gz CJFAHCFLYIFXTN-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000390798070 711134718 /nfs/dbraw/zinc/13/47/18/711134718.db2.gz UXBDEIYFACLSCS-LBPRGKRZSA-N 1 0 249.420 2.370 20 30 BEEDRO C=CCC[NH2+][C@H](CCO)c1cccs1 ZINC000393678669 711169190 /nfs/dbraw/zinc/16/91/90/711169190.db2.gz OBGPBRPEOHLNTC-SNVBAGLBSA-N 1 0 211.330 2.337 20 30 BEEDRO C=CCNN=C(C)c1cc(F)c(N)c(F)c1 ZINC000393922831 711179443 /nfs/dbraw/zinc/17/94/43/711179443.db2.gz MQOIGUBTZZQNJF-UHFFFAOYSA-N 1 0 225.242 2.047 20 30 BEEDRO C#CCCC[NH2+][C@H](C(C)C)C1(CO)CCC1 ZINC000393941776 711179564 /nfs/dbraw/zinc/17/95/64/711179564.db2.gz JSVODSDTOJSTEI-CYBMUJFWSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000394434327 711191270 /nfs/dbraw/zinc/19/12/70/711191270.db2.gz ZHPFAPBPVQYWPB-UHFFFAOYSA-N 1 0 248.345 2.179 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071415603 711191779 /nfs/dbraw/zinc/19/17/79/711191779.db2.gz BYVGPLIILJVPQP-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000395308155 711207466 /nfs/dbraw/zinc/20/74/66/711207466.db2.gz YPILNUMVCKDAJS-CHWSQXEVSA-N 1 0 229.364 2.038 20 30 BEEDRO CCN/C(=[NH+]/CC)N1CC[C@@H]2CCCC[C@@H]21 ZINC000395616624 711213367 /nfs/dbraw/zinc/21/33/67/711213367.db2.gz GXKSEWLFNNUPAQ-RYUDHWBXSA-N 1 0 223.364 2.236 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C)CC[C@@H]1C ZINC001072011957 711215018 /nfs/dbraw/zinc/21/50/18/711215018.db2.gz GJEGDARGCJNVOP-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]CC#Cc2ccccc2)O1 ZINC000398072208 711400438 /nfs/dbraw/zinc/40/04/38/711400438.db2.gz MQRSISIUFBMSBI-HIFRSBDPSA-N 1 0 229.323 2.195 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000398092610 711400923 /nfs/dbraw/zinc/40/09/23/711400923.db2.gz YQIBTNWWTZEXAB-AVGNSLFASA-N 1 0 238.375 2.378 20 30 BEEDRO FC(F)OCCC[NH2+]CC#Cc1ccccc1 ZINC000398161522 711403280 /nfs/dbraw/zinc/40/32/80/711403280.db2.gz JOFZFDVQYBZJSV-UHFFFAOYSA-N 1 0 239.265 2.257 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCOC(F)(F)F ZINC000398322142 711408080 /nfs/dbraw/zinc/40/80/80/711408080.db2.gz ZTAIBUIIBRVYSC-MRVPVSSYSA-N 1 0 224.226 2.195 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000381038721 710598949 /nfs/dbraw/zinc/59/89/49/710598949.db2.gz BSZDERZQCVWVSC-QMMMGPOBSA-N 1 0 238.674 2.360 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000381230133 710610570 /nfs/dbraw/zinc/61/05/70/710610570.db2.gz KRKGPMOPADITOE-AGIUHOORSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@@H](CO)C1CC1 ZINC000381289330 710617659 /nfs/dbraw/zinc/61/76/59/710617659.db2.gz AYYQJYWMDHSMOP-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000384129847 710641197 /nfs/dbraw/zinc/64/11/97/710641197.db2.gz CANNXOLOQAMRIY-CQSZACIVSA-N 1 0 232.327 2.290 20 30 BEEDRO Cc1cc(N)cc(C)c1C=[NH+]NCC(F)F ZINC000381633603 710663787 /nfs/dbraw/zinc/66/37/87/710663787.db2.gz NLQPINFCGBRTAN-UHFFFAOYSA-N 1 0 227.258 2.074 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)[C@@H](C)C1 ZINC001044542108 710829809 /nfs/dbraw/zinc/82/98/09/710829809.db2.gz CKAXGZWCVJXVTH-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC ZINC000384208066 710832419 /nfs/dbraw/zinc/83/24/19/710832419.db2.gz NZCOQJUOBZEDNT-SGMGOOAPSA-N 1 0 238.375 2.071 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000383029136 710841364 /nfs/dbraw/zinc/84/13/64/710841364.db2.gz CFJJVBSYKYMECZ-KBPBESRZSA-N 1 0 236.403 2.356 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000903102360 710890901 /nfs/dbraw/zinc/89/09/01/710890901.db2.gz WYMJRHRKMDGVNM-CHWSQXEVSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)/C(C)=C/C ZINC001049409004 710900747 /nfs/dbraw/zinc/90/07/47/710900747.db2.gz YCLKKVNSSHBJFW-ODYZYYDOSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)CC1 ZINC001052886142 710918312 /nfs/dbraw/zinc/91/83/12/710918312.db2.gz HDRLRGPVBXGVRM-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1Cc2ccc(CNC(C)=O)cc2C1 ZINC001054252630 710923830 /nfs/dbraw/zinc/92/38/30/710923830.db2.gz ULZBVKIXROSFOL-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(CC)CC)C[C@H]1C ZINC001054382331 710932555 /nfs/dbraw/zinc/93/25/55/710932555.db2.gz HCDXUTKHWBIUIC-YPMHNXCESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)C)C[C@H]1C ZINC001054390575 710932875 /nfs/dbraw/zinc/93/28/75/710932875.db2.gz WNCNJUCXNVQKDA-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)c1ccccc1F ZINC000387468683 711043440 /nfs/dbraw/zinc/04/34/40/711043440.db2.gz SVMCTOZKJXGSAS-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001071313416 711188983 /nfs/dbraw/zinc/18/89/83/711188983.db2.gz ZIEKLONBUNTURF-NWDGAFQWSA-N 1 0 248.326 2.048 20 30 BEEDRO C#CCO[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000812234206 711462875 /nfs/dbraw/zinc/46/28/75/711462875.db2.gz UUPIEBVDLXZNJP-UHFFFAOYSA-N 1 0 228.295 2.053 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnn(C)c1Cl ZINC000382195251 711473896 /nfs/dbraw/zinc/47/38/96/711473896.db2.gz CXIFZQHGIBKEPZ-UHFFFAOYSA-N 1 0 245.779 2.082 20 30 BEEDRO C=C1CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC1 ZINC000713056904 711481702 /nfs/dbraw/zinc/48/17/02/711481702.db2.gz GGQKGVYOJJLFGF-GFCCVEGCSA-N 1 0 238.375 2.175 20 30 BEEDRO C#CCC[NH2+]C1(CO)CCCCCCC1 ZINC000713447276 711490011 /nfs/dbraw/zinc/49/00/11/711490011.db2.gz PDVVGGPYAMHZNM-UHFFFAOYSA-N 1 0 209.333 2.075 20 30 BEEDRO CCC[NH+]1CCN(Cc2csc(C#N)c2)CC1 ZINC000891438742 711519852 /nfs/dbraw/zinc/51/98/52/711519852.db2.gz SZYNQMCEPVZVMQ-UHFFFAOYSA-N 1 0 249.383 2.147 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CC1 ZINC000723609897 711525325 /nfs/dbraw/zinc/52/53/25/711525325.db2.gz CDFUDCYHBKYSPR-JHJVBQTASA-N 1 0 234.343 2.085 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)CC1 ZINC000723610525 711525804 /nfs/dbraw/zinc/52/58/04/711525804.db2.gz JDEBDWWJEVMUOH-HZSPNIEDSA-N 1 0 248.370 2.475 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723623919 711526708 /nfs/dbraw/zinc/52/67/08/711526708.db2.gz JLYIEDLPDVEICH-QNWHQSFQSA-N 1 0 209.333 2.356 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723626632 711526863 /nfs/dbraw/zinc/52/68/63/711526863.db2.gz CBJBDYVYMXGXOS-BFHYXJOUSA-N 1 0 221.344 2.195 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723623929 711526927 /nfs/dbraw/zinc/52/69/27/711526927.db2.gz JLYIEDLPDVEICH-UMSGYPCISA-N 1 0 209.333 2.356 20 30 BEEDRO N#CCCCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000723967547 711548846 /nfs/dbraw/zinc/54/88/46/711548846.db2.gz CIBDUNKAVBODBZ-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCOC1 ZINC000723977887 711550196 /nfs/dbraw/zinc/55/01/96/711550196.db2.gz YJHIVLYBOWLWMK-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000723978773 711550342 /nfs/dbraw/zinc/55/03/42/711550342.db2.gz SHESTLPMXDMOQM-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCOC1 ZINC000724009823 711555258 /nfs/dbraw/zinc/55/52/58/711555258.db2.gz AAHLANFJXHHVCG-BXUZGUMPSA-N 1 0 248.326 2.446 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715835947 711560564 /nfs/dbraw/zinc/56/05/64/711560564.db2.gz LYSONAUDFLBVIB-WDEREUQCSA-N 1 0 222.336 2.211 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CCCN[C@H]2C)CC1 ZINC000724444663 711581069 /nfs/dbraw/zinc/58/10/69/711581069.db2.gz HWBNRXUBQDJDFC-JSGCOSHPSA-N 1 0 222.376 2.463 20 30 BEEDRO CSC1CC[NH+](Cc2cncc(C#N)c2)CC1 ZINC000721515406 711586029 /nfs/dbraw/zinc/58/60/29/711586029.db2.gz FNXNKKIPQXHQRM-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000724574456 711593503 /nfs/dbraw/zinc/59/35/03/711593503.db2.gz BYJCFUKAUGSOKE-UHFFFAOYSA-N 1 0 223.345 2.374 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC(C2CC2)CC1 ZINC000724834410 711616752 /nfs/dbraw/zinc/61/67/52/711616752.db2.gz JIKJOVFORMVKFY-NSHDSACASA-N 1 0 222.332 2.037 20 30 BEEDRO N#Cc1cncc(C[NH2+]C2(C3CC3)CCC2)c1 ZINC000721520553 711617181 /nfs/dbraw/zinc/61/71/81/711617181.db2.gz DYSHDQDUZHXVDX-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO Cc1cc(N(C)C)ccc1C=[NH+]N[C@@H](C)CC#N ZINC000841634366 711623576 /nfs/dbraw/zinc/62/35/76/711623576.db2.gz YBJTXZMKJJLYBW-LBPRGKRZSA-N 1 0 244.342 2.287 20 30 BEEDRO CC(C)OCCC[NH2+]CC#Cc1ccccc1 ZINC000383551857 711626236 /nfs/dbraw/zinc/62/62/36/711626236.db2.gz OZWFZBQFYQJBJC-UHFFFAOYSA-N 1 0 231.339 2.443 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](C)C1CCCCC1 ZINC000717823273 711626355 /nfs/dbraw/zinc/62/63/55/711626355.db2.gz QHPCCQSTWQYUTA-TZMCWYRMSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721584337 711652838 /nfs/dbraw/zinc/65/28/38/711652838.db2.gz CXJKZIZKUKZVML-QJPTWQEYSA-N 1 0 209.333 2.191 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721593480 711655733 /nfs/dbraw/zinc/65/57/33/711655733.db2.gz LSJBIXJFOSBBHM-UTUOFQBUSA-N 1 0 224.348 2.329 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000926692296 711668041 /nfs/dbraw/zinc/66/80/41/711668041.db2.gz HHSVZALKIQQPTA-IJLUTSLNSA-N 1 0 224.348 2.472 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721615686 711671118 /nfs/dbraw/zinc/67/11/18/711671118.db2.gz SQKDPXYFFSLPHS-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000178061825 711674584 /nfs/dbraw/zinc/67/45/84/711674584.db2.gz BIMRZARSYGKTHD-NSHDSACASA-N 1 0 231.295 2.479 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC=CCC1 ZINC001038046786 711676923 /nfs/dbraw/zinc/67/69/23/711676923.db2.gz WDCQSWMYZNYYQK-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO CC(C)OC1CC[NH+](CCCC#N)CC1 ZINC000531163525 711686068 /nfs/dbraw/zinc/68/60/68/711686068.db2.gz FECKPJHOTKTEOL-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000857237809 711711261 /nfs/dbraw/zinc/71/12/61/711711261.db2.gz UFSDLAUVPLLEED-WOPDTQHZSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccco2)C1 ZINC001027273428 711723173 /nfs/dbraw/zinc/72/31/73/711723173.db2.gz BVDLWCOHBZCUAW-LBPRGKRZSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccco2)C1 ZINC001027273427 711723558 /nfs/dbraw/zinc/72/35/58/711723558.db2.gz BVDLWCOHBZCUAW-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1C[C@]1(C)Br ZINC000893606127 711745061 /nfs/dbraw/zinc/74/50/61/711745061.db2.gz NASMSVCDHRUYNK-AEJSXWLSSA-N 1 0 245.164 2.442 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000893607091 711746084 /nfs/dbraw/zinc/74/60/84/711746084.db2.gz UOLVTURRBSSIIK-ZFDZMSFRSA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3cn[nH]c3)CC2)C1 ZINC000338947948 711767511 /nfs/dbraw/zinc/76/75/11/711767511.db2.gz LJWFFEFLRRVZIM-BXUZGUMPSA-N 1 0 244.342 2.281 20 30 BEEDRO C[N@@H+]1CC[C@@H]2CN(CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573442 711769975 /nfs/dbraw/zinc/76/99/75/711769975.db2.gz OFJIKASVFFKXRQ-ZIAGYGMSSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@@H]1COCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000894419467 711771472 /nfs/dbraw/zinc/77/14/72/711771472.db2.gz FISJVBWWEHWJFR-ZBFHGGJFSA-N 1 0 243.350 2.300 20 30 BEEDRO CC#CCN(C)Cc1nn(C)c2ccccc12 ZINC000897167021 711784512 /nfs/dbraw/zinc/78/45/12/711784512.db2.gz VSXNRLSXYZFOLL-UHFFFAOYSA-N 1 0 227.311 2.028 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(C2CC2)n(C)n1 ZINC000897232197 711785277 /nfs/dbraw/zinc/78/52/77/711785277.db2.gz OLXKHOLQNURCFG-NSHDSACASA-N 1 0 246.358 2.327 20 30 BEEDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000721863207 711791821 /nfs/dbraw/zinc/79/18/21/711791821.db2.gz UHWJVMLOBUQATJ-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(C)C)C1 ZINC000987833661 711792508 /nfs/dbraw/zinc/79/25/08/711792508.db2.gz MHSSGXAIVFMCEJ-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CCN(C)C1)C1CC1 ZINC000125319914 711794437 /nfs/dbraw/zinc/79/44/37/711794437.db2.gz XWNAFVUTKRBQOK-OLZOCXBDSA-N 1 0 208.349 2.025 20 30 BEEDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628781 711798357 /nfs/dbraw/zinc/79/83/57/711798357.db2.gz CHPIZOIBBZNIGX-PSASIEDQSA-N 1 0 221.329 2.293 20 30 BEEDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628787 711798391 /nfs/dbraw/zinc/79/83/91/711798391.db2.gz CHPIZOIBBZNIGX-WPRPVWTQSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@H]([NH2+]Cc1nc(C#N)cs1)[C@@H]1CC1(F)F ZINC000897630338 711798575 /nfs/dbraw/zinc/79/85/75/711798575.db2.gz VYGQVDYQGKZXRJ-XPUUQOCRSA-N 1 0 243.282 2.148 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(F)ccc1F ZINC000160675589 711809381 /nfs/dbraw/zinc/80/93/81/711809381.db2.gz LLVPVZLEUPDBNB-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000160674525 711809512 /nfs/dbraw/zinc/80/95/12/711809512.db2.gz ARIXNPUPZKOUKB-UHFFFAOYSA-N 1 0 218.256 2.098 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000160676726 711809597 /nfs/dbraw/zinc/80/95/97/711809597.db2.gz WOUCFGJBJXSPAT-UHFFFAOYSA-N 1 0 218.256 2.098 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000167716204 711830704 /nfs/dbraw/zinc/83/07/04/711830704.db2.gz LBUPGGNWIPEVRD-NXEZZACHSA-N 1 0 203.713 2.286 20 30 BEEDRO CCCCCCCC(=O)NCC1=CC[NH2+]CC1 ZINC000169271656 711832724 /nfs/dbraw/zinc/83/27/24/711832724.db2.gz BZTMJNDLFHWAKC-UHFFFAOYSA-N 1 0 238.375 2.383 20 30 BEEDRO C#CCCC[NH2+]Cc1c(C)nc2ccccn21 ZINC000228041984 711833430 /nfs/dbraw/zinc/83/34/30/711833430.db2.gz KZZXIMGGBPDYQB-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1c(C)cccc1C ZINC000153338616 711865205 /nfs/dbraw/zinc/86/52/05/711865205.db2.gz SVYBFNOFZGIFLK-UHFFFAOYSA-N 1 0 231.343 2.284 20 30 BEEDRO CCCNC(=[NH2+])NCc1c(C)cccc1C ZINC000153334544 711865252 /nfs/dbraw/zinc/86/52/52/711865252.db2.gz CFUODVKJJJSEHT-UHFFFAOYSA-N 1 0 219.332 2.118 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001032526964 711923976 /nfs/dbraw/zinc/92/39/76/711923976.db2.gz GHGIJRJZBOJLRJ-STQMWFEESA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1(C)CC1 ZINC001032527896 711923986 /nfs/dbraw/zinc/92/39/86/711923986.db2.gz VHKNFVFKYAORDD-STQMWFEESA-N 1 0 248.370 2.038 20 30 BEEDRO CC[C@H](CCO)C[NH2+]Cc1csc(C#N)c1 ZINC000921830802 711943701 /nfs/dbraw/zinc/94/37/01/711943701.db2.gz QEFUEFXHMBNGKX-SNVBAGLBSA-N 1 0 238.356 2.118 20 30 BEEDRO N#CCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921985496 711950938 /nfs/dbraw/zinc/95/09/38/711950938.db2.gz SACWPKOLWAJFDP-UHFFFAOYSA-N 1 0 218.304 2.001 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)C[C@H](C)O ZINC000921985834 711951350 /nfs/dbraw/zinc/95/13/50/711951350.db2.gz BYSJPCADOZPJHX-STQMWFEESA-N 1 0 246.354 2.424 20 30 BEEDRO Cc1cnc(Cl)c(C[NH2+]CCCC#N)c1 ZINC000921984747 711952206 /nfs/dbraw/zinc/95/22/06/711952206.db2.gz LBJSMIVYOIMYIX-UHFFFAOYSA-N 1 0 223.707 2.437 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2ccco2)C1 ZINC001032864267 711965379 /nfs/dbraw/zinc/96/53/79/711965379.db2.gz FJEMVLYWBSVVOS-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+]C2(C3CC3)CC2)cc1 ZINC000700034157 711983741 /nfs/dbraw/zinc/98/37/41/711983741.db2.gz LTTCTWZLJCHZEY-CQSZACIVSA-N 1 0 242.322 2.124 20 30 BEEDRO C=CCC1([NH2+]CC(OC)OC)CCCC1 ZINC000700783923 712004989 /nfs/dbraw/zinc/00/49/89/712004989.db2.gz YUXDRPPZEZTUEP-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)C)C1 ZINC001033610204 712008542 /nfs/dbraw/zinc/00/85/42/712008542.db2.gz SFKIKDUOCUYEAY-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1C#N ZINC000701873118 712030851 /nfs/dbraw/zinc/03/08/51/712030851.db2.gz OKXQYYCCYFLTPI-AWEZNQCLSA-N 1 0 244.338 2.383 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CCCN[C@H]1C ZINC000701911391 712031841 /nfs/dbraw/zinc/03/18/41/712031841.db2.gz VSPJREVICDONIX-RYUDHWBXSA-N 1 0 210.365 2.319 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C)cc1C#N ZINC000701861779 712031245 /nfs/dbraw/zinc/03/12/45/712031245.db2.gz RTLQSNCNRSPFSV-FZMZJTMJSA-N 1 0 230.311 2.134 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1C#N ZINC000701859066 712031269 /nfs/dbraw/zinc/03/12/69/712031269.db2.gz UHMYKWFGENZCHV-RISCZKNCSA-N 1 0 230.311 2.134 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CCSC2)cc1C#N ZINC000701844098 712031510 /nfs/dbraw/zinc/03/15/10/712031510.db2.gz SNZGLSAPKGDQQY-ZDUSSCGKSA-N 1 0 232.352 2.462 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)C1(Cl)CC1 ZINC000702254800 712041709 /nfs/dbraw/zinc/04/17/09/712041709.db2.gz CLKQYGHCNLCOPG-JTQLQIEISA-N 1 0 217.740 2.329 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1COCC1(C)C)C(C)(C)C ZINC000702226238 712043238 /nfs/dbraw/zinc/04/32/38/712043238.db2.gz CMKIOVGGTNEYAF-WDEREUQCSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](CCC)OC)C(C)(C)C ZINC000702230125 712043499 /nfs/dbraw/zinc/04/34/99/712043499.db2.gz YBMMDEXNVKPAIJ-VXGBXAGGSA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(C)(C)C ZINC000702278926 712045073 /nfs/dbraw/zinc/04/50/73/712045073.db2.gz ZSSXKVIGTSOWEZ-UPJWGTAASA-N 1 0 222.376 2.107 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CC[C@H]1SC ZINC000702427222 712052497 /nfs/dbraw/zinc/05/24/97/712052497.db2.gz RWSWBCJNOPXKOI-JGVFFNPUSA-N 1 0 236.178 2.379 20 30 BEEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccco2)CC1 ZINC001034581090 712069033 /nfs/dbraw/zinc/06/90/33/712069033.db2.gz QKJVGOXZTMKKLO-HAQNSBGRSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[C@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000703639279 712082268 /nfs/dbraw/zinc/08/22/68/712082268.db2.gz GAMDGOBXMRKZAM-QWHCGFSZSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C/C=C\C(=O)OCC)C1 ZINC000703691213 712083901 /nfs/dbraw/zinc/08/39/01/712083901.db2.gz SHHPTXYCZGBYHK-SMYYYNMVSA-N 1 0 223.316 2.004 20 30 BEEDRO CCCCCCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000703707475 712083952 /nfs/dbraw/zinc/08/39/52/712083952.db2.gz BUOFFJNCVHMJQH-LBPRGKRZSA-N 1 0 226.364 2.073 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000703712724 712084464 /nfs/dbraw/zinc/08/44/64/712084464.db2.gz DTCKFTSJKGPBEU-OLZOCXBDSA-N 1 0 240.391 2.461 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000703756932 712085051 /nfs/dbraw/zinc/08/50/51/712085051.db2.gz OYNKLBWFJFXYKY-RYUDHWBXSA-N 1 0 226.364 2.071 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000703756930 712085218 /nfs/dbraw/zinc/08/52/18/712085218.db2.gz OYNKLBWFJFXYKY-NEPJUHHUSA-N 1 0 226.364 2.071 20 30 BEEDRO CCCCCCCNC(=O)CC1([NH3+])CCC1 ZINC000703756266 712085330 /nfs/dbraw/zinc/08/53/30/712085330.db2.gz KRONGJTVXPEMTO-UHFFFAOYSA-N 1 0 226.364 2.345 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703838965 712089807 /nfs/dbraw/zinc/08/98/07/712089807.db2.gz FQFSIYVFKVKQPS-NEPJUHHUSA-N 1 0 209.358 2.370 20 30 BEEDRO COc1ccc(C[NH2+]CC[C@@H](C)F)cc1C#N ZINC000705686792 712134283 /nfs/dbraw/zinc/13/42/83/712134283.db2.gz TWJOJTSXFCMCSM-SNVBAGLBSA-N 1 0 236.290 2.405 20 30 BEEDRO C[C@@H](F)CC[NH2+]CC#Cc1ccccc1 ZINC000705667542 712135286 /nfs/dbraw/zinc/13/52/86/712135286.db2.gz GNXAQYNSSJMXEE-GFCCVEGCSA-N 1 0 205.276 2.376 20 30 BEEDRO C=CC[NH+]1CC2(C1)CCN(C(=O)/C(C)=C\C)CC2 ZINC001035684398 712139392 /nfs/dbraw/zinc/13/93/92/712139392.db2.gz RZOGZTDNEZLVBT-ACAGNQJTSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000706216104 712140865 /nfs/dbraw/zinc/14/08/65/712140865.db2.gz SATPDAYHCBLAPD-SNVBAGLBSA-N 1 0 217.740 2.222 20 30 BEEDRO C=CC(C)(C)CCNC(NCC)=[NH+]CC ZINC000706413748 712145940 /nfs/dbraw/zinc/14/59/40/712145940.db2.gz ISTAVNUWNVQUDE-UHFFFAOYSA-N 1 0 211.353 2.164 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CCC)C[C@@H]1C ZINC001035876059 712146897 /nfs/dbraw/zinc/14/68/97/712146897.db2.gz SONDHHNDZIPVOL-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)C)C[C@@H]1C ZINC001035933423 712150599 /nfs/dbraw/zinc/15/05/99/712150599.db2.gz VESNHVBSXNZCAC-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO COc1cc(C[N@@H+]2C[C@@H](C)[C@H]2C)ccc1C#N ZINC000706786892 712155197 /nfs/dbraw/zinc/15/51/97/712155197.db2.gz ICUAGJDKXCLBCK-GHMZBOCLSA-N 1 0 230.311 2.407 20 30 BEEDRO C#CC1(O)CC[NH+](CCCCCCC)CC1 ZINC000708115599 712182022 /nfs/dbraw/zinc/18/20/22/712182022.db2.gz LIHVVKUEPLTYSW-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2cccc(Cl)c2)CC1 ZINC000708142011 712182966 /nfs/dbraw/zinc/18/29/66/712182966.db2.gz BCCRMFXDENAAHX-UHFFFAOYSA-N 1 0 249.741 2.300 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000708344204 712188999 /nfs/dbraw/zinc/18/89/99/712188999.db2.gz DFJYZEROJKAYPV-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708842320 712200512 /nfs/dbraw/zinc/20/05/12/712200512.db2.gz YIVVZYKUSGXZAI-SYQHCUMBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708842324 712200774 /nfs/dbraw/zinc/20/07/74/712200774.db2.gz YIVVZYKUSGXZAI-YIYPIFLZSA-N 1 0 236.359 2.473 20 30 BEEDRO COCC#CC[NH2+][C@H](C)[C@]12C[C@H]1CCCC2 ZINC000708855344 712201346 /nfs/dbraw/zinc/20/13/46/712201346.db2.gz MJDKQENCZJJUTN-MCIONIFRSA-N 1 0 221.344 2.195 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000708881830 712202600 /nfs/dbraw/zinc/20/26/00/712202600.db2.gz KLVGJWCTANILSR-GASCZTMLSA-N 1 0 229.323 2.053 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CCO)CC1 ZINC000710007526 712239322 /nfs/dbraw/zinc/23/93/22/712239322.db2.gz CJNODIATIZBKNI-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1cn(C)cn1 ZINC000710015963 712240786 /nfs/dbraw/zinc/24/07/86/712240786.db2.gz VOHQNVVCPJKPIQ-LLVKDONJSA-N 1 0 239.388 2.380 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711030008 712275450 /nfs/dbraw/zinc/27/54/50/712275450.db2.gz BOCSBXIJMSHESZ-CRWXNKLISA-N 1 0 221.344 2.193 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711310765 712293668 /nfs/dbraw/zinc/29/36/68/712293668.db2.gz CXSXYOUVLGUOKV-GFCCVEGCSA-N 1 0 240.391 2.319 20 30 BEEDRO COc1cc(C[N@@H+]2CC[C@@H](CF)C2)ccc1C#N ZINC000711434993 712299995 /nfs/dbraw/zinc/29/99/95/712299995.db2.gz KYZUKYJEUSOPCP-LBPRGKRZSA-N 1 0 248.301 2.358 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2C=CCC2)n1 ZINC000711720770 712320243 /nfs/dbraw/zinc/32/02/43/712320243.db2.gz WLPOLAKGDGJNBE-SECBINFHSA-N 1 0 219.313 2.071 20 30 BEEDRO N#CCCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711831303 712333351 /nfs/dbraw/zinc/33/33/51/712333351.db2.gz CMBJMTONSWAWCA-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711906596 712337373 /nfs/dbraw/zinc/33/73/73/712337373.db2.gz IWAGXBJLIMWOAG-OLZOCXBDSA-N 1 0 234.343 2.085 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)CC1 ZINC000711906592 712337589 /nfs/dbraw/zinc/33/75/89/712337589.db2.gz IWAGXBJLIMWOAG-CHWSQXEVSA-N 1 0 234.343 2.085 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C=C2CCC2)C1 ZINC001079554047 712350094 /nfs/dbraw/zinc/35/00/94/712350094.db2.gz NLIGXBIZELSZSY-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)=C2CCC2)C1 ZINC001079676484 712350161 /nfs/dbraw/zinc/35/01/61/712350161.db2.gz TZTAQFLNNZDPQA-BXUZGUMPSA-N 1 0 248.370 2.109 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccoc2)C1 ZINC000378718733 712358326 /nfs/dbraw/zinc/35/83/26/712358326.db2.gz DNRVSAJDTDTZMV-JQWIXIFHSA-N 1 0 204.273 2.452 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000379182795 712370970 /nfs/dbraw/zinc/37/09/70/712370970.db2.gz PYROGWNUSVCRBT-VHSXEESVSA-N 1 0 203.713 2.286 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCc2ccsc2C1 ZINC000712298264 712395287 /nfs/dbraw/zinc/39/52/87/712395287.db2.gz JNICVSLXRSHIPJ-JTQLQIEISA-N 1 0 236.340 2.035 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H]1CCCC1(C)C ZINC000379797082 712403389 /nfs/dbraw/zinc/40/33/89/712403389.db2.gz IUEWZMRPFDHJDY-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@H]1CCC2(CCC2)O1 ZINC000712386100 712428835 /nfs/dbraw/zinc/42/88/35/712428835.db2.gz JIXMZAVTDYHMIM-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000712619007 712438465 /nfs/dbraw/zinc/43/84/65/712438465.db2.gz XLBVFLXJNWXAOL-IUODEOHRSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@H]2CCN2C)cc1 ZINC000712616883 712438597 /nfs/dbraw/zinc/43/85/97/712438597.db2.gz SKKMJCSDTUXSPJ-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCN(CC=C)C(=O)C(C)(C)[C@@H]([NH3+])C(C)C ZINC000713094540 712452287 /nfs/dbraw/zinc/45/22/87/712452287.db2.gz XHEOJNIJDFLSGF-LBPRGKRZSA-N 1 0 238.375 2.197 20 30 BEEDRO C[C@@H](CC#N)N(C)C[C@@H]1CCC(C)(C)CO1 ZINC000713619307 712467126 /nfs/dbraw/zinc/46/71/26/712467126.db2.gz NDLHLBIQNRLVEW-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2F)C1 ZINC000714585175 712487609 /nfs/dbraw/zinc/48/76/09/712487609.db2.gz WJGSHFNFGTUUST-AULYBMBSSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cn(CCC)nn1 ZINC000714438401 712487865 /nfs/dbraw/zinc/48/78/65/712487865.db2.gz SOLDWPRGEPJRMR-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(CCC)nn1 ZINC000714475226 712491063 /nfs/dbraw/zinc/49/10/63/712491063.db2.gz GHZUNTAUPOEKQS-UHFFFAOYSA-N 1 0 222.336 2.134 20 30 BEEDRO C=CCC1([NH2+]Cc2cn(CC)nn2)CCCC1 ZINC000714863250 712501525 /nfs/dbraw/zinc/50/15/25/712501525.db2.gz CHCZCGURDNNDEB-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715134750 712514550 /nfs/dbraw/zinc/51/45/50/712514550.db2.gz UYTZQDBGEXMWNA-MNOVXSKESA-N 1 0 213.321 2.082 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000715414675 712517568 /nfs/dbraw/zinc/51/75/68/712517568.db2.gz JIRJTSUUPGJOEU-TXEJJXNPSA-N 1 0 234.249 2.255 20 30 BEEDRO N#CC1CC[NH+](C[C@H]2CC[C@H](C3CC3)O2)CC1 ZINC000715415281 712518017 /nfs/dbraw/zinc/51/80/17/712518017.db2.gz PWPMYQTYTBWMJD-ZIAGYGMSSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000715846631 712535970 /nfs/dbraw/zinc/53/59/70/712535970.db2.gz XCSLPHNUOHLCDK-LLVKDONJSA-N 1 0 222.336 2.305 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cn(CCC)nn1 ZINC000715926501 712543108 /nfs/dbraw/zinc/54/31/08/712543108.db2.gz HOGGHBBXDTWSIX-LLVKDONJSA-N 1 0 222.336 2.305 20 30 BEEDRO C#CC[C@H](COC)Nc1nc2ccccc2[nH]1 ZINC000716387592 712557780 /nfs/dbraw/zinc/55/77/80/712557780.db2.gz HUKBKHCNQMTUOK-SNVBAGLBSA-N 1 0 229.283 2.013 20 30 BEEDRO C#CC[C@@H](COC)Nc1cc[nH+]c2ccccc12 ZINC000716416734 712559560 /nfs/dbraw/zinc/55/95/60/712559560.db2.gz JHBXECQUTLBMPZ-LBPRGKRZSA-N 1 0 240.306 2.107 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000716823442 712577016 /nfs/dbraw/zinc/57/70/16/712577016.db2.gz ZHBKEEFCTPGCKQ-MGPQQGTHSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000716830414 712577274 /nfs/dbraw/zinc/57/72/74/712577274.db2.gz WBPUNSJAUVAJHE-UTUOFQBUSA-N 1 0 209.333 2.049 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000716829916 712577351 /nfs/dbraw/zinc/57/73/51/712577351.db2.gz SWKZVHSKBURORT-YIYPIFLZSA-N 1 0 221.344 2.051 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000809643818 712584886 /nfs/dbraw/zinc/58/48/86/712584886.db2.gz KMYXUECBUZAVNU-HUUCEWRRSA-N 1 0 224.307 2.450 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CC2(O)CCC2)cc1 ZINC000809639714 712584901 /nfs/dbraw/zinc/58/49/01/712584901.db2.gz OUAACZJSBUOFGE-UHFFFAOYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000825227745 712592125 /nfs/dbraw/zinc/59/21/25/712592125.db2.gz ZNADBWPJHWKKSE-IUODEOHRSA-N 1 0 229.323 2.325 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CC(C(C)C)C1 ZINC000716928911 712596741 /nfs/dbraw/zinc/59/67/41/712596741.db2.gz PHUSAIIIHXPTQM-OTTFEQOBSA-N 1 0 209.333 2.049 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccccc1C ZINC000716930042 712596734 /nfs/dbraw/zinc/59/67/34/712596734.db2.gz WYHXRMOVBDMXEI-AWEZNQCLSA-N 1 0 217.312 2.123 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000716930293 712596825 /nfs/dbraw/zinc/59/68/25/712596825.db2.gz ZTYDPNMBHWCJBP-XJFOESAGSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(CC)cc1 ZINC000716935119 712597192 /nfs/dbraw/zinc/59/71/92/712597192.db2.gz NJQFBNOOYTUEQW-HNNXBMFYSA-N 1 0 231.339 2.377 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000716948700 712598737 /nfs/dbraw/zinc/59/87/37/712598737.db2.gz QWWWZIAUXTZEKG-IUODEOHRSA-N 1 0 249.329 2.385 20 30 BEEDRO C=C(C)CN(CC)C(=O)CC[NH2+]C(C)(C)C ZINC000037482727 712648490 /nfs/dbraw/zinc/64/84/90/712648490.db2.gz JZZWTLAAKXNSFR-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000717520176 712660170 /nfs/dbraw/zinc/66/01/70/712660170.db2.gz CGNNTWRRQBMKTK-NEPJUHHUSA-N 1 0 209.333 2.236 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C)cc1Cl ZINC000717709165 712664295 /nfs/dbraw/zinc/66/42/95/712664295.db2.gz GYAFTHLJRQAUGX-GFCCVEGCSA-N 1 0 237.730 2.122 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000717698362 712665321 /nfs/dbraw/zinc/66/53/21/712665321.db2.gz DYZYKRKQMQFDAZ-QLFBSQMISA-N 1 0 235.371 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C ZINC000717710702 712666450 /nfs/dbraw/zinc/66/64/50/712666450.db2.gz SBBFIUBACGAJBA-NWDGAFQWSA-N 1 0 211.349 2.175 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H]1CCCC[C@H]1CC ZINC000717709575 712666484 /nfs/dbraw/zinc/66/64/84/712666484.db2.gz IGRSYUOFBQPLJC-MGPQQGTHSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000717762529 712674435 /nfs/dbraw/zinc/67/44/35/712674435.db2.gz BPZWLYIMCXUVLT-JKSUJKDBSA-N 1 0 245.366 2.372 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000717777769 712675517 /nfs/dbraw/zinc/67/55/17/712675517.db2.gz UUUOVYLFDVZBIF-WFASDCNBSA-N 1 0 249.329 2.121 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cc1cccc(F)c1 ZINC000717777764 712675638 /nfs/dbraw/zinc/67/56/38/712675638.db2.gz UUUOVYLFDVZBIF-DOMZBBRYSA-N 1 0 249.329 2.121 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000717785973 712676865 /nfs/dbraw/zinc/67/68/65/712676865.db2.gz HHSXMHINUHTECY-HNNXBMFYSA-N 1 0 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240.391 2.293 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001690981687 1165801411 /nfs/dbraw/zinc/80/14/11/1165801411.db2.gz ALABMNQWXUIYRI-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCCCCOC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC001239334272 966861438 /nfs/dbraw/zinc/86/14/38/966861438.db2.gz UFUCQGZBGXQJDR-GFCCVEGCSA-N 1 0 242.363 2.387 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H]1CCC[C@@H]1C ZINC001127928235 966865880 /nfs/dbraw/zinc/86/58/80/966865880.db2.gz HAOIQCKYEHZRMK-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[N@H+]1CC(C)(C)CC[C@H]1CNC(=O)CC ZINC001098844272 967047518 /nfs/dbraw/zinc/04/75/18/967047518.db2.gz DZPCDWHRATYJDY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCCCC(=O)N(C)C[C@H](C)[NH2+]CC ZINC001772513306 1165818011 /nfs/dbraw/zinc/81/80/11/1165818011.db2.gz SMQCAKWGRNRTNL-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)C/C=C(\C)C=C)C1CC1 ZINC001266424902 1165831307 /nfs/dbraw/zinc/83/13/07/1165831307.db2.gz 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ZCHSQEAOLBXOMZ-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H](CC)CO ZINC001252120043 968606630 /nfs/dbraw/zinc/60/66/30/968606630.db2.gz MFJLCOFYGVGVTH-KBPBESRZSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C1(C)COC1 ZINC001252135937 968609177 /nfs/dbraw/zinc/60/91/77/968609177.db2.gz JGGYPPDHCLQOKC-ZDUSSCGKSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CC[C@H](C)O ZINC001252139526 968609400 /nfs/dbraw/zinc/60/94/00/968609400.db2.gz KAGXJKOMQDKVJU-UONOGXRCSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C1(C)COC1 ZINC001252135936 968610034 /nfs/dbraw/zinc/61/00/34/968610034.db2.gz JGGYPPDHCLQOKC-CYBMUJFWSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCO1 ZINC001252135618 968610136 /nfs/dbraw/zinc/61/01/36/968610136.db2.gz GNBSIQMYVFBGHL-KGLIPLIRSA-N 1 0 243.391 2.476 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1CC(C)C1 ZINC001125509418 1166073105 /nfs/dbraw/zinc/07/31/05/1166073105.db2.gz SUZJMZYPPFJMHL-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO CC1(C)C[C@H](C[N@@H+]2CCC[C@@H](C#N)C2)CCO1 ZINC001207358143 968738020 /nfs/dbraw/zinc/73/80/20/968738020.db2.gz CFZDWBHUGFMPKS-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CN(C(C)=O)C[C@H]1C ZINC001724926500 1166110909 /nfs/dbraw/zinc/11/09/09/1166110909.db2.gz NZEDULAONNQSGG-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC001252550867 968789771 /nfs/dbraw/zinc/78/97/71/968789771.db2.gz PEOZUXZNBLDUCV-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179205 968820167 /nfs/dbraw/zinc/82/01/67/968820167.db2.gz LGHLIRUHLMQONJ-NEPJUHHUSA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cnc(C(C)C)s1 ZINC001252581519 968834416 /nfs/dbraw/zinc/83/44/16/968834416.db2.gz HKGRKDPEESHVJY-LBPRGKRZSA-N 1 0 240.372 2.293 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](CC)c1ccccn1 ZINC001252575764 968828777 /nfs/dbraw/zinc/82/87/77/968828777.db2.gz FSKHEJFKMCRHNW-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO CC[N@H+](CCC#N)C[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001207626892 968842289 /nfs/dbraw/zinc/84/22/89/968842289.db2.gz NJXAVGXXEBHBCP-YNEHKIRRSA-N 1 0 204.317 2.434 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](CCC#N)C1CCCC1 ZINC001252598108 968855763 /nfs/dbraw/zinc/85/57/63/968855763.db2.gz JGDVBZJRNQVODB-CQSZACIVSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccc(C)nc1 ZINC001252602493 968858885 /nfs/dbraw/zinc/85/88/85/968858885.db2.gz SPTXGMLSXSRUMM-AWEZNQCLSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccoc1C ZINC001252617748 968876935 /nfs/dbraw/zinc/87/69/35/968876935.db2.gz JNFPURADTOZNSK-GFCCVEGCSA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1ccccn1 ZINC001252617280 968878239 /nfs/dbraw/zinc/87/82/39/968878239.db2.gz BTGORYXHLYZDJR-CHWSQXEVSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(CC2CC2)CC1 ZINC001252623780 968886765 /nfs/dbraw/zinc/88/67/65/968886765.db2.gz QSPBLWBJITUUEU-LBPRGKRZSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[N@H+](CCNC(=O)C=C1CCC1)C1CC1 ZINC001691205527 1166161387 /nfs/dbraw/zinc/16/13/87/1166161387.db2.gz XMCHVMIEPCMUDZ-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO CCC[C@@H](O)C[N@H+](CCC#N)C1CCCC1 ZINC001252783456 968954611 /nfs/dbraw/zinc/95/46/11/968954611.db2.gz GBLBARPOCOCASZ-CYBMUJFWSA-N 1 0 224.348 2.306 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C[C@@H](C)CC ZINC001691303013 1166191932 /nfs/dbraw/zinc/19/19/32/1166191932.db2.gz HPNZDQZSLSKXPD-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(C)=O)c1ccccc1 ZINC001691773330 1166203772 /nfs/dbraw/zinc/20/37/72/1166203772.db2.gz XFYJGELDOJOOCV-CQSZACIVSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]C1(C)COC1 ZINC001253246962 969121134 /nfs/dbraw/zinc/12/11/34/969121134.db2.gz DYBUWFFQJGVAOS-ZDUSSCGKSA-N 1 0 241.375 2.252 20 30 BEEDRO N#Cc1cc(F)cc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000226473993 1166261702 /nfs/dbraw/zinc/26/17/02/1166261702.db2.gz RYGPNFXPQFGDAO-LBPRGKRZSA-N 1 0 233.290 2.251 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)CCSC ZINC000228915197 1166262293 /nfs/dbraw/zinc/26/22/93/1166262293.db2.gz ZIGXEJYZYJISCH-NXEZZACHSA-N 1 0 200.351 2.410 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@H](O)C=C ZINC001253584445 969263093 /nfs/dbraw/zinc/26/30/93/969263093.db2.gz NEQMMIIFZQBZCX-CQSZACIVSA-N 1 0 217.312 2.222 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1cccc(OC)c1 ZINC001253585104 969267911 /nfs/dbraw/zinc/26/79/11/969267911.db2.gz VBLHYRWACBNIAC-CYBMUJFWSA-N 1 0 235.327 2.064 20 30 BEEDRO Cc1cc(CC#N)ccc1-n1cccc1C[NH3+] ZINC001167595604 1166297687 /nfs/dbraw/zinc/29/76/87/1166297687.db2.gz GSYOCXIHGMXTQA-UHFFFAOYSA-N 1 0 225.295 2.311 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CC12CCC(F)(F)CC2 ZINC001253606244 969300985 /nfs/dbraw/zinc/30/09/85/969300985.db2.gz CQPGABKZJIFWMO-ZJUUUORDSA-N 1 0 231.286 2.091 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1cccc(OC)c1 ZINC001253606897 969304507 /nfs/dbraw/zinc/30/45/07/969304507.db2.gz NYDRPEHGKSYBAB-GFCCVEGCSA-N 1 0 235.327 2.067 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001267214731 1166325466 /nfs/dbraw/zinc/32/54/66/1166325466.db2.gz BNSZPMGNNQFTKJ-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)c1ccc(C)cc1 ZINC001267227542 1166340607 /nfs/dbraw/zinc/34/06/07/1166340607.db2.gz VCXSRCFJHFFOMC-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CCCC[NH+]1CCN(CCCC)CC1 ZINC001209162300 969362207 /nfs/dbraw/zinc/36/22/07/969362207.db2.gz WXTIWQSTGFROPQ-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001209200816 969387141 /nfs/dbraw/zinc/38/71/41/969387141.db2.gz PFGFAXLEIPRTSH-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000224941785 1166376772 /nfs/dbraw/zinc/37/67/72/1166376772.db2.gz YGYZXUINDJCMFB-GFCCVEGCSA-N 1 0 231.299 2.014 20 30 BEEDRO C=CCCCC[NH+]1CCC2(COC2)CC1 ZINC001209201834 969389892 /nfs/dbraw/zinc/38/98/92/969389892.db2.gz USWNQSKZAWLHHY-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H]2[C@H](C(=O)OCC)[C@H]2C1 ZINC001209206859 969394857 /nfs/dbraw/zinc/39/48/57/969394857.db2.gz CDYGCHPRLNREAQ-ITGUQSILSA-N 1 0 237.343 2.084 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]1CNC(=O)/C(C)=C\C ZINC001754479105 1166380740 /nfs/dbraw/zinc/38/07/40/1166380740.db2.gz UGEFBPMCAGYSIZ-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCC[N@@H+](CCC#N)CCCCOC ZINC001209218632 969404902 /nfs/dbraw/zinc/40/49/02/969404902.db2.gz RXNWRYXPKMKKMM-UHFFFAOYSA-N 1 0 212.337 2.429 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H](C(=O)OCC)C1 ZINC001209269417 969423392 /nfs/dbraw/zinc/42/33/92/969423392.db2.gz JRNFZPJHGRYDJG-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C=CC[N@@H+](CCCC1OCCO1)C(C)(C)C ZINC001209309558 969436098 /nfs/dbraw/zinc/43/60/98/969436098.db2.gz PXMRMAUHVQVBIS-UHFFFAOYSA-N 1 0 227.348 2.426 20 30 BEEDRO COC(C)(C)CC[NH+]1CCC(S)CC1 ZINC001209408992 969472950 /nfs/dbraw/zinc/47/29/50/969472950.db2.gz LWEQMEIXYXAVFJ-UHFFFAOYSA-N 1 0 217.378 2.196 20 30 BEEDRO C=CCCCCC[N@H+]1CC(=O)N2CCC[C@@H]2C1 ZINC001209428581 969495408 /nfs/dbraw/zinc/49/54/08/969495408.db2.gz MMBYLLAUCKPVMZ-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cncn1CCC ZINC000169138587 1166431152 /nfs/dbraw/zinc/43/11/52/1166431152.db2.gz PVHRMXOZULTPSE-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO CCN1CCC([NH+]2CCC(CC#N)CC2)CC1 ZINC001169258959 969542281 /nfs/dbraw/zinc/54/22/81/969542281.db2.gz WGQRYOXWJTZFTD-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO N#C[C@@H]1CC[N@@H+](C2CCC(F)(F)CC2)C1 ZINC001254224279 969545495 /nfs/dbraw/zinc/54/54/95/969545495.db2.gz UTKAIFNZICRRET-VIFPVBQESA-N 1 0 214.259 2.410 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@]2(C)C=CCC2)C1 ZINC001691458407 1166445998 /nfs/dbraw/zinc/44/59/98/1166445998.db2.gz SSTZYIYOWKPVHI-GUTXKFCHSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)CC ZINC001671270950 1166478018 /nfs/dbraw/zinc/47/80/18/1166478018.db2.gz SIEKPYJUIRXJDO-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC1(C[NH+]2CCC(CC#N)CC2)COC1 ZINC000260960005 1166487985 /nfs/dbraw/zinc/48/79/85/1166487985.db2.gz INYFHPSJDZGUGZ-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@H]1CCCCN1C(C)=O ZINC001752130388 1166506980 /nfs/dbraw/zinc/50/69/80/1166506980.db2.gz GGBHHFARDSCPNJ-CMPLNLGQSA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCCN1C(C)=O ZINC001752130394 1166507019 /nfs/dbraw/zinc/50/70/19/1166507019.db2.gz GGBHHFARDSCPNJ-JQWIXIFHSA-N 1 0 244.766 2.118 20 30 BEEDRO Cc1cnccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC001254634453 969751805 /nfs/dbraw/zinc/75/18/05/969751805.db2.gz FIDLJEHZJRBDTI-DGCLKSJQSA-N 1 0 215.300 2.172 20 30 BEEDRO CC[N@H+](C)C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677420 969785395 /nfs/dbraw/zinc/78/53/95/969785395.db2.gz SXYGMPPJCQHGTC-OCCSQVGLSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCNC(=O)C[NH2+]Cc1c(C)cc(C)cc1C ZINC000393850283 1166541872 /nfs/dbraw/zinc/54/18/72/1166541872.db2.gz QWBJGKXVNOKNNU-UHFFFAOYSA-N 1 0 246.354 2.004 20 30 BEEDRO C#CCCC1(CC[NH2+]C2CCSCC2)N=N1 ZINC001255087715 969921530 /nfs/dbraw/zinc/92/15/30/969921530.db2.gz GGRLINHKPALCBP-UHFFFAOYSA-N 1 0 237.372 2.437 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1cnccc1C ZINC000309582482 1166579151 /nfs/dbraw/zinc/57/91/51/1166579151.db2.gz QUUADNRPMQIEMU-NEPJUHHUSA-N 1 0 220.316 2.242 20 30 BEEDRO C#CCN1CC[NH+](C2CCC(C)(C)CC2)CC1 ZINC001255308221 970070855 /nfs/dbraw/zinc/07/08/55/970070855.db2.gz NCICKSSRBSMUDT-UHFFFAOYSA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCNCC[NH+](CC(C)C)CC(C)C ZINC000053389764 1166601149 /nfs/dbraw/zinc/60/11/49/1166601149.db2.gz ULGRUEBEDQIMIC-UHFFFAOYSA-N 1 0 212.381 2.376 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@H]([NH2+]CCCS)C1 ZINC001255344634 970123122 /nfs/dbraw/zinc/12/31/22/970123122.db2.gz RJEWXNUHVJUHLB-QWRGUYRKSA-N 1 0 245.388 2.018 20 30 BEEDRO C=C(C)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000309305816 1166633635 /nfs/dbraw/zinc/63/36/35/1166633635.db2.gz ASEKGXKKMFMKJE-TZMCWYRMSA-N 1 0 219.328 2.317 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787418 1166684243 /nfs/dbraw/zinc/68/42/43/1166684243.db2.gz NBHFZYYORXPPMZ-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CCCC1 ZINC000695811973 1166689373 /nfs/dbraw/zinc/68/93/73/1166689373.db2.gz LKCAGKCNBVIUEY-GFCCVEGCSA-N 1 0 223.364 2.000 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCOC(C)(C)C2)C1 ZINC001255551324 970322310 /nfs/dbraw/zinc/32/23/10/970322310.db2.gz KIMYDYKCRJSTPL-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO COC[C@@H](C)N(CCC#N)Cc1ccccc1 ZINC001255567086 970360179 /nfs/dbraw/zinc/36/01/79/970360179.db2.gz APEXGDMTXMQILT-CYBMUJFWSA-N 1 0 232.327 2.437 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)CCC ZINC001699438350 1166719349 /nfs/dbraw/zinc/71/93/49/1166719349.db2.gz PZWORHPKKPJWNZ-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H](OC)C1 ZINC000686679952 1166745983 /nfs/dbraw/zinc/74/59/83/1166745983.db2.gz VXVSLQGLVOASRE-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)c1ccccc1 ZINC001714204159 1166806419 /nfs/dbraw/zinc/80/64/19/1166806419.db2.gz UCXNOQBQPYQMKW-CYBMUJFWSA-N 1 0 246.354 2.361 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)CC ZINC001268102321 1166847058 /nfs/dbraw/zinc/84/70/58/1166847058.db2.gz SNDOHZDTWIWMRP-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(OC)OC ZINC000692220508 1166872322 /nfs/dbraw/zinc/87/23/22/1166872322.db2.gz QXCULYOBNKQXHX-RYUDHWBXSA-N 1 0 227.348 2.330 20 30 BEEDRO C=C[C@H](O)C[NH2+]C([Si](C)(C)C)[Si](C)(C)C ZINC000195981969 1166882407 /nfs/dbraw/zinc/88/24/07/1166882407.db2.gz GLCTVSZQTURACX-JTQLQIEISA-N 1 0 245.515 2.246 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(CCC)CC1 ZINC001282183041 1166883701 /nfs/dbraw/zinc/88/37/01/1166883701.db2.gz FKZQJXSLVQWDBZ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO CC[C@@H]1C[C@H]([N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC001170225859 970629085 /nfs/dbraw/zinc/62/90/85/970629085.db2.gz CSBIOIDCUSAYSW-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO N#CC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000400953298 970649393 /nfs/dbraw/zinc/64/93/93/970649393.db2.gz YNVJXSOCCNWHHQ-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cccc(C)c1 ZINC001753676915 1166902788 /nfs/dbraw/zinc/90/27/88/1166902788.db2.gz IESUHZGRZRUBBZ-CYBMUJFWSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)c1ccc(C)cc1 ZINC001716366351 1166904069 /nfs/dbraw/zinc/90/40/69/1166904069.db2.gz ACYPCVADHVTNHC-SNAWJCMRSA-N 1 0 244.338 2.057 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001753692360 1166908056 /nfs/dbraw/zinc/90/80/56/1166908056.db2.gz CXJXWXAVPVWRBO-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001753837228 1166922481 /nfs/dbraw/zinc/92/24/81/1166922481.db2.gz LAWGRYLBXKGKBF-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]C/C=C\CNC(=O)C=C(CC)CC ZINC001268527238 1166951268 /nfs/dbraw/zinc/95/12/68/1166951268.db2.gz FJYDVARXWLVBIW-FPLPWBNLSA-N 1 0 236.359 2.181 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC1CC1 ZINC001268636470 1166977104 /nfs/dbraw/zinc/97/71/04/1166977104.db2.gz PKNXNWYKVDEVIX-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1CCC ZINC001268748360 1166984318 /nfs/dbraw/zinc/98/43/18/1166984318.db2.gz YINSOKVATNJMBB-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173128300 975039474 /nfs/dbraw/zinc/03/94/74/975039474.db2.gz LFTUYWGUUYEQEV-MFKMUULPSA-N 1 0 234.368 2.392 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001752662366 1166995757 /nfs/dbraw/zinc/99/57/57/1166995757.db2.gz ZADSFERICPFCJG-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC#N ZINC001173216862 975068864 /nfs/dbraw/zinc/06/88/64/975068864.db2.gz NGEUYPHLABSCEJ-SNVBAGLBSA-N 1 0 233.271 2.029 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)CCC ZINC001269211236 1166999291 /nfs/dbraw/zinc/99/92/91/1166999291.db2.gz SILYIJRRGOHBDD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC1CCC([NH2+]CC2CC2)CC1 ZINC001173307932 975214852 /nfs/dbraw/zinc/21/48/52/975214852.db2.gz BRVCEUZHBKPHHE-UHFFFAOYSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H](C)COC)CC1 ZINC001173309201 975221303 /nfs/dbraw/zinc/22/13/03/975221303.db2.gz RXLKXNCBHIBFPG-PNESKVBLSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C1CCCCC1 ZINC001270347317 1167058204 /nfs/dbraw/zinc/05/82/04/1167058204.db2.gz IINXEFFIDUAQQE-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[C@H]1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC001173281572 975241410 /nfs/dbraw/zinc/24/14/10/975241410.db2.gz TWYSSLIHJZZDLX-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CCC1CCC([NH+]2CC3(C2)CCCO3)CC1 ZINC001173331069 975280597 /nfs/dbraw/zinc/28/05/97/975280597.db2.gz LCQNPMNJEXRRIZ-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO N#CCC1CCC([N@@H+]2CCC[C@H](O)CC2)CC1 ZINC001173332334 975281720 /nfs/dbraw/zinc/28/17/20/975281720.db2.gz ZJEYOWHOQDVYHY-RUXDESIVSA-N 1 0 236.359 2.306 20 30 BEEDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001332886876 975309446 /nfs/dbraw/zinc/30/94/46/975309446.db2.gz USEGXJVCXGMVLK-FRRDWIJNSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC)CC1 ZINC001482327828 1167107459 /nfs/dbraw/zinc/10/74/59/1167107459.db2.gz PICVLXQBSPRBBT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](C#N)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000307635547 1167109895 /nfs/dbraw/zinc/10/98/95/1167109895.db2.gz RZYBDDFOCKLEDG-ZFWWWQNUSA-N 1 0 243.354 2.105 20 30 BEEDRO C=CC[N@@H+](CCCc1cccnc1)CCOC ZINC001332983233 975355836 /nfs/dbraw/zinc/35/58/36/975355836.db2.gz YYUMCUKTKXVTQZ-UHFFFAOYSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)CC#CC ZINC000895098367 1167152625 /nfs/dbraw/zinc/15/26/25/1167152625.db2.gz ZCFYOGZUZBWDRH-CHWSQXEVSA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCCC ZINC001270894619 1167155326 /nfs/dbraw/zinc/15/53/26/1167155326.db2.gz DYOJOCVZTTWGQV-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000307740096 1167158900 /nfs/dbraw/zinc/15/89/00/1167158900.db2.gz MQJBEZAJDBHIRA-GDBMZVCRSA-N 1 0 242.366 2.262 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173476814 975379003 /nfs/dbraw/zinc/37/90/03/975379003.db2.gz VJOQBAFEBFFOGU-QMMMGPOBSA-N 1 0 236.265 2.324 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CCCC[C@@H]1COC ZINC000307778913 1167166512 /nfs/dbraw/zinc/16/65/12/1167166512.db2.gz XSMGEBOLSVAHCS-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CCCCC(=O)OC ZINC001173457209 975397468 /nfs/dbraw/zinc/39/74/68/975397468.db2.gz JDIBOGBCNXJFEK-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO CC[C@H](C)[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173587455 975429672 /nfs/dbraw/zinc/42/96/72/975429672.db2.gz YDLCKSBXHYDGJS-RJZJGCCBSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(F)c(OC)c1 ZINC000309083931 1167249690 /nfs/dbraw/zinc/24/96/90/1167249690.db2.gz URHNVXSLIVRKOO-VIFPVBQESA-N 1 0 209.264 2.498 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H](C)CCCCC ZINC000309166304 1167260587 /nfs/dbraw/zinc/26/05/87/1167260587.db2.gz JDCOEGMMVVJIJI-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO CC[NH+](CC)C1CCN(CC2(CC#N)CC2)CC1 ZINC000384230528 1167289528 /nfs/dbraw/zinc/28/95/28/1167289528.db2.gz GESFGVWUDOTGEG-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC001334124745 976324069 /nfs/dbraw/zinc/32/40/69/976324069.db2.gz BEDLAFYNAHORKS-GFCCVEGCSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(C)ccc1F ZINC000309654009 1167334784 /nfs/dbraw/zinc/33/47/84/1167334784.db2.gz PBMOWRJZYUKUDF-GFCCVEGCSA-N 1 0 223.291 2.425 20 30 BEEDRO C=CC(C)(C)CC[NH2+]CC(C)(C)S(C)(=O)=O ZINC001334909272 976788217 /nfs/dbraw/zinc/78/82/17/976788217.db2.gz RQHBGINEHAQQMO-UHFFFAOYSA-N 1 0 247.404 2.002 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC000310094120 1167411613 /nfs/dbraw/zinc/41/16/13/1167411613.db2.gz TZRZESYFKOIMNK-BXUZGUMPSA-N 1 0 230.311 2.477 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[N@H+](C)CCCF ZINC001482599807 1167436706 /nfs/dbraw/zinc/43/67/06/1167436706.db2.gz FABQTDAQRFFCGS-UHFFFAOYSA-N 1 0 244.354 2.093 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC001335806084 977294376 /nfs/dbraw/zinc/29/43/76/977294376.db2.gz HTUSKNDZHMLQSW-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1cccc(C#N)c1O[C@@H]1CCC[N@@H+](C)C1 ZINC001229180264 1167448836 /nfs/dbraw/zinc/44/88/36/1167448836.db2.gz UKQGTWNBLVVAGN-CYBMUJFWSA-N 1 0 230.311 2.340 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC001335914676 977362746 /nfs/dbraw/zinc/36/27/46/977362746.db2.gz SEUCWOSPOXZDJG-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO COCC[N@H+](Cc1cccc(C#N)c1)C(C)C ZINC000110363698 1167482895 /nfs/dbraw/zinc/48/28/95/1167482895.db2.gz KMNDYFWTNNBXMV-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)c1ccc(C)cc1C ZINC001691585426 1167516813 /nfs/dbraw/zinc/51/68/13/1167516813.db2.gz USXSRQJLFYKTSF-UHFFFAOYSA-N 1 0 246.354 2.151 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001336201099 977560834 /nfs/dbraw/zinc/56/08/34/977560834.db2.gz JXYLGPGIAKKSFP-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccccc1O ZINC000381197643 1167534428 /nfs/dbraw/zinc/53/44/28/1167534428.db2.gz BLNLRBKONIUGPN-GHMZBOCLSA-N 1 0 221.300 2.244 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH+]1CCC(C)CC1 ZINC001336273151 977611285 /nfs/dbraw/zinc/61/12/85/977611285.db2.gz MTWRSYFFJQFQKW-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H](CCC)CCC=C ZINC000381353248 1167545573 /nfs/dbraw/zinc/54/55/73/1167545573.db2.gz CIGYTQXTBNGZSG-ZIAGYGMSSA-N 1 0 223.360 2.485 20 30 BEEDRO SC1CC[NH+](Cc2ccns2)CC1 ZINC001232192164 977916537 /nfs/dbraw/zinc/91/65/37/977916537.db2.gz UWOMZISCXZWWQH-UHFFFAOYSA-N 1 0 214.359 2.037 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)CCC1CCC1 ZINC001483458833 1167616936 /nfs/dbraw/zinc/61/69/36/1167616936.db2.gz FGJPYKHHGZXPCJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCC[NH2+]Cc1c(C)nn(CC)c1C ZINC000150730140 1167623740 /nfs/dbraw/zinc/62/37/40/1167623740.db2.gz DHGNQOHPVMKCGV-UHFFFAOYSA-N 1 0 233.359 2.413 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCN(C)C1 ZINC000167325284 1167650613 /nfs/dbraw/zinc/65/06/13/1167650613.db2.gz RZYNGWCJKDFBGT-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000696104795 1167654012 /nfs/dbraw/zinc/65/40/12/1167654012.db2.gz MXZAYZMNUNYPOH-CVEARBPZSA-N 1 0 248.414 2.500 20 30 BEEDRO Cc1nnn(N=C[C@H]2CC[C@@H](C)C2)c1C ZINC001336980844 978107709 /nfs/dbraw/zinc/10/77/09/978107709.db2.gz IEAAHMGUXPSVCL-KCJUWKMLSA-N 1 0 206.293 2.165 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC001336993077 978115037 /nfs/dbraw/zinc/11/50/37/978115037.db2.gz GFLGLSWODPCULA-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@@H](O)CCC(C)C ZINC001120596779 1167686474 /nfs/dbraw/zinc/68/64/74/1167686474.db2.gz YOGDVESCUYXISP-OLZOCXBDSA-N 1 0 211.349 2.175 20 30 BEEDRO C[NH+](C)CC(C)(C)CNc1cncc(CC#N)c1 ZINC001168767520 1167699673 /nfs/dbraw/zinc/69/96/73/1167699673.db2.gz BVDLJBXHVVOLLN-UHFFFAOYSA-N 1 0 246.358 2.147 20 30 BEEDRO C=C(C)CC[N@H+](C)CCCNC(=O)C=C(C)C ZINC001233545358 978619610 /nfs/dbraw/zinc/61/96/10/978619610.db2.gz UQRGWQCTNLUHTK-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)nc(C)c1 ZINC001178709856 978620903 /nfs/dbraw/zinc/62/09/03/978620903.db2.gz LXQAQYWDSPZGDD-AWEZNQCLSA-N 1 0 234.343 2.115 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001338293398 978656286 /nfs/dbraw/zinc/65/62/86/978656286.db2.gz HXMOXTQVGMEDEH-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCc1ccc(OCC[NH+](C)C)cc1 ZINC001249954098 978815359 /nfs/dbraw/zinc/81/53/59/978815359.db2.gz RUKQPCPREVSCEH-UHFFFAOYSA-N 1 0 205.301 2.356 20 30 BEEDRO CC(C)COC1C[NH+](C[C@H](C)CCC#N)C1 ZINC001180345495 978863783 /nfs/dbraw/zinc/86/37/83/978863783.db2.gz XGWWOFHPVLRIMP-GFCCVEGCSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCN(C(=O)[C@H](C)[NH+](C)C)C1CCCCC1 ZINC001180861928 978958049 /nfs/dbraw/zinc/95/80/49/978958049.db2.gz STDDJYLXJITSMG-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCCCN1CCC[C@H]2[NH2+]C[C@H]21 ZINC001235294570 979018825 /nfs/dbraw/zinc/01/88/25/979018825.db2.gz HKMNSIIZJFUCSQ-CHWSQXEVSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)CCC)C1 ZINC001181750921 979275092 /nfs/dbraw/zinc/27/50/92/979275092.db2.gz FSGNGQZPEQYKPF-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCN(CC)[C@@H]1CCC[NH2+]C1 ZINC001236006454 979295593 /nfs/dbraw/zinc/29/55/93/979295593.db2.gz SVPWULHWYHTATK-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@](C)(C[NH2+]CC)C1 ZINC001484111057 1168225492 /nfs/dbraw/zinc/22/54/92/1168225492.db2.gz UZHOCOBHLBTVRS-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)CC(C)(C)C ZINC001341479877 979423906 /nfs/dbraw/zinc/42/39/06/979423906.db2.gz DRXOVGPOXSLOID-LLVKDONJSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001484975196 1168240468 /nfs/dbraw/zinc/24/04/68/1168240468.db2.gz CMIDBHIGADAATJ-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)CCC ZINC001124948090 1168257993 /nfs/dbraw/zinc/25/79/93/1168257993.db2.gz ZDWWMDOEQYMSHP-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC001341849201 979575832 /nfs/dbraw/zinc/57/58/32/979575832.db2.gz UNCJOFLTUYJGIP-QWRGUYRKSA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H](F)C1 ZINC001342009486 979617431 /nfs/dbraw/zinc/61/74/31/979617431.db2.gz VSFFIPHIKJXPNM-WOPDTQHZSA-N 1 0 242.338 2.067 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](CC=C)C1 ZINC001342197849 979706478 /nfs/dbraw/zinc/70/64/78/979706478.db2.gz APGNFRDWERMDFP-CHWSQXEVSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C1CCCC1 ZINC001331370228 979795978 /nfs/dbraw/zinc/79/59/78/979795978.db2.gz GLBKRYDQGRKFFR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCN1CC[NH2+]C[C@H]1C(F)(F)F ZINC001236974642 979799209 /nfs/dbraw/zinc/79/92/09/979799209.db2.gz DHULVLXTZRTAPZ-JTQLQIEISA-N 1 0 236.281 2.179 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@H]([NH3+])CC1CC1 ZINC001342455714 979806614 /nfs/dbraw/zinc/80/66/14/979806614.db2.gz QUQGXGCODLVXLF-QWHCGFSZSA-N 1 0 236.359 2.071 20 30 BEEDRO N#Cc1cccnc1NCc1ccccc1C[NH3+] ZINC000061841483 1168354056 /nfs/dbraw/zinc/35/40/56/1168354056.db2.gz UXRAMWDHLYPXLA-UHFFFAOYSA-N 1 0 238.294 2.024 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC001343048811 979994418 /nfs/dbraw/zinc/99/44/18/979994418.db2.gz XLNUGLMTILXONL-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CNc1cc(C[N@@H+](C)CCOC)ccn1 ZINC001163375602 1168409952 /nfs/dbraw/zinc/40/99/52/1168409952.db2.gz FSKCAALUMDOXSN-UHFFFAOYSA-N 1 0 249.358 2.148 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000387518846 1168430603 /nfs/dbraw/zinc/43/06/03/1168430603.db2.gz JWUKKGIKWZXMCI-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCN(C(=O)CCC)[C@H]1C ZINC001278213685 980233267 /nfs/dbraw/zinc/23/32/67/980233267.db2.gz OZCPRFFVOLGJSF-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@H]1CCO[C@@H](C)C1 ZINC001343959314 980293213 /nfs/dbraw/zinc/29/32/13/980293213.db2.gz GGDXDCJZPYCXFP-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO CCCCCCCOC(=O)N1CC[NH2+]C[C@@H]1C ZINC001239332826 980538807 /nfs/dbraw/zinc/53/88/07/980538807.db2.gz XAVVSWXHHCBDLL-LBPRGKRZSA-N 1 0 242.363 2.387 20 30 BEEDRO CCCCCCCOC(=O)N(C)C[C@H](C)[NH3+] ZINC001239339222 980545147 /nfs/dbraw/zinc/54/51/47/980545147.db2.gz QQGIVRAEJJGREZ-NSHDSACASA-N 1 0 230.352 2.372 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@]1(CC)CCC[NH2+]1 ZINC001345604000 980644089 /nfs/dbraw/zinc/64/40/89/980644089.db2.gz YVMQZPYFJPOFOA-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001188916292 980714861 /nfs/dbraw/zinc/71/48/61/980714861.db2.gz VZBQYRONYMNHBC-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]([NH3+])c1ccc(-c2ccc(C#N)cc2N)cn1 ZINC001244093836 1168546793 /nfs/dbraw/zinc/54/67/93/1168546793.db2.gz OVWYEAHAWOQCRZ-VIFPVBQESA-N 1 0 238.294 2.222 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C1(C)CCCC1 ZINC001132004286 1168555634 /nfs/dbraw/zinc/55/56/34/1168555634.db2.gz YTKBKKHPRAEJOV-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCOCC)cc1 ZINC000809683431 1168556777 /nfs/dbraw/zinc/55/67/77/1168556777.db2.gz CVZZBKVAYGWQSZ-GFCCVEGCSA-N 1 0 233.311 2.171 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=C)C ZINC001133884883 1168578886 /nfs/dbraw/zinc/57/88/86/1168578886.db2.gz UVGIMNACMUJYHQ-CHWSQXEVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001134476636 1168591117 /nfs/dbraw/zinc/59/11/17/1168591117.db2.gz VOAGGBQQDHADHB-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000823905525 1168630669 /nfs/dbraw/zinc/63/06/69/1168630669.db2.gz ZGEZRTNEDQXQPQ-NSHDSACASA-N 1 0 223.341 2.167 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+][C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171184600 1168651527 /nfs/dbraw/zinc/65/15/27/1168651527.db2.gz NLEGVKVTJVUBKR-DFBGVHRSSA-N 1 0 244.338 2.256 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OCC)cn2)C1 ZINC000847023570 1168656132 /nfs/dbraw/zinc/65/61/32/1168656132.db2.gz DUXTZNYWSNFXTH-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H](C)c1ccccc1 ZINC000716938300 981428460 /nfs/dbraw/zinc/42/84/60/981428460.db2.gz XLEPNKDIYOHCQI-DZGCQCFKSA-N 1 0 231.339 2.418 20 30 BEEDRO CCCCCCCOC(=O)NCC[NH+](C)C ZINC001193985953 981527157 /nfs/dbraw/zinc/52/71/57/981527157.db2.gz UNFMUPZOIVMULQ-UHFFFAOYSA-N 1 0 230.352 2.245 20 30 BEEDRO CCn1ccc(C[NH2+]C2CCC(CC#N)CC2)n1 ZINC001173328177 1168685661 /nfs/dbraw/zinc/68/56/61/1168685661.db2.gz QNBOYSZSGGQJSW-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO CCCCCCCOC(=O)N[C@H]1CC[N@H+](C)C1 ZINC001194012541 981531510 /nfs/dbraw/zinc/53/15/10/981531510.db2.gz SMUKMTPSSMVJLX-LBPRGKRZSA-N 1 0 242.363 2.387 20 30 BEEDRO CC(=O)[C@@H]1CC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173336564 1168688171 /nfs/dbraw/zinc/68/81/71/1168688171.db2.gz DOWXOTFKKBOKEC-ROKHWSDSSA-N 1 0 234.343 2.370 20 30 BEEDRO CCCCCCCOC(=O)N[C@@H]1CC[N@H+](C)C1 ZINC001194012540 981532567 /nfs/dbraw/zinc/53/25/67/981532567.db2.gz SMUKMTPSSMVJLX-GFCCVEGCSA-N 1 0 242.363 2.387 20 30 BEEDRO C[C@]1([NH2+]C2CCC(CC#N)CC2)CCOC1 ZINC001173334408 1168687726 /nfs/dbraw/zinc/68/77/26/1168687726.db2.gz WCJSZHJEZFXPIR-BPCQOVAHSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337474 1168689011 /nfs/dbraw/zinc/68/90/11/1168689011.db2.gz LOPSAXQNSMIFNH-ABXWRUBCSA-N 1 0 236.359 2.304 20 30 BEEDRO C[N@H+](Cc1cc(C#N)ccn1)C(C)(C)C ZINC001195451634 982265881 /nfs/dbraw/zinc/26/58/81/982265881.db2.gz HJOGPRINDVWMEN-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([N@@H+](C)CCC)C1 ZINC001192059687 1168787172 /nfs/dbraw/zinc/78/71/72/1168787172.db2.gz JHZVGIISQKIQEL-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717024752 1168832162 /nfs/dbraw/zinc/83/21/62/1168832162.db2.gz DIEWFTYZAYWCSH-NXEZZACHSA-N 1 0 236.281 2.164 20 30 BEEDRO C#CC[C@H]1CC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000862445635 1168885351 /nfs/dbraw/zinc/88/53/51/1168885351.db2.gz YOAKLLDTDDCLRC-STQMWFEESA-N 1 0 205.301 2.024 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001252584576 1168891120 /nfs/dbraw/zinc/89/11/20/1168891120.db2.gz BVCRNBMNLYGYNH-LSDHHAIUSA-N 1 0 249.329 2.210 20 30 BEEDRO CC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC001137114649 1168924520 /nfs/dbraw/zinc/92/45/20/1168924520.db2.gz UCRLQWNRTUQZNB-UHFFFAOYSA-N 1 0 204.273 2.041 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCC(=O)[C@@H](C)C1 ZINC001354635440 983337626 /nfs/dbraw/zinc/33/76/26/983337626.db2.gz OOXHHOWEYOXVJV-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[NH2+]CCCC ZINC001275265445 1169045268 /nfs/dbraw/zinc/04/52/68/1169045268.db2.gz BLUGOPALAOQTCI-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CCCCCCC[NH+]1CC2(C1)CS(=O)C2 ZINC001201761919 983464812 /nfs/dbraw/zinc/46/48/12/983464812.db2.gz VJMYDJLKZSPJKA-UHFFFAOYSA-N 1 0 229.389 2.021 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000686676582 1169109580 /nfs/dbraw/zinc/10/95/80/1169109580.db2.gz XZUWBYHHEKLAEK-ZIAGYGMSSA-N 1 0 223.360 2.415 20 30 BEEDRO CC(C)C(C)(C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC001357125499 983666513 /nfs/dbraw/zinc/66/65/13/983666513.db2.gz GGELTQUPJHASGM-LBPRGKRZSA-N 1 0 238.375 2.313 20 30 BEEDRO C#CCCCCC[NH2+]C(C)(C)C(C)(C)O ZINC000686677225 1169109230 /nfs/dbraw/zinc/10/92/30/1169109230.db2.gz XKJIHLITNWOETF-UHFFFAOYSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)CC)C1 ZINC001488811607 983697527 /nfs/dbraw/zinc/69/75/27/983697527.db2.gz FUTNBACQZMZAFN-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@H](C)[C@H](C)C1 ZINC001252547798 983813216 /nfs/dbraw/zinc/81/32/16/983813216.db2.gz LIVZHWUEMWIZMJ-XQQFMLRXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC001358033872 983817144 /nfs/dbraw/zinc/81/71/44/983817144.db2.gz ZNJHMQQKTRIGFJ-NWDGAFQWSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC001252576461 983831535 /nfs/dbraw/zinc/83/15/35/983831535.db2.gz LEELLULCTZDCFY-KGLIPLIRSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1cccc(Cl)c1 ZINC001253580165 1169207187 /nfs/dbraw/zinc/20/71/87/1169207187.db2.gz ADAAESYZCQDTJI-LBPRGKRZSA-N 1 0 225.719 2.319 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000379813304 1169231753 /nfs/dbraw/zinc/23/17/53/1169231753.db2.gz BBBKZMRXRQNOKR-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001254635225 1169232413 /nfs/dbraw/zinc/23/24/13/1169232413.db2.gz ONMDORIQZFAKMZ-QCNOEVLYSA-N 1 0 210.296 2.406 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001254648204 1169236684 /nfs/dbraw/zinc/23/66/84/1169236684.db2.gz YRRDVZFOWBGUQA-ONGXEEELSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@H]1CC[C@@H](N(CC[NH3+])c2ccc(F)cc2)C1 ZINC001254648966 1169237706 /nfs/dbraw/zinc/23/77/06/1169237706.db2.gz PIEXYXQEHGSJQI-SMDDNHRTSA-N 1 0 247.317 2.283 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CCCC(F)(F)F ZINC000321481218 1169261748 /nfs/dbraw/zinc/26/17/48/1169261748.db2.gz REVRAMHNBMOQRX-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO CCOCC[C@H](C)[NH+]1CCC(C#N)CC1 ZINC001172422447 974697158 /nfs/dbraw/zinc/69/71/58/974697158.db2.gz FBHRDTLSYXOTQP-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001172425995 974702289 /nfs/dbraw/zinc/70/22/89/974702289.db2.gz GDHYWNHYPHFSGE-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC001225890189 974716850 /nfs/dbraw/zinc/71/68/50/974716850.db2.gz NSCDNMXWLHCRHY-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cc(C)co2)C1 ZINC001331566299 974763337 /nfs/dbraw/zinc/76/33/37/974763337.db2.gz NOHVOQBMKIHRKN-GFCCVEGCSA-N 1 0 221.300 2.365 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cncs1 ZINC001172476861 974775505 /nfs/dbraw/zinc/77/55/05/974775505.db2.gz ROODSCSBKGEIPK-VIFPVBQESA-N 1 0 209.318 2.315 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCCC(=O)C1 ZINC001172482840 974783338 /nfs/dbraw/zinc/78/33/38/974783338.db2.gz AKIOMPMZVFVEHY-MNOVXSKESA-N 1 0 208.305 2.170 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H](C)CCOCC(C)C ZINC001172455241 974819023 /nfs/dbraw/zinc/81/90/23/974819023.db2.gz PUQFETNIUFGPNY-GFCCVEGCSA-N 1 0 211.349 2.439 20 30 BEEDRO C[C@H]([NH3+])c1ccn([C@@H](C)CCCC#N)n1 ZINC001172487253 974828516 /nfs/dbraw/zinc/82/85/16/974828516.db2.gz GPUYMZSIAJAJNB-UWVGGRQHSA-N 1 0 206.293 2.158 20 30 BEEDRO C[N@H+](CC1CCOCC1)C1CCC(C#N)CC1 ZINC000258722985 1169407828 /nfs/dbraw/zinc/40/78/28/1169407828.db2.gz HDRGFVXJQSYVLS-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)CC ZINC001151960982 1169412326 /nfs/dbraw/zinc/41/23/26/1169412326.db2.gz MQHSWAGGXQMHQX-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO CCCCC[C@H](CC)N1CCN[C@H](C#N)C1 ZINC001246832908 973127059 /nfs/dbraw/zinc/12/70/59/973127059.db2.gz DBGWQGMMSSVXDH-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CCCOC1CC[NH+](CCF)CC1 ZINC001224340382 973574524 /nfs/dbraw/zinc/57/45/24/973574524.db2.gz BIDDHZKRLMRUHR-UHFFFAOYSA-N 1 0 201.285 2.013 20 30 BEEDRO C=CCCO[C@H]1CC[C@H]([NH+]2CCOCC2)CC1 ZINC001224340363 973578549 /nfs/dbraw/zinc/57/85/49/973578549.db2.gz BFIIRMVURQOLQY-HDJSIYSDSA-N 1 0 239.359 2.223 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)Cc1ccccn1 ZINC001256401434 970809771 /nfs/dbraw/zinc/80/97/71/970809771.db2.gz SZEPYDZIWWUGER-GXTWGEPZSA-N 1 0 216.328 2.404 20 30 BEEDRO CC(=O)C=C(C)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256558878 970863078 /nfs/dbraw/zinc/86/30/78/970863078.db2.gz ZGWOXNREIQKNQQ-KHPPLWFESA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CCC[C@@H](C#N)C2)CC1 ZINC001256573330 970865427 /nfs/dbraw/zinc/86/54/27/970865427.db2.gz GSXSGZZTYLQDLE-ZDUSSCGKSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2ccc3c(c2)OCO3)C1 ZINC001204056502 1169471589 /nfs/dbraw/zinc/47/15/89/1169471589.db2.gz QDGQGEHJGPOSGF-CQSZACIVSA-N 1 0 244.294 2.151 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256612392 970879141 /nfs/dbraw/zinc/87/91/41/970879141.db2.gz KBWPFQNTCPPNPQ-AGUYFDCRSA-N 1 0 234.387 2.393 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001204825969 1169478426 /nfs/dbraw/zinc/47/84/26/1169478426.db2.gz ITMDXKRTJGMOPA-MBNYWOFBSA-N 1 0 246.358 2.005 20 30 BEEDRO N#C[C@H]1CC=C(c2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001243788249 970926765 /nfs/dbraw/zinc/92/67/65/970926765.db2.gz ABDQZCLDDRJYSC-NSHDSACASA-N 1 0 239.322 2.434 20 30 BEEDRO N#C[C@@H]1CC=C(c2ccnc(C[NH3+])c2)CC1 ZINC001243798387 970947965 /nfs/dbraw/zinc/94/79/65/970947965.db2.gz MPJLVMYWUBKQCR-SNVBAGLBSA-N 1 0 213.284 2.247 20 30 BEEDRO Cc1c(C#N)cccc1Nc1[nH+]ccn1C ZINC001216173283 970959688 /nfs/dbraw/zinc/95/96/88/970959688.db2.gz FKSNMLUGSBDLBY-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO Cc1ccc(C#N)c(/C=C/C2CC[NH2+]CC2)n1 ZINC001243892360 971016131 /nfs/dbraw/zinc/01/61/31/971016131.db2.gz JFRIVJDKNSKCFE-HWKANZROSA-N 1 0 227.311 2.275 20 30 BEEDRO N#CCC1CN([C@@H]2CCC[N@@H+](C3CCCC3)C2)C1 ZINC001256911191 971017298 /nfs/dbraw/zinc/01/72/98/971017298.db2.gz KTKUEPRCFCLWGM-OAHLLOKOSA-N 1 0 247.386 2.239 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256904100 971022740 /nfs/dbraw/zinc/02/27/40/971022740.db2.gz HJYQPMQVLOTLEW-CYBMUJFWSA-N 1 0 220.360 2.006 20 30 BEEDRO SCCC[NH2+][C@H]1CCCN(C2CCCC2)C1 ZINC001256904698 971022852 /nfs/dbraw/zinc/02/28/52/971022852.db2.gz LVSZOONWOMFDSO-LBPRGKRZSA-N 1 0 242.432 2.303 20 30 BEEDRO C#CC1(N[C@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC001256904948 971021430 /nfs/dbraw/zinc/02/14/30/971021430.db2.gz OYAIAOHMIKVWRH-ZDUSSCGKSA-N 1 0 232.371 2.149 20 30 BEEDRO N#CC1CCC(n2ccnc2CCC[NH3+])CC1 ZINC001256965009 971026185 /nfs/dbraw/zinc/02/61/85/971026185.db2.gz JFOUCVVRGSSAHS-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cncnc1 ZINC001256955871 971027517 /nfs/dbraw/zinc/02/75/17/971027517.db2.gz CQGRFOUBBSVNRI-XSRFYTQQSA-N 1 0 230.315 2.210 20 30 BEEDRO CCCOCC[NH2+]C1CCC(C#N)CC1 ZINC001256956044 971030127 /nfs/dbraw/zinc/03/01/27/971030127.db2.gz HXRLMTOPELXGPQ-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]([NH3+])c1nccn1C1CCC(C#N)CC1 ZINC001256954175 971031152 /nfs/dbraw/zinc/03/11/52/971031152.db2.gz CPIIONDIKHDSRU-WHXUTIOJSA-N 1 0 218.304 2.158 20 30 BEEDRO N#CC1CCC([NH2+]CCn2cccc2)CC1 ZINC001256953860 971032639 /nfs/dbraw/zinc/03/26/39/971032639.db2.gz QEKUCWUNQFFALW-UHFFFAOYSA-N 1 0 217.316 2.160 20 30 BEEDRO Cn1cc(C2([NH2+]C3CCC(C#N)CC3)CC2)cn1 ZINC001256953718 971032896 /nfs/dbraw/zinc/03/28/96/971032896.db2.gz LZTAQNMIGLILLZ-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO N#CC1CCC(n2ccc(C[NH3+])c2)CC1 ZINC001256958216 971033996 /nfs/dbraw/zinc/03/39/96/971033996.db2.gz WCFHQEBKBKSBKK-UHFFFAOYSA-N 1 0 203.289 2.202 20 30 BEEDRO N#Cc1c[nH]c2ncc(C3=C[NH2+]CCC3)cc12 ZINC001243949265 971035135 /nfs/dbraw/zinc/03/51/35/971035135.db2.gz AGUQXNBSINXZEF-UHFFFAOYSA-N 1 0 224.267 2.159 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2C[C@H]2C2CC2)CC1 ZINC001256964043 971035950 /nfs/dbraw/zinc/03/59/50/971035950.db2.gz ULKOAQRSYFFAMU-DCPRQKDISA-N 1 0 204.317 2.457 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256964971 971037582 /nfs/dbraw/zinc/03/75/82/971037582.db2.gz IYXZQLWTJXBYST-WXRRBKDZSA-N 1 0 222.332 2.180 20 30 BEEDRO CNc1cc(Nc2onc(C)c2C#N)cc[nH+]1 ZINC001216331112 971039488 /nfs/dbraw/zinc/03/94/88/971039488.db2.gz LDCRLUHSCWUIFG-UHFFFAOYSA-N 1 0 229.243 2.035 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256969420 971041026 /nfs/dbraw/zinc/04/10/26/971041026.db2.gz HWJUYLIETOSTDB-JXQTWKCFSA-N 1 0 236.359 2.426 20 30 BEEDRO N#CC1CCC(N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC001256968842 971041425 /nfs/dbraw/zinc/04/14/25/971041425.db2.gz PFECXRNDQWODPJ-NRXISQOPSA-N 1 0 247.386 2.239 20 30 BEEDRO CN(C)[C@@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256968226 971041479 /nfs/dbraw/zinc/04/14/79/971041479.db2.gz BXFSKRYNSKRXBQ-JXQTWKCFSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)C[NH+]1CCN(C2CCC(C#N)CC2)CC1 ZINC001256966548 971041760 /nfs/dbraw/zinc/04/17/60/971041760.db2.gz KFBCOWXYOSHLIJ-UHFFFAOYSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H]1CC[C@H](CO)C[N@@H+]1C1CCC(C#N)CC1 ZINC001256965755 971042284 /nfs/dbraw/zinc/04/22/84/971042284.db2.gz ZOORODUDQYBOKX-AHPWVWPOSA-N 1 0 236.359 2.162 20 30 BEEDRO CC[N@H+](CCN1CCCC1)C1CCC(C#N)CC1 ZINC001256968374 971042952 /nfs/dbraw/zinc/04/29/52/971042952.db2.gz DSPNDIKQMGEJLZ-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[N@H+](C1CCC(C#N)CC1)C1CCN(C)CC1 ZINC001256968828 971044002 /nfs/dbraw/zinc/04/40/02/971044002.db2.gz OTMSNWIVOWFLLE-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO N#CC1CCC(N2CCC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001256968957 971045541 /nfs/dbraw/zinc/04/55/41/971045541.db2.gz UPVJAXBOXJRVRA-YMAMQOFZSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256969421 971045756 /nfs/dbraw/zinc/04/57/56/971045756.db2.gz HWJUYLIETOSTDB-RUXDESIVSA-N 1 0 236.359 2.426 20 30 BEEDRO Cc1ncc(C[N@@H+](C)C2CCC(C#N)CC2)cn1 ZINC001256973354 971051440 /nfs/dbraw/zinc/05/14/40/971051440.db2.gz PLHSCVQGLJDMSP-UHFFFAOYSA-N 1 0 244.342 2.299 20 30 BEEDRO CC[N@H+](CCn1ccnc1)C1CCC(C#N)CC1 ZINC001256972545 971053209 /nfs/dbraw/zinc/05/32/09/971053209.db2.gz ZRPIZTGMLVGXNT-UHFFFAOYSA-N 1 0 246.358 2.287 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256972746 971053428 /nfs/dbraw/zinc/05/34/28/971053428.db2.gz FGOPFDCESIJMJH-OTTFEQOBSA-N 1 0 222.332 2.180 20 30 BEEDRO COCC[N@H+](C)CCCc1ccc(C#N)cc1 ZINC001208860823 1169508416 /nfs/dbraw/zinc/50/84/16/1169508416.db2.gz SJOGYZXDASDEHD-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]CC(C)(C)S)C1 ZINC001257030083 971066188 /nfs/dbraw/zinc/06/61/88/971066188.db2.gz PMHRGIZHOJPMES-UWVGGRQHSA-N 1 0 245.388 2.016 20 30 BEEDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC001257026840 971070349 /nfs/dbraw/zinc/07/03/49/971070349.db2.gz IBLNISUSFOFSQM-NWDGAFQWSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+][C@H](CC)CC#N)C1 ZINC001257041961 971071031 /nfs/dbraw/zinc/07/10/31/971071031.db2.gz WKOPABPKCJTAGZ-QJPTWQEYSA-N 1 0 238.331 2.000 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OC[C@H]1CCCC[N@H+]1C ZINC001224706416 973873627 /nfs/dbraw/zinc/87/36/27/973873627.db2.gz JXXCIYFPDIOMGB-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO CC[N@H+](C)CCCc1ccc(C#N)cc1 ZINC001208860373 1169510709 /nfs/dbraw/zinc/51/07/09/1169510709.db2.gz LESXFALCJODZJB-UHFFFAOYSA-N 1 0 202.301 2.443 20 30 BEEDRO CCC#C[C@H](C)OC[C@@H]1CCCC[N@@H+]1C ZINC001224708342 973877274 /nfs/dbraw/zinc/87/72/74/973877274.db2.gz XKUCRQMIEYOCIT-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CC[C@H](C(=O)OCC)C2)CC1 ZINC001257063443 971083316 /nfs/dbraw/zinc/08/33/16/971083316.db2.gz HIGBNZSPOXMBNP-UONOGXRCSA-N 1 0 249.354 2.063 20 30 BEEDRO C#C[C@H](CCC)OC[C@H]1CCCC[N@@H+]1C ZINC001224707056 973879591 /nfs/dbraw/zinc/87/95/91/973879591.db2.gz OIABTFOCKJBDLX-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H](C)C(C)(C)C ZINC001149007288 973900833 /nfs/dbraw/zinc/90/08/33/973900833.db2.gz ARQAGELKLWGHDD-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC[C@H](CC#N)C2)CC1 ZINC001257218947 971135029 /nfs/dbraw/zinc/13/50/29/971135029.db2.gz ZZDAOTOPPFHJTQ-CQSZACIVSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H](OCC[N+](C)(C)C)c1ccccc1C#N ZINC001224775991 973943036 /nfs/dbraw/zinc/94/30/36/973943036.db2.gz QXNGVUYNUKVFSU-GFCCVEGCSA-N 1 0 233.335 2.342 20 30 BEEDRO C=CCN1CC[NH+]([C@@H](CC)CCC)CC1 ZINC001257261035 971160635 /nfs/dbraw/zinc/16/06/35/971160635.db2.gz FMEODJFZPSMHOQ-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCCCC[NH2+]Cc1cn(CC)nn1 ZINC000404420308 971162911 /nfs/dbraw/zinc/16/29/11/971162911.db2.gz BHWUYGWIUUYCGV-UHFFFAOYSA-N 1 0 222.336 2.134 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C)ns1)C(C)C ZINC000404450276 971163487 /nfs/dbraw/zinc/16/34/87/971163487.db2.gz FXPYUJHWRJDNQV-LLVKDONJSA-N 1 0 208.330 2.199 20 30 BEEDRO CNc1ccc(C#N)cc1Nc1c[nH+]cn1C ZINC001211251184 1169532167 /nfs/dbraw/zinc/53/21/67/1169532167.db2.gz AQESKVVOFOHBNP-UHFFFAOYSA-N 1 0 227.271 2.077 20 30 BEEDRO N#Cc1ccc(CNc2cc(N)cc[nH+]2)cc1F ZINC000404676799 971177804 /nfs/dbraw/zinc/17/78/04/971177804.db2.gz HJIPXVMUKKFYJA-UHFFFAOYSA-N 1 0 242.257 2.287 20 30 BEEDRO C[C@H](CCCCO)[NH2+]CC1(C#N)CCCC1 ZINC000405089958 971195280 /nfs/dbraw/zinc/19/52/80/971195280.db2.gz GDTFXIMDFLYSED-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405142874 971202407 /nfs/dbraw/zinc/20/24/07/971202407.db2.gz VQZBIQJFZLOYGU-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](NC(=O)CC)CC[C@@H]1C ZINC001131735932 971258805 /nfs/dbraw/zinc/25/88/05/971258805.db2.gz UFFOOJJOVKBILI-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1cccc(OCC[NH2+]C2CCCC2)c1 ZINC001257346101 971259837 /nfs/dbraw/zinc/25/98/37/971259837.db2.gz LKHRLQIQAMIWQO-UHFFFAOYSA-N 1 0 230.311 2.469 20 30 BEEDRO C=CCOCc1nn(C2CCCC2)c2c1C[NH2+]C2 ZINC001257350689 971260657 /nfs/dbraw/zinc/26/06/57/971260657.db2.gz QMQVYABWWFONGI-UHFFFAOYSA-N 1 0 247.342 2.304 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1cccc(C)c1 ZINC000809682880 971279825 /nfs/dbraw/zinc/27/98/25/971279825.db2.gz HBZUUZYZTSBVOU-LBPRGKRZSA-N 1 0 239.322 2.496 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](NC(=O)CCCC)CC[C@H]1C ZINC001131857480 971284276 /nfs/dbraw/zinc/28/42/76/971284276.db2.gz WQEMRVYZVHMRBW-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC=C)C1 ZINC001131898824 971288246 /nfs/dbraw/zinc/28/82/46/971288246.db2.gz FYNDJZZKDDJUFV-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO CCCCOC(=O)CC[C@@H](C)[NH2+]CCCS ZINC001257385534 971297066 /nfs/dbraw/zinc/29/70/66/971297066.db2.gz ITVDXXUQWIOQPV-LLVKDONJSA-N 1 0 247.404 2.408 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(CC#N)cc2)[C@@H]1C ZINC000405751664 971305647 /nfs/dbraw/zinc/30/56/47/971305647.db2.gz JJKKFCHAKIDXFB-TYNCELHUSA-N 1 0 244.338 2.266 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](CC)CCCC)CC1 ZINC001257425255 971324080 /nfs/dbraw/zinc/32/40/80/971324080.db2.gz NGTHSPBDDRJCEY-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO CC[NH+](CC)CCO[C@H](C)[C@H](C)S ZINC001224927607 974076428 /nfs/dbraw/zinc/07/64/28/974076428.db2.gz JBGJTBQDRIQHRV-ZJUUUORDSA-N 1 0 205.367 2.052 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CC(CC)CC ZINC001132392228 971345610 /nfs/dbraw/zinc/34/56/10/971345610.db2.gz YVOLOGAPVACIOM-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C1(C)CCC1 ZINC001132455205 971354806 /nfs/dbraw/zinc/35/48/06/971354806.db2.gz XKLWRSDOUFWWGV-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)[C@H](F)CC ZINC001132443981 971357901 /nfs/dbraw/zinc/35/79/01/971357901.db2.gz UWSGJXNVUMQITG-GFCCVEGCSA-N 1 0 246.370 2.411 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC(C)=C(C)C ZINC001132447315 971358382 /nfs/dbraw/zinc/35/83/82/971358382.db2.gz ZXICJNPEGYTNCH-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)CC)C1 ZINC001257448521 971366042 /nfs/dbraw/zinc/36/60/42/971366042.db2.gz UITHURJZJSHSIM-NWDGAFQWSA-N 1 0 240.347 2.162 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCCC1(C)C ZINC001132535750 971374422 /nfs/dbraw/zinc/37/44/22/971374422.db2.gz YUAROIBQWJYMCS-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001132653548 971396544 /nfs/dbraw/zinc/39/65/44/971396544.db2.gz OIJJYHDXLJLYEK-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]C[C@@H](F)CC ZINC001132660230 971398137 /nfs/dbraw/zinc/39/81/37/971398137.db2.gz KVLBYNOVOYFLRE-NEPJUHHUSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C[C@H](F)CC ZINC001132654080 971398173 /nfs/dbraw/zinc/39/81/73/971398173.db2.gz YKMDCJYLCQSMNF-NWDGAFQWSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC1CCC1 ZINC001132660840 971398486 /nfs/dbraw/zinc/39/84/86/971398486.db2.gz VAQACEPQXPVLRT-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@H](C=C)CC ZINC001132663262 971399578 /nfs/dbraw/zinc/39/95/78/971399578.db2.gz SXLUOFXGFGSLME-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1OCCc1cccc(C)c1 ZINC001217833556 971427101 /nfs/dbraw/zinc/42/71/01/971427101.db2.gz XAMITPYGPSAYJH-OAHLLOKOSA-N 1 0 231.339 2.472 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C(CCC)CCC ZINC001133023210 971436290 /nfs/dbraw/zinc/43/62/90/971436290.db2.gz BDMHIXHFQSJDII-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@@H](C)C1 ZINC001133075667 971448056 /nfs/dbraw/zinc/44/80/56/971448056.db2.gz AZIPAHWOCPCPFE-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CC=C(C)C ZINC001133143108 971464497 /nfs/dbraw/zinc/46/44/97/971464497.db2.gz PCRGLNIITFLNNG-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170674580 971483289 /nfs/dbraw/zinc/48/32/89/971483289.db2.gz QHJUXASEIMVCOF-BXKDBHETSA-N 1 0 235.277 2.433 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)OC[C@@H]1CCC[NH2+]C1 ZINC001217897450 971500591 /nfs/dbraw/zinc/50/05/91/971500591.db2.gz XQIPTTOJQZIWQJ-QWHCGFSZSA-N 1 0 239.435 2.272 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257855802 971503263 /nfs/dbraw/zinc/50/32/63/971503263.db2.gz GYVBXSVNJCFXEP-YIZWMMSDSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CCC1(C(=O)NCC[NH2+]CC(C)C)CCC1 ZINC001133397993 971506152 /nfs/dbraw/zinc/50/61/52/971506152.db2.gz YGGSCPAZMSLFOQ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[NH2+]C/C=C\Cl ZINC001133383348 971506398 /nfs/dbraw/zinc/50/63/98/971506398.db2.gz OBZFMOYVKHXTPU-DGMVEKRQSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(CC=C)CCC1 ZINC001133395102 971507878 /nfs/dbraw/zinc/50/78/78/971507878.db2.gz BGLFYZBWIZGFKG-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]1CC ZINC001133426042 971519522 /nfs/dbraw/zinc/51/95/22/971519522.db2.gz MTDXFGONVPFAOH-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC ZINC001133418590 971516709 /nfs/dbraw/zinc/51/67/09/971516709.db2.gz LPDYIHSBBFQGLX-UWVGGRQHSA-N 1 0 232.755 2.022 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]CC(C)=O)C[C@H](C1)C2 ZINC001257887199 971518347 /nfs/dbraw/zinc/51/83/47/971518347.db2.gz XETKQSKEINAMSD-FUNVUKJBSA-N 1 0 207.317 2.300 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3CCO3)C[C@H](C1)C2 ZINC001257886320 971519192 /nfs/dbraw/zinc/51/91/92/971519192.db2.gz AETAVZLUNHJNED-QNMSZWNNSA-N 1 0 221.344 2.500 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@H](C)[C@H](O)C3)C[C@H](C1)C2 ZINC001257891331 971523041 /nfs/dbraw/zinc/52/30/41/971523041.db2.gz HIEQPELXZKWIHZ-DFKRWLTFSA-N 1 0 235.371 2.434 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC(OC)C3)C[C@H](C1)C2 ZINC001257889961 971523667 /nfs/dbraw/zinc/52/36/67/971523667.db2.gz OZFIZBSQXMELLK-FUNVUKJBSA-N 1 0 221.344 2.452 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3COC[C@@H]3F)C[C@H](C1)C2 ZINC001257890321 971524029 /nfs/dbraw/zinc/52/40/29/971524029.db2.gz USFGPEMLCFBSSR-AEBFUODCSA-N 1 0 239.334 2.448 20 30 BEEDRO N#CC1(C[NH2+]C2CCC3(COC3)CC2)CCC1 ZINC001257895761 971526500 /nfs/dbraw/zinc/52/65/00/971526500.db2.gz BCEWVHJEQJIOHI-UHFFFAOYSA-N 1 0 234.343 2.229 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001133438401 971527759 /nfs/dbraw/zinc/52/77/59/971527759.db2.gz OOWIFPYZXNLZOK-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)CC(C)(F)F ZINC001133450837 971540553 /nfs/dbraw/zinc/54/05/53/971540553.db2.gz PJCJYPCLYOAJBQ-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133447900 971532725 /nfs/dbraw/zinc/53/27/25/971532725.db2.gz HMQDJJJZPYXCMJ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CC1 ZINC001133447901 971534472 /nfs/dbraw/zinc/53/44/72/971534472.db2.gz HMQDJJJZPYXCMJ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1CCC2(COC2)CC1 ZINC001257900171 971534933 /nfs/dbraw/zinc/53/49/33/971534933.db2.gz RHFZUKWIPZQSTA-ZDUSSCGKSA-N 1 0 221.344 2.337 20 30 BEEDRO C[C@H](CC(C)(C)S)OC[C@H]1CCC[NH2+]C1 ZINC001217929797 971535443 /nfs/dbraw/zinc/53/54/43/971535443.db2.gz XZSDFYDZIXWQEY-MNOVXSKESA-N 1 0 231.405 2.490 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CCCC1 ZINC001133465494 971537744 /nfs/dbraw/zinc/53/77/44/971537744.db2.gz OOVHCLXNDONKNF-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CCC1 ZINC001133465456 971538146 /nfs/dbraw/zinc/53/81/46/971538146.db2.gz NTHGPAPSLOQPMB-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CC(C)(F)F ZINC001133450838 971543357 /nfs/dbraw/zinc/54/33/57/971543357.db2.gz PJCJYPCLYOAJBQ-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(F)F ZINC001133453518 971543643 /nfs/dbraw/zinc/54/36/43/971543643.db2.gz ZRCDBWZLCBADGJ-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001133472858 971546530 /nfs/dbraw/zinc/54/65/30/971546530.db2.gz HEOXUQLYFQRIFR-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO Cc1c(C#N)ccc(O[C@H]2C[NH2+]C[C@H]2C)c1C ZINC001217965115 971547924 /nfs/dbraw/zinc/54/79/24/971547924.db2.gz NXZFGNKWAYQDEY-OTYXRUKQSA-N 1 0 230.311 2.162 20 30 BEEDRO Cc1c(C#N)ccc(O[C@@H]2CCC[NH2+]C2)c1C ZINC001217960914 971549242 /nfs/dbraw/zinc/54/92/42/971549242.db2.gz XPBVVNRSICAUSR-CYBMUJFWSA-N 1 0 230.311 2.306 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccccc1 ZINC001133525675 971552767 /nfs/dbraw/zinc/55/27/67/971552767.db2.gz ORNCZJSDQURHMS-OLZOCXBDSA-N 1 0 246.354 2.359 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC ZINC001133509156 971554580 /nfs/dbraw/zinc/55/45/80/971554580.db2.gz RRQYDYDAWKPMQP-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccccc1 ZINC001133525677 971556239 /nfs/dbraw/zinc/55/62/39/971556239.db2.gz ORNCZJSDQURHMS-STQMWFEESA-N 1 0 246.354 2.359 20 30 BEEDRO Cc1c(C#N)cccc1O[C@H]1C[NH2+]CCC[C@H]1F ZINC001217981880 971557838 /nfs/dbraw/zinc/55/78/38/971557838.db2.gz RVYOEHQCIZZXCV-OCCSQVGLSA-N 1 0 248.301 2.336 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)C ZINC001133540431 971558068 /nfs/dbraw/zinc/55/80/68/971558068.db2.gz LWPXSWSXCWGHLB-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO Cc1cccc(O[C@H]2C[NH2+]CCC[C@H]2F)c1C#N ZINC001217975170 971558324 /nfs/dbraw/zinc/55/83/24/971558324.db2.gz HQBBTIQOIJMJIW-OCCSQVGLSA-N 1 0 248.301 2.336 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2CC[NH+](CC(C)C)CC2)C1 ZINC001258017167 971559273 /nfs/dbraw/zinc/55/92/73/971559273.db2.gz URTPWYGRHURKKD-OAHLLOKOSA-N 1 0 248.414 2.452 20 30 BEEDRO CCCCCCC[C@H](C)[N@H+](C)C[C@H](O)CO ZINC001258045192 971562897 /nfs/dbraw/zinc/56/28/97/971562897.db2.gz YHFZFMLPRSWTFN-STQMWFEESA-N 1 0 231.380 2.020 20 30 BEEDRO CCCCCCC[C@@H](C)n1nnnc1C[NH3+] ZINC001258039765 971563026 /nfs/dbraw/zinc/56/30/26/971563026.db2.gz WPUVCYAKWUQBJX-SNVBAGLBSA-N 1 0 225.340 2.053 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@H]1CNC(=O)O1 ZINC001258043941 971566050 /nfs/dbraw/zinc/56/60/50/971566050.db2.gz VLSQFRHOORTTTJ-RYUDHWBXSA-N 1 0 242.363 2.433 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCOC[C@H](O)C1 ZINC001258045337 971568173 /nfs/dbraw/zinc/56/81/73/971568173.db2.gz ZISWQUWQTJSWKL-ZIAGYGMSSA-N 1 0 243.391 2.429 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCOC[C@@H](O)C1 ZINC001258045333 971568663 /nfs/dbraw/zinc/56/86/63/971568663.db2.gz ZISWQUWQTJSWKL-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO C=CCc1ccc(O[C@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218017366 971574052 /nfs/dbraw/zinc/57/40/52/971574052.db2.gz SVKRRIMDGKZEGG-STQMWFEESA-N 1 0 221.275 2.104 20 30 BEEDRO C=CCc1cccc(O[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC001218034147 971581880 /nfs/dbraw/zinc/58/18/80/971581880.db2.gz LNFJPNVPJDEGHP-BXUZGUMPSA-N 1 0 217.312 2.402 20 30 BEEDRO C#CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)CCCC ZINC001133764429 971596166 /nfs/dbraw/zinc/59/61/66/971596166.db2.gz HFWRFQFRGJCFIC-CHWSQXEVSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC ZINC001133707903 971591925 /nfs/dbraw/zinc/59/19/25/971591925.db2.gz MUUOCAZUCLWHIW-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]Cc1cccc2ccnn21 ZINC001170709320 971605647 /nfs/dbraw/zinc/60/56/47/971605647.db2.gz LJTPBGXJPKOMRZ-UHFFFAOYSA-N 1 0 243.386 2.262 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(F)cc2C#N)C1 ZINC001227026334 1169618506 /nfs/dbraw/zinc/61/85/06/1169618506.db2.gz USROBKZYMPMQRE-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(F)cc2C#N)C1 ZINC001227026337 1169618967 /nfs/dbraw/zinc/61/89/67/1169618967.db2.gz USROBKZYMPMQRE-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(C)c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218183162 971621160 /nfs/dbraw/zinc/62/11/60/971621160.db2.gz MBOQQPHXMZOQBF-ZDUSSCGKSA-N 1 0 203.285 2.460 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(OC(C)C)nc1 ZINC001218211082 971631628 /nfs/dbraw/zinc/63/16/28/971631628.db2.gz QDENXMSXEDMQDB-CYBMUJFWSA-N 1 0 248.326 2.166 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)ccc1F ZINC001218203406 971627053 /nfs/dbraw/zinc/62/70/53/971627053.db2.gz FIGGMXLXFXQOIA-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170721581 971642299 /nfs/dbraw/zinc/64/22/99/971642299.db2.gz WSUJNPGZUGJCSZ-CNDDSTCGSA-N 1 0 237.343 2.130 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(F)=C(C)C ZINC001134077733 971663107 /nfs/dbraw/zinc/66/31/07/971663107.db2.gz UPDOHGGQJDRUGW-QWRGUYRKSA-N 1 0 242.338 2.309 20 30 BEEDRO C=CC(N[C@@H](C)c1cccc(N)c1)=[NH+]COC ZINC001170728025 971667682 /nfs/dbraw/zinc/66/76/82/971667682.db2.gz QODURERALNAGPQ-JTQLQIEISA-N 1 0 233.315 2.108 20 30 BEEDRO Cc1c(C#N)ccc(O[C@H]2CCC[NH2+]C2)c1C ZINC001218280133 971672787 /nfs/dbraw/zinc/67/27/87/971672787.db2.gz XPBVVNRSICAUSR-ZDUSSCGKSA-N 1 0 230.311 2.306 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCCC(C)C ZINC001134202667 971682655 /nfs/dbraw/zinc/68/26/55/971682655.db2.gz RIGWVNPDDSEQJL-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCc1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218321536 971709089 /nfs/dbraw/zinc/70/90/89/971709089.db2.gz PWRVVGYTFXQYNR-KGLIPLIRSA-N 1 0 235.302 2.494 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CC1CCCCCC1 ZINC001134410210 971723729 /nfs/dbraw/zinc/72/37/29/971723729.db2.gz IQKJAQIYUPPKEX-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc2ccc(C#N)cc2c1 ZINC001218384942 971763946 /nfs/dbraw/zinc/76/39/46/971763946.db2.gz JYGHSYRBSOCURB-BMIGLBTASA-N 1 0 238.290 2.451 20 30 BEEDRO C=C(C)c1ccc(O[C@H]2C[NH2+][C@H]2C)cc1 ZINC001218388559 971768612 /nfs/dbraw/zinc/76/86/12/971768612.db2.gz SGQXURVSOKNUJZ-GWCFXTLKSA-N 1 0 203.285 2.459 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1CCCOCC1 ZINC001170768376 971771718 /nfs/dbraw/zinc/77/17/18/971771718.db2.gz XJUTWCWYANSQDK-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCc1ccc(O[C@@H]2C[NH2+][C@@H]2C)cc1 ZINC001218393177 971772861 /nfs/dbraw/zinc/77/28/61/971772861.db2.gz SPLHKGZZRCOXDK-ZWNOBZJWSA-N 1 0 203.285 2.154 20 30 BEEDRO Cc1cccc(O[C@H]2CC[C@@H](C)[NH2+]C2)c1C#N ZINC001218401489 971776766 /nfs/dbraw/zinc/77/67/66/971776766.db2.gz ZYVRZMSYCSMJAS-NEPJUHHUSA-N 1 0 230.311 2.386 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCCOCC2)CC1 ZINC001170775811 971800248 /nfs/dbraw/zinc/80/02/48/971800248.db2.gz OZYQSWFDNNFHSN-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1COC(C)(C)C1 ZINC001172275902 974493878 /nfs/dbraw/zinc/49/38/78/974493878.db2.gz JEFOBNABLDPJCG-NSHDSACASA-N 1 0 209.333 2.336 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC1(C)CC1 ZINC001135032361 971821286 /nfs/dbraw/zinc/82/12/86/971821286.db2.gz CZXKCQBOPWYWDH-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cc(OC)ccn1 ZINC001218451715 971822099 /nfs/dbraw/zinc/82/20/99/971822099.db2.gz LKGDUMDYCUUGPN-CHWSQXEVSA-N 1 0 248.326 2.166 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC(F)F ZINC001135011532 971822015 /nfs/dbraw/zinc/82/20/15/971822015.db2.gz FWAJJKABBGJTBP-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[C@H](C)[NH2+]CCC ZINC001135189078 971840500 /nfs/dbraw/zinc/84/05/00/971840500.db2.gz SWWMLCNAWAMZLX-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1(C)CCC1 ZINC001135193720 971841116 /nfs/dbraw/zinc/84/11/16/971841116.db2.gz NYUQILCTVFCCQW-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@H](C)[NH2+]CCC ZINC001135189077 971842142 /nfs/dbraw/zinc/84/21/42/971842142.db2.gz SWWMLCNAWAMZLX-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC1([NH2+][C@H]2CCCOCC2)CCCCC1 ZINC001170800804 971843915 /nfs/dbraw/zinc/84/39/15/971843915.db2.gz JMERWQWYNXVNIO-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c1 ZINC001231658414 1169675781 /nfs/dbraw/zinc/67/57/81/1169675781.db2.gz VXAOSVSCNDUJJU-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[C@@H](C)[NH2+]CC ZINC001135235130 971852540 /nfs/dbraw/zinc/85/25/40/971852540.db2.gz HBIUFXVJQDYXFO-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001231657933 1169677757 /nfs/dbraw/zinc/67/77/57/1169677757.db2.gz ORSWEYOISLFZMK-INIZCTEOSA-N 1 0 241.334 2.423 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c1 ZINC001231657355 1169678535 /nfs/dbraw/zinc/67/85/35/1169678535.db2.gz JGMIGXPDZZSRIR-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(CC)CC1 ZINC001135389883 971885686 /nfs/dbraw/zinc/88/56/86/971885686.db2.gz DSYJGKNNVQRSIZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000309970551 971901289 /nfs/dbraw/zinc/90/12/89/971901289.db2.gz PGZARDVWBGXLHS-LLVKDONJSA-N 1 0 240.734 2.334 20 30 BEEDRO N#Cc1cc[nH]c1NC(=O)CCCCCCC[NH3+] ZINC001218655636 971905069 /nfs/dbraw/zinc/90/50/69/971905069.db2.gz YUAXWVFNIMMXNW-UHFFFAOYSA-N 1 0 248.330 2.124 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CCC(C)(C)C ZINC001135534264 971911671 /nfs/dbraw/zinc/91/16/71/971911671.db2.gz VEFRUTIVJVHKPR-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H]1CCCOCC1 ZINC001170827912 971932763 /nfs/dbraw/zinc/93/27/63/971932763.db2.gz PEGACPLMMAPKFE-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1csnn1 ZINC001331084530 974592052 /nfs/dbraw/zinc/59/20/52/974592052.db2.gz ZOBUVNBAIJTGPZ-UHFFFAOYSA-N 1 0 223.345 2.211 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H](C)CC(C)C ZINC001170828668 971938734 /nfs/dbraw/zinc/93/87/34/971938734.db2.gz GZVPVJJHUURRGJ-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C#CC1([NH2+][C@H](C)CCO[C@H](C)CC)CC1 ZINC001172341502 974607720 /nfs/dbraw/zinc/60/77/20/974607720.db2.gz GOKUFFRIHLLRIY-VXGBXAGGSA-N 1 0 209.333 2.336 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)[C@@H](C)CC ZINC001135863377 971985265 /nfs/dbraw/zinc/98/52/65/971985265.db2.gz HGBGOEQTEHFSCI-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H](CC)CCC ZINC001135875209 971988266 /nfs/dbraw/zinc/98/82/66/971988266.db2.gz SBRIOIGHGMCKNA-LLVKDONJSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCCC[C@@H]1CC ZINC001136080191 972030447 /nfs/dbraw/zinc/03/04/47/972030447.db2.gz DMBXVWHUMJRICK-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ncc(C#N)c2ccsc21 ZINC001170889492 972034817 /nfs/dbraw/zinc/03/48/17/972034817.db2.gz FFFVCWMCPCDMMB-MRVPVSSYSA-N 1 0 246.339 2.317 20 30 BEEDRO Cc1cc(NCC[C@@H](C)[NH3+])ccc1CC#N ZINC001170890066 972040427 /nfs/dbraw/zinc/04/04/27/972040427.db2.gz CGGKOTQMRRLJRT-LLVKDONJSA-N 1 0 217.316 2.210 20 30 BEEDRO SCCCNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001171000096 972225485 /nfs/dbraw/zinc/22/54/85/972225485.db2.gz WFXCXWFBXKGVDQ-LLVKDONJSA-N 1 0 237.372 2.238 20 30 BEEDRO SCCCNc1cccc2c1C[NH2+]CC2 ZINC001171002107 972226659 /nfs/dbraw/zinc/22/66/59/972226659.db2.gz FXYGTUZAIWKLJQ-UHFFFAOYSA-N 1 0 222.357 2.064 20 30 BEEDRO [NH3+][C@H]1CCc2c1cccc2NCCCS ZINC001171003306 972228076 /nfs/dbraw/zinc/22/80/76/972228076.db2.gz TVSNNGVDTPLBLM-NSHDSACASA-N 1 0 222.357 2.364 20 30 BEEDRO C#CC[NH+](CC#C)[C@H]1CCc2cccc(F)c2C1 ZINC001171004794 972232875 /nfs/dbraw/zinc/23/28/75/972232875.db2.gz JIVHHMWMIQNCQS-AWEZNQCLSA-N 1 0 241.309 2.251 20 30 BEEDRO CS[C@H](C)CC[NH+]1CCC(C#N)CC1 ZINC001208137439 956999437 /nfs/dbraw/zinc/99/94/37/956999437.db2.gz IOWBXDYISORZOQ-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CCc2cccc(F)c2C1 ZINC001171004795 972234293 /nfs/dbraw/zinc/23/42/93/972234293.db2.gz JIVHHMWMIQNCQS-CQSZACIVSA-N 1 0 241.309 2.251 20 30 BEEDRO CS[C@H](C)CC[N@@H+]1CCC[C@@H](C#N)C1 ZINC001208148383 957020199 /nfs/dbraw/zinc/02/01/99/957020199.db2.gz RUVNHXDBBHCJFE-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000234775993 957175006 /nfs/dbraw/zinc/17/50/06/957175006.db2.gz NTDQCMHJDVUXGR-BDAKNGLRSA-N 1 0 203.713 2.142 20 30 BEEDRO C#CCCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000692973245 957185889 /nfs/dbraw/zinc/18/58/89/957185889.db2.gz BIOWXXMFBHZPQR-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C1(CC)CCC1 ZINC001266311678 957198210 /nfs/dbraw/zinc/19/82/10/957198210.db2.gz FQHYYERCQAUAKL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000691551568 972255867 /nfs/dbraw/zinc/25/58/67/972255867.db2.gz SQZMODDEKIYWNU-WDEREUQCSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCCCC[N@@H+](C)CCC1OCCO1 ZINC001209205353 957349434 /nfs/dbraw/zinc/34/94/34/957349434.db2.gz WPSFCRAAMPXCLM-UHFFFAOYSA-N 1 0 213.321 2.038 20 30 BEEDRO C[C@H]1C[C@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209422192 957432971 /nfs/dbraw/zinc/43/29/71/957432971.db2.gz SQGJQEFWDYXAOM-PJSNJIKXSA-N 1 0 204.317 2.409 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC)C1 ZINC001266448522 957571168 /nfs/dbraw/zinc/57/11/68/957571168.db2.gz PHWXKGFGLIJXNF-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C[N@@H+]1CC[C@H](Nc2ccc(OCCC#N)cc2)C1 ZINC001167278566 957624127 /nfs/dbraw/zinc/62/41/27/957624127.db2.gz MNNXKXRZCGWDMD-ZDUSSCGKSA-N 1 0 245.326 2.095 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693120389 957685761 /nfs/dbraw/zinc/68/57/61/957685761.db2.gz LKBWVJBBLAIMIF-XQQFMLRXSA-N 1 0 223.360 2.434 20 30 BEEDRO Cc1ccc(C#N)cc1Nc1[nH+]ccn1C ZINC001210498983 957766348 /nfs/dbraw/zinc/76/63/48/957766348.db2.gz VLHGBFYZWWXOGW-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO SC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC001203154698 957805308 /nfs/dbraw/zinc/80/53/08/957805308.db2.gz FKOZUAKTTJIRSF-UHFFFAOYSA-N 1 0 247.367 2.229 20 30 BEEDRO C=CCCCCCCN1CC[NH2+]C[C@H](F)C1 ZINC001210582007 957807766 /nfs/dbraw/zinc/80/77/66/957807766.db2.gz WAICPZBASUEDAI-ZDUSSCGKSA-N 1 0 228.355 2.366 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001266580788 957906581 /nfs/dbraw/zinc/90/65/81/957906581.db2.gz HWJRWEPSRMELLE-XXVYOGPQSA-N 1 0 236.359 2.156 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cc1C#N ZINC001207106327 958026965 /nfs/dbraw/zinc/02/69/65/958026965.db2.gz JQRSPIKNEICVIK-GFCCVEGCSA-N 1 0 242.326 2.022 20 30 BEEDRO Cc1cc(Cl)nc(Nc2c[nH+]cn2C)c1C#N ZINC001211248516 958110448 /nfs/dbraw/zinc/11/04/48/958110448.db2.gz NKIHTWQASVRUDI-UHFFFAOYSA-N 1 0 247.689 2.392 20 30 BEEDRO Cn1c[nH+]cc1Nc1cc(C#N)ccc1F ZINC001211249844 958115711 /nfs/dbraw/zinc/11/57/11/958115711.db2.gz FGUZEQIIPUHDNT-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccsc1C#N ZINC001211259853 958126556 /nfs/dbraw/zinc/12/65/56/958126556.db2.gz KEOYJKFURFGQJV-UHFFFAOYSA-N 1 0 231.280 2.189 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@H](O)c2cccc(C#N)c2)C1 ZINC000402207377 958184595 /nfs/dbraw/zinc/18/45/95/958184595.db2.gz LFCGMXZPVILLSN-DOMZBBRYSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CC[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccccc1 ZINC001221360437 972327108 /nfs/dbraw/zinc/32/71/08/972327108.db2.gz IRQVKUXNSCIIPL-WCQYABFASA-N 1 0 232.327 2.015 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C)c2)C1 ZINC001021798259 958243518 /nfs/dbraw/zinc/24/35/18/958243518.db2.gz HGGVMWBUROKCND-OKILXGFUSA-N 1 0 244.338 2.031 20 30 BEEDRO COc1ccc(C[N@@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001137037460 972336505 /nfs/dbraw/zinc/33/65/05/972336505.db2.gz APWUBTCLZMKCNV-LBPRGKRZSA-N 1 0 245.326 2.216 20 30 BEEDRO N#Cc1ccc(OCCC[N@H+]2CC[C@@H](F)C2)cc1 ZINC000689827551 958340638 /nfs/dbraw/zinc/34/06/38/958340638.db2.gz NLRLZCDFJHRLEX-CYBMUJFWSA-N 1 0 248.301 2.371 20 30 BEEDRO C=CCCC(=O)N1C[C@H]2CC[N@@H+](CCC=C)C[C@H]21 ZINC001221431020 972342116 /nfs/dbraw/zinc/34/21/16/972342116.db2.gz XKRVQLNHZVHLGB-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCCc2ncccc21 ZINC001348561160 958423532 /nfs/dbraw/zinc/42/35/32/958423532.db2.gz PULRLJXBCJPYNK-RISCZKNCSA-N 1 0 232.327 2.250 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCCc2ncccc21 ZINC001348561143 958427546 /nfs/dbraw/zinc/42/75/46/958427546.db2.gz PULRLJXBCJPYNK-FZMZJTMJSA-N 1 0 232.327 2.250 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2ccc(OC)cc12 ZINC000196395971 972347214 /nfs/dbraw/zinc/34/72/14/972347214.db2.gz JHINUUJESDIBOE-UHFFFAOYSA-N 1 0 228.295 2.242 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)CC[NH2+]CC(=C)C ZINC001266827768 958460764 /nfs/dbraw/zinc/46/07/64/958460764.db2.gz AOQHZTADMWUQAF-CQSZACIVSA-N 1 0 238.375 2.213 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2cc(Cl)ccc2C1 ZINC001171095101 972349923 /nfs/dbraw/zinc/34/99/23/972349923.db2.gz NJVNHWZFCFSODS-CYBMUJFWSA-N 1 0 219.715 2.420 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]2CC[N@H+](CC=C)C[C@H]21 ZINC001221779981 972351731 /nfs/dbraw/zinc/35/17/31/972351731.db2.gz WIANGXCLAZDYRG-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC)C1 ZINC001266888172 958547480 /nfs/dbraw/zinc/54/74/80/958547480.db2.gz BYTPNDFSDQFDAW-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H](C)CCC ZINC001266926634 958596992 /nfs/dbraw/zinc/59/69/92/958596992.db2.gz CMKZMKNFSWHXCT-GXSJLCMTSA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001266927274 958606226 /nfs/dbraw/zinc/60/62/26/958606226.db2.gz JJDFLPZLFRBLSK-QDZRJHCZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001266927273 958606458 /nfs/dbraw/zinc/60/64/58/958606458.db2.gz JJDFLPZLFRBLSK-KRZKBDHCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CNC(=O)c1cc[nH]c1 ZINC001266941755 958631555 /nfs/dbraw/zinc/63/15/55/958631555.db2.gz SXWOPMDWDHNITL-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CC1CC1 ZINC001480906757 958662018 /nfs/dbraw/zinc/66/20/18/958662018.db2.gz GJUBBOXHICKQNQ-AWEZNQCLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC1(C)C ZINC001266964911 958670391 /nfs/dbraw/zinc/67/03/91/958670391.db2.gz RYMAPYAOMNJPNI-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001266975086 958685967 /nfs/dbraw/zinc/68/59/67/958685967.db2.gz JYLDOWNHZOFADA-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C#CCSCC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403569902 958700531 /nfs/dbraw/zinc/70/05/31/958700531.db2.gz OBLJWVWFPLFCER-YOGCLGLASA-N 1 0 241.425 2.369 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC)C1 ZINC001267072697 958827123 /nfs/dbraw/zinc/82/71/23/958827123.db2.gz HQSSHSOXMJRROC-QWHCGFSZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC001167548859 958857814 /nfs/dbraw/zinc/85/78/14/958857814.db2.gz JEYBLYMIJHPKLT-CHWSQXEVSA-N 1 0 239.359 2.472 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C(C)(F)F ZINC001267116280 958892943 /nfs/dbraw/zinc/89/29/43/958892943.db2.gz DNWYRERWGFMCCU-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000403918667 958930993 /nfs/dbraw/zinc/93/09/93/958930993.db2.gz ZJGUXYRUUZGUKF-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO COc1cc(-n2cccc2C[NH3+])ccc1CC#N ZINC001167593595 958995808 /nfs/dbraw/zinc/99/58/08/958995808.db2.gz VAKHSVGQZZYXQI-UHFFFAOYSA-N 1 0 241.294 2.011 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)C(C)=C1CCC1 ZINC001267194410 959128909 /nfs/dbraw/zinc/12/89/09/959128909.db2.gz OTWZKXRWXBLJCE-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H](C)C(C)C ZINC001267219903 959207890 /nfs/dbraw/zinc/20/78/90/959207890.db2.gz BLZHHGPMUSXCBT-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)C=C(C)C ZINC001267309197 959405888 /nfs/dbraw/zinc/40/58/88/959405888.db2.gz HECOIRSSEFGQQY-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccnc1N(C)C ZINC001327139421 972435360 /nfs/dbraw/zinc/43/53/60/972435360.db2.gz PIDNRLHEZJWDBM-UHFFFAOYSA-N 1 0 231.343 2.041 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)CC#N)CCO1 ZINC000308881508 959537310 /nfs/dbraw/zinc/53/73/10/959537310.db2.gz UNQXQKPOROWQSE-WOPDTQHZSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000308989285 959549030 /nfs/dbraw/zinc/54/90/30/959549030.db2.gz KRDNEOGLFUBRJL-NWDGAFQWSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C(CC)CC ZINC001283569405 959577339 /nfs/dbraw/zinc/57/73/39/959577339.db2.gz GESNNUXHEWRBJU-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC001351410292 959610772 /nfs/dbraw/zinc/61/07/72/959610772.db2.gz AATSSGHMHDIVKI-DCAQKATOSA-N 1 0 249.276 2.440 20 30 BEEDRO CCCCCCCCO[C@H]1C[NH2+]C[C@H]1C#N ZINC001217833743 959630118 /nfs/dbraw/zinc/63/01/18/959630118.db2.gz SVXUZMRFIOSVCD-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)CC(C)=C(C)C ZINC001267412931 959640677 /nfs/dbraw/zinc/64/06/77/959640677.db2.gz LHIRPACFESYAMS-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]CC1(CC#N)CC1 ZINC000694059852 959697878 /nfs/dbraw/zinc/69/78/78/959697878.db2.gz NXFXQUBFJXWEHD-GFCCVEGCSA-N 1 0 229.327 2.296 20 30 BEEDRO C=C[C@@H](C#CC(C)(C)C)OC[C@@H]1CCC[NH2+]1 ZINC001217915507 959751151 /nfs/dbraw/zinc/75/11/51/959751151.db2.gz LVTXMXWUMSMQSG-STQMWFEESA-N 1 0 221.344 2.359 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@H+](C)CCC#N)C[C@H](C)O1 ZINC000724860394 959826654 /nfs/dbraw/zinc/82/66/54/959826654.db2.gz XDYJURNKGOKAHF-ZSBIGDGJSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC[NH+]1CCC(CNC(=O)CCCC)CC1 ZINC001222399341 972461817 /nfs/dbraw/zinc/46/18/17/972461817.db2.gz WTTZQECIDMUIBZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)c(C#N)cc1C ZINC001218207373 959889241 /nfs/dbraw/zinc/88/92/41/959889241.db2.gz QJZXIHOQSGZJQF-OAHLLOKOSA-N 1 0 242.322 2.472 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC)cc1CC ZINC000309417408 959946571 /nfs/dbraw/zinc/94/65/71/959946571.db2.gz CWGDQAITQPVNPD-LLVKDONJSA-N 1 0 217.312 2.369 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H]1CCC12CCCC2 ZINC000309606725 959964729 /nfs/dbraw/zinc/96/47/29/959964729.db2.gz YBQPIHOHLOGTNA-OLZOCXBDSA-N 1 0 221.344 2.073 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000695069756 960081370 /nfs/dbraw/zinc/08/13/70/960081370.db2.gz CYPNGXJKDMYALV-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)CCC(=C)C)C1 ZINC001267613848 960114609 /nfs/dbraw/zinc/11/46/09/960114609.db2.gz XCCYDWWSQGEPFZ-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@H+](CCNC(=O)C[C@H]1C=CCC1)C1CC1 ZINC001481158216 960134624 /nfs/dbraw/zinc/13/46/24/960134624.db2.gz ZUPVENNKJFKSDX-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+](CCNC(=O)C[C@@H]1C=CCC1)C1CC1 ZINC001481158214 960134977 /nfs/dbraw/zinc/13/49/77/960134977.db2.gz ZUPVENNKJFKSDX-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CCCC)C1 ZINC001267719426 960230025 /nfs/dbraw/zinc/23/00/25/960230025.db2.gz ZCQVXUIMEJNLLP-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001144018900 972489065 /nfs/dbraw/zinc/48/90/65/972489065.db2.gz VUVWZSLSMVZPRL-QWHCGFSZSA-N 1 0 238.375 2.140 20 30 BEEDRO CC(C)[C@H](C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000178580366 960235579 /nfs/dbraw/zinc/23/55/79/960235579.db2.gz RSBNTORYJFSBLR-NWDGAFQWSA-N 1 0 225.380 2.325 20 30 BEEDRO CN(C)C(=[NH2+])NCCCCC1CCCC1 ZINC000178578220 960236449 /nfs/dbraw/zinc/23/64/49/960236449.db2.gz CLSWGZOQZPPPEK-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001267737928 960259088 /nfs/dbraw/zinc/25/90/88/960259088.db2.gz JGBZDBPDQIBYNG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001267748982 960287695 /nfs/dbraw/zinc/28/76/95/960287695.db2.gz GBOYHUSMRADYIZ-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)[C@H]1CC[N@@H+](CC)C1 ZINC001267762013 960305938 /nfs/dbraw/zinc/30/59/38/960305938.db2.gz BXXUVJAQFBBHGH-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)C1(Cl)CC1 ZINC000695657797 960329078 /nfs/dbraw/zinc/32/90/78/960329078.db2.gz JHVXCTCKSVHKIH-ZJUUUORDSA-N 1 0 217.740 2.063 20 30 BEEDRO C=CC[NH2+]C[C@](C)(NC(=O)[C@H](C)CC)C1CC1 ZINC001267848993 960437372 /nfs/dbraw/zinc/43/73/72/960437372.db2.gz LSXJJFXHODSPOT-RISCZKNCSA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(C)(C)N(C)C ZINC000695776720 960453061 /nfs/dbraw/zinc/45/30/61/960453061.db2.gz FENXLIJBXIFDTG-LLVKDONJSA-N 1 0 225.380 2.245 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(C)CCOC1 ZINC000695777760 960455819 /nfs/dbraw/zinc/45/58/19/960455819.db2.gz ILCRLZWRLFMTFK-AAEUAGOBSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C[C@H](C)O ZINC000695780858 960456391 /nfs/dbraw/zinc/45/63/91/960456391.db2.gz VWVVDWUDTCXERP-WOPDTQHZSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)CC(C)(C)O ZINC000695835920 960501290 /nfs/dbraw/zinc/50/12/90/960501290.db2.gz JDQCXHCHDBHNKY-MNOVXSKESA-N 1 0 226.364 2.454 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(=O)NC(C)C)cc1 ZINC001140619004 960462814 /nfs/dbraw/zinc/46/28/14/960462814.db2.gz HUWUCLPGESYIOS-UHFFFAOYSA-N 1 0 246.354 2.443 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H](C)C1 ZINC001481286209 960584451 /nfs/dbraw/zinc/58/44/51/960584451.db2.gz FGIIJKCBQGLMOJ-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO CN(CC1C[NH+](C)C1)c1ccc(C#N)cc1Cl ZINC000692760420 960595381 /nfs/dbraw/zinc/59/53/81/960595381.db2.gz YUGDLALUJSEVKK-UHFFFAOYSA-N 1 0 249.745 2.209 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2[nH]cc(C)c2C)C1 ZINC001140862363 960640811 /nfs/dbraw/zinc/64/08/11/960640811.db2.gz BRFHYEHJOQMDIJ-CYBMUJFWSA-N 1 0 216.328 2.477 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H]1COC ZINC000686692946 960800735 /nfs/dbraw/zinc/80/07/35/960800735.db2.gz PPJIYQMWVVNYGI-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CC1CC[NH+](Cc2ccn3ccnc3c2)CC1 ZINC001141046544 960833172 /nfs/dbraw/zinc/83/31/72/960833172.db2.gz FKIBWQZVVLSVHK-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C=C1CCC1 ZINC001268057953 961104904 /nfs/dbraw/zinc/10/49/04/961104904.db2.gz UFHVSFNSWSBHBT-LBPRGKRZSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2cc(F)ccc2n1 ZINC001141649139 961133301 /nfs/dbraw/zinc/13/33/01/961133301.db2.gz PXXVMUXHBPVHCX-UHFFFAOYSA-N 1 0 228.270 2.439 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]C(C)C ZINC001268079014 961147902 /nfs/dbraw/zinc/14/79/02/961147902.db2.gz NOWQVPGSTLYLMG-NSHDSACASA-N 1 0 226.364 2.044 20 30 BEEDRO N#Cc1cccc(CN2CCC[NH2+]CC2)c1Cl ZINC001204667348 961148455 /nfs/dbraw/zinc/14/84/55/961148455.db2.gz IVEUOTVKYNYVEC-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CNC(=O)C1 ZINC000840839022 961212495 /nfs/dbraw/zinc/21/24/95/961212495.db2.gz WFSRBAGENZHCLO-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[NH+](CC)CCC[C@H](C)N(C)[C@H](C)C#N ZINC001167842016 961234686 /nfs/dbraw/zinc/23/46/86/961234686.db2.gz VSSOFRAODZZGOZ-QWHCGFSZSA-N 1 0 225.380 2.341 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C ZINC001268114252 961240482 /nfs/dbraw/zinc/24/04/82/961240482.db2.gz SPYZQEJUGQEPKJ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO N#C[C@H]1CC[C@H](Nc2cccc(C[NH3+])n2)CC1 ZINC001167846091 961254633 /nfs/dbraw/zinc/25/46/33/961254633.db2.gz UVSKDWJVSPEWQI-XYPYZODXSA-N 1 0 230.315 2.035 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)[C@H](C)CC)C(C)C ZINC001268204683 961416213 /nfs/dbraw/zinc/41/62/13/961416213.db2.gz JPQLUPNLAVQAOG-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCCC(=O)NC[C@@H]([NH2+]CC1CC1)C(C)C ZINC001268208078 961426926 /nfs/dbraw/zinc/42/69/26/961426926.db2.gz XDGVVLXHGNHUIA-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](CNC(=O)CC)C(C)C ZINC001268206369 961427214 /nfs/dbraw/zinc/42/72/14/961427214.db2.gz RDDWFEIMHRUGCB-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCn1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cn1 ZINC001139766791 961483595 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961651027 /nfs/dbraw/zinc/65/10/27/961651027.db2.gz ZBOLNFUNTJTHRJ-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO N#Cc1cc(F)cc(C[N@H+]2CCCC[C@H](O)C2)c1 ZINC001139873627 961820986 /nfs/dbraw/zinc/82/09/86/961820986.db2.gz YPIYHQHTQBHDNN-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)C(C)(C)F ZINC001481784415 961823771 /nfs/dbraw/zinc/82/37/71/961823771.db2.gz ZSJMJDHFZZODTP-LLVKDONJSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](CC)[NH2+]CC(C)C ZINC001481816216 961834601 /nfs/dbraw/zinc/83/46/01/961834601.db2.gz CIRDIHVXLJCFLM-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C#CCCCCC[NH+]1CCC(C)(CO)CC1 ZINC000686673918 961876615 /nfs/dbraw/zinc/87/66/15/961876615.db2.gz ORYBYLFYVXSWSI-UHFFFAOYSA-N 1 0 223.360 2.274 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)C1CC=CC1 ZINC001268525182 961920994 /nfs/dbraw/zinc/92/09/94/961920994.db2.gz VOPMIVSJTRJOMM-BQYQJAHWSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)CC ZINC001482080426 961998253 /nfs/dbraw/zinc/99/82/53/961998253.db2.gz MDCBZWKHSQVYCI-NXEZZACHSA-N 1 0 246.782 2.127 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC(C)(C)COC)C1 ZINC000843424060 962001411 /nfs/dbraw/zinc/00/14/11/962001411.db2.gz UKROSPLHBOZNMT-ZDUSSCGKSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC1CC[NH+](CC2(SC)CC2)CC1 ZINC000843427040 962009520 /nfs/dbraw/zinc/00/95/20/962009520.db2.gz RUWYGVYQCHJTFI-UHFFFAOYSA-N 1 0 209.358 2.227 20 30 BEEDRO N#Cc1ccc(CN2CCCC[C@@H](C[NH3+])C2)s1 ZINC001206632651 962141833 /nfs/dbraw/zinc/14/18/33/962141833.db2.gz MZSVWFZCOXFHOH-NSHDSACASA-N 1 0 249.383 2.181 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[NH2+]C[C@H](C)CC ZINC001268639145 962229988 /nfs/dbraw/zinc/22/99/88/962229988.db2.gz GEDHTQZMCHIKJW-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H](C)C[NH2+]CCC ZINC001482146144 962175713 /nfs/dbraw/zinc/17/57/13/962175713.db2.gz CIAXZTSZNGQRSK-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)c1cccs1 ZINC001268636714 962219875 /nfs/dbraw/zinc/21/98/75/962219875.db2.gz JLRUPFMAALVSNZ-SNVBAGLBSA-N 1 0 238.356 2.032 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)c1ccccc1C ZINC001268677733 962272571 /nfs/dbraw/zinc/27/25/71/962272571.db2.gz PCMDBHRSTNFJEC-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)c1cccs1 ZINC001268677785 962275469 /nfs/dbraw/zinc/27/54/69/962275469.db2.gz QRLCKSXBHIJXIL-JTQLQIEISA-N 1 0 238.356 2.032 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC1(C)C ZINC001268683108 962281150 /nfs/dbraw/zinc/28/11/50/962281150.db2.gz XVJRGOHRGXQLOH-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001268698884 962293674 /nfs/dbraw/zinc/29/36/74/962293674.db2.gz AMIOUOPXRNIVSE-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC001268710466 962308956 /nfs/dbraw/zinc/30/89/56/962308956.db2.gz JCHINWFQGOINJM-OLZOCXBDSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(C)(CC)CC ZINC001151607367 962313655 /nfs/dbraw/zinc/31/36/55/962313655.db2.gz YKDOTCVEDWCAEB-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCC ZINC001151566096 962315024 /nfs/dbraw/zinc/31/50/24/962315024.db2.gz RIQRJOQTJJIWSD-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[N@@H+](C)CCC ZINC001268743730 962329229 /nfs/dbraw/zinc/32/92/29/962329229.db2.gz PQPUYUOZSCEWKS-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCC(C)C ZINC001151765799 962331684 /nfs/dbraw/zinc/33/16/84/962331684.db2.gz BSRJMYDRFAGEGA-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C(C)(C)CCCCC ZINC001151864023 962347046 /nfs/dbraw/zinc/34/70/46/962347046.db2.gz OJMZGHYPLGQGEK-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C=C(\C)CC ZINC001268939943 962388119 /nfs/dbraw/zinc/38/81/19/962388119.db2.gz WNVJWLRMDPMSFS-QZKSUSQMSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)/C(C)=C\CC ZINC001152189090 962398959 /nfs/dbraw/zinc/39/89/59/962398959.db2.gz QFNNZDKQIOXNGK-KIWPFMIBSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001269061228 962438041 /nfs/dbraw/zinc/43/80/41/962438041.db2.gz HBSPPRJILOWQCH-JSGCOSHPSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C)C1CC1 ZINC001152636662 962458296 /nfs/dbraw/zinc/45/82/96/962458296.db2.gz QBELALSQDUKXLQ-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](CCCC)C(C)C ZINC001152652233 962459112 /nfs/dbraw/zinc/45/91/12/962459112.db2.gz BRTATJJDPWEAQW-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C1CCC(C)(C)CC1 ZINC001152842998 962482599 /nfs/dbraw/zinc/48/25/99/962482599.db2.gz IPQVEYKOKQSCKD-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)/C=C(/C)C1CC1 ZINC001269205528 962537722 /nfs/dbraw/zinc/53/77/22/962537722.db2.gz MFLVWRBCOVLVBA-UNJUUPHPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)/C=C(\C)CC ZINC001153180305 962543077 /nfs/dbraw/zinc/54/30/77/962543077.db2.gz DSTRLACBBWTMIY-RSKUSDAESA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C)CC1 ZINC001153497462 962593481 /nfs/dbraw/zinc/59/34/81/962593481.db2.gz VBUZZTYXPGMBOI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C2CC=CC2)CCCC1 ZINC001482214895 962608423 /nfs/dbraw/zinc/60/84/23/962608423.db2.gz KGCXDGPGBUBITC-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCC(=O)NC[C@@H](CC)[NH2+]CC(=C)Cl ZINC001269378167 962632988 /nfs/dbraw/zinc/63/29/88/962632988.db2.gz NPAOSKDJDHYOOX-LLVKDONJSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)[C@H]2CC=CCC2)CC1 ZINC001269374608 962639884 /nfs/dbraw/zinc/63/98/84/962639884.db2.gz NQMVEJJVCAUOIW-ZDUSSCGKSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](CC)[NH2+]C(C)C ZINC001269407391 962656018 /nfs/dbraw/zinc/65/60/18/962656018.db2.gz DFGXKENTBLXHMJ-GFCCVEGCSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](CC)[NH2+]CC(C)C ZINC001269448180 962676469 /nfs/dbraw/zinc/67/64/69/962676469.db2.gz JNPBWHBJLKMLED-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H](CC)[NH2+]CC ZINC001269476745 962681015 /nfs/dbraw/zinc/68/10/15/962681015.db2.gz GUPSTLOLABUICI-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167953972 962754150 /nfs/dbraw/zinc/75/41/50/962754150.db2.gz YJDVVLQYVHDYNX-GDNZZTSVSA-N 1 0 204.317 2.411 20 30 BEEDRO CC(C)[N@H+]([C@H]1CC[C@H](C#N)C1)C(C)(C)CN ZINC001254653730 1169814467 /nfs/dbraw/zinc/81/44/67/1169814467.db2.gz PQGXKJKERDZLMG-RYUDHWBXSA-N 1 0 223.364 2.126 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@H]1C=CCC1 ZINC001154494871 962786143 /nfs/dbraw/zinc/78/61/43/962786143.db2.gz WFOWYHOYOKYZNS-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)/C(C)=C\CC ZINC001270016296 962840146 /nfs/dbraw/zinc/84/01/46/962840146.db2.gz QEXINIFPDVMNNH-FFXRNRBCSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCN1C(=O)/C(C)=C/CC ZINC001270016295 962840869 /nfs/dbraw/zinc/84/08/69/962840869.db2.gz QEXINIFPDVMNNH-BWODNOAJSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)C(CC)CC ZINC001154828725 962860053 /nfs/dbraw/zinc/86/00/53/962860053.db2.gz BWTPPWAUKQSQDR-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CCC ZINC001270114173 962871143 /nfs/dbraw/zinc/87/11/43/962871143.db2.gz XSNVYJULDJXJOK-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]CCC(C)C ZINC001482266703 962872121 /nfs/dbraw/zinc/87/21/21/962872121.db2.gz ZLWGTFDYYWYJOP-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C(C)C ZINC000134938445 962898272 /nfs/dbraw/zinc/89/82/72/962898272.db2.gz VGXCGFDVNSFMCU-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC1(C)C ZINC001482272940 962907488 /nfs/dbraw/zinc/90/74/88/962907488.db2.gz GZTXAQGFVXTEGP-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCC(CCO)CC2)C1 ZINC001254649781 1169816580 /nfs/dbraw/zinc/81/65/80/1169816580.db2.gz QYUPVABXAIENCC-FKZOYECMSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1nc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1CC#N ZINC001154988721 962935087 /nfs/dbraw/zinc/93/50/87/962935087.db2.gz RMXMCVZBYLJQRU-CHWSQXEVSA-N 1 0 244.342 2.138 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[NH2+]C(C)(C)C ZINC000390310174 962935507 /nfs/dbraw/zinc/93/55/07/962935507.db2.gz FPIPSNLMWBCJFV-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)C1CC1 ZINC000135064124 962962284 /nfs/dbraw/zinc/96/22/84/962962284.db2.gz HVNPIHASMBGLMJ-UHFFFAOYSA-N 1 0 226.364 2.073 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)C=C(C)C)C1 ZINC001270536696 963006577 /nfs/dbraw/zinc/00/65/77/963006577.db2.gz BSGYXVCUHBVSPU-AWEZNQCLSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCCC[N@@H+]1CCC(F)(F)[C@@H](N)C1 ZINC001206654343 963030572 /nfs/dbraw/zinc/03/05/72/963030572.db2.gz BYTGTECRXKMNHE-NSHDSACASA-N 1 0 232.318 2.401 20 30 BEEDRO C[NH+](C)CCNc1ncc(C#N)c2ccccc21 ZINC001161666493 963070443 /nfs/dbraw/zinc/07/04/43/963070443.db2.gz OWDRKNAFSLOFCP-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CC1CC(C)C1 ZINC001155587002 963118946 /nfs/dbraw/zinc/11/89/46/963118946.db2.gz TWAPRPPUFVCYGD-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C[NH+](C)CCNc1cc(Cl)ccc1CC#N ZINC001161672812 963140949 /nfs/dbraw/zinc/14/09/49/963140949.db2.gz JEYCIHSRLLAFST-UHFFFAOYSA-N 1 0 237.734 2.380 20 30 BEEDRO C[NH+](C)CCNc1ccc(CS)cc1 ZINC001161673086 963142578 /nfs/dbraw/zinc/14/25/78/963142578.db2.gz XATQSCUJLNEZFS-UHFFFAOYSA-N 1 0 210.346 2.090 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC1=CCCCC1 ZINC001155741241 963168045 /nfs/dbraw/zinc/16/80/45/963168045.db2.gz NZIDBXFAABVWRI-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)[C@H](C)CCC ZINC001155868946 963190722 /nfs/dbraw/zinc/19/07/22/963190722.db2.gz YHBOPJNMPWRHEY-SNVBAGLBSA-N 1 0 246.782 2.271 20 30 BEEDRO CC(=O)C=C(C)Nc1cc(N(C)C)cc[nH+]1 ZINC001155890613 963192645 /nfs/dbraw/zinc/19/26/45/963192645.db2.gz WDHLMUGCJAAPAM-CLFYSBASSA-N 1 0 219.288 2.052 20 30 BEEDRO CCN1CCC([N@H+](C)[C@H]2CC[C@H](C#N)C2)CC1 ZINC001254669351 1169821003 /nfs/dbraw/zinc/82/10/03/1169821003.db2.gz RINXBGDARFUTBA-JSGCOSHPSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](F)CC ZINC001482392571 963242228 /nfs/dbraw/zinc/24/22/28/963242228.db2.gz YTVLGBIHQCUGLO-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)CC)C1CCCCC1 ZINC001482403833 963248172 /nfs/dbraw/zinc/24/81/72/963248172.db2.gz YAQPWFHUSXNSEY-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C1CC=CC1 ZINC001156074755 963249481 /nfs/dbraw/zinc/24/94/81/963249481.db2.gz PPYRXXBTANMCON-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)CC ZINC001270948156 963307444 /nfs/dbraw/zinc/30/74/44/963307444.db2.gz PMODVBLCNIBRJB-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCC1CCC1 ZINC001156313219 963311930 /nfs/dbraw/zinc/31/19/30/963311930.db2.gz PAPZAXSDNJLCNT-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)CC ZINC001271083767 963350209 /nfs/dbraw/zinc/35/02/09/963350209.db2.gz SGRXFXWCVCURHY-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C1=CCCC1 ZINC001156527559 963376107 /nfs/dbraw/zinc/37/61/07/963376107.db2.gz BWJQZVWVYICGEV-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(F)=C1CCCC1 ZINC001156541570 963378371 /nfs/dbraw/zinc/37/83/71/963378371.db2.gz VTQJUHVTOQMKDU-UHFFFAOYSA-N 1 0 240.322 2.066 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000895563239 963433572 /nfs/dbraw/zinc/43/35/72/963433572.db2.gz XVIKQJUTZQRSPC-ZDUSSCGKSA-N 1 0 231.343 2.057 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccnc(OC)c2F)C1 ZINC000895562668 963435213 /nfs/dbraw/zinc/43/52/13/963435213.db2.gz KLUDOKNDMTYFDW-LLVKDONJSA-N 1 0 248.301 2.075 20 30 BEEDRO C#CCO[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001205006018 963459139 /nfs/dbraw/zinc/45/91/39/963459139.db2.gz AHADRDIBTPWTSJ-OAHLLOKOSA-N 1 0 229.323 2.301 20 30 BEEDRO C#CCO[C@H](CC[NH+](C)C)c1ccccc1 ZINC001205012509 963512151 /nfs/dbraw/zinc/51/21/51/963512151.db2.gz PVMRRZZTWJAINM-CQSZACIVSA-N 1 0 217.312 2.329 20 30 BEEDRO Cc1c[nH+]c(N[C@H]2CC[C@H](C#N)CC2)c(N)c1 ZINC001157055458 963519795 /nfs/dbraw/zinc/51/97/95/963519795.db2.gz JHNQBQHZHBZYAO-XYPYZODXSA-N 1 0 230.315 2.467 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@H](C)CC ZINC001157147149 963546687 /nfs/dbraw/zinc/54/66/87/963546687.db2.gz FYXXGVMKMPXMLZ-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2cccc(C#N)c2Cl)C1 ZINC001204783318 963547191 /nfs/dbraw/zinc/54/71/91/963547191.db2.gz REVUZERZLQIYCL-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1CC(C)(C)C1 ZINC001126601804 963594343 /nfs/dbraw/zinc/59/43/43/963594343.db2.gz QQADOCWGEHSZPQ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO Cc1nc(NC2(C)CC[NH2+]CC2)ccc1CC#N ZINC001157402872 963596361 /nfs/dbraw/zinc/59/63/61/963596361.db2.gz HVIPKXPZZQECEP-UHFFFAOYSA-N 1 0 244.342 2.010 20 30 BEEDRO N#Cc1cc(CN2CCC[NH2+]CC2)ccc1Cl ZINC001204685004 963614817 /nfs/dbraw/zinc/61/48/17/963614817.db2.gz RKHHGIMJKASXHE-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2ccc(Cl)c(C#N)c2)C1 ZINC001204800325 963632980 /nfs/dbraw/zinc/63/29/80/963632980.db2.gz CBMGYTQACIZUQL-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO N=C(Nc1cc2[nH]ccc2c[nH+]1)c1nccs1 ZINC001157491279 963634579 /nfs/dbraw/zinc/63/45/79/963634579.db2.gz UYPNAPVNNSVTKS-UHFFFAOYSA-N 1 0 243.295 2.056 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)CCC)C(C)C ZINC001271800538 963640476 /nfs/dbraw/zinc/64/04/76/963640476.db2.gz SUJXGPWTHHTILB-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO COCC[N@H+](CCF)CCCC(C)(C)C#N ZINC000697021148 963644272 /nfs/dbraw/zinc/64/42/72/963644272.db2.gz BJMKNECSWLXUPY-UHFFFAOYSA-N 1 0 230.327 2.234 20 30 BEEDRO C=CCCC(=O)NC[C@@H]([NH2+]CC(=C)C)C(C)C ZINC001271816517 963649950 /nfs/dbraw/zinc/64/99/50/963649950.db2.gz ZPAOWDPLIBLLKL-CYBMUJFWSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCCC(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001482551700 963697645 /nfs/dbraw/zinc/69/76/45/963697645.db2.gz UYWOEXHXQGYQNV-ZDUSSCGKSA-N 1 0 240.391 2.482 20 30 BEEDRO C[C@H]1C[C@H]([NH+]2CCC(C)(C#N)CC2)CCO1 ZINC001168137138 963836073 /nfs/dbraw/zinc/83/60/73/963836073.db2.gz NHHBINKPTWIIAE-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCCCCCCN1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001204820008 963859296 /nfs/dbraw/zinc/85/92/96/963859296.db2.gz MLMBVUUQCMHCNQ-OLZOCXBDSA-N 1 0 228.355 2.494 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)c1cc[nH]c1 ZINC001158587273 963891503 /nfs/dbraw/zinc/89/15/03/963891503.db2.gz SQCYJAOHIUIJBL-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@H]1CCC[C@H]1C ZINC001158611148 963893544 /nfs/dbraw/zinc/89/35/44/963893544.db2.gz QASORRWSCSIQLJ-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(C[NH+](C)C)ccn1 ZINC001158742921 963912846 /nfs/dbraw/zinc/91/28/46/963912846.db2.gz NTXLPLITVBLLNF-CQSZACIVSA-N 1 0 231.343 2.357 20 30 BEEDRO C#C[C@](C)(CC)Nc1ncc(C)cc1C[NH3+] ZINC001158743604 963914405 /nfs/dbraw/zinc/91/44/05/963914405.db2.gz XZOZYPVRDVKXOB-CYBMUJFWSA-N 1 0 217.316 2.063 20 30 BEEDRO C=CCC(CC=C)C(=O)NCCC[NH2+]CCC ZINC001158769278 963922721 /nfs/dbraw/zinc/92/27/21/963922721.db2.gz OJLFCGMZLKHSBE-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C#CCCC[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168228782 964010883 /nfs/dbraw/zinc/01/08/83/964010883.db2.gz JYEZYFMDSQLPOH-AWEZNQCLSA-N 1 0 229.323 2.165 20 30 BEEDRO C=CCCCNc1ccc2c(n1)CC[NH2+]C2 ZINC001159258065 964035627 /nfs/dbraw/zinc/03/56/27/964035627.db2.gz LWJJUCZRRYVJPV-UHFFFAOYSA-N 1 0 217.316 2.105 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)CC#N)C2 ZINC001168244863 964048645 /nfs/dbraw/zinc/04/86/45/964048645.db2.gz SZRATDMITHUJEK-GWCFXTLKSA-N 1 0 230.311 2.054 20 30 BEEDRO C=CCOCc1cccc(-n2cc(C[NH3+])cn2)c1 ZINC001168259453 964074141 /nfs/dbraw/zinc/07/41/41/964074141.db2.gz PLTBOCIAHWWYAI-UHFFFAOYSA-N 1 0 243.310 2.034 20 30 BEEDRO Cc1cccc(NC2=CCC[NH2+]C2)c1C#N ZINC001159489968 964113151 /nfs/dbraw/zinc/11/31/51/964113151.db2.gz HVHCJKRMXKNVLI-UHFFFAOYSA-N 1 0 213.284 2.156 20 30 BEEDRO C#Cc1cc(NC2=C[NH2+]CCC2)ccc1F ZINC001159583926 964125819 /nfs/dbraw/zinc/12/58/19/964125819.db2.gz FOVBDAIYSGKNFW-UHFFFAOYSA-N 1 0 216.259 2.444 20 30 BEEDRO C=C/C(C)=C/CC(=O)N[C@H](C)CC[NH2+]CC#CC ZINC001482863183 964221307 /nfs/dbraw/zinc/22/13/07/964221307.db2.gz HBJRLPZTDCYNND-MAUPQMMJSA-N 1 0 248.370 2.017 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001482869676 964226095 /nfs/dbraw/zinc/22/60/95/964226095.db2.gz FDWRKKNCBDDHNT-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H](C)CC ZINC001482910742 964236038 /nfs/dbraw/zinc/23/60/38/964236038.db2.gz GXWIVVIAKVGWHA-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCCCCCCN1CC([NH2+]C)C1 ZINC001204707092 964246343 /nfs/dbraw/zinc/24/63/43/964246343.db2.gz UIVVLWWFAQVLDD-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO Cc1cc(C#N)c(NC[C@@H]2CCCC[NH2+]2)nc1C ZINC001160146022 964257958 /nfs/dbraw/zinc/25/79/58/964257958.db2.gz YHVWCQLNMSWRNH-ZDUSSCGKSA-N 1 0 244.342 2.124 20 30 BEEDRO C=CCCC(=O)NC/C=C/C[NH2+]CC1CCC1 ZINC001482989560 964292111 /nfs/dbraw/zinc/29/21/11/964292111.db2.gz ZASSTTLEPMGMSO-SNAWJCMRSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@](C)([NH3+])CC(C)C ZINC001160689636 964386127 /nfs/dbraw/zinc/38/61/27/964386127.db2.gz QDACCQLHZZIQHF-CYBMUJFWSA-N 1 0 226.364 2.175 20 30 BEEDRO CC(C)[C@@](C)(C#N)NC1CCC([NH+](C)C)CC1 ZINC001168298052 964392423 /nfs/dbraw/zinc/39/24/23/964392423.db2.gz ZJTYIUOKWBBDFM-JXQTWKCFSA-N 1 0 237.391 2.387 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000697660513 964436615 /nfs/dbraw/zinc/43/66/15/964436615.db2.gz LIPAGLWDXOZMIF-NXEZZACHSA-N 1 0 232.274 2.035 20 30 BEEDRO N#Cc1cccnc1Nc1cccc(CC[NH3+])c1 ZINC001161078584 964514774 /nfs/dbraw/zinc/51/47/74/964514774.db2.gz QFKVKWBRQNNXSE-UHFFFAOYSA-N 1 0 238.294 2.198 20 30 BEEDRO C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CC12CC2 ZINC001483064135 964517663 /nfs/dbraw/zinc/51/76/63/964517663.db2.gz HGTPUEXLILZGFM-URWSZGRFSA-N 1 0 248.370 2.015 20 30 BEEDRO C=C(C)CCCO[C@@H]1C[NH+]2CCC1CC2 ZINC001224279041 964522041 /nfs/dbraw/zinc/52/20/41/964522041.db2.gz LOJSULXYYFFXAP-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)/C(C)=C/C ZINC001483117734 964636192 /nfs/dbraw/zinc/63/61/92/964636192.db2.gz DAGVEQGMQHXJTR-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO Cc1cc(CC#N)ccc1NCC[NH+](C)C ZINC001161670860 964678218 /nfs/dbraw/zinc/67/82/18/964678218.db2.gz BTGIJIOOQYUAPX-UHFFFAOYSA-N 1 0 217.316 2.035 20 30 BEEDRO N#C[C@@H](Nc1cccc(C[NH3+])n1)c1ccccc1 ZINC001161720554 964713361 /nfs/dbraw/zinc/71/33/61/964713361.db2.gz CYTLXFXSHOIBRN-CYBMUJFWSA-N 1 0 238.294 2.217 20 30 BEEDRO Cc1cnc(NCCCC[NH+](C)C)cc1C#N ZINC001161728108 964716548 /nfs/dbraw/zinc/71/65/48/964716548.db2.gz BQALEQJYKZITFP-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO C#CCN1CC[NH+](C2CCC(CC)CC2)CC1 ZINC001256874549 1169846094 /nfs/dbraw/zinc/84/60/94/1169846094.db2.gz GDJLVBMVLBXZFD-UHFFFAOYSA-N 1 0 234.387 2.206 20 30 BEEDRO CC(C)CN1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256960427 1169848645 /nfs/dbraw/zinc/84/86/45/1169848645.db2.gz YWSYJWCOKLKSJU-NRXISQOPSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001483132561 964749725 /nfs/dbraw/zinc/74/97/25/964749725.db2.gz SLMPTRVCPHXTLV-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO N#CC1CCC(Nc2cccnc2C[NH3+])CC1 ZINC001256959510 1169849066 /nfs/dbraw/zinc/84/90/66/1169849066.db2.gz ICWPQZDQWVTCOF-UHFFFAOYSA-N 1 0 230.315 2.035 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CCC(F)(F)F ZINC001161824161 964773820 /nfs/dbraw/zinc/77/38/20/964773820.db2.gz IKGDLEBIBCPHME-UHFFFAOYSA-N 1 0 209.287 2.367 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001483158069 964792980 /nfs/dbraw/zinc/79/29/80/964792980.db2.gz HEJUNHNOQBAYNT-CHWSQXEVSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)/C(C)=C\CC ZINC001483212490 964836265 /nfs/dbraw/zinc/83/62/65/964836265.db2.gz UWWSRQYNRLNRMO-RDQDRAATSA-N 1 0 224.348 2.013 20 30 BEEDRO Cc1cnc(NC2(C#N)CC[NH+](C)CC2)c(C)c1 ZINC001162227438 964883910 /nfs/dbraw/zinc/88/39/10/964883910.db2.gz TURUDRYFIBVXBV-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO Cc1cnc(NC2(C#N)CC[NH+](C)CC2)cc1C ZINC001162230636 964887385 /nfs/dbraw/zinc/88/73/85/964887385.db2.gz BLZKDDXBTKFBFN-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO N#CC1(Nc2cccc3c2C[NH2+]CC3)CCC1 ZINC001162312987 964926119 /nfs/dbraw/zinc/92/61/19/964926119.db2.gz MLNKUGCWMIMBIU-UHFFFAOYSA-N 1 0 227.311 2.190 20 30 BEEDRO C#C[C@@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224773145 964936196 /nfs/dbraw/zinc/93/61/96/964936196.db2.gz FDBGFTDKNWIWCF-CQSZACIVSA-N 1 0 218.320 2.084 20 30 BEEDRO C[C@@]1(O)CC[C@@H]([NH2+]C#C[Si](C)(C)C)CC1 ZINC001162359616 964941160 /nfs/dbraw/zinc/94/11/60/964941160.db2.gz BXQHHAMIMHJWFP-HAQNSBGRSA-N 1 0 225.408 2.108 20 30 BEEDRO N#CC1(CNc2[nH+]ccc3c2CCN3)CCC1 ZINC001162407006 964966898 /nfs/dbraw/zinc/96/68/98/964966898.db2.gz TZKPDGRZIALECS-UHFFFAOYSA-N 1 0 228.299 2.155 20 30 BEEDRO C[NH+](C)Cc1cccc(NCC2(C#N)CCC2)n1 ZINC001162413497 964970812 /nfs/dbraw/zinc/97/08/12/964970812.db2.gz ULOJLLHQQBRVBH-UHFFFAOYSA-N 1 0 244.342 2.249 20 30 BEEDRO C#CCCCNc1ccc2c(c1)C[NH2+]C2 ZINC001162445845 964977639 /nfs/dbraw/zinc/97/76/39/964977639.db2.gz QFIMLABDIFAVRV-UHFFFAOYSA-N 1 0 200.285 2.115 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC1(C)CC1 ZINC001483364163 964991879 /nfs/dbraw/zinc/99/18/79/964991879.db2.gz OLDUIILSQKNRKY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C[N@H+](C)CC(=C)C ZINC001483379529 964996758 /nfs/dbraw/zinc/99/67/58/964996758.db2.gz XBBODMUPPLWENZ-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCC#CC1CC1 ZINC001224849652 965028918 /nfs/dbraw/zinc/02/89/18/965028918.db2.gz GNTGXTNAQFPBDK-FICVDOATSA-N 1 0 233.355 2.147 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)/C(C)=C/CC)C1CC1 ZINC001483550013 965033386 /nfs/dbraw/zinc/03/33/86/965033386.db2.gz PZTMFNRUQGERJJ-VKUYVZBCSA-N 1 0 236.359 2.013 20 30 BEEDRO Cc1cccc(NC[C@H]2C[NH2+][C@H](C)C2)c1C#N ZINC001162556587 965047094 /nfs/dbraw/zinc/04/70/94/965047094.db2.gz MBDUPZJBXPDDOM-VXGBXAGGSA-N 1 0 229.327 2.277 20 30 BEEDRO C#C[C@H]1CCC[C@@H]1OCC[NH+](CC)CC ZINC001224928871 965103740 /nfs/dbraw/zinc/10/37/40/965103740.db2.gz XHZXOMNRHYLUID-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO Cc1cc(C#N)cc(N2CCc3c[nH+]ccc32)n1 ZINC001162637584 965078279 /nfs/dbraw/zinc/07/82/79/965078279.db2.gz JEPPEZWIKIJRDF-UHFFFAOYSA-N 1 0 236.278 2.351 20 30 BEEDRO C[NH+](C)[C@H]1CC[C@H](OCC2(C#N)CC2)CC1 ZINC001224949016 965149183 /nfs/dbraw/zinc/14/91/83/965149183.db2.gz WKMNJZRXBATNPP-HAQNSBGRSA-N 1 0 222.332 2.180 20 30 BEEDRO CC#Cc1cncc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162987606 965220240 /nfs/dbraw/zinc/22/02/40/965220240.db2.gz JTPUVWHUMQIPDP-LSDHHAIUSA-N 1 0 241.338 2.150 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000696074081 965233169 /nfs/dbraw/zinc/23/31/69/965233169.db2.gz XKENXYIHNKEIQV-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO CC[NH+](CC)Cc1cc(NCC#N)ccc1OC ZINC001163187633 965292684 /nfs/dbraw/zinc/29/26/84/965292684.db2.gz PXRAJQDZYYLIGK-UHFFFAOYSA-N 1 0 247.342 2.472 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[N@H+]1CCCCC ZINC001483637536 965334759 /nfs/dbraw/zinc/33/47/59/965334759.db2.gz YEDOYPRUKUPVCN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CNc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001163374326 965378162 /nfs/dbraw/zinc/37/81/62/965378162.db2.gz QLEURHDXZQCPOQ-LBPRGKRZSA-N 1 0 217.316 2.494 20 30 BEEDRO C=C(C)CNc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001163378517 965384539 /nfs/dbraw/zinc/38/45/39/965384539.db2.gz LHMMIXBXOWVAJS-UHFFFAOYSA-N 1 0 245.370 2.426 20 30 BEEDRO C=C(C)CNc1ccc2c(c1)COC21C[NH2+]C1 ZINC001163382034 965388597 /nfs/dbraw/zinc/38/85/97/965388597.db2.gz QRDBAISIKXORNI-UHFFFAOYSA-N 1 0 230.311 2.003 20 30 BEEDRO Cc1c(N)cc[nH+]c1NC1=CC(=O)CCC1 ZINC001163452041 965407402 /nfs/dbraw/zinc/40/74/02/965407402.db2.gz QIDGYRLSNCGNOR-UHFFFAOYSA-N 1 0 217.272 2.021 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(C#N)c1 ZINC001232962369 965445317 /nfs/dbraw/zinc/44/53/17/965445317.db2.gz MRSKUQYFHIQEAN-HNNXBMFYSA-N 1 0 244.338 2.071 20 30 BEEDRO C[NH+](C)Cc1ccc(NCCCCC#N)nc1 ZINC001168426643 965447095 /nfs/dbraw/zinc/44/70/95/965447095.db2.gz BMMFCRKHJWPQNY-UHFFFAOYSA-N 1 0 232.331 2.249 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1[nH]ccc1C#N ZINC001233046303 965458888 /nfs/dbraw/zinc/45/88/88/965458888.db2.gz RURUKBWQSSEYKY-UHFFFAOYSA-N 1 0 203.289 2.261 20 30 BEEDRO N#CCCCCNc1ccc2c(c1)C[NH2+]C2 ZINC001168431067 965478332 /nfs/dbraw/zinc/47/83/32/965478332.db2.gz ROYFOPUMEGOEMN-UHFFFAOYSA-N 1 0 215.300 2.396 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC(F)CC2)c([O-])c1 ZINC001233383456 965499021 /nfs/dbraw/zinc/49/90/21/965499021.db2.gz IZJKNSHUDFVCEY-UHFFFAOYSA-N 1 0 234.274 2.198 20 30 BEEDRO C=CCc1cc(C)cnc1N[C@@H](C)C[NH+](C)C ZINC001163773241 965576267 /nfs/dbraw/zinc/57/62/67/965576267.db2.gz SCUPVJXHURQEHS-LBPRGKRZSA-N 1 0 233.359 2.481 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCO1 ZINC000829180611 965581119 /nfs/dbraw/zinc/58/11/19/965581119.db2.gz VZHDXYFBZJIKRV-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCC[NH2+]C(C)C ZINC001163866109 965610230 /nfs/dbraw/zinc/61/02/30/965610230.db2.gz OEHFUQRUMAQYBK-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]C[C@H](F)CC ZINC001163953424 965659690 /nfs/dbraw/zinc/65/96/90/965659690.db2.gz QYTJPGBCSOUAAV-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(C)(C)C(C)(C)C ZINC001163977658 965668792 /nfs/dbraw/zinc/66/87/92/965668792.db2.gz OEZKPVXKEHUDSG-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)c1ccc(-n2nc(C[NH3+])cc2C)nc1 ZINC001163982147 965672939 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966691103 /nfs/dbraw/zinc/69/11/03/966691103.db2.gz RBXCRFNHEQRWIL-BCMYLCSRSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC)c(C)c1C ZINC001203724116 966752289 /nfs/dbraw/zinc/75/22/89/966752289.db2.gz AZVCFZBWBHZAQZ-UHFFFAOYSA-N 1 0 217.312 2.377 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCC[C@H]1O ZINC001203900003 966815714 /nfs/dbraw/zinc/81/57/14/966815714.db2.gz LUWGUDRNOPFAPZ-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO N#C[C@H]1CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001204006836 966845970 /nfs/dbraw/zinc/84/59/70/966845970.db2.gz CMIFLQXBVXXKKE-NSHDSACASA-N 1 0 203.289 2.140 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](Cc2ccc[nH]2)C1 ZINC001204010603 966848811 /nfs/dbraw/zinc/84/88/11/966848811.db2.gz RGRGSIANFOUASB-LLVKDONJSA-N 1 0 203.289 2.140 20 30 BEEDRO CCCCCCCOC(=O)N1CC(C)([NH3+])C1 ZINC001239326763 966855500 /nfs/dbraw/zinc/85/55/00/966855500.db2.gz MXYZKYLIUFESIF-UHFFFAOYSA-N 1 0 228.336 2.126 20 30 BEEDRO CCCCCCCOC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC001239327698 966856828 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/nfs/dbraw/zinc/90/44/24/1169904424.db2.gz JXYNIWPSTREGMR-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C[N@H+]1CC=C(Cc2cccc(C#N)c2)CC1 ZINC001250049211 967309452 /nfs/dbraw/zinc/30/94/52/967309452.db2.gz TZDCJFHPBFQYIP-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO Cc1ccc(CN2[C@@H](C)CC[C@H]2C[NH3+])cc1C#N ZINC001205068364 967328623 /nfs/dbraw/zinc/32/86/23/967328623.db2.gz HRTMWZRPTSSSRW-WFASDCNBSA-N 1 0 243.354 2.178 20 30 BEEDRO N#CCCCCc1cnn(CC[NH+]2CCCC2)c1 ZINC001250065011 967330202 /nfs/dbraw/zinc/33/02/02/967330202.db2.gz DLSKDTSGGMKLPI-UHFFFAOYSA-N 1 0 246.358 2.215 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)CCCC)[C@@H]1C ZINC001486073044 967345930 /nfs/dbraw/zinc/34/59/30/967345930.db2.gz UNGJRKFECCKUNU-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO CC#CCC[NH2+][C@H](C)CCc1cccnc1 ZINC001205137406 967381437 /nfs/dbraw/zinc/38/14/37/967381437.db2.gz YCPAPNSDUMIZAE-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO C=CC[NH2+]CCN1CCc2ccc(C)cc2C1 ZINC001205164952 967407342 /nfs/dbraw/zinc/40/73/42/967407342.db2.gz XTWOYTDIYUAZNN-UHFFFAOYSA-N 1 0 230.355 2.129 20 30 BEEDRO N#CCc1ccncc1-c1ccc2nccn2c1 ZINC001240218953 967427012 /nfs/dbraw/zinc/42/70/12/967427012.db2.gz RAMRWRIBTDWFML-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO C[C@]1([NH2+]Cc2csc(C#N)c2)CCCOC1 ZINC000921961705 967436608 /nfs/dbraw/zinc/43/66/08/967436608.db2.gz REQAAXVBJAIGLW-LBPRGKRZSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CCC1CC1 ZINC001128246043 967441144 /nfs/dbraw/zinc/44/11/44/967441144.db2.gz ORUNJSCMTIMKNT-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]C[C@H](F)CC ZINC001128246020 967441432 /nfs/dbraw/zinc/44/14/32/967441432.db2.gz OHUDYTDSXCKFCC-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C[C@@]1([NH3+])CCCN(Cc2ccccc2C#N)CC1 ZINC001205263887 967456721 /nfs/dbraw/zinc/45/67/21/967456721.db2.gz DVAODVNCHGFRRV-OAHLLOKOSA-N 1 0 243.354 2.262 20 30 BEEDRO C=CC[C@@H](C)Oc1ccccc1N1CC[NH2+]CC1 ZINC000715748276 967516962 /nfs/dbraw/zinc/51/69/62/967516962.db2.gz JHDIQPNIEKGUEN-CYBMUJFWSA-N 1 0 246.354 2.440 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CCCCC ZINC001128414001 967549059 /nfs/dbraw/zinc/54/90/59/967549059.db2.gz RRMJKRRSVUFIHC-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cncn1CCC ZINC001205417755 967617328 /nfs/dbraw/zinc/61/73/28/967617328.db2.gz KPQGFCQZIJEFTQ-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO CCn1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001205545068 967677322 /nfs/dbraw/zinc/67/73/22/967677322.db2.gz QIMRNCBZJZPMJP-GFCCVEGCSA-N 1 0 232.331 2.029 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C[C@@H](C)CC)CCC1 ZINC001273068329 967697356 /nfs/dbraw/zinc/69/73/56/967697356.db2.gz IGHJDYSKDOKPOB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO N#Cc1ccc(Nc2ccc3c[nH+]cn3c2)cn1 ZINC001250326957 967711589 /nfs/dbraw/zinc/71/15/89/967711589.db2.gz DESWWODFAXCZOW-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCCCC#N ZINC001205647526 967745350 /nfs/dbraw/zinc/74/53/50/967745350.db2.gz DYTQQGBDOQTYEI-CLLJXQQHSA-N 1 0 222.332 2.037 20 30 BEEDRO Cc1cccnc1C[NH+]1CCC(S)CC1 ZINC001205800174 967827243 /nfs/dbraw/zinc/82/72/43/967827243.db2.gz MCBNREWETZGMJS-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO N#CC1(CNc2cccc(C[NH3+])c2)CCC1 ZINC001162413086 967830917 /nfs/dbraw/zinc/83/09/17/967830917.db2.gz GNTUKCWNGLIZMP-UHFFFAOYSA-N 1 0 215.300 2.251 20 30 BEEDRO C#CCCCNc1cccc2c1CC[C@@H]2[NH3+] ZINC001162446303 967837131 /nfs/dbraw/zinc/83/71/31/967837131.db2.gz BBGAOVFERWIMSD-ZDUSSCGKSA-N 1 0 214.312 2.458 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)c1ccc(C)cc1 ZINC001273140998 967880994 /nfs/dbraw/zinc/88/09/94/967880994.db2.gz QSCXQHWOCKMRIF-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(Cl)cn1 ZINC000703885095 967881769 /nfs/dbraw/zinc/88/17/69/967881769.db2.gz CPCBXYGDMOVBHZ-SNVBAGLBSA-N 1 0 208.692 2.236 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccc(C#N)cn2)c1F ZINC001250462057 967885733 /nfs/dbraw/zinc/88/57/33/967885733.db2.gz IPHGTQTXUGIRGZ-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO N#Cc1cccnc1N[C@H](C[NH3+])c1ccccc1 ZINC001163292712 968017671 /nfs/dbraw/zinc/01/76/71/968017671.db2.gz WEQFBVXUUUHYKE-CYBMUJFWSA-N 1 0 238.294 2.065 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1ccc2c(C#N)c[nH]c2c1 ZINC001163777667 968111752 /nfs/dbraw/zinc/11/17/52/968111752.db2.gz YCUDYYUSUHEPTP-SNVBAGLBSA-N 1 0 242.326 2.402 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cn(C)cn1 ZINC001206242316 968164584 /nfs/dbraw/zinc/16/45/84/968164584.db2.gz NATYVDYBKWJVAT-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C1(CC)CCC1 ZINC001493664125 968168807 /nfs/dbraw/zinc/16/88/07/968168807.db2.gz MYEDYFRUZIETQN-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@@H](C)[C@H](C)C(=O)NCCC[NH2+]CC(C)C ZINC001164234362 968195229 /nfs/dbraw/zinc/19/52/29/968195229.db2.gz WDKLRAJTFDMFGH-OLZOCXBDSA-N 1 0 240.391 2.197 20 30 BEEDRO C[C@@H](CC(C)(C)S)OCCC[NH+](C)C ZINC001206302579 968208701 /nfs/dbraw/zinc/20/87/01/968208701.db2.gz MULNEORMOKHSGI-JTQLQIEISA-N 1 0 219.394 2.442 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cnc(OC)nc1 ZINC001206424936 968298226 /nfs/dbraw/zinc/29/82/26/968298226.db2.gz BTTPOKGNHHAOOH-UHFFFAOYSA-N 1 0 235.331 2.273 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccncc1OC ZINC001206480474 968335922 /nfs/dbraw/zinc/33/59/22/968335922.db2.gz YJRDFOGOYIZOFM-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO CC[C@@H](O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001251803340 968340945 /nfs/dbraw/zinc/34/09/45/968340945.db2.gz PVTXUSTVTCTMKA-CYBMUJFWSA-N 1 0 232.327 2.154 20 30 BEEDRO CCN(CCC#N)c1[nH+]ccc2c1ccn2C ZINC001166591382 968340992 /nfs/dbraw/zinc/34/09/92/968340992.db2.gz CIBOGKVHOKPMPJ-UHFFFAOYSA-N 1 0 228.299 2.313 20 30 BEEDRO C=CC(C)(C)CC(=O)NCc1ccccc1C[NH3+] ZINC001119352640 968349249 /nfs/dbraw/zinc/34/92/49/968349249.db2.gz OLBVNVHVDHPEDD-UHFFFAOYSA-N 1 0 246.354 2.364 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001084168942 968360394 /nfs/dbraw/zinc/36/03/94/968360394.db2.gz UWCBQHGRLORVHD-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO N#Cc1cn(-c2cc[nH+]c(N)c2)c2cc(N)ccc12 ZINC001206567771 968387695 /nfs/dbraw/zinc/38/76/95/968387695.db2.gz FDNQILPJVFPBEY-UHFFFAOYSA-N 1 0 249.277 2.062 20 30 BEEDRO COc1cccc(Nc2cc[nH+]c(N)c2)c1C#N ZINC001206568134 968387820 /nfs/dbraw/zinc/38/78/20/968387820.db2.gz JDKYYYDVDAMYEI-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO N#Cc1ccc(Nc2cc[nH+]c(N)c2)c(C#N)c1 ZINC001206583850 968400794 /nfs/dbraw/zinc/40/07/94/968400794.db2.gz BZWZZXPZPZQVCK-UHFFFAOYSA-N 1 0 235.250 2.151 20 30 BEEDRO Cc1cccc2c1[nH+]c(N)n2-c1ccnc(C#N)c1 ZINC001206590673 968406163 /nfs/dbraw/zinc/40/61/63/968406163.db2.gz VMOFDMBBHQOAGP-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO N#Cc1cc(Nc2cc[nH+]c3c2CCC3)ccn1 ZINC001206594075 968407222 /nfs/dbraw/zinc/40/72/22/968407222.db2.gz HXNDNRZLYCFMPK-UHFFFAOYSA-N 1 0 236.278 2.002 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@@H](C[NH3+])C1 ZINC001206606226 968413808 /nfs/dbraw/zinc/41/38/08/968413808.db2.gz HICFENGDFIRBBT-ZDUSSCGKSA-N 1 0 210.365 2.404 20 30 BEEDRO Cc1cccc2[nH+]cc(Nc3ccnc(C#N)c3)n21 ZINC001206607481 968413582 /nfs/dbraw/zinc/41/35/82/968413582.db2.gz UNAKJUDTXAFLOQ-UHFFFAOYSA-N 1 0 249.277 2.075 20 30 BEEDRO COc1cccnc1C[NH+]1CCC(CC#N)CC1 ZINC001206643829 968427998 /nfs/dbraw/zinc/42/79/98/968427998.db2.gz AKDLCNJGQCMFSI-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)CC1 ZINC001251991580 968428975 /nfs/dbraw/zinc/42/89/75/968428975.db2.gz XJEOVXGNRWYWLK-DZGCQCFKSA-N 1 0 244.338 2.346 20 30 BEEDRO C#CC[N@@H+](CCC(=O)C(C)(C)C)CC1CC1 ZINC001320735728 1169919310 /nfs/dbraw/zinc/91/93/10/1169919310.db2.gz WZUNTYGVCYBUQV-UHFFFAOYSA-N 1 0 221.344 2.337 20 30 BEEDRO N#C[C@@H]1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC001206700864 968436462 /nfs/dbraw/zinc/43/64/62/968436462.db2.gz IFTHYDAFVGALGS-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCN(C(=O)CCC)C1 ZINC001207062618 968591605 /nfs/dbraw/zinc/59/16/05/968591605.db2.gz DIJGPWFYFROZQG-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CCCO ZINC001252120378 968598960 /nfs/dbraw/zinc/59/89/60/968598960.db2.gz UXEGGSKBUXOBSC-CYBMUJFWSA-N 1 0 231.380 2.070 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC001278645414 968602390 /nfs/dbraw/zinc/60/23/90/968602390.db2.gz QSKFJMBCYAGGMQ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@@H](O)C1 ZINC001252135236 968610323 /nfs/dbraw/zinc/61/03/23/968610323.db2.gz BBLHBSRRVYXOJA-MCIONIFRSA-N 1 0 243.391 2.211 20 30 BEEDRO Cc1cnc(CN2[C@@H]3CC[C@H]2C[C@H](C#N)C3)cn1 ZINC001207079671 968614753 /nfs/dbraw/zinc/61/47/53/968614753.db2.gz YZYMKBKATSLAGE-DEZZGGKRSA-N 1 0 242.326 2.052 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@@](C)(CF)C2)cc1C#N ZINC001207102810 968629216 /nfs/dbraw/zinc/62/92/16/968629216.db2.gz HJOCBLQERHWRQN-ZDUSSCGKSA-N 1 0 235.306 2.078 20 30 BEEDRO CC1CC([N@H+](C)Cc2cc(C#N)n(C)c2)C1 ZINC001207103231 968629369 /nfs/dbraw/zinc/62/93/69/968629369.db2.gz PTVPHCRFJUZYQG-UHFFFAOYSA-N 1 0 217.316 2.127 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](C)CC ZINC001154783009 968665767 /nfs/dbraw/zinc/66/57/67/968665767.db2.gz ZXPRSDQTBCNHHC-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001207159522 968667203 /nfs/dbraw/zinc/66/72/03/968667203.db2.gz QVCIYTCHCVYTRM-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO CC1(C)C[C@H](C[NH+]2CC(CC#N)C2)CCO1 ZINC001207353212 968731979 /nfs/dbraw/zinc/73/19/79/968731979.db2.gz MKQWBUYJEYDPHQ-LLVKDONJSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC001252487921 968747875 /nfs/dbraw/zinc/74/78/75/968747875.db2.gz BTXKSHBJURQGCZ-KBPBESRZSA-N 1 0 249.354 2.209 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+]C(C)(C)CCCCC ZINC001252487481 968748003 /nfs/dbraw/zinc/74/80/03/968748003.db2.gz UHVQPQMCKIITKK-CYBMUJFWSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H](O)COCCCC ZINC001252516720 968758288 /nfs/dbraw/zinc/75/82/88/968758288.db2.gz QQMJZWQQOHFHFN-AWEZNQCLSA-N 1 0 243.391 2.452 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)c1ccoc1 ZINC001085484467 968761841 /nfs/dbraw/zinc/76/18/41/968761841.db2.gz DPCAZUXVTGICAF-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCc1ccccc1 ZINC001252538839 968771320 /nfs/dbraw/zinc/77/13/20/968771320.db2.gz MSNDBBHOZWGYGB-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO O/N=C/c1cccc(C=C2CC[NH2+]CC2)c1 ZINC001240877258 968784577 /nfs/dbraw/zinc/78/45/77/968784577.db2.gz QZZZXXDMTHPHBD-XNTDXEJSSA-N 1 0 216.284 2.262 20 30 BEEDRO N#CCOc1ccccc1C=C1CC[NH2+]CC1 ZINC001240877237 968787027 /nfs/dbraw/zinc/78/70/27/968787027.db2.gz QCTOGCGEADNFER-UHFFFAOYSA-N 1 0 228.295 2.356 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C1=CCCC1 ZINC001085541814 968790070 /nfs/dbraw/zinc/79/00/70/968790070.db2.gz IMOGTCUUOWQKAH-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1ccccc1F ZINC001252554395 968791757 /nfs/dbraw/zinc/79/17/57/968791757.db2.gz FYIPCQLAPWJMNE-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC001252554803 968795273 /nfs/dbraw/zinc/79/52/73/968795273.db2.gz LWXIQVFOGUQGSP-HOTGVXAUSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCc2cc(F)ccc2C1 ZINC001252559020 968804240 /nfs/dbraw/zinc/80/42/40/968804240.db2.gz QMHBVKDJOMVMNE-CQSZACIVSA-N 1 0 235.302 2.121 20 30 BEEDRO C=CCN1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC001207512567 968809609 /nfs/dbraw/zinc/80/96/09/968809609.db2.gz BGUYMAGHKDCOMH-UHFFFAOYSA-N 1 0 248.345 2.172 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@H]1CCCC[C@@H]1C ZINC001252569276 968817840 /nfs/dbraw/zinc/81/78/40/968817840.db2.gz RAZMOGZHLARPBU-XQQFMLRXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCN1CC[NH+](CCc2cccc(C)c2)CC1 ZINC001207538358 968818003 /nfs/dbraw/zinc/81/80/03/968818003.db2.gz FAIPLNCYIBITGS-UHFFFAOYSA-N 1 0 244.382 2.341 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1cccc(Cl)c1 ZINC001252570824 968819625 /nfs/dbraw/zinc/81/96/25/968819625.db2.gz BVCJABXHXPSASG-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179018 968820318 /nfs/dbraw/zinc/82/03/18/968820318.db2.gz JYUIGYKQAPSAJY-WCQYABFASA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCOCC(F)F ZINC000829179748 968820883 /nfs/dbraw/zinc/82/08/83/968820883.db2.gz OMYGYISURUFCED-VIFPVBQESA-N 1 0 234.290 2.186 20 30 BEEDRO CC[C@@H](CCO)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829178841 968822094 /nfs/dbraw/zinc/82/20/94/968822094.db2.gz ILWCCGMRTRYWMA-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1cccc(OC)c1 ZINC001252572581 968822262 /nfs/dbraw/zinc/82/22/62/968822262.db2.gz SGCFSYJJCPPDGS-BXUZGUMPSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC001252572175 968823076 /nfs/dbraw/zinc/82/30/76/968823076.db2.gz NXLOPNZQUSZCOP-BXUZGUMPSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001252571837 968823567 /nfs/dbraw/zinc/82/35/67/968823567.db2.gz KMOWASMIHGDUDF-OAHLLOKOSA-N 1 0 244.338 2.320 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2ccccc2n1 ZINC001252574982 968826025 /nfs/dbraw/zinc/82/60/25/968826025.db2.gz TVJGIGSTZVPHJC-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCc1ccccc1F ZINC001252577104 968827442 /nfs/dbraw/zinc/82/74/42/968827442.db2.gz UEGGHBIJCLRQIR-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1cccnc1)C(C)C ZINC001252577009 968827451 /nfs/dbraw/zinc/82/74/51/968827451.db2.gz RTHUHWFERNWJLC-UONOGXRCSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2c1cccc2OC ZINC001252576781 968827971 /nfs/dbraw/zinc/82/79/71/968827971.db2.gz OCEDHGROQKQKOZ-HIFRSBDPSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC1CCCCCC1 ZINC001252576230 968828711 /nfs/dbraw/zinc/82/87/11/968828711.db2.gz HZUQWWLPUZNCSR-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C[C@@H](C)c1ccc(O)cc1 ZINC001252579031 968829324 /nfs/dbraw/zinc/82/93/24/968829324.db2.gz SRXPWJYGIYHHFP-BXUZGUMPSA-N 1 0 235.327 2.022 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccccc1)C(C)(C)O ZINC001252578074 968829539 /nfs/dbraw/zinc/82/95/39/968829539.db2.gz BIMYRVZFCZRJEQ-DZGCQCFKSA-N 1 0 249.354 2.025 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(F)c(C)c1F ZINC001252577503 968830159 /nfs/dbraw/zinc/83/01/59/968830159.db2.gz KDKXUSFTYJMPKH-CYBMUJFWSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(C)Cc2ccccc2C1 ZINC001252580084 968832631 /nfs/dbraw/zinc/83/26/31/968832631.db2.gz QBZZYYCYYPJZON-HNNXBMFYSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(C)Cc2ccccc2C1 ZINC001252580086 968833265 /nfs/dbraw/zinc/83/32/65/968833265.db2.gz QBZZYYCYYPJZON-OAHLLOKOSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccc(F)cc2)CC1 ZINC001252582916 968835253 /nfs/dbraw/zinc/83/52/53/968835253.db2.gz YXRVYGCWWLWIJB-ZDUSSCGKSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1c(F)cccc1F ZINC001252582856 968835299 /nfs/dbraw/zinc/83/52/99/968835299.db2.gz XUCSHQYUBVJNOC-ZDUSSCGKSA-N 1 0 241.281 2.034 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001252581380 968835322 /nfs/dbraw/zinc/83/53/22/968835322.db2.gz GVIKYYPUASPSAB-CQSZACIVSA-N 1 0 235.327 2.030 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCCCCS ZINC001252583013 968836155 /nfs/dbraw/zinc/83/61/55/968836155.db2.gz BKSGFHRFSYFTPY-NSHDSACASA-N 1 0 217.378 2.003 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)CC1CCOCC1 ZINC001252583238 968837342 /nfs/dbraw/zinc/83/73/42/968837342.db2.gz GLROGISSPJYMIZ-AWEZNQCLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC1(CC2CC2)CC1 ZINC001252583235 968837685 /nfs/dbraw/zinc/83/76/85/968837685.db2.gz GJKKRRHLQLOFGK-LBPRGKRZSA-N 1 0 209.333 2.093 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2ccccc2F)CC1 ZINC001252583435 968838798 /nfs/dbraw/zinc/83/87/98/968838798.db2.gz KRKYEDSUPMBJCM-CQSZACIVSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C[C@@H](C)c1cccc(OC)c1 ZINC001252584510 968838862 /nfs/dbraw/zinc/83/88/62/968838862.db2.gz AWFAIERHGNZQIQ-IUODEOHRSA-N 1 0 249.354 2.325 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001252585384 968839703 /nfs/dbraw/zinc/83/97/03/968839703.db2.gz MZUZSMOEYQVZNM-GXTWGEPZSA-N 1 0 249.379 2.230 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cncc2ccccc21 ZINC001252585562 968839788 /nfs/dbraw/zinc/83/97/88/968839788.db2.gz QNPDYEBFNWFAQE-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1CCCCC1 ZINC001252585872 968840620 /nfs/dbraw/zinc/84/06/20/968840620.db2.gz AILDKOYMRVKTGZ-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccccc1OC ZINC001252586493 968840806 /nfs/dbraw/zinc/84/08/06/968840806.db2.gz IZRUFXSAXZRPCU-CQSZACIVSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc(C)c1 ZINC001252587041 968842069 /nfs/dbraw/zinc/84/20/69/968842069.db2.gz OPONNNWNOWVMKS-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1c(F)cccc1F ZINC001252587949 968842890 /nfs/dbraw/zinc/84/28/90/968842890.db2.gz YSDSYPWVWVLQTH-SNVBAGLBSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1CCC(C)CC1 ZINC001252588036 968843096 /nfs/dbraw/zinc/84/30/96/968843096.db2.gz ZUGKMSQSHRDGRY-WXRRBKDZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1cccc(F)c1 ZINC001252587075 968843167 /nfs/dbraw/zinc/84/31/67/968843167.db2.gz PCQSYPGVKKPTJT-CQSZACIVSA-N 1 0 237.318 2.285 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1nc2ccccc2o1 ZINC001252589116 968844788 /nfs/dbraw/zinc/84/47/88/968844788.db2.gz JMOPFUYKHLKMJD-NSHDSACASA-N 1 0 246.310 2.245 20 30 BEEDRO N#C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628004 968845056 /nfs/dbraw/zinc/84/50/56/968845056.db2.gz FDYYAJVCVNMVMP-DGAVXFQQSA-N 1 0 216.328 2.434 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC001252589915 968845336 /nfs/dbraw/zinc/84/53/36/968845336.db2.gz UEASSIBSZJRQNW-VHSXEESVSA-N 1 0 219.275 2.091 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C1CC(F)(F)C1 ZINC001252589940 968845689 /nfs/dbraw/zinc/84/56/89/968845689.db2.gz UQJDRRHPRNONED-SNVBAGLBSA-N 1 0 219.275 2.043 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC(F)(F)C1 ZINC001252589914 968845934 /nfs/dbraw/zinc/84/59/34/968845934.db2.gz UEASSIBSZJRQNW-UWVGGRQHSA-N 1 0 219.275 2.091 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(C)s1 ZINC001252588734 968846499 /nfs/dbraw/zinc/84/64/99/968846499.db2.gz FBGZNJNZRMTGDN-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](C)(F)[C@H](F)C1 ZINC001252593015 968849968 /nfs/dbraw/zinc/84/99/68/968849968.db2.gz BMRWITSYSLBGTH-TUAOUCFPSA-N 1 0 233.302 2.086 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CC)Cc1cccnc1 ZINC001252600120 968855392 /nfs/dbraw/zinc/85/53/92/968855392.db2.gz XGAUPQCOFJFKNE-CQSZACIVSA-N 1 0 234.343 2.231 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1CCOC ZINC001252599712 968857534 /nfs/dbraw/zinc/85/75/34/968857534.db2.gz GPMVKFQMIAWYOI-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](C)CC12CC2 ZINC001252602719 968859856 /nfs/dbraw/zinc/85/98/56/968859856.db2.gz WDFVZSGIMKGLKU-VXGBXAGGSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CCC)C1CCOCC1 ZINC001252601618 968860983 /nfs/dbraw/zinc/86/09/83/968860983.db2.gz AIRUBYFCRQADQZ-CQSZACIVSA-N 1 0 241.375 2.205 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(C)ccc1NC ZINC001207711408 968864745 /nfs/dbraw/zinc/86/47/45/968864745.db2.gz DUWJJCFQRMSHNM-UHFFFAOYSA-N 1 0 202.301 2.102 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCOc2ccccc21 ZINC001252612555 968869904 /nfs/dbraw/zinc/86/99/04/968869904.db2.gz OQJLBKQGGRATQS-TZMCWYRMSA-N 1 0 247.338 2.427 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)/C=C/C2CC2)C1 ZINC001207740763 968871310 /nfs/dbraw/zinc/87/13/10/968871310.db2.gz FLLSDPRGHWECNI-VFNNOXKTSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]([S@](C)=O)C1 ZINC001207732825 968872475 /nfs/dbraw/zinc/87/24/75/968872475.db2.gz PQWKWXKUNSAKLC-YFCNSXCBSA-N 1 0 229.389 2.230 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccsc1 ZINC001252614325 968872838 /nfs/dbraw/zinc/87/28/38/968872838.db2.gz IGZZEGHYXTWGQS-GFCCVEGCSA-N 1 0 225.357 2.207 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1COc2ccccc21 ZINC001252615701 968874162 /nfs/dbraw/zinc/87/41/62/968874162.db2.gz CZAUKRFMASCYCK-DGCLKSJQSA-N 1 0 233.311 2.037 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCOc1cccc(C)c1 ZINC001252616325 968874310 /nfs/dbraw/zinc/87/43/10/968874310.db2.gz NMKKPLVSDVTMKX-AWEZNQCLSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC001252616410 968875189 /nfs/dbraw/zinc/87/51/89/968875189.db2.gz OORYMCRHZDVTAM-KFWWJZLASA-N 1 0 231.339 2.459 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(Cl)cn1 ZINC001252615847 968875406 /nfs/dbraw/zinc/87/54/06/968875406.db2.gz HBPDHMLOMHVOCD-GFCCVEGCSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cn1 ZINC001252617745 968876736 /nfs/dbraw/zinc/87/67/36/968876736.db2.gz JMIPRYXEDFWELQ-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C)n1 ZINC001252618358 968876984 /nfs/dbraw/zinc/87/69/84/968876984.db2.gz SVCSHGCXUGHRMD-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCC(=O)c1ccccc1 ZINC001252618329 968878054 /nfs/dbraw/zinc/87/80/54/968878054.db2.gz RZUZRYXOTLMWJA-AWEZNQCLSA-N 1 0 247.338 2.176 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)/C(C)=C\C)C1 ZINC001207777393 968878704 /nfs/dbraw/zinc/87/87/04/968878704.db2.gz OXSBFMXAKAGTGO-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ncc(Cl)s1 ZINC001252619281 968879509 /nfs/dbraw/zinc/87/95/09/968879509.db2.gz KJPUBTWXLKGOMN-QMMMGPOBSA-N 1 0 246.763 2.213 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccncc1Cl ZINC001252620677 968880160 /nfs/dbraw/zinc/88/01/60/968880160.db2.gz NSCWGAGYQDFRMB-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc2ncoc2c1 ZINC001252620104 968880692 /nfs/dbraw/zinc/88/06/92/968880692.db2.gz ISUJHUUFYDJHEJ-GFCCVEGCSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001252618749 968881120 /nfs/dbraw/zinc/88/11/20/968881120.db2.gz FFTPSXCZZRVBLM-IUODEOHRSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC(=O)c1ccc(C)cc1 ZINC001252620744 968881248 /nfs/dbraw/zinc/88/12/48/968881248.db2.gz NXYAEBDDZZYNAZ-AWEZNQCLSA-N 1 0 247.338 2.094 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(COC)c1 ZINC001252620383 968881377 /nfs/dbraw/zinc/88/13/77/968881377.db2.gz UYVDBIFEKBKLNT-HNNXBMFYSA-N 1 0 249.354 2.250 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccc2ncoc21 ZINC001252621205 968883877 /nfs/dbraw/zinc/88/38/77/968883877.db2.gz YXJNBQPLGJLYDA-GFCCVEGCSA-N 1 0 246.310 2.245 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC001252621558 968883964 /nfs/dbraw/zinc/88/39/64/968883964.db2.gz DYAACXAKWZOVEO-OLZOCXBDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC001252621560 968884053 /nfs/dbraw/zinc/88/40/53/968884053.db2.gz DYAACXAKWZOVEO-STQMWFEESA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1Cc2ccc(F)cc2C1 ZINC001252623832 968885031 /nfs/dbraw/zinc/88/50/31/968885031.db2.gz RILUOFIENQBKRA-CABCVRRESA-N 1 0 249.329 2.210 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1(CC#N)CCCC1 ZINC001252624417 968886441 /nfs/dbraw/zinc/88/64/41/968886441.db2.gz FCSALTHTPDNVFR-LBPRGKRZSA-N 1 0 222.332 2.130 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)C2=CCCC2)C1 ZINC001207801368 968888137 /nfs/dbraw/zinc/88/81/37/968888137.db2.gz QMBMMYVUNJSDMU-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccc(C)o1 ZINC001207949626 968942455 /nfs/dbraw/zinc/94/24/55/968942455.db2.gz IOGDICBBDXGCDK-UHFFFAOYSA-N 1 0 215.296 2.089 20 30 BEEDRO CC1(C#N)CC[NH+](CC2(C)CCOCC2)CC1 ZINC001208076407 968977844 /nfs/dbraw/zinc/97/78/44/968977844.db2.gz HEYLYALOHZILGQ-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CCC[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001252804065 968988211 /nfs/dbraw/zinc/98/82/11/968988211.db2.gz GMBVVTLXSUFLEC-CQSZACIVSA-N 1 0 244.338 2.298 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C2=CCCC2)C1 ZINC001086338330 969037073 /nfs/dbraw/zinc/03/70/73/969037073.db2.gz JWHNCZNKHGXNMY-MQMHXKEQSA-N 1 0 248.370 2.157 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc(C#N)c(CC#N)c2)C1 ZINC001241569885 969059207 /nfs/dbraw/zinc/05/92/07/969059207.db2.gz UCLZYHZTZLNBSL-UHFFFAOYSA-N 1 0 237.306 2.343 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(F)c(C#N)c1 ZINC000051638352 969087233 /nfs/dbraw/zinc/08/72/33/969087233.db2.gz XUQKXBSGWGNNRB-LLVKDONJSA-N 1 0 249.289 2.009 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@@H](C)CCC ZINC001155875346 969112602 /nfs/dbraw/zinc/11/26/02/969112602.db2.gz HSGLTUDTELTICC-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C[NH+](C)CC1(CN2CCC[C@@H](C#N)C2)CCCC1 ZINC001208185686 969119794 /nfs/dbraw/zinc/11/97/94/969119794.db2.gz HTULKIYHQWUDGS-AWEZNQCLSA-N 1 0 249.402 2.344 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+][C@@H](C)CCO ZINC001253247409 969120397 /nfs/dbraw/zinc/12/03/97/969120397.db2.gz IXJLNSOOXJHKRT-UONOGXRCSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H](C)CO ZINC001253248812 969123047 /nfs/dbraw/zinc/12/30/47/969123047.db2.gz CERJPFDOERSNBX-ZIAGYGMSSA-N 1 0 243.391 2.092 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(C)=O ZINC001253250076 969123982 /nfs/dbraw/zinc/12/39/82/969123982.db2.gz UINORQLAOMUHSV-CYBMUJFWSA-N 1 0 227.348 2.053 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)CCOCc1ccccc1 ZINC001253286369 969130848 /nfs/dbraw/zinc/13/08/48/969130848.db2.gz JRIMPTZMABFBIY-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000166352891 969143360 /nfs/dbraw/zinc/14/33/60/969143360.db2.gz KOHAWNPAUKJRTA-ZANVPECISA-N 1 0 219.715 2.419 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C(C)(C)C ZINC001253395516 969153035 /nfs/dbraw/zinc/15/30/35/969153035.db2.gz IFPDSSXAYQWKBB-GFCCVEGCSA-N 1 0 242.407 2.022 20 30 BEEDRO CN1CCC[C@@H](C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001208607969 969162473 /nfs/dbraw/zinc/16/24/73/969162473.db2.gz DUQDUGJIOFHFMI-TUVASFSCSA-N 1 0 247.386 2.095 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC001253442210 969174650 /nfs/dbraw/zinc/17/46/50/969174650.db2.gz INIFBWXJBFRKDR-AWEZNQCLSA-N 1 0 243.354 2.290 20 30 BEEDRO N#Cc1cc(C#N)cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC001242026997 969174791 /nfs/dbraw/zinc/17/47/91/969174791.db2.gz VVZQVNBJHQAFPY-CABCVRRESA-N 1 0 235.290 2.338 20 30 BEEDRO CCCCC[C@@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001253540009 969213551 /nfs/dbraw/zinc/21/35/51/969213551.db2.gz CBINAKUCONGNRC-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCC[C@H](O)C[NH2+]CC(C)(C)S ZINC001253556581 969231345 /nfs/dbraw/zinc/23/13/45/969231345.db2.gz XGCHZFRMFUZSRP-JTQLQIEISA-N 1 0 219.394 2.226 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)c1ccccc1F)CC1CC1 ZINC001253562838 969234733 /nfs/dbraw/zinc/23/47/33/969234733.db2.gz FUTKDWWIANMIMM-OAHLLOKOSA-N 1 0 247.313 2.204 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001253578507 969250917 /nfs/dbraw/zinc/25/09/17/969250917.db2.gz CQDVLGNUKBGGSS-NEPJUHHUSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCSC[C@H]1c1ccccc1 ZINC001253578777 969252073 /nfs/dbraw/zinc/25/20/73/969252073.db2.gz ICWBLFHJJQJHRX-KGLIPLIRSA-N 1 0 249.379 2.323 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC001253578467 969252435 /nfs/dbraw/zinc/25/24/35/969252435.db2.gz BQFCNKZRUWKLPY-HUUCEWRRSA-N 1 0 231.339 2.098 20 30 BEEDRO C[N@H+]1CC=C(Nc2cccc(C#N)c2F)CC1 ZINC001208844744 969255687 /nfs/dbraw/zinc/25/56/87/969255687.db2.gz VCQFBIMCMBOXEP-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C=C)[C@@H]1CCc2ccccc21 ZINC001253580576 969258759 /nfs/dbraw/zinc/25/87/59/969258759.db2.gz YTEQCROCROPPRV-GOEBONIOSA-N 1 0 241.334 2.156 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCc1c[nH]c2ccccc12 ZINC001253583900 969261210 /nfs/dbraw/zinc/26/12/10/969261210.db2.gz BCZLMTUJZKRJTK-CYBMUJFWSA-N 1 0 244.338 2.189 20 30 BEEDRO C=C[C@H](O)C[N@H+](C)CCc1c[nH]c2ccccc12 ZINC001253583901 969264284 /nfs/dbraw/zinc/26/42/84/969264284.db2.gz BCZLMTUJZKRJTK-ZDUSSCGKSA-N 1 0 244.338 2.189 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](C[C@@H]2CCC=CO2)CC1 ZINC001208880159 969266433 /nfs/dbraw/zinc/26/64/33/969266433.db2.gz MEBPJAOAVIGCOP-OLZOCXBDSA-N 1 0 220.316 2.305 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC001253586447 969269788 /nfs/dbraw/zinc/26/97/88/969269788.db2.gz MJLNYXMOFPWZJH-ZDUSSCGKSA-N 1 0 231.339 2.327 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCSc2ccccc2C1 ZINC001253586712 969271437 /nfs/dbraw/zinc/27/14/37/969271437.db2.gz QLCUTQMFFAUOFZ-LBPRGKRZSA-N 1 0 235.352 2.141 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1ccccc1OC ZINC001253586929 969273044 /nfs/dbraw/zinc/27/30/44/969273044.db2.gz VHLKWFOGKDTIKH-TZMCWYRMSA-N 1 0 249.354 2.105 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC001253597239 969288301 /nfs/dbraw/zinc/28/83/01/969288301.db2.gz CBQLIOKTGNJSRE-AAEUAGOBSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)COc1cc(C)cc(C)c1 ZINC001253598997 969290044 /nfs/dbraw/zinc/29/00/44/969290044.db2.gz CSUSUISVYPOWRT-UONOGXRCSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001253598796 969290741 /nfs/dbraw/zinc/29/07/41/969290741.db2.gz YGFGWHVCEVEMJU-YPMHNXCESA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@@H](O)CNC(=[NH2+])C12CC3CC(CC(C3)C1)C2 ZINC001253598015 969291527 /nfs/dbraw/zinc/29/15/27/969291527.db2.gz LZQWSFHPAYKYNK-OEXLFXSVSA-N 1 0 248.370 2.317 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(Cl)s1 ZINC001253598542 969291794 /nfs/dbraw/zinc/29/17/94/969291794.db2.gz VLBQMVPPGRWIGA-SSDOTTSWSA-N 1 0 217.721 2.038 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccccc1F ZINC001253598535 969291805 /nfs/dbraw/zinc/29/18/05/969291805.db2.gz VKRZVMOANIQCJB-UWVGGRQHSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc2[nH]ccc2c1 ZINC001253600143 969293604 /nfs/dbraw/zinc/29/36/04/969293604.db2.gz YBIQPFHADUOSFE-GWCFXTLKSA-N 1 0 230.311 2.365 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc2[nH]ccc2c1 ZINC001253600144 969293628 /nfs/dbraw/zinc/29/36/28/969293628.db2.gz YBIQPFHADUOSFE-GXFFZTMASA-N 1 0 230.311 2.365 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(C(F)F)c1 ZINC001253599768 969294211 /nfs/dbraw/zinc/29/42/11/969294211.db2.gz TURXSOKEYHSTDZ-LLVKDONJSA-N 1 0 227.254 2.261 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC001253602208 969297316 /nfs/dbraw/zinc/29/73/16/969297316.db2.gz DZEJKKDBBHRCPB-HIFRSBDPSA-N 1 0 247.338 2.283 20 30 BEEDRO C#Cc1ccccc1NC1=CC[N@H+](C)CC1 ZINC001208909889 969297446 /nfs/dbraw/zinc/29/74/46/969297446.db2.gz ISUFPFCBWXQFGD-UHFFFAOYSA-N 1 0 212.296 2.299 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc2ccccc2o1 ZINC001253603360 969298481 /nfs/dbraw/zinc/29/84/81/969298481.db2.gz WETTYUMRLZGLCT-LLVKDONJSA-N 1 0 217.268 2.069 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC001253604109 969302483 /nfs/dbraw/zinc/30/24/83/969302483.db2.gz GBEJUJIMRHUWPD-RNCFNFMXSA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC001253605576 969302577 /nfs/dbraw/zinc/30/25/77/969302577.db2.gz UJRFAEGUMDXMRG-ONGXEEELSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(CC2CCC2)CC1 ZINC001253606578 969304279 /nfs/dbraw/zinc/30/42/79/969304279.db2.gz KGBYLKSSAUYHLP-LBPRGKRZSA-N 1 0 209.333 2.093 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CC1 ZINC001253606298 969306196 /nfs/dbraw/zinc/30/61/96/969306196.db2.gz FJGAFQWDGLRZOH-CQSZACIVSA-N 1 0 231.339 2.146 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1cccc(OC)c1 ZINC001253609447 969311277 /nfs/dbraw/zinc/31/12/77/969311277.db2.gz SKYAMAGUPRRCFW-TZMCWYRMSA-N 1 0 235.327 2.283 20 30 BEEDRO C=CCN(CC[N@H+](C)C(C)(C)C)C(=O)OCC ZINC001209021468 969320219 /nfs/dbraw/zinc/32/02/19/969320219.db2.gz FXRFPUNAWZBOQT-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001209183890 969376431 /nfs/dbraw/zinc/37/64/31/969376431.db2.gz QNELMRFYTMVWEX-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001209201760 969390008 /nfs/dbraw/zinc/39/00/08/969390008.db2.gz QXLRAVGTITVZFP-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001209207413 969394274 /nfs/dbraw/zinc/39/42/74/969394274.db2.gz XYLQLDRAUPQZQA-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cccnc1C ZINC001209267622 969418251 /nfs/dbraw/zinc/41/82/51/969418251.db2.gz KCECKEDOYBPACK-UHFFFAOYSA-N 1 0 202.301 2.235 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](Oc2cccnc2)C1 ZINC001209266403 969418953 /nfs/dbraw/zinc/41/89/53/969418953.db2.gz XUIWZQPBNTVQAY-HNNXBMFYSA-N 1 0 244.338 2.338 20 30 BEEDRO C#CCCC[NH+]1CCC(COCC)CC1 ZINC001209266496 969420201 /nfs/dbraw/zinc/42/02/01/969420201.db2.gz SFZPDVRDHQADMJ-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC001209270010 969423124 /nfs/dbraw/zinc/42/31/24/969423124.db2.gz TVTCQZAIEHLBHH-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO CCC[C@](C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169109536 969444403 /nfs/dbraw/zinc/44/44/03/969444403.db2.gz CUAARVHNFKDLRT-YIYPIFLZSA-N 1 0 235.375 2.284 20 30 BEEDRO CC(C)C[C@H](C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169108551 969445855 /nfs/dbraw/zinc/44/58/55/969445855.db2.gz BCVQVJILXBUJIB-SYQHCUMBSA-N 1 0 235.375 2.139 20 30 BEEDRO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C(C)C ZINC001169223713 969491435 /nfs/dbraw/zinc/49/14/35/969491435.db2.gz BKGONFHFJJYGGV-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCc1cc(C)cnc1-n1ccc([C@H](C)[NH3+])n1 ZINC001169230829 969502869 /nfs/dbraw/zinc/50/28/69/969502869.db2.gz WGNIMDCJODGNFZ-NSHDSACASA-N 1 0 242.326 2.324 20 30 BEEDRO Cc1cc(-n2ccc([C@H](C)[NH3+])n2)ccc1CC#N ZINC001169232310 969509908 /nfs/dbraw/zinc/50/99/08/969509908.db2.gz DAYAJYXQYWSWMK-NSHDSACASA-N 1 0 240.310 2.267 20 30 BEEDRO C=CCCCCCCCC[N@@H+](C)C[C@H](O)CO ZINC001209443602 969511464 /nfs/dbraw/zinc/51/14/64/969511464.db2.gz WSTUJRHJXLOVPX-AWEZNQCLSA-N 1 0 243.391 2.188 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCOc1cccc(OC)c1 ZINC001169242978 969530746 /nfs/dbraw/zinc/53/07/46/969530746.db2.gz FWHXTTBHOVLZCS-UHFFFAOYSA-N 1 0 247.338 2.418 20 30 BEEDRO CC[NH+]1CCC(N[C@](C)(C#N)CC(C)C)CC1 ZINC001169241895 969532148 /nfs/dbraw/zinc/53/21/48/969532148.db2.gz SHQJPYMUEWXERP-AWEZNQCLSA-N 1 0 237.391 2.389 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncs1 ZINC001209549985 969539445 /nfs/dbraw/zinc/53/94/45/969539445.db2.gz XJXBSXKJSDFHLU-RTCCRHLQSA-N 1 0 233.340 2.410 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@@H](C)CC ZINC001169248939 969540136 /nfs/dbraw/zinc/54/01/36/969540136.db2.gz XVKKBVWDGRQAPT-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccn2)CCS1 ZINC001169253222 969543881 /nfs/dbraw/zinc/54/38/81/969543881.db2.gz RUMMUHNRZDDEDW-LLVKDONJSA-N 1 0 247.367 2.281 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001209573818 969557721 /nfs/dbraw/zinc/55/77/21/969557721.db2.gz ANAMXARCGIDZSN-GFCCVEGCSA-N 1 0 217.316 2.449 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(C)[nH]2)C1 ZINC001209574599 969558970 /nfs/dbraw/zinc/55/89/70/969558970.db2.gz RMPZHEHWMPUKKT-LBPRGKRZSA-N 1 0 202.301 2.168 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1cc(C#N)ccc1O ZINC001209970073 969738820 /nfs/dbraw/zinc/73/88/20/969738820.db2.gz SUMPAWLLGBRQCO-UHFFFAOYSA-N 1 0 240.266 2.293 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2ccncc2)C1 ZINC001254636358 969754099 /nfs/dbraw/zinc/75/40/99/969754099.db2.gz KATSYAMXDIGPDP-UONOGXRCSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2ccncc2)C1 ZINC001254636236 969754506 /nfs/dbraw/zinc/75/45/06/969754506.db2.gz KATSYAMXDIGPDP-KBPBESRZSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccncc2F)C1 ZINC001254635785 969755143 /nfs/dbraw/zinc/75/51/43/969755143.db2.gz IBTZTVFHIYSEOU-KOLCDFICSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(c3ccccn3)CC2)C1 ZINC001254644418 969759190 /nfs/dbraw/zinc/75/91/90/969759190.db2.gz SAFZWDOSCQWMFI-STQMWFEESA-N 1 0 241.338 2.395 20 30 BEEDRO CCCc1cc(C[NH3+])nn1[C@@H]1CC[C@H](C#N)C1 ZINC001254646286 969760378 /nfs/dbraw/zinc/76/03/78/969760378.db2.gz MDQGJZYRQMOTRD-GXFFZTMASA-N 1 0 232.331 2.159 20 30 BEEDRO N#C[C@@H]1CC[C@H](NC(=[NH2+])c2cccnc2Cl)C1 ZINC001254647810 969762577 /nfs/dbraw/zinc/76/25/77/969762577.db2.gz VVXCNDFIMQEOMV-BDAKNGLRSA-N 1 0 248.717 2.342 20 30 BEEDRO CCC[N@H+](CCOC)[C@H]1CC[C@H](C#N)C1 ZINC001254652222 969763370 /nfs/dbraw/zinc/76/33/70/969763370.db2.gz BGHSQYDGAAALOF-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001254650602 969763467 /nfs/dbraw/zinc/76/34/67/969763467.db2.gz WAGALAZTNNPXJJ-ZNMIVQPWSA-N 1 0 247.386 2.143 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001254650102 969763973 /nfs/dbraw/zinc/76/39/73/969763973.db2.gz XKJNXWLFHDQIKZ-QWHCGFSZSA-N 1 0 244.342 2.075 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001254657880 969767342 /nfs/dbraw/zinc/76/73/42/969767342.db2.gz SFYUAGZWVQRJHY-JSGCOSHPSA-N 1 0 241.338 2.439 20 30 BEEDRO C[N@H+](Cc1ccncc1)[C@@H]1CC[C@H](C#N)C1 ZINC001254659561 969769300 /nfs/dbraw/zinc/76/93/00/969769300.db2.gz AXQNEWRYMLRQST-QWHCGFSZSA-N 1 0 215.300 2.206 20 30 BEEDRO C[N@H+](C1CC(F)(F)C1)[C@@H]1CC[C@H](C#N)C1 ZINC001254660485 969769873 /nfs/dbraw/zinc/76/98/73/969769873.db2.gz IRILFGPFBXVEHN-DTWKUNHWSA-N 1 0 214.259 2.408 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001254660443 969770863 /nfs/dbraw/zinc/77/08/63/969770863.db2.gz XZZFQJQWGLPAJS-REWJHTLYSA-N 1 0 234.343 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H]3CCCO[C@@H]3C2)C1 ZINC001254660438 969772423 /nfs/dbraw/zinc/77/24/23/969772423.db2.gz XZZFQJQWGLPAJS-AAVRWANBSA-N 1 0 234.343 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CCCO[C@H]3C2)C1 ZINC001254660442 969772435 /nfs/dbraw/zinc/77/24/35/969772435.db2.gz XZZFQJQWGLPAJS-MQYQWHSLSA-N 1 0 234.343 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CC3(C2)C[C@@H](F)CS3)C1 ZINC001254668523 969773456 /nfs/dbraw/zinc/77/34/56/969773456.db2.gz GJQOLBRZJARANM-GMTAPVOTSA-N 1 0 240.347 2.208 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)C1 ZINC001254661782 969774881 /nfs/dbraw/zinc/77/48/81/969774881.db2.gz YCUIIOZJSMUXLY-HZSPNIEDSA-N 1 0 234.343 2.324 20 30 BEEDRO C[NH2+]Cc1c(C)nn([C@@H]2CC[C@@H](C#N)C2)c1C ZINC001254667627 969774919 /nfs/dbraw/zinc/77/49/19/969774919.db2.gz BRHGLISIKAVFAT-VXGBXAGGSA-N 1 0 232.331 2.084 20 30 BEEDRO COC[C@@]12CCC[C@@H]1C[N@@H+]([C@@H]1CC[C@H](C#N)C1)C2 ZINC001254662173 969775171 /nfs/dbraw/zinc/77/51/71/969775171.db2.gz CPQCWKVUFCIBIS-YJNKXOJESA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001254665307 969775455 /nfs/dbraw/zinc/77/54/55/969775455.db2.gz MRFUYAZVWCKZTP-UHFZAUJKSA-N 1 0 208.280 2.111 20 30 BEEDRO CCN(CC[NH+](CC)CC)[C@@H]1CC[C@H](C#N)C1 ZINC001254668161 969775634 /nfs/dbraw/zinc/77/56/34/969775634.db2.gz GMUKDNWKEFUKQC-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO Cc1cc2c(cn1)C[N@@H+]([C@H]1CC[C@H](C#N)C1)C2 ZINC001254671892 969776813 /nfs/dbraw/zinc/77/68/13/969776813.db2.gz WFPCBRIHFFRAMO-FZMZJTMJSA-N 1 0 227.311 2.398 20 30 BEEDRO N#C[C@@H]1CC[C@@H](n2ccnc2[C@@H]2CCC[NH2+]C2)C1 ZINC001254671777 969777583 /nfs/dbraw/zinc/77/75/83/969777583.db2.gz UFBRAWYWQDZAQS-JHJVBQTASA-N 1 0 244.342 2.215 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254675873 969779760 /nfs/dbraw/zinc/77/97/60/969779760.db2.gz GWPZZNYMIPTYAA-FRRDWIJNSA-N 1 0 222.332 2.035 20 30 BEEDRO CC1(C)CCCC[C@H]1C[NH+]1CC(O)(CC#N)C1 ZINC001169631027 969794870 /nfs/dbraw/zinc/79/48/70/969794870.db2.gz XXSMTOYDVWDCFB-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC3CCN(CC3)C2)CCCC1 ZINC001254833650 969797615 /nfs/dbraw/zinc/79/76/15/969797615.db2.gz QRWRFSWXNHCDHP-CQSZACIVSA-N 1 0 247.386 2.144 20 30 BEEDRO COc1cccc(Nc2c[nH+]c(C)n2C)c1C#N ZINC001210123920 969806903 /nfs/dbraw/zinc/80/69/03/969806903.db2.gz APFRIAIECDWAOZ-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO Cc1ccc2[nH+]c(N)n(-c3cccnc3C#N)c2c1 ZINC001210141628 969808288 /nfs/dbraw/zinc/80/82/88/969808288.db2.gz XDCLXXYOANCYLR-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO CC1(C#N)CC[NH+]([C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254859091 969810559 /nfs/dbraw/zinc/81/05/59/969810559.db2.gz AZGVUCSYWPYMPE-CQSZACIVSA-N 1 0 247.386 2.096 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(N2CCCC2)ncn1 ZINC001169692150 969814160 /nfs/dbraw/zinc/81/41/60/969814160.db2.gz KVSROMQOLPRYGD-CQSZACIVSA-N 1 0 244.342 2.291 20 30 BEEDRO COc1ccc(-n2ccc(C[NH3+])c2)c(CC#N)c1 ZINC001169725500 969818216 /nfs/dbraw/zinc/81/82/16/969818216.db2.gz GOCIGZIVMURMOR-UHFFFAOYSA-N 1 0 241.294 2.011 20 30 BEEDRO COc1cc(-n2ccc(C[NH3+])c2)ccc1CC#N ZINC001169725551 969818515 /nfs/dbraw/zinc/81/85/15/969818515.db2.gz HBQLWGRLTRGFMH-UHFFFAOYSA-N 1 0 241.294 2.011 20 30 BEEDRO N#CCCCC[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254923694 969821981 /nfs/dbraw/zinc/82/19/81/969821981.db2.gz FPGAAWMHIAWKDY-GDNZZTSVSA-N 1 0 220.316 2.028 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)CCCC[NH2+]CC=C 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C#C[C@@](C)(CC)[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC001169911839 969883364 /nfs/dbraw/zinc/88/33/64/969883364.db2.gz ATGAMSCQVCRLBV-STQMWFEESA-N 1 0 237.343 2.064 20 30 BEEDRO C[n+]1cccc(NC2=CC(=O)CC(C)(C)C2)c1 ZINC001169953007 969890091 /nfs/dbraw/zinc/89/00/91/969890091.db2.gz KRGASHMOYNGKBH-UHFFFAOYSA-O 1 0 231.319 2.196 20 30 BEEDRO C#CCN1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000766965493 969892874 /nfs/dbraw/zinc/89/28/74/969892874.db2.gz GWIQVDAQAOBLTN-CABCVRRESA-N 1 0 242.366 2.214 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(C)=O)C2 ZINC001108842105 969905077 /nfs/dbraw/zinc/90/50/77/969905077.db2.gz YYKURDDXLJLHEA-ZZVYKPCYSA-N 1 0 236.359 2.083 20 30 BEEDRO Cc1ccc(C#N)cc1Nc1cc[nH+]c(CO)c1 ZINC001210494979 969906553 /nfs/dbraw/zinc/90/65/53/969906553.db2.gz CTBHOFYGLZVLGT-UHFFFAOYSA-N 1 0 239.278 2.498 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=C)C ZINC001109046289 969922563 /nfs/dbraw/zinc/92/25/63/969922563.db2.gz MLPFHUDYDZOBKB-RDBSUJKOSA-N 1 0 248.370 2.250 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)/C(C)=C\C)C2 ZINC001109138076 969927852 /nfs/dbraw/zinc/92/78/52/969927852.db2.gz ZCZGUTZQLINKDO-BFMBINPPSA-N 1 0 248.370 2.250 20 30 BEEDRO CN(c1ccc(O)c(C#N)c1)c1cc(N)cc[nH+]1 ZINC001210529294 969930742 /nfs/dbraw/zinc/93/07/42/969930742.db2.gz DNVLQBTUGPQGBM-UHFFFAOYSA-N 1 0 240.266 2.009 20 30 BEEDRO C#CC1CC[NH+](C2CCSCC2)CC1 ZINC001255094953 969932549 /nfs/dbraw/zinc/93/25/49/969932549.db2.gz QAXNFXFFRDEHMV-UHFFFAOYSA-N 1 0 209.358 2.227 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@]12C[C@H]3C[C@@H](C1)C[C@](O)(C3)C2 ZINC001255155282 969963400 /nfs/dbraw/zinc/96/34/00/969963400.db2.gz OEVYQWNAOAHDRZ-ZQNQSHIBSA-N 1 0 248.370 2.352 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001255156770 969964678 /nfs/dbraw/zinc/96/46/78/969964678.db2.gz RYJNTQOHAIQTOU-IJLUTSLNSA-N 1 0 205.305 2.351 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC(C)(C)N(O)C1(C)C ZINC001255156609 969965363 /nfs/dbraw/zinc/96/53/63/969965363.db2.gz MBLWGMQLYNAJPH-QWRGUYRKSA-N 1 0 239.363 2.289 20 30 BEEDRO CC[C@H](CC#N)Nc1ccc(C[NH3+])c(F)c1 ZINC001255163157 969973071 /nfs/dbraw/zinc/97/30/71/969973071.db2.gz CLVRMMXGOXZMTQ-SNVBAGLBSA-N 1 0 221.279 2.389 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H](C)[C@@](C)(O)CC1 ZINC001255163621 969973207 /nfs/dbraw/zinc/97/32/07/969973207.db2.gz BCWKWBNQEFAMEC-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H](C)[C@@](C)(O)CC1 ZINC001255163624 969973818 /nfs/dbraw/zinc/97/38/18/969973818.db2.gz BCWKWBNQEFAMEC-XQQFMLRXSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H](C)[C@](C)(O)CC1 ZINC001255163627 969974709 /nfs/dbraw/zinc/97/47/09/969974709.db2.gz BCWKWBNQEFAMEC-YNEHKIRRSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCC[C@@H]1C(=O)OC ZINC001255162643 969974800 /nfs/dbraw/zinc/97/48/00/969974800.db2.gz VEUNWYXBSGZFSL-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@@H](CC#N)[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001255166585 969980022 /nfs/dbraw/zinc/98/00/22/969980022.db2.gz MKYGBJSTTILWPK-UTLUCORTSA-N 1 0 214.259 2.266 20 30 BEEDRO CC[C@H](CC#N)N1CCc2cccc(O)c2C1 ZINC001255176079 969990931 /nfs/dbraw/zinc/99/09/31/969990931.db2.gz WKLGGZBBJFTGRQ-GFCCVEGCSA-N 1 0 230.311 2.443 20 30 BEEDRO CC[C@H](CC#N)N1CC[N@H+](C)CC12CCCC2 ZINC001255177287 969991703 /nfs/dbraw/zinc/99/17/03/969991703.db2.gz PNIUXZMOCVZGAW-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCc2ccccc21 ZINC000785769343 970086435 /nfs/dbraw/zinc/08/64/35/970086435.db2.gz UDGAUSPHAFIUOP-HNNXBMFYSA-N 1 0 229.323 2.256 20 30 BEEDRO CCCC[C@@H](C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001255321134 970097669 /nfs/dbraw/zinc/09/76/69/970097669.db2.gz YHQDVTBJPCDAFN-AXFHLTTASA-N 1 0 230.352 2.075 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)CCCC)CC1 ZINC001112622532 970125222 /nfs/dbraw/zinc/12/52/22/970125222.db2.gz PXXCZYNSWJGBAC-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)/C(C)=C\CC)CC1 ZINC001112664608 970137252 /nfs/dbraw/zinc/13/72/52/970137252.db2.gz LNMYQHHAPXGGED-QPEQYQDCSA-N 1 0 236.359 2.063 20 30 BEEDRO COC1CCC([NH+]2CCC(S)CC2)CC1 ZINC001255460719 970185849 /nfs/dbraw/zinc/18/58/49/970185849.db2.gz AMKOOEHWERFMDC-UHFFFAOYSA-N 1 0 229.389 2.338 20 30 BEEDRO Cn1c[nH+]cc1Nc1c(C#N)ccc(F)c1F ZINC001211252735 970200700 /nfs/dbraw/zinc/20/07/00/970200700.db2.gz WZHYKYHULBOPFX-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO Cn1c[nH+]cc1Nc1cccc(CC#N)c1 ZINC001211251473 970201489 /nfs/dbraw/zinc/20/14/89/970201489.db2.gz GRGICYQTCIGDNO-UHFFFAOYSA-N 1 0 212.256 2.230 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(C)c(C#N)c1 ZINC001211260340 970206731 /nfs/dbraw/zinc/20/67/31/970206731.db2.gz LGQXIODBMAAMCW-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccccc1CC#N ZINC001211263361 970208264 /nfs/dbraw/zinc/20/82/64/970208264.db2.gz NEBFHNLCTHMVIW-UHFFFAOYSA-N 1 0 239.278 2.322 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(C#N)c(F)c1 ZINC001211263132 970210852 /nfs/dbraw/zinc/21/08/52/970210852.db2.gz HNDUDCJRCCOYEF-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001255527973 970291336 /nfs/dbraw/zinc/29/13/36/970291336.db2.gz BVWLZKPUNYUTCF-WCQYABFASA-N 1 0 209.333 2.336 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ncc(C#N)s2)C1 ZINC001170112342 970327359 /nfs/dbraw/zinc/32/73/59/970327359.db2.gz JGQRTMQSUFXQOA-RKDXNWHRSA-N 1 0 221.329 2.293 20 30 BEEDRO N#Cc1ccc(OC(F)F)cc1C1=CC[NH2+]C1 ZINC001243110705 970349027 /nfs/dbraw/zinc/34/90/27/970349027.db2.gz IVTXUZHVYHJSEG-UHFFFAOYSA-N 1 0 236.221 2.146 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001170119738 970349154 /nfs/dbraw/zinc/34/91/54/970349154.db2.gz BWJVHSKFLAVXSR-KOLCDFICSA-N 1 0 204.273 2.429 20 30 BEEDRO COC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001255566131 970357123 /nfs/dbraw/zinc/35/71/23/970357123.db2.gz BTVGKHIHBLBOKA-SECBINFHSA-N 1 0 238.718 2.336 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCC2(CC1)OCCO2 ZINC001255614588 970400945 /nfs/dbraw/zinc/40/09/45/970400945.db2.gz BBUIRWIWUUQGBT-CYBMUJFWSA-N 1 0 237.343 2.064 20 30 BEEDRO CNC(NCc1ccc(Cl)c(Cl)c1)=[NH+]C ZINC000690411365 970518461 /nfs/dbraw/zinc/51/84/61/970518461.db2.gz UHRZVRWICHOQHH-UHFFFAOYSA-N 1 0 246.141 2.288 20 30 BEEDRO CO[C@H](C[N@H+](CCC#N)CC(C)C)C1CC1 ZINC000400151098 970559757 /nfs/dbraw/zinc/55/97/57/970559757.db2.gz DCEFVCQQKSKTHL-CYBMUJFWSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)nc2)CCO1 ZINC001170196642 970594374 /nfs/dbraw/zinc/59/43/74/970594374.db2.gz TYDRZNBSKWGQTK-OCCSQVGLSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@@H]1C[C@@H]([N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC001170236237 970618050 /nfs/dbraw/zinc/61/80/50/970618050.db2.gz CYRLCUHNEXNSCX-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H]1C[C@H]([N@H+](CC)CCC#N)CCO1 ZINC001170224728 970627683 /nfs/dbraw/zinc/62/76/83/970627683.db2.gz VLSQSWATIRIDDC-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC001256067186 970629985 /nfs/dbraw/zinc/62/99/85/970629985.db2.gz FFADTRBXAJWTHY-BETUJISGSA-N 1 0 247.386 2.285 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCO[C@@H](CC)C2)C1 ZINC001170227388 970634838 /nfs/dbraw/zinc/63/48/38/970634838.db2.gz NVYCMSDMNIBLGT-RDBSUJKOSA-N 1 0 221.344 2.289 20 30 BEEDRO CCC[C@](C)(C#N)NC1CC[NH+](C2CC2)CC1 ZINC001256072140 970636761 /nfs/dbraw/zinc/63/67/61/970636761.db2.gz YYCGDRCMRHMTNP-CQSZACIVSA-N 1 0 235.375 2.285 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)CC1 ZINC001256078657 970645786 /nfs/dbraw/zinc/64/57/86/970645786.db2.gz CJPDZUUMEBGUFZ-ZDUSSCGKSA-N 1 0 247.386 2.239 20 30 BEEDRO CC1(C#N)CC[NH+](C2CCN(C3CC3)CC2)CC1 ZINC001256079999 970648043 /nfs/dbraw/zinc/64/80/43/970648043.db2.gz QSZIBSPQMWAJTH-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CC[C@@H]1CCOC1 ZINC000401022021 970654347 /nfs/dbraw/zinc/65/43/47/970654347.db2.gz YFXPEJFRHVXALX-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1ccccc1C#N ZINC000401232731 970667424 /nfs/dbraw/zinc/66/74/24/970667424.db2.gz OQEDHTRTSPGVFH-FRRDWIJNSA-N 1 0 243.354 2.129 20 30 BEEDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccccc1C#N ZINC000401232729 970669055 /nfs/dbraw/zinc/66/90/55/970669055.db2.gz OQEDHTRTSPGVFH-AVGNSLFASA-N 1 0 243.354 2.129 20 30 BEEDRO C=CCCCNc1cc(N2CCOCC2)cc[nH+]1 ZINC001170298900 970677565 /nfs/dbraw/zinc/67/75/65/970677565.db2.gz USJHZIXPWLUQSP-UHFFFAOYSA-N 1 0 247.342 2.296 20 30 BEEDRO C=CCCCNc1c[nH+]ccc1N1CCOCC1 ZINC001170299865 970679831 /nfs/dbraw/zinc/67/98/31/970679831.db2.gz RJVKXCPSKODGJG-UHFFFAOYSA-N 1 0 247.342 2.296 20 30 BEEDRO CC(C)(S)CNc1ccc2c(c1)C[NH2+]C2 ZINC001170305775 970693504 /nfs/dbraw/zinc/69/35/04/970693504.db2.gz FAUQZMNZARJYOG-UHFFFAOYSA-N 1 0 222.357 2.410 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)c1 ZINC001144074139 972549267 /nfs/dbraw/zinc/54/92/67/972549267.db2.gz FHSXONGKGVZUNS-NEPJUHHUSA-N 1 0 249.264 2.040 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@H](CC)CC(F)F ZINC001327517083 972608364 /nfs/dbraw/zinc/60/83/64/972608364.db2.gz BWUVYMYDXKDNLG-LLVKDONJSA-N 1 0 233.302 2.249 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC3CCC2CC3)nc1 ZINC001144162925 972639947 /nfs/dbraw/zinc/63/99/47/972639947.db2.gz DQAMISKFGIPCOV-UHFFFAOYSA-N 1 0 227.311 2.328 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(COC)cs1 ZINC001327577370 972647466 /nfs/dbraw/zinc/64/74/66/972647466.db2.gz MSWBWSXTHFCULN-LLVKDONJSA-N 1 0 241.356 2.185 20 30 BEEDRO CCN(CCC#N)Cc1ccc2cc[nH]c2n1 ZINC001144179741 972654451 /nfs/dbraw/zinc/65/44/51/972654451.db2.gz RIGFTTQQSMMDGE-UHFFFAOYSA-N 1 0 228.299 2.298 20 30 BEEDRO CC[N@H+](CCNc1cccc(CC#N)n1)C1CC1 ZINC001327597065 972659894 /nfs/dbraw/zinc/65/98/94/972659894.db2.gz ZIQUEPWFUQFSCH-UHFFFAOYSA-N 1 0 244.342 2.044 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC(C)(C)CO ZINC001171175425 972803002 /nfs/dbraw/zinc/80/30/02/972803002.db2.gz KRZXBEWAODYGBG-LBPRGKRZSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ccno1 ZINC001171177827 972806386 /nfs/dbraw/zinc/80/63/86/972806386.db2.gz AYQYGEOQCUUVAP-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)CN(C)C ZINC001171178103 972806767 /nfs/dbraw/zinc/80/67/67/972806767.db2.gz CEMJHOXVJDFPOX-STQMWFEESA-N 1 0 245.370 2.029 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]Cc1ncco1 ZINC001171175535 972806877 /nfs/dbraw/zinc/80/68/77/972806877.db2.gz MPAYSJKUEBFUSP-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)n1cc(C[NH3+])cn1 ZINC001171185284 972820626 /nfs/dbraw/zinc/82/06/26/972820626.db2.gz PZZZSTFVQBPGSY-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)N(C)C(C)(C)C[NH3+] ZINC001171190844 972836397 /nfs/dbraw/zinc/83/63/97/972836397.db2.gz YMMSVPGJXFURIG-LBPRGKRZSA-N 1 0 245.370 2.158 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]1CC[N@H+]1C(C)C ZINC001276862349 972837186 /nfs/dbraw/zinc/83/71/86/972837186.db2.gz TVPLKPJZDXYJHB-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCS ZINC001171193382 972844683 /nfs/dbraw/zinc/84/46/83/972844683.db2.gz XCIXYEYTBQNWLD-NSHDSACASA-N 1 0 234.368 2.399 20 30 BEEDRO CC(C)([NH3+])CNc1cc(F)cc(CC#N)c1 ZINC001171194498 972847145 /nfs/dbraw/zinc/84/71/45/972847145.db2.gz PYIOQOZCWDBJJD-UHFFFAOYSA-N 1 0 221.279 2.041 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@]23CCOC3)cc1 ZINC001144578692 972871671 /nfs/dbraw/zinc/87/16/71/972871671.db2.gz JJWJWRHBKKHRHN-OAHLLOKOSA-N 1 0 227.307 2.033 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1 ZINC001144567963 972873811 /nfs/dbraw/zinc/87/38/11/972873811.db2.gz GAQZEWYWBQVJFN-INIZCTEOSA-N 1 0 241.334 2.423 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC3(COC3)CC2)cc1 ZINC001144567635 972874578 /nfs/dbraw/zinc/87/45/78/972874578.db2.gz WCKNURLSNFOUQR-UHFFFAOYSA-N 1 0 241.334 2.280 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)cc1 ZINC001144568099 972874757 /nfs/dbraw/zinc/87/47/57/972874757.db2.gz LDXRKVLDEIQMHN-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)cc1 ZINC001144568100 972875266 /nfs/dbraw/zinc/87/52/66/972875266.db2.gz LDXRKVLDEIQMHN-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCCC(=O)[C@H](C)C2)cc1 ZINC001144568248 972875446 /nfs/dbraw/zinc/87/54/46/972875446.db2.gz OIPYQDIXIJWZRP-CYBMUJFWSA-N 1 0 241.334 2.469 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1 ZINC001144567773 972875870 /nfs/dbraw/zinc/87/58/70/972875870.db2.gz BHINJDHTPCKPOU-CVEARBPZSA-N 1 0 241.334 2.279 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)cc1 ZINC001144568097 972875905 /nfs/dbraw/zinc/87/59/05/972875905.db2.gz LDXRKVLDEIQMHN-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(CN2CCC(=O)[C@@H](C)C2)cc1 ZINC001144568581 972877720 /nfs/dbraw/zinc/87/77/20/972877720.db2.gz YXAWWIPLQLWMAY-LBPRGKRZSA-N 1 0 227.307 2.079 20 30 BEEDRO C#Cc1ccc(CN2CCC(=O)[C@H](F)CC2)cc1 ZINC001144568459 972878314 /nfs/dbraw/zinc/87/83/14/972878314.db2.gz VRTPZSOQZRNBCC-CQSZACIVSA-N 1 0 245.297 2.171 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CCC(=O)OCC)cc1 ZINC001144576457 972879497 /nfs/dbraw/zinc/87/94/97/972879497.db2.gz LCGFMGTZWVTUGS-UHFFFAOYSA-N 1 0 245.322 2.053 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc1 ZINC001144576456 972879704 /nfs/dbraw/zinc/87/97/04/972879704.db2.gz LAXZVLOGGMZFTG-HZPDHXFCSA-N 1 0 241.334 2.279 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CC(C#N)C1 ZINC001171200888 972882844 /nfs/dbraw/zinc/88/28/44/972882844.db2.gz DPPPQOOCNLHCOD-VCANKDNSSA-N 1 0 239.322 2.381 20 30 BEEDRO CC[N@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171202781 972897358 /nfs/dbraw/zinc/89/73/58/972897358.db2.gz GENHRFAYFBCWGY-NSHDSACASA-N 1 0 202.301 2.441 20 30 BEEDRO C[C@H](C[N+](C)(C)C)OCc1ccc(C#N)s1 ZINC001223289098 972928009 /nfs/dbraw/zinc/92/80/09/972928009.db2.gz SNCJFMKCZAOCNR-SNVBAGLBSA-N 1 0 239.364 2.231 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001171210207 972951283 /nfs/dbraw/zinc/95/12/83/972951283.db2.gz QKQVCSQULFNNKX-DFBGVHRSSA-N 1 0 226.323 2.441 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001246589649 972988656 /nfs/dbraw/zinc/98/86/56/972988656.db2.gz SYAFKILCHHESGQ-TUAOUCFPSA-N 1 0 214.328 2.102 20 30 BEEDRO Cc1cnc(N[C@@H](C[NH3+])C(C)(C)C)c(C#N)c1 ZINC001160912527 973112103 /nfs/dbraw/zinc/11/21/03/973112103.db2.gz OBRNVHRLJSPWEK-NSHDSACASA-N 1 0 232.331 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)CCC1(C)CC1 ZINC001146465184 973146066 /nfs/dbraw/zinc/14/60/66/973146066.db2.gz QTLOMDHBQAAHBD-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CCC1(C)CC1 ZINC001146458607 973160281 /nfs/dbraw/zinc/16/02/81/973160281.db2.gz MZHVNKDZYBXAHV-UHFFFAOYSA-N 1 0 244.766 2.025 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@H](C)c1cccnc1 ZINC001328612507 973197984 /nfs/dbraw/zinc/19/79/84/973197984.db2.gz MEEAAISDUHDWOG-GFCCVEGCSA-N 1 0 214.312 2.488 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1=CCCCC1 ZINC001146726770 973238385 /nfs/dbraw/zinc/23/83/85/973238385.db2.gz CIXLNGWXZUHCSY-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CCC1 ZINC001328967472 973406001 /nfs/dbraw/zinc/40/60/01/973406001.db2.gz DQYZDQHWGIMAOS-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N1CC2(C1)CC[N@@H+](CCC=C)C2 ZINC001147188470 973454480 /nfs/dbraw/zinc/45/44/80/973454480.db2.gz ZTQSOBBGCDNRDA-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO CC[NH+](CC)C[C@H](C)OCc1cncc(C#N)c1 ZINC001224132987 973459895 /nfs/dbraw/zinc/45/98/95/973459895.db2.gz ANTUABFIWQLZCM-LBPRGKRZSA-N 1 0 247.342 2.200 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC001147332079 973533086 /nfs/dbraw/zinc/53/30/86/973533086.db2.gz SZSITKNLOJSPTB-QWRGUYRKSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]1CNC(=O)C(C)(C)C ZINC001276964585 973556447 /nfs/dbraw/zinc/55/64/47/973556447.db2.gz VAFXPBVCQKXYGC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H](C)CC(C)C ZINC001147393472 973576568 /nfs/dbraw/zinc/57/65/68/973576568.db2.gz HEWRWVSEDPVTSE-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@@H](C)CC(C)C ZINC001147393473 973580906 /nfs/dbraw/zinc/58/09/06/973580906.db2.gz HEWRWVSEDPVTSE-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C#C[C@@H](OCC1CC[NH+](C)CC1)c1ccncc1 ZINC001224455055 973659722 /nfs/dbraw/zinc/65/97/22/973659722.db2.gz SYYBMAXGWNOIDK-OAHLLOKOSA-N 1 0 244.338 2.114 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC001329376150 973711953 /nfs/dbraw/zinc/71/19/53/973711953.db2.gz RVXOJBNHAKLHKX-IUODEOHRSA-N 1 0 247.338 2.473 20 30 BEEDRO COCCC1(C[NH2+]CC#Cc2ccccc2)CC1 ZINC000234838584 973777468 /nfs/dbraw/zinc/77/74/68/973777468.db2.gz SZWZFGSXUUIMPD-UHFFFAOYSA-N 1 0 243.350 2.444 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001329474165 973789135 /nfs/dbraw/zinc/78/91/35/973789135.db2.gz ICUJYQJARRBNRN-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)C1CCC1 ZINC001329474163 973790615 /nfs/dbraw/zinc/79/06/15/973790615.db2.gz ICUJYQJARRBNRN-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@H+](C)C(C)C ZINC001329517170 973809770 /nfs/dbraw/zinc/80/97/70/973809770.db2.gz SMNKPTYARPYGMJ-CHWSQXEVSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CC[C@H](C)CC1 ZINC001148496932 973851601 /nfs/dbraw/zinc/85/16/01/973851601.db2.gz CUDLBDNBDHHZDP-JOCQHMNTSA-N 1 0 238.375 2.095 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171334645 973864849 /nfs/dbraw/zinc/86/48/49/973864849.db2.gz UUAHHVCMGZLCGS-LLVKDONJSA-N 1 0 236.265 2.325 20 30 BEEDRO C#C[C@@H](OC[C@@H]1CCCC[N@H+]1C)c1ccncc1 ZINC001224706486 973874343 /nfs/dbraw/zinc/87/43/43/973874343.db2.gz KRPLHPMZCVYHLR-LSDHHAIUSA-N 1 0 244.338 2.257 20 30 BEEDRO C#C[C@H](OC[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001224707767 973877767 /nfs/dbraw/zinc/87/77/67/973877767.db2.gz SPLOZBVPGWAIQN-STQMWFEESA-N 1 0 209.333 2.145 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)c2ccccc2)CC1 ZINC001276991808 973881721 /nfs/dbraw/zinc/88/17/21/973881721.db2.gz OIRYQMZOQOVKDX-UHFFFAOYSA-N 1 0 244.338 2.115 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(=O)CC(C)C)CC1 ZINC001276992089 973883893 /nfs/dbraw/zinc/88/38/93/973883893.db2.gz QHIUQLCPTPNOHN-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CCNC(=O)c1ccc(C(C)C)cc1 ZINC001148841239 973893320 /nfs/dbraw/zinc/89/33/20/973893320.db2.gz YZWPBIMPKYYNNG-UHFFFAOYSA-N 1 0 246.354 2.315 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC001148882332 973899625 /nfs/dbraw/zinc/89/96/25/973899625.db2.gz XNRULFKBTGLZRE-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](OCC[N+](C)(C)C)C(C)C ZINC001224774416 973940811 /nfs/dbraw/zinc/94/08/11/973940811.db2.gz RXTZBAFZWKMQSU-LBPRGKRZSA-N 1 0 200.346 2.310 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)C1CC1 ZINC001329874145 973986169 /nfs/dbraw/zinc/98/61/69/973986169.db2.gz DZFBKFMQXXMNJX-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405835 974011797 /nfs/dbraw/zinc/01/17/97/974011797.db2.gz AQKZTPDVWSYULO-JQWIXIFHSA-N 1 0 217.287 2.294 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C1C[NH+](CCCC)C1 ZINC001329971958 974063022 /nfs/dbraw/zinc/06/30/22/974063022.db2.gz OUYNCRMLRCEEDK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccn1C1CC1 ZINC001330114944 974113019 /nfs/dbraw/zinc/11/30/19/974113019.db2.gz OUJRFOMPKYVHEQ-CYBMUJFWSA-N 1 0 246.354 2.341 20 30 BEEDRO C#C[C@@H](C)NC1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171624817 974117650 /nfs/dbraw/zinc/11/76/50/974117650.db2.gz YRKHMOPMBIZDDA-LLVKDONJSA-N 1 0 222.376 2.249 20 30 BEEDRO C[C@H]1C[C@@H](N(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC001171761902 974148485 /nfs/dbraw/zinc/14/84/85/974148485.db2.gz GXXCJFUCGDHJDF-DZGCQCFKSA-N 1 0 243.354 2.105 20 30 BEEDRO C#CCN(C)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763265 974149400 /nfs/dbraw/zinc/14/94/00/974149400.db2.gz OYPYWQHAVHNZAB-GDBMZVCRSA-N 1 0 242.366 2.214 20 30 BEEDRO C#CCN(C)[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC001171763268 974149629 /nfs/dbraw/zinc/14/96/29/974149629.db2.gz OYPYWQHAVHNZAB-GOEBONIOSA-N 1 0 242.366 2.214 20 30 BEEDRO C=C(C)C[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171773970 974158539 /nfs/dbraw/zinc/15/85/39/974158539.db2.gz SCMDUHNCRIJQNV-NSHDSACASA-N 1 0 205.276 2.459 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171783970 974170525 /nfs/dbraw/zinc/17/05/25/974170525.db2.gz BZROTWPTEWWBOH-ONGXEEELSA-N 1 0 218.275 2.185 20 30 BEEDRO N#C[C@@H]1CCN([C@H]2Cc3cccc(F)c3C2)C1 ZINC001171806931 974201916 /nfs/dbraw/zinc/20/19/16/974201916.db2.gz LQSRYGBZTLLNNY-JQWIXIFHSA-N 1 0 230.286 2.138 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171941477 974220775 /nfs/dbraw/zinc/22/07/75/974220775.db2.gz VNDURJVGEJYDOC-LKSINWNRSA-N 1 0 237.343 2.110 20 30 BEEDRO CCOC(=O)C1(C)CCC([NH2+]CCS)CC1 ZINC001171934771 974225449 /nfs/dbraw/zinc/22/54/49/974225449.db2.gz DDHLDRNRASNGEK-UHFFFAOYSA-N 1 0 245.388 2.018 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171941476 974225774 /nfs/dbraw/zinc/22/57/74/974225774.db2.gz VNDURJVGEJYDOC-DCBWTQNWSA-N 1 0 237.343 2.110 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2C#N)C1 ZINC001330589338 974340234 /nfs/dbraw/zinc/34/02/34/974340234.db2.gz SJBBKSOWAMANBG-RYUDHWBXSA-N 1 0 248.301 2.354 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](N1CCC[C@H](C#N)C1)C2 ZINC001172124632 974348713 /nfs/dbraw/zinc/34/87/13/974348713.db2.gz MGYKTOXLFRYXFY-APIJFGDWSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172126658 974350245 /nfs/dbraw/zinc/35/02/45/974350245.db2.gz XUJDUUKJIGZFPM-CLLJXQQHSA-N 1 0 208.349 2.120 20 30 BEEDRO C#C[C@H](C)Oc1ccc(C[NH+](C)C)cc1 ZINC001225330756 974405171 /nfs/dbraw/zinc/40/51/71/974405171.db2.gz PXAKWBHCTZADEP-NSHDSACASA-N 1 0 203.285 2.149 20 30 BEEDRO C[NH+](C)Cc1ccc(O[C@H]2C=CC(=O)C2)cc1 ZINC001225332309 974410014 /nfs/dbraw/zinc/41/00/14/974410014.db2.gz KCZNETCBLBMWDX-AWEZNQCLSA-N 1 0 231.295 2.025 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)c1 ZINC001172217720 974445378 /nfs/dbraw/zinc/44/53/78/974445378.db2.gz PTEHEGMFUDJSSB-GOOCMWNKSA-N 1 0 242.322 2.358 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)/C(C)=C\C)C2 ZINC001094890314 974464055 /nfs/dbraw/zinc/46/40/55/974464055.db2.gz DTSZIGVKQIEXGQ-ORJHTEBDSA-N 1 0 248.370 2.108 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CC1 ZINC001172229744 974471658 /nfs/dbraw/zinc/47/16/58/974471658.db2.gz CCUXDSPRKCUFQJ-LSPKCERGSA-N 1 0 232.327 2.144 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCCO1 ZINC001330829605 974490265 /nfs/dbraw/zinc/49/02/65/974490265.db2.gz AEBRNFVXXLLUKS-UONOGXRCSA-N 1 0 249.358 2.056 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1(C#N)CC1 ZINC001172300976 974512571 /nfs/dbraw/zinc/51/25/71/974512571.db2.gz IZPFVONZEACXAE-LBPRGKRZSA-N 1 0 239.322 2.383 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172308879 974517412 /nfs/dbraw/zinc/51/74/12/974517412.db2.gz AIZXDCSAVIMRRV-WFASDCNBSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)CC1COC1 ZINC001172318463 974526398 /nfs/dbraw/zinc/52/63/98/974526398.db2.gz GMQYXCAZWVHALW-GFCCVEGCSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001330914726 974533448 /nfs/dbraw/zinc/53/34/48/974533448.db2.gz HOQKWWYQOZLFIC-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001330914728 974533606 /nfs/dbraw/zinc/53/36/06/974533606.db2.gz HOQKWWYQOZLFIC-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172292386 974562054 /nfs/dbraw/zinc/56/20/54/974562054.db2.gz OWXPNBCTFGFDHN-DOMZBBRYSA-N 1 0 246.354 2.096 20 30 BEEDRO C[C@@H](CO)CC[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172297390 974564996 /nfs/dbraw/zinc/56/49/96/974564996.db2.gz DRSUUQMCDGVTKI-OLZOCXBDSA-N 1 0 246.354 2.097 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC001172376403 974576710 /nfs/dbraw/zinc/57/67/10/974576710.db2.gz BKYIOIDOJJPMNW-BFHYXJOUSA-N 1 0 203.329 2.380 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001331074359 974584856 /nfs/dbraw/zinc/58/48/56/974584856.db2.gz CHEYJXJXSVGTIF-IFWUJCSASA-N 1 0 222.332 2.226 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2CC[C@H](C)[C@H](C)C2)CC1 ZINC001172380411 974589606 /nfs/dbraw/zinc/58/96/06/974589606.db2.gz SIOAWDZCPCJKEF-RRFJBIMHSA-N 1 0 234.387 2.062 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001331097531 974602547 /nfs/dbraw/zinc/60/25/47/974602547.db2.gz HILVFQBEIVDCCU-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCC[C@H](CC)NC1(C[NH3+])COC1 ZINC001172347095 974618590 /nfs/dbraw/zinc/61/85/90/974618590.db2.gz QZGLXFUOMYBAGT-ZDUSSCGKSA-N 1 0 242.407 2.443 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2cc(C#N)ccc2OC)C1 ZINC001225683630 974643792 /nfs/dbraw/zinc/64/37/92/974643792.db2.gz GQHMUBIOEKQDQD-GFCCVEGCSA-N 1 0 246.310 2.040 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC001172406282 974664350 /nfs/dbraw/zinc/66/43/50/974664350.db2.gz IUPKFIUKSNYVEV-GFCCVEGCSA-N 1 0 232.327 2.463 20 30 BEEDRO C[NH+]1CCC(Oc2ccc(F)c(C#N)c2)CC1 ZINC001225815093 974694405 /nfs/dbraw/zinc/69/44/05/974694405.db2.gz BCEIWXMTBMGSOC-UHFFFAOYSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)F ZINC001331370937 974698133 /nfs/dbraw/zinc/69/81/33/974698133.db2.gz IJZKMWUWIJZLPO-NSHDSACASA-N 1 0 244.354 2.137 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](OCC)C2CC2)CC1 ZINC001331399172 974706957 /nfs/dbraw/zinc/70/69/57/974706957.db2.gz ZHODVJQFYLMIBJ-CQSZACIVSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]C[C@H](C)CC ZINC001331406535 974708684 /nfs/dbraw/zinc/70/86/84/974708684.db2.gz NWKCHPUOOJEMOW-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)/C(C)=C/C ZINC001331421656 974709882 /nfs/dbraw/zinc/70/98/82/974709882.db2.gz LGFMPVIZYLALPB-LAHYYIKRSA-N 1 0 244.766 2.142 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H](F)CC ZINC001331532798 974751303 /nfs/dbraw/zinc/75/13/03/974751303.db2.gz ICLDYGIAXQSHRW-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)CCCC#N)no1 ZINC001172476509 974772849 /nfs/dbraw/zinc/77/28/49/974772849.db2.gz LXHJADWSIRLISW-VIFPVBQESA-N 1 0 207.277 2.155 20 30 BEEDRO C[C@@H](CCCC#N)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC001172477342 974774394 /nfs/dbraw/zinc/77/43/94/974774394.db2.gz YKIYWTIQTMQZFN-JSGCOSHPSA-N 1 0 243.354 2.459 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCn1cccc1 ZINC001172478460 974776665 /nfs/dbraw/zinc/77/66/65/974776665.db2.gz DXZDBSPHMHKRAB-LBPRGKRZSA-N 1 0 205.305 2.160 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1ccc(O)c(O)c1 ZINC001172478121 974777880 /nfs/dbraw/zinc/77/78/80/974777880.db2.gz BRSYJLBCRIJCGO-LLVKDONJSA-N 1 0 248.326 2.312 20 30 BEEDRO COc1ccc(C[NH2+][C@H](C)CCCC#N)cn1 ZINC001172479725 974778683 /nfs/dbraw/zinc/77/86/83/974778683.db2.gz NZOHKSHSYGQMBG-LLVKDONJSA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccc(CO)c1 ZINC001172479840 974779118 /nfs/dbraw/zinc/77/91/18/974779118.db2.gz PWOXUUWGVUSLAO-LBPRGKRZSA-N 1 0 232.327 2.351 20 30 BEEDRO CCOC(=O)CCC[NH2+][C@H](C)CCCC#N ZINC001172479496 974779926 /nfs/dbraw/zinc/77/99/26/974779926.db2.gz LZYKZHGQRIGSOV-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO CC(C)N1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172480436 974780004 /nfs/dbraw/zinc/78/00/04/974780004.db2.gz UFHUURSUNZIOLR-STQMWFEESA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1CCCC(=O)C1 ZINC001172482847 974783200 /nfs/dbraw/zinc/78/32/00/974783200.db2.gz AKIOMPMZVFVEHY-WDEREUQCSA-N 1 0 208.305 2.170 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@@H](O)c1cccc(O)c1 ZINC001172482042 974784409 /nfs/dbraw/zinc/78/44/09/974784409.db2.gz BIGOPIOBCGTQQW-BXUZGUMPSA-N 1 0 248.326 2.098 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC001172483437 974787125 /nfs/dbraw/zinc/78/71/25/974787125.db2.gz PWSYHHRODAYTOW-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1NC(=O)c2ccccc21 ZINC001172485099 974788098 /nfs/dbraw/zinc/78/80/98/974788098.db2.gz LWJWHKXETCZIHR-GWCFXTLKSA-N 1 0 243.310 2.101 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCOC[C@H]1C ZINC001172484708 974788861 /nfs/dbraw/zinc/78/88/61/974788861.db2.gz HUQNOTJKMCBLSZ-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1nccc(Cl)n1 ZINC001172484333 974789589 /nfs/dbraw/zinc/78/95/89/974789589.db2.gz CUXIIOZMTSHHRM-VIFPVBQESA-N 1 0 238.722 2.302 20 30 BEEDRO CCOc1nccc(C[NH2+][C@@H](C)CCCC#N)n1 ZINC001172486179 974790479 /nfs/dbraw/zinc/79/04/79/974790479.db2.gz CENZMCPTGHJONT-NSHDSACASA-N 1 0 248.330 2.047 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2csnn2)C1 ZINC001331741103 974809738 /nfs/dbraw/zinc/80/97/38/974809738.db2.gz HQFZGJUWCHBVCK-ZJUUUORDSA-N 1 0 223.345 2.373 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC001331802881 974822909 /nfs/dbraw/zinc/82/29/09/974822909.db2.gz JMKZDHMDLBDAKI-NSHDSACASA-N 1 0 205.305 2.116 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172492221 974838717 /nfs/dbraw/zinc/83/87/17/974838717.db2.gz JPBLWTGXDFXZMX-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO COc1ccc(CC[NH2+][C@@H](C)CCCC#N)cn1 ZINC001172488875 974832562 /nfs/dbraw/zinc/83/25/62/974832562.db2.gz NEQVYMZYYMJKKF-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C(C)(C)C(C)(C)O ZINC001172488587 974832992 /nfs/dbraw/zinc/83/29/92/974832992.db2.gz UUCVSMMQZSGPMC-SNVBAGLBSA-N 1 0 212.337 2.208 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C12CCC(O)(CC1)CC2 ZINC001172488729 974833818 /nfs/dbraw/zinc/83/38/18/974833818.db2.gz MVTOLETWJIQUQI-HSBZDZAISA-N 1 0 236.359 2.496 20 30 BEEDRO COc1ccc(CC[NH2+][C@H](C)CCCC#N)nc1 ZINC001172489821 974834698 /nfs/dbraw/zinc/83/46/98/974834698.db2.gz QUFLQMAUVQYXMC-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1CCN(C2CC2)CC1 ZINC001172489268 974835214 /nfs/dbraw/zinc/83/52/14/974835214.db2.gz PMIGCIFYUJGIPX-GFCCVEGCSA-N 1 0 235.375 2.285 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ncc(C#N)s1 ZINC001172489697 974835224 /nfs/dbraw/zinc/83/52/24/974835224.db2.gz YUQSVOKRWIKRIY-SECBINFHSA-N 1 0 234.328 2.187 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@]1(C)CCCOC1 ZINC001172490430 974836024 /nfs/dbraw/zinc/83/60/24/974836024.db2.gz GUTWTOKTJJDXIP-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO COC(=O)[C@H]1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172491700 974837399 /nfs/dbraw/zinc/83/73/99/974837399.db2.gz OUHCFWNZBXYUOV-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@]1(C)CCCOC1 ZINC001172490428 974837446 /nfs/dbraw/zinc/83/74/46/974837446.db2.gz GUTWTOKTJJDXIP-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CCCC[C@H]1O ZINC001172491243 974838031 /nfs/dbraw/zinc/83/80/31/974838031.db2.gz FJKOIRUFPGLPNM-YNEHKIRRSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1CCC(=O)[C@H](C)CC1 ZINC001172493487 974839840 /nfs/dbraw/zinc/83/98/40/974839840.db2.gz MKMCQWRADJYGNB-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1CCC(=O)[C@@H](C)CC1 ZINC001172493490 974840197 /nfs/dbraw/zinc/84/01/97/974840197.db2.gz MKMCQWRADJYGNB-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO COC(=O)[C@@H]1CCCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172493645 974841441 /nfs/dbraw/zinc/84/14/41/974841441.db2.gz NHHYMKUGSGVTOS-RYUDHWBXSA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@H](CCCC#N)n1ccnc1CCC[NH3+] ZINC001172492957 974842242 /nfs/dbraw/zinc/84/22/42/974842242.db2.gz VRGUDFRDPHLYBA-LLVKDONJSA-N 1 0 220.320 2.029 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@](C)(O)CC1 ZINC001172493633 974842545 /nfs/dbraw/zinc/84/25/45/974842545.db2.gz NENVKJNQPMRRJN-STQMWFEESA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001172496817 974847621 /nfs/dbraw/zinc/84/76/21/974847621.db2.gz ROJVJXZKAVGMQG-FRRDWIJNSA-N 1 0 223.364 2.093 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001172498585 974848229 /nfs/dbraw/zinc/84/82/29/974848229.db2.gz OTHSIUDOHNUYHA-AGIUHOORSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172499375 974850180 /nfs/dbraw/zinc/85/01/80/974850180.db2.gz WLORWYRVULZNPN-LBPRGKRZSA-N 1 0 204.317 2.414 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC001172499130 974851156 /nfs/dbraw/zinc/85/11/56/974851156.db2.gz AYNHSFMNLIUFFP-UPJWGTAASA-N 1 0 223.364 2.093 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCOCC12CCC2 ZINC001172501743 974854867 /nfs/dbraw/zinc/85/48/67/974854867.db2.gz RDWWXQQYNZGDAY-LBPRGKRZSA-N 1 0 222.332 2.324 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)CCc1cccnc1 ZINC001331907759 974857824 /nfs/dbraw/zinc/85/78/24/974857824.db2.gz MGYLYBCTQWAZMP-OCCSQVGLSA-N 1 0 234.343 2.193 20 30 BEEDRO CCCOC1C[NH+]([C@H](C)CCCC#N)C1 ZINC001172506971 974858812 /nfs/dbraw/zinc/85/88/12/974858812.db2.gz MXXDQHWNBLMCRE-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H]2CCCC(=O)[C@@H]2C1 ZINC001172506499 974859118 /nfs/dbraw/zinc/85/91/18/974859118.db2.gz VACRQBSOUIYPTH-JHJVBQTASA-N 1 0 234.343 2.370 20 30 BEEDRO CO[C@H](C)C1C[NH+]([C@H](C)CCCC#N)C1 ZINC001172509417 974862722 /nfs/dbraw/zinc/86/27/22/974862722.db2.gz LKTOADDLDNSCTN-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO CC[N@H+](CCn1ccnc1)[C@@H](C)CCCC#N ZINC001172510065 974865928 /nfs/dbraw/zinc/86/59/28/974865928.db2.gz VADVIQHEOBSGFH-ZDUSSCGKSA-N 1 0 234.347 2.287 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)Cc1ccno1 ZINC001172509952 974865953 /nfs/dbraw/zinc/86/59/53/974865953.db2.gz SXOYSSJUUZSUFY-SNVBAGLBSA-N 1 0 207.277 2.189 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCC[C@H](C(=O)OC)C2)CC1 ZINC001172625007 974900537 /nfs/dbraw/zinc/90/05/37/974900537.db2.gz UOKHUSQNNCDCPE-UONOGXRCSA-N 1 0 249.354 2.063 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172744913 974919905 /nfs/dbraw/zinc/91/99/05/974919905.db2.gz WOCXYQGYXJJTQE-JSGCOSHPSA-N 1 0 239.359 2.498 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CC2(C(C)C)CC2)C1 ZINC001332024776 974922887 /nfs/dbraw/zinc/92/28/87/974922887.db2.gz KOBKOBLVHKIZDP-AWEZNQCLSA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001336811193 1169983162 /nfs/dbraw/zinc/98/31/62/1169983162.db2.gz MOEPIGGMMDJZAM-LSDHHAIUSA-N 1 0 231.339 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CRBLFODEKYYVSK-BXKDBHETSA-N 1 0 239.290 2.383 20 30 BEEDRO C=CCOC1CCC([N@H+](CC)CCOC)CC1 ZINC001173319688 975308515 /nfs/dbraw/zinc/30/85/15/975308515.db2.gz RQIRMWAIXXVBTA-UHFFFAOYSA-N 1 0 241.375 2.469 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1cccc(F)c1)[C@@H]1CCCO1 ZINC001332896862 975311966 /nfs/dbraw/zinc/31/19/66/975311966.db2.gz CYDZWMAIXPSQRX-CABCVRRESA-N 1 0 247.313 2.139 20 30 BEEDRO C#CC1([NH2+][C@H]2CCN(CC)C2)CCCCC1 ZINC001173357924 975318368 /nfs/dbraw/zinc/31/83/68/975318368.db2.gz LPBKAAURXJONBX-ZDUSSCGKSA-N 1 0 220.360 2.006 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H]1CCN(CC)C1 ZINC001173367097 975353387 /nfs/dbraw/zinc/35/33/87/975353387.db2.gz DVVAVLGQKQHXLQ-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)c1cc2ccccc2o1 ZINC001332994089 975361472 /nfs/dbraw/zinc/36/14/72/975361472.db2.gz IUIBDKCUGSWCTG-ZYHUDNBSSA-N 1 0 244.294 2.358 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC001333012120 975370426 /nfs/dbraw/zinc/37/04/26/975370426.db2.gz 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XHOGQZLAWKDYOT-ZIHBUVQPSA-N 1 0 236.359 2.162 20 30 BEEDRO CC1(C#N)CCC([NH+]2CCN(C3CC3)CC2)CC1 ZINC001173592705 975456292 /nfs/dbraw/zinc/45/62/92/975456292.db2.gz ZSZIJASBLWBODG-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO C[N@H+](Cc1ccncn1)C1CCC(C)(C#N)CC1 ZINC001173597341 975463593 /nfs/dbraw/zinc/46/35/93/975463593.db2.gz PPBFDSWKCWLBAS-UHFFFAOYSA-N 1 0 244.342 2.381 20 30 BEEDRO CN1CC[C@H]([N@H+](C)C2CCC(C)(C#N)CC2)C1 ZINC001173599494 975467137 /nfs/dbraw/zinc/46/71/37/975467137.db2.gz MOEURPKQCRPBFZ-MOKVOYLWSA-N 1 0 235.375 2.095 20 30 BEEDRO CN1CC[C@H]2C[N@@H+](C3CCC(C)(C#N)CC3)C[C@H]21 ZINC001173597755 975472842 /nfs/dbraw/zinc/47/28/42/975472842.db2.gz HZKRVFVDAHPDHL-FGZQJIAISA-N 1 0 247.386 2.095 20 30 BEEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCC#N)C1 ZINC001173637603 975496497 /nfs/dbraw/zinc/49/64/97/975496497.db2.gz VCBCELSQRNGWAS-VXGBXAGGSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CC[C@H](CC(=O)OCC)C1 ZINC001173654426 975509530 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976816105 /nfs/dbraw/zinc/81/61/05/976816105.db2.gz HUPSWGPMUTWSQY-UHFFFAOYSA-N 1 0 244.685 2.476 20 30 BEEDRO Cc1coc(Nc2cc[nH+]cc2C)c1C#N ZINC001174537256 976821551 /nfs/dbraw/zinc/82/15/51/976821551.db2.gz DWWMBUFNMQPRMW-UHFFFAOYSA-N 1 0 213.240 2.329 20 30 BEEDRO Cc1c[nH+]ccc1Nc1ccc(C#N)cc1C#N ZINC001174538849 976828245 /nfs/dbraw/zinc/82/82/45/976828245.db2.gz ULMGAIYRXIYVCA-UHFFFAOYSA-N 1 0 234.262 2.299 20 30 BEEDRO COc1cccc(C#N)c1Nc1cc[nH+]cc1C ZINC001174539056 976829196 /nfs/dbraw/zinc/82/91/96/976829196.db2.gz BDJLXUZFTRCQMQ-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC001335216725 976885599 /nfs/dbraw/zinc/88/55/99/976885599.db2.gz QMAKIDXERWLVOK-JTQLQIEISA-N 1 0 226.364 2.234 20 30 BEEDRO CNc1ccc(C#N)cc1Nc1cc[nH+]c(C)c1 ZINC001174656247 976946722 /nfs/dbraw/zinc/94/67/22/976946722.db2.gz IKPBPZOILKKJKH-UHFFFAOYSA-N 1 0 238.294 2.469 20 30 BEEDRO Cc1cc(Nc2ccc(N)cc2C#N)cc[nH+]1 ZINC001174656031 976949712 /nfs/dbraw/zinc/94/97/12/976949712.db2.gz CYXMUWVIKFBSQQ-UHFFFAOYSA-N 1 0 224.267 2.009 20 30 BEEDRO Cc1cc(Nc2ccccc2C#N)cc[nH+]1 ZINC001174655711 976950255 /nfs/dbraw/zinc/95/02/55/976950255.db2.gz QQJAPQSFJNBNNR-UHFFFAOYSA-N 1 0 209.252 2.427 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)[C@H](F)CC ZINC001174727281 976973763 /nfs/dbraw/zinc/97/37/63/976973763.db2.gz YBKYJTJYTLUXKA-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1cc(F)c(F)cc1C#N ZINC001229837936 977001125 /nfs/dbraw/zinc/00/11/25/977001125.db2.gz BEMUKGOTFCDVKH-QMMMGPOBSA-N 1 0 240.253 2.165 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC001335381741 977017554 /nfs/dbraw/zinc/01/75/54/977017554.db2.gz MRSACVYOLYCFCG-AEGPPILISA-N 1 0 249.354 2.025 20 30 BEEDRO C=CCCOCC[NH2+]Cc1csc(C#N)c1 ZINC001335394712 977022006 /nfs/dbraw/zinc/02/20/06/977022006.db2.gz ZRJBVOWPRRRBDJ-UHFFFAOYSA-N 1 0 236.340 2.302 20 30 BEEDRO C[C@@H](CC1CCC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001335487181 977093421 /nfs/dbraw/zinc/09/34/21/977093421.db2.gz VIPMJBRCDCIXQX-WCQYABFASA-N 1 0 236.359 2.209 20 30 BEEDRO C#CCC1([NH2+]CCCC(F)(F)F)CCOCC1 ZINC001335501112 977106540 /nfs/dbraw/zinc/10/65/40/977106540.db2.gz XJEXMOIWAWGMSL-UHFFFAOYSA-N 1 0 249.276 2.491 20 30 BEEDRO COC[C@@H](C[NH2+]C[C@H](C)CCC#N)C(C)C ZINC001335566026 977146312 /nfs/dbraw/zinc/14/63/12/977146312.db2.gz RHACXZOMODFYTR-CHWSQXEVSA-N 1 0 226.364 2.434 20 30 BEEDRO COC[C@H](C[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC001335566029 977147112 /nfs/dbraw/zinc/14/71/12/977147112.db2.gz RHACXZOMODFYTR-STQMWFEESA-N 1 0 226.364 2.434 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccccc2CC#N)C1 ZINC001230273171 977150920 /nfs/dbraw/zinc/15/09/20/977150920.db2.gz WAUUIGGZPYGXEI-ZDUSSCGKSA-N 1 0 230.311 2.226 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccccc1CC#N ZINC001230275556 977153917 /nfs/dbraw/zinc/15/39/17/977153917.db2.gz BUPVVELOBTVBKY-LLVKDONJSA-N 1 0 218.300 2.082 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)c1cccc(C)c1)CC1CC1 ZINC001335581550 977155492 /nfs/dbraw/zinc/15/54/92/977155492.db2.gz IJGVMPCNWPSFEL-INIZCTEOSA-N 1 0 243.350 2.374 20 30 BEEDRO Cc1ncoc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC000260024819 977160689 /nfs/dbraw/zinc/16/06/89/977160689.db2.gz MWVPHBBJXYSRBE-NSHDSACASA-N 1 0 219.288 2.109 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H]1CN(C)C(C)=O ZINC001230526819 977238718 /nfs/dbraw/zinc/23/87/18/977238718.db2.gz IPHIIYOQBCJCEH-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1cc(F)ccc1C#N ZINC001230636666 977286491 /nfs/dbraw/zinc/28/64/91/977286491.db2.gz OALNOKPTHRMMMA-VIFPVBQESA-N 1 0 222.263 2.026 20 30 BEEDRO C#CCC[NH2+]CCCNC(=O)CCCCCC ZINC001175194513 977290110 /nfs/dbraw/zinc/29/01/10/977290110.db2.gz GQSPXLLTAXXGSP-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=CC[C@H](CCC)Oc1n[nH]cc2nncc1-2 ZINC001230900356 977369080 /nfs/dbraw/zinc/36/90/80/977369080.db2.gz HKKAPXZLXFCYMY-SECBINFHSA-N 1 0 232.287 2.477 20 30 BEEDRO COC1CCC([NH2+]Cc2cncc(C#N)c2)CC1 ZINC000721571513 977410891 /nfs/dbraw/zinc/41/08/91/977410891.db2.gz GUELFQATZZFJDB-UHFFFAOYSA-N 1 0 245.326 2.000 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC001336020926 977432204 /nfs/dbraw/zinc/43/22/04/977432204.db2.gz OZYSQZPLFYDFER-CVEARBPZSA-N 1 0 245.366 2.372 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC001336016829 977433313 /nfs/dbraw/zinc/43/33/13/977433313.db2.gz HRCSVWBVKIMXMK-ZIAGYGMSSA-N 1 0 217.312 2.030 20 30 BEEDRO C[C@@H](CC1CC1)[NH2+]Cc1cncc(C#N)c1 ZINC000721615134 977569633 /nfs/dbraw/zinc/56/96/33/977569633.db2.gz OGYJECPIDBZTKS-JTQLQIEISA-N 1 0 215.300 2.231 20 30 BEEDRO N#Cc1cncc(C[NH2+]C2CCCCC2)c1 ZINC000721614063 977571242 /nfs/dbraw/zinc/57/12/42/977571242.db2.gz GJSMJIYRBQAMFM-UHFFFAOYSA-N 1 0 215.300 2.376 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2cccc(C#N)c2)C1 ZINC001175577424 977587704 /nfs/dbraw/zinc/58/77/04/977587704.db2.gz SEVLPLSDXVUJOD-UHFFFAOYSA-N 1 0 213.284 2.190 20 30 BEEDRO COc1cc(C#N)ccc1NC1=CCC[N@H+](C)C1 ZINC001175579899 977598374 /nfs/dbraw/zinc/59/83/74/977598374.db2.gz RSFUGNWBONSIBT-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OCCCOC)cc1 ZINC001231505178 977619106 /nfs/dbraw/zinc/61/91/06/977619106.db2.gz LUBZRNNKGVGSDA-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC001336325896 977630338 /nfs/dbraw/zinc/63/03/38/977630338.db2.gz OBJOYMQDNQIOBG-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO COc1cc(C#N)ccc1C[NH+]1CC2CC(C2)C1 ZINC001231620879 977650399 /nfs/dbraw/zinc/65/03/99/977650399.db2.gz OUAOIDQUYKHAOE-UHFFFAOYSA-N 1 0 242.322 2.409 20 30 BEEDRO C#Cc1cccc(CN(C)CC[NH+](CC)CC)c1 ZINC001231656801 977653876 /nfs/dbraw/zinc/65/38/76/977653876.db2.gz RVCNDEMWNKSAPF-UHFFFAOYSA-N 1 0 244.382 2.442 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001231655973 977664417 /nfs/dbraw/zinc/66/44/17/977664417.db2.gz CWAQLODULPQFGT-SOUVJXGZSA-N 1 0 229.298 2.458 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC001231655849 977668294 /nfs/dbraw/zinc/66/82/94/977668294.db2.gz CAIYLLNRNZAJRG-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@@](C)(O)CC2)c1 ZINC001231658539 977671313 /nfs/dbraw/zinc/67/13/13/977671313.db2.gz YKKROBAOAHMCFS-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)nc1 ZINC001336517103 977743956 /nfs/dbraw/zinc/74/39/56/977743956.db2.gz QOXHDRMWOUQEQO-KBPBESRZSA-N 1 0 243.354 2.348 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)[C@@H](C)C1CCC1 ZINC001492973518 1170025678 /nfs/dbraw/zinc/02/56/78/1170025678.db2.gz DRCDDLXJMYZWJL-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO N#C[C@@H]1CCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232011928 977838222 /nfs/dbraw/zinc/83/82/22/977838222.db2.gz PRCURFZVHQHENK-LBPRGKRZSA-N 1 0 226.283 2.051 20 30 BEEDRO N#C[C@H]1CCCCN1Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015901 977842946 /nfs/dbraw/zinc/84/29/46/977842946.db2.gz NVJNYVJFLSFHGY-CYBMUJFWSA-N 1 0 240.310 2.441 20 30 BEEDRO N#Cc1cc(Nc2[nH]cc[nH+]2)ccc1F ZINC001176082542 977880797 /nfs/dbraw/zinc/88/07/97/977880797.db2.gz BCCLXOSVZQMTOW-UHFFFAOYSA-N 1 0 202.192 2.164 20 30 BEEDRO N#Cc1ccc(F)cc1Nc1[nH]cc[nH+]1 ZINC001176085244 977888308 /nfs/dbraw/zinc/88/83/08/977888308.db2.gz ZLPXPZYQKIXLKV-UHFFFAOYSA-N 1 0 202.192 2.164 20 30 BEEDRO COc1cccc(Nc2[nH]cc[nH+]2)c1C#N ZINC001176085758 977891003 /nfs/dbraw/zinc/89/10/03/977891003.db2.gz XPMDYJBKXXDVHE-UHFFFAOYSA-N 1 0 214.228 2.034 20 30 BEEDRO COCC[N@H+](C)Cc1ccc(C#N)c(Cl)c1 ZINC001232110043 977895602 /nfs/dbraw/zinc/89/56/02/977895602.db2.gz JSAIFHNDWKAPSM-UHFFFAOYSA-N 1 0 238.718 2.290 20 30 BEEDRO Cc1cc(Nc2cccnc2C#N)cc(C)[nH+]1 ZINC001176053346 977900964 /nfs/dbraw/zinc/90/09/64/977900964.db2.gz ZEXXUUNTVOHKGA-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cc(Nc2c(N)cccc2C#N)cc(C)[nH+]1 ZINC001176060240 977909517 /nfs/dbraw/zinc/90/95/17/977909517.db2.gz NJYWQDFEIASXAK-UHFFFAOYSA-N 1 0 238.294 2.318 20 30 BEEDRO CC(C)[C@]1(CO)CC[N@@H+](C[C@H](C)CCC#N)C1 ZINC001336753975 977916155 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/nfs/dbraw/zinc/09/85/59/978098559.db2.gz OTTASVYCEFYRPG-PNESKVBLSA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1nnn(N=C[C@@H]2CC[C@@H](C)C2)c1C ZINC001336980846 978103709 /nfs/dbraw/zinc/10/37/09/978103709.db2.gz IEAAHMGUXPSVCL-LDYMZIIASA-N 1 0 206.293 2.165 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001337011157 978126119 /nfs/dbraw/zinc/12/61/19/978126119.db2.gz FUPUQGRMPDWLBB-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@@]1(C)CC[C@@H](OCC[NH+](C)C)C(C)(C)O1 ZINC001206278363 978143414 /nfs/dbraw/zinc/14/34/14/978143414.db2.gz MFHNCSNUBDIMKR-OCCSQVGLSA-N 1 0 241.375 2.467 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H](C2CC2)C[C@H]1C1CC1 ZINC001176650129 978155749 /nfs/dbraw/zinc/15/57/49/978155749.db2.gz PLIRKRWOYUOSNL-CQDKDKBSSA-N 1 0 248.370 2.426 20 30 BEEDRO CCOc1ccnc(CN2CCC(C#N)CC2)c1 ZINC001232579661 978184996 /nfs/dbraw/zinc/18/49/96/978184996.db2.gz PTEDGFMTMCFIIS-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO C=C(C)CCC(=O)NCC1(C)CC[NH+](C)CC1 ZINC001337164011 978191381 /nfs/dbraw/zinc/19/13/81/978191381.db2.gz ALKBKCKQFBVESC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001176995353 978266361 /nfs/dbraw/zinc/26/63/61/978266361.db2.gz KKRAMUQFIXQILO-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC1CC[NH+](Cc2cn(CCC)cn2)CC1 ZINC001232799875 978291303 /nfs/dbraw/zinc/29/13/03/978291303.db2.gz ZMBLESCMNFRYOY-UHFFFAOYSA-N 1 0 231.343 2.138 20 30 BEEDRO C#C[C@H](OCCC[NH+](C)C)c1ccccc1 ZINC001206296199 978297879 /nfs/dbraw/zinc/29/78/79/978297879.db2.gz KZTCWJJJQHCLRK-AWEZNQCLSA-N 1 0 217.312 2.329 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)OCCC[NH+](C)C ZINC001206296882 978302597 /nfs/dbraw/zinc/30/25/97/978302597.db2.gz QVNASVFOKYIJNG-LBPRGKRZSA-N 1 0 227.424 2.224 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](F)CC2)n1 ZINC001232922633 978334518 /nfs/dbraw/zinc/33/45/18/978334518.db2.gz SOXNBMJVCBUSJO-NSHDSACASA-N 1 0 233.290 2.277 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1CCN(C(C)=O)CC1 ZINC001204197642 978363610 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978683207 /nfs/dbraw/zinc/68/32/07/978683207.db2.gz BWEPHFMCWSDSMF-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C(C)C ZINC001277804981 978688769 /nfs/dbraw/zinc/68/87/69/978688769.db2.gz PBCNKWLRJMFEBZ-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](C)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC001338488322 978691529 /nfs/dbraw/zinc/69/15/29/978691529.db2.gz KSMUJALBKRZQCW-YPMHNXCESA-N 1 0 205.301 2.193 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC001338563054 978707013 /nfs/dbraw/zinc/70/70/13/978707013.db2.gz AXZPOYYESBYPMF-NJMOYASZSA-N 1 0 217.316 2.064 20 30 BEEDRO C=C(Cl)CN(C)CCCNC(=O)[C@H](C)CC ZINC001234115827 978779014 /nfs/dbraw/zinc/77/90/14/978779014.db2.gz MAZOKKVLOJHAIC-SNVBAGLBSA-N 1 0 246.782 2.223 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC001277838418 978790871 /nfs/dbraw/zinc/79/08/71/978790871.db2.gz MLJBZCOZJWYDRL-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCCCCCN1C[C@H]([NH3+])C[C@H](F)C1 ZINC001206405378 978794529 /nfs/dbraw/zinc/79/45/29/978794529.db2.gz QCOMNMIIJALBNF-QWHCGFSZSA-N 1 0 228.355 2.494 20 30 BEEDRO C#C[C@@H](CC)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234423423 978831910 /nfs/dbraw/zinc/83/19/10/978831910.db2.gz KEZISMCEGNRZBH-ZDUSSCGKSA-N 1 0 229.323 2.465 20 30 BEEDRO CCC[N@@H+]1CCCC[C@@H]1C(=O)OCCCC#N ZINC001339414836 978848441 /nfs/dbraw/zinc/84/84/41/978848441.db2.gz QRMSHZHXUYZJOZ-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO C=CCC[NH2+]C[C@]1(C)CN(C(=O)CC)C[C@H]1C ZINC001180348378 978864531 /nfs/dbraw/zinc/86/45/31/978864531.db2.gz KZYDZSDLAWVARZ-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C[C@]1(C)CN(C(C)=O)C[C@H]1C ZINC001180381426 978868409 /nfs/dbraw/zinc/86/84/09/978868409.db2.gz IELYFZNLRGYZTP-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C#Cc1ccc(NC[C@H]2CCC[N@@H+](CC)C2)nc1 ZINC001339558933 978871176 /nfs/dbraw/zinc/87/11/76/978871176.db2.gz GYMWHWKGHWUENE-CQSZACIVSA-N 1 0 243.354 2.207 20 30 BEEDRO Cc1nc(C)c(C[N@@H+]2CCC[C@H](C#N)CC2)[nH]1 ZINC001234636317 978879908 /nfs/dbraw/zinc/87/99/08/978879908.db2.gz WLXCDZTWKSMYDT-LBPRGKRZSA-N 1 0 232.331 2.152 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccccc2C=NO)C1 ZINC001234818528 978908049 /nfs/dbraw/zinc/90/80/49/978908049.db2.gz AROHCYCDUBTFLZ-CYBMUJFWSA-N 1 0 248.326 2.356 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(OC)cc1C ZINC001339872757 978931419 /nfs/dbraw/zinc/93/14/19/978931419.db2.gz YBGCCQPWJMXVSW-ZDUSSCGKSA-N 1 0 235.327 2.294 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@H](C)C1 ZINC001339922615 978939543 /nfs/dbraw/zinc/93/95/43/978939543.db2.gz JMIMQOUKJTULEK-XQQFMLRXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCCCCN1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235008596 978951110 /nfs/dbraw/zinc/95/11/10/978951110.db2.gz YDHNYJJIVVIWID-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001180948717 978969735 /nfs/dbraw/zinc/96/97/35/978969735.db2.gz GVTQSHUMUGWFDQ-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc(N2CCCC2)c1 ZINC001235097583 978972730 /nfs/dbraw/zinc/97/27/30/978972730.db2.gz WVOAAVXMWVSNNN-UHFFFAOYSA-N 1 0 228.339 2.352 20 30 BEEDRO CCCCCCC[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 ZINC001181133014 979009370 /nfs/dbraw/zinc/00/93/70/979009370.db2.gz MRJDOGPPRSLGBH-OLZOCXBDSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CCCCCCN1CCC[C@@H]2[NH2+]C[C@@H]21 ZINC001235294577 979010312 /nfs/dbraw/zinc/01/03/12/979010312.db2.gz HKMNSIIZJFUCSQ-STQMWFEESA-N 1 0 208.349 2.169 20 30 BEEDRO C#Cc1ccc(CN2CC[NH2+]C[C@H]2C(C)C)cc1 ZINC001235456241 979049319 /nfs/dbraw/zinc/04/93/19/979049319.db2.gz LCBLHCVCAWQZNZ-INIZCTEOSA-N 1 0 242.366 2.098 20 30 BEEDRO N#CCc1ccccc1C[N@H+]1CCCC[C@H]1CO ZINC001235511350 979058120 /nfs/dbraw/zinc/05/81/20/979058120.db2.gz GVEPSOULPPRNBL-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO CC1(O)CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235510810 979061362 /nfs/dbraw/zinc/06/13/62/979061362.db2.gz DCBOQFAOIRFKHH-UHFFFAOYSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530240 979071401 /nfs/dbraw/zinc/07/14/01/979071401.db2.gz TWVGLMXBKJVYLA-SWLSCSKDSA-N 1 0 244.338 2.098 20 30 BEEDRO CCCCCCCC[N@H+](C)C[C@H]1COCCN1 ZINC001235664332 979112774 /nfs/dbraw/zinc/11/27/74/979112774.db2.gz RBZDIAVOQZVKDI-AWEZNQCLSA-N 1 0 242.407 2.267 20 30 BEEDRO CCCCCCCNC(=O)C1=CCC[NH2+]CC1 ZINC001340818431 979117464 /nfs/dbraw/zinc/11/74/64/979117464.db2.gz UKSZAVYSKUCFJA-UHFFFAOYSA-N 1 0 238.375 2.383 20 30 BEEDRO CCCN(CCC#N)C[C@H]([NH3+])Cc1ccccc1 ZINC001235719422 979133635 /nfs/dbraw/zinc/13/36/35/979133635.db2.gz UGTPLILGAFJKNK-OAHLLOKOSA-N 1 0 245.370 2.182 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001340888282 979141306 /nfs/dbraw/zinc/14/13/06/979141306.db2.gz RJZKCTKLHPDBFE-QJPTWQEYSA-N 1 0 242.338 2.067 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC001340908318 979155249 /nfs/dbraw/zinc/15/52/49/979155249.db2.gz ZQXAUYPYHLNHRM-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CCN(C[C@H]([NH3+])CC)[C@@H]1CCc2ccccc21 ZINC001235834079 979162570 /nfs/dbraw/zinc/16/25/70/979162570.db2.gz KOGHTYGWRKPBAM-GDBMZVCRSA-N 1 0 242.366 2.346 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc2ccc(F)cc2[nH]c1=O ZINC001181645170 979203688 /nfs/dbraw/zinc/20/36/88/979203688.db2.gz AKPAVPGOKIDZCE-SECBINFHSA-N 1 0 244.269 2.191 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)C1CC(O)C1 ZINC001341092114 979226426 /nfs/dbraw/zinc/22/64/26/979226426.db2.gz CZFXMNZYBDMSJI-UHFFFAOYSA-N 1 0 244.338 2.130 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)CC1(O)CCC1 ZINC001341095664 979231843 /nfs/dbraw/zinc/23/18/43/979231843.db2.gz XAEHPQUUUJIFEI-UHFFFAOYSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCCCCCCN1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236018593 979311396 /nfs/dbraw/zinc/31/13/96/979311396.db2.gz VUCHSHWBCYGYHR-CHWSQXEVSA-N 1 0 208.349 2.156 20 30 BEEDRO C=CC[NH2+]CCN(CC)Cc1cccc(F)c1 ZINC001236042095 979334256 /nfs/dbraw/zinc/33/42/56/979334256.db2.gz LKEMAZMJWGHFJG-UHFFFAOYSA-N 1 0 236.334 2.423 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccncc2F)cc1 ZINC001181879895 979351112 /nfs/dbraw/zinc/35/11/12/979351112.db2.gz KRZFQVRMBPTWNI-UHFFFAOYSA-N 1 0 240.281 2.492 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)cc(C)n1 ZINC001341393385 979371251 /nfs/dbraw/zinc/37/12/51/979371251.db2.gz QCZHGSAKPATVJI-LBPRGKRZSA-N 1 0 202.301 2.152 20 30 BEEDRO C=CCCCCN(C)C[C@H]1CCCC[NH2+]1 ZINC001236085663 979372872 /nfs/dbraw/zinc/37/28/72/979372872.db2.gz UNQXPSSQOJUAOG-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001181937020 979373639 /nfs/dbraw/zinc/37/36/39/979373639.db2.gz WIFLNISWSMZPQA-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001181977577 979385445 /nfs/dbraw/zinc/38/54/45/979385445.db2.gz MKZJRFLKZWWMBE-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001181957148 979385732 /nfs/dbraw/zinc/38/57/32/979385732.db2.gz VUZGKVGYBGFKBD-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC001341445586 979403805 /nfs/dbraw/zinc/40/38/05/979403805.db2.gz CTTMADVVCMLXSX-GXTWGEPZSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@H]1CC ZINC001341463480 979412530 /nfs/dbraw/zinc/41/25/30/979412530.db2.gz FZKQOZQCQPDMOK-XQQFMLRXSA-N 1 0 238.375 2.317 20 30 BEEDRO C[C@H]([NH3+])CN1CCC(c2ccc(C#N)cc2)CC1 ZINC001236183256 979438412 /nfs/dbraw/zinc/43/84/12/979438412.db2.gz UYXYWXOQEDBWNB-LBPRGKRZSA-N 1 0 243.354 2.085 20 30 BEEDRO C=CCOc1cccc(CN2CC([NH3+])(CC)C2)c1 ZINC001236186834 979442208 /nfs/dbraw/zinc/44/22/08/979442208.db2.gz UERHLROFIMZMAR-UHFFFAOYSA-N 1 0 246.354 2.175 20 30 BEEDRO CCCCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001341545667 979461504 /nfs/dbraw/zinc/46/15/04/979461504.db2.gz GJHXNESWODTKDE-FRRDWIJNSA-N 1 0 238.375 2.356 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[NH2+][C@H]3C2)CC1 ZINC001236284368 979487882 /nfs/dbraw/zinc/48/78/82/979487882.db2.gz OMCRYSPRYNNJOQ-KFWWJZLASA-N 1 0 232.371 2.193 20 30 BEEDRO CCCCCCCCN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236289459 979496434 /nfs/dbraw/zinc/49/64/34/979496434.db2.gz ZSIQNWMSNZACSD-QWHCGFSZSA-N 1 0 210.365 2.251 20 30 BEEDRO CCCCCCCCN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236289462 979497063 /nfs/dbraw/zinc/49/70/63/979497063.db2.gz ZSIQNWMSNZACSD-STQMWFEESA-N 1 0 210.365 2.251 20 30 BEEDRO C=CCOCCCC(=O)Nc1ccccc1C[NH3+] ZINC001341670135 979516997 /nfs/dbraw/zinc/51/69/97/979516997.db2.gz CJSLMVJGPJZKCW-UHFFFAOYSA-N 1 0 248.326 2.067 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)CCCC[NH3+] ZINC001341789526 979560799 /nfs/dbraw/zinc/56/07/99/979560799.db2.gz YQPFHRRJZNZFCH-NWDGAFQWSA-N 1 0 226.364 2.222 20 30 BEEDRO CCN1CCC[C@@H]([NH2+]CC2(C#N)CCCC2)C1 ZINC001182683775 979611108 /nfs/dbraw/zinc/61/11/08/979611108.db2.gz GDMMIURTOIFLLC-CYBMUJFWSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C/C=C(/C)C=C ZINC001479238245 979680845 /nfs/dbraw/zinc/68/08/45/979680845.db2.gz WFDOAWVGQDKKFO-SVSAJMPUSA-N 1 0 248.370 2.228 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)N1C[C@H](C)CC12CC2 ZINC001183044210 979705156 /nfs/dbraw/zinc/70/51/56/979705156.db2.gz DPGTYXJKQVGAED-GFCCVEGCSA-N 1 0 248.370 2.039 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(F)c(F)c1C ZINC001237160940 979824273 /nfs/dbraw/zinc/82/42/73/979824273.db2.gz ILKGMHBPTVIAEP-UHFFFAOYSA-N 1 0 209.239 2.338 20 30 BEEDRO CCCCC[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000691640243 979824504 /nfs/dbraw/zinc/82/45/04/979824504.db2.gz AKPNHFDINJOGEB-NWDGAFQWSA-N 1 0 239.363 2.093 20 30 BEEDRO C=C1CCC(CNC(=O)C23CCC(CC2)[NH2+]3)CC1 ZINC001342579083 979832297 /nfs/dbraw/zinc/83/22/97/979832297.db2.gz UOQYJQMZFCHYPC-UHFFFAOYSA-N 1 0 248.370 2.134 20 30 BEEDRO C=CC[NH2+]CCN(C)[C@H]1CC[C@H](C)CC1 ZINC001237190176 979841547 /nfs/dbraw/zinc/84/15/47/979841547.db2.gz ZZFVJBMQMSLHCC-JOCQHMNTSA-N 1 0 210.365 2.273 20 30 BEEDRO C#CC[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1C ZINC001342655550 979854444 /nfs/dbraw/zinc/85/44/44/979854444.db2.gz FKBZOQPEYJBUGT-SNVBAGLBSA-N 1 0 242.278 2.211 20 30 BEEDRO Cc1ccnc(C[NH2+]C[C@@H](C)CCC#N)c1 ZINC001183597939 979855273 /nfs/dbraw/zinc/85/52/73/979855273.db2.gz WABWOSSNHXCHGP-LBPRGKRZSA-N 1 0 217.316 2.420 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](Cc2cccc(N)c2)CC1 ZINC001237222794 979856390 /nfs/dbraw/zinc/85/63/90/979856390.db2.gz RFGHHFQUGDDNQK-GFCCVEGCSA-N 1 0 229.327 2.394 20 30 BEEDRO C[C@@]1(CF)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC001237459489 979903926 /nfs/dbraw/zinc/90/39/26/979903926.db2.gz RGYAGTUSALPPJO-ZDUSSCGKSA-N 1 0 233.290 2.135 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)cc(OC)c1O ZINC001184115411 979955326 /nfs/dbraw/zinc/95/53/26/979955326.db2.gz GPGGBMOGKRLPRQ-UHFFFAOYSA-N 1 0 239.702 2.119 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CCOCC1)C1CC1 ZINC001184291725 980015935 /nfs/dbraw/zinc/01/59/35/980015935.db2.gz SPVCMCIFVAJETA-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC001343122469 980016244 /nfs/dbraw/zinc/01/62/44/980016244.db2.gz GEIXHRHPOFWRAV-OLZOCXBDSA-N 1 0 240.391 2.421 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(OC)c1O)C(C)C ZINC001343284169 980059558 /nfs/dbraw/zinc/05/95/58/980059558.db2.gz GUUGNPQENAHODF-UHFFFAOYSA-N 1 0 233.311 2.244 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC001343375015 980085959 /nfs/dbraw/zinc/08/59/59/980085959.db2.gz GOYPHLNCMYZJCB-AWEZNQCLSA-N 1 0 232.327 2.167 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@]12CCN(CC=C)C2=O ZINC001273486879 980096891 /nfs/dbraw/zinc/09/68/91/980096891.db2.gz QMVWYPFXXHCVMB-HNNXBMFYSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CCN1CC[NH+](Cc2ccsc2C)CC1 ZINC001237967343 980121950 /nfs/dbraw/zinc/12/19/50/980121950.db2.gz VUKQFQSZXNLQIF-UHFFFAOYSA-N 1 0 236.384 2.360 20 30 BEEDRO COc1ccc(C#N)cc1CC[NH+]1CCCC1 ZINC001250166878 980128895 /nfs/dbraw/zinc/12/88/95/980128895.db2.gz UHNVACLONSDIGP-UHFFFAOYSA-N 1 0 230.311 2.205 20 30 BEEDRO C[NH+](C)CCCc1ccccc1OCC#N ZINC001250165165 980135503 /nfs/dbraw/zinc/13/55/03/980135503.db2.gz UPQNEAUEOVOJQY-UHFFFAOYSA-N 1 0 218.300 2.083 20 30 BEEDRO C=CCO[C@H]1CCN(c2cc[nH+]c(C)c2)C1 ZINC001343544623 980148800 /nfs/dbraw/zinc/14/88/00/980148800.db2.gz RRPXAOYTCRFQSN-ZDUSSCGKSA-N 1 0 218.300 2.171 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([NH2+]CC(C)C)C1 ZINC001185280598 980207429 /nfs/dbraw/zinc/20/74/29/980207429.db2.gz SBOXYUDAUREDRG-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC1(C(=O)N2CC[C@@H]([NH2+]CC=C)C2)CC1 ZINC001185438463 980226856 /nfs/dbraw/zinc/22/68/56/980226856.db2.gz ASPDNBYROQEPCK-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCC[C@H](C)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001343745683 980231263 /nfs/dbraw/zinc/23/12/63/980231263.db2.gz QOBPPWRHCIXQSK-QWHCGFSZSA-N 1 0 237.343 2.204 20 30 BEEDRO C=CC[N@@H+](C)Cc1cncc(OC(C)C)c1 ZINC001238466928 980272420 /nfs/dbraw/zinc/27/24/20/980272420.db2.gz DTGRSIQDCKSXJZ-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO C[NH+](C)CCSc1ccc(Cl)c(C#N)n1 ZINC001185792854 980285611 /nfs/dbraw/zinc/28/56/11/980285611.db2.gz IVAAILJPBZETHZ-UHFFFAOYSA-N 1 0 241.747 2.260 20 30 BEEDRO CCc1cc(C[N@@H+]2CC[C@H](OC)C2)ccc1C#N ZINC001238767426 980321313 /nfs/dbraw/zinc/32/13/13/980321313.db2.gz UYSSSMHJCCIDSX-HNNXBMFYSA-N 1 0 244.338 2.341 20 30 BEEDRO C=C[C@H](CC)CC(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC001344049918 980327831 /nfs/dbraw/zinc/32/78/31/980327831.db2.gz HKNXCRBTYDZLPY-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO CC[N@@H+]1CCC[C@@H]1CNc1cccc(CC#N)n1 ZINC001344109297 980348902 /nfs/dbraw/zinc/34/89/02/980348902.db2.gz DHDRXDBLORMTPM-CYBMUJFWSA-N 1 0 244.342 2.044 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001110377920 980355704 /nfs/dbraw/zinc/35/57/04/980355704.db2.gz YQXQXPVCNSHOJP-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccccc1-n1cccn1 ZINC000154762986 980357551 /nfs/dbraw/zinc/35/75/51/980357551.db2.gz CSMJAKTUOZUNOW-UHFFFAOYSA-N 1 0 227.311 2.490 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc3nonc32)CC1 ZINC001203140845 980375984 /nfs/dbraw/zinc/37/59/84/980375984.db2.gz TWANTMZGSRPWOZ-UHFFFAOYSA-N 1 0 241.294 2.068 20 30 BEEDRO C=CCOc1cc(C)nc(C2=CCC[NH2+]CC2)n1 ZINC001238939178 980377296 /nfs/dbraw/zinc/37/72/96/980377296.db2.gz UELVBNAPEBGADF-UHFFFAOYSA-N 1 0 245.326 2.117 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)/C(C)=C/CC)[C@@H]2C1 ZINC001187093749 980480709 /nfs/dbraw/zinc/48/07/09/980480709.db2.gz XDMBURLEOJCASP-GNZFURHMSA-N 1 0 248.370 2.061 20 30 BEEDRO C#CCC1(OC(=O)[C@@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001344869656 980489850 /nfs/dbraw/zinc/48/98/50/980489850.db2.gz DORNGZZOSUFWLA-ZDUSSCGKSA-N 1 0 249.354 2.348 20 30 BEEDRO CCCCCCCNC(=O)NCC[C@@H]([NH3+])CC ZINC001239233214 980502224 /nfs/dbraw/zinc/50/22/24/980502224.db2.gz ISUYKVOHSWBLNV-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCNC(=O)NCC[C@H]([NH3+])CC ZINC001239233213 980502418 /nfs/dbraw/zinc/50/24/18/980502418.db2.gz ISUYKVOHSWBLNV-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCCOC(=O)NC[C@H]1CC[NH2+]1 ZINC001239319863 980531436 /nfs/dbraw/zinc/53/14/36/980531436.db2.gz UPTKELDOHXSVLY-GFCCVEGCSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCNC(=S)NCC[C@H](C)[NH3+] ZINC001239377360 980553793 /nfs/dbraw/zinc/55/37/93/980553793.db2.gz FSINSYIQIDXIJC-NSHDSACASA-N 1 0 245.436 2.158 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001345526360 980625008 /nfs/dbraw/zinc/62/50/08/980625008.db2.gz RITHFOWMBOJSCT-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccco2)C1 ZINC001188641936 980686580 /nfs/dbraw/zinc/68/65/80/980686580.db2.gz LYMOHMGYGJPWIF-GFCCVEGCSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC001188869702 980712644 /nfs/dbraw/zinc/71/26/44/980712644.db2.gz JWZZLDDVHLPLOK-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([N@H+](C)CCC=C)C1 ZINC001189317699 980771042 /nfs/dbraw/zinc/77/10/42/980771042.db2.gz BLYNDELMDLYGCU-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC001346219416 980788988 /nfs/dbraw/zinc/78/89/88/980788988.db2.gz DWZKWNBMYIJKDQ-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001189500640 980794930 /nfs/dbraw/zinc/79/49/30/980794930.db2.gz XBOAKESOQMYMKT-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H](F)C1 ZINC001346351939 980817029 /nfs/dbraw/zinc/81/70/29/980817029.db2.gz AQYHXBHXNDKKFD-SRVKXCTJSA-N 1 0 242.338 2.157 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)CC[NH+]1CCCC1 ZINC001346412076 980830592 /nfs/dbraw/zinc/83/05/92/980830592.db2.gz WVDLRQIYSPHFEM-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1nccc(C#N)n1 ZINC001239679900 980839835 /nfs/dbraw/zinc/83/98/35/980839835.db2.gz FRCHCIMFIIWNFA-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)CCCC[NH+](C)C ZINC001346474171 980847380 /nfs/dbraw/zinc/84/73/80/980847380.db2.gz YRZRHTWWODBOJV-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc(CC)c1O ZINC001346541295 980857049 /nfs/dbraw/zinc/85/70/49/980857049.db2.gz UKAMSOFLBPRTDB-CYBMUJFWSA-N 1 0 235.327 2.245 20 30 BEEDRO C=CC[C@H](CO)CNC(=[NH2+])Nc1ccc(C)cc1 ZINC001346588557 980865473 /nfs/dbraw/zinc/86/54/73/980865473.db2.gz IDGJIKUOLGTOCH-LBPRGKRZSA-N 1 0 247.342 2.116 20 30 BEEDRO C=CCCC[NH+]1CCC(OCCOCC)CC1 ZINC001190355600 980868383 /nfs/dbraw/zinc/86/83/83/980868383.db2.gz AVWHIMKWZRJSRS-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H]([N@@H+](C)CC)C1 ZINC001190388235 980868970 /nfs/dbraw/zinc/86/89/70/980868970.db2.gz LZUCMWXYNOZKMB-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001191056550 980959962 /nfs/dbraw/zinc/95/99/62/980959962.db2.gz DLRPZEWUYYZFFG-GJZGRUSLSA-N 1 0 234.387 2.349 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC001347172374 981002083 /nfs/dbraw/zinc/00/20/83/981002083.db2.gz VGCDLUXXGFNOOX-ZDUSSCGKSA-N 1 0 235.327 2.300 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C(C)C ZINC001347192346 981007521 /nfs/dbraw/zinc/00/75/21/981007521.db2.gz CQNYPAZZGSXPOM-PBHICJAKSA-N 1 0 249.379 2.171 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)C(C)C ZINC001347192349 981009288 /nfs/dbraw/zinc/00/92/88/981009288.db2.gz CQNYPAZZGSXPOM-YOEHRIQHSA-N 1 0 249.379 2.171 20 30 BEEDRO C#CC[C@H](C)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC001347216677 981012609 /nfs/dbraw/zinc/01/26/09/981012609.db2.gz GFVFSTIYASJETF-LBPRGKRZSA-N 1 0 245.322 2.317 20 30 BEEDRO C#CC[C@@H](C)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC001347216675 981013399 /nfs/dbraw/zinc/01/33/99/981013399.db2.gz GFVFSTIYASJETF-GFCCVEGCSA-N 1 0 245.322 2.317 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C\C)C2 ZINC001110437696 981035386 /nfs/dbraw/zinc/03/53/86/981035386.db2.gz ZCZGUTZQLINKDO-GEMYPJNZSA-N 1 0 248.370 2.250 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C/C=C(\C)C=C)C1 ZINC001191790225 981087520 /nfs/dbraw/zinc/08/75/20/981087520.db2.gz LBWJALCSZASJDG-WTWVRAIASA-N 1 0 248.370 2.228 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001191912353 981094117 /nfs/dbraw/zinc/09/41/17/981094117.db2.gz NUKVWYLKLYXJHR-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@H](C[NH+](C)C)OCc1ccccc1C#N ZINC001205584980 981135195 /nfs/dbraw/zinc/13/51/95/981135195.db2.gz KOBRXPBVXRMZNV-NSHDSACASA-N 1 0 218.300 2.025 20 30 BEEDRO N#Cc1ccc(-c2cc(N)cc[nH+]2)cc1F ZINC001240138841 981138478 /nfs/dbraw/zinc/13/84/78/981138478.db2.gz KUGTWHPIFTUHON-UHFFFAOYSA-N 1 0 213.215 2.342 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccnc1N(C)C ZINC001347888889 981207796 /nfs/dbraw/zinc/20/77/96/981207796.db2.gz JWMSGKNNMAIBMH-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C[NH+](C)Cc1ccc(-c2ncc(C#N)cn2)cc1 ZINC001250507413 981276783 /nfs/dbraw/zinc/27/67/83/981276783.db2.gz IZEABXCLGVCZJX-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO N#Cc1cc2ccccc2nc1C1=CC[NH2+]CC1 ZINC001240465833 981396341 /nfs/dbraw/zinc/39/63/41/981396341.db2.gz TWVIIXJZOQLQHW-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC001348739114 981431261 /nfs/dbraw/zinc/43/12/61/981431261.db2.gz VRVJBOXTHSNGML-CYBMUJFWSA-N 1 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C=CCNC(=[NH2+])NCCCCOc1ccccc1 ZINC001349909468 981808918 /nfs/dbraw/zinc/80/89/18/981808918.db2.gz BACSIKPNEJZHJB-UHFFFAOYSA-N 1 0 247.342 2.146 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[C@H]1C ZINC001584120678 981854827 /nfs/dbraw/zinc/85/48/27/981854827.db2.gz RPPYWJYLRKHVOG-YPMHNXCESA-N 1 0 238.375 2.047 20 30 BEEDRO CC#CC[N@H+](C)CCCc1scnc1C ZINC001194745735 981863100 /nfs/dbraw/zinc/86/31/00/981863100.db2.gz MPXPEPMDBDJUQU-UHFFFAOYSA-N 1 0 222.357 2.339 20 30 BEEDRO C=CCOc1cc(C)nc(C=C2CC[NH2+]CC2)n1 ZINC001240874747 981919293 /nfs/dbraw/zinc/91/92/93/981919293.db2.gz XBXJXHFWFBGOKJ-UHFFFAOYSA-N 1 0 245.326 2.117 20 30 BEEDRO Cc1cc(C#N)cc(C=C2CC[NH2+]CC2)n1 ZINC001240874848 981919329 /nfs/dbraw/zinc/91/93/29/981919329.db2.gz BKJKDPOZTRATSV-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO N#CCc1cnc(F)c(C=C2CC[NH2+]CC2)c1 ZINC001240877720 981928306 /nfs/dbraw/zinc/92/83/06/981928306.db2.gz OBSCWTHUYKLUOY-UHFFFAOYSA-N 1 0 231.274 2.054 20 30 BEEDRO CCC[C@H](C)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC001350330382 981930467 /nfs/dbraw/zinc/93/04/67/981930467.db2.gz VAJVNUJXPRUUGG-IHRRRGAJSA-N 1 0 237.391 2.341 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1F ZINC001350329710 981931134 /nfs/dbraw/zinc/93/11/34/981931134.db2.gz LITBQLOXNRQPMU-GXTWGEPZSA-N 1 0 249.329 2.121 20 30 BEEDRO C=CC[C@H]1N(Cc2nc[nH]n2)CCCC1(C)C ZINC001350370701 981946629 /nfs/dbraw/zinc/94/66/29/981946629.db2.gz FKQVWAQAPWQMNF-LLVKDONJSA-N 1 0 234.347 2.371 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC001586480636 981997234 /nfs/dbraw/zinc/99/72/34/981997234.db2.gz LQTJEKKWPVAFIL-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C/C(=[NH+]\COC)c1cccc(N(C)C)c1 ZINC001240983846 982064280 /nfs/dbraw/zinc/06/42/80/982064280.db2.gz PUVGGCPDGJCKPJ-BUHFOSPRSA-N 1 0 218.300 2.332 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)O[C@H](C)CC ZINC001195150763 982136058 /nfs/dbraw/zinc/13/60/58/982136058.db2.gz LYCQKOWQKDNLGX-NEPJUHHUSA-N 1 0 240.347 2.162 20 30 BEEDRO COC1([C@@H](C)[NH2+]Cc2cc(C#N)ccn2)CCC1 ZINC001195195622 982150525 /nfs/dbraw/zinc/15/05/25/982150525.db2.gz CXWXKQYWTUPBIC-LLVKDONJSA-N 1 0 245.326 2.000 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH+]2CCC(C#N)CC2)C1 ZINC000079840271 982150801 /nfs/dbraw/zinc/15/08/01/982150801.db2.gz LNHZDKJKMUFAHJ-CHWSQXEVSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CCC[C@H]([N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000079828379 982151716 /nfs/dbraw/zinc/15/17/16/982151716.db2.gz XGVYBDYOFBUBKI-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCC(=O)N1CCC[N@@H+](CCC=C)CC1 ZINC001195233018 982152355 /nfs/dbraw/zinc/15/23/55/982152355.db2.gz PYJFACYGXRGNKV-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO Cc1cc(C)c(C#N)c(C2=CC[N@H+](C)CC2)n1 ZINC001241307810 982444989 /nfs/dbraw/zinc/44/49/89/982444989.db2.gz KOQCFFREDPEYLM-UHFFFAOYSA-N 1 0 227.311 2.289 20 30 BEEDRO C[N@H+]1CC=C(c2ccccc2CC#N)CC1 ZINC001241321749 982481335 /nfs/dbraw/zinc/48/13/35/982481335.db2.gz CSIGNGBBXGWDEG-UHFFFAOYSA-N 1 0 212.296 2.472 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC001352189178 982488320 /nfs/dbraw/zinc/48/83/20/982488320.db2.gz JZHVGFIPXYTSCX-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C[N@H+]1CC=C(c2cnc3[nH]cc(C#N)c3c2)CC1 ZINC001241327525 982488955 /nfs/dbraw/zinc/48/89/55/982488955.db2.gz NSZXQTQEPNMBNI-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc2c(c1)CCC2 ZINC000716838582 982570125 /nfs/dbraw/zinc/57/01/25/982570125.db2.gz JVYVAERAGWMRFL-INIZCTEOSA-N 1 0 243.350 2.303 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH3+])N(Cc2cccc(C#N)c2)C1 ZINC001205806600 982570935 /nfs/dbraw/zinc/57/09/35/982570935.db2.gz URXQTUCBVBTIBZ-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2cccc(C#N)c2)C1 ZINC001205806586 982571602 /nfs/dbraw/zinc/57/16/02/982571602.db2.gz URXQTUCBVBTIBZ-DOMZBBRYSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2cccc(C#N)c2)C1 ZINC001205806596 982572769 /nfs/dbraw/zinc/57/27/69/982572769.db2.gz URXQTUCBVBTIBZ-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO N#Cc1ccc(-c2ccc(CC[NH3+])cc2)cn1 ZINC001241434450 982587072 /nfs/dbraw/zinc/58/70/72/982587072.db2.gz UNUVRUGZQNMRDQ-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC001352862007 982609581 /nfs/dbraw/zinc/60/95/81/982609581.db2.gz LAAFLGDHKNXJON-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCCC(=O)NCC1CC([NH2+]CC(C)C)C1 ZINC001100169267 982629983 /nfs/dbraw/zinc/62/99/83/982629983.db2.gz LGQZCAWVXFJBOR-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)/C(C)=C/C ZINC001480442210 982683274 /nfs/dbraw/zinc/68/32/74/982683274.db2.gz QPNHPOAZLDLSLG-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)/C(C)=C\C ZINC001480442209 982683577 /nfs/dbraw/zinc/68/35/77/982683577.db2.gz QPNHPOAZLDLSLG-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)C[NH2+]C1CC(CNC(=O)/C=C/C2CC2)C1 ZINC001100218573 982693845 /nfs/dbraw/zinc/69/38/45/982693845.db2.gz BVJQCNQNZIRSCC-AATRIKPKSA-N 1 0 248.370 2.013 20 30 BEEDRO C=CCC[C@@H]1CCC[N@@H+]1C[C@H]1CCOC1 ZINC001198414233 982704846 /nfs/dbraw/zinc/70/48/46/982704846.db2.gz ITDFYAALGILUGL-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO CCCCCCCC[NH2+][C@@H](C)c1nnnn1C ZINC001198451782 982731970 /nfs/dbraw/zinc/73/19/70/982731970.db2.gz UWMOPLRWIIWHJZ-NSHDSACASA-N 1 0 239.367 2.221 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)CC1CCCC1 ZINC001198526438 982745766 /nfs/dbraw/zinc/74/57/66/982745766.db2.gz TWUPKLNPZUVFJI-HUUCEWRRSA-N 1 0 235.371 2.415 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC1CC1)C(C)C ZINC001353181798 982750199 /nfs/dbraw/zinc/75/01/99/982750199.db2.gz CSRYOIVZWFYKOQ-ZDUSSCGKSA-N 1 0 238.375 2.317 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CCCC#N ZINC001198622748 982825189 /nfs/dbraw/zinc/82/51/89/982825189.db2.gz NMYGYEXNLJLDHA-CABCVRRESA-N 1 0 249.402 2.485 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccccc2C=NO)C1 ZINC001241572445 982827559 /nfs/dbraw/zinc/82/75/59/982827559.db2.gz WJTZPASRHHJAPM-UHFFFAOYSA-N 1 0 216.284 2.214 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C(C)(C)C ZINC001353350409 982845834 /nfs/dbraw/zinc/84/58/34/982845834.db2.gz CSJNBWCXFPFZFF-CABCVRRESA-N 1 0 245.366 2.228 20 30 BEEDRO CC(C)(C)[C@@H]1CC[N@H+](CCCC#N)CCO1 ZINC001198801309 982846365 /nfs/dbraw/zinc/84/63/65/982846365.db2.gz QHTMETNXPHDOOY-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO SCc1cccc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241614547 982849297 /nfs/dbraw/zinc/84/92/97/982849297.db2.gz JKORGOOGKMRVHL-UHFFFAOYSA-N 1 0 245.351 2.124 20 30 BEEDRO CC[N@H+](C)[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC001198882618 982872809 /nfs/dbraw/zinc/87/28/09/982872809.db2.gz OFDKMRKOUDBFGJ-HUUCEWRRSA-N 1 0 243.354 2.277 20 30 BEEDRO C=CCCC[NH2+]C1CCN(C(=O)CCC)CC1 ZINC001199098861 982889020 /nfs/dbraw/zinc/88/90/20/982889020.db2.gz XNBFPOZYTPQDKG-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC001353605688 982921003 /nfs/dbraw/zinc/92/10/03/982921003.db2.gz MFZYOAYJBGVWBW-MGPQQGTHSA-N 1 0 225.376 2.421 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001480533535 982958246 /nfs/dbraw/zinc/95/82/46/982958246.db2.gz WDCTVLWVWACZFU-JSGCOSHPSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)/C(C)=C\C ZINC001152666828 982960961 /nfs/dbraw/zinc/96/09/61/982960961.db2.gz ZSOWUAMRGKXHLQ-FFXRNRBCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001353700160 982974685 /nfs/dbraw/zinc/97/46/85/982974685.db2.gz GCQJRJOAEVFQKK-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H](C)C1 ZINC001353833792 983020798 /nfs/dbraw/zinc/02/07/98/983020798.db2.gz UAYHEADSAVXMOH-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC001353882674 983046355 /nfs/dbraw/zinc/04/63/55/983046355.db2.gz MFKIEBXXTBOCRQ-WCQYABFASA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)C[C@@H]1C=CCC1 ZINC001273833739 983091447 /nfs/dbraw/zinc/09/14/47/983091447.db2.gz RIYITLKXRSYRTP-VBROQKIQSA-N 1 0 248.370 2.181 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)c1ccccc1 ZINC001494935038 983095505 /nfs/dbraw/zinc/09/55/05/983095505.db2.gz XRYKCYRTISHDMZ-AWEZNQCLSA-N 1 0 246.354 2.361 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC001200526492 983110628 /nfs/dbraw/zinc/11/06/28/983110628.db2.gz SDUVKPSJJDOKAL-JTQLQIEISA-N 1 0 249.310 2.478 20 30 BEEDRO Cc1ccnc(-c2ccc(C[NH3+])cc2)c1C#N ZINC001241910891 983126087 /nfs/dbraw/zinc/12/60/87/983126087.db2.gz BDQXRFZFCBTYBP-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO COc1nc(-c2ccc(C[NH3+])cc2)ccc1C#N ZINC001241912472 983127629 /nfs/dbraw/zinc/12/76/29/983127629.db2.gz MEGHXBDNJPXPNP-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)/C=C(/C)C1CC1 ZINC001273878830 983131112 /nfs/dbraw/zinc/13/11/12/983131112.db2.gz GDGVYHJGIHHFJO-ODPUXILVSA-N 1 0 248.370 2.181 20 30 BEEDRO C#Cc1cccc(-c2cnc3c(c2)C[NH2+]CC3)c1 ZINC001241919483 983141495 /nfs/dbraw/zinc/14/14/95/983141495.db2.gz INXIADBGEHLNPG-UHFFFAOYSA-N 1 0 234.302 2.376 20 30 BEEDRO C=C1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC001354108817 983159082 /nfs/dbraw/zinc/15/90/82/983159082.db2.gz HDXRRBRLWLULHI-UHFFFAOYSA-N 1 0 244.342 2.094 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2[nH]c(CC)nc2C)C1 ZINC001203246654 983205739 /nfs/dbraw/zinc/20/57/39/983205739.db2.gz JQTCOJXWAUZHLI-LBPRGKRZSA-N 1 0 231.343 2.126 20 30 BEEDRO Cc1cc(C#N)cnc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242020726 983228790 /nfs/dbraw/zinc/22/87/90/983228790.db2.gz WIOIWFPHKYVLQK-OLZOCXBDSA-N 1 0 225.295 2.169 20 30 BEEDRO N#CCc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC001242023792 983233011 /nfs/dbraw/zinc/23/30/11/983233011.db2.gz ISEYWVNJBBORTD-KGLIPLIRSA-N 1 0 225.295 2.055 20 30 BEEDRO N#CCOc1ccccc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242025907 983234872 /nfs/dbraw/zinc/23/48/72/983234872.db2.gz BMBXHHOOSKRKCL-OLZOCXBDSA-N 1 0 240.306 2.497 20 30 BEEDRO N#Cc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cnc1F ZINC001242027109 983239390 /nfs/dbraw/zinc/23/93/90/983239390.db2.gz ZJBQWRZVRQKZBG-NEPJUHHUSA-N 1 0 229.258 2.000 20 30 BEEDRO N#CCc1cc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC001242026466 983239771 /nfs/dbraw/zinc/23/97/71/983239771.db2.gz SQSPXCJYJISSMS-KGLIPLIRSA-N 1 0 225.295 2.055 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[C@@H]([NH3+])C(C)C ZINC001354320095 983279904 /nfs/dbraw/zinc/27/99/04/983279904.db2.gz YRGLJAMRAXAVEW-NWDGAFQWSA-N 1 0 226.364 2.078 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC1CC([NH2+]CC)C1 ZINC001100568195 983306660 /nfs/dbraw/zinc/30/66/60/983306660.db2.gz VDXXIZSUUJKHRM-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)C(=O)NCC1CC([NH2+]C(C)C)C1 ZINC001100569365 983309094 /nfs/dbraw/zinc/30/90/94/983309094.db2.gz YIWSCAJZARTKTM-UHFFFAOYSA-N 1 0 238.375 2.091 20 30 BEEDRO COc1ccc(C#N)cc1Nc1c(C)[nH+]cn1C ZINC001201582014 983345619 /nfs/dbraw/zinc/34/56/19/983345619.db2.gz JZSDEIBBVBDVEF-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO COc1ccc(C#N)cc1Nc1c[nH+]c(C)n1C ZINC001201585329 983346901 /nfs/dbraw/zinc/34/69/01/983346901.db2.gz JVMYYKBDSANGIU-UHFFFAOYSA-N 1 0 242.282 2.352 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)c1ccc(O)cc1 ZINC001354714720 983347611 /nfs/dbraw/zinc/34/76/11/983347611.db2.gz UTPVVYQVGQYKCN-VXGBXAGGSA-N 1 0 245.322 2.165 20 30 BEEDRO C#CCn1ccc(C[N@H+](CC)CC2CC(C)C2)n1 ZINC001354726480 983350938 /nfs/dbraw/zinc/35/09/38/983350938.db2.gz RNWXMZZYLINPQK-UHFFFAOYSA-N 1 0 245.370 2.384 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)[C@H](C)C2CC2)n1 ZINC001354725579 983351965 /nfs/dbraw/zinc/35/19/65/983351965.db2.gz KGNINPGQQIVPTC-GFCCVEGCSA-N 1 0 231.343 2.137 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(C#N)cc2)C1 ZINC001201590364 983354232 /nfs/dbraw/zinc/35/42/32/983354232.db2.gz XCZZHOODCBHHCN-CQSZACIVSA-N 1 0 230.311 2.421 20 30 BEEDRO C=CCO[C@@H]1CO[C@]2(C1)CCC[N@@H+](CCC)C2 ZINC001201641300 983393133 /nfs/dbraw/zinc/39/31/33/983393133.db2.gz KFBLUQUWEZETQX-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC1CC([NH2+]CC)C1 ZINC001100712854 983393299 /nfs/dbraw/zinc/39/32/99/983393299.db2.gz IMMLRGRXOYWVMH-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCC[NH+]1CC2(CN(C)C2)C1 ZINC001201804974 983482753 /nfs/dbraw/zinc/48/27/53/983482753.db2.gz WWJOCLHOEOHILB-UHFFFAOYSA-N 1 0 210.365 2.204 20 30 BEEDRO CCCCCCCC[NH+]1CC(C(=O)N(C)C)C1 ZINC001201825649 983486086 /nfs/dbraw/zinc/48/60/86/983486086.db2.gz BIYMOPVBXLBLCF-UHFFFAOYSA-N 1 0 240.391 2.367 20 30 BEEDRO CCCCCCCC[NH+]1CCN(C(N)=O)CC1 ZINC001201826086 983489806 /nfs/dbraw/zinc/48/98/06/983489806.db2.gz MPPHWHQCKJMPCB-UHFFFAOYSA-N 1 0 241.379 2.043 20 30 BEEDRO N#Cc1cncc(-c2ccccc2CC[NH3+])c1 ZINC001242274340 983498485 /nfs/dbraw/zinc/49/84/85/983498485.db2.gz MKFNIRHFVBLAFQ-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO C#Cc1ccc(-c2ccc3c(n2)C[NH2+]CC3)cc1 ZINC001242294086 983519832 /nfs/dbraw/zinc/51/98/32/983519832.db2.gz VXFDLDLBQMNJCX-UHFFFAOYSA-N 1 0 234.302 2.376 20 30 BEEDRO C#Cc1ccc(-c2ncc(C)c(C3C[NH2+]C3)n2)cc1 ZINC001242293779 983519889 /nfs/dbraw/zinc/51/98/89/983519889.db2.gz PYMZYIRYYQQPKH-UHFFFAOYSA-N 1 0 249.317 2.120 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cccnc2C#N)cc1 ZINC001242311869 983542998 /nfs/dbraw/zinc/54/29/98/983542998.db2.gz KBKRELNBLGHZLY-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO N#Cc1ncccc1-c1ccccc1CC[NH3+] ZINC001242312430 983544853 /nfs/dbraw/zinc/54/48/53/983544853.db2.gz IUVVFYXGLJYGJC-UHFFFAOYSA-N 1 0 223.279 2.121 20 30 BEEDRO C[C@H]([NH3+])c1ccc(-c2cccnc2C#N)cn1 ZINC001242314039 983549804 /nfs/dbraw/zinc/54/98/04/983549804.db2.gz OQNDPVUFTZLUIJ-VIFPVBQESA-N 1 0 224.267 2.035 20 30 BEEDRO O=C1C=C2C[N@@H+](CC3CCCC3)CCC2S1 ZINC001202139029 983571700 /nfs/dbraw/zinc/57/17/00/983571700.db2.gz LLDFESKJWHZPGG-LBPRGKRZSA-N 1 0 237.368 2.451 20 30 BEEDRO C#C[C@H](CCC)[NH2+]CCC(=O)Nc1ccccc1 ZINC001356629822 983647086 /nfs/dbraw/zinc/64/70/86/983647086.db2.gz SFWRGICUYAPSAN-CYBMUJFWSA-N 1 0 244.338 2.407 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](NC(=O)C=C(C)C)C12CCC2 ZINC001202393756 983654545 /nfs/dbraw/zinc/65/45/45/983654545.db2.gz BPIBSYBKZSBOIE-OLZOCXBDSA-N 1 0 248.370 2.156 20 30 BEEDRO CC(C)(F)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001357166975 983669287 /nfs/dbraw/zinc/66/92/87/983669287.db2.gz QVAVGCYWTKIJMU-JTQLQIEISA-N 1 0 230.327 2.015 20 30 BEEDRO CC(C)(F)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC001357166976 983669912 /nfs/dbraw/zinc/66/99/12/983669912.db2.gz QVAVGCYWTKIJMU-SNVBAGLBSA-N 1 0 230.327 2.015 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CC[C@@](C)(CC)C1 ZINC001357308819 983690017 /nfs/dbraw/zinc/69/00/17/983690017.db2.gz KQEHSHYIUWDDLY-TZMCWYRMSA-N 1 0 238.375 2.319 20 30 BEEDRO CCCC[C@@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001252113420 983695101 /nfs/dbraw/zinc/69/51/01/983695101.db2.gz ZGCYZPPSTRCVJZ-FRRDWIJNSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C)CC)C1 ZINC001488811608 983696548 /nfs/dbraw/zinc/69/65/48/983696548.db2.gz FUTNBACQZMZAFN-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C)CCC)C1 ZINC001488818205 983696769 /nfs/dbraw/zinc/69/67/69/983696769.db2.gz LUPOVMIANYTIJS-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@H]1C[C@H](O)C1 ZINC001252132676 983715092 /nfs/dbraw/zinc/71/50/92/983715092.db2.gz BBLHBSRRVYXOJA-IHRRRGAJSA-N 1 0 243.391 2.211 20 30 BEEDRO C=CCCCN(CC)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC001357514512 983733064 /nfs/dbraw/zinc/73/30/64/983733064.db2.gz GHFWSYQZUTWJAL-NWDGAFQWSA-N 1 0 241.379 2.110 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccncc1F ZINC000852103601 983754967 /nfs/dbraw/zinc/75/49/67/983754967.db2.gz LTIVYBBKSWJNAO-LBPRGKRZSA-N 1 0 206.264 2.112 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC1(C)CCC1 ZINC000852749445 983758259 /nfs/dbraw/zinc/75/82/59/983758259.db2.gz YIBKBNUTVTUXEX-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C1=CCC[NH2+]CC1 ZINC001357913805 983802942 /nfs/dbraw/zinc/80/29/42/983802942.db2.gz UVAJGWJQHBIGRH-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C[C@](C)(O)CNc1cc(C)[nH+]c2ccccc12 ZINC001252539817 983805398 /nfs/dbraw/zinc/80/53/98/983805398.db2.gz YHPUXCADLIZQTF-HNNXBMFYSA-N 1 0 242.322 2.314 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCc2ccc(C)cc2C1 ZINC001252541499 983806677 /nfs/dbraw/zinc/80/66/77/983806677.db2.gz MPQKRIZLSRLYMJ-HNNXBMFYSA-N 1 0 231.339 2.290 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](CC)Cc1ccccc1 ZINC001252541720 983808316 /nfs/dbraw/zinc/80/83/16/983808316.db2.gz RROYMHLBZROUEQ-CQSZACIVSA-N 1 0 219.328 2.446 20 30 BEEDRO C=C[C@](C)(O)CNc1cccnc1N1CCCC1 ZINC001252542810 983809039 /nfs/dbraw/zinc/80/90/39/983809039.db2.gz JEJIYBVTZWTTHS-AWEZNQCLSA-N 1 0 247.342 2.031 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1nc2ccccc2o1 ZINC001252556199 983815570 /nfs/dbraw/zinc/81/55/70/983815570.db2.gz BLONTEJZELHOAX-CQSZACIVSA-N 1 0 246.310 2.197 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)C(=O)c1ccccc1 ZINC001252569674 983823683 /nfs/dbraw/zinc/82/36/83/983823683.db2.gz VDLPRBGAEJGGSK-OAHLLOKOSA-N 1 0 247.338 2.175 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(OC)c1 ZINC001252572584 983828252 /nfs/dbraw/zinc/82/82/52/983828252.db2.gz SGCFSYJJCPPDGS-SMDDNHRTSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ccccn1)C(C)C ZINC001252576463 983832023 /nfs/dbraw/zinc/83/20/23/983832023.db2.gz LEELLULCTZDCFY-ZIAGYGMSSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2ccc(F)cc21 ZINC001252576981 983832237 /nfs/dbraw/zinc/83/22/37/983832237.db2.gz ROCNKYKVVBLLFT-UONOGXRCSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2ccn(C)c2c1 ZINC001252585745 983835886 /nfs/dbraw/zinc/83/58/86/983835886.db2.gz SZLWHJOVXQJWLN-OAHLLOKOSA-N 1 0 244.338 2.205 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cccs1 ZINC001252587025 983837046 /nfs/dbraw/zinc/83/70/46/983837046.db2.gz OJKHMPYKRVVHCD-SNVBAGLBSA-N 1 0 211.330 2.165 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(F)cc(F)c1 ZINC001252586549 983837194 /nfs/dbraw/zinc/83/71/94/983837194.db2.gz JQWOKRHQNHVEQG-ZDUSSCGKSA-N 1 0 241.281 2.382 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C[C@@H](O)CCC=C ZINC001252587503 983838157 /nfs/dbraw/zinc/83/81/57/983838157.db2.gz SAOYIKFBYCJAHR-LBPRGKRZSA-N 1 0 209.333 2.095 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(C)cs1 ZINC001252589225 983840412 /nfs/dbraw/zinc/84/04/12/983840412.db2.gz LKHPSNHJWARXEE-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCC1CCCC1 ZINC001252613744 983847881 /nfs/dbraw/zinc/84/78/81/983847881.db2.gz AAJYGWMUEYDGQW-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1Cc2ccc(F)cc2C1 ZINC001252623835 983856945 /nfs/dbraw/zinc/85/69/45/983856945.db2.gz RILUOFIENQBKRA-LSDHHAIUSA-N 1 0 249.329 2.210 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC001358506069 983881871 /nfs/dbraw/zinc/88/18/71/983881871.db2.gz NUDNZNILTTVBMX-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(N2CCCC2)o1 ZINC001137067796 983897802 /nfs/dbraw/zinc/89/78/02/983897802.db2.gz IYIGGMHIAPKVBB-UHFFFAOYSA-N 1 0 220.316 2.498 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(CCC)CC1 ZINC001137117267 983952679 /nfs/dbraw/zinc/95/26/79/983952679.db2.gz ILQOXRXOUWIDQI-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]nc2c1cccc2C ZINC001137148277 983974371 /nfs/dbraw/zinc/97/43/71/983974371.db2.gz ZIGAILSOUFRSHU-UHFFFAOYSA-N 1 0 215.300 2.489 20 30 BEEDRO CC(C)[C@]1(CO)CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339203933 984022190 /nfs/dbraw/zinc/02/21/90/984022190.db2.gz NEFBRYQEDLMWFF-BFHYXJOUSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)C(C)(F)F ZINC001571374772 984026657 /nfs/dbraw/zinc/02/66/57/984026657.db2.gz JJYOMJOEYSDLDF-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO N#CCc1cccnc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242672485 984038951 /nfs/dbraw/zinc/03/89/51/984038951.db2.gz WMLPQRFZOZGZPC-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO N#CCc1cccc(-c2ccc3c(c2)C[NH2+]C3)n1 ZINC001242674314 984042361 /nfs/dbraw/zinc/04/23/61/984042361.db2.gz UJJSTJOECMWJAF-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO N#CCc1ccncc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242676710 984046203 /nfs/dbraw/zinc/04/62/03/984046203.db2.gz RMORSIZQWPKYGT-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO Cc1c(N)cc[nH+]c1C1=CC(=O)C[C@@H](C)C1 ZINC001242736001 984080529 /nfs/dbraw/zinc/08/05/29/984080529.db2.gz DYSJQZSJFZTLTO-QMMMGPOBSA-N 1 0 216.284 2.355 20 30 BEEDRO C[C@H]1CC(=O)C=C(c2cc(N)cc[nH+]2)C1 ZINC001242736340 984080715 /nfs/dbraw/zinc/08/07/15/984080715.db2.gz GNAZQDDTAZEJBF-MRVPVSSYSA-N 1 0 202.257 2.046 20 30 BEEDRO O=C1C=C2C[N@@H+](CC3CCC3)CCC2S1 ZINC001202706093 984159480 /nfs/dbraw/zinc/15/94/80/984159480.db2.gz OSSCPMADVDNBPH-LLVKDONJSA-N 1 0 223.341 2.061 20 30 BEEDRO C=CCC1(O)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000717447428 984196196 /nfs/dbraw/zinc/19/61/96/984196196.db2.gz LPQGXWWPSCFBRV-GFCCVEGCSA-N 1 0 222.332 2.082 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC001253564159 984219573 /nfs/dbraw/zinc/21/95/73/984219573.db2.gz APZZQBONWZOSAR-NSHDSACASA-N 1 0 245.244 2.342 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001253564266 984220052 /nfs/dbraw/zinc/22/00/52/984220052.db2.gz CNEDYOUEVRNBFS-CABZTGNLSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001253564273 984220395 /nfs/dbraw/zinc/22/03/95/984220395.db2.gz CNEDYOUEVRNBFS-JOYOIKCWSA-N 1 0 209.264 2.023 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CC1 ZINC001253565120 984222236 /nfs/dbraw/zinc/22/22/36/984222236.db2.gz LGYMHSJZZZTFIA-UONOGXRCSA-N 1 0 217.312 2.274 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)CCc1ccccc1 ZINC001253565505 984223658 /nfs/dbraw/zinc/22/36/58/984223658.db2.gz OUSCGOBDNBDTLR-JSGCOSHPSA-N 1 0 219.328 2.144 20 30 BEEDRO C=C[C@@H](O)CNc1ccc([NH+](CC)CC)cc1 ZINC001253566379 984226404 /nfs/dbraw/zinc/22/64/04/984226404.db2.gz ZAJRMQOVNKCQRG-CQSZACIVSA-N 1 0 234.343 2.492 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2OC)C1 ZINC001253566526 984232882 /nfs/dbraw/zinc/23/28/82/984232882.db2.gz CLNURZVDSXYDTE-CHWSQXEVSA-N 1 0 247.338 2.031 20 30 BEEDRO C=C(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2C1CC1 ZINC001274018347 984237423 /nfs/dbraw/zinc/23/74/23/984237423.db2.gz WFEOLFSJJMNHGD-HNNXBMFYSA-N 1 0 248.370 2.182 20 30 BEEDRO C=CCN1CC[C@]2(CCC[N@@H+]2C2CCCC2)C1=O ZINC001274022880 984238242 /nfs/dbraw/zinc/23/82/42/984238242.db2.gz PIGNCAJSYSHWOS-OAHLLOKOSA-N 1 0 248.370 2.182 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CCC(C)C ZINC000717793449 984293520 /nfs/dbraw/zinc/29/35/20/984293520.db2.gz HFFACPABSJTKPF-QWHCGFSZSA-N 1 0 211.349 2.175 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H](C)C(C)(C)C ZINC000717793510 984293704 /nfs/dbraw/zinc/29/37/04/984293704.db2.gz HPGQFBYKOPWMTG-NEPJUHHUSA-N 1 0 211.349 2.033 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H](C)C(C)(C)C ZINC000717793513 984294061 /nfs/dbraw/zinc/29/40/61/984294061.db2.gz HPGQFBYKOPWMTG-NWDGAFQWSA-N 1 0 211.349 2.033 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C=C(C)C ZINC001154348976 984301392 /nfs/dbraw/zinc/30/13/92/984301392.db2.gz GCZZKJQXPUIEFN-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO N#CCC[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000885974426 984320750 /nfs/dbraw/zinc/32/07/50/984320750.db2.gz DTVVKVLKDITZPQ-LLVKDONJSA-N 1 0 210.346 2.118 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccsc1 ZINC000389297254 984327828 /nfs/dbraw/zinc/32/78/28/984327828.db2.gz KQSZIBKGZYGRII-SNVBAGLBSA-N 1 0 209.314 2.049 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)CCCC)C1 ZINC001279189435 984336763 /nfs/dbraw/zinc/33/67/63/984336763.db2.gz HDUVBPDIUIQJGY-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]1C[C@@H](Nc2cccc(CC#N)n2)CC[N@@H+]1C ZINC001320363352 984351369 /nfs/dbraw/zinc/35/13/69/984351369.db2.gz CTGWRKSTWOAHLJ-YPMHNXCESA-N 1 0 244.342 2.042 20 30 BEEDRO C[NH2+]Cc1ccc(-c2nccc(F)c2C#N)cc1 ZINC001242990781 984352670 /nfs/dbraw/zinc/35/26/70/984352670.db2.gz UDIFYLSHIQPUCS-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1ccc(-c2nc(C)ncc2C#N)cc1 ZINC001242990230 984353509 /nfs/dbraw/zinc/35/35/09/984353509.db2.gz GMIJQMQFUJQXKY-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cc(C#N)ccn2)cc1 ZINC001242988643 984354010 /nfs/dbraw/zinc/35/40/10/984354010.db2.gz LXRROEUZHAPWFH-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C[NH2+]Cc1ccc(-c2nc(C)cc(C#N)n2)cc1 ZINC001242991234 984354420 /nfs/dbraw/zinc/35/44/20/984354420.db2.gz ZWBIRCJOGYXKNY-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C#C[C@@H](CO)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC000718152308 984392945 /nfs/dbraw/zinc/39/29/45/984392945.db2.gz YGWAWRIBVNTRKT-RUXDESIVSA-N 1 0 237.387 2.423 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)/C(C)=C\CC ZINC001275085345 984477807 /nfs/dbraw/zinc/47/78/07/984477807.db2.gz JOPFDWAKQFEKFA-OTAKNEKHSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C\C ZINC001275100178 984484578 /nfs/dbraw/zinc/48/45/78/984484578.db2.gz GKKVNCSGKGBAMK-MVXISAMASA-N 1 0 236.359 2.061 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CC(C)(C)CC ZINC001275168368 984507231 /nfs/dbraw/zinc/50/72/31/984507231.db2.gz NIJLAIDOHRPWMB-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C/C ZINC001275375808 984544365 /nfs/dbraw/zinc/54/43/65/984544365.db2.gz JPXXDMNFHZKMKG-PGJRDNSLSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC=C ZINC001275365029 984544625 /nfs/dbraw/zinc/54/46/25/984544625.db2.gz HVXRUMAFDNRUNF-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO N#Cc1cnc(C2=CC[NH2+]C2)c2ccccc12 ZINC001243109216 984561082 /nfs/dbraw/zinc/56/10/82/984561082.db2.gz ZWOIQTTWYGCBDL-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C[Si](C)(C)C#Cc1ccc(C2=CC[NH2+]C2)cn1 ZINC001243112352 984582838 /nfs/dbraw/zinc/58/28/38/984582838.db2.gz ZCIGJNDSDBCAKC-UHFFFAOYSA-N 1 0 242.398 2.297 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CC(C)(C)C ZINC001275772558 984645518 /nfs/dbraw/zinc/64/55/18/984645518.db2.gz ICEYJPIZHZSTDN-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)C(F)F ZINC001275825309 984678761 /nfs/dbraw/zinc/67/87/61/984678761.db2.gz RYFNSYZUWDERGY-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)C1CCC1 ZINC001275832071 984686123 /nfs/dbraw/zinc/68/61/23/984686123.db2.gz LXEKYPONBUZDFC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCN1CC2(CC[N@@H+]2C2CCCC2)C1 ZINC001275976024 984758754 /nfs/dbraw/zinc/75/87/54/984758754.db2.gz WNDWAWNCQVFUGE-UHFFFAOYSA-N 1 0 232.371 2.103 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@H](C)CCC ZINC001448884464 984822136 /nfs/dbraw/zinc/82/21/36/984822136.db2.gz RYDOICWAHYEENY-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256800875 984840754 /nfs/dbraw/zinc/84/07/54/984840754.db2.gz RSPZQKPFVMTLRI-ZNMIVQPWSA-N 1 0 247.338 2.043 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)C/C=C(/C)C=C ZINC001495724062 984841124 /nfs/dbraw/zinc/84/11/24/984841124.db2.gz WIPKNIINTVVKCC-OTAKNEKHSA-N 1 0 236.359 2.037 20 30 BEEDRO CS[C@H]1CCCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000685989367 985022718 /nfs/dbraw/zinc/02/27/18/985022718.db2.gz FRAGZVLRKSTJJR-RYUDHWBXSA-N 1 0 242.388 2.133 20 30 BEEDRO CS[C@@H]1CCCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000685989366 985026871 /nfs/dbraw/zinc/02/68/71/985026871.db2.gz FRAGZVLRKSTJJR-NWDGAFQWSA-N 1 0 242.388 2.133 20 30 BEEDRO C=CCCC(=O)N[C@]1(C)CC[N@@H+](CC(C)C)C1 ZINC001278368529 985155093 /nfs/dbraw/zinc/15/50/93/985155093.db2.gz BXRKZVXMZSAAJX-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@]1(C)CC[N@@H+](CC(C)C)C1 ZINC001278368528 985156388 /nfs/dbraw/zinc/15/63/88/985156388.db2.gz BXRKZVXMZSAAJX-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H](C)CC[NH+](C)C ZINC001456843665 985172771 /nfs/dbraw/zinc/17/27/71/985172771.db2.gz KBVYRFYCBPNMJX-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000686686123 985204272 /nfs/dbraw/zinc/20/42/72/985204272.db2.gz XVYHXJYNRYCWCR-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CCCC(=O)N[C@]1(C)CC[N@H+](CCC=C)C1 ZINC001278369451 985227522 /nfs/dbraw/zinc/22/75/22/985227522.db2.gz UCAHLWBKILTFBM-CQSZACIVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CCC(=O)N1CC[N@H+](C2CC2)C[C@H]1C ZINC001457872556 985246475 /nfs/dbraw/zinc/24/64/75/985246475.db2.gz DTANEJGPQSFPLB-GFCCVEGCSA-N 1 0 236.359 2.038 20 30 BEEDRO CO[C@@H]1CC[C@@H](C)[N@H+](CCCCC#N)C1 ZINC000687216819 985266941 /nfs/dbraw/zinc/26/69/41/985266941.db2.gz WYNFYFOIACYRNR-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CO[C@@H]1CC[C@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000687214183 985267447 /nfs/dbraw/zinc/26/74/47/985267447.db2.gz OBSLCBPMZKSCNR-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@H]1CC[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000687214194 985268386 /nfs/dbraw/zinc/26/83/86/985268386.db2.gz OBSLCBPMZKSCNR-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO CN(c1cc(N)cc[nH+]1)C1=CC[C@H](C#N)CC1 ZINC001212859912 985275613 /nfs/dbraw/zinc/27/56/13/985275613.db2.gz VXAUBFMRWHCTGC-JTQLQIEISA-N 1 0 228.299 2.308 20 30 BEEDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1C#N ZINC001458229266 985276172 /nfs/dbraw/zinc/27/61/72/985276172.db2.gz OWJNPJNAZWHRCU-YPMHNXCESA-N 1 0 244.342 2.156 20 30 BEEDRO CCCCCCC[C@@H](C)NOCC[NH3+] ZINC001258041987 985311620 /nfs/dbraw/zinc/31/16/20/985311620.db2.gz FHMDMNFWKROEJZ-LLVKDONJSA-N 1 0 202.342 2.215 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCCCCC)C1 ZINC001490853799 985449676 /nfs/dbraw/zinc/44/96/76/985449676.db2.gz ZOVMXXYFBKALSL-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@@H](C)[C@@H](C)O ZINC001459401478 985488939 /nfs/dbraw/zinc/48/89/39/985488939.db2.gz UPJOWHBFKVNMCZ-QWHCGFSZSA-N 1 0 244.338 2.316 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC001459505705 985529177 /nfs/dbraw/zinc/52/91/77/985529177.db2.gz DCXNJAKJDXWAKM-AVGNSLFASA-N 1 0 209.333 2.288 20 30 BEEDRO Cc1cc(/C=C/C2CC[NH2+]CC2)ncc1C#N ZINC001243893036 985563766 /nfs/dbraw/zinc/56/37/66/985563766.db2.gz NTHIMUWAMKXJRW-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO N#Cc1cc(/C=C/C2CC[NH2+]CC2)cnc1F ZINC001243897420 985584512 /nfs/dbraw/zinc/58/45/12/985584512.db2.gz WVOHWQWDJYKDSM-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO CSCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC001258199175 985600355 /nfs/dbraw/zinc/60/03/55/985600355.db2.gz UWNXGYUWZDTJQI-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO N#Cc1ccc(C2=C[NH2+]CCC2)c(C#N)c1 ZINC001243950865 985650235 /nfs/dbraw/zinc/65/02/35/985650235.db2.gz OZWJOGUUHGAYCB-UHFFFAOYSA-N 1 0 209.252 2.154 20 30 BEEDRO C#CCCN1CC[NH+]([C@H](C)[C@@H](C)CC)CC1 ZINC001459904721 985659892 /nfs/dbraw/zinc/65/98/92/985659892.db2.gz ZQTCSHHTIBZIIW-UONOGXRCSA-N 1 0 222.376 2.062 20 30 BEEDRO C#CCCN1CC[NH+]([C@@H](C)[C@H](C)CC)CC1 ZINC001459904718 985661691 /nfs/dbraw/zinc/66/16/91/985661691.db2.gz ZQTCSHHTIBZIIW-KGLIPLIRSA-N 1 0 222.376 2.062 20 30 BEEDRO C=CCN(C[C@H]([NH3+])CC(F)F)CC(F)(F)F ZINC000688890911 985754166 /nfs/dbraw/zinc/75/41/66/985754166.db2.gz NUWFHQPKFFQYAZ-SSDOTTSWSA-N 1 0 246.223 2.019 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689083632 985800381 /nfs/dbraw/zinc/80/03/81/985800381.db2.gz UIZNZPHHNQWOOP-JTQLQIEISA-N 1 0 237.324 2.036 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CC(C)(C)SC ZINC001258325941 985808343 /nfs/dbraw/zinc/80/83/43/985808343.db2.gz GTKTUNDSULZPMZ-ZJUUUORDSA-N 1 0 217.378 2.043 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2ncccn2)C1 ZINC001460855894 985910764 /nfs/dbraw/zinc/91/07/64/985910764.db2.gz HOZAYLYQHLAVRJ-QWHCGFSZSA-N 1 0 229.327 2.068 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](c2cnccn2)C1 ZINC001460855939 985915508 /nfs/dbraw/zinc/91/55/08/985915508.db2.gz HRGAAABIZSFADT-RYUDHWBXSA-N 1 0 217.316 2.231 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1Cc1cnon1 ZINC001460888061 985918768 /nfs/dbraw/zinc/91/87/68/985918768.db2.gz ZBGKMEKEVJBXKY-NSHDSACASA-N 1 0 207.277 2.000 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ncccc1C ZINC001460941742 985956332 /nfs/dbraw/zinc/95/63/32/985956332.db2.gz XSPVXMVOTBEJGK-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2ccncc2C#N)n1 ZINC001244334660 985972996 /nfs/dbraw/zinc/97/29/96/985972996.db2.gz ODBNUQAVGBDZSX-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH+](C)Cc1ccnc(-c2ccncc2C#N)c1 ZINC001244334865 985973690 /nfs/dbraw/zinc/97/36/90/985973690.db2.gz PYBVUSVWXZTKQI-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C[NH2+]Cc1ccccc1-c1ccncc1C#N ZINC001244336475 985978631 /nfs/dbraw/zinc/97/86/31/985978631.db2.gz XFZJLJKIADTRHT-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCOCC23CCCC3)CC1 ZINC001460968718 985979168 /nfs/dbraw/zinc/97/91/68/985979168.db2.gz XYMHABOEQAGOMZ-GFCCVEGCSA-N 1 0 234.343 2.229 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2cnn3c2CCC3)C1 ZINC001327841021 986014305 /nfs/dbraw/zinc/01/43/05/986014305.db2.gz MWIVPAHAXKSAGF-CYBMUJFWSA-N 1 0 243.354 2.065 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCC(=O)[C@H](F)CC1 ZINC001258724747 986066518 /nfs/dbraw/zinc/06/65/18/986066518.db2.gz DPGQQKZFYZRPKX-GHMZBOCLSA-N 1 0 213.296 2.344 20 30 BEEDRO C=CC[C@@H]([NH2+]Cc1ccnn1C)c1ccncc1 ZINC001461221151 986025056 /nfs/dbraw/zinc/02/50/56/986025056.db2.gz WKQLUAQDDLXEHV-CQSZACIVSA-N 1 0 242.326 2.222 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1(CO)CCSCC1 ZINC001258720921 986055304 /nfs/dbraw/zinc/05/53/04/986055304.db2.gz JIANXRPYUGTKLG-LLVKDONJSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ncccc1C(=O)OC ZINC001258722323 986058142 /nfs/dbraw/zinc/05/81/42/986058142.db2.gz ODMZVTOZTQWTGT-NSHDSACASA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ncccc1C(=O)OC ZINC001258722322 986059680 /nfs/dbraw/zinc/05/96/80/986059680.db2.gz ODMZVTOZTQWTGT-LLVKDONJSA-N 1 0 248.326 2.313 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)c1cccnc1 ZINC001258725333 986063068 /nfs/dbraw/zinc/06/30/68/986063068.db2.gz IZGLNJBGENPQGP-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H](CO)CC[C@H]1C ZINC001258725877 986065314 /nfs/dbraw/zinc/06/53/14/986065314.db2.gz NZJOWWJMVKXKMB-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001258724856 986065377 /nfs/dbraw/zinc/06/53/77/986065377.db2.gz FJQLDMMRUKFLHH-UPJWGTAASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001258726568 986067665 /nfs/dbraw/zinc/06/76/65/986067665.db2.gz UWARYQHWTHDZRR-GRYCIOLGSA-N 1 0 215.312 2.136 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(O)[C@@H](F)C1 ZINC001258726569 986068490 /nfs/dbraw/zinc/06/84/90/986068490.db2.gz UWARYQHWTHDZRR-SDDRHHMPSA-N 1 0 215.312 2.136 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCN(C)C(C)(C)C1 ZINC001258732819 986076478 /nfs/dbraw/zinc/07/64/78/986076478.db2.gz QNZMICSJIBFREQ-LBPRGKRZSA-N 1 0 210.365 2.367 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CNC[C@H]1CCC[NH2+]1 ZINC001579554011 986083846 /nfs/dbraw/zinc/08/38/46/986083846.db2.gz JLLHKRYCGABPIS-CQSZACIVSA-N 1 0 243.354 2.017 20 30 BEEDRO Cc1cc(CN[C@@H]2CCCC[C@H]2[NH3+])ccc1C#N ZINC001579601308 986120973 /nfs/dbraw/zinc/12/09/73/986120973.db2.gz NDTYHORMUYPNBO-HUUCEWRRSA-N 1 0 243.354 2.226 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC001253583339 986144545 /nfs/dbraw/zinc/14/45/45/986144545.db2.gz FQASHMVFIFZKSB-WCQYABFASA-N 1 0 235.327 2.235 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCc2c(Cl)cccc2C1 ZINC001253585003 986165472 /nfs/dbraw/zinc/16/54/72/986165472.db2.gz SVWZEDGAPJIEFV-LLVKDONJSA-N 1 0 237.730 2.245 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001253598478 986227283 /nfs/dbraw/zinc/22/72/83/986227283.db2.gz USNZVDKIFAAQQG-AWEZNQCLSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1c(F)ccc(F)c1Cl ZINC001253598473 986229414 /nfs/dbraw/zinc/22/94/14/986229414.db2.gz UPRMWGOBUWRSPI-ZETCQYMHSA-N 1 0 247.672 2.255 20 30 BEEDRO CC=C(NC=[NH2+])c1cc(C#N)ccc1F ZINC001244553623 986240459 /nfs/dbraw/zinc/24/04/59/986240459.db2.gz GDBPZNZQRZXVLL-FUQNDXKWSA-N 1 0 203.220 2.255 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001253602432 986254378 /nfs/dbraw/zinc/25/43/78/986254378.db2.gz IGESKAHGYVGUEW-QMMMGPOBSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)COc1c(C)cccc1C ZINC001253602816 986255211 /nfs/dbraw/zinc/25/52/11/986255211.db2.gz MBSSZYLGVWFGNB-KBPBESRZSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC001253603618 986255773 /nfs/dbraw/zinc/25/57/73/986255773.db2.gz ZCLMRBVNDDDGGV-ZDUSSCGKSA-N 1 0 247.338 2.037 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H]1C[C@H]1c1cccc(Cl)c1 ZINC001253602904 986255974 /nfs/dbraw/zinc/25/59/74/986255974.db2.gz NOCQTVCBYKHEIX-AVGNSLFASA-N 1 0 237.730 2.332 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCc2cc(C)ccc21 ZINC001253603378 986258027 /nfs/dbraw/zinc/25/80/27/986258027.db2.gz WQLZWEVKELYVAM-GXTWGEPZSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(C)cc1Cl ZINC001253605231 986259908 /nfs/dbraw/zinc/25/99/08/986259908.db2.gz PQPRSGWQFZYTHE-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO CC#CCC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC001462022207 986265737 /nfs/dbraw/zinc/26/57/37/986265737.db2.gz DODYSMLWERVMBQ-GFCCVEGCSA-N 1 0 232.327 2.024 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(c2cccc(F)c2)CCC1 ZINC001253607435 986266071 /nfs/dbraw/zinc/26/60/71/986266071.db2.gz XBKUMQZCKIWSFF-ZDUSSCGKSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CC1(Cc2ccccc2C)CC1 ZINC001253606943 986266123 /nfs/dbraw/zinc/26/61/23/986266123.db2.gz OPJUDLLFUOUXSJ-OAHLLOKOSA-N 1 0 245.366 2.454 20 30 BEEDRO CC#CCC[NH2+]Cc1cccc2c1CCOC2 ZINC001462024302 986268272 /nfs/dbraw/zinc/26/82/72/986268272.db2.gz TYYNGSFDDUYDEQ-UHFFFAOYSA-N 1 0 229.323 2.262 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC001253607589 986268579 /nfs/dbraw/zinc/26/85/79/986268579.db2.gz AKNXOVIRFNJQOO-NSHDSACASA-N 1 0 243.709 2.158 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC001253609437 986276311 /nfs/dbraw/zinc/27/63/11/986276311.db2.gz SDRJQMRSHREROP-ZIAGYGMSSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](CCC)c1ccncc1 ZINC001253609328 986276497 /nfs/dbraw/zinc/27/64/97/986276497.db2.gz QXUAUEHNOAAIRP-QWHCGFSZSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1csc(Cl)c1 ZINC001253609584 986278340 /nfs/dbraw/zinc/27/83/40/986278340.db2.gz VXJXIWBPSBZZSC-MRVPVSSYSA-N 1 0 217.721 2.038 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001462229703 986319908 /nfs/dbraw/zinc/31/99/08/986319908.db2.gz IWISBLPTKXGQQP-ZDEQEGDKSA-N 1 0 209.333 2.092 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC#Cc1ccccc1 ZINC000384164865 986322544 /nfs/dbraw/zinc/32/25/44/986322544.db2.gz KYKGPMITAIHQES-HNNXBMFYSA-N 1 0 211.308 2.430 20 30 BEEDRO C[C@@]1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCCO1 ZINC001462366663 986366049 /nfs/dbraw/zinc/36/60/49/986366049.db2.gz ZTDZDHWHGNZMGS-XQQFMLRXSA-N 1 0 222.332 2.227 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001462390150 986373274 /nfs/dbraw/zinc/37/32/74/986373274.db2.gz YXUKBBDJNPQNEZ-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)C1CCOCC1 ZINC001462449028 986392412 /nfs/dbraw/zinc/39/24/12/986392412.db2.gz WJYVRYDOMHMRIR-XQLPTFJDSA-N 1 0 233.355 2.193 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001462459316 986395505 /nfs/dbraw/zinc/39/55/05/986395505.db2.gz GMYIYIXQSIKJKA-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccncc2C#N)c1F ZINC001244860189 986404974 /nfs/dbraw/zinc/40/49/74/986404974.db2.gz JYGZRHBFBJKNBT-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO CC(C)[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001253780091 986417464 /nfs/dbraw/zinc/41/74/64/986417464.db2.gz CFRISKNBJWVIKI-CQSZACIVSA-N 1 0 244.338 2.154 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC1CC1)C2 ZINC001096716667 986483627 /nfs/dbraw/zinc/48/36/27/986483627.db2.gz OQRDSXIKOARXHE-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001462664357 986498044 /nfs/dbraw/zinc/49/80/44/986498044.db2.gz GVMPFMGKCVFDMR-OWCLPIDISA-N 1 0 248.414 2.500 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccnc1C1CC1 ZINC001262349644 986554661 /nfs/dbraw/zinc/55/46/61/986554661.db2.gz WODLJOUHELILFH-UHFFFAOYSA-N 1 0 245.326 2.015 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1(C)CCC1)C2 ZINC001097653458 986622971 /nfs/dbraw/zinc/62/29/71/986622971.db2.gz JHEYMLOURWCKLV-UPJWGTAASA-N 1 0 248.370 2.084 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NC2(C#N)CCCCC2)CC1 ZINC001254502827 986642918 /nfs/dbraw/zinc/64/29/18/986642918.db2.gz HPBJURCHVNLMTI-CYBMUJFWSA-N 1 0 235.375 2.287 20 30 BEEDRO N#C[C@H]1CC[C@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001254640102 986692096 /nfs/dbraw/zinc/69/20/96/986692096.db2.gz ZQVYNWXPADRGKS-UWVGGRQHSA-N 1 0 246.289 2.218 20 30 BEEDRO CN1[C@@H]2CCC[C@H]1C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC001254641878 986692906 /nfs/dbraw/zinc/69/29/06/986692906.db2.gz AZGWIORCMRRJCW-ZQNQSHIBSA-N 1 0 247.386 2.284 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC001254644695 986696438 /nfs/dbraw/zinc/69/64/38/986696438.db2.gz VCWFPPFYOQOIFA-FPMFFAJLSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001254645679 986699107 /nfs/dbraw/zinc/69/91/07/986699107.db2.gz FVJYZJCQHRZKAZ-WCQYABFASA-N 1 0 227.311 2.353 20 30 BEEDRO N#C[C@@H]1CC[C@H](Nc2ccc(C[NH3+])c(F)c2)C1 ZINC001254654765 986709200 /nfs/dbraw/zinc/70/92/00/986709200.db2.gz AFFOVUCBYALJJN-KOLCDFICSA-N 1 0 233.290 2.389 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC001254668212 986715553 /nfs/dbraw/zinc/71/55/53/986715553.db2.gz GPBGPSYLPQRBOK-ZIAGYGMSSA-N 1 0 229.327 2.248 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)C1 ZINC001254670734 986722026 /nfs/dbraw/zinc/72/20/26/986722026.db2.gz LYYLRPKXBYIOIW-PDWCTOEPSA-N 1 0 229.327 2.445 20 30 BEEDRO CC(C)(S)C[NH2+]C1CCSCC1 ZINC001255082776 986810935 /nfs/dbraw/zinc/81/09/35/986810935.db2.gz LWFRAGLIPZKVAV-UHFFFAOYSA-N 1 0 205.392 2.180 20 30 BEEDRO CC[C@H](CC#N)n1nc(C[NH3+])c2ccccc21 ZINC001255152783 986825935 /nfs/dbraw/zinc/82/59/35/986825935.db2.gz BPUOGWRGNAFBPK-SNVBAGLBSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@@H](CC#N)n1nc(C[NH3+])c2ccccc21 ZINC001255152782 986826867 /nfs/dbraw/zinc/82/68/67/986826867.db2.gz BPUOGWRGNAFBPK-JTQLQIEISA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CC[C@H](OC)CC1 ZINC001255154447 986827150 /nfs/dbraw/zinc/82/71/50/986827150.db2.gz HQBSNKGTRLGNRN-IJLUTSLNSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CC(C)(C)N(O)C1(C)C ZINC001255156610 986828692 /nfs/dbraw/zinc/82/86/92/986828692.db2.gz MBLWGMQLYNAJPH-WDEREUQCSA-N 1 0 239.363 2.289 20 30 BEEDRO CC[C@H](CC#N)n1cnc2ccc(C[NH3+])cc21 ZINC001255155901 986829003 /nfs/dbraw/zinc/82/90/03/986829003.db2.gz VEOGRGQPTFNKEI-LLVKDONJSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](C(=O)OC)CC1 ZINC001255156964 986830424 /nfs/dbraw/zinc/83/04/24/986830424.db2.gz VIATWTHPWDEIEW-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1ccsc1 ZINC001467500163 986853370 /nfs/dbraw/zinc/85/33/70/986853370.db2.gz BPQCIGHOUKRLJL-SNVBAGLBSA-N 1 0 238.356 2.043 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCC(F)(F)C1 ZINC000389225007 986854040 /nfs/dbraw/zinc/85/40/40/986854040.db2.gz PNDOCILVHPFEAC-DTWKUNHWSA-N 1 0 202.248 2.456 20 30 BEEDRO CC[C@H](CC#N)[N@H+](C(C)C)C1CCN(C)CC1 ZINC001255177100 986872869 /nfs/dbraw/zinc/87/28/69/986872869.db2.gz MKYITGGSIRDPRW-CYBMUJFWSA-N 1 0 237.391 2.483 20 30 BEEDRO C=CC[N@@H+](C)Cc1c[nH]c2ncccc12 ZINC001137403292 986878793 /nfs/dbraw/zinc/87/87/93/986878793.db2.gz HVHVYTIKOMVOGM-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2CCSC2)CC1 ZINC001255269805 986880943 /nfs/dbraw/zinc/88/09/43/986880943.db2.gz OSSQMWRBTHIZLS-DCAQKATOSA-N 1 0 210.346 2.164 20 30 BEEDRO C#C[C@H]1COCCN1C[C@H](C)c1ccc(C)cc1 ZINC001462332154 986944991 /nfs/dbraw/zinc/94/49/91/986944991.db2.gz IEBIRPAIESASCK-HOCLYGCPSA-N 1 0 243.350 2.433 20 30 BEEDRO Cc1cccc(-c2ccncc2C[NH3+])c1C#N ZINC001245560774 986953685 /nfs/dbraw/zinc/95/36/85/986953685.db2.gz SVXBHJWRONOYMD-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO CN1CCC[C@@H]([NH2+]C23CCC(C#N)(CC2)CC3)C1 ZINC001255471941 986974383 /nfs/dbraw/zinc/97/43/83/986974383.db2.gz KPWPQHUOQXGDED-WLYUNCDWSA-N 1 0 247.386 2.287 20 30 BEEDRO Cc1ccc(C#N)c(-c2cc(C[NH3+])ccn2)c1 ZINC001245600679 986984126 /nfs/dbraw/zinc/98/41/26/986984126.db2.gz KQJDHHKDVSEOHC-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO N#Cc1ccnc(-c2ccc3c[nH+]cn3c2)c1 ZINC001245893758 987099826 /nfs/dbraw/zinc/09/98/26/987099826.db2.gz FHHRWIUMSYEOOT-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)CCC)C1 ZINC001491004397 987099955 /nfs/dbraw/zinc/09/99/55/987099955.db2.gz GECZRMBQECZDRA-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO Cc1nnc(-c2ccc3c[nH+]cn3c2)c(C#N)c1C ZINC001245895846 987109781 /nfs/dbraw/zinc/10/97/81/987109781.db2.gz HNLRNGWCADCMJO-UHFFFAOYSA-N 1 0 249.277 2.280 20 30 BEEDRO N#Cc1c(F)cncc1-c1ccc2c[nH+]cn2c1 ZINC001245896319 987118812 /nfs/dbraw/zinc/11/88/12/987118812.db2.gz PCWZUUBUQBXEOS-UHFFFAOYSA-N 1 0 238.225 2.407 20 30 BEEDRO C=CC(C)(C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472135522 987185437 /nfs/dbraw/zinc/18/54/37/987185437.db2.gz VBRRDVUDVSCLFQ-UHFFFAOYSA-N 1 0 229.283 2.485 20 30 BEEDRO C=CCC[N@H+]1C[C@@H](CNC(=O)CCC)[C@H](C)C1 ZINC001101681804 987201500 /nfs/dbraw/zinc/20/15/00/987201500.db2.gz BHSMXRRCEMLHBI-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](CNC(=O)CC)[C@H](C)C1 ZINC001101664598 987201604 /nfs/dbraw/zinc/20/16/04/987201604.db2.gz KROZMWHHWOXXJR-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CC[C@@H]1CN(C(C)=O)C[C@H]1C ZINC001103802745 987256299 /nfs/dbraw/zinc/25/62/99/987256299.db2.gz LWPLMNYSRTWWEN-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[N@H+](CCNc1cc(C)c(C#N)cn1)C(C)C ZINC001472681519 987267726 /nfs/dbraw/zinc/26/77/26/987267726.db2.gz DBKPTFRTMUBBOP-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO CCC[N@@H+]1CC[C@H](Nc2cc(C)c(C#N)cn2)C1 ZINC001472839719 987291986 /nfs/dbraw/zinc/29/19/86/987291986.db2.gz LIJQENMFBGPEAN-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO CCCCCCCC[C@H](O)CN(C)CC[NH2+]C ZINC001246014604 987293637 /nfs/dbraw/zinc/29/36/37/987293637.db2.gz PLROZQYQGZBGPA-AWEZNQCLSA-N 1 0 244.423 2.249 20 30 BEEDRO CCC[C@H]1CN(c2cc(F)ccc2C#N)CC[NH2+]1 ZINC001472861832 987295457 /nfs/dbraw/zinc/29/54/57/987295457.db2.gz CZNQSOMGZJJCCG-ZDUSSCGKSA-N 1 0 247.317 2.276 20 30 BEEDRO CC[N@@H+]1CC[C@@H]1CNc1cc(F)ccc1C#N ZINC001472862095 987296432 /nfs/dbraw/zinc/29/64/32/987296432.db2.gz IVPXOAOOMZIEGP-GFCCVEGCSA-N 1 0 233.290 2.203 20 30 BEEDRO CNC(NCc1cccc(Cl)c1Cl)=[NH+]C ZINC000693669741 987313624 /nfs/dbraw/zinc/31/36/24/987313624.db2.gz DMVDWFSYZGANQW-UHFFFAOYSA-N 1 0 246.141 2.288 20 30 BEEDRO N#Cc1c(F)cccc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697090936 987351197 /nfs/dbraw/zinc/35/11/97/987351197.db2.gz SULRSYMJGRSAST-LLVKDONJSA-N 1 0 248.301 2.466 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000699889426 987381145 /nfs/dbraw/zinc/38/11/45/987381145.db2.gz OUEAGWSOTOVLBK-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO CCC[N@H+](Cc1cc(C#N)ccn1)C1CC1 ZINC001473305246 987395211 /nfs/dbraw/zinc/39/52/11/987395211.db2.gz CVSNRNXWTOYDBT-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO CC(Cc1ccccc1Cl)=[NH+]n1cnnc1 ZINC001116121244 987448081 /nfs/dbraw/zinc/44/80/81/987448081.db2.gz KWVKNHMRTUGGIW-UHFFFAOYSA-N 1 0 234.690 2.398 20 30 BEEDRO C=CCC1([NH2+]CC2=NOCC2)CCCC1 ZINC001473647609 987511241 /nfs/dbraw/zinc/51/12/41/987511241.db2.gz XHHNYKZPICJIHR-UHFFFAOYSA-N 1 0 208.305 2.241 20 30 BEEDRO C=CC[N@H+](Cc1cncnc1)C(C)(C)C ZINC001137671454 987534900 /nfs/dbraw/zinc/53/49/00/987534900.db2.gz MJQPZXNDOQMDCN-UHFFFAOYSA-N 1 0 205.305 2.263 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001473797038 987565612 /nfs/dbraw/zinc/56/56/12/987565612.db2.gz MWEQRTVZASPKEL-GHMZBOCLSA-N 1 0 219.332 2.369 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(C)s1)CC1CC1 ZINC001116426967 987567794 /nfs/dbraw/zinc/56/77/94/987567794.db2.gz KCSJTDWRULALGY-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CCC1([NH2+]CCN2C[C@H](C)C[C@@H](C)C2)CCC1 ZINC001473820179 987572964 /nfs/dbraw/zinc/57/29/64/987572964.db2.gz ZLTHQBLEGUQXPU-HUUCEWRRSA-N 1 0 248.414 2.500 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1cc(F)ccc1F ZINC001473884484 987602187 /nfs/dbraw/zinc/60/21/87/987602187.db2.gz JUAGCBYSXBURME-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCc2ccccc2C1 ZINC001116619963 987644853 /nfs/dbraw/zinc/64/48/53/987644853.db2.gz CGRHHKAOTXAYMA-GJZGRUSLSA-N 1 0 231.339 2.335 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC001116644068 987657651 /nfs/dbraw/zinc/65/76/51/987657651.db2.gz WUNFYFPPHYPDAK-JHJVBQTASA-N 1 0 239.359 2.125 20 30 BEEDRO C[C@@]1(C[NH+]2CCC(C#N)CC2)CCCCO1 ZINC001474336015 987691258 /nfs/dbraw/zinc/69/12/58/987691258.db2.gz OQFKLVLMGWZLLL-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC[C@@H](C)NC(=[NH2+])c1ccc(C(=O)OC)cc1 ZINC001246304381 987700884 /nfs/dbraw/zinc/70/08/84/987700884.db2.gz JWYPLSIVGLVVGD-SNVBAGLBSA-N 1 0 248.326 2.367 20 30 BEEDRO C#CC[N@@H+](CCCSCCOC)CC1CC1 ZINC001116821156 987721086 /nfs/dbraw/zinc/72/10/86/987721086.db2.gz IMAXFUJQPDCMSZ-UHFFFAOYSA-N 1 0 241.400 2.101 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001474461951 987731531 /nfs/dbraw/zinc/73/15/31/987731531.db2.gz YEUUCVXLGFNFBZ-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cccnc1N ZINC001474480020 987734641 /nfs/dbraw/zinc/73/46/41/987734641.db2.gz NNKGDMZNCJVQFJ-LLVKDONJSA-N 1 0 205.305 2.108 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(C)CCCCO1 ZINC001474590127 987770198 /nfs/dbraw/zinc/77/01/98/987770198.db2.gz NTCMKRQDYCDVCU-IHRRRGAJSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCN[NH+]=C1CCN(C)c2ccccc21 ZINC001117102625 987780434 /nfs/dbraw/zinc/78/04/34/987780434.db2.gz IKOOYGIIDKBPLQ-UHFFFAOYSA-N 1 0 215.300 2.006 20 30 BEEDRO COc1ccc(N[C@H]2CCC[N@H+](C)C2)cc1C#N ZINC001474674665 987798786 /nfs/dbraw/zinc/79/87/86/987798786.db2.gz HQDUXSDNKUJBKI-ZDUSSCGKSA-N 1 0 245.326 2.073 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCOCC1)[C@@H]1C[C@H]1C1CC1 ZINC001474747709 987816123 /nfs/dbraw/zinc/81/61/23/987816123.db2.gz IBZOTQUILCHVPW-UBHSHLNASA-N 1 0 248.370 2.331 20 30 BEEDRO C#CC1(N[C@@H]2CC[C@H](C)[NH2+]C2)CCCCC1 ZINC001246461576 987819233 /nfs/dbraw/zinc/81/92/33/987819233.db2.gz DJMUVSHZSIVQPM-QWHCGFSZSA-N 1 0 220.360 2.053 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246461656 987820376 /nfs/dbraw/zinc/82/03/76/987820376.db2.gz DXHWTOWEIZMYKA-RWMBFGLXSA-N 1 0 223.364 2.045 20 30 BEEDRO C=C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246485873 987841652 /nfs/dbraw/zinc/84/16/52/987841652.db2.gz BAQWCUIGINEATQ-ZIAGYGMSSA-N 1 0 216.328 2.255 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](CN)c1ccccc1 ZINC001246508585 987863590 /nfs/dbraw/zinc/86/35/90/987863590.db2.gz UMXDNAVWMOGIAH-TZMCWYRMSA-N 1 0 231.343 2.358 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001479316537 987896137 /nfs/dbraw/zinc/89/61/37/987896137.db2.gz VDXXIZSUUJKHRM-TXEJJXNPSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)CCC)C1 ZINC001479274342 987896749 /nfs/dbraw/zinc/89/67/49/987896749.db2.gz JKCAXSVZEFPOMZ-PHIMTYICSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1C[C@H]([NH2+]CCC)C1 ZINC001479391466 987898758 /nfs/dbraw/zinc/89/87/58/987898758.db2.gz ILJWAIQWKCNOFQ-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)NCC(C)C ZINC001117784596 987909670 /nfs/dbraw/zinc/90/96/70/987909670.db2.gz LBJAHXRCNAPUTG-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)CC ZINC001479794272 987913376 /nfs/dbraw/zinc/91/33/76/987913376.db2.gz FZGIIPGRZZRMKM-CYBMUJFWSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CCC1CC1 ZINC001321480180 987920412 /nfs/dbraw/zinc/92/04/12/987920412.db2.gz ZFFPTBQHRXONNO-SNVBAGLBSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C(C)C)C1CC1 ZINC001479864718 987921723 /nfs/dbraw/zinc/92/17/23/987921723.db2.gz CISRKWYZQDCKHQ-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(CC)CC)C1 ZINC001479970976 987938377 /nfs/dbraw/zinc/93/83/77/987938377.db2.gz CPPLJATZIHJUNG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1CCCN(C(C)=O)C1 ZINC001480067467 987941795 /nfs/dbraw/zinc/94/17/95/987941795.db2.gz CXSFABZERQJBEK-CQSZACIVSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001480199721 987954332 /nfs/dbraw/zinc/95/43/32/987954332.db2.gz KGWDWLMIBFFYCK-OKILXGFUSA-N 1 0 248.370 2.300 20 30 BEEDRO C#CCN(CC1CC1)[C@H](C)c1ncc(C)o1 ZINC001117932689 987954928 /nfs/dbraw/zinc/95/49/28/987954928.db2.gz VDCYBOUVSQIWGK-LLVKDONJSA-N 1 0 218.300 2.389 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C=C(C)C)C1 ZINC001480190444 987954781 /nfs/dbraw/zinc/95/47/81/987954781.db2.gz CGJBOXIAMZMUQX-BETUJISGSA-N 1 0 236.359 2.156 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1C[C@@H]([NH2+]CCC)C1 ZINC001480220482 987960489 /nfs/dbraw/zinc/96/04/89/987960489.db2.gz PRWAAPZZBGRBMM-UPJWGTAASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)CCC(C)(F)F ZINC001480488382 987987093 /nfs/dbraw/zinc/98/70/93/987987093.db2.gz JGCDCJGFUXNHTK-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]CCC1CC1 ZINC001480517966 987992753 /nfs/dbraw/zinc/99/27/53/987992753.db2.gz MEVGADVKALIVEK-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH2+]CCCC ZINC001480531641 988003115 /nfs/dbraw/zinc/00/31/15/988003115.db2.gz FDAZZVIRYLHHMT-GXTWGEPZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](C)[C@H](N)C3)C[C@H](C1)C2 ZINC001246563127 988004720 /nfs/dbraw/zinc/00/47/20/988004720.db2.gz OSSMLSPPLDYJLL-MQAAVTGUSA-N 1 0 234.387 2.400 20 30 BEEDRO C#CC[N@H+](CCC[C@@H]1CCOC1)CC1CC1 ZINC001118130341 988035111 /nfs/dbraw/zinc/03/51/11/988035111.db2.gz WFKZNFCANIDOLJ-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[C@@H](C)[NH2+]CC ZINC001480783279 988037899 /nfs/dbraw/zinc/03/78/99/988037899.db2.gz FQVPFUJKBWWYPQ-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)CC(C)=C(C)C ZINC001321950135 988060885 /nfs/dbraw/zinc/06/08/85/988060885.db2.gz SILJPYKXSXLEHM-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]CCC ZINC001321957182 988062947 /nfs/dbraw/zinc/06/29/47/988062947.db2.gz RQAKPFBJKNLVBM-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1CC ZINC001321989476 988072673 /nfs/dbraw/zinc/07/26/73/988072673.db2.gz ARRWABJALSPLIK-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)c1ccc[nH]1 ZINC001493278350 988076063 /nfs/dbraw/zinc/07/60/63/988076063.db2.gz OOUXBDLAPAEHNT-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCC[N@H+](CCC)CCNC(=O)c1cc[nH]c1 ZINC001493293376 988077135 /nfs/dbraw/zinc/07/71/35/988077135.db2.gz OZAXEVXCKGQTEE-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO CC[C@H](CC#N)N1CCCC[C@@](C)(C[NH3+])C1 ZINC001246578756 988089616 /nfs/dbraw/zinc/08/96/16/988089616.db2.gz BXXCTNYMRACZOA-OLZOCXBDSA-N 1 0 223.364 2.130 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H](C)C(CC)CC ZINC001493605078 988097007 /nfs/dbraw/zinc/09/70/07/988097007.db2.gz JFMWNWSJMNEFCJ-GFCCVEGCSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[N@H+](C)CC=C(C)C ZINC001322125880 988100570 /nfs/dbraw/zinc/10/05/70/988100570.db2.gz ZETWSUSTAOBLLI-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001322108065 988112276 /nfs/dbraw/zinc/11/22/76/988112276.db2.gz FGRJIUMVUYTTDA-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@H](C)CC(C)C ZINC001493758978 988113093 /nfs/dbraw/zinc/11/30/93/988113093.db2.gz DCJXUIMLPHTSLX-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)C1CCN(C(C)=O)CC1 ZINC001493814857 988116422 /nfs/dbraw/zinc/11/64/22/988116422.db2.gz IUXIEZJEXWEQGX-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC(C[N@@H+](C)CC)CC1 ZINC001494189915 988130360 /nfs/dbraw/zinc/13/03/60/988130360.db2.gz OZIHZZYAKWYAJE-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C=C(CC)CC ZINC001322146426 988138331 /nfs/dbraw/zinc/13/83/31/988138331.db2.gz VACHIBPOSWPGHE-GFCCVEGCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(C)c(OC)c1 ZINC001322150759 988140667 /nfs/dbraw/zinc/14/06/67/988140667.db2.gz ZFUTZICGQDJJLV-CYBMUJFWSA-N 1 0 235.327 2.294 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)/C=C(/C)CC)C1 ZINC001494384175 988145981 /nfs/dbraw/zinc/14/59/81/988145981.db2.gz YROQEMDWDHQRGJ-WQLSENKSSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC1C[NH+](C(C)C)C1 ZINC001494556260 988156373 /nfs/dbraw/zinc/15/63/73/988156373.db2.gz WRAMLOJGTKGWLW-UHFFFAOYSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)C)C1 ZINC001278456723 988178402 /nfs/dbraw/zinc/17/84/02/988178402.db2.gz OAYSWYBXDBLAQE-AWEZNQCLSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)[C@@H]1CC[N@H+](CC)C1 ZINC001494841152 988192798 /nfs/dbraw/zinc/19/27/98/988192798.db2.gz FTUKEMPBPGAMIE-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C(C)(F)F ZINC001494930881 988199534 /nfs/dbraw/zinc/19/95/34/988199534.db2.gz RJEFVOZYJGDDCE-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)/C(C)=C/C ZINC001494962458 988207767 /nfs/dbraw/zinc/20/77/67/988207767.db2.gz UTLFQMKGUGXFBG-IGEMTJHASA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)CC1(C)CC1 ZINC001495709291 988244022 /nfs/dbraw/zinc/24/40/22/988244022.db2.gz MMXXFUOGHPLBPD-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)[C@](C)(C=C)CC ZINC001495733960 988247592 /nfs/dbraw/zinc/24/75/92/988247592.db2.gz KXESUUQPFOVJSX-GXTWGEPZSA-N 1 0 238.375 2.117 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CCC(F)F ZINC001496119033 988280898 /nfs/dbraw/zinc/28/08/98/988280898.db2.gz ZZBOSSUOAKCYIR-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CCCF ZINC001496130800 988290877 /nfs/dbraw/zinc/29/08/77/988290877.db2.gz IGGJSIIPKHKWJI-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1C[C@H]1C ZINC001496131595 988292374 /nfs/dbraw/zinc/29/23/74/988292374.db2.gz LGKVGWFRAGPQEA-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)N[C@@H](C[NH2+]C(C)C)CC(C)C ZINC001496261465 988297964 /nfs/dbraw/zinc/29/79/64/988297964.db2.gz MAQQHNHMKFCJPO-CYBMUJFWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)CC(C)(C)C=C ZINC001496708897 988326658 /nfs/dbraw/zinc/32/66/58/988326658.db2.gz YFGZKQRTFHFVKU-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO C=C(C)C[NH2+]CCN(CC)C(=O)C[C@@H](C)CC ZINC001497376315 988377931 /nfs/dbraw/zinc/37/79/31/988377931.db2.gz CPNMLRSYLXWHRK-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)c1ccc(C)cc1 ZINC001497487810 988382143 /nfs/dbraw/zinc/38/21/43/988382143.db2.gz GHRIYSKEENROMT-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CCC1([NH2+]CCOC(=O)N(C)C)CCCC1 ZINC001118501498 988397654 /nfs/dbraw/zinc/39/76/54/988397654.db2.gz LBDAFXBMPKBAPY-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CCN[C@H]4C[C@H]43)C[C@H](C1)C2 ZINC001246667255 988412612 /nfs/dbraw/zinc/41/26/12/988412612.db2.gz YSHARZCYUDVNGC-FIBILERRSA-N 1 0 232.371 2.167 20 30 BEEDRO C=CCC[NH2+]C[C@@H](NC(=O)C=C1CCC1)C1CC1 ZINC001322987525 988424180 /nfs/dbraw/zinc/42/41/80/988424180.db2.gz SXFJGQVQBQEULU-CQSZACIVSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)C[NH2+]CCC)CCC1 ZINC001497905157 988430433 /nfs/dbraw/zinc/43/04/33/988430433.db2.gz HGORCVOOJQKLRC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCNC[C@@H]1CO ZINC001246703853 988443577 /nfs/dbraw/zinc/44/35/77/988443577.db2.gz WGWPMWJBKUXAIX-UONOGXRCSA-N 1 0 242.407 2.002 20 30 BEEDRO C[C@@H]1CC[C@H](N(C)Cc2ccc(C#N)cc2)C[NH2+]1 ZINC001246767908 988453471 /nfs/dbraw/zinc/45/34/71/988453471.db2.gz CZYQHDVLGGBRDV-DOMZBBRYSA-N 1 0 243.354 2.131 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001246769930 988456431 /nfs/dbraw/zinc/45/64/31/988456431.db2.gz LZMVUJZHDFXZRU-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CC1CCC1 ZINC001498253714 988475767 /nfs/dbraw/zinc/47/57/67/988475767.db2.gz ZATVSPIINSMEQV-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@H+](C)CCC1CC1 ZINC001498241023 988476287 /nfs/dbraw/zinc/47/62/87/988476287.db2.gz TZBJRRDUYWIPFW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)C(=C)C ZINC001498354817 988482990 /nfs/dbraw/zinc/48/29/90/988482990.db2.gz DXHLFCSFVGYDST-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C[N@H+](C)CC ZINC001498362363 988485351 /nfs/dbraw/zinc/48/53/51/988485351.db2.gz LJTXYPTVRVXVDV-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](C)CC ZINC001498516532 988492681 /nfs/dbraw/zinc/49/26/81/988492681.db2.gz SXKSSWIHDWRLAK-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C1(CCC)CC1 ZINC001498610004 988496670 /nfs/dbraw/zinc/49/66/70/988496670.db2.gz ACPIFNVJGHPJPD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)[C@@H](C)CCC)C1CC1 ZINC001498737999 988504235 /nfs/dbraw/zinc/50/42/35/988504235.db2.gz HBCAXOLNTLPOGF-WCQYABFASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)c2coc(C)c2)CC1 ZINC001323423313 988528232 /nfs/dbraw/zinc/52/82/32/988528232.db2.gz BZGHMDMKJLQZME-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)C(C)C ZINC001499074827 988532445 /nfs/dbraw/zinc/53/24/45/988532445.db2.gz ZORCYDYLEJHKPF-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)C(C)C ZINC001499074830 988533679 /nfs/dbraw/zinc/53/36/79/988533679.db2.gz ZORCYDYLEJHKPF-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH2+]C(C)(C)C ZINC001118738601 988535057 /nfs/dbraw/zinc/53/50/57/988535057.db2.gz XJLOIPJKCJAVAS-TXEJJXNPSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCCCCN(C)[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001246870512 988540327 /nfs/dbraw/zinc/54/03/27/988540327.db2.gz LJQPMFJUTMBSBJ-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C(C)(C)CC=C)CC1 ZINC001499364748 988545788 /nfs/dbraw/zinc/54/57/88/988545788.db2.gz CIFAUGGCHAQPGQ-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCN[NH+]=Cc1ccc(N2CCCC2)cc1 ZINC001323521286 988547876 /nfs/dbraw/zinc/54/78/76/988547876.db2.gz YLTOWJQTYRRGGX-UHFFFAOYSA-N 1 0 229.327 2.396 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC=C)C[C@@H]1C ZINC001499819980 988559388 /nfs/dbraw/zinc/55/93/88/988559388.db2.gz ZFMQXSKDELEQAF-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO CCCCCCC[C@@H](CC)[N@H+]1C[C@@H](O)[C@@H](N)C1 ZINC001246847294 988560939 /nfs/dbraw/zinc/56/09/39/988560939.db2.gz SKLMTLCGGDMDHU-HZSPNIEDSA-N 1 0 242.407 2.129 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C1=CCCC1 ZINC001499888684 988562104 /nfs/dbraw/zinc/56/21/04/988562104.db2.gz WJLDVIGYELPVTB-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@](C)(CNC(C)=O)C1 ZINC001500469199 988581796 /nfs/dbraw/zinc/58/17/96/988581796.db2.gz NKDKUWZSHQMKRU-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC)C1 ZINC001501066348 988593551 /nfs/dbraw/zinc/59/35/51/988593551.db2.gz FWXGIYIEAGIHGZ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[C@H](C)N1CCOC[C@@H]1C[NH3+] ZINC001246861343 988600301 /nfs/dbraw/zinc/60/03/01/988600301.db2.gz JJJZOXRCBRBMKF-KBPBESRZSA-N 1 0 242.407 2.395 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC001323785992 988612949 /nfs/dbraw/zinc/61/29/49/988612949.db2.gz QDILLIBGZPQMTF-NSHDSACASA-N 1 0 238.356 2.228 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC1([NH2+]CC)CCC1 ZINC001501997875 988625142 /nfs/dbraw/zinc/62/51/42/988625142.db2.gz YKTHYBFJMWTWEV-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCCN(C)[C@@H]1CCCC[NH2+]C1 ZINC001246871979 988637986 /nfs/dbraw/zinc/63/79/86/988637986.db2.gz SKGCJEWTROPRGD-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC001324022266 988668661 /nfs/dbraw/zinc/66/86/61/988668661.db2.gz PYDNSLWINQABTG-BXUZGUMPSA-N 1 0 230.311 2.410 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CCC)[C@@H](C)C1 ZINC001324040331 988676077 /nfs/dbraw/zinc/67/60/77/988676077.db2.gz ANUDUNGJCMZCNN-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC001505425357 988682824 /nfs/dbraw/zinc/68/28/24/988682824.db2.gz BJNFEBLHZMNEPR-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(CC)CC ZINC001505561233 988694212 /nfs/dbraw/zinc/69/42/12/988694212.db2.gz JTFWURMGFWKTIO-NWDGAFQWSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(=C)C ZINC001505575867 988695573 /nfs/dbraw/zinc/69/55/73/988695573.db2.gz RYHMKVWERAWJTF-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](C)CCC ZINC001118943191 988728176 /nfs/dbraw/zinc/72/81/76/988728176.db2.gz YWRCDNNKJKQXML-QWHCGFSZSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)CC ZINC001505874529 988728675 /nfs/dbraw/zinc/72/86/75/988728675.db2.gz UHOYXZUCQSSTGO-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCN([C@@H]1CC[C@@H](C)[NH2+]C1)C(C)(C)C ZINC001246919702 988730270 /nfs/dbraw/zinc/73/02/70/988730270.db2.gz JSVRCWZARQRSSV-VXGBXAGGSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CCN([C@@H]1CCCC[NH2+]C1)C(C)(C)C ZINC001246919749 988731201 /nfs/dbraw/zinc/73/12/01/988731201.db2.gz KMPFVSRTTWSFGP-GFCCVEGCSA-N 1 0 210.365 2.415 20 30 BEEDRO CC(C[NH+]1CCCCCC1)=NNCC(C)C ZINC001324210143 988755907 /nfs/dbraw/zinc/75/59/07/988755907.db2.gz MJFQCIZTRZVNLF-UHFFFAOYSA-N 1 0 225.380 2.484 20 30 BEEDRO C=C(Cl)CN(C)[C@H](C)CNC(=O)C(C)(C)C ZINC001506045402 988761323 /nfs/dbraw/zinc/76/13/23/988761323.db2.gz VJOOOTNIAIVXCR-SNVBAGLBSA-N 1 0 246.782 2.222 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)[C@H](C)CC)CC1 ZINC001324296217 988783195 /nfs/dbraw/zinc/78/31/95/988783195.db2.gz PIXCIRFFBANYDU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH+]1CC([C@H](C)NC(=O)C(C)C)C1 ZINC001506592703 988789686 /nfs/dbraw/zinc/78/96/86/988789686.db2.gz VIAILLLXVZQCAK-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC001506892583 988795820 /nfs/dbraw/zinc/79/58/20/988795820.db2.gz QIJMFTQVSBWDAZ-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2ncccc12 ZINC001119029365 988798403 /nfs/dbraw/zinc/79/84/03/988798403.db2.gz XXHZMAUAYKYFQD-CYBMUJFWSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]C[C@H](F)CC ZINC001507057250 988812808 /nfs/dbraw/zinc/81/28/08/988812808.db2.gz QVYJEYCMTPWZHT-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C[C@@H](C#N)CNCc1cccn1C1CC1 ZINC001324369401 988815193 /nfs/dbraw/zinc/81/51/93/988815193.db2.gz MMYUAKKFLHJABS-JTQLQIEISA-N 1 0 203.289 2.072 20 30 BEEDRO C#CCN(Cc1cc(F)ncc1F)CC1CC1 ZINC001324365493 988815470 /nfs/dbraw/zinc/81/54/70/988815470.db2.gz RMBBRBHBNFRWEF-UHFFFAOYSA-N 1 0 236.265 2.205 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH2+]CC)[C@H]1C ZINC001507279673 988834433 /nfs/dbraw/zinc/83/44/33/988834433.db2.gz AOFUFFOLPZWDJO-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(=O)N[C@@H](C[NH2+]CC=C)C(C)(C)C ZINC001507901832 988846106 /nfs/dbraw/zinc/84/61/06/988846106.db2.gz MBVQZXMVYGANJL-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO Cc1c([C@H](C)[NH2+]C[C@H](C)CCC#N)cnn1C ZINC001119238937 988856259 /nfs/dbraw/zinc/85/62/59/988856259.db2.gz CLIWPXDMHRYDQD-MNOVXSKESA-N 1 0 234.347 2.319 20 30 BEEDRO CCN(CC1(C#N)CC1)[C@@H](CO)c1ccccc1 ZINC001119270789 988875570 /nfs/dbraw/zinc/87/55/70/988875570.db2.gz PNUKEFWBMBPUDI-AWEZNQCLSA-N 1 0 244.338 2.346 20 30 BEEDRO CC[C@@H](N)c1nc(-c2cc(F)cc(C#N)c2)no1 ZINC001247490403 988896165 /nfs/dbraw/zinc/89/61/65/988896165.db2.gz DMGYBKYUHUJFIJ-SNVBAGLBSA-N 1 0 246.245 2.157 20 30 BEEDRO CO[C@@H]1CC[C@@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC001119302866 988908782 /nfs/dbraw/zinc/90/87/82/988908782.db2.gz VNZGFOLXYFBKTB-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2csnn2)CC1 ZINC001119303861 988917289 /nfs/dbraw/zinc/91/72/89/988917289.db2.gz KGJOZWATPNGRNK-UHFFFAOYSA-N 1 0 236.344 2.100 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](C)CCC ZINC001119306473 988919339 /nfs/dbraw/zinc/91/93/39/988919339.db2.gz FCZVQCUYCIGPHU-MWLCHTKSSA-N 1 0 246.782 2.399 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001119316277 988934708 /nfs/dbraw/zinc/93/47/08/988934708.db2.gz HTPJKZSQANFAFX-UHFFFAOYSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)c1ccc(C[NH3+])o1 ZINC001514881202 988957989 /nfs/dbraw/zinc/95/79/89/988957989.db2.gz GNQKPGUTUPHASK-NSHDSACASA-N 1 0 248.326 2.309 20 30 BEEDRO C=CC[C@H](C)OC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001119354905 988998655 /nfs/dbraw/zinc/99/86/55/988998655.db2.gz NQNKDMFTWSLWFL-SRVKXCTJSA-N 1 0 225.332 2.367 20 30 BEEDRO C#CC[C@H]1CCCN(c2cc[nH+]cc2)C1 ZINC001515221842 989003790 /nfs/dbraw/zinc/00/37/90/989003790.db2.gz IHRZJNLIRJOMMC-LBPRGKRZSA-N 1 0 200.285 2.321 20 30 BEEDRO Cc1ccoc1C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC001119450071 989080321 /nfs/dbraw/zinc/08/03/21/989080321.db2.gz LRLPVBRWQYZMEN-CHWSQXEVSA-N 1 0 247.342 2.006 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)CCC1CCCC1 ZINC001119515806 989119440 /nfs/dbraw/zinc/11/94/40/989119440.db2.gz LJEDGLMAEXJDNT-OCCSQVGLSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C[C@H](CC)CC(=O)O[C@H](CC)C[NH+](C)C ZINC001516655717 989166945 /nfs/dbraw/zinc/16/69/45/989166945.db2.gz JQKVZEKXJNFJNP-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO N#CC1CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248820143 989171499 /nfs/dbraw/zinc/17/14/99/989171499.db2.gz ACVRFEDFYGWHOU-UHFFFAOYSA-N 1 0 229.327 2.170 20 30 BEEDRO C#CC[N@@H+](C)Cc1cn(C)c2ccnc(Cl)c12 ZINC001248837470 989188286 /nfs/dbraw/zinc/18/82/86/989188286.db2.gz DSQBORMAOVNHSY-UHFFFAOYSA-N 1 0 247.729 2.292 20 30 BEEDRO C=CC[N@H+](Cc1cc(=O)[nH]c(C2CC2)n1)C(C)C ZINC001325499765 989201589 /nfs/dbraw/zinc/20/15/89/989201589.db2.gz YNMJSIFPWRGQMX-UHFFFAOYSA-N 1 0 247.342 2.456 20 30 BEEDRO CC[C@](C)([NH3+])c1nc(-c2cccc(C#N)c2)no1 ZINC001249282356 989267552 /nfs/dbraw/zinc/26/75/52/989267552.db2.gz VFSAABHGKIOEGK-ZDUSSCGKSA-N 1 0 242.282 2.192 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@](CO)(C(C)C)C1 ZINC001325875320 989293255 /nfs/dbraw/zinc/29/32/55/989293255.db2.gz UNOCKRZGBMMFIK-KBPBESRZSA-N 1 0 223.360 2.129 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCC1=O ZINC001119744324 989376437 /nfs/dbraw/zinc/37/64/37/989376437.db2.gz YGGFYOWXMYBBFL-PNESKVBLSA-N 1 0 234.343 2.227 20 30 BEEDRO C#CCN(Cc1cc(C)cc(C)n1)C1CC1 ZINC001119819287 989420226 /nfs/dbraw/zinc/42/02/26/989420226.db2.gz YBGVYLMQSFHYBU-UHFFFAOYSA-N 1 0 214.312 2.296 20 30 BEEDRO CC[N@H+](C[C@H](O)CC#N)[C@H]1CCCC[C@@H]1C ZINC001119836167 989432033 /nfs/dbraw/zinc/43/20/33/989432033.db2.gz AUCGMPXJJTYPDY-XQQFMLRXSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CC[N@@H+](CC[C@H]1CCOC1)C(C)(C)C ZINC001119846279 989439912 /nfs/dbraw/zinc/43/99/12/989439912.db2.gz PVUXIBHMMPMAKE-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#Cc1ccc(NC(=O)C[N@@H+](CC)C2CC2)cc1 ZINC001119925552 989487327 /nfs/dbraw/zinc/48/73/27/989487327.db2.gz VRJUFBIEUGFAOO-UHFFFAOYSA-N 1 0 242.322 2.091 20 30 BEEDRO C=CC[N@@H+](C)Cc1cn2ccnc2s1 ZINC001119959634 989509923 /nfs/dbraw/zinc/50/99/23/989509923.db2.gz USJSOIIFDYBZBO-UHFFFAOYSA-N 1 0 207.302 2.014 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC001326643922 989641675 /nfs/dbraw/zinc/64/16/75/989641675.db2.gz QBFLCQIIFNZYEI-VXGBXAGGSA-N 1 0 227.373 2.016 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC001120493405 989676435 /nfs/dbraw/zinc/67/64/35/989676435.db2.gz VSZXVVUHJFHXFG-OBJOEFQTSA-N 1 0 219.328 2.315 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC001521534183 989731437 /nfs/dbraw/zinc/73/14/37/989731437.db2.gz SOIHQVBGURCOSF-CHWSQXEVSA-N 1 0 238.375 2.176 20 30 BEEDRO CCC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CCC1 ZINC001120583883 989757328 /nfs/dbraw/zinc/75/73/28/989757328.db2.gz ZTVLGZWDFHXROR-GFCCVEGCSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001120696664 989835217 /nfs/dbraw/zinc/83/52/17/989835217.db2.gz TZLQSHLQJGJHRM-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC(C)(F)CC1 ZINC001522298597 989845258 /nfs/dbraw/zinc/84/52/58/989845258.db2.gz PBUHSOJGJCXJAS-NSHDSACASA-N 1 0 242.338 2.021 20 30 BEEDRO C=CCCCN(CC)C(=O)C12CCC(CC1)[NH2+]2 ZINC001523560611 989934215 /nfs/dbraw/zinc/93/42/15/989934215.db2.gz VXIBPFAWDDQGLJ-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@@H]2CCCC[N@H+]2C)c1 ZINC001120885617 989946778 /nfs/dbraw/zinc/94/67/78/989946778.db2.gz ZYRQDGUPEXHOFY-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)C[C@@H](C)CC ZINC001121876343 990107667 /nfs/dbraw/zinc/10/76/67/990107667.db2.gz ZVJQPKPYHSCCAO-NWDGAFQWSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CCC)CC(F)F ZINC001121944460 990149106 /nfs/dbraw/zinc/14/91/06/990149106.db2.gz PKYBSKRFISSOHL-SNVBAGLBSA-N 1 0 248.317 2.174 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001527845442 990248061 /nfs/dbraw/zinc/24/80/61/990248061.db2.gz ZRVSYSDTMCDCBB-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CCCC[NH2+]C ZINC001122201691 990288234 /nfs/dbraw/zinc/28/82/34/990288234.db2.gz RKKIYIMRUHIIII-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC001122404059 990374147 /nfs/dbraw/zinc/37/41/47/990374147.db2.gz OKCXJZNNYSJACP-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)C1CCC1 ZINC001122470207 990392504 /nfs/dbraw/zinc/39/25/04/990392504.db2.gz OPKUFXSYRHDTCX-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1CC=CCC1 ZINC001123403221 990576193 /nfs/dbraw/zinc/57/61/93/990576193.db2.gz DUPGSHQFGSMNIW-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC001540129960 990591283 /nfs/dbraw/zinc/59/12/83/990591283.db2.gz OOLVDMGKPOJTCM-AAEUAGOBSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC(C)C)C(=O)N(CCC)CC[NH+](C)C ZINC001123557706 990610893 /nfs/dbraw/zinc/61/08/93/990610893.db2.gz ZQGTYQOGYBMYLT-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](CC)CCCC ZINC001123935514 990708943 /nfs/dbraw/zinc/70/89/43/990708943.db2.gz FFVTUQCCQJBLLK-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH2+]CC(=C)C ZINC001567046109 990799931 /nfs/dbraw/zinc/79/99/31/990799931.db2.gz PDUPYVULOMUSCO-QWHCGFSZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)CC(=C)C ZINC001567298374 990801547 /nfs/dbraw/zinc/80/15/47/990801547.db2.gz ONYSEESICHRDBN-ZDUSSCGKSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)CCC ZINC001124953954 990813115 /nfs/dbraw/zinc/81/31/15/990813115.db2.gz YRXRQULDXICTJR-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001556474184 990828944 /nfs/dbraw/zinc/82/89/44/990828944.db2.gz CAXLTGRTIPPBKQ-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCc2cnn(CC)c2)C1 ZINC000829810924 990867934 /nfs/dbraw/zinc/86/79/34/990867934.db2.gz WLMMKBZHZDKJBI-AWEZNQCLSA-N 1 0 245.370 2.181 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001558295035 990935639 /nfs/dbraw/zinc/93/56/39/990935639.db2.gz NTPNRQKLMCXLPP-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO CC[C@@](C)(C#N)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001558590595 990975234 /nfs/dbraw/zinc/97/52/34/990975234.db2.gz SIWWJKDWKURZAB-ZDUSSCGKSA-N 1 0 242.282 2.213 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc(CC=C)c1O ZINC001138628487 990984619 /nfs/dbraw/zinc/98/46/19/990984619.db2.gz VKALXIMOYXAVBK-UHFFFAOYSA-N 1 0 215.296 2.186 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1O ZINC001138623496 990985638 /nfs/dbraw/zinc/98/56/38/990985638.db2.gz GZEVHYSHTMEFOY-CQSZACIVSA-N 1 0 247.338 2.077 20 30 BEEDRO CNc1ncccc1C[NH+]1CCC(CC#N)CC1 ZINC001138692857 991003741 /nfs/dbraw/zinc/00/37/41/991003741.db2.gz GLBHNKSNPHHHAW-UHFFFAOYSA-N 1 0 244.342 2.249 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CCCC(=O)OCC ZINC001258106500 991016365 /nfs/dbraw/zinc/01/63/65/991016365.db2.gz DBQGWPDLBCXDGP-OCCSQVGLSA-N 1 0 239.359 2.500 20 30 BEEDRO C[C@@H]1CC(NC2(C#N)CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258159818 991050168 /nfs/dbraw/zinc/05/01/68/991050168.db2.gz HEMHCXTXXYGVES-STQMWFEESA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CCCN(Cc2cccnc2F)CC1 ZINC001138787102 991054856 /nfs/dbraw/zinc/05/48/56/991054856.db2.gz CCLRPFYUGRYGAE-NSHDSACASA-N 1 0 233.290 2.346 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(C#N)nc1 ZINC001258182260 991083294 /nfs/dbraw/zinc/08/32/94/991083294.db2.gz MZIBAYKVGRLGPV-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO CC#CCC[NH2+]Cc1c(F)nccc1Cl ZINC001308656503 991086292 /nfs/dbraw/zinc/08/62/92/991086292.db2.gz OHQPGTATDVOMEH-UHFFFAOYSA-N 1 0 226.682 2.377 20 30 BEEDRO CCCn1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001139039849 991127305 /nfs/dbraw/zinc/12/73/05/991127305.db2.gz BZMDAGHDFMNHGI-ZDUSSCGKSA-N 1 0 246.358 2.419 20 30 BEEDRO C#C[C@@H]1COCC[N@H+]1C[C@H]1C(C)=CCC[C@@H]1C ZINC001308813600 991149435 /nfs/dbraw/zinc/14/94/35/991149435.db2.gz VCMBFDDELIPPTR-ZNMIVQPWSA-N 1 0 233.355 2.313 20 30 BEEDRO CSCC[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001258223045 991152366 /nfs/dbraw/zinc/15/23/66/991152366.db2.gz UYYWWIBCBVDLRD-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)CCSC)CC1 ZINC001258227371 991159738 /nfs/dbraw/zinc/15/97/38/991159738.db2.gz YZYDBBIDLATHFT-LLVKDONJSA-N 1 0 211.374 2.473 20 30 BEEDRO C#C[C@@H](CO)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC001308883377 991199169 /nfs/dbraw/zinc/19/91/69/991199169.db2.gz RRKSOJFFBYGCOZ-KBPBESRZSA-N 1 0 223.360 2.343 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2c(c1)COC(C)(C)O2 ZINC001308962647 991234604 /nfs/dbraw/zinc/23/46/04/991234604.db2.gz BYUDDSPRQOIKDH-UHFFFAOYSA-N 1 0 245.322 2.397 20 30 BEEDRO C#CC[N@@H+](C)CC1(CCCOC)CCC1 ZINC001308962581 991234809 /nfs/dbraw/zinc/23/48/09/991234809.db2.gz AUOJJWVPFWQDLH-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO CC1(C[NH2+]CC2(C#N)CCOCC2)CCCC1 ZINC001308977807 991245786 /nfs/dbraw/zinc/24/57/86/991245786.db2.gz SSJUBTOPUUSPAJ-UHFFFAOYSA-N 1 0 236.359 2.477 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001308988394 991255207 /nfs/dbraw/zinc/25/52/07/991255207.db2.gz AUWGZBJQUNUIBB-BFHYXJOUSA-N 1 0 221.344 2.480 20 30 BEEDRO C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H](C)CCC ZINC001317477004 991261290 /nfs/dbraw/zinc/26/12/90/991261290.db2.gz DHWJNSGEIYLOAJ-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC001559820096 991266479 /nfs/dbraw/zinc/26/64/79/991266479.db2.gz FGQZCXXOYDKJDA-NEPJUHHUSA-N 1 0 211.349 2.173 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCC(C)(F)F ZINC001161190030 991292865 /nfs/dbraw/zinc/29/28/65/991292865.db2.gz NWZDBDUQYLDIDQ-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO N#Cc1ccc(F)c(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001139647328 991304209 /nfs/dbraw/zinc/30/42/09/991304209.db2.gz WIYWJFIRLNIAOS-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO CCC[N@H+](CCC#N)CC1(CC)COC1 ZINC001202958857 991312638 /nfs/dbraw/zinc/31/26/38/991312638.db2.gz XJHDPEHDERCFHW-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC001139726952 991345690 /nfs/dbraw/zinc/34/56/90/991345690.db2.gz CYXHNARIJXXZFW-AWEZNQCLSA-N 1 0 242.322 2.278 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@H](F)CC2)cn1 ZINC001139765435 991354671 /nfs/dbraw/zinc/35/46/71/991354671.db2.gz CRIVVWGEVNWGHT-ZDUSSCGKSA-N 1 0 237.322 2.393 20 30 BEEDRO C=CCn1cc(C[NH+]2CCC3(CC3)CC2)cn1 ZINC001139767770 991358719 /nfs/dbraw/zinc/35/87/19/991358719.db2.gz AYLXQGNWUNUMAH-UHFFFAOYSA-N 1 0 231.343 2.445 20 30 BEEDRO C=CCn1cc(C[NH+]2CCC(F)CC2)cn1 ZINC001139766219 991361711 /nfs/dbraw/zinc/36/17/11/991361711.db2.gz MBLGIUHZPMZLLD-UHFFFAOYSA-N 1 0 223.295 2.003 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001139772401 991363505 /nfs/dbraw/zinc/36/35/05/991363505.db2.gz IFYBZRDMKZSBJH-CYBMUJFWSA-N 1 0 244.342 2.195 20 30 BEEDRO C=CCn1cc(C[N@H+]2C[C@H](C)CC23CC3)cn1 ZINC001139770952 991364731 /nfs/dbraw/zinc/36/47/31/991364731.db2.gz IRBBOQMVGWQVLG-GFCCVEGCSA-N 1 0 231.343 2.444 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)cn1 ZINC001139770172 991365674 /nfs/dbraw/zinc/36/56/74/991365674.db2.gz GCLPYIVHLHFEHI-CYBMUJFWSA-N 1 0 244.342 2.195 20 30 BEEDRO C=CCn1cc(C[NH+]2CC3(C2)CCCC3)cn1 ZINC001139768917 991366236 /nfs/dbraw/zinc/36/62/36/991366236.db2.gz WMAROCATIJSQHO-UHFFFAOYSA-N 1 0 231.343 2.445 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@H](CF)C2)cn1 ZINC001139770632 991366258 /nfs/dbraw/zinc/36/62/58/991366258.db2.gz UUNQATKBSPCLAP-GFCCVEGCSA-N 1 0 237.322 2.251 20 30 BEEDRO C#CC[N@@H+](C[C@H](CC(C)C)OC)C(C)C ZINC001560164903 991399428 /nfs/dbraw/zinc/39/94/28/991399428.db2.gz SCLRZWXEVZLDNT-ZDUSSCGKSA-N 1 0 211.349 2.391 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CCC)C1 ZINC001316973386 991432015 /nfs/dbraw/zinc/43/20/15/991432015.db2.gz ZLCUCSVNVKNHKM-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN(CCCC(C)(C)C#N)C1 ZINC001560243052 991440856 /nfs/dbraw/zinc/44/08/56/991440856.db2.gz NGTOSJVSFNXOQT-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)[C@H](CO)[NH2+]CCCCC1(C#N)CCC1 ZINC001560242990 991442691 /nfs/dbraw/zinc/44/26/91/991442691.db2.gz OVZGYWGGFUVQEJ-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC001317052855 991444577 /nfs/dbraw/zinc/44/45/77/991444577.db2.gz KYPQPRZUNVFGHM-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001317077434 991446655 /nfs/dbraw/zinc/44/66/55/991446655.db2.gz GVLYNGRPZSQPSM-JOCQHMNTSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001317102849 991450379 /nfs/dbraw/zinc/45/03/79/991450379.db2.gz JYPINQGETYNBRB-SFHCTESPSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](CNC(=O)CC)C1 ZINC001317128051 991454514 /nfs/dbraw/zinc/45/45/14/991454514.db2.gz JPYLVPULODBRBO-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H](C)CCC(=O)OCC ZINC001258496004 991464952 /nfs/dbraw/zinc/46/49/52/991464952.db2.gz OBXQRFCFCQKKHT-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)CCC(=O)OCC)CC1 ZINC001258503609 991466761 /nfs/dbraw/zinc/46/67/61/991466761.db2.gz YCOULUCJDYNDGY-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CNC(=O)C1(C)CC1 ZINC001317241421 991475268 /nfs/dbraw/zinc/47/52/68/991475268.db2.gz LDGMPEXLYZVKBS-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]CC[C@H](C)F ZINC001317246286 991477622 /nfs/dbraw/zinc/47/76/22/991477622.db2.gz VCOLEUQWUCQEMY-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cnc(C3CC3)nc2)CC1 ZINC001560457481 991480355 /nfs/dbraw/zinc/48/03/55/991480355.db2.gz FPYBIMVEEBOZLO-UHFFFAOYSA-N 1 0 242.326 2.137 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1CC ZINC001317270984 991484450 /nfs/dbraw/zinc/48/44/50/991484450.db2.gz NNNQGFJHCUVCGD-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)C1(CC)CCCC1 ZINC001317274113 991484734 /nfs/dbraw/zinc/48/47/34/991484734.db2.gz DENCHXMVXAVVFP-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)CC[C@H](C)CC ZINC001317281072 991486002 /nfs/dbraw/zinc/48/60/02/991486002.db2.gz OEIUFKHXMZULBI-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1CCCC1 ZINC001317392004 991496520 /nfs/dbraw/zinc/49/65/20/991496520.db2.gz SYPHCSUQNHSIIC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)CCC(C)(F)F ZINC001317398856 991500532 /nfs/dbraw/zinc/50/05/32/991500532.db2.gz RAKMEAUPRBEIJL-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C[NH+]1CCC(C#N)(N[C@@H]2CCC(C)(C)C2)CC1 ZINC001258600263 991501188 /nfs/dbraw/zinc/50/11/88/991501188.db2.gz PDOQKURIFACKFR-GFCCVEGCSA-N 1 0 235.375 2.143 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCc2ccns2)cc1 ZINC001560571403 991503195 /nfs/dbraw/zinc/50/31/95/991503195.db2.gz RLOCIGUDFHDBLQ-UHFFFAOYSA-N 1 0 242.347 2.457 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)CC(C)(C)C ZINC001317438383 991507278 /nfs/dbraw/zinc/50/72/78/991507278.db2.gz BUOHENMBBSEISQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)C(CC)CC ZINC001317439090 991509322 /nfs/dbraw/zinc/50/93/22/991509322.db2.gz LXWNLNICXAGCCF-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCNC(=O)/C=C(/C)CC ZINC001317442947 991515429 /nfs/dbraw/zinc/51/54/29/991515429.db2.gz FDKCXUUPOTVSPS-QBFSEMIESA-N 1 0 238.375 2.357 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2F)C1 ZINC001140128735 991524292 /nfs/dbraw/zinc/52/42/92/991524292.db2.gz AVLFFKLXGGZEDJ-NSHDSACASA-N 1 0 233.286 2.377 20 30 BEEDRO Fc1cccc(C[NH+]2CCC(S)CC2)n1 ZINC001140134449 991539125 /nfs/dbraw/zinc/53/91/25/991539125.db2.gz ZEATYHNPGJCQCF-UHFFFAOYSA-N 1 0 226.320 2.115 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H]1CCC[N@H+]1C(C)C ZINC001317504892 991543470 /nfs/dbraw/zinc/54/34/70/991543470.db2.gz HILZJNRYLQPPEO-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C#N)C2)c1O ZINC001140182294 991554103 /nfs/dbraw/zinc/55/41/03/991554103.db2.gz NPRQHQWAANZYPZ-LBPRGKRZSA-N 1 0 230.311 2.355 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC001317632221 991568122 /nfs/dbraw/zinc/56/81/22/991568122.db2.gz GXWRAVNFOLNRLS-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](C)Cc1c[nH]c2cccc(O)c12 ZINC001140235873 991571452 /nfs/dbraw/zinc/57/14/52/991571452.db2.gz RECKVURDYFHBAK-UHFFFAOYSA-N 1 0 216.284 2.491 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH+]1CCC(S)CC1 ZINC001258630652 991572225 /nfs/dbraw/zinc/57/22/25/991572225.db2.gz WVUWWVVPWDKKSO-LLVKDONJSA-N 1 0 236.384 2.407 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@]1(C)CCCCO1 ZINC001560732355 991577659 /nfs/dbraw/zinc/57/76/59/991577659.db2.gz JRVNGBZZALVNOI-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccncc1O ZINC001140277119 991589477 /nfs/dbraw/zinc/58/94/77/991589477.db2.gz UAABMOIIRWKAJM-UOJUARBOSA-N 1 0 243.310 2.054 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2ccncc2F)c1 ZINC001560887533 991638026 /nfs/dbraw/zinc/63/80/26/991638026.db2.gz UZHFBPBINPCXEH-UHFFFAOYSA-N 1 0 240.281 2.492 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CC(=O)OCC ZINC001258717962 991639905 /nfs/dbraw/zinc/63/99/05/991639905.db2.gz AMCGXLJXJASHQE-WDEREUQCSA-N 1 0 213.321 2.272 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC(=O)NC1CCCC1 ZINC001258716825 991641260 /nfs/dbraw/zinc/64/12/60/991641260.db2.gz CQAABGKHNRCTQA-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(F)CCOCC1 ZINC001258718093 991644866 /nfs/dbraw/zinc/64/48/66/991644866.db2.gz GCFNOLRNAVIYTK-NSHDSACASA-N 1 0 215.312 2.449 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1(c2cnn(C)c2)CC1 ZINC001258717977 991646564 /nfs/dbraw/zinc/64/65/64/991646564.db2.gz BIJSPKMLLABERB-LLVKDONJSA-N 1 0 219.332 2.354 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1F ZINC001258719820 991649497 /nfs/dbraw/zinc/64/94/97/991649497.db2.gz KODJVZFKVKNXJD-GARJFASQSA-N 1 0 201.285 2.058 20 30 BEEDRO C=CCCC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001318356074 991651124 /nfs/dbraw/zinc/65/11/24/991651124.db2.gz DXNVHYOSYJUBLU-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCC(F)(F)C1 ZINC001258720874 991651554 /nfs/dbraw/zinc/65/15/54/991651554.db2.gz IBCHFZKYNDBCOF-NSHDSACASA-N 1 0 232.318 2.272 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)C(=O)OCC ZINC001258720817 991652168 /nfs/dbraw/zinc/65/21/68/991652168.db2.gz GSHOPNCPTYFJFA-QWRGUYRKSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)C(=O)OCC ZINC001258720815 991652976 /nfs/dbraw/zinc/65/29/76/991652976.db2.gz GSHOPNCPTYFJFA-GHMZBOCLSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCCC(=O)OC ZINC001258720939 991653074 /nfs/dbraw/zinc/65/30/74/991653074.db2.gz JQDHFXJFNKKFDJ-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CN(c2ccccn2)C1 ZINC001258722797 991655628 /nfs/dbraw/zinc/65/56/28/991655628.db2.gz NDBZBMCZOIWRQV-GFCCVEGCSA-N 1 0 231.343 2.215 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccnc(OCC)n1 ZINC001258722557 991656662 /nfs/dbraw/zinc/65/66/62/991656662.db2.gz JTZDDIOOQCZRSK-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(OCC)ncn1 ZINC001258724186 991658649 /nfs/dbraw/zinc/65/86/49/991658649.db2.gz PSKLSQGFVZZTCG-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCOC[C@@H]1F ZINC001258723996 991659092 /nfs/dbraw/zinc/65/90/92/991659092.db2.gz KODJVZFKVKNXJD-VWYCJHECSA-N 1 0 201.285 2.058 20 30 BEEDRO C=CCC[C@H](C)n1c(C[NH3+])nc2cnccc21 ZINC001258724059 991659294 /nfs/dbraw/zinc/65/92/94/991659294.db2.gz MBDJWQIFAITRFU-JTQLQIEISA-N 1 0 230.315 2.417 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(c2cnccn2)CC1 ZINC001258723516 991660109 /nfs/dbraw/zinc/66/01/09/991660109.db2.gz XAJQDZNODLSCRI-GFCCVEGCSA-N 1 0 231.343 2.453 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1ccc(C#N)nc1 ZINC001140540268 991660893 /nfs/dbraw/zinc/66/08/93/991660893.db2.gz OZFAPGPOWMJUHP-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cn(C3CC3)cn2)C1 ZINC001560947722 991662398 /nfs/dbraw/zinc/66/23/98/991662398.db2.gz GITOELSJCLZDKT-LBPRGKRZSA-N 1 0 229.327 2.063 20 30 BEEDRO N#Cc1ccc(CN2CCCC[C@H](F)C2)cn1 ZINC001140540526 991665382 /nfs/dbraw/zinc/66/53/82/991665382.db2.gz ZNCZCNWFDRYZAU-LBPRGKRZSA-N 1 0 233.290 2.277 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)nc1)C(C)C ZINC001140540805 991665930 /nfs/dbraw/zinc/66/59/30/991665930.db2.gz MPZNKRVVWBHNIB-UHFFFAOYSA-N 1 0 203.289 2.184 20 30 BEEDRO N#Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cn1 ZINC001140540584 991666045 /nfs/dbraw/zinc/66/60/45/991666045.db2.gz CDLPBVQQKYGPAA-CHWSQXEVSA-N 1 0 227.311 2.185 20 30 BEEDRO C[C@@H]1CCN(Cc2ccc(C#N)nc2)C[C@H]1F ZINC001140540062 991666368 /nfs/dbraw/zinc/66/63/68/991666368.db2.gz IATQYXDBRUZDDD-ZWNOBZJWSA-N 1 0 233.290 2.133 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001258725921 991667602 /nfs/dbraw/zinc/66/76/02/991667602.db2.gz ONXKIECIRRCIJG-NSHDSACASA-N 1 0 235.331 2.110 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCCC2(COC2)C1 ZINC001258727663 991667974 /nfs/dbraw/zinc/66/79/74/991667974.db2.gz IGKIEWRFOXULDP-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc2n(n1)CCCO2 ZINC001258725920 991668495 /nfs/dbraw/zinc/66/84/95/991668495.db2.gz ONXKIECIRRCIJG-LLVKDONJSA-N 1 0 235.331 2.110 20 30 BEEDRO C[N@H+](CCC1CC1)Cc1ccc(C#N)nc1 ZINC001140545795 991668576 /nfs/dbraw/zinc/66/85/76/991668576.db2.gz LGGQKEARVABLFQ-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001258731228 991671926 /nfs/dbraw/zinc/67/19/26/991671926.db2.gz BOMXXNCVZRMDIX-YNEHKIRRSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001258731907 991676023 /nfs/dbraw/zinc/67/60/23/991676023.db2.gz FESDSVHJUZDGQQ-AVGNSLFASA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCc2ncn(C)c2C1 ZINC001258732663 991676581 /nfs/dbraw/zinc/67/65/81/991676581.db2.gz AYPXHDMMOPJIQB-LLVKDONJSA-N 1 0 219.332 2.133 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCc2ncn(C)c2C1 ZINC001258732664 991676768 /nfs/dbraw/zinc/67/67/68/991676768.db2.gz AYPXHDMMOPJIQB-NSHDSACASA-N 1 0 219.332 2.133 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](CC(=O)OCC)C1CC1 ZINC001258733675 991679275 /nfs/dbraw/zinc/67/92/75/991679275.db2.gz LIFMSEZTMQKPRW-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](F)C(C)C ZINC001318561753 991679952 /nfs/dbraw/zinc/67/99/52/991679952.db2.gz JVZQBJZQJYORJC-NEPJUHHUSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[C@@H](C)n1c2c(sc1=N)C[NH2+]CC2 ZINC001258734581 991679982 /nfs/dbraw/zinc/67/99/82/991679982.db2.gz FNOKUCYDMMQFSD-SECBINFHSA-N 1 0 237.372 2.202 20 30 BEEDRO C=CCC[C@H](C)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC001258735484 991683180 /nfs/dbraw/zinc/68/31/80/991683180.db2.gz VJCHGZWJHYCBPT-MELADBBJSA-N 1 0 222.376 2.367 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCc2ncncc2C1 ZINC001258734982 991683464 /nfs/dbraw/zinc/68/34/64/991683464.db2.gz LULXGPYPIRMQMK-NSHDSACASA-N 1 0 217.316 2.189 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC001258735040 991683752 /nfs/dbraw/zinc/68/37/52/991683752.db2.gz NDMFWZIFHVGMIO-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001258734749 991684828 /nfs/dbraw/zinc/68/48/28/991684828.db2.gz IQRJLMKTHCPAAY-FRRDWIJNSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC(=O)NC2(CCCC2)C1 ZINC001258735788 991685464 /nfs/dbraw/zinc/68/54/64/991685464.db2.gz BZFKAAHFCAMPQJ-GFCCVEGCSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](Oc2cnccn2)C1 ZINC001258735974 991690142 /nfs/dbraw/zinc/69/01/42/991690142.db2.gz GZYVMZLIBHUYLS-QWHCGFSZSA-N 1 0 247.342 2.284 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001258736461 991690434 /nfs/dbraw/zinc/69/04/34/991690434.db2.gz UDQRSNOGPPLLRF-NDBYEHHHSA-N 1 0 237.343 2.367 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H](C1)C2C(=O)OC ZINC001258736021 991690452 /nfs/dbraw/zinc/69/04/52/991690452.db2.gz ISYNOYXFLOZQDV-FKJOKYEKSA-N 1 0 237.343 2.082 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001258735973 991690690 /nfs/dbraw/zinc/69/06/90/991690690.db2.gz GZYVMZLIBHUYLS-OLZOCXBDSA-N 1 0 247.342 2.284 20 30 BEEDRO C#CC[N@H+](C)C/C=C/c1ccc(F)cc1 ZINC001561032184 991694550 /nfs/dbraw/zinc/69/45/50/991694550.db2.gz SUIBATAGQFBAEG-SNAWJCMRSA-N 1 0 203.260 2.404 20 30 BEEDRO C=CC[NH2+]C[C@](C)(NC(=O)/C(C)=C/C)C1CC1 ZINC001318689093 991695613 /nfs/dbraw/zinc/69/56/13/991695613.db2.gz JTNJAVJVWPBPFM-MUAYPFOZSA-N 1 0 236.359 2.013 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC(F)F)C1 ZINC001561047391 991702708 /nfs/dbraw/zinc/70/27/08/991702708.db2.gz NTEAZJWKQJHHEE-RKDXNWHRSA-N 1 0 202.248 2.314 20 30 BEEDRO C#CCCCCCC[NH+]1CC(O)(CC=C)C1 ZINC001561048911 991704499 /nfs/dbraw/zinc/70/44/99/991704499.db2.gz HXUDTJLKIJDEPT-UHFFFAOYSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CCC1(O)C[NH+](CCc2ccc(C)cc2)C1 ZINC001561049437 991706749 /nfs/dbraw/zinc/70/67/49/991706749.db2.gz VOMPFAUUDVLXFW-UHFFFAOYSA-N 1 0 231.339 2.160 20 30 BEEDRO CC(C)CC[NH2+]CCNc1ncccc1C#N ZINC001561057900 991709190 /nfs/dbraw/zinc/70/91/90/991709190.db2.gz ZTQKRFYHEJPZML-UHFFFAOYSA-N 1 0 232.331 2.001 20 30 BEEDRO CCC[NH+]1CCC(NC2=CC(=O)CCC2)CC1 ZINC001258768021 991729307 /nfs/dbraw/zinc/72/93/07/991729307.db2.gz UYQHPUKXAZWVKQ-UHFFFAOYSA-N 1 0 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/nfs/dbraw/zinc/38/32/30/992383230.db2.gz WZPRRPMFHBUOAH-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC001320968414 992417628 /nfs/dbraw/zinc/41/76/28/992417628.db2.gz ZUQNCQNEUOQPTJ-NSHDSACASA-N 1 0 248.351 2.397 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2ccoc2)C1 ZINC001320967742 992420657 /nfs/dbraw/zinc/42/06/57/992420657.db2.gz PIIOKSMWRMXUSI-LBPRGKRZSA-N 1 0 207.273 2.057 20 30 BEEDRO C(=[NH+]NC1CC1)c1ccc(N2CCCC2)cc1 ZINC001321035142 992436539 /nfs/dbraw/zinc/43/65/39/992436539.db2.gz PXVDLCGDGVEIHU-UHFFFAOYSA-N 1 0 229.327 2.373 20 30 BEEDRO C=CC(C)(C)CC(=O)NC/C=C\C[NH2+]C(C)C ZINC001321078297 992448126 /nfs/dbraw/zinc/44/81/26/992448126.db2.gz SJNWTQWTKDWDQK-FPLPWBNLSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])C(C)(C)C ZINC001573308280 992458196 /nfs/dbraw/zinc/45/81/96/992458196.db2.gz RQWRPBTTZDBIHH-GRYCIOLGSA-N 1 0 236.359 2.069 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001570440030 992468510 /nfs/dbraw/zinc/46/85/10/992468510.db2.gz HMQKQIGJERMXNW-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C[C@H]1C=CCC1 ZINC001570452825 992470371 /nfs/dbraw/zinc/47/03/71/992470371.db2.gz ASMUAOGEKKASRX-STQMWFEESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)C1(C)CCC1 ZINC001321189992 992480730 /nfs/dbraw/zinc/48/07/30/992480730.db2.gz RMTVPRGGLPKODI-SNAWJCMRSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C=C(C)C ZINC001570586939 992486702 /nfs/dbraw/zinc/48/67/02/992486702.db2.gz FKKORGUOOMWLON-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccsc1 ZINC001570586915 992486868 /nfs/dbraw/zinc/48/68/68/992486868.db2.gz FCYGTWTWGVQHIV-NXEZZACHSA-N 1 0 238.356 2.031 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C)CCC1 ZINC001570628203 992490665 /nfs/dbraw/zinc/49/06/65/992490665.db2.gz RFWAIOJRRGKMOB-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)CN(C)C(C)=O ZINC001570667684 992495879 /nfs/dbraw/zinc/49/58/79/992495879.db2.gz SMPBVZVVIGZBNO-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C1CCC(C(=O)NC/C=C/C[NH2+]CC)CC1 ZINC001321232895 992496577 /nfs/dbraw/zinc/49/65/77/992496577.db2.gz NCZBOPMGVBTHKH-SNAWJCMRSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001570705847 992508673 /nfs/dbraw/zinc/50/86/73/992508673.db2.gz CACWLRYYEHVKRU-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H](C)[N@H+](C)C(C)C ZINC001570734177 992511010 /nfs/dbraw/zinc/51/10/10/992511010.db2.gz OPVKISGHRUDTKY-TZMCWYRMSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC(CC)CC ZINC001570744530 992511116 /nfs/dbraw/zinc/51/11/16/992511116.db2.gz SYSRRVKQELPITP-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ncccc1C ZINC001321300276 992512185 /nfs/dbraw/zinc/51/21/85/992512185.db2.gz RWVZSSJQZUHGQD-ZFWWWQNUSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001570745531 992514549 /nfs/dbraw/zinc/51/45/49/992514549.db2.gz IURJNDMBTLKPGY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC001321355332 992521436 /nfs/dbraw/zinc/52/14/36/992521436.db2.gz OMLMGVVZLHRLKW-BFHYXJOUSA-N 1 0 235.375 2.000 20 30 BEEDRO CCCCCCCNC(=O)NCC[C@H](C)[NH2+]C ZINC001261818198 992521720 /nfs/dbraw/zinc/52/17/20/992521720.db2.gz ONHPQXQGUKMBHT-LBPRGKRZSA-N 1 0 243.395 2.254 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H](C[NH2+]CC)C1CC1 ZINC001571361247 992538963 /nfs/dbraw/zinc/53/89/63/992538963.db2.gz KKARORQCXXMLTE-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CCC ZINC001571375384 992541974 /nfs/dbraw/zinc/54/19/74/992541974.db2.gz UVMHPAVZOUUYAS-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC ZINC001571373927 992543463 /nfs/dbraw/zinc/54/34/63/992543463.db2.gz RFEPPLSDZSFYQO-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)CCC ZINC001571375292 992544045 /nfs/dbraw/zinc/54/40/45/992544045.db2.gz SIDYVXRGICFCMF-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H](C)CC ZINC001571383716 992547474 /nfs/dbraw/zinc/54/74/74/992547474.db2.gz ABYPOVRUGREUKR-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C/C=C(/C)C=C)[C@H]1C ZINC001571460430 992562279 /nfs/dbraw/zinc/56/22/79/992562279.db2.gz VPNQDSXWNUJFKB-LPEQCFEDSA-N 1 0 248.370 2.274 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC001571469317 992564561 /nfs/dbraw/zinc/56/45/61/992564561.db2.gz OJKQJLPMVNTZAP-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccoc2)C1 ZINC001571472119 992568275 /nfs/dbraw/zinc/56/82/75/992568275.db2.gz ZTEFTIGFUXUCHD-DGCLKSJQSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC)C1 ZINC001571542945 992569788 /nfs/dbraw/zinc/56/97/88/992569788.db2.gz VLQHFJAXVWNEEH-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)C(C)C)C(C)(C)C ZINC001571618748 992575202 /nfs/dbraw/zinc/57/52/02/992575202.db2.gz CCAWLPUPXHLWIH-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)C(CC)CC)C1 ZINC001571654135 992581466 /nfs/dbraw/zinc/58/14/66/992581466.db2.gz QOFTYYSYYCBWGL-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc(Cl)c1N ZINC001262031040 992618158 /nfs/dbraw/zinc/61/81/58/992618158.db2.gz FIZOZBVQTMPPQS-SNVBAGLBSA-N 1 0 240.734 2.213 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)CCc1cccc(F)c1 ZINC001262112777 992686311 /nfs/dbraw/zinc/68/63/11/992686311.db2.gz SJMRFOZXEXCPIR-IUODEOHRSA-N 1 0 249.329 2.121 20 30 BEEDRO N#CC1(CCCC[NH2+][C@H](CO)C2CC2)CCC1 ZINC001262258268 992821789 /nfs/dbraw/zinc/82/17/89/992821789.db2.gz GIIMVZLOGPAOEC-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](COC)C(C)C ZINC001262275804 992830759 /nfs/dbraw/zinc/83/07/59/992830759.db2.gz MDJJGXRHZIDXBX-LBPRGKRZSA-N 1 0 211.349 2.249 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(COC)o1)C(C)C ZINC001262375998 992869722 /nfs/dbraw/zinc/86/97/22/992869722.db2.gz BKKKKJQEYOIMEG-UHFFFAOYSA-N 1 0 221.300 2.270 20 30 BEEDRO C#CCN(C)C(=O)[C@@H]([NH3+])CCCCCCCC ZINC001574604346 992882064 /nfs/dbraw/zinc/88/20/64/992882064.db2.gz MWVLGUZAMMPBJW-ZDUSSCGKSA-N 1 0 238.375 2.156 20 30 BEEDRO C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)c1ccccn1 ZINC001262558597 992913616 /nfs/dbraw/zinc/91/36/16/992913616.db2.gz KFMBQBPYQNPGNF-CHWSQXEVSA-N 1 0 242.326 2.218 20 30 BEEDRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC001262568470 992923112 /nfs/dbraw/zinc/92/31/12/992923112.db2.gz WRNHKPUFEZEIDW-NEPJUHHUSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H](C[NH3+])CCCC ZINC001574848960 992924296 /nfs/dbraw/zinc/92/42/96/992924296.db2.gz HAKGUUBEKQMQRB-LBPRGKRZSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(C)c1cccc(NC(=O)CC[NH2+]C)c1 ZINC001574848755 992925392 /nfs/dbraw/zinc/92/53/92/992925392.db2.gz FLJRPDDYMUEGAC-UHFFFAOYSA-N 1 0 218.300 2.268 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001574872486 992933048 /nfs/dbraw/zinc/93/30/48/992933048.db2.gz MZXODUBCZNKNEA-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC1(CC(=O)N2CC[NH2+][C@@H]3C[C@@H]32)CCCCC1 ZINC001574880916 992935865 /nfs/dbraw/zinc/93/58/65/992935865.db2.gz UMEZMQDGFQROCE-OLZOCXBDSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CCC(C)C ZINC001574881641 992936232 /nfs/dbraw/zinc/93/62/32/992936232.db2.gz MNNXCRLWQBTFCT-CHWSQXEVSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C1(C)CNC1 ZINC001574907528 992942787 /nfs/dbraw/zinc/94/27/87/992942787.db2.gz PQSBTLMMCADOAN-LBPRGKRZSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CC[C@@]1(C(=O)NC[C@H]2CC=CCC2)CCC[NH2+]1 ZINC001574892884 992937399 /nfs/dbraw/zinc/93/73/99/992937399.db2.gz LAQPDPUUAUPUCY-ZFWWWQNUSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCCC(=O)N[C@@]1(C[NH3+])CCCC[C@H]1C ZINC001574901955 992940088 /nfs/dbraw/zinc/94/00/88/992940088.db2.gz XXEDYCUEZQCXNK-TZMCWYRMSA-N 1 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YHTYCRAIVONJCF-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1csc(C#N)c1 ZINC001576117728 993187519 /nfs/dbraw/zinc/18/75/19/993187519.db2.gz UGPDOWOMTIFCCW-GWCFXTLKSA-N 1 0 249.383 2.321 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@](C)([NH3+])CCC ZINC001263256129 993191224 /nfs/dbraw/zinc/19/12/24/993191224.db2.gz QAAKUDATYWDMPY-ZDUSSCGKSA-N 1 0 226.364 2.319 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000380180529 993320454 /nfs/dbraw/zinc/32/04/54/993320454.db2.gz LVYSOIWQVHBXQM-GRYCIOLGSA-N 1 0 229.389 2.307 20 30 BEEDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccc(Cl)cc1C#N ZINC001576611790 993365838 /nfs/dbraw/zinc/36/58/38/993365838.db2.gz NDEQXEXWWCYODT-TVQRCGJNSA-N 1 0 249.745 2.133 20 30 BEEDRO C=C(C)CCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC001263538641 993370648 /nfs/dbraw/zinc/37/06/48/993370648.db2.gz OBANDNPSNCBYDB-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cncc(F)c1 ZINC000381293097 993382041 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C=C[C@@H](C)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000122965986 398145612 /nfs/dbraw/zinc/14/56/12/398145612.db2.gz WSQAZBMDFMIRMU-RKDXNWHRSA-N 1 0 205.305 2.319 20 30 BEEDRO C#CCC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272551601 398147003 /nfs/dbraw/zinc/14/70/03/398147003.db2.gz KRCURPPPASJJLR-AWEZNQCLSA-N 1 0 229.323 2.411 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1CCO[C@](C)(COC)C1 ZINC000626175875 346813413 /nfs/dbraw/zinc/81/34/13/346813413.db2.gz AIUGQJCMNQUCFM-KGLIPLIRSA-N 1 0 241.375 2.469 20 30 BEEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1cnn(C)c1 ZINC000273419536 398150672 /nfs/dbraw/zinc/15/06/72/398150672.db2.gz VENSHQYIQPYIDZ-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)n(C)n1 ZINC000284140648 178019274 /nfs/dbraw/zinc/01/92/74/178019274.db2.gz YSJNLZYZXHZRJP-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCCC[C@H]2O)ccc1C#N ZINC000336367666 178033352 /nfs/dbraw/zinc/03/33/52/178033352.db2.gz CBAXLIUIPJEPAI-HUUCEWRRSA-N 1 0 244.338 2.260 20 30 BEEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000335181606 343980671 /nfs/dbraw/zinc/98/06/71/343980671.db2.gz POPTXVLHFFKMJX-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC2(C#N)CCC2)C1 ZINC000450848509 398178443 /nfs/dbraw/zinc/17/84/43/398178443.db2.gz UPQKESPSSPWVMZ-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000649905378 398179761 /nfs/dbraw/zinc/17/97/61/398179761.db2.gz ZAGIOPAQMSXHFS-GHMZBOCLSA-N 1 0 231.286 2.045 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)nn1 ZINC000424291690 398180231 /nfs/dbraw/zinc/18/02/31/398180231.db2.gz FCWSCLNQPFBTMD-OUCADQQQSA-N 1 0 248.374 2.378 20 30 BEEDRO COC1(C[NH2+]CCCC#N)CCCCC1 ZINC000308964679 136217280 /nfs/dbraw/zinc/21/72/80/136217280.db2.gz UNHABKMRHYAHJP-UHFFFAOYSA-N 1 0 210.321 2.229 20 30 BEEDRO C=CCCCC[NH+]1CCC(OCCCO)CC1 ZINC000649349227 398162280 /nfs/dbraw/zinc/16/22/80/398162280.db2.gz RTZBUZCWJZRSCP-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C=C(CN[C@@H]1C[NH2+]CC[C@H]1C)c1ccccc1 ZINC000423021747 398162491 /nfs/dbraw/zinc/16/24/91/398162491.db2.gz CSTJHYGHNFMPNL-IUODEOHRSA-N 1 0 230.355 2.287 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](CCC)C1 ZINC000649350066 398162967 /nfs/dbraw/zinc/16/29/67/398162967.db2.gz ZYYAGAVGXZPSNP-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](CCC)C1 ZINC000649350063 398163269 /nfs/dbraw/zinc/16/32/69/398163269.db2.gz ZYYAGAVGXZPSNP-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1nnc(C)s1 ZINC000274798765 398164208 /nfs/dbraw/zinc/16/42/08/398164208.db2.gz DVOAJTBOYAYFHO-QMMMGPOBSA-N 1 0 211.334 2.463 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)C1CCC(F)(F)CC1 ZINC000336737127 136218529 /nfs/dbraw/zinc/21/85/29/136218529.db2.gz JDGHGVLEMSTMMG-KOLCDFICSA-N 1 0 233.302 2.337 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000649968962 398199518 /nfs/dbraw/zinc/19/95/18/398199518.db2.gz VHANSZRJRBBKIQ-SRVKXCTJSA-N 1 0 209.333 2.191 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(c2ccccn2)CC1 ZINC000649395803 398197008 /nfs/dbraw/zinc/19/70/08/398197008.db2.gz RXOARGLPZLSKJY-OAHLLOKOSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000336236116 398184569 /nfs/dbraw/zinc/18/45/69/398184569.db2.gz QNSRGPUTQRLWCF-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO CCC1C[NH+](Cc2ccc(OC)c(C#N)c2)C1 ZINC000453608765 398203754 /nfs/dbraw/zinc/20/37/54/398203754.db2.gz UQGGHAWOBYMCAM-UHFFFAOYSA-N 1 0 230.311 2.409 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000336750134 136219704 /nfs/dbraw/zinc/21/97/04/136219704.db2.gz FPYSPBFEGZLQTR-NWDGAFQWSA-N 1 0 229.389 2.310 20 30 BEEDRO Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000363934547 136219796 /nfs/dbraw/zinc/21/97/96/136219796.db2.gz YICBKMGCVCWFQM-OLZOCXBDSA-N 1 0 246.358 2.340 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)[C@H]1OC ZINC000309936470 136220056 /nfs/dbraw/zinc/22/00/56/136220056.db2.gz ADZVSEXJCXZILP-RNJOBUHISA-N 1 0 227.348 2.123 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)c1ccn(C)n1 ZINC000414174206 398218790 /nfs/dbraw/zinc/21/87/90/398218790.db2.gz XWGMHUPREGJIJL-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)cc(C#N)n1 ZINC000342043342 178164581 /nfs/dbraw/zinc/16/45/81/178164581.db2.gz KMYWJCOHUOQMMG-AWEZNQCLSA-N 1 0 244.342 2.014 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000187687876 259301054 /nfs/dbraw/zinc/30/10/54/259301054.db2.gz USBRRDUZIUIXNJ-ZDUSSCGKSA-N 1 0 246.310 2.130 20 30 BEEDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc(C#N)n1 ZINC000308279724 178182835 /nfs/dbraw/zinc/18/28/35/178182835.db2.gz WZRQKOURWTZQFC-VXGBXAGGSA-N 1 0 244.342 2.156 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)o1)[C@H]1CC1(C)C ZINC000335217365 343987489 /nfs/dbraw/zinc/98/74/89/343987489.db2.gz GTAUCSJUUSAYAR-NSHDSACASA-N 1 0 204.273 2.382 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCC2(O)CCC2)C1 ZINC000421381801 192325490 /nfs/dbraw/zinc/32/54/90/192325490.db2.gz KKWJAYREKZNWLQ-QWHCGFSZSA-N 1 0 236.359 2.354 20 30 BEEDRO N#Cc1cc(Cl)ccc1O[C@@H]1CCC[NH2+]C1 ZINC000052859390 1171995648 /nfs/dbraw/zinc/99/56/48/1171995648.db2.gz FQQUDHVZDHZXMO-LLVKDONJSA-N 1 0 236.702 2.342 20 30 BEEDRO C[C@@H]1C[C@H](CO)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000421361687 192332156 /nfs/dbraw/zinc/33/21/56/192332156.db2.gz LKXQUTAFDHUDHP-OLZOCXBDSA-N 1 0 238.375 2.267 20 30 BEEDRO C[C@@H](CF)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421357850 192332909 /nfs/dbraw/zinc/33/29/09/192332909.db2.gz REUZZKPWRORBJB-QMMMGPOBSA-N 1 0 210.227 2.145 20 30 BEEDRO C=CCCCCCN(C)C(=O)NCC(C)(C)[NH3+] ZINC000418409443 192034234 /nfs/dbraw/zinc/03/42/34/192034234.db2.gz AGAVPZMMUJDDOU-UHFFFAOYSA-N 1 0 241.379 2.112 20 30 BEEDRO C=C(C)CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000164525703 538933582 /nfs/dbraw/zinc/93/35/82/538933582.db2.gz IMZLVDSLKIOQSJ-AWEZNQCLSA-N 1 0 219.328 2.450 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]Cc1ccccc1C#N ZINC000223242770 398230680 /nfs/dbraw/zinc/23/06/80/398230680.db2.gz IIVWERDXNHYTKB-UHFFFAOYSA-N 1 0 232.327 2.197 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+]CC1(CC#N)CC1 ZINC000430759693 398231074 /nfs/dbraw/zinc/23/10/74/398231074.db2.gz HGXVISIGZSGEIB-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CCn1cc([C@H](C)[NH2+]CC2(CC#N)CC2)cn1 ZINC000430761071 398231107 /nfs/dbraw/zinc/23/11/07/398231107.db2.gz KNCLKGNCCHXCEM-NSHDSACASA-N 1 0 232.331 2.247 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cncc(OC)n1 ZINC000625557447 343990950 /nfs/dbraw/zinc/99/09/50/343990950.db2.gz IBJFKBIJFXXILL-BETUJISGSA-N 1 0 245.326 2.168 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]1CCC[NH2+]C1 ZINC000160924765 136226508 /nfs/dbraw/zinc/22/65/08/136226508.db2.gz WNXNFSGHPMVMMO-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)c1c[nH+]ccc1N(C)C ZINC000281636871 398237703 /nfs/dbraw/zinc/23/77/03/398237703.db2.gz HBEOZYQUHVLDEM-LLVKDONJSA-N 1 0 247.342 2.232 20 30 BEEDRO C=C(C)CC[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000281621302 398237805 /nfs/dbraw/zinc/23/78/05/398237805.db2.gz HLINNBMTMFPPNZ-OAHLLOKOSA-N 1 0 247.338 2.213 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@H]1CCCO1 ZINC000602441652 349527646 /nfs/dbraw/zinc/52/76/46/349527646.db2.gz PSHQJUMZEFCZRC-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO Cn1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1C#N ZINC000335750431 398238752 /nfs/dbraw/zinc/23/87/52/398238752.db2.gz ALHLBTZZMOOLSO-TZMCWYRMSA-N 1 0 229.327 2.271 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)C[C@@H](C)c1ccccc1 ZINC000066854465 361818088 /nfs/dbraw/zinc/81/80/88/361818088.db2.gz VNWVYBREMHXRCW-CYBMUJFWSA-N 1 0 246.354 2.024 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576527014 365619043 /nfs/dbraw/zinc/61/90/43/365619043.db2.gz NAJWLLZEFKCYQV-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C#CC[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000181824810 136228083 /nfs/dbraw/zinc/22/80/83/136228083.db2.gz ZJARGMSULRTWBW-AWEZNQCLSA-N 1 0 245.322 2.292 20 30 BEEDRO C#CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290222990 398253556 /nfs/dbraw/zinc/25/35/56/398253556.db2.gz WRSROBRJDOGMEM-OAHLLOKOSA-N 1 0 241.334 2.303 20 30 BEEDRO COc1ccccc1OC[C@H](C)C[NH2+]CCC#N ZINC000576696616 365659623 /nfs/dbraw/zinc/65/96/23/365659623.db2.gz MBYJYDHOUXDSPY-GFCCVEGCSA-N 1 0 248.326 2.213 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cncn1C ZINC000289846660 538946076 /nfs/dbraw/zinc/94/60/76/538946076.db2.gz QFTBVWAKUMBXTN-GHMZBOCLSA-N 1 0 207.321 2.110 20 30 BEEDRO CC[N@H+](CCC[C@H]1CCO1)C[C@H](C)C#N ZINC000602446971 349547400 /nfs/dbraw/zinc/54/74/00/349547400.db2.gz JHECDGSTIASEGI-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)C[C@@H](C)O1 ZINC000602451665 349552658 /nfs/dbraw/zinc/55/26/58/349552658.db2.gz AZMIRHYAFHNUHH-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000602456229 349553630 /nfs/dbraw/zinc/55/36/30/349553630.db2.gz VSJCPVYYHUKHRJ-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000602458923 349554341 /nfs/dbraw/zinc/55/43/41/349554341.db2.gz QYVNNSDWRPELSZ-KBPBESRZSA-N 1 0 246.358 2.460 20 30 BEEDRO Cc1ccc(C#N)c(NCC2(C)CC[NH2+]CC2)n1 ZINC000129463857 178362853 /nfs/dbraw/zinc/36/28/53/178362853.db2.gz OAHWDQXNFWVTQU-UHFFFAOYSA-N 1 0 244.342 2.063 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCS[C@H](C)C1 ZINC000602461035 349555821 /nfs/dbraw/zinc/55/58/21/349555821.db2.gz WOPSQUZBJGSYTH-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO CC(C)[N@H+](C[C@@H](C)O)C[C@@H](C)CCC#N ZINC000602460946 349555883 /nfs/dbraw/zinc/55/58/83/349555883.db2.gz ICKYMISYVXMFRQ-NWDGAFQWSA-N 1 0 212.337 2.017 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000602462273 349556623 /nfs/dbraw/zinc/55/66/23/349556623.db2.gz LLTLQZYZMAKZND-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO Cc1ccc(C#N)c(NCC[NH2+]C(C)(C)C)n1 ZINC000342126689 178364304 /nfs/dbraw/zinc/36/43/04/178364304.db2.gz XHYWFXNSPZQMTC-UHFFFAOYSA-N 1 0 232.331 2.062 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccc(C#N)n1 ZINC000602472098 349543276 /nfs/dbraw/zinc/54/32/76/349543276.db2.gz GNZVOISIJGJZHP-UHFFFAOYSA-N 1 0 215.300 2.351 20 30 BEEDRO COC(=O)CC[N@H+](C[C@H](C)CCC#N)C(C)C ZINC000602472846 349544058 /nfs/dbraw/zinc/54/40/58/349544058.db2.gz LQTRKUMSGWEZOA-GFCCVEGCSA-N 1 0 240.347 2.200 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)OC[C@@H]1C ZINC000602443562 349545357 /nfs/dbraw/zinc/54/53/57/349545357.db2.gz FPKNUXRQVUGSMJ-WOPDTQHZSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602475956 349563468 /nfs/dbraw/zinc/56/34/68/349563468.db2.gz UWKZCFQOHJDORC-RWMBFGLXSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000602477769 349564214 /nfs/dbraw/zinc/56/42/14/349564214.db2.gz UCSDAGLIVLNZNT-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000162100317 349564774 /nfs/dbraw/zinc/56/47/74/349564774.db2.gz UYEVAKMTAARCHO-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCC[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626176472 346821267 /nfs/dbraw/zinc/82/12/67/346821267.db2.gz OPXIISMZOAPYQN-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CCOCC1CC1 ZINC000602482787 349566432 /nfs/dbraw/zinc/56/64/32/349566432.db2.gz QLZGEBSMLKBZBD-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000602485370 349567433 /nfs/dbraw/zinc/56/74/33/349567433.db2.gz ODQVFTOXZKPJJB-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(OC)s1 ZINC000386931638 398266713 /nfs/dbraw/zinc/26/67/13/398266713.db2.gz UABHKVSUUGUKOU-UHFFFAOYSA-N 1 0 212.318 2.208 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H](CO)C(C)(C)C ZINC000602486026 349568368 /nfs/dbraw/zinc/56/83/68/349568368.db2.gz UCZVFJBSMWVLGS-NEPJUHHUSA-N 1 0 226.364 2.265 20 30 BEEDRO C=C(C)C[N@H+](CC)CCOCC(F)F ZINC000188670463 259314287 /nfs/dbraw/zinc/31/42/87/259314287.db2.gz BVEPXCCKDZIQFB-UHFFFAOYSA-N 1 0 207.264 2.166 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602524877 349576769 /nfs/dbraw/zinc/57/67/69/349576769.db2.gz GTGQZNYKLWCOMY-KBPBESRZSA-N 1 0 237.391 2.248 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+]C1CCC(C#N)CC1 ZINC000602524328 349576926 /nfs/dbraw/zinc/57/69/26/349576926.db2.gz BROVJUVEROBSIQ-UHFFFAOYSA-N 1 0 246.358 2.209 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCOC(C)(C)C ZINC000602526331 349577240 /nfs/dbraw/zinc/57/72/40/349577240.db2.gz VIJAZNWXVPVMCX-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CCC(O)(CC)C[NH2+]C1CCC(C#N)CC1 ZINC000602526419 349577416 /nfs/dbraw/zinc/57/74/16/349577416.db2.gz WNGPZHOLQUVOAQ-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO CCC(O)(CC)C[NH2+]C[C@H](C)CCC#N ZINC000602525854 349577495 /nfs/dbraw/zinc/57/74/95/349577495.db2.gz STARUIBLSOUWMN-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO COC[C@@H]([NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602547739 349590467 /nfs/dbraw/zinc/59/04/67/349590467.db2.gz NNNWUTNHTQMXLQ-VXGBXAGGSA-N 1 0 212.337 2.187 20 30 BEEDRO CO[C@@H](C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602529549 349579260 /nfs/dbraw/zinc/57/92/60/349579260.db2.gz PZRMOWYPBZNTCM-UNXYVOJBSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](C)[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602506418 349582906 /nfs/dbraw/zinc/58/29/06/349582906.db2.gz UYBNOSSOIHMNDC-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccnc1N(C)C ZINC000602510135 349584316 /nfs/dbraw/zinc/58/43/16/349584316.db2.gz KHZIIOVDOLEPKY-GFCCVEGCSA-N 1 0 246.358 2.177 20 30 BEEDRO CCN(CC)[C@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602511858 349584963 /nfs/dbraw/zinc/58/49/63/349584963.db2.gz VABARXSJXBUREA-QWHCGFSZSA-N 1 0 225.380 2.246 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)CC1(O)CCCC1 ZINC000162210525 349586909 /nfs/dbraw/zinc/58/69/09/349586909.db2.gz AGHPKGJWNKAGAR-UHFFFAOYSA-N 1 0 243.350 2.275 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCCC[C@H]1C ZINC000602514458 349586928 /nfs/dbraw/zinc/58/69/28/349586928.db2.gz JOPKOXZJFXAWQT-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]C[C@@H](C)CCC#N ZINC000602546903 349590343 /nfs/dbraw/zinc/59/03/43/349590343.db2.gz HAXJONASZKXUCS-RYUDHWBXSA-N 1 0 212.337 2.067 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000346194944 136233671 /nfs/dbraw/zinc/23/36/71/136233671.db2.gz PNTBTZXLSSIESW-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cnn(C)c1 ZINC000602558766 349598557 /nfs/dbraw/zinc/59/85/57/349598557.db2.gz NXGJNWBCSPMFPB-ZBOXLXRLSA-N 1 0 232.331 2.153 20 30 BEEDRO CO[C@H](C[NH2+]CCCCC#N)C1CCCC1 ZINC000602539552 349604678 /nfs/dbraw/zinc/60/46/78/349604678.db2.gz ISURFEGQZONHCD-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO CO[C@@H](C[NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602560673 349599727 /nfs/dbraw/zinc/59/97/27/349599727.db2.gz JXSUUDWRLJUZTR-BPCQOVAHSA-N 1 0 224.348 2.329 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000602559571 349599976 /nfs/dbraw/zinc/59/99/76/349599976.db2.gz PMUDGRMOIZAGMK-YIOUJQMASA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCCC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000580282480 346845977 /nfs/dbraw/zinc/84/59/77/346845977.db2.gz WBKFUYYCDHLFCX-UHFFFAOYSA-N 1 0 248.374 2.346 20 30 BEEDRO CC(C)n1ccc(C[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602551375 349592814 /nfs/dbraw/zinc/59/28/14/349592814.db2.gz JBDYTFIHXFTLAP-LBPRGKRZSA-N 1 0 234.347 2.493 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602551631 349594065 /nfs/dbraw/zinc/59/40/65/349594065.db2.gz QTHLXSZZWNZOQX-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@]1(C[NH2+]C2CCC(C#N)CC2)CCOC1 ZINC000602553114 349594392 /nfs/dbraw/zinc/59/43/92/349594392.db2.gz VHUNMTYVXKCLOW-BPCQOVAHSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602554009 349595376 /nfs/dbraw/zinc/59/53/76/349595376.db2.gz YITXSQQKIVNGEN-VIFPVBQESA-N 1 0 236.315 2.164 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602554007 349595426 /nfs/dbraw/zinc/59/54/26/349595426.db2.gz YITXSQQKIVNGEN-SECBINFHSA-N 1 0 236.315 2.164 20 30 BEEDRO C[C@@H]1CCN(CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602594315 349611983 /nfs/dbraw/zinc/61/19/83/349611983.db2.gz RYNYFOLADWMOEY-IYXRBSQSSA-N 1 0 235.375 2.000 20 30 BEEDRO Cc1cc(C[NH2+]CCCCC#N)ccn1 ZINC000391163845 342680468 /nfs/dbraw/zinc/68/04/68/342680468.db2.gz BWUUDMVCDYHHLZ-UHFFFAOYSA-N 1 0 203.289 2.174 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000600135034 342687842 /nfs/dbraw/zinc/68/78/42/342687842.db2.gz BMKHYMQFZRGNCM-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000602578223 349606923 /nfs/dbraw/zinc/60/69/23/349606923.db2.gz LTESXQZPEDUMMP-FVCCEPFGSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000602582296 349610310 /nfs/dbraw/zinc/61/03/10/349610310.db2.gz VNIDWVOLVUZSFP-ZJUUUORDSA-N 1 0 206.293 2.000 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000602585028 349611433 /nfs/dbraw/zinc/61/14/33/349611433.db2.gz BKFDZLKKTVFQQG-GLQYFDAESA-N 1 0 244.338 2.174 20 30 BEEDRO COC(=O)CC1([NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602584435 349611586 /nfs/dbraw/zinc/61/15/86/349611586.db2.gz BKUSUVZMKQQMOT-NSHDSACASA-N 1 0 238.331 2.002 20 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C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(C)(C)C ZINC000309577134 259316869 /nfs/dbraw/zinc/31/68/69/259316869.db2.gz PFHYHIOKAYBCLF-AVGNSLFASA-N 1 0 223.360 2.439 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCSC2)CC1 ZINC000602563821 349616350 /nfs/dbraw/zinc/61/63/50/349616350.db2.gz OSSQMWRBTHIZLS-VQXHTEKXSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(C)CCOCC1 ZINC000602563607 349616448 /nfs/dbraw/zinc/61/64/48/349616448.db2.gz MXTAVZZWIGZCBT-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000629987143 361874450 /nfs/dbraw/zinc/87/44/50/361874450.db2.gz IIUZMQUPZWEFAF-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000183801307 538967568 /nfs/dbraw/zinc/96/75/68/538967568.db2.gz SFAYMNJVUIKIEK-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CCC#N)C1(C)C ZINC000602564992 349616916 /nfs/dbraw/zinc/61/69/16/349616916.db2.gz XUAYFSXLSIEJFC-SDDRHHMPSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000602571833 349621534 /nfs/dbraw/zinc/62/15/34/349621534.db2.gz OYOVQSDTPWKLHS-PWSUYJOCSA-N 1 0 232.331 2.317 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000602567754 349619217 /nfs/dbraw/zinc/61/92/17/349619217.db2.gz INCGYQQYOSDZLZ-JHJVBQTASA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000602568735 349620244 /nfs/dbraw/zinc/62/02/44/349620244.db2.gz LRRLCHCGRYICRC-JHJVBQTASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCCC[C@H]1O ZINC000602570530 349620783 /nfs/dbraw/zinc/62/07/83/349620783.db2.gz BUGHBBWXWVVSGO-MCIONIFRSA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000602569799 349621046 /nfs/dbraw/zinc/62/10/46/349621046.db2.gz SKTDGYZRPTYSAV-LCKMOKORSA-N 1 0 236.359 2.209 20 30 BEEDRO COc1ccc(CN(CCC#N)CC2CC2)cn1 ZINC000085821752 398290368 /nfs/dbraw/zinc/29/03/68/398290368.db2.gz BNHUGNKPPCQAKU-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCOC1 ZINC000355719411 398287875 /nfs/dbraw/zinc/28/78/75/398287875.db2.gz BOFCZCPOCYPCRC-WFASDCNBSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000139383717 342820805 /nfs/dbraw/zinc/82/08/05/342820805.db2.gz WZONKAGUJIKCGZ-UHFFFAOYSA-N 1 0 216.328 2.385 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1F)[C@H]1CCOC1 ZINC000336732973 342820923 /nfs/dbraw/zinc/82/09/23/342820923.db2.gz SRJBUHNZPJZZAE-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000335464313 398288886 /nfs/dbraw/zinc/28/88/86/398288886.db2.gz PFIVWLZUSFKJOS-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cnc(C)s1 ZINC000186692438 538974419 /nfs/dbraw/zinc/97/44/19/538974419.db2.gz QMOKDEGAKLOIAH-PSASIEDQSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000380167754 538986278 /nfs/dbraw/zinc/98/62/78/538986278.db2.gz CSZMBQDGNZDUGI-RVMXOQNASA-N 1 0 211.349 2.338 20 30 BEEDRO Cc1nc2ccccc2nc1C[NH2+]CCCC#N ZINC000602603549 349626226 /nfs/dbraw/zinc/62/62/26/349626226.db2.gz CAYQFZUVIXTTIC-UHFFFAOYSA-N 1 0 240.310 2.332 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOCC2(CC2)C1 ZINC000602603410 349626317 /nfs/dbraw/zinc/62/63/17/349626317.db2.gz ZYQPLMNRZCIDJU-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO CCC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233035255 398292265 /nfs/dbraw/zinc/29/22/65/398292265.db2.gz UKXJGULYIAARLB-UHFFFAOYSA-N 1 0 218.300 2.409 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1nc(C)sc1C ZINC000381468427 539001209 /nfs/dbraw/zinc/00/12/09/539001209.db2.gz NGWFOIPJTLJZOM-LDYMZIIASA-N 1 0 240.372 2.348 20 30 BEEDRO COC1(C[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602605370 349627304 /nfs/dbraw/zinc/62/73/04/349627304.db2.gz IJBCULLOJHTZLR-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000393966706 344006354 /nfs/dbraw/zinc/00/63/54/344006354.db2.gz MKJWCXRUBIMUKW-IJLUTSLNSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000230660231 259323217 /nfs/dbraw/zinc/32/32/17/259323217.db2.gz GWFMOGBYFIIFFZ-LLVKDONJSA-N 1 0 242.363 2.455 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000393966711 344006141 /nfs/dbraw/zinc/00/61/41/344006141.db2.gz MKJWCXRUBIMUKW-UTUOFQBUSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)Cc1cccs1 ZINC000389865320 539018026 /nfs/dbraw/zinc/01/80/26/539018026.db2.gz GJDGEWBEJDUIIH-LLVKDONJSA-N 1 0 225.357 2.471 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000166473852 398299060 /nfs/dbraw/zinc/29/90/60/398299060.db2.gz OTTOMVOXHQJXDU-VXGBXAGGSA-N 1 0 217.312 2.325 20 30 BEEDRO Cn1ccnc1[C@H](N[C@H]1CCC[C@H]1C#N)C1CC1 ZINC000602607510 349630003 /nfs/dbraw/zinc/63/00/03/349630003.db2.gz LVMADYOZFTZIOU-RWMBFGLXSA-N 1 0 244.342 2.153 20 30 BEEDRO C[N@H+](CCC(C)(C)O)Cc1cccc(C#N)c1 ZINC000081676107 398311284 /nfs/dbraw/zinc/31/12/84/398311284.db2.gz ZJYKUKVFULRHFH-UHFFFAOYSA-N 1 0 232.327 2.151 20 30 BEEDRO CC(C)[C@@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000134549368 342863842 /nfs/dbraw/zinc/86/38/42/342863842.db2.gz FIKABQPOZJPCSA-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO CO[C@@](C)(C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000602608461 349631834 /nfs/dbraw/zinc/63/18/34/349631834.db2.gz VAODZDOEGBVALB-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1[C@H](NCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000309755626 342866403 /nfs/dbraw/zinc/86/64/03/342866403.db2.gz WXLIUWYHIDLLPF-UKRRQHHQSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000330477384 398315956 /nfs/dbraw/zinc/31/59/56/398315956.db2.gz MEQRNCMLBPCOFB-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000020206204 398316141 /nfs/dbraw/zinc/31/61/41/398316141.db2.gz IQCSIGSWMZRRHV-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000602608839 349632846 /nfs/dbraw/zinc/63/28/46/349632846.db2.gz XHBPSMROQHNRQO-DGCLKSJQSA-N 1 0 229.327 2.078 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000602610289 349633849 /nfs/dbraw/zinc/63/38/49/349633849.db2.gz SJACDZKNDRHRED-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CO)[N@H+](CCCCC#N)C1CCCC1 ZINC000351514414 136246540 /nfs/dbraw/zinc/24/65/40/136246540.db2.gz BPHYZEUYLYMAFL-GFCCVEGCSA-N 1 0 224.348 2.306 20 30 BEEDRO N#CCCN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904557 342912987 /nfs/dbraw/zinc/91/29/87/342912987.db2.gz YJUMOQCZZWWLOY-OAHLLOKOSA-N 1 0 243.354 2.154 20 30 BEEDRO C[C@@H](CO)[N@H+](CCCCC#N)C1CCCC1 ZINC000351514415 136246752 /nfs/dbraw/zinc/24/67/52/136246752.db2.gz BPHYZEUYLYMAFL-LBPRGKRZSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CCO)c1ccco1 ZINC000602612510 349636771 /nfs/dbraw/zinc/63/67/71/349636771.db2.gz UBQZHRMJHMUOQL-RYUDHWBXSA-N 1 0 236.315 2.233 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602612224 349635909 /nfs/dbraw/zinc/63/59/09/349635909.db2.gz OMUJOSSZWPRQEX-STQMWFEESA-N 1 0 249.358 2.367 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](CC)c1ccccc1 ZINC000104156514 398323869 /nfs/dbraw/zinc/32/38/69/398323869.db2.gz BOAGVMRCMQJJAC-LBPRGKRZSA-N 1 0 233.359 2.495 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000602623062 349641419 /nfs/dbraw/zinc/64/14/19/349641419.db2.gz CZVCADXADXCYNA-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO Cc1nnc([C@@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602613742 349637356 /nfs/dbraw/zinc/63/73/56/349637356.db2.gz PQTRSDZYZGXWCW-DTWKUNHWSA-N 1 0 238.360 2.437 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000602615069 349638388 /nfs/dbraw/zinc/63/83/88/349638388.db2.gz QBWJZKPMDZMZEU-CYBMUJFWSA-N 1 0 243.354 2.468 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)C1CCC(OC)CC1 ZINC000351599680 136247576 /nfs/dbraw/zinc/24/75/76/136247576.db2.gz XCBZDQLHDQELFM-ROKHWSDSSA-N 1 0 241.375 2.203 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000602634240 349649951 /nfs/dbraw/zinc/64/99/51/349649951.db2.gz LKHYNGLMUQWRFW-NSHDSACASA-N 1 0 245.326 2.085 20 30 BEEDRO CCC1([NH2+]C[C@@H](C)CCC#N)CCOCC1 ZINC000602595748 349643722 /nfs/dbraw/zinc/64/37/22/349643722.db2.gz XTWWARGMFPBVMS-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@@H]1CCCCO1 ZINC000602596163 349643898 /nfs/dbraw/zinc/64/38/98/349643898.db2.gz ILQHBWLJWDEPTO-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO COCC1(C[NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000602651471 349659313 /nfs/dbraw/zinc/65/93/13/349659313.db2.gz IETTWSTWKAWSOI-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO CO[C@@]1(C)CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602649891 349659339 /nfs/dbraw/zinc/65/93/39/349659339.db2.gz QPFXJVGLUFMQFJ-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CSC1(C)C ZINC000602650148 349659482 /nfs/dbraw/zinc/65/94/82/349659482.db2.gz BMITZUCJVDNWKP-VHSXEESVSA-N 1 0 212.362 2.410 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164533951 398328857 /nfs/dbraw/zinc/32/88/57/398328857.db2.gz IXXAJAAVGIECJH-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CCCCCO ZINC000602639315 349652943 /nfs/dbraw/zinc/65/29/43/349652943.db2.gz JJHZFSJJABMYSD-LBPRGKRZSA-N 1 0 212.337 2.021 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC1(CC#N)CC1 ZINC000602644185 349656066 /nfs/dbraw/zinc/65/60/66/349656066.db2.gz WPBZNERUQVNUPI-NSHDSACASA-N 1 0 205.305 2.210 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(C#N)o1 ZINC000174410569 346881833 /nfs/dbraw/zinc/88/18/33/346881833.db2.gz CQEVJJJCCMIFBK-NSHDSACASA-N 1 0 236.315 2.446 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(CN(C)C)CCC1 ZINC000602647106 349657551 /nfs/dbraw/zinc/65/75/51/349657551.db2.gz FXCKRCOFELECII-GFCCVEGCSA-N 1 0 223.364 2.000 20 30 BEEDRO CC[C@@H](C)[N@@H+](CC(=O)OC)C[C@H](C)CCC#N ZINC000602649563 349658489 /nfs/dbraw/zinc/65/84/89/349658489.db2.gz WKUREACGRGMPRK-VXGBXAGGSA-N 1 0 240.347 2.200 20 30 BEEDRO CCC[C@@H](C[NH2+]C[C@H](C)CCC#N)OC ZINC000602675189 349668282 /nfs/dbraw/zinc/66/82/82/349668282.db2.gz SPYVTAVYAFPXQS-NEPJUHHUSA-N 1 0 212.337 2.331 20 30 BEEDRO CC[C@](C)(C[N@H+](C)CC(C)(C)C#N)OC ZINC000602675073 349668387 /nfs/dbraw/zinc/66/83/87/349668387.db2.gz JSVSXSAPGIOZKQ-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO CO[C@](C)(C[NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602675461 349668414 /nfs/dbraw/zinc/66/84/14/349668414.db2.gz JLAWOOYCZSDSFC-DGCLKSJQSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]C1CCC(C#N)CC1 ZINC000602675916 349669093 /nfs/dbraw/zinc/66/90/93/349669093.db2.gz WXLIHADKVBMTET-HIFPTAJRSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000351729699 136249848 /nfs/dbraw/zinc/24/98/48/136249848.db2.gz HGMSYHYMBRJXLF-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602675798 349669422 /nfs/dbraw/zinc/66/94/22/349669422.db2.gz OEHMPTKKBAYWNE-UHFFFAOYSA-N 1 0 201.273 2.009 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC[C@H](C)F ZINC000602676594 349669943 /nfs/dbraw/zinc/66/99/43/349669943.db2.gz PPKDDNIYFSRBAI-NWDGAFQWSA-N 1 0 242.338 2.423 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]C1CCC(C#N)CC1 ZINC000602678513 349670741 /nfs/dbraw/zinc/67/07/41/349670741.db2.gz DOYWFQKHHFUCQL-VOMCLLRMSA-N 1 0 224.348 2.208 20 30 BEEDRO Cc1noc(C(C)(C)[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602655317 349662115 /nfs/dbraw/zinc/66/21/15/349662115.db2.gz UGOLVXYMTYFAMQ-VIFPVBQESA-N 1 0 236.319 2.143 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](C[NH2+]C[C@@H](C)CCC#N)C1 ZINC000602658437 349663634 /nfs/dbraw/zinc/66/36/34/349663634.db2.gz XNFRCENUGVUELM-UONOGXRCSA-N 1 0 237.391 2.246 20 30 BEEDRO COCC(C)(C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602670756 349665808 /nfs/dbraw/zinc/66/58/08/349665808.db2.gz CWQHYQLCKTUDRC-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO CO[C@@H](C[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602677504 349671043 /nfs/dbraw/zinc/67/10/43/349671043.db2.gz VPTXBIOGMGSOLN-GDKBPFBDSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000602673074 349666533 /nfs/dbraw/zinc/66/65/33/349666533.db2.gz BWYBSMYRTTUVNX-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000602673070 349666871 /nfs/dbraw/zinc/66/68/71/349666871.db2.gz BWYBSMYRTTUVNX-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO COCC(C)(C)C[NH2+]C[C@@H](C)CCC#N ZINC000602673555 349667578 /nfs/dbraw/zinc/66/75/78/349667578.db2.gz VJBMITLEUQJDOW-NSHDSACASA-N 1 0 212.337 2.188 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCOC1(C)C ZINC000602682202 349674457 /nfs/dbraw/zinc/67/44/57/349674457.db2.gz ZPFOEZUEYJIWCD-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@H]([C@H](C)[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602683373 349675365 /nfs/dbraw/zinc/67/53/65/349675365.db2.gz VKOGQPCXJPMYFI-PYULLRNSSA-N 1 0 236.359 2.472 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602688727 349679472 /nfs/dbraw/zinc/67/94/72/349679472.db2.gz YLLLCXSFATVJAI-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)N1CC[C@H]([N@@H+](C)C[C@H](C)CCC#N)C1 ZINC000602685511 349677010 /nfs/dbraw/zinc/67/70/10/349677010.db2.gz IDXRPIPHLKLFKT-KGLIPLIRSA-N 1 0 237.391 2.341 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449755165 398340177 /nfs/dbraw/zinc/34/01/77/398340177.db2.gz MMCINBALXUUFLL-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602686352 349677920 /nfs/dbraw/zinc/67/79/20/349677920.db2.gz PNBBORJIVFMBDJ-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccn(C)n1 ZINC000602687627 349678507 /nfs/dbraw/zinc/67/85/07/349678507.db2.gz OOOANSSMPBJGFK-VOMCLLRMSA-N 1 0 232.331 2.153 20 30 BEEDRO CO[C@@H]([C@@H](C)[NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602679300 349671979 /nfs/dbraw/zinc/67/19/79/349671979.db2.gz CMPMDEZELGIDLB-WZRBSPASSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCCCF ZINC000602678758 349672009 /nfs/dbraw/zinc/67/20/09/349672009.db2.gz YPURFRANBQJYCR-LBPRGKRZSA-N 1 0 242.338 2.425 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)C(F)F ZINC000602679660 349672395 /nfs/dbraw/zinc/67/23/95/349672395.db2.gz RNIJEHQQVQNETH-WFBLGPOFSA-N 1 0 246.301 2.063 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602679409 349672421 /nfs/dbraw/zinc/67/24/21/349672421.db2.gz JXJZTYBNQUEZQA-RYUDHWBXSA-N 1 0 240.310 2.125 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CC2(C1)CCCOC2 ZINC000602689025 349679077 /nfs/dbraw/zinc/67/90/77/349679077.db2.gz PDBVINPCNHIIJN-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO CS[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602681475 349673243 /nfs/dbraw/zinc/67/32/43/349673243.db2.gz VEIMZVBWSUOOBP-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000602667512 349684490 /nfs/dbraw/zinc/68/44/90/349684490.db2.gz QBDBRZHEITUILU-STQMWFEESA-N 1 0 246.358 2.149 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000602665848 349684635 /nfs/dbraw/zinc/68/46/35/349684635.db2.gz DDUQDOXKDQWVSF-AAEUAGOBSA-N 1 0 238.375 2.313 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000602718127 349686517 /nfs/dbraw/zinc/68/65/17/349686517.db2.gz GAUYUCCLRXGUIW-PAZDGXDMSA-N 1 0 204.317 2.457 20 30 BEEDRO COC1([C@H](C)[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602689421 349680412 /nfs/dbraw/zinc/68/04/12/349680412.db2.gz HLPICEZLAOGAEW-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](OCCOCC)C1 ZINC000351754952 136251784 /nfs/dbraw/zinc/25/17/84/136251784.db2.gz GTULMGYZQADUJJ-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C ZINC000602664435 349683864 /nfs/dbraw/zinc/68/38/64/349683864.db2.gz DBVNSBIOKICVFV-MGPQQGTHSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CC(C)(C)CC#N ZINC000602692834 349689692 /nfs/dbraw/zinc/68/96/92/349689692.db2.gz ZZSHBSBCVGCCRN-NSHDSACASA-N 1 0 207.321 2.456 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1csnn1 ZINC000602694081 349690764 /nfs/dbraw/zinc/69/07/64/349690764.db2.gz QHGXFQKHDDGQKK-RKDXNWHRSA-N 1 0 224.333 2.129 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602696248 349692397 /nfs/dbraw/zinc/69/23/97/349692397.db2.gz XBZRURUTWUYQDI-AVGNSLFASA-N 1 0 222.332 2.107 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)CCC#N)CCO1 ZINC000602696050 349692439 /nfs/dbraw/zinc/69/24/39/349692439.db2.gz BVWSQEZHDLAQLR-YNEHKIRRSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]CC1(C#N)CCC1)OC ZINC000602695921 349692631 /nfs/dbraw/zinc/69/26/31/349692631.db2.gz QDWZVBSUHLUDNY-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCCC1(O)CCC1 ZINC000602695598 349692767 /nfs/dbraw/zinc/69/27/67/349692767.db2.gz AZJQBHGTOLZEOT-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000602697696 349693760 /nfs/dbraw/zinc/69/37/60/349693760.db2.gz LGGJQUISHQVHKQ-UONOGXRCSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000602697694 349693766 /nfs/dbraw/zinc/69/37/66/349693766.db2.gz LGGJQUISHQVHKQ-KGLIPLIRSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]C2CCC(C#N)CC2)[C@@H](C)O1 ZINC000602691374 349688643 /nfs/dbraw/zinc/68/86/43/349688643.db2.gz SODJDEWYDNELDK-LRUBOHGLSA-N 1 0 236.359 2.472 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)[C@H](O)C(C)C ZINC000602692166 349689228 /nfs/dbraw/zinc/68/92/28/349689228.db2.gz WAFQFFLNCIQBGB-CLRIEMFWSA-N 1 0 238.375 2.454 20 30 BEEDRO CO[C@@H](C[NH+]1CC(CC#N)C1)C1CCCCC1 ZINC000602707024 349699852 /nfs/dbraw/zinc/69/98/52/349699852.db2.gz IVBNWVJPSKYXJW-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000602707699 349700637 /nfs/dbraw/zinc/70/06/37/349700637.db2.gz PBXCJDNJMLQPRK-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCN(C(C)(C)C)C1 ZINC000602707595 349700683 /nfs/dbraw/zinc/70/06/83/349700683.db2.gz NWCBSRUGABKWLW-STQMWFEESA-N 1 0 237.391 2.389 20 30 BEEDRO Cc1ccc(CC[NH+]2CC(CC#N)C2)cc1 ZINC000602710681 349703453 /nfs/dbraw/zinc/70/34/53/349703453.db2.gz XAAOWZSGDOSHML-UHFFFAOYSA-N 1 0 214.312 2.383 20 30 BEEDRO CCC[N@H+](C[C@H](C)CCC#N)[C@@H]1CCN(C)C1 ZINC000602700678 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ZINC000602821190 349761829 /nfs/dbraw/zinc/76/18/29/349761829.db2.gz WOQBSZUMQGVTPA-LBPRGKRZSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1COC(C)(C)C[N@@H+]1CC1(CC#N)CC1 ZINC000602821435 349762116 /nfs/dbraw/zinc/76/21/16/349762116.db2.gz OHGAJYKOOQDUSV-NSHDSACASA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000248654591 323029768 /nfs/dbraw/zinc/02/97/68/323029768.db2.gz AMNJEZFKNZPIGZ-KBPBESRZSA-N 1 0 241.375 2.469 20 30 BEEDRO CC#CC[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000162598421 349764353 /nfs/dbraw/zinc/76/43/53/349764353.db2.gz BDWGSIBBXPFRIC-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO C[N@@H+]1CCC[C@@]2(CCN(CC3(CC#N)CC3)C2)C1 ZINC000602831913 349767831 /nfs/dbraw/zinc/76/78/31/349767831.db2.gz LORAJZLHNYASBZ-OAHLLOKOSA-N 1 0 247.386 2.098 20 30 BEEDRO CC[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602786477 349750598 /nfs/dbraw/zinc/75/05/98/349750598.db2.gz UFXGWTIWUNXMAW-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)[NH2+]C1CCN(CC2(CC#N)CC2)CC1 ZINC000602787287 349750657 /nfs/dbraw/zinc/75/06/57/349750657.db2.gz KIZWGJHYDVFBRR-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCC1(CN2CCO[C@@H](c3ccco3)C2)CC1 ZINC000602789388 349752329 /nfs/dbraw/zinc/75/23/29/349752329.db2.gz VMWZNAQCYYLUKC-CYBMUJFWSA-N 1 0 246.310 2.347 20 30 BEEDRO CC(C)CO[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602789328 349752381 /nfs/dbraw/zinc/75/23/81/349752381.db2.gz UOMMHTDNVSPQDU-ZDUSSCGKSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC2(CC#N)CC2)C1 ZINC000602811575 349755801 /nfs/dbraw/zinc/75/58/01/349755801.db2.gz NBQLNSJPROZHMW-GXTWGEPZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](CC1(CC#N)CC1)[C@H](CO)CC(C)(C)C ZINC000602837848 349777734 /nfs/dbraw/zinc/77/77/34/349777734.db2.gz AZMJLSNQDANSBJ-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccoc1C(=O)OC ZINC000162636044 349779624 /nfs/dbraw/zinc/77/96/24/349779624.db2.gz MJWYKUGYNLWSEQ-VIFPVBQESA-N 1 0 223.272 2.120 20 30 BEEDRO N#CCC1(C[N@H+]2CCCC[C@@H]2C2(O)CC2)CC1 ZINC000602844007 349781641 /nfs/dbraw/zinc/78/16/41/349781641.db2.gz XUSGWVBLGXSAKK-GFCCVEGCSA-N 1 0 234.343 2.060 20 30 BEEDRO C[C@@H]1CN(CC2(CC#N)CC2)CC[N@@H+](C2CC2)C1 ZINC000602832537 349768742 /nfs/dbraw/zinc/76/87/42/349768742.db2.gz PABJAWPMSUWGKR-CYBMUJFWSA-N 1 0 247.386 2.096 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000602808012 349770496 /nfs/dbraw/zinc/77/04/96/349770496.db2.gz YCUXOHFMRZIPPP-YNEHKIRRSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)N1CC#N ZINC000602854967 349788247 /nfs/dbraw/zinc/78/82/47/349788247.db2.gz FNUIIFYFNTZXFD-KBPBESRZSA-N 1 0 243.354 2.105 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H]2c2cn[nH]c2)CC1 ZINC000602880833 349790748 /nfs/dbraw/zinc/79/07/48/349790748.db2.gz MUIIXGBIZUQLMA-LBPRGKRZSA-N 1 0 230.315 2.240 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000602880001 349790786 /nfs/dbraw/zinc/79/07/86/349790786.db2.gz IYRFSWQQMQZIQT-GFCCVEGCSA-N 1 0 232.331 2.486 20 30 BEEDRO C[C@@H]1CCC[N@H+](CC2(CC#N)CC2)[C@@H]1CCO ZINC000602882725 349791668 /nfs/dbraw/zinc/79/16/68/349791668.db2.gz NEFOHVQQVQBHHE-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849698 349784722 /nfs/dbraw/zinc/78/47/22/349784722.db2.gz MHXYBECATOXEGM-OKILXGFUSA-N 1 0 235.375 2.261 20 30 BEEDRO CC(C)C[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849746 349784929 /nfs/dbraw/zinc/78/49/29/349784929.db2.gz NGBMHMOMRLWHJP-MCIONIFRSA-N 1 0 237.391 2.339 20 30 BEEDRO C[C@@H]1C[NH+](CC2=CCCC2)C[C@@H](C)N1CC#N ZINC000602850194 349785373 /nfs/dbraw/zinc/78/53/73/349785373.db2.gz PKDGCGWEDKCCPH-CHWSQXEVSA-N 1 0 233.359 2.015 20 30 BEEDRO CCC(CC)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851249 349786433 /nfs/dbraw/zinc/78/64/33/349786433.db2.gz VNOOQVFMZPQDHX-BETUJISGSA-N 1 0 237.391 2.341 20 30 BEEDRO CC/C=C/CC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602855160 349787657 /nfs/dbraw/zinc/78/76/57/349787657.db2.gz STNLCHGZVHDNSB-DLPZHFSESA-N 1 0 235.375 2.261 20 30 BEEDRO Cn1cc(C2=CCC[N@H+](CCCCC#N)C2)cn1 ZINC000602886831 349793778 /nfs/dbraw/zinc/79/37/78/349793778.db2.gz IVIGSBHMASIRIH-UHFFFAOYSA-N 1 0 244.342 2.203 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)Cc1ccsc1 ZINC000049181868 343094329 /nfs/dbraw/zinc/09/43/29/343094329.db2.gz ZPYFKQBJXVSDPN-VHSXEESVSA-N 1 0 208.330 2.428 20 30 BEEDRO C=C1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1 ZINC000066874728 343119240 /nfs/dbraw/zinc/11/92/40/343119240.db2.gz FFYCUCCCMGMSIH-UHFFFAOYSA-N 1 0 244.338 2.198 20 30 BEEDRO Cc1cnn(CCCCC[NH2+][C@@H](C)CC#N)c1 ZINC000602864738 349797260 /nfs/dbraw/zinc/79/72/60/349797260.db2.gz VIIXEGRKGTZFOW-ZDUSSCGKSA-N 1 0 234.347 2.254 20 30 BEEDRO C=CCCCn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000640936358 362074338 /nfs/dbraw/zinc/07/43/38/362074338.db2.gz VABRRYDRFUPYMJ-NSHDSACASA-N 1 0 222.336 2.290 20 30 BEEDRO C=CCCCCn1cc([C@@H]([NH3+])CC)nn1 ZINC000640939986 362075825 /nfs/dbraw/zinc/07/58/25/362075825.db2.gz ZTKKBAJAVQSBON-JTQLQIEISA-N 1 0 208.309 2.044 20 30 BEEDRO Cc1ccoc1C[NH+]1CCC(C#N)CC1 ZINC000123750993 136271068 /nfs/dbraw/zinc/27/10/68/136271068.db2.gz WKBILIKZUODDAP-UHFFFAOYSA-N 1 0 204.273 2.324 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+](CCOCCC#N)C1 ZINC000339009321 136271134 /nfs/dbraw/zinc/27/11/34/136271134.db2.gz AZAKGNLVYVBYQR-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000237379225 343135597 /nfs/dbraw/zinc/13/55/97/343135597.db2.gz XRZITGUHBGMUAX-DGCLKSJQSA-N 1 0 236.359 2.093 20 30 BEEDRO Cc1cnccc1C[NH2+]CC1(CC#N)CC1 ZINC000129776398 343184992 /nfs/dbraw/zinc/18/49/92/343184992.db2.gz DAQVBCUQGODJMH-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237639948 343161018 /nfs/dbraw/zinc/16/10/18/343161018.db2.gz XRZITGUHBGMUAX-AAEUAGOBSA-N 1 0 236.359 2.093 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000122851202 343161305 /nfs/dbraw/zinc/16/13/05/343161305.db2.gz WYVLAPKAPOOBMN-WDEREUQCSA-N 1 0 218.300 2.072 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccncn1 ZINC000393802987 259356710 /nfs/dbraw/zinc/35/67/10/259356710.db2.gz NDXKXPBMVLMWIW-MNOVXSKESA-N 1 0 205.305 2.482 20 30 BEEDRO C[C@@](O)(C[NH2+][C@H]1CCC[C@H](C#N)C1)c1ccco1 ZINC000185849632 136275375 /nfs/dbraw/zinc/27/53/75/136275375.db2.gz XZUCPRZPRAYPEP-SGMGOOAPSA-N 1 0 248.326 2.159 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000336757803 136275530 /nfs/dbraw/zinc/27/55/30/136275530.db2.gz JLVKLPQIBZYRDQ-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO CC(C)CON=C(N)COc1ccccc1F ZINC000186864029 136275541 /nfs/dbraw/zinc/27/55/41/136275541.db2.gz DCWFIVGCXLFTMM-UHFFFAOYSA-N 1 0 240.278 2.149 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000336757804 136275601 /nfs/dbraw/zinc/27/56/01/136275601.db2.gz JLVKLPQIBZYRDQ-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO Cc1ccncc1C[NH+]1CCC(C#N)CC1 ZINC000336433657 136276424 /nfs/dbraw/zinc/27/64/24/136276424.db2.gz KGULKMKZYPKBTM-UHFFFAOYSA-N 1 0 215.300 2.126 20 30 BEEDRO Cc1ccc(C#N)cc1OCC[C@@H]1CC[NH2+]C1 ZINC000396741595 349801016 /nfs/dbraw/zinc/80/10/16/349801016.db2.gz RDTAXCMGHKVPST-LBPRGKRZSA-N 1 0 230.311 2.245 20 30 BEEDRO COCCOc1ccc(C[NH2+]CCCC#N)cc1 ZINC000273041383 136282810 /nfs/dbraw/zinc/28/28/10/136282810.db2.gz IMYFXUKFPUALGT-UHFFFAOYSA-N 1 0 248.326 2.105 20 30 BEEDRO N#CCCC[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000273070081 136283435 /nfs/dbraw/zinc/28/34/35/136283435.db2.gz OGVMMMRBHJPGCI-UHFFFAOYSA-N 1 0 240.310 2.470 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000162577271 136277493 /nfs/dbraw/zinc/27/74/93/136277493.db2.gz BLZQMWHPRBYXND-SRVKXCTJSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCN1CC[C@H](C[NH3+])c2ccccc21 ZINC000634688352 343247150 /nfs/dbraw/zinc/24/71/50/343247150.db2.gz PTAVOTFKGTWRAV-LLVKDONJSA-N 1 0 202.301 2.125 20 30 BEEDRO C=CCN1CC[C@@H](C[NH3+])c2ccccc21 ZINC000634688353 343247663 /nfs/dbraw/zinc/24/76/63/343247663.db2.gz PTAVOTFKGTWRAV-NSHDSACASA-N 1 0 202.301 2.125 20 30 BEEDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(C#N)o1 ZINC000343466378 343249478 /nfs/dbraw/zinc/24/94/78/343249478.db2.gz JJUAFOJEEFDLGE-LLVKDONJSA-N 1 0 234.299 2.152 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000339012285 136280209 /nfs/dbraw/zinc/28/02/09/136280209.db2.gz JIPZDTCWVUWAOR-QLFBSQMISA-N 1 0 249.402 2.342 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCN([C@@H]2CC[C@H](C#N)C2)C1 ZINC000339012287 136280212 /nfs/dbraw/zinc/28/02/12/136280212.db2.gz JIPZDTCWVUWAOR-SOUVJXGZSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343551973 343253382 /nfs/dbraw/zinc/25/33/82/343253382.db2.gz OGYSYQLZIOHHGS-SWLSCSKDSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000343584074 343257337 /nfs/dbraw/zinc/25/73/37/343257337.db2.gz AYKSYYSEZWZIAC-DOMZBBRYSA-N 1 0 244.338 2.115 20 30 BEEDRO N#CCCOCC[N@@H+]1CCc2ccsc2C1 ZINC000293699763 136289732 /nfs/dbraw/zinc/28/97/32/136289732.db2.gz CPMCLVQALUJTRY-UHFFFAOYSA-N 1 0 236.340 2.036 20 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20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)C2=CCCC2)CC1 ZINC000348788419 136301027 /nfs/dbraw/zinc/30/10/27/136301027.db2.gz XNUYNLBITULXGL-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631110180 343345577 /nfs/dbraw/zinc/34/55/77/343345577.db2.gz FUDGOZKVBWIMTN-JTQLQIEISA-N 1 0 242.269 2.046 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccc(C#N)cc1C ZINC000165455977 343353094 /nfs/dbraw/zinc/35/30/94/343353094.db2.gz OSSQSFCTEBUPIU-UHFFFAOYSA-N 1 0 246.354 2.461 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)C1CC(O)C1 ZINC000335673541 136317478 /nfs/dbraw/zinc/31/74/78/136317478.db2.gz REWOXWLPWAMNGQ-GWMXKSKGSA-N 1 0 230.311 2.074 20 30 BEEDRO C[C@H]1[C@H]([NH2+]Cc2cc(C#N)cs2)CCCN1C ZINC000344301455 343395272 /nfs/dbraw/zinc/39/52/72/343395272.db2.gz KNDWKYNKEFTYLI-GXFFZTMASA-N 1 0 249.383 2.192 20 30 BEEDRO Cc1ccc(C[NH2+]C2CCN(CC#N)CC2)s1 ZINC000609334866 343418798 /nfs/dbraw/zinc/41/87/98/343418798.db2.gz JSNVRAISTGXRLY-UHFFFAOYSA-N 1 0 249.383 2.134 20 30 BEEDRO CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000344580763 343421398 /nfs/dbraw/zinc/42/13/98/343421398.db2.gz PQFLQHHJANTZFC-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(CCO)CCCCC2)o1 ZINC000344599348 343422084 /nfs/dbraw/zinc/42/20/84/343422084.db2.gz FGOIYSRCLZISLO-UHFFFAOYSA-N 1 0 248.326 2.326 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CCN1CCOCC1 ZINC000349490571 136352208 /nfs/dbraw/zinc/35/22/08/136352208.db2.gz BZMFFXIQTDKTAP-KGLIPLIRSA-N 1 0 240.391 2.042 20 30 BEEDRO CC#CCC[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000166299459 136331923 /nfs/dbraw/zinc/33/19/23/136331923.db2.gz BBBSHKQICGGLJD-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)[C@H](C)CO ZINC000349276596 136333825 /nfs/dbraw/zinc/33/38/25/136333825.db2.gz KGHHYKKLLYWBTA-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1cc(C#N)cs1 ZINC000335719821 136340637 /nfs/dbraw/zinc/34/06/37/136340637.db2.gz TZYQACKZTUSHLE-WDEREUQCSA-N 1 0 249.383 2.144 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000349349383 136342706 /nfs/dbraw/zinc/34/27/06/136342706.db2.gz AQFKRUPXMIPASG-MDZLAQPJSA-N 1 0 228.295 2.402 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000349346751 136342724 /nfs/dbraw/zinc/34/27/24/136342724.db2.gz YTBAPSGPZBIFML-XVIXHAIJSA-N 1 0 246.354 2.226 20 30 BEEDRO COc1ccc([C@@H](C)[NH2+]CCOCCC#N)cc1 ZINC000293778105 536886572 /nfs/dbraw/zinc/88/65/72/536886572.db2.gz LOTLKGBCRJMMEA-GFCCVEGCSA-N 1 0 248.326 2.276 20 30 BEEDRO C=C(C)CN(C)[C@H](C)c1nnc(CC)o1 ZINC000351097971 136367668 /nfs/dbraw/zinc/36/76/68/136367668.db2.gz JUOQOIBSWRTINO-SECBINFHSA-N 1 0 209.293 2.201 20 30 BEEDRO Cc1cc(CN2CC[N@@H+](C)C[C@@H]2C)ccc1C#N ZINC000335863664 344033162 /nfs/dbraw/zinc/03/31/62/344033162.db2.gz LHXMPSOJXFEYKL-ZDUSSCGKSA-N 1 0 243.354 2.003 20 30 BEEDRO C[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccccc2)CCO1 ZINC000271240773 136374956 /nfs/dbraw/zinc/37/49/56/136374956.db2.gz DIFIMMJLWWLTFY-RYUDHWBXSA-N 1 0 247.342 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CCOC1CC(C[N@H+](C)[C@@H]2CCC[C@@H]2C#N)C1 ZINC000602981869 349832765 /nfs/dbraw/zinc/83/27/65/349832765.db2.gz KORVLVFRXFIQMC-FKZOYECMSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@H]1CN(c2cccc(Cl)c2C#N)CC[NH2+]1 ZINC000083814890 343674237 /nfs/dbraw/zinc/67/42/37/343674237.db2.gz KWUSUVDGCIYYKP-VIFPVBQESA-N 1 0 235.718 2.010 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)CO1 ZINC000087595159 343654677 /nfs/dbraw/zinc/65/46/77/343654677.db2.gz MNSFWTIONPWCQU-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H]([NH2+]Cc1ccnn1C)c1cccc(C#N)c1 ZINC000071333586 343657915 /nfs/dbraw/zinc/65/79/15/343657915.db2.gz NREXMHUBUOTGHI-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000379982460 343663289 /nfs/dbraw/zinc/66/32/89/343663289.db2.gz IFUCCNUUYKXCMU-QWRGUYRKSA-N 1 0 204.273 2.370 20 30 BEEDRO N#Cc1cccc(-c2nc([C@@H]3CCC[NH2+]3)no2)c1 ZINC000071396464 343664285 /nfs/dbraw/zinc/66/42/85/343664285.db2.gz FRQFVKGDQCGURG-NSHDSACASA-N 1 0 240.266 2.033 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602981508 349831616 /nfs/dbraw/zinc/83/16/16/349831616.db2.gz FGAYYYJDHVWDDH-WUHRBBMRSA-N 1 0 222.332 2.035 20 30 BEEDRO CC[C@H]1CCCC[N@@H+]1CCOCCC#N ZINC000338894284 343691960 /nfs/dbraw/zinc/69/19/60/343691960.db2.gz HAMUMDMQIIJMTN-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602979171 349843426 /nfs/dbraw/zinc/84/34/26/349843426.db2.gz AQOJEBKFWBSWAD-KBPBESRZSA-N 1 0 246.358 2.206 20 30 BEEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CCOCCC#N)C1 ZINC000339121513 343695269 /nfs/dbraw/zinc/69/52/69/343695269.db2.gz YTRPTRBLFXUKAP-FRRDWIJNSA-N 1 0 224.348 2.283 20 30 BEEDRO C[N@H+](CCCSCC#N)[C@@H]1CCC[C@H]1C#N ZINC000602977363 349841953 /nfs/dbraw/zinc/84/19/53/349841953.db2.gz AHOVNYKCXIIIPQ-NWDGAFQWSA-N 1 0 237.372 2.257 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@H](O)[C@H]3CCCC[C@H]32)CC1 ZINC000602997454 349851358 /nfs/dbraw/zinc/85/13/58/349851358.db2.gz KIHBUASPEUVOJX-MJBXVCDLSA-N 1 0 248.370 2.306 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@H]1CCC[C@@H]1C#N ZINC000602980691 349846592 /nfs/dbraw/zinc/84/65/92/349846592.db2.gz TZEVJTZTFHMHAR-KGLIPLIRSA-N 1 0 229.327 2.248 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccc(C#N)cn2)C[C@@H]1C ZINC000584180689 343770230 /nfs/dbraw/zinc/77/02/30/343770230.db2.gz ZZUBUUJYBKNGPR-QWRGUYRKSA-N 1 0 215.300 2.041 20 30 BEEDRO [NH2+]=C(NCC1(C2CC2)CCC1)Nc1ccccn1 ZINC000178898786 346968046 /nfs/dbraw/zinc/96/80/46/346968046.db2.gz SLZJIYDVKGMLFL-UHFFFAOYSA-N 1 0 244.342 2.389 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000313036523 343752812 /nfs/dbraw/zinc/75/28/12/343752812.db2.gz XYJQZCTYPKMCOO-ZDUSSCGKSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]([NH2+]Cc1nc(C#N)cs1)C1CCC1 ZINC000309079455 349855144 /nfs/dbraw/zinc/85/51/44/349855144.db2.gz NVFLOXNXACAOEB-QMMMGPOBSA-N 1 0 221.329 2.293 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000625700013 344039890 /nfs/dbraw/zinc/03/98/90/344039890.db2.gz GTZFITCJGPAQAG-KBPBESRZSA-N 1 0 239.359 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BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348104956 537838449 /nfs/dbraw/zinc/83/84/49/537838449.db2.gz FJIGHEKYINQZIN-HUUCEWRRSA-N 1 0 234.387 2.415 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CC)C(C)(C)C ZINC000290278566 344112286 /nfs/dbraw/zinc/11/22/86/344112286.db2.gz YVMQLCKSFNVDOB-GFCCVEGCSA-N 1 0 219.332 2.041 20 30 BEEDRO C[NH2+]C(C)(C)c1cn(CCCC(C)(C)C#N)nn1 ZINC000603260704 349901923 /nfs/dbraw/zinc/90/19/23/349901923.db2.gz OOEGYWUEBNTZNB-UHFFFAOYSA-N 1 0 249.362 2.063 20 30 BEEDRO C[C@@H]1CC[C@](CO)([N@H+](C)CCCCC#N)C1 ZINC000187983366 259372684 /nfs/dbraw/zinc/37/26/84/259372684.db2.gz ARKORXRQAIXISD-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H]1CC[C@](CO)([N@H+](C)CCCCC#N)C1 ZINC000187983390 259372697 /nfs/dbraw/zinc/37/26/97/259372697.db2.gz ARKORXRQAIXISD-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000078657605 344100961 /nfs/dbraw/zinc/10/09/61/344100961.db2.gz VRKXXQFEPITSPE-UHFFFAOYSA-N 1 0 245.322 2.473 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(C(=O)OC)c(F)c1 ZINC000234655551 344172080 /nfs/dbraw/zinc/17/20/80/344172080.db2.gz LLIVZLQLUCTNLZ-VIFPVBQESA-N 1 0 237.274 2.276 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C#N)s1 ZINC000165231419 166202725 /nfs/dbraw/zinc/20/27/25/166202725.db2.gz INTCWDMUNUWDGF-UHFFFAOYSA-N 1 0 236.365 2.076 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cccnc1 ZINC000129992470 344217502 /nfs/dbraw/zinc/21/75/02/344217502.db2.gz DBTOFIPZTNQCHY-LLVKDONJSA-N 1 0 220.341 2.099 20 30 BEEDRO CC(C)(C)C[N@H+](CCCO)CCCCC#N ZINC000106934633 347038510 /nfs/dbraw/zinc/03/85/10/347038510.db2.gz CFDRDZPWKMFAFS-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634757648 344220615 /nfs/dbraw/zinc/22/06/15/344220615.db2.gz XQFBGQPODLDLSR-SNVBAGLBSA-N 1 0 219.275 2.309 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634758677 344226922 /nfs/dbraw/zinc/22/69/22/344226922.db2.gz SXYDEEVHIYIBBV-JTQLQIEISA-N 1 0 219.275 2.309 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@H]1CCCOC1 ZINC000107064590 347042492 /nfs/dbraw/zinc/04/24/92/347042492.db2.gz YSGMQYJIDNFXFF-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000132041897 344268923 /nfs/dbraw/zinc/26/89/23/344268923.db2.gz ZYKVOQJOUMMASQ-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000290453849 344292640 /nfs/dbraw/zinc/29/26/40/344292640.db2.gz TTZQQUWSFNXASW-ZDUSSCGKSA-N 1 0 235.327 2.036 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600735482 344365177 /nfs/dbraw/zinc/36/51/77/344365177.db2.gz JRHIGGFZXOLESF-XQQFMLRXSA-N 1 0 236.359 2.065 20 30 BEEDRO CC1(C)CC[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000094802899 344330759 /nfs/dbraw/zinc/33/07/59/344330759.db2.gz LRKJTVWZPJMQIX-CQSZACIVSA-N 1 0 244.338 2.324 20 30 BEEDRO CC(C)CCOCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309399958 347046767 /nfs/dbraw/zinc/04/67/67/347046767.db2.gz VZXOBYDHJRAKAW-OLZOCXBDSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600717498 344362501 /nfs/dbraw/zinc/36/25/01/344362501.db2.gz LXLUWNYNSFLCBZ-UPJWGTAASA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600731724 344364494 /nfs/dbraw/zinc/36/44/94/344364494.db2.gz ZEKKWCGXRNXBAO-XQQFMLRXSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600749684 344368373 /nfs/dbraw/zinc/36/83/73/344368373.db2.gz RDUSGRUUMQKYSP-CHWSQXEVSA-N 1 0 236.359 2.065 20 30 BEEDRO COc1cc(C[NH2+]CC2(C)CC2)ccc1C#N ZINC000234903874 344463391 /nfs/dbraw/zinc/46/33/91/344463391.db2.gz WWEGOTOLQMBOTK-UHFFFAOYSA-N 1 0 230.311 2.457 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@@H]1O ZINC000400297388 344464525 /nfs/dbraw/zinc/46/45/25/344464525.db2.gz RMESHMDRYLUJEE-ZFWWWQNUSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000168690947 537846170 /nfs/dbraw/zinc/84/61/70/537846170.db2.gz KEFMCEWNGDRSCG-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCO1 ZINC000310004676 344494194 /nfs/dbraw/zinc/49/41/94/344494194.db2.gz GDNGEYSKHMNQJM-NDBYEHHHSA-N 1 0 222.332 2.226 20 30 BEEDRO Cc1ncccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381373029 344498961 /nfs/dbraw/zinc/49/89/61/344498961.db2.gz IYABJGJKGLYADH-YPMHNXCESA-N 1 0 215.300 2.172 20 30 BEEDRO Cc1csc(CC[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000381405983 344501755 /nfs/dbraw/zinc/50/17/55/344501755.db2.gz SJNHFKQCFCESMI-MNOVXSKESA-N 1 0 235.356 2.276 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C)CCC#N)[C@H]1CCCO1 ZINC000381491784 344512972 /nfs/dbraw/zinc/51/29/72/344512972.db2.gz YEPOSNVAOCENBM-RWMBFGLXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](C)CCC1CCOCC1 ZINC000152348216 344524521 /nfs/dbraw/zinc/52/45/21/344524521.db2.gz ZWYZDPXNZLQCEQ-CQSZACIVSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2COCCO2)CCCCC1 ZINC000625934347 344574043 /nfs/dbraw/zinc/57/40/43/344574043.db2.gz 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DNRYRMDLTUEZHR-LBPRGKRZSA-N 1 0 202.301 2.463 20 30 BEEDRO COc1cccc(CNC[C@H](C#N)CCC#N)c1 ZINC000560143944 344646557 /nfs/dbraw/zinc/64/65/57/344646557.db2.gz PGCRWRVQDUJUSB-ZDUSSCGKSA-N 1 0 243.310 2.228 20 30 BEEDRO C=C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000684162276 488271108 /nfs/dbraw/zinc/27/11/08/488271108.db2.gz ADYNAFRFARABJX-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000153027503 344734444 /nfs/dbraw/zinc/73/44/44/344734444.db2.gz MTKYHJYOEODENI-MNOVXSKESA-N 1 0 215.724 2.240 20 30 BEEDRO C#CCN(Cc1cc(C(C)=O)no1)C1CCCC1 ZINC000491814171 259379440 /nfs/dbraw/zinc/37/94/40/259379440.db2.gz MJSMZQOYJWKNSU-UHFFFAOYSA-N 1 0 246.310 2.255 20 30 BEEDRO N#Cc1ccc(CN2CCOCC23CCC3)cc1 ZINC000135528233 344741346 /nfs/dbraw/zinc/74/13/46/344741346.db2.gz MUQLDYUFQQXLKE-UHFFFAOYSA-N 1 0 242.322 2.313 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](COC)CC(C)C ZINC000309496665 347077617 /nfs/dbraw/zinc/07/76/17/347077617.db2.gz YQCSYWLYMNNIGI-CYBMUJFWSA-N 1 0 229.364 2.230 20 30 BEEDRO N#Cc1cccc(C[N@@H+](CCCCO)C2CC2)c1 ZINC000077376376 344817218 /nfs/dbraw/zinc/81/72/18/344817218.db2.gz NKBNTTZXIZXJHP-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@@H](C[NH2+]Cc1cccc(C#N)c1)C[C@H](C)O ZINC000077425626 344824221 /nfs/dbraw/zinc/82/42/21/344824221.db2.gz HTQMMWRFXMHYHL-NEPJUHHUSA-N 1 0 232.327 2.055 20 30 BEEDRO CCc1ccccc1CNC(NC1CC1)=[NH+]C ZINC000077965314 344832151 /nfs/dbraw/zinc/83/21/51/344832151.db2.gz OSEZXXCVMZNVRX-UHFFFAOYSA-N 1 0 231.343 2.076 20 30 BEEDRO C[N@H+](CCCCC#N)CCC1CCOCC1 ZINC000120339375 344887193 /nfs/dbraw/zinc/88/71/93/344887193.db2.gz ZSXILIMPWHRNIC-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000424806646 192079790 /nfs/dbraw/zinc/07/97/90/192079790.db2.gz RENXHJBPZKAYHO-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000237819914 344907036 /nfs/dbraw/zinc/90/70/36/344907036.db2.gz MHSRWFKSIZEDTO-ZDUSSCGKSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CCN(C)Cc1nnc(C2CC2)n1C1CC1 ZINC000121635046 344931803 /nfs/dbraw/zinc/93/18/03/344931803.db2.gz NCWZIOVTNGJULP-UHFFFAOYSA-N 1 0 232.331 2.108 20 30 BEEDRO CN(Cc1ccccc1O)C[C@@H](C#N)CCC#N ZINC000121151408 344914911 /nfs/dbraw/zinc/91/49/11/344914911.db2.gz VIKGMBPRDBXTEH-GFCCVEGCSA-N 1 0 243.310 2.268 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631113407 344918810 /nfs/dbraw/zinc/91/88/10/344918810.db2.gz GQEYDDUFZXEGDE-UHFFFAOYSA-N 1 0 206.289 2.233 20 30 BEEDRO CCc1ccc(C(C)(C)CNC(=[NH2+])NC)cc1 ZINC000079382848 344959681 /nfs/dbraw/zinc/95/96/81/344959681.db2.gz VOULMZXRUQERPL-UHFFFAOYSA-N 1 0 233.359 2.061 20 30 BEEDRO C#CCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000224543106 344944887 /nfs/dbraw/zinc/94/48/87/344944887.db2.gz ZKBAWVGFQIRIIT-MRXNPFEDSA-N 1 0 242.366 2.389 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C(C)(C)C ZINC000425195459 192083130 /nfs/dbraw/zinc/08/31/30/192083130.db2.gz UDRMWTYXFKBWFR-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]CCC#N ZINC000574750548 344990909 /nfs/dbraw/zinc/99/09/09/344990909.db2.gz XJQGAGZNPQADKK-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000583448304 344993100 /nfs/dbraw/zinc/99/31/00/344993100.db2.gz VVWVNWBKLXXLIO-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCCC[C@@H]1CO ZINC000083642191 534981736 /nfs/dbraw/zinc/98/17/36/534981736.db2.gz GNRBMDSIBQOHRP-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000089268785 537884023 /nfs/dbraw/zinc/88/40/23/537884023.db2.gz NIIZNUBQXASNDF-SNVBAGLBSA-N 1 0 205.305 2.123 20 30 BEEDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000044370540 345043330 /nfs/dbraw/zinc/04/33/30/345043330.db2.gz GONFECLVJVXCPM-LBPRGKRZSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(C#N)cn1 ZINC000079914539 345054565 /nfs/dbraw/zinc/05/45/65/345054565.db2.gz XOLSGZMVKDIENH-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO CC(C)(C#N)CC[N@H+](CCO)Cc1ccccc1 ZINC000087594801 534986513 /nfs/dbraw/zinc/98/65/13/534986513.db2.gz HXIYBQMVWSKRQZ-UHFFFAOYSA-N 1 0 246.354 2.421 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000166510900 166211619 /nfs/dbraw/zinc/21/16/19/166211619.db2.gz FYRXUXNZRITKIP-SECBINFHSA-N 1 0 225.238 2.399 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289541708 166211463 /nfs/dbraw/zinc/21/14/63/166211463.db2.gz QOCNGFMLHWNZFO-SNVBAGLBSA-N 1 0 218.256 2.015 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000225605925 345166593 /nfs/dbraw/zinc/16/65/93/345166593.db2.gz HIBVDBDJNPFKAF-UONOGXRCSA-N 1 0 241.375 2.372 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000678797171 488284248 /nfs/dbraw/zinc/28/42/48/488284248.db2.gz BKRFQOXUIZRSNS-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000289341794 345248139 /nfs/dbraw/zinc/24/81/39/345248139.db2.gz HYJNPKGVFIAMMO-NSHDSACASA-N 1 0 203.285 2.120 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000381297399 345261693 /nfs/dbraw/zinc/26/16/93/345261693.db2.gz GZFKATXWCRPAOG-GMXVVIOVSA-N 1 0 215.300 2.424 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1COCCO1 ZINC000449093326 201806067 /nfs/dbraw/zinc/80/60/67/201806067.db2.gz VNFFJGLNBMNGIL-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CC(C)OC1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000381321716 345311888 /nfs/dbraw/zinc/31/18/88/345311888.db2.gz PCHKKZRZZAOXHU-ZFDZMSFRSA-N 1 0 222.332 2.224 20 30 BEEDRO CC(C)C(N)=[NH+]OCCN(C)c1ccccc1 ZINC000133633907 345380864 /nfs/dbraw/zinc/38/08/64/345380864.db2.gz OOVAPFJGOHHYOL-UHFFFAOYSA-N 1 0 235.331 2.068 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(F)cc1 ZINC000133643125 345381800 /nfs/dbraw/zinc/38/18/00/345381800.db2.gz ONHBMYFRWNFRPF-UHFFFAOYSA-N 1 0 210.252 2.271 20 30 BEEDRO C[N@H+](CCCC#N)Cc1cccc(O)c1 ZINC000531382220 323088403 /nfs/dbraw/zinc/08/84/03/323088403.db2.gz HOQQGGVSUGWLJO-UHFFFAOYSA-N 1 0 204.273 2.128 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000159186682 345414320 /nfs/dbraw/zinc/41/43/20/345414320.db2.gz HGCAFOJAZCOPDQ-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159446793 345434491 /nfs/dbraw/zinc/43/44/91/345434491.db2.gz LPYPBGWAAVIPQU-OKILXGFUSA-N 1 0 248.370 2.108 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CCC(CO)CC1 ZINC000128110070 534995295 /nfs/dbraw/zinc/99/52/95/534995295.db2.gz GCDYCOSIOHGGEK-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)[C@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449139488 201819156 /nfs/dbraw/zinc/81/91/56/201819156.db2.gz GSNSGTHELFFYKS-OTTFEQOBSA-N 1 0 224.348 2.065 20 30 BEEDRO C[NH+](C)CCNc1cc(C#N)nc2ccccc21 ZINC000090998174 345578927 /nfs/dbraw/zinc/57/89/27/345578927.db2.gz WXOWEXPLBSKLLM-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000090033952 345562892 /nfs/dbraw/zinc/56/28/92/345562892.db2.gz YRSILHHLSKFZPW-NWDGAFQWSA-N 1 0 248.374 2.346 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCNc1cnccn1 ZINC000449192873 201832361 /nfs/dbraw/zinc/83/23/61/201832361.db2.gz RRKKRRAKVKSWFT-ZDUSSCGKSA-N 1 0 248.374 2.035 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000091515197 345596553 /nfs/dbraw/zinc/59/65/53/345596553.db2.gz VXUAJHXNCYCYQK-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(C(=O)NC)CC1 ZINC000091531359 345596717 /nfs/dbraw/zinc/59/67/17/345596717.db2.gz UCLRVUMSIODOEI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000091540744 345597725 /nfs/dbraw/zinc/59/77/25/345597725.db2.gz NGKXJSHIPGFRTI-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCN(C2CC2)C(=O)C1 ZINC000091589358 345600539 /nfs/dbraw/zinc/60/05/39/345600539.db2.gz IUTMWTVNFSEPOE-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO CC[C@H](CCO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449195304 201835213 /nfs/dbraw/zinc/83/52/13/201835213.db2.gz QVAFFLIMNUOCCV-IYXRBSQSSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000092471615 345624165 /nfs/dbraw/zinc/62/41/65/345624165.db2.gz JVQGTNFJIJFZNY-VIFPVBQESA-N 1 0 206.314 2.462 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccncc1)C1CC1 ZINC000093222167 345658972 /nfs/dbraw/zinc/65/89/72/345658972.db2.gz NRRMQBMFCMVVQU-OAHLLOKOSA-N 1 0 246.354 2.373 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C(=O)NC)C(C)C ZINC000449207816 201836566 /nfs/dbraw/zinc/83/65/66/201836566.db2.gz QKRVALUGRACGTQ-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO CCn1nccc1C[NH2+]CC1CCC(C#N)CC1 ZINC000282197880 133559615 /nfs/dbraw/zinc/55/96/15/133559615.db2.gz CLJQKHDGVINHNR-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC(F)F)cc1 ZINC000166510782 166216773 /nfs/dbraw/zinc/21/67/73/166216773.db2.gz FYRXUXNZRITKIP-VIFPVBQESA-N 1 0 225.238 2.399 20 30 BEEDRO C=CC[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000143771330 345707209 /nfs/dbraw/zinc/70/72/09/345707209.db2.gz CKADWFKLHFDFMM-UHFFFAOYSA-N 1 0 247.338 2.290 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000168184816 535006448 /nfs/dbraw/zinc/00/64/48/535006448.db2.gz BTZBVICFQWGRTB-MNOVXSKESA-N 1 0 224.348 2.065 20 30 BEEDRO Cc1nccc(NCc2ccc(C#N)cc2)n1 ZINC000054935930 345773105 /nfs/dbraw/zinc/77/31/05/345773105.db2.gz BKOMVLLUBLOSNJ-UHFFFAOYSA-N 1 0 224.267 2.269 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000160002774 345782572 /nfs/dbraw/zinc/78/25/72/345782572.db2.gz FCKYIFCBNRZACS-LLVKDONJSA-N 1 0 220.341 2.346 20 30 BEEDRO C#C[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000289571420 166217688 /nfs/dbraw/zinc/21/76/88/166217688.db2.gz SMLUPTBGXYJMPL-NSHDSACASA-N 1 0 213.280 2.074 20 30 BEEDRO CC(C)C[NH2+]CCc1cccc(C#N)c1 ZINC000082954947 345794506 /nfs/dbraw/zinc/79/45/06/345794506.db2.gz DBWQVKXIWQIAPG-UHFFFAOYSA-N 1 0 202.301 2.346 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(OC(F)F)c1 ZINC000289584241 166217118 /nfs/dbraw/zinc/21/71/18/166217118.db2.gz UETSMIOGKZXUGA-VIFPVBQESA-N 1 0 225.238 2.399 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](C)C(C)C ZINC000340312456 133569032 /nfs/dbraw/zinc/56/90/32/133569032.db2.gz OMHRGVRGGXWRMH-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000144315128 345919635 /nfs/dbraw/zinc/91/96/35/345919635.db2.gz NEYBNWZZOWRODQ-ZDUSSCGKSA-N 1 0 205.301 2.228 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000400934297 345923267 /nfs/dbraw/zinc/92/32/67/345923267.db2.gz PVLSFBNFQYIFIJ-OLZOCXBDSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1cn[nH]c1 ZINC000289591953 345937858 /nfs/dbraw/zinc/93/78/58/345937858.db2.gz CBNAHFMAANDROB-GHMZBOCLSA-N 1 0 207.321 2.143 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cn[nH]c1 ZINC000289591957 345937929 /nfs/dbraw/zinc/93/79/29/345937929.db2.gz CBNAHFMAANDROB-QWRGUYRKSA-N 1 0 207.321 2.143 20 30 BEEDRO CC1=CC[C@@H]([NH2+]C2CCN(CC#N)CC2)CC1 ZINC000585725134 345981860 /nfs/dbraw/zinc/98/18/60/345981860.db2.gz HPARTBFQESEPPZ-CYBMUJFWSA-N 1 0 233.359 2.063 20 30 BEEDRO CCC[C@@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000585766740 345989260 /nfs/dbraw/zinc/98/92/60/345989260.db2.gz QHWNIZUKZKXUMG-LLVKDONJSA-N 1 0 242.326 2.484 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000320279273 323105267 /nfs/dbraw/zinc/10/52/67/323105267.db2.gz NLOXIKPOFWPYIP-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cccc(C)c1 ZINC000289623319 346162356 /nfs/dbraw/zinc/16/23/56/346162356.db2.gz DSKAEGKFWBCZHP-DGCLKSJQSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccccc1 ZINC000289652596 346235476 /nfs/dbraw/zinc/23/54/76/346235476.db2.gz GIGLYLIXPRJSDH-CHWSQXEVSA-N 1 0 205.301 2.274 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)COc1cccc(CC)c1 ZINC000161934772 487527325 /nfs/dbraw/zinc/52/73/25/487527325.db2.gz DMTAXZNBJBRUJP-CQSZACIVSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccccc1F ZINC000289677971 346251876 /nfs/dbraw/zinc/25/18/76/346251876.db2.gz HPDQSJOJEGPFLC-ZWNOBZJWSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1F ZINC000289677960 346252115 /nfs/dbraw/zinc/25/21/15/346252115.db2.gz HPDQSJOJEGPFLC-GWCFXTLKSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnc(C)o1 ZINC000628258377 346258813 /nfs/dbraw/zinc/25/88/13/346258813.db2.gz BPDCNBWVFSQVSJ-AAEUAGOBSA-N 1 0 236.315 2.054 20 30 BEEDRO C=CCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000636139325 346331452 /nfs/dbraw/zinc/33/14/52/346331452.db2.gz MTAWEJSHQPJHGR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636089920 346315951 /nfs/dbraw/zinc/31/59/51/346315951.db2.gz BZVGZBWTWOPNEK-GHMZBOCLSA-N 1 0 238.375 2.044 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000641768005 362698169 /nfs/dbraw/zinc/69/81/69/362698169.db2.gz TYOVNLBAOLVGKA-VHDGCEQUSA-N 1 0 235.371 2.343 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000281307812 346358021 /nfs/dbraw/zinc/35/80/21/346358021.db2.gz JSQLUUNFPZKYGV-SNVBAGLBSA-N 1 0 238.356 2.291 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cccc(CC)c1 ZINC000641766763 362699130 /nfs/dbraw/zinc/69/91/30/362699130.db2.gz BKMBDIJOJOPQIF-OAHLLOKOSA-N 1 0 231.339 2.113 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000641766839 362699337 /nfs/dbraw/zinc/69/93/37/362699337.db2.gz BVLYWQAYINLFRI-KFWWJZLASA-N 1 0 235.371 2.343 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]CC(C(C)C)C(C)C ZINC000641767233 362700727 /nfs/dbraw/zinc/70/07/27/362700727.db2.gz HSNPMRMAYBPFHG-CYBMUJFWSA-N 1 0 225.376 2.279 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000641767216 362701331 /nfs/dbraw/zinc/70/13/31/362701331.db2.gz HNVXGLMEKAMKSH-MGPQQGTHSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CCC2(CC2)CC1 ZINC000641767581 362702698 /nfs/dbraw/zinc/70/26/98/362702698.db2.gz LUPVODBVADJWEX-ZDUSSCGKSA-N 1 0 221.344 2.073 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000641769711 362704009 /nfs/dbraw/zinc/70/40/09/362704009.db2.gz YLFQTYXSGVVRFR-HZSPNIEDSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1cccc2cc[nH]c21 ZINC000641769753 362706007 /nfs/dbraw/zinc/70/60/07/362706007.db2.gz ZUBJKLIOSLBJQE-CQSZACIVSA-N 1 0 242.322 2.032 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2sccc21 ZINC000289761383 346342568 /nfs/dbraw/zinc/34/25/68/346342568.db2.gz LRQQMONSFMCBOM-MWLCHTKSSA-N 1 0 223.341 2.262 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000563383190 323122093 /nfs/dbraw/zinc/12/20/93/323122093.db2.gz KQZHSMNLYYFTSA-NSHDSACASA-N 1 0 235.331 2.013 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1c(F)cccc1CC ZINC000641775809 362715794 /nfs/dbraw/zinc/71/57/94/362715794.db2.gz ZYYRGJUDTHBLLO-LLVKDONJSA-N 1 0 223.291 2.025 20 30 BEEDRO C=CC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282220618 346387175 /nfs/dbraw/zinc/38/71/75/346387175.db2.gz KDLXCPIAZMNQMB-UHFFFAOYSA-N 1 0 233.340 2.424 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCSCc1ccccc1 ZINC000291599708 346398469 /nfs/dbraw/zinc/39/84/69/346398469.db2.gz QKJJQCJVYODRBI-CYBMUJFWSA-N 1 0 237.368 2.056 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(F)cc1F ZINC000289846641 346391262 /nfs/dbraw/zinc/39/12/62/346391262.db2.gz QFISEUPIIODZKU-SCZZXKLOSA-N 1 0 227.254 2.162 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000574924480 346414266 /nfs/dbraw/zinc/41/42/66/346414266.db2.gz PJZZLYQHVGPDIM-CYBMUJFWSA-N 1 0 215.300 2.328 20 30 BEEDRO N#Cc1cc(CN2CCCC2)c(F)cc1F ZINC000669379703 537982407 /nfs/dbraw/zinc/98/24/07/537982407.db2.gz KFQOCAGDCPMERM-UHFFFAOYSA-N 1 0 222.238 2.432 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000186699370 346529171 /nfs/dbraw/zinc/52/91/71/346529171.db2.gz WZUIVLHACFWVLN-BPHCLYMKSA-N 1 0 235.371 2.338 20 30 BEEDRO N#Cc1ccc(NCC2([NH3+])CCCCC2)nc1 ZINC000206169333 346609421 /nfs/dbraw/zinc/60/94/21/346609421.db2.gz JFGMSVOSGVWFRA-UHFFFAOYSA-N 1 0 230.315 2.027 20 30 BEEDRO COCCN(CCC#N)CC1(SC)CCC1 ZINC000589498193 346709329 /nfs/dbraw/zinc/70/93/29/346709329.db2.gz CUDFQYMLYYUAGH-UHFFFAOYSA-N 1 0 242.388 2.134 20 30 BEEDRO CC(C)[C@H](C#N)N1CC[NH+](CC2(C)CCC2)CC1 ZINC000590114120 346773882 /nfs/dbraw/zinc/77/38/82/346773882.db2.gz PKSDGMDCQHILDB-AWEZNQCLSA-N 1 0 249.402 2.342 20 30 BEEDRO CO[C@@H]1C[N@H+](C[C@H](C)CCC#N)CC[C@@H]1C ZINC000589822199 346739472 /nfs/dbraw/zinc/73/94/72/346739472.db2.gz KRAGXVKGGQYQLD-FRRDWIJNSA-N 1 0 224.348 2.283 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)[C@H]1CC[C@@H](C#N)C1 ZINC000590162742 346785324 /nfs/dbraw/zinc/78/53/24/346785324.db2.gz QVYLRESHKVKGAU-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC([C@H]3CCOC3)CC2)C1 ZINC000590173399 346787953 /nfs/dbraw/zinc/78/79/53/346787953.db2.gz HWBBFFFJPKHGLM-VHDGCEQUSA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC([C@@H]3CCOC3)CC2)C1 ZINC000590173397 346788124 /nfs/dbraw/zinc/78/81/24/346788124.db2.gz HWBBFFFJPKHGLM-BPLDGKMQSA-N 1 0 248.370 2.427 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000309597584 347114677 /nfs/dbraw/zinc/11/46/77/347114677.db2.gz IXLQICFHNCWNMD-LLVKDONJSA-N 1 0 237.372 2.296 20 30 BEEDRO C=C(CC)C[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000601279487 347141782 /nfs/dbraw/zinc/14/17/82/347141782.db2.gz YBORCRXJCUAPKJ-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc2n[nH]cc2c1 ZINC000309716716 347145113 /nfs/dbraw/zinc/14/51/13/347145113.db2.gz ZAYIZGYPXBUZQM-JTQLQIEISA-N 1 0 213.284 2.237 20 30 BEEDRO CC#CCC[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000309715192 347147362 /nfs/dbraw/zinc/14/73/62/347147362.db2.gz YMXRINKAMSBCDX-UHFFFAOYSA-N 1 0 219.332 2.210 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000601289605 347156106 /nfs/dbraw/zinc/15/61/06/347156106.db2.gz PVZLOAOZWKJKDM-YNEHKIRRSA-N 1 0 224.348 2.209 20 30 BEEDRO CCC1CCC([NH+]2CCN(CCC#N)CC2)CC1 ZINC000601315307 347196764 /nfs/dbraw/zinc/19/67/64/347196764.db2.gz XRQLMHYLZZIRTE-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO CCCC[C@@H](CC)[NH+]1CCN(CCC#N)CC1 ZINC000601315404 347196796 /nfs/dbraw/zinc/19/67/96/347196796.db2.gz JGXHGNQPDBEPIR-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH+]2CCN(CCC#N)CC2)C[C@H]1C ZINC000601316641 347198620 /nfs/dbraw/zinc/19/86/20/347198620.db2.gz OJRLYBNMXZEZFD-RBSFLKMASA-N 1 0 249.402 2.342 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](C(=O)NC)C(C)C ZINC000309938101 347203733 /nfs/dbraw/zinc/20/37/33/347203733.db2.gz ANPVTNOORPLJDA-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ncc(CC)s1 ZINC000309975081 347209347 /nfs/dbraw/zinc/20/93/47/347209347.db2.gz SCUBFSWTMFKZIQ-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309989908 347209944 /nfs/dbraw/zinc/20/99/44/347209944.db2.gz ZTXRQOADVPTXHY-TUAOUCFPSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000363920473 347183670 /nfs/dbraw/zinc/18/36/70/347183670.db2.gz JYIFBASLLCMYMJ-ZDUSSCGKSA-N 1 0 219.332 2.442 20 30 BEEDRO CC#CC[N@H+](C)CC1(O)CCCCCC1 ZINC000187342951 347252751 /nfs/dbraw/zinc/25/27/51/347252751.db2.gz NSSLDRHXXAEFLM-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C=CCCCN(C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000310110760 347232421 /nfs/dbraw/zinc/23/24/21/347232421.db2.gz FJOUQDSTCCYRBO-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO CC(C)(C#N)CCN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000119659864 347298820 /nfs/dbraw/zinc/29/88/20/347298820.db2.gz ZBPVBJAWNWDQQB-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000336762197 347270320 /nfs/dbraw/zinc/27/03/20/347270320.db2.gz NXKYFUHHNYAKQN-LBPRGKRZSA-N 1 0 202.301 2.454 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000300898540 347275197 /nfs/dbraw/zinc/27/51/97/347275197.db2.gz IOUHZFHXYDFFGF-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCC(NC(C)=O)CC1 ZINC000449484704 201939639 /nfs/dbraw/zinc/93/96/39/201939639.db2.gz IXRIQSYDNCSNMU-UHFFFAOYSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000120442852 347361660 /nfs/dbraw/zinc/36/16/60/347361660.db2.gz FTIFVBWMFTYGQZ-LBPRGKRZSA-N 1 0 246.354 2.202 20 30 BEEDRO CC(C)[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000335919260 347366329 /nfs/dbraw/zinc/36/63/29/347366329.db2.gz SVQLKETTYIAFJU-UHFFFAOYSA-N 1 0 229.327 2.347 20 30 BEEDRO Cc1cc(C[C@@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000193029463 347388419 /nfs/dbraw/zinc/38/84/19/347388419.db2.gz WGAJRCKXKADZPH-WXHSDQCUSA-N 1 0 246.358 2.321 20 30 BEEDRO Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000193029476 347388468 /nfs/dbraw/zinc/38/84/68/347388468.db2.gz WGAJRCKXKADZPH-DRZSPHRISA-N 1 0 246.358 2.321 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000364433787 347422636 /nfs/dbraw/zinc/42/26/36/347422636.db2.gz IMPIQTODNIHGAY-HNNXBMFYSA-N 1 0 242.322 2.158 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)CC)C1CC1 ZINC000121055871 347444763 /nfs/dbraw/zinc/44/47/63/347444763.db2.gz GFQCMRYMCLMWJT-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H](CO)CC2CC2)CC1 ZINC000590647064 347485419 /nfs/dbraw/zinc/48/54/19/347485419.db2.gz BWUAVGSFDFTQFR-ROKHWSDSSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCN(C)[C@@H](C(=O)OC)c1ccccc1 ZINC000265812762 166260180 /nfs/dbraw/zinc/26/01/80/166260180.db2.gz QIYIJDHLIXFCNC-CYBMUJFWSA-N 1 0 233.311 2.409 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000111258712 347472575 /nfs/dbraw/zinc/47/25/75/347472575.db2.gz RGFULLQRWMRSDW-NSHDSACASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000111258646 347473009 /nfs/dbraw/zinc/47/30/09/347473009.db2.gz POUBLMOUGLVTJM-UHFFFAOYSA-N 1 0 242.326 2.127 20 30 BEEDRO CC(C)(CO)[C@H]([NH2+]CCCC#N)c1cccnc1 ZINC000590600270 347480636 /nfs/dbraw/zinc/48/06/36/347480636.db2.gz INMGWQREXIRJQG-CYBMUJFWSA-N 1 0 247.342 2.035 20 30 BEEDRO Cc1ccc(C[N@H+](C)CCCSCC#N)nc1 ZINC000590754659 347505494 /nfs/dbraw/zinc/50/54/94/347505494.db2.gz MVESAMQWIYECRD-UHFFFAOYSA-N 1 0 249.383 2.469 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000590765007 347529917 /nfs/dbraw/zinc/52/99/17/347529917.db2.gz HCDYUDUEDVYZOX-NLRWUALESA-N 1 0 249.354 2.082 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)CC#N)C1 ZINC000590970450 347597255 /nfs/dbraw/zinc/59/72/55/347597255.db2.gz HACZAWQPMTUFTE-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccc(O)cc1 ZINC000590970604 347597547 /nfs/dbraw/zinc/59/75/47/347597547.db2.gz XGTIATUVXLNVAH-UHFFFAOYSA-N 1 0 218.300 2.422 20 30 BEEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CC1(C)C ZINC000591239077 347632526 /nfs/dbraw/zinc/63/25/26/347632526.db2.gz RYFMSUYPOUHZGF-KBPBESRZSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000577261258 365905949 /nfs/dbraw/zinc/90/59/49/365905949.db2.gz PHXIVNNMCOQFJB-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591013254 347606206 /nfs/dbraw/zinc/60/62/06/347606206.db2.gz OPEIRYYNMPJLLG-QWHCGFSZSA-N 1 0 232.331 2.212 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591055380 347612058 /nfs/dbraw/zinc/61/20/58/347612058.db2.gz ICABOCZAMFGFHE-TZMCWYRMSA-N 1 0 237.343 2.063 20 30 BEEDRO CC[NH2+]CCN[C@H]1CCCc2cc(C#N)ccc21 ZINC000591576860 347676868 /nfs/dbraw/zinc/67/68/68/347676868.db2.gz KQQMRUUKXVMIAZ-HNNXBMFYSA-N 1 0 243.354 2.135 20 30 BEEDRO C[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc(C#N)c1 ZINC000591578046 347677451 /nfs/dbraw/zinc/67/74/51/347677451.db2.gz PCMXXNNGAYLLQM-SWLSCSKDSA-N 1 0 243.354 2.351 20 30 BEEDRO C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)[C@H](C)[NH3+] ZINC000591579975 347677918 /nfs/dbraw/zinc/67/79/18/347677918.db2.gz COHBDLKBXJQWRR-RWSFTLGLSA-N 1 0 243.354 2.261 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000591641440 347682486 /nfs/dbraw/zinc/68/24/86/347682486.db2.gz FDASKFCASZGJMU-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000591641441 347682547 /nfs/dbraw/zinc/68/25/47/347682547.db2.gz FDASKFCASZGJMU-UMSGYPCISA-N 1 0 222.332 2.226 20 30 BEEDRO Cc1csc(CC[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000591724871 347688944 /nfs/dbraw/zinc/68/89/44/347688944.db2.gz LCCCEEAVGWYDCJ-NSHDSACASA-N 1 0 248.355 2.027 20 30 BEEDRO CC(C)(C[NH2+]CCC#N)[C@@H]1CCCCO1 ZINC000591753745 347690887 /nfs/dbraw/zinc/69/08/87/347690887.db2.gz IFTKZBBBDRVQHZ-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)(CO)[C@@H](C[NH2+]CCC#N)c1ccccc1 ZINC000591756863 347691403 /nfs/dbraw/zinc/69/14/03/347691403.db2.gz ULIOKRIQRCZLRZ-AWEZNQCLSA-N 1 0 246.354 2.292 20 30 BEEDRO COc1ccc2c(c1)CC[C@H]([NH2+]CCC#N)C2 ZINC000591759137 347692015 /nfs/dbraw/zinc/69/20/15/347692015.db2.gz HCWHINZUDHVHAB-ZDUSSCGKSA-N 1 0 230.311 2.056 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000591761315 347692744 /nfs/dbraw/zinc/69/27/44/347692744.db2.gz LWJJXPQASWQLHB-CEUNDQEZSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000591728977 347693465 /nfs/dbraw/zinc/69/34/65/347693465.db2.gz BBFQACONCJGIBJ-JSGCOSHPSA-N 1 0 239.322 2.359 20 30 BEEDRO N#CCC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000591740972 347694912 /nfs/dbraw/zinc/69/49/12/347694912.db2.gz FTLQMXWSOUVVFX-UHFFFAOYSA-N 1 0 247.298 2.421 20 30 BEEDRO CCC(C)(C)[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000590777741 347696546 /nfs/dbraw/zinc/69/65/46/347696546.db2.gz AWYHIONHNVKADC-GFCCVEGCSA-N 1 0 237.391 2.389 20 30 BEEDRO CC1(C)CC[C@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000591845653 347706503 /nfs/dbraw/zinc/70/65/03/347706503.db2.gz FDHGMAFAFWIZOU-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO N#CC1(c2nc([C@H]3CCC[NH2+]3)no2)CCCCC1 ZINC000592357958 347773515 /nfs/dbraw/zinc/77/35/15/347773515.db2.gz XUHYPVSSBXOZEW-SNVBAGLBSA-N 1 0 246.314 2.220 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)CO1 ZINC000592367019 347775385 /nfs/dbraw/zinc/77/53/85/347775385.db2.gz LIBVIJAGMXDOFD-WDBKCZKBSA-N 1 0 242.322 2.313 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000592393227 347776376 /nfs/dbraw/zinc/77/63/76/347776376.db2.gz XIGGXLDGCICSNH-LSDHHAIUSA-N 1 0 244.338 2.351 20 30 BEEDRO C[C@@H]1SCCN(Cc2ccncc2C#N)[C@H]1C ZINC000592069900 347727136 /nfs/dbraw/zinc/72/71/36/347727136.db2.gz YNDUXDOAXXNNDR-QWRGUYRKSA-N 1 0 247.367 2.279 20 30 BEEDRO CC[C@@H]1CN(Cc2ccncc2C#N)CCS1 ZINC000592070019 347727202 /nfs/dbraw/zinc/72/72/02/347727202.db2.gz BKOUYGOFHCGNNO-CYBMUJFWSA-N 1 0 247.367 2.281 20 30 BEEDRO CC1(C)CN(Cc2ccncc2C#N)CCS1 ZINC000592071039 347727416 /nfs/dbraw/zinc/72/74/16/347727416.db2.gz CPYQAFFQTUWVNM-UHFFFAOYSA-N 1 0 247.367 2.281 20 30 BEEDRO C[C@H]1SCCN(Cc2ccncc2C#N)[C@H]1C ZINC000592069901 347727567 /nfs/dbraw/zinc/72/75/67/347727567.db2.gz YNDUXDOAXXNNDR-WDEREUQCSA-N 1 0 247.367 2.279 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072492 347728013 /nfs/dbraw/zinc/72/80/13/347728013.db2.gz NDOARRFFXMFTGB-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000592088078 347731146 /nfs/dbraw/zinc/73/11/46/347731146.db2.gz UAUMNRXVNFCGOY-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccncc1C#N ZINC000592058582 347731751 /nfs/dbraw/zinc/73/17/51/347731751.db2.gz HLYUGRFMSWQAAF-LLVKDONJSA-N 1 0 217.316 2.430 20 30 BEEDRO C[C@H]1C[N@@H+](Cc2ccncc2C#N)CC[C@@H]1C ZINC000592090440 347731935 /nfs/dbraw/zinc/73/19/35/347731935.db2.gz SXWMMFZQCDUOTR-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000449517042 201949896 /nfs/dbraw/zinc/94/98/96/201949896.db2.gz DMJWMFSKXQXLHA-XQHKEYJVSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC1CCOCC1 ZINC000449516573 201949940 /nfs/dbraw/zinc/94/99/40/201949940.db2.gz BDAOAEIGROFONR-BNOWGMLFSA-N 1 0 239.359 2.125 20 30 BEEDRO N#Cc1cc(CSCC2CC[NH2+]CC2)ccn1 ZINC000592174910 347758453 /nfs/dbraw/zinc/75/84/53/347758453.db2.gz OWGJNLWNBBUZQY-UHFFFAOYSA-N 1 0 247.367 2.186 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCC#N)C1(CO)CC=CC1 ZINC000592178090 347759063 /nfs/dbraw/zinc/75/90/63/347759063.db2.gz VVMORBZDZOOESE-ZDUSSCGKSA-N 1 0 236.359 2.233 20 30 BEEDRO C[C@H]1CC2(C[N@@H+]1CCCC#N)CCOCC2 ZINC000592184408 347760163 /nfs/dbraw/zinc/76/01/63/347760163.db2.gz PMBGKYOKXBWWQQ-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC#N)CC2(CCCC2)O1 ZINC000592186154 347760880 /nfs/dbraw/zinc/76/08/80/347760880.db2.gz AIPHGGVENJDHHE-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO CCCN(Cc1ccc(C#N)o1)[C@H]1CC[N@H+](C)C1 ZINC000592519950 347794421 /nfs/dbraw/zinc/79/44/21/347794421.db2.gz BLEKEUFVUBDZRA-LBPRGKRZSA-N 1 0 247.342 2.067 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCSCC#N)[C@H](C)CO1 ZINC000593063385 347849129 /nfs/dbraw/zinc/84/91/29/347849129.db2.gz MGIDLZRQFMDKDQ-VXGBXAGGSA-N 1 0 242.388 2.133 20 30 BEEDRO N#Cc1csc(C[NH2+]C2(C3CCC3)CC2)n1 ZINC000593079084 347850855 /nfs/dbraw/zinc/85/08/55/347850855.db2.gz CYMXMZQJFAWITR-UHFFFAOYSA-N 1 0 233.340 2.437 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C1(C2CCC2)CC1 ZINC000593084495 347852423 /nfs/dbraw/zinc/85/24/23/347852423.db2.gz QBFWNTLWHWHOEH-LLVKDONJSA-N 1 0 217.316 2.352 20 30 BEEDRO Cc1ccc(C2=CC[NH2+]CC2)cc1CC#N ZINC000592989068 347837683 /nfs/dbraw/zinc/83/76/83/347837683.db2.gz QEXSBWDUPOWIPN-UHFFFAOYSA-N 1 0 212.296 2.438 20 30 BEEDRO CC(C)C[N@H+](C)CCCNc1cnccc1C#N ZINC000593480556 347896106 /nfs/dbraw/zinc/89/61/06/347896106.db2.gz RPAUXUGNEMWMRJ-UHFFFAOYSA-N 1 0 246.358 2.343 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC2(CO)CCC2)C1 ZINC000593692177 347928523 /nfs/dbraw/zinc/92/85/23/347928523.db2.gz QQWGSPXZXQBBHO-STQMWFEESA-N 1 0 236.359 2.211 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCC1(CO)CCC1 ZINC000593694114 347929293 /nfs/dbraw/zinc/92/92/93/347929293.db2.gz VUTOFAVEFXCEKB-UHFFFAOYSA-N 1 0 238.375 2.459 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)o1 ZINC000593697042 347930065 /nfs/dbraw/zinc/93/00/65/347930065.db2.gz JSQCPCXHBANJEV-NSHDSACASA-N 1 0 238.237 2.382 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([N@@H+](C)[C@H](C)C[S@@](C)=O)C1 ZINC000593614928 347915320 /nfs/dbraw/zinc/91/53/20/347915320.db2.gz IHYIKQWTMMVKGU-NFFDBFGFSA-N 1 0 243.416 2.430 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000593595592 347915487 /nfs/dbraw/zinc/91/54/87/347915487.db2.gz OWSVFWMHAKPKRA-ZFWWWQNUSA-N 1 0 247.386 2.309 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C(=O)OC)CC2)C1 ZINC000593616473 347916188 /nfs/dbraw/zinc/91/61/88/347916188.db2.gz LNOPLJSJRVGCQG-NEPJUHHUSA-N 1 0 237.343 2.274 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2([S@@](C)=O)CC2)C1 ZINC000593626324 347917934 /nfs/dbraw/zinc/91/79/34/347917934.db2.gz WLSDJHFCRRQSDT-BFQNTYOBSA-N 1 0 241.400 2.232 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](C2CC2)C2CCOCC2)C1 ZINC000593667081 347924603 /nfs/dbraw/zinc/92/46/03/347924603.db2.gz SSDBJOQFMXIJJW-BYCMXARLSA-N 1 0 248.370 2.473 20 30 BEEDRO CCC(C)(C)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000594020284 347991410 /nfs/dbraw/zinc/99/14/10/347991410.db2.gz GAGHYJUKBAKJDF-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000253092150 347993335 /nfs/dbraw/zinc/99/33/35/347993335.db2.gz KNUYGVUPKLHKPM-MGPQQGTHSA-N 1 0 248.370 2.306 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)[C@@H]1CCCCO1 ZINC000594040033 347994735 /nfs/dbraw/zinc/99/47/35/347994735.db2.gz CQKCONFEIFPZJI-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@H]([NH2+]CC1(C#N)CC1)[C@@H]1CCCCO1 ZINC000594041033 347994765 /nfs/dbraw/zinc/99/47/65/347994765.db2.gz IUEOMQOHFUSPEE-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCCO1 ZINC000594041034 347994846 /nfs/dbraw/zinc/99/48/46/347994846.db2.gz IUEOMQOHFUSPEE-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1cc(C[N@@H+](C[C@H](C)O)C2CC2)ccc1C#N ZINC000594061852 347996631 /nfs/dbraw/zinc/99/66/31/347996631.db2.gz CHRQWNLWUUAIAR-LBPRGKRZSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000449549342 201963035 /nfs/dbraw/zinc/96/30/35/201963035.db2.gz WZSBBBZYNDAXGQ-LPWJVIDDSA-N 1 0 209.333 2.498 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCSC1 ZINC000308643744 347983226 /nfs/dbraw/zinc/98/32/26/347983226.db2.gz GGWSALONMXFWQJ-WDEREUQCSA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@H](CO)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495834 348063194 /nfs/dbraw/zinc/06/31/94/348063194.db2.gz DBBHQAIWMUMZEX-LBPRGKRZSA-N 1 0 246.354 2.206 20 30 BEEDRO C[C@@H](O)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594497623 348063303 /nfs/dbraw/zinc/06/33/03/348063303.db2.gz IXBGOBGIPMKKSP-GFCCVEGCSA-N 1 0 246.354 2.348 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594508723 348064900 /nfs/dbraw/zinc/06/49/00/348064900.db2.gz VAIROEYPIQHWIH-UHFFFAOYSA-N 1 0 246.358 2.249 20 30 BEEDRO CC(C)(C)[NH2+]CCN1Cc2ccc(C#N)cc2C1 ZINC000594581045 348076441 /nfs/dbraw/zinc/07/64/41/348076441.db2.gz GGCZFAIVSJDELT-UHFFFAOYSA-N 1 0 243.354 2.262 20 30 BEEDRO CCCN(CCC)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424551 348051271 /nfs/dbraw/zinc/05/12/71/348051271.db2.gz FRFQKXMKSWSTRX-LBPRGKRZSA-N 1 0 239.363 2.046 20 30 BEEDRO Cc1cccc(NC(=O)[C@H]([NH3+])CCCCC#N)c1 ZINC000594425109 348051337 /nfs/dbraw/zinc/05/13/37/348051337.db2.gz JWPOUQLUDPZTJT-CYBMUJFWSA-N 1 0 245.326 2.345 20 30 BEEDRO CCC(C)(CC)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594448028 348056250 /nfs/dbraw/zinc/05/62/50/348056250.db2.gz YOMPDPPZFAFYOW-LLVKDONJSA-N 1 0 239.363 2.093 20 30 BEEDRO Cc1cc(C[NH3+])cc(NC(=O)CCCCC#N)c1 ZINC000594449612 348057638 /nfs/dbraw/zinc/05/76/38/348057638.db2.gz LPESHRVVCHPEOZ-UHFFFAOYSA-N 1 0 245.326 2.476 20 30 BEEDRO C[C@@H](CCO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594512281 348061020 /nfs/dbraw/zinc/06/10/20/348061020.db2.gz IYXKTSOUGHJFDY-LBPRGKRZSA-N 1 0 246.354 2.348 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493859 348062597 /nfs/dbraw/zinc/06/25/97/348062597.db2.gz TTZFKHSCUOIEPI-AWEZNQCLSA-N 1 0 246.354 2.348 20 30 BEEDRO CC[C@@H](C)CC[NH2+]C[C@H](C#N)CCC#N ZINC000594714010 348105036 /nfs/dbraw/zinc/10/50/36/348105036.db2.gz WDXJQNNXFIBTAV-NEPJUHHUSA-N 1 0 207.321 2.456 20 30 BEEDRO C[C@@]1(C[NH2+]C[C@@H](C#N)CCC#N)CC1(F)F ZINC000594724685 348108313 /nfs/dbraw/zinc/10/83/13/348108313.db2.gz FXYBNCIFWKSMTL-ZJUUUORDSA-N 1 0 227.258 2.065 20 30 BEEDRO C[C@@]1(CC[NH2+]C[C@H](C#N)CCC#N)CC1(F)F ZINC000594726499 348108540 /nfs/dbraw/zinc/10/85/40/348108540.db2.gz MBUPBMLWHCSMNF-WDEREUQCSA-N 1 0 241.285 2.455 20 30 BEEDRO CC(C)(C)[NH2+]CCNCC1(C#N)CCCCC1 ZINC000594740333 348110361 /nfs/dbraw/zinc/11/03/61/348110361.db2.gz WAZMXTNKIUXXKY-UHFFFAOYSA-N 1 0 237.391 2.438 20 30 BEEDRO C[NH+](C)CCSCCc1ccc(C#N)cc1 ZINC000594891961 348125736 /nfs/dbraw/zinc/12/57/36/348125736.db2.gz QHKRYUCFOMHQSI-UHFFFAOYSA-N 1 0 234.368 2.396 20 30 BEEDRO Cc1noc(CN(C)CC(C)(C)CCC#N)n1 ZINC000594614692 348083093 /nfs/dbraw/zinc/08/30/93/348083093.db2.gz JJICQVSCWSKCIZ-UHFFFAOYSA-N 1 0 236.319 2.140 20 30 BEEDRO COC[C@@H](C)C[N@@H+]1Cc2ccc(C#N)cc2C1 ZINC000594612155 348083223 /nfs/dbraw/zinc/08/32/23/348083223.db2.gz MAJFSVJIMILRCV-NSHDSACASA-N 1 0 230.311 2.156 20 30 BEEDRO CC[C@@H](CO)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929398 348139460 /nfs/dbraw/zinc/13/94/60/348139460.db2.gz VZBPFYDUJVGPKU-AWEZNQCLSA-N 1 0 244.338 2.102 20 30 BEEDRO COCCC[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929307 348139510 /nfs/dbraw/zinc/13/95/10/348139510.db2.gz VFIBVEXJSCIGCF-UHFFFAOYSA-N 1 0 244.338 2.368 20 30 BEEDRO CC[C@H](CO)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594929401 348139717 /nfs/dbraw/zinc/13/97/17/348139717.db2.gz VZBPFYDUJVGPKU-CQSZACIVSA-N 1 0 244.338 2.102 20 30 BEEDRO Cn1ncc(C2CC2)c1C[NH2+]CC1(CC#N)CC1 ZINC000594935345 348141300 /nfs/dbraw/zinc/14/13/00/348141300.db2.gz CXRBNLVZFXOIEO-UHFFFAOYSA-N 1 0 244.342 2.081 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000594942770 348143677 /nfs/dbraw/zinc/14/36/77/348143677.db2.gz LJPILZAHYVZKAD-UHFFFAOYSA-N 1 0 228.217 2.497 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594943687 348144416 /nfs/dbraw/zinc/14/44/16/348144416.db2.gz FSVGTVZWHLCXHP-UTUOFQBUSA-N 1 0 225.332 2.130 20 30 BEEDRO CC[C@@H](O)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594950579 348147373 /nfs/dbraw/zinc/14/73/73/348147373.db2.gz NOQKAFKNBZEREH-CQSZACIVSA-N 1 0 244.338 2.102 20 30 BEEDRO CCCn1nccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000594951591 348148021 /nfs/dbraw/zinc/14/80/21/348148021.db2.gz VXMOVEXNHWPNAK-NWDGAFQWSA-N 1 0 232.331 2.075 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@]23C[C@H]2CCC3)o1 ZINC000594953465 348148362 /nfs/dbraw/zinc/14/83/62/348148362.db2.gz TUQIERKWOKQCKT-BXKDBHETSA-N 1 0 202.257 2.183 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CO1 ZINC000594955404 348149175 /nfs/dbraw/zinc/14/91/75/348149175.db2.gz OBAMCPIKOOXGLK-HUUCEWRRSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CCCSCC[NH2+]Cc1conc1C ZINC000594960845 348150992 /nfs/dbraw/zinc/15/09/92/348150992.db2.gz XMTUKZUOOXXRBK-UHFFFAOYSA-N 1 0 226.345 2.382 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCO[C@H]1C ZINC000594960346 348151047 /nfs/dbraw/zinc/15/10/47/348151047.db2.gz OOIWYRZVXUYGBF-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO C[C@@H](CCO)[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594920764 348155001 /nfs/dbraw/zinc/15/50/01/348155001.db2.gz HJEDZVHXTJNDJH-LBPRGKRZSA-N 1 0 244.338 2.102 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CO[C@H](CC)C1 ZINC000594923458 348156448 /nfs/dbraw/zinc/15/64/48/348156448.db2.gz YGLGIZCVEPXWID-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CSCCF ZINC000595041454 348178275 /nfs/dbraw/zinc/17/82/75/348178275.db2.gz LQOMUJNMEGBQIG-AXFHLTTASA-N 1 0 233.352 2.011 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C1(CO)CC1 ZINC000594968431 348161239 /nfs/dbraw/zinc/16/12/39/348161239.db2.gz GQWBZFOQGCDNAY-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000594969366 348161332 /nfs/dbraw/zinc/16/13/32/348161332.db2.gz OQORRAYSQGSSRQ-HDJSIYSDSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000594968519 348161336 /nfs/dbraw/zinc/16/13/36/348161336.db2.gz QNNQHSRGHHKJFW-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO Cc1ccncc1CC[NH2+]Cc1ccc(C#N)o1 ZINC000594967301 348161468 /nfs/dbraw/zinc/16/14/68/348161468.db2.gz LKLSEFSAAXCOBV-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+]C/C=C/CO)cc1 ZINC000594974556 348162706 /nfs/dbraw/zinc/16/27/06/348162706.db2.gz LYAZBIQKAFQOLW-ONEGZZNKSA-N 1 0 244.338 2.126 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccc(C#N)c1 ZINC000594975035 348162715 /nfs/dbraw/zinc/16/27/15/348162715.db2.gz NCKUJVFRONFLIH-UHFFFAOYSA-N 1 0 230.311 2.241 20 30 BEEDRO C=CCC1([NH2+]Cc2ccc(C#N)o2)CCOCC1 ZINC000594975241 348162850 /nfs/dbraw/zinc/16/28/50/348162850.db2.gz NUPMZGANUGLAIN-UHFFFAOYSA-N 1 0 246.310 2.366 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccoc2)o1 ZINC000594978734 348163239 /nfs/dbraw/zinc/16/32/39/348163239.db2.gz BADWAHZEEDMPIA-UHFFFAOYSA-N 1 0 216.240 2.077 20 30 BEEDRO C[C@]1(C[NH2+]Cc2nc(C#N)cs2)CC1(F)F ZINC000594976333 348163645 /nfs/dbraw/zinc/16/36/45/348163645.db2.gz ABSKMNIEOOBOPJ-SECBINFHSA-N 1 0 243.282 2.150 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)cc1 ZINC000594983522 348164936 /nfs/dbraw/zinc/16/49/36/348164936.db2.gz OOHZMAMKLDEGBX-HNNXBMFYSA-N 1 0 244.338 2.056 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCCC2)CO1 ZINC000594982008 348165024 /nfs/dbraw/zinc/16/50/24/348165024.db2.gz WTPLFSZWAJFLGK-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCCCC[NH2+]C1CC(CF)(CF)C1 ZINC000595011708 348168514 /nfs/dbraw/zinc/16/85/14/348168514.db2.gz LGFHSTLUNBHPFR-UHFFFAOYSA-N 1 0 216.275 2.358 20 30 BEEDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(C#N)o1 ZINC000595001335 348169698 /nfs/dbraw/zinc/16/96/98/348169698.db2.gz SHTNBQUCDKFTJF-UHFFFAOYSA-N 1 0 249.358 2.361 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)C1CC1 ZINC000595290601 348213679 /nfs/dbraw/zinc/21/36/79/348213679.db2.gz MVFFOMBLYNBRIP-UHFFFAOYSA-N 1 0 200.285 2.195 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)C[C@@H]1CCCO1 ZINC000595298840 348217574 /nfs/dbraw/zinc/21/75/74/348217574.db2.gz TWWGMDJMNZKCAA-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO CO[C@H]1CCC[N@H+](CCc2ccc(C#N)cc2)C1 ZINC000595305984 348222368 /nfs/dbraw/zinc/22/23/68/348222368.db2.gz FLXUVYZSTFVBDH-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN([C@@H](C#N)c2ccccc2)C1 ZINC000595306506 348222671 /nfs/dbraw/zinc/22/26/71/348222671.db2.gz NPBUCKDBZLGRAR-CABCVRRESA-N 1 0 243.354 2.277 20 30 BEEDRO CC(C)[N@@H+](CCc1ccc(C#N)cc1)C[C@H](C)O ZINC000595310827 348223672 /nfs/dbraw/zinc/22/36/72/348223672.db2.gz FTVOQNJJLKHUIK-ZDUSSCGKSA-N 1 0 246.354 2.192 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CCCn2nccc21 ZINC000595050038 348180617 /nfs/dbraw/zinc/18/06/17/348180617.db2.gz FBFDWPXWXNUPDB-NSHDSACASA-N 1 0 232.331 2.247 20 30 BEEDRO COC1CC(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000595050215 348180751 /nfs/dbraw/zinc/18/07/51/348180751.db2.gz RIKGMSCVFZPDHC-CEUNDQEZSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CSCCF)[NH2+]CC1(CC#N)CC1 ZINC000595055373 348182690 /nfs/dbraw/zinc/18/26/90/348182690.db2.gz XNHTUUCZEVLFDY-SNVBAGLBSA-N 1 0 230.352 2.361 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCCOCC2)cc1 ZINC000595056727 348182951 /nfs/dbraw/zinc/18/29/51/348182951.db2.gz VEPRVRYKUPSVTI-OAHLLOKOSA-N 1 0 244.338 2.259 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)Cn1cccn1 ZINC000595057127 348183206 /nfs/dbraw/zinc/18/32/06/348183206.db2.gz AKMWAEJZQJOQEH-GFCCVEGCSA-N 1 0 239.388 2.171 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000595057329 348183224 /nfs/dbraw/zinc/18/32/24/348183224.db2.gz CGJVJJVXQKGPPI-NSHDSACASA-N 1 0 239.388 2.380 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000595057327 348183282 /nfs/dbraw/zinc/18/32/82/348183282.db2.gz CGJVJJVXQKGPPI-LLVKDONJSA-N 1 0 239.388 2.380 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000595058708 348184065 /nfs/dbraw/zinc/18/40/65/348184065.db2.gz JQUJJGGDLDQMQP-JTQLQIEISA-N 1 0 213.321 2.272 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CCCOCC1 ZINC000595060573 348184740 /nfs/dbraw/zinc/18/47/40/348184740.db2.gz VQOIBUBOBCVYAG-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000595059813 348184784 /nfs/dbraw/zinc/18/47/84/348184784.db2.gz PFEHXLHZRDDBHN-SNVBAGLBSA-N 1 0 225.361 2.370 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCO[C@@H]2CC2(F)F)C1 ZINC000595068274 348187200 /nfs/dbraw/zinc/18/72/00/348187200.db2.gz JDGSHAPOMVAAKG-GMTAPVOTSA-N 1 0 244.285 2.083 20 30 BEEDRO C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccc(C#N)cc1 ZINC000595068404 348187588 /nfs/dbraw/zinc/18/75/88/348187588.db2.gz OMQIHKMTDGDLMS-RYUDHWBXSA-N 1 0 244.338 2.370 20 30 BEEDRO CC(C)(C)OCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595076504 348189213 /nfs/dbraw/zinc/18/92/13/348189213.db2.gz KWABMWNEKOSVTG-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccoc2)C1 ZINC000595092418 348192898 /nfs/dbraw/zinc/19/28/98/348192898.db2.gz WWUVRRYIYSYAAX-NEPJUHHUSA-N 1 0 204.273 2.104 20 30 BEEDRO CO[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CCCC1 ZINC000595094922 348193780 /nfs/dbraw/zinc/19/37/80/348193780.db2.gz OKTKXNNFFYWUGK-IACUBPJLSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C#N)cc1 ZINC000595105742 348196474 /nfs/dbraw/zinc/19/64/74/348196474.db2.gz XSQFMNJBISIIMY-MGPQQGTHSA-N 1 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222.332 2.181 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@H](CO)C1CCC1 ZINC000595616983 348289932 /nfs/dbraw/zinc/28/99/32/348289932.db2.gz PVCRHPMAPJPKOC-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H](CO)C1CCC1 ZINC000595618031 348290123 /nfs/dbraw/zinc/29/01/23/348290123.db2.gz WGIKDHQMQVBBJJ-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)C1CCC1 ZINC000595618599 348290512 /nfs/dbraw/zinc/29/05/12/348290512.db2.gz YNYFDMGSKNTXCF-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CC[N@@H+](CCCCC#N)[C@@H](C)COC ZINC000595647905 348296205 /nfs/dbraw/zinc/29/62/05/348296205.db2.gz SAIBXCUNVOBPMW-LBPRGKRZSA-N 1 0 210.321 2.203 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(OC)ccc1F ZINC000339296853 259401668 /nfs/dbraw/zinc/40/16/68/259401668.db2.gz CAJNKVRBNATJHZ-VIFPVBQESA-N 1 0 209.264 2.498 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)OCC)C1 ZINC000595661285 348300500 /nfs/dbraw/zinc/30/05/00/348300500.db2.gz YAFSPYHOWMPXQH-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@H]1CCO ZINC000595694754 348305494 /nfs/dbraw/zinc/30/54/94/348305494.db2.gz FNQFZXOZHHSKSF-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000595679429 348311070 /nfs/dbraw/zinc/31/10/70/348311070.db2.gz WDCAUJQGNWWQET-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO COC[C@@H]([NH2+]CCCC#N)c1cccc(OC)c1 ZINC000595685637 348313030 /nfs/dbraw/zinc/31/30/30/348313030.db2.gz XYRYMTSTEJNQDD-CQSZACIVSA-N 1 0 248.326 2.276 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595730564 348317541 /nfs/dbraw/zinc/31/75/41/348317541.db2.gz CDXRNLDMJAUAGH-AGIUHOORSA-N 1 0 237.343 2.226 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595730565 348317571 /nfs/dbraw/zinc/31/75/71/348317571.db2.gz CDXRNLDMJAUAGH-AVGNSLFASA-N 1 0 237.343 2.226 20 30 BEEDRO C[C@H]1C[NH+](CCCC(C)(C)C#N)C[C@H](C)C1O ZINC000595742881 348319569 /nfs/dbraw/zinc/31/95/69/348319569.db2.gz KRXXOEGGAVZIOG-RYUDHWBXSA-N 1 0 238.375 2.265 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756503 348330003 /nfs/dbraw/zinc/33/00/03/348330003.db2.gz HUSXPCIWDMSRMA-TUKIKUTGSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000595756802 348331020 /nfs/dbraw/zinc/33/10/20/348331020.db2.gz XCPPQPBVFJGWCM-LSDHHAIUSA-N 1 0 242.322 2.027 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595759475 348332183 /nfs/dbraw/zinc/33/21/83/348332183.db2.gz URMIMLXBMXZRBG-BYCMXARLSA-N 1 0 242.322 2.076 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccncc1C#N)C1CC1 ZINC000595765890 348334129 /nfs/dbraw/zinc/33/41/29/348334129.db2.gz LBBPXWJEUNQETA-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000595767146 348335006 /nfs/dbraw/zinc/33/50/06/348335006.db2.gz VEBXHMWERRPNFO-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595832808 348366501 /nfs/dbraw/zinc/36/65/01/348366501.db2.gz QPBYEDAXMOXGQT-OLZOCXBDSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CCCCCn2cccn2)C1 ZINC000595839993 348373316 /nfs/dbraw/zinc/37/33/16/348373316.db2.gz NIMGETCSFZUXRJ-CQSZACIVSA-N 1 0 246.358 2.289 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000595840803 348375400 /nfs/dbraw/zinc/37/54/00/348375400.db2.gz FQVIJWDSBMARSG-STQMWFEESA-N 1 0 222.332 2.039 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)OCC ZINC000595841139 348376268 /nfs/dbraw/zinc/37/62/68/348376268.db2.gz IIBIOJRHYHBXOK-TXEJJXNPSA-N 1 0 223.316 2.123 20 30 BEEDRO COC1(CC[N@@H+]2CC[C@@](C)(C#N)C2)CCC1 ZINC000595841916 348377098 /nfs/dbraw/zinc/37/70/98/348377098.db2.gz PLMLWTGCIUBYKL-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595842236 348378142 /nfs/dbraw/zinc/37/81/42/348378142.db2.gz QHMFGXXBCBNODP-STQMWFEESA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@]1(C#N)CCN(CCC[NH+]2CCCCC2)C1 ZINC000595843575 348381127 /nfs/dbraw/zinc/38/11/27/348381127.db2.gz LIYJYLDLPKZEHJ-CQSZACIVSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CC[C@@](C)(C#N)C2)CCO1 ZINC000595844787 348354090 /nfs/dbraw/zinc/35/40/90/348354090.db2.gz VRAKEJMREODBSQ-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1(C#N)CC1 ZINC000595845505 348355072 /nfs/dbraw/zinc/35/50/72/348355072.db2.gz PCAHJSTUMKDTSJ-TXEJJXNPSA-N 1 0 202.301 2.473 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)NCc1ccc(C#N)cc1 ZINC000353159539 187395708 /nfs/dbraw/zinc/39/57/08/187395708.db2.gz ZETGSZGMFHKPCO-CYBMUJFWSA-N 1 0 245.370 2.377 20 30 BEEDRO CCN(C[C@@H](O)CCC(C)C)[C@@H](C)C#N ZINC000595820093 348360953 /nfs/dbraw/zinc/36/09/53/348360953.db2.gz JEQKGKKDMKRMFC-RYUDHWBXSA-N 1 0 212.337 2.017 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)s1 ZINC000595827831 348364148 /nfs/dbraw/zinc/36/41/48/348364148.db2.gz SHMSYXHJPOFXAZ-QWRGUYRKSA-N 1 0 248.351 2.088 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC3(COC3)C2)ccc1C#N ZINC000595832032 348365664 /nfs/dbraw/zinc/36/56/64/348365664.db2.gz AYKOPWRUEZDBKA-UHFFFAOYSA-N 1 0 242.322 2.089 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)c(C)c1 ZINC000303550450 490166104 /nfs/dbraw/zinc/16/61/04/490166104.db2.gz JMAXVQWOZDRVET-UHFFFAOYSA-N 1 0 223.291 2.426 20 30 BEEDRO CC#CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000266037235 187397474 /nfs/dbraw/zinc/39/74/74/187397474.db2.gz UBWJFSKNVNTYOM-MRXNPFEDSA-N 1 0 243.350 2.382 20 30 BEEDRO C=C1CC[NH+](CCc2ccncc2)CC1 ZINC000264519136 187397578 /nfs/dbraw/zinc/39/75/78/187397578.db2.gz ZQJCMVHMGFCTSB-UHFFFAOYSA-N 1 0 202.301 2.276 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC)c(C)c1 ZINC000264135123 187397984 /nfs/dbraw/zinc/39/79/84/187397984.db2.gz XIOXTKVBGPFTQI-UHFFFAOYSA-N 1 0 203.285 2.069 20 30 BEEDRO C[C@@]1(C#N)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000595905548 348396042 /nfs/dbraw/zinc/39/60/42/348396042.db2.gz VECKYOQTSSTSGE-AWEZNQCLSA-N 1 0 235.375 2.002 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCCCC1 ZINC000096034292 166299242 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349002597 /nfs/dbraw/zinc/00/25/97/349002597.db2.gz BYRJXQKMXYTVMW-GHMZBOCLSA-N 1 0 226.364 2.311 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598586224 348995127 /nfs/dbraw/zinc/99/51/27/348995127.db2.gz FGVZWIOBHKAANW-JHJVBQTASA-N 1 0 238.375 2.265 20 30 BEEDRO CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1CC1 ZINC000598583845 348995156 /nfs/dbraw/zinc/99/51/56/348995156.db2.gz FKFBNSCLSRCHLH-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)CC(C)(C)C#N ZINC000598586126 348995296 /nfs/dbraw/zinc/99/52/96/348995296.db2.gz CZWVILWTOINCNF-LBPRGKRZSA-N 1 0 224.348 2.185 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598588436 348995768 /nfs/dbraw/zinc/99/57/68/348995768.db2.gz LZNIJSRLAZGTDR-NEPJUHHUSA-N 1 0 226.364 2.265 20 30 BEEDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CC(C)(C)C#N ZINC000598586514 348995826 /nfs/dbraw/zinc/99/58/26/348995826.db2.gz HOUVAKZTVNTIGD-CQSZACIVSA-N 1 0 246.354 2.419 20 30 BEEDRO C[N@@H+](Cc1ccoc1)C[C@@H](O)CC(C)(C)C#N 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BCGNNOUQPCWYLI-AGIUHOORSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1C#N ZINC000599384670 349164763 /nfs/dbraw/zinc/16/47/63/349164763.db2.gz BWSJSNQOJRVLPH-AWEZNQCLSA-N 1 0 246.354 2.363 20 30 BEEDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)cc1C#N ZINC000599416645 349166912 /nfs/dbraw/zinc/16/69/12/349166912.db2.gz VSGQLXBIHBFQLR-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccncc1Cl ZINC000421843973 192393165 /nfs/dbraw/zinc/39/31/65/192393165.db2.gz SCOONROEFRQDLA-NXEZZACHSA-N 1 0 240.734 2.323 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1C#N ZINC000599435052 349175267 /nfs/dbraw/zinc/17/52/67/349175267.db2.gz PUPDYVAHQDBSAX-CQSZACIVSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599530446 349209509 /nfs/dbraw/zinc/20/95/09/349209509.db2.gz XKBZSWSLMQCSAY-STQMWFEESA-N 1 0 236.359 2.185 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000599530444 349209739 /nfs/dbraw/zinc/20/97/39/349209739.db2.gz XKBZSWSLMQCSAY-OLZOCXBDSA-N 1 0 236.359 2.185 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)C1 ZINC000599537054 349212822 /nfs/dbraw/zinc/21/28/22/349212822.db2.gz XVOFRGQIHHMZFD-GXFFZTMASA-N 1 0 228.295 2.400 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1F)CC1(C)COC1 ZINC000599571292 349223748 /nfs/dbraw/zinc/22/37/48/349223748.db2.gz BDWQUXPYMWPKIX-UHFFFAOYSA-N 1 0 248.301 2.166 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCCCC#N ZINC000599627568 349231191 /nfs/dbraw/zinc/23/11/91/349231191.db2.gz XMUUTOSLJWWBTQ-NNYUYHANSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@@H]21 ZINC000599649580 349233649 /nfs/dbraw/zinc/23/36/49/349233649.db2.gz BOWANMZSOWBICC-AGIUHOORSA-N 1 0 237.343 2.226 20 30 BEEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)C1CCCC1 ZINC000610813944 538035718 /nfs/dbraw/zinc/03/57/18/538035718.db2.gz WLRVFZIXIQHEKY-GFCCVEGCSA-N 1 0 235.375 2.143 20 30 BEEDRO CCO[C@H](C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000599469923 349194182 /nfs/dbraw/zinc/19/41/82/349194182.db2.gz MUWREDCHIMJNCC-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000252741341 349206176 /nfs/dbraw/zinc/20/61/76/349206176.db2.gz KYTLUKAUUDWWSN-CLLJXQQHSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000599526091 349207702 /nfs/dbraw/zinc/20/77/02/349207702.db2.gz DNEVBTXXWHTBCH-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)CCC(C)(C)C#N ZINC000599672258 349240637 /nfs/dbraw/zinc/24/06/37/349240637.db2.gz BTLASAJENHKMPY-UHFFFAOYSA-N 1 0 226.364 2.409 20 30 BEEDRO CC1(C)C[N@H+](C[C@@H](O)CC2(C#N)CC2)[C@H]1C1CC1 ZINC000601958921 349400724 /nfs/dbraw/zinc/40/07/24/349400724.db2.gz PDZMQBDNKARZFL-STQMWFEESA-N 1 0 248.370 2.162 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCCC12CC2 ZINC000601968576 349405209 /nfs/dbraw/zinc/40/52/09/349405209.db2.gz OTVHDLVFGKWFNS-NEPJUHHUSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCC12CC2 ZINC000601968577 349405550 /nfs/dbraw/zinc/40/55/50/349405550.db2.gz OTVHDLVFGKWFNS-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CCC[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000601969137 349406013 /nfs/dbraw/zinc/40/60/13/349406013.db2.gz OXZVQWCSAHIRSA-LBPRGKRZSA-N 1 0 222.332 2.229 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000185754945 349367032 /nfs/dbraw/zinc/36/70/32/349367032.db2.gz OPKIHXVDBQBLTQ-DGCLKSJQSA-N 1 0 215.300 2.254 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185820757 349371715 /nfs/dbraw/zinc/37/17/15/349371715.db2.gz BIXQWLZNDXJRGC-NWDGAFQWSA-N 1 0 205.305 2.352 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCCC12CC2 ZINC000601934350 349388129 /nfs/dbraw/zinc/38/81/29/349388129.db2.gz LSECJGYEMWCQHK-NEPJUHHUSA-N 1 0 217.316 2.352 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCCC12CC2 ZINC000601934358 349388199 /nfs/dbraw/zinc/38/81/99/349388199.db2.gz LSECJGYEMWCQHK-NWDGAFQWSA-N 1 0 217.316 2.352 20 30 BEEDRO N#CCCCC[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000601977716 349413341 /nfs/dbraw/zinc/41/33/41/349413341.db2.gz VZULEXUBJZMWKJ-JTQLQIEISA-N 1 0 232.274 2.036 20 30 BEEDRO C[C@]1([NH2+]Cc2cccc(F)c2C#N)CCCOC1 ZINC000602014129 349416321 /nfs/dbraw/zinc/41/63/21/349416321.db2.gz BOOGYCUMERLPHC-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc2nccnc2c1 ZINC000602014843 349416982 /nfs/dbraw/zinc/41/69/82/349416982.db2.gz HYDCJPYODZMVIA-UHFFFAOYSA-N 1 0 226.283 2.023 20 30 BEEDRO N#Cc1cccc(C[NH2+]Cc2cncc(F)c2)c1 ZINC000230938663 350072336 /nfs/dbraw/zinc/07/23/36/350072336.db2.gz GBWGAQTVDQBLGU-UHFFFAOYSA-N 1 0 241.269 2.382 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000302484963 350089454 /nfs/dbraw/zinc/08/94/54/350089454.db2.gz ZBTICMDRGFWKSK-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1nc(NCC(C)(C)[NH+](C)C)ccc1C#N ZINC000291752151 180015833 /nfs/dbraw/zinc/01/58/33/180015833.db2.gz ZXJPURSRTICRAC-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO Cc1nc(NCCC[N@@H+](C)C(C)C)ccc1C#N ZINC000291604430 180018000 /nfs/dbraw/zinc/01/80/00/180018000.db2.gz IXHDGHWLXACUPR-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000402259431 350096858 /nfs/dbraw/zinc/09/68/58/350096858.db2.gz BNMCBUCRIVECGH-FZMZJTMJSA-N 1 0 230.311 2.020 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](CC)c1nccn1C ZINC000132259540 191028723 /nfs/dbraw/zinc/02/87/23/191028723.db2.gz JNACKPISEKQKCO-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CCCCC#N)C1(C)C ZINC000132728393 191035426 /nfs/dbraw/zinc/03/54/26/191035426.db2.gz GATFQWMKNWKGNA-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCc1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000449613686 201987097 /nfs/dbraw/zinc/98/70/97/201987097.db2.gz SPNWIMKIOWGLET-WDEREUQCSA-N 1 0 233.315 2.409 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)c1cnc(C)cn1 ZINC000428491842 191081217 /nfs/dbraw/zinc/08/12/17/191081217.db2.gz ALSXBJMVCYUXLZ-NSHDSACASA-N 1 0 205.305 2.354 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000428491841 191081283 /nfs/dbraw/zinc/08/12/83/191081283.db2.gz ALSXBJMVCYUXLZ-LLVKDONJSA-N 1 0 205.305 2.354 20 30 BEEDRO C=CCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429047020 191091100 /nfs/dbraw/zinc/09/11/00/191091100.db2.gz YDVGYOHNXXJEEH-ZDUSSCGKSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccnn1CC ZINC000426572007 191097795 /nfs/dbraw/zinc/09/77/95/191097795.db2.gz XSIYXLWKPCMHNG-GFCCVEGCSA-N 1 0 219.332 2.444 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCCC[C@@H]1O ZINC000328203534 350393171 /nfs/dbraw/zinc/39/31/71/350393171.db2.gz SSFLCCJMLRWKNI-AGIUHOORSA-N 1 0 224.348 2.019 20 30 BEEDRO CCc1cc(C[NH2+][C@H]2CCC[C@H](C#N)C2)on1 ZINC000618569111 350403350 /nfs/dbraw/zinc/40/33/50/350403350.db2.gz JBESGNZOOAOVOQ-JQWIXIFHSA-N 1 0 233.315 2.409 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000563975544 323337593 /nfs/dbraw/zinc/33/75/93/323337593.db2.gz IJHNHNYXUXZUJW-QWHCGFSZSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000384651030 350436172 /nfs/dbraw/zinc/43/61/72/350436172.db2.gz UOJJCIYPOZGAAT-GMTAPVOTSA-N 1 0 215.362 2.061 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](CCCSCC#N)C1 ZINC000336675843 350437582 /nfs/dbraw/zinc/43/75/82/350437582.db2.gz VXEYSGXJNBUCHN-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO CC1(C#N)CC[NH+](CC2(CC#N)CC2)CC1 ZINC000226318755 350418342 /nfs/dbraw/zinc/41/83/42/350418342.db2.gz SEIKAEIZMIXVCL-UHFFFAOYSA-N 1 0 217.316 2.306 20 30 BEEDRO C[C@@H]1[N@H+](CCCSCC#N)CCOC1(C)C ZINC000336659832 350422963 /nfs/dbraw/zinc/42/29/63/350422963.db2.gz APEBTEYVEPCPLW-NSHDSACASA-N 1 0 242.388 2.133 20 30 BEEDRO C[C@H]1[N@H+](CCCSCC#N)CCOC1(C)C ZINC000336659819 350422984 /nfs/dbraw/zinc/42/29/84/350422984.db2.gz APEBTEYVEPCPLW-LLVKDONJSA-N 1 0 242.388 2.133 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCSCC#N)[C@H](C)C1 ZINC000336668553 350424627 /nfs/dbraw/zinc/42/46/27/350424627.db2.gz PDPFKXVSFCAQFC-VXGBXAGGSA-N 1 0 242.388 2.133 20 30 BEEDRO CC(C)[C@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000336666871 350428060 /nfs/dbraw/zinc/42/80/60/350428060.db2.gz MOMAHJUDRGZIBD-GFCCVEGCSA-N 1 0 226.364 2.265 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CCCC#N)C[C@H]1C ZINC000336669131 350432918 /nfs/dbraw/zinc/43/29/18/350432918.db2.gz HVLJENHNCWLYBG-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336687982 350444179 /nfs/dbraw/zinc/44/41/79/350444179.db2.gz YCBLZLKKOFBJGD-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[C@H]1CCCOC1)C1CC1 ZINC000336698176 350452573 /nfs/dbraw/zinc/45/25/73/350452573.db2.gz IGBCPFJRTAZVST-NWDGAFQWSA-N 1 0 222.332 2.037 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000336703701 350454902 /nfs/dbraw/zinc/45/49/02/350454902.db2.gz MGIGGFDNKJHEAF-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336703664 350455007 /nfs/dbraw/zinc/45/50/07/350455007.db2.gz MGIGGFDNKJHEAF-KBPBESRZSA-N 1 0 221.344 2.148 20 30 BEEDRO C[C@@H](O)CCCN(CCC#N)Cc1ccco1 ZINC000336726379 350482972 /nfs/dbraw/zinc/48/29/72/350482972.db2.gz VLYYKJULTJCOFG-GFCCVEGCSA-N 1 0 236.315 2.156 20 30 BEEDRO C[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccccc1C#N ZINC000054603312 1172129818 /nfs/dbraw/zinc/12/98/18/1172129818.db2.gz FOLJUXWEJJYXSJ-AGUYFDCRSA-N 1 0 241.338 2.277 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000163183149 350512305 /nfs/dbraw/zinc/51/23/05/350512305.db2.gz NQKCDVMMBHUJCO-MJBXVCDLSA-N 1 0 221.344 2.025 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cncn1C(C)C ZINC000163579854 350530003 /nfs/dbraw/zinc/53/00/03/350530003.db2.gz QYVQXUWSVDCDOM-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO N#CCCC1CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000577488224 365967198 /nfs/dbraw/zinc/96/71/98/365967198.db2.gz SKNYBBAAEMERKP-UHFFFAOYSA-N 1 0 244.342 2.010 20 30 BEEDRO Cc1cc(C[NH2+]CCC2CC(O)C2)ccc1C#N ZINC000443988344 191111171 /nfs/dbraw/zinc/11/11/71/191111171.db2.gz MQMWNYVVBFJQMG-UHFFFAOYSA-N 1 0 244.338 2.117 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)COC(C)C ZINC000336646350 350559592 /nfs/dbraw/zinc/55/95/92/350559592.db2.gz CPQDIHOZGJZLKV-LLVKDONJSA-N 1 0 217.378 2.309 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C ZINC000320219873 350600410 /nfs/dbraw/zinc/60/04/10/350600410.db2.gz GUGLXXLSVIBDMQ-WUHRBBMRSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000291711682 350617798 /nfs/dbraw/zinc/61/77/98/350617798.db2.gz ZXNUZDUAARVHFV-UPJWGTAASA-N 1 0 209.333 2.115 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000291711679 350618155 /nfs/dbraw/zinc/61/81/55/350618155.db2.gz ZXNUZDUAARVHFV-JHJVBQTASA-N 1 0 209.333 2.115 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C1CCN(C)CC1 ZINC000336656713 350615438 /nfs/dbraw/zinc/61/54/38/350615438.db2.gz LVYUUKDHIBYPML-UHFFFAOYSA-N 1 0 210.365 2.273 20 30 BEEDRO CC[C@@H]1CN(Cc2cccc(C#N)c2)CC[C@@H]1[NH3+] ZINC000122329338 362975810 /nfs/dbraw/zinc/97/58/10/362975810.db2.gz PQEHUDYAUASPFW-CABCVRRESA-N 1 0 243.354 2.117 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(O)CCC1)C1CC1 ZINC000125329466 350732477 /nfs/dbraw/zinc/73/24/77/350732477.db2.gz MOVYLOYZULTXOB-LBPRGKRZSA-N 1 0 209.333 2.236 20 30 BEEDRO CC(C)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000034674594 350741255 /nfs/dbraw/zinc/74/12/55/350741255.db2.gz QPNHXYMQSAZYAS-AWEZNQCLSA-N 1 0 232.327 2.179 20 30 BEEDRO CC#CC[N@H+](C)CCc1cccc(F)c1F ZINC000339757043 350817622 /nfs/dbraw/zinc/81/76/22/350817622.db2.gz FYMJUKNFYONBGQ-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CCCO1 ZINC000309553813 350775611 /nfs/dbraw/zinc/77/56/11/350775611.db2.gz JBKKIYPHSKSBBV-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000628312147 350812721 /nfs/dbraw/zinc/81/27/21/350812721.db2.gz QKHZIIGJZHZUIN-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](C)Cc1cccs1 ZINC000172838521 191124078 /nfs/dbraw/zinc/12/40/78/191124078.db2.gz AFXXDNZSXGTTGL-SNVBAGLBSA-N 1 0 237.372 2.017 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000628314689 350836973 /nfs/dbraw/zinc/83/69/73/350836973.db2.gz JHCUSIMWEOVPOA-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO N#CCC1(CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000382508284 350852469 /nfs/dbraw/zinc/85/24/69/350852469.db2.gz WOQYZTLTROEPFS-AWEZNQCLSA-N 1 0 247.386 2.240 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)OC)C(C)(C)C ZINC000382507325 350852740 /nfs/dbraw/zinc/85/27/40/350852740.db2.gz YPMCXGURWSMGAH-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]CCCC(C)(C)C#N ZINC000336682636 350907527 /nfs/dbraw/zinc/90/75/27/350907527.db2.gz RZYKRFCBIBRGLU-ZDUSSCGKSA-N 1 0 226.364 2.313 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000397569036 350919782 /nfs/dbraw/zinc/91/97/82/350919782.db2.gz BFJYYEFEYIOZOQ-GFCCVEGCSA-N 1 0 217.316 2.306 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)C1 ZINC000397572403 350920724 /nfs/dbraw/zinc/92/07/24/350920724.db2.gz CIOOIQGHEDAEJT-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CC2CCOCC2)C1 ZINC000397587251 350930870 /nfs/dbraw/zinc/93/08/70/350930870.db2.gz HMXIVDCZISKZFZ-GFCCVEGCSA-N 1 0 222.332 2.039 20 30 BEEDRO C#CCC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292357775 350933520 /nfs/dbraw/zinc/93/35/20/350933520.db2.gz HYTKJEAABVVVKG-MFKMUULPSA-N 1 0 235.352 2.363 20 30 BEEDRO C[NH2+]CCSCc1ccc(C#N)cc1F ZINC000382648898 350937266 /nfs/dbraw/zinc/93/72/66/350937266.db2.gz QHRWZCCBFIGPOZ-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO CCSCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397669935 350959489 /nfs/dbraw/zinc/95/94/89/350959489.db2.gz HQXOHNHBUHCQJZ-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO CC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000222492527 350975472 /nfs/dbraw/zinc/97/54/72/350975472.db2.gz WGUPKDBJXSRAII-UHFFFAOYSA-N 1 0 229.327 2.137 20 30 BEEDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCCC#N ZINC000086110519 350945914 /nfs/dbraw/zinc/94/59/14/350945914.db2.gz ZGJZAMQBWHICCN-MRVPVSSYSA-N 1 0 207.277 2.246 20 30 BEEDRO CC(C)(C)OCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397614760 350952673 /nfs/dbraw/zinc/95/26/73/350952673.db2.gz JIDQVCGTZHVBQY-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnc2cccc(C)n12 ZINC000336699711 351042857 /nfs/dbraw/zinc/04/28/57/351042857.db2.gz ZXSLBTHTWQCZMR-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO CC(C)OCCC[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000382807524 351054449 /nfs/dbraw/zinc/05/44/49/351054449.db2.gz ZIVDPBNICFPEAA-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000336694262 351015135 /nfs/dbraw/zinc/01/51/35/351015135.db2.gz XYGNLKCQQWQMBB-IJLUTSLNSA-N 1 0 243.416 2.433 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)C(=O)NCCCC)CC1 ZINC000111256973 191130287 /nfs/dbraw/zinc/13/02/87/191130287.db2.gz WVXSFNGAVSPQBH-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C(=O)OC)co2)CC1 ZINC000111257917 191130296 /nfs/dbraw/zinc/13/02/96/191130296.db2.gz LNQXHYRLPRMVOW-UHFFFAOYSA-N 1 0 249.310 2.464 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000111257602 191130318 /nfs/dbraw/zinc/13/03/18/191130318.db2.gz IRYVRWRLDRHQPE-MRXNPFEDSA-N 1 0 245.366 2.488 20 30 BEEDRO CC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCOCC1 ZINC000336624436 535158390 /nfs/dbraw/zinc/15/83/90/535158390.db2.gz URPDMZDPMVALJO-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000336704471 351069481 /nfs/dbraw/zinc/06/94/81/351069481.db2.gz QTIVDOOMWUGWGH-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000119042691 358459724 /nfs/dbraw/zinc/45/97/24/358459724.db2.gz FBEUTTMRMRBBII-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000111257174 191130119 /nfs/dbraw/zinc/13/01/19/191130119.db2.gz OWYBHZCOKKJREB-UHFFFAOYSA-N 1 0 244.338 2.184 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000230407321 351191986 /nfs/dbraw/zinc/19/19/86/351191986.db2.gz XUMLQYHZVMKZNK-VXGBXAGGSA-N 1 0 231.343 2.423 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC000623584311 363018276 /nfs/dbraw/zinc/01/82/76/363018276.db2.gz ZVSIPQKGEJXKSK-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@]1(C)CCCS1 ZINC000628339775 351284031 /nfs/dbraw/zinc/28/40/31/351284031.db2.gz WHHDNZXWAQUVJN-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CC[NH+](CC=C)CCc1ccnn1CC ZINC000276359773 166334302 /nfs/dbraw/zinc/33/43/02/166334302.db2.gz YIFMLCAPWRTXKV-UHFFFAOYSA-N 1 0 219.332 2.120 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353402145 351395108 /nfs/dbraw/zinc/39/51/08/351395108.db2.gz JUTNLMUVXXMDOD-NWDGAFQWSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000168203122 351340792 /nfs/dbraw/zinc/34/07/92/351340792.db2.gz QMRBFQYGTHGZKY-HTQZYQBOSA-N 1 0 236.178 2.379 20 30 BEEDRO C#CCOc1ccccc1CN(C)C[C@H](C)C#N ZINC000271137061 351403992 /nfs/dbraw/zinc/40/39/92/351403992.db2.gz SJTCHZZKTXXUBD-CYBMUJFWSA-N 1 0 242.322 2.290 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000386702631 363030635 /nfs/dbraw/zinc/03/06/35/363030635.db2.gz NJKQQLGBURRTAS-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000231933579 351471656 /nfs/dbraw/zinc/47/16/56/351471656.db2.gz HBVDTNBIXOEUHM-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO N#Cc1c(F)cccc1OCC[C@H]1CC[NH2+]C1 ZINC000122547040 363045351 /nfs/dbraw/zinc/04/53/51/363045351.db2.gz SBRQIFBPYQIOEI-SNVBAGLBSA-N 1 0 234.274 2.076 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)cc2F)CCCO1 ZINC000094801636 363047288 /nfs/dbraw/zinc/04/72/88/363047288.db2.gz FFIIRRYCFVJTMB-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO CN(C(=[NH2+])NCc1cccc(Cl)c1)C1CC1 ZINC000273386546 351526161 /nfs/dbraw/zinc/52/61/61/351526161.db2.gz YXRGHTMLTIDPCF-UHFFFAOYSA-N 1 0 237.734 2.249 20 30 BEEDRO C=CCSCC[NH2+]Cc1cc(C)ns1 ZINC000404492899 363062804 /nfs/dbraw/zinc/06/28/04/363062804.db2.gz WXTOXVQZUISINL-UHFFFAOYSA-N 1 0 228.386 2.460 20 30 BEEDRO C=CCCCCNC(=[NH2+])NCCC(C)C ZINC000274416633 351568215 /nfs/dbraw/zinc/56/82/15/351568215.db2.gz IBFKDOYDJJMGJH-UHFFFAOYSA-N 1 0 211.353 2.293 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCC(C)(C)O)c1 ZINC000274758783 351580594 /nfs/dbraw/zinc/58/05/94/351580594.db2.gz JDFCQMXRFVHGRN-UHFFFAOYSA-N 1 0 249.358 2.137 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(Cl)cc1C#N ZINC000274805830 351583628 /nfs/dbraw/zinc/58/36/28/351583628.db2.gz PYXZMLZAQLRQLD-UHFFFAOYSA-N 1 0 237.690 2.410 20 30 BEEDRO CCCCCCC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274920729 351588251 /nfs/dbraw/zinc/58/82/51/351588251.db2.gz YXLMVZOUCBFCQP-UHFFFAOYSA-N 1 0 249.358 2.098 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC(n2ccnc2)CC1 ZINC000276284043 351614566 /nfs/dbraw/zinc/61/45/66/351614566.db2.gz GMQTXHLCHZYLTM-LBPRGKRZSA-N 1 0 232.331 2.212 20 30 BEEDRO CC(C)=CCCNC(=[NH2+])NCCC(C)C ZINC000276585136 351635479 /nfs/dbraw/zinc/63/54/79/351635479.db2.gz FRZQRQACWBDAAS-UHFFFAOYSA-N 1 0 211.353 2.293 20 30 BEEDRO CC/C(N)=[NH+]/OCCc1ccccc1F ZINC000278124168 351746486 /nfs/dbraw/zinc/74/64/86/351746486.db2.gz NIIJERYNDOVKQE-UHFFFAOYSA-N 1 0 210.252 2.067 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCNc2ccccn2)C1 ZINC000278150467 351747781 /nfs/dbraw/zinc/74/77/81/351747781.db2.gz ACUQPBQNEGQPRQ-CHWSQXEVSA-N 1 0 244.342 2.165 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1cnn(C)c1 ZINC000278822562 351785613 /nfs/dbraw/zinc/78/56/13/351785613.db2.gz SOBUKUKOANRQFR-GMXVVIOVSA-N 1 0 232.331 2.153 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cnn(C)c1 ZINC000278822559 351785852 /nfs/dbraw/zinc/78/58/52/351785852.db2.gz SOBUKUKOANRQFR-DMDPSCGWSA-N 1 0 232.331 2.153 20 30 BEEDRO Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000278276710 351754052 /nfs/dbraw/zinc/75/40/52/351754052.db2.gz PMQMYKVDXZZDEQ-UONOGXRCSA-N 1 0 246.358 2.254 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]CC ZINC000637930842 351807077 /nfs/dbraw/zinc/80/70/77/351807077.db2.gz ARTUCYMBBQXLHF-CYBMUJFWSA-N 1 0 246.354 2.199 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405130173 351858347 /nfs/dbraw/zinc/85/83/47/351858347.db2.gz MVYACTRNCDBHIX-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC=C(C)C1 ZINC000280916341 351866052 /nfs/dbraw/zinc/86/60/52/351866052.db2.gz SSVKLLVLVNSWMV-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000396881143 323661509 /nfs/dbraw/zinc/66/15/09/323661509.db2.gz DQDDWUNGVHPSML-JTQLQIEISA-N 1 0 215.362 2.063 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(C(F)F)CC2)C1 ZINC000336734869 351899003 /nfs/dbraw/zinc/89/90/03/351899003.db2.gz NQQHBXORXWSRMJ-IUCAKERBSA-N 1 0 214.259 2.314 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCCOCC2)CCCC1 ZINC000405143734 351954432 /nfs/dbraw/zinc/95/44/32/351954432.db2.gz WPQSGMGSIMENDO-LBPRGKRZSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc2c(cn1)OCCO2 ZINC000638097853 351978817 /nfs/dbraw/zinc/97/88/17/351978817.db2.gz HYBMUYHHPDPNHW-UHFFFAOYSA-N 1 0 248.326 2.251 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](OC)C1CCOCC1 ZINC000638100400 351980449 /nfs/dbraw/zinc/98/04/49/351980449.db2.gz ZDMNOKHQGNNAKQ-CQSZACIVSA-N 1 0 241.375 2.326 20 30 BEEDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000618068836 351993645 /nfs/dbraw/zinc/99/36/45/351993645.db2.gz ANBWMBVFXGJIMF-GXTWGEPZSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000340193274 352002645 /nfs/dbraw/zinc/00/26/45/352002645.db2.gz XKYTYTZGSQJSCZ-NXEZZACHSA-N 1 0 237.265 2.340 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC(C(F)F)CC1 ZINC000307324910 352020794 /nfs/dbraw/zinc/02/07/94/352020794.db2.gz SIUVLSJMTDLRRI-XNWIYYODSA-N 1 0 201.260 2.422 20 30 BEEDRO CC(C)[C@H](CNC1=[NH+]CCN1C)c1ccccc1 ZINC000285156273 352025460 /nfs/dbraw/zinc/02/54/60/352025460.db2.gz SDQSFEGBUCYYGJ-AWEZNQCLSA-N 1 0 245.370 2.317 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cn[nH]c1 ZINC000285350800 352037970 /nfs/dbraw/zinc/03/79/70/352037970.db2.gz VEHVACYLHXFAAW-VOMCLLRMSA-N 1 0 232.331 2.390 20 30 BEEDRO C=C(CNC(=[NH2+])N(C)C1CC1)c1ccccc1 ZINC000287313336 352121067 /nfs/dbraw/zinc/12/10/67/352121067.db2.gz URKHZBSLFDNEDA-UHFFFAOYSA-N 1 0 229.327 2.109 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000286151180 352078513 /nfs/dbraw/zinc/07/85/13/352078513.db2.gz NQHFCKCBDPZVCQ-GFCCVEGCSA-N 1 0 232.331 2.486 20 30 BEEDRO C[N@H+](CC1CCOCC1)[C@H]1CC[C@H](C#N)C1 ZINC000336600404 352197419 /nfs/dbraw/zinc/19/74/19/352197419.db2.gz UZNKFFNYRQOCPQ-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)C[C@H](O)C(C)C ZINC000340292295 352161193 /nfs/dbraw/zinc/16/11/93/352161193.db2.gz TZDGSNJONAXMFE-ZDUSSCGKSA-N 1 0 226.364 2.265 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1c2ccccc2O[C@H]1C ZINC000288756743 352164570 /nfs/dbraw/zinc/16/45/70/352164570.db2.gz RPWZMKVHARRIHG-GXFFZTMASA-N 1 0 247.342 2.213 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)Cc1cccn1C ZINC000618888315 352165406 /nfs/dbraw/zinc/16/54/06/352165406.db2.gz PPJXPOPMWCUTNN-GFCCVEGCSA-N 1 0 219.332 2.397 20 30 BEEDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](C)CCC#N ZINC000618888364 352166155 /nfs/dbraw/zinc/16/61/55/352166155.db2.gz QXZILFDOYJBVDL-KFWWJZLASA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@H+](CCCCC#N)C2)c1 ZINC000289782116 352198054 /nfs/dbraw/zinc/19/80/54/352198054.db2.gz HFIFLHDGFFMPPW-CYBMUJFWSA-N 1 0 232.331 2.132 20 30 BEEDRO Cc1ccncc1CCC[N@@H+](C)C[C@H](C)C#N ZINC000289228443 352176106 /nfs/dbraw/zinc/17/61/06/352176106.db2.gz YJFMVRFKDCQUTO-GFCCVEGCSA-N 1 0 231.343 2.414 20 30 BEEDRO C[C@H](CF)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000288349890 352146244 /nfs/dbraw/zinc/14/62/44/352146244.db2.gz BYGFXVUKBWJHCZ-GFCCVEGCSA-N 1 0 249.333 2.484 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCn2cccn2)cc1 ZINC000289954738 352204079 /nfs/dbraw/zinc/20/40/79/352204079.db2.gz BQXLNHBPPCRNAC-UHFFFAOYSA-N 1 0 239.322 2.044 20 30 BEEDRO N#CCCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000290024930 352207622 /nfs/dbraw/zinc/20/76/22/352207622.db2.gz VILWWJKGHLVPSY-LLVKDONJSA-N 1 0 238.722 2.087 20 30 BEEDRO CC[C@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)OC ZINC000290477177 352226582 /nfs/dbraw/zinc/22/65/82/352226582.db2.gz FSIVBBCLEBWDFP-CYBMUJFWSA-N 1 0 249.358 2.455 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@](C)(O)C(C)=O ZINC000411133361 191161592 /nfs/dbraw/zinc/16/15/92/191161592.db2.gz LYBKHKDDQCAXKZ-OAHLLOKOSA-N 1 0 247.338 2.015 20 30 BEEDRO C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC1(C#N)CC1 ZINC000613389583 363153915 /nfs/dbraw/zinc/15/39/15/363153915.db2.gz OAXQHYSDNWCVBH-TZMCWYRMSA-N 1 0 244.338 2.044 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H](C)[NH2+]CCC ZINC000638454618 352263785 /nfs/dbraw/zinc/26/37/85/352263785.db2.gz KAKPUJQTGODNJP-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCCCC#N ZINC000613390025 363154730 /nfs/dbraw/zinc/15/47/30/363154730.db2.gz QQTRXOQSPMYDSL-ZFWWWQNUSA-N 1 0 246.354 2.434 20 30 BEEDRO C=CC(C)(C)CCNC(=O)c1ccc(C[NH3+])cc1 ZINC000638454226 352267546 /nfs/dbraw/zinc/26/75/46/352267546.db2.gz DHFYBLZQQAXRDW-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000340360345 352248609 /nfs/dbraw/zinc/24/86/09/352248609.db2.gz JGIUDAJBCAPZAQ-BNOWGMLFSA-N 1 0 242.322 2.272 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000638471607 352280306 /nfs/dbraw/zinc/28/03/06/352280306.db2.gz JJHWCOBZNNSAHS-ZDUSSCGKSA-N 1 0 244.338 2.184 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccco1 ZINC000320271616 259425430 /nfs/dbraw/zinc/42/54/30/259425430.db2.gz LPWXJTPVIZDPJQ-WDEREUQCSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638491744 352303290 /nfs/dbraw/zinc/30/32/90/352303290.db2.gz IZAJTMFARAWUHH-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@H+](CCC)CC(C)C ZINC000411196299 191169283 /nfs/dbraw/zinc/16/92/83/191169283.db2.gz BHXGQZGZBRSYJK-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292198509 352306932 /nfs/dbraw/zinc/30/69/32/352306932.db2.gz NQCPQZIPLPSDMZ-JSGCOSHPSA-N 1 0 246.354 2.200 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000411227924 191171527 /nfs/dbraw/zinc/17/15/27/191171527.db2.gz PWEKPOARBFMEET-STQMWFEESA-N 1 0 232.331 2.212 20 30 BEEDRO C[C@@H]1CN(CCC#N)Cc2ccccc2O1 ZINC000292539491 352324705 /nfs/dbraw/zinc/32/47/05/352324705.db2.gz XPCRZHNSRFFTIH-LLVKDONJSA-N 1 0 216.284 2.183 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@H]1CCCOC1 ZINC000411285061 191174151 /nfs/dbraw/zinc/17/41/51/191174151.db2.gz ZOCWOOKXRGIUTG-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[NH+](CC)C[C@H]1CCN([C@@H](C)CCC#N)C1 ZINC000411300915 191176045 /nfs/dbraw/zinc/17/60/45/191176045.db2.gz RAVYIEHOCWGFOA-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000618905126 352345694 /nfs/dbraw/zinc/34/56/94/352345694.db2.gz WPKRKIXRFPUTBR-ZDUSSCGKSA-N 1 0 247.367 2.281 20 30 BEEDRO CC(C)[NH2+]C1CCN([C@H](C)CCC#N)CC1 ZINC000411359160 191180095 /nfs/dbraw/zinc/18/00/95/191180095.db2.gz DEDDDPJCNSHJLM-GFCCVEGCSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCc2ccc(O)cc2C1 ZINC000411379772 191181384 /nfs/dbraw/zinc/18/13/84/191181384.db2.gz CCAHYWWGESPAKC-LLVKDONJSA-N 1 0 230.311 2.443 20 30 BEEDRO CC(C)[C@H]1C[N@@H+]([C@H](C)CCC#N)CCO1 ZINC000411490987 191188225 /nfs/dbraw/zinc/18/82/25/191188225.db2.gz UNZOHMHXEVOYID-VXGBXAGGSA-N 1 0 210.321 2.035 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H](C)CCC#N)CCO1 ZINC000411490980 191188663 /nfs/dbraw/zinc/18/86/63/191188663.db2.gz UNZOHMHXEVOYID-NEPJUHHUSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](NCCC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519131 191190986 /nfs/dbraw/zinc/19/09/86/191190986.db2.gz REPVMDJTWICKMB-QWHCGFSZSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CO)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411399387 191183532 /nfs/dbraw/zinc/18/35/32/191183532.db2.gz GHHIANQREDBWBN-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CC[C@H]1CCCO1 ZINC000411622130 191198061 /nfs/dbraw/zinc/19/80/61/191198061.db2.gz PKGZEINVSYNNQO-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCC[N@@H+](CCC)[C@@H](C)C(=O)OCC ZINC000411648657 191202390 /nfs/dbraw/zinc/20/23/90/191202390.db2.gz OEEOSWUTYNTATL-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1ncccc1C ZINC000411645664 191202672 /nfs/dbraw/zinc/20/26/72/191202672.db2.gz TZRVRYSBBNRBHJ-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)[C@H]1CC[C@@H](C#N)C1 ZINC000411649930 191202685 /nfs/dbraw/zinc/20/26/85/191202685.db2.gz SHRVJAOTTKNILU-KGLIPLIRSA-N 1 0 235.375 2.118 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cncc(C)c1 ZINC000411647826 191202695 /nfs/dbraw/zinc/20/26/95/191202695.db2.gz OOKWUHIFFDEDQP-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO CCCN(CC[NH+]1CCCC1)[C@H](C)CCC#N ZINC000411720453 191205641 /nfs/dbraw/zinc/20/56/41/191205641.db2.gz PXXMFLNXNWKTJB-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO CCC[N@H+](CCN1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000411721701 191206189 /nfs/dbraw/zinc/20/61/89/191206189.db2.gz SYCOMMACBMSXID-LSDHHAIUSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](COC(F)F)C1 ZINC000411725485 191207863 /nfs/dbraw/zinc/20/78/63/191207863.db2.gz FYMRGBHZGRITKD-ZJUUUORDSA-N 1 0 232.274 2.240 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000638609455 352447697 /nfs/dbraw/zinc/44/76/97/352447697.db2.gz MIPZNRZZFFXVEB-IGQOVBAYSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000411764438 191209030 /nfs/dbraw/zinc/20/90/30/191209030.db2.gz FRBBXTLLQFFOBX-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO COC[C@@]1(C)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411771381 191210598 /nfs/dbraw/zinc/21/05/98/191210598.db2.gz GGBUPABKPGDDQC-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C[C@@H]1C ZINC000411791705 191211884 /nfs/dbraw/zinc/21/18/84/191211884.db2.gz HLHPRMDSLRJEBV-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCO[C@@H](C3CCC3)C2)C1 ZINC000411836920 191214897 /nfs/dbraw/zinc/21/48/97/191214897.db2.gz ALRFPKMQRKWNLE-MRVWCRGKSA-N 1 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1 0 210.321 2.083 20 30 BEEDRO N#CCCCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411936605 191230517 /nfs/dbraw/zinc/23/05/17/191230517.db2.gz ISLGDBQSKHMWEH-HUUCEWRRSA-N 1 0 244.338 2.488 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000638749470 352683615 /nfs/dbraw/zinc/68/36/15/352683615.db2.gz PUDNKJXBLNOJJJ-WDEREUQCSA-N 1 0 220.316 2.185 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)CC(F)F ZINC000336746784 352742815 /nfs/dbraw/zinc/74/28/15/352742815.db2.gz BYXSVVBVZCBAIE-IVZWLZJFSA-N 1 0 221.291 2.193 20 30 BEEDRO C[C@H]1C[N@H+](C)CCN1CCC1(C#N)CCCCC1 ZINC000334180198 352767903 /nfs/dbraw/zinc/76/79/03/352767903.db2.gz BYNXUJPJKLYKMB-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[N@H+](CCOCCC#N)C1CC(C)(C)C1 ZINC000412039879 191249593 /nfs/dbraw/zinc/24/95/93/191249593.db2.gz QVZCXVYJJDXKTG-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000334201592 352794584 /nfs/dbraw/zinc/79/45/84/352794584.db2.gz OJFKDZZBLJXUBW-CHWSQXEVSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(C)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000334201603 352794639 /nfs/dbraw/zinc/79/46/39/352794639.db2.gz OJFKDZZBLJXUBW-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO C=C1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000334204251 352798460 /nfs/dbraw/zinc/79/84/60/352798460.db2.gz SAHNHWNPWPBGOI-UHFFFAOYSA-N 1 0 220.316 2.486 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000449629848 201990956 /nfs/dbraw/zinc/99/09/56/201990956.db2.gz LJBDJKNAPOAVAK-YGNMPJRFSA-N 1 0 222.332 2.082 20 30 BEEDRO C=CCC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000342868511 352882595 /nfs/dbraw/zinc/88/25/95/352882595.db2.gz NPVJRAFOTQRTOV-SNVBAGLBSA-N 1 0 236.281 2.131 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1 ZINC000334264223 352897924 /nfs/dbraw/zinc/89/79/24/352897924.db2.gz KTFHCOKJOVTQSA-AAEUAGOBSA-N 1 0 244.342 2.281 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1 ZINC000334264229 352898798 /nfs/dbraw/zinc/89/87/98/352898798.db2.gz KTFHCOKJOVTQSA-WCQYABFASA-N 1 0 244.342 2.281 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1 ZINC000334264233 352898844 /nfs/dbraw/zinc/89/88/44/352898844.db2.gz KTFHCOKJOVTQSA-YPMHNXCESA-N 1 0 244.342 2.281 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638812450 352991181 /nfs/dbraw/zinc/99/11/81/352991181.db2.gz ZEKAZGAJSQQFHF-UWVGGRQHSA-N 1 0 219.275 2.212 20 30 BEEDRO Cc1noc(C)c1CC[NH+]1CCC(C)(C#N)CC1 ZINC000334315989 352946766 /nfs/dbraw/zinc/94/67/66/352946766.db2.gz OEHDGOSLCMXEMD-UHFFFAOYSA-N 1 0 247.342 2.460 20 30 BEEDRO C=CC1CC[NH+](Cc2conc2C)CC1 ZINC000334356073 352996149 /nfs/dbraw/zinc/99/61/49/352996149.db2.gz MDKITXKZISIYMB-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1c(C)cccc1OC ZINC000638831059 353010637 /nfs/dbraw/zinc/01/06/37/353010637.db2.gz WPTGQYQHZYWBBM-ZDUSSCGKSA-N 1 0 249.354 2.278 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336751494 353060338 /nfs/dbraw/zinc/06/03/38/353060338.db2.gz GJSNIADKQZDSGP-FRRDWIJNSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336751495 353060503 /nfs/dbraw/zinc/06/05/03/353060503.db2.gz GJSNIADKQZDSGP-RWMBFGLXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[NH2+]CC1CC1 ZINC000638875031 353041012 /nfs/dbraw/zinc/04/10/12/353041012.db2.gz LZFXHTFYDKQCLM-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H](C)[NH2+]CCC ZINC000638876044 353042186 /nfs/dbraw/zinc/04/21/86/353042186.db2.gz WZBVSTZCSLHQSW-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000638874068 353044424 /nfs/dbraw/zinc/04/44/24/353044424.db2.gz DFQKDOPUWJCTFT-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000638874073 353044646 /nfs/dbraw/zinc/04/46/46/353044646.db2.gz DLCQMTZJCGLBCR-LLVKDONJSA-N 1 0 240.391 2.468 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000334423865 353102540 /nfs/dbraw/zinc/10/25/40/353102540.db2.gz GCJZVEQAKCZEEO-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000334423866 353102735 /nfs/dbraw/zinc/10/27/35/353102735.db2.gz GCJZVEQAKCZEEO-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C[C@H](CC1CCOCC1)[NH2+]CC(C)(C)C#N ZINC000336744263 353132710 /nfs/dbraw/zinc/13/27/10/353132710.db2.gz PZRWHQJKYFTHHW-LLVKDONJSA-N 1 0 224.348 2.331 20 30 BEEDRO CC#CCC[NH2+]C/C=C/c1ccncc1 ZINC000336754936 353146471 /nfs/dbraw/zinc/14/64/71/353146471.db2.gz ISGIJXNZRCVMTG-AATRIKPKSA-N 1 0 200.285 2.098 20 30 BEEDRO CC(C)C[C@@H](CNc1cccnc1C#N)[NH+](C)C ZINC000357305020 188066472 /nfs/dbraw/zinc/06/64/72/188066472.db2.gz RJQJQYVPOSVPEO-LBPRGKRZSA-N 1 0 246.358 2.341 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C(=O)OC)co1 ZINC000171108972 188079437 /nfs/dbraw/zinc/07/94/37/188079437.db2.gz XEWBJKXUEDCXFE-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506129 188081097 /nfs/dbraw/zinc/08/10/97/188081097.db2.gz PEKUTZCQRIVXTK-LBPRGKRZSA-N 1 0 246.358 2.438 20 30 BEEDRO C#CCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000270680590 188089384 /nfs/dbraw/zinc/08/93/84/188089384.db2.gz YPOCWYFBNDZREZ-CQSZACIVSA-N 1 0 233.311 2.284 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000336760084 353170062 /nfs/dbraw/zinc/17/00/62/353170062.db2.gz JMIGNQPVUYSFGP-WHOHXGKFSA-N 1 0 222.332 2.082 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(NC(C)=O)cc1 ZINC000271125229 188090810 /nfs/dbraw/zinc/09/08/10/188090810.db2.gz GYRCRBAUKOPARE-UHFFFAOYSA-N 1 0 230.311 2.100 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ncn(C)n1 ZINC000275682897 188093216 /nfs/dbraw/zinc/09/32/16/188093216.db2.gz IFKNPKHDMLTZRO-DCAQKATOSA-N 1 0 222.336 2.066 20 30 BEEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@H](O)COC ZINC000279363203 188096038 /nfs/dbraw/zinc/09/60/38/188096038.db2.gz RDOLCQKCPNLJRV-HNNXBMFYSA-N 1 0 249.354 2.072 20 30 BEEDRO COCCC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336757097 353160904 /nfs/dbraw/zinc/16/09/04/353160904.db2.gz HMAXPEUPGSZILU-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000261585230 188086906 /nfs/dbraw/zinc/08/69/06/188086906.db2.gz SWHGTDPAATUCMT-UHFFFAOYSA-N 1 0 246.310 2.073 20 30 BEEDRO CC(C)[C@H](C#N)N1CC[NH+](CC2CCCC2)CC1 ZINC000609538701 353167461 /nfs/dbraw/zinc/16/74/61/353167461.db2.gz WEVJMRCTEPWVRG-HNNXBMFYSA-N 1 0 249.402 2.342 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000265210199 188087569 /nfs/dbraw/zinc/08/75/69/188087569.db2.gz DBTSQPVNHLAIDW-HNNXBMFYSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000262844133 188087662 /nfs/dbraw/zinc/08/76/62/188087662.db2.gz JFJVSYPZTIRATA-WCQYABFASA-N 1 0 236.359 2.012 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnn(C)c1C ZINC000268951976 188088842 /nfs/dbraw/zinc/08/88/42/188088842.db2.gz VQHIGHWSTYZRSB-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(C#N)ccn2)C1 ZINC000044364655 188122718 /nfs/dbraw/zinc/12/27/18/188122718.db2.gz VNROZAKUXGJLNZ-ZDUSSCGKSA-N 1 0 244.342 2.095 20 30 BEEDRO CC(C)[NH+](CCNc1cc(C#N)ccn1)C(C)C ZINC000019514656 188107704 /nfs/dbraw/zinc/10/77/04/188107704.db2.gz VXNJQVQGCILYFZ-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000336762224 353199773 /nfs/dbraw/zinc/19/97/73/353199773.db2.gz NZQVOFDOHDJFLJ-ZCFIWIBFSA-N 1 0 219.210 2.093 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000336763022 353208049 /nfs/dbraw/zinc/20/80/49/353208049.db2.gz OTATWNHALLGDOF-SSDOTTSWSA-N 1 0 215.247 2.022 20 30 BEEDRO CC(C)(CF)[NH2+]Cc1ccc(C#N)s1 ZINC000336701439 188165992 /nfs/dbraw/zinc/16/59/92/188165992.db2.gz XTYADEREMYWVFB-UHFFFAOYSA-N 1 0 212.293 2.457 20 30 BEEDRO CC(C)(O)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000181549015 188168143 /nfs/dbraw/zinc/16/81/43/188168143.db2.gz NURHNPULRUTPCE-UHFFFAOYSA-N 1 0 244.338 2.294 20 30 BEEDRO CC(C)C[C@@H](CO)[N@H+](C)Cc1ccccc1C#N ZINC000185345826 188170075 /nfs/dbraw/zinc/17/00/75/188170075.db2.gz ZHFWIHDHOSCFOJ-HNNXBMFYSA-N 1 0 246.354 2.397 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331307426 353243743 /nfs/dbraw/zinc/24/37/43/353243743.db2.gz BCUISYWAJALONZ-AGIUHOORSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)[C@H]([NH3+])CNc1nccc(C#N)c1Cl ZINC000232721626 353272151 /nfs/dbraw/zinc/27/21/51/353272151.db2.gz JHKKHYXTVGTDSD-SECBINFHSA-N 1 0 238.722 2.002 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccncc1CC ZINC000336767082 353274162 /nfs/dbraw/zinc/27/41/62/353274162.db2.gz SEHKZSSROYBBKL-NSHDSACASA-N 1 0 202.301 2.318 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C(=O)OC)co1 ZINC000164657735 188218774 /nfs/dbraw/zinc/21/87/74/188218774.db2.gz WVFZIDQMJFSEHO-VIFPVBQESA-N 1 0 223.272 2.120 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000336768077 353277661 /nfs/dbraw/zinc/27/76/61/353277661.db2.gz UIOOUUOAIKQTMH-RWMBFGLXSA-N 1 0 209.333 2.357 20 30 BEEDRO CC(C)[C@H]([NH2+]Cc1ccc(C#N)cc1)C(C)(C)O ZINC000276604430 188202403 /nfs/dbraw/zinc/20/24/03/188202403.db2.gz HDTGOGFGJJDWSZ-AWEZNQCLSA-N 1 0 246.354 2.443 20 30 BEEDRO C=C(C)C[N@@H+](CC)CCCC(=O)OCC ZINC000070947043 353262043 /nfs/dbraw/zinc/26/20/43/353262043.db2.gz RZVYRQJUPXNEMY-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](O)c1ccc(C)cc1 ZINC000127167526 353265239 /nfs/dbraw/zinc/26/52/39/353265239.db2.gz SCUAMZNQIAUMDU-CYBMUJFWSA-N 1 0 205.301 2.146 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCc2ccc(C)cc21 ZINC000289982800 353265959 /nfs/dbraw/zinc/26/59/59/353265959.db2.gz XZQIEBTVSWLZMA-JSGCOSHPSA-N 1 0 217.312 2.119 20 30 BEEDRO N#CCCN1CCC(C[NH+]2CCCCCC2)CC1 ZINC000045944270 353285580 /nfs/dbraw/zinc/28/55/80/353285580.db2.gz XJIQLQFHOWFMMC-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H](OC)C1CCCCC1 ZINC000639044099 353332546 /nfs/dbraw/zinc/33/25/46/353332546.db2.gz FGLCFRXGCKMROM-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@H](CC1CCOCC1)[NH2+]CCCC#N ZINC000336772231 353319262 /nfs/dbraw/zinc/31/92/62/353319262.db2.gz XXXKZXOKWVQYGG-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC(=O)OC(C)C ZINC000075617655 353322056 /nfs/dbraw/zinc/32/20/56/353322056.db2.gz PCJDYNMTMVTYGX-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000162638815 353323435 /nfs/dbraw/zinc/32/34/35/353323435.db2.gz DSCDAFIYPNIFFV-VIFPVBQESA-N 1 0 223.272 2.120 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000130736555 353357364 /nfs/dbraw/zinc/35/73/64/353357364.db2.gz JVPVHMCHHGAWPI-NSHDSACASA-N 1 0 219.332 2.183 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000130653671 353357380 /nfs/dbraw/zinc/35/73/80/353357380.db2.gz URQLVANSFSFOQM-GFCCVEGCSA-N 1 0 235.327 2.064 20 30 BEEDRO C[C@@H](Cn1cccn1)[NH2+]CC(C)(C)CCC#N ZINC000163658348 353359232 /nfs/dbraw/zinc/35/92/32/353359232.db2.gz RJVBUCCAMJBZLF-LBPRGKRZSA-N 1 0 234.347 2.191 20 30 BEEDRO CC[N@@H+]1CCN(c2cccc(F)c2C#N)[C@H](C)C1 ZINC000343283354 353345249 /nfs/dbraw/zinc/34/52/49/353345249.db2.gz JHZCUOOBMKAIKS-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cnc(CC)s1 ZINC000320569248 259444107 /nfs/dbraw/zinc/44/41/07/259444107.db2.gz VMGCRIREMHDMKV-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000133076049 353395819 /nfs/dbraw/zinc/39/58/19/353395819.db2.gz FJFGAAARDXMHRV-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000131618218 353371176 /nfs/dbraw/zinc/37/11/76/353371176.db2.gz OWUGBQJHEFVDDM-ZBEGNZNMSA-N 1 0 235.352 2.098 20 30 BEEDRO C#CCCCC[NH2+][C@H](CC)c1nccn1C ZINC000132313152 353377487 /nfs/dbraw/zinc/37/74/87/353377487.db2.gz SYSOWEBSSSGDQU-GFCCVEGCSA-N 1 0 219.332 2.264 20 30 BEEDRO C=CCC[NH+]1CCN(c2nc(C)cs2)CC1 ZINC000132527322 353379724 /nfs/dbraw/zinc/37/97/24/353379724.db2.gz ZJTIRZFJALSWCM-UHFFFAOYSA-N 1 0 237.372 2.150 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C(=O)OC)c(C)o1 ZINC000132418628 353379867 /nfs/dbraw/zinc/37/98/67/353379867.db2.gz HDLFNGBMOZVUJZ-UHFFFAOYSA-N 1 0 237.299 2.383 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000132592544 353384061 /nfs/dbraw/zinc/38/40/61/353384061.db2.gz FLTZDTKMZGEQQQ-NSHDSACASA-N 1 0 221.304 2.134 20 30 BEEDRO N#CC1(CN2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000343297704 353420066 /nfs/dbraw/zinc/42/00/66/353420066.db2.gz CHZQBRJTZISREN-CQSZACIVSA-N 1 0 241.338 2.477 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000091080696 353399930 /nfs/dbraw/zinc/39/99/30/353399930.db2.gz GJFRYSFMGMYTSQ-GFCCVEGCSA-N 1 0 217.316 2.187 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CCOC ZINC000081709723 353412538 /nfs/dbraw/zinc/41/25/38/353412538.db2.gz BCOYQTCFKOYWSM-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc(OC)s1 ZINC000639090716 353450932 /nfs/dbraw/zinc/45/09/32/353450932.db2.gz JTGSLELRZDQTSZ-UHFFFAOYSA-N 1 0 212.318 2.160 20 30 BEEDRO C[N@@H+](CC#Cc1ccc(Cl)cc1)CCCO ZINC000281803785 353453905 /nfs/dbraw/zinc/45/39/05/353453905.db2.gz KSDUDAGEVSCKGS-UHFFFAOYSA-N 1 0 237.730 2.006 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CC=CCC2)C1=O ZINC000281122162 353430595 /nfs/dbraw/zinc/43/05/95/353430595.db2.gz CEMNFIVVIPIECS-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000093533564 353490313 /nfs/dbraw/zinc/49/03/13/353490313.db2.gz UMCDNWCTMDLOBM-UHFFFAOYSA-N 1 0 249.358 2.115 20 30 BEEDRO C#CC[NH+](CC#C)CCCCC1CCOCC1 ZINC000282140840 353464208 /nfs/dbraw/zinc/46/42/08/353464208.db2.gz ZLYIKWDHARKWRB-UHFFFAOYSA-N 1 0 233.355 2.152 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)[C@@H](C)CC)n1 ZINC000282237496 353467447 /nfs/dbraw/zinc/46/74/47/353467447.db2.gz ZUDBUBFKKXCFTF-LBPRGKRZSA-N 1 0 219.332 2.137 20 30 BEEDRO CC#CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000284337644 353510985 /nfs/dbraw/zinc/51/09/85/353510985.db2.gz QYPOJCLGDHWRCT-LSDHHAIUSA-N 1 0 228.339 2.045 20 30 BEEDRO C=CC[N@@H+](CCc1ccnn1CC)C1CC1 ZINC000284573462 353514781 /nfs/dbraw/zinc/51/47/81/353514781.db2.gz ZBNIZAUTYOHZDP-UHFFFAOYSA-N 1 0 219.332 2.096 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000160198180 353520105 /nfs/dbraw/zinc/52/01/05/353520105.db2.gz OIIWANCDVSIVNI-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000183301445 353530752 /nfs/dbraw/zinc/53/07/52/353530752.db2.gz LAOOEODMYVXPCH-LBPRGKRZSA-N 1 0 249.379 2.196 20 30 BEEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000192013515 353531384 /nfs/dbraw/zinc/53/13/84/353531384.db2.gz FBAOOSDHHWFUHK-ZBFHGGJFSA-N 1 0 243.350 2.273 20 30 BEEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000192013524 353531472 /nfs/dbraw/zinc/53/14/72/353531472.db2.gz FBAOOSDHHWFUHK-GDBMZVCRSA-N 1 0 243.350 2.273 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000285309181 353533099 /nfs/dbraw/zinc/53/30/99/353533099.db2.gz HYBZEHLCAAFAPF-GXTWGEPZSA-N 1 0 249.358 2.264 20 30 BEEDRO C#CCCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000285293684 353533203 /nfs/dbraw/zinc/53/32/03/353533203.db2.gz GQGWOAOJOBUSMW-ZDUSSCGKSA-N 1 0 217.316 2.350 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192054984 353533679 /nfs/dbraw/zinc/53/36/79/353533679.db2.gz RIMAUBUNCHYVBN-MRXNPFEDSA-N 1 0 243.350 2.397 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCOC1 ZINC000192058579 353534005 /nfs/dbraw/zinc/53/40/05/353534005.db2.gz QPHAUCCESIUTIR-HNNXBMFYSA-N 1 0 229.323 2.006 20 30 BEEDRO C#CC[N@H+](C)CCSc1ccccc1 ZINC000192222844 353538033 /nfs/dbraw/zinc/53/80/33/353538033.db2.gz DOIYBDLLRHBJJY-UHFFFAOYSA-N 1 0 205.326 2.344 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000135192348 353541117 /nfs/dbraw/zinc/54/11/17/353541117.db2.gz CGAIHDJQQCENPQ-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285494496 353543973 /nfs/dbraw/zinc/54/39/73/353543973.db2.gz CHEQPYBYRRZUHI-NSHDSACASA-N 1 0 233.311 2.296 20 30 BEEDRO CCOCC[N@H+](C)CC#Cc1ccccc1 ZINC000192145078 353544824 /nfs/dbraw/zinc/54/48/24/353544824.db2.gz OVTXKVFATYYRFK-UHFFFAOYSA-N 1 0 217.312 2.006 20 30 BEEDRO CC[C@H](C)[N@@H+](CC#Cc1ccc(F)cc1)CCO ZINC000287412515 353582891 /nfs/dbraw/zinc/58/28/91/353582891.db2.gz OOPDOHXXEJBDRJ-ZDUSSCGKSA-N 1 0 249.329 2.270 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1nnc2n1CCCC2 ZINC000183870459 353588619 /nfs/dbraw/zinc/58/86/19/353588619.db2.gz DWQOVTGSFJFTIR-GFCCVEGCSA-N 1 0 248.374 2.449 20 30 BEEDRO CCC[NH+]1CCC(N(C)CC2(C#N)CC2)CC1 ZINC000343308349 353553719 /nfs/dbraw/zinc/55/37/19/353553719.db2.gz ZPWMUSGWDNEFJH-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H](CC)CC#N ZINC000336780321 353573086 /nfs/dbraw/zinc/57/30/86/353573086.db2.gz QYCHQAINGYNINV-AVGNSLFASA-N 1 0 224.348 2.473 20 30 BEEDRO C#Cc1ccc(CN2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000289291916 353621109 /nfs/dbraw/zinc/62/11/09/353621109.db2.gz HGJYNPSFHZRYHC-INIZCTEOSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(CN2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000289291926 353621268 /nfs/dbraw/zinc/62/12/68/353621268.db2.gz HGJYNPSFHZRYHC-MRXNPFEDSA-N 1 0 242.366 2.194 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](CCOC)Cc1cccc(F)c1 ZINC000289319296 353622107 /nfs/dbraw/zinc/62/21/07/353622107.db2.gz FNYBOWLLTQPBDI-SWLSCSKDSA-N 1 0 249.329 2.385 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(C(C)C)c1)C(C)C ZINC000289657955 353624877 /nfs/dbraw/zinc/62/48/77/353624877.db2.gz YKPRDHGFJBDPQK-ZDUSSCGKSA-N 1 0 219.332 2.211 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000289652563 353625254 /nfs/dbraw/zinc/62/52/54/353625254.db2.gz GIBNAENIMQAGKC-QPUJVOFHSA-N 1 0 239.265 2.089 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](COC)Cc1ccccc1)C(C)C ZINC000289388148 353627530 /nfs/dbraw/zinc/62/75/30/353627530.db2.gz NGWQAQOAQXJSLD-CVEARBPZSA-N 1 0 245.366 2.492 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](COC)Cc1ccccc1)C(C)C ZINC000289388154 353627696 /nfs/dbraw/zinc/62/76/96/353627696.db2.gz NGWQAQOAQXJSLD-HZPDHXFCSA-N 1 0 245.366 2.492 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)cc1 ZINC000289540394 353631832 /nfs/dbraw/zinc/63/18/32/353631832.db2.gz IANZRMPIUYXYFL-CZUORRHYSA-N 1 0 243.350 2.430 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OCCCOC)c1 ZINC000289537615 353632099 /nfs/dbraw/zinc/63/20/99/353632099.db2.gz QHLZSYNWCWCMDU-CYBMUJFWSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000289610133 353633500 /nfs/dbraw/zinc/63/35/00/353633500.db2.gz DBDDBLQFBRCCMU-JSGCOSHPSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc2c(c1)CC(C)(C)O2 ZINC000289800960 353636981 /nfs/dbraw/zinc/63/69/81/353636981.db2.gz KXWCMQPFFJFUDF-CYBMUJFWSA-N 1 0 247.338 2.037 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1cccc(C)c1 ZINC000289695988 353637606 /nfs/dbraw/zinc/63/76/06/353637606.db2.gz IJZLJBYOLWIBST-HIFRSBDPSA-N 1 0 233.355 2.453 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000289861935 353640321 /nfs/dbraw/zinc/64/03/21/353640321.db2.gz QZDAERDXBRVBEO-NEPJUHHUSA-N 1 0 235.327 2.207 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)C[C@@H](C)OC)cc1 ZINC000289870152 353640697 /nfs/dbraw/zinc/64/06/97/353640697.db2.gz VTUJRXZEDSSALF-GFCCVEGCSA-N 1 0 217.312 2.135 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000289884012 353641374 /nfs/dbraw/zinc/64/13/74/353641374.db2.gz SEBUVRITEJZYCK-DOMZBBRYSA-N 1 0 247.338 2.209 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000290076598 353647277 /nfs/dbraw/zinc/64/72/77/353647277.db2.gz LNGZVFGWBQVFNJ-IUODEOHRSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000290076601 353647510 /nfs/dbraw/zinc/64/75/10/353647510.db2.gz LNGZVFGWBQVFNJ-WFASDCNBSA-N 1 0 229.323 2.325 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(CC#N)CC2)[C@H]2CCO[C@H]21 ZINC000366819197 353648963 /nfs/dbraw/zinc/64/89/63/353648963.db2.gz FVZNVHWWMAIYFW-IJLUTSLNSA-N 1 0 234.343 2.083 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC(C)(CO)CC2)cc1 ZINC000290202068 353651511 /nfs/dbraw/zinc/65/15/11/353651511.db2.gz DBIXFUXQKBFLNH-UHFFFAOYSA-N 1 0 243.350 2.262 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(NC(C)=O)cc1)C(C)C ZINC000289338433 353612597 /nfs/dbraw/zinc/61/25/97/353612597.db2.gz HMCDYOPJNMPLHH-HNNXBMFYSA-N 1 0 244.338 2.392 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000289072919 353616943 /nfs/dbraw/zinc/61/69/43/353616943.db2.gz AKFJDEARYXXYGC-ZDUSSCGKSA-N 1 0 217.312 2.448 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC000289081149 353617615 /nfs/dbraw/zinc/61/76/15/353617615.db2.gz AXIKNJGZDMKYJR-DGCLKSJQSA-N 1 0 229.323 2.164 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn2ccccc12)C(C)C ZINC000289103573 353618277 /nfs/dbraw/zinc/61/82/77/353618277.db2.gz CHDMMEWHDWXISP-CYBMUJFWSA-N 1 0 227.311 2.082 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000289105564 353618294 /nfs/dbraw/zinc/61/82/94/353618294.db2.gz CKCXWBYKVNVUBP-GFCCVEGCSA-N 1 0 239.322 2.496 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)cc1 ZINC000289216359 353619832 /nfs/dbraw/zinc/61/98/32/353619832.db2.gz JALRRGPINMESLE-CVEARBPZSA-N 1 0 243.350 2.261 20 30 BEEDRO CC(C)[NH+]1CCC(N(C)CC2(C#N)CC2)CC1 ZINC000343317431 353659378 /nfs/dbraw/zinc/65/93/78/353659378.db2.gz VHKVVRNURZZAAX-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCOC1 ZINC000336781892 353696194 /nfs/dbraw/zinc/69/61/94/353696194.db2.gz WAGHLYSFMSFGHG-YNEHKIRRSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000290387839 353662366 /nfs/dbraw/zinc/66/23/66/353662366.db2.gz JCOGOKPBIDNJQI-UHFFFAOYSA-N 1 0 230.315 2.356 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCOC1 ZINC000336781891 353696390 /nfs/dbraw/zinc/69/63/90/353696390.db2.gz WAGHLYSFMSFGHG-RWMBFGLXSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@]1(C)C[C@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343320759 353676875 /nfs/dbraw/zinc/67/68/75/353676875.db2.gz MLOUYMIYHMQAQN-WCQYABFASA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000291706637 353697263 /nfs/dbraw/zinc/69/72/63/353697263.db2.gz IIVKUQVJPAGKCQ-MRXNPFEDSA-N 1 0 245.366 2.490 20 30 BEEDRO C=CCCC[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292121766 353710489 /nfs/dbraw/zinc/71/04/89/353710489.db2.gz IAZSQLICNCENSQ-TZMCWYRMSA-N 1 0 246.354 2.200 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1ccncc1 ZINC000292718600 353721298 /nfs/dbraw/zinc/72/12/98/353721298.db2.gz AJTQPSCHZJKHGB-LBPRGKRZSA-N 1 0 220.316 2.277 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)c1ccccc1 ZINC000066109853 353779200 /nfs/dbraw/zinc/77/92/00/353779200.db2.gz HDFCNAMLTRUDMD-ZDUSSCGKSA-N 1 0 232.327 2.030 20 30 BEEDRO C=CCOCC[NH2+][C@H](COC)c1ccc(C)o1 ZINC000294463035 353779791 /nfs/dbraw/zinc/77/97/91/353779791.db2.gz GLIVBTQJEAISLO-GFCCVEGCSA-N 1 0 239.315 2.068 20 30 BEEDRO C=CCOCC[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000294463041 353779833 /nfs/dbraw/zinc/77/98/33/353779833.db2.gz GLIVBTQJEAISLO-LBPRGKRZSA-N 1 0 239.315 2.068 20 30 BEEDRO C#CCCN1Cc2cnn(-c3ccccc3)c2C1 ZINC000293239870 353742494 /nfs/dbraw/zinc/74/24/94/353742494.db2.gz SSFRCNQLZRCMMM-UHFFFAOYSA-N 1 0 237.306 2.211 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CC)cc1 ZINC000293377995 353746403 /nfs/dbraw/zinc/74/64/03/353746403.db2.gz IFPNUWYXOVNSIG-JSGCOSHPSA-N 1 0 247.338 2.120 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C(C)C)C2COC2)cc1 ZINC000296081928 353817880 /nfs/dbraw/zinc/81/78/80/353817880.db2.gz QNRVZWOHCGHUTJ-UHFFFAOYSA-N 1 0 229.323 2.277 20 30 BEEDRO C#CCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000066853192 353818015 /nfs/dbraw/zinc/81/80/15/353818015.db2.gz JMCQWDPUVKAQDS-OCCSQVGLSA-N 1 0 215.296 2.082 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1nn(CC)nc1C ZINC000296127437 353818722 /nfs/dbraw/zinc/81/87/22/353818722.db2.gz UGEDKIUATJAZEX-UHFFFAOYSA-N 1 0 236.363 2.298 20 30 BEEDRO CS[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000296221661 353821040 /nfs/dbraw/zinc/82/10/40/353821040.db2.gz KDYRYRYMMVWRMP-AWEZNQCLSA-N 1 0 231.364 2.475 20 30 BEEDRO C=CCCCC[NH2+]Cc1ncnn1C(C)C ZINC000393845268 353834238 /nfs/dbraw/zinc/83/42/38/353834238.db2.gz ZKZPSYFYLCXRLI-UHFFFAOYSA-N 1 0 222.336 2.305 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639132707 353842014 /nfs/dbraw/zinc/84/20/14/353842014.db2.gz SKNCHCNUSFRIGW-AVGNSLFASA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nnc(C(C)C)[nH]1 ZINC000294739809 353787888 /nfs/dbraw/zinc/78/78/88/353787888.db2.gz HAEMHUQJFWDUTG-JTQLQIEISA-N 1 0 222.336 2.372 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000336530327 181028993 /nfs/dbraw/zinc/02/89/93/181028993.db2.gz DNBHREJBKMEXLA-GFCCVEGCSA-N 1 0 234.343 2.229 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](CCC)OC ZINC000639144803 353851160 /nfs/dbraw/zinc/85/11/60/353851160.db2.gz KTZYPAVNWKSEHV-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@](C)(CC)OC ZINC000639145440 353851574 /nfs/dbraw/zinc/85/15/74/353851574.db2.gz LICBQJJNAXUISM-MELADBBJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000196012183 353853943 /nfs/dbraw/zinc/85/39/43/353853943.db2.gz PKMNGKTUCLPAPN-UHFFFAOYSA-N 1 0 231.339 2.199 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000334530090 353906543 /nfs/dbraw/zinc/90/65/43/353906543.db2.gz XZBZHPIGAJOSPT-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000334530088 353906836 /nfs/dbraw/zinc/90/68/36/353906836.db2.gz XZBZHPIGAJOSPT-RYUDHWBXSA-N 1 0 238.375 2.140 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(OCC)c1 ZINC000229514135 363280215 /nfs/dbraw/zinc/28/02/15/363280215.db2.gz KKABBYKRNVZQAG-NSHDSACASA-N 1 0 203.285 2.197 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cnccn1 ZINC000334547483 353985716 /nfs/dbraw/zinc/98/57/16/353985716.db2.gz FBFVVPHZAXGGCT-LBPRGKRZSA-N 1 0 203.289 2.017 20 30 BEEDRO CC(C)[NH+]1CCC(Nc2cccc(C#N)n2)CC1 ZINC000122582417 188543295 /nfs/dbraw/zinc/54/32/95/188543295.db2.gz SHUPUNKIAOOSFP-UHFFFAOYSA-N 1 0 244.342 2.238 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C)CO)c1ccc(C#N)cc1 ZINC000278281347 188560360 /nfs/dbraw/zinc/56/03/60/188560360.db2.gz PXOXNTCSQMVDDX-RISCZKNCSA-N 1 0 232.327 2.227 20 30 BEEDRO N#CC1(CC[N@H+]2C[C@@H](O)C3(CC3)C2)CCCCC1 ZINC000334565000 354084850 /nfs/dbraw/zinc/08/48/50/354084850.db2.gz SMPHYBYCNRLNTD-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000308884315 181060887 /nfs/dbraw/zinc/06/08/87/181060887.db2.gz RVOPKPBHYWNWOE-NEPJUHHUSA-N 1 0 224.373 2.411 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCS2)C1 ZINC000307376950 181060967 /nfs/dbraw/zinc/06/09/67/181060967.db2.gz WJERBLPIUHYGSS-GMTAPVOTSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000344070396 354131325 /nfs/dbraw/zinc/13/13/25/354131325.db2.gz RKFWNIVATPJDTK-XDQVBPFNSA-N 1 0 223.360 2.434 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000344070397 354131664 /nfs/dbraw/zinc/13/16/64/354131664.db2.gz RKFWNIVATPJDTK-XUXIUFHCSA-N 1 0 223.360 2.434 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344032862 354096917 /nfs/dbraw/zinc/09/69/17/354096917.db2.gz DYRYZBAMPQUBHS-KGLIPLIRSA-N 1 0 223.360 2.436 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000336461731 181069498 /nfs/dbraw/zinc/06/94/98/181069498.db2.gz FLSIAACIRNNNSD-XHDPSFHLSA-N 1 0 242.322 2.499 20 30 BEEDRO N#Cc1c(F)cccc1NCC[N@H+]1CC=CCC1 ZINC000280121603 181075839 /nfs/dbraw/zinc/07/58/39/181075839.db2.gz CRCBBHXQRXEEKS-UHFFFAOYSA-N 1 0 245.301 2.371 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449689572 202000520 /nfs/dbraw/zinc/00/05/20/202000520.db2.gz KCZLLIVIQUWWTJ-YNEHKIRRSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000449694445 202002005 /nfs/dbraw/zinc/00/20/05/202002005.db2.gz BRXCJXXCFUQJIB-JHJVBQTASA-N 1 0 243.416 2.433 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000449696876 202004886 /nfs/dbraw/zinc/00/48/86/202004886.db2.gz JDFZCKAMMLWOMH-QWHCGFSZSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CCC1CC1 ZINC000449698158 202005038 /nfs/dbraw/zinc/00/50/38/202005038.db2.gz NBRZLSWRQMTFNS-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000449698807 202005228 /nfs/dbraw/zinc/00/52/28/202005228.db2.gz OUNIDEYJFAADGP-MCIONIFRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000449702332 202005262 /nfs/dbraw/zinc/00/52/62/202005262.db2.gz YWZCZEKYDDWZRC-HIFPTAJRSA-N 1 0 241.375 2.249 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CCCc1cnccc1C ZINC000449697030 202005336 /nfs/dbraw/zinc/00/53/36/202005336.db2.gz JRCCSBKXGWJCPE-OAHLLOKOSA-N 1 0 248.370 2.239 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000449696878 202005356 /nfs/dbraw/zinc/00/53/56/202005356.db2.gz JDFZCKAMMLWOMH-STQMWFEESA-N 1 0 241.375 2.251 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449715426 202007016 /nfs/dbraw/zinc/00/70/16/202007016.db2.gz AWIJTTRHEFYEIM-NWDGAFQWSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@H](C(=O)OC)[N@@H+](CC)CC(CC)CC ZINC000301021973 363333711 /nfs/dbraw/zinc/33/37/11/363333711.db2.gz KQGVMWCSESWFLB-GFCCVEGCSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1COC[C@H]1OCC ZINC000449727714 202009559 /nfs/dbraw/zinc/00/95/59/202009559.db2.gz RGNXUMPQZGZKMO-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[C@H]1O ZINC000449735031 202010702 /nfs/dbraw/zinc/01/07/02/202010702.db2.gz FRCDZQJXSUAFNP-MROQNXINSA-N 1 0 211.349 2.338 20 30 BEEDRO N#Cc1cc(C[N@@H+](CCO)C2CCC2)ccc1F ZINC000221150911 181085003 /nfs/dbraw/zinc/08/50/03/181085003.db2.gz OKRQTYAFDWEOIY-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)C1CCC1 ZINC000449739951 202015595 /nfs/dbraw/zinc/01/55/95/202015595.db2.gz MVIYCRVQURMUGO-QWHCGFSZSA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1cc(C[NH+]2CCCC2)ccc1F ZINC000117578257 181085181 /nfs/dbraw/zinc/08/51/81/181085181.db2.gz VTZXLIFFYDJHKH-UHFFFAOYSA-N 1 0 204.248 2.293 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C1CCC1 ZINC000449742050 202016399 /nfs/dbraw/zinc/01/63/99/202016399.db2.gz XRJTZBCSLVOPTK-GVXVVHGQSA-N 1 0 211.349 2.338 20 30 BEEDRO N#Cc1cc(Cl)ccc1NCCCC[NH3+] ZINC000308924821 181086869 /nfs/dbraw/zinc/08/68/69/181086869.db2.gz PVFVCPZFOBXMDE-UHFFFAOYSA-N 1 0 223.707 2.362 20 30 BEEDRO C=CCCCC(=O)N1[C@H](C)C[NH+](CC)C[C@H]1C ZINC000344410415 354252041 /nfs/dbraw/zinc/25/20/41/354252041.db2.gz BSBQOGFCLCDKTN-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(O)CCCC2)c(F)c1 ZINC000087028851 181107783 /nfs/dbraw/zinc/10/77/83/181107783.db2.gz VWBYCPNNACCLBR-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2CC2)cc1 ZINC000083893275 181108124 /nfs/dbraw/zinc/10/81/24/181108124.db2.gz XXVDYJUMJBDFLT-UHFFFAOYSA-N 1 0 200.285 2.448 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](CO)C2)o1 ZINC000342249697 181108445 /nfs/dbraw/zinc/10/84/45/181108445.db2.gz PIQMQYOUVTWPPF-VXGBXAGGSA-N 1 0 248.326 2.040 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000189928635 181109423 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181138184 /nfs/dbraw/zinc/13/81/84/181138184.db2.gz OFNLFKPUTPPWTE-OAHLLOKOSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2(CO)CCCC2)c1 ZINC000135071516 181138287 /nfs/dbraw/zinc/13/82/87/181138287.db2.gz OQAYTRCMZHBVNF-UHFFFAOYSA-N 1 0 244.338 2.201 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCCCF)c1 ZINC000336699998 181138306 /nfs/dbraw/zinc/13/83/06/181138306.db2.gz PEFTXKDUXJHUCE-UHFFFAOYSA-N 1 0 206.264 2.398 20 30 BEEDRO N#Cc1cccc(C2([NH2+]CCCF)CC2)c1 ZINC000271760465 181136617 /nfs/dbraw/zinc/13/66/17/181136617.db2.gz HTMKQDYXMOJNAB-UHFFFAOYSA-N 1 0 218.275 2.497 20 30 BEEDRO N#Cc1cccc(CC[NH2+]Cc2cccnc2)c1 ZINC000341472760 181136837 /nfs/dbraw/zinc/13/68/37/181136837.db2.gz DOUGUIYDJSKKFU-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO N#Cc1cccc(CC[NH2+]CC2=CCCOC2)c1 ZINC000341472749 181136852 /nfs/dbraw/zinc/13/68/52/181136852.db2.gz DLVNSCIIBGHBBG-UHFFFAOYSA-N 1 0 242.322 2.037 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000218999114 181137657 /nfs/dbraw/zinc/13/76/57/181137657.db2.gz ZKNATPYNFYSSBX-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639207591 354689693 /nfs/dbraw/zinc/68/96/93/354689693.db2.gz QQBRGRNYCHSUKG-STQMWFEESA-N 1 0 241.375 2.230 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000366918347 354805540 /nfs/dbraw/zinc/80/55/40/354805540.db2.gz WAQPSAPMHJYFIY-AWEZNQCLSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CC[N@@H+]1C[C@]2(C[C@@H]3CC[C@H]2C3)OC(C)(C)C1 ZINC000366924276 354833696 /nfs/dbraw/zinc/83/36/96/354833696.db2.gz WKCKXYFHYLXMGF-IPYPFGDCSA-N 1 0 233.355 2.289 20 30 BEEDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1CCCC(C)(C)C#N ZINC000351957909 134017322 /nfs/dbraw/zinc/01/73/22/134017322.db2.gz IRNNMQXSGDNSLK-QWHCGFSZSA-N 1 0 237.391 2.341 20 30 BEEDRO CCN1C[C@H](C)[N@H+](CCCCC#N)C[C@@H]1C ZINC000346171673 354868460 /nfs/dbraw/zinc/86/84/60/354868460.db2.gz FVBFAFVYWFAVCK-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000234531604 363424009 /nfs/dbraw/zinc/42/40/09/363424009.db2.gz CKYNNBKWDUBNAR-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](F)C[C@H]1CO ZINC000346361823 354918118 /nfs/dbraw/zinc/91/81/18/354918118.db2.gz MENPPUZFTBEMTO-NEPJUHHUSA-N 1 0 215.312 2.138 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000335176129 354945401 /nfs/dbraw/zinc/94/54/01/354945401.db2.gz ZFSPUORIIACKQU-UHFFFAOYSA-N 1 0 241.338 2.390 20 30 BEEDRO C=CCOc1ccc(CN2CC[C@H]([NH2+]C)C2)cc1 ZINC000346631780 354994059 /nfs/dbraw/zinc/99/40/59/354994059.db2.gz DKTJSTNVXHFWOC-AWEZNQCLSA-N 1 0 246.354 2.045 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc(C)n1 ZINC000335188677 355019489 /nfs/dbraw/zinc/01/94/89/355019489.db2.gz GJAOADPOAVASML-JSGCOSHPSA-N 1 0 229.327 2.480 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cc(C)n1 ZINC000335188678 355019557 /nfs/dbraw/zinc/01/95/57/355019557.db2.gz GJAOADPOAVASML-OCCSQVGLSA-N 1 0 229.327 2.480 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O ZINC000351995822 134033344 /nfs/dbraw/zinc/03/33/44/134033344.db2.gz RTKXFZBIYPISAR-OLZOCXBDSA-N 1 0 237.343 2.023 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](O)C[C@H]1c1ccccc1 ZINC000335247659 355163231 /nfs/dbraw/zinc/16/32/31/355163231.db2.gz GPHAWQNHUSJWEL-KBPBESRZSA-N 1 0 217.312 2.370 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000346958376 355167914 /nfs/dbraw/zinc/16/79/14/355167914.db2.gz QGHSFYHUVPYKTE-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000308614139 491074640 /nfs/dbraw/zinc/07/46/40/491074640.db2.gz OLPBEJNJJKHNPR-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000639232294 355213721 /nfs/dbraw/zinc/21/37/21/355213721.db2.gz GFRRNJRRWCQFPM-CRWXNKLISA-N 1 0 241.375 2.371 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000335241083 355175840 /nfs/dbraw/zinc/17/58/40/355175840.db2.gz PMTZDUKPLWKPKH-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1CCSCC1 ZINC000639239648 355223451 /nfs/dbraw/zinc/22/34/51/355223451.db2.gz YXDQGZKKVVZLCK-GFCCVEGCSA-N 1 0 229.389 2.046 20 30 BEEDRO C[N@H+](CCCCNc1cccnc1C#N)C1CC1 ZINC000413350169 191373918 /nfs/dbraw/zinc/37/39/18/191373918.db2.gz VOOBMQZRXUHUGG-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414097720 191431315 /nfs/dbraw/zinc/43/13/15/191431315.db2.gz PQPBGCTWSUODJC-MNOVXSKESA-N 1 0 219.332 2.445 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000336717940 358496156 /nfs/dbraw/zinc/49/61/56/358496156.db2.gz UUQSWXNUXFAEAW-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)=CCNC(=[NH2+])NC1CCCCC1 ZINC000191150255 355332566 /nfs/dbraw/zinc/33/25/66/355332566.db2.gz CCXQLTRISFGWQZ-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO CC1(C#N)CCN(CC[NH+]2CCCCC2)CC1 ZINC000335750924 355391957 /nfs/dbraw/zinc/39/19/57/355391957.db2.gz DOLHOCJOBUHRPV-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@H]1C[NH+](CC#CC[N@H+]2C[C@H](C)[C@H](C)C2)C[C@H]1C ZINC000583506656 355341120 /nfs/dbraw/zinc/34/11/20/355341120.db2.gz UGZKQHHAGCLCGO-GEEKYZPCSA-N 1 0 248.414 2.165 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000639275688 355352451 /nfs/dbraw/zinc/35/24/51/355352451.db2.gz QMQVVBZYMWDXKH-XUXIUFHCSA-N 1 0 241.375 2.228 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@H](CCO)C1 ZINC000087607125 355402277 /nfs/dbraw/zinc/40/22/77/355402277.db2.gz PTHWXQCYDJGIAM-ZDUSSCGKSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[N@@H+]1CCc2n[nH]cc2C1 ZINC000623239841 355397853 /nfs/dbraw/zinc/39/78/53/355397853.db2.gz VFFWTECZFPIFJR-QWRGUYRKSA-N 1 0 219.332 2.369 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000349756981 355461317 /nfs/dbraw/zinc/46/13/17/355461317.db2.gz JLEXPNYZSGFFQK-PWSUYJOCSA-N 1 0 248.301 2.285 20 30 BEEDRO COc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000349797456 355464073 /nfs/dbraw/zinc/46/40/73/355464073.db2.gz CGKNJNGGAWVHRF-DGCLKSJQSA-N 1 0 230.311 2.477 20 30 BEEDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000349797457 355464724 /nfs/dbraw/zinc/46/47/24/355464724.db2.gz CGKNJNGGAWVHRF-WCQYABFASA-N 1 0 230.311 2.477 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000349813222 355467849 /nfs/dbraw/zinc/46/78/49/355467849.db2.gz NNVLREZAJSUGPP-ZYHUDNBSSA-N 1 0 244.294 2.197 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3c2OCO3)C1 ZINC000349813220 355467865 /nfs/dbraw/zinc/46/78/65/355467865.db2.gz NNVLREZAJSUGPP-PWSUYJOCSA-N 1 0 244.294 2.197 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1O ZINC000349831812 355488117 /nfs/dbraw/zinc/48/81/17/355488117.db2.gz VTDMVACZRLQFPE-ZYHUDNBSSA-N 1 0 246.310 2.183 20 30 BEEDRO C[C@@H]1CN(CC#Cc2ccccc2)[C@@H](C)C[N@@H+]1C ZINC000335823378 355544489 /nfs/dbraw/zinc/54/44/89/355544489.db2.gz UOYLXLSISDHWEK-CABCVRRESA-N 1 0 242.366 2.063 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000335828269 355554290 /nfs/dbraw/zinc/55/42/90/355554290.db2.gz GGCQBTHMMLZLHW-TZMCWYRMSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCOc1cccc(CNC[C@@H]([NH3+])CC)c1 ZINC000414972237 191637378 /nfs/dbraw/zinc/63/73/78/191637378.db2.gz ANJXMTRZUOZNKJ-ZDUSSCGKSA-N 1 0 234.343 2.078 20 30 BEEDRO N#CCCCN1CCOc2ccc(F)cc2C1 ZINC000335873828 355641474 /nfs/dbraw/zinc/64/14/74/355641474.db2.gz JDYFFIZQCFNODU-UHFFFAOYSA-N 1 0 234.274 2.324 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@]2(OC)CCOC2)C1 ZINC000639310475 355669162 /nfs/dbraw/zinc/66/91/62/355669162.db2.gz PKXMBXMQTSVAGC-KBPBESRZSA-N 1 0 239.359 2.080 20 30 BEEDRO C[C@H]1CC[N@H+](CC2(C#N)CC2)C[C@@H]1n1ccnc1 ZINC000335896082 355690734 /nfs/dbraw/zinc/69/07/34/355690734.db2.gz IBYHKQSHTHDBRW-STQMWFEESA-N 1 0 244.342 2.070 20 30 BEEDRO C=CCC1([NH2+]Cc2ncc(C)o2)CCOCC1 ZINC000639314204 355701724 /nfs/dbraw/zinc/70/17/24/355701724.db2.gz HZLHCDHWZNUYCJ-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO C=CCC1([NH2+][C@@H](C)[C@H]2CCCO2)CCOCC1 ZINC000639316670 355702629 /nfs/dbraw/zinc/70/26/29/355702629.db2.gz XJPOZQCWNIYZCX-QWHCGFSZSA-N 1 0 239.359 2.269 20 30 BEEDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425348461 191817902 /nfs/dbraw/zinc/81/79/02/191817902.db2.gz FAGSIUMIZQKLFM-LNFKQOIKSA-N 1 0 210.346 2.162 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(OC)no1 ZINC000639325036 355726763 /nfs/dbraw/zinc/72/67/63/355726763.db2.gz QOHQVZWINVLKFM-ZJUUUORDSA-N 1 0 224.304 2.374 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351880 191790957 /nfs/dbraw/zinc/79/09/57/191790957.db2.gz SUCIYWVKAYHRIT-FIQHERPVSA-N 1 0 237.368 2.377 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CCC)[C@H]1CC1(C)C ZINC000417327043 191793215 /nfs/dbraw/zinc/79/32/15/191793215.db2.gz DMIZLYBMXVHLFG-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000639349270 355790647 /nfs/dbraw/zinc/79/06/47/355790647.db2.gz WXALEWRVTSPKMX-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)[C@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000399376441 355867749 /nfs/dbraw/zinc/86/77/49/355867749.db2.gz XVXDYCPZCKOHED-CYBMUJFWSA-N 1 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244.342 2.191 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000617783138 356354207 /nfs/dbraw/zinc/35/42/07/356354207.db2.gz UOTPQBWLKDSMDN-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(C)[C@H](C[NH3+])NCc1ccc(C#N)cc1 ZINC000420366575 192226140 /nfs/dbraw/zinc/22/61/40/192226140.db2.gz RLSQXAMCYPOQJC-ZDUSSCGKSA-N 1 0 231.343 2.021 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336147520 134103078 /nfs/dbraw/zinc/10/30/78/134103078.db2.gz IKSLNGMCTVNYHZ-NEPJUHHUSA-N 1 0 217.316 2.304 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H](C)COC)cc1 ZINC000020087442 356486010 /nfs/dbraw/zinc/48/60/10/356486010.db2.gz UBMYPWIBROXIBF-GFCCVEGCSA-N 1 0 235.327 2.376 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)Nc1cc(C#N)ccn1 ZINC000049502216 356469977 /nfs/dbraw/zinc/46/99/77/356469977.db2.gz JNVRTUFZWAFROA-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)Nc1cc(C#N)ccn1 ZINC000049502218 356470280 /nfs/dbraw/zinc/47/02/80/356470280.db2.gz JNVRTUFZWAFROA-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](OCCOC)C1 ZINC000179334325 366243429 /nfs/dbraw/zinc/24/34/29/366243429.db2.gz CCFQEALEOPJVEX-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO CC[N@H+](CCCCC(C)(C)C#N)C[C@H](C)O ZINC000352223577 134110279 /nfs/dbraw/zinc/11/02/79/134110279.db2.gz WPXSVABIMGJQMS-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CCN1Cc2ccccc2NC(=O)[C@@H]1C ZINC000623289095 356497276 /nfs/dbraw/zinc/49/72/76/356497276.db2.gz MFQSVXVWTUTANT-JTQLQIEISA-N 1 0 216.284 2.015 20 30 BEEDRO C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336169901 134114554 /nfs/dbraw/zinc/11/45/54/134114554.db2.gz WTNLFAKBBHVOBS-GWCFXTLKSA-N 1 0 243.310 2.476 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420950583 192278112 /nfs/dbraw/zinc/27/81/12/192278112.db2.gz GJMNLRGJFGWFRO-MELADBBJSA-N 1 0 241.375 2.203 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@]12CCOC2 ZINC000421007893 192297228 /nfs/dbraw/zinc/29/72/28/192297228.db2.gz AHQAQIGYRYYXJM-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421035038 192310896 /nfs/dbraw/zinc/31/08/96/192310896.db2.gz YYWYXGXATGDBPH-NWDGAFQWSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421035039 192311249 /nfs/dbraw/zinc/31/12/49/192311249.db2.gz YYWYXGXATGDBPH-RYUDHWBXSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421035037 192311495 /nfs/dbraw/zinc/31/14/95/192311495.db2.gz YYWYXGXATGDBPH-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000301763160 356564521 /nfs/dbraw/zinc/56/45/21/356564521.db2.gz VSACAPDGXAMLRZ-LBPRGKRZSA-N 1 0 230.311 2.411 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000639662488 356576540 /nfs/dbraw/zinc/57/65/40/356576540.db2.gz DXCZVAFSRNKXMQ-UPJWGTAASA-N 1 0 239.359 2.125 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]2C2CC2)o1 ZINC000336216131 134137072 /nfs/dbraw/zinc/13/70/72/134137072.db2.gz CJJZIEMAXHGDED-LBPRGKRZSA-N 1 0 202.257 2.136 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000336247002 134140864 /nfs/dbraw/zinc/14/08/64/134140864.db2.gz QUJDMNSEUGAQII-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CCC#C[C@@H](C)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000639743787 356635733 /nfs/dbraw/zinc/63/57/33/356635733.db2.gz UYZVRXWPGIGLDQ-MCIONIFRSA-N 1 0 222.376 2.203 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CCCC)C1=O ZINC000352410595 134143972 /nfs/dbraw/zinc/14/39/72/134143972.db2.gz RPFDMEMQRROZNC-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CC[NH2+][C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000352407846 134143975 /nfs/dbraw/zinc/14/39/75/134143975.db2.gz SEYPQBLLXZDAFW-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000336359481 134144558 /nfs/dbraw/zinc/14/45/58/134144558.db2.gz GOBPXHUUDCAGPH-BXUZGUMPSA-N 1 0 249.741 2.147 20 30 BEEDRO N#CCCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423027036 192544126 /nfs/dbraw/zinc/54/41/26/192544126.db2.gz CRZKSWRWQYHBAM-STQMWFEESA-N 1 0 215.300 2.025 20 30 BEEDRO C[C@H](CCC1CC1)[NH2+]C1CCN(CC#N)CC1 ZINC000613597726 363529769 /nfs/dbraw/zinc/52/97/69/363529769.db2.gz VVYCOXCYWHEPGC-GFCCVEGCSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCCCC[NH+]1CCC(F)(C#N)CC1 ZINC000352491471 134146719 /nfs/dbraw/zinc/14/67/19/134146719.db2.gz QIQZWBISQHTDKV-UHFFFAOYSA-N 1 0 209.268 2.008 20 30 BEEDRO C[C@H](O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000450299382 202123328 /nfs/dbraw/zinc/12/33/28/202123328.db2.gz POSFNYYXACQNRS-LBPRGKRZSA-N 1 0 244.338 2.294 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)CC1(CC#N)CC1 ZINC000088259343 356646913 /nfs/dbraw/zinc/64/69/13/356646913.db2.gz DKVVDHGSBLDIPB-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO CCO[C@@H]1CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000088259390 356646976 /nfs/dbraw/zinc/64/69/76/356646976.db2.gz WEPNNGZDAXDZES-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(OC)ccc1F ZINC000352819151 134152704 /nfs/dbraw/zinc/15/27/04/134152704.db2.gz XIOKIRAIHZOWDW-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000352815476 134152781 /nfs/dbraw/zinc/15/27/81/134152781.db2.gz MHCYOYMYLVISLX-UHFFFAOYSA-N 1 0 246.310 2.025 20 30 BEEDRO CC(C)[NH+]1CCC(N(C)CC2(C#N)CCC2)CC1 ZINC000450337683 202131710 /nfs/dbraw/zinc/13/17/10/202131710.db2.gz GYWCFEPCAVTBAH-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(Cl)CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000167736825 134153668 /nfs/dbraw/zinc/15/36/68/134153668.db2.gz PNWDLUAROHDIEY-NEPJUHHUSA-N 1 0 222.719 2.473 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000334154746 134154648 /nfs/dbraw/zinc/15/46/48/134154648.db2.gz SJGJJJSRMYYZPC-ZDUSSCGKSA-N 1 0 200.285 2.242 20 30 BEEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1CC=CCC1 ZINC000104177392 134159295 /nfs/dbraw/zinc/15/92/95/134159295.db2.gz BFHYLSHPPYEROB-NSHDSACASA-N 1 0 221.348 2.047 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)C2CCCC2)C1 ZINC000353480776 134163965 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/nfs/dbraw/zinc/16/72/84/134167284.db2.gz MTGUXOLWCUTMOG-XQQFMLRXSA-N 1 0 236.359 2.426 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)CC[C@@H](C)O ZINC000450462757 202172102 /nfs/dbraw/zinc/17/21/02/202172102.db2.gz IYZYEBUYJDSIFX-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639815228 356794365 /nfs/dbraw/zinc/79/43/65/356794365.db2.gz CFMDJRVKXCQRGL-ZDUSSCGKSA-N 1 0 234.347 2.271 20 30 BEEDRO CC[NH+]1CCC(N(C)CC2(C#N)CCC2)CC1 ZINC000450471877 202177788 /nfs/dbraw/zinc/17/77/88/202177788.db2.gz WRKYGBZHVKSXGV-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C1CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356265093 134177420 /nfs/dbraw/zinc/17/74/20/134177420.db2.gz DLTIIHCJLCFMEC-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO CC#CCN(C)CC[NH+](C(C)C)C(C)C ZINC000356382865 134178049 /nfs/dbraw/zinc/17/80/49/134178049.db2.gz KJPDWPPLNPQPSJ-UHFFFAOYSA-N 1 0 210.365 2.060 20 30 BEEDRO C[N@H+](CC1(C#N)CCC1)[C@@H](CO)C(C)(C)C ZINC000450588418 202204314 /nfs/dbraw/zinc/20/43/14/202204314.db2.gz BGCAAHZTFYCREU-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000389583323 356994554 /nfs/dbraw/zinc/99/45/54/356994554.db2.gz ICSXXOQEOOEWDG-UTUOFQBUSA-N 1 0 209.333 2.191 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC1 ZINC000389854139 357055280 /nfs/dbraw/zinc/05/52/80/357055280.db2.gz ACPUTJANNWLDRY-VXGBXAGGSA-N 1 0 204.317 2.458 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000385250245 357034586 /nfs/dbraw/zinc/03/45/86/357034586.db2.gz SATMMONZTDFYQZ-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C#C[C@H](CC)[NH2+]CC1(CC)CCOCC1 ZINC000389658214 357012064 /nfs/dbraw/zinc/01/20/64/357012064.db2.gz ZYHLMBVFRMTGDA-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)C[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000639875429 357065936 /nfs/dbraw/zinc/06/59/36/357065936.db2.gz OUWJWQCNSJOTGO-CQSZACIVSA-N 1 0 246.354 2.451 20 30 BEEDRO COC1(C[C@@H](C)[NH2+]C[C@@H](C)C#N)CCC1 ZINC000389945925 357073138 /nfs/dbraw/zinc/07/31/38/357073138.db2.gz QNOZYBMIULXRTH-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO COC1(C[C@H](C)[NH2+]C[C@@H](C)C#N)CCC1 ZINC000389945924 357073311 /nfs/dbraw/zinc/07/33/11/357073311.db2.gz QNOZYBMIULXRTH-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCCC#N ZINC000582415315 357140422 /nfs/dbraw/zinc/14/04/22/357140422.db2.gz NHTHMIZPDRTRFW-UKRRQHHQSA-N 1 0 246.354 2.434 20 30 BEEDRO C=CCC1(C(=O)NCCCC[NH+](C)C)CCC1 ZINC000358784164 134192286 /nfs/dbraw/zinc/19/22/86/134192286.db2.gz SJQXIHOZLRNSON-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@H](NCC[NH2+]C)c1ccco1 ZINC000423253016 192653868 /nfs/dbraw/zinc/65/38/68/192653868.db2.gz YEGXVLGSWQTDNV-NSHDSACASA-N 1 0 208.305 2.096 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccn(C)c2)C1 ZINC000628405650 357198762 /nfs/dbraw/zinc/19/87/62/357198762.db2.gz QLFKUSVWOKUGFD-LBPRGKRZSA-N 1 0 204.317 2.423 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cccn2C)C1 ZINC000628405297 357199629 /nfs/dbraw/zinc/19/96/29/357199629.db2.gz IHXYVIHXTKOXDR-LBPRGKRZSA-N 1 0 204.317 2.423 20 30 BEEDRO C=C(C)CN1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000358826090 134192919 /nfs/dbraw/zinc/19/29/19/134192919.db2.gz OYXCDOJUWHXEIA-OLZOCXBDSA-N 1 0 240.416 2.074 20 30 BEEDRO N#CCSCCC[NH2+]C1(C2CC2)CC1 ZINC000393685790 357292411 /nfs/dbraw/zinc/29/24/11/357292411.db2.gz PMQVKIBEZXHCQV-UHFFFAOYSA-N 1 0 210.346 2.165 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000393740939 357295592 /nfs/dbraw/zinc/29/55/92/357295592.db2.gz BSEXHSNAYNVHMM-NWDGAFQWSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000393783089 357299420 /nfs/dbraw/zinc/29/94/20/357299420.db2.gz WUPMCFCVUVOSGR-WDEREUQCSA-N 1 0 224.373 2.410 20 30 BEEDRO N#CCCCC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000359622251 134195857 /nfs/dbraw/zinc/19/58/57/134195857.db2.gz AJTVOWOPILFFCQ-CYBMUJFWSA-N 1 0 236.290 2.143 20 30 BEEDRO N#Cc1cncc(C[NH+]2CCCCCC2)c1 ZINC000260120957 538837838 /nfs/dbraw/zinc/83/78/38/538837838.db2.gz KUKBGNIWPVISEF-UHFFFAOYSA-N 1 0 215.300 2.329 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCN1CCCC1=O ZINC000582909749 357432788 /nfs/dbraw/zinc/43/27/88/357432788.db2.gz TUOHCDFJZPTHRI-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO COCCCC[NH+]1CCC(CC#N)CC1 ZINC000397193622 357507109 /nfs/dbraw/zinc/50/71/09/357507109.db2.gz MTROPGMUPABOQR-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CC[N@@H+](CC1(COC)CCC1)C1CC1 ZINC000361345062 134204670 /nfs/dbraw/zinc/20/46/70/134204670.db2.gz CULIJKIYHZPCFE-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)CC1CCCC1 ZINC000188632179 357569233 /nfs/dbraw/zinc/56/92/33/357569233.db2.gz WPQQLHYRCRSGBX-GXTWGEPZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[N@@H+](C[C@H](O)CC1CCCC1)C[C@H](C)C#N ZINC000188632197 357569693 /nfs/dbraw/zinc/56/96/93/357569693.db2.gz WPQQLHYRCRSGBX-TZMCWYRMSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000361420352 134204866 /nfs/dbraw/zinc/20/48/66/134204866.db2.gz AFTWKJLDDJYUFL-AWEZNQCLSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C)C1 ZINC000361540340 134206199 /nfs/dbraw/zinc/20/61/99/134206199.db2.gz IZQKPZHVDUGKPD-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000362295832 134209668 /nfs/dbraw/zinc/20/96/68/134209668.db2.gz AWPVFXXCPUMTSX-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO CC#CCCCC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000362300748 538876011 /nfs/dbraw/zinc/87/60/11/538876011.db2.gz NXPXAIJMRQCTSC-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO CC(C)(C#N)CCCC[NH+]1CCC(O)CC1 ZINC000232527679 357662830 /nfs/dbraw/zinc/66/28/30/357662830.db2.gz LWYCNJNSIGGRNV-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cncn1C(C)C ZINC000231801168 357636486 /nfs/dbraw/zinc/63/64/86/357636486.db2.gz ZEKBKBMASNFKLG-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(C#N)cc1 ZINC000063753857 357716070 /nfs/dbraw/zinc/71/60/70/357716070.db2.gz WBIJDRUPPCSJCX-UHFFFAOYSA-N 1 0 230.311 2.193 20 30 BEEDRO C=C(C)C[NH+]1CCC(c2nnc(CC)[nH]2)CC1 ZINC000190660402 357721375 /nfs/dbraw/zinc/72/13/75/357721375.db2.gz ZSJPSQMJXVJXFK-UHFFFAOYSA-N 1 0 234.347 2.123 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190337030 357701238 /nfs/dbraw/zinc/70/12/38/357701238.db2.gz QXVIPPYVHXRYQH-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000367449020 134215417 /nfs/dbraw/zinc/21/54/17/134215417.db2.gz MIQHTNCTWLEWGG-ZDUSSCGKSA-N 1 0 222.332 2.183 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000368058997 134217501 /nfs/dbraw/zinc/21/75/01/134217501.db2.gz BBGVLDJDJFFERF-KBPBESRZSA-N 1 0 234.318 2.347 20 30 BEEDRO C#CCC[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000368583260 134219465 /nfs/dbraw/zinc/21/94/65/134219465.db2.gz ZHEGTFXCJDHBPW-NEPJUHHUSA-N 1 0 209.358 2.370 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000368649489 134219717 /nfs/dbraw/zinc/21/97/17/134219717.db2.gz FRKHNPBFOAOILJ-OAHLLOKOSA-N 1 0 247.313 2.132 20 30 BEEDRO CC#CC[N@@H+](C)[C@H](COC)Cc1ccccc1 ZINC000191468254 357772460 /nfs/dbraw/zinc/77/24/60/357772460.db2.gz FWGZCJJOTMWXRH-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CC=CCC1 ZINC000191759383 357794044 /nfs/dbraw/zinc/79/40/44/357794044.db2.gz VREUEPYQEAJTLO-ZDUSSCGKSA-N 1 0 209.333 2.477 20 30 BEEDRO CC(C)(O)[C@H]1CCC[N@@H+]1CC#Cc1ccccc1 ZINC000192121355 357823047 /nfs/dbraw/zinc/82/30/47/357823047.db2.gz SIRGJISYYLSAOT-OAHLLOKOSA-N 1 0 243.350 2.273 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@]1(CO)CC(C)C ZINC000191651616 357781474 /nfs/dbraw/zinc/78/14/74/357781474.db2.gz XQGDZHUVDITPEC-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@@H](O)COC(C)C ZINC000398070794 357827816 /nfs/dbraw/zinc/82/78/16/357827816.db2.gz JDOVHFUDCUWALJ-CHWSQXEVSA-N 1 0 229.364 2.107 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000370495134 134226280 /nfs/dbraw/zinc/22/62/80/134226280.db2.gz QPHBRHUYQSHWAV-QWHCGFSZSA-N 1 0 235.327 2.396 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(C#N)ccc1F ZINC000235447038 357869658 /nfs/dbraw/zinc/86/96/58/357869658.db2.gz VNKQWMVNILHFLH-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@H]1C[N@H+](CCCCC(C)(C)C#N)CCO1 ZINC000235586477 357881119 /nfs/dbraw/zinc/88/11/19/357881119.db2.gz GNRMLGKCODIUFQ-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1COCC[N@@H+]1CCCCC(C)(C)C#N ZINC000235586825 357881330 /nfs/dbraw/zinc/88/13/30/357881330.db2.gz HYSQMQFIDPDLKB-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CCN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120201647 134228572 /nfs/dbraw/zinc/22/85/72/134228572.db2.gz NZGHJFMFWZWVJK-MRXNPFEDSA-N 1 0 248.414 2.454 20 30 BEEDRO CCN(CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)C#N ZINC000300404767 134228587 /nfs/dbraw/zinc/22/85/87/134228587.db2.gz WHZHWKPDYDOELD-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CO1 ZINC000398955672 357891725 /nfs/dbraw/zinc/89/17/25/357891725.db2.gz HUTQRDPDGBUIQQ-CQSZACIVSA-N 1 0 244.338 2.410 20 30 BEEDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000398985636 357892767 /nfs/dbraw/zinc/89/27/67/357892767.db2.gz HTKHBKVEDCHOFN-RISCZKNCSA-N 1 0 230.311 2.020 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(CC#N)cc1 ZINC000398984854 357892954 /nfs/dbraw/zinc/89/29/54/357892954.db2.gz AIIACFXIFQZKAX-CQSZACIVSA-N 1 0 232.327 2.267 20 30 BEEDRO COC1CC([NH2+]Cc2ccc(CC#N)cc2)C1 ZINC000399007911 357893400 /nfs/dbraw/zinc/89/34/00/357893400.db2.gz VLPRLFGSNGYCAA-UHFFFAOYSA-N 1 0 230.311 2.020 20 30 BEEDRO CC[C@H]1C[N@H+](CCCSCC#N)C[C@H](C)O1 ZINC000074990662 325273957 /nfs/dbraw/zinc/27/39/57/325273957.db2.gz JSSOGUUUFGGKEI-RYUDHWBXSA-N 1 0 242.388 2.133 20 30 BEEDRO CC[C@@](C)(O)C[NH+]1CCC(CCC#N)CC1 ZINC000399338720 357903469 /nfs/dbraw/zinc/90/34/69/357903469.db2.gz GLACIGITEPAXRO-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000584476955 357993443 /nfs/dbraw/zinc/99/34/43/357993443.db2.gz VNOHOMYVBQZSIT-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO CCC[C@@H]1C[C@@H]1NC(=[NH2+])N1CCC(C)CC1 ZINC000304345250 134237178 /nfs/dbraw/zinc/23/71/78/134237178.db2.gz DGHGIVPBWQRZQY-NEPJUHHUSA-N 1 0 223.364 2.222 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000610605268 358010973 /nfs/dbraw/zinc/01/09/73/358010973.db2.gz UHUZXNGPRZLIIB-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@H]1CCC[N@H+](CCCC(C)(C)C#N)[C@@H]1CO ZINC000305271728 134241048 /nfs/dbraw/zinc/24/10/48/134241048.db2.gz YLIXWFMXXSERID-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640000517 358036714 /nfs/dbraw/zinc/03/67/14/358036714.db2.gz NGZJGEFEGWKOTB-UONOGXRCSA-N 1 0 241.375 2.205 20 30 BEEDRO N#CCSCCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000378322483 134245988 /nfs/dbraw/zinc/24/59/88/134245988.db2.gz WJVJSVDHXTXRKE-LBPRGKRZSA-N 1 0 224.373 2.365 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnn(C)c1C(F)(F)F ZINC000123200156 134243127 /nfs/dbraw/zinc/24/31/27/134243127.db2.gz RYHNMRIKRJRRHK-UHFFFAOYSA-N 1 0 247.264 2.447 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cc[nH]c1 ZINC000336762972 491119526 /nfs/dbraw/zinc/11/95/26/491119526.db2.gz ONYWMYIZPJDXIH-UHFFFAOYSA-N 1 0 205.305 2.434 20 30 BEEDRO C[C@H]1C[C@@H](NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721037 363595990 /nfs/dbraw/zinc/59/59/90/363595990.db2.gz ARCWPPBLRJARFZ-WFASDCNBSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000378642460 134246428 /nfs/dbraw/zinc/24/64/28/134246428.db2.gz OVFRONRAXKPTOH-CQSZACIVSA-N 1 0 227.311 2.285 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H](C)Oc1ccccc1 ZINC000267409430 535389154 /nfs/dbraw/zinc/38/91/54/535389154.db2.gz HWMSRDSSSNBOQV-GFCCVEGCSA-N 1 0 249.358 2.110 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@]1(C)C(C)C ZINC000263147492 535390109 /nfs/dbraw/zinc/39/01/09/535390109.db2.gz OZOQOPSAJOSUFO-PWSUYJOCSA-N 1 0 211.353 2.078 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267425511 535390744 /nfs/dbraw/zinc/39/07/44/535390744.db2.gz LIWOIVAMLPCNRO-ZIAGYGMSSA-N 1 0 245.370 2.274 20 30 BEEDRO CC[C@H](C)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610675552 358063078 /nfs/dbraw/zinc/06/30/78/358063078.db2.gz GACHZLZZKRMNTG-UONOGXRCSA-N 1 0 237.391 2.198 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](CCO)C2)c1 ZINC000051896368 358092857 /nfs/dbraw/zinc/09/28/57/358092857.db2.gz WHHGSSJVVOWBCP-ZDUSSCGKSA-N 1 0 244.338 2.153 20 30 BEEDRO N#CCCC[NH+]1CCC(OCC2CC2)CC1 ZINC000360020439 134254738 /nfs/dbraw/zinc/25/47/38/134254738.db2.gz LQTZXJNUTUHDJK-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000076496223 325347030 /nfs/dbraw/zinc/34/70/30/325347030.db2.gz CZIGEGMXLWFXJY-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(C#N)c1 ZINC000610740569 358133719 /nfs/dbraw/zinc/13/37/19/358133719.db2.gz ICAKNASWLVYAFK-WFASDCNBSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(C#N)o1 ZINC000610740616 358133828 /nfs/dbraw/zinc/13/38/28/358133828.db2.gz RZHCYJJDTOKQFS-MNOVXSKESA-N 1 0 234.299 2.056 20 30 BEEDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813673 358189844 /nfs/dbraw/zinc/18/98/44/358189844.db2.gz PBRYMUGOJGTKPJ-NHAGDIPZSA-N 1 0 249.402 2.389 20 30 BEEDRO CC(C)CC[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813756 358189699 /nfs/dbraw/zinc/18/96/99/358189699.db2.gz RYVKZRPRSNZNAC-ZDUSSCGKSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCCC[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000172177249 134262599 /nfs/dbraw/zinc/26/25/99/134262599.db2.gz AUZRFUYTHAKATM-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1cccc(C#N)c1 ZINC000610830467 358210988 /nfs/dbraw/zinc/21/09/88/358210988.db2.gz WJJJFOFTIALAHA-SLEUVZQESA-N 1 0 243.354 2.159 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](CC)Oc1cccc(C)c1 ZINC000267712304 535423549 /nfs/dbraw/zinc/42/35/49/535423549.db2.gz TUDULDXIPMSSSM-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO CCNC(=[NH2+])NCc1c(C)cc(C)cc1C ZINC000264093560 535423562 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359214784 /nfs/dbraw/zinc/21/47/84/359214784.db2.gz NGRPGYZALOXTBN-WUHRBBMRSA-N 1 0 238.375 2.329 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)[C@@H]1C ZINC000247410289 359219131 /nfs/dbraw/zinc/21/91/31/359219131.db2.gz YSXCXOWTTVRERF-IJLUTSLNSA-N 1 0 205.305 2.160 20 30 BEEDRO COC(C)(C)C[N@H+](C)CC1(CC#N)CC1 ZINC000404228328 359311803 /nfs/dbraw/zinc/31/18/03/359311803.db2.gz DVBHFBWBWXUSDL-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000284963064 359319153 /nfs/dbraw/zinc/31/91/53/359319153.db2.gz FMCMKAFIJZUQCO-IUODEOHRSA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000248366387 359270326 /nfs/dbraw/zinc/27/03/26/359270326.db2.gz SAJFUYHZHMODIS-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]1CCC[C@@H](C[NH2+]C2CCN(CC#N)CC2)C1 ZINC000611257709 359274920 /nfs/dbraw/zinc/27/49/20/359274920.db2.gz AOXISYQHOLNEEL-UONOGXRCSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000292942820 359358303 /nfs/dbraw/zinc/35/83/03/359358303.db2.gz JXJVJQMGVXTXCV-UHFFFAOYSA-N 1 0 246.354 2.477 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000611372077 359350490 /nfs/dbraw/zinc/35/04/90/359350490.db2.gz WMBJSEDEGIYMPE-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCSCC#N)C[C@H]1F ZINC000611501491 359383220 /nfs/dbraw/zinc/38/32/20/359383220.db2.gz CYSIWKZXCQOZED-GHMZBOCLSA-N 1 0 230.352 2.313 20 30 BEEDRO C[C@H]1CC[N@H+](CCCSCC#N)C[C@@H]1F ZINC000611501493 359383873 /nfs/dbraw/zinc/38/38/73/359383873.db2.gz CYSIWKZXCQOZED-QWRGUYRKSA-N 1 0 230.352 2.313 20 30 BEEDRO CC(C)(C)[C@H](C[NH3+])NCc1cccc(C#N)c1 ZINC000580451901 359559516 /nfs/dbraw/zinc/55/95/16/359559516.db2.gz NFCOPLVPZNNQJA-ZDUSSCGKSA-N 1 0 231.343 2.021 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)C1CCCCC1 ZINC000308983434 491141837 /nfs/dbraw/zinc/14/18/37/491141837.db2.gz IXTURTCQUZLMIU-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000249036973 359623956 /nfs/dbraw/zinc/62/39/56/359623956.db2.gz STWUQGQKXKEIHH-MJBXVCDLSA-N 1 0 235.375 2.000 20 30 BEEDRO C=C(C)C[NH+]1CCC(OCCOCC)CC1 ZINC001641519810 1172258005 /nfs/dbraw/zinc/25/80/05/1172258005.db2.gz QCYGBCZJRBZOMI-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccccc1 ZINC000309014976 491142451 /nfs/dbraw/zinc/14/24/51/491142451.db2.gz UAISNRPIHUFHOL-DGCLKSJQSA-N 1 0 205.301 2.274 20 30 BEEDRO CC[N@@H+]1CCC[C@H](Nc2cc(C#N)cc(C)n2)C1 ZINC000160998225 359686657 /nfs/dbraw/zinc/68/66/57/359686657.db2.gz LNIPVBHGKUHNRB-ZDUSSCGKSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CC2CCOCC2)C1 ZINC000612161189 359710974 /nfs/dbraw/zinc/71/09/74/359710974.db2.gz OOCLTTFDAZGRRN-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)OCCN1CCC[C@](C)(C#N)C1 ZINC000612162000 359712193 /nfs/dbraw/zinc/71/21/93/359712193.db2.gz XOXUJYGJOWRQRY-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO COCC[C@H](C)[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612161641 359712279 /nfs/dbraw/zinc/71/22/79/359712279.db2.gz HNQFFERVSGIOOO-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC1CC[NH+](CCN2CCC[C@@](C)(C#N)C2)CC1 ZINC000612162529 359713707 /nfs/dbraw/zinc/71/37/07/359713707.db2.gz OLKBDRROIYFWQC-HNNXBMFYSA-N 1 0 249.402 2.344 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC001641550775 1172264368 /nfs/dbraw/zinc/26/43/68/1172264368.db2.gz RNVXMKHWQSVSBW-GFCCVEGCSA-N 1 0 219.332 2.176 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@](C)(C#N)C1 ZINC000612164445 359718666 /nfs/dbraw/zinc/71/86/66/359718666.db2.gz GFZDLJRJLAZFHO-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](C)CC2=CCCCC2)C1=O ZINC000450898428 202303676 /nfs/dbraw/zinc/30/36/76/202303676.db2.gz BRNWSZRLBKKZRM-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000309104714 491145001 /nfs/dbraw/zinc/14/50/01/491145001.db2.gz HLTGUAUXBAALFP-SECBINFHSA-N 1 0 201.273 2.227 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@](C)(F)C1 ZINC000451109570 202353258 /nfs/dbraw/zinc/35/32/58/202353258.db2.gz BAERMOHJYJIXHW-RYUDHWBXSA-N 1 0 215.312 2.138 20 30 BEEDRO CC1(C)CC[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000612409792 359836681 /nfs/dbraw/zinc/83/66/81/359836681.db2.gz RZJVASLYJQYOTQ-CYBMUJFWSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccnc(C#N)c1)[C@H]1CCCO1 ZINC000612491939 359865689 /nfs/dbraw/zinc/86/56/89/359865689.db2.gz POLMYHAJDUMBKS-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@](C)(F)C1 ZINC000451109571 202355740 /nfs/dbraw/zinc/35/57/40/202355740.db2.gz BAERMOHJYJIXHW-VXGBXAGGSA-N 1 0 215.312 2.138 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000309136267 491145380 /nfs/dbraw/zinc/14/53/80/491145380.db2.gz SCMPQQOLHPIJHO-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000309134570 491145393 /nfs/dbraw/zinc/14/53/93/491145393.db2.gz RULMGMHOXHLWHD-YNEHKIRRSA-N 1 0 209.333 2.336 20 30 BEEDRO 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CCOC(=O)CCCC[N@H+](C)CC(C)(C)C#N ZINC000433297452 201176515 /nfs/dbraw/zinc/17/65/15/201176515.db2.gz LMENRHGCAXSQOH-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629649969 361546632 /nfs/dbraw/zinc/54/66/32/361546632.db2.gz MOEIGRZOANEHNK-OLZOCXBDSA-N 1 0 210.365 2.258 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC)CC1 ZINC000153012777 201217547 /nfs/dbraw/zinc/21/75/47/201217547.db2.gz JQTXVQYQHBWHOX-LBPRGKRZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)CSC ZINC000153664321 201244813 /nfs/dbraw/zinc/24/48/13/201244813.db2.gz DURJVRHMCHUUIZ-RYUDHWBXSA-N 1 0 231.405 2.435 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cccnc1C ZINC000435752803 201285728 /nfs/dbraw/zinc/28/57/28/201285728.db2.gz ZWDKWBQLTPWBRB-GJZGRUSLSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC(C)(C)COC ZINC000435743659 201286059 /nfs/dbraw/zinc/28/60/59/201286059.db2.gz TYXMCCXHEAGARG-QWHCGFSZSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CCN(CCC[NH2+]C)Cc1ccccc1 ZINC000435868366 201291040 /nfs/dbraw/zinc/29/10/40/201291040.db2.gz DTLHFFDMLCLGKP-UHFFFAOYSA-N 1 0 218.344 2.284 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]Cc1cn(C)nn1 ZINC000310026855 491160333 /nfs/dbraw/zinc/16/03/33/491160333.db2.gz PUEYXDHXYXMWFX-NSHDSACASA-N 1 0 222.336 2.040 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000037110144 361677308 /nfs/dbraw/zinc/67/73/08/361677308.db2.gz PREBLLHXUVHXPM-LLVKDONJSA-N 1 0 245.326 2.227 20 30 BEEDRO C=CCOc1ccc(CN(C)CCC[NH2+]C)cc1 ZINC000435880405 201293707 /nfs/dbraw/zinc/29/37/07/201293707.db2.gz IVBBZHWRJUODBY-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO C[C@H](CC[NH+](C)C)Nc1c(C#N)cccc1C#N ZINC000436315246 201320225 /nfs/dbraw/zinc/32/02/25/201320225.db2.gz FOVQUOSIILGSMZ-LLVKDONJSA-N 1 0 242.326 2.182 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000155750833 201350832 /nfs/dbraw/zinc/35/08/32/201350832.db2.gz WTYRCVSNAHHDAQ-QWHCGFSZSA-N 1 0 209.333 2.025 20 30 BEEDRO 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COCC#CC[N@H+](C)[C@H](C)Cc1cccs1 ZINC001641980876 1172317565 /nfs/dbraw/zinc/31/75/65/1172317565.db2.gz PYVDUDPSKHCJJF-GFCCVEGCSA-N 1 0 237.368 2.261 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000134919419 364418783 /nfs/dbraw/zinc/41/87/83/364418783.db2.gz AVRWMOFWDPZVOB-VXGBXAGGSA-N 1 0 210.365 2.413 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000630749409 364534718 /nfs/dbraw/zinc/53/47/18/364534718.db2.gz QMXYJEXJJSRZOG-OLZOCXBDSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000630749411 364535291 /nfs/dbraw/zinc/53/52/91/364535291.db2.gz QMXYJEXJJSRZOG-STQMWFEESA-N 1 0 248.370 2.086 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615305896 364683399 /nfs/dbraw/zinc/68/33/99/364683399.db2.gz YHRYKXUUOKLMBK-OUCADQQQSA-N 1 0 238.375 2.140 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(O)c1)C(C)C ZINC000289677609 364768638 /nfs/dbraw/zinc/76/86/38/364768638.db2.gz ZNQCKRCLFOLFAD-CYBMUJFWSA-N 1 0 203.285 2.140 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000291284957 364771748 /nfs/dbraw/zinc/77/17/48/364771748.db2.gz VDZBSGIFZMTBJD-MRVPVSSYSA-N 1 0 229.274 2.412 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+]CC(C)(C)CCC#N ZINC000336890976 364790031 /nfs/dbraw/zinc/79/00/31/364790031.db2.gz IBDUJSFFEZUSRA-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000168217678 364882930 /nfs/dbraw/zinc/88/29/30/364882930.db2.gz GSCNQJAKLVXPHU-QWRGUYRKSA-N 1 0 224.348 2.065 20 30 BEEDRO Cc1ncccc1C[NH2+]C[C@@H](C)CCC#N ZINC000602723463 541385255 /nfs/dbraw/zinc/38/52/55/541385255.db2.gz AXTMNUFOUFRLCR-NSHDSACASA-N 1 0 217.316 2.420 20 30 BEEDRO CCO[C@H]1C[C@@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000574002213 364962065 /nfs/dbraw/zinc/96/20/65/364962065.db2.gz GGVUKRCJNAGPPD-KBPBESRZSA-N 1 0 230.311 2.134 20 30 BEEDRO C=CCOCC[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000383217695 541440821 /nfs/dbraw/zinc/44/08/21/541440821.db2.gz YPZBMORYCDJIBW-GFCCVEGCSA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](C)CS(=O)(=O)CC ZINC000574397793 365052899 /nfs/dbraw/zinc/05/28/99/365052899.db2.gz QEWCSZITLMFCIP-LBPRGKRZSA-N 1 0 247.404 2.098 20 30 BEEDRO C=CCCCC[NH+]1CCC(O)(C(F)F)CC1 ZINC000574248029 365019211 /nfs/dbraw/zinc/01/92/11/365019211.db2.gz JDQGQPGPXIBABB-UHFFFAOYSA-N 1 0 233.302 2.435 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1Cc2ccccc2C1 ZINC000574601674 365100536 /nfs/dbraw/zinc/10/05/36/365100536.db2.gz QAJJQSFWTLDROB-CVEARBPZSA-N 1 0 243.350 2.335 20 30 BEEDRO N#CCCCc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000574754829 365134933 /nfs/dbraw/zinc/13/49/33/365134933.db2.gz QFLANCHZSSMFMI-UHFFFAOYSA-N 1 0 242.282 2.042 20 30 BEEDRO C=CCSCC[NH2+]CC1(O)CCC(C)CC1 ZINC000574512648 365077399 /nfs/dbraw/zinc/07/73/99/365077399.db2.gz YNHASKJRDOOVJV-UHFFFAOYSA-N 1 0 243.416 2.436 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000443332730 193016820 /nfs/dbraw/zinc/01/68/20/193016820.db2.gz YGGOBCDZDJQBTF-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccc(C#N)o1 ZINC000443782396 193029446 /nfs/dbraw/zinc/02/94/46/193029446.db2.gz BTXHETJVKWFFFE-GYSYKLTISA-N 1 0 248.326 2.133 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H]2CCCOC2)ccc1C#N ZINC000443967812 193032627 /nfs/dbraw/zinc/03/26/27/193032627.db2.gz DINWBZPEKDQYIO-CQSZACIVSA-N 1 0 244.338 2.383 20 30 BEEDRO C=CCC1(C[NH2+]C[C@H](O)COCC)CCCC1 ZINC000575175374 365228336 /nfs/dbraw/zinc/22/83/36/365228336.db2.gz UVDSFIKYPMLISP-ZDUSSCGKSA-N 1 0 241.375 2.110 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOCC2CCC2)cc1 ZINC000575367717 365303761 /nfs/dbraw/zinc/30/37/61/365303761.db2.gz RFZOFERDAJINNT-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO C=CCN(CCC[NH2+]C)Cc1cccs1 ZINC000336698167 365358981 /nfs/dbraw/zinc/35/89/81/365358981.db2.gz MRQPXMQTZLXHHG-UHFFFAOYSA-N 1 0 224.373 2.346 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000336704847 365360555 /nfs/dbraw/zinc/36/05/55/365360555.db2.gz QTIVDOOMWUGWGH-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2ccco2)C1 ZINC000336708351 365361084 /nfs/dbraw/zinc/36/10/84/365361084.db2.gz QTPBIJZVPSVOGU-NEPJUHHUSA-N 1 0 218.300 2.494 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000379876379 365335138 /nfs/dbraw/zinc/33/51/38/365335138.db2.gz AJEIBIJONZTOAY-JHJVBQTASA-N 1 0 211.349 2.338 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000576045640 365463118 /nfs/dbraw/zinc/46/31/18/365463118.db2.gz JVZDQUUCGOALPH-RVMXOQNASA-N 1 0 224.348 2.065 20 30 BEEDRO CC1(C)CCC[C@H]1[NH2+]CCOCCC#N ZINC000339109180 365448066 /nfs/dbraw/zinc/44/80/66/365448066.db2.gz WQNQLBPGCZODJM-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1SCC ZINC000339182662 365451991 /nfs/dbraw/zinc/45/19/91/365451991.db2.gz ABKXGTUHEPTJTH-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccccc1)[C@H]1CCCOC1 ZINC000361766655 366954586 /nfs/dbraw/zinc/95/45/86/366954586.db2.gz OKQVAEOYBPPKCU-HOCLYGCPSA-N 1 0 243.350 2.443 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)[C@H](C)CC ZINC000183056690 366970943 /nfs/dbraw/zinc/97/09/43/366970943.db2.gz VWNBOUMJKXVTTP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)[C@@H](C)CC ZINC000183056707 366970983 /nfs/dbraw/zinc/97/09/83/366970983.db2.gz VWNBOUMJKXVTTP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183342016 367017163 /nfs/dbraw/zinc/01/71/63/367017163.db2.gz YZNJVORPEWJJOQ-CYBMUJFWSA-N 1 0 249.358 2.054 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CCCC)C1CCC1 ZINC000184873286 367104919 /nfs/dbraw/zinc/10/49/19/367104919.db2.gz UXELJGGBHJCFSY-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCOc1ccc(F)cc1 ZINC000068614788 370821012 /nfs/dbraw/zinc/82/10/12/370821012.db2.gz DKTWUAHCPMUDOM-LLVKDONJSA-N 1 0 236.290 2.486 20 30 BEEDRO Cc1nccc(NCC2(C#N)CC2)c1Cl ZINC000380356052 367190209 /nfs/dbraw/zinc/19/02/09/367190209.db2.gz WVCRIFKWTXUBTC-UHFFFAOYSA-N 1 0 221.691 2.181 20 30 BEEDRO CC1(C)CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068766861 370845487 /nfs/dbraw/zinc/84/54/87/370845487.db2.gz JOVRWIBEGHSVDB-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000581072343 367253898 /nfs/dbraw/zinc/25/38/98/367253898.db2.gz XUHOTNZMDZWPKB-NWDGAFQWSA-N 1 0 232.327 2.266 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(F)cc1 ZINC000194999974 367329584 /nfs/dbraw/zinc/32/95/84/367329584.db2.gz VTUBMLCBWUTIBA-UHFFFAOYSA-N 1 0 223.291 2.460 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccncc1C ZINC000581364366 367393985 /nfs/dbraw/zinc/39/39/85/367393985.db2.gz IFRZFZUSTBNZGK-KBPBESRZSA-N 1 0 232.327 2.071 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000381897604 367468030 /nfs/dbraw/zinc/46/80/30/367468030.db2.gz UDCRKNMJIFCVCN-SNVBAGLBSA-N 1 0 239.281 2.492 20 30 BEEDRO C=C1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000382530948 367533743 /nfs/dbraw/zinc/53/37/43/367533743.db2.gz HKJRCNVKZXAMGO-OLZOCXBDSA-N 1 0 236.359 2.073 20 30 BEEDRO C=C1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000382589199 367546946 /nfs/dbraw/zinc/54/69/46/367546946.db2.gz YGSBZLJMMRSXQT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000630898961 367553581 /nfs/dbraw/zinc/55/35/81/367553581.db2.gz FJVUVJBOUABOES-ZDUSSCGKSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC001642381769 1172354680 /nfs/dbraw/zinc/35/46/80/1172354680.db2.gz QFNWQXQSKZNSEP-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccoc1C(=O)OC ZINC000385041151 367777819 /nfs/dbraw/zinc/77/78/19/367777819.db2.gz NVNPFXNHCKGHMG-UHFFFAOYSA-N 1 0 237.299 2.368 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000385072684 367782891 /nfs/dbraw/zinc/78/28/91/367782891.db2.gz WUGFGWLEEYQKOG-SNVBAGLBSA-N 1 0 207.321 2.283 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385741959 367859968 /nfs/dbraw/zinc/85/99/68/367859968.db2.gz BVTFQSQDLUDTHS-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(C)CC[NH2+]C1CCC(C(=O)OC)CC1 ZINC000386694378 368011231 /nfs/dbraw/zinc/01/12/31/368011231.db2.gz LCNZYBYKTZIGRI-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000386835179 368025696 /nfs/dbraw/zinc/02/56/96/368025696.db2.gz INOTTYYHOJHTFX-GHMZBOCLSA-N 1 0 205.305 2.445 20 30 BEEDRO N#CC1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000441358277 201549391 /nfs/dbraw/zinc/54/93/91/201549391.db2.gz PHCNYKSMNCTCKT-RUXDESIVSA-N 1 0 236.359 2.333 20 30 BEEDRO CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccco1 ZINC000442651984 201582157 /nfs/dbraw/zinc/58/21/57/201582157.db2.gz QVRMPAPROKABPR-JHJVBQTASA-N 1 0 247.342 2.164 20 30 BEEDRO CC[C@](C)(O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443986681 201606262 /nfs/dbraw/zinc/60/62/62/201606262.db2.gz LIZBHHVGDBWEJO-AWEZNQCLSA-N 1 0 232.327 2.117 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCO)ccc1C#N ZINC000443996595 201606451 /nfs/dbraw/zinc/60/64/51/201606451.db2.gz UVKVIQCDAXJDPU-UHFFFAOYSA-N 1 0 246.354 2.365 20 30 BEEDRO CNC(=[NH2+])NCc1ccccc1OCCC(C)C ZINC000066246002 368642468 /nfs/dbraw/zinc/64/24/68/368642468.db2.gz LPTKKJONSIDRPD-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cccc(C#N)n1 ZINC000081595982 370902489 /nfs/dbraw/zinc/90/24/89/370902489.db2.gz YIDDLAXDJLTRRO-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[N@H+]1CCCC1(C)C ZINC000457054905 203003056 /nfs/dbraw/zinc/00/30/56/203003056.db2.gz MFSPTVBZYNXMNJ-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#Cc1cccnc1NCCC[NH+]1CCCCC1 ZINC000072751776 368780247 /nfs/dbraw/zinc/78/02/47/368780247.db2.gz WHDOAERLLRWLNW-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000616014885 368884764 /nfs/dbraw/zinc/88/47/64/368884764.db2.gz FHYILHTXIXWINL-RYUDHWBXSA-N 1 0 232.331 2.281 20 30 BEEDRO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccc(C#N)cc1 ZINC000054764488 369094233 /nfs/dbraw/zinc/09/42/33/369094233.db2.gz ZYUXVBYXNQYUCN-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C=CCCCC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000458235262 203148009 /nfs/dbraw/zinc/14/80/09/203148009.db2.gz XYDQSOMQRFARBT-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO COC[C@H](C)[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618741744 369207086 /nfs/dbraw/zinc/20/70/86/369207086.db2.gz IAVHNEIUSNAWAC-HZMBPMFUSA-N 1 0 230.311 2.170 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCCOC1 ZINC000618807980 369219334 /nfs/dbraw/zinc/21/93/34/369219334.db2.gz YERPFRXAXVMLMY-HIFRSBDPSA-N 1 0 242.322 2.314 20 30 BEEDRO N#Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CCCOC1 ZINC000618807982 369219815 /nfs/dbraw/zinc/21/98/15/369219815.db2.gz YERPFRXAXVMLMY-ZFWWWQNUSA-N 1 0 242.322 2.314 20 30 BEEDRO COC1CC([NH2+][C@H]2CCc3cc(C#N)ccc32)C1 ZINC000618831437 369223134 /nfs/dbraw/zinc/22/31/34/369223134.db2.gz SBIIPUFXHNONCR-PIMMBPRGSA-N 1 0 242.322 2.313 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3cc[nH]n3)C2)C1 ZINC000618903897 369236167 /nfs/dbraw/zinc/23/61/67/369236167.db2.gz FIOLQFJIOXXFPJ-AGIUHOORSA-N 1 0 244.342 2.281 20 30 BEEDRO C=CCC1(NC(=O)[C@H]2CCC[N@H+]2C)CCCC1 ZINC000619104521 369282625 /nfs/dbraw/zinc/28/26/25/369282625.db2.gz OQRISLYIVUPHHH-GFCCVEGCSA-N 1 0 236.359 2.086 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C1CC(OC(C)C)C1 ZINC000459307885 203253462 /nfs/dbraw/zinc/25/34/62/203253462.db2.gz ABEMMNSARVBPOJ-PNESKVBLSA-N 1 0 224.348 2.424 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CC(C(C)(C)C)C1 ZINC000459487069 203288758 /nfs/dbraw/zinc/28/87/58/203288758.db2.gz QDPKYZSCWOMWFK-CXQJBGSLSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCCC[NH+]1[C@@H](C)CN(CC)C[C@@H]1C ZINC000459482131 203289945 /nfs/dbraw/zinc/28/99/45/203289945.db2.gz QZQIXZKILOBXGG-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@@H+]1[C@H](C)CN(CC)C[C@@H]1C ZINC000459482127 203290437 /nfs/dbraw/zinc/29/04/37/203290437.db2.gz QZQIXZKILOBXGG-BETUJISGSA-N 1 0 210.365 2.367 20 30 BEEDRO CC(C)[C@H]([NH2+]CCCC#N)C1(CO)CCCC1 ZINC000459518048 203296711 /nfs/dbraw/zinc/29/67/11/203296711.db2.gz BGBSPRKJAVIRQQ-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459439488 203280024 /nfs/dbraw/zinc/28/00/24/203280024.db2.gz UBVGLALZMOYQGO-UHFFFAOYSA-N 1 0 233.315 2.068 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459585410 203306713 /nfs/dbraw/zinc/30/67/13/203306713.db2.gz PCZLNVPPNHBPRM-CYBMUJFWSA-N 1 0 225.332 2.226 20 30 BEEDRO CC[N@H+](CCCCC#N)[C@@H]1CCCOC1 ZINC000402846511 369392582 /nfs/dbraw/zinc/39/25/82/369392582.db2.gz QVKQKJCDMHZQLH-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H]1CCCOC1 ZINC000401470064 369363999 /nfs/dbraw/zinc/36/39/99/369363999.db2.gz OJFCSIAWUODJSP-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000459569014 203301746 /nfs/dbraw/zinc/30/17/46/203301746.db2.gz CPQHCXVXHJMJLU-WOPDTQHZSA-N 1 0 229.389 2.451 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000459635054 203326170 /nfs/dbraw/zinc/32/61/70/203326170.db2.gz PCHKKZRZZAOXHU-XQHKEYJVSA-N 1 0 222.332 2.224 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1cn(C)cn1 ZINC000459658913 203330769 /nfs/dbraw/zinc/33/07/69/203330769.db2.gz JLSQGOABSYDAID-RYUDHWBXSA-N 1 0 221.348 2.153 20 30 BEEDRO Cc1csc(C[NH2+]CC(C)(C)CC#N)n1 ZINC000459659927 203331207 /nfs/dbraw/zinc/33/12/07/203331207.db2.gz AGSIQEAFAKTCRA-UHFFFAOYSA-N 1 0 223.345 2.481 20 30 BEEDRO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)CC[N@@H+]1C ZINC000405067974 369443450 /nfs/dbraw/zinc/44/34/50/369443450.db2.gz CBVZWVOIJJDXGI-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000361597289 369448337 /nfs/dbraw/zinc/44/83/37/369448337.db2.gz XWLZOKYCZILCQS-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO CCOC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405217548 369449889 /nfs/dbraw/zinc/44/98/89/369449889.db2.gz JJIKXEQIIURKJF-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CSC1(C[NH2+]CC(C)(C)CC#N)CC1 ZINC000459684454 203338199 /nfs/dbraw/zinc/33/81/99/203338199.db2.gz CMQJZHDTRSCJQM-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccncc1F ZINC000459727601 203344071 /nfs/dbraw/zinc/34/40/71/203344071.db2.gz HIOZOBAKFVULSD-UHFFFAOYSA-N 1 0 221.279 2.250 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000459728315 203345146 /nfs/dbraw/zinc/34/51/46/203345146.db2.gz IRYUDQPSNLASRW-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000459733152 203345370 /nfs/dbraw/zinc/34/53/70/203345370.db2.gz AGPGHDAUDRKXFS-LPWJVIDDSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)c1ccn(C)n1 ZINC000459742249 203348672 /nfs/dbraw/zinc/34/86/72/203348672.db2.gz FVMILVHTSJYBKR-SDDRHHMPSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CC[NH2+]Cc1c(OC)cc(F)cc1OC ZINC000631032240 370969617 /nfs/dbraw/zinc/96/96/17/370969617.db2.gz XYLCJKCPHZBUMS-UHFFFAOYSA-N 1 0 225.263 2.119 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CCC1 ZINC000459772213 203359032 /nfs/dbraw/zinc/35/90/32/203359032.db2.gz HTMBQSHZNCBOOK-WOPDTQHZSA-N 1 0 204.317 2.458 20 30 BEEDRO Cc1c[nH]c(CN(C)Cc2cccc(C#N)c2)n1 ZINC000600110028 369507941 /nfs/dbraw/zinc/50/79/41/369507941.db2.gz VXWPCFHJTUKIGK-UHFFFAOYSA-N 1 0 240.310 2.222 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763306 203360991 /nfs/dbraw/zinc/36/09/91/203360991.db2.gz CCFDHBICWIXDHY-RNJOBUHISA-N 1 0 217.316 2.208 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1C#N ZINC000459766852 203361289 /nfs/dbraw/zinc/36/12/89/203361289.db2.gz PXLSPPXYVOFRRF-XBFCOCLRSA-N 1 0 229.327 2.175 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765993 203361470 /nfs/dbraw/zinc/36/14/70/203361470.db2.gz DMBNYJKQYBDLPJ-MROQNXINSA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccn(C)n1 ZINC000459768712 203363421 /nfs/dbraw/zinc/36/34/21/203363421.db2.gz ADBVYWZUFZCZRD-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1COC[C@H]1OC ZINC000459778186 203366251 /nfs/dbraw/zinc/36/62/51/203366251.db2.gz ZHWZHYXHXFQOKF-FRRDWIJNSA-N 1 0 227.348 2.125 20 30 BEEDRO Cn1ccc(C[N@@H+]2CCC[C@H](CC#N)C2)c1 ZINC000260043681 370967366 /nfs/dbraw/zinc/96/73/66/370967366.db2.gz NTLWPHGDDRLZRG-GFCCVEGCSA-N 1 0 217.316 2.151 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1cc(C#N)cs1 ZINC000600170411 369511350 /nfs/dbraw/zinc/51/13/50/369511350.db2.gz XWQQFNNJDCBVRH-SNVBAGLBSA-N 1 0 238.356 2.213 20 30 BEEDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)ccc1C#N ZINC000600190844 369513793 /nfs/dbraw/zinc/51/37/93/369513793.db2.gz IVWJEKGGMHIEBE-OKILXGFUSA-N 1 0 212.296 2.318 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC1CCC(C#N)CC1 ZINC000619669443 369520339 /nfs/dbraw/zinc/52/03/39/369520339.db2.gz LVKLHXXBPTXNAU-JXQTWKCFSA-N 1 0 244.342 2.350 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000459784699 203367532 /nfs/dbraw/zinc/36/75/32/203367532.db2.gz XVFSWCDUWGBLOQ-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000619673010 369521366 /nfs/dbraw/zinc/52/13/66/369521366.db2.gz BWUWUXAJGSENGU-CHWSQXEVSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C[C@H](C(=O)OC)N1CCc2cc(C)ccc2C1 ZINC000619722066 369552423 /nfs/dbraw/zinc/55/24/23/369552423.db2.gz XATSJKIXDMXMBO-CQSZACIVSA-N 1 0 245.322 2.081 20 30 BEEDRO CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1cccc(C#N)c1 ZINC000600712252 369561270 /nfs/dbraw/zinc/56/12/70/369561270.db2.gz WIMJGNWOVLBEFD-BYCMXARLSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711242 369561379 /nfs/dbraw/zinc/56/13/79/369561379.db2.gz RXGWUBMHHWPHRI-XUJVJEKNSA-N 1 0 243.354 2.349 20 30 BEEDRO CCCN(Cc1ccc(C#N)o1)C1CC[NH2+]CC1 ZINC000600768291 369562440 /nfs/dbraw/zinc/56/24/40/369562440.db2.gz HAARKAWGYCOUPU-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO N#CCN1CCC([NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000619753525 369572942 /nfs/dbraw/zinc/57/29/42/369572942.db2.gz KZPPIEJZPGNVSQ-CABCVRRESA-N 1 0 247.386 2.143 20 30 BEEDRO C=C(C)CN(CC)Cc1nnc(C)n1C1CC1 ZINC000157573202 326284202 /nfs/dbraw/zinc/28/42/02/326284202.db2.gz FZIQHPRWQWQMEJ-UHFFFAOYSA-N 1 0 234.347 2.319 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CCO1 ZINC000602015622 369736897 /nfs/dbraw/zinc/73/68/97/369736897.db2.gz OGLFAPNINCYVLM-JQWIXIFHSA-N 1 0 248.301 2.354 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(F)c2C#N)CO1 ZINC000602027644 369737824 /nfs/dbraw/zinc/73/78/24/369737824.db2.gz HEPPSLKWPSLPOF-LLVKDONJSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602024464 369738479 /nfs/dbraw/zinc/73/84/79/369738479.db2.gz NJKSBAOTUZHYPI-ZJUUUORDSA-N 1 0 236.290 2.210 20 30 BEEDRO CCC1(C[NH2+]Cc2cccc(F)c2C#N)COC1 ZINC000602023415 369738491 /nfs/dbraw/zinc/73/84/91/369738491.db2.gz JEQMKRLGXJXVEX-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO CC1(C)C[NH2+]CC[C@H](NCc2ccc(C#N)o2)C1 ZINC000601969200 369729070 /nfs/dbraw/zinc/72/90/70/369729070.db2.gz AMLBUQNMNIFEIF-NSHDSACASA-N 1 0 247.342 2.019 20 30 BEEDRO COC[C@H](C)C[NH2+]Cc1cccc(F)c1C#N ZINC000602008082 369733152 /nfs/dbraw/zinc/73/31/52/369733152.db2.gz QAMZYTNVESHDKW-SNVBAGLBSA-N 1 0 236.290 2.069 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(F)c2C#N)CCOC1 ZINC000602002788 369733571 /nfs/dbraw/zinc/73/35/71/369733571.db2.gz AVNVNSKYCGKAJG-AWEZNQCLSA-N 1 0 248.301 2.214 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2C#N)[C@@H](C)O1 ZINC000602016826 369735157 /nfs/dbraw/zinc/73/51/57/369735157.db2.gz HVPGNMJRVZAMAF-RULNRJAQSA-N 1 0 248.301 2.353 20 30 BEEDRO COC1(C[NH2+]Cc2cccc(F)c2C#N)CCC1 ZINC000602014589 369736426 /nfs/dbraw/zinc/73/64/26/369736426.db2.gz FKEVSNGWLMGUAG-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CCCF ZINC000602011204 369736615 /nfs/dbraw/zinc/73/66/15/369736615.db2.gz IIBHXHKXOFCBPJ-UHFFFAOYSA-N 1 0 210.227 2.147 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2CC(F)(F)C2)n1 ZINC000602672941 369839881 /nfs/dbraw/zinc/83/98/81/369839881.db2.gz SACILFVMLYHKTI-UHFFFAOYSA-N 1 0 237.253 2.088 20 30 BEEDRO CC(C)C[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602571825 369812473 /nfs/dbraw/zinc/81/24/73/369812473.db2.gz OTPFHJXBYDXISC-NSHDSACASA-N 1 0 217.316 2.477 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602567024 369815165 /nfs/dbraw/zinc/81/51/65/369815165.db2.gz SSXUHSOPWGOORA-MFKMUULPSA-N 1 0 215.300 2.231 20 30 BEEDRO CCC1(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602563116 369815192 /nfs/dbraw/zinc/81/51/92/369815192.db2.gz FIELCKSPJMAZBR-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO CC(C)=CC[NH2+]Cc1cccc(C#N)n1 ZINC000602631940 369832617 /nfs/dbraw/zinc/83/26/17/369832617.db2.gz GQUTXKJUTCZBCV-UHFFFAOYSA-N 1 0 201.273 2.009 20 30 BEEDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602649084 369833803 /nfs/dbraw/zinc/83/38/03/369833803.db2.gz SJMQAWAVTMGYEH-RYUDHWBXSA-N 1 0 229.327 2.479 20 30 BEEDRO CC(C)SCC[NH2+]Cc1cccc(C#N)n1 ZINC000602651987 369835097 /nfs/dbraw/zinc/83/50/97/369835097.db2.gz BSTFEWCYVKBDES-UHFFFAOYSA-N 1 0 235.356 2.184 20 30 BEEDRO CCOCC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602664652 369837057 /nfs/dbraw/zinc/83/70/57/369837057.db2.gz ORDSRTQNWZEHPW-UHFFFAOYSA-N 1 0 247.342 2.106 20 30 BEEDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(C#N)c(F)c1 ZINC000305846888 369785549 /nfs/dbraw/zinc/78/55/49/369785549.db2.gz SUVQMGMGMKAZTA-JTQLQIEISA-N 1 0 248.301 2.120 20 30 BEEDRO C[C@H]1CN(Cc2cccc(C#N)n2)C[C@H](C)S1 ZINC000602451439 369789944 /nfs/dbraw/zinc/78/99/44/369789944.db2.gz OONGPIVQHGIQIL-QWRGUYRKSA-N 1 0 247.367 2.279 20 30 BEEDRO C[C@H]1C[NH+](Cc2cccc(C#N)n2)C[C@@H]1C ZINC000602474008 369793314 /nfs/dbraw/zinc/79/33/14/369793314.db2.gz NORNMJJYLQNINX-QWRGUYRKSA-N 1 0 215.300 2.041 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602482024 369793974 /nfs/dbraw/zinc/79/39/74/369793974.db2.gz DOMSUCYYVMNKRF-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO CC(C)[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602488392 369794777 /nfs/dbraw/zinc/79/47/77/369794777.db2.gz WWAVLTHGRHVJDF-GFCCVEGCSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1cccc(C#N)n1 ZINC000602481730 369794935 /nfs/dbraw/zinc/79/49/35/369794935.db2.gz DDQJPJYDIQXYLY-GHMZBOCLSA-N 1 0 215.300 2.326 20 30 BEEDRO CO[C@@H](C[NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000602707995 369844931 /nfs/dbraw/zinc/84/49/31/369844931.db2.gz XLBYGBFHWOATOK-HNNXBMFYSA-N 1 0 244.338 2.115 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2CC=CC2)n1 ZINC000602720124 369847550 /nfs/dbraw/zinc/84/75/50/369847550.db2.gz ICKBGCSZFAPKQR-UHFFFAOYSA-N 1 0 213.284 2.009 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000602711981 369847627 /nfs/dbraw/zinc/84/76/27/369847627.db2.gz UBFLEIYCMPWGCI-XUJVJEKNSA-N 1 0 241.338 2.479 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)n2)CC1(F)F ZINC000602711942 369847906 /nfs/dbraw/zinc/84/79/06/369847906.db2.gz SUVZBJSUDABRTC-LLVKDONJSA-N 1 0 237.253 2.088 20 30 BEEDRO CC[C@@]1(O)CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000602742468 369848888 /nfs/dbraw/zinc/84/88/88/369848888.db2.gz ZEOKAAHQYHHZLG-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO CC[NH+]1CCC(CNc2ccnc(C#N)c2)CC1 ZINC000061812091 369858314 /nfs/dbraw/zinc/85/83/14/369858314.db2.gz HASBKWBUSGOHJG-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2ccnc(C#N)c2)C1 ZINC000061811883 369858349 /nfs/dbraw/zinc/85/83/49/369858349.db2.gz DCZYHHXJFVGKIX-GFCCVEGCSA-N 1 0 244.342 2.095 20 30 BEEDRO CC[C@H]1CN(Cc2cccc(C#N)c2)CC[C@H]1[NH3+] ZINC000251826875 369973444 /nfs/dbraw/zinc/97/34/44/369973444.db2.gz PQEHUDYAUASPFW-LSDHHAIUSA-N 1 0 243.354 2.117 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H](CC(C)C)C1 ZINC000307814709 370048240 /nfs/dbraw/zinc/04/82/40/370048240.db2.gz LGBGBEYMJVJXQS-RYUDHWBXSA-N 1 0 225.332 2.082 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621156938 370129070 /nfs/dbraw/zinc/12/90/70/370129070.db2.gz LKLFBPDLIFRTDM-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO N#Cc1ccc(N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000252880888 370138184 /nfs/dbraw/zinc/13/81/84/370138184.db2.gz YMSLNWQMCURLCC-QEJZJMRPSA-N 1 0 241.338 2.122 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCO[C@@H]1CCCC[C@H]1C ZINC000309757862 370256036 /nfs/dbraw/zinc/25/60/36/370256036.db2.gz LWVCWAOESBDDSL-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000309814580 370264648 /nfs/dbraw/zinc/26/46/48/370264648.db2.gz UZYGWOOXYFZEDS-NZEXEKPDSA-N 1 0 222.332 2.224 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1nccnc1C ZINC000621725718 370478732 /nfs/dbraw/zinc/47/87/32/370478732.db2.gz YOPYMVWOBHRBEW-LBPRGKRZSA-N 1 0 217.316 2.326 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cncc(OCC)c1 ZINC000621721198 370472025 /nfs/dbraw/zinc/47/20/25/370472025.db2.gz DWRQDIFZNDXUSY-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1C=CCCC1 ZINC000568501157 326360286 /nfs/dbraw/zinc/36/02/86/326360286.db2.gz FSEHBKHPMPXHMQ-NEPJUHHUSA-N 1 0 203.289 2.128 20 30 BEEDRO C[C@H]1CCC[C@@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC000078527245 370571950 /nfs/dbraw/zinc/57/19/50/370571950.db2.gz PZFQCGFSHBNWIA-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000070074511 371008459 /nfs/dbraw/zinc/00/84/59/371008459.db2.gz ZSLQPXDAJVLCFY-OCCSQVGLSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000623786732 371092875 /nfs/dbraw/zinc/09/28/75/371092875.db2.gz GLZYHAFVFDHVOC-MJBXVCDLSA-N 1 0 222.376 2.415 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]CCCCC#N)C1 ZINC000389994215 371184664 /nfs/dbraw/zinc/18/46/64/371184664.db2.gz PTGIPJIGTRCXOS-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO CC1(C)CN(Cc2ccc(C#N)o2)CCS1 ZINC000093504392 371176393 /nfs/dbraw/zinc/17/63/93/371176393.db2.gz MYVHBCAHLURPJD-UHFFFAOYSA-N 1 0 236.340 2.479 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623994877 371228564 /nfs/dbraw/zinc/22/85/64/371228564.db2.gz GRJHRYSWQPOWCB-YIYPIFLZSA-N 1 0 239.359 2.267 20 30 BEEDRO CC[C@@]1([NH2+]CCCC(C)(C)C#N)CCOC1 ZINC000390570718 371215973 /nfs/dbraw/zinc/21/59/73/371215973.db2.gz UYKOYNGVXZNLCS-CYBMUJFWSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623994875 371227975 /nfs/dbraw/zinc/22/79/75/371227975.db2.gz GRJHRYSWQPOWCB-MQYQWHSLSA-N 1 0 239.359 2.267 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000390756013 371231201 /nfs/dbraw/zinc/23/12/01/371231201.db2.gz HOMMHBCECPRTBS-NWDGAFQWSA-N 1 0 215.300 2.254 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000624003960 371240775 /nfs/dbraw/zinc/24/07/75/371240775.db2.gz PYCGUPFMJIPSQC-RFGFWPKPSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2cc(C)no2)CC1 ZINC000631064144 371243670 /nfs/dbraw/zinc/24/36/70/371243670.db2.gz IYKUUSHKFDUAOF-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H](C)CC(=O)N(C)C ZINC000624038146 371266361 /nfs/dbraw/zinc/26/63/61/371266361.db2.gz SXQQGKLQUASSJX-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000624215566 371402636 /nfs/dbraw/zinc/40/26/36/371402636.db2.gz RMRVZUFLKWTQRC-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)C(C)C 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C[C@@H](Nc1ccc(C#N)nc1)C(C)(C)C[NH+](C)C ZINC000133022321 371969269 /nfs/dbraw/zinc/96/92/69/371969269.db2.gz SGEHBFLKMGLRHJ-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO C[C@H](Nc1ccc(C#N)nc1)C(C)(C)C[NH+](C)C ZINC000133022095 371969384 /nfs/dbraw/zinc/96/93/84/371969384.db2.gz SGEHBFLKMGLRHJ-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1cn[nH]c1 ZINC000230937560 371977529 /nfs/dbraw/zinc/97/75/29/371977529.db2.gz DPMWTVIGQYKVQW-VIFPVBQESA-N 1 0 244.273 2.271 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000229577570 372168850 /nfs/dbraw/zinc/16/88/50/372168850.db2.gz KOZHBWJJJCWFEL-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[N@@H+](CC)CCC)C1 ZINC000631599827 372451138 /nfs/dbraw/zinc/45/11/38/372451138.db2.gz SBOXJPMZTCRDQS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631604028 372453937 /nfs/dbraw/zinc/45/39/37/372453937.db2.gz YOQPOTQMFPLGSA-IUODEOHRSA-N 1 0 246.354 2.233 20 30 BEEDRO CC(C)(C)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000172339089 372942725 /nfs/dbraw/zinc/94/27/25/372942725.db2.gz YYCRCEAPCJLJQY-UHFFFAOYSA-N 1 0 242.326 2.342 20 30 BEEDRO C=CCSCC[NH2+][C@H](COC)C(C)C ZINC000180458370 205659592 /nfs/dbraw/zinc/65/95/92/205659592.db2.gz WVKCXUCXVSPUSO-LLVKDONJSA-N 1 0 217.378 2.166 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)C1CCSCC1 ZINC000187544974 205804952 /nfs/dbraw/zinc/80/49/52/205804952.db2.gz ANEFGFSKRIRDEP-JQWIXIFHSA-N 1 0 229.389 2.045 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCOCC2CC2)C1 ZINC000192619411 205955939 /nfs/dbraw/zinc/95/59/39/205955939.db2.gz KNMCZSNIVXMDII-KBPBESRZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#Cc1ccc2ncc(C[NH2+]CCC3CC3)n2c1 ZINC000174606449 374248235 /nfs/dbraw/zinc/24/82/35/374248235.db2.gz RJQPKPDYOWKMLA-UHFFFAOYSA-N 1 0 240.310 2.096 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424200780 206036050 /nfs/dbraw/zinc/03/60/50/206036050.db2.gz RICIXILOKIHLGT-IGQOVBAYSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424200779 206034548 /nfs/dbraw/zinc/03/45/48/206034548.db2.gz RICIXILOKIHLGT-FQUUOJAGSA-N 1 0 236.359 2.473 20 30 BEEDRO COCc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000424202103 206034598 /nfs/dbraw/zinc/03/45/98/206034598.db2.gz SHFARSLSSJWEGU-WDEREUQCSA-N 1 0 234.299 2.208 20 30 BEEDRO C[C@H]1OCC[N@H+](CCCC(C)(C)C#N)[C@@H]1C ZINC000156207318 206075423 /nfs/dbraw/zinc/07/54/23/206075423.db2.gz ZEUKCUBETNRQEO-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO CCO[C@@H]1CC[N@H+](CC2(C#N)CCC2)C[C@@H]1C ZINC000451544950 206107543 /nfs/dbraw/zinc/10/75/43/206107543.db2.gz QLQQGHIZSRNWOM-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592567 206109211 /nfs/dbraw/zinc/10/92/11/206109211.db2.gz CFOBPMQGYVEHDM-ZIAGYGMSSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C(CC)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000451592565 206108680 /nfs/dbraw/zinc/10/86/80/206108680.db2.gz CFOBPMQGYVEHDM-KGLIPLIRSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCN(CCC#N)C1CC(OC(C)C)C1 ZINC000459493260 206132160 /nfs/dbraw/zinc/13/21/60/206132160.db2.gz OYQCVCDDUNHUOE-UHFFFAOYSA-N 1 0 222.332 2.344 20 30 BEEDRO C[NH+](C)CC(C)(C)NCc1ccc(F)cc1C#N ZINC000459545153 206133469 /nfs/dbraw/zinc/13/34/69/206133469.db2.gz FZOFVCYUUBLRIE-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO CCCCCCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC000059055277 1172499236 /nfs/dbraw/zinc/49/92/36/1172499236.db2.gz MLGWEQONQXQEBO-GFCCVEGCSA-N 1 0 247.404 2.124 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CCNC(C)=O ZINC000059090321 1172505721 /nfs/dbraw/zinc/50/57/21/1172505721.db2.gz OMIZOBZVCSOZKT-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO OCC[N@H+](CC#Cc1cccc(Cl)c1)C1CC1 ZINC000156115568 183063736 /nfs/dbraw/zinc/06/37/36/183063736.db2.gz OCAYPIPREGDPLY-UHFFFAOYSA-N 1 0 249.741 2.148 20 30 BEEDRO CCC[N@H+](CC)CC(=O)Nc1ccc(C#N)cc1 ZINC000037095041 169121863 /nfs/dbraw/zinc/12/18/63/169121863.db2.gz PZPMGHDIHQFCES-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CCC[N@H+](CC)CCNc1ncccc1C#N ZINC000080678015 169122543 /nfs/dbraw/zinc/12/25/43/169122543.db2.gz QYZIQKCNNWXWIJ-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc(C#N)nc1 ZINC000357774902 169124871 /nfs/dbraw/zinc/12/48/71/169124871.db2.gz MYBQMZQHALOUBB-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[NH+]1CCC(Nc2cccc(C#N)n2)CC1 ZINC000080117284 169190323 /nfs/dbraw/zinc/19/03/23/169190323.db2.gz GTJDZFXCVVQOFY-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000353971456 169196015 /nfs/dbraw/zinc/19/60/15/169196015.db2.gz JZYKYHKBNFSZBN-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC[N@@H+]1CC[C@H](CNc2cc(C#N)ccn2)C1 ZINC000283453576 169208285 /nfs/dbraw/zinc/20/82/85/169208285.db2.gz DVJNRIIVCGSFFY-CYBMUJFWSA-N 1 0 244.342 2.097 20 30 BEEDRO CCC[N@@H+]1CC[C@H](CNc2cccc(C#N)n2)C1 ZINC000299651475 169208951 /nfs/dbraw/zinc/20/89/51/169208951.db2.gz YIKRYQKEWBVTSN-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(C(=O)OCC)o1 ZINC000181259956 134334598 /nfs/dbraw/zinc/33/45/98/134334598.db2.gz FPHVXKAJGODSEE-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC001644391967 1172554257 /nfs/dbraw/zinc/55/42/57/1172554257.db2.gz KTACGVFKBVWRGN-GFCCVEGCSA-N 1 0 244.338 2.019 20 30 BEEDRO CC[C@H](C)C[N@H+](C)Cc1cc(C#N)ccn1 ZINC001644621220 1172577431 /nfs/dbraw/zinc/57/74/31/1172577431.db2.gz AUBQHFJPKRYDQA-NSHDSACASA-N 1 0 217.316 2.431 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC001644645676 1172579542 /nfs/dbraw/zinc/57/95/42/1172579542.db2.gz MMCVQUCPGQQVHH-CHWSQXEVSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC([NH+](C)C)CC1 ZINC000185106121 134374815 /nfs/dbraw/zinc/37/48/15/134374815.db2.gz RZKBGFFAHUNOLY-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCC)CC1 ZINC000047799509 383857710 /nfs/dbraw/zinc/85/77/10/383857710.db2.gz ZHKVJMOPJDECJR-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C[C@@H]1C ZINC000449495304 383873622 /nfs/dbraw/zinc/87/36/22/383873622.db2.gz OCPBFRVEVXWJFB-FZMZJTMJSA-N 1 0 248.326 2.398 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@@H]2CCCOC2)ccc1C#N ZINC000334439698 383877534 /nfs/dbraw/zinc/87/75/34/383877534.db2.gz LCWZNNLWKMPDRK-OAHLLOKOSA-N 1 0 244.338 2.478 20 30 BEEDRO C[C@@H]([NH3+])[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000127357839 383877580 /nfs/dbraw/zinc/87/75/80/383877580.db2.gz WXUQNVONEAVCHZ-ZJUUUORDSA-N 1 0 249.745 2.385 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc(C#N)o1 ZINC000288544387 383909722 /nfs/dbraw/zinc/90/97/22/383909722.db2.gz KZXQINVTKNDNOB-LBPRGKRZSA-N 1 0 249.358 2.361 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000560119062 383912768 /nfs/dbraw/zinc/91/27/68/383912768.db2.gz VVTOSNOQUKMSND-WHOHXGKFSA-N 1 0 210.321 2.224 20 30 BEEDRO C=CCCO[C@H](C)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647151471 383928757 /nfs/dbraw/zinc/92/87/57/383928757.db2.gz HARIOAVKUPOINV-ZJUUUORDSA-N 1 0 237.303 2.148 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@](C)(O)COC ZINC000518476620 383931496 /nfs/dbraw/zinc/93/14/96/383931496.db2.gz XFJAZNNMEOUJRD-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO CC(C)(C)OC1CC([NH2+]CC2(C#N)CC2)C1 ZINC000309670299 383890149 /nfs/dbraw/zinc/89/01/49/383890149.db2.gz JNHQIODUKNOYAU-UHFFFAOYSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000560220493 383981061 /nfs/dbraw/zinc/98/10/61/383981061.db2.gz WUWGLADFQKFCKC-NEPJUHHUSA-N 1 0 247.404 2.096 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)c1cc[nH]c(=O)c1 ZINC000339459381 383984912 /nfs/dbraw/zinc/98/49/12/383984912.db2.gz NMAMSGMUSLLSRQ-VIFPVBQESA-N 1 0 243.266 2.103 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](C#N)CCC#N)C1 ZINC000078316191 383988215 /nfs/dbraw/zinc/98/82/15/383988215.db2.gz BHEVTKRRMSOLBK-UPJWGTAASA-N 1 0 219.332 2.408 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1F ZINC000334983178 383990029 /nfs/dbraw/zinc/99/00/29/383990029.db2.gz YHEFYQKOLRDUGP-ZIAGYGMSSA-N 1 0 248.301 2.090 20 30 BEEDRO CCOc1cccc(CC[NH2+]CCC#N)c1 ZINC000583929763 383992991 /nfs/dbraw/zinc/99/29/91/383992991.db2.gz BOFLAMXTHNYJSB-UHFFFAOYSA-N 1 0 218.300 2.131 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000116926849 383941437 /nfs/dbraw/zinc/94/14/37/383941437.db2.gz HOXHYGFIILHAPK-JTQLQIEISA-N 1 0 219.284 2.470 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926269 134385965 /nfs/dbraw/zinc/38/59/65/134385965.db2.gz BQFHDXQIBBXAAD-UHFFFAOYSA-N 1 0 233.271 2.378 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1ccccc1C#N ZINC000287361961 384042943 /nfs/dbraw/zinc/04/29/43/384042943.db2.gz LYKUXRDGOWIBDH-GFCCVEGCSA-N 1 0 232.327 2.151 20 30 BEEDRO C#CCCN1CCO[C@@H](c2ccccc2F)C1 ZINC000363461384 384063467 /nfs/dbraw/zinc/06/34/67/384063467.db2.gz PNQODYLYXANQGH-CQSZACIVSA-N 1 0 233.286 2.222 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)NCc1ccc(C#N)o1 ZINC000135145972 384064934 /nfs/dbraw/zinc/06/49/34/384064934.db2.gz KJUMDMJWWQCDGI-GFCCVEGCSA-N 1 0 247.342 2.115 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)[C@H](C)COC ZINC000298914586 384080866 /nfs/dbraw/zinc/08/08/66/384080866.db2.gz NFTZAVOTSPHWER-GFCCVEGCSA-N 1 0 223.316 2.345 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000152931535 384081484 /nfs/dbraw/zinc/08/14/84/384081484.db2.gz RWTOJQDEOPXQIL-LLVKDONJSA-N 1 0 248.326 2.045 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@H](COC(C)C)C1 ZINC000560461152 384147954 /nfs/dbraw/zinc/14/79/54/384147954.db2.gz YUCMBTJXYRHIOL-ZDUSSCGKSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000449518116 384157299 /nfs/dbraw/zinc/15/72/99/384157299.db2.gz ILHJIVBTQJNFGV-MQYQWHSLSA-N 1 0 239.359 2.123 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000135209332 384172891 /nfs/dbraw/zinc/17/28/91/384172891.db2.gz ZBAXWPRYRMJNSB-RISCZKNCSA-N 1 0 230.311 2.073 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)COC)c1ccc(F)cc1 ZINC000309620683 384167862 /nfs/dbraw/zinc/16/78/62/384167862.db2.gz FBLZLKGYDUQJKY-GWCFXTLKSA-N 1 0 221.275 2.125 20 30 BEEDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)ccc1C#N ZINC000234993663 384168824 /nfs/dbraw/zinc/16/88/24/384168824.db2.gz BECVUALWSMTGOP-LLVKDONJSA-N 1 0 230.311 2.409 20 30 BEEDRO C#CCCC[NH2+][C@H](COC)c1ccccc1 ZINC000223721793 533041359 /nfs/dbraw/zinc/04/13/59/533041359.db2.gz UBABPJRRONZWMX-CQSZACIVSA-N 1 0 217.312 2.377 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1F ZINC000335162600 384171362 /nfs/dbraw/zinc/17/13/62/384171362.db2.gz YHEFYQKOLRDUGP-UONOGXRCSA-N 1 0 248.301 2.090 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)c(OC)c1)C1CC1 ZINC000299327029 384185509 /nfs/dbraw/zinc/18/55/09/384185509.db2.gz BFBBZHXPTLNPGL-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000344484723 384180327 /nfs/dbraw/zinc/18/03/27/384180327.db2.gz ORYHBGLYCQQHFR-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO C=CCCCC[N@@H+]1CCOCC2(CC2)C1 ZINC000569544868 384202071 /nfs/dbraw/zinc/20/20/71/384202071.db2.gz DFAAMAYXLMIRQM-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C#CCC[NH+]1CCC(C2CCOCC2)CC1 ZINC000372254824 533045672 /nfs/dbraw/zinc/04/56/72/533045672.db2.gz ICRBHEIPPLBNAT-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO CC[N@@H+](CC#Cc1cccc(Cl)c1)CCO ZINC000158461944 384232078 /nfs/dbraw/zinc/23/20/78/384232078.db2.gz VKUJAVWEDSYZQQ-UHFFFAOYSA-N 1 0 237.730 2.006 20 30 BEEDRO CC[C@]1(O)CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000336589283 384238005 /nfs/dbraw/zinc/23/80/05/384238005.db2.gz BJTVYLIFVJADHN-WFASDCNBSA-N 1 0 244.338 2.466 20 30 BEEDRO CC#CC[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000158484407 384238195 /nfs/dbraw/zinc/23/81/95/384238195.db2.gz JSWOALVKXQWJED-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000309701011 384215242 /nfs/dbraw/zinc/21/52/42/384215242.db2.gz MOTGVXJKWHLGMM-AWEZNQCLSA-N 1 0 212.296 2.368 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000187379053 384229827 /nfs/dbraw/zinc/22/98/27/384229827.db2.gz VEITZCOTUOCULI-DZGCQCFKSA-N 1 0 233.355 2.392 20 30 BEEDRO C=CCCCn1cc2c(n1)[C@H]([NH3+])CCC2 ZINC000644167827 384252368 /nfs/dbraw/zinc/25/23/68/384252368.db2.gz ZWZDGCBILNIRAO-LLVKDONJSA-N 1 0 205.305 2.185 20 30 BEEDRO C#CC[N@@H+](CCCCCO)C1CCCCC1 ZINC000490606276 384253945 /nfs/dbraw/zinc/25/39/45/384253945.db2.gz XCFPTYYEEJJLRP-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cccc2c1OCO2 ZINC000120849546 384259991 /nfs/dbraw/zinc/25/99/91/384259991.db2.gz MFNJBMGJSVPMQE-UHFFFAOYSA-N 1 0 249.310 2.098 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1Cc1ccccc1OC ZINC000069683542 384271646 /nfs/dbraw/zinc/27/16/46/384271646.db2.gz JDPICMKDOBUGNC-CQSZACIVSA-N 1 0 229.323 2.335 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](C#N)C1)[C@@H](O)C(F)F ZINC000449420229 384310763 /nfs/dbraw/zinc/31/07/63/384310763.db2.gz DUYFDENWJPPOCF-ZRUFSTJUSA-N 1 0 246.301 2.063 20 30 BEEDRO C#CCC[NH+]1CCN(c2ccccc2C)CC1 ZINC000299235385 533054397 /nfs/dbraw/zinc/05/43/97/533054397.db2.gz RWUQEEPHGRJGBU-UHFFFAOYSA-N 1 0 228.339 2.140 20 30 BEEDRO C[C@H](CNc1cc(C#N)ccn1)C[NH+]1CCCC1 ZINC000062075726 384319979 /nfs/dbraw/zinc/31/99/79/384319979.db2.gz WZJIQNIXSIOSME-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@@H]1C[C@H](NCc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693670 384283415 /nfs/dbraw/zinc/28/34/15/384283415.db2.gz DDOXLMLHTGCNHL-GHMZBOCLSA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@@H]1CSCC[N@@H+]1CCCSCC#N ZINC000173897617 384285765 /nfs/dbraw/zinc/28/57/65/384285765.db2.gz RHKAQWXVHFJQJO-SNVBAGLBSA-N 1 0 230.402 2.071 20 30 BEEDRO C#CC[N@@H+](CCC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000490700393 384342902 /nfs/dbraw/zinc/34/29/02/384342902.db2.gz SLXBBHGXCZCXPM-JHJVBQTASA-N 1 0 221.344 2.145 20 30 BEEDRO C#CCN(CC#CC)Cc1ccccc1[N+](=O)[O-] ZINC000490700343 384343043 /nfs/dbraw/zinc/34/30/43/384343043.db2.gz SCVWFOJWTUWQPS-UHFFFAOYSA-N 1 0 242.278 2.053 20 30 BEEDRO C#CCC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000376558847 533056199 /nfs/dbraw/zinc/05/61/99/533056199.db2.gz QNMKZXDHJUIIIF-OCCSQVGLSA-N 1 0 214.312 2.488 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300359393 384358168 /nfs/dbraw/zinc/35/81/68/384358168.db2.gz IRKLYMIWVCUBPU-UHTWSYAYSA-N 1 0 209.333 2.498 20 30 BEEDRO CC[C@H](C[NH2+]Cc1ccc(C#N)cc1F)OC ZINC000310497293 384364438 /nfs/dbraw/zinc/36/44/38/384364438.db2.gz QCGJRUFPEBHXER-GFCCVEGCSA-N 1 0 236.290 2.212 20 30 BEEDRO Cc1cc(C[N@@H+]2CCCO[C@H](C)C2)ccc1C#N ZINC000335765106 384371034 /nfs/dbraw/zinc/37/10/34/384371034.db2.gz YERBGOHTHNYBLG-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)N(C)C1CC1 ZINC000174357216 384323477 /nfs/dbraw/zinc/32/34/77/384323477.db2.gz MMVFJRUJQIKCRN-LBPRGKRZSA-N 1 0 237.391 2.389 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](O)c1cc(C)cc(C)c1 ZINC000490743009 384373123 /nfs/dbraw/zinc/37/31/23/384373123.db2.gz ZVGOYTYLCVNSHQ-HNNXBMFYSA-N 1 0 231.339 2.292 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000308832355 384332772 /nfs/dbraw/zinc/33/27/72/384332772.db2.gz USTUYIQMWHWQFC-VXGBXAGGSA-N 1 0 208.349 2.167 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000134478873 384334725 /nfs/dbraw/zinc/33/47/25/384334725.db2.gz FCXDVRNNXMJDQB-JTQLQIEISA-N 1 0 234.299 2.056 20 30 BEEDRO C=CCCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000102323634 384405523 /nfs/dbraw/zinc/40/55/23/384405523.db2.gz YMIBGBWIQYIZAJ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H](O)C[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000165231548 384405567 /nfs/dbraw/zinc/40/55/67/384405567.db2.gz MKKQGDOPDXLHNG-VHSXEESVSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000248888365 384407916 /nfs/dbraw/zinc/40/79/16/384407916.db2.gz YERPFRJEJIBGPL-RWMBFGLXSA-N 1 0 237.343 2.226 20 30 BEEDRO CC#CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000159458517 384416590 /nfs/dbraw/zinc/41/65/90/384416590.db2.gz BOPDBURWOKGOPE-UHFFFAOYSA-N 1 0 228.339 2.222 20 30 BEEDRO C=C(CC)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000313489873 384418479 /nfs/dbraw/zinc/41/84/79/384418479.db2.gz TXBRPQOSGHDHSO-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO CSC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000076768693 384384069 /nfs/dbraw/zinc/38/40/69/384384069.db2.gz LBXZIFILFBICSZ-SNVBAGLBSA-N 1 0 220.341 2.399 20 30 BEEDRO COCC1([N@H+](C)Cc2ccc(C#N)c(F)c2)CC1 ZINC000616768798 384456195 /nfs/dbraw/zinc/45/61/95/384456195.db2.gz NAYWDPUVZDISGK-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](CC(C)C)OC ZINC000568181392 384464907 /nfs/dbraw/zinc/46/49/07/384464907.db2.gz RQXLGQGTQYNTMY-NEPJUHHUSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000336130686 384509191 /nfs/dbraw/zinc/50/91/91/384509191.db2.gz UYFCDZIBAANHCF-HZMBPMFUSA-N 1 0 248.301 2.212 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)Cc1cccnc1 ZINC001645156804 1172638959 /nfs/dbraw/zinc/63/89/59/1172638959.db2.gz FGSKRYMITHHTHJ-LBPRGKRZSA-N 1 0 202.301 2.315 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[S@@](C)=O ZINC000449240953 384493493 /nfs/dbraw/zinc/49/34/93/384493493.db2.gz QCHZUHDVUPHUIA-YWPYICTPSA-N 1 0 231.405 2.478 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000370728892 533069125 /nfs/dbraw/zinc/06/91/25/533069125.db2.gz FFNRFJUIHQFSDH-HUUCEWRRSA-N 1 0 246.329 2.184 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000236624556 384534194 /nfs/dbraw/zinc/53/41/94/384534194.db2.gz RPCHHFHDHZHOLZ-AWEZNQCLSA-N 1 0 238.375 2.244 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000643794295 384535048 /nfs/dbraw/zinc/53/50/48/384535048.db2.gz WLNLFWAEGMPARK-CRWXNKLISA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCC(=O)NCC ZINC000150886242 384517388 /nfs/dbraw/zinc/51/73/88/384517388.db2.gz JZXDQWZBPFWWQM-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000335883170 384554545 /nfs/dbraw/zinc/55/45/45/384554545.db2.gz MNXLKBAMQJTVLG-DGCLKSJQSA-N 1 0 215.300 2.172 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CN1C1CC1 ZINC000449446921 384555318 /nfs/dbraw/zinc/55/53/18/384555318.db2.gz UOFWOPYYIMBRGI-ZOBORPQBSA-N 1 0 247.386 2.284 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000151352429 384561165 /nfs/dbraw/zinc/56/11/65/384561165.db2.gz RBAHVJUOJIJXFH-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000643794298 384537433 /nfs/dbraw/zinc/53/74/33/384537433.db2.gz WLNLFWAEGMPARK-XUXIUFHCSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000643794297 384537916 /nfs/dbraw/zinc/53/79/16/384537916.db2.gz WLNLFWAEGMPARK-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO CCN(CCC#N)Cc1ccc(OC)c(OC)c1 ZINC000049899931 384574375 /nfs/dbraw/zinc/57/43/75/384574375.db2.gz HFRBVYNWPCYDSW-UHFFFAOYSA-N 1 0 248.326 2.439 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000309745065 384577958 /nfs/dbraw/zinc/57/79/58/384577958.db2.gz FIVUQQZOHRXRIK-SGMGOOAPSA-N 1 0 222.376 2.271 20 30 BEEDRO Cn1cc(C[NH2+]CC(C2CC2)C2CC2)cc1C#N ZINC000232315416 259654113 /nfs/dbraw/zinc/65/41/13/259654113.db2.gz HVYSXAGYEJOJGP-UHFFFAOYSA-N 1 0 243.354 2.423 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCC1(CO)CC1 ZINC000449580037 384588315 /nfs/dbraw/zinc/58/83/15/384588315.db2.gz MIEYNORXXXWDJE-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO CO[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000309586443 384564000 /nfs/dbraw/zinc/56/40/00/384564000.db2.gz RXSDIWBCKURPSQ-RWMBFGLXSA-N 1 0 224.348 2.329 20 30 BEEDRO CCOC[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000176325377 384604199 /nfs/dbraw/zinc/60/41/99/384604199.db2.gz OQRGETWTRONLAO-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]CCCOC)cc1 ZINC000151656000 384606915 /nfs/dbraw/zinc/60/69/15/384606915.db2.gz FGFLCURRRQXLMV-ZDUSSCGKSA-N 1 0 247.338 2.386 20 30 BEEDRO C=CCOCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403265741 384613608 /nfs/dbraw/zinc/61/36/08/384613608.db2.gz ZDIPPPYGHJJCSJ-FRRDWIJNSA-N 1 0 209.333 2.215 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCc1ccc(F)cc1Cl ZINC000309601884 384619086 /nfs/dbraw/zinc/61/90/86/384619086.db2.gz WUZVMRLRAKSRML-NSHDSACASA-N 1 0 243.709 2.158 20 30 BEEDRO CN(CCC[NH+]1CCCC1)c1ccc(C#N)cc1 ZINC000061955482 384619246 /nfs/dbraw/zinc/61/92/46/384619246.db2.gz LEGQPTINZVMRHR-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO C=C(C)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000162452169 384623463 /nfs/dbraw/zinc/62/34/63/384623463.db2.gz UVYKZXQFKDPLRY-UHFFFAOYSA-N 1 0 229.327 2.478 20 30 BEEDRO CC[N@H+](CCCOC(C)C)C[C@H](C)C#N ZINC000171500814 384594272 /nfs/dbraw/zinc/59/42/72/384594272.db2.gz AIPFWIJPXKIXJY-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO C=CCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000309835152 384653338 /nfs/dbraw/zinc/65/33/38/384653338.db2.gz ZZTWINAWDOODEX-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000135469339 384722891 /nfs/dbraw/zinc/72/28/91/384722891.db2.gz QRTVSHJMGFDFRS-MFKMUULPSA-N 1 0 200.285 2.304 20 30 BEEDRO C=CCNC(=O)C[N@@H+]([C@H](C)[C@H](C)CC)C1CC1 ZINC000104965994 384725198 /nfs/dbraw/zinc/72/51/98/384725198.db2.gz MCLBHWXRLLHCLA-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]([NH2+]CCC1CC(O)C1)c1cccc(C#N)c1 ZINC000432409856 384678521 /nfs/dbraw/zinc/67/85/21/384678521.db2.gz JQNNNTVFURTZCQ-XIKARTHZSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC1(C[NH2+]Cc2cnnn2C)CCCC1 ZINC000449604114 384690071 /nfs/dbraw/zinc/69/00/71/384690071.db2.gz JMURXQVENKFWFU-UHFFFAOYSA-N 1 0 234.347 2.041 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000491785131 384692714 /nfs/dbraw/zinc/69/27/14/384692714.db2.gz SBNBCDXRTQUIRQ-SNVBAGLBSA-N 1 0 249.285 2.066 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000132088613 384718296 /nfs/dbraw/zinc/71/82/96/384718296.db2.gz ZTISHYOPSBFRFC-TZMCWYRMSA-N 1 0 243.354 2.208 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC1(C(=O)OCC)CC1 ZINC000309947782 384731985 /nfs/dbraw/zinc/73/19/85/384731985.db2.gz DYNDTFDUDMAWFS-NSHDSACASA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2CC)nn1 ZINC000643902265 384779442 /nfs/dbraw/zinc/77/94/42/384779442.db2.gz MKJZFIJCGVEYHA-DGCLKSJQSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000518156665 384748508 /nfs/dbraw/zinc/74/85/08/384748508.db2.gz LZJZZLFJFADUGT-CHWSQXEVSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@H]2CC)nn1 ZINC000643902267 384779585 /nfs/dbraw/zinc/77/95/85/384779585.db2.gz MKJZFIJCGVEYHA-YPMHNXCESA-N 1 0 234.347 2.132 20 30 BEEDRO COC1CC([NH2+]CC2CCC(C#N)CC2)C1 ZINC000309971582 384748950 /nfs/dbraw/zinc/74/89/50/384748950.db2.gz PUNZFKMNBYWNMM-UHFFFAOYSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000449626162 384757346 /nfs/dbraw/zinc/75/73/46/384757346.db2.gz DCTWJKVYRRGRIT-VTPLQMEGSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000309977666 384758264 /nfs/dbraw/zinc/75/82/64/384758264.db2.gz UMQLUWOZTNXUGJ-SRVKXCTJSA-N 1 0 225.332 2.272 20 30 BEEDRO Cn1cccc1C[NH2+]Cc1ccc(C#N)cc1F ZINC000119116233 384765797 /nfs/dbraw/zinc/76/57/97/384765797.db2.gz LKMPJXIHNZMXGK-UHFFFAOYSA-N 1 0 243.285 2.326 20 30 BEEDRO CCOC(=O)[C@H](C)[N@H+](CCCCC#N)C1CC1 ZINC000190845776 384817287 /nfs/dbraw/zinc/81/72/87/384817287.db2.gz JVIUVZPJNWUTHR-NSHDSACASA-N 1 0 238.331 2.096 20 30 BEEDRO CC#CCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000155954228 384783434 /nfs/dbraw/zinc/78/34/34/384783434.db2.gz RAVBQPBBNCVWQS-INIZCTEOSA-N 1 0 243.350 2.382 20 30 BEEDRO CC#CC[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(CC)CC ZINC000310023856 384788700 /nfs/dbraw/zinc/78/87/00/384788700.db2.gz OLPRNAKGIQIYJG-UPJWGTAASA-N 1 0 223.360 2.439 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H]1COCCO1 ZINC000310014527 384798096 /nfs/dbraw/zinc/79/80/96/384798096.db2.gz KIBCVYAECFKIGQ-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(C)C[N@H+](CCC1CCCCC1)CC(N)=O ZINC000101567742 384798798 /nfs/dbraw/zinc/79/87/98/384798798.db2.gz JWIGBLBAIJORGR-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000310033800 384798911 /nfs/dbraw/zinc/79/89/11/384798911.db2.gz SFCYAICIDALCSC-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO CCCNC(=[NH2+])NCc1c(C)cc(C)cc1C ZINC000104165337 384807899 /nfs/dbraw/zinc/80/78/99/384807899.db2.gz UZBDKAICIFOTAE-UHFFFAOYSA-N 1 0 233.359 2.426 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)c1ccc(C)cc1 ZINC000104193948 384810046 /nfs/dbraw/zinc/81/00/46/384810046.db2.gz XBNDCLIBFVYQON-UHFFFAOYSA-N 1 0 245.370 2.363 20 30 BEEDRO CCCC(N)=NOCc1csc(C)n1 ZINC000105605723 384874509 /nfs/dbraw/zinc/87/45/09/384874509.db2.gz YQKCUOPWZCTGED-UHFFFAOYSA-N 1 0 213.306 2.040 20 30 BEEDRO CCCC(N)=NOCC(=O)Nc1ccc(C)cc1 ZINC000105605246 384874977 /nfs/dbraw/zinc/87/49/77/384874977.db2.gz SUOBFDSALYRUMO-UHFFFAOYSA-N 1 0 249.314 2.022 20 30 BEEDRO CCCC(N)=NOCc1cccc(NC(C)=O)c1 ZINC000105605955 384876426 /nfs/dbraw/zinc/87/64/26/384876426.db2.gz QGLZPDBKPHYVOV-UHFFFAOYSA-N 1 0 249.314 2.234 20 30 BEEDRO N#CC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000104679820 384839568 /nfs/dbraw/zinc/83/95/68/384839568.db2.gz QIZXQTFRBIGDSS-UHFFFAOYSA-N 1 0 246.358 2.289 20 30 BEEDRO CCC(CC)C[N@@H+](CCC#N)C[C@@H](O)CC ZINC000177032212 384848753 /nfs/dbraw/zinc/84/87/53/384848753.db2.gz NCWAEQGGVIRHGT-ZDUSSCGKSA-N 1 0 226.364 2.409 20 30 BEEDRO CCCN(CC#N)CCC[NH+]1CCCCC1 ZINC000161153927 384851912 /nfs/dbraw/zinc/85/19/12/384851912.db2.gz XGXIFNASDGRLLQ-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO C=CC[C@H](CC)[NH2+]CCCc1cnn(C)c1 ZINC000314201392 384852479 /nfs/dbraw/zinc/85/24/79/384852479.db2.gz SSMXNAOTXYPJOM-ZDUSSCGKSA-N 1 0 221.348 2.297 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C#N)s1 ZINC000179371866 384860674 /nfs/dbraw/zinc/86/06/74/384860674.db2.gz IHRQOCSMVGBTQS-SECBINFHSA-N 1 0 224.329 2.086 20 30 BEEDRO C[C@H](C[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000135483169 384868250 /nfs/dbraw/zinc/86/82/50/384868250.db2.gz CPSTZCJORFPBGT-SECBINFHSA-N 1 0 204.273 2.287 20 30 BEEDRO C=C[C@H](CC(=O)NCC[C@H](C)[NH3+])c1ccccc1 ZINC000580315841 384951315 /nfs/dbraw/zinc/95/13/15/384951315.db2.gz PVIKCPJRUYZRDZ-QWHCGFSZSA-N 1 0 246.354 2.200 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC(F)(F)CC1 ZINC000647201365 384899509 /nfs/dbraw/zinc/89/95/09/384899509.db2.gz KJWQVZDXJWVZJK-SNVBAGLBSA-N 1 0 219.275 2.091 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449678536 384900548 /nfs/dbraw/zinc/90/05/48/384900548.db2.gz BHLZYTOMRBMQGF-MCIONIFRSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000448199493 384904250 /nfs/dbraw/zinc/90/42/50/384904250.db2.gz BPKVQGFQDRYWJF-OCCSQVGLSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1Cc2ccccc2[C@H]1O ZINC000297751590 384907172 /nfs/dbraw/zinc/90/71/72/384907172.db2.gz DUJNMHYXDRBDLN-LSDHHAIUSA-N 1 0 229.323 2.319 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000306387457 384909450 /nfs/dbraw/zinc/90/94/50/384909450.db2.gz UEPMEFUFSIXRBZ-DBIOUOCHSA-N 1 0 210.346 2.020 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000297751585 384910506 /nfs/dbraw/zinc/91/05/06/384910506.db2.gz DUJNMHYXDRBDLN-GJZGRUSLSA-N 1 0 229.323 2.319 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(CC#N)CC2)cn1 ZINC000083854265 384911965 /nfs/dbraw/zinc/91/19/65/384911965.db2.gz NGNPFVPJNGIXSM-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO [NH2+]=C(NCc1ccc(O)cc1)NC1CCCCC1 ZINC000104160512 384936380 /nfs/dbraw/zinc/93/63/80/384936380.db2.gz VRPIYYVMVYAEIR-UHFFFAOYSA-N 1 0 247.342 2.129 20 30 BEEDRO C[C@@H](O)C[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000127715598 384938597 /nfs/dbraw/zinc/93/85/97/384938597.db2.gz HKUHXNKCKITBGW-GFCCVEGCSA-N 1 0 246.354 2.300 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000309977665 384986781 /nfs/dbraw/zinc/98/67/81/384986781.db2.gz UMQLUWOZTNXUGJ-SDDRHHMPSA-N 1 0 225.332 2.272 20 30 BEEDRO Cc1ccnc(N[C@@H](C[NH3+])C2CCCC2)c1C#N ZINC000235943154 384986918 /nfs/dbraw/zinc/98/69/18/384986918.db2.gz WLUPGIORRVKICY-ZDUSSCGKSA-N 1 0 244.342 2.191 20 30 BEEDRO CC[NH+](CC)CCCNc1cc(C)nc(C#N)c1 ZINC000308271558 384994413 /nfs/dbraw/zinc/99/44/13/384994413.db2.gz AQYMINDTPKJUHQ-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000107884618 385004404 /nfs/dbraw/zinc/00/44/04/385004404.db2.gz XOGODLJPHHZQDN-NWDGAFQWSA-N 1 0 249.745 2.263 20 30 BEEDRO C#CC[N@@H+](CCOCC)Cc1ccc(F)cc1 ZINC000062363743 385008882 /nfs/dbraw/zinc/00/88/82/385008882.db2.gz BWYYWQUWSWQJNK-UHFFFAOYSA-N 1 0 235.302 2.297 20 30 BEEDRO CSCCCC[NH2+]C[C@@H](C#N)CCC#N ZINC000569352390 385023351 /nfs/dbraw/zinc/02/33/51/385023351.db2.gz NIRZVKWYRAGTML-LLVKDONJSA-N 1 0 225.361 2.163 20 30 BEEDRO CN(Cc1ccc(C#N)s1)Cc1cnccn1 ZINC000179660236 385018051 /nfs/dbraw/zinc/01/80/51/385018051.db2.gz PNUYHOFKGKGVKA-UHFFFAOYSA-N 1 0 244.323 2.042 20 30 BEEDRO COC[C@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234712017 385019289 /nfs/dbraw/zinc/01/92/89/385019289.db2.gz SGFZRPJLXDVGST-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO C=C(Cl)C[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000298058450 385085191 /nfs/dbraw/zinc/08/51/91/385085191.db2.gz GANMTEQMCSZRGH-UHFFFAOYSA-N 1 0 244.766 2.120 20 30 BEEDRO C=CCCCCCN(C)Cc1nnc(C)n1C ZINC000150877406 385069436 /nfs/dbraw/zinc/06/94/36/385069436.db2.gz TYPBQPLYKAWQBJ-UHFFFAOYSA-N 1 0 236.363 2.302 20 30 BEEDRO C=CCN1CCC[C@@H]([N@H+](C)CC=C)CC1 ZINC000156948576 385030011 /nfs/dbraw/zinc/03/00/11/385030011.db2.gz AAXRPHPHOOMGNA-CYBMUJFWSA-N 1 0 208.349 2.145 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404103413 385112181 /nfs/dbraw/zinc/11/21/81/385112181.db2.gz XKCHWURLAUEITO-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO C=C(Br)C[NH2+]C1CCCC1 ZINC000037680864 385128842 /nfs/dbraw/zinc/12/88/42/385128842.db2.gz KZLUWTZDMKELIR-UHFFFAOYSA-N 1 0 204.111 2.427 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000313010670 385129869 /nfs/dbraw/zinc/12/98/69/385129869.db2.gz LFPSMKUBGHVERE-AWEZNQCLSA-N 1 0 229.323 2.053 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000306572817 385094491 /nfs/dbraw/zinc/09/44/91/385094491.db2.gz PMVGFDCCDFPHAT-SNVBAGLBSA-N 1 0 248.164 2.396 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCCC#N)[C@H](C)C1 ZINC000308773125 385095402 /nfs/dbraw/zinc/09/54/02/385095402.db2.gz YFFDIEAWGVAITG-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1O ZINC000341004177 385102951 /nfs/dbraw/zinc/10/29/51/385102951.db2.gz AGTRADXGGDHHCA-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@H](CO)[N@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000599431481 385105235 /nfs/dbraw/zinc/10/52/35/385105235.db2.gz ZKMQMCDWOSUOIX-CQSZACIVSA-N 1 0 232.327 2.069 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1(C)CCC1 ZINC000424175092 385107144 /nfs/dbraw/zinc/10/71/44/385107144.db2.gz PGZWZWQTCIOZGZ-RYUDHWBXSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccc(C#N)cc1 ZINC000189284236 385149290 /nfs/dbraw/zinc/14/92/90/385149290.db2.gz GWDJNNWEUQQEIP-LNSITVRQSA-N 1 0 244.338 2.370 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000308834117 385200483 /nfs/dbraw/zinc/20/04/83/385200483.db2.gz HMSURRVKRUSRIO-NSHDSACASA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@](C)(O)CC ZINC000298104588 385167647 /nfs/dbraw/zinc/16/76/47/385167647.db2.gz LSJGMFOJHHJUDA-OAHLLOKOSA-N 1 0 249.329 2.422 20 30 BEEDRO CO[C@](C)(C[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000291098175 385208105 /nfs/dbraw/zinc/20/81/05/385208105.db2.gz ZJJKHJDAXYBICC-CYBMUJFWSA-N 1 0 234.299 2.056 20 30 BEEDRO Cn1cc(C[NH2+]C[C@@H]2CC=CCC2)cc1C#N ZINC000189591417 385213735 /nfs/dbraw/zinc/21/37/35/385213735.db2.gz HKKHASCHBBLQBB-GFCCVEGCSA-N 1 0 229.327 2.343 20 30 BEEDRO CC#CC[N@@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000157540833 385215837 /nfs/dbraw/zinc/21/58/37/385215837.db2.gz YASVAYSCNSZVRP-UHFFFAOYSA-N 1 0 231.295 2.261 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CCCC#N)CCO1 ZINC000308860314 385222617 /nfs/dbraw/zinc/22/26/17/385222617.db2.gz RFPKVBXYYKPELO-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCCC#N)CCO1 ZINC000308860312 385222700 /nfs/dbraw/zinc/22/27/00/385222700.db2.gz RFPKVBXYYKPELO-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2ccc(C#N)s2)C1 ZINC000130157783 385225382 /nfs/dbraw/zinc/22/53/82/385225382.db2.gz RYRPFGLTPFDOIR-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000308871615 385228933 /nfs/dbraw/zinc/22/89/33/385228933.db2.gz KAWQWBDZSLWGOR-UPJWGTAASA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CCOCC1 ZINC000177901807 385252979 /nfs/dbraw/zinc/25/29/79/385252979.db2.gz VURLNLJWYYCIAF-GFCCVEGCSA-N 1 0 244.338 2.463 20 30 BEEDRO Cc1cccc(C)c1CC[NH+]=C(N(C)C)N(C)C ZINC000153442983 385254271 /nfs/dbraw/zinc/25/42/71/385254271.db2.gz RUZAEXQITVRLLZ-UHFFFAOYSA-N 1 0 247.386 2.325 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1CCC(F)(F)CC1 ZINC000647306438 385205351 /nfs/dbraw/zinc/20/53/51/385205351.db2.gz QUDAGUUDNCJMKF-LLVKDONJSA-N 1 0 233.302 2.481 20 30 BEEDRO C#CC[N@H+]1CC[C@H](c2ccccc2OC)C1 ZINC000157916612 385303704 /nfs/dbraw/zinc/30/37/04/385303704.db2.gz FPWBKHZUMYLNSX-LBPRGKRZSA-N 1 0 215.296 2.118 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000247260470 385308371 /nfs/dbraw/zinc/30/83/71/385308371.db2.gz VGOLDMMNNXXQPU-NWDGAFQWSA-N 1 0 235.352 2.269 20 30 BEEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCCC#N ZINC000130561572 385261821 /nfs/dbraw/zinc/26/18/21/385261821.db2.gz CLQONHWGOSZHJY-LBPRGKRZSA-N 1 0 232.331 2.467 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644732064 385271441 /nfs/dbraw/zinc/27/14/41/385271441.db2.gz IBVIDPHLHXMPDR-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000491264102 385273605 /nfs/dbraw/zinc/27/36/05/385273605.db2.gz FAUIWNOMAMBEAT-CQSZACIVSA-N 1 0 239.322 2.374 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H](C)[C@@H]1CO ZINC000189696691 385287024 /nfs/dbraw/zinc/28/70/24/385287024.db2.gz GFEWAZHZTXDGPN-NHYWBVRUSA-N 1 0 244.338 2.069 20 30 BEEDRO CCCCCCCC[N@@H+]1CCNC(=O)CC1 ZINC000157874309 385299064 /nfs/dbraw/zinc/29/90/64/385299064.db2.gz CVPZCDZLHQWDBU-UHFFFAOYSA-N 1 0 226.364 2.169 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cscn1 ZINC000280549734 385332915 /nfs/dbraw/zinc/33/29/15/385332915.db2.gz DQLLCAQHXJZROA-PWSUYJOCSA-N 1 0 238.356 2.214 20 30 BEEDRO CC(C)[N@H+](C)CCCNc1ccc(C#N)cn1 ZINC000221680905 385356958 /nfs/dbraw/zinc/35/69/58/385356958.db2.gz QCIQEPPTRXIFRY-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO CCC1(C[NH2+]CCCC#N)CCOCC1 ZINC000309000540 385361345 /nfs/dbraw/zinc/36/13/45/385361345.db2.gz RKRJPGYLJGTUPN-UHFFFAOYSA-N 1 0 210.321 2.087 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000309048504 385382657 /nfs/dbraw/zinc/38/26/57/385382657.db2.gz PPJKJCIYNMSAOR-WDEREUQCSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000228074328 385325388 /nfs/dbraw/zinc/32/53/88/385325388.db2.gz CYDCXGRZCBLFCY-CQSZACIVSA-N 1 0 244.338 2.195 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000309077342 385399412 /nfs/dbraw/zinc/39/94/12/385399412.db2.gz LYYINRWCFXXFMF-IJLUTSLNSA-N 1 0 229.389 2.043 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000309072880 385404034 /nfs/dbraw/zinc/40/40/34/385404034.db2.gz GRTFAGVNHQYQBF-UHFFFAOYSA-N 1 0 219.210 2.094 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1([S@@](C)=O)CC1 ZINC000309166674 385446929 /nfs/dbraw/zinc/44/69/29/385446929.db2.gz JHDNQVHCDDXAQC-XHDPSFHLSA-N 1 0 229.389 2.232 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@@H]1c1cccc(F)c1)N(C)C ZINC000170911239 385454292 /nfs/dbraw/zinc/45/42/92/385454292.db2.gz ARWXMWWXPYNBAF-CHWSQXEVSA-N 1 0 249.333 2.161 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000170911134 385455032 /nfs/dbraw/zinc/45/50/32/385455032.db2.gz IBIYPVPQZWSYOH-QWHCGFSZSA-N 1 0 249.333 2.242 20 30 BEEDRO C[C@@H](OCCCNC(=[NH2+])N(C)C)c1ccccc1 ZINC000170908751 385455036 /nfs/dbraw/zinc/45/50/36/385455036.db2.gz VFUWTCUIRUSZJR-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO Cc1ccc(C(C)(C)CNC(=[NH2+])N(C)C)cc1 ZINC000170915057 385455968 /nfs/dbraw/zinc/45/59/68/385455968.db2.gz WLHPVYLTENIQBY-UHFFFAOYSA-N 1 0 233.359 2.149 20 30 BEEDRO CN(CC[N@H+](C)C1CC1)Cc1ccc(C#N)s1 ZINC000290432412 385430643 /nfs/dbraw/zinc/43/06/43/385430643.db2.gz LISKLKQSQZECSH-UHFFFAOYSA-N 1 0 249.383 2.146 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)[C@@H]1CCCO1 ZINC000182293012 385432194 /nfs/dbraw/zinc/43/21/94/385432194.db2.gz VBLOGJSGQRMWCB-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO CCCCOCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309141731 385432902 /nfs/dbraw/zinc/43/29/02/385432902.db2.gz HIRRCLBQPFXNMC-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccccc1OC ZINC000491679027 385467676 /nfs/dbraw/zinc/46/76/76/385467676.db2.gz WBQPFPQXDWCWPO-NSHDSACASA-N 1 0 203.285 2.149 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000341253998 385472429 /nfs/dbraw/zinc/47/24/29/385472429.db2.gz DLWCAGNEUUJQLW-ZWNOBZJWSA-N 1 0 234.299 2.056 20 30 BEEDRO COc1cccc([C@H]2C[C@H]([NH2+]CCC#N)C2)c1 ZINC000591769891 385562751 /nfs/dbraw/zinc/56/27/51/385562751.db2.gz PSCHUDDPNJIISC-JOCQHMNTSA-N 1 0 230.311 2.444 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)nc(C#N)c1 ZINC000308281493 385565273 /nfs/dbraw/zinc/56/52/73/385565273.db2.gz ZXZVZIOFABWKKQ-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCC[NH2+][C@]1(C)CCCC[C@@H]1C(=O)OC ZINC000309464499 385593423 /nfs/dbraw/zinc/59/34/23/385593423.db2.gz OYEFTEXYVWTINT-DGCLKSJQSA-N 1 0 225.332 2.274 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000411768191 385606770 /nfs/dbraw/zinc/60/67/70/385606770.db2.gz HJXAVRDYLOFYJU-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000309440431 385582933 /nfs/dbraw/zinc/58/29/33/385582933.db2.gz IIGUNXVODTUXJA-OBJOEFQTSA-N 1 0 222.376 2.413 20 30 BEEDRO CC(C)(C)N1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000595056145 385618506 /nfs/dbraw/zinc/61/85/06/385618506.db2.gz BKBQOAZYOHMYRH-AVGNSLFASA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000309499421 385624034 /nfs/dbraw/zinc/62/40/34/385624034.db2.gz ZHRLPRXSERMYDV-YNEHKIRRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=C(CC)C[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000451045630 385627465 /nfs/dbraw/zinc/62/74/65/385627465.db2.gz YEYNBHOSOSHNFP-AWEZNQCLSA-N 1 0 235.327 2.156 20 30 BEEDRO C[C@]1(C2CC2)C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000595625033 385635640 /nfs/dbraw/zinc/63/56/40/385635640.db2.gz JJNZYFASGJWPAU-MRVWCRGKSA-N 1 0 234.343 2.180 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cn[nH]c1 ZINC000229626839 134461334 /nfs/dbraw/zinc/46/13/34/134461334.db2.gz ZMZUTAJRUIRLDJ-JTQLQIEISA-N 1 0 220.320 2.390 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1nc(C)ccc1C#N ZINC000218092794 385611133 /nfs/dbraw/zinc/61/11/33/385611133.db2.gz MRMOZQDTQRNIIN-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)C1CCC(F)CC1 ZINC000595822359 385639996 /nfs/dbraw/zinc/63/99/96/385639996.db2.gz RTBSMMXWSVTUDN-PNESKVBLSA-N 1 0 242.338 2.423 20 30 BEEDRO N#CCCC[NH2+]C1Cc2ccccc2C1 ZINC000228318398 385641960 /nfs/dbraw/zinc/64/19/60/385641960.db2.gz VNRVMRKUVOQYNF-UHFFFAOYSA-N 1 0 200.285 2.047 20 30 BEEDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CC#N)C2)n1 ZINC000597174450 385665689 /nfs/dbraw/zinc/66/56/89/385665689.db2.gz QUULNZVOOSJABN-LBPRGKRZSA-N 1 0 245.326 2.221 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1nccs1 ZINC000184441085 385657278 /nfs/dbraw/zinc/65/72/78/385657278.db2.gz AJDPADVQMYPREL-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000309552893 385684477 /nfs/dbraw/zinc/68/44/77/385684477.db2.gz GOEORNSGMKJRQY-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000309552891 385684526 /nfs/dbraw/zinc/68/45/26/385684526.db2.gz GOEORNSGMKJRQY-CHWSQXEVSA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCCC[NH2+][C@H](c1cccnc1)C1CC1 ZINC000309574686 385706972 /nfs/dbraw/zinc/70/69/72/385706972.db2.gz OIGCNPYTPUFWGE-ZDUSSCGKSA-N 1 0 215.300 2.426 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCOCC1)c1ccc(F)cc1 ZINC000491731244 385710820 /nfs/dbraw/zinc/71/08/20/385710820.db2.gz KMCRIZAKXRRJRX-CQSZACIVSA-N 1 0 233.286 2.269 20 30 BEEDRO C#CCNC(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)=[NH+]C ZINC000262223625 533141480 /nfs/dbraw/zinc/14/14/80/533141480.db2.gz KWBRTHOHYDWYGS-BFHYXJOUSA-N 1 0 247.386 2.144 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000320188247 385666994 /nfs/dbraw/zinc/66/69/94/385666994.db2.gz AUAUDMSUQZWTPW-MGPQQGTHSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]1C1CC1 ZINC000309602688 385737239 /nfs/dbraw/zinc/73/72/39/385737239.db2.gz XCAUBQCCTFKXRO-FPMFFAJLSA-N 1 0 223.360 2.339 20 30 BEEDRO COCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185780965 385738631 /nfs/dbraw/zinc/73/86/31/385738631.db2.gz KUCJVZWUZJYAKZ-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCOc1cccc(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000414862290 385750406 /nfs/dbraw/zinc/75/04/06/385750406.db2.gz HJGVITAOWSFAMW-CQSZACIVSA-N 1 0 246.354 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000336655849 385766487 /nfs/dbraw/zinc/76/64/87/385766487.db2.gz ABUJBQGUAFEGEU-QJPTWQEYSA-N 1 0 209.333 2.356 20 30 BEEDRO Cc1nsc(NCC(C)(C)[NH+](C)C)c1C#N ZINC000086254922 385769762 /nfs/dbraw/zinc/76/97/62/385769762.db2.gz QXSCISMAEQIQCT-UHFFFAOYSA-N 1 0 238.360 2.075 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(OC)s1 ZINC000308552163 385787489 /nfs/dbraw/zinc/78/74/89/385787489.db2.gz XZDXTPPTPKXCAS-UHFFFAOYSA-N 1 0 212.318 2.208 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309680602 385787753 /nfs/dbraw/zinc/78/77/53/385787753.db2.gz NBSREHHCNIHJMJ-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000186698405 385782417 /nfs/dbraw/zinc/78/24/17/385782417.db2.gz UPEOLIZJUHLOCI-RISCZKNCSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000186696030 385782464 /nfs/dbraw/zinc/78/24/64/385782464.db2.gz ONRAJAFOBKTWPF-RISCZKNCSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000186713106 385783658 /nfs/dbraw/zinc/78/36/58/385783658.db2.gz YVKQNYOOFYFYQB-MWLCHTKSSA-N 1 0 240.734 2.323 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H](CO)C1CCCC1 ZINC000309667120 385783697 /nfs/dbraw/zinc/78/36/97/385783697.db2.gz IIGAGPPXMFFKER-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1 ZINC000186710157 385785119 /nfs/dbraw/zinc/78/51/19/385785119.db2.gz DRJXRVMSFOMHGR-AAEUAGOBSA-N 1 0 205.301 2.274 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(CC)o1 ZINC000186714152 385785183 /nfs/dbraw/zinc/78/51/83/385785183.db2.gz FHYOOWWXFYOZOI-GHMZBOCLSA-N 1 0 223.316 2.430 20 30 BEEDRO C=CCCC[C@H](C)Sc1nc(N)cc(N)[nH+]1 ZINC000336654305 385723076 /nfs/dbraw/zinc/72/30/76/385723076.db2.gz GQCZKYULJXDHOZ-QMMMGPOBSA-N 1 0 238.360 2.308 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@@H]1CC1(F)F ZINC000602542434 385805427 /nfs/dbraw/zinc/80/54/27/385805427.db2.gz XLGKMWSHALCPDF-BDAKNGLRSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCOCC1CCC1 ZINC000602614953 385808505 /nfs/dbraw/zinc/80/85/05/385808505.db2.gz BROMWDPNYJJTCK-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(C#N)cc2)C1 ZINC000266197284 385810073 /nfs/dbraw/zinc/81/00/73/385810073.db2.gz IFGIPGDPKMUVOJ-CQSZACIVSA-N 1 0 243.354 2.336 20 30 BEEDRO C=CCOc1cccc(CNC[C@@H](C)[NH2+]CC)c1 ZINC000414949729 385815151 /nfs/dbraw/zinc/81/51/51/385815151.db2.gz FLSTUWQZAPJDAA-CYBMUJFWSA-N 1 0 248.370 2.339 20 30 BEEDRO CCSCCN(CC)C[C@@H](C)C#N ZINC000122897720 385823391 /nfs/dbraw/zinc/82/33/91/385823391.db2.gz HHHAPQRUIPYRTB-JTQLQIEISA-N 1 0 200.351 2.221 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOC[C@@H]2C2CCC2)CC1 ZINC000602852393 385827046 /nfs/dbraw/zinc/82/70/46/385827046.db2.gz QKBSBMJUBFCNGS-CYBMUJFWSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@@H]1C[N@@H+](CCCCCF)C[C@H](C)N1CC#N ZINC000602853856 385827253 /nfs/dbraw/zinc/82/72/53/385827253.db2.gz MJSCVXZYZNQWJD-BETUJISGSA-N 1 0 241.354 2.044 20 30 BEEDRO C[C@H]1C[NH+](CC2CCCCC2)C[C@H](C)N1CC#N ZINC000602854230 385828293 /nfs/dbraw/zinc/82/82/93/385828293.db2.gz ATBZOTYTLUYTIG-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000304254087 385905921 /nfs/dbraw/zinc/90/59/21/385905921.db2.gz ADIYMERJKOYWAR-GXFFZTMASA-N 1 0 236.315 2.038 20 30 BEEDRO N#Cc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000366244958 385879016 /nfs/dbraw/zinc/87/90/16/385879016.db2.gz GRKPEBSDPWCMMA-AWEZNQCLSA-N 1 0 242.322 2.027 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCc1cn(C)cn1)C1CC1 ZINC000414126393 385975535 /nfs/dbraw/zinc/97/55/35/385975535.db2.gz ONNZKEBZYGTYFU-CQSZACIVSA-N 1 0 233.359 2.297 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253094478 533153299 /nfs/dbraw/zinc/15/32/99/533153299.db2.gz NQKCDVMMBHUJCO-MCIONIFRSA-N 1 0 221.344 2.025 20 30 BEEDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000087013562 385982182 /nfs/dbraw/zinc/98/21/82/385982182.db2.gz GFSFQFOOICONSK-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000414138087 385987094 /nfs/dbraw/zinc/98/70/94/385987094.db2.gz FNEZTEFBEGCPNU-LLVKDONJSA-N 1 0 219.332 2.446 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414138089 385987217 /nfs/dbraw/zinc/98/72/17/385987217.db2.gz FNEZTEFBEGCPNU-NSHDSACASA-N 1 0 219.332 2.446 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)C1CC1 ZINC000189319497 385991848 /nfs/dbraw/zinc/99/18/48/385991848.db2.gz PSKMMEWPESIKMS-UBHSHLNASA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414611290 385947050 /nfs/dbraw/zinc/94/70/50/385947050.db2.gz CCAVDVUCMKACFN-VIFPVBQESA-N 1 0 209.293 2.234 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCC12CCCC2 ZINC000189219688 385952734 /nfs/dbraw/zinc/95/27/34/385952734.db2.gz LLEWHEYFOJHPEE-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000451605650 385963995 /nfs/dbraw/zinc/96/39/95/385963995.db2.gz DVTVBYPWAZHXFL-OLZOCXBDSA-N 1 0 239.265 2.398 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000393884981 385965347 /nfs/dbraw/zinc/96/53/47/385965347.db2.gz RABOIBJRJRRVGF-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000373914519 533152695 /nfs/dbraw/zinc/15/26/95/533152695.db2.gz WRLYOJJCJZBPOP-BYNSBNAKSA-N 1 0 235.371 2.271 20 30 BEEDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000543762113 385972739 /nfs/dbraw/zinc/97/27/39/385972739.db2.gz ABRDICIPYMQQPH-GXSJLCMTSA-N 1 0 236.290 2.119 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccco1 ZINC000320271612 386002678 /nfs/dbraw/zinc/00/26/78/386002678.db2.gz LPWXJTPVIZDPJQ-GHMZBOCLSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414154296 386004098 /nfs/dbraw/zinc/00/40/98/386004098.db2.gz SBCJDHSRLOCFEA-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO C=C[C@@](C)(CC)c1nc(C2([NH3+])CCC2)no1 ZINC000414630027 386004912 /nfs/dbraw/zinc/00/49/12/386004912.db2.gz SMKZOUQUKRPPMD-NSHDSACASA-N 1 0 221.304 2.261 20 30 BEEDRO C[N@H+](Cc1ccoc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000335068292 386012439 /nfs/dbraw/zinc/01/24/39/386012439.db2.gz LSGMOYZRNZUTDS-ZYHUDNBSSA-N 1 0 204.273 2.404 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000182017014 386021056 /nfs/dbraw/zinc/02/10/56/386021056.db2.gz CXTLGDDGMOOYBX-LLVKDONJSA-N 1 0 218.300 2.025 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000453015009 386026496 /nfs/dbraw/zinc/02/64/96/386026496.db2.gz MDYFLFCHKBWLAB-UPJWGTAASA-N 1 0 238.375 2.330 20 30 BEEDRO CC#CCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000334430972 386030035 /nfs/dbraw/zinc/03/00/35/386030035.db2.gz VOYIYMZREXYHIR-SNVBAGLBSA-N 1 0 201.260 2.377 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1nc(C)sc1C ZINC000451611840 386030941 /nfs/dbraw/zinc/03/09/41/386030941.db2.gz YAXXTTZFRLBXFR-PWSUYJOCSA-N 1 0 238.356 2.193 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CCC)C(C)(C)C ZINC000414163535 386048213 /nfs/dbraw/zinc/04/82/13/386048213.db2.gz GFTUFJDTOFUCSA-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H](O)C(C)C ZINC000414297913 386106180 /nfs/dbraw/zinc/10/61/80/386106180.db2.gz PYYDIJROWSPZDD-NDBYEHHHSA-N 1 0 224.348 2.064 20 30 BEEDRO COC1([C@H](C)[NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1 ZINC000414312839 386116567 /nfs/dbraw/zinc/11/65/67/386116567.db2.gz XBYOJMQKQKFSRA-QJPTWQEYSA-N 1 0 222.332 2.226 20 30 BEEDRO CCn1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000414210434 386064771 /nfs/dbraw/zinc/06/47/71/386064771.db2.gz OKKSJOYUTYXNBO-NWDGAFQWSA-N 1 0 232.331 2.075 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000414232734 386077598 /nfs/dbraw/zinc/07/75/98/386077598.db2.gz IHUOXFURDVYJLV-UNJBNNCHSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCC1CC(O)C1 ZINC000336772883 386088085 /nfs/dbraw/zinc/08/80/85/386088085.db2.gz YLJGGINIHNVJNG-ZFDZMSFRSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1CC(O)C1 ZINC000336772882 386089122 /nfs/dbraw/zinc/08/91/22/386089122.db2.gz YLJGGINIHNVJNG-OKZRHMCRSA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)OCC1CC1 ZINC000414279020 386091692 /nfs/dbraw/zinc/09/16/92/386091692.db2.gz ZKIGAHVICHUEEL-QWHCGFSZSA-N 1 0 236.359 2.473 20 30 BEEDRO CC1CCN(C(=[NH2+])NCC(C)(C)CC#N)CC1 ZINC000414359957 386147475 /nfs/dbraw/zinc/14/74/75/386147475.db2.gz LMRQKEBQKYTSMS-UHFFFAOYSA-N 1 0 236.363 2.183 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](CO)C2)C1 ZINC000414350529 386151468 /nfs/dbraw/zinc/15/14/68/386151468.db2.gz ZLBKSFWNTREYLU-MQYQWHSLSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C2=C(C)CCC2)CC1 ZINC000437664320 386158065 /nfs/dbraw/zinc/15/80/65/386158065.db2.gz VBJKDJHZSVGNHJ-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2cscn2)c1 ZINC000086500329 386162199 /nfs/dbraw/zinc/16/21/99/386162199.db2.gz SDZPLJAJYWOGQX-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CCC(O)CC2)c1 ZINC000086500100 386162434 /nfs/dbraw/zinc/16/24/34/386162434.db2.gz YAUDUAXZTWYDSH-UHFFFAOYSA-N 1 0 236.340 2.013 20 30 BEEDRO C=C(C)CNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415922778 386164075 /nfs/dbraw/zinc/16/40/75/386164075.db2.gz SYYPBSTVIGEDOT-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CCN(C[C@H]([NH3+])CC(C)C)CC(F)(F)F ZINC000414682712 386165846 /nfs/dbraw/zinc/16/58/46/386165846.db2.gz AHISYYAFCVCSLO-SNVBAGLBSA-N 1 0 238.297 2.410 20 30 BEEDRO C=C1CC[NH+](Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000334479229 386166408 /nfs/dbraw/zinc/16/64/08/386166408.db2.gz SOVAVATUPNXVDW-UHFFFAOYSA-N 1 0 242.326 2.418 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1(CCO)CC1 ZINC000188071197 386169062 /nfs/dbraw/zinc/16/90/62/386169062.db2.gz IKVIHVMHSUSFHG-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C#N)s1 ZINC000267173261 386184254 /nfs/dbraw/zinc/18/42/54/386184254.db2.gz IOJJZWDYPYXHDG-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO C=CCOCCC[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430281560 386129791 /nfs/dbraw/zinc/12/97/91/386129791.db2.gz SNLIKTMABCHMHC-GFCCVEGCSA-N 1 0 209.333 2.477 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cnn1C ZINC000274627650 386132699 /nfs/dbraw/zinc/13/26/99/386132699.db2.gz NZVFUFNHCPRZCG-ZMLRMANQSA-N 1 0 232.331 2.071 20 30 BEEDRO CCC([NH3+])(CC)CNc1nc(C)cc(C)c1C#N ZINC000130073744 386136054 /nfs/dbraw/zinc/13/60/54/386136054.db2.gz NGFQSKNXRLLAOR-UHFFFAOYSA-N 1 0 246.358 2.500 20 30 BEEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@@H](C)CC(N)=O ZINC000414305225 386139397 /nfs/dbraw/zinc/13/93/97/386139397.db2.gz PTHRPZQWRUBOFH-JSGCOSHPSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CC[C@@H](Cc1ccccc1)[NH2+][C@H](C)CC(N)=O ZINC000414305226 386140507 /nfs/dbraw/zinc/14/05/07/386140507.db2.gz PTHRPZQWRUBOFH-OCCSQVGLSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000339009432 386206602 /nfs/dbraw/zinc/20/66/02/386206602.db2.gz CZHLCQNJQVFUAO-TZMCWYRMSA-N 1 0 241.375 2.324 20 30 BEEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)C[C@H](C2CC2)O1 ZINC000347082847 386241480 /nfs/dbraw/zinc/24/14/80/386241480.db2.gz KPHBEVAHBDNVGG-WCQYABFASA-N 1 0 236.359 2.426 20 30 BEEDRO C=C(C)CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416209406 386243512 /nfs/dbraw/zinc/24/35/12/386243512.db2.gz KINIZHNMJAWXDT-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCOCCC[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000347221769 386287273 /nfs/dbraw/zinc/28/72/73/386287273.db2.gz JDXUEBLHNDHJAU-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1nccs1 ZINC000320315295 386306625 /nfs/dbraw/zinc/30/66/25/386306625.db2.gz VKXJGDLIXLYURE-NXEZZACHSA-N 1 0 226.345 2.121 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)CCC(C)(C)C#N ZINC000347259278 386307114 /nfs/dbraw/zinc/30/71/14/386307114.db2.gz YKRIOORKPNOOGX-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000320313395 386310240 /nfs/dbraw/zinc/31/02/40/386310240.db2.gz VDGPWJCVSPTYPP-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(F)c1 ZINC000320324257 386323584 /nfs/dbraw/zinc/32/35/84/386323584.db2.gz FFQDEPFNUPGMIE-CYBMUJFWSA-N 1 0 223.291 2.242 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000347247503 386279700 /nfs/dbraw/zinc/27/97/00/386279700.db2.gz KSDSFWMSAZCOGS-OCCSQVGLSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N2CCCC2)[C@@H]1C ZINC000347346965 386341532 /nfs/dbraw/zinc/34/15/32/386341532.db2.gz QOMSWCLZKGDPRK-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000281298376 386386600 /nfs/dbraw/zinc/38/66/00/386386600.db2.gz HIACFKRQRCPMAS-LBPRGKRZSA-N 1 0 205.305 2.133 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(C)nn1 ZINC000335269661 386352503 /nfs/dbraw/zinc/35/25/03/386352503.db2.gz MCLUJJVRHLAMFO-CYBMUJFWSA-N 1 0 217.316 2.326 20 30 BEEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2)C1=O ZINC000280919662 386358942 /nfs/dbraw/zinc/35/89/42/386358942.db2.gz DBJQSLWICZWZIE-TZMCWYRMSA-N 1 0 244.338 2.124 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccncc1 ZINC000280597244 386365923 /nfs/dbraw/zinc/36/59/23/386365923.db2.gz IYLUQTGBZPRGEU-ZIAGYGMSSA-N 1 0 232.327 2.152 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccc(C#N)cc1 ZINC000315735537 259686694 /nfs/dbraw/zinc/68/66/94/259686694.db2.gz KWRZQMSHNVEWNT-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CC[C@H]1CCCCO1 ZINC000347394582 386383298 /nfs/dbraw/zinc/38/32/98/386383298.db2.gz PRWUNSCNZSAEIG-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1nccnc1C ZINC000188235613 386329993 /nfs/dbraw/zinc/32/99/93/386329993.db2.gz XBDQBJNLHBMGCG-LBPRGKRZSA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH+]1CCCCCC1 ZINC000058873656 386339501 /nfs/dbraw/zinc/33/95/01/386339501.db2.gz GFLSILSJAXHQNY-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(C)nn1 ZINC000414435121 386445074 /nfs/dbraw/zinc/44/50/74/386445074.db2.gz QLHJHUHEVCYDME-UHFFFAOYSA-N 1 0 205.305 2.231 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)[C@@H](C)O ZINC000453319177 386404733 /nfs/dbraw/zinc/40/47/33/386404733.db2.gz CZIWGWOECMAALL-WKPIXPDZSA-N 1 0 244.338 2.295 20 30 BEEDRO Cc1cc(N2CCC[C@@H]2C[C@H](C)O)c(C#N)cn1 ZINC000398996102 386410980 /nfs/dbraw/zinc/41/09/80/386410980.db2.gz PIYPGUXRAGPFJL-WCQYABFASA-N 1 0 245.326 2.001 20 30 BEEDRO CCOC1CC([N@H+](C)CCCCC#N)C1 ZINC000347460046 386413164 /nfs/dbraw/zinc/41/31/64/386413164.db2.gz ROZBMROZMXQMRQ-UHFFFAOYSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399117672 386414024 /nfs/dbraw/zinc/41/40/24/386414024.db2.gz GOPHBYVMUSGWIB-DOMZBBRYSA-N 1 0 244.338 2.410 20 30 BEEDRO C=CCCC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000347495052 386420897 /nfs/dbraw/zinc/42/08/97/386420897.db2.gz XDMXKBXAWGYYIO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCOC1 ZINC000166129458 386474326 /nfs/dbraw/zinc/47/43/26/386474326.db2.gz AWAKIUYOTCUCQE-DZGCQCFKSA-N 1 0 229.323 2.053 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1conc1CC ZINC000339603232 386481881 /nfs/dbraw/zinc/48/18/81/386481881.db2.gz JPEIHFRYNFBJJB-UHFFFAOYSA-N 1 0 238.331 2.262 20 30 BEEDRO C=CCOc1cccc(CN[C@H](C)[C@H](C)[NH3+])c1 ZINC000415013030 386495932 /nfs/dbraw/zinc/49/59/32/386495932.db2.gz ULQKVCSYDDLBOR-NWDGAFQWSA-N 1 0 234.343 2.077 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399228036 386463216 /nfs/dbraw/zinc/46/32/16/386463216.db2.gz OBPSHKWESJEOLG-AWEZNQCLSA-N 1 0 246.354 2.249 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cc(C(N)=O)co1 ZINC000187732233 386587473 /nfs/dbraw/zinc/58/74/73/386587473.db2.gz RRNPQRDQRPBYOT-LLVKDONJSA-N 1 0 236.315 2.213 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CN)C1CCCC1 ZINC000415069399 386551515 /nfs/dbraw/zinc/55/15/15/386551515.db2.gz SLSSGTDNMLNUKO-DGCLKSJQSA-N 1 0 210.365 2.448 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@](CC)(CO)C1 ZINC000187639340 386567452 /nfs/dbraw/zinc/56/74/52/386567452.db2.gz DIUYRBIFEPCLGG-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000187682954 386573992 /nfs/dbraw/zinc/57/39/92/386573992.db2.gz MOVOPEILQSYARU-YFKTTZPYSA-N 1 0 211.349 2.336 20 30 BEEDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000266138559 386620050 /nfs/dbraw/zinc/62/00/50/386620050.db2.gz GIOHNSOROHNDGN-OLZOCXBDSA-N 1 0 234.299 2.198 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H]1C[C@H]1C ZINC000336757219 386600104 /nfs/dbraw/zinc/60/01/04/386600104.db2.gz JXLOLMVSPHHMRU-LPWJVIDDSA-N 1 0 209.333 2.213 20 30 BEEDRO C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)C#N)CCO1 ZINC000335530588 386678393 /nfs/dbraw/zinc/67/83/93/386678393.db2.gz JOEIGLLYYHMBHP-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000185810071 386688222 /nfs/dbraw/zinc/68/82/22/386688222.db2.gz LNEIHHZDKDJZIF-STQMWFEESA-N 1 0 236.359 2.354 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000185810089 386689132 /nfs/dbraw/zinc/68/91/32/386689132.db2.gz LNEIHHZDKDJZIF-CHWSQXEVSA-N 1 0 236.359 2.354 20 30 BEEDRO CC[N@H+](CCNC(=O)c1ncoc1C)C(C)C ZINC000330426249 386712144 /nfs/dbraw/zinc/71/21/44/386712144.db2.gz JNXRFPNUESWPIF-UHFFFAOYSA-N 1 0 239.319 2.018 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(C#N)cc1C)C1CC1 ZINC000186324131 386704299 /nfs/dbraw/zinc/70/42/99/386704299.db2.gz AEYJGSATOYFPOU-HNNXBMFYSA-N 1 0 244.338 2.381 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000330414087 386707179 /nfs/dbraw/zinc/70/71/79/386707179.db2.gz ZXAQWZRHWLMTMM-CYBMUJFWSA-N 1 0 249.358 2.321 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1ccno1 ZINC001172490847 974837231 /nfs/dbraw/zinc/83/72/31/974837231.db2.gz LMILDDZSUQHWGE-UWVGGRQHSA-N 1 0 207.277 2.408 20 30 BEEDRO COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCCC#N ZINC000330489340 386736607 /nfs/dbraw/zinc/73/66/07/386736607.db2.gz KGSCKXAIKFPBSR-AAEUAGOBSA-N 1 0 238.331 2.002 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296227138 386713328 /nfs/dbraw/zinc/71/33/28/386713328.db2.gz KMACWEKXNYBOSC-ZDUSSCGKSA-N 1 0 237.730 2.329 20 30 BEEDRO C=CCOCC[NH+]1CCC(c2ccccn2)CC1 ZINC000645101525 386721375 /nfs/dbraw/zinc/72/13/75/386721375.db2.gz UUYHLJLKDYJANX-UHFFFAOYSA-N 1 0 246.354 2.464 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C#N)ccn1 ZINC000218079533 386724906 /nfs/dbraw/zinc/72/49/06/386724906.db2.gz PDGIMWWZJLJPGM-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=C(C)CN(CC)c1nc(N)[nH+]c2c1CCCC2 ZINC000645115983 386728974 /nfs/dbraw/zinc/72/89/74/386728974.db2.gz HPGDEYBDXFIBKW-UHFFFAOYSA-N 1 0 246.358 2.170 20 30 BEEDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442825625 386729463 /nfs/dbraw/zinc/72/94/63/386729463.db2.gz IUURACUQINDACQ-UPJWGTAASA-N 1 0 238.375 2.311 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@H]1C(N)=O ZINC000330557267 386769565 /nfs/dbraw/zinc/76/95/65/386769565.db2.gz HVVWPQPAECVJPN-GHMZBOCLSA-N 1 0 237.347 2.420 20 30 BEEDRO C=CCOc1ccccc1CNC[C@@H]1CCC[NH2+]1 ZINC000414843017 386757917 /nfs/dbraw/zinc/75/79/17/386757917.db2.gz JDEDTSQTPXXNPF-AWEZNQCLSA-N 1 0 246.354 2.093 20 30 BEEDRO COCC1(C[N@H+](C)[C@H](C)CC#N)CCC1 ZINC000336665125 386768773 /nfs/dbraw/zinc/76/87/73/386768773.db2.gz DBSJXUUEDIRQPL-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000411484760 386821116 /nfs/dbraw/zinc/82/11/16/386821116.db2.gz HRTVKSHKKRUYCZ-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000411484763 386822149 /nfs/dbraw/zinc/82/21/49/386822149.db2.gz HRTVKSHKKRUYCZ-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(=O)OC)o1 ZINC000395375898 386822422 /nfs/dbraw/zinc/82/24/22/386822422.db2.gz IIHSOHFUYGVFOG-UHFFFAOYSA-N 1 0 237.299 2.368 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000330645388 386810932 /nfs/dbraw/zinc/81/09/32/386810932.db2.gz FCYGUZSAIVWETA-DGCLKSJQSA-N 1 0 233.315 2.116 20 30 BEEDRO C=C(C)C[N@H+](CC)CCO[C@H]1CCCCO1 ZINC000193041581 386812541 /nfs/dbraw/zinc/81/25/41/386812541.db2.gz RWMXCSWLILVUTF-ZDUSSCGKSA-N 1 0 227.348 2.428 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193035436 386813660 /nfs/dbraw/zinc/81/36/60/386813660.db2.gz IDQWJWZLTVMXMY-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H]1C[NH+](CCCC#N)C[C@H](CC)O1 ZINC000398474305 386828410 /nfs/dbraw/zinc/82/84/10/386828410.db2.gz QXTLPOXWBMUFRU-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO CC#CCC[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000125556719 386837185 /nfs/dbraw/zinc/83/71/85/386837185.db2.gz NBBADVDNCRYZFO-UHFFFAOYSA-N 1 0 219.332 2.141 20 30 BEEDRO C=C(C[NH2+]Cc1cnnn1CC)c1ccccc1 ZINC000417880089 386838603 /nfs/dbraw/zinc/83/86/03/386838603.db2.gz PXUOUIYVFZAHGR-UHFFFAOYSA-N 1 0 242.326 2.101 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1SC ZINC000425342499 386842587 /nfs/dbraw/zinc/84/25/87/386842587.db2.gz AOIITYRFSFDWMS-VOAKCMCISA-N 1 0 241.400 2.451 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCCCC#N ZINC000236687202 533197534 /nfs/dbraw/zinc/19/75/34/533197534.db2.gz HOLSZVFCERGCMA-UHFFFAOYSA-N 1 0 242.322 2.482 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H]1SC ZINC000425346211 386859069 /nfs/dbraw/zinc/85/90/69/386859069.db2.gz BDJTUIPCMFZJRQ-WHOHXGKFSA-N 1 0 227.373 2.061 20 30 BEEDRO CC1(C#N)CC[NH+](CCCSCC#N)CC1 ZINC000330770355 386882615 /nfs/dbraw/zinc/88/26/15/386882615.db2.gz BASCNGCODVKQSF-UHFFFAOYSA-N 1 0 237.372 2.259 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000286200244 533201726 /nfs/dbraw/zinc/20/17/26/533201726.db2.gz RIGLSLLJKQUKCL-LBPRGKRZSA-N 1 0 234.368 2.407 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185837646 533202641 /nfs/dbraw/zinc/20/26/41/533202641.db2.gz KIUZSABGJMCLTJ-NWDGAFQWSA-N 1 0 222.357 2.025 20 30 BEEDRO C=C(CC)CNC(=[NH2+])N1CCC(C)CC1 ZINC000334860822 386913268 /nfs/dbraw/zinc/91/32/68/386913268.db2.gz GWPSQNQAXPWVDS-UHFFFAOYSA-N 1 0 209.337 2.209 20 30 BEEDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCc3ccc(C#N)cc32)C1 ZINC000417393922 386924030 /nfs/dbraw/zinc/92/40/30/386924030.db2.gz CVHOFKWWJWVSHC-AEGPPILISA-N 1 0 242.322 2.049 20 30 BEEDRO CCOCCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000192588826 386969212 /nfs/dbraw/zinc/96/92/12/386969212.db2.gz VTDJTDYRLNNASO-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)C1CC1 ZINC000417396291 386972651 /nfs/dbraw/zinc/97/26/51/386972651.db2.gz FVLAUCKIYYLEFT-UPJWGTAASA-N 1 0 209.333 2.234 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000334928939 387003213 /nfs/dbraw/zinc/00/32/13/387003213.db2.gz KKIIOVZFRKKSFB-NWDGAFQWSA-N 1 0 217.316 2.352 20 30 BEEDRO CS[C@@H]1CC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000425380898 387032084 /nfs/dbraw/zinc/03/20/84/387032084.db2.gz LWYHXWBXOXULPQ-VHSXEESVSA-N 1 0 210.346 2.164 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000168600721 387036584 /nfs/dbraw/zinc/03/65/84/387036584.db2.gz VPTBXCIUGRSZBT-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425384097 387037229 /nfs/dbraw/zinc/03/72/29/387037229.db2.gz MMJUYVCZAQGAAC-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000334966307 387048166 /nfs/dbraw/zinc/04/81/66/387048166.db2.gz HFHVVHTZOPPSFZ-GFCCVEGCSA-N 1 0 236.359 2.306 20 30 BEEDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000267263908 387009481 /nfs/dbraw/zinc/00/94/81/387009481.db2.gz KWINLMINMJGJSH-BXUZGUMPSA-N 1 0 248.326 2.302 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1ccc(F)cc1 ZINC000026165086 387023401 /nfs/dbraw/zinc/02/34/01/387023401.db2.gz MUDUXRHPVDVWHU-NSHDSACASA-N 1 0 205.276 2.322 20 30 BEEDRO C=CCCOCC[NH2+][C@H](COC)C1CCCC1 ZINC000526118375 387028357 /nfs/dbraw/zinc/02/83/57/387028357.db2.gz ZDIOCVCXJCHWGM-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCOCC(F)F ZINC000188757492 387091472 /nfs/dbraw/zinc/09/14/72/387091472.db2.gz SXWHBHZMYROQQH-NXEZZACHSA-N 1 0 221.291 2.458 20 30 BEEDRO CCCC[N@H+](CCCCC#N)CCOC ZINC000068851564 387108300 /nfs/dbraw/zinc/10/83/00/387108300.db2.gz MCWHZHCZODYKBZ-UHFFFAOYSA-N 1 0 212.337 2.429 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(C#N)cc1 ZINC000296086424 387127060 /nfs/dbraw/zinc/12/70/60/387127060.db2.gz XSQFMNJBISIIMY-MJBXVCDLSA-N 1 0 230.311 2.122 20 30 BEEDRO CCCC[C@H](COC)[NH2+]CC1(C#N)CCC1 ZINC000418145685 387167963 /nfs/dbraw/zinc/16/79/63/387167963.db2.gz YQSPACVQSSEAIX-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CCC[C@H](CCO)C[NH2+]Cc1ccc(C#N)o1 ZINC000231393106 387204861 /nfs/dbraw/zinc/20/48/61/387204861.db2.gz IRACRZCDNUGEOB-LLVKDONJSA-N 1 0 236.315 2.040 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CNCC[C@H]1C ZINC000423355448 387205535 /nfs/dbraw/zinc/20/55/35/387205535.db2.gz FNGVNAAPKFGTKD-AGIUHOORSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000187828213 387215319 /nfs/dbraw/zinc/21/53/19/387215319.db2.gz RCMDGFLEFWIZFJ-OHTBPHCPSA-N 1 0 231.405 2.286 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000093820848 387220708 /nfs/dbraw/zinc/22/07/08/387220708.db2.gz NJTLGRIKOCVKAS-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CCC(C)(C)CNC(=O)N[C@H](C)CCC[NH3+] ZINC000418210638 387222284 /nfs/dbraw/zinc/22/22/84/387222284.db2.gz HJZDUZLCNSSOOU-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCC(C)(C)C#N)c1nncn1C ZINC000352458783 387224251 /nfs/dbraw/zinc/22/42/51/387224251.db2.gz PAYMHGMKYGRYGO-LLVKDONJSA-N 1 0 249.362 2.042 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000572119180 387239370 /nfs/dbraw/zinc/23/93/70/387239370.db2.gz XWWDXSNAZNWAHC-CABCVRRESA-N 1 0 246.354 2.198 20 30 BEEDRO CCn1cc(CC[NH+]2CCC(CC#N)CC2)cn1 ZINC000571904232 387197262 /nfs/dbraw/zinc/19/72/62/387197262.db2.gz PTDISUPWQGICBI-UHFFFAOYSA-N 1 0 246.358 2.071 20 30 BEEDRO CCOC(C)(C)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193325004 387199729 /nfs/dbraw/zinc/19/97/29/387199729.db2.gz GXERJBMLXGWPAZ-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1CC ZINC000120825469 387199907 /nfs/dbraw/zinc/19/99/07/387199907.db2.gz IMKXIPIPWVGDHX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccco1 ZINC000423433715 387284105 /nfs/dbraw/zinc/28/41/05/387284105.db2.gz NKNOKYLXBTYJQN-KZVDOYCCSA-N 1 0 232.327 2.094 20 30 BEEDRO CC[NH+](CC)CCCCNc1cccc(C#N)n1 ZINC000270090968 387304079 /nfs/dbraw/zinc/30/40/79/387304079.db2.gz XDNVDHJCKBNFNS-UHFFFAOYSA-N 1 0 246.358 2.487 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000360524231 387304789 /nfs/dbraw/zinc/30/47/89/387304789.db2.gz WMUBOVWQVNLBIA-GFCCVEGCSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCCN1 ZINC000643502002 387356132 /nfs/dbraw/zinc/35/61/32/387356132.db2.gz VQCRLGDNVSNLJI-STQMWFEESA-N 1 0 210.365 2.463 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)(C)O ZINC000293006646 387371677 /nfs/dbraw/zinc/37/16/77/387371677.db2.gz NPNXHLFKWFPMEX-NSHDSACASA-N 1 0 238.356 2.259 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H](CO)C(C)(C)C ZINC000269698441 387374113 /nfs/dbraw/zinc/37/41/13/387374113.db2.gz XWZWWNHABKVOAA-AWEZNQCLSA-N 1 0 246.354 2.397 20 30 BEEDRO CC(C)[C@]1(C)C[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000515005160 387323144 /nfs/dbraw/zinc/32/31/44/387323144.db2.gz GDWWUFYUVMGRMW-UPJWGTAASA-N 1 0 219.332 2.454 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000572334270 387329640 /nfs/dbraw/zinc/32/96/40/387329640.db2.gz KPVKLPYGQNNZFX-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCC[C@H](N[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423490111 387335834 /nfs/dbraw/zinc/33/58/34/387335834.db2.gz XJBQZTCYBAVYKN-NWDGAFQWSA-N 1 0 244.329 2.318 20 30 BEEDRO C=CCC[C@H](N[C@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423490112 387336565 /nfs/dbraw/zinc/33/65/65/387336565.db2.gz XJBQZTCYBAVYKN-RYUDHWBXSA-N 1 0 244.329 2.318 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000648465113 387351310 /nfs/dbraw/zinc/35/13/10/387351310.db2.gz VPBBUEAWIHQBFC-NSHDSACASA-N 1 0 249.362 2.233 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000192707925 387352424 /nfs/dbraw/zinc/35/24/24/387352424.db2.gz FQKLDDFCXGTGOB-VHSXEESVSA-N 1 0 221.329 2.315 20 30 BEEDRO COc1cc(CC[NH2+]CCC#N)ccc1Cl ZINC000515235146 387353126 /nfs/dbraw/zinc/35/31/26/387353126.db2.gz SJOCDOGANYIBQW-UHFFFAOYSA-N 1 0 238.718 2.394 20 30 BEEDRO C#CCC[N@H+]1CCc2ccc(OC)cc2C1 ZINC000270576825 387432006 /nfs/dbraw/zinc/43/20/06/387432006.db2.gz HVPJZFLWQIQSAB-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO C=C1CC[NH+](CCCn2ccnc2C)CC1 ZINC000270696985 387434939 /nfs/dbraw/zinc/43/49/39/387434939.db2.gz XGKNKGYQPIHJLC-UHFFFAOYSA-N 1 0 219.332 2.234 20 30 BEEDRO C=C1CC[NH+](Cc2cc3c(cc2O)OCO3)CC1 ZINC000271174895 387439206 /nfs/dbraw/zinc/43/92/06/387439206.db2.gz SUSPPABLFFTYNT-UHFFFAOYSA-N 1 0 247.294 2.273 20 30 BEEDRO C#CCN(CC)Cc1c(Cl)nc2ccccn21 ZINC000271115992 387439911 /nfs/dbraw/zinc/43/99/11/387439911.db2.gz BWCBKASNMSWRRR-UHFFFAOYSA-N 1 0 247.729 2.443 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000271595961 387445147 /nfs/dbraw/zinc/44/51/47/387445147.db2.gz SHNTUDWNINUSCS-GFCCVEGCSA-N 1 0 217.316 2.187 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1csc(C)n1 ZINC000273384663 387456611 /nfs/dbraw/zinc/45/66/11/387456611.db2.gz CQBKVJNVRQUVDX-WPRPVWTQSA-N 1 0 226.345 2.039 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000263851687 387386952 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/nfs/dbraw/zinc/41/79/24/387417924.db2.gz WUKNPSFJVWRIFP-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000274818429 387495786 /nfs/dbraw/zinc/49/57/86/387495786.db2.gz XKXVKQISAWKXBV-LLVKDONJSA-N 1 0 213.321 2.225 20 30 BEEDRO COC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000346128109 387501551 /nfs/dbraw/zinc/50/15/51/387501551.db2.gz JAIHGUCVTKXHSS-VHSXEESVSA-N 1 0 236.290 2.383 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1F)C[C@H]1CCOC1 ZINC000352865559 387516386 /nfs/dbraw/zinc/51/63/86/387516386.db2.gz BNWYLITUTVOPDB-LLVKDONJSA-N 1 0 248.301 2.166 20 30 BEEDRO CCOCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192697867 387526045 /nfs/dbraw/zinc/52/60/45/387526045.db2.gz RUJFCHUNYZWEOK-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000293540364 387526498 /nfs/dbraw/zinc/52/64/98/387526498.db2.gz XXKYPJFMTJZXIB-MNOVXSKESA-N 1 0 200.285 2.398 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000426114662 387535706 /nfs/dbraw/zinc/53/57/06/387535706.db2.gz PVXMIZDHBKATFS-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C#CCN(Cc1ncc(C)s1)C1CC1 ZINC000274035299 387464427 /nfs/dbraw/zinc/46/44/27/387464427.db2.gz DUAKXLQFDOEUAN-UHFFFAOYSA-N 1 0 206.314 2.049 20 30 BEEDRO Cc1ccc(C)c(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424072646 387477021 /nfs/dbraw/zinc/47/70/21/387477021.db2.gz DMKJUARGLJUDDJ-GFCCVEGCSA-N 1 0 245.326 2.263 20 30 BEEDRO COC1(C[N@H+](C)C[C@@H](C)C#N)CCCC1 ZINC000361563339 387492040 /nfs/dbraw/zinc/49/20/40/387492040.db2.gz GCUTUFJOJGZBHT-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)CC[NH+]1CCN(Cc2cc(C)no2)CC1 ZINC000274730175 387492517 /nfs/dbraw/zinc/49/25/17/387492517.db2.gz BQECZDNXVYQZJM-UHFFFAOYSA-N 1 0 249.358 2.067 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430275231 387606501 /nfs/dbraw/zinc/60/65/01/387606501.db2.gz AGLHQYZZYUTOHK-YPMHNXCESA-N 1 0 209.333 2.212 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccnc(C)c1 ZINC000527539729 387608952 /nfs/dbraw/zinc/60/89/52/387608952.db2.gz MRFQNIRRGMBREA-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430291882 387609048 /nfs/dbraw/zinc/60/90/48/387609048.db2.gz VXYLPFDPJVBXNB-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@]1(F)CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000347393789 387548318 /nfs/dbraw/zinc/54/83/18/387548318.db2.gz REGKYAAVWMVYRE-AWEZNQCLSA-N 1 0 248.301 2.371 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C#N)c(F)c1 ZINC000347386468 387548408 /nfs/dbraw/zinc/54/84/08/387548408.db2.gz YHWJJPCBJVZOKB-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO COCCCC[N@H+](C)CCC(C)(C)C#N ZINC000397192974 387549690 /nfs/dbraw/zinc/54/96/90/387549690.db2.gz KIQIAVYBNWULTH-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C#CC[NH2+][C@H](c1ccc(OC)cc1)C1CC1 ZINC000035055295 387553243 /nfs/dbraw/zinc/55/32/43/387553243.db2.gz INMXYACSAHJIAH-AWEZNQCLSA-N 1 0 215.296 2.369 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1C[C@]12CCCOC2 ZINC001172492803 974839314 /nfs/dbraw/zinc/83/93/14/974839314.db2.gz OOVJHOARJVMHOW-UPJWGTAASA-N 1 0 222.332 2.227 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000293740258 387576260 /nfs/dbraw/zinc/57/62/60/387576260.db2.gz NLWDCPSZCARUJL-CYBMUJFWSA-N 1 0 230.311 2.215 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000293828697 387632842 /nfs/dbraw/zinc/63/28/42/387632842.db2.gz AMHUYRBHXIOGSA-AWEZNQCLSA-N 1 0 248.326 2.398 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC ZINC000430718429 387643114 /nfs/dbraw/zinc/64/31/14/387643114.db2.gz COVVYEQMWCEOGB-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)c1nccn1C ZINC000430746779 387646199 /nfs/dbraw/zinc/64/61/99/387646199.db2.gz JGYHEWHXRBNOEA-NSHDSACASA-N 1 0 232.331 2.155 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2(CC#N)CC2)C1(C)C ZINC000430738395 387647386 /nfs/dbraw/zinc/64/73/86/387647386.db2.gz LCQSIXKTKOCVCL-IJLUTSLNSA-N 1 0 236.359 2.329 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)CC1(CO)CC1 ZINC000186758484 387652110 /nfs/dbraw/zinc/65/21/10/387652110.db2.gz ZRCPIAFBQATBMI-UHFFFAOYSA-N 1 0 244.338 2.071 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccnc(C)c1 ZINC000527704478 387667749 /nfs/dbraw/zinc/66/77/49/387667749.db2.gz WCRHDSCRCBCETN-HUUCEWRRSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)C[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527704600 387667965 /nfs/dbraw/zinc/66/79/65/387667965.db2.gz HFBJXUDPJIKOMF-UHFFFAOYSA-N 1 0 248.355 2.209 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccnc(C)c1 ZINC000527722001 387675366 /nfs/dbraw/zinc/67/53/66/387675366.db2.gz SQEGQPSXNYWWTG-KBPBESRZSA-N 1 0 232.327 2.071 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@]3(CCOC3)C2)C1 ZINC000451910316 387678405 /nfs/dbraw/zinc/67/84/05/387678405.db2.gz MVSKFPQQFMEAIE-MCIONIFRSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000451972085 387688379 /nfs/dbraw/zinc/68/83/79/387688379.db2.gz MHJZJRNJRATSBB-ZDUSSCGKSA-N 1 0 241.400 2.408 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000441363774 387750614 /nfs/dbraw/zinc/75/06/14/387750614.db2.gz YGLCSSBDKDTLHR-OLZOCXBDSA-N 1 0 227.348 2.078 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000452021707 387702218 /nfs/dbraw/zinc/70/22/18/387702218.db2.gz VVNHVAXDCDKCHM-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000452034733 387703904 /nfs/dbraw/zinc/70/39/04/387703904.db2.gz LUHONTVACPNDAL-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@H]1COC ZINC000452047198 387713014 /nfs/dbraw/zinc/71/30/14/387713014.db2.gz ZNMJXLWCMUZYJM-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](COC)CC1 ZINC000452073262 387726384 /nfs/dbraw/zinc/72/63/84/387726384.db2.gz ASKNMODVRGHXRV-ZIAGYGMSSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCC[C@H](NC[C@H](C)[NH3+])c1ccco1 ZINC000643527212 387762253 /nfs/dbraw/zinc/76/22/53/387762253.db2.gz KSKDMQJOWCNTMR-QWRGUYRKSA-N 1 0 208.305 2.224 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CC12CC2 ZINC000527909028 387763697 /nfs/dbraw/zinc/76/36/97/387763697.db2.gz HQPINQLELROCNQ-YFKTTZPYSA-N 1 0 204.317 2.457 20 30 BEEDRO CC[C@H](CCO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353237333 387765784 /nfs/dbraw/zinc/76/57/84/387765784.db2.gz FCSNOPPDNMNMTA-HIFRSBDPSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H](CCO)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353256836 387769589 /nfs/dbraw/zinc/76/95/89/387769589.db2.gz PVDJTEYBBIZTFS-IAQYHMDHSA-N 1 0 244.338 2.154 20 30 BEEDRO C[C@H](CCO)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353256835 387769930 /nfs/dbraw/zinc/76/99/30/387769930.db2.gz PVDJTEYBBIZTFS-ABAIWWIYSA-N 1 0 244.338 2.154 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441647339 387773999 /nfs/dbraw/zinc/77/39/99/387773999.db2.gz NABOSAJBZJHEQZ-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000160792708 387776318 /nfs/dbraw/zinc/77/63/18/387776318.db2.gz TWRUXTUJYQWGQX-UHFFFAOYSA-N 1 0 204.248 2.292 20 30 BEEDRO CCOCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353409564 387789310 /nfs/dbraw/zinc/78/93/10/387789310.db2.gz FPHQLEFNVLHJDX-AWEZNQCLSA-N 1 0 230.311 2.172 20 30 BEEDRO C[NH+](C)CCCN[C@H]1CCc2ccc(C#N)cc21 ZINC000353408360 387790080 /nfs/dbraw/zinc/79/00/80/387790080.db2.gz CXUOSYGJNMAWHV-HNNXBMFYSA-N 1 0 243.354 2.087 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cnccc1N ZINC000422981703 387794498 /nfs/dbraw/zinc/79/44/98/387794498.db2.gz PAGBFNKMGBARSF-UWVGGRQHSA-N 1 0 205.305 2.109 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000527984233 387802172 /nfs/dbraw/zinc/80/21/72/387802172.db2.gz ZMVJQNCLOVQXCG-XQHKEYJVSA-N 1 0 222.332 2.226 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2)C1 ZINC000442633495 387810530 /nfs/dbraw/zinc/81/05/30/387810530.db2.gz JUEUUFQFIYDRCC-CHWSQXEVSA-N 1 0 230.311 2.347 20 30 BEEDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000528006008 387820863 /nfs/dbraw/zinc/82/08/63/387820863.db2.gz MEHRJQLDLSLPFS-LOWDOPEQSA-N 1 0 222.332 2.224 20 30 BEEDRO CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442709965 387826188 /nfs/dbraw/zinc/82/61/88/387826188.db2.gz BMPZJHOQZIZQFE-KFWWJZLASA-N 1 0 249.402 2.389 20 30 BEEDRO CC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCCC1 ZINC000442714871 387829161 /nfs/dbraw/zinc/82/91/61/387829161.db2.gz LVIWWDGXTQISRS-BFHYXJOUSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc(C#N)c1 ZINC000353856468 387835290 /nfs/dbraw/zinc/83/52/90/387835290.db2.gz BSIXIPWXAOHQKS-NHYWBVRUSA-N 1 0 244.338 2.227 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](CCO)c2ccccc2)C1 ZINC000442771910 387837167 /nfs/dbraw/zinc/83/71/67/387837167.db2.gz VADHMNNBLBVKEG-NWANDNLSSA-N 1 0 244.338 2.392 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]Cc1ccc(C#N)cc1 ZINC000295083623 387837567 /nfs/dbraw/zinc/83/75/67/387837567.db2.gz QPPVFJSYAHLSPP-NSHDSACASA-N 1 0 232.327 2.197 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000442773389 387837891 /nfs/dbraw/zinc/83/78/91/387837891.db2.gz CMYINOYPEUNKIB-UKRRQHHQSA-N 1 0 247.386 2.309 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)C1 ZINC000442781313 387838448 /nfs/dbraw/zinc/83/84/48/387838448.db2.gz PASFDGZRVKVLJI-VHDGCEQUSA-N 1 0 244.338 2.044 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCC(C)CC1 ZINC000442792710 387841289 /nfs/dbraw/zinc/84/12/89/387841289.db2.gz MWRPIHHACDPLBI-KFWWJZLASA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000442796887 387841463 /nfs/dbraw/zinc/84/14/63/387841463.db2.gz WJEUMWRKAVNEBZ-GWCFXTLKSA-N 1 0 248.301 2.100 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000442792790 387841995 /nfs/dbraw/zinc/84/19/95/387841995.db2.gz QXZQUEWMYAMZJV-HUUCEWRRSA-N 1 0 244.338 2.485 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CCCC3)C2)C1 ZINC000442792508 387842087 /nfs/dbraw/zinc/84/20/87/387842087.db2.gz QHKAHXLGCAIREW-RDBSUJKOSA-N 1 0 247.386 2.285 20 30 BEEDRO COC[C@H]([NH2+]Cc1cccc(C#N)c1F)C1CC1 ZINC000347799273 387846875 /nfs/dbraw/zinc/84/68/75/387846875.db2.gz QSGZNEPHVLEHKX-ZDUSSCGKSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH+]1CCCCCC1 ZINC000448676473 387847531 /nfs/dbraw/zinc/84/75/31/387847531.db2.gz IJEQBSODGMOCAT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000433008235 387848877 /nfs/dbraw/zinc/84/88/77/387848877.db2.gz CJVIKUXNAKKBEK-XUXIUFHCSA-N 1 0 241.375 2.371 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@]1(O)CCO[C@@H]1C ZINC000433007948 387849037 /nfs/dbraw/zinc/84/90/37/387849037.db2.gz BQFGONXBAPHNTH-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000433008234 387849256 /nfs/dbraw/zinc/84/92/56/387849256.db2.gz CJVIKUXNAKKBEK-XDQVBPFNSA-N 1 0 241.375 2.371 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)c2ccc(F)cc2)C1 ZINC000442857167 387850766 /nfs/dbraw/zinc/85/07/66/387850766.db2.gz PCZGPLJIMZJONR-DDTOSNHZSA-N 1 0 248.301 2.141 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(C)s1 ZINC000424170809 387861358 /nfs/dbraw/zinc/86/13/58/387861358.db2.gz KSMWMZKVUNKJCN-QWRGUYRKSA-N 1 0 238.356 2.132 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCSC1 ZINC000424170762 387861536 /nfs/dbraw/zinc/86/15/36/387861536.db2.gz JLLGIBMHOXUTTA-SRVKXCTJSA-N 1 0 227.373 2.063 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cccnc1C ZINC000424170810 387861544 /nfs/dbraw/zinc/86/15/44/387861544.db2.gz JSJOVHCRJJBNDM-KBPBESRZSA-N 1 0 232.327 2.071 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000424173494 387870926 /nfs/dbraw/zinc/87/09/26/387870926.db2.gz QAKZZDXJWPSPBC-BNDIWNMDSA-N 1 0 209.333 2.212 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000424173496 387870948 /nfs/dbraw/zinc/87/09/48/387870948.db2.gz QAKZZDXJWPSPBC-LBELIVKGSA-N 1 0 209.333 2.212 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC000353590100 387815085 /nfs/dbraw/zinc/81/50/85/387815085.db2.gz CNOPSRMVRQKQDR-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO C=CC[N@H+](CCC1CCOCC1)C1CC1 ZINC000432779351 387816164 /nfs/dbraw/zinc/81/61/64/387816164.db2.gz HLDVLUWSCQGCHZ-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000424179873 387890373 /nfs/dbraw/zinc/89/03/73/387890373.db2.gz ZIZNTRUACCGJAQ-RVMXOQNASA-N 1 0 209.333 2.356 20 30 BEEDRO CC1(C#N)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000444609559 387890403 /nfs/dbraw/zinc/89/04/03/387890403.db2.gz NMSRNTRHGNARHG-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C)nn(C)c1Cl ZINC000153408780 387890873 /nfs/dbraw/zinc/89/08/73/387890873.db2.gz NOTBSXFSNMWAMR-UHFFFAOYSA-N 1 0 213.712 2.048 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)cc1 ZINC000424175615 387883585 /nfs/dbraw/zinc/88/35/85/387883585.db2.gz QBGBHAKZJUOYQM-ZFWWWQNUSA-N 1 0 247.338 2.376 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(CC)nc1 ZINC000424178193 387888290 /nfs/dbraw/zinc/88/82/90/387888290.db2.gz VRSQOFKUCAFFNC-ZFWWWQNUSA-N 1 0 246.354 2.325 20 30 BEEDRO CC#CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000155036084 387903297 /nfs/dbraw/zinc/90/32/97/387903297.db2.gz AUAUWTGRJTVHCI-UHFFFAOYSA-N 1 0 228.339 2.222 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528357566 387908721 /nfs/dbraw/zinc/90/87/21/387908721.db2.gz ARRBCRDFMVFOMC-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO CCn1nc(C)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1C ZINC000424209873 387930161 /nfs/dbraw/zinc/93/01/61/387930161.db2.gz ZYKIASDJYGLBOF-QWHCGFSZSA-N 1 0 246.358 2.302 20 30 BEEDRO C=CC[C@H]1[N@H+](Cc2cn(C)nn2)CCCC1(C)C ZINC000444793270 387931979 /nfs/dbraw/zinc/93/19/79/387931979.db2.gz RPBIOLDMFSHYSB-CYBMUJFWSA-N 1 0 248.374 2.382 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc(C)c1)C(C)C ZINC000262207883 533220813 /nfs/dbraw/zinc/22/08/13/533220813.db2.gz SZZZXGWXURNXPP-CYBMUJFWSA-N 1 0 229.327 2.379 20 30 BEEDRO C=CC[C@H]1[N@@H+](CCCO)CCCC1(C)C ZINC000444787200 387923862 /nfs/dbraw/zinc/92/38/62/387923862.db2.gz QHTIXUGVTDLNLA-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccncc2)C1 ZINC000424197634 387925823 /nfs/dbraw/zinc/92/58/23/387925823.db2.gz ODVNDTQEOWIPSD-FGPRAXNPSA-N 1 0 227.311 2.377 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(C)C)C1 ZINC000444770944 387927116 /nfs/dbraw/zinc/92/71/16/387927116.db2.gz MSCSLZMQUISOOZ-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000179506147 387928926 /nfs/dbraw/zinc/92/89/26/387928926.db2.gz PEKUTZCQRIVXTK-GFCCVEGCSA-N 1 0 246.358 2.438 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000185039787 387952980 /nfs/dbraw/zinc/95/29/80/387952980.db2.gz HKKOTGYNIWNBGF-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](COC)CC(C)C ZINC000424292638 387955347 /nfs/dbraw/zinc/95/53/47/387955347.db2.gz HBPYZVVSWNQREA-IHRRRGAJSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000321052823 387939565 /nfs/dbraw/zinc/93/95/65/387939565.db2.gz WCNCKSCJMGXBLY-JQWIXIFHSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)nn1 ZINC000424296425 387956325 /nfs/dbraw/zinc/95/63/25/387956325.db2.gz OKHVEZAKGAZXPS-SGMGOOAPSA-N 1 0 248.374 2.378 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CCN(C2CCC2)CC1 ZINC001172492315 974839949 /nfs/dbraw/zinc/83/99/49/974839949.db2.gz KHSQYUODCUYLNM-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C[C@H](NCC(C)(C)CC#N)[C@H]1CCCC[NH2+]1 ZINC000423166075 387950910 /nfs/dbraw/zinc/95/09/10/387950910.db2.gz CEBHQVJXCBJVDA-NWDGAFQWSA-N 1 0 223.364 2.046 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@H]2C(C)C)nn1 ZINC000424297695 387959034 /nfs/dbraw/zinc/95/90/34/387959034.db2.gz RDGHHMBDWAIPLS-KBPBESRZSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC1CC1 ZINC000424301038 387960410 /nfs/dbraw/zinc/96/04/10/387960410.db2.gz ZFIQXYLXIHOKOJ-DRZSPHRISA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)nn1 ZINC000424301073 387962525 /nfs/dbraw/zinc/96/25/25/387962525.db2.gz ZJINKGUHLDKMAF-KGLIPLIRSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](CC)CCC)nn1 ZINC000424296636 387956992 /nfs/dbraw/zinc/95/69/92/387956992.db2.gz PAOSRGSLOBPSFJ-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000453125819 387991793 /nfs/dbraw/zinc/99/17/93/387991793.db2.gz APKPRPMRDNDXFM-JQWIXIFHSA-N 1 0 233.311 2.163 20 30 BEEDRO CC[C@@](C)(C#N)c1nc(C2([NH3+])CCCCC2)no1 ZINC000424339636 387982902 /nfs/dbraw/zinc/98/29/02/387982902.db2.gz DLQDRGOYHAGPTA-LBPRGKRZSA-N 1 0 248.330 2.379 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424352017 387985091 /nfs/dbraw/zinc/98/50/91/387985091.db2.gz NRWXTMLXILHANW-UJPOAAIJSA-N 1 0 204.317 2.457 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C[C@H]1C ZINC000245848954 387986403 /nfs/dbraw/zinc/98/64/03/387986403.db2.gz CNBUDEZNYXLHGJ-UPJWGTAASA-N 1 0 219.332 2.408 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453150068 387998258 /nfs/dbraw/zinc/99/82/58/387998258.db2.gz UCDLSMZYXSNBKQ-NEPJUHHUSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423221352 388001106 /nfs/dbraw/zinc/00/11/06/388001106.db2.gz ZLYQKRGYLZLMCM-WDEREUQCSA-N 1 0 232.327 2.401 20 30 BEEDRO CC#CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453185541 388005073 /nfs/dbraw/zinc/00/50/73/388005073.db2.gz VIWMOQRVZXDKPH-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CCCc1cccnc1 ZINC000453191930 388006550 /nfs/dbraw/zinc/00/65/50/388006550.db2.gz GCMFVGAJFPKEMS-DZGCQCFKSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000548754351 388009251 /nfs/dbraw/zinc/00/92/51/388009251.db2.gz YYFBRWAAAYPTAM-XQQFMLRXSA-N 1 0 236.359 2.058 20 30 BEEDRO C=C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439781013 388019738 /nfs/dbraw/zinc/01/97/38/388019738.db2.gz IPXWNNLQHKBDCV-DGCLKSJQSA-N 1 0 236.359 2.084 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@@H]1CCOC1 ZINC000453289798 388036035 /nfs/dbraw/zinc/03/60/35/388036035.db2.gz JBBGNLRBJQHKRL-RFQIPJPRSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@@H]1CCCOC1 ZINC000446759532 388037438 /nfs/dbraw/zinc/03/74/38/388037438.db2.gz GKNRMURBVBCGPV-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000446820919 388039268 /nfs/dbraw/zinc/03/92/68/388039268.db2.gz JGEYMLNCXCEMLP-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCO1 ZINC000446825312 388040495 /nfs/dbraw/zinc/04/04/95/388040495.db2.gz YXEGWYSPSCXCPD-AAVRWANBSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453309236 388040511 /nfs/dbraw/zinc/04/05/11/388040511.db2.gz PERUJZQADOXXPT-LBPRGKRZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000453308015 388041225 /nfs/dbraw/zinc/04/12/25/388041225.db2.gz MLPXWIKUXJCTRB-NSHDSACASA-N 1 0 236.363 2.204 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)Cc1cnccn1 ZINC000453311196 388042753 /nfs/dbraw/zinc/04/27/53/388042753.db2.gz RYFNGDFSMVJUCF-LLVKDONJSA-N 1 0 219.332 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000453253986 388027234 /nfs/dbraw/zinc/02/72/34/388027234.db2.gz OOOJCJBMVACRBF-LOWDOPEQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ccnc(OC)n1)C1CC1 ZINC000453256539 388028632 /nfs/dbraw/zinc/02/86/32/388028632.db2.gz UFLYQCUNMOUVPC-CYBMUJFWSA-N 1 0 247.342 2.320 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000159772335 388029750 /nfs/dbraw/zinc/02/97/50/388029750.db2.gz YPWHQMHIALRMLA-ZDUSSCGKSA-N 1 0 205.301 2.276 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000453340744 388052428 /nfs/dbraw/zinc/05/24/28/388052428.db2.gz CIPNXFOQAFAZJF-MROQNXINSA-N 1 0 239.359 2.123 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCCC[C@@H]1CCO ZINC000083640358 388056337 /nfs/dbraw/zinc/05/63/37/388056337.db2.gz XOWQPRVWCCXIRB-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000453354358 388057023 /nfs/dbraw/zinc/05/70/23/388057023.db2.gz NJUGPCVRAQNZDK-YUTCNCBUSA-N 1 0 249.358 2.287 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000453355368 388057089 /nfs/dbraw/zinc/05/70/89/388057089.db2.gz LILLNUNWJAAUCQ-BIMULSAOSA-N 1 0 236.290 2.215 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000453359107 388057871 /nfs/dbraw/zinc/05/78/71/388057871.db2.gz NMYVXHCGVYXFMP-UISBYWKRSA-N 1 0 238.356 2.446 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000453359108 388057968 /nfs/dbraw/zinc/05/79/68/388057968.db2.gz NMYVXHCGVYXFMP-XRNSZHNASA-N 1 0 238.356 2.446 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCC12CCC2 ZINC000453380978 388058336 /nfs/dbraw/zinc/05/83/36/388058336.db2.gz ZZZQKQAVSLFUKU-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccncc1F ZINC000453359758 388058662 /nfs/dbraw/zinc/05/86/62/388058662.db2.gz PFKRPGZHSUYVJY-QWRGUYRKSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000453375839 388063829 /nfs/dbraw/zinc/06/38/29/388063829.db2.gz XLRWGORIUPRFGX-SCRDCRAPSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)C1CC1 ZINC000453395557 388071385 /nfs/dbraw/zinc/07/13/85/388071385.db2.gz XHEDLYOSYMELFC-BFHYXJOUSA-N 1 0 223.360 2.482 20 30 BEEDRO CCC(C)(C)OCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000453400699 388072309 /nfs/dbraw/zinc/07/23/09/388072309.db2.gz CSRNAIDKYXLXAC-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOCC2CCCC2)C1 ZINC000453413100 388076542 /nfs/dbraw/zinc/07/65/42/388076542.db2.gz XZLANWGFEWCTKK-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447536398 388076639 /nfs/dbraw/zinc/07/66/39/388076639.db2.gz MZNGMLXOKHKUKX-IHRRRGAJSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCN1C ZINC000447545307 388077062 /nfs/dbraw/zinc/07/70/62/388077062.db2.gz QZATXEGYHNLEKZ-AAVRWANBSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453437813 388082265 /nfs/dbraw/zinc/08/22/65/388082265.db2.gz VFFYKDVXTWYKNW-GXTWGEPZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC[C@H]1CCOC1 ZINC000645925404 388086082 /nfs/dbraw/zinc/08/60/82/388086082.db2.gz PEMHQZKWFUTBEU-MJBXVCDLSA-N 1 0 239.359 2.126 20 30 BEEDRO CCO[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000042422334 388093195 /nfs/dbraw/zinc/09/31/95/388093195.db2.gz JUCHRJUJIQFKAB-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=C(C)C[N@@H+](CC)C[C@H](O)COCCCC ZINC000195130637 388098103 /nfs/dbraw/zinc/09/81/03/388098103.db2.gz BFXANIUMLYRKLQ-ZDUSSCGKSA-N 1 0 229.364 2.062 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000447871810 388099009 /nfs/dbraw/zinc/09/90/09/388099009.db2.gz MICHTWHUHJBKAH-RYUDHWBXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCSCC[NH2+]Cc1c(C)n[nH]c1C ZINC000163892427 388099218 /nfs/dbraw/zinc/09/92/18/388099218.db2.gz ILJJUQHZYBDNCF-UHFFFAOYSA-N 1 0 225.361 2.035 20 30 BEEDRO C=C(C)CC[NH+]1CCC(CCCO)CC1 ZINC000351758749 388107050 /nfs/dbraw/zinc/10/70/50/388107050.db2.gz QJZYTOCJJJWAGT-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000453325178 388047847 /nfs/dbraw/zinc/04/78/47/388047847.db2.gz UDMSUUKTEGSTFI-LBPRGKRZSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCN1CCC1 ZINC000449196977 388156501 /nfs/dbraw/zinc/15/65/01/388156501.db2.gz XWHBAAXJQOTCEA-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CCc1cccc(C)c1 ZINC000449202165 388156804 /nfs/dbraw/zinc/15/68/04/388156804.db2.gz IBWIWAYRYVJZOI-OAHLLOKOSA-N 1 0 233.355 2.312 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCC[C@@H]1C ZINC000449245414 388161578 /nfs/dbraw/zinc/16/15/78/388161578.db2.gz ASFUJONMNNCCPK-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCC[NH2+]Cc1c(C)nnn1CC ZINC000449247338 388161703 /nfs/dbraw/zinc/16/17/03/388161703.db2.gz FLWYVERFPLRFDG-UHFFFAOYSA-N 1 0 222.336 2.052 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1ccoc1 ZINC000449243565 388161744 /nfs/dbraw/zinc/16/17/44/388161744.db2.gz LSRRBROIXSUQFJ-PWSUYJOCSA-N 1 0 206.289 2.492 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1nccnc1OC ZINC000449255046 388163806 /nfs/dbraw/zinc/16/38/06/388163806.db2.gz ZNOAIZWDZUUBNK-NSHDSACASA-N 1 0 235.331 2.320 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CCO[C@H]1C ZINC000449294385 388168747 /nfs/dbraw/zinc/16/87/47/388168747.db2.gz YWAXBHXNXXJAMD-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)NCC(F)F ZINC000449298202 388168813 /nfs/dbraw/zinc/16/88/13/388168813.db2.gz GTKKEZUMTOCPAK-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000449337821 388176148 /nfs/dbraw/zinc/17/61/48/388176148.db2.gz CYEDIHVKVUAFCM-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO CC[C@@H](C[NH2+]C1CCC(C)(C#N)CC1)OC ZINC000449341388 388177065 /nfs/dbraw/zinc/17/70/65/388177065.db2.gz YYBBJLTTYGDVNX-CPCZMJQVSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC(C)(C)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC000456116497 388179435 /nfs/dbraw/zinc/17/94/35/388179435.db2.gz MRUSUBILYAVKTC-UHFFFAOYSA-N 1 0 235.331 2.016 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000590761507 388130109 /nfs/dbraw/zinc/13/01/09/388130109.db2.gz XKHNCPHPFZCOJU-XQQFMLRXSA-N 1 0 237.343 2.110 20 30 BEEDRO CC#CCC[N@@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096885 388142307 /nfs/dbraw/zinc/14/23/07/388142307.db2.gz VGWLWTVGVCNYAJ-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC[N@H+]1CC2(C[C@@H]1C)CCOCC2 ZINC000646096314 388142752 /nfs/dbraw/zinc/14/27/52/388142752.db2.gz MWQFQJVCJYDGSI-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO CCN(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449107200 388143394 /nfs/dbraw/zinc/14/33/94/388143394.db2.gz LNZGHPHWLMGANL-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO CC(C)[C@H](O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449152028 388149232 /nfs/dbraw/zinc/14/92/32/388149232.db2.gz CLFDLOWSARGYAZ-ROKHWSDSSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@@H](COC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449163474 388150898 /nfs/dbraw/zinc/15/08/98/388150898.db2.gz MJBFYRPTAGQDSC-HIFPTAJRSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1CCN(C(C)=O)C1 ZINC000449183718 388154288 /nfs/dbraw/zinc/15/42/88/388154288.db2.gz LJBJMJOBXVATNQ-JSGCOSHPSA-N 1 0 238.375 2.332 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CNCc2cc(C#N)cs2)C1 ZINC000093492636 388251848 /nfs/dbraw/zinc/25/18/48/388251848.db2.gz ALWWCSHOVURSOC-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCCOC1)C1CCCC1 ZINC000490821269 388255891 /nfs/dbraw/zinc/25/58/91/388255891.db2.gz SYKLNGQCQUHRGT-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[N@H+](CC)CCc1ccc(F)c(F)c1 ZINC000490829635 388256314 /nfs/dbraw/zinc/25/63/14/388256314.db2.gz CYGLFGSDFAIACU-UHFFFAOYSA-N 1 0 223.266 2.462 20 30 BEEDRO C#CC[N@@H+](CCCc1nc(C)no1)C1CCCC1 ZINC000490866466 388257314 /nfs/dbraw/zinc/25/73/14/388257314.db2.gz PGQFGHNPJJOCCM-UHFFFAOYSA-N 1 0 247.342 2.188 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)CCC)CC1 ZINC000490865646 388257536 /nfs/dbraw/zinc/25/75/36/388257536.db2.gz FSZQVWDETDLXMT-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000449404828 388196144 /nfs/dbraw/zinc/19/61/44/388196144.db2.gz FQABDFGNXWUULD-UHFFFAOYSA-N 1 0 247.346 2.102 20 30 BEEDRO CCc1nocc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449445527 388207620 /nfs/dbraw/zinc/20/76/20/388207620.db2.gz JWJZYOOQQMBVHD-JQWIXIFHSA-N 1 0 233.315 2.409 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1nc(CC)cc(=O)[nH]1 ZINC000489428888 388212454 /nfs/dbraw/zinc/21/24/54/388212454.db2.gz FOLBDWVMOKPCHP-GFCCVEGCSA-N 1 0 247.342 2.285 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000449473299 388213456 /nfs/dbraw/zinc/21/34/56/388213456.db2.gz HNWKPWPLNKOTED-UHFFFAOYSA-N 1 0 240.310 2.262 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCCC(=O)OCC ZINC000489444273 388215392 /nfs/dbraw/zinc/21/53/92/388215392.db2.gz WIADJFSVECYVRA-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ncc(COC)s1 ZINC000449479173 388215595 /nfs/dbraw/zinc/21/55/95/388215595.db2.gz UUBITQHRANXZMK-UHFFFAOYSA-N 1 0 226.345 2.345 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000517925965 256554244 /nfs/dbraw/zinc/55/42/44/256554244.db2.gz RATKIDKBQUDUJE-KGLIPLIRSA-N 1 0 230.311 2.410 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)o1 ZINC000449517271 388221885 /nfs/dbraw/zinc/22/18/85/388221885.db2.gz FBIIQFFUJLCNDO-NEPJUHHUSA-N 1 0 207.273 2.021 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000449519854 388222421 /nfs/dbraw/zinc/22/24/21/388222421.db2.gz OCQZCFHWVLTDBW-CABCVRRESA-N 1 0 247.338 2.266 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000449517716 388222459 /nfs/dbraw/zinc/22/24/59/388222459.db2.gz HATGHJIMOKZHLS-CABCVRRESA-N 1 0 242.322 2.300 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccccn1 ZINC000449520813 388223801 /nfs/dbraw/zinc/22/38/01/388223801.db2.gz QKCVCLUATDQIML-UHTWSYAYSA-N 1 0 218.300 2.076 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000449523778 388224138 /nfs/dbraw/zinc/22/41/38/388224138.db2.gz YMGOPEKQXRHCIT-UPJWGTAASA-N 1 0 237.343 2.021 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)O ZINC000449535074 388225862 /nfs/dbraw/zinc/22/58/62/388225862.db2.gz CXEOEHHBFIOMNJ-IGJPJIBNSA-N 1 0 224.348 2.208 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H](C)O ZINC000449535071 388226477 /nfs/dbraw/zinc/22/64/77/388226477.db2.gz CXEOEHHBFIOMNJ-CQLXCSJHSA-N 1 0 224.348 2.208 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@@H]1CC ZINC000449546247 388228978 /nfs/dbraw/zinc/22/89/78/388228978.db2.gz BDCNXKSHXVFAJY-RVMXOQNASA-N 1 0 209.333 2.498 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(F)cc(F)c1 ZINC000490900536 388259742 /nfs/dbraw/zinc/25/97/42/388259742.db2.gz VTIYGGWOLSNWDM-UHFFFAOYSA-N 1 0 209.239 2.420 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1scnc1C ZINC000449549576 388229652 /nfs/dbraw/zinc/22/96/52/388229652.db2.gz ZGNJFYRSRPCPIY-MNOVXSKESA-N 1 0 238.356 2.275 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000449548964 388229840 /nfs/dbraw/zinc/22/98/40/388229840.db2.gz SNWYONKUHCAUMW-TUAOUCFPSA-N 1 0 227.373 2.063 20 30 BEEDRO C#CC[N@@H+](CCOC)[C@@H](C)c1ccccc1 ZINC000490593936 388241826 /nfs/dbraw/zinc/24/18/26/388241826.db2.gz GVFPHKSQZBXNQG-ZDUSSCGKSA-N 1 0 217.312 2.329 20 30 BEEDRO C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(C#N)cc1 ZINC000037267153 388243202 /nfs/dbraw/zinc/24/32/02/388243202.db2.gz ZCJQZCWMSCOCLQ-LBPRGKRZSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000459421494 388243759 /nfs/dbraw/zinc/24/37/59/388243759.db2.gz ZNAXRMIDJBOKPB-USZNOCQGSA-N 1 0 229.389 2.450 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449624189 388244894 /nfs/dbraw/zinc/24/48/94/388244894.db2.gz NDMPQYGTEIUAMQ-SRVKXCTJSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449640579 388246341 /nfs/dbraw/zinc/24/63/41/388246341.db2.gz SJTKSQGUOWLWQJ-RNJOBUHISA-N 1 0 224.348 2.208 20 30 BEEDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449640577 388247474 /nfs/dbraw/zinc/24/74/74/388247474.db2.gz SJTKSQGUOWLWQJ-CYDGBPFRSA-N 1 0 224.348 2.208 20 30 BEEDRO C#CCN(CC#CC)Cc1cnn(C(C)(C)C)c1 ZINC000490924203 388260469 /nfs/dbraw/zinc/26/04/69/388260469.db2.gz OFGUFNOCFDOFOF-UHFFFAOYSA-N 1 0 243.354 2.097 20 30 BEEDRO CO[C@H]1CC[N@H+](CCC(C)(C)C#N)C[C@@H]1C ZINC000451556017 388281498 /nfs/dbraw/zinc/28/14/98/388281498.db2.gz CKYGWVFWKRETPT-RYUDHWBXSA-N 1 0 224.348 2.283 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@H](OCC)[C@H]1SC)C(C)C ZINC000491297229 388283687 /nfs/dbraw/zinc/28/36/87/388283687.db2.gz PIWUSWRUASONTI-RNJOBUHISA-N 1 0 241.400 2.143 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCOCCC(C)C ZINC000451672645 388289212 /nfs/dbraw/zinc/28/92/12/388289212.db2.gz IRILLBRHUIKLGS-KGLIPLIRSA-N 1 0 241.375 2.372 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccnn1C1CCCC1 ZINC000491371727 388289473 /nfs/dbraw/zinc/28/94/73/388289473.db2.gz GRSCDECEROAHJU-LBPRGKRZSA-N 1 0 231.343 2.500 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)c1ccccc1 ZINC000491375977 388289660 /nfs/dbraw/zinc/28/96/60/388289660.db2.gz YGOWRAYJFXYZMT-GFCCVEGCSA-N 1 0 215.296 2.213 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCCF ZINC000451685653 388289685 /nfs/dbraw/zinc/28/96/85/388289685.db2.gz XTLRRTQWSDZCMT-NEPJUHHUSA-N 1 0 215.312 2.449 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000491375551 388289982 /nfs/dbraw/zinc/28/99/82/388289982.db2.gz WLOPUOPUHYFRHC-GFCCVEGCSA-N 1 0 212.296 2.206 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451700173 388290321 /nfs/dbraw/zinc/29/03/21/388290321.db2.gz FVHWKDUWCGQRLQ-UPJWGTAASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451705524 388290679 /nfs/dbraw/zinc/29/06/79/388290679.db2.gz ZBSRYXUSVDAZSL-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451701801 388290777 /nfs/dbraw/zinc/29/07/77/388290777.db2.gz RKXSZICPHLKCHW-MCIONIFRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451719805 388291257 /nfs/dbraw/zinc/29/12/57/388291257.db2.gz XMZKUKIFALYIJU-RDBSUJKOSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1 ZINC000451719802 388291669 /nfs/dbraw/zinc/29/16/69/388291669.db2.gz XMZKUKIFALYIJU-HZSPNIEDSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(CC)C[C@@H]1CC ZINC000451743977 388292502 /nfs/dbraw/zinc/29/25/02/388292502.db2.gz UZNPXEQMMZLDCT-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CC[C@@H]1C[N@H+](CC)CCN1CCC(C)(C)C#N ZINC000451746264 388293577 /nfs/dbraw/zinc/29/35/77/388293577.db2.gz YWWVUODZFQPDPZ-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000491427942 388293928 /nfs/dbraw/zinc/29/39/28/388293928.db2.gz MQGILUVKYBBQSB-UHFFFAOYSA-N 1 0 224.307 2.464 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OC)C1CC1)C1CCCC1 ZINC000491450627 388295163 /nfs/dbraw/zinc/29/51/63/388295163.db2.gz BCSGBTZLWBRNNW-CQSZACIVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[N@@H+](CCCCC1(C)OCCO1)C1CC1 ZINC000491497095 388299075 /nfs/dbraw/zinc/29/90/75/388299075.db2.gz VGQCQPXPEVYPDY-UHFFFAOYSA-N 1 0 237.343 2.017 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC=C)c1ccc(Cl)cc1 ZINC000491497701 388299432 /nfs/dbraw/zinc/29/94/32/388299432.db2.gz ZJQBHMPGUSBCHP-GFCCVEGCSA-N 1 0 247.729 2.314 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000451848770 388300562 /nfs/dbraw/zinc/30/05/62/388300562.db2.gz JGXCPTIXIQFOBX-LLVKDONJSA-N 1 0 226.364 2.044 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000451852982 388301000 /nfs/dbraw/zinc/30/10/00/388301000.db2.gz OTPOVBCHALGIMY-NWDGAFQWSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451853214 388301304 /nfs/dbraw/zinc/30/13/04/388301304.db2.gz OTPOVBCHALGIMY-VXGBXAGGSA-N 1 0 209.333 2.452 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000491536852 388301970 /nfs/dbraw/zinc/30/19/70/388301970.db2.gz MTKFTMALGGFCKN-GFCCVEGCSA-N 1 0 212.296 2.320 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1)C[C@H]1CCOC1 ZINC000491618538 388305215 /nfs/dbraw/zinc/30/52/15/388305215.db2.gz LNYJCFPDTDDDCW-OAHLLOKOSA-N 1 0 229.323 2.158 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)[C@@H](C)c1ccccc1)C(C)C ZINC000491620469 388305353 /nfs/dbraw/zinc/30/53/53/388305353.db2.gz DZGAMHGUUOPXEE-BPUTZDHNSA-N 1 0 245.366 2.398 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000491654091 388308312 /nfs/dbraw/zinc/30/83/12/388308312.db2.gz OZSKRCJLWHLTLR-SNVBAGLBSA-N 1 0 248.282 2.057 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000491657735 388308579 /nfs/dbraw/zinc/30/85/79/388308579.db2.gz JKQKGBFQOSDPFT-LBPRGKRZSA-N 1 0 228.295 2.042 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2c(c1)ncn2C ZINC000491657509 388308601 /nfs/dbraw/zinc/30/86/01/388308601.db2.gz GJKGCLGBAQAKMR-LBPRGKRZSA-N 1 0 227.311 2.075 20 30 BEEDRO C#CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000491689598 388310810 /nfs/dbraw/zinc/31/08/10/388310810.db2.gz JBVCNEOQJJNFJK-GFCCVEGCSA-N 1 0 235.352 2.175 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000491695152 388311907 /nfs/dbraw/zinc/31/19/07/388311907.db2.gz WWDFFAVSYDBMMG-SECBINFHSA-N 1 0 209.239 2.418 20 30 BEEDRO C#CC[N@@H+](CCc1cccc(C)n1)C1CC1 ZINC000491702990 388312865 /nfs/dbraw/zinc/31/28/65/388312865.db2.gz NBSQAKBCHDECFN-UHFFFAOYSA-N 1 0 214.312 2.030 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1c(C)cc(OC)nc1C ZINC000491704763 388313183 /nfs/dbraw/zinc/31/31/83/388313183.db2.gz BTFQINFCKYPNQF-NSHDSACASA-N 1 0 232.327 2.161 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000491710177 388313793 /nfs/dbraw/zinc/31/37/93/388313793.db2.gz SWAITHJVRZLMQK-HIFPTAJRSA-N 1 0 204.317 2.460 20 30 BEEDRO C#CCN(C)Cc1nnc(-c2ccc(C)cc2)o1 ZINC000491717270 388314309 /nfs/dbraw/zinc/31/43/09/388314309.db2.gz VYYWLOAVKLKRBQ-UHFFFAOYSA-N 1 0 241.294 2.110 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C(C)(C)C)C1CCCC1 ZINC000491731553 388315966 /nfs/dbraw/zinc/31/59/66/388315966.db2.gz IRXSAYZAKQVCFH-CYBMUJFWSA-N 1 0 223.360 2.271 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000491742029 388316914 /nfs/dbraw/zinc/31/69/14/388316914.db2.gz SDSZGYPCYOUIOS-NSHDSACASA-N 1 0 247.338 2.466 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)c1ccc(F)cc1C ZINC000491788598 388321130 /nfs/dbraw/zinc/32/11/30/388321130.db2.gz STUXHSVUTZOOEN-FZMZJTMJSA-N 1 0 235.302 2.121 20 30 BEEDRO C#CC[N@@H+](CCCCn1ccnc1C)C1CC1 ZINC000491801985 388321672 /nfs/dbraw/zinc/32/16/72/388321672.db2.gz FCSABHZPSDJIRJ-UHFFFAOYSA-N 1 0 231.343 2.069 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccn(CCC)c1 ZINC000491805839 388321892 /nfs/dbraw/zinc/32/18/92/388321892.db2.gz PKVSCFWKUIFPEM-LBPRGKRZSA-N 1 0 204.317 2.352 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000336663347 388262389 /nfs/dbraw/zinc/26/23/89/388262389.db2.gz CWOSCNJBXFDHGY-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)s1 ZINC000230315344 388264066 /nfs/dbraw/zinc/26/40/66/388264066.db2.gz MSSPPXXSMIQVHA-OLZOCXBDSA-N 1 0 248.351 2.277 20 30 BEEDRO C#C[C@H]([NH2+]Cc1conc1CC)C(C)(C)C ZINC000491071587 388268127 /nfs/dbraw/zinc/26/81/27/388268127.db2.gz LSGZRXBVOICYCP-LBPRGKRZSA-N 1 0 220.316 2.375 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](OC)c1ccccc1 ZINC000491101776 388269663 /nfs/dbraw/zinc/26/96/63/388269663.db2.gz KXZLIZIMXXZSGI-TZMCWYRMSA-N 1 0 217.312 2.328 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000451485969 388277540 /nfs/dbraw/zinc/27/75/40/388277540.db2.gz JKLLTYLTBNCOEW-OCCSQVGLSA-N 1 0 241.375 2.372 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCOCC(F)(F)F ZINC000491210758 388278123 /nfs/dbraw/zinc/27/81/23/388278123.db2.gz YJSYIBRMYFPRNC-UHFFFAOYSA-N 1 0 237.265 2.299 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451522749 388278431 /nfs/dbraw/zinc/27/84/31/388278431.db2.gz BUFPQWZGVMYHOT-KGLIPLIRSA-N 1 0 241.375 2.326 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)nc1 ZINC000593974959 388345913 /nfs/dbraw/zinc/34/59/13/388345913.db2.gz GLWHZUNBUSYUQA-GXTWGEPZSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)nc1 ZINC000593974962 388346177 /nfs/dbraw/zinc/34/61/77/388346177.db2.gz GLWHZUNBUSYUQA-TZMCWYRMSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1ccc(C2([NH2+]CCCCO)CCC2)cc1 ZINC000594032460 388347249 /nfs/dbraw/zinc/34/72/49/388347249.db2.gz STNGEHHRJWGFBQ-UHFFFAOYSA-N 1 0 244.338 2.300 20 30 BEEDRO C[N@H+]1CC=C(CNc2ccc(C#N)cc2)CC1 ZINC000271792144 388404708 /nfs/dbraw/zinc/40/47/08/388404708.db2.gz JIZBHIUFWIRESN-UHFFFAOYSA-N 1 0 227.311 2.232 20 30 BEEDRO C[C@@H]1C[C@@H](C)[NH+]1CCOc1ccc(C#N)cc1 ZINC000548424698 388359204 /nfs/dbraw/zinc/35/92/04/388359204.db2.gz JGQMVHVUGMXBKN-VXGBXAGGSA-N 1 0 230.311 2.420 20 30 BEEDRO N#Cc1cc(F)ccc1N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132485822 388360227 /nfs/dbraw/zinc/36/02/27/388360227.db2.gz ZFZYYGSKNDLHPU-OLZOCXBDSA-N 1 0 245.301 2.028 20 30 BEEDRO CCn1cc(C[N@H+](C)[C@H]2CC[C@H](C#N)C2)cn1 ZINC000519549897 256651466 /nfs/dbraw/zinc/65/14/66/256651466.db2.gz HVPAKRKDANBGCJ-AAEUAGOBSA-N 1 0 232.331 2.027 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@H]2CCSC2)c1 ZINC000228557968 388385917 /nfs/dbraw/zinc/38/59/17/388385917.db2.gz JDWSALKRRHYSPM-SECBINFHSA-N 1 0 238.381 2.462 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000237045636 388388888 /nfs/dbraw/zinc/38/88/88/388388888.db2.gz DLUBDLRXPPQILH-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H](CCCCO)[NH2+]Cc1cccc(C#N)c1 ZINC000272273973 388400965 /nfs/dbraw/zinc/40/09/65/388400965.db2.gz LUBGTELWNGIHTH-GFCCVEGCSA-N 1 0 232.327 2.199 20 30 BEEDRO C[C@H](CCCCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000272289763 388401737 /nfs/dbraw/zinc/40/17/37/388401737.db2.gz NXQRDABWCUVGSE-GFCCVEGCSA-N 1 0 232.327 2.199 20 30 BEEDRO CCOCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271770284 388402925 /nfs/dbraw/zinc/40/29/25/388402925.db2.gz JPJINIGMIDUGKT-UHFFFAOYSA-N 1 0 230.311 2.173 20 30 BEEDRO CC(C)OCCC[N@H+](C)CC(C)(C)C#N ZINC000405146960 388452262 /nfs/dbraw/zinc/45/22/62/388452262.db2.gz DJJGHLPRSYLMCB-UHFFFAOYSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](Cc1ccoc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309535994 388456834 /nfs/dbraw/zinc/45/68/34/388456834.db2.gz DZUUTALZOXVKED-NTZNESFSSA-N 1 0 218.300 2.492 20 30 BEEDRO CC1(C#N)CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000336432099 388457837 /nfs/dbraw/zinc/45/78/37/388457837.db2.gz REQUPQRUSSGPAP-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000336702389 388465442 /nfs/dbraw/zinc/46/54/42/388465442.db2.gz OBKQOMWBYDHHRV-VXGBXAGGSA-N 1 0 217.316 2.352 20 30 BEEDRO C=C(C)[C@H](CO)N(C)Cc1csc(CC)n1 ZINC000649256224 388472375 /nfs/dbraw/zinc/47/23/75/388472375.db2.gz XASKSZPOGJBYRV-NSHDSACASA-N 1 0 240.372 2.074 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnn(CC(C)C)c1 ZINC000310018614 388472973 /nfs/dbraw/zinc/47/29/73/388472973.db2.gz MBHUUSXZYYKPST-CYBMUJFWSA-N 1 0 219.332 2.041 20 30 BEEDRO C[C@@H]1CCN(CC[NH2+]CC(C)(C)CCC#N)C1 ZINC000524771337 388408902 /nfs/dbraw/zinc/40/89/02/388408902.db2.gz FRLVFQIRMXIQRS-CYBMUJFWSA-N 1 0 237.391 2.248 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CC ZINC000524811418 388409969 /nfs/dbraw/zinc/40/99/69/388409969.db2.gz JTJVMLSWNOESJR-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000338943677 388478847 /nfs/dbraw/zinc/47/88/47/388478847.db2.gz GVIHUXIGPVQYJK-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271928308 388412949 /nfs/dbraw/zinc/41/29/49/388412949.db2.gz JWLGEGFTSUYETG-SKDRFNHKSA-N 1 0 236.290 2.119 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000069520258 388418789 /nfs/dbraw/zinc/41/87/89/388418789.db2.gz YBHPOVOHOSULGS-LBPRGKRZSA-N 1 0 229.279 2.185 20 30 BEEDRO CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443994711 388424925 /nfs/dbraw/zinc/42/49/25/388424925.db2.gz OYBIPWKXQLFSHH-ABAIWWIYSA-N 1 0 246.354 2.363 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245860190 388432998 /nfs/dbraw/zinc/43/29/98/388432998.db2.gz FHDZQMGADHOOAX-WFASDCNBSA-N 1 0 244.338 2.466 20 30 BEEDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000174134717 388435599 /nfs/dbraw/zinc/43/55/99/388435599.db2.gz ZJURRFGRKIIFLC-OCCSQVGLSA-N 1 0 248.326 2.444 20 30 BEEDRO CO[C@H](C[NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000174132325 388435618 /nfs/dbraw/zinc/43/56/18/388435618.db2.gz OFEYVJTXPSSZRL-GFCCVEGCSA-N 1 0 236.315 2.302 20 30 BEEDRO C[N@H+](C[C@H]1CCCC[C@@H]1O)CC(C)(C)C#N ZINC000517154327 388539966 /nfs/dbraw/zinc/53/99/66/388539966.db2.gz PPZKDANJPROZLG-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C[C@H](CC(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000649273237 388484053 /nfs/dbraw/zinc/48/40/53/388484053.db2.gz ZACAJNGVJBTULW-CYBMUJFWSA-N 1 0 246.354 2.154 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2c(n1)CCC2 ZINC000491294652 256787741 /nfs/dbraw/zinc/78/77/41/256787741.db2.gz CKFIRHUCCOVALI-LLVKDONJSA-N 1 0 214.312 2.024 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648913644 388490167 /nfs/dbraw/zinc/49/01/67/388490167.db2.gz GMCCJTVPEQERRG-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000343535958 388500999 /nfs/dbraw/zinc/50/09/99/388500999.db2.gz QZCQZZVMJSDEGQ-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000547990218 388501173 /nfs/dbraw/zinc/50/11/73/388501173.db2.gz MAAKIUFWSCQZIJ-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000343549633 388501392 /nfs/dbraw/zinc/50/13/92/388501392.db2.gz KATZIGAMCLETGJ-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO COCCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000528578360 388549182 /nfs/dbraw/zinc/54/91/82/388549182.db2.gz WDYBFNCIYTYIIG-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312254343 388508291 /nfs/dbraw/zinc/50/82/91/388508291.db2.gz IKQUDQSEDYSYEF-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO C=CCN1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000177906202 388523688 /nfs/dbraw/zinc/52/36/88/388523688.db2.gz NSKUNUHHKARMDK-UHFFFAOYSA-N 1 0 234.387 2.415 20 30 BEEDRO N#CCC[C@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000108102789 388586251 /nfs/dbraw/zinc/58/62/51/388586251.db2.gz BFIPNKRSFRHIPX-UPJWGTAASA-N 1 0 217.316 2.162 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1nccc(C)c1C#N ZINC000273270815 388593367 /nfs/dbraw/zinc/59/33/67/388593367.db2.gz BRYVNCJUUDYVMM-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)CC1CCOCC1 ZINC000136959852 388552756 /nfs/dbraw/zinc/55/27/56/388552756.db2.gz WURPRGSFXXPDBI-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCC[N@H+]1CC2CC1(c1nc(C)no1)C2 ZINC000528630702 388553347 /nfs/dbraw/zinc/55/33/47/388553347.db2.gz HLLRBWBJVKOVRD-UHFFFAOYSA-N 1 0 233.315 2.265 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000548751682 388555765 /nfs/dbraw/zinc/55/57/65/388555765.db2.gz WDASDPSLFPFELU-TXEJJXNPSA-N 1 0 229.389 2.405 20 30 BEEDRO COCCCC[N@H+](CCC#N)CC1CC1 ZINC000081065607 388566534 /nfs/dbraw/zinc/56/65/34/388566534.db2.gz IPFZUWUQVWXFAH-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000528758932 388568290 /nfs/dbraw/zinc/56/82/90/388568290.db2.gz MGGQEXZNLNCCRG-HLPPOEQASA-N 1 0 243.350 2.440 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC(F)(F)C[C@@H]1C ZINC000528767230 388570483 /nfs/dbraw/zinc/57/04/83/388570483.db2.gz MINJVRVNEBLSCY-WDEREUQCSA-N 1 0 233.302 2.433 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000552136156 388575157 /nfs/dbraw/zinc/57/51/57/388575157.db2.gz YNVLZXOZJCDPCC-LBPRGKRZSA-N 1 0 249.383 2.146 20 30 BEEDRO C=CC[NH2+][C@@H](c1ccc(OC)nc1)C1CC1 ZINC000528846002 388578274 /nfs/dbraw/zinc/57/82/74/388578274.db2.gz HEVULNNYFLCNTL-CYBMUJFWSA-N 1 0 218.300 2.317 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000552379716 388580857 /nfs/dbraw/zinc/58/08/57/388580857.db2.gz PFSTWRRTVYMHNF-BDAKNGLRSA-N 1 0 206.314 2.460 20 30 BEEDRO COCC[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000414487664 388665038 /nfs/dbraw/zinc/66/50/38/388665038.db2.gz VPLBVAPARMYLOU-JTQLQIEISA-N 1 0 238.356 2.382 20 30 BEEDRO Cc1ccc(C#N)cc1NC(=O)C[N@@H+](C)C(C)C ZINC000064070871 388665057 /nfs/dbraw/zinc/66/50/57/388665057.db2.gz GMZNMKVQQFUEHK-UHFFFAOYSA-N 1 0 245.326 2.145 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000076346615 388666339 /nfs/dbraw/zinc/66/63/39/388666339.db2.gz DVYOFXIUGHJITM-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@@H]1C[N@@H+](Cc2ccc(C#N)cn2)C[C@H](C)S1 ZINC000520423567 388668106 /nfs/dbraw/zinc/66/81/06/388668106.db2.gz GAOLJGZKGKDSLX-PHIMTYICSA-N 1 0 247.367 2.279 20 30 BEEDRO C[C@H](CNc1c(C#N)cccc1C#N)C[NH+](C)C ZINC000489026211 388673106 /nfs/dbraw/zinc/67/31/06/388673106.db2.gz PBQXZNONYLJDAQ-LLVKDONJSA-N 1 0 242.326 2.040 20 30 BEEDRO C[C@H](Nc1cc(C#N)ccn1)C(C)(C)C[NH+](C)C ZINC000521653967 388673505 /nfs/dbraw/zinc/67/35/05/388673505.db2.gz IMFQDDZKGYZQMI-NSHDSACASA-N 1 0 246.358 2.341 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CCc2cccc(C#N)c2)CO1 ZINC000418040482 388675271 /nfs/dbraw/zinc/67/52/71/388675271.db2.gz IUNKVLPXRPUFBT-AWEZNQCLSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2nc(C#N)cs2)[C@@H](C)[C@H]1C ZINC000418132293 388675400 /nfs/dbraw/zinc/67/54/00/388675400.db2.gz YUYTURYUOPFXFA-UTLUCORTSA-N 1 0 235.356 2.491 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000077897265 388678690 /nfs/dbraw/zinc/67/86/90/388678690.db2.gz VRSSBDZCOOYSPU-GFCCVEGCSA-N 1 0 230.311 2.027 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000077897273 388678744 /nfs/dbraw/zinc/67/87/44/388678744.db2.gz MMZGQFSRJXTACD-GFCCVEGCSA-N 1 0 248.301 2.166 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1cccc(C#N)c1F ZINC000302610141 388623277 /nfs/dbraw/zinc/62/32/77/388623277.db2.gz NCXYOPULYWUCEI-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO N#Cc1csc(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000554574403 388625305 /nfs/dbraw/zinc/62/53/05/388625305.db2.gz COMAFMGHDIMYDC-UHFFFAOYSA-N 1 0 248.351 2.375 20 30 BEEDRO CC[C@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000403991888 388631609 /nfs/dbraw/zinc/63/16/09/388631609.db2.gz SIRBQDFVUVLIBJ-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1 ZINC000230151854 388634566 /nfs/dbraw/zinc/63/45/66/388634566.db2.gz JTYMWNOFPWYUFW-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000230151253 388634673 /nfs/dbraw/zinc/63/46/73/388634673.db2.gz XRGVQVJDUPNIJJ-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000230314979 388636249 /nfs/dbraw/zinc/63/62/49/388636249.db2.gz QNQOYNYTSJYVLM-HUUCEWRRSA-N 1 0 242.322 2.215 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000230313408 388636829 /nfs/dbraw/zinc/63/68/29/388636829.db2.gz ZNINIZDLTWEBIO-LSDHHAIUSA-N 1 0 242.322 2.215 20 30 BEEDRO N#CC1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCC1 ZINC000405104013 388637494 /nfs/dbraw/zinc/63/74/94/388637494.db2.gz FUZBSSIELNJNAK-KGLIPLIRSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccc(C#N)cc1 ZINC000109543480 388640195 /nfs/dbraw/zinc/64/01/95/388640195.db2.gz CRKWSWXRJJCLMC-BXUZGUMPSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCCOC1)c1cccc(C#N)c1 ZINC000109545752 388640425 /nfs/dbraw/zinc/64/04/25/388640425.db2.gz PJGMLOWULMFAKJ-FZMZJTMJSA-N 1 0 230.311 2.388 20 30 BEEDRO Cc1cc(C#N)cc(NC2CC[NH+](C)CC2)c1 ZINC000308105110 388657076 /nfs/dbraw/zinc/65/70/76/388657076.db2.gz LVJLYJJMCSZHSL-UHFFFAOYSA-N 1 0 229.327 2.373 20 30 BEEDRO COC1([C@@H](C)[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000414525891 388664503 /nfs/dbraw/zinc/66/45/03/388664503.db2.gz NHRUPNVDMSTYRF-SNVBAGLBSA-N 1 0 234.299 2.198 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623920737 388741483 /nfs/dbraw/zinc/74/14/83/388741483.db2.gz WNBDOSZKYCHAMF-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037886431 388744071 /nfs/dbraw/zinc/74/40/71/388744071.db2.gz HEHQFXRPAYJOSZ-JTQLQIEISA-N 1 0 240.310 2.441 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000093760984 388746887 /nfs/dbraw/zinc/74/68/87/388746887.db2.gz LIOYCDMETXQEDA-JTQLQIEISA-N 1 0 236.340 2.479 20 30 BEEDRO CC[C@H](CO)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000278213711 388753004 /nfs/dbraw/zinc/75/30/04/388753004.db2.gz IGUFNTQZBKLNKF-KGLIPLIRSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@H]([NH3+])CCN[C@@H](C)c1ccc(C#N)cc1F ZINC000423227340 388689107 /nfs/dbraw/zinc/68/91/07/388689107.db2.gz VIVZJZVHYSJWHK-UWVGGRQHSA-N 1 0 235.306 2.085 20 30 BEEDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423272209 388689120 /nfs/dbraw/zinc/68/91/20/388689120.db2.gz JPYSHYKLPZSZSV-IINYFYTJSA-N 1 0 249.333 2.331 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000423275758 388689446 /nfs/dbraw/zinc/68/94/46/388689446.db2.gz NIMFLVSYCGJRDJ-SWLSCSKDSA-N 1 0 245.370 2.454 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cccc(C#N)c1 ZINC000423358310 388690792 /nfs/dbraw/zinc/69/07/92/388690792.db2.gz JICDPUIJRGUCNU-XUJVJEKNSA-N 1 0 243.354 2.207 20 30 BEEDRO C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423453510 388692326 /nfs/dbraw/zinc/69/23/26/388692326.db2.gz XTDZLZOBXXXNOI-GUBZILKMSA-N 1 0 235.306 2.084 20 30 BEEDRO CC[C@H](N[C@H](C)[C@@H](C)[NH3+])c1ccc(C#N)cc1 ZINC000423440116 388692987 /nfs/dbraw/zinc/69/29/87/388692987.db2.gz AOPNTEDAHAKXHK-GYSYKLTISA-N 1 0 231.343 2.335 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000126329507 388694268 /nfs/dbraw/zinc/69/42/68/388694268.db2.gz AUJAQEPLCOITSD-NEPJUHHUSA-N 1 0 247.404 2.144 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000248823760 388694702 /nfs/dbraw/zinc/69/47/02/388694702.db2.gz YUBPFISSJPNNIZ-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(C#N)cc1 ZINC000079473721 388695991 /nfs/dbraw/zinc/69/59/91/388695991.db2.gz CUOSBXFNZULGCF-LLVKDONJSA-N 1 0 230.311 2.245 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(C#N)cc1F ZINC000079742074 388698341 /nfs/dbraw/zinc/69/83/41/388698341.db2.gz ZKJSSHDKTLZMJI-GFCCVEGCSA-N 1 0 236.290 2.212 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000527803862 388700926 /nfs/dbraw/zinc/70/09/26/388700926.db2.gz KZFHHMGBEVNHMR-UUIJZJDISA-N 1 0 244.338 2.460 20 30 BEEDRO CCC(O)(CC)CCNc1cc(C)ncc1C#N ZINC000425252036 388702388 /nfs/dbraw/zinc/70/23/88/388702388.db2.gz GJDJBVBOOUJLBZ-UHFFFAOYSA-N 1 0 247.342 2.037 20 30 BEEDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccc(C#N)cc1 ZINC000527981212 388702400 /nfs/dbraw/zinc/70/24/00/388702400.db2.gz LYUQQFLOGXDZDX-NUYPLMSZSA-N 1 0 242.322 2.388 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCCOCC2)C1 ZINC000249037910 388704722 /nfs/dbraw/zinc/70/47/22/388704722.db2.gz TXEAAIBMRKACAE-AGIUHOORSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H](O)C[N@H+](C)[C@H](C)c1cccc(C#N)c1 ZINC000425539788 388706362 /nfs/dbraw/zinc/70/63/62/388706362.db2.gz UQSWFPQOGRQXDE-BXUZGUMPSA-N 1 0 232.327 2.322 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249058478 388706942 /nfs/dbraw/zinc/70/69/42/388706942.db2.gz ZJXFIDJEIALBGX-RVMXOQNASA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000193574033 388709323 /nfs/dbraw/zinc/70/93/23/388709323.db2.gz AMNJEZFKNZPIGZ-UONOGXRCSA-N 1 0 241.375 2.469 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C#N)c1 ZINC000315775173 388710043 /nfs/dbraw/zinc/71/00/43/388710043.db2.gz QNZCLAILEVUTMF-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNCc1ccc(C#N)cc1 ZINC000069675301 388724313 /nfs/dbraw/zinc/72/43/13/388724313.db2.gz JAFPJDHTAGZKDO-ZDUSSCGKSA-N 1 0 245.370 2.378 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000377240377 388724344 /nfs/dbraw/zinc/72/43/44/388724344.db2.gz CURVMFNMRZSMCA-LLVKDONJSA-N 1 0 234.299 2.152 20 30 BEEDRO C[C@@H](CC[NH+](C)C)Nc1ccc(F)cc1C#N ZINC000070073271 388727950 /nfs/dbraw/zinc/72/79/50/388727950.db2.gz QENUZAAIAWYYLR-JTQLQIEISA-N 1 0 235.306 2.449 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000070357226 388729836 /nfs/dbraw/zinc/72/98/36/388729836.db2.gz ACUIPBIIAOUDIU-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)CCCC(C)(C)C#N ZINC000128809757 388796789 /nfs/dbraw/zinc/79/67/89/388796789.db2.gz IYOXTXNRFAXREY-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000229883246 388803262 /nfs/dbraw/zinc/80/32/62/388803262.db2.gz SXRDIFKWDFMOEB-WCQYABFASA-N 1 0 217.312 2.325 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000229320974 388786306 /nfs/dbraw/zinc/78/63/06/388786306.db2.gz CPHSNOXYAQIFSL-QWRGUYRKSA-N 1 0 205.301 2.487 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000335475732 388829957 /nfs/dbraw/zinc/82/99/57/388829957.db2.gz ATCMEGSRFLVALW-ZDUSSCGKSA-N 1 0 230.311 2.073 20 30 BEEDRO C[NH+](C)CCC[N@H+](C)CC(C)(C)CCC#N ZINC000554877889 388834790 /nfs/dbraw/zinc/83/47/90/388834790.db2.gz WFKCZZXPOULHKC-UHFFFAOYSA-N 1 0 225.380 2.200 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000541719497 388864189 /nfs/dbraw/zinc/86/41/89/388864189.db2.gz AUJAFONJFMUEDR-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000564463897 388875794 /nfs/dbraw/zinc/87/57/94/388875794.db2.gz ZIEMAAPGJMHCEG-YNEHKIRRSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000564463892 388876609 /nfs/dbraw/zinc/87/66/09/388876609.db2.gz ZIEMAAPGJMHCEG-RWMBFGLXSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCCCCC[NH2+]C1(CC(=O)OC)CC1 ZINC000565051686 388910739 /nfs/dbraw/zinc/91/07/39/388910739.db2.gz PWDGEVUIJFGOCW-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=CCCCCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000565212957 388927194 /nfs/dbraw/zinc/92/71/94/388927194.db2.gz JYLDNPWLKCXWDZ-ZDUSSCGKSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000565344873 388938547 /nfs/dbraw/zinc/93/85/47/388938547.db2.gz DXZLBJZGNODMOP-CHWSQXEVSA-N 1 0 242.432 2.320 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000565344883 388938592 /nfs/dbraw/zinc/93/85/92/388938592.db2.gz DXZLBJZGNODMOP-OLZOCXBDSA-N 1 0 242.432 2.320 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000565344887 388939161 /nfs/dbraw/zinc/93/91/61/388939161.db2.gz DXZLBJZGNODMOP-STQMWFEESA-N 1 0 242.432 2.320 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000565840873 388972787 /nfs/dbraw/zinc/97/27/87/388972787.db2.gz RWAUXFIJOPQKLJ-NWDGAFQWSA-N 1 0 226.364 2.222 20 30 BEEDRO CC(C)n1cc([C@H](C)[NH2+]CCCC#N)cn1 ZINC000273316090 389040061 /nfs/dbraw/zinc/04/00/61/389040061.db2.gz YDVYZGYPZQBEQW-NSHDSACASA-N 1 0 220.320 2.418 20 30 BEEDRO C#CCC(C)(C)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001645633360 1172681068 /nfs/dbraw/zinc/68/10/68/1172681068.db2.gz WGEGEGGDYMWJKC-UHFFFAOYSA-N 1 0 241.294 2.322 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001172494401 974844567 /nfs/dbraw/zinc/84/45/67/974844567.db2.gz UBSPEDAQDGXOFX-OLZOCXBDSA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@](C)(O)C1 ZINC001172494704 974845621 /nfs/dbraw/zinc/84/56/21/974845621.db2.gz XKVJONZLXLFHQK-STQMWFEESA-N 1 0 224.348 2.306 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000262544066 533235660 /nfs/dbraw/zinc/23/56/60/533235660.db2.gz SCIPAPHNZOEVDL-ZDUSSCGKSA-N 1 0 241.338 2.314 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C)nn(C)c1Cl)C(C)C ZINC000289399308 533266546 /nfs/dbraw/zinc/26/65/46/533266546.db2.gz OKVCKBXAFYRWHE-LLVKDONJSA-N 1 0 239.750 2.129 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1ccccn1)C(C)C ZINC000289610188 533336521 /nfs/dbraw/zinc/33/65/21/533336521.db2.gz VTBKZOCUMIIUFD-RYUDHWBXSA-N 1 0 202.301 2.390 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](CC)OC)cc1 ZINC000290970787 533342940 /nfs/dbraw/zinc/34/29/40/533342940.db2.gz SLHRYBBLLKBITE-AWEZNQCLSA-N 1 0 217.312 2.183 20 30 BEEDRO C=C(C)CC[N@@H+](C)CC1(N(C)C)CCC1 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C[C@H]([NH3+])[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000070175037 132230383 /nfs/dbraw/zinc/23/03/83/132230383.db2.gz RMCKOVRUAZBXRG-QWRGUYRKSA-N 1 0 247.317 2.261 20 30 BEEDRO C[C@@H]([NH3+])C1CCN(c2ccc(F)cc2C#N)CC1 ZINC000111027633 132268249 /nfs/dbraw/zinc/26/82/49/132268249.db2.gz VYDZLGZPVBZIBT-SNVBAGLBSA-N 1 0 247.317 2.261 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2ncccc2F)CC1 ZINC000274871123 132305852 /nfs/dbraw/zinc/30/58/52/132305852.db2.gz XEYBCQDLWNPWBI-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=C(C)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000274741658 132306063 /nfs/dbraw/zinc/30/60/63/132306063.db2.gz FJOIELNBUGNVAN-UHFFFAOYSA-N 1 0 231.343 2.170 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000186693257 133442888 /nfs/dbraw/zinc/44/28/88/133442888.db2.gz SPMQKKRMURHZPM-GXTWGEPZSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc(C)cn1 ZINC000336653058 133533413 /nfs/dbraw/zinc/53/34/13/133533413.db2.gz XOIYGYIXGJITTR-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO 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N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)CC2CCCC2)C1 ZINC000338006078 135028516 /nfs/dbraw/zinc/02/85/16/135028516.db2.gz CPLIMGXDUJCFBS-HZSPNIEDSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)C1CCCCC1 ZINC000249077864 135032526 /nfs/dbraw/zinc/03/25/26/135032526.db2.gz MBNHIUWCANJRTE-TZMCWYRMSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000249268169 135036825 /nfs/dbraw/zinc/03/68/25/135036825.db2.gz JPVZSOXJFWYHOP-DOMZBBRYSA-N 1 0 244.338 2.466 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000338549566 135039537 /nfs/dbraw/zinc/03/95/37/135039537.db2.gz UEOATAZFKOAAJY-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000338566706 135040478 /nfs/dbraw/zinc/04/04/78/135040478.db2.gz GMWYMWKAVWLYKA-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000338570932 135040495 /nfs/dbraw/zinc/04/04/95/135040495.db2.gz JYXLAURKHINFEE-OAHLLOKOSA-N 1 0 229.389 2.186 20 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BEEDRO C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@@H](C#N)C3)CC[C@@H]21 ZINC000339020832 135053117 /nfs/dbraw/zinc/05/31/17/135053117.db2.gz IWNIZYDMVDJESE-TUVASFSCSA-N 1 0 247.386 2.095 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H]1CSC ZINC000339022445 135053182 /nfs/dbraw/zinc/05/31/82/135053182.db2.gz GPYRTYDGHPUHDY-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000339050453 135054381 /nfs/dbraw/zinc/05/43/81/135054381.db2.gz OLGGWHIIHOHNDI-SYQHCUMBSA-N 1 0 234.343 2.037 20 30 BEEDRO CCC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339059141 135055854 /nfs/dbraw/zinc/05/58/54/135055854.db2.gz NSRPDZCXEVYTFC-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[N@@H+](C)CCc1ccccc1O ZINC000339082932 135056796 /nfs/dbraw/zinc/05/67/96/135056796.db2.gz GPMPMOKEBDROIQ-UHFFFAOYSA-N 1 0 235.327 2.069 20 30 BEEDRO C[N@H+](CCOCCC#N)C[C@H]1CC=CCC1 ZINC000339083402 135056816 /nfs/dbraw/zinc/05/68/16/135056816.db2.gz IOENLPVDDMOLPD-ZDUSSCGKSA-N 1 0 222.332 2.205 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)C[C@H]1CCCO1 ZINC000339079025 135056994 /nfs/dbraw/zinc/05/69/94/135056994.db2.gz RKNPAZHDWOXSIR-CQSZACIVSA-N 1 0 235.327 2.489 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000339089830 135057875 /nfs/dbraw/zinc/05/78/75/135057875.db2.gz CHANGVBIGGEGSL-KGLIPLIRSA-N 1 0 241.375 2.372 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000339123992 135059448 /nfs/dbraw/zinc/05/94/48/135059448.db2.gz JJMDPNHFKWTGDY-BFHYXJOUSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC[N@H+](CCOC)CCC1(OC)CCC1 ZINC000339134050 135061057 /nfs/dbraw/zinc/06/10/57/135061057.db2.gz OCNJGHDGXJNAAW-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO CSCCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000339155965 135062204 /nfs/dbraw/zinc/06/22/04/135062204.db2.gz DVDDRKBPZCYQJJ-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(F)(C#N)CC2)C1 ZINC000339184308 135064524 /nfs/dbraw/zinc/06/45/24/135064524.db2.gz FUXJKQZOIUHDCH-GHMZBOCLSA-N 1 0 221.279 2.006 20 30 BEEDRO N#CCCOCC[NH+](C1CCC1)C1CCC1 ZINC000339211768 135067217 /nfs/dbraw/zinc/06/72/17/135067217.db2.gz IGOYWOLKDRDEAS-UHFFFAOYSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCNC(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000339231980 135067605 /nfs/dbraw/zinc/06/76/05/135067605.db2.gz PFJSYQQVRXDJMQ-CQSZACIVSA-N 1 0 246.354 2.199 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCC(F)(F)F)C1 ZINC000308534621 135079461 /nfs/dbraw/zinc/07/94/61/135079461.db2.gz CZUXPQICGYYZJI-JGVFFNPUSA-N 1 0 206.211 2.221 20 30 BEEDRO C=CCCCN(CC[NH3+])CCc1ccccc1 ZINC000339899108 135088743 /nfs/dbraw/zinc/08/87/43/135088743.db2.gz JUVDQDRZVGGHKD-UHFFFAOYSA-N 1 0 232.371 2.456 20 30 BEEDRO CNC(N[C@H]1CC(C)(C)Oc2ccccc21)=[NH+]C ZINC000261664509 135110746 /nfs/dbraw/zinc/11/07/46/135110746.db2.gz BEFJOTRPZQFBQY-NSHDSACASA-N 1 0 247.342 2.084 20 30 BEEDRO CNC(N[C@@H]1CC(C)(C)Oc2ccccc21)=[NH+]C ZINC000261664506 135111576 /nfs/dbraw/zinc/11/15/76/135111576.db2.gz BEFJOTRPZQFBQY-LLVKDONJSA-N 1 0 247.342 2.084 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O ZINC000252813452 135111956 /nfs/dbraw/zinc/11/19/56/135111956.db2.gz RMXWXFUYJAHDQA-WDMOLILDSA-N 1 0 217.378 2.088 20 30 BEEDRO Cn1cccc1CNC(=[NH2+])NC1CCCCCC1 ZINC000262018531 135114057 /nfs/dbraw/zinc/11/40/57/135114057.db2.gz WXFIUAYLJAUNRA-UHFFFAOYSA-N 1 0 248.374 2.152 20 30 BEEDRO C[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000261999223 135114089 /nfs/dbraw/zinc/11/40/89/135114089.db2.gz OYLHQJGZICTFKL-NOZJJQNGSA-N 1 0 229.327 2.310 20 30 BEEDRO [NH2+]=C(NCc1ccco1)NC1CCCCCC1 ZINC000262009673 135114291 /nfs/dbraw/zinc/11/42/91/135114291.db2.gz SYKJRXSFFKJZES-UHFFFAOYSA-N 1 0 235.331 2.407 20 30 BEEDRO CC1(c2ccccc2)CC(NC(=[NH2+])NC2CC2)C1 ZINC000262207838 135117004 /nfs/dbraw/zinc/11/70/04/135117004.db2.gz SYQMAGNLDDALKN-UHFFFAOYSA-N 1 0 243.354 2.173 20 30 BEEDRO C[C@H](C[NH+]=C(N(C)C)N(C)C)c1ccccc1 ZINC000262375683 135118017 /nfs/dbraw/zinc/11/80/17/135118017.db2.gz XEWZZVMKHRYYGC-GFCCVEGCSA-N 1 0 233.359 2.269 20 30 BEEDRO C[C@H]1C[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262281887 135118242 /nfs/dbraw/zinc/11/82/42/135118242.db2.gz LDEIXTWGAWZYDX-IMTBSYHQSA-N 1 0 225.242 2.100 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1Cc1ccccc1)N(C)C ZINC000262503867 135118991 /nfs/dbraw/zinc/11/89/91/135118991.db2.gz ATIJYWDSXWWHFH-ZIAGYGMSSA-N 1 0 245.370 2.097 20 30 BEEDRO C=C(Cl)CNC(NCc1ccsc1)=[NH+]C ZINC000262448586 135119054 /nfs/dbraw/zinc/11/90/54/135119054.db2.gz DOVWJNMROXQPEP-UHFFFAOYSA-N 1 0 243.763 2.166 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@H]1Cc1ccccc1)N(C)C ZINC000262503271 135119065 /nfs/dbraw/zinc/11/90/65/135119065.db2.gz ATIJYWDSXWWHFH-KGLIPLIRSA-N 1 0 245.370 2.097 20 30 BEEDRO N#CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253088921 135119938 /nfs/dbraw/zinc/11/99/38/135119938.db2.gz GBUXUQISZYDGTD-MGPQQGTHSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC2(c3ccccc3)CCC2)N1 ZINC000262664411 135120117 /nfs/dbraw/zinc/12/01/17/135120117.db2.gz ODOCSJMEFMCTHC-LBPRGKRZSA-N 1 0 243.354 2.046 20 30 BEEDRO Cc1cc(C)c(CCNC2=[NH+]CCN2C)c(C)c1 ZINC000262656408 135120168 /nfs/dbraw/zinc/12/01/68/135120168.db2.gz LTGKBIBXKKUOMO-UHFFFAOYSA-N 1 0 245.370 2.045 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253085891 135120184 /nfs/dbraw/zinc/12/01/84/135120184.db2.gz AADAFCHAVBOPFL-BFHYXJOUSA-N 1 0 236.359 2.306 20 30 BEEDRO Cc1cc(C)c(CCNC2=[NH+]C[C@@H](C)N2)c(C)c1 ZINC000262666221 135120249 /nfs/dbraw/zinc/12/02/49/135120249.db2.gz OWCXZQIFRDMDSG-CYBMUJFWSA-N 1 0 245.370 2.092 20 30 BEEDRO Cc1ccc(C(C)(C)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262664327 135120693 /nfs/dbraw/zinc/12/06/93/135120693.db2.gz NYEWVDDMRDPGAB-GFCCVEGCSA-N 1 0 245.370 2.210 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC2CC(c3ccccc3)C2)N1 ZINC000262669234 135120734 /nfs/dbraw/zinc/12/07/34/135120734.db2.gz QHYUBYQMKHCGLP-DCBWTQNWSA-N 1 0 243.354 2.118 20 30 BEEDRO Cc1ccc(C(C)(C)CNC2=[NH+]CCN2C)cc1 ZINC000262674133 135121056 /nfs/dbraw/zinc/12/10/56/135121056.db2.gz SKAFISOIHWYHNM-UHFFFAOYSA-N 1 0 245.370 2.164 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000253091924 135121524 /nfs/dbraw/zinc/12/15/24/135121524.db2.gz KDUVFHYQTGKCRI-STQMWFEESA-N 1 0 209.333 2.025 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCC1=CCCCC1 ZINC000263246168 135125831 /nfs/dbraw/zinc/12/58/31/135125831.db2.gz MZILEKXAMJPBKC-UHFFFAOYSA-N 1 0 221.348 2.357 20 30 BEEDRO C[NH+]=C(N[C@H]1C[C@H]1C)N1CCc2ccccc21 ZINC000263231747 135125909 /nfs/dbraw/zinc/12/59/09/135125909.db2.gz IHTXZDRSNLKPSX-PWSUYJOCSA-N 1 0 229.327 2.033 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCOc1ccc(C)cc1 ZINC000264060806 135131073 /nfs/dbraw/zinc/13/10/73/135131073.db2.gz CTDLBDOAABHNBN-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])NCC(C)C)c(C)c1 ZINC000264068757 135131246 /nfs/dbraw/zinc/13/12/46/135131246.db2.gz CMGGMUWLQIHLMN-UHFFFAOYSA-N 1 0 233.359 2.364 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1cccc(C)c1 ZINC000264081464 135131656 /nfs/dbraw/zinc/13/16/56/135131656.db2.gz HMCNUDUAOCRFFQ-UHFFFAOYSA-N 1 0 231.343 2.018 20 30 BEEDRO CCCCNC(=[NH2+])NCCc1cccc(C)c1 ZINC000264101794 135133133 /nfs/dbraw/zinc/13/31/33/135133133.db2.gz OHFNBCQAISLFFK-UHFFFAOYSA-N 1 0 233.359 2.242 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)c1ccc(F)cc1 ZINC000264099889 135133150 /nfs/dbraw/zinc/13/31/50/135133150.db2.gz NTGCYCOZLIOBHP-JTQLQIEISA-N 1 0 237.322 2.244 20 30 BEEDRO CNC(NCc1cccc(OCC(C)C)c1)=[NH+]C ZINC000264115563 135133742 /nfs/dbraw/zinc/13/37/42/135133742.db2.gz SMRSOKQTFGIYIC-UHFFFAOYSA-N 1 0 249.358 2.016 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCCNc1ccccc1 ZINC000264125916 135134430 /nfs/dbraw/zinc/13/44/30/135134430.db2.gz WHKQTBMGFYULNQ-LBPRGKRZSA-N 1 0 248.374 2.191 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCOC2)c1 ZINC000264127187 135134562 /nfs/dbraw/zinc/13/45/62/135134562.db2.gz WUWNMKGJWWJXDG-LBPRGKRZSA-N 1 0 247.342 2.067 20 30 BEEDRO CNC(=[NH2+])NCCc1cc(Cl)cc(Cl)c1 ZINC000264136500 135134847 /nfs/dbraw/zinc/13/48/47/135134847.db2.gz ZVNYKQWODHGEIH-UHFFFAOYSA-N 1 0 246.141 2.070 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(COC)cc1 ZINC000264128306 135134878 /nfs/dbraw/zinc/13/48/78/135134878.db2.gz WZWPTLKSPYDYFJ-NSHDSACASA-N 1 0 249.358 2.036 20 30 BEEDRO Cc1ccccc1OCCNC(=[NH2+])NC(C)(C)C ZINC000264131827 135134923 /nfs/dbraw/zinc/13/49/23/135134923.db2.gz YCXLGDUHZIDHGT-UHFFFAOYSA-N 1 0 249.358 2.077 20 30 BEEDRO Cc1cnn(CCCCCN(CC#N)C2CC2)c1 ZINC000264140308 135134929 /nfs/dbraw/zinc/13/49/29/135134929.db2.gz OGXNMHQWOKSBEP-UHFFFAOYSA-N 1 0 246.358 2.350 20 30 BEEDRO CC(C)CNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000264265520 135137276 /nfs/dbraw/zinc/13/72/76/135137276.db2.gz KFZXRQQHKZJIGZ-UHFFFAOYSA-N 1 0 245.370 2.493 20 30 BEEDRO CCNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000264249753 135137410 /nfs/dbraw/zinc/13/74/10/135137410.db2.gz GSGZWYWBHAOUNR-UHFFFAOYSA-N 1 0 237.322 2.028 20 30 BEEDRO C[N@@H+](Cc1ccc(OCC#N)cc1)CC1CC1 ZINC000264539018 135138595 /nfs/dbraw/zinc/13/85/95/135138595.db2.gz HASHNBNVMPQSHL-UHFFFAOYSA-N 1 0 230.311 2.431 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(CC#N)CC2)CCO1 ZINC000260172202 135147410 /nfs/dbraw/zinc/14/74/10/135147410.db2.gz TYZPTGXMEHJCQA-OCCSQVGLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H]1[C@@H](Cc2ccccc2)CCN1CC#N ZINC000266906175 135150625 /nfs/dbraw/zinc/15/06/25/135150625.db2.gz BKDGTXDKQGBHDT-GXTWGEPZSA-N 1 0 214.312 2.463 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@H](c2ccccc2C)C1 ZINC000267161955 135152037 /nfs/dbraw/zinc/15/20/37/135152037.db2.gz RGWKSWCMSUJGME-ZGTROFRASA-N 1 0 245.370 2.332 20 30 BEEDRO CNC(NCC(C)(C)Cc1ccccc1)=[NH+]C ZINC000267388789 135153926 /nfs/dbraw/zinc/15/39/26/135153926.db2.gz CLLKJMSOYYHAIQ-UHFFFAOYSA-N 1 0 233.359 2.050 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)Cc1ccccc1 ZINC000267415584 135153976 /nfs/dbraw/zinc/15/39/76/135153976.db2.gz JBCDMWNUXUGMAP-UHFFFAOYSA-N 1 0 245.370 2.346 20 30 BEEDRO C[N@H+](CCCC#N)CCOCc1ccccc1 ZINC000268314554 135158626 /nfs/dbraw/zinc/15/86/26/135158626.db2.gz IWAHRRPKBMSNQT-UHFFFAOYSA-N 1 0 232.327 2.439 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000269428664 135165797 /nfs/dbraw/zinc/16/57/97/135165797.db2.gz OPDUUCHOQLAARB-UHFFFAOYSA-N 1 0 231.274 2.481 20 30 BEEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCOCCC#N ZINC000293738004 135183869 /nfs/dbraw/zinc/18/38/69/135183869.db2.gz HHVPDNBJTHRFDK-AWEZNQCLSA-N 1 0 247.342 2.395 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1 ZINC000293940691 135184404 /nfs/dbraw/zinc/18/44/04/135184404.db2.gz IALXZVDBDBMFRC-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](c2ccccc2)[C@@H]1C ZINC000353576798 135190742 /nfs/dbraw/zinc/19/07/42/135190742.db2.gz ADJBFWLQIWQYTC-ZGKBOVNRSA-N 1 0 231.339 2.315 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000084212689 135192229 /nfs/dbraw/zinc/19/22/29/135192229.db2.gz WKXBACSTEBKFFL-DGCLKSJQSA-N 1 0 215.300 2.098 20 30 BEEDRO C[N@H+](CCN(CC#N)C1CC1)Cc1ccccc1 ZINC000297276678 135194912 /nfs/dbraw/zinc/19/49/12/135194912.db2.gz XDVVOEUZEZSSPS-UHFFFAOYSA-N 1 0 243.354 2.106 20 30 BEEDRO CC(C)(C)C[N@H+](CCC#N)CCc1cn[nH]c1 ZINC000297280213 135195025 /nfs/dbraw/zinc/19/50/25/135195025.db2.gz ADRHCSNSUKUTPD-UHFFFAOYSA-N 1 0 234.347 2.214 20 30 BEEDRO C#CCCC[NH+]1CCC(c2ccncn2)CC1 ZINC000298049372 135197642 /nfs/dbraw/zinc/19/76/42/135197642.db2.gz DYOATLSOIHTEPH-UHFFFAOYSA-N 1 0 229.327 2.069 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](C)c1ccccn1 ZINC000298893818 135201189 /nfs/dbraw/zinc/20/11/89/135201189.db2.gz LOCBXVKFJSXEEN-GHMZBOCLSA-N 1 0 203.289 2.424 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](C)c1ccccn1 ZINC000298893819 135201543 /nfs/dbraw/zinc/20/15/43/135201543.db2.gz LOCBXVKFJSXEEN-MNOVXSKESA-N 1 0 203.289 2.424 20 30 BEEDRO Cc1ccnc(NCC2([NH3+])CCCCC2)c1C#N ZINC000261560670 135201667 /nfs/dbraw/zinc/20/16/67/135201667.db2.gz FJGFBFAHIWAGQU-UHFFFAOYSA-N 1 0 244.342 2.335 20 30 BEEDRO C[C@@H]1[C@H]([NH3+])CCN1c1cc(Cl)ccc1C#N ZINC000261563415 135205572 /nfs/dbraw/zinc/20/55/72/135205572.db2.gz BVAKYKWIOZWPCB-LDYMZIIASA-N 1 0 235.718 2.138 20 30 BEEDRO C[C@H]1[C@H]([NH3+])CCN1c1ccc(Cl)cc1C#N ZINC000261564184 135206319 /nfs/dbraw/zinc/20/63/19/135206319.db2.gz CJFGPATYLGOAFQ-GZMMTYOYSA-N 1 0 235.718 2.138 20 30 BEEDRO N#CCCN(Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000299712724 135206373 /nfs/dbraw/zinc/20/63/73/135206373.db2.gz QSOXCBUTXMJIOR-HNNXBMFYSA-N 1 0 244.338 2.173 20 30 BEEDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000163952050 135211779 /nfs/dbraw/zinc/21/17/79/135211779.db2.gz QISBGZHXDXOGKS-AAEUAGOBSA-N 1 0 248.326 2.010 20 30 BEEDRO C[C@H]1CCN(c2ccc(F)cc2C#N)C[C@@H]1C[NH3+] ZINC000164020831 135213179 /nfs/dbraw/zinc/21/31/79/135213179.db2.gz ZGUJJAJYOOUDDZ-JQWIXIFHSA-N 1 0 247.317 2.118 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000122011969 135226429 /nfs/dbraw/zinc/22/64/29/135226429.db2.gz NZGLBSMFAOUHLD-LLVKDONJSA-N 1 0 215.300 2.389 20 30 BEEDRO Cc1nc(N[C@@H](C[NH3+])C2CCCC2)ccc1C#N ZINC000261586527 135227581 /nfs/dbraw/zinc/22/75/81/135227581.db2.gz UKOSVRGMEXTQAB-ZDUSSCGKSA-N 1 0 244.342 2.191 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C)(C)CC1 ZINC000341183345 135234777 /nfs/dbraw/zinc/23/47/77/135234777.db2.gz JPTGBEFKVMDZBX-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261601333 135237954 /nfs/dbraw/zinc/23/79/54/135237954.db2.gz AIFXJOWXMSXSJG-AWEZNQCLSA-N 1 0 246.354 2.218 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000341874504 135243695 /nfs/dbraw/zinc/24/36/95/135243695.db2.gz GTYOEXOFXNXDFC-VXGBXAGGSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341999854 135245249 /nfs/dbraw/zinc/24/52/49/135245249.db2.gz YNPHPDSXIMWHDH-CYBMUJFWSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCO[C@@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000261671091 135245251 /nfs/dbraw/zinc/24/52/51/135245251.db2.gz GFSFLLKWSYWLRZ-VIFPVBQESA-N 1 0 237.303 2.061 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000342024685 135246402 /nfs/dbraw/zinc/24/64/02/135246402.db2.gz UFRLUFZKGAAOAJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCCCC[N@H+]1CCCCC[C@@H]1CCO ZINC000342058664 135247124 /nfs/dbraw/zinc/24/71/24/135247124.db2.gz FKHJOTCZULUAMM-CYBMUJFWSA-N 1 0 224.348 2.307 20 30 BEEDRO CC[C@H]1CO[C@@H](C)C[N@@H+]1CCCSCC#N ZINC000342086549 135249182 /nfs/dbraw/zinc/24/91/82/135249182.db2.gz CVYUCBDGKCVTTJ-RYUDHWBXSA-N 1 0 242.388 2.133 20 30 BEEDRO [NH2+]=C(NCc1cc2ccccc2s1)NC1CC1 ZINC000261744264 135249399 /nfs/dbraw/zinc/24/93/99/135249399.db2.gz IZGOJYLCSVRMHU-UHFFFAOYSA-N 1 0 245.351 2.468 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)C[C@H](C)[NH3+] ZINC000261784171 135252637 /nfs/dbraw/zinc/25/26/37/135252637.db2.gz JTJWUFCVAMDNSE-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H](C)CN(C)C)c1 ZINC000342219925 135253117 /nfs/dbraw/zinc/25/31/17/135253117.db2.gz SEMKQNSXOQOROE-CYBMUJFWSA-N 1 0 248.370 2.291 20 30 BEEDRO C[NH+]=C(NCC(C)(C)SC)NCC1(C)CC1 ZINC000261845694 135256912 /nfs/dbraw/zinc/25/69/12/135256912.db2.gz XEXYAEAMCRQSGG-UHFFFAOYSA-N 1 0 243.420 2.093 20 30 BEEDRO C[C@H]1CCCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000261979805 135268729 /nfs/dbraw/zinc/26/87/29/135268729.db2.gz HLOZCAWZEBOJEB-RYUDHWBXSA-N 1 0 225.380 2.292 20 30 BEEDRO C[C@H]1CCCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000261979804 135269055 /nfs/dbraw/zinc/26/90/55/135269055.db2.gz HLOZCAWZEBOJEB-NWDGAFQWSA-N 1 0 225.380 2.292 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])Nc1cccc(OC)c1)C(C)C ZINC000262234695 135286679 /nfs/dbraw/zinc/28/66/79/135286679.db2.gz XFLPYWGVZUSZJR-CYBMUJFWSA-N 1 0 245.326 2.080 20 30 BEEDRO C=CCNC(N[C@@H]1C[C@H]1C1CCCCC1)=[NH+]C ZINC000262330491 135292731 /nfs/dbraw/zinc/29/27/31/135292731.db2.gz AUGRUMSPJULSPB-QWHCGFSZSA-N 1 0 235.375 2.306 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NC1CCCCC1)C(C)(C)C ZINC000262325106 135293159 /nfs/dbraw/zinc/29/31/59/135293159.db2.gz STPDNKPWNPHDIU-GFCCVEGCSA-N 1 0 235.375 2.271 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000262454578 135300315 /nfs/dbraw/zinc/30/03/15/135300315.db2.gz KRDZVBQXDXDJMG-FARYLTDUSA-N 1 0 231.343 2.023 20 30 BEEDRO CC[NH+]=C(NC1CC1)N1CC[C@H](CC(C)C)C1 ZINC000262485710 135301526 /nfs/dbraw/zinc/30/15/26/135301526.db2.gz SMIAGQQOVBGIQY-GFCCVEGCSA-N 1 0 237.391 2.482 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC(C)(C)C2CCCC2)N1 ZINC000262479599 135301615 /nfs/dbraw/zinc/30/16/15/135301615.db2.gz CTBOOQGVJKRQFB-JTQLQIEISA-N 1 0 223.364 2.140 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC1C(C)(C)C1(C)C ZINC000262495685 135302752 /nfs/dbraw/zinc/30/27/52/135302752.db2.gz WIGKKXPLXIDABO-UHFFFAOYSA-N 1 0 249.358 2.379 20 30 BEEDRO C=CCCCCCN(C)C(=O)CCC[NH2+]C ZINC000262637014 135308092 /nfs/dbraw/zinc/30/80/92/135308092.db2.gz NHKHAWSHBPIEER-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO Cc1cccc([C@H](C)CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262634713 135310189 /nfs/dbraw/zinc/31/01/89/135310189.db2.gz GNPXWJZZLLLWHJ-VXGBXAGGSA-N 1 0 231.343 2.036 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000262652802 135310775 /nfs/dbraw/zinc/31/07/75/135310775.db2.gz JUAZMSDAQREKKP-VXGBXAGGSA-N 1 0 221.348 2.022 20 30 BEEDRO CN1CC[NH+]=C1NCC1CCCCCCC1 ZINC000262654889 135311853 /nfs/dbraw/zinc/31/18/53/135311853.db2.gz LHJFDLXOKCNPQQ-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO CN1CC[NH+]=C1NCC(C)(C)C1=CCCCC1 ZINC000262667136 135312550 /nfs/dbraw/zinc/31/25/50/135312550.db2.gz PFRODKWTGMLPRQ-UHFFFAOYSA-N 1 0 235.375 2.404 20 30 BEEDRO Cc1ccoc1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000262710654 135314436 /nfs/dbraw/zinc/31/44/36/135314436.db2.gz PGVJNLFIWPRQDS-JTQLQIEISA-N 1 0 235.331 2.135 20 30 BEEDRO [NH2+]=C(NCc1ccc(C2CC2)cc1F)NC1CC1 ZINC000262711448 135314755 /nfs/dbraw/zinc/31/47/55/135314755.db2.gz PODRBFLNJCEKBE-UHFFFAOYSA-N 1 0 247.317 2.270 20 30 BEEDRO [NH2+]=C(Nc1ccccc1)N[C@@H]1C[C@H]1C1CC1 ZINC000262698100 135314765 /nfs/dbraw/zinc/31/47/65/135314765.db2.gz FKEMYEXODCZONP-NWDGAFQWSA-N 1 0 215.300 2.212 20 30 BEEDRO Cc1ccoc1CNC(=[NH2+])N1CCC(C)CC1 ZINC000262727124 135315552 /nfs/dbraw/zinc/31/55/52/135315552.db2.gz ZYDIZRMGLJKFAB-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000342733668 135316858 /nfs/dbraw/zinc/31/68/58/135316858.db2.gz NLQQKYQJSCSZQK-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCC=CO1)Nc1ccccc1 ZINC000262837726 135320856 /nfs/dbraw/zinc/32/08/56/135320856.db2.gz SUZXUYUFQMSCJC-GFCCVEGCSA-N 1 0 231.299 2.106 20 30 BEEDRO CN1CC[NH+]=C1NC[C@H]1CCCC(C)(C)C1 ZINC000263048342 135328828 /nfs/dbraw/zinc/32/88/28/135328828.db2.gz DFYVVBMHSHWRIS-NSHDSACASA-N 1 0 223.364 2.094 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@]1(F)c1ccccc1)N(C)C ZINC000263054531 135329531 /nfs/dbraw/zinc/32/95/31/135329531.db2.gz LNYPEKNPDTUIGW-OCCSQVGLSA-N 1 0 249.333 2.103 20 30 BEEDRO [NH2+]=C(NCc1cccc2cc[nH]c21)NC1CCC1 ZINC000263052948 135329985 /nfs/dbraw/zinc/32/99/85/135329985.db2.gz DQWMNXXVXZKHKU-UHFFFAOYSA-N 1 0 242.326 2.125 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1CCC[C@@H]1C1CC1)N(C)C ZINC000263065548 135330921 /nfs/dbraw/zinc/33/09/21/135330921.db2.gz GEALWOILBAQGJG-CHWSQXEVSA-N 1 0 237.391 2.292 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@@]1(F)c1ccccc1)NC1CCC1 ZINC000263071783 135331080 /nfs/dbraw/zinc/33/10/80/135331080.db2.gz PQMCBHJRWNNPTP-TZMCWYRMSA-N 1 0 247.317 2.081 20 30 BEEDRO Cc1cccc(NC(=[NH2+])N[C@@H]2CC23CC3)c1 ZINC000263088293 135331663 /nfs/dbraw/zinc/33/16/63/135331663.db2.gz SYWLXDONOMWAOF-LLVKDONJSA-N 1 0 215.300 2.274 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(C)(C#N)CC2)CCO1 ZINC000334297692 135335218 /nfs/dbraw/zinc/33/52/18/135335218.db2.gz AZDUSUFUTBDRFL-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)[C@@]1(C)C[C@H]1NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263172636 135337384 /nfs/dbraw/zinc/33/73/84/135337384.db2.gz SGRLPQLZUYPFLH-YRGRVCCFSA-N 1 0 237.391 2.468 20 30 BEEDRO CC[C@@H]1CCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263185836 135337670 /nfs/dbraw/zinc/33/76/70/135337670.db2.gz UWBXASFXAOEXGH-NEPJUHHUSA-N 1 0 223.364 2.094 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCC[C@H]1C1CC1)NC1CCC1 ZINC000263207838 135339376 /nfs/dbraw/zinc/33/93/76/135339376.db2.gz YOJYEULTJPBKMV-AAEUAGOBSA-N 1 0 235.375 2.270 20 30 BEEDRO [NH2+]=C(NCCC1CC(F)(F)C1)NCC1CCC1 ZINC000263204394 135339612 /nfs/dbraw/zinc/33/96/12/135339612.db2.gz XYDPJEBCLVAQFL-UHFFFAOYSA-N 1 0 245.317 2.126 20 30 BEEDRO C=CC[NH+]=C(NCCc1ccco1)N1CCCC1 ZINC000263270920 135343636 /nfs/dbraw/zinc/34/36/36/135343636.db2.gz WYAHQNNRFVCVSN-UHFFFAOYSA-N 1 0 247.342 2.050 20 30 BEEDRO [NH2+]=C(Nc1ccccn1)N[C@@H]1CC12CCCC2 ZINC000263280164 135344294 /nfs/dbraw/zinc/34/42/94/135344294.db2.gz RTJPDWDLYYAGRM-SNVBAGLBSA-N 1 0 230.315 2.141 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1Cc1cccc(C#N)c1 ZINC000334307001 135349039 /nfs/dbraw/zinc/34/90/39/135349039.db2.gz DQMYGZVTLLOPPP-STQMWFEESA-N 1 0 243.354 2.083 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccccc1)[C@H](C)C(=O)OC ZINC000079937557 135364861 /nfs/dbraw/zinc/36/48/61/135364861.db2.gz MTFZNPMVOSZKPT-GXTWGEPZSA-N 1 0 245.322 2.150 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000274608061 135366832 /nfs/dbraw/zinc/36/68/32/135366832.db2.gz JNKXYDACPDYGBR-TUAOUCFPSA-N 1 0 215.300 2.424 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccco1 ZINC000280615438 135368923 /nfs/dbraw/zinc/36/89/23/135368923.db2.gz KNJRZWSALFHQNW-YPMHNXCESA-N 1 0 221.300 2.350 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)nn1C ZINC000282269565 135371063 /nfs/dbraw/zinc/37/10/63/135371063.db2.gz RGHNPRJXWUGSHU-NSHDSACASA-N 1 0 220.320 2.073 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CCCCC#N)no1 ZINC000282902627 135372017 /nfs/dbraw/zinc/37/20/17/135372017.db2.gz WUTGNERVSICNTM-JTQLQIEISA-N 1 0 207.277 2.328 20 30 BEEDRO CC#CC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000287114673 135372908 /nfs/dbraw/zinc/37/29/08/135372908.db2.gz YSLQXIKXVISRIL-CYBMUJFWSA-N 1 0 237.730 2.376 20 30 BEEDRO C=CCCCCCCNC(=[NH2+])NC1CC1 ZINC000287072826 135372934 /nfs/dbraw/zinc/37/29/34/135372934.db2.gz XXFBBEVZBYHTQZ-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO Cc1nnsc1C[NH2+]CC(C)(C)CCC#N ZINC000291664874 135375723 /nfs/dbraw/zinc/37/57/23/135375723.db2.gz FPTZPZBBZMEPQY-UHFFFAOYSA-N 1 0 238.360 2.266 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@H]1C ZINC000334376263 135376170 /nfs/dbraw/zinc/37/61/70/135376170.db2.gz VOLUJZGKNUWIGW-MNOVXSKESA-N 1 0 200.285 2.398 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccccc1C#N ZINC000334376268 135376399 /nfs/dbraw/zinc/37/63/99/135376399.db2.gz VOLUJZGKNUWIGW-WDEREUQCSA-N 1 0 200.285 2.398 20 30 BEEDRO C=CCOCC[NH+]1CCN(c2ccccc2)CC1 ZINC000293661681 135376435 /nfs/dbraw/zinc/37/64/35/135376435.db2.gz YRYCKYFRTRAYBL-UHFFFAOYSA-N 1 0 246.354 2.011 20 30 BEEDRO C[C@H](c1ccncc1)[N@H+](C)CCOCCC#N ZINC000293715965 135376620 /nfs/dbraw/zinc/37/66/20/135376620.db2.gz FFFOCLNJCWEDMV-GFCCVEGCSA-N 1 0 233.315 2.005 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC000293485635 135376710 /nfs/dbraw/zinc/37/67/10/135376710.db2.gz MQTCJJNSTVFOLV-UHFFFAOYSA-N 1 0 230.311 2.193 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1cccs1 ZINC000295001210 135379226 /nfs/dbraw/zinc/37/92/26/135379226.db2.gz LZNKOKODWAUNGV-GFCCVEGCSA-N 1 0 236.384 2.354 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(C#N)n1 ZINC000081595979 135387706 /nfs/dbraw/zinc/38/77/06/135387706.db2.gz YIDDLAXDJLTRRO-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(OCC#N)cc1 ZINC000078515737 135393711 /nfs/dbraw/zinc/39/37/11/135393711.db2.gz AGQIXJHPOOHSQP-NSHDSACASA-N 1 0 248.326 2.010 20 30 BEEDRO N#CCc1ccc(C[N@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000330851936 135393781 /nfs/dbraw/zinc/39/37/81/135393781.db2.gz QJVINANPLVEZII-CYBMUJFWSA-N 1 0 243.310 2.252 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(OCC#N)cc1 ZINC000078515740 135393791 /nfs/dbraw/zinc/39/37/91/135393791.db2.gz AGQIXJHPOOHSQP-LLVKDONJSA-N 1 0 248.326 2.010 20 30 BEEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000334436178 135407827 /nfs/dbraw/zinc/40/78/27/135407827.db2.gz ZVXQLCQEJCQZBG-UKRRQHHQSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH+]2CCC(CC#N)CC2)O1 ZINC000335697770 135422579 /nfs/dbraw/zinc/42/25/79/135422579.db2.gz NROGHZMOPTVOBU-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000164893784 135441291 /nfs/dbraw/zinc/44/12/91/135441291.db2.gz ATIMWADBGSAVNN-ZIAGYGMSSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)C1CC1 ZINC000090181407 135546467 /nfs/dbraw/zinc/54/64/67/135546467.db2.gz JTIPORRJUMRBEY-JSGCOSHPSA-N 1 0 248.370 2.084 20 30 BEEDRO C#C[C@H]([NH2+]C1Cc2ccccc2C1)C(C)C ZINC000289325508 135607723 /nfs/dbraw/zinc/60/77/23/135607723.db2.gz GEXWKDOVNSQCLI-HNNXBMFYSA-N 1 0 213.324 2.401 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCO[C@H]1c1nccn1C ZINC000344291099 135758177 /nfs/dbraw/zinc/75/81/77/135758177.db2.gz ICKIFDNVSIUQSS-RWMBFGLXSA-N 1 0 249.358 2.194 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CCCN1C ZINC000344340848 135765164 /nfs/dbraw/zinc/76/51/64/135765164.db2.gz ZTEMFQUOFNMVOM-DOMZBBRYSA-N 1 0 243.354 2.131 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cnn3ccccc23)C1 ZINC000335286039 136002556 /nfs/dbraw/zinc/00/25/56/136002556.db2.gz MREKXTRZBPGIOR-YPMHNXCESA-N 1 0 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224.348 2.162 20 30 BEEDRO Cc1cnccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000335559589 136100811 /nfs/dbraw/zinc/10/08/11/136100811.db2.gz FIDLJEHZJRBDTI-WCQYABFASA-N 1 0 215.300 2.172 20 30 BEEDRO C[N@H+](CC1(C#N)CCC1)[C@H]1CCSC1 ZINC000335578853 136111674 /nfs/dbraw/zinc/11/16/74/136111674.db2.gz MPQDGTBBHLHDFS-JTQLQIEISA-N 1 0 210.346 2.118 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@H](CO)C2)C1 ZINC000348680034 136113633 /nfs/dbraw/zinc/11/36/33/136113633.db2.gz JEDVXFOYBBEWJK-RFGFWPKPSA-N 1 0 236.359 2.067 20 30 BEEDRO CN(c1ccc(C#N)cc1)c1cc(N)cc[nH+]1 ZINC000061979782 1172724695 /nfs/dbraw/zinc/72/46/95/1172724695.db2.gz GSWBLUGAYILDOR-UHFFFAOYSA-N 1 0 224.267 2.303 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[C@H]2O)C1 ZINC001646392879 1172739847 /nfs/dbraw/zinc/73/98/47/1172739847.db2.gz QWAZBXQAVJQARZ-QLFBSQMISA-N 1 0 235.371 2.273 20 30 BEEDRO Cc1ncsc1CCC[NH2+][C@@H](C)CC#N ZINC001646530868 1172744241 /nfs/dbraw/zinc/74/42/41/1172744241.db2.gz UEZRNTBJEAIKAJ-VIFPVBQESA-N 1 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CC#CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000185036593 398050215 /nfs/dbraw/zinc/05/02/15/398050215.db2.gz QOWZSFGNRTWDJJ-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]Cc1cc(C#N)cs1 ZINC000093492120 398001875 /nfs/dbraw/zinc/00/18/75/398001875.db2.gz XTVJXKQIFHMCJG-LBPRGKRZSA-N 1 0 249.383 2.194 20 30 BEEDRO C=CC[N@@H+](CCC(=O)N(C)C)Cc1ccccc1 ZINC000298301393 398016442 /nfs/dbraw/zinc/01/64/42/398016442.db2.gz WGJJJFRCZLCMED-UHFFFAOYSA-N 1 0 246.354 2.153 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000650264139 398018855 /nfs/dbraw/zinc/01/88/55/398018855.db2.gz WGNOTYCOPOIYOR-OLZOCXBDSA-N 1 0 241.400 2.143 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC12CCCC2 ZINC000649656824 398026749 /nfs/dbraw/zinc/02/67/49/398026749.db2.gz BRMQMUNGZZDNBM-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000491615788 398048346 /nfs/dbraw/zinc/04/83/46/398048346.db2.gz GSIJZLSBZMFFSX-LBPRGKRZSA-N 1 0 233.311 2.028 20 30 BEEDRO C#CC[N@H+](CCC1OCCO1)C1CCCCC1 ZINC000491013341 398031297 /nfs/dbraw/zinc/03/12/97/398031297.db2.gz JAGYSGFNMGYKLP-UHFFFAOYSA-N 1 0 237.343 2.017 20 30 BEEDRO C#CCN(Cc1ccncc1Cl)C1CC1 ZINC000491229223 398033250 /nfs/dbraw/zinc/03/32/50/398033250.db2.gz FYVFGRLSQLXGQN-UHFFFAOYSA-N 1 0 220.703 2.333 20 30 BEEDRO CCOc1cncc(CN(C)[C@@H](C)CC#N)c1 ZINC000598669823 398035490 /nfs/dbraw/zinc/03/54/90/398035490.db2.gz FPZYYNAWGAFYBN-NSHDSACASA-N 1 0 233.315 2.214 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000264841350 398038644 /nfs/dbraw/zinc/03/86/44/398038644.db2.gz ITVJBVQFAAJABE-BXUZGUMPSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451553518 397977161 /nfs/dbraw/zinc/97/71/61/397977161.db2.gz CGJQYKHFORMUEJ-CYBMUJFWSA-N 1 0 241.375 2.326 20 30 BEEDRO COC1([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)CCC1 ZINC000595046098 397979899 /nfs/dbraw/zinc/97/98/99/397979899.db2.gz XBYOJMQKQKFSRA-GRYCIOLGSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCC[N@H+]1CCN(CC)C[C@@H]1CC ZINC000451730011 397980143 /nfs/dbraw/zinc/98/01/43/397980143.db2.gz MWXZXRHWIQVVOW-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)O1 ZINC000595080266 397981038 /nfs/dbraw/zinc/98/10/38/397981038.db2.gz PRLPDZNMGVRUHD-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)O1 ZINC000595080264 397981106 /nfs/dbraw/zinc/98/11/06/397981106.db2.gz PRLPDZNMGVRUHD-FVCCEPFGSA-N 1 0 222.332 2.226 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2c(n1)CCC2 ZINC000491503149 398043694 /nfs/dbraw/zinc/04/36/94/398043694.db2.gz BEFIXKSABFUARZ-LBPRGKRZSA-N 1 0 214.312 2.072 20 30 BEEDRO CC[N@@H+]1CCCN([C@H](C#N)c2ccccc2)CC1 ZINC000595308632 397988231 /nfs/dbraw/zinc/98/82/31/397988231.db2.gz LQXXSVWWUYNAHC-OAHLLOKOSA-N 1 0 243.354 2.279 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)nc1C ZINC000491675293 398059777 /nfs/dbraw/zinc/05/97/77/398059777.db2.gz LWKLSGZKHUIWRV-LLVKDONJSA-N 1 0 202.301 2.152 20 30 BEEDRO C#CC[N@@H+](CC1(OC)CCCC1)C1CC1 ZINC000491675646 398059846 /nfs/dbraw/zinc/05/98/46/398059846.db2.gz MJPKMSYWFHMUKH-UHFFFAOYSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000186700659 398071740 /nfs/dbraw/zinc/07/17/40/398071740.db2.gz IEVKBVYCXFGRES-TZMCWYRMSA-N 1 0 248.370 2.340 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC(C)C)c1ccc(F)cc1 ZINC000491800596 398074142 /nfs/dbraw/zinc/07/41/42/398074142.db2.gz AKANVBOMHKGWPR-CYBMUJFWSA-N 1 0 247.317 2.270 20 30 BEEDRO Cc1sccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000602604551 398077263 /nfs/dbraw/zinc/07/72/63/398077263.db2.gz YUJFFLCPJAEGGU-SECBINFHSA-N 1 0 237.328 2.016 20 30 BEEDRO N#CC1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000602719114 398077635 /nfs/dbraw/zinc/07/76/35/398077635.db2.gz XHDIGTVCMODOSS-UHFFFAOYSA-N 1 0 248.370 2.209 20 30 BEEDRO CO[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)CC(C)C ZINC000602694422 398077675 /nfs/dbraw/zinc/07/76/75/398077675.db2.gz MSEYKYOHBLPRMI-YNEHKIRRSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000602883808 398081866 /nfs/dbraw/zinc/08/18/66/398081866.db2.gz MPSOMUSBCUPGNH-AVGNSLFASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602883811 398082106 /nfs/dbraw/zinc/08/21/06/398082106.db2.gz MPSOMUSBCUPGNH-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271958934 398083566 /nfs/dbraw/zinc/08/35/66/398083566.db2.gz QRTRZTJGNUIVNW-UWVGGRQHSA-N 1 0 236.290 2.119 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC2(CC2(F)F)CC1 ZINC000649775523 398095545 /nfs/dbraw/zinc/09/55/45/398095545.db2.gz KQGSNLBTDLWBDO-LLVKDONJSA-N 1 0 245.313 2.435 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185212887 398090528 /nfs/dbraw/zinc/09/05/28/398090528.db2.gz SCVJTYUSNXHSPP-LLVKDONJSA-N 1 0 240.347 2.065 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cccc(C)n1 ZINC000491640213 398052606 /nfs/dbraw/zinc/05/26/06/398052606.db2.gz ZOKYGPRBQXXXIZ-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO CS[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000294910086 398103051 /nfs/dbraw/zinc/10/30/51/398103051.db2.gz ABDVLXPSCNAZMG-LLVKDONJSA-N 1 0 222.313 2.089 20 30 BEEDRO C=C(CC)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649799047 398107913 /nfs/dbraw/zinc/10/79/13/398107913.db2.gz NMBZMEVITCCBPP-LBPRGKRZSA-N 1 0 211.349 2.293 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(C(=O)OCC)CC1 ZINC000611072315 398097695 /nfs/dbraw/zinc/09/76/95/398097695.db2.gz QIYDRTYGWPKDIN-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000643256858 398118457 /nfs/dbraw/zinc/11/84/57/398118457.db2.gz PGAKHHSVTIICTP-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(C)CC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649799353 398109281 /nfs/dbraw/zinc/10/92/81/398109281.db2.gz VLPMEBTVLOXMTE-LBPRGKRZSA-N 1 0 211.349 2.293 20 30 BEEDRO CCCCOCCC[NH2+]Cc1ccc(C#N)o1 ZINC000135122220 398109436 /nfs/dbraw/zinc/10/94/36/398109436.db2.gz HUQGSFMBKGMZDR-UHFFFAOYSA-N 1 0 236.315 2.448 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000648763417 398114106 /nfs/dbraw/zinc/11/41/06/398114106.db2.gz LZTPPUQOQDALCL-DGAVXFQQSA-N 1 0 239.359 2.267 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(O)cc1 ZINC000648763436 398114297 /nfs/dbraw/zinc/11/42/97/398114297.db2.gz PPHIEPNXZHLALX-KGLIPLIRSA-N 1 0 233.311 2.215 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(F)c1 ZINC000613661600 398121961 /nfs/dbraw/zinc/12/19/61/398121961.db2.gz YUIYNQVWTVGQAZ-ZWNOBZJWSA-N 1 0 243.285 2.479 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)C[C@H](C)CO ZINC000120724996 398132623 /nfs/dbraw/zinc/13/26/23/398132623.db2.gz BAUZLFDJSDBUPD-ZDUSSCGKSA-N 1 0 244.338 2.175 20 30 BEEDRO C=CC[NH2+]CCN1CCCc2ccccc2C1 ZINC000062945723 1172790752 /nfs/dbraw/zinc/79/07/52/1172790752.db2.gz JVBUOVMWYISMOV-UHFFFAOYSA-N 1 0 230.355 2.210 20 30 BEEDRO C=CCCCC[N@H+]1CC(=O)NC[C@H]1C(C)(C)C ZINC001648429252 1172831835 /nfs/dbraw/zinc/83/18/35/1172831835.db2.gz CMXMRDVJLLHKKU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC001648526171 1172840725 /nfs/dbraw/zinc/84/07/25/1172840725.db2.gz OHBJJOWXQSOQDA-NSHDSACASA-N 1 0 249.310 2.276 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](N(C)CC)C1 ZINC001648682941 1172863432 /nfs/dbraw/zinc/86/34/32/1172863432.db2.gz IDRLXRWYIXXDOK-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C[C@@H](CCCC#N)N1CC([NH+]2CCCCC2)C1 ZINC001172502857 974856646 /nfs/dbraw/zinc/85/66/46/974856646.db2.gz XGKJULNHDLEEIX-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO N#Cc1cnc(N2CCc3c[nH+]ccc32)c(F)c1 ZINC001650798612 1172900125 /nfs/dbraw/zinc/90/01/25/1172900125.db2.gz MLJPDUIEOCNWGA-UHFFFAOYSA-N 1 0 240.241 2.182 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C#N)cc1F ZINC000229960569 322897108 /nfs/dbraw/zinc/89/71/08/322897108.db2.gz CDIRZNNCNBYOBD-LBPRGKRZSA-N 1 0 216.259 2.199 20 30 BEEDRO C[NH+](C)C[C@H]1CCCN1c1cc(F)ccc1C#N ZINC001650861963 1172905361 /nfs/dbraw/zinc/90/53/61/1172905361.db2.gz FNHLMDAIBAVJMM-CYBMUJFWSA-N 1 0 247.317 2.228 20 30 BEEDRO C=C(C)C[NH2+]Cc1cn(CCC)nc1C ZINC001651068320 1172921708 /nfs/dbraw/zinc/92/17/08/1172921708.db2.gz CMIRUJBXBAWYRO-UHFFFAOYSA-N 1 0 207.321 2.267 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000393874970 487587629 /nfs/dbraw/zinc/58/76/29/487587629.db2.gz FVVXIXMLVOLQQB-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)CCN1CCCC1 ZINC001172502956 974857850 /nfs/dbraw/zinc/85/78/50/974857850.db2.gz XLMJNPDTGPRQTB-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000279299839 166111675 /nfs/dbraw/zinc/11/16/75/166111675.db2.gz QDQHITROFBDVFR-UHFFFAOYSA-N 1 0 242.322 2.281 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2C[C@@H](C)C[C@H](C)C2)C1 ZINC001651554870 1172959066 /nfs/dbraw/zinc/95/90/66/1172959066.db2.gz XWAYVYKOSMFCQM-KKUMJFAQSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2C[C@H](C)C[C@H](C)C2)C1 ZINC001651554872 1172960587 /nfs/dbraw/zinc/96/05/87/1172960587.db2.gz XWAYVYKOSMFCQM-XUWVNRHRSA-N 1 0 248.414 2.498 20 30 BEEDRO C#CCC[NH2+]C1(c2nc(C)cs2)CCC1 ZINC000275181444 166147982 /nfs/dbraw/zinc/14/79/82/166147982.db2.gz NFYODCBXWGIQGG-UHFFFAOYSA-N 1 0 220.341 2.444 20 30 BEEDRO Cc1c[nH]c(Nc2c(C#N)cccc2C#N)[nH+]1 ZINC001651627412 1172966559 /nfs/dbraw/zinc/96/65/59/1172966559.db2.gz FVYUCKRZKHIUSI-UHFFFAOYSA-N 1 0 223.239 2.205 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001651667890 1172975387 /nfs/dbraw/zinc/97/53/87/1172975387.db2.gz MAIWQUZQPUQTFJ-VOMCLLRMSA-N 1 0 205.305 2.208 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc2c1OCO2 ZINC000150731685 166126974 /nfs/dbraw/zinc/12/69/74/166126974.db2.gz PFXVCJXODQSXLZ-UHFFFAOYSA-N 1 0 231.295 2.308 20 30 BEEDRO C#CCCCC[NH2+]Cc1nc2ccccc2n1C ZINC000150738893 166127121 /nfs/dbraw/zinc/12/71/21/166127121.db2.gz SUDCRHIZTMRXLF-UHFFFAOYSA-N 1 0 241.338 2.466 20 30 BEEDRO C#CCCC[N@@H+](CC)Cc1ccccn1 ZINC000161139035 166127952 /nfs/dbraw/zinc/12/79/52/166127952.db2.gz HANTZBDPCPNJFT-UHFFFAOYSA-N 1 0 202.301 2.317 20 30 BEEDRO C#CCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000271400084 166128156 /nfs/dbraw/zinc/12/81/56/166128156.db2.gz TXLLWYIYRYCSSC-UHFFFAOYSA-N 1 0 214.312 2.459 20 30 BEEDRO C#CCCC[N@@H+](C)CCOc1ccccc1 ZINC000271000472 166128197 /nfs/dbraw/zinc/12/81/97/166128197.db2.gz GBIDTIBOTMTNCX-UHFFFAOYSA-N 1 0 217.312 2.411 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](CO)c1ccc(OC)cc1 ZINC000271048579 166128602 /nfs/dbraw/zinc/12/86/02/166128602.db2.gz OZMPXHQRVWGMCS-OAHLLOKOSA-N 1 0 247.338 2.074 20 30 BEEDRO CCN1CCC([N@H+](C)[C@@H](C)CCCC#N)CC1 ZINC001172506797 974858588 /nfs/dbraw/zinc/85/85/88/974858588.db2.gz JNVFOAMKJRAHPH-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO C#CCCCN1CCOC[C@H]1c1ccc(C)o1 ZINC000271056077 166130982 /nfs/dbraw/zinc/13/09/82/166130982.db2.gz RFTWBVRHEYBTBY-ZDUSSCGKSA-N 1 0 233.311 2.375 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000270517101 166135555 /nfs/dbraw/zinc/13/55/55/166135555.db2.gz LEUZIVQWSSZWMZ-INIZCTEOSA-N 1 0 242.366 2.216 20 30 BEEDRO C#CCC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000270646895 166134871 /nfs/dbraw/zinc/13/48/71/166134871.db2.gz SOPYNGLUBDPQNU-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO OCCC1([NH2+]CC#Cc2ccccc2)CCCC1 ZINC000660682779 409542088 /nfs/dbraw/zinc/54/20/88/409542088.db2.gz UFVXNICMYHFYLE-UHFFFAOYSA-N 1 0 243.350 2.323 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H](OCCO)C1 ZINC000193349582 487610584 /nfs/dbraw/zinc/61/05/84/487610584.db2.gz ZRCITKWQXQZTHM-AWEZNQCLSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1NC(=O)CCC[NH2+]C ZINC000662603634 409776058 /nfs/dbraw/zinc/77/60/58/409776058.db2.gz YKIYBEJGERYLGI-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@]1(C(=O)N(CC)CCCC)CCC[NH2+]1 ZINC000662436885 409718477 /nfs/dbraw/zinc/71/84/77/409718477.db2.gz GFGXIDRTTPHTJB-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@]1(C(=O)N2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662436838 409718972 /nfs/dbraw/zinc/71/89/72/409718972.db2.gz DAJYFILVDGSFTK-TZMCWYRMSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@@]1(C(=O)N2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662436836 409719035 /nfs/dbraw/zinc/71/90/35/409719035.db2.gz DAJYFILVDGSFTK-JSGCOSHPSA-N 1 0 236.359 2.086 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc(C#N)c2)C1 ZINC000061811884 410047581 /nfs/dbraw/zinc/04/75/81/410047581.db2.gz DCZYHHXJFVGKIX-LBPRGKRZSA-N 1 0 244.342 2.095 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](CCC)C[C@H]1CCCCO1 ZINC000663259371 410090223 /nfs/dbraw/zinc/09/02/23/410090223.db2.gz BMJRCIABVUUHDW-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@@H](C)COC ZINC000661239963 410400150 /nfs/dbraw/zinc/40/01/50/410400150.db2.gz JZDADCRDIZCNKL-QWHCGFSZSA-N 1 0 241.375 2.467 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)[C@H](C)COC ZINC000661240668 410402834 /nfs/dbraw/zinc/40/28/34/410402834.db2.gz PUYLHVCOAGCDIL-HZSPNIEDSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](CCc1cscn1)[C@@H](C)COC ZINC000661241447 410404073 /nfs/dbraw/zinc/40/40/73/410404073.db2.gz YHZJBTBIMGRULB-NSHDSACASA-N 1 0 240.372 2.209 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@H](O)CC ZINC000173581198 166171003 /nfs/dbraw/zinc/17/10/03/166171003.db2.gz ORUNPKJMMSTCKI-CQSZACIVSA-N 1 0 235.302 2.032 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cn(C(C)(C)C)nc1C ZINC000166409732 166191367 /nfs/dbraw/zinc/19/13/67/166191367.db2.gz BBIBNYHWSNNECQ-JTQLQIEISA-N 1 0 219.332 2.230 20 30 BEEDRO C#CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000165994647 166192761 /nfs/dbraw/zinc/19/27/61/166192761.db2.gz PTERENCAFYEFRD-UKRRQHHQSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000157171137 166192808 /nfs/dbraw/zinc/19/28/08/166192808.db2.gz BRFUXSUZMVTZNV-ZBFHGGJFSA-N 1 0 242.366 2.120 20 30 BEEDRO C#CC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000019875598 166192915 /nfs/dbraw/zinc/19/29/15/166192915.db2.gz KDMQOBFEVMHKRM-CYBMUJFWSA-N 1 0 203.285 2.369 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)cc1 ZINC000189099798 166198884 /nfs/dbraw/zinc/19/88/84/166198884.db2.gz OYCUMFKNDRUUSS-STQMWFEESA-N 1 0 247.338 2.212 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C(C)C ZINC000020085503 166200377 /nfs/dbraw/zinc/20/03/77/166200377.db2.gz JORDVCMQOABJHW-UHFFFAOYSA-N 1 0 203.285 2.197 20 30 BEEDRO C#CCSCC[NH2+]Cc1csc(CC)n1 ZINC000152941499 166202950 /nfs/dbraw/zinc/20/29/50/166202950.db2.gz DBKFVRJXNREFKR-UHFFFAOYSA-N 1 0 240.397 2.162 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccnc1Cl ZINC000152921664 166202956 /nfs/dbraw/zinc/20/29/56/166202956.db2.gz NHXWEJFJVCFCBE-UHFFFAOYSA-N 1 0 240.759 2.191 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)[C@@H]2C=CCCC2)n1 ZINC000279661136 166207509 /nfs/dbraw/zinc/20/75/09/166207509.db2.gz CUEYGZXYFHKBGX-OAHLLOKOSA-N 1 0 243.354 2.447 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC(C)(C)C)c1ccc(F)cc1 ZINC000262668522 166213384 /nfs/dbraw/zinc/21/33/84/166213384.db2.gz OKJYXGZOOKNGQS-LBPRGKRZSA-N 1 0 247.317 2.203 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000289562094 166217449 /nfs/dbraw/zinc/21/74/49/166217449.db2.gz RUYGTGWNSULYHD-STQMWFEESA-N 1 0 201.313 2.477 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CCCSCC1 ZINC000276955130 166226290 /nfs/dbraw/zinc/22/62/90/166226290.db2.gz LNCQTIDBLULPAS-UHFFFAOYSA-N 1 0 231.364 2.477 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](CC)C(=O)OCC ZINC000173483896 166234617 /nfs/dbraw/zinc/23/46/17/166234617.db2.gz DQRGNVHAAYSDSE-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@@H+](C)CCCn1ccnc1C ZINC000270686189 166232451 /nfs/dbraw/zinc/23/24/51/166232451.db2.gz VJUFRMMLJKOKIW-UHFFFAOYSA-N 1 0 221.348 2.480 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000172174153 166232954 /nfs/dbraw/zinc/23/29/54/166232954.db2.gz MULVTAGKWZTKIK-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnn(C)c1C ZINC000268982796 166233219 /nfs/dbraw/zinc/23/32/19/166233219.db2.gz DUTSCSGXEQRMJA-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C=CCCC[N@H+]1CCCCC[C@@H]1C(=O)OC ZINC000364694439 166234695 /nfs/dbraw/zinc/23/46/95/166234695.db2.gz GRDPRWFMLXDGLJ-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC[NH+]1CCN(Cc2ccncc2)CC1 ZINC000153163903 166235441 /nfs/dbraw/zinc/23/54/41/166235441.db2.gz 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C=CCC[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000338563413 166267280 /nfs/dbraw/zinc/26/72/80/166267280.db2.gz LVFQYMPLIUQMNX-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC[C@H](C)O)C1CC1 ZINC000336774045 166296247 /nfs/dbraw/zinc/29/62/47/166296247.db2.gz ZLEUDJBHVPEKHC-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(OC)cc1 ZINC000268621489 166297213 /nfs/dbraw/zinc/29/72/13/166297213.db2.gz IOPYYKQPLWVFNZ-CQSZACIVSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1scnc1C ZINC000177503978 166297980 /nfs/dbraw/zinc/29/79/80/166297980.db2.gz HIHQJFQVPZYKSS-LLVKDONJSA-N 1 0 240.372 2.210 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000159226607 166300073 /nfs/dbraw/zinc/30/00/73/166300073.db2.gz FVMVCGRQFAKBLH-RYUDHWBXSA-N 1 0 207.321 2.216 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCc2nccn2C1 ZINC000275475081 166300103 /nfs/dbraw/zinc/30/01/03/166300103.db2.gz HXYVFEXCIHJCIS-STQMWFEESA-N 1 0 233.359 2.390 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CO)c1ccco1 ZINC000276479300 166300966 /nfs/dbraw/zinc/30/09/66/166300966.db2.gz RHYMSLNDBJDFHZ-MNOVXSKESA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000271067563 166302787 /nfs/dbraw/zinc/30/27/87/166302787.db2.gz GQJKYXPHKFIERA-STQMWFEESA-N 1 0 234.343 2.402 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1ccccc1OC ZINC000268672385 166303428 /nfs/dbraw/zinc/30/34/28/166303428.db2.gz UTFQBWRTYZAEGZ-AWEZNQCLSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](COCC)C1 ZINC000305043426 166303847 /nfs/dbraw/zinc/30/38/47/166303847.db2.gz AFNRCXDPNNBZAU-KBPBESRZSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(Br)cn1 ZINC000275033883 166321323 /nfs/dbraw/zinc/32/13/23/166321323.db2.gz ATARZEHVPJALRJ-UHFFFAOYSA-N 1 0 241.132 2.462 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(OCC)ccc1O ZINC000154789285 166321833 /nfs/dbraw/zinc/32/18/33/166321833.db2.gz HWFGYYYRYGAFNP-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000189022265 166321851 /nfs/dbraw/zinc/32/18/51/166321851.db2.gz ZUDKESVLAMBEHT-UHFFFAOYSA-N 1 0 237.274 2.230 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(=C)CC1 ZINC000264425246 166331363 /nfs/dbraw/zinc/33/13/63/166331363.db2.gz BCNCTIGSJGLYAC-AWEZNQCLSA-N 1 0 248.370 2.228 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019504412 166331366 /nfs/dbraw/zinc/33/13/66/166331366.db2.gz VMQURZHANJZYRQ-RDBSUJKOSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1nc(C)no1 ZINC000272286009 166344336 /nfs/dbraw/zinc/34/43/36/166344336.db2.gz NJRZEIZCCFVYEM-UHFFFAOYSA-N 1 0 247.298 2.202 20 30 BEEDRO C=CC[N@H+](Cc1cnn(C=C)c1)C1CC1 ZINC000278478698 166349919 /nfs/dbraw/zinc/34/99/19/166349919.db2.gz IYQADPRBXZMINT-UHFFFAOYSA-N 1 0 203.289 2.134 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 ZINC000171722451 166352654 /nfs/dbraw/zinc/35/26/54/166352654.db2.gz GLOFEYFOSOKNHP-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH+]1CCC(Nc2cccc(F)n2)CC1 ZINC000266380481 166352783 /nfs/dbraw/zinc/35/27/83/166352783.db2.gz MVJFXPDQCZOEFT-UHFFFAOYSA-N 1 0 235.306 2.283 20 30 BEEDRO C=CC[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000278589910 166352820 /nfs/dbraw/zinc/35/28/20/166352820.db2.gz KZKWQXWARPHKIN-UHFFFAOYSA-N 1 0 232.327 2.419 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000179570896 166369719 /nfs/dbraw/zinc/36/97/19/166369719.db2.gz XPVJXXDZIAZVIF-CYBMUJFWSA-N 1 0 246.354 2.256 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000020311964 166382992 /nfs/dbraw/zinc/38/29/92/166382992.db2.gz IFGPBASSHDIOBI-NWDGAFQWSA-N 1 0 232.327 2.028 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cncn2C)C1 ZINC000661379518 410594121 /nfs/dbraw/zinc/59/41/21/410594121.db2.gz CYCKAMXATNEMGR-LBPRGKRZSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](C[C@H]2CCCO2)C1 ZINC000661378747 410594238 /nfs/dbraw/zinc/59/42/38/410594238.db2.gz LNRPRMQHGZVYTF-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H](O)C(C)C)C1 ZINC000661384299 410599658 /nfs/dbraw/zinc/59/96/58/410599658.db2.gz HZPDGKMPWJAFLH-STQMWFEESA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000661386883 410603381 /nfs/dbraw/zinc/60/33/81/410603381.db2.gz VPSPMLCBEQUNIC-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO CC(C)(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000269524982 166595379 /nfs/dbraw/zinc/59/53/79/166595379.db2.gz UIDGWHKEOJIXRH-AWEZNQCLSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000269524983 166602506 /nfs/dbraw/zinc/60/25/06/166602506.db2.gz UIDGWHKEOJIXRH-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000121352084 166602639 /nfs/dbraw/zinc/60/26/39/166602639.db2.gz HOTGXBHKYLDXEW-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661500020 410712828 /nfs/dbraw/zinc/71/28/28/410712828.db2.gz SAVIIIIZMWJUKO-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)N ZINC000665237824 410727173 /nfs/dbraw/zinc/72/71/73/410727173.db2.gz KTGRJXHHCVMUAN-TZMCWYRMSA-N 1 0 218.344 2.111 20 30 BEEDRO CC(C)OCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000181603350 167207052 /nfs/dbraw/zinc/20/70/52/167207052.db2.gz WGPRFVYDYQYSPT-UHFFFAOYSA-N 1 0 236.315 2.446 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)CCF ZINC000652016969 410982448 /nfs/dbraw/zinc/98/24/48/410982448.db2.gz LBEZZFOEGAQZKU-NWDGAFQWSA-N 1 0 217.328 2.431 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000652014514 410944854 /nfs/dbraw/zinc/94/48/54/410944854.db2.gz BTEYNVLEKBFGCL-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC(=O)N(CC)C1 ZINC000652014512 410945313 /nfs/dbraw/zinc/94/53/13/410945313.db2.gz BTEYNVLEKBFGCL-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661622516 411076616 /nfs/dbraw/zinc/07/66/16/411076616.db2.gz UNBJOKSXSHURHZ-RYUDHWBXSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCOCCOC)C1 ZINC000651670127 411133807 /nfs/dbraw/zinc/13/38/07/411133807.db2.gz WUQPRPKQNVSMFO-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNC(=O)C(C)C)C1 ZINC000651668199 411134428 /nfs/dbraw/zinc/13/44/28/411134428.db2.gz BRFUPEDIVQWDAG-CHWSQXEVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000651710108 411137637 /nfs/dbraw/zinc/13/76/37/411137637.db2.gz QVBGMBDHQNRHEA-VXGBXAGGSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000651710106 411137652 /nfs/dbraw/zinc/13/76/52/411137652.db2.gz QVBGMBDHQNRHEA-NWDGAFQWSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000651714138 411137925 /nfs/dbraw/zinc/13/79/25/411137925.db2.gz QZRXTBHBJCJNBV-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000651714139 411137952 /nfs/dbraw/zinc/13/79/52/411137952.db2.gz QZRXTBHBJCJNBV-RYUDHWBXSA-N 1 0 209.333 2.236 20 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210.365 2.271 20 30 BEEDRO C=CCOCC[NH2+][C@H](COC)CC(C)(C)C ZINC000651757913 411141762 /nfs/dbraw/zinc/14/17/62/411141762.db2.gz HQEZFFDBUCVPBM-LBPRGKRZSA-N 1 0 229.364 2.230 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000651763330 411142169 /nfs/dbraw/zinc/14/21/69/411142169.db2.gz RLAHVFCCTKDOTJ-MGPQQGTHSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cc(C(N)=O)co2)C1 ZINC000651767706 411142805 /nfs/dbraw/zinc/14/28/05/411142805.db2.gz IWCQBENWXGHXHJ-CMPLNLGQSA-N 1 0 248.326 2.213 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)CC)C1 ZINC000651784335 411143492 /nfs/dbraw/zinc/14/34/92/411143492.db2.gz LJKPMBBQANAXHQ-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ncnn2C)C1 ZINC000651784379 411143511 /nfs/dbraw/zinc/14/35/11/411143511.db2.gz MWGBTMLUHMPERI-QJPTWQEYSA-N 1 0 234.347 2.211 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)CC)C1 ZINC000651784333 411143549 /nfs/dbraw/zinc/14/35/49/411143549.db2.gz LJKPMBBQANAXHQ-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1 ZINC000651820483 411145804 /nfs/dbraw/zinc/14/58/04/411145804.db2.gz IBJPPKVMMMLASG-MQYQWHSLSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H](C)N(C)C)C1 ZINC000651823058 411146061 /nfs/dbraw/zinc/14/60/61/411146061.db2.gz UMKSHBCKCIXKEM-AVGNSLFASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H](C)N(C)C)C1 ZINC000651823059 411146082 /nfs/dbraw/zinc/14/60/82/411146082.db2.gz UMKSHBCKCIXKEM-RWMBFGLXSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCO ZINC000657893293 411156324 /nfs/dbraw/zinc/15/63/24/411156324.db2.gz WZCCGUKMUDPUAE-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncnn1C ZINC000657896307 411158118 /nfs/dbraw/zinc/15/81/18/411158118.db2.gz SZRALBOSWFYILU-NEPJUHHUSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1(CO)CC1 ZINC000657897784 411158787 /nfs/dbraw/zinc/15/87/87/411158787.db2.gz INKVYHVUPGRACV-STQMWFEESA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652045092 411093456 /nfs/dbraw/zinc/09/34/56/411093456.db2.gz ZEVAYUKSYPBBMI-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CC[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000105760666 411161845 /nfs/dbraw/zinc/16/18/45/411161845.db2.gz LMEGGWBETBUCTC-SNVBAGLBSA-N 1 0 233.311 2.294 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCN1CCC1 ZINC000657930720 411170242 /nfs/dbraw/zinc/17/02/42/411170242.db2.gz KIWKZZXNNVLKKN-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000657939174 411174538 /nfs/dbraw/zinc/17/45/38/411174538.db2.gz RGIWQXMWFOGIDP-VXGBXAGGSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000657954385 411179780 /nfs/dbraw/zinc/17/97/80/411179780.db2.gz ZBKRYSXPZILEGW-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO CN(CC[NH+]1CCCC1)Cc1ccc(C#N)cc1 ZINC000058617304 411185467 /nfs/dbraw/zinc/18/54/67/411185467.db2.gz YDJDENHJQSIWBU-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(F)(F)CO ZINC000657977625 411186729 /nfs/dbraw/zinc/18/67/29/411186729.db2.gz DDZJUABBVRVQLS-QWRGUYRKSA-N 1 0 233.302 2.339 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653813016 411189842 /nfs/dbraw/zinc/18/98/42/411189842.db2.gz WRFJXOLMNVYATP-ZDUSSCGKSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC(CSC)CC1 ZINC000320694064 411194021 /nfs/dbraw/zinc/19/40/21/411194021.db2.gz WXJKCLMBNLAKTJ-WXRRBKDZSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CCCC1(C[NH2+][C@H](C)CC(N)=O)CCCC1 ZINC000658096421 411244675 /nfs/dbraw/zinc/24/46/75/411244675.db2.gz NGBOJAOKNLVXMM-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000658037532 411213881 /nfs/dbraw/zinc/21/38/81/411213881.db2.gz HSXFDDMPWJXEFN-JQWIXIFHSA-N 1 0 245.313 2.255 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1cn(C)nn1 ZINC000658043204 411216693 /nfs/dbraw/zinc/21/66/93/411216693.db2.gz BRWIKCNKAQCLCT-TZMCWYRMSA-N 1 0 248.374 2.082 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@](C)(CO)OC ZINC000658049010 411218252 /nfs/dbraw/zinc/21/82/52/411218252.db2.gz ZXNNNBVFJITQOJ-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000423202954 411237840 /nfs/dbraw/zinc/23/78/40/411237840.db2.gz LPOWYDZBURNPQP-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)C1CCC1 ZINC000658087674 411238471 /nfs/dbraw/zinc/23/84/71/411238471.db2.gz MDCKYUVOWBZVRH-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](COC)CC1CCOCC1 ZINC000657917827 411166095 /nfs/dbraw/zinc/16/60/95/411166095.db2.gz FJTLGMIZOVQWEA-JSGCOSHPSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2(COC)CC2)C1 ZINC000652179451 411166143 /nfs/dbraw/zinc/16/61/43/411166143.db2.gz OCQSIGCCOWQAKT-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)N(C)C1CC1 ZINC000192833172 411261568 /nfs/dbraw/zinc/26/15/68/411261568.db2.gz MTOPLRIAHWVTOQ-AGIUHOORSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C/C=C/CO ZINC000658139791 411264463 /nfs/dbraw/zinc/26/44/63/411264463.db2.gz SFGMZMLZWDJXGR-FBVTZJDUSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/CO ZINC000658139793 411264770 /nfs/dbraw/zinc/26/47/70/411264770.db2.gz SFGMZMLZWDJXGR-PBJSTTKNSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C1(CO)CC1 ZINC000658159320 411272655 /nfs/dbraw/zinc/27/26/55/411272655.db2.gz IQKDIXVXPAGBGM-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C1(CO)CC1 ZINC000658159322 411272662 /nfs/dbraw/zinc/27/26/62/411272662.db2.gz IQKDIXVXPAGBGM-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)Cc1ccoc1 ZINC000658205013 411292286 /nfs/dbraw/zinc/29/22/86/411292286.db2.gz DIBIBMIFVGMPQE-GFCCVEGCSA-N 1 0 223.316 2.393 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1nccnc1C ZINC000658207229 411293692 /nfs/dbraw/zinc/29/36/92/411293692.db2.gz SSYXLOMLUDVRAJ-LLVKDONJSA-N 1 0 235.331 2.028 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655777495 411296819 /nfs/dbraw/zinc/29/68/19/411296819.db2.gz ULJCSZOMQUZBKX-XQHKEYJVSA-N 1 0 241.400 2.451 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655777493 411296959 /nfs/dbraw/zinc/29/69/59/411296959.db2.gz ULJCSZOMQUZBKX-RVMXOQNASA-N 1 0 241.400 2.451 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655777492 411296999 /nfs/dbraw/zinc/29/69/99/411296999.db2.gz ULJCSZOMQUZBKX-CYDGBPFRSA-N 1 0 241.400 2.451 20 30 BEEDRO C=CCC[NH2+][C@H](COC)Cc1ccccc1 ZINC000658115765 411249089 /nfs/dbraw/zinc/24/90/89/411249089.db2.gz DBYSFJYOFZGQNF-AWEZNQCLSA-N 1 0 219.328 2.410 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cccc(CO)c1 ZINC000658116149 411249184 /nfs/dbraw/zinc/24/91/84/411249184.db2.gz GZUUQXQYWRSAFE-LLVKDONJSA-N 1 0 205.301 2.406 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCCn2ccnc21 ZINC000655772908 411255733 /nfs/dbraw/zinc/25/57/33/411255733.db2.gz NLATWHZBDDQQIB-NSHDSACASA-N 1 0 205.305 2.274 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H](O)C1 ZINC000658348875 411350531 /nfs/dbraw/zinc/35/05/31/411350531.db2.gz SROZRRALVNAIOG-FDYHWXHSSA-N 1 0 209.333 2.234 20 30 BEEDRO CC1(CNc2ccc(C#N)cc2F)CC[NH2+]CC1 ZINC000129461165 168046733 /nfs/dbraw/zinc/04/67/33/168046733.db2.gz PHSLXYVZHLXWPV-UHFFFAOYSA-N 1 0 247.317 2.499 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000659328471 411357309 /nfs/dbraw/zinc/35/73/09/411357309.db2.gz GRQSHPLKPZWFRN-RVMXOQNASA-N 1 0 238.375 2.221 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000658933133 411362731 /nfs/dbraw/zinc/36/27/31/411362731.db2.gz ZMWPQRUICYYDSJ-UPJWGTAASA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCNC(=O)Nc1ccccc1C[NH2+]C ZINC000659020343 411367191 /nfs/dbraw/zinc/36/71/91/411367191.db2.gz VVNYGVMIBIGUHW-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000661968612 411337188 /nfs/dbraw/zinc/33/71/88/411337188.db2.gz ZJBADUWPLWGYQY-HUUCEWRRSA-N 1 0 211.308 2.380 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000656704460 411339504 /nfs/dbraw/zinc/33/95/04/411339504.db2.gz IZMGQAXZUZVSAR-JSGCOSHPSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCCC1(C[NH2+]C[C@H](C)O)CCCC1 ZINC000656702817 411339899 /nfs/dbraw/zinc/33/98/99/411339899.db2.gz JXGSEBNOIOLVJH-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO COCC#CC[NH2+][C@]1(C)CCCC[C@H]1C ZINC000656726373 411341267 /nfs/dbraw/zinc/34/12/67/411341267.db2.gz UUTOGERAQVJEQZ-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000658334060 411342404 /nfs/dbraw/zinc/34/24/04/411342404.db2.gz BZCCZOWKJBXMKD-HUUCEWRRSA-N 1 0 231.339 2.071 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC(C)(C)C[C@@H]2C)nn1 ZINC000653762149 411342456 /nfs/dbraw/zinc/34/24/56/411342456.db2.gz XKRFPINKSQELBW-LBPRGKRZSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nccn1C ZINC000658335538 411343465 /nfs/dbraw/zinc/34/34/65/411343465.db2.gz BGYCRCGTNRWKSL-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000658334714 411343766 /nfs/dbraw/zinc/34/37/66/411343766.db2.gz SUTOYEVBOULALU-RISCZKNCSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000063190879 411343935 /nfs/dbraw/zinc/34/39/35/411343935.db2.gz ZOJPSMCCELMBEI-UHFFFAOYSA-N 1 0 204.273 2.050 20 30 BEEDRO CC1(CC[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000280653598 168019812 /nfs/dbraw/zinc/01/98/12/168019812.db2.gz SIPVCKGAJMYPLR-UHFFFAOYSA-N 1 0 204.273 2.431 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@H](C)C(C)C)nn1 ZINC000653486047 411376867 /nfs/dbraw/zinc/37/68/67/411376867.db2.gz ISCOPHAFUGZHMM-GFCCVEGCSA-N 1 0 236.363 2.331 20 30 BEEDRO CC1=CCC[N@H+](C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000280967731 168100922 /nfs/dbraw/zinc/10/09/22/168100922.db2.gz ZUYRHVGHPKZYCK-HNNXBMFYSA-N 1 0 242.322 2.244 20 30 BEEDRO CC1=CC[N@H+](CCNc2cccc(C#N)n2)CC1 ZINC000358320277 168112025 /nfs/dbraw/zinc/11/20/25/168112025.db2.gz OGEALEYGTJYBNB-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO CC1=CC[N@H+](CCNc2cnccc2C#N)CC1 ZINC000358325161 168113086 /nfs/dbraw/zinc/11/30/86/168113086.db2.gz AVQNQRKTBLRYJJ-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO CC1=CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000270393034 168116142 /nfs/dbraw/zinc/11/61/42/168116142.db2.gz YLCNTTUULBDDKE-HNNXBMFYSA-N 1 0 242.322 2.244 20 30 BEEDRO C=CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659918466 411381884 /nfs/dbraw/zinc/38/18/84/411381884.db2.gz WUPCYYOYROCMHY-LLVKDONJSA-N 1 0 231.286 2.309 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)[C@@H](C)C(C)C)nn1 ZINC000653486048 411376690 /nfs/dbraw/zinc/37/66/90/411376690.db2.gz ISCOPHAFUGZHMM-LBPRGKRZSA-N 1 0 236.363 2.331 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H]1CCCn2ccnc21 ZINC000655731142 411376820 /nfs/dbraw/zinc/37/68/20/411376820.db2.gz VJYKEIQFWMYXEC-MNOVXSKESA-N 1 0 205.305 2.272 20 30 BEEDRO CC1CC[NH+](CCNc2ccc(C#N)nc2)CC1 ZINC000149361687 168180992 /nfs/dbraw/zinc/18/09/92/168180992.db2.gz OEWCQOXTMDYJTQ-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CC2(C1)CCOCC2 ZINC001172507943 974861934 /nfs/dbraw/zinc/86/19/34/974861934.db2.gz ZFWUVTPTSOYZLW-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000491661960 411395208 /nfs/dbraw/zinc/39/52/08/411395208.db2.gz BJLDHCXYDGOGBF-QWHCGFSZSA-N 1 0 233.359 2.396 20 30 BEEDRO C=CCCC1(CNC(=O)[C@H](C)C[NH3+])CCCC1 ZINC000659335284 411397922 /nfs/dbraw/zinc/39/79/22/411397922.db2.gz XYHWDZJWCGOCGH-GFCCVEGCSA-N 1 0 238.375 2.224 20 30 BEEDRO CC#CCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000185030429 411400113 /nfs/dbraw/zinc/40/01/13/411400113.db2.gz YWBJJZMFNPMZES-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@H](C)CC2)nn1 ZINC000653510331 411415781 /nfs/dbraw/zinc/41/57/81/411415781.db2.gz XZTNZEHRUPPMOC-ZDUSSCGKSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@@H](C)C[C@H]2CC)nn1 ZINC000653562267 411421827 /nfs/dbraw/zinc/42/18/27/411421827.db2.gz LQGVPAJGKBXZQC-GXTWGEPZSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CC[NH2+]Cc1ccc(O[C@@H](C)COC)cc1 ZINC000657287049 411446730 /nfs/dbraw/zinc/44/67/30/411446730.db2.gz GRYIZVGZUBNVJK-LBPRGKRZSA-N 1 0 235.327 2.376 20 30 BEEDRO C=CCN(CCC#N)CCC(=O)OCCCC ZINC000292058823 411468838 /nfs/dbraw/zinc/46/88/38/411468838.db2.gz BUPAAXULXQYHQX-UHFFFAOYSA-N 1 0 238.331 2.121 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC(CC)CC)nn1 ZINC000657354814 411474283 /nfs/dbraw/zinc/47/42/83/411474283.db2.gz UZXUZWRTVNRVQJ-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCCC2CC2)nn1 ZINC000657363786 411481686 /nfs/dbraw/zinc/48/16/86/411481686.db2.gz CALYPOXDGDWGRL-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO CCNC(=[NH2+])NCC1(c2ccccc2)CCC1 ZINC000264116879 169945443 /nfs/dbraw/zinc/94/54/43/169945443.db2.gz QCQHMMCUKJQCFF-UHFFFAOYSA-N 1 0 231.343 2.033 20 30 BEEDRO C[N@H+](CCNc1ccc(C#N)cc1)C1CC1 ZINC000059035231 411499044 /nfs/dbraw/zinc/49/90/44/411499044.db2.gz MFKQZYKWEJSQNN-UHFFFAOYSA-N 1 0 215.300 2.064 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(COC)cs1 ZINC000657428832 411507186 /nfs/dbraw/zinc/50/71/86/411507186.db2.gz CBXRCEAPOLMHOS-UHFFFAOYSA-N 1 0 241.356 2.187 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657454508 411514612 /nfs/dbraw/zinc/51/46/12/411514612.db2.gz KPQPXFPBZLFASB-RFGFWPKPSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657454506 411515183 /nfs/dbraw/zinc/51/51/83/411515183.db2.gz KPQPXFPBZLFASB-MQYQWHSLSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@](C)(CO)OC ZINC000655802122 411518247 /nfs/dbraw/zinc/51/82/47/411518247.db2.gz WWTBTNKJRNGBTR-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657484501 411529276 /nfs/dbraw/zinc/52/92/76/411529276.db2.gz MEPGIKFFHUCKQN-UHFFFAOYSA-N 1 0 247.264 2.495 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000657583027 411554455 /nfs/dbraw/zinc/55/44/55/411554455.db2.gz UKFPUZJYBXAGGP-UHFFFAOYSA-N 1 0 201.273 2.229 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000657583064 411554599 /nfs/dbraw/zinc/55/45/99/411554599.db2.gz WXNXFKVLXCKODQ-CYBMUJFWSA-N 1 0 216.328 2.431 20 30 BEEDRO C=CCC[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000657582778 411554666 /nfs/dbraw/zinc/55/46/66/411554666.db2.gz FZUAFFHUHKPUTM-UHFFFAOYSA-N 1 0 230.315 2.012 20 30 BEEDRO C=CCC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000657582756 411554722 /nfs/dbraw/zinc/55/47/22/411554722.db2.gz DSEPADDURMLVSO-UHFFFAOYSA-N 1 0 242.326 2.148 20 30 BEEDRO C=CCC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000657582697 411554822 /nfs/dbraw/zinc/55/48/22/411554822.db2.gz ANMKSFALNZQSAK-UHFFFAOYSA-N 1 0 246.354 2.189 20 30 BEEDRO C=CCOCCC[NH2+]Cc1occc1C ZINC000657658230 411571900 /nfs/dbraw/zinc/57/19/00/411571900.db2.gz PROYAQXKJDKOMU-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000657658717 411572263 /nfs/dbraw/zinc/57/22/63/411572263.db2.gz AVEWCLHZXMRYPU-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnc(CC)s1 ZINC000657658355 411572339 /nfs/dbraw/zinc/57/23/39/411572339.db2.gz TXJXWPWEWHUBKG-UHFFFAOYSA-N 1 0 240.372 2.388 20 30 BEEDRO CCOC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000159240763 170313051 /nfs/dbraw/zinc/31/30/51/170313051.db2.gz XDDUZVBGUACUFN-UHFFFAOYSA-N 1 0 232.327 2.463 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnccc1C ZINC000657659219 411572830 /nfs/dbraw/zinc/57/28/30/411572830.db2.gz RNOPNCCXVIGGRW-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO CCOC1CC(C[NH+]2CCC(F)(C#N)CC2)C1 ZINC000352485040 170324427 /nfs/dbraw/zinc/32/44/27/170324427.db2.gz WTICLNHVEZAJPL-UHFFFAOYSA-N 1 0 240.322 2.129 20 30 BEEDRO CCOCC(C)(C)[NH2+]Cc1ccc(C#N)o1 ZINC000292994331 170354883 /nfs/dbraw/zinc/35/48/83/170354883.db2.gz OFJFKJPENIVSSG-UHFFFAOYSA-N 1 0 222.288 2.056 20 30 BEEDRO CCCn1cncc1C[NH+]1CCC(CC#N)CC1 ZINC001652187273 1173042121 /nfs/dbraw/zinc/04/21/21/1173042121.db2.gz RJXQLWDWZYZIFL-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO C=CC[C@H]1[N@@H+](CCc2cn[nH]n2)CCCC1(C)C ZINC000660421990 411582650 /nfs/dbraw/zinc/58/26/50/411582650.db2.gz ADMPIAZYRLQGPC-CYBMUJFWSA-N 1 0 248.374 2.414 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OCCC)cc1 ZINC000657791742 411597911 /nfs/dbraw/zinc/59/79/11/411597911.db2.gz IOYWOUTXRUUFAO-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1nccnc1OC ZINC000657805561 411600553 /nfs/dbraw/zinc/60/05/53/411600553.db2.gz QWXJSLJRZVCYJI-UHFFFAOYSA-N 1 0 235.331 2.320 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1COCCO1 ZINC000657842923 411610776 /nfs/dbraw/zinc/61/07/76/411610776.db2.gz LJGNRRSPRKANFU-MCIONIFRSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](C)CO ZINC000657846759 411610938 /nfs/dbraw/zinc/61/09/38/411610938.db2.gz QFDQYHBGNNELMS-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000661113878 411712648 /nfs/dbraw/zinc/71/26/48/411712648.db2.gz BULLHWXMEFNYHP-NWDGAFQWSA-N 1 0 234.347 2.338 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc(C)[nH]1 ZINC000661113880 411712823 /nfs/dbraw/zinc/71/28/23/411712823.db2.gz BULLHWXMEFNYHP-VXGBXAGGSA-N 1 0 234.347 2.338 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000661170601 411729142 /nfs/dbraw/zinc/72/91/42/411729142.db2.gz JJNMTGCJZPOMKH-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000661202641 411732712 /nfs/dbraw/zinc/73/27/12/411732712.db2.gz QXKQAMGAONCOKO-FRRDWIJNSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000661215353 411734643 /nfs/dbraw/zinc/73/46/43/411734643.db2.gz MYAUIOMXECDBLY-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@@H+](CCc1cccnc1)[C@@H](C)COC ZINC000661239477 411741483 /nfs/dbraw/zinc/74/14/83/411741483.db2.gz GNDHXEHSMIMECK-ZDUSSCGKSA-N 1 0 234.343 2.147 20 30 BEEDRO C=CC[N@@H+](CCCOC(C)C)[C@H](C)COC ZINC000661242952 411743732 /nfs/dbraw/zinc/74/37/32/411743732.db2.gz HMDVMTNLNSUATQ-CYBMUJFWSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@H]2CCCOC2)C1 ZINC000661380065 411752587 /nfs/dbraw/zinc/75/25/87/411752587.db2.gz DLXWQGSLBDVPGF-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](C)CC)C1 ZINC000661377749 411760695 /nfs/dbraw/zinc/76/06/95/411760695.db2.gz TUHQXPUVFWFFLJ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H](CC=C)C1 ZINC000661384721 411764383 /nfs/dbraw/zinc/76/43/83/411764383.db2.gz KMBLIABDJWWNBC-ZDUSSCGKSA-N 1 0 209.333 2.477 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](CO)C(=C)C)C1 ZINC000661382207 411764690 /nfs/dbraw/zinc/76/46/90/411764690.db2.gz ULDSXMJWEOOYGL-STQMWFEESA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661433407 411773816 /nfs/dbraw/zinc/77/38/16/411773816.db2.gz DVQORGJRPDVLKP-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H]1C[NH+](CCCC(C)(C)C#N)C[C@@H](C)C1=O ZINC000661549734 411800963 /nfs/dbraw/zinc/80/09/63/411800963.db2.gz RGROIDYNJXSRNN-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661626873 411822499 /nfs/dbraw/zinc/82/24/99/411822499.db2.gz OMDRLKNQZWOVJJ-ZDUSSCGKSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[N@@H+](CCC(=O)NC(C)C)C(C)(C)C ZINC000661754950 411866410 /nfs/dbraw/zinc/86/64/10/411866410.db2.gz ICFMADYBCCPQJH-UHFFFAOYSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC1([NH2+]C[C@H](COC)OC)CCCC1 ZINC000661850635 411900892 /nfs/dbraw/zinc/90/08/92/411900892.db2.gz LSLZFIGNWOCNPQ-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC1([NH2+]Cc2nnc(C)[nH]2)CCCC1 ZINC000661850592 411901310 /nfs/dbraw/zinc/90/13/10/411901310.db2.gz KOLXAHCVYVEZNC-UHFFFAOYSA-N 1 0 220.320 2.092 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](COC)OC)CCCC1 ZINC000661850636 411901549 /nfs/dbraw/zinc/90/15/49/411901549.db2.gz LSLZFIGNWOCNPQ-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661857444 411905409 /nfs/dbraw/zinc/90/54/09/411905409.db2.gz NVPPTGDDILGOBG-UPJWGTAASA-N 1 0 209.333 2.288 20 30 BEEDRO C=CC[N@@H+](CCc1ccnn1C)C(C)(C)C ZINC000661760760 411872041 /nfs/dbraw/zinc/87/20/41/411872041.db2.gz ZOCNKWYXZQMEDM-UHFFFAOYSA-N 1 0 221.348 2.249 20 30 BEEDRO C=CCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661776448 411883159 /nfs/dbraw/zinc/88/31/59/411883159.db2.gz ZTTTWFZSKYOBKH-KBPBESRZSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CCOCC[NH+]1CCC(c2ccon2)CC1 ZINC000662049042 411966233 /nfs/dbraw/zinc/96/62/33/411966233.db2.gz ORRDTYYXXYJKBR-UHFFFAOYSA-N 1 0 236.315 2.057 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N[C@@H](C)CC ZINC000662081541 411979011 /nfs/dbraw/zinc/97/90/11/411979011.db2.gz UPTFRRYNFGFZPL-RWMBFGLXSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC1CCC1 ZINC000662084640 411981577 /nfs/dbraw/zinc/98/15/77/411981577.db2.gz UDHMGAJAISNMST-OKILXGFUSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)O ZINC000662083590 411981908 /nfs/dbraw/zinc/98/19/08/411981908.db2.gz GUHUFDBBWBLTGJ-TXEJJXNPSA-N 1 0 209.333 2.330 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CCC ZINC000662088619 411982935 /nfs/dbraw/zinc/98/29/35/411982935.db2.gz KPDZWCJAUYSVBM-XQQFMLRXSA-N 1 0 209.333 2.330 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)n1 ZINC000662088195 411984180 /nfs/dbraw/zinc/98/41/80/411984180.db2.gz ZPPNNTGPUNHDQL-BETUJISGSA-N 1 0 217.316 2.103 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662145857 412006451 /nfs/dbraw/zinc/00/64/51/412006451.db2.gz ZICOCSCUZPUGPW-QWHCGFSZSA-N 1 0 211.349 2.293 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC/C=C\c1ccccc1 ZINC000662168426 412016764 /nfs/dbraw/zinc/01/67/64/412016764.db2.gz GDPPZEAYBGHIMP-LBIZBFCRSA-N 1 0 217.312 2.226 20 30 BEEDRO C=C(C)C[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664872093 412036705 /nfs/dbraw/zinc/03/67/05/412036705.db2.gz UFMGWNNWZIMRBM-UHFFFAOYSA-N 1 0 233.359 2.381 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(c2ccncn2)CC1 ZINC000664791932 412022186 /nfs/dbraw/zinc/02/21/86/412022186.db2.gz YTXWYXQWFPPFBB-CYBMUJFWSA-N 1 0 243.354 2.458 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1CC#Cc1ccccc1 ZINC000276904727 171210859 /nfs/dbraw/zinc/21/08/59/171210859.db2.gz DYZINPWDMNRJQQ-INIZCTEOSA-N 1 0 243.350 2.275 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000336417196 171214686 /nfs/dbraw/zinc/21/46/86/171214686.db2.gz PAWPQVPOLWZAHG-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000362977898 171368423 /nfs/dbraw/zinc/36/84/23/171368423.db2.gz VNTCXMXEHNHOFS-SMDDNHRTSA-N 1 0 249.358 2.047 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(C#N)o1)OC ZINC000362977180 171368997 /nfs/dbraw/zinc/36/89/97/171368997.db2.gz PGMQRQAYTQRKRW-GXFFZTMASA-N 1 0 236.315 2.302 20 30 BEEDRO C=CCCC[N@H+]1CCc2c(cccc2C(N)=O)C1 ZINC000662300222 412087124 /nfs/dbraw/zinc/08/71/24/412087124.db2.gz RNYWZWRFQDJGOT-UHFFFAOYSA-N 1 0 244.338 2.110 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@H]1CC1(C)C ZINC000662347288 412119316 /nfs/dbraw/zinc/11/93/16/412119316.db2.gz ZNWNZGFOHLCUMM-NEPJUHHUSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000662380762 412134402 /nfs/dbraw/zinc/13/44/02/412134402.db2.gz KITKRJVKHBWODS-OPFPJEHXSA-N 1 0 248.370 2.060 20 30 BEEDRO C=CC[C@]1(C(=O)N(C)C2CCCC2)CCC[NH2+]1 ZINC000662458538 412181557 /nfs/dbraw/zinc/18/15/57/412181557.db2.gz XPRHJAWRMUBSHK-CQSZACIVSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@]1(C(=O)N(C)CCC(C)C)CCC[NH2+]1 ZINC000662479483 412189454 /nfs/dbraw/zinc/18/94/54/412189454.db2.gz JGWAFEWKJBFHOD-CQSZACIVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccc(F)cc2)CCC[NH2+]1 ZINC000662431422 412168738 /nfs/dbraw/zinc/16/87/38/412168738.db2.gz AHYDQCKITXCKIH-CQSZACIVSA-N 1 0 248.301 2.463 20 30 BEEDRO C=CC[C@@]1(C(=O)N(CC)CCCC)CCC[NH2+]1 ZINC000662436884 412173462 /nfs/dbraw/zinc/17/34/62/412173462.db2.gz GFGXIDRTTPHTJB-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)CCCC[NH3+] ZINC000662602797 412236624 /nfs/dbraw/zinc/23/66/24/412236624.db2.gz RPFBUZGOJCDDPZ-OLZOCXBDSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccsc2)CCC[NH2+]1 ZINC000662607600 412238370 /nfs/dbraw/zinc/23/83/70/412238370.db2.gz PTQVVGUATMEOBY-GFCCVEGCSA-N 1 0 236.340 2.385 20 30 BEEDRO C=CC[C@]1(C(=O)N2CCC3(CCC3)C2)CCC[NH2+]1 ZINC000662606614 412238938 /nfs/dbraw/zinc/23/89/38/412238938.db2.gz UAZRYWAYJODLSJ-OAHLLOKOSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@]1(CC=C)CCC[NH2+]1 ZINC000662616825 412243697 /nfs/dbraw/zinc/24/36/97/412243697.db2.gz PYYIEUDJUFIACF-CQSZACIVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@H](C)CC(C)C)CCC[NH2+]1 ZINC000662794048 412305375 /nfs/dbraw/zinc/30/53/75/412305375.db2.gz WSBRHRIXFAVGGK-TZMCWYRMSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC1(NC(=O)CC[NH2+]C2CC2)CCCC1 ZINC000662888361 412335690 /nfs/dbraw/zinc/33/56/90/412335690.db2.gz IVSDLJYXEGSXMC-UHFFFAOYSA-N 1 0 236.359 2.134 20 30 BEEDRO C=CCC1(NC(=O)CC2([NH3+])CCC2)CCCC1 ZINC000662888395 412336120 /nfs/dbraw/zinc/33/61/20/412336120.db2.gz JKNYULOTRKALKK-UHFFFAOYSA-N 1 0 236.359 2.263 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662925763 412347147 /nfs/dbraw/zinc/34/71/47/412347147.db2.gz LOHGRSNFWROCMT-NWDGAFQWSA-N 1 0 226.364 2.078 20 30 BEEDRO CCn1ccnc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000296339294 172224215 /nfs/dbraw/zinc/22/42/15/172224215.db2.gz HTCSFSRUUAHNBX-VXGBXAGGSA-N 1 0 232.331 2.075 20 30 BEEDRO C[NH+](C)C(C)(C)CNc1ccc(C#N)cc1 ZINC000044297427 172397803 /nfs/dbraw/zinc/39/78/03/172397803.db2.gz XSVTUVYRMWWOSV-UHFFFAOYSA-N 1 0 217.316 2.310 20 30 BEEDRO C[NH+](C)[C@@H]1CCCN(Cc2cccc(C#N)c2)C1 ZINC000068554627 172524784 /nfs/dbraw/zinc/52/47/84/172524784.db2.gz PYUVCGUVADDXIN-OAHLLOKOSA-N 1 0 243.354 2.084 20 30 BEEDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C#N)cc3)[C@@H]2C1 ZINC000272179431 173161076 /nfs/dbraw/zinc/16/10/76/173161076.db2.gz KAUOPOYFIDEQNI-DZGCQCFKSA-N 1 0 241.338 2.089 20 30 BEEDRO COC1CC[NH+](Cc2cccc(C#N)c2F)CC1 ZINC000223516052 174031058 /nfs/dbraw/zinc/03/10/58/174031058.db2.gz NXMLKWJGHWFGAQ-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO COCC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000336696964 174073706 /nfs/dbraw/zinc/07/37/06/174073706.db2.gz IVKMFDRYXLIKCS-UHFFFAOYSA-N 1 0 232.327 2.320 20 30 BEEDRO COCCC1(C[NH2+]Cc2cccc(C#N)c2)CC1 ZINC000151172061 174155487 /nfs/dbraw/zinc/15/54/87/174155487.db2.gz UGTSWHIEHSAZMR-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO COCC[N@H+](Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000362968123 174299988 /nfs/dbraw/zinc/29/99/88/174299988.db2.gz VVEFPGKNHSMQEM-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000045035951 174384295 /nfs/dbraw/zinc/38/42/95/174384295.db2.gz PZTBTPNBHQADLP-LLVKDONJSA-N 1 0 218.300 2.073 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000045656271 174443534 /nfs/dbraw/zinc/44/35/34/174443534.db2.gz VYUNUFOFOCCOSI-NWDGAFQWSA-N 1 0 232.327 2.491 20 30 BEEDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000341260146 174881431 /nfs/dbraw/zinc/88/14/31/174881431.db2.gz CEOUXIYOLAIYID-CABCVRRESA-N 1 0 244.338 2.463 20 30 BEEDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000341271719 174881621 /nfs/dbraw/zinc/88/16/21/174881621.db2.gz VVBLBAXYQNMSIK-CABCVRRESA-N 1 0 244.338 2.463 20 30 BEEDRO COc1cc(C[NH2+]C(C)(C)C)ccc1C#N ZINC000234827893 174982918 /nfs/dbraw/zinc/98/29/18/174982918.db2.gz YIEQNPZLPFXKGN-UHFFFAOYSA-N 1 0 218.300 2.455 20 30 BEEDRO COc1ccc(C[NH2+][C@@H](C)C2CC2)cc1C#N ZINC000087822958 175109422 /nfs/dbraw/zinc/10/94/22/175109422.db2.gz SRBOUBZJFDLDCN-JTQLQIEISA-N 1 0 230.311 2.455 20 30 BEEDRO COc1cccc2c1CC[N@H+](CCCC#N)C2 ZINC000182683019 175301234 /nfs/dbraw/zinc/30/12/34/175301234.db2.gz IAUDVJHIJVDODI-UHFFFAOYSA-N 1 0 230.311 2.357 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCN(c2cc(Cl)ccc2C#N)C1 ZINC000127389535 175811482 /nfs/dbraw/zinc/81/14/82/175811482.db2.gz JOISZPIGUQTYKT-MWLCHTKSSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccc(C#N)cc1 ZINC000037508471 175889100 /nfs/dbraw/zinc/88/91/00/175889100.db2.gz AKMPZUPEZBBLAJ-YPMHNXCESA-N 1 0 230.311 2.245 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C)(O)CC1 ZINC000177326962 176012761 /nfs/dbraw/zinc/01/27/61/176012761.db2.gz SUOHWNQPYWZLMW-LBPRGKRZSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CCCCO ZINC000264023383 176012889 /nfs/dbraw/zinc/01/28/89/176012889.db2.gz XGROXLQQEULLCC-LBPRGKRZSA-N 1 0 232.327 2.324 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC1(O)CCC1 ZINC000353485449 176013594 /nfs/dbraw/zinc/01/35/94/176013594.db2.gz TWHJCPFWCCWCQB-LBPRGKRZSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279916715 176013612 /nfs/dbraw/zinc/01/36/12/176013612.db2.gz WBFWGFAOQZWJFY-FZMZJTMJSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)N1CCC[N@H+](C)CC1 ZINC000297703014 176017261 /nfs/dbraw/zinc/01/72/61/176017261.db2.gz AWSURAFIASCCOI-ZDUSSCGKSA-N 1 0 243.354 2.257 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](O)C1 ZINC000189344776 176017348 /nfs/dbraw/zinc/01/73/48/176017348.db2.gz JCEILTRFZNLRPK-FZMZJTMJSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1CCNc1cccnc1C#N ZINC000290490996 176070923 /nfs/dbraw/zinc/07/09/23/176070923.db2.gz JGCBSPSJUZPUIL-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2ccc(C#N)nc2)C1 ZINC000267408383 176098026 /nfs/dbraw/zinc/09/80/26/176098026.db2.gz RBFPYHHYUWBJDR-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000157685498 176099665 /nfs/dbraw/zinc/09/96/65/176099665.db2.gz XRBCIKQFBKIEQG-SNVBAGLBSA-N 1 0 204.273 2.383 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000335913720 176132123 /nfs/dbraw/zinc/13/21/23/176132123.db2.gz GCKSKLPTCOQZEW-SCZZXKLOSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000328221007 176134851 /nfs/dbraw/zinc/13/48/51/176134851.db2.gz ZYODIXQJRXBTIT-IUODEOHRSA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000135485029 176150547 /nfs/dbraw/zinc/15/05/47/176150547.db2.gz JMURRVSNTMFBNY-BXKDBHETSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1 ZINC000040718212 176170044 /nfs/dbraw/zinc/17/00/44/176170044.db2.gz WZBQBCXBAAPHDR-GFCCVEGCSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccc(C#N)o2)C1 ZINC000356373503 176207237 /nfs/dbraw/zinc/20/72/37/176207237.db2.gz VXZQHPCXDJMFTC-VXGBXAGGSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000335552886 176217185 /nfs/dbraw/zinc/21/71/85/176217185.db2.gz TUMWJPJBACCKNF-MFKMUULPSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335552833 176217243 /nfs/dbraw/zinc/21/72/43/176217243.db2.gz DZOCKMDKTUWVQI-MFKMUULPSA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1C[N@H+](CCOc2ccc(C#N)cc2)[C@@H]1C ZINC000293039011 176292627 /nfs/dbraw/zinc/29/26/27/176292627.db2.gz QNCPWCRMIBXBIW-VXGBXAGGSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@H]1C[N@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000219678428 176297878 /nfs/dbraw/zinc/29/78/78/176297878.db2.gz MSKNAKUBQSWEFO-TYNCELHUSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@@H]1C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C ZINC000252642250 176298038 /nfs/dbraw/zinc/29/80/38/176298038.db2.gz MSKNAKUBQSWEFO-LALPHHSUSA-N 1 0 244.338 2.179 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190864657 176316872 /nfs/dbraw/zinc/31/68/72/176316872.db2.gz UNTRPZGYDKLXMH-JMSVASOKSA-N 1 0 244.338 2.179 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000178313584 487633425 /nfs/dbraw/zinc/63/34/25/487633425.db2.gz XOSQWACBHLHUFW-VEGXAWMVSA-N 1 0 209.333 2.497 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000277690319 176344723 /nfs/dbraw/zinc/34/47/23/176344723.db2.gz HIIUQMXHBMUZLN-BXUZGUMPSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000302029320 176345153 /nfs/dbraw/zinc/34/51/53/176345153.db2.gz WJMAYUYETGGKTL-ZWNOBZJWSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000286194448 176353240 /nfs/dbraw/zinc/35/32/40/176353240.db2.gz XQERRUOUQJPYNB-MFKMUULPSA-N 1 0 232.352 2.399 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000216210956 176368564 /nfs/dbraw/zinc/36/85/64/176368564.db2.gz KIEPNRJENALMIN-ZJUUUORDSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@@]1(CNc2ccc(F)cc2C#N)CCC[NH2+]C1 ZINC000129385169 176533086 /nfs/dbraw/zinc/53/30/86/176533086.db2.gz VOPKRHGMCHVKPS-CQSZACIVSA-N 1 0 247.317 2.499 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000037738978 176862419 /nfs/dbraw/zinc/86/24/19/176862419.db2.gz AHPYGYUWEFLEDC-AAEUAGOBSA-N 1 0 230.311 2.245 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@H]1CCOC1 ZINC000135501919 176874373 /nfs/dbraw/zinc/87/43/73/176874373.db2.gz FFTXYLQHJFJXNF-UWVGGRQHSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000152891800 177001785 /nfs/dbraw/zinc/00/17/85/177001785.db2.gz HHUZGZKZHIJMOG-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)N1CCC[N@H+](C)CC1 ZINC000297856745 177032511 /nfs/dbraw/zinc/03/25/11/177032511.db2.gz LPPAJDYLQWPOKW-CYBMUJFWSA-N 1 0 243.354 2.257 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(CO)CC1 ZINC000265482605 177032702 /nfs/dbraw/zinc/03/27/02/177032702.db2.gz MARFHVUCVXWCTI-GFCCVEGCSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](CO)C1 ZINC000189340923 177035285 /nfs/dbraw/zinc/03/52/85/177035285.db2.gz BYYLMYJQSYXPFP-OCCSQVGLSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286721552 177035523 /nfs/dbraw/zinc/03/55/23/177035523.db2.gz XHDJXESTYQFVOK-KCPJHIHWSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C)(O)CC1 ZINC000187693287 177035705 /nfs/dbraw/zinc/03/57/05/177035705.db2.gz FNSMQGPIVMYVRC-GFCCVEGCSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@@H]1C[NH3+] ZINC000070175446 177099122 /nfs/dbraw/zinc/09/91/22/177099122.db2.gz WXOJJJZGDYXRQW-SWLSCSKDSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1Cc1ccc(C#N)cc1 ZINC000334458195 177262542 /nfs/dbraw/zinc/26/25/42/177262542.db2.gz QSHOIDQFBIGWSY-QWHCGFSZSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@H]1C ZINC000293540367 177262634 /nfs/dbraw/zinc/26/26/34/177262634.db2.gz XXKYPJFMTJZXIB-QWRGUYRKSA-N 1 0 200.285 2.398 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000300863306 177295352 /nfs/dbraw/zinc/29/53/52/177295352.db2.gz OBNMOULUIZOFIS-CABZTGNLSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000277458505 177297423 /nfs/dbraw/zinc/29/74/23/177297423.db2.gz MKPVFMCEEBZGFX-IINYFYTJSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1CSCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190844901 177303846 /nfs/dbraw/zinc/30/38/46/177303846.db2.gz CLCVQCGQBQWDKG-SNVBAGLBSA-N 1 0 236.340 2.336 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000336227062 177307187 /nfs/dbraw/zinc/30/71/87/177307187.db2.gz DJDXZQVVURTDOV-GZMMTYOYSA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@H]1C[C@@H](C[NH3+])CN1c1cc(Cl)ccc1C#N ZINC000216211883 177324526 /nfs/dbraw/zinc/32/45/26/177324526.db2.gz QYQURWJOORQIBZ-UWVGGRQHSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000273098817 177361053 /nfs/dbraw/zinc/36/10/53/177361053.db2.gz VGFUEQZZKHZCKA-NWDGAFQWSA-N 1 0 248.326 2.446 20 30 BEEDRO Cc1ccc(NCC(C)(C)[NH+](C)C)nc1C#N ZINC000302700587 224797006 /nfs/dbraw/zinc/79/70/06/224797006.db2.gz IEUIMYVCSBFLSJ-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000494222401 226262433 /nfs/dbraw/zinc/26/24/33/226262433.db2.gz FVQWKJMUGHOHLE-IUODEOHRSA-N 1 0 247.313 2.334 20 30 BEEDRO CC#CCCCc1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000414616419 487651262 /nfs/dbraw/zinc/65/12/62/487651262.db2.gz KCBMGAUGEGRMNM-NSHDSACASA-N 1 0 235.331 2.462 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000680882621 487663109 /nfs/dbraw/zinc/66/31/09/487663109.db2.gz KROVGAOJIDYFCA-CQSZACIVSA-N 1 0 243.354 2.378 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(Cl)cnn1C ZINC000394641694 262742806 /nfs/dbraw/zinc/74/28/06/262742806.db2.gz NWTYSPXKCNYUAO-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1F ZINC000404092341 229368376 /nfs/dbraw/zinc/36/83/76/229368376.db2.gz ALXCHHVSKUOZCX-LLVKDONJSA-N 1 0 248.301 2.214 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404144393 229376065 /nfs/dbraw/zinc/37/60/65/229376065.db2.gz NPKWKKQMARLGQB-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2(O)CCC2)cc1F ZINC000404147554 229376148 /nfs/dbraw/zinc/37/61/48/229376148.db2.gz KCVUFJURLMHHGF-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000675251131 487684306 /nfs/dbraw/zinc/68/43/06/487684306.db2.gz DQMQZYBZWBSOCH-ZDUSSCGKSA-N 1 0 219.332 2.442 20 30 BEEDRO C=CCSCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000395090422 262764111 /nfs/dbraw/zinc/76/41/11/262764111.db2.gz UKRYXMVGAVRFLH-NEPJUHHUSA-N 1 0 228.405 2.026 20 30 BEEDRO N#CCc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC000399139658 262776888 /nfs/dbraw/zinc/77/68/88/262776888.db2.gz UIJOHWRVXAMVBZ-OAHLLOKOSA-N 1 0 244.338 2.269 20 30 BEEDRO C[C@@H]([NH2+]CCC1(CO)CC1)c1cccc(C#N)c1 ZINC000395938709 262794851 /nfs/dbraw/zinc/79/48/51/262794851.db2.gz OMKSDCAUDHNGEX-GFCCVEGCSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CC[NH2+][C@H](c1ccc(OC)nc1)C1CC1 ZINC000528846004 262977374 /nfs/dbraw/zinc/97/73/74/262977374.db2.gz HEVULNNYFLCNTL-ZDUSSCGKSA-N 1 0 218.300 2.317 20 30 BEEDRO CCC#C[C@H](C)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000671722426 487708259 /nfs/dbraw/zinc/70/82/59/487708259.db2.gz SVHCJSUAHTWCGG-SOUVJXGZSA-N 1 0 234.387 2.347 20 30 BEEDRO CCC#C[C@H](C)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000671722427 487708585 /nfs/dbraw/zinc/70/85/85/487708585.db2.gz SVHCJSUAHTWCGG-ZNMIVQPWSA-N 1 0 234.387 2.347 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CCC2)CC1 ZINC000671729901 487712223 /nfs/dbraw/zinc/71/22/23/487712223.db2.gz UIWWVBKPUADQIE-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000226356920 487716143 /nfs/dbraw/zinc/71/61/43/487716143.db2.gz YODFUTMMPCATNF-GMXVVIOVSA-N 1 0 232.327 2.013 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)c(F)c1)C1CC1 ZINC000404162652 266747412 /nfs/dbraw/zinc/74/74/12/266747412.db2.gz QZZKWSFXYNUEGC-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2CC=CC2)cc1 ZINC000530237669 268263667 /nfs/dbraw/zinc/26/36/67/268263667.db2.gz XCZYWEDHINWCOW-HNNXBMFYSA-N 1 0 242.322 2.147 20 30 BEEDRO C=CC[N@@H+](CCC(=O)NCCCC)C(C)C ZINC000734834876 584968977 /nfs/dbraw/zinc/96/89/77/584968977.db2.gz BHDQPYYLAXIJFV-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCCn1cncn1 ZINC000679033903 487733321 /nfs/dbraw/zinc/73/33/21/487733321.db2.gz PPLPKRQJKRZKCZ-ZDUSSCGKSA-N 1 0 236.363 2.393 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684202618 487790312 /nfs/dbraw/zinc/79/03/12/487790312.db2.gz WEIVWXOLJBVXJI-STQMWFEESA-N 1 0 248.374 2.259 20 30 BEEDRO C=CCCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631123827 487793163 /nfs/dbraw/zinc/79/31/63/487793163.db2.gz MJKJSXHVKSQDPC-UHFFFAOYSA-N 1 0 233.359 2.355 20 30 BEEDRO CCC#C[C@H](C)[N@H+]1CC=C(COC)CC1 ZINC000681472392 487800696 /nfs/dbraw/zinc/80/06/96/487800696.db2.gz UGSUQZDSJUCYGT-LBPRGKRZSA-N 1 0 207.317 2.067 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCn2cnnc2CC)C1 ZINC000651724320 487822176 /nfs/dbraw/zinc/82/21/76/487822176.db2.gz RFGRCHICQGQAAG-OLZOCXBDSA-N 1 0 248.374 2.175 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)O)C1 ZINC000651766830 487825936 /nfs/dbraw/zinc/82/59/36/487825936.db2.gz VSEWPVRVJXHOHJ-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(CC)C[N@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000494486941 526853252 /nfs/dbraw/zinc/85/32/52/526853252.db2.gz RUJUOFDJTULOMH-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1CC1(Cl)Cl ZINC000792407837 586000334 /nfs/dbraw/zinc/00/03/34/586000334.db2.gz YIGMSUKKPOGPRS-VIFPVBQESA-N 1 0 238.158 2.315 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832336991 587654902 /nfs/dbraw/zinc/65/49/02/587654902.db2.gz DQKRMSSXLSACFU-LLVKDONJSA-N 1 0 215.724 2.241 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000852103295 588663385 /nfs/dbraw/zinc/66/33/85/588663385.db2.gz CXXBYTMPVVAEST-RWMBFGLXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](OC)C1CCC1 ZINC000852104883 588663574 /nfs/dbraw/zinc/66/35/74/588663574.db2.gz PAOIJAFHTNCGRW-QWHCGFSZSA-N 1 0 209.333 2.193 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)C(C)C ZINC000876623125 590222824 /nfs/dbraw/zinc/22/28/24/590222824.db2.gz VNIAZKMAXRYICG-SECBINFHSA-N 1 0 232.755 2.007 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CCCO1 ZINC000876890285 590254158 /nfs/dbraw/zinc/25/41/58/590254158.db2.gz ZXWNXDLVHOCBJE-ZDUSSCGKSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@H](C)C(=O)OC ZINC000877491403 590340262 /nfs/dbraw/zinc/34/02/62/590340262.db2.gz RQNBWMRFPICDSZ-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C#CCCCCCC[NH2+]C1([C@H](C)O)CC1 ZINC000877637636 590381711 /nfs/dbraw/zinc/38/17/11/590381711.db2.gz KCVUMGLWQJHVNY-LBPRGKRZSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC000877649701 590384680 /nfs/dbraw/zinc/38/46/80/590384680.db2.gz FHIWVCHLVXBTPL-QWHCGFSZSA-N 1 0 204.317 2.271 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000677048504 487847797 /nfs/dbraw/zinc/84/77/97/487847797.db2.gz ZMCMFMWRJRQPMV-HUUCEWRRSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C(Cl)C[N@H+](C)CCC1CCOCC1 ZINC000131368090 591604025 /nfs/dbraw/zinc/60/40/25/591604025.db2.gz CQFBNPBMNMRQHM-UHFFFAOYSA-N 1 0 217.740 2.487 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CCC)CCC ZINC000911916608 639876490 /nfs/dbraw/zinc/87/64/90/639876490.db2.gz CJDIJROMBBSLDR-GFCCVEGCSA-N 1 0 226.364 2.319 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnnn1-c1ccccc1 ZINC000676549023 487871322 /nfs/dbraw/zinc/87/13/22/487871322.db2.gz RPOPADDMVDCTNV-UHFFFAOYSA-N 1 0 242.326 2.275 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC(=C)C)C1 ZINC001331992817 974912308 /nfs/dbraw/zinc/91/23/08/974912308.db2.gz UNGLXXDHDHDATA-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000677132665 487888829 /nfs/dbraw/zinc/88/88/29/487888829.db2.gz MALTYDIWZXSSLJ-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000682041270 487888569 /nfs/dbraw/zinc/88/85/69/487888569.db2.gz XXMLNOWBMGWDJG-NSHDSACASA-N 1 0 249.276 2.443 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000682042124 487889065 /nfs/dbraw/zinc/88/90/65/487889065.db2.gz OQVBDEOQFVUOEV-CHWSQXEVSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)C(C)(C)c1ccccc1 ZINC000671246626 487891448 /nfs/dbraw/zinc/89/14/48/487891448.db2.gz MNEFYAOAGVTHGG-UHFFFAOYSA-N 1 0 246.354 2.156 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccco1 ZINC000652259055 487895927 /nfs/dbraw/zinc/89/59/27/487895927.db2.gz DWRXVUIHXKFEJE-GRYCIOLGSA-N 1 0 248.326 2.140 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671253761 487909025 /nfs/dbraw/zinc/90/90/25/487909025.db2.gz IINMCMCMMWROPZ-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671253762 487910158 /nfs/dbraw/zinc/91/01/58/487910158.db2.gz IINMCMCMMWROPZ-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2C[C@@H]2C)CCOCC1 ZINC000668551708 487921891 /nfs/dbraw/zinc/92/18/91/487921891.db2.gz UVGGNRIZOGTUKO-NWDGAFQWSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2C[C@H]2C)CCOCC1 ZINC000668551707 487922008 /nfs/dbraw/zinc/92/20/08/487922008.db2.gz UVGGNRIZOGTUKO-NEPJUHHUSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2C[C@@H]2C)CCOCC1 ZINC000668551709 487922086 /nfs/dbraw/zinc/92/20/86/487922086.db2.gz UVGGNRIZOGTUKO-RYUDHWBXSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC1([NH2+][C@H]2COC(C)(C)C2)CCOCC1 ZINC000668551874 487922096 /nfs/dbraw/zinc/92/20/96/487922096.db2.gz ZCWQJXXLIVKZGI-GFCCVEGCSA-N 1 0 239.359 2.269 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000682220379 487928589 /nfs/dbraw/zinc/92/85/89/487928589.db2.gz DHQHBXZWAULINQ-RWMBFGLXSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CCCC(C)(C)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000659556375 487939205 /nfs/dbraw/zinc/93/92/05/487939205.db2.gz RYKYITPWQKLUBM-WDEREUQCSA-N 1 0 241.379 2.156 20 30 BEEDRO C=CCCCC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188754056 487949066 /nfs/dbraw/zinc/94/90/66/487949066.db2.gz IFEIKGSUTOMCHZ-UHFFFAOYSA-N 1 0 244.338 2.262 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677040205 487956428 /nfs/dbraw/zinc/95/64/28/487956428.db2.gz BILPMSAUVUMQBD-OLZOCXBDSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc(C#N)c1 ZINC000125780222 323001764 /nfs/dbraw/zinc/00/17/64/323001764.db2.gz LYMDZISTUXMPTR-UHFFFAOYSA-N 1 0 230.311 2.241 20 30 BEEDRO CC#CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000561910272 323008508 /nfs/dbraw/zinc/00/85/08/323008508.db2.gz QTOXBAFJXCXBSH-CABCVRRESA-N 1 0 245.366 2.496 20 30 BEEDRO CC#CCN(C)C1(C(=O)OCC)CCCCC1 ZINC000151261437 323014637 /nfs/dbraw/zinc/01/46/37/323014637.db2.gz ZUFDLTHZUXENQT-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000562345010 323017390 /nfs/dbraw/zinc/01/73/90/323017390.db2.gz RWRCGKUUXHFWSK-QWHCGFSZSA-N 1 0 247.342 2.121 20 30 BEEDRO Cc1nc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)o1 ZINC000562462737 323020760 /nfs/dbraw/zinc/02/07/60/323020760.db2.gz SANLHRRSSPLLOX-VXGBXAGGSA-N 1 0 233.315 2.116 20 30 BEEDRO C=CCCCC[N@@H+](C)CCc1noc(C)n1 ZINC000562532220 323023000 /nfs/dbraw/zinc/02/30/00/323023000.db2.gz HNERGQQJDCTCEF-UHFFFAOYSA-N 1 0 223.320 2.209 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CC1 ZINC000569697847 323037415 /nfs/dbraw/zinc/03/74/15/323037415.db2.gz XZHAZGJIYPBJSS-DGCLKSJQSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000570478554 323060650 /nfs/dbraw/zinc/06/06/50/323060650.db2.gz UUOKANVBBVZCAM-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C[C@H](C[NH2+]CCC#N)N(C)c1ccccc1 ZINC000562985798 323077975 /nfs/dbraw/zinc/07/79/75/323077975.db2.gz SYKPGBHAKAANFM-GFCCVEGCSA-N 1 0 217.316 2.015 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000563011630 323079825 /nfs/dbraw/zinc/07/98/25/323079825.db2.gz OTNLYCRGPIAKOG-KGLIPLIRSA-N 1 0 230.311 2.410 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCCN(C)CC1 ZINC000563203150 323101654 /nfs/dbraw/zinc/10/16/54/323101654.db2.gz BHSMWYCDCPVQAD-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CC[N@H+]1CC[C@H](c2cc(C)ccn2)C1 ZINC000570980969 323102602 /nfs/dbraw/zinc/10/26/02/323102602.db2.gz ABRCOTLVMUVYGQ-LBPRGKRZSA-N 1 0 202.301 2.365 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC000563216173 323103200 /nfs/dbraw/zinc/10/32/00/323103200.db2.gz CEFUNPQZPVVTGO-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1ccccn1 ZINC000320264362 323104632 /nfs/dbraw/zinc/10/46/32/323104632.db2.gz KFIUFIHYWOXUHM-NWDGAFQWSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000320279274 323105249 /nfs/dbraw/zinc/10/52/49/323105249.db2.gz NLOXIKPOFWPYIP-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=C(C)C[N@@H+](C)CCC(C)(C)C(=O)OC ZINC000338564682 323105435 /nfs/dbraw/zinc/10/54/35/323105435.db2.gz SOVURIHTABGGKF-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(C#N)cn1 ZINC000563349788 323120174 /nfs/dbraw/zinc/12/01/74/323120174.db2.gz IPZMSURPEROZBJ-GHMZBOCLSA-N 1 0 215.300 2.326 20 30 BEEDRO CC[C@@H](CC#N)NCC[NH+]1CCC(C)CC1 ZINC000563366348 323121465 /nfs/dbraw/zinc/12/14/65/323121465.db2.gz HRPAEAPPKMLHFJ-ZDUSSCGKSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cnccn1 ZINC000571154879 323136819 /nfs/dbraw/zinc/13/68/19/323136819.db2.gz DQTRKKCRUOAKEB-UHFFFAOYSA-N 1 0 205.305 2.265 20 30 BEEDRO CCCC[N@@H+]1CCCC[C@@H]1CNCCC#N ZINC000571157760 323136951 /nfs/dbraw/zinc/13/69/51/323136951.db2.gz HMICUNXBKDEPIL-CYBMUJFWSA-N 1 0 223.364 2.144 20 30 BEEDRO CCCC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000571262648 323139427 /nfs/dbraw/zinc/13/94/27/323139427.db2.gz KFBKCHGOYITIOG-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO C[N@H+](Cc1cc(F)ccc1C#N)C1CCOCC1 ZINC000229959869 323160213 /nfs/dbraw/zinc/16/02/13/323160213.db2.gz NEOHNKLSQMAMBR-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000563732861 323176601 /nfs/dbraw/zinc/17/66/01/323176601.db2.gz NFJYHEIBLKEAIM-CYBMUJFWSA-N 1 0 238.375 2.381 20 30 BEEDRO CC(C)(C)OCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308983791 323183460 /nfs/dbraw/zinc/18/34/60/323183460.db2.gz JBXLNQKUURCEMW-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]1C[C@@H](CO)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000398655602 323188546 /nfs/dbraw/zinc/18/85/46/323188546.db2.gz MMCPBSVWWRRLIY-CHWSQXEVSA-N 1 0 238.375 2.267 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000352420196 323233170 /nfs/dbraw/zinc/23/31/70/323233170.db2.gz ABRSHGWIQCLMKY-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](C(=O)OC)[C@H](C)C1 ZINC000352420198 323233200 /nfs/dbraw/zinc/23/32/00/323233200.db2.gz ABRSHGWIQCLMKY-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCC12CC2 ZINC000514616216 323326712 /nfs/dbraw/zinc/32/67/12/323326712.db2.gz MSMSBQANQRWMJC-RYUDHWBXSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](CO)c1ccccc1C ZINC000309239807 323333484 /nfs/dbraw/zinc/33/34/84/323333484.db2.gz YDTXUVBEQNPPLJ-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO CC#CCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000309402298 323380608 /nfs/dbraw/zinc/38/06/08/323380608.db2.gz WKZBGQFARPQCEC-UHFFFAOYSA-N 1 0 221.344 2.481 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000677048492 487958845 /nfs/dbraw/zinc/95/88/45/487958845.db2.gz YXTKHSFAHMAMRE-YPMHNXCESA-N 1 0 247.342 2.359 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](OCC)C1 ZINC000677048142 487958742 /nfs/dbraw/zinc/95/87/42/487958742.db2.gz NVFJFUUCNJSHAW-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000572276016 323584486 /nfs/dbraw/zinc/58/44/86/323584486.db2.gz QFVAGSMNBDLMOR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CC12CC2 ZINC000527906259 323715948 /nfs/dbraw/zinc/71/59/48/323715948.db2.gz WEQRUYCUQAQIEG-XQHKEYJVSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000121162297 324004861 /nfs/dbraw/zinc/00/48/61/324004861.db2.gz GPZIWPCYHWDDND-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](C)CCCOCC(F)(F)F ZINC000121248022 324006543 /nfs/dbraw/zinc/00/65/43/324006543.db2.gz BYOVNLMTFZSMDY-UHFFFAOYSA-N 1 0 211.227 2.073 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N1CCCC[C@H]1CC ZINC000121376130 324010209 /nfs/dbraw/zinc/01/02/09/324010209.db2.gz RTRPZKUBZKTDJP-QWHCGFSZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000121587404 324017125 /nfs/dbraw/zinc/01/71/25/324017125.db2.gz GSLRAUYOESCBQL-FRRDWIJNSA-N 1 0 238.375 2.282 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000123202397 324098696 /nfs/dbraw/zinc/09/86/96/324098696.db2.gz CAKQNRSGFREDEO-SECBINFHSA-N 1 0 235.283 2.088 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000073598171 324114535 /nfs/dbraw/zinc/11/45/35/324114535.db2.gz GQGIJAOUKANESP-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000126329053 324693602 /nfs/dbraw/zinc/69/36/02/324693602.db2.gz AUJAQEPLCOITSD-RYUDHWBXSA-N 1 0 247.404 2.144 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000540155571 324889023 /nfs/dbraw/zinc/88/90/23/324889023.db2.gz FNBGFRSPCWFMEY-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C[C@H](C#N)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000541764267 324979063 /nfs/dbraw/zinc/97/90/63/324979063.db2.gz YMQWPMJJZHKHRO-SNVBAGLBSA-N 1 0 246.339 2.183 20 30 BEEDRO COC[C@@H]([NH2+]CC#Cc1ccc(F)cc1)C(C)C ZINC000542525723 325034176 /nfs/dbraw/zinc/03/41/76/325034176.db2.gz KQWAAGYGFVPEBK-OAHLLOKOSA-N 1 0 249.329 2.438 20 30 BEEDRO COc1ccccc1[C@@H](CO)[NH2+]CCCCC#N ZINC000542910212 325062441 /nfs/dbraw/zinc/06/24/41/325062441.db2.gz QDMNLXGJJGDLRA-CYBMUJFWSA-N 1 0 248.326 2.012 20 30 BEEDRO C=CC[NH2+][C@H](C)c1nc2c(s1)CCC2 ZINC000130727054 325082330 /nfs/dbraw/zinc/08/23/30/325082330.db2.gz MHSVCFFGSQEHTD-MRVPVSSYSA-N 1 0 208.330 2.468 20 30 BEEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H](C)C#N)n1 ZINC000543623780 325098946 /nfs/dbraw/zinc/09/89/46/325098946.db2.gz LBVJIGNMAQPFTM-NWDGAFQWSA-N 1 0 234.347 2.144 20 30 BEEDRO Cc1ccccc1[C@@H](CO)[NH2+]CCCCC#N ZINC000543840522 325116513 /nfs/dbraw/zinc/11/65/13/325116513.db2.gz UZXDNYYGGAZKQP-CQSZACIVSA-N 1 0 232.327 2.312 20 30 BEEDRO C=CCC[NH+]1CCN(Cc2cccs2)CC1 ZINC000132377081 325213219 /nfs/dbraw/zinc/21/32/19/325213219.db2.gz FPEODJYABDSHER-UHFFFAOYSA-N 1 0 236.384 2.442 20 30 BEEDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C#N)c1F ZINC000545397128 325219315 /nfs/dbraw/zinc/21/93/15/325219315.db2.gz HIXYTQVCLYXBBL-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545931418 325248308 /nfs/dbraw/zinc/24/83/08/325248308.db2.gz PNBZGIYBRATCPZ-JTQLQIEISA-N 1 0 237.265 2.198 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccccc1C#N ZINC000076495510 325346943 /nfs/dbraw/zinc/34/69/43/325346943.db2.gz SBWSBUJMTGUANZ-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000134912025 325382616 /nfs/dbraw/zinc/38/26/16/325382616.db2.gz KKRLAYKYKIROMI-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(O)CSC ZINC000134923405 325382944 /nfs/dbraw/zinc/38/29/44/325382944.db2.gz OQQVOFBXUPFELM-WDEREUQCSA-N 1 0 217.378 2.045 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000135006419 325388114 /nfs/dbraw/zinc/38/81/14/325388114.db2.gz GJGNQZHSPBOQEQ-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOc2ccccc2)o1 ZINC000135127752 325396492 /nfs/dbraw/zinc/39/64/92/325396492.db2.gz KJMUSIXMCLWPJA-UHFFFAOYSA-N 1 0 242.278 2.320 20 30 BEEDRO C=CCOCCC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000548751683 325477522 /nfs/dbraw/zinc/47/75/22/325477522.db2.gz WDASDPSLFPFELU-VXGBXAGGSA-N 1 0 229.389 2.405 20 30 BEEDRO CCn1nccc1CC[NH+]1CCC(CC#N)CC1 ZINC000549067498 325496163 /nfs/dbraw/zinc/49/61/63/325496163.db2.gz NMZQLPSRYPPVPZ-UHFFFAOYSA-N 1 0 246.358 2.071 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000248961315 325629760 /nfs/dbraw/zinc/62/97/60/325629760.db2.gz BDMWHQOUVOGUTL-ZDEQEGDKSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000249045399 325634291 /nfs/dbraw/zinc/63/42/91/325634291.db2.gz HHSAPSUPPRZSOD-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO CCn1ccnc1C[NH2+]CC1CCC(C#N)CC1 ZINC000555935374 325773487 /nfs/dbraw/zinc/77/34/87/325773487.db2.gz CLSPTYLVKAVAPF-UHFFFAOYSA-N 1 0 246.358 2.323 20 30 BEEDRO C=CCCC[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000564793804 325809455 /nfs/dbraw/zinc/80/94/55/325809455.db2.gz VXPKQOBXVGULOX-UHFFFAOYSA-N 1 0 247.342 2.274 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000564806803 325810762 /nfs/dbraw/zinc/81/07/62/325810762.db2.gz CUTLEJYGKZHYMF-AVGNSLFASA-N 1 0 238.375 2.032 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CC[NH3+] ZINC000565152174 325863217 /nfs/dbraw/zinc/86/32/17/325863217.db2.gz XFHOXVCTZZPAPH-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660403025 487971165 /nfs/dbraw/zinc/97/11/65/487971165.db2.gz NCSWIIBIZKSFTN-CLLJXQQHSA-N 1 0 209.333 2.167 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000566178040 326006665 /nfs/dbraw/zinc/00/66/65/326006665.db2.gz VLYKIHKGXRIRQH-CQSZACIVSA-N 1 0 214.312 2.284 20 30 BEEDRO N#CCc1ccc(C[NH2+]C2CCC(O)CC2)cc1 ZINC000566222396 326017983 /nfs/dbraw/zinc/01/79/83/326017983.db2.gz XBQDFWFBVAHSJI-UHFFFAOYSA-N 1 0 244.338 2.146 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](C[NH3+])CCCC ZINC000566403905 326039512 /nfs/dbraw/zinc/03/95/12/326039512.db2.gz OTCPQOCULGZTND-NEPJUHHUSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000566408138 326040449 /nfs/dbraw/zinc/04/04/49/326040449.db2.gz SSCLLDSVNDINBE-MROQNXINSA-N 1 0 238.375 2.091 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)nc1 ZINC000566416115 326042553 /nfs/dbraw/zinc/04/25/53/326042553.db2.gz IKLBQAULFIHSJJ-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000566558906 326063911 /nfs/dbraw/zinc/06/39/11/326063911.db2.gz ONNGRAUWVXMKEE-KBPBESRZSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000566719338 326076379 /nfs/dbraw/zinc/07/63/79/326076379.db2.gz XFTBFIUZWYUITI-CYBMUJFWSA-N 1 0 238.375 2.320 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+](CC)CC(CC)CC ZINC000153866728 326116475 /nfs/dbraw/zinc/11/64/75/326116475.db2.gz WOEDLCQMMFPLOH-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO CC[C@H]1C[C@@H](C[NH2+]CC2(C#N)CC2)CCO1 ZINC000309704191 326165456 /nfs/dbraw/zinc/16/54/56/326165456.db2.gz NSVNWOVULNMTNP-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C#CC[N@H+](Cc1ccncc1)C1CCCC1 ZINC000154955256 326174905 /nfs/dbraw/zinc/17/49/05/326174905.db2.gz QCKOFNYWCKFWIL-UHFFFAOYSA-N 1 0 214.312 2.459 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000568152560 326313882 /nfs/dbraw/zinc/31/38/82/326313882.db2.gz ADYUPFPHEFQWGP-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000568776476 326377135 /nfs/dbraw/zinc/37/71/35/326377135.db2.gz KFBHUGYCEMHELK-RWMBFGLXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C[C@H](CC(=O)NCCCC[NH3+])c1ccccc1 ZINC000568869281 326380373 /nfs/dbraw/zinc/38/03/73/326380373.db2.gz UYATYDVYXCPQSP-CYBMUJFWSA-N 1 0 246.354 2.201 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOc1ccccc1OC ZINC000568899397 326381992 /nfs/dbraw/zinc/38/19/92/326381992.db2.gz PVEPAFHWJLLKGG-LBPRGKRZSA-N 1 0 248.326 2.356 20 30 BEEDRO C=CCCCC[NH+]1CCN(C2CC2)CC1 ZINC000569070556 326387997 /nfs/dbraw/zinc/38/79/97/326387997.db2.gz ZVJLMLNKKMDEEX-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO CC(C)C[C@@H]1C[C@@H]([NH2+]CCC#N)CCO1 ZINC000569096500 326389534 /nfs/dbraw/zinc/38/95/34/326389534.db2.gz DHMGVSODTRUCIE-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCn1cc(C[NH2+]C(C2CC2)C2CC2)nn1 ZINC000653613497 487984581 /nfs/dbraw/zinc/98/45/81/487984581.db2.gz NJEKQFXARABGBK-UHFFFAOYSA-N 1 0 246.358 2.132 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602722994 487998272 /nfs/dbraw/zinc/99/82/72/487998272.db2.gz KATLAMZDGZQTHV-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@@H+](C[C@@H](C)OC)C1CCCCC1 ZINC000490933723 488026707 /nfs/dbraw/zinc/02/67/07/488026707.db2.gz GKRIYHGCFULSSK-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](CC(C)C)OC ZINC000491526280 488034509 /nfs/dbraw/zinc/03/45/09/488034509.db2.gz YVEUMGWGNVJMEE-GFCCVEGCSA-N 1 0 211.349 2.391 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C ZINC000682777274 488037556 /nfs/dbraw/zinc/03/75/56/488037556.db2.gz JHOHVTBKRPDCMG-UPJWGTAASA-N 1 0 209.333 2.003 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1ccccc1OC ZINC000677476848 488044449 /nfs/dbraw/zinc/04/44/49/488044449.db2.gz HSNUIUWTCYFSCO-CYBMUJFWSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CC[N@H+](CC#CCOC)CCc1ccccc1 ZINC000677477889 488046987 /nfs/dbraw/zinc/04/69/87/488046987.db2.gz COGSOUWPMOPRON-UHFFFAOYSA-N 1 0 243.350 2.367 20 30 BEEDRO CC(C)C([NH2+]CCOCCC#N)C(C)C ZINC000382346968 488048910 /nfs/dbraw/zinc/04/89/10/488048910.db2.gz FMYYBOKILUPREC-UHFFFAOYSA-N 1 0 212.337 2.187 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](O)C(C)C)CCCC1 ZINC000661850315 488062673 /nfs/dbraw/zinc/06/26/73/488062673.db2.gz HCGSAHBQFGZTEV-GFCCVEGCSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C[NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1 ZINC000236549922 488071877 /nfs/dbraw/zinc/07/18/77/488071877.db2.gz MAFAFTKQUPIXTB-LLVKDONJSA-N 1 0 245.244 2.213 20 30 BEEDRO SCC[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC001172708753 974925441 /nfs/dbraw/zinc/92/54/41/974925441.db2.gz MOALELWMZXQIHY-NSHDSACASA-N 1 0 227.760 2.327 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1([NH3+])CCCC1 ZINC000237043781 488102278 /nfs/dbraw/zinc/10/22/78/488102278.db2.gz JCQQBRHZWYARML-UHFFFAOYSA-N 1 0 238.375 2.463 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000677477202 488102797 /nfs/dbraw/zinc/10/27/97/488102797.db2.gz ACQSLOGCSZEHAL-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[N@@H+](CCOC)[C@H](C)c1ccncc1 ZINC000683041520 488103330 /nfs/dbraw/zinc/10/33/30/488103330.db2.gz ZRMKWJGTWUFWPN-GFCCVEGCSA-N 1 0 220.316 2.277 20 30 BEEDRO COCC1([N@H+](C)CC#Cc2ccc(F)cc2)CC1 ZINC000677729174 488106021 /nfs/dbraw/zinc/10/60/21/488106021.db2.gz ZRGCEIVRQKGCQO-UHFFFAOYSA-N 1 0 247.313 2.288 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000680107143 487536808 /nfs/dbraw/zinc/53/68/08/487536808.db2.gz FZQNPUQSNNJZHY-INIZCTEOSA-N 1 0 243.350 2.434 20 30 BEEDRO CC[C@@H]1CCCCC[N@@H+]1CC#CCOC ZINC000677818225 488133299 /nfs/dbraw/zinc/13/32/99/488133299.db2.gz XDVMWUOMVXHXLT-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)c1ccccc1OC ZINC000677819367 488133857 /nfs/dbraw/zinc/13/38/57/488133857.db2.gz ZWWWBWVVHPHGQJ-UHFFFAOYSA-N 1 0 247.338 2.170 20 30 BEEDRO C=CCC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000658113614 487544840 /nfs/dbraw/zinc/54/48/40/487544840.db2.gz HTSDNXAUYVOJKM-ZDUSSCGKSA-N 1 0 216.328 2.495 20 30 BEEDRO C=CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000161965555 487530562 /nfs/dbraw/zinc/53/05/62/487530562.db2.gz MOKHAAMSWGESKA-CYBMUJFWSA-N 1 0 232.327 2.159 20 30 BEEDRO CCC#C[C@H](C)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000680073406 487533003 /nfs/dbraw/zinc/53/30/03/487533003.db2.gz CVEVRIXXKKNHGT-AWEZNQCLSA-N 1 0 234.387 2.349 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000231798689 487475357 /nfs/dbraw/zinc/47/53/57/487475357.db2.gz XHMVPTOHXKFLPP-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1nc(C)n[nH]1 ZINC000657972096 487494677 /nfs/dbraw/zinc/49/46/77/487494677.db2.gz OUFRLXVGNINOGU-CHWSQXEVSA-N 1 0 248.374 2.380 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000679953912 487501253 /nfs/dbraw/zinc/50/12/53/487501253.db2.gz LMUGSNXSIFGKOX-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000268712006 487501810 /nfs/dbraw/zinc/50/18/10/487501810.db2.gz MMPQDILMUSYKQL-MRXNPFEDSA-N 1 0 243.350 2.382 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000651952618 487503395 /nfs/dbraw/zinc/50/33/95/487503395.db2.gz NMLIWXXNGJJVPN-RYUDHWBXSA-N 1 0 219.332 2.255 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc(C)s1 ZINC000677818965 487514227 /nfs/dbraw/zinc/51/42/27/487514227.db2.gz ZDMIRHWCUSGFSB-UHFFFAOYSA-N 1 0 223.341 2.138 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000677819209 487515748 /nfs/dbraw/zinc/51/57/48/487515748.db2.gz UQTGEORWGPBPSO-HNNXBMFYSA-N 1 0 245.322 2.179 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000677820406 487517880 /nfs/dbraw/zinc/51/78/80/487517880.db2.gz MFGWQNYEVKZTGV-ZDUSSCGKSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000168540673 487517946 /nfs/dbraw/zinc/51/79/46/487517946.db2.gz LGJILTHOANUTMJ-UHFFFAOYSA-N 1 0 236.281 2.179 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000677820423 487518668 /nfs/dbraw/zinc/51/86/68/487518668.db2.gz MUCIWEZFCYQZQH-CQSZACIVSA-N 1 0 247.313 2.265 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000683224204 488134103 /nfs/dbraw/zinc/13/41/03/488134103.db2.gz FCAILGRZFHPLMA-AAEUAGOBSA-N 1 0 229.323 2.251 20 30 BEEDRO COCC#CC[N@@H+]1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000677820208 488137688 /nfs/dbraw/zinc/13/76/88/488137688.db2.gz JCVZSHXMIBWKMX-RDBSUJKOSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000379782561 488151863 /nfs/dbraw/zinc/15/18/63/488151863.db2.gz CXNZIMMQKISGLR-GFCCVEGCSA-N 1 0 207.321 2.073 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000657861087 488153948 /nfs/dbraw/zinc/15/39/48/488153948.db2.gz DXTSNYXSSLXBMD-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000390495724 488161648 /nfs/dbraw/zinc/16/16/48/488161648.db2.gz RVQIXZHMEXQQRV-NSHDSACASA-N 1 0 224.304 2.226 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000678049331 488186477 /nfs/dbraw/zinc/18/64/77/488186477.db2.gz HWYIBLPHNFYWBR-AWEZNQCLSA-N 1 0 235.302 2.121 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H](O)C1CC1 ZINC000683782738 488221192 /nfs/dbraw/zinc/22/11/92/488221192.db2.gz YPHVLMJCKCHWGJ-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000678315264 488240284 /nfs/dbraw/zinc/24/02/84/488240284.db2.gz OHZJMUKRUWBDNE-UHFFFAOYSA-N 1 0 219.332 2.156 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000683930357 488246733 /nfs/dbraw/zinc/24/67/33/488246733.db2.gz JUYSFNCEYVLBKY-GFCCVEGCSA-N 1 0 230.311 2.195 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)C[C@H]1c1cccnc1 ZINC000672553487 488258115 /nfs/dbraw/zinc/25/81/15/488258115.db2.gz NVQDOBSCZUMNIZ-HIFRSBDPSA-N 1 0 244.338 2.114 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1nncn1CC ZINC000678590369 488269153 /nfs/dbraw/zinc/26/91/53/488269153.db2.gz VBANMXWQRKRDML-NEPJUHHUSA-N 1 0 236.363 2.031 20 30 BEEDRO CCC#C[C@H](C)[N@H+](CCCC)CCCO ZINC000678799918 488284857 /nfs/dbraw/zinc/28/48/57/488284857.db2.gz YUQFKGZGVDWJPN-ZDUSSCGKSA-N 1 0 211.349 2.273 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000684798189 488343223 /nfs/dbraw/zinc/34/32/23/488343223.db2.gz GKQNIHGFIHZWPN-UKRRQHHQSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CCOCC[NH2+][C@@H](COC)Cc1ccccc1 ZINC000679576536 488358905 /nfs/dbraw/zinc/35/89/05/488358905.db2.gz OZQJSOFPXVRNFQ-OAHLLOKOSA-N 1 0 249.354 2.036 20 30 BEEDRO C=CCOCC[NH2+][C@H](COC)Cc1ccccc1 ZINC000679576534 488359022 /nfs/dbraw/zinc/35/90/22/488359022.db2.gz OZQJSOFPXVRNFQ-HNNXBMFYSA-N 1 0 249.354 2.036 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCC[C@H]1O ZINC000352659857 490098889 /nfs/dbraw/zinc/09/88/89/490098889.db2.gz OWOOBNABTCNQAG-HUUCEWRRSA-N 1 0 244.338 2.098 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000683018506 490153285 /nfs/dbraw/zinc/15/32/85/490153285.db2.gz RPSXYCVIZPVBMT-ZBFHGGJFSA-N 1 0 243.350 2.131 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cncn2C)C1 ZINC000652190234 490167142 /nfs/dbraw/zinc/16/71/42/490167142.db2.gz GYIQMHPEYKGFQB-QWHCGFSZSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2cncn2C)C1 ZINC000652190233 490167595 /nfs/dbraw/zinc/16/75/95/490167595.db2.gz GYIQMHPEYKGFQB-OLZOCXBDSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000303551919 490167679 /nfs/dbraw/zinc/16/76/79/490167679.db2.gz VJZFHOCILCGWLU-UHFFFAOYSA-N 1 0 223.291 2.426 20 30 BEEDRO CC1CC[NH+](CCSCCC#N)CC1 ZINC000413009428 490272453 /nfs/dbraw/zinc/27/24/53/490272453.db2.gz CPPFLXZQCGYYPG-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NCC#N ZINC000336782406 490371178 /nfs/dbraw/zinc/37/11/78/490371178.db2.gz XNARFIDRJHLWQQ-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000305504868 490462607 /nfs/dbraw/zinc/46/26/07/490462607.db2.gz STEGDASEERSUGA-ZDUSSCGKSA-N 1 0 249.354 2.418 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)nc(C#N)c1 ZINC000308260303 490684445 /nfs/dbraw/zinc/68/44/45/490684445.db2.gz BCPXLMDLEWSHCZ-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(O)cc1 ZINC000226762027 491050022 /nfs/dbraw/zinc/05/00/22/491050022.db2.gz YWFRCOSPEFKTNO-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000330477380 491087049 /nfs/dbraw/zinc/08/70/49/491087049.db2.gz MEQRNCMLBPCOFB-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000411491563 491105495 /nfs/dbraw/zinc/10/54/95/491105495.db2.gz FBGWKATWMMEMBO-AGIUHOORSA-N 1 0 238.375 2.408 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H](C(C)C)CC1 ZINC000677817259 491138581 /nfs/dbraw/zinc/13/85/81/491138581.db2.gz JRFWFVBHZHWUOS-CQSZACIVSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cnccc1C ZINC000309374046 491147643 /nfs/dbraw/zinc/14/76/43/491147643.db2.gz CJYWCZNTCUTWBL-GFCCVEGCSA-N 1 0 220.316 2.243 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000890545072 582469252 /nfs/dbraw/zinc/46/92/52/582469252.db2.gz CITHHQHVCZTPAP-QWHCGFSZSA-N 1 0 236.359 2.036 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404003632 533726706 /nfs/dbraw/zinc/72/67/06/533726706.db2.gz NRHRJYBMJKOVNJ-BXKDBHETSA-N 1 0 218.275 2.443 20 30 BEEDRO Cc1cc(C[NH2+][C@H](CCO)C(C)C)ccc1C#N ZINC000488315680 533735514 /nfs/dbraw/zinc/73/55/14/533735514.db2.gz QESXZUSDRZBLTM-OAHLLOKOSA-N 1 0 246.354 2.363 20 30 BEEDRO CC(C)[C@H]1CCCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779798150 582734680 /nfs/dbraw/zinc/73/46/80/582734680.db2.gz MSRBSXJBKMSJCF-WDEREUQCSA-N 1 0 236.363 2.126 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C(C)(C)OC ZINC000340538004 534324505 /nfs/dbraw/zinc/32/45/05/534324505.db2.gz SPHNLEZWVMYSFE-AGIUHOORSA-N 1 0 241.375 2.371 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000339951861 534348482 /nfs/dbraw/zinc/34/84/82/534348482.db2.gz PLDIFQDLMNOXOG-JTQLQIEISA-N 1 0 229.283 2.029 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn2ccccc2n1 ZINC000122011748 534351381 /nfs/dbraw/zinc/35/13/81/534351381.db2.gz NZGLBSMFAOUHLD-NSHDSACASA-N 1 0 215.300 2.389 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc[nH]c1 ZINC000280647264 534352019 /nfs/dbraw/zinc/35/20/19/534352019.db2.gz NWRWQHFCZFDCLH-CHWSQXEVSA-N 1 0 220.316 2.086 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@]1(O)CCSC1 ZINC000122374767 534354584 /nfs/dbraw/zinc/35/45/84/534354584.db2.gz OIFMNUPCMOPCSQ-QJPTWQEYSA-N 1 0 229.389 2.045 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)CSC ZINC000167971830 534356293 /nfs/dbraw/zinc/35/62/93/534356293.db2.gz QAWQHOIVXSPKCN-SRVKXCTJSA-N 1 0 231.405 2.291 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC1([S@@](C)=O)CC1 ZINC000308895027 534356351 /nfs/dbraw/zinc/35/63/51/534356351.db2.gz ZAIRFGPNUDPXOG-ZIBATOQPSA-N 1 0 229.389 2.088 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000341266775 534359074 /nfs/dbraw/zinc/35/90/74/534359074.db2.gz BUQVMDRZQVPUGJ-GVXVVHGQSA-N 1 0 233.359 2.457 20 30 BEEDRO C=C(CC)C[N@@H+](CCC)CC(=O)NCCC ZINC000358626939 534378919 /nfs/dbraw/zinc/37/89/19/534378919.db2.gz VMTJATUMSBSUEQ-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000354789317 534380270 /nfs/dbraw/zinc/38/02/70/534380270.db2.gz LMRULCCLJOMBMT-STQMWFEESA-N 1 0 232.327 2.157 20 30 BEEDRO C=C(CC)C[NH+]1CCC(OCCCOC)CC1 ZINC000358503818 534381308 /nfs/dbraw/zinc/38/13/08/534381308.db2.gz DWUCGXSTBVAJRA-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000334351630 534382935 /nfs/dbraw/zinc/38/29/35/534382935.db2.gz GRKYTZLHMVKJMM-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C(CC)CN1CCC[N@@H+](C(C)C)CC1 ZINC000358512460 534384543 /nfs/dbraw/zinc/38/45/43/534384543.db2.gz SVUURMPZAMVETQ-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(CC)C[NH+]1CCN(Cc2ccccn2)CC1 ZINC000358628038 534390257 /nfs/dbraw/zinc/39/02/57/534390257.db2.gz ZCTVMMOBEJUTBM-UHFFFAOYSA-N 1 0 245.370 2.165 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@H]21 ZINC000358867346 534394213 /nfs/dbraw/zinc/39/42/13/534394213.db2.gz DLVAJMUAFOYTBD-BFHYXJOUSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352972350 534395387 /nfs/dbraw/zinc/39/53/87/534395387.db2.gz DCAXCGYRBZWQLL-HIFPTAJRSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(COC)c1 ZINC000341326940 534396565 /nfs/dbraw/zinc/39/65/65/534396565.db2.gz ZCXYBHIHXLJTEG-HNNXBMFYSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C(CC)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000336145835 534396655 /nfs/dbraw/zinc/39/66/55/534396655.db2.gz NNIOCPRWXNTLCI-NWDGAFQWSA-N 1 0 227.373 2.159 20 30 BEEDRO C=C(CC)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000336145834 534397269 /nfs/dbraw/zinc/39/72/69/534397269.db2.gz NNIOCPRWXNTLCI-NEPJUHHUSA-N 1 0 227.373 2.159 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(C)c(F)c1 ZINC000341265319 534397465 /nfs/dbraw/zinc/39/74/65/534397465.db2.gz HZCCYPYGUYHNDX-ZDUSSCGKSA-N 1 0 237.318 2.408 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000352410586 534397487 /nfs/dbraw/zinc/39/74/87/534397487.db2.gz RGZKPTNXRSOXCJ-CYBMUJFWSA-N 1 0 219.332 2.405 20 30 BEEDRO Cc1ccnc(NC(C)(C)C[NH+](C)C)c1C#N ZINC000308657717 534402117 /nfs/dbraw/zinc/40/21/17/534402117.db2.gz IPUHKDPGNSLICV-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C\c1ccccc1OC ZINC000351605735 534407132 /nfs/dbraw/zinc/40/71/32/534407132.db2.gz QPCYXFNGUIFKJE-DEBLGDTFSA-N 1 0 247.338 2.235 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000309114847 534417149 /nfs/dbraw/zinc/41/71/49/534417149.db2.gz LAEPIPBIVKJEJH-JTQLQIEISA-N 1 0 207.321 2.345 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccc2c1OCO2 ZINC000085057757 534417502 /nfs/dbraw/zinc/41/75/02/534417502.db2.gz XIMLKQUFLLTVLX-UHFFFAOYSA-N 1 0 219.284 2.471 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)c1ccccc1 ZINC000085058519 534420360 /nfs/dbraw/zinc/42/03/60/534420360.db2.gz WEYNZRIAKOVVJL-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO CCCCCCCC(=O)NC1CC[NH2+]CC1 ZINC000059082292 519962960 /nfs/dbraw/zinc/96/29/60/519962960.db2.gz ZMOLNBPFNJJZJW-UHFFFAOYSA-N 1 0 226.364 2.215 20 30 BEEDRO C[NH2+][C@@H](C)CNc1ccc(Cl)cc1C#N ZINC000261536782 536345061 /nfs/dbraw/zinc/34/50/61/536345061.db2.gz SWYNUJBUIRKPMY-QMMMGPOBSA-N 1 0 223.707 2.231 20 30 BEEDRO C=CCNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000066242397 534520518 /nfs/dbraw/zinc/52/05/18/534520518.db2.gz VSVCMNWZWKDZIF-UHFFFAOYSA-N 1 0 249.383 2.177 20 30 BEEDRO C=CC1CC[NH+](Cc2ncc(C)n2C)CC1 ZINC000342772393 534530988 /nfs/dbraw/zinc/53/09/88/534530988.db2.gz BWFAJXMJQYFHDJ-UHFFFAOYSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(N)s2)CC1 ZINC000261530581 534529720 /nfs/dbraw/zinc/52/97/20/534529720.db2.gz CSXJCMBJBPCCEC-UHFFFAOYSA-N 1 0 223.345 2.123 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000352473261 534536980 /nfs/dbraw/zinc/53/69/80/534536980.db2.gz RLBNEGMJQAELMI-MVZIDQBPSA-N 1 0 239.265 2.115 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000352455540 534539406 /nfs/dbraw/zinc/53/94/06/534539406.db2.gz ZGBWWYFLBIXCDR-AWEZNQCLSA-N 1 0 242.322 2.180 20 30 BEEDRO C#CCCNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000849008608 582822913 /nfs/dbraw/zinc/82/29/13/582822913.db2.gz LAZFSMPDTWXPNN-GFCCVEGCSA-N 1 0 223.364 2.338 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCc1ccccc1 ZINC000290009820 534541992 /nfs/dbraw/zinc/54/19/92/534541992.db2.gz ZRNCZKASMZQLFD-JSGCOSHPSA-N 1 0 219.328 2.144 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1c(C)cnn1C ZINC000292976863 534550772 /nfs/dbraw/zinc/55/07/72/534550772.db2.gz MTJFABYKIVOYOV-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000340427858 534555050 /nfs/dbraw/zinc/55/50/50/534555050.db2.gz VTHZFJIRZVIVNL-NSHDSACASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000341216376 534609861 /nfs/dbraw/zinc/60/98/61/534609861.db2.gz MUEVBRXOGPHGBT-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000173814885 534609934 /nfs/dbraw/zinc/60/99/34/534609934.db2.gz HJPDGJNHKGHUEI-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404112189 534612395 /nfs/dbraw/zinc/61/23/95/534612395.db2.gz JXSQREHAGLSBGA-UHFFFAOYSA-N 1 0 217.247 2.091 20 30 BEEDRO C=CCCC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185871191 534613075 /nfs/dbraw/zinc/61/30/75/534613075.db2.gz GPFLGNAOBREIQR-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC(=O)NCCC[NH+]1CCCCCC1 ZINC000338750519 534614370 /nfs/dbraw/zinc/61/43/70/534614370.db2.gz RNCORDDXYNIIAO-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO N#CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000494753624 534615294 /nfs/dbraw/zinc/61/52/94/534615294.db2.gz ZKHOIYGJMRUUQM-FRRDWIJNSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000175764426 534646598 /nfs/dbraw/zinc/64/65/98/534646598.db2.gz AQGAFPCZVRUJPM-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000359121852 534646317 /nfs/dbraw/zinc/64/63/17/534646317.db2.gz BYZSXJFPXGWNRR-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC1(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000355107179 534642663 /nfs/dbraw/zinc/64/26/63/534642663.db2.gz JJGPIIGAMWKAPY-LBPRGKRZSA-N 1 0 248.370 2.086 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185832202 534651678 /nfs/dbraw/zinc/65/16/78/534651678.db2.gz ILUGNTMWBZNKCT-XQQFMLRXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000362613384 534657046 /nfs/dbraw/zinc/65/70/46/534657046.db2.gz KGRMVDYVCPFVBP-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175148619 534657466 /nfs/dbraw/zinc/65/74/66/534657466.db2.gz NZFPRPJIZVFOKL-UHFFFAOYSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1 ZINC000290009818 534682886 /nfs/dbraw/zinc/68/28/86/534682886.db2.gz ZRNCZKASMZQLFD-GXTWGEPZSA-N 1 0 219.328 2.144 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353572576 534683049 /nfs/dbraw/zinc/68/30/49/534683049.db2.gz YFVYZMBOTRAFPI-KGLIPLIRSA-N 1 0 230.311 2.146 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000289659737 534683622 /nfs/dbraw/zinc/68/36/22/534683622.db2.gz GQZZNHCUKSHXLL-MBNYWOFBSA-N 1 0 249.354 2.324 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CS[C@H](C(C)(C)C)C1 ZINC000309075698 534684858 /nfs/dbraw/zinc/68/48/58/534684858.db2.gz KDUIOBCSTYREQR-MXWKQRLJSA-N 1 0 229.389 2.043 20 30 BEEDRO C=CCCCC[NH2+]Cc1c(C)cnn1C ZINC000309170987 534690392 /nfs/dbraw/zinc/69/03/92/534690392.db2.gz LIIXMDOWDOEOPK-UHFFFAOYSA-N 1 0 207.321 2.174 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCc1cnn(C)c1 ZINC000348166398 534694689 /nfs/dbraw/zinc/69/46/89/534694689.db2.gz BQRBDDZBUAFMOE-ZDUSSCGKSA-N 1 0 219.332 2.003 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1c[nH]c2nccnc12 ZINC000336012120 534697196 /nfs/dbraw/zinc/69/71/96/534697196.db2.gz OHLHPRKQKCVEIU-LBPRGKRZSA-N 1 0 242.326 2.450 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000361889056 534699817 /nfs/dbraw/zinc/69/98/17/534699817.db2.gz NKXXEUXOFDFYCU-TZMCWYRMSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)NC(C)(C)CC ZINC000076734089 534707068 /nfs/dbraw/zinc/70/70/68/534707068.db2.gz UEPMDLGHCUXREZ-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCC[N@@H+](C)CCC(=O)NCCCC ZINC000076734212 534707083 /nfs/dbraw/zinc/70/70/83/534707083.db2.gz AFWPKUMGYYZDAQ-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CC#CC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000295469364 534708222 /nfs/dbraw/zinc/70/82/22/534708222.db2.gz XWEVYBLSLHBUEI-UHFFFAOYSA-N 1 0 232.302 2.366 20 30 BEEDRO CC#CC[N@@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000253097592 534708273 /nfs/dbraw/zinc/70/82/73/534708273.db2.gz RUFIOYOAPCLRBQ-QWHCGFSZSA-N 1 0 209.333 2.025 20 30 BEEDRO CC#CC[NH+]1CCC(Cc2cccnc2)CC1 ZINC000374490831 534708365 /nfs/dbraw/zinc/70/83/65/534708365.db2.gz XVXVCWIGCYDMKD-UHFFFAOYSA-N 1 0 228.339 2.359 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000076735584 534711030 /nfs/dbraw/zinc/71/10/30/534711030.db2.gz JKHKPMDBWNSERD-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[N@@H+](CC(=O)OCC)C1CCC1 ZINC000342628682 534715904 /nfs/dbraw/zinc/71/59/04/534715904.db2.gz GUWRGEBXUPMEKJ-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC[N@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347788849 534719527 /nfs/dbraw/zinc/71/95/27/534719527.db2.gz JURCFTCHSRPNPK-UHFFFAOYSA-N 1 0 247.298 2.314 20 30 BEEDRO C=CCCC[N@@H+]1CCc2ccccc2[C@H]1C(N)=O ZINC000369411835 534721039 /nfs/dbraw/zinc/72/10/39/534721039.db2.gz MYQZBHXOJGJVIQ-AWEZNQCLSA-N 1 0 244.338 2.037 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352884146 534723263 /nfs/dbraw/zinc/72/32/63/534723263.db2.gz LGZDYOYQFFULLW-HUBLWGQQSA-N 1 0 229.389 2.184 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cnn(C)c1C ZINC000183432289 534735439 /nfs/dbraw/zinc/73/54/39/534735439.db2.gz UPACOFJWHGOKFJ-SNVBAGLBSA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)c1ccccc1 ZINC000070592390 534735893 /nfs/dbraw/zinc/73/58/93/534735893.db2.gz WMXPQTWCQQXUQJ-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO C=CCCC[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339723192 534736127 /nfs/dbraw/zinc/73/61/27/534736127.db2.gz CJRTVGSBHJTIDZ-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[N@@H+](C)CCCCCS(=O)(=O)CC ZINC000355278296 534768177 /nfs/dbraw/zinc/76/81/77/534768177.db2.gz KQMLVHIPPROMRZ-UHFFFAOYSA-N 1 0 247.404 2.099 20 30 BEEDRO C=CCC[N@H+](C)CCCOCC(F)(F)F ZINC000342718041 534767577 /nfs/dbraw/zinc/76/75/77/534767577.db2.gz HKCVLMISYNLIJB-UHFFFAOYSA-N 1 0 225.254 2.463 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)C1CCCCC1 ZINC000355275742 534768996 /nfs/dbraw/zinc/76/89/96/534768996.db2.gz GUPBXESQAIQMCB-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC1CCCCC1 ZINC000342761432 534769787 /nfs/dbraw/zinc/76/97/87/534769787.db2.gz DWEGCODDVSJAGE-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NCCCCC ZINC000342729757 534770043 /nfs/dbraw/zinc/77/00/43/534770043.db2.gz YJWRTTGMHWEUMI-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[N@H+]1CC(C)(C)[C@H]1[C@@H]1CCCO1 ZINC000351957339 534774069 /nfs/dbraw/zinc/77/40/69/534774069.db2.gz JUOKWBIGRDMZJA-NWDGAFQWSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1ccncc1F ZINC000340518893 534777688 /nfs/dbraw/zinc/77/76/88/534777688.db2.gz JPXXZGWZEOCLNZ-NSHDSACASA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)C1CCOCC1 ZINC000343379395 534800180 /nfs/dbraw/zinc/80/01/80/534800180.db2.gz BPSBZIUHLCABTQ-ZIAGYGMSSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccccn1 ZINC000181801184 534805885 /nfs/dbraw/zinc/80/58/85/534805885.db2.gz WBHZFNXPWSYKHA-RYUDHWBXSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000132657409 534806463 /nfs/dbraw/zinc/80/64/63/534806463.db2.gz BFNGBQCBRFNRKR-RYUDHWBXSA-N 1 0 241.375 2.249 20 30 BEEDRO C=CCN(C(=O)[C@H](CCC)[NH2+]C(C)C)C1CC1 ZINC000355589658 534814263 /nfs/dbraw/zinc/81/42/63/534814263.db2.gz VMLLPJKLJPBXNO-ZDUSSCGKSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000357659307 534824329 /nfs/dbraw/zinc/82/43/29/534824329.db2.gz SSAMZLWWPOUIDU-CYBMUJFWSA-N 1 0 238.375 2.354 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc(OCCC)cc1 ZINC000264083202 534843605 /nfs/dbraw/zinc/84/36/05/534843605.db2.gz IYFFDUOVLUWIHF-UHFFFAOYSA-N 1 0 247.342 2.066 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)c1ccc(F)cc1 ZINC000104193978 534843413 /nfs/dbraw/zinc/84/34/13/534843413.db2.gz ZUYUHZBCJLXTQZ-UHFFFAOYSA-N 1 0 249.333 2.194 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](OCc2c(C)noc2C)C1 ZINC000375158948 534852775 /nfs/dbraw/zinc/85/27/75/534852775.db2.gz KTLIHROVLRJYPC-GFCCVEGCSA-N 1 0 236.315 2.068 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1csc(C)c1 ZINC000297109720 534859422 /nfs/dbraw/zinc/85/94/22/534859422.db2.gz YAOIHSZIYVFOKP-SNVBAGLBSA-N 1 0 238.356 2.009 20 30 BEEDRO C=CCOCCC[N@@H+](CCO)C1CCCCC1 ZINC000348049560 534874705 /nfs/dbraw/zinc/87/47/05/534874705.db2.gz OPNFDHIPCVNHJB-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCOCCC[N@@H+](C[C@H](C)C#N)C1CC1 ZINC000348060175 534874718 /nfs/dbraw/zinc/87/47/18/534874718.db2.gz RESDHPGDLWEQPH-GFCCVEGCSA-N 1 0 222.332 2.203 20 30 BEEDRO C=CCOCCC[N@@H+](CCO)[C@H]1CC[C@@H](C)C1 ZINC000351651756 534875022 /nfs/dbraw/zinc/87/50/22/534875022.db2.gz RGHRCZXWXZQBLG-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[NH2+][C@@]1(CCC)CCOC1 ZINC000309624220 534875420 /nfs/dbraw/zinc/87/54/20/534875420.db2.gz FIVRGBYYSKLEKE-ZDUSSCGKSA-N 1 0 227.348 2.128 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000310033797 534875440 /nfs/dbraw/zinc/87/54/40/534875440.db2.gz SFCYAICIDALCSC-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@]1(CCC)CCOC1 ZINC000309624219 534876208 /nfs/dbraw/zinc/87/62/08/534876208.db2.gz FIVRGBYYSKLEKE-CYBMUJFWSA-N 1 0 227.348 2.128 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)O[C@@H]2CCC[C@@H]21 ZINC000339158214 534877334 /nfs/dbraw/zinc/87/73/34/534877334.db2.gz JEZQHARZVUNYJG-QWHCGFSZSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000339199684 534877344 /nfs/dbraw/zinc/87/73/44/534877344.db2.gz CGAKSZNADHOTRO-STQMWFEESA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCOCC[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000339206204 534878415 /nfs/dbraw/zinc/87/84/15/534878415.db2.gz ZKSQGTBZDQBUGM-JTQLQIEISA-N 1 0 219.275 2.166 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000306887683 526454547 /nfs/dbraw/zinc/45/45/47/526454547.db2.gz UVIARVWJZRUHIU-UHFFFAOYSA-N 1 0 242.363 2.457 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494254677 526540184 /nfs/dbraw/zinc/54/01/84/526540184.db2.gz TYTLPZQEPQKFGD-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+](CC)C[C@@H](O)COCCCC ZINC000195130625 526548377 /nfs/dbraw/zinc/54/83/77/526548377.db2.gz BFXANIUMLYRKLQ-CYBMUJFWSA-N 1 0 229.364 2.062 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000495513351 526625944 /nfs/dbraw/zinc/62/59/44/526625944.db2.gz KKBCISSFOLUXBR-VXGBXAGGSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(C)C[NH2+][C@@]1(C)CCCC[C@@H]1C(=O)OC ZINC000336757089 526626134 /nfs/dbraw/zinc/62/61/34/526626134.db2.gz HLYULULCGPMCPT-YPMHNXCESA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(CC)C[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495598184 526850242 /nfs/dbraw/zinc/85/02/42/526850242.db2.gz QFRZXWCTDHXIKR-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C#CC[N@@H+](CCCCO)[C@@H]1CCc2ccccc21 ZINC000303402621 526901972 /nfs/dbraw/zinc/90/19/72/526901972.db2.gz NHDKHQYRRIQOOX-MRXNPFEDSA-N 1 0 243.350 2.382 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000494424809 527000344 /nfs/dbraw/zinc/00/03/44/527000344.db2.gz JIAUTIQIROAIDQ-GFCCVEGCSA-N 1 0 246.358 2.117 20 30 BEEDRO C=CCCCCC[NH+]1CCN(C(=O)OC)CC1 ZINC000496353626 527131751 /nfs/dbraw/zinc/13/17/51/527131751.db2.gz ARDXGGJOMHOIRS-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000401767250 527136094 /nfs/dbraw/zinc/13/60/94/527136094.db2.gz ZDBYLRUBDVNUON-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[N@@H+]1C[C@H](O)[C@H](CC)C1 ZINC000400468922 527136381 /nfs/dbraw/zinc/13/63/81/527136381.db2.gz WJXVUGLQVVOFGL-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](CO)C(C)C ZINC000308859367 527139723 /nfs/dbraw/zinc/13/97/23/527139723.db2.gz QYWKANNTJLEUNN-XQQFMLRXSA-N 1 0 213.365 2.441 20 30 BEEDRO C=CCCC[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000495733253 527196459 /nfs/dbraw/zinc/19/64/59/527196459.db2.gz WXZMVAMSUUYVBJ-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1COC(=O)NC ZINC000495777059 527197780 /nfs/dbraw/zinc/19/77/80/527197780.db2.gz YHOOAATZUKCOGX-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000491439208 527245564 /nfs/dbraw/zinc/24/55/64/527245564.db2.gz IIOKTCNSQDUUMT-AWEZNQCLSA-N 1 0 243.354 2.183 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)OC)CC1 ZINC000494504709 527248895 /nfs/dbraw/zinc/24/88/95/527248895.db2.gz MZUSUXQVKYQAEW-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000488118436 527275961 /nfs/dbraw/zinc/27/59/61/527275961.db2.gz ZQCLLFFGPVCJDU-AVGNSLFASA-N 1 0 227.348 2.077 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)c(O)c(C)c1 ZINC000491754205 527332132 /nfs/dbraw/zinc/33/21/32/527332132.db2.gz RPTVGKJVYYYMLC-LBPRGKRZSA-N 1 0 217.312 2.463 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCCCCCC)C(C)C ZINC000491782040 527376993 /nfs/dbraw/zinc/37/69/93/527376993.db2.gz MQEXANBNALQEML-LBPRGKRZSA-N 1 0 223.364 2.338 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)cn1)C(C)C ZINC000300874767 527409552 /nfs/dbraw/zinc/40/95/52/527409552.db2.gz IAXZYVOIANGLDP-ZDUSSCGKSA-N 1 0 202.301 2.137 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000308491275 527409996 /nfs/dbraw/zinc/40/99/96/527409996.db2.gz BPYWDKQSTBYFMX-MNOVXSKESA-N 1 0 211.374 2.377 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)CCC(C)C)C(C)C ZINC000491395481 527410213 /nfs/dbraw/zinc/41/02/13/527410213.db2.gz SOSYXXOLEJMAOJ-OLZOCXBDSA-N 1 0 211.349 2.031 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(C)(C)C ZINC000309097281 527412909 /nfs/dbraw/zinc/41/29/09/527412909.db2.gz DIKNCBQSNFDPIP-TUAOUCFPSA-N 1 0 209.333 2.049 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CCC(C)(CC)CC1 ZINC000336759668 527440373 /nfs/dbraw/zinc/44/03/73/527440373.db2.gz KZGGTFWPHCCUTF-HIFPTAJRSA-N 1 0 211.349 2.482 20 30 BEEDRO CC[N@H+](CCCSCCOC)C[C@H](C)C#N ZINC000487892292 528473453 /nfs/dbraw/zinc/47/34/53/528473453.db2.gz TUPVACIMDLKGAX-GFCCVEGCSA-N 1 0 244.404 2.238 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000168185057 535006493 /nfs/dbraw/zinc/00/64/93/535006493.db2.gz BTZBVICFQWGRTB-WDEREUQCSA-N 1 0 224.348 2.065 20 30 BEEDRO CC1(C)SC[C@@H]1NC(=[NH2+])Nc1ccccc1 ZINC000283064495 535009614 /nfs/dbraw/zinc/00/96/14/535009614.db2.gz SEXFUJUFWNGDGE-JTQLQIEISA-N 1 0 235.356 2.307 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)[C@@H]2CCCO[C@@H]21 ZINC000349308537 535077197 /nfs/dbraw/zinc/07/71/97/535077197.db2.gz ABRIPSPYYSGKMU-VJTDZRGJSA-N 1 0 248.370 2.472 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+]CCCCC(C)(C)C#N ZINC000232687542 535202623 /nfs/dbraw/zinc/20/26/23/535202623.db2.gz OOLZVEMLDOLCJA-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)([NH2+]CCOCCC#N)c1ccccc1 ZINC000293074105 535249103 /nfs/dbraw/zinc/24/91/03/535249103.db2.gz LZMPAJJNSKZZAO-UHFFFAOYSA-N 1 0 232.327 2.442 20 30 BEEDRO CC[NH+]=C(NCC1CC1)N1CCc2ccccc21 ZINC000262946108 535260337 /nfs/dbraw/zinc/26/03/37/535260337.db2.gz AWIBCUXCNWABHM-UHFFFAOYSA-N 1 0 243.354 2.425 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CCC[C@@H](C)C1 ZINC000262535828 535263627 /nfs/dbraw/zinc/26/36/27/535263627.db2.gz JTXCIXIRLPSLJX-AGIUHOORSA-N 1 0 237.391 2.340 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1CC1(C)C)NC(C)(C)C ZINC000262827581 535266899 /nfs/dbraw/zinc/26/68/99/535266899.db2.gz YUDIOOOFMPQNEG-JTQLQIEISA-N 1 0 225.380 2.386 20 30 BEEDRO CC(C)=CCCNC(=[NH2+])NC1CCCC1 ZINC000276701996 535345576 /nfs/dbraw/zinc/34/55/76/535345576.db2.gz WRGZEFNQAIRLAH-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCCOc1ccccc1 ZINC000264131999 535385065 /nfs/dbraw/zinc/38/50/65/535385065.db2.gz UFYQSBNDOHCQNN-UHFFFAOYSA-N 1 0 249.358 2.016 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911155 535390668 /nfs/dbraw/zinc/39/06/68/535390668.db2.gz MJPXMRCAPOKHFF-CHWSQXEVSA-N 1 0 249.333 2.338 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@H]1Cc1ccccc1 ZINC000267425507 535391698 /nfs/dbraw/zinc/39/16/98/535391698.db2.gz LIWOIVAMLPCNRO-KGLIPLIRSA-N 1 0 245.370 2.274 20 30 BEEDRO CC[NH+](CC)CCCN(C[C@H](C)C#N)C1CC1 ZINC000338289727 535507928 /nfs/dbraw/zinc/50/79/28/535507928.db2.gz URUJXCSDAAHOKC-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CCC(C)(C)C#N ZINC000338302347 535636069 /nfs/dbraw/zinc/63/60/69/535636069.db2.gz RKCQPLWCKDMFTL-MNOVXSKESA-N 1 0 240.347 2.104 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336752144 535691428 /nfs/dbraw/zinc/69/14/28/535691428.db2.gz FVOPTLNUZTUZBG-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](O)CCC(C)C ZINC000361264868 535763043 /nfs/dbraw/zinc/76/30/43/535763043.db2.gz GMHHSWRNGHFKIV-QWHCGFSZSA-N 1 0 226.364 2.265 20 30 BEEDRO CCNC(NCc1ccc(F)cc1F)=[NH+]CC ZINC000264075235 535786807 /nfs/dbraw/zinc/78/68/07/535786807.db2.gz HGQQLKKFLDAHCY-UHFFFAOYSA-N 1 0 241.285 2.040 20 30 BEEDRO CC[C@@H]1CO[C@@H](C)C[N@@H+]1CCCSCC#N ZINC000342086548 535841170 /nfs/dbraw/zinc/84/11/70/535841170.db2.gz CVYUCBDGKCVTTJ-NWDGAFQWSA-N 1 0 242.388 2.133 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@H+](C)C[C@@H](C)C#N)CCO1 ZINC000356974950 535895420 /nfs/dbraw/zinc/89/54/20/535895420.db2.gz BXNXLMFTIDUWFX-YNEHKIRRSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[C@H]([NH2+]CCOCCC#N)c1nccs1 ZINC000339084170 535903942 /nfs/dbraw/zinc/90/39/42/535903942.db2.gz SGJSIWMKNCUARS-JTQLQIEISA-N 1 0 239.344 2.114 20 30 BEEDRO CC[C@H](O)C[NH2+][C@H](C)c1ccc(OCC#N)cc1 ZINC000163952233 535995087 /nfs/dbraw/zinc/99/50/87/535995087.db2.gz QISBGZHXDXOGKS-YPMHNXCESA-N 1 0 248.326 2.010 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001172927789 974974836 /nfs/dbraw/zinc/97/48/36/974974836.db2.gz GQGPEHJGGJLCFD-RYUDHWBXSA-N 1 0 234.299 2.198 20 30 BEEDRO CN(CCC[NH+]1CCCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339156835 536346959 /nfs/dbraw/zinc/34/69/59/536346959.db2.gz VYRMYNZLTQEHAA-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCN1CCC(C)(C#N)CC1 ZINC000227353403 536356694 /nfs/dbraw/zinc/35/66/94/536356694.db2.gz DMMHBIXHXJSDJL-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO COC(=O)CCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000348903139 536447660 /nfs/dbraw/zinc/44/76/60/536447660.db2.gz GDKWJXXBZHXSDY-NWDGAFQWSA-N 1 0 238.331 2.002 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CCCSCC#N ZINC000309497512 536591851 /nfs/dbraw/zinc/59/18/51/536591851.db2.gz YVVSMBHKGBHAKC-NWDGAFQWSA-N 1 0 242.388 2.180 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@@H]2CC[C@@H]2C)cc1 ZINC000262629303 536654819 /nfs/dbraw/zinc/65/48/19/536654819.db2.gz FHTJAPNQBISRDK-JOYOIKCWSA-N 1 0 233.315 2.220 20 30 BEEDRO COCCOc1ccccc1C[NH2+]CCCC#N ZINC000273039192 536730687 /nfs/dbraw/zinc/73/06/87/536730687.db2.gz ICOFBDCDFYEWJR-UHFFFAOYSA-N 1 0 248.326 2.105 20 30 BEEDRO COCC[C@H]1CCCC[N@H+](CCC#N)C1 ZINC000368777084 536821769 /nfs/dbraw/zinc/82/17/69/536821769.db2.gz AMVKQTALRZIIRS-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO COC[C@H]([NH2+]CCCC#N)c1ccccc1 ZINC000181699233 536876316 /nfs/dbraw/zinc/87/63/16/536876316.db2.gz FBEIKKGAUSRSKO-ZDUSSCGKSA-N 1 0 218.300 2.267 20 30 BEEDRO C=CC1(OC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000893363851 583125515 /nfs/dbraw/zinc/12/55/15/583125515.db2.gz HPAINAYKZZOAOW-LLVKDONJSA-N 1 0 225.332 2.369 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCC[C@@H](C)C1 ZINC000104179526 583158592 /nfs/dbraw/zinc/15/85/92/583158592.db2.gz CMKWFHCRVBTKCA-VXGBXAGGSA-N 1 0 225.380 2.469 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000894068480 583294301 /nfs/dbraw/zinc/29/43/01/583294301.db2.gz YLAZQCPZSJWZTA-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@H]1CC1(F)F ZINC000877459805 583314360 /nfs/dbraw/zinc/31/43/60/583314360.db2.gz MMLJAPPEHKCWIO-LDYMZIIASA-N 1 0 237.253 2.087 20 30 BEEDRO CNC(NC[C@]1(c2ccccc2)CC1(C)C)=[NH+]C ZINC000853013191 588715472 /nfs/dbraw/zinc/71/54/72/588715472.db2.gz PFBSJEROEGFQQC-HNNXBMFYSA-N 1 0 245.370 2.149 20 30 BEEDRO CNC(NC[C@@]1(c2ccccc2)CC1(C)C)=[NH+]C ZINC000853013192 588715498 /nfs/dbraw/zinc/71/54/98/588715498.db2.gz PFBSJEROEGFQQC-OAHLLOKOSA-N 1 0 245.370 2.149 20 30 BEEDRO C[C@@H](C[NH3+])Nc1cccc(C(F)F)c1C#N ZINC000853016118 588715790 /nfs/dbraw/zinc/71/57/90/588715790.db2.gz OHSKTMJSXQEIPX-ZETCQYMHSA-N 1 0 225.242 2.255 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853105535 588720503 /nfs/dbraw/zinc/72/05/03/588720503.db2.gz ICLSSBJLERSFHW-ZDUSSCGKSA-N 1 0 247.342 2.035 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853064323 588718699 /nfs/dbraw/zinc/71/86/99/588718699.db2.gz KOLNRIWYXLYJFA-AWEZNQCLSA-N 1 0 234.343 2.451 20 30 BEEDRO C#Cc1cccnc1NC1CC[NH+](C(C)C)CC1 ZINC000853093051 588719305 /nfs/dbraw/zinc/71/93/05/588719305.db2.gz AIAKDSGPGBEBPP-UHFFFAOYSA-N 1 0 243.354 2.348 20 30 BEEDRO C#Cc1cccnc1NC[C@@H](C)C[NH+]1CCCC1 ZINC000853196042 588724486 /nfs/dbraw/zinc/72/44/86/588724486.db2.gz NQAJHNPBIYSBDQ-CYBMUJFWSA-N 1 0 243.354 2.207 20 30 BEEDRO C#Cc1cccnc1N[C@H](C)C[NH+](CC)CC ZINC000853233530 588728034 /nfs/dbraw/zinc/72/80/34/588728034.db2.gz HHUNGNLVRVFUDK-GFCCVEGCSA-N 1 0 231.343 2.205 20 30 BEEDRO c1nncn1[NH+]=C1CCC(C2CCC2)CC1 ZINC000853254077 588729256 /nfs/dbraw/zinc/72/92/56/588729256.db2.gz LIOUXRWOWZIVCU-UHFFFAOYSA-N 1 0 218.304 2.473 20 30 BEEDRO CCCCCCCC(=O)NC(C)(C)C[NH3+] ZINC000111202601 588730651 /nfs/dbraw/zinc/73/06/51/588730651.db2.gz UFWNRKCVOMJYRU-UHFFFAOYSA-N 1 0 214.353 2.200 20 30 BEEDRO CCC(Cc1ccc(Cl)cc1)N=NC(N)=[NH2+] ZINC000853286536 588730871 /nfs/dbraw/zinc/73/08/71/588730871.db2.gz BGJCILOXZNIOJU-UHFFFAOYSA-N 1 0 238.722 2.132 20 30 BEEDRO C[C@H]1CNC(NN=C2CCC(C3CCC3)CC2)=[NH+]1 ZINC000853329530 588733362 /nfs/dbraw/zinc/73/33/62/588733362.db2.gz BANWQYTUIOMIJA-NUHJPDEHSA-N 1 0 248.374 2.270 20 30 BEEDRO C[C@@H]1CCCCN1N=C1CCC[N@H+](C)CC1 ZINC000853379653 588739131 /nfs/dbraw/zinc/73/91/31/588739131.db2.gz LGERMXIAMJLXRM-GFCCVEGCSA-N 1 0 223.364 2.333 20 30 BEEDRO C=CCN(CN1CC[C@@H](C(C)C)C1=O)C1CC1 ZINC000853506256 588746753 /nfs/dbraw/zinc/74/67/53/588746753.db2.gz XHZMUIRIIBFFDO-ZDUSSCGKSA-N 1 0 236.359 2.099 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CN2C[C@@H](C)CC2=O)C1 ZINC000853537183 588748050 /nfs/dbraw/zinc/74/80/50/588748050.db2.gz QRFKKIPAQAAJJA-STQMWFEESA-N 1 0 236.359 2.100 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CN2C[C@H](C)CC2=O)C1 ZINC000853537180 588748080 /nfs/dbraw/zinc/74/80/80/588748080.db2.gz QRFKKIPAQAAJJA-CHWSQXEVSA-N 1 0 236.359 2.100 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CN2C(=O)CC23CCC3)C1 ZINC000853536970 588748175 /nfs/dbraw/zinc/74/81/75/588748175.db2.gz LHJPDBYKGPAZNS-ZDUSSCGKSA-N 1 0 248.370 2.387 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CN2C[C@H](C)CC2=O)C1 ZINC000853537181 588748187 /nfs/dbraw/zinc/74/81/87/588748187.db2.gz QRFKKIPAQAAJJA-OLZOCXBDSA-N 1 0 236.359 2.100 20 30 BEEDRO C#CCC[N@H+]1CC(C)(C)[C@@H]1c1cccnc1 ZINC000854041991 588772507 /nfs/dbraw/zinc/77/25/07/588772507.db2.gz UEBOZLZHCVCYCH-ZDUSSCGKSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@](C)(CC)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000854698166 588802910 /nfs/dbraw/zinc/80/29/10/588802910.db2.gz SRWQVWTVWNRQQH-GXTWGEPZSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855163768 588824850 /nfs/dbraw/zinc/82/48/50/588824850.db2.gz FUZWUCZBJAINHP-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000890547823 582470655 /nfs/dbraw/zinc/47/06/55/582470655.db2.gz FKVLJAVNTBXVBL-RDBSUJKOSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000890550435 582472247 /nfs/dbraw/zinc/47/22/47/582472247.db2.gz XKKQHAUJUMIFNU-NEPJUHHUSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000890563205 582479252 /nfs/dbraw/zinc/47/92/52/582479252.db2.gz PTADFZJCZMFWFT-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC000890809052 582571445 /nfs/dbraw/zinc/57/14/45/582571445.db2.gz IKMILUTXWAVZMK-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC000890810292 582571997 /nfs/dbraw/zinc/57/19/97/582571997.db2.gz RDLZBKGDTKSRAN-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCN(CC)C(=O)C[N@H+](CC)C1CC1 ZINC000890812165 582573270 /nfs/dbraw/zinc/57/32/70/582573270.db2.gz SHYNCYNVUAFRJN-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(=O)c1ccc(C#N)cc1N[C@@H](C)C[NH+](C)C ZINC000804855452 582636023 /nfs/dbraw/zinc/63/60/23/582636023.db2.gz QWZQTISFFUOBSH-JTQLQIEISA-N 1 0 245.326 2.123 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CCC)C(C)C ZINC000301003705 582639843 /nfs/dbraw/zinc/63/98/43/582639843.db2.gz XOQLYTFMEZRDIE-ZDUSSCGKSA-N 1 0 219.332 2.041 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000845974578 582641771 /nfs/dbraw/zinc/64/17/71/582641771.db2.gz LVUOUCLHUFFEMS-VXGBXAGGSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000891266589 582645735 /nfs/dbraw/zinc/64/57/35/582645735.db2.gz DTZQGJMHCKXDOH-VXGBXAGGSA-N 1 0 236.359 2.084 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnccc2C)C1 ZINC000847020422 582674283 /nfs/dbraw/zinc/67/42/83/582674283.db2.gz BLOYXCZHMBSFKU-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO CCN(CCC#N)Cc1cnc(F)cc1C ZINC000891577937 582698226 /nfs/dbraw/zinc/69/82/26/582698226.db2.gz HKKQAGBPBIWHMB-UHFFFAOYSA-N 1 0 221.279 2.265 20 30 BEEDRO CCOc1ccc(CN(C)C[C@@H](C)C#N)o1 ZINC000891715615 582713050 /nfs/dbraw/zinc/71/30/50/582713050.db2.gz GKPPSVZSAHDPSX-JTQLQIEISA-N 1 0 222.288 2.270 20 30 BEEDRO CCN(Cc1ccc(OC)o1)C[C@@H](C)C#N ZINC000891715855 582713238 /nfs/dbraw/zinc/71/32/38/582713238.db2.gz IXBPDIYGJCYLEX-JTQLQIEISA-N 1 0 222.288 2.270 20 30 BEEDRO CC(C)[C@@H]1CCCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779798148 582734989 /nfs/dbraw/zinc/73/49/89/582734989.db2.gz MSRBSXJBKMSJCF-QWRGUYRKSA-N 1 0 236.363 2.126 20 30 BEEDRO C=C1CC[NH+](Cc2cn(C)nc2C2CC2)CC1 ZINC000891943688 582742278 /nfs/dbraw/zinc/74/22/78/582742278.db2.gz UJNWEBAFFQGITB-UHFFFAOYSA-N 1 0 231.343 2.450 20 30 BEEDRO CC[N@@H+]1CCN(Cc2csc(C#N)c2)C[C@H]1C ZINC000891993980 582755957 /nfs/dbraw/zinc/75/59/57/582755957.db2.gz YNOTXBNGRSDTML-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@]3(CCOC3)C2)cs1 ZINC000892176169 582804981 /nfs/dbraw/zinc/80/49/81/582804981.db2.gz RTNQYKODKWXICT-ZDUSSCGKSA-N 1 0 248.351 2.232 20 30 BEEDRO C#C[C@@H]1CCCN(c2cc[nH+]cc2C)C1 ZINC000848751993 582812910 /nfs/dbraw/zinc/81/29/10/582812910.db2.gz ZDTYASSGFFEYLP-GFCCVEGCSA-N 1 0 200.285 2.240 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@]1(C)c1ccccc1)N(C)C ZINC000849010648 582823522 /nfs/dbraw/zinc/82/35/22/582823522.db2.gz VOQMODQGGGTHDU-UKRRQHHQSA-N 1 0 245.370 2.196 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NCC2(C#N)CC2)c1 ZINC000849025950 582830457 /nfs/dbraw/zinc/83/04/57/582830457.db2.gz QCZNIWOHULRHCB-UHFFFAOYSA-N 1 0 228.299 2.235 20 30 BEEDRO CN(C)C(=[NH+]CC[C@]1(C)C[C@@]1(F)Cl)N(C)C ZINC000849047863 582840908 /nfs/dbraw/zinc/84/09/08/582840908.db2.gz YEFMLZINXSYKHU-MNOVXSKESA-N 1 0 249.761 2.170 20 30 BEEDRO CN(C)C(=[NH+]CC[C@@]1(C)C[C@@]1(F)Cl)N(C)C ZINC000849047864 582841141 /nfs/dbraw/zinc/84/11/41/582841141.db2.gz YEFMLZINXSYKHU-QWRGUYRKSA-N 1 0 249.761 2.170 20 30 BEEDRO C=CCCc1noc(C[C@H]([NH3+])c2ccccc2)n1 ZINC000843238422 582871045 /nfs/dbraw/zinc/87/10/45/582871045.db2.gz RBAMCBHVTIXJBB-LBPRGKRZSA-N 1 0 243.310 2.431 20 30 BEEDRO Cc1cc(C#N)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000892674524 582949043 /nfs/dbraw/zinc/94/90/43/582949043.db2.gz WTHQQCQRWLCNDD-VXGBXAGGSA-N 1 0 244.342 2.156 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCN1CCc2ccccc21 ZINC000852103192 583000755 /nfs/dbraw/zinc/00/07/55/583000755.db2.gz AAKGRJNZMKRMQJ-INIZCTEOSA-N 1 0 242.366 2.441 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1ccc(C#N)cc1 ZINC000852104660 583003153 /nfs/dbraw/zinc/00/31/53/583003153.db2.gz LQCCQMLXZOKGMZ-OAHLLOKOSA-N 1 0 226.323 2.492 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000892950722 583016882 /nfs/dbraw/zinc/01/68/82/583016882.db2.gz PCAOAPBECRTJFQ-JTQLQIEISA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(OCCOC)o1 ZINC000892951675 583017608 /nfs/dbraw/zinc/01/76/08/583017608.db2.gz VGLWWEWIBDZTNO-NSHDSACASA-N 1 0 239.315 2.359 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccnc(C)c1 ZINC000856738055 588875459 /nfs/dbraw/zinc/87/54/59/588875459.db2.gz JEYNODZXXSOTPH-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CC[C@@H]([NH2+][C@@H](C)COC(C)=O)c1ccccc1 ZINC000893239927 583076445 /nfs/dbraw/zinc/07/64/45/583076445.db2.gz VINYHACCAMQZOS-SWLSCSKDSA-N 1 0 245.322 2.292 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H](C)COC(C)=O)c1ccccc1 ZINC000893239928 583076457 /nfs/dbraw/zinc/07/64/57/583076457.db2.gz VINYHACCAMQZOS-WFASDCNBSA-N 1 0 245.322 2.292 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]CC#Cc1ccccc1 ZINC000893284209 583085253 /nfs/dbraw/zinc/08/52/53/583085253.db2.gz DARYXFVPZAXTOC-JKSUJKDBSA-N 1 0 243.350 2.443 20 30 BEEDRO COCCNC(=[NH2+])Nc1cccc(C(C)C)c1 ZINC000104152048 583103809 /nfs/dbraw/zinc/10/38/09/583103809.db2.gz AUTYIQRDDZAQQA-UHFFFAOYSA-N 1 0 235.331 2.183 20 30 BEEDRO Cc1cc(C#N)nc(NCC2([NH+](C)C)CCC2)c1 ZINC000893380675 583132748 /nfs/dbraw/zinc/13/27/48/583132748.db2.gz VGLPPWJDQZNCDD-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO N#CCC1(CNc2cc(N)[nH+]cc2Cl)CC1 ZINC000893649693 583186901 /nfs/dbraw/zinc/18/69/01/583186901.db2.gz VGYLIZLTMWPUAJ-UHFFFAOYSA-N 1 0 236.706 2.423 20 30 BEEDRO C#CC[N@@H+](Cc1nccnc1C)C1CCCC1 ZINC000857024667 588882908 /nfs/dbraw/zinc/88/29/08/588882908.db2.gz LSFSSTINCWZNMA-UHFFFAOYSA-N 1 0 229.327 2.163 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nccnc2C)C1 ZINC000857049627 588884284 /nfs/dbraw/zinc/88/42/84/588884284.db2.gz NKZCBYSPRTUSOD-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO CCCCCCCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000114875441 588887276 /nfs/dbraw/zinc/88/72/76/588887276.db2.gz IOKQJHZFGLZTSL-GFCCVEGCSA-N 1 0 249.420 2.370 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn2ccnc2s1 ZINC000893929544 583250604 /nfs/dbraw/zinc/25/06/04/583250604.db2.gz IISWJKNPTZNITK-UHFFFAOYSA-N 1 0 221.329 2.404 20 30 BEEDRO C=CC1CC[NH+](Cc2c(C)ccnc2N)CC1 ZINC000894020007 583275056 /nfs/dbraw/zinc/27/50/56/583275056.db2.gz KMEPBHYJLNINJP-UHFFFAOYSA-N 1 0 231.343 2.370 20 30 BEEDRO COCCCC1(C[NH2+]CCC#N)CCC1 ZINC000894082599 583295777 /nfs/dbraw/zinc/29/57/77/583295777.db2.gz GIEHIRWPHUJWEQ-UHFFFAOYSA-N 1 0 210.321 2.087 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CC[P@](C)(=O)OCC ZINC000877513585 583320565 /nfs/dbraw/zinc/32/05/65/583320565.db2.gz AVMOEKDWJRTWMF-ZIBATOQPSA-N 1 0 231.276 2.321 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NOCC2CC2)C1 ZINC000814243918 583351081 /nfs/dbraw/zinc/35/10/81/583351081.db2.gz TVWRNWOMPKIPKO-LBPRGKRZSA-N 1 0 210.321 2.273 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NOCC2CC2)C1 ZINC000814243917 583351089 /nfs/dbraw/zinc/35/10/89/583351089.db2.gz TVWRNWOMPKIPKO-GFCCVEGCSA-N 1 0 210.321 2.273 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000877934052 583354394 /nfs/dbraw/zinc/35/43/94/583354394.db2.gz ACRGCMPFWJPYGE-GRYCIOLGSA-N 1 0 225.332 2.082 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000878406961 583372714 /nfs/dbraw/zinc/37/27/14/583372714.db2.gz HLUMSNSJDYOPKA-STQMWFEESA-N 1 0 239.359 2.426 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000878503838 583377516 /nfs/dbraw/zinc/37/75/16/583377516.db2.gz YSEKOAOUUVJYAR-RDBSUJKOSA-N 1 0 239.359 2.078 20 30 BEEDRO C=C(Cl)C[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000726843424 583378758 /nfs/dbraw/zinc/37/87/58/583378758.db2.gz DPISMTYMACFQLN-MRVPVSSYSA-N 1 0 231.723 2.012 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1nccc2c1CCCC2 ZINC000894383761 583442578 /nfs/dbraw/zinc/44/25/78/583442578.db2.gz OIXSFOZOKYCHSA-NSHDSACASA-N 1 0 214.312 2.072 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)C(C)C ZINC000894387766 583444183 /nfs/dbraw/zinc/44/41/83/583444183.db2.gz VHJRYDSOFSUCLD-ZDUSSCGKSA-N 1 0 231.343 2.045 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OCC)o1 ZINC000894387631 583444398 /nfs/dbraw/zinc/44/43/98/583444398.db2.gz RGSSTHTWGSYQLR-SNVBAGLBSA-N 1 0 207.273 2.180 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2csc(C#N)c2)C1 ZINC000894398128 583448317 /nfs/dbraw/zinc/44/83/17/583448317.db2.gz PYGYDPNSLNULIZ-PHIMTYICSA-N 1 0 236.340 2.229 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(C)(C)C ZINC000894518311 583476598 /nfs/dbraw/zinc/47/65/98/583476598.db2.gz XHCQOJMPVJIAMJ-XDSHMYFISA-N 1 0 247.382 2.437 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(CC)nc1C)C(C)(C)C ZINC000894517811 583477079 /nfs/dbraw/zinc/47/70/79/583477079.db2.gz SJSJXVYETYOPNS-CYBMUJFWSA-N 1 0 233.359 2.349 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CCO)c1ccc(Cl)cc1 ZINC000894552555 583483815 /nfs/dbraw/zinc/48/38/15/583483815.db2.gz IRDPQJJAJZGYKX-ZWNOBZJWSA-N 1 0 237.730 2.375 20 30 BEEDRO C#C[C@H](N[C@H](C)COC(C)=O)c1ccc(F)cc1 ZINC000894575432 583486887 /nfs/dbraw/zinc/48/68/87/583486887.db2.gz SJOXPSCOGVIEMQ-YGRLFVJLSA-N 1 0 249.285 2.041 20 30 BEEDRO CC[N@@H+](Cc1csc(C#N)c1)C[C@H](C)OC ZINC000894577414 583487842 /nfs/dbraw/zinc/48/78/42/583487842.db2.gz WGPKVSXFTHJBSH-JTQLQIEISA-N 1 0 238.356 2.477 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1Cc1csc(C#N)c1 ZINC000894640692 583499525 /nfs/dbraw/zinc/49/95/25/583499525.db2.gz HRURVDFFVDMRDJ-GFCCVEGCSA-N 1 0 249.383 2.146 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CSCCC ZINC000894769481 583516671 /nfs/dbraw/zinc/51/66/71/583516671.db2.gz NEUXZSOLKQKDFS-NWDGAFQWSA-N 1 0 231.405 2.435 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894772179 583516771 /nfs/dbraw/zinc/51/67/71/583516771.db2.gz HAIFPUPJXSNEJG-AEJSXWLSSA-N 1 0 222.336 2.364 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCC[C@@H]1O ZINC000894817505 583523999 /nfs/dbraw/zinc/52/39/99/583523999.db2.gz RNNAARWRFSZLAW-TUAOUCFPSA-N 1 0 224.348 2.065 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000894846606 583531360 /nfs/dbraw/zinc/53/13/60/583531360.db2.gz RXYWHWZGJKQOKJ-GASCZTMLSA-N 1 0 229.323 2.195 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)ccc2N(C)C)[C@@H]1C ZINC000894861230 583534483 /nfs/dbraw/zinc/53/44/83/583534483.db2.gz CDDQURHKTPMBES-VXGBXAGGSA-N 1 0 243.354 2.464 20 30 BEEDRO CC1([NH+]2CCC2)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000880473237 583541733 /nfs/dbraw/zinc/54/17/33/583541733.db2.gz ACWNSESRGAXQQL-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCOCC[N@@H+](CC)[C@H](CO)c1ccccc1 ZINC000880461913 583541893 /nfs/dbraw/zinc/54/18/93/583541893.db2.gz KUYPQCYDRWWQBJ-OAHLLOKOSA-N 1 0 249.354 2.245 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1COCO1 ZINC000894880593 583543803 /nfs/dbraw/zinc/54/38/03/583543803.db2.gz DZHMXHHCSINLFH-NWDGAFQWSA-N 1 0 213.321 2.084 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)ccc2F)CCO1 ZINC000223174787 583576954 /nfs/dbraw/zinc/57/69/54/583576954.db2.gz UNXCKYXCOOMIMX-MFKMUULPSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](CO)CC#CC ZINC000895101051 583589028 /nfs/dbraw/zinc/58/90/28/583589028.db2.gz YYQXFTBAQVAMDF-KGLIPLIRSA-N 1 0 223.360 2.485 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@]1(O)CCOC1 ZINC000793552639 583589878 /nfs/dbraw/zinc/58/98/78/583589878.db2.gz ZVXMWFJDJHFPIF-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CC2(C1)CCCC2 ZINC000895132568 583601211 /nfs/dbraw/zinc/60/12/11/583601211.db2.gz VIQAAJOCNXAOLR-GFCCVEGCSA-N 1 0 221.344 2.073 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCCC[C@H]1CO ZINC000895149728 583606096 /nfs/dbraw/zinc/60/60/96/583606096.db2.gz AMXZSLVTCIOCIU-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857867762 588915840 /nfs/dbraw/zinc/91/58/40/588915840.db2.gz JQLRXEDGIBGERN-LLVKDONJSA-N 1 0 205.305 2.343 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895158848 583608550 /nfs/dbraw/zinc/60/85/50/583608550.db2.gz PKDQVWFMESNBSR-NEPJUHHUSA-N 1 0 240.347 2.091 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161899 583610267 /nfs/dbraw/zinc/61/02/67/583610267.db2.gz VKJKHMMMAKLYIT-NWDGAFQWSA-N 1 0 240.347 2.091 20 30 BEEDRO CCC(CC)(CC)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895162868 583610870 /nfs/dbraw/zinc/61/08/70/583610870.db2.gz OMXRYTHYMXMRRW-NSHDSACASA-N 1 0 242.363 2.173 20 30 BEEDRO Fc1ccc(/C=C/C=[NH+]n2cnnc2)cc1F ZINC000794856349 583622151 /nfs/dbraw/zinc/62/21/51/583622151.db2.gz IKZIYLKHSBPXMO-ZMXOSTGLSA-N 1 0 234.209 2.104 20 30 BEEDRO C=C(CC)CNC(=O)NCC[NH2+]C(CC)CC ZINC000895255253 583634349 /nfs/dbraw/zinc/63/43/49/583634349.db2.gz PYJNTMFRMNMPSR-UHFFFAOYSA-N 1 0 241.379 2.030 20 30 BEEDRO C=CCC1([NH2+][C@H](C)c2cnccn2)CCOCC1 ZINC000895259309 583634609 /nfs/dbraw/zinc/63/46/09/583634609.db2.gz LBQSDHCVAGTJHY-GFCCVEGCSA-N 1 0 247.342 2.253 20 30 BEEDRO C=CCC[NH2+]Cc1nnc(C(C)C)s1 ZINC000895328830 583651659 /nfs/dbraw/zinc/65/16/59/583651659.db2.gz BMDIKBVLRJZOAR-UHFFFAOYSA-N 1 0 211.334 2.327 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC000895340545 583654436 /nfs/dbraw/zinc/65/44/36/583654436.db2.gz WJOKQJGHWHMYRO-QLFBSQMISA-N 1 0 231.339 2.459 20 30 BEEDRO C[C@]1(Br)C[C@@H]1C[NH+]1CC(CC#N)C1 ZINC000895343989 583654949 /nfs/dbraw/zinc/65/49/49/583654949.db2.gz KDYRPTFHOSKISD-ZJUUUORDSA-N 1 0 243.148 2.005 20 30 BEEDRO C[C@@]1(Br)C[C@H]1C[NH+]1CC(CC#N)C1 ZINC000895343987 583655103 /nfs/dbraw/zinc/65/51/03/583655103.db2.gz KDYRPTFHOSKISD-VHSXEESVSA-N 1 0 243.148 2.005 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000895383702 583662695 /nfs/dbraw/zinc/66/26/95/583662695.db2.gz APJRKYKKSMOTRE-LSDHHAIUSA-N 1 0 247.382 2.439 20 30 BEEDRO C#CC1(O)CC[NH+](CC(C(C)C)C(C)C)CC1 ZINC000895383707 583662900 /nfs/dbraw/zinc/66/29/00/583662900.db2.gz ATJVBYJIIGBPTF-UHFFFAOYSA-N 1 0 237.387 2.375 20 30 BEEDRO C#CC1(O)CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000895384065 583662967 /nfs/dbraw/zinc/66/29/67/583662967.db2.gz HYHHDYVEDMTGEI-GFCCVEGCSA-N 1 0 249.379 2.139 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000895385002 583663566 /nfs/dbraw/zinc/66/35/66/583663566.db2.gz XLNRXMDWPSEAGU-HIFRSBDPSA-N 1 0 247.382 2.439 20 30 BEEDRO CC1=NO[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000895428548 583668399 /nfs/dbraw/zinc/66/83/99/583668399.db2.gz ILVJHTYMEFPHBC-GHMZBOCLSA-N 1 0 223.320 2.069 20 30 BEEDRO CC1=NO[C@@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000895428551 583668480 /nfs/dbraw/zinc/66/84/80/583668480.db2.gz ILVJHTYMEFPHBC-WDEREUQCSA-N 1 0 223.320 2.069 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000895433788 583672171 /nfs/dbraw/zinc/67/21/71/583672171.db2.gz MPUBIMFAXNRTGG-FICVDOATSA-N 1 0 211.308 2.426 20 30 BEEDRO N#CC1CCC([NH2+]CC2CSC2)CC1 ZINC000895423831 583674264 /nfs/dbraw/zinc/67/42/64/583674264.db2.gz XCTBCNGTDLOBDR-UHFFFAOYSA-N 1 0 210.346 2.021 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cs1 ZINC000895441889 583675381 /nfs/dbraw/zinc/67/53/81/583675381.db2.gz BECOPSBUXSZFLJ-VXGBXAGGSA-N 1 0 248.351 2.088 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2C=CCC2)n1 ZINC000895527889 583685242 /nfs/dbraw/zinc/68/52/42/583685242.db2.gz QKQXFCUJQJWOIT-NSHDSACASA-N 1 0 213.284 2.009 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cccc3c2OCC3)C1 ZINC000895562278 583691652 /nfs/dbraw/zinc/69/16/52/583691652.db2.gz CHLFZCFRXOVGHA-CYBMUJFWSA-N 1 0 241.334 2.467 20 30 BEEDRO C#CC1([NH2+]C[C@@H](C)CCC#N)CCCC1 ZINC000895675404 583704334 /nfs/dbraw/zinc/70/43/34/583704334.db2.gz NQWNKGTWERLKQU-LBPRGKRZSA-N 1 0 204.317 2.462 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CC2(C1)CCCC2 ZINC000895669989 583706385 /nfs/dbraw/zinc/70/63/85/583706385.db2.gz ALBHISIKYHORIG-GFCCVEGCSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CSCCC ZINC000895672850 583706930 /nfs/dbraw/zinc/70/69/30/583706930.db2.gz XZBCDYNJLFSXOS-NWDGAFQWSA-N 1 0 229.389 2.146 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1C ZINC000883125361 583710850 /nfs/dbraw/zinc/71/08/50/583710850.db2.gz GNGURNOLPSKBDB-LBPRGKRZSA-N 1 0 237.730 2.122 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000895712664 583710874 /nfs/dbraw/zinc/71/08/74/583710874.db2.gz CLLCNAORKVHDFQ-XJFOESAGSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC=C(C)CC1 ZINC000895713062 583711223 /nfs/dbraw/zinc/71/12/23/583711223.db2.gz JAGHRLBHLWZNDH-QWHCGFSZSA-N 1 0 209.333 2.402 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000895713607 583711285 /nfs/dbraw/zinc/71/12/85/583711285.db2.gz QOAVONIBTJMEFY-UPJWGTAASA-N 1 0 243.416 2.433 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000895713739 583711364 /nfs/dbraw/zinc/71/13/64/583711364.db2.gz UHUJEXNKFLNRRV-CQSZACIVSA-N 1 0 249.354 2.426 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CCc1ccc(C)cc1 ZINC000895713878 583711416 /nfs/dbraw/zinc/71/14/16/583711416.db2.gz VEVABFFNVQPJHZ-OAHLLOKOSA-N 1 0 233.355 2.454 20 30 BEEDRO CN1CC[C@H]1CNc1c(Cl)cccc1C#N ZINC000895772007 583725226 /nfs/dbraw/zinc/72/52/26/583725226.db2.gz VWWFHUZNKRBCDV-JTQLQIEISA-N 1 0 235.718 2.328 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000895785645 583727190 /nfs/dbraw/zinc/72/71/90/583727190.db2.gz ZPSNJOZXUBRYER-FIXIBIHLSA-N 1 0 241.338 2.335 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(OC)OC ZINC000895792467 583728610 /nfs/dbraw/zinc/72/86/10/583728610.db2.gz DJFVZTUDYBJUSQ-HBNTYKKESA-N 1 0 215.337 2.184 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)cc1O)C1CSC1 ZINC000895810692 583730520 /nfs/dbraw/zinc/73/05/20/583730520.db2.gz IKQHUJOASMOCQR-UHFFFAOYSA-N 1 0 247.363 2.251 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000895834972 583735335 /nfs/dbraw/zinc/73/53/35/583735335.db2.gz UYKIGPBVMJYCAY-ZDUSSCGKSA-N 1 0 237.343 2.082 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@H](CCC)OC)CC1 ZINC000895835086 583735912 /nfs/dbraw/zinc/73/59/12/583735912.db2.gz YQZALXVSBDFPNO-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(OC)cn2)CCCC1 ZINC000896027170 583765088 /nfs/dbraw/zinc/76/50/88/583765088.db2.gz VCKFFVFQENSTEC-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C=C1CCC(CNc2cc[nH+]cc2CO)CC1 ZINC000896059441 583767333 /nfs/dbraw/zinc/76/73/33/583767333.db2.gz BVPXPJJWMIUDFC-UHFFFAOYSA-N 1 0 232.327 2.154 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)n1 ZINC000896263114 583787596 /nfs/dbraw/zinc/78/75/96/583787596.db2.gz ONKXTGAFCYJFKB-DOMZBBRYSA-N 1 0 241.338 2.479 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1Cc2ccccc2C1 ZINC000883389638 583788699 /nfs/dbraw/zinc/78/86/99/583788699.db2.gz VPRBCXZGDSOHBR-OAHLLOKOSA-N 1 0 231.339 2.071 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cnc(C)nc1C ZINC000883390281 583789695 /nfs/dbraw/zinc/78/96/95/583789695.db2.gz IXFGVRYTTSIDAO-YPMHNXCESA-N 1 0 249.358 2.071 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cccnc1 ZINC000883390821 583790886 /nfs/dbraw/zinc/79/08/86/583790886.db2.gz VNNOFYNMJBUYCA-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(COC)cc1 ZINC000883400271 583795717 /nfs/dbraw/zinc/79/57/17/583795717.db2.gz IMFFDAGAXCMNDN-HNNXBMFYSA-N 1 0 249.354 2.250 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C)o1 ZINC000883401710 583797666 /nfs/dbraw/zinc/79/76/66/583797666.db2.gz VXZXLBFQCLTZCG-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C=CC[N@H+]1CC[C@H](Oc2ccc(C)cn2)C1 ZINC000858031732 588930790 /nfs/dbraw/zinc/93/07/90/588930790.db2.gz HREBYZNMEGWYNJ-LBPRGKRZSA-N 1 0 218.300 2.029 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CCC[C@@H](C#N)C1)C1CC1 ZINC000896503565 583807758 /nfs/dbraw/zinc/80/77/58/583807758.db2.gz LCLGSUJWKMEQCU-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@]1(C[NH2+]C[C@H](C)CCC#N)CCSC1 ZINC000896576249 583814724 /nfs/dbraw/zinc/81/47/24/583814724.db2.gz YQKUYJWHAJOPME-NEPJUHHUSA-N 1 0 242.388 2.038 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858142587 588935050 /nfs/dbraw/zinc/93/50/50/588935050.db2.gz GIWGQVKOSZDHMG-WXHSDQCUSA-N 1 0 223.385 2.377 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000858142465 588935056 /nfs/dbraw/zinc/93/50/56/588935056.db2.gz BRDKLQOTGWAKSX-UHFFFAOYSA-N 1 0 245.351 2.019 20 30 BEEDRO C=C(Cl)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858140378 588935101 /nfs/dbraw/zinc/93/51/01/588935101.db2.gz CENHZNSUFHXJJE-JTQLQIEISA-N 1 0 216.756 2.201 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896826965 583836987 /nfs/dbraw/zinc/83/69/87/583836987.db2.gz HEBBFMJWEVRTGF-GFCCVEGCSA-N 1 0 236.359 2.060 20 30 BEEDRO C=C1CC(c2noc(C3(N(C)C)CC3)n2)C1 ZINC000896875670 583843660 /nfs/dbraw/zinc/84/36/60/583843660.db2.gz KNYWEPQHDHZXFZ-UHFFFAOYSA-N 1 0 219.288 2.054 20 30 BEEDRO CCCCCCCC[N@H+](C)CCC(N)=O ZINC000796589564 583863065 /nfs/dbraw/zinc/86/30/65/583863065.db2.gz FMXZLKRMQVEMBN-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO CCO[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000897067343 583876380 /nfs/dbraw/zinc/87/63/80/583876380.db2.gz HXHBUZVZFFOOSD-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cccc(OCC)c1O ZINC000897165721 583886706 /nfs/dbraw/zinc/88/67/06/583886706.db2.gz AVLDHGAZTKTTII-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO C#CCN(Cc1cn2cccc(F)c2n1)C(C)C ZINC000897171291 583888987 /nfs/dbraw/zinc/88/89/87/583888987.db2.gz VFMVUIAVHFIORM-UHFFFAOYSA-N 1 0 245.301 2.317 20 30 BEEDRO C#CC[N@@H+](Cc1cn(CC)nc1C)C(C)C ZINC000897171328 583889443 /nfs/dbraw/zinc/88/94/43/583889443.db2.gz WDZYOIMKPJZAIR-UHFFFAOYSA-N 1 0 219.332 2.055 20 30 BEEDRO CC1(C)CC[N@H+](CCNc2ccc(C#N)nc2)C1 ZINC000897248759 583902358 /nfs/dbraw/zinc/90/23/58/583902358.db2.gz AUDJSDOYPJUPFL-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C#CCC1([NH2+]Cc2cn(CC)nc2C)CCC1 ZINC000897350446 583928785 /nfs/dbraw/zinc/92/87/85/583928785.db2.gz BSCRCZPRLCPSAR-UHFFFAOYSA-N 1 0 231.343 2.247 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(OC)s2)CCC1 ZINC000897350394 583929001 /nfs/dbraw/zinc/92/90/01/583929001.db2.gz ALHHNBBEZNICSR-UHFFFAOYSA-N 1 0 236.340 2.187 20 30 BEEDRO C#CCC1([NH2+]C[C@@](C)(CC)OC)CCC1 ZINC000897351267 583929530 /nfs/dbraw/zinc/92/95/30/583929530.db2.gz ZATOVMMUORADHO-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H]1CCCC[C@H]1C ZINC000203025395 583962307 /nfs/dbraw/zinc/96/23/07/583962307.db2.gz WHGXFJQCJIVKNP-MNOVXSKESA-N 1 0 211.353 2.127 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CCCC[C@@H]1C ZINC000203026450 583962338 /nfs/dbraw/zinc/96/23/38/583962338.db2.gz ORLORRFPORZOLT-RYUDHWBXSA-N 1 0 225.380 2.373 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862548399 583963851 /nfs/dbraw/zinc/96/38/51/583963851.db2.gz FFRXMGPPPNSQSO-JQWIXIFHSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000862550510 583963914 /nfs/dbraw/zinc/96/39/14/583963914.db2.gz MOZFOPJSMQMLRK-ONGXEEELSA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000862548356 583963926 /nfs/dbraw/zinc/96/39/26/583963926.db2.gz DJNNYOYUAKJRDW-FDYHWXHSSA-N 1 0 209.333 2.049 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCCOc1ccccc1 ZINC000052092328 583975558 /nfs/dbraw/zinc/97/55/58/583975558.db2.gz LDJYFIJHOMEPSM-GFCCVEGCSA-N 1 0 218.300 2.347 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccoc1C ZINC000858334330 588946759 /nfs/dbraw/zinc/94/67/59/588946759.db2.gz MOLAUDVHTFOHJI-ZDUSSCGKSA-N 1 0 221.300 2.106 20 30 BEEDRO C#CC[N@@H+]1CCCO[C@@H](c2ccccc2)C1 ZINC000729852952 584027312 /nfs/dbraw/zinc/02/73/12/584027312.db2.gz YJRXNLPVISEJGO-CQSZACIVSA-N 1 0 215.296 2.083 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897685682 584039248 /nfs/dbraw/zinc/03/92/48/584039248.db2.gz PIWRXVMMSDBPGO-TZMCWYRMSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897685680 584039529 /nfs/dbraw/zinc/03/95/29/584039529.db2.gz PIWRXVMMSDBPGO-JSGCOSHPSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897685136 584040614 /nfs/dbraw/zinc/04/06/14/584040614.db2.gz DQQPJDUQCAOHQE-DOMZBBRYSA-N 1 0 247.338 2.064 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000897777892 584046032 /nfs/dbraw/zinc/04/60/32/584046032.db2.gz CFURGFGZLGTZFT-FEPKRQSRSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000897777895 584046049 /nfs/dbraw/zinc/04/60/49/584046049.db2.gz CFURGFGZLGTZFT-MRFVTOPCSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C1CCC(C(=O)NC[C@H](C)C[NH+](C)C)CC1 ZINC000897824200 584052009 /nfs/dbraw/zinc/05/20/09/584052009.db2.gz WYUPGQGCGDXVMN-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C1CC(CCO)C1 ZINC000898008278 584071105 /nfs/dbraw/zinc/07/11/05/584071105.db2.gz MHPIRULEAMMIMG-UHFFFAOYSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1CC(CCO)C1 ZINC000898015138 584074841 /nfs/dbraw/zinc/07/48/41/584074841.db2.gz KDZFUJAHCIMVOO-VOMCLLRMSA-N 1 0 224.348 2.065 20 30 BEEDRO CC1(C)CCN(CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000898034859 584079177 /nfs/dbraw/zinc/07/91/77/584079177.db2.gz ZESUEAJKZAODRP-UHFFFAOYSA-N 1 0 249.402 2.390 20 30 BEEDRO Cc1cc(C[NH2+]CC[C@@H](O)C2CC2)ccc1C#N ZINC000898204248 584091193 /nfs/dbraw/zinc/09/11/93/584091193.db2.gz QUTZHJWNOSAUGJ-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO Cc1ncccc1CC[NH2+]C[C@H](C)CCC#N ZINC000898252691 584101229 /nfs/dbraw/zinc/10/12/29/584101229.db2.gz FRDUJPQNEDBJKN-GFCCVEGCSA-N 1 0 231.343 2.462 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898376891 584113773 /nfs/dbraw/zinc/11/37/73/584113773.db2.gz PNFBMCUDLVAATH-KGYLQXTDSA-N 1 0 236.359 2.329 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cs1 ZINC000898376162 584113887 /nfs/dbraw/zinc/11/38/87/584113887.db2.gz KUQJSCLGIRZVBB-CHWSQXEVSA-N 1 0 248.351 2.134 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2COC[C@H]2C2CC2)C1 ZINC000898381690 584114497 /nfs/dbraw/zinc/11/44/97/584114497.db2.gz KYHKTEIQPUVPLU-VZZFWQQMSA-N 1 0 234.343 2.083 20 30 BEEDRO C=C(C)CON=C(N)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000842049074 584117924 /nfs/dbraw/zinc/11/79/24/584117924.db2.gz OQOXHMADFIKFMA-VXGBXAGGSA-N 1 0 239.363 2.324 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CC=C(C(=O)OC)C1 ZINC000858472132 588958228 /nfs/dbraw/zinc/95/82/28/588958228.db2.gz GTFFACXTGGSHQN-PWSUYJOCSA-N 1 0 223.316 2.193 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000898456414 584136621 /nfs/dbraw/zinc/13/66/21/584136621.db2.gz ATTVMSBRYQEBQN-UHFFFAOYSA-N 1 0 221.300 2.455 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000898456861 584136833 /nfs/dbraw/zinc/13/68/33/584136833.db2.gz HPEZWRZMHMIJOH-UHFFFAOYSA-N 1 0 237.299 2.429 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000898460218 584137550 /nfs/dbraw/zinc/13/75/50/584137550.db2.gz HKKFLEPQMFULNI-UHFFFAOYSA-N 1 0 246.310 2.186 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000898460592 584137750 /nfs/dbraw/zinc/13/77/50/584137750.db2.gz PIEMCGYYONUSJD-UHFFFAOYSA-N 1 0 236.315 2.164 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc(OC)s1 ZINC000898460833 584137812 /nfs/dbraw/zinc/13/78/12/584137812.db2.gz UHKACMWKIBPLRD-UHFFFAOYSA-N 1 0 212.318 2.206 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000898460599 584138076 /nfs/dbraw/zinc/13/80/76/584138076.db2.gz POPSHKLQSXRHTI-UHFFFAOYSA-N 1 0 247.264 2.493 20 30 BEEDRO N#CC[C@@H]1CC[C@H](Nc2cc[nH+]c(CO)c2)C1 ZINC000858561102 588966404 /nfs/dbraw/zinc/96/64/04/588966404.db2.gz XNKQILJGSVEHEG-QWRGUYRKSA-N 1 0 231.299 2.068 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCc2ccccc21 ZINC000899923037 584255568 /nfs/dbraw/zinc/25/55/68/584255568.db2.gz CWNDVWQCODHBQY-UHFFFAOYSA-N 1 0 244.338 2.084 20 30 BEEDRO C=CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000899921286 584256491 /nfs/dbraw/zinc/25/64/91/584256491.db2.gz APABEPJHFUFZRW-UHFFFAOYSA-N 1 0 243.310 2.207 20 30 BEEDRO C=C[C@H](CC)Cc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000900009730 584265295 /nfs/dbraw/zinc/26/52/95/584265295.db2.gz JHJVIPMYBUOVGG-ZJUUUORDSA-N 1 0 221.304 2.249 20 30 BEEDRO C=C[C@@H](CC)Cc1nc(CC2CC[NH2+]CC2)no1 ZINC000900017554 584266545 /nfs/dbraw/zinc/26/65/45/584266545.db2.gz LXJROFLXKCKJLC-NSHDSACASA-N 1 0 249.358 2.366 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)CCC ZINC000900193592 584284855 /nfs/dbraw/zinc/28/48/55/584284855.db2.gz OAMGDJHBOQIJSQ-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCC(C)(C)C1 ZINC000900679516 584341050 /nfs/dbraw/zinc/34/10/50/584341050.db2.gz MWEVZTBFPIITNN-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCCCC[C@H]1C ZINC000900716919 584344394 /nfs/dbraw/zinc/34/43/94/584344394.db2.gz DYCIRKOMPKKXQQ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C(C)C)C1CCC1 ZINC000900803234 584353556 /nfs/dbraw/zinc/35/35/56/584353556.db2.gz YSMJVLIQROYZNK-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000900988520 584372954 /nfs/dbraw/zinc/37/29/54/584372954.db2.gz LZVBGCGZFGTDRY-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1CC ZINC000901017903 584377355 /nfs/dbraw/zinc/37/73/55/584377355.db2.gz BPXYWAVEKWDTFD-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCC1=CCCC1 ZINC000901192546 584396581 /nfs/dbraw/zinc/39/65/81/584396581.db2.gz NUKKFPJBDQKJHJ-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO CCNN=C1CC[NH+](CCC(F)(F)F)CC1 ZINC000901281320 584414938 /nfs/dbraw/zinc/41/49/38/584414938.db2.gz NLCATDVODMDTSY-UHFFFAOYSA-N 1 0 237.269 2.000 20 30 BEEDRO CC(=NNC1CCC(C)(C)CC1)c1c[nH]c(N)[nH+]1 ZINC000901269808 584419008 /nfs/dbraw/zinc/41/90/08/584419008.db2.gz OGKACRKJVWGMFM-UHFFFAOYSA-N 1 0 249.362 2.274 20 30 BEEDRO CCNN=C1CCC(C)([NH+]2CCCC2)CC1 ZINC000901284957 584421408 /nfs/dbraw/zinc/42/14/08/584421408.db2.gz CZRFPFLYYCNZRS-UHFFFAOYSA-N 1 0 223.364 2.380 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC000901315535 584428507 /nfs/dbraw/zinc/42/85/07/584428507.db2.gz VTGQNUZSAAPFES-TZMCWYRMSA-N 1 0 248.370 2.180 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000901587592 584465386 /nfs/dbraw/zinc/46/53/86/584465386.db2.gz UMAZGZFCNQLDHT-LPEHRKFASA-N 1 0 245.248 2.218 20 30 BEEDRO C=CCCCCC[N@@H+](C)CN1C[C@@H]2C[C@@H]2C1=O ZINC000902156839 584532071 /nfs/dbraw/zinc/53/20/71/584532071.db2.gz JBLBBWYHYCCHQA-STQMWFEESA-N 1 0 236.359 2.100 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902490291 584627892 /nfs/dbraw/zinc/62/78/92/584627892.db2.gz MGZUEJCWFNSTGJ-IUCAKERBSA-N 1 0 225.361 2.416 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccccc1NC ZINC000902626403 584645647 /nfs/dbraw/zinc/64/56/47/584645647.db2.gz ASUHBLOCJFEFGT-CQSZACIVSA-N 1 0 246.354 2.246 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@H](C)[C@H](C)C1=O ZINC000902668726 584654012 /nfs/dbraw/zinc/65/40/12/584654012.db2.gz FFCJYVPBLRVHBR-STQMWFEESA-N 1 0 238.375 2.346 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@H](C)CC1=O ZINC000902668693 584654075 /nfs/dbraw/zinc/65/40/75/584654075.db2.gz DEFYOAIPRBYXRY-GFCCVEGCSA-N 1 0 224.348 2.100 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CCSC1=O ZINC000902668789 584654110 /nfs/dbraw/zinc/65/41/10/584654110.db2.gz GIXPWIDOZJQVIC-UHFFFAOYSA-N 1 0 228.361 2.401 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CC(F)(F)CC1=O ZINC000902669897 584654288 /nfs/dbraw/zinc/65/42/88/584654288.db2.gz UBKVNJRAIDKJRX-UHFFFAOYSA-N 1 0 246.301 2.100 20 30 BEEDRO CC[C@H]([NH2+]CCOC)c1cccc(C#N)c1 ZINC000902720373 584659592 /nfs/dbraw/zinc/65/95/92/584659592.db2.gz IRNIFHPIIDOONY-ZDUSSCGKSA-N 1 0 218.300 2.245 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cc(C#N)ccn1 ZINC000902759046 584665825 /nfs/dbraw/zinc/66/58/25/584665825.db2.gz ODDNHANHIKXEKL-YPMHNXCESA-N 1 0 245.326 2.030 20 30 BEEDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902784697 584666240 /nfs/dbraw/zinc/66/62/40/584666240.db2.gz XOWLFDRBURZAAV-QWRGUYRKSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC1)c1cc(C#N)ccn1 ZINC000902769220 584667491 /nfs/dbraw/zinc/66/74/91/584667491.db2.gz VUPPFFDZWGYXFX-SNVBAGLBSA-N 1 0 215.300 2.404 20 30 BEEDRO CCCCOCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902780175 584669709 /nfs/dbraw/zinc/66/97/09/584669709.db2.gz BAKBWZLLDJHAOB-GFCCVEGCSA-N 1 0 247.342 2.421 20 30 BEEDRO CC[C@@H]([NH2+]CC[C@@H](C)O)c1cccc(C#N)c1 ZINC000902804837 584671221 /nfs/dbraw/zinc/67/12/21/584671221.db2.gz WRNMECQGSHJXLH-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902808510 584672221 /nfs/dbraw/zinc/67/22/21/584672221.db2.gz JXNMDQPJTMFOLC-NXEZZACHSA-N 1 0 235.356 2.355 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1cc(C#N)ccn1 ZINC000902791068 584672539 /nfs/dbraw/zinc/67/25/39/584672539.db2.gz SVNRJYWSFDGHLW-LLVKDONJSA-N 1 0 228.299 2.298 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)O)c1cccc(C#N)c1 ZINC000902800864 584675350 /nfs/dbraw/zinc/67/53/50/584675350.db2.gz VRXNDFFFCOBNGL-CYBMUJFWSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H]([NH2+]CC1(CO)CC1)c1cccc(C#N)c1 ZINC000902829512 584677589 /nfs/dbraw/zinc/67/75/89/584677589.db2.gz AZTRJNXBROOWGF-AWEZNQCLSA-N 1 0 244.338 2.371 20 30 BEEDRO C[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cc(C#N)ccn1 ZINC000902839445 584679695 /nfs/dbraw/zinc/67/96/95/584679695.db2.gz REKKZQRXIKOPQG-BXUZGUMPSA-N 1 0 245.326 2.173 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902837158 584679762 /nfs/dbraw/zinc/67/97/62/584679762.db2.gz TUMPOLZFTXCTOF-ZJUUUORDSA-N 1 0 201.273 2.178 20 30 BEEDRO C[C@@H]([NH2+]C1CCSCC1)c1cc(C#N)ccn1 ZINC000902857434 584685861 /nfs/dbraw/zinc/68/58/61/584685861.db2.gz RYCLOTBIWLAPER-SNVBAGLBSA-N 1 0 247.367 2.499 20 30 BEEDRO COC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000902886890 584689219 /nfs/dbraw/zinc/68/92/19/584689219.db2.gz VSBDPRWHJRVQQN-IINYFYTJSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cc(C#N)ccn1 ZINC000902891924 584690307 /nfs/dbraw/zinc/69/03/07/584690307.db2.gz FBEICTCXHHGFDC-NQBHXWOUSA-N 1 0 245.326 2.171 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000902894106 584690766 /nfs/dbraw/zinc/69/07/66/584690766.db2.gz HZRLZROKNGRSIO-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)O)[C@@]1(C)CCCCO1 ZINC000902892917 584690805 /nfs/dbraw/zinc/69/08/05/584690805.db2.gz QNBLOCOUSIJODX-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902965952 584701727 /nfs/dbraw/zinc/70/17/27/584701727.db2.gz AZIMXVLTKODGKC-DCAQKATOSA-N 1 0 233.315 2.027 20 30 BEEDRO CCO[C@H]1CCC[C@@H]([NH2+]CCCC#N)C1 ZINC000902950742 584704353 /nfs/dbraw/zinc/70/43/53/584704353.db2.gz KZPVEYCCVBHFHL-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO CCO[C@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000902950773 584704372 /nfs/dbraw/zinc/70/43/72/584704372.db2.gz KZPVEYCCVBHFHL-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902951916 584704514 /nfs/dbraw/zinc/70/45/14/584704514.db2.gz SLRXBEFRSRWTTM-RNJOBUHISA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cc(C#N)ccn1 ZINC000902972850 584712815 /nfs/dbraw/zinc/71/28/15/584712815.db2.gz JPPMFUAYVQNVOP-GVXVVHGQSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902975081 584713462 /nfs/dbraw/zinc/71/34/62/584713462.db2.gz CDZHQQPYBPXPNE-JQWIXIFHSA-N 1 0 247.367 2.357 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cc(C#N)ccn1 ZINC000903015967 584713468 /nfs/dbraw/zinc/71/34/68/584713468.db2.gz HWFFBDQOJWBAAJ-NQBHXWOUSA-N 1 0 245.326 2.171 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C(C)(C)O ZINC000903000398 584715539 /nfs/dbraw/zinc/71/55/39/584715539.db2.gz JRTAITSDASVKPW-MFKMUULPSA-N 1 0 247.342 2.153 20 30 BEEDRO COCC(C)(C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903000645 584715826 /nfs/dbraw/zinc/71/58/26/584715826.db2.gz YCGHYLCAWNJURY-LLVKDONJSA-N 1 0 247.342 2.276 20 30 BEEDRO CO[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903001867 584715951 /nfs/dbraw/zinc/71/59/51/584715951.db2.gz YTJFWIQUISAFBX-QMTHXVAHSA-N 1 0 245.326 2.029 20 30 BEEDRO CO[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000903001868 584716448 /nfs/dbraw/zinc/71/64/48/584716448.db2.gz YTJFWIQUISAFBX-YGRLFVJLSA-N 1 0 245.326 2.029 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903006571 584716787 /nfs/dbraw/zinc/71/67/87/584716787.db2.gz KYJCMWLHEJQKGL-NEPJUHHUSA-N 1 0 247.342 2.155 20 30 BEEDRO C[C@@H](CCCO)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903004423 584716885 /nfs/dbraw/zinc/71/68/85/584716885.db2.gz AEJZGKGIUKDTSV-RYUDHWBXSA-N 1 0 247.342 2.012 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903004424 584717034 /nfs/dbraw/zinc/71/70/34/584717034.db2.gz AEJZGKGIUKDTSV-VXGBXAGGSA-N 1 0 247.342 2.012 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000903011407 584717272 /nfs/dbraw/zinc/71/72/72/584717272.db2.gz DYYSSARYUDEFRV-RWMBFGLXSA-N 1 0 223.360 2.482 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cccc(C#N)c1 ZINC000903014120 584718074 /nfs/dbraw/zinc/71/80/74/584718074.db2.gz NKUYLQKTGGLREW-MJBXVCDLSA-N 1 0 230.311 2.122 20 30 BEEDRO CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(C#N)CCC1 ZINC000903031804 584718418 /nfs/dbraw/zinc/71/84/18/584718418.db2.gz FRFZVHGCJQPOIB-CYBMUJFWSA-N 1 0 246.358 2.191 20 30 BEEDRO CCc1cnccc1[C@@H](C)[NH2+]CCO[C@H](C)C#N ZINC000801940314 584721734 /nfs/dbraw/zinc/72/17/34/584721734.db2.gz ZTJKKYSPYUAEKW-VXGBXAGGSA-N 1 0 247.342 2.223 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000903049873 584723523 /nfs/dbraw/zinc/72/35/23/584723523.db2.gz JNMIBZGFTKWWDC-RAIGVLPGSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cc(C#N)ccn1 ZINC000903046329 584723730 /nfs/dbraw/zinc/72/37/30/584723730.db2.gz ZVLQYJBQZDQCCR-PWSUYJOCSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H]1C)c1cc(C#N)ccn1 ZINC000903078009 584724678 /nfs/dbraw/zinc/72/46/78/584724678.db2.gz UADRYZBMEWWNFE-BIAAXOCRSA-N 1 0 245.326 2.170 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903073613 584726125 /nfs/dbraw/zinc/72/61/25/584726125.db2.gz RIDYOGZFIKMEJU-DGCLKSJQSA-N 1 0 247.342 2.155 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000903105198 584728213 /nfs/dbraw/zinc/72/82/13/584728213.db2.gz ADXIWUBVQUCVJE-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CC1)c1cc(F)ccc1O ZINC000903106187 584728372 /nfs/dbraw/zinc/72/83/72/584728372.db2.gz NFNKAGCVKKNVAR-VIFPVBQESA-N 1 0 234.274 2.486 20 30 BEEDRO CO[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000903200356 584735296 /nfs/dbraw/zinc/73/52/96/584735296.db2.gz QYYDXUHSPRBXJU-GJZGRUSLSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903218451 584737829 /nfs/dbraw/zinc/73/78/29/584737829.db2.gz LYROZVJQWSBMMT-RWMBFGLXSA-N 1 0 238.375 2.045 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903266548 584741582 /nfs/dbraw/zinc/74/15/82/584741582.db2.gz ZJPPQALJDQEQOJ-DEQVHRJGSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C)[C@@H]2C)C1 ZINC000903301305 584744868 /nfs/dbraw/zinc/74/48/68/584744868.db2.gz QCIZJDQDKPMWEQ-MQYQWHSLSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000903302058 584745175 /nfs/dbraw/zinc/74/51/75/584745175.db2.gz YFBJIZHPRFJJKC-RVMXOQNASA-N 1 0 210.365 2.269 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCN1C ZINC000903325371 584746436 /nfs/dbraw/zinc/74/64/36/584746436.db2.gz YMUJLUSMINFPRL-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(C#N)c(F)c1 ZINC000903324485 584747499 /nfs/dbraw/zinc/74/74/99/584747499.db2.gz UVKSIODPTITYJA-ZWNOBZJWSA-N 1 0 247.317 2.052 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C#N)cc1F ZINC000903316736 584749987 /nfs/dbraw/zinc/74/99/87/584749987.db2.gz GRQZWDXRDZBJJM-PWSUYJOCSA-N 1 0 247.317 2.052 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCN1C ZINC000903317032 584750297 /nfs/dbraw/zinc/75/02/97/584750297.db2.gz IFTADSJHYYGTDL-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cn(C)cn1)[C@H]1CCCO1 ZINC000903350350 584754628 /nfs/dbraw/zinc/75/46/28/584754628.db2.gz AWCRYQTUJYDCTA-UONOGXRCSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cn(C)cn1)C1CC1 ZINC000903352205 584755486 /nfs/dbraw/zinc/75/54/86/584755486.db2.gz UGYXEQFWNZCAKS-CYBMUJFWSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCCN(CC)C1=O ZINC000903392155 584756014 /nfs/dbraw/zinc/75/60/14/584756014.db2.gz NOXWDDMCWLWXGE-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc(C#N)c1 ZINC000903405537 584758485 /nfs/dbraw/zinc/75/84/85/584758485.db2.gz CUKGSCFDWRPZKY-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCN(Cc1ccccc1)C[C@H]1CCC[NH2+]1 ZINC000903431335 584761786 /nfs/dbraw/zinc/76/17/86/584761786.db2.gz SWEHZYREJASWFQ-OAHLLOKOSA-N 1 0 230.355 2.427 20 30 BEEDRO N#Cc1cc(Cl)cc(CN2CCC[NH2+]CC2)c1 ZINC000903421651 584764077 /nfs/dbraw/zinc/76/40/77/584764077.db2.gz QCIMDOXBUUAJOR-UHFFFAOYSA-N 1 0 249.745 2.007 20 30 BEEDRO CCCN(CC1CCC(C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000903423046 584764691 /nfs/dbraw/zinc/76/46/91/584764691.db2.gz OLDYSUGYVBJXNM-NRXISQOPSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@@H]1CCN[C@H](C)[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455160 584774015 /nfs/dbraw/zinc/77/40/15/584774015.db2.gz RWVWQVOEBBHTTM-WMUDQEJXSA-N 1 0 249.402 2.292 20 30 BEEDRO C[C@@H]1CCN[C@@H](C)[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903455157 584774071 /nfs/dbraw/zinc/77/40/71/584774071.db2.gz RWVWQVOEBBHTTM-ANLGBYQQSA-N 1 0 249.402 2.292 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1C[C@@H]([NH3+])C[C@H]1C ZINC000903477024 584777212 /nfs/dbraw/zinc/77/72/12/584777212.db2.gz RBXRWHFTKVNMSZ-OCCSQVGLSA-N 1 0 243.354 2.097 20 30 BEEDRO N#CC1CCC(CN2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000903476199 584777452 /nfs/dbraw/zinc/77/74/52/584777452.db2.gz QDWPZDUMQGPMGF-NEXFUWMNSA-N 1 0 247.386 2.143 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000903477023 584777456 /nfs/dbraw/zinc/77/74/56/584777456.db2.gz RBXRWHFTKVNMSZ-JSGCOSHPSA-N 1 0 243.354 2.097 20 30 BEEDRO CN(CCC[NH2+]C1CC1)Cc1cc(C#N)cs1 ZINC000903826536 584804855 /nfs/dbraw/zinc/80/48/55/584804855.db2.gz LMEWAYSSFYZCGP-UHFFFAOYSA-N 1 0 249.383 2.194 20 30 BEEDRO CCCCCCCN1CC[NH2+]C[C@@H]1CCOC ZINC000903832914 584805934 /nfs/dbraw/zinc/80/59/34/584805934.db2.gz SUYMOHUKFWDAEN-AWEZNQCLSA-N 1 0 242.407 2.267 20 30 BEEDRO C=C[C@@H]1CCCCN1C[C@@H]([NH3+])CC(F)F ZINC000903914747 584818719 /nfs/dbraw/zinc/81/87/19/584818719.db2.gz VUADETKZIDTJCT-VHSXEESVSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@@H](C)C[NH2+]C)no1 ZINC000904077254 584839822 /nfs/dbraw/zinc/83/98/22/584839822.db2.gz SHBLPCSPAJPNIR-VIFPVBQESA-N 1 0 223.320 2.147 20 30 BEEDRO C=CC[N@H+](Cc1cccs1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904303817 584862065 /nfs/dbraw/zinc/86/20/65/584862065.db2.gz IECSXFZYJBXWSO-TXEJJXNPSA-N 1 0 236.384 2.473 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC1(C)C ZINC000876668071 584886501 /nfs/dbraw/zinc/88/65/01/584886501.db2.gz GDNONPJZUMSOEX-VHSXEESVSA-N 1 0 244.766 2.151 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1)C1CCOCC1 ZINC000827571289 584899553 /nfs/dbraw/zinc/89/95/53/584899553.db2.gz YLGGGLSXZCVFNM-OAHLLOKOSA-N 1 0 229.323 2.205 20 30 BEEDRO C#CC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000830321540 584908133 /nfs/dbraw/zinc/90/81/33/584908133.db2.gz QGTAAPVTMHOEPF-MRXNPFEDSA-N 1 0 243.350 2.239 20 30 BEEDRO CCOCCO[NH+]=C1CCCc2cc(N)ccc21 ZINC000834968369 584915720 /nfs/dbraw/zinc/91/57/20/584915720.db2.gz BAUCCUQVODAEKN-UHFFFAOYSA-N 1 0 248.326 2.362 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCCC[C@H]1C ZINC000834971457 584916283 /nfs/dbraw/zinc/91/62/83/584916283.db2.gz WUKATWWWZRJHKV-JFGNBEQYSA-N 1 0 236.363 2.126 20 30 BEEDRO CC(=[NH+]OC[C@H]1CCOC1)c1ccc(N)cc1C ZINC000788030151 584920178 /nfs/dbraw/zinc/92/01/78/584920178.db2.gz KJTFWWXNOOIHHP-LBPRGKRZSA-N 1 0 248.326 2.354 20 30 BEEDRO Cc1cc(N)cc(C)c1C=[NH+]OC[C@H]1CCOC1 ZINC000788036380 584927691 /nfs/dbraw/zinc/92/76/91/584927691.db2.gz IMNXEEQYCJJKPP-LBPRGKRZSA-N 1 0 248.326 2.273 20 30 BEEDRO CC(=[NH+]NC12CC(C1)C2)c1ccc(N)cc1 ZINC000842547619 584941722 /nfs/dbraw/zinc/94/17/22/584941722.db2.gz RAMLVVLXJJFSSC-UHFFFAOYSA-N 1 0 215.300 2.135 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000884302842 584949528 /nfs/dbraw/zinc/94/95/28/584949528.db2.gz ZYCFFKHHWAYMMA-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000734161735 584959054 /nfs/dbraw/zinc/95/90/54/584959054.db2.gz XZTNWNNKQOOMIL-OAHLLOKOSA-N 1 0 247.338 2.112 20 30 BEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@@H]1CC12CC2 ZINC000817721079 584988456 /nfs/dbraw/zinc/98/84/56/584988456.db2.gz CTJLETWKEHCRRO-STQMWFEESA-N 1 0 249.354 2.063 20 30 BEEDRO COC[C@H](C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000755892362 584997224 /nfs/dbraw/zinc/99/72/24/584997224.db2.gz NNDQMJYRCPLDGT-LLVKDONJSA-N 1 0 244.298 2.062 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000886005451 585034045 /nfs/dbraw/zinc/03/40/45/585034045.db2.gz BDGCQLBIHNPZLW-CQSZACIVSA-N 1 0 248.370 2.329 20 30 BEEDRO CC(C)(C)C#CC(=O)OCC[NH+]1CCCCC1 ZINC000838371163 585055291 /nfs/dbraw/zinc/05/52/91/585055291.db2.gz DBWUDBUUEFGWDT-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000103121789 585063088 /nfs/dbraw/zinc/06/30/88/585063088.db2.gz ROHFKMVBPYCCOZ-LBPRGKRZSA-N 1 0 249.420 2.370 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)C1CC1)C1CCCCC1 ZINC000838800245 585069026 /nfs/dbraw/zinc/06/90/26/585069026.db2.gz VCMNGJMAWXEFAI-CQSZACIVSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CCCC(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788117456 585073545 /nfs/dbraw/zinc/07/35/45/585073545.db2.gz LLTHUOYEUYRNMK-NEPJUHHUSA-N 1 0 223.316 2.123 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)C[C@H](O)C1CC1 ZINC000838865982 585076245 /nfs/dbraw/zinc/07/62/45/585076245.db2.gz UHHOZVYHWLXGIY-ZDUSSCGKSA-N 1 0 224.348 2.019 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000838971022 585083161 /nfs/dbraw/zinc/08/31/61/585083161.db2.gz JTGCAHXVHFNIES-UHFFFAOYSA-N 1 0 214.312 2.073 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000839040356 585086433 /nfs/dbraw/zinc/08/64/33/585086433.db2.gz XUDBQFLSGWULAX-LLVKDONJSA-N 1 0 242.278 2.293 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000839016095 585087202 /nfs/dbraw/zinc/08/72/02/585087202.db2.gz WUBPHMPLOZZOTG-QWHCGFSZSA-N 1 0 219.328 2.090 20 30 BEEDRO C#CC[N@@H+](CC(C)(C)CC(=O)OCC)C1CC1 ZINC000839012690 585087405 /nfs/dbraw/zinc/08/74/05/585087405.db2.gz GGLBXFWGAAWDPP-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCC[C@@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000839040570 585087502 /nfs/dbraw/zinc/08/75/02/585087502.db2.gz ZTHGAHPSJGWAJM-GFCCVEGCSA-N 1 0 249.354 2.206 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC000839098139 585090887 /nfs/dbraw/zinc/09/08/87/585090887.db2.gz IJGPYGWNBQRYPJ-GFCCVEGCSA-N 1 0 238.375 2.380 20 30 BEEDRO COc1cccc(O)c1C[NH2+]CC(C)(C)CC#N ZINC000839162636 585098124 /nfs/dbraw/zinc/09/81/24/585098124.db2.gz BKDHMNZVWVCOQA-UHFFFAOYSA-N 1 0 248.326 2.430 20 30 BEEDRO c1nncn1[NH+]=C1CC[C@@H]2CCCC[C@@H]2C1 ZINC000839382214 585101911 /nfs/dbraw/zinc/10/19/11/585101911.db2.gz RRYXPESALTYNIK-WDEREUQCSA-N 1 0 218.304 2.473 20 30 BEEDRO C=C(C)[C@H]1CC=C(C)C(=[NH+]n2cnnc2)C1 ZINC000839381457 585101955 /nfs/dbraw/zinc/10/19/55/585101955.db2.gz JMJJKZBTHVJNAS-NSHDSACASA-N 1 0 216.288 2.415 20 30 BEEDRO C=CC[N@H+](Cc1ccnc(N)c1)C(C)C ZINC000839467520 585104782 /nfs/dbraw/zinc/10/47/82/585104782.db2.gz UXZXBJJLQUSTJZ-UHFFFAOYSA-N 1 0 205.305 2.060 20 30 BEEDRO CC[N@@H+]1CCC(=NNC2CCCC2)[C@@H](C)C1 ZINC000741463820 585113441 /nfs/dbraw/zinc/11/34/41/585113441.db2.gz JWIQUZRMGWXFGO-NSHDSACASA-N 1 0 223.364 2.236 20 30 BEEDRO CCCCCCC[N@H+](CC)CC(=O)N(C)C ZINC000741788141 585118870 /nfs/dbraw/zinc/11/88/70/585118870.db2.gz OCDYCWUZQXGIFK-UHFFFAOYSA-N 1 0 228.380 2.367 20 30 BEEDRO Cc1ccc([C@H]2CCCC2N=NC(N)=[NH2+])cc1 ZINC000741837741 585120175 /nfs/dbraw/zinc/12/01/75/585120175.db2.gz MLGBZNMPIBAKFC-LLVKDONJSA-N 1 0 230.315 2.102 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1 ZINC000886364117 585134632 /nfs/dbraw/zinc/13/46/32/585134632.db2.gz PEENYMJONAAFPV-HUUCEWRRSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CCN(CC#CC)Cc1cccc(F)c1 ZINC000743852313 585140920 /nfs/dbraw/zinc/14/09/20/585140920.db2.gz LRTUTVMOSSJTQO-UHFFFAOYSA-N 1 0 215.271 2.284 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@H]([C@H]3CCCO3)C2)CC1 ZINC000886819771 585180100 /nfs/dbraw/zinc/18/01/00/585180100.db2.gz WYVUYBVJQXHMMF-QWHCGFSZSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CCCCC(=O)N1CCC12CC[NH+](C)CC2 ZINC000748326678 585190573 /nfs/dbraw/zinc/19/05/73/585190573.db2.gz ZSHPVFZODREMCB-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO COCCON=C1CC[NH+](C2CCCC2)CC1 ZINC000748789678 585196037 /nfs/dbraw/zinc/19/60/37/585196037.db2.gz NITNJPYERNWDSF-UHFFFAOYSA-N 1 0 240.347 2.044 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H](O)c2ccco2)s1 ZINC000749109428 585199203 /nfs/dbraw/zinc/19/92/03/585199203.db2.gz OSULFVIBOYSFQM-NSHDSACASA-N 1 0 248.307 2.036 20 30 BEEDRO C#CC[N@H+](CC)CCCOc1ccc(C#N)cc1 ZINC000749155582 585199973 /nfs/dbraw/zinc/19/99/73/585199973.db2.gz WCUSWBCEBUAXRT-UHFFFAOYSA-N 1 0 242.322 2.282 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1cc2cc(C)c(C)cc2o1 ZINC000749157001 585200000 /nfs/dbraw/zinc/20/00/00/585200000.db2.gz CMNIFAAFZXNRCE-UHFFFAOYSA-N 1 0 244.298 2.257 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000749562700 585203697 /nfs/dbraw/zinc/20/36/97/585203697.db2.gz RPROSOURNDYJDP-NEPJUHHUSA-N 1 0 229.751 2.487 20 30 BEEDRO C[C@H]1CC(N=NC(N)=[NH2+])C[C@H](c2ccccc2)C1 ZINC000749853065 585207648 /nfs/dbraw/zinc/20/76/48/585207648.db2.gz BOTYBINNBFBHNG-ZYHUDNBSSA-N 1 0 244.342 2.429 20 30 BEEDRO C[C@@H]1CC(N=NC(N)=[NH2+])C[C@H](c2ccccc2)C1 ZINC000749853055 585207675 /nfs/dbraw/zinc/20/76/75/585207675.db2.gz BOTYBINNBFBHNG-CMPLNLGQSA-N 1 0 244.342 2.429 20 30 BEEDRO C=CC1CC[NH+](CCCCCCO)CC1 ZINC000750185930 585212074 /nfs/dbraw/zinc/21/20/74/585212074.db2.gz WRYFKTVFVSNYED-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO CNC(NCc1ccc(OC(C)(C)C)cc1)=[NH+]C ZINC000750544627 585217296 /nfs/dbraw/zinc/21/72/96/585217296.db2.gz MTGBGZVAHPVVCY-UHFFFAOYSA-N 1 0 249.358 2.159 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC#N)[C@@H](C)c1ccccc1 ZINC000809578646 585224097 /nfs/dbraw/zinc/22/40/97/585224097.db2.gz PAISTVICMZQUCL-YRGRVCCFSA-N 1 0 232.327 2.043 20 30 BEEDRO Cc1ccc(N=NC2C[N@@H+](C)C[C@H]2C)cc1 ZINC000752156482 585242702 /nfs/dbraw/zinc/24/27/02/585242702.db2.gz AEBMSZBHAIRVTI-LLVKDONJSA-N 1 0 217.316 2.344 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ncccc1Cl ZINC000752163936 585243136 /nfs/dbraw/zinc/24/31/36/585243136.db2.gz GCYAXZVFHSDELJ-MRVPVSSYSA-N 1 0 238.722 2.084 20 30 BEEDRO C[C@H](N=NC1C[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000752165382 585243362 /nfs/dbraw/zinc/24/33/62/585243362.db2.gz WNSJPQIJPIURRD-RYUDHWBXSA-N 1 0 231.343 2.275 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1c(F)cccc1F ZINC000752166505 585243414 /nfs/dbraw/zinc/24/34/14/585243414.db2.gz WJUBLKRGYUAYJC-QMMMGPOBSA-N 1 0 239.269 2.314 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCCC[C@H]1C ZINC000753545785 585261130 /nfs/dbraw/zinc/26/11/30/585261130.db2.gz GWVOHYNLNGYTLC-KGLIPLIRSA-N 1 0 203.329 2.381 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000753589643 585263099 /nfs/dbraw/zinc/26/30/99/585263099.db2.gz LJKXOPJRSYIKEU-KBPBESRZSA-N 1 0 231.339 2.418 20 30 BEEDRO C#CC[N@@H+](CCC(=O)C(C)(C)C)C1CC1 ZINC000753764541 585268495 /nfs/dbraw/zinc/26/84/95/585268495.db2.gz GHUPOMGGGAFASO-UHFFFAOYSA-N 1 0 207.317 2.089 20 30 BEEDRO CC(C)C1CC([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000754103644 585278466 /nfs/dbraw/zinc/27/84/66/585278466.db2.gz YZNXHTTZFIXWHB-UHFFFAOYSA-N 1 0 229.327 2.477 20 30 BEEDRO C=CC1CC[NH+](CCC2OCCCO2)CC1 ZINC000754650180 585288668 /nfs/dbraw/zinc/28/86/68/585288668.db2.gz FDUFRTDWODIJCJ-UHFFFAOYSA-N 1 0 225.332 2.038 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]Cc1cc[nH]c1 ZINC000754887350 585292145 /nfs/dbraw/zinc/29/21/45/585292145.db2.gz BVIFFASFVGBJRC-UHFFFAOYSA-N 1 0 240.306 2.317 20 30 BEEDRO C#CCCC[N@@H+](CCC)CC(=O)OC(C)(C)C ZINC000755314506 585297574 /nfs/dbraw/zinc/29/75/74/585297574.db2.gz BZBNITDALFLASG-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO Cc1[nH]cnc1C=NNCc1cccc(C)c1 ZINC000755773213 585306922 /nfs/dbraw/zinc/30/69/22/585306922.db2.gz DUWNBVSCXUIQEC-UHFFFAOYSA-N 1 0 228.299 2.150 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)CCC ZINC000756552812 585320983 /nfs/dbraw/zinc/32/09/83/585320983.db2.gz KMXKNQLWPPCTPA-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CCC1CCC1 ZINC000756553704 585321092 /nfs/dbraw/zinc/32/10/92/585321092.db2.gz VDJAOESRMLJXLN-CQSZACIVSA-N 1 0 249.354 2.208 20 30 BEEDRO C#CC[C@H]([NH2+]Cc1cncnc1)c1ccccc1 ZINC000756997530 585326223 /nfs/dbraw/zinc/32/62/23/585326223.db2.gz WOWWHNPOLAQMHN-HNNXBMFYSA-N 1 0 237.306 2.331 20 30 BEEDRO C=C[C@@H](C)NC(=O)C[N@@H+](C)CCCCCC ZINC000757011117 585326565 /nfs/dbraw/zinc/32/65/65/585326565.db2.gz XUWWZPICLPBUEE-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000839618485 585332264 /nfs/dbraw/zinc/33/22/64/585332264.db2.gz KDAIWFUQSAKFQY-JTQLQIEISA-N 1 0 215.724 2.118 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000839655941 585333894 /nfs/dbraw/zinc/33/38/94/585333894.db2.gz KVHFNBMCLRPBIO-VIFPVBQESA-N 1 0 203.713 2.286 20 30 BEEDRO C[C@@H]1CC(N=NC2CC2)C[N@@H+]1Cc1ccccc1 ZINC000758133799 585350412 /nfs/dbraw/zinc/35/04/12/585350412.db2.gz UMOCKWZPLXMVLU-GFCCVEGCSA-N 1 0 243.354 2.389 20 30 BEEDRO C[C@@H]([N@H+](C)Cn1cccc(C#N)c1=O)C(C)(C)C ZINC000758188078 585351417 /nfs/dbraw/zinc/35/14/17/585351417.db2.gz YFPQAXGIOOKAJM-LLVKDONJSA-N 1 0 247.342 2.044 20 30 BEEDRO CCCN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758372287 585355011 /nfs/dbraw/zinc/35/50/11/585355011.db2.gz LAMALBGRZXDPKF-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CCCCN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758371486 585355040 /nfs/dbraw/zinc/35/50/40/585355040.db2.gz BYJPEXYLAWSODI-UHFFFAOYSA-N 1 0 246.358 2.405 20 30 BEEDRO CCCCCCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000759521351 585374471 /nfs/dbraw/zinc/37/44/71/585374471.db2.gz XGFZGQTWDZOLTL-UHFFFAOYSA-N 1 0 222.336 2.133 20 30 BEEDRO CC(C)c1ccc(CC=[NH+]n2cnnc2)cc1 ZINC000760241339 585387245 /nfs/dbraw/zinc/38/72/45/585387245.db2.gz BSDVNJVMXWXQFB-UHFFFAOYSA-N 1 0 228.299 2.478 20 30 BEEDRO C#CCC[N@@H+](C[C@H](C)O)C1CCCCC1 ZINC000760830194 585398408 /nfs/dbraw/zinc/39/84/08/585398408.db2.gz KZFDIBTVMOCUGM-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCC[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000760842025 585399046 /nfs/dbraw/zinc/39/90/46/585399046.db2.gz UQEZFOLKTOGGPI-DGCLKSJQSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[NH2+]C1(c2ccccc2)CCOCC1 ZINC000760857371 585399933 /nfs/dbraw/zinc/39/99/33/585399933.db2.gz OCSMOBLPAKSTIE-UHFFFAOYSA-N 1 0 229.323 2.305 20 30 BEEDRO C[C@H]1CC(N=Nc2nc3ccccc3[nH]2)C[N@@H+]1C ZINC000761795247 585418541 /nfs/dbraw/zinc/41/85/41/585418541.db2.gz YIEQFAQARCZBDZ-VIFPVBQESA-N 1 0 243.314 2.055 20 30 BEEDRO Cc1cccc(N=NC2C[C@H](C)[N@@H+](C)C2)c1 ZINC000761792648 585418595 /nfs/dbraw/zinc/41/85/95/585418595.db2.gz FMKKFVDJWOOUSX-NSHDSACASA-N 1 0 217.316 2.487 20 30 BEEDRO Cc1cccc(N=NC2C[C@@H](C)[N@@H+](C)C2)c1 ZINC000761792645 585418629 /nfs/dbraw/zinc/41/86/29/585418629.db2.gz FMKKFVDJWOOUSX-LLVKDONJSA-N 1 0 217.316 2.487 20 30 BEEDRO C[C@H]1CC(N=Nc2ccccc2)C[N@@H+]1C ZINC000761794975 585418769 /nfs/dbraw/zinc/41/87/69/585418769.db2.gz UEZVTRNAUYCELI-JTQLQIEISA-N 1 0 203.289 2.179 20 30 BEEDRO C[C@H]1CC(N=Nc2ccccc2F)C[N@@H+]1C ZINC000761803525 585418932 /nfs/dbraw/zinc/41/89/32/585418932.db2.gz CFIVZYVVKGRCEH-VIFPVBQESA-N 1 0 221.279 2.318 20 30 BEEDRO CCCCCCCCNC(=O)NCC[NH+](C)C ZINC000762423562 585431908 /nfs/dbraw/zinc/43/19/08/585431908.db2.gz IRRSYEGJFFUPLK-UHFFFAOYSA-N 1 0 243.395 2.208 20 30 BEEDRO CCCCCCCC[N@H+](C)[C@]1(CO)CCOC1 ZINC000763886344 585456065 /nfs/dbraw/zinc/45/60/65/585456065.db2.gz USPREDGPBOSIKD-AWEZNQCLSA-N 1 0 243.391 2.430 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000763899102 585456455 /nfs/dbraw/zinc/45/64/55/585456455.db2.gz BCLKOAMTKUXGLX-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO C#CC[N@@H+](CCN(C)c1ccccc1)C1CC1 ZINC000763950644 585457604 /nfs/dbraw/zinc/45/76/04/585457604.db2.gz NHGCDFIGFZLIQF-UHFFFAOYSA-N 1 0 228.339 2.220 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000764070786 585459098 /nfs/dbraw/zinc/45/90/98/585459098.db2.gz PZCSYRWHNJFMFA-LBPRGKRZSA-N 1 0 244.338 2.082 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000764154079 585459976 /nfs/dbraw/zinc/45/99/76/585459976.db2.gz YCYQWBRSWHIJIP-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCCCC ZINC000764151067 585460974 /nfs/dbraw/zinc/46/09/74/585460974.db2.gz MPZWIGJEGASVHD-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)[C@@H]1CCCCC1=[NH+]n1cnnc1 ZINC000764641802 585470031 /nfs/dbraw/zinc/47/00/31/585470031.db2.gz SDCPDXISJNVQKD-JTQLQIEISA-N 1 0 206.293 2.328 20 30 BEEDRO Fc1ccccc1N=NC1CC[N@@H+]2CCC[C@H]12 ZINC000765572906 585489890 /nfs/dbraw/zinc/48/98/90/585489890.db2.gz PRSPVZBFUJTQSW-CYBMUJFWSA-N 1 0 233.290 2.462 20 30 BEEDRO C#CCOc1ccccc1C[N@H+](C)CCCF ZINC000766074044 585497379 /nfs/dbraw/zinc/49/73/79/585497379.db2.gz ZPAXBPYHMPRADF-UHFFFAOYSA-N 1 0 235.302 2.490 20 30 BEEDRO CCCCCCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000766268293 585499347 /nfs/dbraw/zinc/49/93/47/585499347.db2.gz CWOLOJKDVOKNIN-CYBMUJFWSA-N 1 0 238.375 2.263 20 30 BEEDRO C=C(Cl)CN1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000766250680 585499574 /nfs/dbraw/zinc/49/95/74/585499574.db2.gz AJTUJJYGJUOZKF-WDEREUQCSA-N 1 0 216.756 2.153 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCNc1ncccn1 ZINC000766515305 585503726 /nfs/dbraw/zinc/50/37/26/585503726.db2.gz CJBHYAAONKRRHT-CHWSQXEVSA-N 1 0 248.374 2.469 20 30 BEEDRO C#CCCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000766901997 585510460 /nfs/dbraw/zinc/51/04/60/585510460.db2.gz CBSLGHTYLWRQML-CQSZACIVSA-N 1 0 231.339 2.283 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000766905237 585510827 /nfs/dbraw/zinc/51/08/27/585510827.db2.gz IEPHCXTYQOZOHM-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCC[N@@H+](C)CCC1CCOCC1 ZINC000766906532 585511220 /nfs/dbraw/zinc/51/12/20/585511220.db2.gz QVANQUYTHFSUKK-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCC[N@@H+](C)C1CCC(OC)CC1 ZINC000766906774 585511296 /nfs/dbraw/zinc/51/12/96/585511296.db2.gz VGUCOYZGBMNHKC-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000766923382 585511766 /nfs/dbraw/zinc/51/17/66/585511766.db2.gz NUZOJCKYDKIRGS-UHFFFAOYSA-N 1 0 239.322 2.376 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000766937357 585512014 /nfs/dbraw/zinc/51/20/14/585512014.db2.gz LQYJCEHXFKKPIO-YPMHNXCESA-N 1 0 228.295 2.161 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000766937356 585512250 /nfs/dbraw/zinc/51/22/50/585512250.db2.gz LQYJCEHXFKKPIO-WCQYABFASA-N 1 0 228.295 2.161 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC2(CCCC2)C1 ZINC000767117672 585514580 /nfs/dbraw/zinc/51/45/80/585514580.db2.gz HMGLIPGOQXXJAS-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO COc1ccc(N=NC(C)CC[NH+](C)C)cc1 ZINC000767388439 585518959 /nfs/dbraw/zinc/51/89/59/585518959.db2.gz UNTTUJQDQZMACM-UHFFFAOYSA-N 1 0 235.331 2.435 20 30 BEEDRO Cc1cc(C[NH2+][C@@](C)(CO)C2CC2)ccc1C#N ZINC000767692943 585524829 /nfs/dbraw/zinc/52/48/29/585524829.db2.gz YDNBEWKCQYDCME-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO CCOC(C[NH+]1CCC(C)(C#N)CC1)OCC ZINC000767815047 585526714 /nfs/dbraw/zinc/52/67/14/585526714.db2.gz ASJIEYYMZPTMHV-UHFFFAOYSA-N 1 0 240.347 2.011 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(OCC)cc1O ZINC000769105732 585548982 /nfs/dbraw/zinc/54/89/82/585548982.db2.gz PGZUXCUFOJWGDU-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(OCC)ccc1O ZINC000769110431 585549119 /nfs/dbraw/zinc/54/91/19/585549119.db2.gz FKRGHSZNGDYXMW-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO C#CCCC[N@@H+]1CC[S@@](=O)C(CC)(CC)C1 ZINC000769231129 585551653 /nfs/dbraw/zinc/55/16/53/585551653.db2.gz YCYFFZQKANAMCK-MRXNPFEDSA-N 1 0 241.400 2.023 20 30 BEEDRO C#CC[NH+](CC#C)CC1CCC(C)CC1 ZINC000769442356 585556299 /nfs/dbraw/zinc/55/62/99/585556299.db2.gz JJUMJAOHTRNAEP-UHFFFAOYSA-N 1 0 203.329 2.381 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000769798582 585563957 /nfs/dbraw/zinc/56/39/57/585563957.db2.gz BOVVXQUSQYKCIU-OCCSQVGLSA-N 1 0 236.359 2.021 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@]1(CO)CCC ZINC000769912150 585566118 /nfs/dbraw/zinc/56/61/18/585566118.db2.gz CEAVUTLZMUUVBW-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c(O)c1 ZINC000769940753 585566815 /nfs/dbraw/zinc/56/68/15/585566815.db2.gz BGVPJNFHFATHMO-PWSUYJOCSA-N 1 0 246.310 2.183 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(O)c1 ZINC000769940750 585566817 /nfs/dbraw/zinc/56/68/17/585566817.db2.gz BGVPJNFHFATHMO-CMPLNLGQSA-N 1 0 246.310 2.183 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1ccccc1C ZINC000769960949 585567509 /nfs/dbraw/zinc/56/75/09/585567509.db2.gz GWUUPUYJDPOTTG-ZDUSSCGKSA-N 1 0 217.312 2.327 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCOCc1ccc(OC)cc1 ZINC000769961613 585567544 /nfs/dbraw/zinc/56/75/44/585567544.db2.gz RXENQNJKDCLDQV-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCCOc1ccc(OC)cc1 ZINC000769978038 585568180 /nfs/dbraw/zinc/56/81/80/585568180.db2.gz NWCXGBYUIXLZLZ-ZDUSSCGKSA-N 1 0 247.338 2.418 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000770028684 585569656 /nfs/dbraw/zinc/56/96/56/585569656.db2.gz MMPLNHREOXOCRT-ZDUSSCGKSA-N 1 0 231.343 2.013 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H]1CCC[C@@H](C)C1 ZINC000771445635 585594353 /nfs/dbraw/zinc/59/43/53/585594353.db2.gz DRQRMJDXTBKVTH-KGLIPLIRSA-N 1 0 203.329 2.381 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1 ZINC000771860406 585602871 /nfs/dbraw/zinc/60/28/71/585602871.db2.gz YBIWZRPCNZCDPT-UKRRQHHQSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)c1ccccc1 ZINC000773108397 585631336 /nfs/dbraw/zinc/63/13/36/585631336.db2.gz XQBBIIJGFULZTK-VNQPRFMTSA-N 1 0 242.366 2.291 20 30 BEEDRO CC1(O)CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000774213111 585653920 /nfs/dbraw/zinc/65/39/20/585653920.db2.gz KYFOHGOOTFDNTD-RJZJGCCBSA-N 1 0 236.359 2.352 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000774212471 585653940 /nfs/dbraw/zinc/65/39/40/585653940.db2.gz KJBGPHADAAIDEB-JTQLQIEISA-N 1 0 235.283 2.130 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000774269098 585655434 /nfs/dbraw/zinc/65/54/34/585655434.db2.gz HOWQCDHUQVSHGK-WDEREUQCSA-N 1 0 233.290 2.393 20 30 BEEDRO COCCO[NH+]=C1CCCNc2ccccc21 ZINC000774387902 585657294 /nfs/dbraw/zinc/65/72/94/585657294.db2.gz KKJRASGOJISDHA-UHFFFAOYSA-N 1 0 234.299 2.259 20 30 BEEDRO CCOCCON=C1CC[NH+](C(C)(C)C)CC1 ZINC000774419051 585658499 /nfs/dbraw/zinc/65/84/99/585658499.db2.gz ZYCMNVAAZMQMCN-UHFFFAOYSA-N 1 0 242.363 2.290 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000775342695 585676244 /nfs/dbraw/zinc/67/62/44/585676244.db2.gz SOTUFVSDXYXMKC-ZIAGYGMSSA-N 1 0 233.286 2.096 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@](C)(CC)c1ccccc1 ZINC000775386925 585677075 /nfs/dbraw/zinc/67/70/75/585677075.db2.gz HIPGOOBSPCHIGM-OAHLLOKOSA-N 1 0 246.354 2.204 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1cccs1)[C@H]1CCCO1 ZINC000775571286 585680340 /nfs/dbraw/zinc/68/03/40/585680340.db2.gz DSVDOZOEMLYNBH-KWCYVHTRSA-N 1 0 249.379 2.450 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@H]1CCCO1 ZINC000775572383 585680444 /nfs/dbraw/zinc/68/04/44/585680444.db2.gz ALQBMWKTAVARLQ-ARFHVFGLSA-N 1 0 241.334 2.444 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCC(F)(F)F)[C@@H]1CCCO1 ZINC000775788109 585684888 /nfs/dbraw/zinc/68/48/88/585684888.db2.gz CLIKQIDIUFVGAR-MNOVXSKESA-N 1 0 249.276 2.489 20 30 BEEDRO C#C[C@H]([NH2+]CCCc1ccccc1)[C@H]1CCCO1 ZINC000775794846 585685158 /nfs/dbraw/zinc/68/51/58/585685158.db2.gz KOXJJJNVOFJIKR-JKSUJKDBSA-N 1 0 243.350 2.390 20 30 BEEDRO C#C[C@@H]([NH2+]CCCc1ccsc1)[C@H]1CCCO1 ZINC000775804867 585685714 /nfs/dbraw/zinc/68/57/14/585685714.db2.gz CQLOPIHZNFDNLB-ZIAGYGMSSA-N 1 0 249.379 2.451 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775834711 585685953 /nfs/dbraw/zinc/68/59/53/585685953.db2.gz PFBQHBUZIYXLIY-ZDUSSCGKSA-N 1 0 246.354 2.053 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000775837950 585686049 /nfs/dbraw/zinc/68/60/49/585686049.db2.gz WAFYOPGPQXJRBH-SWLSCSKDSA-N 1 0 248.370 2.340 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cn1)C(C)C ZINC000775940951 585688243 /nfs/dbraw/zinc/68/82/43/585688243.db2.gz IRQULJGICQHQJS-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C#N)CC2)c1 ZINC000776007979 585689068 /nfs/dbraw/zinc/68/90/68/585689068.db2.gz OPNMKQBLNUIPQS-SNVBAGLBSA-N 1 0 246.310 2.355 20 30 BEEDRO CN(C)c1ccncc1C=[NH+]NC1CCCC1 ZINC000776180689 585691692 /nfs/dbraw/zinc/69/16/92/585691692.db2.gz OXTALTLPWYZWDT-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CC(C)CON=Cc1c[nH+]ccc1N(C)C ZINC000776188080 585692440 /nfs/dbraw/zinc/69/24/40/585692440.db2.gz VMZJGGXHTDSSRV-UHFFFAOYSA-N 1 0 221.304 2.154 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(C#N)cc1C ZINC000776743611 585703984 /nfs/dbraw/zinc/70/39/84/585703984.db2.gz REBSOTQRXVSBTN-UHFFFAOYSA-N 1 0 217.272 2.275 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CCOCC[C@@H]1C ZINC000776798702 585705689 /nfs/dbraw/zinc/70/56/89/585705689.db2.gz MQQNHGQFMJSINI-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO COc1ccc(CCC=[NH+]n2cnnc2)c(C)c1 ZINC000777420456 585711836 /nfs/dbraw/zinc/71/18/36/585711836.db2.gz JQLCOJYJRQLFMO-UHFFFAOYSA-N 1 0 244.298 2.062 20 30 BEEDRO CC(C[NH+]1CCCCCC1)N=Nc1cccnn1 ZINC000777438282 585712206 /nfs/dbraw/zinc/71/22/06/585712206.db2.gz SULWCXSZSQPUSN-UHFFFAOYSA-N 1 0 247.346 2.140 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000777742717 585719322 /nfs/dbraw/zinc/71/93/22/585719322.db2.gz IZCLUEIECWCBEV-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO COC[C@@H](C)N[NH+]=C(C)c1ccccc1N(C)C ZINC000777901590 585723180 /nfs/dbraw/zinc/72/31/80/585723180.db2.gz CSVHEYKXAWJOCP-LLVKDONJSA-N 1 0 249.358 2.101 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1cccc(C)c1 ZINC000778221585 585728109 /nfs/dbraw/zinc/72/81/09/585728109.db2.gz UGBSUGHYJKCZDC-UHFFFAOYSA-N 1 0 225.335 2.496 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000778230117 585728346 /nfs/dbraw/zinc/72/83/46/585728346.db2.gz DZXUBQNKUOWZKP-CYBMUJFWSA-N 1 0 223.291 2.367 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(=NO[C@H]2CCCCO2)C1 ZINC000788437896 585740727 /nfs/dbraw/zinc/74/07/27/585740727.db2.gz XBGKZTFZJFEBLH-OLZOCXBDSA-N 1 0 240.347 2.390 20 30 BEEDRO C[C@H]1CNC(NN=C2C[C@H](C)CC(C)(C)C2)=[NH+]1 ZINC000779793061 585763997 /nfs/dbraw/zinc/76/39/97/585763997.db2.gz RAJZSJYVNCVCIO-UWVGGRQHSA-N 1 0 236.363 2.126 20 30 BEEDRO CC[C@@H]1C[C@@H](C)CCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779793214 585764140 /nfs/dbraw/zinc/76/41/40/585764140.db2.gz XUONFGHEXSGEBD-HBNTYKKESA-N 1 0 236.363 2.126 20 30 BEEDRO CCC1(C)CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000779801856 585765020 /nfs/dbraw/zinc/76/50/20/585765020.db2.gz ZRPJJZORWUBVEU-NKUHCKNESA-N 1 0 236.363 2.270 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc3n[nH]cc3c2)C[N@@H+]1C ZINC000779817108 585767001 /nfs/dbraw/zinc/76/70/01/585767001.db2.gz BXOGYWPDDYIJND-VIFPVBQESA-N 1 0 243.314 2.055 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000781352691 585795142 /nfs/dbraw/zinc/79/51/42/585795142.db2.gz GDAIKUYESPDOCF-JTQLQIEISA-N 1 0 217.259 2.103 20 30 BEEDRO CCCCCC[C@@H](C)N[NH+]=Cc1cnc(N)nc1 ZINC000781592832 585799960 /nfs/dbraw/zinc/79/99/60/585799960.db2.gz KLSXNOLSFYSONW-LLVKDONJSA-N 1 0 249.362 2.341 20 30 BEEDRO CCOCCO[NH+]=Cc1ccc(N(C)C)cc1 ZINC000782309498 585814613 /nfs/dbraw/zinc/81/46/13/585814613.db2.gz ZNXVEENZDLYFQJ-UHFFFAOYSA-N 1 0 236.315 2.140 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782611832 585822302 /nfs/dbraw/zinc/82/23/02/585822302.db2.gz FJDUMDYRDFEGNF-QWHCGFSZSA-N 1 0 211.349 2.271 20 30 BEEDRO N#Cc1ccc(C[NH2+]C(C2CC2)C2CC2)nc1 ZINC000783293686 585833187 /nfs/dbraw/zinc/83/31/87/585833187.db2.gz JNPAJLBVXHSYSH-UHFFFAOYSA-N 1 0 227.311 2.231 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H](C)c1ccc(F)cc1 ZINC000783569173 585837257 /nfs/dbraw/zinc/83/72/57/585837257.db2.gz DJPQUXZTMQRIDA-ZDUSSCGKSA-N 1 0 229.298 2.498 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(CC#N)cc1 ZINC000784047792 585847760 /nfs/dbraw/zinc/84/77/60/585847760.db2.gz RNVJWKFGIUREEH-UHFFFAOYSA-N 1 0 217.272 2.161 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(F)cc1C ZINC000784222609 585852977 /nfs/dbraw/zinc/85/29/77/585852977.db2.gz MUKNCGZVJPMXTP-UHFFFAOYSA-N 1 0 235.302 2.216 20 30 BEEDRO C#CCN(CC[NH+]1CCCCCC1)C(C)C ZINC000805760298 585857786 /nfs/dbraw/zinc/85/77/86/585857786.db2.gz ILGRSVFVDPVNHJ-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784575759 585863770 /nfs/dbraw/zinc/86/37/70/585863770.db2.gz XNMRWRGMZVDYJS-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000785419551 585873007 /nfs/dbraw/zinc/87/30/07/585873007.db2.gz LDMFSFBHNLOICO-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000785419545 585873050 /nfs/dbraw/zinc/87/30/50/585873050.db2.gz LDMFSFBHNLOICO-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000785546043 585875705 /nfs/dbraw/zinc/87/57/05/585875705.db2.gz KREGJEUERMSFRS-JMJZKYOTSA-N 1 0 217.740 2.220 20 30 BEEDRO C=CCC[N@@H+](C)Cn1nccc1-c1cccnc1 ZINC000786102736 585887340 /nfs/dbraw/zinc/88/73/40/585887340.db2.gz SOSWGEXOWUBXOL-UHFFFAOYSA-N 1 0 242.326 2.411 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786166381 585887885 /nfs/dbraw/zinc/88/78/85/585887885.db2.gz QRELAXFWVWUVBT-ZDUSSCGKSA-N 1 0 241.375 2.108 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000787998321 585918600 /nfs/dbraw/zinc/91/86/00/585918600.db2.gz ZJKRGQGJLQLYJY-UHFFFAOYSA-N 1 0 247.338 2.418 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NOCc2cccnc2)C1 ZINC000788437920 585923400 /nfs/dbraw/zinc/92/34/00/585923400.db2.gz XHLLLBSSBIBEBT-AWEZNQCLSA-N 1 0 247.342 2.458 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NOC2CCOCC2)C1 ZINC000788440203 585923654 /nfs/dbraw/zinc/92/36/54/585923654.db2.gz FCDPRTZYJWELKY-LBPRGKRZSA-N 1 0 240.347 2.042 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc[nH]c(=O)c1 ZINC000788800912 585930766 /nfs/dbraw/zinc/93/07/66/585930766.db2.gz JMECYGQOTZOGHS-SNVBAGLBSA-N 1 0 231.299 2.132 20 30 BEEDRO Cc1cccnc1N=NC1CC[N@@H+]2CCC[C@@H]12 ZINC000790185586 585960206 /nfs/dbraw/zinc/96/02/06/585960206.db2.gz GTCSSDCHTBYYGT-LBPRGKRZSA-N 1 0 230.315 2.026 20 30 BEEDRO C#CCCCCCC(=O)OCCC[NH+](C)C ZINC000792119999 585996095 /nfs/dbraw/zinc/99/60/95/585996095.db2.gz VKFQSXYYSDBJHL-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)OCCC[NH+](C)C ZINC000792134711 585996562 /nfs/dbraw/zinc/99/65/62/585996562.db2.gz ZXRNUTNTIZXBCB-LLVKDONJSA-N 1 0 213.321 2.084 20 30 BEEDRO C#CC[N@@H+](CC)CC1(OC)CCCCC1 ZINC000792167295 585996902 /nfs/dbraw/zinc/99/69/02/585996902.db2.gz KKWCORAACPKLMM-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C[C@](C)(CC)C(=O)OCCC[NH+](C)C ZINC000792170397 585996922 /nfs/dbraw/zinc/99/69/22/585996922.db2.gz KTNFJQGRBGOWOE-GFCCVEGCSA-N 1 0 213.321 2.084 20 30 BEEDRO C#CCC[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000792465165 586001062 /nfs/dbraw/zinc/00/10/62/586001062.db2.gz KPXVYRDGYLPSFN-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H](NN=C1C[C@@H](C)N(C)C1)C(C)(C)C ZINC000793110897 586010453 /nfs/dbraw/zinc/01/04/53/586010453.db2.gz CKANNIXKZBIPBD-ZJUUUORDSA-N 1 0 211.353 2.091 20 30 BEEDRO CC(=NN[C@H](C)C(C)(C)C)c1cn(C)c(C)n1 ZINC000793110915 586010467 /nfs/dbraw/zinc/01/04/67/586010467.db2.gz CSJIDHWCEFRXJM-SNVBAGLBSA-N 1 0 236.363 2.477 20 30 BEEDRO CC(C)[C@@H](C#N)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793138079 586011208 /nfs/dbraw/zinc/01/12/08/586011208.db2.gz ROMAICGYUACMEJ-GFCCVEGCSA-N 1 0 243.266 2.039 20 30 BEEDRO CC(C)[C@H](C#N)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793138089 586011226 /nfs/dbraw/zinc/01/12/26/586011226.db2.gz ROMAICGYUACMEJ-LBPRGKRZSA-N 1 0 243.266 2.039 20 30 BEEDRO CC[C@H](C)CON=C1CC[N@@H+]2CCC[C@@H]12 ZINC000793144905 586011479 /nfs/dbraw/zinc/01/14/79/586011479.db2.gz GGLGIZNZDOUVAM-JQWIXIFHSA-N 1 0 210.321 2.273 20 30 BEEDRO CC[C@@H](C)CON=C1C[NH+]2CCC1CC2 ZINC000793157773 586011843 /nfs/dbraw/zinc/01/18/43/586011843.db2.gz CRFRMQBGLDJJAL-SNVBAGLBSA-N 1 0 210.321 2.131 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc(Cl)n2)C[N@@H+]1C ZINC000793161106 586012354 /nfs/dbraw/zinc/01/23/54/586012354.db2.gz IALVBYDCOFIPCM-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO COCCCN[NH+]=C(C)c1ccccc1N(C)C ZINC000794542772 586043226 /nfs/dbraw/zinc/04/32/26/586043226.db2.gz YTWSKXFASZPVLJ-UHFFFAOYSA-N 1 0 249.358 2.103 20 30 BEEDRO CSCCON=C(C)CCCC[NH+](C)C ZINC000794574346 586044531 /nfs/dbraw/zinc/04/45/31/586044531.db2.gz CRBUMZQNFGRBAU-UHFFFAOYSA-N 1 0 232.393 2.474 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCCCn1cccn1 ZINC000794574243 586044792 /nfs/dbraw/zinc/04/47/92/586044792.db2.gz DZKHFIBHEHDRHB-UHFFFAOYSA-N 1 0 233.359 2.397 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000794576339 586044798 /nfs/dbraw/zinc/04/47/98/586044798.db2.gz JGGCKXIFYOSVKG-QWHCGFSZSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CCN[NH+]=Cc1ccc(N(C)CCC#N)cc1 ZINC000794998558 586063539 /nfs/dbraw/zinc/06/35/39/586063539.db2.gz LUUOVDBZTANFHK-UHFFFAOYSA-N 1 0 242.326 2.146 20 30 BEEDRO C#CCCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000795289277 586074788 /nfs/dbraw/zinc/07/47/88/586074788.db2.gz NGXLUNKXGIUCPO-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CC[C@@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795939448 586094732 /nfs/dbraw/zinc/09/47/32/586094732.db2.gz QHAUTIUUTABVJX-GFCCVEGCSA-N 1 0 239.359 2.474 20 30 BEEDRO C#CC[N@@H+](Cc1ccnc(C)n1)C1CCCC1 ZINC000796442388 586103209 /nfs/dbraw/zinc/10/32/09/586103209.db2.gz NKRSUYSRNLYMAC-UHFFFAOYSA-N 1 0 229.327 2.163 20 30 BEEDRO CCCCCCC[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000796576184 586107693 /nfs/dbraw/zinc/10/76/93/586107693.db2.gz VRJLKZPIOIBNKF-KBPBESRZSA-N 1 0 243.391 2.429 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)CC1(C)COC1 ZINC000796642195 586108812 /nfs/dbraw/zinc/10/88/12/586108812.db2.gz ZNYYMQKGVJBVGW-UHFFFAOYSA-N 1 0 229.323 2.158 20 30 BEEDRO Cc1ccc(O)c(C[NH2+]CC2(CC#N)CC2)c1 ZINC000797468887 586127654 /nfs/dbraw/zinc/12/76/54/586127654.db2.gz QMPNONFUFHLJEL-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO COc1cccc(C[NH2+]CC2(CC#N)CC2)c1O ZINC000797468809 586127686 /nfs/dbraw/zinc/12/76/86/586127686.db2.gz QPTLOAVNVCZZIL-UHFFFAOYSA-N 1 0 246.310 2.184 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000797604596 586129385 /nfs/dbraw/zinc/12/93/85/586129385.db2.gz YMTNWZHOMJPMPX-UHFFFAOYSA-N 1 0 234.274 2.315 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)cc1 ZINC000798185530 586139003 /nfs/dbraw/zinc/13/90/03/586139003.db2.gz FSQZNKIKJITBHA-HNNXBMFYSA-N 1 0 243.350 2.403 20 30 BEEDRO CC(C)[C@@H](C(=O)OCC(C)(C)CC#N)[NH+](C)C ZINC000798854087 586151695 /nfs/dbraw/zinc/15/16/95/586151695.db2.gz MAZSSGYMRORBNV-NSHDSACASA-N 1 0 240.347 2.056 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](OCC)C1CC1 ZINC000859318443 589030946 /nfs/dbraw/zinc/03/09/46/589030946.db2.gz ATQGOLZULUSHMY-STQMWFEESA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccnc(F)c1 ZINC000859318691 589031201 /nfs/dbraw/zinc/03/12/01/589031201.db2.gz FURJSHKSVIKOLU-LBPRGKRZSA-N 1 0 206.264 2.112 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799197350 586166956 /nfs/dbraw/zinc/16/69/56/586166956.db2.gz WTVPARQFLVPVDG-UONOGXRCSA-N 1 0 246.354 2.198 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799197351 586167078 /nfs/dbraw/zinc/16/70/78/586167078.db2.gz WTVPARQFLVPVDG-ZIAGYGMSSA-N 1 0 246.354 2.198 20 30 BEEDRO C#CCC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000799334913 586171831 /nfs/dbraw/zinc/17/18/31/586171831.db2.gz GEBSZPPZGHRQPQ-UHFFFAOYSA-N 1 0 217.316 2.055 20 30 BEEDRO Cc1noc([C@H](C)[NH2+]CC2CCC(C#N)CC2)n1 ZINC000799598038 586186131 /nfs/dbraw/zinc/18/61/31/586186131.db2.gz ROJVBUFKJVIFQG-GCVQQVDUSA-N 1 0 248.330 2.359 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000799714807 586193437 /nfs/dbraw/zinc/19/34/37/586193437.db2.gz GBLNAUKLDAODNI-AEGPPILISA-N 1 0 244.338 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC000799716188 586194349 /nfs/dbraw/zinc/19/43/49/586194349.db2.gz MOBVGYJJCDYSAM-XBFCOCLRSA-N 1 0 230.311 2.002 20 30 BEEDRO FCCC[C@H]1CCCC1=[NH+]n1cnnc1 ZINC000800803633 586229833 /nfs/dbraw/zinc/22/98/33/586229833.db2.gz JRDPHQLDUZZITP-SECBINFHSA-N 1 0 210.256 2.032 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)C(C)C)C1 ZINC000859445395 589037633 /nfs/dbraw/zinc/03/76/33/589037633.db2.gz HZJLEVVHEAXAKA-LBPRGKRZSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)C1 ZINC000801568252 586264443 /nfs/dbraw/zinc/26/44/43/586264443.db2.gz PUWRSXHYYQDQLC-VHSXEESVSA-N 1 0 219.275 2.307 20 30 BEEDRO C#CCCC[N@H+]1Cc2ccc(O)cc2C1 ZINC000859477867 589039760 /nfs/dbraw/zinc/03/97/60/589039760.db2.gz ZQUBWDQGRGXDAM-UHFFFAOYSA-N 1 0 201.269 2.121 20 30 BEEDRO Cc1cc([C@H]2CCC[N@H+]2CCO[C@@H](C)C#N)on1 ZINC000801913114 586276261 /nfs/dbraw/zinc/27/62/61/586276261.db2.gz QDRMPNOMYMSYBY-NWDGAFQWSA-N 1 0 249.314 2.049 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000801918492 586276505 /nfs/dbraw/zinc/27/65/05/586276505.db2.gz PFDQWLZMQXQCMU-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](c1cccc(O)c1)[N@@H+](C)CCO[C@@H](C)C#N ZINC000801932056 586278316 /nfs/dbraw/zinc/27/83/16/586278316.db2.gz GEXFYPOCUBFLED-NWDGAFQWSA-N 1 0 248.326 2.314 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000801936238 586280004 /nfs/dbraw/zinc/28/00/04/586280004.db2.gz KXFYIFOYYCRBGA-OCCSQVGLSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC000801941393 586280499 /nfs/dbraw/zinc/28/04/99/586280499.db2.gz NMFNNFBIEWMZFY-NWDGAFQWSA-N 1 0 224.348 2.283 20 30 BEEDRO Cc1ccc2c(c1)CC[N@@H+](CCO[C@@H](C)C#N)C2 ZINC000801948807 586282935 /nfs/dbraw/zinc/28/29/35/586282935.db2.gz GGMWSHKYGLAAFX-ZDUSSCGKSA-N 1 0 244.338 2.282 20 30 BEEDRO C#CCCC[N@@H+]1CCOc2cc(OC)ccc2C1 ZINC000801966124 586284101 /nfs/dbraw/zinc/28/41/01/586284101.db2.gz CFKZVJGTMJIUCH-UHFFFAOYSA-N 1 0 245.322 2.303 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C(=O)OC)c(CC)o1 ZINC000802646364 586306838 /nfs/dbraw/zinc/30/68/38/586306838.db2.gz OQAXFVUZFCRZEE-UHFFFAOYSA-N 1 0 249.310 2.132 20 30 BEEDRO C=C(CC)COC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803498045 586361983 /nfs/dbraw/zinc/36/19/83/586361983.db2.gz PNHMADGIBXIHSH-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO CC(C)[C@H](C(=O)OCCC(C)(C)C#N)[NH+](C)C ZINC000803497404 586362274 /nfs/dbraw/zinc/36/22/74/586362274.db2.gz KWKZBNNNKWBJHI-LLVKDONJSA-N 1 0 240.347 2.056 20 30 BEEDRO C=CCCOC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803855759 586377886 /nfs/dbraw/zinc/37/78/86/586377886.db2.gz KQZXRZZHMYJKTP-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnnn1C ZINC000806660348 586415898 /nfs/dbraw/zinc/41/58/98/586415898.db2.gz VWBPSAIUXLHUHC-LBPRGKRZSA-N 1 0 236.363 2.430 20 30 BEEDRO CN(C)c1ccncc1C=[NH+]NCC1CCCC1 ZINC000808005410 586458570 /nfs/dbraw/zinc/45/85/70/586458570.db2.gz FBEHCQZBUNRFEU-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000808749733 586487694 /nfs/dbraw/zinc/48/76/94/586487694.db2.gz CPKNRFWFRJKKDQ-KBPBESRZSA-N 1 0 243.391 2.022 20 30 BEEDRO CCC(CC)[N@H+](CC)CCO[C@@H](C)C#N ZINC000808782109 586489550 /nfs/dbraw/zinc/48/95/50/586489550.db2.gz FUKDPBNNQHJBMY-NSHDSACASA-N 1 0 212.337 2.426 20 30 BEEDRO C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)CC#N ZINC000809570619 586507440 /nfs/dbraw/zinc/50/74/40/586507440.db2.gz QTJNOMXKAIPVSG-ZWNOBZJWSA-N 1 0 236.290 2.093 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](COC)C(C)C)cc1 ZINC000809621172 586509294 /nfs/dbraw/zinc/50/92/94/586509294.db2.gz WJELCFUOUYNEBT-HNNXBMFYSA-N 1 0 231.339 2.429 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccccn2)cc1 ZINC000809632880 586509978 /nfs/dbraw/zinc/50/99/78/586509978.db2.gz ZFDPJRUJDBFPBQ-UHFFFAOYSA-N 1 0 222.291 2.353 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCc2ccncc2)cc1 ZINC000809627432 586510090 /nfs/dbraw/zinc/51/00/90/586510090.db2.gz UTQOMIBMVQQKSM-UHFFFAOYSA-N 1 0 236.318 2.395 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(OC)CCC2)cc1 ZINC000809637108 586510370 /nfs/dbraw/zinc/51/03/70/586510370.db2.gz PEXZWDZCQLCUMQ-UHFFFAOYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2CC(OCC)C2)cc1 ZINC000809650027 586510751 /nfs/dbraw/zinc/51/07/51/586510751.db2.gz LFCSSUZEQZXUPY-UHFFFAOYSA-N 1 0 229.323 2.325 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000809683301 586511432 /nfs/dbraw/zinc/51/14/32/586511432.db2.gz YHMPGTMIULUFOR-JTQLQIEISA-N 1 0 248.292 2.015 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2ccccn12)C(C)C ZINC000809685553 586512099 /nfs/dbraw/zinc/51/20/99/586512099.db2.gz ZXRLHJQJKPNYAI-CYBMUJFWSA-N 1 0 227.311 2.082 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1 ZINC000809723827 586514758 /nfs/dbraw/zinc/51/47/58/586514758.db2.gz QHUGRNBPZOKWLU-HNNXBMFYSA-N 1 0 231.339 2.022 20 30 BEEDRO C#Cc1ccc(CN(C)CCC[NH+](C)C)cc1 ZINC000809729439 586515373 /nfs/dbraw/zinc/51/53/73/586515373.db2.gz IRBDNDPMPCEIEC-UHFFFAOYSA-N 1 0 230.355 2.051 20 30 BEEDRO C#CCCC[N@H+]1CC(C)(C)[C@H]1[C@H]1CCCO1 ZINC000810027011 586532104 /nfs/dbraw/zinc/53/21/04/586532104.db2.gz UPCUSPDWWQOSMR-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccc(OC)c(O)c1 ZINC000810220535 586537524 /nfs/dbraw/zinc/53/75/24/586537524.db2.gz ZJDQHTVVORZNMW-LLVKDONJSA-N 1 0 233.311 2.465 20 30 BEEDRO C=CCCOC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810542599 586540583 /nfs/dbraw/zinc/54/05/83/586540583.db2.gz JVXJTBKVWJQCMR-CYBMUJFWSA-N 1 0 243.322 2.318 20 30 BEEDRO CC#CCCCC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000810838508 586547842 /nfs/dbraw/zinc/54/78/42/586547842.db2.gz QBGUUAZHULOAMH-KBPBESRZSA-N 1 0 249.354 2.350 20 30 BEEDRO C=CCCCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000811011633 586552250 /nfs/dbraw/zinc/55/22/50/586552250.db2.gz GHFUFXMDLNOPBF-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO C[C@@H]1C(N=NC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000811647468 586562509 /nfs/dbraw/zinc/56/25/09/586562509.db2.gz NYOUSMNLFIHCCZ-GFCCVEGCSA-N 1 0 243.354 2.389 20 30 BEEDRO CC(C)[N@H+]1CC(=NOC/C=C\Cl)[C@@H](C)C1 ZINC000811670733 586565506 /nfs/dbraw/zinc/56/55/06/586565506.db2.gz APBRZUABKCFBMI-XNZFGNTDSA-N 1 0 230.739 2.472 20 30 BEEDRO C=CCC[N@@H+](C)CN1C(=O)C(C)(C)[C@@H]1C1CC1 ZINC000811766448 586566835 /nfs/dbraw/zinc/56/68/35/586566835.db2.gz QCZOVNFGSFLOFQ-LBPRGKRZSA-N 1 0 236.359 2.099 20 30 BEEDRO N#CCCCC(=O)OCCC[NH+]1CCCCC1 ZINC000812617813 586579515 /nfs/dbraw/zinc/57/95/15/586579515.db2.gz VVNQVOQUPKQCHT-UHFFFAOYSA-N 1 0 238.331 2.099 20 30 BEEDRO c1nncn1[NH+]=C1CC(c2ccccc2)C1 ZINC000814682384 586629156 /nfs/dbraw/zinc/62/91/56/586629156.db2.gz JBQPBWXKFMRWKS-UHFFFAOYSA-N 1 0 212.256 2.060 20 30 BEEDRO CCOCCON=C(C)c1ccc(C)nc1C ZINC000814907507 586648119 /nfs/dbraw/zinc/64/81/19/586648119.db2.gz MNCSIHMMDAGXDC-UHFFFAOYSA-N 1 0 236.315 2.476 20 30 BEEDRO C=CCN[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000814928101 586652732 /nfs/dbraw/zinc/65/27/32/586652732.db2.gz WFBSVZFRTNOZHQ-UHFFFAOYSA-N 1 0 245.326 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(n3cccn3)CC2)C1 ZINC000815044513 586664601 /nfs/dbraw/zinc/66/46/01/586664601.db2.gz CXGBDOSKMMQUHS-OCCSQVGLSA-N 1 0 244.342 2.212 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(F)(F)CC2)C1 ZINC000815105989 586666250 /nfs/dbraw/zinc/66/62/50/586666250.db2.gz OBCGNMXFHVAXKF-ZJUUUORDSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CCCCCCCC[NH2+]Cc1cnn(C)n1 ZINC000815141224 586669546 /nfs/dbraw/zinc/66/95/46/586669546.db2.gz WBPKVYHRXLOENK-UHFFFAOYSA-N 1 0 236.363 2.431 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC2(CC1)OCCCO2 ZINC000815156204 586670953 /nfs/dbraw/zinc/67/09/53/586670953.db2.gz XLKDGHWVUCVYOE-CYBMUJFWSA-N 1 0 237.343 2.017 20 30 BEEDRO C=C(CC)C[NH+]1CCC2(CC1)OCCCO2 ZINC000815158431 586670985 /nfs/dbraw/zinc/67/09/85/586670985.db2.gz UNWXYIWTTVMPAO-UHFFFAOYSA-N 1 0 225.332 2.182 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000815317566 586678782 /nfs/dbraw/zinc/67/87/82/586678782.db2.gz KKVBBQTYFURERD-NSHDSACASA-N 1 0 217.740 2.486 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588710 586688063 /nfs/dbraw/zinc/68/80/63/586688063.db2.gz WXMIVIDQSLAOPY-BDAKNGLRSA-N 1 0 235.287 2.402 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cn1)[C@@]1(C)CCCO1 ZINC000815618830 586689473 /nfs/dbraw/zinc/68/94/73/586689473.db2.gz VQYTYZSRKHPXHU-BXUZGUMPSA-N 1 0 245.326 2.000 20 30 BEEDRO C=CCC(F)(F)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000816759928 586763214 /nfs/dbraw/zinc/76/32/14/586763214.db2.gz XSWZPMSSXWWPRY-JTQLQIEISA-N 1 0 248.317 2.043 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000817583631 586812593 /nfs/dbraw/zinc/81/25/93/586812593.db2.gz FQMIEKHVEZGDDQ-CYBMUJFWSA-N 1 0 216.328 2.495 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)C1(OC)CCCC1 ZINC000817581256 586812614 /nfs/dbraw/zinc/81/26/14/586812614.db2.gz OGYVCCJAJDRRGD-GFCCVEGCSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CCCCC(=O)Nc1cc(C)c2nccn2c1 ZINC000818049982 586867428 /nfs/dbraw/zinc/86/74/28/586867428.db2.gz AEBRTAFVPMQJEH-UHFFFAOYSA-N 1 0 241.294 2.385 20 30 BEEDRO COc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818231623 586880720 /nfs/dbraw/zinc/88/07/20/586880720.db2.gz VJCRGOFBYYEHEF-WDEREUQCSA-N 1 0 246.310 2.183 20 30 BEEDRO C#CCCC[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000818332898 586886735 /nfs/dbraw/zinc/88/67/35/586886735.db2.gz RJJJTDJWQSTKGK-COVPZLACSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000818344871 586887643 /nfs/dbraw/zinc/88/76/43/586887643.db2.gz HQFSIEDPXYVILZ-JTQLQIEISA-N 1 0 222.336 2.051 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]1O ZINC000818358007 586888938 /nfs/dbraw/zinc/88/89/38/586888938.db2.gz NSKIYHWJQQZSLS-RRFJBIMHSA-N 1 0 242.322 2.049 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000819157865 586934313 /nfs/dbraw/zinc/93/43/13/586934313.db2.gz YQCMPLXFUXEEBB-MRXNPFEDSA-N 1 0 245.366 2.373 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](O)c1ccccc1C ZINC000819161783 586934583 /nfs/dbraw/zinc/93/45/83/586934583.db2.gz KOBKKEJSSAMKQL-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000819213048 586939581 /nfs/dbraw/zinc/93/95/81/586939581.db2.gz HXDXMKZIMZHSHG-CYBMUJFWSA-N 1 0 237.730 2.376 20 30 BEEDRO C=CCCCCCC[NH2+]C[C@H](O)C1CC1 ZINC000819309790 586949577 /nfs/dbraw/zinc/94/95/77/586949577.db2.gz WGWHMVURJARWPQ-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCCCCCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000819310110 586949732 /nfs/dbraw/zinc/94/97/32/586949732.db2.gz ZPEZRGSNDGRXAN-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO C#CC[C@@H](Cc1ccccc1)[NH2+]CC1(O)CCC1 ZINC000819304954 586949793 /nfs/dbraw/zinc/94/97/93/586949793.db2.gz KVFZDALTDOPYGS-HNNXBMFYSA-N 1 0 243.350 2.126 20 30 BEEDRO C[C@]1(C[NH2+]CCC#N)CC1(Cl)Cl ZINC000819346336 586954878 /nfs/dbraw/zinc/95/48/78/586954878.db2.gz FGUIVBRSJXBMMC-SSDOTTSWSA-N 1 0 207.104 2.074 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@H](O)c1ccccc1 ZINC000819361108 586957188 /nfs/dbraw/zinc/95/71/88/586957188.db2.gz CMIALCVEIFEOQB-ZDUSSCGKSA-N 1 0 232.327 2.249 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H](O)c2ccc(F)cc2)CCC1 ZINC000819377190 586958917 /nfs/dbraw/zinc/95/89/17/586958917.db2.gz JXAKWEBHYCSHEV-CYBMUJFWSA-N 1 0 248.301 2.143 20 30 BEEDRO C#CCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000860108132 589080552 /nfs/dbraw/zinc/08/05/52/589080552.db2.gz TXHLRHJEHFQOAQ-UHFFFAOYSA-N 1 0 224.307 2.134 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000821207288 587101643 /nfs/dbraw/zinc/10/16/43/587101643.db2.gz NFRGQDAHWZTPAI-WVUXNXBLSA-N 1 0 229.323 2.064 20 30 BEEDRO CCC(C#N)(CC)C(=O)OCc1ccnc(N)c1 ZINC000860200650 589088964 /nfs/dbraw/zinc/08/89/64/589088964.db2.gz XQLCQZPDLMUZRD-UHFFFAOYSA-N 1 0 247.298 2.037 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000822663807 587179729 /nfs/dbraw/zinc/17/97/29/587179729.db2.gz STZBUDNONVIMCE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2C[C@H]3C[C@H]3[NH2+]2)n1 ZINC000823247116 587210794 /nfs/dbraw/zinc/21/07/94/587210794.db2.gz ANQQXLGOAIPABT-BBBLOLIVSA-N 1 0 233.315 2.346 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2C[C@]23CC[NH2+]C3)n1 ZINC000823247950 587211171 /nfs/dbraw/zinc/21/11/71/587211171.db2.gz MAVLWLSVOBVSDF-HZMBPMFUSA-N 1 0 247.342 2.390 20 30 BEEDRO C[N@H+](CCCC#N)C[C@@](C)(O)c1ccccc1 ZINC000823584070 587232161 /nfs/dbraw/zinc/23/21/61/587232161.db2.gz BQCVBAPNMZVYRC-CQSZACIVSA-N 1 0 232.327 2.130 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc2cccnc2o1 ZINC000823904386 587245817 /nfs/dbraw/zinc/24/58/17/587245817.db2.gz CUEQTGYMKGIFIA-UHFFFAOYSA-N 1 0 246.335 2.284 20 30 BEEDRO C#CCCC[NH2+]C1CCC(C)(C#N)CC1 ZINC000823949887 587246923 /nfs/dbraw/zinc/24/69/23/587246923.db2.gz XSUAEZZUYCOXPD-UHFFFAOYSA-N 1 0 204.317 2.462 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000824074613 587253418 /nfs/dbraw/zinc/25/34/18/587253418.db2.gz VYHXVYBCKBYVMH-LLVKDONJSA-N 1 0 236.363 2.441 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824084140 587254464 /nfs/dbraw/zinc/25/44/64/587254464.db2.gz FAFCAAZFPBFDCM-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CCCC[NH2+]Cc1ccnc(Cl)c1F ZINC000824146895 587258351 /nfs/dbraw/zinc/25/83/51/587258351.db2.gz DIAZSYNZRBILPB-UHFFFAOYSA-N 1 0 227.670 2.267 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCn2ccnc21 ZINC000824525743 587273191 /nfs/dbraw/zinc/27/31/91/587273191.db2.gz DANPZGZLAVWZJQ-QWRGUYRKSA-N 1 0 205.305 2.272 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccnc1Cl ZINC000824861811 587291018 /nfs/dbraw/zinc/29/10/18/587291018.db2.gz QLDDVJBDEHQDGW-MNOVXSKESA-N 1 0 238.718 2.168 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](CC)COC)c1 ZINC000825226849 587310032 /nfs/dbraw/zinc/31/00/32/587310032.db2.gz NIIGJOIAJLPLQG-CQSZACIVSA-N 1 0 217.312 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000825226750 587310415 /nfs/dbraw/zinc/31/04/15/587310415.db2.gz LMSYUKHINFHHAJ-CYBMUJFWSA-N 1 0 239.322 2.043 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C(C)=C2CCC2)CC1 ZINC000825746766 587336584 /nfs/dbraw/zinc/33/65/84/587336584.db2.gz KRUSFPQRVSLQOR-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2c(C3CC3)cnn2C)C1 ZINC000826535474 587354213 /nfs/dbraw/zinc/35/42/13/587354213.db2.gz XNIXCJZZMBLIJX-LBPRGKRZSA-N 1 0 243.354 2.143 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000826679222 587359103 /nfs/dbraw/zinc/35/91/03/587359103.db2.gz XNRULFKBTGLZRE-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC(CCOC)C2)cc1 ZINC000826899581 587364874 /nfs/dbraw/zinc/36/48/74/587364874.db2.gz PIWDHBGPMSTQIP-UHFFFAOYSA-N 1 0 229.323 2.136 20 30 BEEDRO C=CCC[NH2+]CC(C)(C)CC(=O)OCC ZINC000826915916 587365313 /nfs/dbraw/zinc/36/53/13/587365313.db2.gz ZGRMBYPPFCBRHW-UHFFFAOYSA-N 1 0 213.321 2.132 20 30 BEEDRO C=CCC1([NH2+][C@H]2CC[C@@H]2C)CCOCC1 ZINC000827147616 587370907 /nfs/dbraw/zinc/37/09/07/587370907.db2.gz TXRUTCKDLGXOIO-RYUDHWBXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CC[C@H]2C)CCOCC1 ZINC000827147617 587371232 /nfs/dbraw/zinc/37/12/32/587371232.db2.gz TXRUTCKDLGXOIO-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)cc1 ZINC000827281065 587375089 /nfs/dbraw/zinc/37/50/89/587375089.db2.gz IEVQWWAQPQZZEC-HZPDHXFCSA-N 1 0 241.334 2.136 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)cc1 ZINC000827281063 587375124 /nfs/dbraw/zinc/37/51/24/587375124.db2.gz IEVQWWAQPQZZEC-HOTGVXAUSA-N 1 0 241.334 2.136 20 30 BEEDRO C=CCCCC[NH+]1CCC2(CC1)OCCO2 ZINC000827411241 587380603 /nfs/dbraw/zinc/38/06/03/587380603.db2.gz NWRZCEDSNPFFHF-UHFFFAOYSA-N 1 0 225.332 2.182 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)C[C@@H](O)CCC ZINC000827516190 587385662 /nfs/dbraw/zinc/38/56/62/587385662.db2.gz NQLMASOZDUPUSX-HNNXBMFYSA-N 1 0 249.329 2.422 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)C1CCC1)C1CCOCC1 ZINC000827558961 587387894 /nfs/dbraw/zinc/38/78/94/587387894.db2.gz BKQJVZLIKKRORD-SMDDNHRTSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)CC1CC1)C1CCOCC1 ZINC000827560255 587388193 /nfs/dbraw/zinc/38/81/93/587388193.db2.gz NWIKTMVTUFLJCK-SMDDNHRTSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](C)CCC)C1CCOCC1 ZINC000827564806 587388506 /nfs/dbraw/zinc/38/85/06/587388506.db2.gz GMIQDYFLUJKUMB-OCCSQVGLSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]C1CCCCC1)C1CCOCC1 ZINC000827565975 587388907 /nfs/dbraw/zinc/38/89/07/587388907.db2.gz QLXMMBJIROOBDU-AWEZNQCLSA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CCC=C)C1CCOCC1 ZINC000827565361 587388922 /nfs/dbraw/zinc/38/89/22/587388922.db2.gz LHWGQZWPYCIOOC-TZMCWYRMSA-N 1 0 221.344 2.359 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)C1CCOCC1 ZINC000827565828 587389072 /nfs/dbraw/zinc/38/90/72/587389072.db2.gz OYLCCAJWLDGOBA-XBFCOCLRSA-N 1 0 221.344 2.193 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)cc1 ZINC000827692720 587397040 /nfs/dbraw/zinc/39/70/40/587397040.db2.gz METPGUXWIICFRW-BBRMVZONSA-N 1 0 243.350 2.118 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cccc(C)c1O ZINC000827822950 587404448 /nfs/dbraw/zinc/40/44/48/587404448.db2.gz IEDFDMAGVFGAOJ-UHFFFAOYSA-N 1 0 247.338 2.172 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1c(F)cccc1F ZINC000828434274 587442207 /nfs/dbraw/zinc/44/22/07/587442207.db2.gz SMZPPACRZGTYCT-JTQLQIEISA-N 1 0 223.266 2.461 20 30 BEEDRO C#C[C@H]([NH2+]CCCCC=C)[C@H]1CCCO1 ZINC000828953617 587473672 /nfs/dbraw/zinc/47/36/72/587473672.db2.gz JSHORTSQOSSMKX-QWHCGFSZSA-N 1 0 207.317 2.113 20 30 BEEDRO C#C[C@@H]([NH2+]CC12CCC(CC1)C2)[C@@H]1CCCO1 ZINC000828952849 587474924 /nfs/dbraw/zinc/47/49/24/587474924.db2.gz CNXFBSYOGRUWGX-FUUBYGMNSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)[C@@H]1CCCO1 ZINC000828952574 587475039 /nfs/dbraw/zinc/47/50/39/587475039.db2.gz ARGTUEGTKWQYDJ-SRVKXCTJSA-N 1 0 243.297 2.192 20 30 BEEDRO C=CC[C@H]1[N@H+](CC[S@](C)=O)CCCC1(C)C ZINC000829283979 587491216 /nfs/dbraw/zinc/49/12/16/587491216.db2.gz XAKXYRVMLWXHCL-WBMJQRKESA-N 1 0 243.416 2.432 20 30 BEEDRO C=CCC[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829338243 587493360 /nfs/dbraw/zinc/49/33/60/587493360.db2.gz SGMKIVUFNOASKF-OAHLLOKOSA-N 1 0 231.339 2.328 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC2(O)CCCCC2)C1 ZINC000829784739 587513750 /nfs/dbraw/zinc/51/37/50/587513750.db2.gz MPUGDVGZFQWEQB-CQSZACIVSA-N 1 0 235.371 2.417 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000829778326 587515100 /nfs/dbraw/zinc/51/51/00/587515100.db2.gz BDKASZWOMGFWHB-NSHDSACASA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000829774367 587515380 /nfs/dbraw/zinc/51/53/80/587515380.db2.gz PKMRMEHZODAIAL-HOCLYGCPSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)CCC=C)C1 ZINC000829788806 587516156 /nfs/dbraw/zinc/51/61/56/587516156.db2.gz HDXMRRCJWBIWLJ-KBPBESRZSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000829785260 587516215 /nfs/dbraw/zinc/51/62/15/587516215.db2.gz STBPDCGMHJJDML-ZDUSSCGKSA-N 1 0 214.312 2.317 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CC(OCC)OCC)C1 ZINC000829810468 587518785 /nfs/dbraw/zinc/51/87/85/587518785.db2.gz QCRIVRMENSOXAU-ZDUSSCGKSA-N 1 0 239.359 2.121 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000829810160 587518816 /nfs/dbraw/zinc/51/88/16/587518816.db2.gz MITDJSZNOWXOCF-GFCCVEGCSA-N 1 0 202.301 2.025 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccnc2OC)C1 ZINC000829811235 587518976 /nfs/dbraw/zinc/51/89/76/587518976.db2.gz ZRYHHDJCZRHAGB-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](OC)C2CC2)C1 ZINC000829815469 587519309 /nfs/dbraw/zinc/51/93/09/587519309.db2.gz MKFNQKWYIIYDCX-JSGCOSHPSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCC2(O)CCC2)C1 ZINC000829815295 587519732 /nfs/dbraw/zinc/51/97/32/587519732.db2.gz JDYFIFOAJANXJY-CYBMUJFWSA-N 1 0 221.344 2.027 20 30 BEEDRO C=C(Cl)CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000830078658 587535083 /nfs/dbraw/zinc/53/50/83/587535083.db2.gz IWKRGWMCNUNEDQ-JTQLQIEISA-N 1 0 228.767 2.155 20 30 BEEDRO CCCCCCCC[N@H+](C)CCNC(C)=O ZINC000830131183 587537993 /nfs/dbraw/zinc/53/79/93/587537993.db2.gz RLCYGGAEZLYFEL-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C=C(Cl)CN1CCOC[C@@H]1C1CCC1 ZINC000830240395 587543359 /nfs/dbraw/zinc/54/33/59/587543359.db2.gz SXNDLFFNDUUNIM-LLVKDONJSA-N 1 0 215.724 2.240 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(C)s2)CC1 ZINC000830321497 587545703 /nfs/dbraw/zinc/54/57/03/587545703.db2.gz OARRJOFOEAEEKI-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000830321551 587545728 /nfs/dbraw/zinc/54/57/28/587545728.db2.gz QMDLUJLOCMMWHC-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CC1CC[NH+](CCCOC(C)C)CC1 ZINC000830321352 587545737 /nfs/dbraw/zinc/54/57/37/587545737.db2.gz HLZCEDBHKFTSSC-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000830329793 587546373 /nfs/dbraw/zinc/54/63/73/587546373.db2.gz HNOQUQXXFGMLJK-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000830345697 587546432 /nfs/dbraw/zinc/54/64/32/587546432.db2.gz NRHYTRAMLPHLRY-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC1CC[NH+](CCOCC(C)C)CC1 ZINC000830345651 587546801 /nfs/dbraw/zinc/54/68/01/587546801.db2.gz LOWCOQPLIXJJKE-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO N#CCOc1ccc(CN2CC[C@H](F)C2)cc1 ZINC000830467994 587552372 /nfs/dbraw/zinc/55/23/72/587552372.db2.gz ZHJHCDYPSXFSBS-LBPRGKRZSA-N 1 0 234.274 2.133 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000830654214 587562882 /nfs/dbraw/zinc/56/28/82/587562882.db2.gz PARLKUAHFDIGAY-OLZOCXBDSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CCC[N@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000830853972 587574004 /nfs/dbraw/zinc/57/40/04/587574004.db2.gz GEZLNNHZTJMZMF-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C=C1CCC(CNC(=O)Cc2[nH]cnc2C)CC1 ZINC000830990542 587580557 /nfs/dbraw/zinc/58/05/57/587580557.db2.gz DAEZXPWEIVUNMV-UHFFFAOYSA-N 1 0 247.342 2.123 20 30 BEEDRO C=CC(C)(C)CNC(=O)NCCCCCC[NH3+] ZINC000831165386 587588410 /nfs/dbraw/zinc/58/84/10/587588410.db2.gz FDXCVZMTNAMJRK-UHFFFAOYSA-N 1 0 241.379 2.017 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C1(C)C ZINC000831309549 587597196 /nfs/dbraw/zinc/59/71/96/587597196.db2.gz WCWFGHGHKNEJPO-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000831717838 587628933 /nfs/dbraw/zinc/62/89/33/587628933.db2.gz TXKPQYXBZLIBRV-KGLIPLIRSA-N 1 0 233.355 2.291 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H]1C[C@@H](OC)C12CCC2 ZINC000832209595 587650696 /nfs/dbraw/zinc/65/06/96/587650696.db2.gz LRWONRZSSDMHNL-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)c1ccncc1)[C@@H]1CCCO1 ZINC000834769183 587766526 /nfs/dbraw/zinc/76/65/26/587766526.db2.gz JGJPBVWLQSKHSO-ILXRZTDVSA-N 1 0 244.338 2.303 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc(C)nn1C ZINC000834890068 587769566 /nfs/dbraw/zinc/76/95/66/587769566.db2.gz CNRUHFZTUMEDGO-BZPMIXESSA-N 1 0 249.358 2.113 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)c2ccnn2C)c1 ZINC000834904056 587769847 /nfs/dbraw/zinc/76/98/47/587769847.db2.gz VCBSJCPPLCYXLZ-LBPRGKRZSA-N 1 0 239.322 2.252 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](COC)C2CC2)c1 ZINC000834902215 587770113 /nfs/dbraw/zinc/77/01/13/587770113.db2.gz FPVUXHMEVLZAFK-HNNXBMFYSA-N 1 0 229.323 2.183 20 30 BEEDRO c1nncn1[NH+]=C1CCCc2ccccc2C1 ZINC000834911543 587770242 /nfs/dbraw/zinc/77/02/42/587770242.db2.gz CASDJDKLORXRMX-UHFFFAOYSA-N 1 0 226.283 2.061 20 30 BEEDRO CCC(CC)N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834959165 587772664 /nfs/dbraw/zinc/77/26/64/587772664.db2.gz FXBIYBWKLINXII-UHFFFAOYSA-N 1 0 246.358 2.482 20 30 BEEDRO CC(C)ON=Cc1cccc2nccn21 ZINC000835001105 587776781 /nfs/dbraw/zinc/77/67/81/587776781.db2.gz UNMZKCFGHDMELV-UHFFFAOYSA-N 1 0 203.245 2.093 20 30 BEEDRO C[C@@H]1CC(=NNCc2ccccc2F)CC[N@@H+]1C ZINC000835011318 587777700 /nfs/dbraw/zinc/77/77/00/587777700.db2.gz LODYNJUPUVCPGZ-LLVKDONJSA-N 1 0 249.333 2.385 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052943 587779533 /nfs/dbraw/zinc/77/95/33/587779533.db2.gz RELAGCRJUVUJBN-FWWRYZNZSA-N 1 0 228.339 2.377 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1 ZINC000835085949 587781580 /nfs/dbraw/zinc/78/15/80/587781580.db2.gz CXYDOUPYXCPEBL-WFASDCNBSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CC[N@H+](C)CCCOc1ccc(C#N)cc1 ZINC000121414764 587807147 /nfs/dbraw/zinc/80/71/47/587807147.db2.gz RDVZXLKGZNFMAB-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(C)CCCC[C@H]1C ZINC000837253743 587861449 /nfs/dbraw/zinc/86/14/49/587861449.db2.gz LQDXXESPUYTVGU-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)[C@@H]1C[C@H]1C)[C@H]1CCCO1 ZINC000840744985 587919075 /nfs/dbraw/zinc/91/90/75/587919075.db2.gz BOOWJNNCQKTXRR-XGFWRYKXSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)[C@@H]1C[C@@H]1C)[C@@H]1CCCO1 ZINC000840744986 587919168 /nfs/dbraw/zinc/91/91/68/587919168.db2.gz BOOWJNNCQKTXRR-ZSLBOAEBSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840944832 587931230 /nfs/dbraw/zinc/93/12/30/587931230.db2.gz FEHUBKQSOGQMBP-GFCCVEGCSA-N 1 0 216.328 2.172 20 30 BEEDRO COCCO[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841627866 587961660 /nfs/dbraw/zinc/96/16/60/587961660.db2.gz FGPWDMNMPJTVGI-UHFFFAOYSA-N 1 0 236.315 2.058 20 30 BEEDRO COC[C@H](C)N[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841630492 587961943 /nfs/dbraw/zinc/96/19/43/587961943.db2.gz GRZWFYANPQJQDD-LBPRGKRZSA-N 1 0 249.358 2.019 20 30 BEEDRO Cc1cc(N(C)C)ccc1C=[NH+]NC1CC1 ZINC000841631521 587962546 /nfs/dbraw/zinc/96/25/46/587962546.db2.gz HEIZGXFVLRZQDX-UHFFFAOYSA-N 1 0 217.316 2.147 20 30 BEEDRO CCCCCCC[C@@H](C)CNC(=O)NCC[NH3+] ZINC000841723250 587973376 /nfs/dbraw/zinc/97/33/76/587973376.db2.gz IRUDWQFGCSIEFW-GFCCVEGCSA-N 1 0 243.395 2.241 20 30 BEEDRO C=CC[N@@H+](Cc1cncn1CC)C(C)C ZINC000841831298 587976379 /nfs/dbraw/zinc/97/63/79/587976379.db2.gz SRWOPDYGFIAZBF-UHFFFAOYSA-N 1 0 207.321 2.299 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842157741 588004445 /nfs/dbraw/zinc/00/44/45/588004445.db2.gz USMGIDOFQIARBL-AWEZNQCLSA-N 1 0 230.311 2.100 20 30 BEEDRO CC[C@H]([NH2+]CCO[C@@H](C)C#N)[C@@H]1CC1(C)C ZINC000842163391 588005828 /nfs/dbraw/zinc/00/58/28/588005828.db2.gz LYYYRLOXPXZEGX-SRVKXCTJSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCCO[C@H](C)c1nc([C@H](C)C[NH2+]C)no1 ZINC000842584059 588044198 /nfs/dbraw/zinc/04/41/98/588044198.db2.gz ZBFMCDZOHBZVII-NXEZZACHSA-N 1 0 239.319 2.046 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CN2C(=O)CCC2(C)C)C1 ZINC000842629543 588046963 /nfs/dbraw/zinc/04/69/63/588046963.db2.gz PGJICGJWIJRNOJ-CYBMUJFWSA-N 1 0 248.370 2.080 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@H]2CCC[NH2+]2)n1 ZINC000843235802 588094751 /nfs/dbraw/zinc/09/47/51/588094751.db2.gz VDUFSQNDRIKRGT-SNVBAGLBSA-N 1 0 235.331 2.218 20 30 BEEDRO C=CCCc1noc(C[C@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000843237745 588094777 /nfs/dbraw/zinc/09/47/77/588094777.db2.gz FKVPHTKDEDGYBT-NWDGAFQWSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCC(C)(C)c1noc(CC(C)(C)[NH3+])n1 ZINC000843235608 588094881 /nfs/dbraw/zinc/09/48/81/588094881.db2.gz SULPSSVWBVAGRF-UHFFFAOYSA-N 1 0 223.320 2.203 20 30 BEEDRO C=CCOc1ccc(CN(C)C[C@@H](C)[NH3+])cc1 ZINC000843356724 588103956 /nfs/dbraw/zinc/10/39/56/588103956.db2.gz XGMGHRURKBDYGP-GFCCVEGCSA-N 1 0 234.343 2.030 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](Cc2cncs2)C1 ZINC000843423751 588107727 /nfs/dbraw/zinc/10/77/27/588107727.db2.gz JGCAXIKUYJNMLT-LLVKDONJSA-N 1 0 220.341 2.378 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccn(C)c2)C1 ZINC000843423916 588107885 /nfs/dbraw/zinc/10/78/85/588107885.db2.gz LNPPZBCXERZNLP-CYBMUJFWSA-N 1 0 216.328 2.260 20 30 BEEDRO C#CC1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000843427300 588108605 /nfs/dbraw/zinc/10/86/05/588108605.db2.gz ZBTLLJAKSWVZTG-CYBMUJFWSA-N 1 0 205.301 2.024 20 30 BEEDRO C#CCC[N@@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000844363973 588187750 /nfs/dbraw/zinc/18/77/50/588187750.db2.gz MEJVUFRDMVXLGZ-VXGBXAGGSA-N 1 0 237.343 2.204 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436561 588193012 /nfs/dbraw/zinc/19/30/12/588193012.db2.gz HGLIREZWXJKKMK-NWDGAFQWSA-N 1 0 245.313 2.435 20 30 BEEDRO CC(C)CC(=NNC(N)=[NH2+])c1ccc(F)cc1 ZINC000844576655 588203918 /nfs/dbraw/zinc/20/39/18/588203918.db2.gz RSAUAMCPPFFYQR-UHFFFAOYSA-N 1 0 236.294 2.059 20 30 BEEDRO C=C[C@@H](C)O[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000844625642 588210972 /nfs/dbraw/zinc/21/09/72/588210972.db2.gz SJHZHAOQGWNBLL-GFCCVEGCSA-N 1 0 248.326 2.040 20 30 BEEDRO C#CCCCCC(=O)O[C@@H](C)C[NH+]1CCCC1 ZINC000845662815 588239957 /nfs/dbraw/zinc/23/99/57/588239957.db2.gz KFLANSFXBTUTPG-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[S@@](=O)CC)C1 ZINC000845935727 588250677 /nfs/dbraw/zinc/25/06/77/588250677.db2.gz ARRLVMDZGJONOO-JMSVASOKSA-N 1 0 229.389 2.089 20 30 BEEDRO C#CCCC[NH2+][C@@H](COC)CC(C)(C)C ZINC000845943193 588251167 /nfs/dbraw/zinc/25/11/67/588251167.db2.gz BBNMRZXODKLILJ-GFCCVEGCSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)OCCO2)C1 ZINC000845945840 588251191 /nfs/dbraw/zinc/25/11/91/588251191.db2.gz MVCVTZSRQKECCZ-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)OCCO2)C1 ZINC000845945837 588251265 /nfs/dbraw/zinc/25/12/65/588251265.db2.gz MVCVTZSRQKECCZ-NEPJUHHUSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCC2(C)OCCO2)C1 ZINC000845954290 588251462 /nfs/dbraw/zinc/25/14/62/588251462.db2.gz NEICYMCRWQYAJB-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000845958231 588251732 /nfs/dbraw/zinc/25/17/32/588251732.db2.gz KSWXDTFSJUMDBV-CHWSQXEVSA-N 1 0 233.359 2.297 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](COC)CC(C)(C)C ZINC000845972464 588252412 /nfs/dbraw/zinc/25/24/12/588252412.db2.gz OWDICTRALQCGFR-VXGBXAGGSA-N 1 0 211.349 2.439 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC1(C#N)CCCC1 ZINC000846010266 588253300 /nfs/dbraw/zinc/25/33/00/588253300.db2.gz HUVBDCKIJQXEME-OCCSQVGLSA-N 1 0 247.386 2.143 20 30 BEEDRO CC[N@@H+]1CC[C@@H](NCC2(C#N)CCCC2)[C@H](C)C1 ZINC000846011775 588253410 /nfs/dbraw/zinc/25/34/10/588253410.db2.gz ZBMNSWXDQFJBBN-ZIAGYGMSSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@@H+]1C1CC1 ZINC000846011019 588253462 /nfs/dbraw/zinc/25/34/62/588253462.db2.gz QNGQGZAEJQPZDJ-QWHCGFSZSA-N 1 0 247.386 2.285 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000846694839 588283037 /nfs/dbraw/zinc/28/30/37/588283037.db2.gz RIRXMMBJYCSPSV-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C=C(C)C[N@@H+](C)CC1(Br)CC1 ZINC000846847002 588293140 /nfs/dbraw/zinc/29/31/40/588293140.db2.gz FJNZXRCPZZZMDJ-UHFFFAOYSA-N 1 0 218.138 2.422 20 30 BEEDRO CC1(C#N)CN(CCc2cccs2)C1 ZINC000846889552 588295412 /nfs/dbraw/zinc/29/54/12/588295412.db2.gz UWLNHFNSEUZTFR-UHFFFAOYSA-N 1 0 206.314 2.136 20 30 BEEDRO C#C[C@H]1COCCN1CCC(C)(C)C1CC1 ZINC000846990952 588300569 /nfs/dbraw/zinc/30/05/69/588300569.db2.gz GRBDOFDIGDWBGC-ZDUSSCGKSA-N 1 0 221.344 2.147 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CC1(Cl)Cl ZINC000846993186 588300616 /nfs/dbraw/zinc/30/06/16/588300616.db2.gz MWNLJZDUWYYBQX-HTQZYQBOSA-N 1 0 221.131 2.462 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000846996302 588300943 /nfs/dbraw/zinc/30/09/43/588300943.db2.gz WGKFEFPVGBXBMF-KGLIPLIRSA-N 1 0 232.327 2.176 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCSC(C)C)C1 ZINC000847018589 588301762 /nfs/dbraw/zinc/30/17/62/588301762.db2.gz LMOZHBDIIZFWOG-LBPRGKRZSA-N 1 0 211.374 2.473 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000847018594 588301853 /nfs/dbraw/zinc/30/18/53/588301853.db2.gz LOSGRRKRYLDAQO-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000847018522 588302022 /nfs/dbraw/zinc/30/20/22/588302022.db2.gz KVPPJQDDZPOUOT-OAHLLOKOSA-N 1 0 223.319 2.383 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccnc2C)C1 ZINC000847019934 588302295 /nfs/dbraw/zinc/30/22/95/588302295.db2.gz SXDZPKUJIWKBOY-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000847019539 588302319 /nfs/dbraw/zinc/30/23/19/588302319.db2.gz RFTLPTXKKGHJMP-GFCCVEGCSA-N 1 0 244.294 2.440 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000847020968 588302621 /nfs/dbraw/zinc/30/26/21/588302621.db2.gz GZKZBPKDFOVGGC-CHWSQXEVSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCCc2ccncc2)C1 ZINC000847022153 588302731 /nfs/dbraw/zinc/30/27/31/588302731.db2.gz SMKDHOKTGYQKLV-CQSZACIVSA-N 1 0 228.339 2.359 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000847022650 588303081 /nfs/dbraw/zinc/30/30/81/588303081.db2.gz IKZLLNICQUSORZ-GFCCVEGCSA-N 1 0 244.294 2.440 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCCCC(=O)OCC)C1 ZINC000847024741 588303939 /nfs/dbraw/zinc/30/39/39/588303939.db2.gz KUOCBQTYQLAUAE-CYBMUJFWSA-N 1 0 237.343 2.065 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCc2cccc(C)n2)C1 ZINC000847033672 588304440 /nfs/dbraw/zinc/30/44/40/588304440.db2.gz FZLWGUQVKXAEGD-CQSZACIVSA-N 1 0 228.339 2.278 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000847047763 588305093 /nfs/dbraw/zinc/30/50/93/588305093.db2.gz YGRMJCYSHATQRF-ZDUSSCGKSA-N 1 0 242.322 2.300 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000847079589 588305872 /nfs/dbraw/zinc/30/58/72/588305872.db2.gz MHZXJFUJDPSNKC-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCCCCCNC(=O)C1([NH+](C)C)CCC1 ZINC000848293483 588371218 /nfs/dbraw/zinc/37/12/18/588371218.db2.gz NUILFQRYIGGHSG-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@@H](C)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848409513 588379644 /nfs/dbraw/zinc/37/96/44/588379644.db2.gz YEISZYLMGQWDQZ-YPMHNXCESA-N 1 0 223.364 2.379 20 30 BEEDRO C=C(C)CNN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848411346 588380316 /nfs/dbraw/zinc/38/03/16/588380316.db2.gz OIKVQASDJIHTIZ-CYBMUJFWSA-N 1 0 221.348 2.156 20 30 BEEDRO C[C@@H](C#N)OCCOc1cc[nH+]c2c1CCCC2 ZINC000848524180 588392124 /nfs/dbraw/zinc/39/21/24/588392124.db2.gz CLJKXRCXRUMICO-NSHDSACASA-N 1 0 246.310 2.268 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(Cl)n1C ZINC000848538271 588394561 /nfs/dbraw/zinc/39/45/61/588394561.db2.gz WJZPAFSZJDQPBI-MRVPVSSYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848904234 588418758 /nfs/dbraw/zinc/41/87/58/588418758.db2.gz NZLJLVXEBRLYRA-FPLPWBNLSA-N 1 0 235.283 2.084 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(CC)c1O ZINC000848907063 588419715 /nfs/dbraw/zinc/41/97/15/588419715.db2.gz HXTIFGKXHBFPDE-LLVKDONJSA-N 1 0 217.312 2.408 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000848923107 588420519 /nfs/dbraw/zinc/42/05/19/588420519.db2.gz GFLDASHZRBNQQZ-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000848923484 588421247 /nfs/dbraw/zinc/42/12/47/588421247.db2.gz LVIBIDPUKKVOBN-CYBMUJFWSA-N 1 0 241.334 2.467 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1 ZINC000848928760 588421693 /nfs/dbraw/zinc/42/16/93/588421693.db2.gz MZKBZOWYBGOKEY-LBPRGKRZSA-N 1 0 229.323 2.013 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cccc(OC(C)C)c1 ZINC000848984923 588425208 /nfs/dbraw/zinc/42/52/08/588425208.db2.gz LRMZDKMXFZTPKB-UHFFFAOYSA-N 1 0 247.342 2.274 20 30 BEEDRO C[NH+]=C(NCc1ccc([C@@H]2C[C@H]2C)o1)NC1CC1 ZINC000848985964 588425390 /nfs/dbraw/zinc/42/53/90/588425390.db2.gz LBXGBWLHSGQZLW-BXKDBHETSA-N 1 0 247.342 2.230 20 30 BEEDRO C[NH+]=C(NCC1CCC(F)(F)CC1)NC1CC1 ZINC000848987144 588426496 /nfs/dbraw/zinc/42/64/96/588426496.db2.gz KFRSZADJFUKHII-UHFFFAOYSA-N 1 0 245.317 2.139 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH+]=C(NCc1ccccc1)N(C)C ZINC000848990633 588427055 /nfs/dbraw/zinc/42/70/55/588427055.db2.gz SBXIUCVBKRQFIZ-OCCSQVGLSA-N 1 0 245.370 2.350 20 30 BEEDRO C[C@H]1C[NH+]=C(NCCC(C)(C)c2ccccc2)N1 ZINC000848997815 588430058 /nfs/dbraw/zinc/43/00/58/588430058.db2.gz KVKGIOKXWAVGGE-LBPRGKRZSA-N 1 0 245.370 2.292 20 30 BEEDRO CCNC(NCc1c(C)cccc1F)=[NH+]CC ZINC000849009911 588434376 /nfs/dbraw/zinc/43/43/76/588434376.db2.gz IUSVNQQVCQTPDO-UHFFFAOYSA-N 1 0 237.322 2.209 20 30 BEEDRO CCNC(NC[C@H](SC)C(C)(C)C)=[NH+]CC ZINC000849017732 588437759 /nfs/dbraw/zinc/43/77/59/588437759.db2.gz FFUFWPVKODFPFT-JTQLQIEISA-N 1 0 245.436 2.339 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](SC)C(C)(C)C ZINC000849017899 588437830 /nfs/dbraw/zinc/43/78/30/588437830.db2.gz MGNNEIUBSNNYRQ-SECBINFHSA-N 1 0 229.393 2.064 20 30 BEEDRO C#C[C@H](C)NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849020347 588438462 /nfs/dbraw/zinc/43/84/62/588438462.db2.gz ZDDKXCBZSYWPSC-JTQLQIEISA-N 1 0 215.300 2.207 20 30 BEEDRO C#C[C@@H](C)NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000849020348 588438478 /nfs/dbraw/zinc/43/84/78/588438478.db2.gz ZDDKXCBZSYWPSC-SNVBAGLBSA-N 1 0 215.300 2.207 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])NCc1ccc(C)cc1 ZINC000849021783 588439330 /nfs/dbraw/zinc/43/93/30/588439330.db2.gz HRQKUCPNJCJZSP-CQSZACIVSA-N 1 0 243.354 2.411 20 30 BEEDRO C=C(CNC(NC1CC1)=[NH+]C)c1ccccc1 ZINC000849028674 588441808 /nfs/dbraw/zinc/44/18/08/588441808.db2.gz UZXQNOHOGGTQLV-UHFFFAOYSA-N 1 0 229.327 2.027 20 30 BEEDRO C[NH+]=C(NCC(C)(C)C(C)(C)C)NC1CC1 ZINC000849030980 588442823 /nfs/dbraw/zinc/44/28/23/588442823.db2.gz OHHWXWLFOTXJJD-UHFFFAOYSA-N 1 0 225.380 2.386 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000849032035 588443214 /nfs/dbraw/zinc/44/32/14/588443214.db2.gz JZZFEJUTUANWGP-SECBINFHSA-N 1 0 231.290 2.112 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])N1CCCCC1 ZINC000849035670 588444985 /nfs/dbraw/zinc/44/49/85/588444985.db2.gz OAXDTGGAOFSPEB-UHFFFAOYSA-N 1 0 209.337 2.209 20 30 BEEDRO C=C(CC)CNC(=[NH2+])NCCc1cccs1 ZINC000849038687 588446481 /nfs/dbraw/zinc/44/64/81/588446481.db2.gz SIIONMFQSOTZNK-UHFFFAOYSA-N 1 0 237.372 2.371 20 30 BEEDRO C=CCNC(=[NH2+])NCC1(C2CCC2)CCC1 ZINC000849039112 588446660 /nfs/dbraw/zinc/44/66/60/588446660.db2.gz IVZDGMOVCFVORU-UHFFFAOYSA-N 1 0 221.348 2.257 20 30 BEEDRO C[NH+]=C(NCC(C)(C)C1=CCCC1)NC1CC1 ZINC000849039314 588446851 /nfs/dbraw/zinc/44/68/51/588446851.db2.gz SCCLSUZHGBGNIA-UHFFFAOYSA-N 1 0 235.375 2.450 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@@H]1C[C@]1(C)C(C)C ZINC000849040790 588447427 /nfs/dbraw/zinc/44/74/27/588447427.db2.gz SQCFKXWJHOXUTK-TZMCWYRMSA-N 1 0 249.358 2.379 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849045376 588449416 /nfs/dbraw/zinc/44/94/16/588449416.db2.gz XELKLZNAZRHGBN-NSHDSACASA-N 1 0 244.342 2.165 20 30 BEEDRO C[NH+]=C(NC[C@H]1C[C@@H]1c1ccccc1)NC1CC1 ZINC000849045928 588450006 /nfs/dbraw/zinc/45/00/06/588450006.db2.gz SIPXJAQNRXJTCA-TZMCWYRMSA-N 1 0 243.354 2.118 20 30 BEEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H]1CC(C)(C)C ZINC000849046664 588450215 /nfs/dbraw/zinc/45/02/15/588450215.db2.gz BLYDPBKOFQVGJG-VHSXEESVSA-N 1 0 209.337 2.111 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC[C@@]1(C)C[C@]1(F)Cl ZINC000849047528 588450816 /nfs/dbraw/zinc/45/08/16/588450816.db2.gz MEZLJMYKHMCDHH-WDEREUQCSA-N 1 0 247.745 2.381 20 30 BEEDRO C=CCCCCCNC(=[NH2+])N(C)C1CC1 ZINC000849050268 588451451 /nfs/dbraw/zinc/45/14/51/588451451.db2.gz XHZLXUUSGZDUHP-UHFFFAOYSA-N 1 0 209.337 2.351 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC/C=C\c1ccccc1 ZINC000849077022 588452155 /nfs/dbraw/zinc/45/21/55/588452155.db2.gz GFRJRWOXXHQWFE-TWGQIWQCSA-N 1 0 229.327 2.390 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@@](C)(c2ccccc2)C1 ZINC000849366892 588476072 /nfs/dbraw/zinc/47/60/72/588476072.db2.gz HTEGKDVXWLLPIL-DPEHCCBOSA-N 1 0 245.370 2.197 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(F)nc1C ZINC000850377943 588542342 /nfs/dbraw/zinc/54/23/42/588542342.db2.gz PJFPPKTUJCFRRY-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C#CCCCC[NH2+]C1CC(CF)(CF)C1 ZINC000850445238 588546979 /nfs/dbraw/zinc/54/69/79/588546979.db2.gz QLWUZKJMKJECJI-UHFFFAOYSA-N 1 0 215.287 2.467 20 30 BEEDRO CCCCCCCC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000109348542 588547460 /nfs/dbraw/zinc/54/74/60/588547460.db2.gz ZROIKZSXOORJLF-ZDUSSCGKSA-N 1 0 240.391 2.415 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000850449901 588547659 /nfs/dbraw/zinc/54/76/59/588547659.db2.gz YYTRRUGWJNBVQQ-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000850487743 588552259 /nfs/dbraw/zinc/55/22/59/588552259.db2.gz JDPZXAJKJBNYHQ-FZMZJTMJSA-N 1 0 214.312 2.489 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)C1 ZINC000850526465 588556738 /nfs/dbraw/zinc/55/67/38/588556738.db2.gz VDOVQTSAOWWWCY-UPJWGTAASA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000850532828 588557680 /nfs/dbraw/zinc/55/76/80/588557680.db2.gz XRDVUECENYBIAS-QWHCGFSZSA-N 1 0 209.333 2.357 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2SCCS2)C1 ZINC000850562078 588560765 /nfs/dbraw/zinc/56/07/65/588560765.db2.gz SWDYMUARMLTWKG-BDAKNGLRSA-N 1 0 228.386 2.074 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2SCCS2)C1 ZINC000850562081 588560921 /nfs/dbraw/zinc/56/09/21/588560921.db2.gz SWDYMUARMLTWKG-DTWKUNHWSA-N 1 0 228.386 2.074 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2SCCS2)C1 ZINC000850561868 588560927 /nfs/dbraw/zinc/56/09/27/588560927.db2.gz UZVSRHSZNDNFDO-UWVGGRQHSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CCOCC[N@H+](Cc1cccs1)C1CC1 ZINC000851717121 588616454 /nfs/dbraw/zinc/61/64/54/588616454.db2.gz PBNPYTNIRLHWHT-UHFFFAOYSA-N 1 0 235.352 2.362 20 30 BEEDRO C=CC[N@H+](C[C@H](O)c1ccccn1)C(C)C ZINC000851731030 588619469 /nfs/dbraw/zinc/61/94/69/588619469.db2.gz JFIKPJGYDSDOMR-ZDUSSCGKSA-N 1 0 220.316 2.011 20 30 BEEDRO C=CC[N@H+](C[C@H]1COC(C)(C)O1)C(C)C ZINC000851731515 588619660 /nfs/dbraw/zinc/61/96/60/588619660.db2.gz SNXFEFWRZBBAJV-NSHDSACASA-N 1 0 213.321 2.034 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCOC(F)F ZINC000851778315 588626753 /nfs/dbraw/zinc/62/67/53/588626753.db2.gz GRPCSBORLPASJG-UHFFFAOYSA-N 1 0 220.263 2.097 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cccc(F)c2[C@@H]1C ZINC000851779363 588626855 /nfs/dbraw/zinc/62/68/55/588626855.db2.gz SMDXZUNVIBHIFC-LBPRGKRZSA-N 1 0 247.313 2.395 20 30 BEEDRO C#CCOCC[N@H+]1Cc2ccccc2C[C@@H]1C ZINC000851783021 588627922 /nfs/dbraw/zinc/62/79/22/588627922.db2.gz HCHICBWDBROLCO-ZDUSSCGKSA-N 1 0 229.323 2.083 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@](C)(CC)C1 ZINC000851790940 588629056 /nfs/dbraw/zinc/62/90/56/588629056.db2.gz RYRNNUNQQRPXJT-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CC[C@@H](SCC)C1 ZINC000851792504 588629090 /nfs/dbraw/zinc/62/90/90/588629090.db2.gz POLGDBZDMOZKHT-QWHCGFSZSA-N 1 0 241.400 2.242 20 30 BEEDRO C#CCOCC[N@H+]1CCC(CC)(CC)C1 ZINC000851807747 588631477 /nfs/dbraw/zinc/63/14/77/588631477.db2.gz ICTQVRYJWJXHNN-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[N@@H+](CCO[C@H]1CC1(F)F)C1CCCC1 ZINC000851808141 588631842 /nfs/dbraw/zinc/63/18/42/588631842.db2.gz KUQBLJIVIUCNOL-LBPRGKRZSA-N 1 0 243.297 2.288 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H]1c1ccc(O)cc1 ZINC000851824086 588633320 /nfs/dbraw/zinc/63/33/20/588633320.db2.gz BVPPJGNYYZBUJA-HNNXBMFYSA-N 1 0 245.322 2.179 20 30 BEEDRO C#CCOCC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000851840062 588634482 /nfs/dbraw/zinc/63/44/82/588634482.db2.gz MJSKLHVXFYUGAJ-UHFFFAOYSA-N 1 0 233.286 2.054 20 30 BEEDRO N#Cc1ccc(CC[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000851877886 588638519 /nfs/dbraw/zinc/63/85/19/588638519.db2.gz UYJYTOQJAVJAST-UONOGXRCSA-N 1 0 212.296 2.195 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000851889899 588641037 /nfs/dbraw/zinc/64/10/37/588641037.db2.gz RQVFAGHWVWTBNL-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C[C@@H]1CCOCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000851907736 588642447 /nfs/dbraw/zinc/64/24/47/588642447.db2.gz WLOIMEKXUAYFOO-CYBMUJFWSA-N 1 0 244.338 2.212 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000851923927 588644409 /nfs/dbraw/zinc/64/44/09/588644409.db2.gz KNZKADQYFINKEC-MRXNPFEDSA-N 1 0 243.350 2.434 20 30 BEEDRO C#CCOCC[N@H+]1Cc2ccccc2C[C@@H]1CC ZINC000851941778 588646276 /nfs/dbraw/zinc/64/62/76/588646276.db2.gz NBZXNAMQRBXYMK-INIZCTEOSA-N 1 0 243.350 2.473 20 30 BEEDRO C#C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCO1 ZINC000851949814 588647021 /nfs/dbraw/zinc/64/70/21/588647021.db2.gz JTGPNEBPRDINGQ-KGLIPLIRSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCC[N@@H+](C)CC[C@H]1COC(C)(C)O1 ZINC000851974150 588649980 /nfs/dbraw/zinc/64/99/80/588649980.db2.gz TUNBNIMHFGDTRI-NSHDSACASA-N 1 0 213.321 2.036 20 30 BEEDRO C#CC[N@@H+](CCC(OC)OC)Cc1ccccc1 ZINC000852046111 588657560 /nfs/dbraw/zinc/65/75/60/588657560.db2.gz QGQOYWWIBXNHGK-UHFFFAOYSA-N 1 0 247.338 2.131 20 30 BEEDRO CO[C@H]1CC[C@@H]([N@H+](C)CC(C)(C)C#N)C1 ZINC000852088543 588660978 /nfs/dbraw/zinc/66/09/78/588660978.db2.gz KRXKIQSFALGTLO-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@@H]1CC[C@@H]([N@H+](C)CC(C)(C)C#N)C1 ZINC000852088542 588661065 /nfs/dbraw/zinc/66/10/65/588661065.db2.gz KRXKIQSFALGTLO-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1ccccc1C#N ZINC000852099034 588662593 /nfs/dbraw/zinc/66/25/93/588662593.db2.gz BVLRFYCFYPPWEN-HNNXBMFYSA-N 1 0 242.322 2.329 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000852101353 588663047 /nfs/dbraw/zinc/66/30/47/588663047.db2.gz DFXWQRKYWDJRHZ-CABCVRRESA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1ccccc1C ZINC000852101721 588663160 /nfs/dbraw/zinc/66/31/60/588663160.db2.gz HOVLZNYZYOVNTN-CABCVRRESA-N 1 0 231.339 2.420 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000852149478 588667628 /nfs/dbraw/zinc/66/76/28/588667628.db2.gz IRTBFXKNEBWNSS-RDBSUJKOSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000852185186 588670709 /nfs/dbraw/zinc/67/07/09/588670709.db2.gz VPPIEXYXWBIZLS-NSHDSACASA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC000852206328 588671375 /nfs/dbraw/zinc/67/13/75/588671375.db2.gz HCLOZVQOLNYRBB-VXGBXAGGSA-N 1 0 243.297 2.146 20 30 BEEDRO C#CCOCC[NH2+]C1(c2ccccc2C)CC1 ZINC000852206557 588671627 /nfs/dbraw/zinc/67/16/27/588671627.db2.gz MJZOJIMGKLCMCX-UHFFFAOYSA-N 1 0 229.323 2.224 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](OC)C2)C1 ZINC000852207003 588671827 /nfs/dbraw/zinc/67/18/27/588671827.db2.gz WTJVLVOSLVIABK-RDBSUJKOSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](OC)C2)C1 ZINC000852207000 588671916 /nfs/dbraw/zinc/67/19/16/588671916.db2.gz WTJVLVOSLVIABK-HZSPNIEDSA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000852217066 588673673 /nfs/dbraw/zinc/67/36/73/588673673.db2.gz SZVHMOQYFBKZEV-TZMCWYRMSA-N 1 0 221.344 2.147 20 30 BEEDRO N#CC[C@H]1CCCN(Cc2ccc(F)cn2)C1 ZINC000852319346 588677967 /nfs/dbraw/zinc/67/79/67/588677967.db2.gz KTQRQRXUASCPLH-LLVKDONJSA-N 1 0 233.290 2.346 20 30 BEEDRO COC(C[NH2+]C(C)(C)c1cccc(C#N)c1)OC ZINC000852353364 588679273 /nfs/dbraw/zinc/67/92/73/588679273.db2.gz DTRVPPIDBRUKRA-UHFFFAOYSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CCCCC[N@@H+](CCF)CCOC ZINC000852480260 588682614 /nfs/dbraw/zinc/68/26/14/588682614.db2.gz SKJXMRIXBYBJKG-UHFFFAOYSA-N 1 0 203.301 2.261 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000852495372 588685345 /nfs/dbraw/zinc/68/53/45/588685345.db2.gz JKLPZFALRVWQDL-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000852561601 588690929 /nfs/dbraw/zinc/69/09/29/588690929.db2.gz QIXCQCJVBUYCEC-GJZGRUSLSA-N 1 0 245.370 2.134 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000852596820 588691460 /nfs/dbraw/zinc/69/14/60/588691460.db2.gz OCEQLXIRLPSJIE-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCOCC[NH2+]C1(CC=C)CCCC1 ZINC000852587687 588692270 /nfs/dbraw/zinc/69/22/70/588692270.db2.gz BAWRTHWUBCSFBB-UHFFFAOYSA-N 1 0 207.317 2.115 20 30 BEEDRO C#CCC[NH2+][C@@H](CC)c1nnc2n1CCCCC2 ZINC000852628188 588692952 /nfs/dbraw/zinc/69/29/52/588692952.db2.gz PJPCALABPUWWMC-LBPRGKRZSA-N 1 0 246.358 2.069 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000852652111 588694002 /nfs/dbraw/zinc/69/40/02/588694002.db2.gz YXSRNSYYPNFUNB-HIFPTAJRSA-N 1 0 227.323 2.143 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C(\C)C(=O)OC ZINC000852686582 588695749 /nfs/dbraw/zinc/69/57/49/588695749.db2.gz XYUNBPAWDXBHKJ-OMEBZCPDSA-N 1 0 235.327 2.289 20 30 BEEDRO CCCCCCCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000110795216 588696438 /nfs/dbraw/zinc/69/64/38/588696438.db2.gz NNLSDEMYBSLIFZ-CYBMUJFWSA-N 1 0 240.391 2.463 20 30 BEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)C12CC(C1)C2 ZINC000860611358 589109696 /nfs/dbraw/zinc/10/96/96/589109696.db2.gz OCWSXACXKNNWKN-OPFPJEHXSA-N 1 0 249.354 2.063 20 30 BEEDRO CCCCCCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000861637537 589171630 /nfs/dbraw/zinc/17/16/30/589171630.db2.gz DXWAWAQWWLCTJX-LBPRGKRZSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCNC(=O)NC1CC[NH2+]CC1 ZINC000861637462 589171745 /nfs/dbraw/zinc/17/17/45/589171745.db2.gz LLHSQAIZCFAARJ-UHFFFAOYSA-N 1 0 241.379 2.008 20 30 BEEDRO C#CCSCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000862280553 589199207 /nfs/dbraw/zinc/19/92/07/589199207.db2.gz LJPBOTUHVLORDS-UHFFFAOYSA-N 1 0 236.340 2.008 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000862364017 589204650 /nfs/dbraw/zinc/20/46/50/589204650.db2.gz YZWLOBBYNMBOGP-SECBINFHSA-N 1 0 238.281 2.142 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnc(F)c1)C(C)(C)C ZINC000862369216 589205141 /nfs/dbraw/zinc/20/51/41/589205141.db2.gz RLLNPMOSKKFJIG-LLVKDONJSA-N 1 0 220.291 2.358 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnc(F)c1)C(C)(C)C ZINC000862369217 589205295 /nfs/dbraw/zinc/20/52/95/589205295.db2.gz RLLNPMOSKKFJIG-NSHDSACASA-N 1 0 220.291 2.358 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862401639 589209521 /nfs/dbraw/zinc/20/95/21/589209521.db2.gz HMEGJYWLZCHBTF-LLVKDONJSA-N 1 0 230.311 2.397 20 30 BEEDRO C#CCCN(CCOC)Cc1cnc(C2CC2)o1 ZINC000862417561 589212029 /nfs/dbraw/zinc/21/20/29/589212029.db2.gz DTEJYUTYOWAXMC-UHFFFAOYSA-N 1 0 248.326 2.024 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(OC)cc(C)n2)C1 ZINC000862444565 589213811 /nfs/dbraw/zinc/21/38/11/589213811.db2.gz CBNJHSHZNHUBHP-ZDUSSCGKSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000862444603 589214014 /nfs/dbraw/zinc/21/40/14/589214014.db2.gz DABZOKMYCVDPCV-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000862444023 589214081 /nfs/dbraw/zinc/21/40/81/589214081.db2.gz WLTFYEAGXLKKQX-CYBMUJFWSA-N 1 0 245.370 2.483 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnn(C(C)C)c2)C1 ZINC000862444894 589214647 /nfs/dbraw/zinc/21/46/47/589214647.db2.gz IDUBCSHZNKTMIH-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccnc(F)c2C)C1 ZINC000862447938 589215081 /nfs/dbraw/zinc/21/50/81/589215081.db2.gz SRWATSWDFLEJOX-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CCC=C ZINC000862547332 589219441 /nfs/dbraw/zinc/21/94/41/589219441.db2.gz BOIGQZCUKCMRDD-STQMWFEESA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)c1ccccn1 ZINC000862547600 589219982 /nfs/dbraw/zinc/21/99/82/589219982.db2.gz KNFKDNHHJWGMSX-QWHCGFSZSA-N 1 0 232.327 2.161 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](COC)CC(C)C ZINC000862549072 589220353 /nfs/dbraw/zinc/22/03/53/589220353.db2.gz UPVVFXVLDJYOMF-UONOGXRCSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CC2(CCC2)C1 ZINC000862548610 589220367 /nfs/dbraw/zinc/22/03/67/589220367.db2.gz JETKTRICLNVXGT-LBPRGKRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)C1CCC1 ZINC000862549347 589220503 /nfs/dbraw/zinc/22/05/03/589220503.db2.gz ZZVOXGQZBJOKNC-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)CCC(F)(F)F ZINC000862548922 589220538 /nfs/dbraw/zinc/22/05/38/589220538.db2.gz QVFTTXBAYCDKSX-VHSXEESVSA-N 1 0 237.265 2.345 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)C1CCSCC1 ZINC000862551868 589220672 /nfs/dbraw/zinc/22/06/72/589220672.db2.gz ZWZAHFGAABQXJG-DGCLKSJQSA-N 1 0 241.400 2.146 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)CC1CCOCC1 ZINC000119101895 589242336 /nfs/dbraw/zinc/24/23/36/589242336.db2.gz HHEXDMVJLHFGBN-GFCCVEGCSA-N 1 0 241.400 2.148 20 30 BEEDRO CCCC(=NNC(N)=[NH2+])c1cc(C)sc1C ZINC000863079630 589254956 /nfs/dbraw/zinc/25/49/56/589254956.db2.gz UONCGSXTSOHQMH-UHFFFAOYSA-N 1 0 238.360 2.352 20 30 BEEDRO CCC(=[NH+]NCCOC(C)C)c1ccc(N)cc1 ZINC000863104611 589256193 /nfs/dbraw/zinc/25/61/93/589256193.db2.gz AYWCCFLIMVMIBN-UHFFFAOYSA-N 1 0 249.358 2.398 20 30 BEEDRO CCC(=[NH+]NC1CC1)c1ccc(N)cc1 ZINC000863106776 589256625 /nfs/dbraw/zinc/25/66/25/589256625.db2.gz PFCYOPSTAZYXJH-UHFFFAOYSA-N 1 0 203.289 2.135 20 30 BEEDRO CCC(=[NH+]OC[C@@H]1CCOC1)c1ccc(N)cc1 ZINC000863107191 589257048 /nfs/dbraw/zinc/25/70/48/589257048.db2.gz HGBNDGRHCQOUEL-LLVKDONJSA-N 1 0 248.326 2.436 20 30 BEEDRO CC(=NNc1cc[nH+]c(C)c1)c1csc(C)n1 ZINC000863158656 589264138 /nfs/dbraw/zinc/26/41/38/589264138.db2.gz KUJIXVLRSQQEPK-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO CC(=NNc1cc[nH+]c(C)c1)c1nc(C)cs1 ZINC000863161268 589265480 /nfs/dbraw/zinc/26/54/80/589265480.db2.gz ZZZXJKIESHMSJU-UHFFFAOYSA-N 1 0 246.339 2.413 20 30 BEEDRO CC(=Nn1cccn1)c1ccc(C[NH+](C)C)cc1 ZINC000863163379 589266031 /nfs/dbraw/zinc/26/60/31/589266031.db2.gz AGOJJDACEPTYCR-UHFFFAOYSA-N 1 0 242.326 2.217 20 30 BEEDRO CC(=Nn1cccn1)c1cccc(C[NH+](C)C)c1 ZINC000863163507 589266305 /nfs/dbraw/zinc/26/63/05/589266305.db2.gz GNYRJLCZNGIUIU-UHFFFAOYSA-N 1 0 242.326 2.217 20 30 BEEDRO C[C@H]1C[C@@H]1CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000863455511 589288893 /nfs/dbraw/zinc/28/88/93/589288893.db2.gz LAZMNWXYOIDDSY-CMPLNLGQSA-N 1 0 247.342 2.046 20 30 BEEDRO C=C(C)c1ccc([C@@H]2[NH2+]CC[C@@H]2O)cc1 ZINC000863714252 589312737 /nfs/dbraw/zinc/31/27/37/589312737.db2.gz ULAGBLUNJWSVHI-STQMWFEESA-N 1 0 203.285 2.115 20 30 BEEDRO CCNC(N[C@@H]1C[C@H]1c1ccsc1)=[NH+]CC ZINC000864355354 589355037 /nfs/dbraw/zinc/35/50/37/589355037.db2.gz FGQDXSDTSHBJSH-WDEREUQCSA-N 1 0 237.372 2.179 20 30 BEEDRO CCC(CC)NC(=[NH2+])NCc1cccc(C#N)c1 ZINC000864452156 589365113 /nfs/dbraw/zinc/36/51/13/589365113.db2.gz GMYAGDBGEDNDPQ-UHFFFAOYSA-N 1 0 244.342 2.361 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])NC(CC)CC ZINC000864464582 589370271 /nfs/dbraw/zinc/37/02/71/589370271.db2.gz XSJGUASJNGEXRK-LLVKDONJSA-N 1 0 209.337 2.091 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864464512 589370542 /nfs/dbraw/zinc/37/05/42/589370542.db2.gz WVEVSVSNOXNMBV-NWDGAFQWSA-N 1 0 221.348 2.045 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C(F)=C/CC)CC1 ZINC000865193534 589413871 /nfs/dbraw/zinc/41/38/71/589413871.db2.gz MSZDMKACGUERPF-XGICHPGQSA-N 1 0 240.322 2.016 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865469709 589438576 /nfs/dbraw/zinc/43/85/76/589438576.db2.gz UCQFUZCAHLSPKA-SNVBAGLBSA-N 1 0 230.315 2.023 20 30 BEEDRO C#CCCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000865477856 589439935 /nfs/dbraw/zinc/43/99/35/589439935.db2.gz LVZUECGUBVMGKI-UHFFFAOYSA-N 1 0 231.343 2.186 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCCCF ZINC000865576698 589448800 /nfs/dbraw/zinc/44/88/00/589448800.db2.gz ULJGJGKQBYKTSO-UHFFFAOYSA-N 1 0 249.333 2.464 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865587561 589449197 /nfs/dbraw/zinc/44/91/97/589449197.db2.gz PLVDSCBRDJRIDV-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cn(C2CC2)cn1 ZINC000865599895 589449603 /nfs/dbraw/zinc/44/96/03/589449603.db2.gz WTAAKHXIAMRKHX-UHFFFAOYSA-N 1 0 232.331 2.247 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865593134 589449812 /nfs/dbraw/zinc/44/98/12/589449812.db2.gz JGFBFGSDWKEHGV-UHFFFAOYSA-N 1 0 230.315 2.024 20 30 BEEDRO C=C(CC)C[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865594618 589449838 /nfs/dbraw/zinc/44/98/38/589449838.db2.gz XUKACTJUVCWOGG-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865623863 589452055 /nfs/dbraw/zinc/45/20/55/589452055.db2.gz SOMBQNAHABZWCI-UHFFFAOYSA-N 1 0 218.256 2.199 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000865858142 589465209 /nfs/dbraw/zinc/46/52/09/589465209.db2.gz BVSBAYMNZTWGCO-CVEARBPZSA-N 1 0 241.334 2.469 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CC)C[C@@H](C)O)cc1 ZINC000865874443 589466565 /nfs/dbraw/zinc/46/65/65/589466565.db2.gz XLOKULGGABKLIB-IUODEOHRSA-N 1 0 231.339 2.307 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CC)C[C@H](C)O)cc1 ZINC000865874444 589466658 /nfs/dbraw/zinc/46/66/58/589466658.db2.gz XLOKULGGABKLIB-SWLSCSKDSA-N 1 0 231.339 2.307 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866335676 589486698 /nfs/dbraw/zinc/48/66/98/589486698.db2.gz DQFGJHBGDFYPJJ-KBPBESRZSA-N 1 0 239.359 2.126 20 30 BEEDRO C[C@@H](CCc1cccnc1)[NH2+]CCCC#N ZINC000866337815 589486929 /nfs/dbraw/zinc/48/69/29/589486929.db2.gz ZHDORAYCKUETOH-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)CCc1cccnc1 ZINC000866368323 589488478 /nfs/dbraw/zinc/48/84/78/589488478.db2.gz ABAAFLRXGHQYMI-HIFRSBDPSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866386807 589489295 /nfs/dbraw/zinc/48/92/95/589489295.db2.gz LNTSRAPXXOMBLL-QWHCGFSZSA-N 1 0 209.333 2.500 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000866488038 589497056 /nfs/dbraw/zinc/49/70/56/589497056.db2.gz IVKSIIAFHSZIAO-GWOFURMSSA-N 1 0 210.346 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H](O)C2CCCC2)C1 ZINC000866638018 589506565 /nfs/dbraw/zinc/50/65/65/589506565.db2.gz CHAPNWCENUGDDX-KWCYVHTRSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ncc(Cl)n1C ZINC000122160405 589558038 /nfs/dbraw/zinc/55/80/38/589558038.db2.gz KHWPDFPFZJTMRX-QMMMGPOBSA-N 1 0 213.712 2.128 20 30 BEEDRO CC[C@@H](C[NH+](C)C)OC(=O)CCCCCC#N ZINC000870548530 589673477 /nfs/dbraw/zinc/67/34/77/589673477.db2.gz RPAMEPBAPPHRLM-LBPRGKRZSA-N 1 0 240.347 2.344 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871157686 589741097 /nfs/dbraw/zinc/74/10/97/589741097.db2.gz CZONJTCBNYDLBV-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCc1c(C)nn(-c2cc[nH+]cc2C)c1C ZINC000871953287 589841253 /nfs/dbraw/zinc/84/12/53/589841253.db2.gz JEBZBTFWAKEXQB-UHFFFAOYSA-N 1 0 225.295 2.368 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872050245 589860311 /nfs/dbraw/zinc/86/03/11/589860311.db2.gz ZXJXPPFKACEAQN-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872050242 589860319 /nfs/dbraw/zinc/86/03/19/589860319.db2.gz ZXJXPPFKACEAQN-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCOCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872051315 589861050 /nfs/dbraw/zinc/86/10/50/589861050.db2.gz IVQOGCXFSVORCT-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872076590 589865458 /nfs/dbraw/zinc/86/54/58/589865458.db2.gz NPMCVQIQUXNIMX-FQUUOJAGSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872076592 589865745 /nfs/dbraw/zinc/86/57/45/589865745.db2.gz NPMCVQIQUXNIMX-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C#N)cc1F ZINC000872126705 589876907 /nfs/dbraw/zinc/87/69/07/589876907.db2.gz OXLGKJDWSUYPMM-DLOVCJGASA-N 1 0 248.301 2.119 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127812 589877678 /nfs/dbraw/zinc/87/76/78/589877678.db2.gz YQXTYOAERJKZEN-AAVRWANBSA-N 1 0 223.360 2.482 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000872139662 589880354 /nfs/dbraw/zinc/88/03/54/589880354.db2.gz MXMWRFMIIQHBMT-XDQVBPFNSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H](C)OC)CC1 ZINC000872139478 589880383 /nfs/dbraw/zinc/88/03/83/589880383.db2.gz FZMBDPZMVKKKET-YVECIDJPSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000872139058 589880408 /nfs/dbraw/zinc/88/04/08/589880408.db2.gz DRWXCOFBHJUPGF-SRVKXCTJSA-N 1 0 217.316 2.252 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000872139166 589880410 /nfs/dbraw/zinc/88/04/10/589880410.db2.gz HCZSYVSAPGGWGC-HDJSIYSDSA-N 1 0 246.398 2.395 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CN(C3CC3)C[C@@H]2C)CC1 ZINC000872140253 589880951 /nfs/dbraw/zinc/88/09/51/589880951.db2.gz HIEZBQSRWKWRJU-YXWQFLTLSA-N 1 0 246.398 2.251 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000872140623 589881517 /nfs/dbraw/zinc/88/15/17/589881517.db2.gz UEPQHJMWRHDVNP-XUXIUFHCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](COC)C(C)C)CC1 ZINC000872140615 589881817 /nfs/dbraw/zinc/88/18/17/589881817.db2.gz UATZRKOVIBUMIM-IHRRRGAJSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872220542 589896586 /nfs/dbraw/zinc/89/65/86/589896586.db2.gz ORLIWBDCDRGTIY-LBPRGKRZSA-N 1 0 243.391 2.090 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]CCS(=O)(=O)CC ZINC000872243210 589899511 /nfs/dbraw/zinc/89/95/11/589899511.db2.gz LFNNXMMEHGIHRP-UHFFFAOYSA-N 1 0 247.404 2.003 20 30 BEEDRO C=C(Cl)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872311680 589909271 /nfs/dbraw/zinc/90/92/71/589909271.db2.gz WYBORKAZMQVERS-ZJUUUORDSA-N 1 0 201.697 2.040 20 30 BEEDRO C[C@@H]1C(N=Nc2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000872323969 589912587 /nfs/dbraw/zinc/91/25/87/589912587.db2.gz GQPQLLHJAOYRCB-SECBINFHSA-N 1 0 248.286 2.087 20 30 BEEDRO COc1cccc(N=NC2CC[N@H+](C)[C@H]2C)c1 ZINC000872338112 589914039 /nfs/dbraw/zinc/91/40/39/589914039.db2.gz BLOVYOZBZFASRB-JTQLQIEISA-N 1 0 233.315 2.187 20 30 BEEDRO OCCCCCC=[NH+]n1cnc2ccccc21 ZINC000872339737 589914402 /nfs/dbraw/zinc/91/44/02/589914402.db2.gz WSWSUCJOJPRAKO-UHFFFAOYSA-N 1 0 231.299 2.423 20 30 BEEDRO CCCNN=C1CCC(C)([NH+](C)C)CC1 ZINC000872342470 589914827 /nfs/dbraw/zinc/91/48/27/589914827.db2.gz VSYSHZSEJFDKQW-UHFFFAOYSA-N 1 0 211.353 2.236 20 30 BEEDRO CCC(CC)N[NH+]=Cc1c(C)ccnc1N ZINC000872352329 589916122 /nfs/dbraw/zinc/91/61/22/589916122.db2.gz NKMSQPMCVBKFFR-UHFFFAOYSA-N 1 0 220.320 2.084 20 30 BEEDRO Cc1ccnc(N)c1C=NOC1CCCC1 ZINC000872362056 589919169 /nfs/dbraw/zinc/91/91/69/589919169.db2.gz BXVQVDDQYRBOMY-UHFFFAOYSA-N 1 0 219.288 2.265 20 30 BEEDRO CCNc1ccccc1C=[NH+]N[C@H](C)COC ZINC000872363086 589920134 /nfs/dbraw/zinc/92/01/34/589920134.db2.gz POWZXOPUBXUTPZ-LLVKDONJSA-N 1 0 235.331 2.077 20 30 BEEDRO CCNc1ccccc1C=[NH+]NCCOC(C)C ZINC000872364716 589920467 /nfs/dbraw/zinc/92/04/67/589920467.db2.gz SAKGPWPKBVSAHP-UHFFFAOYSA-N 1 0 249.358 2.467 20 30 BEEDRO Cn1ccnc1N=NC1CCC(C)([NH+](C)C)CC1 ZINC000872370332 589922933 /nfs/dbraw/zinc/92/29/33/589922933.db2.gz XYWGPXAWAAOGGZ-UHFFFAOYSA-N 1 0 249.362 2.082 20 30 BEEDRO C[NH+]1CCC(C=NOC/C=C/Cl)CC1 ZINC000872374808 589924819 /nfs/dbraw/zinc/92/48/19/589924819.db2.gz KEFQOWIEFHWSHG-NMGLEDMASA-N 1 0 216.712 2.083 20 30 BEEDRO C[C@H]1C(N=Nc2cccc(Cl)n2)CC[N@@H+]1C ZINC000872376094 589925746 /nfs/dbraw/zinc/92/57/46/589925746.db2.gz BCJIZIQXUPUWAX-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[NH+]1CCC(C=NOCCC2CC2)CC1 ZINC000872378814 589926963 /nfs/dbraw/zinc/92/69/63/589926963.db2.gz QLAITZKFWHRSNE-UHFFFAOYSA-N 1 0 210.321 2.131 20 30 BEEDRO C[NH+](C)C1(C)CCC(N=Nc2ccncn2)CC1 ZINC000872380880 589928058 /nfs/dbraw/zinc/92/80/58/589928058.db2.gz SGWCVOSEQTWSKO-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO CC(=NN1CCC1)c1cccc(C[NH+](C)C)c1 ZINC000872398087 589934578 /nfs/dbraw/zinc/93/45/78/589934578.db2.gz CZHNWMXTBXSZNM-UHFFFAOYSA-N 1 0 231.343 2.178 20 30 BEEDRO Cc1cc(N(C)C)ccc1C=[NH+]N1CCC1 ZINC000872398542 589934808 /nfs/dbraw/zinc/93/48/08/589934808.db2.gz VNRQJPNRANCFSU-UHFFFAOYSA-N 1 0 217.316 2.101 20 30 BEEDRO CCC(=[NH+]N1CCC1)c1ccc(N)cc1 ZINC000872398938 589935113 /nfs/dbraw/zinc/93/51/13/589935113.db2.gz NVBCXAAZZBURRA-UHFFFAOYSA-N 1 0 203.289 2.089 20 30 BEEDRO N#CCCCNc1cc[nH+]cc1C1CC1 ZINC000872507803 589945583 /nfs/dbraw/zinc/94/55/83/589945583.db2.gz NIQQTDVIRFHWKN-UHFFFAOYSA-N 1 0 201.273 2.097 20 30 BEEDRO N#C[C@@H]1CC[C@H](Nc2cc[nH+]cc2C2CC2)C1 ZINC000872575338 589953838 /nfs/dbraw/zinc/95/38/38/589953838.db2.gz XZPMUOKPAUYNOL-PWSUYJOCSA-N 1 0 227.311 2.485 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1cnnn1CC ZINC000873151994 589986752 /nfs/dbraw/zinc/98/67/52/589986752.db2.gz VEJSTZMDSBKSHT-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873151970 589987056 /nfs/dbraw/zinc/98/70/56/589987056.db2.gz UBGKBHBFYBMYBF-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2c(C)nn(C)c2C)CC1 ZINC000873198611 589991938 /nfs/dbraw/zinc/99/19/38/589991938.db2.gz RQXJPILEOUPOLQ-HDJSIYSDSA-N 1 0 245.370 2.319 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC000873198665 589993071 /nfs/dbraw/zinc/99/30/71/589993071.db2.gz UVDJHKMRDYEAJI-XYPYZODXSA-N 1 0 220.341 2.425 20 30 BEEDRO CC1(C)CC[C@H](CN[C@@H]2CCC[C@H](C#N)C2)[NH2+]C1 ZINC000873237579 590004149 /nfs/dbraw/zinc/00/41/49/590004149.db2.gz RCWDCVMFZAXEGB-BFHYXJOUSA-N 1 0 249.402 2.437 20 30 BEEDRO CCOC1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000124776644 590084616 /nfs/dbraw/zinc/08/46/16/590084616.db2.gz OQORRAYSQGSSRQ-UHFFFAOYSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCN(C(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC000874352109 590105632 /nfs/dbraw/zinc/10/56/32/590105632.db2.gz RPIHCGDKYLLLAV-UHFFFAOYSA-N 1 0 240.391 2.387 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000124993939 590107345 /nfs/dbraw/zinc/10/73/45/590107345.db2.gz HQNLYYVMRZLZIR-LLVKDONJSA-N 1 0 210.280 2.346 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H](C)C(C)(C)C ZINC000874591058 590118204 /nfs/dbraw/zinc/11/82/04/590118204.db2.gz DVBLTPQPAWIXAT-GFCCVEGCSA-N 1 0 240.391 2.245 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000125787626 590189469 /nfs/dbraw/zinc/18/94/69/590189469.db2.gz VBVDFZFXZJMLTD-UHFFFAOYSA-N 1 0 248.370 2.435 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@H](O)C1 ZINC000876528185 590209275 /nfs/dbraw/zinc/20/92/75/590209275.db2.gz RVWYESYBNQQOJP-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000876545116 590213008 /nfs/dbraw/zinc/21/30/08/590213008.db2.gz ALFDDVVXWGMEQV-AXFHLTTASA-N 1 0 244.766 2.246 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CCC)CC1CC1 ZINC000876550155 590214550 /nfs/dbraw/zinc/21/45/50/590214550.db2.gz QYAAETRKIRWFQL-NSHDSACASA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCC(C)C ZINC000876549441 590214618 /nfs/dbraw/zinc/21/46/18/590214618.db2.gz PKXWOJAIUWYOFN-MNOVXSKESA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CCCC ZINC000876550250 590214699 /nfs/dbraw/zinc/21/46/99/590214699.db2.gz UVAFDERRIXGHOK-SNVBAGLBSA-N 1 0 232.755 2.105 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@H]1C(=O)OC ZINC000876562425 590216551 /nfs/dbraw/zinc/21/65/51/590216551.db2.gz QFYYSTGJHFMXPG-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(CC)CC ZINC000876576641 590217769 /nfs/dbraw/zinc/21/77/69/590217769.db2.gz ORUQZHUVGBATNL-SNVBAGLBSA-N 1 0 232.755 2.009 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C ZINC000876599513 590220344 /nfs/dbraw/zinc/22/03/44/590220344.db2.gz DAUGNKVTFHVLQJ-ZJUUUORDSA-N 1 0 246.782 2.349 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CCCC)C1CC1 ZINC000876602168 590220991 /nfs/dbraw/zinc/22/09/91/590220991.db2.gz YHNMHNGYBLNABZ-LLVKDONJSA-N 1 0 244.766 2.247 20 30 BEEDRO [NH2+]=C(NCCC(F)(F)F)N1CCCCCC1 ZINC000126061585 590221926 /nfs/dbraw/zinc/22/19/26/590221926.db2.gz WXUCIHFLGSLSQP-UHFFFAOYSA-N 1 0 237.269 2.130 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C)cc1O ZINC000876639889 590225272 /nfs/dbraw/zinc/22/52/72/590225272.db2.gz VPKJCJYQHQZGTB-UHFFFAOYSA-N 1 0 203.285 2.156 20 30 BEEDRO CC[C@H](C)[C@H](C[NH+]1CCC(C#N)CC1)OC ZINC000876652701 590226108 /nfs/dbraw/zinc/22/61/08/590226108.db2.gz HTLQBXFHUPCWRC-AAEUAGOBSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(CC)CC ZINC000876662333 590227076 /nfs/dbraw/zinc/22/70/76/590227076.db2.gz WKSPRKGBLJLCHV-SECBINFHSA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(CC)CC ZINC000876662334 590227377 /nfs/dbraw/zinc/22/73/77/590227377.db2.gz WKSPRKGBLJLCHV-VIFPVBQESA-N 1 0 232.755 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C)CC[C@@H]1C ZINC000876669991 590228749 /nfs/dbraw/zinc/22/87/49/590228749.db2.gz CWNLXHXFPKLNTM-MIMYLULJSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC(C)(C)C ZINC000876676885 590229731 /nfs/dbraw/zinc/22/97/31/590229731.db2.gz ZVIPJACCYKNTKI-SNVBAGLBSA-N 1 0 246.782 2.399 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(C(C)C)CC1 ZINC000876678895 590229743 /nfs/dbraw/zinc/22/97/43/590229743.db2.gz SEYKZESVQJYAKY-JTQLQIEISA-N 1 0 244.766 2.009 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)C[C@@H](C)CC ZINC000876698152 590231780 /nfs/dbraw/zinc/23/17/80/590231780.db2.gz MPEWIPCGRKORRX-ONGXEEELSA-N 1 0 246.782 2.351 20 30 BEEDRO C#CC[NH+](CC#C)CCC(C)(C)SC ZINC000876744920 590236508 /nfs/dbraw/zinc/23/65/08/590236508.db2.gz HFTBJZUIXCAZSJ-UHFFFAOYSA-N 1 0 209.358 2.087 20 30 BEEDRO C#CC[N@@H+](CC#CC)Cc1c(C)cccc1O ZINC000876748622 590237061 /nfs/dbraw/zinc/23/70/61/590237061.db2.gz BXMGCPLNOLXRDG-UHFFFAOYSA-N 1 0 227.307 2.159 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CCSCC2)cc1 ZINC000126208614 590252803 /nfs/dbraw/zinc/25/28/03/590252803.db2.gz IOYCMLINWQSHMO-UHFFFAOYSA-N 1 0 247.363 2.247 20 30 BEEDRO C#CCCCCCC[NH2+]C1CCOCC1 ZINC000876949954 590260041 /nfs/dbraw/zinc/26/00/41/590260041.db2.gz ZIWFDKCZIJYLLE-UHFFFAOYSA-N 1 0 209.333 2.339 20 30 BEEDRO C[C@H](C[NH2+]C[C@@H](C)CCC#N)N1CCCCC1 ZINC000876956597 590260968 /nfs/dbraw/zinc/26/09/68/590260968.db2.gz LPFYTJXRSHTTBZ-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC000876960647 590261620 /nfs/dbraw/zinc/26/16/20/590261620.db2.gz JBWLLUCTMWSKQQ-WPRPVWTQSA-N 1 0 232.755 2.009 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H]([NH3+])CC(=C)Cl ZINC000876978102 590263078 /nfs/dbraw/zinc/26/30/78/590263078.db2.gz GFRLSKPKWNRKLS-SNVBAGLBSA-N 1 0 244.766 2.317 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876979117 590264335 /nfs/dbraw/zinc/26/43/35/590264335.db2.gz UGEQSELLYVGLKW-WDEREUQCSA-N 1 0 238.375 2.221 20 30 BEEDRO CCCCCCCNC(=O)C=C1CC[NH2+]CC1 ZINC000876988641 590265597 /nfs/dbraw/zinc/26/55/97/590265597.db2.gz HYBZNAMTPKRZBP-UHFFFAOYSA-N 1 0 238.375 2.383 20 30 BEEDRO C#CCCCCCC[NH2+]CCN(C)C(C)C ZINC000876995862 590266658 /nfs/dbraw/zinc/26/66/58/590266658.db2.gz KYWUAEPIGMTLSL-UHFFFAOYSA-N 1 0 224.392 2.500 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)c1nncn1C ZINC000877016455 590269200 /nfs/dbraw/zinc/26/92/00/590269200.db2.gz GNXAXLZHEOFHTD-GFCCVEGCSA-N 1 0 234.347 2.049 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(Cl)nn1 ZINC000877021012 590269711 /nfs/dbraw/zinc/26/97/11/590269711.db2.gz LBPRIASACUCXMP-UHFFFAOYSA-N 1 0 243.763 2.139 20 30 BEEDRO CCc1cc(C[NH2+]C[C@@H](C)CCC#N)[nH]n1 ZINC000877033725 590272000 /nfs/dbraw/zinc/27/20/00/590272000.db2.gz KYQWVHNNUOZUJL-JTQLQIEISA-N 1 0 220.320 2.002 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CCO)C1CC1 ZINC000877058619 590276062 /nfs/dbraw/zinc/27/60/62/590276062.db2.gz JYJBNHUKVJXWJM-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000877070025 590277123 /nfs/dbraw/zinc/27/71/23/590277123.db2.gz JPRHQYFXOAAEFC-CYBMUJFWSA-N 1 0 234.343 2.088 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc(F)c1N ZINC000877087410 590280447 /nfs/dbraw/zinc/28/04/47/590280447.db2.gz LEPNOXRSOIHTTN-UHFFFAOYSA-N 1 0 220.291 2.301 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)CCCO ZINC000877109880 590286947 /nfs/dbraw/zinc/28/69/47/590286947.db2.gz STDGEGTWXRWJPC-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCCCCCC[NH2+][C@@]1(C)CCOC1 ZINC000877120035 590289105 /nfs/dbraw/zinc/28/91/05/590289105.db2.gz FKPQNRXLHWMOHU-ZDUSSCGKSA-N 1 0 209.333 2.339 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877125082 590289342 /nfs/dbraw/zinc/28/93/42/590289342.db2.gz XDSNOFVWDMKGQN-SECBINFHSA-N 1 0 238.158 2.363 20 30 BEEDRO C#CCCCCCC[NH2+]C(C)(C)[C@H](C)O ZINC000877126817 590289869 /nfs/dbraw/zinc/28/98/69/590289869.db2.gz TYQDZTRJSKKYNJ-LBPRGKRZSA-N 1 0 211.349 2.319 20 30 BEEDRO CCCCCCCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877166024 590295129 /nfs/dbraw/zinc/29/51/29/590295129.db2.gz OHMQDCQZICMXCO-STQMWFEESA-N 1 0 238.375 2.310 20 30 BEEDRO C=CCCCC(=O)NC1(C[NH3+])CCCCC1 ZINC000877205504 590301152 /nfs/dbraw/zinc/30/11/52/590301152.db2.gz KLCNOISVJBCABY-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC(C)(C)[NH3+] ZINC000877304319 590310683 /nfs/dbraw/zinc/31/06/83/590310683.db2.gz YASYACUGDMSJIA-UHFFFAOYSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000877303419 590310691 /nfs/dbraw/zinc/31/06/91/590310691.db2.gz GJBGBSFHOTTYIH-LLVKDONJSA-N 1 0 240.391 2.468 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(CO)CCC1 ZINC000877315706 590313331 /nfs/dbraw/zinc/31/33/31/590313331.db2.gz QYDWDPXEJICZOV-UHFFFAOYSA-N 1 0 223.360 2.322 20 30 BEEDRO CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000877322105 590316551 /nfs/dbraw/zinc/31/65/51/590316551.db2.gz ZFYZDORAUKBFNB-USBNGQNGSA-N 1 0 246.291 2.459 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C1CC(O)C1 ZINC000877344541 590318878 /nfs/dbraw/zinc/31/88/78/590318878.db2.gz IJCUAWHZAZDMNO-UHFFFAOYSA-N 1 0 209.333 2.025 20 30 BEEDRO CN(CCCCCC[NH3+])C(=O)C#CC(C)(C)C ZINC000877436926 590321409 /nfs/dbraw/zinc/32/14/09/590321409.db2.gz PASOCQCFZSVNRN-UHFFFAOYSA-N 1 0 238.375 2.013 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)(C)SC)[C@@H]1CCCO1 ZINC000877413820 590324619 /nfs/dbraw/zinc/32/46/19/590324619.db2.gz RVEHFIIPQVVKQV-RYUDHWBXSA-N 1 0 241.400 2.289 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2nccnc2c1 ZINC000877479373 590336747 /nfs/dbraw/zinc/33/67/47/590336747.db2.gz BWNIKJYNTBMSNJ-LLVKDONJSA-N 1 0 225.295 2.083 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000877480408 590337176 /nfs/dbraw/zinc/33/71/76/590337176.db2.gz UWHSMAMQGDPBCN-LSDHHAIUSA-N 1 0 242.366 2.466 20 30 BEEDRO COc1ccc(C[NH2+]C[C@@H](C)CCC#N)c(O)c1 ZINC000877494685 590340606 /nfs/dbraw/zinc/34/06/06/590340606.db2.gz YZYIBHWOLMLPCU-NSHDSACASA-N 1 0 248.326 2.430 20 30 BEEDRO C#CCCCCCC[NH2+]CC1([S@](C)=O)CC1 ZINC000877499821 590341472 /nfs/dbraw/zinc/34/14/72/590341472.db2.gz UNYHCVZIMGKRJV-INIZCTEOSA-N 1 0 241.400 2.071 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC1(C#N)CCOCC1)C(C)C ZINC000877513405 590343535 /nfs/dbraw/zinc/34/35/35/590343535.db2.gz VAYLHNTWLCDMLJ-KGLIPLIRSA-N 1 0 248.370 2.333 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)c1cnc(C)nc1C)C(C)C ZINC000877513126 590343624 /nfs/dbraw/zinc/34/36/24/590343624.db2.gz LNMAAWLAXHETER-SMDDNHRTSA-N 1 0 231.343 2.402 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000877512793 590343635 /nfs/dbraw/zinc/34/36/35/590343635.db2.gz BTOBJAJTMQOVKP-DGCLKSJQSA-N 1 0 232.327 2.023 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1nc2ccccc2nc1C ZINC000877512971 590343858 /nfs/dbraw/zinc/34/38/58/590343858.db2.gz HKEWAQNXKWGLCX-GFCCVEGCSA-N 1 0 239.322 2.440 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(F)c1N)C(C)C ZINC000877513408 590343961 /nfs/dbraw/zinc/34/39/61/590343961.db2.gz VGRNWENPCXTDFG-GFCCVEGCSA-N 1 0 220.291 2.155 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C(C)C ZINC000877513427 590344815 /nfs/dbraw/zinc/34/48/15/590344815.db2.gz VTZUMRRGTKLDOK-OLZOCXBDSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@H](OC)c1ccccc1 ZINC000877514436 590344978 /nfs/dbraw/zinc/34/49/78/590344978.db2.gz OBIRPFCNRBABIZ-OBJOEFQTSA-N 1 0 217.312 2.374 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)CCc1cccnc1 ZINC000877513414 590345151 /nfs/dbraw/zinc/34/51/51/590345151.db2.gz VKWUPUKMVAKGCL-OCCSQVGLSA-N 1 0 216.328 2.404 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877524586 590345876 /nfs/dbraw/zinc/34/58/76/590345876.db2.gz YTUPQEOPYPEDMB-LDYMZIIASA-N 1 0 235.718 2.495 20 30 BEEDRO C#C[C@H](C)[NH2+]CC(C)(C)Oc1ccccc1 ZINC000877514830 590345992 /nfs/dbraw/zinc/34/59/92/590345992.db2.gz VKYKZTXDXDRTHA-LBPRGKRZSA-N 1 0 217.312 2.455 20 30 BEEDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877524584 590346474 /nfs/dbraw/zinc/34/64/74/590346474.db2.gz YTUPQEOPYPEDMB-KCJUWKMLSA-N 1 0 235.718 2.495 20 30 BEEDRO C[C@H]1CC[C@H]1[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877524583 590347171 /nfs/dbraw/zinc/34/71/71/590347171.db2.gz YTUPQEOPYPEDMB-GZMMTYOYSA-N 1 0 235.718 2.495 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C(C)(C)C ZINC000877534998 590349802 /nfs/dbraw/zinc/34/98/02/590349802.db2.gz RPAAFUJLMULCIY-TZMCWYRMSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+]CCC[C@H]1CCO1)C(C)(C)C ZINC000877534322 590350050 /nfs/dbraw/zinc/35/00/50/590350050.db2.gz FQYSNRHILIWVJC-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+]CCC[C@@H]1CCO1)C(C)(C)C ZINC000877534320 590350078 /nfs/dbraw/zinc/35/00/78/590350078.db2.gz FQYSNRHILIWVJC-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)[C@H](C)CO ZINC000877543349 590352159 /nfs/dbraw/zinc/35/21/59/590352159.db2.gz FFYBUMXRMJZUQV-CYBMUJFWSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000877545396 590353336 /nfs/dbraw/zinc/35/33/36/590353336.db2.gz ALJYGDDYBWZPBQ-LSDHHAIUSA-N 1 0 234.387 2.206 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H](CC)CO ZINC000877556927 590357393 /nfs/dbraw/zinc/35/73/93/590357393.db2.gz ZNACKCDPHVWHQH-ZDUSSCGKSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[N@H+](C1CC1)C1COC1 ZINC000877558152 590358831 /nfs/dbraw/zinc/35/88/31/590358831.db2.gz YBGVWDWMJDZXDT-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000877563732 590360790 /nfs/dbraw/zinc/36/07/90/590360790.db2.gz OSXIGIRVXIAFEU-CYBMUJFWSA-N 1 0 245.313 2.272 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877567044 590361662 /nfs/dbraw/zinc/36/16/62/590361662.db2.gz UAFQLKQQNLEWSU-OCCSQVGLSA-N 1 0 233.311 2.134 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CC2(Cl)Cl)CCC1 ZINC000877593497 590368718 /nfs/dbraw/zinc/36/87/18/590368718.db2.gz BCVIQSHZFANQIA-QMMMGPOBSA-N 1 0 233.142 2.464 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](OC)[C@@H](C)CC)C1 ZINC000877616742 590375296 /nfs/dbraw/zinc/37/52/96/590375296.db2.gz HAUUMVUBEKIZMD-BFHYXJOUSA-N 1 0 223.360 2.393 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000877624318 590376689 /nfs/dbraw/zinc/37/66/89/590376689.db2.gz NCZIQVXXSAMSND-LLVKDONJSA-N 1 0 233.702 2.415 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCC12CCC2)C1CCOCC1 ZINC000877636196 590380459 /nfs/dbraw/zinc/38/04/59/590380459.db2.gz PRDVPOQRWFJWOP-KGLIPLIRSA-N 1 0 233.355 2.337 20 30 BEEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CSC2)cc1 ZINC000877635217 590380811 /nfs/dbraw/zinc/38/08/11/590380811.db2.gz JIUZPXKOUZGIRX-SNVBAGLBSA-N 1 0 248.351 2.182 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C1(CO)CC1 ZINC000877641974 590382995 /nfs/dbraw/zinc/38/29/95/590382995.db2.gz NMWYOJWKQWYLCJ-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1C[C@H](C(=O)OC)C1 ZINC000877641098 590383384 /nfs/dbraw/zinc/38/33/84/590383384.db2.gz LXKTZCGXEMOSRD-JOCQHMNTSA-N 1 0 237.343 2.111 20 30 BEEDRO C/C=C/C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877657878 590386160 /nfs/dbraw/zinc/38/61/60/590386160.db2.gz PFCAVUKZTBXFSK-NSCUHMNNSA-N 1 0 221.691 2.272 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]CC1CCSCC1 ZINC000877659916 590387105 /nfs/dbraw/zinc/38/71/05/590387105.db2.gz AHIHFZUHCJNICB-ZDUSSCGKSA-N 1 0 241.400 2.148 20 30 BEEDRO 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591051913 /nfs/dbraw/zinc/05/19/13/591051913.db2.gz KSRUEVHFUPTWAB-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO CCC#C[C@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473976 591054217 /nfs/dbraw/zinc/05/42/17/591054217.db2.gz RTCAGLZEXLPYHW-AWEZNQCLSA-N 1 0 234.387 2.349 20 30 BEEDRO C[C@H](CCC#N)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473590 591054224 /nfs/dbraw/zinc/05/42/24/591054224.db2.gz JRQDYFUHANVAKT-CYBMUJFWSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CCC1(O)CC[NH+](CC(CC)CC)CC1 ZINC000880482278 591055074 /nfs/dbraw/zinc/05/50/74/591055074.db2.gz DEFHIAPAALBGNU-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCC2CC2)CC1 ZINC000880482389 591055185 /nfs/dbraw/zinc/05/51/85/591055185.db2.gz HMBANHHQQJKFOG-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@]23CCCO3)CC1 ZINC000880500095 591075512 /nfs/dbraw/zinc/07/55/12/591075512.db2.gz XBZQPWVJUAQQAY-OCCSQVGLSA-N 1 0 234.343 2.372 20 30 BEEDRO COc1ccc(C#N)cc1CO[NH+]=C(N)C(C)C ZINC000128622268 591141396 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591566119 /nfs/dbraw/zinc/56/61/19/591566119.db2.gz NNDJZPKOSLMZII-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@](C)(O)CC)[C@@H]1CCCO1 ZINC000883187409 591567082 /nfs/dbraw/zinc/56/70/82/591567082.db2.gz NNDJZPKOSLMZII-IHRRRGAJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](CC)CCO)[C@H]1CCCO1 ZINC000883192343 591567954 /nfs/dbraw/zinc/56/79/54/591567954.db2.gz XFCCPCBNAXRVEB-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCO1 ZINC000883208779 591574682 /nfs/dbraw/zinc/57/46/82/591574682.db2.gz NYZSTGXNBGKYBP-KGLIPLIRSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)OC)[C@H]1CCCO1 ZINC000883218113 591576055 /nfs/dbraw/zinc/57/60/55/591576055.db2.gz UPDOQFSWFUZNAN-RWMBFGLXSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)OC)[C@@H]1CCCO1 ZINC000883218111 591576273 /nfs/dbraw/zinc/57/62/73/591576273.db2.gz UPDOQFSWFUZNAN-AVGNSLFASA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCCCO)[C@@H]1CCCO1 ZINC000883219116 591576707 /nfs/dbraw/zinc/57/67/07/591576707.db2.gz MNGRLWJNIDCZAO-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCCO1 ZINC000883223657 591577680 /nfs/dbraw/zinc/57/76/80/591577680.db2.gz UNAGROGHCYVZTA-MJBXVCDLSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@H]1CCCO1 ZINC000883229438 591580466 /nfs/dbraw/zinc/58/04/66/591580466.db2.gz JOURWXSFJQUIBO-SYQHCUMBSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)OC)[C@H]1CCCO1 ZINC000883235089 591582134 /nfs/dbraw/zinc/58/21/34/591582134.db2.gz UPDOQFSWFUZNAN-JHJVBQTASA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)[C@@H]1CCCO1 ZINC000883239941 591585044 /nfs/dbraw/zinc/58/50/44/591585044.db2.gz AMNVZTKICSFGJH-SYQHCUMBSA-N 1 0 239.359 2.267 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccc(OCC#N)cc1 ZINC000131307734 591588689 /nfs/dbraw/zinc/58/86/89/591588689.db2.gz PUQYTQFYGZRZQL-DGCLKSJQSA-N 1 0 246.310 2.028 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000883320033 591615266 /nfs/dbraw/zinc/61/52/66/591615266.db2.gz YGBKUAYBCVAGQB-ZDEQEGDKSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CCCC)COC ZINC000883390979 591643111 /nfs/dbraw/zinc/64/31/11/591643111.db2.gz YYVWIOUHSXMZEL-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN1CC)C1CC1 ZINC000883355388 591626711 /nfs/dbraw/zinc/62/67/11/591626711.db2.gz PRUWVEKQQGPWBW-UONOGXRCSA-N 1 0 222.376 2.415 20 30 BEEDRO C#CC1(NCc2nccs2)CCCC1 ZINC000883362933 591630476 /nfs/dbraw/zinc/63/04/76/591630476.db2.gz QWWGUPJSXJMSJP-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO C#CC1([NH2+]Cc2nc(C)ccc2O)CCCC1 ZINC000883362982 591632478 /nfs/dbraw/zinc/63/24/78/591632478.db2.gz SKUKQLKWLJZWAH-UHFFFAOYSA-N 1 0 230.311 2.131 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000883389812 591636285 /nfs/dbraw/zinc/63/62/85/591636285.db2.gz YZMFLHVUGWRGIZ-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000883390993 591636705 /nfs/dbraw/zinc/63/67/05/591636705.db2.gz ZADDGYGLODDNLJ-MGPQQGTHSA-N 1 0 241.375 2.107 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883381691 591638394 /nfs/dbraw/zinc/63/83/94/591638394.db2.gz RFQPWDDFVNECMA-WCQYABFASA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000883392751 591638893 /nfs/dbraw/zinc/63/88/93/591638893.db2.gz OADSCKNOOXXVGL-GRYCIOLGSA-N 1 0 229.389 2.187 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccncc1Cl ZINC000883399500 591640496 /nfs/dbraw/zinc/64/04/96/591640496.db2.gz OVHGAODRIAPGQM-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000883389754 591641315 /nfs/dbraw/zinc/64/13/15/591641315.db2.gz XHPLXRRHVICWOG-JKSUJKDBSA-N 1 0 245.366 2.461 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000883389555 591641505 /nfs/dbraw/zinc/64/15/05/591641505.db2.gz TXFOVZIQLOVDTK-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000883391055 591642425 /nfs/dbraw/zinc/64/24/25/591642425.db2.gz ASZDWVPVLZZWKO-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000883391129 591642572 /nfs/dbraw/zinc/64/25/72/591642572.db2.gz CUVNRFCEXOIHOO-HZSPNIEDSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CCC1CC1 ZINC000883391134 591643076 /nfs/dbraw/zinc/64/30/76/591643076.db2.gz CUXMQAHEAKQOLE-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000883392120 591643903 /nfs/dbraw/zinc/64/39/03/591643903.db2.gz APCHBBHOEXMFQV-STQMWFEESA-N 1 0 247.338 2.296 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CCc1cccnc1 ZINC000883392973 591645110 /nfs/dbraw/zinc/64/51/10/591645110.db2.gz SKASVPGMEFQSFG-DZGCQCFKSA-N 1 0 248.370 2.319 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000883393168 591645131 /nfs/dbraw/zinc/64/51/31/591645131.db2.gz WYFYTSVALJRVTH-PYJNHQTQSA-N 1 0 223.360 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000883392797 591645142 /nfs/dbraw/zinc/64/51/42/591645142.db2.gz OUHSHXBMVFEEKW-QNWHQSFQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000883400021 591646446 /nfs/dbraw/zinc/64/64/46/591646446.db2.gz BONBSRYTEHHLAR-OAHLLOKOSA-N 1 0 244.338 2.283 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cnc(CC)s1 ZINC000883400117 591647183 /nfs/dbraw/zinc/64/71/83/591647183.db2.gz DZNZDAWVFLPLBS-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000883400284 591647283 /nfs/dbraw/zinc/64/72/83/591647283.db2.gz ISCTVUQVTQZDKU-ZDUSSCGKSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000883400286 591647861 /nfs/dbraw/zinc/64/78/61/591647861.db2.gz ISNZNGNQMXTUFX-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000883400812 591647910 /nfs/dbraw/zinc/64/79/10/591647910.db2.gz VWDQFVPRWIDYHX-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000883401150 591648579 /nfs/dbraw/zinc/64/85/79/591648579.db2.gz DNMXAYPDTVSSEE-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(Cl)o1 ZINC000883401684 591648762 /nfs/dbraw/zinc/64/87/62/591648762.db2.gz UTVZMRWQZIUSHR-SECBINFHSA-N 1 0 229.707 2.350 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000883401330 591649036 /nfs/dbraw/zinc/64/90/36/591649036.db2.gz KFWRCHIAVFCZFD-AWEZNQCLSA-N 1 0 248.370 2.169 20 30 BEEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)O)cc1 ZINC000132357996 591703194 /nfs/dbraw/zinc/70/31/94/591703194.db2.gz SRGHCLKKZZGOJX-MNOVXSKESA-N 1 0 249.358 2.308 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@@H](OCCCC)C1(C)C ZINC000132682441 591731087 /nfs/dbraw/zinc/73/10/87/591731087.db2.gz IBLHPRLRKXZZNK-VXGBXAGGSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000884024970 591806250 /nfs/dbraw/zinc/80/62/50/591806250.db2.gz JENGAYAIHFSPFK-NSHDSACASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000884035321 591817638 /nfs/dbraw/zinc/81/76/38/591817638.db2.gz XEFGSVSGSYVTPH-NEPJUHHUSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000884035322 591817913 /nfs/dbraw/zinc/81/79/13/591817913.db2.gz XEFGSVSGSYVTPH-NWDGAFQWSA-N 1 0 238.375 2.175 20 30 BEEDRO CC[NH+](CC)CCCOC(=O)CC(C)(C)C#N ZINC000800216876 591841060 /nfs/dbraw/zinc/84/10/60/591841060.db2.gz FUZZNOGRULBWJT-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO CC(C)C(N)=[NH+]OCCOc1ccccc1 ZINC000133686388 591848831 /nfs/dbraw/zinc/84/88/31/591848831.db2.gz UIJQAQZHGDUJIB-UHFFFAOYSA-N 1 0 222.288 2.010 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000884336006 591904808 /nfs/dbraw/zinc/90/48/08/591904808.db2.gz GNQHHNSMWWFTGL-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000884339985 591906444 /nfs/dbraw/zinc/90/64/44/591906444.db2.gz BLNWFYHXKJAKRK-NWDGAFQWSA-N 1 0 238.375 2.032 20 30 BEEDRO CC(=[NH+]NC1CC1)c1c(C)cc(N)cc1C ZINC000884449377 591937702 /nfs/dbraw/zinc/93/77/02/591937702.db2.gz CYAFNQJDPHDAMH-UHFFFAOYSA-N 1 0 217.316 2.362 20 30 BEEDRO C=CC[C@H](C)OC(=O)C(C)(C)[NH+]1CCCC1 ZINC000884507342 591960294 /nfs/dbraw/zinc/96/02/94/591960294.db2.gz AONVCMZFVNHLHI-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C#CC[C@@H]1CCN(c2cc[nH+]cc2C)C1 ZINC000884594252 591991019 /nfs/dbraw/zinc/99/10/19/591991019.db2.gz DBWWWFIFGZWUGZ-GFCCVEGCSA-N 1 0 200.285 2.240 20 30 BEEDRO C[C@H](CNCc1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000135159377 591992807 /nfs/dbraw/zinc/99/28/07/591992807.db2.gz MEGMTSQOUYHUNG-GFCCVEGCSA-N 1 0 247.342 2.115 20 30 BEEDRO C=CC(C)(C)CC(=O)OCC[NH+](CC)CC ZINC000884649956 592001918 /nfs/dbraw/zinc/00/19/18/592001918.db2.gz UPXVUEAOWMZXLP-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](O)CC1(C#N)CCC1 ZINC000885967470 592118267 /nfs/dbraw/zinc/11/82/67/592118267.db2.gz PSUDWFXWOLZEQA-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H]2C2CC2)CCC1 ZINC000885985959 592121759 /nfs/dbraw/zinc/12/17/59/592121759.db2.gz VOMNHMRLOQQNMC-KBPBESRZSA-N 1 0 248.370 2.306 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886003431 592127288 /nfs/dbraw/zinc/12/72/88/592127288.db2.gz CKBXUKBSODDVOQ-QWHCGFSZSA-N 1 0 207.317 2.065 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)C[C@@H]21 ZINC000886020637 592134163 /nfs/dbraw/zinc/13/41/63/592134163.db2.gz DXMRSQZFFQJTEG-UPJWGTAASA-N 1 0 248.370 2.019 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CCC2)[C@H]1C ZINC000886032417 592136742 /nfs/dbraw/zinc/13/67/42/592136742.db2.gz GHALEFJTXUCQHT-FRRDWIJNSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[N@H+](C[C@@H]1C[C@]12CCOC2)C1CC1 ZINC000886104932 592155082 /nfs/dbraw/zinc/15/50/82/592155082.db2.gz OKRYEJXEWAXLQA-AAEUAGOBSA-N 1 0 207.317 2.063 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886123383 592157873 /nfs/dbraw/zinc/15/78/73/592157873.db2.gz XUSBQFUOYPFYHT-ZIAGYGMSSA-N 1 0 234.343 2.039 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886123382 592158108 /nfs/dbraw/zinc/15/81/08/592158108.db2.gz XUSBQFUOYPFYHT-UONOGXRCSA-N 1 0 234.343 2.039 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886118860 592158355 /nfs/dbraw/zinc/15/83/55/592158355.db2.gz RHHRFLSCHNZLAS-JSGCOSHPSA-N 1 0 234.343 2.039 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000886144853 592162303 /nfs/dbraw/zinc/16/23/03/592162303.db2.gz IUEORMOBINHHPM-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C#C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@H]1CCCO1 ZINC000886142721 592162938 /nfs/dbraw/zinc/16/29/38/592162938.db2.gz JHLZYSWCZRTYRS-LXTVHRRPSA-N 1 0 233.355 2.193 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886153520 592164341 /nfs/dbraw/zinc/16/43/41/592164341.db2.gz JAPPDUKCKBPQQQ-PKYBCLHXSA-N 1 0 247.313 2.203 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CC[C@H](C2CC2)O1 ZINC000886172968 592169289 /nfs/dbraw/zinc/16/92/89/592169289.db2.gz BFYMHBFYZSOVKI-QWHCGFSZSA-N 1 0 221.344 2.288 20 30 BEEDRO CC1=C(C)C[N@H+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000886184124 592171819 /nfs/dbraw/zinc/17/18/19/592171819.db2.gz UWSAFISFHGDXBL-AWEZNQCLSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)co1 ZINC000886190258 592173690 /nfs/dbraw/zinc/17/36/90/592173690.db2.gz IRANLJDYAHWKKC-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CC(C)C)C1 ZINC000886211567 592177235 /nfs/dbraw/zinc/17/72/35/592177235.db2.gz SFRYKUMNYZGOKX-KGLIPLIRSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC000886212623 592177279 /nfs/dbraw/zinc/17/72/79/592177279.db2.gz BFKVZLWDFXWFPK-OAHLLOKOSA-N 1 0 246.329 2.013 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2sccc2C)C1 ZINC000886213483 592178259 /nfs/dbraw/zinc/17/82/59/592178259.db2.gz UNVJNHSZGZGPLZ-CYBMUJFWSA-N 1 0 248.395 2.244 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CCC1)C(C)(C)C ZINC000886269242 592192017 /nfs/dbraw/zinc/19/20/17/592192017.db2.gz PCGKRHHGSGVKPD-VXGBXAGGSA-N 1 0 238.375 2.455 20 30 BEEDRO CSc1ccc(C[NH2+][C@H]2CCOC2)cc1C#N ZINC000886277113 592196435 /nfs/dbraw/zinc/19/64/35/592196435.db2.gz HMLWOFZVFQMFBD-LBPRGKRZSA-N 1 0 248.351 2.159 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886297718 592202905 /nfs/dbraw/zinc/20/29/05/592202905.db2.gz YPZIWFIHGPSLST-HZSPNIEDSA-N 1 0 221.344 2.311 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C)cc2)C1 ZINC000886357688 592216157 /nfs/dbraw/zinc/21/61/57/592216157.db2.gz KILRZIGBNQTKAD-ZBFHGGJFSA-N 1 0 243.350 2.374 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCOCCC(C)C)C1 ZINC000886356024 592216254 /nfs/dbraw/zinc/21/62/54/592216254.db2.gz SBPDDJDXSKEFQJ-AWEZNQCLSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)OCCCC)C1 ZINC000886357064 592216273 /nfs/dbraw/zinc/21/62/73/592216273.db2.gz ALBSOFIZAANDJT-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCCCCOC)C1 ZINC000886358076 592216753 /nfs/dbraw/zinc/21/67/53/592216753.db2.gz PCTKNTIHCAGHNI-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000886358522 592216948 /nfs/dbraw/zinc/21/69/48/592216948.db2.gz WGBLALOWXJECDT-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](CCC)C(=O)OCC)C1 ZINC000886358523 592217033 /nfs/dbraw/zinc/21/70/33/592217033.db2.gz WGBLALOWXJECDT-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000886358434 592217100 /nfs/dbraw/zinc/21/71/00/592217100.db2.gz UUUMMBDWCPYGCV-VIFPVBQESA-N 1 0 205.223 2.284 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)CCC(C)C)C1 ZINC000886363896 592218750 /nfs/dbraw/zinc/21/87/50/592218750.db2.gz HPMZIHOJUQJBPS-KBPBESRZSA-N 1 0 223.360 2.129 20 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C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCc2cccnc21 ZINC000886620930 592277158 /nfs/dbraw/zinc/27/71/58/592277158.db2.gz WLUNNUDVRKINSE-RDBSUJKOSA-N 1 0 244.338 2.392 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886632811 592282446 /nfs/dbraw/zinc/28/24/46/592282446.db2.gz GDAZSDGSMDBMLR-CHWSQXEVSA-N 1 0 209.333 2.190 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cccs2)C1 ZINC000886659145 592292821 /nfs/dbraw/zinc/29/28/21/592292821.db2.gz DMJCWVQKORGWRQ-CHWSQXEVSA-N 1 0 248.395 2.496 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000886659940 592293000 /nfs/dbraw/zinc/29/30/00/592293000.db2.gz YZDNSJHKAJJHJU-GOEBONIOSA-N 1 0 242.366 2.435 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)CCC)C1 ZINC000886660795 592293114 /nfs/dbraw/zinc/29/31/14/592293114.db2.gz GGGCWUOQXSOXDM-KGLIPLIRSA-N 1 0 222.376 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)C(C)C)C1 ZINC000886659805 592293275 /nfs/dbraw/zinc/29/32/75/592293275.db2.gz VXUUZQGTQBPTOF-UONOGXRCSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000886663050 592294701 /nfs/dbraw/zinc/29/47/01/592294701.db2.gz RWTOTSFDTYTOHH-HUUCEWRRSA-N 1 0 246.398 2.396 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1 ZINC000886663048 592294749 /nfs/dbraw/zinc/29/47/49/592294749.db2.gz RWTOTSFDTYTOHH-CABCVRRESA-N 1 0 246.398 2.396 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)[C@H]2C[C@@H]2C)C1 ZINC000886662772 592294892 /nfs/dbraw/zinc/29/48/92/592294892.db2.gz LWHIRWCZAHTSJA-ZQDZILKHSA-N 1 0 234.387 2.108 20 30 BEEDRO C=CC[NH+]1CCC(c2nc(C)c(C)[nH]2)CC1 ZINC000886665771 592295891 /nfs/dbraw/zinc/29/58/91/592295891.db2.gz GJPPUCDFVHSISF-UHFFFAOYSA-N 1 0 219.332 2.392 20 30 BEEDRO CC1(C)CO[C@H](CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000886717838 592310048 /nfs/dbraw/zinc/31/00/48/592310048.db2.gz KDNMJVAJKQOKRY-FRRDWIJNSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886720307 592310052 /nfs/dbraw/zinc/31/00/52/592310052.db2.gz ZLNSERUSVCDSIZ-UHFFFAOYSA-N 1 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FVZBZRSVUVKOGD-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886818471 592340822 /nfs/dbraw/zinc/34/08/22/592340822.db2.gz FVZBZRSVUVKOGD-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886822706 592347750 /nfs/dbraw/zinc/34/77/50/592347750.db2.gz UFPVVHTTXSCGDT-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO N#CCCOCC[NH2+][C@H]1CCc2c1cccc2F ZINC000886924022 592397875 /nfs/dbraw/zinc/39/78/75/592397875.db2.gz DUFRWIDFHITQKX-AWEZNQCLSA-N 1 0 248.301 2.333 20 30 BEEDRO C=CCC[NH2+]CC1(C2(O)CCC2)CCC1 ZINC000886976799 592402912 /nfs/dbraw/zinc/40/29/12/592402912.db2.gz NOWDOLURAYNVSL-UHFFFAOYSA-N 1 0 209.333 2.237 20 30 BEEDRO C#CCC1([NH2+]CCCCCF)CCOCC1 ZINC000887122053 592444382 /nfs/dbraw/zinc/44/43/82/592444382.db2.gz JAXUMXFYOSQADL-UHFFFAOYSA-N 1 0 227.323 2.288 20 30 BEEDRO C=CCCCCCNC(=[NH2+])NCC1CC1 ZINC000887363482 592492099 /nfs/dbraw/zinc/49/20/99/592492099.db2.gz ZHINDLMYLPYRRG-UHFFFAOYSA-N 1 0 209.337 2.257 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CC[C@H](C)O1 ZINC000300071298 592502180 /nfs/dbraw/zinc/50/21/80/592502180.db2.gz WXAZHEOYMGUDRG-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC000301009548 592527108 /nfs/dbraw/zinc/52/71/08/592527108.db2.gz YMVSQOGEKAFROM-AGIUHOORSA-N 1 0 209.333 2.191 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000302395858 592547759 /nfs/dbraw/zinc/54/77/59/592547759.db2.gz NSMOWCRJBMBXPM-NEPJUHHUSA-N 1 0 243.310 2.138 20 30 BEEDRO CCCCCCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC000106207200 592703750 /nfs/dbraw/zinc/70/37/50/592703750.db2.gz WWXMCJYLDOPSLQ-GFCCVEGCSA-N 1 0 226.364 2.200 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCCN[C@H]1C ZINC000925703033 634379631 /nfs/dbraw/zinc/37/96/31/634379631.db2.gz SBAIMAVGMFIQLS-QWHCGFSZSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCCN[C@@H]1C ZINC000925703032 634380129 /nfs/dbraw/zinc/38/01/29/634380129.db2.gz SBAIMAVGMFIQLS-OLZOCXBDSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCCCCN(C)[C@H]1CC[C@H](C)[NH2+]C1 ZINC001246870515 988543966 /nfs/dbraw/zinc/54/39/66/988543966.db2.gz LJQPMFJUTMBSBJ-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO N#CC1(CN[C@@H]2CC[NH2+]C23CCC3)CCCCC1 ZINC000925707687 634396063 /nfs/dbraw/zinc/39/60/63/634396063.db2.gz QLUMTOMBDPTXHV-CYBMUJFWSA-N 1 0 247.386 2.335 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1CC[NH+](C)CC1 ZINC000931430666 634448139 /nfs/dbraw/zinc/44/81/39/634448139.db2.gz DOUTUTIIGRQHGE-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000909386155 634585660 /nfs/dbraw/zinc/58/56/60/634585660.db2.gz FDJKILRKOMCPCB-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000893543043 634610655 /nfs/dbraw/zinc/61/06/55/634610655.db2.gz PLRCHMRWIGVRBI-AAEUAGOBSA-N 1 0 214.312 2.466 20 30 BEEDRO CSCCCCCNC(=[NH2+])NC(C)(C)C ZINC000187051266 635428661 /nfs/dbraw/zinc/42/86/61/635428661.db2.gz KGWPFSGAQRVKID-UHFFFAOYSA-N 1 0 231.409 2.223 20 30 BEEDRO C#CCCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000178585912 635536290 /nfs/dbraw/zinc/53/62/90/635536290.db2.gz GNICNLJJMFEIBY-UHFFFAOYSA-N 1 0 229.327 2.443 20 30 BEEDRO C[C@@H](N[C@H]1CCCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000335498476 631232889 /nfs/dbraw/zinc/23/28/89/631232889.db2.gz NMXFXTATHQIWQX-DOMZBBRYSA-N 1 0 243.354 2.351 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000069767837 631274715 /nfs/dbraw/zinc/27/47/15/631274715.db2.gz YLLXBGKDONSGAF-SNVBAGLBSA-N 1 0 217.268 2.089 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000069767835 631279260 /nfs/dbraw/zinc/27/92/60/631279260.db2.gz YLLXBGKDONSGAF-JTQLQIEISA-N 1 0 217.268 2.089 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308341065 631295121 /nfs/dbraw/zinc/29/51/21/631295121.db2.gz BSPKFVMBYODFER-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308357171 631296840 /nfs/dbraw/zinc/29/68/40/631296840.db2.gz DHWYHDIQRPUYLR-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308355108 631297196 /nfs/dbraw/zinc/29/71/96/631297196.db2.gz YHCAZBGIGZIJAZ-VXGBXAGGSA-N 1 0 241.400 2.453 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)C12CCC2 ZINC000308376568 631312663 /nfs/dbraw/zinc/31/26/63/631312663.db2.gz TYOFFUNXFLAXMZ-MNOVXSKESA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1OCC ZINC000308410855 631325822 /nfs/dbraw/zinc/32/58/22/631325822.db2.gz LNEJARCWVVCTAS-NXEZZACHSA-N 1 0 203.713 2.286 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc(C2CC2)s1 ZINC000308538284 631329743 /nfs/dbraw/zinc/32/97/43/631329743.db2.gz TYDHDCDRLZYYDE-QMMMGPOBSA-N 1 0 206.314 2.132 20 30 BEEDRO CC#CC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933369680 631330419 /nfs/dbraw/zinc/33/04/19/631330419.db2.gz OGWQZQWWMOVPPO-AWEZNQCLSA-N 1 0 215.296 2.297 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](CSC)C1 ZINC000308573872 631339191 /nfs/dbraw/zinc/33/91/91/631339191.db2.gz LPFTZMQSHIBSMK-GFCCVEGCSA-N 1 0 211.374 2.475 20 30 BEEDRO C#CCCC[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933376737 631341638 /nfs/dbraw/zinc/34/16/38/631341638.db2.gz VPBDHQGRWHMJNI-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO CCCCCCCN1CCS(=O)CC1 ZINC000157907457 631347565 /nfs/dbraw/zinc/34/75/65/631347565.db2.gz DJLNIDXQCDRNOQ-UHFFFAOYSA-N 1 0 217.378 2.021 20 30 BEEDRO C#CCCC[NH2+][C@@](C)(CO)Cc1ccccc1F ZINC000933432704 631375453 /nfs/dbraw/zinc/37/54/53/631375453.db2.gz WPJLKWQCSGHFLN-OAHLLOKOSA-N 1 0 249.329 2.122 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CC=CCC2)C1 ZINC001022132960 631380317 /nfs/dbraw/zinc/38/03/17/631380317.db2.gz WLAAZEAGZPNDNC-GUTXKFCHSA-N 1 0 248.370 2.156 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000926203942 631425507 /nfs/dbraw/zinc/42/55/07/631425507.db2.gz ZVNVSDXHNRCBNU-IEVRTODYSA-N 1 0 224.348 2.231 20 30 BEEDRO CC[NH+]=C(NC[C@@H](C)SC)NC1CCCC1 ZINC000157975388 631426984 /nfs/dbraw/zinc/42/69/84/631426984.db2.gz ROPAECSAALNZAR-SNVBAGLBSA-N 1 0 243.420 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2C=CCCC2)C1 ZINC001022268712 631450447 /nfs/dbraw/zinc/45/04/47/631450447.db2.gz LMFABQMTTZWAFL-MCIONIFRSA-N 1 0 248.370 2.156 20 30 BEEDRO CC1CC(C[NH+]2CCC3(CC2)CC(=O)C=CO3)C1 ZINC000933644643 631471634 /nfs/dbraw/zinc/47/16/34/631471634.db2.gz RPSXCDABZMHWQF-UHFFFAOYSA-N 1 0 249.354 2.370 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCn2ccnc2C1 ZINC000926228422 631485479 /nfs/dbraw/zinc/48/54/79/631485479.db2.gz HRXWSFNQNHFTCQ-RYUDHWBXSA-N 1 0 246.358 2.116 20 30 BEEDRO CSCC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308740208 631558142 /nfs/dbraw/zinc/55/81/42/631558142.db2.gz OGCMAFMLTGFMKS-DCAQKATOSA-N 1 0 212.362 2.410 20 30 BEEDRO [NH2+]=C(NCc1ccccc1F)N1CCCCC1 ZINC000303698467 635634661 /nfs/dbraw/zinc/63/46/61/635634661.db2.gz GIFWMYWBNDDMLZ-UHFFFAOYSA-N 1 0 235.306 2.126 20 30 BEEDRO COc1ccc(CC[C@H](C)[NH2+]CCC#N)cc1O ZINC000425979587 635657432 /nfs/dbraw/zinc/65/74/32/635657432.db2.gz LIVGEOPGGCUAEA-NSHDSACASA-N 1 0 248.326 2.225 20 30 BEEDRO COC(=O)C[C@@H]([NH2+]CCCCC#N)C(C)(C)C ZINC000934031879 631631722 /nfs/dbraw/zinc/63/17/22/631631722.db2.gz ZIXJKBFTJTZNBF-LLVKDONJSA-N 1 0 240.347 2.248 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(OC)cn1 ZINC000894121781 635676761 /nfs/dbraw/zinc/67/67/61/635676761.db2.gz XBYBZCIZSRUQOW-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894121847 635677955 /nfs/dbraw/zinc/67/79/55/635677955.db2.gz YPTPQVXIGZYCAM-VXGBXAGGSA-N 1 0 243.322 2.176 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000308796610 631648605 /nfs/dbraw/zinc/64/86/05/631648605.db2.gz KLGADWJEDJAKKR-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000308820047 631672361 /nfs/dbraw/zinc/67/23/61/631672361.db2.gz GDQQETTXUCNTEQ-GRYCIOLGSA-N 1 0 241.425 2.369 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1ccsc1 ZINC000308826492 631674214 /nfs/dbraw/zinc/67/42/14/631674214.db2.gz RNCHXEUFTSQANA-UWVGGRQHSA-N 1 0 224.329 2.327 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H](C)CC1(C)C ZINC000308836521 631677381 /nfs/dbraw/zinc/67/73/81/631677381.db2.gz WPUDFBMAJSPTLT-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO CC[C@@]1(C)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000308831824 631677534 /nfs/dbraw/zinc/67/75/34/631677534.db2.gz UJWNICFDLDCWJL-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000934112556 631687821 /nfs/dbraw/zinc/68/78/21/631687821.db2.gz JIEQASKWIAEACS-CABCVRRESA-N 1 0 244.338 2.476 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1ccccc1O ZINC000308855707 631695033 /nfs/dbraw/zinc/69/50/33/631695033.db2.gz PSJBHMHMGDVTNR-SNVBAGLBSA-N 1 0 204.273 2.347 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CCC)C1 ZINC000972080221 631758974 /nfs/dbraw/zinc/75/89/74/631758974.db2.gz SURYYBKOPXQRIB-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC000972108950 631786059 /nfs/dbraw/zinc/78/60/59/631786059.db2.gz CSLGOPIFPKIVAW-DZGCQCFKSA-N 1 0 248.370 2.061 20 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209.333 2.191 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1Cc1ccc2nonc2c1 ZINC000934462319 631854631 /nfs/dbraw/zinc/85/46/31/631854631.db2.gz CFOPGGHVDQHSFL-NSHDSACASA-N 1 0 229.283 2.373 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)CCC(C)C ZINC000934462374 631854988 /nfs/dbraw/zinc/85/49/88/631854988.db2.gz CRZDVYGVKNKZLV-QWHCGFSZSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1CCC(=O)Nc1cccnc1 ZINC000934461972 631858726 /nfs/dbraw/zinc/85/87/26/631858726.db2.gz PQSHLXOGGLOSOF-ZDUSSCGKSA-N 1 0 245.326 2.061 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H]1CCCN(C(C)C)C1=O ZINC000934466638 631860632 /nfs/dbraw/zinc/86/06/32/631860632.db2.gz UTSYYMFKUILFRK-CHWSQXEVSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC1CCCC1 ZINC000934470348 631864055 /nfs/dbraw/zinc/86/40/55/631864055.db2.gz CEZFEUMHOPWGEJ-AAEUAGOBSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)N(CCC)CCC ZINC000934473278 631867610 /nfs/dbraw/zinc/86/76/10/631867610.db2.gz ZCQYFXANADFMKU-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCCC1(C)C ZINC000309088999 631875786 /nfs/dbraw/zinc/87/57/86/631875786.db2.gz AJJCYUKDURRYBH-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@@H](C)CC)[C@@H]1CCCO1 ZINC000309099250 631881708 /nfs/dbraw/zinc/88/17/08/631881708.db2.gz GBPOJVJWQKPUGT-RNJOBUHISA-N 1 0 209.333 2.191 20 30 BEEDRO CC[C@H](C)C[N@H+](CC)CCO[C@@H](C)C#N ZINC000308833530 631891749 /nfs/dbraw/zinc/89/17/49/631891749.db2.gz VDGWMLVCDBVPNJ-RYUDHWBXSA-N 1 0 212.337 2.283 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCCCCCCO ZINC000934512587 631893725 /nfs/dbraw/zinc/89/37/25/631893725.db2.gz RBQLBDYPXGMROM-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](C)C#N)cc1 ZINC000849004053 631901416 /nfs/dbraw/zinc/90/14/16/631901416.db2.gz WDLGNKLLOKVSQX-JTQLQIEISA-N 1 0 230.315 2.345 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H]1C ZINC000309148855 631910400 /nfs/dbraw/zinc/91/04/00/631910400.db2.gz VVICKYSBMKFPAR-LPWJVIDDSA-N 1 0 209.333 2.356 20 30 BEEDRO C#CCOCCNc1cc[nH+]c(C)c1Cl ZINC000309199437 631947899 /nfs/dbraw/zinc/94/78/99/631947899.db2.gz RARISEQEELPQMT-UHFFFAOYSA-N 1 0 224.691 2.105 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cn(CC2CC2)nn1 ZINC000934648015 632001584 /nfs/dbraw/zinc/00/15/84/632001584.db2.gz UJMVJEBNUULPLK-UHFFFAOYSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H](O)COC(C)C ZINC000934646764 632002432 /nfs/dbraw/zinc/00/24/32/632002432.db2.gz UREJSQVWOKXMKJ-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)[C@@]2(C)C=CCC2)CC1 ZINC000949711857 632106612 /nfs/dbraw/zinc/10/66/12/632106612.db2.gz LKAQPFCMDZLPDC-HNNXBMFYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1cc(CO)on1 ZINC000926520337 632426838 /nfs/dbraw/zinc/42/68/38/632426838.db2.gz IQEQWESQOZLJIE-SECBINFHSA-N 1 0 224.304 2.030 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2oc(C)nc21 ZINC000926525513 632440200 /nfs/dbraw/zinc/44/02/00/632440200.db2.gz KEVCJUNINQKHLQ-WOPDTQHZSA-N 1 0 248.326 2.294 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926528274 632445134 /nfs/dbraw/zinc/44/51/34/632445134.db2.gz WUAAXYKRZOKOSK-LLUNPGSJSA-N 1 0 239.384 2.346 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926528368 632445241 /nfs/dbraw/zinc/44/52/41/632445241.db2.gz YAISUKPCAYKQCE-TUAOUCFPSA-N 1 0 222.332 2.248 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)Cc1ccccn1 ZINC000926531044 632446240 /nfs/dbraw/zinc/44/62/40/632446240.db2.gz KPKXWXHZNGPRSK-YUELXQCFSA-N 1 0 246.354 2.336 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000926544391 632472277 /nfs/dbraw/zinc/47/22/77/632472277.db2.gz BDVLORGMQSLCGH-MCIONIFRSA-N 1 0 243.391 2.233 20 30 BEEDRO C=C(CC)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926550986 632485956 /nfs/dbraw/zinc/48/59/56/632485956.db2.gz PGSMLJZLKANTJB-HIFPTAJRSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000159031440 632502034 /nfs/dbraw/zinc/50/20/34/632502034.db2.gz AZXOEGWQCSSWTO-AAEUAGOBSA-N 1 0 230.311 2.335 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000229211169 632532671 /nfs/dbraw/zinc/53/26/71/632532671.db2.gz LDAVAFPMIKYUKD-ZETCQYMHSA-N 1 0 213.712 2.046 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000935214591 632532813 /nfs/dbraw/zinc/53/28/13/632532813.db2.gz SMCGVCLJHOAIOA-FRRDWIJNSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCCC1(C)C ZINC000309089001 632635567 /nfs/dbraw/zinc/63/55/67/632635567.db2.gz AJJCYUKDURRYBH-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(C#N)CC1 ZINC000309102955 632637778 /nfs/dbraw/zinc/63/77/78/632637778.db2.gz GPOPPAYCQGQALJ-UTUOFQBUSA-N 1 0 204.317 2.458 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC000972706530 632639762 /nfs/dbraw/zinc/63/97/62/632639762.db2.gz AMLHUUPFRIIFEX-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]([NH2+]Cc1sccc1C)[C@@H]1CCCO1 ZINC000309690427 632652006 /nfs/dbraw/zinc/65/20/06/632652006.db2.gz JCEJQQRMMQEGCU-RYUDHWBXSA-N 1 0 235.352 2.327 20 30 BEEDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1C#N ZINC000310311606 632717856 /nfs/dbraw/zinc/71/78/56/632717856.db2.gz UDLNPBKUMTYCJS-ZWNOBZJWSA-N 1 0 230.311 2.455 20 30 BEEDRO C=CCC(C)(C)CNC(=O)CC[NH2+]C(C)(C)C ZINC000310396547 632734431 /nfs/dbraw/zinc/73/44/31/632734431.db2.gz HSNDOIMLISLJGD-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO COC1(CC[N@@H+]2CCC[C@@H](C#N)C2)CCC1 ZINC000310471800 632746009 /nfs/dbraw/zinc/74/60/09/632746009.db2.gz IQJCSUYJMGTLOT-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1[NH2+]CCC[C@H]1Nc1ccc(C#N)cc1F ZINC000229600761 632981371 /nfs/dbraw/zinc/98/13/71/632981371.db2.gz DLWGMJGDBHSZBS-JOYOIKCWSA-N 1 0 233.290 2.250 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCCC[C@@H]1C[NH2+]CC ZINC001025040932 632982162 /nfs/dbraw/zinc/98/21/62/632982162.db2.gz PJWAKWQNVIUWBR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000229674007 632987404 /nfs/dbraw/zinc/98/74/04/632987404.db2.gz SZCHIDSQXCOTMG-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000229835871 632992054 /nfs/dbraw/zinc/99/20/54/632992054.db2.gz WDZLZFLQUFYINO-ZDUSSCGKSA-N 1 0 239.265 2.001 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1nn(C)c2ccccc12 ZINC000229970132 633003825 /nfs/dbraw/zinc/00/38/25/633003825.db2.gz DVYWGTXNTIVJCY-NSHDSACASA-N 1 0 227.311 2.075 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C)CC1)[C@@H]1CCCO1 ZINC000309389120 633004911 /nfs/dbraw/zinc/00/49/11/633004911.db2.gz FMRBQLXRUYUFLO-HOAMVYINSA-N 1 0 221.344 2.336 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000310854343 633011534 /nfs/dbraw/zinc/01/15/34/633011534.db2.gz DNWFGPIFPKKHEC-ZIAGYGMSSA-N 1 0 244.338 2.370 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000164362178 635897590 /nfs/dbraw/zinc/89/75/90/635897590.db2.gz IXLFHBOAOVTAQU-QWRGUYRKSA-N 1 0 240.347 2.160 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1[C@@H]1CCCCN1C(C)=O ZINC001025179283 633073406 /nfs/dbraw/zinc/07/34/06/633073406.db2.gz MARCKWIKUNCQGJ-KBPBESRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C#N)cs1 ZINC000177707441 633088677 /nfs/dbraw/zinc/08/86/77/633088677.db2.gz IFEJEETZPFEGHC-UHFFFAOYSA-N 1 0 204.298 2.123 20 30 BEEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]CCF)cc1 ZINC000309459839 633091161 /nfs/dbraw/zinc/09/11/61/633091161.db2.gz OMOINDKOWVUYPH-JTQLQIEISA-N 1 0 222.263 2.037 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCO[C@@H](CO)C1 ZINC000167813539 633134715 /nfs/dbraw/zinc/13/47/15/633134715.db2.gz JNXVHEKQSXZHRB-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO C=CC1CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000851770206 633182403 /nfs/dbraw/zinc/18/24/03/633182403.db2.gz PHHMWRZYBGOLJQ-GFCCVEGCSA-N 1 0 225.332 2.036 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)C1CCCCCC1 ZINC000783860971 633184511 /nfs/dbraw/zinc/18/45/11/633184511.db2.gz AQMCPDRLSREWBC-JTQLQIEISA-N 1 0 236.363 2.270 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2CC)CC1 ZINC000926841198 633209097 /nfs/dbraw/zinc/20/90/97/633209097.db2.gz XNRPGSMSCMPVGA-AAVRWANBSA-N 1 0 221.344 2.193 20 30 BEEDRO C[NH+]=C(NC[C@H]1CCc2ccccc21)NC1CC1 ZINC000171801540 633211313 /nfs/dbraw/zinc/21/13/13/633211313.db2.gz UDLDETPXRSRNOC-GFCCVEGCSA-N 1 0 243.354 2.044 20 30 BEEDRO C#CCCC[NH2+]Cc1c(C)nn(CC)c1C ZINC000309614627 633211456 /nfs/dbraw/zinc/21/14/56/633211456.db2.gz CJGWFCSIOMQGJY-UHFFFAOYSA-N 1 0 219.332 2.023 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(C)c(F)c1 ZINC000328099823 633237165 /nfs/dbraw/zinc/23/71/65/633237165.db2.gz KUGMIBRLYFOEGL-UHFFFAOYSA-N 1 0 248.345 2.179 20 30 BEEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000304200036 635935791 /nfs/dbraw/zinc/93/57/91/635935791.db2.gz BYIKNOVYRTVTFH-GRYCIOLGSA-N 1 0 242.388 2.179 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccccc1 ZINC000304201721 635937423 /nfs/dbraw/zinc/93/74/23/635937423.db2.gz CEKVDAQVIDTTTR-NEPJUHHUSA-N 1 0 218.300 2.266 20 30 BEEDRO CN(Cc1csc(C#N)c1)C[C@@H]1CCC[N@@H+]1C ZINC000894980114 636011543 /nfs/dbraw/zinc/01/15/43/636011543.db2.gz CSRPUHDWJZEGLN-LBPRGKRZSA-N 1 0 249.383 2.146 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CCOCC1CC1 ZINC000232481409 636062612 /nfs/dbraw/zinc/06/26/12/636062612.db2.gz QAZDOFMMVCIULP-UHFFFAOYSA-N 1 0 229.323 2.054 20 30 BEEDRO C#CCNC(NCCC1=CCCCC1)=[NH+]CC ZINC000073450189 636031839 /nfs/dbraw/zinc/03/18/39/636031839.db2.gz RXRMZEGUTXSXPL-UHFFFAOYSA-N 1 0 233.359 2.065 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cc(OC)ccc1O ZINC000054182750 636048610 /nfs/dbraw/zinc/04/86/10/636048610.db2.gz XPEXEODYEQXYDS-NSHDSACASA-N 1 0 234.299 2.183 20 30 BEEDRO C=CCCCCC[N@@H+](CC)CCS(C)(=O)=O ZINC000193447152 636054039 /nfs/dbraw/zinc/05/40/39/636054039.db2.gz YJWZDDPPSMQODO-UHFFFAOYSA-N 1 0 247.404 2.099 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(OC)c1F ZINC000193924920 636055974 /nfs/dbraw/zinc/05/59/74/636055974.db2.gz OXQUXPQJZIHNEA-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C#CCCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000163154926 636056867 /nfs/dbraw/zinc/05/68/67/636056867.db2.gz VCRLJTWCVLVGAM-KBPBESRZSA-N 1 0 223.360 2.415 20 30 BEEDRO COC[C@H](C)[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237239368 636076780 /nfs/dbraw/zinc/07/67/80/636076780.db2.gz QQMPWZKPFASCPO-NWDGAFQWSA-N 1 0 248.326 2.102 20 30 BEEDRO COC[C@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237239340 636077147 /nfs/dbraw/zinc/07/71/47/636077147.db2.gz QQMPWZKPFASCPO-RYUDHWBXSA-N 1 0 248.326 2.102 20 30 BEEDRO Cc1ccnc(N)c1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000895228349 636123003 /nfs/dbraw/zinc/12/30/03/636123003.db2.gz LCOLUSIUWPRZOJ-GFCCVEGCSA-N 1 0 244.342 2.098 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)C2CCOCC2)CC1 ZINC000926874561 633760037 /nfs/dbraw/zinc/76/00/37/633760037.db2.gz QSQWQGRILJKEOZ-CYBMUJFWSA-N 1 0 234.343 2.085 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)C#N)C1(Br)CC1 ZINC000926875371 633763253 /nfs/dbraw/zinc/76/32/53/633763253.db2.gz ZFABUBFVCWHAIV-MRVPVSSYSA-N 1 0 245.164 2.442 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000309017443 633844854 /nfs/dbraw/zinc/84/48/54/633844854.db2.gz VCXMFZNEZHXRAT-ZWNMCFTASA-N 1 0 203.260 2.450 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC000925531776 633926592 /nfs/dbraw/zinc/92/65/92/633926592.db2.gz NTTVCGWIJHJMQX-KGLIPLIRSA-N 1 0 243.391 2.498 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccnc(Cl)c1 ZINC000309590912 633962004 /nfs/dbraw/zinc/96/20/04/633962004.db2.gz USRIXOBZKYTLJO-KOLCDFICSA-N 1 0 240.734 2.323 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000895490434 636151198 /nfs/dbraw/zinc/15/11/98/636151198.db2.gz OPKYKIPXLSFPHY-REWJHTLYSA-N 1 0 223.360 2.175 20 30 BEEDRO C=C(C)COCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925617230 634167481 /nfs/dbraw/zinc/16/74/81/634167481.db2.gz BVLPXNPYUBDJHM-ZFWWWQNUSA-N 1 0 248.370 2.257 20 30 BEEDRO CNC(NCC[C@H](C)CC(C)(C)C)=[NH+]C ZINC000189387927 634179572 /nfs/dbraw/zinc/17/95/72/634179572.db2.gz OPGNEVZYYNFVEU-JTQLQIEISA-N 1 0 213.369 2.244 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)C1(C)C ZINC000311210582 634252227 /nfs/dbraw/zinc/25/22/27/634252227.db2.gz LBLZYOWVOXMJCE-CQSZACIVSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000162696328 634285845 /nfs/dbraw/zinc/28/58/45/634285845.db2.gz JIZKQNUTEVZDER-SECBINFHSA-N 1 0 207.273 2.065 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1(C)OCCCO1 ZINC000190662095 634325407 /nfs/dbraw/zinc/32/54/07/634325407.db2.gz DUUZVMUDQUEUNN-LBPRGKRZSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000162773392 634355044 /nfs/dbraw/zinc/35/50/44/634355044.db2.gz IVPWLEIACMNYSX-CHWSQXEVSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccccc1 ZINC001027728387 635127633 /nfs/dbraw/zinc/12/76/33/635127633.db2.gz ZGUCISWSWLAZCI-AWEZNQCLSA-N 1 0 244.338 2.067 20 30 BEEDRO CC#CCCN1CC[N@H+](CCC#CC)[C@@H](C)[C@@H]1C ZINC000662226103 635153585 /nfs/dbraw/zinc/15/35/85/635153585.db2.gz XMKBGKCEQCQRHD-HOTGVXAUSA-N 1 0 246.398 2.208 20 30 BEEDRO CC[C@H]1C[C@H](C[NH2+]CC(C)(C)C#N)CCO1 ZINC000336746048 635258715 /nfs/dbraw/zinc/25/87/15/635258715.db2.gz WARCIZGIEPIVND-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH2+]CC(C)(C)C#N)CCO1 ZINC000336746051 635258770 /nfs/dbraw/zinc/25/87/70/635258770.db2.gz WARCIZGIEPIVND-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCC[C@@H](NC(=O)CC)C1 ZINC000980828998 635288488 /nfs/dbraw/zinc/28/84/88/635288488.db2.gz GMRQTNSWGYXGLK-GHMZBOCLSA-N 1 0 244.766 2.166 20 30 BEEDRO C=CCC[N@H+]1CCCN(C(=O)/C(C)=C\C)CC1 ZINC000980938182 635303531 /nfs/dbraw/zinc/30/35/31/635303531.db2.gz DPAIUELAANRHRQ-ACAGNQJTSA-N 1 0 236.359 2.063 20 30 BEEDRO C[C@@H](c1ccncc1)[NH+]1CCC(C#N)CC1 ZINC000260199853 635309955 /nfs/dbraw/zinc/30/99/55/635309955.db2.gz VJBVHOCCTAWELX-NSHDSACASA-N 1 0 215.300 2.378 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000981475812 635364469 /nfs/dbraw/zinc/36/44/69/635364469.db2.gz NRBTWLARWWWJKE-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO N#CC1CCC(C[N@@H+]2C[C@@H]3C[C@@H]3C2)CC1 ZINC000261116438 635378715 /nfs/dbraw/zinc/37/87/15/635378715.db2.gz FWBIAQDHBVPDGR-BPNZPQAUSA-N 1 0 204.317 2.268 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2nccn2C1 ZINC000925814996 635381674 /nfs/dbraw/zinc/38/16/74/635381674.db2.gz RTDXZPATVDGBQJ-NWDGAFQWSA-N 1 0 246.358 2.116 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2nccn2C1 ZINC000925814995 635382249 /nfs/dbraw/zinc/38/22/49/635382249.db2.gz RTDXZPATVDGBQJ-NEPJUHHUSA-N 1 0 246.358 2.116 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000250843426 635700892 /nfs/dbraw/zinc/70/08/92/635700892.db2.gz YZVOOGFMSHIRGN-CHWSQXEVSA-N 1 0 229.364 2.038 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000166689827 636138172 /nfs/dbraw/zinc/13/81/72/636138172.db2.gz FXVJRULPUAYCFI-VIFPVBQESA-N 1 0 218.256 2.015 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1nc(C(F)F)no1 ZINC000895725353 636175179 /nfs/dbraw/zinc/17/51/79/636175179.db2.gz LCFIFZBYGMIFRG-ZETCQYMHSA-N 1 0 244.245 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H](C#N)C1 ZINC000896506547 636198705 /nfs/dbraw/zinc/19/87/05/636198705.db2.gz UMHUTXCMYJNRHR-RYUDHWBXSA-N 1 0 205.305 2.162 20 30 BEEDRO CCNC(NCc1ccc(C)c(OC)c1)=[NH+]CC ZINC000303269237 636306349 /nfs/dbraw/zinc/30/63/49/636306349.db2.gz ZYQLQIULFMWDKS-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO CNC(NCC(C)(C)C1CCCCC1)=[NH+]C ZINC000305734285 636330152 /nfs/dbraw/zinc/33/01/52/636330152.db2.gz WGXQZNLIFMSIBO-UHFFFAOYSA-N 1 0 225.380 2.388 20 30 BEEDRO COC1(CNC(=[NH2+])Nc2cccc(C)c2)CCC1 ZINC000305837796 636333103 /nfs/dbraw/zinc/33/31/03/636333103.db2.gz GGKYRDHWCONEDD-UHFFFAOYSA-N 1 0 247.342 2.291 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC([N@@H+](C)CC)CC1 ZINC000985569827 636349323 /nfs/dbraw/zinc/34/93/23/636349323.db2.gz ALCFVHDNCQWPPU-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@H]1C ZINC000985903955 636449467 /nfs/dbraw/zinc/44/94/67/636449467.db2.gz XOKCFJPLMYGIPK-GXTWGEPZSA-N 1 0 244.338 2.065 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccccc2)[C@@H]1C ZINC000985903959 636449950 /nfs/dbraw/zinc/44/99/50/636449950.db2.gz XOKCFJPLMYGIPK-TZMCWYRMSA-N 1 0 244.338 2.065 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C=C(C)C)[C@H]1C ZINC000985931865 636453685 /nfs/dbraw/zinc/45/36/85/636453685.db2.gz UIUVNPWJFQDINN-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)[C@H]1C ZINC000986134702 636532444 /nfs/dbraw/zinc/53/24/44/636532444.db2.gz LOCIVPZAVMQLOA-OAIDTJHVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000321084995 636562583 /nfs/dbraw/zinc/56/25/83/636562583.db2.gz CHATYOCRDAEDBG-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000321088938 636563186 /nfs/dbraw/zinc/56/31/86/636563186.db2.gz DCGMFQAHSMNRFB-CYBMUJFWSA-N 1 0 235.327 2.117 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc2ccc(C)cn12 ZINC000178915905 636569232 /nfs/dbraw/zinc/56/92/32/636569232.db2.gz CLTQRRWYBJULMZ-UHFFFAOYSA-N 1 0 227.311 2.146 20 30 BEEDRO CC[C@@H](C)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897396291 636577794 /nfs/dbraw/zinc/57/77/94/636577794.db2.gz IDLMCXOPWGLQNJ-LLVKDONJSA-N 1 0 232.331 2.001 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CCC(C)(C)SC ZINC000321412369 636646218 /nfs/dbraw/zinc/64/62/18/636646218.db2.gz JMWIFDYWCPSRJP-LLVKDONJSA-N 1 0 231.405 2.435 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccco2)C1 ZINC000987792887 636668807 /nfs/dbraw/zinc/66/88/07/636668807.db2.gz IEBLOWZBHGZSOU-NWDGAFQWSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988056383 636677720 /nfs/dbraw/zinc/67/77/20/636677720.db2.gz KOQYWSBDVRAORD-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988056381 636676906 /nfs/dbraw/zinc/67/69/06/636676906.db2.gz KOQYWSBDVRAORD-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccoc2)C1 ZINC000988072912 636677827 /nfs/dbraw/zinc/67/78/27/636677827.db2.gz YBHZJTZRVSJANR-WCQYABFASA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000888179589 636689885 /nfs/dbraw/zinc/68/98/85/636689885.db2.gz ZHWCIHQOPJGHSB-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC=CC2)C1 ZINC000988434195 636708732 /nfs/dbraw/zinc/70/87/32/636708732.db2.gz DCMNGFLJRUNORW-TZMCWYRMSA-N 1 0 248.370 2.108 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](C3CC3)O2)C1 ZINC000897506168 636730273 /nfs/dbraw/zinc/73/02/73/636730273.db2.gz VUEQWZGKQCPLQL-CABNGKKXSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(F)=C(C)C)C1 ZINC000988591587 636743870 /nfs/dbraw/zinc/74/38/70/636743870.db2.gz RICCUIWYFBASLR-GHMZBOCLSA-N 1 0 240.322 2.015 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)C[C@H](C)O1 ZINC000929123956 636812346 /nfs/dbraw/zinc/81/23/46/636812346.db2.gz FSAMJSHFNHXIRF-VTXSZYRJSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(CCO)C1 ZINC000898012142 636853978 /nfs/dbraw/zinc/85/39/78/636853978.db2.gz ZASZWUQBWDVFNN-ZFDZMSFRSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(Br)C[NH2+][C@H](COC)C(C)C ZINC000083400135 636872422 /nfs/dbraw/zinc/87/24/22/636872422.db2.gz RLKASKLLHYPFTK-SECBINFHSA-N 1 0 236.153 2.156 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCCO1 ZINC000927025113 636995058 /nfs/dbraw/zinc/99/50/58/636995058.db2.gz ZTDZDHWHGNZMGS-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cncc(C(C)C)c1 ZINC000888239111 637190706 /nfs/dbraw/zinc/19/07/06/637190706.db2.gz DYIPORWWJCEQTD-UHFFFAOYSA-N 1 0 247.342 2.261 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)CC[C@H]1C ZINC000900903213 637196274 /nfs/dbraw/zinc/19/62/74/637196274.db2.gz GPDWUALNIUGMGZ-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903131872 637347088 /nfs/dbraw/zinc/34/70/88/637347088.db2.gz KYEZORMXEIGTOF-KBPBESRZSA-N 1 0 241.375 2.494 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000903180371 637350100 /nfs/dbraw/zinc/35/01/00/637350100.db2.gz ZXLMPIAJXBUFQI-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904564108 637441686 /nfs/dbraw/zinc/44/16/86/637441686.db2.gz OBZIHOTZYDBYJG-UHFFFAOYSA-N 1 0 233.315 2.188 20 30 BEEDRO C=CCCc1noc([C@@](C)(C[NH3+])CC(C)C)n1 ZINC000904735907 637463139 /nfs/dbraw/zinc/46/31/39/637463139.db2.gz ZXHNYIZLVBTOEG-CYBMUJFWSA-N 1 0 237.347 2.451 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1cccc(C)c1)C(C)C ZINC000905243219 637703467 /nfs/dbraw/zinc/70/34/67/637703467.db2.gz HPURFTXIKIBQGP-LSDHHAIUSA-N 1 0 231.339 2.276 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1cccc(C)c1)C(C)C ZINC000905243218 637704091 /nfs/dbraw/zinc/70/40/91/637704091.db2.gz HPURFTXIKIBQGP-HUUCEWRRSA-N 1 0 231.339 2.276 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905272450 637730297 /nfs/dbraw/zinc/73/02/97/637730297.db2.gz HMWUYTXBSDGDJJ-VIFPVBQESA-N 1 0 225.254 2.246 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905274430 637731412 /nfs/dbraw/zinc/73/14/12/637731412.db2.gz SCISGPOFXRUERY-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC(C)(C)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905310468 637766457 /nfs/dbraw/zinc/76/64/57/637766457.db2.gz VZJUOANXKJAFTQ-UHFFFAOYSA-N 1 0 249.358 2.465 20 30 BEEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000905473005 637831901 /nfs/dbraw/zinc/83/19/01/637831901.db2.gz KSYYJQCURHIONQ-IKOXMDCHSA-N 1 0 231.343 2.312 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000905564396 637848997 /nfs/dbraw/zinc/84/89/97/637848997.db2.gz LGGWPSQIJDVZIM-OAHLLOKOSA-N 1 0 246.354 2.451 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@H](O)c2ccccn2)CC1 ZINC000905564395 637849354 /nfs/dbraw/zinc/84/93/54/637849354.db2.gz LGGWPSQIJDVZIM-HNNXBMFYSA-N 1 0 246.354 2.451 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621071 637860855 /nfs/dbraw/zinc/86/08/55/637860855.db2.gz KPPWNKSXESKCEU-BZPMIXESSA-N 1 0 236.359 2.067 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000905652393 637872988 /nfs/dbraw/zinc/87/29/88/637872988.db2.gz FIZJWVBBKZNNNU-ODWCKFRGSA-N 1 0 249.383 2.446 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000905664613 637875363 /nfs/dbraw/zinc/87/53/63/637875363.db2.gz CLUIXTDWQJLTIT-ZDEQEGDKSA-N 1 0 236.359 2.065 20 30 BEEDRO C#CCN(CN1C(=O)[C@@H]2CCCCC[C@H]21)C(C)C ZINC000905747823 637897861 /nfs/dbraw/zinc/89/78/61/637897861.db2.gz DRNQIECHXYTFRL-ZIAGYGMSSA-N 1 0 248.370 2.079 20 30 BEEDRO CC1(C)C[C@@]1(C)C[NH2+]C[C@@H](C#N)CCC#N ZINC000905781456 637911246 /nfs/dbraw/zinc/91/12/46/637911246.db2.gz RCZCVFQVFHNDLV-YPMHNXCESA-N 1 0 219.332 2.456 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+]C[C@H](C#N)CCC#N)OC1 ZINC000905773720 637929042 /nfs/dbraw/zinc/92/90/42/637929042.db2.gz DZTIKYADELULNI-QWHCGFSZSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905961560 638008567 /nfs/dbraw/zinc/00/85/67/638008567.db2.gz BTQPYDJRBVIHOB-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO C=C(C)c1cnc([C@H]2CCCC[NH2+]2)nc1 ZINC000906168249 638083608 /nfs/dbraw/zinc/08/36/08/638083608.db2.gz IMSMGXRSAAYGAI-LLVKDONJSA-N 1 0 203.289 2.324 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CCC1CC1 ZINC000907438091 638376990 /nfs/dbraw/zinc/37/69/90/638376990.db2.gz SAJMRACGAPWVAO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CCC1CC1 ZINC000907380685 638377360 /nfs/dbraw/zinc/37/73/60/638377360.db2.gz NDEOIMVTWRDOKI-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)[C@H]1CC ZINC000907484768 638389542 /nfs/dbraw/zinc/38/95/42/638389542.db2.gz CIIAXGQOGSZGOF-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)[C@H]1CC ZINC000907484769 638390208 /nfs/dbraw/zinc/39/02/08/638390208.db2.gz CIIAXGQOGSZGOF-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907635663 638427500 /nfs/dbraw/zinc/42/75/00/638427500.db2.gz KDUGILSPZLKJPS-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)C(C)C ZINC000907613486 638432559 /nfs/dbraw/zinc/43/25/59/638432559.db2.gz YMHCLUZOOMYCCL-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C)C1 ZINC000907912451 638510169 /nfs/dbraw/zinc/51/01/69/638510169.db2.gz OGLYOKWIYACWQU-AAEUAGOBSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C)C1 ZINC000907912458 638510706 /nfs/dbraw/zinc/51/07/06/638510706.db2.gz OGLYOKWIYACWQU-YPMHNXCESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H]1C ZINC000907973243 638530998 /nfs/dbraw/zinc/53/09/98/638530998.db2.gz KLOYADJTSBBXIJ-WCQYABFASA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000348317213 639045148 /nfs/dbraw/zinc/04/51/48/639045148.db2.gz JEZAFCPFGGLDFO-LPEHRKFASA-N 1 0 236.290 2.117 20 30 BEEDRO C=C(C)CCNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000908930238 639104565 /nfs/dbraw/zinc/10/45/65/639104565.db2.gz ULGNOAGGDQEFEP-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)C[C@H]1C ZINC000911301320 639617053 /nfs/dbraw/zinc/61/70/53/639617053.db2.gz ZOTDBLVBSWAEJS-DGCLKSJQSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C(=O)OC)[C@H](C)CC ZINC000930243208 639654252 /nfs/dbraw/zinc/65/42/52/639654252.db2.gz BSBJLBVSEXZCLM-GHMZBOCLSA-N 1 0 213.321 2.082 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@H+](C)CCCCO ZINC000930254258 639666839 /nfs/dbraw/zinc/66/68/39/639666839.db2.gz ORNYRGCUTXNXOW-UHFFFAOYSA-N 1 0 246.354 2.379 20 30 BEEDRO CC1(C)C[N@H+](CC2CCC(C#N)CC2)C[C@@H]1O ZINC000930271610 639675337 /nfs/dbraw/zinc/67/53/37/639675337.db2.gz XEOPKQNVZSFVQJ-BPCQOVAHSA-N 1 0 236.359 2.019 20 30 BEEDRO CC(C)(C)[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930295991 639686242 /nfs/dbraw/zinc/68/62/42/639686242.db2.gz LFCGWLZLAIVTCR-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1([NH3+])CCCCC1 ZINC000911652466 639708794 /nfs/dbraw/zinc/70/87/94/639708794.db2.gz QIOLPBAIIIUPMO-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)c1ccccc1 ZINC000035604070 639738852 /nfs/dbraw/zinc/73/88/52/639738852.db2.gz CYRBLHZDWMROGD-OLZOCXBDSA-N 1 0 218.300 2.002 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)c1ccccc1 ZINC000035604072 639739600 /nfs/dbraw/zinc/73/96/00/639739600.db2.gz CYRBLHZDWMROGD-QWHCGFSZSA-N 1 0 218.300 2.002 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911725185 639751042 /nfs/dbraw/zinc/75/10/42/639751042.db2.gz JDUFWFHNKXTXOR-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911725184 639751798 /nfs/dbraw/zinc/75/17/98/639751798.db2.gz JDUFWFHNKXTXOR-UPJWGTAASA-N 1 0 238.375 2.093 20 30 BEEDRO C[C@H]1C[C@H](c2ccccc2)[N@H+](C[C@H](O)CC#N)C1 ZINC000930474070 639771175 /nfs/dbraw/zinc/77/11/75/639771175.db2.gz GVJBWVSLDLZBSZ-NWANDNLSSA-N 1 0 244.338 2.344 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911755048 639784465 /nfs/dbraw/zinc/78/44/65/639784465.db2.gz YIMZBHVUMSSBNB-NEPJUHHUSA-N 1 0 238.375 2.175 20 30 BEEDRO CC[N@H+](CC1CCC(C#N)CC1)[C@H](C)CO ZINC000930539482 639805727 /nfs/dbraw/zinc/80/57/27/639805727.db2.gz ZFRXVLCLRJJJBF-PNESKVBLSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[NH+](CC)CCCCNc1ccnc(C#N)c1 ZINC000911787410 639806138 /nfs/dbraw/zinc/80/61/38/639806138.db2.gz JXKGLDPJVWFJRM-UHFFFAOYSA-N 1 0 246.358 2.487 20 30 BEEDRO COC[C@H](C[N@H+](C)CC(C)(C)C#N)C(C)C ZINC000930571323 639812380 /nfs/dbraw/zinc/81/23/80/639812380.db2.gz ZLPSDVZRJFPRAW-LBPRGKRZSA-N 1 0 226.364 2.387 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000930587485 639814567 /nfs/dbraw/zinc/81/45/67/639814567.db2.gz CGVBSOUTNZOZQR-ZJUUUORDSA-N 1 0 235.249 2.051 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+]C[C@H](O)CC#N)ccc1F ZINC000930598269 639816300 /nfs/dbraw/zinc/81/63/00/639816300.db2.gz KBEJKWMPTSOGGJ-ZYHUDNBSSA-N 1 0 236.290 2.059 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000930599520 639816731 /nfs/dbraw/zinc/81/67/31/639816731.db2.gz ABOTYPPFPBOFII-UWVGGRQHSA-N 1 0 237.265 2.081 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)c1snnc1C ZINC000930601030 639816868 /nfs/dbraw/zinc/81/68/68/639816868.db2.gz PZZYDDRNBBRQDT-GZMMTYOYSA-N 1 0 223.345 2.299 20 30 BEEDRO N#CC1CCC(C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000930603677 639817727 /nfs/dbraw/zinc/81/77/27/639817727.db2.gz PQKYYEPSYQGKOE-HTAVTVPLSA-N 1 0 210.296 2.360 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000911833028 639843337 /nfs/dbraw/zinc/84/33/37/639843337.db2.gz XZEXQAAZPASTJC-JSGCOSHPSA-N 1 0 240.391 2.468 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000911833032 639843658 /nfs/dbraw/zinc/84/36/58/639843658.db2.gz XZEXQAAZPASTJC-TZMCWYRMSA-N 1 0 240.391 2.468 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1C[C@H]1CC ZINC000930650208 639844974 /nfs/dbraw/zinc/84/49/74/639844974.db2.gz KWIPRITXSQBOAL-XQHKEYJVSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1CC ZINC000911899117 639862268 /nfs/dbraw/zinc/86/22/68/639862268.db2.gz GXJYNORKBRAYMX-QWHCGFSZSA-N 1 0 238.375 2.461 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000930692605 639862376 /nfs/dbraw/zinc/86/23/76/639862376.db2.gz HXMGAXYNFGNACN-ZIAGYGMSSA-N 1 0 232.327 2.310 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1 ZINC000911895454 639872744 /nfs/dbraw/zinc/87/27/44/639872744.db2.gz UQZKXYLAXVVTSB-GFCCVEGCSA-N 1 0 218.300 2.309 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000911917920 639877872 /nfs/dbraw/zinc/87/78/72/639877872.db2.gz XNOLLJIDFFYVDK-XQQFMLRXSA-N 1 0 238.375 2.460 20 30 BEEDRO C=CCNC(=O)[C@H]([NH3+])CCCCCCCC ZINC000911926245 639882341 /nfs/dbraw/zinc/88/23/41/639882341.db2.gz RVPBKLPCCKPXKQ-GFCCVEGCSA-N 1 0 226.364 2.367 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1C ZINC000911959186 639905744 /nfs/dbraw/zinc/90/57/44/639905744.db2.gz CWAMYKLVJHESOW-RYUDHWBXSA-N 1 0 224.348 2.071 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000911962751 639906832 /nfs/dbraw/zinc/90/68/32/639906832.db2.gz WGFGKGHSZLMAPD-RWMBFGLXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)CCCC ZINC000911962778 639906904 /nfs/dbraw/zinc/90/69/04/639906904.db2.gz WTWCGGPPUOPHSS-GFCCVEGCSA-N 1 0 226.364 2.319 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CCC)CC1CC1 ZINC000911965548 639911581 /nfs/dbraw/zinc/91/15/81/639911581.db2.gz XQJJMOPJMBRORD-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ncc(C)s1 ZINC000911972823 639913961 /nfs/dbraw/zinc/91/39/61/639913961.db2.gz ZHYCTHMSWOTNTN-SECBINFHSA-N 1 0 239.344 2.074 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C/C=C(\C)COC)C1 ZINC000930817288 639919588 /nfs/dbraw/zinc/91/95/88/639919588.db2.gz VFXHNGRYMCWTFJ-CZAWJFPGSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CC1CC[NH+](CCCc2cccnc2)CC1 ZINC000930821655 639921511 /nfs/dbraw/zinc/92/15/11/639921511.db2.gz GYLUTWHKUQIEAP-UHFFFAOYSA-N 1 0 228.339 2.359 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C ZINC000912066648 639931559 /nfs/dbraw/zinc/93/15/59/639931559.db2.gz SLCALUFWSFUCIG-CQSZACIVSA-N 1 0 246.354 2.295 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000930867334 639960835 /nfs/dbraw/zinc/96/08/35/639960835.db2.gz IDKYPAOVZHFLPR-RYUDHWBXSA-N 1 0 222.332 2.370 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@](O)(CC)C(F)(F)F)C1 ZINC000930884814 639971252 /nfs/dbraw/zinc/97/12/52/639971252.db2.gz HIDUMOZXVPKXOS-GHMZBOCLSA-N 1 0 249.276 2.035 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@H]1CCCC12CCCCC2 ZINC000930922562 639990421 /nfs/dbraw/zinc/99/04/21/639990421.db2.gz ZBVPFFMMUYQBTA-OLZOCXBDSA-N 1 0 236.359 2.354 20 30 BEEDRO C=CC[N@H+](C[C@H](COC)C(C)C)[C@@H](C)COC ZINC000930932070 639995352 /nfs/dbraw/zinc/99/53/52/639995352.db2.gz GPJUZTVYRVKWMF-UONOGXRCSA-N 1 0 243.391 2.428 20 30 BEEDRO C=CC[N@H+](C[C@H](COC)C(C)C)[C@H](C)COC ZINC000930932071 639996363 /nfs/dbraw/zinc/99/63/63/639996363.db2.gz GPJUZTVYRVKWMF-ZIAGYGMSSA-N 1 0 243.391 2.428 20 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ISQOWPLDPGDZQE-UHFFFAOYSA-N 1 0 219.332 2.452 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@H]1CC2(CC2)C(=O)O1 ZINC000934645609 641227472 /nfs/dbraw/zinc/22/74/72/641227472.db2.gz VNOVFXAUHBDNKF-GFCCVEGCSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](CC)C(=O)OC ZINC000934644700 641227676 /nfs/dbraw/zinc/22/76/76/641227676.db2.gz GYDIQCRSGCFUNN-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@@H+](CC)CCn1ccnc1C ZINC000934644776 641229516 /nfs/dbraw/zinc/22/95/16/641229516.db2.gz IAPKGESIGFVDDM-UHFFFAOYSA-N 1 0 221.348 2.480 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cc(=O)c(O)co1 ZINC000934646590 641232604 /nfs/dbraw/zinc/23/26/04/641232604.db2.gz QPGGWHHMLVKSJB-UHFFFAOYSA-N 1 0 237.299 2.134 20 30 BEEDRO C=CCCC[N@@H+](CC)CC[C@H]1CCOC1=O ZINC000934646253 641233129 /nfs/dbraw/zinc/23/31/29/641233129.db2.gz NGGARBKXUPPHEW-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCC[N@@H+](CC)CCn1ccccc1=O ZINC000934646216 641233308 /nfs/dbraw/zinc/23/33/08/641233308.db2.gz KBASNBXFPPLOEX-UHFFFAOYSA-N 1 0 234.343 2.136 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000174060003 641233757 /nfs/dbraw/zinc/23/37/57/641233757.db2.gz HEKDPBGJQHMJRR-CYBMUJFWSA-N 1 0 245.370 2.421 20 30 BEEDRO C=CCCC[N@@H+](CC)CC(=O)N[C@H](C)C(C)C ZINC000934651821 641234211 /nfs/dbraw/zinc/23/42/11/641234211.db2.gz VGIHYYRWTCLSJY-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934765324 641262404 /nfs/dbraw/zinc/26/24/04/641262404.db2.gz DWTOCJNKIOAMSB-NEPJUHHUSA-N 1 0 209.358 2.085 20 30 BEEDRO C=C(Cl)CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000174313376 641269585 /nfs/dbraw/zinc/26/95/85/641269585.db2.gz BJIBAYLFZYKUIL-LLVKDONJSA-N 1 0 216.756 2.155 20 30 BEEDRO C=C(CC)C[NH2+]C1(CC(N)=O)CCCCC1 ZINC000934823585 641282472 /nfs/dbraw/zinc/28/24/72/641282472.db2.gz UDSPZVOEKNNBDD-UHFFFAOYSA-N 1 0 224.348 2.121 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CCCOCC1CC1 ZINC000232463361 641286018 /nfs/dbraw/zinc/28/60/18/641286018.db2.gz HSGJHXYOTDMRSM-UHFFFAOYSA-N 1 0 243.350 2.444 20 30 BEEDRO 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CCNC(NCC1(CC)CCC1)=[NH+]CC ZINC000083937270 641347097 /nfs/dbraw/zinc/34/70/97/641347097.db2.gz YPTHSMNBKYSUDE-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000935189049 641359260 /nfs/dbraw/zinc/35/92/60/641359260.db2.gz GVCJSOUECZSSPN-JHJVBQTASA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCC[NH2+][C@](C)(CC)CC(=O)OC ZINC000151553398 641384598 /nfs/dbraw/zinc/38/45/98/641384598.db2.gz BVRNEDCIHKTNLG-GFCCVEGCSA-N 1 0 213.321 2.274 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC(C)(C)O ZINC000929654743 641389515 /nfs/dbraw/zinc/38/95/15/641389515.db2.gz PKOBIRVDTVRRGW-UHFFFAOYSA-N 1 0 246.354 2.378 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CC)CCC[NH+](C)C ZINC000935582635 641433400 /nfs/dbraw/zinc/43/34/00/641433400.db2.gz XYMUEUACHLXFIO-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO CCCCCCCC[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000313661145 641572035 /nfs/dbraw/zinc/57/20/35/641572035.db2.gz QTAHBMOOLRBWEX-AWEZNQCLSA-N 1 0 243.391 2.166 20 30 BEEDRO 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C#CCCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000182014548 642940478 /nfs/dbraw/zinc/94/04/78/642940478.db2.gz ZHEBURBYVTUVBB-IHRRRGAJSA-N 1 0 233.355 2.337 20 30 BEEDRO C#CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000070160780 642979545 /nfs/dbraw/zinc/97/95/45/642979545.db2.gz CLPPPDXCEYZCRJ-UHFFFAOYSA-N 1 0 248.757 2.485 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001018557719 643001493 /nfs/dbraw/zinc/00/14/93/643001493.db2.gz WXKGPWHQUWANOA-BCNIOPEESA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)C1 ZINC001018905191 643016615 /nfs/dbraw/zinc/01/66/15/643016615.db2.gz WCBOHIMKTSVVND-ZFWWWQNUSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001019333736 643026821 /nfs/dbraw/zinc/02/68/21/643026821.db2.gz ANXIPFPEOKMHHT-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000163118396 643072169 /nfs/dbraw/zinc/07/21/69/643072169.db2.gz LVRJUICYPYDVQY-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2(C)CC(=C)C2)C1 ZINC001019352178 643031680 /nfs/dbraw/zinc/03/16/80/643031680.db2.gz GDCUPRSVUHLBGO-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000182614808 643043763 /nfs/dbraw/zinc/04/37/63/643043763.db2.gz FQCVWSIGQSVMRU-UHFFFAOYSA-N 1 0 235.283 2.129 20 30 BEEDRO CC[C@H](COC)[NH2+]CC#Cc1ccccc1 ZINC000070625475 643050911 /nfs/dbraw/zinc/05/09/11/643050911.db2.gz DYQZNHNLZPIOIF-CQSZACIVSA-N 1 0 217.312 2.053 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC=CCC2)C1 ZINC001019979519 643051151 /nfs/dbraw/zinc/05/11/51/643051151.db2.gz RPXVHENVNVMOAP-MGPQQGTHSA-N 1 0 248.370 2.156 20 30 BEEDRO CCC[C@H]([NH2+]CCO[C@@H](C)C#N)C1CCC1 ZINC000324953075 643096203 /nfs/dbraw/zinc/09/62/03/643096203.db2.gz CAVICADHISSMHH-AAEUAGOBSA-N 1 0 224.348 2.473 20 30 BEEDRO C[NH+](C)CCNc1nc2ccccc2cc1C#N ZINC000071385720 643138387 /nfs/dbraw/zinc/13/83/87/643138387.db2.gz SMGTUPBVTZQTDS-UHFFFAOYSA-N 1 0 240.310 2.080 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC=CCC2)C1 ZINC001020472979 643147681 /nfs/dbraw/zinc/14/76/81/643147681.db2.gz OOOJXVAHXKGTTM-MGPQQGTHSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C2=CCCC2)[C@@H](C)C1 ZINC000941936856 643151131 /nfs/dbraw/zinc/15/11/31/643151131.db2.gz SHXQOEYNNXBZHL-GXTWGEPZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000183825533 643172511 /nfs/dbraw/zinc/17/25/11/643172511.db2.gz KEEJTAPYUDUMEL-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C2(C)CC=CC2)C1 ZINC001020544980 643174439 /nfs/dbraw/zinc/17/44/39/643174439.db2.gz GLKIFDPOSVTPQY-JOCQHMNTSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CCC[NH+]1CC([C@H](C)NC(=O)C2=CCCC2)C1 ZINC000969490582 643179045 /nfs/dbraw/zinc/17/90/45/643179045.db2.gz NVVBHDZKZZRPPA-LBPRGKRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)C2=CCCC2)C1 ZINC000969490581 643179535 /nfs/dbraw/zinc/17/95/35/643179535.db2.gz NVVBHDZKZZRPPA-GFCCVEGCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000183905703 643181002 /nfs/dbraw/zinc/18/10/02/643181002.db2.gz YXVAIAOUCRQRAB-NSHDSACASA-N 1 0 245.750 2.214 20 30 BEEDRO CC(C)[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000081058311 643190934 /nfs/dbraw/zinc/19/09/34/643190934.db2.gz PWVSOIBAPYLEGY-SWLSCSKDSA-N 1 0 246.354 2.473 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000184277852 643201934 /nfs/dbraw/zinc/20/19/34/643201934.db2.gz MESMDVONTDKXTD-NSHDSACASA-N 1 0 241.718 2.072 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000178060996 643263179 /nfs/dbraw/zinc/26/31/79/643263179.db2.gz CPUQMHKUCVYPCJ-LLVKDONJSA-N 1 0 209.333 2.336 20 30 BEEDRO C/C=C(/C)C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC000255042719 643276994 /nfs/dbraw/zinc/27/69/94/643276994.db2.gz VEXDZQMAXVXWEH-TZQNSNDFSA-N 1 0 237.343 2.230 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)C)CC1(C)C ZINC000995486131 643304693 /nfs/dbraw/zinc/30/46/93/643304693.db2.gz POTRYWUVXCZUFT-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000843426760 643365125 /nfs/dbraw/zinc/36/51/25/643365125.db2.gz JUNTUWCPZWUYDO-UHFFFAOYSA-N 1 0 245.370 2.483 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCOC(C)C ZINC000049800840 643443800 /nfs/dbraw/zinc/44/38/00/643443800.db2.gz VARTVZFKAVKMHP-UHFFFAOYSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)Cc1ccccc1 ZINC000307568994 643516698 /nfs/dbraw/zinc/51/66/98/643516698.db2.gz WRSRPTJIHKQBMV-LBPRGKRZSA-N 1 0 218.300 2.047 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2CCC=CCC2)C1 ZINC000970738851 643525248 /nfs/dbraw/zinc/52/52/48/643525248.db2.gz JFHXZIOQCZIMGV-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000996883315 643533445 /nfs/dbraw/zinc/53/34/45/643533445.db2.gz SDORZVBTQRREDE-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C(C)=C/C ZINC001032342791 643542425 /nfs/dbraw/zinc/54/24/25/643542425.db2.gz BAMJMKQMEUZFGR-NUIMBWKGSA-N 1 0 248.370 2.204 20 30 BEEDRO N#Cc1cc(C[NH2+]CC[C@H]2CCCO2)cs1 ZINC000921520665 643581046 /nfs/dbraw/zinc/58/10/46/643581046.db2.gz VHEYVSXWEKZVAU-LLVKDONJSA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000921528202 643586984 /nfs/dbraw/zinc/58/69/84/643586984.db2.gz FDJDFFMAHSPIDR-WPRPVWTQSA-N 1 0 206.314 2.365 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)c1ccccc1 ZINC000085057415 643593956 /nfs/dbraw/zinc/59/39/56/643593956.db2.gz ASXGGZRCIYNGCQ-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO CC[N@@H+]1CC[C@@H](CNCc2csc(C#N)c2)C1 ZINC000921544409 643595205 /nfs/dbraw/zinc/59/52/05/643595205.db2.gz BCNURFBWLXRSCL-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO CCOCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921551090 643603595 /nfs/dbraw/zinc/60/35/95/643603595.db2.gz YJSIYYVJQWLGFZ-UHFFFAOYSA-N 1 0 232.327 2.301 20 30 BEEDRO C[NH+](C)[C@@H](CNCc1csc(C#N)c1)C1CC1 ZINC000921556150 643605862 /nfs/dbraw/zinc/60/58/62/643605862.db2.gz IGZAFEROEYTIQE-ZDUSSCGKSA-N 1 0 249.383 2.050 20 30 BEEDRO CC(=[NH+]N[C@@H](C)CC#N)c1ccc(N(C)C)cc1 ZINC000771881216 643608986 /nfs/dbraw/zinc/60/89/86/643608986.db2.gz QGZIRIOTUBXHDN-NSHDSACASA-N 1 0 244.342 2.368 20 30 BEEDRO N#Cc1cc(C[NH2+]CCc2nccs2)cs1 ZINC000921627384 643633320 /nfs/dbraw/zinc/63/33/20/643633320.db2.gz HTXUERLUHGGMKV-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](N(CC)C(C)=O)CC1 ZINC000997892671 643667691 /nfs/dbraw/zinc/66/76/91/643667691.db2.gz QFKIKPCREKXPJG-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2C=CCC2)C1 ZINC000971041384 643683691 /nfs/dbraw/zinc/68/36/91/643683691.db2.gz LVNWSNCYLONSIQ-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2C=CCC2)C1 ZINC000971041382 643684506 /nfs/dbraw/zinc/68/45/06/643684506.db2.gz LVNWSNCYLONSIQ-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)CCC)C1 ZINC000998389850 643703257 /nfs/dbraw/zinc/70/32/57/643703257.db2.gz PDDUZNGNROJYSV-NSHDSACASA-N 1 0 244.766 2.120 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC000998408695 643704707 /nfs/dbraw/zinc/70/47/07/643704707.db2.gz VKQNUIVPEXUZQC-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000998540571 643712567 /nfs/dbraw/zinc/71/25/67/643712567.db2.gz ZGNSANNLESWHKL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)CC(C)(C)C)C1 ZINC000998540562 643712644 /nfs/dbraw/zinc/71/26/44/643712644.db2.gz ZGNSANNLESWHKL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC000998852442 643725466 /nfs/dbraw/zinc/72/54/66/643725466.db2.gz LABMUAOFWLOJFQ-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921683387 643736053 /nfs/dbraw/zinc/73/60/53/643736053.db2.gz MJKQLKVLOXZKFS-UHFFFAOYSA-N 1 0 232.331 2.392 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001000091826 643749213 /nfs/dbraw/zinc/74/92/13/643749213.db2.gz JUEVDXUKZZQAJZ-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)CCO ZINC000921761276 643775669 /nfs/dbraw/zinc/77/56/69/643775669.db2.gz FFFIKBFDNYCTNP-GFCCVEGCSA-N 1 0 232.327 2.036 20 30 BEEDRO COC[C@@H]([NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921781573 643783215 /nfs/dbraw/zinc/78/32/15/643783215.db2.gz JPWTXNQQBLYHCX-GFCCVEGCSA-N 1 0 238.356 2.380 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001000754827 643797313 /nfs/dbraw/zinc/79/73/13/643797313.db2.gz SVOAQFXHTRLJQL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(CCO)C[NH2+]Cc1csc(C#N)c1 ZINC000921803852 643798095 /nfs/dbraw/zinc/79/80/95/643798095.db2.gz ZAYNLFAXXHESDK-UHFFFAOYSA-N 1 0 238.356 2.118 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000921836667 643805563 /nfs/dbraw/zinc/80/55/63/643805563.db2.gz CZOAGIRAZVFQQV-UHFFFAOYSA-N 1 0 244.294 2.427 20 30 BEEDRO CC[C@H](O)CC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921850205 643808574 /nfs/dbraw/zinc/80/85/74/643808574.db2.gz FBDQQOBJAZWBEC-AWEZNQCLSA-N 1 0 246.354 2.426 20 30 BEEDRO COC[C@H]([NH2+]Cc1csc(C#N)c1)C1CC1 ZINC000921922174 643826333 /nfs/dbraw/zinc/82/63/33/643826333.db2.gz PGWWVISHZUZPOO-LBPRGKRZSA-N 1 0 236.340 2.134 20 30 BEEDRO CS[C@@H](C)C[NH2+]Cc1csc(C#N)c1 ZINC000921924732 643826843 /nfs/dbraw/zinc/82/68/43/643826843.db2.gz MQKCGXCHIPIHMV-QMMMGPOBSA-N 1 0 226.370 2.461 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000921992918 643839757 /nfs/dbraw/zinc/83/97/57/643839757.db2.gz CEKPGNMZPXZDDA-IJLUTSLNSA-N 1 0 229.389 2.187 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@@H]2CCCC[C@@H]12 ZINC000929259553 643842653 /nfs/dbraw/zinc/84/26/53/643842653.db2.gz GOXMNRVGFVYYHR-YIYPIFLZSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CCCCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922006381 643842941 /nfs/dbraw/zinc/84/29/41/643842941.db2.gz HNRKQPQOFRVILA-UHFFFAOYSA-N 1 0 206.289 2.233 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnn(CCF)c1 ZINC000922091681 643859766 /nfs/dbraw/zinc/85/97/66/643859766.db2.gz LCLZKQQSLVVGJY-LBPRGKRZSA-N 1 0 225.311 2.297 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(Cl)n[nH]c1CC ZINC000922115331 643864581 /nfs/dbraw/zinc/86/45/81/643864581.db2.gz UKZHKSFGHLLSKW-UHFFFAOYSA-N 1 0 213.712 2.291 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc2[nH]c(=O)oc21 ZINC000922116192 643864971 /nfs/dbraw/zinc/86/49/71/643864971.db2.gz YTIYJUZLMOFKAK-UHFFFAOYSA-N 1 0 218.256 2.199 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922123258 643865747 /nfs/dbraw/zinc/86/57/47/643865747.db2.gz RMVQMFJGPOLDOR-GZMMTYOYSA-N 1 0 238.381 2.461 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1csc(C#N)c1 ZINC000922137623 643869919 /nfs/dbraw/zinc/86/99/19/643869919.db2.gz CVLWIUSNTBMPIA-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccnn1C1CCC1 ZINC000922166281 643886147 /nfs/dbraw/zinc/88/61/47/643886147.db2.gz CJSAJFCKCYFKDS-GFCCVEGCSA-N 1 0 249.358 2.025 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2CC[C@@H](C#N)C2)cs1 ZINC000922196961 643899987 /nfs/dbraw/zinc/89/99/87/643899987.db2.gz CWJXSDGQAQXEKB-KOLCDFICSA-N 1 0 231.324 2.402 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000922214995 643906054 /nfs/dbraw/zinc/90/60/54/643906054.db2.gz LTFDQBKYGFSFGY-OCCSQVGLSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CCC[NH2+]Cc1ccnn1C1CCC1 ZINC000922240011 643915837 /nfs/dbraw/zinc/91/58/37/643915837.db2.gz ZSBVQAXRXKXRDL-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2COC3(CCC3)C2)cs1 ZINC000922245221 643917858 /nfs/dbraw/zinc/91/78/58/643917858.db2.gz VTQPITZWTAZYML-NSHDSACASA-N 1 0 248.351 2.421 20 30 BEEDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1csc(C#N)c1 ZINC000922285985 643952424 /nfs/dbraw/zinc/95/24/24/643952424.db2.gz GVPAGZKMRAKVOF-GXFFZTMASA-N 1 0 248.351 2.277 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1csc(C#N)c1 ZINC000922299873 643959945 /nfs/dbraw/zinc/95/99/45/643959945.db2.gz SYGWKKYDLZCRNY-GFCCVEGCSA-N 1 0 248.351 2.138 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCN(C)[C@H]2C)ccc1C#N ZINC000922556536 644026331 /nfs/dbraw/zinc/02/63/31/644026331.db2.gz DNDIFNQBHUZLIB-SWLSCSKDSA-N 1 0 243.354 2.049 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000922642994 644049662 /nfs/dbraw/zinc/04/96/62/644049662.db2.gz KQWWMQNBQJWGJF-DOMZBBRYSA-N 1 0 247.338 2.376 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000922642997 644049936 /nfs/dbraw/zinc/04/99/36/644049936.db2.gz KQWWMQNBQJWGJF-WFASDCNBSA-N 1 0 247.338 2.376 20 30 BEEDRO Cc1ccc(C[NH2+]Cc2ccn(C)c2)cc1C#N ZINC000922759008 644089992 /nfs/dbraw/zinc/08/99/92/644089992.db2.gz IZXCHGBLECKOEY-UHFFFAOYSA-N 1 0 239.322 2.495 20 30 BEEDRO CCC[C@@H](O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000922826182 644102777 /nfs/dbraw/zinc/10/27/77/644102777.db2.gz WKMKXALNHZLVQP-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO CCC[C@@H](O)CC[NH2+]Cc1csc(C#N)c1 ZINC000922819549 644108363 /nfs/dbraw/zinc/10/83/63/644108363.db2.gz YLYOPCJCJXENMU-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO CCC[C@@H](O)CC[NH2+]CC(C)(C)CCC#N ZINC000922820946 644110759 /nfs/dbraw/zinc/11/07/59/644110759.db2.gz NAELTPXCNBZYMP-GFCCVEGCSA-N 1 0 226.364 2.457 20 30 BEEDRO CSCCCCCNC(=[NH2+])NCC(C)C ZINC000187051451 644204897 /nfs/dbraw/zinc/20/48/97/644204897.db2.gz REAZTVULZRRNGJ-UHFFFAOYSA-N 1 0 231.409 2.080 20 30 BEEDRO C#CCC1([NH2+]Cc2ccnn2CC2CC2)CCC1 ZINC000922999941 644219078 /nfs/dbraw/zinc/21/90/78/644219078.db2.gz WUNKNDYGBBPKNA-UHFFFAOYSA-N 1 0 243.354 2.329 20 30 BEEDRO C#CCC1([NH2+]Cc2cncs2)CCC1 ZINC000922998494 644223084 /nfs/dbraw/zinc/22/30/84/644223084.db2.gz VFJIMLJZTTXIMB-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO C#CCC1([NH2+]Cc2cc(C)no2)CCC1 ZINC000922998679 644223606 /nfs/dbraw/zinc/22/36/06/644223606.db2.gz LIAIPQPZHIREMG-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CCC1([NH2+]Cc2oc(C)nc2C)CCC1 ZINC000922998394 644224287 /nfs/dbraw/zinc/22/42/87/644224287.db2.gz UGFLTUKLJGGYDA-UHFFFAOYSA-N 1 0 218.300 2.327 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(CO)cc2)CCC1 ZINC000922999080 644224451 /nfs/dbraw/zinc/22/44/51/644224451.db2.gz OTSCIIVLFHOAAA-UHFFFAOYSA-N 1 0 229.323 2.215 20 30 BEEDRO C#CCC1([NH2+]Cc2ccncc2)CCC1 ZINC000923001870 644225968 /nfs/dbraw/zinc/22/59/68/644225968.db2.gz XFTVEDKBUMBNFO-UHFFFAOYSA-N 1 0 200.285 2.117 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)o1 ZINC000923029596 644240875 /nfs/dbraw/zinc/24/08/75/644240875.db2.gz IUIMRGBLLHZFDZ-CYBMUJFWSA-N 1 0 246.310 2.343 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)o1 ZINC000923029598 644241410 /nfs/dbraw/zinc/24/14/10/644241410.db2.gz IUIMRGBLLHZFDZ-ZDUSSCGKSA-N 1 0 246.310 2.343 20 30 BEEDRO CCCCCCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193626717 644261687 /nfs/dbraw/zinc/26/16/87/644261687.db2.gz FOJJVOKXRDAUEF-VXGBXAGGSA-N 1 0 226.364 2.071 20 30 BEEDRO CCCCCCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193626742 644261948 /nfs/dbraw/zinc/26/19/48/644261948.db2.gz FOJJVOKXRDAUEF-NWDGAFQWSA-N 1 0 226.364 2.071 20 30 BEEDRO CCCNC(=[NH2+])NCC(C)(C)CC(C)C ZINC000081524708 644327783 /nfs/dbraw/zinc/32/77/83/644327783.db2.gz NQFQYPGDRVTVNA-UHFFFAOYSA-N 1 0 213.369 2.373 20 30 BEEDRO COCC[C@H](C)[NH2+]CC#Cc1ccccc1 ZINC000081711760 644340727 /nfs/dbraw/zinc/34/07/27/644340727.db2.gz ZIEDYBFMGUMBLI-ZDUSSCGKSA-N 1 0 217.312 2.053 20 30 BEEDRO Cc1nc(CON=C(N)C2CCCC2)oc1C ZINC000195478073 644392228 /nfs/dbraw/zinc/39/22/28/644392228.db2.gz GZOXOQCKIFHPGY-UHFFFAOYSA-N 1 0 237.303 2.270 20 30 BEEDRO C=CC[NH+]1CCC(N(C)C(=O)C(C)(C)C)CC1 ZINC001006324664 644532511 /nfs/dbraw/zinc/53/25/11/644532511.db2.gz AFIUFLLNBVDJQT-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO Fc1ccc(/C=C/C=[NH+]n2cnnc2)c(F)c1 ZINC000758069880 644633751 /nfs/dbraw/zinc/63/37/51/644633751.db2.gz OBGUQJVHPKIJQM-ZMXOSTGLSA-N 1 0 234.209 2.104 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000769788268 644681985 /nfs/dbraw/zinc/68/19/85/644681985.db2.gz HPNMXKOQKHHTFM-KGLIPLIRSA-N 1 0 248.370 2.477 20 30 BEEDRO CCCCCCC[N@H+](C[C@H](C)O)[C@H](C)CO ZINC000248873884 644701125 /nfs/dbraw/zinc/70/11/25/644701125.db2.gz CBFSORRSTQXDIF-OLZOCXBDSA-N 1 0 231.380 2.020 20 30 BEEDRO CCC(C[C@@H](C)CC)=NNC1=[NH+][C@@H](C)CN1 ZINC000779798446 644715149 /nfs/dbraw/zinc/71/51/49/644715149.db2.gz CYMHVABOQFHTKN-UWVGGRQHSA-N 1 0 224.352 2.126 20 30 BEEDRO C=C(C)[C@H]1CCC(C)=C(N=NC2=[NH+]C[C@H](C)N2)C1 ZINC000779797749 644715396 /nfs/dbraw/zinc/71/53/96/644715396.db2.gz JAKJPZUOYWMGGZ-RYUDHWBXSA-N 1 0 246.358 2.212 20 30 BEEDRO C=C(C)[C@H]1CCC(C)=C(N=NC2=[NH+]C[C@@H](C)N2)C1 ZINC000779797746 644715775 /nfs/dbraw/zinc/71/57/75/644715775.db2.gz JAKJPZUOYWMGGZ-NEPJUHHUSA-N 1 0 246.358 2.212 20 30 BEEDRO CC(C[C@@H](C)CC(C)C)=NNC1=[NH+][C@@H](C)CN1 ZINC000779797885 644716019 /nfs/dbraw/zinc/71/60/19/644716019.db2.gz LJBXLHLFIXWNJM-JQWIXIFHSA-N 1 0 238.379 2.372 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@](OC)(C(F)(F)F)C1 ZINC000781985904 644736804 /nfs/dbraw/zinc/73/68/04/644736804.db2.gz QVRUQKQMLRHCKM-LLVKDONJSA-N 1 0 249.276 2.443 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)Cc1cccc(OC)n1 ZINC000783517819 644755538 /nfs/dbraw/zinc/75/55/38/644755538.db2.gz KCSRULAHSIDBEB-CYBMUJFWSA-N 1 0 246.354 2.414 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303260452 644813692 /nfs/dbraw/zinc/81/36/92/644813692.db2.gz NCLUVWCJDHQLHW-ZYHUDNBSSA-N 1 0 231.343 2.029 20 30 BEEDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000796945734 644816117 /nfs/dbraw/zinc/81/61/17/644816117.db2.gz ATZOASUCGKGNKC-UONOGXRCSA-N 1 0 229.327 2.477 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2F)C1 ZINC000303690794 644839384 /nfs/dbraw/zinc/83/93/84/644839384.db2.gz ABWXCPNKCTUEPM-NSHDSACASA-N 1 0 249.333 2.372 20 30 BEEDRO C=CCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000303709815 644840854 /nfs/dbraw/zinc/84/08/54/644840854.db2.gz OCCBFNMSSTUXEO-UHFFFAOYSA-N 1 0 203.289 2.162 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000801925559 644845688 /nfs/dbraw/zinc/84/56/88/644845688.db2.gz FFUUPCOUIPTESL-TZMCWYRMSA-N 1 0 245.326 2.147 20 30 BEEDRO CCNC(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000303788338 644846079 /nfs/dbraw/zinc/84/60/79/644846079.db2.gz UFXORBLKGAERRJ-UHFFFAOYSA-N 1 0 247.386 2.451 20 30 BEEDRO Cc1cccc(CNC(=[NH2+])N2CCCCC2)c1 ZINC000303780382 644846092 /nfs/dbraw/zinc/84/60/92/644846092.db2.gz LHLQUWZNSBEWAR-UHFFFAOYSA-N 1 0 231.343 2.296 20 30 BEEDRO CCNC(=[NH2+])NCCCC1CCCCC1 ZINC000303906821 644856454 /nfs/dbraw/zinc/85/64/54/644856454.db2.gz WLDLSCYXRANOCZ-UHFFFAOYSA-N 1 0 211.353 2.271 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303892669 644853807 /nfs/dbraw/zinc/85/38/07/644853807.db2.gz RIILPNWUSARAPO-GFCCVEGCSA-N 1 0 231.343 2.031 20 30 BEEDRO CC[C@H]([NH2+]CCO[C@@H](C)C#N)c1nccs1 ZINC000304234691 644878030 /nfs/dbraw/zinc/87/80/30/644878030.db2.gz LVHTXVHXTRILIY-UWVGGRQHSA-N 1 0 239.344 2.112 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCCC1(C)C ZINC000304234714 644879402 /nfs/dbraw/zinc/87/94/02/644879402.db2.gz LVXJMHGSAQJOCL-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CCC1(CC)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000304247680 644881633 /nfs/dbraw/zinc/88/16/33/644881633.db2.gz PXPPTQZLHJCLOP-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCSC(C)(C)CC1 ZINC000304255833 644881938 /nfs/dbraw/zinc/88/19/38/644881938.db2.gz SBSLBFYDWXRDAX-NSHDSACASA-N 1 0 242.388 2.133 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000304244601 644882427 /nfs/dbraw/zinc/88/24/27/644882427.db2.gz OVNJSNMJMFBGCV-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000304268860 644883449 /nfs/dbraw/zinc/88/34/49/644883449.db2.gz VHVPZRFXFAUHTO-JHJVBQTASA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C1CCC(C)CC1 ZINC000304281421 644886566 /nfs/dbraw/zinc/88/65/66/644886566.db2.gz XIXIIPDGQWOAPJ-CPCZMJQVSA-N 1 0 224.348 2.426 20 30 BEEDRO Cc1cnc([C@H](C)[NH2+]CCO[C@@H](C)C#N)s1 ZINC000304290742 644887386 /nfs/dbraw/zinc/88/73/86/644887386.db2.gz YXZHFAQGVBTISL-WPRPVWTQSA-N 1 0 239.344 2.031 20 30 BEEDRO CCCCC[N@H+](C[C@H](O)CC#N)C(C)C ZINC000809572124 644891194 /nfs/dbraw/zinc/89/11/94/644891194.db2.gz HXJGJQJNILMIGV-GFCCVEGCSA-N 1 0 212.337 2.162 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](C)c1cccc(C)c1 ZINC000304597601 644920444 /nfs/dbraw/zinc/92/04/44/644920444.db2.gz GBPWWGOABGFOAV-LLVKDONJSA-N 1 0 219.332 2.023 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCCCC1CC1 ZINC000304736322 644926909 /nfs/dbraw/zinc/92/69/09/644926909.db2.gz AAKQHXLWEICKQD-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO Cc1ccccc1[C@@H]1C[C@H]1NC(=[NH2+])NCC(C)C ZINC000304753688 644928903 /nfs/dbraw/zinc/92/89/03/644928903.db2.gz LGXHMSZQTPINLI-UONOGXRCSA-N 1 0 245.370 2.411 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304754107 644931458 /nfs/dbraw/zinc/93/14/58/644931458.db2.gz LOYYGLBHCITJHU-ZIAGYGMSSA-N 1 0 245.370 2.447 20 30 BEEDRO CC(C)C1(CNC(=[NH2+])N2CCC[C@H](C)C2)CC1 ZINC000304842711 644935941 /nfs/dbraw/zinc/93/59/41/644935941.db2.gz KZLDWCVXHDBFGU-LBPRGKRZSA-N 1 0 237.391 2.469 20 30 BEEDRO CCOc1ccc(N=NC2C[N@H+](C)C[C@@H]2C)cc1 ZINC000814984071 644947656 /nfs/dbraw/zinc/94/76/56/644947656.db2.gz SVOHSBJXIZRTFM-NSHDSACASA-N 1 0 247.342 2.435 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000815058355 644948524 /nfs/dbraw/zinc/94/85/24/644948524.db2.gz ZGJYTXRFNYPHBD-CQSZACIVSA-N 1 0 230.311 2.364 20 30 BEEDRO N#CCC[NH2+]CCCSc1nccs1 ZINC000819063462 645003984 /nfs/dbraw/zinc/00/39/84/645003984.db2.gz NDMSUYJUNZTLSK-UHFFFAOYSA-N 1 0 227.358 2.129 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H]2CC)cc1 ZINC000824636820 645057030 /nfs/dbraw/zinc/05/70/30/645057030.db2.gz TZLCLRMKUWLJCN-HZPDHXFCSA-N 1 0 243.350 2.261 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CSCCF)C(C)C ZINC000825878664 645063927 /nfs/dbraw/zinc/06/39/27/645063927.db2.gz VDKGNVQQPBUZCA-QWRGUYRKSA-N 1 0 217.353 2.325 20 30 BEEDRO Cc1cccc(C[N@@H+]2CC[C@](C)(C#N)C2)c1O ZINC000827651070 645083310 /nfs/dbraw/zinc/08/33/10/645083310.db2.gz ZFOTVLGAIFYEGZ-CQSZACIVSA-N 1 0 230.311 2.436 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000829809891 645111207 /nfs/dbraw/zinc/11/12/07/645111207.db2.gz JRYOQBFBYKKZEA-CHWSQXEVSA-N 1 0 204.317 2.414 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2nccc(C)n2)C1 ZINC000829803698 645111273 /nfs/dbraw/zinc/11/12/73/645111273.db2.gz APXQMUSCQBTQSX-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000829804565 645112171 /nfs/dbraw/zinc/11/21/71/645112171.db2.gz JDHHJDPQOUJHAU-AWEZNQCLSA-N 1 0 231.343 2.009 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCn2ccnc2C)C1 ZINC000829804568 645112216 /nfs/dbraw/zinc/11/22/16/645112216.db2.gz JDWYXRUWZIZPFY-OAHLLOKOSA-N 1 0 245.370 2.317 20 30 BEEDRO C#CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000830311885 645118034 /nfs/dbraw/zinc/11/80/34/645118034.db2.gz ZCLWPNUZLOFASZ-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnn2C(C)C)CC1 ZINC000830345567 645120551 /nfs/dbraw/zinc/12/05/51/645120551.db2.gz IVFHOMXMAYIYKD-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC1CC[NH+](CCc2c(C)noc2C)CC1 ZINC000830345481 645121121 /nfs/dbraw/zinc/12/11/21/645121121.db2.gz FJNXBGRNDCMTFU-UHFFFAOYSA-N 1 0 232.327 2.179 20 30 BEEDRO C#CCN[NH+]=Cc1ccc(N(CC)CC)cc1 ZINC000835007046 645160885 /nfs/dbraw/zinc/16/08/85/645160885.db2.gz IQEOLCOAWZJIMT-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO Cc1ccc(CN=NC2C[C@H](C)[N@@H+](C)C2)cc1 ZINC000835009304 645161849 /nfs/dbraw/zinc/16/18/49/645161849.db2.gz TZNVZJLXOFVZGY-LBPRGKRZSA-N 1 0 231.343 2.165 20 30 BEEDRO Clc1cccc2c1CC(=[NH+]n1cnnc1)CC2 ZINC000841603253 645219329 /nfs/dbraw/zinc/21/93/29/645219329.db2.gz GVAMHXXYKMFUCB-UHFFFAOYSA-N 1 0 246.701 2.325 20 30 BEEDRO CCCCCCCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000841864536 645234361 /nfs/dbraw/zinc/23/43/61/645234361.db2.gz OJESQTOTUMJYET-LBPRGKRZSA-N 1 0 241.379 2.090 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926518459 645248887 /nfs/dbraw/zinc/24/88/87/645248887.db2.gz IWNZTWCNSCUFHG-SNVBAGLBSA-N 1 0 206.289 2.404 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926518458 645249954 /nfs/dbraw/zinc/24/99/54/645249954.db2.gz IWNZTWCNSCUFHG-JTQLQIEISA-N 1 0 206.289 2.404 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(F)(F)CC1)[C@H]1CCCO1 ZINC000842869562 645255085 /nfs/dbraw/zinc/25/50/85/645255085.db2.gz IHBBGVIIADPTMS-VXGBXAGGSA-N 1 0 243.297 2.335 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926549174 645272321 /nfs/dbraw/zinc/27/23/21/645272321.db2.gz FNCMAFBFVWKVKG-NSHDSACASA-N 1 0 222.336 2.476 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)C(C)(C)CO)c1 ZINC000926550564 645273555 /nfs/dbraw/zinc/27/35/55/645273555.db2.gz NZAKIXBSPMTMEQ-GFCCVEGCSA-N 1 0 231.339 2.165 20 30 BEEDRO C[C@H]1CC2(CC([NH2+]CC(C)(C)CC#N)C2)CO1 ZINC000926568289 645287541 /nfs/dbraw/zinc/28/75/41/645287541.db2.gz LGXMCUGUEHFTHN-DCBWTQNWSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](C[C@H]2CCSC2)C1 ZINC000843422060 645289356 /nfs/dbraw/zinc/28/93/56/645289356.db2.gz BLPWNDVLCFUJGM-QWHCGFSZSA-N 1 0 223.385 2.475 20 30 BEEDRO C[C@H]1COC[C@H](C)C1[NH2+]CC(C)(C)CC#N ZINC000926569330 645289658 /nfs/dbraw/zinc/28/96/58/645289658.db2.gz QEUPADXMCZHSJO-QWRGUYRKSA-N 1 0 224.348 2.187 20 30 BEEDRO C#CC1CC[NH+](Cc2ccncc2C)CC1 ZINC000843426716 645291911 /nfs/dbraw/zinc/29/19/11/645291911.db2.gz HTHXAKLKCAGXOI-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC1CC[NH+](Cc2cccc(O)c2OC)CC1 ZINC000843426737 645291963 /nfs/dbraw/zinc/29/19/63/645291963.db2.gz IQNWFYQBTWEYRG-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO CC(C)[C@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000926623168 645320108 /nfs/dbraw/zinc/32/01/08/645320108.db2.gz BTMLBLZGBRTURF-OLZOCXBDSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844441846 645333194 /nfs/dbraw/zinc/33/31/94/645333194.db2.gz USSQPMPGCDPZBZ-WDEREUQCSA-N 1 0 231.286 2.045 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCC1(OC)OC ZINC000926665496 645345447 /nfs/dbraw/zinc/34/54/47/645345447.db2.gz FXWWSWULHMLNKQ-LBPRGKRZSA-N 1 0 227.348 2.474 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)C(C)(C)CO ZINC000926679841 645353436 /nfs/dbraw/zinc/35/34/36/645353436.db2.gz HKBXXBCGUCFLDA-LBPRGKRZSA-N 1 0 246.354 2.097 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cn2c(n1)CCCC2 ZINC000926685027 645355710 /nfs/dbraw/zinc/35/57/10/645355710.db2.gz JWKSEERASIRCNB-LLVKDONJSA-N 1 0 219.332 2.446 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)Cc1ccccn1 ZINC000926701921 645368280 /nfs/dbraw/zinc/36/82/80/645368280.db2.gz CNVNQGZDQCIOJE-CYBMUJFWSA-N 1 0 234.343 2.195 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926710484 645375874 /nfs/dbraw/zinc/37/58/74/645375874.db2.gz JZRGVASKOGINOC-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]CC2(C#N)CCCCC2)[C@@H]1C ZINC000926712354 645375917 /nfs/dbraw/zinc/37/59/17/645375917.db2.gz MDIARCMGHNCWLW-AGIUHOORSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H]1COC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926712388 645376036 /nfs/dbraw/zinc/37/60/36/645376036.db2.gz MMAWKWJHVNFGRT-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO Cc1cncc(CC[NH2+][C@H](C)CC(C)(C)C#N)n1 ZINC000926714057 645379453 /nfs/dbraw/zinc/37/94/53/645379453.db2.gz YPYSEVLQRDMJFP-LLVKDONJSA-N 1 0 246.358 2.246 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC000845928390 645387172 /nfs/dbraw/zinc/38/71/72/645387172.db2.gz MERBXFYARSYUHQ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(=O)N(CC)CC)C1 ZINC000845928387 645387652 /nfs/dbraw/zinc/38/76/52/645387652.db2.gz MERBXFYARSYUHQ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000846047501 645395145 /nfs/dbraw/zinc/39/51/45/645395145.db2.gz ZJYSBSBADICGEN-RWMBFGLXSA-N 1 0 238.375 2.365 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000847017731 645416598 /nfs/dbraw/zinc/41/65/98/645416598.db2.gz DCYVAUNAQRJBRZ-DZGCQCFKSA-N 1 0 229.323 2.065 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCC2(OC)CCC2)C1 ZINC000847020128 645416791 /nfs/dbraw/zinc/41/67/91/645416791.db2.gz WBOHKKLPHJQUJH-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@@H](C)c1cnnn1C ZINC000926780502 645427044 /nfs/dbraw/zinc/42/70/44/645427044.db2.gz CHQHTAXFPGOMQD-NSHDSACASA-N 1 0 236.363 2.458 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CC2CCC1CC2 ZINC000926865663 645464096 /nfs/dbraw/zinc/46/40/96/645464096.db2.gz SGXFBZQFTAQXFV-CLRIEMFWSA-N 1 0 223.360 2.482 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(C#N)CC1 ZINC000926872768 645465660 /nfs/dbraw/zinc/46/56/60/645465660.db2.gz AGLYBBCBTHBSMB-JTQLQIEISA-N 1 0 205.305 2.208 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926875150 645468901 /nfs/dbraw/zinc/46/89/01/645468901.db2.gz WBTJLTGELDXXGA-QWHCGFSZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000926874770 645469027 /nfs/dbraw/zinc/46/90/27/645469027.db2.gz SMQWZXKJUSRMBZ-VXGBXAGGSA-N 1 0 224.348 2.187 20 30 BEEDRO C#CC1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000852205077 645474116 /nfs/dbraw/zinc/47/41/16/645474116.db2.gz ICRXXNJNHNSRQR-GASCZTMLSA-N 1 0 248.414 2.310 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852216570 645476239 /nfs/dbraw/zinc/47/62/39/645476239.db2.gz HIGHFIFWHZRHRM-YIYPIFLZSA-N 1 0 203.329 2.378 20 30 BEEDRO C=C(Cl)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852460107 645482894 /nfs/dbraw/zinc/48/28/94/645482894.db2.gz KHYXYDQWPADEIX-PHIMTYICSA-N 1 0 215.724 2.097 20 30 BEEDRO Cc1cc(CC[NH2+][C@@H](C)CC(C)(C)C#N)nn1C ZINC000926909126 645486576 /nfs/dbraw/zinc/48/65/76/645486576.db2.gz IAOMKLXXYIMKCB-NSHDSACASA-N 1 0 248.374 2.189 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926938057 645492229 /nfs/dbraw/zinc/49/22/29/645492229.db2.gz VJWZRLRFZPPNFX-FQUUOJAGSA-N 1 0 248.370 2.495 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926980361 645505832 /nfs/dbraw/zinc/50/58/32/645505832.db2.gz PWHSXLZQKROQEM-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1ccc(NCC[NH2+][C@@H]2CC[C@H](C#N)C2)nc1 ZINC000927072211 645536704 /nfs/dbraw/zinc/53/67/04/645536704.db2.gz ZGPIIOLVQKBTCZ-QWHCGFSZSA-N 1 0 244.342 2.084 20 30 BEEDRO CCc1onc(C)c1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000927135753 645563953 /nfs/dbraw/zinc/56/39/53/645563953.db2.gz UFJJFDSJMOXTKL-GHMZBOCLSA-N 1 0 233.315 2.327 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CCc2nnn(C)c2C1 ZINC000927154585 645578544 /nfs/dbraw/zinc/57/85/44/645578544.db2.gz ZLCNTNJYZPRGPQ-RYUDHWBXSA-N 1 0 248.374 2.007 20 30 BEEDRO CC1(C)CC([NH2+]CCNc2ccc(C#N)cn2)C1 ZINC000927163512 645581168 /nfs/dbraw/zinc/58/11/68/645581168.db2.gz KSCIMLBYAFOTOU-UHFFFAOYSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927164749 645581224 /nfs/dbraw/zinc/58/12/24/645581224.db2.gz MIJWBVYIAAEOKW-YPMHNXCESA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)C(C)(C)C ZINC000863553272 645703883 /nfs/dbraw/zinc/70/38/83/645703883.db2.gz YKDVNXWNLLDRNR-RYUDHWBXSA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)[C@@H]1CC1(F)F ZINC000877459802 645796714 /nfs/dbraw/zinc/79/67/14/645796714.db2.gz MMLJAPPEHKCWIO-KWQFWETISA-N 1 0 237.253 2.087 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](OC)[C@H](C)CC)CC1 ZINC000877606424 645801071 /nfs/dbraw/zinc/80/10/71/645801071.db2.gz ARLSTHIZKSTNCQ-TZMCWYRMSA-N 1 0 223.360 2.393 20 30 BEEDRO CSC(C)(C)CC[NH+]1CC(CC#N)C1 ZINC000877625953 645802881 /nfs/dbraw/zinc/80/28/81/645802881.db2.gz VOIRGOXYKZUABU-UHFFFAOYSA-N 1 0 212.362 2.364 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000877650078 645806925 /nfs/dbraw/zinc/80/69/25/645806925.db2.gz NEBIKCOIVUEJRJ-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000878575111 645819046 /nfs/dbraw/zinc/81/90/46/645819046.db2.gz XBHWVKDQHXYXSL-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(SCC)c1 ZINC000883124268 645848189 /nfs/dbraw/zinc/84/81/89/645848189.db2.gz BYGBCRVUYXJCGR-ZDUSSCGKSA-N 1 0 249.379 2.272 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCOC(C)(C)C)C1 ZINC000886355372 645885411 /nfs/dbraw/zinc/88/54/11/645885411.db2.gz HKZXQRCHZTUJEN-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO N#Cc1cnccc1C[NH2+]C1(C2CC2)CCC1 ZINC000887148774 645894791 /nfs/dbraw/zinc/89/47/91/645894791.db2.gz VKWJDIQYZNPDPF-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO CC[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000035055475 645903844 /nfs/dbraw/zinc/90/38/44/645903844.db2.gz GUZQYKZAQKJFKL-NSHDSACASA-N 1 0 218.300 2.477 20 30 BEEDRO C=C1CC(C)(c2noc(C3(C[NH+](C)C)CC3)n2)C1 ZINC000924124799 645987468 /nfs/dbraw/zinc/98/74/68/645987468.db2.gz KRZAWJNYQGYXDU-UHFFFAOYSA-N 1 0 247.342 2.271 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCCC[NH+](CC)CC ZINC000929220510 646019935 /nfs/dbraw/zinc/01/99/35/646019935.db2.gz UYQPQEKGLLSPSJ-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCCC[C@@H]2CO)CC1 ZINC000929268855 646048916 /nfs/dbraw/zinc/04/89/16/646048916.db2.gz SHZJKPCIMASCPP-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[N@@H+](CC[S@@](=O)C(F)(F)F)C(C)C ZINC000929292054 646064168 /nfs/dbraw/zinc/06/41/68/646064168.db2.gz GNRRTUUWJORUOI-OAHLLOKOSA-N 1 0 243.294 2.151 20 30 BEEDRO C=CC[N@@H+](CC[S@](=O)C(F)(F)F)C(C)C ZINC000929292053 646064687 /nfs/dbraw/zinc/06/46/87/646064687.db2.gz GNRRTUUWJORUOI-HNNXBMFYSA-N 1 0 243.294 2.151 20 30 BEEDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1cccc(C#N)c1 ZINC000924639249 646082975 /nfs/dbraw/zinc/08/29/75/646082975.db2.gz LDMCSOHLZZKHHP-RYUDHWBXSA-N 1 0 244.338 2.319 20 30 BEEDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000924639248 646084423 /nfs/dbraw/zinc/08/44/23/646084423.db2.gz LDMCSOHLZZKHHP-JYAVWHMHSA-N 1 0 244.338 2.319 20 30 BEEDRO CC[N@H+](CCOC)CC1CCC(C#N)CC1 ZINC000929341108 646087262 /nfs/dbraw/zinc/08/72/62/646087262.db2.gz LDYOOPUGFYNTOH-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C#Cc1ccc(NC(=O)CC[N@@H+](C)CCC)cc1 ZINC000929413776 646111891 /nfs/dbraw/zinc/11/18/91/646111891.db2.gz XRHVNVFUOAPQPB-UHFFFAOYSA-N 1 0 244.338 2.338 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC(C)(C)C[NH+](C)C ZINC000929459468 646121671 /nfs/dbraw/zinc/12/16/71/646121671.db2.gz QIDYCAPSKRRESI-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925161649 646196820 /nfs/dbraw/zinc/19/68/20/646196820.db2.gz QCXDJZKLBJIVBP-STQMWFEESA-N 1 0 209.333 2.051 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000925159767 646197968 /nfs/dbraw/zinc/19/79/68/646197968.db2.gz IKRPVJMKVLWBBB-CHWSQXEVSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cccc2c1OCO2 ZINC000925159053 646197992 /nfs/dbraw/zinc/19/79/92/646197992.db2.gz FHHCATYORGWTFH-NSHDSACASA-N 1 0 231.295 2.479 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)C(C)(C)CO ZINC000929674617 646234409 /nfs/dbraw/zinc/23/44/09/646234409.db2.gz ONLHGAXHEBJFIZ-UHFFFAOYSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+](C)CC[C@@H](C)O ZINC000929716262 646269474 /nfs/dbraw/zinc/26/94/74/646269474.db2.gz OSDCMSQBNOEIHR-CYBMUJFWSA-N 1 0 246.354 2.378 20 30 BEEDRO N#CC[C@@H](O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000929722019 646274986 /nfs/dbraw/zinc/27/49/86/646274986.db2.gz DQWAELMUKDDWKU-CQSZACIVSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000925527421 646312592 /nfs/dbraw/zinc/31/25/92/646312592.db2.gz QQICPSQESPPQDI-LBPRGKRZSA-N 1 0 234.347 2.313 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCCC2(CCC2)O1 ZINC000929787612 646317974 /nfs/dbraw/zinc/31/79/74/646317974.db2.gz LQQPYTOUHMPCTD-ZDUSSCGKSA-N 1 0 221.344 2.433 20 30 BEEDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)CC#N ZINC000929813280 646333280 /nfs/dbraw/zinc/33/32/80/646333280.db2.gz QKIQLPADAOJWMP-BPLDGKMQSA-N 1 0 244.338 2.139 20 30 BEEDRO C=CCSCCN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925590531 646349603 /nfs/dbraw/zinc/34/96/03/646349603.db2.gz JEQOAIAUJNWTRX-GFCCVEGCSA-N 1 0 240.416 2.170 20 30 BEEDRO C[C@@H](N)[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607461 646356693 /nfs/dbraw/zinc/35/66/93/646356693.db2.gz BNJLAUHLRNAUNO-TZMCWYRMSA-N 1 0 231.343 2.358 20 30 BEEDRO C[C@H](N)[C@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607459 646356755 /nfs/dbraw/zinc/35/67/55/646356755.db2.gz BNJLAUHLRNAUNO-JSGCOSHPSA-N 1 0 231.343 2.358 20 30 BEEDRO C[C@H](N)[C@@H]([NH2+]CCCCC#N)c1ccccc1 ZINC000925607458 646357913 /nfs/dbraw/zinc/35/79/13/646357913.db2.gz BNJLAUHLRNAUNO-GXTWGEPZSA-N 1 0 231.343 2.358 20 30 BEEDRO C=CCCOCCN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925625176 646371762 /nfs/dbraw/zinc/37/17/62/646371762.db2.gz GKCXMMCYLRBGPI-HIFRSBDPSA-N 1 0 248.370 2.257 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)Cc1ccccn1 ZINC000925628511 646373409 /nfs/dbraw/zinc/37/34/09/646373409.db2.gz HWKGLNGEVZKYOW-CYBMUJFWSA-N 1 0 234.343 2.195 20 30 BEEDRO C=C(CN[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000925636200 646380776 /nfs/dbraw/zinc/38/07/76/646380776.db2.gz RRDRDNAZQPXIKB-HIFRSBDPSA-N 1 0 230.355 2.430 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000925772340 646472797 /nfs/dbraw/zinc/47/27/97/646472797.db2.gz RHSMWAYNUNFRCM-DFBGVHRSSA-N 1 0 246.354 2.048 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)C(C(C)C)C(C)C ZINC000925978602 646551544 /nfs/dbraw/zinc/55/15/44/646551544.db2.gz FMXQRUOKUOFSLF-GFCCVEGCSA-N 1 0 240.391 2.195 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000926116220 646576482 /nfs/dbraw/zinc/57/64/82/646576482.db2.gz QCFPDNMEJQYHSM-LLVKDONJSA-N 1 0 249.310 2.269 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cn2c(n1)CCCC2 ZINC000926117571 646577550 /nfs/dbraw/zinc/57/75/50/646577550.db2.gz YOLDWVJKDCNUIH-LBPRGKRZSA-N 1 0 249.358 2.073 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000926117041 646577664 /nfs/dbraw/zinc/57/76/64/646577664.db2.gz VOHGOTWNJCDDNI-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CCCC#N ZINC000926131245 646581446 /nfs/dbraw/zinc/58/14/46/646581446.db2.gz CXGIYYSCTRUZKE-NWDGAFQWSA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1COC(C)(C)OC1 ZINC000926162720 646587025 /nfs/dbraw/zinc/58/70/25/646587025.db2.gz YCKKHTFDGUQUBX-JTQLQIEISA-N 1 0 240.347 2.056 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1COC(C)(C)OC1 ZINC000926162721 646587840 /nfs/dbraw/zinc/58/78/40/646587840.db2.gz YCKKHTFDGUQUBX-SNVBAGLBSA-N 1 0 240.347 2.056 20 30 BEEDRO CSC1CC([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000926202055 646594627 /nfs/dbraw/zinc/59/46/27/646594627.db2.gz IVKSIIAFHSZIAO-NKVNRFPTSA-N 1 0 210.346 2.162 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(C1)CCCC2)[C@H]1CCCO1 ZINC000926212611 646596075 /nfs/dbraw/zinc/59/60/75/646596075.db2.gz YDSSMCCZXRQCEK-ZIAGYGMSSA-N 1 0 233.355 2.480 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cn1)C1(Cl)CC1 ZINC000926229367 646600744 /nfs/dbraw/zinc/60/07/44/646600744.db2.gz VUWQJAAHWUKXPP-VIFPVBQESA-N 1 0 235.718 2.203 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cn(C(C)C)nn1 ZINC000926323722 646616351 /nfs/dbraw/zinc/61/63/51/646616351.db2.gz KVWJTWVUPIZVLH-NSHDSACASA-N 1 0 222.336 2.476 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H](CO)CC1CCC1 ZINC000926337114 646619395 /nfs/dbraw/zinc/61/93/95/646619395.db2.gz ITXZIFNQROLIGN-AAEUAGOBSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)C1(Cl)CC1 ZINC000926342694 646620267 /nfs/dbraw/zinc/62/02/67/646620267.db2.gz BKBWTIHWGIYJIX-VIFPVBQESA-N 1 0 212.724 2.430 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC1 ZINC000926344243 646621851 /nfs/dbraw/zinc/62/18/51/646621851.db2.gz JPBAUFFDTUNFBY-ZIAGYGMSSA-N 1 0 247.386 2.287 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccnnc1 ZINC000926349995 646623621 /nfs/dbraw/zinc/62/36/21/646623621.db2.gz FRKCQFBXHZCWQG-JQWIXIFHSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1nonc1C ZINC000926523451 646658892 /nfs/dbraw/zinc/65/88/92/646658892.db2.gz YURAHTRJRVDCKB-MRVPVSSYSA-N 1 0 209.293 2.241 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934767906 711602994 /nfs/dbraw/zinc/60/29/94/711602994.db2.gz APWBOVICLMGTNL-UPJWGTAASA-N 1 0 223.385 2.473 20 30 BEEDRO N#CCCCC[NH2+][C@H](CCO)C1CCCC1 ZINC000725112893 711652152 /nfs/dbraw/zinc/65/21/52/711652152.db2.gz OAIFPKVYBUQNAD-CYBMUJFWSA-N 1 0 224.348 2.211 20 30 BEEDRO CC[C@H](C)C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721613956 711670887 /nfs/dbraw/zinc/67/08/87/711670887.db2.gz DZMQVNYDROZCNC-NSHDSACASA-N 1 0 217.316 2.431 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C1CCN(OC)CC1 ZINC000398199224 711709136 /nfs/dbraw/zinc/70/91/36/711709136.db2.gz VGDKFAXTXSKQCC-GFCCVEGCSA-N 1 0 226.364 2.347 20 30 BEEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000721863211 711791999 /nfs/dbraw/zinc/79/19/99/711791999.db2.gz UHWJVMLOBUQATJ-VXGBXAGGSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)[C@H](C)CC)CC1 ZINC000989968218 711799046 /nfs/dbraw/zinc/79/90/46/711799046.db2.gz SMCKUWPRWIHRKH-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCC[NH2+]Cc1ccccc1OC ZINC000160677445 711809261 /nfs/dbraw/zinc/80/92/61/711809261.db2.gz BKRDBKKQCCDVAC-UHFFFAOYSA-N 1 0 203.285 2.198 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(OC)cc1 ZINC000160675879 711809328 /nfs/dbraw/zinc/80/93/28/711809328.db2.gz JPJLYNZLHGRMSC-UHFFFAOYSA-N 1 0 203.285 2.198 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000166727346 711827499 /nfs/dbraw/zinc/82/74/99/711827499.db2.gz JSXFISDHUFNYSQ-VXGBXAGGSA-N 1 0 207.317 2.090 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(CO)cc1)C(C)(C)C ZINC000702286817 712044771 /nfs/dbraw/zinc/04/47/71/712044771.db2.gz ZZXZKHAPKTUVLB-CQSZACIVSA-N 1 0 231.339 2.316 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCC(C)(O)CC1 ZINC000703018448 712064912 /nfs/dbraw/zinc/06/49/12/712064912.db2.gz VKBIPBKYVPEAMT-UHFFFAOYSA-N 1 0 211.349 2.482 20 30 BEEDRO CCCCCCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000703756368 712085199 /nfs/dbraw/zinc/08/51/99/712085199.db2.gz LTVIYWVAUYDBFX-CYBMUJFWSA-N 1 0 226.364 2.073 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCSC2)o1 ZINC000704896396 712120909 /nfs/dbraw/zinc/12/09/09/712120909.db2.gz JHROYAGDWKDHOW-SNVBAGLBSA-N 1 0 236.340 2.384 20 30 BEEDRO C=CCOCCC[NH2+]C1CC(SC)C1 ZINC000706898610 712159657 /nfs/dbraw/zinc/15/96/57/712159657.db2.gz PMFAFONDSLNSKZ-UHFFFAOYSA-N 1 0 215.362 2.063 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000708344207 712189116 /nfs/dbraw/zinc/18/91/16/712189116.db2.gz DFJYZEROJKAYPV-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO Cc1nccn1CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000709991026 712238054 /nfs/dbraw/zinc/23/80/54/712238054.db2.gz PVGFKCSSNZHDNM-LLVKDONJSA-N 1 0 234.347 2.110 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709972769 712236201 /nfs/dbraw/zinc/23/62/01/712236201.db2.gz SLNAWWLZCXUALR-NWDGAFQWSA-N 1 0 226.364 2.169 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000710198586 712248448 /nfs/dbraw/zinc/24/84/48/712248448.db2.gz FFDXKYFQRZLNNF-LLVKDONJSA-N 1 0 226.364 2.071 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H]1CCC1(OC)OC ZINC000710968463 712270582 /nfs/dbraw/zinc/27/05/82/712270582.db2.gz DQORMWKZDXUHNF-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711838224 712332793 /nfs/dbraw/zinc/33/27/93/712332793.db2.gz BMBALSSBGKYDMV-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711896190 712338066 /nfs/dbraw/zinc/33/80/66/712338066.db2.gz OVDYDOZYOWSIQI-OLZOCXBDSA-N 1 0 236.359 2.331 20 30 BEEDRO C#CCCC[NH2+]Cc1ccsc1C(=O)OC ZINC000378687078 712357303 /nfs/dbraw/zinc/35/73/03/712357303.db2.gz WPOALYWCRRUJOD-UHFFFAOYSA-N 1 0 237.324 2.038 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(OC)ccc1F ZINC000378751474 712358908 /nfs/dbraw/zinc/35/89/08/712358908.db2.gz VBWBLHOSWQXUGC-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cn[nH]c2)CC1 ZINC000724451996 712392702 /nfs/dbraw/zinc/39/27/02/712392702.db2.gz CHBQLBKPGHOLSH-UHFFFAOYSA-N 1 0 205.305 2.246 20 30 BEEDRO CC[C@@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000379777880 712398811 /nfs/dbraw/zinc/39/88/11/712398811.db2.gz AWMZWNNPPOJJQY-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000390507144 712419653 /nfs/dbraw/zinc/41/96/53/712419653.db2.gz XQZYBMRMEUABQN-LBPRGKRZSA-N 1 0 219.332 2.183 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000715045566 712504743 /nfs/dbraw/zinc/50/47/43/712504743.db2.gz HIGJBJZWLGPMCH-RVMXOQNASA-N 1 0 209.333 2.044 20 30 BEEDRO C=CC[C@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000715058087 712505032 /nfs/dbraw/zinc/50/50/32/712505032.db2.gz MMBRXVIQCFUPEN-AAEUAGOBSA-N 1 0 216.328 2.341 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715904109 712541111 /nfs/dbraw/zinc/54/11/11/712541111.db2.gz UQGGIOXKVVCZIC-JTQLQIEISA-N 1 0 222.336 2.068 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(F)c1F ZINC000716855245 712578860 /nfs/dbraw/zinc/57/88/60/712578860.db2.gz IFAYTQBCCVJNRU-NSHDSACASA-N 1 0 239.265 2.093 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(C)c1 ZINC000716928565 712596478 /nfs/dbraw/zinc/59/64/78/712596478.db2.gz KWOSIJRYFWADCO-AWEZNQCLSA-N 1 0 217.312 2.123 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CCC[C@H](C)C1 ZINC000716929996 712596485 /nfs/dbraw/zinc/59/64/85/712596485.db2.gz WLMFSMNVJGEQOK-BFHYXJOUSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000716928831 712596577 /nfs/dbraw/zinc/59/65/77/712596577.db2.gz OOJLIXSIUQQZIA-RWMBFGLXSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(Cl)c1 ZINC000716937017 712597767 /nfs/dbraw/zinc/59/77/67/712597767.db2.gz SJKUINRFFPOXIR-ZDUSSCGKSA-N 1 0 237.730 2.468 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CCCCC(C)C ZINC000716958249 712600290 /nfs/dbraw/zinc/60/02/90/712600290.db2.gz QRPIMZDSQAUPPJ-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000379855700 712617147 /nfs/dbraw/zinc/61/71/47/712617147.db2.gz BYNIFZLKORBYBN-HTQZYQBOSA-N 1 0 243.656 2.438 20 30 BEEDRO C=CCCC[NH2+]Cc1c(Cl)c(C)nn1C ZINC000379902913 712622629 /nfs/dbraw/zinc/62/26/29/712622629.db2.gz GOAYGKLMHGWKCC-UHFFFAOYSA-N 1 0 227.739 2.438 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000717840269 712686990 /nfs/dbraw/zinc/68/69/90/712686990.db2.gz FTSZBSFAVHQGDT-CHWSQXEVSA-N 1 0 223.360 2.319 20 30 BEEDRO CC[C@H](C)N[NH+]=C(C)c1ccc(N)cc1 ZINC000389677801 712689926 /nfs/dbraw/zinc/68/99/26/712689926.db2.gz CYOQAGDLQQCGKC-VIFPVBQESA-N 1 0 205.305 2.381 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](CC)CCC)[C@H]1CCCO1 ZINC000389895680 712690831 /nfs/dbraw/zinc/69/08/31/712690831.db2.gz YRPXBRYQGYTVBH-RWMBFGLXSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cnccc1C ZINC000380214054 712727213 /nfs/dbraw/zinc/72/72/13/712727213.db2.gz HRJGDJDACFHCEN-LBPRGKRZSA-N 1 0 202.301 2.454 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000718846560 712786051 /nfs/dbraw/zinc/78/60/51/712786051.db2.gz YXJRQTMQIIECJH-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CSCC1CC[NH+](CCCC#N)CC1 ZINC000719291247 712803431 /nfs/dbraw/zinc/80/34/31/712803431.db2.gz HVLKLGHRXOTQAB-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000720433302 712842302 /nfs/dbraw/zinc/84/23/02/712842302.db2.gz PNXFCICQIHJMIL-CABCVRRESA-N 1 0 234.387 2.349 20 30 BEEDRO N#CCCC[NH2+][C@H](CCO)c1cccs1 ZINC000380329394 712886659 /nfs/dbraw/zinc/88/66/59/712886659.db2.gz NOXKSQDTJZEBLH-SNVBAGLBSA-N 1 0 224.329 2.065 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721165407 712893550 /nfs/dbraw/zinc/89/35/50/712893550.db2.gz DMQXXHIMZFHFEQ-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)C(C)(C)C ZINC001731870313 1166466892 /nfs/dbraw/zinc/46/68/92/1166466892.db2.gz AATBRDAVMFGSHB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCC1CCCCC1 ZINC000238446894 1166880376 /nfs/dbraw/zinc/88/03/76/1166880376.db2.gz XBXJTHYAITUKNA-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1 ZINC001038014043 712898376 /nfs/dbraw/zinc/89/83/76/712898376.db2.gz OFSXNKBKMWZZEC-CQSZACIVSA-N 1 0 244.338 2.067 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000384123525 710617319 /nfs/dbraw/zinc/61/73/19/710617319.db2.gz ALWWPZTVHMATFE-AWEZNQCLSA-N 1 0 212.296 2.450 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC1(CC#N)CC1 ZINC000381485874 710644909 /nfs/dbraw/zinc/64/49/09/710644909.db2.gz VIJWFCHFYOLCJJ-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000381531896 710651242 /nfs/dbraw/zinc/65/12/42/710651242.db2.gz ZKLKKEJVBKXRBC-JTQLQIEISA-N 1 0 231.324 2.045 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc(C)oc1C ZINC000381541850 710652676 /nfs/dbraw/zinc/65/26/76/710652676.db2.gz IGPVJACGEYGKGN-LBPRGKRZSA-N 1 0 223.316 2.171 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721616729 710683524 /nfs/dbraw/zinc/68/35/24/710683524.db2.gz ZNSAWNLJKTXUGE-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO COC[C@H](C[N@@H+]1CC[C@@](C)(C#N)C1)C(C)C ZINC000721743307 710684411 /nfs/dbraw/zinc/68/44/11/710684411.db2.gz CENXGQRNOKODAF-STQMWFEESA-N 1 0 224.348 2.141 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cnc2n1CCOC2 ZINC000722836151 710722263 /nfs/dbraw/zinc/72/22/63/710722263.db2.gz SSLMGPJQMDTVDY-UHFFFAOYSA-N 1 0 249.358 2.105 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC1 ZINC001039320997 710724355 /nfs/dbraw/zinc/72/43/55/710724355.db2.gz FJYOFOAYQAUGGF-KGLIPLIRSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC ZINC001039315884 710725180 /nfs/dbraw/zinc/72/51/80/710725180.db2.gz NWXMHALAHIDBJU-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000723821635 710732974 /nfs/dbraw/zinc/73/29/74/710732974.db2.gz CAORBRKYBBYKBE-UPJWGTAASA-N 1 0 224.348 2.283 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(CSC)cc1 ZINC000725076256 710754390 /nfs/dbraw/zinc/75/43/90/710754390.db2.gz GAMIGFXWARNULG-AWEZNQCLSA-N 1 0 249.379 2.023 20 30 BEEDRO C#CCN(C)CCC[NH2+]C(CCC)CCC ZINC000382025040 710767318 /nfs/dbraw/zinc/76/73/18/710767318.db2.gz RPWWAZQWJKCHCS-UHFFFAOYSA-N 1 0 224.392 2.500 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC000384191577 710813231 /nfs/dbraw/zinc/81/32/31/710813231.db2.gz HISGDXLXXLCOTI-FZMZJTMJSA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000384191576 710813510 /nfs/dbraw/zinc/81/35/10/710813510.db2.gz HISGDXLXXLCOTI-BXUZGUMPSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)C)[C@@H](C)C1 ZINC001044423406 710826690 /nfs/dbraw/zinc/82/66/90/710826690.db2.gz VUHOXYMHASWZHL-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@H](C)C1 ZINC001044469183 710827359 /nfs/dbraw/zinc/82/73/59/710827359.db2.gz CAPATODDGNHJPM-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)[C@@H](C)C1 ZINC001044522642 710828112 /nfs/dbraw/zinc/82/81/12/710828112.db2.gz JNMDMKQBDFDOBE-XFUXEANSSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2ccco2)C1 ZINC001046099111 710848868 /nfs/dbraw/zinc/84/88/68/710848868.db2.gz GMZGAYLJQOUSRC-AWEZNQCLSA-N 1 0 248.326 2.050 20 30 BEEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCO[C@@H](C)C#N ZINC000384274815 710850351 /nfs/dbraw/zinc/85/03/51/710850351.db2.gz BVNDCCPGJUMYHP-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)C2=CCCC2)C1 ZINC001046239877 710857648 /nfs/dbraw/zinc/85/76/48/710857648.db2.gz NPLRLHGVUQUDIU-HNNXBMFYSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC1 ZINC001049274039 710898485 /nfs/dbraw/zinc/89/84/85/710898485.db2.gz SCXHHBXGLCJCAL-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)CC(C)C)C[C@@H]1C ZINC001054342977 710930313 /nfs/dbraw/zinc/93/03/13/710930313.db2.gz JUTWDWODAJJYPX-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C=C2CCC2)C[C@H]1C ZINC001054549823 710938547 /nfs/dbraw/zinc/93/85/47/710938547.db2.gz CCRPZSAJBXQWGC-TZMCWYRMSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)CC)C[C@H]1C ZINC001055026840 710944260 /nfs/dbraw/zinc/94/42/60/710944260.db2.gz QMOFAZNGPSSENC-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H](CC(C)(C)O)[NH2+]CC#Cc1ccccc1 ZINC000384860767 710998432 /nfs/dbraw/zinc/99/84/32/710998432.db2.gz MUUHDZZNVKORIC-ZDUSSCGKSA-N 1 0 231.339 2.177 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccco2)CC1 ZINC001052158040 710962254 /nfs/dbraw/zinc/96/22/54/710962254.db2.gz FQJZLWQFEHFNHF-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000383060838 710975882 /nfs/dbraw/zinc/97/58/82/710975882.db2.gz NHYYMYZXEVFUFT-SOUVJXGZSA-N 1 0 236.403 2.356 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1cccnc1 ZINC000384147101 710989947 /nfs/dbraw/zinc/98/99/47/710989947.db2.gz FVYJXXFGZBMGJW-ZDUSSCGKSA-N 1 0 202.301 2.016 20 30 BEEDRO CCCCCCCCNC1=[NH+]CCCN1 ZINC000386408803 711029106 /nfs/dbraw/zinc/02/91/06/711029106.db2.gz ICOGSYHAHUTRSN-UHFFFAOYSA-N 1 0 211.353 2.286 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(Cl)c(C)nn1C ZINC000386718282 711035756 /nfs/dbraw/zinc/03/57/56/711035756.db2.gz RHNRRTINPPOUSG-UHFFFAOYSA-N 1 0 227.739 2.438 20 30 BEEDRO C=C(C)CC[NH2+]Cc1nc(Br)c[nH]1 ZINC000386823266 711036574 /nfs/dbraw/zinc/03/65/74/711036574.db2.gz GOCRPEHXKNMNHL-UHFFFAOYSA-N 1 0 244.136 2.228 20 30 BEEDRO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000386966596 711038684 /nfs/dbraw/zinc/03/86/84/711038684.db2.gz FOLZXOHVLFMONQ-GRYCIOLGSA-N 1 0 248.326 2.009 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000389410873 711078210 /nfs/dbraw/zinc/07/82/10/711078210.db2.gz PAFIKVGXVXFLMV-UTUOFQBUSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC000389410871 711078859 /nfs/dbraw/zinc/07/88/59/711078859.db2.gz PAFIKVGXVXFLMV-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000389587599 711081364 /nfs/dbraw/zinc/08/13/64/711081364.db2.gz AAWZQRUXRMUUBZ-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C(C)C)[C@H]1CCCO1 ZINC000390146560 711106641 /nfs/dbraw/zinc/10/66/41/711106641.db2.gz RGTYUINBLVEVPA-XJFOESAGSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC12CCC2)[C@@H]1CCCO1 ZINC000390157133 711107402 /nfs/dbraw/zinc/10/74/02/711107402.db2.gz XFLIVTGKJYBWFS-AVGNSLFASA-N 1 0 219.328 2.090 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)C(C)(C)C)[C@@H]1CCCO1 ZINC000390169239 711107481 /nfs/dbraw/zinc/10/74/81/711107481.db2.gz GJFDHIGTYGZSRV-AGIUHOORSA-N 1 0 223.360 2.439 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCOC1CCC1 ZINC000390260701 711110305 /nfs/dbraw/zinc/11/03/05/711110305.db2.gz NUJIXMVPIAADAS-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO C#CCCC[NH2+][C@](C)(CO)C1CCCCC1 ZINC000390422917 711115812 /nfs/dbraw/zinc/11/58/12/711115812.db2.gz KWIHGXZDKNCBGX-CQSZACIVSA-N 1 0 223.360 2.321 20 30 BEEDRO N#CCCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000393556215 711164656 /nfs/dbraw/zinc/16/46/56/711164656.db2.gz SWSTTXRXLHNSAA-MRVPVSSYSA-N 1 0 221.131 2.464 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](OC)[C@H](C)CC ZINC000394425438 711191286 /nfs/dbraw/zinc/19/12/86/711191286.db2.gz BNBUPIRQVQCHSW-SCZZXKLOSA-N 1 0 205.729 2.390 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000395166637 711203265 /nfs/dbraw/zinc/20/32/65/711203265.db2.gz XCTNUIMPMBCGAL-WCQYABFASA-N 1 0 209.333 2.336 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000395179207 711205357 /nfs/dbraw/zinc/20/53/57/711205357.db2.gz QAPGXLNKGLPVAZ-ZDUSSCGKSA-N 1 0 232.283 2.486 20 30 BEEDRO CCNC(NCc1cscc1C)=[NH+]CC ZINC000395597249 711213354 /nfs/dbraw/zinc/21/33/54/711213354.db2.gz OQIHQIMORALHEQ-UHFFFAOYSA-N 1 0 225.361 2.132 20 30 BEEDRO CC(C)[C@@H]1CCCC[N@@H+]1CCO[C@H](C)C#N ZINC000395768846 711214823 /nfs/dbraw/zinc/21/48/23/711214823.db2.gz FUIGVNNGVHAYAH-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCOC(F)(F)F ZINC000398322144 711408435 /nfs/dbraw/zinc/40/84/35/711408435.db2.gz ZTAIBUIIBRVYSC-QMMMGPOBSA-N 1 0 224.226 2.195 20 30 BEEDRO C#CCCC[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000398821048 711416331 /nfs/dbraw/zinc/41/63/31/711416331.db2.gz DDLIKKKJJJJPCH-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000383681416 710597884 /nfs/dbraw/zinc/59/78/84/710597884.db2.gz QVNWFVQVUPBBRV-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000381279884 710616063 /nfs/dbraw/zinc/61/60/63/710616063.db2.gz XVWKGMPRXGCDMJ-STQMWFEESA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CC1CCOCC1)C(C)C ZINC000381451021 710638910 /nfs/dbraw/zinc/63/89/10/710638910.db2.gz GWKKUGLFJALYDJ-TZMCWYRMSA-N 1 0 223.360 2.439 20 30 BEEDRO C=C(C)C[NH2+][C@H](CCO)c1cccs1 ZINC000381630500 710664233 /nfs/dbraw/zinc/66/42/33/710664233.db2.gz SUDQTLUXKAJMED-SNVBAGLBSA-N 1 0 211.330 2.337 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CO[C@H](C)C2)CC1 ZINC000724587146 710742666 /nfs/dbraw/zinc/74/26/66/710742666.db2.gz ZAKDCFAXJVJOLU-DGCLKSJQSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(CC)CC)C[C@@H]1C ZINC001054382328 710933086 /nfs/dbraw/zinc/93/30/86/710933086.db2.gz HCDXUTKHWBIUIC-AAEUAGOBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000385952554 711020624 /nfs/dbraw/zinc/02/06/24/711020624.db2.gz DAFAUMULTNDFJU-NSHDSACASA-N 1 0 217.740 2.270 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000392448845 711146396 /nfs/dbraw/zinc/14/63/96/711146396.db2.gz FQJFVITVCGFOEB-DTWKUNHWSA-N 1 0 208.309 2.118 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392448846 711146849 /nfs/dbraw/zinc/14/68/49/711146849.db2.gz FQJFVITVCGFOEB-IUCAKERBSA-N 1 0 208.309 2.118 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000392448844 711147771 /nfs/dbraw/zinc/14/77/71/711147771.db2.gz FQJFVITVCGFOEB-BDAKNGLRSA-N 1 0 208.309 2.118 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)c2ccoc2)CC[C@H]1C ZINC001071347691 711188958 /nfs/dbraw/zinc/18/89/58/711188958.db2.gz PEAYOJXXRMQTKL-DGCLKSJQSA-N 1 0 248.326 2.048 20 30 BEEDRO C=C(C)C[N@@H+]1CCC2(CN(C(=O)C=C(C)C)C2)C1 ZINC001072419172 711370498 /nfs/dbraw/zinc/37/04/98/711370498.db2.gz SNSAQMPYVFFLFD-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCc1ccncc1C ZINC000397535292 711385835 /nfs/dbraw/zinc/38/58/35/711385835.db2.gz OWQLQKNYBKOZQA-CQSZACIVSA-N 1 0 216.328 2.324 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000397786533 711391493 /nfs/dbraw/zinc/39/14/93/711391493.db2.gz YJLPEPCBZQPZON-KGLIPLIRSA-N 1 0 236.403 2.356 20 30 BEEDRO C=CCSCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308355103 711517026 /nfs/dbraw/zinc/51/70/26/711517026.db2.gz YHCAZBGIGZIJAZ-NWDGAFQWSA-N 1 0 241.400 2.453 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C(C)C ZINC000723642885 711529400 /nfs/dbraw/zinc/52/94/00/711529400.db2.gz BEJPDNKAQBSUCZ-XQLPTFJDSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C(C)C ZINC000723642884 711529403 /nfs/dbraw/zinc/52/94/03/711529403.db2.gz BEJPDNKAQBSUCZ-TUVASFSCSA-N 1 0 235.371 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C(C)C ZINC000723642886 711529498 /nfs/dbraw/zinc/52/94/98/711529498.db2.gz BEJPDNKAQBSUCZ-YJNKXOJESA-N 1 0 235.371 2.439 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723965355 711548441 /nfs/dbraw/zinc/54/84/41/711548441.db2.gz PEKUTNCSABVEMI-QWHCGFSZSA-N 1 0 236.359 2.331 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)[C@@H]1CCCOC1 ZINC000723977889 711550396 /nfs/dbraw/zinc/55/03/96/711550396.db2.gz YJHIVLYBOWLWMK-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)CC1 ZINC000723995883 711551961 /nfs/dbraw/zinc/55/19/61/711551961.db2.gz RPYAOJMFLRCSGE-KGLIPLIRSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723995879 711552250 /nfs/dbraw/zinc/55/22/50/711552250.db2.gz RPYAOJMFLRCSGE-KBPBESRZSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CCC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000724026242 711556764 /nfs/dbraw/zinc/55/67/64/711556764.db2.gz XRAALJLUDJHPIZ-SSDOTTSWSA-N 1 0 247.207 2.101 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1cccc(C#N)c1F ZINC000724158397 711565512 /nfs/dbraw/zinc/56/55/12/711565512.db2.gz OCMGWPFYDODAMD-STQMWFEESA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000724157048 711565522 /nfs/dbraw/zinc/56/55/22/711565522.db2.gz LEESXFDLJLHLHY-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2ncc[nH]2)CC1 ZINC000724486832 711584434 /nfs/dbraw/zinc/58/44/34/711584434.db2.gz XOYIUXDACJLUEB-UHFFFAOYSA-N 1 0 205.305 2.246 20 30 BEEDRO C=CC[C@@H]1CCN1[C@@H](C)c1nc(CC)no1 ZINC000934469383 711587402 /nfs/dbraw/zinc/58/74/02/711587402.db2.gz BOEKZGCPNSDCSK-VHSXEESVSA-N 1 0 221.304 2.343 20 30 BEEDRO C=C1CCC(C[NH2+]CC2(C)COC2)CC1 ZINC000724549207 711589249 /nfs/dbraw/zinc/58/92/49/711589249.db2.gz MEHZAUUOZZZSRN-UHFFFAOYSA-N 1 0 209.333 2.359 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000724550489 711589887 /nfs/dbraw/zinc/58/98/87/711589887.db2.gz WSTHJYFOKYVKIT-AAEUAGOBSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC(C2CC2)CC1 ZINC000724834409 711616946 /nfs/dbraw/zinc/61/69/46/711616946.db2.gz JIKJOVFORMVKFY-LLVKDONJSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721523708 711617410 /nfs/dbraw/zinc/61/74/10/711617410.db2.gz UICGYMPGCGUTKN-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721523706 711617881 /nfs/dbraw/zinc/61/78/81/711617881.db2.gz UICGYMPGCGUTKN-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](CC)CCCC ZINC000717793819 711623216 /nfs/dbraw/zinc/62/32/16/711623216.db2.gz HYASUNJGBYVPHC-OLZOCXBDSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)NC(C)(C)C[NH3+] ZINC000892351681 711623914 /nfs/dbraw/zinc/62/39/14/711623914.db2.gz POFBHTPVNDREJD-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000717823941 711626066 /nfs/dbraw/zinc/62/60/66/711626066.db2.gz TZDSDQHHHBHRDK-STQMWFEESA-N 1 0 221.344 2.073 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](Cc3cncc(C#N)c3)C[C@@H]21 ZINC000721584511 711652936 /nfs/dbraw/zinc/65/29/36/711652936.db2.gz HDXAESHMBYBLBR-BETUJISGSA-N 1 0 227.311 2.041 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000926692297 711668157 /nfs/dbraw/zinc/66/81/57/711668157.db2.gz HHSVZALKIQQPTA-SRVKXCTJSA-N 1 0 224.348 2.472 20 30 BEEDRO CCCC[N@H+](C)Cc1cncc(C#N)c1 ZINC000721608010 711670451 /nfs/dbraw/zinc/67/04/51/711670451.db2.gz WUCDILBMSPBOAP-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO CC(C)CC[N@H+](C)Cc1cncc(C#N)c1 ZINC000721616209 711670963 /nfs/dbraw/zinc/67/09/63/711670963.db2.gz WCDFXJWCOSLEBS-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CCOC[C@H]([NH2+]Cc1cncc(C#N)c1)C(C)C ZINC000721615802 711671159 /nfs/dbraw/zinc/67/11/59/711671159.db2.gz UBZKCVWVMIOWFI-AWEZNQCLSA-N 1 0 247.342 2.104 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000721623746 711671674 /nfs/dbraw/zinc/67/16/74/711671674.db2.gz NRNUCRXFSRQFSV-CQSZACIVSA-N 1 0 227.311 2.185 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC=CCC1 ZINC001038046778 711676887 /nfs/dbraw/zinc/67/68/87/711676887.db2.gz WDCQSWMYZNYYQK-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](NC(=O)C=C2CCC2)C(C)(C)C1 ZINC000973021253 711677467 /nfs/dbraw/zinc/67/74/67/711677467.db2.gz ABQNIOIWZNQUDY-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCO[C@@H](C)C#N ZINC000393756741 711677649 /nfs/dbraw/zinc/67/76/49/711677649.db2.gz BNVZFATYQREQJS-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)C1(C)CC1 ZINC000393790681 711678553 /nfs/dbraw/zinc/67/85/53/711678553.db2.gz ISTFGZSSYRGJEJ-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO CCC1([NH2+]CCO[C@@H](C)C#N)CCCC1 ZINC000382540511 711679409 /nfs/dbraw/zinc/67/94/09/711679409.db2.gz CZADGTBFAYJPBY-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO CCCCCCCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000385237025 711683581 /nfs/dbraw/zinc/68/35/81/711683581.db2.gz KTFFHCPSZDJLNF-RYUDHWBXSA-N 1 0 226.364 2.295 20 30 BEEDRO C=C(C[NH2+][C@H](C)COCCOC)c1ccccc1 ZINC000892712185 711685965 /nfs/dbraw/zinc/68/59/65/711685965.db2.gz PYEOAFQRKYWBAX-CQSZACIVSA-N 1 0 249.354 2.341 20 30 BEEDRO CCC(N)=[NH+]OCCc1ccc(C#N)cc1 ZINC000853656389 711694850 /nfs/dbraw/zinc/69/48/50/711694850.db2.gz MSQDPOCSQAGYKP-UHFFFAOYSA-N 1 0 217.272 2.009 20 30 BEEDRO C=C(CC)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000909387397 711731737 /nfs/dbraw/zinc/73/17/37/711731737.db2.gz ONWLVMWFZNIXNB-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000722330407 711738355 /nfs/dbraw/zinc/73/83/55/711738355.db2.gz JEOFZRFRARXLKJ-UPJWGTAASA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000893606130 711745300 /nfs/dbraw/zinc/74/53/00/711745300.db2.gz NASMSVCDHRUYNK-OPRDCNLKSA-N 1 0 245.164 2.442 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(OC)c(OC)c1C ZINC000897166992 711784587 /nfs/dbraw/zinc/78/45/87/711784587.db2.gz GSMINXNDSRRLNJ-UHFFFAOYSA-N 1 0 247.338 2.467 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1c(C)noc1C ZINC000305088609 711785953 /nfs/dbraw/zinc/78/59/53/711785953.db2.gz OUYILCBUNDKQIY-GFCCVEGCSA-N 1 0 238.331 2.050 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC000987833664 711792488 /nfs/dbraw/zinc/79/24/88/711792488.db2.gz MHSSGXAIVFMCEJ-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[C@H]1CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000897628786 711798354 /nfs/dbraw/zinc/79/83/54/711798354.db2.gz CHPIZOIBBZNIGX-WCBMZHEXSA-N 1 0 221.329 2.293 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C(CC)CC)CC1 ZINC000989975002 711799182 /nfs/dbraw/zinc/79/91/82/711799182.db2.gz IBJCDPPFQYYCEE-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CCO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000721263767 711804947 /nfs/dbraw/zinc/80/49/47/711804947.db2.gz VXCLXPNEADNSFW-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCN[NH+]=C(C)c1ccc(N)cc1C ZINC000379805379 711811889 /nfs/dbraw/zinc/81/18/89/711811889.db2.gz NQRSOWQAXQININ-UHFFFAOYSA-N 1 0 203.289 2.077 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCOC2(CCCCC2)C1 ZINC000166704476 711827373 /nfs/dbraw/zinc/82/73/73/711827373.db2.gz KLORSAKYMYPDCK-OLZOCXBDSA-N 1 0 221.344 2.480 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cnccc1C ZINC000384146424 711828089 /nfs/dbraw/zinc/82/80/89/711828089.db2.gz FSJJKXLSXIHNFC-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)CCO1 ZINC000225801741 711829705 /nfs/dbraw/zinc/82/97/05/711829705.db2.gz MFLYSRLIOPYTGS-DZGCQCFKSA-N 1 0 229.323 2.195 20 30 BEEDRO CC[N@H+](CCC#N)C[C@H](COC)C(C)C ZINC000721732406 711831230 /nfs/dbraw/zinc/83/12/30/711831230.db2.gz DAJNHHGGYQYQCT-GFCCVEGCSA-N 1 0 212.337 2.141 20 30 BEEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CCCCC#N ZINC000151703877 711849722 /nfs/dbraw/zinc/84/97/22/711849722.db2.gz LNTNZRIYTRTURK-LBPRGKRZSA-N 1 0 226.320 2.002 20 30 BEEDRO CC[C@](C)(CC(=O)OC)[NH2+]CCCCC#N ZINC000151703948 711849725 /nfs/dbraw/zinc/84/97/25/711849725.db2.gz LNTNZRIYTRTURK-GFCCVEGCSA-N 1 0 226.320 2.002 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C2=CCCC2)CC1(C)C ZINC000995680176 711908261 /nfs/dbraw/zinc/90/82/61/711908261.db2.gz YTRKXYFKVGUBRV-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C=C ZINC001032563210 711926275 /nfs/dbraw/zinc/92/62/75/711926275.db2.gz RKYFSQXVVOREKX-STQMWFEESA-N 1 0 248.370 2.060 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](O)C(C)C ZINC000921750171 711938623 /nfs/dbraw/zinc/93/86/23/711938623.db2.gz OOITYRKDSKXDQY-HNNXBMFYSA-N 1 0 246.354 2.282 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2csc(C#N)c2)CCCO1 ZINC000921830479 711943692 /nfs/dbraw/zinc/94/36/92/711943692.db2.gz NKUANMNVIUWLDE-LBPRGKRZSA-N 1 0 236.340 2.278 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@@H](C)CCCO ZINC000921832652 711944421 /nfs/dbraw/zinc/94/44/21/711944421.db2.gz NKUYEJGFEUSNTD-ZDUSSCGKSA-N 1 0 246.354 2.426 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CCC2)[C@@H]2CCCO[C@@H]21 ZINC000451480189 711950341 /nfs/dbraw/zinc/95/03/41/711950341.db2.gz PNLIIIXUBLIJMV-XQQFMLRXSA-N 1 0 248.370 2.473 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000922215676 711960115 /nfs/dbraw/zinc/96/01/15/711960115.db2.gz DUOMNMBSELERIQ-JHJVBQTASA-N 1 0 241.400 2.025 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccoc2)C1 ZINC001032907086 711966597 /nfs/dbraw/zinc/96/65/97/711966597.db2.gz UHSWUZKDGWIRCT-ZDUSSCGKSA-N 1 0 248.326 2.002 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC001032907615 711967269 /nfs/dbraw/zinc/96/72/69/711967269.db2.gz WEDXUDCGGGAURK-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC(=C)C2)C1 ZINC001033398177 711988730 /nfs/dbraw/zinc/98/87/30/711988730.db2.gz HCGDFVOPNZWTRC-ZDUSSCGKSA-N 1 0 248.370 2.061 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C=CCC2)s1 ZINC000700566676 711996679 /nfs/dbraw/zinc/99/66/79/711996679.db2.gz WRVBXUUDYOEVKA-VIFPVBQESA-N 1 0 204.298 2.428 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1C#N ZINC000701817450 712030095 /nfs/dbraw/zinc/03/00/95/712030095.db2.gz KLTSWLSZJUWAPS-AWEZNQCLSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1C#N ZINC000701817455 712030419 /nfs/dbraw/zinc/03/04/19/712030419.db2.gz KLTSWLSZJUWAPS-CQSZACIVSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1ccc(C[NH2+]CC2CC2)cc1C#N ZINC000701835550 712030900 /nfs/dbraw/zinc/03/09/00/712030900.db2.gz XAYLAHRWCJXOTB-UHFFFAOYSA-N 1 0 200.285 2.366 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701872120 712030904 /nfs/dbraw/zinc/03/09/04/712030904.db2.gz PLJQAHCLYOAPPI-GFCCVEGCSA-N 1 0 232.327 2.381 20 30 BEEDRO COC[C@H](C)C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701871127 712031003 /nfs/dbraw/zinc/03/10/03/712031003.db2.gz BFXXVQRVMXYURC-LLVKDONJSA-N 1 0 232.327 2.239 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1nc(C)cs1 ZINC000701941104 712032761 /nfs/dbraw/zinc/03/27/61/712032761.db2.gz UVYWPJPKZMSQKW-SNVBAGLBSA-N 1 0 240.397 2.469 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](OC)C1CC1)C(C)(C)C ZINC000702307448 712044189 /nfs/dbraw/zinc/04/41/89/712044189.db2.gz PSHRUNOKBVFDEF-RYUDHWBXSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]CCC1CCOCC1)C(C)(C)C ZINC000702272904 712044314 /nfs/dbraw/zinc/04/43/14/712044314.db2.gz OBJSFWVBHOKEHK-CYBMUJFWSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cn(C)nc1CC)C(C)(C)C ZINC000702281879 712044654 /nfs/dbraw/zinc/04/46/54/712044654.db2.gz KULRBVKUDXKPOU-ZDUSSCGKSA-N 1 0 233.359 2.120 20 30 BEEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2=CCCC2)cc1 ZINC000702326012 712047210 /nfs/dbraw/zinc/04/72/10/712047210.db2.gz ZWFMLRJVHBTVOA-OAHLLOKOSA-N 1 0 242.322 2.292 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)C1(Cl)CC1 ZINC000702340155 712047681 /nfs/dbraw/zinc/04/76/81/712047681.db2.gz XGZJFXHVHRPDIJ-SNVBAGLBSA-N 1 0 217.740 2.329 20 30 BEEDRO CC1(O)CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000702972716 712062562 /nfs/dbraw/zinc/06/25/62/712062562.db2.gz ODDOLXQUFQNFPF-UHFFFAOYSA-N 1 0 244.338 2.341 20 30 BEEDRO CC1(O)CCC([NH2+][C@H]2CCCC[C@@H]2C#N)CC1 ZINC000703551105 712078729 /nfs/dbraw/zinc/07/87/29/712078729.db2.gz WCTBZQPLCVKPDZ-ZIHBUVQPSA-N 1 0 236.359 2.352 20 30 BEEDRO CC1(O)CCC([NH2+][C@H]2CCCC[C@H]2C#N)CC1 ZINC000703551102 712078857 /nfs/dbraw/zinc/07/88/57/712078857.db2.gz WCTBZQPLCVKPDZ-AHPWVWPOSA-N 1 0 236.359 2.352 20 30 BEEDRO C=CC[C@@H]1CCCN(C[C@H]2CCC[NH2+]2)C1 ZINC000703639277 712082206 /nfs/dbraw/zinc/08/22/06/712082206.db2.gz GAMDGOBXMRKZAM-CHWSQXEVSA-N 1 0 208.349 2.027 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H](C)C1 ZINC000703698105 712083948 /nfs/dbraw/zinc/08/39/48/712083948.db2.gz KHQHGJXZIROVQI-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCC[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000703719303 712084538 /nfs/dbraw/zinc/08/45/38/712084538.db2.gz MOCBWVVLOIJGMY-UHFFFAOYSA-N 1 0 223.703 2.462 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000703756393 712085129 /nfs/dbraw/zinc/08/51/29/712085129.db2.gz LZYAJFQHPBCROL-NEPJUHHUSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000703751455 712085327 /nfs/dbraw/zinc/08/53/27/712085327.db2.gz CJVCLSHMJIKDRV-WDEREUQCSA-N 1 0 214.353 2.056 20 30 BEEDRO CCCCCCCNC(=O)[C@H]([NH3+])CC(C)C ZINC000703757541 712085945 /nfs/dbraw/zinc/08/59/45/712085945.db2.gz UZBAZPKBELJQGJ-GFCCVEGCSA-N 1 0 228.380 2.446 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(Cl)cn1 ZINC000703905135 712093576 /nfs/dbraw/zinc/09/35/76/712093576.db2.gz FVIUYULHHRJNCY-UHFFFAOYSA-N 1 0 240.759 2.191 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnc(C)c1)C(C)C ZINC000705905280 712138869 /nfs/dbraw/zinc/13/88/69/712138869.db2.gz MULJDLACYHWWRA-CYBMUJFWSA-N 1 0 202.301 2.137 20 30 BEEDRO CCNC(NC[C@H]1CCCC12CC2)=[NH+]CC ZINC000706205359 712140831 /nfs/dbraw/zinc/14/08/31/712140831.db2.gz IBMYNVSLYZVCLN-LLVKDONJSA-N 1 0 223.364 2.142 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCCC12CC2 ZINC000706524894 712149034 /nfs/dbraw/zinc/14/90/34/712149034.db2.gz UYESNYIONLOPHZ-NSHDSACASA-N 1 0 209.358 2.275 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCC12CC2 ZINC000706577935 712150045 /nfs/dbraw/zinc/15/00/45/712150045.db2.gz VKOCUXNBWTYJOC-RYUDHWBXSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)C[C@@H]1C ZINC001035993668 712152623 /nfs/dbraw/zinc/15/26/23/712152623.db2.gz SLMTZZLMWKRIRS-JSGCOSHPSA-N 1 0 248.370 2.109 20 30 BEEDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H]2C)ccc1C#N ZINC000706786900 712155445 /nfs/dbraw/zinc/15/54/45/712155445.db2.gz ICUAGJDKXCLBCK-WDEREUQCSA-N 1 0 230.311 2.407 20 30 BEEDRO CC1(C)CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000706814727 712156496 /nfs/dbraw/zinc/15/64/96/712156496.db2.gz JSGGMPFTAQBFOI-ZDUSSCGKSA-N 1 0 230.311 2.076 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]CC)[C@@H](C)C1 ZINC001036144075 712158285 /nfs/dbraw/zinc/15/82/85/712158285.db2.gz RRTOKFWDVRXRGL-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1C#N ZINC000706965774 712160798 /nfs/dbraw/zinc/16/07/98/712160798.db2.gz HLIKGKBWOBZJHF-WCQYABFASA-N 1 0 228.295 2.161 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000707765674 712177523 /nfs/dbraw/zinc/17/75/23/712177523.db2.gz QNJQWNQXMMTDIH-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@@H]2CC3CCC2CC3)CC1 ZINC000708087643 712181560 /nfs/dbraw/zinc/18/15/60/712181560.db2.gz JKPYLXMHCNACDK-NRXISQOPSA-N 1 0 247.382 2.273 20 30 BEEDRO C#CC1(O)CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000708134971 712182533 /nfs/dbraw/zinc/18/25/33/712182533.db2.gz WDVOUURVAYJTSF-CQSZACIVSA-N 1 0 233.355 2.335 20 30 BEEDRO CCC[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000708389394 712192135 /nfs/dbraw/zinc/19/21/35/712192135.db2.gz QZGVJOQRRBBFCI-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(CC)c1O ZINC000709395862 712220921 /nfs/dbraw/zinc/22/09/21/712220921.db2.gz BDXFHUSBIPTPCX-CQSZACIVSA-N 1 0 249.354 2.371 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccns2)s1 ZINC000709824058 712228657 /nfs/dbraw/zinc/22/86/57/712228657.db2.gz CTWSSVNAMNQGKJ-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000710878042 712260562 /nfs/dbraw/zinc/26/05/62/712260562.db2.gz NOCOJXJYMJBSLO-HAQNSBGRSA-N 1 0 243.310 2.014 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000710620863 712264124 /nfs/dbraw/zinc/26/41/24/712264124.db2.gz NWQBXEASHCNAIA-SNVBAGLBSA-N 1 0 221.329 2.236 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]CC2(C#N)CCC2)C12CCC2 ZINC000459748813 712284563 /nfs/dbraw/zinc/28/45/63/712284563.db2.gz GUEQVASJYZXIJP-VXGBXAGGSA-N 1 0 234.343 2.227 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc(C#N)o2)OC1 ZINC000711222585 712289977 /nfs/dbraw/zinc/28/99/77/712289977.db2.gz GHUCZBRETYHCPE-GFCCVEGCSA-N 1 0 248.326 2.446 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711429537 712299458 /nfs/dbraw/zinc/29/94/58/712299458.db2.gz HJODTIVNHIBBSG-NSHDSACASA-N 1 0 218.275 2.350 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000711838225 712332742 /nfs/dbraw/zinc/33/27/42/712332742.db2.gz BMBALSSBGKYDMV-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO COC(C)(C)CC[NH2+]Cc1ccc(C#N)o1 ZINC000711821732 712333405 /nfs/dbraw/zinc/33/34/05/712333405.db2.gz TYIZDRXLCIOVAX-UHFFFAOYSA-N 1 0 222.288 2.056 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000711898012 712338834 /nfs/dbraw/zinc/33/88/34/712338834.db2.gz VVACOCWUKSPHQI-KGLIPLIRSA-N 1 0 221.344 2.195 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000378672865 712356910 /nfs/dbraw/zinc/35/69/10/712356910.db2.gz LSOYWWMDKZAEAI-IJLUTSLNSA-N 1 0 245.750 2.055 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C ZINC000383015428 712366966 /nfs/dbraw/zinc/36/69/66/712366966.db2.gz CCULCHZDTSTCSF-RRFJBIMHSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000379484860 712385620 /nfs/dbraw/zinc/38/56/20/712385620.db2.gz HTOPVHXSJSDXAP-GRYCIOLGSA-N 1 0 209.358 2.131 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCC1(C)C ZINC000379797048 712403399 /nfs/dbraw/zinc/40/33/99/712403399.db2.gz IUEWZMRPFDHJDY-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[N@H+]1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000780385224 712416591 /nfs/dbraw/zinc/41/65/91/712416591.db2.gz NJVOJCATSWNGAI-RKDXNWHRSA-N 1 0 205.223 2.282 20 30 BEEDRO N#C[C@H]1CCCN(C[C@H]2CCC3(CCC3)O2)C1 ZINC000712392211 712428780 /nfs/dbraw/zinc/42/87/80/712428780.db2.gz SZVXTZFZYXULNC-CHWSQXEVSA-N 1 0 234.343 2.324 20 30 BEEDRO N#C[C@@H]1CCCN(C[C@@H]2CCC3(CCC3)O2)C1 ZINC000712392228 712428829 /nfs/dbraw/zinc/42/88/29/712428829.db2.gz SZVXTZFZYXULNC-STQMWFEESA-N 1 0 234.343 2.324 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000712399980 712429130 /nfs/dbraw/zinc/42/91/30/712429130.db2.gz WBNXAIKLKPYNID-PHIMTYICSA-N 1 0 224.373 2.221 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CC(C)(C)CC[C@@H]1C ZINC000713055515 712452074 /nfs/dbraw/zinc/45/20/74/712452074.db2.gz ABRKKVPDFCLVMW-XQQFMLRXSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CCCCN(CCC[NH3+])CC(F)(F)F ZINC000714361297 712484083 /nfs/dbraw/zinc/48/40/83/712484083.db2.gz XCQPWSWKAYJUQV-UHFFFAOYSA-N 1 0 224.270 2.166 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000036785337 712495261 /nfs/dbraw/zinc/49/52/61/712495261.db2.gz PBSRXHZFAWLBJJ-ABAIWWIYSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000714999378 712503359 /nfs/dbraw/zinc/50/33/59/712503359.db2.gz AGSJIVJKORGWIN-LPEHRKFASA-N 1 0 236.281 2.020 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000715042666 712504559 /nfs/dbraw/zinc/50/45/59/712504559.db2.gz FCFUEMZNYQFMML-VXGBXAGGSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000715030331 712504775 /nfs/dbraw/zinc/50/47/75/712504775.db2.gz WYBHRIRFXAXUKF-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1nnc(C)s1 ZINC000715051205 712505143 /nfs/dbraw/zinc/50/51/43/712505143.db2.gz BDCZJFDXJQJTFM-YUMQZZPRSA-N 1 0 211.334 2.462 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715080096 712506553 /nfs/dbraw/zinc/50/65/53/712506553.db2.gz CJOMLMTZWGEEHZ-NSHDSACASA-N 1 0 227.348 2.330 20 30 BEEDRO N#CCc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC000715422808 712518331 /nfs/dbraw/zinc/51/83/31/712518331.db2.gz UQAGTLYTUJLNIA-BETUJISGSA-N 1 0 248.276 2.450 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715836404 712534853 /nfs/dbraw/zinc/53/48/53/712534853.db2.gz NNMBJKQBDWWEJF-NSHDSACASA-N 1 0 224.352 2.436 20 30 BEEDRO C[N@H+](CCCF)Cc1ccc(C#N)cc1F ZINC000716719529 712570828 /nfs/dbraw/zinc/57/08/28/712570828.db2.gz WSRGIVQLJRDXEQ-UHFFFAOYSA-N 1 0 224.254 2.489 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000716883890 712580069 /nfs/dbraw/zinc/58/00/69/712580069.db2.gz GKNHVZODGSYEGT-VXGBXAGGSA-N 1 0 226.364 2.455 20 30 BEEDRO C#CCON=C(C)c1ccc(-n2ccnc2)cc1 ZINC000812234791 712585762 /nfs/dbraw/zinc/58/57/62/712585762.db2.gz WBLWULHWYDSATM-UHFFFAOYSA-N 1 0 239.278 2.246 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000825227747 712592129 /nfs/dbraw/zinc/59/21/29/712592129.db2.gz ZNADBWPJHWKKSE-WFASDCNBSA-N 1 0 229.323 2.325 20 30 BEEDRO CCc1cccc(C[NH+]2CC(CC#N)C2)c1O ZINC000826985827 712592891 /nfs/dbraw/zinc/59/28/91/712592891.db2.gz LONCFCLEBCEJOR-UHFFFAOYSA-N 1 0 230.311 2.300 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000716930284 712597000 /nfs/dbraw/zinc/59/70/00/712597000.db2.gz ZQJQCEKRCMWITI-JHJVBQTASA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000716930290 712597076 /nfs/dbraw/zinc/59/70/76/712597076.db2.gz ZTYDPNMBHWCJBP-AAVRWANBSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)c(C)c1 ZINC000716933279 712597278 /nfs/dbraw/zinc/59/72/78/712597278.db2.gz HIJLCHTVQSWFEC-OAHLLOKOSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cc1ccc(F)cc1 ZINC000716942769 712598123 /nfs/dbraw/zinc/59/81/23/712598123.db2.gz CEXKTQWQZLRXIR-DOMZBBRYSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccccc1F ZINC000716950560 712599029 /nfs/dbraw/zinc/59/90/29/712599029.db2.gz XGKVOOSSZPWFOJ-JSGCOSHPSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CCC[N@@H+](CCOC)[C@@H]1C=CCCC1 ZINC000852752316 712612949 /nfs/dbraw/zinc/61/29/49/712612949.db2.gz YOHBBCZDOKKWEX-CYBMUJFWSA-N 1 0 207.317 2.067 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CCCCC#N ZINC000379876774 712620146 /nfs/dbraw/zinc/62/01/46/712620146.db2.gz ANGRGBMGNSOXIR-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[N@H+](C[Si](C)(C)C)[C@H]1CCC[C@H]1C#N ZINC000879308533 712633028 /nfs/dbraw/zinc/63/30/28/712633028.db2.gz PZBPSMWRXTTYIE-QWRGUYRKSA-N 1 0 210.397 2.488 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CCCOCC1 ZINC000379944874 712634818 /nfs/dbraw/zinc/63/48/18/712634818.db2.gz YSWXGKZWSYIYFR-HNNXBMFYSA-N 1 0 229.323 2.197 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CC[NH2+]CC1CC1 ZINC000717219704 712640000 /nfs/dbraw/zinc/64/00/00/712640000.db2.gz NLDMMAKUXIXAPP-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2nc(C3CC3)no2)C1 ZINC000886355087 712654816 /nfs/dbraw/zinc/65/48/16/712654816.db2.gz CAHQXBUJRUKQIV-QWRGUYRKSA-N 1 0 245.326 2.353 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cccc(C)n2)CC1 ZINC000717424951 712658391 /nfs/dbraw/zinc/65/83/91/712658391.db2.gz QNHCITDLCQXPPV-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CCCCC[NH3+] ZINC000717628517 712662149 /nfs/dbraw/zinc/66/21/49/712662149.db2.gz XPMYVYCFISLYRL-UHFFFAOYSA-N 1 0 226.364 2.367 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](CC)[C@H]1CC1(C)C ZINC000717748355 712668934 /nfs/dbraw/zinc/66/89/34/712668934.db2.gz IPUHQUXJFPWNJU-UPJWGTAASA-N 1 0 223.360 2.175 20 30 BEEDRO CC(C)[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000380015226 712670000 /nfs/dbraw/zinc/67/00/00/712670000.db2.gz MYLLJBYENOJSFU-NWDGAFQWSA-N 1 0 210.321 2.035 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCCCC12CCCC2 ZINC000717760569 712673692 /nfs/dbraw/zinc/67/36/92/712673692.db2.gz NKXUVQBTIHDCBW-KGLIPLIRSA-N 1 0 235.371 2.463 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000717766746 712674116 /nfs/dbraw/zinc/67/41/16/712674116.db2.gz XVUFOEUDJCBJFZ-YRGRVCCFSA-N 1 0 247.338 2.267 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H](C)c1ccccc1 ZINC000717840511 712691375 /nfs/dbraw/zinc/69/13/75/712691375.db2.gz HVFMMTNWYPZAAV-DZGCQCFKSA-N 1 0 231.339 2.154 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)[C@H](C)O1 ZINC000384845820 712701380 /nfs/dbraw/zinc/70/13/80/712701380.db2.gz DZABYSKKMXAZHD-VNHYZAJKSA-N 1 0 229.323 2.194 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000384884147 712703984 /nfs/dbraw/zinc/70/39/84/712703984.db2.gz VSSQIWWKQVKINH-CQSZACIVSA-N 1 0 244.338 2.393 20 30 BEEDRO CCOC1CC(C[N@@H+]2CCC[C@@H](C#N)C2)C1 ZINC000932154044 712715550 /nfs/dbraw/zinc/71/55/50/712715550.db2.gz DJMUCHINBQNZDG-HIFPTAJRSA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)C#N)CC1 ZINC000718816170 712784106 /nfs/dbraw/zinc/78/41/06/712784106.db2.gz WMSJUPGSHVCDIX-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718988811 712792314 /nfs/dbraw/zinc/79/23/14/712792314.db2.gz ODOBXWLGLRQQSR-ZDUSSCGKSA-N 1 0 239.359 2.428 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000718990142 712792758 /nfs/dbraw/zinc/79/27/58/712792758.db2.gz WBJVJBMZMQSPKA-RYUDHWBXSA-N 1 0 225.332 2.036 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@@H]2CC[N@H+](C)[C@H]2C)n1 ZINC000719578200 712811988 /nfs/dbraw/zinc/81/19/88/712811988.db2.gz UKRKKTQGRGFFKZ-WCQYABFASA-N 1 0 244.342 2.075 20 30 BEEDRO C[C@H]1[C@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000719599732 712814376 /nfs/dbraw/zinc/81/43/76/712814376.db2.gz LUGRVNQRESUIKT-JOYOIKCWSA-N 1 0 233.290 2.202 20 30 BEEDRO C[C@@H]1[C@H](Nc2cccc(F)c2C#N)CC[N@@H+]1C ZINC000719760268 712822456 /nfs/dbraw/zinc/82/24/56/712822456.db2.gz QVHYHAWOXBBBJI-BXKDBHETSA-N 1 0 233.290 2.202 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)CCO1 ZINC000720457185 712844608 /nfs/dbraw/zinc/84/46/08/712844608.db2.gz IEYIOOSVVZSTEW-GFCCVEGCSA-N 1 0 230.311 2.169 20 30 BEEDRO Cc1ccc(CN2C[C@H]([NH3+])C(C)(C)C2)cc1C#N ZINC000720743969 712863312 /nfs/dbraw/zinc/86/33/12/712863312.db2.gz XEFWYJUWNFTPNL-AWEZNQCLSA-N 1 0 243.354 2.036 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720777551 712865555 /nfs/dbraw/zinc/86/55/55/712865555.db2.gz GNYPRSYJASJQAG-GHMZBOCLSA-N 1 0 215.296 2.121 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720791009 712865679 /nfs/dbraw/zinc/86/56/79/712865679.db2.gz QCIQLABMUKOMKB-FZMZJTMJSA-N 1 0 247.338 2.037 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1C(=O)NCCC ZINC001209160067 957336859 /nfs/dbraw/zinc/33/68/59/957336859.db2.gz BNJISVNOEOVDOB-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)C1CC(C)C1 ZINC001266383500 957417128 /nfs/dbraw/zinc/41/71/28/957417128.db2.gz PNFPPKCWFAUVLH-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCC[N@H+]1CCC2(CN(C)C2)C1 ZINC001209432168 957463606 /nfs/dbraw/zinc/46/36/06/957463606.db2.gz AGKLIOHBBVYCRV-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO C=CCCCCCCC[N@@H+]1CCNC(=O)CC1 ZINC001209438633 957472975 /nfs/dbraw/zinc/47/29/75/957472975.db2.gz QAEKXRHOSOZGIC-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C(C)(C)C)C1 ZINC001266695458 958263927 /nfs/dbraw/zinc/26/39/27/958263927.db2.gz WSSBZKQADLXSLU-SDDRHHMPSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]CCCC ZINC001266941019 958629342 /nfs/dbraw/zinc/62/93/42/958629342.db2.gz 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1166306256 /nfs/dbraw/zinc/30/62/56/1166306256.db2.gz JSDZIWGZHLKBDZ-XBXGTLAGSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(OCCC)c1 ZINC001253600498 969294256 /nfs/dbraw/zinc/29/42/56/969294256.db2.gz BHIUFQBYPREEBI-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO N#CCC[N@H+](C[C@@H]1CCOC1)C1CCCC1 ZINC000120101584 1166312025 /nfs/dbraw/zinc/31/20/25/1166312025.db2.gz RXJCOCKRUJOUOK-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCC1CCCCCC1 ZINC001253603262 969300344 /nfs/dbraw/zinc/30/03/44/969300344.db2.gz UALNTDJYKCFMMU-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC(C)(C)CC(F)(F)F ZINC001253609993 969310628 /nfs/dbraw/zinc/31/06/28/969310628.db2.gz OENZDWOSHDFBSI-QMMMGPOBSA-N 1 0 225.254 2.102 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001253741666 969361259 /nfs/dbraw/zinc/36/12/59/969361259.db2.gz DNNMGKWVYWYHQC-IJLUTSLNSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001209200486 969384205 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1166446850 /nfs/dbraw/zinc/44/68/50/1166446850.db2.gz SSTZYIYOWKPVHI-VNHYZAJKSA-N 1 0 248.370 2.013 20 30 BEEDRO N#CC1(c2ccc(F)cc2)CCC([NH3+])CC1 ZINC001254340817 969570054 /nfs/dbraw/zinc/57/00/54/969570054.db2.gz BBWQZYYWJOBPOT-UHFFFAOYSA-N 1 0 218.275 2.488 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC001169504645 969689071 /nfs/dbraw/zinc/68/90/71/969689071.db2.gz PKWHFMJXLMQBEH-CYBMUJFWSA-N 1 0 226.364 2.167 20 30 BEEDRO N#C[C@H](O[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217860172 1166482114 /nfs/dbraw/zinc/48/21/14/1166482114.db2.gz OSQJGRCZZNDDJC-STQMWFEESA-N 1 0 216.284 2.020 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCc1ccc(F)cc1F ZINC000309161410 1166482231 /nfs/dbraw/zinc/48/22/31/1166482231.db2.gz ZECNPDQFSQAYNV-SECBINFHSA-N 1 0 209.239 2.119 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)C1 ZINC001254641958 969756577 /nfs/dbraw/zinc/75/65/77/969756577.db2.gz DKUNDVKQFCHEJX-CKIKVBCHSA-N 1 0 204.317 2.457 20 30 BEEDRO CC[C@@H](CC#N)n1cncc1C1CC[NH2+]CC1 ZINC001255176282 969994113 /nfs/dbraw/zinc/99/41/13/969994113.db2.gz ZDNNTJNJVXMBFQ-LBPRGKRZSA-N 1 0 232.331 2.215 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000309571629 1166578602 /nfs/dbraw/zinc/57/86/02/1166578602.db2.gz NCJFVWHYPXRFSV-ONGXEEELSA-N 1 0 219.263 2.003 20 30 BEEDRO C=CCN1CCC[C@H]([NH2+][C@H](C)CCCC)C1=O ZINC001255317838 970087421 /nfs/dbraw/zinc/08/74/21/970087421.db2.gz SQDKUPBVHBUURD-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CC[NH2+]C1(CNC(C)=O)CCCCC1 ZINC001115372179 970088224 /nfs/dbraw/zinc/08/82/24/970088224.db2.gz IXIBSZMLYAWZLP-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2cc(C#N)co2)CCO1 ZINC001255537882 970304966 /nfs/dbraw/zinc/30/49/66/970304966.db2.gz RLJJEHVBVZGKRK-LLVKDONJSA-N 1 0 234.299 2.198 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000695811648 1166689312 /nfs/dbraw/zinc/68/93/12/1166689312.db2.gz JZJVSYSHGPWDTM-MXWKQRLJSA-N 1 0 224.348 2.064 20 30 BEEDRO CSCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695874947 1166698482 /nfs/dbraw/zinc/69/84/82/1166698482.db2.gz YDXAKNKBDXXELJ-VIFPVBQESA-N 1 0 200.351 2.267 20 30 BEEDRO C#CC[N@@H+](C[C@H](O)CC1CCCC1)CC1CC1 ZINC001255648545 970425018 /nfs/dbraw/zinc/42/50/18/970425018.db2.gz HWGYQUAOZZHTLO-OAHLLOKOSA-N 1 0 235.371 2.273 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000686680420 1166746023 /nfs/dbraw/zinc/74/60/23/1166746023.db2.gz RELXPSJUHQBYAC-OAHLLOKOSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](N(CCC)C(C)=O)C1 ZINC001481389500 1166755358 /nfs/dbraw/zinc/75/53/58/1166755358.db2.gz VEEMOWNWMVJHMC-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1=CCCCCC1 ZINC001126214840 1166780674 /nfs/dbraw/zinc/78/06/74/1166780674.db2.gz OJRKLLGTAGSABO-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NCC1(C#N)CCC1 ZINC001255940537 970570277 /nfs/dbraw/zinc/57/02/77/970570277.db2.gz CYQHSEDNFJXEMJ-ZDUSSCGKSA-N 1 0 237.391 2.390 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NC1=CC(=O)CCC1 ZINC001255944379 970579372 /nfs/dbraw/zinc/57/93/72/970579372.db2.gz VMBNVASHDLRLCJ-LBPRGKRZSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)C(C)(C)C)CC1 ZINC001167829549 1166837079 /nfs/dbraw/zinc/83/70/79/1166837079.db2.gz LFDBDHXNYSSUHV-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC1CC1 ZINC001268102570 1166846927 /nfs/dbraw/zinc/84/69/27/1166846927.db2.gz WSMUSODCKYCRSS-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO CCN(CCC#N)[C@@H](C)CC[NH+](CC)CC ZINC001255961420 970600944 /nfs/dbraw/zinc/60/09/44/970600944.db2.gz MCSMEJNTUOPAET-ZDUSSCGKSA-N 1 0 225.380 2.342 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCO[C@@H](CC)C2)CC1 ZINC001170235426 970608081 /nfs/dbraw/zinc/60/80/81/970608081.db2.gz MCKXGMYBKBULTE-KGLIPLIRSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC(C)C)C1 ZINC001752650043 1166881265 /nfs/dbraw/zinc/88/12/65/1166881265.db2.gz BKPADPOTYKYPND-HAQNSBGRSA-N 1 0 238.375 2.091 20 30 BEEDRO CC(C)(S)CNc1[nH+]ccc2c1CCN2 ZINC001170302914 970691664 /nfs/dbraw/zinc/69/16/64/970691664.db2.gz ZKWQGGYUZZRVBZ-UHFFFAOYSA-N 1 0 223.345 2.170 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC ZINC001157712047 970706501 /nfs/dbraw/zinc/70/65/01/970706501.db2.gz XTYHSRQKVSBAOY-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)C1CCCC1 ZINC001753848168 1166922992 /nfs/dbraw/zinc/92/29/92/1166922992.db2.gz VFPJEXNKEIZURX-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C)C(=O)CC1CCC1 ZINC001753849781 1166924743 /nfs/dbraw/zinc/92/47/43/1166924743.db2.gz MYRJFBKRFSNQKF-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)C(C)=C1CCC1 ZINC001753852282 1166925735 /nfs/dbraw/zinc/92/57/35/1166925735.db2.gz JCFVNYNLFWWJMX-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000389230025 1166972989 /nfs/dbraw/zinc/97/29/89/1166972989.db2.gz SUEXZSJBDOMBMG-VXGBXAGGSA-N 1 0 211.374 2.377 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)CCC1(C)CC1 ZINC001268752854 1166985745 /nfs/dbraw/zinc/98/57/45/1166985745.db2.gz MOLUAKXMXCQFQK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)CCC ZINC001269211233 1166998997 /nfs/dbraw/zinc/99/89/97/1166998997.db2.gz SILYIJRRGOHBDD-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC1CCC(n2cnc(C[NH3+])c2)CC1 ZINC001173308354 975216266 /nfs/dbraw/zinc/21/62/66/975216266.db2.gz IORKXSUBAOUHNF-UHFFFAOYSA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCC[NH2+]C[C@H](NC(=O)CC)C1CCCC1 ZINC001270370519 1167061105 /nfs/dbraw/zinc/06/11/05/1167061105.db2.gz XMDJKZLIZDEILD-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)N1CC([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173329899 975279825 /nfs/dbraw/zinc/27/98/25/975279825.db2.gz PEKZBFYCWRMFJC-UHFFFAOYSA-N 1 0 235.375 2.141 20 30 BEEDRO C[NH+](C)CCNc1cccc2[nH]cc(CC#N)c21 ZINC001161671550 1167106391 /nfs/dbraw/zinc/10/63/91/1167106391.db2.gz VLSKERBLNDVXQZ-UHFFFAOYSA-N 1 0 242.326 2.207 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](C)CCC ZINC001493501901 1167123606 /nfs/dbraw/zinc/12/36/06/1167123606.db2.gz YTOUEWBKKBPSKU-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO COC(=O)CCCC[C@@H](C)[NH2+]CCCC#N ZINC001173440876 975377670 /nfs/dbraw/zinc/37/76/70/975377670.db2.gz JIBTVAGNRGTVHU-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)CCCCC(=O)OC ZINC001173451697 975388827 /nfs/dbraw/zinc/38/88/27/975388827.db2.gz GENRJBWGPBTJFY-OCCSQVGLSA-N 1 0 239.359 2.500 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CCCC[C@H]1COC ZINC000307778911 1167166529 /nfs/dbraw/zinc/16/65/29/1167166529.db2.gz XSMGEBOLSVAHCS-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)C1CCSCC1 ZINC000308901731 1167219761 /nfs/dbraw/zinc/21/97/61/1167219761.db2.gz BNBILQVIKDTTEM-PWSUYJOCSA-N 1 0 229.389 2.309 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2C=CCCC2)n1 ZINC001333354139 975700338 /nfs/dbraw/zinc/70/03/38/975700338.db2.gz KDRVYLCPYCLWAR-NSHDSACASA-N 1 0 213.284 2.152 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1sccc1OC ZINC000309030203 1167242688 /nfs/dbraw/zinc/24/26/88/1167242688.db2.gz DECHAZMRYZSARA-SECBINFHSA-N 1 0 227.329 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCC[C@@H](SC)C1 ZINC001333505897 975821380 /nfs/dbraw/zinc/82/13/80/975821380.db2.gz XKWPQBPVTJBHRC-GRYCIOLGSA-N 1 0 229.389 2.451 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H](C)C[S@](C)=O ZINC000309213644 1167267913 /nfs/dbraw/zinc/26/79/13/1167267913.db2.gz TYJJKFLAZURGLJ-HUBLWGQQSA-N 1 0 231.405 2.478 20 30 BEEDRO N#Cc1cc(-c2c[nH+]ccc2N)ccc1F ZINC000309253292 1167275120 /nfs/dbraw/zinc/27/51/20/1167275120.db2.gz REIFQGUSDWUIHM-UHFFFAOYSA-N 1 0 213.215 2.342 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC(F)(F)C1 ZINC000389225006 1167286658 /nfs/dbraw/zinc/28/66/58/1167286658.db2.gz PNDOCILVHPFEAC-BDAKNGLRSA-N 1 0 202.248 2.456 20 30 BEEDRO N#Cc1cc(Cl)cc(O[C@@H]2CCC[NH2+]C2)c1 ZINC000309366497 1167294908 /nfs/dbraw/zinc/29/49/08/1167294908.db2.gz ALSWSOBCJGFPHL-LLVKDONJSA-N 1 0 236.702 2.342 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(CC)CC ZINC001271217934 1167319941 /nfs/dbraw/zinc/31/99/41/1167319941.db2.gz WEKMNFAXXPRHOV-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1csc(C(C)C)n1 ZINC000309502252 1167322692 /nfs/dbraw/zinc/32/26/92/1167322692.db2.gz BECNBMFZPWMBPG-JTQLQIEISA-N 1 0 240.372 2.293 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000384832428 1167368049 /nfs/dbraw/zinc/36/80/49/1167368049.db2.gz YNMZKNVIXXGTDA-NWDGAFQWSA-N 1 0 236.359 2.283 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001088448430 1167382911 /nfs/dbraw/zinc/38/29/11/1167382911.db2.gz ITDLJLYOVUSEIO-NEPJUHHUSA-N 1 0 248.326 2.048 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc(O)cc(Cl)c1 ZINC001335490540 977095869 /nfs/dbraw/zinc/09/58/69/977095869.db2.gz SXBVASZWPGNVDO-NSHDSACASA-N 1 0 241.718 2.336 20 30 BEEDRO CCCCCCCCNC(=O)[C@H](F)C1C[NH2+]C1 ZINC000310166789 1167426635 /nfs/dbraw/zinc/42/66/35/1167426635.db2.gz SIXJKEMCWFDLOK-GFCCVEGCSA-N 1 0 244.354 2.021 20 30 BEEDRO CC#CC[NH2+]C[C@@H](O)c1ccc(F)cc1Cl 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C#CCC[C@H](O)C[NH2+][C@H](CCC)CCC=C ZINC000381353245 1167544341 /nfs/dbraw/zinc/54/43/41/1167544341.db2.gz CIGYTQXTBNGZSG-KGLIPLIRSA-N 1 0 223.360 2.485 20 30 BEEDRO C#C[C@@H](CC(C)C)OCC1CC[NH+](C)CC1 ZINC001224454067 1167561258 /nfs/dbraw/zinc/56/12/58/1167561258.db2.gz MTXWUEPDKWWPMI-AWEZNQCLSA-N 1 0 223.360 2.393 20 30 BEEDRO C=C[C@@H](COC)[NH2+]CCCC(F)(F)F ZINC001336750819 977913979 /nfs/dbraw/zinc/91/39/79/977913979.db2.gz LEPYHLLCDWUZFN-QMMMGPOBSA-N 1 0 211.227 2.120 20 30 BEEDRO C[C@H](C#N)C[NH2+]CCc1ccc(F)cc1F ZINC000381468577 1167636095 /nfs/dbraw/zinc/63/60/95/1167636095.db2.gz LVDWJQZWYRGLPA-SECBINFHSA-N 1 0 224.254 2.257 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N=Nc2ncccn2)CC1 ZINC000060808282 1167672470 /nfs/dbraw/zinc/67/24/70/1167672470.db2.gz MNCXHGJNGVGXGJ-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)CCCCC ZINC001483630346 1167676070 /nfs/dbraw/zinc/67/60/70/1167676070.db2.gz WMIDCYBICCJKTC-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)CCCCC ZINC001483630347 1167676217 /nfs/dbraw/zinc/67/62/17/1167676217.db2.gz WMIDCYBICCJKTC-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C[N@H+](Cc1cc(C#N)ccn1)CC(C)(C)C ZINC001232481102 1167688632 /nfs/dbraw/zinc/68/86/32/1167688632.db2.gz UQQGDSWWSSBGIO-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001337120211 978173774 /nfs/dbraw/zinc/17/37/74/978173774.db2.gz CYETVOGQNQLRKA-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO Cc1c(N)cc[nH+]c1NCCCCC#N ZINC001168426724 1167703463 /nfs/dbraw/zinc/70/34/63/1167703463.db2.gz DIDJEDUGTJUDFE-UHFFFAOYSA-N 1 0 204.277 2.078 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179012 1167719480 /nfs/dbraw/zinc/71/94/80/1167719480.db2.gz JYUIGYKQAPSAJY-DGCLKSJQSA-N 1 0 226.364 2.455 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H]1C ZINC001691641857 1167736160 /nfs/dbraw/zinc/73/61/60/1167736160.db2.gz VLUHPNNRIKVRFS-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@H](CC)CC(C)C ZINC001752912044 1167764302 /nfs/dbraw/zinc/76/43/02/1167764302.db2.gz YYMPIFIGUTWZAJ-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+]CC#Cc1ccccc1 ZINC000310442954 1167773057 /nfs/dbraw/zinc/77/30/57/1167773057.db2.gz SWQJPAFLJQRODD-OAHLLOKOSA-N 1 0 231.339 2.035 20 30 BEEDRO C=C(C[NH2+][C@H](C)[C@H](C)O)c1ccccc1 ZINC000386948516 1167787697 /nfs/dbraw/zinc/78/76/97/1167787697.db2.gz WCQLHSDXUFQHLI-NEPJUHHUSA-N 1 0 205.301 2.059 20 30 BEEDRO C=C(C[NH2+][C@@H](C)[C@H](C)O)c1ccccc1 ZINC000386948518 1167789144 /nfs/dbraw/zinc/78/91/44/1167789144.db2.gz WCQLHSDXUFQHLI-RYUDHWBXSA-N 1 0 205.301 2.059 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2sncc2C)C1 ZINC001233321666 978564336 /nfs/dbraw/zinc/56/43/36/978564336.db2.gz YLJWFTUZELPZJE-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[C@@H]1C[NH2+]CC ZINC001277947385 979053862 /nfs/dbraw/zinc/05/38/62/979053862.db2.gz LABMSQUZJFPSMU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)C(C)C ZINC001277953995 979098562 /nfs/dbraw/zinc/09/85/62/979098562.db2.gz JXCGQMQECUZJLN-STQMWFEESA-N 1 0 240.391 2.291 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CC)C1 ZINC001484030928 1168221674 /nfs/dbraw/zinc/22/16/74/1168221674.db2.gz ZQSSFZXHYXVXFZ-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCCCN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236279947 979482898 /nfs/dbraw/zinc/48/28/98/979482898.db2.gz ACHYFQOTCGWTID-CHWSQXEVSA-N 1 0 208.349 2.027 20 30 BEEDRO C[N@H+]1CC=C(Cc2ccccc2C#N)CC1 ZINC001250046506 979497282 /nfs/dbraw/zinc/49/72/82/979497282.db2.gz XCZOBJGNMYPHSB-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C=C(/C)CC)C1 ZINC001182407445 979525751 /nfs/dbraw/zinc/52/57/51/979525751.db2.gz YQHZPSUJCMXXBZ-KXXVWKPMSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCCC[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001236980475 979800573 /nfs/dbraw/zinc/80/05/73/979800573.db2.gz JCIQHGYOIGJVIG-SNVBAGLBSA-N 1 0 236.281 2.179 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C=C)CC ZINC001734050939 1168348418 /nfs/dbraw/zinc/34/84/18/1168348418.db2.gz LVFVSYXSANJHNW-QWHCGFSZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001343015089 979977387 /nfs/dbraw/zinc/97/73/87/979977387.db2.gz UGUQOLREYZGJHU-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C#CCNc1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC001163362334 1168408771 /nfs/dbraw/zinc/40/87/71/1168408771.db2.gz RUEWDLDUUYAENI-ZDUSSCGKSA-N 1 0 229.327 2.284 20 30 BEEDRO C#CCNc1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC001163362333 1168409005 /nfs/dbraw/zinc/40/90/05/1168409005.db2.gz RUEWDLDUUYAENI-CYBMUJFWSA-N 1 0 229.327 2.284 20 30 BEEDRO CCCCCCCCNC(=O)NC[C@H]1CC[NH2+]1 ZINC001239224984 980499925 /nfs/dbraw/zinc/49/99/25/980499925.db2.gz NLUCYHXIVLFRGE-GFCCVEGCSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCCOC(=O)NC1(C)C[NH2+]C1 ZINC001239317516 980529259 /nfs/dbraw/zinc/52/92/59/980529259.db2.gz DHXBALATDLMQBE-UHFFFAOYSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCCOC(=O)N1CC([NH3+])C1 ZINC001239326527 980534767 /nfs/dbraw/zinc/53/47/67/980534767.db2.gz HUNZZTBFZVMOJP-UHFFFAOYSA-N 1 0 228.336 2.126 20 30 BEEDRO CCCCCCCOC(=O)NC[C@@H]([NH3+])CC ZINC001239321935 980533772 /nfs/dbraw/zinc/53/37/72/980533772.db2.gz KVCMKOCDHBAJRB-NSHDSACASA-N 1 0 230.352 2.420 20 30 BEEDRO C#CC[N@@H+](CCc1scnc1C)CC1CC1 ZINC001345378440 980605016 /nfs/dbraw/zinc/60/50/16/980605016.db2.gz SLRMCOTWLCHPAF-UHFFFAOYSA-N 1 0 234.368 2.339 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCCCC)C1 ZINC001188871045 980713905 /nfs/dbraw/zinc/71/39/05/980713905.db2.gz XJPAFLPEMTVRBK-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC001346473069 980843363 /nfs/dbraw/zinc/84/33/63/980843363.db2.gz CMABBAAVKBFTQL-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1(C)CC=CC1 ZINC001133330087 1168570040 /nfs/dbraw/zinc/57/00/40/1168570040.db2.gz LZOBUJRNQZWDBH-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC=C ZINC001133885273 1168578031 /nfs/dbraw/zinc/57/80/31/1168578031.db2.gz YNASHDMGDYBGMQ-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133712611 1168573447 /nfs/dbraw/zinc/57/34/47/1168573447.db2.gz HYPWYOVIGFRANH-GHMZBOCLSA-N 1 0 246.782 2.268 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)(C)C ZINC001133730363 1168574212 /nfs/dbraw/zinc/57/42/12/1168574212.db2.gz AIIUOPKJZZFIOQ-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=C)C ZINC001133884885 1168582142 /nfs/dbraw/zinc/58/21/42/1168582142.db2.gz UVGIMNACMUJYHQ-QWHCGFSZSA-N 1 0 238.375 2.402 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC[C@H](C)CC ZINC001135612144 1168605344 /nfs/dbraw/zinc/60/53/44/1168605344.db2.gz QGJGEKBNWHKRCK-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001191891078 981097687 /nfs/dbraw/zinc/09/76/87/981097687.db2.gz WZIJQULBFMORAE-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171184371 1168651461 /nfs/dbraw/zinc/65/14/61/1168651461.db2.gz MAVGMMDSHJRBNH-NSHDSACASA-N 1 0 200.285 2.265 20 30 BEEDRO N#CCC1CCC(n2ccc(C[NH3+])cc2=N)CC1 ZINC001173328255 1168685753 /nfs/dbraw/zinc/68/57/53/1168685753.db2.gz URAWVOPCJAISIO-UHFFFAOYSA-N 1 0 244.342 2.071 20 30 BEEDRO CC[C@@H](COC)[NH2+]C1CCC(CC#N)CC1 ZINC001173334738 1168688304 /nfs/dbraw/zinc/68/83/04/1168688304.db2.gz WQSUDHICUUBFSK-CPCZMJQVSA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1nccnc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173333387 1168688399 /nfs/dbraw/zinc/68/83/99/1168688399.db2.gz KRSGJRKGFYYYSW-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CC[N@H+](CCN(C)C)C1CCC(CC#N)CC1 ZINC001173333129 1168687503 /nfs/dbraw/zinc/68/75/03/1168687503.db2.gz YUASKJROGMZQCO-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO Cc1ncncc1C[NH2+]C1CCC(CC#N)CC1 ZINC001173334492 1168687756 /nfs/dbraw/zinc/68/77/56/1168687756.db2.gz WMKNYEUJDKPCPH-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CN(C)C1(C)C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173337628 1168687938 /nfs/dbraw/zinc/68/79/38/1168687938.db2.gz RDESIYFTOBNUFX-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@@]1(C[NH2+]C2CCC(CC#N)CC2)CCOC1 ZINC001173334757 1168688750 /nfs/dbraw/zinc/68/87/50/1168688750.db2.gz WTRRVVBFOCHDFG-RUXDESIVSA-N 1 0 236.359 2.475 20 30 BEEDRO COC(=O)C[N@H+](CC(C)C)C[C@H](C)CCC#N ZINC001349598781 981590593 /nfs/dbraw/zinc/59/05/93/981590593.db2.gz DGBLGBXTQBQMKY-GFCCVEGCSA-N 1 0 240.347 2.057 20 30 BEEDRO C=CCOC(=O)N[C@H]1CC[N@@H+](CC(C)(C)C)C1 ZINC001194343429 981779865 /nfs/dbraw/zinc/77/98/65/981779865.db2.gz RXKLXYDEFBJCQU-NSHDSACASA-N 1 0 240.347 2.019 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([N@H+](C)CC=C)C1 ZINC001192059958 1168788555 /nfs/dbraw/zinc/78/85/55/1168788555.db2.gz LBOSUULSRIBPPD-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCCC(=O)N1CCC[N@H+](CC=C)CC1 ZINC001196984972 982508278 /nfs/dbraw/zinc/50/82/78/982508278.db2.gz ZBDCGEBWNBCAFQ-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CC1(C)C ZINC001490179522 1168854561 /nfs/dbraw/zinc/85/45/61/1168854561.db2.gz TZCRLOBSGDQOBO-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1CCC(CC)CC1 ZINC001252572800 1168887732 /nfs/dbraw/zinc/88/77/32/1168887732.db2.gz UZCUCQFMTMIYPR-BPCQOVAHSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccsc1 ZINC001252587594 1168891452 /nfs/dbraw/zinc/89/14/52/1168891452.db2.gz UEJSTGOOXHPYQC-LLVKDONJSA-N 1 0 211.330 2.165 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C[C@H](C)CC)CC1 ZINC001200274026 982780768 /nfs/dbraw/zinc/78/07/68/982780768.db2.gz YYBXSKRLNPJFMV-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Nc2cccc(Cl)n2)C1 ZINC000884611035 1168973938 /nfs/dbraw/zinc/97/39/38/1168973938.db2.gz BFNNSIXKEGPNOJ-NSHDSACASA-N 1 0 249.745 2.245 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000886362954 1168981118 /nfs/dbraw/zinc/98/11/18/1168981118.db2.gz UJTXFDGJRJNTQR-STQMWFEESA-N 1 0 214.312 2.488 20 30 BEEDRO CC[C@@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201503207 983270508 /nfs/dbraw/zinc/27/05/08/983270508.db2.gz QVNGWPWQOZXDKT-KOLCDFICSA-N 1 0 225.357 2.307 20 30 BEEDRO CC[C@@H](C)C[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201503208 983273880 /nfs/dbraw/zinc/27/38/80/983273880.db2.gz QVNGWPWQOZXDKT-MWLCHTKSSA-N 1 0 225.357 2.307 20 30 BEEDRO C=CCC[NH2+]CC1CC(NC(=O)CCCC)C1 ZINC001275198325 1169039257 /nfs/dbraw/zinc/03/92/57/1169039257.db2.gz OWFAFDCWDDLCCA-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)CCC[NH2+]C(C)C ZINC001276253659 1169069346 /nfs/dbraw/zinc/06/93/46/1169069346.db2.gz ZNKUMCNFLJXDRN-UHFFFAOYSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000685978647 1169092347 /nfs/dbraw/zinc/09/23/47/1169092347.db2.gz AMRVCGNAMCIFBH-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCCC[N@H+]1CCOC[C@@H]1CC ZINC000686677158 1169109199 /nfs/dbraw/zinc/10/91/99/1169109199.db2.gz VDGJLEQAYFMLDS-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCCCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000686681444 1169110917 /nfs/dbraw/zinc/11/09/17/1169110917.db2.gz RDGUHKYUNPGTAU-CYBMUJFWSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(C)CC[NH2+]C1CC(CNC(=O)C(C)C)C1 ZINC001489376144 983710359 /nfs/dbraw/zinc/71/03/59/983710359.db2.gz IXZAINOIZXGGDS-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)CC(C)=C(C)C ZINC001490236232 983717824 /nfs/dbraw/zinc/71/78/24/983717824.db2.gz CLNGFMONIKNSKU-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCNC(=O)C1CCC1 ZINC001490312890 983720523 /nfs/dbraw/zinc/72/05/23/983720523.db2.gz UACUQCQBKWEPHO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO N#C[C@H]1CC=C(Nc2cc[nH+]c(CO)c2)CC1 ZINC001212857499 1169119113 /nfs/dbraw/zinc/11/91/13/1169119113.db2.gz KVAXNJPMUMYZOM-JTQLQIEISA-N 1 0 229.283 2.193 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CCCC(C)C)C1 ZINC001490563164 983730333 /nfs/dbraw/zinc/73/03/33/983730333.db2.gz UJAJKBRGYITPDU-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](CC)C1CCCCC1 ZINC001252451586 983779330 /nfs/dbraw/zinc/77/93/30/983779330.db2.gz TWANIZXUZVTUCX-AWEZNQCLSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(C)cc1 ZINC001252538456 983804129 /nfs/dbraw/zinc/80/41/29/983804129.db2.gz HDKGHVQMLRBGAH-ZDUSSCGKSA-N 1 0 205.301 2.022 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1CCC[C@@H](C)[C@@H](C)C1 ZINC001252547795 983813182 /nfs/dbraw/zinc/81/31/82/983813182.db2.gz LIVZHWUEMWIZMJ-AGIUHOORSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccc(F)cn1 ZINC001252615065 983850585 /nfs/dbraw/zinc/85/05/85/983850585.db2.gz ULOQDEFTJVPEKR-ZYHUDNBSSA-N 1 0 238.306 2.198 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2F)C1 ZINC001254648932 1169237524 /nfs/dbraw/zinc/23/75/24/1169237524.db2.gz PDKLYSBIGOUVNM-JTNHKYCSSA-N 1 0 248.301 2.141 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=C)C)C1 ZINC001490894164 1169256164 /nfs/dbraw/zinc/25/61/64/1169256164.db2.gz FPDZKBBDFDQNFJ-JOCQHMNTSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)CC1CCC1 ZINC001491422499 1169275545 /nfs/dbraw/zinc/27/55/45/1169275545.db2.gz GRESGVIAQYIUAW-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH+]1CCC(NC(=O)C=C(C)C)CC1 ZINC001225946352 974740015 /nfs/dbraw/zinc/74/00/15/974740015.db2.gz RURRHCQLTFLPGT-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1nccs1 ZINC001172477267 974774610 /nfs/dbraw/zinc/77/46/10/974774610.db2.gz YFZNWSTYHQKAMD-JTQLQIEISA-N 1 0 223.345 2.358 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cncc(F)c1 ZINC001172478862 974776343 /nfs/dbraw/zinc/77/63/43/974776343.db2.gz IBWHBSDFZXFDOB-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1CCCCN1C ZINC001172480252 974778912 /nfs/dbraw/zinc/77/89/12/974778912.db2.gz NDJLKODMZDETQW-QWHCGFSZSA-N 1 0 223.364 2.143 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC001116643434 1169302490 /nfs/dbraw/zinc/30/24/90/1169302490.db2.gz CXADCUDSVMVPRZ-GXTWGEPZSA-N 1 0 249.354 2.417 20 30 BEEDRO CCOC(=O)C1(C[NH2+][C@H](C)CCCC#N)CC1 ZINC001172480942 974781847 /nfs/dbraw/zinc/78/18/47/974781847.db2.gz YDADSFNJRDNDJD-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cc(F)ccn1 ZINC001172482909 974784175 /nfs/dbraw/zinc/78/41/75/974784175.db2.gz AWBMGWWPLNIDPY-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1cnn(C)c1 ZINC001172486583 974791170 /nfs/dbraw/zinc/79/11/70/974791170.db2.gz BZLNPTNWTIEYBJ-GHMZBOCLSA-N 1 0 220.320 2.153 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]CCCS ZINC001172442525 974802973 /nfs/dbraw/zinc/80/29/73/974802973.db2.gz LBSRZCAXJYXQPD-JTQLQIEISA-N 1 0 205.367 2.100 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](OC)[C@@H](C)CC)C1 ZINC001331727804 974805393 /nfs/dbraw/zinc/80/53/93/974805393.db2.gz IRVSEGCTJAWPER-BFHYXJOUSA-N 1 0 241.375 2.324 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccn(CCF)n1 ZINC001172488837 974832384 /nfs/dbraw/zinc/83/23/84/974832384.db2.gz WRFFZIJOHKONJP-NSHDSACASA-N 1 0 238.310 2.025 20 30 BEEDRO N#Cc1cc(F)cc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001139877557 1169367539 /nfs/dbraw/zinc/36/75/39/1169367539.db2.gz NYJZCBQHWMFOLH-UBHSHLNASA-N 1 0 248.276 2.487 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC001327896330 972800715 /nfs/dbraw/zinc/80/07/15/972800715.db2.gz FEVXHOUKDCXSOV-WLYUNCDWSA-N 1 0 235.371 2.273 20 30 BEEDRO Cc1cnc(C[NH2+]CCCCC#N)s1 ZINC001649181269 1169377711 /nfs/dbraw/zinc/37/77/11/1169377711.db2.gz RYSXKNXRTIHDFU-UHFFFAOYSA-N 1 0 209.318 2.235 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)COc1cccc(CC)c1 ZINC000122729983 1169393124 /nfs/dbraw/zinc/39/31/24/1169393124.db2.gz HYMLTBZYMVADNW-AWEZNQCLSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CC2=CCCC2)C1 ZINC001328175757 972893844 /nfs/dbraw/zinc/89/38/44/972893844.db2.gz ZBQTZDJLPNJFPW-CYBMUJFWSA-N 1 0 207.317 2.374 20 30 BEEDRO C#C[C@@H]1CCCN(CC[NH+]2CCC(C)CC2)C1 ZINC000847020375 973064323 /nfs/dbraw/zinc/06/43/23/973064323.db2.gz BCWMLNYMAWOQEH-OAHLLOKOSA-N 1 0 234.387 2.064 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(CC)CC ZINC001151980587 1169412531 /nfs/dbraw/zinc/41/25/31/1169412531.db2.gz COQBOTPAYFUDNI-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CCCCC1 ZINC001328978441 973409942 /nfs/dbraw/zinc/40/99/42/973409942.db2.gz QAHKODUWYZNLJZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)C ZINC001276964584 973558678 /nfs/dbraw/zinc/55/86/78/973558678.db2.gz VAFXPBVCQKXYGC-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402186174 970770968 /nfs/dbraw/zinc/77/09/68/970770968.db2.gz FSDZDXQRJTYFQW-CQSZACIVSA-N 1 0 232.327 2.324 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+]Cc1cc(C#N)co1 ZINC001256407820 970813232 /nfs/dbraw/zinc/81/32/32/970813232.db2.gz PYFDTOWDJZKEAG-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C=CCOC1CCC([N@@H+](C)C[C@@H](N)CC)CC1 ZINC001246980870 973726286 /nfs/dbraw/zinc/72/62/86/973726286.db2.gz MINOAUDTWQQURW-HSBZDZAISA-N 1 0 240.391 2.169 20 30 BEEDRO C#CC(C)(C)[NH2+]C1CCC(OCC)CC1 ZINC001256424394 970829853 /nfs/dbraw/zinc/82/98/53/970829853.db2.gz IZMHUHGJWXWTSA-UHFFFAOYSA-N 1 0 209.333 2.336 20 30 BEEDRO C#CCN1CC[NH+](C[C@@H](CC)CCCC)CC1 ZINC000183645059 970838039 /nfs/dbraw/zinc/83/80/39/970838039.db2.gz RQNMIZYPMHPPKN-HNNXBMFYSA-N 1 0 236.403 2.454 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000351949087 970845637 /nfs/dbraw/zinc/84/56/37/970845637.db2.gz LSXFQCMJXSBXSV-CYBMUJFWSA-N 1 0 211.349 2.293 20 30 BEEDRO CCOC1CCC([N@@H+]2CC[C@H](C#N)C2)CC1 ZINC001256444574 970844672 /nfs/dbraw/zinc/84/46/72/970844672.db2.gz USPWIQDRIUXQMD-PNESKVBLSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CCC ZINC001329400333 973742476 /nfs/dbraw/zinc/74/24/76/973742476.db2.gz ZNXHUMPUHFNEDP-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)CCCC[NH2+]CC ZINC001170453708 970855264 /nfs/dbraw/zinc/85/52/64/970855264.db2.gz QMZXDARMMNUSRP-CYBMUJFWSA-N 1 0 238.375 2.074 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CCC[C@H](C#N)C2)CC1 ZINC001256573327 970866695 /nfs/dbraw/zinc/86/66/95/970866695.db2.gz GSXSGZZTYLQDLE-CYBMUJFWSA-N 1 0 249.402 2.485 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000234794839 973767596 /nfs/dbraw/zinc/76/75/96/973767596.db2.gz NTDQCMHJDVUXGR-IUCAKERBSA-N 1 0 203.713 2.142 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2c(cccc2OC)C1 ZINC001256654403 970900837 /nfs/dbraw/zinc/90/08/37/970900837.db2.gz NNOVUWTVVVISQE-ZDUSSCGKSA-N 1 0 229.323 2.118 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[C@H](C)CC ZINC001147860972 973781751 /nfs/dbraw/zinc/78/17/51/973781751.db2.gz MRVBARWVBBQGDQ-PWSUYJOCSA-N 1 0 226.364 2.045 20 30 BEEDRO Cc1ccc(Nc2cc[nH+]c(CO)c2)cc1C#N ZINC001216073551 970924048 /nfs/dbraw/zinc/92/40/48/970924048.db2.gz FUALLSNXRHCBBL-UHFFFAOYSA-N 1 0 239.278 2.498 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[N@@H+](C)CC(C)C ZINC001329452176 973784474 /nfs/dbraw/zinc/78/44/74/973784474.db2.gz YPSFKJQTAGKVLR-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000130072704 1169482531 /nfs/dbraw/zinc/48/25/31/1169482531.db2.gz VVTOSNOQUKMSND-GMTAPVOTSA-N 1 0 210.321 2.224 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](C)C(C)(C)C ZINC001130289775 970954353 /nfs/dbraw/zinc/95/43/53/970954353.db2.gz TZHNEKLJWKCZSV-SNVBAGLBSA-N 1 0 246.782 2.127 20 30 BEEDRO C[NH+](C)CC(C)(C)CNc1cc(CC#N)ccn1 ZINC001157944679 970967083 /nfs/dbraw/zinc/96/70/83/970967083.db2.gz PILJBXAVZPNBMQ-UHFFFAOYSA-N 1 0 246.358 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccncc2)C1 ZINC001256745105 970978756 /nfs/dbraw/zinc/97/87/56/970978756.db2.gz GPXFNIOESDYBNM-UONOGXRCSA-N 1 0 228.339 2.358 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](C)CC(C)C)C1 ZINC001207536907 1169494696 /nfs/dbraw/zinc/49/46/96/1169494696.db2.gz YXTNFUIINJQORE-GJZGRUSLSA-N 1 0 236.403 2.356 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256800849 970990152 /nfs/dbraw/zinc/99/01/52/970990152.db2.gz RSPZQKPFVMTLRI-KKUMJFAQSA-N 1 0 247.338 2.043 20 30 BEEDRO CC(C)(C#N)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256898778 971010787 /nfs/dbraw/zinc/01/07/87/971010787.db2.gz PLPQTSDVSCOQDG-GFCCVEGCSA-N 1 0 235.375 2.285 20 30 BEEDRO C[C@@H](CC#N)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256909788 971018328 /nfs/dbraw/zinc/01/83/28/971018328.db2.gz VVVXVUOOFLRPLE-STQMWFEESA-N 1 0 235.375 2.285 20 30 BEEDRO N#Cc1c(F)cncc1/C=C/C1CC[NH2+]CC1 ZINC001243895359 971019006 /nfs/dbraw/zinc/01/90/06/971019006.db2.gz BALYIXHREOYFOE-OWOJBTEDSA-N 1 0 231.274 2.105 20 30 BEEDRO CCOC(C[NH2+]C1CCC(C#N)CC1)OCC ZINC001256951089 971024537 /nfs/dbraw/zinc/02/45/37/971024537.db2.gz WQFCXGQLXMXVTQ-UHFFFAOYSA-N 1 0 240.347 2.057 20 30 BEEDRO CC(C)N1CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256953373 971025542 /nfs/dbraw/zinc/02/55/42/971025542.db2.gz HZATXQKBRXENPE-JXQTWKCFSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1cncnc1 ZINC001256955872 971026225 /nfs/dbraw/zinc/02/62/25/971026225.db2.gz CQGRFOUBBSVNRI-ZBOXLXRLSA-N 1 0 230.315 2.210 20 30 BEEDRO CC(C)(O)CCC[NH2+]C1CCC(C#N)CC1 ZINC001256958505 971027119 /nfs/dbraw/zinc/02/71/19/971027119.db2.gz DQLRZGMQZFBAQE-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CN1CCCC1)[NH2+]C1CCC(C#N)CC1 ZINC001256953653 971031894 /nfs/dbraw/zinc/03/18/94/971031894.db2.gz LEPVBONLKZNNBR-HSBZDZAISA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)N1CC[C@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC001256953385 971028589 /nfs/dbraw/zinc/02/85/89/971028589.db2.gz HZATXQKBRXENPE-RUXDESIVSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H]1CN(C)[C@@H](C)C[N@H+]1C1CCC(C#N)CC1 ZINC001256963696 971038890 /nfs/dbraw/zinc/03/88/90/971038890.db2.gz KRIRMUFQKQHGTD-MRFVTOPCSA-N 1 0 235.375 2.093 20 30 BEEDRO N#CCc1cc(C2=C[NH2+]CCC2)ccc1C#N ZINC001243950076 971039652 /nfs/dbraw/zinc/03/96/52/971039652.db2.gz MKXYGGDTVYLUDK-UHFFFAOYSA-N 1 0 223.279 2.349 20 30 BEEDRO C[C@H]1C[NH+](C2CCC(C#N)CC2)C[C@H](C)O1 ZINC001256965446 971044134 /nfs/dbraw/zinc/04/41/34/971044134.db2.gz UKSOAJIGFSFFKG-ZSVAQUKISA-N 1 0 222.332 2.178 20 30 BEEDRO CC[N@H+](CCC#N)C1CCC(C#N)CC1 ZINC001256968761 971042343 /nfs/dbraw/zinc/04/23/43/971042343.db2.gz MAWZMBFROKVYMI-UHFFFAOYSA-N 1 0 205.305 2.304 20 30 BEEDRO N#CC1CCC([N@@H+]2Cc3ccncc3C2)CC1 ZINC001256969213 971042723 /nfs/dbraw/zinc/04/27/23/971042723.db2.gz BEQSKCFFBBIIDW-UHFFFAOYSA-N 1 0 227.311 2.480 20 30 BEEDRO N#CC1CCC([N@@H+]2Cc3cccnc3C2)CC1 ZINC001256965745 971044252 /nfs/dbraw/zinc/04/42/52/971044252.db2.gz YZBKYPKNCIGGRE-UHFFFAOYSA-N 1 0 227.311 2.480 20 30 BEEDRO COCC1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256965391 971044300 /nfs/dbraw/zinc/04/43/00/971044300.db2.gz SLIUPSNPCDICHZ-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO CNc1cc(Nc2ccc(C#N)nc2C)cc[nH+]1 ZINC001216334034 971050036 /nfs/dbraw/zinc/05/00/36/971050036.db2.gz MQWLFARZUVZXHY-UHFFFAOYSA-N 1 0 239.282 2.442 20 30 BEEDRO CCCCN1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256968872 971046780 /nfs/dbraw/zinc/04/67/80/971046780.db2.gz QKUVSHUEXLYABG-UHFFFAOYSA-N 1 0 249.402 2.486 20 30 BEEDRO N#CC1CCC([N@@H+]2CCCCC23COC3)CC1 ZINC001256968991 971046797 /nfs/dbraw/zinc/04/67/97/971046797.db2.gz WBGBHAGUDYBNLC-UHFFFAOYSA-N 1 0 234.343 2.324 20 30 BEEDRO CC(C)OC1C[NH+](C2CCC(C#N)CC2)C1 ZINC001256972211 971050965 /nfs/dbraw/zinc/05/09/65/971050965.db2.gz VABIRTJIHHSSET-UHFFFAOYSA-N 1 0 222.332 2.178 20 30 BEEDRO N#CC1CCC([N@@H+]2CCOC[C@H]2C2CC2)CC1 ZINC001256972138 971048354 /nfs/dbraw/zinc/04/83/54/971048354.db2.gz RHQZCDKQZNRMOT-UBHUBRDASA-N 1 0 234.343 2.180 20 30 BEEDRO C#CC1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256973063 971048368 /nfs/dbraw/zinc/04/83/68/971048368.db2.gz KHUQDSBCBKQGJI-UHFFFAOYSA-N 1 0 216.328 2.414 20 30 BEEDRO CN1CC[N@@H+](C2CCC(C#N)CC2)CC1(C)C ZINC001256973641 971053962 /nfs/dbraw/zinc/05/39/62/971053962.db2.gz VFABCLQBOIWCKS-UHFFFAOYSA-N 1 0 235.375 2.095 20 30 BEEDRO CNc1cc(Nc2c(O)cccc2C#N)cc[nH+]1 ZINC001216338683 971054710 /nfs/dbraw/zinc/05/47/10/971054710.db2.gz SRBNPOCTAVDVSJ-UHFFFAOYSA-N 1 0 240.266 2.444 20 30 BEEDRO CSCC[N@H+](C)CCc1ccc(C#N)cc1 ZINC001208928378 1169509267 /nfs/dbraw/zinc/50/92/67/1169509267.db2.gz BHKFGQQVRPSIBK-UHFFFAOYSA-N 1 0 234.368 2.396 20 30 BEEDRO N#Cc1ccc(CCC[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1 ZINC001208856673 1169510019 /nfs/dbraw/zinc/51/00/19/1169510019.db2.gz PNXWYKUVWLRBSB-GASCZTMLSA-N 1 0 226.323 2.443 20 30 BEEDRO C[C@@H]1CC([NH2+]CC2(C#N)CCC2)C[C@@H](C)O1 ZINC001257069890 971085466 /nfs/dbraw/zinc/08/54/66/971085466.db2.gz ISLYCLMYACABPO-GHMZBOCLSA-N 1 0 222.332 2.226 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C(=O)OCC)C2)C1 ZINC001257063448 971085804 /nfs/dbraw/zinc/08/58/04/971085804.db2.gz HIIKEPHCBXTIAP-MCIONIFRSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)[C@@H](F)CC)C(C)(C)C ZINC001278989717 971092302 /nfs/dbraw/zinc/09/23/02/971092302.db2.gz OKMMQMJNILCSES-WDEREUQCSA-N 1 0 244.354 2.041 20 30 BEEDRO C[C@H]1CC([NH2+]Cc2cc(C#N)co2)C[C@H](C)O1 ZINC001257084458 971094940 /nfs/dbraw/zinc/09/49/40/971094940.db2.gz BNJDNCBVNVYRCF-UWVGGRQHSA-N 1 0 234.299 2.197 20 30 BEEDRO C#CC1CC[NH+](C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001257103292 971115461 /nfs/dbraw/zinc/11/54/61/971115461.db2.gz RAWLNLWLTCXNAW-VXGBXAGGSA-N 1 0 221.344 2.288 20 30 BEEDRO CC#C[C@H](CC)OCCC[NH+]1CCCC1 ZINC001224751322 973915658 /nfs/dbraw/zinc/91/56/58/973915658.db2.gz XSMIXTUTBZPURL-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCCC[N@H+]1C[C@H](CC)OC[C@H]1CC ZINC000404080489 971124090 /nfs/dbraw/zinc/12/40/90/971124090.db2.gz OYYFIAKNYQKTNI-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO CC(C)[NH+]1CCC([NH+]2CCC(CC#N)CC2)CC1 ZINC001257218219 971131615 /nfs/dbraw/zinc/13/16/15/971131615.db2.gz SIFABRDDONMICM-UHFFFAOYSA-N 1 0 249.402 2.485 20 30 BEEDRO CC(C)[NH+]1CCC(N2CC[C@@](C)(C#N)C2)CC1 ZINC001257223874 971133661 /nfs/dbraw/zinc/13/36/61/971133661.db2.gz GUPODXLRJNALNY-AWEZNQCLSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCCC[C@@H]2C#N)CC1 ZINC001257218538 971134673 /nfs/dbraw/zinc/13/46/73/971134673.db2.gz UHAULQZYQXHXFZ-CQSZACIVSA-N 1 0 235.375 2.237 20 30 BEEDRO C[N+](C)(C)CCO[C@H](CC#N)c1ccccc1 ZINC001224775699 973942374 /nfs/dbraw/zinc/94/23/74/973942374.db2.gz MWEGMWHTIKIUAC-CQSZACIVSA-N 1 0 233.335 2.364 20 30 BEEDRO Cn1c[nH+]cc1Nc1ccccc1CC#N ZINC001211250768 1169533106 /nfs/dbraw/zinc/53/31/06/1169533106.db2.gz POXVVQVYMJFRGC-UHFFFAOYSA-N 1 0 212.256 2.230 20 30 BEEDRO CCC[C@@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001257312151 971207372 /nfs/dbraw/zinc/20/73/72/971207372.db2.gz VIBOCHUZDIUSKL-MRVPVSSYSA-N 1 0 209.318 2.293 20 30 BEEDRO C#CC[C@@H](C)OCCC[NH+]1CCCCC1 ZINC001224861576 974032788 /nfs/dbraw/zinc/03/27/88/974032788.db2.gz XUDBOGRMDZYFDE-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001131735930 971255870 /nfs/dbraw/zinc/25/58/70/971255870.db2.gz UFFOOJJOVKBILI-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO N#Cc1csc(C[NH2+]CCC(F)F)c1 ZINC000308566317 971258312 /nfs/dbraw/zinc/25/83/12/971258312.db2.gz HVKLBNCDNZZKLD-UHFFFAOYSA-N 1 0 216.256 2.365 20 30 BEEDRO N#Cc1ccccc1OCC[NH2+]C1CCCC1 ZINC001257346108 971259107 /nfs/dbraw/zinc/25/91/07/971259107.db2.gz MFBBLNVHUXMVFU-UHFFFAOYSA-N 1 0 230.311 2.469 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC)CC[C@@H]1C ZINC001131747607 971260341 /nfs/dbraw/zinc/26/03/41/971260341.db2.gz MMBLYFRIQPFHLC-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@@H+]1C[C@@H](NC(=O)CC(C)C)CC[C@H]1C ZINC001131752610 971266025 /nfs/dbraw/zinc/26/60/25/971266025.db2.gz SBOHHRJYCSKTEI-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCOC(=O)CC[C@H](C)[NH2+]CCC#N ZINC001257377299 971291577 /nfs/dbraw/zinc/29/15/77/971291577.db2.gz ZJDKYARQFMZIIC-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO C[C@@H]1OC[C@@H]([NH2+]Cc2ccc(C#N)cc2)[C@@H]1C ZINC000405609885 971283924 /nfs/dbraw/zinc/28/39/24/971283924.db2.gz MYVXWHWZCVCOOQ-UHIISALHSA-N 1 0 230.311 2.071 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC=C)C1 ZINC001131898826 971288533 /nfs/dbraw/zinc/28/85/33/971288533.db2.gz FYNDJZZKDDJUFV-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(C)(C)C1CCC1 ZINC001131948545 971298771 /nfs/dbraw/zinc/29/87/71/971298771.db2.gz LBXQGEUHVYTRFR-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCC[C@H](CC)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001257417631 971316967 /nfs/dbraw/zinc/31/69/67/971316967.db2.gz FMQCFTQBQQHCHO-RYUDHWBXSA-N 1 0 244.379 2.465 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC)C1 ZINC001132257210 971329569 /nfs/dbraw/zinc/32/95/69/971329569.db2.gz UFPJLTHRDGXTFP-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CC[C@H](C)F ZINC001132304300 971333741 /nfs/dbraw/zinc/33/37/41/971333741.db2.gz MBRQIAVIQAPTSZ-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CC/C=C\CC ZINC001132391844 971344331 /nfs/dbraw/zinc/34/43/31/971344331.db2.gz PRVOLHIWQAJCDQ-FPLPWBNLSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)CC(C)=C(C)C ZINC001132447280 971357477 /nfs/dbraw/zinc/35/74/77/971357477.db2.gz YXMGCNJRVOWTSN-UHFFFAOYSA-N 1 0 244.766 2.191 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)[C@@H](F)CC ZINC001132443982 971358677 /nfs/dbraw/zinc/35/86/77/971358677.db2.gz UWSGJXNVUMQITG-LBPRGKRZSA-N 1 0 246.370 2.411 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC1(C)C ZINC001132535749 971374031 /nfs/dbraw/zinc/37/40/31/971374031.db2.gz YUAROIBQWJYMCS-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]C[C@H](F)CC ZINC001132654082 971395558 /nfs/dbraw/zinc/39/55/58/971395558.db2.gz YKMDCJYLCQSMNF-VXGBXAGGSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC[C@@H](C)F ZINC001132653911 971395623 /nfs/dbraw/zinc/39/56/23/971395623.db2.gz UTPXNHVRTVKKJX-NWDGAFQWSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]C[C@@H](C)CC ZINC001132660110 971395754 /nfs/dbraw/zinc/39/57/54/971395754.db2.gz IZHNIEGBYKTGMH-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]C[C@H](C)CC ZINC001132653547 971397220 /nfs/dbraw/zinc/39/72/20/971397220.db2.gz OIJJYHDXLJLYEK-OLZOCXBDSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CCC(=C)C ZINC001132659957 971397626 /nfs/dbraw/zinc/39/76/26/971397626.db2.gz GBVWFIYIXFCKCE-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CCCCC ZINC001132663022 971399173 /nfs/dbraw/zinc/39/91/73/971399173.db2.gz OAMLKTUZVXHMBF-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CCCCC ZINC001132663023 971399568 /nfs/dbraw/zinc/39/95/68/971399568.db2.gz OAMLKTUZVXHMBF-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C#C[C@H](CC(C)C)OCCCC[NH+](C)C ZINC001224991411 974123936 /nfs/dbraw/zinc/12/39/36/974123936.db2.gz RXICFRLPTHIAHK-CYBMUJFWSA-N 1 0 211.349 2.393 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1OCCc1ccc(C)cc1 ZINC001217830902 971424302 /nfs/dbraw/zinc/42/43/02/971424302.db2.gz IDKKEFBBQGGBPB-HNNXBMFYSA-N 1 0 231.339 2.472 20 30 BEEDRO CCCCC[C@@H](C)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257507999 971424954 /nfs/dbraw/zinc/42/49/54/971424954.db2.gz BICVEZBAUPTFLB-TUAOUCFPSA-N 1 0 244.379 2.465 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1OCCc1ccccc1C ZINC001217833293 971425094 /nfs/dbraw/zinc/42/50/94/971425094.db2.gz UHRSDSQCYFHRMC-HNNXBMFYSA-N 1 0 231.339 2.472 20 30 BEEDRO N#C[C@H](OC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217834814 971426381 /nfs/dbraw/zinc/42/63/81/971426381.db2.gz GCXTWAHFPFOWFL-JSGCOSHPSA-N 1 0 230.311 2.267 20 30 BEEDRO C#C[C@@H](CCCCC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217835114 971430483 /nfs/dbraw/zinc/43/04/83/971430483.db2.gz JIBHIGUTUYUPDN-OLZOCXBDSA-N 1 0 239.359 2.310 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001133058008 971444325 /nfs/dbraw/zinc/44/43/25/971444325.db2.gz UOIPLFUNNOHNIN-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCCC[C@@H]1C ZINC001133063247 971449051 /nfs/dbraw/zinc/44/90/51/971449051.db2.gz XHFDRINMTWELKZ-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170654904 971453054 /nfs/dbraw/zinc/45/30/54/971453054.db2.gz NPVZHSNJMCLYCT-LLVKDONJSA-N 1 0 236.265 2.325 20 30 BEEDRO N#CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170654905 971454403 /nfs/dbraw/zinc/45/44/03/971454403.db2.gz NPVZHSNJMCLYCT-NSHDSACASA-N 1 0 236.265 2.325 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170658387 971458862 /nfs/dbraw/zinc/45/88/62/971458862.db2.gz JBNKVTCMRZJNSU-NSHDSACASA-N 1 0 221.250 2.045 20 30 BEEDRO Fc1cc(F)c2c(c1)CC[C@@H]([NH2+]CCS)C2 ZINC001170660200 971461794 /nfs/dbraw/zinc/46/17/94/971461794.db2.gz UOOBSQKARZCBBD-SNVBAGLBSA-N 1 0 243.322 2.342 20 30 BEEDRO C=CCCCCCO[C@H]1C[NH2+]CC[C@H]1F ZINC001217875868 971472501 /nfs/dbraw/zinc/47/25/01/971472501.db2.gz HQRLAHATYLDDSS-NEPJUHHUSA-N 1 0 215.312 2.449 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673336 971478794 /nfs/dbraw/zinc/47/87/94/971478794.db2.gz MPTKTFNQEHOUKJ-LBPRGKRZSA-N 1 0 235.277 2.435 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+]([C@H]2CCCSC2)C1 ZINC001257683501 971490860 /nfs/dbraw/zinc/49/08/60/971490860.db2.gz NJJMDAAMRLWKQT-QWRGUYRKSA-N 1 0 210.346 2.118 20 30 BEEDRO C=C1CCC(C(=O)NCC[NH2+]CC(C)C)CC1 ZINC001133375796 971503967 /nfs/dbraw/zinc/50/39/67/971503967.db2.gz JCDAFPXAVIVFLC-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC ZINC001133418060 971515530 /nfs/dbraw/zinc/51/55/30/971515530.db2.gz HGNFXRLFEDSOPI-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC ZINC001133422471 971518532 /nfs/dbraw/zinc/51/85/32/971518532.db2.gz DBRJBTOWILPSNB-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C(C)(C)CN)C[C@H](C1)C2 ZINC001257887275 971520558 /nfs/dbraw/zinc/52/05/58/971520558.db2.gz ZTTDCADSPMRRNA-FUNVUKJBSA-N 1 0 222.376 2.448 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC4(COC4)C3)C[C@H](C1)C2 ZINC001257890120 971521041 /nfs/dbraw/zinc/52/10/41/971521041.db2.gz RAYFKLVRJHQZBA-PBWFPOADSA-N 1 0 233.355 2.454 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CC4(CN(C)C4)C3)C[C@H](C1)C2 ZINC001257894506 971526247 /nfs/dbraw/zinc/52/62/47/971526247.db2.gz YBGOGVMNUURHDZ-YIONKMFJSA-N 1 0 246.398 2.369 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@]1(C)CCC[C@@H]1C ZINC001133438400 971529299 /nfs/dbraw/zinc/52/92/99/971529299.db2.gz OOWIFPYZXNLZOK-JSGCOSHPSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133441671 971529364 /nfs/dbraw/zinc/52/93/64/971529364.db2.gz DLIQCAVTVUKNJY-VHSXEESVSA-N 1 0 244.766 2.022 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCC[C@H]1CC ZINC001133443058 971529912 /nfs/dbraw/zinc/52/99/12/971529912.db2.gz MIGRNAWSSWPJBP-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC1 ZINC001133449023 971532911 /nfs/dbraw/zinc/53/29/11/971532911.db2.gz YHBAHQGZMXKWGZ-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO N#Cc1coc(C[NH2+]C2CCC3(COC3)CC2)c1 ZINC001257903553 971533265 /nfs/dbraw/zinc/53/32/65/971533265.db2.gz BURYKSVFJLVZHT-UHFFFAOYSA-N 1 0 246.310 2.200 20 30 BEEDRO N#C[C@H](OC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC001217930233 971537139 /nfs/dbraw/zinc/53/71/39/971537139.db2.gz NRMTZYOHOHNVSY-RISCZKNCSA-N 1 0 248.301 2.407 20 30 BEEDRO C=CC[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257949444 971546591 /nfs/dbraw/zinc/54/65/91/971546591.db2.gz BYMMFSNCSFYIKF-LLVKDONJSA-N 1 0 223.703 2.419 20 30 BEEDRO CC(C)C[NH+]1CCC(NCC2(C#N)CC2)CC1 ZINC001258006855 971554207 /nfs/dbraw/zinc/55/42/07/971554207.db2.gz MKVYEJCCJLKYEG-UHFFFAOYSA-N 1 0 235.375 2.000 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)F ZINC001133474155 971546965 /nfs/dbraw/zinc/54/69/65/971546965.db2.gz QFJFSOWDZWFPQZ-GHMZBOCLSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)F ZINC001133472788 971547206 /nfs/dbraw/zinc/54/72/06/971547206.db2.gz GJOIPJCXFLSTCF-QWRGUYRKSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCc1cccc(O[C@H]2C[NH2+]CC[C@@H]2F)c1 ZINC001217960183 971549482 /nfs/dbraw/zinc/54/94/82/971549482.db2.gz UNQFADKCVOEDIP-KBPBESRZSA-N 1 0 235.302 2.494 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC ZINC001133502486 971549899 /nfs/dbraw/zinc/54/98/99/971549899.db2.gz FWGREHNIVNIYQE-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001133490318 971550619 /nfs/dbraw/zinc/55/06/19/971550619.db2.gz DYPKWQYXYKDPOF-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CCC ZINC001133502487 971551755 /nfs/dbraw/zinc/55/17/55/971551755.db2.gz FWGREHNIVNIYQE-VXGBXAGGSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCC ZINC001133509159 971555286 /nfs/dbraw/zinc/55/52/86/971555286.db2.gz RRQYDYDAWKPMQP-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC ZINC001133509157 971555585 /nfs/dbraw/zinc/55/55/85/971555585.db2.gz RRQYDYDAWKPMQP-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C#CC1([NH2+]C2CCC(CC(=O)OCC)CC2)CC1 ZINC001258025041 971556650 /nfs/dbraw/zinc/55/66/50/971556650.db2.gz KAPPSRHGJHBNKB-UHFFFAOYSA-N 1 0 249.354 2.254 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258023150 971558009 /nfs/dbraw/zinc/55/80/09/971558009.db2.gz UCFPNEVZVKVPEW-PNESKVBLSA-N 1 0 237.343 2.110 20 30 BEEDRO Cc1cc(C#N)cc(O[C@@H]2C[NH2+]CCC[C@@H]2F)c1 ZINC001217977889 971558299 /nfs/dbraw/zinc/55/82/99/971558299.db2.gz OOVGZKNANHFWRL-UONOGXRCSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@@H]2F)ccc1C#N ZINC001217979880 971558613 /nfs/dbraw/zinc/55/86/13/971558613.db2.gz IODDSSIEGQSPJS-KBPBESRZSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cc(C#N)ccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217975286 971558674 /nfs/dbraw/zinc/55/86/74/971558674.db2.gz SDSVLFFJCZPCLP-CYBMUJFWSA-N 1 0 230.311 2.388 20 30 BEEDRO Cc1cccc(O[C@H]2C[NH2+]CCC[C@@H]2F)c1C#N ZINC001217975168 971559463 /nfs/dbraw/zinc/55/94/63/971559463.db2.gz HQBBTIQOIJMJIW-JSGCOSHPSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cccc(O[C@H]2CCCC[NH2+]C2)c1C#N ZINC001217973850 971559585 /nfs/dbraw/zinc/55/95/85/971559585.db2.gz ZOESXFYIIWEKGU-LBPRGKRZSA-N 1 0 230.311 2.388 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC(C)C ZINC001133540430 971560760 /nfs/dbraw/zinc/56/07/60/971560760.db2.gz LWPXSWSXCWGHLB-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CC[N@@H+](C)C1CCC(CC(=O)OCC)CC1 ZINC001258034360 971561327 /nfs/dbraw/zinc/56/13/27/971561327.db2.gz UIBUXXMLCJBNPH-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@H](CO)[C@@H](C)O ZINC001258038025 971561976 /nfs/dbraw/zinc/56/19/76/971561976.db2.gz DTJSISZBOWDZOW-JHJVBQTASA-N 1 0 231.380 2.067 20 30 BEEDRO CCCCCCC[C@H](C)[N@H+](C)C[C@@H](O)CO ZINC001258045191 971562128 /nfs/dbraw/zinc/56/21/28/971562128.db2.gz YHFZFMLPRSWTFN-QWHCGFSZSA-N 1 0 231.380 2.020 20 30 BEEDRO CCCCCCC[C@@H](C)N[C@]([NH3+])(CC)CO ZINC001258040431 971562232 /nfs/dbraw/zinc/56/22/32/971562232.db2.gz CGJQETKDIMHHNT-CHWSQXEVSA-N 1 0 230.396 2.382 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@H](CO)[C@@H](C)O ZINC001258038026 971562568 /nfs/dbraw/zinc/56/25/68/971562568.db2.gz DTJSISZBOWDZOW-YNEHKIRRSA-N 1 0 231.380 2.067 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@@H]1C[NH2+]C[C@@H]1F ZINC001218002090 971565206 /nfs/dbraw/zinc/56/52/06/971565206.db2.gz LLICCIUCYKHIJT-WCQYABFASA-N 1 0 248.301 2.370 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001133590149 971570673 /nfs/dbraw/zinc/57/06/73/971570673.db2.gz GHHATGXMRHSSRQ-CHWSQXEVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001133585122 971571974 /nfs/dbraw/zinc/57/19/74/971571974.db2.gz CDQFBLOWGYUXPF-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCc1ccc(O[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC001218036801 971582231 /nfs/dbraw/zinc/58/22/31/971582231.db2.gz YCIPJBOBAQZLTQ-BXUZGUMPSA-N 1 0 217.312 2.402 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001133658750 971583230 /nfs/dbraw/zinc/58/32/30/971583230.db2.gz SNWPHTZPYAVZGU-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001133658748 971584696 /nfs/dbraw/zinc/58/46/96/971584696.db2.gz SNWPHTZPYAVZGU-NEPJUHHUSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133764685 971595199 /nfs/dbraw/zinc/59/51/99/971595199.db2.gz KFXUUYCEUKDCGV-CHWSQXEVSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133764688 971595278 /nfs/dbraw/zinc/59/52/78/971595278.db2.gz KFXUUYCEUKDCGV-STQMWFEESA-N 1 0 240.391 2.482 20 30 BEEDRO C[N@@H+]1CCC[C@H](Oc2ccc(F)cc2C#N)C1 ZINC001227023709 1169618705 /nfs/dbraw/zinc/61/87/05/1169618705.db2.gz JETGKRSEGHTBDJ-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C=CCc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218184013 971620970 /nfs/dbraw/zinc/62/09/70/971620970.db2.gz XYMNZNLSYRYPSV-ZDUSSCGKSA-N 1 0 203.285 2.156 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(OCC)cc1 ZINC001218204472 971626778 /nfs/dbraw/zinc/62/67/78/971626778.db2.gz QFUDNDWWKXNMQN-CQSZACIVSA-N 1 0 233.311 2.382 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1c(C)cc(C#N)cc1C ZINC001218203688 971626801 /nfs/dbraw/zinc/62/68/01/971626801.db2.gz HTGUJHXVSSIDRG-AWEZNQCLSA-N 1 0 242.322 2.472 20 30 BEEDRO CCc1cccc(CC)c1O[C@@H]1C[NH2+]C[C@H]1C#N ZINC001218201479 971627578 /nfs/dbraw/zinc/62/75/78/971627578.db2.gz RQEWDBSGHMDNFP-ZIAGYGMSSA-N 1 0 244.338 2.302 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1ccc(OCC)cc1 ZINC001218204469 971627791 /nfs/dbraw/zinc/62/77/91/971627791.db2.gz QFUDNDWWKXNMQN-AWEZNQCLSA-N 1 0 233.311 2.382 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc2c(c1)CCCN2 ZINC001218208015 971629254 /nfs/dbraw/zinc/62/92/54/971629254.db2.gz VGBTXTSWWPVZLU-OAHLLOKOSA-N 1 0 244.338 2.342 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC001330558624 974306793 /nfs/dbraw/zinc/30/67/93/974306793.db2.gz GQKQWBQIPJJISF-ZIAGYGMSSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C=C\C1CC1 ZINC001134017274 971639560 /nfs/dbraw/zinc/63/95/60/971639560.db2.gz BIQUTYWXBHDAOE-PKJDGDQJSA-N 1 0 236.359 2.012 20 30 BEEDRO C=C[C@H](CC)Oc1ccc(N2CC[NH2+]CC2)cc1 ZINC001218290936 971684380 /nfs/dbraw/zinc/68/43/80/971684380.db2.gz LVTCLCZNNGHBLW-CQSZACIVSA-N 1 0 246.354 2.440 20 30 BEEDRO COc1cc(C#N)cc(C)c1O[C@@H]1CCC[NH2+]C1 ZINC001218288593 971685510 /nfs/dbraw/zinc/68/55/10/971685510.db2.gz ZMAKXHXLBWBXGV-GFCCVEGCSA-N 1 0 246.310 2.006 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)C[C@@H](C)[NH2+]C(C)C ZINC001134250842 971687534 /nfs/dbraw/zinc/68/75/34/971687534.db2.gz BNPOTNIOXCPLMK-CHWSQXEVSA-N 1 0 238.375 2.071 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([NH2+]Cc3ccc(C#N)nc3)C[C@@H]21 ZINC001170738821 971689996 /nfs/dbraw/zinc/68/99/96/971689996.db2.gz OXRVVSAMXSAANF-ZSOGYDGISA-N 1 0 241.338 2.477 20 30 BEEDRO CC1(C)[C@@H]2C[C@@H]([NH+]3CC(CC#N)C3)C[C@@H]21 ZINC001170741854 971696931 /nfs/dbraw/zinc/69/69/31/971696931.db2.gz XEDZBMJVRNWEQI-CNDDSTCGSA-N 1 0 204.317 2.266 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C=C(/C)CC ZINC001134285332 971698389 /nfs/dbraw/zinc/69/83/89/971698389.db2.gz QFNUVAAURSEMSK-IHOFHSRRSA-N 1 0 238.375 2.402 20 30 BEEDRO C#CC[N@@H+](CCCOC(F)(F)F)CC1CC1 ZINC001330654362 974376755 /nfs/dbraw/zinc/37/67/55/974376755.db2.gz HQNVRNGENJCBEO-UHFFFAOYSA-N 1 0 235.249 2.258 20 30 BEEDRO CCC#C[C@@H](C)Oc1cccc(C[NH3+])c1 ZINC001218315614 971704411 /nfs/dbraw/zinc/70/44/11/971704411.db2.gz IIBJIAKVFKKFFJ-LLVKDONJSA-N 1 0 203.285 2.326 20 30 BEEDRO C#CC[C@H](C)Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218317369 971707325 /nfs/dbraw/zinc/70/73/25/971707325.db2.gz MGMQSQOFFMEIQR-NSHDSACASA-N 1 0 229.323 2.431 20 30 BEEDRO C=C[C@H](CCC)Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218336528 971716332 /nfs/dbraw/zinc/71/63/32/971716332.db2.gz RFGLCCUEBKPMQS-GFCCVEGCSA-N 1 0 232.327 2.461 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]C/C=C/Cl ZINC001134428442 971722148 /nfs/dbraw/zinc/72/21/48/971722148.db2.gz NJMDEJRPJUJYOB-FNORWQNLSA-N 1 0 244.766 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001134421383 971722899 /nfs/dbraw/zinc/72/28/99/971722899.db2.gz FWTLJFRBSLFDTM-VXGBXAGGSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC=C(C)C ZINC001134411749 971723654 /nfs/dbraw/zinc/72/36/54/971723654.db2.gz DOKTVNQMYWNLQM-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1cc[nH]c1 ZINC001134427365 971723796 /nfs/dbraw/zinc/72/37/96/971723796.db2.gz OKHTYFFEJFMCDM-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1(C)CC1 ZINC001134434821 971726324 /nfs/dbraw/zinc/72/63/24/971726324.db2.gz KFRBVYPBYFRGEZ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@@H](C)CCCCC ZINC001134824743 971795527 /nfs/dbraw/zinc/79/55/27/971795527.db2.gz ULRCDHPWSSQZGH-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1cccc(N)c1 ZINC001218452627 971821927 /nfs/dbraw/zinc/82/19/27/971821927.db2.gz ZMWMDSQXZPDWFC-ZIAGYGMSSA-N 1 0 232.327 2.344 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C#N)cc2C)C1 ZINC001230682744 1169671126 /nfs/dbraw/zinc/67/11/26/1169671126.db2.gz QJJMQEZORZTYPV-CYBMUJFWSA-N 1 0 230.311 2.340 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCF ZINC001135203523 971846550 /nfs/dbraw/zinc/84/65/50/971846550.db2.gz OCVHNLCBCZQXEZ-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@@H](COC)C2)c1 ZINC001231658425 1169678496 /nfs/dbraw/zinc/67/84/96/1169678496.db2.gz WGANDPPALIBAKD-OAHLLOKOSA-N 1 0 229.323 2.136 20 30 BEEDRO N#CCc1ccc(F)cc1-c1ccncc1C[NH3+] ZINC001245561069 971866638 /nfs/dbraw/zinc/86/66/38/971866638.db2.gz YSLKJDBKDWDXEP-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)(F)F ZINC001135402594 971889026 /nfs/dbraw/zinc/88/90/26/971889026.db2.gz OPZDRIQZGWSEHS-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccn1 ZINC001232480189 1169684009 /nfs/dbraw/zinc/68/40/09/1169684009.db2.gz NELIIGNEVZPQFH-CYBMUJFWSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC1 ZINC001172292714 974560730 /nfs/dbraw/zinc/56/07/30/974560730.db2.gz QQIFKGVCNAZPFN-NSHDSACASA-N 1 0 214.312 2.489 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCCOCC2)C1 ZINC001170827984 971931737 /nfs/dbraw/zinc/93/17/37/971931737.db2.gz QGWMKSXMJZEQHS-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC[C@H](C)CC ZINC001135615766 971940698 /nfs/dbraw/zinc/94/06/98/971940698.db2.gz VIBDFCSERYLOQQ-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC[C@H](C)CC ZINC001135615693 971943943 /nfs/dbraw/zinc/94/39/43/971943943.db2.gz SOUZSRUIDPPGOS-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2CCCOCC2)CC1 ZINC001170830268 971948280 /nfs/dbraw/zinc/94/82/80/971948280.db2.gz CAYAYFJVFBNCJY-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCC(F)F ZINC000310488763 971974234 /nfs/dbraw/zinc/97/42/34/971974234.db2.gz NPXKPFYBZBQYBQ-UHFFFAOYSA-N 1 0 239.265 2.443 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC(CC)CC ZINC001135847410 971978730 /nfs/dbraw/zinc/97/87/30/971978730.db2.gz RCHVLJQYEAQUID-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@](C)(CC)CCC ZINC001135843509 971978986 /nfs/dbraw/zinc/97/89/86/971978986.db2.gz TXQQIZPYTGQHAB-CYBMUJFWSA-N 1 0 226.364 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224.348 2.426 20 30 BEEDRO N#Cc1cc(F)cc(-c2ccc(C[NH3+])nc2)c1 ZINC001241657947 1169737036 /nfs/dbraw/zinc/73/70/36/1169737036.db2.gz QANGOQHKFXZAAI-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C[C@H](C)CCC ZINC001266262196 956895214 /nfs/dbraw/zinc/89/52/14/956895214.db2.gz JSKQMWTXTJYEQA-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C[C@@H](C)CCC ZINC001266262197 956895449 /nfs/dbraw/zinc/89/54/49/956895449.db2.gz JSKQMWTXTJYEQA-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CC1CCC1 ZINC001125276488 956902983 /nfs/dbraw/zinc/90/29/83/956902983.db2.gz KPIRZUNOGBRXAM-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CN(CC)c1cc(N(C)C)[nH+]c(C)n1 ZINC001167049872 956903645 /nfs/dbraw/zinc/90/36/45/956903645.db2.gz KDWSJTOMJZUYBH-UHFFFAOYSA-N 1 0 234.347 2.253 20 30 BEEDRO CCCNc1cc(C)[nH+]c(NCCCS)n1 ZINC001171000134 972225392 /nfs/dbraw/zinc/22/53/92/972225392.db2.gz YGDHVBSEJOFUJA-UHFFFAOYSA-N 1 0 240.376 2.339 20 30 BEEDRO C=C[C@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710931210 956957197 /nfs/dbraw/zinc/95/71/97/956957197.db2.gz ZXODVQQMDSBFRK-JTQLQIEISA-N 1 0 240.347 2.017 20 30 BEEDRO C=C1CCC(CNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000724464255 956974437 /nfs/dbraw/zinc/97/44/37/956974437.db2.gz IPJBJUVVZYZNCA-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO CCC#C[C@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC001167062470 957039387 /nfs/dbraw/zinc/03/93/87/957039387.db2.gz KKBIMBWBMXTXSF-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2c(Cl)cccc2C1 ZINC001171014107 972242496 /nfs/dbraw/zinc/24/24/96/972242496.db2.gz SVLODESJSKSNNB-NSHDSACASA-N 1 0 219.715 2.420 20 30 BEEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000705329586 957118885 /nfs/dbraw/zinc/11/88/85/957118885.db2.gz AKCSNTOGHIAUDR-MFKMUULPSA-N 1 0 248.301 2.043 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000234766851 957170072 /nfs/dbraw/zinc/17/00/72/957170072.db2.gz AJOYGLFLSGFHPQ-QWHCGFSZSA-N 1 0 209.333 2.337 20 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C#CCCC[N@@H+]1CCCN(c2cccnc2)CC1 ZINC001209268142 957374585 /nfs/dbraw/zinc/37/45/85/957374585.db2.gz VFNIYSJCWDCMDU-UHFFFAOYSA-N 1 0 243.354 2.007 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](Oc2ncccc2C)C1 ZINC001209268033 957377244 /nfs/dbraw/zinc/37/72/44/957377244.db2.gz QDLJGGIJEUBTMG-CQSZACIVSA-N 1 0 244.338 2.257 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)c1ccccc1C ZINC001266371691 957397618 /nfs/dbraw/zinc/39/76/18/957397618.db2.gz HIFJCNKQPFQPPB-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)[C@@H](C)C1CC1 ZINC001266383713 957418294 /nfs/dbraw/zinc/41/82/94/957418294.db2.gz UYNMZEUSSJMQBV-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)/C=C(\C)CC ZINC001266387772 957423890 /nfs/dbraw/zinc/42/38/90/957423890.db2.gz GBZISZQREPYPNY-JLHYYAGUSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCCCC[NH+]1CC(C2COC2)C1 ZINC001209423256 957443398 /nfs/dbraw/zinc/44/33/98/957443398.db2.gz KMKQZAIQFOKHMC-UHFFFAOYSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)OC(C)C)C1 ZINC000705896445 957537862 /nfs/dbraw/zinc/53/78/62/957537862.db2.gz XOLREKAXBFOONU-LBPRGKRZSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](C)CC ZINC001266457880 957592566 /nfs/dbraw/zinc/59/25/66/957592566.db2.gz OECXYIKAEPSHNX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc2c1OCC2 ZINC000693067568 957645848 /nfs/dbraw/zinc/64/58/48/957645848.db2.gz QDDHIOPVUSXVBC-AWEZNQCLSA-N 1 0 247.338 2.038 20 30 BEEDRO C[N@H+](CCC#N)C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000693100075 957666567 /nfs/dbraw/zinc/66/65/67/957666567.db2.gz FEONWHZPRBNZIR-ILWJIGKKSA-N 1 0 214.259 2.123 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000693107768 957681395 /nfs/dbraw/zinc/68/13/95/957681395.db2.gz XYQWZYOKTDDDCY-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO CCOCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC001172406573 974664070 /nfs/dbraw/zinc/66/40/70/974664070.db2.gz MZOBLARODGKNGD-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCCCCCCN1CC[NH2+]C[C@@H](F)C1 ZINC001210582006 957806910 /nfs/dbraw/zinc/80/69/10/957806910.db2.gz WAICPZBASUEDAI-CYBMUJFWSA-N 1 0 228.355 2.366 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)CC1CC1 ZINC001266553454 957810532 /nfs/dbraw/zinc/81/05/32/957810532.db2.gz DFHJYIQLRRNIIZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H]1CC(=O)C=C(Nc2cc[nH+]c(N(C)C)c2)C1 ZINC001210769398 957869414 /nfs/dbraw/zinc/86/94/14/957869414.db2.gz QUYSQRQBALRHHV-SNVBAGLBSA-N 1 0 245.326 2.442 20 30 BEEDRO C=CC[N@@H+](CCNC(=O)/C=C(\C)CC)C1CC1 ZINC001266591103 957932867 /nfs/dbraw/zinc/93/28/67/957932867.db2.gz ZMYYYHPGRCSVOY-VAWYXSNFSA-N 1 0 236.359 2.109 20 30 BEEDRO COCCC(C)(C)[NH2+]CC#Cc1ccccc1 ZINC000398047183 958016850 /nfs/dbraw/zinc/01/68/50/958016850.db2.gz CKEQWTUCQYFQLA-UHFFFAOYSA-N 1 0 231.339 2.443 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)CC=C)C1 ZINC001266624877 958072071 /nfs/dbraw/zinc/07/20/71/958072071.db2.gz QLRQVTLKWAMQCM-HAQNSBGRSA-N 1 0 236.359 2.012 20 30 BEEDRO COc1c[nH+]ccc1Nc1cccc(C)c1C#N ZINC001211259727 958123893 /nfs/dbraw/zinc/12/38/93/958123893.db2.gz FEOJDQASYATZIY-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=CCCOCC[NH2+]C1CC(SC)C1 ZINC000706744800 958177542 /nfs/dbraw/zinc/17/75/42/958177542.db2.gz JQRRSEZKOKYJCG-UHFFFAOYSA-N 1 0 215.362 2.063 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@H]1CNC(=O)C1 ZINC000398439621 958262759 /nfs/dbraw/zinc/26/27/59/958262759.db2.gz HZTFJTWTZYLOBK-OLZOCXBDSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC(CC)CC)C1 ZINC001266721197 958310772 /nfs/dbraw/zinc/31/07/72/958310772.db2.gz LTTLJQWHZHAHIM-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001137037459 972337575 /nfs/dbraw/zinc/33/75/75/972337575.db2.gz APWUBTCLZMKCNV-GFCCVEGCSA-N 1 0 245.326 2.216 20 30 BEEDRO CCNC(NCC1CCC(F)(F)CC1)=[NH+]CC ZINC000693388812 958353058 /nfs/dbraw/zinc/35/30/58/958353058.db2.gz DYEPAKNJKPKBKN-UHFFFAOYSA-N 1 0 247.333 2.387 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000308260107 958365296 /nfs/dbraw/zinc/36/52/96/958365296.db2.gz MYEFUJIZJXVDKC-VHSXEESVSA-N 1 0 203.713 2.286 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)CC[NH2+]CC1CC1 ZINC001266798475 958400794 /nfs/dbraw/zinc/40/07/94/958400794.db2.gz RJVXJXHKKQVTMO-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C=C(\C)CC)[C@@H]2C1 ZINC001221528770 972346560 /nfs/dbraw/zinc/34/65/60/972346560.db2.gz ZBELUOSYEPNDGL-DBLGQFABSA-N 1 0 248.370 2.061 20 30 BEEDRO Cc1nc(N(C)C)cc(NCC#CC(C)(C)C)[nH+]1 ZINC001160393175 972349793 /nfs/dbraw/zinc/34/97/93/972349793.db2.gz SYPYAIFLIVCJSU-UHFFFAOYSA-N 1 0 246.358 2.312 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)c1ccc(C)cc1C ZINC001266989809 958707957 /nfs/dbraw/zinc/70/79/57/958707957.db2.gz RKZIGPIHDDTPQU-ZDUSSCGKSA-N 1 0 246.354 2.197 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CCCC(C)(C)C#N ZINC000724154621 958744557 /nfs/dbraw/zinc/74/45/57/958744557.db2.gz CQLYFZZJWVZGJH-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)[C@]2(C)C=CCC2)C1 ZINC001267014949 958751149 /nfs/dbraw/zinc/75/11/49/958751149.db2.gz GALMCVGERRNQDD-DZGCQCFKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC)C1 ZINC001267072696 958828906 /nfs/dbraw/zinc/82/89/06/958828906.db2.gz HQSSHSOXMJRROC-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000934389642 958885933 /nfs/dbraw/zinc/88/59/33/958885933.db2.gz BIDVZILOBBPIPT-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@@H]1CC[C@@H](C)C1 ZINC001167598414 959011192 /nfs/dbraw/zinc/01/11/92/959011192.db2.gz YSRQEMKBUHCYJT-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1[nH]nc2c1COCC2 ZINC000934642753 959069436 /nfs/dbraw/zinc/06/94/36/959069436.db2.gz PJFBIOARNZHCOH-UHFFFAOYSA-N 1 0 249.358 2.271 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)C1CCCCC1 ZINC001267183688 959075997 /nfs/dbraw/zinc/07/59/97/959075997.db2.gz YDLCFYRSQYIEPE-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CC(=O)NCC[PH+](C(C)C)C(C)C ZINC001143912804 972399705 /nfs/dbraw/zinc/39/97/05/972399705.db2.gz HWKUINIUSBNUIQ-UHFFFAOYSA-N 1 0 213.261 2.035 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C ZINC001267211140 959186690 /nfs/dbraw/zinc/18/66/90/959186690.db2.gz BANLUWZWNQUGCT-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO N#C[C@@H]1CC=C(c2ccc(C[NH3+])nc2)CC1 ZINC001243793496 1169764336 /nfs/dbraw/zinc/76/43/36/1169764336.db2.gz BWLGGTGHWVTLOM-SNVBAGLBSA-N 1 0 213.284 2.247 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@H](CC)CCC ZINC001267224490 959229950 /nfs/dbraw/zinc/22/99/50/959229950.db2.gz FDTFQGBBWHATMU-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO CC#CC[N@@H+](C)CCNC(=O)CCCCCC ZINC001267229162 959241413 /nfs/dbraw/zinc/24/14/13/959241413.db2.gz BXWIYLFCFKCXLS-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccsc1 ZINC000717739033 959321884 /nfs/dbraw/zinc/32/18/84/959321884.db2.gz JYSOKTXISSMEOG-AAEUAGOBSA-N 1 0 237.368 2.043 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405108011 959388689 /nfs/dbraw/zinc/38/86/89/959388689.db2.gz ZJPMKBGBYYWAHS-LLVKDONJSA-N 1 0 222.332 2.085 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCC23CCCC3)c1 ZINC000721572372 959573805 /nfs/dbraw/zinc/57/38/05/959573805.db2.gz NLSFIBIARWRVQR-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC001351410315 959610929 /nfs/dbraw/zinc/61/09/29/959610929.db2.gz AATSSGHMHDIVKI-HBNTYKKESA-N 1 0 249.276 2.440 20 30 BEEDRO CCCCCCCCO[C@@H]1C[NH2+]C[C@H]1C#N ZINC001217833742 959627869 /nfs/dbraw/zinc/62/78/69/959627869.db2.gz SVXUZMRFIOSVCD-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO C#C[C@H](OC[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217862406 959682262 /nfs/dbraw/zinc/68/22/62/959682262.db2.gz OQOVUODNEGIHLY-ZFWWWQNUSA-N 1 0 229.323 2.377 20 30 BEEDRO C=CCn1cc(-c2cc(N)c(C)c[nH+]2)cn1 ZINC001222379208 972449653 /nfs/dbraw/zinc/44/96/53/972449653.db2.gz UISBICGAEKWQMN-UHFFFAOYSA-N 1 0 214.272 2.022 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1ccccn1 ZINC000694083759 959719901 /nfs/dbraw/zinc/71/99/01/959719901.db2.gz RALYPOSZPVJDNZ-GFCCVEGCSA-N 1 0 202.301 2.016 20 30 BEEDRO C=CC[C@@H](OC[C@@H]1COC(C)(C)[NH2+]1)C(C)C ZINC001217925401 959771795 /nfs/dbraw/zinc/77/17/95/959771795.db2.gz ORECQJPJKPUKDJ-VXGBXAGGSA-N 1 0 227.348 2.328 20 30 BEEDRO C=C[C@@H](CCCC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217931151 959782188 /nfs/dbraw/zinc/78/21/88/959782188.db2.gz RDHXGKSDTCRFGS-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CCn1cc(-c2ccc3[nH+]c(N)[nH]c3c2)cn1 ZINC001222396396 972457107 /nfs/dbraw/zinc/45/71/07/972457107.db2.gz XVPDWIBCQFVGPN-UHFFFAOYSA-N 1 0 239.282 2.195 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+][C@H](C)C2)cc(C)c1C#N ZINC001218037004 959842020 /nfs/dbraw/zinc/84/20/20/959842020.db2.gz IWJJLXKBPNUYFX-DGCLKSJQSA-N 1 0 230.311 2.304 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@@H](C)[NH2+]CC(=C)C ZINC001283663289 959863206 /nfs/dbraw/zinc/86/32/06/959863206.db2.gz BONYPITYBGOZPF-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cnc2c(c1)CCCC2 ZINC001218207790 959891650 /nfs/dbraw/zinc/89/16/50/959891650.db2.gz UGNRYKVDSFLNBT-OAHLLOKOSA-N 1 0 244.338 2.257 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)CCO1 ZINC000300719197 959921477 /nfs/dbraw/zinc/92/14/77/959921477.db2.gz AUFLIUWGYDRRMI-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@@H]1CC(C[N@@H+]2CC[C@@](C)(C#N)C2)C[C@@H](C)O1 ZINC000724869150 959921138 /nfs/dbraw/zinc/92/11/38/959921138.db2.gz XYJHKIXUPAVEMA-BZPMIXESSA-N 1 0 236.359 2.426 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000309606724 959966003 /nfs/dbraw/zinc/96/60/03/959966003.db2.gz YBQPIHOHLOGTNA-CHWSQXEVSA-N 1 0 221.344 2.073 20 30 BEEDRO Cc1c(C#N)cccc1-c1ccnc(C[NH3+])c1 ZINC001244817481 1169774508 /nfs/dbraw/zinc/77/45/08/1169774508.db2.gz JIVLXVLLTPVLHH-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@@H]1CCO ZINC000694931948 960042733 /nfs/dbraw/zinc/04/27/33/960042733.db2.gz RIRTUJMBTUHCKH-ZDUSSCGKSA-N 1 0 229.364 2.040 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)C/C=C(/C)C=C)C1 ZINC001481105528 960067455 /nfs/dbraw/zinc/06/74/55/960067455.db2.gz KVMRMQGOVSVPJH-XMRSSTEGSA-N 1 0 248.370 2.133 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)CC(C)(C)C)C1 ZINC001267636848 960154158 /nfs/dbraw/zinc/15/41/58/960154158.db2.gz MIGXETFEMNHKOW-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C#N)CCC#N ZINC001353277345 960211890 /nfs/dbraw/zinc/21/18/90/960211890.db2.gz KIMHPEGBQUYMQY-QWHCGFSZSA-N 1 0 242.326 2.046 20 30 BEEDRO C#CCCCNC(=[NH2+])Nc1cccc(CC)c1 ZINC000178586070 960236258 /nfs/dbraw/zinc/23/62/58/960236258.db2.gz OZKIVZUWCZOREB-UHFFFAOYSA-N 1 0 229.327 2.389 20 30 BEEDRO Cc1ncoc1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001141053038 960268262 /nfs/dbraw/zinc/26/82/62/960268262.db2.gz ZILIPSDLQXPECC-CNDDSTCGSA-N 1 0 231.299 2.250 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@H]1CC[C@H](C)C1 ZINC001481268474 960363771 /nfs/dbraw/zinc/36/37/71/960363771.db2.gz XUEZQRYOWDNWCS-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[C@@H](C)C(=O)N(C(N)=[NH2+])c1ccccc1F ZINC001144027950 972498765 /nfs/dbraw/zinc/49/87/65/972498765.db2.gz SOADUWSRTYTZPM-SECBINFHSA-N 1 0 249.289 2.264 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000695780494 960455648 /nfs/dbraw/zinc/45/56/48/960455648.db2.gz UOHUWTFINHDTFW-GRYCIOLGSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC[NH2+]C[C@]1(NC(=O)CC)CCCC[C@H]1C ZINC001267867455 960457607 /nfs/dbraw/zinc/45/76/07/960457607.db2.gz GAQDKWPEJWYBJB-TZMCWYRMSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000695813413 960490999 /nfs/dbraw/zinc/49/09/99/960490999.db2.gz AIIRQUHPEXYBAU-IJLUTSLNSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCSC1 ZINC000695888899 960565285 /nfs/dbraw/zinc/56/52/85/960565285.db2.gz XHZBNHWNAPQTPA-NXEZZACHSA-N 1 0 212.362 2.410 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NCC(C)(C)C#N)cc1 ZINC001327254959 972519832 /nfs/dbraw/zinc/51/98/32/972519832.db2.gz GCCKPZXIKDKUMN-UHFFFAOYSA-N 1 0 230.315 2.481 20 30 BEEDRO C#CCCCCC(=O)NCC[NH2+]CCCCC ZINC001125945473 960652121 /nfs/dbraw/zinc/65/21/21/960652121.db2.gz MQAUQGWZRRBHEX-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C#CCN(C)Cc1ccc(N(C)C)cc1Cl ZINC001140924688 960695962 /nfs/dbraw/zinc/69/59/62/960695962.db2.gz MLVGWFDRLHTMRR-UHFFFAOYSA-N 1 0 236.746 2.471 20 30 BEEDRO C[C@H]([NH3+])[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccccc1 ZINC000925702899 960700713 /nfs/dbraw/zinc/70/07/13/960700713.db2.gz FTIYCVMCSSRVHH-VIRABCJISA-N 1 0 243.354 2.357 20 30 BEEDRO C[NH+]1CCC(OC2CCC(C#N)CC2)CC1 ZINC001222504013 972527022 /nfs/dbraw/zinc/52/70/22/972527022.db2.gz MRBYRCVWLGIWAI-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC001140949848 960739943 /nfs/dbraw/zinc/73/99/43/960739943.db2.gz NECUVTBZJYZVIT-UHFFFAOYSA-N 1 0 246.354 2.004 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](CCNC(=O)CC)C1 ZINC001481412918 960853774 /nfs/dbraw/zinc/85/37/74/960853774.db2.gz GXSMYSNUOORZOU-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](Cc2cc(O)ccc2O)CC1 ZINC001141160189 960896622 /nfs/dbraw/zinc/89/66/22/960896622.db2.gz SSWITAICKQQEPB-NSHDSACASA-N 1 0 246.310 2.223 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1ccc(F)cc1C#N ZINC001141163182 960904652 /nfs/dbraw/zinc/90/46/52/960904652.db2.gz TYRXGUFWRLVTNI-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925771182 961063096 /nfs/dbraw/zinc/06/30/96/961063096.db2.gz LIXCYLCJORSXCJ-QWRGUYRKSA-N 1 0 219.332 2.354 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)/C(C)=C/CC ZINC001268055607 961090594 /nfs/dbraw/zinc/09/05/94/961090594.db2.gz SVUGLVZHUMPJSY-YQCJOKCJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C1CCC1 ZINC001268071423 961128104 /nfs/dbraw/zinc/12/81/04/961128104.db2.gz OSUZWGPJIOTVGI-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)CCC(F)F ZINC001268075893 961128326 /nfs/dbraw/zinc/12/83/26/961128326.db2.gz VNOIYVOKHOCMSQ-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)CCC(C)(F)F ZINC001268071154 961134273 /nfs/dbraw/zinc/13/42/73/961134273.db2.gz NNTINCZLEZHYCC-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO CSc1nc(C[NH+]2CCCC2)ccc1C#N ZINC001141928890 961180892 /nfs/dbraw/zinc/18/08/92/961180892.db2.gz BZYZVLJYWUPWAT-UHFFFAOYSA-N 1 0 233.340 2.271 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C ZINC001268114254 961243902 /nfs/dbraw/zinc/24/39/02/961243902.db2.gz SPYZQEJUGQEPKJ-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)C[C@@H](C)CC ZINC001126317692 961263701 /nfs/dbraw/zinc/26/37/01/961263701.db2.gz WYHUNFWNZVOEKS-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC001268131781 961269155 /nfs/dbraw/zinc/26/91/55/961269155.db2.gz VREDRVJADDDQFC-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]C(C)C)[C@@H](C)C1 ZINC001268131782 961270162 /nfs/dbraw/zinc/27/01/62/961270162.db2.gz VREDRVJADDDQFC-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC[S@@](C)=O ZINC000692215756 961348663 /nfs/dbraw/zinc/34/86/63/961348663.db2.gz SEWIDJIHMLGKRR-TYNCELHUSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)CCC(=C)C)C(C)C ZINC001268214433 961433147 /nfs/dbraw/zinc/43/31/47/961433147.db2.gz UITQFYRNELFXOK-CYBMUJFWSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@@H](OC)CC2)cn1 ZINC001139772997 961496721 /nfs/dbraw/zinc/49/67/21/961496721.db2.gz WWWINRVTVOCCSM-CQSZACIVSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC1 ZINC001481676984 961548811 /nfs/dbraw/zinc/54/88/11/961548811.db2.gz VDIXAJNQKWBXPL-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001481685720 961567316 /nfs/dbraw/zinc/56/73/16/961567316.db2.gz QYCVKHADEDWLSV-WHGQRRHOSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CCC(=O)NC1C[NH+](C[C@@H](C)CC)C1 ZINC001268310079 961582636 /nfs/dbraw/zinc/58/26/36/961582636.db2.gz CMMUUEIYVOPAFA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(Cl)cn1 ZINC001167900768 961594980 /nfs/dbraw/zinc/59/49/80/961594980.db2.gz AGWZQBBFDKSCNP-DIYOJNKTSA-N 1 0 235.718 2.239 20 30 BEEDRO C[C@H](C[N+](C)(C)C)O[C@H](C#N)c1ccccc1 ZINC001223709237 961620705 /nfs/dbraw/zinc/62/07/05/961620705.db2.gz KAMYURBZROQAIH-TZMCWYRMSA-N 1 0 233.335 2.363 20 30 BEEDRO C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H](C)CC ZINC001268345120 961635202 /nfs/dbraw/zinc/63/52/02/961635202.db2.gz LZFOVEYLZXOGOH-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)CC(C)(C)C=C ZINC001268369825 961678271 /nfs/dbraw/zinc/67/82/71/961678271.db2.gz DFIUOVZIBRRIIF-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO COC[C@@H](C)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237166053 961715204 /nfs/dbraw/zinc/71/52/04/961715204.db2.gz QQMPWZKPFASCPO-NEPJUHHUSA-N 1 0 248.326 2.102 20 30 BEEDRO N#CC1CC[NH+](Cc2ccnc3[nH]ccc32)CC1 ZINC001142866446 961807108 /nfs/dbraw/zinc/80/71/08/961807108.db2.gz IFPWJJOUOXIUIA-UHFFFAOYSA-N 1 0 240.310 2.298 20 30 BEEDRO COCC[N@H+](C)Cc1c[nH]c2cc(C#N)ccc12 ZINC001142911886 961823945 /nfs/dbraw/zinc/82/39/45/961823945.db2.gz MUHMBYOBEJKZRC-UHFFFAOYSA-N 1 0 243.310 2.118 20 30 BEEDRO C=CCCC(=O)NC[C@@H](CC)[NH2+]CC1CCC1 ZINC001481795155 961832206 /nfs/dbraw/zinc/83/22/06/961832206.db2.gz QMWOXYWTYLUQJK-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@@H](C)C1CCC1 ZINC001268458078 961836400 /nfs/dbraw/zinc/83/64/00/961836400.db2.gz DBCCEKPTDBOGIW-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](C)Cc1c(C)cc(OC)cc1C ZINC001142935208 961837286 /nfs/dbraw/zinc/83/72/86/961837286.db2.gz TUZCEDCIDCDZEU-UHFFFAOYSA-N 1 0 217.312 2.377 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)C1CC1 ZINC001268502097 961883947 /nfs/dbraw/zinc/88/39/47/961883947.db2.gz ITYHBWOJOATNRJ-FYJFLYSWSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)C1CC1 ZINC001268502096 961885992 /nfs/dbraw/zinc/88/59/92/961885992.db2.gz ITYHBWOJOATNRJ-FOQNGQEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC[NH2+]CC[C@H]1CCCN(C(C)=O)C1 ZINC001481964842 961888897 /nfs/dbraw/zinc/88/88/97/961888897.db2.gz TZYYLNLISWLNLH-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000686684953 961957795 /nfs/dbraw/zinc/95/77/95/961957795.db2.gz QGPWLQVLVVGSCS-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCCC[NH+](CCC)CC(=O)OC ZINC000686686762 961971660 /nfs/dbraw/zinc/97/16/60/961971660.db2.gz DYFMQPAPGXUXPE-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO N#Cc1ccc(CN2CCCC[C@H](C[NH3+])C2)s1 ZINC001206632650 962139670 /nfs/dbraw/zinc/13/96/70/962139670.db2.gz MZSVWFZCOXFHOH-LLVKDONJSA-N 1 0 249.383 2.181 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)CNC(=O)C(C)(C)C ZINC001482161508 962188165 /nfs/dbraw/zinc/18/81/65/962188165.db2.gz HRMCHCWOBDCYAZ-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)C[NH2+]CC(C)C ZINC001268661472 962254319 /nfs/dbraw/zinc/25/43/19/962254319.db2.gz WYSRZSXDUZCRKL-TZMCWYRMSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC(C)(C)C ZINC001151938062 962359757 /nfs/dbraw/zinc/35/97/57/962359757.db2.gz XSODPYJSRMKZAZ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)/C=C(/C)CC ZINC001268939942 962385657 /nfs/dbraw/zinc/38/56/57/962385657.db2.gz WNVJWLRMDPMSFS-KGKULNKVSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CCC=C ZINC001152313075 962411804 /nfs/dbraw/zinc/41/18/04/962411804.db2.gz FVZCIJNHILYWCH-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1CC(C)C1 ZINC001152729589 962466457 /nfs/dbraw/zinc/46/64/57/962466457.db2.gz UULISCTUPBISOD-OTTFEQOBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](CCC)C1 ZINC001269264143 962571982 /nfs/dbraw/zinc/57/19/82/962571982.db2.gz WAODMWWCMROOTK-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCC(=C)C ZINC001153641911 962610401 /nfs/dbraw/zinc/61/04/01/962610401.db2.gz LJKMUCCRKKAVJU-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H](C)CCC ZINC001269378712 962635038 /nfs/dbraw/zinc/63/50/38/962635038.db2.gz ULRVQTGLXNHLAP-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)/C=C(/C)CC)CC1 ZINC001269407242 962656412 /nfs/dbraw/zinc/65/64/12/962656412.db2.gz HQSFHRSHQMFDLB-WQLSENKSSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1C[C@H]1C ZINC001269449291 962675473 /nfs/dbraw/zinc/67/54/73/962675473.db2.gz XNZBKMWKYKFXDA-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[N@@H+]1CCNC[C@@H]1Cc1ccccc1 ZINC000711325065 962681293 /nfs/dbraw/zinc/68/12/93/962681293.db2.gz DDNHSMDEPHQFCQ-INIZCTEOSA-N 1 0 244.382 2.469 20 30 BEEDRO C=CC[NH2+]CC1(NC(=O)C2CC=CC2)CCCC1 ZINC001269538979 962705968 /nfs/dbraw/zinc/70/59/68/962705968.db2.gz SYXRCHCVMYBVLB-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)c1ccccc1 ZINC001154230632 962740673 /nfs/dbraw/zinc/74/06/73/962740673.db2.gz UESCUCXVESXBJT-UHFFFAOYSA-N 1 0 246.354 2.362 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CCC(F)F ZINC001154332214 962756410 /nfs/dbraw/zinc/75/64/10/962756410.db2.gz LTOANIDTIUOSFX-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)CC1(C)CC1 ZINC001154367759 962761516 /nfs/dbraw/zinc/76/15/16/962761516.db2.gz ILIZPDMGKOBHTO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)[N@H+]([C@@H]1CC[C@@H](C#N)C1)C(C)(C)CN ZINC001254653731 1169815304 /nfs/dbraw/zinc/81/53/04/1169815304.db2.gz PQGXKJKERDZLMG-VXGBXAGGSA-N 1 0 223.364 2.126 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C1(C)CCC1 ZINC001154631413 962816333 /nfs/dbraw/zinc/81/63/33/962816333.db2.gz NAYZJKPOLDMDCY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CNC(=O)CCCF ZINC001154651525 962825951 /nfs/dbraw/zinc/82/59/51/962825951.db2.gz GIXRNDLIQASKHU-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCCCC ZINC001154662616 962830006 /nfs/dbraw/zinc/83/00/06/962830006.db2.gz SYCIJXVEEJHXJM-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=CCCCCC[NH2+]CCCNC(=O)C(C)C ZINC001154739421 962837142 /nfs/dbraw/zinc/83/71/42/962837142.db2.gz DQISZUHCOPKTPP-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(F)c(C#N)c2)C1 ZINC001225819867 962851908 /nfs/dbraw/zinc/85/19/08/962851908.db2.gz IAKOBWRHAHXBBK-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(C#N)c1 ZINC001225825802 962855640 /nfs/dbraw/zinc/85/56/40/962855640.db2.gz XIMFMQQMQNMQFU-JTQLQIEISA-N 1 0 237.298 2.171 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)C1CC1 ZINC001482269014 962885578 /nfs/dbraw/zinc/88/55/78/962885578.db2.gz MMUGXHAQHCJNOA-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCCNc1[nH+]ccc2c1ccn2C ZINC001155010955 962941463 /nfs/dbraw/zinc/94/14/63/962941463.db2.gz YMAPOPZMWBZWTJ-UHFFFAOYSA-N 1 0 213.284 2.399 20 30 BEEDRO CC(C)(C)[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254668538 1169816066 /nfs/dbraw/zinc/81/60/66/1169816066.db2.gz IMOMFQCYUMNMHS-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CC)C1 ZINC001270529708 963002426 /nfs/dbraw/zinc/00/24/26/963002426.db2.gz MQTYTIZKORXJLB-GXTWGEPZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)/C(C)=C\CC)C1 ZINC001270549194 963011592 /nfs/dbraw/zinc/01/15/92/963011592.db2.gz NWVIDYUVRPEFDV-YRBHFNIASA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]C[C@@H](C)CC ZINC001155586889 963108544 /nfs/dbraw/zinc/10/85/44/963108544.db2.gz OKTMDORWCORJPS-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC(=O)NCCC[NH2+]CCC(C)C ZINC001155593997 963123408 /nfs/dbraw/zinc/12/34/08/963123408.db2.gz VUCNTJXNERNJNC-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)CNc1cc(Cl)nc2c1CC[NH2+]C2 ZINC001155660305 963142517 /nfs/dbraw/zinc/14/25/17/963142517.db2.gz CIBDWUDTYQMFAV-UHFFFAOYSA-N 1 0 237.734 2.369 20 30 BEEDRO C=C(Cl)C[NH2+]CCCNC(=O)[C@@H](C)CCC ZINC001155868945 963190322 /nfs/dbraw/zinc/19/03/22/963190322.db2.gz YHBOPJNMPWRHEY-JTQLQIEISA-N 1 0 246.782 2.271 20 30 BEEDRO C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)CC ZINC001482375545 963224142 /nfs/dbraw/zinc/22/41/42/963224142.db2.gz ZDXDQGVVNMBGCT-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](F)CC ZINC001482392573 963238435 /nfs/dbraw/zinc/23/84/35/963238435.db2.gz YTVLGBIHQCUGLO-VXGBXAGGSA-N 1 0 244.354 2.041 20 30 BEEDRO C[C@H](C#N)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001168003262 963241214 /nfs/dbraw/zinc/24/12/14/963241214.db2.gz MLFBMAGRUZJESC-SQPSOYEMSA-N 1 0 247.386 2.236 20 30 BEEDRO C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](F)CC ZINC001482392568 963241883 /nfs/dbraw/zinc/24/18/83/963241883.db2.gz YTVLGBIHQCUGLO-NEPJUHHUSA-N 1 0 244.354 2.041 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001254669600 1169821705 /nfs/dbraw/zinc/82/17/05/1169821705.db2.gz TZDUKASHCKELBI-OLZOCXBDSA-N 1 0 234.343 2.324 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C)C1CC1 ZINC001156258293 963296232 /nfs/dbraw/zinc/29/62/32/963296232.db2.gz UFLDCNAAOCGASF-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)/C(C)=C/C ZINC001156372803 963326170 /nfs/dbraw/zinc/32/61/70/963326170.db2.gz RIECRWJKDJFMCZ-LFYBBSHMSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)CC ZINC001271083763 963350008 /nfs/dbraw/zinc/35/00/08/963350008.db2.gz SGRXFXWCVCURHY-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO CC[C@@H](CC#N)N1CCC([NH3+])(CC2CC2)CC1 ZINC001255159823 1169823972 /nfs/dbraw/zinc/82/39/72/1169823972.db2.gz CCFJURFMJYAHCL-ZDUSSCGKSA-N 1 0 235.375 2.272 20 30 BEEDRO C=CCOc1ccc(CN2CC[C@](C)([NH3+])C2)cc1 ZINC001204772905 963422218 /nfs/dbraw/zinc/42/22/18/963422218.db2.gz ZVLKXBGSBXMUEG-HNNXBMFYSA-N 1 0 246.354 2.175 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2nccn2C2CC2)C1 ZINC000895563178 963433747 /nfs/dbraw/zinc/43/37/47/963433747.db2.gz WIORJAQUTIRLIN-LBPRGKRZSA-N 1 0 229.327 2.063 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C[NH2+]CC)CC(C)C ZINC001271285860 963498400 /nfs/dbraw/zinc/49/84/00/963498400.db2.gz LHNZRLAVUMHCPN-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C[C@@H](C)CC ZINC001157147150 963546535 /nfs/dbraw/zinc/54/65/35/963546535.db2.gz FYXXGVMKMPXMLZ-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C(C)C ZINC001271690740 963582693 /nfs/dbraw/zinc/58/26/93/963582693.db2.gz ZMTBHVHSWPRNTO-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCCCN(C(=O)CC)C1 ZINC001088242281 963588122 /nfs/dbraw/zinc/58/81/22/963588122.db2.gz UTCGJDKXFCIRBD-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](C)CCCC ZINC001157371945 963588345 /nfs/dbraw/zinc/58/83/45/963588345.db2.gz WXMRTQRZXSOJIS-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCCCN(C(=O)CC)C1 ZINC001088242282 963588863 /nfs/dbraw/zinc/58/88/63/963588863.db2.gz UTCGJDKXFCIRBD-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C[C@]1([NH3+])CCN(Cc2ccc(Cl)cc2C#N)C1 ZINC001204792716 963596748 /nfs/dbraw/zinc/59/67/48/963596748.db2.gz ZAUKAVGGDUXLAM-ZDUSSCGKSA-N 1 0 249.745 2.135 20 30 BEEDRO C=CC[NH2+][C@H]1CCCCCN(C(=O)CCC)C1 ZINC001088250738 963597535 /nfs/dbraw/zinc/59/75/35/963597535.db2.gz YLJGXYNYHIOGGM-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)CC(C)(C)C)C(C)C ZINC001271808388 963646846 /nfs/dbraw/zinc/64/68/46/963646846.db2.gz GYPCDGIZEVYXAD-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)CCC ZINC001271952253 963699406 /nfs/dbraw/zinc/69/94/06/963699406.db2.gz ZSPGCVMESBLJCS-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](CCC)OC)CCC1 ZINC000897350756 963671844 /nfs/dbraw/zinc/67/18/44/963671844.db2.gz LBCQUAHGORUASK-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C(C)C ZINC001271963735 963709898 /nfs/dbraw/zinc/70/98/98/963709898.db2.gz XVOWEUWINVYFNZ-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]([NH2+]CC)C(C)C ZINC001482555553 963711552 /nfs/dbraw/zinc/71/15/52/963711552.db2.gz VUOHOGIAYZLHNL-GXTWGEPZSA-N 1 0 240.391 2.339 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]C2(CC#N)CCCC2)CCO1 ZINC001168104657 963720256 /nfs/dbraw/zinc/72/02/56/963720256.db2.gz MCMVHEBEDZKOOG-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO C#CC1([NH2+][C@H]2CCc3c(cccc3OC)C2)CC1 ZINC001256637917 1169829502 /nfs/dbraw/zinc/82/95/02/1169829502.db2.gz SSRKAGNJTSHSJO-ZDUSSCGKSA-N 1 0 241.334 2.308 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCO[C@@H](C)C2)N=N1 ZINC001168107722 963737652 /nfs/dbraw/zinc/73/76/52/963737652.db2.gz XWCRWTXLXCSRPS-NWDGAFQWSA-N 1 0 235.331 2.109 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCO[C@@H](C)C2)N=N1 ZINC001168107723 963738452 /nfs/dbraw/zinc/73/84/52/963738452.db2.gz XWCRWTXLXCSRPS-RYUDHWBXSA-N 1 0 235.331 2.109 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)C=C1CCC1 ZINC001493511677 963793273 /nfs/dbraw/zinc/79/32/73/963793273.db2.gz CZNZVZGEAYYLEE-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc2ccccc2c1 ZINC000321020427 963867390 /nfs/dbraw/zinc/86/73/90/963867390.db2.gz OBHRIHCCGJOBMZ-AWEZNQCLSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C2CC=CC2)[C@H]1C ZINC001088500954 963873472 /nfs/dbraw/zinc/87/34/72/963873472.db2.gz DLCKCUJQIISCMT-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)C1(C)CC1 ZINC001158542514 963884908 /nfs/dbraw/zinc/88/49/08/963884908.db2.gz INMHIYFZSZIVNY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@](C)(CC)Nc1cc(N(C)C)cc[nH+]1 ZINC001158737827 963912079 /nfs/dbraw/zinc/91/20/79/963912079.db2.gz LGRAPEZSCLYLAQ-CYBMUJFWSA-N 1 0 217.316 2.361 20 30 BEEDRO N#CCc1cnc(-n2ccc(C[NH3+])c2)c(Cl)c1 ZINC001158766498 963918623 /nfs/dbraw/zinc/91/86/23/963918623.db2.gz ADZLXGVGOVRERW-UHFFFAOYSA-N 1 0 246.701 2.050 20 30 BEEDRO CC1(Nc2cccc(F)c2CC#N)CC[NH2+]CC1 ZINC001168189421 963949716 /nfs/dbraw/zinc/94/97/16/963949716.db2.gz RIBURDLEMKANKN-UHFFFAOYSA-N 1 0 247.317 2.446 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC(C)C ZINC001159040800 963979876 /nfs/dbraw/zinc/97/98/76/963979876.db2.gz ZEGNVXVEBDOPNT-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CC[C@@H](C)F ZINC001159032486 963980050 /nfs/dbraw/zinc/98/00/50/963980050.db2.gz IJARKSLDJROCTN-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+]C1CCC(C)CC1)C(=O)NO ZINC001168208804 963983960 /nfs/dbraw/zinc/98/39/60/963983960.db2.gz FRNSMFBGFATWMG-ADPBJBESSA-N 1 0 242.363 2.075 20 30 BEEDRO C=CC[N@H+]1CC=C(CCNC(=O)C2CCC2)CC1 ZINC001159089516 963997203 /nfs/dbraw/zinc/99/72/03/963997203.db2.gz SZITWDUSXZQXSB-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO F[C@@H]1CC[NH2+]C[C@@H]1Nc1ccccc1CS ZINC001168230513 964014437 /nfs/dbraw/zinc/01/44/37/964014437.db2.gz BWYOEYYSVWPDBE-PWSUYJOCSA-N 1 0 240.347 2.228 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCCC#N)C2 ZINC001168240696 964041157 /nfs/dbraw/zinc/04/11/57/964041157.db2.gz BRWZXGUNOACEBO-ZDUSSCGKSA-N 1 0 230.311 2.056 20 30 BEEDRO Cc1cc(C#N)cc(Cl)c1NC1=CC[NH2+]C1 ZINC001159504667 964117935 /nfs/dbraw/zinc/11/79/35/964117935.db2.gz OSBDNIHOGVEUDZ-UHFFFAOYSA-N 1 0 233.702 2.419 20 30 BEEDRO Cc1cc(C#N)cc(C)c1NC1=CCC[NH2+]C1 ZINC001159557625 964125751 /nfs/dbraw/zinc/12/57/51/964125751.db2.gz LZXYXWAHOLOGBI-UHFFFAOYSA-N 1 0 227.311 2.464 20 30 BEEDRO N#Cc1ccc(F)c(NC2=C[NH2+]CCC2)c1 ZINC001159591694 964130744 /nfs/dbraw/zinc/13/07/44/964130744.db2.gz SOJOJMJGZHNVSJ-UHFFFAOYSA-N 1 0 217.247 2.334 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCN1CCC[C@H](C#N)C1 ZINC000300457254 964157044 /nfs/dbraw/zinc/15/70/44/964157044.db2.gz HHROIAYQIMVQNX-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)/C=C(\C)CC ZINC001482829623 964218660 /nfs/dbraw/zinc/21/86/60/964218660.db2.gz CTZBSGGKIHPSBN-IIANPFDCSA-N 1 0 224.348 2.013 20 30 BEEDRO N#Cc1c(F)ccc(F)c1NC1=C[NH2+]CCC1 ZINC001160222789 964266676 /nfs/dbraw/zinc/26/66/76/964266676.db2.gz PKGOEBKRYGHNKJ-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO N#Cc1c(F)cc(NC2=C[NH2+]CCC2)cc1F ZINC001160216537 964267772 /nfs/dbraw/zinc/26/77/72/964267772.db2.gz CQXLKPJKTUZMIU-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO Cc1cc(C)c(NC2=CC[NH2+]CC2)cc1C#N ZINC001160360932 964288252 /nfs/dbraw/zinc/28/82/52/964288252.db2.gz QPGPOWVGJMJYLS-UHFFFAOYSA-N 1 0 227.311 2.464 20 30 BEEDRO Cc1cc(C)c(NC2=CCC[NH2+]C2)cc1C#N ZINC001160359721 964289446 /nfs/dbraw/zinc/28/94/46/964289446.db2.gz CBCXYYHFHWYFNU-UHFFFAOYSA-N 1 0 227.311 2.464 20 30 BEEDRO CC(C)C[C@H](C#N)Nc1ccc2c(n1)CC[NH2+]C2 ZINC001160355864 964290229 /nfs/dbraw/zinc/29/02/29/964290229.db2.gz PSVVPDBZGHLEKC-GFCCVEGCSA-N 1 0 244.342 2.077 20 30 BEEDRO Cc1cnc(N[C@@H](C#N)CC(C)C)c(C[NH3+])c1 ZINC001160364375 964292814 /nfs/dbraw/zinc/29/28/14/964292814.db2.gz ZLHITPQYWUERFM-GFCCVEGCSA-N 1 0 232.331 2.199 20 30 BEEDRO COc1ccc2c(c1)C[C@@H](N1CC[C@H](C#N)C1)C2 ZINC001168281411 964329636 /nfs/dbraw/zinc/32/96/36/964329636.db2.gz CMUTVVJPACJFGP-RISCZKNCSA-N 1 0 242.322 2.008 20 30 BEEDRO COc1ccc2c(c1)C[C@H](N1CC[C@@H](C#N)C1)C2 ZINC001168281412 964330859 /nfs/dbraw/zinc/33/08/59/964330859.db2.gz CMUTVVJPACJFGP-SMDDNHRTSA-N 1 0 242.322 2.008 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC/C=C\C[NH2+]CCC ZINC001483042844 964336868 /nfs/dbraw/zinc/33/68/68/964336868.db2.gz RCBVKONUKJXAIO-FPLPWBNLSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C(=O)NC[C@H](C)CC(C)(C)CC[NH3+] ZINC001142517919 964357757 /nfs/dbraw/zinc/35/77/57/964357757.db2.gz GUMCNTIZWATIGT-LLVKDONJSA-N 1 0 226.364 2.080 20 30 BEEDRO CC(C)[C@](C)(C#N)NC1CCC([NH+](C)C)CC1 ZINC001168298053 964393762 /nfs/dbraw/zinc/39/37/62/964393762.db2.gz ZJTYIUOKWBBDFM-RUXDESIVSA-N 1 0 237.391 2.387 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC(F)(F)C[C@H]1C ZINC000697660521 964436812 /nfs/dbraw/zinc/43/68/12/964436812.db2.gz LIPAGLWDXOZMIF-ZJUUUORDSA-N 1 0 232.274 2.035 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1ncc(C)nc1C ZINC001160952797 964453462 /nfs/dbraw/zinc/45/34/62/964453462.db2.gz BKUKBXABVNMYJF-ZDUSSCGKSA-N 1 0 246.358 2.156 20 30 BEEDRO CC(C)c1ccc(C#N)c(NC/C=C/C[NH3+])n1 ZINC001160976775 964454805 /nfs/dbraw/zinc/45/48/05/964454805.db2.gz GLESTOBJGKZXGM-ONEGZZNKSA-N 1 0 230.315 2.003 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNc1cccc(OC)n1 ZINC001160953099 964456821 /nfs/dbraw/zinc/45/68/21/964456821.db2.gz QTECDHPNVSNJBV-LBPRGKRZSA-N 1 0 247.342 2.153 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)CCC)CCC1 ZINC001280463992 964559305 /nfs/dbraw/zinc/55/93/05/964559305.db2.gz MLVDJMCCSBGFRN-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1OCC#N ZINC001224380215 964608257 /nfs/dbraw/zinc/60/82/57/964608257.db2.gz FGRPFWZJCMEBFZ-HIFRSBDPSA-N 1 0 244.338 2.437 20 30 BEEDRO CC(C)C[C@@H](C#N)NC1CC[NH+](CC2CC2)CC1 ZINC001168363164 964664295 /nfs/dbraw/zinc/66/42/95/964664295.db2.gz UXAFAKXCFMNGCO-HNNXBMFYSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@H](C)CC ZINC001483122404 964696761 /nfs/dbraw/zinc/69/67/61/964696761.db2.gz GCNTXLHHLGOHAF-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001483163915 964796337 /nfs/dbraw/zinc/79/63/37/964796337.db2.gz PTXWTPLZKMDXQO-OCCSQVGLSA-N 1 0 238.375 2.259 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cc(F)ccn2)CC1 ZINC001256959424 1169850789 /nfs/dbraw/zinc/85/07/89/1169850789.db2.gz YTZOGXBWIFNSIP-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CSC2)c(F)c1 ZINC000697999654 964859853 /nfs/dbraw/zinc/85/98/53/964859853.db2.gz PZGKVTXSTYFLOE-UHFFFAOYSA-N 1 0 236.315 2.150 20 30 BEEDRO Cc1ccc(NC2(C#N)CC[NH+](C)CC2)nc1C ZINC001162226861 964884373 /nfs/dbraw/zinc/88/43/73/964884373.db2.gz BHNBIXCOTWRCAP-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO N#CC1(Nc2ccc(C3([NH3+])CC3)cc2)CCC1 ZINC001162312539 964923147 /nfs/dbraw/zinc/92/31/47/964923147.db2.gz DNLJPGYVIOPJOU-UHFFFAOYSA-N 1 0 227.311 2.493 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@]3(CCCO3)C2)CC1 ZINC001256963203 1169851816 /nfs/dbraw/zinc/85/18/16/1169851816.db2.gz CZKCMODAHMXXME-JXQTWKCFSA-N 1 0 234.343 2.324 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)[C@H](C)C(CC)CC ZINC001483242444 964941452 /nfs/dbraw/zinc/94/14/52/964941452.db2.gz JSEZLGGOIINQKS-NWDGAFQWSA-N 1 0 240.391 2.339 20 30 BEEDRO N#Cc1cc(C#N)cc(N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC001162402121 964959689 /nfs/dbraw/zinc/95/96/89/964959689.db2.gz PBTYQRQDOMFPKZ-OLZOCXBDSA-N 1 0 240.310 2.112 20 30 BEEDRO C#CCCCNc1cn2cc[nH+]c2cc1C ZINC001162448631 964981716 /nfs/dbraw/zinc/98/17/16/964981716.db2.gz GAGWSRATKFOSSK-UHFFFAOYSA-N 1 0 213.284 2.468 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC ZINC001483381410 964997223 /nfs/dbraw/zinc/99/72/23/964997223.db2.gz YKHYVEXBWXXVGU-GXTWGEPZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)c1ccc(C)cc1 ZINC001483505702 965027655 /nfs/dbraw/zinc/02/76/55/965027655.db2.gz HLIOPVBMRNTXBM-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCC#CC1CC1 ZINC001224849654 965029786 /nfs/dbraw/zinc/02/97/86/965029786.db2.gz GNTGXTNAQFPBDK-QDMKHBRRSA-N 1 0 233.355 2.147 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)/C(C)=C\CC)C1CC1 ZINC001483550010 965032480 /nfs/dbraw/zinc/03/24/80/965032480.db2.gz PZTMFNRUQGERJJ-GXJZLWQJSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@@H](NC(=O)C(C)(C)C)C1CC1 ZINC001483602759 965052070 /nfs/dbraw/zinc/05/20/70/965052070.db2.gz TYXDMXTZFBEXDL-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(NC[C@H]1CCC(F)(F)C1)=[NH+]COC ZINC001162647341 965087187 /nfs/dbraw/zinc/08/71/87/965087187.db2.gz PFWRXXGSECCCQI-VIFPVBQESA-N 1 0 232.274 2.200 20 30 BEEDRO C=C(C)c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)nc1 ZINC001162670538 965105302 /nfs/dbraw/zinc/10/53/02/965105302.db2.gz PLUIWVCIPZVKJA-ZYHUDNBSSA-N 1 0 217.316 2.277 20 30 BEEDRO C[C@H]1[NH2+]CC[C@H]1Nc1cccc2[nH]c(C#N)cc21 ZINC001162677881 965109368 /nfs/dbraw/zinc/10/93/68/965109368.db2.gz VAOAGADORXCTGW-BXKDBHETSA-N 1 0 240.310 2.202 20 30 BEEDRO Cc1cnccc1C[NH2+]C#C[Si](C)(C)C ZINC001162720740 965145126 /nfs/dbraw/zinc/14/51/26/965145126.db2.gz VKZTYVSLVUAIQU-UHFFFAOYSA-N 1 0 218.376 2.318 20 30 BEEDRO C[Si](C)(C)C#CN1C[C@H]([NH3+])Cc2ccccc21 ZINC001162847472 965193935 /nfs/dbraw/zinc/19/39/35/965193935.db2.gz QWKCUHCGPSLWCZ-CYBMUJFWSA-N 1 0 244.414 2.215 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OCCCC[NH+](C)C ZINC001224991381 965200735 /nfs/dbraw/zinc/20/07/35/965200735.db2.gz RKXQJAYTFLCFNI-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO CCCC(C[NH3+])(CCC)Nc1cnc(C#N)cn1 ZINC001163036222 965236681 /nfs/dbraw/zinc/23/66/81/965236681.db2.gz WWIJQYQAAKQZLC-UHFFFAOYSA-N 1 0 247.346 2.058 20 30 BEEDRO C=CCCC(=O)N1C[C@@H](C[NH2+]C(C)C)[C@H](C)C1 ZINC001105924506 965250521 /nfs/dbraw/zinc/25/05/21/965250521.db2.gz UGOCGVKYKJFASF-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H](C)Nc1ccc(C[NH+]2CCCC2)cn1 ZINC001163160818 965272968 /nfs/dbraw/zinc/27/29/68/965272968.db2.gz DWAXIMITNGGFDG-LBPRGKRZSA-N 1 0 229.327 2.111 20 30 BEEDRO Cc1cnc(N(C(C)C)C(C)(C)C[NH3+])c(C#N)c1 ZINC001163186973 965292619 /nfs/dbraw/zinc/29/26/19/965292619.db2.gz PLUNFQVBEOARJD-UHFFFAOYSA-N 1 0 246.358 2.214 20 30 BEEDRO Cc1cccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c1C#N ZINC001163262650 965322621 /nfs/dbraw/zinc/32/26/21/965322621.db2.gz GKDAMBXFXBOOQR-ZLDLUXBVSA-N 1 0 241.338 2.277 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cnc(OC)cc2C)C1 ZINC001232353899 965349608 /nfs/dbraw/zinc/34/96/08/965349608.db2.gz WTNXMJCYRDVZBD-ZDUSSCGKSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CCNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC001163367905 965370909 /nfs/dbraw/zinc/37/09/09/965370909.db2.gz JNKXTWVRXWSCNA-UHFFFAOYSA-N 1 0 226.279 2.019 20 30 BEEDRO C#CCNc1ccc([C@@H]2CC[N@@H+](C)C2)cc1 ZINC001163372532 965373709 /nfs/dbraw/zinc/37/37/09/965373709.db2.gz PZUOVLWVYJZBJI-CYBMUJFWSA-N 1 0 214.312 2.151 20 30 BEEDRO C=C(C)CNc1cc[nH+]c(NC(=O)CC)c1 ZINC001163380927 965381751 /nfs/dbraw/zinc/38/17/51/965381751.db2.gz IQYNHNSBQVJYPT-UHFFFAOYSA-N 1 0 219.288 2.418 20 30 BEEDRO C=C(C)CNc1cc(O[C@H]2CCOC2)cc[nH+]1 ZINC001163381569 965386820 /nfs/dbraw/zinc/38/68/20/965386820.db2.gz UUSNIYLLZYDAOC-LBPRGKRZSA-N 1 0 234.299 2.237 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)C ZINC001483670005 965411422 /nfs/dbraw/zinc/41/14/22/965411422.db2.gz HUTNOCMVGHXVAS-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+]CC1(CCNC(=O)C(C)C)CC1 ZINC001163458652 965411583 /nfs/dbraw/zinc/41/15/83/965411583.db2.gz UGLLACAZVOGEIZ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C1(C)CCCC1 ZINC001163497790 965417749 /nfs/dbraw/zinc/41/77/49/965417749.db2.gz LZHUCEGAVGTYTG-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)[C@@H](C)CC)CC1 ZINC001163496065 965418340 /nfs/dbraw/zinc/41/83/40/965418340.db2.gz FZXQSGFNWFWAEX-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C[N@@H+](Cc1[nH]ccc1C#N)CC1CCC1 ZINC001233046528 965457210 /nfs/dbraw/zinc/45/72/10/965457210.db2.gz BWXDHMBHBQQIFG-UHFFFAOYSA-N 1 0 203.289 2.118 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1ccccc1CS ZINC001163782653 965585552 /nfs/dbraw/zinc/58/55/52/965585552.db2.gz NSDKVZGWVJSCCN-SNVBAGLBSA-N 1 0 224.373 2.478 20 30 BEEDRO C/C(=N\O)c1ccc(N[C@@H](C)C[NH+](C)C)cc1 ZINC001163787109 965589253 /nfs/dbraw/zinc/58/92/53/965589253.db2.gz YKISUQVDWPFAGD-MKNMWBPTSA-N 1 0 235.331 2.247 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)[C@H](C)CCC)CC1 ZINC001483723765 965602979 /nfs/dbraw/zinc/60/29/79/965602979.db2.gz XKWRKUIHGGWLDT-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]C[C@H](C)CC ZINC001163953646 965657309 /nfs/dbraw/zinc/65/73/09/965657309.db2.gz YZTCNNUAHGYUOD-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO Cc1[nH+]c(N2CC(C)(C#N)C2)cc2[nH]ccc21 ZINC001163952201 965657356 /nfs/dbraw/zinc/65/73/56/965657356.db2.gz YDCYTSWFVNIODT-UHFFFAOYSA-N 1 0 226.283 2.221 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]C/C=C/Cl ZINC001163964162 965665620 /nfs/dbraw/zinc/66/56/20/965665620.db2.gz RFMUSRAXXGYRAU-FNORWQNLSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)[C@@H](F)CC ZINC001164020214 965695100 /nfs/dbraw/zinc/69/51/00/965695100.db2.gz GQAPUDVCNFGUNU-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC(C)=C(C)C ZINC001164034767 965711034 /nfs/dbraw/zinc/71/10/34/965711034.db2.gz KPUZSZNMZLSQRR-UHFFFAOYSA-N 1 0 224.348 2.015 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C1(C)CCC1 ZINC001164044332 965711587 /nfs/dbraw/zinc/71/15/87/965711587.db2.gz VXKGMZAJCRTOHT-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C/C(C)=C\CC(=O)NCCC[NH2+]CC(=C)C ZINC001164133803 965752807 /nfs/dbraw/zinc/75/28/07/965752807.db2.gz QLJDJTWYTHPVBB-QPEQYQDCSA-N 1 0 236.359 2.181 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCCC1(C)C ZINC001164164117 965771489 /nfs/dbraw/zinc/77/14/89/965771489.db2.gz WUFHWEBMZXLVPV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CCCC1CC1 ZINC001164283372 965828142 /nfs/dbraw/zinc/82/81/42/965828142.db2.gz MNZBMPYVVSPSKQ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC[NH2+]CCCF ZINC001164345639 965853948 /nfs/dbraw/zinc/85/39/48/965853948.db2.gz DZHHFUZPCXZBFW-GFCCVEGCSA-N 1 0 244.354 2.044 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H](C)CC(=C)C ZINC001164360395 965859724 /nfs/dbraw/zinc/85/97/24/965859724.db2.gz JOAPPFLCFYINIY-CYBMUJFWSA-N 1 0 238.375 2.261 20 30 BEEDRO N#Cc1ccc(-c2ccc(NOCC[NH3+])cc2)o1 ZINC001164428839 965879949 /nfs/dbraw/zinc/87/99/49/965879949.db2.gz JLKPQKHUEBUABA-UHFFFAOYSA-N 1 0 243.266 2.120 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC1CC(C)(C)C1 ZINC001164483376 965896520 /nfs/dbraw/zinc/89/65/20/965896520.db2.gz KEXBUBDDBOTEFG-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001165399547 966098912 /nfs/dbraw/zinc/09/89/12/966098912.db2.gz HEGQQPZRZSRCPB-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CC=C(C)C ZINC001165530277 966116691 /nfs/dbraw/zinc/11/66/91/966116691.db2.gz DJVGODHHLDEPIW-UHFFFAOYSA-N 1 0 238.375 2.405 20 30 BEEDRO C#C[C@H]1CCC[C@H]1OCC[NH+]1CCCCC1 ZINC001206709508 966160396 /nfs/dbraw/zinc/16/03/96/966160396.db2.gz MYCVZNDFDMIRBY-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCCCN1CC2(C1)CCCC[NH2+]2 ZINC001235924598 966164904 /nfs/dbraw/zinc/16/49/04/966164904.db2.gz VOKZQQAACRQZIJ-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO CC1=CC[C@H](CCN2CCN[C@H](C#N)C2)C1(C)C ZINC001235914383 966166248 /nfs/dbraw/zinc/16/62/48/966166248.db2.gz UIJZNAYRIRYWIN-ZIAGYGMSSA-N 1 0 247.386 2.166 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C[C@@H]1C[C@@H]1C ZINC001165884166 966183506 /nfs/dbraw/zinc/18/35/06/966183506.db2.gz CACVCEAZZSFTIZ-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C[C@@H]1C[C@H]1C ZINC001165884164 966188084 /nfs/dbraw/zinc/18/80/84/966188084.db2.gz CACVCEAZZSFTIZ-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CCCC)C1 ZINC001265286607 1169886814 /nfs/dbraw/zinc/88/68/14/1169886814.db2.gz YHMYKHZDEOGDAW-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)c2cocc2C)CC1 ZINC001483757994 966231823 /nfs/dbraw/zinc/23/18/23/966231823.db2.gz KSDABZQHRPYCHT-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@]1(C)CCC[C@H]1C ZINC001166045841 966237970 /nfs/dbraw/zinc/23/79/70/966237970.db2.gz DIUCRVIHOPOCDF-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C1(C)CC(=C)C1 ZINC001166245635 966256728 /nfs/dbraw/zinc/25/67/28/966256728.db2.gz KPMGPRWVXOVRJM-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCOc1ccc(CN(CC)CC[NH2+]C)cc1 ZINC001236142164 966276488 /nfs/dbraw/zinc/27/64/88/966276488.db2.gz AYFGMEPFHKKHOT-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO C=CCCCCN(C)[C@@]1(C)CCC[NH2+]C1 ZINC001236201327 966308392 /nfs/dbraw/zinc/30/83/92/966308392.db2.gz LQERVAVEAGXOQI-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C#Cc1ccc(CN(C)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001236218145 966312886 /nfs/dbraw/zinc/31/28/86/966312886.db2.gz REZOMOANPHPTAT-JKSUJKDBSA-N 1 0 242.366 2.370 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)/C(C)=C\CC ZINC001272674112 966363985 /nfs/dbraw/zinc/36/39/85/966363985.db2.gz ZQRDYYIDFANLPE-FFXRNRBCSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)CC ZINC001483920572 966398751 /nfs/dbraw/zinc/39/87/51/966398751.db2.gz SCNPGFPTFIFADF-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccco1 ZINC001483919377 966400235 /nfs/dbraw/zinc/40/02/35/966400235.db2.gz PPRZYLCPXMFRBB-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC=CC1 ZINC001483925817 966401657 /nfs/dbraw/zinc/40/16/57/966401657.db2.gz YLCVUHIKYSDFFE-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)C1CC=CC1 ZINC001483925819 966403059 /nfs/dbraw/zinc/40/30/59/966403059.db2.gz YLCVUHIKYSDFFE-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC)C1 ZINC001484330115 966457173 /nfs/dbraw/zinc/45/71/73/966457173.db2.gz CFCPUROPMIMKPM-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)[C@H](C)CCC ZINC001272688567 966505288 /nfs/dbraw/zinc/50/52/88/966505288.db2.gz NJEZLLBBDBVCLP-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C)CC)CC1 ZINC001484706943 966507206 /nfs/dbraw/zinc/50/72/06/966507206.db2.gz PYELVZRPCHHOHT-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]1C[N@H+](C)CC=C ZINC001485052052 966536826 /nfs/dbraw/zinc/53/68/26/966536826.db2.gz UMQPJTOKBICCMX-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)F ZINC001485114081 966543135 /nfs/dbraw/zinc/54/31/35/966543135.db2.gz LMPNRXJKHTZCBU-WDEREUQCSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)F ZINC001485114080 966544729 /nfs/dbraw/zinc/54/47/29/966544729.db2.gz LMPNRXJKHTZCBU-QWRGUYRKSA-N 1 0 244.354 2.184 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@H](C)[NH2+]CCC1CC1 ZINC001485129907 966546854 /nfs/dbraw/zinc/54/68/54/966546854.db2.gz NQINDUOTZRWHSQ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC(C)C ZINC001485116635 966547889 /nfs/dbraw/zinc/54/78/89/966547889.db2.gz STKHYNWSUOWTJM-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC(C)C ZINC001485121974 966549714 /nfs/dbraw/zinc/54/97/14/966549714.db2.gz USWUFNGFTCOYMZ-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC ZINC001485142373 966552470 /nfs/dbraw/zinc/55/24/70/966552470.db2.gz NOYNPRMTGHKXRW-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCC[NH2+]CC(C)(C)CN(C)C(=O)CC ZINC001485243857 966563987 /nfs/dbraw/zinc/56/39/87/966563987.db2.gz JNNCMAMVHBGPCD-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)CCC)C1 ZINC001485495312 966606318 /nfs/dbraw/zinc/60/63/18/966606318.db2.gz FMYOVGLDCRCRGA-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC001485559611 966614295 /nfs/dbraw/zinc/61/42/95/966614295.db2.gz ZJZDEHSUUYZHTO-DGCLKSJQSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182329964 966634007 /nfs/dbraw/zinc/63/40/07/966634007.db2.gz UYRALWBTXZOLCF-UWVGGRQHSA-N 1 0 248.164 2.442 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCC(OCC)CC1 ZINC000691238771 966642877 /nfs/dbraw/zinc/64/28/77/966642877.db2.gz BOYUBGODVVAJKI-PNESKVBLSA-N 1 0 209.333 2.336 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)nc(C)c1 ZINC001203472728 966663640 /nfs/dbraw/zinc/66/36/40/966663640.db2.gz YRPQUKMUWJVJKL-CQSZACIVSA-N 1 0 234.343 2.115 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]CC/C=C\CCC ZINC001124635897 966670467 /nfs/dbraw/zinc/67/04/67/966670467.db2.gz CFZGUJZEROBMCK-FPLPWBNLSA-N 1 0 238.375 2.405 20 30 BEEDRO C#CCCOc1ccc(CN[C@@H](C)CC#N)cc1 ZINC001203522067 966672267 /nfs/dbraw/zinc/67/22/67/966672267.db2.gz MYSZXHIVMTZWKT-ZDUSSCGKSA-N 1 0 242.322 2.480 20 30 BEEDRO C[C@H](CC#N)NCc1cccc(Cl)c1N ZINC001203521543 966673394 /nfs/dbraw/zinc/67/33/94/966673394.db2.gz HADYRLHEDYLUDR-MRVPVSSYSA-N 1 0 223.707 2.314 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCC3(COC3)C2)cc1 ZINC001203900346 966816348 /nfs/dbraw/zinc/81/63/48/966816348.db2.gz ZNYGUWUMLBHHDY-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1 ZINC001203900035 966816756 /nfs/dbraw/zinc/81/67/56/966816756.db2.gz NPAAIIRGPJZOKE-HNNXBMFYSA-N 1 0 242.322 2.313 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@@H]1F ZINC001203899964 966817052 /nfs/dbraw/zinc/81/70/52/966817052.db2.gz KFNACXBWSNUGKD-MFKMUULPSA-N 1 0 218.275 2.348 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCC(S)CC2)cc1 ZINC001203905638 966817919 /nfs/dbraw/zinc/81/79/19/966817919.db2.gz YBQOFZIULCXCSK-UHFFFAOYSA-N 1 0 232.352 2.452 20 30 BEEDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(C#N)cc3)C[C@H]12 ZINC001203904962 966818394 /nfs/dbraw/zinc/81/83/94/966818394.db2.gz LWPRYLZQFRPQHL-KCPJHIHWSA-N 1 0 242.322 2.025 20 30 BEEDRO C[C@H](O)C(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC001203935879 966825724 /nfs/dbraw/zinc/82/57/24/966825724.db2.gz RPCURRQGCMFDOW-DCBWTQNWSA-N 1 0 238.375 2.455 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)C1(C)CC1 ZINC001127845691 966825985 /nfs/dbraw/zinc/82/59/85/966825985.db2.gz MLCWUFUXUJOPIK-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO CCCCCCCNC(=O)N1CC[C@](C)([NH3+])C1 ZINC001239258243 966845210 /nfs/dbraw/zinc/84/52/10/966845210.db2.gz QKDLOAYSMDUZME-ZDUSSCGKSA-N 1 0 241.379 2.090 20 30 BEEDRO CCCCCCCOC(=O)NCCC[NH2+]C ZINC001239316286 966845946 /nfs/dbraw/zinc/84/59/46/966845946.db2.gz DEOFWPVIJLNQIJ-UHFFFAOYSA-N 1 0 230.352 2.293 20 30 BEEDRO CCCCCCCOC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC001239317221 966852633 /nfs/dbraw/zinc/85/26/33/966852633.db2.gz UQRMPXIBXLMTSK-ZDUSSCGKSA-N 1 0 242.363 2.435 20 30 BEEDRO C=CCCC[NH2+]CC1CCN(C(=O)CC)CC1 ZINC001204190406 966919507 /nfs/dbraw/zinc/91/95/07/966919507.db2.gz NJWGVJOXFKZCTL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@]1(C)O ZINC001204368201 966978820 /nfs/dbraw/zinc/97/88/20/966978820.db2.gz LAMAOPDNIYFYKU-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)CC[C@@H]1O ZINC001204366476 966979659 /nfs/dbraw/zinc/97/96/59/966979659.db2.gz JACKMRGZFBMLAQ-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@H]1O ZINC001204368296 966980634 /nfs/dbraw/zinc/98/06/34/966980634.db2.gz MWJVJCFMMQTZDI-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C#Cc1cc(Nc2ccc(N)cc2Cl)ccn1 ZINC001249729572 967040560 /nfs/dbraw/zinc/04/05/60/967040560.db2.gz SJSRULWKMNSLRJ-UHFFFAOYSA-N 1 0 243.697 2.464 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@]1(C)CCCCO1 ZINC001204640171 967107489 /nfs/dbraw/zinc/10/74/89/967107489.db2.gz CTIDJHLZWQBJHU-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccn1C(F)F ZINC001204900474 967225399 /nfs/dbraw/zinc/22/53/99/967225399.db2.gz ZYHHAODWJJDSHG-UHFFFAOYSA-N 1 0 212.243 2.338 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921769487 967253036 /nfs/dbraw/zinc/25/30/36/967253036.db2.gz QQSZFKFSKTWVAJ-UHFFFAOYSA-N 1 0 249.383 2.064 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCC[C@H](C)CCC ZINC001128151955 967270841 /nfs/dbraw/zinc/27/08/41/967270841.db2.gz DKCFRZPFSLXMDU-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001485853369 967295690 /nfs/dbraw/zinc/29/56/90/967295690.db2.gz LJWPLTKMFZRSTR-BPOWMSRESA-N 1 0 244.766 2.142 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)/C(C)=C/C ZINC001485860550 967297978 /nfs/dbraw/zinc/29/79/78/967297978.db2.gz HXMKXWQERUYFPW-WHGQRRHOSA-N 1 0 238.375 2.355 20 30 BEEDRO C[N@@H+]1CCC=C(Cc2ccccc2C#N)C1 ZINC001250045091 967302193 /nfs/dbraw/zinc/30/21/93/967302193.db2.gz VZSBZJLIIZVHAS-UHFFFAOYSA-N 1 0 212.296 2.363 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC1(C)C ZINC001485914311 967311134 /nfs/dbraw/zinc/31/11/34/967311134.db2.gz VHNNIMHICXLIBB-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1(SC)CCC1 ZINC000320729310 967364058 /nfs/dbraw/zinc/36/40/58/967364058.db2.gz JYQAUOZCTJLFQR-LLVKDONJSA-N 1 0 229.389 2.189 20 30 BEEDRO CC#CCC[NH2+][C@H](COC)CC(C)(C)C ZINC001205136557 967381367 /nfs/dbraw/zinc/38/13/67/967381367.db2.gz FJNMEIUWLGVTPW-LBPRGKRZSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)CC(C)(C)C)C1 ZINC001486455385 967390410 /nfs/dbraw/zinc/39/04/10/967390410.db2.gz MXBULUJJGDIOKQ-UHFFFAOYSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1Cc2cccc(Cl)c2C1 ZINC001168693023 967395763 /nfs/dbraw/zinc/39/57/63/967395763.db2.gz BSRXOVSXMNXYRZ-KOLCDFICSA-N 1 0 219.715 2.419 20 30 BEEDRO C=CC[NH2+]CCN1CCc2ccccc2[C@H]1C ZINC001205164857 967405019 /nfs/dbraw/zinc/40/50/19/967405019.db2.gz TZHPISGGJFLKSU-CYBMUJFWSA-N 1 0 230.355 2.381 20 30 BEEDRO C=CC[NH2+]CCN1CCc2ccccc2[C@@H]1C ZINC001205164859 967405410 /nfs/dbraw/zinc/40/54/10/967405410.db2.gz TZHPISGGJFLKSU-ZDUSSCGKSA-N 1 0 230.355 2.381 20 30 BEEDRO Cc1cc(C#N)cc(CCC[NH+](C)C)c1 ZINC001250164798 967459342 /nfs/dbraw/zinc/45/93/42/967459342.db2.gz OIWQVZKHQAXPHS-UHFFFAOYSA-N 1 0 202.301 2.361 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]CCC(C)(C)C ZINC001128408765 967546733 /nfs/dbraw/zinc/54/67/33/967546733.db2.gz FCZZKLBTTPQXLA-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C1CC1 ZINC001168710577 967595729 /nfs/dbraw/zinc/59/57/29/967595729.db2.gz DGQOWWIKXJIENO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000694083768 967697385 /nfs/dbraw/zinc/69/73/85/967697385.db2.gz RALYPOSZPVJDNZ-LBPRGKRZSA-N 1 0 202.301 2.016 20 30 BEEDRO N#CCc1cc(NC(C2CC2)C2CC2)cc[nH+]1 ZINC001168746694 967729952 /nfs/dbraw/zinc/72/99/52/967729952.db2.gz DWLBGAAYKPIFTJ-UHFFFAOYSA-N 1 0 227.311 2.170 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](OCCCCC#N)C1 ZINC001205665370 967745431 /nfs/dbraw/zinc/74/54/31/967745431.db2.gz YETMXPQVSVMBIK-GFCCVEGCSA-N 1 0 210.321 2.180 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001205713782 967799995 /nfs/dbraw/zinc/79/99/95/967799995.db2.gz IKRKWZJTPKNBOT-NSHDSACASA-N 1 0 233.311 2.211 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc2nsnc21)C(C)C ZINC001205714171 967800626 /nfs/dbraw/zinc/80/06/26/967800626.db2.gz UONZGVLZIGQUTL-LLVKDONJSA-N 1 0 245.351 2.439 20 30 BEEDRO COC1CC[NH+](Cc2cc(F)cc(C#N)c2)CC1 ZINC000163544888 967813018 /nfs/dbraw/zinc/81/30/18/967813018.db2.gz VJUYWMXGFLPWTG-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO [NH3+][C@@H]1CCC[C@@H](Nc2cccc(/C=N/O)c2)C1 ZINC001162401727 967828659 /nfs/dbraw/zinc/82/86/59/967828659.db2.gz MLIMKEZTIQAFJP-RLYUOEPHSA-N 1 0 233.315 2.177 20 30 BEEDRO N#CC1(CNc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC001162411751 967830285 /nfs/dbraw/zinc/83/02/85/967830285.db2.gz DGSMJHMLRQMTSA-UHFFFAOYSA-N 1 0 227.311 2.396 20 30 BEEDRO C#Cc1ccc(CN2C[C@@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205831076 967842146 /nfs/dbraw/zinc/84/21/46/967842146.db2.gz WEZHZHNVCQESLI-XJKSGUPXSA-N 1 0 242.366 2.227 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1ncc(C#N)cn1 ZINC001250505050 968001061 /nfs/dbraw/zinc/00/10/61/968001061.db2.gz WKFVHWOVYLDRRG-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCC[N@@H+](C)CCCN(C)C(=O)/C(C)=C\C ZINC001280803444 968005614 /nfs/dbraw/zinc/00/56/14/968005614.db2.gz YBJAASPGMUPDOX-QPEQYQDCSA-N 1 0 238.375 2.309 20 30 BEEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001273162871 968018343 /nfs/dbraw/zinc/01/83/43/968018343.db2.gz DTOXAJCYUCCIGN-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CCN1CC[C@@]2(CCC[N@@H+]2CCC2CC2)C1=O ZINC001273164007 968018974 /nfs/dbraw/zinc/01/89/74/968018974.db2.gz ROWRHGOONXQLDW-HNNXBMFYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C(C)CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001163378949 968031090 /nfs/dbraw/zinc/03/10/90/968031090.db2.gz ZGBOMGUQFMGGFN-UHFFFAOYSA-N 1 0 233.271 2.186 20 30 BEEDRO C=C(C)CNc1cccc(CN2CC[C@@H]([NH3+])C2)c1 ZINC001163382243 968032534 /nfs/dbraw/zinc/03/25/34/968032534.db2.gz XENNHAJWFQJBCF-CQSZACIVSA-N 1 0 245.370 2.208 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1cccc(CC#N)c1F ZINC001163776851 968120258 /nfs/dbraw/zinc/12/02/58/968120258.db2.gz MWFNCRGPFIMWJZ-JTQLQIEISA-N 1 0 235.306 2.254 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)NCCC[NH2+]CC(C)C ZINC001164234363 968197506 /nfs/dbraw/zinc/19/75/06/968197506.db2.gz WDKLRAJTFDMFGH-QWHCGFSZSA-N 1 0 240.391 2.197 20 30 BEEDRO C[NH+](C)CCCO[C@H](C#N)c1cccc(F)c1 ZINC001206302705 968211893 /nfs/dbraw/zinc/21/18/93/968211893.db2.gz QQTLKJSFXQKNCX-CYBMUJFWSA-N 1 0 236.290 2.359 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1ccnn1C ZINC001206355715 968255356 /nfs/dbraw/zinc/25/53/56/968255356.db2.gz YIMRTEUOJMNAMC-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=C[C@@H]([NH2+]C[C@H](O)CC)c1ccccc1 ZINC001251817534 968339786 /nfs/dbraw/zinc/33/97/86/968339786.db2.gz QAYNOIPWESLCIE-CHWSQXEVSA-N 1 0 205.301 2.274 20 30 BEEDRO Cc1oc(Nc2cc[nH+]c(N)c2)c(C#N)c1C ZINC001206528317 968353201 /nfs/dbraw/zinc/35/32/01/968353201.db2.gz KLTINKMGBAKFQV-UHFFFAOYSA-N 1 0 228.255 2.489 20 30 BEEDRO Cc1cc(C#N)cc(C#N)c1Nc1cc[nH+]c(N)c1 ZINC001206562097 968384433 /nfs/dbraw/zinc/38/44/33/968384433.db2.gz YGRCLCOLBKOXLN-UHFFFAOYSA-N 1 0 249.277 2.459 20 30 BEEDRO N#Cc1cc2c(ccn2-c2cc[nH+]c(N)c2)c(N)c1 ZINC001206561989 968384953 /nfs/dbraw/zinc/38/49/53/968384953.db2.gz TVHBIKHUZLYYRR-UHFFFAOYSA-N 1 0 249.277 2.062 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCCN(CC)C1 ZINC001206590109 968407736 /nfs/dbraw/zinc/40/77/36/968407736.db2.gz ITPRYQAQCJRIGK-ZDUSSCGKSA-N 1 0 242.432 2.370 20 30 BEEDRO C#C[C@@H](CCC)OCC[NH+]1CCCCC1 ZINC001206710450 968437095 /nfs/dbraw/zinc/43/70/95/968437095.db2.gz ZMJGJJLFQXDKHQ-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC001119699622 968456282 /nfs/dbraw/zinc/45/62/82/968456282.db2.gz VJBRVEXSRIIHBA-KGLIPLIRSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)c1ccco1 ZINC001085119074 968539513 /nfs/dbraw/zinc/53/95/13/968539513.db2.gz CIOYUIHJZACBEB-VXGBXAGGSA-N 1 0 248.326 2.096 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C[C@H](C)O ZINC001252120052 968605458 /nfs/dbraw/zinc/60/54/58/968605458.db2.gz MHOVTAAOFSNYQE-STQMWFEESA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](CC)CO ZINC001252120046 968605728 /nfs/dbraw/zinc/60/57/28/968605728.db2.gz MFJLCOFYGVGVTH-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+]C1COC1 ZINC001252119823 968606700 /nfs/dbraw/zinc/60/67/00/968606700.db2.gz GYTFRTKDFFORMN-ZDUSSCGKSA-N 1 0 229.364 2.086 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@H](C)CCO ZINC001252133304 968609446 /nfs/dbraw/zinc/60/94/46/968609446.db2.gz HYQDZBNDACAWDB-KGLIPLIRSA-N 1 0 245.407 2.458 20 30 BEEDRO N#Cc1cc2cc(C3=CCC[NH2+]C3)ccc2[nH]1 ZINC001240664200 968630183 /nfs/dbraw/zinc/63/01/83/968630183.db2.gz FYICVKOPQNOGGN-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO Cn1cc(CN2CCCC[C@H](F)C2)cc1C#N ZINC001207103540 968635482 /nfs/dbraw/zinc/63/54/82/968635482.db2.gz WKCBSYSZVDUEAU-LBPRGKRZSA-N 1 0 235.306 2.221 20 30 BEEDRO CCCC[N@H+](CCC#N)Cc1cc[nH]c(=O)c1 ZINC001207122816 968642847 /nfs/dbraw/zinc/64/28/47/968642847.db2.gz VDIJAWGHSFXSHT-UHFFFAOYSA-N 1 0 233.315 2.303 20 30 BEEDRO Cc1noc(C)c1C[NH+]1CCC(S)CC1 ZINC001207140027 968651633 /nfs/dbraw/zinc/65/16/33/968651633.db2.gz YGDNWSLHKHTPEM-UHFFFAOYSA-N 1 0 226.345 2.186 20 30 BEEDRO Cc1nccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)n1 ZINC001207166506 968676497 /nfs/dbraw/zinc/67/64/97/968676497.db2.gz SIKLMSVCUYHCKB-DEZZGGKRSA-N 1 0 242.326 2.052 20 30 BEEDRO C#CC[N@H+](C[C@H]1CC=CCC1)C1CSC1 ZINC001207218960 968685776 /nfs/dbraw/zinc/68/57/76/968685776.db2.gz VCIMATOATZKKLX-LBPRGKRZSA-N 1 0 221.369 2.393 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001252546820 968783157 /nfs/dbraw/zinc/78/31/57/968783157.db2.gz AZIPWUWGLNXUEO-NSHDSACASA-N 1 0 245.313 2.435 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC2(CCC2)CC1 ZINC001252549903 968786089 /nfs/dbraw/zinc/78/60/89/968786089.db2.gz KPCDIUHOTZESRL-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@H]2CCC[C@H]2C1 ZINC001252550923 968786100 /nfs/dbraw/zinc/78/61/00/968786100.db2.gz RLCYEFSIXCJYLX-AGIUHOORSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)Cc1cccs1 ZINC001252555287 968795654 /nfs/dbraw/zinc/79/56/54/968795654.db2.gz RLAUAIOIXBSNIJ-NSHDSACASA-N 1 0 211.330 2.117 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)CCc1cccc(OC)c1 ZINC001252554446 968796919 /nfs/dbraw/zinc/79/69/19/968796919.db2.gz GYSRUYWMDHDTHM-HNNXBMFYSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC001252556900 968799112 /nfs/dbraw/zinc/79/91/12/968799112.db2.gz GBGFBKIYEPPPHD-AVGNSLFASA-N 1 0 209.333 2.188 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CC2(C1)CCCCC2 ZINC001252556495 968799761 /nfs/dbraw/zinc/79/97/61/968799761.db2.gz CFTRQTUMOBMREL-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccc(C[NH+](C)C)cc1 ZINC001252559721 968804264 /nfs/dbraw/zinc/80/42/64/968804264.db2.gz BJUNWUFJXRLBBZ-CQSZACIVSA-N 1 0 234.343 2.097 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC(c2cccnc2)CC1 ZINC001252559561 968805184 /nfs/dbraw/zinc/80/51/84/968805184.db2.gz YVLYTYXXZZMCQI-HNNXBMFYSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1OC ZINC001252571250 968820006 /nfs/dbraw/zinc/82/00/06/968820006.db2.gz GQEAFABGZZTYFA-FZMZJTMJSA-N 1 0 235.327 2.283 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000829179992 968821206 /nfs/dbraw/zinc/82/12/06/968821206.db2.gz QPBDPGNRTLZUDD-CHWSQXEVSA-N 1 0 249.402 2.389 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(SC)cc1 ZINC001252572533 968822170 /nfs/dbraw/zinc/82/21/70/968822170.db2.gz REHGVDAOBKORHX-ZDUSSCGKSA-N 1 0 237.368 2.435 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000829179877 968822453 /nfs/dbraw/zinc/82/24/53/968822453.db2.gz PUEVUMLNTBRAPZ-VWYCJHECSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829180371 968822505 /nfs/dbraw/zinc/82/25/05/968822505.db2.gz SYZNORDUJJNJRH-NWDGAFQWSA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc2ncccc2c1 ZINC001252573880 968825028 /nfs/dbraw/zinc/82/50/28/968825028.db2.gz JYQNZEFWDKTGSE-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(c2ccccc2F)CC1 ZINC001252574410 968825843 /nfs/dbraw/zinc/82/58/43/968825843.db2.gz AGRSZFVEHYRLGJ-CYBMUJFWSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](CC)c1ccccn1 ZINC001252575766 968827081 /nfs/dbraw/zinc/82/70/81/968827081.db2.gz FSKHEJFKMCRHNW-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1cccnc1)C(C)C ZINC001252577008 968828123 /nfs/dbraw/zinc/82/81/23/968828123.db2.gz RTHUHWFERNWJLC-KGLIPLIRSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](CC)c1ccccn1 ZINC001252575767 968828327 /nfs/dbraw/zinc/82/83/27/968828327.db2.gz FSKHEJFKMCRHNW-YPMHNXCESA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1C[C@@H]1c1ccc(F)cc1 ZINC001252575546 968828534 /nfs/dbraw/zinc/82/85/34/968828534.db2.gz CJWGRTFCYVBHJH-RDBSUJKOSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001252577283 968831081 /nfs/dbraw/zinc/83/10/81/968831081.db2.gz XMJNIHBTJQBQTM-CYDGBPFRSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1csc(Cl)c1 ZINC001252578039 968831193 /nfs/dbraw/zinc/83/11/93/968831193.db2.gz PPPSHAIVRNORCQ-JTQLQIEISA-N 1 0 231.748 2.428 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2cc(OC)ccc21 ZINC001252578635 968831223 /nfs/dbraw/zinc/83/12/23/968831223.db2.gz FOAVEBPBERJVPW-CABCVRRESA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001252577284 968831231 /nfs/dbraw/zinc/83/12/31/968831231.db2.gz XMJNIHBTJQBQTM-ZDEQEGDKSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)c1cccc(OC)c1 ZINC001252580787 968833331 /nfs/dbraw/zinc/83/33/31/968833331.db2.gz UAHOAYKIYDTSDO-OAHLLOKOSA-N 1 0 249.354 2.457 20 30 BEEDRO N#CC1CC[NH+](C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 ZINC001207614969 968833456 /nfs/dbraw/zinc/83/34/56/968833456.db2.gz BGLMYAIBCMFAFO-BFHYXJOUSA-N 1 0 216.328 2.434 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001252581376 968834663 /nfs/dbraw/zinc/83/46/63/968834663.db2.gz GVIKYYPUASPSAB-AWEZNQCLSA-N 1 0 235.327 2.030 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1sccc1Cl ZINC001252581406 968835491 /nfs/dbraw/zinc/83/54/91/968835491.db2.gz HIHUERSWXFCMJE-SNVBAGLBSA-N 1 0 231.748 2.428 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCOc2ccc(C)cc21 ZINC001252582860 968836045 /nfs/dbraw/zinc/83/60/45/968836045.db2.gz XWFRFOCWKCIPIS-HIFRSBDPSA-N 1 0 247.338 2.345 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)CC1CC1 ZINC001252583462 968837507 /nfs/dbraw/zinc/83/75/07/968837507.db2.gz LJHJHOXSKGTRET-CYBMUJFWSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC001252583160 968837678 /nfs/dbraw/zinc/83/76/78/968837678.db2.gz FGRMBHKQPAXKJF-DZGCQCFKSA-N 1 0 231.339 2.243 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCCCC1(C)C ZINC001252583847 968838178 /nfs/dbraw/zinc/83/81/78/968838178.db2.gz UMWDBSYGMIFNDB-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCc2ccc(F)cc2C1 ZINC001252584057 968838353 /nfs/dbraw/zinc/83/83/53/968838353.db2.gz XJDGESBNZRBYOT-CABCVRRESA-N 1 0 249.329 2.210 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)Cc1ccncc1 ZINC001252583868 968838467 /nfs/dbraw/zinc/83/84/67/968838467.db2.gz VAYZNDVTCGEHAQ-HNNXBMFYSA-N 1 0 248.370 2.177 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C[C@@H](C)c1cccc(OC)c1 ZINC001252584509 968838752 /nfs/dbraw/zinc/83/87/52/968838752.db2.gz AWFAIERHGNZQIQ-DOMZBBRYSA-N 1 0 249.354 2.325 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(F)cc1F ZINC001252586498 968840100 /nfs/dbraw/zinc/84/01/00/968840100.db2.gz JEJHMJZCKPQNKQ-GFCCVEGCSA-N 1 0 241.281 2.382 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccccc1 ZINC001252585895 968841176 /nfs/dbraw/zinc/84/11/76/968841176.db2.gz APJVNCBGZFIXOQ-AWEZNQCLSA-N 1 0 219.328 2.146 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1cccc(F)c1 ZINC001252587074 968842000 /nfs/dbraw/zinc/84/20/00/968842000.db2.gz PCQSYPGVKKPTJT-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccccc1C ZINC001252588680 968845868 /nfs/dbraw/zinc/84/58/68/968845868.db2.gz DYCBFBZTLOGCFN-OAHLLOKOSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCC[C@@H](O)CNc1ccc2[nH+]c(C)cn2c1 ZINC001252592273 968850876 /nfs/dbraw/zinc/85/08/76/968850876.db2.gz PJBKBASPQRQSQO-CYBMUJFWSA-N 1 0 245.326 2.382 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)OC ZINC001252600025 968854473 /nfs/dbraw/zinc/85/44/73/968854473.db2.gz UOSGWQPJFZJNEV-CHWSQXEVSA-N 1 0 241.375 2.203 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1F ZINC001252611698 968867640 /nfs/dbraw/zinc/86/76/40/968867640.db2.gz DLFPCAOKEMYETH-SDDRHHMPSA-N 1 0 215.312 2.041 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H]3CCC[C@@H]32)n1 ZINC001207683938 968862192 /nfs/dbraw/zinc/86/21/92/968862192.db2.gz AKXUCNOHVVUGBH-LSJOCFKGSA-N 1 0 233.340 2.293 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(C(=O)OC)c(C)c1 ZINC001207716057 968867780 /nfs/dbraw/zinc/86/77/80/968867780.db2.gz SJIWGTPWAYDDLK-UHFFFAOYSA-N 1 0 245.322 2.237 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1cc(C(C)C)no1 ZINC001252616824 968875338 /nfs/dbraw/zinc/87/53/38/968875338.db2.gz UMOWYFFTWSLWDU-LLVKDONJSA-N 1 0 238.331 2.215 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccc(OC)cc1 ZINC001252616953 968875481 /nfs/dbraw/zinc/87/54/81/968875481.db2.gz WQBFWQPRBNLUCC-CQSZACIVSA-N 1 0 249.354 2.154 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC001252616567 968875659 /nfs/dbraw/zinc/87/56/59/968875659.db2.gz QXHURNRITKNZKV-ZIAGYGMSSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001252620030 968879299 /nfs/dbraw/zinc/87/92/99/968879299.db2.gz QDDNOQQSNUKQOS-SWLSCSKDSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC(=O)c1ccc(C)cc1 ZINC001252620745 968879912 /nfs/dbraw/zinc/87/99/12/968879912.db2.gz NXYAEBDDZZYNAZ-CQSZACIVSA-N 1 0 247.338 2.094 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)Cc1cccc(O)c1 ZINC001252620032 968881171 /nfs/dbraw/zinc/88/11/71/968881171.db2.gz QDDNOQQSNUKQOS-WFASDCNBSA-N 1 0 249.354 2.240 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1CC2(CCC2)C1 ZINC001252621433 968882710 /nfs/dbraw/zinc/88/27/10/968882710.db2.gz BXHDMIJDEBVNEP-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCCOC(C)(C)C ZINC001252621736 968883777 /nfs/dbraw/zinc/88/37/77/968883777.db2.gz GZEZBILLQLKEQY-GFCCVEGCSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CC1Cc2ccccc2C1 ZINC001252621787 968884111 /nfs/dbraw/zinc/88/41/11/968884111.db2.gz IKGLLTCAQKYPDT-MRXNPFEDSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CCC[C@H](O)CNC(=[NH2+])c1ccc(C)c(C)c1 ZINC001252623964 968885367 /nfs/dbraw/zinc/88/53/67/968885367.db2.gz UQNXNCQNCOMPMM-AWEZNQCLSA-N 1 0 246.354 2.336 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)/C=C(/C)C1CC1 ZINC001155172032 968912515 /nfs/dbraw/zinc/91/25/15/968912515.db2.gz XDQJZRUMGLCTCL-XFXZXTDPSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C2=CCCC2)C1 ZINC001086060232 968930561 /nfs/dbraw/zinc/93/05/61/968930561.db2.gz JWHNCZNKHGXNMY-XBXGTLAGSA-N 1 0 248.370 2.157 20 30 BEEDRO CC1(C[N@@H+]2CCC[C@@H](C#N)C2)CCOCC1 ZINC001207969660 968968935 /nfs/dbraw/zinc/96/89/35/968968935.db2.gz RADSNKAPEFKJDB-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C#CC1CC[NH+](CC2(C)CCOCC2)CC1 ZINC001208076966 968980071 /nfs/dbraw/zinc/98/00/71/968980071.db2.gz NNBSXKLYEZRBEH-UHFFFAOYSA-N 1 0 221.344 2.148 20 30 BEEDRO COc1cc(C2=CC[N@H+](C)CC2)cc(F)c1C#N ZINC001241333070 968981113 /nfs/dbraw/zinc/98/11/13/968981113.db2.gz QUVBSSCVROOIHX-UHFFFAOYSA-N 1 0 246.285 2.425 20 30 BEEDRO C#CC1([NH2+]C[C@H](O)CCC)CCCCC1 ZINC001252807856 968994946 /nfs/dbraw/zinc/99/49/46/968994946.db2.gz NCIASDFJZMJHGW-GFCCVEGCSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CC1([NH2+]C[C@@H](O)CCC)CCCCC1 ZINC001252807857 968995878 /nfs/dbraw/zinc/99/58/78/968995878.db2.gz NCIASDFJZMJHGW-LBPRGKRZSA-N 1 0 209.333 2.073 20 30 BEEDRO CCC[C@H](O)C[NH2+]CCCCCCS ZINC001252808543 968997024 /nfs/dbraw/zinc/99/70/24/968997024.db2.gz SZEPMSKHEQSBCX-NSHDSACASA-N 1 0 219.394 2.227 20 30 BEEDRO CCCCCCC/C=C/C[N@H+](C)C[C@H](O)CO ZINC001208119912 969013161 /nfs/dbraw/zinc/01/31/61/969013161.db2.gz IVMKUJHTJMOXTG-HBWSCVEGSA-N 1 0 243.391 2.188 20 30 BEEDRO CC(C)(S)C[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC001252865199 969036437 /nfs/dbraw/zinc/03/64/37/969036437.db2.gz WNUUNVCVEOVTHJ-NSHDSACASA-N 1 0 243.347 2.157 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]1CC[N@H+]1CCC ZINC001323245337 1169931034 /nfs/dbraw/zinc/93/10/34/1169931034.db2.gz ZQUISDHZOFDOGZ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH+](C)Cc1ccnc(NC2=CC(=O)CCC2)c1 ZINC001155709359 969077336 /nfs/dbraw/zinc/07/73/36/969077336.db2.gz JXRRSACYGGDXHE-UHFFFAOYSA-N 1 0 245.326 2.192 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H]1CCOC1 ZINC001253246263 969120092 /nfs/dbraw/zinc/12/00/92/969120092.db2.gz LPLWEWKHVIPUJL-KBPBESRZSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CC[C@@H](C)O ZINC001253256273 969122959 /nfs/dbraw/zinc/12/29/59/969122959.db2.gz UISJJPSVQLBXMH-KGLIPLIRSA-N 1 0 243.391 2.234 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000165862396 969130300 /nfs/dbraw/zinc/13/03/00/969130300.db2.gz XSBGNTPGPTVEFI-MEBBXXQBSA-N 1 0 223.341 2.088 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC001253286367 969130653 /nfs/dbraw/zinc/13/06/53/969130653.db2.gz JRIMPTZMABFBIY-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC001253442214 969175256 /nfs/dbraw/zinc/17/52/56/969175256.db2.gz INIFBWXJBFRKDR-CQSZACIVSA-N 1 0 243.354 2.290 20 30 BEEDRO N#CCc1ccncc1C1=C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001242025780 969176342 /nfs/dbraw/zinc/17/63/42/969176342.db2.gz HYFWTFOVBGAIDC-OLZOCXBDSA-N 1 0 225.295 2.055 20 30 BEEDRO CCCCC[C@H](O)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001253540011 969211866 /nfs/dbraw/zinc/21/18/66/969211866.db2.gz CBINAKUCONGNRC-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCC(C)(C)C ZINC001168795654 969220819 /nfs/dbraw/zinc/22/08/19/969220819.db2.gz PGYWZIAWPMUZBD-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO Cc1oc(N=C2CC[NH+](C)CC2)c(C#N)c1C ZINC001208741042 969226066 /nfs/dbraw/zinc/22/60/66/969226066.db2.gz BYJNERXNPGHHHI-UHFFFAOYSA-N 1 0 231.299 2.399 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2C1 ZINC001253567013 969237783 /nfs/dbraw/zinc/23/77/83/969237783.db2.gz JKQDWQDMBCKIKE-ZDUSSCGKSA-N 1 0 237.730 2.245 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(F)c(C#N)c2)CC1 ZINC001208837967 969251475 /nfs/dbraw/zinc/25/14/75/969251475.db2.gz LUXLGRCXPWWVFO-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCSC[C@@H]1c1ccccc1 ZINC001253578778 969253137 /nfs/dbraw/zinc/25/31/37/969253137.db2.gz ICWBLFHJJQJHRX-UONOGXRCSA-N 1 0 249.379 2.323 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001253579195 969257204 /nfs/dbraw/zinc/25/72/04/969257204.db2.gz NQDJKGVPCPGLQF-AGIUHOORSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@H](O)C[N@H+](CC)CCc1ccc(OC)cc1 ZINC001253584028 969259907 /nfs/dbraw/zinc/25/99/07/969259907.db2.gz CRMUUAZEWYTURP-CQSZACIVSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC001253582294 969261008 /nfs/dbraw/zinc/26/10/08/969261008.db2.gz NCGVFWWARFEWKP-MNOVXSKESA-N 1 0 223.341 2.432 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)CCCc1cccc(OC)c1 ZINC001253583533 969261471 /nfs/dbraw/zinc/26/14/71/969261471.db2.gz GLVBWHNMLMWCCB-CQSZACIVSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)C/C=C/c1ccccc1 ZINC001253583838 969261847 /nfs/dbraw/zinc/26/18/47/969261847.db2.gz INDRBYWOGNWTNV-DNGMOHDESA-N 1 0 217.312 2.179 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001253587143 969273640 /nfs/dbraw/zinc/27/36/40/969273640.db2.gz ZTMKTKYSYZOJEE-XQQFMLRXSA-N 1 0 229.323 2.120 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(c2ccc(O)cc2)CC1 ZINC001253586962 969275070 /nfs/dbraw/zinc/27/50/70/969275070.db2.gz VYQYRSLGJOTGPC-AWEZNQCLSA-N 1 0 247.338 2.119 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC001253588718 969277148 /nfs/dbraw/zinc/27/71/48/969277148.db2.gz HKCJKPABDRQCJX-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCC2(C1)CCCCC2 ZINC001253588717 969278044 /nfs/dbraw/zinc/27/80/44/969278044.db2.gz HKCJKPABDRQCJX-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)C=C(C)C ZINC001168950963 969288556 /nfs/dbraw/zinc/28/85/56/969288556.db2.gz GQHWUJWSQLKFMZ-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1c(C)[nH]c2ccccc21 ZINC001253597151 969288716 /nfs/dbraw/zinc/28/87/16/969288716.db2.gz BIJKAUXTGCLMHR-GFCCVEGCSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001253598795 969290116 /nfs/dbraw/zinc/29/01/16/969290116.db2.gz YGFGWHVCEVEMJU-WCQYABFASA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1cccc(C)c1 ZINC001253598794 969291210 /nfs/dbraw/zinc/29/12/10/969291210.db2.gz YGFGWHVCEVEMJU-DGCLKSJQSA-N 1 0 205.301 2.193 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)COc1cc(C)cc(C)c1 ZINC001253598996 969291487 /nfs/dbraw/zinc/29/14/87/969291487.db2.gz CSUSUISVYPOWRT-KGLIPLIRSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC001253603136 969298802 /nfs/dbraw/zinc/29/88/02/969298802.db2.gz QZCDHNDHYDZXEY-DGCLKSJQSA-N 1 0 237.730 2.464 20 30 BEEDRO CCC(=O)C(C)(C)C[NH+]1CCC(C#N)CC1 ZINC001208916054 969300941 /nfs/dbraw/zinc/30/09/41/969300941.db2.gz MXGLEYDDBDLMGJ-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](CC)c1ccc(C)o1 ZINC001253603923 969301261 /nfs/dbraw/zinc/30/12/61/969301261.db2.gz DVRKUFDGVFZVLB-GHMZBOCLSA-N 1 0 209.289 2.176 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(Cl)c(F)cc1F ZINC001253604132 969302974 /nfs/dbraw/zinc/30/29/74/969302974.db2.gz GMSTZVZPQAXDGF-MRVPVSSYSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(F)c1 ZINC001253605575 969303159 /nfs/dbraw/zinc/30/31/59/969303159.db2.gz UJRFAEGUMDXMRG-GXSJLCMTSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC001253607472 969303719 /nfs/dbraw/zinc/30/37/19/969303719.db2.gz XPQQWPDAOAXHAY-CYBMUJFWSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1F ZINC001253607007 969303875 /nfs/dbraw/zinc/30/38/75/969303875.db2.gz QEZAKTRIYKUGOE-VHSXEESVSA-N 1 0 241.281 2.471 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccccc1OC ZINC001253606654 969304537 /nfs/dbraw/zinc/30/45/37/969304537.db2.gz LYHRLWXGOXJKJI-NSHDSACASA-N 1 0 235.327 2.067 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1ccc(F)cc1 ZINC001253606961 969305579 /nfs/dbraw/zinc/30/55/79/969305579.db2.gz OVUZQGXRIFWPNN-LBPRGKRZSA-N 1 0 223.291 2.197 20 30 BEEDRO C=C[C@H](O)C[NH2+]C1(Cc2cccc(F)c2)CC1 ZINC001253607047 969305995 /nfs/dbraw/zinc/30/59/95/969305995.db2.gz QVDALPLAPFQYOR-ZDUSSCGKSA-N 1 0 235.302 2.037 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccc(F)cc2)CC1 ZINC001253607268 969306071 /nfs/dbraw/zinc/30/60/71/969306071.db2.gz TZHWXPJMHXTXTL-AWEZNQCLSA-N 1 0 249.329 2.285 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(Cc2ccccc2F)CCC1 ZINC001253608736 969308469 /nfs/dbraw/zinc/30/84/69/969308469.db2.gz GHXWDSFVOYHSEN-CYBMUJFWSA-N 1 0 249.329 2.427 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(C)CCC(F)(F)CC1 ZINC001253610014 969310121 /nfs/dbraw/zinc/31/01/21/969310121.db2.gz OSSRYLFNQKAXNY-JTQLQIEISA-N 1 0 233.302 2.339 20 30 BEEDRO C=C[C@H](O)C[NH2+]C[C@H]1CCCc2ccccc21 ZINC001253610330 969311084 /nfs/dbraw/zinc/31/10/84/969311084.db2.gz DDNLHTBELLZOPB-KGLIPLIRSA-N 1 0 231.339 2.243 20 30 BEEDRO C[N@H+]1CC=C(Nc2cc(F)c(C#N)c(F)c2)CC1 ZINC001208980768 969316638 /nfs/dbraw/zinc/31/66/38/969316638.db2.gz WTRZCURWECZGHC-UHFFFAOYSA-N 1 0 249.264 2.468 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040397 969355596 /nfs/dbraw/zinc/35/55/96/969355596.db2.gz ZPOWCFFDOGFEEQ-VXGBXAGGSA-N 1 0 226.320 2.330 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037246 969357095 /nfs/dbraw/zinc/35/70/95/969357095.db2.gz RKOYUXHGXLYMLP-NWDGAFQWSA-N 1 0 224.304 2.106 20 30 BEEDRO C=CCCC[NH+]1CCC2(CCCC(=O)N2)CC1 ZINC001209162607 969360735 /nfs/dbraw/zinc/36/07/35/969360735.db2.gz WUXVTGBJNHVORM-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@]12CC(=O)N(C)C2 ZINC001209160989 969362553 /nfs/dbraw/zinc/36/25/53/969362553.db2.gz GCSHAZYSBWAXCO-AWEZNQCLSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](C(=O)OC)[C@@H]1C ZINC001209160352 969363056 /nfs/dbraw/zinc/36/30/56/969363056.db2.gz SMHRJSNVSRDLFC-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[NH+]1CCC(N(CC)C(C)=O)CC1 ZINC001209164357 969366347 /nfs/dbraw/zinc/36/63/47/969366347.db2.gz WUDZARALEIPODT-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C(=O)OC)CC1 ZINC001209165728 969368154 /nfs/dbraw/zinc/36/81/54/969368154.db2.gz UTKGWBDDUIPASZ-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H]2[C@H]1CCC(=O)N2C ZINC001209203022 969387780 /nfs/dbraw/zinc/38/77/80/969387780.db2.gz KQQAZNRUNNVSNR-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001209201585 969389359 /nfs/dbraw/zinc/38/93/59/969389359.db2.gz OMGYEMIXCAARCF-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001209207987 969398634 /nfs/dbraw/zinc/39/86/34/969398634.db2.gz IZAZLCCEKMLXTN-CYBMUJFWSA-N 1 0 247.342 2.286 20 30 BEEDRO C=CCCCC[N@@H+]1[C@@H](C(=O)OC)[C@@H]2CC[C@H]1C2 ZINC001209208641 969399314 /nfs/dbraw/zinc/39/93/14/969399314.db2.gz VVZYQULQQDKBLS-FRRDWIJNSA-N 1 0 237.343 2.369 20 30 BEEDRO COCCCC[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001209217491 969404594 /nfs/dbraw/zinc/40/45/94/969404594.db2.gz GASZCPRPEPVXTD-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H](Oc2ccncc2)C1 ZINC001209268323 969420419 /nfs/dbraw/zinc/42/04/19/969420419.db2.gz YLIHUPANBTVNDO-OAHLLOKOSA-N 1 0 244.338 2.338 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](c2nc(CC)no2)C1 ZINC001209269979 969422595 /nfs/dbraw/zinc/42/25/95/969422595.db2.gz SPAYYPKFNHOUHO-LBPRGKRZSA-N 1 0 247.342 2.225 20 30 BEEDRO N#C[C@@H]1CCCN1CC1Cc2ccccc2C1 ZINC001209319488 969442587 /nfs/dbraw/zinc/44/25/87/969442587.db2.gz HJKHLUXURRAIDG-HNNXBMFYSA-N 1 0 226.323 2.389 20 30 BEEDRO N#C[C@H]1CC[N@H+](CC2Cc3ccccc3C2)C1 ZINC001209322187 969442920 /nfs/dbraw/zinc/44/29/20/969442920.db2.gz WZCZQJYDJZHIKI-GFCCVEGCSA-N 1 0 226.323 2.247 20 30 BEEDRO C#CC[N@@H+](C)CCCCCCC(=O)OCC ZINC001209352555 969447367 /nfs/dbraw/zinc/44/73/67/969447367.db2.gz UGPYFUUAGWHJKF-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=CCCCCC[N@H+]1CCc2nccn2CC1 ZINC001209428236 969496953 /nfs/dbraw/zinc/49/69/53/969496953.db2.gz CRCZRSHKGIQXDU-UHFFFAOYSA-N 1 0 233.359 2.488 20 30 BEEDRO C=CCCCCCCCC[NH+]1CC(C(N)=O)C1 ZINC001209446233 969514805 /nfs/dbraw/zinc/51/48/05/969514805.db2.gz TZBXKHWFMGNZQN-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO CCN1CCC([N@@H+]2CCC[C@H](C#N)CC2)CC1 ZINC001169263771 969521028 /nfs/dbraw/zinc/52/10/28/969521028.db2.gz AXYAADLYAFLBNC-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[NH+]1CCC(NC2(CC#N)CCCC2)CC1 ZINC001169244391 969531446 /nfs/dbraw/zinc/53/14/46/969531446.db2.gz LSFSEGADXSXYDI-UHFFFAOYSA-N 1 0 235.375 2.287 20 30 BEEDRO SCCCCCC[NH2+][C@@H]1CCCOC1 ZINC001254372031 969584399 /nfs/dbraw/zinc/58/43/99/969584399.db2.gz FTNSMNKULBOPRL-LLVKDONJSA-N 1 0 217.378 2.245 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@H+]([C@@H]1CCCOC1)CC2 ZINC001254378460 969596042 /nfs/dbraw/zinc/59/60/42/969596042.db2.gz VMJAIFBKXQXTRU-OAHLLOKOSA-N 1 0 242.322 2.095 20 30 BEEDRO SCC[NH2+]C1CCc2ccccc2CC1 ZINC001254450464 969643102 /nfs/dbraw/zinc/64/31/02/969643102.db2.gz SQGWTLRJCOLAJQ-UHFFFAOYSA-N 1 0 221.369 2.453 20 30 BEEDRO C[N@@H+]1CCC[C@@H](N[C@@H](C#N)c2ccccc2)CC1 ZINC001254497584 969659239 /nfs/dbraw/zinc/65/92/39/969659239.db2.gz LKPATZLIPAUREY-CABCVRRESA-N 1 0 243.354 2.325 20 30 BEEDRO C[N@@H+]1CCC[C@H](NCc2csc(C#N)c2)CC1 ZINC001254509981 969681776 /nfs/dbraw/zinc/68/17/76/969681776.db2.gz KYIIHGNQSQSMPE-LBPRGKRZSA-N 1 0 249.383 2.194 20 30 BEEDRO Cc1cnc(Nc2c[nH+]c(N)cc2C)c(C#N)c1 ZINC001209966148 969731018 /nfs/dbraw/zinc/73/10/18/969731018.db2.gz BATMFJJQGKWDAC-UHFFFAOYSA-N 1 0 239.282 2.291 20 30 BEEDRO Cc1cc(Nc2c[nH+]c(N)cc2C)cnc1C#N ZINC001209967060 969733280 /nfs/dbraw/zinc/73/32/80/969733280.db2.gz MGRQEKQIEKWPQY-UHFFFAOYSA-N 1 0 239.282 2.291 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539607 969736389 /nfs/dbraw/zinc/73/63/89/969736389.db2.gz FVRSCAZZYWGJRD-LLVKDONJSA-N 1 0 232.283 2.139 20 30 BEEDRO C#CC(C)(C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254572451 969739537 /nfs/dbraw/zinc/73/95/37/969739537.db2.gz NQKDBXDUFFSVOA-LBPRGKRZSA-N 1 0 244.294 2.063 20 30 BEEDRO C=CCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575607 969739666 /nfs/dbraw/zinc/73/96/66/969739666.db2.gz RHHZAHLDFOSNBJ-LBPRGKRZSA-N 1 0 232.283 2.228 20 30 BEEDRO C=CCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575606 969741203 /nfs/dbraw/zinc/74/12/03/969741203.db2.gz RHHZAHLDFOSNBJ-GFCCVEGCSA-N 1 0 232.283 2.228 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603971 969744226 /nfs/dbraw/zinc/74/42/26/969744226.db2.gz RLVLUGYYHVOFPB-CYBMUJFWSA-N 1 0 232.283 2.180 20 30 BEEDRO Cc1ccnc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC001254634510 969751186 /nfs/dbraw/zinc/75/11/86/969751186.db2.gz HGKGYVCILZSXHE-NWDGAFQWSA-N 1 0 215.300 2.172 20 30 BEEDRO N#C[C@@H]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001254636138 969753957 /nfs/dbraw/zinc/75/39/57/969753957.db2.gz IYJFVNRNLHQRTM-MFKMUULPSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001254636136 969755134 /nfs/dbraw/zinc/75/51/34/969755134.db2.gz IYJFVNRNLHQRTM-GWCFXTLKSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2cccs2)C1 ZINC001254644047 969758252 /nfs/dbraw/zinc/75/82/52/969758252.db2.gz PXXIXCJLQNIUFQ-GMTAPVOTSA-N 1 0 236.340 2.063 20 30 BEEDRO CC(C)Cn1cnc(C[NH2+][C@H]2CC[C@H](C#N)C2)c1 ZINC001254646965 969760265 /nfs/dbraw/zinc/76/02/65/969760265.db2.gz DMKZNWHWGSDWFB-STQMWFEESA-N 1 0 246.358 2.321 20 30 BEEDRO N#C[C@@H]1CC[C@@H](NC(=[NH2+])c2cccnc2Cl)C1 ZINC001254647813 969762359 /nfs/dbraw/zinc/76/23/59/969762359.db2.gz VVXCNDFIMQEOMV-RKDXNWHRSA-N 1 0 248.717 2.342 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2C[C@@H](C[NH3+])c3ccccc32)C1 ZINC001254648022 969762664 /nfs/dbraw/zinc/76/26/64/969762664.db2.gz XCGOSTFXDINNBE-UPJWGTAASA-N 1 0 241.338 2.241 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(CC3CCC3)C2)C1 ZINC001254650598 969763449 /nfs/dbraw/zinc/76/34/49/969763449.db2.gz WAGALAZTNNPXJJ-ILXRZTDVSA-N 1 0 247.386 2.143 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001254655093 969765876 /nfs/dbraw/zinc/76/58/76/969765876.db2.gz YOYHEWJMIKYJSX-CABCVRRESA-N 1 0 244.338 2.173 20 30 BEEDRO Cc1cccc([C@@H](CO)[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC001254657286 969768821 /nfs/dbraw/zinc/76/88/21/969768821.db2.gz OIPZGOPWZDRCSN-VHDGCEQUSA-N 1 0 244.338 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@H]3[C@H](CC3(F)F)C2)C1 ZINC001254659377 969768862 /nfs/dbraw/zinc/76/88/62/969768862.db2.gz PCERXHBOESQZEV-DBIOUOCHSA-N 1 0 226.270 2.266 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@]3(C2)CCCCO3)C1 ZINC001254661826 969774686 /nfs/dbraw/zinc/77/46/86/969774686.db2.gz YCUIIOZJSMUXLY-RDBSUJKOSA-N 1 0 234.343 2.324 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)C1 ZINC001254670830 969777468 /nfs/dbraw/zinc/77/74/68/969777468.db2.gz MRFUYAZVWCKZTP-LVEVGFFFSA-N 1 0 208.280 2.111 20 30 BEEDRO CC(C)[N@H+]([C@@H]1CC[C@H](C#N)C1)C1CCN(C)CC1 ZINC001254676031 969779476 /nfs/dbraw/zinc/77/94/76/969779476.db2.gz IGGUIHSKYXXGQB-DZGCQCFKSA-N 1 0 249.402 2.483 20 30 BEEDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@@H](C#N)C1 ZINC001254673637 969780134 /nfs/dbraw/zinc/78/01/34/969780134.db2.gz MSGZBIMHZFITCU-LSGALXMHSA-N 1 0 234.343 2.320 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254675881 969780751 /nfs/dbraw/zinc/78/07/51/969780751.db2.gz GWPZZNYMIPTYAA-YNEHKIRRSA-N 1 0 222.332 2.035 20 30 BEEDRO COC1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CC[C@H](C#N)C1 ZINC001254673636 969782015 /nfs/dbraw/zinc/78/20/15/969782015.db2.gz MSGZBIMHZFITCU-IZXDZPFWSA-N 1 0 234.343 2.320 20 30 BEEDRO CC[N@H+](C)C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254677421 969784401 /nfs/dbraw/zinc/78/44/01/969784401.db2.gz SXYGMPPJCQHGTC-TZMCWYRMSA-N 1 0 235.375 2.095 20 30 BEEDRO CCC[C@@](C)(C#N)N[C@@H]1CC2CC[NH+](CC2)C1 ZINC001254848745 969803052 /nfs/dbraw/zinc/80/30/52/969803052.db2.gz VXODRWUYUHTPGW-KGLIPLIRSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCC[NH2+][C@H]1CC2CCN(CC2)C1 ZINC001254847486 969803844 /nfs/dbraw/zinc/80/38/44/969803844.db2.gz HPGIHRHZPQTULM-ZDUSSCGKSA-N 1 0 208.349 2.027 20 30 BEEDRO C#C[C@](C)(CC)Nc1ncc2c(C)c[nH]c2n1 ZINC001169693017 969813472 /nfs/dbraw/zinc/81/34/72/969813472.db2.gz SHAQMMSLCVETFH-CYBMUJFWSA-N 1 0 228.299 2.432 20 30 BEEDRO Cc1nc(-n2ccc(C[NH3+])c2)c(C#N)c(C)c1C ZINC001169726026 969817057 /nfs/dbraw/zinc/81/70/57/969817057.db2.gz SHUFKSSDMFDONB-UHFFFAOYSA-N 1 0 240.310 2.128 20 30 BEEDRO CC(C)(C)C#CC[NH2+]C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254929388 969824154 /nfs/dbraw/zinc/82/41/54/969824154.db2.gz RKKOFAAPIRAHDD-VXGBXAGGSA-N 1 0 233.355 2.383 20 30 BEEDRO CC(C)(C)C#CC[NH2+]C1C[C@H]2CC(=O)C[C@@H]2C1 ZINC001254929385 969824170 /nfs/dbraw/zinc/82/41/70/969824170.db2.gz RKKOFAAPIRAHDD-RYUDHWBXSA-N 1 0 233.355 2.383 20 30 BEEDRO C#C[C@](C)(CC)Nc1ccc2c([nH+]1)NCCO2 ZINC001169700636 969824857 /nfs/dbraw/zinc/82/48/57/969824857.db2.gz UIFKWGCXCMQWAF-CYBMUJFWSA-N 1 0 231.299 2.100 20 30 BEEDRO C[NH+](C)CCC(C)(C)Nc1cncc(CC#N)c1 ZINC001169718320 969832477 /nfs/dbraw/zinc/83/24/77/969832477.db2.gz LHXPCPDBOWDEGY-UHFFFAOYSA-N 1 0 246.358 2.290 20 30 BEEDRO Cc1ccnc(C#N)c1NC(C)(C)CC[NH+](C)C ZINC001169717394 969832871 /nfs/dbraw/zinc/83/28/71/969832871.db2.gz DLFOHXBJFWZVHP-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO SCCCCCC[NH2+]C1CCOCC1 ZINC001255037184 969859552 /nfs/dbraw/zinc/85/95/52/969859552.db2.gz WDAHUFLVVNAHND-UHFFFAOYSA-N 1 0 217.378 2.245 20 30 BEEDRO Cc1cc(C#N)cc(Nc2c[nH+]cn2C)c1 ZINC001210388348 969882659 /nfs/dbraw/zinc/88/26/59/969882659.db2.gz JYIRVJTXTWCHNZ-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C=C(C)C)C2 ZINC001108898329 969907746 /nfs/dbraw/zinc/90/77/46/969907746.db2.gz KSJAIFHYIKHTID-RDBSUJKOSA-N 1 0 248.370 2.250 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1ccc(O)c(OC)c1 ZINC001255151566 969956283 /nfs/dbraw/zinc/95/62/83/969956283.db2.gz FIOFAQQQLZLIJQ-GFCCVEGCSA-N 1 0 248.326 2.225 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001255156780 969964920 /nfs/dbraw/zinc/96/49/20/969964920.db2.gz RYJNTQOHAIQTOU-SDDRHHMPSA-N 1 0 205.305 2.351 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC(C)(C)N(O)C1(C)C ZINC001255156607 969965033 /nfs/dbraw/zinc/96/50/33/969965033.db2.gz MBLWGMQLYNAJPH-GHMZBOCLSA-N 1 0 239.363 2.289 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCC(=O)c1cccnc1 ZINC001255163261 969972409 /nfs/dbraw/zinc/97/24/09/969972409.db2.gz FFCORYDBEJRXQH-CYBMUJFWSA-N 1 0 245.326 2.326 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001255163586 969973935 /nfs/dbraw/zinc/97/39/35/969973935.db2.gz AMOCSHUXAKNUOA-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(CO)cc1 ZINC001255162331 969974627 /nfs/dbraw/zinc/97/46/27/969974627.db2.gz NPURWUFSNVWGLJ-AWEZNQCLSA-N 1 0 232.327 2.003 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CCC1CC1 ZINC001156672784 969976933 /nfs/dbraw/zinc/97/69/33/969976933.db2.gz XWTAFCYECAQPJO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO CC[C@@H](CC#N)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001255167889 969980039 /nfs/dbraw/zinc/98/00/39/969980039.db2.gz JMYVMQPUBGOUQF-AWEZNQCLSA-N 1 0 247.386 2.096 20 30 BEEDRO CCCCC[NH+]1CCN([C@H](CC)CC#N)CC1 ZINC001255171746 969982994 /nfs/dbraw/zinc/98/29/94/969982994.db2.gz AFEBILNPDJQPMW-CQSZACIVSA-N 1 0 237.391 2.486 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC(CC#N)CC1 ZINC001255172490 969984696 /nfs/dbraw/zinc/98/46/96/969984696.db2.gz BBOXSRAFIYWMIV-LBPRGKRZSA-N 1 0 205.305 2.304 20 30 BEEDRO CCCC[NH+]1CCN([C@H](CC)CC#N)CC1 ZINC001255172021 969986275 /nfs/dbraw/zinc/98/62/75/969986275.db2.gz HMCMBJCCBUTGJN-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC(n2cccn2)CC1 ZINC001255174838 969987194 /nfs/dbraw/zinc/98/71/94/969987194.db2.gz JLNLDMGIOIWUAA-LBPRGKRZSA-N 1 0 232.331 2.212 20 30 BEEDRO CC[C@H](CC#N)N1CCC([N@H+](C)C2CC2)CC1 ZINC001255176055 969991359 /nfs/dbraw/zinc/99/13/59/969991359.db2.gz VPPJCAYJMUKQLG-GFCCVEGCSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[N@@H+](C)C1CCC(C(=O)OCC)CC1 ZINC001255265434 970014636 /nfs/dbraw/zinc/01/46/36/970014636.db2.gz PPDVSGFJIQSNTO-UHFFFAOYSA-N 1 0 225.332 2.226 20 30 BEEDRO C[C@H]1CC(=O)C=C(c2ccc3c(n2)CC[NH2+]C3)C1 ZINC001242734725 970038074 /nfs/dbraw/zinc/03/80/74/970038074.db2.gz BRKPEAJWRLAHKL-SNVBAGLBSA-N 1 0 242.322 2.110 20 30 BEEDRO Cc1cc(Nc2[nH+]ccn2C)ccc1C#N ZINC001210803259 970046500 /nfs/dbraw/zinc/04/65/00/970046500.db2.gz NTJPYJVHMHYERB-UHFFFAOYSA-N 1 0 212.256 2.344 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H](C)CCCC ZINC001255312531 970080690 /nfs/dbraw/zinc/08/06/90/970080690.db2.gz QUDNJBDQERJLAA-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO CCCC[C@@H](C)NC(=[NH2+])c1ccc(C(N)=O)cc1 ZINC001255316556 970089690 /nfs/dbraw/zinc/08/96/90/970089690.db2.gz YUYNFWPSSDXTQY-SNVBAGLBSA-N 1 0 247.342 2.070 20 30 BEEDRO CN(c1cccc(F)c1CC#N)C(C)(C)C[NH3+] ZINC001170060134 970112421 /nfs/dbraw/zinc/11/24/21/970112421.db2.gz ICGQOLMHTPMOIQ-UHFFFAOYSA-N 1 0 235.306 2.065 20 30 BEEDRO CN(c1cc(F)cc(CC#N)c1)C(C)(C)C[NH3+] ZINC001170060941 970120966 /nfs/dbraw/zinc/12/09/66/970120966.db2.gz YGASQYXRMGPJAS-UHFFFAOYSA-N 1 0 235.306 2.065 20 30 BEEDRO CCOC(=O)[C@H]1CCC[C@@H]([NH2+]CCCS)C1 ZINC001255344635 970122261 /nfs/dbraw/zinc/12/22/61/970122261.db2.gz RJEWXNUHVJUHLB-WDEREUQCSA-N 1 0 245.388 2.018 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)[C@H](C)CC)CC1 ZINC001112618037 970125423 /nfs/dbraw/zinc/12/54/23/970125423.db2.gz QGRRNBNQKTZNPO-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO Cc1occc1[NH+]=C(NO)c1ccccc1N ZINC001211243478 970185890 /nfs/dbraw/zinc/18/58/90/970185890.db2.gz NFNXFPNZFHRKGF-UHFFFAOYSA-N 1 0 231.255 2.227 20 30 BEEDRO COc1cc(C#N)cc(Nc2c[nH+]cn2C)c1 ZINC001211252476 970197674 /nfs/dbraw/zinc/19/76/74/970197674.db2.gz OHTHMXFXOJAACC-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C=C(C)CCC(=O)N1CC[NH+](CC(C)C)CC1 ZINC001112898445 970207870 /nfs/dbraw/zinc/20/78/70/970207870.db2.gz RBHUWFYOMHUXBO-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO COc1c[nH+]ccc1Nc1ccc(F)c(C#N)c1 ZINC001211260541 970208179 /nfs/dbraw/zinc/20/81/79/970208179.db2.gz NHHVBJXEGSSRPX-UHFFFAOYSA-N 1 0 243.241 2.266 20 30 BEEDRO Cc1ccc(C(=[NH2+])N[C@@H]2CCCN(C)C2)cc1C ZINC001255479472 970208816 /nfs/dbraw/zinc/20/88/16/970208816.db2.gz ILHPXIMHOJGSQC-CQSZACIVSA-N 1 0 245.370 2.103 20 30 BEEDRO Cc1ccc(C(=[NH2+])N[C@H]2CCCN(C)C2)cc1C ZINC001255479471 970210104 /nfs/dbraw/zinc/21/01/04/970210104.db2.gz ILHPXIMHOJGSQC-AWEZNQCLSA-N 1 0 245.370 2.103 20 30 BEEDRO C#Cc1ccc(Nc2cc[nH+]cc2OC)cc1F ZINC001211264549 970211742 /nfs/dbraw/zinc/21/17/42/970211742.db2.gz KUPQASUAYAXRJA-UHFFFAOYSA-N 1 0 242.253 2.376 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001170119737 970352217 /nfs/dbraw/zinc/35/22/17/970352217.db2.gz BWJVHSKFLAVXSR-GXSJLCMTSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@H](C#N)N(C)c1ccc(C[NH+]2CCCC2)cn1 ZINC001157489448 970379877 /nfs/dbraw/zinc/37/98/77/970379877.db2.gz DDKKIYFNWIASEH-GFCCVEGCSA-N 1 0 244.342 2.026 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001214149678 970445887 /nfs/dbraw/zinc/44/58/87/970445887.db2.gz ORHXMECJEDUDCX-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCN1CC[NH+](Cc2cc(C)sc2C)CC1 ZINC000179272087 970502995 /nfs/dbraw/zinc/50/29/95/970502995.db2.gz OBLHONBIOXSIGF-UHFFFAOYSA-N 1 0 248.395 2.116 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+]C1CCCCCC1 ZINC001255881125 970542957 /nfs/dbraw/zinc/54/29/57/970542957.db2.gz CKOWDZWAHBRVHR-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC001170176278 970549039 /nfs/dbraw/zinc/54/90/39/970549039.db2.gz VAAPHKLTLQCOHC-YNEHKIRRSA-N 1 0 209.333 2.336 20 30 BEEDRO COc1ccc(Nc2[nH+]ccn2C)cc1C#N ZINC001214991371 970591763 /nfs/dbraw/zinc/59/17/63/970591763.db2.gz MKQCHLXRGOTURM-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO CC[C@H]1C[C@@H]([NH+]2CCC(C#N)CC2)CCO1 ZINC001170204011 970601822 /nfs/dbraw/zinc/60/18/22/970601822.db2.gz NWTUZCPTWXTPAM-STQMWFEESA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN(C(=O)OCC)C1 ZINC001256038353 970625158 /nfs/dbraw/zinc/62/51/58/970625158.db2.gz OVVANJMHWWCMAT-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C1CCN(C2CC2)CC1 ZINC001256066006 970630578 /nfs/dbraw/zinc/63/05/78/970630578.db2.gz NZKAVHTUHRQQPY-UHFFFAOYSA-N 1 0 234.387 2.395 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCO[C@H](CC)C2)C1 ZINC001170227387 970633260 /nfs/dbraw/zinc/63/32/60/970633260.db2.gz NVYCMSDMNIBLGT-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO Cc1cc(NCC2C[NH+](C)C2)ccc1CC#N ZINC001170256376 970642492 /nfs/dbraw/zinc/64/24/92/970642492.db2.gz ITNDCOKUPQJTTI-UHFFFAOYSA-N 1 0 229.327 2.035 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)C1 ZINC001256079574 970649824 /nfs/dbraw/zinc/64/98/24/970649824.db2.gz MJTZSHKUZHXLFN-CYBMUJFWSA-N 1 0 247.386 2.239 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+](C2CCN(C3CC3)CC2)CC1 ZINC001256078656 970649890 /nfs/dbraw/zinc/64/98/90/970649890.db2.gz CJPDZUUMEBGUFZ-CYBMUJFWSA-N 1 0 247.386 2.239 20 30 BEEDRO C#CC1([NH2+][C@@H](C)Cc2cccc(OC)c2)CC1 ZINC001256151582 970675207 /nfs/dbraw/zinc/67/52/07/970675207.db2.gz OWCLSMPNGSDYSF-LBPRGKRZSA-N 1 0 229.323 2.382 20 30 BEEDRO Cc1[nH+]ccc(NCC(C)(C)S)c1F ZINC001170307339 970718862 /nfs/dbraw/zinc/71/88/62/970718862.db2.gz VTOSIKVOLFFXOO-UHFFFAOYSA-N 1 0 214.309 2.071 20 30 BEEDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1C#N ZINC000305268259 970723701 /nfs/dbraw/zinc/72/37/01/970723701.db2.gz ZHEIZEBZXLUHGY-STQMWFEESA-N 1 0 244.338 2.151 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)OC(C)C ZINC001327588900 972655182 /nfs/dbraw/zinc/65/51/82/972655182.db2.gz ZRUFGVHQUGCRQG-TXEJJXNPSA-N 1 0 223.316 2.121 20 30 BEEDRO COCCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171174706 972800395 /nfs/dbraw/zinc/80/03/95/972800395.db2.gz BOOBKUMTCFOOHZ-GFCCVEGCSA-N 1 0 232.327 2.115 20 30 BEEDRO CCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171175057 972802317 /nfs/dbraw/zinc/80/23/17/972802317.db2.gz GYUULXLVVNHPLF-NSHDSACASA-N 1 0 202.301 2.489 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1CCCOC1 ZINC001171177772 972805010 /nfs/dbraw/zinc/80/50/10/972805010.db2.gz AHOGYVJKPZXDNY-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C1CCOCC1 ZINC001171176904 972805642 /nfs/dbraw/zinc/80/56/42/972805642.db2.gz XHEKFXYRYTXHGX-LBPRGKRZSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C1CCOCC1 ZINC001171176903 972806154 /nfs/dbraw/zinc/80/61/54/972806154.db2.gz XHEKFXYRYTXHGX-GFCCVEGCSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)n1nccc1C[NH3+] ZINC001171177020 972807173 /nfs/dbraw/zinc/80/71/73/972807173.db2.gz ZVDACIDCMBGAKD-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCS ZINC001171179389 972815037 /nfs/dbraw/zinc/81/50/37/972815037.db2.gz RVVMCTKNXOGTCE-SNVBAGLBSA-N 1 0 220.341 2.009 20 30 BEEDRO Cc1cc(CC#N)ccc1NCC(C)(C)[NH3+] ZINC001171193224 972844803 /nfs/dbraw/zinc/84/48/03/972844803.db2.gz SPADFHQDHWZSSC-UHFFFAOYSA-N 1 0 217.316 2.210 20 30 BEEDRO CC(C)([NH3+])CNc1cccc2[nH]cc(CC#N)c21 ZINC001171193193 972845722 /nfs/dbraw/zinc/84/57/22/972845722.db2.gz QXXBHTJDXSINMZ-UHFFFAOYSA-N 1 0 242.326 2.383 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC([C@H](C)OC)C2)cc1 ZINC001144578922 972871903 /nfs/dbraw/zinc/87/19/03/972871903.db2.gz SZEAGQWGDBLPRC-LBPRGKRZSA-N 1 0 229.323 2.135 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)cc1 ZINC001144567795 972872678 /nfs/dbraw/zinc/87/26/78/972872678.db2.gz CFGFIWCPFWPANH-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(CN(C)CC[NH+](CC)CC)cc1 ZINC001144567495 972873740 /nfs/dbraw/zinc/87/37/40/972873740.db2.gz NYOFJGIMBUCWQM-UHFFFAOYSA-N 1 0 244.382 2.442 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCCC(=O)[C@@H](C)C2)cc1 ZINC001144568249 972874400 /nfs/dbraw/zinc/87/44/00/972874400.db2.gz OIPYQDIXIJWZRP-ZDUSSCGKSA-N 1 0 241.334 2.469 20 30 BEEDRO CC(=O)C[N@@H+](C)[C@H](C)Cc1cccc(C#N)c1 ZINC001171211360 972943796 /nfs/dbraw/zinc/94/37/96/972943796.db2.gz YXYDWHQAADHHIT-LLVKDONJSA-N 1 0 230.311 2.010 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[N@@H+]1CCO[C@H](C)C1 ZINC001171210349 972949282 /nfs/dbraw/zinc/94/92/82/972949282.db2.gz SRWWQVLHUYZXLK-CHWSQXEVSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001171210209 972952838 /nfs/dbraw/zinc/95/28/38/972952838.db2.gz QKQVCSQULFNNKX-TUKIKUTGSA-N 1 0 226.323 2.441 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001246589638 972992394 /nfs/dbraw/zinc/99/23/94/972992394.db2.gz SYAFKILCHHESGQ-SRVKXCTJSA-N 1 0 214.328 2.102 20 30 BEEDRO CCCC[C@H](CC(C)C)[N@@H+]1CCN[C@H](C#N)C1 ZINC001246833683 973130351 /nfs/dbraw/zinc/13/03/51/973130351.db2.gz GCIYFJUHJPZPEV-ZIAGYGMSSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(CC)CCCC1 ZINC001146256410 973130627 /nfs/dbraw/zinc/13/06/27/973130627.db2.gz UNDJLDHKRWPQDU-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C[C@H](C[NH+](C)C)O[C@H](C#N)c1ccccc1 ZINC001223709041 973230493 /nfs/dbraw/zinc/23/04/93/973230493.db2.gz IKRFGHRBJHVUGR-DGCLKSJQSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171290771 973314904 /nfs/dbraw/zinc/31/49/04/973314904.db2.gz BAZMQJQAUVGXAJ-JTQLQIEISA-N 1 0 249.741 2.429 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H](CC(C)C)OC)C1 ZINC001328746271 973327263 /nfs/dbraw/zinc/32/72/63/973327263.db2.gz LULQFSMOPFQXFC-UONOGXRCSA-N 1 0 241.375 2.324 20 30 BEEDRO C#CCOCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001328833284 973368418 /nfs/dbraw/zinc/36/84/18/973368418.db2.gz CGKVVMOUMUQAPD-UHFFFAOYSA-N 1 0 209.333 2.004 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](CC)CC(C)C ZINC001147038259 973380973 /nfs/dbraw/zinc/38/09/73/973380973.db2.gz LNCRGVZDOTUIOU-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C[C@H]3C[C@@H](O)C3)C[C@H](C1)C2 ZINC000720893673 973384044 /nfs/dbraw/zinc/38/40/44/973384044.db2.gz OUSLFNYNTGUIFL-BLOWRENCSA-N 1 0 235.371 2.482 20 30 BEEDRO C=CCCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CCC1 ZINC001328967473 973403686 /nfs/dbraw/zinc/40/36/86/973403686.db2.gz DQYZDQHWGIMAOS-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C(C)(C)CC(C)C ZINC001147080326 973417935 /nfs/dbraw/zinc/41/79/35/973417935.db2.gz FLWRADFQMXBJMG-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCC ZINC001328987220 973419264 /nfs/dbraw/zinc/41/92/64/973419264.db2.gz HSHOQQCCEVFQKS-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C#CC(C#C)O[C@H](CC[NH+](C)C)c1ccccc1 ZINC001224136918 973461624 /nfs/dbraw/zinc/46/16/24/973461624.db2.gz OSEMBUOIXSQUKQ-MRXNPFEDSA-N 1 0 241.334 2.331 20 30 BEEDRO COc1cc(C#N)ccc1CO[C@H](C)C[NH+](C)C ZINC001224188603 973478820 /nfs/dbraw/zinc/47/88/20/973478820.db2.gz HDUBKZLXDOUGQE-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCCCC ZINC001329187637 973547563 /nfs/dbraw/zinc/54/75/63/973547563.db2.gz XORCLQSVEMHKOO-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCCO[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001224339232 973570584 /nfs/dbraw/zinc/57/05/84/973570584.db2.gz HDWIMGBOKQRITH-CLLJXQQHSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)CCC ZINC001329400332 973739884 /nfs/dbraw/zinc/73/98/84/973739884.db2.gz ZNXHUMPUHFNEDP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C[C@@H](C)CC ZINC001147860970 973780490 /nfs/dbraw/zinc/78/04/90/973780490.db2.gz MRVBARWVBBQGDQ-CMPLNLGQSA-N 1 0 226.364 2.045 20 30 BEEDRO N#CC1CCC(N2CC[C@@H]3[NH2+]CCC[C@@H]3C2)CC1 ZINC001247014511 973796756 /nfs/dbraw/zinc/79/67/56/973796756.db2.gz KOEDXWNMEMKBOD-JYVUQVBGSA-N 1 0 247.386 2.143 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](OCC#C[Si](C)(C)C)C1 ZINC001224617270 973799499 /nfs/dbraw/zinc/79/94/99/973799499.db2.gz IEYXBWFLRHNHBV-CYBMUJFWSA-N 1 0 239.435 2.368 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC001329521896 973809825 /nfs/dbraw/zinc/80/98/25/973809825.db2.gz LVFSZPMHCNNEAD-PSASIEDQSA-N 1 0 219.275 2.211 20 30 BEEDRO N#Cc1ccc(F)c(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171328931 973824625 /nfs/dbraw/zinc/82/46/25/973824625.db2.gz DBTVUAHHBUPKFW-LLVKDONJSA-N 1 0 233.290 2.251 20 30 BEEDRO CC#C[C@H](CC)OC[C@@H]1CCCC[N@@H+]1C ZINC001224705199 973871066 /nfs/dbraw/zinc/87/10/66/973871066.db2.gz DOESADWJLZYGLO-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@H](OC[C@@H]1CCCC[N@H+]1C)c1ccncc1 ZINC001224706482 973874135 /nfs/dbraw/zinc/87/41/35/973874135.db2.gz KRPLHPMZCVYHLR-GJZGRUSLSA-N 1 0 244.338 2.257 20 30 BEEDRO N#CCc1cc(F)cc(NC[C@H]2CCCC[NH2+]2)c1 ZINC001171337890 973888859 /nfs/dbraw/zinc/88/88/59/973888859.db2.gz BWIRHDINGXPVFQ-CYBMUJFWSA-N 1 0 247.317 2.446 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171337992 973889813 /nfs/dbraw/zinc/88/98/13/973889813.db2.gz UMWAHQPZWUGKMR-LLVKDONJSA-N 1 0 221.250 2.045 20 30 BEEDRO C=C(COC1CN(CC)C1)c1ccccc1 ZINC001224733967 973896675 /nfs/dbraw/zinc/89/66/75/973896675.db2.gz HZPJQIYUUFZSQZ-UHFFFAOYSA-N 1 0 217.312 2.421 20 30 BEEDRO CCC#C[C@H](C)OCCC[NH+]1CCCC1 ZINC001224743784 973905782 /nfs/dbraw/zinc/90/57/82/973905782.db2.gz FUVVFZNVDQHOPO-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)c2ccc(C)o2)CC1 ZINC001276996729 973955230 /nfs/dbraw/zinc/95/52/30/973955230.db2.gz CZHOZIZYXOWHJR-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)C1CCC1 ZINC001329876310 973985953 /nfs/dbraw/zinc/98/59/53/973985953.db2.gz PQUITXBAKTZWNY-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO CC#CC[C@@H](CC)OC[C@@H]1CCC[N@@H+]1C ZINC001224816993 973990018 /nfs/dbraw/zinc/99/00/18/973990018.db2.gz FJPWRTOPQTYUPB-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H](CC(C)C)OC[C@@H]1CCC[N@@H+]1C ZINC001224816818 973992810 /nfs/dbraw/zinc/99/28/10/973992810.db2.gz AUQMOANGAYKVRC-STQMWFEESA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@@H](OC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001224817717 973998392 /nfs/dbraw/zinc/99/83/92/973998392.db2.gz YBPKIKPDTHFACO-LSDHHAIUSA-N 1 0 229.323 2.472 20 30 BEEDRO N#CC1CC(OCCC[NH+]2CCCCC2)C1 ZINC001224858173 974032235 /nfs/dbraw/zinc/03/22/35/974032235.db2.gz AJCBBWXWQJKYDE-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)C(CC)CC)C1 ZINC001329968504 974062582 /nfs/dbraw/zinc/06/25/82/974062582.db2.gz HAGWEGQQPACYNT-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cccc(Cl)c1F ZINC001330028493 974077127 /nfs/dbraw/zinc/07/71/27/974077127.db2.gz VHWKPNJZTQDERM-UHFFFAOYSA-N 1 0 241.697 2.279 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463355 974077445 /nfs/dbraw/zinc/07/74/45/974077445.db2.gz QXBDYKLFBZYKPT-BXKDBHETSA-N 1 0 235.277 2.433 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c2C1 ZINC001171505318 974089367 /nfs/dbraw/zinc/08/93/67/974089367.db2.gz DDTIRMAEBUHYTH-SECBINFHSA-N 1 0 239.240 2.184 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1c(C)cnn1COC ZINC001330087643 974102021 /nfs/dbraw/zinc/10/20/21/974102021.db2.gz QDJZSIWLKRVNTA-GFCCVEGCSA-N 1 0 237.347 2.240 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](Cc2cccc3c[nH]nc32)C1 ZINC001330109313 974111258 /nfs/dbraw/zinc/11/12/58/974111258.db2.gz VBXUIADUVFFCFC-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO CN(CC#N)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639964 974133207 /nfs/dbraw/zinc/13/32/07/974133207.db2.gz XCVKOFNWDARGAI-UHFFFAOYSA-N 1 0 223.364 2.093 20 30 BEEDRO C#CCN(C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639980 974133305 /nfs/dbraw/zinc/13/33/05/974133305.db2.gz XLOCZCUFIVWBLB-UHFFFAOYSA-N 1 0 222.376 2.203 20 30 BEEDRO C[C@@H]1C[C@H](N(C)CC#N)C[N@@H+]1Cc1ccccc1 ZINC001171761903 974146069 /nfs/dbraw/zinc/14/60/69/974146069.db2.gz GXXCJFUCGDHJDF-HIFRSBDPSA-N 1 0 243.354 2.105 20 30 BEEDRO N#CC1(C[NH2+][C@H]2Cc3cccc(F)c3C2)CC1 ZINC001171780799 974172866 /nfs/dbraw/zinc/17/28/66/974172866.db2.gz QUTTXFONZQZCPK-NSHDSACASA-N 1 0 230.286 2.186 20 30 BEEDRO Fc1cccc2c1C[C@@H]([NH2+]CCCS)C2 ZINC001171783435 974174773 /nfs/dbraw/zinc/17/47/73/974174773.db2.gz QXXKNXKZIFCTJJ-JTQLQIEISA-N 1 0 225.332 2.202 20 30 BEEDRO C#CC1([NH2+]C2CCC(C)(C(=O)OCC)CC2)CC1 ZINC001171941102 974222481 /nfs/dbraw/zinc/22/24/81/974222481.db2.gz KXGWGPLFGQREEA-UHFFFAOYSA-N 1 0 249.354 2.254 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2conc2CC)C1 ZINC001330433753 974262691 /nfs/dbraw/zinc/26/26/91/974262691.db2.gz WZVYHPDKQBHNAB-GFCCVEGCSA-N 1 0 236.315 2.014 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C#N)cc1 ZINC001225247166 974305810 /nfs/dbraw/zinc/30/58/10/974305810.db2.gz HOZZYRFHWCOVMJ-NSHDSACASA-N 1 0 219.308 2.032 20 30 BEEDRO N#CCc1ccc(O[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC001225264561 974326178 /nfs/dbraw/zinc/32/61/78/974326178.db2.gz JHPKOZPLQYSVPH-OAHLLOKOSA-N 1 0 242.322 2.226 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1C[C@H]2CCC[C@@H](C1)N2C ZINC001172126660 974350390 /nfs/dbraw/zinc/35/03/90/974350390.db2.gz XUJDUUKJIGZFPM-ITGUQSILSA-N 1 0 208.349 2.120 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCC[C@H]1N(C)C ZINC001330608007 974354885 /nfs/dbraw/zinc/35/48/85/974354885.db2.gz LLFFPMQRBSDESM-HZSPNIEDSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(C2CC2)CCOCC1 ZINC001330617255 974363669 /nfs/dbraw/zinc/36/36/69/974363669.db2.gz ASFPGWCNJMMTPJ-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104704 974364420 /nfs/dbraw/zinc/36/44/20/974364420.db2.gz CKLLSMIYDRCWTN-SYQHCUMBSA-N 1 0 235.375 2.284 20 30 BEEDRO CC[C@](C)(C#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172110811 974375483 /nfs/dbraw/zinc/37/54/83/974375483.db2.gz PKOBZFAVCAZRKO-YIYPIFLZSA-N 1 0 235.375 2.284 20 30 BEEDRO C[C@@H](CCNc1c(C#N)cccc1C#N)[NH+](C)C ZINC001330686264 974417384 /nfs/dbraw/zinc/41/73/84/974417384.db2.gz WZHLYWVFGVQUNX-NSHDSACASA-N 1 0 242.326 2.182 20 30 BEEDRO C=CCC[NH2+]CCC[C@@H](C)NC(=O)C(C)(F)F ZINC001330724034 974441109 /nfs/dbraw/zinc/44/11/09/974441109.db2.gz FMDJHDOBKDFNCB-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC001172217917 974445048 /nfs/dbraw/zinc/44/50/48/974445048.db2.gz RPWXFYUAWHELMG-GOOCMWNKSA-N 1 0 242.322 2.358 20 30 BEEDRO N#CCC1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172229516 974466990 /nfs/dbraw/zinc/46/69/90/974466990.db2.gz PMPQCQWKFUHFDB-AGUYFDCRSA-N 1 0 234.343 2.322 20 30 BEEDRO C[NH+](C)[C@H]1CC[C@H](Oc2ncccc2C#N)CC1 ZINC001225408799 974470260 /nfs/dbraw/zinc/47/02/60/974470260.db2.gz ZXBWVTNBEQFVGS-JOCQHMNTSA-N 1 0 245.326 2.205 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)C1 ZINC001172230940 974471601 /nfs/dbraw/zinc/47/16/01/974471601.db2.gz IKPRXRZSDPHURU-RLAWYHOSSA-N 1 0 219.328 2.042 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234311 974475620 /nfs/dbraw/zinc/47/56/20/974475620.db2.gz IYFQNNVGQCCVRV-MQVJKMGUSA-N 1 0 239.318 2.114 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CSc2ccccc2C1 ZINC001172197667 974482533 /nfs/dbraw/zinc/48/25/33/974482533.db2.gz PLKNGMCKOXAMPN-ZYHUDNBSSA-N 1 0 217.337 2.315 20 30 BEEDRO Cc1ccc(O[C@H](CC#N)C[N+](C)(C)C)c(C)n1 ZINC001225426500 974482871 /nfs/dbraw/zinc/48/28/71/974482871.db2.gz CGZJRQZYMFLGDZ-CYBMUJFWSA-N 1 0 248.350 2.066 20 30 BEEDRO C#CC1([NH2+][C@@H]2CSc3ccccc3C2)CC1 ZINC001172196849 974483011 /nfs/dbraw/zinc/48/30/11/974483011.db2.gz LWMBJUALPPMOHZ-LBPRGKRZSA-N 1 0 229.348 2.459 20 30 BEEDRO C#CCC[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172198171 974483373 /nfs/dbraw/zinc/48/33/73/974483373.db2.gz RWTMOYQFQZCMCD-LBPRGKRZSA-N 1 0 217.337 2.316 20 30 BEEDRO CC1(C)C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CO1 ZINC001172272235 974489777 /nfs/dbraw/zinc/48/97/77/974489777.db2.gz WRLUOHPBPJPBIU-GRYCIOLGSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCCO1 ZINC001330829603 974491592 /nfs/dbraw/zinc/49/15/92/974491592.db2.gz AEBRNFVXXLLUKS-KBPBESRZSA-N 1 0 249.358 2.056 20 30 BEEDRO C[C@H](C[NH3+])C[N@H+](C)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172300780 974513294 /nfs/dbraw/zinc/51/32/94/974513294.db2.gz ZGYQYIQEWIORBM-CHWSQXEVSA-N 1 0 245.370 2.016 20 30 BEEDRO CC[N@H+](CCOC)[C@H](C)Cc1ccc(C#N)cc1 ZINC001172308433 974516876 /nfs/dbraw/zinc/51/68/76/974516876.db2.gz KHZJHYDGKONDDM-CYBMUJFWSA-N 1 0 246.354 2.458 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@]1(C)CCOC1 ZINC001172306084 974518130 /nfs/dbraw/zinc/51/81/30/974518130.db2.gz WJLNZKOFTZZKFO-WFASDCNBSA-N 1 0 244.338 2.258 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(C#N)cc2)C1 ZINC001172302804 974518189 /nfs/dbraw/zinc/51/81/89/974518189.db2.gz QZRXMNWEFOGNPS-KCPJHIHWSA-N 1 0 244.338 2.256 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC001330899546 974528052 /nfs/dbraw/zinc/52/80/52/974528052.db2.gz CQSQWLQUFUXJEP-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]C2(CC#N)CCCC2)CO1 ZINC001172281079 974538912 /nfs/dbraw/zinc/53/89/12/974538912.db2.gz XYYFUASXCAGSDG-LLVKDONJSA-N 1 0 222.332 2.370 20 30 BEEDRO C#C[C@@H](Oc1ccc(CC(=[NH2+])NO)cc1)C(C)C ZINC001225551223 974552567 /nfs/dbraw/zinc/55/25/67/974552567.db2.gz VKVNIYJIUAQDBO-CYBMUJFWSA-N 1 0 246.310 2.222 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)/C=C\C1CC1 ZINC001225560568 974553558 /nfs/dbraw/zinc/55/35/58/974553558.db2.gz QXWAKTOUFZUDQS-YWOVDUEISA-N 1 0 248.370 2.156 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CC1 ZINC001172291007 974558153 /nfs/dbraw/zinc/55/81/53/974558153.db2.gz HGESEHQNDOBRMB-SNVBAGLBSA-N 1 0 200.285 2.241 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+][C@@H]1CCO[C@@H]1C ZINC001172292560 974560621 /nfs/dbraw/zinc/56/06/21/974560621.db2.gz PSOZESVIZLHRRG-LALPHHSUSA-N 1 0 244.338 2.256 20 30 BEEDRO CCC1([NH2+][C@H](C)Cc2ccc(C#N)cc2)COC1 ZINC001172296535 974565802 /nfs/dbraw/zinc/56/58/02/974565802.db2.gz AOBDSGMWWYFIQM-GFCCVEGCSA-N 1 0 244.338 2.258 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001172380409 974591409 /nfs/dbraw/zinc/59/14/09/974591409.db2.gz SIOAWDZCPCJKEF-QLFBSQMISA-N 1 0 234.387 2.062 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]C(CO)CO ZINC001172346587 974613784 /nfs/dbraw/zinc/61/37/84/974613784.db2.gz KAOHWBVWJJUXOL-LBPRGKRZSA-N 1 0 231.380 2.068 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+][C@@H]1COC[C@H]1N ZINC001172346612 974615759 /nfs/dbraw/zinc/61/57/59/974615759.db2.gz KGIJCPDZMXXADD-MGPQQGTHSA-N 1 0 242.407 2.441 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[N@@H+]1CC[C@H](C#N)C1 ZINC001172353905 974624063 /nfs/dbraw/zinc/62/40/63/974624063.db2.gz PGXUSDGNDDDFHV-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]CC(N)=O ZINC001172356895 974624101 /nfs/dbraw/zinc/62/41/01/974624101.db2.gz DCCCGNRXIYWRBG-NSHDSACASA-N 1 0 214.353 2.200 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cc(C#N)ccc2OC)C1 ZINC001225683631 974644427 /nfs/dbraw/zinc/64/44/27/974644427.db2.gz GQHMUBIOEKQDQD-LBPRGKRZSA-N 1 0 246.310 2.040 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2cc(Cl)cc(C#N)c2)C1 ZINC001225696992 974648622 /nfs/dbraw/zinc/64/86/22/974648622.db2.gz BYOQTBHCQLSUCR-NSHDSACASA-N 1 0 236.702 2.295 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC001331255545 974661037 /nfs/dbraw/zinc/66/10/37/974661037.db2.gz VPBLLBUHNHOYCH-UPJWGTAASA-N 1 0 227.348 2.125 20 30 BEEDRO C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C)CC ZINC001331259447 974663380 /nfs/dbraw/zinc/66/33/80/974663380.db2.gz RIYJLVCFKJGHDE-WCQYABFASA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@@H](CC(C)C)[NH+]1CCN(CCC#N)CC1 ZINC001172408541 974667938 /nfs/dbraw/zinc/66/79/38/974667938.db2.gz WARYIWRMDXXDOI-AWEZNQCLSA-N 1 0 237.391 2.342 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]Cc1cc(C#N)co1 ZINC001172415897 974685030 /nfs/dbraw/zinc/68/50/30/974685030.db2.gz APDGAHPFUFLDSR-SNVBAGLBSA-N 1 0 222.288 2.056 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2ccc(F)c(C#N)c2)C1 ZINC001225821122 974696027 /nfs/dbraw/zinc/69/60/27/974696027.db2.gz XGYKKGAGIMUUDE-GFCCVEGCSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)/C(C)=C/C ZINC001331421658 974710715 /nfs/dbraw/zinc/71/07/15/974710715.db2.gz LGFMPVIZYLALPB-OALRPVAKSA-N 1 0 244.766 2.142 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)CCCC1CC1 ZINC001331528883 974750375 /nfs/dbraw/zinc/75/03/75/974750375.db2.gz GRXZIGMRGZBKCU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCc1ccc(C)cc1 ZINC001331580601 974767700 /nfs/dbraw/zinc/76/77/00/974767700.db2.gz DFRVTINXAJUSMZ-HOCLYGCPSA-N 1 0 245.366 2.290 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCC1CCOCC1 ZINC001172476359 974772806 /nfs/dbraw/zinc/77/28/06/974772806.db2.gz KEVWJABPLZXQNB-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO COc1cccc(CC[NH2+][C@H](C)CCCC#N)n1 ZINC001172476471 974772934 /nfs/dbraw/zinc/77/29/34/974772934.db2.gz LQMURXANASVRMG-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCC1CCOCC1 ZINC001172476358 974773513 /nfs/dbraw/zinc/77/35/13/974773513.db2.gz KEVWJABPLZXQNB-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cccnc1 ZINC001172477001 974775637 /nfs/dbraw/zinc/77/56/37/974775637.db2.gz SWZPPFCEUHTCBX-NSHDSACASA-N 1 0 203.289 2.254 20 30 BEEDRO COc1ccnc(C[NH2+][C@@H](C)CCCC#N)c1 ZINC001172479096 974776041 /nfs/dbraw/zinc/77/60/41/974776041.db2.gz JCFUOSUEIGKCTQ-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H]1CCCC(=O)C1 ZINC001172482838 974784774 /nfs/dbraw/zinc/78/47/74/974784774.db2.gz AKIOMPMZVFVEHY-GHMZBOCLSA-N 1 0 208.305 2.170 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)CCCC#N ZINC001172478887 974777136 /nfs/dbraw/zinc/77/71/36/974777136.db2.gz FLHRTBMWHXHRKU-SNVBAGLBSA-N 1 0 234.347 2.209 20 30 BEEDRO CCn1ccc(C[NH2+][C@H](C)CCCC#N)n1 ZINC001172480388 974780376 /nfs/dbraw/zinc/78/03/76/974780376.db2.gz TURDFZKPVXGQKY-LLVKDONJSA-N 1 0 220.320 2.075 20 30 BEEDRO CCOC(=O)C1(C[NH2+][C@@H](C)CCCC#N)CC1 ZINC001172480943 974781202 /nfs/dbraw/zinc/78/12/02/974781202.db2.gz YDADSFNJRDNDJD-NSHDSACASA-N 1 0 238.331 2.002 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H]1CCCOC1 ZINC001172481690 974781276 /nfs/dbraw/zinc/78/12/76/974781276.db2.gz WTFXMKNKESHKJT-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO CCCCN(C)CC[NH2+][C@H](C)CCCC#N ZINC001172481525 974781467 /nfs/dbraw/zinc/78/14/67/974781467.db2.gz VTQMWHXNYCZNIH-CYBMUJFWSA-N 1 0 225.380 2.390 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC(C)(C)c1cnccn1 ZINC001172480555 974781703 /nfs/dbraw/zinc/78/17/03/974781703.db2.gz VIDAIGWJCOVRCQ-LBPRGKRZSA-N 1 0 246.358 2.426 20 30 BEEDRO Cc1cc(C)c(C#N)c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001226088167 974782865 /nfs/dbraw/zinc/78/28/65/974782865.db2.gz MLNJXGDAOUQBRI-GFCCVEGCSA-N 1 0 248.350 2.044 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1nccnc1Cl ZINC001172482071 974783172 /nfs/dbraw/zinc/78/31/72/974783172.db2.gz ZWIXHGFKGFDUFM-VIFPVBQESA-N 1 0 238.722 2.302 20 30 BEEDRO CCCOCCC[NH2+][C@@H](C)CCCC#N ZINC001172481954 974783251 /nfs/dbraw/zinc/78/32/51/974783251.db2.gz AMPUVQGCYQEQQW-LBPRGKRZSA-N 1 0 212.337 2.475 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1(F)CCOCC1 ZINC001172482853 974783446 /nfs/dbraw/zinc/78/34/46/974783446.db2.gz KPIWWHFQUHIJQO-LLVKDONJSA-N 1 0 228.311 2.177 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cc(F)ccn1 ZINC001172482906 974783608 /nfs/dbraw/zinc/78/36/08/974783608.db2.gz AWBMGWWPLNIDPY-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@@H](O)c1ccc(O)cc1 ZINC001172482960 974784465 /nfs/dbraw/zinc/78/44/65/974784465.db2.gz LXVZAKRSKHZRJU-SMDDNHRTSA-N 1 0 248.326 2.098 20 30 BEEDRO CCC1(C[NH2+][C@H](C)CCCC#N)COC1 ZINC001172482616 974784638 /nfs/dbraw/zinc/78/46/38/974784638.db2.gz IFUJWGOMIQOQSA-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCC(=O)OC(C)(C)C ZINC001172481969 974784721 /nfs/dbraw/zinc/78/47/21/974784721.db2.gz ZMFJZKGMJDBFSJ-LLVKDONJSA-N 1 0 240.347 2.390 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CC(C)(C)O1 ZINC001172483986 974785507 /nfs/dbraw/zinc/78/55/07/974785507.db2.gz WTKCGZLYHDFILD-GHMZBOCLSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1NC(=O)c2ccccc21 ZINC001172485100 974788022 /nfs/dbraw/zinc/78/80/22/974788022.db2.gz LWJWHKXETCZIHR-GXFFZTMASA-N 1 0 243.310 2.101 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1ncc(F)cn1 ZINC001172485859 974789176 /nfs/dbraw/zinc/78/91/76/974789176.db2.gz URGNMTUZRYXPHV-NXEZZACHSA-N 1 0 236.294 2.349 20 30 BEEDRO CCC[C@@H](CCO)[NH2+][C@@H](C)CCCC#N ZINC001172486284 974790670 /nfs/dbraw/zinc/79/06/70/974790670.db2.gz ARVMWIQAKNTQMN-RYUDHWBXSA-N 1 0 212.337 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC1(c2cnccn2)CC1 ZINC001172486744 974790738 /nfs/dbraw/zinc/79/07/38/974790738.db2.gz GZJWVHJKYJAXAQ-LBPRGKRZSA-N 1 0 244.342 2.180 20 30 BEEDRO CC(C)OCC[C@H](C)[NH+]1CC(CC#N)C1 ZINC001172438911 974796291 /nfs/dbraw/zinc/79/62/91/974796291.db2.gz ARYWMLRIOLEAJD-NSHDSACASA-N 1 0 210.321 2.035 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC001172441090 974800395 /nfs/dbraw/zinc/80/03/95/974800395.db2.gz MCWCZEFWLIWZRT-GFCCVEGCSA-N 1 0 247.342 2.246 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2csnn2)C1 ZINC001331741102 974810412 /nfs/dbraw/zinc/81/04/12/974810412.db2.gz HQFZGJUWCHBVCK-VHSXEESVSA-N 1 0 223.345 2.373 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCc1cncs1 ZINC001172488896 974832330 /nfs/dbraw/zinc/83/23/30/974832330.db2.gz NJWQEHSGGPKBSW-JTQLQIEISA-N 1 0 223.345 2.358 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1(c2ncccn2)CC1 ZINC001172488868 974832802 /nfs/dbraw/zinc/83/28/02/974832802.db2.gz XBFWNMCROPZWSC-LLVKDONJSA-N 1 0 230.315 2.138 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C1CCN(CCF)CC1 ZINC001172488628 974833074 /nfs/dbraw/zinc/83/30/74/974833074.db2.gz MGTWPPLSVSUJQF-GFCCVEGCSA-N 1 0 241.354 2.092 20 30 BEEDRO COC[C@H]([NH2+][C@H](C)CCCC#N)C1CC1 ZINC001172487844 974833805 /nfs/dbraw/zinc/83/38/05/974833805.db2.gz NOAWESBDZFVGLU-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C12CCC(O)(CC1)CC2 ZINC001172488730 974833919 /nfs/dbraw/zinc/83/39/19/974833919.db2.gz MVTOLETWJIQUQI-IYXRBSQSSA-N 1 0 236.359 2.496 20 30 BEEDRO C[C@H](CCCC#N)n1nnc2ccc(C[NH3+])cc21 ZINC001172489800 974834593 /nfs/dbraw/zinc/83/45/93/974834593.db2.gz QJDDGADVJVSQPN-SNVBAGLBSA-N 1 0 243.314 2.145 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC(=O)Nc1ccccc1 ZINC001172489832 974834623 /nfs/dbraw/zinc/83/46/23/974834623.db2.gz RJXJAZNGBRSGOG-LBPRGKRZSA-N 1 0 245.326 2.297 20 30 BEEDRO C[C@H](CCCC#N)Nc1ccc(C[NH3+])nc1 ZINC001172489554 974834915 /nfs/dbraw/zinc/83/49/15/974834915.db2.gz VBOGGSGCVCTJSA-SNVBAGLBSA-N 1 0 218.304 2.035 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cncc(Cl)n1 ZINC001172489233 974835115 /nfs/dbraw/zinc/83/51/15/974835115.db2.gz PHVKOIGMWSJJGN-VIFPVBQESA-N 1 0 238.722 2.302 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccc(O)c(O)c1 ZINC001172489802 974835364 /nfs/dbraw/zinc/83/53/64/974835364.db2.gz QJKWTWMMRVMQPP-SNVBAGLBSA-N 1 0 234.299 2.270 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ccnn1CCF ZINC001172490877 974836751 /nfs/dbraw/zinc/83/67/51/974836751.db2.gz BPSFCBHHYNEEOK-LLVKDONJSA-N 1 0 238.310 2.025 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccnn1CCF ZINC001172490880 974836867 /nfs/dbraw/zinc/83/68/67/974836867.db2.gz BPSFCBHHYNEEOK-NSHDSACASA-N 1 0 238.310 2.025 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1CC[C@H](O)CC1 ZINC001172490802 974837115 /nfs/dbraw/zinc/83/71/15/974837115.db2.gz APAQITCDTXHYLK-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@H]1COc2cnccc21 ZINC001172492818 974839811 /nfs/dbraw/zinc/83/98/11/974839811.db2.gz OSLXFJDHKXFMEF-RYUDHWBXSA-N 1 0 245.326 2.230 20 30 BEEDRO CCOC(=O)CC1([NH2+][C@@H](C)CCCC#N)CC1 ZINC001172492102 974839820 /nfs/dbraw/zinc/83/98/20/974839820.db2.gz QFIQPGPJJLABBI-NSHDSACASA-N 1 0 238.331 2.144 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@](O)(CF)C1 ZINC001172493510 974840393 /nfs/dbraw/zinc/84/03/93/974840393.db2.gz MNJDDRFMHUIOOA-STQMWFEESA-N 1 0 242.338 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)C1CCOCC1 ZINC001172492436 974840407 /nfs/dbraw/zinc/84/04/07/974840407.db2.gz LIXOQHDFHXFQAL-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001172495819 974843981 /nfs/dbraw/zinc/84/39/81/974843981.db2.gz ICIAUPUMCDMOHW-AVGNSLFASA-N 1 0 224.348 2.304 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001172494843 974845307 /nfs/dbraw/zinc/84/53/07/974845307.db2.gz YKRSYGDBKJCOMV-QWRGUYRKSA-N 1 0 226.295 2.072 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@](C)(O)C1 ZINC001172494700 974845829 /nfs/dbraw/zinc/84/58/29/974845829.db2.gz XKVJONZLXLFHQK-OLZOCXBDSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC2(COC2)C1 ZINC001172495049 974846151 /nfs/dbraw/zinc/84/61/51/974846151.db2.gz BAMMJWPRGQNCIS-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@](F)(CO)CC1 ZINC001172494404 974846232 /nfs/dbraw/zinc/84/62/32/974846232.db2.gz UBSPEDAQDGXOFX-STQMWFEESA-N 1 0 242.338 2.255 20 30 BEEDRO COC(=O)[C@H](C(C)C)[N@H+](C)[C@H](C)CCCC#N ZINC001172498479 974847119 /nfs/dbraw/zinc/84/71/19/974847119.db2.gz NOEBAEKTCRAJGC-NEPJUHHUSA-N 1 0 240.347 2.198 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@@H](C)CCCC#N)CCO1 ZINC001172497753 974847769 /nfs/dbraw/zinc/84/77/69/974847769.db2.gz FKVHQQOOCZTWFO-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCCC#N)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001172497178 974849009 /nfs/dbraw/zinc/84/90/09/974849009.db2.gz ZINJAOPETVELAW-UTUOFQBUSA-N 1 0 220.316 2.265 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1[C@@H](C)CCCC#N ZINC001172499233 974851227 /nfs/dbraw/zinc/85/12/27/974851227.db2.gz CAICJSQTTBWAOA-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001172500206 974853285 /nfs/dbraw/zinc/85/32/85/974853285.db2.gz KMNRMNYEMSBWSV-QWHCGFSZSA-N 1 0 222.332 2.324 20 30 BEEDRO CCCCCCC[C@@H](CCC)[NH2+]C(CO)CO ZINC001172501822 974854747 /nfs/dbraw/zinc/85/47/47/974854747.db2.gz KSRUGRCJWUOTRV-CYBMUJFWSA-N 1 0 245.407 2.458 20 30 BEEDRO CC(C)[C@H]1COCC[N@@H+]1[C@H](C)CCCC#N ZINC001172502317 974855084 /nfs/dbraw/zinc/85/50/84/974855084.db2.gz UJSDFKAYPRFCFM-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO CCN1CC[N@H+]([C@@H](C)CCCC#N)[C@H](C)C1 ZINC001172506605 974859855 /nfs/dbraw/zinc/85/98/55/974859855.db2.gz XKEAOUWTHVIROW-QWHCGFSZSA-N 1 0 223.364 2.095 20 30 BEEDRO CC(C)N1CC[N@@H+]([C@@H](C)CCCC#N)C[C@@H]1C ZINC001172504716 974860085 /nfs/dbraw/zinc/86/00/85/974860085.db2.gz IFFHQUBLSXNTNS-KBPBESRZSA-N 1 0 237.391 2.483 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC001172509360 974861567 /nfs/dbraw/zinc/86/15/67/974861567.db2.gz KJUVDSCNKYNQKL-SDDRHHMPSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@H]1CN(C)C ZINC001172507117 974863139 /nfs/dbraw/zinc/86/31/39/974863139.db2.gz PGTYXYOSWOSMCR-STQMWFEESA-N 1 0 223.364 2.095 20 30 BEEDRO CO[C@@H](C)C1C[NH+]([C@@H](C)CCCC#N)C1 ZINC001172509419 974863311 /nfs/dbraw/zinc/86/33/11/974863311.db2.gz LKTOADDLDNSCTN-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO COC(=O)[C@H]1CCC[C@H]([NH2+]CCCCC#N)C1 ZINC001172592051 974879427 /nfs/dbraw/zinc/87/94/27/974879427.db2.gz FPSNBAXLYSYVNV-RYUDHWBXSA-N 1 0 238.331 2.002 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC=CC2)C1 ZINC001331970397 974897822 /nfs/dbraw/zinc/89/78/22/974897822.db2.gz NHHIWTWFSSRATB-JSGCOSHPSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1Cc2ccc(Cl)cc2C1 ZINC001172722472 974903866 /nfs/dbraw/zinc/90/38/66/974903866.db2.gz WASMNCLWOTXNJZ-ZDUSSCGKSA-N 1 0 219.715 2.372 20 30 BEEDRO Cc1ccc2c(c1)C[C@@H]([NH2+]CCS)CC2 ZINC001172826074 974948793 /nfs/dbraw/zinc/94/87/93/974948793.db2.gz OHRBKZPTLKBHEK-ZDUSSCGKSA-N 1 0 221.369 2.372 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172796716 974953647 /nfs/dbraw/zinc/95/36/47/974953647.db2.gz OAQCHIFREMFMKS-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO COC(=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)CC#N)CC1 ZINC001172797170 974953673 /nfs/dbraw/zinc/95/36/73/974953673.db2.gz GYDUUULSPFDJFA-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC001172924950 974971853 /nfs/dbraw/zinc/97/18/53/974971853.db2.gz BNOAJUDNKBCPOK-GHMZBOCLSA-N 1 0 234.299 2.198 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)nc2)C1 ZINC001172926635 974972319 /nfs/dbraw/zinc/97/23/19/974972319.db2.gz CEBIELKIRLTMSX-OCCSQVGLSA-N 1 0 245.326 2.000 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCC[C@H](OC)C2)N=N1 ZINC001172936978 974989896 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ZINC001173600884 975480841 /nfs/dbraw/zinc/48/08/41/975480841.db2.gz LTYQLXQEYYGCGE-HSBZDZAISA-N 1 0 234.343 2.370 20 30 BEEDRO CCOC(=O)C[C@@H]1CC[C@H]([NH2+]CCCS)C1 ZINC001173635609 975496410 /nfs/dbraw/zinc/49/64/10/975496410.db2.gz IIOBJNHLQXAOHU-MNOVXSKESA-N 1 0 245.388 2.018 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173654428 975509819 /nfs/dbraw/zinc/50/98/19/975509819.db2.gz RXZFFOKYDYXHNV-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173717403 975524580 /nfs/dbraw/zinc/52/45/80/975524580.db2.gz PMZPZLLJKRCUKN-RYUDHWBXSA-N 1 0 245.322 2.016 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCC[C@@H](n2ncnn2)C1 ZINC001173766854 975555632 /nfs/dbraw/zinc/55/56/32/975555632.db2.gz XBDRAYNXBMYPHU-CHWSQXEVSA-N 1 0 249.362 2.055 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1(C)CC1(C)C ZINC001333221230 975575723 /nfs/dbraw/zinc/57/57/23/975575723.db2.gz SIICAQNRXFRBAV-CABZTGNLSA-N 1 0 244.766 2.009 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC(C)(C)C[NH3+] ZINC000721264578 975623224 /nfs/dbraw/zinc/62/32/24/975623224.db2.gz AUBHHNLRDHDWRW-UHFFFAOYSA-N 1 0 240.391 2.470 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C=CCCC2)n1 ZINC001333354135 975697460 /nfs/dbraw/zinc/69/74/60/975697460.db2.gz KDRVYLCPYCLWAR-LLVKDONJSA-N 1 0 213.284 2.152 20 30 BEEDRO COc1ccc(O[C@H]2CCC[N@H+](C)C2)c(C#N)c1 ZINC001228116973 975911588 /nfs/dbraw/zinc/91/15/88/975911588.db2.gz BTTZVJXFAFBZTQ-ZDUSSCGKSA-N 1 0 246.310 2.040 20 30 BEEDRO C#CC[NH2+]CCC[C@@H](C)NC(=O)C/C=C(\C)C=C ZINC001277271392 975922068 /nfs/dbraw/zinc/92/20/68/975922068.db2.gz HGSJZFZJZAZWKC-KADHNRKRSA-N 1 0 248.370 2.017 20 30 BEEDRO COc1ccc(Nc2cc[nH+]cc2)c(C#N)c1 ZINC001173882737 975943500 /nfs/dbraw/zinc/94/35/00/975943500.db2.gz QNCLUVOIMNYXBU-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO COc1cc(C#N)ccc1Nc1cc[nH+]cc1 ZINC001173883866 975958563 /nfs/dbraw/zinc/95/85/63/975958563.db2.gz XWOTUMCUNFAPPD-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO 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C=C[C@H]1CCCC[N@H+]1Cc1cnn(CCF)c1 ZINC001334230427 976391776 /nfs/dbraw/zinc/39/17/76/976391776.db2.gz ZBILULVATUVHNI-ZDUSSCGKSA-N 1 0 237.322 2.393 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc2c[nH]nc21 ZINC001334330864 976451666 /nfs/dbraw/zinc/45/16/66/976451666.db2.gz BNUGBPJUCYIMOS-UHFFFAOYSA-N 1 0 213.284 2.018 20 30 BEEDRO C#CC1([NH2+]CC2(OC)CCC2)CCCC1 ZINC001334402699 976496226 /nfs/dbraw/zinc/49/62/26/976496226.db2.gz PRSUUEPTJNDKFL-UHFFFAOYSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CC[C@@H](C)Oc1ccc2c(c1)CC[N@@H+](C)C2 ZINC001228944048 976596933 /nfs/dbraw/zinc/59/69/33/976596933.db2.gz KHSFZTSCPQQTTE-GFCCVEGCSA-N 1 0 229.323 2.465 20 30 BEEDRO C[N@@H+]1CCc2cc(OC3CC(C#N)C3)ccc2C1 ZINC001228943258 976598556 /nfs/dbraw/zinc/59/85/56/976598556.db2.gz DNVKFCJHYJCEKL-UHFFFAOYSA-N 1 0 242.322 2.355 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001480515549 1170007723 /nfs/dbraw/zinc/00/77/23/1170007723.db2.gz HQSTXBKBIWAXDZ-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO 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Cc1cc(-n2nc(N)c3c2cccc3C#N)cc[nH+]1 ZINC001174653956 976941900 /nfs/dbraw/zinc/94/19/00/976941900.db2.gz XDYQGJBJHXQFIO-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO COc1ccc(C#N)cc1Nc1cc[nH+]c(C)c1 ZINC001174656494 976947628 /nfs/dbraw/zinc/94/76/28/976947628.db2.gz ODJBYQZCADVKKX-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO Cc1cc(Nc2ccc(O)c(C#N)c2)cc[nH+]1 ZINC001174656260 976948763 /nfs/dbraw/zinc/94/87/63/976948763.db2.gz JGBQIPMKLDEJDD-UHFFFAOYSA-N 1 0 225.251 2.133 20 30 BEEDRO COc1cc(C#N)ccc1Nc1cc[nH+]c(C)c1 ZINC001174657588 976952625 /nfs/dbraw/zinc/95/26/25/976952625.db2.gz WGCURHGMWZHLBC-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C=CNc1sc2c(c1C#N)CC[N@@H+](C)C2 ZINC001174780226 976995149 /nfs/dbraw/zinc/99/51/49/976995149.db2.gz PJJAFCATPMVYBD-UHFFFAOYSA-N 1 0 219.313 2.163 20 30 BEEDRO C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1(C)CC1 ZINC001335365982 977002983 /nfs/dbraw/zinc/00/29/83/977002983.db2.gz FDGCGCLPQUPIGN-QWRGUYRKSA-N 1 0 205.305 2.208 20 30 BEEDRO CSC(C)(C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC001335398428 977028579 /nfs/dbraw/zinc/02/85/79/977028579.db2.gz PISUQQAROWPLPR-JTQLQIEISA-N 1 0 244.404 2.018 20 30 BEEDRO C=C(C)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001174788545 977031079 /nfs/dbraw/zinc/03/10/79/977031079.db2.gz LSSNVIOAAICILZ-UHFFFAOYSA-N 1 0 220.320 2.095 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)CCCF ZINC001174750778 977045953 /nfs/dbraw/zinc/04/59/53/977045953.db2.gz CCEGLSIEUZKVAZ-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO C#C[C@@H](CC)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC001335476974 977086747 /nfs/dbraw/zinc/08/67/47/977086747.db2.gz LHLWOAJATCYNQL-ZDUSSCGKSA-N 1 0 244.338 2.041 20 30 BEEDRO C[C@H](CC1CCC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001335487180 977096454 /nfs/dbraw/zinc/09/64/54/977096454.db2.gz VIPMJBRCDCIXQX-DGCLKSJQSA-N 1 0 236.359 2.209 20 30 BEEDRO Cc1cc(C[NH2+]Cc2ccc(C)c(C#N)c2)[nH]n1 ZINC001335507248 977104252 /nfs/dbraw/zinc/10/42/52/977104252.db2.gz USSZPCZCGNRZFT-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO C#C[C@@H](Oc1ccc2[nH]c(N)[nH+]c2c1)C(C)C ZINC001230515585 977226115 /nfs/dbraw/zinc/22/61/15/977226115.db2.gz CRMLJGGABGRUNP-GFCCVEGCSA-N 1 0 229.283 2.182 20 30 BEEDRO C#C[C@H]1CCC[C@H]1Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230516001 977228768 /nfs/dbraw/zinc/22/87/68/977228768.db2.gz NHLSKYYBTJOSCX-TVQRCGJNSA-N 1 0 241.294 2.326 20 30 BEEDRO CN1CCC[N@@H+](C2CCC(CC#N)CC2)CC1 ZINC000260274174 977368917 /nfs/dbraw/zinc/36/89/17/977368917.db2.gz YEDLUDOFOPGIFF-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C(\C)C1CC1 ZINC001230949012 977394873 /nfs/dbraw/zinc/39/48/73/977394873.db2.gz SJZZUUPADYPUAP-IEZBTEQYSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)CCC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC001335983802 977405460 /nfs/dbraw/zinc/40/54/60/977405460.db2.gz IZQRFZARKVZWIT-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)NC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC001355640517 1170020185 /nfs/dbraw/zinc/02/01/85/1170020185.db2.gz QCGZJSPPAANYEP-SNVBAGLBSA-N 1 0 232.327 2.401 20 30 BEEDRO C=CC(C)(C)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC001355640514 1170021075 /nfs/dbraw/zinc/02/10/75/1170021075.db2.gz QCGZJSPPAANYEP-JTQLQIEISA-N 1 0 232.327 2.401 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)CC(C)C ZINC001231327051 977570645 /nfs/dbraw/zinc/57/06/45/977570645.db2.gz XGJOXQHLAUTESS-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2ccccc2C#N)C1 ZINC001175576227 977579560 /nfs/dbraw/zinc/57/95/60/977579560.db2.gz GWDDSNOPMCCVPA-UHFFFAOYSA-N 1 0 213.284 2.190 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2cccc(CC#N)c2)C1 ZINC001175580229 977597124 /nfs/dbraw/zinc/59/71/24/977597124.db2.gz LIOLCCZBMKZQEU-UHFFFAOYSA-N 1 0 227.311 2.384 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cccnc23)C1 ZINC001231491517 977613750 /nfs/dbraw/zinc/61/37/50/977613750.db2.gz SFRAJWMMRCZTSH-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2c[nH]c3cnccc23)C1 ZINC001231522035 977630234 /nfs/dbraw/zinc/63/02/34/977630234.db2.gz RMXADGXHLJMDKO-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001231655675 977665686 /nfs/dbraw/zinc/66/56/86/977665686.db2.gz AZENLRDFLCTMJU-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCCC[C@H]2CO)c1 ZINC001231656020 977666557 /nfs/dbraw/zinc/66/65/57/977666557.db2.gz IMTDEQINLTXCDT-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c1 ZINC001231655548 977668125 /nfs/dbraw/zinc/66/81/25/977668125.db2.gz RCSHUUJUNUHGAD-GASCZTMLSA-N 1 0 239.318 2.364 20 30 BEEDRO C#Cc1cccc(C[N@@H+](C)C2CCN(C)CC2)c1 ZINC001231655301 977668162 /nfs/dbraw/zinc/66/81/62/977668162.db2.gz BMRISLXUGMEYBR-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(N2CCC([NH2+]C(C)C)CC2)nc1 ZINC001336505798 977732329 /nfs/dbraw/zinc/73/23/29/977732329.db2.gz KVQBIGCTVJWDBA-UHFFFAOYSA-N 1 0 243.354 2.030 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC001175810742 977768347 /nfs/dbraw/zinc/76/83/47/977768347.db2.gz JOMAGEVTRJDIBC-IPYPFGDCSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCCC[NH+]1CC(N(C)C(=O)/C(C)=C\C)C1 ZINC001277580717 977785091 /nfs/dbraw/zinc/78/50/91/977785091.db2.gz NPOHWILZWUQWSA-SDQBBNPISA-N 1 0 236.359 2.061 20 30 BEEDRO Cc1cc(C[NH+]2CCC(S)CC2)cnc1F ZINC001231926781 977800169 /nfs/dbraw/zinc/80/01/69/977800169.db2.gz FDLAERXNLAGDLU-UHFFFAOYSA-N 1 0 240.347 2.423 20 30 BEEDRO Cc1cc(Nc2ccc(C[NH3+])cc2)cnc1C#N ZINC001175966681 977834783 /nfs/dbraw/zinc/83/47/83/977834783.db2.gz UPPFHSJUXCNMBJ-UHFFFAOYSA-N 1 0 238.294 2.464 20 30 BEEDRO N#C[C@@H]1CCCN(Cc2cc3c[nH+]ccc3[nH]2)C1 ZINC001232015420 977846288 /nfs/dbraw/zinc/84/62/88/977846288.db2.gz HSZSSMJODMOZRK-NSHDSACASA-N 1 0 240.310 2.298 20 30 BEEDRO COc1cc(C#N)c(Nc2[nH]cc[nH+]2)cc1OC ZINC001176084009 977884677 /nfs/dbraw/zinc/88/46/77/977884677.db2.gz CQRGPEFJMQORRO-UHFFFAOYSA-N 1 0 244.254 2.042 20 30 BEEDRO C#CCOc1ccc(Nc2[nH]cc[nH+]2)cc1 ZINC001176085331 977886316 /nfs/dbraw/zinc/88/63/16/977886316.db2.gz LKDYAVBHXXYBPF-UHFFFAOYSA-N 1 0 213.240 2.165 20 30 BEEDRO Cc1cc(Nc2cccc(C#N)n2)cc(C)[nH+]1 ZINC001176055421 977905486 /nfs/dbraw/zinc/90/54/86/977905486.db2.gz YJNNWGBREYNWIN-UHFFFAOYSA-N 1 0 224.267 2.131 20 30 BEEDRO Cc1cc(Nc2ccc(N)cc2C#N)cc(C)[nH+]1 ZINC001176060187 977907442 /nfs/dbraw/zinc/90/74/42/977907442.db2.gz MMILNSCJRBBCHR-UHFFFAOYSA-N 1 0 238.294 2.318 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC(C)(C)C1(C)C ZINC001336769792 977940024 /nfs/dbraw/zinc/94/00/24/977940024.db2.gz DHCSQPXNTQHQIU-JTQLQIEISA-N 1 0 225.332 2.225 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)nc1C ZINC001232334954 978009463 /nfs/dbraw/zinc/00/94/63/978009463.db2.gz QIVYNLILUOTPBO-UHFFFAOYSA-N 1 0 206.289 2.016 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001176252456 978013661 /nfs/dbraw/zinc/01/36/61/978013661.db2.gz JPKQIPJTNLSWCM-UPJWGTAASA-N 1 0 239.359 2.472 20 30 BEEDRO CCCCN(CCC#N)Cc1ccc(N)nc1C ZINC001232344103 978026900 /nfs/dbraw/zinc/02/69/00/978026900.db2.gz JIIDMLKUOILJCD-UHFFFAOYSA-N 1 0 246.358 2.488 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(OC)cc2C)CC1 ZINC001232354018 978034957 /nfs/dbraw/zinc/03/49/57/978034957.db2.gz JOOAKFBKZLYXSW-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO CN(c1ccc(F)c(C#N)c1)c1cc(N)cc[nH+]1 ZINC001176614427 978138052 /nfs/dbraw/zinc/13/80/52/978138052.db2.gz HCHOAWBEYSVRSC-UHFFFAOYSA-N 1 0 242.257 2.442 20 30 BEEDRO C=C[C@]1(C)CC[C@H](OCC[NH+](C)C)C(C)(C)O1 ZINC001206278361 978146565 /nfs/dbraw/zinc/14/65/65/978146565.db2.gz MFHNCSNUBDIMKR-GXTWGEPZSA-N 1 0 241.375 2.467 20 30 BEEDRO N#C[C@@H]1CCCN(Cc2cc(F)ccn2)CC1 ZINC001232496867 978151922 /nfs/dbraw/zinc/15/19/22/978151922.db2.gz WWNNCLPRJYOACI-LLVKDONJSA-N 1 0 233.290 2.346 20 30 BEEDRO N#C[C@H]1CCCN(Cc2cc(F)ccn2)CC1 ZINC001232496868 978154992 /nfs/dbraw/zinc/15/49/92/978154992.db2.gz WWNNCLPRJYOACI-NSHDSACASA-N 1 0 233.290 2.346 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cc(C#N)ccc1[O-] ZINC001232675096 978239381 /nfs/dbraw/zinc/23/93/81/978239381.db2.gz LVJQITBOIIMKHR-JTQLQIEISA-N 1 0 218.300 2.494 20 30 BEEDRO C[C@H](CC(C)(C)S)OCC[NH+](C)C ZINC001206288253 978264628 /nfs/dbraw/zinc/26/46/28/978264628.db2.gz XIZUGGUTQMMDFV-SECBINFHSA-N 1 0 205.367 2.052 20 30 BEEDRO CCC[N@H+](CCOC)Cc1ccc(C#N)s1 ZINC001232842350 978306132 /nfs/dbraw/zinc/30/61/32/978306132.db2.gz ZNUMAXOYINKYMA-UHFFFAOYSA-N 1 0 238.356 2.478 20 30 BEEDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(C#N)s3)C[C@H]12 ZINC001232845928 978312447 /nfs/dbraw/zinc/31/24/47/978312447.db2.gz YEZWKYVSZWFAGH-OASPWFOLSA-N 1 0 248.351 2.086 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001337480263 978359921 /nfs/dbraw/zinc/35/99/21/978359921.db2.gz UGEHYNNNMGUWCY-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c(C#N)c1 ZINC001232967402 978372050 /nfs/dbraw/zinc/37/20/50/978372050.db2.gz LDQOWSYWPVWNKX-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO C=C(C)CCC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC001337535083 978395010 /nfs/dbraw/zinc/39/50/10/978395010.db2.gz KSHBSADWZAOAGE-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC001337649755 978443969 /nfs/dbraw/zinc/44/39/69/978443969.db2.gz LGXKUCFNRRGOCP-CYBMUJFWSA-N 1 0 227.348 2.078 20 30 BEEDRO Oc1cccc(C[NH+]2CCC(S)CC2)c1F ZINC001233053329 978448134 /nfs/dbraw/zinc/44/81/34/978448134.db2.gz OUSDEHBSNFNILM-UHFFFAOYSA-N 1 0 241.331 2.426 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001233083482 978462156 /nfs/dbraw/zinc/46/21/56/978462156.db2.gz MQZTUTVOAPCYAZ-HNNXBMFYSA-N 1 0 242.322 2.232 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)cc1C)C1CN(C)C1 ZINC001233083624 978463822 /nfs/dbraw/zinc/46/38/22/978463822.db2.gz SOZKZXTWNMQMPO-UHFFFAOYSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CCCC[NH+]1CCC2(C=C(C(N)=O)CC2)CC1 ZINC001277758583 978466038 /nfs/dbraw/zinc/46/60/38/978466038.db2.gz QKNREOOIMIWPHP-UHFFFAOYSA-N 1 0 248.370 2.240 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](Cc2ccco2)C1 ZINC001337728622 978473324 /nfs/dbraw/zinc/47/33/24/978473324.db2.gz VSWNQHYGOHEWFL-GFCCVEGCSA-N 1 0 207.273 2.057 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)CCC ZINC001277770636 978478073 /nfs/dbraw/zinc/47/80/73/978478073.db2.gz GTYOCFLWGRXRLX-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)CCC ZINC001277770635 978479119 /nfs/dbraw/zinc/47/91/19/978479119.db2.gz GTYOCFLWGRXRLX-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)c[nH]c1=O ZINC001233194783 978492348 /nfs/dbraw/zinc/49/23/48/978492348.db2.gz DKJKZSIBDBAZAX-UHFFFAOYSA-N 1 0 220.316 2.494 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)c2ccoc2)[C@H]1C ZINC001178110662 978505052 /nfs/dbraw/zinc/50/50/52/978505052.db2.gz HEZRAEFCBMOUPL-AAEUAGOBSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2c1CCO2 ZINC001233277293 978529127 /nfs/dbraw/zinc/52/91/27/978529127.db2.gz WFJQRROPZGEOTI-UHFFFAOYSA-N 1 0 203.285 2.239 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]CC(C)C)[C@@H]1C ZINC001178315932 978551020 /nfs/dbraw/zinc/55/10/20/978551020.db2.gz SMZBMMLZHGXGGZ-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2sncc2C)C1 ZINC001233321665 978563226 /nfs/dbraw/zinc/56/32/26/978563226.db2.gz YLJWFTUZELPZJE-LLVKDONJSA-N 1 0 220.341 2.297 20 30 BEEDRO COc1ccc(Nc2[nH+]ccn2C)c(C#N)c1 ZINC001212779207 978592106 /nfs/dbraw/zinc/59/21/06/978592106.db2.gz ZNDHCRGNCGAYNJ-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC001338114404 978615985 /nfs/dbraw/zinc/61/59/85/978615985.db2.gz ZVGQEDUKURJLKM-RISCZKNCSA-N 1 0 247.338 2.473 20 30 BEEDRO C=CC[N@H+](C)CCCNC(=O)c1cccc(C)c1 ZINC001233528660 978619929 /nfs/dbraw/zinc/61/99/29/978619929.db2.gz XHAINSUJVWEBQW-UHFFFAOYSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C(=O)OC)c(OC)c1 ZINC001233527995 978622081 /nfs/dbraw/zinc/62/20/81/978622081.db2.gz XVRPSBLGHHZOBU-UHFFFAOYSA-N 1 0 249.310 2.100 20 30 BEEDRO C=C[C@H](COC)[NH2+]C[C@@H]1CCOc2ccccc21 ZINC001338168764 978624996 /nfs/dbraw/zinc/62/49/96/978624996.db2.gz VHFWHXSCMBPNIH-QWHCGFSZSA-N 1 0 247.338 2.343 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCC(=C)C)[C@H]1C ZINC001178798235 978627591 /nfs/dbraw/zinc/62/75/91/978627591.db2.gz BPWLVFTWOOQTAN-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C)n2)C1 ZINC001249908175 978656887 /nfs/dbraw/zinc/65/68/87/978656887.db2.gz WHQKKKYZFLKVAF-CYBMUJFWSA-N 1 0 244.338 2.244 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1c[nH]c2ccccc12 ZINC001179047733 978662391 /nfs/dbraw/zinc/66/23/91/978662391.db2.gz NROANUOWMKRCHR-UHFFFAOYSA-N 1 0 243.310 2.224 20 30 BEEDRO N#Cc1ccc(CC[NH2+]Cc2nccs2)cc1 ZINC001179142409 978666698 /nfs/dbraw/zinc/66/66/98/978666698.db2.gz HRCSRXAHQHCNFR-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001338424243 978677638 /nfs/dbraw/zinc/67/76/38/978677638.db2.gz UMUKMSRXRGILTN-LBPRGKRZSA-N 1 0 211.349 2.414 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)Nc1cccnc1C#N ZINC001338445047 978683224 /nfs/dbraw/zinc/68/32/24/978683224.db2.gz RIRKTTUTEOJRGR-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C#CC[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC000068989885 978687667 /nfs/dbraw/zinc/68/76/67/978687667.db2.gz XMWHHQYGTVUBGI-JTQLQIEISA-N 1 0 207.704 2.494 20 30 BEEDRO CC#CCCCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001179310568 978691961 /nfs/dbraw/zinc/69/19/61/978691961.db2.gz XWPIMGZRSLVACG-UHFFFAOYSA-N 1 0 241.294 2.466 20 30 BEEDRO C#CCC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC001338484264 978693961 /nfs/dbraw/zinc/69/39/61/978693961.db2.gz UQIMERMOMQFTNF-UHFFFAOYSA-N 1 0 248.301 2.076 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)CCCCC ZINC001233977170 978745701 /nfs/dbraw/zinc/74/57/01/978745701.db2.gz CGDVNSQAKXROGQ-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001338887247 978746913 /nfs/dbraw/zinc/74/69/13/978746913.db2.gz HWMAOVIAJIEWMW-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC001277838419 978791723 /nfs/dbraw/zinc/79/17/23/978791723.db2.gz MLJBZCOZJWYDRL-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCNC(=O)C[NH2+]C(C)(C)C1CCCCC1 ZINC001339358866 978842784 /nfs/dbraw/zinc/84/27/84/978842784.db2.gz OJMUPNIARSEXJH-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001339421067 978849700 /nfs/dbraw/zinc/84/97/00/978849700.db2.gz RAYMJZAITYGJBQ-MGPQQGTHSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001339421068 978850132 /nfs/dbraw/zinc/85/01/32/978850132.db2.gz RAYMJZAITYGJBQ-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C#Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)nc1 ZINC001339537032 978865272 /nfs/dbraw/zinc/86/52/72/978865272.db2.gz VLXNFUFMLWZSGI-KGLIPLIRSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1ccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC001339537050 978866036 /nfs/dbraw/zinc/86/60/36/978866036.db2.gz WDGIXDNQIGKSJW-KBPBESRZSA-N 1 0 241.338 2.102 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(O)cc1O ZINC001204279375 978944865 /nfs/dbraw/zinc/94/48/65/978944865.db2.gz WSCBAROZSLCRTI-UHFFFAOYSA-N 1 0 221.300 2.496 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC)C2 ZINC001110240053 978949267 /nfs/dbraw/zinc/94/92/67/978949267.db2.gz DRQUKDJJWLGCOM-UPJWGTAASA-N 1 0 236.359 2.084 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@@H](C[NH3+])C1CCCCCC1 ZINC001340079939 978967488 /nfs/dbraw/zinc/96/74/88/978967488.db2.gz RAANIZDKTUCZDM-AAEUAGOBSA-N 1 0 238.375 2.222 20 30 BEEDRO CCCCCCCN1CC[C@@]2(CC[NH2+]2)C1 ZINC001235067552 978967924 /nfs/dbraw/zinc/96/79/24/978967924.db2.gz ZTBUCPYFEWLLTG-ZDUSSCGKSA-N 1 0 210.365 2.395 20 30 BEEDRO CCCCCCCN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235073271 978969620 /nfs/dbraw/zinc/96/96/20/978969620.db2.gz AJZIVVHTUKIWDN-CHWSQXEVSA-N 1 0 210.365 2.393 20 30 BEEDRO CCCCCCCN1CC[C@H]2C[NH2+][C@H]2C1 ZINC001235191113 978991741 /nfs/dbraw/zinc/99/17/41/978991741.db2.gz MJEIOCQLBLHBCO-STQMWFEESA-N 1 0 210.365 2.251 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001181028776 978992871 /nfs/dbraw/zinc/99/28/71/978992871.db2.gz BLLYSRNGFQMPRV-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCNC(=O)CC12CCC[NH+]1CCC2 ZINC001181110611 979002145 /nfs/dbraw/zinc/00/21/45/979002145.db2.gz LAVPOYHEWKZXAW-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(CC)n2)C1 ZINC001235262023 979013215 /nfs/dbraw/zinc/01/32/15/979013215.db2.gz VUVXHEAPKVXKNS-ZDUSSCGKSA-N 1 0 228.339 2.489 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001277937647 979025263 /nfs/dbraw/zinc/02/52/63/979025263.db2.gz GYCFDQHLUCNDKF-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCC[C@@](C)(CO)C1 ZINC000151540942 979029748 /nfs/dbraw/zinc/02/97/48/979029748.db2.gz BLCWFKMFIJERRI-CQSZACIVSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)/C=C(\C)C2CC2)C1 ZINC001181279136 979031416 /nfs/dbraw/zinc/03/14/16/979031416.db2.gz GQLLPOODCPHHCH-IEZBTEQYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(C)c(OCCO)c(C)c1 ZINC001235358915 979033476 /nfs/dbraw/zinc/03/34/76/979033476.db2.gz ZUHNLVMEUHWYCP-UHFFFAOYSA-N 1 0 249.354 2.292 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC001235402123 979037994 /nfs/dbraw/zinc/03/79/94/979037994.db2.gz HONTZZWTABRPIB-ILXRZTDVSA-N 1 0 232.371 2.335 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CCC(=C)C ZINC001235452002 979047684 /nfs/dbraw/zinc/04/76/84/979047684.db2.gz SXIUGSYGNCNMHA-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C#Cc1cccc(CN2CC[NH2+][C@H](C(C)C)C2)c1 ZINC001235470642 979050984 /nfs/dbraw/zinc/05/09/84/979050984.db2.gz DBHWPOLXCGCXNF-INIZCTEOSA-N 1 0 242.366 2.098 20 30 BEEDRO C[C@H]1COCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235511323 979059327 /nfs/dbraw/zinc/05/93/27/979059327.db2.gz GULXXHGNYPEEBW-CYBMUJFWSA-N 1 0 244.338 2.221 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235511036 979060650 /nfs/dbraw/zinc/06/06/50/979060650.db2.gz FMUOQTWTDUANQK-HNNXBMFYSA-N 1 0 244.338 2.363 20 30 BEEDRO COC1CC[NH+](Cc2ccccc2CC#N)CC1 ZINC001235511931 979061252 /nfs/dbraw/zinc/06/12/52/979061252.db2.gz NFRVBCVZIAOTGG-UHFFFAOYSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C(N)=O)c1ccccc1 ZINC001181371357 979064299 /nfs/dbraw/zinc/06/42/99/979064299.db2.gz ALUTTWJEPUTCAW-AAEUAGOBSA-N 1 0 232.327 2.157 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC1(C[NH3+])CCCCC1 ZINC001340766348 979098416 /nfs/dbraw/zinc/09/84/16/979098416.db2.gz ASJRUVWRJISVJG-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@@H](c2ccccc2F)C1 ZINC001235724155 979135172 /nfs/dbraw/zinc/13/51/72/979135172.db2.gz CLKRWSYUGULCTO-CYBMUJFWSA-N 1 0 248.345 2.391 20 30 BEEDRO C[C@H]([NH3+])CN1CCC(c2cccc(C#N)c2)CC1 ZINC001235718406 979137389 /nfs/dbraw/zinc/13/73/89/979137389.db2.gz GTCDHKYSLHZALU-LBPRGKRZSA-N 1 0 243.354 2.085 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC([NH3+])(CC)CC1 ZINC001340966232 979180790 /nfs/dbraw/zinc/18/07/90/979180790.db2.gz HJXHYEADLAIQTF-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCCc2cccnc2)C1 ZINC001341024947 979197985 /nfs/dbraw/zinc/19/79/85/979197985.db2.gz KPZHOOUMNFOVOO-HNNXBMFYSA-N 1 0 246.354 2.291 20 30 BEEDRO C=CCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](N)C1 ZINC001235906811 979204740 /nfs/dbraw/zinc/20/47/40/979204740.db2.gz VJRJTORWYVWKIC-OLZOCXBDSA-N 1 0 228.355 2.494 20 30 BEEDRO C[C@]1(CO)CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC001341092037 979227321 /nfs/dbraw/zinc/22/73/21/979227321.db2.gz CJTBULZSVLZMKI-JXQTWKCFSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[NH2+]CCN(C)C/C=C/c1ccccc1 ZINC001235959266 979230416 /nfs/dbraw/zinc/23/04/16/979230416.db2.gz FQYMMGJTWOKZCI-JXMROGBWSA-N 1 0 230.355 2.407 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341153811 979234153 /nfs/dbraw/zinc/23/41/53/979234153.db2.gz HPDMANJGDVCIDO-IUCAKERBSA-N 1 0 223.238 2.214 20 30 BEEDRO C=CC[NH2+]CCN(CC=C)Cc1ccccc1 ZINC001235963669 979235335 /nfs/dbraw/zinc/23/53/35/979235335.db2.gz XOZJJTCBFANQTO-UHFFFAOYSA-N 1 0 230.355 2.450 20 30 BEEDRO C#Cc1cccc(CN(CC)[C@@H]2CCC[NH2+]C2)c1 ZINC001236008591 979298460 /nfs/dbraw/zinc/29/84/60/979298460.db2.gz UOSRPCUSBBCNCL-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[C@@]3([NH3+])C2)CC1 ZINC001236016185 979302389 /nfs/dbraw/zinc/30/23/89/979302389.db2.gz ONMSSIFTZISPCW-RBSFLKMASA-N 1 0 232.371 2.322 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001341377147 979364977 /nfs/dbraw/zinc/36/49/77/979364977.db2.gz URZXPLNHMAHAJG-UWVGGRQHSA-N 1 0 249.276 2.440 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1(CC(C)C)CC1 ZINC001341401675 979375516 /nfs/dbraw/zinc/37/55/16/979375516.db2.gz OGIWZFSEWPPODI-GFCCVEGCSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCC[N@H+]1CCNC[C@H]1CCC ZINC001236132269 979402608 /nfs/dbraw/zinc/40/26/08/979402608.db2.gz IZUSTAVXBBQUPF-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCOc1ccccc1CN1CCC[C@@H]1C[NH3+] ZINC001236245123 979462754 /nfs/dbraw/zinc/46/27/54/979462754.db2.gz JCEJTVDIUHYSIV-CQSZACIVSA-N 1 0 246.354 2.175 20 30 BEEDRO C=CCCCCCCCN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236282185 979485342 /nfs/dbraw/zinc/48/53/42/979485342.db2.gz JDXNAKKTJRNYSG-KGLIPLIRSA-N 1 0 222.376 2.417 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001236281837 979485746 /nfs/dbraw/zinc/48/57/46/979485746.db2.gz FJZRFWVRCCUUQA-RBSFLKMASA-N 1 0 232.371 2.193 20 30 BEEDRO N#CCCCC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001250060159 979538938 /nfs/dbraw/zinc/53/89/38/979538938.db2.gz LRSSIVRTDCWLOW-AWEZNQCLSA-N 1 0 234.343 2.491 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccccc1O ZINC001341749347 979542046 /nfs/dbraw/zinc/54/20/46/979542046.db2.gz AOJCHLZSQMMSQE-SNVBAGLBSA-N 1 0 234.299 2.014 20 30 BEEDRO N#CCc1cccc(-c2cccc3c2CC[NH2+]C3)n1 ZINC001236343014 979543728 /nfs/dbraw/zinc/54/37/28/979543728.db2.gz GJPPDKOUVIOHQO-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#Cc1cc(-c2cccc3c2CC[NH2+]C3)ccn1 ZINC001236347898 979546292 /nfs/dbraw/zinc/54/62/92/979546292.db2.gz JXULVRKFQAAFCC-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO N#CCc1cccnc1-c1cccc2c1CC[NH2+]C2 ZINC001236344163 979546963 /nfs/dbraw/zinc/54/69/63/979546963.db2.gz NUNPTYRTNOVHMM-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO C=C1CCC(CNC(=O)c2coc(C[NH3+])c2)CC1 ZINC001341794946 979561202 /nfs/dbraw/zinc/56/12/02/979561202.db2.gz IODLNVJLIIGEKZ-UHFFFAOYSA-N 1 0 248.326 2.215 20 30 BEEDRO Cc1c(C(=O)O[C@H](C)CC#N)ccc2c[nH+]cn21 ZINC001341805326 979565317 /nfs/dbraw/zinc/56/53/17/979565317.db2.gz QTFHMVKMCTUONH-SECBINFHSA-N 1 0 243.266 2.102 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2cnc(C#N)cn2)c1 ZINC001236414461 979587095 /nfs/dbraw/zinc/58/70/95/979587095.db2.gz QHQVWQTYBNJLOP-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCCCC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC001341980874 979606552 /nfs/dbraw/zinc/60/65/52/979606552.db2.gz GVDFTYCTBNDKLO-AWEZNQCLSA-N 1 0 236.359 2.087 20 30 BEEDRO N#Cc1ccc(-c2cc(C[NH3+])ccn2)c(F)c1 ZINC001236525776 979618666 /nfs/dbraw/zinc/61/86/66/979618666.db2.gz MSJRSVVLQQLNSF-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)CC)C1 ZINC001182841875 979659350 /nfs/dbraw/zinc/65/93/50/979659350.db2.gz WRYUXEPEXOYQLX-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCOCC[N@H+](C)CCCc1ccsc1 ZINC001342160177 979684520 /nfs/dbraw/zinc/68/45/20/979684520.db2.gz JYMZPGQLMXRNRG-UHFFFAOYSA-N 1 0 237.368 2.262 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)NC1(CC2CC2)CC1 ZINC001183092066 979729107 /nfs/dbraw/zinc/72/91/07/979729107.db2.gz ULKQMWRCCIIEGM-UHFFFAOYSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC001342301630 979760473 /nfs/dbraw/zinc/76/04/73/979760473.db2.gz PEQWKACEUANZET-CYBMUJFWSA-N 1 0 243.310 2.180 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC001342301631 979762386 /nfs/dbraw/zinc/76/23/86/979762386.db2.gz PEQWKACEUANZET-ZDUSSCGKSA-N 1 0 243.310 2.180 20 30 BEEDRO CC[C@H]([NH3+])CN(C)Cc1ccc(C#N)cc1C ZINC001236884299 979777262 /nfs/dbraw/zinc/77/72/62/979777262.db2.gz NYZGJHPUFOJCDE-AWEZNQCLSA-N 1 0 231.343 2.036 20 30 BEEDRO CC[C@H]([NH3+])CN(C)Cc1ccc(C)c(C#N)c1 ZINC001236869728 979777881 /nfs/dbraw/zinc/77/78/81/979777881.db2.gz YEMFCOXPPRDQGT-AWEZNQCLSA-N 1 0 231.343 2.036 20 30 BEEDRO CCc1cc(CN(C)C[C@@H]([NH3+])CC)ccc1C#N ZINC001236884955 979781343 /nfs/dbraw/zinc/78/13/43/979781343.db2.gz VVWVWCTXKMJSAX-HNNXBMFYSA-N 1 0 245.370 2.290 20 30 BEEDRO C=CCCC[N@@H+](CC)CC(=O)NCCCC ZINC001342388791 979787627 /nfs/dbraw/zinc/78/76/27/979787627.db2.gz YUQLQPXBCUXWAS-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CC(C)C[C@@H]([NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC001342383319 979788268 /nfs/dbraw/zinc/78/82/68/979788268.db2.gz IZTPKSVTUBWECS-GFCCVEGCSA-N 1 0 245.326 2.260 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)CCC)C[C@H]1C ZINC001183721590 979876266 /nfs/dbraw/zinc/87/62/66/979876266.db2.gz CNQFUDQTIGFJIU-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC001342812499 979900347 /nfs/dbraw/zinc/90/03/47/979900347.db2.gz VJPIAGRIVBLTOD-DGCLKSJQSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NC(C(C)C)C(C)C ZINC001342828026 979908498 /nfs/dbraw/zinc/90/84/98/979908498.db2.gz TWCXEEZFQGBRNR-LBPRGKRZSA-N 1 0 240.391 2.467 20 30 BEEDRO C#CC1CC[NH+](Cc2ccn3nccc3c2)CC1 ZINC001237544250 979937528 /nfs/dbraw/zinc/93/75/28/979937528.db2.gz GEKFIPZLXUIHKY-UHFFFAOYSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cn3cc(C#N)ccc3n2)C1 ZINC001237609345 979974051 /nfs/dbraw/zinc/97/40/51/979974051.db2.gz PWPXJTBOTGRRMU-NSHDSACASA-N 1 0 240.310 2.048 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC001343010327 979976727 /nfs/dbraw/zinc/97/67/27/979976727.db2.gz INCSHYGPUNUYEU-VXGBXAGGSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC001343048147 979995293 /nfs/dbraw/zinc/99/52/93/979995293.db2.gz UFHMVSJDHRJIGB-CYBMUJFWSA-N 1 0 244.338 2.302 20 30 BEEDRO CCc1n[nH]cc1C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001237652981 980004198 /nfs/dbraw/zinc/00/41/98/980004198.db2.gz AOLZHNPYKXHPKY-LLVKDONJSA-N 1 0 232.331 2.098 20 30 BEEDRO CCc1n[nH]cc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001237650483 980004872 /nfs/dbraw/zinc/00/48/72/980004872.db2.gz HPAAQDGNXZUQRN-NSHDSACASA-N 1 0 232.331 2.098 20 30 BEEDRO N#CCCCCC(=O)Nc1ccccc1C[NH3+] ZINC001343105414 980008419 /nfs/dbraw/zinc/00/84/19/980008419.db2.gz QVBUKEHXGYMKMR-UHFFFAOYSA-N 1 0 231.299 2.168 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC001343138264 980020491 /nfs/dbraw/zinc/02/04/91/980020491.db2.gz CUIWAEPVGXTFRJ-VXGBXAGGSA-N 1 0 243.322 2.128 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(OC)ccc1C ZINC001237708743 980032724 /nfs/dbraw/zinc/03/27/24/980032724.db2.gz ACLSFFGTZYGZQG-UHFFFAOYSA-N 1 0 203.285 2.069 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC001343466595 980117719 /nfs/dbraw/zinc/11/77/19/980117719.db2.gz IEUIQYWVDMEVHV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1(C)CC[NH2+]CC1 ZINC001343466596 980118160 /nfs/dbraw/zinc/11/81/60/980118160.db2.gz IEUIQYWVDMEVHV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCCC[N@H+]1CCNCC[C@@H]1C ZINC001205326285 980194015 /nfs/dbraw/zinc/19/40/15/980194015.db2.gz XSBWJBVXBGGTAG-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C#CC[N@@H+](C)Cc1cccc(-c2cc[nH]n2)c1 ZINC001238207927 980223757 /nfs/dbraw/zinc/22/37/57/980223757.db2.gz SNCVDSQAGFEDNM-UHFFFAOYSA-N 1 0 225.295 2.142 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC001343822340 980248570 /nfs/dbraw/zinc/24/85/70/980248570.db2.gz DUSRZQLLAGJWES-VIFPVBQESA-N 1 0 223.238 2.216 20 30 BEEDRO CCc1cc(C[N@@H+]2CC[C@@H]2COC)ccc1C#N ZINC001238771959 980322260 /nfs/dbraw/zinc/32/22/60/980322260.db2.gz LAVZFFXGJZZNDP-OAHLLOKOSA-N 1 0 244.338 2.341 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CC2CCC(=O)CC2)C1 ZINC001344125963 980351872 /nfs/dbraw/zinc/35/18/72/980351872.db2.gz XBLGXLYZJUFBJK-AWEZNQCLSA-N 1 0 237.343 2.023 20 30 BEEDRO N#Cc1cc2c(nc1C1=CCC[NH2+]CC1)CCC2 ZINC001238937210 980373271 /nfs/dbraw/zinc/37/32/71/980373271.db2.gz QXFDXMZVYUZZIT-UHFFFAOYSA-N 1 0 239.322 2.209 20 30 BEEDRO Cc1cc(C2=CCC[NH2+]CC2)nc(C)c1C#N ZINC001238940982 980379440 /nfs/dbraw/zinc/37/94/40/980379440.db2.gz RVGHBICXIWHHKB-UHFFFAOYSA-N 1 0 227.311 2.337 20 30 BEEDRO N#CCOc1ccccc1C1=CCC[NH2+]CC1 ZINC001238944442 980381766 /nfs/dbraw/zinc/38/17/66/980381766.db2.gz IRRPCSUZXZKHKE-UHFFFAOYSA-N 1 0 228.295 2.356 20 30 BEEDRO N#Cc1c[nH]c2nccc(C3=CCC[NH2+]CC3)c12 ZINC001238944502 980383222 /nfs/dbraw/zinc/38/32/22/980383222.db2.gz KNSFANSWZSXHLZ-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)CCC)C1 ZINC001186629841 980416136 /nfs/dbraw/zinc/41/61/36/980416136.db2.gz FISMPCAYNLGLKR-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)c1noc(CC[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC001344580683 980435906 /nfs/dbraw/zinc/43/59/06/980435906.db2.gz QPIMLHAAPRNCIX-WDEREUQCSA-N 1 0 248.330 2.017 20 30 BEEDRO C=C[C@@H](CC)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001344595585 980442259 /nfs/dbraw/zinc/44/22/59/980442259.db2.gz YGTJXQCYLUUCOJ-NWDGAFQWSA-N 1 0 225.332 2.367 20 30 BEEDRO CCCCCCCCOC(=O)NC[C@H](C)[NH3+] ZINC001239315527 980525224 /nfs/dbraw/zinc/52/52/24/980525224.db2.gz OXHLLZHTEGJYSP-NSHDSACASA-N 1 0 230.352 2.420 20 30 BEEDRO CCCCCCCOC(=O)NC[C@H](C)C[NH3+] ZINC001239321914 980531337 /nfs/dbraw/zinc/53/13/37/980531337.db2.gz JCBMAPWWXJGGLJ-LLVKDONJSA-N 1 0 230.352 2.278 20 30 BEEDRO CCCCCCCOC(=O)N[C@H]1C[C@H]([NH2+]C)C1 ZINC001239325384 980533538 /nfs/dbraw/zinc/53/35/38/980533538.db2.gz LNTDNJDEDPXOLV-HAQNSBGRSA-N 1 0 242.363 2.433 20 30 BEEDRO CCCCCCCOC(=O)NC12CC([NH3+])(C1)C2 ZINC001239327273 980534439 /nfs/dbraw/zinc/53/44/39/980534439.db2.gz JGSAGJDMFAQLQR-UHFFFAOYSA-N 1 0 240.347 2.317 20 30 BEEDRO CCCCCCCOC(=O)N[C@H]1C[C@@H]([NH2+]C)C1 ZINC001239327368 980535536 /nfs/dbraw/zinc/53/55/36/980535536.db2.gz LNTDNJDEDPXOLV-TXEJJXNPSA-N 1 0 242.363 2.433 20 30 BEEDRO C=C(C)CCC(=O)O[C@@H](CC)C[NH+](C)C ZINC001345505874 980623314 /nfs/dbraw/zinc/62/33/14/980623314.db2.gz SBDDQRSQJRMZQX-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO Cc1cc(C#N)ccc1CCn1ccnc1 ZINC001250318906 980757243 /nfs/dbraw/zinc/75/72/43/980757243.db2.gz LPBUUWBRZWQUFF-UHFFFAOYSA-N 1 0 211.268 2.306 20 30 BEEDRO N#Cc1cncc(Nc2ccc3c[nH+]cn3c2)c1 ZINC001250323698 980763677 /nfs/dbraw/zinc/76/36/77/980763677.db2.gz IRGHJCPKUHFUTE-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO N#Cc1ccncc1Nc1ccc2c[nH+]cn2c1 ZINC001250326832 980771506 /nfs/dbraw/zinc/77/15/06/980771506.db2.gz AAJCHRQSUHBTTA-UHFFFAOYSA-N 1 0 235.250 2.345 20 30 BEEDRO C=C(CC)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC001346234466 980792803 /nfs/dbraw/zinc/79/28/03/980792803.db2.gz MRYKPPFUWOKEKU-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC001189538689 980804910 /nfs/dbraw/zinc/80/49/10/980804910.db2.gz SDJWZDAEHGCGSV-NPQIQWPPSA-N 1 0 248.370 2.061 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1nccnc1C#N ZINC001239680396 980840725 /nfs/dbraw/zinc/84/07/25/980840725.db2.gz RXOAVXCGQXGFIW-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC001346831266 980916683 /nfs/dbraw/zinc/91/66/83/980916683.db2.gz LGDYHNXXJUDHPR-ZDUSSCGKSA-N 1 0 240.391 2.291 20 30 BEEDRO N#CCc1cc(F)cc(-c2cncc(C[NH3+])c2)c1 ZINC001239809060 980948424 /nfs/dbraw/zinc/94/84/24/980948424.db2.gz NWADLNSMINYJHX-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO CCCCCCCNC(=O)N[C@H](C)C[NH+](C)C ZINC001191113076 980972893 /nfs/dbraw/zinc/97/28/93/980972893.db2.gz QQVXXJBBJMIMAL-GFCCVEGCSA-N 1 0 243.395 2.206 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC=C ZINC001278303669 980982348 /nfs/dbraw/zinc/98/23/48/980982348.db2.gz UYQUPHCWCWKMFR-KGLIPLIRSA-N 1 0 248.370 2.204 20 30 BEEDRO CCC#C[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001191173920 980990770 /nfs/dbraw/zinc/99/07/70/980990770.db2.gz KQQHZZZLDFTCKQ-KBPBESRZSA-N 1 0 222.376 2.062 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC001347341680 981053334 /nfs/dbraw/zinc/05/33/34/981053334.db2.gz SHMFTLQIQAIDOJ-HIFRSBDPSA-N 1 0 242.322 2.336 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC)C1 ZINC001191912356 981093478 /nfs/dbraw/zinc/09/34/78/981093478.db2.gz NUKVWYLKLYXJHR-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@]1(O)CCCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC001203757371 981158195 /nfs/dbraw/zinc/15/81/95/981158195.db2.gz LWNSCZVCNIVELT-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C1(CC)CCCCC1 ZINC001152054108 981185294 /nfs/dbraw/zinc/18/52/94/981185294.db2.gz PZYNPAWLYCMTRF-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(CC(C)C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC001347835393 981189606 /nfs/dbraw/zinc/18/96/06/981189606.db2.gz SRYLVOWYBMMEHH-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C/C(=C\C=C\N)c1cc(C#N)cc(C2C[NH2+]C2)c1 ZINC001240350618 981308991 /nfs/dbraw/zinc/30/89/91/981308991.db2.gz BUYHQRQVOVHBPP-UGHVFFQZSA-N 1 0 239.322 2.121 20 30 BEEDRO N#Cc1cc(-c2ccc(N)cc2)cc(C2C[NH2+]C2)c1 ZINC001240356374 981312951 /nfs/dbraw/zinc/31/29/51/981312951.db2.gz QTRODXOAIJTQQB-UHFFFAOYSA-N 1 0 249.317 2.494 20 30 BEEDRO C[C@@H](C[NH+]1CCC(C#N)CC1)C(F)(F)F ZINC000336173398 981390130 /nfs/dbraw/zinc/39/01/30/981390130.db2.gz GYLZBCIORJTJFE-QMMMGPOBSA-N 1 0 220.238 2.420 20 30 BEEDRO N#CCc1ncccc1-c1ccc2c(c1)CC[NH2+]C2 ZINC001240458681 981393304 /nfs/dbraw/zinc/39/33/04/981393304.db2.gz PBPMYFXKMZJYAB-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO N#Cc1cc2c(cccc2C2=CC[NH2+]CC2)[nH]1 ZINC001240466797 981401737 /nfs/dbraw/zinc/40/17/37/981401737.db2.gz HUDXJKRXFNYWEJ-UHFFFAOYSA-N 1 0 223.279 2.416 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)Nc1cccc(C#N)n1 ZINC001348657481 981416708 /nfs/dbraw/zinc/41/67/08/981416708.db2.gz BBLRBWQVFOYEFW-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO SCc1ccccc1C1=CCC[NH2+]C1 ZINC001240669467 981578096 /nfs/dbraw/zinc/57/80/96/981578096.db2.gz MECQYFDVZTYWEO-UHFFFAOYSA-N 1 0 205.326 2.493 20 30 BEEDRO Cc1c([C@H](C)[NH2+]C2CCC(C#N)CC2)cnn1C ZINC001349608550 981595625 /nfs/dbraw/zinc/59/56/25/981595625.db2.gz PODNXFKUSZNRQW-PKSQDBQZSA-N 1 0 246.358 2.462 20 30 BEEDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCCCCC#N)C2 ZINC001205656436 981634912 /nfs/dbraw/zinc/63/49/12/981634912.db2.gz VUOMIAZWIXMTFM-CLLJXQQHSA-N 1 0 222.332 2.322 20 30 BEEDRO C=CCOC(=O)Nc1ccccc1C[NH+](C)C ZINC001194319866 981664975 /nfs/dbraw/zinc/66/49/75/981664975.db2.gz ITMWKLJAFRLJNI-UHFFFAOYSA-N 1 0 234.299 2.483 20 30 BEEDRO C=CCOC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC001194328415 981685690 /nfs/dbraw/zinc/68/56/90/981685690.db2.gz QNFOAJWUURJAGJ-UHFFFAOYSA-N 1 0 248.326 2.160 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)CCCCC)CC1 ZINC001349770081 981725552 /nfs/dbraw/zinc/72/55/52/981725552.db2.gz BVTFCQIZZJOXCI-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO C=CCOC(=O)Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001194329555 981756248 /nfs/dbraw/zinc/75/62/48/981756248.db2.gz JJBKTTJBKUHVJT-UHFFFAOYSA-N 1 0 246.310 2.409 20 30 BEEDRO C=CCOC(=O)NCCCCC[NH+]1CCCC1 ZINC001194338628 981777794 /nfs/dbraw/zinc/77/77/94/981777794.db2.gz RGJQIRPJMODVOK-UHFFFAOYSA-N 1 0 240.347 2.165 20 30 BEEDRO C=CCCc1csc([C@H]2CC[NH2+]C2)n1 ZINC001350092731 981869432 /nfs/dbraw/zinc/86/94/32/981869432.db2.gz OVTCVJPBDWWUFO-VIFPVBQESA-N 1 0 208.330 2.339 20 30 BEEDRO C=C(C)c1ccc(C(=O)N2CCC([NH3+])CC2)cc1 ZINC001240836507 981878675 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ZINC001242022487 983232287 /nfs/dbraw/zinc/23/22/87/983232287.db2.gz WIIFKIRZZZYLDW-OLZOCXBDSA-N 1 0 225.295 2.169 20 30 BEEDRO Cc1nccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1C#N ZINC001242027636 983238043 /nfs/dbraw/zinc/23/80/43/983238043.db2.gz FMDNSDGTAVWKPV-NEPJUHHUSA-N 1 0 225.295 2.169 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC001354486750 983313879 /nfs/dbraw/zinc/31/38/79/983313879.db2.gz BHILEBXUMMZIKC-JHJVBQTASA-N 1 0 238.375 2.222 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCC(=O)[C@H](C)C1 ZINC001354635439 983336948 /nfs/dbraw/zinc/33/69/48/983336948.db2.gz OOXHHOWEYOXVJV-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C=CCCCC(=O)NCC1CC([NH2+]C(C)C)C1 ZINC001100624632 983337887 /nfs/dbraw/zinc/33/78/87/983337887.db2.gz VFFMVLXFIWLXGZ-UHFFFAOYSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCN1C(=O)CC[C@]12CCC[N@@H+](CC)CC2 ZINC001201581369 983341360 /nfs/dbraw/zinc/34/13/60/983341360.db2.gz TXFGSDJSWJCEPD-AWEZNQCLSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC001354735029 983351895 /nfs/dbraw/zinc/35/18/95/983351895.db2.gz NJODNYGWJZHUJW-JHJVBQTASA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCN1C(=O)CCC12CC[NH+](CCC)CC2 ZINC001201638915 983367296 /nfs/dbraw/zinc/36/72/96/983367296.db2.gz UQOTXNOILDBXSL-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO CCCCC[N@@H+]1CCC2SC(=O)C=C2C1 ZINC001201727203 983433465 /nfs/dbraw/zinc/43/34/65/983433465.db2.gz NUHZIRIFKNRHQT-NSHDSACASA-N 1 0 225.357 2.451 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001201761334 983467931 /nfs/dbraw/zinc/46/79/31/983467931.db2.gz ASELRVSKPJGDDM-KBPBESRZSA-N 1 0 243.391 2.022 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001201804143 983477685 /nfs/dbraw/zinc/47/76/85/983477685.db2.gz CXDVIODABIEVGL-NWDGAFQWSA-N 1 0 217.328 2.362 20 30 BEEDRO CCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001252089933 983481486 /nfs/dbraw/zinc/48/14/86/983481486.db2.gz UUMMKRMQEZEMHB-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCCCCCC[N@H+](C)C[C@@H](O)CO ZINC001201840026 983492213 /nfs/dbraw/zinc/49/22/13/983492213.db2.gz RVLAFYSELVMFCY-CYBMUJFWSA-N 1 0 231.380 2.022 20 30 BEEDRO C=C(C)CN1CC[C@]2(CCC[N@H+]2C(C)C)C1=O ZINC001273920254 983509920 /nfs/dbraw/zinc/50/99/20/983509920.db2.gz ANVPSBAYRSPBEB-CQSZACIVSA-N 1 0 236.359 2.038 20 30 BEEDRO N#Cc1ncccc1-c1ccc(C[NH3+])cc1 ZINC001242310068 983538406 /nfs/dbraw/zinc/53/84/06/983538406.db2.gz QZLNPBQBHWSTRG-UHFFFAOYSA-N 1 0 209.252 2.079 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CSCCC ZINC001356043494 983557035 /nfs/dbraw/zinc/55/70/35/983557035.db2.gz AGGKEJSEVRUZIP-TUAOUCFPSA-N 1 0 229.389 2.451 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC([NH2+]CC)CC1 ZINC001202138972 983571193 /nfs/dbraw/zinc/57/11/93/983571193.db2.gz RVCKXDLPVPBBAC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCc1nc(C)c(C[N@@H+]2CCC[C@@H](C#N)CC2)[nH]1 ZINC001203247224 983588328 /nfs/dbraw/zinc/58/83/28/983588328.db2.gz WMCNGXKHROGYGN-GFCCVEGCSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](CC)C1 ZINC001357193662 983672726 /nfs/dbraw/zinc/67/27/26/983672726.db2.gz IPEUYYFHAMGUTJ-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001357241564 983677212 /nfs/dbraw/zinc/67/72/12/983677212.db2.gz IUSNJVJKGXXJAR-RWMBFGLXSA-N 1 0 236.359 2.065 20 30 BEEDRO C=C[C@H](C)NC(=O)CCCCC1CC[NH2+]CC1 ZINC001357274754 983685631 /nfs/dbraw/zinc/68/56/31/983685631.db2.gz WYCURYKGHFSTSC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CCCC[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001252113419 983698110 /nfs/dbraw/zinc/69/81/10/983698110.db2.gz ZGCYZPPSTRCVJZ-AVGNSLFASA-N 1 0 224.348 2.209 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H]1C[C@H](O)C1 ZINC001252132677 983715907 /nfs/dbraw/zinc/71/59/07/983715907.db2.gz BBLHBSRRVYXOJA-MGPQQGTHSA-N 1 0 243.391 2.211 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(N)ccc1C ZINC001357458508 983720988 /nfs/dbraw/zinc/72/09/88/983720988.db2.gz XPGFDNACHJYGKG-GFCCVEGCSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)C(C)(C)C)C1CC1 ZINC001490733354 983739245 /nfs/dbraw/zinc/73/92/45/983739245.db2.gz XGEWCENGMBQZKJ-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOC[C@@H](O)C[NH+]1CCC(CCC)CC1 ZINC001252466242 983790701 /nfs/dbraw/zinc/79/07/01/983790701.db2.gz NTODTTWLUUSMSG-AWEZNQCLSA-N 1 0 241.375 2.062 20 30 BEEDRO Cc1cc(C#N)cc(-c2cccc(C[NH3+])n2)c1 ZINC001242476556 983804393 /nfs/dbraw/zinc/80/43/93/983804393.db2.gz BDLOIRAGLPTFFS-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(Cl)cc1 ZINC001252539675 983804849 /nfs/dbraw/zinc/80/48/49/983804849.db2.gz XDAMZGCQCSYYCC-GFCCVEGCSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C[C@](C)(O)CNc1ccc(N(C)C)cc1 ZINC001252538100 983805173 /nfs/dbraw/zinc/80/51/73/983805173.db2.gz BINFGMOUHIRQKF-ZDUSSCGKSA-N 1 0 220.316 2.102 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC001252548848 983814082 /nfs/dbraw/zinc/81/40/82/983814082.db2.gz WGSOPLRCEXOQAL-LSDHHAIUSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cn(C)c2ccccc12 ZINC001252567759 983823720 /nfs/dbraw/zinc/82/37/20/983823720.db2.gz CZODFBAWULMHKB-HNNXBMFYSA-N 1 0 244.338 2.205 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(OCC)cc1 ZINC001252571125 983825689 /nfs/dbraw/zinc/82/56/89/983825689.db2.gz DUDFWPCXRFBHIU-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1c(F)ccc(C)c1F ZINC001252572344 983828367 /nfs/dbraw/zinc/82/83/67/983828367.db2.gz PRERNRBHAACNJE-ZDUSSCGKSA-N 1 0 241.281 2.300 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2oc(C)nc2c1 ZINC001252574857 983829828 /nfs/dbraw/zinc/82/98/28/983829828.db2.gz RYRIZHWIJPOXQI-CQSZACIVSA-N 1 0 246.310 2.163 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCCc1ccc(F)cc1 ZINC001252573539 983829945 /nfs/dbraw/zinc/82/99/45/983829945.db2.gz FVROANVOPCLCEY-AWEZNQCLSA-N 1 0 237.318 2.285 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc2ccccc2o1 ZINC001252577154 983832427 /nfs/dbraw/zinc/83/24/27/983832427.db2.gz VMCMQOOSXRFRSC-AWEZNQCLSA-N 1 0 231.295 2.459 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC001252576982 983832437 /nfs/dbraw/zinc/83/24/37/983832437.db2.gz ROCNKYKVVBLLFT-ZIAGYGMSSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](CC)c1cccnc1 ZINC001252577308 983832482 /nfs/dbraw/zinc/83/24/82/983832482.db2.gz YGVSJPFVTSCFJJ-STQMWFEESA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2cccc(F)c2)CC1 ZINC001252579988 983834028 /nfs/dbraw/zinc/83/40/28/983834028.db2.gz ZVXIFJFQVBYSOC-ZDUSSCGKSA-N 1 0 235.302 2.341 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC001252582055 983834346 /nfs/dbraw/zinc/83/43/46/983834346.db2.gz NKWADKIAMYDTIU-ZIAGYGMSSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(C)c(OC)cc1C ZINC001252581779 983834619 /nfs/dbraw/zinc/83/46/19/983834619.db2.gz JOKSPDLYUSUKOF-HNNXBMFYSA-N 1 0 249.354 2.339 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(Cc2ccc(F)cc2)CC1 ZINC001252585604 983835726 /nfs/dbraw/zinc/83/57/26/983835726.db2.gz QXPQPCZGHSQZQW-CQSZACIVSA-N 1 0 249.329 2.427 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1sccc1C ZINC001252590129 983840572 /nfs/dbraw/zinc/84/05/72/983840572.db2.gz ZFBJODGJBCOZBO-LLVKDONJSA-N 1 0 225.357 2.473 20 30 BEEDRO C=CCC[C@@H](O)CNc1cc(C)[nH+]c(OC)c1 ZINC001252591877 983841609 /nfs/dbraw/zinc/84/16/09/983841609.db2.gz FFQSZAFWTSLRFL-GFCCVEGCSA-N 1 0 236.315 2.138 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001252613102 983846356 /nfs/dbraw/zinc/84/63/56/983846356.db2.gz WDUCLZDIJPKOJX-UTUOFQBUSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](CC)c1cccnc1 ZINC001252616292 983851032 /nfs/dbraw/zinc/85/10/32/983851032.db2.gz NHGCNRCTLJOISA-ZIAGYGMSSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)c1ccccn1 ZINC001252617283 983851097 /nfs/dbraw/zinc/85/10/97/983851097.db2.gz BTGORYXHLYZDJR-STQMWFEESA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC001252617955 983853563 /nfs/dbraw/zinc/85/35/63/983853563.db2.gz NCZRUNUJZROLCJ-WDEREUQCSA-N 1 0 233.302 2.481 20 30 BEEDRO Cc1ccc(C#N)cc1-c1cc(C[NH3+])ccn1 ZINC001242540660 983858292 /nfs/dbraw/zinc/85/82/92/983858292.db2.gz XJZCKPWQURCVHM-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=CCCCN(CC)C(=O)CCC(C)(C)[NH3+] ZINC001358506998 983880393 /nfs/dbraw/zinc/88/03/93/983880393.db2.gz ZYIBAWIXQQRNKS-UHFFFAOYSA-N 1 0 226.364 2.319 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC001358506070 983881718 /nfs/dbraw/zinc/88/17/18/983881718.db2.gz NUDNZNILTTVBMX-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CC1CC(C)C1 ZINC001473432132 983886968 /nfs/dbraw/zinc/88/69/68/983886968.db2.gz JGXXCRSYNXUFIC-UHFFFAOYSA-N 1 0 224.392 2.472 20 30 BEEDRO CC#CC[NH2+][C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871876709 983888113 /nfs/dbraw/zinc/88/81/13/983888113.db2.gz IMXOSQZUMVFTEF-AWEZNQCLSA-N 1 0 244.338 2.325 20 30 BEEDRO Cc1ccc(-c2cccc(C[NH3+])n2)c(C#N)c1 ZINC001242589223 983904083 /nfs/dbraw/zinc/90/40/83/983904083.db2.gz CBNNBWRFGKTCOZ-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(C)CCCCO1 ZINC001474590128 983910707 /nfs/dbraw/zinc/91/07/07/983910707.db2.gz NTCMKRQDYCDVCU-MELADBBJSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CN(C(=O)CCC)C[C@@H]1C ZINC001570330310 984023166 /nfs/dbraw/zinc/02/31/66/984023166.db2.gz WLCNZAROQGKXBQ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO N#CCc1ccc(-c2ccc3c(c2)C[NH2+]C3)nc1 ZINC001242671416 984039309 /nfs/dbraw/zinc/03/93/09/984039309.db2.gz ANTZGCZHLPKIPS-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO Cc1c[nH+]c(C2=CC(=O)C[C@@H](C)C2)cc1N ZINC001242737687 984082394 /nfs/dbraw/zinc/08/23/94/984082394.db2.gz MVYRRFIKSPBLCQ-QMMMGPOBSA-N 1 0 216.284 2.355 20 30 BEEDRO C#CCCCC(=O)NC/C=C/C[NH2+]CC=C(C)C ZINC001273985174 984137734 /nfs/dbraw/zinc/13/77/34/984137734.db2.gz XVNZKFPZURWQNL-BQYQJAHWSA-N 1 0 248.370 2.018 20 30 BEEDRO C=CCC1(O)CC[NH+](CCC(C)(C)C#N)CC1 ZINC000717399935 984188689 /nfs/dbraw/zinc/18/86/89/984188689.db2.gz VPSJYQRZUQWASK-UHFFFAOYSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(O)(CC=C)CC1 ZINC000717448307 984197011 /nfs/dbraw/zinc/19/70/11/984197011.db2.gz ODNBMTRUYSJTKC-GFCCVEGCSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000717521704 984210343 /nfs/dbraw/zinc/21/03/43/984210343.db2.gz OGNLWJBQXYGUMC-UPJWGTAASA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CCCC ZINC001319158440 984249948 /nfs/dbraw/zinc/24/99/48/984249948.db2.gz TYVTXMFXIXWTQS-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CCC(C)C ZINC000717793446 984293867 /nfs/dbraw/zinc/29/38/67/984293867.db2.gz HFFACPABSJTKPF-OLZOCXBDSA-N 1 0 211.349 2.175 20 30 BEEDRO N#Cc1ccc2cc(C3=CC[NH2+]CC3)ccc2n1 ZINC001240469634 984304728 /nfs/dbraw/zinc/30/47/28/984304728.db2.gz HIEMKQNRCCGWCS-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000389362860 984337497 /nfs/dbraw/zinc/33/74/97/984337497.db2.gz TUBKMSYBKDJQOF-RYUDHWBXSA-N 1 0 209.358 2.131 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)C(C)(C)C ZINC001274526594 984350367 /nfs/dbraw/zinc/35/03/67/984350367.db2.gz PAARJUSMTIITJM-SREVYHEPSA-N 1 0 238.375 2.261 20 30 BEEDRO C[NH2+]Cc1ccc(-c2ccncc2C#N)cc1 ZINC001242992744 984355017 /nfs/dbraw/zinc/35/50/17/984355017.db2.gz OUGXZFMJVKBHND-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C[NH2+]Cc1ccc(-c2cc(F)cnc2C#N)cc1 ZINC001242992941 984355358 /nfs/dbraw/zinc/35/53/58/984355358.db2.gz SZBJEKPARZOJTH-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C=C(CC)CNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001299353660 984363558 /nfs/dbraw/zinc/36/35/58/984363558.db2.gz LHUMFCHEHOEWLZ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)C ZINC001274678099 984363869 /nfs/dbraw/zinc/36/38/69/984363869.db2.gz BEJGVEMSKZFJAO-VXGBXAGGSA-N 1 0 226.364 2.091 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C=C/c1ccccc1 ZINC000717909581 984364723 /nfs/dbraw/zinc/36/47/23/984364723.db2.gz VGWHGKAPXFAXKI-JOZWUWCOSA-N 1 0 229.323 2.064 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)C1CC(C)C1 ZINC001274721486 984370235 /nfs/dbraw/zinc/37/02/35/984370235.db2.gz HBIOGFVTPSDDEM-OTTFEQOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC1(NC(=O)CC2CC([NH3+])C2)CCCC1 ZINC000718061016 984384123 /nfs/dbraw/zinc/38/41/23/984384123.db2.gz YTWWWXGKIZMPGJ-UHFFFAOYSA-N 1 0 236.359 2.119 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H](C)CCCCCCC ZINC000718185323 984401276 /nfs/dbraw/zinc/40/12/76/984401276.db2.gz QAJQZJVLKWRMCL-QWHCGFSZSA-N 1 0 211.349 2.319 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)/C(C)=C/C ZINC001275100180 984483516 /nfs/dbraw/zinc/48/35/16/984483516.db2.gz GKKVNCSGKGBAMK-UWUHSAQLSA-N 1 0 236.359 2.061 20 30 BEEDRO CCCCCCC[NH+]1CC2(CCN2C)C1 ZINC001275126522 984498088 /nfs/dbraw/zinc/49/80/88/984498088.db2.gz KIMIQERAQVEWFE-UHFFFAOYSA-N 1 0 210.365 2.347 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C[C@@H](C)CC ZINC001275135240 984499834 /nfs/dbraw/zinc/49/98/34/984499834.db2.gz GCNTXLHHLGOHAF-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO N#Cc1cnc(C2=CC[NH2+]C2)c2sccc21 ZINC001243107636 984551830 /nfs/dbraw/zinc/55/18/30/984551830.db2.gz IHEIZSCTWBLZRC-UHFFFAOYSA-N 1 0 227.292 2.155 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C=C(CC)CC ZINC001275385336 984552039 /nfs/dbraw/zinc/55/20/39/984552039.db2.gz IFXYNPLSISKTAR-VXGBXAGGSA-N 1 0 238.375 2.402 20 30 BEEDRO N#CCc1cc2ccccc2nc1C1=CC[NH2+]C1 ZINC001243109270 984560296 /nfs/dbraw/zinc/56/02/96/984560296.db2.gz KZXLHUCVKAIDAY-UHFFFAOYSA-N 1 0 235.290 2.287 20 30 BEEDRO N#Cc1c2ccccc2cnc1C1=CC[NH2+]C1 ZINC001243109898 984567989 /nfs/dbraw/zinc/56/79/89/984567989.db2.gz GQFXVSZIUZKKAT-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1(C)CCCC1 ZINC001275459186 984569541 /nfs/dbraw/zinc/56/95/41/984569541.db2.gz DXPFTFNCPGQTNS-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)CC ZINC001275480191 984571172 /nfs/dbraw/zinc/57/11/72/984571172.db2.gz GNHZFACKAOPYFG-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO N#Cc1cc2[nH]ccc2c(C2=CC[NH2+]C2)c1 ZINC001243111169 984576084 /nfs/dbraw/zinc/57/60/84/984576084.db2.gz NHVZGBCIYYICSG-UHFFFAOYSA-N 1 0 209.252 2.026 20 30 BEEDRO N#Cc1c(C2=CC[NH2+]C2)ccc2ncccc12 ZINC001243112112 984580988 /nfs/dbraw/zinc/58/09/88/984580988.db2.gz SHJQIYQBQWBXKJ-UHFFFAOYSA-N 1 0 221.263 2.093 20 30 BEEDRO N#Cc1c[nH]c2cc(C3=CC[NH2+]C3)ccc12 ZINC001243112503 984581236 /nfs/dbraw/zinc/58/12/36/984581236.db2.gz ZSPGYHWOHZLKNA-UHFFFAOYSA-N 1 0 209.252 2.026 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)CCC ZINC001275520117 984592895 /nfs/dbraw/zinc/59/28/95/984592895.db2.gz DYIASMGWFDKJQH-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C ZINC001275550625 984607392 /nfs/dbraw/zinc/60/73/92/984607392.db2.gz DTYKEHHQWDQSTH-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](CC)[C@@H]1C ZINC001448029844 984806084 /nfs/dbraw/zinc/80/60/84/984806084.db2.gz WWLRFUGDRYDBJY-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C/C=C(/C)C=C ZINC001276180218 984825780 /nfs/dbraw/zinc/82/57/80/984825780.db2.gz VAOKNYDNDZBPTD-JYRVWZFOSA-N 1 0 236.359 2.133 20 30 BEEDRO N#CC1CCC([N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)CC1 ZINC001256963824 984844525 /nfs/dbraw/zinc/84/45/25/984844525.db2.gz MXXOALAXDWPVBS-BPNZPQAUSA-N 1 0 232.327 2.265 20 30 BEEDRO Cc1nc2c(o1)CCN(C1CCC(C#N)CC1)C2 ZINC001256971762 984846888 /nfs/dbraw/zinc/84/68/88/984846888.db2.gz ZWVLYKLMDMKIBW-UHFFFAOYSA-N 1 0 245.326 2.424 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@@H]3OCC[C@H]3C2)CC1 ZINC001256973837 984847516 /nfs/dbraw/zinc/84/75/16/984847516.db2.gz ZKYIGZIUBMYMAF-YIOUJQMASA-N 1 0 234.343 2.180 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CCCC1=O ZINC001256965349 984848427 /nfs/dbraw/zinc/84/84/27/984848427.db2.gz RVHXVFLXYKSQKX-PNESKVBLSA-N 1 0 234.343 2.370 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC001257079452 984852365 /nfs/dbraw/zinc/85/23/65/984852365.db2.gz CMDPIGHOGOYHCR-NQBHXWOUSA-N 1 0 209.333 2.334 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC[C@H](C#N)CC2)CC1 ZINC001257218640 984853374 /nfs/dbraw/zinc/85/33/74/984853374.db2.gz VHIGJSFAZWSXTF-AWEZNQCLSA-N 1 0 249.402 2.485 20 30 BEEDRO CCC[C@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001257308041 984880337 /nfs/dbraw/zinc/88/03/37/984880337.db2.gz DNYNGPJXFXKQMW-QMMMGPOBSA-N 1 0 209.268 2.115 20 30 BEEDRO CCCC[C@H](CC)[NH2+][C@H](C(=O)NO)[C@@H](C)CC ZINC001257417195 984971778 /nfs/dbraw/zinc/97/17/78/984971778.db2.gz ANBHVPFWCPBQLS-SRVKXCTJSA-N 1 0 244.379 2.465 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1ccco1 ZINC000685989327 985028141 /nfs/dbraw/zinc/02/81/41/985028141.db2.gz YABIDBOENPYHCK-GHMZBOCLSA-N 1 0 222.288 2.201 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@@H]1C[N@H+](C)CC1(C)C ZINC001456174581 985123545 /nfs/dbraw/zinc/12/35/45/985123545.db2.gz JQLGCTQTOGACSK-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCC[C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NO ZINC001257509455 985139373 /nfs/dbraw/zinc/13/93/73/985139373.db2.gz RVWKDABOHCWXMK-RYUDHWBXSA-N 1 0 244.379 2.465 20 30 BEEDRO C#CCCCCC[N@@H+]1CCC12CCOCC2 ZINC000686673893 985196281 /nfs/dbraw/zinc/19/62/81/985196281.db2.gz NICHQRCIVSBITI-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#CCCCCC[NH+]1C[C@]2(C)CN(C)C[C@@]2(C)C1 ZINC000686675321 985197379 /nfs/dbraw/zinc/19/73/79/985197379.db2.gz OTPNMCJGKFKVDJ-HOTGVXAUSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@@H]1CCOC1 ZINC000686686159 985204657 /nfs/dbraw/zinc/20/46/57/985204657.db2.gz DNKCKUFYBXWUBF-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C[NH2+][C@@H]1CCN(CCC2(C#N)CCCCC2)C1 ZINC001578607351 985224987 /nfs/dbraw/zinc/22/49/87/985224987.db2.gz ZRMGIQVPRFDRMX-CYBMUJFWSA-N 1 0 235.375 2.144 20 30 BEEDRO Cn1c[nH+]cc1NC1=CC[C@@H](C#N)CC1 ZINC001212856102 985235898 /nfs/dbraw/zinc/23/58/98/985235898.db2.gz IUXRAOSPKKBWHD-SECBINFHSA-N 1 0 202.261 2.040 20 30 BEEDRO Cc1cc(NCC[NH+]2CCCCC2)ncc1C#N ZINC001458101666 985264590 /nfs/dbraw/zinc/26/45/90/985264590.db2.gz YUOCDVPALWKJPB-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC001258044344 985345647 /nfs/dbraw/zinc/34/56/47/985345647.db2.gz LZHIWCWOBCALBX-MJBXVCDLSA-N 1 0 243.391 2.020 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccc(C#N)cc1 ZINC000688045910 985521637 /nfs/dbraw/zinc/52/16/37/985521637.db2.gz SMJIGSVSFYRLEE-SUNKGSAMSA-N 1 0 230.311 2.244 20 30 BEEDRO C#CC[N@@H+](CC)CC1(O)CCCCCC1 ZINC001459607856 985548521 /nfs/dbraw/zinc/54/85/21/985548521.db2.gz GFILCSMUEKPWJE-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688298485 985606176 /nfs/dbraw/zinc/60/61/76/985606176.db2.gz WOSMOKBLYNFFJE-SECBINFHSA-N 1 0 246.148 2.196 20 30 BEEDRO CSCC[C@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001258203154 985612618 /nfs/dbraw/zinc/61/26/18/985612618.db2.gz ATWAPGZTTRESRB-QMMMGPOBSA-N 1 0 241.335 2.068 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1O ZINC001138625883 985637523 /nfs/dbraw/zinc/63/75/23/985637523.db2.gz VVBMTMUUQLOLQL-HNNXBMFYSA-N 1 0 247.338 2.077 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001459875264 985643111 /nfs/dbraw/zinc/64/31/11/985643111.db2.gz RRGDEDYEVMYGPF-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001459875267 985644844 /nfs/dbraw/zinc/64/48/44/985644844.db2.gz RRGDEDYEVMYGPF-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCc1scnc1C ZINC001460031259 985704190 /nfs/dbraw/zinc/70/41/90/985704190.db2.gz RQKPMNSCDIUPAH-SNVBAGLBSA-N 1 0 222.357 2.338 20 30 BEEDRO N#Cc1ccc(-c2[nH+]ccc3c2CCN3)c(N)c1 ZINC001244081519 985797457 /nfs/dbraw/zinc/79/74/57/985797457.db2.gz GSZWWSCMFUAECN-UHFFFAOYSA-N 1 0 236.278 2.170 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc3[nH]ccc3c2)CC1 ZINC001138737306 985805878 /nfs/dbraw/zinc/80/58/78/985805878.db2.gz GPHXVSKBYQVDIC-UHFFFAOYSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@H](F)[C@@H](OC)C1 ZINC001258724584 986058895 /nfs/dbraw/zinc/05/88/95/986058895.db2.gz AIQOXGIEVBEDPE-DCAQKATOSA-N 1 0 201.285 2.010 20 30 BEEDRO C=CCC[C@H](C)n1ncc2c1CC[NH2+]C2 ZINC001258725308 986061857 /nfs/dbraw/zinc/06/18/57/986061857.db2.gz JYQBNWYKNWVWQP-JTQLQIEISA-N 1 0 205.305 2.056 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2(CCO)CC2)CC1 ZINC001461455558 986063944 /nfs/dbraw/zinc/06/39/44/986063944.db2.gz DKUSAAHDTZATBF-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCc2nn(C)cc2C1 ZINC001258731622 986073555 /nfs/dbraw/zinc/07/35/55/986073555.db2.gz CSCMQVROOYMYDJ-NSHDSACASA-N 1 0 219.332 2.133 20 30 BEEDRO Cc1cc(C#N)cc(NC2CC3(C[C@H]3[NH3+])C2)c1 ZINC001579554080 986078043 /nfs/dbraw/zinc/07/80/43/986078043.db2.gz NBGOZDMIJOEBRV-ROKHWSDSSA-N 1 0 227.311 2.158 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001258732902 986081044 /nfs/dbraw/zinc/08/10/44/986081044.db2.gz RVCKPILFVPYBOI-QNSTZXKLSA-N 1 0 221.344 2.450 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CSC1C[NH2+]C1 ZINC001579553763 986083334 /nfs/dbraw/zinc/08/33/34/986083334.db2.gz BBQPLOUULFRHIJ-UHFFFAOYSA-N 1 0 232.352 2.380 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](CC(=O)OCC)C1CC1 ZINC001258733676 986088934 /nfs/dbraw/zinc/08/89/34/986088934.db2.gz LIFMSEZTMQKPRW-NSHDSACASA-N 1 0 225.332 2.369 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC001253571729 986091591 /nfs/dbraw/zinc/09/15/91/986091591.db2.gz JANVZAVAZIVNCA-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC001258734727 986099467 /nfs/dbraw/zinc/09/94/67/986099467.db2.gz IFFIEEYNUKSGSS-QWHCGFSZSA-N 1 0 234.347 2.270 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2)C1 ZINC001253578555 986124841 /nfs/dbraw/zinc/12/48/41/986124841.db2.gz DHNNZGOGOZWOPL-DZGCQCFKSA-N 1 0 247.338 2.077 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C/C=C\c1cccc(F)c1 ZINC001461728702 986127682 /nfs/dbraw/zinc/12/76/82/986127682.db2.gz IFDLNYOZOSVEJV-PKYBCLHXSA-N 1 0 247.313 2.203 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccc(OC)cc1 ZINC001253583338 986147760 /nfs/dbraw/zinc/14/77/60/986147760.db2.gz FQASHMVFIFZKSB-DGCLKSJQSA-N 1 0 235.327 2.235 20 30 BEEDRO Cc1cc(NCC2([NH3+])CCCCC2)ncc1C#N ZINC001579636174 986154645 /nfs/dbraw/zinc/15/46/45/986154645.db2.gz UTMGQBAWNSTAKE-UHFFFAOYSA-N 1 0 244.342 2.335 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1c[nH]c2ccc(C)cc12 ZINC001253585040 986161830 /nfs/dbraw/zinc/16/18/30/986161830.db2.gz SYGNZWLHYIKCLB-ZDUSSCGKSA-N 1 0 244.338 2.455 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC001253584940 986163792 /nfs/dbraw/zinc/16/37/92/986163792.db2.gz SVKRCKCCYVUAQM-DZGCQCFKSA-N 1 0 247.338 2.379 20 30 BEEDRO Cc1ccc(-c2cccc(C[NH3+])n2)cc1C#N ZINC001244482618 986164901 /nfs/dbraw/zinc/16/49/01/986164901.db2.gz RDCDVQVIVUNHAP-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C[NH2+]Cc1cc(-c2ccc(C)c(C#N)c2)ncn1 ZINC001244481806 986169434 /nfs/dbraw/zinc/16/94/34/986169434.db2.gz ILBANLKQQMWAHJ-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccc2[nH]ccc2c1 ZINC001253600148 986233590 /nfs/dbraw/zinc/23/35/90/986233590.db2.gz YBIQPFHADUOSFE-ZWNOBZJWSA-N 1 0 230.311 2.365 20 30 BEEDRO C=C[C@H](O)C[NH2+]C12CC3CC(CC(C3)C1)C2 ZINC001253599872 986234747 /nfs/dbraw/zinc/23/47/47/986234747.db2.gz ADRVXZTXAIDDBD-PRTVBDMESA-N 1 0 221.344 2.092 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1c[nH]c2cc(C)ccc12 ZINC001253601288 986251424 /nfs/dbraw/zinc/25/14/24/986251424.db2.gz ODIBFFLDDNWXPI-ZDUSSCGKSA-N 1 0 244.338 2.155 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)COc1c(C)cccc1C ZINC001253602818 986253704 /nfs/dbraw/zinc/25/37/04/986253704.db2.gz MBSSZYLGVWFGNB-UONOGXRCSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(F)c(F)cc1Cl ZINC001253602431 986255158 /nfs/dbraw/zinc/25/51/58/986255158.db2.gz IGESKAHGYVGUEW-MRVPVSSYSA-N 1 0 247.672 2.255 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC001253603558 986257447 /nfs/dbraw/zinc/25/74/47/986257447.db2.gz YCYYLQJOGQIZIX-ZOBORPQBSA-N 1 0 223.360 2.482 20 30 BEEDRO CC#CCC[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC001462022209 986264528 /nfs/dbraw/zinc/26/45/28/986264528.db2.gz DODYSMLWERVMBQ-LBPRGKRZSA-N 1 0 232.327 2.024 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC001253607187 986265310 /nfs/dbraw/zinc/26/53/10/986265310.db2.gz SHQRMGAVNYOKST-OCCSQVGLSA-N 1 0 235.302 2.340 20 30 BEEDRO CC#CCC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001462024094 986265383 /nfs/dbraw/zinc/26/53/83/986265383.db2.gz SIKWYBZEMXSTCN-UHFFFAOYSA-N 1 0 233.311 2.212 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)CC1CCCCC1 ZINC001253609816 986278413 /nfs/dbraw/zinc/27/84/13/986278413.db2.gz YRHALZPZDPCWEX-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](CC)[C@H]2C)nn1 ZINC001462122962 986284847 /nfs/dbraw/zinc/28/48/47/986284847.db2.gz GSOJQEDHYSCBAE-OLZOCXBDSA-N 1 0 248.374 2.475 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1F ZINC001253610821 986284978 /nfs/dbraw/zinc/28/49/78/986284978.db2.gz XNGGOHLIRREAPZ-WPRPVWTQSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC001253612509 986287257 /nfs/dbraw/zinc/28/72/57/986287257.db2.gz ZPAYIYMOAGVPKH-PRHODGIISA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1cccc(F)c1OC ZINC001253611651 986287328 /nfs/dbraw/zinc/28/73/28/986287328.db2.gz SEKGPZIYRWSRGZ-UWVGGRQHSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC001253611682 986290271 /nfs/dbraw/zinc/29/02/71/986290271.db2.gz SLXVEFZQPFEERB-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO CN1CCC[C@H]([NH2+]CC2CCC(C#N)CC2)C1 ZINC001462133693 986290025 /nfs/dbraw/zinc/29/00/25/986290025.db2.gz BBFSMMSXGSTKGK-RUXDESIVSA-N 1 0 235.375 2.000 20 30 BEEDRO COc1ccc(-c2ccnc(C[NH3+])c2)cc1C#N ZINC001244709728 986317811 /nfs/dbraw/zinc/31/78/11/986317811.db2.gz DXVFTQMVEJJLQJ-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc2c1OCCO2 ZINC000384164130 986322691 /nfs/dbraw/zinc/32/26/91/986322691.db2.gz KUQRXNSIRPNUCO-OAHLLOKOSA-N 1 0 245.322 2.349 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc2c1OCCO2 ZINC000384164129 986322934 /nfs/dbraw/zinc/32/29/34/986322934.db2.gz KUQRXNSIRPNUCO-HNNXBMFYSA-N 1 0 245.322 2.349 20 30 BEEDRO CC(C)(C)[C@H](O)C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001253728875 986342786 /nfs/dbraw/zinc/34/27/86/986342786.db2.gz RMKTWVMJTYRTTI-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001462390152 986372532 /nfs/dbraw/zinc/37/25/32/986372532.db2.gz YXUKBBDJNPQNEZ-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@@H](CO)[NH2+][C@H](C)CCC1CCCCC1 ZINC001462468526 986399649 /nfs/dbraw/zinc/39/96/49/986399649.db2.gz PBUPDYCIUCDYSB-OCCSQVGLSA-N 1 0 223.360 2.319 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cccc(C#N)n2)c1F ZINC001244855461 986401321 /nfs/dbraw/zinc/40/13/21/986401321.db2.gz FKYNENJBZJVUBU-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(C)cc1 ZINC001462550345 986424337 /nfs/dbraw/zinc/42/43/37/986424337.db2.gz YARRAFVDCVMFJD-GOEBONIOSA-N 1 0 245.366 2.290 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC001462022041 986437610 /nfs/dbraw/zinc/43/76/10/986437610.db2.gz ADBGPSMJPOQIKU-UHFFFAOYSA-N 1 0 245.322 2.285 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001462664345 986494815 /nfs/dbraw/zinc/49/48/15/986494815.db2.gz GVMPFMGKCVFDMR-BZUAXINKSA-N 1 0 248.414 2.500 20 30 BEEDRO CCc1cc(-c2cc(C[NH3+])ncn2)ccc1C#N ZINC001244950643 986504337 /nfs/dbraw/zinc/50/43/37/986504337.db2.gz MAUXPJRPBVIMEF-UHFFFAOYSA-N 1 0 238.294 2.036 20 30 BEEDRO CCc1cc(-c2cnc(C[NH3+])nc2)ccc1C#N ZINC001244951985 986510057 /nfs/dbraw/zinc/51/00/57/986510057.db2.gz HQAZQDXUTHLUGU-UHFFFAOYSA-N 1 0 238.294 2.036 20 30 BEEDRO N#CC12CCC([NH2+][C@@H]3CCCOC3)(CC1)CC2 ZINC001254366989 986591011 /nfs/dbraw/zinc/59/10/11/986591011.db2.gz YWMKYCJAXJVMFQ-IYXRBSQSSA-N 1 0 234.343 2.372 20 30 BEEDRO CCC(CC)[N@H+](CCOC)CCO[C@@H](C)C#N ZINC000379740689 986675976 /nfs/dbraw/zinc/67/59/76/986675976.db2.gz KSKCFJIHTQETJU-LBPRGKRZSA-N 1 0 242.363 2.052 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CC)CC1 ZINC001465070024 986688337 /nfs/dbraw/zinc/68/83/37/986688337.db2.gz LMXLGFPRMVJZCH-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO N#C[C@H]1CC[C@H](n2ncc3c2cccc3C[NH3+])C1 ZINC001254641643 986690986 /nfs/dbraw/zinc/69/09/86/986690986.db2.gz CMZWMTORCKDUIW-JQWIXIFHSA-N 1 0 240.310 2.360 20 30 BEEDRO CCCc1cc(C[NH3+])nn1[C@@H]1CC[C@@H](C#N)C1 ZINC001254646288 986698039 /nfs/dbraw/zinc/69/80/39/986698039.db2.gz MDQGJZYRQMOTRD-ZWNOBZJWSA-N 1 0 232.331 2.159 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2COc3ccccc3C2)C1 ZINC001254646037 986698856 /nfs/dbraw/zinc/69/88/56/986698856.db2.gz JGIUDAJBCAPZAQ-YUTCNCBUSA-N 1 0 242.322 2.272 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@@H]3CCO)CC2)C1 ZINC001254659452 986703320 /nfs/dbraw/zinc/70/33/20/986703320.db2.gz AHYLGMZFVAMLBN-HZSPNIEDSA-N 1 0 248.370 2.163 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1ccno1 ZINC001254653822 986705161 /nfs/dbraw/zinc/70/51/61/986705161.db2.gz QEXVPRBTPKYOHK-AEJSXWLSSA-N 1 0 205.261 2.017 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CC[C@]1(C)O ZINC001254661738 986716848 /nfs/dbraw/zinc/71/68/48/986716848.db2.gz XKIIWXRVIJCRDO-SYQHCUMBSA-N 1 0 236.359 2.162 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1[C@@H]1CC[C@@H](C#N)C1 ZINC001254668595 986718418 /nfs/dbraw/zinc/71/84/18/986718418.db2.gz GWPZZNYMIPTYAA-UPJWGTAASA-N 1 0 222.332 2.035 20 30 BEEDRO CCCC[NH+]1CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC001254669270 986718841 /nfs/dbraw/zinc/71/88/41/986718841.db2.gz QAUTUMWVNQBQHG-UONOGXRCSA-N 1 0 235.375 2.096 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](COCC3CC3)C2)C1 ZINC001254674151 986721195 /nfs/dbraw/zinc/72/11/95/986721195.db2.gz UTKSADONFBJCRO-QLFBSQMISA-N 1 0 248.370 2.427 20 30 BEEDRO CC(C)[N@@H+]1CCN([C@H]2CC[C@H](C#N)C2)C[C@@H]1C ZINC001254674865 986727490 /nfs/dbraw/zinc/72/74/90/986727490.db2.gz ABQFZNKKCQCWAG-IHRRRGAJSA-N 1 0 235.375 2.093 20 30 BEEDRO CC[C@@H](CC#N)Nc1cccc(F)c1C[NH3+] ZINC001255153526 986825802 /nfs/dbraw/zinc/82/58/02/986825802.db2.gz YSGHLFXUBZZRGI-VIFPVBQESA-N 1 0 221.279 2.389 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1CCC2(COC2)CC1 ZINC001255156950 986828973 /nfs/dbraw/zinc/82/89/73/986828973.db2.gz UVGWUPRPZZPFLH-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001255160486 986832080 /nfs/dbraw/zinc/83/20/80/986832080.db2.gz KQZQWMKVSVIAEP-KGLIPLIRSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](CO)Cc1ccccc1C ZINC001255159427 986832289 /nfs/dbraw/zinc/83/22/89/986832289.db2.gz WFTOPULVEUUKIA-GJZGRUSLSA-N 1 0 246.354 2.180 20 30 BEEDRO CC[C@H](CC#N)NC(=[NH2+])c1cccnc1Cl ZINC001255159446 986832597 /nfs/dbraw/zinc/83/25/97/986832597.db2.gz WGWSSTDSYRJMRE-MRVPVSSYSA-N 1 0 236.706 2.342 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC2(C[C@@H]2CCO)CC1 ZINC001255167180 986843674 /nfs/dbraw/zinc/84/36/74/986843674.db2.gz VPJQKGSMFPXCKY-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC2(CCCO2)CC1 ZINC001255173610 986867377 /nfs/dbraw/zinc/86/73/77/986867377.db2.gz MWEOGYJHRPWPDY-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO CC[C@H](CC#N)n1ccnc1[C@H]1CCC[NH2+]C1 ZINC001255173733 986868069 /nfs/dbraw/zinc/86/80/69/986868069.db2.gz DELXQPVSHYPKMZ-NWDGAFQWSA-N 1 0 232.331 2.215 20 30 BEEDRO CN1CC[C@@H]([NH2+]C(C)(C)c2ccc(C#N)cc2)C1 ZINC001255413376 986940670 /nfs/dbraw/zinc/94/06/70/986940670.db2.gz ZBYUOHYCYBQNPL-CQSZACIVSA-N 1 0 243.354 2.087 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000696088769 986964332 /nfs/dbraw/zinc/96/43/32/986964332.db2.gz CGKXJLIGDCPQHW-GRYCIOLGSA-N 1 0 229.389 2.309 20 30 BEEDRO N#CCc1ccnc(-c2ccc3c[nH+]cn3c2)c1 ZINC001245894897 987107945 /nfs/dbraw/zinc/10/79/45/987107945.db2.gz NBHUMCRZTCIDBE-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO CCc1nc(C#N)cc(-c2ccc3c[nH+]cn3c2)n1 ZINC001245898776 987129963 /nfs/dbraw/zinc/12/99/63/987129963.db2.gz WYTNEYKIRPBITM-UHFFFAOYSA-N 1 0 249.277 2.225 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C[C@H]1C=CCC1 ZINC001491387318 987143399 /nfs/dbraw/zinc/14/33/99/987143399.db2.gz DPWVGHAQQWTSPK-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001491387315 987144096 /nfs/dbraw/zinc/14/40/96/987144096.db2.gz DPWVGHAQQWTSPK-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001491404245 987148876 /nfs/dbraw/zinc/14/88/76/987148876.db2.gz RTYRTTSPXNBZNE-SEVUFMINSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]C[C@H](F)CC ZINC001491547948 987222917 /nfs/dbraw/zinc/22/29/17/987222917.db2.gz MXMHCBNNBUDUID-WDEREUQCSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](C)[C@H](CCNC(C)=O)C1 ZINC001102628823 987227021 /nfs/dbraw/zinc/22/70/21/987227021.db2.gz LMBAINAYCPGXRP-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCCCCC[C@H](O)CNC1(C)C[NH2+]C1 ZINC001245981609 987255401 /nfs/dbraw/zinc/25/54/01/987255401.db2.gz PZHGVQPNEUZERR-ZDUSSCGKSA-N 1 0 242.407 2.049 20 30 BEEDRO CCCCCCCC[C@@H](O)CNCC[NH2+]CC ZINC001245994992 987279857 /nfs/dbraw/zinc/27/98/57/987279857.db2.gz QRQWGNAJXJPLMR-CQSZACIVSA-N 1 0 244.423 2.297 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+][C@H](CC)CN ZINC001246000613 987288243 /nfs/dbraw/zinc/28/82/43/987288243.db2.gz LPCGXAMDBLQODF-ZIAGYGMSSA-N 1 0 244.423 2.425 20 30 BEEDRO C=C(C)CC[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001472931896 987304856 /nfs/dbraw/zinc/30/48/56/987304856.db2.gz BUAYABBIBHTADQ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO N#Cc1ccccc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697051744 987346241 /nfs/dbraw/zinc/34/62/41/987346241.db2.gz KGONLYHJCSGSTA-GFCCVEGCSA-N 1 0 230.311 2.327 20 30 BEEDRO CCCCCCCC[C@@H](O)CN1CC[C@@H]([NH3+])C1 ZINC001246070913 987355717 /nfs/dbraw/zinc/35/57/17/987355717.db2.gz OVKGSXSRDBZCMU-ZIAGYGMSSA-N 1 0 242.407 2.131 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC001473170297 987358462 /nfs/dbraw/zinc/35/84/62/987358462.db2.gz HPXNOXLOLOBJJV-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCCCC[NH+]1CC(O)(C(C)C)C1 ZINC001473441442 987437320 /nfs/dbraw/zinc/43/73/20/987437320.db2.gz RLDGCTZSPLATIE-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CCC ZINC001116086027 987440161 /nfs/dbraw/zinc/44/01/61/987440161.db2.gz ZKJDZADVJVCEAW-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C1C[C@@H]2CC(N[C@H]3C[NH2+]C[C@H]3F)C[C@H](C1)C2 ZINC001246129304 987475213 /nfs/dbraw/zinc/47/52/13/987475213.db2.gz VLWTWXLDZLWFOY-YJBUHQLJSA-N 1 0 238.350 2.021 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CCC(=O)OCC ZINC001473556681 987481402 /nfs/dbraw/zinc/48/14/02/987481402.db2.gz ULFXINYSNXDBRC-UHFFFAOYSA-N 1 0 239.359 2.455 20 30 BEEDRO C=CC[C@H](C)[N@H+]1Cc2c[nH]nc2C[C@@H](C)C1 ZINC001473797039 987562719 /nfs/dbraw/zinc/56/27/19/987562719.db2.gz MWEQRTVZASPKEL-MNOVXSKESA-N 1 0 219.332 2.369 20 30 BEEDRO C#CC[N@@H+](CCc1csc(C)n1)CC1CC1 ZINC001116436571 987569616 /nfs/dbraw/zinc/56/96/16/987569616.db2.gz VZGBXLSFJSVHAM-UHFFFAOYSA-N 1 0 234.368 2.339 20 30 BEEDRO C=CCC[NH2+][C@@H](CO)c1cc(F)ccc1F ZINC001473884485 987604287 /nfs/dbraw/zinc/60/42/87/987604287.db2.gz JUAGCBYSXBURME-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO CCCCCCC[C@H](CC)N[C@@H]1C[NH2+]C[C@@H]1N ZINC001246209127 987606236 /nfs/dbraw/zinc/60/62/36/987606236.db2.gz FJGDIEGTGSUCDV-MELADBBJSA-N 1 0 241.423 2.014 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC001474005972 987629919 /nfs/dbraw/zinc/62/99/19/987629919.db2.gz ISTHNGXXXFRVJC-SNVBAGLBSA-N 1 0 230.315 2.023 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc2c(c1)nnn2C ZINC001474005970 987630108 /nfs/dbraw/zinc/63/01/08/987630108.db2.gz ISTHNGXXXFRVJC-JTQLQIEISA-N 1 0 230.315 2.023 20 30 BEEDRO C[C@@H](O)CCC[NH2+]C1CCC(C)(C#N)CC1 ZINC001474127879 987646405 /nfs/dbraw/zinc/64/64/05/987646405.db2.gz HSXHXJPQMINGQW-PNESKVBLSA-N 1 0 224.348 2.209 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC001116620168 987647755 /nfs/dbraw/zinc/64/77/55/987647755.db2.gz GEYSBGSNXBNWRU-CMPLNLGQSA-N 1 0 249.310 2.267 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC001116644067 987657130 /nfs/dbraw/zinc/65/71/30/987657130.db2.gz WUNFYFPPHYPDAK-FRRDWIJNSA-N 1 0 239.359 2.125 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccn(CC)n2)CC1 ZINC001474255229 987671864 /nfs/dbraw/zinc/67/18/64/987671864.db2.gz DBQQCHAHIRYTSK-JOCQHMNTSA-N 1 0 231.343 2.185 20 30 BEEDRO COC(=O)c1ccc(C(=[NH2+])NC2CCCC2)cc1 ZINC001246305961 987705586 /nfs/dbraw/zinc/70/55/86/987705586.db2.gz QXGNQIKMKYOFDV-UHFFFAOYSA-N 1 0 246.310 2.121 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C(=O)OC)cc1F ZINC001474408630 987717420 /nfs/dbraw/zinc/71/74/20/987717420.db2.gz UUGDGHDSWLMMQH-UHFFFAOYSA-N 1 0 249.285 2.115 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1c(C)cc(OC)cc1O ZINC001474420666 987719133 /nfs/dbraw/zinc/71/91/33/987719133.db2.gz ZXFVHUUEAAMNFY-LLVKDONJSA-N 1 0 248.326 2.491 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001474478744 987722871 /nfs/dbraw/zinc/72/28/71/987722871.db2.gz BPUQIXLWGHXVGT-IJLUTSLNSA-N 1 0 227.348 2.471 20 30 BEEDRO CO[C@H](C)C[NH2+][C@@H]1CCc2cc(C#N)ccc21 ZINC001474495796 987741076 /nfs/dbraw/zinc/74/10/76/987741076.db2.gz CAOCDACHFCKBLI-QMTHXVAHSA-N 1 0 230.311 2.170 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001246334887 987742744 /nfs/dbraw/zinc/74/27/44/987742744.db2.gz FTTCCOGWIRDHJX-CMPLNLGQSA-N 1 0 222.307 2.414 20 30 BEEDRO C=CCN(CCC#N)CC1CC[NH+](CC)CC1 ZINC001474544871 987754782 /nfs/dbraw/zinc/75/47/82/987754782.db2.gz VYFGJIOJXIZTBY-UHFFFAOYSA-N 1 0 235.375 2.120 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CCC[C@H]23)C1 ZINC001474592375 987770724 /nfs/dbraw/zinc/77/07/24/987770724.db2.gz YQWFYUSDFZKRDJ-IEECTRCBSA-N 1 0 204.317 2.457 20 30 BEEDRO CCCCCCC[C@@H](CC)[NH2+]CCNCCO ZINC001246380235 987774192 /nfs/dbraw/zinc/77/41/92/987774192.db2.gz UOFDNCJVTZHPLE-CQSZACIVSA-N 1 0 244.423 2.297 20 30 BEEDRO C[C@@H](CC1CC1)[NH2+]CC1(C#N)CCOCC1 ZINC001474747996 987815338 /nfs/dbraw/zinc/81/53/38/987815338.db2.gz LVNLPXIYOGQEFI-NSHDSACASA-N 1 0 222.332 2.085 20 30 BEEDRO CCC(CC)[NH2+]CC1(C#N)CCOCC1 ZINC001474747514 987815907 /nfs/dbraw/zinc/81/59/07/987815907.db2.gz GHUKREYSUYKPIL-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3C[C@H]([NH2+]C)C3)C[C@H](C1)C2 ZINC001246463860 987823791 /nfs/dbraw/zinc/82/37/91/987823791.db2.gz XNMVKCRWBIEEMD-SISPYFCUSA-N 1 0 234.387 2.461 20 30 BEEDRO C=C1C[C@@H]2CC([NH+]3CCNCC3)C[C@H](C1)C2 ZINC001246531483 987887021 /nfs/dbraw/zinc/88/70/21/987887021.db2.gz SQQAYUBJBKCZJR-PBWFPOADSA-N 1 0 220.360 2.027 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc2cccnc2o1 ZINC001117744842 987887602 /nfs/dbraw/zinc/88/76/02/987887602.db2.gz YOYHZQDTUYUREX-LLVKDONJSA-N 1 0 232.283 2.118 20 30 BEEDRO C=C(Cl)C[NH2+]CCCCCCN(C)C(C)=O ZINC001479626697 987902896 /nfs/dbraw/zinc/90/28/96/987902896.db2.gz KCSAVRYVKNSSHA-UHFFFAOYSA-N 1 0 246.782 2.367 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC)C1 ZINC001479471509 987904266 /nfs/dbraw/zinc/90/42/66/987904266.db2.gz REDKITMCNDBEMV-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@H+](CC)CCCNC(=O)C1CCC1 ZINC001479829668 987913444 /nfs/dbraw/zinc/91/34/44/987913444.db2.gz CAPOKFAZRQPBRO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)CC)C1 ZINC001479902693 987922507 /nfs/dbraw/zinc/92/25/07/987922507.db2.gz XNJOEMZYMSVXDK-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](CCCNC(=O)CC(C)C)C1CC1 ZINC001479862519 987925502 /nfs/dbraw/zinc/92/55/02/987925502.db2.gz CYJCCEQKKXVMQT-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(CC)CC)C1 ZINC001479946688 987931724 /nfs/dbraw/zinc/93/17/24/987931724.db2.gz YDRJFGHBKHWQHK-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001479964987 987935120 /nfs/dbraw/zinc/93/51/20/987935120.db2.gz HEDBAKDCGOQGDR-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)=C(C)C)C1 ZINC001480115158 987947347 /nfs/dbraw/zinc/94/73/47/987947347.db2.gz YQHPKUNOSYBFIG-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC001480168245 987949789 /nfs/dbraw/zinc/94/97/89/987949789.db2.gz BDYAFSJYFQXZGD-HAQNSBGRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(=C)C)C1 ZINC001480196149 987956953 /nfs/dbraw/zinc/95/69/53/987956953.db2.gz RHQCPBTWYPCYCW-BETUJISGSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC=C ZINC001480312566 987962280 /nfs/dbraw/zinc/96/22/80/987962280.db2.gz NDZMLAIWIGGIOE-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C1CCCC1 ZINC001480416411 987970614 /nfs/dbraw/zinc/97/06/14/987970614.db2.gz SXAJHIXGVSZNHZ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)CCC(C)C ZINC001480421709 987971274 /nfs/dbraw/zinc/97/12/74/987971274.db2.gz PEJILKANBSAXGE-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO CCCCCCC[C@@H](CC)[N@@H+]1C[C@@H](N)[C@H](O)C1 ZINC001246559194 987982582 /nfs/dbraw/zinc/98/25/82/987982582.db2.gz SKLMTLCGGDMDHU-MGPQQGTHSA-N 1 0 242.407 2.129 20 30 BEEDRO C=CCCCC(=O)NC[C@@H](C)[NH2+]C/C=C/Cl ZINC001480526344 987994770 /nfs/dbraw/zinc/99/47/70/987994770.db2.gz DCWFETSEXMKNBQ-LXSSAFMLSA-N 1 0 244.766 2.190 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[NH2+]CCCC ZINC001480531642 988004897 /nfs/dbraw/zinc/00/48/97/988004897.db2.gz FDAZZVIRYLHHMT-JSGCOSHPSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)C(C)(CC)CC ZINC001480594156 988009337 /nfs/dbraw/zinc/00/93/37/988009337.db2.gz FPRNIOIBANUQBR-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C/C=C(/C)C=C)C1 ZINC001480618851 988016281 /nfs/dbraw/zinc/01/62/81/988016281.db2.gz CDXXEERYYFKTDN-LVOZBFFPSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC001480630833 988017351 /nfs/dbraw/zinc/01/73/51/988017351.db2.gz WCPYNCZDJBFEBE-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CCC)C1 ZINC001480689778 988020902 /nfs/dbraw/zinc/02/09/02/988020902.db2.gz SLXJUECEDUMDJO-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)CCNC(=O)C(F)F ZINC001480744180 988025892 /nfs/dbraw/zinc/02/58/92/988025892.db2.gz HDYGKSLGFLZVPB-NXEZZACHSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C(C)C ZINC001480817439 988033811 /nfs/dbraw/zinc/03/38/11/988033811.db2.gz MWJQEJIKKJUACA-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H]1CCCNC(=O)CC ZINC001480816125 988034031 /nfs/dbraw/zinc/03/40/31/988034031.db2.gz SBEDTPBPVYOXKN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)CCC ZINC001480814613 988039034 /nfs/dbraw/zinc/03/90/34/988039034.db2.gz HDYFLNUYNQDUDD-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[N@H+](CC)CCNC(=O)[C@@H](C)C(C)C ZINC001493028287 988058391 /nfs/dbraw/zinc/05/83/91/988058391.db2.gz BYMHYLGELZUFIJ-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]CCC ZINC001321957183 988067182 /nfs/dbraw/zinc/06/71/82/988067182.db2.gz RQAKPFBJKNLVBM-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(Cl)C[NH2+]CCN(C)C(=O)C(CC)CC ZINC001493482856 988085923 /nfs/dbraw/zinc/08/59/23/988085923.db2.gz QOJACBOLUZWQPI-UHFFFAOYSA-N 1 0 246.782 2.223 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C=C(C)C ZINC001493469042 988092823 /nfs/dbraw/zinc/09/28/23/988092823.db2.gz UQJNYUSLNQMCQG-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)CCC(=O)N(C)CC[NH2+]CCC1CC1 ZINC001493560220 988099798 /nfs/dbraw/zinc/09/97/98/988099798.db2.gz PJPZADDSVCJOPY-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)C ZINC001493769816 988114153 /nfs/dbraw/zinc/11/41/53/988114153.db2.gz SGOCOJZLHYJFDY-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC)C1 ZINC001494304685 988126895 /nfs/dbraw/zinc/12/68/95/988126895.db2.gz CDPLYFGRXGWISF-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)NC1C[NH+]([C@@H](C)CCC=C)C1 ZINC001494354894 988137789 /nfs/dbraw/zinc/13/77/89/988137789.db2.gz JPWSXOXANJHTRT-LBPRGKRZSA-N 1 0 236.359 2.108 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001322140654 988141884 /nfs/dbraw/zinc/14/18/84/988141884.db2.gz MQCSXGQGIIWJGJ-SNVBAGLBSA-N 1 0 221.275 2.288 20 30 BEEDRO CCCCCCC[NH+]1CC(CNC(=O)CC)C1 ZINC001494516368 988151443 /nfs/dbraw/zinc/15/14/43/988151443.db2.gz DCIYJLCTKSRZKN-UHFFFAOYSA-N 1 0 240.391 2.415 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001246589637 988167875 /nfs/dbraw/zinc/16/78/75/988167875.db2.gz SYAFKILCHHESGQ-SDDRHHMPSA-N 1 0 214.328 2.102 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC(C)C)C1 ZINC001494747506 988180222 /nfs/dbraw/zinc/18/02/22/988180222.db2.gz STFJLYAHOUCVNH-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)[C@H]1CC[N@H+](CC)C1 ZINC001494841153 988188714 /nfs/dbraw/zinc/18/87/14/988188714.db2.gz FTUKEMPBPGAMIE-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CCCC)C1 ZINC001494810386 988193437 /nfs/dbraw/zinc/19/34/37/988193437.db2.gz SWLUDJWIXFDXJY-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)[C@H](C)CCC ZINC001494953634 988205953 /nfs/dbraw/zinc/20/59/53/988205953.db2.gz MASIARVXPSIPTI-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H](C)CCC ZINC001494953633 988206048 /nfs/dbraw/zinc/20/60/48/988206048.db2.gz MASIARVXPSIPTI-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)C1=CCCC1 ZINC001494972660 988207069 /nfs/dbraw/zinc/20/70/69/988207069.db2.gz YCQRHIRTPFAAQW-ZDUSSCGKSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)C1=CCCC1 ZINC001494972658 988207216 /nfs/dbraw/zinc/20/72/16/988207216.db2.gz YCQRHIRTPFAAQW-CYBMUJFWSA-N 1 0 236.359 2.157 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1CCNC[C@@H](O)C1 ZINC001246605308 988217454 /nfs/dbraw/zinc/21/74/54/988217454.db2.gz WOHCHVZZLDSZFJ-UONOGXRCSA-N 1 0 242.407 2.002 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)CNC(=O)/C(C)=C\CC ZINC001495630949 988238472 /nfs/dbraw/zinc/23/84/72/988238472.db2.gz VZZYBGKUAJNHLR-OEMOTLHWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1C[C@H]1C ZINC001322395444 988239933 /nfs/dbraw/zinc/23/99/33/988239933.db2.gz OQVQHFWNKKLQON-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C1(C)CC1 ZINC001495672485 988243870 /nfs/dbraw/zinc/24/38/70/988243870.db2.gz WMPNDKBREVQBPV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C1(C)CC1 ZINC001495672486 988245621 /nfs/dbraw/zinc/24/56/21/988245621.db2.gz WMPNDKBREVQBPV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO COCCCO[NH+]=C1CCN(C)c2ccccc21 ZINC001322414848 988255138 /nfs/dbraw/zinc/25/51/38/988255138.db2.gz HVFJNIQOLGIIEG-UHFFFAOYSA-N 1 0 248.326 2.284 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)c2ccoc2)CCCC1 ZINC001495892050 988260103 /nfs/dbraw/zinc/26/01/03/988260103.db2.gz LMZGEMZWBHZQKP-UHFFFAOYSA-N 1 0 248.326 2.098 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)C ZINC001496210739 988289953 /nfs/dbraw/zinc/28/99/53/988289953.db2.gz RUVANILWZJKTOH-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)N(C)C(=O)C/C=C(\C)C=C ZINC001496142951 988291590 /nfs/dbraw/zinc/29/15/90/988291590.db2.gz XCDVZWWLXKQTJA-YQCJOKCJSA-N 1 0 236.359 2.131 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C[C@@H](C)CC ZINC001322482835 988292160 /nfs/dbraw/zinc/29/21/60/988292160.db2.gz KEQKEBNYNZCSRS-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH2+]CCCN(C)C(=O)C[C@H](C)CC ZINC001322482833 988296826 /nfs/dbraw/zinc/29/68/26/988296826.db2.gz KEQKEBNYNZCSRS-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H]([NH2+]CC)C(C)C ZINC001496558104 988302438 /nfs/dbraw/zinc/30/24/38/988302438.db2.gz PFBFIJCUNTZDGS-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001496558103 988303361 /nfs/dbraw/zinc/30/33/61/988303361.db2.gz PFBFIJCUNTZDGS-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+][C@H](CNC(=O)CC(C)C)C(C)C ZINC001496524103 988306192 /nfs/dbraw/zinc/30/61/92/988306192.db2.gz YCLKHBSIQQKCHR-CYBMUJFWSA-N 1 0 240.391 2.339 20 30 BEEDRO CNC(NC[C@@H]1C[C@H](C)CC[C@H]1C(C)C)=[NH+]C ZINC001118410910 988321042 /nfs/dbraw/zinc/32/10/42/988321042.db2.gz ONPLPTRUVUWQCU-AGIUHOORSA-N 1 0 239.407 2.490 20 30 BEEDRO CNC(NC[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)=[NH+]C ZINC001118410911 988323811 /nfs/dbraw/zinc/32/38/11/988323811.db2.gz ONPLPTRUVUWQCU-FRRDWIJNSA-N 1 0 239.407 2.490 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)c1ccc[nH]1 ZINC001497140134 988356073 /nfs/dbraw/zinc/35/60/73/988356073.db2.gz DZBZZZCYPHIZAZ-LBPRGKRZSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC1(C)C ZINC001497253248 988369715 /nfs/dbraw/zinc/36/97/15/988369715.db2.gz QKVBJDLPCUOROT-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)[C@H](C)C(C)C ZINC001322723549 988370192 /nfs/dbraw/zinc/37/01/92/988370192.db2.gz LRMPHGVHZMPQCR-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C/C(C)=C/CC(=O)NC/C=C/C[NH2+]CC(=C)C ZINC001497649362 988405206 /nfs/dbraw/zinc/40/52/06/988405206.db2.gz DOSRUDMQOGFBBO-MDVYSFJGSA-N 1 0 248.370 2.347 20 30 BEEDRO C#CC[N@@H+](CCCOC(C)C)CC1CC1 ZINC001322949369 988411405 /nfs/dbraw/zinc/41/14/05/988411405.db2.gz ZSTDPQLALBCWOK-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](CNc2cccnc2C#N)C1 ZINC001118517406 988414046 /nfs/dbraw/zinc/41/40/46/988414046.db2.gz WLGSBDGGGREWBG-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1C=CCC1 ZINC001497784699 988414862 /nfs/dbraw/zinc/41/48/62/988414862.db2.gz IZCZKZBMNQGSDH-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[C@H](C)CCC ZINC001497794876 988419845 /nfs/dbraw/zinc/41/98/45/988419845.db2.gz SKNUMPCOQISVKJ-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001497883595 988428544 /nfs/dbraw/zinc/42/85/44/988428544.db2.gz KMEPWOKPPZLMCK-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)/C=C\C(C)(C)C ZINC001498022903 988435270 /nfs/dbraw/zinc/43/52/70/988435270.db2.gz AOWRFUZJVKGVSG-KRZKBDHCSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)c1ccccc1 ZINC001498004267 988440164 /nfs/dbraw/zinc/44/01/64/988440164.db2.gz XARBPXLXZCUNJV-ZDUSSCGKSA-N 1 0 246.354 2.361 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H](C)CC ZINC001498013729 988444578 /nfs/dbraw/zinc/44/45/78/988444578.db2.gz KATHTTLXRWZQKY-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H](C)C1CC1 ZINC001498027771 988448842 /nfs/dbraw/zinc/44/88/42/988448842.db2.gz NAEBNMWDGUUJCT-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CC(C)C ZINC001323177307 988461948 /nfs/dbraw/zinc/46/19/48/988461948.db2.gz JKGOSPCTRPRXSG-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CC(C)C ZINC001323177308 988464862 /nfs/dbraw/zinc/46/48/62/988464862.db2.gz JKGOSPCTRPRXSG-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[N@H+](C)CCCF ZINC001498292848 988478817 /nfs/dbraw/zinc/47/88/17/988478817.db2.gz HCNAHEVTHBXSJM-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C[NH2+]CC)C1CC1 ZINC001498803439 988504435 /nfs/dbraw/zinc/50/44/35/988504435.db2.gz QVZYADFUOWHFSC-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)C/C=C(\C)C=C)C1 ZINC001499731734 988555921 /nfs/dbraw/zinc/55/59/21/988555921.db2.gz HMZIFMCIHXYRNX-MDWZMJQESA-N 1 0 248.370 2.228 20 30 BEEDRO C=CCC[C@H](C)N(CC)[C@H]1CCC[NH2+]C1 ZINC001246853216 988574759 /nfs/dbraw/zinc/57/47/59/988574759.db2.gz IPFGUZKMMIMUJQ-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC=C ZINC001501377688 988602124 /nfs/dbraw/zinc/60/21/24/988602124.db2.gz IXGZQESMYSZXBH-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[NH2+]C1(C)CCN(C(=O)C2=CCCC2)CC1 ZINC001502773909 988648552 /nfs/dbraw/zinc/64/85/52/988648552.db2.gz QIVPCWMQDHITIA-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cccc(CC#N)n1 ZINC001323960086 988659562 /nfs/dbraw/zinc/65/95/62/988659562.db2.gz DVNFPUABJWKDEX-LBPRGKRZSA-N 1 0 246.358 2.288 20 30 BEEDRO C=C/C(C)=C\CC(=O)NCC[C@H](C)[NH2+]CC#CC ZINC001503421959 988660605 /nfs/dbraw/zinc/66/06/05/988660605.db2.gz PRKHJVRMHIJQGP-MQJVFOOVSA-N 1 0 248.370 2.017 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC ZINC001505421326 988683154 /nfs/dbraw/zinc/68/31/54/988683154.db2.gz UFJADWXVRNOPER-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)C ZINC001505563085 988693205 /nfs/dbraw/zinc/69/32/05/988693205.db2.gz WIKDVRPEMPHAHK-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C=C(C)C ZINC001324112963 988708497 /nfs/dbraw/zinc/70/84/97/988708497.db2.gz KHEABWIIYJZVPA-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)C(CC)CC ZINC001505874369 988731336 /nfs/dbraw/zinc/73/13/36/988731336.db2.gz RCNOSVRXUAGOGK-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)c1ccc[nH]1 ZINC001505866889 988732106 /nfs/dbraw/zinc/73/21/06/988732106.db2.gz UVMNLSUEJBRLEJ-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=C(Cl)CN(C)[C@@H](C)CNC(=O)C(C)(C)C ZINC001506045401 988758572 /nfs/dbraw/zinc/75/85/72/988758572.db2.gz VJOOOTNIAIVXCR-JTQLQIEISA-N 1 0 246.782 2.222 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)C(C)C ZINC001324238068 988764393 /nfs/dbraw/zinc/76/43/93/988764393.db2.gz XIQQDMNWPBZGDT-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)C(C)C ZINC001324238070 988765797 /nfs/dbraw/zinc/76/57/97/988765797.db2.gz XIQQDMNWPBZGDT-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]C[C@@H](CCCC)NC(=O)C(C)C ZINC001506531058 988784442 /nfs/dbraw/zinc/78/44/42/988784442.db2.gz PJANJDOIXRNCIY-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC001506896632 988795554 /nfs/dbraw/zinc/79/55/54/988795554.db2.gz QVJWORGYEJEAKQ-YRGRVCCFSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)CC(C)(F)F ZINC001506945217 988801574 /nfs/dbraw/zinc/80/15/74/988801574.db2.gz SVVRMSHHNOOXTF-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CCC[NH2+]CC ZINC001506935004 988801801 /nfs/dbraw/zinc/80/18/01/988801801.db2.gz ZRYIEQUXHBEZEQ-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO CC[C@H]([NH3+])CN(C)[C@H](C)Cc1cccc(C#N)c1 ZINC001246973092 988804235 /nfs/dbraw/zinc/80/42/35/988804235.db2.gz HLEOENWLSFZUNF-DOMZBBRYSA-N 1 0 245.370 2.158 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(F)F ZINC001507038919 988806379 /nfs/dbraw/zinc/80/63/79/988806379.db2.gz NDXMOWFEJODHGG-VHSXEESVSA-N 1 0 248.317 2.043 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C1CC(C)C1 ZINC001507060651 988812347 /nfs/dbraw/zinc/81/23/47/988812347.db2.gz KDTYXULWUUTHEU-CPCZMJQVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)CCCC ZINC001507069104 988812510 /nfs/dbraw/zinc/81/25/10/988812510.db2.gz JPLVDPKRMCVUHP-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CCCC ZINC001507069105 988813298 /nfs/dbraw/zinc/81/32/98/988813298.db2.gz JPLVDPKRMCVUHP-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCN[C@@H](C(F)(F)F)C1 ZINC001246994873 988828384 /nfs/dbraw/zinc/82/83/84/988828384.db2.gz YNHUCZNHDPUNEI-NXEZZACHSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CCC[C@@H](C)N1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001246995266 988829675 /nfs/dbraw/zinc/82/96/75/988829675.db2.gz YORMZDFWPYPFLQ-NXEZZACHSA-N 1 0 236.281 2.177 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC001324428384 988835804 /nfs/dbraw/zinc/83/58/04/988835804.db2.gz JZJYGFZIXJCKPP-AWEZNQCLSA-N 1 0 249.354 2.205 20 30 BEEDRO C=CCC[C@H](C)N1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001247013655 988839708 /nfs/dbraw/zinc/83/97/08/988839708.db2.gz HODZIJRYYUSXFW-MELADBBJSA-N 1 0 222.376 2.415 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccn1C1CC1 ZINC001324429853 988840119 /nfs/dbraw/zinc/84/01/19/988840119.db2.gz XZIUBVCBENIELZ-LLVKDONJSA-N 1 0 202.301 2.324 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)C1(C)CC1)C(C)(C)C ZINC001507949285 988848146 /nfs/dbraw/zinc/84/81/46/988848146.db2.gz RXWXRZODOQMRNO-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C1CC(N(C)C(=O)C=C(C)C)C1 ZINC001508086439 988850145 /nfs/dbraw/zinc/85/01/45/988850145.db2.gz KCFXOMMWUDAMMM-UHFFFAOYSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C(C)C)C1 ZINC001324574666 988876185 /nfs/dbraw/zinc/87/61/85/988876185.db2.gz SYPSDAYMFJQDEX-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)[NH2+]Cc1nc(-c2cccc(C#N)c2)no1 ZINC001247456224 988893197 /nfs/dbraw/zinc/89/31/97/988893197.db2.gz KCGXZFROLDTIFT-UHFFFAOYSA-N 1 0 242.282 2.106 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001119306849 988924392 /nfs/dbraw/zinc/92/43/92/988924392.db2.gz VNHIAXSNXMQYTF-XQQFMLRXSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC001325011363 989054192 /nfs/dbraw/zinc/05/41/92/989054192.db2.gz POIXBMZQPGKTCV-YPMHNXCESA-N 1 0 235.327 2.114 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H]1CCCC ZINC001119450318 989080027 /nfs/dbraw/zinc/08/00/27/989080027.db2.gz PGADYVWDTSHWOB-MJBXVCDLSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[N@H+](CC1CC1)[C@@H]1CC[C@@H](C#N)C1 ZINC001325179855 989099474 /nfs/dbraw/zinc/09/94/74/989099474.db2.gz CCYPELCBGZMIHP-CHWSQXEVSA-N 1 0 202.301 2.024 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[Si](C)(C)C)C1 ZINC001325228264 989125528 /nfs/dbraw/zinc/12/55/28/989125528.db2.gz LAPDFBXQRTWGAV-LLVKDONJSA-N 1 0 213.397 2.141 20 30 BEEDRO CCc1cc(C#N)ccc1CN(C)CC[NH+](C)C ZINC001248743392 989140076 /nfs/dbraw/zinc/14/00/76/989140076.db2.gz VJZDUSYCXLDSDU-UHFFFAOYSA-N 1 0 245.370 2.114 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC001325298867 989148678 /nfs/dbraw/zinc/14/86/78/989148678.db2.gz IHNZABWWZQBFRV-HNNXBMFYSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC001325298868 989152545 /nfs/dbraw/zinc/15/25/45/989152545.db2.gz IHNZABWWZQBFRV-OAHLLOKOSA-N 1 0 247.338 2.472 20 30 BEEDRO C=C[C@@H](CC)CC(=O)O[C@H](CC)C[NH+](C)C ZINC001516655714 989167528 /nfs/dbraw/zinc/16/75/28/989167528.db2.gz JQKVZEKXJNFJNP-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO SC1CC[NH+](Cc2ccc3n2CCC3)CC1 ZINC001248823839 989184554 /nfs/dbraw/zinc/18/45/54/989184554.db2.gz NNFPUIZIRMLNFO-UHFFFAOYSA-N 1 0 236.384 2.329 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC001325617360 989216020 /nfs/dbraw/zinc/21/60/20/989216020.db2.gz YRHUZGISVYAYKT-SECBINFHSA-N 1 0 245.244 2.395 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC001119614367 989241271 /nfs/dbraw/zinc/24/12/71/989241271.db2.gz XNCTUWOFDGSZAY-RISCZKNCSA-N 1 0 247.338 2.301 20 30 BEEDRO C[NH2+][C@H](C)CCN[C@H](C)c1ccc(C#N)cc1F ZINC001325724366 989242249 /nfs/dbraw/zinc/24/22/49/989242249.db2.gz WRDZSMJVXHIZJW-GHMZBOCLSA-N 1 0 249.333 2.346 20 30 BEEDRO CC[N@H+](Cc1cnn2ccc(C#N)cc12)C1CC1 ZINC001249082431 989248834 /nfs/dbraw/zinc/24/88/34/989248834.db2.gz SJAJHFARLHIBHO-UHFFFAOYSA-N 1 0 240.310 2.190 20 30 BEEDRO CC1C[NH+](Cc2cc3ccc(C#N)cc3[nH]2)C1 ZINC001249426295 989276361 /nfs/dbraw/zinc/27/63/61/989276361.db2.gz LLKIBFAOTGGZMI-UHFFFAOYSA-N 1 0 225.295 2.491 20 30 BEEDRO N#Cc1ccc2cc(C[NH+]3CC=CC3)[nH]c2c1 ZINC001249426237 989277484 /nfs/dbraw/zinc/27/74/84/989277484.db2.gz JUPCIAFBGUYNFE-UHFFFAOYSA-N 1 0 223.279 2.411 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(Cl)c1)[C@H](C)O ZINC001325843545 989281809 /nfs/dbraw/zinc/28/18/09/989281809.db2.gz DDGDXDYDPMLFLO-BDAKNGLRSA-N 1 0 238.718 2.071 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC001518981413 989364750 /nfs/dbraw/zinc/36/47/50/989364750.db2.gz PHFBKUNRFWLORJ-ZDUSSCGKSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NCC[C@H](C)[NH2+]C ZINC001326133385 989385691 /nfs/dbraw/zinc/38/56/91/989385691.db2.gz PXFRTQAWKVXXBZ-NWDGAFQWSA-N 1 0 241.379 2.028 20 30 BEEDRO C[C@@H](O)[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001119780277 989399227 /nfs/dbraw/zinc/39/92/27/989399227.db2.gz GLRKASKBMNLGEX-BLYZHGLHSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CC2(OC)CCCC2)C1 ZINC001326281315 989461641 /nfs/dbraw/zinc/46/16/41/989461641.db2.gz XGRQLCKPWNSCSK-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)/C=C/C(C)(C)C)CC1 ZINC001520077805 989503658 /nfs/dbraw/zinc/50/36/58/989503658.db2.gz QVRUKWRFWVAXHQ-RMKNXTFCSA-N 1 0 249.354 2.230 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC001520994930 989631213 /nfs/dbraw/zinc/63/12/13/989631213.db2.gz KYUITVZFDSCFNX-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)s1 ZINC001326717967 989664677 /nfs/dbraw/zinc/66/46/77/989664677.db2.gz XYRINNRRPXCBRS-GZMMTYOYSA-N 1 0 204.298 2.214 20 30 BEEDRO C=C(CC)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC001521317172 989678773 /nfs/dbraw/zinc/67/87/73/989678773.db2.gz LURAXEMLICVRLD-UHFFFAOYSA-N 1 0 219.288 2.052 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CC2(CCC2)C1 ZINC001120509868 989686219 /nfs/dbraw/zinc/68/62/19/989686219.db2.gz XSMNKLCTIVLOLU-GFCCVEGCSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)/C=C(\C)C2CC2)CCC1 ZINC001326786508 989709159 /nfs/dbraw/zinc/70/91/59/989709159.db2.gz UDPPZLCIXBFIEY-ZRDIBKRKSA-N 1 0 248.370 2.157 20 30 BEEDRO CC[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC001120590648 989762375 /nfs/dbraw/zinc/76/23/75/989762375.db2.gz PNMNJRQJPPTBBD-PWSUYJOCSA-N 1 0 205.305 2.208 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001120626578 989799004 /nfs/dbraw/zinc/79/90/04/989799004.db2.gz NBVKIWJFLJJYHW-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCCC(C)(C)C=C ZINC001522151334 989833354 /nfs/dbraw/zinc/83/33/54/989833354.db2.gz PTBXNEWEEGWRKH-LBPRGKRZSA-N 1 0 238.375 2.389 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC12CC2 ZINC001522265844 989843767 /nfs/dbraw/zinc/84/37/67/989843767.db2.gz TYRZFXAWYQACHD-VXGBXAGGSA-N 1 0 236.359 2.119 20 30 BEEDRO C=C(CC)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC001522410078 989849918 /nfs/dbraw/zinc/84/99/18/989849918.db2.gz DQSNZBKUCWUENX-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1[C@@H](C)CCC1(C)C ZINC001522418042 989850158 /nfs/dbraw/zinc/85/01/58/989850158.db2.gz OBICYTRBPXEXMH-NWDGAFQWSA-N 1 0 238.375 2.460 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCC(CC)(CC)C1 ZINC001522646823 989867885 /nfs/dbraw/zinc/86/78/85/989867885.db2.gz OQDLNWHKJPYNML-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC001120814743 989897029 /nfs/dbraw/zinc/89/70/29/989897029.db2.gz GPOZHMINRACNPS-UHFFFAOYSA-N 1 0 244.342 2.455 20 30 BEEDRO C#Cc1ccc(N[C@@H](C)C[N@H+](C)C(C)C)nc1 ZINC001120848422 989920745 /nfs/dbraw/zinc/92/07/45/989920745.db2.gz GSJMVLLEJDBYMZ-LBPRGKRZSA-N 1 0 231.343 2.204 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC001523623156 989942909 /nfs/dbraw/zinc/94/29/09/989942909.db2.gz NADSQUGBKMAJBT-ZFWWWQNUSA-N 1 0 248.370 2.013 20 30 BEEDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3ccc(C#N)cc3)[C@H]2C1 ZINC001121007936 989997495 /nfs/dbraw/zinc/99/74/95/989997495.db2.gz CUROPSBFKIAZIC-AEGPPILISA-N 1 0 241.338 2.310 20 30 BEEDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3ccc(C#N)cc3)[C@@H]2C1 ZINC001121007938 990000412 /nfs/dbraw/zinc/00/04/12/990000412.db2.gz CUROPSBFKIAZIC-CFVMTHIKSA-N 1 0 241.338 2.310 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC001122165242 990274993 /nfs/dbraw/zinc/27/49/93/990274993.db2.gz YOFRVPUGWZRRAF-OLZOCXBDSA-N 1 0 238.375 2.175 20 30 BEEDRO C=C(CC)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC001528324493 990281972 /nfs/dbraw/zinc/28/19/72/990281972.db2.gz VVTNYLWXMHPMBL-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@]1(C)CCC[NH2+]C1 ZINC001122318870 990339692 /nfs/dbraw/zinc/33/96/92/990339692.db2.gz AFCUECVAMWBEKA-CQSZACIVSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)CC1CC1 ZINC001122554057 990413098 /nfs/dbraw/zinc/41/30/98/990413098.db2.gz BDHWOYNGIVBBJQ-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CC(C)C ZINC001122794771 990447572 /nfs/dbraw/zinc/44/75/72/990447572.db2.gz ANFMQRXTOHSVAA-GFCCVEGCSA-N 1 0 226.364 2.093 20 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C=CCCC[NH2+]CCNC(=O)/C=C(\C)C1CC1 ZINC001124230715 990765992 /nfs/dbraw/zinc/76/59/92/990765992.db2.gz WPIFJJQVEUEATC-VAWYXSNFSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)/C(C)=C\CC ZINC001124325363 990777186 /nfs/dbraw/zinc/77/71/86/990777186.db2.gz JUFGCDSQSRVYCG-WQLSENKSSA-N 1 0 224.348 2.015 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C[C@H](C)C(C)C ZINC001124716242 990804886 /nfs/dbraw/zinc/80/48/86/990804886.db2.gz DTWHYLQWBSNFRJ-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)CCC ZINC001124953953 990813539 /nfs/dbraw/zinc/81/35/39/990813539.db2.gz YRXRQULDXICTJR-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)/C=C/C1CC1 ZINC001125243310 990819246 /nfs/dbraw/zinc/81/92/46/990819246.db2.gz SUWIOVGHZCZIGG-IDVQTMNDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)c1ccccc1 ZINC001556466417 990828560 /nfs/dbraw/zinc/82/85/60/990828560.db2.gz XHRHYNUAZOPCMG-UHFFFAOYSA-N 1 0 246.354 2.267 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)CC)C1 ZINC000829810927 990868303 /nfs/dbraw/zinc/86/83/03/990868303.db2.gz WLMSFUVCUBZQOL-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CC(C)C2)cc1OC ZINC001138342068 990922713 /nfs/dbraw/zinc/92/27/13/990922713.db2.gz XQIHVNAGDLSQMT-UHFFFAOYSA-N 1 0 245.322 2.159 20 30 BEEDRO CCCCCCC[N@H+](C)C[C@H]1CCC(=O)N1 ZINC001202843196 990973025 /nfs/dbraw/zinc/97/30/25/990973025.db2.gz FUMSSPGXTMVAGK-GFCCVEGCSA-N 1 0 226.364 2.167 20 30 BEEDRO C=CCc1cccc(C[N@H+](C)CC2COC2)c1O ZINC001138628617 990985851 /nfs/dbraw/zinc/98/58/51/990985851.db2.gz YRWBTJILEAGKCG-UHFFFAOYSA-N 1 0 247.338 2.199 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnn(CCC)c1C ZINC001138637942 990990603 /nfs/dbraw/zinc/99/06/03/990990603.db2.gz CQYRETOGDMNWJT-UHFFFAOYSA-N 1 0 207.321 2.219 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2cnc(C)nc2)c1 ZINC001308435641 990992366 /nfs/dbraw/zinc/99/23/66/990992366.db2.gz OEFBWFQAVIBTPQ-UHFFFAOYSA-N 1 0 237.306 2.056 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnsc2)CC1 ZINC001308510865 991013185 /nfs/dbraw/zinc/01/31/85/991013185.db2.gz YXCQSJGLEHERQG-UMSPYCQHSA-N 1 0 220.341 2.425 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+][C@H](C)CC#N)C1 ZINC001308505459 991014141 /nfs/dbraw/zinc/01/41/41/991014141.db2.gz GYWPKPPNGDBIMV-IJLUTSLNSA-N 1 0 210.321 2.226 20 30 BEEDRO CCOC(=O)CCC[C@H](C)[NH2+]CCCS ZINC001258108121 991015040 /nfs/dbraw/zinc/01/50/40/991015040.db2.gz FQNIYYGGQDOHCN-JTQLQIEISA-N 1 0 233.377 2.018 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2c(c1)CCCO2 ZINC001138716543 991019115 /nfs/dbraw/zinc/01/91/15/991019115.db2.gz MVSXHWNMIFIZGF-UHFFFAOYSA-N 1 0 215.296 2.077 20 30 BEEDRO CCOC(=O)CCC[C@H](C)[NH2+]CC(C)(C)S ZINC001258110146 991023094 /nfs/dbraw/zinc/02/30/94/991023094.db2.gz UBCAIMSITNZISA-JTQLQIEISA-N 1 0 247.404 2.406 20 30 BEEDRO C[C@H]1C[C@H](NC2(C#N)CC[NH+](C)CC2)C[C@@H](C)C1 ZINC001258159819 991046523 /nfs/dbraw/zinc/04/65/23/991046523.db2.gz HEMHCXTXXYGVES-WDNDVIMCSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H](Cc1ccco1)NC(=[NH2+])c1ccc(F)cn1 ZINC001258180263 991079890 /nfs/dbraw/zinc/07/98/90/991079890.db2.gz KAMOWTRLYUTFDR-VIFPVBQESA-N 1 0 247.273 2.150 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]C1CC(C#N)C1 ZINC001258183256 991082015 /nfs/dbraw/zinc/08/20/15/991082015.db2.gz KVGDEDUXCIFJTG-WHXUTIOJSA-N 1 0 204.273 2.102 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+]Cc1cc(C#N)co1 ZINC001258183412 991082136 /nfs/dbraw/zinc/08/21/36/991082136.db2.gz NDCROTBWGWLIMQ-SNVBAGLBSA-N 1 0 230.267 2.465 20 30 BEEDRO C[C@@H](Cc1ccco1)[NH2+]Cc1cc(C#N)co1 ZINC001258183410 991084701 /nfs/dbraw/zinc/08/47/01/991084701.db2.gz NDCROTBWGWLIMQ-JTQLQIEISA-N 1 0 230.267 2.465 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccn1C(F)F ZINC001308710718 991103149 /nfs/dbraw/zinc/10/31/49/991103149.db2.gz XEPHLDINOBFKCY-SECBINFHSA-N 1 0 230.258 2.174 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccn1C(F)F ZINC001308710719 991104103 /nfs/dbraw/zinc/10/41/03/991104103.db2.gz XEPHLDINOBFKCY-VIFPVBQESA-N 1 0 230.258 2.174 20 30 BEEDRO C[C@@H](Cc1ccco1)[N@@H+]1CC[C@](C)(C#N)C1 ZINC001258199841 991114899 /nfs/dbraw/zinc/11/48/99/991114899.db2.gz QWCRBQDYSVEADB-WCQYABFASA-N 1 0 218.300 2.446 20 30 BEEDRO C[C@H](Cc1ccco1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001258199842 991115806 /nfs/dbraw/zinc/11/58/06/991115806.db2.gz QWCRBQDYSVEADB-YPMHNXCESA-N 1 0 218.300 2.446 20 30 BEEDRO C[C@@H](Cc1ccco1)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001258199839 991117117 /nfs/dbraw/zinc/11/71/17/991117117.db2.gz QWCRBQDYSVEADB-AAEUAGOBSA-N 1 0 218.300 2.446 20 30 BEEDRO CSCC[C@@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001258203153 991120799 /nfs/dbraw/zinc/12/07/99/991120799.db2.gz ATWAPGZTTRESRB-MRVPVSSYSA-N 1 0 241.335 2.068 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1NC)C(C)C ZINC001308750623 991120939 /nfs/dbraw/zinc/12/09/39/991120939.db2.gz NGRZIDOKEUNZKB-CYBMUJFWSA-N 1 0 216.328 2.476 20 30 BEEDRO CSCC[C@@H](C)[NH2+]Cc1ncc(C#N)s1 ZINC001258207183 991127869 /nfs/dbraw/zinc/12/78/69/991127869.db2.gz WJFBOIIWLAJCJC-MRVPVSSYSA-N 1 0 241.385 2.246 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CCSC ZINC001258207068 991128051 /nfs/dbraw/zinc/12/80/51/991128051.db2.gz RWDROGFKHXPRNV-STQMWFEESA-N 1 0 242.432 2.368 20 30 BEEDRO CCCn1cc(C[N@@H+]2CCC[C@@H](C#N)CC2)cn1 ZINC001139039848 991129203 /nfs/dbraw/zinc/12/92/03/991129203.db2.gz BZMDAGHDFMNHGI-CYBMUJFWSA-N 1 0 246.358 2.419 20 30 BEEDRO CSCC[C@H](C)[NH+]1CCC(C#N)CC1 ZINC001258212964 991132190 /nfs/dbraw/zinc/13/21/90/991132190.db2.gz KZMUXCSVNFKQFP-JTQLQIEISA-N 1 0 212.362 2.364 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21 ZINC001308828360 991162857 /nfs/dbraw/zinc/16/28/57/991162857.db2.gz OOMDOVKFAVCPID-PEDHHIEDSA-N 1 0 221.344 2.356 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cncn2CCC)C1 ZINC001308839362 991168866 /nfs/dbraw/zinc/16/88/66/991168866.db2.gz DAMQHDVLNUZRNC-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(O[C@H](C)COC)cc1 ZINC001308962654 991234848 /nfs/dbraw/zinc/23/48/48/991234848.db2.gz CEZSPMFHWIPYSX-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(O[C@@H](C)COC)cc1 ZINC001308962655 991235885 /nfs/dbraw/zinc/23/58/85/991235885.db2.gz CEZSPMFHWIPYSX-ZDUSSCGKSA-N 1 0 247.338 2.165 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CCOCC1 ZINC001308976596 991246772 /nfs/dbraw/zinc/24/67/72/991246772.db2.gz ICLJXIFWQINABL-MELADBBJSA-N 1 0 248.370 2.475 20 30 BEEDRO CC[C@@H]1CC[N@H+](CCO[C@H](C)C#N)[C@H]1C ZINC001559769375 991250640 /nfs/dbraw/zinc/25/06/40/991250640.db2.gz NRQFZOPKCZJBFW-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)C1CCCC1 ZINC001559797180 991263290 /nfs/dbraw/zinc/26/32/90/991263290.db2.gz JMSYIIQCSGHKOF-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO COC(=O)CC[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC001258345148 991270539 /nfs/dbraw/zinc/27/05/39/991270539.db2.gz HLAXPXLJCPYNLA-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)[C@H]([NH2+]CC1(CC#N)CC1)C(C)(C)O ZINC001559821453 991279205 /nfs/dbraw/zinc/27/92/05/991279205.db2.gz VAGFOAXNBMPLEJ-NSHDSACASA-N 1 0 224.348 2.065 20 30 BEEDRO COC(=O)CC[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001258351827 991284629 /nfs/dbraw/zinc/28/46/29/991284629.db2.gz XQQVFPRKPVTXEX-SDDRHHMPSA-N 1 0 238.331 2.000 20 30 BEEDRO COC(=O)CC[C@H](C)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001258351828 991286320 /nfs/dbraw/zinc/28/63/20/991286320.db2.gz XQQVFPRKPVTXEX-SRVKXCTJSA-N 1 0 238.331 2.000 20 30 BEEDRO C#CC1([NH2+][C@@H](C)CCC(=O)OC)CCCCC1 ZINC001258360874 991303495 /nfs/dbraw/zinc/30/34/95/991303495.db2.gz HEPSNVXPNIIBAV-LBPRGKRZSA-N 1 0 237.343 2.254 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H]1CNC(=O)CCC ZINC001317493028 991306465 /nfs/dbraw/zinc/30/64/65/991306465.db2.gz YTMDGIBPZYKIEU-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CCC1(C[N@H+](C)Cc2ccc(C#N)cc2)COC1 ZINC001202957671 991306269 /nfs/dbraw/zinc/30/62/69/991306269.db2.gz GJURHFADHMIJPN-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)CCC(=O)OC ZINC001258375355 991329018 /nfs/dbraw/zinc/32/90/18/991329018.db2.gz QKJSJPAJDQYUSF-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000305241804 991334352 /nfs/dbraw/zinc/33/43/52/991334352.db2.gz RQUCBPOPTKWOJS-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)CC1=NOCC1 ZINC001559931823 991338861 /nfs/dbraw/zinc/33/88/61/991338861.db2.gz XBEKFHDQVHMFAM-LLVKDONJSA-N 1 0 243.310 2.327 20 30 BEEDRO CC[N@H+](Cc1ccc(C)c(C#N)c1)C1CN(C)C1 ZINC001139727571 991345131 /nfs/dbraw/zinc/34/51/31/991345131.db2.gz VINGMTCLNJSNBU-UHFFFAOYSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@@H]2CC)cn1 ZINC001139770321 991363005 /nfs/dbraw/zinc/36/30/05/991363005.db2.gz MEILLJIPICBGIW-ZDUSSCGKSA-N 1 0 219.332 2.444 20 30 BEEDRO C=CCn1cc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)cn1 ZINC001139772852 991364823 /nfs/dbraw/zinc/36/48/23/991364823.db2.gz QZKQNQDXTKQPKT-BETUJISGSA-N 1 0 231.343 2.157 20 30 BEEDRO C=CCn1cc(C[N@H+]2C[C@@H](C)CC23CC3)cn1 ZINC001139770953 991366436 /nfs/dbraw/zinc/36/64/36/991366436.db2.gz IRBBOQMVGWQVLG-LBPRGKRZSA-N 1 0 231.343 2.444 20 30 BEEDRO N#Cc1ccnc(C[NH2+]C2(C3CC3)CCC2)c1 ZINC001560133919 991389151 /nfs/dbraw/zinc/38/91/51/991389151.db2.gz PPGFDJKTBLPBNJ-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO C[C@H](CC1CC1)NC(=[NH2+])c1ccc(C#N)cc1 ZINC001258449204 991396030 /nfs/dbraw/zinc/39/60/30/991396030.db2.gz YBZUDKRGGCDYQG-SNVBAGLBSA-N 1 0 227.311 2.452 20 30 BEEDRO C=C(C)CC[NH+]1CCC(Cc2nncn2C)CC1 ZINC001560157539 991397105 /nfs/dbraw/zinc/39/71/05/991397105.db2.gz FGCICNJXSLLHCB-UHFFFAOYSA-N 1 0 248.374 2.036 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C(CC)CC)C1 ZINC001317101490 991407342 /nfs/dbraw/zinc/40/73/42/991407342.db2.gz CYJQYLFCABMDGS-BETUJISGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@H]2CCC)C1=O ZINC001560201028 991412334 /nfs/dbraw/zinc/41/23/34/991412334.db2.gz CUESUKXGZTUWEG-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCNC(=O)/C=C(\C)CC ZINC001316822191 991416381 /nfs/dbraw/zinc/41/63/81/991416381.db2.gz NZMDXWWBPGXLPZ-JLHYYAGUSA-N 1 0 238.375 2.357 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)CCC(C)C ZINC001560209757 991417948 /nfs/dbraw/zinc/41/79/48/991417948.db2.gz XEFZLRAZKULXHH-KGLIPLIRSA-N 1 0 223.360 2.271 20 30 BEEDRO CC#CCN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C(C)C ZINC001560216755 991421661 /nfs/dbraw/zinc/42/16/61/991421661.db2.gz BZQMOWZQTZYMBM-LSDHHAIUSA-N 1 0 234.387 2.204 20 30 BEEDRO CC#CCN1C[C@H]([NH+]2CCCC2)C[C@H]1C(C)C ZINC001560216752 991422042 /nfs/dbraw/zinc/42/20/42/991422042.db2.gz BZQMOWZQTZYMBM-CABCVRRESA-N 1 0 234.387 2.204 20 30 BEEDRO C=CCOc1cccc(CNCCC[NH+](C)C)c1 ZINC001560247327 991440183 /nfs/dbraw/zinc/44/01/83/991440183.db2.gz WEKGNYSJVMNUBS-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([NH2+]CC(C)C)C1 ZINC001317065610 991443849 /nfs/dbraw/zinc/44/38/49/991443849.db2.gz SBOXYUDAUREDRG-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CCC=C)C1 ZINC001317119128 991453957 /nfs/dbraw/zinc/45/39/57/991453957.db2.gz JALXSPFXDVDECR-BETUJISGSA-N 1 0 236.359 2.156 20 30 BEEDRO CCOC(=O)CC[C@H](C)[NH2+]CC(C)(C)S ZINC001258481732 991454437 /nfs/dbraw/zinc/45/44/37/991454437.db2.gz MNRPVDAFDZRRDT-VIFPVBQESA-N 1 0 233.377 2.016 20 30 BEEDRO CCOC(=O)CC[C@@H](C)[NH2+]CC#CC(C)(C)C ZINC001258484573 991454632 /nfs/dbraw/zinc/45/46/32/991454632.db2.gz UIBNPFXSHFXAQT-GFCCVEGCSA-N 1 0 239.359 2.357 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](C)[NH2+]CC[C@@H](C)F ZINC001317246288 991478543 /nfs/dbraw/zinc/47/85/43/991478543.db2.gz VCOLEUQWUCQEMY-VXGBXAGGSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[C@H]1CC ZINC001317270983 991484287 /nfs/dbraw/zinc/48/42/87/991484287.db2.gz NNNQGFJHCUVCGD-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)/C(C)=C\CC)C1 ZINC001317297595 991491357 /nfs/dbraw/zinc/49/13/57/991491357.db2.gz ZHJSUBPCHRUHKM-TZQNSNDFSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[C@@H](C)[NH2+]CCF ZINC001317396346 991496540 /nfs/dbraw/zinc/49/65/40/991496540.db2.gz YALBFRHQNFGQOA-LLVKDONJSA-N 1 0 244.354 2.043 20 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C=CCCCC[N@@H+](C)Cc1ccncn1 ZINC001140348856 991623979 /nfs/dbraw/zinc/62/39/79/991623979.db2.gz CWCRHSKKYPYYEO-UHFFFAOYSA-N 1 0 205.305 2.265 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)C(=O)OCC ZINC001258720816 991652763 /nfs/dbraw/zinc/65/27/63/991652763.db2.gz GSHOPNCPTYFJFA-MNOVXSKESA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)c1ccncc1 ZINC001258722487 991655875 /nfs/dbraw/zinc/65/58/75/991655875.db2.gz PHZSFYSWZAOMFM-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccn(CCF)n1 ZINC001258723541 991659550 /nfs/dbraw/zinc/65/95/50/991659550.db2.gz XKJGFBRFSZJLDT-NSHDSACASA-N 1 0 225.311 2.297 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CC)CNC(=O)CCC ZINC001318495858 991661421 /nfs/dbraw/zinc/66/14/21/991661421.db2.gz WMZLBWYOLTZVAT-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC001258724731 991662233 /nfs/dbraw/zinc/66/22/33/991662233.db2.gz DJLJXVKSBKXTIP-NXEZZACHSA-N 1 0 237.265 2.340 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCOc1ccncc1 ZINC001258725195 991662573 /nfs/dbraw/zinc/66/25/73/991662573.db2.gz HJCIEFAEEBLORL-LBPRGKRZSA-N 1 0 220.316 2.405 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1CN(CC(F)(F)F)C1 ZINC001258725288 991662787 /nfs/dbraw/zinc/66/27/87/991662787.db2.gz IOXCSRFGBHFUKY-SECBINFHSA-N 1 0 236.281 2.177 20 30 BEEDRO C=CCC[C@H](C)Nc1ccc([C@@H](C[NH3+])CO)cc1 ZINC001258725197 991663727 /nfs/dbraw/zinc/66/37/27/991663727.db2.gz HKKLEMXSIJBBKI-JSGCOSHPSA-N 1 0 248.370 2.488 20 30 BEEDRO C=CCC[C@@H](C)Nc1ccc([C@H](C[NH3+])CO)cc1 ZINC001258725199 991664104 /nfs/dbraw/zinc/66/41/04/991664104.db2.gz HKKLEMXSIJBBKI-TZMCWYRMSA-N 1 0 248.370 2.488 20 30 BEEDRO N#Cc1ccc(CN2CCCC[C@@H](F)C2)cn1 ZINC001140540525 991665958 /nfs/dbraw/zinc/66/59/58/991665958.db2.gz ZNCZCNWFDRYZAU-GFCCVEGCSA-N 1 0 233.290 2.277 20 30 BEEDRO C=CCC[C@H](C)n1c(C)nc2c1CC[NH2+]CC2 ZINC001258727706 991666420 /nfs/dbraw/zinc/66/64/20/991666420.db2.gz ILKDDOXGIWUVQT-NSHDSACASA-N 1 0 233.359 2.407 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCC1(CC)OCCO1 ZINC001258726028 991667785 /nfs/dbraw/zinc/66/77/85/991667785.db2.gz POMCIWFUGVPCBB-LBPRGKRZSA-N 1 0 227.348 2.474 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC001258726619 991668133 /nfs/dbraw/zinc/66/81/33/991668133.db2.gz VJUYJSWUUWXUSY-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1CC(C)C1 ZINC001318511558 991670257 /nfs/dbraw/zinc/67/02/57/991670257.db2.gz JJZLVIDZFKVFCE-BPCQOVAHSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)C1CC(C)(C)C1 ZINC001318517758 991670832 /nfs/dbraw/zinc/67/08/32/991670832.db2.gz HMYNDTLXEBPHNK-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)C1CC(C)(C)C1 ZINC001318517759 991671245 /nfs/dbraw/zinc/67/12/45/991671245.db2.gz HMYNDTLXEBPHNK-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H](CC)CNC(=O)/C=C(/C)CC ZINC001318517277 991671336 /nfs/dbraw/zinc/67/13/36/991671336.db2.gz DTNHICCNWMGPBA-UKVQZPPCSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)[C@H](C(=O)OC)C(C)C ZINC001258732541 991676135 /nfs/dbraw/zinc/67/61/35/991676135.db2.gz MYECUZXDYNFCJC-RYUDHWBXSA-N 1 0 227.348 2.471 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)[C@@H]1CCCN(C(C)=O)C1 ZINC001258732667 991677665 /nfs/dbraw/zinc/67/76/65/991677665.db2.gz BEKXUQXQGHNVMW-GXTWGEPZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCn2nccc2C1 ZINC001258734331 991679584 /nfs/dbraw/zinc/67/95/84/991679584.db2.gz WYIULJFOJPLKEW-LLVKDONJSA-N 1 0 205.305 2.053 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H](F)C(C)C ZINC001318561754 991679753 /nfs/dbraw/zinc/67/97/53/991679753.db2.gz JVZQBJZQJYORJC-NWDGAFQWSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](C(=O)OCC)C1 ZINC001258733578 991680205 /nfs/dbraw/zinc/68/02/05/991680205.db2.gz JBXFRHWMIZOXOV-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+][C@H](C)Cc1cccc(C)c1 ZINC001560991442 991681961 /nfs/dbraw/zinc/68/19/61/991681961.db2.gz JWXFYWPNYVVIQL-GDBMZVCRSA-N 1 0 245.366 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ZINC001319790797 991979828 /nfs/dbraw/zinc/97/98/28/991979828.db2.gz MDSWTSDZQNXCSA-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)CC(C)(C)CC ZINC001567283386 992001851 /nfs/dbraw/zinc/00/18/51/992001851.db2.gz CKAXLURQKGGORE-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCC[C@@H](C)C1 ZINC001319864718 992013034 /nfs/dbraw/zinc/01/30/34/992013034.db2.gz AITSUWZODQMTRX-ZIAGYGMSSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)[C@H](F)CC)C(C)C ZINC001319934165 992039390 /nfs/dbraw/zinc/03/93/90/992039390.db2.gz AQHAUSYXKOIPHL-VXGBXAGGSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)/C(C)=C\CC ZINC001567472701 992050733 /nfs/dbraw/zinc/05/07/33/992050733.db2.gz YNSYDMBTSOPQFO-QPEQYQDCSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC(C)(C)CC(=O)N(C)CC[NH2+]CCCC ZINC001567501205 992053444 /nfs/dbraw/zinc/05/34/44/992053444.db2.gz QQPNIEDCKGLJAO-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)CC[C@@H](C)CC 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ZINC001568293701 992156572 /nfs/dbraw/zinc/15/65/72/992156572.db2.gz NTORWKRGEOHEEN-CYBMUJFWSA-N 1 0 238.375 2.025 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CC ZINC001568303692 992160438 /nfs/dbraw/zinc/16/04/38/992160438.db2.gz UAEBOWMBLUAELM-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC001320301592 992160925 /nfs/dbraw/zinc/16/09/25/992160925.db2.gz FZHUSUODGCJULE-DOMZBBRYSA-N 1 0 247.338 2.473 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1CC ZINC001568300451 992160932 /nfs/dbraw/zinc/16/09/32/992160932.db2.gz RFDAXIKOWGDNCO-YNEHKIRRSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)C=C(C)C)C(C)C ZINC001568441629 992166131 /nfs/dbraw/zinc/16/61/31/992166131.db2.gz DXXYBEARKOCXTO-ZDUSSCGKSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC)C1 ZINC001568400098 992166464 /nfs/dbraw/zinc/16/64/64/992166464.db2.gz CTZCBJXDZTWTJX-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC ZINC001568419137 992167871 /nfs/dbraw/zinc/16/78/71/992167871.db2.gz LNCOYGYDDZVLRN-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)CC[NH2+]CC(C)C ZINC001320361312 992181821 /nfs/dbraw/zinc/18/18/21/992181821.db2.gz GTPDTCBOCTUXIK-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)/C(C)=C/CC ZINC001320360529 992182524 /nfs/dbraw/zinc/18/25/24/992182524.db2.gz DLNBZSAYWYVPKZ-VNKGSWCUSA-N 1 0 224.348 2.013 20 30 BEEDRO C[C@@H]1C[C@H](Nc2cccc(CC#N)n2)CC[N@@H+]1C ZINC001320363347 992186241 /nfs/dbraw/zinc/18/62/41/992186241.db2.gz CTGWRKSTWOAHLJ-DGCLKSJQSA-N 1 0 244.342 2.042 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)/C(C)=C\C ZINC001320386685 992188688 /nfs/dbraw/zinc/18/86/88/992188688.db2.gz KRRSRBUCGMVOOF-TZQNSNDFSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)CC[NH2+]CC(=C)Cl ZINC001568611434 992197128 /nfs/dbraw/zinc/19/71/28/992197128.db2.gz HDHFTMSVWPGESZ-NSHDSACASA-N 1 0 244.766 2.190 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCC2(OC)CCC2)C1 ZINC001261237478 992197707 /nfs/dbraw/zinc/19/77/07/992197707.db2.gz UZPPXHLZAVCEKU-CYBMUJFWSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)CC ZINC001568672295 992203214 /nfs/dbraw/zinc/20/32/14/992203214.db2.gz IVQCRWDULKDUKN-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC[NH2+]CCN(CC)C(=O)[C@H]1C[C@@H]1C ZINC001568723579 992209213 /nfs/dbraw/zinc/20/92/13/992209213.db2.gz IDAWHSRCXZIKIS-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@@H](C)CC[NH2+]CC ZINC001320542234 992234659 /nfs/dbraw/zinc/23/46/59/992234659.db2.gz DTRMVKYNJPYVMY-WCQYABFASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC12CC2 ZINC001568923975 992238448 /nfs/dbraw/zinc/23/84/48/992238448.db2.gz ASJOKSNNIJCREG-OOPCZODUSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CCC[NH2+]C/C=C/CNC(=O)C1(CC)CC1 ZINC001568913489 992240098 /nfs/dbraw/zinc/24/00/98/992240098.db2.gz FYVCRNGAPVPKBC-VOTSOKGWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCC(C)(C)C(=O)NC/C=C/C[NH2+]CCC ZINC001568927190 992241621 /nfs/dbraw/zinc/24/16/21/992241621.db2.gz QLBAXICAMVODML-BQYQJAHWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC1(C)C ZINC001568988710 992258872 /nfs/dbraw/zinc/25/88/72/992258872.db2.gz XVJRGOHRGXQLOH-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](C)CCC ZINC001569049683 992273120 /nfs/dbraw/zinc/27/31/20/992273120.db2.gz JIZIKTVZEQXNKQ-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+](C)C[C@H](F)CC ZINC001569108752 992319354 /nfs/dbraw/zinc/31/93/54/992319354.db2.gz MAXNGMIDOIMFOL-NWDGAFQWSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cc[nH]c1 ZINC001569118344 992322224 /nfs/dbraw/zinc/32/22/24/992322224.db2.gz RKCGCNLUKUGJLY-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001569118343 992322473 /nfs/dbraw/zinc/32/24/73/992322473.db2.gz RKCGCNLUKUGJLY-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO C=C(C)CCC(=O)N(CC)CC[NH2+]CC(=C)C ZINC001320746853 992338719 /nfs/dbraw/zinc/33/87/19/992338719.db2.gz VQGQOGUBMXJMGH-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)CC(C)C)CC1 ZINC001569389141 992379979 /nfs/dbraw/zinc/37/99/79/992379979.db2.gz WPJOQULGVWCEQN-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO CC1(C[NH2+]CCNc2ncccc2C#N)CCC1 ZINC001320917163 992403067 /nfs/dbraw/zinc/40/30/67/992403067.db2.gz KAPLABCFQZGPAU-UHFFFAOYSA-N 1 0 244.342 2.145 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NCC[C@@H](C)[NH2+]C ZINC001261632221 992426185 /nfs/dbraw/zinc/42/61/85/992426185.db2.gz TZEWTOVDMSHFAL-LLVKDONJSA-N 1 0 241.379 2.028 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)C1CC=CC1 ZINC001321015590 992432554 /nfs/dbraw/zinc/43/25/54/992432554.db2.gz VCWYSVVLZDQDAE-WAYWQWQTSA-N 1 0 248.370 2.181 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CCCCN1C(C)=O ZINC001570078884 992439295 /nfs/dbraw/zinc/43/92/95/992439295.db2.gz DVTPHTHIONFDOD-TZMCWYRMSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC001570171487 992445882 /nfs/dbraw/zinc/44/58/82/992445882.db2.gz WUBTYEBHBWZJFI-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC001570171486 992447504 /nfs/dbraw/zinc/44/75/04/992447504.db2.gz WUBTYEBHBWZJFI-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)/C(C)=C/C ZINC001570456722 992470982 /nfs/dbraw/zinc/47/09/82/992470982.db2.gz XVNNUWQXYHIJEA-BCMYLCSRSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H](F)CC ZINC001570464235 992473494 /nfs/dbraw/zinc/47/34/94/992473494.db2.gz NQSAVDAECRJWNJ-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[C@H](C)[NH2+]CCC ZINC001570467147 992474318 /nfs/dbraw/zinc/47/43/18/992474318.db2.gz VRVVZODGKUDXQN-GXTWGEPZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C\CC ZINC001570590991 992486164 /nfs/dbraw/zinc/48/61/64/992486164.db2.gz STYLXNVNYCJFLV-ZFPPVFKBSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC ZINC001570603893 992488836 /nfs/dbraw/zinc/48/88/36/992488836.db2.gz GOSNGJKKPWEFGV-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC001321241825 992499106 /nfs/dbraw/zinc/49/91/06/992499106.db2.gz SGBJEMOMNXOCAF-FZMZJTMJSA-N 1 0 235.327 2.031 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CCCC ZINC001570697665 992499465 /nfs/dbraw/zinc/49/94/65/992499465.db2.gz HDPODZXDUBHZAZ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1CCC ZINC001261780993 992504989 /nfs/dbraw/zinc/50/49/89/992504989.db2.gz FGCWFQLUDPBQEI-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CCN(C)C(=O)CC)C(C)C ZINC001570770463 992517772 /nfs/dbraw/zinc/51/77/72/992517772.db2.gz FVASDOFEBRJHLL-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)C)C1 ZINC001570860172 992527043 /nfs/dbraw/zinc/52/70/43/992527043.db2.gz NUZQRGGSVVRBJG-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC ZINC001571373925 992542432 /nfs/dbraw/zinc/54/24/32/992542432.db2.gz RFEPPLSDZSFYQO-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)/C(C)=C/CC ZINC001571379545 992547113 /nfs/dbraw/zinc/54/71/13/992547113.db2.gz ZAHNTIANJYCVFO-CNELAYHGSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001571403135 992550065 /nfs/dbraw/zinc/55/00/65/992550065.db2.gz KXJBTHHLGGGSMQ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH2+]CCC)C[C@@H]1C ZINC001571485480 992565815 /nfs/dbraw/zinc/56/58/15/992565815.db2.gz RPJOSMMBKPUQMN-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]([NH2+]CC(=C)C)C[C@H]1C ZINC001571473939 992566261 /nfs/dbraw/zinc/56/62/61/992566261.db2.gz YIAOGRPDGFHAES-OLZOCXBDSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccoc2)C1 ZINC001571472118 992566539 /nfs/dbraw/zinc/56/65/39/992566539.db2.gz ZTEFTIGFUXUCHD-AAEUAGOBSA-N 1 0 248.326 2.048 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H](NC(=O)CCC)[C@@H]1C ZINC001571513791 992567510 /nfs/dbraw/zinc/56/75/10/992567510.db2.gz XAJMZOFMGAGTGH-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC(=O)N1C[C@H]([NH2+]CC)C(C)(C)C1 ZINC001571563783 992569545 /nfs/dbraw/zinc/56/95/45/992569545.db2.gz QILYNABWZYASJW-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C=C(C)C)C1 ZINC001571529609 992569707 /nfs/dbraw/zinc/56/97/07/992569707.db2.gz FGQUJGHMOCMEDC-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]CCC)C(C)(C)C1 ZINC001571554855 992569849 /nfs/dbraw/zinc/56/98/49/992569849.db2.gz QZPYGZMCYKKMGM-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C=C(C)C)C1 ZINC001571529608 992570472 /nfs/dbraw/zinc/57/04/72/992570472.db2.gz FGQUJGHMOCMEDC-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC=C)C1 ZINC001571530906 992570480 /nfs/dbraw/zinc/57/04/80/992570480.db2.gz UTWJDXNFLOKWGG-QWHCGFSZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCC(=O)N1C[C@@H]([NH2+]CCC)C(C)(C)C1 ZINC001571554854 992571704 /nfs/dbraw/zinc/57/17/04/992571704.db2.gz QZPYGZMCYKKMGM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[N@H+]1CC=C(CNC(=O)C=C(C)C)CC1 ZINC001571680743 992580364 /nfs/dbraw/zinc/58/03/64/992580364.db2.gz XMFKLFXPEDATBU-UHFFFAOYSA-N 1 0 248.370 2.277 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2O)C1 ZINC001262010841 992598248 /nfs/dbraw/zinc/59/82/48/992598248.db2.gz QNZWOSQZUUVJJN-CQSZACIVSA-N 1 0 247.338 2.478 20 30 BEEDRO C#CC[N@H+](CCCc1cccnc1)CC1CC1 ZINC001262235186 992813350 /nfs/dbraw/zinc/81/33/50/992813350.db2.gz XBHVKBSQRNLXFD-UHFFFAOYSA-N 1 0 228.339 2.359 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC001262361632 992858893 /nfs/dbraw/zinc/85/88/93/992858893.db2.gz SKIAHIZFTZGPGJ-QMMMGPOBSA-N 1 0 223.345 2.470 20 30 BEEDRO C#C[C@H](NC1CC([NH3+])C1)c1ccc(Cl)cc1 ZINC001574503737 992869178 /nfs/dbraw/zinc/86/91/78/992869178.db2.gz CEQPVZOCVILXOS-BPCQOVAHSA-N 1 0 234.730 2.094 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC001262566443 992919945 /nfs/dbraw/zinc/91/99/45/992919945.db2.gz PYIFYTFKSOZCFO-QPUJVOFHSA-N 1 0 241.693 2.124 20 30 BEEDRO C=C(C)CN1CC[NH2+]Cc2c(C)cccc21 ZINC001574836818 992923792 /nfs/dbraw/zinc/92/37/92/992923792.db2.gz UWJIVYWLHXFVGV-UHFFFAOYSA-N 1 0 216.328 2.481 20 30 BEEDRO C=C(C)CCC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC001574835621 992923906 /nfs/dbraw/zinc/92/39/06/992923906.db2.gz PMKZOGXTOKZXKA-CYBMUJFWSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)C(C)C ZINC001574852613 992929245 /nfs/dbraw/zinc/92/92/45/992929245.db2.gz WISVKLNVNGXVPY-SNVBAGLBSA-N 1 0 246.782 2.255 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[NH2+]CC1 ZINC001574872483 992932337 /nfs/dbraw/zinc/93/23/37/992932337.db2.gz MZXODUBCZNKNEA-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001574881379 992934128 /nfs/dbraw/zinc/93/41/28/992934128.db2.gz CIBGVFPKYXKAFI-JHJVBQTASA-N 1 0 236.359 2.071 20 30 BEEDRO C=CC[C@H](C(=O)N(CC)CC[NH3+])c1ccccc1 ZINC001574888544 992935987 /nfs/dbraw/zinc/93/59/87/992935987.db2.gz JZHPYXCDOANJGE-AWEZNQCLSA-N 1 0 246.354 2.154 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)CC1(C=C)C[NH2+]C1 ZINC001574901540 992940011 /nfs/dbraw/zinc/94/00/11/992940011.db2.gz LLUGAYSGYDIVGL-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO CC#CC[C@H]([NH3+])C(=O)N[C@H](C)CCCC(C)C ZINC001574963444 992954542 /nfs/dbraw/zinc/95/45/42/992954542.db2.gz UQLSTYMMFWOCLY-OLZOCXBDSA-N 1 0 238.375 2.058 20 30 BEEDRO C=C(C)CCC(=O)N(CC)CCC[NH+](C)C ZINC001262619549 992969604 /nfs/dbraw/zinc/96/96/04/992969604.db2.gz CEBYGSPOYWOHFM-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=C(C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001262627064 992977269 /nfs/dbraw/zinc/97/72/69/992977269.db2.gz HUESZKBZKPBEOW-YHWZYXNKSA-N 1 0 236.359 2.084 20 30 BEEDRO CC(C)(C)c1ccc(C#N)c(SCC[NH3+])n1 ZINC001575268471 993005679 /nfs/dbraw/zinc/00/56/79/993005679.db2.gz YCWYTDPQSHBHSI-UHFFFAOYSA-N 1 0 235.356 2.302 20 30 BEEDRO C=CC(C)(C)CCCNc1nccnc1C[NH3+] ZINC001262704566 993045768 /nfs/dbraw/zinc/04/57/68/993045768.db2.gz ZKXCXZAKIUTBSR-UHFFFAOYSA-N 1 0 234.347 2.340 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC001263108213 993118937 /nfs/dbraw/zinc/11/89/37/993118937.db2.gz RAXJVSFWGGAUSU-STQMWFEESA-N 1 0 238.375 2.319 20 30 BEEDRO C[C@@H](C[C@H]1CCC[NH2+]1)NCc1ccc(C#N)s1 ZINC001575940924 993132500 /nfs/dbraw/zinc/13/25/00/993132500.db2.gz DVQQQLGVELGRNF-WDEREUQCSA-N 1 0 249.383 2.240 20 30 BEEDRO C[C@H](C[C@@H]1CCC[NH2+]1)NCc1ccc(C#N)s1 ZINC001575940922 993133908 /nfs/dbraw/zinc/13/39/08/993133908.db2.gz DVQQQLGVELGRNF-MNOVXSKESA-N 1 0 249.383 2.240 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@](C)(CC)C1CC1 ZINC001263171301 993147149 /nfs/dbraw/zinc/14/71/49/993147149.db2.gz NCWJWHHJMYJBQQ-JSGCOSHPSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC=C(Cl)C1 ZINC001263233096 993175230 /nfs/dbraw/zinc/17/52/30/993175230.db2.gz HEVZRQNPYMCOOC-NSHDSACASA-N 1 0 242.750 2.025 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1csc(C#N)c1 ZINC001576117729 993185734 /nfs/dbraw/zinc/18/57/34/993185734.db2.gz UGPDOWOMTIFCCW-GXFFZTMASA-N 1 0 249.383 2.321 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001263323167 993229300 /nfs/dbraw/zinc/22/93/00/993229300.db2.gz IIMQCXXIEOIDMZ-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[C@@H]1CCC[NH2+]CC1 ZINC001263329165 993233919 /nfs/dbraw/zinc/23/39/19/993233919.db2.gz YQTWEMISOUVKTC-CYBMUJFWSA-N 1 0 238.375 2.239 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC000379602519 993262257 /nfs/dbraw/zinc/26/22/57/993262257.db2.gz LHKLRZFUYIUGDF-IJLUTSLNSA-N 1 0 210.321 2.178 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C(C1CC1)C1CC1 ZINC000379918692 993293646 /nfs/dbraw/zinc/29/36/46/993293646.db2.gz FRBLSTVFHXAUAH-GFCCVEGCSA-N 1 0 209.333 2.092 20 30 BEEDRO CC1(C)CCCN(CC[C@H]2CCC[NH2+]C2)[C@H]1C#N ZINC001576433792 993304684 /nfs/dbraw/zinc/30/46/84/993304684.db2.gz KASMAYCLTYKAPZ-KGLIPLIRSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](C)(CO)C1 ZINC000381390338 993391789 /nfs/dbraw/zinc/39/17/89/993391789.db2.gz RTMATKUQSWYBKG-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C[C@H]1CCCN(Cc2csc(C#N)c2)[C@@H]1C[NH3+] ZINC001576708540 993401272 /nfs/dbraw/zinc/40/12/72/993401272.db2.gz FRQAAHFBDWLHLD-GXFFZTMASA-N 1 0 249.383 2.179 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C(C)(C)CC)CC1 ZINC001263621307 993427989 /nfs/dbraw/zinc/42/79/89/993427989.db2.gz XTNMPWXKPAWZIH-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)[C@@H](C)N1Cc1ccc(C#N)s1 ZINC001576880786 993441070 /nfs/dbraw/zinc/44/10/70/993441070.db2.gz IOSALUZTLBMKIY-OUAUKWLOSA-N 1 0 249.383 2.190 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC001263725764 993477015 /nfs/dbraw/zinc/47/70/15/993477015.db2.gz NVUCJVBETKQWAF-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000384138671 993548349 /nfs/dbraw/zinc/54/83/49/993548349.db2.gz FEOFCDXACWWEIS-HUUCEWRRSA-N 1 0 231.339 2.286 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000384138668 993548517 /nfs/dbraw/zinc/54/85/17/993548517.db2.gz FEOFCDXACWWEIS-CABCVRRESA-N 1 0 231.339 2.286 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC000384233284 993561077 /nfs/dbraw/zinc/56/10/77/993561077.db2.gz YETHYVQLILDKDA-HUUCEWRRSA-N 1 0 247.338 2.120 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1cccc(OC)c1 ZINC000384233279 993561366 /nfs/dbraw/zinc/56/13/66/993561366.db2.gz YETHYVQLILDKDA-CABCVRRESA-N 1 0 247.338 2.120 20 30 BEEDRO C=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC ZINC001263945909 993615045 /nfs/dbraw/zinc/61/50/45/993615045.db2.gz MBJJSKWMTSOXEF-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N1CC(F)C1 ZINC001577426429 993665212 /nfs/dbraw/zinc/66/52/12/993665212.db2.gz ONGYHIZOZOKEPP-GFCCVEGCSA-N 1 0 244.354 2.245 20 30 BEEDRO C=CCCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=C)C)C1 ZINC001264415975 993722414 /nfs/dbraw/zinc/72/24/14/993722414.db2.gz KGMCJTPGDQVRQK-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H](C)CC)C1 ZINC001264419952 993725649 /nfs/dbraw/zinc/72/56/49/993725649.db2.gz KFARDWKAYAVZHN-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C1CC(CNC(=O)[C@H](C)CC)C1 ZINC001264769963 993750803 /nfs/dbraw/zinc/75/08/03/993750803.db2.gz FUTNBACQZMZAFN-PNESKVBLSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CCCC(=O)OCC ZINC000390527788 993796546 /nfs/dbraw/zinc/79/65/46/993796546.db2.gz HLCZTNCSWUPDJJ-GFCCVEGCSA-N 1 0 225.332 2.111 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCNC[C@H]1CCC ZINC000390767653 993803549 /nfs/dbraw/zinc/80/35/49/993803549.db2.gz SFXBPMRVFAPBOO-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000390760200 993803594 /nfs/dbraw/zinc/80/35/94/993803594.db2.gz LZDINDRDWFAISY-MWLCHTKSSA-N 1 0 231.324 2.402 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C(C)C ZINC001265080012 993812897 /nfs/dbraw/zinc/81/28/97/993812897.db2.gz NFNFSFRMEHLQLL-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](C[C@@H](C)CC)C1 ZINC001265276063 993829700 /nfs/dbraw/zinc/82/97/00/993829700.db2.gz YIMBXQHXYHSLNY-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC(C)C)C1 ZINC001265267808 993830952 /nfs/dbraw/zinc/83/09/52/993830952.db2.gz CJEJEXCZPHQGMH-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1ccc(C[N@@H+](C)C2CCOCC2)cc1C#N ZINC000700720280 993848209 /nfs/dbraw/zinc/84/82/09/993848209.db2.gz RWNQYGHIORIXLG-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CCC)C1 ZINC001265424630 993855503 /nfs/dbraw/zinc/85/55/03/993855503.db2.gz XBPDKSJMLNRPJG-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCCC)C1 ZINC001265465411 993861917 /nfs/dbraw/zinc/86/19/17/993861917.db2.gz BIYVLGRRJKHSOL-JOCQHMNTSA-N 1 0 238.375 2.380 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1CNC(=O)CC ZINC001265637213 993888222 /nfs/dbraw/zinc/88/82/22/993888222.db2.gz UIOIHAXYFZDGCN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1ccc(CN(C)C[C@@H]2CCC[NH2+]2)cc1C#N ZINC000701815157 993914890 /nfs/dbraw/zinc/91/48/90/993914890.db2.gz AKGUOXXIKYYVRS-HNNXBMFYSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)cc1C#N ZINC000701829856 993916228 /nfs/dbraw/zinc/91/62/28/993916228.db2.gz KWXMUJULIDSCFB-OAHLLOKOSA-N 1 0 244.338 2.071 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H](C)CCC ZINC001265761637 993931912 /nfs/dbraw/zinc/93/19/12/993931912.db2.gz YBXQLZMYCHCKBH-VXGBXAGGSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)C=C1CCC1 ZINC001265762962 993934129 /nfs/dbraw/zinc/93/41/29/993934129.db2.gz FHLKFFAEKHNRRM-GFCCVEGCSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001265808810 993947513 /nfs/dbraw/zinc/94/75/13/993947513.db2.gz LPQQVXGSWGWMGX-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@@H](C)c1ccccc1 ZINC001265850483 993959121 /nfs/dbraw/zinc/95/91/21/993959121.db2.gz HFFHKTAGGBIOFJ-OLZOCXBDSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)C(C)(C)C ZINC001265852619 993959159 /nfs/dbraw/zinc/95/91/59/993959159.db2.gz GLVREWQOEOHKQY-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccccc1)C(C)(C)C ZINC000702284145 993979795 /nfs/dbraw/zinc/97/97/95/993979795.db2.gz DMFJYYRBJUXECS-KGLIPLIRSA-N 1 0 231.339 2.358 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C(C)(C)C ZINC000702301711 993982879 /nfs/dbraw/zinc/98/28/79/993982879.db2.gz BHEZLEUKNYFEEP-KGLIPLIRSA-N 1 0 249.329 2.497 20 30 BEEDRO CCOC(C)(C)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000702670247 994033429 /nfs/dbraw/zinc/03/34/29/994033429.db2.gz CLXXIKBONUEAEM-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC ZINC001316606632 994133882 /nfs/dbraw/zinc/13/38/82/994133882.db2.gz WYHGASZJMCIKBN-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@@H]1CC[N@H+]1CCC ZINC001316607584 994134594 /nfs/dbraw/zinc/13/45/94/994134594.db2.gz SNXQXNCUMSIERJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)CCC(C)C)C[C@@H]1C ZINC001281374543 994157173 /nfs/dbraw/zinc/15/71/73/994157173.db2.gz QQYSDLWAHBMEQT-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC1(C)C ZINC001281707791 994175030 /nfs/dbraw/zinc/17/50/30/994175030.db2.gz QKDQXHWBFFWHJO-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)CC ZINC001281919493 994180241 /nfs/dbraw/zinc/18/02/41/994180241.db2.gz OEDFPJOELYGCCC-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[NH2+]CC1CC(NC(=O)CCC=C)C1 ZINC001281991602 994186720 /nfs/dbraw/zinc/18/67/20/994186720.db2.gz KSOHAPRXDJATTI-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cccs1 ZINC001282083916 994191765 /nfs/dbraw/zinc/19/17/65/994191765.db2.gz 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C=C[C@H](COC)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC001333597061 994480159 /nfs/dbraw/zinc/48/01/59/994480159.db2.gz SHRSVSZFNCXTGK-DGCLKSJQSA-N 1 0 249.358 2.460 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1CC ZINC001491585820 994991093 /nfs/dbraw/zinc/99/10/93/994991093.db2.gz SQLHTDOFDXZBDF-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)CCC1(C)CC1 ZINC001491627811 994991553 /nfs/dbraw/zinc/99/15/53/994991553.db2.gz OZGFRSMUPMGGJV-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[C@H](C[NH2+]CC)C1 ZINC001491824844 995004972 /nfs/dbraw/zinc/00/49/72/995004972.db2.gz AMJQDPKSLUTDIU-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@H](C)CC ZINC001492012882 995017957 /nfs/dbraw/zinc/01/79/57/995017957.db2.gz FGPIOJFIHSZCRU-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@H](C)CCCC ZINC001492239603 995046443 /nfs/dbraw/zinc/04/64/43/995046443.db2.gz UBWQICNITRRLOL-GFCCVEGCSA-N 1 0 226.364 2.047 20 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/nfs/dbraw/zinc/36/76/94/1171367694.db2.gz JMJGJTSHYIPSDH-UHFFFAOYSA-N 1 0 248.326 2.065 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H](C)CC1 ZINC001634291147 1171639888 /nfs/dbraw/zinc/63/98/88/1171639888.db2.gz FDVKCVDCNLFOHU-WCQYABFASA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c(C)cnn1C ZINC000394876989 398137791 /nfs/dbraw/zinc/13/77/91/398137791.db2.gz FIJVJKYPDSYMPC-UHFFFAOYSA-N 1 0 207.321 2.030 20 30 BEEDRO C[C@@H](CC#N)N(C)CCC[NH+]1CCCCC1 ZINC000161410396 349440467 /nfs/dbraw/zinc/44/04/67/349440467.db2.gz GLMUIDIBIWQUSB-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C[C@H](CC#N)N(C)CCC[NH+]1CCCCC1 ZINC000161410517 349440696 /nfs/dbraw/zinc/44/06/96/349440696.db2.gz GLMUIDIBIWQUSB-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CCNC(N[C@@H]1C[C@@H]1c1cccc(F)c1)=[NH+]CC ZINC000066244155 136210828 /nfs/dbraw/zinc/21/08/28/136210828.db2.gz MJEZSSJMXLWSFU-CHWSQXEVSA-N 1 0 249.333 2.257 20 30 BEEDRO Cc1cc(C)c(CCNC(=[NH2+])NC2CC2)c(C)c1 ZINC000066243622 136210857 /nfs/dbraw/zinc/21/08/57/136210857.db2.gz KJKJGUFEUGHBCM-UHFFFAOYSA-N 1 0 245.370 2.221 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1F ZINC000421356832 192321725 /nfs/dbraw/zinc/32/17/25/192321725.db2.gz MCYQENPKSUHMHR-ONGXEEELSA-N 1 0 240.228 2.441 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000649322001 398143722 /nfs/dbraw/zinc/14/37/22/398143722.db2.gz VIBSKCORCBGEBD-CVEARBPZSA-N 1 0 245.366 2.488 20 30 BEEDRO C=CC1CC[NH+](CCCn2ccnc2C)CC1 ZINC000161779047 349505174 /nfs/dbraw/zinc/50/51/74/349505174.db2.gz GSDJKXYRQAVXEC-UHFFFAOYSA-N 1 0 233.359 2.480 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cn(CC=C)nn1)C1CC1 ZINC000424292269 398180152 /nfs/dbraw/zinc/18/01/52/398180152.db2.gz GFLQODXHRSEUHT-CQSZACIVSA-N 1 0 246.358 2.299 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cn(CC=C)nn1)C1CC1 ZINC000424292267 398180206 /nfs/dbraw/zinc/18/02/06/398180206.db2.gz GFLQODXHRSEUHT-AWEZNQCLSA-N 1 0 246.358 2.299 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CCc2ccccc21)N(C)C ZINC000178574628 136217391 /nfs/dbraw/zinc/21/73/91/136217391.db2.gz DUOPCPIEGZFMHK-ZDUSSCGKSA-N 1 0 245.370 2.196 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309075699 136217431 /nfs/dbraw/zinc/21/74/31/136217431.db2.gz KDUIOBCSTYREQR-OUAUKWLOSA-N 1 0 229.389 2.043 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274768633 398163469 /nfs/dbraw/zinc/16/34/69/398163469.db2.gz LYTWPMPCNRXPAO-GXSJLCMTSA-N 1 0 240.734 2.323 20 30 BEEDRO CC#CC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000161914369 349515283 /nfs/dbraw/zinc/51/52/83/349515283.db2.gz HHKMSXWWTCJWKF-UHFFFAOYSA-N 1 0 237.734 2.197 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCC2(O)CCC2)cc1 ZINC000421379429 192323650 /nfs/dbraw/zinc/32/36/50/192323650.db2.gz UQDZKAOABABIAV-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000649929668 398190434 /nfs/dbraw/zinc/19/04/34/398190434.db2.gz DIJMYJQNXBSCJU-BYNSBNAKSA-N 1 0 235.371 2.414 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000649968960 398199572 /nfs/dbraw/zinc/19/95/72/398199572.db2.gz VHANSZRJRBBKIQ-QJPTWQEYSA-N 1 0 209.333 2.191 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(OC)CCCC1 ZINC000309163426 136217758 /nfs/dbraw/zinc/21/77/58/136217758.db2.gz HYVHHXICHAZQLZ-NSHDSACASA-N 1 0 210.321 2.227 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000309368042 136217909 /nfs/dbraw/zinc/21/79/09/136217909.db2.gz PWMKMRAFJPMINB-UHFFFAOYSA-N 1 0 212.296 2.370 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000649390421 398194794 /nfs/dbraw/zinc/19/47/94/398194794.db2.gz UQKCZCWWHZHIKT-HNNXBMFYSA-N 1 0 248.370 2.121 20 30 BEEDRO CO[C@H]1CCCC[C@H]1[NH2+]CCCSCC#N ZINC000309497509 136218901 /nfs/dbraw/zinc/21/89/01/136218901.db2.gz YVVSMBHKGBHAKC-NEPJUHHUSA-N 1 0 242.388 2.180 20 30 BEEDRO C=C(CC)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000163143023 538926491 /nfs/dbraw/zinc/92/64/91/538926491.db2.gz ZZPLVGPKIAGTBQ-CQSZACIVSA-N 1 0 219.328 2.450 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000336750133 136219684 /nfs/dbraw/zinc/21/96/84/136219684.db2.gz FPYSPBFEGZLQTR-NEPJUHHUSA-N 1 0 229.389 2.310 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000649976789 398204385 /nfs/dbraw/zinc/20/43/85/398204385.db2.gz RALQHKOMMBQUDM-DGAVXFQQSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1C[C@H](OCC)[C@@H]1OC ZINC000309936467 136220061 /nfs/dbraw/zinc/22/00/61/136220061.db2.gz ADZVSEXJCXZILP-QNWHQSFQSA-N 1 0 227.348 2.123 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCCO1 ZINC000336753057 136220186 /nfs/dbraw/zinc/22/01/86/136220186.db2.gz WEQPYOUGQWBELX-LOWDOPEQSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415945229 398209060 /nfs/dbraw/zinc/20/90/60/398209060.db2.gz CEBGEICASKZJDA-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C=CCC[C@H]([NH2+]CCN(C)C)c1ccco1 ZINC000309497112 136218851 /nfs/dbraw/zinc/21/88/51/136218851.db2.gz YQDUEGXVSKWMHP-LBPRGKRZSA-N 1 0 222.332 2.438 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000335621549 398217904 /nfs/dbraw/zinc/21/79/04/398217904.db2.gz IIVDKSLYEKVKJG-SECBINFHSA-N 1 0 221.329 2.293 20 30 BEEDRO Cc1cc(NCC[N@@H+](C)C(C)C)cc(C#N)n1 ZINC000308273644 178160551 /nfs/dbraw/zinc/16/05/51/178160551.db2.gz IQRFZICKSGEBEP-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CC#CCC[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000364528397 136221428 /nfs/dbraw/zinc/22/14/28/136221428.db2.gz LGRCTDGGRYMZNW-UHFFFAOYSA-N 1 0 247.342 2.145 20 30 BEEDRO CC[C@H]1C[N@H+](CCCCC#N)C[C@H](C)O1 ZINC000111276659 136221481 /nfs/dbraw/zinc/22/14/81/136221481.db2.gz WNCAWFAARKZSPB-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC1(C)CC1 ZINC000380358923 398220433 /nfs/dbraw/zinc/22/04/33/398220433.db2.gz XNAFYQCSDUHMAX-VXGBXAGGSA-N 1 0 209.333 2.357 20 30 BEEDRO N#Cc1cc(F)cc(C[NH+]2CCCC2)c1 ZINC000163524145 538929200 /nfs/dbraw/zinc/92/92/00/538929200.db2.gz ACEZZEBHINJXOV-UHFFFAOYSA-N 1 0 204.248 2.293 20 30 BEEDRO N#Cc1cccc(C2(NCC3(C#N)CC3)CC2)c1 ZINC000341970808 136222692 /nfs/dbraw/zinc/22/26/92/136222692.db2.gz DBQKVLWWTHFBOK-UHFFFAOYSA-N 1 0 237.306 2.441 20 30 BEEDRO C=CCCCC[N@H+]1CCn2cc(C)nc2C1 ZINC000649421050 398224140 /nfs/dbraw/zinc/22/41/40/398224140.db2.gz VCNVABMQQPERJL-UHFFFAOYSA-N 1 0 219.332 2.363 20 30 BEEDRO C=C(Br)C[N@H+]1CCC[C@@H]1C ZINC000076116434 398226619 /nfs/dbraw/zinc/22/66/19/398226619.db2.gz WWWSRXIWQGPMGR-QMMMGPOBSA-N 1 0 204.111 2.379 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1C ZINC000076115892 398226828 /nfs/dbraw/zinc/22/68/28/398226828.db2.gz TVEOBCCGPVQGRH-OLZOCXBDSA-N 1 0 236.359 2.060 20 30 BEEDRO C[C@]1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCOC1 ZINC000403992758 259303104 /nfs/dbraw/zinc/30/31/04/259303104.db2.gz JVBAJSYUDYZCIL-CQSZACIVSA-N 1 0 248.301 2.214 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C1CCN(OC)CC1 ZINC000421404486 192330129 /nfs/dbraw/zinc/33/01/29/192330129.db2.gz YTOMMDATFUTJKI-LBPRGKRZSA-N 1 0 226.364 2.347 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@]12CCOC2 ZINC000421401044 192331592 /nfs/dbraw/zinc/33/15/92/192331592.db2.gz KYONSUQFSKDLKV-CYBMUJFWSA-N 1 0 222.332 2.181 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1F ZINC000421364454 192333679 /nfs/dbraw/zinc/33/36/79/192333679.db2.gz OLUHNNLKOBKHIG-BNOWGMLFSA-N 1 0 246.285 2.107 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1nn(C)c(C)c1Cl ZINC000421369032 192334818 /nfs/dbraw/zinc/33/48/18/192334818.db2.gz VQFBEQNDMXBFBU-QMMMGPOBSA-N 1 0 227.739 2.436 20 30 BEEDRO CCCCC[N@H+](CCO)C[C@H](C)CCC#N ZINC000602438979 349525560 /nfs/dbraw/zinc/52/55/60/349525560.db2.gz UAEWUJSONRKQBU-CYBMUJFWSA-N 1 0 226.364 2.411 20 30 BEEDRO C#CCCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000281636109 398237860 /nfs/dbraw/zinc/23/78/60/398237860.db2.gz IPVRCGOZYOXKCD-INIZCTEOSA-N 1 0 243.350 2.214 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CCN(CCC#N)CC1CC1 ZINC000161985343 349527937 /nfs/dbraw/zinc/52/79/37/349527937.db2.gz ZFWBMXSNSJJWQS-CQSZACIVSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](CO)COC(C)C ZINC000580516807 398238290 /nfs/dbraw/zinc/23/82/90/398238290.db2.gz OVZPESNILZNBFH-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000335286022 398238500 /nfs/dbraw/zinc/23/85/00/398238500.db2.gz LZDINDRDWFAISY-KOLCDFICSA-N 1 0 231.324 2.402 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000335801245 398241853 /nfs/dbraw/zinc/24/18/53/398241853.db2.gz WUPUUMZZKZNRPX-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304679 398243189 /nfs/dbraw/zinc/24/31/89/398243189.db2.gz KLTYACGPNKRSRW-CQSZACIVSA-N 1 0 231.339 2.283 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000320416618 398243272 /nfs/dbraw/zinc/24/32/72/398243272.db2.gz RPBRUIWCADMDJV-OLZOCXBDSA-N 1 0 247.338 2.079 20 30 BEEDRO C=CC[N@@H+](C)CCCc1nccn1CCC ZINC000191483922 136227896 /nfs/dbraw/zinc/22/78/96/136227896.db2.gz YRLMPNXFBRJFCQ-UHFFFAOYSA-N 1 0 221.348 2.344 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CCO)C1CCCC1 ZINC000602427721 349533432 /nfs/dbraw/zinc/53/34/32/349533432.db2.gz JKTFOOKLDUIOGV-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCOC1 ZINC000337223579 398240873 /nfs/dbraw/zinc/24/08/73/398240873.db2.gz ODQNADQRIDBKLG-MFKMUULPSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@@H](O)C(C)C ZINC000292803237 136229096 /nfs/dbraw/zinc/22/90/96/136229096.db2.gz BPSOARZMTXTDDW-CQSZACIVSA-N 1 0 237.343 2.327 20 30 BEEDRO Cc1[nH+]c2cc(NCCC#N)ccc2n1C ZINC000258959804 349535810 /nfs/dbraw/zinc/53/58/10/349535810.db2.gz SRHLXWNSEJOBSU-UHFFFAOYSA-N 1 0 214.272 2.207 20 30 BEEDRO C=C(C)CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000576567088 365626332 /nfs/dbraw/zinc/62/63/32/365626332.db2.gz FGRLURUNVTUSTJ-UHFFFAOYSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](CCO)Cc1ccccc1 ZINC000602429265 349533811 /nfs/dbraw/zinc/53/38/11/349533811.db2.gz OFYDYKUJWFXNKJ-AWEZNQCLSA-N 1 0 246.354 2.421 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CCCCO)C1CC1 ZINC000602470691 349542145 /nfs/dbraw/zinc/54/21/45/349542145.db2.gz CHZBUJLLPLGMCO-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000176077419 365658184 /nfs/dbraw/zinc/65/81/84/365658184.db2.gz IHJFAGZKVOUOFH-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC000629979207 361825265 /nfs/dbraw/zinc/82/52/65/361825265.db2.gz TZQHQENVHAJGKH-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCSC[C@@H]1C ZINC000602467653 349539904 /nfs/dbraw/zinc/53/99/04/349539904.db2.gz HTXJRFHGQCXCLH-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000343516456 136230979 /nfs/dbraw/zinc/23/09/79/136230979.db2.gz RIXFTJKGCCRQJG-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO CC[N@H+](CCC[C@@H]1CCO1)C[C@@H](C)C#N ZINC000602446972 349547277 /nfs/dbraw/zinc/54/72/77/349547277.db2.gz JHECDGSTIASEGI-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[C@@H](C[N@H+](CC)C[C@H](C)C#N)OC ZINC000602446999 349547510 /nfs/dbraw/zinc/54/75/10/349547510.db2.gz KBWQMTSITDCFFQ-NEPJUHHUSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[N@H+](CCC[C@@H]1CCO1)C[C@H](C)C#N ZINC000602446974 349547585 /nfs/dbraw/zinc/54/75/85/349547585.db2.gz JHECDGSTIASEGI-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@](C)(OC)C1CC1 ZINC000602446556 349547649 /nfs/dbraw/zinc/54/76/49/349547649.db2.gz GRFOHWZVKCTSET-WCQYABFASA-N 1 0 224.348 2.283 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@](C)(OC)C1CC1 ZINC000602446557 349547774 /nfs/dbraw/zinc/54/77/74/349547774.db2.gz GRFOHWZVKCTSET-YPMHNXCESA-N 1 0 224.348 2.283 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@H]1CCCO1 ZINC000602448618 349549625 /nfs/dbraw/zinc/54/96/25/349549625.db2.gz JPJOHRKTADLWFO-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)C[C@H]1CCCO1 ZINC000602448620 349549632 /nfs/dbraw/zinc/54/96/32/349549632.db2.gz JPJOHRKTADLWFO-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1CN1CCCC1 ZINC000602449089 349550032 /nfs/dbraw/zinc/55/00/32/349550032.db2.gz CBDAAOSZMBFOPR-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1C[C@@H](C)CCC#N ZINC000602449370 349551117 /nfs/dbraw/zinc/55/11/17/349551117.db2.gz ZPZGOIHVTYNUPU-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@H](C)CCC#N)C[C@H](C)O1 ZINC000602451659 349552754 /nfs/dbraw/zinc/55/27/54/349552754.db2.gz AZMIRHYAFHNUHH-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](O)C1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602458954 349554407 /nfs/dbraw/zinc/55/44/07/349554407.db2.gz RNCUPQTUOMNUCQ-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1ccc(C#N)c(NCC(C)(C)C[NH+](C)C)n1 ZINC000044419359 178362942 /nfs/dbraw/zinc/36/29/42/178362942.db2.gz AJTHGVSXGABIOR-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO C=CCOCC[NH2+]C1(c2cccc(OC)c2)CC1 ZINC000294581964 398263404 /nfs/dbraw/zinc/26/34/04/398263404.db2.gz MRNNRJHIVJISNU-UHFFFAOYSA-N 1 0 247.338 2.477 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](CCO)CC(C)(C)C ZINC000602461300 349555706 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/nfs/dbraw/zinc/36/41/58/178364158.db2.gz BUCVDQVBIPWRES-CQSZACIVSA-N 1 0 244.342 2.063 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCN(C2CCC2)CC1 ZINC000602470171 349542319 /nfs/dbraw/zinc/54/23/19/349542319.db2.gz XEXFBOGIKOCLSD-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC(C)(C)CNC(=O)CCCC[NH+](C)C ZINC000576823983 365683847 /nfs/dbraw/zinc/68/38/47/365683847.db2.gz FBWNQVDOFYFQOW-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000602474611 349562421 /nfs/dbraw/zinc/56/24/21/349562421.db2.gz QKFRRIWVFIZUPN-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCOC[C@H]1C ZINC000602476214 349563143 /nfs/dbraw/zinc/56/31/43/349563143.db2.gz WPOMZOVWHYTIPG-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000162100199 349564266 /nfs/dbraw/zinc/56/42/66/349564266.db2.gz UYEVAKMTAARCHO-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000602485369 349567014 /nfs/dbraw/zinc/56/70/14/349567014.db2.gz ODQVFTOXZKPJJB-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)OCCC[NH2+]C[C@@H](C)CCC#N ZINC000602499618 349559504 /nfs/dbraw/zinc/55/95/04/349559504.db2.gz RHUKEHLSCCZOIK-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000378757251 346825581 /nfs/dbraw/zinc/82/55/81/346825581.db2.gz SYULZOPJWOQEDJ-SYEHKZFSSA-N 1 0 204.317 2.314 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCCCO1 ZINC000602523495 349576830 /nfs/dbraw/zinc/57/68/30/349576830.db2.gz YVMDPJFGPPQEJP-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO CCC[C@@H]1C[NH2+]CCN1Cc1cccc(C#N)c1 ZINC000517376415 259314731 /nfs/dbraw/zinc/31/47/31/259314731.db2.gz KFGNFQAYVFPUAE-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(O)c1 ZINC000602528162 349578122 /nfs/dbraw/zinc/57/81/22/349578122.db2.gz POVUJSVZNYZHQU-NSHDSACASA-N 1 0 218.300 2.422 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)c1ccccc1 ZINC000602547502 349590490 /nfs/dbraw/zinc/59/04/90/349590490.db2.gz PWIGNHUAXALXDM-TZMCWYRMSA-N 1 0 232.327 2.249 20 30 BEEDRO CCN1CCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602506564 349582834 /nfs/dbraw/zinc/58/28/34/349582834.db2.gz DIUQECGNYHKALQ-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO CCN(CC)C[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602547166 349590159 /nfs/dbraw/zinc/59/01/59/349590159.db2.gz AYMZUMCSYOSCCM-IYXRBSQSSA-N 1 0 237.391 2.389 20 30 BEEDRO COc1ncccc1C[NH2+]C[C@H](C)CCC#N ZINC000602507074 349583321 /nfs/dbraw/zinc/58/33/21/349583321.db2.gz AAJREAUMDVZANX-LLVKDONJSA-N 1 0 233.315 2.120 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+]C[C@@H](C)CCC#N ZINC000602509983 349584116 /nfs/dbraw/zinc/58/41/16/349584116.db2.gz IZMYXUCHZBPERE-NSHDSACASA-N 1 0 234.347 2.180 20 30 BEEDRO COC[C@H]([NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602547738 349590187 /nfs/dbraw/zinc/59/01/87/349590187.db2.gz NNNWUTNHTQMXLQ-RYUDHWBXSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC[C@H]1CCCO1 ZINC000602512342 349586229 /nfs/dbraw/zinc/58/62/29/349586229.db2.gz TVZNDVFXXFDYTJ-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)c1ccccc1 ZINC000602547501 349590234 /nfs/dbraw/zinc/59/02/34/349590234.db2.gz PWIGNHUAXALXDM-OCCSQVGLSA-N 1 0 232.327 2.249 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC[C@@H](C)C1 ZINC000602514580 349587116 /nfs/dbraw/zinc/58/71/16/349587116.db2.gz LCCNYGGNDXNJQV-ZIAGYGMSSA-N 1 0 237.391 2.248 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+]C[C@H](C)CCC#N ZINC000602547566 349590353 /nfs/dbraw/zinc/59/03/53/349590353.db2.gz ZGCFAEPMDKZYNX-FRRDWIJNSA-N 1 0 226.364 2.313 20 30 BEEDRO COC[C@H]([NH2+]C1CCC(C#N)CC1)C(C)C ZINC000602546218 349589773 /nfs/dbraw/zinc/58/97/73/349589773.db2.gz HWXOWEFMDGPVJV-BPCQOVAHSA-N 1 0 224.348 2.329 20 30 BEEDRO Cc1noc(C)c1C[NH2+]C[C@H](C)CCC#N ZINC000602520549 349574903 /nfs/dbraw/zinc/57/49/03/349574903.db2.gz HZABYVZGDOIHAK-SECBINFHSA-N 1 0 221.304 2.321 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)[C@H]1CCOC1 ZINC000602557912 349598610 /nfs/dbraw/zinc/59/86/10/349598610.db2.gz MISCHLOLIVWARS-QCXCNERSSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)[C@@H]1CCOC1 ZINC000602557909 349598629 /nfs/dbraw/zinc/59/86/29/349598629.db2.gz MISCHLOLIVWARS-CQLXCSJHSA-N 1 0 222.332 2.083 20 30 BEEDRO CCn1cc(C[NH2+]C2CCC(C#N)CC2)cn1 ZINC000602557983 349598640 /nfs/dbraw/zinc/59/86/40/349598640.db2.gz QQIBBGOBKGMYHH-UHFFFAOYSA-N 1 0 232.331 2.075 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](O)CC(C)(C)C ZINC000602560610 349599973 /nfs/dbraw/zinc/59/99/73/349599973.db2.gz YXMIHMXGTKXWBI-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO COC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602561394 349600749 /nfs/dbraw/zinc/60/07/49/349600749.db2.gz PKWGKHMXHPZSDM-UHFFFAOYSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1nccs1 ZINC000602533104 349601226 /nfs/dbraw/zinc/60/12/26/349601226.db2.gz NYUJEURPYJPGHW-JTQLQIEISA-N 1 0 223.345 2.215 20 30 BEEDRO C=CCN1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602538721 349604772 /nfs/dbraw/zinc/60/47/72/349604772.db2.gz HJAAVXXTKRGIRR-ZDUSSCGKSA-N 1 0 235.375 2.166 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)C1CCCCC1 ZINC000602534283 349602342 /nfs/dbraw/zinc/60/23/42/349602342.db2.gz RWMVYBXYWAOVDI-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000602548199 349591012 /nfs/dbraw/zinc/59/10/12/349591012.db2.gz RRIYLMGHXRTONO-LLVKDONJSA-N 1 0 234.347 2.185 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)C[C@H](C)O ZINC000602551629 349593465 /nfs/dbraw/zinc/59/34/65/349593465.db2.gz QTHLXSZZWNZOQX-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000602551827 349593886 /nfs/dbraw/zinc/59/38/86/349593886.db2.gz KDXLERURSFRCTP-FKZOYECMSA-N 1 0 236.359 2.209 20 30 BEEDRO CCC[C@H](CCO)C[NH2+]C[C@H](C)CCC#N ZINC000602556981 349597438 /nfs/dbraw/zinc/59/74/38/349597438.db2.gz HXMDGPFAPDCCTP-CHWSQXEVSA-N 1 0 226.364 2.315 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc(F)c1N ZINC000602541580 349606147 /nfs/dbraw/zinc/60/61/47/349606147.db2.gz QGYTYLKRGVFXKL-UHFFFAOYSA-N 1 0 221.279 2.191 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602577167 349606758 /nfs/dbraw/zinc/60/67/58/349606758.db2.gz UIFVMLFRGGFRPH-XVSSEFHLSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602577166 349606866 /nfs/dbraw/zinc/60/68/66/349606866.db2.gz UIFVMLFRGGFRPH-WTIISPKJSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCOCC[NH2+]C1CCC(C#N)CC1 ZINC000602579152 349607852 /nfs/dbraw/zinc/60/78/52/349607852.db2.gz BCBMKQWTXGPISC-UHFFFAOYSA-N 1 0 222.332 2.251 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCOCC1 ZINC000602582065 349610237 /nfs/dbraw/zinc/61/02/37/349610237.db2.gz NIFHHUBPOXUKTO-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602583728 349611055 /nfs/dbraw/zinc/61/10/55/349611055.db2.gz SBPUREWWWPUIQF-YNEHKIRRSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000186709013 342717961 /nfs/dbraw/zinc/71/79/61/342717961.db2.gz YWZQICYXPOSAHM-AAEUAGOBSA-N 1 0 237.347 2.052 20 30 BEEDRO C[C@]1(CN2CC[C@](F)(C#N)C2)CCCS1 ZINC000600150189 342691252 /nfs/dbraw/zinc/69/12/52/342691252.db2.gz AYXRQYPZQRFKDJ-MNOVXSKESA-N 1 0 228.336 2.210 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(C(=O)OCC)n1 ZINC000600153102 342691897 /nfs/dbraw/zinc/69/18/97/342691897.db2.gz XWABGJFPDIQVTJ-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cnc(C)o1 ZINC000600177297 342696353 /nfs/dbraw/zinc/69/63/53/342696353.db2.gz JTNWQKRISSYVEJ-UHFFFAOYSA-N 1 0 226.345 2.382 20 30 BEEDRO C[C@@]1(C[NH+]2CC(CC#N)C2)CCCS1 ZINC000600180978 342697176 /nfs/dbraw/zinc/69/71/76/342697176.db2.gz OUCSJSSYAZOLDR-NSHDSACASA-N 1 0 210.346 2.118 20 30 BEEDRO C=C(C)CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418499207 192042213 /nfs/dbraw/zinc/04/22/13/192042213.db2.gz XZJFYPKRADKDRQ-NSHDSACASA-N 1 0 247.342 2.082 20 30 BEEDRO C=C[C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418496020 192042463 /nfs/dbraw/zinc/04/24/63/192042463.db2.gz UYJCTRQASBBCSW-WDEREUQCSA-N 1 0 247.342 2.080 20 30 BEEDRO CCN(CCc1cccc(C)n1)C[C@H](C)C#N ZINC000399737526 342742368 /nfs/dbraw/zinc/74/23/68/342742368.db2.gz VOCRUYLPLCTJEJ-GFCCVEGCSA-N 1 0 231.343 2.414 20 30 BEEDRO COc1cc(C)c(C[NH2+]CCCC#N)cc1OC ZINC000259004388 536575184 /nfs/dbraw/zinc/57/51/84/536575184.db2.gz ZIQNPLBZVSGDPC-UHFFFAOYSA-N 1 0 248.326 2.406 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000309594809 342729753 /nfs/dbraw/zinc/72/97/53/342729753.db2.gz VWEFHPLAINLKLO-GHMZBOCLSA-N 1 0 217.316 2.477 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000335603995 136236061 /nfs/dbraw/zinc/23/60/61/136236061.db2.gz BLUFHRIXIMJKGW-MFKMUULPSA-N 1 0 232.352 2.399 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCCc3cn[nH]c32)CC1 ZINC000602571393 349621847 /nfs/dbraw/zinc/62/18/47/349621847.db2.gz LYONBDBEZULOJF-GDKBPFBDSA-N 1 0 244.342 2.459 20 30 BEEDRO CC#CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000607727292 342782590 /nfs/dbraw/zinc/78/25/90/342782590.db2.gz XDOOOFANXWKKOZ-GJZGRUSLSA-N 1 0 240.350 2.078 20 30 BEEDRO C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602568719 349620298 /nfs/dbraw/zinc/62/02/98/349620298.db2.gz LFNKMZRLTQUZIH-CLTVBZQCSA-N 1 0 247.386 2.141 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000602568736 349620328 /nfs/dbraw/zinc/62/03/28/349620328.db2.gz LRRLCHCGRYICRC-RWMBFGLXSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C1CCC(C#N)CC1 ZINC000602570230 349620926 /nfs/dbraw/zinc/62/09/26/349620926.db2.gz SVPXHRGQQKRVRY-ZIHBUVQPSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)CC(C)(C)C ZINC000602575219 349623821 /nfs/dbraw/zinc/62/38/21/349623821.db2.gz PCZWCQBUXXYTBD-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000378805346 538974374 /nfs/dbraw/zinc/97/43/74/538974374.db2.gz WPWVMKKYMDSLCO-AGIUHOORSA-N 1 0 209.333 2.336 20 30 BEEDRO CCC[C@H](C[NH+]1CCC(C)(C#N)CC1)OC ZINC000602603724 349626195 /nfs/dbraw/zinc/62/61/95/349626195.db2.gz DUTBYVAVWDSJMZ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO COC1(C[NH2+]CC(C)(C)C#N)CCCC1 ZINC000336762921 342831241 /nfs/dbraw/zinc/83/12/41/342831241.db2.gz OILZWXMCXOFRBM-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO CC(C)[C@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602605447 349627342 /nfs/dbraw/zinc/62/73/42/349627342.db2.gz QYJMLVCAGIFUTK-QWHCGFSZSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000390646817 539026793 /nfs/dbraw/zinc/02/67/93/539026793.db2.gz OEEONNYETWIZQQ-OLZOCXBDSA-N 1 0 216.328 2.429 20 30 BEEDRO CCC#C[C@@H](C)Sc1nc(C)cc(N)n1 ZINC000389645631 539016859 /nfs/dbraw/zinc/01/68/59/539016859.db2.gz SQNBDJBPCWOVRU-SECBINFHSA-N 1 0 221.329 2.092 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC1CCC1 ZINC000389981090 539019349 /nfs/dbraw/zinc/01/93/49/539019349.db2.gz IZJRIRAKBHHCMO-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)Cc1ccsc1 ZINC000389995013 539019590 /nfs/dbraw/zinc/01/95/90/539019590.db2.gz QBELZTJCRXXICS-LLVKDONJSA-N 1 0 225.357 2.471 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000602607634 349630700 /nfs/dbraw/zinc/63/07/00/349630700.db2.gz RQYZYZQGEGAALX-JHJVBQTASA-N 1 0 224.348 2.331 20 30 BEEDRO CCC[C@H](C[N@@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000602607863 349630911 /nfs/dbraw/zinc/63/09/11/349630911.db2.gz KIWSGFZAFGQACS-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1[C@@H](NCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000309755627 342866290 /nfs/dbraw/zinc/86/62/90/342866290.db2.gz WXLIUWYHIDLLPF-ZFWWWQNUSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C#N)cc1F ZINC000417403894 398307117 /nfs/dbraw/zinc/30/71/17/398307117.db2.gz ODCRFZHAWDZJEX-UDZFHETQSA-N 1 0 248.301 2.261 20 30 BEEDRO CC1=CC[N@H+](CCNc2cc(C#N)ccn2)CC1 ZINC000342839667 342877184 /nfs/dbraw/zinc/87/71/84/342877184.db2.gz LCTUGHIDDSDREV-UHFFFAOYSA-N 1 0 242.326 2.017 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CCC[C@](C)(C#N)C1)OC ZINC000602611096 349634718 /nfs/dbraw/zinc/63/47/18/349634718.db2.gz VNCDOCGHJWSKMA-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CCC[C@@](C)(C#N)C1)OC ZINC000602611097 349634724 /nfs/dbraw/zinc/63/47/24/349634724.db2.gz VNCDOCGHJWSKMA-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625160191 342898431 /nfs/dbraw/zinc/89/84/31/342898431.db2.gz ZOIZOOLEJWTWGM-UHFFFAOYSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000336415701 398318798 /nfs/dbraw/zinc/31/87/98/398318798.db2.gz RUZMCEGUBUGGFJ-UHFFFAOYSA-N 1 0 217.316 2.183 20 30 BEEDRO CC[C@](C)(C[NH+]1CCC(C)(C#N)CC1)OC ZINC000602610328 349633395 /nfs/dbraw/zinc/63/33/95/349633395.db2.gz ZIZIVVCJHFCHDL-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000602610275 349634052 /nfs/dbraw/zinc/63/40/52/349634052.db2.gz SHWMJHDCXSCUJR-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CCC[C@@](C)(C#N)C1)C1CC1 ZINC000602610274 349634065 /nfs/dbraw/zinc/63/40/65/349634065.db2.gz SHWMJHDCXSCUJR-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C1(CO)CCCCC1 ZINC000602612774 349636249 /nfs/dbraw/zinc/63/62/49/349636249.db2.gz QQNXYQYQECZSCI-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602616296 349638959 /nfs/dbraw/zinc/63/89/59/349638959.db2.gz UPOLMHITIQJQKH-TUAOUCFPSA-N 1 0 240.347 2.104 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](CCO)C(C)(C)C ZINC000602618945 349639701 /nfs/dbraw/zinc/63/97/01/349639701.db2.gz UBSNKAFDKBCCOY-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO N#CC1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000602620420 349640409 /nfs/dbraw/zinc/64/04/09/349640409.db2.gz WSOFFVBRFVRQPN-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602619758 349640419 /nfs/dbraw/zinc/64/04/19/349640419.db2.gz QUAMAMTZTMKTRS-UHFFFAOYSA-N 1 0 215.300 2.399 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000602622544 349641100 /nfs/dbraw/zinc/64/11/00/349641100.db2.gz AAUPBBDTIKTZAJ-GNRIBBGQSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000602622545 349641169 /nfs/dbraw/zinc/64/11/69/349641169.db2.gz AAUPBBDTIKTZAJ-HHTDUIENSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000602623567 349642132 /nfs/dbraw/zinc/64/21/32/349642132.db2.gz ILMBMWVXLMCNGJ-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000602623569 349642373 /nfs/dbraw/zinc/64/23/73/349642373.db2.gz ILMBMWVXLMCNGJ-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@@](C)(C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000602597926 349645074 /nfs/dbraw/zinc/64/50/74/349645074.db2.gz UNDLXANSJBBGIT-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(CCO)CCCC1 ZINC000602649054 349658797 /nfs/dbraw/zinc/65/87/97/349658797.db2.gz GUNVSIWQAMAXMR-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO COC(=O)C(C)(C)CC[NH2+]C[C@H](C)CCC#N ZINC000602652284 349659333 /nfs/dbraw/zinc/65/93/33/349659333.db2.gz WFHOMHGIXUVNPT-LLVKDONJSA-N 1 0 240.347 2.105 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CSC1(C)C ZINC000602650145 349659479 /nfs/dbraw/zinc/65/94/79/349659479.db2.gz BMITZUCJVDNWKP-NXEZZACHSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000602652373 349660289 /nfs/dbraw/zinc/66/02/89/349660289.db2.gz CYUAMHOVYSIKLI-FRRDWIJNSA-N 1 0 224.348 2.188 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602654303 349660897 /nfs/dbraw/zinc/66/08/97/349660897.db2.gz KVKNLDPYXNNXEY-NELGMTEASA-N 1 0 236.359 2.331 20 30 BEEDRO N#CC1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000602638202 349652075 /nfs/dbraw/zinc/65/20/75/349652075.db2.gz NLCCGBALUGUISO-JXQTWKCFSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1=C(C)C[N@H+](Cc2cccc(C#N)n2)CC1 ZINC000602644150 349655986 /nfs/dbraw/zinc/65/59/86/349655986.db2.gz VSRZAHGVWPLOOG-UHFFFAOYSA-N 1 0 227.311 2.495 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(CC#N)CC1 ZINC000602644184 349656031 /nfs/dbraw/zinc/65/60/31/349656031.db2.gz WPBZNERUQVNUPI-LLVKDONJSA-N 1 0 205.305 2.210 20 30 BEEDRO CCOC1CC(C[NH2+]CC2(CC#N)CC2)C1 ZINC000602644190 349656062 /nfs/dbraw/zinc/65/60/62/349656062.db2.gz WPXAPTNXEZFQDY-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602645135 349656714 /nfs/dbraw/zinc/65/67/14/349656714.db2.gz UETSYTXZLIQLNE-UHFFFAOYSA-N 1 0 236.315 2.166 20 30 BEEDRO Cc1noc([C@H](C)[NH2+]C2CCC(C#N)CC2)n1 ZINC000602644937 349657159 /nfs/dbraw/zinc/65/71/59/349657159.db2.gz NDCGYODWTHBZLR-PUSIOWJLSA-N 1 0 234.303 2.111 20 30 BEEDRO CC/C=C/C[NH2+]Cc1cccc(C#N)n1 ZINC000602674888 349668210 /nfs/dbraw/zinc/66/82/10/349668210.db2.gz HHEDSGNDJHFNDS-ONEGZZNKSA-N 1 0 201.273 2.009 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000120026008 398336917 /nfs/dbraw/zinc/33/69/17/398336917.db2.gz RVUXMZOEKWQSID-UHFFFAOYSA-N 1 0 232.331 2.098 20 30 BEEDRO C[C@@H]1CCC[C@]1(O)C[NH2+]C1CCC(C#N)CC1 ZINC000602677486 349670023 /nfs/dbraw/zinc/67/00/23/349670023.db2.gz VBPVCVILLMKADG-RYSNWHEDSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](N2CCCC2)[C@H]1C ZINC000602657114 349662688 /nfs/dbraw/zinc/66/26/88/349662688.db2.gz WRJOVMDYWMRZBM-RBSFLKMASA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000560239486 398333130 /nfs/dbraw/zinc/33/31/30/398333130.db2.gz VLXSHUBKCWLCNR-CQSZACIVSA-N 1 0 241.375 2.470 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCc2ncsc2C1 ZINC000602628099 349664255 /nfs/dbraw/zinc/66/42/55/349664255.db2.gz HDXXTHQOYVOARW-JTQLQIEISA-N 1 0 235.356 2.441 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCc2ncsc2C1 ZINC000602628101 349664321 /nfs/dbraw/zinc/66/43/21/349664321.db2.gz HDXXTHQOYVOARW-SNVBAGLBSA-N 1 0 235.356 2.441 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000602627009 349664368 /nfs/dbraw/zinc/66/43/68/349664368.db2.gz OKZDYHYPIASEFX-AVGNSLFASA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)[C@H]1C[N@H+](C[C@H](C)CCC#N)CCN1C ZINC000602629825 349665006 /nfs/dbraw/zinc/66/50/06/349665006.db2.gz JGWPJMLEHTZLBT-ZIAGYGMSSA-N 1 0 237.391 2.198 20 30 BEEDRO CCC[C@]1(CO)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602671739 349666576 /nfs/dbraw/zinc/66/65/76/349666576.db2.gz VOSQPNALKBAAFT-KGLIPLIRSA-N 1 0 238.375 2.411 20 30 BEEDRO CCC[C@]1(CO)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602671738 349666628 /nfs/dbraw/zinc/66/66/28/349666628.db2.gz VOSQPNALKBAAFT-KBPBESRZSA-N 1 0 238.375 2.411 20 30 BEEDRO CC[N@H+](C[C@H](C)CCC#N)C[C@@H](C)OC ZINC000602673813 349667645 /nfs/dbraw/zinc/66/76/45/349667645.db2.gz CRVPJWVPDLVRBN-VXGBXAGGSA-N 1 0 212.337 2.283 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000379917191 365689914 /nfs/dbraw/zinc/68/99/14/365689914.db2.gz DHHXZYJGVCNFCM-XQQFMLRXSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCC[C@H]1CCOC1 ZINC000602683532 349675171 /nfs/dbraw/zinc/67/51/71/349675171.db2.gz ZZFVUORRWMWGBE-OLZOCXBDSA-N 1 0 224.348 2.333 20 30 BEEDRO COCCC1(C)C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602688655 349679483 /nfs/dbraw/zinc/67/94/83/349679483.db2.gz OBTQGKVSPGOIPV-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CCn1ccnc1[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602684440 349676405 /nfs/dbraw/zinc/67/64/05/349676405.db2.gz YFYKCDNUUYHAMX-RYUDHWBXSA-N 1 0 234.347 2.493 20 30 BEEDRO CCOC1CC(C[N@H+](C[C@@H](C)C#N)C2CC2)C1 ZINC000351753866 136251739 /nfs/dbraw/zinc/25/17/39/136251739.db2.gz YEMITWAEWDJQCD-DCBWTQNWSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000602685759 349677193 /nfs/dbraw/zinc/67/71/93/349677193.db2.gz KWIQRQZWSBKAAH-QWHCGFSZSA-N 1 0 224.348 2.021 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602688728 349679314 /nfs/dbraw/zinc/67/93/14/349679314.db2.gz YLLLCXSFATVJAI-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)c1ccn(C)n1 ZINC000602687994 349678430 /nfs/dbraw/zinc/67/84/30/349678430.db2.gz UCLRCYBYCYHUDE-WDEREUQCSA-N 1 0 220.320 2.011 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602680929 349673226 /nfs/dbraw/zinc/67/32/26/349673226.db2.gz HXMATEAKYDEYHY-UPJWGTAASA-N 1 0 222.332 2.249 20 30 BEEDRO CC[C@@H](C[NH2+]C1CCC(C#N)CC1)OC ZINC000602667198 349684717 /nfs/dbraw/zinc/68/47/17/349684717.db2.gz MXPFDUGEBWZHHC-MCIGGMRASA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)C[C@H](O)CC ZINC000075673971 344015363 /nfs/dbraw/zinc/01/53/63/344015363.db2.gz HPQSAOPXOYOLIO-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO CC(C)(CC#N)C[NH2+]CCC1CCOCC1 ZINC000602689270 349680080 /nfs/dbraw/zinc/68/00/80/349680080.db2.gz BFSPPWUWJISAID-UHFFFAOYSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](N2CCCC2)C[C@@H]1C ZINC000602662497 349682204 /nfs/dbraw/zinc/68/22/04/349682204.db2.gz OMSGNBLTXJECAM-ILXRZTDVSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](N2CCCC2)C[C@@H]1C ZINC000602662500 349682306 /nfs/dbraw/zinc/68/23/06/349682306.db2.gz OMSGNBLTXJECAM-QLFBSQMISA-N 1 0 249.402 2.485 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCC[C@@H]1CCO1 ZINC000602661829 349682377 /nfs/dbraw/zinc/68/23/77/349682377.db2.gz IZWUXECGOSBDGV-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)C[C@@H](C)CCC#N ZINC000602663561 349683056 /nfs/dbraw/zinc/68/30/56/349683056.db2.gz CXUFPUWWXGNWDK-QWHCGFSZSA-N 1 0 226.364 2.265 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000351815683 136255101 /nfs/dbraw/zinc/25/51/01/136255101.db2.gz NQUYDHMJOVKFMN-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000624013899 346902658 /nfs/dbraw/zinc/90/26/58/346902658.db2.gz LNMJENOKCMCOLI-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000602719063 349691584 /nfs/dbraw/zinc/69/15/84/349691584.db2.gz VTGYZLBBYJOGRJ-ROKHWSDSSA-N 1 0 236.359 2.067 20 30 BEEDRO CC(C)OCC(C)(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602695051 349691683 /nfs/dbraw/zinc/69/16/83/349691683.db2.gz VXBLPNDITCQYFP-UHFFFAOYSA-N 1 0 247.342 2.246 20 30 BEEDRO COCC[C@@H](C)C[NH2+]C[C@@H](C)CCC#N ZINC000602695255 349691840 /nfs/dbraw/zinc/69/18/40/349691840.db2.gz MRELFKBKVCGGOZ-NWDGAFQWSA-N 1 0 212.337 2.188 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)CCC#N)CCO1 ZINC000602695651 349692211 /nfs/dbraw/zinc/69/22/11/349692211.db2.gz BVWSQEZHDLAQLR-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000602695466 349692223 /nfs/dbraw/zinc/69/22/23/349692223.db2.gz WMYAZIANEFKPCD-JHJVBQTASA-N 1 0 224.348 2.019 20 30 BEEDRO CO[C@](C)(C[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000602697082 349693421 /nfs/dbraw/zinc/69/34/21/349693421.db2.gz UPBKPWJMXJCZCD-GFCCVEGCSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@H]1O ZINC000351781837 136254176 /nfs/dbraw/zinc/25/41/76/136254176.db2.gz PESAWTHPGKCBKB-SMDDNHRTSA-N 1 0 249.741 2.004 20 30 BEEDRO C[C@H]1C[N@H+](CC#Cc2ccc(Cl)cc2)C[C@@H]1O ZINC000351781834 136254327 /nfs/dbraw/zinc/25/43/27/136254327.db2.gz PESAWTHPGKCBKB-FZMZJTMJSA-N 1 0 249.741 2.004 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)sn1 ZINC000602691816 349689141 /nfs/dbraw/zinc/68/91/41/349689141.db2.gz SWYXXLXUFSUZLX-UHFFFAOYSA-N 1 0 223.345 2.481 20 30 BEEDRO CCC[C@H](C[N@@H+]1CC[C@](C)(C#N)C1)OC ZINC000602719164 349698455 /nfs/dbraw/zinc/69/84/55/349698455.db2.gz UKARGFAXFNZJFJ-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000602706983 349699748 /nfs/dbraw/zinc/69/97/48/349699748.db2.gz INMZGTYCCLRLMY-MELADBBJSA-N 1 0 236.359 2.285 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(C#N)c(F)c2)C1 ZINC000352204153 536716437 /nfs/dbraw/zinc/71/64/37/536716437.db2.gz WMSDGRMJFRMAET-UHFFFAOYSA-N 1 0 248.301 2.307 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000602707593 349700713 /nfs/dbraw/zinc/70/07/13/349700713.db2.gz NWCBSRUGABKWLW-QWHCGFSZSA-N 1 0 237.391 2.389 20 30 BEEDRO COC1CC(CC[NH2+]C[C@H](C)CCC#N)C1 ZINC000602707381 349701199 /nfs/dbraw/zinc/70/11/99/349701199.db2.gz UVMGRQVZMKNRBV-PNESKVBLSA-N 1 0 224.348 2.331 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccccc2C#N)C1 ZINC000352203358 536716958 /nfs/dbraw/zinc/71/69/58/536716958.db2.gz RDSUMCQEIWUMKL-UHFFFAOYSA-N 1 0 230.311 2.167 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000352212914 536717583 /nfs/dbraw/zinc/71/75/83/536717583.db2.gz SCFDHYHBRQHLKX-UHFFFAOYSA-N 1 0 248.301 2.307 20 30 BEEDRO CO[C@H](C[NH+]1CC(CC#N)C1)C1CCCC1 ZINC000602708295 349701589 /nfs/dbraw/zinc/70/15/89/349701589.db2.gz NWYDEEHLBAIFHL-CYBMUJFWSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000602708609 349701879 /nfs/dbraw/zinc/70/18/79/349701879.db2.gz RAIUBMOUGBAHOF-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO CO[C@@H](Cc1ccccc1)C[NH+]1CC(CC#N)C1 ZINC000602710703 349703478 /nfs/dbraw/zinc/70/34/78/349703478.db2.gz XNUVXVTYNDIDAD-HNNXBMFYSA-N 1 0 244.338 2.090 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccc(CO)cc1 ZINC000602700151 349695887 /nfs/dbraw/zinc/69/58/87/349695887.db2.gz KTYVUUWPJLECQQ-GFCCVEGCSA-N 1 0 232.327 2.208 20 30 BEEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602700354 349695988 /nfs/dbraw/zinc/69/59/88/349695988.db2.gz TVRWDOVUEKVEMG-BLYZHGLHSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnn(CCC)c1 ZINC000313487560 259335823 /nfs/dbraw/zinc/33/58/23/259335823.db2.gz FPKFJFNFMJCTEF-UHFFFAOYSA-N 1 0 207.321 2.349 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CC[C@H](c2ccccc2)C1 ZINC000302474995 344019644 /nfs/dbraw/zinc/01/96/44/344019644.db2.gz XYLPYYCEDDLXAS-KBPBESRZSA-N 1 0 245.322 2.204 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)[C@@H](C)O1 ZINC000602736936 349720813 /nfs/dbraw/zinc/72/08/13/349720813.db2.gz RYZYDQXRFWLJCX-KRDKVTMHSA-N 1 0 222.332 2.224 20 30 BEEDRO C#C[C@H]([NH2+]CC[C@@H]1CCOC1)C(C)(C)C ZINC000309080183 259336727 /nfs/dbraw/zinc/33/67/27/259336727.db2.gz OHQXSNOWWMEVJL-NEPJUHHUSA-N 1 0 209.333 2.051 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000495198028 529575074 /nfs/dbraw/zinc/57/50/74/529575074.db2.gz ZSOZGWYQPVTEMQ-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000602719654 349711813 /nfs/dbraw/zinc/71/18/13/349711813.db2.gz RCIGXHCLMQCWNB-FQUUOJAGSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000297349559 342993939 /nfs/dbraw/zinc/99/39/39/342993939.db2.gz FXAQCTDERQQPRS-NFOMZHRRSA-N 1 0 231.339 2.243 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000602727516 349716143 /nfs/dbraw/zinc/71/61/43/349716143.db2.gz VSTZFDAPISFECQ-KVSVUVNWSA-N 1 0 224.348 2.328 20 30 BEEDRO C[N@H+](CC1(CC#N)CC1)[C@@H](CO)C(C)(C)C ZINC000602794704 349736577 /nfs/dbraw/zinc/73/65/77/349736577.db2.gz CZUFEYCBFOYTQD-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000602796237 349737556 /nfs/dbraw/zinc/73/75/56/349737556.db2.gz WPELYOXKFOJWDL-GFCCVEGCSA-N 1 0 244.342 2.283 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000602798729 349739520 /nfs/dbraw/zinc/73/95/20/349739520.db2.gz GNSUMACZYGZYTK-CHWSQXEVSA-N 1 0 234.343 2.039 20 30 BEEDRO C[N@H+](CCc1nccs1)CC1(CC#N)CC1 ZINC000602802073 349741686 /nfs/dbraw/zinc/74/16/86/349741686.db2.gz SQXXHEAZRPVUHK-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO C[N@H+](C[C@H]1CCCC[C@H]1O)CC1(CC#N)CC1 ZINC000602802367 349742738 /nfs/dbraw/zinc/74/27/38/349742738.db2.gz QGTMZESYMVHIEK-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCC(CC#N)CC1 ZINC000602805345 349743839 /nfs/dbraw/zinc/74/38/39/349743839.db2.gz JLMRFXKVFPVZNC-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO CC[N@@H+]1CC[C@@H](N(C)CC2(CC#N)CC2)C[C@@H]1C ZINC000602779848 349746326 /nfs/dbraw/zinc/74/63/26/349746326.db2.gz SQQMIMLPSVJXLB-UONOGXRCSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCn2nccc21 ZINC000602750528 349730338 /nfs/dbraw/zinc/73/03/38/349730338.db2.gz JQSFLHHGVZRAJB-NWDGAFQWSA-N 1 0 232.331 2.247 20 30 BEEDRO CC(C)C[C@H](CO)[N@H+](C)CC1(CC#N)CC1 ZINC000602821186 349762303 /nfs/dbraw/zinc/76/23/03/349762303.db2.gz WOQBSZUMQGVTPA-GFCCVEGCSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1noc([C@H]2CCCN2CC2(CC#N)CC2)n1 ZINC000602827600 349765503 /nfs/dbraw/zinc/76/55/03/349765503.db2.gz LCYUUVMWAHZGDP-LLVKDONJSA-N 1 0 246.314 2.209 20 30 BEEDRO C=CCCC[NH+]1CCN(c2nccs2)CC1 ZINC000117871869 343019279 /nfs/dbraw/zinc/01/92/79/343019279.db2.gz VKRPALYQEUHGKS-UHFFFAOYSA-N 1 0 237.372 2.231 20 30 BEEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC1(CC#N)CC1 ZINC000602830712 349767243 /nfs/dbraw/zinc/76/72/43/349767243.db2.gz VTLZFTQFNIITBG-UONOGXRCSA-N 1 0 247.386 2.239 20 30 BEEDRO N#CCC1(C[N@@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000602785286 349749451 /nfs/dbraw/zinc/74/94/51/349749451.db2.gz ATIKGSAJWWXPQB-QWHCGFSZSA-N 1 0 234.343 2.181 20 30 BEEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC1(CC#N)CC1 ZINC000602831332 349767419 /nfs/dbraw/zinc/76/74/19/349767419.db2.gz NPOAEUHSCJBAJE-UONOGXRCSA-N 1 0 247.386 2.239 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602786474 349750808 /nfs/dbraw/zinc/75/08/08/349750808.db2.gz UFXGWTIWUNXMAW-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@]1(CO)CCC[N@H+](CC2(CC#N)CC2)C1 ZINC000602813737 349756845 /nfs/dbraw/zinc/75/68/45/349756845.db2.gz YHSOJFZNSLKKMM-ZDUSSCGKSA-N 1 0 236.359 2.165 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@H](C)[C@H](C)O1 ZINC000602815380 349757367 /nfs/dbraw/zinc/75/73/67/349757367.db2.gz JZYSQOWCWCTKPL-UTUOFQBUSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)[C@@H](C)O1 ZINC000602815378 349757436 /nfs/dbraw/zinc/75/74/36/349757436.db2.gz JZYSQOWCWCTKPL-GRYCIOLGSA-N 1 0 222.332 2.178 20 30 BEEDRO Cc1ccccc1NC(=O)[C@@H](C)N[C@@H](C)CC#N ZINC000602861581 349772439 /nfs/dbraw/zinc/77/24/39/349772439.db2.gz GDTGXNMWIGJRDC-NWDGAFQWSA-N 1 0 245.326 2.214 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602862443 349773352 /nfs/dbraw/zinc/77/33/52/349773352.db2.gz JCKIVDGJJDTZOQ-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602862444 349773447 /nfs/dbraw/zinc/77/34/47/349773447.db2.gz JCKIVDGJJDTZOQ-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602862445 349773763 /nfs/dbraw/zinc/77/37/63/349773763.db2.gz JCKIVDGJJDTZOQ-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)cc2F)C[C@@H](C)[NH+]1C ZINC000135265093 344024396 /nfs/dbraw/zinc/02/43/96/344024396.db2.gz DSWCTMRHDIJPOW-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@H](O)C23CCCC3)CC1 ZINC000602839452 349778379 /nfs/dbraw/zinc/77/83/79/349778379.db2.gz JMWCBGSIQMQECL-LBPRGKRZSA-N 1 0 234.343 2.060 20 30 BEEDRO CCO[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1C ZINC000602839594 349778605 /nfs/dbraw/zinc/77/86/05/349778605.db2.gz HNYYAWYDBBMGQT-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCC1(C[N@H+]2CCCC[C@H]2C2(O)CC2)CC1 ZINC000602844008 349781454 /nfs/dbraw/zinc/78/14/54/349781454.db2.gz XUSGWVBLGXSAKK-LBPRGKRZSA-N 1 0 234.343 2.060 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@H](O)CC23CCC3)CC1 ZINC000602848546 349783186 /nfs/dbraw/zinc/78/31/86/349783186.db2.gz WDBYSWWGNHFIEX-LBPRGKRZSA-N 1 0 234.343 2.060 20 30 BEEDRO C[C@H]1CN(CC2(CC#N)CC2)CC[N@@H+](C2CC2)C1 ZINC000602832538 349768494 /nfs/dbraw/zinc/76/84/94/349768494.db2.gz PABJAWPMSUWGKR-ZDUSSCGKSA-N 1 0 247.386 2.096 20 30 BEEDRO CCCN(CC[NH+]1CCCC1)CC1(CC#N)CC1 ZINC000602833864 349769540 /nfs/dbraw/zinc/76/95/40/349769540.db2.gz WTHDFCRTPSARPN-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C[C@@H](CC#N)NCc1cc2ccccc2[nH]c1=O ZINC000602859838 349770506 /nfs/dbraw/zinc/77/05/06/349770506.db2.gz AYKQVOPJQKKXDY-JTQLQIEISA-N 1 0 241.294 2.332 20 30 BEEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602807369 349770886 /nfs/dbraw/zinc/77/08/86/349770886.db2.gz SCVLSUAHPVVJCJ-CQSZACIVSA-N 1 0 244.338 2.312 20 30 BEEDRO CC(C)O[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000602857732 349788897 /nfs/dbraw/zinc/78/88/97/349788897.db2.gz YQEONCULFDXKOH-GFCCVEGCSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc2ccccc2c1 ZINC000352465721 136263801 /nfs/dbraw/zinc/26/38/01/136263801.db2.gz NQGNZCAPBLIOKA-OAHLLOKOSA-N 1 0 227.307 2.476 20 30 BEEDRO C[C@@H]1C[NH+]([C@H]2C=CCCC2)C[C@@H](C)N1CC#N ZINC000602858395 349789427 /nfs/dbraw/zinc/78/94/27/349789427.db2.gz RQMIZZIKWWXNGG-MCIONIFRSA-N 1 0 233.359 2.013 20 30 BEEDRO CC1(C)CO[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000602882329 349791714 /nfs/dbraw/zinc/79/17/14/349791714.db2.gz CSFPLDKNRFUBSO-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849697 349784268 /nfs/dbraw/zinc/78/42/68/349784268.db2.gz MHXYBECATOXEGM-KBPBESRZSA-N 1 0 235.375 2.261 20 30 BEEDRO C[C@@H]1C[N@@H+](CCC2CCC2)C[C@H](C)N1CC#N ZINC000602851150 349785805 /nfs/dbraw/zinc/78/58/05/349785805.db2.gz TVEGLDBMPOVVNZ-BETUJISGSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)CCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851912 349786563 /nfs/dbraw/zinc/78/65/63/349786563.db2.gz YFMXVRPBOXWZBX-KBPBESRZSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H]1C[NH+](CC2CC(C)(C)C2)C[C@@H](C)N1CC#N ZINC000602851407 349786578 /nfs/dbraw/zinc/78/65/78/349786578.db2.gz VXDCGLNGALVESG-CHWSQXEVSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CC1(C#N)CC1 ZINC000352884116 136265211 /nfs/dbraw/zinc/26/52/11/136265211.db2.gz KYROKRKXKPVAGP-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000576870301 365708601 /nfs/dbraw/zinc/70/86/01/365708601.db2.gz RWQAIOYYWVVEPW-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)C[N@@H+](CC)CC(=O)NC(C)(C)CC ZINC000066863737 343118688 /nfs/dbraw/zinc/11/86/88/343118688.db2.gz UWBGINFDLQDYOV-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000640936196 362074160 /nfs/dbraw/zinc/07/41/60/362074160.db2.gz QKIJRZWSWXEMKE-UHFFFAOYSA-N 1 0 242.326 2.370 20 30 BEEDRO CCOC(=O)CCCCC[NH2+][C@@H](C)CC#N ZINC000602865149 349797305 /nfs/dbraw/zinc/79/73/05/349797305.db2.gz WRLFDOWPMMXXDW-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO C=CCCCn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000640936458 362075707 /nfs/dbraw/zinc/07/57/07/362075707.db2.gz YKUWCWPFAINCFL-CQSZACIVSA-N 1 0 242.326 2.292 20 30 BEEDRO CCOC(=O)CCCCC[NH2+][C@H](C)CC#N ZINC000602865148 349797331 /nfs/dbraw/zinc/79/73/31/349797331.db2.gz WRLFDOWPMMXXDW-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C=CCCCCn1cc([C@@H]([NH3+])CCC)nn1 ZINC000640939422 362077648 /nfs/dbraw/zinc/07/76/48/362077648.db2.gz PSHMAUVOLZDZHM-NSHDSACASA-N 1 0 222.336 2.434 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC)C1 ZINC000449522054 259351450 /nfs/dbraw/zinc/35/14/50/259351450.db2.gz VNSGSZBQWQVCJS-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000576870300 365709072 /nfs/dbraw/zinc/70/90/72/365709072.db2.gz RWQAIOYYWVVEPW-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCOCCC#N ZINC000339091580 136271289 /nfs/dbraw/zinc/27/12/89/136271289.db2.gz WFIXXDVKNXNNFQ-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[N@H+](CCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000402822858 343132674 /nfs/dbraw/zinc/13/26/74/343132674.db2.gz ICLRNUMJICFVCC-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CC1 ZINC000569697851 323037385 /nfs/dbraw/zinc/03/73/85/323037385.db2.gz XZHAZGJIYPBJSS-YPMHNXCESA-N 1 0 209.333 2.188 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCC[C@H]1COCC ZINC000336757805 136275490 /nfs/dbraw/zinc/27/54/90/136275490.db2.gz JLVKLPQIBZYRDQ-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)CON=C(N)COc1ccccc1F ZINC000186862601 136275528 /nfs/dbraw/zinc/27/55/28/136275528.db2.gz DEFMITPQUAQXEA-UHFFFAOYSA-N 1 0 238.262 2.069 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(Cl)cc1F ZINC000186863899 136275584 /nfs/dbraw/zinc/27/55/84/136275584.db2.gz TXECAPHNOPMSLR-UHFFFAOYSA-N 1 0 243.713 2.293 20 30 BEEDRO C=CCC[C@H]([NH2+]CCN(C)CC)C1CC1 ZINC000120567854 136275759 /nfs/dbraw/zinc/27/57/59/136275759.db2.gz UXCTWAFEDCEKRC-ZDUSSCGKSA-N 1 0 210.365 2.273 20 30 BEEDRO CCOC[C@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000336773379 136276447 /nfs/dbraw/zinc/27/64/47/136276447.db2.gz YPEULHWIXGYKTF-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000634685601 343225539 /nfs/dbraw/zinc/22/55/39/343225539.db2.gz QYOGTEQUIUIIBX-AVGNSLFASA-N 1 0 239.359 2.125 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000267010620 136282072 /nfs/dbraw/zinc/28/20/72/136282072.db2.gz GQOAAXWFJZONBA-LLVKDONJSA-N 1 0 219.332 2.023 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(CO)ccc1F ZINC000625313589 343231232 /nfs/dbraw/zinc/23/12/32/343231232.db2.gz LIMUYZGTRYVWBM-UHFFFAOYSA-N 1 0 223.291 2.326 20 30 BEEDRO CN(C)c1ccc(C[NH2+]CCCC#N)cc1F ZINC000273011507 136282902 /nfs/dbraw/zinc/28/29/02/136282902.db2.gz CCUZDJZNGGJDOC-UHFFFAOYSA-N 1 0 235.306 2.285 20 30 BEEDRO CN(C(=[NH2+])NCc1ccccc1Cl)C1CC1 ZINC000273315508 136283993 /nfs/dbraw/zinc/28/39/93/136283993.db2.gz DDJOBUVPLMXDNT-UHFFFAOYSA-N 1 0 237.734 2.249 20 30 BEEDRO Cc1cccc(C[N@H+](C)CCCSCC#N)n1 ZINC000336713771 136278347 /nfs/dbraw/zinc/27/83/47/136278347.db2.gz QIQZDLGMYNLESJ-UHFFFAOYSA-N 1 0 249.383 2.469 20 30 BEEDRO C=CCOCC[N@@H+](C)CCOCc1ccccc1 ZINC000339014530 136279699 /nfs/dbraw/zinc/27/96/99/136279699.db2.gz PYGDBWOQZUSZGB-UHFFFAOYSA-N 1 0 249.354 2.338 20 30 BEEDRO C=CCOCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000339015327 136279817 /nfs/dbraw/zinc/27/98/17/136279817.db2.gz VMJFEMHPNRAEFE-GFCCVEGCSA-N 1 0 229.389 2.262 20 30 BEEDRO CN(CC1([NH+](C)C)CCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000339112383 136280331 /nfs/dbraw/zinc/28/03/31/136280331.db2.gz NQAYZRRSKQFQGC-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C[NH+]1CCC(Nc2cccc(F)c2C#N)CC1 ZINC000035134982 343286363 /nfs/dbraw/zinc/28/63/63/343286363.db2.gz KCMVFUGTNLNXHL-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO C=CCCN(C)Cc1noc(C2CCC2)n1 ZINC000625364260 343258890 /nfs/dbraw/zinc/25/88/90/343258890.db2.gz GFJGIZLDPUIKCR-UHFFFAOYSA-N 1 0 221.304 2.345 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cnn(C)c1)C1CC1 ZINC000120436259 136292528 /nfs/dbraw/zinc/29/25/28/136292528.db2.gz ZRBXPAGFKQCZHJ-CYBMUJFWSA-N 1 0 219.332 2.255 20 30 BEEDRO CCOc1cc(CN(C)C[C@H](C)C#N)ccc1O ZINC000297941007 136291375 /nfs/dbraw/zinc/29/13/75/136291375.db2.gz VDRNVDJNOGUWFB-LLVKDONJSA-N 1 0 248.326 2.382 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(CC)nn(C)c1Cl ZINC000119645944 136291790 /nfs/dbraw/zinc/29/17/90/136291790.db2.gz AEKOCIBWZLSZMF-UHFFFAOYSA-N 1 0 227.739 2.302 20 30 BEEDRO C=CCCCCCn1cc([C@@H](C)[NH2+]C)nn1 ZINC000641044084 362152728 /nfs/dbraw/zinc/15/27/28/362152728.db2.gz FRNJGNGKEAALSG-LLVKDONJSA-N 1 0 222.336 2.305 20 30 BEEDRO CO[C@@H](C)CC[NH2+]CC(C)(C)CCC#N ZINC000309247478 536870766 /nfs/dbraw/zinc/87/07/66/536870766.db2.gz ZLDLNFPRLKWOMD-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO CC(C)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000344066004 343322243 /nfs/dbraw/zinc/32/22/43/343322243.db2.gz HFCIYYCAGUMGOI-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000165416179 343292440 /nfs/dbraw/zinc/29/24/40/343292440.db2.gz MLLLXGYFXZOLRB-IUODEOHRSA-N 1 0 244.338 2.381 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CC1)[C@H]1COc2ccccc21 ZINC000348773908 136298079 /nfs/dbraw/zinc/29/80/79/136298079.db2.gz JRZKSXSBXAIMPQ-WCQYABFASA-N 1 0 242.322 2.444 20 30 BEEDRO CN1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1C(C)(C)C ZINC000602873516 349804524 /nfs/dbraw/zinc/80/45/24/349804524.db2.gz JZWTZRMBKMPKJG-MJBXVCDLSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@H](C[C@@H]1CCCO1)[NH2+]Cc1ccc(C#N)o1 ZINC000343979600 343316918 /nfs/dbraw/zinc/31/69/18/343316918.db2.gz WZKVXZIMYXUCTL-MNOVXSKESA-N 1 0 234.299 2.198 20 30 BEEDRO C=C(C)CC[N@H+]1CCCc2c(cnn2C)C1 ZINC000335639025 136303101 /nfs/dbraw/zinc/30/31/01/136303101.db2.gz SWIMLBHTMJGYQZ-UHFFFAOYSA-N 1 0 219.332 2.135 20 30 BEEDRO C=CCN(CC(=O)c1cc(C)[nH]c1C)C1CC1 ZINC000348916332 136307766 /nfs/dbraw/zinc/30/77/66/136307766.db2.gz DQRYYGGSUAKISH-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO COC[C@H]([NH2+]CCCC#N)C1CCCC1 ZINC000308940520 536875556 /nfs/dbraw/zinc/87/55/56/536875556.db2.gz MAGNHOLUHJHOLJ-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000344344974 343395758 /nfs/dbraw/zinc/39/57/58/343395758.db2.gz ZTUIOGRGSVOTKU-TUKIKUTGSA-N 1 0 242.322 2.482 20 30 BEEDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(C#N)cc2)CCCN1C ZINC000344330447 343396801 /nfs/dbraw/zinc/39/68/01/343396801.db2.gz VBOIDQSNMJLYOL-IUODEOHRSA-N 1 0 243.354 2.131 20 30 BEEDRO C#CCC[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000299233931 343398593 /nfs/dbraw/zinc/39/85/93/343398593.db2.gz RBIBDASOOSOGPB-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO Cc1cc(CN2CCOCC2(C)C)ccc1C#N ZINC000335725563 136347178 /nfs/dbraw/zinc/34/71/78/136347178.db2.gz CQZIJZXGSDXNAD-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CCCCN(C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418706949 192062759 /nfs/dbraw/zinc/06/27/59/192062759.db2.gz SSKRQFBUQXRPTO-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO CC(C)[C@H]1C[N@H+](CC2(C#N)CC2)CCCO1 ZINC000335734160 136349700 /nfs/dbraw/zinc/34/97/00/136349700.db2.gz MIWARKIHZAZWLH-GFCCVEGCSA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000335704774 136335309 /nfs/dbraw/zinc/33/53/09/136335309.db2.gz RKXQSIXTDGQMQT-RYUDHWBXSA-N 1 0 227.373 2.159 20 30 BEEDRO N#CCC1(C[N@H+]2CCc3c(O)cccc3C2)CC1 ZINC000602915608 349808844 /nfs/dbraw/zinc/80/88/44/349808844.db2.gz MZGSDOCADWVZPV-UHFFFAOYSA-N 1 0 242.322 2.444 20 30 BEEDRO C[C@@H]1CN(Cc2cc(C#N)cs2)[C@@H](C)C[N@@H+]1C ZINC000335719819 136340609 /nfs/dbraw/zinc/34/06/09/136340609.db2.gz TZYQACKZTUSHLE-MNOVXSKESA-N 1 0 249.383 2.144 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000349346748 136342702 /nfs/dbraw/zinc/34/27/02/136342702.db2.gz YTBAPSGPZBIFML-MBJXGIAVSA-N 1 0 246.354 2.226 20 30 BEEDRO CC1=C[C@@H](C)C[C@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000335878981 136356547 /nfs/dbraw/zinc/35/65/47/136356547.db2.gz CYXKAXWUGAQTSL-HIFRSBDPSA-N 1 0 247.386 2.120 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000165488024 343449672 /nfs/dbraw/zinc/44/96/72/343449672.db2.gz XHENUCDLUFAFBM-CQSZACIVSA-N 1 0 244.338 2.335 20 30 BEEDRO N#Cc1c(F)cccc1NCC[C@H]1CCC[NH2+]1 ZINC000166827709 136364170 /nfs/dbraw/zinc/36/41/70/136364170.db2.gz ICEDBGPITSYOEL-SNVBAGLBSA-N 1 0 233.290 2.251 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2ccc(O)cc2C1 ZINC000351185419 136368407 /nfs/dbraw/zinc/36/84/07/136368407.db2.gz QTCOECZUSOZQDB-OAHLLOKOSA-N 1 0 247.338 2.077 20 30 BEEDRO Cc1noc(C2CC[NH+]([C@@H](C)CCC#N)CC2)n1 ZINC000351609710 136369621 /nfs/dbraw/zinc/36/96/21/136369621.db2.gz SSGVHDSARBXFOA-JTQLQIEISA-N 1 0 248.330 2.250 20 30 BEEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000262670995 136374565 /nfs/dbraw/zinc/37/45/65/136374565.db2.gz QYXUBRYVHIOJNT-PWSUYJOCSA-N 1 0 223.364 2.412 20 30 BEEDRO C[C@H]1CC[C@@H]1NC(=[NH2+])NC1CCCCCC1 ZINC000262670994 136374671 /nfs/dbraw/zinc/37/46/71/136374671.db2.gz QYXUBRYVHIOJNT-JQWIXIFHSA-N 1 0 223.364 2.412 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000289867591 136375523 /nfs/dbraw/zinc/37/55/23/136375523.db2.gz OWCNUUUCUQMRGG-CQSZACIVSA-N 1 0 219.328 2.248 20 30 BEEDRO C=C[C@H](CO)NCc1ccc(F)cc1Cl ZINC000290013859 136375611 /nfs/dbraw/zinc/37/56/11/136375611.db2.gz ZBFALRCIRIVZDB-SNVBAGLBSA-N 1 0 229.682 2.116 20 30 BEEDRO Cc1cc(C#N)ccc1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000165492138 343483173 /nfs/dbraw/zinc/48/31/73/343483173.db2.gz ZAKPCRQZXZXHKA-GASCZTMLSA-N 1 0 242.322 2.230 20 30 BEEDRO CC(C)CC[C@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000577005634 365754039 /nfs/dbraw/zinc/75/40/39/365754039.db2.gz KTUVZPSVHUQUOP-AWEZNQCLSA-N 1 0 238.375 2.409 20 30 BEEDRO COC[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000045657881 343532498 /nfs/dbraw/zinc/53/24/98/343532498.db2.gz UJNDDHFTDKKKPZ-NEPJUHHUSA-N 1 0 232.327 2.491 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000379966364 365768732 /nfs/dbraw/zinc/76/87/32/365768732.db2.gz ZBLVIMKSLQRQOD-DDHJBXDOSA-N 1 0 210.321 2.082 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000379966368 365768922 /nfs/dbraw/zinc/76/89/22/365768922.db2.gz ZBLVIMKSLQRQOD-WYUUTHIRSA-N 1 0 210.321 2.082 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCC(=O)OC(C)(C)C ZINC000570173739 323051980 /nfs/dbraw/zinc/05/19/80/323051980.db2.gz MVUFEDFSUXAHIE-SNVBAGLBSA-N 1 0 226.320 2.000 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2(CC#N)CC2)C[C@H](C)O1 ZINC000602902193 349816764 /nfs/dbraw/zinc/81/67/64/349816764.db2.gz VDPULFXGASCQKF-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1csc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000335284456 259365131 /nfs/dbraw/zinc/36/51/31/259365131.db2.gz CUOPRGUSXXMTHZ-VHSXEESVSA-N 1 0 221.329 2.233 20 30 BEEDRO Cc1n[nH]cc1C[N@H+](C)CCCC(C)(C)C#N ZINC000602942186 349825588 /nfs/dbraw/zinc/82/55/88/349825588.db2.gz LIGCHJYXYHBTFN-UHFFFAOYSA-N 1 0 234.347 2.480 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000380001915 365793378 /nfs/dbraw/zinc/79/33/78/365793378.db2.gz NISASXCTMAUYCO-RYUDHWBXSA-N 1 0 209.333 2.336 20 30 BEEDRO C[N@H+](C[C@H](O)C(C)(C)C)[C@@H]1CCC[C@H]1C#N ZINC000602981836 349833040 /nfs/dbraw/zinc/83/30/40/349833040.db2.gz KEPUWFUFINGEFM-TUAOUCFPSA-N 1 0 224.348 2.017 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@H](C)c1ccc(C)cc1 ZINC000047960139 343675252 /nfs/dbraw/zinc/67/52/52/343675252.db2.gz LJDQOBPFNVZURJ-CYBMUJFWSA-N 1 0 246.354 2.290 20 30 BEEDRO COCC(C)(C)[N@H+](C)CC1(CC#N)CC1 ZINC000380069263 343676530 /nfs/dbraw/zinc/67/65/30/343676530.db2.gz IMCFTWIOTBQWCV-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1CC(=O)OC ZINC000071278112 343649699 /nfs/dbraw/zinc/64/96/99/343649699.db2.gz VEEYWFIJUCNUJH-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO CCC1([NH+](C)C)CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000602966864 349828193 /nfs/dbraw/zinc/82/81/93/349828193.db2.gz UERDGQGIIGMLFV-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@H](C#N)C[N@H+](C)CCCC(C)(C)C#N ZINC000087598746 343654846 /nfs/dbraw/zinc/65/48/46/343654846.db2.gz CZWJREDYGMKKKA-LLVKDONJSA-N 1 0 207.321 2.408 20 30 BEEDRO CCC1([NH+]2CCCC2)CCN(CCC#N)CC1 ZINC000602952820 349829003 /nfs/dbraw/zinc/82/90/03/349829003.db2.gz CYHMFVXLZGTSMV-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000602005538 343661562 /nfs/dbraw/zinc/66/15/62/343661562.db2.gz YAAJWVDYTQBEQZ-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO CC(C)CC[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602981347 349830554 /nfs/dbraw/zinc/83/05/54/349830554.db2.gz BRRXZDXMZDIUOJ-IHRRRGAJSA-N 1 0 238.375 2.408 20 30 BEEDRO COCCCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602978949 349843005 /nfs/dbraw/zinc/84/30/05/349843005.db2.gz ZBPLUDFDDIOXAZ-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@H]1CCC[C@H]1C#N ZINC000602978527 349843154 /nfs/dbraw/zinc/84/31/54/349843154.db2.gz SDCCGGSAULEXHK-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@@H]1CCC[C@@H]1C#N ZINC000602978530 349843194 /nfs/dbraw/zinc/84/31/94/349843194.db2.gz SDCCGGSAULEXHK-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979173 349843380 /nfs/dbraw/zinc/84/33/80/349843380.db2.gz AQOJEBKFWBSWAD-UONOGXRCSA-N 1 0 246.358 2.206 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCOCCC#N)[C@@H]1C ZINC000339005075 343693326 /nfs/dbraw/zinc/69/33/26/343693326.db2.gz HLYOANPVAZYXRZ-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@H]1CCC[N@H+](CCOCCC#N)CC1 ZINC000338997364 343693381 /nfs/dbraw/zinc/69/33/81/343693381.db2.gz NQMKKGFPWDYQOG-ZDUSSCGKSA-N 1 0 224.348 2.429 20 30 BEEDRO CC1(C)CCC[N@H+](CCOCCC#N)CC1 ZINC000339005220 343693392 /nfs/dbraw/zinc/69/33/92/343693392.db2.gz JLRDLYJKWQVZCN-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CCC[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000304566598 343699816 /nfs/dbraw/zinc/69/98/16/343699816.db2.gz HKOJEQRBAQLZKZ-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)CC[N@H+]1C2CCC1(C(=O)OC)CC2 ZINC000602985663 349837456 /nfs/dbraw/zinc/83/74/56/349837456.db2.gz DZMPYAYQRURTIG-UHFFFAOYSA-N 1 0 223.316 2.123 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)CC(F)F ZINC000624326553 343703263 /nfs/dbraw/zinc/70/32/63/343703263.db2.gz OOKJWYWZQUWOLM-JTQLQIEISA-N 1 0 220.307 2.128 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](CCCCC#N)CCCO1 ZINC000339821771 343703515 /nfs/dbraw/zinc/70/35/15/343703515.db2.gz MGIPAGCUDVLZGQ-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO C[N@H+](CCCCC#N)[C@@H]1CCC[C@@H]1C#N ZINC000602975851 349839913 /nfs/dbraw/zinc/83/99/13/349839913.db2.gz IBDXTNUCPDMURP-VXGBXAGGSA-N 1 0 205.305 2.304 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000602997171 349851337 /nfs/dbraw/zinc/85/13/37/349851337.db2.gz DWJMKQRSVATFPU-RDBSUJKOSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@@H]21 ZINC000602997168 349851395 /nfs/dbraw/zinc/85/13/95/349851395.db2.gz DWJMKQRSVATFPU-IHRRRGAJSA-N 1 0 236.359 2.306 20 30 BEEDRO CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCC[C@@H]1C#N ZINC000602979383 349844066 /nfs/dbraw/zinc/84/40/66/349844066.db2.gz CSEPPWYENQNUOQ-MCIONIFRSA-N 1 0 235.375 2.095 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000222074277 343715875 /nfs/dbraw/zinc/71/58/75/343715875.db2.gz XLZICPJLINHLPC-CYBMUJFWSA-N 1 0 247.363 2.294 20 30 BEEDRO C[N@H+](CCc1cccnc1)[C@@H]1CCC[C@@H]1C#N ZINC000602980693 349845987 /nfs/dbraw/zinc/84/59/87/349845987.db2.gz TZEVJTZTFHMHAR-ZIAGYGMSSA-N 1 0 229.327 2.248 20 30 BEEDRO N#CCSCCCN1OC2CCC1CC2 ZINC000603030118 349859815 /nfs/dbraw/zinc/85/98/15/349859815.db2.gz BXDQQCQREIHPKD-UHFFFAOYSA-N 1 0 226.345 2.192 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000570407727 323058791 /nfs/dbraw/zinc/05/87/91/323058791.db2.gz JZWDTBNWRRLFNZ-GHMZBOCLSA-N 1 0 210.321 2.226 20 30 BEEDRO Cc1occc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309073851 349854378 /nfs/dbraw/zinc/85/43/78/349854378.db2.gz HXUXFXBAQGTTKN-ZYHUDNBSSA-N 1 0 204.273 2.370 20 30 BEEDRO CSCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000309080308 349856501 /nfs/dbraw/zinc/85/65/01/349856501.db2.gz OOJFOHWGNREIHW-UHFFFAOYSA-N 1 0 220.341 2.319 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)n1 ZINC000602479921 343761968 /nfs/dbraw/zinc/76/19/68/343761968.db2.gz SEACQBQZXHBGQU-LBPRGKRZSA-N 1 0 227.311 2.185 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000584133482 343764004 /nfs/dbraw/zinc/76/40/04/343764004.db2.gz XVRZSNNQODBJFH-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000393252742 343779405 /nfs/dbraw/zinc/77/94/05/343779405.db2.gz DWQKRBRUEOCESH-QJPTWQEYSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(CC)no2)C1 ZINC000625699929 344038612 /nfs/dbraw/zinc/03/86/12/344038612.db2.gz INUCRDFLRBZTPF-SNVBAGLBSA-N 1 0 221.304 2.030 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ncc(C)o2)C1 ZINC000625699915 344038628 /nfs/dbraw/zinc/03/86/28/344038628.db2.gz DWRYDLHAPMFXKD-NSHDSACASA-N 1 0 206.289 2.381 20 30 BEEDRO CN(CCC#N)CCCC[NH+]1CCCCC1 ZINC000603110005 349870707 /nfs/dbraw/zinc/87/07/07/349870707.db2.gz JAXUMMYNSMESBF-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(CC)no2)C1 ZINC000625699925 344038713 /nfs/dbraw/zinc/03/87/13/344038713.db2.gz INUCRDFLRBZTPF-JTQLQIEISA-N 1 0 221.304 2.030 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(=O)c(OC)co2)C1 ZINC000625699916 344039028 /nfs/dbraw/zinc/03/90/28/344039028.db2.gz DWTGRNLGEJHJEZ-LLVKDONJSA-N 1 0 249.310 2.046 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cccc(OC)n2)C1 ZINC000625701512 344039150 /nfs/dbraw/zinc/03/91/50/344039150.db2.gz SIECKBMOABBNFW-LBPRGKRZSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NC(C)(C)CC)C1 ZINC000625699494 344039194 /nfs/dbraw/zinc/03/91/94/344039194.db2.gz FOFQXYOOVUAEGN-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nccn2CC)C1 ZINC000625700053 344039766 /nfs/dbraw/zinc/03/97/66/344039766.db2.gz HKULXMFGHYNFBK-LBPRGKRZSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](CC=C)C1 ZINC000625701219 344041364 /nfs/dbraw/zinc/04/13/64/344041364.db2.gz PHOJVYHIZGDGQR-CHWSQXEVSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](C)CCO)C1CC1 ZINC000121452679 349879900 /nfs/dbraw/zinc/87/99/00/349879900.db2.gz ZVYKARWUEVRWCU-YPMHNXCESA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@](C)(O)COC)C1 ZINC000651818836 537823733 /nfs/dbraw/zinc/82/37/33/537823733.db2.gz HIGITQJFEVUIDD-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC000625700985 344041126 /nfs/dbraw/zinc/04/11/26/344041126.db2.gz FZWKRFPHVFMMGN-LBPRGKRZSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)CCOC(C)C)C1 ZINC000625700970 344041208 /nfs/dbraw/zinc/04/12/08/344041208.db2.gz FZGBTXIENWOBSN-ZIAGYGMSSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000336724782 347004003 /nfs/dbraw/zinc/00/40/03/347004003.db2.gz FSQJVXDKSZFNDY-QWRGUYRKSA-N 1 0 226.364 2.091 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cccc(C#N)c2)[C@@H](C)C1 ZINC000286631016 343887210 /nfs/dbraw/zinc/88/72/10/343887210.db2.gz SNQYTXHOKDRVOC-ZDUSSCGKSA-N 1 0 243.354 2.084 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cccc(C#N)c2)[C@H](C)C1 ZINC000286631013 343897799 /nfs/dbraw/zinc/89/77/99/343897799.db2.gz SNQYTXHOKDRVOC-CYBMUJFWSA-N 1 0 243.354 2.084 20 30 BEEDRO C[N@@H+]1C[C@@H]2CCCN(c3ccc(C#N)cc3)[C@@H]2C1 ZINC000334670874 343899452 /nfs/dbraw/zinc/89/94/52/343899452.db2.gz IVQSWTADBSWTPF-DZGCQCFKSA-N 1 0 241.338 2.089 20 30 BEEDRO CC1CC([NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000334677556 343901398 /nfs/dbraw/zinc/90/13/98/343901398.db2.gz YGCQRSRVSKYGSY-UHFFFAOYSA-N 1 0 240.310 2.094 20 30 BEEDRO C[C@@H]1CSCC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602635654 343941060 /nfs/dbraw/zinc/94/10/60/343941060.db2.gz UUVWAIPVENCMKC-NSHDSACASA-N 1 0 247.367 2.138 20 30 BEEDRO Cc1ccc(CNCc2ccc(C#N)o2)cn1 ZINC000135150726 343943470 /nfs/dbraw/zinc/94/34/70/343943470.db2.gz IAFVQAJJQFBJHP-UHFFFAOYSA-N 1 0 227.267 2.145 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](O)COC(C)C ZINC000634725077 343945499 /nfs/dbraw/zinc/94/54/99/343945499.db2.gz GPVSJDLIWFNIET-CYBMUJFWSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@H](O)COC(C)C ZINC000634725078 343945708 /nfs/dbraw/zinc/94/57/08/343945708.db2.gz GPVSJDLIWFNIET-ZDUSSCGKSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[N@@H+](C[C@H](OCC)C1CC1)[C@H](C)COC ZINC000625531171 343920010 /nfs/dbraw/zinc/92/00/10/343920010.db2.gz YGJOTKQGBZKOPX-OCCSQVGLSA-N 1 0 241.375 2.324 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631087817 343934798 /nfs/dbraw/zinc/93/47/98/343934798.db2.gz HBIDNYNEECCKRR-SNVBAGLBSA-N 1 0 218.300 2.309 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000631087816 343935036 /nfs/dbraw/zinc/93/50/36/343935036.db2.gz HBIDNYNEECCKRR-JTQLQIEISA-N 1 0 218.300 2.309 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC000625701398 344042832 /nfs/dbraw/zinc/04/28/32/344042832.db2.gz RAXVRJAYKJLCCF-LBPRGKRZSA-N 1 0 232.327 2.488 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCc2ccc(O)cc2)o1 ZINC000135163793 343957879 /nfs/dbraw/zinc/95/78/79/343957879.db2.gz VCWGWMSCRSEIEE-UHFFFAOYSA-N 1 0 242.278 2.189 20 30 BEEDRO CC(C)(C#N)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000335882248 344046576 /nfs/dbraw/zinc/04/65/76/344046576.db2.gz DTSPXXCVTQTRJG-JSGCOSHPSA-N 1 0 247.386 2.237 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](c1ccccn1)C1CCC1 ZINC000625787138 344074683 /nfs/dbraw/zinc/07/46/83/344074683.db2.gz WDQXHZQDVNBZHX-LSDHHAIUSA-N 1 0 246.354 2.449 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCn2ccnc2C)C1 ZINC000625703399 344048149 /nfs/dbraw/zinc/04/81/49/344048149.db2.gz KSDVUZOQNVFHQF-AWEZNQCLSA-N 1 0 233.359 2.480 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000625703840 344048338 /nfs/dbraw/zinc/04/83/38/344048338.db2.gz TYSYCFLFMJKJCG-GFCCVEGCSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCn2ccnc2C)C1 ZINC000625704633 344049722 /nfs/dbraw/zinc/04/97/22/344049722.db2.gz ZBTNPPHBKJTLET-CYBMUJFWSA-N 1 0 219.332 2.090 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(CCC)no2)C1 ZINC000625702065 344052289 /nfs/dbraw/zinc/05/22/89/344052289.db2.gz RXYJPVHIJIVYJR-NSHDSACASA-N 1 0 235.331 2.420 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000625701942 344052460 /nfs/dbraw/zinc/05/24/60/344052460.db2.gz UVXBYWSOKOIBEG-LBPRGKRZSA-N 1 0 202.301 2.480 20 30 BEEDRO C=CC[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC000625701971 344052612 /nfs/dbraw/zinc/05/26/12/344052612.db2.gz VHXMSGKALAIDFS-LBPRGKRZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2snnc2C)C1 ZINC000625701854 344052983 /nfs/dbraw/zinc/05/29/83/344052983.db2.gz LTNIMGCEYJOOIQ-JTQLQIEISA-N 1 0 223.345 2.245 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625775144 344071207 /nfs/dbraw/zinc/07/12/07/344071207.db2.gz XKTUXUSPLYDVMP-XQQFMLRXSA-N 1 0 241.400 2.283 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634744762 344166634 /nfs/dbraw/zinc/16/66/34/344166634.db2.gz JUVVXZONUVDZCL-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO COc1cc(C[N@H+](C)CCCC#N)ccc1O ZINC000080847605 344134503 /nfs/dbraw/zinc/13/45/03/344134503.db2.gz MZIDTISFSSSNOR-UHFFFAOYSA-N 1 0 234.299 2.136 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc(C)c1 ZINC000152922928 166202675 /nfs/dbraw/zinc/20/26/75/166202675.db2.gz LCUZQQVCLRAZSQ-UHFFFAOYSA-N 1 0 219.353 2.451 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1cnccn1 ZINC000129364786 344213253 /nfs/dbraw/zinc/21/32/53/344213253.db2.gz LOIJHARVDAJTKQ-JTQLQIEISA-N 1 0 223.345 2.046 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccco1 ZINC000130011605 344217933 /nfs/dbraw/zinc/21/79/33/344217933.db2.gz YOOLZRHOXLBLSW-SNVBAGLBSA-N 1 0 209.314 2.297 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(COC)c1 ZINC000130490039 344221792 /nfs/dbraw/zinc/22/17/92/344221792.db2.gz LVRZZDMICUBDQY-NSHDSACASA-N 1 0 205.301 2.497 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(OC)cc1 ZINC000152950596 166202978 /nfs/dbraw/zinc/20/29/78/166202978.db2.gz PUDVNBGFGYLHIE-UHFFFAOYSA-N 1 0 235.352 2.151 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1ccc(F)cc1C ZINC000087001386 344227309 /nfs/dbraw/zinc/22/73/09/344227309.db2.gz YVUUZWBDRSSPOB-UHFFFAOYSA-N 1 0 249.333 2.157 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(OC)ccn1 ZINC000106933432 347039462 /nfs/dbraw/zinc/03/94/62/347039462.db2.gz CMTKWPYLEZFTDW-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=C(C[NH2+][C@@H](C)COC)c1ccccc1 ZINC000132312350 344298939 /nfs/dbraw/zinc/29/89/39/344298939.db2.gz SKHPHTMNOUKJHS-LBPRGKRZSA-N 1 0 205.301 2.324 20 30 BEEDRO CCN(CC(=O)Nc1sccc1C#N)C1CC1 ZINC000029912343 344268178 /nfs/dbraw/zinc/26/81/78/344268178.db2.gz CSRZCPPEWGGFAS-UHFFFAOYSA-N 1 0 249.339 2.043 20 30 BEEDRO C[C@@H](CCC1CC1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600734394 344364665 /nfs/dbraw/zinc/36/46/65/344364665.db2.gz JJWVCEOHYRQUNJ-AAEUAGOBSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C)CC[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600731932 344364739 /nfs/dbraw/zinc/36/47/39/344364739.db2.gz NXYKPZYWCWZVHS-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H](CCC1CC1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600734396 344364772 /nfs/dbraw/zinc/36/47/72/344364772.db2.gz JJWVCEOHYRQUNJ-DGCLKSJQSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 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CC(C)CC[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600717795 344362630 /nfs/dbraw/zinc/36/26/30/344362630.db2.gz NKZUFDUWEFEHSW-OLZOCXBDSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600750931 344368255 /nfs/dbraw/zinc/36/82/55/344368255.db2.gz XSNVOQXDTDDENP-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600731725 344364517 /nfs/dbraw/zinc/36/45/17/344364517.db2.gz ZEKKWCGXRNXBAO-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO CO[C@H](C[N@H+](CCC#N)C(C)C)C1CC1 ZINC000400185624 344420875 /nfs/dbraw/zinc/42/08/75/344420875.db2.gz RFQOLGRKQLXHDX-GFCCVEGCSA-N 1 0 210.321 2.035 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)ccn1 ZINC000400212709 344428969 /nfs/dbraw/zinc/42/89/69/344428969.db2.gz JUPCOBMXYGUBLS-ZDUSSCGKSA-N 1 0 227.311 2.185 20 30 BEEDRO Cc1nc(C#N)n(CCC[NH+]2CCCCC2)c1C ZINC000603426867 344395430 /nfs/dbraw/zinc/39/54/30/344395430.db2.gz QWDJNECJOMKUAD-UHFFFAOYSA-N 1 0 246.358 2.248 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)C1CCC1 ZINC000119639141 344446657 /nfs/dbraw/zinc/44/66/57/344446657.db2.gz BMCCHOKMLNEEAV-SECBINFHSA-N 1 0 204.273 2.429 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)cc2C)C1 ZINC000234892425 344448270 /nfs/dbraw/zinc/44/82/70/344448270.db2.gz PCNGIEQSBFPHTK-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO N#CCC[NH2+]CCc1ccccc1Cl ZINC000222736034 344457558 /nfs/dbraw/zinc/45/75/58/344457558.db2.gz NUQCMBOPKFRVOA-UHFFFAOYSA-N 1 0 208.692 2.386 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2ccc(C#N)cc2C)C[C@H]1O ZINC000400297385 344464388 /nfs/dbraw/zinc/46/43/88/344464388.db2.gz RMESHMDRYLUJEE-UKRRQHHQSA-N 1 0 244.338 2.069 20 30 BEEDRO CC(C)[NH2+][C@H]1CCCN(CCCCC#N)C1 ZINC000609385880 344470724 /nfs/dbraw/zinc/47/07/24/344470724.db2.gz GFRZACPRQFPGAC-ZDUSSCGKSA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135496649 344483669 /nfs/dbraw/zinc/48/36/69/344483669.db2.gz UUIWYAQUSXLDPN-DTWKUNHWSA-N 1 0 206.314 2.365 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000381260538 344490702 /nfs/dbraw/zinc/49/07/02/344490702.db2.gz DTKSJFTWVGNFSB-TUAOUCFPSA-N 1 0 212.337 2.329 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]CC1(CC#N)CC1)OC ZINC000381319450 344495350 /nfs/dbraw/zinc/49/53/50/344495350.db2.gz WBOMQQXYTVAHCR-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCN1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000336776340 537847400 /nfs/dbraw/zinc/84/74/00/537847400.db2.gz FOUZOBRDTKXKBY-UHFFFAOYSA-N 1 0 222.376 2.417 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C1CCC(CO)CC1 ZINC000119737186 344531627 /nfs/dbraw/zinc/53/16/27/344531627.db2.gz XCMKQOWRLIUEEB-UHFFFAOYSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC1([NH2+]C[C@H]2COCCO2)CCCCC1 ZINC000625934348 344573932 /nfs/dbraw/zinc/57/39/32/344573932.db2.gz KXQADYFFPJSMQN-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C[C@H]1OCC[N@H+](CCC(C)(C)C#N)[C@@H]1C ZINC000119740283 344535467 /nfs/dbraw/zinc/53/54/67/344535467.db2.gz RJWGRWHDWNMJSC-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCC1([NH2+]Cc2nnc(C)[nH]2)CCCCC1 ZINC000625934690 344574669 /nfs/dbraw/zinc/57/46/69/344574669.db2.gz WYLUDPWPPVUJHO-UHFFFAOYSA-N 1 0 234.347 2.482 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000237044501 344575140 /nfs/dbraw/zinc/57/51/40/344575140.db2.gz LVASZIUPEJPZFR-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC1([NH2+]CC(=O)NC2CC2)CCCCC1 ZINC000625937595 344575230 /nfs/dbraw/zinc/57/52/30/344575230.db2.gz ICOYTKFOVYRJKD-UHFFFAOYSA-N 1 0 236.359 2.134 20 30 BEEDRO C#CCCC[NH2+][C@@H](COC)c1ccccc1 ZINC000223721730 344581894 /nfs/dbraw/zinc/58/18/94/344581894.db2.gz UBABPJRRONZWMX-AWEZNQCLSA-N 1 0 217.312 2.377 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000259396058 344610618 /nfs/dbraw/zinc/61/06/18/344610618.db2.gz XIICGEFTKBYSMG-LBPRGKRZSA-N 1 0 215.300 2.207 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)Cc1ccsc1 ZINC000049181865 344601361 /nfs/dbraw/zinc/60/13/61/344601361.db2.gz ZPYFKQBJXVSDPN-UWVGGRQHSA-N 1 0 208.330 2.428 20 30 BEEDRO CC[N@H+](CCCCC#N)C[C@@H]1CCCO1 ZINC000049579443 344654318 /nfs/dbraw/zinc/65/43/18/344654318.db2.gz WMNJOQCYQKYVQU-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000625990370 344656552 /nfs/dbraw/zinc/65/65/52/344656552.db2.gz GFLDWFKGYOEVOZ-OCCSQVGLSA-N 1 0 248.326 2.173 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cc(C#N)cs1)C(C)(C)O ZINC000339536562 344665451 /nfs/dbraw/zinc/66/54/51/344665451.db2.gz DSEQIUJJNCZJRS-LLVKDONJSA-N 1 0 238.356 2.259 20 30 BEEDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000339084155 344621940 /nfs/dbraw/zinc/62/19/40/344621940.db2.gz XYJSWWJBYUQNFK-GXSJLCMTSA-N 1 0 236.290 2.119 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C#N)C12CCCC2 ZINC000085681137 347073490 /nfs/dbraw/zinc/07/34/90/347073490.db2.gz PLFYZFOWTXEMAX-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000075750023 344783462 /nfs/dbraw/zinc/78/34/62/344783462.db2.gz XYSQOMQLSIOCOG-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC#CC[NH+]1CCC(C(F)(F)F)CC1 ZINC000075996428 344789883 /nfs/dbraw/zinc/78/98/83/344789883.db2.gz CCLMTJMNKBGVKO-UHFFFAOYSA-N 1 0 205.223 2.284 20 30 BEEDRO C[C@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1C ZINC000076111673 344795850 /nfs/dbraw/zinc/79/58/50/344795850.db2.gz AMUXCCUEKTUZQW-TUAOUCFPSA-N 1 0 205.305 2.018 20 30 BEEDRO C=CCCCC[N@@H+](C)CCNC(=O)C(C)C ZINC000583363086 344815798 /nfs/dbraw/zinc/81/57/98/344815798.db2.gz SHTAAORSCKSQBY-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@@H](O)C[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000153366123 344858294 /nfs/dbraw/zinc/85/82/94/344858294.db2.gz RQYRAZVJEBZTEM-LLVKDONJSA-N 1 0 237.730 2.004 20 30 BEEDRO Cc1cc(C#N)ccc1N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000053712391 1172051095 /nfs/dbraw/zinc/05/10/95/1172051095.db2.gz ITRRIIVYLCWTGQ-TXEJJXNPSA-N 1 0 229.327 2.053 20 30 BEEDRO C=CC[NH+]1CCC(C2CCOCC2)CC1 ZINC000153476406 344884862 /nfs/dbraw/zinc/88/48/62/344884862.db2.gz UFZAFWGMRJJNGS-UHFFFAOYSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCn1ccnc1)C1CC1 ZINC000119851647 344868321 /nfs/dbraw/zinc/86/83/21/344868321.db2.gz VKDNTRMRTPVTFA-CYBMUJFWSA-N 1 0 219.332 2.218 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C#N)s1 ZINC000120845530 344902480 /nfs/dbraw/zinc/90/24/80/344902480.db2.gz IIJDHRBHPIPBFO-UHFFFAOYSA-N 1 0 236.340 2.302 20 30 BEEDRO CNC(NCC1(c2ccccc2)CCCC1)=[NH+]C ZINC000122466399 344959541 /nfs/dbraw/zinc/95/95/41/344959541.db2.gz ARMFETDPUIRXSR-UHFFFAOYSA-N 1 0 245.370 2.293 20 30 BEEDRO COC(=O)c1ccc(C[N@H+](C)CCCC#N)cc1 ZINC000122832034 344975487 /nfs/dbraw/zinc/97/54/87/344975487.db2.gz XUCMIZYBTXZDRU-UHFFFAOYSA-N 1 0 246.310 2.209 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000234839384 537879307 /nfs/dbraw/zinc/87/93/07/537879307.db2.gz BSMLWVFTKFUJBI-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000234893282 537881197 /nfs/dbraw/zinc/88/11/97/537881197.db2.gz BSMLWVFTKFUJBI-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000309266416 534983052 /nfs/dbraw/zinc/98/30/52/534983052.db2.gz CGBIDIMDUWIYCC-LLVKDONJSA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1cc(CON=C(N)CCC(C)C)no1 ZINC000123414472 344999299 /nfs/dbraw/zinc/99/92/99/344999299.db2.gz JYNJLJGHGAQAPB-UHFFFAOYSA-N 1 0 225.292 2.208 20 30 BEEDRO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CC=CCC1 ZINC000402573081 345079238 /nfs/dbraw/zinc/07/92/38/345079238.db2.gz FNJGSLCWWJDWDH-VXGBXAGGSA-N 1 0 223.316 2.002 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000336375795 534985855 /nfs/dbraw/zinc/98/58/55/534985855.db2.gz GYNLJFPZUASKLB-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000155139607 345066259 /nfs/dbraw/zinc/06/62/59/345066259.db2.gz UBPUFOZHSPTLCI-LBPRGKRZSA-N 1 0 217.316 2.003 20 30 BEEDRO CC[NH+]1CCC(CNc2cc(C#N)ccn2)CC1 ZINC000044526383 345106184 /nfs/dbraw/zinc/10/61/84/345106184.db2.gz ODZPLMDLABAFMQ-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000292028342 534988124 /nfs/dbraw/zinc/98/81/24/534988124.db2.gz YUHKUVMIAWJOAC-GFCCVEGCSA-N 1 0 232.331 2.070 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCOC1(C)C ZINC000336894691 534988795 /nfs/dbraw/zinc/98/87/95/534988795.db2.gz MAGBXBUXOAQEBF-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OCC=C)c1 ZINC000289339502 166211853 /nfs/dbraw/zinc/21/18/53/166211853.db2.gz HPSRTLRFIWNCLF-GFCCVEGCSA-N 1 0 215.296 2.363 20 30 BEEDRO C=CCC1([NH2+]CC23CC(C2)C[NH2+]3)CCCC1 ZINC000634996526 345188346 /nfs/dbraw/zinc/18/83/46/345188346.db2.gz MQBXUAPMLJSMGE-UHFFFAOYSA-N 1 0 220.360 2.217 20 30 BEEDRO C=CC[N@@H+](C)Cc1ncc(C)c(OC)c1C ZINC000127152535 345159633 /nfs/dbraw/zinc/15/96/33/345159633.db2.gz JSUYJWDUCSJCBI-UHFFFAOYSA-N 1 0 220.316 2.325 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](CCCC)CCCO ZINC000678799917 488284888 /nfs/dbraw/zinc/28/48/88/488284888.db2.gz YUQFKGZGVDWJPN-CYBMUJFWSA-N 1 0 211.349 2.273 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000158314885 345322362 /nfs/dbraw/zinc/32/23/62/345322362.db2.gz INZQUZICNIOEEJ-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)C[C@@H](O)C1CC1 ZINC000618284596 345287322 /nfs/dbraw/zinc/28/73/22/345287322.db2.gz ZIEQQAMBZWGWNW-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000158159825 345307693 /nfs/dbraw/zinc/30/76/93/345307693.db2.gz RAWRGSAGUSIWQY-WCQYABFASA-N 1 0 232.327 2.157 20 30 BEEDRO N#CCCC[N@@H+]1CCc2ccsc2C1 ZINC000132807694 345346289 /nfs/dbraw/zinc/34/62/89/345346289.db2.gz XLAYETKQTFIZHO-UHFFFAOYSA-N 1 0 206.314 2.410 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000132924322 345352527 /nfs/dbraw/zinc/35/25/27/345352527.db2.gz SZVMESLARCIHSS-LBPRGKRZSA-N 1 0 237.368 2.433 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccccc1[N+](=O)[O-] ZINC000133657447 345382236 /nfs/dbraw/zinc/38/22/36/345382236.db2.gz GXINCBXJVIVFDX-UHFFFAOYSA-N 1 0 237.259 2.040 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nnc2n1CCC2 ZINC000228677614 345382443 /nfs/dbraw/zinc/38/24/43/345382443.db2.gz WMAIFINOHLPJAH-QWRGUYRKSA-N 1 0 234.347 2.230 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccc(OCC#N)cc1 ZINC000132522029 345333682 /nfs/dbraw/zinc/33/36/82/345333682.db2.gz GKWUBHLWXIBVHD-NWDGAFQWSA-N 1 0 248.326 2.010 20 30 BEEDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000132521841 345333801 /nfs/dbraw/zinc/33/38/01/345333801.db2.gz GKWUBHLWXIBVHD-NEPJUHHUSA-N 1 0 248.326 2.010 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)C1CCOCC1)C(C)(C)C ZINC000381347205 345432725 /nfs/dbraw/zinc/43/27/25/345432725.db2.gz ZKSYLLVCRJUSRG-DGCLKSJQSA-N 1 0 223.360 2.439 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000248633179 345438220 /nfs/dbraw/zinc/43/82/20/345438220.db2.gz RZGQCRAMLDSINI-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CCN(C[C@@H](C)C#N)[C@H](C)c1cnccn1 ZINC000248636182 345438554 /nfs/dbraw/zinc/43/85/54/345438554.db2.gz VOQXHDGHKCAPHO-WDEREUQCSA-N 1 0 218.304 2.019 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000248635563 345438917 /nfs/dbraw/zinc/43/89/17/345438917.db2.gz UJZDYKHIDDKXAX-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO CC(C)(CCC#N)CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000371418703 534995341 /nfs/dbraw/zinc/99/53/41/534995341.db2.gz FESDIJQNALJZSI-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCN1CCO[C@@]2(CCc3ccccc32)C1 ZINC000158934836 345391859 /nfs/dbraw/zinc/39/18/59/345391859.db2.gz VRZFTEYMKIHHAC-HNNXBMFYSA-N 1 0 229.323 2.346 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373328011 534997116 /nfs/dbraw/zinc/99/71/16/534997116.db2.gz JXUCCLMTEBPWMP-AWEZNQCLSA-N 1 0 236.359 2.163 20 30 BEEDRO CCC1([NH2+][C@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000335731194 345507284 /nfs/dbraw/zinc/50/72/84/345507284.db2.gz VYTHZLBWPJOTSK-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000194633955 192089070 /nfs/dbraw/zinc/08/90/70/192089070.db2.gz CLECTMINMXSXMH-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000091083710 345578015 /nfs/dbraw/zinc/57/80/15/345578015.db2.gz KJUARCJYGYRZNA-UHFFFAOYSA-N 1 0 232.318 2.225 20 30 BEEDRO CCC(N)=[NH+]OCCCc1ccccc1 ZINC000088512075 345541698 /nfs/dbraw/zinc/54/16/98/345541698.db2.gz BQIXUTWEVZDIMF-UHFFFAOYSA-N 1 0 206.289 2.318 20 30 BEEDRO CCc1nccn1[C@H]1CCCN(C(C)(C)C#N)C1 ZINC000160979026 345519275 /nfs/dbraw/zinc/51/92/75/345519275.db2.gz FZUKJUQHLBKMNB-LBPRGKRZSA-N 1 0 246.358 2.385 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](CNc2cnccc2C#N)C1 ZINC000091457395 345593165 /nfs/dbraw/zinc/59/31/65/345593165.db2.gz ZOCVJEOWRSFVFU-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(CO)CC1 ZINC000091508531 345595531 /nfs/dbraw/zinc/59/55/31/345595531.db2.gz SDZFXHGPOFLBRR-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCOc1ccccc1CN1CC[NH2+][C@H](C)C1 ZINC000092456986 345621125 /nfs/dbraw/zinc/62/11/25/345621125.db2.gz LESXXBIFQZMKQS-CYBMUJFWSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CCOc1ccccc1C[N@@H+](C)CC[C@@H](C)O ZINC000093481438 345672820 /nfs/dbraw/zinc/67/28/20/345672820.db2.gz FCDVUSLQMBZDHP-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1 ZINC000093481088 345673112 /nfs/dbraw/zinc/67/31/12/345673112.db2.gz KMFZBLRWFRBMOR-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000093503500 345674460 /nfs/dbraw/zinc/67/44/60/345674460.db2.gz KDLSLUJITMAKGT-AOOOYVTPSA-N 1 0 204.273 2.239 20 30 BEEDRO CC[NH+](CC)CCc1ccc(C#N)cc1 ZINC000261042675 345702774 /nfs/dbraw/zinc/70/27/74/345702774.db2.gz IBECVIVVNWBSKJ-UHFFFAOYSA-N 1 0 202.301 2.443 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOCc1ccccc1 ZINC000307481830 345801057 /nfs/dbraw/zinc/80/10/57/345801057.db2.gz QAYAXWIJRHQHFJ-CQSZACIVSA-N 1 0 232.327 2.485 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cc1ccoc1 ZINC000449243563 201846931 /nfs/dbraw/zinc/84/69/31/201846931.db2.gz LSRRBROIXSUQFJ-CMPLNLGQSA-N 1 0 206.289 2.492 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000449307329 201865078 /nfs/dbraw/zinc/86/50/78/201865078.db2.gz ZGBZDTYHHIAEJY-BXUZGUMPSA-N 1 0 246.379 2.442 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000307764985 345948983 /nfs/dbraw/zinc/94/89/83/345948983.db2.gz OOIHMXHEGUBRIG-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CCOC1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000585726819 345982455 /nfs/dbraw/zinc/98/24/55/345982455.db2.gz RZLGOVFYRFGLIV-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(F)cc2C#N)C[C@@H]1C ZINC000111036803 346018640 /nfs/dbraw/zinc/01/86/40/346018640.db2.gz KOLKUOMAUOFEMJ-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO Cn1nc2c(c1C[NH2+]CCCCC#N)CCCC2 ZINC000601106183 346061138 /nfs/dbraw/zinc/06/11/38/346061138.db2.gz UXGKXIWVORGOPW-UHFFFAOYSA-N 1 0 246.358 2.082 20 30 BEEDRO C=CCC[C@H](CO)Nc1cc[nH+]c(CC)c1 ZINC000320263227 323104538 /nfs/dbraw/zinc/10/45/38/323104538.db2.gz KAIDRSLGZMHSSS-CYBMUJFWSA-N 1 0 220.316 2.383 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635774424 346061239 /nfs/dbraw/zinc/06/12/39/346061239.db2.gz GUUIZCMLVIJROV-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO COCC1CCC([NH2+]C[C@@H](C#N)CCC#N)CC1 ZINC000571040027 323104518 /nfs/dbraw/zinc/10/45/18/323104518.db2.gz PFLXNPJAGIXKGU-ROKHWSDSSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635839532 346082974 /nfs/dbraw/zinc/08/29/74/346082974.db2.gz CIWJYFVRMOHDMF-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000635867019 346097962 /nfs/dbraw/zinc/09/79/62/346097962.db2.gz MOYWAISWWAEPNU-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000161274169 346167233 /nfs/dbraw/zinc/16/72/33/346167233.db2.gz DQFMBRRXQYLZIC-CYBMUJFWSA-N 1 0 205.301 2.060 20 30 BEEDRO C#C[C@H](C)NCc1ncc(C(F)(F)F)s1 ZINC000289637333 346207327 /nfs/dbraw/zinc/20/73/27/346207327.db2.gz XIIXZLPIWAIDLA-LURJTMIESA-N 1 0 234.246 2.273 20 30 BEEDRO N#CC1(C[NH2+]Cc2ccc(=O)[nH]c2)CCCCC1 ZINC000601132499 346212593 /nfs/dbraw/zinc/21/25/93/346212593.db2.gz IFUSBDSUUDRZBF-UHFFFAOYSA-N 1 0 245.326 2.351 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000628236048 346190259 /nfs/dbraw/zinc/19/02/59/346190259.db2.gz NUDGXMWWDXQCNQ-VIFPVBQESA-N 1 0 219.275 2.212 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000575132369 346195126 /nfs/dbraw/zinc/19/51/26/346195126.db2.gz AJWHZVDXKJYQPE-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000289682986 346260421 /nfs/dbraw/zinc/26/04/21/346260421.db2.gz CLQJCFGGLRCJAF-NSHDSACASA-N 1 0 229.682 2.116 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)C#N)C1CCSCC1 ZINC000192719980 365809064 /nfs/dbraw/zinc/80/90/64/365809064.db2.gz PVHHIKHQVYLLBQ-NXEZZACHSA-N 1 0 212.362 2.267 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000289695022 346286831 /nfs/dbraw/zinc/28/68/31/346286831.db2.gz DEZVPTPVQBRDEB-SECBINFHSA-N 1 0 240.372 2.077 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CC1(CC)CCOCC1 ZINC000641759575 362691124 /nfs/dbraw/zinc/69/11/24/362691124.db2.gz GOHQMXWGLYWNTR-CYBMUJFWSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccncc1N ZINC000641757592 362686446 /nfs/dbraw/zinc/68/64/46/362686446.db2.gz ZNEPSGHEJFDWCC-UHFFFAOYSA-N 1 0 219.332 2.356 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000161645643 346354283 /nfs/dbraw/zinc/35/42/83/346354283.db2.gz SCHNIHDPSLUTMY-ZJUUUORDSA-N 1 0 207.321 2.344 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1ccsc1 ZINC000295066164 346354653 /nfs/dbraw/zinc/35/46/53/346354653.db2.gz ROFZESZXFZWCAW-LBPRGKRZSA-N 1 0 236.384 2.354 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cnn(C)c1 ZINC000281438864 346358490 /nfs/dbraw/zinc/35/84/90/346358490.db2.gz CQQOHEMHIDMWDE-ZYHUDNBSSA-N 1 0 207.321 2.425 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc(CC)c1 ZINC000641766762 362699644 /nfs/dbraw/zinc/69/96/44/362699644.db2.gz BKMBDIJOJOPQIF-HNNXBMFYSA-N 1 0 231.339 2.113 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1csc(C)c1C ZINC000641767420 362700253 /nfs/dbraw/zinc/70/02/53/362700253.db2.gz KRQGQZQWIBHVPL-ZDUSSCGKSA-N 1 0 237.368 2.229 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000641767899 362703033 /nfs/dbraw/zinc/70/30/33/362703033.db2.gz SBOSLUBAWNUNQT-RFQIPJPRSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](CC)C1 ZINC000641769710 362704621 /nfs/dbraw/zinc/70/46/21/362704621.db2.gz YLFQTYXSGVVRFR-BFHYXJOUSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636155893 346338271 /nfs/dbraw/zinc/33/82/71/346338271.db2.gz DKCQRVQWAIGPOL-JHJVBQTASA-N 1 0 238.375 2.188 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000641768272 362705792 /nfs/dbraw/zinc/70/57/92/362705792.db2.gz YSBQZJZRGHCODB-IGQOVBAYSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)CC1 ZINC000641768463 362707064 /nfs/dbraw/zinc/70/70/64/362707064.db2.gz ZLBFTQLSVRJDNZ-BFHYXJOUSA-N 1 0 223.360 2.319 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000281976192 346372832 /nfs/dbraw/zinc/37/28/32/346372832.db2.gz BRZOICIGFWEUPS-ONGXEEELSA-N 1 0 207.321 2.344 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1OCC1CC1 ZINC000641773504 362712896 /nfs/dbraw/zinc/71/28/96/362712896.db2.gz JFVPEYVVGSYWJH-CQSZACIVSA-N 1 0 247.338 2.112 20 30 BEEDRO C=C(Cl)CN[C@@H](C)c1cn(C)nc1C ZINC000161732249 346382893 /nfs/dbraw/zinc/38/28/93/346382893.db2.gz IMKOJGWHICFGOS-QMMMGPOBSA-N 1 0 213.712 2.132 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000291441136 346385752 /nfs/dbraw/zinc/38/57/52/346385752.db2.gz BWCLDGLVEQMOFW-ZWNOBZJWSA-N 1 0 223.291 2.066 20 30 BEEDRO CC[N@@H+](Cc1cncc(C#N)c1)CC(C)C ZINC000669379354 537977176 /nfs/dbraw/zinc/97/71/76/537977176.db2.gz YVAIWGVFZMOYAL-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CCOC[C@H]1CCCO1 ZINC000574952549 346439559 /nfs/dbraw/zinc/43/95/59/346439559.db2.gz VWLVDTGAHXKYKD-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000449478622 201936206 /nfs/dbraw/zinc/93/62/06/201936206.db2.gz SAJIFJUGZJUHMQ-INIZCTEOSA-N 1 0 237.368 2.480 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000574957508 346462013 /nfs/dbraw/zinc/46/20/13/346462013.db2.gz WNBMJSHSCPNEQH-LBPRGKRZSA-N 1 0 224.348 2.073 20 30 BEEDRO CC[C@](C)(C[NH2+][C@H]1CC[C@H](C#N)C1)OC ZINC000449480165 201937179 /nfs/dbraw/zinc/93/71/79/201937179.db2.gz XNSDLYYYYXTWIA-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C#CC[NH2+]C(C)(C)c1ccccc1OC ZINC000103484407 346580018 /nfs/dbraw/zinc/58/00/18/346580018.db2.gz SLVHFQIWQABDAL-UHFFFAOYSA-N 1 0 203.285 2.153 20 30 BEEDRO C=C(C)C[NH2+][C@](C)(CC(=O)OC)c1ccncc1 ZINC000589162927 346670800 /nfs/dbraw/zinc/67/08/00/346670800.db2.gz ZEWZGQAPSFJLQI-CQSZACIVSA-N 1 0 248.326 2.026 20 30 BEEDRO N#Cc1csc(CN2CCC[C@H]2C2CC2)n1 ZINC000589498487 346709089 /nfs/dbraw/zinc/70/90/89/346709089.db2.gz RYCOZDMOKQUGCK-NSHDSACASA-N 1 0 233.340 2.389 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000181801201 346768261 /nfs/dbraw/zinc/76/82/61/346768261.db2.gz WBHZFNXPWSYKHA-NEPJUHHUSA-N 1 0 220.316 2.059 20 30 BEEDRO COCC1(C[N@@H+]2CCC[C@@](C)(C#N)C2)CCC1 ZINC000589742383 346734757 /nfs/dbraw/zinc/73/47/57/346734757.db2.gz PMCCUMGKVIEPJF-ZDUSSCGKSA-N 1 0 236.359 2.429 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000589822147 346739859 /nfs/dbraw/zinc/73/98/59/346739859.db2.gz JVBXGWYRKRNDPO-ZIAGYGMSSA-N 1 0 248.301 2.090 20 30 BEEDRO CCOC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000590155823 346782186 /nfs/dbraw/zinc/78/21/86/346782186.db2.gz BONRUGBANMMELR-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO CCOC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000590155824 346782410 /nfs/dbraw/zinc/78/24/10/346782410.db2.gz BONRUGBANMMELR-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](n3ccnc3)C2)C1 ZINC000590158601 346782791 /nfs/dbraw/zinc/78/27/91/346782791.db2.gz DSTZXWKNIYLLSE-MGPQQGTHSA-N 1 0 244.342 2.212 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QJGUGROMIGSZML-OCCSQVGLSA-N 1 0 242.326 2.046 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH2+]C[C@@H](C#N)CCC#N ZINC000582117448 347385320 /nfs/dbraw/zinc/38/53/20/347385320.db2.gz QJGUGROMIGSZML-GXTWGEPZSA-N 1 0 242.326 2.046 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000192870664 347386290 /nfs/dbraw/zinc/38/62/90/347386290.db2.gz QEUXPXIMVUADJB-BPLDGKMQSA-N 1 0 244.338 2.392 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000193302568 347395062 /nfs/dbraw/zinc/39/50/62/347395062.db2.gz ISJYEBWIZNPYAC-QWHCGFSZSA-N 1 0 249.333 2.242 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc(O)c1OC ZINC000276080279 166259425 /nfs/dbraw/zinc/25/94/25/166259425.db2.gz BBNDAECYGRTDMK-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C)c(OC)c1 ZINC000194328503 347418837 /nfs/dbraw/zinc/41/88/37/347418837.db2.gz QLBOPLSJFBVUIL-UHFFFAOYSA-N 1 0 249.379 2.460 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000590648020 347485904 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ZINC000591375670 347650294 /nfs/dbraw/zinc/65/02/94/347650294.db2.gz QCPNUZVEIXKSNZ-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO COc1ccc(C[N@H+](C)[C@@H](C)CCC#N)cn1 ZINC000591019635 347607511 /nfs/dbraw/zinc/60/75/11/347607511.db2.gz JNYUWWMQNJRSMH-NSHDSACASA-N 1 0 233.315 2.214 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)c1cccc(C#N)c1 ZINC000590169993 347608900 /nfs/dbraw/zinc/60/89/00/347608900.db2.gz RTUZQVPFLGOSRF-LBPRGKRZSA-N 1 0 243.310 2.139 20 30 BEEDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCC1(C#N)CCCCC1 ZINC000591039588 347609764 /nfs/dbraw/zinc/60/97/64/347609764.db2.gz FNXDOCVPSQUFSN-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)CC1 ZINC000591026598 347610925 /nfs/dbraw/zinc/61/09/25/347610925.db2.gz BVCBXMVJTSDIMO-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCC#N)[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000591026553 347611267 /nfs/dbraw/zinc/61/12/67/347611267.db2.gz PUFBRBCCWBUNHQ-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)CC1 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C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CCC1 ZINC000591757412 347691150 /nfs/dbraw/zinc/69/11/50/347691150.db2.gz ZSTZVUYJNRPXAZ-GHMZBOCLSA-N 1 0 205.305 2.208 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCc2ccccc21 ZINC000591735416 347693860 /nfs/dbraw/zinc/69/38/60/347693860.db2.gz VECORSQVFDRTKH-GFCCVEGCSA-N 1 0 200.285 2.220 20 30 BEEDRO N#CCC[NH2+]CCCc1cccc(F)c1 ZINC000591735600 347694869 /nfs/dbraw/zinc/69/48/69/347694869.db2.gz SALIQFLZGCCREU-UHFFFAOYSA-N 1 0 206.264 2.262 20 30 BEEDRO Cc1ccc(CC[C@@H](C)[NH2+]CCC#N)o1 ZINC000591744672 347695515 /nfs/dbraw/zinc/69/55/15/347695515.db2.gz WFVMVEFJELAMLI-SNVBAGLBSA-N 1 0 206.289 2.412 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000590777769 347696544 /nfs/dbraw/zinc/69/65/44/347696544.db2.gz DWYWFZSIABQSOC-OAHLLOKOSA-N 1 0 247.386 2.143 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000577278107 365914940 /nfs/dbraw/zinc/91/49/40/365914940.db2.gz PYRHANHJRNGYEZ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cccc(C)c1 ZINC000449517680 201948626 /nfs/dbraw/zinc/94/86/26/201948626.db2.gz GSKBSTNJCSUVDV-CABCVRRESA-N 1 0 231.339 2.471 20 30 BEEDRO COCC1(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000592392550 347776022 /nfs/dbraw/zinc/77/60/22/347776022.db2.gz KKBGFBURDUFAEG-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CC1(C)CCN(Cc2ccncc2C#N)C1 ZINC000592070048 347727703 /nfs/dbraw/zinc/72/77/03/347727703.db2.gz CRLMMUHUQVSQOO-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592072296 347728182 /nfs/dbraw/zinc/72/81/82/347728182.db2.gz SZIPXTWJMMCUIO-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000592072698 347728881 /nfs/dbraw/zinc/72/88/81/347728881.db2.gz WVGBQTNZVIYYNE-LBPRGKRZSA-N 1 0 229.327 2.431 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000592102258 347733956 /nfs/dbraw/zinc/73/39/56/347733956.db2.gz WVDSFCRMCMYWCC-KBPBESRZSA-N 1 0 236.359 2.429 20 30 BEEDRO 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2.407 20 30 BEEDRO CC[N@H+](CCSC)[C@H]1CC[C@H](C#N)C1 ZINC000592202667 347755112 /nfs/dbraw/zinc/75/51/12/347755112.db2.gz QAPLFVQBQQNPCV-QWRGUYRKSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC)C1 ZINC000449522053 201952492 /nfs/dbraw/zinc/95/24/92/201952492.db2.gz VNSGSZBQWQVCJS-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC[NH2+][C@@H](CO)C1CCCC1 ZINC000577340466 365928051 /nfs/dbraw/zinc/92/80/51/365928051.db2.gz ZDWJQMQUFPQXLR-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO CC(C)CCN(CCC#N)C[C@H]1CCC[N@@H+]1C ZINC000593016784 347845035 /nfs/dbraw/zinc/84/50/35/347845035.db2.gz VNWSBNXKVOZKDN-CQSZACIVSA-N 1 0 237.391 2.342 20 30 BEEDRO CC[C@H]1C[N@H+](CCCSCC#N)[C@H](C)CO1 ZINC000593063381 347848671 /nfs/dbraw/zinc/84/86/71/347848671.db2.gz MGIDLZRQFMDKDQ-NEPJUHHUSA-N 1 0 242.388 2.133 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CCO[C@@H](CC)C1)C(C)C ZINC000390678182 259398075 /nfs/dbraw/zinc/39/80/75/259398075.db2.gz YMLQZMZPTFZPRV-IHRRRGAJSA-N 1 0 223.360 2.439 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000679683919 488364677 /nfs/dbraw/zinc/36/46/77/488364677.db2.gz OYWCQZAPKCDQFA-VIFPVBQESA-N 1 0 205.248 2.266 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000679680968 488364305 /nfs/dbraw/zinc/36/43/05/488364305.db2.gz FDYFHVWBPRTDDK-QWRGUYRKSA-N 1 0 249.301 2.017 20 30 BEEDRO N#CCCC[NH2+]Cc1cc2cnccc2o1 ZINC000593615509 347915383 /nfs/dbraw/zinc/91/53/83/347915383.db2.gz QONTUBUFFBGWRX-UHFFFAOYSA-N 1 0 215.256 2.221 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([N@@H+](C)[C@@H](C)C[S@](C)=O)C1 ZINC000593614930 347915492 /nfs/dbraw/zinc/91/54/92/347915492.db2.gz IHYIKQWTMMVKGU-ZWUHOBOKSA-N 1 0 243.416 2.430 20 30 BEEDRO COC[C@H](CC(C)(C)C)[NH2+]C[C@H](C)C#N ZINC000593616269 347915932 /nfs/dbraw/zinc/91/59/32/347915932.db2.gz YIKNWLRXNQDHRH-MNOVXSKESA-N 1 0 212.337 2.187 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)CSC)C1 ZINC000593603204 347919143 /nfs/dbraw/zinc/91/91/43/347919143.db2.gz SOOPELAKQAPNLO-FRRDWIJNSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)[S@@](C)=O)C1 ZINC000593613027 347920924 /nfs/dbraw/zinc/92/09/24/347920924.db2.gz PJAORMPSKRKGIK-NFFDBFGFSA-N 1 0 243.416 2.478 20 30 BEEDRO N#CCCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000593943759 347976645 /nfs/dbraw/zinc/97/66/45/347976645.db2.gz NXTHHKYBMZQGHI-UHFFFAOYSA-N 1 0 234.303 2.034 20 30 BEEDRO CC(C)CC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000593945179 347976728 /nfs/dbraw/zinc/97/67/28/347976728.db2.gz RDGCPTSSFDQKLX-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCOc1ccc(F)cc1 ZINC000594011853 347985838 /nfs/dbraw/zinc/98/58/38/347985838.db2.gz ZOGZRZWZNFYUNO-GFCCVEGCSA-N 1 0 236.290 2.486 20 30 BEEDRO CC(C)OC(=O)C[C@H]([NH2+]CCCC#N)C(C)C ZINC000594045628 347988093 /nfs/dbraw/zinc/98/80/93/347988093.db2.gz JVVVDEIRBSIZTF-LBPRGKRZSA-N 1 0 240.347 2.246 20 30 BEEDRO CO[C@H](C[N@@H+]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594028711 347992249 /nfs/dbraw/zinc/99/22/49/347992249.db2.gz WDNZVUHSMFZBKS-OAHLLOKOSA-N 1 0 242.322 2.299 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594027590 347992320 /nfs/dbraw/zinc/99/23/20/347992320.db2.gz WSKBJASBQOKUPO-CYBMUJFWSA-N 1 0 222.332 2.324 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000253092148 347993302 /nfs/dbraw/zinc/99/33/02/347993302.db2.gz KNUYGVUPKLHKPM-BFHYXJOUSA-N 1 0 248.370 2.306 20 30 BEEDRO N#Cc1ccc(C2([NH2+]CCF)CCC2)cc1 ZINC000594033119 347993394 /nfs/dbraw/zinc/99/33/94/347993394.db2.gz IDVJTYWYMQFNDA-UHFFFAOYSA-N 1 0 218.275 2.497 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCSC1 ZINC000308643742 347983209 /nfs/dbraw/zinc/98/32/09/347983209.db2.gz GGWSALONMXFWQJ-MNOVXSKESA-N 1 0 212.362 2.411 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000594502634 348064302 /nfs/dbraw/zinc/06/43/02/348064302.db2.gz MHVFXDHJJYLRIR-UHFFFAOYSA-N 1 0 232.331 2.003 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000594520379 348069493 /nfs/dbraw/zinc/06/94/93/348069493.db2.gz NWFABTVCTJTYEB-BARDWOONSA-N 1 0 247.386 2.285 20 30 BEEDRO CC[C@H](C)CC[NH2+]C[C@H](C#N)CCC#N ZINC000594714013 348105020 /nfs/dbraw/zinc/10/50/20/348105020.db2.gz WDXJQNNXFIBTAV-RYUDHWBXSA-N 1 0 207.321 2.456 20 30 BEEDRO N#CC1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCCCC1 ZINC000594740555 348111123 /nfs/dbraw/zinc/11/11/23/348111123.db2.gz YWRGWRLEUVAHQR-CHWSQXEVSA-N 1 0 235.375 2.320 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000594877793 348117994 /nfs/dbraw/zinc/11/79/94/348117994.db2.gz DQZZDIIIPZJJIV-CYBMUJFWSA-N 1 0 245.322 2.478 20 30 BEEDRO Cc1n[nH]cc1CN1Cc2ccc(C#N)cc2C1 ZINC000594615034 348083372 /nfs/dbraw/zinc/08/33/72/348083372.db2.gz QZDSGEPKHWKMIW-UHFFFAOYSA-N 1 0 238.294 2.106 20 30 BEEDRO Cn1ncc(C2CCC2)c1C[NH2+]CCCC#N ZINC000594945247 348145074 /nfs/dbraw/zinc/14/50/74/348145074.db2.gz WVLVUECAONCKES-UHFFFAOYSA-N 1 0 232.331 2.081 20 30 BEEDRO Cc1c[nH]c(C[NH2+]CC(C)(C)CCC#N)n1 ZINC000594952978 348147815 /nfs/dbraw/zinc/14/78/15/348147815.db2.gz GBGPJCYZBSBFQN-UHFFFAOYSA-N 1 0 220.320 2.138 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CO1 ZINC000594953601 348148426 /nfs/dbraw/zinc/14/84/26/348148426.db2.gz IOWKVXOUPAKEOY-ZDEQEGDKSA-N 1 0 222.332 2.226 20 30 BEEDRO N#Cc1ccc(CC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000594955718 348148922 /nfs/dbraw/zinc/14/89/22/348148922.db2.gz SQXFIBYEYKUTGD-AWEZNQCLSA-N 1 0 246.379 2.443 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](CO)C2CCC2)ccc1C#N ZINC000594957880 348149844 /nfs/dbraw/zinc/14/98/44/348149844.db2.gz WFVQBAORCFBAHQ-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO N#Cc1ccc(CC[NH2+]CC2(F)CC2)cc1 ZINC000594956630 348149898 /nfs/dbraw/zinc/14/98/98/348149898.db2.gz XHOMAWRZRGKKHK-UHFFFAOYSA-N 1 0 218.275 2.192 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cnn(CC)c1 ZINC000594960216 348150800 /nfs/dbraw/zinc/15/08/00/348150800.db2.gz NHKQONIMXIJHJG-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1cnn2c1CCC2 ZINC000594961231 348151598 /nfs/dbraw/zinc/15/15/98/348151598.db2.gz ZKLHYQLPTVIRFB-UHFFFAOYSA-N 1 0 246.358 2.249 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cncn1CC ZINC000594966328 348160719 /nfs/dbraw/zinc/16/07/19/348160719.db2.gz GKDBSLHTUAWYBS-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1(CO)CC1 ZINC000594968333 348161087 /nfs/dbraw/zinc/16/10/87/348161087.db2.gz FVHNBTVLMAJESK-PNESKVBLSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCSCC[NH2+]Cc1nc(C)c(C)[nH]1 ZINC000594969742 348162027 /nfs/dbraw/zinc/16/20/27/348162027.db2.gz ZYCNUPFZDSPISK-UHFFFAOYSA-N 1 0 239.388 2.425 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000594970196 348162073 /nfs/dbraw/zinc/16/20/73/348162073.db2.gz VDXVIWRPSWMYTE-HAQNSBGRSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cc(C#N)cs1 ZINC000594975484 348162776 /nfs/dbraw/zinc/16/27/76/348162776.db2.gz VWANKFDHYVOWNF-UHFFFAOYSA-N 1 0 236.340 2.302 20 30 BEEDRO N#CC1(C[NH2+]CC2=CCCOC2)CCCCC1 ZINC000594980784 348164005 /nfs/dbraw/zinc/16/40/05/348164005.db2.gz AGAGXJFASLUTRQ-UHFFFAOYSA-N 1 0 234.343 2.397 20 30 BEEDRO C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000594981655 348164075 /nfs/dbraw/zinc/16/40/75/348164075.db2.gz SMZBTHQDSWPDEH-CHWSQXEVSA-N 1 0 235.375 2.000 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000594986309 348165571 /nfs/dbraw/zinc/16/55/71/348165571.db2.gz DELOKMQDALBGPZ-YIFLHPOLSA-N 1 0 248.370 2.352 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000594984536 348165689 /nfs/dbraw/zinc/16/56/89/348165689.db2.gz IZKFUCJZISVDKB-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCn3nccc32)C1 ZINC000595043679 348178943 /nfs/dbraw/zinc/17/89/43/348178943.db2.gz YGGJTUNGLYHICP-RWMBFGLXSA-N 1 0 244.342 2.390 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)o1)C1CCCC1 ZINC000594993048 348167778 /nfs/dbraw/zinc/16/77/78/348167778.db2.gz CYFPZIPFMGRLLB-AWEZNQCLSA-N 1 0 248.326 2.446 20 30 BEEDRO CC1(C)C[C@@]1(C)[NH2+]Cc1nc(C#N)cs1 ZINC000594994764 348167925 /nfs/dbraw/zinc/16/79/25/348167925.db2.gz GFMOSFTTWUDINY-LLVKDONJSA-N 1 0 221.329 2.293 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000594996970 348168469 /nfs/dbraw/zinc/16/84/69/348168469.db2.gz WLCBTDISPWUXAQ-CQSZACIVSA-N 1 0 244.338 2.463 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)CSCCF ZINC000595021939 348172092 /nfs/dbraw/zinc/17/20/92/348172092.db2.gz HRVDMEMCUSJSGF-LLVKDONJSA-N 1 0 235.368 2.260 20 30 BEEDRO CC(C)(C)N1CC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595047914 348179843 /nfs/dbraw/zinc/17/98/43/348179843.db2.gz HTOLRLQOGXNGJS-JHJVBQTASA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H]1C[NH+](CCc2ccc(C#N)cc2)C[C@@H](C)O1 ZINC000595288425 348213164 /nfs/dbraw/zinc/21/31/64/348213164.db2.gz IGEMVRKUUAIRJK-CHWSQXEVSA-N 1 0 244.338 2.210 20 30 BEEDRO CC[N@H+](CCOC)CCc1ccc(C#N)cc1 ZINC000595295328 348216297 /nfs/dbraw/zinc/21/62/97/348216297.db2.gz IUBUJXTUDHRVOC-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](OC)C1CCC1 ZINC000595302387 348219482 /nfs/dbraw/zinc/21/94/82/348219482.db2.gz GTLVDGNRKINGHV-DGCLKSJQSA-N 1 0 224.348 2.283 20 30 BEEDRO C#CC[N@H+](C)CCCCC(=O)OC(C)(C)C ZINC000192239614 323178755 /nfs/dbraw/zinc/17/87/55/323178755.db2.gz WGBLEFDFZUDLBD-UHFFFAOYSA-N 1 0 225.332 2.063 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)c1ccccn1 ZINC000595049761 348180694 /nfs/dbraw/zinc/18/06/94/348180694.db2.gz OIWZXRYXZKXKCY-UPJWGTAASA-N 1 0 229.327 2.467 20 30 BEEDRO C[C@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000595057896 348182987 /nfs/dbraw/zinc/18/29/87/348182987.db2.gz YHNUJYZMPXJWTG-WFASDCNBSA-N 1 0 244.338 2.115 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000595058664 348183829 /nfs/dbraw/zinc/18/38/29/348183829.db2.gz IJUGWHAHKAKJSC-RYUDHWBXSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000595014062 348186180 /nfs/dbraw/zinc/18/61/80/348186180.db2.gz LVDSXGIJZMIJPK-NSHDSACASA-N 1 0 227.373 2.207 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]C/C=C\CO ZINC000595066133 348187543 /nfs/dbraw/zinc/18/75/43/348187543.db2.gz CLSWPRMHMBAPSV-DJYNDVHFSA-N 1 0 242.322 2.074 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000595090526 348190888 /nfs/dbraw/zinc/19/08/88/348190888.db2.gz HDVMYRDECHHVGJ-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](Cn1cccn1)[NH2+]CC1(C#N)CCCCC1 ZINC000595091990 348192000 /nfs/dbraw/zinc/19/20/00/348192000.db2.gz UHGBSTJGXWWENE-CYBMUJFWSA-N 1 0 246.358 2.335 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000595094026 348192722 /nfs/dbraw/zinc/19/27/22/348192722.db2.gz SBCHXWHCQYBYDS-RYUDHWBXSA-N 1 0 218.300 2.494 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092087 348192755 /nfs/dbraw/zinc/19/27/55/348192755.db2.gz WEYJXQAIOAOHLE-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[N@@H+]1CCN([C@@H](C#N)c2ccccc2)C[C@H]1C ZINC000595389996 348242793 /nfs/dbraw/zinc/24/27/93/348242793.db2.gz RWUMIOVNQPSJOQ-HIFRSBDPSA-N 1 0 243.354 2.277 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595454115 348254049 /nfs/dbraw/zinc/25/40/49/348254049.db2.gz JARZPHGCPJQJJU-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO CC(C)COCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189579411 187391379 /nfs/dbraw/zinc/39/13/79/187391379.db2.gz CVMDPTRWLXSQLF-UHFFFAOYSA-N 1 0 249.358 2.049 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1ccc(C#N)cc1 ZINC000595462756 348256800 /nfs/dbraw/zinc/25/68/00/348256800.db2.gz WAJDFNIKOCOUSL-UHFFFAOYSA-N 1 0 244.338 2.235 20 30 BEEDRO CC[C@]1([NH2+]CCc2ccc(C#N)cc2)CCOC1 ZINC000595463068 348256885 /nfs/dbraw/zinc/25/68/85/348256885.db2.gz YXFPFYNOGUNKLU-HNNXBMFYSA-N 1 0 244.338 2.259 20 30 BEEDRO C[C@@H](CC#N)N(C)CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000595343256 348233990 /nfs/dbraw/zinc/23/39/90/348233990.db2.gz GUNASJRCWNGHQP-MCIONIFRSA-N 1 0 237.391 2.198 20 30 BEEDRO CO[C@@H](CN(C)[C@@H](C)CC#N)C1CCC1 ZINC000595342918 348234181 /nfs/dbraw/zinc/23/41/81/348234181.db2.gz CITJDQWQUDMNEH-JQWIXIFHSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000192534060 323179585 /nfs/dbraw/zinc/17/95/85/323179585.db2.gz WOTYICONMVJGHL-NSHDSACASA-N 1 0 235.331 2.450 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595504298 348264332 /nfs/dbraw/zinc/26/43/32/348264332.db2.gz BGKJERHBNPBRRJ-UHFFFAOYSA-N 1 0 212.296 2.056 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](OC)C1CCCC1 ZINC000595528269 348271999 /nfs/dbraw/zinc/27/19/99/348271999.db2.gz BKRLHIDVORBOSQ-STQMWFEESA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](OC)C1CCC1 ZINC000595530862 348273194 /nfs/dbraw/zinc/27/31/94/348273194.db2.gz VFRFEEQYRVIYRH-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO CC#CCCN(CC)[C@H](C)C(=O)OC(C)(C)C ZINC000595604654 348286861 /nfs/dbraw/zinc/28/68/61/348286861.db2.gz GCJABTNWVHSSDP-GFCCVEGCSA-N 1 0 239.359 2.452 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1 ZINC000595613899 348287877 /nfs/dbraw/zinc/28/78/77/348287877.db2.gz BOAMEEZUNDRMIP-OAHLLOKOSA-N 1 0 244.338 2.003 20 30 BEEDRO N#CCSCCC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595615033 348288362 /nfs/dbraw/zinc/28/83/62/348288362.db2.gz OJDOHDYWMFNTJW-GFCCVEGCSA-N 1 0 237.372 2.259 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)OCC)C1 ZINC000595661288 348300565 /nfs/dbraw/zinc/30/05/65/348300565.db2.gz YAFSPYHOWMPXQH-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO CC(C)([NH2+]CCCCO)c1cccc(C#N)c1 ZINC000595635841 348302934 /nfs/dbraw/zinc/30/29/34/348302934.db2.gz MLNIJWXUMGPVIW-UHFFFAOYSA-N 1 0 232.327 2.155 20 30 BEEDRO C=CC[N@@H+](CCC(C)(C)C#N)[C@@H](C)COC ZINC000595638840 348303533 /nfs/dbraw/zinc/30/35/33/348303533.db2.gz MHNVWHJEVBKQRA-LBPRGKRZSA-N 1 0 224.348 2.449 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCCCC#N)[C@@H]1CCO ZINC000595696437 348306445 /nfs/dbraw/zinc/30/64/45/348306445.db2.gz LBQUZKJZTPTHPT-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000595678169 348311370 /nfs/dbraw/zinc/31/13/70/348311370.db2.gz RDSUETPNBAZBHK-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](C#N)N(CC[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000595710390 348322115 /nfs/dbraw/zinc/32/21/15/348322115.db2.gz ONAHQWLFVJRPNZ-MCIONIFRSA-N 1 0 249.402 2.341 20 30 BEEDRO C[C@H]1C[NH+](Cc2cccc(C#N)c2)C[C@H](C)C1O ZINC000595732868 348318006 /nfs/dbraw/zinc/31/80/06/348318006.db2.gz PMLYDZFSPBMPHK-RYUDHWBXSA-N 1 0 244.338 2.007 20 30 BEEDRO C[C@@H]1C[NH+](Cc2cccc(C#N)c2)C[C@@H](C)C1O ZINC000595732870 348318182 /nfs/dbraw/zinc/31/81/82/348318182.db2.gz PMLYDZFSPBMPHK-VXGBXAGGSA-N 1 0 244.338 2.007 20 30 BEEDRO CC[NH+](CC)CCCN([C@@H](C)C#N)C1CC1 ZINC000595710772 348322950 /nfs/dbraw/zinc/32/29/50/348322950.db2.gz VESYQCYGONHJGX-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@]12COC[C@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000595755165 348329693 /nfs/dbraw/zinc/32/96/93/348329693.db2.gz HKVUXAXMGZCGQF-HUUCEWRRSA-N 1 0 242.322 2.027 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595812632 348351647 /nfs/dbraw/zinc/35/16/47/348351647.db2.gz YBZLHZNZGYMZJG-JSGCOSHPSA-N 1 0 242.322 2.409 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000595760645 348332654 /nfs/dbraw/zinc/33/26/54/348332654.db2.gz VFDWQLRRXCFGOO-OCCSQVGLSA-N 1 0 236.359 2.285 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)s1 ZINC000348235793 187394401 /nfs/dbraw/zinc/39/44/01/187394401.db2.gz XIVGPRVCMJOLQI-IUCAKERBSA-N 1 0 228.267 2.363 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)C[C@]1(C)CO ZINC000595877450 348387872 /nfs/dbraw/zinc/38/78/72/348387872.db2.gz UBLCAUOEYLKBCT-SWLSCSKDSA-N 1 0 244.338 2.009 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000623483907 362907411 /nfs/dbraw/zinc/90/74/11/362907411.db2.gz WVYAAKLXZYJQKI-RFHZTLPTSA-N 1 0 223.360 2.195 20 30 BEEDRO CC(C)CC[C@@H](O)C[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843017 348380005 /nfs/dbraw/zinc/38/00/05/348380005.db2.gz XNDBJRWDWZYTJF-CHWSQXEVSA-N 1 0 224.348 2.019 20 30 BEEDRO Cc1nccn1CCCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595843502 348381182 /nfs/dbraw/zinc/38/11/82/348381182.db2.gz KRBKYDWOKZXMAE-CQSZACIVSA-N 1 0 246.358 2.207 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)CC1(C)COC1 ZINC000595885276 348388617 /nfs/dbraw/zinc/38/86/17/348388617.db2.gz LPWVSICWPMHOSC-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@@]1(C)CO ZINC000595875493 348387038 /nfs/dbraw/zinc/38/70/38/348387038.db2.gz QAPPVZJSLJKGHF-WFASDCNBSA-N 1 0 244.338 2.009 20 30 BEEDRO CCN(CCC1(OC)CCC1)[C@@H](C)C#N ZINC000595820126 348360783 /nfs/dbraw/zinc/36/07/83/348360783.db2.gz JYOZWNQBCAKLOB-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)s1 ZINC000595827832 348364358 /nfs/dbraw/zinc/36/43/58/348364358.db2.gz SHMSYXHJPOFXAZ-WDEREUQCSA-N 1 0 248.351 2.088 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)cc1 ZINC000595829812 348364865 /nfs/dbraw/zinc/36/48/65/348364865.db2.gz IHMCHXLHBNYKFE-HUUCEWRRSA-N 1 0 242.322 2.027 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1 ZINC000595829811 348365188 /nfs/dbraw/zinc/36/51/88/348365188.db2.gz IHMCHXLHBNYKFE-GJZGRUSLSA-N 1 0 242.322 2.027 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595832834 348366325 /nfs/dbraw/zinc/36/63/25/348366325.db2.gz QSMDPIFQNSCSJG-GJZGRUSLSA-N 1 0 242.322 2.027 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595832835 348366347 /nfs/dbraw/zinc/36/63/47/348366347.db2.gz QSMDPIFQNSCSJG-HUUCEWRRSA-N 1 0 242.322 2.027 20 30 BEEDRO C[N@H+](CCCCC#N)CC1=CCSC1 ZINC000595887567 348389260 /nfs/dbraw/zinc/38/92/60/348389260.db2.gz GBVHPFFEPMXLNT-UHFFFAOYSA-N 1 0 210.346 2.285 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)C[C@](C)(C(F)F)O1 ZINC000595913166 348399835 /nfs/dbraw/zinc/39/98/35/348399835.db2.gz CIEFEXYTMZZIQG-ZYHUDNBSSA-N 1 0 246.301 2.425 20 30 BEEDRO CO[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1CCCC1 ZINC000596049401 348428476 /nfs/dbraw/zinc/42/84/76/348428476.db2.gz ZSMGFMISXLXSIC-TZMCWYRMSA-N 1 0 249.358 2.225 20 30 BEEDRO CO[C@H](C[NH2+]C[C@H](C#N)CCC#N)C1CCCC1 ZINC000596049398 348428854 /nfs/dbraw/zinc/42/88/54/348428854.db2.gz ZSMGFMISXLXSIC-GXTWGEPZSA-N 1 0 249.358 2.225 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CC1=CCCC1 ZINC000596045479 348428982 /nfs/dbraw/zinc/42/89/82/348428982.db2.gz CGQKZLVGRPBLHB-LBPRGKRZSA-N 1 0 203.289 2.130 20 30 BEEDRO COCCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000419387237 192130354 /nfs/dbraw/zinc/13/03/54/192130354.db2.gz NDARZJURLSLJRC-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CCn1nccc1C[NH2+]Cc1cc(C#N)cs1 ZINC000596062342 348436122 /nfs/dbraw/zinc/43/61/22/348436122.db2.gz PDKLPMBTJABJDK-UHFFFAOYSA-N 1 0 246.339 2.126 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cc(C#N)ccn1 ZINC000596306486 348492287 /nfs/dbraw/zinc/49/22/87/348492287.db2.gz DZXGHTPZVHMRLI-GFCCVEGCSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cc(C#N)ccn1 ZINC000596306487 348492298 /nfs/dbraw/zinc/49/22/98/348492298.db2.gz DZXGHTPZVHMRLI-LBPRGKRZSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc(C#N)nc1 ZINC000596307669 348492757 /nfs/dbraw/zinc/49/27/57/348492757.db2.gz NUCNYDBLZONJTR-ZDUSSCGKSA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc(C#N)nc1 ZINC000596307668 348492861 /nfs/dbraw/zinc/49/28/61/348492861.db2.gz NUCNYDBLZONJTR-CYBMUJFWSA-N 1 0 244.342 2.238 20 30 BEEDRO Cc1cc(NCC[C@H](C)[NH+](C)C)cc(C#N)n1 ZINC000596430203 348544976 /nfs/dbraw/zinc/54/49/76/348544976.db2.gz JYQPPQFVCXQSOK-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(F)c(C#N)c1 ZINC000268224648 187398538 /nfs/dbraw/zinc/39/85/38/187398538.db2.gz MZTBXHQIGMGRNR-UHFFFAOYSA-N 1 0 216.259 2.152 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](COCC)C1 ZINC000305043430 166303700 /nfs/dbraw/zinc/30/37/00/166303700.db2.gz AFNRCXDPNNBZAU-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cccc(N)c2)C1 ZINC000596650052 348605048 /nfs/dbraw/zinc/60/50/48/348605048.db2.gz HXUVJXAUYJAXBH-SMDDNHRTSA-N 1 0 229.327 2.441 20 30 BEEDRO C=CCCSCCN[C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000596649907 348605263 /nfs/dbraw/zinc/60/52/63/348605263.db2.gz HJBSMNVHQKTWIQ-OLZOCXBDSA-N 1 0 242.432 2.416 20 30 BEEDRO C[NH2+]C[C@@H](C)N[C@@H]1CCCc2cc(C#N)ccc21 ZINC000596654387 348607764 /nfs/dbraw/zinc/60/77/64/348607764.db2.gz NRZWMFUIDMMFBM-IAQYHMDHSA-N 1 0 243.354 2.133 20 30 BEEDRO CC[C@H](N[C@H](C)C[NH2+]C)c1ccc(C#N)cc1 ZINC000596654777 348607987 /nfs/dbraw/zinc/60/79/87/348607987.db2.gz NILCZTWPGMWEFY-RISCZKNCSA-N 1 0 231.343 2.207 20 30 BEEDRO C#CCC[N@H+]1CCc2c(F)cccc2C1 ZINC000270532224 187399255 /nfs/dbraw/zinc/39/92/55/187399255.db2.gz OYDRIXCOBCKLNP-UHFFFAOYSA-N 1 0 203.260 2.207 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000597064759 348654713 /nfs/dbraw/zinc/65/47/13/348654713.db2.gz WQXIHZBMVPMDPI-SECBINFHSA-N 1 0 223.272 2.039 20 30 BEEDRO Cc1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC000597191865 348670994 /nfs/dbraw/zinc/67/09/94/348670994.db2.gz INLNOMASAQDJEE-UHFFFAOYSA-N 1 0 200.285 2.341 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCSCC1 ZINC000597083831 348655135 /nfs/dbraw/zinc/65/51/35/348655135.db2.gz UWMSKAUSHDSDHE-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000597084318 348655544 /nfs/dbraw/zinc/65/55/44/348655544.db2.gz XYDPHAGANFJGTB-QWRGUYRKSA-N 1 0 240.347 2.104 20 30 BEEDRO CCCn1nccc1CN1CCC(C)(C#N)CC1 ZINC000597085564 348655986 /nfs/dbraw/zinc/65/59/86/348655986.db2.gz WFZSIABUCIRVKM-UHFFFAOYSA-N 1 0 246.358 2.419 20 30 BEEDRO N#CC1CCC(C[NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000597133284 348660470 /nfs/dbraw/zinc/66/04/70/348660470.db2.gz XHBVZIZYPPCPHV-VHMBPLKRSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000271645136 166304537 /nfs/dbraw/zinc/30/45/37/166304537.db2.gz DFBVDYWSUVOEMX-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000597116176 348663156 /nfs/dbraw/zinc/66/31/56/348663156.db2.gz DWQKRBRUEOCESH-WOPDTQHZSA-N 1 0 204.317 2.458 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000597151636 348665333 /nfs/dbraw/zinc/66/53/33/348665333.db2.gz QRDHXNJBSFZKAW-VXGBXAGGSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CO1 ZINC000597156851 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2.069 20 30 BEEDRO COC1([C@@H](C)[NH2+]CCCC#N)CCCC1 ZINC000421843681 192393822 /nfs/dbraw/zinc/39/38/22/192393822.db2.gz RFIXBVNILMZKBN-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)CC1(C)COC1 ZINC000599571308 349223625 /nfs/dbraw/zinc/22/36/25/349223625.db2.gz BPVPASFCGULATL-UHFFFAOYSA-N 1 0 244.338 2.335 20 30 BEEDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCOCCC#N ZINC000599628891 349232128 /nfs/dbraw/zinc/23/21/28/349232128.db2.gz VHEQJGQQBMQIAZ-JTQLQIEISA-N 1 0 232.274 2.036 20 30 BEEDRO CCO[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000599469926 349194323 /nfs/dbraw/zinc/19/43/23/349194323.db2.gz MUWREDCHIMJNCC-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCSC2)C1 ZINC000307135131 349204175 /nfs/dbraw/zinc/20/41/75/349204175.db2.gz PYEPOQZIHYKQGE-VWYCJHECSA-N 1 0 210.346 2.021 20 30 BEEDRO COCCC[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599686142 349244518 /nfs/dbraw/zinc/24/45/18/349244518.db2.gz NDLGVESWGDJSHK-UHFFFAOYSA-N 1 0 244.338 2.147 20 30 BEEDRO COc1ccc([C@H]([NH2+]CCCC#N)C2CC2)cn1 ZINC000599702592 349249544 /nfs/dbraw/zinc/24/95/44/349249544.db2.gz XCNIGRRHRWAVRL-CQSZACIVSA-N 1 0 245.326 2.435 20 30 BEEDRO CCC[C@@]1([NH2+]CC2(CC#N)CC2)CCOC1 ZINC000382208033 349269306 /nfs/dbraw/zinc/26/93/06/349269306.db2.gz GKDYGRNEDCYJOB-CYBMUJFWSA-N 1 0 222.332 2.229 20 30 BEEDRO CCC[C@]1([NH2+]CC2(CC#N)CC2)CCOC1 ZINC000382208034 349269311 /nfs/dbraw/zinc/26/93/11/349269311.db2.gz GKDYGRNEDCYJOB-ZDUSSCGKSA-N 1 0 222.332 2.229 20 30 BEEDRO N#CC1(C[C@H](O)C[NH+]2CC(C3CCCC3)C2)CC1 ZINC000601957940 349399874 /nfs/dbraw/zinc/39/98/74/349399874.db2.gz KKCGBODTWYANIM-AWEZNQCLSA-N 1 0 248.370 2.163 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH+]2CC(C3CCCC3)C2)CC1 ZINC000601957943 349400024 /nfs/dbraw/zinc/40/00/24/349400024.db2.gz KKCGBODTWYANIM-CQSZACIVSA-N 1 0 248.370 2.163 20 30 BEEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000601963021 349403136 /nfs/dbraw/zinc/40/31/36/349403136.db2.gz IRVZKMTVMGUCNA-TUAOUCFPSA-N 1 0 222.332 2.226 20 30 BEEDRO N#CCC[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000601969135 349406226 /nfs/dbraw/zinc/40/62/26/349406226.db2.gz OXZVQWCSAHIRSA-GFCCVEGCSA-N 1 0 222.332 2.229 20 30 BEEDRO N#CCCCC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000601977730 349413427 /nfs/dbraw/zinc/41/34/27/349413427.db2.gz VZULEXUBJZMWKJ-SNVBAGLBSA-N 1 0 232.274 2.036 20 30 BEEDRO CSCC[NH2+]Cc1cccc(F)c1C#N ZINC000601994721 349414913 /nfs/dbraw/zinc/41/49/13/349414913.db2.gz BIELOTGDYDLJJM-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(F)c1C#N ZINC000602022639 349418827 /nfs/dbraw/zinc/41/88/27/349418827.db2.gz DKBDNIXACIVCFX-GFCCVEGCSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1sc(C)nc1C ZINC000131391991 191012474 /nfs/dbraw/zinc/01/24/74/191012474.db2.gz UHLZQPWABIZOOM-UHFFFAOYSA-N 1 0 240.372 2.442 20 30 BEEDRO C=C(C)COCC[NH2+]CC(C)(C)CCC#N ZINC000131378538 191013286 /nfs/dbraw/zinc/01/32/86/191013286.db2.gz PLPXPQMKJLNKCS-UHFFFAOYSA-N 1 0 224.348 2.499 20 30 BEEDRO C=C[C@H](N[C@H]1CC[C@H](CC)CC1)C(=O)OC ZINC000390778390 350081503 /nfs/dbraw/zinc/08/15/03/350081503.db2.gz HGCYYBZCGWLZQF-SRVKXCTJSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](C)CC(=O)NC ZINC000132009205 191021406 /nfs/dbraw/zinc/02/14/06/191021406.db2.gz HFAZHXAIBBMTMY-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO CC[C@@H]1C[N@H+](CC2(CC#N)CC2)CCCO1 ZINC000304187831 350148343 /nfs/dbraw/zinc/14/83/43/350148343.db2.gz ZVNZOVCAKITKGN-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CCO1 ZINC000219917621 350148940 /nfs/dbraw/zinc/14/89/40/350148940.db2.gz QSBRSYARFFNHDT-KOLCDFICSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)[C@H](C#N)N1CC[NH+]([C@H]2C=CCCC2)CC1 ZINC000609487239 350175296 /nfs/dbraw/zinc/17/52/96/350175296.db2.gz YVJMSKFOZHUDBS-GJZGRUSLSA-N 1 0 247.386 2.261 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2c[nH]nc21 ZINC000154768093 191078213 /nfs/dbraw/zinc/07/82/13/191078213.db2.gz JHIZOZQNOFKLAF-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO COCCCN(C)Cc1cccc(F)c1C#N ZINC000428470191 191078323 /nfs/dbraw/zinc/07/83/23/191078323.db2.gz NAIKCXYXOIXWCU-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C(=O)NCC)C(C)C ZINC000354062429 350277782 /nfs/dbraw/zinc/27/77/82/350277782.db2.gz AAVSZONHUSSOMS-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C[N@@H+]1CCN(CCCC#N)[C@@H](c2ccccc2)C1 ZINC000019425308 350289051 /nfs/dbraw/zinc/28/90/51/350289051.db2.gz MXBOCTQTTUERFE-OAHLLOKOSA-N 1 0 243.354 2.279 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCC12CC2 ZINC000514616214 323326761 /nfs/dbraw/zinc/32/67/61/323326761.db2.gz MSMSBQANQRWMJC-NEPJUHHUSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)CCO2 ZINC000154770050 166324290 /nfs/dbraw/zinc/32/42/90/166324290.db2.gz LGLILTPIMRJOBC-UHFFFAOYSA-N 1 0 203.285 2.239 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427868896 191097170 /nfs/dbraw/zinc/09/71/70/191097170.db2.gz BKEOWDZDWZKMLZ-RWMBFGLXSA-N 1 0 233.359 2.388 20 30 BEEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)(C)O ZINC000309371328 535126652 /nfs/dbraw/zinc/12/66/52/535126652.db2.gz QMCWMBNEZZFXMQ-WOPDTQHZSA-N 1 0 224.348 2.064 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C[C@@H](O)C(C)(C)C)C1CC1 ZINC000336669790 350434010 /nfs/dbraw/zinc/43/40/10/350434010.db2.gz WRDCVPLSROHFRA-CMPLNLGQSA-N 1 0 224.348 2.017 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCCSCC#N)C1CC1 ZINC000336677298 350438041 /nfs/dbraw/zinc/43/80/41/350438041.db2.gz NPOOFCBMJQGHNR-NSHDSACASA-N 1 0 237.372 2.257 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000162698917 350416807 /nfs/dbraw/zinc/41/68/07/350416807.db2.gz MPTPHBWCKDPTLS-QMMMGPOBSA-N 1 0 223.272 2.039 20 30 BEEDRO C[C@H](O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000336649295 350418100 /nfs/dbraw/zinc/41/81/00/350418100.db2.gz QTNWZBFYFWBBCV-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@]1(C)COCC[N@@H+]1CCC(C)(C)C#N ZINC000336683893 350438995 /nfs/dbraw/zinc/43/89/95/350438995.db2.gz TWVCJWTYNWDZBV-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO CSCCC[N@H+](C)CCCSCC#N ZINC000336695679 350449129 /nfs/dbraw/zinc/44/91/29/350449129.db2.gz SVWVFIRKYVNPFR-UHFFFAOYSA-N 1 0 232.418 2.318 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCCOC1)C1CC1 ZINC000336698195 350452915 /nfs/dbraw/zinc/45/29/15/350452915.db2.gz IGBCPFJRTAZVST-VXGBXAGGSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000393966709 350470029 /nfs/dbraw/zinc/47/00/29/350470029.db2.gz MKJWCXRUBIMUKW-TUAOUCFPSA-N 1 0 210.321 2.226 20 30 BEEDRO CC1(C#N)CC[NH+](Cc2ccncc2)CC1 ZINC000227350967 350492700 /nfs/dbraw/zinc/49/27/00/350492700.db2.gz KDSVYGYGUCEQLW-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000163039476 350496637 /nfs/dbraw/zinc/49/66/37/350496637.db2.gz IIPFEXUQOURLLC-NSHDSACASA-N 1 0 228.299 2.104 20 30 BEEDRO N#CC1(C[N@H+]2CCC[C@H](CCC(N)=O)C2)CC1 ZINC000331364551 350496704 /nfs/dbraw/zinc/49/67/04/350496704.db2.gz BMMZXVCKNKXCLO-LLVKDONJSA-N 1 0 235.331 2.318 20 30 BEEDRO C=CCCCN1C[C@@H]([NH3+])Cc2ccccc21 ZINC000070593400 350544748 /nfs/dbraw/zinc/54/47/48/350544748.db2.gz BASRXMSXTAZEIB-ZDUSSCGKSA-N 1 0 216.328 2.343 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H]2C2CCC2)C1=O ZINC000337121768 350557993 /nfs/dbraw/zinc/55/79/93/350557993.db2.gz ATZWMNGRMQBEMR-ZIAGYGMSSA-N 1 0 248.370 2.038 20 30 BEEDRO C[N@H+](CCCC1(C#N)CCOCC1)CC1CC1 ZINC000337130353 350558869 /nfs/dbraw/zinc/55/88/69/350558869.db2.gz JBDZUCXGNFITMC-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H](CO)C2CCCCC2)o1 ZINC000386329424 362968644 /nfs/dbraw/zinc/96/86/44/362968644.db2.gz ZVURQHOCWFVEAC-AWEZNQCLSA-N 1 0 248.326 2.182 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C ZINC000320219870 350600151 /nfs/dbraw/zinc/60/01/51/350600151.db2.gz GUGLXXLSVIBDMQ-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[N@H+]1CCc2ccc(O)cc2CC1 ZINC000606897816 350622513 /nfs/dbraw/zinc/62/25/13/350622513.db2.gz DRCFVBHHQBUXKI-UHFFFAOYSA-N 1 0 217.312 2.369 20 30 BEEDRO C=CCN(CC=C)C(=O)CCCCCC[NH3+] ZINC000019513229 166328247 /nfs/dbraw/zinc/32/82/47/166328247.db2.gz XJGSWUXTCAZFSU-UHFFFAOYSA-N 1 0 224.348 2.096 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1C(=O)OCC ZINC000096687049 350682934 /nfs/dbraw/zinc/68/29/34/350682934.db2.gz LZABFZDVONPBIB-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCc1ccnn1C ZINC000338538429 350692505 /nfs/dbraw/zinc/69/25/05/350692505.db2.gz ANMVGUXDQGNHRD-LBPRGKRZSA-N 1 0 219.332 2.003 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340869 350764403 /nfs/dbraw/zinc/76/44/03/350764403.db2.gz HOMWFUJDKBZCNK-LLVKDONJSA-N 1 0 238.375 2.188 20 30 BEEDRO COc1ccc(OC)c(C[NH2+]CCCCC#N)c1 ZINC000237228373 350748749 /nfs/dbraw/zinc/74/87/49/350748749.db2.gz OIFNICFHDHDNMM-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO COCC(C)(C)C[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000617314400 350723440 /nfs/dbraw/zinc/72/34/40/350723440.db2.gz WQUOKOKIAHBFRZ-CYBMUJFWSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164543429 191120684 /nfs/dbraw/zinc/12/06/84/191120684.db2.gz HGMFLRISUCDPCU-BXUZGUMPSA-N 1 0 232.327 2.226 20 30 BEEDRO CC#CCC[NH2+]Cc1c(F)cccc1F ZINC000125469711 350736014 /nfs/dbraw/zinc/73/60/14/350736014.db2.gz BKPZELTVXALPKZ-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000429843389 350818063 /nfs/dbraw/zinc/81/80/63/350818063.db2.gz VSPHUSOBTGTXRY-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000336653664 191124000 /nfs/dbraw/zinc/12/40/00/191124000.db2.gz GFTKKEIQTPWJHQ-YNEHKIRRSA-N 1 0 243.416 2.291 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000282961945 350864229 /nfs/dbraw/zinc/86/42/29/350864229.db2.gz ZTESRTUSHVJJAC-NSHDSACASA-N 1 0 207.321 2.345 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000273189038 166331889 /nfs/dbraw/zinc/33/18/89/166331889.db2.gz GODRBFAMAGQFQW-LBPRGKRZSA-N 1 0 238.375 2.354 20 30 BEEDRO C=CCCCNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000336682963 350910231 /nfs/dbraw/zinc/91/02/31/350910231.db2.gz DIGIRVYVZQTUDK-GFCCVEGCSA-N 1 0 226.364 2.236 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CC[C@H]2CCCO2)C1 ZINC000397581519 350930990 /nfs/dbraw/zinc/93/09/90/350930990.db2.gz FXSRWFUUPICKHE-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C#CCC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292357767 350933616 /nfs/dbraw/zinc/93/36/16/350933616.db2.gz HYTKJEAABVVVKG-GWCFXTLKSA-N 1 0 235.352 2.363 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)CCC(C)C ZINC000052245921 350971826 /nfs/dbraw/zinc/97/18/26/350971826.db2.gz DSOVSSIGDDOIRW-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO COCC[C@@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397603576 350956750 /nfs/dbraw/zinc/95/67/50/350956750.db2.gz MNBXADDPZMUWOP-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO COCC[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397603584 350957090 /nfs/dbraw/zinc/95/70/90/350957090.db2.gz MNBXADDPZMUWOP-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)OCCC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000382807526 351054369 /nfs/dbraw/zinc/05/43/69/351054369.db2.gz ZIVDPBNICFPEAA-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)OCCC[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000382807523 351054466 /nfs/dbraw/zinc/05/44/66/351054466.db2.gz ZIVDPBNICFPEAA-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1C ZINC000070740424 351064153 /nfs/dbraw/zinc/06/41/53/351064153.db2.gz CFLIFQORBYMEHQ-CYBMUJFWSA-N 1 0 246.354 2.118 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000289940942 351012129 /nfs/dbraw/zinc/01/21/29/351012129.db2.gz UHSPQKGICPGJBU-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO C=CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000111257604 191130172 /nfs/dbraw/zinc/13/01/72/191130172.db2.gz IRYVRWRLDRHQPE-INIZCTEOSA-N 1 0 245.366 2.488 20 30 BEEDRO Cc1cccc(OCCN(C)C[C@@H](C)C#N)c1 ZINC000070869806 351074413 /nfs/dbraw/zinc/07/44/13/351074413.db2.gz KFZQWGZDHOQENN-ZDUSSCGKSA-N 1 0 232.327 2.465 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cn1cccn1 ZINC000336721611 351151063 /nfs/dbraw/zinc/15/10/63/351151063.db2.gz DVBUZWPRKRHMEC-NEPJUHHUSA-N 1 0 207.321 2.216 20 30 BEEDRO N#Cc1csc(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000086500177 351166059 /nfs/dbraw/zinc/16/60/59/351166059.db2.gz IERCGHYEKVQLBT-LLVKDONJSA-N 1 0 236.340 2.278 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)o1 ZINC000335621080 187476182 /nfs/dbraw/zinc/47/61/82/187476182.db2.gz WPAGCTYEHHGBHA-RKDXNWHRSA-N 1 0 208.236 2.131 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC000628352247 351315364 /nfs/dbraw/zinc/31/53/64/351315364.db2.gz BWHRSWVKJBJJAC-FRRDWIJNSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)no1 ZINC000631125999 351336939 /nfs/dbraw/zinc/33/69/39/351336939.db2.gz KIBDHYLKDZBMAV-DGCLKSJQSA-N 1 0 236.315 2.054 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)C(C)(C)C ZINC000336724781 351387230 /nfs/dbraw/zinc/38/72/30/351387230.db2.gz FSQJVXDKSZFNDY-MNOVXSKESA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cnc2cnccn12 ZINC000623592978 363028228 /nfs/dbraw/zinc/02/82/28/363028228.db2.gz MVGACBWWBWIRED-UHFFFAOYSA-N 1 0 244.342 2.421 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000231931646 351475395 /nfs/dbraw/zinc/47/53/95/351475395.db2.gz DTZFTABHZVHXFO-LLVKDONJSA-N 1 0 229.389 2.453 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)[C@@H](C)O ZINC000386826733 363048163 /nfs/dbraw/zinc/04/81/63/363048163.db2.gz HCENSNGTCLWPFN-WDMOLILDSA-N 1 0 232.327 2.368 20 30 BEEDRO COc1ccc(CN2CCC(C)(C#N)CC2)cn1 ZINC000272574170 351486780 /nfs/dbraw/zinc/48/67/80/351486780.db2.gz NKUMJEYOHFBYTD-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO N#Cc1ccc(OCC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000122598849 363059260 /nfs/dbraw/zinc/05/92/60/363059260.db2.gz GOVWTOYHFIBAPV-JTQLQIEISA-N 1 0 234.274 2.076 20 30 BEEDRO C[C@H]([NH2+]CCC(C)(C)C#N)c1cnn(C)c1 ZINC000273396941 351527734 /nfs/dbraw/zinc/52/77/34/351527734.db2.gz PYRKOALXXMEYGY-JTQLQIEISA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(n2ccnc2)CC1 ZINC000276284042 351615040 /nfs/dbraw/zinc/61/50/40/351615040.db2.gz GMQTXHLCHZYLTM-GFCCVEGCSA-N 1 0 232.331 2.212 20 30 BEEDRO N#CCC[NH2+]CCc1cccc(F)c1F ZINC000577742221 366049059 /nfs/dbraw/zinc/04/90/59/366049059.db2.gz FIKPHHCKUSIXCW-UHFFFAOYSA-N 1 0 210.227 2.011 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(=O)[nH]c1 ZINC000637838108 351692786 /nfs/dbraw/zinc/69/27/86/351692786.db2.gz RPEGYBAFRXYZBE-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C#CC[NH+](CC#C)CCCCC(C)(C)C#N ZINC000277882134 351732863 /nfs/dbraw/zinc/73/28/63/351732863.db2.gz ZHKIEFMWUGGLAH-UHFFFAOYSA-N 1 0 216.328 2.275 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCc3cn[nH]c32)C1 ZINC000278152372 351748263 /nfs/dbraw/zinc/74/82/63/351748263.db2.gz AFYNKBNQQARGSM-RTXFEEFZSA-N 1 0 244.342 2.459 20 30 BEEDRO CN(Cc1cscn1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278651270 351774937 /nfs/dbraw/zinc/77/49/37/351774937.db2.gz PVTCSNBMZBWRHG-MWLCHTKSSA-N 1 0 221.329 2.267 20 30 BEEDRO CO[C@@H](CNC(=[NH2+])Nc1ccccc1)C(C)C ZINC000072914209 351759991 /nfs/dbraw/zinc/75/99/91/351759991.db2.gz MXORVNAPBCZCPJ-LBPRGKRZSA-N 1 0 235.331 2.084 20 30 BEEDRO C[N@H+](CCc1ccncc1)[C@@H]1CC[C@H](C#N)C1 ZINC000278555023 351769780 /nfs/dbraw/zinc/76/97/80/351769780.db2.gz HUGXVRMVIOTCQQ-UONOGXRCSA-N 1 0 229.327 2.248 20 30 BEEDRO CN(Cc1cscn1)[C@H]1CC[C@H](C#N)C1 ZINC000278651274 351774648 /nfs/dbraw/zinc/77/46/48/351774648.db2.gz PVTCSNBMZBWRHG-ONGXEEELSA-N 1 0 221.329 2.267 20 30 BEEDRO Cn1cc(C[NH2+]C[C@@H]2CCCSC2)cc1C#N ZINC000288463054 180649673 /nfs/dbraw/zinc/64/96/73/180649673.db2.gz OGILEYDJQCKQLU-NSHDSACASA-N 1 0 249.383 2.130 20 30 BEEDRO CCCNC(=[NH2+])NCCCc1ccccc1F ZINC000280054723 351833299 /nfs/dbraw/zinc/83/32/99/351833299.db2.gz NVCGCKMBEFBZKJ-UHFFFAOYSA-N 1 0 237.322 2.073 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+]CC(C)(C)C#N)OC ZINC000405127889 351856565 /nfs/dbraw/zinc/85/65/65/351856565.db2.gz BSFOBCGWZJBGMG-MNOVXSKESA-N 1 0 212.337 2.187 20 30 BEEDRO CC1=CCC[N@H+](CCCSCC#N)C1 ZINC000280793557 351861123 /nfs/dbraw/zinc/86/11/23/351861123.db2.gz JSOFQVYADCVZKS-UHFFFAOYSA-N 1 0 210.346 2.285 20 30 BEEDRO C=CC1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000637992316 351869264 /nfs/dbraw/zinc/86/92/64/351869264.db2.gz CZPLFJCPFGIFOO-CYBMUJFWSA-N 1 0 238.375 2.175 20 30 BEEDRO C[C@@H](CO)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000282746748 351942732 /nfs/dbraw/zinc/94/27/32/351942732.db2.gz JSWDBBGAQUDEMT-LBPRGKRZSA-N 1 0 246.354 2.300 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638008727 351885977 /nfs/dbraw/zinc/88/59/77/351885977.db2.gz WIHRNDOGEFTNCM-ZDUSSCGKSA-N 1 0 236.359 2.239 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]([NH3+])CCC(C)C ZINC000638009980 351887078 /nfs/dbraw/zinc/88/70/78/351887078.db2.gz HYFNLQBSXJOSIO-GFCCVEGCSA-N 1 0 226.364 2.175 20 30 BEEDRO CC[C@H](CNC1=[NH+]CCN1C)c1ccccc1 ZINC000284904513 352009807 /nfs/dbraw/zinc/00/98/07/352009807.db2.gz AQRPHCIDDKVSSL-GFCCVEGCSA-N 1 0 231.343 2.071 20 30 BEEDRO CCCNC(=[NH2+])NCC1CC(c2ccccc2)C1 ZINC000283015172 351954543 /nfs/dbraw/zinc/95/45/43/351954543.db2.gz OHUNHENCYTURMW-UHFFFAOYSA-N 1 0 245.370 2.495 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1ccccn1 ZINC000083853790 351961444 /nfs/dbraw/zinc/96/14/44/351961444.db2.gz MZXZNDUKBKRPFH-NSHDSACASA-N 1 0 215.300 2.426 20 30 BEEDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000618068839 351994366 /nfs/dbraw/zinc/99/43/66/351994366.db2.gz ANBWMBVFXGJIMF-TZMCWYRMSA-N 1 0 249.402 2.389 20 30 BEEDRO C#CC[N@@H+](C[C@@H](OC)c1ccccc1)C1CC1 ZINC000284548305 351999926 /nfs/dbraw/zinc/99/99/26/351999926.db2.gz XPSUGZWWAVCDEA-OAHLLOKOSA-N 1 0 229.323 2.472 20 30 BEEDRO C=CCN(C)CC[N@H+](CC)CCCSC ZINC000340207091 352044154 /nfs/dbraw/zinc/04/41/54/352044154.db2.gz BVQQDZHSQIGDCE-UHFFFAOYSA-N 1 0 230.421 2.179 20 30 BEEDRO C#CC[N@@H+](CCSC)Cc1ccccc1 ZINC000285511806 352047104 /nfs/dbraw/zinc/04/71/04/352047104.db2.gz DJINYIMADHQEFQ-UHFFFAOYSA-N 1 0 219.353 2.485 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000285206073 352029036 /nfs/dbraw/zinc/02/90/36/352029036.db2.gz OIAUWVJEYADDPX-LBPRGKRZSA-N 1 0 236.363 2.348 20 30 BEEDRO CC(C)C(N)=[NH+]OCC[C@H](O)c1ccccc1 ZINC000288613506 352158224 /nfs/dbraw/zinc/15/82/24/352158224.db2.gz NTBKFCRWGUCDDS-LBPRGKRZSA-N 1 0 236.315 2.055 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1CN(C)[C@H](C)CC#N ZINC000340292785 352163793 /nfs/dbraw/zinc/16/37/93/352163793.db2.gz ZGNKMHWKFSQFBH-KGLIPLIRSA-N 1 0 237.391 2.483 20 30 BEEDRO Cc1ccncc1CCC[N@@H+](C)C[C@@H](C)C#N ZINC000289228444 352176384 /nfs/dbraw/zinc/17/63/84/352176384.db2.gz YJFMVRFKDCQUTO-LBPRGKRZSA-N 1 0 231.343 2.414 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000289801490 352199229 /nfs/dbraw/zinc/19/92/29/352199229.db2.gz NYKDUYBMAABAFA-VXNVDRBHSA-N 1 0 245.244 2.301 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000073195524 352144852 /nfs/dbraw/zinc/14/48/52/352144852.db2.gz IPKXYJABWNEDEK-UHFFFAOYSA-N 1 0 244.338 2.067 20 30 BEEDRO CC[C@H](CNC(=[NH2+])Nc1cc(C)cc(C)c1)OC ZINC000290687647 352236614 /nfs/dbraw/zinc/23/66/14/352236614.db2.gz QRWGEQKBJKXLGN-CYBMUJFWSA-N 1 0 249.358 2.455 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)[NH2+]CC ZINC000638400357 352205080 /nfs/dbraw/zinc/20/50/80/352205080.db2.gz IVHCSAGBLKYFSD-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(O)CCCCC2)cc1 ZINC000290103300 352210290 /nfs/dbraw/zinc/21/02/90/352210290.db2.gz NPRQXZRCJRFKKU-UHFFFAOYSA-N 1 0 243.350 2.453 20 30 BEEDRO N#CC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000290190405 352213770 /nfs/dbraw/zinc/21/37/70/352213770.db2.gz FXZBJIJHYYKABW-HNNXBMFYSA-N 1 0 244.338 2.346 20 30 BEEDRO C=CC1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411115509 191159485 /nfs/dbraw/zinc/15/94/85/191159485.db2.gz BCKZIAFBPXITIE-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c1 ZINC000230671001 352220415 /nfs/dbraw/zinc/22/04/15/352220415.db2.gz JTLPXLZJERKRAP-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO C[NH2+]C[C@H](C)CNc1cc(C(C)=O)ccc1C#N ZINC000420206308 192174824 /nfs/dbraw/zinc/17/48/24/192174824.db2.gz PYWCLNMEMAMVEH-JTQLQIEISA-N 1 0 245.326 2.028 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000638454879 352264415 /nfs/dbraw/zinc/26/44/15/352264415.db2.gz MZDDFMBEZRNWCT-NEPJUHHUSA-N 1 0 240.391 2.324 20 30 BEEDRO COc1ccc([C@@H](C)[NH2+]CCCC#N)cc1O ZINC000290820429 352243680 /nfs/dbraw/zinc/24/36/80/352243680.db2.gz WWWUNZOIWSZLMW-SNVBAGLBSA-N 1 0 234.299 2.355 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccccc1C ZINC000320275054 259425316 /nfs/dbraw/zinc/42/53/16/259425316.db2.gz MIQKOSOWZXSLLX-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccccc1C ZINC000320275053 259425421 /nfs/dbraw/zinc/42/54/21/259425421.db2.gz MIQKOSOWZXSLLX-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCNC(=[NH2+])NCc1cccc(SCC)c1 ZINC000291813585 352289965 /nfs/dbraw/zinc/28/99/65/352289965.db2.gz BUQCUMZFCDEIEC-UHFFFAOYSA-N 1 0 249.383 2.389 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H]2CC2(F)F)CC1 ZINC000638524062 352356602 /nfs/dbraw/zinc/35/66/02/352356602.db2.gz KITGKTLCNBUGBJ-PWSUYJOCSA-N 1 0 244.329 2.270 20 30 BEEDRO CC[N@H+](CCO)CCC1(C#N)CCCCC1 ZINC000411219067 191172829 /nfs/dbraw/zinc/17/28/29/191172829.db2.gz CNXFXKFAAPCNFM-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411277040 191173589 /nfs/dbraw/zinc/17/35/89/191173589.db2.gz HMYZUIHCOPDMPJ-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC2(C1)CCOCC2 ZINC000411291367 191175622 /nfs/dbraw/zinc/17/56/22/191175622.db2.gz CHFGCGXIHSARFS-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[NH+](CC)C[C@H]1CCN([C@H](C)CCC#N)C1 ZINC000411300916 191175930 /nfs/dbraw/zinc/17/59/30/191175930.db2.gz RAVYIEHOCWGFOA-ZIAGYGMSSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411315733 191176985 /nfs/dbraw/zinc/17/69/85/191176985.db2.gz JKKIZNSCZVCTMW-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCOC2(CCCC2)C1 ZINC000411324532 191178504 /nfs/dbraw/zinc/17/85/04/191178504.db2.gz KTLFXDWNSVRQOQ-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CCSCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000336739111 352360537 /nfs/dbraw/zinc/36/05/37/352360537.db2.gz OXFQTWFZKSFBJZ-NSHDSACASA-N 1 0 239.388 2.380 20 30 BEEDRO CCCC[N@H+](CCCO)[C@H](C)CCC#N ZINC000411485392 191188247 /nfs/dbraw/zinc/18/82/47/191188247.db2.gz QJTKIPUGAQHLAN-GFCCVEGCSA-N 1 0 212.337 2.163 20 30 BEEDRO COC1(C)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000411485126 191188444 /nfs/dbraw/zinc/18/84/44/191188444.db2.gz QFQSVWLDFXIHBM-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO COC(=O)C[C@H]([NH2+]CCC#N)C1CCCCC1 ZINC000411519189 191191113 /nfs/dbraw/zinc/19/11/13/191191113.db2.gz RKGBBHZAFJNYQA-LBPRGKRZSA-N 1 0 238.331 2.002 20 30 BEEDRO CCC(CC)(C[NH2+][C@@H](C)CCC#N)C(=O)OC ZINC000411400439 191182956 /nfs/dbraw/zinc/18/29/56/191182956.db2.gz JRZPYEHUHBLYQN-NSHDSACASA-N 1 0 240.347 2.248 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCC(C)(C)C#N ZINC000411637799 191201091 /nfs/dbraw/zinc/20/10/91/191201091.db2.gz GHMBUFAUKRTEMP-UHFFFAOYSA-N 1 0 237.391 2.366 20 30 BEEDRO C=CCCC[N@@H+](CC)CCN(C)CC=C ZINC000411637028 191201766 /nfs/dbraw/zinc/20/17/66/191201766.db2.gz FGGCCWFLRPPGCO-UHFFFAOYSA-N 1 0 210.365 2.392 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCc1ccccn1 ZINC000411648129 191202338 /nfs/dbraw/zinc/20/23/38/191202338.db2.gz ZMJIWLXKWDLIDD-UHFFFAOYSA-N 1 0 247.386 2.064 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1cccc(C)n1 ZINC000411644675 191202586 /nfs/dbraw/zinc/20/25/86/191202586.db2.gz RIZGMNJBGWSUEK-UHFFFAOYSA-N 1 0 247.386 2.330 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H](CO)c1ccsc1 ZINC000411537988 191192291 /nfs/dbraw/zinc/19/22/91/191192291.db2.gz AONMCXVKYNUNBW-MWLCHTKSSA-N 1 0 224.329 2.063 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411565383 191194124 /nfs/dbraw/zinc/19/41/24/191194124.db2.gz FEGDGJSFMVVYQC-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638647251 352491240 /nfs/dbraw/zinc/49/12/40/352491240.db2.gz NAKBOSOEBFPGIB-WCQYABFASA-N 1 0 236.359 2.012 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000411800956 191212553 /nfs/dbraw/zinc/21/25/53/191212553.db2.gz MAPGXJMDHXJODG-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638611013 352449570 /nfs/dbraw/zinc/44/95/70/352449570.db2.gz RPLZBGHUNLXMKS-SECBINFHSA-N 1 0 242.269 2.298 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc(F)c1N ZINC000638611376 352449586 /nfs/dbraw/zinc/44/95/86/352449586.db2.gz UIGQJNZLCNOEEY-VIFPVBQESA-N 1 0 208.280 2.462 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CCCO1 ZINC000411773451 191210173 /nfs/dbraw/zinc/21/01/73/191210173.db2.gz STEGRYUAXPFJEX-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000411790835 191211469 /nfs/dbraw/zinc/21/14/69/191211469.db2.gz HEBCPFDUHIPBLU-AAVRWANBSA-N 1 0 236.359 2.304 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000411798423 191212021 /nfs/dbraw/zinc/21/20/21/191212021.db2.gz VJZXDPUTUIXBOX-OLZOCXBDSA-N 1 0 223.364 2.095 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000388260368 352490097 /nfs/dbraw/zinc/49/00/97/352490097.db2.gz BEPCHECNQLFODT-NHYWBVRUSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCCCC1 ZINC000073598165 352508851 /nfs/dbraw/zinc/50/88/51/352508851.db2.gz MZXIWHNDLCKPOP-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCC(CC=C)C(=O)NCCCC[NH+](C)C ZINC000268162381 187745616 /nfs/dbraw/zinc/74/56/16/187745616.db2.gz DTDUTYYQLOVWRW-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411890991 191224571 /nfs/dbraw/zinc/22/45/71/191224571.db2.gz FXQPSMPLSIESAM-CABCVRRESA-N 1 0 247.338 2.091 20 30 BEEDRO C=C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229203740 352647370 /nfs/dbraw/zinc/64/73/70/352647370.db2.gz WPLGFQWHUGUYDG-JTQLQIEISA-N 1 0 220.272 2.301 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)cc2)C1 ZINC000044537759 352654848 /nfs/dbraw/zinc/65/48/48/352654848.db2.gz LMLFSRVPOYGSNB-ZDUSSCGKSA-N 1 0 229.327 2.312 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccccc1 ZINC000411923097 191227711 /nfs/dbraw/zinc/22/77/11/191227711.db2.gz KCMNNKLRDRIOET-LSDHHAIUSA-N 1 0 229.323 2.208 20 30 BEEDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(C#N)c2)C1 ZINC000389511869 352621400 /nfs/dbraw/zinc/62/14/00/352621400.db2.gz FEMJQOBZTSNDSC-SWLSCSKDSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](C2CCC2)C1 ZINC000411853782 191221299 /nfs/dbraw/zinc/22/12/99/191221299.db2.gz SLXQFAIYMWIGBM-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000411973044 191232844 /nfs/dbraw/zinc/23/28/44/191232844.db2.gz QYYASYXFVBUWSF-YPMHNXCESA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411963770 191235175 /nfs/dbraw/zinc/23/51/75/191235175.db2.gz XZUQFVMDLSELRX-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCCC[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000411993390 191235463 /nfs/dbraw/zinc/23/54/63/191235463.db2.gz ZFKWENZMKLTWDM-UONOGXRCSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000411981471 191236253 /nfs/dbraw/zinc/23/62/53/191236253.db2.gz AWYKZCCGDOOXTJ-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO CC#CC[NH2+]C1(c2ccc(F)cc2)CC1 ZINC000336745149 352701201 /nfs/dbraw/zinc/70/12/01/352701201.db2.gz AWUIFJMZOZXMDH-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO COC1([C@@H](C)[NH2+]CCCCC#N)CCC1 ZINC000412027208 191240244 /nfs/dbraw/zinc/24/02/44/191240244.db2.gz UZGUNNZTCUKZMW-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[N@H+](CCOCCC#N)Cc1occc1C ZINC000412024962 191240523 /nfs/dbraw/zinc/24/05/23/191240523.db2.gz GVRJKFBEFOYSNR-UHFFFAOYSA-N 1 0 236.315 2.340 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412045607 191243422 /nfs/dbraw/zinc/24/34/22/191243422.db2.gz YEDSHHPEBKKCCN-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](Cc1ccccc1)OC ZINC000638747811 352682371 /nfs/dbraw/zinc/68/23/71/352682371.db2.gz JMPKYIOSDXGFER-JSGCOSHPSA-N 1 0 219.328 2.408 20 30 BEEDRO CO[C@](C)([C@@H](C)[NH2+]CCCC#N)C1CC1 ZINC000411934947 191230698 /nfs/dbraw/zinc/23/06/98/191230698.db2.gz AOSFALHDKCJOKE-ZYHUDNBSSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000334186871 352776761 /nfs/dbraw/zinc/77/67/61/352776761.db2.gz GYABLTBCVGBTRF-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO N#CC1(CN2CCc3ccc(F)cc3C2)CC1 ZINC000334176698 352761830 /nfs/dbraw/zinc/76/18/30/352761830.db2.gz CEBFFTUATFMSEE-UHFFFAOYSA-N 1 0 230.286 2.488 20 30 BEEDRO CC1([NH2+]Cc2nc(C#N)cs2)CCCC1 ZINC000335606010 535188871 /nfs/dbraw/zinc/18/88/71/535188871.db2.gz SEGZZBPCUMYDNH-UHFFFAOYSA-N 1 0 221.329 2.437 20 30 BEEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1CCC(C)(C)C#N ZINC000412083490 191255425 /nfs/dbraw/zinc/25/54/25/191255425.db2.gz NDYNIKIJYUISIR-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1CCC(C)(C)C#N ZINC000412083488 191255582 /nfs/dbraw/zinc/25/55/82/191255582.db2.gz NDYNIKIJYUISIR-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO COC1(C[NH+]2CCC(C#N)CC2)CCCC1 ZINC000334247640 352838890 /nfs/dbraw/zinc/83/88/90/352838890.db2.gz MPATZYNVBDNVRH-UHFFFAOYSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(CC)C[NH+]1CCN(c2cnccc2C)CC1 ZINC000343043869 352953101 /nfs/dbraw/zinc/95/31/01/352953101.db2.gz PZOOTBAFRSFYJY-UHFFFAOYSA-N 1 0 245.370 2.478 20 30 BEEDRO N#CC1(CN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000334323328 352961348 /nfs/dbraw/zinc/96/13/48/352961348.db2.gz JMPJFLHCFLDYOB-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)C1CCCCCC1 ZINC000336748354 352965978 /nfs/dbraw/zinc/96/59/78/352965978.db2.gz DIVOIKUEHWTOEA-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)CN1CCC([NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000336751428 353059341 /nfs/dbraw/zinc/05/93/41/353059341.db2.gz VHVYOWJQLPMROU-STQMWFEESA-N 1 0 222.376 2.273 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC[NH2+]C1CC1 ZINC000638866774 353041219 /nfs/dbraw/zinc/04/12/19/353041219.db2.gz VHNASUZRAODQJB-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000638875245 353041455 /nfs/dbraw/zinc/04/14/55/353041455.db2.gz PWXRHHFFBDSKTM-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C1([NH3+])CCCC1 ZINC000638875239 353041566 /nfs/dbraw/zinc/04/15/66/353041566.db2.gz PRRVURYCEHVVDV-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000638875045 353041697 /nfs/dbraw/zinc/04/16/97/353041697.db2.gz MSGFJKWHCWBRIB-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](C)[NH2+]CCC ZINC000638876045 353042066 /nfs/dbraw/zinc/04/20/66/353042066.db2.gz WZBVSTZCSLHQSW-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000638876398 353042273 /nfs/dbraw/zinc/04/22/73/353042273.db2.gz YOCOTMRBBJKJPC-MNOVXSKESA-N 1 0 226.364 2.078 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)c1c[nH+]ccc1N ZINC000638873593 353043686 /nfs/dbraw/zinc/04/36/86/353043686.db2.gz BYDQTBIPFXVZEU-UHFFFAOYSA-N 1 0 247.342 2.216 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1c[nH]nc1C(C)(C)C ZINC000379430218 358474465 /nfs/dbraw/zinc/47/44/65/358474465.db2.gz DVPDVRCEJFGIAT-NSHDSACASA-N 1 0 219.332 2.209 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000336752412 353082533 /nfs/dbraw/zinc/08/25/33/353082533.db2.gz DHKSFABXETVDNG-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=C(CC)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000334407618 353089155 /nfs/dbraw/zinc/08/91/55/353089155.db2.gz HLSPTRXGGITZRZ-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000334423868 353102599 /nfs/dbraw/zinc/10/25/99/353102599.db2.gz GCJZVEQAKCZEEO-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO Cc1ccc(NCC(C)(C)C[NH+](C)C)nc1C#N ZINC000302724118 188059285 /nfs/dbraw/zinc/05/92/85/188059285.db2.gz QYLJBNSSTKOPLI-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO N#Cc1csc(C[NH2+]Cc2ncccc2O)c1 ZINC000355288208 188063807 /nfs/dbraw/zinc/06/38/07/188063807.db2.gz JUJWMKRASVCTKB-UHFFFAOYSA-N 1 0 245.307 2.010 20 30 BEEDRO C=C(C)CN1Cc2ccccc2C[C@H]1C(=O)OC ZINC000176841510 188079446 /nfs/dbraw/zinc/07/94/46/188079446.db2.gz IZEPWKNZBNMKMK-AWEZNQCLSA-N 1 0 245.322 2.162 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000179522146 188080516 /nfs/dbraw/zinc/08/05/16/188080516.db2.gz RFMWGNFHQWWOCR-CQSZACIVSA-N 1 0 247.338 2.208 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2ncc(C)cn2)CC1 ZINC000270273825 188089537 /nfs/dbraw/zinc/08/95/37/188089537.db2.gz KVJJVALOYUULQI-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H](O)c1ccc(C#N)cc1 ZINC000268642355 188089588 /nfs/dbraw/zinc/08/95/88/188089588.db2.gz DSAULSCVURVGSG-OAHLLOKOSA-N 1 0 244.338 2.490 20 30 BEEDRO COC1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000336759407 353169566 /nfs/dbraw/zinc/16/95/66/353169566.db2.gz IXHMKSZMRFFBNA-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000272593519 188089976 /nfs/dbraw/zinc/08/99/76/188089976.db2.gz NASWIIHGJUMLNI-UHFFFAOYSA-N 1 0 249.329 2.316 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)c1ccc(F)cc1 ZINC000272310567 188090298 /nfs/dbraw/zinc/09/02/98/188090298.db2.gz ROKPVRUZRORILT-UHFFFAOYSA-N 1 0 233.286 2.354 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CC1CCCC1 ZINC000336759749 353170708 /nfs/dbraw/zinc/17/07/08/353170708.db2.gz LOSDDIXCMMNVRN-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CC1CCCC1 ZINC000336759750 353170826 /nfs/dbraw/zinc/17/08/26/353170826.db2.gz LOSDDIXCMMNVRN-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000274514592 188092677 /nfs/dbraw/zinc/09/26/77/188092677.db2.gz WHFFCODRSAEHKJ-UHFFFAOYSA-N 1 0 236.315 2.247 20 30 BEEDRO C#CC[N@H+](C)CCC(=O)c1ccc(C)cc1 ZINC000276763274 188094179 /nfs/dbraw/zinc/09/41/79/188094179.db2.gz GODJRWVBBGVVIO-UHFFFAOYSA-N 1 0 215.296 2.133 20 30 BEEDRO C#CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278834031 188095792 /nfs/dbraw/zinc/09/57/92/188095792.db2.gz ISRVASBFMUJSIU-UHFFFAOYSA-N 1 0 243.354 2.032 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000290103956 188096435 /nfs/dbraw/zinc/09/64/35/188096435.db2.gz KOIQUQUSTJKWFM-LLVKDONJSA-N 1 0 204.273 2.429 20 30 BEEDRO CC(C)(CCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000080535669 188137204 /nfs/dbraw/zinc/13/72/04/188137204.db2.gz BIHUQZQQLQWNAW-UHFFFAOYSA-N 1 0 232.327 2.056 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CCC1CC1 ZINC000336762727 353208623 /nfs/dbraw/zinc/20/86/23/353208623.db2.gz OLMVDWGQPHKBHN-YPMHNXCESA-N 1 0 211.349 2.339 20 30 BEEDRO COCC[C@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000336762862 353210476 /nfs/dbraw/zinc/21/04/76/353210476.db2.gz OETRDADGDZUZJE-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCN(C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000121185094 324004465 /nfs/dbraw/zinc/00/44/65/324004465.db2.gz YEVQSWKFHFJYQQ-LBPRGKRZSA-N 1 0 232.327 2.156 20 30 BEEDRO CC(C)C[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189580875 188171864 /nfs/dbraw/zinc/17/18/64/188171864.db2.gz KMYTYRPQJKWEFO-NSHDSACASA-N 1 0 219.332 2.421 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnc2ccccn12 ZINC000134501855 538112710 /nfs/dbraw/zinc/11/27/10/538112710.db2.gz PAZXQKSINABNND-UHFFFAOYSA-N 1 0 245.326 2.017 20 30 BEEDRO CC(C)(CCCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000221399758 188180674 /nfs/dbraw/zinc/18/06/74/188180674.db2.gz UFPHHVPTEXBLDG-UHFFFAOYSA-N 1 0 246.354 2.447 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1(O)CCCC1 ZINC000126791163 353255427 /nfs/dbraw/zinc/25/54/27/353255427.db2.gz BBUFOUVUDRNKCW-UHFFFAOYSA-N 1 0 224.348 2.211 20 30 BEEDRO CC[C@H](O)CCC[NH2+]Cc1ccc(C#N)s1 ZINC000165233040 353257542 /nfs/dbraw/zinc/25/75/42/353257542.db2.gz UJQJGRNUOXDIHX-JTQLQIEISA-N 1 0 238.356 2.260 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccccc1F ZINC000336764783 353257632 /nfs/dbraw/zinc/25/76/32/353257632.db2.gz QLXHYRIMJOBOFY-VHSXEESVSA-N 1 0 209.264 2.023 20 30 BEEDRO CCc1cc(CCC[NH2+][C@@H]2CCC[C@@H]2C#N)on1 ZINC000331331703 353241003 /nfs/dbraw/zinc/24/10/03/353241003.db2.gz HSYMDZYFPUUAKS-BXUZGUMPSA-N 1 0 247.342 2.451 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C1CCCC1 ZINC000053435390 353244439 /nfs/dbraw/zinc/24/44/39/353244439.db2.gz ZIBPSGFVEDVWOX-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@H+](C)CCOc1cccc(C)c1 ZINC000053421315 353244503 /nfs/dbraw/zinc/24/45/03/353244503.db2.gz IZSBNIWHLSTZHL-UHFFFAOYSA-N 1 0 205.301 2.492 20 30 BEEDRO CC(C)[NH+](CCNc1cccc(C#N)n1)C(C)C ZINC000080116873 188222400 /nfs/dbraw/zinc/22/24/00/188222400.db2.gz JEONWWIAXPGWKW-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO C=CC[NH2+][C@@H](CC(=O)OC)C1CCCCC1 ZINC000336769423 353287767 /nfs/dbraw/zinc/28/77/67/353287767.db2.gz RWIICNWCXSVHQP-LBPRGKRZSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC1CCC(C)(C)CC1 ZINC000336769901 353292681 /nfs/dbraw/zinc/29/26/81/353292681.db2.gz WDVGBUODHRHGPS-GFCCVEGCSA-N 1 0 211.349 2.339 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1cccc(C#N)n1 ZINC000290769188 188223520 /nfs/dbraw/zinc/22/35/20/188223520.db2.gz VELDJFKGILCGJC-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(C=C)CC1 ZINC000128635735 353298447 /nfs/dbraw/zinc/29/84/47/353298447.db2.gz AYILJRFYYVSLNW-ZDUSSCGKSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccn(C)n1 ZINC000336770889 353302874 /nfs/dbraw/zinc/30/28/74/353302874.db2.gz XCKVYJMFTAEMMW-WDEREUQCSA-N 1 0 207.321 2.110 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000193367898 363213269 /nfs/dbraw/zinc/21/32/69/363213269.db2.gz HJJRLHVPPXQXIV-CYBMUJFWSA-N 1 0 238.375 2.320 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cnccc1C ZINC000129981026 353338503 /nfs/dbraw/zinc/33/85/03/353338503.db2.gz UFHSJTKEQUACKB-LBPRGKRZSA-N 1 0 234.368 2.407 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H](OC)C1CCCCC1 ZINC000639044101 353332608 /nfs/dbraw/zinc/33/26/08/353332608.db2.gz FGLCFRXGCKMROM-KGLIPLIRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000639044102 353332659 /nfs/dbraw/zinc/33/26/59/353332659.db2.gz FGLCFRXGCKMROM-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H](OC)C1CCCCC1 ZINC000639044103 353332732 /nfs/dbraw/zinc/33/27/32/353332732.db2.gz FGLCFRXGCKMROM-ZIAGYGMSSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCSCC[NH2+]Cc1nc(C#N)cs1 ZINC000336772248 353319969 /nfs/dbraw/zinc/31/99/69/353319969.db2.gz XYKNPUHBISAIJT-UHFFFAOYSA-N 1 0 239.369 2.024 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc2ccccc2n1C ZINC000639044197 353328679 /nfs/dbraw/zinc/32/86/79/353328679.db2.gz GTGBVLAUILJQJW-CYBMUJFWSA-N 1 0 244.338 2.205 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cnccc1C ZINC000129980842 353337819 /nfs/dbraw/zinc/33/78/19/353337819.db2.gz UFHSJTKEQUACKB-GFCCVEGCSA-N 1 0 234.368 2.407 20 30 BEEDRO CCC(N)=[NH+]OCc1csc([C@@H](C)OC)n1 ZINC000267005985 535226452 /nfs/dbraw/zinc/22/64/52/535226452.db2.gz JTDXGDXTDHVDDZ-SSDOTTSWSA-N 1 0 243.332 2.049 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1ccccn1 ZINC000090883669 353395185 /nfs/dbraw/zinc/39/51/85/353395185.db2.gz ZWVXYNXLTMHGCG-LBPRGKRZSA-N 1 0 220.316 2.325 20 30 BEEDRO C=CCCC[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000281598789 353444480 /nfs/dbraw/zinc/44/44/80/353444480.db2.gz FQOZVQNIUMMMCW-HNNXBMFYSA-N 1 0 247.338 2.213 20 30 BEEDRO C[NH+](C)CCSc1snc(Cl)c1C#N ZINC000092675598 353446169 /nfs/dbraw/zinc/44/61/69/353446169.db2.gz BEUNKGPFKNZBOC-UHFFFAOYSA-N 1 0 247.776 2.322 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000281389153 353446174 /nfs/dbraw/zinc/44/61/74/353446174.db2.gz ZJFHXAQYNRBSTI-UONOGXRCSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000281402684 353446818 /nfs/dbraw/zinc/44/68/18/353446818.db2.gz PRKZLCCMIBYQRA-NSHDSACASA-N 1 0 249.358 2.161 20 30 BEEDRO C=CCC1(C(=O)NC[C@H](C)[NH+](C)C)CCCC1 ZINC000412395497 191280299 /nfs/dbraw/zinc/28/02/99/191280299.db2.gz RQPNPNXXACBJAI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+](CCO)Cc1ccc(C)cc1 ZINC000181970396 353458116 /nfs/dbraw/zinc/45/81/16/353458116.db2.gz YOZKCRZDDQWFSU-UHFFFAOYSA-N 1 0 219.328 2.365 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282024113 353460996 /nfs/dbraw/zinc/46/09/96/353460996.db2.gz KLDMSEWQCGNNAV-CYBMUJFWSA-N 1 0 243.354 2.032 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](CO)c1ccsc1 ZINC000309099367 538117603 /nfs/dbraw/zinc/11/76/03/538117603.db2.gz FAWRCQFVCBFVPO-CMPLNLGQSA-N 1 0 223.341 2.173 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccc(C)s1 ZINC000134401764 353494538 /nfs/dbraw/zinc/49/45/38/353494538.db2.gz VNTRTMKSCLLGBA-JTQLQIEISA-N 1 0 238.356 2.009 20 30 BEEDRO C=CCCN(C)[C@H](C)c1nnc(C)s1 ZINC000282468246 353480079 /nfs/dbraw/zinc/48/00/79/353480079.db2.gz KMXUEUUAXSQMDQ-MRVPVSSYSA-N 1 0 211.334 2.415 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284337636 353511426 /nfs/dbraw/zinc/51/14/26/353511426.db2.gz QYPOJCLGDHWRCT-CABCVRRESA-N 1 0 228.339 2.045 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000284597471 353515015 /nfs/dbraw/zinc/51/50/15/353515015.db2.gz HKAKKSQXHFSOHG-GFCCVEGCSA-N 1 0 243.310 2.419 20 30 BEEDRO C[C@H](CO)[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000284706196 353520306 /nfs/dbraw/zinc/52/03/06/353520306.db2.gz IUCRHHMQJFVPON-LLVKDONJSA-N 1 0 237.730 2.004 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000191935930 353522837 /nfs/dbraw/zinc/52/28/37/353522837.db2.gz FHZBJTGSSMGKLF-GFCCVEGCSA-N 1 0 235.327 2.146 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](OC)[C@@H](C)CC ZINC000639101054 353529418 /nfs/dbraw/zinc/52/94/18/353529418.db2.gz UMGOYSMQQSGTJN-QWHCGFSZSA-N 1 0 229.364 2.182 20 30 BEEDRO CCOC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000192054991 353533871 /nfs/dbraw/zinc/53/38/71/353533871.db2.gz RIMAUBUNCHYVBN-INIZCTEOSA-N 1 0 243.350 2.397 20 30 BEEDRO C#CC[N@@H+](CCC(=O)OCC)Cc1ccccc1 ZINC000285666216 353538814 /nfs/dbraw/zinc/53/88/14/353538814.db2.gz MKXNDKINTHYKSU-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285732855 353541316 /nfs/dbraw/zinc/54/13/16/353541316.db2.gz QTBZMRHTXOBIAF-LLVKDONJSA-N 1 0 221.304 2.481 20 30 BEEDRO C#CCC[N@H+]1CCOc2ccc(C)cc2C1 ZINC000285765553 353550143 /nfs/dbraw/zinc/55/01/43/353550143.db2.gz ZSQHHFCOTDHJQE-UHFFFAOYSA-N 1 0 215.296 2.213 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@@H]1CCC[C@@H]1O ZINC000192130537 353543161 /nfs/dbraw/zinc/54/31/61/353543161.db2.gz WQJAMEAYNNJBNB-HOTGVXAUSA-N 1 0 243.350 2.131 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@H]1CCSC1 ZINC000192131371 353543528 /nfs/dbraw/zinc/54/35/28/353543528.db2.gz IUQKEXXPPSIHEL-AWEZNQCLSA-N 1 0 231.364 2.475 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000192133683 353544217 /nfs/dbraw/zinc/54/42/17/353544217.db2.gz NCAVWEZRGXGAOH-OLZOCXBDSA-N 1 0 237.249 2.018 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1F)C[C@H](C)O ZINC000192971779 353576118 /nfs/dbraw/zinc/57/61/18/353576118.db2.gz LHSYCNLQLQLEOE-NSHDSACASA-N 1 0 223.291 2.195 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287889311 353592751 /nfs/dbraw/zinc/59/27/51/353592751.db2.gz UCIXHLUWUPIHFO-CYBMUJFWSA-N 1 0 239.746 2.361 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Oc2ccccc2OC)C1 ZINC000286618203 353564225 /nfs/dbraw/zinc/56/42/25/353564225.db2.gz XMLJCFDOLXPUFN-ZDUSSCGKSA-N 1 0 245.322 2.172 20 30 BEEDRO C=C(C)C[N@@H+](CCOC)Cc1ccccn1 ZINC000287202162 353573406 /nfs/dbraw/zinc/57/34/06/353573406.db2.gz DNMLXSZDOKKLMN-UHFFFAOYSA-N 1 0 220.316 2.106 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(OC)cc(OC)c1)C(C)C ZINC000289370520 353626273 /nfs/dbraw/zinc/62/62/73/353626273.db2.gz LIQQFIZDOWJVNQ-HNNXBMFYSA-N 1 0 247.338 2.451 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289400463 353626804 /nfs/dbraw/zinc/62/68/04/353626804.db2.gz NXKFDXRDTDHTJR-HUUCEWRRSA-N 1 0 228.339 2.045 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1nc2ccccc2n1C)C(C)C ZINC000289510828 353630475 /nfs/dbraw/zinc/63/04/75/353630475.db2.gz OSIWNBQXAOFYSI-GFCCVEGCSA-N 1 0 241.338 2.321 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(OC)n1)C(C)(C)C ZINC000290288550 353652970 /nfs/dbraw/zinc/65/29/70/353652970.db2.gz ZZRRSHDMFKOTJN-GFCCVEGCSA-N 1 0 232.327 2.228 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000289527218 353631813 /nfs/dbraw/zinc/63/18/13/353631813.db2.gz GHSJLPDRESHWOH-CJNGLKHVSA-N 1 0 243.350 2.403 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1ccc(OC)cc1 ZINC000289576571 353632479 /nfs/dbraw/zinc/63/24/79/353632479.db2.gz BGHFXQUGCSGTCD-OCCSQVGLSA-N 1 0 249.354 2.153 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCc1ccc(C)cc1 ZINC000289574527 353632540 /nfs/dbraw/zinc/63/25/40/353632540.db2.gz BDHQYFVWJLJXPN-HIFRSBDPSA-N 1 0 233.355 2.453 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCc1cn[nH]c1 ZINC000289564289 353632840 /nfs/dbraw/zinc/63/28/40/353632840.db2.gz APOWYKZKMUVXIJ-LBPRGKRZSA-N 1 0 207.321 2.287 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000289776606 353635179 /nfs/dbraw/zinc/63/51/79/353635179.db2.gz MKQRNRLILJFRFL-YPMHNXCESA-N 1 0 235.327 2.288 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(c2ccc(C)cc2)C1 ZINC000289795134 353635957 /nfs/dbraw/zinc/63/59/57/353635957.db2.gz NLNMJJXSHDAPIS-SLTAFYQDSA-N 1 0 231.339 2.378 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc(OC(C)C)c1 ZINC000289809860 353636521 /nfs/dbraw/zinc/63/65/21/353636521.db2.gz LNDMUCGQCCRZHY-CYBMUJFWSA-N 1 0 235.327 2.110 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000289803008 353636882 /nfs/dbraw/zinc/63/68/82/353636882.db2.gz LBIOVUWQGZEIGA-LLVKDONJSA-N 1 0 247.294 2.078 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000184261527 353637469 /nfs/dbraw/zinc/63/74/69/353637469.db2.gz YILFDYPMCUYZKE-GMXVVIOVSA-N 1 0 235.327 2.430 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)cc1 ZINC000289837497 353639925 /nfs/dbraw/zinc/63/99/25/353639925.db2.gz UQVHZHOJMKRHHA-HZPDHXFCSA-N 1 0 243.350 2.309 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC000289875254 353640645 /nfs/dbraw/zinc/64/06/45/353640645.db2.gz RRCGPLMJGCHMKF-SMDDNHRTSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1 ZINC000289931458 353643113 /nfs/dbraw/zinc/64/31/13/353643113.db2.gz VNQCYQBIBMRPEX-UNQGMJICSA-N 1 0 231.339 2.315 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000290076596 353647357 /nfs/dbraw/zinc/64/73/57/353647357.db2.gz LNGZVFGWBQVFNJ-DOMZBBRYSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCN(Cc1cnn(C)n1)Cc1ccccc1 ZINC000290043716 353647503 /nfs/dbraw/zinc/64/75/03/353647503.db2.gz RCVZLHFLBZKZTF-UHFFFAOYSA-N 1 0 242.326 2.003 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)cc1 ZINC000290081733 353647890 /nfs/dbraw/zinc/64/78/90/353647890.db2.gz QQRKXUSLVYPCIF-OAHLLOKOSA-N 1 0 229.323 2.015 20 30 BEEDRO CC[N@@H+]1CC[C@H](N(C)CC2(C#N)CC2)C[C@@H]1C ZINC000343316753 353650009 /nfs/dbraw/zinc/65/00/09/353650009.db2.gz SZPKOPFRJUHUSE-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000336780883 353609886 /nfs/dbraw/zinc/60/98/86/353609886.db2.gz SKFSWQCLAUJICC-GXTWGEPZSA-N 1 0 231.364 2.379 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000135975530 353610377 /nfs/dbraw/zinc/61/03/77/353610377.db2.gz TUCHOGCXHQZMPX-HNNXBMFYSA-N 1 0 246.354 2.285 20 30 BEEDRO C#CCCC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000288595292 353611499 /nfs/dbraw/zinc/61/14/99/353611499.db2.gz DPLADOHVIVMKOW-UHFFFAOYSA-N 1 0 243.306 2.273 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000289348764 353614446 /nfs/dbraw/zinc/61/44/46/353614446.db2.gz XBDWXYGKWMYXNW-UHFFFAOYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C)c(O)c(C)c1 ZINC000289344305 353614548 /nfs/dbraw/zinc/61/45/48/353614548.db2.gz MFZMHITVDXBJMO-UHFFFAOYSA-N 1 0 217.312 2.464 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(OC)ccc1OC ZINC000063742772 353615623 /nfs/dbraw/zinc/61/56/23/353615623.db2.gz TVLRKVDNGWSGIC-UHFFFAOYSA-N 1 0 221.300 2.322 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCN2CC)cc1 ZINC000289206691 353619447 /nfs/dbraw/zinc/61/94/47/353619447.db2.gz IEJJDYXAAMRUQO-MRXNPFEDSA-N 1 0 242.366 2.242 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](C)[NH2+]CCC ZINC000577886128 366096569 /nfs/dbraw/zinc/09/65/69/366096569.db2.gz AUZGLTPHYJPKGH-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)C[C@H](C)OC ZINC000291364952 353687271 /nfs/dbraw/zinc/68/72/71/353687271.db2.gz ZHSVNNGCXPTTRX-AWEZNQCLSA-N 1 0 231.339 2.395 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000366820284 353700321 /nfs/dbraw/zinc/70/03/21/353700321.db2.gz HABRCQURSYSPOH-JHJVBQTASA-N 1 0 246.354 2.227 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000292013875 353704012 /nfs/dbraw/zinc/70/40/12/353704012.db2.gz DLMJVHNYCASIJV-LBPRGKRZSA-N 1 0 238.375 2.389 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000291785740 353704581 /nfs/dbraw/zinc/70/45/81/353704581.db2.gz MLENOZPGJMKLDD-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)c1cccc(F)c1 ZINC000336782694 353734828 /nfs/dbraw/zinc/73/48/28/353734828.db2.gz YNMWWNPJCYQVAP-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1ccc(=O)[nH]c1 ZINC000639113250 353710761 /nfs/dbraw/zinc/71/07/61/353710761.db2.gz YBHQGNPPBCVQSZ-LBPRGKRZSA-N 1 0 218.300 2.328 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292635481 353718361 /nfs/dbraw/zinc/71/83/61/353718361.db2.gz HAEWCEYAKKXQOC-AWEZNQCLSA-N 1 0 229.323 2.113 20 30 BEEDRO C=CC(C)(C)CCNC(=O)N[C@H](C)CCC[NH3+] ZINC000627096256 363253541 /nfs/dbraw/zinc/25/35/41/363253541.db2.gz UFDGKWRDNVEOOX-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000292698587 353720680 /nfs/dbraw/zinc/72/06/80/353720680.db2.gz CZWREICQJJXDIP-HNNXBMFYSA-N 1 0 249.354 2.245 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H](C)c1ccncc1 ZINC000292718599 353721256 /nfs/dbraw/zinc/72/12/56/353721256.db2.gz AJTQPSCHZJKHGB-GFCCVEGCSA-N 1 0 220.316 2.277 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1conc1C ZINC000293167068 353735503 /nfs/dbraw/zinc/73/55/03/353735503.db2.gz GBVRWORRXQZXRS-YPMHNXCESA-N 1 0 236.315 2.054 20 30 BEEDRO CC#CCN(C)Cc1nc(-c2ccsc2)no1 ZINC000293086685 353732709 /nfs/dbraw/zinc/73/27/09/353732709.db2.gz KCJSKAHRDDHPCM-UHFFFAOYSA-N 1 0 247.323 2.253 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000293725148 353755721 /nfs/dbraw/zinc/75/57/21/353755721.db2.gz FZYVBFKIYCZEOH-LBPRGKRZSA-N 1 0 220.316 2.277 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000293725145 353755792 /nfs/dbraw/zinc/75/57/92/353755792.db2.gz FZYVBFKIYCZEOH-GFCCVEGCSA-N 1 0 220.316 2.277 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H](C)c1ccccn1 ZINC000293852523 353761451 /nfs/dbraw/zinc/76/14/51/353761451.db2.gz RHGWXZZQIOYDKK-LBPRGKRZSA-N 1 0 220.316 2.277 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000293929528 353765064 /nfs/dbraw/zinc/76/50/64/353765064.db2.gz YRNKAGAXPSIWEC-AWEZNQCLSA-N 1 0 232.327 2.421 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC)cc1 ZINC000293378004 353746121 /nfs/dbraw/zinc/74/61/21/353746121.db2.gz IFPNUWYXOVNSIG-OCCSQVGLSA-N 1 0 247.338 2.120 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccoc1C ZINC000293386904 353747830 /nfs/dbraw/zinc/74/78/30/353747830.db2.gz GPNGYAQWBZWZMO-UHFFFAOYSA-N 1 0 209.289 2.222 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)[C@@H](CC)CO)c1 ZINC000295184494 353798906 /nfs/dbraw/zinc/79/89/06/353798906.db2.gz WIVQPBBHHFPIBL-AWEZNQCLSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CCOCC[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000295214669 353799441 /nfs/dbraw/zinc/79/94/41/353799441.db2.gz PYCCHFAOHHEEAV-UHFFFAOYSA-N 1 0 244.338 2.373 20 30 BEEDRO CC(C)[NH+](CCNc1cccnc1C#N)C(C)C ZINC000129809488 188512139 /nfs/dbraw/zinc/51/21/39/188512139.db2.gz RLVQYSLQIRXKKH-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)CCC ZINC000295331823 353804130 /nfs/dbraw/zinc/80/41/30/353804130.db2.gz PDHPLYGWOMDNCD-HNNXBMFYSA-N 1 0 231.339 2.283 20 30 BEEDRO CC#CC[N@@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000296694489 353831111 /nfs/dbraw/zinc/83/11/11/353831111.db2.gz KFHWOTBPHQMRPG-OAHLLOKOSA-N 1 0 231.339 2.199 20 30 BEEDRO C=CCOCC[NH2+][C@H](CCOC)c1ccco1 ZINC000294751308 353788091 /nfs/dbraw/zinc/78/80/91/353788091.db2.gz XQPHTWNOWWFUGM-GFCCVEGCSA-N 1 0 239.315 2.149 20 30 BEEDRO N#CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000032103577 181032592 /nfs/dbraw/zinc/03/25/92/181032592.db2.gz NVEYBRHZGJGYKD-UHFFFAOYSA-N 1 0 248.301 2.440 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC000343542181 353917548 /nfs/dbraw/zinc/91/75/48/353917548.db2.gz ZATPGTNOHASBCB-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)CCC)C1=O ZINC000343616406 353946546 /nfs/dbraw/zinc/94/65/46/353946546.db2.gz SYNJGRQGPGEIMQ-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000343765193 353979016 /nfs/dbraw/zinc/97/90/16/353979016.db2.gz BKODCMCVBOIVET-YPMHNXCESA-N 1 0 236.359 2.084 20 30 BEEDRO CC1=C[C@H](C)C[C@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000335878983 535250960 /nfs/dbraw/zinc/25/09/60/535250960.db2.gz CYXKAXWUGAQTSL-ZFWWWQNUSA-N 1 0 247.386 2.120 20 30 BEEDRO CCOC(=O)CC(C)(C)[N@H+](C)CCCCC#N ZINC000343876206 354029876 /nfs/dbraw/zinc/02/98/76/354029876.db2.gz UYESOIQLTWJYEO-UHFFFAOYSA-N 1 0 240.347 2.344 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)CC[NH+](C)C ZINC000343879557 354030854 /nfs/dbraw/zinc/03/08/54/354030854.db2.gz NRVWMAWLCGBKMA-DGCLKSJQSA-N 1 0 226.364 2.045 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CCCC#N)C1(C)C ZINC000230405242 363307762 /nfs/dbraw/zinc/30/77/62/363307762.db2.gz ZPHWXQUAQDKFBB-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CCCCN(C)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000343924190 354043815 /nfs/dbraw/zinc/04/38/15/354043815.db2.gz HDFWANIVLHUQSO-MJBXVCDLSA-N 1 0 237.391 2.389 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCSC2)C1 ZINC000336740655 181060109 /nfs/dbraw/zinc/06/01/09/181060109.db2.gz UPTSDYFAPQCUDD-IJLUTSLNSA-N 1 0 224.373 2.411 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COc3ccccc32)C1 ZINC000343938832 354048688 /nfs/dbraw/zinc/04/86/88/354048688.db2.gz QZLWAHFTGAFVHU-UPJWGTAASA-N 1 0 242.322 2.444 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000308880102 181060879 /nfs/dbraw/zinc/06/08/79/181060879.db2.gz PPVNSKSOGCSLKD-PSASIEDQSA-N 1 0 214.259 2.314 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000344066082 354130832 /nfs/dbraw/zinc/13/08/32/354130832.db2.gz PKHFXFFEURKQJS-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000344066084 354130953 /nfs/dbraw/zinc/13/09/53/354130953.db2.gz PKHFXFFEURKQJS-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344027909 354090065 /nfs/dbraw/zinc/09/00/65/354090065.db2.gz KQWKONKHUPHXIQ-OLZOCXBDSA-N 1 0 209.333 2.045 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000334569915 354096562 /nfs/dbraw/zinc/09/65/62/354096562.db2.gz PWPLGLUHJVBJPZ-STQMWFEESA-N 1 0 236.359 2.354 20 30 BEEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCC1(C#N)CCCCC1 ZINC000334561904 354116349 /nfs/dbraw/zinc/11/63/49/354116349.db2.gz GUDOTLDQMJJLNI-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C[N@H+](CCCC#N)CCc1ccccc1O ZINC000344170127 354171618 /nfs/dbraw/zinc/17/16/18/354171618.db2.gz QCWSMUMWTNLJJY-UHFFFAOYSA-N 1 0 218.300 2.170 20 30 BEEDRO C[C@@H]1C[C@@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000344116938 354142782 /nfs/dbraw/zinc/14/27/82/354142782.db2.gz BCUGXPWCZRZECA-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449689570 202001918 /nfs/dbraw/zinc/00/19/18/202001918.db2.gz KCZLLIVIQUWWTJ-UPJWGTAASA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]CCc1cccc(C)c1 ZINC000449696329 202003773 /nfs/dbraw/zinc/00/37/73/202003773.db2.gz HTOKKZROSTXTKO-OAHLLOKOSA-N 1 0 233.355 2.454 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000449698809 202004458 /nfs/dbraw/zinc/00/44/58/202004458.db2.gz OUNIDEYJFAADGP-RDBSUJKOSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000449697042 202004741 /nfs/dbraw/zinc/00/47/41/202004741.db2.gz JUTALVRKKGITBJ-FRRDWIJNSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(CCC)CC[NH+](C)C ZINC000344101410 354158732 /nfs/dbraw/zinc/15/87/32/354158732.db2.gz DFFKNDAMDSABOR-AWEZNQCLSA-N 1 0 240.391 2.389 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449728029 202008660 /nfs/dbraw/zinc/00/86/60/202008660.db2.gz SRRBZHSRHXXURJ-MNOVXSKESA-N 1 0 224.348 2.065 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000449734062 202012139 /nfs/dbraw/zinc/01/21/39/202012139.db2.gz LTHLXFBJRGBSDF-CHWSQXEVSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000449734065 202012220 /nfs/dbraw/zinc/01/22/20/202012220.db2.gz LTHLXFBJRGBSDF-STQMWFEESA-N 1 0 210.365 2.273 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)CCn1cccn1 ZINC000449736864 202014489 /nfs/dbraw/zinc/01/44/89/202014489.db2.gz XAALHQQLJFKANC-GFCCVEGCSA-N 1 0 207.321 2.218 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc2c(c1)nnn2C ZINC000449737685 202015022 /nfs/dbraw/zinc/01/50/22/202015022.db2.gz ZORCVSYDHIFTBT-UHFFFAOYSA-N 1 0 230.315 2.024 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C1CCC1 ZINC000449742048 202016391 /nfs/dbraw/zinc/01/63/91/202016391.db2.gz XRJTZBCSLVOPTK-DMDPSCGWSA-N 1 0 211.349 2.338 20 30 BEEDRO N#Cc1cc(F)c(NC[C@@H]2CCC[NH2+]2)c(F)c1 ZINC000116625500 181087430 /nfs/dbraw/zinc/08/74/30/181087430.db2.gz MQASAAFFUHRXLN-VIFPVBQESA-N 1 0 237.253 2.000 20 30 BEEDRO N#Cc1cc(F)ccc1NCC[C@@H]1CC[NH2+]C1 ZINC000111027650 181088358 /nfs/dbraw/zinc/08/83/58/181088358.db2.gz VGGBMMDNXCEVRE-JTQLQIEISA-N 1 0 233.290 2.109 20 30 BEEDRO C=CCCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000344449095 354260892 /nfs/dbraw/zinc/26/08/92/354260892.db2.gz NWXJHKDBHMKJBJ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(N(C)C)n1 ZINC000344333281 354229350 /nfs/dbraw/zinc/22/93/50/354229350.db2.gz QZDWEMTYIIBKFH-VXGBXAGGSA-N 1 0 248.374 2.233 20 30 BEEDRO C=CCCC[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000344556141 354294576 /nfs/dbraw/zinc/29/45/76/354294576.db2.gz NQCQNHDYAWQNIH-LBPRGKRZSA-N 1 0 237.343 2.228 20 30 BEEDRO CC(C)[NH2+]C1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000334615584 354301407 /nfs/dbraw/zinc/30/14/07/354301407.db2.gz KXGYTTWHOUCXBS-OCCSQVGLSA-N 1 0 235.375 2.141 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)s1 ZINC000370476911 181102543 /nfs/dbraw/zinc/10/25/43/181102543.db2.gz LDLPAZUSEBOXRR-SNVBAGLBSA-N 1 0 248.351 2.088 20 30 BEEDRO C[C@](O)(C[NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000332116793 134004040 /nfs/dbraw/zinc/00/40/40/134004040.db2.gz GOKJFAROLUIDOH-RUXDESIVSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCC[NH+]1CCC(CC(=O)OC)CC1 ZINC000344594085 354321991 /nfs/dbraw/zinc/32/19/91/354321991.db2.gz FOEBJMCDYXWEBH-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2CCOCC2)cc1 ZINC000336785097 181108367 /nfs/dbraw/zinc/10/83/67/181108367.db2.gz BGKQCZOPCMYUTK-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC#N)C1 ZINC000344606917 354324938 /nfs/dbraw/zinc/32/49/38/354324938.db2.gz VETPXWGVZBYEKZ-MGPQQGTHSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CCCC[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000344615120 354326868 /nfs/dbraw/zinc/32/68/68/354326868.db2.gz DFTKRJSOIQJRRT-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO N#Cc1ccc(CNCCC[NH+]2CCCC2)cc1 ZINC000020129042 181108780 /nfs/dbraw/zinc/10/87/80/181108780.db2.gz QQZXTTFYRGSSLP-UHFFFAOYSA-N 1 0 243.354 2.134 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344693400 354335515 /nfs/dbraw/zinc/33/55/15/354335515.db2.gz SGDXYMOCBOIVOF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000219028558 181110233 /nfs/dbraw/zinc/11/02/33/181110233.db2.gz YHYLTPNVVVXEOM-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H](CO)CC2CCC2)cc1 ZINC000279680635 181110243 /nfs/dbraw/zinc/11/02/43/181110243.db2.gz IYHHXWXKDAUMMZ-HNNXBMFYSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H]2CF)cc1 ZINC000293123837 181104041 /nfs/dbraw/zinc/10/40/41/181104041.db2.gz RSBLOGJJUGPSQM-CYBMUJFWSA-N 1 0 218.275 2.492 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(C3CC3)CCOCC2)o1 ZINC000375124596 181106511 /nfs/dbraw/zinc/10/65/11/181106511.db2.gz KREANMCUADYHBJ-UHFFFAOYSA-N 1 0 246.310 2.200 20 30 BEEDRO N#Cc1ccc(NCC[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000110798163 181121526 /nfs/dbraw/zinc/12/15/26/181121526.db2.gz CVIRGURLGQJJNQ-JTQLQIEISA-N 1 0 233.290 2.109 20 30 BEEDRO N#Cc1ccc(NCC[NH+]2CCCCC2)cc1 ZINC000049575314 181121527 /nfs/dbraw/zinc/12/15/27/181121527.db2.gz UNUFUEPIZVLMRL-UHFFFAOYSA-N 1 0 229.327 2.456 20 30 BEEDRO N#CCC1CC[NH+](CCc2cncs2)CC1 ZINC000578040457 366200888 /nfs/dbraw/zinc/20/08/88/366200888.db2.gz ORRDINKCHJEIOU-UHFFFAOYSA-N 1 0 235.356 2.311 20 30 BEEDRO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000044417304 181126363 /nfs/dbraw/zinc/12/63/63/181126363.db2.gz RWIJJAJEYCONHD-ZDUSSCGKSA-N 1 0 227.311 2.207 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1(C)C ZINC000349422501 366192353 /nfs/dbraw/zinc/19/23/53/366192353.db2.gz SCBNWCZBTOTHSG-NJMOYASZSA-N 1 0 236.359 2.328 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000037749328 181138108 /nfs/dbraw/zinc/13/81/08/181138108.db2.gz SHFFFAVMOHCOJH-CQSZACIVSA-N 1 0 230.311 2.217 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000077204530 181138111 /nfs/dbraw/zinc/13/81/11/181138111.db2.gz SDHSFLPLYAHDGX-CABCVRRESA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189973796 181138173 /nfs/dbraw/zinc/13/81/73/181138173.db2.gz NOXYIQDQAKNWPH-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO N#CCCN1CCC[C@@H](c2nccs2)C1 ZINC000334735230 354535978 /nfs/dbraw/zinc/53/59/78/354535978.db2.gz GPLJAVJBEZVVEY-SNVBAGLBSA-N 1 0 221.329 2.236 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000310852367 181137201 /nfs/dbraw/zinc/13/72/01/181137201.db2.gz PUSDKTMUSBDMND-OAHLLOKOSA-N 1 0 242.322 2.313 20 30 BEEDRO N#Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275034532 181145536 /nfs/dbraw/zinc/14/55/36/181145536.db2.gz DBFWMZWRKHODNA-IUODEOHRSA-N 1 0 244.338 2.199 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000335095218 354634058 /nfs/dbraw/zinc/63/40/58/354634058.db2.gz SGAFOXNYTYELKA-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345523969 354672062 /nfs/dbraw/zinc/67/20/62/354672062.db2.gz OQMVTGGOGWIXMX-BETUJISGSA-N 1 0 238.375 2.284 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000123098820 358489353 /nfs/dbraw/zinc/48/93/53/358489353.db2.gz IXUDPUSSFHAJHQ-RYUDHWBXSA-N 1 0 245.322 2.348 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345725184 354744413 /nfs/dbraw/zinc/74/44/13/354744413.db2.gz WZHBYQOURCSNQK-JSGCOSHPSA-N 1 0 238.375 2.319 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000301051028 363395321 /nfs/dbraw/zinc/39/53/21/363395321.db2.gz TVPYFHIGRVVXIJ-QWRGUYRKSA-N 1 0 225.332 2.082 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346319605 354895980 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355163125 /nfs/dbraw/zinc/16/31/25/355163125.db2.gz GPHAWQNHUSJWEL-KGLIPLIRSA-N 1 0 217.312 2.370 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(CCCO)CC1 ZINC000346939330 355158139 /nfs/dbraw/zinc/15/81/39/355158139.db2.gz HWXPDCYSGHDXKB-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](CCC)OC ZINC000639233059 355214337 /nfs/dbraw/zinc/21/43/37/355214337.db2.gz UUSYWKDERHGLAW-XQQFMLRXSA-N 1 0 227.348 2.125 20 30 BEEDRO CC1(C)CCC[NH2+][C@H]1CNc1ccc(C#N)cn1 ZINC000232988452 355216592 /nfs/dbraw/zinc/21/65/92/355216592.db2.gz IQRFDUGHUZVPAG-LBPRGKRZSA-N 1 0 244.342 2.143 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000352007190 134035390 /nfs/dbraw/zinc/03/53/90/134035390.db2.gz LKPJRDPBKGBXAF-QWRGUYRKSA-N 1 0 233.302 2.291 20 30 BEEDRO CC[C@H](C[N@H+](CCC#N)CC1CC1)OC ZINC000412976641 191347085 /nfs/dbraw/zinc/34/70/85/191347085.db2.gz JROQTZSPHHPAHH-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(C)CCNc1cc(NC2CC2)ncn1 ZINC000413316681 191371437 /nfs/dbraw/zinc/37/14/37/191371437.db2.gz PZGDFLVUTVYSNQ-UHFFFAOYSA-N 1 0 218.304 2.429 20 30 BEEDRO C[N@H+](CCCCNc1cccc(C#N)n1)C1CC1 ZINC000413344047 191373863 /nfs/dbraw/zinc/37/38/63/191373863.db2.gz CEFOXBHLILBVHF-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000008696995 355327838 /nfs/dbraw/zinc/32/78/38/355327838.db2.gz BGBSCMAWTHCLJG-OAHLLOKOSA-N 1 0 231.339 2.372 20 30 BEEDRO C=CCC1(C[NH2+]Cc2ncnn2C)CCCC1 ZINC000639253314 355287787 /nfs/dbraw/zinc/28/77/87/355287787.db2.gz SOFFORNIEQZXBN-UHFFFAOYSA-N 1 0 234.347 2.041 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CCC)C(C)(C)C ZINC000414163540 191463136 /nfs/dbraw/zinc/46/31/36/191463136.db2.gz GFTUFJDTOFUCSA-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO CC(C)[C@H](Cn1cccn1)[NH2+]CC(C)(C)CC#N ZINC000414166056 191464292 /nfs/dbraw/zinc/46/42/92/191464292.db2.gz NAXNLZUMSSIOLP-ZDUSSCGKSA-N 1 0 248.374 2.437 20 30 BEEDRO COC1([C@H](C)[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000414312841 191488136 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355539194 /nfs/dbraw/zinc/53/91/94/355539194.db2.gz AGOMHGIFVCDABO-CQSZACIVSA-N 1 0 248.370 2.038 20 30 BEEDRO CC[N@H+](CCOC)CC(C)(C)CCC#N ZINC000349862091 355511170 /nfs/dbraw/zinc/51/11/70/355511170.db2.gz SVESISREJCYTRH-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@H](O)CCOC(C)C ZINC000349873362 355513843 /nfs/dbraw/zinc/51/38/43/355513843.db2.gz ABITZOWAGMEAER-CYBMUJFWSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)CCOC(C)C ZINC000349883917 355518413 /nfs/dbraw/zinc/51/84/13/355518413.db2.gz PMNBXBMXJUTGSA-ZDUSSCGKSA-N 1 0 229.364 2.060 20 30 BEEDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(C#N)n1 ZINC000267525670 355523927 /nfs/dbraw/zinc/52/39/27/355523927.db2.gz NXSCPWOFLLUYSE-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000335836293 355563759 /nfs/dbraw/zinc/56/37/59/355563759.db2.gz IOVMMBUZDJFCDW-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[N@@H+](Cc1cnc2n[nH]c(C)c2c1)C1CC1 ZINC000350223167 355650702 /nfs/dbraw/zinc/65/07/02/355650702.db2.gz LAKRQVQUHXJBRI-UHFFFAOYSA-N 1 0 242.326 2.417 20 30 BEEDRO C=CCC[NH2+]C[C@H](Cc1ccccc1)OC ZINC000639307186 355662346 /nfs/dbraw/zinc/66/23/46/355662346.db2.gz QCZBKTGFBRHMMD-AWEZNQCLSA-N 1 0 219.328 2.410 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(CC#N)cc2)CCO1 ZINC000399125863 355748653 /nfs/dbraw/zinc/74/86/53/355748653.db2.gz KBTLTCDMETVMOE-IUODEOHRSA-N 1 0 244.338 2.410 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CCO1 ZINC000399125869 355748915 /nfs/dbraw/zinc/74/89/15/355748915.db2.gz KBTLTCDMETVMOE-WFASDCNBSA-N 1 0 244.338 2.410 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000417377422 191806387 /nfs/dbraw/zinc/80/63/87/191806387.db2.gz DFCAZXSFONFPRD-MNOVXSKESA-N 1 0 232.318 2.270 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425358652 191824079 /nfs/dbraw/zinc/82/40/79/191824079.db2.gz UEPMEFUFSIXRBZ-UKKRHICBSA-N 1 0 210.346 2.020 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CC[C@@H]1SC ZINC000425340308 191812721 /nfs/dbraw/zinc/81/27/21/191812721.db2.gz DUWCDCVWRWJUNE-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCC(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000106035209 355768625 /nfs/dbraw/zinc/76/86/25/355768625.db2.gz DMAAZSHRCSVVAC-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000166707297 355823410 /nfs/dbraw/zinc/82/34/10/355823410.db2.gz KVWBFLAKIBRBIX-NWDGAFQWSA-N 1 0 215.296 2.164 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]Cc1cnn[nH]1 ZINC000628363685 355848099 /nfs/dbraw/zinc/84/80/99/355848099.db2.gz UERPEMWLMTXQMA-JTQLQIEISA-N 1 0 208.309 2.029 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1ccc(C#N)cc1 ZINC000336028625 134057736 /nfs/dbraw/zinc/05/77/36/134057736.db2.gz OKMLJGYAGUFZDZ-STQMWFEESA-N 1 0 243.354 2.083 20 30 BEEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000345694247 355928075 /nfs/dbraw/zinc/92/80/75/355928075.db2.gz QKXUULJHGQTSDV-TVYUQYBPSA-N 1 0 248.326 2.300 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@]1(OC)CCOC1 ZINC000639382378 355929020 /nfs/dbraw/zinc/92/90/20/355929020.db2.gz XOHSDJKHABCUKV-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCCc2nc(C)sc21 ZINC000111313250 355878777 /nfs/dbraw/zinc/87/87/77/355878777.db2.gz CVDYGYZQRJLHET-LLVKDONJSA-N 1 0 220.341 2.394 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)c(F)c1 ZINC000191965172 355947464 /nfs/dbraw/zinc/94/74/64/355947464.db2.gz DTEMNDZJGWZSKY-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO CN(CCC#N)Cc1ccc(C#N)c(F)c1 ZINC000192063024 355952259 /nfs/dbraw/zinc/95/22/59/355952259.db2.gz IGAPGKMSLLZDCP-UHFFFAOYSA-N 1 0 217.247 2.043 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000192180721 355954933 /nfs/dbraw/zinc/95/49/33/355954933.db2.gz CCHANBFIIAQUEQ-HZMBPMFUSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@@H]1CCCO1 ZINC000192180726 355955052 /nfs/dbraw/zinc/95/50/52/355955052.db2.gz CCHANBFIIAQUEQ-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](CCCCC#N)CCO1 ZINC000351208231 355961750 /nfs/dbraw/zinc/96/17/50/355961750.db2.gz WPWZKAUTTZZNEB-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cccc(C)n1 ZINC000351222308 355962660 /nfs/dbraw/zinc/96/26/60/355962660.db2.gz HIPSIXOBJXTWQW-CQSZACIVSA-N 1 0 234.343 2.149 20 30 BEEDRO CCC[N@H+](C)C[C@@H]1CCN([C@@H](C)CCC#N)C1 ZINC000351224325 355963954 /nfs/dbraw/zinc/96/39/54/355963954.db2.gz KDAQAFSNGHCOBC-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C[C@@H](C)OC)C(C)C ZINC000351273178 355970978 /nfs/dbraw/zinc/97/09/78/355970978.db2.gz VTBJCRCDLHZXRT-OLZOCXBDSA-N 1 0 229.364 2.059 20 30 BEEDRO C=C(CC)C[N@H+](CCO)[C@@H]1CC[C@@H](C)C1 ZINC000351646651 356043464 /nfs/dbraw/zinc/04/34/64/356043464.db2.gz HHKLMYLVTNUJSB-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000351597143 356017958 /nfs/dbraw/zinc/01/79/58/356017958.db2.gz UEXMGFBKFQBTRE-RBSFLKMASA-N 1 0 231.339 2.317 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(CC)CC1 ZINC000351595414 356025993 /nfs/dbraw/zinc/02/59/93/356025993.db2.gz KMYNAJVHNWKVRM-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)C[C@H]1CCCCO1 ZINC000351611102 356027126 /nfs/dbraw/zinc/02/71/26/356027126.db2.gz YQCMJVLSFANRBE-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418153377 191990654 /nfs/dbraw/zinc/99/06/54/191990654.db2.gz WFFAFILNMOOTFJ-NWDGAFQWSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418147742 191990828 /nfs/dbraw/zinc/99/08/28/191990828.db2.gz MMVLPAQNHOFSGK-VXGBXAGGSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)NCC([NH3+])(CC)CC ZINC000418149633 191990930 /nfs/dbraw/zinc/99/09/30/191990930.db2.gz PQDAGIIGWLDBGR-LLVKDONJSA-N 1 0 241.379 2.158 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000351738568 356076635 /nfs/dbraw/zinc/07/66/35/356076635.db2.gz XILIYZWKRCDARB-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC(C)(C)CNC(=O)N[C@@H](C[NH3+])CCCC ZINC000418255653 192005480 /nfs/dbraw/zinc/00/54/80/192005480.db2.gz RZIZFMGJVHRLBJ-LLVKDONJSA-N 1 0 241.379 2.015 20 30 BEEDRO N#CC1(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCC1 ZINC000329844069 356129872 /nfs/dbraw/zinc/12/98/72/356129872.db2.gz OIIHMDYNIVUPNJ-GFCCVEGCSA-N 1 0 247.342 2.264 20 30 BEEDRO C=CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000617617511 356194250 /nfs/dbraw/zinc/19/42/50/356194250.db2.gz JJDADTQQSUBYEB-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC000639484022 356299933 /nfs/dbraw/zinc/29/99/33/356299933.db2.gz YDBMUEMFIKQLLR-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO Cc1ccnc(NC[C@H]2CCC[C@H]([NH3+])C2)c1C#N ZINC000420275806 192198833 /nfs/dbraw/zinc/19/88/33/192198833.db2.gz GWIDRQRRVHARLT-RYUDHWBXSA-N 1 0 244.342 2.191 20 30 BEEDRO Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)cc(C#N)n1 ZINC000420284352 192199257 /nfs/dbraw/zinc/19/92/57/192199257.db2.gz OOCMCHOTUZMIKU-RYUDHWBXSA-N 1 0 244.342 2.191 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617759661 356316151 /nfs/dbraw/zinc/31/61/51/356316151.db2.gz LGHJWRRGWXURBZ-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420293432 192203415 /nfs/dbraw/zinc/20/34/15/192203415.db2.gz XWYVGBRFHNRSNH-AAEUAGOBSA-N 1 0 244.342 2.191 20 30 BEEDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NCc1ccc(C#N)cc1 ZINC000420355250 192220418 /nfs/dbraw/zinc/22/04/18/192220418.db2.gz BXIMLNDMDRWDRM-TYNCELHUSA-N 1 0 243.354 2.034 20 30 BEEDRO C=CCCN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420395256 192236486 /nfs/dbraw/zinc/23/64/86/192236486.db2.gz SSWDAAUNJFUKPV-UONOGXRCSA-N 1 0 234.318 2.128 20 30 BEEDRO CC(=O)CN1CC=C(c2ccc(C#N)cc2)CC1 ZINC000639554365 356456224 /nfs/dbraw/zinc/45/62/24/356456224.db2.gz LSKCBYQRVRVAIE-UHFFFAOYSA-N 1 0 240.306 2.236 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)c2nccn21 ZINC000333462041 134109413 /nfs/dbraw/zinc/10/94/13/134109413.db2.gz GQMUTXVVJRPMEX-WRWGMCAJSA-N 1 0 230.315 2.171 20 30 BEEDRO C[C@@H](CC[NH+](C)C)NCc1ccc(C#N)cc1F ZINC000049557703 356482147 /nfs/dbraw/zinc/48/21/47/356482147.db2.gz VKYRQXODQVDYNK-NSHDSACASA-N 1 0 249.333 2.127 20 30 BEEDRO N#Cc1ccc(Cn2ccnc2)c(OC(F)F)c1 ZINC000346621074 356491648 /nfs/dbraw/zinc/49/16/48/356491648.db2.gz PETXLNSFKQUSLY-UHFFFAOYSA-N 1 0 249.220 2.404 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@@H](CC)O[C@@H](CC)C1 ZINC000420949601 192275566 /nfs/dbraw/zinc/27/55/66/192275566.db2.gz FNWKTXVYMMSMEV-OKILXGFUSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420937807 192288538 /nfs/dbraw/zinc/28/85/38/192288538.db2.gz MABSXQQDXYJDEK-STQMWFEESA-N 1 0 241.375 2.203 20 30 BEEDRO CC1(C)CCCN1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449779316 202032354 /nfs/dbraw/zinc/03/23/54/202032354.db2.gz DASPLDGRYSCZBS-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421007249 192297603 /nfs/dbraw/zinc/29/76/03/192297603.db2.gz CFNXTKMZWWUPHK-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CC)C(=O)NC ZINC000449780764 202035039 /nfs/dbraw/zinc/03/50/39/202035039.db2.gz VOUMQAWCMAUGDR-NEPJUHHUSA-N 1 0 226.364 2.236 20 30 BEEDRO CC1(C)CCC[N@@H+]1CCNCc1ccc(C#N)o1 ZINC000449780235 202031767 /nfs/dbraw/zinc/03/17/67/202031767.db2.gz FVVWZFWOQQSKPP-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO Cc1cc(C[N@H+]2C[C@H](O)CC[C@H]2C)ccc1C#N ZINC000421020979 192305430 /nfs/dbraw/zinc/30/54/30/192305430.db2.gz NUEPLZMPQJPZJN-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000179785197 366306581 /nfs/dbraw/zinc/30/65/81/366306581.db2.gz GLMOXIGZTMOGMI-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@@]23CCOC3)ccc1C#N ZINC000421030666 192309579 /nfs/dbraw/zinc/30/95/79/192309579.db2.gz YZGGHPHABFAPRG-HNNXBMFYSA-N 1 0 242.322 2.232 20 30 BEEDRO C=CC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421035040 192311650 /nfs/dbraw/zinc/31/16/50/192311650.db2.gz YYWYXGXATGDBPH-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421340951 192319070 /nfs/dbraw/zinc/31/90/70/192319070.db2.gz JFXJVWZJCDGJSY-YWVDXFKGSA-N 1 0 248.301 2.114 20 30 BEEDRO N#CC1(C[N@@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000336291869 134142102 /nfs/dbraw/zinc/14/21/02/134142102.db2.gz ZOVFWXZWKRDNFS-LLVKDONJSA-N 1 0 222.357 2.118 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639690184 356599954 /nfs/dbraw/zinc/59/99/54/356599954.db2.gz CJZQOHAPWPWDRK-CABCVRRESA-N 1 0 246.354 2.198 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+](C)CCCC ZINC000352367478 134141798 /nfs/dbraw/zinc/14/17/98/134141798.db2.gz PCFGBBUOLPCODD-AWEZNQCLSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000639694578 356603445 /nfs/dbraw/zinc/60/34/45/356603445.db2.gz YQTONVQHOPFTSZ-CYBMUJFWSA-N 1 0 202.301 2.447 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](CC)O[C@@]2(CCOC2)C1 ZINC000352413644 134144140 /nfs/dbraw/zinc/14/41/40/134144140.db2.gz PZSGYCGMABUZST-KBPBESRZSA-N 1 0 239.359 2.223 20 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2.485 20 30 BEEDRO CCN(CC#N)C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450339484 202132906 /nfs/dbraw/zinc/13/29/06/202132906.db2.gz QXEVGAUNOOIHIC-CYBMUJFWSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020084894 134155054 /nfs/dbraw/zinc/15/50/54/134155054.db2.gz JXUDXGMUHFQRNK-SECBINFHSA-N 1 0 206.245 2.431 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cccs2)C1 ZINC000104153922 134159208 /nfs/dbraw/zinc/15/92/08/134159208.db2.gz HTLGFOZHOYMYDA-SNVBAGLBSA-N 1 0 237.372 2.295 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OC)cc1OC ZINC000168233378 134160567 /nfs/dbraw/zinc/16/05/67/134160567.db2.gz FOUPXOHOZMHXDK-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO N#Cc1cc(Cl)ccc1NC[C@H]([NH3+])C1CC1 ZINC000168235809 134160868 /nfs/dbraw/zinc/16/08/68/134160868.db2.gz NMIBKYJJUKGFEL-NSHDSACASA-N 1 0 235.718 2.361 20 30 BEEDRO C=C(C)C[NH+]1CCC(Nc2cncc(C)n2)CC1 ZINC000302232055 134157923 /nfs/dbraw/zinc/15/79/23/134157923.db2.gz SIQLFLFKTAWJIX-UHFFFAOYSA-N 1 0 246.358 2.237 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](COC(F)F)C1 ZINC000353017517 134158837 /nfs/dbraw/zinc/15/88/37/134158837.db2.gz CRADNIYOLKPOIO-SECBINFHSA-N 1 0 205.248 2.124 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000352995482 134158914 /nfs/dbraw/zinc/15/89/14/134158914.db2.gz BSMLNHCPPGCEPO-VXGBXAGGSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@@H]1CCC(=O)NC ZINC000353163172 134162348 /nfs/dbraw/zinc/16/23/48/134162348.db2.gz BORRBGCKRQWHMO-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@@H]1COCC ZINC000354408891 134168225 /nfs/dbraw/zinc/16/82/25/134168225.db2.gz CIZXPWQADUMORK-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CCC[C@H]1COCC ZINC000354408888 134168281 /nfs/dbraw/zinc/16/82/81/134168281.db2.gz CIZXPWQADUMORK-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@H]1COCCO1 ZINC000450429109 202164361 /nfs/dbraw/zinc/16/43/61/202164361.db2.gz KHXHRVQPSLQPDW-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OCCOC)cc1 ZINC000354179763 134167153 /nfs/dbraw/zinc/16/71/53/134167153.db2.gz PDJXTUYWCBUHSO-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO C=C(C)C[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639793891 356748090 /nfs/dbraw/zinc/74/80/90/356748090.db2.gz OEPPVHBVLADZIK-UHFFFAOYSA-N 1 0 217.316 2.085 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@H]2CCc3ncnn32)C1 ZINC000639798927 356760116 /nfs/dbraw/zinc/76/01/16/356760116.db2.gz ROQHGWWFNLROGV-CHWSQXEVSA-N 1 0 246.358 2.054 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)CC[C@H](C)O ZINC000450462758 202172403 /nfs/dbraw/zinc/17/24/03/202172403.db2.gz IYZYEBUYJDSIFX-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639817023 356796667 /nfs/dbraw/zinc/79/66/67/356796667.db2.gz IYJWVYLEEXVYPX-ZDUSSCGKSA-N 1 0 234.347 2.271 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](N(C)C)C1 ZINC000639808339 356781521 /nfs/dbraw/zinc/78/15/21/356781521.db2.gz ZPVBKFHGWLNKDJ-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CSC1(C[N@H+](C)C[C@H](C)C#N)CCC1 ZINC000356093576 134176997 /nfs/dbraw/zinc/17/69/97/134176997.db2.gz VKHGZJVMZWPLIP-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[N@@H+](C)CCCC)C1 ZINC000631254964 356858156 /nfs/dbraw/zinc/85/81/56/356858156.db2.gz BPGPBKUGDXJTNL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1sccc1Cl ZINC000193208842 356896846 /nfs/dbraw/zinc/89/68/46/356896846.db2.gz MGFVHMJSJZBUGH-MRVPVSSYSA-N 1 0 231.748 2.428 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCc2occc21 ZINC000193284849 356899569 /nfs/dbraw/zinc/89/95/69/356899569.db2.gz GOVSZVGEINLRRE-PWSUYJOCSA-N 1 0 221.300 2.184 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC1 ZINC000389854137 357055093 /nfs/dbraw/zinc/05/50/93/357055093.db2.gz ACPUTJANNWLDRY-RYUDHWBXSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000358238182 134187355 /nfs/dbraw/zinc/18/73/55/134187355.db2.gz MIVTZOFJRFMLRG-YNEHKIRRSA-N 1 0 238.375 2.236 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2cccnc2C#N)C1 ZINC000129968908 357089085 /nfs/dbraw/zinc/08/90/85/357089085.db2.gz MJJHEOUFWJTYBJ-GFCCVEGCSA-N 1 0 244.342 2.095 20 30 BEEDRO C=CCCCC[N@H+]1CC[S@@](=O)CC[C@H]1C ZINC000582401296 357132204 /nfs/dbraw/zinc/13/22/04/357132204.db2.gz IVAPYZBVMXMTGD-DOMZBBRYSA-N 1 0 229.389 2.186 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CCCCC#N ZINC000582415313 357141061 /nfs/dbraw/zinc/14/10/61/357141061.db2.gz NHTHMIZPDRTRFW-DZGCQCFKSA-N 1 0 246.354 2.434 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nccnc2C)C1 ZINC000628406119 357200774 /nfs/dbraw/zinc/20/07/74/357200774.db2.gz CGOHFJYGMRCERA-LBPRGKRZSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(COC)on2)C1 ZINC000628406819 357200788 /nfs/dbraw/zinc/20/07/88/357200788.db2.gz RLWYDIMEYPDZQL-NSHDSACASA-N 1 0 236.315 2.219 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c(Cl)cnn2C)C1 ZINC000628406266 357201530 /nfs/dbraw/zinc/20/15/30/357201530.db2.gz FWTVHDMTUOOBCL-JTQLQIEISA-N 1 0 239.750 2.472 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(C)nc2CC)C1 ZINC000628406544 357201786 /nfs/dbraw/zinc/20/17/86/357201786.db2.gz LRFWUPWXRBGIHG-GFCCVEGCSA-N 1 0 233.359 2.381 20 30 BEEDRO COCC1(C)CC[NH+](CCCCC#N)CC1 ZINC000358756844 134192450 /nfs/dbraw/zinc/19/24/50/134192450.db2.gz YJLKVDAAUMALGM-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)COc1ccccc1 ZINC000393827632 357302001 /nfs/dbraw/zinc/30/20/01/357302001.db2.gz GXQNWIAYKBDWQS-KBPBESRZSA-N 1 0 249.354 2.371 20 30 BEEDRO CC[NH+](CC)[C@@H](CNCCC#N)CC(C)C ZINC000582542492 357341648 /nfs/dbraw/zinc/34/16/48/357341648.db2.gz YDDPDZRJNSUEKT-CYBMUJFWSA-N 1 0 225.380 2.246 20 30 BEEDRO CC#CCC[N@H+](C)CCc1ccccc1O ZINC000360629167 134201585 /nfs/dbraw/zinc/20/15/85/134201585.db2.gz RAWXZIFGBBDVRG-UHFFFAOYSA-N 1 0 217.312 2.280 20 30 BEEDRO CC(C)(C)OCC[NH+]1CCC(CC#N)CC1 ZINC000397214290 357506781 /nfs/dbraw/zinc/50/67/81/357506781.db2.gz BVKBCHWWFRBFGA-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H](C)[C@@H](C)OC)CC1 ZINC000361218056 134203947 /nfs/dbraw/zinc/20/39/47/134203947.db2.gz VSIPQJWJIKGKKS-CHWSQXEVSA-N 1 0 240.391 2.040 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1cnccc1C ZINC000361412461 134204824 /nfs/dbraw/zinc/20/48/24/134204824.db2.gz JJQXOSJENCOIIS-CQSZACIVSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cnccc1C ZINC000361412460 134205112 /nfs/dbraw/zinc/20/51/12/134205112.db2.gz JJQXOSJENCOIIS-AWEZNQCLSA-N 1 0 234.343 2.149 20 30 BEEDRO CCCCN(C)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000361460550 134205303 /nfs/dbraw/zinc/20/53/03/134205303.db2.gz ZEGUVULCVPCVGJ-ZIAGYGMSSA-N 1 0 237.391 2.390 20 30 BEEDRO CCCCN(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000361460549 134205496 /nfs/dbraw/zinc/20/54/96/134205496.db2.gz ZEGUVULCVPCVGJ-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000362147262 134208931 /nfs/dbraw/zinc/20/89/31/134208931.db2.gz PTEBOHBDOBQEIB-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000362302513 134209564 /nfs/dbraw/zinc/20/95/64/134209564.db2.gz YEKXNOLNBKEJAW-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000362300267 538875863 /nfs/dbraw/zinc/87/58/63/538875863.db2.gz LANATRIKUINWHK-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1scnc1C ZINC000189424026 357640418 /nfs/dbraw/zinc/64/04/18/357640418.db2.gz CJBWEXBIHRVZEC-UHFFFAOYSA-N 1 0 240.372 2.128 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(OC)c1 ZINC000321286522 259471999 /nfs/dbraw/zinc/47/19/99/259471999.db2.gz GVFHDKCYVBVZIM-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO CCC1([NH2+]Cc2cc(C#N)n(C)c2)CCC1 ZINC000189598150 357644971 /nfs/dbraw/zinc/64/49/71/357644971.db2.gz PHYVGJRWNVNSQM-UHFFFAOYSA-N 1 0 217.316 2.319 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H]1CO ZINC000232528856 357664796 /nfs/dbraw/zinc/66/47/96/357664796.db2.gz CDLRROSHSMXCTP-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000190526400 357713716 /nfs/dbraw/zinc/71/37/16/357713716.db2.gz VIATWTHPWDEIEW-MOENNCHZSA-N 1 0 238.331 2.000 20 30 BEEDRO C=CCC1(C(=O)NCC[NH+](CC)CC)CCC1 ZINC000190209105 357693029 /nfs/dbraw/zinc/69/30/29/357693029.db2.gz IGOZZJCJHRCMHV-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000363168785 134215245 /nfs/dbraw/zinc/21/52/45/134215245.db2.gz FAVSAKGCYCPRPQ-AWEZNQCLSA-N 1 0 215.296 2.163 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CCC1CC(F)(F)C1 ZINC000583257816 357735928 /nfs/dbraw/zinc/73/59/28/357735928.db2.gz BJYWFASYVLAEEH-LLVKDONJSA-N 1 0 241.285 2.455 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cc(C#N)n(C)c1 ZINC000191161663 357738615 /nfs/dbraw/zinc/73/86/15/357738615.db2.gz JFKJLDISODSAJD-UHFFFAOYSA-N 1 0 215.300 2.071 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)CC1CCCC1 ZINC000191071624 357746390 /nfs/dbraw/zinc/74/63/90/357746390.db2.gz SKHLVOGZMKFPLP-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO CCCCCCC[N@@H+]1CCCN(C)C(=O)C1 ZINC000191107194 357751024 /nfs/dbraw/zinc/75/10/24/357751024.db2.gz DKIYVSVNDCRFCJ-UHFFFAOYSA-N 1 0 226.364 2.121 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](O)CC1CCCC1 ZINC000191122969 357751418 /nfs/dbraw/zinc/75/14/18/357751418.db2.gz ACXHRMGNXLABLZ-AWEZNQCLSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(C)nc1C ZINC000191122836 357752071 /nfs/dbraw/zinc/75/20/71/357752071.db2.gz QNMVBEUFHQWXKU-UHFFFAOYSA-N 1 0 234.343 2.333 20 30 BEEDRO Cn1cc(C[N@H+](C)CC2CCC2)cc1C#N ZINC000191153562 357754970 /nfs/dbraw/zinc/75/49/70/357754970.db2.gz LHPJMNZCUNPVTH-UHFFFAOYSA-N 1 0 217.316 2.129 20 30 BEEDRO COC[C@H]1CCCC[N@H+](CCCC#N)C1 ZINC000368656161 134219918 /nfs/dbraw/zinc/21/99/18/134219918.db2.gz UFPAIDUPJWTXOV-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@@H]1COCCN1CC#Cc1ccccc1 ZINC000192028528 357814077 /nfs/dbraw/zinc/81/40/77/357814077.db2.gz BYCPSPWKSDAEEN-OAHLLOKOSA-N 1 0 229.323 2.149 20 30 BEEDRO C[N@H+](CCCCC(C)(C)C#N)CC(C)(C)O 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ZINC000120529728 134229991 /nfs/dbraw/zinc/22/99/91/134229991.db2.gz WIZTXGZJSNEZJN-VIFPVBQESA-N 1 0 220.320 2.008 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]CC#Cc1ccccc1 ZINC000235637843 357926505 /nfs/dbraw/zinc/92/65/05/357926505.db2.gz DCUAENYUQSNTLW-HIFRSBDPSA-N 1 0 229.323 2.195 20 30 BEEDRO N#CCc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000399120520 357896801 /nfs/dbraw/zinc/89/68/01/357896801.db2.gz HXNBTWPFTYSWKO-OAHLLOKOSA-N 1 0 244.338 2.269 20 30 BEEDRO CC(C)(O)CC[NH+]1CCC(CCC#N)CC1 ZINC000399358276 357903985 /nfs/dbraw/zinc/90/39/85/357903985.db2.gz PFRGXRGVEHXVNE-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](O)CCC[NH+]1CCC(CCC#N)CC1 ZINC000399373063 357904909 /nfs/dbraw/zinc/90/49/09/357904909.db2.gz WEPKYLIHEAMNQF-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO CSCC[NH+]1CCC(CCC#N)CC1 ZINC000399423546 357906135 /nfs/dbraw/zinc/90/61/35/357906135.db2.gz LCFDUCHOXHVIPS-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO CC#CC[N@@H+](C)[C@H]1C[C@H](OCC)C12CCC2 ZINC000120827698 134230568 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ZINC000631668898 358113829 /nfs/dbraw/zinc/11/38/29/358113829.db2.gz BYQYSSIJOHTISV-KGYLQXTDSA-N 1 0 209.333 2.092 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248883859 358116673 /nfs/dbraw/zinc/11/66/73/358116673.db2.gz LNEKSWZJJNWXNT-MRVWCRGKSA-N 1 0 238.375 2.455 20 30 BEEDRO CC1(C)CCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610813800 358189878 /nfs/dbraw/zinc/18/98/78/358189878.db2.gz UDORJSCNEKYZOE-ZDUSSCGKSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCOCC[NH2+]CC1(O)CCC(C)CC1 ZINC000564321068 325356442 /nfs/dbraw/zinc/35/64/42/325356442.db2.gz DOLYOXFTTSUJSI-UHFFFAOYSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@H]1CCC[C@H](C)C1[NH2+]C1CCN(CC#N)CC1 ZINC000610813674 358189741 /nfs/dbraw/zinc/18/97/41/358189741.db2.gz PBRYMUGOJGTKPJ-STQMWFEESA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000640096185 358191796 /nfs/dbraw/zinc/19/17/96/358191796.db2.gz FOKUBOAPHAPPPK-AGIUHOORSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCN(C)C[C@H]1CCCC[N@H+]1C(C)C ZINC000450759024 202258675 /nfs/dbraw/zinc/25/86/75/202258675.db2.gz JYXFXLGNMVOSBR-CYBMUJFWSA-N 1 0 210.365 2.367 20 30 BEEDRO Cc1ncsc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449468179 491128356 /nfs/dbraw/zinc/12/83/56/491128356.db2.gz OHWRXRUSCLTZRH-MNOVXSKESA-N 1 0 235.356 2.276 20 30 BEEDRO CC#CCC[NH2+]Cc1ccc(OC)cc1F ZINC000228601751 358381384 /nfs/dbraw/zinc/38/13/84/358381384.db2.gz IZJMRKLZBMQBFO-UHFFFAOYSA-N 1 0 221.275 2.337 20 30 BEEDRO CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000104712947 358395933 /nfs/dbraw/zinc/39/59/33/358395933.db2.gz SMAMCTDXFIEAOQ-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCC12CCOCC2 ZINC000310272241 358443832 /nfs/dbraw/zinc/44/38/32/358443832.db2.gz QXQOSCGKSCRULC-CYBMUJFWSA-N 1 0 239.359 2.128 20 30 BEEDRO CC#CCC[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000310408607 358444316 /nfs/dbraw/zinc/44/43/16/358444316.db2.gz LJEBCWSQNOHOQW-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000613661594 363610197 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ZINC000247458869 359222446 /nfs/dbraw/zinc/22/24/46/359222446.db2.gz IEFBNCIQIKUHRA-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000611387897 359358012 /nfs/dbraw/zinc/35/80/12/359358012.db2.gz HOTZPQYMDTYHLJ-BXUZGUMPSA-N 1 0 230.311 2.146 20 30 BEEDRO C[C@@H](CCO)[NH2+][C@H]1CCCc2cc(C#N)ccc21 ZINC000611393235 359359007 /nfs/dbraw/zinc/35/90/07/359359007.db2.gz QLENUHLRPGPSEH-NHYWBVRUSA-N 1 0 244.338 2.296 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000611433256 359364871 /nfs/dbraw/zinc/36/48/71/359364871.db2.gz WCBCJQCTRXPFSQ-KGLIPLIRSA-N 1 0 248.370 2.429 20 30 BEEDRO C[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc(C#N)c1 ZINC000611438870 359371151 /nfs/dbraw/zinc/37/11/51/359371151.db2.gz XQQRBNUHWOVMMV-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000284926130 359319939 /nfs/dbraw/zinc/31/99/39/359319939.db2.gz DHPYHSWMCDOSEN-NSHDSACASA-N 1 0 227.739 2.250 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cc(C)ncn1 ZINC000308895017 491139892 /nfs/dbraw/zinc/13/98/92/491139892.db2.gz YZZKVLMQELFWGQ-JTQLQIEISA-N 1 0 205.305 2.229 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000308919279 491140268 /nfs/dbraw/zinc/14/02/68/491140268.db2.gz GQVZIIRPOSMNHX-RWMBFGLXSA-N 1 0 209.333 2.051 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(C(=O)OC)oc1C ZINC000611501113 359383202 /nfs/dbraw/zinc/38/32/02/359383202.db2.gz KSSMVACMLADBRU-UHFFFAOYSA-N 1 0 237.299 2.383 20 30 BEEDRO N#Cc1ccc(OCC[N@H+]2CC=CCC2)cc1 ZINC000611517603 359387575 /nfs/dbraw/zinc/38/75/75/359387575.db2.gz WSDQVIICUOTFRZ-UHFFFAOYSA-N 1 0 228.295 2.199 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000308914890 491140151 /nfs/dbraw/zinc/14/01/51/491140151.db2.gz FOSUVJURQJRAMQ-NXEZZACHSA-N 1 0 206.289 2.315 20 30 BEEDRO C[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@H]1C ZINC000611587365 359399440 /nfs/dbraw/zinc/39/94/40/359399440.db2.gz AXTWSPBWUURCHW-VNHYZAJKSA-N 1 0 249.402 2.389 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)n1 ZINC000403315308 359468472 /nfs/dbraw/zinc/46/84/72/359468472.db2.gz DCKBULJKNDAIKT-OPRDCNLKSA-N 1 0 233.340 2.293 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)CC(C)(C)C ZINC000308957184 491140968 /nfs/dbraw/zinc/14/09/68/491140968.db2.gz QWKCYUOTVJTCBA-UHFFFAOYSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)C1CC1 ZINC000580444505 359554047 /nfs/dbraw/zinc/55/40/47/359554047.db2.gz LWYWLXIYYSFYPF-WXHSDQCUSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCCC(=O)N1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000424079348 192860860 /nfs/dbraw/zinc/86/08/60/192860860.db2.gz UGAMZXBUSAOLNC-XQQFMLRXSA-N 1 0 238.375 2.175 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000309026820 491142534 /nfs/dbraw/zinc/14/25/34/491142534.db2.gz BCHWDQCVESIXSQ-STQMWFEESA-N 1 0 211.349 2.439 20 30 BEEDRO C[C@]1(C#N)CCCN(CC[NH+]2CCCCC2)C1 ZINC000612167332 359717273 /nfs/dbraw/zinc/71/72/73/359717273.db2.gz LZTMNPBFCILQNS-CQSZACIVSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@@]1(C#N)CCCN(C[C@H]2CCCCO2)C1 ZINC000612162044 359712311 /nfs/dbraw/zinc/71/23/11/359712311.db2.gz JMLYSSBAAQYSCP-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@]1(C#N)CCCN(CCc2ccccn2)C1 ZINC000612164073 359715784 /nfs/dbraw/zinc/71/57/84/359715784.db2.gz YABXHSGTZPFARX-AWEZNQCLSA-N 1 0 229.327 2.250 20 30 BEEDRO N#CC1(C[NH+]2CCC([C@@H]3CCOC3)CC2)CC1 ZINC000612133122 359698038 /nfs/dbraw/zinc/69/80/38/359698038.db2.gz XSJDJOYKDGGPOC-CYBMUJFWSA-N 1 0 234.343 2.039 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@](C)(C#N)C1 ZINC000612164443 359718608 /nfs/dbraw/zinc/71/86/08/359718608.db2.gz GFZDLJRJLAZFHO-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000309066991 491143949 /nfs/dbraw/zinc/14/39/49/491143949.db2.gz APJAJBREYDVCGP-OLZOCXBDSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1(C#N)CCC1 ZINC000450831346 202282035 /nfs/dbraw/zinc/28/20/35/202282035.db2.gz PGJBCAPCGQGPHF-UPJWGTAASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450882375 202296891 /nfs/dbraw/zinc/29/68/91/202296891.db2.gz NMBHTZOLONSVDT-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000451015701 202332682 /nfs/dbraw/zinc/33/26/82/202332682.db2.gz PHXOUMHVEHSZGX-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CCOC1CC([N@H+](C)CC2(C#N)CCC2)C1 ZINC000451025966 202332857 /nfs/dbraw/zinc/33/28/57/202332857.db2.gz CUQLOPOIMBGADL-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H](CO)c1ccsc1 ZINC000309099371 491144841 /nfs/dbraw/zinc/14/48/41/491144841.db2.gz FAWRCQFVCBFVPO-PWSUYJOCSA-N 1 0 223.341 2.173 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCC(C)(C)C#N ZINC000352680040 366561761 /nfs/dbraw/zinc/56/17/61/366561761.db2.gz IWMZHLLMJGHUMX-QSLWVIQJSA-N 1 0 248.370 2.281 20 30 BEEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNCCC#N)C1 ZINC000578435605 366566318 /nfs/dbraw/zinc/56/63/18/366566318.db2.gz JCIHLWIAWUUCRA-LBPRGKRZSA-N 1 0 223.364 2.000 20 30 BEEDRO CCC[C@@]1([NH2+]CC2(C#N)CCC2)CCOC1 ZINC000450981074 202324620 /nfs/dbraw/zinc/32/46/20/202324620.db2.gz HDRMSEVJLRMJSB-CYBMUJFWSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000578453340 366573520 /nfs/dbraw/zinc/57/35/20/366573520.db2.gz PBLAONHMONBVLT-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CCCC[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451081262 202348945 /nfs/dbraw/zinc/34/89/45/202348945.db2.gz DFTJPQATHOIMNB-CYBMUJFWSA-N 1 0 222.376 2.369 20 30 BEEDRO C[C@@]1(F)CCCN(C[C@@H](C#N)CCC#N)C1 ZINC000451114290 202350691 /nfs/dbraw/zinc/35/06/91/202350691.db2.gz CZJWHZIGVFZJDF-VXGBXAGGSA-N 1 0 223.295 2.254 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451096604 202351035 /nfs/dbraw/zinc/35/10/35/202351035.db2.gz XIRKSHAOXFIEHS-CYBMUJFWSA-N 1 0 222.376 2.369 20 30 BEEDRO C[C@]1(F)CCCN(C[C@H](C#N)CCC#N)C1 ZINC000451114289 202351507 /nfs/dbraw/zinc/35/15/07/202351507.db2.gz CZJWHZIGVFZJDF-RYUDHWBXSA-N 1 0 223.295 2.254 20 30 BEEDRO CC(C)[N@H+](CCCC(C)(C)C#N)C1COC1 ZINC000451121535 202358369 /nfs/dbraw/zinc/35/83/69/202358369.db2.gz RWOPIGFRHUSQBK-UHFFFAOYSA-N 1 0 224.348 2.426 20 30 BEEDRO COc1cccc(C[C@@H](C)[NH2+]CC(C)(C)C#N)n1 ZINC000612585095 359897917 /nfs/dbraw/zinc/89/79/17/359897917.db2.gz NYGSMHWVXTUTIX-LLVKDONJSA-N 1 0 247.342 2.161 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000309145809 491145606 /nfs/dbraw/zinc/14/56/06/491145606.db2.gz VDDWTAOYLQEILL-LPWJVIDDSA-N 1 0 211.349 2.338 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2C#N)CC1 ZINC000087062747 359895845 /nfs/dbraw/zinc/89/58/45/359895845.db2.gz DBMFWCMDSTVWRS-DKNRTOFZSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@H]2CCC[C@H]2C#N)CC1 ZINC000087062753 359896299 /nfs/dbraw/zinc/89/62/99/359896299.db2.gz DBMFWCMDSTVWRS-QPPOZKHWSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@@]1(C)CC(C)C ZINC000451294871 202397198 /nfs/dbraw/zinc/39/71/98/202397198.db2.gz YNLWVGRCKUMBIC-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCCO1 ZINC000087595271 359920135 /nfs/dbraw/zinc/92/01/35/359920135.db2.gz LYTFJBSIXDSQHR-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H](c2ccccc2)[C@](F)(CO)C1 ZINC000451261543 202389894 /nfs/dbraw/zinc/38/98/94/202389894.db2.gz JTNLFGVYDUJFNV-HUUCEWRRSA-N 1 0 249.329 2.363 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CCCSCC#N)C1(C)C ZINC000451485917 202430121 /nfs/dbraw/zinc/43/01/21/202430121.db2.gz DHXOFABXRCNIHE-WDEREUQCSA-N 1 0 242.388 2.036 20 30 BEEDRO N#CCC[C@@H](C#N)CN1CC(CC(F)(F)F)C1 ZINC000612681119 359988580 /nfs/dbraw/zinc/98/85/80/359988580.db2.gz VBTIGJRLSWEQJZ-VIFPVBQESA-N 1 0 245.248 2.314 20 30 BEEDRO N#CCC[C@H](C#N)CN1CC(CC(F)(F)F)C1 ZINC000612681118 359988703 /nfs/dbraw/zinc/98/87/03/359988703.db2.gz VBTIGJRLSWEQJZ-SECBINFHSA-N 1 0 245.248 2.314 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000089952311 360049310 /nfs/dbraw/zinc/04/93/10/360049310.db2.gz RQTZTWASIBYZLM-NEPJUHHUSA-N 1 0 227.373 2.159 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000092757557 360194490 /nfs/dbraw/zinc/19/44/90/360194490.db2.gz XGJJDWYGVZYRRE-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CC1CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000093359344 360236171 /nfs/dbraw/zinc/23/61/71/360236171.db2.gz HYLKSMWWWKKOON-UHFFFAOYSA-N 1 0 205.305 2.116 20 30 BEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1C#N ZINC000385891542 360438841 /nfs/dbraw/zinc/43/88/41/360438841.db2.gz MXXFPALMFYUYPG-GJZGRUSLSA-N 1 0 244.338 2.151 20 30 BEEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1C#N ZINC000385891540 360438931 /nfs/dbraw/zinc/43/89/31/360438931.db2.gz MXXFPALMFYUYPG-CABCVRRESA-N 1 0 244.338 2.151 20 30 BEEDRO CC(C)(CO)CC[NH2+]Cc1cc(C#N)cs1 ZINC000385873579 360433230 /nfs/dbraw/zinc/43/32/30/360433230.db2.gz JTAXIPRCUOQRKN-UHFFFAOYSA-N 1 0 238.356 2.118 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000448737800 200721131 /nfs/dbraw/zinc/72/11/31/200721131.db2.gz MWKQODQCUYQMJV-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]Cc1ccc(C#N)s1 ZINC000165234310 200725251 /nfs/dbraw/zinc/72/52/51/200725251.db2.gz BOBNGICIDDAGBX-LBPRGKRZSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1scnc1C ZINC000424170000 200875675 /nfs/dbraw/zinc/87/56/75/200875675.db2.gz ILYXOMYITFRAGA-QWRGUYRKSA-N 1 0 238.356 2.132 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000424208613 200889929 /nfs/dbraw/zinc/88/99/29/200889929.db2.gz YGVSJZSQMZEOBZ-CMPLNLGQSA-N 1 0 245.282 2.377 20 30 BEEDRO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424333038 200916806 /nfs/dbraw/zinc/91/68/06/200916806.db2.gz UEAQAFDXLRZFKS-DGAVXFQQSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](O)C(F)F)C1 ZINC000631216904 361166885 /nfs/dbraw/zinc/16/68/85/361166885.db2.gz SGFIDBAWKTUARB-MXWKQRLJSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000578997793 366689514 /nfs/dbraw/zinc/68/95/14/366689514.db2.gz WKHVOZHRLSUACQ-NSHDSACASA-N 1 0 226.364 2.032 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000579217194 366735461 /nfs/dbraw/zinc/73/54/61/366735461.db2.gz UHMHFOUQEABXBP-GRYCIOLGSA-N 1 0 205.305 2.064 20 30 BEEDRO C=C(C)C[NH2+]Cc1cn2ccccc2n1 ZINC000160760999 361326707 /nfs/dbraw/zinc/32/67/07/361326707.db2.gz SHNIZQBUPCAOTN-UHFFFAOYSA-N 1 0 201.273 2.000 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H]1CCOC1 ZINC000428327369 201009132 /nfs/dbraw/zinc/00/91/32/201009132.db2.gz SULBQHDFGTWWNF-CMPLNLGQSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(F)c1C#N)[C@@H]1CCOC1 ZINC000428327372 201009187 /nfs/dbraw/zinc/00/91/87/201009187.db2.gz SULBQHDFGTWWNF-ZYHUDNBSSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1COCCC[N@@H+]1CCC(C)(C)C#N ZINC000379712533 361346912 /nfs/dbraw/zinc/34/69/12/361346912.db2.gz RWJLDQNEIDQPGL-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO COC(=O)[C@H](CC(C)C)[N@H+](C)CCCCC#N ZINC000429152148 201073689 /nfs/dbraw/zinc/07/36/89/201073689.db2.gz VNYPQZMJBOOLEV-LBPRGKRZSA-N 1 0 240.347 2.200 20 30 BEEDRO CC#CCC[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000163106197 361381140 /nfs/dbraw/zinc/38/11/40/361381140.db2.gz KDUVFHYQTGKCRI-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1 ZINC000429691718 201126327 /nfs/dbraw/zinc/12/63/27/201126327.db2.gz OLNLDBURUOXQCX-NDBYEHHHSA-N 1 0 204.317 2.411 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000429698538 201126368 /nfs/dbraw/zinc/12/63/68/201126368.db2.gz MRKXZFWDMKJYBG-MELADBBJSA-N 1 0 235.375 2.095 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726986 201128442 /nfs/dbraw/zinc/12/84/42/201128442.db2.gz RKXHTYXHBIPXNU-UKRRQHHQSA-N 1 0 247.386 2.239 20 30 BEEDRO N#C[C@@H]1CC[C@H](N2CCC([NH+]3CCCC3)CC2)C1 ZINC000429726984 201129953 /nfs/dbraw/zinc/12/99/53/201129953.db2.gz RKXHTYXHBIPXNU-HIFRSBDPSA-N 1 0 247.386 2.239 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000429775114 201131604 /nfs/dbraw/zinc/13/16/04/201131604.db2.gz WCZSWSHDEPGJTQ-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000430032675 201137736 /nfs/dbraw/zinc/13/77/36/201137736.db2.gz CYKDDYJJTVFUSI-OLZOCXBDSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)Cc1nccs1 ZINC000448510080 201160766 /nfs/dbraw/zinc/16/07/66/201160766.db2.gz LQNMULYHLZWZQA-UHFFFAOYSA-N 1 0 239.388 2.083 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)CC(F)(F)F ZINC000629588591 361478978 /nfs/dbraw/zinc/47/89/78/361478978.db2.gz NTTZMCABCMRFAN-SECBINFHSA-N 1 0 239.281 2.492 20 30 BEEDRO Cc1cc(C[NH2+]CCC[C@H](C)O)ccc1C#N ZINC000433189199 201165934 /nfs/dbraw/zinc/16/59/34/201165934.db2.gz NMJVXFWVTDCFFO-LBPRGKRZSA-N 1 0 232.327 2.117 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430258219 201156731 /nfs/dbraw/zinc/15/67/31/201156731.db2.gz OLVGUSQJAKNQLS-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCN1CCCc2cccc(C[NH3+])c21 ZINC000629560400 361455046 /nfs/dbraw/zinc/45/50/46/361455046.db2.gz TYCQWUZOTHMFEE-UHFFFAOYSA-N 1 0 216.328 2.474 20 30 BEEDRO C[N@H+](CC[C@H]1CCCO1)CC(C)(C)C#N ZINC000433295030 201176203 /nfs/dbraw/zinc/17/62/03/201176203.db2.gz OBRKVHRDGLSJTM-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1 ZINC000629649971 361545991 /nfs/dbraw/zinc/54/59/91/361545991.db2.gz MOEIGRZOANEHNK-STQMWFEESA-N 1 0 210.365 2.258 20 30 BEEDRO C=CCC(CC=C)C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435241905 201258285 /nfs/dbraw/zinc/25/82/85/201258285.db2.gz IDZKRFIFWAWYTP-AWEZNQCLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000435737893 201285427 /nfs/dbraw/zinc/28/54/27/201285427.db2.gz MTTQXLNSPPJPTI-UKRRQHHQSA-N 1 0 246.354 2.461 20 30 BEEDRO CC#CCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000155083807 201301285 /nfs/dbraw/zinc/30/12/85/201301285.db2.gz FNANXCYKLBIGNH-UHFFFAOYSA-N 1 0 242.366 2.218 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CCCOC ZINC000436314091 201320478 /nfs/dbraw/zinc/32/04/78/201320478.db2.gz XPDAJYWVXVGXCX-RDBSUJKOSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CCCOC ZINC000436314089 201321019 /nfs/dbraw/zinc/32/10/19/201321019.db2.gz XPDAJYWVXVGXCX-MCIONIFRSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](COC)C(C)C ZINC000436312961 201321036 /nfs/dbraw/zinc/32/10/36/201321036.db2.gz KWIBBPXYSCULII-RDBSUJKOSA-N 1 0 241.375 2.228 20 30 BEEDRO N#CCCCOc1cccc(C[NH2+]CCF)c1 ZINC000437241661 201348299 /nfs/dbraw/zinc/34/82/99/201348299.db2.gz XGQYIOMTXOKJSP-UHFFFAOYSA-N 1 0 236.290 2.428 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000155750953 201351411 /nfs/dbraw/zinc/35/14/11/201351411.db2.gz WTYRCVSNAHHDAQ-OLZOCXBDSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438110849 201393512 /nfs/dbraw/zinc/39/35/12/201393512.db2.gz RJHVVWIGAJTMFX-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCCC#N ZINC000452035000 202514775 /nfs/dbraw/zinc/51/47/75/202514775.db2.gz MYWGCJGYRVQFHL-VXGBXAGGSA-N 1 0 210.321 2.227 20 30 BEEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000452108414 202529291 /nfs/dbraw/zinc/52/92/91/202529291.db2.gz DTMQAIZZJMPVOH-NEPJUHHUSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCOC1(C)C ZINC000328394338 363886233 /nfs/dbraw/zinc/88/62/33/363886233.db2.gz POYDPEHGOOFHLV-SNVBAGLBSA-N 1 0 215.362 2.063 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)OC ZINC000272782378 363891626 /nfs/dbraw/zinc/89/16/26/363891626.db2.gz HUKJWIHTRZCHFV-LBPRGKRZSA-N 1 0 232.327 2.415 20 30 BEEDRO C[C@@]1(C#N)CCCN(CCC[NH+]2CCCCC2)C1 ZINC000614912402 364055013 /nfs/dbraw/zinc/05/50/13/364055013.db2.gz PCMOPLAWVCJQRR-HNNXBMFYSA-N 1 0 249.402 2.488 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)C1CC1 ZINC000073800452 364237602 /nfs/dbraw/zinc/23/76/02/364237602.db2.gz KABMWVIQQINDOA-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCSCC#N)CCS1 ZINC000074991895 364301794 /nfs/dbraw/zinc/30/17/94/364301794.db2.gz MWRBBNHJQYNDGU-LLVKDONJSA-N 1 0 244.429 2.461 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CCn1cccn1 ZINC000134637120 364408714 /nfs/dbraw/zinc/40/87/14/364408714.db2.gz YHIFEMTXKFDCEF-JTQLQIEISA-N 1 0 213.712 2.004 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)CCCc1cccnc1 ZINC000453191933 202706161 /nfs/dbraw/zinc/70/61/61/202706161.db2.gz GCMFVGAJFPKEMS-UKRRQHHQSA-N 1 0 248.370 2.319 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)Cc1cnccn1 ZINC000453217568 202709349 /nfs/dbraw/zinc/70/93/49/202709349.db2.gz PGDJCNMJZLQKHX-NWDGAFQWSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CCSCC[NH2+]C1CCC(OC)CC1 ZINC000134876727 364416422 /nfs/dbraw/zinc/41/64/22/364416422.db2.gz VTMWWPXKCZPNGX-UHFFFAOYSA-N 1 0 229.389 2.453 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000630749410 364535246 /nfs/dbraw/zinc/53/52/46/364535246.db2.gz QMXYJEXJJSRZOG-QWHCGFSZSA-N 1 0 248.370 2.086 20 30 BEEDRO C=CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000193053112 219946438 /nfs/dbraw/zinc/94/64/38/219946438.db2.gz IQQSJMPEODQNBD-CQSZACIVSA-N 1 0 239.359 2.428 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000630760903 364539657 /nfs/dbraw/zinc/53/96/57/364539657.db2.gz BDPCYOTYHFEOLW-CHWSQXEVSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000630760905 364539684 /nfs/dbraw/zinc/53/96/84/364539684.db2.gz BDPCYOTYHFEOLW-QWHCGFSZSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000453360492 202748227 /nfs/dbraw/zinc/74/82/27/202748227.db2.gz OHLWCNUNZBOTRU-DGAVXFQQSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1nccnc1C ZINC000453355242 202748827 /nfs/dbraw/zinc/74/88/27/202748827.db2.gz NTJCWFDQNKGZHV-XQQFMLRXSA-N 1 0 247.342 2.169 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1cnc(C)cn1 ZINC000453389425 202756851 /nfs/dbraw/zinc/75/68/51/202756851.db2.gz CJTYBTPCLMHEJH-LLVKDONJSA-N 1 0 219.332 2.272 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn(C(C)C)nn1 ZINC000290233268 364668213 /nfs/dbraw/zinc/66/82/13/364668213.db2.gz YPZDSLVOQCOZFU-NSHDSACASA-N 1 0 222.336 2.303 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H]1CCCO1 ZINC000020206200 364668519 /nfs/dbraw/zinc/66/85/19/364668519.db2.gz IQCSIGSWMZRRHV-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)CF ZINC000288523415 364673779 /nfs/dbraw/zinc/67/37/79/364673779.db2.gz UYXGBUGJTKLPGO-NSHDSACASA-N 1 0 221.275 2.146 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCOC1(C)C ZINC000336899962 364853842 /nfs/dbraw/zinc/85/38/42/364853842.db2.gz RJZKBAGLJPCRDV-NSHDSACASA-N 1 0 224.348 2.473 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](CC)Cn1cncn1 ZINC000573459243 364841142 /nfs/dbraw/zinc/84/11/42/364841142.db2.gz XRVONYNMPPEMGT-ZDUSSCGKSA-N 1 0 236.363 2.393 20 30 BEEDRO Cc1ncccc1C[NH2+]C[C@H](C)CCC#N ZINC000602723462 541385200 /nfs/dbraw/zinc/38/52/00/541385200.db2.gz AXTMNUFOUFRLCR-LLVKDONJSA-N 1 0 217.316 2.420 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000573739984 364906190 /nfs/dbraw/zinc/90/61/90/364906190.db2.gz WGNKUJJZRGBVOB-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO COc1ccncc1CN1CCC[C@H](CC#N)C1 ZINC000397664233 541400143 /nfs/dbraw/zinc/40/01/43/541400143.db2.gz ONBXBBLJNKCFRP-GFCCVEGCSA-N 1 0 245.326 2.216 20 30 BEEDRO CCO[C@@H]1C[C@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000574002216 364961835 /nfs/dbraw/zinc/96/18/35/364961835.db2.gz GGVUKRCJNAGPPD-ZIAGYGMSSA-N 1 0 230.311 2.134 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1(C)C ZINC000574129814 364993020 /nfs/dbraw/zinc/99/30/20/364993020.db2.gz GLQOEWJDGBDBKQ-OUCADQQQSA-N 1 0 249.358 2.223 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CCCC[C@@H]32)C1=O ZINC000574396614 365052642 /nfs/dbraw/zinc/05/26/42/365052642.db2.gz CLVKDMJRCJZCRJ-IHRRRGAJSA-N 1 0 248.370 2.038 20 30 BEEDRO Cc1cnc([C@H](C)C[NH2+]CCC#N)s1 ZINC000574445896 365063674 /nfs/dbraw/zinc/06/36/74/365063674.db2.gz IMPYTOLPKASKRC-MRVPVSSYSA-N 1 0 209.318 2.058 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H](C)C[S@@](C)=O ZINC000574248192 365018875 /nfs/dbraw/zinc/01/88/75/365018875.db2.gz VLPBFCMHEIDCMW-SMDDNHRTSA-N 1 0 217.378 2.042 20 30 BEEDRO C=CCCCC[N@@H+](CCOC)[C@@H]1CCO[C@@H]1C ZINC000574519784 365081669 /nfs/dbraw/zinc/08/16/69/365081669.db2.gz FXFORYAOIQLKCK-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442849757 192997350 /nfs/dbraw/zinc/99/73/50/192997350.db2.gz BZWJKLUXEOQYEX-XQQFMLRXSA-N 1 0 236.359 2.065 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000443335970 193016721 /nfs/dbraw/zinc/01/67/21/193016721.db2.gz QLKXIHHRCZTELV-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(O)CCC1 ZINC000442905160 193004300 /nfs/dbraw/zinc/00/43/00/193004300.db2.gz VHDVXPKQFWKTCR-LBPRGKRZSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H]1C ZINC000574766976 365139570 /nfs/dbraw/zinc/13/95/70/365139570.db2.gz YWSGFODIYIGSHT-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443961938 193031992 /nfs/dbraw/zinc/03/19/92/193031992.db2.gz GAOVVVRUIXALIO-GFCCVEGCSA-N 1 0 232.327 2.381 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H]2CCCOC2)ccc1C#N ZINC000443967811 193032608 /nfs/dbraw/zinc/03/26/08/193032608.db2.gz DINWBZPEKDQYIO-AWEZNQCLSA-N 1 0 244.338 2.383 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@]2(C)CCOC2)ccc1C#N ZINC000444000814 193033609 /nfs/dbraw/zinc/03/36/09/193033609.db2.gz FVKWJHIEDJLLSR-OAHLLOKOSA-N 1 0 244.338 2.383 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)cc2F)[C@@H](C)C[N@@H+]1C ZINC000443510924 193023871 /nfs/dbraw/zinc/02/38/71/193023871.db2.gz NUVGKILMRFCHRT-MNOVXSKESA-N 1 0 247.317 2.226 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](OCCOCC)C1 ZINC000575321073 365277871 /nfs/dbraw/zinc/27/78/71/365277871.db2.gz OHMYLZBQHQKEMS-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO Cc1csc(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000335599739 365294710 /nfs/dbraw/zinc/29/47/10/365294710.db2.gz CUOPRGUSXXMTHZ-ZJUUUORDSA-N 1 0 221.329 2.233 20 30 BEEDRO C[C@H]1CCN(C(C)(C)C#N)C[C@H]1n1ccnc1 ZINC000336138168 365310839 /nfs/dbraw/zinc/31/08/39/365310839.db2.gz DXWOYRAGHZUKQX-NWDGAFQWSA-N 1 0 232.331 2.068 20 30 BEEDRO C=C[C@H](CC(=O)NCCC[NH2+]C)c1ccccc1 ZINC000575408360 365312681 /nfs/dbraw/zinc/31/26/81/365312681.db2.gz LKNLOQAXSZEVCA-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000336713550 365360664 /nfs/dbraw/zinc/36/06/64/365360664.db2.gz UJLXTDWVUOIPOE-UHFFFAOYSA-N 1 0 219.263 2.004 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000575828777 365378166 /nfs/dbraw/zinc/37/81/66/365378166.db2.gz LVHAYKAFBIAWAZ-UHFFFAOYSA-N 1 0 246.358 2.133 20 30 BEEDRO CC1(C)C[N@H+](CCOCCC#N)[C@H]2CCC[C@H]21 ZINC000339719905 365472112 /nfs/dbraw/zinc/47/21/12/365472112.db2.gz WQIVAEFHBFHMPL-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCCCCCNC(=O)[C@H](CC)[NH+](C)C ZINC000564582526 325797327 /nfs/dbraw/zinc/79/73/27/325797327.db2.gz DVAKJMRZCVBOQS-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H]1CCCOC1)C(C)(C)C ZINC000380255140 366904058 /nfs/dbraw/zinc/90/40/58/366904058.db2.gz QCBGOYSNFCUXHZ-NWDGAFQWSA-N 1 0 209.333 2.051 20 30 BEEDRO C=CCCCC[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000576106392 365488941 /nfs/dbraw/zinc/48/89/41/365488941.db2.gz SYEWNNVOBUXRON-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)C1 ZINC000579702679 366983971 /nfs/dbraw/zinc/98/39/71/366983971.db2.gz UMXOVTOFKGDNDA-AGIUHOORSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cccc(C)c1C ZINC000183718453 367042645 /nfs/dbraw/zinc/04/26/45/367042645.db2.gz KHVNYJDBENPLRU-CYBMUJFWSA-N 1 0 246.354 2.256 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184545289 367074695 /nfs/dbraw/zinc/07/46/95/367074695.db2.gz HESQVPGOZWDZNL-NSHDSACASA-N 1 0 217.316 2.436 20 30 BEEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CCCCC#N ZINC000367578529 367085593 /nfs/dbraw/zinc/08/55/93/367085593.db2.gz VSXKAKHPPGJEQK-QSLWVIQJSA-N 1 0 234.343 2.035 20 30 BEEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CCCCC#N)[C@H]1[C@H]3C2 ZINC000367578527 367086076 /nfs/dbraw/zinc/08/60/76/367086076.db2.gz VSXKAKHPPGJEQK-HTVCTNPSSA-N 1 0 234.343 2.035 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367617249 367087352 /nfs/dbraw/zinc/08/73/52/367087352.db2.gz QDZXBGBMRSDXDD-LLVKDONJSA-N 1 0 205.305 2.343 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000579939486 367093050 /nfs/dbraw/zinc/09/30/50/367093050.db2.gz WEOHQYKKKVRRMP-SNVBAGLBSA-N 1 0 215.300 2.184 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1Cc1ccnc(C#N)c1 ZINC000068765900 370843628 /nfs/dbraw/zinc/84/36/28/370843628.db2.gz ZPIDHLPASGDVML-CYBMUJFWSA-N 1 0 215.300 2.328 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000581002839 367229583 /nfs/dbraw/zinc/22/95/83/367229583.db2.gz JEDVXFOYBBEWJK-IGQOVBAYSA-N 1 0 236.359 2.067 20 30 BEEDRO CC#CC[N@H+](C)CCN1CCCc2ccccc21 ZINC000581264143 367315034 /nfs/dbraw/zinc/31/50/34/367315034.db2.gz SICSVVDTAHPWJL-UHFFFAOYSA-N 1 0 242.366 2.394 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000581376770 367407184 /nfs/dbraw/zinc/40/71/84/367407184.db2.gz BZEXXIYMHBXPKE-STQMWFEESA-N 1 0 240.391 2.421 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000581376767 367407763 /nfs/dbraw/zinc/40/77/63/367407763.db2.gz BZEXXIYMHBXPKE-CHWSQXEVSA-N 1 0 240.391 2.421 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000382365728 367512698 /nfs/dbraw/zinc/51/26/98/367512698.db2.gz BLDXDJKGQWCOHP-QWRGUYRKSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000163916114 202790715 /nfs/dbraw/zinc/79/07/15/202790715.db2.gz FDAYEFGWJNCQQT-SNVBAGLBSA-N 1 0 246.310 2.244 20 30 BEEDRO C=CCCCC[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000581588904 367616377 /nfs/dbraw/zinc/61/63/77/367616377.db2.gz BVLXLQNBWMGQEO-OAHLLOKOSA-N 1 0 246.354 2.333 20 30 BEEDRO C=CCCCC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000581588903 367616719 /nfs/dbraw/zinc/61/67/19/367616719.db2.gz BVLXLQNBWMGQEO-HNNXBMFYSA-N 1 0 246.354 2.333 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)COc1ccccc1 ZINC000384889093 367751966 /nfs/dbraw/zinc/75/19/66/367751966.db2.gz XMNMEERQVXJAPH-CYBMUJFWSA-N 1 0 249.354 2.228 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CCn2ccnc21 ZINC000384889602 367752356 /nfs/dbraw/zinc/75/23/56/367752356.db2.gz XQVFXSOMIWOQIS-SNVBAGLBSA-N 1 0 205.305 2.130 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cc(C(=O)OC)co1 ZINC000384905001 367754210 /nfs/dbraw/zinc/75/42/10/367754210.db2.gz ABFRZQIBWRKKHK-UHFFFAOYSA-N 1 0 237.299 2.368 20 30 BEEDRO C[C@H](CC(C)(C)O)[NH2+]CC(C)(C)CCC#N ZINC000384962936 367766354 /nfs/dbraw/zinc/76/63/54/367766354.db2.gz HNXRWONKIQSEEM-LLVKDONJSA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H](C)O1 ZINC000384642228 367711895 /nfs/dbraw/zinc/71/18/95/367711895.db2.gz AYHBERVSGHETOB-GRYCIOLGSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000385069190 367782869 /nfs/dbraw/zinc/78/28/69/367782869.db2.gz VZHNOOJSTLDEAO-SECBINFHSA-N 1 0 225.254 2.102 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](CO)[C@@H]1C ZINC000385769532 367863414 /nfs/dbraw/zinc/86/34/14/367863414.db2.gz GNPJUYCDJNYBKN-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CCC(C)(C)C#N ZINC000386251135 367939789 /nfs/dbraw/zinc/93/97/89/367939789.db2.gz JERDOOIBNNCZLN-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn2ccccc2n1 ZINC000386696641 368011039 /nfs/dbraw/zinc/01/10/39/368011039.db2.gz LTMSMVASEIPNKH-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000386720704 368013657 /nfs/dbraw/zinc/01/36/57/368013657.db2.gz RXOQJKRWTYNHHF-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000386835181 368025598 /nfs/dbraw/zinc/02/55/98/368025598.db2.gz INOTTYYHOJHTFX-MNOVXSKESA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000386835183 368026152 /nfs/dbraw/zinc/02/61/52/368026152.db2.gz INOTTYYHOJHTFX-WDEREUQCSA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000387312835 368151003 /nfs/dbraw/zinc/15/10/03/368151003.db2.gz BPKKQJWIYDORCC-QJPTWQEYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000387478808 368231584 /nfs/dbraw/zinc/23/15/84/368231584.db2.gz CDRGGFOHRXLMBY-QWRGUYRKSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@H](O)C(F)F ZINC000631697633 368240027 /nfs/dbraw/zinc/24/00/27/368240027.db2.gz NUXLGDBSQOTMIE-ZJUUUORDSA-N 1 0 221.291 2.337 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000045914750 368434327 /nfs/dbraw/zinc/43/43/27/368434327.db2.gz HRWSAXFJUHPTJA-UHFFFAOYSA-N 1 0 218.256 2.050 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCC2(CCCCC2)O1 ZINC000566792674 326083015 /nfs/dbraw/zinc/08/30/15/326083015.db2.gz LGVGZFNCZLVBRG-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000059812261 368533138 /nfs/dbraw/zinc/53/31/38/368533138.db2.gz WAXUFINBXZBHAE-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCNC(=[NH2+])NCc1c(C)cc(C)cc1C ZINC000066243733 368642572 /nfs/dbraw/zinc/64/25/72/368642572.db2.gz BSSDCJZBEJSOAU-UHFFFAOYSA-N 1 0 231.343 2.202 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](CC)c1ccccc1 ZINC000066244277 368642903 /nfs/dbraw/zinc/64/29/03/368642903.db2.gz HRPLWRPAXJOBJN-LBPRGKRZSA-N 1 0 231.343 2.271 20 30 BEEDRO CCC(N)=[NH+]OC/C=C/c1ccccc1 ZINC000067385602 368687241 /nfs/dbraw/zinc/68/72/41/368687241.db2.gz PTLKQQAAXIIMKM-RMKNXTFCSA-N 1 0 204.273 2.399 20 30 BEEDRO C=CCCCC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457132282 203010343 /nfs/dbraw/zinc/01/03/43/203010343.db2.gz UPUFVOUAFGUEOC-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@H](C)[C@H]([NH3+])[C@@H]1C ZINC000457371168 203046803 /nfs/dbraw/zinc/04/68/03/203046803.db2.gz QYLBOCIXDQIQRP-CYDGBPFRSA-N 1 0 238.375 2.173 20 30 BEEDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000069142620 368748071 /nfs/dbraw/zinc/74/80/71/368748071.db2.gz BGOXNSGKIAWKFY-CYBMUJFWSA-N 1 0 244.342 2.097 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)C#N)C12CCC2 ZINC000083684807 368804410 /nfs/dbraw/zinc/80/44/10/368804410.db2.gz PLPHPWNNWORPOR-QJPTWQEYSA-N 1 0 222.332 2.083 20 30 BEEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000074287538 368836302 /nfs/dbraw/zinc/83/63/02/368836302.db2.gz BLMAGIREBPFTMS-QWHCGFSZSA-N 1 0 224.348 2.306 20 30 BEEDRO CC(C)C[C@H](C)C[NH+]1CCN(CCC#N)CC1 ZINC000619621055 368919880 /nfs/dbraw/zinc/91/98/80/368919880.db2.gz REIBGZBGNCABPP-AWEZNQCLSA-N 1 0 237.391 2.200 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](OC)C2)C1 ZINC000623808733 368953993 /nfs/dbraw/zinc/95/39/93/368953993.db2.gz ATIZROSITUXUNU-RNJOBUHISA-N 1 0 209.333 2.498 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCCOCC1 ZINC000161438271 369087551 /nfs/dbraw/zinc/08/75/51/369087551.db2.gz CAWMMMRDCJGYNZ-VIFPVBQESA-N 1 0 234.137 2.054 20 30 BEEDRO CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000618570500 369172715 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CC#CCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000156479501 326233281 /nfs/dbraw/zinc/23/32/81/326233281.db2.gz XSUCPSQOQLXAAQ-LLVKDONJSA-N 1 0 249.276 2.035 20 30 BEEDRO C=CCC1(NC(=O)[C@@H](CC)[NH+](C)C)CCCC1 ZINC000619107566 369283711 /nfs/dbraw/zinc/28/37/11/369283711.db2.gz FIOGMVKNPURLQP-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO CN(Cc1c(C#N)cccc1[N+](=O)[O-])CC1CC1 ZINC000459294427 203249440 /nfs/dbraw/zinc/24/94/40/203249440.db2.gz GUMRUZSIWYRODI-UHFFFAOYSA-N 1 0 245.282 2.308 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459507660 203292418 /nfs/dbraw/zinc/29/24/18/203292418.db2.gz KWTROXXUDRHRKU-UHFFFAOYSA-N 1 0 203.289 2.020 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000459511894 203293887 /nfs/dbraw/zinc/29/38/87/203293887.db2.gz YHQORXMVYPWIAO-IJLUTSLNSA-N 1 0 229.389 2.451 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000459453558 203283588 /nfs/dbraw/zinc/28/35/88/203283588.db2.gz XPBFSTBFUPOEPA-ZRUFSTJUSA-N 1 0 215.362 2.060 20 30 BEEDRO N#Cc1csc(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000619432262 369350694 /nfs/dbraw/zinc/35/06/94/369350694.db2.gz ZTNZOIWTRGLSSR-NSHDSACASA-N 1 0 248.351 2.088 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)on1 ZINC000459548703 203299503 /nfs/dbraw/zinc/29/95/03/203299503.db2.gz XWHVVKLSTLGKBM-YPMHNXCESA-N 1 0 236.315 2.054 20 30 BEEDRO COCC[N@H+](CCC#N)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403642538 369408330 /nfs/dbraw/zinc/40/83/30/369408330.db2.gz PNZABYYYWLCDQO-HZSPNIEDSA-N 1 0 236.359 2.285 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCC#N)[C@@H](CC)CO1 ZINC000403914722 369415590 /nfs/dbraw/zinc/41/55/90/369415590.db2.gz OJTOOGIMWNJRTD-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000459635055 203326332 /nfs/dbraw/zinc/32/63/32/203326332.db2.gz PCHKKZRZZAOXHU-ZDEQEGDKSA-N 1 0 222.332 2.224 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1CCCCO1 ZINC000405119002 369446530 /nfs/dbraw/zinc/44/65/30/369446530.db2.gz GYOQDFSJPOVXIT-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO N#CCCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000404796470 369435730 /nfs/dbraw/zinc/43/57/30/369435730.db2.gz GHNGCTCYMKOLGK-UHFFFAOYSA-N 1 0 214.259 2.411 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000230407323 369438717 /nfs/dbraw/zinc/43/87/17/369438717.db2.gz XUMLQYHZVMKZNK-NWDGAFQWSA-N 1 0 231.343 2.423 20 30 BEEDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000230659247 369453684 /nfs/dbraw/zinc/45/36/84/369453684.db2.gz MVLPAMJRHLNGRZ-YPMHNXCESA-N 1 0 231.343 2.423 20 30 BEEDRO Cn1cccc1C[NH2+]CC(C)(C)CC#N ZINC000459685402 203336627 /nfs/dbraw/zinc/33/66/27/203336627.db2.gz FFGLWRIEFWTFLK-UHFFFAOYSA-N 1 0 205.305 2.055 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccccn1 ZINC000459684639 203336744 /nfs/dbraw/zinc/33/67/44/203336744.db2.gz DOAIMLATKZGSBX-UHFFFAOYSA-N 1 0 203.289 2.111 20 30 BEEDRO CC(C)(CC#N)C[NH2+]C[C@@H]1CCSC1 ZINC000459683776 203337753 /nfs/dbraw/zinc/33/77/53/203337753.db2.gz BEQOLGOVNVIJAO-JTQLQIEISA-N 1 0 212.362 2.269 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1COCC ZINC000459717613 203339343 /nfs/dbraw/zinc/33/93/43/203339343.db2.gz QTXPHEOXSMXFJR-KBPBESRZSA-N 1 0 241.375 2.205 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cnc3ccccn23)CC1 ZINC000619531853 369464072 /nfs/dbraw/zinc/46/40/72/369464072.db2.gz RKNOSEFXOIQDGP-UHFFFAOYSA-N 1 0 240.310 2.118 20 30 BEEDRO COC1CCC([NH2+]CC(C)(C)CC#N)CC1 ZINC000459731960 203343527 /nfs/dbraw/zinc/34/35/27/203343527.db2.gz NYNHWTUZHOYUPF-UHFFFAOYSA-N 1 0 224.348 2.473 20 30 BEEDRO COCc1ccc(C[NH2+]CC(C)(C)CC#N)o1 ZINC000459729668 203343680 /nfs/dbraw/zinc/34/36/80/203343680.db2.gz KQOXPIOECFHZNG-UHFFFAOYSA-N 1 0 236.315 2.455 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CCCOCC1 ZINC000459732039 203343898 /nfs/dbraw/zinc/34/38/98/203343898.db2.gz OFJPHKBRPXURAT-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000459740871 203349740 /nfs/dbraw/zinc/34/97/40/203349740.db2.gz MTVWZTYZCKVXAH-NEPJUHHUSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H](C)O1 ZINC000459737793 203347387 /nfs/dbraw/zinc/34/73/87/203347387.db2.gz WTVPWTHNLPGUFJ-OUAUKWLOSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000459735433 203348060 /nfs/dbraw/zinc/34/80/60/203348060.db2.gz STDZENKIHIBWLB-QWRGUYRKSA-N 1 0 205.305 2.208 20 30 BEEDRO CCOC[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000619568607 369481369 /nfs/dbraw/zinc/48/13/69/369481369.db2.gz GECUGHPBQNWOIB-OLZOCXBDSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459765994 203360938 /nfs/dbraw/zinc/36/09/38/203360938.db2.gz DMBNYJKQYBDLPJ-NDBYEHHHSA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@H]([NH2+]CCCC(C)(C)C#N)c1ccn(C)n1 ZINC000459768716 203363278 /nfs/dbraw/zinc/36/32/78/203363278.db2.gz ADBVYWZUFZCZRD-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H]1COC[C@H]1OC ZINC000459778188 203364603 /nfs/dbraw/zinc/36/46/03/203364603.db2.gz ZHWZHYXHXFQOKF-RWMBFGLXSA-N 1 0 227.348 2.125 20 30 BEEDRO CC(C)OC1CC([NH2+]CC(C)(C)CC#N)C1 ZINC000459738029 203350392 /nfs/dbraw/zinc/35/03/92/203350392.db2.gz XGSYZELDQHUBIT-UHFFFAOYSA-N 1 0 224.348 2.472 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)C12CCC2 ZINC000459799183 203374619 /nfs/dbraw/zinc/37/46/19/203374619.db2.gz YOEYFQQALMEMTI-CHWSQXEVSA-N 1 0 246.310 2.198 20 30 BEEDRO C[N@H+](CCCO)Cc1ccc(C(C)(C)C#N)cc1 ZINC000619657405 369510152 /nfs/dbraw/zinc/51/01/52/369510152.db2.gz KSTGZNMJTKFQHH-UHFFFAOYSA-N 1 0 246.354 2.302 20 30 BEEDRO CCC1(O)CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000619672970 369521497 /nfs/dbraw/zinc/52/14/97/369521497.db2.gz SVHDGQAYQQJKLB-RJZJGCCBSA-N 1 0 236.359 2.352 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000459785825 203368184 /nfs/dbraw/zinc/36/81/84/203368184.db2.gz ZOESOMIIMFGJSV-CABCVRRESA-N 1 0 244.338 2.410 20 30 BEEDRO N#Cc1ccc(C[NH+]2CC(C3CCOCC3)C2)o1 ZINC000619726566 369556517 /nfs/dbraw/zinc/55/65/17/369556517.db2.gz IURXZFXUCVTOKW-UHFFFAOYSA-N 1 0 246.310 2.010 20 30 BEEDRO Cc1ccc(CN2CCC(C)([NH3+])CC2)cc1C#N ZINC000600707933 369559635 /nfs/dbraw/zinc/55/96/35/369559635.db2.gz CEFDVAZQOFLLRF-UHFFFAOYSA-N 1 0 243.354 2.180 20 30 BEEDRO C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711237 369561094 /nfs/dbraw/zinc/56/10/94/369561094.db2.gz RXGWUBMHHWPHRI-JMSVASOKSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C#N)cc1F ZINC000601292121 369620212 /nfs/dbraw/zinc/62/02/12/369620212.db2.gz SGOOQSDNKMAPFR-ZMLRMANQSA-N 1 0 248.301 2.119 20 30 BEEDRO CCC[C@H](CCO)[NH2+]Cc1cc(C#N)cs1 ZINC000601140313 369595632 /nfs/dbraw/zinc/59/56/32/369595632.db2.gz UDZQRYFFFMCJQQ-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO CCn1nccc1CCN1CCC[C@](C)(C#N)C1 ZINC000619809067 369599207 /nfs/dbraw/zinc/59/92/07/369599207.db2.gz RASJFELLFHLESW-CQSZACIVSA-N 1 0 246.358 2.071 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619896890 369627870 /nfs/dbraw/zinc/62/78/70/369627870.db2.gz APBDGAPDKZUXIM-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH+](C)C(C)(C)CNCc1cccc(F)c1C#N ZINC000601998743 369731772 /nfs/dbraw/zinc/73/17/72/369731772.db2.gz PWXDKEJILYNAGI-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1cccc(F)c1C#N ZINC000602008772 369734163 /nfs/dbraw/zinc/73/41/63/369734163.db2.gz UGHIRONWQFOPHC-LLVKDONJSA-N 1 0 236.290 2.212 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000602016692 369735703 /nfs/dbraw/zinc/73/57/03/369735703.db2.gz JVBXGWYRKRNDPO-KBPBESRZSA-N 1 0 248.301 2.090 20 30 BEEDRO N#Cc1c(F)cccc1C[NH2+]CCC1(O)CCC1 ZINC000602018253 369736389 /nfs/dbraw/zinc/73/63/89/369736389.db2.gz WTUHIGVTCFOSKT-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602520520 369806610 /nfs/dbraw/zinc/80/66/10/369806610.db2.gz HHIDDFIVPDODOW-GHMZBOCLSA-N 1 0 217.316 2.477 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@H]2CCO2)c(F)c1 ZINC000602539026 369808858 /nfs/dbraw/zinc/80/88/58/369808858.db2.gz PWKDUOLTUKKIEY-ZDUSSCGKSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2CCSCC2)n1 ZINC000602544237 369810055 /nfs/dbraw/zinc/81/00/55/369810055.db2.gz GJTVRNQIXXZFQH-UHFFFAOYSA-N 1 0 247.367 2.186 20 30 BEEDRO CC(C)[C@@H](C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602555151 369812390 /nfs/dbraw/zinc/81/23/90/369812390.db2.gz CSHIRZPYBIAMEA-NSHDSACASA-N 1 0 217.316 2.335 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]Cc1cccc(C#N)n1 ZINC000602555278 369812590 /nfs/dbraw/zinc/81/25/90/369812590.db2.gz FEPYTHBWCFWEBO-AWEZNQCLSA-N 1 0 247.342 2.248 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602567021 369813864 /nfs/dbraw/zinc/81/38/64/369813864.db2.gz SSXUHSOPWGOORA-GWCFXTLKSA-N 1 0 215.300 2.231 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC(F)(F)C2)n1 ZINC000602576010 369816362 /nfs/dbraw/zinc/81/63/62/369816362.db2.gz KQEPOLDZZUXLIM-SECBINFHSA-N 1 0 237.253 2.231 20 30 BEEDRO CC(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602571824 369816391 /nfs/dbraw/zinc/81/63/91/369816391.db2.gz OTPFHJXBYDXISC-LLVKDONJSA-N 1 0 217.316 2.477 20 30 BEEDRO CC1(C)CC[C@@H](C[NH2+]Cc2cccc(C#N)n2)O1 ZINC000602626024 369830458 /nfs/dbraw/zinc/83/04/58/369830458.db2.gz WSGWDSRBJODXBY-ZDUSSCGKSA-N 1 0 245.326 2.000 20 30 BEEDRO CC1(CC[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602644510 369833674 /nfs/dbraw/zinc/83/36/74/369833674.db2.gz SKKHATVWCNNNJB-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602653334 369835792 /nfs/dbraw/zinc/83/57/92/369835792.db2.gz PROFDIRMIKKEHX-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccc(C#N)cc1F ZINC000305819256 369778767 /nfs/dbraw/zinc/77/87/67/369778767.db2.gz NYLALMRRURWDFG-JTQLQIEISA-N 1 0 248.301 2.120 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602450117 369789883 /nfs/dbraw/zinc/78/98/83/369789883.db2.gz TZFRULYAHIBUBK-ZDUSSCGKSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602441411 369789892 /nfs/dbraw/zinc/78/98/92/369789892.db2.gz FOOQVAWKIRJCIN-SNVBAGLBSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cccc(C#N)n1 ZINC000602471869 369791115 /nfs/dbraw/zinc/79/11/15/369791115.db2.gz LZDOIKRQBDEWRB-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO CSC[C@H]1CCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602479542 369791988 /nfs/dbraw/zinc/79/19/88/369791988.db2.gz NKRHHJBYIARKNQ-CYBMUJFWSA-N 1 0 247.367 2.281 20 30 BEEDRO CC(C)OCCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602472650 369793190 /nfs/dbraw/zinc/79/31/90/369793190.db2.gz JLJQULPHRLZWBN-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO CC[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602483999 369794674 /nfs/dbraw/zinc/79/46/74/369794674.db2.gz KWAXWIHQSIBRAU-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO CC(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602506390 369797756 /nfs/dbraw/zinc/79/77/56/369797756.db2.gz UHAVKBIWIFSZPK-UHFFFAOYSA-N 1 0 203.289 2.089 20 30 BEEDRO CC(C)(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602511916 369801236 /nfs/dbraw/zinc/80/12/36/369801236.db2.gz VRQTUZRALXURLS-UHFFFAOYSA-N 1 0 217.316 2.479 20 30 BEEDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)O1 ZINC000602707891 369844476 /nfs/dbraw/zinc/84/44/76/369844476.db2.gz CBWHVAJZUKKSPX-RISCZKNCSA-N 1 0 245.326 2.000 20 30 BEEDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(C#N)n2)O1 ZINC000602707893 369844658 /nfs/dbraw/zinc/84/46/58/369844658.db2.gz CBWHVAJZUKKSPX-SMDDNHRTSA-N 1 0 245.326 2.000 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2=CCCC2)n1 ZINC000602717343 369846062 /nfs/dbraw/zinc/84/60/62/369846062.db2.gz GEWDMOZWCDKASV-UHFFFAOYSA-N 1 0 213.284 2.153 20 30 BEEDRO C[N@H+](CC1=CCSC1)Cc1cccc(C#N)n1 ZINC000602716307 369846366 /nfs/dbraw/zinc/84/63/66/369846366.db2.gz FGDZXKWMYCNGPX-UHFFFAOYSA-N 1 0 245.351 2.058 20 30 BEEDRO CC1(F)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000602741112 369848927 /nfs/dbraw/zinc/84/89/27/369848927.db2.gz JIWLOKUCRHHUMX-UHFFFAOYSA-N 1 0 222.263 2.475 20 30 BEEDRO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000602759784 369849085 /nfs/dbraw/zinc/84/90/85/369849085.db2.gz PACNWZZWKXWXBY-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO CCN(C#N)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000602803329 369852668 /nfs/dbraw/zinc/85/26/68/369852668.db2.gz WCCBFPBENJKOSA-LBPRGKRZSA-N 1 0 242.326 2.012 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)CC(F)(F)F ZINC000307947407 370069105 /nfs/dbraw/zinc/06/91/05/370069105.db2.gz MWIQBDMNIAZEIH-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO CC[C@]1([NH2+]Cc2cc(C#N)cs2)CCOC1 ZINC000309708289 370246525 /nfs/dbraw/zinc/24/65/25/370246525.db2.gz PPHJDUYSXGVZPR-LBPRGKRZSA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@@H]1CC([NH2+][C@@H]2CC[C@@H](C#N)C2)C[C@@H](C)O1 ZINC000309814579 370264484 /nfs/dbraw/zinc/26/44/84/370264484.db2.gz UZYGWOOXYFZEDS-DDHJBXDOSA-N 1 0 222.332 2.224 20 30 BEEDRO C=CCCC[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621378864 370321691 /nfs/dbraw/zinc/32/16/91/370321691.db2.gz GFUQFWQSBLVTMJ-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000310617654 370356827 /nfs/dbraw/zinc/35/68/27/370356827.db2.gz GZNIBOLIUQMREF-WFASDCNBSA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCC(CC=C)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621685706 370435899 /nfs/dbraw/zinc/43/58/99/370435899.db2.gz JIRABOHLVQHDOQ-DZGCQCFKSA-N 1 0 248.370 2.095 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1nccnc1C ZINC000621725717 370478372 /nfs/dbraw/zinc/47/83/72/370478372.db2.gz YOPYMVWOBHRBEW-GFCCVEGCSA-N 1 0 217.316 2.326 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@H]1COCC1(C)C ZINC000313065218 370566715 /nfs/dbraw/zinc/56/67/15/370566715.db2.gz MBOAFLIEHRTIFN-AWEZNQCLSA-N 1 0 244.338 2.381 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000092392684 371096671 /nfs/dbraw/zinc/09/66/71/371096671.db2.gz IDKRPRXVGFAKTG-RISCZKNCSA-N 1 0 232.327 2.226 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000092393856 371097317 /nfs/dbraw/zinc/09/73/17/371097317.db2.gz YZRATKZZDQAJQV-RISCZKNCSA-N 1 0 232.327 2.226 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CC[C@@H]1O ZINC000275398008 371101024 /nfs/dbraw/zinc/10/10/24/371101024.db2.gz DIQLMRCFZGLQDU-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO CC(C)(C)OCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000390274239 371192876 /nfs/dbraw/zinc/19/28/76/371192876.db2.gz SMIPMRBUFJOJJJ-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CCCC[N@H+](C)CC(=O)Nc1ccc(C#N)cc1 ZINC000019846824 371192957 /nfs/dbraw/zinc/19/29/57/371192957.db2.gz LSEKRYFZEHSDPO-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CC[NH+]1CCC(Nc2cccc(C#N)c2)CC1 ZINC000019921959 371202531 /nfs/dbraw/zinc/20/25/31/371202531.db2.gz SZJXGHBRRGHFQG-UHFFFAOYSA-N 1 0 229.327 2.454 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1nc(C)cs1 ZINC000623993886 371228138 /nfs/dbraw/zinc/22/81/38/371228138.db2.gz HBXBDIBHZHRNGK-MXWKQRLJSA-N 1 0 238.356 2.446 20 30 BEEDRO C[C@@H](O)C[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000390616116 371218914 /nfs/dbraw/zinc/21/89/14/371218914.db2.gz GXLZKYZPBXUBAZ-YPMHNXCESA-N 1 0 218.300 2.002 20 30 BEEDRO C=CCCCC[N@H+]1CCN(CC)C(=O)C1(C)C ZINC001642829510 1172409483 /nfs/dbraw/zinc/40/94/83/1172409483.db2.gz DXMZADOESBOUGM-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@@H]1CCCO1 ZINC000624090193 371300845 /nfs/dbraw/zinc/30/08/45/371300845.db2.gz NFXCBVXCZUAHTJ-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO Cc1nnc([C@H](C)NCC2(CC#N)CC2)s1 ZINC000391941010 371352780 /nfs/dbraw/zinc/35/27/80/371352780.db2.gz PBXZSDSUGBUBRO-QMMMGPOBSA-N 1 0 236.344 2.191 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000624223643 371409892 /nfs/dbraw/zinc/40/98/92/371409892.db2.gz ZRARUSHSXNVMJW-WCFLWFBJSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000624223641 371412765 /nfs/dbraw/zinc/41/27/65/371412765.db2.gz ZRARUSHSXNVMJW-DRZSPHRISA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCN(C)CC(F)F ZINC000624324571 371482865 /nfs/dbraw/zinc/48/28/65/371482865.db2.gz OXRHPGQGIIVYEJ-GHMZBOCLSA-N 1 0 234.334 2.374 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000156531428 371442102 /nfs/dbraw/zinc/44/21/02/371442102.db2.gz QETRJJUFNVWZEV-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO Cc1cc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)ccc1C#N ZINC000334735616 371519032 /nfs/dbraw/zinc/51/90/32/371519032.db2.gz RGPJRGMIGHYPRI-ABAIWWIYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@H]1C[N@@H+](Cc2ccnc(C#N)c2)CC[C@@H]1C ZINC000161845295 371570899 /nfs/dbraw/zinc/57/08/99/371570899.db2.gz ANQRIKIQVKFRHW-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCCC12CCOCC2 ZINC000302484965 371578049 /nfs/dbraw/zinc/57/80/49/371578049.db2.gz ZBTICMDRGFWKSK-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000133525953 372068917 /nfs/dbraw/zinc/06/89/17/372068917.db2.gz RPPCSNZURRJOSV-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccccc1C#N ZINC000133537686 372071046 /nfs/dbraw/zinc/07/10/46/372071046.db2.gz AEQBKQLQNULYQD-OAHLLOKOSA-N 1 0 245.370 2.363 20 30 BEEDRO Cc1cc(N[C@@H]2CCC[C@H]2[NH+](C)C)ncc1C#N ZINC001642932496 1172420735 /nfs/dbraw/zinc/42/07/35/1172420735.db2.gz QKFQKFCRMVOKDP-CHWSQXEVSA-N 1 0 244.342 2.156 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000229151261 372123956 /nfs/dbraw/zinc/12/39/56/372123956.db2.gz XDWFGFOSMYZGJR-WFASDCNBSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C1 ZINC000631199208 372229910 /nfs/dbraw/zinc/22/99/10/372229910.db2.gz YRSDYEKZWHXMNL-ZDEQEGDKSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](CO)C2)C1 ZINC000631199206 372230619 /nfs/dbraw/zinc/23/06/19/372230619.db2.gz YRSDYEKZWHXMNL-NDBYEHHHSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]Cc1cnnn1CC ZINC000631222369 372244895 /nfs/dbraw/zinc/24/48/95/372244895.db2.gz WMBRPFIGQMNXQC-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2cc(OC)ccc21 ZINC000631614446 372462402 /nfs/dbraw/zinc/46/24/02/372462402.db2.gz CFFHKGMIJYKCFM-WFASDCNBSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2ncccc21 ZINC000631633101 372471009 /nfs/dbraw/zinc/47/10/09/372471009.db2.gz UYZIDPWDBRHGBE-KFWWJZLASA-N 1 0 244.338 2.392 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H](C)CC ZINC000171949495 372838493 /nfs/dbraw/zinc/83/84/93/372838493.db2.gz FEUWMYFCOPADDS-CYBMUJFWSA-N 1 0 238.375 2.165 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H](CC)[NH+](C)C ZINC000633965414 373863847 /nfs/dbraw/zinc/86/38/47/373863847.db2.gz SDHONEDSKXIBDN-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)C1CC1 ZINC000189319453 205861689 /nfs/dbraw/zinc/86/16/89/205861689.db2.gz PSKMMEWPESIKMS-XBFCOCLRSA-N 1 0 223.360 2.482 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCCCCO ZINC000192901967 205968912 /nfs/dbraw/zinc/96/89/12/205968912.db2.gz IAPACJQVTWPXMU-UHFFFAOYSA-N 1 0 212.337 2.069 20 30 BEEDRO COC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000193041265 205973068 /nfs/dbraw/zinc/97/30/68/205973068.db2.gz PATLSNXLNZUORZ-DRZSPHRISA-N 1 0 222.332 2.083 20 30 BEEDRO COC1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000193274615 205982203 /nfs/dbraw/zinc/98/22/03/205982203.db2.gz YQFIWDJYHYCCHA-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)CCOC)C1CC1 ZINC000178691823 206009232 /nfs/dbraw/zinc/00/92/32/206009232.db2.gz KOFHYESTXWHBGC-ZIAGYGMSSA-N 1 0 241.375 2.108 20 30 BEEDRO COCC(C)(C)C[N@H+](C[C@H](C)C#N)C1CC1 ZINC000426419231 206046568 /nfs/dbraw/zinc/04/65/68/206046568.db2.gz IAFSJZPHWCZZCG-LLVKDONJSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c[nH]c(C(=O)OC)c1 ZINC000426573662 206050147 /nfs/dbraw/zinc/05/01/47/206050147.db2.gz ONPSSPMSAUUTGH-GFCCVEGCSA-N 1 0 248.326 2.342 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CO)C2)ccc1C#N ZINC000449427014 206097225 /nfs/dbraw/zinc/09/72/25/206097225.db2.gz MNIRGQUTALCOJM-HIFRSBDPSA-N 1 0 244.338 2.117 20 30 BEEDRO COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCC#N ZINC000451590135 206108432 /nfs/dbraw/zinc/10/84/32/206108432.db2.gz XOPBOOKKDJMUHH-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]CCCCC#N ZINC000167259903 206145878 /nfs/dbraw/zinc/14/58/78/206145878.db2.gz ISLSBQJGMCPRGE-LBPRGKRZSA-N 1 0 212.337 2.475 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(C#N)n(C)c1 ZINC000191441996 259573627 /nfs/dbraw/zinc/57/36/27/259573627.db2.gz AVHVQBMPKGAPJN-QWRGUYRKSA-N 1 0 217.316 2.270 20 30 BEEDRO CCC[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000037098397 169074808 /nfs/dbraw/zinc/07/48/08/169074808.db2.gz VZXZFOCPTAGGQK-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CCC[N@H+](C)CC(=O)Nc1cc(C#N)ccc1C ZINC000359274463 169076514 /nfs/dbraw/zinc/07/65/14/169076514.db2.gz DBZAKNSASYZACF-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO CCC[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000037098387 169076547 /nfs/dbraw/zinc/07/65/47/169076547.db2.gz TYVGIRXCTSFPEQ-UHFFFAOYSA-N 1 0 245.326 2.229 20 30 BEEDRO CCC[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833139 169081784 /nfs/dbraw/zinc/08/17/84/169081784.db2.gz WNSNKVSVPMLGSW-UHFFFAOYSA-N 1 0 218.300 2.409 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(C#N)ccn1 ZINC000290707828 169124715 /nfs/dbraw/zinc/12/47/15/169124715.db2.gz LHMSMPNRFUIQTD-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@@H+](Cc1ccc(C#N)cc1)C[C@H](C)O ZINC000192968517 169175396 /nfs/dbraw/zinc/17/53/96/169175396.db2.gz CFVONAVHNYVAPY-LBPRGKRZSA-N 1 0 232.327 2.151 20 30 BEEDRO CCCN(c1ccc(F)cc1C#N)[C@H]1CC[NH2+]C1 ZINC000111027620 169182346 /nfs/dbraw/zinc/18/23/46/169182346.db2.gz IPCGLNQTJHWHAW-ZDUSSCGKSA-N 1 0 247.317 2.276 20 30 BEEDRO CCC[NH+]1CCC(Nc2ccc(C#N)nc2)CC1 ZINC000125288509 169190226 /nfs/dbraw/zinc/19/02/26/169190226.db2.gz WOWSZCDYPOACCM-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CCCN1CCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000353971455 169197236 /nfs/dbraw/zinc/19/72/36/169197236.db2.gz JZYKYHKBNFSZBN-MELADBBJSA-N 1 0 235.375 2.143 20 30 BEEDRO CCC[NH2+]CCNc1ccc(C#N)cc1F ZINC000054267538 169260231 /nfs/dbraw/zinc/26/02/31/169260231.db2.gz PBKFFMFYOAGRBI-UHFFFAOYSA-N 1 0 221.279 2.109 20 30 BEEDRO CCC[NH2+]CCNc1c(F)cc(C#N)cc1F ZINC000133672673 169260538 /nfs/dbraw/zinc/26/05/38/169260538.db2.gz WMZSKTVWIJDSIV-UHFFFAOYSA-N 1 0 239.269 2.248 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CCC(N)=O ZINC000059325159 1172529241 /nfs/dbraw/zinc/52/92/41/1172529241.db2.gz ZCAVOZRWMDIYOA-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000181286134 134335296 /nfs/dbraw/zinc/33/52/96/134335296.db2.gz UFJZRJDVSNVRTK-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC[N@H+](CCOC)Cc1cccc(C#N)c1F ZINC000223525536 134340613 /nfs/dbraw/zinc/34/06/13/134340613.db2.gz SDAMSUZNCPLKLP-UHFFFAOYSA-N 1 0 236.290 2.166 20 30 BEEDRO C=CCCCCC[N@@H+](C)C1(CO)CCOCC1 ZINC000193579186 259606802 /nfs/dbraw/zinc/60/68/02/259606802.db2.gz AWAUIZWWLVHQHZ-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000233407111 169539335 /nfs/dbraw/zinc/53/93/35/169539335.db2.gz FUCULRJUNRUXLU-WCQYABFASA-N 1 0 217.316 2.175 20 30 BEEDRO C=CCSCC[NH2+]C[C@@H]1CCSC1 ZINC000226378793 134364674 /nfs/dbraw/zinc/36/46/74/134364674.db2.gz SMEATHGXPMVZQN-JTQLQIEISA-N 1 0 217.403 2.248 20 30 BEEDRO CC(C)(C)OCC[NH+]1CCC(C)(C#N)CC1 ZINC000227352592 134378484 /nfs/dbraw/zinc/37/84/84/134378484.db2.gz AOCXOJLJRSBXKD-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO Cc1c(C[N@H+](C)CCCC(C)(C)C#N)cnn1C ZINC000560002682 383836527 /nfs/dbraw/zinc/83/65/27/383836527.db2.gz LQQOJHVNTRXXIN-UHFFFAOYSA-N 1 0 248.374 2.490 20 30 BEEDRO COc1cc(C[NH2+][C@@H](C)CF)ccc1C#N ZINC000288347293 383870535 /nfs/dbraw/zinc/87/05/35/383870535.db2.gz BWOWVZMTNQVPLQ-VIFPVBQESA-N 1 0 222.263 2.014 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C3CC3)C2)o1 ZINC000156971834 383907314 /nfs/dbraw/zinc/90/73/14/383907314.db2.gz JBFXOCMUPCVKSR-BXUZGUMPSA-N 1 0 246.310 2.198 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000090919546 383920772 /nfs/dbraw/zinc/92/07/72/383920772.db2.gz ZWMRGRHZKGUITH-SNVBAGLBSA-N 1 0 217.268 2.089 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000116853699 383889576 /nfs/dbraw/zinc/88/95/76/383889576.db2.gz ATZRZWIWWMTUFJ-TZMCWYRMSA-N 1 0 246.354 2.370 20 30 BEEDRO CCOCCC1(C[NH2+]Cc2ccc(C#N)o2)CC1 ZINC000126471600 383984839 /nfs/dbraw/zinc/98/48/39/383984839.db2.gz VRMXBKWTCNDRBI-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO CC(C)C1([NH2+]Cc2nc(C#N)cs2)CC1 ZINC000339508938 383988512 /nfs/dbraw/zinc/98/85/12/383988512.db2.gz VKEXPXARXKZVGJ-UHFFFAOYSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000339496205 383990844 /nfs/dbraw/zinc/99/08/44/383990844.db2.gz PDDNEDISKZQRBM-SNVBAGLBSA-N 1 0 206.264 2.396 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000560239313 383999686 /nfs/dbraw/zinc/99/96/86/383999686.db2.gz KLKUVFWMBBODHN-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO CC(F)(F)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000449353783 383955108 /nfs/dbraw/zinc/95/51/08/383955108.db2.gz GOSPZEJGSNGUMW-BDAKNGLRSA-N 1 0 202.248 2.314 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H]1c1cc[nH]n1 ZINC000298626381 383964922 /nfs/dbraw/zinc/96/49/22/383964922.db2.gz VKMQUPKUMSKQMD-SNVBAGLBSA-N 1 0 211.696 2.299 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000560259428 384025091 /nfs/dbraw/zinc/02/50/91/384025091.db2.gz SVJGFWRNSGVOKZ-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(NC(C)=O)cc1 ZINC000229880520 259643302 /nfs/dbraw/zinc/64/33/02/259643302.db2.gz CDNWPJOQTTVLQJ-ZDUSSCGKSA-N 1 0 230.311 2.146 20 30 BEEDRO CN(C)C1(C[NH2+]Cc2cccc(C#N)c2)CCC1 ZINC000097928423 384049147 /nfs/dbraw/zinc/04/91/47/384049147.db2.gz DGXSILDTWPDSAB-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000091764111 384031491 /nfs/dbraw/zinc/03/14/91/384031491.db2.gz IXVONKHERXTTAC-UHFFFAOYSA-N 1 0 242.363 2.361 20 30 BEEDRO C=CCCCC[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000560318010 384061758 /nfs/dbraw/zinc/06/17/58/384061758.db2.gz XPINEYLERWNWRE-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO CCN(CCO)Cc1ccc(Cl)cc1C#N ZINC000186948030 384093532 /nfs/dbraw/zinc/09/35/32/384093532.db2.gz TVYRVVDXTAWEMI-UHFFFAOYSA-N 1 0 238.718 2.026 20 30 BEEDRO C#CCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000169044176 533036726 /nfs/dbraw/zinc/03/67/26/533036726.db2.gz NKYRQRMXRGQRIN-UHFFFAOYSA-N 1 0 246.329 2.361 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccs1 ZINC000449523347 384204790 /nfs/dbraw/zinc/20/47/90/384204790.db2.gz XOOWHMHJKKWLNC-MNOVXSKESA-N 1 0 209.314 2.181 20 30 BEEDRO C#CCC[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000377789082 533045402 /nfs/dbraw/zinc/04/54/02/533045402.db2.gz VAWODQNQTGOTDB-STQMWFEESA-N 1 0 219.328 2.043 20 30 BEEDRO C[C@H](CNc1c(F)cc(C#N)cc1F)[NH+](C)C ZINC000126972090 384232639 /nfs/dbraw/zinc/23/26/39/384232639.db2.gz JLGIIEWLPOUSIH-MRVPVSSYSA-N 1 0 239.269 2.198 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)c1)[C@@H](O)CC ZINC000313140761 384237628 /nfs/dbraw/zinc/23/76/28/384237628.db2.gz HUFPTJZTNCXFCF-KGLIPLIRSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374556644 533049568 /nfs/dbraw/zinc/04/95/68/533049568.db2.gz NUDJJBZYRNJHPS-INIZCTEOSA-N 1 0 243.350 2.036 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](C)COC ZINC000299431983 384208930 /nfs/dbraw/zinc/20/89/30/384208930.db2.gz VHMGKVSIWPBPOB-ZDUSSCGKSA-N 1 0 217.312 2.157 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(C#N)nc1 ZINC000310332645 384213397 /nfs/dbraw/zinc/21/33/97/384213397.db2.gz KKKZRJRHHBZYAP-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO CN(Cc1ncc[nH]1)c1c(F)cc(C#N)cc1F ZINC000336599189 384244703 /nfs/dbraw/zinc/24/47/03/384244703.db2.gz SVMPXKZLTUTZBY-UHFFFAOYSA-N 1 0 248.236 2.196 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000158538057 384248969 /nfs/dbraw/zinc/24/89/69/384248969.db2.gz VOYFUQUNRNGMMM-UHFFFAOYSA-N 1 0 247.338 2.467 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2=CCCOC2)c1 ZINC000336693837 384248947 /nfs/dbraw/zinc/24/89/47/384248947.db2.gz XYNWDBAUNOVALG-UHFFFAOYSA-N 1 0 234.324 2.056 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1ccccn1 ZINC000309419998 384259418 /nfs/dbraw/zinc/25/94/18/384259418.db2.gz JSYLTTFHFQZSNR-GFCCVEGCSA-N 1 0 220.316 2.325 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)[C@H](C)O1 ZINC000414517046 384263395 /nfs/dbraw/zinc/26/33/95/384263395.db2.gz QBGHDCGLXSVAQX-TYNCELHUSA-N 1 0 244.338 2.461 20 30 BEEDRO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(C#N)s1 ZINC000135690995 384278285 /nfs/dbraw/zinc/27/82/85/384278285.db2.gz YFGNXKWVUYFPSP-GWCFXTLKSA-N 1 0 249.383 2.050 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1F ZINC000335301262 384274109 /nfs/dbraw/zinc/27/41/09/384274109.db2.gz MGZOCUUQLPXDNG-CYBMUJFWSA-N 1 0 248.301 2.044 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CNCc2ccc(C#N)s2)C1 ZINC000135691359 384276921 /nfs/dbraw/zinc/27/69/21/384276921.db2.gz WPDYRNGBTXHEAH-NSHDSACASA-N 1 0 249.383 2.051 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)[C@H](O)C(F)F ZINC000449420220 384309744 /nfs/dbraw/zinc/30/97/44/384309744.db2.gz DUYFDENWJPPOCF-ZNSHCXBVSA-N 1 0 246.301 2.063 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000094948278 384320775 /nfs/dbraw/zinc/32/07/75/384320775.db2.gz XUYBCIXKFCKBRN-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ncccc1O ZINC000521317357 384279332 /nfs/dbraw/zinc/27/93/32/384279332.db2.gz DDYFVNHMUWAYRQ-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1cn[nH]c1 ZINC000229884820 384280980 /nfs/dbraw/zinc/28/09/80/384280980.db2.gz MGGKHDDKYAGMBQ-JTQLQIEISA-N 1 0 226.283 2.132 20 30 BEEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cn[nH]c1 ZINC000229884444 384281661 /nfs/dbraw/zinc/28/16/61/384281661.db2.gz OYYFDOWOWUMNNX-SNVBAGLBSA-N 1 0 226.283 2.132 20 30 BEEDRO C=C(C)CN(CC)C(=O)CCCC[NH+](C)C ZINC000560690879 384301332 /nfs/dbraw/zinc/30/13/32/384301332.db2.gz WKLVGOORRCDRSO-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426879570 384301488 /nfs/dbraw/zinc/30/14/88/384301488.db2.gz TXHPNIHKSIQTGE-CYBMUJFWSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426879571 384302152 /nfs/dbraw/zinc/30/21/52/384302152.db2.gz TXHPNIHKSIQTGE-ZDUSSCGKSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC[C@H](O)C(F)(F)F ZINC000308834864 384338693 /nfs/dbraw/zinc/33/86/93/384338693.db2.gz HRRWEAYHFQUFBH-IUCAKERBSA-N 1 0 225.254 2.244 20 30 BEEDRO C#CCC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000376558845 533056236 /nfs/dbraw/zinc/05/62/36/533056236.db2.gz QNMKZXDHJUIIIF-GXTWGEPZSA-N 1 0 214.312 2.488 20 30 BEEDRO CSCCC[N@H+](CCC#N)CC1CC1 ZINC000174697678 384351910 /nfs/dbraw/zinc/35/19/10/384351910.db2.gz GDZGFIWVTCAZDL-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO Cc1cc(C[N@@H+]2CCCO[C@@H](C)C2)ccc1C#N ZINC000335765107 384371778 /nfs/dbraw/zinc/37/17/78/384371778.db2.gz YERBGOHTHNYBLG-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000308832354 384330839 /nfs/dbraw/zinc/33/08/39/384330839.db2.gz USTUYIQMWHWQFC-RYUDHWBXSA-N 1 0 208.349 2.167 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000313495663 384426193 /nfs/dbraw/zinc/42/61/93/384426193.db2.gz XSEXLPFQDUCATM-VXGBXAGGSA-N 1 0 208.349 2.167 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165229147 384404105 /nfs/dbraw/zinc/40/41/05/384404105.db2.gz DFXPSTQCQLMXCE-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165228473 384404691 /nfs/dbraw/zinc/40/46/91/384404691.db2.gz XLNGXVCIAKBAET-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1ccc(C#N)s1 ZINC000165231795 384405708 /nfs/dbraw/zinc/40/57/08/384405708.db2.gz MKKQGDOPDXLHNG-UWVGGRQHSA-N 1 0 238.356 2.116 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCCc2c1cnn2C ZINC000313493240 384420675 /nfs/dbraw/zinc/42/06/75/384420675.db2.gz PZWSAYOAGPCZPP-LBPRGKRZSA-N 1 0 219.332 2.353 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(C#N)c1F ZINC000335919910 384423580 /nfs/dbraw/zinc/42/35/80/384423580.db2.gz DCLAIABUWJZJOW-LBPRGKRZSA-N 1 0 248.301 2.354 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000362977897 384385720 /nfs/dbraw/zinc/38/57/20/384385720.db2.gz VNTCXMXEHNHOFS-RISCZKNCSA-N 1 0 249.358 2.047 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]Cc1ccc(C#N)s1 ZINC000135504794 384448161 /nfs/dbraw/zinc/44/81/61/384448161.db2.gz DMDQVYFADQQPBC-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000135509375 384449354 /nfs/dbraw/zinc/44/93/54/384449354.db2.gz BETUWSOCHDYRDD-WDEREUQCSA-N 1 0 218.300 2.071 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000180476751 384470869 /nfs/dbraw/zinc/47/08/69/384470869.db2.gz BPEJGUBJJPOLAZ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000110923239 533068883 /nfs/dbraw/zinc/06/88/83/533068883.db2.gz ACVWVHNCYJEVGM-LLVKDONJSA-N 1 0 230.311 2.319 20 30 BEEDRO C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000097439824 384519556 /nfs/dbraw/zinc/51/95/56/384519556.db2.gz CNLGCFPIYNZKET-RYUDHWBXSA-N 1 0 232.327 2.227 20 30 BEEDRO CC#CC[N@H+](CCc1nccs1)C(C)C ZINC000159910006 384526414 /nfs/dbraw/zinc/52/64/14/384526414.db2.gz IEENAJJYDCBXHJ-UHFFFAOYSA-N 1 0 222.357 2.419 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000335866439 384527267 /nfs/dbraw/zinc/52/72/67/384527267.db2.gz LPNQQDFIBQDFPX-LBPRGKRZSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CCCCC[N@@H+]1CC[S@@](=O)C[C@H](C)C1 ZINC000517855248 384531071 /nfs/dbraw/zinc/53/10/71/384531071.db2.gz DOBKHJALZXNCDU-IUODEOHRSA-N 1 0 229.389 2.043 20 30 BEEDRO N#CCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000049578438 384549700 /nfs/dbraw/zinc/54/97/00/384549700.db2.gz ZKQMBFPZQCNMPW-UHFFFAOYSA-N 1 0 213.284 2.342 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CN1C1CC1 ZINC000449446913 384554367 /nfs/dbraw/zinc/55/43/67/384554367.db2.gz UOFWOPYYIMBRGI-RFGFWPKPSA-N 1 0 247.386 2.284 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309586392 384571423 /nfs/dbraw/zinc/57/14/23/384571423.db2.gz RWHNVRGTNWTZOD-NWDGAFQWSA-N 1 0 223.316 2.423 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1ccn(C)n1 ZINC000309733891 384572320 /nfs/dbraw/zinc/57/23/20/384572320.db2.gz FXNRDFKDDFIVLR-NEPJUHHUSA-N 1 0 221.348 2.153 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)C(C)C ZINC000491760959 384581709 /nfs/dbraw/zinc/58/17/09/384581709.db2.gz TVEDBKCBMWTKLL-CYBMUJFWSA-N 1 0 229.327 2.101 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(OC)c1)OC ZINC000289709489 384583372 /nfs/dbraw/zinc/58/33/72/384583372.db2.gz FILMZPQSMLUTID-ZDUSSCGKSA-N 1 0 248.326 2.081 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)C(C)C ZINC000491760965 384584001 /nfs/dbraw/zinc/58/40/01/384584001.db2.gz TVEDBKCBMWTKLL-ZDUSSCGKSA-N 1 0 229.327 2.101 20 30 BEEDRO C=CCCC[NH+]1CCN(c2ccccn2)CC1 ZINC000117870605 384610242 /nfs/dbraw/zinc/61/02/42/384610242.db2.gz YXIZQWIDTAPOIC-UHFFFAOYSA-N 1 0 231.343 2.170 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1CC ZINC000401451279 384592731 /nfs/dbraw/zinc/59/27/31/384592731.db2.gz AFXUYFNJGUQJHK-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@@H](O)c1ccc(C#N)cc1 ZINC000135278870 384634516 /nfs/dbraw/zinc/63/45/16/384634516.db2.gz BWPCSUITZWHSBJ-OAHLLOKOSA-N 1 0 244.338 2.324 20 30 BEEDRO Cc1ncc(C[NH2+][C@H]2CC[C@H](C#N)C2)s1 ZINC000309220857 384658087 /nfs/dbraw/zinc/65/80/87/384658087.db2.gz VDPWXJSDAWOBFI-UWVGGRQHSA-N 1 0 221.329 2.233 20 30 BEEDRO Cc1ncsc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000335913152 384679152 /nfs/dbraw/zinc/67/91/52/384679152.db2.gz CUDAIJCJNIHXRS-ZJUUUORDSA-N 1 0 221.329 2.233 20 30 BEEDRO CSCCC[N@H+](C)CCCCC#N ZINC000300948836 384726789 /nfs/dbraw/zinc/72/67/89/384726789.db2.gz GXXSFPOFYONKQL-UHFFFAOYSA-N 1 0 200.351 2.365 20 30 BEEDRO CC#CCC[N@H+](C)CCOc1ccccc1 ZINC000155064881 384691572 /nfs/dbraw/zinc/69/15/72/384691572.db2.gz VDVKFDNUSXDHLF-UHFFFAOYSA-N 1 0 217.312 2.411 20 30 BEEDRO CC(C)CCN(CCC#N)CCn1cccn1 ZINC000173547396 384692493 /nfs/dbraw/zinc/69/24/93/384692493.db2.gz ZLFRDRJQPSEJTI-UHFFFAOYSA-N 1 0 234.347 2.145 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363354315 384699450 /nfs/dbraw/zinc/69/94/50/384699450.db2.gz ZJXIFERHCSGIRF-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO CC#CCC[N@H+]1CCc2ccc(OC)cc2C1 ZINC000155219081 384704468 /nfs/dbraw/zinc/70/44/68/384704468.db2.gz OYYKTHVQPDLKOG-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000565841255 384710059 /nfs/dbraw/zinc/71/00/59/384710059.db2.gz OIEIHFYLGCZPKA-LLVKDONJSA-N 1 0 227.311 2.351 20 30 BEEDRO C=C(C[NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1 ZINC000402372012 384730871 /nfs/dbraw/zinc/73/08/71/384730871.db2.gz YREHPENESSXDTC-JSGCOSHPSA-N 1 0 217.312 2.467 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(CC#N)cc2)C1 ZINC000335990401 384746795 /nfs/dbraw/zinc/74/67/95/384746795.db2.gz CRLQHUJZCRQGTN-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C)nc1C ZINC000491040652 384750085 /nfs/dbraw/zinc/75/00/85/384750085.db2.gz WGFZHDCYPVXNNY-UHFFFAOYSA-N 1 0 202.301 2.154 20 30 BEEDRO C[NH2+][C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000150255447 384757751 /nfs/dbraw/zinc/75/77/51/384757751.db2.gz MVTUSGRPFSWTOP-NSHDSACASA-N 1 0 235.718 2.010 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000491417261 384769491 /nfs/dbraw/zinc/76/94/91/384769491.db2.gz MYENVWPVTIVGLQ-ZQNQSHIBSA-N 1 0 235.371 2.437 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)CC(C)C)CC1 ZINC000106040099 384820779 /nfs/dbraw/zinc/82/07/79/384820779.db2.gz VZYAAAFOYYQAID-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000491428634 384822763 /nfs/dbraw/zinc/82/27/63/384822763.db2.gz PSEACKCZRCVOAC-CYBMUJFWSA-N 1 0 244.338 2.277 20 30 BEEDRO CCC[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000310014541 384796848 /nfs/dbraw/zinc/79/68/48/384796848.db2.gz KIIWWRQEYTYOST-AGIUHOORSA-N 1 0 224.348 2.209 20 30 BEEDRO CN(C)C(=[NH+]CCCc1ccccc1)N(C)C ZINC000104153205 384805000 /nfs/dbraw/zinc/80/50/00/384805000.db2.gz QHMLJQUCJWVOJK-UHFFFAOYSA-N 1 0 233.359 2.098 20 30 BEEDRO CCCCNC(=[NH2+])NCc1cccc(C)c1 ZINC000104162403 384807213 /nfs/dbraw/zinc/80/72/13/384807213.db2.gz NMDMJFYJCIJVOH-UHFFFAOYSA-N 1 0 219.332 2.199 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCc1cccc(C)c1 ZINC000104177659 384807651 /nfs/dbraw/zinc/80/76/51/384807651.db2.gz MKNSCVXRNRKNPQ-UHFFFAOYSA-N 1 0 233.359 2.194 20 30 BEEDRO Cc1ccc(C(C)(C)CNC(=[NH2+])NC2CC2)cc1 ZINC000104193930 384809768 /nfs/dbraw/zinc/80/97/68/384809768.db2.gz AGMHGJCDKCONEQ-UHFFFAOYSA-N 1 0 245.370 2.339 20 30 BEEDRO C=C(Cl)CN(C)CCNC(=O)OC(C)(C)C ZINC000297458145 384811645 /nfs/dbraw/zinc/81/16/45/384811645.db2.gz PTKGZKIBEYBDRJ-UHFFFAOYSA-N 1 0 248.754 2.195 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1CCC(F)(F)CC1 ZINC000647199329 384876592 /nfs/dbraw/zinc/87/65/92/384876592.db2.gz YJDOVLDYIQYJLG-JTQLQIEISA-N 1 0 233.302 2.339 20 30 BEEDRO CCCC(N)=NOCc1ccc(C#N)cc1F ZINC000105605788 384877474 /nfs/dbraw/zinc/87/74/74/384877474.db2.gz CFYSQNVGGBAUPP-UHFFFAOYSA-N 1 0 235.262 2.286 20 30 BEEDRO CCCC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000083729924 384851683 /nfs/dbraw/zinc/85/16/83/384851683.db2.gz QSXUZIXTXUNANH-UHFFFAOYSA-N 1 0 218.300 2.457 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CCc1ccn(C)n1 ZINC000309454765 134433693 /nfs/dbraw/zinc/43/36/93/134433693.db2.gz LZVYKZPFEUUVIN-LBPRGKRZSA-N 1 0 221.348 2.297 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCOC1 ZINC000162916220 384954167 /nfs/dbraw/zinc/95/41/67/384954167.db2.gz JVNGXKTVLLQFSA-RISCZKNCSA-N 1 0 230.311 2.073 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)o1 ZINC000335284327 384897166 /nfs/dbraw/zinc/89/71/66/384897166.db2.gz IFUCCNUUYKXCMU-WDEREUQCSA-N 1 0 204.273 2.370 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000448199494 384902165 /nfs/dbraw/zinc/90/21/65/384902165.db2.gz BPKVQGFQDRYWJF-TZMCWYRMSA-N 1 0 236.359 2.095 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCC2CC2)o1 ZINC000135486646 384904951 /nfs/dbraw/zinc/90/49/51/384904951.db2.gz UADRCWYUOJZTIK-UHFFFAOYSA-N 1 0 204.273 2.431 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1COC(=O)N(C)CC ZINC000497278887 384934172 /nfs/dbraw/zinc/93/41/72/384934172.db2.gz DDRYGCBMSPNHAU-GFCCVEGCSA-N 1 0 240.347 2.115 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@@H]1C[C@H]1c1ccccc1 ZINC000491465261 384940617 /nfs/dbraw/zinc/94/06/17/384940617.db2.gz VPIRHVQXKWADAH-XHSDSOJGSA-N 1 0 241.334 2.124 20 30 BEEDRO C=CC[C@H](CO)Nc1cc(C)nc(C(C)C)n1 ZINC000302129732 384960340 /nfs/dbraw/zinc/96/03/40/384960340.db2.gz JSQRJADDOXFRLK-LLVKDONJSA-N 1 0 235.331 2.257 20 30 BEEDRO C[C@H](CC[NH+](C)C)NCc1ccc(C#N)s1 ZINC000135498375 384979933 /nfs/dbraw/zinc/97/99/33/384979933.db2.gz GTTDYUCWZSEGFV-SNVBAGLBSA-N 1 0 237.372 2.050 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOC(F)(F)F)C1 ZINC000336679748 384980142 /nfs/dbraw/zinc/98/01/42/384980142.db2.gz NXYDKVKYRVKBPQ-IUCAKERBSA-N 1 0 236.237 2.195 20 30 BEEDRO C=CCCC[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000371716492 384984398 /nfs/dbraw/zinc/98/43/98/384984398.db2.gz OSNMILQBJCECMA-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO N#CCCC[N@@H+]1CCc2ccccc2C1 ZINC000019504056 384999740 /nfs/dbraw/zinc/99/97/40/384999740.db2.gz UBTPQDNEVIEJBS-UHFFFAOYSA-N 1 0 200.285 2.348 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2CCSC2)ccc1C#N ZINC000234945571 385016069 /nfs/dbraw/zinc/01/60/69/385016069.db2.gz AJHYHKRBOFIPAO-GFCCVEGCSA-N 1 0 248.351 2.162 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1c[nH]nc1C ZINC000130140945 385023428 /nfs/dbraw/zinc/02/34/28/385023428.db2.gz IDZWHAYWIMJMLV-UWVGGRQHSA-N 1 0 207.321 2.408 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000306516430 385052464 /nfs/dbraw/zinc/05/24/64/385052464.db2.gz XZXKAZYAHUBDBO-KOLCDFICSA-N 1 0 210.346 2.164 20 30 BEEDRO C=C(C[NH2+]C[C@H](O)CCOCC)c1ccccc1 ZINC000644647330 385053334 /nfs/dbraw/zinc/05/33/34/385053334.db2.gz QADCHCHDGLTJAH-OAHLLOKOSA-N 1 0 249.354 2.077 20 30 BEEDRO CCCN(CC)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310029591 385061449 /nfs/dbraw/zinc/06/14/49/385061449.db2.gz QRGDMVNEAHPPIN-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO COC1(CC[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000340440136 385063176 /nfs/dbraw/zinc/06/31/76/385063176.db2.gz GHZVUJYQXRTYIG-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H]1C[N@H+](CCCCC#N)CCCO1 ZINC000308760612 385080633 /nfs/dbraw/zinc/08/06/33/385080633.db2.gz XELPDAFGNPFGOD-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@H](C[NH2+]Cc1cc(C#N)cs1)N(C)C1CC1 ZINC000177697136 385082102 /nfs/dbraw/zinc/08/21/02/385082102.db2.gz YBVOCNGAKMYFKT-SNVBAGLBSA-N 1 0 249.383 2.192 20 30 BEEDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000310014545 385024230 /nfs/dbraw/zinc/02/42/30/385024230.db2.gz KIIWWRQEYTYOST-XQQFMLRXSA-N 1 0 224.348 2.209 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000530724528 385026036 /nfs/dbraw/zinc/02/60/36/385026036.db2.gz GLYVWLOIEDZDLZ-CYBMUJFWSA-N 1 0 200.285 2.242 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000135509288 385030852 /nfs/dbraw/zinc/03/08/52/385030852.db2.gz FVPGHNOQHPDLKC-QWRGUYRKSA-N 1 0 218.300 2.071 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647299621 385039714 /nfs/dbraw/zinc/03/97/14/385039714.db2.gz WRQQBXLEOROWIE-GFCCVEGCSA-N 1 0 249.358 2.073 20 30 BEEDRO CC#CC[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246166682 385115998 /nfs/dbraw/zinc/11/59/98/385115998.db2.gz RGJJKMDNNJTTOK-VXGBXAGGSA-N 1 0 209.358 2.370 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCCn1ccnc1C ZINC000491210149 385133322 /nfs/dbraw/zinc/13/33/22/385133322.db2.gz QNAIIFMEIIPROJ-UHFFFAOYSA-N 1 0 233.359 2.315 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000157344243 385136555 /nfs/dbraw/zinc/13/65/55/385136555.db2.gz YXDDMBVMKCTKAV-HOTGVXAUSA-N 1 0 243.350 2.273 20 30 BEEDRO C=CCCOCC[NH2+]CC1(SC)CCC1 ZINC000336686042 385088237 /nfs/dbraw/zinc/08/82/37/385088237.db2.gz KTTCUAXFFNKACC-UHFFFAOYSA-N 1 0 229.389 2.454 20 30 BEEDRO CC(C)N(CC[NH+](C)C)c1cccc(F)c1C#N ZINC000274351849 385095978 /nfs/dbraw/zinc/09/59/78/385095978.db2.gz KVAQWZHNJWODEW-UHFFFAOYSA-N 1 0 249.333 2.474 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(COC)on1 ZINC000298062657 385099546 /nfs/dbraw/zinc/09/95/46/385099546.db2.gz KFZJRAOMKYAMJG-SNVBAGLBSA-N 1 0 224.304 2.265 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000294649868 385182601 /nfs/dbraw/zinc/18/26/01/385182601.db2.gz QMKFIRMQOAXVCY-CABCVRRESA-N 1 0 247.338 2.309 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000518787489 385158433 /nfs/dbraw/zinc/15/84/33/385158433.db2.gz GFOVHOPUWWDTKP-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCc1cccc(Cl)c1 ZINC000298116601 385163207 /nfs/dbraw/zinc/16/32/07/385163207.db2.gz OTWJJQYNSPDMMQ-SNVBAGLBSA-N 1 0 207.704 2.494 20 30 BEEDRO CC(=O)Nc1cccc(CN(C)[C@H](C)CC#N)c1 ZINC000129679573 385173649 /nfs/dbraw/zinc/17/36/49/385173649.db2.gz NOPAMDKJJMHZMY-LLVKDONJSA-N 1 0 245.326 2.379 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@@H]1CCCOC1 ZINC000107064586 385177297 /nfs/dbraw/zinc/17/72/97/385177297.db2.gz YSGMQYJIDNFXFF-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C[C@H](CNc1cccnc1C#N)C[NH+]1CCCC1 ZINC000130002176 385210967 /nfs/dbraw/zinc/21/09/67/385210967.db2.gz UNNCJYBLTMZEMR-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1ccc(F)cn1 ZINC000130004762 385211582 /nfs/dbraw/zinc/21/15/82/385211582.db2.gz LXWLSNSCEVHZGQ-SNVBAGLBSA-N 1 0 238.331 2.238 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000449487649 385228315 /nfs/dbraw/zinc/22/83/15/385228315.db2.gz ZUOCNWYMWOKMOX-DGCLKSJQSA-N 1 0 222.376 2.271 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CC)C(=O)NC ZINC000449782980 385234004 /nfs/dbraw/zinc/23/40/04/385234004.db2.gz ZLJCWQCJWCXFQQ-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CCC2(CC2)CC1 ZINC000308887733 385241501 /nfs/dbraw/zinc/24/15/01/385241501.db2.gz UTQYSTPHLWXTTN-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1c(C)cccc1C ZINC000153442096 385255355 /nfs/dbraw/zinc/25/53/55/385255355.db2.gz GKDKWXQPMDSDSI-UHFFFAOYSA-N 1 0 245.370 2.326 20 30 BEEDRO C[N@H+](CCCCC#N)CCc1nccs1 ZINC000157913740 385306641 /nfs/dbraw/zinc/30/66/41/385306641.db2.gz MYGWOTOPMUHKFH-UHFFFAOYSA-N 1 0 223.345 2.311 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cc(F)cc(OC)c1 ZINC000491256047 385258790 /nfs/dbraw/zinc/25/87/90/385258790.db2.gz ZFXDCSUATRLBQO-JTQLQIEISA-N 1 0 221.275 2.288 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404147256 385273313 /nfs/dbraw/zinc/27/33/13/385273313.db2.gz PAFTVDBPXJOOIZ-LBPRGKRZSA-N 1 0 216.259 2.199 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)CCCC(C)(C)C#N ZINC000308906482 385282331 /nfs/dbraw/zinc/28/23/31/385282331.db2.gz VPAWAYFYIWBCRR-NSHDSACASA-N 1 0 212.337 2.283 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)nc(Cl)c1 ZINC000491266630 385285807 /nfs/dbraw/zinc/28/58/07/385285807.db2.gz PYTHRQYNSLKZTN-SNVBAGLBSA-N 1 0 222.719 2.497 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000308920520 385292251 /nfs/dbraw/zinc/29/22/51/385292251.db2.gz CDOSMUIPLBRDBP-XQQFMLRXSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC12CCC2 ZINC000308942863 385300155 /nfs/dbraw/zinc/30/01/55/385300155.db2.gz QZIKRNUQGUKEJC-NWDGAFQWSA-N 1 0 209.333 2.093 20 30 BEEDRO CC#CC[N@@H+](C)C[C@@H](OC)c1ccc(F)cc1 ZINC000625450001 385300528 /nfs/dbraw/zinc/30/05/28/385300528.db2.gz RJYRDPVPRXSXPU-CQSZACIVSA-N 1 0 235.302 2.468 20 30 BEEDRO N#CCCC1CC[NH+](CC2(C#N)CC2)CC1 ZINC000563069863 385343097 /nfs/dbraw/zinc/34/30/97/385343097.db2.gz ZOLMQOOXQYYTSL-UHFFFAOYSA-N 1 0 217.316 2.306 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCS[C@H](CC)C1 ZINC000247659058 385360841 /nfs/dbraw/zinc/36/08/41/385360841.db2.gz XIFKAUALPYJGHH-NWDGAFQWSA-N 1 0 229.389 2.141 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)C1C(C)(C)C1(C)C ZINC000309013772 385368404 /nfs/dbraw/zinc/36/84/04/385368404.db2.gz SUGZKZYDSOZOES-NXEZZACHSA-N 1 0 211.349 2.194 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644008089 385371489 /nfs/dbraw/zinc/37/14/89/385371489.db2.gz PDIURXGQIWJBRO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000309048503 385381695 /nfs/dbraw/zinc/38/16/95/385381695.db2.gz PPJKJCIYNMSAOR-QWRGUYRKSA-N 1 0 213.321 2.130 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000177791317 533113234 /nfs/dbraw/zinc/11/32/34/533113234.db2.gz TWQUIKXIHRNRMN-OAHLLOKOSA-N 1 0 228.339 2.220 20 30 BEEDRO CC[N@H+](C)CCNc1ccc(F)cc1C#N ZINC000082516506 385326696 /nfs/dbraw/zinc/32/66/96/385326696.db2.gz ACLHWRUWPXYEOX-UHFFFAOYSA-N 1 0 221.279 2.061 20 30 BEEDRO Cc1c[nH]nc1CN(C)Cc1ccc(C#N)cc1 ZINC000290404854 385409361 /nfs/dbraw/zinc/40/93/61/385409361.db2.gz KTUKLJOYPLGNNI-UHFFFAOYSA-N 1 0 240.310 2.222 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000644801777 385411250 /nfs/dbraw/zinc/41/12/50/385411250.db2.gz PDRNOECOPXQGHO-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCOCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000644072534 385419120 /nfs/dbraw/zinc/41/91/20/385419120.db2.gz RCLKMSWZHWMHPZ-LLVKDONJSA-N 1 0 248.326 2.238 20 30 BEEDRO CN(C)C(=[NH2+])NCCc1ccc(C(C)(C)C)cc1 ZINC000170910784 385454370 /nfs/dbraw/zinc/45/43/70/385454370.db2.gz DBZUTGKDXJSAEJ-UHFFFAOYSA-N 1 0 247.386 2.403 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000170911159 385454499 /nfs/dbraw/zinc/45/44/99/385454499.db2.gz MJPXMRCAPOKHFF-QWHCGFSZSA-N 1 0 249.333 2.338 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000170911144 385455331 /nfs/dbraw/zinc/45/53/31/385455331.db2.gz VKAZAQCOSNWPOO-RYUDHWBXSA-N 1 0 249.333 2.384 20 30 BEEDRO CC[C@H]1C[C@H](C[NH2+]CCCC#N)CCO1 ZINC000309140096 385433424 /nfs/dbraw/zinc/43/34/24/385433424.db2.gz GWPQDOBNIQQANX-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cnccn1 ZINC000309216830 385485184 /nfs/dbraw/zinc/48/51/84/385485184.db2.gz UNKYXJLAKXFSHO-QWRGUYRKSA-N 1 0 205.305 2.482 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444733485 385491141 /nfs/dbraw/zinc/49/11/41/385491141.db2.gz XMBITGQDQIIECQ-QWRGUYRKSA-N 1 0 249.276 2.035 20 30 BEEDRO N#Cc1ccc(N2CCC([NH2+]C3CC3)CC2)cc1 ZINC000157297983 385496842 /nfs/dbraw/zinc/49/68/42/385496842.db2.gz CPXWLIWSKQMMIE-UHFFFAOYSA-N 1 0 241.338 2.279 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000448737802 385516741 /nfs/dbraw/zinc/51/67/41/385516741.db2.gz MWKQODQCUYQMJV-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000264817919 385592026 /nfs/dbraw/zinc/59/20/26/385592026.db2.gz CZOOITQKDCKMJB-ZDUSSCGKSA-N 1 0 232.327 2.055 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000595055917 385618663 /nfs/dbraw/zinc/61/86/63/385618663.db2.gz MQLIMVGYYKVMEZ-HUUCEWRRSA-N 1 0 239.322 2.383 20 30 BEEDRO CCOc1cncc(C[NH2+]CC2(CC#N)CC2)c1 ZINC000598639620 385624715 /nfs/dbraw/zinc/62/47/15/385624715.db2.gz PWLWVHCDIZGNDN-UHFFFAOYSA-N 1 0 245.326 2.264 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000309499873 385628096 /nfs/dbraw/zinc/62/80/96/385628096.db2.gz ZJHREPYYLIDTLY-QWHCGFSZSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1sc(C)nc1C ZINC000336681784 385639961 /nfs/dbraw/zinc/63/99/61/385639961.db2.gz DBRHWJRXSFYYAV-LLVKDONJSA-N 1 0 240.372 2.034 20 30 BEEDRO C=CCCCNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000336682965 385645164 /nfs/dbraw/zinc/64/51/64/385645164.db2.gz DIGIRVYVZQTUDK-LBPRGKRZSA-N 1 0 226.364 2.236 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000451076295 385645444 /nfs/dbraw/zinc/64/54/44/385645444.db2.gz GPGLTJGIEHPFDL-ZFWWWQNUSA-N 1 0 231.339 2.106 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ncc(C(C)C)s1 ZINC000184271933 385679480 /nfs/dbraw/zinc/67/94/80/385679480.db2.gz HFNZWNVGDXCNMY-SNVBAGLBSA-N 1 0 240.372 2.293 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000264885376 385692234 /nfs/dbraw/zinc/69/22/34/385692234.db2.gz VMDHSXQSDMHREB-BXUZGUMPSA-N 1 0 232.327 2.055 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000309564886 385695808 /nfs/dbraw/zinc/69/58/08/385695808.db2.gz LYBPQPLAFPFBOV-ZYHUDNBSSA-N 1 0 219.332 2.352 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)c1ccn(C)n1 ZINC000309566825 385697046 /nfs/dbraw/zinc/69/70/46/385697046.db2.gz MKBQYZXWUBJLNB-NSHDSACASA-N 1 0 220.320 2.155 20 30 BEEDRO CC[N@@H+]1CCCC[C@@H]1CNc1ncccc1C#N ZINC000264904471 385701680 /nfs/dbraw/zinc/70/16/80/385701680.db2.gz XDZXQQFZDVMCER-CYBMUJFWSA-N 1 0 244.342 2.240 20 30 BEEDRO CC#CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000336653209 385666867 /nfs/dbraw/zinc/66/68/67/385666867.db2.gz JAVRTNVYVRZIDS-UWVGGRQHSA-N 1 0 235.249 2.099 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000186706580 385785580 /nfs/dbraw/zinc/78/55/80/385785580.db2.gz GKYYXOQYXBPESZ-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO CC(C)(CCO)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185845386 385737818 /nfs/dbraw/zinc/73/78/18/385737818.db2.gz HLJDJVPFODSQMQ-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO CCCCOCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185802130 385739260 /nfs/dbraw/zinc/73/92/60/385739260.db2.gz RIDGABJEVCZBJT-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO CCCCOCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185802190 385740143 /nfs/dbraw/zinc/74/01/43/385740143.db2.gz RIDGABJEVCZBJT-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCC[C@H]1O ZINC000252725516 385786652 /nfs/dbraw/zinc/78/66/52/385786652.db2.gz MNDMZKITVXWZLG-HUUCEWRRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(C#N)s1 ZINC000398356723 385764041 /nfs/dbraw/zinc/76/40/41/385764041.db2.gz BVKPBMMSUVHPIC-JTQLQIEISA-N 1 0 238.356 2.260 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)C1CCSCC1 ZINC000336656644 385787112 /nfs/dbraw/zinc/78/71/12/385787112.db2.gz ORAHAHKVHCGXER-JTQLQIEISA-N 1 0 212.362 2.411 20 30 BEEDRO CC#CC[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000309649044 385767670 /nfs/dbraw/zinc/76/76/70/385767670.db2.gz XCCPCJUVIBZJBE-GFCCVEGCSA-N 1 0 219.332 2.120 20 30 BEEDRO CC[NH+](CC)CCNc1snc(C)c1C#N ZINC000086254455 385769422 /nfs/dbraw/zinc/76/94/22/385769422.db2.gz JOAPGYMTNMJDEE-UHFFFAOYSA-N 1 0 238.360 2.077 20 30 BEEDRO COCC#CC[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000645250241 385775563 /nfs/dbraw/zinc/77/55/63/385775563.db2.gz JMOMEYBNTOEIEB-CHWSQXEVSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000186698388 385782762 /nfs/dbraw/zinc/78/27/62/385782762.db2.gz UPEOLIZJUHLOCI-FZMZJTMJSA-N 1 0 230.311 2.146 20 30 BEEDRO CSC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336656675 385785470 /nfs/dbraw/zinc/78/54/70/385785470.db2.gz OSKGKRYHYVJYEY-NXEZZACHSA-N 1 0 210.346 2.164 20 30 BEEDRO Cn1ccc(C[NH2+]CCc2cccc(C#N)c2)c1 ZINC000341469106 385800466 /nfs/dbraw/zinc/80/04/66/385800466.db2.gz BEMNKVKVVVXYDY-UHFFFAOYSA-N 1 0 239.322 2.229 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1CCN(C2CC2)CC1 ZINC000602508526 385801250 /nfs/dbraw/zinc/80/12/50/385801250.db2.gz UMXYDNAUOPNGOA-GFCCVEGCSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)[C@H]1CC1(F)F ZINC000602542438 385806304 /nfs/dbraw/zinc/80/63/04/385806304.db2.gz XLGKMWSHALCPDF-RKDXNWHRSA-N 1 0 202.248 2.314 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000602687058 385813977 /nfs/dbraw/zinc/81/39/77/385813977.db2.gz HQSVCLIEHQIKHR-DCAQKATOSA-N 1 0 210.346 2.116 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000521428395 385817787 /nfs/dbraw/zinc/81/77/87/385817787.db2.gz QGXYSEDAZBRDHT-DZGCQCFKSA-N 1 0 231.339 2.154 20 30 BEEDRO N#CCC1(CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000602776861 385821204 /nfs/dbraw/zinc/82/12/04/385821204.db2.gz FGWCPLHJMQQHFY-CQSZACIVSA-N 1 0 247.386 2.098 20 30 BEEDRO C[C@@H]1C[NH+](CC2(C)CCC2)C[C@@H](C)N1CC#N ZINC000602853770 385826795 /nfs/dbraw/zinc/82/67/95/385826795.db2.gz LLRYYLYBRXJEFL-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C[N@H+](CCC1(O)CCC1)Cc1cccc(C#N)c1 ZINC000396763397 385835215 /nfs/dbraw/zinc/83/52/15/385835215.db2.gz NIIMZYPLCCGCAF-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCOc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000414874227 385883942 /nfs/dbraw/zinc/88/39/42/385883942.db2.gz YVQLDLGHUGVEDZ-CQSZACIVSA-N 1 0 246.354 2.093 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451909760 385894608 /nfs/dbraw/zinc/89/46/08/385894608.db2.gz LTIMIEQJTUWBTD-CQSZACIVSA-N 1 0 239.359 2.082 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182433705 385862272 /nfs/dbraw/zinc/86/22/72/385862272.db2.gz REJLPFADWSMUKL-QWRGUYRKSA-N 1 0 218.300 2.244 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](OCC)[C@H](C)C1 ZINC000451542463 385867031 /nfs/dbraw/zinc/86/70/31/385867031.db2.gz NPHRJEMCDGVHII-HZSPNIEDSA-N 1 0 241.375 2.060 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C3CCC3)cc2)N1 ZINC000262690064 385874577 /nfs/dbraw/zinc/87/45/77/385874577.db2.gz ZXWJXXZVYYJNPE-LLVKDONJSA-N 1 0 243.354 2.391 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000414134224 385980848 /nfs/dbraw/zinc/98/08/48/385980848.db2.gz GOEHRIZAIRBCHW-NSHDSACASA-N 1 0 219.332 2.446 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H](CC(F)(F)F)C1 ZINC000643253794 385990876 /nfs/dbraw/zinc/99/08/76/385990876.db2.gz VOVGBXSQSJGBOP-NSHDSACASA-N 1 0 249.276 2.301 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC12CCCC2 ZINC000189219664 385951030 /nfs/dbraw/zinc/95/10/30/385951030.db2.gz LLEWHEYFOJHPEE-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(=O)N(C)CC ZINC000189411311 385993621 /nfs/dbraw/zinc/99/36/21/385993621.db2.gz QUHSFJUTTOZUKX-QJPTWQEYSA-N 1 0 226.364 2.044 20 30 BEEDRO CC1(C)C[C@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)O1 ZINC000189231432 385953948 /nfs/dbraw/zinc/95/39/48/385953948.db2.gz AKLOTBNXZCBQLA-RYUDHWBXSA-N 1 0 249.358 2.366 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C(C)(C)O1 ZINC000189231457 385955471 /nfs/dbraw/zinc/95/54/71/385955471.db2.gz AKLOTBNXZCBQLA-NWDGAFQWSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000393884979 385965438 /nfs/dbraw/zinc/96/54/38/385965438.db2.gz RABOIBJRJRRVGF-CHWSQXEVSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000373914518 533152627 /nfs/dbraw/zinc/15/26/27/533152627.db2.gz WRLYOJJCJZBPOP-BARDWOONSA-N 1 0 235.371 2.271 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1ccn(C)n1 ZINC000414122134 385971562 /nfs/dbraw/zinc/97/15/62/385971562.db2.gz AWYSQPGBTUEJII-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1ccn(C)n1 ZINC000414154301 386004369 /nfs/dbraw/zinc/00/43/69/386004369.db2.gz SBCJDHSRLOCFEA-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)C(F)(F)F ZINC000336752801 386018328 /nfs/dbraw/zinc/01/83/28/386018328.db2.gz HEBJAJCWNUUTHG-HLTSFMKQSA-N 1 0 220.238 2.467 20 30 BEEDRO Cn1ccnc1[C@@H]([NH2+]CC(C)(C)CC#N)C1CC1 ZINC000414175947 386018905 /nfs/dbraw/zinc/01/89/05/386018905.db2.gz ZWKADUOGUJUOQF-LBPRGKRZSA-N 1 0 246.358 2.401 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000182017229 386022901 /nfs/dbraw/zinc/02/29/01/386022901.db2.gz BNNVLXVTRGTMLY-LLVKDONJSA-N 1 0 218.300 2.025 20 30 BEEDRO COCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000414202550 386040888 /nfs/dbraw/zinc/04/08/88/386040888.db2.gz MZIIENPJYRYQTC-YNEHKIRRSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414164672 386048180 /nfs/dbraw/zinc/04/81/80/386048180.db2.gz KNLVEMKJGBCLPB-JTQLQIEISA-N 1 0 234.347 2.319 20 30 BEEDRO CCn1cc([C@H](C)[NH2+]CC(C)(C)CC#N)cn1 ZINC000414164945 386048593 /nfs/dbraw/zinc/04/85/93/386048593.db2.gz KYFMCNZEPYIGOK-NSHDSACASA-N 1 0 234.347 2.493 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)CC#N)c1nccn1C ZINC000414164144 386048705 /nfs/dbraw/zinc/04/87/05/386048705.db2.gz JRNUOXAJYVYLPU-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO COC[C@H]([NH2+]CC(C)(C)CC#N)C(C)C ZINC000414167823 386050841 /nfs/dbraw/zinc/05/08/41/386050841.db2.gz PTWAUNYNZQYESR-NSHDSACASA-N 1 0 212.337 2.187 20 30 BEEDRO CO[C@@H](C)CN1CCCC(C)(C)[C@@H]1C#N ZINC000334454112 386103091 /nfs/dbraw/zinc/10/30/91/386103091.db2.gz UYFHXMJIFPPJLS-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000190952700 386106513 /nfs/dbraw/zinc/10/65/13/386106513.db2.gz KUPCIWNKHHSIKJ-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000334443658 386066627 /nfs/dbraw/zinc/06/66/27/386066627.db2.gz FHSLPYQTFLBREC-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000345272661 386068198 /nfs/dbraw/zinc/06/81/98/386068198.db2.gz SOHRMZYEEPWIHM-JSGCOSHPSA-N 1 0 249.354 2.014 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](CO)CC=C ZINC000336772634 386071090 /nfs/dbraw/zinc/07/10/90/386071090.db2.gz YFALTHDHQGAGIV-AVGNSLFASA-N 1 0 211.349 2.361 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CS1 ZINC000414231539 386077624 /nfs/dbraw/zinc/07/76/24/386077624.db2.gz PHUBVGZWGPGIIN-ZNSHCXBVSA-N 1 0 210.346 2.162 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@H](C)O1 ZINC000414263612 386083961 /nfs/dbraw/zinc/08/39/61/386083961.db2.gz PJTMGQMDSNMMKO-XVIXHAIJSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)[C@H](C)O1 ZINC000414266243 386086873 /nfs/dbraw/zinc/08/68/73/386086873.db2.gz RTIIYYUFOFMZEF-KSSYENDESA-N 1 0 222.332 2.082 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000234674324 386088979 /nfs/dbraw/zinc/08/89/79/386088979.db2.gz SGFZRPJLXDVGST-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)[C@@H](C)CO1 ZINC000334589202 386092815 /nfs/dbraw/zinc/09/28/15/386092815.db2.gz KNEPRBPRPZBLLX-QWHCGFSZSA-N 1 0 244.338 2.362 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425473852 386147436 /nfs/dbraw/zinc/14/74/36/386147436.db2.gz IWOFQNAAOKWTHD-CYBMUJFWSA-N 1 0 210.365 2.225 20 30 BEEDRO C=CCCC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000425475545 386149813 /nfs/dbraw/zinc/14/98/13/386149813.db2.gz JWYTVYHWRNXZCV-CYBMUJFWSA-N 1 0 210.365 2.225 20 30 BEEDRO CN(C)C(C)(C)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500121 386162170 /nfs/dbraw/zinc/16/21/70/386162170.db2.gz ZPLRYFVTSALRFH-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO CCC(CC)(CO)[NH2+]Cc1cc(C#N)cs1 ZINC000086500326 386162387 /nfs/dbraw/zinc/16/23/87/386162387.db2.gz RLIABWYLHMGHSD-UHFFFAOYSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@H](OC)C1CC1 ZINC000425490465 386169700 /nfs/dbraw/zinc/16/97/00/386169700.db2.gz YXHNVCXZKUOPIU-STQMWFEESA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)CNC(=O)Nc1ccccc1C[NH2+]C ZINC000415929064 386172222 /nfs/dbraw/zinc/17/22/22/386172222.db2.gz YJZLYFDSUBFPLL-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO C[C@@H](O)C[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000164648855 386174209 /nfs/dbraw/zinc/17/42/09/386174209.db2.gz MPCICZKDMHPRQO-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO CS[C@@H](CO)[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000164629394 386174491 /nfs/dbraw/zinc/17/44/91/386174491.db2.gz JCGNPJHZHKGHMN-MNOVXSKESA-N 1 0 244.404 2.018 20 30 BEEDRO C=CCCCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416013677 386177738 /nfs/dbraw/zinc/17/77/38/386177738.db2.gz RYOOQHKAKUKYEC-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2ccoc2C)CC1 ZINC000414332261 386128421 /nfs/dbraw/zinc/12/84/21/386128421.db2.gz LIRMSNJYQHTDCF-UHFFFAOYSA-N 1 0 234.343 2.328 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCS(=O)(=O)CC ZINC000414338298 386129332 /nfs/dbraw/zinc/12/93/32/386129332.db2.gz KCAJSWNMOLPYSI-NWDGAFQWSA-N 1 0 247.404 2.002 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1cccc(C#N)n1 ZINC000267251278 386221200 /nfs/dbraw/zinc/22/12/00/386221200.db2.gz UOLIIQSRWVGWCL-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C=CCC[N@H+](C)CCOCC(F)(F)C(F)F ZINC000347134730 386239066 /nfs/dbraw/zinc/23/90/66/386239066.db2.gz SICXBBXTVSIUAK-UHFFFAOYSA-N 1 0 243.244 2.411 20 30 BEEDRO CC(C)(O)C[N@H+](CCC(C)(C)C#N)C1CC1 ZINC000347199982 386280798 /nfs/dbraw/zinc/28/07/98/386280798.db2.gz CMECIVNTCXGYBJ-UHFFFAOYSA-N 1 0 224.348 2.162 20 30 BEEDRO CCC(CC)(CO)CNC(=[NH2+])Nc1ccccc1 ZINC000133358732 386310131 /nfs/dbraw/zinc/31/01/31/386310131.db2.gz XKIJHJKNOCTKMV-UHFFFAOYSA-N 1 0 249.358 2.212 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N2CCCC2)[C@@H]1C ZINC000347346966 386340993 /nfs/dbraw/zinc/34/09/93/386340993.db2.gz QOMSWCLZKGDPRK-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000181310820 386347351 /nfs/dbraw/zinc/34/73/51/386347351.db2.gz GHVDWCJTIYVRSN-NSHDSACASA-N 1 0 246.310 2.480 20 30 BEEDRO C=CCN(CCc1ccco1)Cc1c[nH]cn1 ZINC000280226181 386351823 /nfs/dbraw/zinc/35/18/23/386351823.db2.gz LVBLDDZHRQOMJY-UHFFFAOYSA-N 1 0 231.299 2.233 20 30 BEEDRO C[C@]1(F)CC[N@H+](CCCSCC#N)C1 ZINC000347361813 386366499 /nfs/dbraw/zinc/36/64/99/386366499.db2.gz WEFYZXQEBFRVKN-JTQLQIEISA-N 1 0 216.325 2.067 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000280632691 386367309 /nfs/dbraw/zinc/36/73/09/386367309.db2.gz MIJXOUIDKIHQGV-RISCZKNCSA-N 1 0 246.310 2.222 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000280709115 386370907 /nfs/dbraw/zinc/37/09/07/386370907.db2.gz JCNCQZXAAFKCAP-UHFFFAOYSA-N 1 0 248.370 2.229 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(COC)c1 ZINC000191761022 386447514 /nfs/dbraw/zinc/44/75/14/386447514.db2.gz WYAZGOXJKRNGAQ-UHFFFAOYSA-N 1 0 249.354 2.467 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1ccc(C)nn1 ZINC000414428062 386410172 /nfs/dbraw/zinc/41/01/72/386410172.db2.gz AVJYSKNKSJBEDU-LLVKDONJSA-N 1 0 205.305 2.229 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C)nn1 ZINC000414428065 386410628 /nfs/dbraw/zinc/41/06/28/386410628.db2.gz AVJYSKNKSJBEDU-NSHDSACASA-N 1 0 205.305 2.229 20 30 BEEDRO Cc1cc(N2CCC[C@H]2C[C@@H](C)O)c(C#N)cn1 ZINC000398996103 386410884 /nfs/dbraw/zinc/41/08/84/386410884.db2.gz PIYPGUXRAGPFJL-YPMHNXCESA-N 1 0 245.326 2.001 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CCC[C@]2(CCOC2)O1 ZINC001645310333 1172651262 /nfs/dbraw/zinc/65/12/62/1172651262.db2.gz ZRTDGPZDELQGER-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399117676 386414180 /nfs/dbraw/zinc/41/41/80/386414180.db2.gz GOPHBYVMUSGWIB-SWLSCSKDSA-N 1 0 244.338 2.410 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(CC)nc1 ZINC000414429700 386423972 /nfs/dbraw/zinc/42/39/72/386423972.db2.gz DAUIBDHSQFSPNK-UHFFFAOYSA-N 1 0 205.305 2.095 20 30 BEEDRO C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442712241 386528605 /nfs/dbraw/zinc/52/86/05/386528605.db2.gz UKKFIVQJMUDOSM-HZSPNIEDSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCCC[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000193056571 386530591 /nfs/dbraw/zinc/53/05/91/386530591.db2.gz JGSPXIKJJZOWAR-CYBMUJFWSA-N 1 0 227.348 2.428 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(C(=O)OC(C)C)cc1 ZINC000192237119 386488336 /nfs/dbraw/zinc/48/83/36/386488336.db2.gz FJBRASKESKMCTC-UHFFFAOYSA-N 1 0 245.322 2.317 20 30 BEEDRO Cc1occc1C[NH2+]CC1(CC#N)CC1 ZINC000414445567 386497472 /nfs/dbraw/zinc/49/74/72/386497472.db2.gz MTHMAHCWOKHYMB-UHFFFAOYSA-N 1 0 204.273 2.372 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCCOC1 ZINC000336733254 386506530 /nfs/dbraw/zinc/50/65/30/386506530.db2.gz GLKGLNKSXDEVER-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]1CCCN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000442710838 386523503 /nfs/dbraw/zinc/52/35/03/386523503.db2.gz QWOHZUQILDPFAJ-HZSPNIEDSA-N 1 0 235.375 2.000 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cn2cc(C)ccc2n1 ZINC000336780069 386523578 /nfs/dbraw/zinc/52/35/78/386523578.db2.gz QGXSXYXUJAKWAM-NSHDSACASA-N 1 0 215.300 2.307 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000320150948 386525762 /nfs/dbraw/zinc/52/57/62/386525762.db2.gz CUDZYRCDSSVGAO-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000320150947 386527046 /nfs/dbraw/zinc/52/70/46/386527046.db2.gz CUDZYRCDSSVGAO-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(F)c1 ZINC000335286640 386461047 /nfs/dbraw/zinc/46/10/47/386461047.db2.gz YUIYNQVWTVGQAZ-GXFFZTMASA-N 1 0 243.285 2.479 20 30 BEEDRO Cc1cc(C#N)cc(N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000161761029 386461168 /nfs/dbraw/zinc/46/11/68/386461168.db2.gz CRAXAYGSTVPEFT-OLZOCXBDSA-N 1 0 244.342 2.191 20 30 BEEDRO C=C(C)C[NH2+][C@]1(C)CCCC[C@H]1C(=O)OC ZINC000336757087 386593036 /nfs/dbraw/zinc/59/30/36/386593036.db2.gz HLYULULCGPMCPT-WCQYABFASA-N 1 0 225.332 2.274 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OC)c(OCC)c1 ZINC000123005967 386536830 /nfs/dbraw/zinc/53/68/30/386536830.db2.gz NRRLOHMDKGMAPE-NSHDSACASA-N 1 0 233.311 2.205 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC(C)(C)CCC[NH3+] ZINC000519707320 386540410 /nfs/dbraw/zinc/54/04/10/386540410.db2.gz TYPQKEGWQDHVJT-NSHDSACASA-N 1 0 226.364 2.222 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccs1 ZINC000336644857 386596857 /nfs/dbraw/zinc/59/68/57/386596857.db2.gz ATBVNNKEJPKIFP-SNVBAGLBSA-N 1 0 211.330 2.022 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(C)nn1 ZINC000414454439 386553639 /nfs/dbraw/zinc/55/36/39/386553639.db2.gz QQXMVXHIAOOAKY-UHFFFAOYSA-N 1 0 219.332 2.477 20 30 BEEDRO C[C@@H](Nc1ncccc1C#N)C(C)(C)C[NH+](C)C ZINC000301332056 386655528 /nfs/dbraw/zinc/65/55/28/386655528.db2.gz DZVMMNQLBBXYMY-LLVKDONJSA-N 1 0 246.358 2.341 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425554439 386628994 /nfs/dbraw/zinc/62/89/94/386628994.db2.gz WCVHBSAGIIXHBG-VXGBXAGGSA-N 1 0 234.347 2.339 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 ZINC000328868168 386638624 /nfs/dbraw/zinc/63/86/24/386638624.db2.gz XIBWJNSYCOQODC-MOLYVOAJSA-N 1 0 247.342 2.314 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)C1 ZINC000185714931 386641802 /nfs/dbraw/zinc/64/18/02/386641802.db2.gz BOWXXMKYZUFBSQ-SYQHCUMBSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417377421 386647144 /nfs/dbraw/zinc/64/71/44/386647144.db2.gz DFCAZXSFONFPRD-GHMZBOCLSA-N 1 0 232.318 2.270 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cc(C)nn1C ZINC000417747934 386647937 /nfs/dbraw/zinc/64/79/37/386647937.db2.gz RSNVVOVBKUUVHT-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000520245557 386616267 /nfs/dbraw/zinc/61/62/67/386616267.db2.gz VLMPWVFRPZVOFX-NWDGAFQWSA-N 1 0 226.364 2.078 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000645012114 386668957 /nfs/dbraw/zinc/66/89/57/386668957.db2.gz RNJDBPRSMJYGPB-ZBFHGGJFSA-N 1 0 245.366 2.324 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185795577 386685268 /nfs/dbraw/zinc/68/52/68/386685268.db2.gz IFGPWUXZVWIZNU-AVGNSLFASA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccsc1 ZINC000336648653 386687199 /nfs/dbraw/zinc/68/71/99/386687199.db2.gz GXNVMWTYVRRNTL-SNVBAGLBSA-N 1 0 211.330 2.022 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000185817604 386692424 /nfs/dbraw/zinc/69/24/24/386692424.db2.gz AEWCIZFUKXYSCL-KXMPLOMGSA-N 1 0 236.340 2.036 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccc(C#N)cc1F ZINC000358566040 386704815 /nfs/dbraw/zinc/70/48/15/386704815.db2.gz IBGMIDXWBWENHZ-ZYHUDNBSSA-N 1 0 248.301 2.384 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)C1CCCC1 ZINC000645078840 386705369 /nfs/dbraw/zinc/70/53/69/386705369.db2.gz ZPSOBLCQVAHOKQ-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCCCC(=O)N(CCC)CC[NH+](C)C ZINC000344837594 386759645 /nfs/dbraw/zinc/75/96/45/386759645.db2.gz XDHAGDCPEPOBNW-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336665334 386767226 /nfs/dbraw/zinc/76/72/26/386767226.db2.gz LNGLXDUFKYTFIG-WOPDTQHZSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](CC)[C@H](C)CO)c1 ZINC000292880283 386742926 /nfs/dbraw/zinc/74/29/26/386742926.db2.gz XPEOFULPWZSABY-CYBMUJFWSA-N 1 0 249.354 2.454 20 30 BEEDRO C=CC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000334749296 386814778 /nfs/dbraw/zinc/81/47/78/386814778.db2.gz AHRMGLKJRGSOQB-NWDGAFQWSA-N 1 0 207.317 2.206 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334773401 386824664 /nfs/dbraw/zinc/82/46/64/386824664.db2.gz SKNRRIACCLENSI-NEPJUHHUSA-N 1 0 238.375 2.140 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCCCOC ZINC000044656488 533197823 /nfs/dbraw/zinc/19/78/23/533197823.db2.gz AOCIVAOIBMTSAZ-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO Cc1ncccc1C[NH2+]CC1(CC#N)CC1 ZINC000336673268 386828457 /nfs/dbraw/zinc/82/84/57/386828457.db2.gz HSHDVQLXMMTLSM-UHFFFAOYSA-N 1 0 215.300 2.174 20 30 BEEDRO Cn1cc([C@H]([NH2+]CCCC#N)C(C)(C)C)cn1 ZINC000330691902 386832710 /nfs/dbraw/zinc/83/27/10/386832710.db2.gz AHFZRHOAROULKE-LBPRGKRZSA-N 1 0 234.347 2.401 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC1CC1 ZINC000020086212 533196717 /nfs/dbraw/zinc/19/67/17/533196717.db2.gz NNBQFKUVZALMAI-UHFFFAOYSA-N 1 0 215.296 2.198 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](CC)OC ZINC000289866943 533196739 /nfs/dbraw/zinc/19/67/39/533196739.db2.gz QVCXYKJAUCVTTH-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(OC)ccc1F ZINC000645171630 386837016 /nfs/dbraw/zinc/83/70/16/386837016.db2.gz UFMJSWANDOJQAU-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO C=CCN1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000425339741 386839298 /nfs/dbraw/zinc/83/92/98/386839298.db2.gz CWRNSGPPCNGLGW-STQMWFEESA-N 1 0 240.416 2.120 20 30 BEEDRO C=CCCCC[NH2+]Cc1cc(C)nn1C ZINC000336673876 386841250 /nfs/dbraw/zinc/84/12/50/386841250.db2.gz GUXKLCNDKXWNLR-UHFFFAOYSA-N 1 0 207.321 2.174 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425340441 386841812 /nfs/dbraw/zinc/84/18/12/386841812.db2.gz FALGHCIOYSHLMI-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CCO)c1ccco1 ZINC000336674648 386847106 /nfs/dbraw/zinc/84/71/06/386847106.db2.gz AGBMUKSVWMDYMA-LLVKDONJSA-N 1 0 209.289 2.259 20 30 BEEDRO C#CC[N@H+](CC1=CCCOC1)C1CCCC1 ZINC000093819819 386848752 /nfs/dbraw/zinc/84/87/52/386848752.db2.gz IIEYWEGXSPGVQI-UHFFFAOYSA-N 1 0 219.328 2.211 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000425348752 386866376 /nfs/dbraw/zinc/86/63/76/386866376.db2.gz ZUTMSVDHYANFHZ-MEBFFEOJSA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000334831126 386867127 /nfs/dbraw/zinc/86/71/27/386867127.db2.gz PJTBXOPQDBXBSP-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO COC1CC(C[NH2+][C@H](C)CCCC#N)C1 ZINC001172490642 974837537 /nfs/dbraw/zinc/83/75/37/974837537.db2.gz JMPZKVYFNLZACE-VOMCLLRMSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CCO1 ZINC000582176156 386938183 /nfs/dbraw/zinc/93/81/83/386938183.db2.gz FDTYFAIWDPUSFK-RDBSUJKOSA-N 1 0 249.358 2.223 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CC[C@@H]1SC ZINC000425364241 386973158 /nfs/dbraw/zinc/97/31/58/386973158.db2.gz XGYISHLCMRWHGF-ZJUUUORDSA-N 1 0 217.403 2.389 20 30 BEEDRO CCN1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000334912981 386985527 /nfs/dbraw/zinc/98/55/27/386985527.db2.gz NXKHLOQADXUZML-GXTWGEPZSA-N 1 0 235.375 2.143 20 30 BEEDRO CCN1CCC([NH2+][C@H]2CCC[C@H](C#N)C2)CC1 ZINC000334912982 386985971 /nfs/dbraw/zinc/98/59/71/386985971.db2.gz NXKHLOQADXUZML-JSGCOSHPSA-N 1 0 235.375 2.143 20 30 BEEDRO CCN1CCC([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1 ZINC000334912984 386986193 /nfs/dbraw/zinc/98/61/93/386986193.db2.gz NXKHLOQADXUZML-TZMCWYRMSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ncc(C(=O)OC)s1 ZINC000314742919 386994849 /nfs/dbraw/zinc/99/48/49/386994849.db2.gz WYPGMAJVYKGGNV-QMMMGPOBSA-N 1 0 240.328 2.156 20 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223.364 2.141 20 30 BEEDRO C=CCOc1cccc(NC(=O)CCCC[NH3+])c1 ZINC000514601323 387010108 /nfs/dbraw/zinc/01/01/08/387010108.db2.gz ZRZFEFXOEJSHPU-UHFFFAOYSA-N 1 0 248.326 2.319 20 30 BEEDRO C[C@@H]([NH3+])C[C@H](C)Nc1nccc(C#N)c1Cl ZINC000320931233 387011395 /nfs/dbraw/zinc/01/13/95/387011395.db2.gz SJTAJEFCKVDBJI-SFYZADRCSA-N 1 0 238.722 2.144 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC000334941959 387018333 /nfs/dbraw/zinc/01/83/33/387018333.db2.gz RWLPBRTUOVXUSG-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000334941960 387018706 /nfs/dbraw/zinc/01/87/06/387018706.db2.gz RWLPBRTUOVXUSG-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CO1 ZINC000418078122 387090327 /nfs/dbraw/zinc/09/03/27/387090327.db2.gz NNFNSPIXOFRXOF-SRVKXCTJSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000425971991 387098955 /nfs/dbraw/zinc/09/89/55/387098955.db2.gz URMQIKKZZYEIEW-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188851425 387100426 /nfs/dbraw/zinc/10/04/26/387100426.db2.gz WAYZOCVWLLHVOV-RYUDHWBXSA-N 1 0 224.348 2.067 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000188802883 387104406 /nfs/dbraw/zinc/10/44/06/387104406.db2.gz RWCDKIKYRUZWGM-UHFFFAOYSA-N 1 0 245.370 2.212 20 30 BEEDRO N#Cc1cc(NCCCC[NH3+])nc2ccccc12 ZINC000068769667 387108721 /nfs/dbraw/zinc/10/87/21/387108721.db2.gz DJUZVGGJDLBXCO-UHFFFAOYSA-N 1 0 240.310 2.257 20 30 BEEDRO CC[NH+](CC)CC(=O)Nc1cc(C)cc(C#N)c1 ZINC000456965037 387114300 /nfs/dbraw/zinc/11/43/00/387114300.db2.gz MDLYSLWUEKYJPW-UHFFFAOYSA-N 1 0 245.326 2.147 20 30 BEEDRO CCOC(=O)C[C@@](C)([NH2+]CCCC#N)C(C)C ZINC000186708353 387126434 /nfs/dbraw/zinc/12/64/34/387126434.db2.gz LECWTVUVAJGEHC-CYBMUJFWSA-N 1 0 240.347 2.248 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)c(F)c1 ZINC000230162677 387146833 /nfs/dbraw/zinc/14/68/33/387146833.db2.gz HEKKMJSVVLHOGH-LLVKDONJSA-N 1 0 248.301 2.214 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000418138139 387175221 /nfs/dbraw/zinc/17/52/21/387175221.db2.gz GAMPYGWKPSYSSS-OLZOCXBDSA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404535508 387209009 /nfs/dbraw/zinc/20/90/09/387209009.db2.gz CGNUYDWWEJZTQL-ZJUUUORDSA-N 1 0 236.290 2.210 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404535500 387209387 /nfs/dbraw/zinc/20/93/87/387209387.db2.gz CGNUYDWWEJZTQL-NXEZZACHSA-N 1 0 236.290 2.210 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000424652920 387235362 /nfs/dbraw/zinc/23/53/62/387235362.db2.gz FXYVKMOKOVYNDG-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO CCN(CCC#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000230202589 387247379 /nfs/dbraw/zinc/24/73/79/387247379.db2.gz RWLBTPXPLVUPJK-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(COC)c1 ZINC000321503939 387267469 /nfs/dbraw/zinc/26/74/69/387267469.db2.gz VEFOIXBCQPUCPH-HNNXBMFYSA-N 1 0 249.354 2.250 20 30 BEEDRO CCCCCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189275213 387277288 /nfs/dbraw/zinc/27/72/88/387277288.db2.gz CMGVNUBUYGLVRE-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191237549 387355879 /nfs/dbraw/zinc/35/58/79/387355879.db2.gz ZDUFDYJIEFYLEO-SNVBAGLBSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@@H](CNc1cccnc1C#N)C[NH+]1CCCC1 ZINC000130001939 387358317 /nfs/dbraw/zinc/35/83/17/387358317.db2.gz UNNCJYBLTMZEMR-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000611382029 387324887 /nfs/dbraw/zinc/32/48/87/387324887.db2.gz FRWMGGARIFVFEH-BXUZGUMPSA-N 1 0 230.311 2.146 20 30 BEEDRO CCc1nn(C)cc1CN(C[C@@H](C)C#N)C1CC1 ZINC000611416567 387330200 /nfs/dbraw/zinc/33/02/00/387330200.db2.gz MVFLBZKDEQZBEI-NSHDSACASA-N 1 0 246.358 2.107 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H]1CCC[C@@H]1O ZINC000270096604 387335271 /nfs/dbraw/zinc/33/52/71/387335271.db2.gz KRZYRPLZYREFDP-GJZGRUSLSA-N 1 0 244.338 2.151 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000572355211 387341286 /nfs/dbraw/zinc/34/12/86/387341286.db2.gz JKDMVHJMGUYQGB-VJTDZRGJSA-N 1 0 239.359 2.123 20 30 BEEDRO CC#CCC[NH2+]Cc1cc(F)ccc1F ZINC000165127224 387349713 /nfs/dbraw/zinc/34/97/13/387349713.db2.gz NANGLDNVRHRXQM-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCC[C@H]1O ZINC000352661762 387426738 /nfs/dbraw/zinc/42/67/38/387426738.db2.gz UZAMJOYHQSAXBO-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@H]1CCC[C@@H]1O ZINC000352668597 387429293 /nfs/dbraw/zinc/42/92/93/387429293.db2.gz TUFVAFWIOUTIOJ-GJZGRUSLSA-N 1 0 247.313 2.022 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)[C@@H]1CCC[C@@H]1O ZINC000352668596 387430217 /nfs/dbraw/zinc/43/02/17/387430217.db2.gz TUFVAFWIOUTIOJ-CABCVRRESA-N 1 0 247.313 2.022 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1 ZINC000352672632 387431616 /nfs/dbraw/zinc/43/16/16/387431616.db2.gz VJOYUAFAHNIAEF-VHSXEESVSA-N 1 0 237.265 2.055 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1 ZINC000352672633 387433038 /nfs/dbraw/zinc/43/30/38/387433038.db2.gz VJOYUAFAHNIAEF-ZJUUUORDSA-N 1 0 237.265 2.055 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000271322227 387444135 /nfs/dbraw/zinc/44/41/35/387444135.db2.gz CGYNLNHOQXLPQO-CYBMUJFWSA-N 1 0 246.358 2.062 20 30 BEEDRO C=C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000271878138 387448975 /nfs/dbraw/zinc/44/89/75/387448975.db2.gz BKWVUQYGHIZPBJ-CABCVRRESA-N 1 0 229.323 2.297 20 30 BEEDRO C#CC[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000264167739 387387791 /nfs/dbraw/zinc/38/77/91/387387791.db2.gz HCXFQFCQKYPURE-LBPRGKRZSA-N 1 0 203.260 2.248 20 30 BEEDRO C#CC[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000265355090 387393841 /nfs/dbraw/zinc/39/38/41/387393841.db2.gz GALUBTKLFNVDSS-UHFFFAOYSA-N 1 0 217.287 2.466 20 30 BEEDRO C#CC[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000265617409 387397254 /nfs/dbraw/zinc/39/72/54/387397254.db2.gz ABMFMDWQXLWODZ-UHFFFAOYSA-N 1 0 237.306 2.285 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc([N+](=O)[O-])c1C ZINC000266887302 387404659 /nfs/dbraw/zinc/40/46/59/387404659.db2.gz BVUHMBCNPXWJMA-UHFFFAOYSA-N 1 0 232.283 2.358 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(NC(C)=O)c1 ZINC000267321012 387409943 /nfs/dbraw/zinc/40/99/43/387409943.db2.gz OPBVFPXHEMOJBH-UHFFFAOYSA-N 1 0 230.311 2.100 20 30 BEEDRO C=C(Cl)CN1CCC(n2ccnc2)CC1 ZINC000267498396 387410700 /nfs/dbraw/zinc/41/07/00/387410700.db2.gz SBKXBELHNLTSGY-UHFFFAOYSA-N 1 0 225.723 2.273 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)Cc1ccoc1 ZINC000648510076 387494496 /nfs/dbraw/zinc/49/44/96/387494496.db2.gz UCMUOVSSQQHANL-LLVKDONJSA-N 1 0 209.289 2.003 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000516278510 387495835 /nfs/dbraw/zinc/49/58/35/387495835.db2.gz WCGGADWGBAKUPK-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)N(CCC#N)Cc1cncs1 ZINC000162704917 387498901 /nfs/dbraw/zinc/49/89/01/387498901.db2.gz KUZREPLZLJXYIU-UHFFFAOYSA-N 1 0 209.318 2.267 20 30 BEEDRO C[NH+](C)C[C@@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000293203154 387510837 /nfs/dbraw/zinc/51/08/37/387510837.db2.gz XETDKIQLQBMCSF-NSHDSACASA-N 1 0 247.317 2.085 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000192708307 387523050 /nfs/dbraw/zinc/52/30/50/387523050.db2.gz JLDPLUXJQVLGPG-FRRDWIJNSA-N 1 0 222.332 2.085 20 30 BEEDRO CCOCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192697845 387525745 /nfs/dbraw/zinc/52/57/45/387525745.db2.gz RUJFCHUNYZWEOK-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(C)CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276902631 387528393 /nfs/dbraw/zinc/52/83/93/387528393.db2.gz IASIXCIHFAHUGD-UHFFFAOYSA-N 1 0 218.300 2.112 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000277209274 387530981 /nfs/dbraw/zinc/53/09/81/387530981.db2.gz KUBQBLDWZJZUMV-UHFFFAOYSA-N 1 0 231.723 2.060 20 30 BEEDRO CC#CC(=O)Nc1ccc(C)cc1C[NH+](C)C ZINC000277365096 387531015 /nfs/dbraw/zinc/53/10/15/387531015.db2.gz GCTGJMVAOBVJJM-UHFFFAOYSA-N 1 0 230.311 2.018 20 30 BEEDRO CCC(CC)C[N@H+](CCC#N)C[C@H](C)O ZINC000192736838 387531799 /nfs/dbraw/zinc/53/17/99/387531799.db2.gz SVQMWBHMGHFWEV-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO N#CCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000397122364 387542075 /nfs/dbraw/zinc/54/20/75/387542075.db2.gz NSXDOJTWGNWLSJ-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528400111 387594433 /nfs/dbraw/zinc/59/44/33/387594433.db2.gz KCWPTCDWVLMOSJ-STQMWFEESA-N 1 0 236.359 2.019 20 30 BEEDRO Cc1ccnc(NC[C@@H](C)[N@H+](C)C2CC2)c1C#N ZINC000230078094 387613419 /nfs/dbraw/zinc/61/34/19/387613419.db2.gz VMDGEQQTZGCHIX-LLVKDONJSA-N 1 0 244.342 2.156 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)c(C)c1)OC ZINC000353083935 387621901 /nfs/dbraw/zinc/62/19/01/387621901.db2.gz SLEOCOOVEVENOI-AWEZNQCLSA-N 1 0 232.327 2.381 20 30 BEEDRO C=CC[C@@H]1[N@H+](Cc2ncnn2C)CCCC1(C)C ZINC000277884054 387548952 /nfs/dbraw/zinc/54/89/52/387548952.db2.gz VQGBKIYQYHYXKZ-LBPRGKRZSA-N 1 0 248.374 2.382 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1 ZINC000278998739 387560194 /nfs/dbraw/zinc/56/01/94/387560194.db2.gz QYXLOXBPGKELPH-OAHLLOKOSA-N 1 0 229.323 2.136 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cnn(CCF)c1 ZINC001172491825 974839321 /nfs/dbraw/zinc/83/93/21/974839321.db2.gz JVDSSLPJVUDHLE-NSHDSACASA-N 1 0 238.310 2.025 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738716 387565904 /nfs/dbraw/zinc/56/59/04/387565904.db2.gz DMYJNDPWVQSDTR-ZDUSSCGKSA-N 1 0 247.338 2.378 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000426445889 387570099 /nfs/dbraw/zinc/57/00/99/387570099.db2.gz QARJIPKYMWFOJA-CQSZACIVSA-N 1 0 249.741 2.412 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)C(C)(C)C ZINC000283893212 387576982 /nfs/dbraw/zinc/57/69/82/387576982.db2.gz FGQQZHLUUIMRPA-AWEZNQCLSA-N 1 0 246.354 2.397 20 30 BEEDRO C=C(C)C[N@H+](CCO)CC1CCCCC1 ZINC000362596425 387637452 /nfs/dbraw/zinc/63/74/52/387637452.db2.gz MXVBWDRGDMRXOL-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO COC[C@@H]([NH2+]CC1(CC#N)CC1)C1CCCC1 ZINC000430739603 387646210 /nfs/dbraw/zinc/64/62/10/387646210.db2.gz OFQVGJZIOHYUHT-CYBMUJFWSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1ncc([C@@H](C)[NH2+]CC2(CC#N)CC2)c(C)n1 ZINC000430747804 387646465 /nfs/dbraw/zinc/64/64/65/387646465.db2.gz ACSPHPSYCRBKPS-SNVBAGLBSA-N 1 0 244.342 2.438 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccnc(C)c1 ZINC000527704476 387667842 /nfs/dbraw/zinc/66/78/42/387667842.db2.gz WCRHDSCRCBCETN-CABCVRRESA-N 1 0 246.354 2.461 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451894128 387673444 /nfs/dbraw/zinc/67/34/44/387673444.db2.gz CMRDGFRMHMHYKI-ZDUSSCGKSA-N 1 0 222.332 2.183 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000451896086 387673748 /nfs/dbraw/zinc/67/37/48/387673748.db2.gz UKDINEXWBWHWEY-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000044688501 387690306 /nfs/dbraw/zinc/69/03/06/387690306.db2.gz JAZWOXZHWDZDHR-LLVKDONJSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000431245877 387693953 /nfs/dbraw/zinc/69/39/53/387693953.db2.gz HDIJEFLUDPVXOW-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@]12C[N@H+](CCOCCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452057260 387717015 /nfs/dbraw/zinc/71/70/15/387717015.db2.gz YILUMIBGLFNJCC-CBBWQLFWSA-N 1 0 248.370 2.285 20 30 BEEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC1(C#N)CCC1 ZINC000450428792 387722931 /nfs/dbraw/zinc/72/29/31/387722931.db2.gz XEYUFCPKJAXXJI-STQMWFEESA-N 1 0 236.359 2.306 20 30 BEEDRO COC[C@H]1CCC[N@H+](CCCC#N)CC1 ZINC000452082255 387727229 /nfs/dbraw/zinc/72/72/29/387727229.db2.gz KRTXNNXECAMALI-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C=C(CC)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452113954 387742213 /nfs/dbraw/zinc/74/22/13/387742213.db2.gz JATWYTVCRLUKNR-CYBMUJFWSA-N 1 0 210.365 2.367 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](N(C)CCC(C)(C)C#N)C1 ZINC000452114597 387742252 /nfs/dbraw/zinc/74/22/52/387742252.db2.gz KOKRKJOHTUBHAS-CYBMUJFWSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CCC[C@@H](NC[C@H](C)[NH3+])c1ccco1 ZINC000643527254 387764302 /nfs/dbraw/zinc/76/43/02/387764302.db2.gz KSKDMQJOWCNTMR-WDEREUQCSA-N 1 0 208.305 2.224 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353261485 387768733 /nfs/dbraw/zinc/76/87/33/387768733.db2.gz HBJNNZPFGPJDFA-ABAIWWIYSA-N 1 0 244.338 2.296 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353268676 387770976 /nfs/dbraw/zinc/77/09/76/387770976.db2.gz RRFRZFXHEUKXDF-DZGCQCFKSA-N 1 0 244.338 2.296 20 30 BEEDRO COC[C@]1(C)CC[N@H+](Cc2ccccc2C#N)C1 ZINC000294124893 387773100 /nfs/dbraw/zinc/77/31/00/387773100.db2.gz FATOELBPMCAUQI-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000422915170 387773566 /nfs/dbraw/zinc/77/35/66/387773566.db2.gz XKUIHNANDWICDW-GFCCVEGCSA-N 1 0 232.327 2.015 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353249442 387774218 /nfs/dbraw/zinc/77/42/18/387774218.db2.gz DAESOBQSMOKPKE-IINYFYTJSA-N 1 0 230.311 2.170 20 30 BEEDRO CN(C)[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)c1ccco1 ZINC000442651986 387812446 /nfs/dbraw/zinc/81/24/46/387812446.db2.gz QVRMPAPROKABPR-RWMBFGLXSA-N 1 0 247.342 2.164 20 30 BEEDRO CC(C)(C)[C@H](CCO)[NH2+]Cc1ccc(C#N)o1 ZINC000231076237 387782198 /nfs/dbraw/zinc/78/21/98/387782198.db2.gz WOWJROGULLGPLR-LBPRGKRZSA-N 1 0 236.315 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCCOC2)C1 ZINC000527923182 387791673 /nfs/dbraw/zinc/79/16/73/387791673.db2.gz CLWBZLIUWVMJBF-YNEHKIRRSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](Cc1ccccc1)[C@@H](C)N ZINC000422983293 387793862 /nfs/dbraw/zinc/79/38/62/387793862.db2.gz SQUUCXRQVCNORW-GUTXKFCHSA-N 1 0 232.371 2.499 20 30 BEEDRO CS[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000294468511 387795473 /nfs/dbraw/zinc/79/54/73/387795473.db2.gz VJZYARBQJSZXDD-ZDUSSCGKSA-N 1 0 232.352 2.496 20 30 BEEDRO C[N@H+](Cc1ccc(F)cc1C#N)CC1(O)CCC1 ZINC000353480003 387797746 /nfs/dbraw/zinc/79/77/46/387797746.db2.gz HPTPROZNPRQVEK-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000528001152 387808455 /nfs/dbraw/zinc/80/84/55/387808455.db2.gz LPOWCSVSZZBKTP-VNHYZAJKSA-N 1 0 247.386 2.285 20 30 BEEDRO CN(C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCC1 ZINC000442634965 387810353 /nfs/dbraw/zinc/81/03/53/387810353.db2.gz ICUGZIALGNDVSI-QWHCGFSZSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@H](C[NH2+]CCC#N)CC(F)(F)F ZINC000402747982 387810773 /nfs/dbraw/zinc/81/07/73/387810773.db2.gz OWHRQKQUNCINCH-QMMMGPOBSA-N 1 0 208.227 2.468 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@H]1CC12CC2 ZINC000527905756 387761567 /nfs/dbraw/zinc/76/15/67/387761567.db2.gz RMLNNTHHUQXBCO-QCNOEVLYSA-N 1 0 207.317 2.108 20 30 BEEDRO CC#CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000157526633 387820976 /nfs/dbraw/zinc/82/09/76/387820976.db2.gz QDXPERVDFPAPRZ-UHFFFAOYSA-N 1 0 242.366 2.218 20 30 BEEDRO C=C(Br)CN1CCS[C@H](C)C1 ZINC000170901330 387825753 /nfs/dbraw/zinc/82/57/53/387825753.db2.gz UACLPWKJNNWVFU-MRVPVSSYSA-N 1 0 236.178 2.332 20 30 BEEDRO CCOc1ncccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442719691 387828574 /nfs/dbraw/zinc/82/85/74/387828574.db2.gz RYRKRWZMKPCYCH-YPMHNXCESA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@H](O)CCC[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353656792 387830015 /nfs/dbraw/zinc/83/00/15/387830015.db2.gz IGVFMEGOTFCBNK-XHDPSFHLSA-N 1 0 244.338 2.296 20 30 BEEDRO C[C@H]([NH2+]C[C@H](CO)C1CC1)c1cccc(C#N)c1 ZINC000353856469 387834114 /nfs/dbraw/zinc/83/41/14/387834114.db2.gz BSIXIPWXAOHQKS-XHDPSFHLSA-N 1 0 244.338 2.227 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000442775939 387836551 /nfs/dbraw/zinc/83/65/51/387836551.db2.gz CPQCCEDGZQULCW-YPMHNXCESA-N 1 0 248.301 2.486 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)C1 ZINC000442775935 387836695 /nfs/dbraw/zinc/83/66/95/387836695.db2.gz CPQCCEDGZQULCW-DGCLKSJQSA-N 1 0 248.301 2.486 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3OCC[C@@H]32)C1 ZINC000442777494 387837502 /nfs/dbraw/zinc/83/75/02/387837502.db2.gz IWNZTJNRESRDJO-ITGHMWBKSA-N 1 0 234.343 2.226 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442779235 387838847 /nfs/dbraw/zinc/83/88/47/387838847.db2.gz LORKNPFCCVVFCG-QWRGUYRKSA-N 1 0 238.331 2.000 20 30 BEEDRO Cc1nccn1CCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442796870 387840793 /nfs/dbraw/zinc/84/07/93/387840793.db2.gz WHNRGKFYRSQLBQ-UONOGXRCSA-N 1 0 246.358 2.254 20 30 BEEDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442789931 387841114 /nfs/dbraw/zinc/84/11/14/387841114.db2.gz FMKYDTXYTJVNRK-MCIONIFRSA-N 1 0 238.375 2.455 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2O)C1 ZINC000442793922 387841194 /nfs/dbraw/zinc/84/11/94/387841194.db2.gz QYXQSCYUFUXZOG-YPMHNXCESA-N 1 0 230.311 2.217 20 30 BEEDRO Cc1nccn1CCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442796872 387842290 /nfs/dbraw/zinc/84/22/90/387842290.db2.gz WHNRGKFYRSQLBQ-ZIAGYGMSSA-N 1 0 246.358 2.254 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000328065965 387846680 /nfs/dbraw/zinc/84/66/80/387846680.db2.gz COOTUUOUBHKODL-UONOGXRCSA-N 1 0 222.376 2.110 20 30 BEEDRO C=C(CN[C@H](C)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032129 387848256 /nfs/dbraw/zinc/84/82/56/387848256.db2.gz VSLKNOLFQHDNAQ-HIFRSBDPSA-N 1 0 230.355 2.430 20 30 BEEDRO C=C(CN[C@H](C)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000423032130 387848777 /nfs/dbraw/zinc/84/87/77/387848777.db2.gz VSLKNOLFQHDNAQ-UKRRQHHQSA-N 1 0 230.355 2.430 20 30 BEEDRO CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442849750 387849296 /nfs/dbraw/zinc/84/92/96/387849296.db2.gz BZWJKLUXEOQYEX-AVGNSLFASA-N 1 0 236.359 2.065 20 30 BEEDRO N#CCCC[C@@H]([NH2+]CCCO)c1ccccc1 ZINC000433016019 387850215 /nfs/dbraw/zinc/85/02/15/387850215.db2.gz MWIPQBXGMZGQRT-CQSZACIVSA-N 1 0 232.327 2.394 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccc(F)c2)C1 ZINC000442854766 387851763 /nfs/dbraw/zinc/85/17/63/387851763.db2.gz LJEBUBURPIHPOO-HONMWMINSA-N 1 0 248.301 2.141 20 30 BEEDRO CC(C)(C)CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442876328 387855711 /nfs/dbraw/zinc/85/57/11/387855711.db2.gz PPTKHTGHRURBTA-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC(C)(C)C[C@@H]2C)nn1 ZINC000424169109 387860348 /nfs/dbraw/zinc/86/03/48/387860348.db2.gz HGVQSIJYASYXEP-AAEUAGOBSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433081954 387862532 /nfs/dbraw/zinc/86/25/32/387862532.db2.gz JASRSOWCCKUHJN-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)nn1 ZINC000424171019 387862788 /nfs/dbraw/zinc/86/27/88/387862788.db2.gz LACBQLWYJUXUFQ-OLZOCXBDSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)nn1 ZINC000424170093 387863992 /nfs/dbraw/zinc/86/39/92/387863992.db2.gz JBBAIEGQCCQIJW-YNEHKIRRSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1occc1C ZINC000424171702 387865261 /nfs/dbraw/zinc/86/52/61/387865261.db2.gz KVRQADQMNOBYJY-RYUDHWBXSA-N 1 0 221.300 2.269 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000294709264 387816893 /nfs/dbraw/zinc/81/68/93/387816893.db2.gz DNMMTDBJDHJEHQ-LLVKDONJSA-N 1 0 236.340 2.277 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353598721 387817802 /nfs/dbraw/zinc/81/78/02/387817802.db2.gz UNQDPBFZFSRJOS-HZMBPMFUSA-N 1 0 230.311 2.170 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc(COC)cc1 ZINC000153388649 387890232 /nfs/dbraw/zinc/89/02/32/387890232.db2.gz GWYYUOQYVRAQAD-UHFFFAOYSA-N 1 0 205.301 2.499 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000424179801 387891536 /nfs/dbraw/zinc/89/15/36/387891536.db2.gz ZEFIWZBWJWWZQK-GJZGRUSLSA-N 1 0 242.322 2.239 20 30 BEEDRO C=CCCCCC[NH+]1CCC(OCCO)CC1 ZINC000236510744 387895200 /nfs/dbraw/zinc/89/52/00/387895200.db2.gz LVMLGZLTRZBVCF-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO CCOCC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000036228997 387882840 /nfs/dbraw/zinc/88/28/40/387882840.db2.gz CTCMLMVYSDIKIE-NSHDSACASA-N 1 0 218.300 2.245 20 30 BEEDRO N#CCC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000423096447 387885299 /nfs/dbraw/zinc/88/52/99/387885299.db2.gz OVOCAJXHSBGBFB-ZIAGYGMSSA-N 1 0 241.338 2.415 20 30 BEEDRO CC[C@H]1CCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528346151 387902565 /nfs/dbraw/zinc/90/25/65/387902565.db2.gz USWGFGPTXOVVOH-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000452745463 387905905 /nfs/dbraw/zinc/90/59/05/387905905.db2.gz XMCAQEFEVFIVPL-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CNC(=O)c1c[nH+]ccc1N(C)C ZINC000452777832 387917656 /nfs/dbraw/zinc/91/76/56/387917656.db2.gz WAYPHWIBAVZGEK-UHFFFAOYSA-N 1 0 247.342 2.090 20 30 BEEDRO C=C(CC)C[NH2+][C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000444799355 387931402 /nfs/dbraw/zinc/93/14/02/387931402.db2.gz HVVXZDVPVKGCNN-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423155884 387933881 /nfs/dbraw/zinc/93/38/81/387933881.db2.gz RKIQZZYDRKQBFR-KBXIAJHMSA-N 1 0 244.338 2.064 20 30 BEEDRO C[C@@]1(O)CC[N@H+](CC#Cc2cccc(Cl)c2)C1 ZINC000179030160 387926215 /nfs/dbraw/zinc/92/62/15/387926215.db2.gz QFMQIMSSNOTFHB-CQSZACIVSA-N 1 0 249.741 2.148 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1 ZINC000424198787 387926520 /nfs/dbraw/zinc/92/65/20/387926520.db2.gz JSMXWNACFGCCCY-AGIUHOORSA-N 1 0 234.343 2.370 20 30 BEEDRO C=CC(C)(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000448717106 387938517 /nfs/dbraw/zinc/93/85/17/387938517.db2.gz MRNJZKPRLHNBMA-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](NCC(C)(C)CC#N)[C@H]1CCCC[NH2+]1 ZINC000423166077 387949666 /nfs/dbraw/zinc/94/96/66/387949666.db2.gz CEBHQVJXCBJVDA-VXGBXAGGSA-N 1 0 223.364 2.046 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000424296481 387956410 /nfs/dbraw/zinc/95/64/10/387956410.db2.gz ORVIFBWTRXQPRK-XDQVBPFNSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)nn1 ZINC000424299033 387958801 /nfs/dbraw/zinc/95/88/01/387958801.db2.gz UQBCXVNXRITIRD-QWHCGFSZSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]2C(C)C)nn1 ZINC000424297696 387959237 /nfs/dbraw/zinc/95/92/37/387959237.db2.gz RDGHHMBDWAIPLS-KGLIPLIRSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(OC)CC1 ZINC000424298739 387959450 /nfs/dbraw/zinc/95/94/50/387959450.db2.gz TVQSHLUCUVJFRV-ABXWRUBCSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccoc1 ZINC000424300932 387959805 /nfs/dbraw/zinc/95/98/05/387959805.db2.gz YSQPURRGEDIUDH-UBHSHLNASA-N 1 0 235.327 2.391 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000453015006 387960147 /nfs/dbraw/zinc/96/01/47/387960147.db2.gz MDYFLFCHKBWLAB-FRRDWIJNSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423176162 387962053 /nfs/dbraw/zinc/96/20/53/387962053.db2.gz GJIRPHRBHHMZJO-DGCLKSJQSA-N 1 0 238.375 2.030 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](CC)CSC ZINC000245577144 387962449 /nfs/dbraw/zinc/96/24/49/387962449.db2.gz FKVOYXCANRUZLB-NEPJUHHUSA-N 1 0 231.405 2.387 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1nccc(OC)n1 ZINC000424308818 387964630 /nfs/dbraw/zinc/96/46/30/387964630.db2.gz PLZDGSIGULVNHY-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO C=C(CC)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000453027049 387964949 /nfs/dbraw/zinc/96/49/49/387964949.db2.gz VSTXUNMNIHGEHU-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCSCC#N)[C@H]1C ZINC000248372318 135000133 /nfs/dbraw/zinc/00/01/33/135000133.db2.gz ZUGMPUOQCDZVOW-MNOVXSKESA-N 1 0 212.362 2.364 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424315691 387967056 /nfs/dbraw/zinc/96/70/56/387967056.db2.gz AJSCUTUYYWTUMS-FQUUOJAGSA-N 1 0 236.359 2.473 20 30 BEEDRO CCOC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424315695 387967203 /nfs/dbraw/zinc/96/72/03/387967203.db2.gz AJSCUTUYYWTUMS-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1ncc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)c(C)n1 ZINC000424319066 387969289 /nfs/dbraw/zinc/96/92/89/387969289.db2.gz DKMYXNXONPFKPZ-KGYLQXTDSA-N 1 0 244.342 2.436 20 30 BEEDRO C=CC[N@@H+](CC[C@@H](C)O)Cc1cccc(C#N)c1 ZINC000438980577 387970189 /nfs/dbraw/zinc/97/01/89/387970189.db2.gz SCBVKHOFVTYDSD-CYBMUJFWSA-N 1 0 244.338 2.317 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445811012 387971277 /nfs/dbraw/zinc/97/12/77/387971277.db2.gz NNDRAQSMJABOMC-CABCVRRESA-N 1 0 246.354 2.449 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CCC1 ZINC000424294751 387956744 /nfs/dbraw/zinc/95/67/44/387956744.db2.gz LKGHFUPHHLPRGS-DRZSPHRISA-N 1 0 209.333 2.356 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1nccn1C ZINC000424331188 387976362 /nfs/dbraw/zinc/97/63/62/387976362.db2.gz RTZXZWGAYMXHQE-TUAOUCFPSA-N 1 0 232.331 2.153 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000439274297 387990241 /nfs/dbraw/zinc/99/02/41/387990241.db2.gz OQZGPFDJFMXKPP-BFHYXJOUSA-N 1 0 241.375 2.467 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000453125821 387991024 /nfs/dbraw/zinc/99/10/24/387991024.db2.gz APKPRPMRDNDXFM-ZYHUDNBSSA-N 1 0 233.311 2.163 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000453125820 387991931 /nfs/dbraw/zinc/99/19/31/387991931.db2.gz APKPRPMRDNDXFM-PWSUYJOCSA-N 1 0 233.311 2.163 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000446068765 387992305 /nfs/dbraw/zinc/99/23/05/387992305.db2.gz SOWRDZGCHBTXDJ-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccco1 ZINC000423208903 387994035 /nfs/dbraw/zinc/99/40/35/387994035.db2.gz FJXGIRXQOMHRTL-VXGBXAGGSA-N 1 0 220.316 2.238 20 30 BEEDRO C=CCCc1nc(C2([NH3+])CCCCC2)no1 ZINC000424340360 387982952 /nfs/dbraw/zinc/98/29/52/387982952.db2.gz GLGYAIYUJBVHLY-UHFFFAOYSA-N 1 0 221.304 2.306 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1C ZINC000245848949 387986761 /nfs/dbraw/zinc/98/67/61/387986761.db2.gz CNBUDEZNYXLHGJ-JHJVBQTASA-N 1 0 219.332 2.408 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000453158313 388000399 /nfs/dbraw/zinc/00/03/99/388000399.db2.gz AJBPCPQGUYWJMW-FZMZJTMJSA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCCSC ZINC000439466352 388000428 /nfs/dbraw/zinc/00/04/28/388000428.db2.gz HMPNEZJCUHQQQH-UHFFFAOYSA-N 1 0 217.378 2.264 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C12CCC2 ZINC000453191819 388006707 /nfs/dbraw/zinc/00/67/07/388006707.db2.gz FUMXKDYUTQYMHY-MROQNXINSA-N 1 0 234.343 2.226 20 30 BEEDRO C=C(C)CN(C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424418982 388006945 /nfs/dbraw/zinc/00/69/45/388006945.db2.gz CKRWLVAWHIWDPS-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@](C)(O)COC)C1CC1 ZINC000453249576 388025271 /nfs/dbraw/zinc/02/52/71/388025271.db2.gz GPJURKZWEJSDMY-KGLIPLIRSA-N 1 0 241.375 2.108 20 30 BEEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)N(C)C1CC1 ZINC000105488395 388019754 /nfs/dbraw/zinc/01/97/54/388019754.db2.gz NANWXYXNKRCRQI-LBPRGKRZSA-N 1 0 243.354 2.131 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCOC1 ZINC000453289802 388035766 /nfs/dbraw/zinc/03/57/66/388035766.db2.gz JBBGNLRBJQHKRL-XUXIUFHCSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)[C@H]1CCOC1 ZINC000453289800 388036318 /nfs/dbraw/zinc/03/63/18/388036318.db2.gz JBBGNLRBJQHKRL-XDQVBPFNSA-N 1 0 236.359 2.473 20 30 BEEDRO COC[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)C1CC1 ZINC000453298334 388038964 /nfs/dbraw/zinc/03/89/64/388038964.db2.gz XIIQJUWVOHVWOB-WCFLWFBJSA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000453325915 388041301 /nfs/dbraw/zinc/04/13/01/388041301.db2.gz VCSJKJMJQHLIMW-GFCCVEGCSA-N 1 0 219.332 2.427 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000453315543 388043984 /nfs/dbraw/zinc/04/39/84/388043984.db2.gz JFSNAXIKHONWHD-NSHDSACASA-N 1 0 207.321 2.345 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000453338574 388052345 /nfs/dbraw/zinc/05/23/45/388052345.db2.gz GQYDSDMGOBYPQU-RNJOBUHISA-N 1 0 247.342 2.212 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000083523163 388052624 /nfs/dbraw/zinc/05/26/24/388052624.db2.gz JUSPJNWYEJLKKU-UHFFFAOYSA-N 1 0 247.338 2.378 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc(C)on1 ZINC000453353123 388056503 /nfs/dbraw/zinc/05/65/03/388056503.db2.gz MQKKDFBVOPDHDW-LOWVWBTDSA-N 1 0 236.315 2.367 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)c1ccncc1 ZINC000453354089 388057266 /nfs/dbraw/zinc/05/72/66/388057266.db2.gz KJWPUZDLQUJSKL-MCIONIFRSA-N 1 0 232.327 2.466 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)c1ccncc1 ZINC000453354092 388057447 /nfs/dbraw/zinc/05/74/47/388057447.db2.gz KJWPUZDLQUJSKL-MJBXVCDLSA-N 1 0 232.327 2.466 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000453361708 388059852 /nfs/dbraw/zinc/05/98/52/388059852.db2.gz PARBOZWTKOXKEJ-WOPDTQHZSA-N 1 0 207.317 2.252 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)c1ccncc1 ZINC000453363259 388060168 /nfs/dbraw/zinc/06/01/68/388060168.db2.gz QSXKIGKEMGLZPP-UONOGXRCSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000453365403 388061432 /nfs/dbraw/zinc/06/14/32/388061432.db2.gz RSFBRPTVYNYXFB-SWLSCSKDSA-N 1 0 249.354 2.157 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cnccc1C ZINC000453371806 388062857 /nfs/dbraw/zinc/06/28/57/388062857.db2.gz UYVIVQBRBHQYPT-OLZOCXBDSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CN)C1CC1 ZINC000423281333 388064224 /nfs/dbraw/zinc/06/42/24/388064224.db2.gz UHGALOICSACAGU-WCQYABFASA-N 1 0 210.365 2.448 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000447531233 388075989 /nfs/dbraw/zinc/07/59/89/388075989.db2.gz QKACYLVFIHLANZ-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO CCN(CC)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000447536397 388076533 /nfs/dbraw/zinc/07/65/33/388076533.db2.gz MZNGMLXOKHKUKX-BFHYXJOUSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CCN1C ZINC000447545309 388076718 /nfs/dbraw/zinc/07/67/18/388076718.db2.gz QZATXEGYHNLEKZ-YIYPIFLZSA-N 1 0 235.375 2.141 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000447564599 388078167 /nfs/dbraw/zinc/07/81/67/388078167.db2.gz YBVOWPORFDQJFU-IGQOVBAYSA-N 1 0 238.375 2.455 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1(C)C ZINC000447584456 388080938 /nfs/dbraw/zinc/08/09/38/388080938.db2.gz FWTNNLCVSIXEFH-MROQNXINSA-N 1 0 236.359 2.472 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCc2occc21 ZINC000447586210 388081035 /nfs/dbraw/zinc/08/10/35/388081035.db2.gz MTQRDKXHOGAMTQ-YPMHNXCESA-N 1 0 235.327 2.431 20 30 BEEDRO C[C@H]([NH2+]CCn1cccn1)c1cccc(C#N)c1 ZINC000042539586 388097709 /nfs/dbraw/zinc/09/77/09/388097709.db2.gz YSADIFWMBWTODE-LBPRGKRZSA-N 1 0 240.310 2.106 20 30 BEEDRO COCCC[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036430 388099129 /nfs/dbraw/zinc/09/91/29/388099129.db2.gz KHOIRWFVRDXZHC-UHFFFAOYSA-N 1 0 244.338 2.236 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000447871808 388099234 /nfs/dbraw/zinc/09/92/34/388099234.db2.gz MICHTWHUHJBKAH-NEPJUHHUSA-N 1 0 211.349 2.434 20 30 BEEDRO CCCn1ccc(CNCC2(C#N)CC2)c1 ZINC000309836793 388112774 /nfs/dbraw/zinc/11/27/74/388112774.db2.gz BJDUVVXBGFSEKO-UHFFFAOYSA-N 1 0 217.316 2.291 20 30 BEEDRO CC(C)C[C@H](CN)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423266466 388046227 /nfs/dbraw/zinc/04/62/27/388046227.db2.gz SCPGFIQKMIFAFK-FRRDWIJNSA-N 1 0 223.364 2.032 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000449189703 388155752 /nfs/dbraw/zinc/15/57/52/388155752.db2.gz MWMDMQSNZRSORQ-VIFPVBQESA-N 1 0 236.315 2.164 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCN1CCC1 ZINC000449196978 388156052 /nfs/dbraw/zinc/15/60/52/388156052.db2.gz XWHBAAXJQOTCEA-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCN2CCCC2)CC1 ZINC000449218542 388158073 /nfs/dbraw/zinc/15/80/73/388158073.db2.gz JKFDYMUHTLPGMW-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)Cc1ccoc1 ZINC000449212821 388158514 /nfs/dbraw/zinc/15/85/14/388158514.db2.gz VMMLTYRMPHTFKL-LBPRGKRZSA-N 1 0 223.316 2.393 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1cccc(C)c1 ZINC000449236141 388160360 /nfs/dbraw/zinc/16/03/60/388160360.db2.gz IUJRTJDASHEJMJ-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO CC[C@H](CC#N)NCc1ccncc1F ZINC000449242091 388160832 /nfs/dbraw/zinc/16/08/32/388160832.db2.gz DMFINRKHYKWONI-SNVBAGLBSA-N 1 0 207.252 2.003 20 30 BEEDRO COCC1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000449247397 388161567 /nfs/dbraw/zinc/16/15/67/388161567.db2.gz FYFAFSYSNKVSMG-HHTDUIENSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)cc(OC)c1 ZINC000449260768 388164167 /nfs/dbraw/zinc/16/41/67/388164167.db2.gz XQCHVHOITSXGML-UHFFFAOYSA-N 1 0 209.264 2.452 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449268492 388164536 /nfs/dbraw/zinc/16/45/36/388164536.db2.gz HJAHGXHLFUMDES-ZFDZMSFRSA-N 1 0 224.348 2.472 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1c(C)nnn1CC ZINC000449288084 388167966 /nfs/dbraw/zinc/16/79/66/388167966.db2.gz MHTBMVWHDAHIBC-GFCCVEGCSA-N 1 0 234.347 2.147 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CSC[C@H]1C ZINC000449298297 388168642 /nfs/dbraw/zinc/16/86/42/388168642.db2.gz HGIVCYNOVGNYQC-LPWJVIDDSA-N 1 0 241.400 2.309 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000449297589 388169176 /nfs/dbraw/zinc/16/91/76/388169176.db2.gz DKKCAHQPXLFNJR-MRTXSQPYSA-N 1 0 239.359 2.123 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccnc(OC)n1 ZINC000449372862 388184852 /nfs/dbraw/zinc/18/48/52/388184852.db2.gz LTWGZFNHRLFSGR-QWRGUYRKSA-N 1 0 235.331 2.176 20 30 BEEDRO CC(C)C[N@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000037108535 388118445 /nfs/dbraw/zinc/11/84/45/388118445.db2.gz MKGYZRQLAKHTTI-UHFFFAOYSA-N 1 0 245.326 2.085 20 30 BEEDRO C=CCC1(C(=O)NCCC[NH+](C)C)CCCC1 ZINC000449051532 388135675 /nfs/dbraw/zinc/13/56/75/388135675.db2.gz UVMHELCXFKHZHA-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH2+][C@H](CCO)c1ccccc1F ZINC000646067361 388136527 /nfs/dbraw/zinc/13/65/27/388136527.db2.gz VAFPNXKROWYFTM-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO CN(C)C(C)(C)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449064988 388138549 /nfs/dbraw/zinc/13/85/49/388138549.db2.gz RJJCSWPUTHGUIC-UHFFFAOYSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCC(=O)N(C)C ZINC000449103837 388143025 /nfs/dbraw/zinc/14/30/25/388143025.db2.gz CLBXJUKBYOPWPB-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@H](C)[NH2+]C1CC1 ZINC000449131456 388146767 /nfs/dbraw/zinc/14/67/67/388146767.db2.gz MUHOSLYBCMXAFN-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCCS(C)(=O)=O ZINC000449133143 388147141 /nfs/dbraw/zinc/14/71/41/388147141.db2.gz XGDLJGRRWFFRQK-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](O)[C@@H]1CCOC1 ZINC000449159906 388150527 /nfs/dbraw/zinc/15/05/27/388150527.db2.gz JOWDFGRALZBISH-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO CC#CC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646133696 388150959 /nfs/dbraw/zinc/15/09/59/388150959.db2.gz ZDLNSCCMJWFLRA-GFCCVEGCSA-N 1 0 207.317 2.043 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCC[S@@](C)=O ZINC000449164128 388151065 /nfs/dbraw/zinc/15/10/65/388151065.db2.gz YBDRAPXXQUENSK-IUODEOHRSA-N 1 0 231.405 2.480 20 30 BEEDRO CC[C@@H](O)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449186038 388154872 /nfs/dbraw/zinc/15/48/72/388154872.db2.gz BYHGQGUQGPXFMA-OTTFEQOBSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)CCC)CC1 ZINC000490865645 388257434 /nfs/dbraw/zinc/25/74/34/388257434.db2.gz FSZQVWDETDLXMT-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C1 ZINC000192956433 388258420 /nfs/dbraw/zinc/25/84/20/388258420.db2.gz BOWXXMKYZUFBSQ-FQUUOJAGSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)OC ZINC000449404029 388195101 /nfs/dbraw/zinc/19/51/01/388195101.db2.gz SWERGXNIFRKROB-RNJOBUHISA-N 1 0 224.348 2.329 20 30 BEEDRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)OC ZINC000449404028 388195523 /nfs/dbraw/zinc/19/55/23/388195523.db2.gz SWERGXNIFRKROB-LOWDOPEQSA-N 1 0 224.348 2.329 20 30 BEEDRO CC(C)(CO)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449407225 388197528 /nfs/dbraw/zinc/19/75/28/388197528.db2.gz GBSWDLKQVJGJLO-NEPJUHHUSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCCCC[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000488974645 388200257 /nfs/dbraw/zinc/20/02/57/388200257.db2.gz BPDZZYLWCZVDFE-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000449474025 388213692 /nfs/dbraw/zinc/21/36/92/388213692.db2.gz IXIMWUYZOKHUCB-UHFFFAOYSA-N 1 0 249.310 2.480 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000449479729 388215125 /nfs/dbraw/zinc/21/51/25/388215125.db2.gz WCHRXFYBIBCMNG-UHFFFAOYSA-N 1 0 233.237 2.484 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@H](O)CCOC(C)C ZINC000489500645 388219251 /nfs/dbraw/zinc/21/92/51/388219251.db2.gz SSXBLPKHDRWFJM-KGLIPLIRSA-N 1 0 241.375 2.203 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000449518233 388222399 /nfs/dbraw/zinc/22/23/99/388222399.db2.gz ISZPMQVUKPFKFR-QNWHQSFQSA-N 1 0 241.400 2.450 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000449519040 388222482 /nfs/dbraw/zinc/22/24/82/388222482.db2.gz KXWPPHOLTVPULI-NEPJUHHUSA-N 1 0 234.324 2.053 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000449519856 388222559 /nfs/dbraw/zinc/22/25/59/388222559.db2.gz OCXAEWAYURJINH-ZJUUUORDSA-N 1 0 227.691 2.366 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCc1cnccc1C ZINC000449519145 388222645 /nfs/dbraw/zinc/22/26/45/388222645.db2.gz LVHROXJTBNQBRX-CABCVRRESA-N 1 0 246.354 2.256 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000456810120 388222965 /nfs/dbraw/zinc/22/29/65/388222965.db2.gz DPDPWLKOSQFERJ-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000449522249 388223414 /nfs/dbraw/zinc/22/34/14/388223414.db2.gz UVSZPKZZNRRLSV-DFBGVHRSSA-N 1 0 247.338 2.256 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000449548969 388229790 /nfs/dbraw/zinc/22/97/90/388229790.db2.gz SPALOQFLIGBUFO-UTUOFQBUSA-N 1 0 227.373 2.205 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(C)nc1 ZINC000449549114 388229995 /nfs/dbraw/zinc/22/99/95/388229995.db2.gz UXCAROFBFBGAPM-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CSC[C@H]1C ZINC000449549435 388230088 /nfs/dbraw/zinc/23/00/88/388230088.db2.gz XXNKKYSRVBPKCM-WYUUTHIRSA-N 1 0 227.373 2.061 20 30 BEEDRO C[C@H](NCCC[NH+](C)C)c1cccc(C#N)c1 ZINC000037213737 388237849 /nfs/dbraw/zinc/23/78/49/388237849.db2.gz RDFPJLYNVOOESP-LBPRGKRZSA-N 1 0 231.343 2.161 20 30 BEEDRO CCc1ncc(C[NH2+][C@H]2CCC[C@H](C#N)C2)o1 ZINC000449611859 388243142 /nfs/dbraw/zinc/24/31/42/388243142.db2.gz ZCGWGJDCLSDULA-QWRGUYRKSA-N 1 0 233.315 2.409 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000491285701 388282369 /nfs/dbraw/zinc/28/23/69/388282369.db2.gz FDAHODLAQZTSKA-SNVBAGLBSA-N 1 0 216.259 2.151 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)c1ccc(F)cc1 ZINC000491289530 388282966 /nfs/dbraw/zinc/28/29/66/388282966.db2.gz ZOEDHJJRWQSJSV-NSHDSACASA-N 1 0 233.286 2.352 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC)C(C)C ZINC000491297230 388283499 /nfs/dbraw/zinc/28/34/99/388283499.db2.gz PIWUSWRUASONTI-UMSGYPCISA-N 1 0 241.400 2.143 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000451607732 388283926 /nfs/dbraw/zinc/28/39/26/388283926.db2.gz QIFTWQYLIPUXBK-KGLIPLIRSA-N 1 0 246.285 2.130 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCCCF ZINC000451615207 388284138 /nfs/dbraw/zinc/28/41/38/388284138.db2.gz VAWPGBURIVSJSM-MNOVXSKESA-N 1 0 201.285 2.059 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](OC)c1ccccc1 ZINC000451614701 388284139 /nfs/dbraw/zinc/28/41/39/388284139.db2.gz RZQYWYZDHHUKBI-QLFBSQMISA-N 1 0 247.338 2.307 20 30 BEEDRO C=C(C)CC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451613187 388284222 /nfs/dbraw/zinc/28/42/22/388284222.db2.gz NAGPXMGBTRRQFA-KBPBESRZSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C(C)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C ZINC000451613961 388284293 /nfs/dbraw/zinc/28/42/93/388284293.db2.gz NYUWVRGQKLXDHX-CHWSQXEVSA-N 1 0 213.365 2.441 20 30 BEEDRO C=CCC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451617871 388284870 /nfs/dbraw/zinc/28/48/70/388284870.db2.gz VBERYPFZWOCQCU-STQMWFEESA-N 1 0 213.365 2.441 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000491361364 388286311 /nfs/dbraw/zinc/28/63/11/388286311.db2.gz KYGVXHYLWGFBAL-GFCCVEGCSA-N 1 0 241.693 2.078 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)Cc1ccsc1 ZINC000491349692 388287740 /nfs/dbraw/zinc/28/77/40/388287740.db2.gz JPOKFQOSOAYLQJ-LBPRGKRZSA-N 1 0 217.337 2.248 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1C=CCCC1 ZINC000451677268 388289354 /nfs/dbraw/zinc/28/93/54/388289354.db2.gz UKYJSXDUXQKWEJ-XQQFMLRXSA-N 1 0 207.317 2.418 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](F)CC ZINC000451681465 388289682 /nfs/dbraw/zinc/28/96/82/388289682.db2.gz MRFJFRBGWNLZBG-AXFHLTTASA-N 1 0 201.285 2.058 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)CCC(C)C)C(C)C ZINC000491395482 388292028 /nfs/dbraw/zinc/29/20/28/388292028.db2.gz SOSYXXOLEJMAOJ-QWHCGFSZSA-N 1 0 211.349 2.031 20 30 BEEDRO C=C(CC)C[N@H+]1CCN(CC)C[C@@H]1CC ZINC000451741741 388292771 /nfs/dbraw/zinc/29/27/71/388292771.db2.gz PRGQPXMLODNACL-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000491425519 388293851 /nfs/dbraw/zinc/29/38/51/388293851.db2.gz ACOQRRJGZXQTKD-NSHDSACASA-N 1 0 240.306 2.394 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(O)c(OCC)c1 ZINC000491473619 388296600 /nfs/dbraw/zinc/29/66/00/388296600.db2.gz GCXKBYKRIGURJQ-LLVKDONJSA-N 1 0 233.311 2.244 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451790736 388296631 /nfs/dbraw/zinc/29/66/31/388296631.db2.gz OXHLOGKVWRBTJG-CYBMUJFWSA-N 1 0 243.391 2.308 20 30 BEEDRO C=CCOCC[N@@H+]1CCOCC12CCCCC2 ZINC000451817547 388298298 /nfs/dbraw/zinc/29/82/98/388298298.db2.gz RTGPRGQQPCSESW-UHFFFAOYSA-N 1 0 239.359 2.224 20 30 BEEDRO CC#CC[N@@H+]1CCOCC12CCCCC2 ZINC000451816947 388298548 /nfs/dbraw/zinc/29/85/48/388298548.db2.gz PZUBQCCORFGARR-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1C[C@H](OC)C12CCC2 ZINC000451830338 388298883 /nfs/dbraw/zinc/29/88/83/388298883.db2.gz CKASSBLBLZKYPT-OLZOCXBDSA-N 1 0 239.359 2.078 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCc1ccc(OC)cc1 ZINC000491513541 388300062 /nfs/dbraw/zinc/30/00/62/388300062.db2.gz CTBRQGWGUGQJFJ-LBPRGKRZSA-N 1 0 217.312 2.191 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451852984 388300998 /nfs/dbraw/zinc/30/09/98/388300998.db2.gz OTPOVBCHALGIMY-RYUDHWBXSA-N 1 0 209.333 2.452 20 30 BEEDRO CC#CCC[N@@H+](C)[C@H]1C[C@H](OC)C12CCC2 ZINC000451858785 388301214 /nfs/dbraw/zinc/30/12/14/388301214.db2.gz VISFRQUEMFVXRG-STQMWFEESA-N 1 0 221.344 2.289 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000491553897 388303456 /nfs/dbraw/zinc/30/34/56/388303456.db2.gz DOVRWTQVMAHXFO-NSHDSACASA-N 1 0 230.311 2.099 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000491567970 388304299 /nfs/dbraw/zinc/30/42/99/388304299.db2.gz NYLOWEMXPLYWAS-CYBMUJFWSA-N 1 0 244.294 2.407 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1)C[C@@H]1CCOC1 ZINC000491618535 388305053 /nfs/dbraw/zinc/30/50/53/388305053.db2.gz LNYJCFPDTDDDCW-HNNXBMFYSA-N 1 0 229.323 2.158 20 30 BEEDRO C#CC[N@H+](Cc1cc2cccnc2o1)C1CC1 ZINC000491619562 388305383 /nfs/dbraw/zinc/30/53/83/388305383.db2.gz BMDGJKGBFMEVGI-UHFFFAOYSA-N 1 0 226.279 2.425 20 30 BEEDRO C#CC[N@@H+](CCc1cncn1C)C1CCCCC1 ZINC000491621866 388305617 /nfs/dbraw/zinc/30/56/17/388305617.db2.gz DNMKFZWIBBPVES-UHFFFAOYSA-N 1 0 245.370 2.231 20 30 BEEDRO C#C[C@@H](NC(NCC)=[NH+]CC)c1ccc(F)cc1 ZINC000491635304 388306903 /nfs/dbraw/zinc/30/69/03/388306903.db2.gz RSMZOUCPOGMXDW-CYBMUJFWSA-N 1 0 247.317 2.075 20 30 BEEDRO C#CC[N@@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000491651467 388307909 /nfs/dbraw/zinc/30/79/09/388307909.db2.gz GYIHIQNOQPNEPF-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000491653731 388308154 /nfs/dbraw/zinc/30/81/54/388308154.db2.gz DDWGDVCCCGMJHD-RRFJBIMHSA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cccc(OCCOC)c1 ZINC000491695294 388311671 /nfs/dbraw/zinc/31/16/71/388311671.db2.gz BTNLGOYUVYXYKY-CYBMUJFWSA-N 1 0 247.338 2.165 20 30 BEEDRO C#CCN(CC#CC)Cc1c(C)nsc1C ZINC000491699303 388312472 /nfs/dbraw/zinc/31/24/72/388312472.db2.gz UQGYOHMHZVPDRE-UHFFFAOYSA-N 1 0 232.352 2.218 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)[C@@H](C)c1ccccc1)C1CC1 ZINC000491700638 388312561 /nfs/dbraw/zinc/31/25/61/388312561.db2.gz GMOQNAPCRMHEQX-XJKSGUPXSA-N 1 0 243.350 2.249 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000491706878 388313302 /nfs/dbraw/zinc/31/33/02/388313302.db2.gz FHTAGPMOPVDIMN-WOLRVDTOSA-N 1 0 244.338 2.447 20 30 BEEDRO C#CC(C)(C)N(C)CC(=O)Nc1ccccc1F ZINC000491717214 388314181 /nfs/dbraw/zinc/31/41/81/388314181.db2.gz VTJGTFLKXLJBHL-UHFFFAOYSA-N 1 0 248.301 2.108 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C(C)C ZINC000491726599 388315195 /nfs/dbraw/zinc/31/51/95/388315195.db2.gz KDIVDCGCJXBHHD-VIFPVBQESA-N 1 0 245.248 2.176 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C(C)C ZINC000491726598 388315471 /nfs/dbraw/zinc/31/54/71/388315471.db2.gz KDIVDCGCJXBHHD-SECBINFHSA-N 1 0 245.248 2.176 20 30 BEEDRO C#CC[N@H+](CC[C@H]1CCCCO1)C1CC1 ZINC000491742756 388317132 /nfs/dbraw/zinc/31/71/32/388317132.db2.gz TXPHADLJQJEGTO-CYBMUJFWSA-N 1 0 207.317 2.043 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOCCOc1ccccc1 ZINC000491776588 388319818 /nfs/dbraw/zinc/31/98/18/388319818.db2.gz WHLFPBWABZSUIN-AWEZNQCLSA-N 1 0 247.338 2.036 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc2cccnc2o1 ZINC000491811329 388322710 /nfs/dbraw/zinc/32/27/10/388322710.db2.gz BYGKPMBTMZVDLE-SNVBAGLBSA-N 1 0 214.268 2.281 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCCCCn1cccn1 ZINC000491811344 388322821 /nfs/dbraw/zinc/32/28/21/388322821.db2.gz CCUKHSMXQUTGLI-CYBMUJFWSA-N 1 0 219.332 2.007 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccccc1OCCOC ZINC000491818531 388323518 /nfs/dbraw/zinc/32/35/18/388323518.db2.gz LOCNSNCKCOYWGQ-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000518787490 256612006 /nfs/dbraw/zinc/61/20/06/256612006.db2.gz GFOVHOPUWWDTKP-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CC#CC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000451367187 388266083 /nfs/dbraw/zinc/26/60/83/388266083.db2.gz JQAAVSGDSGTBEJ-RQJABVFESA-N 1 0 201.313 2.154 20 30 BEEDRO C[C@@]12C[N@H+](CC3(C#N)CC3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451379059 388267681 /nfs/dbraw/zinc/26/76/81/388267681.db2.gz YTCLPAPEVVWOER-RQJABVFESA-N 1 0 228.339 2.434 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CC[C@@H](O)c1ccccc1 ZINC000491071208 388268082 /nfs/dbraw/zinc/26/80/82/388268082.db2.gz IMNTVAXNUPHITO-GXTWGEPZSA-N 1 0 217.312 2.064 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(COC)cc1 ZINC000491069630 388268138 /nfs/dbraw/zinc/26/81/38/388268138.db2.gz XPIMPVBFHWGJMC-LBPRGKRZSA-N 1 0 217.312 2.287 20 30 BEEDRO C#CCN(Cc1ccc(CC)cn1)C1CC1 ZINC000491121145 388270804 /nfs/dbraw/zinc/27/08/04/388270804.db2.gz OYHDWUUCTQHENV-UHFFFAOYSA-N 1 0 214.312 2.242 20 30 BEEDRO C=C(C)CC[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451414648 388271456 /nfs/dbraw/zinc/27/14/56/388271456.db2.gz SXUPUGVPRAESRH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[N@H+](CCn1ccnc1)C1CCCCC1 ZINC000491126005 388272227 /nfs/dbraw/zinc/27/22/27/388272227.db2.gz JPWDXFAWLXTHAM-UHFFFAOYSA-N 1 0 231.343 2.151 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000042223119 388274262 /nfs/dbraw/zinc/27/42/62/388274262.db2.gz UCCBHKYYHPVJKQ-UHFFFAOYSA-N 1 0 232.327 2.153 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cnc2ccccn12 ZINC000491165323 388274496 /nfs/dbraw/zinc/27/44/96/388274496.db2.gz JWXBGAMVPWPFBY-UHFFFAOYSA-N 1 0 227.311 2.178 20 30 BEEDRO C#CC[N@@H+](CC)C1CCC(C(=O)OCC)CC1 ZINC000491192581 388276201 /nfs/dbraw/zinc/27/62/01/388276201.db2.gz QDVJGIZDQZSJET-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCC1(OC)CCC1 ZINC000491203038 388277115 /nfs/dbraw/zinc/27/71/15/388277115.db2.gz RULZADMYDVMJNG-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451485999 388277157 /nfs/dbraw/zinc/27/71/57/388277157.db2.gz JNOOIHQCYGTHIQ-ZYHUDNBSSA-N 1 0 222.332 2.083 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+]CC2(C#N)CC2)C1(C)C ZINC000451490149 388277420 /nfs/dbraw/zinc/27/74/20/388277420.db2.gz CYBUKNRPAAVXSJ-NEPJUHHUSA-N 1 0 236.359 2.472 20 30 BEEDRO C#CC[N@@H+](CCOCC=C)C1CCCC1 ZINC000491203807 388277425 /nfs/dbraw/zinc/27/74/25/388277425.db2.gz ZKLUPAYCHSNXCZ-UHFFFAOYSA-N 1 0 207.317 2.067 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1cc(C#N)ccc1OC ZINC000491209832 388277473 /nfs/dbraw/zinc/27/74/73/388277473.db2.gz MGLVCDBFIJWWSP-UHFFFAOYSA-N 1 0 242.322 2.410 20 30 BEEDRO CC1(C)[C@H]([NH2+]CC2(C#N)CC2)[C@@H]2CCCO[C@@H]21 ZINC000451481097 388277605 /nfs/dbraw/zinc/27/76/05/388277605.db2.gz SIBOLBDDRXKGAD-TUAOUCFPSA-N 1 0 234.343 2.083 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cnccc1C ZINC000491210619 388277731 /nfs/dbraw/zinc/27/77/31/388277731.db2.gz WSOLBCXEAVZMSS-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H]1C1CC1 ZINC000491210717 388277798 /nfs/dbraw/zinc/27/77/98/388277798.db2.gz XXPLSRFLSCLXAY-CABCVRRESA-N 1 0 234.387 2.110 20 30 BEEDRO C#CC[N@@H+](CC[C@H](C)O)Cc1ccc(F)cc1 ZINC000491251864 388279852 /nfs/dbraw/zinc/27/98/52/388279852.db2.gz CSIZEERYJXPJAV-LBPRGKRZSA-N 1 0 235.302 2.032 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ncnn1C ZINC000276694563 388351363 /nfs/dbraw/zinc/35/13/63/388351363.db2.gz VDGJUGFJXFZOKT-DCAQKATOSA-N 1 0 222.336 2.066 20 30 BEEDRO C[C@@H]([NH2+]CC1(C)COC1)c1cccc(C#N)c1 ZINC000094721622 388353898 /nfs/dbraw/zinc/35/38/98/388353898.db2.gz RQQQEYTUIXJRQT-LLVKDONJSA-N 1 0 230.311 2.245 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000572711111 388369080 /nfs/dbraw/zinc/36/90/80/388369080.db2.gz MBGBBSGTSGLIHU-CQSZACIVSA-N 1 0 248.374 2.346 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc(C#N)cc1 ZINC000217396082 388372059 /nfs/dbraw/zinc/37/20/59/388372059.db2.gz ODJSADXIPJGMJL-CYBMUJFWSA-N 1 0 245.370 2.378 20 30 BEEDRO C[C@@H](CNc1ccc(C#N)cn1)C[NH+]1CCCC1 ZINC000058003312 388372288 /nfs/dbraw/zinc/37/22/88/388372288.db2.gz CFFVYVOOZXVWCN-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000152891579 388377129 /nfs/dbraw/zinc/37/71/29/388377129.db2.gz HHUZGZKZHIJMOG-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000572830045 388379486 /nfs/dbraw/zinc/37/94/86/388379486.db2.gz XSYGPEKWVULOBV-UONOGXRCSA-N 1 0 239.359 2.223 20 30 BEEDRO CCOC1(C[NH2+]C[C@@H](C#N)CCC#N)CCCC1 ZINC000519813030 256660781 /nfs/dbraw/zinc/66/07/81/256660781.db2.gz KDFHNLVSWJNRCR-CYBMUJFWSA-N 1 0 249.358 2.369 20 30 BEEDRO C=CCOCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000646578020 388387657 /nfs/dbraw/zinc/38/76/57/388387657.db2.gz CEKRZAOTUOMONW-UHFFFAOYSA-N 1 0 248.326 2.067 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000271513812 388391833 /nfs/dbraw/zinc/39/18/33/388391833.db2.gz POLNBPHOALDBNO-IUODEOHRSA-N 1 0 244.338 2.463 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164543543 388392880 /nfs/dbraw/zinc/39/28/80/388392880.db2.gz HGMFLRISUCDPCU-RISCZKNCSA-N 1 0 232.327 2.226 20 30 BEEDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164575254 388394138 /nfs/dbraw/zinc/39/41/38/388394138.db2.gz NTQRBVBRKNWVEV-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(F)c(C#N)c1 ZINC000304595050 388398064 /nfs/dbraw/zinc/39/80/64/388398064.db2.gz LOANNEXHCBUYJT-JTQLQIEISA-N 1 0 236.290 2.164 20 30 BEEDRO C[C@H](Cc1ccoc1)[NH2+]CC1(C#N)CC1 ZINC000514653111 256682489 /nfs/dbraw/zinc/68/24/89/256682489.db2.gz LKIGIZYIBDHGLE-SNVBAGLBSA-N 1 0 204.273 2.104 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](NCc2ccc(C#N)o2)C1 ZINC000175013020 388444816 /nfs/dbraw/zinc/44/48/16/388444816.db2.gz NMTULDXUELDDNO-RYUDHWBXSA-N 1 0 247.342 2.114 20 30 BEEDRO CC(C)(CN1CCCC1)[NH2+]CCCCC#N ZINC000308635458 388445793 /nfs/dbraw/zinc/44/57/93/388445793.db2.gz NYCWZPKKIQTAGK-UHFFFAOYSA-N 1 0 223.364 2.144 20 30 BEEDRO C[C@@H]1CCCC[C@]1(C)[NH2+]CCOCCC#N ZINC000308701103 388448330 /nfs/dbraw/zinc/44/83/30/388448330.db2.gz RUXYYQZYSJYFAT-OLZOCXBDSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H]1CCCC[C@]1(C)[NH2+]CCOCCC#N ZINC000308701105 388448602 /nfs/dbraw/zinc/44/86/02/388448602.db2.gz RUXYYQZYSJYFAT-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnc2ccccn12 ZINC000648840062 388448823 /nfs/dbraw/zinc/44/88/23/388448823.db2.gz IXMNJOAIHZOWHO-UHFFFAOYSA-N 1 0 215.300 2.390 20 30 BEEDRO C[C@@H]1OCC[N@H+](Cc2ccc(CC#N)cc2)[C@H]1C ZINC000335792124 388454219 /nfs/dbraw/zinc/45/42/19/388454219.db2.gz IJMXYNJVPQQOHV-STQMWFEESA-N 1 0 244.338 2.362 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CC1CCCCC1 ZINC000649223889 388462215 /nfs/dbraw/zinc/46/22/15/388462215.db2.gz VDEGOUGEKNFXSM-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[N@H+](CCOCCC#N)CC(C)(C)C ZINC000339209033 388481469 /nfs/dbraw/zinc/48/14/69/388481469.db2.gz UKSPDBXHCMOTLG-UHFFFAOYSA-N 1 0 212.337 2.285 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)CC ZINC000524811419 388410128 /nfs/dbraw/zinc/41/01/28/388410128.db2.gz JTJVMLSWNOESJR-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](NCCC[NH+](C)C)c1ccc(C#N)c(F)c1 ZINC000271934151 388413726 /nfs/dbraw/zinc/41/37/26/388413726.db2.gz MEDDDJVHDJSKRK-LLVKDONJSA-N 1 0 249.333 2.300 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CCCCO1 ZINC000271941809 388414525 /nfs/dbraw/zinc/41/45/25/388414525.db2.gz BTEOCZLFBFNHBI-GXFFZTMASA-N 1 0 234.299 2.198 20 30 BEEDRO CCS[C@@H]1CCC[C@H]1[NH2+]CCOCCC#N ZINC000339182747 388479132 /nfs/dbraw/zinc/47/91/32/388479132.db2.gz BZOZKKPCGSJWNH-VXGBXAGGSA-N 1 0 242.388 2.180 20 30 BEEDRO CC1(C)C[C@H](C[NH2+]C[C@@H](C#N)CCC#N)CCO1 ZINC000573083574 388418858 /nfs/dbraw/zinc/41/88/58/388418858.db2.gz BSAJGPSSBMUKOK-CHWSQXEVSA-N 1 0 249.358 2.225 20 30 BEEDRO COc1ccc(C[C@@H](C)C[NH2+]CCC#N)cc1 ZINC000573083679 388419032 /nfs/dbraw/zinc/41/90/32/388419032.db2.gz BHQQDXGGOTYNJF-GFCCVEGCSA-N 1 0 232.327 2.377 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)N(C)C)ccc1C#N ZINC000443980565 388421390 /nfs/dbraw/zinc/42/13/90/388421390.db2.gz NDZKMFLBRKKPJQ-UHFFFAOYSA-N 1 0 245.370 2.297 20 30 BEEDRO COCC[C@@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443991666 388421420 /nfs/dbraw/zinc/42/14/20/388421420.db2.gz WQJJDNFDDWTOOF-GFCCVEGCSA-N 1 0 232.327 2.381 20 30 BEEDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443986682 388423800 /nfs/dbraw/zinc/42/38/00/388423800.db2.gz LIZBHHVGDBWEJO-CQSZACIVSA-N 1 0 232.327 2.117 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccncn1 ZINC000393802989 388427089 /nfs/dbraw/zinc/42/70/89/388427089.db2.gz NDXKXPBMVLMWIW-WDEREUQCSA-N 1 0 205.305 2.482 20 30 BEEDRO C[C@@H](CCCO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000094941765 388436902 /nfs/dbraw/zinc/43/69/02/388436902.db2.gz AZZWBMLATGKBGH-RYUDHWBXSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](C[C@H](O)CC2(C#N)CC2)[C@H]1C ZINC000528519669 388541007 /nfs/dbraw/zinc/54/10/07/388541007.db2.gz DKYCDAUXSLEBQV-FVCCEPFGSA-N 1 0 236.359 2.017 20 30 BEEDRO C=CCCCC[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000517216695 388541780 /nfs/dbraw/zinc/54/17/80/388541780.db2.gz JHCIGDLXGMHCKK-BETUJISGSA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@@H]1C[C@H](NCc2cccc(C#N)c2)CC[N@@H+]1C ZINC000090721805 388485302 /nfs/dbraw/zinc/48/53/02/388485302.db2.gz IEDMVCPJPGMGGU-IUODEOHRSA-N 1 0 243.354 2.131 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000177548090 388485542 /nfs/dbraw/zinc/48/55/42/388485542.db2.gz FECAFJIMUSDISU-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)(CO)[C@H]([NH2+]CCCCC#N)C1CC1 ZINC000339725283 388486377 /nfs/dbraw/zinc/48/63/77/388486377.db2.gz BNWZDSZLQZIZOX-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000343529236 388501492 /nfs/dbraw/zinc/50/14/92/388501492.db2.gz MORJCFLVVLVZDH-UHFFFAOYSA-N 1 0 246.354 2.347 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397810992 388502029 /nfs/dbraw/zinc/50/20/29/388502029.db2.gz OGHKSZYHJARIRT-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528519676 388512928 /nfs/dbraw/zinc/51/29/28/388512928.db2.gz DKYCDAUXSLEBQV-YVECIDJPSA-N 1 0 236.359 2.017 20 30 BEEDRO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CC2)[C@@H](C)[C@H]1C ZINC000528519672 388512945 /nfs/dbraw/zinc/51/29/45/388512945.db2.gz DKYCDAUXSLEBQV-MROQNXINSA-N 1 0 236.359 2.017 20 30 BEEDRO CC1(C)CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528382687 388517613 /nfs/dbraw/zinc/51/76/13/388517613.db2.gz PRUNOCWYUJWKCP-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[C@@]1(C)CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528406913 388520386 /nfs/dbraw/zinc/52/03/86/388520386.db2.gz UJGYQKSLOBSATM-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000183598609 256840430 /nfs/dbraw/zinc/84/04/30/256840430.db2.gz XGYYYHHHHBEYQK-GFCCVEGCSA-N 1 0 225.295 2.156 20 30 BEEDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000273098822 388590849 /nfs/dbraw/zinc/59/08/49/388590849.db2.gz VGFUEQZZKHZCKA-VXGBXAGGSA-N 1 0 248.326 2.446 20 30 BEEDRO COC(C)(C)C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000549866154 388593282 /nfs/dbraw/zinc/59/32/82/388593282.db2.gz PJMICBKCMOXKIU-MNOVXSKESA-N 1 0 210.321 2.035 20 30 BEEDRO COC(C)(C)C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000549866156 388593428 /nfs/dbraw/zinc/59/34/28/388593428.db2.gz PJMICBKCMOXKIU-WDEREUQCSA-N 1 0 210.321 2.035 20 30 BEEDRO COC(C)(C)C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000549866153 388594125 /nfs/dbraw/zinc/59/41/25/388594125.db2.gz PJMICBKCMOXKIU-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000649308324 388594450 /nfs/dbraw/zinc/59/44/50/388594450.db2.gz WPQBXJDWUJSPNP-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CC[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000037210622 388598234 /nfs/dbraw/zinc/59/82/34/388598234.db2.gz RBOZPGLUZDEZJJ-UHFFFAOYSA-N 1 0 232.302 2.335 20 30 BEEDRO CC(C)[N@H+](C)CC(=O)Nc1ccccc1CC#N ZINC000550100274 388598766 /nfs/dbraw/zinc/59/87/66/388598766.db2.gz RGJCVHVRWOLWKT-UHFFFAOYSA-N 1 0 245.326 2.031 20 30 BEEDRO Cc1ccnc(N[C@@H]2CCC[C@@H]2[NH+](C)C)c1C#N ZINC000357777667 388617880 /nfs/dbraw/zinc/61/78/80/388617880.db2.gz FSQYKGSZGWQJQL-OLZOCXBDSA-N 1 0 244.342 2.156 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)[C@H](C)O1 ZINC000296380083 388601937 /nfs/dbraw/zinc/60/19/37/388601937.db2.gz KIQIREQYSCXWHP-SUNKGSAMSA-N 1 0 230.311 2.214 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000550345404 388606683 /nfs/dbraw/zinc/60/66/83/388606683.db2.gz ZHFRZBGYRMZCRE-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[N@H+](CCNc1cc(C#N)ccn1)C(C)C ZINC000357258498 388612991 /nfs/dbraw/zinc/61/29/91/388612991.db2.gz DUAZFMOYSKFPKN-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO CC[N@H+](CCNc1cc(C)nc(C#N)c1)C(C)C ZINC000357238812 388613021 /nfs/dbraw/zinc/61/30/21/388613021.db2.gz NIMLVWFJSKTBQT-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C1CCN(C(=O)OC)CC1 ZINC000186405968 256864643 /nfs/dbraw/zinc/86/46/43/256864643.db2.gz MTEBQYQLRRGTRH-NSHDSACASA-N 1 0 240.347 2.019 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080644276 388560476 /nfs/dbraw/zinc/56/04/76/388560476.db2.gz KQZSNMJOJYHOKH-LLVKDONJSA-N 1 0 240.347 2.114 20 30 BEEDRO Cc1noc(C)c1C[NH2+]Cc1cccc(C#N)c1 ZINC000037748797 388615733 /nfs/dbraw/zinc/61/57/33/388615733.db2.gz HJOALGPCQUQFPQ-UHFFFAOYSA-N 1 0 241.294 2.453 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@H](COCC)C1 ZINC000528725304 388561841 /nfs/dbraw/zinc/56/18/41/388561841.db2.gz PYBLQRVUJLPUGJ-KBPBESRZSA-N 1 0 241.375 2.469 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000080846737 388562949 /nfs/dbraw/zinc/56/29/49/388562949.db2.gz IWBKNEXAVNKYGP-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000366074775 388564627 /nfs/dbraw/zinc/56/46/27/388564627.db2.gz STONABHHYZGHQN-YNEHKIRRSA-N 1 0 221.344 2.500 20 30 BEEDRO CC#CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738967 388565115 /nfs/dbraw/zinc/56/51/15/388565115.db2.gz IFFYIFFBCOFTKM-UHFFFAOYSA-N 1 0 241.338 2.126 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000528770793 388570260 /nfs/dbraw/zinc/57/02/60/388570260.db2.gz ZNKUEIBOCXWSHL-YFKTTZPYSA-N 1 0 224.348 2.328 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCC(C)(C)C#N ZINC000528770792 388570561 /nfs/dbraw/zinc/57/05/61/388570561.db2.gz ZNKUEIBOCXWSHL-WRWGMCAJSA-N 1 0 224.348 2.328 20 30 BEEDRO C=CC[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000528781889 388572627 /nfs/dbraw/zinc/57/26/27/388572627.db2.gz HMCRDNMSDANQKU-UHFFFAOYSA-N 1 0 242.322 2.340 20 30 BEEDRO C=C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC000517658591 256830925 /nfs/dbraw/zinc/83/09/25/256830925.db2.gz RSINRUATPMDTJH-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000387442377 388581738 /nfs/dbraw/zinc/58/17/38/388581738.db2.gz PSAKXLGUERTYJB-RWMBFGLXSA-N 1 0 210.365 2.271 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000309957784 388666174 /nfs/dbraw/zinc/66/61/74/388666174.db2.gz JJZDXSXJMICJDL-MXQLGCADSA-N 1 0 236.340 2.036 20 30 BEEDRO COc1ccc2c(c1)C[N@@H+](CCCC#N)CC2 ZINC000065162941 388686065 /nfs/dbraw/zinc/68/60/65/388686065.db2.gz URSBMVUUFCMSDX-UHFFFAOYSA-N 1 0 230.311 2.357 20 30 BEEDRO CCCN1CCC[C@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000552100476 388669331 /nfs/dbraw/zinc/66/93/31/388669331.db2.gz JZYKYHKBNFSZBN-IHRRRGAJSA-N 1 0 235.375 2.143 20 30 BEEDRO COC[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000112987564 388671155 /nfs/dbraw/zinc/67/11/55/388671155.db2.gz FKGGIQKDAFNPTL-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO COC[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000112989192 388671248 /nfs/dbraw/zinc/67/12/48/388671248.db2.gz TVKOQZCUJFLHDK-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO CO[C@H](C)C[N@H+](C)Cc1cc(C#N)ccc1F ZINC000272807457 388672172 /nfs/dbraw/zinc/67/21/72/388672172.db2.gz MHXSNKINHNEDCO-SNVBAGLBSA-N 1 0 236.290 2.164 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CCc2cccc(C#N)c2)CO1 ZINC000418040483 388674998 /nfs/dbraw/zinc/67/49/98/388674998.db2.gz IUNKVLPXRPUFBT-CQSZACIVSA-N 1 0 244.338 2.258 20 30 BEEDRO C#CCN(C)Cc1ccn(-c2ccccc2F)n1 ZINC000192221603 388676203 /nfs/dbraw/zinc/67/62/03/388676203.db2.gz PIJQTAMVFBLRJW-UHFFFAOYSA-N 1 0 243.285 2.076 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)CCCC ZINC000125818027 388677887 /nfs/dbraw/zinc/67/78/87/388677887.db2.gz YVKAFYCZIKBGCB-ZDUSSCGKSA-N 1 0 238.375 2.307 20 30 BEEDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000313159131 388681782 /nfs/dbraw/zinc/68/17/82/388681782.db2.gz OVSUSIOWDNNFEQ-UONOGXRCSA-N 1 0 232.327 2.197 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248521788 388683696 /nfs/dbraw/zinc/68/36/96/388683696.db2.gz RSIMUZCZIZSSQW-WUHRBBMRSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@@H](NCCC[NH+](C)C)c1ccc(C#N)cc1F ZINC000358561790 388622561 /nfs/dbraw/zinc/62/25/61/388622561.db2.gz SYRLFVIMRCYJLJ-LLVKDONJSA-N 1 0 249.333 2.300 20 30 BEEDRO C[C@@H](NC[C@H](C)[NH+](C)C)c1ccc(C#N)cc1F ZINC000358576303 388624222 /nfs/dbraw/zinc/62/42/22/388624222.db2.gz TXHZGPRBWPJUCH-WDEREUQCSA-N 1 0 249.333 2.298 20 30 BEEDRO C[NH+](C)CCSc1c(C#N)cccc1C#N ZINC000302905236 388627910 /nfs/dbraw/zinc/62/79/10/388627910.db2.gz VRUQCBXDLWPRQF-UHFFFAOYSA-N 1 0 231.324 2.084 20 30 BEEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000403991886 388632319 /nfs/dbraw/zinc/63/23/19/388632319.db2.gz SIRBQDFVUVLIBJ-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1C#N ZINC000230156318 388634488 /nfs/dbraw/zinc/63/44/88/388634488.db2.gz WOWYINHCZJIRKW-BXUZGUMPSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cccc(C#N)c1 ZINC000230154468 388634855 /nfs/dbraw/zinc/63/48/55/388634855.db2.gz WXKHOKJWPCQHTM-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1CCCN1C ZINC000154607896 388635055 /nfs/dbraw/zinc/63/50/55/388635055.db2.gz QCQUIKGAZACIEJ-STQMWFEESA-N 1 0 210.365 2.415 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)s1 ZINC000230315341 388636413 /nfs/dbraw/zinc/63/64/13/388636413.db2.gz MSSPPXXSMIQVHA-QWHCGFSZSA-N 1 0 248.351 2.277 20 30 BEEDRO N#CCC[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000530243816 388639030 /nfs/dbraw/zinc/63/90/30/388639030.db2.gz KWAHQROZODUPKN-KGYLQXTDSA-N 1 0 232.714 2.481 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCCOC1)c1cccc(C#N)c1 ZINC000109545755 388640120 /nfs/dbraw/zinc/64/01/20/388640120.db2.gz PJGMLOWULMFAKJ-RISCZKNCSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000305823473 388643182 /nfs/dbraw/zinc/64/31/82/388643182.db2.gz PZNPRMLIANCNFD-UWVGGRQHSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCCN1Cc1ccc(C#N)cc1 ZINC000063191726 388660090 /nfs/dbraw/zinc/66/00/90/388660090.db2.gz XVRSTOJMUBGRSL-SWLSCSKDSA-N 1 0 243.354 2.260 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000309534141 388663762 /nfs/dbraw/zinc/66/37/62/388663762.db2.gz CJUSTRIAFCOQRY-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H](O)C(C)C ZINC000414537394 388664552 /nfs/dbraw/zinc/66/45/52/388664552.db2.gz YXFHIQJNNLSBSY-OLZOCXBDSA-N 1 0 236.315 2.036 20 30 BEEDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000414502069 388664765 /nfs/dbraw/zinc/66/47/65/388664765.db2.gz OOIVVXXQGFTILJ-YGRLFVJLSA-N 1 0 248.326 2.444 20 30 BEEDRO CCC[N@H+](CCO)CC(C)(C)CCC#N ZINC000128041893 388736326 /nfs/dbraw/zinc/73/63/26/388736326.db2.gz KRNVVIGRIQSGRJ-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000123928429 388737595 /nfs/dbraw/zinc/73/75/95/388737595.db2.gz LIZPOMSKFCCZQU-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C=C(CC)C[N@@H+](C)Cc1cnn(CC)c1 ZINC000539105458 388748048 /nfs/dbraw/zinc/74/80/48/388748048.db2.gz WMZKQHLNUALWMV-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C)CO)c1ccc(C#N)cc1 ZINC000278281345 388753127 /nfs/dbraw/zinc/75/31/27/388753127.db2.gz PXOXNTCSQMVDDX-FZMZJTMJSA-N 1 0 232.327 2.227 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CCN(C(=O)CC)CC1 ZINC000648733025 388754837 /nfs/dbraw/zinc/75/48/37/388754837.db2.gz LMAGGIWOPFQTSV-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000278575035 388755304 /nfs/dbraw/zinc/75/53/04/388755304.db2.gz CLECTMINMXSXMH-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966481 388687009 /nfs/dbraw/zinc/68/70/09/388687009.db2.gz AGXBMTZYZMLCEQ-JMSVASOKSA-N 1 0 243.354 2.349 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000248648769 388688549 /nfs/dbraw/zinc/68/85/49/388688549.db2.gz UFJSOMBJYDDMJL-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO CC[C@H](NCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000423286788 388689573 /nfs/dbraw/zinc/68/95/73/388689573.db2.gz IUCXEUYYJLEBGE-ZDUSSCGKSA-N 1 0 231.343 2.336 20 30 BEEDRO C[NH2+]CCN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423238120 388689919 /nfs/dbraw/zinc/68/99/19/388689919.db2.gz FEZWPBLZINMQPW-HNNXBMFYSA-N 1 0 243.354 2.135 20 30 BEEDRO C[NH2+]CCN[C@@H]1CCCCc2cc(C#N)ccc21 ZINC000423238121 388689984 /nfs/dbraw/zinc/68/99/84/388689984.db2.gz FEZWPBLZINMQPW-OAHLLOKOSA-N 1 0 243.354 2.135 20 30 BEEDRO C[C@@H](N[C@@H](C[NH3+])C1CC1)c1ccc(C#N)cc1F ZINC000423266747 388689990 /nfs/dbraw/zinc/68/99/90/388689990.db2.gz CFXHVSIQBYBWSR-OTYXRUKQSA-N 1 0 247.317 2.085 20 30 BEEDRO CC(C)[C@H]([NH3+])CN[C@@H](C)c1cccc(C#N)c1 ZINC000423266683 388690247 /nfs/dbraw/zinc/69/02/47/388690247.db2.gz DVMLRVKNYAQSTJ-SMDDNHRTSA-N 1 0 231.343 2.192 20 30 BEEDRO CC[C@@H](NCC(C)(C)[NH3+])c1ccc(C#N)cc1 ZINC000423286787 388690315 /nfs/dbraw/zinc/69/03/15/388690315.db2.gz IUCXEUYYJLEBGE-CYBMUJFWSA-N 1 0 231.343 2.336 20 30 BEEDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423326245 388690942 /nfs/dbraw/zinc/69/09/42/388690942.db2.gz LZNQFHACNCEOKM-LLVKDONJSA-N 1 0 229.327 2.090 20 30 BEEDRO C[C@H](NCC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423326251 388690990 /nfs/dbraw/zinc/69/09/90/388690990.db2.gz LZNQFHACNCEOKM-NSHDSACASA-N 1 0 229.327 2.090 20 30 BEEDRO CC[C@@H](NC[C@H]([NH3+])C1CC1)c1ccc(C#N)cc1 ZINC000423313907 388691038 /nfs/dbraw/zinc/69/10/38/388691038.db2.gz GIPMZPXURCWUOY-LSDHHAIUSA-N 1 0 243.354 2.336 20 30 BEEDRO CC[C@@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1F ZINC000423478515 388693247 /nfs/dbraw/zinc/69/32/47/388693247.db2.gz USFHZMRCRLOMHO-MWLCHTKSSA-N 1 0 235.306 2.085 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCO1 ZINC000248867732 388696920 /nfs/dbraw/zinc/69/69/20/388696920.db2.gz QHIOLEBROUXPFE-FRRDWIJNSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC(C)(C)C[C@@H]1C ZINC000248862976 388697046 /nfs/dbraw/zinc/69/70/46/388697046.db2.gz MPJCXNVJIHLDRA-TUAOUCFPSA-N 1 0 211.349 2.338 20 30 BEEDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(C#N)cc1 ZINC000527762515 388700498 /nfs/dbraw/zinc/70/04/98/388700498.db2.gz DCUQOPFBMQOKHX-DZGCQCFKSA-N 1 0 242.322 2.215 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000527805215 388701030 /nfs/dbraw/zinc/70/10/30/388701030.db2.gz UUBULAGCYAYZNW-OHTBPHCPSA-N 1 0 244.338 2.460 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000527804617 388701215 /nfs/dbraw/zinc/70/12/15/388701215.db2.gz QPWRBIHDLBTSTB-OHTBPHCPSA-N 1 0 244.338 2.460 20 30 BEEDRO C[C@@H]([NH2+]CC12CC(C1)CO2)c1cccc(C#N)c1 ZINC000527985039 388702409 /nfs/dbraw/zinc/70/24/09/388702409.db2.gz XCTJUDCYQLHGBR-NUYPLMSZSA-N 1 0 242.322 2.388 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc(C#N)c1 ZINC000315775167 388709826 /nfs/dbraw/zinc/70/98/26/388709826.db2.gz QNZCLAILEVUTMF-ABAIWWIYSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC000127152736 388716371 /nfs/dbraw/zinc/71/63/71/388716371.db2.gz SFPVWYURNSDEAZ-UPJWGTAASA-N 1 0 238.375 2.045 20 30 BEEDRO C[NH2+][C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000116942582 388718241 /nfs/dbraw/zinc/71/82/41/388718241.db2.gz XSNGVPNDYRCNOF-SNVBAGLBSA-N 1 0 235.718 2.010 20 30 BEEDRO C=CCNC(=O)C[N@@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000249375414 388718236 /nfs/dbraw/zinc/71/82/36/388718236.db2.gz NZLLJCVCVSIZCV-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CO[C@H]1CCC[N@H+](Cc2ccc(C#N)o2)CC1 ZINC000377240381 388724879 /nfs/dbraw/zinc/72/48/79/388724879.db2.gz CURVMFNMRZSMCA-NSHDSACASA-N 1 0 234.299 2.152 20 30 BEEDRO CCCn1cc(CN(CC)CCC#N)cn1 ZINC000127630502 388728810 /nfs/dbraw/zinc/72/88/10/388728810.db2.gz GCOBGBJSMLZJNU-UHFFFAOYSA-N 1 0 220.320 2.029 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000229527933 388793596 /nfs/dbraw/zinc/79/35/96/388793596.db2.gz PIQQYDXIKOZXAL-LLVKDONJSA-N 1 0 218.256 2.096 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(F)cc1F ZINC000229526678 388794132 /nfs/dbraw/zinc/79/41/32/388794132.db2.gz WCDRUDZZNCLRQL-NSHDSACASA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000229879893 388800925 /nfs/dbraw/zinc/80/09/25/388800925.db2.gz FTIPYYYIPKVTLZ-GFCCVEGCSA-N 1 0 209.239 2.466 20 30 BEEDRO CC[C@H]1C[N@H+](Cc2ccc(C#N)o2)CCCO1 ZINC000281413891 388802262 /nfs/dbraw/zinc/80/22/62/388802262.db2.gz YMNDVMFVNBUHIX-NSHDSACASA-N 1 0 234.299 2.152 20 30 BEEDRO C=CCCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000230009870 388809688 /nfs/dbraw/zinc/80/96/88/388809688.db2.gz HRWOWPAIIVDPEI-UHFFFAOYSA-N 1 0 246.354 2.330 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(C#N)cc1F ZINC000330593289 388759169 /nfs/dbraw/zinc/75/91/69/388759169.db2.gz SHUVHNGNLGEMAD-SECBINFHSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000280436175 388781397 /nfs/dbraw/zinc/78/13/97/388781397.db2.gz JYKWQIHKOZSQMY-NEPJUHHUSA-N 1 0 248.326 2.277 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])Nc1ccccc1 ZINC000233294561 388864886 /nfs/dbraw/zinc/86/48/86/388864886.db2.gz UHSSCHWBMDOVGI-NSHDSACASA-N 1 0 215.300 2.425 20 30 BEEDRO Cc1noc(C)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000037505733 388887085 /nfs/dbraw/zinc/88/70/85/388887085.db2.gz UKEPHOZPGACNNW-UHFFFAOYSA-N 1 0 241.294 2.453 20 30 BEEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNCCC#N)C1 ZINC000564853290 388893764 /nfs/dbraw/zinc/89/37/64/388893764.db2.gz ASIXRBCHAVUOHS-CYBMUJFWSA-N 1 0 237.391 2.390 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000564859815 388895000 /nfs/dbraw/zinc/89/50/00/388895000.db2.gz HZRRLVDAIXXSGZ-IHRRRGAJSA-N 1 0 238.375 2.455 20 30 BEEDRO Cc1ccc(O)c(C[NH+]2CCC(CC#N)CC2)n1 ZINC000541921654 388877821 /nfs/dbraw/zinc/87/78/21/388877821.db2.gz PPXHDOBXLCQJMP-UHFFFAOYSA-N 1 0 245.326 2.221 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000565168575 388919558 /nfs/dbraw/zinc/91/95/58/388919558.db2.gz DHHASHKQXGDPKR-CQSZACIVSA-N 1 0 232.327 2.074 20 30 BEEDRO N#CCCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153395702 388970169 /nfs/dbraw/zinc/97/01/69/388970169.db2.gz KELIZZMWGQAOHV-UHFFFAOYSA-N 1 0 245.282 2.257 20 30 BEEDRO C=CCCCC[N@H+]1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000565344885 388938980 /nfs/dbraw/zinc/93/89/80/388938980.db2.gz DXZLBJZGNODMOP-QWHCGFSZSA-N 1 0 242.432 2.320 20 30 BEEDRO CC(C)(C)c1csc(CC[NH2+]CCC#N)n1 ZINC000565534139 388951769 /nfs/dbraw/zinc/95/17/69/388951769.db2.gz AJQGMZZSVWUUNB-UHFFFAOYSA-N 1 0 237.372 2.486 20 30 BEEDRO C=CCCCC[N@@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000565991441 388981962 /nfs/dbraw/zinc/98/19/62/388981962.db2.gz MEEKZRMSYXIFNI-OLZOCXBDSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000274412917 389046119 /nfs/dbraw/zinc/04/61/19/389046119.db2.gz DXYYFKOQWLFTSY-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000274599145 389046979 /nfs/dbraw/zinc/04/69/79/389046979.db2.gz PHROMRKWYVHVHH-UHFFFAOYSA-N 1 0 232.327 2.231 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2cccnc21 ZINC000273484674 389041032 /nfs/dbraw/zinc/04/10/32/389041032.db2.gz MAMHBNVXCNJQKR-CQSZACIVSA-N 1 0 242.322 2.261 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC001172495820 974845528 /nfs/dbraw/zinc/84/55/28/974845528.db2.gz ICIAUPUMCDMOHW-JHJVBQTASA-N 1 0 224.348 2.304 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)CC1CCOCC1 ZINC001172494615 974844772 /nfs/dbraw/zinc/84/47/72/974844772.db2.gz WITQEBLBQTWQAT-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H]2OCC(F)(F)[C@@H]2C1 ZINC001172496502 974844942 /nfs/dbraw/zinc/84/49/42/974844942.db2.gz NBACFWQCFXSHLL-MXWKQRLJSA-N 1 0 244.285 2.035 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(C)nc1C(C)(C)C)C(C)C ZINC000289322984 533267487 /nfs/dbraw/zinc/26/74/87/533267487.db2.gz FYEKMRMAAPKKNO-CYBMUJFWSA-N 1 0 247.386 2.465 20 30 BEEDRO C#C[C@H](C)NC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000187047382 533277953 /nfs/dbraw/zinc/27/79/53/533277953.db2.gz SCSKTGDHMSIATB-NSHDSACASA-N 1 0 241.338 2.314 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CCC[C@@H](C)C1)C(C)(C)C ZINC000262330686 533277961 /nfs/dbraw/zinc/27/79/61/533277961.db2.gz VJAFYWMXOSCDFX-NEPJUHHUSA-N 1 0 235.375 2.081 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000377708768 533297597 /nfs/dbraw/zinc/29/75/97/533297597.db2.gz YZQNQYUGPJJYRJ-JTQLQIEISA-N 1 0 243.285 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](C)C[C@@H](C)O)cc1 ZINC000290487758 533343731 /nfs/dbraw/zinc/34/37/31/533343731.db2.gz VSFXEHZHYVEZTP-CHWSQXEVSA-N 1 0 231.339 2.165 20 30 BEEDRO CC(=O)NC1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000329413907 533417141 /nfs/dbraw/zinc/41/71/41/533417141.db2.gz CLGQDGCESSDKRS-BPCQOVAHSA-N 1 0 240.347 2.043 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000404069589 533440077 /nfs/dbraw/zinc/44/00/77/533440077.db2.gz LBLBBUQPNAPQDJ-QWHCGFSZSA-N 1 0 248.301 2.354 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000352015022 533485433 /nfs/dbraw/zinc/48/54/33/533485433.db2.gz OWDBFANGQRSMQK-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(C)CC[N@@H+](C)C(C)(C)C(=O)OCC ZINC000339788729 533486151 /nfs/dbraw/zinc/48/61/51/533486151.db2.gz USKRFQRURSZAOA-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO C=C(C)CN(C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355716036 533489332 /nfs/dbraw/zinc/48/93/32/533489332.db2.gz RRGHXZGGOXVVPO-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N1CCCC[C@H]1CC ZINC000181290015 533494606 /nfs/dbraw/zinc/49/46/06/533494606.db2.gz KZDCVVQXMKCPKT-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000181271886 533495521 /nfs/dbraw/zinc/49/55/21/533495521.db2.gz FOHLPIVFUUGZPV-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+](C)[C@@H](C)CC ZINC000170915915 533499299 /nfs/dbraw/zinc/49/92/99/533499299.db2.gz KYZVAGAVTPWGOL-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2F)[C@H](C)C1 ZINC000286324829 132214116 /nfs/dbraw/zinc/21/41/16/132214116.db2.gz LBXWJPRZSPKFJQ-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO N#Cc1c(F)cccc1N1CCCC[C@@H]1C[NH3+] ZINC000044559668 132225246 /nfs/dbraw/zinc/22/52/46/132225246.db2.gz DKQGULADODUWRM-SNVBAGLBSA-N 1 0 233.290 2.015 20 30 BEEDRO C[C@@H]1CN(c2cccc(F)c2C#N)C[C@H](C)[N@H+]1C ZINC000135267527 132300251 /nfs/dbraw/zinc/30/02/51/132300251.db2.gz RERSTVQFUQRORR-PHIMTYICSA-N 1 0 247.317 2.226 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)[C@@H](C)C[NH2+]1 ZINC000034575211 132336705 /nfs/dbraw/zinc/33/67/05/132336705.db2.gz YCQNSAKOFYYABG-ZJUUUORDSA-N 1 0 249.745 2.398 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000187379036 133448495 /nfs/dbraw/zinc/44/84/95/133448495.db2.gz VEITZCOTUOCULI-HIFRSBDPSA-N 1 0 233.355 2.392 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1nccnc1C ZINC000188232015 133450887 /nfs/dbraw/zinc/45/08/87/133450887.db2.gz XXIGYEFZESPRSZ-LLVKDONJSA-N 1 0 217.316 2.239 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000308988053 133452356 /nfs/dbraw/zinc/45/23/56/133452356.db2.gz KGZZWPULXVSUQQ-WOPDTQHZSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000309104019 133456881 /nfs/dbraw/zinc/45/68/81/133456881.db2.gz HBLXMVBYGIOQBE-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@@H](CNC(=[NH2+])N(C)C1CC1)c1ccc(F)cc1 ZINC000273340672 133545428 /nfs/dbraw/zinc/54/54/28/133545428.db2.gz MYDUOOFLZJBFKS-JTQLQIEISA-N 1 0 249.333 2.338 20 30 BEEDRO CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000274645159 133548404 /nfs/dbraw/zinc/54/84/04/133548404.db2.gz RVWJEMSMSXPMRL-GMXVVIOVSA-N 1 0 232.331 2.246 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCNc2ccccn2)C1 ZINC000278150483 133552546 /nfs/dbraw/zinc/55/25/46/133552546.db2.gz ACUQPBQNEGQPRQ-STQMWFEESA-N 1 0 244.342 2.165 20 30 BEEDRO CCCNC(=[NH2+])N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000280593233 133556061 /nfs/dbraw/zinc/55/60/61/133556061.db2.gz OEIFFCOKNKOLOS-AULYBMBSSA-N 1 0 249.333 2.386 20 30 BEEDRO C=Cn1cc(C[NH2+]CC2CCC(C#N)CC2)cn1 ZINC000281736021 133558670 /nfs/dbraw/zinc/55/86/70/133558670.db2.gz QDQXYQNWVVBDKD-UHFFFAOYSA-N 1 0 244.342 2.403 20 30 BEEDRO CC[C@@H](CNC(=[NH2+])Nc1ccc(C)c(C)c1)OC ZINC000290477180 133571355 /nfs/dbraw/zinc/57/13/55/133571355.db2.gz FSIVBBCLEBWDFP-ZDUSSCGKSA-N 1 0 249.358 2.455 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1csc(C)c1 ZINC000297170104 133672420 /nfs/dbraw/zinc/67/24/20/133672420.db2.gz DJQKFQPOPINOBG-ONGXEEELSA-N 1 0 211.330 2.254 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCO1)CC2 ZINC000334521615 133681220 /nfs/dbraw/zinc/68/12/20/133681220.db2.gz TYAWVUMLRHOQFZ-HIFRSBDPSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343551976 133691370 /nfs/dbraw/zinc/69/13/70/133691370.db2.gz OGYSYQLZIOHHGS-WFASDCNBSA-N 1 0 244.338 2.115 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC23CC3)c(F)c1 ZINC000335277035 133822687 /nfs/dbraw/zinc/82/26/87/133822687.db2.gz GLZBVKXRAPRREF-LBPRGKRZSA-N 1 0 216.259 2.339 20 30 BEEDRO C[C@@H](CCC#N)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000351643627 133978460 /nfs/dbraw/zinc/97/84/60/133978460.db2.gz IPZRRSFIFUMQOL-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCn3ccnc32)C1 ZINC000331625483 134000927 /nfs/dbraw/zinc/00/09/27/134000927.db2.gz YKXBKTYJJKQFBZ-JHJVBQTASA-N 1 0 244.342 2.042 20 30 BEEDRO C=C(C)CC[N@@H+]1CCc2nc(C)ncc2C1 ZINC000335938659 134013451 /nfs/dbraw/zinc/01/34/51/134013451.db2.gz HIGRDWAQAASJPO-UHFFFAOYSA-N 1 0 217.316 2.109 20 30 BEEDRO C=C(C)CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000352016084 134036570 /nfs/dbraw/zinc/03/65/70/134036570.db2.gz UXRXXVXNGXBXCL-UHFFFAOYSA-N 1 0 231.339 2.072 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](N(CC)CC)C1 ZINC000352024427 134040845 /nfs/dbraw/zinc/04/08/45/134040845.db2.gz GQJCJMHJYOSKTG-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)ccc1C#N ZINC000335997686 134042536 /nfs/dbraw/zinc/04/25/36/134042536.db2.gz KPPCCOAIAWMPFU-ABAIWWIYSA-N 1 0 244.338 2.069 20 30 BEEDRO C=C(C)CC[NH+]1CCC(OCCCOC)CC1 ZINC000352029757 134044624 /nfs/dbraw/zinc/04/46/24/134044624.db2.gz SAAJHXDNURUFBS-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)CCC)C1 ZINC000352122665 134074830 /nfs/dbraw/zinc/07/48/30/134074830.db2.gz GUHZVMLPPLWXGG-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](NC(=O)C(C)C)C1 ZINC000352123372 134075064 /nfs/dbraw/zinc/07/50/64/134075064.db2.gz NGGOHIQCSLPGGY-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000336148142 134103008 /nfs/dbraw/zinc/10/30/08/134103008.db2.gz LLFQORYSSDEVIQ-UHFFFAOYSA-N 1 0 236.359 2.039 20 30 BEEDRO CC[N@H+](C[C@H](C)O)[C@@H](C)c1cccc(C#N)c1 ZINC000352209680 134107773 /nfs/dbraw/zinc/10/77/73/134107773.db2.gz CLMQSJIZDGVLEF-RYUDHWBXSA-N 1 0 232.327 2.322 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCCC[C@@H]2O)ccc1C#N ZINC000336173213 134116004 /nfs/dbraw/zinc/11/60/04/134116004.db2.gz CBAXLIUIPJEPAI-GJZGRUSLSA-N 1 0 244.338 2.260 20 30 BEEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CC1(C#N)CCC1 ZINC000336185921 134121567 /nfs/dbraw/zinc/12/15/67/134121567.db2.gz FBOGWLSZXGMSDZ-WDEREUQCSA-N 1 0 235.331 2.316 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cn(C)nc1C ZINC000336198349 134127610 /nfs/dbraw/zinc/12/76/10/134127610.db2.gz KIKYCISECYTZFX-CYBMUJFWSA-N 1 0 219.332 2.269 20 30 BEEDRO Cc1cc(C[N@H+]2CCC[C@@H](O)[C@H]2C)ccc1C#N ZINC000336218374 134138231 /nfs/dbraw/zinc/13/82/31/134138231.db2.gz YJZZJOAYLSZGAH-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)ccn1 ZINC000336223276 134139755 /nfs/dbraw/zinc/13/97/55/134139755.db2.gz QRISNVVLXIDBKN-DGCLKSJQSA-N 1 0 215.300 2.172 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CC[C@H](C#N)C2)ccn1 ZINC000336223277 134139800 /nfs/dbraw/zinc/13/98/00/134139800.db2.gz QRISNVVLXIDBKN-WCQYABFASA-N 1 0 215.300 2.172 20 30 BEEDRO N#CC1(C[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000336267511 134141499 /nfs/dbraw/zinc/14/14/99/134141499.db2.gz URIJPZLTPCDHPY-UHFFFAOYSA-N 1 0 248.370 2.307 20 30 BEEDRO C[C@@H]1[C@H](C)N(CC#Cc2ccccc2)CC[N@H+]1C ZINC000336311031 134142827 /nfs/dbraw/zinc/14/28/27/134142827.db2.gz DTOHYCRYWFGVSX-CABCVRRESA-N 1 0 242.366 2.063 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC#Cc1ccccc1 ZINC000336311032 134142981 /nfs/dbraw/zinc/14/29/81/134142981.db2.gz DTOHYCRYWFGVSX-GJZGRUSLSA-N 1 0 242.366 2.063 20 30 BEEDRO N#CC1(F)CC[NH+](CCCCF)CC1 ZINC000352458237 134145995 /nfs/dbraw/zinc/14/59/95/134145995.db2.gz HXIBZAKXOYDJTH-UHFFFAOYSA-N 1 0 202.248 2.064 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000336474554 134148194 /nfs/dbraw/zinc/14/81/94/134148194.db2.gz SOGVKRNHCIEFNK-GXTWGEPZSA-N 1 0 225.295 2.340 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCO[C@@H](C)C1 ZINC000352693520 134151300 /nfs/dbraw/zinc/15/13/00/134151300.db2.gz SASDFPLNGDQZKI-AGIUHOORSA-N 1 0 224.348 2.283 20 30 BEEDRO C=C(Cl)CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000167736613 134154012 /nfs/dbraw/zinc/15/40/12/134154012.db2.gz PNWDLUAROHDIEY-RYUDHWBXSA-N 1 0 222.719 2.473 20 30 BEEDRO C=CC[NH2+][C@H](C)c1cccc(NC(C)=O)c1 ZINC000020084819 134154882 /nfs/dbraw/zinc/15/48/82/134154882.db2.gz CLHTZDQCPOODCL-SNVBAGLBSA-N 1 0 218.300 2.482 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353022728 134158956 /nfs/dbraw/zinc/15/89/56/134158956.db2.gz MCJMEFYEOASNDI-NSHDSACASA-N 1 0 249.301 2.140 20 30 BEEDRO N#Cc1ccc(NC[C@@H]([NH3+])C2CC2)cc1Cl ZINC000168238241 134160765 /nfs/dbraw/zinc/16/07/65/134160765.db2.gz VXKNZJGZCTUTLY-GFCCVEGCSA-N 1 0 235.718 2.361 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccccc1OC ZINC000353566581 134164158 /nfs/dbraw/zinc/16/41/58/134164158.db2.gz MKCWCUPXLRHWEV-WCQYABFASA-N 1 0 235.327 2.283 20 30 BEEDRO CSC1(C[N@H+](C)CC(C)(C)C#N)CC1 ZINC000354016723 134165855 /nfs/dbraw/zinc/16/58/55/134165855.db2.gz CBHAKRJRRGRIEM-UHFFFAOYSA-N 1 0 212.362 2.364 20 30 BEEDRO CC(C)CC[N@@H+](CCC#N)CCC[C@H](C)O ZINC000354856293 134170563 /nfs/dbraw/zinc/17/05/63/134170563.db2.gz RCVRUHOCBMFDTC-ZDUSSCGKSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1c(C)cccc1C ZINC000355033284 134171541 /nfs/dbraw/zinc/17/15/41/134171541.db2.gz ISFGKIFFHNXZDT-ZDUSSCGKSA-N 1 0 246.354 2.256 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc2c(cc1OC)OCO2 ZINC000355319193 134172865 /nfs/dbraw/zinc/17/28/65/134172865.db2.gz FJZKGJZULFCRGE-UHFFFAOYSA-N 1 0 249.310 2.432 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H](CO)CC2CCC2)C1 ZINC000355487342 134173418 /nfs/dbraw/zinc/17/34/18/134173418.db2.gz QNKJKZUINHSRKK-MCIONIFRSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000355685376 134174655 /nfs/dbraw/zinc/17/46/55/134174655.db2.gz SPTOYKPMQJLHJV-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO CC(C)[NH+](CCN(C)CCCC#N)C(C)C ZINC000356395637 134178126 /nfs/dbraw/zinc/17/81/26/134178126.db2.gz VECBIEZKWNBXQZ-UHFFFAOYSA-N 1 0 225.380 2.341 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@H+](C)C[C@@H](C)C#N)CCO1 ZINC000356974949 134181335 /nfs/dbraw/zinc/18/13/35/134181335.db2.gz BXNXLMFTIDUWFX-RWMBFGLXSA-N 1 0 224.348 2.283 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@H+](C)[C@H](C)CC#N)CCO1 ZINC000356989356 134181667 /nfs/dbraw/zinc/18/16/67/134181667.db2.gz LMYHFBGFACSOIN-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357505655 134183393 /nfs/dbraw/zinc/18/33/93/134183393.db2.gz XVCGEWTXFCMXDO-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCCCCC(=O)NCC[NH3+] ZINC000114576328 134186695 /nfs/dbraw/zinc/18/66/95/134186695.db2.gz MWFLNNAZJIIHAX-UHFFFAOYSA-N 1 0 214.353 2.202 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000358391459 134187783 /nfs/dbraw/zinc/18/77/83/134187783.db2.gz YNLFFCPYFZCKPP-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CCCN(C)CC[NH+](C(C)C)C(C)C ZINC000360471499 134200758 /nfs/dbraw/zinc/20/07/58/134200758.db2.gz BJNFPEVHEIMDAC-UHFFFAOYSA-N 1 0 224.392 2.450 20 30 BEEDRO CC#CCC[NH2+]Cc1c(C)nn(CCC)c1C ZINC000360956427 134202656 /nfs/dbraw/zinc/20/26/56/134202656.db2.gz HNICHUMVELQFSS-UHFFFAOYSA-N 1 0 233.359 2.413 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000362302512 134209511 /nfs/dbraw/zinc/20/95/11/134209511.db2.gz YEKXNOLNBKEJAW-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](C)Nc1ncc(C)c(N[C@@H](C)C=C)n1 ZINC000362560843 134211806 /nfs/dbraw/zinc/21/18/06/134211806.db2.gz ONUUEHHBCPIEJA-WDEREUQCSA-N 1 0 232.331 2.180 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000367406577 134215524 /nfs/dbraw/zinc/21/55/24/134215524.db2.gz WHSSNUDKHWDODG-KGLIPLIRSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC1CC[NH+](CCC(=O)NCCCC)CC1 ZINC000116279954 134217173 /nfs/dbraw/zinc/21/71/73/134217173.db2.gz SBJVWHIIECKEFX-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000368099594 134217361 /nfs/dbraw/zinc/21/73/61/134217361.db2.gz YXUSACANEURGJA-HNNXBMFYSA-N 1 0 227.307 2.089 20 30 BEEDRO CC#CCC[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000368089879 134217413 /nfs/dbraw/zinc/21/74/13/134217413.db2.gz ADYXWHUKXJAEFG-UONOGXRCSA-N 1 0 233.355 2.433 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](c2ccncn2)C1 ZINC000368140167 134217715 /nfs/dbraw/zinc/21/77/15/134217715.db2.gz ZGOLBSHUSSXYLT-CYBMUJFWSA-N 1 0 229.327 2.069 20 30 BEEDRO C=C(C)C[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000369180707 134221764 /nfs/dbraw/zinc/22/17/64/134221764.db2.gz NGTAQVDQHYJXIH-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](COC)Cc1ccccc1 ZINC000119340583 134226136 /nfs/dbraw/zinc/22/61/36/134226136.db2.gz OTKOKHISIPWNEI-JSGCOSHPSA-N 1 0 219.328 2.408 20 30 BEEDRO Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCC#N ZINC000370414745 134226240 /nfs/dbraw/zinc/22/62/40/134226240.db2.gz LAGPIVXWSCAQMR-CYBMUJFWSA-N 1 0 232.331 2.169 20 30 BEEDRO C#CC[N@@H+](C)C1CCN(c2ccccc2)CC1 ZINC000370640727 134226318 /nfs/dbraw/zinc/22/63/18/134226318.db2.gz UKXPDUHWSDLGIO-UHFFFAOYSA-N 1 0 228.339 2.220 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000371429566 134228675 /nfs/dbraw/zinc/22/86/75/134228675.db2.gz FFNDNDPMUXXWPT-NSHDSACASA-N 1 0 218.304 2.240 20 30 BEEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CCCC#N)C1(C)C ZINC000120570713 134229828 /nfs/dbraw/zinc/22/98/28/134229828.db2.gz WATGYBYBURGENS-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C)COC1)C1CC1 ZINC000121147578 134231777 /nfs/dbraw/zinc/23/17/77/134231777.db2.gz YWDXYTWHFVDIBT-LBPRGKRZSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCOCC[NH2+]C1CCC2(CCCO2)CC1 ZINC000372694219 134232395 /nfs/dbraw/zinc/23/23/95/134232395.db2.gz XIOVMLSQSTUYGE-UHFFFAOYSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](CC)CCO)C1CC1 ZINC000121310161 134233099 /nfs/dbraw/zinc/23/30/99/134233099.db2.gz XVSZIJFAGGXUSI-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000305081666 134239691 /nfs/dbraw/zinc/23/96/91/134239691.db2.gz MPABYQKNUFUIQF-AGIUHOORSA-N 1 0 211.349 2.434 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374408449 134237010 /nfs/dbraw/zinc/23/70/10/134237010.db2.gz ZQCUJGRSLHADAY-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO N#C[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCCO ZINC000304332458 134237046 /nfs/dbraw/zinc/23/70/46/134237046.db2.gz VRIJAIBKTMPEJZ-CABCVRRESA-N 1 0 244.338 2.141 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CC(C)(C)C#N)C12CCC2 ZINC000122273341 134238114 /nfs/dbraw/zinc/23/81/14/134238114.db2.gz DQQMADNSSUSRPG-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374857718 134238237 /nfs/dbraw/zinc/23/82/37/134238237.db2.gz OXEZEPLQYSNIGB-AWEZNQCLSA-N 1 0 235.302 2.295 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000374975910 134238329 /nfs/dbraw/zinc/23/83/29/134238329.db2.gz DJAPDIKYOSTEFV-GJZGRUSLSA-N 1 0 229.323 2.377 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375335935 134239191 /nfs/dbraw/zinc/23/91/91/134239191.db2.gz YGMQOEMXJNXWQK-CYBMUJFWSA-N 1 0 236.363 2.495 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCS[C@H](C(C)C)C1 ZINC000305089512 134239931 /nfs/dbraw/zinc/23/99/31/134239931.db2.gz OZOPKBIDVHMLSO-OLZOCXBDSA-N 1 0 243.416 2.387 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000376043725 134241263 /nfs/dbraw/zinc/24/12/63/134241263.db2.gz RBRPWVSNYRAVLV-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C[C@H]1CCC[N@H+](CCC(C)(C)C#N)[C@@H]1CO ZINC000305697856 134242204 /nfs/dbraw/zinc/24/22/04/134242204.db2.gz VBRNOFGGSDKPLN-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CCC1(CO)CC[NH+](CCCCC#N)CC1 ZINC000305739940 134242363 /nfs/dbraw/zinc/24/23/63/134242363.db2.gz NAQGPTULTDQDDI-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C[N@H+](C[C@@H]1CCC[C@H]1O)CC(C)(C)CCC#N ZINC000305741742 134242408 /nfs/dbraw/zinc/24/24/08/134242408.db2.gz GOPMRNRNOCJBGV-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1 ZINC000377678146 134244266 /nfs/dbraw/zinc/24/42/66/134244266.db2.gz NTAMWRYCHUAFTE-INIZCTEOSA-N 1 0 241.334 2.423 20 30 BEEDRO C=CCC[C@H]([NH2+]CCC(=O)NC(C)C)C1CC1 ZINC000178674757 134313020 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ZINC000309403832 134399879 /nfs/dbraw/zinc/39/98/79/134399879.db2.gz ANPVTNOORPLJDA-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cccs1 ZINC000186704037 134431314 /nfs/dbraw/zinc/43/13/14/134431314.db2.gz MZPLDNAMAZEOIP-ZJUUUORDSA-N 1 0 211.330 2.336 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@]1(C)CCCO1 ZINC000309548318 134451207 /nfs/dbraw/zinc/45/12/07/134451207.db2.gz HJRNLTDXPIHBGG-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000309554168 134453939 /nfs/dbraw/zinc/45/39/39/134453939.db2.gz GYYNEKKPDJGUNH-DGCLKSJQSA-N 1 0 237.730 2.464 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000104174111 134484771 /nfs/dbraw/zinc/48/47/71/134484771.db2.gz FOHAWJZLWDRBTM-PWSUYJOCSA-N 1 0 217.316 2.438 20 30 BEEDRO N#Cc1csc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000230163536 134485572 /nfs/dbraw/zinc/48/55/72/134485572.db2.gz HALAKBUIFSHVOV-SNVBAGLBSA-N 1 0 236.340 2.136 20 30 BEEDRO CCN(CCC[NH+](C)C)c1ccc(C#N)cc1 ZINC000230405715 134514008 /nfs/dbraw/zinc/51/40/08/134514008.db2.gz GFAIRLFQQMXTCB-UHFFFAOYSA-N 1 0 231.343 2.336 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)cc1 ZINC000230668768 134520225 /nfs/dbraw/zinc/52/02/25/134520225.db2.gz BIHUQTAPSMGNGS-GJZGRUSLSA-N 1 0 244.338 2.199 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1 ZINC000230668755 134520625 /nfs/dbraw/zinc/52/06/25/134520625.db2.gz BIHUQTAPSMGNGS-HUUCEWRRSA-N 1 0 244.338 2.199 20 30 BEEDRO Cn1cc(C[NH2+]CCC(C)(C)C)cc1C#N ZINC000232316049 134551356 /nfs/dbraw/zinc/55/13/56/134551356.db2.gz YQLKIRNGFGGWPL-UHFFFAOYSA-N 1 0 219.332 2.423 20 30 BEEDRO CCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233092248 134558694 /nfs/dbraw/zinc/55/86/94/134558694.db2.gz BRBRCEGZBCXDPG-UHFFFAOYSA-N 1 0 204.273 2.066 20 30 BEEDRO C=CCCCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000193310396 134594226 /nfs/dbraw/zinc/59/42/26/134594226.db2.gz XSZZQGAFZBQAJQ-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO COCC(C)(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309488308 134598322 /nfs/dbraw/zinc/59/83/22/134598322.db2.gz WEXLKCCLVJADHM-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2C ZINC000309720990 134599118 /nfs/dbraw/zinc/59/91/18/134599118.db2.gz VZJZUYKKGGXTOF-SMDDNHRTSA-N 1 0 217.312 2.119 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@H](O)CC)C1CC1 ZINC000121702279 134603273 /nfs/dbraw/zinc/60/32/73/134603273.db2.gz QQUJXHGSSAPIKD-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000336730399 134604896 /nfs/dbraw/zinc/60/48/96/134604896.db2.gz JZEWMKWZJPNFME-JQWIXIFHSA-N 1 0 204.317 2.458 20 30 BEEDRO C[C@@H]1CCC[C@H]([NH2+]CCOCCC#N)[C@H]1C ZINC000339098034 134606240 /nfs/dbraw/zinc/60/62/40/134606240.db2.gz UCINYOPMTAYBIA-AGIUHOORSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1cscn1 ZINC000127841780 134611230 /nfs/dbraw/zinc/61/12/30/134611230.db2.gz DICGOXFWAORNFM-VIFPVBQESA-N 1 0 209.318 2.488 20 30 BEEDRO CC[C@@]12C[C@@H](CO1)[N@@H+]([C@H](C)CCCC#N)C2 ZINC001172497599 974849141 /nfs/dbraw/zinc/84/91/41/974849141.db2.gz DCFZKTOCIORGKR-AGIUHOORSA-N 1 0 222.332 2.322 20 30 BEEDRO C=CCCCCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193720889 134814239 /nfs/dbraw/zinc/81/42/39/134814239.db2.gz CLDBVNSZWDDXPR-CQSZACIVSA-N 1 0 239.359 2.224 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000194360096 134823479 /nfs/dbraw/zinc/82/34/79/134823479.db2.gz LQLNPQPANUQZLV-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000246074084 134875925 /nfs/dbraw/zinc/87/59/25/134875925.db2.gz ZTHPDKCJXLIUBW-XQQFMLRXSA-N 1 0 211.349 2.291 20 30 BEEDRO C[C@@H]([NH3+])CCNc1cc(C#N)c2ccccc2n1 ZINC000068771081 134895498 /nfs/dbraw/zinc/89/54/98/134895498.db2.gz VNNVFHWDJZSLFX-SNVBAGLBSA-N 1 0 240.310 2.256 20 30 BEEDRO CO[C@H]1CCCC[C@H]1[NH2+]CCCCC#N ZINC000336752293 134902572 /nfs/dbraw/zinc/90/25/72/134902572.db2.gz GAZUBGYOGVYPTN-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO COCCC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000336757096 134903942 /nfs/dbraw/zinc/90/39/42/134903942.db2.gz HMAXPEUPGSZILU-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCCCC#N ZINC000178649779 134908068 /nfs/dbraw/zinc/90/80/68/134908068.db2.gz YWHSMMWTWZJGND-GFCCVEGCSA-N 1 0 232.331 2.081 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC(CCC)CC1 ZINC000336735203 134917673 /nfs/dbraw/zinc/91/76/73/134917673.db2.gz OATGNGQDPGALEQ-OTTFEQOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](CO)CC(F)F ZINC000336738521 134919769 /nfs/dbraw/zinc/91/97/69/134919769.db2.gz RHDJSDVFSMTQMP-UWVGGRQHSA-N 1 0 221.291 2.337 20 30 BEEDRO CCC(CC)(CC(=O)OC)[NH2+]CCCC#N ZINC000336741472 134921870 /nfs/dbraw/zinc/92/18/70/134921870.db2.gz RDANAIBXMXMLHN-UHFFFAOYSA-N 1 0 226.320 2.002 20 30 BEEDRO CC(C)OC1CC([NH2+]CC2(CC#N)CC2)C1 ZINC000336743484 134922599 /nfs/dbraw/zinc/92/25/99/134922599.db2.gz PFKOAKBTWXLTQW-UHFFFAOYSA-N 1 0 222.332 2.226 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185773400 134932637 /nfs/dbraw/zinc/93/26/37/134932637.db2.gz VBWYKETWFPILPP-OCCSQVGLSA-N 1 0 246.358 2.323 20 30 BEEDRO CNC(=[NH2+])NC[C@@H](Cc1ccccc1)C(C)C ZINC000188962799 134942277 /nfs/dbraw/zinc/94/22/77/134942277.db2.gz DTYFLODQUSGWQL-CYBMUJFWSA-N 1 0 233.359 2.035 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336768075 134961243 /nfs/dbraw/zinc/96/12/43/134961243.db2.gz UIOOUUOAIKQTMH-FRRDWIJNSA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C1CCCC1 ZINC000336769564 134962231 /nfs/dbraw/zinc/96/22/31/134962231.db2.gz VTJVRTAMEZZGDP-YPMHNXCESA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1([S@](C)=O)CCC1 ZINC000336771379 134963549 /nfs/dbraw/zinc/96/35/49/134963549.db2.gz XHLFRYULQJFFBI-ABAIWWIYSA-N 1 0 229.389 2.232 20 30 BEEDRO C=CCN1CC[C@H]([NH2+][C@H](CC)C(C)(C)C)C1=O ZINC000337179589 135004145 /nfs/dbraw/zinc/00/41/45/135004145.db2.gz LKZVGDRFFMFBNL-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO COCC[C@@H]1CCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000337459600 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C=CCN(CC1CCCCC1)C(=O)C[NH+](C)C ZINC000112206392 135026424 /nfs/dbraw/zinc/02/64/24/135026424.db2.gz CTGFXQKGXVHRRX-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO N#CCCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000365899291 135026475 /nfs/dbraw/zinc/02/64/75/135026475.db2.gz ZWGGPNVSSWODFS-ZDUSSCGKSA-N 1 0 230.311 2.274 20 30 BEEDRO C[C@H](C#N)CN(Cc1cccnc1)C1CC1 ZINC000338350902 135034357 /nfs/dbraw/zinc/03/43/57/135034357.db2.gz KSLABIFOGJRZKS-LLVKDONJSA-N 1 0 215.300 2.206 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](O)C1 ZINC000249125727 135034995 /nfs/dbraw/zinc/03/49/95/135034995.db2.gz JCEILTRFZNLRPK-SMDDNHRTSA-N 1 0 230.311 2.076 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)CCC)C1 ZINC000338419726 135036503 /nfs/dbraw/zinc/03/65/03/135036503.db2.gz UMVDDUQYCVLXIM-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000338547057 135038852 /nfs/dbraw/zinc/03/88/52/135038852.db2.gz QOLXWUGJJGXCRR-CQSZACIVSA-N 1 0 222.376 2.226 20 30 BEEDRO 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231.405 2.430 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000339699815 135077516 /nfs/dbraw/zinc/07/75/16/135077516.db2.gz HZBFPVTUCBYVAK-CYBMUJFWSA-N 1 0 211.349 2.293 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339681241 135077533 /nfs/dbraw/zinc/07/75/33/135077533.db2.gz GFJFOWHOIBLOCN-KBPBESRZSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCSCC[NH2+]CC(C)(C)COC ZINC000308548835 135079941 /nfs/dbraw/zinc/07/99/41/135079941.db2.gz WOJOADIZXCURFR-UHFFFAOYSA-N 1 0 217.378 2.168 20 30 BEEDRO C=CCN1CC[N@H+](CC=C)[C@H]2CCCC[C@H]21 ZINC000339733880 135079945 /nfs/dbraw/zinc/07/99/45/135079945.db2.gz MBRHCSZBRRYKQV-OKILXGFUSA-N 1 0 220.360 2.287 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000086500212 135087487 /nfs/dbraw/zinc/08/74/87/135087487.db2.gz AUSFCSTWZAUZOS-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000086500229 135087600 /nfs/dbraw/zinc/08/76/00/135087600.db2.gz NLJMMSKJFCYDOJ-LLVKDONJSA-N 1 0 236.340 2.278 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2(O)CCCC2)c1 ZINC000086500304 135088295 /nfs/dbraw/zinc/08/82/95/135088295.db2.gz NAMSJMBVIOOELR-UHFFFAOYSA-N 1 0 236.340 2.014 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CC[C@H](O)CC2)c1 ZINC000252707751 135098115 /nfs/dbraw/zinc/09/81/15/135098115.db2.gz YAUDUAXZTWYDSH-XYPYZODXSA-N 1 0 236.340 2.013 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000352196340 135104069 /nfs/dbraw/zinc/10/40/69/135104069.db2.gz YHTVUIDTCSETMS-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@H]1CCCOC1 ZINC000352196341 135104494 /nfs/dbraw/zinc/10/44/94/135104494.db2.gz YHTVUIDTCSETMS-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCC(F)(F)C1 ZINC000261798172 135112357 /nfs/dbraw/zinc/11/23/57/135112357.db2.gz LOWCZDRJWZANKH-JTQLQIEISA-N 1 0 245.317 2.292 20 30 BEEDRO Cc1ccc(NC(=[NH2+])N[C@H]2C[C@@H]2C)cc1C ZINC000261973845 135113418 /nfs/dbraw/zinc/11/34/18/135113418.db2.gz FDTJHYRFQBRQED-JQWIXIFHSA-N 1 0 217.316 2.438 20 30 BEEDRO Cc1ccc(NC(=[NH2+])N[C@H]2C[C@H]2C)cc1C ZINC000261973849 135113450 /nfs/dbraw/zinc/11/34/50/135113450.db2.gz FDTJHYRFQBRQED-PWSUYJOCSA-N 1 0 217.316 2.438 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1c2ccccc2O[C@H]1C ZINC000262292137 135117959 /nfs/dbraw/zinc/11/79/59/135117959.db2.gz NVXJLKXSMJQSKX-OUJBWJOFSA-N 1 0 247.342 2.211 20 30 BEEDRO C[NH+]=C(NC1CCC1)N(C)Cc1ccccc1 ZINC000262386368 135117992 /nfs/dbraw/zinc/11/79/92/135117992.db2.gz LKKDANGSIVQVSQ-UHFFFAOYSA-N 1 0 231.343 2.246 20 30 BEEDRO C[C@@H]1C[C@H]1NC(=[NH2+])Nc1cc(F)ccc1F ZINC000262281886 135118044 /nfs/dbraw/zinc/11/80/44/135118044.db2.gz LDEIXTWGAWZYDX-HZGVNTEJSA-N 1 0 225.242 2.100 20 30 BEEDRO C[NH+]=C(N[C@H](C)c1ccccc1)NC1CCC1 ZINC000262331195 135118103 /nfs/dbraw/zinc/11/81/03/135118103.db2.gz BBFMRTCSSBOPHO-LLVKDONJSA-N 1 0 231.343 2.465 20 30 BEEDRO C[NH+]=C(NC1CCC1)N1CCc2ccccc21 ZINC000262384105 135118209 /nfs/dbraw/zinc/11/82/09/135118209.db2.gz KYQPFRIWQDFESN-UHFFFAOYSA-N 1 0 229.327 2.177 20 30 BEEDRO C[C@@H]1C[NH+]=C(N[C@@H]2C[C@H]2c2ccc(Cl)cc2)N1 ZINC000262475940 135118884 /nfs/dbraw/zinc/11/88/84/135118884.db2.gz CCIULMATNWURNC-JFUSQASVSA-N 1 0 249.745 2.133 20 30 BEEDRO N#CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253088920 135120066 /nfs/dbraw/zinc/12/00/66/135120066.db2.gz GBUXUQISZYDGTD-MCIONIFRSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CCCCC[N@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000253085893 135120617 /nfs/dbraw/zinc/12/06/17/135120617.db2.gz AADAFCHAVBOPFL-MGPQQGTHSA-N 1 0 236.359 2.306 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H]1Cc1ccccc1 ZINC000262671937 135120929 /nfs/dbraw/zinc/12/09/29/135120929.db2.gz PSLBSQLSJUFOMA-UBHSHLNASA-N 1 0 245.370 2.320 20 30 BEEDRO Cc1cccc(C(C)(C)CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262671301 135120978 /nfs/dbraw/zinc/12/09/78/135120978.db2.gz RCBOIKLDCAKWQN-GFCCVEGCSA-N 1 0 245.370 2.210 20 30 BEEDRO CC#CC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000253096984 135121104 /nfs/dbraw/zinc/12/11/04/135121104.db2.gz RDGLDBGTNIVCJZ-RBSFLKMASA-N 1 0 235.371 2.415 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000253092907 135121192 /nfs/dbraw/zinc/12/11/92/135121192.db2.gz LOSNHNFXDYRCNW-YNEHKIRRSA-N 1 0 209.333 2.188 20 30 BEEDRO [NH2+]=C(NC1CC1)N[C@H]1C[C@H](c2cccc(F)c2)C1 ZINC000262817213 135122806 /nfs/dbraw/zinc/12/28/06/135122806.db2.gz PBSDMETVXFHPMN-MJHDQNEOSA-N 1 0 247.317 2.138 20 30 BEEDRO N#CC1CCC(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000262807128 135122920 /nfs/dbraw/zinc/12/29/20/135122920.db2.gz SYZUSEHANQUQMM-UHFFFAOYSA-N 1 0 248.374 2.021 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000264058016 135130113 /nfs/dbraw/zinc/13/01/13/135130113.db2.gz BSBXIBZHIAKZAY-ZDUSSCGKSA-N 1 0 247.342 2.209 20 30 BEEDRO CCOc1cccc(CNC(=[NH2+])N(CC)CC)c1 ZINC000264060893 135130988 /nfs/dbraw/zinc/13/09/88/135130988.db2.gz CUNDMJAPPSUWIC-UHFFFAOYSA-N 1 0 249.358 2.242 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccccc1C(F)(F)F ZINC000264069043 135131074 /nfs/dbraw/zinc/13/10/74/135131074.db2.gz FRRJHICLCMMJID-UHFFFAOYSA-N 1 0 245.248 2.082 20 30 BEEDRO CC1CCN(C(=[NH2+])NCc2ccsc2)CC1 ZINC000264105493 135133137 /nfs/dbraw/zinc/13/31/37/135133137.db2.gz PHTMGSFCVQTRIK-UHFFFAOYSA-N 1 0 237.372 2.295 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1cccc(COC)c1 ZINC000264123851 135134195 /nfs/dbraw/zinc/13/41/95/135134195.db2.gz VUPPPZKQYNJFDQ-LLVKDONJSA-N 1 0 249.358 2.036 20 30 BEEDRO CNC(NCCc1ccc2ccccc2c1)=[NH+]C ZINC000264120833 135134214 /nfs/dbraw/zinc/13/42/14/135134214.db2.gz UVGQOLMDCQGFNY-UHFFFAOYSA-N 1 0 241.338 2.177 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H](C)c1ccccc1 ZINC000264125638 135134327 /nfs/dbraw/zinc/13/43/27/135134327.db2.gz SENUVJXPHNCPEF-NWDGAFQWSA-N 1 0 233.359 2.493 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCc1ccccc1 ZINC000264140100 135135081 /nfs/dbraw/zinc/13/50/81/135135081.db2.gz WFFFECJTWBSCMX-GFCCVEGCSA-N 1 0 233.359 2.322 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000264144693 135135583 /nfs/dbraw/zinc/13/55/83/135135583.db2.gz XNIWRARMOUUTAK-UHFFFAOYSA-N 1 0 219.332 2.199 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1ccccc1C ZINC000264148301 135135823 /nfs/dbraw/zinc/13/58/23/135135823.db2.gz YLQVEDAVTYFVPW-UHFFFAOYSA-N 1 0 231.343 2.018 20 30 BEEDRO COc1ccc(CNC(=[NH2+])NCCC(C)C)cc1 ZINC000264143569 135135969 /nfs/dbraw/zinc/13/59/69/135135969.db2.gz XFFHXFUTFBRMEF-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO N#CCC1CC[NH+](Cc2ccncc2)CC1 ZINC000259187523 135137923 /nfs/dbraw/zinc/13/79/23/135137923.db2.gz MADGVSZOTFGGNY-UHFFFAOYSA-N 1 0 215.300 2.207 20 30 BEEDRO C[C@H]1C[C@@H](C[NH+]2CCC(CC#N)CC2)CCO1 ZINC000260172195 135147941 /nfs/dbraw/zinc/14/79/41/135147941.db2.gz TYZPTGXMEHJCQA-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H](C)c1ccc(C)cc1 ZINC000267398092 135154455 /nfs/dbraw/zinc/15/44/55/135154455.db2.gz FIVXZJHDQIHXNK-GFCCVEGCSA-N 1 0 231.343 2.189 20 30 BEEDRO CCc1ccccc1CNC(=[NH2+])N[C@H](C)CC ZINC000267472247 135154786 /nfs/dbraw/zinc/15/47/86/135154786.db2.gz YDHJDSHTNCIZRL-LLVKDONJSA-N 1 0 233.359 2.452 20 30 BEEDRO Cc1ccc([C@@H](C)CNC(=[NH2+])NC2CC2)cc1 ZINC000267450456 135154803 /nfs/dbraw/zinc/15/48/03/135154803.db2.gz RHEZCWPPINRVAK-NSHDSACASA-N 1 0 231.343 2.165 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NCC(C)C)cc1 ZINC000267460919 135154877 /nfs/dbraw/zinc/15/48/77/135154877.db2.gz VCJXDGLBEDBHKF-UHFFFAOYSA-N 1 0 233.359 2.098 20 30 BEEDRO Cc1ccc([C@H](C)CNC(=[NH2+])NC2CC2)cc1 ZINC000267450453 135155072 /nfs/dbraw/zinc/15/50/72/135155072.db2.gz RHEZCWPPINRVAK-LLVKDONJSA-N 1 0 231.343 2.165 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608503 135159145 /nfs/dbraw/zinc/15/91/45/135159145.db2.gz KDGRCDNRTVLRJI-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)CCCO1 ZINC000087595555 135159850 /nfs/dbraw/zinc/15/98/50/135159850.db2.gz NWRLCKXONSUFOU-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000087595536 135160343 /nfs/dbraw/zinc/16/03/43/135160343.db2.gz QRZKHHDXWRYMID-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261531688 135161156 /nfs/dbraw/zinc/16/11/56/135161156.db2.gz HMNNOSYUEPTEOY-KOLCDFICSA-N 1 0 209.337 2.022 20 30 BEEDRO C[C@H]1CC[C@H]1NC(=[NH2+])Nc1ccccc1 ZINC000261533206 135164512 /nfs/dbraw/zinc/16/45/12/135164512.db2.gz KLQZFZANRKVHSL-GXSJLCMTSA-N 1 0 203.289 2.212 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1cc(C)cc(OC)c1 ZINC000269734485 135167445 /nfs/dbraw/zinc/16/74/45/135167445.db2.gz ZQHSCVBPGPBVMV-NSHDSACASA-N 1 0 249.358 2.206 20 30 BEEDRO CC#CCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000270555325 135172558 /nfs/dbraw/zinc/17/25/58/135172558.db2.gz HNZMEXLDUMOKDM-UHFFFAOYSA-N 1 0 215.300 2.053 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](c1ccccc1)C1CC1 ZINC000292402637 135175707 /nfs/dbraw/zinc/17/57/07/135175707.db2.gz XLHBSXBDXIBUOC-AWEZNQCLSA-N 1 0 245.370 2.495 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1cc(Cl)cn1C ZINC000292835182 135177777 /nfs/dbraw/zinc/17/77/77/135177777.db2.gz PCYUHKPODZLGIH-UHFFFAOYSA-N 1 0 242.750 2.313 20 30 BEEDRO CC(C)CC1(CNC2=[NH+]CCN2C)CCCC1 ZINC000261542119 135182825 /nfs/dbraw/zinc/18/28/25/135182825.db2.gz BVAZOXYEAUGOJJ-UHFFFAOYSA-N 1 0 237.391 2.484 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000293840916 135183654 /nfs/dbraw/zinc/18/36/54/135183654.db2.gz QNYCACOCILJWRO-UONOGXRCSA-N 1 0 246.358 2.206 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)C(C)(C)OC)CC1 ZINC000340479831 135187036 /nfs/dbraw/zinc/18/70/36/135187036.db2.gz UPNSTFVDJRPRPY-LBPRGKRZSA-N 1 0 240.391 2.040 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1ccc(C#N)cc1 ZINC000353572566 135190213 /nfs/dbraw/zinc/19/02/13/135190213.db2.gz YFVYZMBOTRAFPI-KBPBESRZSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000295943357 135190784 /nfs/dbraw/zinc/19/07/84/135190784.db2.gz LFGQMLZNXNQNOA-HNNXBMFYSA-N 1 0 246.354 2.464 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](c2ccccc2)[C@@H]1C ZINC000353576796 135190852 /nfs/dbraw/zinc/19/08/52/135190852.db2.gz ADJBFWLQIWQYTC-PMOUVXMZSA-N 1 0 231.339 2.315 20 30 BEEDRO N#Cc1ccc(N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000084212692 135192191 /nfs/dbraw/zinc/19/21/91/135192191.db2.gz WKXBACSTEBKFFL-AAEUAGOBSA-N 1 0 215.300 2.098 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000298389529 135199196 /nfs/dbraw/zinc/19/91/96/135199196.db2.gz OGXRSUWKVKSKIB-DZGCQCFKSA-N 1 0 246.354 2.214 20 30 BEEDRO Cc1nc(NCC2([NH3+])CCCCC2)ccc1C#N ZINC000261559142 135199928 /nfs/dbraw/zinc/19/99/28/135199928.db2.gz DKURFOTXYDEMFJ-UHFFFAOYSA-N 1 0 244.342 2.335 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000298732115 135200119 /nfs/dbraw/zinc/20/01/19/135200119.db2.gz VHVHRZXGQKEFEY-NWDGAFQWSA-N 1 0 232.331 2.281 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)c1ccccn1 ZINC000298893821 135201116 /nfs/dbraw/zinc/20/11/16/135201116.db2.gz LOCBXVKFJSXEEN-WDEREUQCSA-N 1 0 203.289 2.424 20 30 BEEDRO Cc1c(Cl)cnc(NCC(C)(C)[NH3+])c1C#N ZINC000261562114 135203815 /nfs/dbraw/zinc/20/38/15/135203815.db2.gz BBOVXBFDELZTDI-UHFFFAOYSA-N 1 0 238.722 2.064 20 30 BEEDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(Cl)cc1C#N ZINC000261564188 135206193 /nfs/dbraw/zinc/20/61/93/135206193.db2.gz CJFGPATYLGOAFQ-KWQFWETISA-N 1 0 235.718 2.138 20 30 BEEDRO C[C@H]1CCN(c2ccc(C#N)cc2F)C[C@@H]1C[NH3+] ZINC000163969256 135209414 /nfs/dbraw/zinc/20/94/14/135209414.db2.gz KPYFIJDYDFDNNZ-JQWIXIFHSA-N 1 0 247.317 2.118 20 30 BEEDRO C=CCSCC[NH2+]Cc1cnn(CCC)c1 ZINC000164116428 135214093 /nfs/dbraw/zinc/21/40/93/135214093.db2.gz ORNWUDVINKIXNW-UHFFFAOYSA-N 1 0 239.388 2.302 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000121418400 135223296 /nfs/dbraw/zinc/22/32/96/135223296.db2.gz KCUKAWBWAAOBLB-UHFFFAOYSA-N 1 0 216.284 2.185 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000340877446 135230287 /nfs/dbraw/zinc/23/02/87/135230287.db2.gz BLZCGNMYSMHSRV-KGLIPLIRSA-N 1 0 241.375 2.205 20 30 BEEDRO [NH2+]=C(NC[C@H]1CC=CCC1)NC1CCCC1 ZINC000261590310 135231017 /nfs/dbraw/zinc/23/10/17/135231017.db2.gz UMBWQXYWFKIAPJ-NSHDSACASA-N 1 0 221.348 2.190 20 30 BEEDRO C=CCCC[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000341180804 135234823 /nfs/dbraw/zinc/23/48/23/135234823.db2.gz DYIUILSKHSLXTH-UHFFFAOYSA-N 1 0 249.333 2.309 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000341266768 135235388 /nfs/dbraw/zinc/23/53/88/135235388.db2.gz BUQVMDRZQVPUGJ-DMDPSCGWSA-N 1 0 233.359 2.457 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccccc1OCC ZINC000341327361 135236419 /nfs/dbraw/zinc/23/64/19/135236419.db2.gz ZSSMJSGITDHUDV-CYBMUJFWSA-N 1 0 249.354 2.360 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341789110 135243430 /nfs/dbraw/zinc/24/34/30/135243430.db2.gz BOZGVEWOPYKBCT-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000341874501 135244218 /nfs/dbraw/zinc/24/42/18/135244218.db2.gz GTYOEXOFXNXDFC-NEPJUHHUSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000342024687 135246357 /nfs/dbraw/zinc/24/63/57/135246357.db2.gz UFRLUFZKGAAOAJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)NCC1(C)CC1 ZINC000261700814 135246453 /nfs/dbraw/zinc/24/64/53/135246453.db2.gz GDWSFPGFLGDONI-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@](C)(c2ccccc2)C1 ZINC000261715283 135247816 /nfs/dbraw/zinc/24/78/16/135247816.db2.gz HTEGKDVXWLLPIL-RIBQPWQFSA-N 1 0 245.370 2.197 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](Cc1ccccc1)C(=O)OC ZINC000342086979 135249400 /nfs/dbraw/zinc/24/94/00/135249400.db2.gz IEAQFMYSPKQZCR-TZMCWYRMSA-N 1 0 247.338 2.182 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1cc2ccccc2[nH]1 ZINC000261751238 135249856 /nfs/dbraw/zinc/24/98/56/135249856.db2.gz JUDHHVLCFORFHX-JTQLQIEISA-N 1 0 244.342 2.371 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)C[C@@H](C)[NH3+] ZINC000261784169 135252968 /nfs/dbraw/zinc/25/29/68/135252968.db2.gz JTJWUFCVAMDNSE-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO Cn1cc(C[NH2+]CC(C)(C)CCC#N)cc1C#N ZINC000342286755 135256553 /nfs/dbraw/zinc/25/65/53/135256553.db2.gz SWJIKGORHYIGRK-UHFFFAOYSA-N 1 0 244.342 2.316 20 30 BEEDRO Cc1cc(C[NH2+]CC2=CCCOC2)ccc1C#N ZINC000342298367 135257014 /nfs/dbraw/zinc/25/70/14/135257014.db2.gz SJBOUYTUIWSFOM-UHFFFAOYSA-N 1 0 242.322 2.303 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1CCCC(F)(F)C1 ZINC000261844556 135257264 /nfs/dbraw/zinc/25/72/64/135257264.db2.gz PKKKNQWDABEWIS-SNVBAGLBSA-N 1 0 247.333 2.372 20 30 BEEDRO C=CCOc1ccccc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261988099 135269344 /nfs/dbraw/zinc/26/93/44/135269344.db2.gz JZPXYLJACUQCJU-TZMCWYRMSA-N 1 0 246.354 2.030 20 30 BEEDRO C[C@@H]1CCC[C@@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261986384 135269948 /nfs/dbraw/zinc/26/99/48/135269948.db2.gz KDJMIQAZWKGDGB-VXGBXAGGSA-N 1 0 225.380 2.292 20 30 BEEDRO CC1CCC(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000262012072 135272337 /nfs/dbraw/zinc/27/23/37/135272337.db2.gz UOIQRNXKKGAHON-UHFFFAOYSA-N 1 0 225.380 2.292 20 30 BEEDRO CN(C(=[NH2+])NCc1coc2ccccc12)C1CC1 ZINC000262205730 135289496 /nfs/dbraw/zinc/28/94/96/135289496.db2.gz HZSZVBFYGQBVSB-UHFFFAOYSA-N 1 0 243.310 2.342 20 30 BEEDRO CN(C(=[NH2+])NCc1cc2ccccc2[nH]1)C1CC1 ZINC000262295091 135291681 /nfs/dbraw/zinc/29/16/81/135291681.db2.gz YIMKSAXMXGIKNZ-UHFFFAOYSA-N 1 0 242.326 2.077 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000262330122 135293277 /nfs/dbraw/zinc/29/32/77/135293277.db2.gz FEKOVMXUWHQDLK-WOPDTQHZSA-N 1 0 223.364 2.149 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262469042 135301075 /nfs/dbraw/zinc/30/10/75/135301075.db2.gz UCQFIGOJUZIYJC-RKDXNWHRSA-N 1 0 233.306 2.125 20 30 BEEDRO CC[NH+]=C(NCC(C)(C)SC)N1CCCC1 ZINC000262466754 135301147 /nfs/dbraw/zinc/30/11/47/135301147.db2.gz YHYHDCNGDYGTEL-UHFFFAOYSA-N 1 0 243.420 2.189 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262469041 135301241 /nfs/dbraw/zinc/30/12/41/135301241.db2.gz UCQFIGOJUZIYJC-IUCAKERBSA-N 1 0 233.306 2.125 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC1C(C)(C)C1(C)C ZINC000262485477 135301488 /nfs/dbraw/zinc/30/14/88/135301488.db2.gz SKGSZJMQAGHTFY-MRVPVSSYSA-N 1 0 211.353 2.124 20 30 BEEDRO N#CCC1(CNC(=[NH2+])NC2CCCCCC2)CC1 ZINC000262483511 135301661 /nfs/dbraw/zinc/30/16/61/135301661.db2.gz WECAANJKOCCXGP-UHFFFAOYSA-N 1 0 248.374 2.307 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H]1C1CCCCC1 ZINC000262503187 135303415 /nfs/dbraw/zinc/30/34/15/135303415.db2.gz AMYQNYKLJZADRB-QWHCGFSZSA-N 1 0 235.375 2.436 20 30 BEEDRO C[NH+]=C(NCc1ccc(Cl)s1)NC(C)C ZINC000262526252 135304223 /nfs/dbraw/zinc/30/42/23/135304223.db2.gz GSEFHZLIBVADIW-UHFFFAOYSA-N 1 0 245.779 2.475 20 30 BEEDRO COc1cccc(NC(=[NH2+])N[C@H]2CC[C@H]2C)c1 ZINC000262625741 135309555 /nfs/dbraw/zinc/30/95/55/135309555.db2.gz DILOEPUQQGMBTK-SKDRFNHKSA-N 1 0 233.315 2.220 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC[C@@H](c2ccccc2)C2CC2)N1 ZINC000262638104 135310318 /nfs/dbraw/zinc/31/03/18/135310318.db2.gz ITQCSLANUIONDW-RISCZKNCSA-N 1 0 243.354 2.118 20 30 BEEDRO CC1CCC(C)(CNC2=[NH+]CCN2C)CC1 ZINC000262676370 135312780 /nfs/dbraw/zinc/31/27/80/135312780.db2.gz UBBWDAMAVKYMQM-UHFFFAOYSA-N 1 0 223.364 2.094 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000342717487 135313857 /nfs/dbraw/zinc/31/38/57/135313857.db2.gz FWZRWMHZIXXWED-BETUJISGSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc2ccccn12 ZINC000342732996 135316299 /nfs/dbraw/zinc/31/62/99/135316299.db2.gz HOVVVWMGEHVWEX-UHFFFAOYSA-N 1 0 215.300 2.342 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cscc1C ZINC000262773266 135317339 /nfs/dbraw/zinc/31/73/39/135317339.db2.gz JISFKAGPMFOWEY-UHFFFAOYSA-N 1 0 223.345 2.037 20 30 BEEDRO C[NH+]=C(NC1CCC1)N[C@@H]1CCC[C@H](C)C1 ZINC000262805544 135319279 /nfs/dbraw/zinc/31/92/79/135319279.db2.gz SQZDEPQBLXPKSF-CMPLNLGQSA-N 1 0 223.364 2.283 20 30 BEEDRO Cc1cscc1C[NH+]=C(N(C)C)N(C)C ZINC000262828237 135320653 /nfs/dbraw/zinc/32/06/53/135320653.db2.gz YYEIYBYXWGDPLO-UHFFFAOYSA-N 1 0 225.361 2.036 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CC1)NC1CCCCC1 ZINC000262849029 135322020 /nfs/dbraw/zinc/32/20/20/135322020.db2.gz WICJKBBEKAEZEY-NWDGAFQWSA-N 1 0 221.348 2.022 20 30 BEEDRO CN1CC[NH+]=C1NC[C@@H]1CCCC(C)(C)C1 ZINC000263048341 135329165 /nfs/dbraw/zinc/32/91/65/135329165.db2.gz DFYVVBMHSHWRIS-LLVKDONJSA-N 1 0 223.364 2.094 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@@]1(F)c1ccccc1)NC1CCC1 ZINC000263071779 135331138 /nfs/dbraw/zinc/33/11/38/135331138.db2.gz PQMCBHJRWNNPTP-GXTWGEPZSA-N 1 0 247.317 2.081 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@]1(F)c1ccccc1)NC1CCC1 ZINC000263071780 135331237 /nfs/dbraw/zinc/33/12/37/135331237.db2.gz PQMCBHJRWNNPTP-JSGCOSHPSA-N 1 0 247.317 2.081 20 30 BEEDRO C[C@@H]1CCC[C@@H](CNC2=[NH+]CCCN2C)[C@@H]1C ZINC000263075558 135331277 /nfs/dbraw/zinc/33/12/77/135331277.db2.gz HDQHHNVZQMZTFV-UPJWGTAASA-N 1 0 237.391 2.340 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NC[C@@H]2C[C@H]2C2CCC2)C1 ZINC000263083063 135331531 /nfs/dbraw/zinc/33/15/31/135331531.db2.gz SCQLMHGOZBQATF-XBFCOCLRSA-N 1 0 249.402 2.469 20 30 BEEDRO CC[C@@H]1CCCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000263094734 135332553 /nfs/dbraw/zinc/33/25/53/135332553.db2.gz JEEMXHGMWBJDDP-UTUOFQBUSA-N 1 0 223.364 2.140 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC1 ZINC000263104162 135333294 /nfs/dbraw/zinc/33/32/94/135333294.db2.gz KJLPDLZHDPQRQV-NWDGAFQWSA-N 1 0 249.745 2.216 20 30 BEEDRO CCC[C@@H]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000263137930 135335015 /nfs/dbraw/zinc/33/50/15/135335015.db2.gz NWTRCYYKZVPKKQ-OLZOCXBDSA-N 1 0 237.391 2.484 20 30 BEEDRO CCC[C@H]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000263137932 135335074 /nfs/dbraw/zinc/33/50/74/135335074.db2.gz NWTRCYYKZVPKKQ-STQMWFEESA-N 1 0 237.391 2.484 20 30 BEEDRO Cc1csc(CNC(=[NH2+])NC(C)(C)C)c1 ZINC000263156818 135336392 /nfs/dbraw/zinc/33/63/92/135336392.db2.gz NINQTUINVLJQKT-UHFFFAOYSA-N 1 0 225.361 2.259 20 30 BEEDRO Cc1csc(C[NH+]=C(N(C)C)N(C)C)c1 ZINC000263192346 135338377 /nfs/dbraw/zinc/33/83/77/135338377.db2.gz VZFGTIDKPASMSR-UHFFFAOYSA-N 1 0 225.361 2.036 20 30 BEEDRO CCC1(CNC(=[NH2+])N2CCC2)CCCCC1 ZINC000263191681 135338617 /nfs/dbraw/zinc/33/86/17/135338617.db2.gz VUXJZQARHVBQOI-UHFFFAOYSA-N 1 0 223.364 2.367 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCC[C@@H]1C1CC1)NC1CCC1 ZINC000263207840 135339653 /nfs/dbraw/zinc/33/96/53/135339653.db2.gz YOJYEULTJPBKMV-WCQYABFASA-N 1 0 235.375 2.270 20 30 BEEDRO CCNC(NCc1ccc(F)c(F)c1)=[NH+]CC ZINC000263962697 135361925 /nfs/dbraw/zinc/36/19/25/135361925.db2.gz KTXSBXWUAZSLGC-UHFFFAOYSA-N 1 0 241.285 2.040 20 30 BEEDRO CN(C)c1ccc(C[NH2+]CCCC#N)cc1 ZINC000272945755 135365848 /nfs/dbraw/zinc/36/58/48/135365848.db2.gz HTTNZHYHTNZZSS-UHFFFAOYSA-N 1 0 217.316 2.146 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cn[nH]c1 ZINC000278658109 135368022 /nfs/dbraw/zinc/36/80/22/135368022.db2.gz IOATXUPJIITETG-UMNHJUIQSA-N 1 0 218.304 2.143 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000282635792 135371420 /nfs/dbraw/zinc/37/14/20/135371420.db2.gz BFBUPODGKOFWGK-GHMZBOCLSA-N 1 0 213.321 2.130 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000282635793 135371655 /nfs/dbraw/zinc/37/16/55/135371655.db2.gz BFBUPODGKOFWGK-MNOVXSKESA-N 1 0 213.321 2.130 20 30 BEEDRO C#CC[NH2+][C@H](COC)c1cccc(Cl)c1 ZINC000288838646 135373359 /nfs/dbraw/zinc/37/33/59/135373359.db2.gz OKQHOOXJYRWKDP-GFCCVEGCSA-N 1 0 223.703 2.250 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000334367654 135374922 /nfs/dbraw/zinc/37/49/22/135374922.db2.gz KUZQCWMABGLQPZ-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C[N@H+](CCOCCC#N)CCc1ccccc1 ZINC000293448055 135376278 /nfs/dbraw/zinc/37/62/78/135376278.db2.gz KLEGANMAVBDWPZ-UHFFFAOYSA-N 1 0 232.327 2.091 20 30 BEEDRO COc1cccc([C@H](C)[NH2+]CCOCCC#N)c1 ZINC000293778149 135376338 /nfs/dbraw/zinc/37/63/38/135376338.db2.gz LPLKJXUWDQQQEB-LBPRGKRZSA-N 1 0 248.326 2.276 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)[C@@H]1C ZINC000334376260 135376558 /nfs/dbraw/zinc/37/65/58/135376558.db2.gz VOLUJZGKNUWIGW-GHMZBOCLSA-N 1 0 200.285 2.398 20 30 BEEDRO C=CCOCC[NH2+]C(C)(C)c1nc(C)cs1 ZINC000293885099 135377541 /nfs/dbraw/zinc/37/75/41/135377541.db2.gz ULLMZWKZNCUZIV-UHFFFAOYSA-N 1 0 240.372 2.479 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000293853174 135378003 /nfs/dbraw/zinc/37/80/03/135378003.db2.gz CUBZQRWUDNXPCQ-GHMZBOCLSA-N 1 0 237.372 2.398 20 30 BEEDRO C[C@@H]([N@H+](C)CC#Cc1ccccc1)C(C)(C)O ZINC000295040524 135378695 /nfs/dbraw/zinc/37/86/95/135378695.db2.gz AJPPZIVNXDJVMV-CYBMUJFWSA-N 1 0 231.339 2.129 20 30 BEEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(C)o1 ZINC000295087246 135379111 /nfs/dbraw/zinc/37/91/11/135379111.db2.gz UNDXUOKTUIVXLS-CYBMUJFWSA-N 1 0 234.343 2.194 20 30 BEEDRO CC[N@H+](CCCC(C)(C)C#N)CC(C)(C)O ZINC000081745601 135388282 /nfs/dbraw/zinc/38/82/82/135388282.db2.gz JSIJWDSYCZNPKE-UHFFFAOYSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H](C)[C@H](C)CO ZINC000077422213 135392039 /nfs/dbraw/zinc/39/20/39/135392039.db2.gz JBXGOBGZIHGPQI-CHWSQXEVSA-N 1 0 249.354 2.358 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164559669 135397094 /nfs/dbraw/zinc/39/70/94/135397094.db2.gz HULJFPNAXJAMCC-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000081708838 135429181 /nfs/dbraw/zinc/42/91/81/135429181.db2.gz JKUDUDJTAPUOSC-LBPRGKRZSA-N 1 0 248.326 2.104 20 30 BEEDRO CCCC[N@H+](CCO)CCC(C)(C)C#N ZINC000083640369 135452863 /nfs/dbraw/zinc/45/28/63/135452863.db2.gz YQAWDMRRXWSZSH-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO CC(C)CC1(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000134041858 135511960 /nfs/dbraw/zinc/51/19/60/135511960.db2.gz WQPKIQGLEGEDNK-UHFFFAOYSA-N 1 0 225.380 2.292 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)CC[C@H](C)[NH3+] ZINC000193200927 135586688 /nfs/dbraw/zinc/58/66/88/135586688.db2.gz ZXFXBNSSGLRPAD-ZDUSSCGKSA-N 1 0 246.354 2.329 20 30 BEEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343314858 135621710 /nfs/dbraw/zinc/62/17/10/135621710.db2.gz OPTNQXGYYAMVPZ-NWDGAFQWSA-N 1 0 236.359 2.426 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1C ZINC000289700791 135623561 /nfs/dbraw/zinc/62/35/61/135623561.db2.gz DNOWLSADAWDCOG-TZMCWYRMSA-N 1 0 219.328 2.063 20 30 BEEDRO CCC[C@]1(CO)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000344124892 135745122 /nfs/dbraw/zinc/74/51/22/135745122.db2.gz HPBFXFKEAYORAN-AWEZNQCLSA-N 1 0 238.375 2.411 20 30 BEEDRO C=CCOCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000347962101 136017715 /nfs/dbraw/zinc/01/77/15/136017715.db2.gz IESGSTIXRYEUQN-UHFFFAOYSA-N 1 0 249.358 2.182 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000348023411 136022762 /nfs/dbraw/zinc/02/27/62/136022762.db2.gz BALWDGQQHVJBCG-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@H](CCC)C1 ZINC000348057786 136023648 /nfs/dbraw/zinc/02/36/48/136023648.db2.gz PMXLCSAXGQRDJD-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000348061497 136024958 /nfs/dbraw/zinc/02/49/58/136024958.db2.gz YWKPBYMWOOMLDA-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCOCCC[N@@H+]1CCSC(C)(C)C1 ZINC000348045718 136029415 /nfs/dbraw/zinc/02/94/15/136029415.db2.gz CMOGSIWHAYTICV-UHFFFAOYSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000348052308 136030947 /nfs/dbraw/zinc/03/09/47/136030947.db2.gz NVQMRMPFSYPBFR-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348114108 136037721 /nfs/dbraw/zinc/03/77/21/136037721.db2.gz GOADMOZDHBDKPT-IUCAKERBSA-N 1 0 205.248 2.312 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000348146409 136039270 /nfs/dbraw/zinc/03/92/70/136039270.db2.gz FEJUCGCCNJCYLW-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]2C(F)F)cc1 ZINC000348215364 136046004 /nfs/dbraw/zinc/04/60/04/136046004.db2.gz BQOBZTOXCLAMCM-MNOVXSKESA-N 1 0 222.238 2.301 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]2C(F)F)cc1 ZINC000348215362 136046360 /nfs/dbraw/zinc/04/63/60/136046360.db2.gz BQOBZTOXCLAMCM-GHMZBOCLSA-N 1 0 222.238 2.301 20 30 BEEDRO C[C@H](C[NH+](C)C)N[C@H](C)c1ccc(C#N)cc1F ZINC000348286944 136061901 /nfs/dbraw/zinc/06/19/01/136061901.db2.gz HBSIOYUBSCVNDW-GHMZBOCLSA-N 1 0 249.333 2.298 20 30 BEEDRO Cc1cc(C[N@H+]2CC[C@H](O)C[C@@H]2C)ccc1C#N ZINC000335342592 136064847 /nfs/dbraw/zinc/06/48/47/136064847.db2.gz XGXQDJHKNICPDK-WFASDCNBSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CCCC[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348364166 136073097 /nfs/dbraw/zinc/07/30/97/136073097.db2.gz FRHPAAGOZQGXLQ-CYBMUJFWSA-N 1 0 248.374 2.055 20 30 BEEDRO Cn1cc(C[N@H+](C)[C@H]2CC2(C)C)cc1C#N ZINC000335400030 136093639 /nfs/dbraw/zinc/09/36/39/136093639.db2.gz JNUINSVVPYQNPF-LBPRGKRZSA-N 1 0 217.316 2.127 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](CO)C2)C1 ZINC000348680033 136113335 /nfs/dbraw/zinc/11/33/35/136113335.db2.gz JEDVXFOYBBEWJK-MQYQWHSLSA-N 1 0 236.359 2.067 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C1([NH+](C)C)CCCC1 ZINC001646500841 1172740262 /nfs/dbraw/zinc/74/02/62/1172740262.db2.gz RXPQZWSEBFWUTK-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(c2nc(C)no2)C1)C(C)(C)C ZINC001647043255 1172751563 /nfs/dbraw/zinc/75/15/63/1172751563.db2.gz TZVPXYNSRQOLNU-MCIGGMRASA-N 1 0 247.342 2.262 20 30 BEEDRO C=CC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001647752883 1172760686 /nfs/dbraw/zinc/76/06/86/1172760686.db2.gz FSPOLVDLHJHQSQ-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CCC[C@H](C)C1 ZINC000491668041 397849218 /nfs/dbraw/zinc/84/92/18/397849218.db2.gz NSXRICFZVUMATR-RYUDHWBXSA-N 1 0 221.348 2.045 20 30 BEEDRO Cc1cnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)s1 ZINC000309189272 397852567 /nfs/dbraw/zinc/85/25/67/397852567.db2.gz PJNDZYAENSYGCB-NXEZZACHSA-N 1 0 221.329 2.233 20 30 BEEDRO C=CCOCC[NH2+]C1CCC(F)(F)CC1 ZINC000390111581 397879148 /nfs/dbraw/zinc/87/91/48/397879148.db2.gz KUHFPUZPDLIDOJ-UHFFFAOYSA-N 1 0 219.275 2.357 20 30 BEEDRO Cc1ccc(OCCCCNC(=[NH2+])N(C)C)cc1 ZINC000170903954 397825539 /nfs/dbraw/zinc/82/55/39/397825539.db2.gz SODDVNBRXPNWOS-UHFFFAOYSA-N 1 0 249.358 2.030 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1c(C)noc1C ZINC000382398950 397946877 /nfs/dbraw/zinc/94/68/77/397946877.db2.gz PDCFRAFXOTXEHO-VIFPVBQESA-N 1 0 224.304 2.145 20 30 BEEDRO CCc1ncc(CN(C)CC(C)(C)C#N)cn1 ZINC000414452563 397947939 /nfs/dbraw/zinc/94/79/39/397947939.db2.gz NICCVCFXHCZHFI-UHFFFAOYSA-N 1 0 232.331 2.021 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000650163641 397949188 /nfs/dbraw/zinc/94/91/88/397949188.db2.gz PKPAJGZNXXGOHY-OLZOCXBDSA-N 1 0 223.360 2.271 20 30 BEEDRO C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000336794983 397952149 /nfs/dbraw/zinc/95/21/49/397952149.db2.gz HAAONDVLCWRFQG-NHYWBVRUSA-N 1 0 244.338 2.370 20 30 BEEDRO COc1cc(C)ccc1C[NH2+]CCCC#N ZINC000449232295 397952555 /nfs/dbraw/zinc/95/25/55/397952555.db2.gz HQMGGSVHADZKAO-UHFFFAOYSA-N 1 0 218.300 2.397 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CC(C)C ZINC000650178204 397957543 /nfs/dbraw/zinc/95/75/43/397957543.db2.gz GDBMPMMKUIIOCI-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CC[C@@H](C(=O)Nc1cccc(CC#N)c1)[NH+](C)C ZINC000456749600 397994675 /nfs/dbraw/zinc/99/46/75/397994675.db2.gz LAAYAGQZEAJKIH-ZDUSSCGKSA-N 1 0 245.326 2.031 20 30 BEEDRO C#CCSCC[NH2+]CC(C)(C)CCC#N ZINC000164641115 397999838 /nfs/dbraw/zinc/99/98/38/397999838.db2.gz XNYJRTVXDLZYBB-UHFFFAOYSA-N 1 0 224.373 2.272 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375433205 398023554 /nfs/dbraw/zinc/02/35/54/398023554.db2.gz MVTYZHYEIZKVRG-LBPRGKRZSA-N 1 0 245.326 2.150 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccccc1N(C)C ZINC000490854290 398028695 /nfs/dbraw/zinc/02/86/95/398028695.db2.gz ZLNKNECWIVRWDT-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO CC(C)C1([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598617234 398032984 /nfs/dbraw/zinc/03/29/84/398032984.db2.gz HEEOQBILTCBLBF-NSHDSACASA-N 1 0 224.348 2.065 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(OCCOC)c1 ZINC000491228664 398033361 /nfs/dbraw/zinc/03/33/61/398033361.db2.gz BKKHPADXAPEZGD-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc(OCCOC)c1 ZINC000491228666 398033482 /nfs/dbraw/zinc/03/34/82/398033482.db2.gz BKKHPADXAPEZGD-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CCCC[NH+]1CCC(C2(O)CC2)CC1 ZINC000649673244 398033978 /nfs/dbraw/zinc/03/39/78/398033978.db2.gz KQXUPRMALSPGQK-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO COC[C@H](C)[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000599679621 398042156 /nfs/dbraw/zinc/04/21/56/398042156.db2.gz VWBULBDCQMPEOC-LBPRGKRZSA-N 1 0 244.338 2.146 20 30 BEEDRO CO[C@H]1CC[N@H+](CCCC#N)CC1(C)C ZINC000451549320 397974775 /nfs/dbraw/zinc/97/47/75/397974775.db2.gz GQNBYDFMENDFER-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCN(C)Cc1cc(OC(C)C)ccn1 ZINC000649588431 397979450 /nfs/dbraw/zinc/97/94/50/397979450.db2.gz NDBHJCFFNYIVRC-UHFFFAOYSA-N 1 0 220.316 2.487 20 30 BEEDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)O1 ZINC000595080265 397980482 /nfs/dbraw/zinc/98/04/82/397980482.db2.gz PRLPDZNMGVRUHD-MROQNXINSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000649717870 398059339 /nfs/dbraw/zinc/05/93/39/398059339.db2.gz OCTHIURPULBJHV-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@]1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCO1 ZINC000185861785 398060937 /nfs/dbraw/zinc/06/09/37/398060937.db2.gz QHIOLEBROUXPFE-YNEHKIRRSA-N 1 0 222.332 2.227 20 30 BEEDRO CC#CCC[N@H+]1C[C@@H](CC)OC[C@H]1CC ZINC000649718967 398061774 /nfs/dbraw/zinc/06/17/74/398061774.db2.gz JVLDPHDNEQSFJU-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1cccc(C#N)c1 ZINC000159187376 398063229 /nfs/dbraw/zinc/06/32/29/398063229.db2.gz VBQXDXHILOPRBL-WFASDCNBSA-N 1 0 244.338 2.294 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(C)c1F ZINC000384515302 398092554 /nfs/dbraw/zinc/09/25/54/398092554.db2.gz ILIOYKAAQVKEGJ-UHFFFAOYSA-N 1 0 223.291 2.426 20 30 BEEDRO CC[C@H](CC#N)NCc1ccc(C(=O)OC)cc1 ZINC000054182488 398064513 /nfs/dbraw/zinc/06/45/13/398064513.db2.gz YXDHIGYVBIONHZ-CYBMUJFWSA-N 1 0 246.310 2.255 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@](C)(COC)C1 ZINC000649765582 398093276 /nfs/dbraw/zinc/09/32/76/398093276.db2.gz DOJLMXXEBBDHBX-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000186700604 398071592 /nfs/dbraw/zinc/07/15/92/398071592.db2.gz IEVKBVYCXFGRES-JSGCOSHPSA-N 1 0 248.370 2.340 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813099 398071788 /nfs/dbraw/zinc/07/17/88/398071788.db2.gz ZRUQSRQRNFQYEP-STQMWFEESA-N 1 0 235.375 2.165 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCc1ccccc1C ZINC000649734249 398074896 /nfs/dbraw/zinc/07/48/96/398074896.db2.gz BWTHAXWZVXKHJZ-OAHLLOKOSA-N 1 0 233.355 2.406 20 30 BEEDRO Cc1ccc2nc(C[NH2+]CCCC#N)cn2c1 ZINC000284131198 398077243 /nfs/dbraw/zinc/07/72/43/398077243.db2.gz YCBIPKNPLUUXPN-UHFFFAOYSA-N 1 0 228.299 2.036 20 30 BEEDRO Cc1oncc1C[NH+]1CCC(CCC#N)CC1 ZINC000260313825 398079325 /nfs/dbraw/zinc/07/93/25/398079325.db2.gz ZSENICSTXQLPDB-UHFFFAOYSA-N 1 0 233.315 2.499 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CC1=CCCOC1 ZINC000602709688 398079387 /nfs/dbraw/zinc/07/93/87/398079387.db2.gz HYYVKWNISWQZEN-GFCCVEGCSA-N 1 0 222.332 2.205 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000602883813 398081863 /nfs/dbraw/zinc/08/18/63/398081863.db2.gz MPSOMUSBCUPGNH-YNEHKIRRSA-N 1 0 222.332 2.037 20 30 BEEDRO Cc1ccnc(NCC[C@H](C)[NH+](C)C)c1C#N ZINC000596433862 398083401 /nfs/dbraw/zinc/08/34/01/398083401.db2.gz VAAOYVQODFLPBQ-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443983372 398085643 /nfs/dbraw/zinc/08/56/43/398085643.db2.gz CUNWCSOWDZVLTL-JZIMQPMSSA-N 1 0 244.338 2.283 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443983374 398086076 /nfs/dbraw/zinc/08/60/76/398086076.db2.gz CUNWCSOWDZVLTL-NHZBNJEXSA-N 1 0 244.338 2.283 20 30 BEEDRO CC#CC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709545 398054850 /nfs/dbraw/zinc/05/48/50/398054850.db2.gz QGPVRXPHXOTERF-UHFFFAOYSA-N 1 0 235.224 2.376 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000650313301 398102037 /nfs/dbraw/zinc/10/20/37/398102037.db2.gz IGUBXWBVAUCIMW-QKGCVVFFSA-N 1 0 235.371 2.291 20 30 BEEDRO CCN(CC[NH+]1CCC(C)CC1)C[C@H](C)C#N ZINC000152511446 398102879 /nfs/dbraw/zinc/10/28/79/398102879.db2.gz DIWGAXBLSBFTLJ-CQSZACIVSA-N 1 0 237.391 2.200 20 30 BEEDRO CS[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000294910103 398104282 /nfs/dbraw/zinc/10/42/82/398104282.db2.gz ABDVLXPSCNAZMG-NSHDSACASA-N 1 0 222.313 2.089 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773754 398097209 /nfs/dbraw/zinc/09/72/09/398097209.db2.gz FHLDYXLHYIAVBS-JTQLQIEISA-N 1 0 231.286 2.045 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000398107950 322864727 /nfs/dbraw/zinc/86/47/27/322864727.db2.gz LNJDUNCOYIFNCC-MELADBBJSA-N 1 0 240.391 2.088 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)COc1cc(C)ccc1C ZINC000161943207 487528936 /nfs/dbraw/zinc/52/89/36/487528936.db2.gz QEDHLJUHNWSVBX-AWEZNQCLSA-N 1 0 249.354 2.209 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC001649397062 1172872692 /nfs/dbraw/zinc/87/26/92/1172872692.db2.gz CVCWNEAAZJEPQT-MJBXVCDLSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CC[NH2+]CCC ZINC001649452028 1172876095 /nfs/dbraw/zinc/87/60/95/1172876095.db2.gz GIUCPQMCMFVLIV-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO Cc1cc(N[C@H]2CCC[C@@H]2[NH+](C)C)ncc1C#N ZINC001650973306 1172913063 /nfs/dbraw/zinc/91/30/63/1172913063.db2.gz QKFQKFCRMVOKDP-STQMWFEESA-N 1 0 244.342 2.156 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000680381781 487579988 /nfs/dbraw/zinc/57/99/88/487579988.db2.gz LFGLCNFUQYSDNR-JOYOIKCWSA-N 1 0 238.331 2.269 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCC2(CCC2)CC1 ZINC001651273530 1172937454 /nfs/dbraw/zinc/93/74/54/1172937454.db2.gz NOIHVFHTCDCVOU-CQSZACIVSA-N 1 0 235.371 2.463 20 30 BEEDRO CC[NH+]1CCC(Nc2cc(C)c(C#N)cn2)CC1 ZINC001651318938 1172943789 /nfs/dbraw/zinc/94/37/89/1172943789.db2.gz RGLGTDFTIGGKMX-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO C#CC1([NH2+]Cc2cccc3c2OCO3)CCCC1 ZINC001651472062 1172954515 /nfs/dbraw/zinc/95/45/15/1172954515.db2.gz LBSGJXNGWGKPGU-UHFFFAOYSA-N 1 0 243.306 2.451 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]Cc1cscc1Cl ZINC001651500038 1172955979 /nfs/dbraw/zinc/95/59/79/1172955979.db2.gz YYYJFGCDNZYZDQ-SNVBAGLBSA-N 1 0 243.759 2.265 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000279219767 166111753 /nfs/dbraw/zinc/11/17/53/166111753.db2.gz HWAYNTQCLSTTRC-UHFFFAOYSA-N 1 0 245.322 2.317 20 30 BEEDRO CC[C@@H]1C[C@@H](C[N@H+](C)[C@@H](C)CC#N)CCO1 ZINC000356989361 487595502 /nfs/dbraw/zinc/59/55/02/487595502.db2.gz LMYHFBGFACSOIN-RWMBFGLXSA-N 1 0 224.348 2.426 20 30 BEEDRO C#CCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000271833005 166147874 /nfs/dbraw/zinc/14/78/74/166147874.db2.gz URDIZRSDMANINI-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)nc1C ZINC000680471654 487601846 /nfs/dbraw/zinc/60/18/46/487601846.db2.gz LHPZGLYQLCARJT-CHWSQXEVSA-N 1 0 234.343 2.286 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc2c1OCCO2 ZINC000177156151 166127211 /nfs/dbraw/zinc/12/72/11/166127211.db2.gz YQGLVNSHIQDWMR-UHFFFAOYSA-N 1 0 245.322 2.351 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc(O)c(OC)c1 ZINC000271074735 166127710 /nfs/dbraw/zinc/12/77/10/166127710.db2.gz WOEWWRONMUTWDE-UHFFFAOYSA-N 1 0 233.311 2.246 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](C)c1cccnc1 ZINC000271591273 166128085 /nfs/dbraw/zinc/12/80/85/166128085.db2.gz TWKKNLHABXOIBB-GFCCVEGCSA-N 1 0 202.301 2.488 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000270986933 166128949 /nfs/dbraw/zinc/12/89/49/166128949.db2.gz DEGOAOUXWKWPHJ-CYBMUJFWSA-N 1 0 245.322 2.172 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc(C#N)cc1 ZINC000271006099 166129186 /nfs/dbraw/zinc/12/91/86/166129186.db2.gz GZRLSZNNRGHWER-UHFFFAOYSA-N 1 0 212.296 2.403 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cnc(C)s1 ZINC000271050459 166129377 /nfs/dbraw/zinc/12/93/77/166129377.db2.gz PKSYUFWAKIKUCX-UHFFFAOYSA-N 1 0 208.330 2.297 20 30 BEEDRO C#CCCC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000273073332 166132864 /nfs/dbraw/zinc/13/28/64/166132864.db2.gz FVKHRYCPJXPYCE-LBPRGKRZSA-N 1 0 239.265 2.001 20 30 BEEDRO C#CC[NH+](CC#C)CC(C(C)C)C(C)C ZINC001651885418 1173001752 /nfs/dbraw/zinc/00/17/52/1173001752.db2.gz DEHLZFIKEMKMDY-UHFFFAOYSA-N 1 0 205.345 2.483 20 30 BEEDRO C#CCCC[NH2+][C@H](COC)c1ccc(C)o1 ZINC000273474528 166133433 /nfs/dbraw/zinc/13/34/33/166133433.db2.gz GMJLCQSEXKJDGX-GFCCVEGCSA-N 1 0 221.300 2.279 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000193349594 487610465 /nfs/dbraw/zinc/61/04/65/487610465.db2.gz ZRCITKWQXQZTHM-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000655247762 409722245 /nfs/dbraw/zinc/72/22/45/409722245.db2.gz OGSDUDUXTFCAAO-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000609798963 487611030 /nfs/dbraw/zinc/61/10/30/487611030.db2.gz BPKSDUOVUHLXOS-CQSZACIVSA-N 1 0 235.375 2.118 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH2+]C ZINC000662600556 409777411 /nfs/dbraw/zinc/77/74/11/409777411.db2.gz GIGNXZZRRVJJFO-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@]1(C(=O)N(C)c2ccccc2)CCC[NH2+]1 ZINC000662431586 409714702 /nfs/dbraw/zinc/71/47/02/409714702.db2.gz HZMVQOFEIQCNEP-OAHLLOKOSA-N 1 0 244.338 2.348 20 30 BEEDRO C#CC(C)(C)N(C)CC(=C)Br ZINC000279338129 166108390 /nfs/dbraw/zinc/10/83/90/166108390.db2.gz UNBOHVHTHCSUCB-UHFFFAOYSA-N 1 0 216.122 2.239 20 30 BEEDRO C=CCN1CC[C@H]([NH2+][C@H](C)C(C)(C)CC)C1=O ZINC000661231944 410382912 /nfs/dbraw/zinc/38/29/12/410382912.db2.gz SMOCAKYYNNRHDX-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCC(C)(C)O1)[C@@H](C)COC ZINC000661239966 410398728 /nfs/dbraw/zinc/39/87/28/410398728.db2.gz JZDADCRDIZCNKL-STQMWFEESA-N 1 0 241.375 2.467 20 30 BEEDRO C=CC[N@H+](Cc1scnc1C)[C@H](C)COC ZINC000661240013 410399914 /nfs/dbraw/zinc/39/99/14/410399914.db2.gz KGXXBNHBKIVGRY-SNVBAGLBSA-N 1 0 240.372 2.474 20 30 BEEDRO C#CC[N@@H+](CC)Cc1sc(C)nc1C ZINC000267319662 166168733 /nfs/dbraw/zinc/16/87/33/166168733.db2.gz OFTICKLKIAKBDR-UHFFFAOYSA-N 1 0 208.330 2.215 20 30 BEEDRO C#CC[N@@H+](CCC(=O)c1ccc(F)cc1)C1CC1 ZINC000274156076 166170150 /nfs/dbraw/zinc/17/01/50/166170150.db2.gz LQCCTKNWJXUWLB-UHFFFAOYSA-N 1 0 245.297 2.496 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)[C@@H]1CCOC1 ZINC000271246436 166170985 /nfs/dbraw/zinc/17/09/85/166170985.db2.gz CNVWWWKQLPHKLU-CQSZACIVSA-N 1 0 233.286 2.050 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)c(F)c1)C1CC1 ZINC000274163306 166171094 /nfs/dbraw/zinc/17/10/94/166171094.db2.gz MMBBUQPQIHOSEN-UHFFFAOYSA-N 1 0 233.286 2.432 20 30 BEEDRO C#CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000165994392 166192898 /nfs/dbraw/zinc/19/28/98/166192898.db2.gz PTERENCAFYEFRD-DZGCQCFKSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CC(C)C ZINC000020085822 166200589 /nfs/dbraw/zinc/20/05/89/166200589.db2.gz DGUUVFRHMCHICF-UHFFFAOYSA-N 1 0 217.312 2.444 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000166429266 166216804 /nfs/dbraw/zinc/21/68/04/166216804.db2.gz JJHVEUBNLQYDJU-QMMMGPOBSA-N 1 0 209.676 2.157 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccccc1C ZINC000276525438 166256731 /nfs/dbraw/zinc/25/67/31/166256731.db2.gz ZEPBRZMLNUJSPY-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1cccc(C)c1 ZINC000276429826 166256885 /nfs/dbraw/zinc/25/68/85/166256885.db2.gz NHXRYFALGQGANM-UHFFFAOYSA-N 1 0 232.327 2.441 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1 ZINC000276362110 166257075 /nfs/dbraw/zinc/25/70/75/166257075.db2.gz FXAGZBTZCGPBAA-ZDUSSCGKSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1 ZINC000276362105 166257644 /nfs/dbraw/zinc/25/76/44/166257644.db2.gz FXAGZBTZCGPBAA-CYBMUJFWSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000276395171 166258495 /nfs/dbraw/zinc/25/84/95/166258495.db2.gz JUXVRICXXYCSHG-UHFFFAOYSA-N 1 0 233.311 2.466 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000276194901 166258574 /nfs/dbraw/zinc/25/85/74/166258574.db2.gz XQERIFAVADMXBC-UHFFFAOYSA-N 1 0 249.310 2.432 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn2ccccc2n1 ZINC000276521086 166258908 /nfs/dbraw/zinc/25/89/08/166258908.db2.gz YUZHYQADOUKJAS-UHFFFAOYSA-N 1 0 215.300 2.342 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccn(C(C)C)n1 ZINC000276519248 166260122 /nfs/dbraw/zinc/26/01/22/166260122.db2.gz YOSCNDRQHDMCTH-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000270858683 166265592 /nfs/dbraw/zinc/26/55/92/166265592.db2.gz JMLGVHOUZKYMAU-GFCCVEGCSA-N 1 0 246.358 2.438 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000271810284 166266305 /nfs/dbraw/zinc/26/63/05/166266305.db2.gz LWZUKKMMAOWCIK-NSHDSACASA-N 1 0 244.338 2.432 20 30 BEEDRO C=CCC[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000338563412 166267632 /nfs/dbraw/zinc/26/76/32/166267632.db2.gz LVFQYMPLIUQMNX-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000275477250 166295167 /nfs/dbraw/zinc/29/51/67/166295167.db2.gz ICKIFDNVSIUQSS-AGIUHOORSA-N 1 0 249.358 2.194 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](C)O)c1ccco1 ZINC000278981868 166295230 /nfs/dbraw/zinc/29/52/30/166295230.db2.gz PMOCXIWUZHOUJY-WDEREUQCSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccn1C ZINC000178031892 166297134 /nfs/dbraw/zinc/29/71/34/166297134.db2.gz RZVGFMKUWDDQMR-UKRRQHHQSA-N 1 0 248.370 2.489 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](COCC)C1 ZINC000305043433 166298399 /nfs/dbraw/zinc/29/83/99/166298399.db2.gz AFNRCXDPNNBZAU-UONOGXRCSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000336896234 166299319 /nfs/dbraw/zinc/29/93/19/166299319.db2.gz NTGSFIOOJOHUNP-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cnccn1)C1CC1 ZINC000341892218 166301740 /nfs/dbraw/zinc/30/17/40/166301740.db2.gz WKLVTUCRGTYZCJ-AWEZNQCLSA-N 1 0 231.343 2.354 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000154793352 166321225 /nfs/dbraw/zinc/32/12/25/166321225.db2.gz QZZBZZYSGWSTEV-UHFFFAOYSA-N 1 0 242.326 2.194 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000171110231 166322359 /nfs/dbraw/zinc/32/23/59/166322359.db2.gz NGAQRSQPJTYWJZ-UHFFFAOYSA-N 1 0 204.317 2.370 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000171956762 166324900 /nfs/dbraw/zinc/32/49/00/166324900.db2.gz XHJHSMKVBYHECI-SNVBAGLBSA-N 1 0 228.336 2.017 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCCC1(C)C ZINC000170872799 166328741 /nfs/dbraw/zinc/32/87/41/166328741.db2.gz KLNRYUNCIVHDJO-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@@H+](Cc1ccc(OC)cn1)C1CC1 ZINC000271792262 166345701 /nfs/dbraw/zinc/34/57/01/166345701.db2.gz ANNHSZZSHWOONP-UHFFFAOYSA-N 1 0 218.300 2.241 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)c2ccncc2)CC1 ZINC000179387842 166351904 /nfs/dbraw/zinc/35/19/04/166351904.db2.gz ISSKDTMRKCDURY-CYBMUJFWSA-N 1 0 245.370 2.383 20 30 BEEDRO C=CC[NH+]1CCC(Nc2ncccc2C#N)CC1 ZINC000264416960 166353891 /nfs/dbraw/zinc/35/38/91/166353891.db2.gz HOWVSSOECHSAPK-UHFFFAOYSA-N 1 0 242.326 2.016 20 30 BEEDRO 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KPQPIIYDVSJHLB-JHJVBQTASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(C)(C)O)C1 ZINC000651694688 411136590 /nfs/dbraw/zinc/13/65/90/411136590.db2.gz NIDYGKMYRMYOSS-UTUOFQBUSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCc2nc(C)no2)C1 ZINC000651706789 411137118 /nfs/dbraw/zinc/13/71/18/411137118.db2.gz MRSVKZDOTLISKH-NEPJUHHUSA-N 1 0 235.331 2.255 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000651710107 411137786 /nfs/dbraw/zinc/13/77/86/411137786.db2.gz QVBGMBDHQNRHEA-RYUDHWBXSA-N 1 0 209.333 2.357 20 30 BEEDRO C[N@H+](CCCCC#N)CCN1CCCCC1 ZINC000593112210 411138283 /nfs/dbraw/zinc/13/82/83/411138283.db2.gz MSNLFNXROPSWKC-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(CO)CC2)C1 ZINC000651729225 411139248 /nfs/dbraw/zinc/13/92/48/411139248.db2.gz ZRKICCQZKKRBSA-NWDGAFQWSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCN2CCC2)C1 ZINC000651739157 411139875 /nfs/dbraw/zinc/13/98/75/411139875.db2.gz KRDSZDGAUROCAW-OLZOCXBDSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C(=O)NC)C1 ZINC000651740419 411140344 /nfs/dbraw/zinc/14/03/44/411140344.db2.gz ACFXGBYRIBIQGR-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@](C)(CC)CO)C1 ZINC000651749593 411140785 /nfs/dbraw/zinc/14/07/85/411140785.db2.gz BPKMMMSLWVTEAU-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cc2cnccc2o1 ZINC000651747830 411141039 /nfs/dbraw/zinc/14/10/39/411141039.db2.gz QZOYNLBBEXZCTB-NSHDSACASA-N 1 0 246.310 2.102 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CC(=O)N(C3CC3)C2)C1 ZINC000651753290 411141113 /nfs/dbraw/zinc/14/11/13/411141113.db2.gz MIGJWCRSFLIYEM-UPJWGTAASA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc2c1CCC2 ZINC000651747886 411141297 /nfs/dbraw/zinc/14/12/97/411141297.db2.gz SVNNKHGJGHMCKD-CYBMUJFWSA-N 1 0 245.366 2.450 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@]2(OC)CCOC2)C1 ZINC000651763331 411142312 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/nfs/dbraw/zinc/19/96/29/411199629.db2.gz OQPXTUMHQLNBHA-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCOCC[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000653874011 411204118 /nfs/dbraw/zinc/20/41/18/411204118.db2.gz ZKJXACHUKPVRIG-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000653877704 411206464 /nfs/dbraw/zinc/20/64/64/411206464.db2.gz RUHJIUFQUFRNQL-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](COC)CC1CCOCC1 ZINC000658031752 411207259 /nfs/dbraw/zinc/20/72/59/411207259.db2.gz HVQNOVMAKGWYQZ-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC1(C[NH2+][C@@H](C)Cn2cncn2)CCCC1 ZINC000658030011 411207296 /nfs/dbraw/zinc/20/72/96/411207296.db2.gz VEWSXTJGJMQMTA-ZDUSSCGKSA-N 1 0 248.374 2.393 20 30 BEEDRO C[C@H](c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000049831492 411245895 /nfs/dbraw/zinc/24/58/95/411245895.db2.gz XZZRPZLYVZDPNM-CQSZACIVSA-N 1 0 243.354 2.279 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CC=C(C)CC1 ZINC000556833782 322928247 /nfs/dbraw/zinc/92/82/47/322928247.db2.gz BCECXDMJYAKVEK-QWHCGFSZSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@](C)(CO)OC ZINC000658049016 411218276 /nfs/dbraw/zinc/21/82/76/411218276.db2.gz ZXNNNBVFJITQOJ-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO CC#CC[N@@H+]1C[C@@H](C)OC2(CCCCC2)C1 ZINC000653903264 411219550 /nfs/dbraw/zinc/21/95/50/411219550.db2.gz CEVKABZGRWFVBW-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cn1cncn1 ZINC000658060660 411226602 /nfs/dbraw/zinc/22/66/02/411226602.db2.gz OPXWARQDNAFMKY-MJBXVCDLSA-N 1 0 248.374 2.391 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000658070873 411232016 /nfs/dbraw/zinc/23/20/16/411232016.db2.gz AGFINIWEBWGADM-HZSPNIEDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000658070944 411232038 /nfs/dbraw/zinc/23/20/38/411232038.db2.gz BEPQHJMHAFTYNE-XUXIUFHCSA-N 1 0 241.375 2.228 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000310297829 411232714 /nfs/dbraw/zinc/23/27/14/411232714.db2.gz MPGOBXPXVKENMJ-LBPRGKRZSA-N 1 0 235.327 2.115 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](COC)OC ZINC000658084841 411234779 /nfs/dbraw/zinc/23/47/79/411234779.db2.gz PJFIHYOKSXSPPA-AVGNSLFASA-N 1 0 229.364 2.228 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](COC)OC ZINC000658084842 411234939 /nfs/dbraw/zinc/23/49/39/411234939.db2.gz PJFIHYOKSXSPPA-RWMBFGLXSA-N 1 0 229.364 2.228 20 30 BEEDRO C=CCSCCN[C@H](CC)[C@@H]1CCC[NH2+]1 ZINC000422941068 411235283 /nfs/dbraw/zinc/23/52/83/411235283.db2.gz HMXVPWLGKZUEBW-NEPJUHHUSA-N 1 0 228.405 2.026 20 30 BEEDRO C=CCNC(=O)C[N@H+](C1CC1)C1CCCCC1 ZINC000047904463 411167720 /nfs/dbraw/zinc/16/77/20/411167720.db2.gz XNVNQXPZELGCGU-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CC[C@H]2CCOC2)C1 ZINC000615136943 411275992 /nfs/dbraw/zinc/27/59/92/411275992.db2.gz LQYUJCJWZIUGNC-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000656453341 411276195 /nfs/dbraw/zinc/27/61/95/411276195.db2.gz WHNRRMHFALQQCZ-AWEZNQCLSA-N 1 0 242.326 2.097 20 30 BEEDRO N#CCC[C@H](C#N)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553204 411278189 /nfs/dbraw/zinc/27/81/89/411278189.db2.gz UTBWWDXSLKOZIY-UPJWGTAASA-N 1 0 249.383 2.400 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000658205036 411291748 /nfs/dbraw/zinc/29/17/48/411291748.db2.gz DOUPNVPJFGIELW-NWDGAFQWSA-N 1 0 235.331 2.071 20 30 BEEDRO N#CC1(c2ccccc2)CC([NH2+]C2CC2)C1 ZINC000082999630 411294065 /nfs/dbraw/zinc/29/40/65/411294065.db2.gz RRLIIKQVDHMOSV-UHFFFAOYSA-N 1 0 212.296 2.362 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000658210538 411295145 /nfs/dbraw/zinc/29/51/45/411295145.db2.gz UCUSSNNGVAIQBV-NSHDSACASA-N 1 0 249.358 2.337 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000658210537 411295225 /nfs/dbraw/zinc/29/52/25/411295225.db2.gz UCUSSNNGVAIQBV-LLVKDONJSA-N 1 0 249.358 2.337 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1cncc(C)n1 ZINC000658262001 411318274 /nfs/dbraw/zinc/31/82/74/411318274.db2.gz NXCPOOVJRBIZDI-LLVKDONJSA-N 1 0 219.332 2.272 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655771787 411254924 /nfs/dbraw/zinc/25/49/24/411254924.db2.gz FTCBVAZBRHYYRI-KKOKHZNYSA-N 1 0 227.373 2.204 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654065128 411326697 /nfs/dbraw/zinc/32/66/97/411326697.db2.gz DYNHQNYZFVAXDH-UPJWGTAASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cncnc1C ZINC000655774580 411257714 /nfs/dbraw/zinc/25/77/14/411257714.db2.gz XRLYFZLPACJZIQ-JTQLQIEISA-N 1 0 205.305 2.402 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)C[NH2+]C ZINC000659328439 411357479 /nfs/dbraw/zinc/35/74/79/411357479.db2.gz FYHBUOJXVXTQBZ-JHJVBQTASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000659328472 411357733 /nfs/dbraw/zinc/35/77/33/411357733.db2.gz GRQSHPLKPZWFRN-XQHKEYJVSA-N 1 0 238.375 2.221 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628994 411360942 /nfs/dbraw/zinc/36/09/42/411360942.db2.gz YEIIBMUGSUCHPB-UKRRQHHQSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662120662 411363040 /nfs/dbraw/zinc/36/30/40/411363040.db2.gz PDONGCAONAZUPK-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)nc2ccccc12 ZINC000662165869 411370709 /nfs/dbraw/zinc/37/07/09/411370709.db2.gz SOKCOIZPGYTWQA-CYBMUJFWSA-N 1 0 242.322 2.180 20 30 BEEDRO C=CCOCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000656710238 411336059 /nfs/dbraw/zinc/33/60/59/411336059.db2.gz VRHQFOPIMUXEQM-AWEZNQCLSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000656704463 411339224 /nfs/dbraw/zinc/33/92/24/411339224.db2.gz IZMGQAXZUZVSAR-TZMCWYRMSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](C)C1CCCCC1 ZINC000662168537 411372307 /nfs/dbraw/zinc/37/23/07/411372307.db2.gz KHEMHMHTBDJBIZ-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CCC(C2CCC2)CC1 ZINC000658334022 411342294 /nfs/dbraw/zinc/34/22/94/411342294.db2.gz AUJRWWFDVMZZQD-ROKHWSDSSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCc1ccccc1Cl ZINC000662168497 411372412 /nfs/dbraw/zinc/37/24/12/411372412.db2.gz IXHMKQJAEBLXLE-GFCCVEGCSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](CC)CC1 ZINC000658334874 411343356 /nfs/dbraw/zinc/34/33/56/411343356.db2.gz WIVYTMRWCDCEHN-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO CC1(C[NH2+]C2(c3cccc(C#N)c3)CC2)COC1 ZINC000341944538 168040254 /nfs/dbraw/zinc/04/02/54/168040254.db2.gz FRVILYDWFZDXEY-UHFFFAOYSA-N 1 0 242.322 2.173 20 30 BEEDRO CC1(O)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000178486470 168066929 /nfs/dbraw/zinc/06/69/29/168066929.db2.gz MMWUCGBJRRLRKA-UHFFFAOYSA-N 1 0 247.313 2.024 20 30 BEEDRO C=CCCC[N@@H+](C)CCc1nc(C(C)=O)c(C)[nH]1 ZINC000659940847 411388459 /nfs/dbraw/zinc/38/84/59/411388459.db2.gz IDOYOBVGINJEMV-UHFFFAOYSA-N 1 0 249.358 2.361 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000659375967 411406826 /nfs/dbraw/zinc/40/68/26/411406826.db2.gz INVREYHUQPGKDB-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CCC[C@@H]2C2CC2)nn1 ZINC000653541986 411419314 /nfs/dbraw/zinc/41/93/14/411419314.db2.gz BRYRNMQNJCFEOL-CQSZACIVSA-N 1 0 246.358 2.229 20 30 BEEDRO C=CCCn1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)nn1 ZINC000653568752 411424676 /nfs/dbraw/zinc/42/46/76/411424676.db2.gz IPRMSVCDIRWZJV-RYUDHWBXSA-N 1 0 234.347 2.227 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590467 411425673 /nfs/dbraw/zinc/42/56/73/411425673.db2.gz CLYHZMBMISUEEO-STQMWFEESA-N 1 0 231.343 2.011 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NCC[NH2+]CCC ZINC000659526337 411428905 /nfs/dbraw/zinc/42/89/05/411428905.db2.gz NSUZSGGDCJGOCK-UHFFFAOYSA-N 1 0 241.379 2.030 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)nn1 ZINC000653595106 411430727 /nfs/dbraw/zinc/43/07/27/411430727.db2.gz VTOKQHBVGXPIEJ-CHWSQXEVSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H](C)[C@@H](C)CC)nn1 ZINC000653605430 411432007 /nfs/dbraw/zinc/43/20/07/411432007.db2.gz WRWLRKADSKXDMN-NWDGAFQWSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CCCC(C)(C)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000659515266 411469157 /nfs/dbraw/zinc/46/91/57/411469157.db2.gz BKTDPSGDRFDKRP-NSHDSACASA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(C)CNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000655009141 411475682 /nfs/dbraw/zinc/47/56/82/411475682.db2.gz GRIOSRZQYFVELQ-UHFFFAOYSA-N 1 0 246.354 2.097 20 30 BEEDRO C=CCOCCNc1cc[nH+]c(CC)c1 ZINC000307774935 411486128 /nfs/dbraw/zinc/48/61/28/411486128.db2.gz RLTSNFPWURPKPB-UHFFFAOYSA-N 1 0 206.289 2.259 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CCC)C1CCC1 ZINC000657378810 411486940 /nfs/dbraw/zinc/48/69/40/411486940.db2.gz SLKSKYPSHTVYER-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1nccn1C(C)C ZINC000657399656 411494587 /nfs/dbraw/zinc/49/45/87/411494587.db2.gz SMXCGNWVAKVTPU-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659914779 411496973 /nfs/dbraw/zinc/49/69/73/411496973.db2.gz CMQPULQGJIJPSK-GFCCVEGCSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[N@H+](CCc1c[nH]nn1)CC1CCCCC1 ZINC000659918871 411498012 /nfs/dbraw/zinc/49/80/12/411498012.db2.gz AGWUVHRTXYGHAU-UHFFFAOYSA-N 1 0 248.374 2.416 20 30 BEEDRO C=CCCC[NH2+]Cc1ccnn1CC1CC1 ZINC000657456092 411516091 /nfs/dbraw/zinc/51/60/91/411516091.db2.gz VXOUWNPTCFGCOK-UHFFFAOYSA-N 1 0 219.332 2.349 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCC[C@@H]2C)nn1 ZINC000657456782 411517251 /nfs/dbraw/zinc/51/72/51/411517251.db2.gz XBXHYIQTMSZWHJ-QWHCGFSZSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC(C)(C)C=C)nn1 ZINC000657480952 411526942 /nfs/dbraw/zinc/52/69/42/411526942.db2.gz BVPRBZWGWNJSCD-UHFFFAOYSA-N 1 0 234.347 2.156 20 30 BEEDRO C=CCCCCC[NH2+]Cc1c(C)nnn1CC ZINC000655825501 411527436 /nfs/dbraw/zinc/52/74/36/411527436.db2.gz FRPUBEPKSVXJME-UHFFFAOYSA-N 1 0 236.363 2.442 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657479404 411528136 /nfs/dbraw/zinc/52/81/36/411528136.db2.gz JRHUFGBDVWBROF-UHFFFAOYSA-N 1 0 220.320 2.059 20 30 BEEDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C#N)cc2)C1 ZINC000328335769 170013600 /nfs/dbraw/zinc/01/36/00/170013600.db2.gz JBWPLKKOTYWYJT-IUODEOHRSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCC[NH2+]Cc1ccccc1N(C)C ZINC000657582984 411554354 /nfs/dbraw/zinc/55/43/54/411554354.db2.gz QREFQTAMEXFUAG-UHFFFAOYSA-N 1 0 204.317 2.418 20 30 BEEDRO C=CCC[NH2+]Cc1cn2cccc(F)c2n1 ZINC000657582839 411554459 /nfs/dbraw/zinc/55/44/59/411554459.db2.gz IZPLVVLLBXKCET-UHFFFAOYSA-N 1 0 219.263 2.139 20 30 BEEDRO C=CCC[NH2+]Cc1cnc(C2CC2)nc1 ZINC000657583204 411554607 /nfs/dbraw/zinc/55/46/07/411554607.db2.gz GQSIDHJJAKOFQV-UHFFFAOYSA-N 1 0 203.289 2.020 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](COC)OC)C1 ZINC000657554680 411549033 /nfs/dbraw/zinc/54/90/33/411549033.db2.gz PTIKTLDMXMVQMT-MCIONIFRSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCCn1cc(C[NH2+]CC[C@H](C)CC)nn1 ZINC000657585411 411557546 /nfs/dbraw/zinc/55/75/46/411557546.db2.gz ADICHQQLWDPRNP-GFCCVEGCSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000657658237 411571856 /nfs/dbraw/zinc/57/18/56/411571856.db2.gz PZFSYMSWABRFIB-KBPBESRZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(COC)o1 ZINC000657658083 411571999 /nfs/dbraw/zinc/57/19/99/411571999.db2.gz LOSCPKYLKGRXCW-UHFFFAOYSA-N 1 0 239.315 2.108 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000657658240 411572030 /nfs/dbraw/zinc/57/20/30/411572030.db2.gz PZFSYMSWABRFIB-UONOGXRCSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000657659015 411572296 /nfs/dbraw/zinc/57/22/96/411572296.db2.gz NWFXFDOXRQMRRY-ITGUQSILSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccnc1C ZINC000657658373 411572371 /nfs/dbraw/zinc/57/23/71/411572371.db2.gz UYTXVISIXDYPLY-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000657658990 411572515 /nfs/dbraw/zinc/57/25/15/411572515.db2.gz MYQSQEXHAUFJIR-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccoc1C ZINC000657659018 411572551 /nfs/dbraw/zinc/57/25/51/411572551.db2.gz NYDGVWCMEGYNQP-UHFFFAOYSA-N 1 0 209.289 2.270 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000657658988 411572568 /nfs/dbraw/zinc/57/25/68/411572568.db2.gz MYQSQEXHAUFJIR-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000657659327 411572734 /nfs/dbraw/zinc/57/27/34/411572734.db2.gz WEESCMMIJNFAOT-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000657659263 411572772 /nfs/dbraw/zinc/57/27/72/411572772.db2.gz UPUIEEGTLFSFNC-NWDGAFQWSA-N 1 0 229.389 2.453 20 30 BEEDRO CCOCC(C)(C)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336757118 170352176 /nfs/dbraw/zinc/35/21/76/170352176.db2.gz HNDBWIUSGMKHBL-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233721640 170380675 /nfs/dbraw/zinc/38/06/75/170380675.db2.gz OMDIRDGZVRZQDJ-UHFFFAOYSA-N 1 0 248.326 2.083 20 30 BEEDRO C=CCNC(=O)C[NH2+]Cc1cccc(C(C)C)c1 ZINC000663325203 411624846 /nfs/dbraw/zinc/62/48/46/411624846.db2.gz WERXXVCKMJKLNK-UHFFFAOYSA-N 1 0 246.354 2.202 20 30 BEEDRO C=CCC1([NH2+]Cc2ccnc(OC)n2)CCCC1 ZINC000657701921 411583004 /nfs/dbraw/zinc/58/30/04/411583004.db2.gz FHXQDCZKLUYWPS-UHFFFAOYSA-N 1 0 247.342 2.464 20 30 BEEDRO C=CCC1([NH2+]Cc2ccn(C)n2)CCCC1 ZINC000657701842 411583137 /nfs/dbraw/zinc/58/31/37/411583137.db2.gz CHQXWYSLZCTXQK-UHFFFAOYSA-N 1 0 219.332 2.399 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](C)CCC=C(C)C)C1=O ZINC000660463605 411589545 /nfs/dbraw/zinc/58/95/45/411589545.db2.gz FWSLFCSKIIUBKC-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCC ZINC000657824273 411607652 /nfs/dbraw/zinc/60/76/52/411607652.db2.gz FNUHGJJAJUXZQH-YNEHKIRRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCNC(C)=O ZINC000657827969 411608240 /nfs/dbraw/zinc/60/82/40/411608240.db2.gz QIVVZXLIIRPXLN-KGLIPLIRSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1cn[nH]n1 ZINC000661115045 411713118 /nfs/dbraw/zinc/71/31/18/411713118.db2.gz ORBSCDLJLKGMIZ-AAEUAGOBSA-N 1 0 234.347 2.072 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660928395 411679022 /nfs/dbraw/zinc/67/90/22/411679022.db2.gz MRFNYOZAFYSELJ-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661089989 411703246 /nfs/dbraw/zinc/70/32/46/411703246.db2.gz BEFMYXUXENZAJS-AWEZNQCLSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CC[N@H+](Cc1ccc(C)nc1)[C@@H](C)COC ZINC000661241205 411741013 /nfs/dbraw/zinc/74/10/13/411741013.db2.gz YCIAIOXBTLDBOS-ZDUSSCGKSA-N 1 0 234.343 2.413 20 30 BEEDRO C=CC[N@@H+](CCC1CCOCC1)[C@@H](C)COC ZINC000661239759 411741215 /nfs/dbraw/zinc/74/12/15/411741215.db2.gz IZBNPUNOOAYANJ-ZDUSSCGKSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)CC)[C@H](C)COC ZINC000661241527 411741381 /nfs/dbraw/zinc/74/13/81/411741381.db2.gz ZWHHEZDAWNVQGC-GFCCVEGCSA-N 1 0 227.348 2.269 20 30 BEEDRO C=CC[N@H+](CC1CCC(=O)CC1)[C@@H](C)COC ZINC000661240121 411741471 /nfs/dbraw/zinc/74/14/71/411741471.db2.gz LWZYAOJNKVKBLF-LBPRGKRZSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CC[N@H+](Cc1cccnc1)[C@H](C)COC ZINC000661243851 411742446 /nfs/dbraw/zinc/74/24/46/411742446.db2.gz OOLFWUWRHPCFIC-GFCCVEGCSA-N 1 0 220.316 2.105 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H](O)COC(C)C)C1 ZINC000661378881 411752440 /nfs/dbraw/zinc/75/24/40/411752440.db2.gz NSAKUZLZRSEDEK-ZIAGYGMSSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393340 411754067 /nfs/dbraw/zinc/75/40/67/411754067.db2.gz PSAKVVHMKSXTGB-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000661378873 411760405 /nfs/dbraw/zinc/76/04/05/411760405.db2.gz NRKCPDYVXPKXDG-LBPRGKRZSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NCCCC)C1 ZINC000661376408 411760420 /nfs/dbraw/zinc/76/04/20/411760420.db2.gz BREODNGNHRJRQJ-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)NC(C)C)C1 ZINC000661379011 411760591 /nfs/dbraw/zinc/76/05/91/411760591.db2.gz QLRLMGXUCDGDPR-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)C1 ZINC000661378862 411761199 /nfs/dbraw/zinc/76/11/99/411761199.db2.gz NJMNVCKRRPEHKT-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCn2cc(C)cn2)C1 ZINC000661380002 411762090 /nfs/dbraw/zinc/76/20/90/411762090.db2.gz KMYPQNPDBQMSBJ-AWEZNQCLSA-N 1 0 233.359 2.480 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)N(C)CC)C1 ZINC000661381072 411762933 /nfs/dbraw/zinc/76/29/33/411762933.db2.gz UTFJCMMWMLLWHG-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCC(C)(C)O)C1 ZINC000661381100 411762951 /nfs/dbraw/zinc/76/29/51/411762951.db2.gz VLSRKCPYZVLDDK-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCC[C@H](C)O)C1 ZINC000661384947 411765698 /nfs/dbraw/zinc/76/56/98/411765698.db2.gz MIWNNWVWBHBYJM-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661446243 411778176 /nfs/dbraw/zinc/77/81/76/411778176.db2.gz RFNMHWLCDWWZES-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661489481 411787872 /nfs/dbraw/zinc/78/78/72/411787872.db2.gz FBROULZEJCNKRL-BETUJISGSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661630156 411824396 /nfs/dbraw/zinc/82/43/96/411824396.db2.gz UBVUXKPWILKVJC-CYBMUJFWSA-N 1 0 209.333 2.190 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000661652755 411827681 /nfs/dbraw/zinc/82/76/81/411827681.db2.gz BWYNKCBGJYEPBM-LBPRGKRZSA-N 1 0 207.317 2.067 20 30 BEEDRO CC[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000309093960 170751944 /nfs/dbraw/zinc/75/19/44/170751944.db2.gz DFZYTSAKLQHPPZ-LLVKDONJSA-N 1 0 202.301 2.489 20 30 BEEDRO C=CCC1([NH2+]CCn2cccn2)CCCC1 ZINC000661848151 411901523 /nfs/dbraw/zinc/90/15/23/411901523.db2.gz IIDDFGSJUNXZQM-UHFFFAOYSA-N 1 0 219.332 2.362 20 30 BEEDRO C=CCOCC[N@H+]1CC2(CCCC2)OC[C@@H]1C ZINC000661978582 411934271 /nfs/dbraw/zinc/93/42/71/411934271.db2.gz MSVVHTPHAQSXMA-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCN1CC[C@H]([N@@H+](CC=C)C(C)(C)C)C1=O ZINC000661759994 411872118 /nfs/dbraw/zinc/87/21/18/411872118.db2.gz NTMMIAVGVBDZNN-LBPRGKRZSA-N 1 0 236.359 2.060 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661776452 411883462 /nfs/dbraw/zinc/88/34/62/411883462.db2.gz ZTTTWFZSKYOBKH-ZIAGYGMSSA-N 1 0 233.359 2.297 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C(C)C ZINC000662090414 411974217 /nfs/dbraw/zinc/97/42/17/411974217.db2.gz OTMBCTLWCUGOIZ-XQQFMLRXSA-N 1 0 209.333 2.186 20 30 BEEDRO C[C@@]1(C#N)CCN(CCC(=O)c2ccccc2)C1 ZINC000662079993 411979438 /nfs/dbraw/zinc/97/94/38/411979438.db2.gz FLUPHPHODCDCGD-HNNXBMFYSA-N 1 0 242.322 2.495 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccn(C)c(=O)c1 ZINC000662080661 411979793 /nfs/dbraw/zinc/97/97/93/411979793.db2.gz PRYVBAWALUKERW-OKILXGFUSA-N 1 0 244.338 2.068 20 30 BEEDRO C[C@]1(C#N)CCN(CCC(=O)c2ccccc2)C1 ZINC000662079994 411980009 /nfs/dbraw/zinc/98/00/09/411980009.db2.gz FLUPHPHODCDCGD-OAHLLOKOSA-N 1 0 242.322 2.495 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(C)n1 ZINC000662089815 411983058 /nfs/dbraw/zinc/98/30/58/411983058.db2.gz GBXVDVRNSRPIGA-OKILXGFUSA-N 1 0 229.327 2.468 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cc1ncnn1CCC ZINC000662090353 411984443 /nfs/dbraw/zinc/98/44/43/411984443.db2.gz NVGMGYUBQKKEJF-BETUJISGSA-N 1 0 246.358 2.371 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000662116197 411989825 /nfs/dbraw/zinc/98/98/25/411989825.db2.gz VPJGUYAMLSKAKP-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](C(=O)NC(C)C)C1 ZINC000662119404 411991144 /nfs/dbraw/zinc/99/11/44/411991144.db2.gz VPJGUYAMLSKAKP-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000232314957 170901464 /nfs/dbraw/zinc/90/14/64/170901464.db2.gz FCBUSCRAYONRCQ-CYBMUJFWSA-N 1 0 219.332 2.421 20 30 BEEDRO C=C[C@H](CO)NCc1cccc(F)c1Cl ZINC000662168614 412015982 /nfs/dbraw/zinc/01/59/82/412015982.db2.gz NEEKJMOJOQGSSJ-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cnc2ccc(C)cc2c1 ZINC000662168846 412017753 /nfs/dbraw/zinc/01/77/53/412017753.db2.gz XOPWHSMJSPPZCG-CQSZACIVSA-N 1 0 242.322 2.180 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662041434 411958319 /nfs/dbraw/zinc/95/83/19/411958319.db2.gz AGBDGUFTNUEBMP-ZIAGYGMSSA-N 1 0 223.360 2.436 20 30 BEEDRO CC[C@@](C)(CCO)[NH2+]Cc1cccc(C#N)c1 ZINC000134465578 171165275 /nfs/dbraw/zinc/16/52/75/171165275.db2.gz KLCIYTGSLBNWAE-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO CC[C@H](C)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341986796 171279636 /nfs/dbraw/zinc/27/96/36/171279636.db2.gz FRYQDHQTTCHEKS-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CC[C@H](C)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000295358052 171319662 /nfs/dbraw/zinc/31/96/62/171319662.db2.gz ZFZBMNQUTZJORN-LBPRGKRZSA-N 1 0 247.342 2.067 20 30 BEEDRO C=CCCC[N@@H+]1CCO[C@](C)(C(F)F)C1 ZINC000662370698 412128113 /nfs/dbraw/zinc/12/81/13/412128113.db2.gz HBRPUAHSOSTBOZ-NSHDSACASA-N 1 0 219.275 2.309 20 30 BEEDRO C=CC[C@H](C)NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662466194 412184885 /nfs/dbraw/zinc/18/48/85/412184885.db2.gz UYNFKZDYPDKEBX-FZMZJTMJSA-N 1 0 244.338 2.302 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@H](CC)[NH2+]C ZINC000662431199 412168155 /nfs/dbraw/zinc/16/81/55/412168155.db2.gz APNMVPJYISJDEU-AWEZNQCLSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cnccc2C)CCC[NH2+]1 ZINC000662688079 412272093 /nfs/dbraw/zinc/27/20/93/412272093.db2.gz MCXPOPJWNKXOFR-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@@]1(C(=O)N2CCC(C=C)CC2)CCC[NH2+]1 ZINC000662595360 412233940 /nfs/dbraw/zinc/23/39/40/412233940.db2.gz WLIAOBDAPQBVTQ-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)CC[C@@H](C)[NH3+] ZINC000662603656 412236494 /nfs/dbraw/zinc/23/64/94/412236494.db2.gz YTONDHXZNSGVFT-JHJVBQTASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccsc2)CCC[NH2+]1 ZINC000662607603 412238816 /nfs/dbraw/zinc/23/88/16/412238816.db2.gz PTQVVGUATMEOBY-LBPRGKRZSA-N 1 0 236.340 2.385 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@H](C)[NH2+]CCC)C1 ZINC000662636994 412252903 /nfs/dbraw/zinc/25/29/03/412252903.db2.gz UEPQULQKMYVMCZ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@@](C)([NH3+])CCC)C1 ZINC000662637865 412252907 /nfs/dbraw/zinc/25/29/07/412252907.db2.gz ZLLXFVNQMJJAME-JSGCOSHPSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC1(NC(=O)CC(C)(C)[NH3+])CCCC1 ZINC000662888179 412335620 /nfs/dbraw/zinc/33/56/20/412335620.db2.gz GVXGPJKHAJMKRA-UHFFFAOYSA-N 1 0 224.348 2.119 20 30 BEEDRO C=CCC1(NC(=O)[C@H](C)[NH2+]CCC)CCCC1 ZINC000662889108 412336183 /nfs/dbraw/zinc/33/61/83/412336183.db2.gz SCUFALSSVRDGBF-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCC(C)(C)NC(=O)CC[NH2+]C(C)C ZINC000662953061 412352632 /nfs/dbraw/zinc/35/26/32/412352632.db2.gz INFUGPDNROEKBI-UHFFFAOYSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2cccc(O)c2)CCC[NH2+]1 ZINC000662767837 412295554 /nfs/dbraw/zinc/29/55/54/412295554.db2.gz XRRMXDBILPKAFN-CQSZACIVSA-N 1 0 246.310 2.029 20 30 BEEDRO CCn1cc(C[NH2+]Cc2cccc(C#N)c2)cn1 ZINC000050539565 172172004 /nfs/dbraw/zinc/17/20/04/172172004.db2.gz GQWIAABPTSGIQN-UHFFFAOYSA-N 1 0 240.310 2.064 20 30 BEEDRO CCn1nc(C)c(C[NH2+]CCCCC#N)c1C ZINC000237179569 172245392 /nfs/dbraw/zinc/24/53/92/172245392.db2.gz CNNQWEBDNNSJAK-UHFFFAOYSA-N 1 0 234.347 2.303 20 30 BEEDRO C[NH+](C)C(C)(C)CNc1c(C#N)cccc1C#N ZINC000302820371 172396680 /nfs/dbraw/zinc/39/66/80/172396680.db2.gz CYBTZBRZGKXNJQ-UHFFFAOYSA-N 1 0 242.326 2.182 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000267307187 172526506 /nfs/dbraw/zinc/52/65/06/172526506.db2.gz WGTJWIKKWQHTSS-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO CN(CC1CC[NH+](C)CC1)c1ccc(C#N)cc1 ZINC000063124771 172985039 /nfs/dbraw/zinc/98/50/39/172985039.db2.gz VPBPICHZRNTKCK-UHFFFAOYSA-N 1 0 243.354 2.336 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1CC2(C1)CCOCC2 ZINC001172507942 974863650 /nfs/dbraw/zinc/86/36/50/974863650.db2.gz ZFWUVTPTSOYZLW-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001652324802 1173057612 /nfs/dbraw/zinc/05/76/12/1173057612.db2.gz URZVRTBGKRNICN-ZDEQEGDKSA-N 1 0 209.333 2.092 20 30 BEEDRO C[NH2+]CCNc1ccc(C(F)(F)F)cc1C#N ZINC000054244785 173357018 /nfs/dbraw/zinc/35/70/18/173357018.db2.gz QYYDCFCQKGYYKF-UHFFFAOYSA-N 1 0 243.232 2.208 20 30 BEEDRO C[NH2+]C[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000071147866 173370612 /nfs/dbraw/zinc/37/06/12/173370612.db2.gz DSAKDXCYJGFZHG-JTQLQIEISA-N 1 0 249.745 2.257 20 30 BEEDRO COC1CC[NH+](Cc2ccc(F)c(C#N)c2)CC1 ZINC000229748019 174030721 /nfs/dbraw/zinc/03/07/21/174030721.db2.gz ZWZBRCHMFFGSAV-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO COCCC1(C)CN(Cc2ccc(C#N)o2)C1 ZINC000297392232 174153023 /nfs/dbraw/zinc/15/30/23/174153023.db2.gz KPRYMTSMHLQZIG-UHFFFAOYSA-N 1 0 234.299 2.010 20 30 BEEDRO COCCC1(C[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000151967112 174155668 /nfs/dbraw/zinc/15/56/68/174155668.db2.gz QDGJFHMAZQWRDQ-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO COCCCC[NH2+]Cc1ccc(C#N)s1 ZINC000135496758 174200242 /nfs/dbraw/zinc/20/02/42/174200242.db2.gz JQTSOLFZECRHHK-UHFFFAOYSA-N 1 0 224.329 2.136 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(C#N)s1 ZINC000120454309 174217453 /nfs/dbraw/zinc/21/74/53/174217453.db2.gz XKAVIKHAGZLILX-UHFFFAOYSA-N 1 0 224.329 2.088 20 30 BEEDRO COCCC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353410086 174251686 /nfs/dbraw/zinc/25/16/86/174251686.db2.gz GJQUUPXPIUIVKH-AWEZNQCLSA-N 1 0 230.311 2.172 20 30 BEEDRO COCC[C@@H](C)[NH2+]CCc1cccc(C#N)c1 ZINC000355671861 174383286 /nfs/dbraw/zinc/38/32/86/174383286.db2.gz LPGOWYXKEFTYNB-GFCCVEGCSA-N 1 0 232.327 2.115 20 30 BEEDRO COC[C@H](C)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000045656273 174533939 /nfs/dbraw/zinc/53/39/39/174533939.db2.gz VYUNUFOFOCCOSI-VXGBXAGGSA-N 1 0 232.327 2.491 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019904555 174550027 /nfs/dbraw/zinc/55/00/27/174550027.db2.gz ASUFDTFQJNPRKP-QWRGUYRKSA-N 1 0 218.300 2.244 20 30 BEEDRO COc1cc([C@@H](C)[NH2+]CCCCC#N)ccn1 ZINC000340474625 175014279 /nfs/dbraw/zinc/01/42/79/175014279.db2.gz KVZMHECGJDLKJC-LLVKDONJSA-N 1 0 233.315 2.435 20 30 BEEDRO COc1ccc(C[N@H+](C)C2CC2)cc1C#N ZINC000087833131 175094676 /nfs/dbraw/zinc/09/46/76/175094676.db2.gz FPJGAWQITJJDCQ-UHFFFAOYSA-N 1 0 216.284 2.161 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C2)cc1C#N ZINC000087833201 175101105 /nfs/dbraw/zinc/10/11/05/175101105.db2.gz RAVDPXYTGPCOCN-LLVKDONJSA-N 1 0 230.311 2.409 20 30 BEEDRO COc1ccc(C[NH2+]C(C)C)cc1C#N ZINC000083729904 175105419 /nfs/dbraw/zinc/10/54/19/175105419.db2.gz VXDDWOVNHJBPIS-UHFFFAOYSA-N 1 0 204.273 2.065 20 30 BEEDRO COc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000042222184 175106943 /nfs/dbraw/zinc/10/69/43/175106943.db2.gz NVUVXTGZJLHWMJ-UHFFFAOYSA-N 1 0 218.300 2.479 20 30 BEEDRO COc1ccc(C[C@@H](C)[NH2+]CCC#N)cc1OC ZINC000020200162 175116003 /nfs/dbraw/zinc/11/60/03/175116003.db2.gz UNTVTKJKAZLYGF-LLVKDONJSA-N 1 0 248.326 2.138 20 30 BEEDRO COc1cccc(C[N@H+](C)CCCC#N)c1 ZINC000042223678 175254418 /nfs/dbraw/zinc/25/44/18/175254418.db2.gz JBCGPSBZYYAIBB-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO COc1ccccc1CNC(=[NH2+])NC1CCCC1 ZINC000048069723 175325941 /nfs/dbraw/zinc/32/59/41/175325941.db2.gz SKVFBGIAOBKZNK-UHFFFAOYSA-N 1 0 247.342 2.042 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000355733888 175896724 /nfs/dbraw/zinc/89/67/24/175896724.db2.gz NGFJFTMXQIEHLJ-IUODEOHRSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000357570495 176013375 /nfs/dbraw/zinc/01/33/75/176013375.db2.gz NMQYPBYNFHYIDL-XUJVJEKNSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000267363884 176013616 /nfs/dbraw/zinc/01/36/16/176013616.db2.gz QEXPIUHTDAACEU-SMDDNHRTSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](O)C1 ZINC000265516714 176013622 /nfs/dbraw/zinc/01/36/22/176013622.db2.gz NGGPIHAPIJIYJA-SMDDNHRTSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC1(CO)CC1 ZINC000190047965 176016449 /nfs/dbraw/zinc/01/64/49/176016449.db2.gz PDKKBDYZAGVQID-LBPRGKRZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H]1CCC[N@H+](CCNc2cccc(C#N)n2)C1 ZINC000267165414 176097488 /nfs/dbraw/zinc/09/74/88/176097488.db2.gz BAAGPQQDXUJCCR-GFCCVEGCSA-N 1 0 244.342 2.097 20 30 BEEDRO C[C@@H]1CCC[C@@H](CO)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000136155247 176120048 /nfs/dbraw/zinc/12/00/48/176120048.db2.gz HVRGUNMEGJCFOC-DOMZBBRYSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000040718164 176173583 /nfs/dbraw/zinc/17/35/83/176173583.db2.gz WLLSHVVOQFHTMA-LLVKDONJSA-N 1 0 200.285 2.400 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000128430296 176233881 /nfs/dbraw/zinc/23/38/81/176233881.db2.gz KUOUGYHSBPRWCE-ZJUUUORDSA-N 1 0 204.273 2.429 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)CC(C)(C)O1 ZINC000045691291 176287957 /nfs/dbraw/zinc/28/79/57/176287957.db2.gz DNWLYCCANNAEHR-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)[C@@H]1C ZINC000293143360 176292479 /nfs/dbraw/zinc/29/24/79/176292479.db2.gz UIOHMBYLKWFMHM-VXGBXAGGSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)[C@@H]1C ZINC000293540362 176303513 /nfs/dbraw/zinc/30/35/13/176303513.db2.gz XXKYPJFMTJZXIB-GHMZBOCLSA-N 1 0 200.285 2.398 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000191752653 176341559 /nfs/dbraw/zinc/34/15/59/176341559.db2.gz DFNZHXACTFSIKJ-RISCZKNCSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000285582345 176343563 /nfs/dbraw/zinc/34/35/63/176343563.db2.gz UBWBQGAEWCNBNP-DOMZBBRYSA-N 1 0 244.338 2.320 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)c1cccc(C#N)c1)C(C)C ZINC001652363798 1173071547 /nfs/dbraw/zinc/07/15/47/1173071547.db2.gz LDVXXQQBFOVPBG-OAHLLOKOSA-N 1 0 244.338 2.488 20 30 BEEDRO C[C@H](C[NH2+][C@@H](C)c1ccc(C#N)cc1)N(C)C ZINC000038088809 176857516 /nfs/dbraw/zinc/85/75/16/176857516.db2.gz UCOLEXRUQJMKMC-NEPJUHHUSA-N 1 0 231.343 2.159 20 30 BEEDRO C[C@H](CCO)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000097439407 176864828 /nfs/dbraw/zinc/86/48/28/176864828.db2.gz KCYJSPDLSKZYML-NEPJUHHUSA-N 1 0 232.327 2.227 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)c1ccccn1 ZINC000189577796 176873150 /nfs/dbraw/zinc/87/31/50/176873150.db2.gz MFZBXWRLCPSODT-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)CCCCO ZINC000264023382 177031472 /nfs/dbraw/zinc/03/14/72/177031472.db2.gz XGROXLQQEULLCC-GFCCVEGCSA-N 1 0 232.327 2.324 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352668360 177033079 /nfs/dbraw/zinc/03/30/79/177033079.db2.gz RMYMVUZQABKCNI-DFBGVHRSSA-N 1 0 244.338 2.464 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)N1CCC[N@H+](C)CC1 ZINC000297703013 177035301 /nfs/dbraw/zinc/03/53/01/177035301.db2.gz AWSURAFIASCCOI-CYBMUJFWSA-N 1 0 243.354 2.257 20 30 BEEDRO C[C@H](c1ccco1)[N@H+](C)CCOCCC#N ZINC000292693810 177047310 /nfs/dbraw/zinc/04/73/10/177047310.db2.gz ARLRTDRKFNTTBM-LLVKDONJSA-N 1 0 222.288 2.203 20 30 BEEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC000191260512 177066409 /nfs/dbraw/zinc/06/64/09/177066409.db2.gz WNUGAQPTWFCXHQ-RYUDHWBXSA-N 1 0 244.338 2.292 20 30 BEEDRO C[C@H]1CCC[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000037910772 177108825 /nfs/dbraw/zinc/10/88/25/177108825.db2.gz QEBFEMOOVCFPNI-LBPRGKRZSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315237 177141906 /nfs/dbraw/zinc/14/19/06/177141906.db2.gz IXSUJTOOWXTBDE-GXFFZTMASA-N 1 0 217.316 2.175 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000293540370 177262420 /nfs/dbraw/zinc/26/24/20/177262420.db2.gz XXKYPJFMTJZXIB-WDEREUQCSA-N 1 0 200.285 2.398 20 30 BEEDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000353037760 177294688 /nfs/dbraw/zinc/29/46/88/177294688.db2.gz KYVJVVIUWIBDOS-SWLSCSKDSA-N 1 0 244.338 2.320 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000278077859 177294978 /nfs/dbraw/zinc/29/49/78/177294978.db2.gz ZRRLOHAHFSHHJQ-FZMZJTMJSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000300863307 177297145 /nfs/dbraw/zinc/29/71/45/177297145.db2.gz OBNMOULUIZOFIS-JOYOIKCWSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000336227070 177305818 /nfs/dbraw/zinc/30/58/18/177305818.db2.gz DJDXZQVVURTDOV-KWQFWETISA-N 1 0 238.381 2.461 20 30 BEEDRO C[C@H]1C[C@@H](C[NH3+])CN1c1ccc(C#N)c(Cl)c1 ZINC000216211001 177324946 /nfs/dbraw/zinc/32/49/46/177324946.db2.gz KIEPNRJENALMIN-UWVGGRQHSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000070357207 177332063 /nfs/dbraw/zinc/33/20/63/177332063.db2.gz HIPLWRKSIZJZII-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CCc2cccc(C#N)c2)CCO1 ZINC000341476564 177370320 /nfs/dbraw/zinc/37/03/20/177370320.db2.gz XTKVQRYIBAYIQN-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@H]1C[C@H](NCc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693704 177371057 /nfs/dbraw/zinc/37/10/57/177371057.db2.gz DDOXLMLHTGCNHL-WDEREUQCSA-N 1 0 249.383 2.192 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(C)ccc1NC ZINC001652433641 1173080013 /nfs/dbraw/zinc/08/00/13/1173080013.db2.gz URTBWEDIFBSRJF-LLVKDONJSA-N 1 0 202.301 2.148 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@@H]1CCC[C@@H]1C ZINC000488059896 225346309 /nfs/dbraw/zinc/34/63/09/225346309.db2.gz HEZHDSCDJBSHIP-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)c(C)c1)C1CC1 ZINC000488158357 225351974 /nfs/dbraw/zinc/35/19/74/225351974.db2.gz FKZFNPVCNJMWSG-OAHLLOKOSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](CCO)C(C)C)ccc1C#N ZINC000488315679 225361228 /nfs/dbraw/zinc/36/12/28/225361228.db2.gz QESXZUSDRZBLTM-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCCC(C)(C)C1 ZINC000309097775 487648813 /nfs/dbraw/zinc/64/88/13/487648813.db2.gz DLSUZZOZLBMDDE-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000400627710 226348106 /nfs/dbraw/zinc/34/81/06/226348106.db2.gz QQRTVXKRNUKQJR-HNNXBMFYSA-N 1 0 244.338 2.465 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000187687853 262709606 /nfs/dbraw/zinc/70/96/06/262709606.db2.gz USBRRDUZIUIXNJ-CYBMUJFWSA-N 1 0 246.310 2.130 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000680889872 487666102 /nfs/dbraw/zinc/66/61/02/487666102.db2.gz YCSUUNHVMGILAF-SNVBAGLBSA-N 1 0 217.259 2.103 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000177386283 487666512 /nfs/dbraw/zinc/66/65/12/487666512.db2.gz JBZOYAZTJWCUGE-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO CO[C@H](C)CC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404005263 229358122 /nfs/dbraw/zinc/35/81/22/229358122.db2.gz OCCBOAKHDARFFL-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO CN(C)CC(C)(C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404075246 229364984 /nfs/dbraw/zinc/36/49/84/229364984.db2.gz QLDUNPVPNSSJGF-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000675251125 487684375 /nfs/dbraw/zinc/68/43/75/487684375.db2.gz DQMQZYBZWBSOCH-CYBMUJFWSA-N 1 0 219.332 2.442 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399151639 262777257 /nfs/dbraw/zinc/77/72/57/262777257.db2.gz ZKLPZYAHTBFHBI-CQSZACIVSA-N 1 0 244.338 2.410 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000527717145 262875240 /nfs/dbraw/zinc/87/52/40/262875240.db2.gz SKPJUQREOJRTFK-YTLQFRNZSA-N 1 0 221.344 2.354 20 30 BEEDRO COCCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000527935954 262897122 /nfs/dbraw/zinc/89/71/22/262897122.db2.gz NIJCROOHXAJQPZ-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO CCC#C[C@H](C)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000671722424 487707748 /nfs/dbraw/zinc/70/77/48/487707748.db2.gz SVHCJSUAHTWCGG-KKUMJFAQSA-N 1 0 234.387 2.347 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)s2)O1 ZINC000398114604 267219740 /nfs/dbraw/zinc/21/97/40/267219740.db2.gz ZUNJYZWXENCWJR-UWVGGRQHSA-N 1 0 236.340 2.277 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C#N)cc1 ZINC000424328280 267223115 /nfs/dbraw/zinc/22/31/15/267223115.db2.gz NUJNMJFINWIWPJ-BFHYXJOUSA-N 1 0 230.311 2.122 20 30 BEEDRO CCCCN(O)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000904212240 584854511 /nfs/dbraw/zinc/85/45/11/584854511.db2.gz MPIBLBZEZPSFEO-SNVBAGLBSA-N 1 0 230.352 2.171 20 30 BEEDRO CC1(C)CC([NH2+]CCC#N)CC(C)(C)O1 ZINC001172641217 974892155 /nfs/dbraw/zinc/89/21/55/974892155.db2.gz FOBAYFAPHPXVQE-UHFFFAOYSA-N 1 0 210.321 2.226 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000555076831 487768695 /nfs/dbraw/zinc/76/86/95/487768695.db2.gz IQFFGSLARJEOPN-VIFPVBQESA-N 1 0 205.248 2.266 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)C(C)(C)OC ZINC000300747358 585522722 /nfs/dbraw/zinc/52/27/22/585522722.db2.gz DKSJPYBUUHITBV-QMMMGPOBSA-N 1 0 236.153 2.298 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000650321155 487787343 /nfs/dbraw/zinc/78/73/43/487787343.db2.gz XVBNWVMJIOKZDY-RDBSUJKOSA-N 1 0 223.360 2.441 20 30 BEEDRO C=C(C)CC[NH+]1CCC(NC(=O)CCC)CC1 ZINC000681399148 487792511 /nfs/dbraw/zinc/79/25/11/487792511.db2.gz OEZNTVWFGPYDBH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)C1 ZINC000566119263 487792679 /nfs/dbraw/zinc/79/26/79/487792679.db2.gz WEFBPACLLYQQIR-MJBXVCDLSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)CC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000681407911 487794825 /nfs/dbraw/zinc/79/48/25/487794825.db2.gz XJGGMYGIFIMGAY-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668010827 487795252 /nfs/dbraw/zinc/79/52/52/487795252.db2.gz KARFRJZLPXIQTC-HNNXBMFYSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](OC)C1CCC1 ZINC000659839097 487800603 /nfs/dbraw/zinc/80/06/03/487800603.db2.gz RRTJFCMJSJYNSF-CYBMUJFWSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000681476167 487801543 /nfs/dbraw/zinc/80/15/43/487801543.db2.gz NKWDYEMJHOTHPL-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153244 487807378 /nfs/dbraw/zinc/80/73/78/487807378.db2.gz LJAANMWLSTVNHF-CHWSQXEVSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nncn2CC)C1 ZINC000651664647 487813632 /nfs/dbraw/zinc/81/36/32/487813632.db2.gz XGALKULYCZXYMK-QWHCGFSZSA-N 1 0 248.374 2.175 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C(F)(F)F)nn1C ZINC000668040445 487815844 /nfs/dbraw/zinc/81/58/44/487815844.db2.gz XINRGFAKTFIHQB-UHFFFAOYSA-N 1 0 247.264 2.447 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2nncn2CC)C1 ZINC000651679234 487816386 /nfs/dbraw/zinc/81/63/86/487816386.db2.gz UNYYRKGDZLBNCQ-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000651685597 487817346 /nfs/dbraw/zinc/81/73/46/487817346.db2.gz YWWVVBUCSINNBC-QWHCGFSZSA-N 1 0 219.332 2.218 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)s1)C(C)C ZINC000300981244 527410069 /nfs/dbraw/zinc/41/00/69/527410069.db2.gz UFDYLWJQINPETF-LBPRGKRZSA-N 1 0 218.325 2.367 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CCOC)COC)C1 ZINC000651813970 487834515 /nfs/dbraw/zinc/83/45/15/487834515.db2.gz DSLCDKCUEPFFDS-MCIONIFRSA-N 1 0 241.375 2.372 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](OC)C1CCCC1 ZINC000851799001 588630494 /nfs/dbraw/zinc/63/04/94/588630494.db2.gz KAVOSIXBLMHWEX-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@](C)(O)CC ZINC000876915846 590251640 /nfs/dbraw/zinc/25/16/40/590251640.db2.gz YXXHHRXIVWWCIN-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+]CCCF)c1 ZINC000877091323 590281183 /nfs/dbraw/zinc/28/11/83/590281183.db2.gz FXGFOYCMMNPVBB-UHFFFAOYSA-N 1 0 227.670 2.056 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@](C)(CC)OC)C1 ZINC000877617745 590375982 /nfs/dbraw/zinc/37/59/82/590375982.db2.gz UMWVVXBJGROEJL-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCCCC[NH+]1CC(CC#N)C1 ZINC000877624946 590377287 /nfs/dbraw/zinc/37/72/87/590377287.db2.gz JHUMBSCJIPPAPD-UHFFFAOYSA-N 1 0 204.317 2.416 20 30 BEEDRO N#CCCNCc1cnc(C2CC2)s1 ZINC000308524287 631420961 /nfs/dbraw/zinc/42/09/61/631420961.db2.gz WGSYEMOSJLAIAQ-UHFFFAOYSA-N 1 0 207.302 2.024 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2nccnc2OC)C1 ZINC000668494051 487852397 /nfs/dbraw/zinc/85/23/97/487852397.db2.gz UZDXBRJKXUWJIC-LBPRGKRZSA-N 1 0 247.342 2.273 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]nc2ccccc21 ZINC000681758482 487856815 /nfs/dbraw/zinc/85/68/15/487856815.db2.gz ZVWCHEQIHZTCSH-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000234804025 487880605 /nfs/dbraw/zinc/88/06/05/487880605.db2.gz STQCSQSTGHWCDI-ZDUSSCGKSA-N 1 0 227.348 2.128 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415939657 487890121 /nfs/dbraw/zinc/89/01/21/487890121.db2.gz CTZUEYHXCXMREA-SNVBAGLBSA-N 1 0 233.315 2.102 20 30 BEEDRO CSC[C@](C)(O)C[NH2+]CC(C)(C)CCC#N ZINC000164622003 487890280 /nfs/dbraw/zinc/89/02/80/487890280.db2.gz SCQMGOMNWXOTIJ-GFCCVEGCSA-N 1 0 244.404 2.020 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccco1 ZINC000652259056 487896066 /nfs/dbraw/zinc/89/60/66/487896066.db2.gz DWRXVUIHXKFEJE-TUAOUCFPSA-N 1 0 248.326 2.140 20 30 BEEDRO C[C@H](CC#N)C(=O)Nc1ccccc1C[NH+](C)C ZINC000596786537 487903369 /nfs/dbraw/zinc/90/33/69/487903369.db2.gz ZPLHMTUTCQWNBB-LLVKDONJSA-N 1 0 245.326 2.236 20 30 BEEDRO C=CCC1([NH2+][C@H]2CSC[C@H]2C)CCOCC1 ZINC000668551338 487921837 /nfs/dbraw/zinc/92/18/37/487921837.db2.gz KLIBOBWCKMQQCF-NEPJUHHUSA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CSC[C@H]2C)CCOCC1 ZINC000668551341 487922204 /nfs/dbraw/zinc/92/22/04/487922204.db2.gz KLIBOBWCKMQQCF-VXGBXAGGSA-N 1 0 241.400 2.453 20 30 BEEDRO C=CCCC(C)(C)NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000659556371 487939185 /nfs/dbraw/zinc/93/91/85/487939185.db2.gz RYKYITPWQKLUBM-GHMZBOCLSA-N 1 0 241.379 2.156 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172744912 974918056 /nfs/dbraw/zinc/91/80/56/974918056.db2.gz WOCXYQGYXJJTQE-GXTWGEPZSA-N 1 0 239.359 2.498 20 30 BEEDRO CC(C)OC(=O)CC[C@H](C)[NH2+]CCCC#N ZINC001172744047 974918002 /nfs/dbraw/zinc/91/80/02/974918002.db2.gz MZBFQGAWCIVANH-NSHDSACASA-N 1 0 226.320 2.000 20 30 BEEDRO N#CCc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000564961525 322982022 /nfs/dbraw/zinc/98/20/22/322982022.db2.gz RQQPMHDXXZEIMI-UHFFFAOYSA-N 1 0 218.275 2.344 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000566406843 322992855 /nfs/dbraw/zinc/99/28/55/322992855.db2.gz MZUFNSRRZHDMJS-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(OC)nc1)C1CCCC1 ZINC000155777736 323001976 /nfs/dbraw/zinc/00/19/76/323001976.db2.gz IUCYFVUBQHHDBC-UHFFFAOYSA-N 1 0 244.338 2.468 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000245498205 323006360 /nfs/dbraw/zinc/00/63/60/323006360.db2.gz VPZKSFKZHWNWMP-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000562345009 323017342 /nfs/dbraw/zinc/01/73/42/323017342.db2.gz RWRCGKUUXHFWSK-OLZOCXBDSA-N 1 0 247.342 2.121 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1nnc(C2CC2)o1 ZINC000562353644 323017577 /nfs/dbraw/zinc/01/75/77/323017577.db2.gz VDGRYEPNKOWSCD-LLVKDONJSA-N 1 0 233.315 2.488 20 30 BEEDRO N#CC1(C[NH2+][C@H](CO)C2CCCCC2)CCC1 ZINC000562703191 323028362 /nfs/dbraw/zinc/02/83/62/323028362.db2.gz JEKVUTNZOZWBGV-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccccc1C ZINC000677047024 487957274 /nfs/dbraw/zinc/95/72/74/487957274.db2.gz OXASPQRVDJRTDP-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO CCc1nocc1C[NH+]1CCC(CC#N)CC1 ZINC000569703988 323037833 /nfs/dbraw/zinc/03/78/33/323037833.db2.gz HCLVMROHLNAFCX-UHFFFAOYSA-N 1 0 233.315 2.363 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000570102833 323049919 /nfs/dbraw/zinc/04/99/19/323049919.db2.gz BCXJLQLQXNPLIA-RWMBFGLXSA-N 1 0 238.375 2.317 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC(CC)(CC)C[NH3+] ZINC000570221760 323053096 /nfs/dbraw/zinc/05/30/96/323053096.db2.gz CNQKEBSNPZAISG-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO CC(C)[N@@H+](CC#Cc1ccc(F)cc1)C[C@H](C)O ZINC000160069695 323059436 /nfs/dbraw/zinc/05/94/36/323059436.db2.gz LZYFJKKKVVUOII-ZDUSSCGKSA-N 1 0 249.329 2.268 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](C)COC)cc1 ZINC000289260607 323063603 /nfs/dbraw/zinc/06/36/03/323063603.db2.gz MPSQRIFZSSTSTC-LBPRGKRZSA-N 1 0 217.312 2.040 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000570837033 323072014 /nfs/dbraw/zinc/07/20/14/323072014.db2.gz NOBWYPYDWHKBSJ-CYBMUJFWSA-N 1 0 247.317 2.298 20 30 BEEDRO CC(C)C[N@@H+]1CCCC[C@H]1CNCCC#N ZINC000562997230 323078768 /nfs/dbraw/zinc/07/87/68/323078768.db2.gz QVQIDPQHIYHKQI-ZDUSSCGKSA-N 1 0 223.364 2.000 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000567821790 323090057 /nfs/dbraw/zinc/09/00/57/323090057.db2.gz LIMHEFDTYCTKML-SRVKXCTJSA-N 1 0 241.379 2.156 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000313492841 323091983 /nfs/dbraw/zinc/09/19/83/323091983.db2.gz PMUCTNKZHPDDRT-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO C=C[C@H](CC(=O)NC(C)(C)C[NH3+])c1ccccc1 ZINC000563201571 323101465 /nfs/dbraw/zinc/10/14/65/323101465.db2.gz WMTIDYHZWPOTBQ-GFCCVEGCSA-N 1 0 246.354 2.200 20 30 BEEDRO C[NH+](C)C1(CNc2ccnc(C#N)c2)CCCC1 ZINC000132794096 323118849 /nfs/dbraw/zinc/11/88/49/323118849.db2.gz JRPRZNZZEIJDED-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO N#CCCCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366492635 323121529 /nfs/dbraw/zinc/12/15/29/323121529.db2.gz VWRDFDALTWYPCU-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N(C)C(C)C ZINC000152529681 323131828 /nfs/dbraw/zinc/13/18/28/323131828.db2.gz PXTHLRKHJUJLJE-LBPRGKRZSA-N 1 0 226.364 2.140 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCCCn1cccn1 ZINC000563633018 323132750 /nfs/dbraw/zinc/13/27/50/323132750.db2.gz XBQLIUYXBSYUNR-ZDUSSCGKSA-N 1 0 234.347 2.335 20 30 BEEDRO Cc1ccc([C@@H](CNCCC#N)[NH+](C)C)cc1 ZINC000571276960 323139816 /nfs/dbraw/zinc/13/98/16/323139816.db2.gz DCSLGRACQGUHAN-CQSZACIVSA-N 1 0 231.343 2.101 20 30 BEEDRO C=CCCCC[N@@H+](CC(=O)OC)C(C)C ZINC000571374338 323143085 /nfs/dbraw/zinc/14/30/85/323143085.db2.gz OTBBDFFBPBBBEZ-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCc1cccc(C)n1 ZINC000571462149 323145461 /nfs/dbraw/zinc/14/54/61/323145461.db2.gz MNQZFDFOGOVILK-GFCCVEGCSA-N 1 0 217.316 2.214 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1cccc(C)n1 ZINC000571462151 323145510 /nfs/dbraw/zinc/14/55/10/323145510.db2.gz MNQZFDFOGOVILK-LBPRGKRZSA-N 1 0 217.316 2.214 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000563806345 323178101 /nfs/dbraw/zinc/17/81/01/323178101.db2.gz RLDICVVCSWPULE-OAHLLOKOSA-N 1 0 246.354 2.445 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000134964659 323178131 /nfs/dbraw/zinc/17/81/31/323178131.db2.gz SIZJHCXRNWHQQY-TZMCWYRMSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1C[C@H](CO)C[N@H+](CCCC(C)(C)C#N)C1 ZINC000398655604 323188536 /nfs/dbraw/zinc/18/85/36/323188536.db2.gz MMCPBSVWWRRLIY-OLZOCXBDSA-N 1 0 238.375 2.267 20 30 BEEDRO CC(C)(CCC#N)C[NH+]1CCC(CCO)CC1 ZINC000535782297 323191133 /nfs/dbraw/zinc/19/11/33/323191133.db2.gz JCJPXPXTANTSAT-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)CCC ZINC000328203996 323199354 /nfs/dbraw/zinc/19/93/54/323199354.db2.gz UJQAUTVMIHAONA-CYBMUJFWSA-N 1 0 210.365 2.110 20 30 BEEDRO C=CCCCN(C)C(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399410630 323205896 /nfs/dbraw/zinc/20/58/96/323205896.db2.gz VYCPRTRYSFJCKW-VXGBXAGGSA-N 1 0 226.364 2.030 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000309189361 323325791 /nfs/dbraw/zinc/32/57/91/323325791.db2.gz PLSDFIFYJAUUQM-AVGNSLFASA-N 1 0 211.349 2.339 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000309246227 323331197 /nfs/dbraw/zinc/33/11/97/323331197.db2.gz ZHZGEZDVABCEGT-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCCC23CCC3)nc1 ZINC000565158914 323345060 /nfs/dbraw/zinc/34/50/60/323345060.db2.gz WBZOIKOURYIZCP-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000564093677 323428377 /nfs/dbraw/zinc/42/83/77/323428377.db2.gz BKMQZSVJYWYHQD-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)no2)C1 ZINC000677048489 487959183 /nfs/dbraw/zinc/95/91/83/487959183.db2.gz YXTKHSFAHMAMRE-AAEUAGOBSA-N 1 0 247.342 2.359 20 30 BEEDRO CCC#C[C@@H](C)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000677048468 487958983 /nfs/dbraw/zinc/95/89/83/487958983.db2.gz YQGDFJMAFMOZBY-HUUCEWRRSA-N 1 0 234.387 2.349 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000123170498 324091628 /nfs/dbraw/zinc/09/16/28/324091628.db2.gz MBLDSLYWZVTOIM-NSHDSACASA-N 1 0 240.347 2.162 20 30 BEEDRO C#CC[N@@H+](CC(OCC)OCC)C1CCCC1 ZINC000124639091 324103503 /nfs/dbraw/zinc/10/35/03/324103503.db2.gz BUDQUTQDELHTTA-UHFFFAOYSA-N 1 0 239.359 2.263 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC000449228455 324139103 /nfs/dbraw/zinc/13/91/03/324139103.db2.gz UHMMFEDAHDIBHB-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)COc1ccc(C)cc1 ZINC000682434965 487962713 /nfs/dbraw/zinc/96/27/13/487962713.db2.gz FZYNZTSYKCSBHY-CQSZACIVSA-N 1 0 249.354 2.243 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000529588531 324354148 /nfs/dbraw/zinc/35/41/48/324354148.db2.gz DDCKVGDJPDPCMR-JQWIXIFHSA-N 1 0 233.290 2.393 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc(N2CCCC2)nc1 ZINC000682436388 487963119 /nfs/dbraw/zinc/96/31/19/487963119.db2.gz KWEVZZFDQPLNCE-UHFFFAOYSA-N 1 0 246.358 2.085 20 30 BEEDRO CCn1c2ccccc2nc1C[NH2+]CCCC#N ZINC000542311530 325020247 /nfs/dbraw/zinc/02/02/47/325020247.db2.gz OBLDLYZLQQDBOR-UHFFFAOYSA-N 1 0 242.326 2.450 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000130462840 325053798 /nfs/dbraw/zinc/05/37/98/325053798.db2.gz PNIVYMKIFSWVCV-ZETCQYMHSA-N 1 0 212.274 2.320 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000130492874 325057964 /nfs/dbraw/zinc/05/79/64/325057964.db2.gz QPZSORGVAVQYCO-SECBINFHSA-N 1 0 207.273 2.065 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000543592122 325095617 /nfs/dbraw/zinc/09/56/17/325095617.db2.gz RCFBZEHXGREKCS-OLZOCXBDSA-N 1 0 237.343 2.375 20 30 BEEDRO CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H](C)C#N)n1 ZINC000543623783 325098861 /nfs/dbraw/zinc/09/88/61/325098861.db2.gz LBVJIGNMAQPFTM-VXGBXAGGSA-N 1 0 234.347 2.144 20 30 BEEDRO CCC[C@H]1C[N@H+](CCCCC#N)CCO1 ZINC000131566504 325164367 /nfs/dbraw/zinc/16/43/67/325164367.db2.gz HNOAUUCRPOEZQQ-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H](C(=O)NCCCC)C1 ZINC000132665688 325234135 /nfs/dbraw/zinc/23/41/35/325234135.db2.gz QKWRZSQHAZZMHN-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000545904483 325245209 /nfs/dbraw/zinc/24/52/09/325245209.db2.gz WHOXZIXPVWAXDL-NSHDSACASA-N 1 0 249.276 2.443 20 30 BEEDRO C=CCCC[N@@H+](CC(=O)OC)C1CCCC1 ZINC000134044408 325338908 /nfs/dbraw/zinc/33/89/08/325338908.db2.gz KRYVKSYXTDENMU-UHFFFAOYSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCC=C(C)C ZINC000134401898 325357334 /nfs/dbraw/zinc/35/73/34/325357334.db2.gz GHIQSMQXHXGKFG-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)CCC=C(C)C ZINC000134401922 325357421 /nfs/dbraw/zinc/35/74/21/325357421.db2.gz GHIQSMQXHXGKFG-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[N@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000547646276 325378272 /nfs/dbraw/zinc/37/82/72/325378272.db2.gz FXWGEAGWBWQGIA-UHFFFAOYSA-N 1 0 245.326 2.250 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1cccc(O)c1 ZINC000547767816 325393942 /nfs/dbraw/zinc/39/39/42/325393942.db2.gz QGWNSUOYLDVTPR-UHFFFAOYSA-N 1 0 235.327 2.417 20 30 BEEDRO CC[N@@H+]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000135151441 325397404 /nfs/dbraw/zinc/39/74/04/325397404.db2.gz ZDVFQNXWJWIZBR-ZDUSSCGKSA-N 1 0 237.391 2.248 20 30 BEEDRO C[C@H]1C[C@H](C)[NH+]1CCOc1cccc(C#N)c1 ZINC000548753431 325478144 /nfs/dbraw/zinc/47/81/44/325478144.db2.gz WSJJOGSAALUFQH-RYUDHWBXSA-N 1 0 230.311 2.420 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(CO)cc1 ZINC000122154623 487968579 /nfs/dbraw/zinc/96/85/79/487968579.db2.gz MZXFVXIJEMUAPZ-NSHDSACASA-N 1 0 205.301 2.233 20 30 BEEDRO Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000552319237 325620521 /nfs/dbraw/zinc/62/05/21/325620521.db2.gz HRGAIQWCGVDRFD-RAIGVLPGSA-N 1 0 244.342 2.153 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252730912 325693553 /nfs/dbraw/zinc/69/35/53/325693553.db2.gz NKTYUAYLJMGZRC-FDYHWXHSSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCCCCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566808020 326085158 /nfs/dbraw/zinc/08/51/58/326085158.db2.gz XURGEYNOWOFYIC-VXGBXAGGSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CCCCCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566808019 326085682 /nfs/dbraw/zinc/08/56/82/326085682.db2.gz XURGEYNOWOFYIC-RYUDHWBXSA-N 1 0 241.379 2.158 20 30 BEEDRO CC[C@H]1C[C@H](C[NH2+]CC2(C#N)CC2)CCO1 ZINC000309704180 326165267 /nfs/dbraw/zinc/16/52/67/326165267.db2.gz NSVNWOVULNMTNP-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO CC(C)CC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000567345435 326168528 /nfs/dbraw/zinc/16/85/28/326168528.db2.gz HWDJTWMPDUEQPS-MRXNPFEDSA-N 1 0 245.366 2.425 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000567345434 326169227 /nfs/dbraw/zinc/16/92/27/326169227.db2.gz HWDJTWMPDUEQPS-INIZCTEOSA-N 1 0 245.366 2.425 20 30 BEEDRO N#CC1CCC(C[NH2+]CC2(O)CCCC2)CC1 ZINC000567378546 326179115 /nfs/dbraw/zinc/17/91/15/326179115.db2.gz JZVXTRFQPJEZDU-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccc(C(=O)OC)n1 ZINC000567438642 326190856 /nfs/dbraw/zinc/19/08/56/326190856.db2.gz JUEVNFIQPWYYBV-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C#CC[N@@H+](CCCCOC)C1CCCC1 ZINC000155906887 326214214 /nfs/dbraw/zinc/21/42/14/326214214.db2.gz UTYLZUWWAZPOFJ-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO COc1cccc(C[C@@H](C)[NH2+]CCC#N)c1 ZINC000567692511 326245951 /nfs/dbraw/zinc/24/59/51/326245951.db2.gz VVMCUAMHDWJNEW-LLVKDONJSA-N 1 0 218.300 2.129 20 30 BEEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000567701750 326248352 /nfs/dbraw/zinc/24/83/52/326248352.db2.gz JVVVIZJWAMFQJV-GXTWGEPZSA-N 1 0 244.338 2.044 20 30 BEEDRO C=C[C@@H](CC(=O)NC[C@@H]([NH3+])CC)c1ccccc1 ZINC000567982332 326290987 /nfs/dbraw/zinc/29/09/87/326290987.db2.gz VWPIRYFGDAVXOF-JSGCOSHPSA-N 1 0 246.354 2.200 20 30 BEEDRO C=C1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000568150872 326313671 /nfs/dbraw/zinc/31/36/71/326313671.db2.gz YJDHASZJOLNXBE-LBPRGKRZSA-N 1 0 244.338 2.499 20 30 BEEDRO C=C1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000568150871 326313852 /nfs/dbraw/zinc/31/38/52/326313852.db2.gz YJDHASZJOLNXBE-GFCCVEGCSA-N 1 0 244.338 2.499 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)C(C)(C)C ZINC000568506787 326360670 /nfs/dbraw/zinc/36/06/70/326360670.db2.gz ASQSXMVTEZKSDJ-UHFFFAOYSA-N 1 0 226.364 2.141 20 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CCC#C[C@@H](C)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000677133265 487980818 /nfs/dbraw/zinc/98/08/18/487980818.db2.gz PJPSXDJXQVYXLY-CHWSQXEVSA-N 1 0 231.343 2.391 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@H]1CCO[C@H](CC)C1 ZINC000490933622 488026968 /nfs/dbraw/zinc/02/69/68/488026968.db2.gz FGRRSMKZGQAZPC-LSDHHAIUSA-N 1 0 233.355 2.150 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCO[C@@H](CC)C1 ZINC000490934451 488028086 /nfs/dbraw/zinc/02/80/86/488028086.db2.gz IDTSCHRFRJPGBA-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C[NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000229976710 488030373 /nfs/dbraw/zinc/03/03/73/488030373.db2.gz AVDQIJRUWYQPLB-ZDUSSCGKSA-N 1 0 205.301 2.060 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1ccc(OCC)cc1 ZINC000677477197 488046442 /nfs/dbraw/zinc/04/64/42/488046442.db2.gz VNLDTYFTKHQHRS-HNNXBMFYSA-N 1 0 249.354 2.454 20 30 BEEDRO CCC#C[C@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000677477787 488046473 /nfs/dbraw/zinc/04/64/73/488046473.db2.gz XONXXQGSZIQATC-AWEZNQCLSA-N 1 0 234.387 2.349 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCOc1cccc(C)c1 ZINC000677477220 488046584 /nfs/dbraw/zinc/04/65/84/488046584.db2.gz APPKWAUAVAGKBO-OAHLLOKOSA-N 1 0 249.354 2.243 20 30 BEEDRO CCC#C[C@@H](C)N1CC[NH+](C2CCCC2)CC1 ZINC000677477788 488047343 /nfs/dbraw/zinc/04/73/43/488047343.db2.gz XONXXQGSZIQATC-CQSZACIVSA-N 1 0 234.387 2.349 20 30 BEEDRO CC[N@H+](CC#CCOC)[C@@H](C)c1cccc(O)c1 ZINC000677478540 488048326 /nfs/dbraw/zinc/04/83/26/488048326.db2.gz AETOAZBAIVYHGY-ZDUSSCGKSA-N 1 0 247.338 2.425 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc(OC)c(C)c1 ZINC000677478312 488048782 /nfs/dbraw/zinc/04/87/82/488048782.db2.gz UVYUUBKTNBWKBS-UHFFFAOYSA-N 1 0 247.338 2.085 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1cnn(C)c1 ZINC000305145416 488052210 /nfs/dbraw/zinc/05/22/10/488052210.db2.gz BJHOBAUCXWNWDC-SECBINFHSA-N 1 0 246.339 2.204 20 30 BEEDRO C[C@H]([NH2+]Cc1cc(C#N)cs1)c1cnn(C)c1 ZINC000305145418 488052584 /nfs/dbraw/zinc/05/25/84/488052584.db2.gz BJHOBAUCXWNWDC-VIFPVBQESA-N 1 0 246.339 2.204 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667623774 488061569 /nfs/dbraw/zinc/06/15/69/488061569.db2.gz DQAYLGIPIPRJAU-UHFFFAOYSA-N 1 0 231.343 2.227 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cnc(C)n1C ZINC000667656471 488076713 /nfs/dbraw/zinc/07/67/13/488076713.db2.gz IEXYACYHODXVHC-UHFFFAOYSA-N 1 0 207.321 2.127 20 30 BEEDRO C=CCCCN(C)Cc1cn(C2CCC2)nn1 ZINC000667655875 488076820 /nfs/dbraw/zinc/07/68/20/488076820.db2.gz SHHNROACKYTFJF-UHFFFAOYSA-N 1 0 234.347 2.401 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1ccn(CC)c1 ZINC000683029181 488100309 /nfs/dbraw/zinc/10/03/09/488100309.db2.gz GVRJKYQCMABPMY-UHFFFAOYSA-N 1 0 204.317 2.353 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(C)ccc2C1 ZINC000683028412 488100860 /nfs/dbraw/zinc/10/08/60/488100860.db2.gz UPTUYFDSTFAREN-OAHLLOKOSA-N 1 0 231.339 2.290 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC1([NH3+])CCC1 ZINC000237043949 488101700 /nfs/dbraw/zinc/10/17/00/488101700.db2.gz CUDCEOPJYMFSBH-UHFFFAOYSA-N 1 0 238.375 2.463 20 30 BEEDRO C=C(CC)CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667732848 488103636 /nfs/dbraw/zinc/10/36/36/488103636.db2.gz UOIXCCUXGWFFPT-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000680107933 487537428 /nfs/dbraw/zinc/53/74/28/487537428.db2.gz KICQYCXZJYIFKG-MRXNPFEDSA-N 1 0 243.350 2.434 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000680107931 487537463 /nfs/dbraw/zinc/53/74/63/487537463.db2.gz KICQYCXZJYIFKG-INIZCTEOSA-N 1 0 243.350 2.434 20 30 BEEDRO C=C(C)CC[N@H+](C)CCN1CCCCC1 ZINC000231413263 488114654 /nfs/dbraw/zinc/11/46/54/488114654.db2.gz AYROIDQICRGYAW-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000670108179 488116969 /nfs/dbraw/zinc/11/69/69/488116969.db2.gz DHKMSHXEGJZFEZ-ZJUUUORDSA-N 1 0 217.259 2.102 20 30 BEEDRO C[N@H+](C[C@@H](C#N)CCC#N)CC1CCC1 ZINC000112560559 488119002 /nfs/dbraw/zinc/11/90/02/488119002.db2.gz JCHDQTXVVUKBLF-GFCCVEGCSA-N 1 0 205.305 2.162 20 30 BEEDRO COCC#CC[N@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000677817112 488129767 /nfs/dbraw/zinc/12/97/67/488129767.db2.gz HWUANAXLHPGECS-ZDUSSCGKSA-N 1 0 247.338 2.338 20 30 BEEDRO COCC#CCN1CCc2c(Cl)cccc2C1 ZINC000677816886 488129911 /nfs/dbraw/zinc/12/99/11/488129911.db2.gz COCSFJKSEJXGDU-UHFFFAOYSA-N 1 0 249.741 2.348 20 30 BEEDRO COCC#CC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000677816788 488130154 /nfs/dbraw/zinc/13/01/54/488130154.db2.gz ANOGEOKTRVHMPP-CYBMUJFWSA-N 1 0 229.323 2.083 20 30 BEEDRO COCC#CCN1CCc2sccc2[C@@H]1C ZINC000677817050 488130280 /nfs/dbraw/zinc/13/02/80/488130280.db2.gz FYYDPPDLIGTOFF-NSHDSACASA-N 1 0 235.352 2.317 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000677817719 488131565 /nfs/dbraw/zinc/13/15/65/488131565.db2.gz AJRBCRCHWBTRGO-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@@H+]1CCc2ccccc2[C@H]1C ZINC000677818243 488133398 /nfs/dbraw/zinc/13/33/98/488133398.db2.gz XNLDVJKTOYBBGK-CYBMUJFWSA-N 1 0 229.323 2.256 20 30 BEEDRO C=C1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000382556523 487546803 /nfs/dbraw/zinc/54/68/03/487546803.db2.gz KXJLBQQAKKNPIU-ZDUSSCGKSA-N 1 0 238.375 2.176 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000674286873 487547584 /nfs/dbraw/zinc/54/75/84/487547584.db2.gz DGVNXOJWTUQLKN-NSHDSACASA-N 1 0 248.326 2.140 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000668248393 487551186 /nfs/dbraw/zinc/55/11/86/487551186.db2.gz MCSUDXCFOXGAOS-QMVSFRDZSA-N 1 0 221.344 2.356 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000657972062 487495492 /nfs/dbraw/zinc/49/54/92/487495492.db2.gz OFURPSFBYHUDAJ-VIFPVBQESA-N 1 0 221.291 2.458 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCOCCO ZINC000657973192 487497845 /nfs/dbraw/zinc/49/78/45/487497845.db2.gz VNGDIAVATJCCDC-KGLIPLIRSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000651952616 487503871 /nfs/dbraw/zinc/50/38/71/487503871.db2.gz NMLIWXXNGJJVPN-NEPJUHHUSA-N 1 0 219.332 2.255 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@](C)(c2ccccc2)C1 ZINC000677819935 487516762 /nfs/dbraw/zinc/51/67/62/487516762.db2.gz DIXBQKUTGZBTLY-MRXNPFEDSA-N 1 0 243.350 2.300 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000168537538 487518003 /nfs/dbraw/zinc/51/80/03/487518003.db2.gz RGQRQLKWYQGQGL-UHFFFAOYSA-N 1 0 219.284 2.124 20 30 BEEDRO C=CCC[NH2+]Cc1cccc2c1OCCO2 ZINC000168558484 487520926 /nfs/dbraw/zinc/52/09/26/487520926.db2.gz XOIPRYOYWLAZQX-UHFFFAOYSA-N 1 0 219.284 2.124 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)COc1c(C)cccc1C ZINC000161931816 487526563 /nfs/dbraw/zinc/52/65/63/487526563.db2.gz WPZHZVAMOLEPIF-AWEZNQCLSA-N 1 0 249.354 2.209 20 30 BEEDRO CCC#C[C@H](C)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000683228138 488135399 /nfs/dbraw/zinc/13/53/99/488135399.db2.gz VQIPNCOICGWPSI-UONOGXRCSA-N 1 0 222.376 2.204 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@H]1c1cccc(C)n1 ZINC000677820232 488137700 /nfs/dbraw/zinc/13/77/00/488137700.db2.gz JZERKCSGVPAYPU-HNNXBMFYSA-N 1 0 244.338 2.177 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000657861088 488153760 /nfs/dbraw/zinc/15/37/60/488153760.db2.gz DXTSNYXSSLXBMD-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N(C)C ZINC000657861090 488153937 /nfs/dbraw/zinc/15/39/37/488153937.db2.gz DXTSNYXSSLXBMD-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCOCC[NH2+]C[C@H]1CCOc2ccccc21 ZINC000374820413 488167283 /nfs/dbraw/zinc/16/72/83/488167283.db2.gz PRTDOGWOXPYIMA-CYBMUJFWSA-N 1 0 247.338 2.345 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCCc2ccccc2C1 ZINC000678049053 488184664 /nfs/dbraw/zinc/18/46/64/488184664.db2.gz BRMISQNVDXWHMR-HNNXBMFYSA-N 1 0 231.339 2.372 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000657927331 488184693 /nfs/dbraw/zinc/18/46/93/488184693.db2.gz PRAWJAIOCNHXMB-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(CO)(OC)CC1 ZINC000683676496 488206522 /nfs/dbraw/zinc/20/65/22/488206522.db2.gz YJPFMVHHMYYTIX-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](C)C2(CCC2)C1 ZINC000678469359 488256307 /nfs/dbraw/zinc/25/63/07/488256307.db2.gz RFPXGKIKBVQYRE-ZDUSSCGKSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(CC)C[NH+]1CCC2(CCOC2)CC1 ZINC000678626327 488273949 /nfs/dbraw/zinc/27/39/49/488273949.db2.gz BMMHOBDGGVCJFB-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO CCC#C[C@H](C)[N@H+]1C[C@@H](C2CC2)O[C@@H](C)C1 ZINC000684207674 488276668 /nfs/dbraw/zinc/27/66/68/488276668.db2.gz BLDWWYBLVNSHEB-OBJOEFQTSA-N 1 0 221.344 2.288 20 30 BEEDRO CCC#C[C@@H](C)N(C)Cc1nccs1 ZINC000678714649 488276765 /nfs/dbraw/zinc/27/67/65/488276765.db2.gz HNSJHWUKGQZIKH-SNVBAGLBSA-N 1 0 208.330 2.377 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000684207990 488276814 /nfs/dbraw/zinc/27/68/14/488276814.db2.gz PCWNLNOISRCSBH-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)CC(=O)N1CCCC1 ZINC000678714445 488277047 /nfs/dbraw/zinc/27/70/47/488277047.db2.gz AYOAXFWTEVIYRR-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO COCC#CCN[C@@H](C)c1ccc(F)cc1F ZINC000678728397 488279177 /nfs/dbraw/zinc/27/91/77/488279177.db2.gz QQVJOLOXRNTSDL-JTQLQIEISA-N 1 0 239.265 2.265 20 30 BEEDRO COCC#CCN[C@H](C)c1ccc(F)cc1F ZINC000678728398 488279183 /nfs/dbraw/zinc/27/91/83/488279183.db2.gz QQVJOLOXRNTSDL-SNVBAGLBSA-N 1 0 239.265 2.265 20 30 BEEDRO C=CCCC[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000678776111 488282258 /nfs/dbraw/zinc/28/22/58/488282258.db2.gz DLEJLQFKYRJSGR-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1c(F)cccc1CC ZINC000684395403 488305323 /nfs/dbraw/zinc/30/53/23/488305323.db2.gz BGKAAGAMXJRNNZ-LBPRGKRZSA-N 1 0 237.318 2.415 20 30 BEEDRO CCC#C[C@@H](C)N1CCO[C@H](C(C)C)C1 ZINC000679218343 488317934 /nfs/dbraw/zinc/31/79/34/488317934.db2.gz AXILAHTXMPCJOD-OLZOCXBDSA-N 1 0 209.333 2.145 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(O)cc1 ZINC000684798187 488343152 /nfs/dbraw/zinc/34/31/52/488343152.db2.gz GKQNIHGFIHZWPN-HIFRSBDPSA-N 1 0 247.338 2.463 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)nn1 ZINC000653766853 490098189 /nfs/dbraw/zinc/09/81/89/490098189.db2.gz VVOVQROTQFVFRM-YNEHKIRRSA-N 1 0 248.374 2.331 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)nn1 ZINC000653766851 490098255 /nfs/dbraw/zinc/09/82/55/490098255.db2.gz VVOVQROTQFVFRM-RWMBFGLXSA-N 1 0 248.374 2.331 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000303550492 490167992 /nfs/dbraw/zinc/16/79/92/490167992.db2.gz KUSZWXRZWBQOSJ-JTQLQIEISA-N 1 0 224.279 2.074 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1Cc1ccccc1C#N ZINC000334175092 490243659 /nfs/dbraw/zinc/24/36/59/490243659.db2.gz CEKGMKBSIPNCFZ-CHWSQXEVSA-N 1 0 243.354 2.083 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000677047868 490324720 /nfs/dbraw/zinc/32/47/20/490324720.db2.gz IIUYNTVDKSOHMN-UONOGXRCSA-N 1 0 245.370 2.086 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000305096209 490433788 /nfs/dbraw/zinc/43/37/88/490433788.db2.gz STKPLZCEGWJVRJ-INIZCTEOSA-N 1 0 245.366 2.414 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCc2ccccc2CC1 ZINC000305096210 490434097 /nfs/dbraw/zinc/43/40/97/490434097.db2.gz STKPLZCEGWJVRJ-MRXNPFEDSA-N 1 0 245.366 2.414 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000424202609 491075284 /nfs/dbraw/zinc/07/52/84/491075284.db2.gz QDBFRIOWRZYJQB-MFKMUULPSA-N 1 0 242.326 2.136 20 30 BEEDRO Cc1nccn1CCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595620691 491079525 /nfs/dbraw/zinc/07/95/25/491079525.db2.gz OWEUXIMZUGAILF-AWEZNQCLSA-N 1 0 246.358 2.207 20 30 BEEDRO CO[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)CC1 ZINC000602604186 491087618 /nfs/dbraw/zinc/08/76/18/491087618.db2.gz YCCBOUUWTSMFGB-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(C#N)cn2)C1 ZINC000267307188 491122466 /nfs/dbraw/zinc/12/24/66/491122466.db2.gz WGTJWIKKWQHTSS-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(OC)c(F)c1 ZINC000310213474 491127048 /nfs/dbraw/zinc/12/70/48/491127048.db2.gz HDAZUPPUNLAZEN-UHFFFAOYSA-N 1 0 239.290 2.127 20 30 BEEDRO COC(=O)[C@@H]1CCC[C@H]([NH2+]CCCS)CC1 ZINC001172777329 974938443 /nfs/dbraw/zinc/93/84/43/974938443.db2.gz PPWDVDUKSMIDMY-MNOVXSKESA-N 1 0 245.388 2.018 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1nccs1 ZINC000308974204 534011130 /nfs/dbraw/zinc/01/11/30/534011130.db2.gz GBVVXCJFTUAKAN-GUBZILKMSA-N 1 0 221.329 2.486 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cnn(C2CCC2)c1 ZINC000891716287 582713454 /nfs/dbraw/zinc/71/34/54/582713454.db2.gz NLMUFEPAEWMYII-LLVKDONJSA-N 1 0 232.331 2.200 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000335401236 536084679 /nfs/dbraw/zinc/08/46/79/536084679.db2.gz RHKDXOVMKYONEB-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000186687796 534316754 /nfs/dbraw/zinc/31/67/54/534316754.db2.gz ZVTLDBIHCXWPRQ-RYUDHWBXSA-N 1 0 235.327 2.288 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000336781936 534343692 /nfs/dbraw/zinc/34/36/92/534343692.db2.gz WCMWFXDBWNXQFI-QWRGUYRKSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290961416 534350525 /nfs/dbraw/zinc/35/05/25/534350525.db2.gz WHSUTFCXYVKGLA-VIFPVBQESA-N 1 0 216.288 2.012 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CCCC1 ZINC000336769562 534352260 /nfs/dbraw/zinc/35/22/60/534352260.db2.gz VTJVRTAMEZZGDP-DGCLKSJQSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1cnccn1 ZINC000336753033 534353934 /nfs/dbraw/zinc/35/39/34/534353934.db2.gz WDVFMNSEDONBBB-NWDGAFQWSA-N 1 0 219.332 2.209 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000343497930 534356589 /nfs/dbraw/zinc/35/65/89/534356589.db2.gz GQKNTZRVNGOYMU-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@@H](CO)C(C)(C)C ZINC000120554941 536314693 /nfs/dbraw/zinc/31/46/93/536314693.db2.gz JPRATFMTWMFBLX-NSHDSACASA-N 1 0 226.364 2.265 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000358245425 534359578 /nfs/dbraw/zinc/35/95/78/534359578.db2.gz IPMMTBWPPXBNLF-ZDEQEGDKSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C1CCSCC1 ZINC000336686834 534365864 /nfs/dbraw/zinc/36/58/64/534365864.db2.gz UTDGFFNJWPWBNI-WCQYABFASA-N 1 0 241.400 2.453 20 30 BEEDRO C=C(CC)C[NH+]1CCC(n2ccnc2)CC1 ZINC000358491503 534381682 /nfs/dbraw/zinc/38/16/82/534381682.db2.gz NQYYCJBWLAEPLH-UHFFFAOYSA-N 1 0 219.332 2.486 20 30 BEEDRO C=C(CC)C[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000358509128 534382401 /nfs/dbraw/zinc/38/24/01/534382401.db2.gz NLWABBIPGSGCEC-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](OCCOC)C1 ZINC000358835378 534384422 /nfs/dbraw/zinc/38/44/22/534384422.db2.gz WFWHKSSKMAWHGS-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc(OCC)c1 ZINC000341313104 534398583 /nfs/dbraw/zinc/39/85/83/534398583.db2.gz JKFKEUYLGUTMCS-AWEZNQCLSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1sccc1OC ZINC000336709134 534398627 /nfs/dbraw/zinc/39/86/27/534398627.db2.gz QZPHCPJJDRBMFW-JTQLQIEISA-N 1 0 241.356 2.031 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000352734612 534400174 /nfs/dbraw/zinc/40/01/74/534400174.db2.gz YWWXTORAUUEQSG-JSGCOSHPSA-N 1 0 249.354 2.097 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)OC)C1 ZINC000337430658 534403444 /nfs/dbraw/zinc/40/34/44/534403444.db2.gz FTBRGPDIGLYDJG-AAEUAGOBSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000309115141 534403500 /nfs/dbraw/zinc/40/35/00/534403500.db2.gz LEWJEEJWKCCMMN-AVGNSLFASA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000336309641 534403378 /nfs/dbraw/zinc/40/33/78/534403378.db2.gz CGJKRTRAAMEBPR-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000892145633 582800588 /nfs/dbraw/zinc/80/05/88/582800588.db2.gz ZYAOPJCZNUDSLU-QWRGUYRKSA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374395087 534438823 /nfs/dbraw/zinc/43/88/23/534438823.db2.gz RXOSEQXDEJRNKK-QWRGUYRKSA-N 1 0 215.724 2.097 20 30 BEEDRO C=C(Cl)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367606361 534441628 /nfs/dbraw/zinc/44/16/28/534441628.db2.gz WJLXNGLFUVUHIB-RYUDHWBXSA-N 1 0 228.767 2.298 20 30 BEEDRO C=C1CCN(C(=O)[C@H](CCC)[NH2+]C(C)C)CC1 ZINC000353340641 534456724 /nfs/dbraw/zinc/45/67/24/534456724.db2.gz TXHLSPGFKQUXQS-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000059082328 519963228 /nfs/dbraw/zinc/96/32/28/519963228.db2.gz BCUPOPRAPOCLPL-ZDUSSCGKSA-N 1 0 240.391 2.463 20 30 BEEDRO C=C1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000335937775 534464280 /nfs/dbraw/zinc/46/42/80/534464280.db2.gz OOVPEBJFCRPLHC-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C=C1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000336189003 534464325 /nfs/dbraw/zinc/46/43/25/534464325.db2.gz UPQYIAWSNRZDTJ-UHFFFAOYSA-N 1 0 207.317 2.398 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000304396244 534508155 /nfs/dbraw/zinc/50/81/55/534508155.db2.gz ZRYJHWJWGFRBCI-SNVBAGLBSA-N 1 0 219.332 2.438 20 30 BEEDRO C=C[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000119319253 534508432 /nfs/dbraw/zinc/50/84/32/534508432.db2.gz FNXSRUQLMDVDTH-SECBINFHSA-N 1 0 236.281 2.177 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353402095 534511964 /nfs/dbraw/zinc/51/19/64/534511964.db2.gz JQQANVWWCWTGHN-NXEZZACHSA-N 1 0 246.310 2.243 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC1(CCCC)CC1 ZINC000889525034 582815679 /nfs/dbraw/zinc/81/56/79/582815679.db2.gz JNJWJGHIZWTSIH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000336345540 534529904 /nfs/dbraw/zinc/52/99/04/534529904.db2.gz PIULQJSBFLEGBA-UHFFFAOYSA-N 1 0 242.326 2.308 20 30 BEEDRO C=CC1CC[NH+](Cc2cccnc2N)CC1 ZINC000336194697 534530903 /nfs/dbraw/zinc/53/09/03/534530903.db2.gz YLPBBDPPMKPEAF-UHFFFAOYSA-N 1 0 217.316 2.062 20 30 BEEDRO C=CC1CC[NH+]([C@H](CC(C)C)C(=O)OC)CC1 ZINC000352024553 534531680 /nfs/dbraw/zinc/53/16/80/534531680.db2.gz HPWDSZJTENUXEN-CYBMUJFWSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(OC)cn2)CC1 ZINC000338317595 534529698 /nfs/dbraw/zinc/52/96/98/534529698.db2.gz NWAQFCRGGSGOFW-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO C=C[C@@H](CO)[NH2+]C1CC(c2cccc(F)c2)C1 ZINC000289825273 534538841 /nfs/dbraw/zinc/53/88/41/534538841.db2.gz PBWFZPODOGUNTP-QRMWWUJWSA-N 1 0 235.302 2.208 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CCc1ccc(C(C)C)cc1 ZINC000356261621 534540387 /nfs/dbraw/zinc/54/03/87/534540387.db2.gz PKXUOXNHLLPIBI-HNNXBMFYSA-N 1 0 233.355 2.489 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352452019 534540403 /nfs/dbraw/zinc/54/04/03/534540403.db2.gz AAGZSOKJVDKJEP-LBPRGKRZSA-N 1 0 244.338 2.421 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000289442550 534541206 /nfs/dbraw/zinc/54/12/06/534541206.db2.gz AVCHNUIDWUHEQE-ZDUSSCGKSA-N 1 0 247.338 2.037 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000336737133 534542363 /nfs/dbraw/zinc/54/23/63/534542363.db2.gz JDGHGVLEMSTMMG-ONGXEEELSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C[N@@H+](C)C(C)C ZINC000352535319 534544122 /nfs/dbraw/zinc/54/41/22/534544122.db2.gz OZQJHHVBBGRNNW-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1ccc(CO)o1 ZINC000292986293 534551105 /nfs/dbraw/zinc/55/11/05/534551105.db2.gz NNMVMRPGZFBULE-UHFFFAOYSA-N 1 0 223.316 2.464 20 30 BEEDRO C=C[C@@H]1CCCC[N@@H+]1CC1=CCCOC1 ZINC000336364200 534558351 /nfs/dbraw/zinc/55/83/51/534558351.db2.gz UKRUEPZUGPTQGC-CYBMUJFWSA-N 1 0 207.317 2.374 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237937819 534560354 /nfs/dbraw/zinc/56/03/54/534560354.db2.gz MHSRWFKSIZEDTO-CYBMUJFWSA-N 1 0 236.359 2.095 20 30 BEEDRO C=CCC(CC=C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236653554 534563561 /nfs/dbraw/zinc/56/35/61/534563561.db2.gz VVDWMMMMTZAPLS-PBWFPOADSA-N 1 0 248.370 2.154 20 30 BEEDRO C=CCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367330891 534601737 /nfs/dbraw/zinc/60/17/37/534601737.db2.gz CFLQQAUQUMLTBA-FUNVUKJBSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000356285346 534604237 /nfs/dbraw/zinc/60/42/37/534604237.db2.gz QNMYVOFHWTWPJN-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376568851 534608549 /nfs/dbraw/zinc/60/85/49/534608549.db2.gz ITJWCIMQSOSBSD-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000173598078 534610648 /nfs/dbraw/zinc/61/06/48/534610648.db2.gz XCLGPJOGKGFKNB-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000338621454 534613745 /nfs/dbraw/zinc/61/37/45/534613745.db2.gz FFRMVLWWHRFQII-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116129459 534620870 /nfs/dbraw/zinc/62/08/70/534620870.db2.gz MDRFDVLHVUVJHP-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO CC(C)(C)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185832221 534627456 /nfs/dbraw/zinc/62/74/56/534627456.db2.gz ILUGNTMWBZNKCT-YNEHKIRRSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCC1(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000356090129 534639904 /nfs/dbraw/zinc/63/99/04/534639904.db2.gz HCESSWHCUXGZOK-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000175527942 534656980 /nfs/dbraw/zinc/65/69/80/534656980.db2.gz UEAXSIZMBZNLEO-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC(C)(C)c1ccccn1 ZINC000263052932 534662307 /nfs/dbraw/zinc/66/23/07/534662307.db2.gz DQIDDAGGXDCPJI-UHFFFAOYSA-N 1 0 248.374 2.062 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262352482 534662566 /nfs/dbraw/zinc/66/25/66/534662566.db2.gz BJWRUZFHGCYIFP-MRVPVSSYSA-N 1 0 233.306 2.125 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@]1(F)c1ccccc1 ZINC000263055885 534663292 /nfs/dbraw/zinc/66/32/92/534663292.db2.gz LRCLGXDCTAUKLX-FZMZJTMJSA-N 1 0 249.333 2.327 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000175831127 534663313 /nfs/dbraw/zinc/66/33/13/534663313.db2.gz NMFHUMJETOOLNL-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000119319081 534665438 /nfs/dbraw/zinc/66/54/38/534665438.db2.gz FNXSRUQLMDVDTH-VIFPVBQESA-N 1 0 236.281 2.177 20 30 BEEDRO C=C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000362616124 534665560 /nfs/dbraw/zinc/66/55/60/534665560.db2.gz VLFUYVVXLXASAI-VIFPVBQESA-N 1 0 238.356 2.114 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000162577384 534669620 /nfs/dbraw/zinc/66/96/20/534669620.db2.gz BLZQMWHPRBYXND-QJPTWQEYSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353402097 534669895 /nfs/dbraw/zinc/66/98/95/534669895.db2.gz JQQANVWWCWTGHN-UWVGGRQHSA-N 1 0 246.310 2.243 20 30 BEEDRO C=CCCCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000354287923 534679847 /nfs/dbraw/zinc/67/98/47/534679847.db2.gz WPGSTVITCHGLJL-BETUJISGSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000289759156 534682608 /nfs/dbraw/zinc/68/26/08/534682608.db2.gz LOTHGQXJUYEFSR-SMDDNHRTSA-N 1 0 219.328 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1cccs1 ZINC000308585244 534682916 /nfs/dbraw/zinc/68/29/16/534682916.db2.gz IDDPBCQYPUYGBO-ZJUUUORDSA-N 1 0 211.330 2.336 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1cccc(OC)c1 ZINC000353568221 534683557 /nfs/dbraw/zinc/68/35/57/534683557.db2.gz PHHXSRMFHBBRNV-OCCSQVGLSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000353572734 534683894 /nfs/dbraw/zinc/68/38/94/534683894.db2.gz YVUVSHQQKJLHER-WCQYABFASA-N 1 0 249.358 2.196 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000336091900 534693477 /nfs/dbraw/zinc/69/34/77/534693477.db2.gz OLBHKYFKTKZCTG-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000309061515 534693958 /nfs/dbraw/zinc/69/39/58/534693958.db2.gz WXUHJFZRKBAXAS-OLZOCXBDSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000309061517 534694507 /nfs/dbraw/zinc/69/45/07/534694507.db2.gz WXUHJFZRKBAXAS-STQMWFEESA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](N(CC)CC)C1 ZINC000076059232 534717207 /nfs/dbraw/zinc/71/72/07/534717207.db2.gz AANMJLHONIMLRD-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000377553745 534719636 /nfs/dbraw/zinc/71/96/36/534719636.db2.gz JPDSHTHKJUWXEA-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCC[N@@H+]1CCc2ccccc2[C@@H]1C(N)=O ZINC000369411838 534720803 /nfs/dbraw/zinc/72/08/03/534720803.db2.gz MYQZBHXOJGJVIQ-CQSZACIVSA-N 1 0 244.338 2.037 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000369407133 534723150 /nfs/dbraw/zinc/72/31/50/534723150.db2.gz LNGJHQCAUKYIEG-IHRRRGAJSA-N 1 0 239.359 2.221 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](O)C1 ZINC000305790658 534756846 /nfs/dbraw/zinc/75/68/46/534756846.db2.gz ZZCGACOPBFFJOR-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000348158841 534761786 /nfs/dbraw/zinc/76/17/86/534761786.db2.gz IRIGZANOBFROSP-YNEHKIRRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCN(C)CC[NH+]1CCC(C)CC1 ZINC000342741854 534768965 /nfs/dbraw/zinc/76/89/65/534768965.db2.gz XWNDGZYNJCGOSH-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000337492559 534780632 /nfs/dbraw/zinc/78/06/32/534780632.db2.gz XCLCJPBSZSVBEZ-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCC(=O)N(C)C)C1CC1 ZINC000178683690 534795612 /nfs/dbraw/zinc/79/56/12/534795612.db2.gz KQLYPOONHUBRLF-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1CCOC1)C1CC1 ZINC000120485858 534798315 /nfs/dbraw/zinc/79/83/15/534798315.db2.gz BUEMRCZKDWORHQ-DGCLKSJQSA-N 1 0 209.333 2.357 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](CCOC)C(C)(C)C ZINC000338361832 534806022 /nfs/dbraw/zinc/80/60/22/534806022.db2.gz RMRPGIFVGARLHC-QWHCGFSZSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000121030307 534816084 /nfs/dbraw/zinc/81/60/84/534816084.db2.gz BHDZJBMKJUBWGO-VXGBXAGGSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000120144951 534821708 /nfs/dbraw/zinc/82/17/08/534821708.db2.gz YMNGOYQUPAKCSX-STQMWFEESA-N 1 0 236.359 2.060 20 30 BEEDRO C=CCNC(=[NH2+])NC1CC(c2ccccc2)C1 ZINC000262129363 534843040 /nfs/dbraw/zinc/84/30/40/534843040.db2.gz NNGFZKQUSTVBEI-UHFFFAOYSA-N 1 0 229.327 2.023 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)c1c(C)cccc1C ZINC000355033283 534859597 /nfs/dbraw/zinc/85/95/97/534859597.db2.gz ISFGKIFFHNXZDT-CYBMUJFWSA-N 1 0 246.354 2.256 20 30 BEEDRO C=CCOCCC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000348056147 534873360 /nfs/dbraw/zinc/87/33/60/534873360.db2.gz QMLMUMGENIBVBO-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000348048013 534873579 /nfs/dbraw/zinc/87/35/79/534873579.db2.gz MNEBRWVGQHGDKU-LBPRGKRZSA-N 1 0 237.347 2.006 20 30 BEEDRO C=CCOCCC[N@@H+](CC)Cc1ccccn1 ZINC000348050564 534875007 /nfs/dbraw/zinc/87/50/07/534875007.db2.gz KQAKVOJFQXXZBJ-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)c1cncc(F)c1 ZINC000348045266 534875296 /nfs/dbraw/zinc/87/52/96/534875296.db2.gz HPGMCSJNJDTLEP-LLVKDONJSA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@@H](SC)C1 ZINC000339041607 534878019 /nfs/dbraw/zinc/87/80/19/534878019.db2.gz BMBQUCFZRWKPIH-GFCCVEGCSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CCOCC[N@@H+]1CCS[C@H](CC)C1 ZINC000339015345 534879183 /nfs/dbraw/zinc/87/91/83/534879183.db2.gz VWHUYAZVDDYISG-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C=CC[N@@H+](CCCSCCOC)C1CC1 ZINC000488111358 526275929 /nfs/dbraw/zinc/27/59/29/526275929.db2.gz GGWPJEZOEHTAFI-UHFFFAOYSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1COC(=O)NCCC ZINC000495837148 526454398 /nfs/dbraw/zinc/45/43/98/526454398.db2.gz NJIYIWFWIWPLLI-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC000479218060 526496568 /nfs/dbraw/zinc/49/65/68/526496568.db2.gz PBUZKNQERRLYMN-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCSCCOC ZINC000488287481 526501634 /nfs/dbraw/zinc/50/16/34/526501634.db2.gz BIHSPYNLNCAADZ-UHFFFAOYSA-N 1 0 217.378 2.264 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)NC1CCCCCC1 ZINC000481257764 526503320 /nfs/dbraw/zinc/50/33/20/526503320.db2.gz OCZFTZCISDBENO-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000496601082 526513027 /nfs/dbraw/zinc/51/30/27/526513027.db2.gz UUAZSPOVZKIFOH-QWRGUYRKSA-N 1 0 240.347 2.160 20 30 BEEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000497046626 526520090 /nfs/dbraw/zinc/52/00/90/526520090.db2.gz OQUVNJNZGYSWEI-GHMZBOCLSA-N 1 0 240.347 2.017 20 30 BEEDRO C=C(C)C[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000497040493 526606379 /nfs/dbraw/zinc/60/63/79/526606379.db2.gz QZUXLFFFQGAXJQ-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO CN1CC[C@@H]2CC[N@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000360676337 536463204 /nfs/dbraw/zinc/46/32/04/536463204.db2.gz ZQMQLHFNNODHLQ-ZIAGYGMSSA-N 1 0 249.402 2.342 20 30 BEEDRO C[NH2+]C[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000111027217 536465626 /nfs/dbraw/zinc/46/56/26/536465626.db2.gz IFSJYHVVYWPUFN-LLVKDONJSA-N 1 0 247.317 2.133 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCC2(CCCC2)O1 ZINC000491149170 526897063 /nfs/dbraw/zinc/89/70/63/526897063.db2.gz ZCTXPLCGQZTBRO-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000305724820 526930912 /nfs/dbraw/zinc/93/09/12/526930912.db2.gz GCFRNHQYTLAKAF-CQSZACIVSA-N 1 0 247.338 2.208 20 30 BEEDRO C#CC[N@H+]1CC[C@H](C(F)(F)F)C1(C)C ZINC000307030315 526957827 /nfs/dbraw/zinc/95/78/27/526957827.db2.gz DLAVWKSMORXXLI-QMMMGPOBSA-N 1 0 205.223 2.282 20 30 BEEDRO C#CC[NH2+][C@@H](C)CCCc1cccnc1 ZINC000491810918 527060433 /nfs/dbraw/zinc/06/04/33/527060433.db2.gz KLCMNSXBVNALLH-LBPRGKRZSA-N 1 0 202.301 2.016 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000173655178 527134312 /nfs/dbraw/zinc/13/43/12/527134312.db2.gz TZMZWTVKVJFVNB-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000459421493 527139368 /nfs/dbraw/zinc/13/93/68/527139368.db2.gz ZNAXRMIDJBOKPB-QCNOEVLYSA-N 1 0 229.389 2.450 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000302643722 527245514 /nfs/dbraw/zinc/24/55/14/527245514.db2.gz WVBCQOSALZMWEG-CPCZMJQVSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)C(C)C ZINC000301010577 527294706 /nfs/dbraw/zinc/29/47/06/527294706.db2.gz YTDPMXWRURKIAX-CHWSQXEVSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@@H]([NH2+]CC1(OC)CCCC1)C(C)C ZINC000308963158 527290395 /nfs/dbraw/zinc/29/03/95/527290395.db2.gz SSEMXVNFPFVJAI-GFCCVEGCSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)nc1)C(C)C ZINC000300940213 527291223 /nfs/dbraw/zinc/29/12/23/527291223.db2.gz ORHRJIGZRFACJF-CYBMUJFWSA-N 1 0 202.301 2.137 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000172625161 527323465 /nfs/dbraw/zinc/32/34/65/527323465.db2.gz VWMGBSAXKZJATF-NSHDSACASA-N 1 0 242.363 2.408 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCC(C(=O)OCC)CC1 ZINC000302643723 527361969 /nfs/dbraw/zinc/36/19/69/527361969.db2.gz WVBCQOSALZMWEG-OTTFEQOBSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCC(=C)C)c1ccc(F)cc1 ZINC000491754991 527377386 /nfs/dbraw/zinc/37/73/86/527377386.db2.gz XFPNSROBMWSHGJ-ZDUSSCGKSA-N 1 0 245.301 2.190 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)C(C)C ZINC000491705250 527409538 /nfs/dbraw/zinc/40/95/38/527409538.db2.gz LOITUBZZMJAOMO-HOTGVXAUSA-N 1 0 245.366 2.228 20 30 BEEDRO C#C[C@H]([NH2+]C1CCN(C(C)C)CC1)C(C)C ZINC000300862647 527409976 /nfs/dbraw/zinc/40/99/76/527409976.db2.gz GQTZJZIAWNEUAC-AWEZNQCLSA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CCOC1)C(C)(C)C ZINC000308919906 527413397 /nfs/dbraw/zinc/41/33/97/527413397.db2.gz BYVURPGCMSKZKK-WOPDTQHZSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000472930642 527457730 /nfs/dbraw/zinc/45/77/30/527457730.db2.gz FXWQOCXECGKERE-CHWSQXEVSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488069576 527575392 /nfs/dbraw/zinc/57/53/92/527575392.db2.gz UQLGGKGNOFRXMQ-UHFFFAOYSA-N 1 0 200.285 2.485 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cnc2n[nH]c(C)c2c1 ZINC000505908584 527643521 /nfs/dbraw/zinc/64/35/21/527643521.db2.gz XWKATBLRAOZLCM-UHFFFAOYSA-N 1 0 242.326 2.440 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+]CCC1(C#N)CCCCC1 ZINC000411499835 528481922 /nfs/dbraw/zinc/48/19/22/528481922.db2.gz DMGKCXUWSFUULP-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404001022 528884788 /nfs/dbraw/zinc/88/47/88/528884788.db2.gz NAXSSXLPKADANW-SNVBAGLBSA-N 1 0 236.290 2.212 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCNc1ccccn1 ZINC000268128205 535004611 /nfs/dbraw/zinc/00/46/11/535004611.db2.gz OOWZQFXXRZPYAG-UHFFFAOYSA-N 1 0 246.358 2.413 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCOCC1CC1 ZINC000164534052 535005148 /nfs/dbraw/zinc/00/51/48/535005148.db2.gz ZTMVHHBKDOZYAJ-UHFFFAOYSA-N 1 0 224.348 2.333 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C1CCC(O)CC1 ZINC000078052171 535005192 /nfs/dbraw/zinc/00/51/92/535005192.db2.gz QBCWWXSAJGXAGL-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)[N@H+](CCCSCC#N)[C@@H]1CCOC1 ZINC000361427625 535056216 /nfs/dbraw/zinc/05/62/16/535056216.db2.gz UTHZNSORPFNVEL-GFCCVEGCSA-N 1 0 242.388 2.133 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@H]1c2ccccc2O[C@@H]1C ZINC000262281897 535064993 /nfs/dbraw/zinc/06/49/93/535064993.db2.gz LDPSMSFOBQLZJM-ZWNOBZJWSA-N 1 0 247.342 2.069 20 30 BEEDRO CC(C)CNC(=[NH2+])N[C@@H]1c2ccccc2O[C@H]1C ZINC000262281894 535065141 /nfs/dbraw/zinc/06/51/41/535065141.db2.gz LDPSMSFOBQLZJM-GWCFXTLKSA-N 1 0 247.342 2.069 20 30 BEEDRO CC1(C)[C@H]([NH2+]CCCCC#N)[C@@H]2CCCO[C@@H]21 ZINC000181683163 535070248 /nfs/dbraw/zinc/07/02/48/535070248.db2.gz WVQLGGPUTOSIJC-XQQFMLRXSA-N 1 0 236.359 2.473 20 30 BEEDRO CC1(C)[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)[C@@H]2CCO[C@H]21 ZINC000248852716 535077247 /nfs/dbraw/zinc/07/72/47/535077247.db2.gz OXGLOPNCMZBJIH-MEBFFEOJSA-N 1 0 248.370 2.472 20 30 BEEDRO CC(C)[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)O ZINC000309371325 535128204 /nfs/dbraw/zinc/12/82/04/535128204.db2.gz QMCWMBNEZZFXMQ-SRVKXCTJSA-N 1 0 224.348 2.064 20 30 BEEDRO CCC([NH3+])(CC)CNc1ccc(C#N)c(C)n1 ZINC000261555269 535194802 /nfs/dbraw/zinc/19/48/02/535194802.db2.gz PRNVHTDMWAVCKK-UHFFFAOYSA-N 1 0 232.331 2.191 20 30 BEEDRO CC[NH+]=C(NCC1CC1)NC[C@H]1CC=CCC1 ZINC000176295536 535260891 /nfs/dbraw/zinc/26/08/91/535260891.db2.gz KORRCWKZJRKCST-LBPRGKRZSA-N 1 0 235.375 2.308 20 30 BEEDRO CC[NH+]=C(NCC1CC1)NC[C@@H]1CC=CCC1 ZINC000176295549 535261161 /nfs/dbraw/zinc/26/11/61/535261161.db2.gz KORRCWKZJRKCST-GFCCVEGCSA-N 1 0 235.375 2.308 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccccc1C ZINC000264098789 535261870 /nfs/dbraw/zinc/26/18/70/535261870.db2.gz MIQXGYOIGAWFQI-UHFFFAOYSA-N 1 0 219.332 2.199 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000267439684 535262201 /nfs/dbraw/zinc/26/22/01/535262201.db2.gz OTFPHERSAZQKCV-ZIAGYGMSSA-N 1 0 245.370 2.322 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(F)c(F)c1 ZINC000264113844 535262524 /nfs/dbraw/zinc/26/25/24/535262524.db2.gz PIQCZHCASWSVSY-UHFFFAOYSA-N 1 0 241.285 2.169 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000263109832 535277101 /nfs/dbraw/zinc/27/71/01/535277101.db2.gz KXRRTCXIFTYITP-AGIUHOORSA-N 1 0 237.391 2.325 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cc(F)ccc1F ZINC000128413621 535338303 /nfs/dbraw/zinc/33/83/03/535338303.db2.gz GHWIPQBAGFDZNG-UHFFFAOYSA-N 1 0 228.242 2.410 20 30 BEEDRO CC(C)=CCCNC(=[NH2+])Nc1ccccn1 ZINC000276684827 535345641 /nfs/dbraw/zinc/34/56/41/535345641.db2.gz UDWOCZWOGXQEGS-UHFFFAOYSA-N 1 0 218.304 2.165 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCc1ccsc1 ZINC000264128308 535385007 /nfs/dbraw/zinc/38/50/07/535385007.db2.gz WZYSAZQWOBPMIB-UHFFFAOYSA-N 1 0 225.361 2.199 20 30 BEEDRO CCNC(=[NH2+])NCc1ccc(C2CC2)cc1F ZINC000291878766 535423950 /nfs/dbraw/zinc/42/39/50/535423950.db2.gz IFJZMYTVDZOMFR-UHFFFAOYSA-N 1 0 235.306 2.127 20 30 BEEDRO CCOCC(C)(C)[NH2+]CCCSCC#N ZINC000339371937 535438683 /nfs/dbraw/zinc/43/86/83/535438683.db2.gz BIAIVBWPCHZTPJ-UHFFFAOYSA-N 1 0 230.377 2.038 20 30 BEEDRO CCOC[C@H](C)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336752140 535689712 /nfs/dbraw/zinc/68/97/12/535689712.db2.gz FVOPTLNUZTUZBG-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@@H](O)CCC[NH2+]Cc1cccc(C#N)c1 ZINC000344488548 535811062 /nfs/dbraw/zinc/81/10/62/535811062.db2.gz XRAMSEGNWZQMDH-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263078929 535821335 /nfs/dbraw/zinc/82/13/35/535821335.db2.gz HNMHYXJXAHPVGB-VXGBXAGGSA-N 1 0 225.380 2.292 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1CCCC(C)(C)C#N ZINC000087608502 535834880 /nfs/dbraw/zinc/83/48/80/535834880.db2.gz KDGRCDNRTVLRJI-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C#N)cc2F)C1 ZINC000336109394 535962802 /nfs/dbraw/zinc/96/28/02/535962802.db2.gz WHUBCYOCQMUEFZ-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC1C(C)(C)C1(C)C ZINC000262485478 536146154 /nfs/dbraw/zinc/14/61/54/536146154.db2.gz SKGSZJMQAGHTFY-QMMMGPOBSA-N 1 0 211.353 2.124 20 30 BEEDRO CN(CCC#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268587698 536301279 /nfs/dbraw/zinc/30/12/79/536301279.db2.gz TZMCTXPZWFOXLJ-HNNXBMFYSA-N 1 0 243.354 2.106 20 30 BEEDRO CNC(=[NH2+])NCc1ccccc1OC1CCCC1 ZINC000264132108 536305143 /nfs/dbraw/zinc/30/51/43/536305143.db2.gz UJUIKKXJNUFLHI-UHFFFAOYSA-N 1 0 247.342 2.042 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCC[C@@H]1O ZINC000305691143 536313875 /nfs/dbraw/zinc/31/38/75/536313875.db2.gz ROLNYPOWFVAVPF-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C[C@@H]1CCCC[C@H]1O ZINC000305797033 536314054 /nfs/dbraw/zinc/31/40/54/536314054.db2.gz FZCYXSGHSGAGAO-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[N@H+](CCCCC#N)C[C@H]1CCCC[C@@H]1O ZINC000181473721 536329342 /nfs/dbraw/zinc/32/93/42/536329342.db2.gz DITDZWVYEZBYJA-OLZOCXBDSA-N 1 0 224.348 2.163 20 30 BEEDRO C[NH2+][C@@H](C)CNc1cc(Cl)ccc1C#N ZINC000261538661 536344471 /nfs/dbraw/zinc/34/44/71/536344471.db2.gz YVUXPKHSBHYVHM-QMMMGPOBSA-N 1 0 223.707 2.231 20 30 BEEDRO C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2C#N)C1 ZINC000053204998 536366201 /nfs/dbraw/zinc/36/62/01/536366201.db2.gz QUQQUUDKAGJOEW-GFCCVEGCSA-N 1 0 249.745 2.400 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CCCSCC#N ZINC000309497517 536602197 /nfs/dbraw/zinc/60/21/97/536602197.db2.gz YVVSMBHKGBHAKC-VXGBXAGGSA-N 1 0 242.388 2.180 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000336092680 536750166 /nfs/dbraw/zinc/75/01/66/536750166.db2.gz BFVQTTOYHRCBPQ-AWEZNQCLSA-N 1 0 230.311 2.087 20 30 BEEDRO COCC1(C#N)CC[NH+](Cc2occc2C)CC1 ZINC000342839396 536801869 /nfs/dbraw/zinc/80/18/69/536801869.db2.gz MOIPLRXRYDCVDE-UHFFFAOYSA-N 1 0 248.326 2.340 20 30 BEEDRO COCC1(CC[NH2+][C@H]2CC[C@H](C#N)C2)CCC1 ZINC000340443041 536820402 /nfs/dbraw/zinc/82/04/02/536820402.db2.gz GANBJXOWOBZXAH-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO COC[C@@H](C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000170910875 536866590 /nfs/dbraw/zinc/86/65/90/536866590.db2.gz NLYSUVDZJDVPBL-JTQLQIEISA-N 1 0 249.358 2.313 20 30 BEEDRO COc1cnccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000339112878 537128209 /nfs/dbraw/zinc/12/82/09/537128209.db2.gz WGQGHDXIRBGDAU-QJPTWQEYSA-N 1 0 245.326 2.433 20 30 BEEDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CC#CCOC ZINC000389982232 566380633 /nfs/dbraw/zinc/38/06/33/566380633.db2.gz JTDKTBFJYORMNE-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO Cn1cc(C[NH2+]CCCCC#N)c(C2CC2)n1 ZINC000892929698 583010898 /nfs/dbraw/zinc/01/08/98/583010898.db2.gz JTSBEGWXAQIADU-UHFFFAOYSA-N 1 0 232.331 2.081 20 30 BEEDRO C[C@H](C#N)CNCc1cc(O)cc(Cl)c1 ZINC000893545711 583161305 /nfs/dbraw/zinc/16/13/05/583161305.db2.gz XAQZXOOSNNQBOM-MRVPVSSYSA-N 1 0 224.691 2.295 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C)cc(OC)c1O ZINC000893975642 583265002 /nfs/dbraw/zinc/26/50/02/583265002.db2.gz DTSXAMSBUHYKRX-UHFFFAOYSA-N 1 0 233.311 2.164 20 30 BEEDRO CCNC(NCc1cccc(OC)c1C)=[NH+]CC ZINC000853013496 588715633 /nfs/dbraw/zinc/71/56/33/588715633.db2.gz WVAJHDKJTRIGQJ-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO C#Cc1cccnc1NC1CC[NH+](C2CC2)CC1 ZINC000853123760 588721784 /nfs/dbraw/zinc/72/17/84/588721784.db2.gz BQIXBKVUIZZAAJ-UHFFFAOYSA-N 1 0 241.338 2.102 20 30 BEEDRO C#Cc1cccnc1NC[C@@H](CC(C)C)[NH+](C)C ZINC000853135618 588722229 /nfs/dbraw/zinc/72/22/29/588722229.db2.gz FECIKSITZGIGJB-CQSZACIVSA-N 1 0 245.370 2.451 20 30 BEEDRO C#Cc1cccnc1NCC1CC[NH+](CC)CC1 ZINC000853231926 588727977 /nfs/dbraw/zinc/72/79/77/588727977.db2.gz XJXUBVSQGGGJNM-UHFFFAOYSA-N 1 0 243.354 2.207 20 30 BEEDRO CO[C@H](C=[NH+]n1cnc2ccccc21)C1CC1 ZINC000853284335 588730499 /nfs/dbraw/zinc/73/04/99/588730499.db2.gz YOZTWONUIXXPDD-CYBMUJFWSA-N 1 0 229.283 2.295 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(Cl)cn2)C[N@@H+]1C ZINC000853437642 588742607 /nfs/dbraw/zinc/74/26/07/588742607.db2.gz QJPFYOBOICPJLI-MRVPVSSYSA-N 1 0 238.722 2.227 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cn2cc[nH]c2=S)C1 ZINC000853537389 588748003 /nfs/dbraw/zinc/74/80/03/588748003.db2.gz WSCKIKTZFOGIDG-LLVKDONJSA-N 1 0 237.372 2.417 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CN2CCSC2=O)C1 ZINC000853537497 588748149 /nfs/dbraw/zinc/74/81/49/588748149.db2.gz YUSFADCZMLVZDV-NSHDSACASA-N 1 0 240.372 2.401 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C[C@H](C)[C@H](C)C1=O ZINC000853598383 588750300 /nfs/dbraw/zinc/75/03/00/588750300.db2.gz QCURSOAXFTYIPR-XDQVBPFNSA-N 1 0 248.370 2.241 20 30 BEEDRO C#CCC[N@H+]1CC(C)(C)[C@H]1c1ccncc1 ZINC000854040400 588772409 /nfs/dbraw/zinc/77/24/09/588772409.db2.gz RUUXBSQKWUFPIP-CYBMUJFWSA-N 1 0 214.312 2.488 20 30 BEEDRO CCCCCCCC(=O)N1CC(C[NH+](C)C)C1 ZINC000854723147 588804087 /nfs/dbraw/zinc/80/40/87/588804087.db2.gz TWFGSNSTSKYSNH-UHFFFAOYSA-N 1 0 240.391 2.367 20 30 BEEDRO C#CCC[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000113272448 588828531 /nfs/dbraw/zinc/82/85/31/588828531.db2.gz HDECRLOSRWCFAJ-UHFFFAOYSA-N 1 0 248.757 2.485 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000890549136 582470658 /nfs/dbraw/zinc/47/06/58/582470658.db2.gz HSERSDXXSXTXCO-OCCSQVGLSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)C[C@@H](C)n1ccnc1 ZINC000890551231 582471116 /nfs/dbraw/zinc/47/11/16/582471116.db2.gz YNFBONMNWDZHNP-NEPJUHHUSA-N 1 0 233.315 2.011 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000890553536 582473134 /nfs/dbraw/zinc/47/31/34/582473134.db2.gz VUYROHHHNQXVQC-CQSZACIVSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000890555560 582475842 /nfs/dbraw/zinc/47/58/42/582475842.db2.gz AGUDHXHZQFTUNS-VXGBXAGGSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC000890557494 582477351 /nfs/dbraw/zinc/47/73/51/582477351.db2.gz AAWOZRAGQQYVGF-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CN[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000811651131 582481745 /nfs/dbraw/zinc/48/17/45/582481745.db2.gz HUGNTXGXVYOATO-UHFFFAOYSA-N 1 0 235.306 2.391 20 30 BEEDRO C[C@@H]1CC(=NOC/C=C\Cl)CC[N@@H+]1C ZINC000811669745 582487862 /nfs/dbraw/zinc/48/78/62/582487862.db2.gz UAUAKBYUAKPQQU-CNFAGMPCSA-N 1 0 216.712 2.226 20 30 BEEDRO C[C@H]1CC(=NOC2CCC2)C[N@@H+]1C1CC1 ZINC000812237871 582498473 /nfs/dbraw/zinc/49/84/73/582498473.db2.gz GPFRHCRZFPYFFD-VIFPVBQESA-N 1 0 208.305 2.168 20 30 BEEDRO C=CCCCN(CC)C(=O)C[N@H+](C)C(C)C ZINC000890814325 582574760 /nfs/dbraw/zinc/57/47/60/582574760.db2.gz OUGRVQCPBCYRAS-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO CC[NH+]1CCN(c2cc(C)cc(F)c2C#N)CC1 ZINC000891392496 582676501 /nfs/dbraw/zinc/67/65/01/582676501.db2.gz HMWVPSGLLOMUCH-UHFFFAOYSA-N 1 0 247.317 2.148 20 30 BEEDRO C[C@H](C#N)CN(C)Cc1cccc2[nH]c(=O)oc21 ZINC000891716310 582713634 /nfs/dbraw/zinc/71/36/34/582713634.db2.gz NYKMEMAFUHZJFP-SECBINFHSA-N 1 0 245.282 2.125 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1C[C@@]1(C)Br ZINC000891805216 582724535 /nfs/dbraw/zinc/72/45/35/582724535.db2.gz FOXDZTAECIQQJI-VHSXEESVSA-N 1 0 230.149 2.115 20 30 BEEDRO C#CC[N@@H+](CC)Cc1nccc2c1CCCC2 ZINC000891805046 582724690 /nfs/dbraw/zinc/72/46/90/582724690.db2.gz CORWTUJHXGHQFZ-UHFFFAOYSA-N 1 0 228.339 2.416 20 30 BEEDRO COC1CCC(C[N@H+](C)[C@H](C)CC#N)CC1 ZINC000891933888 582741140 /nfs/dbraw/zinc/74/11/40/582741140.db2.gz NVYXVWKKVOGUDI-PNESKVBLSA-N 1 0 224.348 2.426 20 30 BEEDRO C#CC[NH+](CC#C)CC1(CCCOC)CCC1 ZINC000892058893 582779009 /nfs/dbraw/zinc/77/90/09/582779009.db2.gz LZIPONGKPLEKRS-UHFFFAOYSA-N 1 0 233.355 2.152 20 30 BEEDRO C=CCC1(NC(=O)C(=C)C[NH+](C)C)CCCC1 ZINC000855927863 588854321 /nfs/dbraw/zinc/85/43/21/588854321.db2.gz CIRASQKSEDYOPT-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO CCCCNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028885 582832250 /nfs/dbraw/zinc/83/22/50/582832250.db2.gz KVVBQFLXWKFMOX-UHFFFAOYSA-N 1 0 224.352 2.230 20 30 BEEDRO COc1cc(C[NH2+][C@@H]2C=CCC2)ccc1C#N ZINC000829348307 582855999 /nfs/dbraw/zinc/85/59/99/582855999.db2.gz RUCHENZUZWUBPJ-CYBMUJFWSA-N 1 0 228.295 2.375 20 30 BEEDRO C=C[C@H](C)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000781573679 582859272 /nfs/dbraw/zinc/85/92/72/582859272.db2.gz JBLWRYRBPXJLFI-QWRGUYRKSA-N 1 0 213.321 2.225 20 30 BEEDRO C=C[C@@H](C)OC(=O)[C@@H](CC)[NH+](CC)CC ZINC000781573677 582859502 /nfs/dbraw/zinc/85/95/02/582859502.db2.gz JBLWRYRBPXJLFI-GHMZBOCLSA-N 1 0 213.321 2.225 20 30 BEEDRO Cc1cc(C#N)nc(NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000892421223 582883062 /nfs/dbraw/zinc/88/30/62/582883062.db2.gz GUJROIXDSCBFDP-LBPRGKRZSA-N 1 0 244.342 2.015 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)COC(C)=O ZINC000892453695 582890322 /nfs/dbraw/zinc/89/03/22/582890322.db2.gz JKNQQWYLGDFCAT-NSHDSACASA-N 1 0 215.337 2.498 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)COC(C)=O ZINC000892453694 582890503 /nfs/dbraw/zinc/89/05/03/582890503.db2.gz JKNQQWYLGDFCAT-LLVKDONJSA-N 1 0 215.337 2.498 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC000856198997 588864596 /nfs/dbraw/zinc/86/45/96/588864596.db2.gz HUUFXQAEIQGQTJ-BETUJISGSA-N 1 0 248.370 2.180 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000851929767 582980600 /nfs/dbraw/zinc/98/06/00/582980600.db2.gz FIZNCGZVOLEWKS-GFCCVEGCSA-N 1 0 246.358 2.069 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000852103194 583000804 /nfs/dbraw/zinc/00/08/04/583000804.db2.gz ACBQFEQABKCURA-AWEZNQCLSA-N 1 0 231.343 2.039 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000852103195 583001063 /nfs/dbraw/zinc/00/10/63/583001063.db2.gz ACBQFEQABKCURA-CQSZACIVSA-N 1 0 231.343 2.039 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC1CC(OCC)C1 ZINC000852103686 583001695 /nfs/dbraw/zinc/00/16/95/583001695.db2.gz OWXBESKOHGJTPK-BPCQOVAHSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@](C)(CC)NCc1nc(C)oc1C ZINC000852104018 583003051 /nfs/dbraw/zinc/00/30/51/583003051.db2.gz YOFVJHFTOFDGHM-LBPRGKRZSA-N 1 0 206.289 2.183 20 30 BEEDRO Cc1cc(F)ncc1C[NH2+]CCCCC#N ZINC000892930424 583011227 /nfs/dbraw/zinc/01/12/27/583011227.db2.gz XFWKUMVZDQLAQI-UHFFFAOYSA-N 1 0 221.279 2.313 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000852411766 583013690 /nfs/dbraw/zinc/01/36/90/583013690.db2.gz VJFHUSBJRYDLSQ-QWHCGFSZSA-N 1 0 237.343 2.228 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(OCC)o1 ZINC000892994460 583026217 /nfs/dbraw/zinc/02/62/17/583026217.db2.gz XJSHJIUERDZWKA-UHFFFAOYSA-N 1 0 239.340 2.134 20 30 BEEDRO CCCCCCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000114521891 588874881 /nfs/dbraw/zinc/87/48/81/588874881.db2.gz OQHDQGSOJAPZNP-GFCCVEGCSA-N 1 0 226.364 2.200 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000856745182 588875035 /nfs/dbraw/zinc/87/50/35/588875035.db2.gz OJAHIPXMXRIANR-WDEREUQCSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000856745179 588875107 /nfs/dbraw/zinc/87/51/07/588875107.db2.gz OJAHIPXMXRIANR-GHMZBOCLSA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000114576375 588876160 /nfs/dbraw/zinc/87/61/60/588876160.db2.gz BPEUOJVUUDAWKH-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1nc(C)c(C)s1 ZINC000893282048 583084214 /nfs/dbraw/zinc/08/42/14/583084214.db2.gz BRTQEZLKNVGBPA-NSHDSACASA-N 1 0 240.372 2.034 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775340535 583086841 /nfs/dbraw/zinc/08/68/41/583086841.db2.gz HBTRFFZJOWNITF-CABCVRRESA-N 1 0 229.323 2.265 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(C)nc1Cl ZINC000856789735 588877755 /nfs/dbraw/zinc/87/77/55/588877755.db2.gz JXJUCOGZJWAGOP-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1CCNCC#Cc1ccccc1 ZINC000893356535 583121527 /nfs/dbraw/zinc/12/15/27/583121527.db2.gz MMSMJCPUOHJBNM-OAHLLOKOSA-N 1 0 242.366 2.112 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H]2CCC[C@H](C)C2)CC1 ZINC000776592519 583125234 /nfs/dbraw/zinc/12/52/34/583125234.db2.gz IMSFEAFSPXEKRU-JKSUJKDBSA-N 1 0 248.414 2.454 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)[C@@H]1COc2ccccc2C1 ZINC000893544465 583160370 /nfs/dbraw/zinc/16/03/70/583160370.db2.gz LKNUWPLMMKHIDY-DYEKYZERSA-N 1 0 244.338 2.375 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1CCC(OC)CC1 ZINC000893607577 583172623 /nfs/dbraw/zinc/17/26/23/583172623.db2.gz YCYXXYIJLSYYTD-OTTFEQOBSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1csc(C#N)c1 ZINC000893668725 583191997 /nfs/dbraw/zinc/19/19/97/583191997.db2.gz HIEFZTRFUPQHKD-QWRGUYRKSA-N 1 0 249.383 2.144 20 30 BEEDRO C[C@@H]1CN(Cc2csc(C#N)c2)[C@@H](C)C[N@@H+]1C ZINC000893670046 583192322 /nfs/dbraw/zinc/19/23/22/583192322.db2.gz YBAYPKAPNLGDFH-MNOVXSKESA-N 1 0 249.383 2.144 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cncc(OCC)c1)C(C)C ZINC000857045703 588883922 /nfs/dbraw/zinc/88/39/22/588883922.db2.gz UJWURHMFLSVCSU-CQSZACIVSA-N 1 0 232.327 2.228 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)cc1 ZINC000840978428 583213973 /nfs/dbraw/zinc/21/39/73/583213973.db2.gz NUVBIGFDVQMOIN-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C=CCN(CC=C)Cc1c(C)ccnc1N ZINC000893871917 583237017 /nfs/dbraw/zinc/23/70/17/583237017.db2.gz NRDMKHQYSFWKIE-UHFFFAOYSA-N 1 0 217.316 2.146 20 30 BEEDRO Cc1ncoc1CN(CCC#N)CC(C)C ZINC000893883220 583241091 /nfs/dbraw/zinc/24/10/91/583241091.db2.gz WMYYNDFIZUVCIX-UHFFFAOYSA-N 1 0 221.304 2.355 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893930287 583250395 /nfs/dbraw/zinc/25/03/95/583250395.db2.gz XLGCRICNENVORE-NEPJUHHUSA-N 1 0 243.322 2.128 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1CCC(OC)CC1 ZINC000893992227 583267377 /nfs/dbraw/zinc/26/73/77/583267377.db2.gz KGTZXULFEZDTRN-UHFFFAOYSA-N 1 0 241.375 2.326 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cnn(C2CCC2)c1 ZINC000894060131 583291728 /nfs/dbraw/zinc/29/17/28/583291728.db2.gz OQWVANQJUDSYTK-NSHDSACASA-N 1 0 217.316 2.062 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cc(C)cnc1Cl ZINC000894060168 583291765 /nfs/dbraw/zinc/29/17/65/583291765.db2.gz PLKHSCCEABGCGD-JTQLQIEISA-N 1 0 222.719 2.497 20 30 BEEDRO C=CCCC[NH2+]Cc1cnn(C)c1C1CC1 ZINC000894119964 583310564 /nfs/dbraw/zinc/31/05/64/583310564.db2.gz JTWXNOITQLTQRI-UHFFFAOYSA-N 1 0 219.332 2.353 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CC[P@@](C)(=O)OCC ZINC000877513584 583320632 /nfs/dbraw/zinc/32/06/32/583320632.db2.gz AVMOEKDWJRTWMF-RWSFTLGLSA-N 1 0 231.276 2.321 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000877514666 583321056 /nfs/dbraw/zinc/32/10/56/583321056.db2.gz SNCJLWIUFXGXEN-UONOGXRCSA-N 1 0 228.339 2.124 20 30 BEEDRO OC[C@H](CC1CCC1)[NH2+]CC#Cc1ccccc1 ZINC000894167642 583324373 /nfs/dbraw/zinc/32/43/73/583324373.db2.gz PARUUUTWRNWFDV-INIZCTEOSA-N 1 0 243.350 2.179 20 30 BEEDRO COC1CCC(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000894197488 583335814 /nfs/dbraw/zinc/33/58/14/583335814.db2.gz KGBIXIXMJYHMIJ-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]1CC(=NOCCC2CC2)CC[N@@H+]1C ZINC000814245805 583351191 /nfs/dbraw/zinc/35/11/91/583351191.db2.gz IVQLBRUXWVSUBQ-JTQLQIEISA-N 1 0 210.321 2.273 20 30 BEEDRO C[C@@H]1CC(=NOCCC2CC2)CC[N@@H+]1C ZINC000814245806 583351580 /nfs/dbraw/zinc/35/15/80/583351580.db2.gz IVQLBRUXWVSUBQ-SNVBAGLBSA-N 1 0 210.321 2.273 20 30 BEEDRO C=C(C)C[N@H+](CC)CCc1ccc(C(N)=O)cc1 ZINC000877936500 583355191 /nfs/dbraw/zinc/35/51/91/583355191.db2.gz WLAXHBMYBCKDLC-UHFFFAOYSA-N 1 0 246.354 2.226 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2CC3(CCC3)CO2)CC1 ZINC000878016376 583357294 /nfs/dbraw/zinc/35/72/94/583357294.db2.gz LJYJIYKYXJFQCH-ZDUSSCGKSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(c2cncc(F)c2)CC1 ZINC000878315554 583369804 /nfs/dbraw/zinc/36/98/04/583369804.db2.gz RCOBTQXXTQRVNX-LBPRGKRZSA-N 1 0 249.333 2.307 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000878406959 583372608 /nfs/dbraw/zinc/37/26/08/583372608.db2.gz HLUMSNSJDYOPKA-OLZOCXBDSA-N 1 0 239.359 2.426 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000878411022 583372883 /nfs/dbraw/zinc/37/28/83/583372883.db2.gz FFGFYUUNRRARSA-WCQYABFASA-N 1 0 238.375 2.365 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894313026 583420305 /nfs/dbraw/zinc/42/03/05/583420305.db2.gz QGNUZQLXAJVJCN-UHFFFAOYSA-N 1 0 233.311 2.212 20 30 BEEDRO C#C[C@@H](C)NC1CC[NH+](CCC(C)C)CC1 ZINC000894383457 583442525 /nfs/dbraw/zinc/44/25/25/583442525.db2.gz LNEWFXVNVBGSJW-CYBMUJFWSA-N 1 0 222.376 2.108 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnn(C)c1C1CC1)C(C)C ZINC000894387765 583444210 /nfs/dbraw/zinc/44/42/10/583444210.db2.gz VHJRYDSOFSUCLD-CYBMUJFWSA-N 1 0 231.343 2.045 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1C1CCC1)C(C)C ZINC000894388051 583445174 /nfs/dbraw/zinc/44/51/74/583445174.db2.gz ZFOBXJNSKWKATF-AWEZNQCLSA-N 1 0 231.343 2.356 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2oc(=O)oc2c1 ZINC000894494263 583473498 /nfs/dbraw/zinc/47/34/98/583473498.db2.gz HHEFDCGPZFAFJD-UHFFFAOYSA-N 1 0 219.240 2.004 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894534820 583478547 /nfs/dbraw/zinc/47/85/47/583478547.db2.gz PEHPZYOPQHILDH-UHFFFAOYSA-N 1 0 217.272 2.197 20 30 BEEDRO CC[C@H]([NH2+]Cc1c(C)cc(C#N)cc1C)[C@H](C)O ZINC000894734933 583514206 /nfs/dbraw/zinc/51/42/06/583514206.db2.gz MFVUSMCGTHQLEQ-WFASDCNBSA-N 1 0 246.354 2.424 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894737733 583514847 /nfs/dbraw/zinc/51/48/47/583514847.db2.gz FWNBPGBBFRZBAZ-NSHDSACASA-N 1 0 229.283 2.033 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(OCC)o1 ZINC000894769469 583516585 /nfs/dbraw/zinc/51/65/85/583516585.db2.gz MWBNSLDPPWHJDC-NSHDSACASA-N 1 0 239.315 2.095 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1nnc(C)[nH]1 ZINC000894772183 583516898 /nfs/dbraw/zinc/51/68/98/583516898.db2.gz HAIFPUPJXSNEJG-LPEHRKFASA-N 1 0 222.336 2.364 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)c1nnc(C)[nH]1 ZINC000894773143 583517892 /nfs/dbraw/zinc/51/78/92/583517892.db2.gz DHKZOFKBRLPQDR-NSHDSACASA-N 1 0 234.347 2.347 20 30 BEEDRO Cc1ncoc1C[NH2+]CC(C)(C)CCC#N ZINC000894780421 583520741 /nfs/dbraw/zinc/52/07/41/583520741.db2.gz CUOVZCMPBJFELK-UHFFFAOYSA-N 1 0 221.304 2.403 20 30 BEEDRO CCCCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000115548850 588908865 /nfs/dbraw/zinc/90/88/65/588908865.db2.gz GHDDCHICRZLWGR-ZIAGYGMSSA-N 1 0 224.392 2.498 20 30 BEEDRO CCCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000115548858 588908874 /nfs/dbraw/zinc/90/88/74/588908874.db2.gz NWQVVCMURYBWES-CHWSQXEVSA-N 1 0 210.365 2.108 20 30 BEEDRO C[C@H](NN=C1CC[N@H+](C)[C@H](C)C1)C(C)(C)C ZINC000793114629 583553451 /nfs/dbraw/zinc/55/34/51/583553451.db2.gz IDBKZUTZOLQRAW-MNOVXSKESA-N 1 0 225.380 2.481 20 30 BEEDRO OC[C@@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000894945407 583557318 /nfs/dbraw/zinc/55/73/18/583557318.db2.gz XKMZCHKINRLIER-CVEARBPZSA-N 1 0 243.350 2.179 20 30 BEEDRO OC[C@H]1CCC[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000894945409 583557592 /nfs/dbraw/zinc/55/75/92/583557592.db2.gz XKMZCHKINRLIER-HOTGVXAUSA-N 1 0 243.350 2.179 20 30 BEEDRO COC1CCC(C[NH2+]CC2(C#N)CCC2)CC1 ZINC000894967183 583560008 /nfs/dbraw/zinc/56/00/08/583560008.db2.gz QSBGETCWNWBMFV-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857853724 588913040 /nfs/dbraw/zinc/91/30/40/588913040.db2.gz VPGGLZKZMLNVAM-LLVKDONJSA-N 1 0 218.304 2.071 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857857823 588914104 /nfs/dbraw/zinc/91/41/04/588914104.db2.gz IKHUBVXQAHNXSH-GFCCVEGCSA-N 1 0 217.316 2.180 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(C)c1 ZINC000895103420 583589055 /nfs/dbraw/zinc/58/90/55/583589055.db2.gz UHJGMCMRLSVFAT-HOCLYGCPSA-N 1 0 245.366 2.290 20 30 BEEDRO CC(C)CCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000895105713 583590033 /nfs/dbraw/zinc/59/00/33/583590033.db2.gz BVIKRNDCZGHPRB-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](CC)C(=O)OC ZINC000895128803 583600188 /nfs/dbraw/zinc/60/01/88/583600188.db2.gz XFEPWSKEVLCHFV-QWRGUYRKSA-N 1 0 213.321 2.130 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000895131562 583601129 /nfs/dbraw/zinc/60/11/29/583601129.db2.gz JFFDNXZNWXWGII-LSDHHAIUSA-N 1 0 243.350 2.080 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCCC[C@@H]1CO ZINC000895149725 583606146 /nfs/dbraw/zinc/60/61/46/583606146.db2.gz AMXZSLVTCIOCIU-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCCC[C@@H]2CO)cc1 ZINC000895151184 583606466 /nfs/dbraw/zinc/60/64/66/583606466.db2.gz QTTGNLZDQMYVIE-MRXNPFEDSA-N 1 0 243.350 2.405 20 30 BEEDRO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160916 583609724 /nfs/dbraw/zinc/60/97/24/583609724.db2.gz PVOJPPSMLFRCSI-TUAOUCFPSA-N 1 0 242.363 2.171 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H]1CCCN(O)C1=O ZINC000895161897 583610426 /nfs/dbraw/zinc/61/04/26/583610426.db2.gz VKJKHMMMAKLYIT-NEPJUHHUSA-N 1 0 240.347 2.091 20 30 BEEDRO O=C1[C@@H]([NH2+]C2CCCCCCC2)CCCN1O ZINC000895162588 583610713 /nfs/dbraw/zinc/61/07/13/583610713.db2.gz MVDNQUSAXGADJU-LBPRGKRZSA-N 1 0 240.347 2.069 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857869449 588916751 /nfs/dbraw/zinc/91/67/51/588916751.db2.gz OLQJSMQHFKHTFK-AGIUHOORSA-N 1 0 247.342 2.110 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cnn(C3CCC3)c2)C1 ZINC000895203620 583624461 /nfs/dbraw/zinc/62/44/61/583624461.db2.gz RZODWYQXYAFAHH-CYBMUJFWSA-N 1 0 243.354 2.453 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)COC(C)=O ZINC000895208976 583626179 /nfs/dbraw/zinc/62/61/79/583626179.db2.gz PGDHCCOKNDKZFO-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO C#Cc1ccc(CNCC[C@H](C)[NH+](C)C)cc1 ZINC000895291744 583636955 /nfs/dbraw/zinc/63/69/55/583636955.db2.gz CINORUDQGPHUOL-ZDUSSCGKSA-N 1 0 230.355 2.098 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC(C)=NO2)C1 ZINC000895300614 583642341 /nfs/dbraw/zinc/64/23/41/583642341.db2.gz OQYAZBDXIPIGTH-AGIUHOORSA-N 1 0 222.332 2.486 20 30 BEEDRO CCn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)c(C)n1 ZINC000895313510 583648509 /nfs/dbraw/zinc/64/85/09/583648509.db2.gz IHHURNKFWQEZQK-ZDUSSCGKSA-N 1 0 246.358 2.337 20 30 BEEDRO COCCCO[NH+]=Cc1ccc2c(c1)CCN2C ZINC000795051374 583655197 /nfs/dbraw/zinc/65/51/97/583655197.db2.gz QQLLODUHFSKFTI-UHFFFAOYSA-N 1 0 248.326 2.066 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2cccc(C)c2C)CC1 ZINC000895381014 583662531 /nfs/dbraw/zinc/66/25/31/583662531.db2.gz VYAXDSVDVJDJLU-UHFFFAOYSA-N 1 0 243.350 2.264 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000895434313 583672664 /nfs/dbraw/zinc/67/26/64/583672664.db2.gz UVMBANUJFIALDV-GHMZBOCLSA-N 1 0 218.325 2.462 20 30 BEEDRO COC1CCC(C[N@@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000895450286 583676036 /nfs/dbraw/zinc/67/60/36/583676036.db2.gz FCFJOZRSUYJVLD-RUXDESIVSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)C1CCC(F)(F)CC1 ZINC000895490834 583680901 /nfs/dbraw/zinc/68/09/01/583680901.db2.gz TXYWYKISKOYLCX-CMPLNLGQSA-N 1 0 245.313 2.174 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccns1 ZINC000895528973 583685301 /nfs/dbraw/zinc/68/53/01/583685301.db2.gz DTEGRIVKDUYCBM-JTQLQIEISA-N 1 0 223.345 2.215 20 30 BEEDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000895533800 583685982 /nfs/dbraw/zinc/68/59/82/583685982.db2.gz CWWZPSALTHCJKS-AWEZNQCLSA-N 1 0 229.327 2.479 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c3c(nn2C)CCC3)C1 ZINC000895561551 583691193 /nfs/dbraw/zinc/69/11/93/583691193.db2.gz ZWMUUKXGOAYXRI-LBPRGKRZSA-N 1 0 245.370 2.307 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)COC(C)=O ZINC000895561796 583691631 /nfs/dbraw/zinc/69/16/31/583691631.db2.gz UNCRDDRTEIRQBJ-JTQLQIEISA-N 1 0 213.321 2.130 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895562086 583691645 /nfs/dbraw/zinc/69/16/45/583691645.db2.gz YFRUAPOBORTNOK-YNEHKIRRSA-N 1 0 241.375 2.371 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000895562398 583691671 /nfs/dbraw/zinc/69/16/71/583691671.db2.gz GDOAJQUSVWXXPT-GFCCVEGCSA-N 1 0 243.354 2.143 20 30 BEEDRO C#CCC1(O)CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000895674833 583704225 /nfs/dbraw/zinc/70/42/25/583704225.db2.gz FXSQYIDWKWAUTA-UHFFFAOYSA-N 1 0 248.370 2.167 20 30 BEEDRO C#CC1([NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000895675211 583704322 /nfs/dbraw/zinc/70/43/22/583704322.db2.gz NQWNKGTWERLKQU-GFCCVEGCSA-N 1 0 204.317 2.462 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000895712590 583710998 /nfs/dbraw/zinc/71/09/98/583710998.db2.gz AHJNQMSKWLQKLU-MWLCHTKSSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000895713949 583711272 /nfs/dbraw/zinc/71/12/72/583711272.db2.gz XAJQTXZYENZSNC-GXTWGEPZSA-N 1 0 249.354 2.240 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]CC1Cc2ccccc2C1 ZINC000895713029 583711444 /nfs/dbraw/zinc/71/14/44/583711444.db2.gz IBRLCUWJBJOAOD-MRXNPFEDSA-N 1 0 245.366 2.318 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000895791343 583728089 /nfs/dbraw/zinc/72/80/89/583728089.db2.gz RAXWPDQJGPOIQS-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000895791342 583728361 /nfs/dbraw/zinc/72/83/61/583728361.db2.gz RAXWPDQJGPOIQS-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C(OC)OC ZINC000895792465 583728567 /nfs/dbraw/zinc/72/85/67/583728567.db2.gz DJFVZTUDYBJUSQ-DCAQKATOSA-N 1 0 215.337 2.184 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895781369 583728827 /nfs/dbraw/zinc/72/88/27/583728827.db2.gz QNHDDWSARCNAJV-QLFBSQMISA-N 1 0 235.371 2.273 20 30 BEEDRO C#CC[N@@H+](Cc1cc(C)ccc1O)C1CSC1 ZINC000895814737 583734038 /nfs/dbraw/zinc/73/40/38/583734038.db2.gz XWBLZVLQLCSXAN-UHFFFAOYSA-N 1 0 247.363 2.251 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccoc2C)CC1 ZINC000895834849 583735320 /nfs/dbraw/zinc/73/53/20/583735320.db2.gz SKGDHMPXNRNXSV-UHFFFAOYSA-N 1 0 235.327 2.491 20 30 BEEDRO C=CCC1(O)CC[NH+](C[C@@](C)(CC)OC)CC1 ZINC000895835007 583735784 /nfs/dbraw/zinc/73/57/84/583735784.db2.gz WAWSKXHMJVQUIY-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO CC(C)CCCC[NH+]1CCN(CCC#N)CC1 ZINC000895846146 583736011 /nfs/dbraw/zinc/73/60/11/583736011.db2.gz USLZJFKIKNHJPC-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](C)CCC#N)CCOCC1 ZINC000895894692 583740971 /nfs/dbraw/zinc/74/09/71/583740971.db2.gz OONBNDHUOHYPOI-ZDUSSCGKSA-N 1 0 234.343 2.088 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000895924483 583747372 /nfs/dbraw/zinc/74/73/72/583747372.db2.gz VRQRUZBNBDQIHD-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](C)CCC#N)C1 ZINC000895926717 583748837 /nfs/dbraw/zinc/74/88/37/583748837.db2.gz JQWKASHJKFWNGO-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(C(C)(C)C)oc1C ZINC000895962644 583751611 /nfs/dbraw/zinc/75/16/11/583751611.db2.gz AAHUTMBNAUBANY-ZDUSSCGKSA-N 1 0 249.354 2.359 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000883390280 583790380 /nfs/dbraw/zinc/79/03/80/583790380.db2.gz IXFGVRYTTSIDAO-WCQYABFASA-N 1 0 249.358 2.071 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccnc1 ZINC000883390822 583790606 /nfs/dbraw/zinc/79/06/06/583790606.db2.gz VNNOFYNMJBUYCA-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000883401776 583798405 /nfs/dbraw/zinc/79/84/05/583798405.db2.gz YAYMJFNKIZXAPU-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CCC[C@H](C#N)C1)OC ZINC000896503573 583807733 /nfs/dbraw/zinc/80/77/33/583807733.db2.gz LDCSOANWXBZXNJ-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CCC[C@@H](C#N)C1)OC ZINC000896503575 583807823 /nfs/dbraw/zinc/80/78/23/583807823.db2.gz LDCSOANWXBZXNJ-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000896611303 583817464 /nfs/dbraw/zinc/81/74/64/583817464.db2.gz WTXTXQFPDLDTST-WDEREUQCSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCn2cccc2C1 ZINC000896760705 583831131 /nfs/dbraw/zinc/83/11/31/583831131.db2.gz DTKOBIWSAZYWQY-GFCCVEGCSA-N 1 0 217.316 2.244 20 30 BEEDRO C#CCCCC[NH2+]Cc1cccc2n[nH]cc21 ZINC000858150509 588935840 /nfs/dbraw/zinc/93/58/40/588935840.db2.gz YPTNSOAIAAQCJX-UHFFFAOYSA-N 1 0 227.311 2.456 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccnc(F)c1 ZINC000858178356 588937111 /nfs/dbraw/zinc/93/71/11/588937111.db2.gz VSUAAZAMJWPHHX-UHFFFAOYSA-N 1 0 221.279 2.250 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@]1(C)CCCCO1 ZINC000896924043 583858869 /nfs/dbraw/zinc/85/88/69/583858869.db2.gz JQMMVDVDNCKXBD-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CCS1 ZINC000896952761 583864113 /nfs/dbraw/zinc/86/41/13/583864113.db2.gz QEELSRUCFIMXRK-QWRGUYRKSA-N 1 0 247.367 2.327 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000897167680 583886998 /nfs/dbraw/zinc/88/69/98/583886998.db2.gz OWLYFIVSIVIRNE-UHFFFAOYSA-N 1 0 228.295 2.022 20 30 BEEDRO C#CC[N@@H+](CC1(COC)CCC1)C(C)C ZINC000897171397 583889166 /nfs/dbraw/zinc/88/91/66/583889166.db2.gz XUSZPBFFBUEUNQ-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO CCn1cnc2c1CC[N@H+](C[C@@H](C)CCC#N)C2 ZINC000897334292 583924441 /nfs/dbraw/zinc/92/44/41/583924441.db2.gz QILJSQRGKRQJJM-LBPRGKRZSA-N 1 0 246.358 2.201 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccc(F)c1 ZINC000858332207 588946119 /nfs/dbraw/zinc/94/61/19/588946119.db2.gz QFQFFKWNYGEJFP-AWEZNQCLSA-N 1 0 235.302 2.344 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CC(F)(F)C1)[C@@H]1CCCO1 ZINC000862332114 583961368 /nfs/dbraw/zinc/96/13/68/583961368.db2.gz RRPNRPRTFSOKCH-USWWRNFRSA-N 1 0 243.297 2.191 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC000862445363 583962762 /nfs/dbraw/zinc/96/27/62/583962762.db2.gz RMINZPKXRYLHEN-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccccc1OC ZINC000858331585 588946193 /nfs/dbraw/zinc/94/61/93/588946193.db2.gz FNALQBSBPULPQA-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccc(C#N)c1 ZINC000858333250 588946561 /nfs/dbraw/zinc/94/65/61/588946561.db2.gz AEZGNVAGFPSXRN-HNNXBMFYSA-N 1 0 242.322 2.076 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000858334990 588946869 /nfs/dbraw/zinc/94/68/69/588946869.db2.gz JZFSXXVSKWEATL-ZDTYVGOBSA-N 1 0 247.313 2.467 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000858334988 588947333 /nfs/dbraw/zinc/94/73/33/588947333.db2.gz JZFSXXVSKWEATL-DRDHIDPGSA-N 1 0 247.313 2.467 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCC[C@H]2O)C1 ZINC000897536323 584009523 /nfs/dbraw/zinc/00/95/23/584009523.db2.gz HIVSMGWWIGIQFX-RFQIPJPRSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC[C@H]2CCCC[C@H]2O)C1 ZINC000897536322 584009927 /nfs/dbraw/zinc/00/99/27/584009927.db2.gz HIVSMGWWIGIQFX-REWJHTLYSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C(CC)CC ZINC000729809054 584026079 /nfs/dbraw/zinc/02/60/79/584026079.db2.gz IMCLVZRITNJZKS-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1 ZINC000865689865 584026641 /nfs/dbraw/zinc/02/66/41/584026641.db2.gz QPUUEBSZJQEBSQ-SLEUVZQESA-N 1 0 229.323 2.323 20 30 BEEDRO C=CCOc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897685139 584040219 /nfs/dbraw/zinc/04/02/19/584040219.db2.gz DQQPJDUQCAOHQE-WFASDCNBSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897819443 584051548 /nfs/dbraw/zinc/05/15/48/584051548.db2.gz RWGAZYJUIWEDLY-OSBMCDJTSA-N 1 0 221.344 2.353 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC12CC(O)C2 ZINC000897848433 584053893 /nfs/dbraw/zinc/05/38/93/584053893.db2.gz LJLMMMKLJUAHBJ-QTGKYELZSA-N 1 0 209.333 2.090 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC12CC(O)C2 ZINC000897848436 584053895 /nfs/dbraw/zinc/05/38/95/584053895.db2.gz LJLMMMKLJUAHBJ-ZTXIBQBTSA-N 1 0 209.333 2.090 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CC12CC(O)C2 ZINC000897848125 584053967 /nfs/dbraw/zinc/05/39/67/584053967.db2.gz IIFWJZVJGZDOAL-IGJPJIBNSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1CC12CC(O)C2 ZINC000897848126 584054013 /nfs/dbraw/zinc/05/40/13/584054013.db2.gz IIFWJZVJGZDOAL-QCXCNERSSA-N 1 0 209.333 2.234 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)n1 ZINC000897957031 584065846 /nfs/dbraw/zinc/06/58/46/584065846.db2.gz AKXUCNOHVVUGBH-JMJZKYOTSA-N 1 0 233.340 2.293 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)nn1 ZINC000897958211 584066287 /nfs/dbraw/zinc/06/62/87/584066287.db2.gz HYKFWFSWPPOUQZ-FPMFFAJLSA-N 1 0 246.358 2.132 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cn(C)nc1OC ZINC000898025584 584075777 /nfs/dbraw/zinc/07/57/77/584075777.db2.gz KBJNOXGBIGOHRH-UHFFFAOYSA-N 1 0 249.358 2.102 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cn(C)nc2OC)C1 ZINC000898026101 584076819 /nfs/dbraw/zinc/07/68/19/584076819.db2.gz VSXUNNJCUHPBII-WCQYABFASA-N 1 0 249.358 2.263 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000898035551 584079403 /nfs/dbraw/zinc/07/94/03/584079403.db2.gz UXOUCSYCFSEAQC-KBPBESRZSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cnn(CC)n1 ZINC000858444321 588955539 /nfs/dbraw/zinc/95/55/39/588955539.db2.gz VDOBREKNNORRAQ-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000898314333 584110741 /nfs/dbraw/zinc/11/07/41/584110741.db2.gz USTMJSLOLCKAIC-RDBSUJKOSA-N 1 0 237.391 2.245 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898375940 584113188 /nfs/dbraw/zinc/11/31/88/584113188.db2.gz IPLBVHDXWSQJCY-CVEARBPZSA-N 1 0 241.334 2.053 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(COC)o1 ZINC000898456405 584136769 /nfs/dbraw/zinc/13/67/69/584136769.db2.gz ABEHYDDRFWIMCN-UHFFFAOYSA-N 1 0 209.289 2.480 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000898458011 584137393 /nfs/dbraw/zinc/13/73/93/584137393.db2.gz VAFPOFRIHKKISS-UHFFFAOYSA-N 1 0 244.342 2.331 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc2nccn21 ZINC000898457683 584137477 /nfs/dbraw/zinc/13/74/77/584137477.db2.gz RVAGVWLANFICQK-UHFFFAOYSA-N 1 0 215.300 2.389 20 30 BEEDRO C=CC(C)(C)[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000898460544 584137996 /nfs/dbraw/zinc/13/79/96/584137996.db2.gz NNPKYAHYHRDQOR-WDEREUQCSA-N 1 0 243.322 2.174 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1nc(Br)c[nH]1 ZINC000898461100 584138173 /nfs/dbraw/zinc/13/81/73/584138173.db2.gz ZWYVWPPHYXHKIM-UHFFFAOYSA-N 1 0 244.136 2.226 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000898460552 584138148 /nfs/dbraw/zinc/13/81/48/584138148.db2.gz NXZKOIQKSSZKMC-UHFFFAOYSA-N 1 0 246.310 2.072 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccnc(OC)c1F ZINC000898462987 584138676 /nfs/dbraw/zinc/13/86/76/584138676.db2.gz TUIUFSQKCMEIBQ-UHFFFAOYSA-N 1 0 224.279 2.284 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@@H](C)C1CC1)c1ccccc1 ZINC000899272723 584192248 /nfs/dbraw/zinc/19/22/48/584192248.db2.gz NXFWZFNDWNNCBF-FZMZJTMJSA-N 1 0 241.338 2.273 20 30 BEEDRO C=C(c1ccc(C2(O)C[NH2+]C2)cc1)C(F)(F)F ZINC000899323488 584196354 /nfs/dbraw/zinc/19/63/54/584196354.db2.gz PCQYTGLDJSJANG-UHFFFAOYSA-N 1 0 243.228 2.053 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccns1 ZINC000858578112 588968429 /nfs/dbraw/zinc/96/84/29/588968429.db2.gz XCEGCHMCNTYGTF-LPEHRKFASA-N 1 0 221.329 2.486 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H]2C2CCCC2)CC1 ZINC000899912657 584253325 /nfs/dbraw/zinc/25/33/25/584253325.db2.gz MZECBOQOUIBLTG-ZIAGYGMSSA-N 1 0 248.370 2.306 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(F)c1 ZINC000899914453 584254118 /nfs/dbraw/zinc/25/41/18/584254118.db2.gz SMOZLLKHLLPSQW-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@H]2CCC[NH2+]C2)no1 ZINC000900016753 584266564 /nfs/dbraw/zinc/26/65/64/584266564.db2.gz ZTTPDMNKABGMRD-QWRGUYRKSA-N 1 0 235.331 2.291 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C1CCCCC1 ZINC000900065170 584270429 /nfs/dbraw/zinc/27/04/29/584270429.db2.gz BHTULFHMKKVAHO-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900585533 584331749 /nfs/dbraw/zinc/33/17/49/584331749.db2.gz SRZMHOMZFGWCHK-KGLIPLIRSA-N 1 0 248.370 2.182 20 30 BEEDRO C#CCCCCCCn1cc([C@H]([NH3+])CC)nn1 ZINC000900640929 584335325 /nfs/dbraw/zinc/33/53/25/584335325.db2.gz IFSCFCOAMFMDIF-GFCCVEGCSA-N 1 0 234.347 2.272 20 30 BEEDRO C#CCCCCCCn1cc(C[NH2+]C2CC2)nn1 ZINC000900644716 584338238 /nfs/dbraw/zinc/33/82/38/584338238.db2.gz UJACYCRWWYHKIG-UHFFFAOYSA-N 1 0 246.358 2.114 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900742535 584348045 /nfs/dbraw/zinc/34/80/45/584348045.db2.gz ROJAFKNARVMIOF-YNEHKIRRSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CC(C)(C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000900863116 584358358 /nfs/dbraw/zinc/35/83/58/584358358.db2.gz SGFTVGIEDUQDOA-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000900864829 584359129 /nfs/dbraw/zinc/35/91/29/584359129.db2.gz RUWXYEWJWTVNOA-YPMHNXCESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)C[C@H]1CC ZINC000900910148 584365008 /nfs/dbraw/zinc/36/50/08/584365008.db2.gz ZAEBPOZWKFDMEN-WCQYABFASA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC1(C)C ZINC000900971974 584369902 /nfs/dbraw/zinc/36/99/02/584369902.db2.gz HPMXHVZYQPVPHZ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccc(C)c1O ZINC000901229593 584403617 /nfs/dbraw/zinc/40/36/17/584403617.db2.gz VLXAHTNZVSNWDO-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO CCN[NH+]=Cc1ccc2c(c1)CCCN2C ZINC000901279430 584414226 /nfs/dbraw/zinc/41/42/26/584414226.db2.gz QIZGOXGRMVPNIO-UHFFFAOYSA-N 1 0 217.316 2.012 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1c(C)cccc1O ZINC000901293604 584423548 /nfs/dbraw/zinc/42/35/48/584423548.db2.gz JNTWJWYKPPXCKC-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(F)c(F)c2)C[N@@H+]1C ZINC000901317187 584429396 /nfs/dbraw/zinc/42/93/96/584429396.db2.gz GQQLXKMWRCFLDU-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901348837 584430960 /nfs/dbraw/zinc/43/09/60/584430960.db2.gz DXCGOMAFXOPWLI-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO CCn1cc[nH+]c1NCc1csc(C#N)c1 ZINC000902114177 584527234 /nfs/dbraw/zinc/52/72/34/584527234.db2.gz MXPSTEOWEGSRBR-UHFFFAOYSA-N 1 0 232.312 2.448 20 30 BEEDRO C=CCC[C@H](NCC1([NH3+])CC1)c1ccco1 ZINC000902406469 584573833 /nfs/dbraw/zinc/57/38/33/584573833.db2.gz MKWJGSXEVHETAO-NSHDSACASA-N 1 0 220.316 2.368 20 30 BEEDRO C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1cccc(C#N)c1 ZINC000902448150 584604970 /nfs/dbraw/zinc/60/49/70/584604970.db2.gz CZRQPZJNUTXJLS-FZMZJTMJSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1csc(N)n1 ZINC000902498396 584619474 /nfs/dbraw/zinc/61/94/74/584619474.db2.gz GADPJGNSLUYKMF-QMMMGPOBSA-N 1 0 211.334 2.170 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@@H](C)CC1=O ZINC000902668694 584654282 /nfs/dbraw/zinc/65/42/82/584654282.db2.gz DEFYOAIPRBYXRY-LBPRGKRZSA-N 1 0 224.348 2.100 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1C[C@H](CC)CC1=O ZINC000902668751 584654306 /nfs/dbraw/zinc/65/43/06/584654306.db2.gz GAFDAYSYDYVWGK-CYBMUJFWSA-N 1 0 238.375 2.491 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1c1cccn1C ZINC000801929128 584654947 /nfs/dbraw/zinc/65/49/47/584654947.db2.gz GHFAAERTCSPOBW-JSGCOSHPSA-N 1 0 247.342 2.091 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)O)[C@]1(C)CCCCO1 ZINC000902721006 584659738 /nfs/dbraw/zinc/65/97/38/584659738.db2.gz QNBLOCOUSIJODX-RDBSUJKOSA-N 1 0 241.375 2.251 20 30 BEEDRO CCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720898 584659874 /nfs/dbraw/zinc/65/98/74/584659874.db2.gz PFWBKXJDZVVVBF-SNVBAGLBSA-N 1 0 203.289 2.404 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H](C)CO)[C@@]1(C)CCCCO1 ZINC000902763165 584663715 /nfs/dbraw/zinc/66/37/15/584663715.db2.gz UTMMWRCDQCDZAA-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CO)[C@@]1(C)CCCCO1 ZINC000902763163 584663890 /nfs/dbraw/zinc/66/38/90/584663890.db2.gz UTMMWRCDQCDZAA-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1CCCOC1)c1cc(C#N)ccn1 ZINC000902759044 584665633 /nfs/dbraw/zinc/66/56/33/584665633.db2.gz ODDNHANHIKXEKL-DGCLKSJQSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cc(C#N)ccn1 ZINC000902766357 584666833 /nfs/dbraw/zinc/66/68/33/584666833.db2.gz ITDATDWQTUKHJO-YPMHNXCESA-N 1 0 245.326 2.173 20 30 BEEDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(C#N)ccn1 ZINC000902766950 584667015 /nfs/dbraw/zinc/66/70/15/584667015.db2.gz VEMGULOABFNYLP-SCVCMEIPSA-N 1 0 215.300 2.260 20 30 BEEDRO COCCCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902779563 584669492 /nfs/dbraw/zinc/66/94/92/584669492.db2.gz WNVHOJLRVKWCTA-LBPRGKRZSA-N 1 0 247.342 2.421 20 30 BEEDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902778909 584669886 /nfs/dbraw/zinc/66/98/86/584669886.db2.gz JAVZLBJMNBBAPE-NSHDSACASA-N 1 0 247.342 2.155 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902802470 584670621 /nfs/dbraw/zinc/67/06/21/584670621.db2.gz OHLGPHVLVXOZIY-MISXGVKJSA-N 1 0 247.342 2.011 20 30 BEEDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902801823 584671008 /nfs/dbraw/zinc/67/10/08/584671008.db2.gz FNHSRYHMELFQQY-FZMZJTMJSA-N 1 0 247.342 2.155 20 30 BEEDRO CCCn1cc([C@H](C)[NH2+]CCCCC#N)nn1 ZINC000902790013 584672529 /nfs/dbraw/zinc/67/25/29/584672529.db2.gz LWNYNNACIKKHSW-NSHDSACASA-N 1 0 235.335 2.033 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902789307 584672880 /nfs/dbraw/zinc/67/28/80/584672880.db2.gz DQZMHDJLFXVEMY-QSLWVIQJSA-N 1 0 234.343 2.083 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1cccnc1 ZINC000801935905 584675524 /nfs/dbraw/zinc/67/55/24/584675524.db2.gz MZLWXULUYSWKQQ-VXGBXAGGSA-N 1 0 233.315 2.003 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)c1cccnc1 ZINC000801935904 584675589 /nfs/dbraw/zinc/67/55/89/584675589.db2.gz MZLWXULUYSWKQQ-RYUDHWBXSA-N 1 0 233.315 2.003 20 30 BEEDRO COC[C@@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C(C)C ZINC000902819515 584675798 /nfs/dbraw/zinc/67/57/98/584675798.db2.gz VKQQDXVSYXOHPI-SMDDNHRTSA-N 1 0 247.342 2.275 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCO)c1cc(C#N)ccn1 ZINC000902826618 584676640 /nfs/dbraw/zinc/67/66/40/584676640.db2.gz GLMVDNQWQGKEPB-NSHDSACASA-N 1 0 247.342 2.012 20 30 BEEDRO CC[C@@H](CCO)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902839291 584679748 /nfs/dbraw/zinc/67/97/48/584679748.db2.gz QDVKDLNULGOAAR-NEPJUHHUSA-N 1 0 247.342 2.012 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H](C)CO)[C@@]1(C)CCCCO1 ZINC000902843585 584680837 /nfs/dbraw/zinc/68/08/37/584680837.db2.gz UTMMWRCDQCDZAA-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902872411 584683956 /nfs/dbraw/zinc/68/39/56/584683956.db2.gz GVPPZBAQRXOMFH-GXSJLCMTSA-N 1 0 233.340 2.109 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902872736 584684000 /nfs/dbraw/zinc/68/40/00/584684000.db2.gz NAFPUUMJJQZQDE-AAEUAGOBSA-N 1 0 247.342 2.155 20 30 BEEDRO C[C@H]([NH2+]CC1(C)CC1)c1cc(C#N)ccn1 ZINC000902874536 584684450 /nfs/dbraw/zinc/68/44/50/584684450.db2.gz GMIOGYROJQSMFP-JTQLQIEISA-N 1 0 215.300 2.404 20 30 BEEDRO C[C@H]([NH2+]C1CCSCC1)c1cc(C#N)ccn1 ZINC000902857433 584685776 /nfs/dbraw/zinc/68/57/76/584685776.db2.gz RYCLOTBIWLAPER-JTQLQIEISA-N 1 0 247.367 2.499 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCCOCC1)c1cc(C#N)ccn1 ZINC000902895809 584690868 /nfs/dbraw/zinc/69/08/68/584690868.db2.gz CLAJQUFQIHBOCV-DGCLKSJQSA-N 1 0 245.326 2.173 20 30 BEEDRO C[C@@H]([NH2+]CCOC1CCC1)c1cc(C#N)ccn1 ZINC000902917156 584691835 /nfs/dbraw/zinc/69/18/35/584691835.db2.gz NBNJPMYGPYBFMO-LLVKDONJSA-N 1 0 245.326 2.173 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902951917 584704632 /nfs/dbraw/zinc/70/46/32/584704632.db2.gz SLRXBEFRSRWTTM-SDDRHHMPSA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)c1cc(C#N)ccn1 ZINC000902978802 584708119 /nfs/dbraw/zinc/70/81/19/584708119.db2.gz KIIOWJUURXLYRF-LLVKDONJSA-N 1 0 240.310 2.298 20 30 BEEDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903018476 584713674 /nfs/dbraw/zinc/71/36/74/584713674.db2.gz CSCHVVHYUYGQBB-VXGBXAGGSA-N 1 0 247.342 2.276 20 30 BEEDRO COCC(C)(C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903000647 584715697 /nfs/dbraw/zinc/71/56/97/584715697.db2.gz YCGHYLCAWNJURY-NSHDSACASA-N 1 0 247.342 2.276 20 30 BEEDRO C[C@@H](F)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903001236 584715741 /nfs/dbraw/zinc/71/57/41/584715741.db2.gz RHKHJHPWKICYLI-NXEZZACHSA-N 1 0 221.279 2.352 20 30 BEEDRO CCC[C@@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)OC ZINC000903002371 584716284 /nfs/dbraw/zinc/71/62/84/584716284.db2.gz AEDAIOFMENDCJH-YPMHNXCESA-N 1 0 247.342 2.419 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](C)CCO)c1cc(C#N)ccn1 ZINC000903003464 584716606 /nfs/dbraw/zinc/71/66/06/584716606.db2.gz UYBJVEVNECSCLZ-NWDGAFQWSA-N 1 0 247.342 2.012 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903004421 584716717 /nfs/dbraw/zinc/71/67/17/584716717.db2.gz AEJZGKGIUKDTSV-NEPJUHHUSA-N 1 0 247.342 2.012 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cc(C#N)ccn1 ZINC000903006424 584717175 /nfs/dbraw/zinc/71/71/75/584717175.db2.gz HJILAGSSXIYBBB-WDEREUQCSA-N 1 0 247.342 2.153 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903008654 584717339 /nfs/dbraw/zinc/71/73/39/584717339.db2.gz RGPUTCYGYGSNII-ODXJTPSBSA-N 1 0 221.344 2.356 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903011408 584717408 /nfs/dbraw/zinc/71/74/08/584717408.db2.gz DYYSSARYUDEFRV-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO COCCC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000903031213 584718131 /nfs/dbraw/zinc/71/81/31/584718131.db2.gz JPKXLGZZOHYYGM-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO COCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000903032189 584718344 /nfs/dbraw/zinc/71/83/44/584718344.db2.gz FUOFVXUUWSZWNX-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cccc(C#N)c1 ZINC000903026687 584721634 /nfs/dbraw/zinc/72/16/34/584721634.db2.gz RXFAQTUKEKJQSF-BFHYXJOUSA-N 1 0 230.311 2.122 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1cccc(C#N)c1 ZINC000903056727 584722219 /nfs/dbraw/zinc/72/22/19/584722219.db2.gz RTAWTMUKLUHVCC-ZIAGYGMSSA-N 1 0 230.311 2.146 20 30 BEEDRO C[C@H]([NH2+][C@H]1C=CCC1)c1cc(C#N)ccn1 ZINC000903047637 584723732 /nfs/dbraw/zinc/72/37/32/584723732.db2.gz BFVZXQLAPPQZRW-JQWIXIFHSA-N 1 0 213.284 2.322 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccoc1)c1cc(C#N)ccn1 ZINC000903051763 584724224 /nfs/dbraw/zinc/72/42/24/584724224.db2.gz WSHAZDXFWRBCKE-LLVKDONJSA-N 1 0 241.294 2.440 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cccc(C#N)c1 ZINC000903073228 584726049 /nfs/dbraw/zinc/72/60/49/584726049.db2.gz PDFPMHIVHFTMRU-CFVMTHIKSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903175867 584733223 /nfs/dbraw/zinc/73/32/23/584733223.db2.gz WRBHLXBVQVZJGQ-GXTWGEPZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000903185282 584733500 /nfs/dbraw/zinc/73/35/00/584733500.db2.gz CTVXDXVTPKVZGQ-HTOAHKCRSA-N 1 0 221.344 2.498 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C1CC(CC(N)=O)C1 ZINC000903252711 584739269 /nfs/dbraw/zinc/73/92/69/584739269.db2.gz HANYAFVGDCMMHD-HIFPTAJRSA-N 1 0 238.375 2.365 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000903255733 584740096 /nfs/dbraw/zinc/74/00/96/584740096.db2.gz ZYLQJHACYUXVET-WXCVZDNMSA-N 1 0 204.317 2.313 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903264884 584740664 /nfs/dbraw/zinc/74/06/64/584740664.db2.gz IRKLYMIWVCUBPU-RTXFEEFZSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC1 ZINC000903287171 584745813 /nfs/dbraw/zinc/74/58/13/584745813.db2.gz BECMGLJDJZQLHS-GHRCFYLDSA-N 1 0 233.355 2.497 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCN1C)C1CC1 ZINC000903325019 584747219 /nfs/dbraw/zinc/74/72/19/584747219.db2.gz XLPXRKDLVFHRIR-STQMWFEESA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCN1C)C1CC1 ZINC000903325018 584747462 /nfs/dbraw/zinc/74/74/62/584747462.db2.gz XLPXRKDLVFHRIR-QWHCGFSZSA-N 1 0 208.349 2.025 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCN2C)C1 ZINC000903315842 584749243 /nfs/dbraw/zinc/74/92/43/584749243.db2.gz KJBPWMRFLFHREZ-JHJVBQTASA-N 1 0 208.349 2.025 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000903330079 584754034 /nfs/dbraw/zinc/75/40/34/584754034.db2.gz HLHRZFHMZXENLJ-TUAOUCFPSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCCN(CC)C1=O ZINC000903392153 584756077 /nfs/dbraw/zinc/75/60/77/584756077.db2.gz NOXWDDMCWLWXGE-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(CC)C1=O ZINC000903392744 584756173 /nfs/dbraw/zinc/75/61/73/584756173.db2.gz YITBQMQFOSAAGG-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccc(C#N)cc1F ZINC000903395605 584757032 /nfs/dbraw/zinc/75/70/32/584757032.db2.gz MSGHPQNSTCHYLQ-ISTVAULSSA-N 1 0 248.301 2.383 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC[C@@H](O)C1CC1)C1CC1 ZINC000903406349 584758746 /nfs/dbraw/zinc/75/87/46/584758746.db2.gz HXJRQGHKYOYQAJ-ZIAGYGMSSA-N 1 0 223.360 2.482 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1CCC[C@H]([NH3+])C1 ZINC000903420921 584763626 /nfs/dbraw/zinc/76/36/26/584763626.db2.gz GRWTULLMYMAKBE-AWEZNQCLSA-N 1 0 243.354 2.098 20 30 BEEDRO CN(Cc1cc(Cl)cc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000903423095 584764801 /nfs/dbraw/zinc/76/48/01/584764801.db2.gz PISDTUUAVIZHAA-CYBMUJFWSA-N 1 0 249.745 2.005 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000903424749 584765528 /nfs/dbraw/zinc/76/55/28/584765528.db2.gz DRTYBGPMTULKIJ-XSCHDIRWSA-N 1 0 249.402 2.376 20 30 BEEDRO N#CC1CCC(CN(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000903446482 584770117 /nfs/dbraw/zinc/77/01/17/584770117.db2.gz XDNWSHNMLWYXJZ-SSDMNJCBSA-N 1 0 247.386 2.143 20 30 BEEDRO C[N@H+](CC1CCC(C#N)CC1)C1(CN)CCC1 ZINC000903453768 584772737 /nfs/dbraw/zinc/77/27/37/584772737.db2.gz KZRBRRNJIGUPSH-UHFFFAOYSA-N 1 0 235.375 2.130 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1C[C@H]([NH3+])C[C@H]1C ZINC000903477025 584777381 /nfs/dbraw/zinc/77/73/81/584777381.db2.gz RBXRWHFTKVNMSZ-TZMCWYRMSA-N 1 0 243.354 2.097 20 30 BEEDRO C[C@H]1C[C@H]([NH3+])CN1Cc1cc(Cl)cc(C#N)c1 ZINC000903476882 584777423 /nfs/dbraw/zinc/77/74/23/584777423.db2.gz MTPYNVXVHXTENJ-ZANVPECISA-N 1 0 249.745 2.133 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903481612 584777841 /nfs/dbraw/zinc/77/78/41/584777841.db2.gz HSVSPDMNMIQOBL-SNVBAGLBSA-N 1 0 214.740 2.003 20 30 BEEDRO C[NH2+]C[C@@H]1CCCCN1CC1CCC(C#N)CC1 ZINC000903527057 584781654 /nfs/dbraw/zinc/78/16/54/584781654.db2.gz RIVNXXIKFZQCAB-NRXISQOPSA-N 1 0 249.402 2.390 20 30 BEEDRO N#CC1(CCCCN2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000903779234 584799500 /nfs/dbraw/zinc/79/95/00/584799500.db2.gz WXMBRFGMGJKXKW-OKILXGFUSA-N 1 0 247.386 2.287 20 30 BEEDRO C[C@@H]1C[C@H]([NH3+])CN1CCCCC1(C#N)CCC1 ZINC000903779456 584799625 /nfs/dbraw/zinc/79/96/25/584799625.db2.gz ZXORAFZQQXTEFK-OLZOCXBDSA-N 1 0 235.375 2.272 20 30 BEEDRO C[C@@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949453 584830120 /nfs/dbraw/zinc/83/01/20/584830120.db2.gz ATVBGDCTPXZVNR-ZOWXZIJZSA-N 1 0 243.354 2.207 20 30 BEEDRO C[C@H](N[C@@H]1C[NH2+]C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000903949446 584830332 /nfs/dbraw/zinc/83/03/32/584830332.db2.gz ATVBGDCTPXZVNR-HUBLWGQQSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CC(C)(C)Cc1nc(C2CC[NH2+]CC2)no1 ZINC000904073977 584839796 /nfs/dbraw/zinc/83/97/96/584839796.db2.gz YWWVJOSFZMHRGF-UHFFFAOYSA-N 1 0 235.331 2.291 20 30 BEEDRO CCCCCCN(O)C(=O)[C@H](CC)[NH+](C)C ZINC000904204266 584851974 /nfs/dbraw/zinc/85/19/74/584851974.db2.gz IKPMYDSDRXYREI-NSHDSACASA-N 1 0 230.352 2.125 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC000876668070 584886555 /nfs/dbraw/zinc/88/65/55/584886555.db2.gz GDNONPJZUMSOEX-UWVGGRQHSA-N 1 0 244.766 2.151 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876952548 584888220 /nfs/dbraw/zinc/88/82/20/584888220.db2.gz SSBXJHRLTQUPMK-NEPJUHHUSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000828021133 584901497 /nfs/dbraw/zinc/90/14/97/584901497.db2.gz QUTTWKFRMJDTFO-LSDHHAIUSA-N 1 0 231.339 2.240 20 30 BEEDRO CC(CCCC[NH+](C)C)=NOCC(F)F ZINC000758907271 584906264 /nfs/dbraw/zinc/90/62/64/584906264.db2.gz UFRLASUNPXIUMI-UHFFFAOYSA-N 1 0 222.279 2.376 20 30 BEEDRO C#CCOCC[N@H+](C)CCCOc1ccccc1 ZINC000761107810 584910055 /nfs/dbraw/zinc/91/00/55/584910055.db2.gz IMRQHDCBCOWXFG-UHFFFAOYSA-N 1 0 247.338 2.037 20 30 BEEDRO CCN(CC)[C@@H](C(=O)OCC#N)c1ccccc1 ZINC000731907022 584931045 /nfs/dbraw/zinc/93/10/45/584931045.db2.gz DGLNYBNXIZNHEQ-CYBMUJFWSA-N 1 0 246.310 2.136 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000766902583 584944597 /nfs/dbraw/zinc/94/45/97/584944597.db2.gz LGFLTOLKTFDACU-QWHCGFSZSA-N 1 0 209.333 2.025 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000884449976 584953484 /nfs/dbraw/zinc/95/34/84/584953484.db2.gz SZYVDORGOHOGMR-GFCCVEGCSA-N 1 0 238.375 2.319 20 30 BEEDRO COC[C@@H](C)C=[NH+]n1cnnc1-c1ccccc1 ZINC000755892365 584997200 /nfs/dbraw/zinc/99/72/00/584997200.db2.gz NNDQMJYRCPLDGT-NSHDSACASA-N 1 0 244.298 2.062 20 30 BEEDRO N#CCC1(C[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000819280766 585000918 /nfs/dbraw/zinc/00/09/18/585000918.db2.gz NFPZRCNNCBCOGO-CYBMUJFWSA-N 1 0 248.301 2.143 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C[C@H](C(C)C)CC1=O ZINC000736582937 585006854 /nfs/dbraw/zinc/00/68/54/585006854.db2.gz LHZJNUCZSPQTNV-CYBMUJFWSA-N 1 0 238.375 2.346 20 30 BEEDRO C[C@H]1CNC(NN=C2CCCCC23CCCC3)=[NH+]1 ZINC000814897501 585018633 /nfs/dbraw/zinc/01/86/33/585018633.db2.gz KJFXSDBYGOBCFG-NSHDSACASA-N 1 0 248.374 2.414 20 30 BEEDRO C[C@@H]1CCCN1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000774212456 585028044 /nfs/dbraw/zinc/02/80/44/585028044.db2.gz XHBCKEHRWNOTEI-RDBSUJKOSA-N 1 0 235.375 2.143 20 30 BEEDRO CC#CCC[N@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823606933 585028274 /nfs/dbraw/zinc/02/82/74/585028274.db2.gz XIHUGBMYKHOCKY-OAHLLOKOSA-N 1 0 231.339 2.239 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886018991 585035733 /nfs/dbraw/zinc/03/57/33/585035733.db2.gz KJTNLEDZEWQBOP-UPJWGTAASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886018989 585035756 /nfs/dbraw/zinc/03/57/56/585035756.db2.gz KJTNLEDZEWQBOP-JHJVBQTASA-N 1 0 236.359 2.162 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000106198034 585037354 /nfs/dbraw/zinc/03/73/54/585037354.db2.gz LDRUXFNTIDDOES-NSHDSACASA-N 1 0 214.353 2.056 20 30 BEEDRO CC(C)(C)C#CC(=O)OCCC[NH+]1CCCC1 ZINC000838371679 585055289 /nfs/dbraw/zinc/05/52/89/585055289.db2.gz ZDTSMPSFNHSTGH-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C=CCCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788117457 585073411 /nfs/dbraw/zinc/07/34/11/585073411.db2.gz LLTHUOYEUYRNMK-NWDGAFQWSA-N 1 0 223.316 2.123 20 30 BEEDRO C=CCCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000788117459 585073612 /nfs/dbraw/zinc/07/36/12/585073612.db2.gz LLTHUOYEUYRNMK-VXGBXAGGSA-N 1 0 223.316 2.123 20 30 BEEDRO N#CCC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000838914183 585077825 /nfs/dbraw/zinc/07/78/25/585077825.db2.gz BYJYLAPUFOFOIJ-GJZGRUSLSA-N 1 0 244.338 2.392 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000838913972 585077882 /nfs/dbraw/zinc/07/78/82/585077882.db2.gz YBIVREVOZGKPOJ-LSDHHAIUSA-N 1 0 229.323 2.112 20 30 BEEDRO C=CCC[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000739904312 585085051 /nfs/dbraw/zinc/08/50/51/585085051.db2.gz QXJWEKTUHITPEF-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC000839098140 585090841 /nfs/dbraw/zinc/09/08/41/585090841.db2.gz IJGPYGWNBQRYPJ-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC3(C2)CCCOC3)cc1 ZINC000839139213 585094301 /nfs/dbraw/zinc/09/43/01/585094301.db2.gz YNMWTWYAWWCNLY-UHFFFAOYSA-N 1 0 241.334 2.280 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cc(F)ncc1F ZINC000839163843 585098409 /nfs/dbraw/zinc/09/84/09/585098409.db2.gz RZKWUJNQTBWZBL-UHFFFAOYSA-N 1 0 239.269 2.389 20 30 BEEDRO CCCCCCCC[NH2+][C@@H]1COC[C@@H]1OC ZINC000839199607 585099355 /nfs/dbraw/zinc/09/93/55/585099355.db2.gz NROQVGQBJHSNBI-OLZOCXBDSA-N 1 0 229.364 2.350 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000839200707 585099389 /nfs/dbraw/zinc/09/93/89/585099389.db2.gz YWMBTFBCTBVIAI-LBPRGKRZSA-N 1 0 239.359 2.309 20 30 BEEDRO c1nncn1[NH+]=C1CC[C@H]2CCCC[C@H]2C1 ZINC000839382210 585101906 /nfs/dbraw/zinc/10/19/06/585101906.db2.gz RRYXPESALTYNIK-MNOVXSKESA-N 1 0 218.304 2.473 20 30 BEEDRO c1nncn1[NH+]=C1CC[C@H]2CCCC[C@@H]2C1 ZINC000839382208 585101932 /nfs/dbraw/zinc/10/19/32/585101932.db2.gz RRYXPESALTYNIK-GHMZBOCLSA-N 1 0 218.304 2.473 20 30 BEEDRO CCC(Cc1ccccc1)=[NH+]n1cnnc1 ZINC000839380979 585102026 /nfs/dbraw/zinc/10/20/26/585102026.db2.gz FHMQHTXHSTUCGZ-UHFFFAOYSA-N 1 0 214.272 2.135 20 30 BEEDRO C=C(C)COC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000741028141 585109510 /nfs/dbraw/zinc/10/95/10/585109510.db2.gz CCGRTHSJAVNEFC-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO CC[C@H](C(=O)OCCCCC#N)[NH+](CC)CC ZINC000741032761 585109609 /nfs/dbraw/zinc/10/96/09/585109609.db2.gz JVZHBUPIGJRQCX-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO Cc1ccc(CC(N=NC(N)=[NH2+])C(C)C)cc1 ZINC000741451012 585114040 /nfs/dbraw/zinc/11/40/40/585114040.db2.gz JICAFDXVGQNRJD-UHFFFAOYSA-N 1 0 232.331 2.033 20 30 BEEDRO C[C@@H]1C[C@H](/N=C/c2ccccc2O)CC[N@@H+]1C ZINC000741464292 585114545 /nfs/dbraw/zinc/11/45/45/585114545.db2.gz NMTGZTFFERXBEF-ZQVVPGSTSA-N 1 0 232.327 2.294 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886297137 585117893 /nfs/dbraw/zinc/11/78/93/585117893.db2.gz JFSHRUYBQZDFRY-UONOGXRCSA-N 1 0 248.370 2.329 20 30 BEEDRO Cn1cccc1C[NH2+]Cc1cc(C#N)ccc1F ZINC000742382016 585125324 /nfs/dbraw/zinc/12/53/24/585125324.db2.gz XLGQNWPIWTVHPJ-UHFFFAOYSA-N 1 0 243.285 2.326 20 30 BEEDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000742387275 585125340 /nfs/dbraw/zinc/12/53/40/585125340.db2.gz QOFOHWBTRRLOBQ-ZDUSSCGKSA-N 1 0 243.354 2.132 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C2CC(OC(C)C)C2)C1 ZINC000886365194 585134934 /nfs/dbraw/zinc/13/49/34/585134934.db2.gz BTQOWYLCTSUFFW-IYXRBSQSSA-N 1 0 221.344 2.288 20 30 BEEDRO C=C(C)C[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000746481567 585168221 /nfs/dbraw/zinc/16/82/21/585168221.db2.gz HQODKRDJTGKCMO-UHFFFAOYSA-N 1 0 232.318 2.224 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccc(F)cc1 ZINC000746457534 585168537 /nfs/dbraw/zinc/16/85/37/585168537.db2.gz HGKZFKNHBDCUPL-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO CC(=[NH+]n1cnnc1)C1C(C)(C)C1(C)C ZINC000746557839 585170013 /nfs/dbraw/zinc/17/00/13/585170013.db2.gz MSNFLSJCSAWEQV-UHFFFAOYSA-N 1 0 206.293 2.184 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000886662543 585172414 /nfs/dbraw/zinc/17/24/14/585172414.db2.gz GJMMPRMYZWXXJH-JYJNAYRXSA-N 1 0 246.398 2.252 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)C1CCC1 ZINC000747632508 585181533 /nfs/dbraw/zinc/18/15/33/585181533.db2.gz FFSFWFUERLXAPK-UHFFFAOYSA-N 1 0 223.364 2.238 20 30 BEEDRO C=CCCC(=O)OCCC[NH+]1CCCCC1 ZINC000747759090 585183620 /nfs/dbraw/zinc/18/36/20/585183620.db2.gz XRGUUNGYJDAZCJ-UHFFFAOYSA-N 1 0 225.332 2.372 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886854142 585185339 /nfs/dbraw/zinc/18/53/39/585185339.db2.gz CJCGIHADHQCKKC-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO CON=C1CCCC[C@H]1[NH+]1CCCCC1 ZINC000748780848 585195917 /nfs/dbraw/zinc/19/59/17/585195917.db2.gz PKBBJUHMXGMORE-GFCCVEGCSA-N 1 0 210.321 2.417 20 30 BEEDRO C[C@H]1CCCN1CC[NH2+]Cc1ccc(C#N)s1 ZINC000749110915 585199420 /nfs/dbraw/zinc/19/94/20/585199420.db2.gz TZTCFSGDMAJIRM-NSHDSACASA-N 1 0 249.383 2.194 20 30 BEEDRO CC(C)CON=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000749631119 585204795 /nfs/dbraw/zinc/20/47/95/585204795.db2.gz HNVXLRFMNLUMDU-NSHDSACASA-N 1 0 212.337 2.375 20 30 BEEDRO C=CCC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000749844753 585207308 /nfs/dbraw/zinc/20/73/08/585207308.db2.gz MTDQYHWGRPJPAU-UHFFFAOYSA-N 1 0 232.318 2.224 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cc(F)cc(F)c1 ZINC000752163982 585243104 /nfs/dbraw/zinc/24/31/04/585243104.db2.gz HVPAPCSMAMGRPS-QMMMGPOBSA-N 1 0 239.269 2.314 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cccc(F)c1F ZINC000752164768 585243169 /nfs/dbraw/zinc/24/31/69/585243169.db2.gz BIHJQXXPDSZPFR-QMMMGPOBSA-N 1 0 239.269 2.314 20 30 BEEDRO CCCCN[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752727850 585249158 /nfs/dbraw/zinc/24/91/58/585249158.db2.gz UCZVJEFKVWFJLQ-UHFFFAOYSA-N 1 0 231.343 2.403 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC1(C)CCCCC1 ZINC000752947241 585251708 /nfs/dbraw/zinc/25/17/08/585251708.db2.gz CDKVONBVUDUTEC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCC[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000754184170 585279876 /nfs/dbraw/zinc/27/98/76/585279876.db2.gz AWZMONWIXFTVJW-ZDUSSCGKSA-N 1 0 242.326 2.039 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000754239370 585281077 /nfs/dbraw/zinc/28/10/77/585281077.db2.gz ZCDXKEJOMNKZJF-STQMWFEESA-N 1 0 223.360 2.129 20 30 BEEDRO CC(C)[N@H+]1CC(=NNC2CCCC2)[C@@H](C)C1 ZINC000754260096 585281498 /nfs/dbraw/zinc/28/14/98/585281498.db2.gz SIEGCZVBKWGJGL-NSHDSACASA-N 1 0 223.364 2.235 20 30 BEEDRO Cc1ccnc(N=NC2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000755906419 585310034 /nfs/dbraw/zinc/31/00/34/585310034.db2.gz MOXCFFIRRVVMAG-NSHDSACASA-N 1 0 232.331 2.272 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C=C(CC)CC ZINC000756552588 585320889 /nfs/dbraw/zinc/32/08/89/585320889.db2.gz RDDDCLXSRKZTFR-AWEZNQCLSA-N 1 0 249.354 2.374 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)CC1CCCC1 ZINC000756546701 585320926 /nfs/dbraw/zinc/32/09/26/585320926.db2.gz FORDGAVBGDHCPL-CQSZACIVSA-N 1 0 249.354 2.208 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@H](C)C1CC1 ZINC000756556215 585320953 /nfs/dbraw/zinc/32/09/53/585320953.db2.gz SUMJAYRRIRIPJH-JSGCOSHPSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(C)CC[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000839579130 585331033 /nfs/dbraw/zinc/33/10/33/585331033.db2.gz SUFUHNVWHSGMFY-ZDUSSCGKSA-N 1 0 249.358 2.121 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000839558172 585331123 /nfs/dbraw/zinc/33/11/23/585331123.db2.gz RAJDTNFSAQHTBE-AAEUAGOBSA-N 1 0 239.746 2.493 20 30 BEEDRO C=C(Cl)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000839588155 585331218 /nfs/dbraw/zinc/33/12/18/585331218.db2.gz LOZYVGFNICNBAH-SNVBAGLBSA-N 1 0 217.740 2.222 20 30 BEEDRO C=C(Cl)C[NH2+]C(CC)(CC)CCO ZINC000839593524 585331425 /nfs/dbraw/zinc/33/14/25/585331425.db2.gz DVVIMNHGNLREBZ-UHFFFAOYSA-N 1 0 205.729 2.270 20 30 BEEDRO CC(C)[C@H]([NH2+]CCC#N)[C@H](O)c1ccccc1 ZINC000839600563 585331547 /nfs/dbraw/zinc/33/15/47/585331547.db2.gz FCHTWACOHJSIKE-UONOGXRCSA-N 1 0 232.327 2.248 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOc1ccccc1C ZINC000839615533 585332260 /nfs/dbraw/zinc/33/22/60/585332260.db2.gz WBKFKXKUPBRHSK-KGLIPLIRSA-N 1 0 247.338 2.307 20 30 BEEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCC#N)C1(C)C ZINC000839618851 585332280 /nfs/dbraw/zinc/33/22/80/585332280.db2.gz KHMYTVFZKGCYNU-MNOVXSKESA-N 1 0 224.348 2.472 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000839638649 585334879 /nfs/dbraw/zinc/33/48/79/585334879.db2.gz JHTJEBRSQZDUGL-WCQYABFASA-N 1 0 209.333 2.193 20 30 BEEDRO C[N@@H+]1CCCC(=NO[C@@H]2CCCCO2)CC1 ZINC000758116891 585349586 /nfs/dbraw/zinc/34/95/86/585349586.db2.gz CDQDKZAPBZEMGP-GFCCVEGCSA-N 1 0 226.320 2.001 20 30 BEEDRO C[C@@H]1CN(Cc2ccccc2)CC1=NNC1CC1 ZINC000758128230 585349998 /nfs/dbraw/zinc/34/99/98/585349998.db2.gz WVIRIOFSNARFNW-GFCCVEGCSA-N 1 0 243.354 2.246 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1=NOCc1ccc(F)cc1 ZINC000758143154 585350673 /nfs/dbraw/zinc/35/06/73/585350673.db2.gz FEZGZTAUYPTKNI-SNVBAGLBSA-N 1 0 236.290 2.280 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000759073432 585363840 /nfs/dbraw/zinc/36/38/40/585363840.db2.gz YMDQLVKMRPZOTQ-LSDHHAIUSA-N 1 0 244.338 2.322 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1ccccc1F ZINC000760819972 585397887 /nfs/dbraw/zinc/39/78/87/585397887.db2.gz MOANPJAIMCSYRX-UHFFFAOYSA-N 1 0 235.302 2.297 20 30 BEEDRO C#CCC[N@@H+](CCC)C[C@@H]1CCCCO1 ZINC000760854818 585400094 /nfs/dbraw/zinc/40/00/94/585400094.db2.gz DNXWQZKIPDVLSU-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C#CCC[NH+]1CCC(CCC(=O)OCC)CC1 ZINC000760877239 585400605 /nfs/dbraw/zinc/40/06/05/585400605.db2.gz FWGGPSHPOKCOIA-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)N1CC[N@H+](C)[C@H](C)C1 ZINC000761080513 585406712 /nfs/dbraw/zinc/40/67/12/585406712.db2.gz WQYZHKBGPCCHRP-CHWSQXEVSA-N 1 0 243.354 2.255 20 30 BEEDRO N#CCOc1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761081087 585406897 /nfs/dbraw/zinc/40/68/97/585406897.db2.gz FKGBETWHRZWGSA-OCCSQVGLSA-N 1 0 228.295 2.183 20 30 BEEDRO C#CCOCC[N@H+](C)CCCc1ccccc1 ZINC000761108346 585409697 /nfs/dbraw/zinc/40/96/97/585409697.db2.gz LBNSIAOGMQUKDW-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1ccccc1 ZINC000761110845 585410337 /nfs/dbraw/zinc/41/03/37/585410337.db2.gz WNPQIHMGFHTHRC-ZDUSSCGKSA-N 1 0 217.312 2.329 20 30 BEEDRO C#CC[N@H+](CC)CCN1CCCc2ccccc21 ZINC000761670246 585417867 /nfs/dbraw/zinc/41/78/67/585417867.db2.gz PRLQBMOFGZNDPV-UHFFFAOYSA-N 1 0 242.366 2.394 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc(F)c2F)C[N@@H+]1C ZINC000761813401 585419360 /nfs/dbraw/zinc/41/93/60/585419360.db2.gz SQZOIMMCZRMFIT-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO C=CCCC(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000762585231 585434117 /nfs/dbraw/zinc/43/41/17/585434117.db2.gz XDVWWJSBSWIEOU-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO COCC#CC[NH+]1CCC(CC(C)C)CC1 ZINC000762925607 585439568 /nfs/dbraw/zinc/43/95/68/585439568.db2.gz JCGHKXIDDOPEOF-UHFFFAOYSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CC[N@@H+](CCCCCCCO)C1CC1 ZINC000763950528 585457662 /nfs/dbraw/zinc/45/76/62/585457662.db2.gz WOKMBVIMILSHMV-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CC[N@H+](Cc1ccc2c(c1)COC2)C1CC1 ZINC000763956115 585457846 /nfs/dbraw/zinc/45/78/46/585457846.db2.gz VFWHEECEDXERKK-UHFFFAOYSA-N 1 0 227.307 2.314 20 30 BEEDRO CC(CCc1ccc(Cl)s1)N=NC(N)=[NH2+] ZINC000764405032 585465031 /nfs/dbraw/zinc/46/50/31/585465031.db2.gz RTDYTKYOFIIITL-UHFFFAOYSA-N 1 0 244.751 2.193 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000764676175 585470759 /nfs/dbraw/zinc/47/07/59/585470759.db2.gz FZEWECRDZFELLV-UHFFFAOYSA-N 1 0 246.329 2.489 20 30 BEEDRO CC#CCC[NH+]1CCC(N(C)CC(F)F)CC1 ZINC000764981316 585478278 /nfs/dbraw/zinc/47/82/78/585478278.db2.gz TYMRMKVPHDMWBZ-UHFFFAOYSA-N 1 0 244.329 2.061 20 30 BEEDRO Cc1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)nc1 ZINC000765572495 585489871 /nfs/dbraw/zinc/48/98/71/585489871.db2.gz SOYMBGJANMNPDE-GFCCVEGCSA-N 1 0 230.315 2.026 20 30 BEEDRO c1ccc(CON=C2CC[N@@H+]3CCC[C@@H]23)cc1 ZINC000765572890 585489898 /nfs/dbraw/zinc/48/98/98/585489898.db2.gz PJKYXHUGFOZLCA-AWEZNQCLSA-N 1 0 230.311 2.427 20 30 BEEDRO Cc1ccnc(N=NC2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000765581892 585490276 /nfs/dbraw/zinc/49/02/76/585490276.db2.gz UGJGOEOZDRCGJJ-LBPRGKRZSA-N 1 0 230.315 2.026 20 30 BEEDRO CCCCCCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000766268294 585499677 /nfs/dbraw/zinc/49/96/77/585499677.db2.gz CWOLOJKDVOKNIN-ZDUSSCGKSA-N 1 0 238.375 2.263 20 30 BEEDRO C=C(Cl)CN1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000766250675 585499985 /nfs/dbraw/zinc/49/99/85/585499985.db2.gz AJTUJJYGJUOZKF-MNOVXSKESA-N 1 0 216.756 2.153 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCCNc1ncccn1 ZINC000766515308 585503725 /nfs/dbraw/zinc/50/37/25/585503725.db2.gz CJBHYAAONKRRHT-QWHCGFSZSA-N 1 0 248.374 2.469 20 30 BEEDRO CC1(c2ccccc2)CCC(N=NC(N)=[NH2+])CC1 ZINC000766690713 585505346 /nfs/dbraw/zinc/50/53/46/585505346.db2.gz JJXFATSWMGFUDS-UHFFFAOYSA-N 1 0 244.342 2.357 20 30 BEEDRO C#CCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000766907288 585509163 /nfs/dbraw/zinc/50/91/63/585509163.db2.gz YPVDFGXPMJPFAT-NSHDSACASA-N 1 0 249.276 2.035 20 30 BEEDRO C#CCCC[N@@H+](C[C@@H](C)O)C1CCCCC1 ZINC000766894233 585509301 /nfs/dbraw/zinc/50/93/01/585509301.db2.gz ASHFTXUNBHSSDX-CYBMUJFWSA-N 1 0 223.360 2.415 20 30 BEEDRO C#CCCC[NH+]1CCC(CC(=O)OCC)CC1 ZINC000766895204 585509459 /nfs/dbraw/zinc/50/94/59/585509459.db2.gz JYTJODJIYXZAMY-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCC[N@@H+](CCC(=O)OCC)CC1CC1 ZINC000766896593 585509911 /nfs/dbraw/zinc/50/99/11/585509911.db2.gz UOZMLXOENGIPDC-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](COCC)C1 ZINC000766906017 585511104 /nfs/dbraw/zinc/51/11/04/585511104.db2.gz MEVSOBGIAXZAJJ-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCCC[N@H+]1CCOC[C@H]1CC(C)C ZINC000766906853 585511194 /nfs/dbraw/zinc/51/11/94/585511194.db2.gz WMQWAADFLQFBOA-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCN1CC[N@@H+](CCCC#C)CC1(C)C ZINC000766919239 585511891 /nfs/dbraw/zinc/51/18/91/585511891.db2.gz OMZKNLSZHQTNRX-UHFFFAOYSA-N 1 0 246.398 2.209 20 30 BEEDRO C#CCCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000766940176 585511995 /nfs/dbraw/zinc/51/19/95/585511995.db2.gz LPZWFUDUFQBABZ-UHFFFAOYSA-N 1 0 243.354 2.371 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000766934780 585512117 /nfs/dbraw/zinc/51/21/17/585512117.db2.gz ICCBUVKULBZMAD-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2c(F)cccc2C1 ZINC000767119714 585514473 /nfs/dbraw/zinc/51/44/73/585514473.db2.gz MYKMOODDNLHZGY-CQSZACIVSA-N 1 0 235.302 2.121 20 30 BEEDRO C#CC[N@@H+](CCC(=O)C1CC1)C1CCCC1 ZINC000767416788 585519779 /nfs/dbraw/zinc/51/97/79/585519779.db2.gz XPWJKXGNPTWVSI-UHFFFAOYSA-N 1 0 219.328 2.233 20 30 BEEDRO CCO[NH+]=C(C)c1ccc(N2CCOCC2)cc1 ZINC000767461492 585520649 /nfs/dbraw/zinc/52/06/49/585520649.db2.gz BOAJTIHQWXBWMO-UHFFFAOYSA-N 1 0 248.326 2.284 20 30 BEEDRO Cc1cc(C[NH2+][C@](C)(CO)C2CC2)ccc1C#N ZINC000767692945 585524903 /nfs/dbraw/zinc/52/49/03/585524903.db2.gz YDNBEWKCQYDCME-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO CN(CCC#N)Cc1ccc(C[NH+](C)C)cc1 ZINC000768137098 585532793 /nfs/dbraw/zinc/53/27/93/585532793.db2.gz KJVGUNYCCXUWHS-UHFFFAOYSA-N 1 0 231.343 2.094 20 30 BEEDRO CN(CCC#N)Cc1ccc2c(c1)COC2 ZINC000768138397 585532915 /nfs/dbraw/zinc/53/29/15/585532915.db2.gz UHISZQKMHFZEEF-UHFFFAOYSA-N 1 0 216.284 2.062 20 30 BEEDRO C#CC[N@@H+](CC#CC)Cc1cc(C)c(C)cc1O ZINC000769451274 585557097 /nfs/dbraw/zinc/55/70/97/585557097.db2.gz KHSHCOFCMARVNY-UHFFFAOYSA-N 1 0 241.334 2.468 20 30 BEEDRO CC(=[NH+]NC[C@H](C)C#N)c1ccccc1N(C)C ZINC000769585258 585559936 /nfs/dbraw/zinc/55/99/36/585559936.db2.gz MYRHHQOINXBWPJ-LLVKDONJSA-N 1 0 244.342 2.226 20 30 BEEDRO CN1CCN(N=C2CC[C@H]2c2ccccc2)CC1 ZINC000769764449 585563130 /nfs/dbraw/zinc/56/31/30/585563130.db2.gz AKUGHZMLIGPRJJ-AWEZNQCLSA-N 1 0 243.354 2.167 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000769844676 585565253 /nfs/dbraw/zinc/56/52/53/585565253.db2.gz BWNCOUCURBSVQH-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000769944377 585567042 /nfs/dbraw/zinc/56/70/42/585567042.db2.gz MPGKBODIJADZMV-UWVGGRQHSA-N 1 0 247.367 2.414 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCc1ccc(C)cc1 ZINC000769963611 585567888 /nfs/dbraw/zinc/56/78/88/585567888.db2.gz XBJJAXWTIAWWRA-ZDUSSCGKSA-N 1 0 201.313 2.491 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc(C)cc1 ZINC000769963605 585568036 /nfs/dbraw/zinc/56/80/36/585568036.db2.gz XBJJAXWTIAWWRA-CYBMUJFWSA-N 1 0 201.313 2.491 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CCCOc1ccc(OC)cc1 ZINC000769978037 585568454 /nfs/dbraw/zinc/56/84/54/585568454.db2.gz NWCXGBYUIXLZLZ-CYBMUJFWSA-N 1 0 247.338 2.418 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCC[C@@H](C)C1 ZINC000771445638 585594444 /nfs/dbraw/zinc/59/44/44/585594444.db2.gz DRQRMJDXTBKVTH-ZIAGYGMSSA-N 1 0 203.329 2.381 20 30 BEEDRO CC(C)CN[NH+]=Cc1ccc2c(c1)CCN2C ZINC000771567431 585596533 /nfs/dbraw/zinc/59/65/33/585596533.db2.gz PECQOKZTMMTNHE-UHFFFAOYSA-N 1 0 231.343 2.258 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C1CC1 ZINC000772382316 585613941 /nfs/dbraw/zinc/61/39/41/585613941.db2.gz PPMFKODKRTYZQG-OAHLLOKOSA-N 1 0 242.322 2.242 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=N[C@H]1CCCCC1(C)C ZINC000773126111 585632046 /nfs/dbraw/zinc/63/20/46/585632046.db2.gz TZPGQIYFDTZXIX-YPMHNXCESA-N 1 0 237.391 2.482 20 30 BEEDRO C#CCCCCC(=O)NCC[N@@H+](CC)C(C)C ZINC000773380062 585635676 /nfs/dbraw/zinc/63/56/76/585635676.db2.gz QDOCMWLCMWACCP-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C#N)cc1 ZINC000774167245 585652503 /nfs/dbraw/zinc/65/25/03/585652503.db2.gz VYRHIBWTUJGSLB-GJZGRUSLSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@H](C#N)CN[NH+]=C1CCCNc2ccccc21 ZINC000774395812 585657270 /nfs/dbraw/zinc/65/72/70/585657270.db2.gz TUSDWUOZJZCTSY-LLVKDONJSA-N 1 0 242.326 2.346 20 30 BEEDRO CCOCCO[NH+]=Cc1ccc2c(c1)CCN2C ZINC000774433771 585658764 /nfs/dbraw/zinc/65/87/64/585658764.db2.gz MRUVDTJMSFZXNI-UHFFFAOYSA-N 1 0 248.326 2.066 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C)c(OC)c1 ZINC000774859789 585667979 /nfs/dbraw/zinc/66/79/79/585667979.db2.gz TWOIHMYRLFFDLC-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000775183492 585673168 /nfs/dbraw/zinc/67/31/68/585673168.db2.gz NDVOTPVMFOEBNG-SECBINFHSA-N 1 0 223.703 2.499 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCO1 ZINC000775341362 585676104 /nfs/dbraw/zinc/67/61/04/585676104.db2.gz LXAISJZXDNUWPO-KGLIPLIRSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(F)c1)[C@@H]1CCCO1 ZINC000775341360 585676343 /nfs/dbraw/zinc/67/63/43/585676343.db2.gz LXAISJZXDNUWPO-KBPBESRZSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)c(C)c1)[C@@H]1CCCO1 ZINC000775351210 585676405 /nfs/dbraw/zinc/67/64/05/585676405.db2.gz SGTCCSPHEJPUNI-CABCVRRESA-N 1 0 247.313 2.405 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000775348738 585676431 /nfs/dbraw/zinc/67/64/31/585676431.db2.gz FNEOSVABLYBYEX-SNVBAGLBSA-N 1 0 230.311 2.042 20 30 BEEDRO C#CC[NH2+][C@H](c1ccccc1)C(C)(C)C(=O)OC ZINC000775552717 585679561 /nfs/dbraw/zinc/67/95/61/585679561.db2.gz KNABYZADAFBXAG-CYBMUJFWSA-N 1 0 245.322 2.150 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1cccs1)[C@@H]1CCCO1 ZINC000775571287 585680480 /nfs/dbraw/zinc/68/04/80/585680480.db2.gz DSVDOZOEMLYNBH-UBHSHLNASA-N 1 0 249.379 2.450 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1cncc(C)c1)[C@@H]1CCCO1 ZINC000775573683 585680823 /nfs/dbraw/zinc/68/08/23/585680823.db2.gz JBHBCQPGUQKQFS-SNPRPXQTSA-N 1 0 244.338 2.221 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1C)[C@@H]1CCCO1 ZINC000775794275 585685215 /nfs/dbraw/zinc/68/52/15/585685215.db2.gz ZFMIRGXRLSHTEO-CABCVRRESA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1ccc(C)cc1)[C@@H]1CCCO1 ZINC000775800468 585685581 /nfs/dbraw/zinc/68/55/81/585685581.db2.gz SGIGFYZDIMQVJI-CVEARBPZSA-N 1 0 243.350 2.308 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@H]1CCCO1 ZINC000775806699 585685642 /nfs/dbraw/zinc/68/56/42/585685642.db2.gz NDSUWGFYCUZEBH-HUUCEWRRSA-N 1 0 247.313 2.427 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC000776016606 585689134 /nfs/dbraw/zinc/68/91/34/585689134.db2.gz SBLFEYJEPWNKPC-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO NC(=[NH2+])NN=C(CC1CCC1)c1ccccc1 ZINC000776185375 585691962 /nfs/dbraw/zinc/69/19/62/585691962.db2.gz IZOXIFHMECVQKD-UHFFFAOYSA-N 1 0 230.315 2.064 20 30 BEEDRO N#Cc1ccnc(SCC[NH+]2CCCC2)c1 ZINC000776432485 585698835 /nfs/dbraw/zinc/69/88/35/585698835.db2.gz FWBNYWOIHUQLID-UHFFFAOYSA-N 1 0 233.340 2.141 20 30 BEEDRO NC(=[NH2+])N=NC1CC=C(c2ccc(F)cc2)CC1 ZINC000776764936 585703857 /nfs/dbraw/zinc/70/38/57/585703857.db2.gz XFDITXJUVAFOEO-UHFFFAOYSA-N 1 0 246.289 2.232 20 30 BEEDRO CC(CC[NH+](C)C)=NOCCC(F)(F)F ZINC000777458722 585712837 /nfs/dbraw/zinc/71/28/37/585712837.db2.gz KTDROVXRFFECBW-UHFFFAOYSA-N 1 0 226.242 2.283 20 30 BEEDRO CC(CCCC(C)C)=NNC1=[NH+][C@H](C)CN1 ZINC000779792210 585763636 /nfs/dbraw/zinc/76/36/36/585763636.db2.gz QCZKIKQAPPADNH-LLVKDONJSA-N 1 0 224.352 2.126 20 30 BEEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@H](C)c1ccccc1 ZINC000779792299 585763857 /nfs/dbraw/zinc/76/38/57/585763857.db2.gz KTABVFKPDPSTCZ-GHMZBOCLSA-N 1 0 244.342 2.103 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCCCCCC2)=[NH+]1 ZINC000779792645 585764200 /nfs/dbraw/zinc/76/42/00/585764200.db2.gz OPPGFGPASJNDKY-SNVBAGLBSA-N 1 0 222.336 2.024 20 30 BEEDRO C[C@@H]1CNC(NN=C[C@@H]2CCCC(C)(C)C2)=[NH+]1 ZINC000779799553 585764596 /nfs/dbraw/zinc/76/45/96/585764596.db2.gz VHMAQDTXTLWYAN-GHMZBOCLSA-N 1 0 236.363 2.126 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@H]1CCc2ccccc21 ZINC000780303517 585777477 /nfs/dbraw/zinc/77/74/77/585777477.db2.gz DWQJRIDQTBDBSJ-OAHLLOKOSA-N 1 0 243.350 2.298 20 30 BEEDRO C#CCCC[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000781350050 585795086 /nfs/dbraw/zinc/79/50/86/585795086.db2.gz KBNBSGOIARYAMD-UHFFFAOYSA-N 1 0 247.342 2.145 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C#N)cc1F ZINC000781423028 585795943 /nfs/dbraw/zinc/79/59/43/585795943.db2.gz OQMNABVFNABYSD-ZYHUDNBSSA-N 1 0 247.317 2.052 20 30 BEEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NO)cc1 ZINC000782170122 585808610 /nfs/dbraw/zinc/80/86/10/585808610.db2.gz XEUZFWQZVFXPBP-UHFFFAOYSA-N 1 0 236.315 2.038 20 30 BEEDRO CCCCCCC[N@@H+]1CC(=O)N(C)C[C@@H]1C ZINC000782595912 585821409 /nfs/dbraw/zinc/82/14/09/585821409.db2.gz MIDJWGKDJLXDQU-LBPRGKRZSA-N 1 0 226.364 2.119 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000784078314 585848806 /nfs/dbraw/zinc/84/88/06/585848806.db2.gz ALWSASJMUCEWFX-JTQLQIEISA-N 1 0 239.265 2.265 20 30 BEEDRO C[C@@H]1CCOCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000784265928 585853779 /nfs/dbraw/zinc/85/37/79/585853779.db2.gz BNWBDRKMJFNIRA-CYBMUJFWSA-N 1 0 244.338 2.363 20 30 BEEDRO C#CCCC[NH+]1CCC([C@H]2CCOC2)CC1 ZINC000784343950 585856353 /nfs/dbraw/zinc/85/63/53/585856353.db2.gz PCFIIYICBDZRFK-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CC2(O)CCCCC2)C1 ZINC000784456204 585860484 /nfs/dbraw/zinc/86/04/84/585860484.db2.gz ZNMGBDVSSPAJEI-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](C2(C)OCCO2)C1 ZINC000784576806 585863696 /nfs/dbraw/zinc/86/36/96/585863696.db2.gz BJWKYRHXMUJNQS-CYBMUJFWSA-N 1 0 239.359 2.428 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000785419548 585873016 /nfs/dbraw/zinc/87/30/16/585873016.db2.gz LDMFSFBHNLOICO-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000785546041 585875642 /nfs/dbraw/zinc/87/56/42/585875642.db2.gz KREGJEUERMSFRS-GDPRMGEGSA-N 1 0 217.740 2.220 20 30 BEEDRO CC(C)([NH2+]Cc1ccc(C#N)o1)C1CCOCC1 ZINC000785605084 585876534 /nfs/dbraw/zinc/87/65/34/585876534.db2.gz DHOZVKMLYKQTSQ-UHFFFAOYSA-N 1 0 248.326 2.446 20 30 BEEDRO C=C[C@H]1CCCCN1CC[NH+]1CCCC1 ZINC000785998176 585885140 /nfs/dbraw/zinc/88/51/40/585885140.db2.gz YBTSGZMEQSLIIG-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C1C[C@H]2C(=NNC3CCCCC3)CC[N@H+]2C1 ZINC000786042846 585885720 /nfs/dbraw/zinc/88/57/20/585885720.db2.gz BBGLJUNKQYGQCO-ZDUSSCGKSA-N 1 0 221.348 2.133 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)c1cccc(F)c1 ZINC000786443216 585891498 /nfs/dbraw/zinc/89/14/98/585891498.db2.gz ICJJRNSUKIHSHE-CYBMUJFWSA-N 1 0 223.291 2.367 20 30 BEEDRO C=CC[N@H+](C[C@@H](O)CC(F)(F)F)C(C)C ZINC000787182641 585902602 /nfs/dbraw/zinc/90/26/02/585902602.db2.gz DAVMZDMWSRLTGZ-VIFPVBQESA-N 1 0 225.254 2.196 20 30 BEEDRO C=CCCOCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000788683854 585929231 /nfs/dbraw/zinc/92/92/31/585929231.db2.gz AKLGTBNCOUCYBP-LLVKDONJSA-N 1 0 236.315 2.031 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC12CCCC2)[C@@H]1CCCO1 ZINC000788979427 585932905 /nfs/dbraw/zinc/93/29/05/585932905.db2.gz GHUZIPONCAGWKA-MELADBBJSA-N 1 0 233.355 2.480 20 30 BEEDRO CC[C@@H](C)NN=C1CC[N@H+](CC)C[C@H]1C ZINC000790181944 585959796 /nfs/dbraw/zinc/95/97/96/585959796.db2.gz HCMKFDKHPICYKO-GHMZBOCLSA-N 1 0 211.353 2.092 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805916230 585961026 /nfs/dbraw/zinc/96/10/26/585961026.db2.gz DOCUJTBKEIHJCD-NSHDSACASA-N 1 0 237.343 2.369 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000791568661 585984483 /nfs/dbraw/zinc/98/44/83/585984483.db2.gz XKYURBWDEPUGLQ-WDMOLILDSA-N 1 0 230.311 2.074 20 30 BEEDRO C#CCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H]1C ZINC000791580213 585984882 /nfs/dbraw/zinc/98/48/82/585984882.db2.gz XUFYSQPCKMBRCZ-RKDXNWHRSA-N 1 0 205.223 2.282 20 30 BEEDRO CCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000792207940 585998161 /nfs/dbraw/zinc/99/81/61/585998161.db2.gz BFWVXJCXNHGZGM-UHFFFAOYSA-N 1 0 242.366 2.066 20 30 BEEDRO C[C@@H](N=NC1CC[N@@H+]2CCC[C@H]12)C(C)(C)C ZINC000793112837 586010634 /nfs/dbraw/zinc/01/06/34/586010634.db2.gz XRUQGJFVDDQYRX-ZYHUDNBSSA-N 1 0 223.364 2.235 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)cn2)C1 ZINC000793154260 586011869 /nfs/dbraw/zinc/01/18/69/586011869.db2.gz WGKYHCSLBJXVFA-TZMCWYRMSA-N 1 0 245.326 2.000 20 30 BEEDRO CC(C)(C#N)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000793189423 586013678 /nfs/dbraw/zinc/01/36/78/586013678.db2.gz FXRRYHDRXIPTKF-UHFFFAOYSA-N 1 0 243.266 2.041 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)n(C)n1 ZINC000793565466 586023209 /nfs/dbraw/zinc/02/32/09/586023209.db2.gz LDOXDIIUCBZHER-NSHDSACASA-N 1 0 232.331 2.073 20 30 BEEDRO COCCCN[NH+]=C1CCCNc2ccccc21 ZINC000794541508 586043068 /nfs/dbraw/zinc/04/30/68/586043068.db2.gz PGBMZFKYBKBNDT-UHFFFAOYSA-N 1 0 247.342 2.223 20 30 BEEDRO CSCCON=C1CCC[C@H]([NH+](C)C)C1 ZINC000794572142 586044288 /nfs/dbraw/zinc/04/42/88/586044288.db2.gz BGOHMLRRUWKALA-NSHDSACASA-N 1 0 230.377 2.226 20 30 BEEDRO Clc1cccc(CC=[NH+]n2cnnc2)c1 ZINC000794856598 586051593 /nfs/dbraw/zinc/05/15/93/586051593.db2.gz KNISRTMQTRBHKU-UHFFFAOYSA-N 1 0 220.663 2.008 20 30 BEEDRO C=CCNN=C(C)CN1Cc2ccccc2C1 ZINC000795004174 586064044 /nfs/dbraw/zinc/06/40/44/586064044.db2.gz WAJAYZZBHJRRDS-UHFFFAOYSA-N 1 0 229.327 2.154 20 30 BEEDRO CCCCCCC[N@H+](CCC)CC(N)=O ZINC000795512623 586082234 /nfs/dbraw/zinc/08/22/34/586082234.db2.gz BIRKPYYKBABWFZ-UHFFFAOYSA-N 1 0 214.353 2.154 20 30 BEEDRO C=CC[C@H](C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795939449 586094771 /nfs/dbraw/zinc/09/47/71/586094771.db2.gz QHAUTIUUTABVJX-LBPRGKRZSA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCCC[NH2+]Cc1c(OC)cccc1OC ZINC000796315794 586100510 /nfs/dbraw/zinc/10/05/10/586100510.db2.gz NDUQOPABXXGCIN-UHFFFAOYSA-N 1 0 233.311 2.207 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1CC(C)(C)C1 ZINC000796988044 586118525 /nfs/dbraw/zinc/11/85/25/586118525.db2.gz GLUNVHPWTDHQNU-ZDUSSCGKSA-N 1 0 249.354 2.063 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000797878138 586133635 /nfs/dbraw/zinc/13/36/35/586133635.db2.gz NLNCVZGBLFALFY-UKRRQHHQSA-N 1 0 247.338 2.463 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799190592 586166079 /nfs/dbraw/zinc/16/60/79/586166079.db2.gz RMFHSUHAQIAJQC-GFCCVEGCSA-N 1 0 202.301 2.447 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](c2ccccn2)C1 ZINC000799193394 586166685 /nfs/dbraw/zinc/16/66/85/586166685.db2.gz NIVJTKHIQWGNNT-ZDUSSCGKSA-N 1 0 214.312 2.284 20 30 BEEDRO Cc1noc([C@@H](C)[NH2+]CC2CCC(C#N)CC2)n1 ZINC000799598039 586186309 /nfs/dbraw/zinc/18/63/09/586186309.db2.gz ROJVBUFKJVIFQG-OIKLOGQESA-N 1 0 248.330 2.359 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCNc2ccccc2)C1 ZINC000799719672 586193958 /nfs/dbraw/zinc/19/39/58/586193958.db2.gz UQMKOOCDMXGCIJ-OCCSQVGLSA-N 1 0 229.327 2.380 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000859381199 589034778 /nfs/dbraw/zinc/03/47/78/589034778.db2.gz IPGQFWDDTYBUAM-AWEZNQCLSA-N 1 0 237.343 2.206 20 30 BEEDRO C#CC[NH+]1CCC(Oc2cccc(F)c2)CC1 ZINC000859398349 589035379 /nfs/dbraw/zinc/03/53/79/589035379.db2.gz HROJFMGHEWNNOZ-UHFFFAOYSA-N 1 0 233.286 2.302 20 30 BEEDRO CCCCCCC[N@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000800480527 586222117 /nfs/dbraw/zinc/22/21/17/586222117.db2.gz VKVMKNUPENBFDU-GFCCVEGCSA-N 1 0 226.364 2.119 20 30 BEEDRO C[C@H](C#N)OCC[N@H+]1C[C@@H](C)C(F)(F)[C@@H](C)C1 ZINC000859415157 589035900 /nfs/dbraw/zinc/03/59/00/589035900.db2.gz NYEBBVKTOFEBQO-OUAUKWLOSA-N 1 0 246.301 2.138 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC000859445626 589037498 /nfs/dbraw/zinc/03/74/98/589037498.db2.gz METQVFLCPGKUEM-LLVKDONJSA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@H]1CC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)C1 ZINC000859445104 589037587 /nfs/dbraw/zinc/03/75/87/589037587.db2.gz BDUTZQHVAJQQTN-QWHCGFSZSA-N 1 0 249.354 2.370 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)OCC(C)C)C1 ZINC000859445328 589037676 /nfs/dbraw/zinc/03/76/76/589037676.db2.gz GHQSXELFLSQKBZ-LBPRGKRZSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000859446070 589037705 /nfs/dbraw/zinc/03/77/05/589037705.db2.gz UJEVMQACHFWASS-NWDGAFQWSA-N 1 0 225.332 2.036 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nn(CC)nc2C)C1 ZINC000859445677 589037739 /nfs/dbraw/zinc/03/77/39/589037739.db2.gz MXZKEENEBYQWQK-GFCCVEGCSA-N 1 0 234.347 2.004 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC[C@H]2COC(C)(C)O2)C1 ZINC000859445928 589037884 /nfs/dbraw/zinc/03/78/84/589037884.db2.gz RQEKJUCTCARGOQ-OLZOCXBDSA-N 1 0 239.359 2.426 20 30 BEEDRO C#CCOC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000801868183 586276129 /nfs/dbraw/zinc/27/61/29/586276129.db2.gz LEZXPNIDEDXQPY-UHFFFAOYSA-N 1 0 243.306 2.072 20 30 BEEDRO C=CCCCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801872313 586276133 /nfs/dbraw/zinc/27/61/33/586276133.db2.gz OQTHXRFQQXNULV-UHFFFAOYSA-N 1 0 237.343 2.370 20 30 BEEDRO CC(C)[N@H+](CCO[C@@H](C)C#N)Cc1ccco1 ZINC000801913813 586276448 /nfs/dbraw/zinc/27/64/48/586276448.db2.gz NBIFSJHPBKSWQC-LBPRGKRZSA-N 1 0 236.315 2.419 20 30 BEEDRO Cc1cccc2c1CC[N@@H+](CCO[C@H](C)C#N)C2 ZINC000801918618 586276781 /nfs/dbraw/zinc/27/67/81/586276781.db2.gz UBCVHKHVKHWSGW-CYBMUJFWSA-N 1 0 244.338 2.282 20 30 BEEDRO C=CC[N@H+](CCO[C@H](C)C#N)CCc1ccco1 ZINC000801938333 586279666 /nfs/dbraw/zinc/27/96/66/586279666.db2.gz DWFLMPVOGFQPFY-CYBMUJFWSA-N 1 0 248.326 2.239 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000801937511 586280021 /nfs/dbraw/zinc/28/00/21/586280021.db2.gz OXYBCRQADHDYIS-RYUDHWBXSA-N 1 0 243.310 2.138 20 30 BEEDRO Cc1ccc(C(C)(C)[NH2+]CCO[C@H](C)C#N)cn1 ZINC000801940953 586280969 /nfs/dbraw/zinc/28/09/69/586280969.db2.gz GRTMYJYCQAMURI-GFCCVEGCSA-N 1 0 247.342 2.143 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCC(C)(C)C1 ZINC000801953357 586283820 /nfs/dbraw/zinc/28/38/20/586283820.db2.gz MLZZDFLUHHBXTI-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000801953354 586284087 /nfs/dbraw/zinc/28/40/87/586284087.db2.gz MLZZDFLUHHBXTI-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@@H]1C[C@H]1c1ccccc1 ZINC000802703438 586309728 /nfs/dbraw/zinc/30/97/28/586309728.db2.gz DIQNZSGYMQWBDR-STQMWFEESA-N 1 0 226.283 2.306 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH+](C2CC2)C2CC2)cc1 ZINC000859623764 589050015 /nfs/dbraw/zinc/05/00/15/589050015.db2.gz SGLYKIDLBJXHGN-HNNXBMFYSA-N 1 0 242.322 2.218 20 30 BEEDRO CC(C)[N@H+]1CC(N=NCC2CCCC2)[C@@H](C)C1 ZINC000808007516 586458963 /nfs/dbraw/zinc/45/89/63/586458963.db2.gz CKBDFHQOAKHFRX-LBPRGKRZSA-N 1 0 237.391 2.482 20 30 BEEDRO C=C(CNc1cc(C)[nH+]c(N)n1)c1ccccc1 ZINC000808074152 586461025 /nfs/dbraw/zinc/46/10/25/586461025.db2.gz ZTBIPAOGJIWIDC-UHFFFAOYSA-N 1 0 240.310 2.493 20 30 BEEDRO C=CCC[N@@H+](C)CN1C[C@@](C)(CC)CC1=O ZINC000808180304 586467151 /nfs/dbraw/zinc/46/71/51/586467151.db2.gz XKKASCQSUUOUFL-ZDUSSCGKSA-N 1 0 224.348 2.100 20 30 BEEDRO C=C(C[NH2+]Cc1cn(C)cn1)c1ccccc1 ZINC000808384046 586470006 /nfs/dbraw/zinc/47/00/06/586470006.db2.gz ZPCYFXXWGCVIQI-UHFFFAOYSA-N 1 0 227.311 2.223 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H](O)c1ccccc1 ZINC000808722092 586484326 /nfs/dbraw/zinc/48/43/26/586484326.db2.gz YUSILXHDYYPZLC-DDHJSBNISA-N 1 0 244.338 2.390 20 30 BEEDRO C=CC1CC[NH+](CCC(=O)C(C)C)CC1 ZINC000808726007 586484692 /nfs/dbraw/zinc/48/46/92/586484692.db2.gz NHEGRYDMTOHMHP-UHFFFAOYSA-N 1 0 209.333 2.500 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCO)CCCC)cc1 ZINC000809537931 586506213 /nfs/dbraw/zinc/50/62/13/586506213.db2.gz HAUCGWQHJRFKOV-UHFFFAOYSA-N 1 0 231.339 2.262 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000809569933 586506864 /nfs/dbraw/zinc/50/68/64/586506864.db2.gz HGMMZWGJXLHFDW-GHMZBOCLSA-N 1 0 236.340 2.160 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@@H](c2ccco2)C1 ZINC000809576993 586507892 /nfs/dbraw/zinc/50/78/92/586507892.db2.gz ITAFXRHAZVZGPC-JHJVBQTASA-N 1 0 248.326 2.327 20 30 BEEDRO C#Cc1ccc(C[N@@H+](CCCCO)C2CC2)cc1 ZINC000809576340 586508243 /nfs/dbraw/zinc/50/82/43/586508243.db2.gz TYYBQXOXDLBSSM-UHFFFAOYSA-N 1 0 243.350 2.405 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000809604959 586509159 /nfs/dbraw/zinc/50/91/59/586509159.db2.gz WBARPZKDOYBARR-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(CNCC[N@@H+](C)[C@@H](C)CC)cc1 ZINC000809613133 586509566 /nfs/dbraw/zinc/50/95/66/586509566.db2.gz LQRPBGTWQHEPSE-AWEZNQCLSA-N 1 0 244.382 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCN2CCCCC2)cc1 ZINC000809632272 586509669 /nfs/dbraw/zinc/50/96/69/586509669.db2.gz NGEBTHKKQNQAAE-UHFFFAOYSA-N 1 0 242.366 2.243 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccc(F)cn2)cc1 ZINC000809628979 586509886 /nfs/dbraw/zinc/50/98/86/586509886.db2.gz YKDONIPFOCHTOW-UHFFFAOYSA-N 1 0 240.281 2.492 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOCC(=C)C)cc1 ZINC000809626789 586510136 /nfs/dbraw/zinc/51/01/36/586510136.db2.gz KXTVAHXSLWHTAO-UHFFFAOYSA-N 1 0 229.323 2.350 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@]2(C)CCCOC2)cc1 ZINC000809634619 586510399 /nfs/dbraw/zinc/51/03/99/586510399.db2.gz IVMFERLUGBLYTR-OAHLLOKOSA-N 1 0 229.323 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]C2(CO)CCCC2)cc1 ZINC000809634058 586510413 /nfs/dbraw/zinc/51/04/13/586510413.db2.gz QCCYHFNDSQMMIN-UHFFFAOYSA-N 1 0 229.323 2.063 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000809638282 586510420 /nfs/dbraw/zinc/51/04/20/586510420.db2.gz FCGILFCNTBTLKY-OAHLLOKOSA-N 1 0 229.323 2.184 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)CCc1n[nH]c2ccccc21 ZINC000809683717 586511526 /nfs/dbraw/zinc/51/15/26/586511526.db2.gz LTOUTXYXKIRDEE-NEPJUHHUSA-N 1 0 241.338 2.495 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000809684042 586512278 /nfs/dbraw/zinc/51/22/78/586512278.db2.gz YNSONEMQKNEZSK-BPOWMSRESA-N 1 0 230.267 2.219 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cccnc1C ZINC000809989462 586529190 /nfs/dbraw/zinc/52/91/90/586529190.db2.gz XFKXBHXZWNOGGF-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC(C)(C2CC2)CC1 ZINC000810065839 586533384 /nfs/dbraw/zinc/53/33/84/586533384.db2.gz FBMCOTDXWBBJCC-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CCCCC(=O)O[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810838511 586547810 /nfs/dbraw/zinc/54/78/10/586547810.db2.gz QBGUUAZHULOAMH-ZIAGYGMSSA-N 1 0 249.354 2.350 20 30 BEEDRO CC(C)[N@H+]1CC(=NOC2CCC2)[C@H](C)C1 ZINC000812238443 586572130 /nfs/dbraw/zinc/57/21/30/586572130.db2.gz VDQAQOZSEHLBHZ-SNVBAGLBSA-N 1 0 210.321 2.272 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCCO1 ZINC000812835145 586587911 /nfs/dbraw/zinc/58/79/11/586587911.db2.gz NPIQQAOEGWTTMR-QKPAOTATSA-N 1 0 241.334 2.313 20 30 BEEDRO C(=[NH+]OCC1CC1)c1ccc(N2CCCC2)nc1 ZINC000814241168 586619074 /nfs/dbraw/zinc/61/90/74/586619074.db2.gz DZABENQWVLUCMD-UHFFFAOYSA-N 1 0 245.326 2.442 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000814629672 586626750 /nfs/dbraw/zinc/62/67/50/586626750.db2.gz PTPRQTOBYQLNNC-GJZGRUSLSA-N 1 0 231.339 2.358 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1 ZINC000814629671 586626803 /nfs/dbraw/zinc/62/68/03/586626803.db2.gz PTPRQTOBYQLNNC-CABCVRRESA-N 1 0 231.339 2.358 20 30 BEEDRO Fc1cc(F)cc(C2CC(=[NH+]n3cnnc3)C2)c1 ZINC000814683415 586628953 /nfs/dbraw/zinc/62/89/53/586628953.db2.gz ZAVZAEVKSYGHSF-UHFFFAOYSA-N 1 0 248.236 2.338 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(F)c2ccccc12 ZINC000814796811 586634959 /nfs/dbraw/zinc/63/49/59/586634959.db2.gz QRRJOCNZPCSQCF-UHFFFAOYSA-N 1 0 244.273 2.186 20 30 BEEDRO CCC(CC)NN=C(C)C1CC[NH+](C)CC1 ZINC000814851409 586638952 /nfs/dbraw/zinc/63/89/52/586638952.db2.gz MSBDJRXHULYAEG-UHFFFAOYSA-N 1 0 225.380 2.482 20 30 BEEDRO CCC(=[NH+]N[C@@H](C)CC#N)c1cccc(N)c1 ZINC000814881111 586641951 /nfs/dbraw/zinc/64/19/51/586641951.db2.gz ITAHDVULPNAJKI-JTQLQIEISA-N 1 0 230.315 2.275 20 30 BEEDRO C[C@H](C#N)CN[NH+]=C1CCCc2ccc(N)cc21 ZINC000814881416 586642229 /nfs/dbraw/zinc/64/22/29/586642229.db2.gz OFCRPAWOTIXPQS-SNVBAGLBSA-N 1 0 242.326 2.058 20 30 BEEDRO C[C@@H]1CNC(NN=C2CCCC23CCCC3)=[NH+]1 ZINC000814897203 586644973 /nfs/dbraw/zinc/64/49/73/586644973.db2.gz GWIHNHJYERMMAF-SNVBAGLBSA-N 1 0 234.347 2.024 20 30 BEEDRO CC(=NOC[C@H]1CCOC1)c1ccc(C)nc1C ZINC000814911870 586649168 /nfs/dbraw/zinc/64/91/68/586649168.db2.gz FWRFCHANBMCYKF-ZDUSSCGKSA-N 1 0 248.326 2.476 20 30 BEEDRO C#CCON=C(C)c1ccc(C[NH+](C)C)cc1 ZINC000814936137 586654645 /nfs/dbraw/zinc/65/46/45/586654645.db2.gz AQTLQSNGDBMNRV-UHFFFAOYSA-N 1 0 230.311 2.122 20 30 BEEDRO C=CCOCCN1CCC[C@H]1c1cc(C)on1 ZINC000815011595 586664226 /nfs/dbraw/zinc/66/42/26/586664226.db2.gz SIOLMFBWABPNEJ-ZDUSSCGKSA-N 1 0 236.315 2.323 20 30 BEEDRO N#CCCOCC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000815082677 586665674 /nfs/dbraw/zinc/66/56/74/586665674.db2.gz BFQKPALURKSZGA-UHFFFAOYSA-N 1 0 248.301 2.335 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc2c(c1)COC2 ZINC000815282323 586676882 /nfs/dbraw/zinc/67/68/82/586676882.db2.gz RBDDJDATWGKMLZ-UHFFFAOYSA-N 1 0 215.296 2.172 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](O)c1ccc(Cl)cc1 ZINC000815287089 586677115 /nfs/dbraw/zinc/67/71/15/586677115.db2.gz QMCZPADNWRXTNL-ZDUSSCGKSA-N 1 0 237.730 2.329 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](O)c1ccccc1Cl ZINC000815285054 586677419 /nfs/dbraw/zinc/67/74/19/586677419.db2.gz BMBIKEWUGZUHMX-ZDUSSCGKSA-N 1 0 237.730 2.329 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)C(C)(C)C ZINC000817087555 586781210 /nfs/dbraw/zinc/78/12/10/586781210.db2.gz LFNVLHIOTDUZDL-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CC[C@H](CC)CC1 ZINC000817215949 586786470 /nfs/dbraw/zinc/78/64/70/586786470.db2.gz CGQJVQHQYOKIRO-JOCQHMNTSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]1COCCN1Cc1cccc(C2CC2)c1 ZINC000817409239 586801091 /nfs/dbraw/zinc/80/10/91/586801091.db2.gz FJUTWIAUPIOFDU-INIZCTEOSA-N 1 0 241.334 2.398 20 30 BEEDRO C#C[C@@H]1COCCN1Cc1cccc(C2CC2)c1 ZINC000817409240 586801227 /nfs/dbraw/zinc/80/12/27/586801227.db2.gz FJUTWIAUPIOFDU-MRXNPFEDSA-N 1 0 241.334 2.398 20 30 BEEDRO C#Cc1ccc(CN(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000817417652 586803414 /nfs/dbraw/zinc/80/34/14/586803414.db2.gz QZOJOJYTCJLXPE-INIZCTEOSA-N 1 0 242.366 2.194 20 30 BEEDRO C=CC[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817583729 586811523 /nfs/dbraw/zinc/81/15/23/586811523.db2.gz HQJIIXIECWYCGT-LBPRGKRZSA-N 1 0 202.301 2.105 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)C1(OC)CCCC1 ZINC000817577546 586812585 /nfs/dbraw/zinc/81/25/85/586812585.db2.gz AWRDGGIEFAQWMN-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000817583632 586812694 /nfs/dbraw/zinc/81/26/94/586812694.db2.gz FQMIEKHVEZGDDQ-ZDUSSCGKSA-N 1 0 216.328 2.495 20 30 BEEDRO C=C(Cl)CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000817903583 586835898 /nfs/dbraw/zinc/83/58/98/586835898.db2.gz FWFVEAOWHMVDDS-YPMHNXCESA-N 1 0 238.762 2.287 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817956765 586850323 /nfs/dbraw/zinc/85/03/23/586850323.db2.gz CICYKQYNOXTWJJ-DZGCQCFKSA-N 1 0 243.354 2.483 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCC[C@H]21 ZINC000859955592 589073637 /nfs/dbraw/zinc/07/36/37/589073637.db2.gz WJNMDEBTOMJZIH-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000818344872 586887431 /nfs/dbraw/zinc/88/74/31/586887431.db2.gz HQFSIEDPXYVILZ-SNVBAGLBSA-N 1 0 222.336 2.051 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nn(CC)nc1C ZINC000818344998 586887615 /nfs/dbraw/zinc/88/76/15/586887615.db2.gz RYOZJTIZMKXSLF-MNOVXSKESA-N 1 0 236.363 2.297 20 30 BEEDRO CCCCCCC[C@H](C)CNC(=O)[C@H]1CC[NH2+]1 ZINC000818482787 586894243 /nfs/dbraw/zinc/89/42/43/586894243.db2.gz NGGPHNIOUPUDPJ-QWHCGFSZSA-N 1 0 240.391 2.461 20 30 BEEDRO N#CCCCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000819016492 586923376 /nfs/dbraw/zinc/92/33/76/586923376.db2.gz MKVQZEWLGFZASI-CYBMUJFWSA-N 1 0 236.290 2.143 20 30 BEEDRO N#CCCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000819016757 586924304 /nfs/dbraw/zinc/92/43/04/586924304.db2.gz TUMCLPXAYQWCCA-ZDUSSCGKSA-N 1 0 236.290 2.143 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819188132 586936706 /nfs/dbraw/zinc/93/67/06/586936706.db2.gz CHVXRBZEQKCCHP-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1ccccc1C ZINC000819213417 586939427 /nfs/dbraw/zinc/93/94/27/586939427.db2.gz MRGVQXIOGQGBJG-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1ccns1 ZINC000860055125 589076559 /nfs/dbraw/zinc/07/65/59/589076559.db2.gz SAMSBAOCYDMSDQ-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+]CC2(CC#N)CC2)cc1 ZINC000819280345 586947559 /nfs/dbraw/zinc/94/75/59/586947559.db2.gz CMJMKTJBINXOPI-CQSZACIVSA-N 1 0 244.338 2.312 20 30 BEEDRO N#CCC1(C[NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000819281520 586947792 /nfs/dbraw/zinc/94/77/92/586947792.db2.gz VQPNSPPPKYJSMA-ZDUSSCGKSA-N 1 0 248.301 2.143 20 30 BEEDRO C[C@@]1(C[NH2+]CCC#N)CC1(Cl)Cl ZINC000819346337 586955288 /nfs/dbraw/zinc/95/52/88/586955288.db2.gz FGUIVBRSJXBMMC-ZETCQYMHSA-N 1 0 207.104 2.074 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CCC#N ZINC000819377919 586959079 /nfs/dbraw/zinc/95/90/79/586959079.db2.gz WKRCPAJSEGPTMF-CYBMUJFWSA-N 1 0 245.370 2.495 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000819383713 586959487 /nfs/dbraw/zinc/95/94/87/586959487.db2.gz MOBVGYJJCDYSAM-IACUBPJLSA-N 1 0 230.311 2.002 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000819383765 586959632 /nfs/dbraw/zinc/95/96/32/586959632.db2.gz OBBGPAYXDWCHMA-MISXGVKJSA-N 1 0 248.301 2.141 20 30 BEEDRO C[C@H](NN=C1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000819814624 586998425 /nfs/dbraw/zinc/99/84/25/586998425.db2.gz CTWRZWUQDUQWCP-NEPJUHHUSA-N 1 0 246.358 2.202 20 30 BEEDRO C[C@H](NN=C1CC[N@H+](C)[C@@H](C)C1)c1ccncc1 ZINC000819814626 586998571 /nfs/dbraw/zinc/99/85/71/586998571.db2.gz CTWRZWUQDUQWCP-RYUDHWBXSA-N 1 0 246.358 2.202 20 30 BEEDRO C[C@H](C#N)COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821626780 587133126 /nfs/dbraw/zinc/13/31/26/587133126.db2.gz ZBHBKWIJFUVVDC-LLVKDONJSA-N 1 0 246.310 2.065 20 30 BEEDRO C#CCCC[NH+]1[C@@H](C)CC(C(=O)OC)C[C@@H]1C ZINC000860186418 589088298 /nfs/dbraw/zinc/08/82/98/589088298.db2.gz BFUIFCVVNNHQPH-RYUDHWBXSA-N 1 0 237.343 2.062 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2CCC[NH2+]C2)n1 ZINC000823247507 587210970 /nfs/dbraw/zinc/21/09/70/587210970.db2.gz GNRSWLCBJDEMSH-SNVBAGLBSA-N 1 0 235.331 2.390 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H](C)[C@@H](C)[NH3+])n1 ZINC000823248290 587211185 /nfs/dbraw/zinc/21/11/85/587211185.db2.gz NWXZIFGRBRLYSL-RKDXNWHRSA-N 1 0 223.320 2.374 20 30 BEEDRO C=CCC(C)(C)c1noc(CC[C@@H](C)[NH3+])n1 ZINC000823248029 587211504 /nfs/dbraw/zinc/21/15/04/587211504.db2.gz MVOXXLVORWHGBT-SECBINFHSA-N 1 0 223.320 2.203 20 30 BEEDRO C=CCCc1noc([C@H](C(C)C)[C@H](C)[NH3+])n1 ZINC000823263543 587212301 /nfs/dbraw/zinc/21/23/01/587212301.db2.gz JEARNHVIZYFHCD-GXSJLCMTSA-N 1 0 223.320 2.275 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000823606931 587232661 /nfs/dbraw/zinc/23/26/61/587232661.db2.gz XHLDGLKRDUSFCF-OAHLLOKOSA-N 1 0 231.339 2.239 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000823881620 587244212 /nfs/dbraw/zinc/24/42/12/587244212.db2.gz AJGIOMFOBSGJJW-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C1CN(C(=O)OC)C1 ZINC000824012091 587248076 /nfs/dbraw/zinc/24/80/76/587248076.db2.gz OJNWCZDWZVJBHV-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824084141 587254265 /nfs/dbraw/zinc/25/42/65/587254265.db2.gz FAFCAAZFPBFDCM-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCCO1 ZINC000824195322 587259790 /nfs/dbraw/zinc/25/97/90/587259790.db2.gz AWEXPIQGSURBSC-RAFNIBEQSA-N 1 0 246.354 2.229 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@@H]1CCCO1 ZINC000824195319 587260013 /nfs/dbraw/zinc/26/00/13/587260013.db2.gz AWEXPIQGSURBSC-FUUBYGMNSA-N 1 0 246.354 2.229 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824525741 587273007 /nfs/dbraw/zinc/27/30/07/587273007.db2.gz DANPZGZLAVWZJQ-GHMZBOCLSA-N 1 0 205.305 2.272 20 30 BEEDRO CCCCCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000824844409 587289982 /nfs/dbraw/zinc/28/99/82/587289982.db2.gz BBYHEVLQDDTJOQ-UHFFFAOYSA-N 1 0 240.391 2.415 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000824958243 587295151 /nfs/dbraw/zinc/29/51/51/587295151.db2.gz TUUCYDKKJKTIMR-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(O)cccc1OC ZINC000825221036 587309696 /nfs/dbraw/zinc/30/96/96/587309696.db2.gz FJNRLXJNUJYKOD-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000825226163 587310080 /nfs/dbraw/zinc/31/00/80/587310080.db2.gz DYTPMGOZOBNMNC-WFASDCNBSA-N 1 0 229.323 2.183 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCSC2)c1 ZINC000825225911 587310327 /nfs/dbraw/zinc/31/03/27/587310327.db2.gz BEGYMRYEVBFZRL-ZDUSSCGKSA-N 1 0 217.337 2.263 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000825226752 587310376 /nfs/dbraw/zinc/31/03/76/587310376.db2.gz LMSYUKHINFHHAJ-ZDUSSCGKSA-N 1 0 239.322 2.043 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c1 ZINC000825227631 587310519 /nfs/dbraw/zinc/31/05/19/587310519.db2.gz VVXMBHFAHDTGLF-YWPYICTPSA-N 1 0 229.323 2.323 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000825625113 587327589 /nfs/dbraw/zinc/32/75/89/587327589.db2.gz GNEIWJUVSNFGDG-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC000825878239 587343534 /nfs/dbraw/zinc/34/35/34/587343534.db2.gz GQCXARBRDHNYQH-NEPJUHHUSA-N 1 0 239.359 2.356 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H](C)CSCCF ZINC000825878175 587343557 /nfs/dbraw/zinc/34/35/57/587343557.db2.gz DONICKFQTJAFGB-NXEZZACHSA-N 1 0 203.326 2.079 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000826535270 587354022 /nfs/dbraw/zinc/35/40/22/587354022.db2.gz VAKMBYUDYHSHNK-ZDUSSCGKSA-N 1 0 243.354 2.138 20 30 BEEDRO N#Cc1ccc(CC[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000826838235 587363917 /nfs/dbraw/zinc/36/39/17/587363917.db2.gz GDUMBPZJUPHWMM-HNNXBMFYSA-N 1 0 242.322 2.383 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cnccn2)C1 ZINC000826948139 587366576 /nfs/dbraw/zinc/36/65/76/587366576.db2.gz WCMLMTLODPJUDS-GFCCVEGCSA-N 1 0 217.316 2.265 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)cc1 ZINC000827281070 587375362 /nfs/dbraw/zinc/37/53/62/587375362.db2.gz IEVQWWAQPQZZEC-JKSUJKDBSA-N 1 0 241.334 2.136 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)(C)C)C1CCOCC1 ZINC000827560189 587388023 /nfs/dbraw/zinc/38/80/23/587388023.db2.gz MNRVBYMTUWAJSV-ZDUSSCGKSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)C(C)C)C1CCOCC1 ZINC000827564432 587388279 /nfs/dbraw/zinc/38/82/79/587388279.db2.gz BNJXPMRUANDQHX-AAEUAGOBSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](C)CCC)C1CCOCC1 ZINC000827564808 587388361 /nfs/dbraw/zinc/38/83/61/587388361.db2.gz GMIQDYFLUJKUMB-TZMCWYRMSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccs1)C1CCOCC1 ZINC000827569373 587388731 /nfs/dbraw/zinc/38/87/31/587388731.db2.gz ADVPEZLQNFTANZ-CYBMUJFWSA-N 1 0 235.352 2.266 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CC(C)C)C1CCOCC1 ZINC000827566044 587389019 /nfs/dbraw/zinc/38/90/19/587389019.db2.gz RFOLXSXODROMGF-TZMCWYRMSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCC=C)C1CCOCC1 ZINC000827565360 587389062 /nfs/dbraw/zinc/38/90/62/587389062.db2.gz LHWGQZWPYCIOOC-OCCSQVGLSA-N 1 0 221.344 2.359 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(F)c1)C1CCOCC1 ZINC000827570353 587389309 /nfs/dbraw/zinc/38/93/09/587389309.db2.gz MXLBOFBLGPKFJD-HNNXBMFYSA-N 1 0 247.313 2.344 20 30 BEEDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(C#N)C2)c1 ZINC000827648526 587394166 /nfs/dbraw/zinc/39/41/66/587394166.db2.gz AOGMBBANRVNZHJ-CQSZACIVSA-N 1 0 230.311 2.436 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000827661934 587395129 /nfs/dbraw/zinc/39/51/29/587395129.db2.gz WNUMBNHUZYMCGE-CYBMUJFWSA-N 1 0 239.359 2.428 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)C2(CO)CCC2)cc1 ZINC000827903472 587408988 /nfs/dbraw/zinc/40/89/88/587408988.db2.gz ICPRGTXRBUKMNR-UHFFFAOYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#CCN(C[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC000828891520 587469142 /nfs/dbraw/zinc/46/91/42/587469142.db2.gz RDHNLWDJRZOBNU-OAHLLOKOSA-N 1 0 234.387 2.347 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)[C@@H]1CCCO1 ZINC000828952575 587475016 /nfs/dbraw/zinc/47/50/16/587475016.db2.gz ARGTUEGTKWQYDJ-WOPDTQHZSA-N 1 0 243.297 2.192 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@]12CCOC2=O ZINC000828987653 587477776 /nfs/dbraw/zinc/47/77/76/587477776.db2.gz IVCKOHBEMNVGHP-CYBMUJFWSA-N 1 0 223.316 2.124 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](C[C@H]2CCCCO2)C1 ZINC000829768495 587514749 /nfs/dbraw/zinc/51/47/49/587514749.db2.gz DUVNYPKGLBJMKI-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccc2)C1 ZINC000829774369 587515197 /nfs/dbraw/zinc/51/51/97/587515197.db2.gz PKMRMEHZODAIAL-ZBFHGGJFSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000829779417 587515830 /nfs/dbraw/zinc/51/58/30/587515830.db2.gz UDNCPTPPMNLTCQ-CQSZACIVSA-N 1 0 245.370 2.088 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)CCOC)C1 ZINC000829784446 587516116 /nfs/dbraw/zinc/51/61/16/587516116.db2.gz KGTLAFMXZDPGTJ-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)CCC=C)C1 ZINC000829788807 587516166 /nfs/dbraw/zinc/51/61/66/587516166.db2.gz HDXMRRCJWBIWLJ-KGLIPLIRSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)OCCC)C1 ZINC000829784901 587516280 /nfs/dbraw/zinc/51/62/80/587516280.db2.gz OBAWBBPJXLXTNY-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCSC)C1 ZINC000829784437 587516307 /nfs/dbraw/zinc/51/63/07/587516307.db2.gz KFIDWJZGORYQLK-LBPRGKRZSA-N 1 0 211.374 2.475 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000829810914 587518248 /nfs/dbraw/zinc/51/82/48/587518248.db2.gz WFUSXYPPUUOCRM-AWEZNQCLSA-N 1 0 243.350 2.414 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CC[C@@H](C)O2)C1 ZINC000829810220 587518418 /nfs/dbraw/zinc/51/84/18/587518418.db2.gz NANUPDQUTYCFMH-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CCCC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000830334898 587546301 /nfs/dbraw/zinc/54/63/01/587546301.db2.gz PQLQOFRTZWWCEQ-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO C#CC1CC[NH+](CCc2ccncc2C)CC1 ZINC000830350373 587546790 /nfs/dbraw/zinc/54/67/90/587546790.db2.gz AYWQQOMWDADLMZ-UHFFFAOYSA-N 1 0 228.339 2.278 20 30 BEEDRO C#CC1CC[NH+](CCC(=O)C(C)(C)C)CC1 ZINC000830345810 587546951 /nfs/dbraw/zinc/54/69/51/587546951.db2.gz UGCJXTAXDXBXAX-UHFFFAOYSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000830345655 587547111 /nfs/dbraw/zinc/54/71/11/587547111.db2.gz LVRJHQOBGPRUTK-NSHDSACASA-N 1 0 218.300 2.389 20 30 BEEDRO C#CC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000830350372 587547149 /nfs/dbraw/zinc/54/71/49/587547149.db2.gz AWOQADNGUUIAFN-UHFFFAOYSA-N 1 0 219.328 2.091 20 30 BEEDRO C#CC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000830350663 587547271 /nfs/dbraw/zinc/54/72/71/587547271.db2.gz FPFXTNBWFIOVPC-MRXNPFEDSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CCCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000830355324 587547682 /nfs/dbraw/zinc/54/76/82/587547682.db2.gz GMRUKDBJGNKRAE-AWEZNQCLSA-N 1 0 235.302 2.252 20 30 BEEDRO C#CCCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000830603289 587559750 /nfs/dbraw/zinc/55/97/50/587559750.db2.gz NLQRENOUJQRQBR-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831010605 587582557 /nfs/dbraw/zinc/58/25/57/587582557.db2.gz YABZSVAXINBILT-QMIVOQANSA-N 1 0 246.354 2.059 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000831539723 587617784 /nfs/dbraw/zinc/61/77/84/587617784.db2.gz VNDMXGRKCVVIIQ-JTQLQIEISA-N 1 0 217.740 2.486 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000831678930 587627337 /nfs/dbraw/zinc/62/73/37/587627337.db2.gz LYIBZPIYWGCDEP-BDAKNGLRSA-N 1 0 244.747 2.230 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH+]1CCCCCCCC1 ZINC000831926822 587636664 /nfs/dbraw/zinc/63/66/64/587636664.db2.gz VMSOAVLYACCUHZ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCCCCCCC1 ZINC000831926821 587637004 /nfs/dbraw/zinc/63/70/04/587637004.db2.gz VMSOAVLYACCUHZ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C(=C)C[NH+](C)C ZINC000832718201 587679190 /nfs/dbraw/zinc/67/91/90/587679190.db2.gz CDIFHCMJKRMBGZ-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[N@@H+](C)CCC ZINC000832725578 587679855 /nfs/dbraw/zinc/67/98/55/587679855.db2.gz GOMVSUQMBVBIFO-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(Cl)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000832778633 587688568 /nfs/dbraw/zinc/68/85/68/587688568.db2.gz MXOXEMGCEHMPJW-LLVKDONJSA-N 1 0 216.756 2.153 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H]1CC ZINC000834349685 587752786 /nfs/dbraw/zinc/75/27/86/587752786.db2.gz IDOBHOHSTCDWNN-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCSCC[NH2+][C@@H](CC)c1ccncc1 ZINC000834669030 587763558 /nfs/dbraw/zinc/76/35/58/587763558.db2.gz QODGUSYLVAHWFL-ZDUSSCGKSA-N 1 0 234.368 2.489 20 30 BEEDRO C=CCC1(C[NH2+][C@@H](C)CCO)CCCC1 ZINC000834898270 587769476 /nfs/dbraw/zinc/76/94/76/587769476.db2.gz AYOHDUZFKGILJU-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO c1nncn1[NH+]=C1CCc2ccccc2CC1 ZINC000834911561 587770326 /nfs/dbraw/zinc/77/03/26/587770326.db2.gz CDUKPBQWTBAUFS-UHFFFAOYSA-N 1 0 226.283 2.061 20 30 BEEDRO CC(C)CC[C@H]1CCC(N=NC(N)=[NH2+])C1 ZINC000834939347 587771832 /nfs/dbraw/zinc/77/18/32/587771832.db2.gz ZKJSUTYERBQFMM-VIFPVBQESA-N 1 0 210.325 2.062 20 30 BEEDRO Cc1nc(Cl)cc(NNC=C2CC2(F)F)[nH+]1 ZINC000834963827 587772894 /nfs/dbraw/zinc/77/28/94/587772894.db2.gz ZSUHIMSHFWGSMN-ZCFIWIBFSA-N 1 0 246.648 2.491 20 30 BEEDRO C[NH+](C)C[C@@](C)(C=NNC1CC1)c1ccccc1 ZINC000834969741 587774199 /nfs/dbraw/zinc/77/41/99/587774199.db2.gz VXDAOJLWQAIKEQ-OAHLLOKOSA-N 1 0 245.370 2.244 20 30 BEEDRO CC[C@H](C)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834972134 587774607 /nfs/dbraw/zinc/77/46/07/587774607.db2.gz DQCMKVMZKKDGGB-VIFPVBQESA-N 1 0 217.316 2.307 20 30 BEEDRO C=CCO[NH+]=Cc1ccccc1N1CCOCC1 ZINC000835016314 587778415 /nfs/dbraw/zinc/77/84/15/587778415.db2.gz STGLMZADYILWAO-UHFFFAOYSA-N 1 0 246.310 2.060 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1 ZINC000835085947 587781700 /nfs/dbraw/zinc/78/17/00/587781700.db2.gz CXYDOUPYXCPEBL-IUODEOHRSA-N 1 0 229.323 2.325 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(C)CCCC[C@@H]1C ZINC000837253742 587861628 /nfs/dbraw/zinc/86/16/28/587861628.db2.gz LQDXXESPUYTVGU-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)C#N ZINC000840939694 587930631 /nfs/dbraw/zinc/93/06/31/587930631.db2.gz OJAPKXPXTRZKSA-NSHDSACASA-N 1 0 231.343 2.310 20 30 BEEDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCC#N ZINC000840938168 587930929 /nfs/dbraw/zinc/93/09/29/587930929.db2.gz YDHXJNXLCAVDEL-UHFFFAOYSA-N 1 0 231.343 2.454 20 30 BEEDRO C=CCONC(=O)Nc1ccccc1C[NH2+]CC ZINC000841309797 587950971 /nfs/dbraw/zinc/95/09/71/587950971.db2.gz WTFHAKMCULABCU-UHFFFAOYSA-N 1 0 249.314 2.035 20 30 BEEDRO CCC(=NNCC[NH+]1CCCCC1)[C@@H]1C[C@@H]1C ZINC000841620818 587960469 /nfs/dbraw/zinc/96/04/69/587960469.db2.gz ZBNKASQXTHXKGJ-QWHCGFSZSA-N 1 0 237.391 2.484 20 30 BEEDRO CCC(N=NCC[NH+]1CCCCC1)[C@@H]1C[C@H]1C ZINC000841620816 587960608 /nfs/dbraw/zinc/96/06/08/587960608.db2.gz ZBNKASQXTHXKGJ-CHWSQXEVSA-N 1 0 237.391 2.484 20 30 BEEDRO CC(NNc1ccc(C)n[nH+]1)=C1CC1(F)F ZINC000841622912 587961164 /nfs/dbraw/zinc/96/11/64/587961164.db2.gz CEJBMYMBFSHQRW-MRVPVSSYSA-N 1 0 226.230 2.228 20 30 BEEDRO C=CCCCCCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000841903214 587982767 /nfs/dbraw/zinc/98/27/67/587982767.db2.gz KTVMAAHJKLZYST-LBPRGKRZSA-N 1 0 241.379 2.017 20 30 BEEDRO C=CCN(C(=O)NCC([NH3+])(CC)CC)C(C)C ZINC000841952107 587986785 /nfs/dbraw/zinc/98/67/85/587986785.db2.gz NUKVPCZNSPPZTP-UHFFFAOYSA-N 1 0 241.379 2.110 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@@H](CC(C)C)OC ZINC000842149556 588003207 /nfs/dbraw/zinc/00/32/07/588003207.db2.gz ABNAZGBXVCLNCU-CQSZACIVSA-N 1 0 221.344 2.006 20 30 BEEDRO CC[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CC1(C)C ZINC000842163396 588005612 /nfs/dbraw/zinc/00/56/12/588005612.db2.gz LYYYRLOXPXZEGX-WOPDTQHZSA-N 1 0 224.348 2.329 20 30 BEEDRO C#CCC[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000842170600 588006447 /nfs/dbraw/zinc/00/64/47/588006447.db2.gz KCIGJPOAMODOJP-LBPRGKRZSA-N 1 0 209.358 2.227 20 30 BEEDRO CN(C)c1ccc(C=[NH+]NC23CC(C2)C3)cc1 ZINC000842548011 588040988 /nfs/dbraw/zinc/04/09/88/588040988.db2.gz DGZGFFYMRXSJET-UHFFFAOYSA-N 1 0 229.327 2.229 20 30 BEEDRO CCCON=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000842550240 588041354 /nfs/dbraw/zinc/04/13/54/588041354.db2.gz AUTOOEZBEDHDHK-BETUJISGSA-N 1 0 240.347 2.042 20 30 BEEDRO CCCO[NH+]=C1CCc2cc(N)ccc21 ZINC000842550227 588041503 /nfs/dbraw/zinc/04/15/03/588041503.db2.gz AKFJGNGDYYXZDC-UHFFFAOYSA-N 1 0 204.273 2.346 20 30 BEEDRO C=CCCO[C@H](C)c1nc([C@H]([NH3+])C(C)C)no1 ZINC000843148655 588086610 /nfs/dbraw/zinc/08/66/10/588086610.db2.gz BWLSDFDEURZYFA-NXEZZACHSA-N 1 0 239.319 2.379 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H](C)C[NH2+]C)n1 ZINC000843233869 588094076 /nfs/dbraw/zinc/09/40/76/588094076.db2.gz DPKMNQGPIBGFBZ-SECBINFHSA-N 1 0 223.320 2.246 20 30 BEEDRO C=CCCc1noc([C@@H](C)[NH2+]CCC)n1 ZINC000843237741 588094915 /nfs/dbraw/zinc/09/49/15/588094915.db2.gz FHUJEVRZAYFCHN-SECBINFHSA-N 1 0 209.293 2.249 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@@H]2CCC[NH2+]2)n1 ZINC000843235801 588094975 /nfs/dbraw/zinc/09/49/75/588094975.db2.gz VDUFSQNDRIKRGT-JTQLQIEISA-N 1 0 235.331 2.218 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000843420894 588107554 /nfs/dbraw/zinc/10/75/54/588107554.db2.gz LAXZVLOGGMZFTG-CVEARBPZSA-N 1 0 241.334 2.279 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cccn2C)C1 ZINC000843423875 588107894 /nfs/dbraw/zinc/10/78/94/588107894.db2.gz LGLGSOFYZZXFEF-CYBMUJFWSA-N 1 0 216.328 2.260 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000843798196 588140929 /nfs/dbraw/zinc/14/09/29/588140929.db2.gz HJYPFMCKULXBTM-GMXVVIOVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000844201796 588173738 /nfs/dbraw/zinc/17/37/38/588173738.db2.gz SRUFMIOJSXNPQP-GFCCVEGCSA-N 1 0 236.359 2.134 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1 ZINC000844313427 588183602 /nfs/dbraw/zinc/18/36/02/588183602.db2.gz RMSWYYUCCFJVLO-CVEARBPZSA-N 1 0 242.366 2.435 20 30 BEEDRO C#CC[N@H+]1CC[C@@](C)(c2cccc(F)c2)C1 ZINC000844356552 588187427 /nfs/dbraw/zinc/18/74/27/588187427.db2.gz DSGAXPDOEPGICZ-CQSZACIVSA-N 1 0 217.287 2.422 20 30 BEEDRO C#CC[N@H+]1CCC[C@](O)(c2ccc(Cl)cc2)C1 ZINC000844372865 588188301 /nfs/dbraw/zinc/18/83/01/588188301.db2.gz HKPSJIBANNXTKE-CQSZACIVSA-N 1 0 249.741 2.257 20 30 BEEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000844391805 588188893 /nfs/dbraw/zinc/18/88/93/588188893.db2.gz CBNWCXLGQHOTBK-QWHCGFSZSA-N 1 0 229.364 2.038 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844398758 588189643 /nfs/dbraw/zinc/18/96/43/588189643.db2.gz BOAPDLVBAMNKMZ-UHFFFAOYSA-N 1 0 234.343 2.249 20 30 BEEDRO C=C(C)CON=C1C[N@H+](C(C)C)C[C@H]1C ZINC000844618909 588208688 /nfs/dbraw/zinc/20/86/88/588208688.db2.gz NJPKOLJSGHGBAH-LLVKDONJSA-N 1 0 210.321 2.295 20 30 BEEDRO C=C[C@@H](C)ON=C1CCC[C@H]([NH+](C)C)C1 ZINC000844624280 588210846 /nfs/dbraw/zinc/21/08/46/588210846.db2.gz HVDGXRRQCQXAMG-PWSUYJOCSA-N 1 0 210.321 2.438 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C2COC(C)(C)OC2)C1 ZINC000845954009 588251511 /nfs/dbraw/zinc/25/15/11/588251511.db2.gz KQLRBNWHFHTOCD-RYUDHWBXSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000845974577 588252389 /nfs/dbraw/zinc/25/23/89/588252389.db2.gz LVUOUCLHUFFEMS-RYUDHWBXSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000845974575 588252441 /nfs/dbraw/zinc/25/24/41/588252441.db2.gz LVUOUCLHUFFEMS-NEPJUHHUSA-N 1 0 219.332 2.255 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2nn(CC)nc2C)C1 ZINC000845986377 588252492 /nfs/dbraw/zinc/25/24/92/588252492.db2.gz UWMBBAAOEMLZRC-CHWSQXEVSA-N 1 0 248.374 2.441 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846143426 588258335 /nfs/dbraw/zinc/25/83/35/588258335.db2.gz BRIAEKBEZXOBSK-LLVKDONJSA-N 1 0 233.311 2.465 20 30 BEEDRO C=CCCCC(=O)NCc1ccccc1C[NH2+]C ZINC000846690656 588283099 /nfs/dbraw/zinc/28/30/99/588283099.db2.gz FDCCXMAMYGANIF-UHFFFAOYSA-N 1 0 246.354 2.379 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CCC2(C)C)nn1 ZINC000846959040 588298553 /nfs/dbraw/zinc/29/85/53/588298553.db2.gz HJQOSKQMWAQKMW-GFCCVEGCSA-N 1 0 234.347 2.132 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC[C@@H](O)c2ccccc2)C1 ZINC000847018850 588302268 /nfs/dbraw/zinc/30/22/68/588302268.db2.gz NBBUPCDYUSUEIT-GDBMZVCRSA-N 1 0 243.350 2.455 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000847019653 588302386 /nfs/dbraw/zinc/30/23/86/588302386.db2.gz SNGLVBXRMCBAIN-JTQLQIEISA-N 1 0 213.271 2.377 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000847021385 588302491 /nfs/dbraw/zinc/30/24/91/588302491.db2.gz LAZKPGYBVCUUIX-ZDUSSCGKSA-N 1 0 229.323 2.024 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000847021021 588302716 /nfs/dbraw/zinc/30/27/16/588302716.db2.gz HPIXKNJFGGOVMK-QWHCGFSZSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000847021020 588302728 /nfs/dbraw/zinc/30/27/28/588302728.db2.gz HPIXKNJFGGOVMK-OLZOCXBDSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)c2ccccc2F)C1 ZINC000847024713 588303839 /nfs/dbraw/zinc/30/38/39/588303839.db2.gz RRFFECDEFSXBJH-WFASDCNBSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CCCC[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000847079587 588305896 /nfs/dbraw/zinc/30/58/96/588305896.db2.gz MHZXJFUJDPSNKC-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(C)C(C)(C)C(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847817613 588333357 /nfs/dbraw/zinc/33/33/57/588333357.db2.gz KULLWHDJIWCXQX-LBPRGKRZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCC(=O)OC[C@@H](C)[NH+]1CCCCC1 ZINC000847959978 588345179 /nfs/dbraw/zinc/34/51/79/588345179.db2.gz KOEFMOIXOPVYJX-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO CCOCCON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848409078 588379573 /nfs/dbraw/zinc/37/95/73/588379573.db2.gz KXRLRONHKLOHGF-CYBMUJFWSA-N 1 0 240.347 2.044 20 30 BEEDRO C=CCCC[NH2+]Cc1cnc(Cl)n1C ZINC000848550185 588395795 /nfs/dbraw/zinc/39/57/95/588395795.db2.gz FIUCGLAGMJIHCD-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO Cn1c(Cl)ncc1C[NH2+]CC(C)(C)CC#N ZINC000848556108 588397176 /nfs/dbraw/zinc/39/71/76/588397176.db2.gz MUWIJJFYTLOYDJ-UHFFFAOYSA-N 1 0 240.738 2.103 20 30 BEEDRO C=C(Cl)C[N@H+](C)C[C@H]1CCCOC1 ZINC000107801421 588409769 /nfs/dbraw/zinc/40/97/69/588409769.db2.gz SKRANFPLRNJZQP-SNVBAGLBSA-N 1 0 203.713 2.097 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2conc2CC)C1 ZINC000848924002 588418305 /nfs/dbraw/zinc/41/83/05/588418305.db2.gz MDFLKXLAWIIKNJ-NSHDSACASA-N 1 0 218.300 2.082 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cc(C(=O)OC)oc1C)C(C)C ZINC000848910789 588419437 /nfs/dbraw/zinc/41/94/37/588419437.db2.gz PZKXQYLWHOTFNE-LBPRGKRZSA-N 1 0 249.310 2.122 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000848923390 588421235 /nfs/dbraw/zinc/42/12/35/588421235.db2.gz CYLFNIQFSNHVTQ-NSHDSACASA-N 1 0 233.286 2.377 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cccc3nccn32)C1 ZINC000848923378 588421306 /nfs/dbraw/zinc/42/13/06/588421306.db2.gz CSQYDOLGVMQZAL-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCCCSc2ccccc2)N1 ZINC000848981077 588423522 /nfs/dbraw/zinc/42/35/22/588423522.db2.gz HOAHMKWKRHBPEA-LLVKDONJSA-N 1 0 249.383 2.106 20 30 BEEDRO CCCCCCCCNC(=[NH2+])N[C@H](C)COC ZINC000848991941 588427499 /nfs/dbraw/zinc/42/74/99/588427499.db2.gz SCHHBYNCGDRJKE-GFCCVEGCSA-N 1 0 243.395 2.496 20 30 BEEDRO C[NH+]=C(NCC1(C)CCCCC1)NC1CC1 ZINC000848995860 588429268 /nfs/dbraw/zinc/42/92/68/588429268.db2.gz DFBLSUMYVUJWQQ-UHFFFAOYSA-N 1 0 223.364 2.284 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCCC[C@H]1C)NC1CC1 ZINC000848997558 588429512 /nfs/dbraw/zinc/42/95/12/588429512.db2.gz PTBIMEFRDCNFJY-MNOVXSKESA-N 1 0 223.364 2.140 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NC[C@@H](C)C#N)c1 ZINC000849003892 588431541 /nfs/dbraw/zinc/43/15/41/588431541.db2.gz NDUZJTRDXTXCOS-JTQLQIEISA-N 1 0 216.288 2.091 20 30 BEEDRO C=C(Cl)CNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849008557 588433972 /nfs/dbraw/zinc/43/39/72/588433972.db2.gz QNLFLENYUDVFFJ-UHFFFAOYSA-N 1 0 237.734 2.361 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1Cc2ccccc2C1 ZINC000849008354 588434137 /nfs/dbraw/zinc/43/41/37/588434137.db2.gz BJNVDECVWABFOP-UHFFFAOYSA-N 1 0 243.354 2.091 20 30 BEEDRO C[NH+]=C(NCCCC(C)(C)C)NC1CC1 ZINC000849009668 588434484 /nfs/dbraw/zinc/43/44/84/588434484.db2.gz RMDLICPATNAUBJ-UHFFFAOYSA-N 1 0 211.353 2.140 20 30 BEEDRO Cc1cccc(F)c1C[NH+]=C(N(C)C)N(C)C ZINC000849009938 588434493 /nfs/dbraw/zinc/43/44/93/588434493.db2.gz MVQRWALPENIINO-UHFFFAOYSA-N 1 0 237.322 2.113 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@]1(C)c1ccccc1)N(C)C ZINC000849010646 588434623 /nfs/dbraw/zinc/43/46/23/588434623.db2.gz VOQMODQGGGTHDU-DZGCQCFKSA-N 1 0 245.370 2.196 20 30 BEEDRO CCNC(N[C@@H]1C[C@@]1(C)c1ccccc1)=[NH+]CC ZINC000849010097 588434670 /nfs/dbraw/zinc/43/46/70/588434670.db2.gz BHUNDYYQBMLXOI-HIFRSBDPSA-N 1 0 245.370 2.292 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@]1(C)c1ccccc1 ZINC000849010384 588434840 /nfs/dbraw/zinc/43/48/40/588434840.db2.gz NKJRCZFUZCGVMF-HIFRSBDPSA-N 1 0 243.354 2.407 20 30 BEEDRO C#CCCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000849011047 588434953 /nfs/dbraw/zinc/43/49/53/588434953.db2.gz KYMGFVSOXLQTCK-UHFFFAOYSA-N 1 0 215.300 2.345 20 30 BEEDRO CCC(CC)(CNC(NC1CC1)=[NH+]C)SC ZINC000849010864 588435117 /nfs/dbraw/zinc/43/51/17/588435117.db2.gz PJZNCQROMJAPDN-UHFFFAOYSA-N 1 0 243.420 2.236 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](SC)C(C)(C)C ZINC000849017900 588437935 /nfs/dbraw/zinc/43/79/35/588437935.db2.gz MGNNEIUBSNNYRQ-VIFPVBQESA-N 1 0 229.393 2.064 20 30 BEEDRO C[C@H](CCNC1=[NH+]C[C@H](C)N1)CC(C)(C)C ZINC000849021145 588438915 /nfs/dbraw/zinc/43/89/15/588438915.db2.gz UHCOELZSZMYFGO-MNOVXSKESA-N 1 0 225.380 2.386 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])NCc1ccc(C)cc1 ZINC000849022411 588439387 /nfs/dbraw/zinc/43/93/87/588439387.db2.gz XJMDBIJTCSQAHJ-CYBMUJFWSA-N 1 0 229.327 2.021 20 30 BEEDRO C[NH+]=C(NC[C@@H]1CCC[C@H](C)[C@H]1C)NC1CC1 ZINC000849024932 588440412 /nfs/dbraw/zinc/44/04/12/588440412.db2.gz GLEUEMITXSRBPG-TUAOUCFPSA-N 1 0 237.391 2.386 20 30 BEEDRO C=CCCCCCCNC(=[NH2+])N[C@@H](C)COC ZINC000849027513 588441594 /nfs/dbraw/zinc/44/15/94/588441594.db2.gz FUDDRSPAKVWDOM-LBPRGKRZSA-N 1 0 241.379 2.272 20 30 BEEDRO CC(C)(CCC#N)CNC(=[NH2+])Nc1ccccn1 ZINC000849028703 588442013 /nfs/dbraw/zinc/44/20/13/588442013.db2.gz ANDYOLDGGGIHDL-UHFFFAOYSA-N 1 0 245.330 2.348 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])N(CC)CC ZINC000849031178 588442800 /nfs/dbraw/zinc/44/28/00/588442800.db2.gz YLSDAQRROYIFGD-UHFFFAOYSA-N 1 0 211.353 2.455 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CSc2ccccc21 ZINC000849032219 588443378 /nfs/dbraw/zinc/44/33/78/588443378.db2.gz IAPVYINJQFIHFF-JTQLQIEISA-N 1 0 247.367 2.176 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCC1=CCCCC1 ZINC000849032342 588443430 /nfs/dbraw/zinc/44/34/30/588443430.db2.gz NYKFTCQMFWPTBB-UHFFFAOYSA-N 1 0 247.342 2.445 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000849033090 588443914 /nfs/dbraw/zinc/44/39/14/588443914.db2.gz BXBWVXAPRLADLB-STQMWFEESA-N 1 0 229.327 2.090 20 30 BEEDRO C=C(C)CCNC(=[NH2+])NCCc1cccs1 ZINC000849035663 588444999 /nfs/dbraw/zinc/44/49/99/588444999.db2.gz GDUFZSJRRDLLAL-UHFFFAOYSA-N 1 0 237.372 2.371 20 30 BEEDRO C=CC(C)(C)CNC(=[NH2+])NCCC(C)C ZINC000849036908 588445508 /nfs/dbraw/zinc/44/55/08/588445508.db2.gz DPMLNTSCTXPPFH-UHFFFAOYSA-N 1 0 211.353 2.359 20 30 BEEDRO C=C(CC)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849038413 588446296 /nfs/dbraw/zinc/44/62/96/588446296.db2.gz QDRQEOFSEVUQLK-LLVKDONJSA-N 1 0 209.337 2.209 20 30 BEEDRO C=CCC1(CNC(=[NH2+])N(C)C)CCCC1 ZINC000849038851 588446722 /nfs/dbraw/zinc/44/67/22/588446722.db2.gz XHGZDWOXNVZBAO-UHFFFAOYSA-N 1 0 209.337 2.209 20 30 BEEDRO C=CCC1(CNC(NC2CC2)=[NH+]C)CCCC1 ZINC000849038880 588446814 /nfs/dbraw/zinc/44/68/14/588446814.db2.gz ZIYSGWQSRWLYBZ-UHFFFAOYSA-N 1 0 235.375 2.450 20 30 BEEDRO CCNC(N[C@@H]1C[C@H]1c1ccc(C)cc1)=[NH+]CC ZINC000849045077 588449589 /nfs/dbraw/zinc/44/95/89/588449589.db2.gz BZAGDCRLGSVEGF-UONOGXRCSA-N 1 0 245.370 2.426 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC1CCCC1)c1ccccc1 ZINC000849045307 588449657 /nfs/dbraw/zinc/44/96/57/588449657.db2.gz IPLALEMKLNHDSJ-AWEZNQCLSA-N 1 0 241.338 2.417 20 30 BEEDRO N#CC1(CNC(=[NH2+])Nc2ccccn2)CCCC1 ZINC000849047087 588450198 /nfs/dbraw/zinc/45/01/98/588450198.db2.gz PSZQESAGUIZENW-UHFFFAOYSA-N 1 0 243.314 2.102 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC[C@]1(C)C[C@@]1(F)Cl ZINC000849047425 588450602 /nfs/dbraw/zinc/45/06/02/588450602.db2.gz MEZLJMYKHMCDHH-MNOVXSKESA-N 1 0 247.745 2.381 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cccc2cc[nH]c21 ZINC000849087575 588452744 /nfs/dbraw/zinc/45/27/44/588452744.db2.gz BTILEWRNURTYBL-UHFFFAOYSA-N 1 0 242.326 2.358 20 30 BEEDRO C=CCC[NH2+]Cc1c(Cl)n(C)nc1CC ZINC000850354388 588538572 /nfs/dbraw/zinc/53/85/72/588538572.db2.gz FWVIAVJWXFCMMW-UHFFFAOYSA-N 1 0 227.739 2.302 20 30 BEEDRO C=CCC[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000850354486 588538871 /nfs/dbraw/zinc/53/88/71/588538871.db2.gz KQXKVCNSKIYLKW-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3C=CCC3)n2c1 ZINC000850358304 588539003 /nfs/dbraw/zinc/53/90/03/588539003.db2.gz AXAHFPNHFJXZBZ-LBPRGKRZSA-N 1 0 238.294 2.014 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@H](OCC)C2)cc1 ZINC000850362298 588540692 /nfs/dbraw/zinc/54/06/92/588540692.db2.gz LFCSSUZEQZXUPY-SHTZXODSSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCC1([NH2+]Cc2ccoc2)CCOCC1 ZINC000850368151 588540967 /nfs/dbraw/zinc/54/09/67/588540967.db2.gz JIAQWYCUUPMWSL-UHFFFAOYSA-N 1 0 221.300 2.495 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cccnc1Cl ZINC000850377392 588542209 /nfs/dbraw/zinc/54/22/09/588542209.db2.gz CWJPRGZSHSVKFA-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)cc1 ZINC000850389548 588543006 /nfs/dbraw/zinc/54/30/06/588543006.db2.gz ZKWZMGXAXTZUAO-HUUCEWRRSA-N 1 0 241.334 2.061 20 30 BEEDRO C=CCC1([NH2+]Cc2cnn(CC)n2)CCCC1 ZINC000850388608 588543206 /nfs/dbraw/zinc/54/32/06/588543206.db2.gz HGSKZQMVPMQBHR-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cnn(CC)n1 ZINC000850417419 588544897 /nfs/dbraw/zinc/54/48/97/588544897.db2.gz WRJKUOMSKAKQSP-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc2c(c1)CCCO2 ZINC000850419415 588545201 /nfs/dbraw/zinc/54/52/01/588545201.db2.gz AFQFDTOKZWQNBU-LLVKDONJSA-N 1 0 215.296 2.295 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850445186 588546933 /nfs/dbraw/zinc/54/69/33/588546933.db2.gz PUYZGUSVEDQMPA-LBPRGKRZSA-N 1 0 207.317 2.091 20 30 BEEDRO C#CCCCC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850445185 588547213 /nfs/dbraw/zinc/54/72/13/588547213.db2.gz PUYZGUSVEDQMPA-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC1(C)OCCO1 ZINC000850449905 588547604 /nfs/dbraw/zinc/54/76/04/588547604.db2.gz YYTRRUGWJNBVQQ-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H](O)c3ccccc32)C1 ZINC000850527200 588557292 /nfs/dbraw/zinc/55/72/92/588557292.db2.gz VCYYQYFCFNMMAO-BVIHXZOGSA-N 1 0 242.322 2.447 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCN(C)C(=O)OC ZINC000850551954 588559827 /nfs/dbraw/zinc/55/98/27/588559827.db2.gz ZIXUWPNWPWNTKH-LLVKDONJSA-N 1 0 228.336 2.019 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000850548203 588559925 /nfs/dbraw/zinc/55/99/25/588559925.db2.gz YWYBEIOQWKJCGA-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC2SCCS2)C1 ZINC000850561866 588560904 /nfs/dbraw/zinc/56/09/04/588560904.db2.gz UZVSRHSZNDNFDO-NXEZZACHSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CCOCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000851711818 588615375 /nfs/dbraw/zinc/61/53/75/588615375.db2.gz GNTNPMBDGBEGTA-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO C#CCOCC[N@@H+](CC=C)CCc1ccccc1 ZINC000851738090 588620747 /nfs/dbraw/zinc/62/07/47/588620747.db2.gz VPRNVBGHTCEXCI-UHFFFAOYSA-N 1 0 243.350 2.367 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)[C@H]1CC[C@H](OC)C1 ZINC000851741210 588621491 /nfs/dbraw/zinc/62/14/91/588621491.db2.gz BRVHXTROZMMSBP-WOPDTQHZSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC1CC[NH+]([C@H]2CC[C@@H](OC)C2)CC1 ZINC000851768182 588625082 /nfs/dbraw/zinc/62/50/82/588625082.db2.gz GOZLHJAQCVZFFJ-QWHCGFSZSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851771154 588625273 /nfs/dbraw/zinc/62/52/73/588625273.db2.gz YWLBWIQRNBXWES-CYBMUJFWSA-N 1 0 239.359 2.426 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)CCC[C@@H]1C ZINC000851786167 588628977 /nfs/dbraw/zinc/62/89/77/588628977.db2.gz QZGJOZFGSKUUKS-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H](CC)CC(F)F ZINC000851793247 588629454 /nfs/dbraw/zinc/62/94/54/588629454.db2.gz ATNKXJBIUAMFRW-LLVKDONJSA-N 1 0 213.271 2.236 20 30 BEEDRO C#CC[N@H+](CC)CCOCc1ccccc1 ZINC000851798490 588630144 /nfs/dbraw/zinc/63/01/44/588630144.db2.gz DHIGWYLRSDYSFY-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](CCC)C1 ZINC000851807197 588631621 /nfs/dbraw/zinc/63/16/21/588631621.db2.gz BJLYLXSEUFBWSV-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](CC(C)C)C1 ZINC000851807931 588631652 /nfs/dbraw/zinc/63/16/52/588631652.db2.gz CNXURQGIYMSVTB-AWEZNQCLSA-N 1 0 223.360 2.394 20 30 BEEDRO C#CCOCC[NH2+]C1(c2ccccc2)CCC1 ZINC000851821386 588633441 /nfs/dbraw/zinc/63/34/41/588633441.db2.gz UJWRJNFHVNJKDS-UHFFFAOYSA-N 1 0 229.323 2.305 20 30 BEEDRO C#CCOCC[N@@H+]1Cc2ccccc2C(C)(C)C1 ZINC000851870197 588637240 /nfs/dbraw/zinc/63/72/40/588637240.db2.gz AFARAKFHXLZIED-UHFFFAOYSA-N 1 0 243.350 2.430 20 30 BEEDRO C#CCCN1CC[NH+](C[C@H]2CCCC[C@H]2C)CC1 ZINC000851872703 588637870 /nfs/dbraw/zinc/63/78/70/588637870.db2.gz JKSBAHNAGQUJMH-HZPDHXFCSA-N 1 0 248.414 2.454 20 30 BEEDRO N#Cc1ccc(CC[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000851877885 588638565 /nfs/dbraw/zinc/63/85/65/588638565.db2.gz UYJYTOQJAVJAST-KGLIPLIRSA-N 1 0 212.296 2.195 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](CC)c1ccncc1 ZINC000851878444 588639189 /nfs/dbraw/zinc/63/91/89/588639189.db2.gz LCMGHCYAKKLIRZ-AWEZNQCLSA-N 1 0 232.327 2.114 20 30 BEEDRO COC(CC[NH2+][C@@H](C)c1cccc(C#N)c1)OC ZINC000851900096 588641622 /nfs/dbraw/zinc/64/16/22/588641622.db2.gz PBRWTTOLLCKDEW-NSHDSACASA-N 1 0 248.326 2.218 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000851920818 588643999 /nfs/dbraw/zinc/64/39/99/588643999.db2.gz SGJCLUJLEZHZAR-BFHYXJOUSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1cccs1 ZINC000851932964 588645181 /nfs/dbraw/zinc/64/51/81/588645181.db2.gz MUBYVUAUOORYFG-UHFFFAOYSA-N 1 0 223.341 2.223 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@@H]1c1cccnc1 ZINC000851935415 588645997 /nfs/dbraw/zinc/64/59/97/588645997.db2.gz UXLAKFGZLKFBBI-UKRRQHHQSA-N 1 0 244.338 2.114 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCCO1 ZINC000851950325 588647002 /nfs/dbraw/zinc/64/70/02/588647002.db2.gz NPIQQAOEGWTTMR-KLHDSHLOSA-N 1 0 241.334 2.313 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@@H]1SCC ZINC000851952271 588647357 /nfs/dbraw/zinc/64/73/57/588647357.db2.gz KBWMZWUIVJPUAU-STQMWFEESA-N 1 0 241.400 2.290 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](CC)CC(F)F)[C@H]1CCCO1 ZINC000851951485 588647398 /nfs/dbraw/zinc/64/73/98/588647398.db2.gz XHBFSJDBLGVKGZ-GRYCIOLGSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@H]1SCC ZINC000851952270 588647469 /nfs/dbraw/zinc/64/74/69/588647469.db2.gz KBWMZWUIVJPUAU-QWHCGFSZSA-N 1 0 241.400 2.290 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)Nc1ccccc1 ZINC000852099891 588662623 /nfs/dbraw/zinc/66/26/23/588662623.db2.gz RBLJFPJYMFLWDA-HNNXBMFYSA-N 1 0 244.338 2.407 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1ccccc1C ZINC000852101722 588662939 /nfs/dbraw/zinc/66/29/39/588662939.db2.gz HOVLZNYZYOVNTN-GJZGRUSLSA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000852101355 588662971 /nfs/dbraw/zinc/66/29/71/588662971.db2.gz DFXWQRKYWDJRHZ-GJZGRUSLSA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCCc1ccncc1 ZINC000852101146 588663152 /nfs/dbraw/zinc/66/31/52/588663152.db2.gz MWVXRPBXEMFWAH-AWEZNQCLSA-N 1 0 216.328 2.406 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000852102352 588663255 /nfs/dbraw/zinc/66/32/55/588663255.db2.gz WXYUJJHKZAKVHW-CVEARBPZSA-N 1 0 245.366 2.372 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CCC(C)C ZINC000852103353 588663361 /nfs/dbraw/zinc/66/33/61/588663361.db2.gz FKBJKYJKEDYZLD-CHWSQXEVSA-N 1 0 211.349 2.175 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000852103293 588663455 /nfs/dbraw/zinc/66/34/55/588663455.db2.gz CXXBYTMPVVAEST-FRRDWIJNSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(N)c1 ZINC000852103806 588663817 /nfs/dbraw/zinc/66/38/17/588663817.db2.gz RERASKRWONQOKS-ZDUSSCGKSA-N 1 0 202.301 2.160 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000852149472 588667466 /nfs/dbraw/zinc/66/74/66/588667466.db2.gz IRTBFXKNEBWNSS-HZSPNIEDSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2coc(C)n2)C1 ZINC000852206580 588671925 /nfs/dbraw/zinc/67/19/25/588671925.db2.gz MSUCMDFSMIGINR-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CCOCC[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000852208980 588672071 /nfs/dbraw/zinc/67/20/71/588672071.db2.gz LIJIHAPMZFUCBF-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cnon1 ZINC000852302386 588677417 /nfs/dbraw/zinc/67/74/17/588677417.db2.gz AHEIVIXGYPPSRA-ZYHUDNBSSA-N 1 0 221.304 2.294 20 30 BEEDRO CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852319279 588677763 /nfs/dbraw/zinc/67/77/63/588677763.db2.gz JGUMXNNAIHMVDU-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1CCC(c2ccco2)CC1 ZINC000852321921 588678297 /nfs/dbraw/zinc/67/82/97/588678297.db2.gz WBGKQZPTDIEBJZ-LBPRGKRZSA-N 1 0 248.326 2.388 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCO[C@@H](C)C#N)C1 ZINC000852410242 588680636 /nfs/dbraw/zinc/68/06/36/588680636.db2.gz KIJSKTYWHHKFQS-QWHCGFSZSA-N 1 0 222.332 2.203 20 30 BEEDRO Cc1ccc2c(c1)C[N@H+](CCO[C@@H](C)C#N)CC2 ZINC000852404619 588681054 /nfs/dbraw/zinc/68/10/54/588681054.db2.gz RGYIQWQRRQNRAX-ZDUSSCGKSA-N 1 0 244.338 2.282 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@H]2COC(C)(C)O2)C1 ZINC000852410287 588681179 /nfs/dbraw/zinc/68/11/79/588681179.db2.gz LCROAUBTJYYSGS-CHWSQXEVSA-N 1 0 239.359 2.426 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412133 588681370 /nfs/dbraw/zinc/68/13/70/588681370.db2.gz ZACJVIUTCAREAR-CHWSQXEVSA-N 1 0 249.354 2.370 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000852411760 588681469 /nfs/dbraw/zinc/68/14/69/588681469.db2.gz VJFHUSBJRYDLSQ-CHWSQXEVSA-N 1 0 237.343 2.228 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCC2OCCO2)C1 ZINC000852410477 588681555 /nfs/dbraw/zinc/68/15/55/588681555.db2.gz MMZQIFAKGQASTG-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1CCOC1=O)C(C)(C)C ZINC000852554502 588689458 /nfs/dbraw/zinc/68/94/58/588689458.db2.gz PAAKNERZKKPGPO-LLVKDONJSA-N 1 0 225.332 2.226 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000852554817 588689486 /nfs/dbraw/zinc/68/94/86/588689486.db2.gz CZCWLASQABOTDA-HUUCEWRRSA-N 1 0 244.338 2.115 20 30 BEEDRO C=CC[N@@H+](CCO[C@H](C)C#N)C(C)(C)C ZINC000852554062 588689539 /nfs/dbraw/zinc/68/95/39/588689539.db2.gz BGLFJNCMSIIQEP-LLVKDONJSA-N 1 0 210.321 2.202 20 30 BEEDRO C=CC[N@H+](C[C@H](O)c1ccccn1)C(C)(C)C ZINC000852554060 588689542 /nfs/dbraw/zinc/68/95/42/588689542.db2.gz BEOJZKYWXNFGFD-ZDUSSCGKSA-N 1 0 234.343 2.402 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000852561602 588690727 /nfs/dbraw/zinc/69/07/27/588690727.db2.gz QIXCQCJVBUYCEC-HUUCEWRRSA-N 1 0 245.370 2.134 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N1CCCC1 ZINC000852687781 588696175 /nfs/dbraw/zinc/69/61/75/588696175.db2.gz NWIWSXPBBONIMA-OKILXGFUSA-N 1 0 248.370 2.182 20 30 BEEDRO C=C(Cl)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000852750139 588699907 /nfs/dbraw/zinc/69/99/07/588699907.db2.gz MGRWLXMDELVDPS-NSHDSACASA-N 1 0 216.756 2.236 20 30 BEEDRO C=C(Cl)CN[C@H](C[NH3+])C1CCCCC1 ZINC000852750138 588699938 /nfs/dbraw/zinc/69/99/38/588699938.db2.gz MGRWLXMDELVDPS-LLVKDONJSA-N 1 0 216.756 2.236 20 30 BEEDRO C[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1CC1(C)C ZINC000852774741 588701845 /nfs/dbraw/zinc/70/18/45/588701845.db2.gz YHEDPAOXIORPPH-RYUDHWBXSA-N 1 0 219.332 2.408 20 30 BEEDRO CCCCCCCC[C@@H](C)C(=O)NCC[NH3+] ZINC000852791118 588702886 /nfs/dbraw/zinc/70/28/86/588702886.db2.gz XTEAXZHLVIQKKF-GFCCVEGCSA-N 1 0 228.380 2.448 20 30 BEEDRO C=CCCCCCCNC(=O)N(CC)CC[NH3+] ZINC000861631624 589171398 /nfs/dbraw/zinc/17/13/98/589171398.db2.gz HSXIJHXSZZKQRF-UHFFFAOYSA-N 1 0 241.379 2.113 20 30 BEEDRO CCCCCCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000861648450 589172757 /nfs/dbraw/zinc/17/27/57/589172757.db2.gz WQLXUZZDIIUPJV-NWDGAFQWSA-N 1 0 243.395 2.382 20 30 BEEDRO CCCCCCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000861655463 589173410 /nfs/dbraw/zinc/17/34/10/589173410.db2.gz OYUGCCWADQWIPL-UHFFFAOYSA-N 1 0 241.379 2.088 20 30 BEEDRO C=CCCCC(=O)N(CC)C1CC[NH+](C)CC1 ZINC000861895361 589182555 /nfs/dbraw/zinc/18/25/55/589182555.db2.gz XIHYGHPLGJFHLJ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CC[N@@H+](C[C@@]1(C)CCCS1)C1CC1 ZINC000862326048 589201249 /nfs/dbraw/zinc/20/12/49/589201249.db2.gz IWQSLDFMCITZJF-GFCCVEGCSA-N 1 0 209.358 2.370 20 30 BEEDRO CCCCCCCNC(=O)C1([NH+](C)C)CC1 ZINC000862355688 589202485 /nfs/dbraw/zinc/20/24/85/589202485.db2.gz NEHZFBNYZZPCPR-UHFFFAOYSA-N 1 0 226.364 2.167 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCN(C)C(C)(C)C1)C(C)C ZINC000862362719 589204168 /nfs/dbraw/zinc/20/41/68/589204168.db2.gz DKGZYIQHLHSJMZ-STQMWFEESA-N 1 0 222.376 2.107 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnc(F)c2C)C1 ZINC000862401192 589209097 /nfs/dbraw/zinc/20/90/97/589209097.db2.gz ATOUOGCJABEIOH-LBPRGKRZSA-N 1 0 232.302 2.374 20 30 BEEDRO C=CCCCCC[C@H](C)[NH2+]Cc1cnn[nH]1 ZINC000862424272 589211326 /nfs/dbraw/zinc/21/13/26/589211326.db2.gz KMQBDZJVKCNPSX-NSHDSACASA-N 1 0 222.336 2.419 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000862443618 589213899 /nfs/dbraw/zinc/21/38/99/589213899.db2.gz REBBORRCSCXHQJ-AWEZNQCLSA-N 1 0 224.307 2.403 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OCC)cn2)C1 ZINC000862445158 589214250 /nfs/dbraw/zinc/21/42/50/589214250.db2.gz NHMMEWIDIDSKEV-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2scnc2C)C1 ZINC000862444775 589214611 /nfs/dbraw/zinc/21/46/11/589214611.db2.gz HBDDBEAAGXFXTH-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccnc(F)c2C)C1 ZINC000862447936 589215018 /nfs/dbraw/zinc/21/50/18/589215018.db2.gz SRWATSWDFLEJOX-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(F)nc2C)C1 ZINC000862448035 589215549 /nfs/dbraw/zinc/21/55/49/589215549.db2.gz VPMMEAKMVDSQJP-GFCCVEGCSA-N 1 0 232.302 2.374 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CCCCC1 ZINC000862547787 589220186 /nfs/dbraw/zinc/22/01/86/589220186.db2.gz PDWYKOQVZSALRS-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CC[C@H]1CC ZINC000862548791 589220388 /nfs/dbraw/zinc/22/03/88/589220388.db2.gz NWLQATOHLACKEX-UPJWGTAASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H]1CC ZINC000862548793 589220400 /nfs/dbraw/zinc/22/04/00/589220400.db2.gz NWLQATOHLACKEX-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000862549307 589220547 /nfs/dbraw/zinc/22/05/47/589220547.db2.gz ZLGXXTXWKUIZJP-BZUAXINKSA-N 1 0 243.350 2.418 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H](C)C1CCSCC1 ZINC000862551871 589220678 /nfs/dbraw/zinc/22/06/78/589220678.db2.gz ZWZAHFGAABQXJG-YPMHNXCESA-N 1 0 241.400 2.146 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000862551702 589220859 /nfs/dbraw/zinc/22/08/59/589220859.db2.gz XTMPINNAPZOIIS-FRRDWIJNSA-N 1 0 241.400 2.144 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC=C(C)CC1 ZINC000862551415 589220871 /nfs/dbraw/zinc/22/08/71/589220871.db2.gz USZIOIXEYVBTKY-CHWSQXEVSA-N 1 0 207.317 2.113 20 30 BEEDRO CSCCON=C1CC[N@H+](C)C(C)(C)C1 ZINC000863109362 589257358 /nfs/dbraw/zinc/25/73/58/589257358.db2.gz LKUYTMDKACGMGW-UHFFFAOYSA-N 1 0 230.377 2.226 20 30 BEEDRO CCCN[NH+]=C(CC)c1ccc(N)cc1 ZINC000863079873 589254611 /nfs/dbraw/zinc/25/46/11/589254611.db2.gz CZZATXJVDOFMLJ-UHFFFAOYSA-N 1 0 205.305 2.383 20 30 BEEDRO CCON=Cc1cc(F)c(N(C)C)cc1F ZINC000863077672 589254930 /nfs/dbraw/zinc/25/49/30/589254930.db2.gz UFXWOMGONSSULD-UHFFFAOYSA-N 1 0 228.242 2.401 20 30 BEEDRO C[N@@H+]1CCC(=NOCc2cccnc2)CC1(C)C ZINC000863103599 589256008 /nfs/dbraw/zinc/25/60/08/589256008.db2.gz DTSAOFVFYKCSSO-UHFFFAOYSA-N 1 0 247.342 2.458 20 30 BEEDRO C[N@@H+]1CCC(=NOC2CCOCC2)CC1(C)C ZINC000863108217 589256963 /nfs/dbraw/zinc/25/69/63/589256963.db2.gz MPRPFRDKKCUSOA-UHFFFAOYSA-N 1 0 240.347 2.042 20 30 BEEDRO CCC(=[NH+]N[C@@H]1CCSC1)c1ccc(N)cc1 ZINC000863113738 589258563 /nfs/dbraw/zinc/25/85/63/589258563.db2.gz RCXWQJNPEYJBLC-GFCCVEGCSA-N 1 0 249.383 2.478 20 30 BEEDRO CCc1nc(C=NNc2cc[nH+]cc2C)cs1 ZINC000863156784 589263316 /nfs/dbraw/zinc/26/33/16/589263316.db2.gz BTNXEEQBXJIQRL-UHFFFAOYSA-N 1 0 246.339 2.277 20 30 BEEDRO Cc1cc(NN=Cc2ccnn2C(C)C)cc[nH+]1 ZINC000863159524 589264238 /nfs/dbraw/zinc/26/42/38/589264238.db2.gz VLDVDSFUMOMTFR-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO Cc1cccc(N=NC2C[C@H](C)[N@@H+](C3CC3)C2)n1 ZINC000863159928 589264807 /nfs/dbraw/zinc/26/48/07/589264807.db2.gz KKVWWTOZFBBBCD-NSHDSACASA-N 1 0 244.342 2.415 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](O)c1ccccn1 ZINC000863562414 589299611 /nfs/dbraw/zinc/29/96/11/589299611.db2.gz JNJNNJNIFPLSGB-ZDUSSCGKSA-N 1 0 234.343 2.307 20 30 BEEDRO C=CCCCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864464493 589370466 /nfs/dbraw/zinc/37/04/66/589370466.db2.gz DHXXQEYGMRPGET-LLVKDONJSA-N 1 0 209.337 2.209 20 30 BEEDRO CC[C@@H]1CCN(C(=[NH2+])NCC(C)(C)CC#N)C1 ZINC000864466230 589371217 /nfs/dbraw/zinc/37/12/17/589371217.db2.gz IPUFZHKEVBPWLZ-LLVKDONJSA-N 1 0 236.363 2.183 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000864467421 589371905 /nfs/dbraw/zinc/37/19/05/589371905.db2.gz TVTZYSCWUVSIIE-ICCXJUOJSA-N 1 0 245.301 2.022 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCC1CC1)c1ccccc1 ZINC000864468046 589371967 /nfs/dbraw/zinc/37/19/67/589371967.db2.gz AJIWTLYMWQLBEA-CQSZACIVSA-N 1 0 241.338 2.275 20 30 BEEDRO CCCCCCC[N@H+](CCC)CC(=O)NC ZINC000120165185 589388599 /nfs/dbraw/zinc/38/85/99/589388599.db2.gz UKRHJSSMMOLWIT-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C#CCCCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000120540239 589433613 /nfs/dbraw/zinc/43/36/13/589433613.db2.gz ULOQJVXOJJSKRD-OLZOCXBDSA-N 1 0 220.360 2.005 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865489240 589440429 /nfs/dbraw/zinc/44/04/29/589440429.db2.gz ATCACCVHIOIFEE-QMMMGPOBSA-N 1 0 218.256 2.198 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+][C@@H]1CC12CC2 ZINC000865609430 589451128 /nfs/dbraw/zinc/45/11/28/589451128.db2.gz LSOJNVZXNJUCEE-CQSZACIVSA-N 1 0 241.338 2.266 20 30 BEEDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C#N)cc3)CC[C@@H]21 ZINC000866208361 589480484 /nfs/dbraw/zinc/48/04/84/589480484.db2.gz UAPSZKYTPDNSNC-ZFWWWQNUSA-N 1 0 241.338 2.089 20 30 BEEDRO Cc1cc(N[C@@H]2Cc3ccc(C#N)cc3C2)cc[nH+]1 ZINC000866258861 589483368 /nfs/dbraw/zinc/48/33/68/589483368.db2.gz BZGSPUSHHCJWLS-MRXNPFEDSA-N 1 0 249.317 2.263 20 30 BEEDRO C#CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866274706 589483866 /nfs/dbraw/zinc/48/38/66/589483866.db2.gz QZMOZXGDINFXMA-KGLIPLIRSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C(Cl)C[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000866300437 589484928 /nfs/dbraw/zinc/48/49/28/589484928.db2.gz VDLKHVNXUWCLCJ-UHFFFAOYSA-N 1 0 231.723 2.060 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CCc1cccnc1 ZINC000866316113 589485989 /nfs/dbraw/zinc/48/59/89/589485989.db2.gz WTAXWNGVECWCCT-UKRRQHHQSA-N 1 0 248.370 2.177 20 30 BEEDRO C=CCOCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866335682 589486741 /nfs/dbraw/zinc/48/67/41/589486741.db2.gz DQFGJHBGDFYPJJ-ZIAGYGMSSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000866446897 589493292 /nfs/dbraw/zinc/49/32/92/589493292.db2.gz XXMVMJWSBTXDNT-SNIKSBKOSA-N 1 0 221.344 2.354 20 30 BEEDRO CC1(C)CC[C@@H](O)[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000866453062 589494493 /nfs/dbraw/zinc/49/44/93/589494493.db2.gz QMVYIDGGUGZKHV-YVECIDJPSA-N 1 0 236.359 2.208 20 30 BEEDRO CS[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000866488039 589497042 /nfs/dbraw/zinc/49/70/42/589497042.db2.gz IVKSIIAFHSZIAO-LMLFDSFASA-N 1 0 210.346 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC23CCOCC3)C1 ZINC000866532006 589499311 /nfs/dbraw/zinc/49/93/11/589499311.db2.gz UJOPTNBZFPNDTD-MGPQQGTHSA-N 1 0 248.370 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC23CCOCC3)C1 ZINC000866532005 589499405 /nfs/dbraw/zinc/49/94/05/589499405.db2.gz UJOPTNBZFPNDTD-MCIONIFRSA-N 1 0 248.370 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC23CCOCC3)C1 ZINC000866532004 589499472 /nfs/dbraw/zinc/49/94/72/589499472.db2.gz UJOPTNBZFPNDTD-HZSPNIEDSA-N 1 0 248.370 2.475 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2C[C@H]2C2CCOCC2)C1 ZINC000866539446 589499576 /nfs/dbraw/zinc/49/95/76/589499576.db2.gz LXZVGIXWCQKMSJ-MHEUCROKSA-N 1 0 248.370 2.331 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H]3CSC[C@@H]3C2)C1 ZINC000866584633 589501556 /nfs/dbraw/zinc/50/15/56/589501556.db2.gz PLWDITPOSJZKHO-NDBYEHHHSA-N 1 0 236.384 2.364 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000866612831 589504662 /nfs/dbraw/zinc/50/46/62/589504662.db2.gz BZJRRXWXUXSHJP-MNOVXSKESA-N 1 0 207.321 2.425 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)c1ccnn1C ZINC000866612609 589504704 /nfs/dbraw/zinc/50/47/04/589504704.db2.gz ABMVIIGIQKPNJM-SRVKXCTJSA-N 1 0 232.331 2.153 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCSC1)C2 ZINC000866616346 589504807 /nfs/dbraw/zinc/50/48/07/589504807.db2.gz XHNZBKQZGPYLFH-KBPBESRZSA-N 1 0 244.363 2.121 20 30 BEEDRO CC[C@@H](C)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866614529 589504904 /nfs/dbraw/zinc/50/49/04/589504904.db2.gz KEVLFZOJKYOXDZ-QMTHXVAHSA-N 1 0 214.312 2.414 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCSC1)C2 ZINC000866616349 589505031 /nfs/dbraw/zinc/50/50/31/589505031.db2.gz XHNZBKQZGPYLFH-ZIAGYGMSSA-N 1 0 244.363 2.121 20 30 BEEDRO COCC[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866617267 589505548 /nfs/dbraw/zinc/50/55/48/589505548.db2.gz GILYRXHFQSFKOB-ABAIWWIYSA-N 1 0 244.338 2.040 20 30 BEEDRO C#CCCCCCC(=O)O[C@H](CC)C[NH+](C)C ZINC000870549641 589673632 /nfs/dbraw/zinc/67/36/32/589673632.db2.gz DXRPUWANHCJMOK-CYBMUJFWSA-N 1 0 239.359 2.454 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870553990 589675323 /nfs/dbraw/zinc/67/53/23/589675323.db2.gz WYWAAGPUIHTSHJ-NEPJUHHUSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CCCCCC(=O)O[C@@H](C[NH+](C)C)C(C)C ZINC000870568459 589676041 /nfs/dbraw/zinc/67/60/41/589676041.db2.gz GUMQJXOLMXDFEY-ZDUSSCGKSA-N 1 0 239.359 2.309 20 30 BEEDRO CCCCCCCCNC(=[NH2+])N(C)CCOC ZINC000871605501 589774810 /nfs/dbraw/zinc/77/48/10/589774810.db2.gz NNAVJHWSLOOMIN-UHFFFAOYSA-N 1 0 243.395 2.449 20 30 BEEDRO C#CCc1c(C)nn(CC[NH+]2CCCCC2)c1C ZINC000871946314 589838717 /nfs/dbraw/zinc/83/87/17/589838717.db2.gz QRGZTPNZMSBHOA-UHFFFAOYSA-N 1 0 245.370 2.162 20 30 BEEDRO C#CCSCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872047816 589860698 /nfs/dbraw/zinc/86/06/98/589860698.db2.gz GKWZYTTWRYFDOX-OLZOCXBDSA-N 1 0 241.400 2.148 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872050244 589860813 /nfs/dbraw/zinc/86/08/13/589860813.db2.gz ZXJXPPFKACEAQN-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)C(C)(C)CC ZINC000872056981 589862115 /nfs/dbraw/zinc/86/21/15/589862115.db2.gz BQKUDRYHTJTMPW-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCCc2ccccc2C1 ZINC000872087743 589867866 /nfs/dbraw/zinc/86/78/66/589867866.db2.gz HATPMPADLBCOGA-HZPDHXFCSA-N 1 0 245.366 2.461 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCSC2)CC1 ZINC000872139291 589869314 /nfs/dbraw/zinc/86/93/14/589869314.db2.gz BEPJKLPHFBUVLY-SRVKXCTJSA-N 1 0 209.358 2.274 20 30 BEEDRO COCC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000872104356 589871862 /nfs/dbraw/zinc/87/18/62/589871862.db2.gz BOJRENBEEHWWGC-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]3CCC[C@@H]3O2)C1 ZINC000872106092 589873094 /nfs/dbraw/zinc/87/30/94/589873094.db2.gz DVBNLOHCMVXDKX-DGTMBMJNSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000872125547 589875919 /nfs/dbraw/zinc/87/59/19/589875919.db2.gz DCLATYOQICEGHO-RVMXOQNASA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@H](O)C2)C1 ZINC000872125544 589876221 /nfs/dbraw/zinc/87/62/21/589876221.db2.gz DCLATYOQICEGHO-CYDGBPFRSA-N 1 0 209.333 2.092 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000872140624 589877194 /nfs/dbraw/zinc/87/71/94/589877194.db2.gz UEPQHJMWRHDVNP-YIYPIFLZSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000872139057 589880561 /nfs/dbraw/zinc/88/05/61/589880561.db2.gz DRWXCOFBHJUPGF-IJLUTSLNSA-N 1 0 217.316 2.252 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](CC)COC)CC1 ZINC000872140395 589880985 /nfs/dbraw/zinc/88/09/85/589880985.db2.gz LXIXNUIJRNUCDF-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](COC)C2CC2)CC1 ZINC000872140662 589881593 /nfs/dbraw/zinc/88/15/93/589881593.db2.gz VBQPUPRLGBQDMH-UBHSHLNASA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)CCn2cccn2)CC1 ZINC000872140747 589881689 /nfs/dbraw/zinc/88/16/89/589881689.db2.gz XHHLGTGCLYMMDW-RBSFLKMASA-N 1 0 245.370 2.443 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000872218066 589895643 /nfs/dbraw/zinc/89/56/43/589895643.db2.gz FYAUQDZBALOLOX-GRYCIOLGSA-N 1 0 242.338 2.157 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCCC1CC1 ZINC000872232007 589897766 /nfs/dbraw/zinc/89/77/66/589897766.db2.gz XBTSZVJBUUGGAG-ZDUSSCGKSA-N 1 0 238.375 2.457 20 30 BEEDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2CCCCC#N)[C@@H]1O ZINC000872256379 589900932 /nfs/dbraw/zinc/90/09/32/589900932.db2.gz QLLOTTFFGAUIPI-XQQFMLRXSA-N 1 0 236.359 2.162 20 30 BEEDRO C=C(Cl)CN1CCO[C@@H](C(F)F)CC1 ZINC000872269399 589902909 /nfs/dbraw/zinc/90/29/09/589902909.db2.gz XXGMIEWFVBGXBB-MRVPVSSYSA-N 1 0 225.666 2.095 20 30 BEEDRO CC(CCOCc1ccccc1)=[NH+]n1cnnc1 ZINC000872324708 589912532 /nfs/dbraw/zinc/91/25/32/589912532.db2.gz XSTMPRNUZOSFGN-UHFFFAOYSA-N 1 0 244.298 2.109 20 30 BEEDRO COc1cccc(N=NCC2CC[NH+](C)CC2)c1 ZINC000872338659 589914530 /nfs/dbraw/zinc/91/45/30/589914530.db2.gz LNGHTSDRUOHXCU-UHFFFAOYSA-N 1 0 247.342 2.435 20 30 BEEDRO C[C@H]1CNC(NN=C2CCCCCC2(C)C)=[NH+]1 ZINC000872364379 589920380 /nfs/dbraw/zinc/92/03/80/589920380.db2.gz KBICDHNXPKEQNR-JTQLQIEISA-N 1 0 236.363 2.270 20 30 BEEDRO C[C@H]1C(=NOCc2ccc(F)cc2)CC[N@H+]1C ZINC000872365399 589920538 /nfs/dbraw/zinc/92/05/38/589920538.db2.gz PGWXQAINBGKAKN-JTQLQIEISA-N 1 0 236.290 2.422 20 30 BEEDRO Cc1cccnc1N=NCC1CC[NH+](C)CC1 ZINC000872368755 589922378 /nfs/dbraw/zinc/92/23/78/589922378.db2.gz OWVVEXUKFRRXPW-UHFFFAOYSA-N 1 0 232.331 2.130 20 30 BEEDRO C=CCN[NH+]=Cc1ccccc1NCC ZINC000872373788 589924580 /nfs/dbraw/zinc/92/45/80/589924580.db2.gz QECCZVZEKDISQV-UHFFFAOYSA-N 1 0 203.289 2.228 20 30 BEEDRO CC[C@@H](C)CO[NH+]=Cc1c(C)ccnc1N ZINC000872376430 589925784 /nfs/dbraw/zinc/92/57/84/589925784.db2.gz GOEXESADSDKTFS-SECBINFHSA-N 1 0 221.304 2.369 20 30 BEEDRO Nc1ccc2c(c1)C(=[NH+]N1CCC1)CCCC2 ZINC000872398044 589934185 /nfs/dbraw/zinc/93/41/85/589934185.db2.gz BFXLERCFRLBJEL-UHFFFAOYSA-N 1 0 229.327 2.405 20 30 BEEDRO C#CC[C@H](CCOC)Nc1cc[nH+]cc1C1CC1 ZINC000872619288 589956904 /nfs/dbraw/zinc/95/69/04/589956904.db2.gz CMEIDJQQNVWIRD-CYBMUJFWSA-N 1 0 244.338 2.221 20 30 BEEDRO C=CCCCCCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873127178 589985330 /nfs/dbraw/zinc/98/53/30/589985330.db2.gz NXHKUVCTYAEUGR-ZDUSSCGKSA-N 1 0 238.375 2.381 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2conc2C)CC1 ZINC000873197980 589992086 /nfs/dbraw/zinc/99/20/86/589992086.db2.gz KYVDUYMAHHJVAS-AULYBMBSSA-N 1 0 218.300 2.265 20 30 BEEDRO CC1(C)CC[C@H](CN[C@H]2CCC[C@@H](C#N)C2)[NH2+]C1 ZINC000873237580 590003754 /nfs/dbraw/zinc/00/37/54/590003754.db2.gz RCWDCVMFZAXEGB-HZSPNIEDSA-N 1 0 249.402 2.437 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H]1CCC[C@H]1[NH3+] ZINC000873279602 590017308 /nfs/dbraw/zinc/01/73/08/590017308.db2.gz JLFITTDJJKPGQH-NEPJUHHUSA-N 1 0 210.365 2.448 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)C1CCOCC1 ZINC000125165463 590143320 /nfs/dbraw/zinc/14/33/20/590143320.db2.gz ZUFWNMZXZHBZMI-SECBINFHSA-N 1 0 248.164 2.300 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)C1CCOCC1 ZINC000125165243 590143963 /nfs/dbraw/zinc/14/39/63/590143963.db2.gz ZUFWNMZXZHBZMI-VIFPVBQESA-N 1 0 248.164 2.300 20 30 BEEDRO CCCCCCCC(=O)N(C)CCC[NH2+]C ZINC000125438438 590164140 /nfs/dbraw/zinc/16/41/40/590164140.db2.gz ZCKXKBISNMTURD-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000125746326 590186641 /nfs/dbraw/zinc/18/66/41/590186641.db2.gz BADVTIRZCMCKKR-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO CC(C)[N@H+](C)Cc1cc(C#N)ccc1N(C)C ZINC000876528183 590209267 /nfs/dbraw/zinc/20/92/67/590209267.db2.gz RUTSKUWWYFMREO-UHFFFAOYSA-N 1 0 231.343 2.464 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCC[C@@H]1CCO1 ZINC000876529998 590209512 /nfs/dbraw/zinc/20/95/12/590209512.db2.gz NJFFBXRFZHLXGP-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NC(=O)C#CC2CC2)cc1 ZINC000876538730 590211553 /nfs/dbraw/zinc/21/15/53/590211553.db2.gz VWWPFYPFQDFXDC-JTQLQIEISA-N 1 0 228.295 2.058 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCCCCC1 ZINC000876549206 590214343 /nfs/dbraw/zinc/21/43/43/590214343.db2.gz KGRCVHQRNNYZFZ-NSHDSACASA-N 1 0 244.766 2.295 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1C ZINC000876549795 590214718 /nfs/dbraw/zinc/21/47/18/590214718.db2.gz JCLMJVJOCVZPGC-LSJOCFKGSA-N 1 0 244.766 2.151 20 30 BEEDRO C#CCCCCCC[NH+]1CCN(C2CC2)CC1 ZINC000876563405 590216358 /nfs/dbraw/zinc/21/63/58/590216358.db2.gz GEVYWXMQXADDRT-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)C1CCCC1 ZINC000876590992 590219066 /nfs/dbraw/zinc/21/90/66/590219066.db2.gz GNKWWNGZTXUOPY-LLVKDONJSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H]1C(C)C ZINC000876590725 590219172 /nfs/dbraw/zinc/21/91/72/590219172.db2.gz AKOZMCYBOZFJFW-MNOVXSKESA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC(C)C)C(C)C ZINC000876599942 590220243 /nfs/dbraw/zinc/22/02/43/590220243.db2.gz ARIUDXKXBZAOCQ-NSHDSACASA-N 1 0 246.782 2.349 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(CC)CC1 ZINC000876610354 590221609 /nfs/dbraw/zinc/22/16/09/590221609.db2.gz YJCBYWITJQTVMP-LLVKDONJSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000876635616 590223910 /nfs/dbraw/zinc/22/39/10/590223910.db2.gz ZRIXEOIPEUQWAV-MIMYLULJSA-N 1 0 244.766 2.103 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2N(C)C)C1 ZINC000876636121 590224234 /nfs/dbraw/zinc/22/42/34/590224234.db2.gz CJROVMWCKWVACJ-GFCCVEGCSA-N 1 0 243.354 2.466 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1C ZINC000876635614 590224377 /nfs/dbraw/zinc/22/43/77/590224377.db2.gz ZRIXEOIPEUQWAV-IEBDPFPHSA-N 1 0 244.766 2.103 20 30 BEEDRO CCC[C@H](C[NH+]1CCC(C#N)CC1)OC ZINC000876653576 590226036 /nfs/dbraw/zinc/22/60/36/590226036.db2.gz OROHSQDHJIJRBO-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO CO[C@@](C)(C[NH+]1CCC(C#N)CC1)C1CC1 ZINC000876654046 590226137 /nfs/dbraw/zinc/22/61/37/590226137.db2.gz XTPLYPAGFRTXFI-ZDUSSCGKSA-N 1 0 222.332 2.037 20 30 BEEDRO Cc1cccc(O)c1C[NH+]1CCC(C#N)CC1 ZINC000876653921 590226246 /nfs/dbraw/zinc/22/62/46/590226246.db2.gz WDYKELASBYAXKD-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCC[C@@H]1C ZINC000876663440 590227155 /nfs/dbraw/zinc/22/71/55/590227155.db2.gz VNQZFDQWZDHMCH-QWRGUYRKSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCC[C@H]1C ZINC000876663439 590227245 /nfs/dbraw/zinc/22/72/45/590227245.db2.gz VNQZFDQWZDHMCH-MNOVXSKESA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)CC1(C)C ZINC000876669441 590227944 /nfs/dbraw/zinc/22/79/44/590227944.db2.gz MJXCBKSZXFJECR-WPRPVWTQSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000876669990 590228684 /nfs/dbraw/zinc/22/86/84/590228684.db2.gz CWNLXHXFPKLNTM-LSJOCFKGSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C(C)(C)C(=O)OC ZINC000876678999 590229674 /nfs/dbraw/zinc/22/96/74/590229674.db2.gz UWSCCXNXMFZVEG-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO C=C1CC[NH+](Cc2cnc3c(cnn3C)c2)CC1 ZINC000876693868 590231100 /nfs/dbraw/zinc/23/11/00/590231100.db2.gz BKBHZTSKCKHSSI-UHFFFAOYSA-N 1 0 242.326 2.120 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@](C)(CC)C1 ZINC000876693094 590231239 /nfs/dbraw/zinc/23/12/39/590231239.db2.gz PXAWQTWRTVIQOW-CMPLNLGQSA-N 1 0 244.766 2.105 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1C(C)(C)C1(C)C ZINC000876701606 590231771 /nfs/dbraw/zinc/23/17/71/590231771.db2.gz VHGGROIENCOOBC-MRVPVSSYSA-N 1 0 244.766 2.007 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C1(C)CC1 ZINC000876701405 590231839 /nfs/dbraw/zinc/23/18/39/590231839.db2.gz AZOHWRATCJTXSH-UWVGGRQHSA-N 1 0 244.766 2.103 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC[C@@H](C)O ZINC000876745949 590236389 /nfs/dbraw/zinc/23/63/89/590236389.db2.gz NFEKBVSJYHXHPR-CYBMUJFWSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@](C)(O)C1 ZINC000876790677 590241649 /nfs/dbraw/zinc/24/16/49/590241649.db2.gz BFXSPEZSHMAMIV-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO CC[C@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876887996 590254001 /nfs/dbraw/zinc/25/40/01/590254001.db2.gz LYMFXIIUITUXKC-QMMMGPOBSA-N 1 0 223.707 2.495 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC(C)(C)C ZINC000876936367 590258989 /nfs/dbraw/zinc/25/89/89/590258989.db2.gz HSTIZGUYYNRUHK-JTQLQIEISA-N 1 0 246.782 2.351 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+]C1CCC(C#N)CC1 ZINC000876976423 590263383 /nfs/dbraw/zinc/26/33/83/590263383.db2.gz OKPRWBJBGFGPDP-PNESKVBLSA-N 1 0 244.342 2.080 20 30 BEEDRO CCCCCCCNC(=O)[C@@H](C)[NH2+]CCC ZINC000876987792 590265358 /nfs/dbraw/zinc/26/53/58/590265358.db2.gz JIMKYXZRPOSGKB-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876991575 590266515 /nfs/dbraw/zinc/26/65/15/590266515.db2.gz ZZCADGVVGWWJMZ-GHMZBOCLSA-N 1 0 238.375 2.078 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)c2cccc(C[NH3+])c2)C1 ZINC000876995480 590266615 /nfs/dbraw/zinc/26/66/15/590266615.db2.gz ZGEKONKWEBTTCS-LBPRGKRZSA-N 1 0 244.338 2.184 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)c1nncn1C ZINC000877016457 590269168 /nfs/dbraw/zinc/26/91/68/590269168.db2.gz GNXAXLZHEOFHTD-LBPRGKRZSA-N 1 0 234.347 2.049 20 30 BEEDRO COc1cnc(F)c(C[NH2+]CCCCC#N)c1 ZINC000877018494 590269455 /nfs/dbraw/zinc/26/94/55/590269455.db2.gz NUVQNMMEOCSLII-UHFFFAOYSA-N 1 0 237.278 2.013 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](O)C(C)C ZINC000877035892 590270465 /nfs/dbraw/zinc/27/04/65/590270465.db2.gz BCINZCUMKHXLGT-ZDUSSCGKSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@](C)(O)C1CC1 ZINC000877028848 590271485 /nfs/dbraw/zinc/27/14/85/590271485.db2.gz GFMAXXNRTSJJLB-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000877039402 590272587 /nfs/dbraw/zinc/27/25/87/590272587.db2.gz DTMAGCRLKLRWCI-HIFRSBDPSA-N 1 0 246.354 2.424 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@](C)(O)CSC ZINC000877057118 590275729 /nfs/dbraw/zinc/27/57/29/590275729.db2.gz UTNYBHOXPIJKIV-CYBMUJFWSA-N 1 0 243.416 2.274 20 30 BEEDRO CS[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877068894 590277334 /nfs/dbraw/zinc/27/73/34/590277334.db2.gz UWYHOSIYULQSBC-GWCFXTLKSA-N 1 0 247.367 2.327 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877086789 590280095 /nfs/dbraw/zinc/28/00/95/590280095.db2.gz AYPNYDHBYLUYBT-MRVPVSSYSA-N 1 0 221.691 2.271 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC1(C)CCCC1 ZINC000877129811 590290040 /nfs/dbraw/zinc/29/00/40/590290040.db2.gz FXKQVGSSNAKHDP-GFCCVEGCSA-N 1 0 211.349 2.341 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC[C@H]1C ZINC000877154744 590293288 /nfs/dbraw/zinc/29/32/88/590293288.db2.gz YQEKFYMCZQCQPF-QWHCGFSZSA-N 1 0 223.364 2.000 20 30 BEEDRO C#CCCCCCC[NH2+]CC[C@H](C)[S@](C)=O ZINC000877162299 590294562 /nfs/dbraw/zinc/29/45/62/590294562.db2.gz XNWKUOVPOPBYHE-BBRMVZONSA-N 1 0 243.416 2.317 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877183906 590298065 /nfs/dbraw/zinc/29/80/65/590298065.db2.gz JHFPGTMFMSFBIZ-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877183901 590298042 /nfs/dbraw/zinc/29/80/42/590298042.db2.gz JHFPGTMFMSFBIZ-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccsc1C ZINC000877197014 590299865 /nfs/dbraw/zinc/29/98/65/590299865.db2.gz NADCZUOBKMEMGW-QMMMGPOBSA-N 1 0 244.747 2.465 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](CC)[NH2+]C ZINC000877303379 590310529 /nfs/dbraw/zinc/31/05/29/590310529.db2.gz FBLIAPOQXUXADD-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000877303092 590310009 /nfs/dbraw/zinc/31/00/09/590310009.db2.gz AQJQXMSFEUBYKJ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000877303102 590310299 /nfs/dbraw/zinc/31/02/99/590310299.db2.gz AXTZVXHIRHCLSI-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000877304165 590310441 /nfs/dbraw/zinc/31/04/41/590310441.db2.gz UBVKMNOAEANSPI-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)C(C)(C)C[NH3+] ZINC000877303843 590310942 /nfs/dbraw/zinc/31/09/42/590310942.db2.gz OPKZIAQMYAMVID-UHFFFAOYSA-N 1 0 226.364 2.080 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)c1c[nH+]ccc1N ZINC000877304206 590311034 /nfs/dbraw/zinc/31/10/34/590311034.db2.gz VKCZMZZMCHUUJD-UHFFFAOYSA-N 1 0 247.342 2.216 20 30 BEEDRO C[C@H](C#N)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000877321876 590316386 /nfs/dbraw/zinc/31/63/86/590316386.db2.gz VKOANMDDPHRTPX-NEPJUHHUSA-N 1 0 217.316 2.152 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877322854 590317032 /nfs/dbraw/zinc/31/70/32/590317032.db2.gz DAZAATFPMXRDPW-SSDOTTSWSA-N 1 0 221.131 2.320 20 30 BEEDRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](C)CCC#N ZINC000877325255 590317364 /nfs/dbraw/zinc/31/73/64/590317364.db2.gz FDCQHDJBLIEOMR-YPMHNXCESA-N 1 0 240.347 2.248 20 30 BEEDRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](C)CCC#N ZINC000877325246 590317391 /nfs/dbraw/zinc/31/73/91/590317391.db2.gz FDCQHDJBLIEOMR-AAEUAGOBSA-N 1 0 240.347 2.248 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000877402547 590323904 /nfs/dbraw/zinc/32/39/04/590323904.db2.gz FJYBXWINJYPQJV-ONGXEEELSA-N 1 0 231.299 2.334 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc(C(N)=O)co1 ZINC000877431561 590325926 /nfs/dbraw/zinc/32/59/26/590325926.db2.gz IHBDNBMFXSJFPG-UHFFFAOYSA-N 1 0 248.326 2.052 20 30 BEEDRO CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CCC#N ZINC000877483590 590327953 /nfs/dbraw/zinc/32/79/53/590327953.db2.gz OOYNHGOLDSGNFM-MEBBXXQBSA-N 1 0 232.264 2.213 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CCC=CO1 ZINC000877460134 590331241 /nfs/dbraw/zinc/33/12/41/590331241.db2.gz PUQHVGXCBDSLSF-VXGBXAGGSA-N 1 0 208.305 2.209 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000877469250 590333197 /nfs/dbraw/zinc/33/31/97/590333197.db2.gz SSDYGMYNQVMYQD-KGLIPLIRSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C ZINC000877467313 590333844 /nfs/dbraw/zinc/33/38/44/590333844.db2.gz FEPCGSIHXMFEDG-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)C(=O)N(C)CC ZINC000877469391 590334763 /nfs/dbraw/zinc/33/47/63/590334763.db2.gz UKLPZPHKAQQXBK-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C#C[C@H]([NH2+]CC1CC(OCC)C1)C(C)C ZINC000877513371 590343531 /nfs/dbraw/zinc/34/35/31/590343531.db2.gz SPDUOZDQHOMZGW-BPCQOVAHSA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc2nccnc2c1 ZINC000877512767 590342812 /nfs/dbraw/zinc/34/28/12/590342812.db2.gz ASVAHNNIYHSAIJ-LBPRGKRZSA-N 1 0 225.295 2.131 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(C)cc1O ZINC000877512912 590343584 /nfs/dbraw/zinc/34/35/84/590343584.db2.gz FZVXRTSWEMOLLY-GFCCVEGCSA-N 1 0 203.285 2.202 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)c1cnc(C)nc1C)C(C)C ZINC000877513124 590344176 /nfs/dbraw/zinc/34/41/76/590344176.db2.gz LNMAAWLAXHETER-FZMZJTMJSA-N 1 0 231.343 2.402 20 30 BEEDRO C#C[C@H](CC)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877512892 590344229 /nfs/dbraw/zinc/34/42/29/590344229.db2.gz FHUZZMFSOGSLEI-JGVFFNPUSA-N 1 0 206.116 2.182 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000877513803 590344395 /nfs/dbraw/zinc/34/43/95/590344395.db2.gz CRZRCSRGZPOYGR-OLZOCXBDSA-N 1 0 213.324 2.403 20 30 BEEDRO C#C[C@H]([NH2+]C[C@](C)(OC)C1CC1)C(C)C ZINC000877513429 590345205 /nfs/dbraw/zinc/34/52/05/590345205.db2.gz VTZUMRRGTKLDOK-STQMWFEESA-N 1 0 209.333 2.049 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](CO)C(C)C ZINC000877522023 590346371 /nfs/dbraw/zinc/34/63/71/590346371.db2.gz LNNPQIREOIOKSZ-AWEZNQCLSA-N 1 0 225.376 2.424 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](CO)C(C)C ZINC000877522024 590346393 /nfs/dbraw/zinc/34/63/93/590346393.db2.gz LNNPQIREOIOKSZ-CQSZACIVSA-N 1 0 225.376 2.424 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000877522142 590346626 /nfs/dbraw/zinc/34/66/26/590346626.db2.gz NIIFMPCVYCUMIM-LBPRGKRZSA-N 1 0 215.300 2.231 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)CN(C)C ZINC000877522904 590347220 /nfs/dbraw/zinc/34/72/20/590347220.db2.gz FCEFVSWDBVOOBO-ZDUSSCGKSA-N 1 0 210.365 2.110 20 30 BEEDRO C#C[C@H]([NH2+]C[C@](C)(OC)C1CC1)C(C)(C)C ZINC000877534994 590349799 /nfs/dbraw/zinc/34/97/99/590349799.db2.gz RPAAFUJLMULCIY-JSGCOSHPSA-N 1 0 223.360 2.439 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc(OC)cnc1F ZINC000877565262 590360770 /nfs/dbraw/zinc/36/07/70/590360770.db2.gz WCXXEJBBOQNNFS-UHFFFAOYSA-N 1 0 224.279 2.285 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576805 590363658 /nfs/dbraw/zinc/36/36/58/590363658.db2.gz QCLQJFVXRZVXIM-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](CCC)OC)C1 ZINC000877617311 590374689 /nfs/dbraw/zinc/37/46/89/590374689.db2.gz NQIHMNPHBCROTG-OLZOCXBDSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCOCCC[NH2+]Cc1c(C)cccc1O ZINC000877631254 590378249 /nfs/dbraw/zinc/37/82/49/590378249.db2.gz RZOGAKSVZPAQTL-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](CC)C1CC1)C1CCOCC1 ZINC000877638302 590381767 /nfs/dbraw/zinc/38/17/67/590381767.db2.gz WDNBQJWTQRTDRT-UONOGXRCSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CCCCCCC[NH2+]C1([C@@H](C)O)CC1 ZINC000877637635 590382104 /nfs/dbraw/zinc/38/21/04/590382104.db2.gz KCVUMGLWQJHVNY-GFCCVEGCSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CCC[N@@H+](CCOC)C[C@@H](OC)[C@@H](C)CC ZINC000877641106 590383471 /nfs/dbraw/zinc/38/34/71/590383471.db2.gz LZXWLYOJDNITCO-UONOGXRCSA-N 1 0 241.375 2.019 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000877661048 590386710 /nfs/dbraw/zinc/38/67/10/590386710.db2.gz WDWUUSMKWZXYAY-GMTAPVOTSA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](OC)[C@H](C)CC ZINC000877660835 590387009 /nfs/dbraw/zinc/38/70/09/590387009.db2.gz RSUOXSKXBHIUDK-MCIONIFRSA-N 1 0 241.375 2.066 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)o1 ZINC000877742088 590409660 /nfs/dbraw/zinc/40/96/60/590409660.db2.gz XLMPRVZKCWCSNC-MNOVXSKESA-N 1 0 248.351 2.336 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877751653 590416163 /nfs/dbraw/zinc/41/61/63/590416163.db2.gz IVDAHEDMLFLVCY-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877751652 590416197 /nfs/dbraw/zinc/41/61/97/590416197.db2.gz IVDAHEDMLFLVCY-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000877770025 590421496 /nfs/dbraw/zinc/42/14/96/590421496.db2.gz ATBBCXBUASLSPX-XQQFMLRXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000877807902 590426507 /nfs/dbraw/zinc/42/65/07/590426507.db2.gz YQTXSDDWZPPMBY-RFGFWPKPSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000877807904 590426585 /nfs/dbraw/zinc/42/65/85/590426585.db2.gz YQTXSDDWZPPMBY-YIYPIFLZSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(C(=O)NCCC)CC1 ZINC000877916638 590446904 /nfs/dbraw/zinc/44/69/04/590446904.db2.gz KTPCUFJXRRPOIQ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)NC)cc1 ZINC000877927288 590449260 /nfs/dbraw/zinc/44/92/60/590449260.db2.gz PIWNOEVOTAAXSZ-GFCCVEGCSA-N 1 0 246.354 2.443 20 30 BEEDRO C=CC[C@@H](C)[N@H+](C)Cc1cccc(C(N)=O)c1 ZINC000877989492 590467016 /nfs/dbraw/zinc/46/70/16/590467016.db2.gz VKPSQKHOJPGYIB-LLVKDONJSA-N 1 0 232.327 2.182 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@H+](C)CC1CCCC1 ZINC000878013814 590471352 /nfs/dbraw/zinc/47/13/52/590471352.db2.gz DXTCJJRWNHPKHH-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC1CC[NH+](CC[C@@H](O)C(C)C)CC1 ZINC000878095029 590491450 /nfs/dbraw/zinc/49/14/50/590491450.db2.gz ZVGHGIJNOUPUEG-CYBMUJFWSA-N 1 0 211.349 2.291 20 30 BEEDRO CC(C)[C@H](O)CCN(CC#N)C1CCCC1 ZINC000878120441 590499223 /nfs/dbraw/zinc/49/92/23/590499223.db2.gz LIEZYHZGRICOCM-CYBMUJFWSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(n2ccnc2)CC1 ZINC000878172732 590515435 /nfs/dbraw/zinc/51/54/35/590515435.db2.gz LOSGIJWHUIGNLW-GFCCVEGCSA-N 1 0 219.332 2.485 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(C)C)C1 ZINC000878182630 590518262 /nfs/dbraw/zinc/51/82/62/590518262.db2.gz OVIVGHHXMRJWIH-NWDGAFQWSA-N 1 0 225.332 2.082 20 30 BEEDRO C#CCCCCC[N@@H+](CCO)Cc1cccnc1 ZINC000878194501 590521822 /nfs/dbraw/zinc/52/18/22/590521822.db2.gz XMANNPRJXMMYKP-UHFFFAOYSA-N 1 0 246.354 2.070 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000878203453 590524387 /nfs/dbraw/zinc/52/43/87/590524387.db2.gz PXMOYYGACYXQLO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000878292368 590535485 /nfs/dbraw/zinc/53/54/85/590535485.db2.gz YSXLSKHJHZXVIS-RWMBFGLXSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(Cc2ccncc2)CC1 ZINC000878309381 590540072 /nfs/dbraw/zinc/54/00/72/590540072.db2.gz MIVZOZXTPHEOAQ-AWEZNQCLSA-N 1 0 245.370 2.164 20 30 BEEDRO C=C/C=C/CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000878310614 590540280 /nfs/dbraw/zinc/54/02/80/590540280.db2.gz MMSUFCZVZDOURI-NFAHFFEMSA-N 1 0 247.386 2.284 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000878310995 590540575 /nfs/dbraw/zinc/54/05/75/590540575.db2.gz XIHQUTHIMFLPEK-UONOGXRCSA-N 1 0 235.375 2.117 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(F)F)C2)o1 ZINC000878321301 590545147 /nfs/dbraw/zinc/54/51/47/590545147.db2.gz VBNVGDLNODCZAK-QMMMGPOBSA-N 1 0 226.226 2.238 20 30 BEEDRO C#CCCCCC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000878340415 590550979 /nfs/dbraw/zinc/55/09/79/590550979.db2.gz RTSIZCDZJYOVTD-KGLIPLIRSA-N 1 0 222.376 2.204 20 30 BEEDRO C#CC[N@@H+](C[C@@H]1CCC(C)(C)CO1)C1CC1 ZINC000878434221 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N#CCC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880573967 591098840 /nfs/dbraw/zinc/09/88/40/591098840.db2.gz FQFOYALMSWOPHL-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C#CCCCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000129159983 591260378 /nfs/dbraw/zinc/26/03/78/591260378.db2.gz KVZKOZZIVLUORN-UHFFFAOYSA-N 1 0 245.326 2.225 20 30 BEEDRO Cc1ccc(NC[C@@H](C2CC2)[NH+](C)C)c(C#N)n1 ZINC000881925496 591278988 /nfs/dbraw/zinc/27/89/88/591278988.db2.gz UKEVDKIZCVOTAY-AWEZNQCLSA-N 1 0 244.342 2.014 20 30 BEEDRO C=C1CN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000882612406 591399029 /nfs/dbraw/zinc/39/90/29/591399029.db2.gz HFHFLMMDVTVSHD-UHFFFAOYSA-N 1 0 214.190 2.477 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000130300160 591455332 /nfs/dbraw/zinc/45/53/32/591455332.db2.gz DWQKFWFCUAWNNJ-LLVKDONJSA-N 1 0 236.315 2.292 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H](CO)C1CC1 ZINC000883002965 591504897 /nfs/dbraw/zinc/50/48/97/591504897.db2.gz UJOCCCUUJUNHOY-CQSZACIVSA-N 1 0 247.338 2.112 20 30 BEEDRO C=C(C)C[C@@H](CO)Nc1cc[nH+]c2ccccc12 ZINC000883007154 591508296 /nfs/dbraw/zinc/50/82/96/591508296.db2.gz NASHCNXJWSHWAR-LBPRGKRZSA-N 1 0 242.322 2.396 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(SC)o1 ZINC000883016156 591515881 /nfs/dbraw/zinc/51/58/81/591515881.db2.gz PGKSTTMJVCSAIV-UHFFFAOYSA-N 1 0 241.381 2.458 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883113045 591541493 /nfs/dbraw/zinc/54/14/93/591541493.db2.gz HEUDVJAWZWMSFU-UHFFFAOYSA-N 1 0 219.240 2.052 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000883124651 591544766 /nfs/dbraw/zinc/54/47/66/591544766.db2.gz MCGSCYBQYCFIFF-LBPRGKRZSA-N 1 0 237.730 2.122 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)no1 ZINC000883132835 591546900 /nfs/dbraw/zinc/54/69/00/591546900.db2.gz FYLGZUKCOAJGSC-QWRGUYRKSA-N 1 0 219.288 2.155 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC000883157065 591555551 /nfs/dbraw/zinc/55/55/51/591555551.db2.gz LGVXKMYHFFFURA-WFASDCNBSA-N 1 0 249.329 2.293 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCCO1 ZINC000883164738 591557146 /nfs/dbraw/zinc/55/71/46/591557146.db2.gz NLDSJTMBJHLMII-HZSPNIEDSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1CC1)[C@H]1CCCO1 ZINC000883170597 591558986 /nfs/dbraw/zinc/55/89/86/591558986.db2.gz XNIGXAOGUJPGGX-QWHCGFSZSA-N 1 0 209.333 2.500 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H]2CCCC3(CC3)C2)CC1 ZINC000883187007 591566164 /nfs/dbraw/zinc/56/61/64/591566164.db2.gz DJIJPZVJLXJYNK-CQSZACIVSA-N 1 0 247.386 2.287 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(C)COC1)[C@H]1CCCO1 ZINC000883188991 591566409 /nfs/dbraw/zinc/56/64/09/591566409.db2.gz VMVOJSPDIRWVRH-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cc[nH]n1)[C@@H]1CCCO1 ZINC000883187447 591567085 /nfs/dbraw/zinc/56/70/85/591567085.db2.gz OHOGFKZMODVYER-OLZOCXBDSA-N 1 0 235.331 2.013 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)CCO)[C@H]1CCCO1 ZINC000883194516 591569417 /nfs/dbraw/zinc/56/94/17/591569417.db2.gz XTWKKOARXJRZDN-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCO1 ZINC000883208780 591573556 /nfs/dbraw/zinc/57/35/56/591573556.db2.gz NYZSTGXNBGKYBP-UONOGXRCSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC2(CC2)C1 ZINC000883209986 591573872 /nfs/dbraw/zinc/57/38/72/591573872.db2.gz KXFCSGUTIZVGOR-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@H]([NH2+]CC(C)(C)CO)[C@H]1CCCO1 ZINC000883208089 591573945 /nfs/dbraw/zinc/57/39/45/591573945.db2.gz ZCWLILCDSYSFSJ-QWHCGFSZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCF)[C@H]1CCCO1 ZINC000883208074 591574694 /nfs/dbraw/zinc/57/46/94/591574694.db2.gz YSEUNCNCBUNVDZ-VXGBXAGGSA-N 1 0 215.312 2.449 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCC=C)[C@@H]1CCCO1 ZINC000883215654 591575860 /nfs/dbraw/zinc/57/58/60/591575860.db2.gz CRAFXFYBPKPXAS-KBPBESRZSA-N 1 0 239.359 2.292 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCOCC=C)[C@@H]1CCCO1 ZINC000883215655 591575871 /nfs/dbraw/zinc/57/58/71/591575871.db2.gz CRAFXFYBPKPXAS-KGLIPLIRSA-N 1 0 239.359 2.292 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCOC1)[C@H]1CCCO1 ZINC000883223656 591577336 /nfs/dbraw/zinc/57/73/36/591577336.db2.gz UNAGROGHCYVZTA-MGPQQGTHSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)OC)[C@@H]1CCCO1 ZINC000883235090 591581230 /nfs/dbraw/zinc/58/12/30/591581230.db2.gz UPDOQFSWFUZNAN-UPJWGTAASA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCO1 ZINC000883232736 591581644 /nfs/dbraw/zinc/58/16/44/591581644.db2.gz QSSMTWSFXIZMDY-RFGFWPKPSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)[C@H]1CCCO1 ZINC000883236795 591582974 /nfs/dbraw/zinc/58/29/74/591582974.db2.gz KYWGHYJASOVKTE-SYQHCUMBSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCCF)[C@@H]1CCCO1 ZINC000883237842 591583809 /nfs/dbraw/zinc/58/38/09/591583809.db2.gz LRYHGTOTMMCILY-STQMWFEESA-N 1 0 245.338 2.076 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000883247328 591588646 /nfs/dbraw/zinc/58/86/46/591588646.db2.gz GSWNDJZQIWRXJQ-WDEREUQCSA-N 1 0 235.356 2.358 20 30 BEEDRO CC1(C)CC[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)OC1 ZINC000883249797 591590770 /nfs/dbraw/zinc/59/07/70/591590770.db2.gz QXFRIIJGHAWIHW-FRRDWIJNSA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000883272861 591604956 /nfs/dbraw/zinc/60/49/56/591604956.db2.gz XWVKHUIKBYZKHM-RVMXOQNASA-N 1 0 222.332 2.083 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000883320032 591615126 /nfs/dbraw/zinc/61/51/26/591615126.db2.gz YGBKUAYBCVAGQB-WUHRBBMRSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCN1CC ZINC000883353705 591624870 /nfs/dbraw/zinc/62/48/70/591624870.db2.gz ATPWQGXSTXNLMC-YNEHKIRRSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCN1CC ZINC000883354553 591625062 /nfs/dbraw/zinc/62/50/62/591625062.db2.gz YBJDOCYQQLXJOO-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCC3(COC3)CC2)C1 ZINC000883381689 591638255 /nfs/dbraw/zinc/63/82/55/591638255.db2.gz RFQPWDDFVNECMA-AAEUAGOBSA-N 1 0 234.343 2.227 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cccc(O)c1 ZINC000883390776 591642463 /nfs/dbraw/zinc/64/24/63/591642463.db2.gz TYESIGLRMJAFTA-WCQYABFASA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CC1CCC1 ZINC000883390972 591642906 /nfs/dbraw/zinc/64/29/06/591642906.db2.gz YXKIWXUNJUCGBI-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccccn1 ZINC000883390481 591642978 /nfs/dbraw/zinc/64/29/78/591642978.db2.gz MWNYJWPQKBSSON-VXGBXAGGSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000883391057 591643094 /nfs/dbraw/zinc/64/30/94/591643094.db2.gz ASZDWVPVLZZWKO-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000883391425 591644026 /nfs/dbraw/zinc/64/40/26/591644026.db2.gz JXZHIRTYEHUTNU-OTTFEQOBSA-N 1 0 241.375 2.249 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)C1CCSCC1 ZINC000883391270 591644258 /nfs/dbraw/zinc/64/42/58/591644258.db2.gz HDPYANRRDFZFLO-AAEUAGOBSA-N 1 0 243.416 2.435 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCC(F)(F)CC1 ZINC000883392600 591644909 /nfs/dbraw/zinc/64/49/09/591644909.db2.gz KZBGCCIFLSWWCM-NSHDSACASA-N 1 0 233.302 2.481 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000883392413 591645161 /nfs/dbraw/zinc/64/51/61/591645161.db2.gz HHJRPEAEMWWVBC-FRRDWIJNSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000883392876 591645252 /nfs/dbraw/zinc/64/52/52/591645252.db2.gz PYYIYWLVVOFBQJ-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C)oc1C ZINC000883400000 591646811 /nfs/dbraw/zinc/64/68/11/591646811.db2.gz BDAZDJGUCFGVES-ZDUSSCGKSA-N 1 0 223.316 2.313 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ncc(Cl)s1 ZINC000883400608 591647494 /nfs/dbraw/zinc/64/74/94/591647494.db2.gz QVOARGRECRJTDX-QMMMGPOBSA-N 1 0 246.763 2.213 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000883401701 591648324 /nfs/dbraw/zinc/64/83/24/591648324.db2.gz VMCMPHWUWFTDGH-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CO)CC(=C)C)cc1 ZINC000883400868 591648552 /nfs/dbraw/zinc/64/85/52/591648552.db2.gz XKHGHAQNRMKNEH-HNNXBMFYSA-N 1 0 229.323 2.085 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000883401475 591648774 /nfs/dbraw/zinc/64/87/74/591648774.db2.gz NTWXCYWGLWQVJQ-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000883401331 591648902 /nfs/dbraw/zinc/64/89/02/591648902.db2.gz KFWRCHIAVFCZFD-CQSZACIVSA-N 1 0 248.370 2.169 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000883401769 591649002 /nfs/dbraw/zinc/64/90/02/591649002.db2.gz XVUBMXYHEAWKAE-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+][C@@H](C)COC)cc1 ZINC000131902920 591675149 /nfs/dbraw/zinc/67/51/49/591675149.db2.gz MSMNRKLDAYDQLD-STQMWFEESA-N 1 0 247.338 2.384 20 30 BEEDRO C#CCSCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000132877620 591744190 /nfs/dbraw/zinc/74/41/90/591744190.db2.gz UZYVTUDNLRBDMJ-NWDGAFQWSA-N 1 0 241.400 2.146 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000884013610 591798809 /nfs/dbraw/zinc/79/88/09/591798809.db2.gz NTISZMKXKGPWEC-NEPJUHHUSA-N 1 0 238.375 2.317 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000884027971 591812035 /nfs/dbraw/zinc/81/20/35/591812035.db2.gz SQVFEHNLIMXKAX-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000884035749 591817987 /nfs/dbraw/zinc/81/79/87/591817987.db2.gz FWGOJFKQUFSCBK-ZDUSSCGKSA-N 1 0 226.364 2.078 20 30 BEEDRO C#CCC(C)(C)C(=O)OCCC[NH+](CC)CC ZINC000800202626 591837479 /nfs/dbraw/zinc/83/74/79/591837479.db2.gz DKTPXJZKPZJSGL-UHFFFAOYSA-N 1 0 239.359 2.311 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(CC(C)C)CC1 ZINC000134040508 591875295 /nfs/dbraw/zinc/87/52/95/591875295.db2.gz LRVDAMBULCEJGD-UHFFFAOYSA-N 1 0 223.364 2.293 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000884287102 591894584 /nfs/dbraw/zinc/89/45/84/591894584.db2.gz SRABUVPLSYYATL-GMXVVIOVSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000884287204 591895210 /nfs/dbraw/zinc/89/52/10/591895210.db2.gz VQTLTJFRNPVZDD-LBPRGKRZSA-N 1 0 238.375 2.319 20 30 BEEDRO CN(C)C(=[NH2+])NCC1CCC(C)(C)CC1 ZINC000134250306 591906252 /nfs/dbraw/zinc/90/62/52/591906252.db2.gz DYWCECPCQHJFNA-UHFFFAOYSA-N 1 0 211.353 2.079 20 30 BEEDRO C[C@@H](CNCc1ccc(C#N)o1)[NH+]1CCCCC1 ZINC000135159360 591992635 /nfs/dbraw/zinc/99/26/35/591992635.db2.gz MEGMTSQOUYHUNG-LBPRGKRZSA-N 1 0 247.342 2.115 20 30 BEEDRO C#CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000884613535 591994199 /nfs/dbraw/zinc/99/41/99/591994199.db2.gz OQOGRIZKOZPURS-OAHLLOKOSA-N 1 0 239.322 2.068 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000135172460 591994741 /nfs/dbraw/zinc/99/47/41/591994741.db2.gz KXTWPIKUUOXQCG-UHFFFAOYSA-N 1 0 248.326 2.081 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000135505661 592015423 /nfs/dbraw/zinc/01/54/23/592015423.db2.gz KDNDNGLIXZWDMH-JTQLQIEISA-N 1 0 216.284 2.231 20 30 BEEDRO C=CC[NH2+]Cc1ccc(OC)c(OC)c1F ZINC000885894088 592106289 /nfs/dbraw/zinc/10/62/89/592106289.db2.gz HBRHETMRBISGGL-UHFFFAOYSA-N 1 0 225.263 2.119 20 30 BEEDRO CC1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885943717 592112212 /nfs/dbraw/zinc/11/22/12/592112212.db2.gz AQHJBSNGQLHJIN-CYBMUJFWSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885945081 592112844 /nfs/dbraw/zinc/11/28/44/592112844.db2.gz ZLUJSLGLJYDXSB-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO CC[N@H+](CC(C)C)C[C@H](O)CC1(C#N)CCC1 ZINC000885951155 592113858 /nfs/dbraw/zinc/11/38/58/592113858.db2.gz AQQZHGVCWCQRBZ-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H]1C[C@]12CCOC2 ZINC000885954035 592113974 /nfs/dbraw/zinc/11/39/74/592113974.db2.gz LLXMHPXGTRGCGH-STQMWFEESA-N 1 0 207.317 2.087 20 30 BEEDRO C[N@@H+](Cc1ccoc1)C[C@H](O)CC1(C#N)CCC1 ZINC000885962606 592115574 /nfs/dbraw/zinc/11/55/74/592115574.db2.gz CYOBEZJGVQQHLJ-CYBMUJFWSA-N 1 0 248.326 2.156 20 30 BEEDRO C=CC[N@H+](C[C@@H]1C[C@@]12CCOC2)C(C)C ZINC000885960841 592115677 /nfs/dbraw/zinc/11/56/77/592115677.db2.gz QMOYWFCAXLTGOV-QWHCGFSZSA-N 1 0 209.333 2.309 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000885983978 592121362 /nfs/dbraw/zinc/12/13/62/592121362.db2.gz UWVLQJCOPMGGMR-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO CC[N@H+](C[C@H](O)CC1(C#N)CCC1)CC1CC1 ZINC000886005969 592128280 /nfs/dbraw/zinc/12/82/80/592128280.db2.gz LTDOUTSRFFKQKH-CYBMUJFWSA-N 1 0 236.359 2.163 20 30 BEEDRO CC[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1CCC1 ZINC000886014963 592131455 /nfs/dbraw/zinc/13/14/55/592131455.db2.gz SXYOMUBFGSWYAI-ZDUSSCGKSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1C[C@@]12CCOC2 ZINC000886030329 592136666 /nfs/dbraw/zinc/13/66/66/592136666.db2.gz JIJSTNNMZMUSIW-UONOGXRCSA-N 1 0 234.343 2.039 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886038860 592139427 /nfs/dbraw/zinc/13/94/27/592139427.db2.gz CIDAHMNLKGZXEL-JHJVBQTASA-N 1 0 236.359 2.304 20 30 BEEDRO CN(CCC#N)c1ccc(C[NH2+]CCCF)cc1 ZINC000136505772 592140413 /nfs/dbraw/zinc/14/04/13/592140413.db2.gz MHADXQJWZCUOBH-UHFFFAOYSA-N 1 0 249.333 2.486 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000886057868 592141303 /nfs/dbraw/zinc/14/13/03/592141303.db2.gz ZQSKCHWRZWUADF-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886062645 592141569 /nfs/dbraw/zinc/14/15/69/592141569.db2.gz TYHBSWWRHNMNLJ-GBXSZLQWSA-N 1 0 235.302 2.366 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(Cl)cn1 ZINC000886060231 592141777 /nfs/dbraw/zinc/14/17/77/592141777.db2.gz XSKGIYLUZURKNZ-UHFFFAOYSA-N 1 0 209.680 2.128 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](C3CC3)C2)CCC1 ZINC000886098739 592148144 /nfs/dbraw/zinc/14/81/44/592148144.db2.gz QOKLBHLZRLFCCZ-UONOGXRCSA-N 1 0 248.370 2.163 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CC[C@H](C2CC2)O1)C1CC1 ZINC000886136675 592161050 /nfs/dbraw/zinc/16/10/50/592161050.db2.gz UAQWKPPUQMNWJB-UONOGXRCSA-N 1 0 219.328 2.042 20 30 BEEDRO C#CC[N@H+](C[C@H]1CCC2(CCC2)CO1)C1CC1 ZINC000886136645 592161092 /nfs/dbraw/zinc/16/10/92/592161092.db2.gz STWWSVDSMAKGIT-CQSZACIVSA-N 1 0 233.355 2.433 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCC2(CCC2)CO1 ZINC000886173057 592169188 /nfs/dbraw/zinc/16/91/88/592169188.db2.gz DXAVXCILIOOAOS-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C/C=C/c1cccc(F)c1 ZINC000886173427 592169891 /nfs/dbraw/zinc/16/98/91/592169891.db2.gz OZTZUAZYHFGNTD-SBJJXXPASA-N 1 0 247.313 2.467 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886176695 592170955 /nfs/dbraw/zinc/17/09/55/592170955.db2.gz JETYPUCUSFYBNK-ZIAGYGMSSA-N 1 0 248.370 2.472 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2CCC3(CC3)CC2)C1 ZINC000886210773 592177570 /nfs/dbraw/zinc/17/75/70/592177570.db2.gz BKEKVQGLVXJICQ-HNNXBMFYSA-N 1 0 246.398 2.396 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC000886213734 592178031 /nfs/dbraw/zinc/17/80/31/592178031.db2.gz ZOTSEEFCLWAERO-AWEZNQCLSA-N 1 0 246.329 2.013 20 30 BEEDRO CC1(C)CC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886228887 592181273 /nfs/dbraw/zinc/18/12/73/592181273.db2.gz HKEMGILZJJGUQV-RYUDHWBXSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886274166 592194373 /nfs/dbraw/zinc/19/43/73/592194373.db2.gz NTVPNOMYDCEBHR-IHRRRGAJSA-N 1 0 234.343 2.039 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886297756 592202355 /nfs/dbraw/zinc/20/23/55/592202355.db2.gz ZKTLLEPGOXDNIR-NSHDSACASA-N 1 0 247.298 2.388 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886297720 592202521 /nfs/dbraw/zinc/20/25/21/592202521.db2.gz YPZIWFIHGPSLST-MGPQQGTHSA-N 1 0 221.344 2.311 20 30 BEEDRO N#Cc1cc(NCC[NH+]2CCCCCC2)ccn1 ZINC000061811907 592208906 /nfs/dbraw/zinc/20/89/06/592208906.db2.gz VFNOCACTCUENTG-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](CCCC)C(=O)OC)C1 ZINC000886357874 592215369 /nfs/dbraw/zinc/21/53/69/592215369.db2.gz MXBSWBPBSYUSGX-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2cccnc2)C1 ZINC000886358250 592216985 /nfs/dbraw/zinc/21/69/85/592216985.db2.gz RRLSVTZHAUCSMQ-STQMWFEESA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@H](CCCC)C(=O)OC)C1 ZINC000886357871 592217115 /nfs/dbraw/zinc/21/71/15/592217115.db2.gz MXBSWBPBSYUSGX-CHWSQXEVSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCCCOC)C1 ZINC000886358075 592217157 /nfs/dbraw/zinc/21/71/57/592217157.db2.gz PCTKNTIHCAGHNI-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccn(C(C)C)n2)C1 ZINC000886358437 592217215 /nfs/dbraw/zinc/21/72/15/592217215.db2.gz UWMCXEZTTRABSB-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000886364374 592218463 /nfs/dbraw/zinc/21/84/63/592218463.db2.gz YBYHVCMLSPULJI-INIZCTEOSA-N 1 0 223.319 2.383 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC000886365273 592219588 /nfs/dbraw/zinc/21/95/88/592219588.db2.gz DZEHZMRVWFSEGI-GFCCVEGCSA-N 1 0 214.312 2.114 20 30 BEEDRO C#CCC1([NH2+]CC=C(C)C)CCOCC1 ZINC000886381823 592222199 /nfs/dbraw/zinc/22/21/99/592222199.db2.gz UCVYEHIBJOPGBQ-UHFFFAOYSA-N 1 0 207.317 2.115 20 30 BEEDRO C#CCC1([NH2+]Cc2ccsc2)CCOCC1 ZINC000886381935 592222380 /nfs/dbraw/zinc/22/23/80/592222380.db2.gz YQARUBZJUJCAOY-UHFFFAOYSA-N 1 0 235.352 2.410 20 30 BEEDRO C#CCC1([NH2+]Cc2ccccc2)CCOCC1 ZINC000886384552 592222481 /nfs/dbraw/zinc/22/24/81/592222481.db2.gz WUAMGGAIAVDFMY-UHFFFAOYSA-N 1 0 229.323 2.349 20 30 BEEDRO CCCCCCC[N@@H+]1CCCn2nncc2C1 ZINC000886457898 592227375 /nfs/dbraw/zinc/22/73/75/592227375.db2.gz SWCMINOGVBXVIQ-UHFFFAOYSA-N 1 0 236.363 2.454 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568554 592263871 /nfs/dbraw/zinc/26/38/71/592263871.db2.gz NKSKVSWWSGUZRH-GASCZTMLSA-N 1 0 243.375 2.333 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCC#N)c1cnn(C)c1 ZINC000886588834 592270603 /nfs/dbraw/zinc/27/06/03/592270603.db2.gz ZZXMRPAXRKTCJH-GFCCVEGCSA-N 1 0 220.320 2.011 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886604979 592274372 /nfs/dbraw/zinc/27/43/72/592274372.db2.gz HHHRUDHTOYTIKM-GRYCIOLGSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886619306 592277081 /nfs/dbraw/zinc/27/70/81/592277081.db2.gz YWQFVHGZWCUUIV-WDEREUQCSA-N 1 0 225.332 2.130 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCc2cccnc21 ZINC000886628311 592281503 /nfs/dbraw/zinc/28/15/03/592281503.db2.gz MHLLPKOLYVOCJT-IHRRRGAJSA-N 1 0 244.338 2.250 20 30 BEEDRO C=CCC[NH2+][C@@H](c1cnn(C)c1)C(C)C ZINC000886636804 592285657 /nfs/dbraw/zinc/28/56/57/592285657.db2.gz VKGSSEYCUGTOHY-GFCCVEGCSA-N 1 0 207.321 2.283 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000886650243 592288715 /nfs/dbraw/zinc/28/87/15/592288715.db2.gz SFRIMXSLOAIKRA-XUXIUFHCSA-N 1 0 249.354 2.110 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC)C2)CC1 ZINC000886650242 592289511 /nfs/dbraw/zinc/28/95/11/592289511.db2.gz SFRIMXSLOAIKRA-XDQVBPFNSA-N 1 0 249.354 2.110 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2ccsc2)C1 ZINC000886659076 592293178 /nfs/dbraw/zinc/29/31/78/592293178.db2.gz BTGQMDLVTLWPSD-TZMCWYRMSA-N 1 0 248.395 2.496 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)[C@@H](C)CC=C)C1 ZINC000886660845 592293481 /nfs/dbraw/zinc/29/34/81/592293481.db2.gz HHEOVMCOPMXQHQ-ZNMIVQPWSA-N 1 0 234.387 2.274 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)C(C)(C)C)C1 ZINC000886660658 592293548 /nfs/dbraw/zinc/29/35/48/592293548.db2.gz CHCCROVTCXAZDA-CHWSQXEVSA-N 1 0 222.376 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2ccco2)C1 ZINC000886659877 592293779 /nfs/dbraw/zinc/29/37/79/592293779.db2.gz XRXAWKSMTBFIOJ-CHWSQXEVSA-N 1 0 232.327 2.028 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)[C@H]2C[C@H]2C)C1 ZINC000886662770 592294276 /nfs/dbraw/zinc/29/42/76/592294276.db2.gz LWHIRWCZAHTSJA-CBBWQLFWSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000886661296 592294765 /nfs/dbraw/zinc/29/47/65/592294765.db2.gz QYLUSSPBAAVZMB-JSGCOSHPSA-N 1 0 232.327 2.028 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)CCC=C)C1 ZINC000886661523 592294904 /nfs/dbraw/zinc/29/49/04/592294904.db2.gz WFMNHVXKZBNRHO-CABCVRRESA-N 1 0 234.387 2.418 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](CC)[C@@H]2C[C@@H]2C)C1 ZINC000886662769 592295206 /nfs/dbraw/zinc/29/52/06/592295206.db2.gz LWHIRWCZAHTSJA-BYNSBNAKSA-N 1 0 234.387 2.108 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CCC2CC2)C1 ZINC000886662832 592295300 /nfs/dbraw/zinc/29/53/00/592295300.db2.gz MVIDRJGGLRMBED-HIFRSBDPSA-N 1 0 234.387 2.252 20 30 BEEDRO C=CCC1(O)CC[NH+](CCCCCOC)CC1 ZINC000886763738 592317982 /nfs/dbraw/zinc/31/79/82/592317982.db2.gz CYWHRGLTCHWEAD-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886815593 592338432 /nfs/dbraw/zinc/33/84/32/592338432.db2.gz GLFVDGBWOTVUKU-MNOVXSKESA-N 1 0 215.724 2.240 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821732 592344821 /nfs/dbraw/zinc/34/48/21/592344821.db2.gz GNMYPOLFUJOVND-IHRRRGAJSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886830052 592351894 /nfs/dbraw/zinc/35/18/94/592351894.db2.gz LNXYKBXPXXENAS-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(Cl)CN1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886874037 592377610 /nfs/dbraw/zinc/37/76/10/592377610.db2.gz FBISRNDBYWAHJJ-LBPRGKRZSA-N 1 0 228.767 2.205 20 30 BEEDRO C=C1CCC(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000886922146 592396850 /nfs/dbraw/zinc/39/68/50/592396850.db2.gz UPIYZFYWYABSGT-DGCLKSJQSA-N 1 0 236.359 2.071 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1CCc2c1cccc2F ZINC000886922940 592397010 /nfs/dbraw/zinc/39/70/10/592397010.db2.gz GHJLEYJQMYXKBW-HZMBPMFUSA-N 1 0 248.301 2.331 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCc2c1cccc2F ZINC000886927826 592397784 /nfs/dbraw/zinc/39/77/84/592397784.db2.gz YSEVUKXAXOHPOC-KGLIPLIRSA-N 1 0 235.302 2.340 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(C3(O)CCC3)CCC2)C1 ZINC000886980942 592405703 /nfs/dbraw/zinc/40/57/03/592405703.db2.gz OWGCQPLJOAUHNV-QWHCGFSZSA-N 1 0 248.370 2.354 20 30 BEEDRO C#CCC1([NH2+][C@H]2C=CCCC2)CCOCC1 ZINC000887124713 592447590 /nfs/dbraw/zinc/44/75/90/592447590.db2.gz PXIFRSBALGCLIP-ZDUSSCGKSA-N 1 0 219.328 2.257 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C1(C2CC2)CCC1 ZINC000887145309 592460679 /nfs/dbraw/zinc/46/06/79/592460679.db2.gz XPKZLGQDMDGTEL-NSHDSACASA-N 1 0 217.316 2.352 20 30 BEEDRO C=C(CNC(=[NH2+])NCC1CC1)c1ccccc1 ZINC000887359333 592489783 /nfs/dbraw/zinc/48/97/83/592489783.db2.gz PKFCNTCRNWMXAM-UHFFFAOYSA-N 1 0 229.327 2.224 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)C1CC1 ZINC000887370149 592494242 /nfs/dbraw/zinc/49/42/42/592494242.db2.gz HWPSZNGYESIPQF-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000300585887 592515639 /nfs/dbraw/zinc/51/56/39/592515639.db2.gz OKTBBCZZAWZLJV-KFWWJZLASA-N 1 0 244.338 2.370 20 30 BEEDRO COc1ccc([C@H](C)[NH2+]CCO[C@@H](C)C#N)cc1 ZINC000302365206 592546463 /nfs/dbraw/zinc/54/64/63/592546463.db2.gz KHTBJZUEZUMAIL-RYUDHWBXSA-N 1 0 248.326 2.274 20 30 BEEDRO COc1ccc([C@H](C)[NH2+]CCO[C@H](C)C#N)cc1 ZINC000302365200 592546974 /nfs/dbraw/zinc/54/69/74/592546974.db2.gz KHTBJZUEZUMAIL-NEPJUHHUSA-N 1 0 248.326 2.274 20 30 BEEDRO COc1ccccc1[C@H](C)[NH2+]CCO[C@@H](C)C#N ZINC000302370701 592546997 /nfs/dbraw/zinc/54/69/97/592546997.db2.gz KUSGRGDLHHIGNK-RYUDHWBXSA-N 1 0 248.326 2.274 20 30 BEEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1ccc(C#N)cc1 ZINC000302395859 592547658 /nfs/dbraw/zinc/54/76/58/592547658.db2.gz NSMOWCRJBMBXPM-NWDGAFQWSA-N 1 0 243.310 2.138 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000302456636 592548344 /nfs/dbraw/zinc/54/83/44/592548344.db2.gz YARYOCNWGPYESO-CQSZACIVSA-N 1 0 246.310 2.385 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000302546072 592549530 /nfs/dbraw/zinc/54/95/30/592549530.db2.gz ZIGZFCGUGCJAPD-NSHDSACASA-N 1 0 232.327 2.461 20 30 BEEDRO CCCCCCCNC(=O)[C@H]([NH3+])CCSC ZINC000106234728 592703545 /nfs/dbraw/zinc/70/35/45/592703545.db2.gz SSNDYZYTRPDNKZ-LLVKDONJSA-N 1 0 246.420 2.153 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CCCN[C@@H]1C ZINC000925703031 634379706 /nfs/dbraw/zinc/37/97/06/634379706.db2.gz SBAIMAVGMFIQLS-CHWSQXEVSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925709789 634407037 /nfs/dbraw/zinc/40/70/37/634407037.db2.gz OLOSYSWFVNNYIY-DZGCQCFKSA-N 1 0 248.370 2.257 20 30 BEEDRO N#CC1(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)CCCCC1 ZINC000925711642 634412488 /nfs/dbraw/zinc/41/24/88/634412488.db2.gz ZGQAZQOAXSVFSE-CHWSQXEVSA-N 1 0 247.386 2.320 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H]1COCC ZINC000313207684 634456933 /nfs/dbraw/zinc/45/69/33/634456933.db2.gz KSNOVHPXUIOGNH-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000313481064 634475974 /nfs/dbraw/zinc/47/59/74/634475974.db2.gz JQRYVMSZCDEPEO-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ncc(Cl)n1C ZINC000313491831 634476466 /nfs/dbraw/zinc/47/64/66/634476466.db2.gz BAHCPJYKQMFGLC-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1ccccc1 ZINC000313561008 634491237 /nfs/dbraw/zinc/49/12/37/634491237.db2.gz SHWLRNLMOKXBPX-UONOGXRCSA-N 1 0 217.312 2.112 20 30 BEEDRO C[C@@]1(C2CCCCC2)CC[N@@H+]1C[C@H](O)CC#N ZINC000931571867 634600656 /nfs/dbraw/zinc/60/06/56/634600656.db2.gz WVIHMEIFEZOLPO-KGLIPLIRSA-N 1 0 236.359 2.306 20 30 BEEDRO C#CCC[N@H+]1CC[C@]2(CC(F)(F)C2(F)F)C1 ZINC000931914610 635423449 /nfs/dbraw/zinc/42/34/49/635423449.db2.gz UVJWMXYXTVPXFU-VIFPVBQESA-N 1 0 235.224 2.376 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CC[C@@H](C)O1 ZINC000232001382 635509107 /nfs/dbraw/zinc/50/91/07/635509107.db2.gz WXAZHEOYMGUDRG-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@H]1CCc2ccccc21 ZINC000178574801 635525794 /nfs/dbraw/zinc/52/57/94/635525794.db2.gz WJIBRBNPSQAGRA-CYBMUJFWSA-N 1 0 245.370 2.373 20 30 BEEDRO CC(C)[C@@H](C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000178580394 635528711 /nfs/dbraw/zinc/52/87/11/635528711.db2.gz RSBNTORYJFSBLR-RYUDHWBXSA-N 1 0 225.380 2.325 20 30 BEEDRO CO[C@@H](C[N@@H+]1CCC[C@@H](C#N)C1)C1CCC1 ZINC000932153260 635602059 /nfs/dbraw/zinc/60/20/59/635602059.db2.gz YDJFXHNVCNJLMX-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2=CCCCCC2)C1 ZINC001022006552 631215765 /nfs/dbraw/zinc/21/57/65/631215765.db2.gz GLCHIUDVCPIWPE-OKILXGFUSA-N 1 0 248.370 2.300 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308366407 631238665 /nfs/dbraw/zinc/23/86/65/631238665.db2.gz LSXXBJNGAZYNOH-VHSXEESVSA-N 1 0 215.724 2.286 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308366405 631304368 /nfs/dbraw/zinc/30/43/68/631304368.db2.gz LSXXBJNGAZYNOH-UWVGGRQHSA-N 1 0 215.724 2.286 20 30 BEEDRO C=C(Cl)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933370865 631334094 /nfs/dbraw/zinc/33/40/94/631334094.db2.gz QESJHTLAWJFTEJ-JTQLQIEISA-N 1 0 215.724 2.430 20 30 BEEDRO C=C(Cl)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933370870 631334706 /nfs/dbraw/zinc/33/47/06/631334706.db2.gz QESJHTLAWJFTEJ-SNVBAGLBSA-N 1 0 215.724 2.430 20 30 BEEDRO C#CCC[NH2+][C@]1(C)CCOc2ccccc21 ZINC000933374004 631338169 /nfs/dbraw/zinc/33/81/69/631338169.db2.gz IZZOOLWHJBUPSS-CQSZACIVSA-N 1 0 215.296 2.297 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933377268 631342469 /nfs/dbraw/zinc/34/24/69/631342469.db2.gz AZTNTXHPUWSXQM-QWHCGFSZSA-N 1 0 239.359 2.005 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)O)[C@@H]1CCCc2ccccc21 ZINC000933421794 631374035 /nfs/dbraw/zinc/37/40/35/631374035.db2.gz WXYAJPWTPJEDPS-XJKSGUPXSA-N 1 0 243.350 2.380 20 30 BEEDRO C=CCC[NH2+][C@](C)(CO)Cc1ccc(OC)cc1 ZINC000933426337 631375028 /nfs/dbraw/zinc/37/50/28/631375028.db2.gz WFDPNFDODQZFBU-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](Cc2nc(C)no2)C1 ZINC000933563309 631414730 /nfs/dbraw/zinc/41/47/30/631414730.db2.gz AWWIAYVYGIMXSO-CYBMUJFWSA-N 1 0 247.342 2.046 20 30 BEEDRO C/C=C/C[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926203936 631425831 /nfs/dbraw/zinc/42/58/31/631425831.db2.gz ZVNVSDXHNRCBNU-CYLBZQBVSA-N 1 0 224.348 2.231 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CC(C(F)F)C1 ZINC000308582033 631435522 /nfs/dbraw/zinc/43/55/22/631435522.db2.gz GVRJEUKOMRMENY-QJAFJHJLSA-N 1 0 202.248 2.312 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000926228423 631486114 /nfs/dbraw/zinc/48/61/14/631486114.db2.gz HRXWSFNQNHFTCQ-VXGBXAGGSA-N 1 0 246.358 2.116 20 30 BEEDRO N#CCCCCNC(=[NH2+])NC1CCCCCC1 ZINC000092278060 631550944 /nfs/dbraw/zinc/55/09/44/631550944.db2.gz DJVCRNHESOXATM-UHFFFAOYSA-N 1 0 236.363 2.307 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCSC)cc1 ZINC000308730953 631559311 /nfs/dbraw/zinc/55/93/11/631559311.db2.gz JKVTXENJMYGEDI-UHFFFAOYSA-N 1 0 205.326 2.121 20 30 BEEDRO CCC#CCOC(=O)c1cccc(C[NH+](C)C)c1 ZINC000893840784 635631105 /nfs/dbraw/zinc/63/11/05/635631105.db2.gz XDTOTIBVXVNULM-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CCO)C2CCCC2)C1 ZINC000934010182 631587123 /nfs/dbraw/zinc/58/71/23/631587123.db2.gz WLRDGCCTNNSAAY-KWCYVHTRSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CCO)C2CCCC2)C1 ZINC000934010184 631588824 /nfs/dbraw/zinc/58/88/24/631588824.db2.gz WLRDGCCTNNSAAY-MRVWCRGKSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCCCC[C@H]1C ZINC000308780810 631646842 /nfs/dbraw/zinc/64/68/42/631646842.db2.gz COUYJCKMRSWPOF-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CCCC[C@H](C)[N@H+](C)CCO[C@@H](C)C#N ZINC000308795823 631647822 /nfs/dbraw/zinc/64/78/22/631647822.db2.gz CGGUGRIETJMILH-RYUDHWBXSA-N 1 0 212.337 2.426 20 30 BEEDRO CO[C@H]1CC[C@H]1[N@H+](C)CCc1ccc(C#N)cc1 ZINC000934110534 631684314 /nfs/dbraw/zinc/68/43/14/631684314.db2.gz ZQWDNEULNVPQRL-CABCVRRESA-N 1 0 244.338 2.210 20 30 BEEDRO C#CCCC[NH2+]Cc1c(Cl)nc(Cl)n1C ZINC000308885168 631715911 /nfs/dbraw/zinc/71/59/11/631715911.db2.gz SGCJCTPUUITYBN-UHFFFAOYSA-N 1 0 246.141 2.230 20 30 BEEDRO C#CC/[NH+]=C\c1ccc(N(CC)CC)cc1O ZINC000255438880 631708647 /nfs/dbraw/zinc/70/86/47/631708647.db2.gz JFHQMLZBDXIGFT-PTNGSMBKSA-N 1 0 230.311 2.291 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ncco1 ZINC000926344026 631718522 /nfs/dbraw/zinc/71/85/22/631718522.db2.gz TWILQWJVSVSOQA-TUAOUCFPSA-N 1 0 236.315 2.306 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000308900626 631723068 /nfs/dbraw/zinc/72/30/68/631723068.db2.gz BUOXBPYIZJFHAR-UHFFFAOYSA-N 1 0 224.691 2.439 20 30 BEEDRO CC(C)[C@@H]1COCC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000926346782 631725859 /nfs/dbraw/zinc/72/58/59/631725859.db2.gz WOSDHHSXDGLPNE-QWHCGFSZSA-N 1 0 236.359 2.331 20 30 BEEDRO N#CCCC[NH2+]Cc1c(O)cccc1Cl ZINC000308942053 631744309 /nfs/dbraw/zinc/74/43/09/631744309.db2.gz QQBMPMAKSSRPDQ-UHFFFAOYSA-N 1 0 224.691 2.439 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C2(C)CC(=C)C2)C1 ZINC001022675576 631752293 /nfs/dbraw/zinc/75/22/93/631752293.db2.gz ZGLYCKQWRAKQPX-BETUJISGSA-N 1 0 248.370 2.156 20 30 BEEDRO C#CCCC[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000308968271 631775077 /nfs/dbraw/zinc/77/50/77/631775077.db2.gz XJBWYAGYNIRZNQ-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@@H](C[NH2+]CCC#N)Cc1ccccc1 ZINC000309007662 631799115 /nfs/dbraw/zinc/79/91/15/631799115.db2.gz QKUVJVGFXIHQML-GFCCVEGCSA-N 1 0 202.301 2.368 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccncc1CC ZINC000309034400 631807901 /nfs/dbraw/zinc/80/79/01/631807901.db2.gz HGBCPUNDECWYCM-NSHDSACASA-N 1 0 202.301 2.318 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccc(C(=O)NC)cc1 ZINC000934460408 631846382 /nfs/dbraw/zinc/84/63/82/631846382.db2.gz IFCTYVWXRINQLO-CQSZACIVSA-N 1 0 244.338 2.197 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H]1CCN(C(C)(C)C)C1=O ZINC000934460571 631848587 /nfs/dbraw/zinc/84/85/87/631848587.db2.gz QQBDPRYYPCUNHQ-NEPJUHHUSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1[nH]c(C)nc1C ZINC000934459447 631850159 /nfs/dbraw/zinc/85/01/59/631850159.db2.gz BSKAYMVITQMWJC-NSHDSACASA-N 1 0 205.305 2.177 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)Cc1ccccc1 ZINC000934459589 631850856 /nfs/dbraw/zinc/85/08/56/631850856.db2.gz GJQYUQPWXDHUFI-LSDHHAIUSA-N 1 0 231.339 2.240 20 30 BEEDRO C=CC[C@H]1CCN1[C@@H](C)c1nnc(CC)[nH]1 ZINC000934459940 631851806 /nfs/dbraw/zinc/85/18/06/631851806.db2.gz NTKWGHCKXDCUPK-UWVGGRQHSA-N 1 0 220.320 2.079 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](OC)C1CCC1 ZINC000934460998 631852029 /nfs/dbraw/zinc/85/20/29/631852029.db2.gz UZHFTOOKLDNIAV-OLZOCXBDSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCc1cscn1 ZINC000934462478 631855493 /nfs/dbraw/zinc/85/54/93/631855493.db2.gz DTOIMOGGFZXZQK-LLVKDONJSA-N 1 0 208.330 2.336 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CC1(O)CCCCC1 ZINC000934461629 631857419 /nfs/dbraw/zinc/85/74/19/631857419.db2.gz ZARDKQDYXLKOOM-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCn1nc(C)cc1C ZINC000934461767 631858284 /nfs/dbraw/zinc/85/82/84/631858284.db2.gz ZPQGGWFNAOKMGD-CYBMUJFWSA-N 1 0 219.332 2.150 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)N1CCCC[C@@H]1C ZINC000934472880 631865835 /nfs/dbraw/zinc/86/58/35/631865835.db2.gz RBADIKJJZOIGOV-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOC[C@]1(C)C1CC1 ZINC000934477642 631870244 /nfs/dbraw/zinc/87/02/44/631870244.db2.gz GBGKOEUSDPVMDA-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CSC(C)(C)C[NH2+]Cc1nc(C#N)cs1 ZINC000309081091 631876181 /nfs/dbraw/zinc/87/61/81/631876181.db2.gz PRGUIYVRMUOZRF-UHFFFAOYSA-N 1 0 241.385 2.246 20 30 BEEDRO C#C[C@H]1CCCCN1Cc1ccn(C(C)C)n1 ZINC000934512218 631894202 /nfs/dbraw/zinc/89/42/02/631894202.db2.gz HASQVOPBWMVGMX-AWEZNQCLSA-N 1 0 231.343 2.452 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCCCCCCO ZINC000934512586 631895002 /nfs/dbraw/zinc/89/50/02/631895002.db2.gz RBQLBDYPXGMROM-AWEZNQCLSA-N 1 0 223.360 2.417 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1cccc(F)c1 ZINC000934512045 631895592 /nfs/dbraw/zinc/89/55/92/631895592.db2.gz YAANGMCLUCKNSQ-HUUCEWRRSA-N 1 0 247.313 2.347 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1Cc1cnccc1C ZINC000934514223 631896286 /nfs/dbraw/zinc/89/62/86/631896286.db2.gz GFYDRPULYDNQTF-AWEZNQCLSA-N 1 0 214.312 2.378 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CC[C@H]1COC(C)(C)O1 ZINC000934515054 631896580 /nfs/dbraw/zinc/89/65/80/631896580.db2.gz GFHWKZZPRSVDRX-STQMWFEESA-N 1 0 237.343 2.016 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCCCC1)[C@H]1CCCO1 ZINC000308844573 631908473 /nfs/dbraw/zinc/90/84/73/631908473.db2.gz OQYJQMSLPUDAEE-CHWSQXEVSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)C1CCCCC1 ZINC000309159830 631913735 /nfs/dbraw/zinc/91/37/35/631913735.db2.gz YNRRFUAKOFKNEY-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H](C)C#N ZINC000309189257 631925149 /nfs/dbraw/zinc/92/51/49/631925149.db2.gz PJGPOPUJHPQOHC-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000309168190 631926586 /nfs/dbraw/zinc/92/65/86/631926586.db2.gz JZOBLQMZWZEOQJ-JTQLQIEISA-N 1 0 203.289 2.231 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000934573099 631944357 /nfs/dbraw/zinc/94/43/57/631944357.db2.gz BKRCSMAWJGZQDJ-NWDGAFQWSA-N 1 0 217.328 2.362 20 30 BEEDRO C=CCCC[N@@H+](CC)C[C@@H](O)COC(C)C ZINC000934646763 632002508 /nfs/dbraw/zinc/00/25/08/632002508.db2.gz UREJSQVWOKXMKJ-CYBMUJFWSA-N 1 0 229.364 2.060 20 30 BEEDRO C[C@]12CSC[C@H]1C[N@@H+]([C@@H]1CC[C@@H](C#N)C1)C2 ZINC000934765059 632061832 /nfs/dbraw/zinc/06/18/32/632061832.db2.gz BRESLIIZPJUKDC-LPWJVIDDSA-N 1 0 236.384 2.364 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc2ccccc2c1 ZINC000161549031 632077524 /nfs/dbraw/zinc/07/75/24/632077524.db2.gz YVMFGHJZOFQILT-UHFFFAOYSA-N 1 0 239.322 2.430 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(C#N)ccn2)C1 ZINC000044364650 632092757 /nfs/dbraw/zinc/09/27/57/632092757.db2.gz VNROZAKUXGJLNZ-CYBMUJFWSA-N 1 0 244.342 2.095 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(C#N)cn2)C1 ZINC000044364630 632093466 /nfs/dbraw/zinc/09/34/66/632093466.db2.gz QOTFBGMIKUFKBL-CYBMUJFWSA-N 1 0 244.342 2.095 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CC1CCOCC1 ZINC000052172792 632094209 /nfs/dbraw/zinc/09/42/09/632094209.db2.gz OPRPWRDHQYYUAS-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)[C@]2(C)C=CCC2)CC1 ZINC000949711858 632107327 /nfs/dbraw/zinc/10/73/27/632107327.db2.gz LKAQPFCMDZLPDC-OAHLLOKOSA-N 1 0 248.370 2.063 20 30 BEEDRO CC(C)[C@H]1COCC[C@H]1[NH2+]CCCCC#N ZINC000924940880 635794685 /nfs/dbraw/zinc/79/46/85/635794685.db2.gz BHCPAQKWFAQVFK-CHWSQXEVSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CCCCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000924940921 635794887 /nfs/dbraw/zinc/79/48/87/635794887.db2.gz BXIVTUSPMAPXRM-CQSZACIVSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]CCF ZINC000894218808 635753408 /nfs/dbraw/zinc/75/34/08/635753408.db2.gz DULBVPDDLWUNPY-UHFFFAOYSA-N 1 0 206.264 2.234 20 30 BEEDRO CCCC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CC1(C)C ZINC000841634601 632441920 /nfs/dbraw/zinc/44/19/20/632441920.db2.gz VDNZPMZCDLCPJF-VHSXEESVSA-N 1 0 236.363 2.126 20 30 BEEDRO CC(C)CN(CCC#N)Cc1ccnc(N)c1 ZINC000052724298 632468846 /nfs/dbraw/zinc/46/88/46/632468846.db2.gz NTMYMHAQMGQNCT-UHFFFAOYSA-N 1 0 232.331 2.035 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000158436738 632470912 /nfs/dbraw/zinc/47/09/12/632470912.db2.gz ONOGLXFLNVUJAG-ZDUSSCGKSA-N 1 0 239.265 2.001 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)c1 ZINC000926552273 632486962 /nfs/dbraw/zinc/48/69/62/632486962.db2.gz TWXAEIKSGFOCPK-LALPHHSUSA-N 1 0 229.323 2.181 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000935214594 632530810 /nfs/dbraw/zinc/53/08/10/632530810.db2.gz SMCGVCLJHOAIOA-YNEHKIRRSA-N 1 0 238.375 2.140 20 30 BEEDRO C#C[C@H]([NH2+]CCc1cccs1)[C@H]1CCCO1 ZINC000309591061 632550218 /nfs/dbraw/zinc/55/02/18/632550218.db2.gz ZGNRMAJXEJPYHG-QWHCGFSZSA-N 1 0 235.352 2.061 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCCC)[C@H]1CCCO1 ZINC000309165576 632658347 /nfs/dbraw/zinc/65/83/47/632658347.db2.gz IUTKCGQCZFZBND-RWMBFGLXSA-N 1 0 209.333 2.336 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@@H](C[NH2+]CC)C1 ZINC001024093597 632670845 /nfs/dbraw/zinc/67/08/45/632670845.db2.gz XSMJUFPMOPOEGN-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCCCC[NH2+]Cc1ncc(COC)s1 ZINC000309856495 632676461 /nfs/dbraw/zinc/67/64/61/632676461.db2.gz KQUVKIWSKBVGLF-UHFFFAOYSA-N 1 0 238.356 2.183 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCCCC ZINC000310017969 632694924 /nfs/dbraw/zinc/69/49/24/632694924.db2.gz LSUCXCGKTNPQNL-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000310033703 632696562 /nfs/dbraw/zinc/69/65/62/632696562.db2.gz SCIUTCBKDLWIBK-CMPLNLGQSA-N 1 0 216.284 2.174 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccco1 ZINC001024302795 632728006 /nfs/dbraw/zinc/72/80/06/632728006.db2.gz AKWVQJSSYSSERK-LBPRGKRZSA-N 1 0 248.326 2.050 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)c1ccnn1C ZINC000235514751 632772289 /nfs/dbraw/zinc/77/22/89/632772289.db2.gz UOKUNWMAVFUUMT-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926684656 632819447 /nfs/dbraw/zinc/81/94/47/632819447.db2.gz HVSWOFOFPNHAHH-STQMWFEESA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926684653 632820016 /nfs/dbraw/zinc/82/00/16/632820016.db2.gz HVSWOFOFPNHAHH-CHWSQXEVSA-N 1 0 208.349 2.169 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926686398 632821129 /nfs/dbraw/zinc/82/11/29/632821129.db2.gz WAFSUHNATJIIJY-CHWSQXEVSA-N 1 0 211.349 2.483 20 30 BEEDRO CCCCO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000154511135 632835821 /nfs/dbraw/zinc/83/58/21/632835821.db2.gz XTUDGRLJWDHQBO-UHFFFAOYSA-N 1 0 235.331 2.190 20 30 BEEDRO C#CCCc1noc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000923881738 632911977 /nfs/dbraw/zinc/91/19/77/632911977.db2.gz AVZIFPOFSDCBSQ-LLVKDONJSA-N 1 0 233.315 2.181 20 30 BEEDRO CC[NH+]=C(NCCC1CC1)NC(C)(C)C ZINC000126568931 635857619 /nfs/dbraw/zinc/85/76/19/635857619.db2.gz GLLKYXJFYGJVDR-UHFFFAOYSA-N 1 0 211.353 2.140 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CCC(C)C ZINC000309336195 632947099 /nfs/dbraw/zinc/94/70/99/632947099.db2.gz ASJYYSCUDHMNCX-GFCCVEGCSA-N 1 0 247.404 2.002 20 30 BEEDRO C#CCCCCC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000180150162 632952982 /nfs/dbraw/zinc/95/29/82/632952982.db2.gz NEDWFGNAVZLEGO-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCc2cccnc21 ZINC000229642051 632984381 /nfs/dbraw/zinc/98/43/81/632984381.db2.gz PHQRZFBKSCUUOD-ZDUSSCGKSA-N 1 0 214.312 2.462 20 30 BEEDRO CC[C@H](C[NH2+]CC#Cc1ccccc1)OC ZINC000309372582 632989335 /nfs/dbraw/zinc/98/93/35/632989335.db2.gz QJHWZGUDBMGJNU-CQSZACIVSA-N 1 0 217.312 2.053 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000229897128 632998789 /nfs/dbraw/zinc/99/87/89/632998789.db2.gz FNINMLTUSNWPJR-CYBMUJFWSA-N 1 0 216.328 2.254 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(OC)c1F ZINC000229967932 633004524 /nfs/dbraw/zinc/00/45/24/633004524.db2.gz SFROALJOSIZWEM-NSHDSACASA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C)CC1)[C@H]1CCCO1 ZINC000309389123 633005250 /nfs/dbraw/zinc/00/52/50/633005250.db2.gz FMRBQLXRUYUFLO-NWINJMCUSA-N 1 0 221.344 2.336 20 30 BEEDRO CC(C)(C#N)CCC[NH2+][C@@H](CCO)C1CC1 ZINC000309388615 633005591 /nfs/dbraw/zinc/00/55/91/633005591.db2.gz TXZUKWYSNRHCIM-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1nnnn1C1CC1 ZINC000249711675 633010968 /nfs/dbraw/zinc/01/09/68/633010968.db2.gz YOFZDKVFHAOSDI-HBNTYKKESA-N 1 0 249.362 2.259 20 30 BEEDRO CO[C@@](C)(C[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000310893915 633015451 /nfs/dbraw/zinc/01/54/51/633015451.db2.gz VDJHRAIHPJESML-INIZCTEOSA-N 1 0 243.350 2.443 20 30 BEEDRO CC(C)(C)CCNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000782902424 633030530 /nfs/dbraw/zinc/03/05/30/633030530.db2.gz AHFZGOKYAWMJAF-LBPRGKRZSA-N 1 0 223.364 2.236 20 30 BEEDRO C#C[C@@H]([NH2+]CCSC(C)(C)C)[C@H]1CCCO1 ZINC000309423133 633051366 /nfs/dbraw/zinc/05/13/66/633051366.db2.gz AFRXZQWEADQNJX-VXGBXAGGSA-N 1 0 241.400 2.289 20 30 BEEDRO Cc1cc(C#N)nc(NCC[C@H](C)[NH+](C)C)c1 ZINC000894521245 635903555 /nfs/dbraw/zinc/90/35/55/635903555.db2.gz LHJMMIONJGOBIY-NSHDSACASA-N 1 0 232.331 2.014 20 30 BEEDRO [NH2+]=C(NCCc1ccsc1)N1CCCCC1 ZINC000170903942 633177412 /nfs/dbraw/zinc/17/74/12/633177412.db2.gz SXFJLEJEQFTTKP-UHFFFAOYSA-N 1 0 237.372 2.091 20 30 BEEDRO CN(C)C(=[NH2+])NCCCCCc1ccccc1 ZINC000170914823 633179295 /nfs/dbraw/zinc/17/92/95/633179295.db2.gz IFYCBNQIPCBLGS-UHFFFAOYSA-N 1 0 233.359 2.276 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc2oc(=O)oc2c1)C(C)C ZINC000894738321 635918901 /nfs/dbraw/zinc/91/89/01/635918901.db2.gz QZVGZMSXYOBFJM-NSHDSACASA-N 1 0 245.278 2.133 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cn(CC)nc1C ZINC000894739014 635919251 /nfs/dbraw/zinc/91/92/51/635919251.db2.gz WQUVZXKIMBYGMV-KGLIPLIRSA-N 1 0 249.358 2.035 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(C)(O)CC1 ZINC000894738773 635919579 /nfs/dbraw/zinc/91/95/79/635919579.db2.gz UKVUNWIZWQHBJN-DKNRTOFZSA-N 1 0 239.359 2.003 20 30 BEEDRO C#CCCC[NH2+]Cc1[nH]nc2ccccc21 ZINC000309566524 633201476 /nfs/dbraw/zinc/20/14/76/633201476.db2.gz QSSOGWVHGLMVCF-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894738891 635920093 /nfs/dbraw/zinc/92/00/93/635920093.db2.gz ZOOJXXOZCCNFIN-LBPRGKRZSA-N 1 0 233.311 2.211 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@@H](O)C(C)(C)C ZINC000304258401 635938713 /nfs/dbraw/zinc/93/87/13/635938713.db2.gz SPIWDLAWADQMQQ-GFCCVEGCSA-N 1 0 226.364 2.265 20 30 BEEDRO Cc1cnc([C@H](C)[NH2+]CCO[C@H](C)C#N)s1 ZINC000304290734 635938887 /nfs/dbraw/zinc/93/88/87/635938887.db2.gz YXZHFAQGVBTISL-SCZZXKLOSA-N 1 0 239.344 2.031 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)CCc1cccs1 ZINC000304268835 635939210 /nfs/dbraw/zinc/93/92/10/635939210.db2.gz VHNBLPZSOJCABR-LLVKDONJSA-N 1 0 238.356 2.151 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)Cc1ccccc1 ZINC000306680560 635973579 /nfs/dbraw/zinc/97/35/79/635973579.db2.gz LHYQZMFNVGFAIL-CYBMUJFWSA-N 1 0 232.327 2.437 20 30 BEEDRO C=CCCCC[NH+]1CCC2(CC1)COCCO2 ZINC000880547036 635997490 /nfs/dbraw/zinc/99/74/90/635997490.db2.gz AAGZVPLSBLHHCY-UHFFFAOYSA-N 1 0 239.359 2.224 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000162003980 636033400 /nfs/dbraw/zinc/03/34/00/636033400.db2.gz GCAMELOTVUGWRY-GFCCVEGCSA-N 1 0 216.328 2.427 20 30 BEEDRO C#CCCCC[NH2+]Cc1c(CC)nn(C)c1CC ZINC000163219146 636035574 /nfs/dbraw/zinc/03/55/74/636035574.db2.gz OXSURGUUZWKXFW-UHFFFAOYSA-N 1 0 247.386 2.438 20 30 BEEDRO C#CC[N@H+](C)CCCc1cccc(C)c1 ZINC000192231927 636049783 /nfs/dbraw/zinc/04/97/83/636049783.db2.gz VGEIXNVZOKUFBQ-UHFFFAOYSA-N 1 0 201.313 2.493 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CCC1(C)C ZINC000909471210 636084352 /nfs/dbraw/zinc/08/43/52/636084352.db2.gz DMKGOWMAGISRTC-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCNc1ccccn1 ZINC000925125731 636128612 /nfs/dbraw/zinc/12/86/12/636128612.db2.gz LHTJHAKXFFLKKM-LBPRGKRZSA-N 1 0 246.358 2.411 20 30 BEEDRO CCCCNC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000174059991 633732272 /nfs/dbraw/zinc/73/22/72/633732272.db2.gz HEKDPBGJQHMJRR-ZDUSSCGKSA-N 1 0 245.370 2.421 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccsc1C ZINC000328115691 633733233 /nfs/dbraw/zinc/73/32/33/633733233.db2.gz PDUXHICTAJDYGF-UHFFFAOYSA-N 1 0 236.384 2.101 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926866515 633734636 /nfs/dbraw/zinc/73/46/36/633734636.db2.gz XWOXUULIIKFFHS-NWDGAFQWSA-N 1 0 224.348 2.231 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC000328194101 633743488 /nfs/dbraw/zinc/74/34/88/633743488.db2.gz QVXNPXHCPKNEMJ-UHFFFAOYSA-N 1 0 244.382 2.348 20 30 BEEDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1(C#N)CC1 ZINC000926873308 633757429 /nfs/dbraw/zinc/75/74/29/633757429.db2.gz FJGCRHAPMWMZBG-RYUDHWBXSA-N 1 0 224.348 2.209 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000926873490 633757515 /nfs/dbraw/zinc/75/75/15/633757515.db2.gz GFEHKSLFWVIHBI-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000926873476 633758143 /nfs/dbraw/zinc/75/81/43/633758143.db2.gz GFEHKSLFWVIHBI-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[C@H](C[C@](C)(O)CC)[NH2+]CC1(C#N)CC1 ZINC000926873309 633758758 /nfs/dbraw/zinc/75/87/58/633758758.db2.gz FJGCRHAPMWMZBG-VXGBXAGGSA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc(F)cc1C ZINC000893093730 633828437 /nfs/dbraw/zinc/82/84/37/633828437.db2.gz XRSCIMHQNWOLDD-UHFFFAOYSA-N 1 0 206.264 2.032 20 30 BEEDRO C#CCCCC[NH2+][C@H](COC)CC(C)C ZINC000308970559 633837840 /nfs/dbraw/zinc/83/78/40/633837840.db2.gz ZBSKMKPPGLXVTB-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO CC[C@@H]1CN(C)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930585802 633913152 /nfs/dbraw/zinc/91/31/52/633913152.db2.gz KOYWZJZXBMRVNB-YMAMQOFZSA-N 1 0 249.402 2.342 20 30 BEEDRO CN(C(=[NH2+])NCCCc1cccc(F)c1)C1CC1 ZINC000181478648 633916655 /nfs/dbraw/zinc/91/66/55/633916655.db2.gz CMSPDMBAXBJUAA-UHFFFAOYSA-N 1 0 249.333 2.167 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000309472314 633924701 /nfs/dbraw/zinc/92/47/01/633924701.db2.gz RFPAQJLIVHZGKG-JTQLQIEISA-N 1 0 217.316 2.157 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccnc1Cl ZINC000309596503 633962836 /nfs/dbraw/zinc/96/28/36/633962836.db2.gz USRRNUVOYDOMLZ-JTQLQIEISA-N 1 0 240.734 2.009 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](C)CC(C)C)[C@H]1CCCO1 ZINC000309641660 633981976 /nfs/dbraw/zinc/98/19/76/633981976.db2.gz UUBAMPCLOZMGIE-MELADBBJSA-N 1 0 223.360 2.439 20 30 BEEDRO COC[C@@H]1CCC[N@H+](C[C@@H](C#N)CCC#N)CC1 ZINC000930676222 634019794 /nfs/dbraw/zinc/01/97/94/634019794.db2.gz MDRBJRAMMWJFFN-ZIAGYGMSSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CC)CCCC ZINC000310005075 634067185 /nfs/dbraw/zinc/06/71/85/634067185.db2.gz GHDYKVZKHYLXNH-GFCCVEGCSA-N 1 0 247.404 2.146 20 30 BEEDRO CCCCCCC[NH2+]C1CCN(C=O)CC1 ZINC000310029313 634091754 /nfs/dbraw/zinc/09/17/54/634091754.db2.gz QPOLVMQBNSPVFX-UHFFFAOYSA-N 1 0 226.364 2.167 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)C[C@](C)(O)CC ZINC000925692699 634324057 /nfs/dbraw/zinc/32/40/57/634324057.db2.gz ADPKNNBZTIQRCZ-BFHYXJOUSA-N 1 0 243.391 2.090 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000776738437 634325759 /nfs/dbraw/zinc/32/57/59/634325759.db2.gz ALRVTNVSGJKAOU-ZWNOBZJWSA-N 1 0 247.317 2.052 20 30 BEEDRO C[NH+](C)C1(C)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000931353138 634370140 /nfs/dbraw/zinc/37/01/40/634370140.db2.gz ZYPJZZQHZABSEP-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308360516 634374748 /nfs/dbraw/zinc/37/47/48/634374748.db2.gz GHKVVXIFIFYJEA-SDDRHHMPSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@H](CO)[NH2+]CCc1ccc(F)c(F)c1 ZINC000893567330 635167277 /nfs/dbraw/zinc/16/72/77/635167277.db2.gz LWBTYUAPWLEWLX-LLVKDONJSA-N 1 0 241.281 2.034 20 30 BEEDRO N#CCCNC/C=C/c1ccc(F)c(F)c1 ZINC000336663481 635198884 /nfs/dbraw/zinc/19/88/84/635198884.db2.gz DACOOXVEQSERBO-HNQUOIGGSA-N 1 0 222.238 2.481 20 30 BEEDRO C=CCC[N@@H+]1CCCN(C(=O)c2ccco2)CC1 ZINC000980629534 635247900 /nfs/dbraw/zinc/24/79/00/635247900.db2.gz CUFPZKRKBLKNIP-UHFFFAOYSA-N 1 0 248.326 2.004 20 30 BEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CC1CCC(C#N)CC1 ZINC000931699005 635249062 /nfs/dbraw/zinc/24/90/62/635249062.db2.gz RHKUZFRMPIEITC-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO CC[C@@H]1C[C@@H](C[NH2+]CC(C)(C)C#N)CCO1 ZINC000336746049 635257984 /nfs/dbraw/zinc/25/79/84/635257984.db2.gz WARCIZGIEPIVND-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000980726888 635262404 /nfs/dbraw/zinc/26/24/04/635262404.db2.gz CIZLSFHDBUUBKC-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccco2)C1 ZINC000980868468 635293246 /nfs/dbraw/zinc/29/32/46/635293246.db2.gz HJCIVHRAJRTBOG-VXGBXAGGSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CCC[N@@H+]1CCCN(C(=O)/C=C/C2CC2)CC1 ZINC000980901021 635294988 /nfs/dbraw/zinc/29/49/88/635294988.db2.gz JFSDDLYKBAQAGF-BQYQJAHWSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC000980980436 635307645 /nfs/dbraw/zinc/30/76/45/635307645.db2.gz PFUHPZSNRJWJIU-ZIAGYGMSSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC000981004511 635309972 /nfs/dbraw/zinc/30/99/72/635309972.db2.gz YZOAIWVTLCVNGJ-KBPBESRZSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2=CCCC2)C1 ZINC000981004512 635310424 /nfs/dbraw/zinc/31/04/24/635310424.db2.gz YZOAIWVTLCVNGJ-KGLIPLIRSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[N@H+]1CCCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC000981699487 635388054 /nfs/dbraw/zinc/38/80/54/635388054.db2.gz ZCLCVTQGUPVTOS-ACAGNQJTSA-N 1 0 248.370 2.063 20 30 BEEDRO Cc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)cc1C#N ZINC000925838330 635497913 /nfs/dbraw/zinc/49/79/13/635497913.db2.gz LRAJHXWITZIADL-IUODEOHRSA-N 1 0 243.354 2.097 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2=CCCC2)C1 ZINC001028479296 635690659 /nfs/dbraw/zinc/69/06/59/635690659.db2.gz HISLWTCYUUMQAI-CYBMUJFWSA-N 1 0 248.370 2.111 20 30 BEEDRO CCCCCCCCN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000250819713 635700966 /nfs/dbraw/zinc/70/09/66/635700966.db2.gz KTGAMBNLMBWENV-UONOGXRCSA-N 1 0 242.407 2.395 20 30 BEEDRO C[N@H+](CCCOC(F)(F)F)CC(C)(C)C#N ZINC000878649598 635767132 /nfs/dbraw/zinc/76/71/32/635767132.db2.gz AKFGROWUJWDCAR-UHFFFAOYSA-N 1 0 238.253 2.394 20 30 BEEDRO CC/[NH+]=C(/N(C)C)N1CC[C@H](CC(C)C)C1 ZINC000429093474 636059309 /nfs/dbraw/zinc/05/93/09/636059309.db2.gz KXDGEGLSVWBBNW-HUTFPVNGSA-N 1 0 225.380 2.292 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000895438424 636144033 /nfs/dbraw/zinc/14/40/33/636144033.db2.gz BYYZNTQFHHTMMA-YNEHKIRRSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cncc2ccccc21 ZINC000320461950 636247806 /nfs/dbraw/zinc/24/78/06/636247806.db2.gz ZQALDYUYJZOIHU-AWEZNQCLSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)C2CC=CC2)CC1 ZINC000985351867 636283971 /nfs/dbraw/zinc/28/39/71/636283971.db2.gz JRUBWHDBSPXIPH-UHFFFAOYSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+](C)C1CCN(C(=O)/C(C)=C\C)CC1 ZINC000985364906 636285439 /nfs/dbraw/zinc/28/54/39/636285439.db2.gz VHRZHEPAGCYLDJ-SDQBBNPISA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(CC)CC)[C@@H]1C ZINC000985999085 636463310 /nfs/dbraw/zinc/46/33/10/636463310.db2.gz BYZBMZSGKGZXMZ-DGCLKSJQSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)/C=C(\C)C2CC2)[C@H]1C ZINC000985994932 636463320 /nfs/dbraw/zinc/46/33/20/636463320.db2.gz OPZIFHZHLIMGCB-XVQHWYGASA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)[C@H]1C ZINC000986087332 636495931 /nfs/dbraw/zinc/49/59/31/636495931.db2.gz XRWMBNJECSOGEU-GXTWGEPZSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)[C@H]1C ZINC000986134134 636528885 /nfs/dbraw/zinc/52/88/85/636528885.db2.gz COILJMCEBNHXKK-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(F)=C(C)C)[C@@H]1C ZINC000986144854 636534249 /nfs/dbraw/zinc/53/42/49/636534249.db2.gz DPSYTQOKYFOIHC-GHMZBOCLSA-N 1 0 240.322 2.015 20 30 BEEDRO CC[C@H](C)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897396299 636577688 /nfs/dbraw/zinc/57/76/88/636577688.db2.gz IDLMCXOPWGLQNJ-NSHDSACASA-N 1 0 232.331 2.001 20 30 BEEDRO C=CCCCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897418095 636624176 /nfs/dbraw/zinc/62/41/76/636624176.db2.gz CHGBELVTEJZRHV-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000799726959 636639956 /nfs/dbraw/zinc/63/99/56/636639956.db2.gz XCVXSNKMAIWQRE-ZLKJLUDKSA-N 1 0 248.301 2.141 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000321410967 636646678 /nfs/dbraw/zinc/64/66/78/636646678.db2.gz JGLFNKASYBMRFT-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccccc2)C1 ZINC000987852885 636670655 /nfs/dbraw/zinc/67/06/55/636670655.db2.gz FEQNGAQEIXFECZ-GXTWGEPZSA-N 1 0 244.338 2.065 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)CCC)C1 ZINC000987839151 636670751 /nfs/dbraw/zinc/67/07/51/636670751.db2.gz HHMQKYIEPDOGPW-QWRGUYRKSA-N 1 0 244.766 2.118 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(C)(C)C)C1 ZINC000988056379 636677817 /nfs/dbraw/zinc/67/78/17/636677817.db2.gz KOQYWSBDVRAORD-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)/C(C)=C\C)C1 ZINC000988513914 636732135 /nfs/dbraw/zinc/73/21/35/636732135.db2.gz PFAMMPODLNNMDG-BLJGWETHSA-N 1 0 236.359 2.108 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000321983786 636789609 /nfs/dbraw/zinc/78/96/09/636789609.db2.gz CZHGKGCHJJPQFR-GRYCIOLGSA-N 1 0 211.374 2.377 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CC23CC(O)C3)C1 ZINC000897844751 636837511 /nfs/dbraw/zinc/83/75/11/636837511.db2.gz VHQLRGXUQJMOJY-LRUBOHGLSA-N 1 0 221.344 2.234 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885583 636843366 /nfs/dbraw/zinc/84/33/66/636843366.db2.gz NRBXGSCBHWTODV-OCCSQVGLSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C1CC(CCO)C1 ZINC000898011654 636851952 /nfs/dbraw/zinc/85/19/52/636851952.db2.gz SDAXWGHPAHIEKD-OTTFEQOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000898012140 636853081 /nfs/dbraw/zinc/85/30/81/636853081.db2.gz ZASZWUQBWDVFNN-IALDZJHCSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)/C=C\C2CC2)CC1 ZINC000990594494 636975841 /nfs/dbraw/zinc/97/58/41/636975841.db2.gz JBVUTSSLDKJGIC-WAYWQWQTSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCCO1 ZINC000927025104 636994409 /nfs/dbraw/zinc/99/44/09/636994409.db2.gz ZTDZDHWHGNZMGS-FRRDWIJNSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)OCCCCC#N ZINC000923892234 637007852 /nfs/dbraw/zinc/00/78/52/637007852.db2.gz OFXXWWCZJLADMG-LBPRGKRZSA-N 1 0 238.331 2.096 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c1 ZINC000898387491 637040632 /nfs/dbraw/zinc/04/06/32/637040632.db2.gz PCYQHSQXSOVMAD-GJZGRUSLSA-N 1 0 242.322 2.073 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2([C@H]3CCCCO3)CC2)C1 ZINC000927161256 637071111 /nfs/dbraw/zinc/07/11/11/637071111.db2.gz PKDLJJKEIKCVKP-FRRDWIJNSA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCON)c1ccco1 ZINC000902426105 637305813 /nfs/dbraw/zinc/30/58/13/637305813.db2.gz QJYVQCXVQBLLPD-NSHDSACASA-N 1 0 224.304 2.157 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000903093205 637343127 /nfs/dbraw/zinc/34/31/27/637343127.db2.gz HBFKTLNLNRSADA-MCIONIFRSA-N 1 0 241.375 2.251 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903131874 637346104 /nfs/dbraw/zinc/34/61/04/637346104.db2.gz KYEZORMXEIGTOF-KGLIPLIRSA-N 1 0 241.375 2.494 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1c(C)noc1C ZINC000163099477 637350733 /nfs/dbraw/zinc/35/07/33/637350733.db2.gz APEBDLHZDDPSSG-SECBINFHSA-N 1 0 206.289 2.355 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1OC ZINC000903167732 637351727 /nfs/dbraw/zinc/35/17/27/637351727.db2.gz OVPWBMIMWQGVPM-MQYQWHSLSA-N 1 0 239.359 2.125 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000903167159 637352315 /nfs/dbraw/zinc/35/23/15/637352315.db2.gz HPDNWZKGRRSRDP-PQAZSJQKSA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000903186742 637355526 /nfs/dbraw/zinc/35/55/26/637355526.db2.gz TUVVVYPJASBACT-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)CC#N ZINC000903186745 637355765 /nfs/dbraw/zinc/35/57/65/637355765.db2.gz TUVVVYPJASBACT-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCNC(=O)Nc1ccccc1C[NH3+] ZINC000904636763 637447286 /nfs/dbraw/zinc/44/72/86/637447286.db2.gz NLMXDUNOUDYQBR-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C[N@@H+]1CC[C@H]1C/N=C\c1cc(Cl)ccc1O ZINC000905002479 637539296 /nfs/dbraw/zinc/53/92/96/637539296.db2.gz IPWZRZGBWSIYRH-ODYDIQAQSA-N 1 0 238.718 2.169 20 30 BEEDRO C=C(CC)Cn1cc(C[NH2+]C(C)(C)C)nn1 ZINC000905057070 637593773 /nfs/dbraw/zinc/59/37/73/637593773.db2.gz JHGVHOXKRNCANN-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC000905292268 637726122 /nfs/dbraw/zinc/72/61/22/637726122.db2.gz PGKDIDNUBDSZCE-CYBMUJFWSA-N 1 0 234.299 2.040 20 30 BEEDRO C=C(CC)C[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905277869 637734395 /nfs/dbraw/zinc/73/43/95/637734395.db2.gz AOPBCMPXBVEZCS-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CC(C)(C)Cc1nc(C2([NH3+])CCC2)no1 ZINC000905303946 637763077 /nfs/dbraw/zinc/76/30/77/637763077.db2.gz GUURFFXLWZZXQG-UHFFFAOYSA-N 1 0 221.304 2.162 20 30 BEEDRO C[C@](O)(C[NH2+]CC1(C#N)CCCCC1)C(F)F ZINC000905385052 637784395 /nfs/dbraw/zinc/78/43/95/637784395.db2.gz NKKZZIFCXSFFMW-NSHDSACASA-N 1 0 246.301 2.066 20 30 BEEDRO N#CCC[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000905626602 637862384 /nfs/dbraw/zinc/86/23/84/637862384.db2.gz WPYUXVITHZJNRP-CQSZACIVSA-N 1 0 230.311 2.194 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CCS1 ZINC000905611778 637867310 /nfs/dbraw/zinc/86/73/10/637867310.db2.gz YFFKMCYORPMITD-UTUOFQBUSA-N 1 0 237.372 2.304 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)C1CC1 ZINC000905641617 637880158 /nfs/dbraw/zinc/88/01/58/637880158.db2.gz TYJHSRASOJVCDB-GFCCVEGCSA-N 1 0 238.375 2.313 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C(C)C)[C@H]1C ZINC001074935232 711445428 /nfs/dbraw/zinc/44/54/28/711445428.db2.gz BAOZUWWAXDCEQH-AVGNSLFASA-N 1 0 238.375 2.044 20 30 BEEDRO C=CCCCCn1cc(C[NH2+]C(C)C)nn1 ZINC000905791777 637931577 /nfs/dbraw/zinc/93/15/77/637931577.db2.gz GLJDYXCEBXOJLU-UHFFFAOYSA-N 1 0 222.336 2.132 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@@H]1C[C@H]1C1CC1 ZINC000905844879 637961241 /nfs/dbraw/zinc/96/12/41/637961241.db2.gz DGZIKPUUQCTZFA-BNOWGMLFSA-N 1 0 231.343 2.456 20 30 BEEDRO CCC1(C)C[NH+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000905954884 638002827 /nfs/dbraw/zinc/00/28/27/638002827.db2.gz DBBSYAYIXWWOOU-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cn(C3CC3)nn2)C1 ZINC000906313483 638141407 /nfs/dbraw/zinc/14/14/07/638141407.db2.gz PRFKGDGFKPEXHU-GFCCVEGCSA-N 1 0 246.358 2.401 20 30 BEEDRO C=CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000906726201 638239855 /nfs/dbraw/zinc/23/98/55/638239855.db2.gz YTJYQMXZRSPUMO-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000906724896 638240170 /nfs/dbraw/zinc/24/01/70/638240170.db2.gz NYJAYWQLPIARGT-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907640435 638429052 /nfs/dbraw/zinc/42/90/52/638429052.db2.gz RRTNBGHUPLDRPB-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907640436 638429471 /nfs/dbraw/zinc/42/94/71/638429471.db2.gz RRTNBGHUPLDRPB-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)[C@H](C)C(C)C ZINC000908273933 638629524 /nfs/dbraw/zinc/62/95/24/638629524.db2.gz GTXBMRXWNVJAFN-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO C[N@H+](CCCCO)CC1CCC(C#N)CC1 ZINC000930254065 639665488 /nfs/dbraw/zinc/66/54/88/639665488.db2.gz JIRFUKQXPONKJH-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO C=C(C[NH2+][C@H]1CN2C[C@@H]1CCC2)c1ccccc1 ZINC000924841362 639691589 /nfs/dbraw/zinc/69/15/89/639691589.db2.gz JHQBCEVXQNSCGE-HOTGVXAUSA-N 1 0 242.366 2.384 20 30 BEEDRO C#CC[N@H+](CCOC1CC1)Cc1ccccc1 ZINC000930475222 639771199 /nfs/dbraw/zinc/77/11/99/639771199.db2.gz CFXDJLRPIDSDDD-UHFFFAOYSA-N 1 0 229.323 2.301 20 30 BEEDRO C[C@@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)CC#N ZINC000930492572 639781157 /nfs/dbraw/zinc/78/11/57/639781157.db2.gz IUSMZLPVBQOPNG-FRRDWIJNSA-N 1 0 238.375 2.408 20 30 BEEDRO C=CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648586 639793562 /nfs/dbraw/zinc/79/35/62/639793562.db2.gz CQFNQHKBTQNBTA-UHFFFAOYSA-N 1 0 206.245 2.179 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCc2nc[nH]c2C1 ZINC000930515445 639795867 /nfs/dbraw/zinc/79/58/67/639795867.db2.gz MPODOVNGAVEYTO-UHFFFAOYSA-N 1 0 231.343 2.352 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC(C[NH2+]C)CC1 ZINC000911779084 639798936 /nfs/dbraw/zinc/79/89/36/639798936.db2.gz NASCEONCLKDDAE-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000930563001 639811349 /nfs/dbraw/zinc/81/13/49/639811349.db2.gz AHMQUQNOGQDFCD-HUUCEWRRSA-N 1 0 244.338 2.141 20 30 BEEDRO Cc1ccccc1C(C)(C)[NH2+]C[C@H](O)CC#N ZINC000930577499 639813090 /nfs/dbraw/zinc/81/30/90/639813090.db2.gz ARODGORMIRBIPT-GFCCVEGCSA-N 1 0 232.327 2.094 20 30 BEEDRO CC[N@H+](CC1CCC(C#N)CC1)[C@@H](C)CO ZINC000930580699 639813324 /nfs/dbraw/zinc/81/33/24/639813324.db2.gz ZFRXVLCLRJJJBF-HIFPTAJRSA-N 1 0 224.348 2.019 20 30 BEEDRO CC#CC[N@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000930587482 639814455 /nfs/dbraw/zinc/81/44/55/639814455.db2.gz CGVBSOUTNZOZQR-NXEZZACHSA-N 1 0 235.249 2.051 20 30 BEEDRO CC[C@@H](CO)[N@H+](C)CC1CCC(C#N)CC1 ZINC000930598300 639816313 /nfs/dbraw/zinc/81/63/13/639816313.db2.gz KRXZKJZEIVYPBF-BPCQOVAHSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000930601522 639817379 /nfs/dbraw/zinc/81/73/79/639817379.db2.gz UVLOPOHCHQAOFA-HUUCEWRRSA-N 1 0 231.339 2.420 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1c(C)noc1CC ZINC000930602206 639817518 /nfs/dbraw/zinc/81/75/18/639817518.db2.gz ZTHPTQURNCOCPB-ZDUSSCGKSA-N 1 0 220.316 2.437 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC(C)(C)C[NH3+] ZINC000911867234 639851196 /nfs/dbraw/zinc/85/11/96/639851196.db2.gz JSXUMAGDLWBPSK-NSHDSACASA-N 1 0 226.364 2.032 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)C1CCC([NH3+])CC1 ZINC000911864641 639851353 /nfs/dbraw/zinc/85/13/53/639851353.db2.gz LGUDNCWVQOJUME-PNESKVBLSA-N 1 0 238.375 2.317 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911870425 639853574 /nfs/dbraw/zinc/85/35/74/639853574.db2.gz LQDAIJJANORZKU-OLZOCXBDSA-N 1 0 240.391 2.421 20 30 BEEDRO COC[C@@H]1CCC[N@H+](C[C@H](C#N)CCC#N)CC1 ZINC000930676220 639859163 /nfs/dbraw/zinc/85/91/63/639859163.db2.gz MDRBJRAMMWJFFN-KGLIPLIRSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1CC ZINC000911899115 639861210 /nfs/dbraw/zinc/86/12/10/639861210.db2.gz GXJYNORKBRAYMX-OLZOCXBDSA-N 1 0 238.375 2.461 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCc1cccnc1 ZINC000930692618 639862136 /nfs/dbraw/zinc/86/21/36/639862136.db2.gz BKFLNAKCOZIRAS-CYBMUJFWSA-N 1 0 217.316 2.296 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000930703690 639869373 /nfs/dbraw/zinc/86/93/73/639869373.db2.gz DPTMVBLOBVGUSB-PQAZSJQKSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCc1ccccc1 ZINC000911895601 639872933 /nfs/dbraw/zinc/87/29/33/639872933.db2.gz VXZMZMNIQPXAQU-CQSZACIVSA-N 1 0 246.354 2.029 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1CCCCC1 ZINC000911896413 639873835 /nfs/dbraw/zinc/87/38/35/639873835.db2.gz MSLIDMSZBBRASU-GFCCVEGCSA-N 1 0 224.348 2.119 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000911896781 639874710 /nfs/dbraw/zinc/87/47/10/639874710.db2.gz SMAGZTSNSMVUPT-ZDUSSCGKSA-N 1 0 238.375 2.461 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000911959220 639905273 /nfs/dbraw/zinc/90/52/73/639905273.db2.gz DFFKBSWDJORWSI-ZDUSSCGKSA-N 1 0 238.375 2.463 20 30 BEEDRO C#CC1CC[NH+](C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000930822158 639922759 /nfs/dbraw/zinc/92/27/59/639922759.db2.gz MBBKFRJPMUGAPU-NSHDSACASA-N 1 0 249.276 2.035 20 30 BEEDRO N#CC[C@]1(O)CC[N@H+](C[C@H]2CC3CCC2CC3)C1 ZINC000930819209 639923445 /nfs/dbraw/zinc/92/34/45/639923445.db2.gz UPAQHAYLSJORBI-CVSAEHQPSA-N 1 0 248.370 2.163 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C ZINC000912066647 639931019 /nfs/dbraw/zinc/93/10/19/639931019.db2.gz SLCALUFWSFUCIG-AWEZNQCLSA-N 1 0 246.354 2.295 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2c(C)noc2CC)C1 ZINC000930886980 639973342 /nfs/dbraw/zinc/97/33/42/639973342.db2.gz VJSDQVPHLGXXAE-LBPRGKRZSA-N 1 0 232.327 2.391 20 30 BEEDRO N#CC1CCC(C[NH2+][C@@H](CO)C2CCC2)CC1 ZINC000930922185 639990849 /nfs/dbraw/zinc/99/08/49/639990849.db2.gz ADHCJPTUFISWPS-YIZWMMSDSA-N 1 0 236.359 2.067 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)[C@H](C)CC ZINC000912279784 640014700 /nfs/dbraw/zinc/01/47/00/640014700.db2.gz XNXALDWLZSSIND-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccccc2CC)CC1 ZINC000931151351 640080072 /nfs/dbraw/zinc/08/00/72/640080072.db2.gz RRGBARXBXHASLZ-UHFFFAOYSA-N 1 0 243.350 2.209 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C/C(C)=C\C(=O)OC)C1 ZINC000931162942 640083601 /nfs/dbraw/zinc/08/36/01/640083601.db2.gz HKHKXCABMQBJMK-NXIHDVOMSA-N 1 0 223.316 2.004 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCCCNC(C)=O)C1 ZINC000931163649 640084101 /nfs/dbraw/zinc/08/41/01/640084101.db2.gz NGYDCFCALWCOCH-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2[nH]c(C)nc2C)C1 ZINC000931162657 640084206 /nfs/dbraw/zinc/08/42/06/640084206.db2.gz FABKCLQABXDMRW-LBPRGKRZSA-N 1 0 219.332 2.425 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnn(CCF)c2)C1 ZINC000931163347 640085190 /nfs/dbraw/zinc/08/51/90/640085190.db2.gz KRRJJTXSPMVXNR-GFCCVEGCSA-N 1 0 237.322 2.251 20 30 BEEDRO C[C@H](Cc1cnccn1)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924846183 640086092 /nfs/dbraw/zinc/08/60/92/640086092.db2.gz LOWYITHIXIRXOK-NEPJUHHUSA-N 1 0 246.358 2.326 20 30 BEEDRO CC[NH+]=C(NC[C@H](OC)C(C)C)NC(C)(C)C ZINC000912498774 640094415 /nfs/dbraw/zinc/09/44/15/640094415.db2.gz GXOVRMSBZBPSCY-NSHDSACASA-N 1 0 243.395 2.011 20 30 BEEDRO C=C(C)CNC(NC(C)(C)C)=[NH+][C@@H]1C[C@H]1C ZINC000912498760 640094910 /nfs/dbraw/zinc/09/49/10/640094910.db2.gz GRJQPDDUKDHXIE-GHMZBOCLSA-N 1 0 223.364 2.305 20 30 BEEDRO C=C(C)CNC(NCC(=C)C)=[NH+]C(C)(C)C ZINC000912499725 640097129 /nfs/dbraw/zinc/09/71/29/640097129.db2.gz ZPLGDEPSHICPHD-UHFFFAOYSA-N 1 0 223.364 2.472 20 30 BEEDRO CS[C@H](C)CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506632 640102007 /nfs/dbraw/zinc/10/20/07/640102007.db2.gz RURILHZKOFPOJR-SECBINFHSA-N 1 0 243.420 2.234 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CC)C1CC1 ZINC000912513290 640104136 /nfs/dbraw/zinc/10/41/36/640104136.db2.gz GZPBNNQUYMRLCV-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311184 640139761 /nfs/dbraw/zinc/13/97/61/640139761.db2.gz OKXZZSLEAYYKMY-OKILXGFUSA-N 1 0 222.376 2.226 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931316009 640156316 /nfs/dbraw/zinc/15/63/16/640156316.db2.gz FTJLKABIEYLUOY-MELADBBJSA-N 1 0 222.376 2.225 20 30 BEEDRO C=CC(C)(C)CC(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000912730824 640191052 /nfs/dbraw/zinc/19/10/52/640191052.db2.gz BLIJDVNQRHGDRZ-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H](C)[N@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468547 640225517 /nfs/dbraw/zinc/22/55/17/640225517.db2.gz ZWFLHFVZWHVIKD-ZJUUUORDSA-N 1 0 205.305 2.293 20 30 BEEDRO C=C1CCC(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912903573 640249858 /nfs/dbraw/zinc/24/98/58/640249858.db2.gz NJSQSGSVQLDSGS-CQSZACIVSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCC[NH2+][C@](C)(CO)Cc1ccccc1OC ZINC000931605192 640284253 /nfs/dbraw/zinc/28/42/53/640284253.db2.gz JDORTEWQQCUZED-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000931662566 640306815 /nfs/dbraw/zinc/30/68/15/640306815.db2.gz LQPMERLOXBDMHH-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@@]1(c2ccccc2)CCC[N@@H+]1C[C@H](O)CC#N ZINC000931693722 640321017 /nfs/dbraw/zinc/32/10/17/640321017.db2.gz GPTWSUGLVJPOMH-CABCVRRESA-N 1 0 244.338 2.272 20 30 BEEDRO CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H](O)CC#N ZINC000931743301 640345454 /nfs/dbraw/zinc/34/54/54/640345454.db2.gz WXCFJFGBLSNYHI-CABCVRRESA-N 1 0 246.354 2.118 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NC[C@]2(C)CCCO2)c1 ZINC000151246562 640349757 /nfs/dbraw/zinc/34/97/57/640349757.db2.gz LRWVKXXZPNBTNH-AWEZNQCLSA-N 1 0 247.342 2.291 20 30 BEEDRO CC[C@@H](CO)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000931774272 640367260 /nfs/dbraw/zinc/36/72/60/640367260.db2.gz XMCNCCQNPAXOFP-ZDUSSCGKSA-N 1 0 237.730 2.052 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000931779920 640368279 /nfs/dbraw/zinc/36/82/79/640368279.db2.gz PMXGTSXLHFRFBR-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[C@@H](CO)[NH2+]CCCCC1(C#N)CCC1 ZINC000931777034 640368934 /nfs/dbraw/zinc/36/89/34/640368934.db2.gz PFZBOMOFTZHZTP-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH+](CCC)CC1 ZINC000931852843 640379779 /nfs/dbraw/zinc/37/97/79/640379779.db2.gz NVIXFXMEGRLSGM-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932098524 640424200 /nfs/dbraw/zinc/42/42/00/640424200.db2.gz CFLUEIUKZDFFMV-IJLUTSLNSA-N 1 0 225.332 2.082 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2ccn(C)n2)C1 ZINC000932137021 640438930 /nfs/dbraw/zinc/43/89/30/640438930.db2.gz SJBCIRVMUBBVTC-STQMWFEESA-N 1 0 246.358 2.292 20 30 BEEDRO C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](C#N)C2)CCO1 ZINC000932149026 640441165 /nfs/dbraw/zinc/44/11/65/640441165.db2.gz VCORUTXGZBKBNJ-JHJVBQTASA-N 1 0 222.332 2.037 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932203933 640453139 /nfs/dbraw/zinc/45/31/39/640453139.db2.gz NCQOKKSZDUAOLX-LBPRGKRZSA-N 1 0 234.368 2.421 20 30 BEEDRO CC#CCC[NH+]1CCC(Cc2noc(C)n2)CC1 ZINC000932244939 640454829 /nfs/dbraw/zinc/45/48/29/640454829.db2.gz KPYROTDFCUOAHP-UHFFFAOYSA-N 1 0 247.342 2.046 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]CCCSCC#N ZINC000932370446 640500981 /nfs/dbraw/zinc/50/09/81/640500981.db2.gz RVVHSQMSYJZYDG-SNVBAGLBSA-N 1 0 230.377 2.036 20 30 BEEDRO CC#CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932378051 640505198 /nfs/dbraw/zinc/50/51/98/640505198.db2.gz KQGYZQBHVXPJFQ-ZDUSSCGKSA-N 1 0 200.285 2.146 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932378264 640505645 /nfs/dbraw/zinc/50/56/45/640505645.db2.gz RPFPSHPYNNVHPD-HIFRSBDPSA-N 1 0 246.354 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932378266 640506551 /nfs/dbraw/zinc/50/65/51/640506551.db2.gz RPFPSHPYNNVHPD-ZFWWWQNUSA-N 1 0 246.354 2.449 20 30 BEEDRO CC#CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932378050 640506556 /nfs/dbraw/zinc/50/65/56/640506556.db2.gz KQGYZQBHVXPJFQ-CYBMUJFWSA-N 1 0 200.285 2.146 20 30 BEEDRO C#CC[N@@H+](CCCOC(F)(F)F)C(C)C ZINC000932382631 640507717 /nfs/dbraw/zinc/50/77/17/640507717.db2.gz ASVDTKXXAOAGHM-UHFFFAOYSA-N 1 0 223.238 2.257 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932384306 640510366 /nfs/dbraw/zinc/51/03/66/640510366.db2.gz RGKLCNSOAUIKIW-ZDUSSCGKSA-N 1 0 200.285 2.146 20 30 BEEDRO C#CC[N@@H+](C[C@](O)(CC)C(F)(F)F)C(C)C ZINC000932383601 640511854 /nfs/dbraw/zinc/51/18/54/640511854.db2.gz ITGVRGPXNATWRG-SNVBAGLBSA-N 1 0 237.265 2.033 20 30 BEEDRO C#CC[N@H+](C[C@H](O)c1ccc(F)cc1)C(C)C ZINC000932395182 640518646 /nfs/dbraw/zinc/51/86/46/640518646.db2.gz VAPYSBTWOYQCKD-AWEZNQCLSA-N 1 0 235.302 2.203 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+]CC#Cc1cccc(Cl)c1 ZINC000932490467 640554975 /nfs/dbraw/zinc/55/49/75/640554975.db2.gz XJNVBFIJUXBBRC-BXUZGUMPSA-N 1 0 249.741 2.316 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1ccc(F)cc1C ZINC000932560149 640576463 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640765024 /nfs/dbraw/zinc/76/50/24/640765024.db2.gz JHMFYDLFZDERNY-GFCCVEGCSA-N 1 0 238.356 2.068 20 30 BEEDRO C=CCCCCC[N@@H+](CC)CCC(=O)NC ZINC000933863236 640774555 /nfs/dbraw/zinc/77/45/55/640774555.db2.gz UADRTGYTCZIBGR-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000934010651 640805146 /nfs/dbraw/zinc/80/51/46/640805146.db2.gz DUKIFLWOUVIOBT-GXTWGEPZSA-N 1 0 223.360 2.319 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)c1nncn1C ZINC000059446009 640811640 /nfs/dbraw/zinc/81/16/40/640811640.db2.gz BGEKLVFVDFWCMW-NSHDSACASA-N 1 0 224.352 2.436 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000168736334 640822878 /nfs/dbraw/zinc/82/28/78/640822878.db2.gz SKNPXRUZPBPPNI-GFCCVEGCSA-N 1 0 227.254 2.164 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000168736428 640822975 /nfs/dbraw/zinc/82/29/75/640822975.db2.gz RQCIKBNZMNHROS-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO CC(C)C[N@H+](CCC#N)CC[C@@H]1CCCO1 ZINC000087248324 640865405 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C=CCC[N@H+]1CC[C@H](NC(=O)C(C)C)[C@H](C)C1 ZINC000941833031 643145550 /nfs/dbraw/zinc/14/55/50/643145550.db2.gz QUNGGFZGDAJZAW-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)[C@H](C)C1 ZINC000941936861 643149867 /nfs/dbraw/zinc/14/98/67/643149867.db2.gz SHXQOEYNNXBZHL-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932382507 643190266 /nfs/dbraw/zinc/19/02/66/643190266.db2.gz ABRYMMDLPRGJRW-BXUZGUMPSA-N 1 0 245.326 2.051 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC=CCC2)C1 ZINC000969595971 643195190 /nfs/dbraw/zinc/19/51/90/643195190.db2.gz FUDRYSUFKIZOHR-UONOGXRCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1COC(C)(C)C1 ZINC000306770005 643242563 /nfs/dbraw/zinc/24/25/63/643242563.db2.gz AKMDQUQHZOJPTR-MRVPVSSYSA-N 1 0 234.137 2.052 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CCCC1 ZINC001032245776 643397207 /nfs/dbraw/zinc/39/72/07/643397207.db2.gz UBGIGAKWWMGWHD-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CC1(Cl)Cl ZINC000307619472 643538774 /nfs/dbraw/zinc/53/87/74/643538774.db2.gz XXJBTYBRUSHTFV-JGVFFNPUSA-N 1 0 206.116 2.134 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000044691112 643547921 /nfs/dbraw/zinc/54/79/21/643547921.db2.gz BYDICKQGGPNWMS-LBPRGKRZSA-N 1 0 248.326 2.104 20 30 BEEDRO C=C(Br)C[NH2+]C1(C2CC2)CC1 ZINC000307670453 643566155 /nfs/dbraw/zinc/56/61/55/643566155.db2.gz QLCVTLXJLGTTGO-UHFFFAOYSA-N 1 0 216.122 2.427 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(N)nc1 ZINC000929216987 643581443 /nfs/dbraw/zinc/58/14/43/643581443.db2.gz HLLIJXQTYQTAFD-UHFFFAOYSA-N 1 0 205.305 2.062 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H]1CCOC1 ZINC000921527050 643588325 /nfs/dbraw/zinc/58/83/25/643588325.db2.gz KCICHPJNAUYQFZ-ZDUSSCGKSA-N 1 0 244.338 2.301 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1csc(C#N)c1 ZINC000921528200 643588645 /nfs/dbraw/zinc/58/86/45/643588645.db2.gz FDJDFFMAHSPIDR-SCZZXKLOSA-N 1 0 206.314 2.365 20 30 BEEDRO C[C@H](CC[NH+](C)C)NCc1csc(C#N)c1 ZINC000921618686 643624100 /nfs/dbraw/zinc/62/41/00/643624100.db2.gz KGBXVEPIZJBCID-SNVBAGLBSA-N 1 0 237.372 2.050 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000921624420 643632711 /nfs/dbraw/zinc/63/27/11/643632711.db2.gz RECNTXUBPNNOCN-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)C)C1 ZINC000970978825 643646144 /nfs/dbraw/zinc/64/61/44/643646144.db2.gz LLCOYMZQHWFQID-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCC12CCC2 ZINC000320334074 643666303 /nfs/dbraw/zinc/66/63/03/643666303.db2.gz ZVTGQLIPJMODHI-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000926115253 643689220 /nfs/dbraw/zinc/68/92/20/643689220.db2.gz JOGYLCYRWBPKES-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)C)C1 ZINC000971072180 643697268 /nfs/dbraw/zinc/69/72/68/643697268.db2.gz YKFCPFWPSQWHGF-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000971071761 643697364 /nfs/dbraw/zinc/69/73/64/643697364.db2.gz UWQFTTPDFYNFAB-CYBMUJFWSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)CCC)C1 ZINC000998389849 643703298 /nfs/dbraw/zinc/70/32/98/643703298.db2.gz PDDUZNGNROJYSV-LLVKDONJSA-N 1 0 244.766 2.120 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccco2)C1 ZINC000998374721 643704020 /nfs/dbraw/zinc/70/40/20/643704020.db2.gz NBPYHFMQEVNDFN-UHFFFAOYSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ccccc2)C1 ZINC000998378831 643704171 /nfs/dbraw/zinc/70/41/71/643704171.db2.gz AKWMZJJACOEFAB-UHFFFAOYSA-N 1 0 244.338 2.065 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)c2ccoc2)C1 ZINC000998445956 643707689 /nfs/dbraw/zinc/70/76/89/643707689.db2.gz CAYJXTATBFHADR-UHFFFAOYSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C(CC)CC)C1 ZINC000998577643 643712444 /nfs/dbraw/zinc/71/24/44/643712444.db2.gz HCHUQHLXSVXPQM-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)C=C2CCC2)C1 ZINC000998609066 643714237 /nfs/dbraw/zinc/71/42/37/643714237.db2.gz FOQLIBHUDBITHO-UHFFFAOYSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)/C=C(/C)C2CC2)C1 ZINC000998639412 643715613 /nfs/dbraw/zinc/71/56/13/643715613.db2.gz WOGDVAKVUZCPKZ-GAJOTYCWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000999118696 643729617 /nfs/dbraw/zinc/72/96/17/643729617.db2.gz VOWYEWWODVJOTQ-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001000091825 643749390 /nfs/dbraw/zinc/74/93/90/643749390.db2.gz JUEVDXUKZZQAJZ-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H]1CCCOC1 ZINC000921704971 643758358 /nfs/dbraw/zinc/75/83/58/643758358.db2.gz IBOBAFUKOXCJBU-AWEZNQCLSA-N 1 0 244.338 2.444 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CC2CCC1CC2 ZINC000320633047 643765335 /nfs/dbraw/zinc/76/53/35/643765335.db2.gz KYUAAHLYCWMSFB-CLRIEMFWSA-N 1 0 223.360 2.482 20 30 BEEDRO CSC[C@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000921756709 643773454 /nfs/dbraw/zinc/77/34/54/643773454.db2.gz JOWMOOONTRVSOG-QMMMGPOBSA-N 1 0 226.370 2.461 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C(C)C)C1 ZINC001000354806 643777162 /nfs/dbraw/zinc/77/71/62/643777162.db2.gz KHAPWRMUGUZUKZ-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@H]([NH2+]Cc1csc(C#N)c1)c1cnn(C)c1 ZINC000921776362 643781673 /nfs/dbraw/zinc/78/16/73/643781673.db2.gz SUBMNHYLQKNFTO-VIFPVBQESA-N 1 0 246.339 2.204 20 30 BEEDRO C#CCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921793853 643791600 /nfs/dbraw/zinc/79/16/00/643791600.db2.gz MWJXEYMPIBESBV-UHFFFAOYSA-N 1 0 217.316 2.111 20 30 BEEDRO C#CCCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921794018 643791866 /nfs/dbraw/zinc/79/18/66/643791866.db2.gz PJJIFXKTPCUBJY-UHFFFAOYSA-N 1 0 217.316 2.111 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1csc(C#N)c1)C(C)C ZINC000921807697 643798960 /nfs/dbraw/zinc/79/89/60/643798960.db2.gz SARANVYWEBIYCA-LBPRGKRZSA-N 1 0 238.356 2.380 20 30 BEEDRO CC[C@@H](O)CC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921850207 643808988 /nfs/dbraw/zinc/80/89/88/643808988.db2.gz FBDQQOBJAZWBEC-CQSZACIVSA-N 1 0 246.354 2.426 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CCCOCC2)cs1 ZINC000921969668 643834358 /nfs/dbraw/zinc/83/43/58/643834358.db2.gz OGIXQRVQDAOTDQ-LLVKDONJSA-N 1 0 236.340 2.278 20 30 BEEDRO N#CCCC[NH2+]Cc1c(Cl)n[nH]c1C1CC1 ZINC000921983822 643836462 /nfs/dbraw/zinc/83/64/62/643836462.db2.gz BTHCHNGMCHUTQC-UHFFFAOYSA-N 1 0 238.722 2.334 20 30 BEEDRO C=CCOCC[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000921980083 643836734 /nfs/dbraw/zinc/83/67/34/643836734.db2.gz KQSNNVTUSBJTSJ-UHFFFAOYSA-N 1 0 244.338 2.467 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@@H]2CCCC[C@H]12 ZINC000929259550 643842301 /nfs/dbraw/zinc/84/23/01/643842301.db2.gz GOXMNRVGFVYYHR-AAVRWANBSA-N 1 0 236.359 2.162 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1csc(C#N)c1 ZINC000922136869 643869985 /nfs/dbraw/zinc/86/99/85/643869985.db2.gz GUFRSHHPYUZECN-RKDXNWHRSA-N 1 0 224.329 2.133 20 30 BEEDRO C[C@@H](F)CC[NH2+]Cc1csc(C#N)c1 ZINC000922149287 643873981 /nfs/dbraw/zinc/87/39/81/643873981.db2.gz OFGALSJCYRLOLU-MRVPVSSYSA-N 1 0 212.293 2.457 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1C ZINC000922166290 643886748 /nfs/dbraw/zinc/88/67/48/643886748.db2.gz CODHBNLOHTWKMO-AWEZNQCLSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC1([NH2+]Cc2cc[nH]c(=O)c2)CCOCC1 ZINC000922245126 643917517 /nfs/dbraw/zinc/91/75/17/643917517.db2.gz SGGNMXITFAPKTK-UHFFFAOYSA-N 1 0 248.326 2.002 20 30 BEEDRO C[C@H](CCNCc1csc(C#N)c1)[NH+](C)C ZINC000922254815 643924559 /nfs/dbraw/zinc/92/45/59/643924559.db2.gz NPSSMOBKVJDUON-SNVBAGLBSA-N 1 0 237.372 2.050 20 30 BEEDRO C[C@@H](CCNCc1csc(C#N)c1)[NH+](C)C ZINC000922254814 643925509 /nfs/dbraw/zinc/92/55/09/643925509.db2.gz NPSSMOBKVJDUON-JTQLQIEISA-N 1 0 237.372 2.050 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](NCc2csc(C#N)c2)C1 ZINC000922259520 643930002 /nfs/dbraw/zinc/93/00/02/643930002.db2.gz GRHANQMRJPHFGF-GFCCVEGCSA-N 1 0 249.383 2.194 20 30 BEEDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1csc(C#N)c1 ZINC000922285987 643953288 /nfs/dbraw/zinc/95/32/88/643953288.db2.gz GVPAGZKMRAKVOF-MFKMUULPSA-N 1 0 248.351 2.277 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(OC)cc1C ZINC000922300511 643960828 /nfs/dbraw/zinc/96/08/28/643960828.db2.gz ZUDKPTGNNNHSRG-AWEZNQCLSA-N 1 0 247.338 2.132 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]Cc2csc(C#N)c2)[C@@H](C)O1 ZINC000922304885 643962018 /nfs/dbraw/zinc/96/20/18/643962018.db2.gz MULFSQKEDRHSOM-LNLATYFQSA-N 1 0 236.340 2.275 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(OC)OC)C1 ZINC000922314223 643967583 /nfs/dbraw/zinc/96/75/83/643967583.db2.gz WUNUSOKMHCSBDW-IJLUTSLNSA-N 1 0 227.348 2.328 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCN(C)[C@@H]2C)ccc1C#N ZINC000922556534 644024768 /nfs/dbraw/zinc/02/47/68/644024768.db2.gz DNDIFNQBHUZLIB-DOMZBBRYSA-N 1 0 243.354 2.049 20 30 BEEDRO C=CCCC[NH2+]Cc1cncc(OC)c1C ZINC000631123885 644144992 /nfs/dbraw/zinc/14/49/92/644144992.db2.gz NBSJWWYNSMQSMG-UHFFFAOYSA-N 1 0 220.316 2.454 20 30 BEEDRO CSCCCCCNC(=[NH2+])NCC1CCC1 ZINC000187051500 644204787 /nfs/dbraw/zinc/20/47/87/644204787.db2.gz SVZJLHHFMRRENX-UHFFFAOYSA-N 1 0 243.420 2.224 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2cncc(O)c2)CC1 ZINC000922975707 644206372 /nfs/dbraw/zinc/20/63/72/644206372.db2.gz IYJMEJOYVKSLDS-UHFFFAOYSA-N 1 0 245.326 2.349 20 30 BEEDRO C#CCC1([NH2+]Cc2ncc(C)s2)CCC1 ZINC000922997733 644221221 /nfs/dbraw/zinc/22/12/21/644221221.db2.gz BQJYROZHBVQVCA-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(C)cn2)CCC1 ZINC000922998477 644223561 /nfs/dbraw/zinc/22/35/61/644223561.db2.gz UOIIORLSCNHHGP-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(C)s2)CCC1 ZINC000923002245 644225892 /nfs/dbraw/zinc/22/58/92/644225892.db2.gz ZYBRIVLTHOIPIJ-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(OC)c2O)CCC1 ZINC000923001587 644226603 /nfs/dbraw/zinc/22/66/03/644226603.db2.gz UVLJNLIJBLDGMP-UHFFFAOYSA-N 1 0 245.322 2.436 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](CO)C2)C1 ZINC000923005596 644231970 /nfs/dbraw/zinc/23/19/70/644231970.db2.gz YRSDYEKZWHXMNL-FDYHWXHSSA-N 1 0 209.333 2.092 20 30 BEEDRO COCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC000081711762 644339123 /nfs/dbraw/zinc/33/91/23/644339123.db2.gz ZIEDYBFMGUMBLI-CYBMUJFWSA-N 1 0 217.312 2.053 20 30 BEEDRO C=CCN1C[C@H](CC[NH3+])Cc2ccccc21 ZINC000923545869 644492722 /nfs/dbraw/zinc/49/27/22/644492722.db2.gz YWQNWHUYLDROOY-GFCCVEGCSA-N 1 0 216.328 2.200 20 30 BEEDRO N#Cc1cc(F)ccc1N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000089092090 644534187 /nfs/dbraw/zinc/53/41/87/644534187.db2.gz GDCKXKBDLKQVPF-BXKDBHETSA-N 1 0 233.290 2.237 20 30 BEEDRO N#Cc1cc(F)ccc1N[C@H]1CCC[C@@H]1C[NH3+] ZINC000089092091 644534552 /nfs/dbraw/zinc/53/45/52/644534552.db2.gz GDCKXKBDLKQVPF-SKDRFNHKSA-N 1 0 233.290 2.237 20 30 BEEDRO C=C(Cl)C[NH2+][C@@](C)(CC)CC(=O)OC ZINC000839522983 644558813 /nfs/dbraw/zinc/55/88/13/644558813.db2.gz ZHUXAWSXLWVDHI-JTQLQIEISA-N 1 0 219.712 2.060 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC000094749470 644724596 /nfs/dbraw/zinc/72/45/96/644724596.db2.gz DEEQSYUVNNIODM-QWHCGFSZSA-N 1 0 236.359 2.095 20 30 BEEDRO C[C@]1(C[NH2+]CC#Cc2ccccc2)CCCO1 ZINC000094801819 644729072 /nfs/dbraw/zinc/72/90/72/644729072.db2.gz ICSIBADQMJWFLN-OAHLLOKOSA-N 1 0 229.323 2.197 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000783518048 644756816 /nfs/dbraw/zinc/75/68/16/644756816.db2.gz NTJRYWNVFZQJPG-CYBMUJFWSA-N 1 0 233.359 2.398 20 30 BEEDRO COCCCON=C(C)CCCC[NH+](C)C ZINC000795055255 644806853 /nfs/dbraw/zinc/80/68/53/644806853.db2.gz ITXMAQXTDOMXEK-UHFFFAOYSA-N 1 0 230.352 2.147 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccccc1C ZINC000303262473 644811593 /nfs/dbraw/zinc/81/15/93/644811593.db2.gz PXSZYMRHPWAPAI-NSHDSACASA-N 1 0 219.332 2.198 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303260448 644813982 /nfs/dbraw/zinc/81/39/82/644813982.db2.gz NCLUVWCJDHQLHW-CMPLNLGQSA-N 1 0 231.343 2.029 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)CC[C@H]1[NH3+] ZINC000251820296 644824684 /nfs/dbraw/zinc/82/46/84/644824684.db2.gz OXHOCDPHYKYVDL-NOZJJQNGSA-N 1 0 249.745 2.385 20 30 BEEDRO C=CCNC(NCCc1ccco1)=[NH+]C(C)(C)C ZINC000303463863 644827246 /nfs/dbraw/zinc/82/72/46/644827246.db2.gz CEWXBWIDNIKLQY-UHFFFAOYSA-N 1 0 249.358 2.342 20 30 BEEDRO CCOCCCNC(=[NH2+])Nc1ccc(CC)cc1 ZINC000303700067 644838483 /nfs/dbraw/zinc/83/84/83/644838483.db2.gz HHYPMZAXZDXWQF-UHFFFAOYSA-N 1 0 249.358 2.402 20 30 BEEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCOC ZINC000303708181 644838677 /nfs/dbraw/zinc/83/86/77/644838677.db2.gz MVLBTPKEFCEVDR-UHFFFAOYSA-N 1 0 249.358 2.184 20 30 BEEDRO CCCCCNC(=[NH2+])NCCc1cccs1 ZINC000303717014 644840645 /nfs/dbraw/zinc/84/06/45/644840645.db2.gz SZTAYXGQOBJAOZ-UHFFFAOYSA-N 1 0 239.388 2.385 20 30 BEEDRO CC(C)CCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303722379 644842789 /nfs/dbraw/zinc/84/27/89/644842789.db2.gz YCDAJMGBNKQNLO-NSHDSACASA-N 1 0 211.353 2.079 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1Cc2ccccc2C[C@H]1C ZINC000801924065 644844275 /nfs/dbraw/zinc/84/42/75/644844275.db2.gz QHLXFXJUKCEBLP-CHWSQXEVSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1Cc2ccccc2[C@@H]1C ZINC000801923738 644845016 /nfs/dbraw/zinc/84/50/16/644845016.db2.gz CJYHOINGSJUGTH-RYUDHWBXSA-N 1 0 230.311 2.492 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1Cc2ccccc2C[C@@H]1C ZINC000801924067 644846041 /nfs/dbraw/zinc/84/60/41/644846041.db2.gz QHLXFXJUKCEBLP-QWHCGFSZSA-N 1 0 244.338 2.362 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(F)c(C)c1 ZINC000303781447 644846410 /nfs/dbraw/zinc/84/64/10/644846410.db2.gz MGXIKWBSGCMYOK-UHFFFAOYSA-N 1 0 237.322 2.339 20 30 BEEDRO CC[C@@]1(C)CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801926311 644846874 /nfs/dbraw/zinc/84/68/74/644846874.db2.gz VSKHNRHWFSFERO-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CCOCCCCNC(=[NH2+])NC1CCCCC1 ZINC000303889535 644854806 /nfs/dbraw/zinc/85/48/06/644854806.db2.gz LZKZVLOQQIXCGV-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO Cc1ccc(CCNC(=[NH2+])NCC(C)C)c(C)c1 ZINC000303897865 644855455 /nfs/dbraw/zinc/85/54/55/644855455.db2.gz VFPZPLKMQXVFFY-UHFFFAOYSA-N 1 0 247.386 2.406 20 30 BEEDRO [NH2+]=C(NC[C@H]1Cc2ccccc21)N1CCCCC1 ZINC000303905506 644856625 /nfs/dbraw/zinc/85/66/25/644856625.db2.gz ZLSHOWYEZWKLKO-CYBMUJFWSA-N 1 0 243.354 2.127 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccccc1 ZINC000304201731 644875036 /nfs/dbraw/zinc/87/50/36/644875036.db2.gz CEKVDAQVIDTTTR-VXGBXAGGSA-N 1 0 218.300 2.266 20 30 BEEDRO CC(C)CC[N@H+](CCO[C@H](C)C#N)C1CC1 ZINC000304239372 644880149 /nfs/dbraw/zinc/88/01/49/644880149.db2.gz NJDQGJNLVMHFDC-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000304277840 644884079 /nfs/dbraw/zinc/88/40/79/644884079.db2.gz WSMYMQFRKRQWLR-NWDGAFQWSA-N 1 0 224.348 2.283 20 30 BEEDRO CCNC(NCCCC(C)(C)C)=[NH+]CC ZINC000304297910 644888344 /nfs/dbraw/zinc/88/83/44/644888344.db2.gz NSOFWQFNHPIUOB-UHFFFAOYSA-N 1 0 213.369 2.388 20 30 BEEDRO C[NH+]=C(NC[C@H](C)c1cccc(C)c1)NC1CC1 ZINC000304301293 644888960 /nfs/dbraw/zinc/88/89/60/644888960.db2.gz GAAITUSKKDJQAT-LBPRGKRZSA-N 1 0 245.370 2.426 20 30 BEEDRO C[C@H](c1cccs1)[N@H+](C)C[C@H](O)CC#N ZINC000809572472 644891706 /nfs/dbraw/zinc/89/17/06/644891706.db2.gz NWRRBUORLJQILR-NXEZZACHSA-N 1 0 224.329 2.015 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000809572444 644892448 /nfs/dbraw/zinc/89/24/48/644892448.db2.gz NETLKVJPOIOMQA-ZIAGYGMSSA-N 1 0 248.301 2.237 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000252867447 644918184 /nfs/dbraw/zinc/91/81/84/644918184.db2.gz RQGSRKJVWDHSGG-QJPTWQEYSA-N 1 0 236.359 2.329 20 30 BEEDRO Cc1ccc([C@@H](C)CNC(=[NH2+])NC(C)C)cc1 ZINC000304736956 644927249 /nfs/dbraw/zinc/92/72/49/644927249.db2.gz AIFMWBGQEMVJCW-LBPRGKRZSA-N 1 0 233.359 2.411 20 30 BEEDRO CCC(CC)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000304751446 644927397 /nfs/dbraw/zinc/92/73/97/644927397.db2.gz JGWOJIPMXPVINX-NSHDSACASA-N 1 0 225.380 2.469 20 30 BEEDRO Cc1ccc(O[C@@H](C)CNC(=[NH2+])NC(C)C)cc1 ZINC000304761036 644930680 /nfs/dbraw/zinc/93/06/80/644930680.db2.gz TYBHAALEOPQDSC-LBPRGKRZSA-N 1 0 249.358 2.075 20 30 BEEDRO CSCCCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000304757725 644930704 /nfs/dbraw/zinc/93/07/04/644930704.db2.gz PEJKHZFZPVEKFX-LLVKDONJSA-N 1 0 243.420 2.176 20 30 BEEDRO Cc1ccccc1[C@@H]1C[C@H]1[NH+]=C(N(C)C)N(C)C ZINC000304754829 644930756 /nfs/dbraw/zinc/93/07/56/644930756.db2.gz MDTKRCZCCABTRF-UONOGXRCSA-N 1 0 245.370 2.330 20 30 BEEDRO Cc1ccccc1OCCCNC(=[NH2+])NC(C)C ZINC000304754831 644931609 /nfs/dbraw/zinc/93/16/09/644931609.db2.gz MDULQXPQMISMDQ-UHFFFAOYSA-N 1 0 249.358 2.077 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304759330 644931651 /nfs/dbraw/zinc/93/16/51/644931651.db2.gz QZTPBWJSOHUHLU-KBPBESRZSA-N 1 0 245.370 2.350 20 30 BEEDRO CCCNC(=[NH2+])NCCCOc1ccccc1C ZINC000304763634 644932602 /nfs/dbraw/zinc/93/26/02/644932602.db2.gz XAMBQMCHFKZTLP-UHFFFAOYSA-N 1 0 249.358 2.078 20 30 BEEDRO CCO[C@H](CCNC(=[NH2+])N(CC)CC)C(C)C ZINC000304784693 644933110 /nfs/dbraw/zinc/93/31/10/644933110.db2.gz HPSPVKHLNTZTBB-GFCCVEGCSA-N 1 0 243.395 2.094 20 30 BEEDRO C=CCOCC[N@@H+](CC)CCc1ccccn1 ZINC000815065974 644951100 /nfs/dbraw/zinc/95/11/00/644951100.db2.gz UIZQMMRGHSOPRP-UHFFFAOYSA-N 1 0 234.343 2.149 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000817282671 644970184 /nfs/dbraw/zinc/97/01/84/644970184.db2.gz ISHSEVOKMFSVFC-LBPRGKRZSA-N 1 0 226.364 2.025 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@H]1CNCCO1 ZINC000817984183 644994934 /nfs/dbraw/zinc/99/49/34/644994934.db2.gz VTLHVIDRXXSGSW-ZIAGYGMSSA-N 1 0 240.391 2.089 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC(C)(C)C[NH+](C)C ZINC000822288062 645041842 /nfs/dbraw/zinc/04/18/42/645041842.db2.gz YFLMWPLJJDFZHL-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO Cc1cc(O)c(C[NH2+]CCC#N)cc1Cl ZINC000825722146 645063823 /nfs/dbraw/zinc/06/38/23/645063823.db2.gz XRAAYCXFNONXAN-UHFFFAOYSA-N 1 0 224.691 2.357 20 30 BEEDRO CCC(CC)CN(CCC#N)CC[S@](C)=O ZINC000827968755 645090175 /nfs/dbraw/zinc/09/01/75/645090175.db2.gz KEKQFESEEUWQBM-INIZCTEOSA-N 1 0 244.404 2.017 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000830345555 645120575 /nfs/dbraw/zinc/12/05/75/645120575.db2.gz IDLXODSQCYNOKL-QWHCGFSZSA-N 1 0 202.301 2.024 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)c2cnc(C)cn2)CC1 ZINC000830351660 645121591 /nfs/dbraw/zinc/12/15/91/645121591.db2.gz UDYCGXUOUZYEJV-LBPRGKRZSA-N 1 0 229.327 2.191 20 30 BEEDRO C#CC1CC[NH+](Cc2cccnc2C)CC1 ZINC000830351762 645122219 /nfs/dbraw/zinc/12/22/19/645122219.db2.gz WIIMVKXSUMYDEI-UHFFFAOYSA-N 1 0 214.312 2.235 20 30 BEEDRO CCCCCCCCNC(=O)NC[C@@H]([NH3+])CC ZINC000841864526 645235078 /nfs/dbraw/zinc/23/50/78/645235078.db2.gz NSKCQCKGCFGPKE-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO CCCCCCCCNC(=O)NCC[C@H](C)[NH3+] ZINC000841865997 645235379 /nfs/dbraw/zinc/23/53/79/645235379.db2.gz ZJVJPSRDZHLNNG-LBPRGKRZSA-N 1 0 243.395 2.383 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1cc[nH]c(=O)c1 ZINC000926567465 645286997 /nfs/dbraw/zinc/28/69/97/645286997.db2.gz GOOSSODEKTVQDG-JTQLQIEISA-N 1 0 233.315 2.378 20 30 BEEDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)CC#N)on1 ZINC000926567060 645287177 /nfs/dbraw/zinc/28/71/77/645287177.db2.gz CSVLSHDPLUHIGI-SECBINFHSA-N 1 0 237.303 2.274 20 30 BEEDRO COc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)on1 ZINC000926567061 645288151 /nfs/dbraw/zinc/28/81/51/645288151.db2.gz CSVLSHDPLUHIGI-VIFPVBQESA-N 1 0 237.303 2.274 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ccnnc1 ZINC000926570122 645289011 /nfs/dbraw/zinc/28/90/11/645289011.db2.gz VJUHRTVZSDZUEZ-JTQLQIEISA-N 1 0 218.304 2.067 20 30 BEEDRO CCn1ccc(C[NH2+][C@@H](C)CC(C)(C)C#N)n1 ZINC000926579093 645290085 /nfs/dbraw/zinc/29/00/85/645290085.db2.gz UQOHLEXNBQKYMS-NSHDSACASA-N 1 0 234.347 2.321 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000926574817 645291854 /nfs/dbraw/zinc/29/18/54/645291854.db2.gz COSCVMCOKSVDIQ-MNOVXSKESA-N 1 0 234.347 2.399 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC(C)(C)C#N ZINC000926572842 645291975 /nfs/dbraw/zinc/29/19/75/645291975.db2.gz QPDLQXOZKHJVAU-UTUOFQBUSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000926597274 645307413 /nfs/dbraw/zinc/30/74/13/645307413.db2.gz VVXPHUVUZINWLZ-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000926611077 645313372 /nfs/dbraw/zinc/31/33/72/645313372.db2.gz IMPIWZMJVXVJTE-YDHLFZDLSA-N 1 0 246.354 2.193 20 30 BEEDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)on1 ZINC000926613733 645313416 /nfs/dbraw/zinc/31/34/16/645313416.db2.gz FAZHUGWSEZJBCU-LPEHRKFASA-N 1 0 235.287 2.026 20 30 BEEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)on1 ZINC000926613732 645314539 /nfs/dbraw/zinc/31/45/39/645314539.db2.gz FAZHUGWSEZJBCU-KXUCPTDWSA-N 1 0 235.287 2.026 20 30 BEEDRO CSC1CC([NH2+]CC2(C#N)CCC2)C1 ZINC000926627487 645320147 /nfs/dbraw/zinc/32/01/47/645320147.db2.gz PAIRTSKZLHQPIQ-UHFFFAOYSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844442936 645333403 /nfs/dbraw/zinc/33/34/03/645333403.db2.gz HNNLNUJJVKWPKZ-GHMZBOCLSA-N 1 0 244.285 2.036 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCC1(CO)CCC1 ZINC000926660731 645343036 /nfs/dbraw/zinc/34/30/36/645343036.db2.gz YYAIGEQVVUKAPO-GFCCVEGCSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CCCc1noc([C@@H]2CC[C@H](C3CC3)[NH2+]2)n1 ZINC000844921097 645348333 /nfs/dbraw/zinc/34/83/33/645348333.db2.gz XYCNJEOXBFSJOV-MNOVXSKESA-N 1 0 233.315 2.391 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926682783 645355361 /nfs/dbraw/zinc/35/53/61/645355361.db2.gz FWMJTRYEYMBOMB-SNVBAGLBSA-N 1 0 208.309 2.086 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc(C(C)(C)O)cc1 ZINC000926727806 645390333 /nfs/dbraw/zinc/39/03/33/645390333.db2.gz OGUBPSPUUSWIEH-SMDDNHRTSA-N 1 0 249.354 2.112 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)N(C)OCC ZINC000846062683 645395062 /nfs/dbraw/zinc/39/50/62/645395062.db2.gz JLCSAQUPIDTPQB-GFCCVEGCSA-N 1 0 242.363 2.121 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC2CCC(=O)CC2)C1 ZINC000847018243 645415509 /nfs/dbraw/zinc/41/55/09/645415509.db2.gz IDVQPJAATAYEEJ-LBPRGKRZSA-N 1 0 219.328 2.091 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCC(C)(C)C#N)C1 ZINC000847017594 645416606 /nfs/dbraw/zinc/41/66/06/645416606.db2.gz CVRKBUNMRPBXCV-LBPRGKRZSA-N 1 0 204.317 2.271 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(C)nc2)C1 ZINC000847031189 645421581 /nfs/dbraw/zinc/42/15/81/645421581.db2.gz BJPBKGHGWIDHES-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccnn1C ZINC000926812466 645442333 /nfs/dbraw/zinc/44/23/33/645442333.db2.gz LTZMEKQCQZKSIY-MNOVXSKESA-N 1 0 234.347 2.399 20 30 BEEDRO C#C[C@H]1CCC[N@H+](C[C@@H]2CCC=CO2)C1 ZINC000848924501 645444839 /nfs/dbraw/zinc/44/48/39/645444839.db2.gz UBIGPGMZJJRJJA-STQMWFEESA-N 1 0 205.301 2.024 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2nonc2C)CC1 ZINC000926839982 645449967 /nfs/dbraw/zinc/44/99/67/645449967.db2.gz OVTZRKKRVMPTSR-YUSALJHKSA-N 1 0 233.315 2.221 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000926864697 645463393 /nfs/dbraw/zinc/46/33/93/645463393.db2.gz COQITLXBCMTSEV-ZIAGYGMSSA-N 1 0 247.386 2.002 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926873226 645468019 /nfs/dbraw/zinc/46/80/19/645468019.db2.gz DIJVICZOUIRVOU-QJPTWQEYSA-N 1 0 204.317 2.480 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926873230 645469715 /nfs/dbraw/zinc/46/97/15/645469715.db2.gz DIJVICZOUIRVOU-TUAOUCFPSA-N 1 0 204.317 2.480 20 30 BEEDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC(C)(C)C#N ZINC000926874641 645469460 /nfs/dbraw/zinc/46/94/60/645469460.db2.gz SCYURZKAJSCAFV-AAEUAGOBSA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@@H]1CC2(CC([NH2+]CC(C)(C)C#N)C2)CO1 ZINC000926875435 645469741 /nfs/dbraw/zinc/46/97/41/645469741.db2.gz ZMBVMMGEDXUXPX-XSRFYTQQSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@@H]1Cc2ccccc2[C@@H]1C ZINC000852467989 645485443 /nfs/dbraw/zinc/48/54/43/645485443.db2.gz 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646391318 /nfs/dbraw/zinc/39/13/18/646391318.db2.gz BGIURTOPCFKAEN-ABXWRUBCSA-N 1 0 235.375 2.046 20 30 BEEDRO CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000925704139 646428595 /nfs/dbraw/zinc/42/85/95/646428595.db2.gz IGNKFQDCYUSKIJ-WUHRBBMRSA-N 1 0 235.375 2.174 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC2CC(C)C2)CC1 ZINC000930116473 646441512 /nfs/dbraw/zinc/44/15/12/646441512.db2.gz XBOGGZBYEZZYEC-YMAMQOFZSA-N 1 0 249.402 2.198 20 30 BEEDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCCCC1(C#N)CCC1 ZINC000930126344 646449240 /nfs/dbraw/zinc/44/92/40/646449240.db2.gz RRNXDROKUOPQAQ-QWHCGFSZSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC2(C#N)CCC2)C[C@H]1O ZINC000930160259 646465140 /nfs/dbraw/zinc/46/51/40/646465140.db2.gz MYWFBZADSMZUOF-CHWSQXEVSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCCC[N@H+](C)C(C)C ZINC000930183120 646472088 /nfs/dbraw/zinc/47/20/88/646472088.db2.gz ZQVCRUPJSZVXEF-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+](CCc1ccns1)C1CC1 ZINC000930175558 646476704 /nfs/dbraw/zinc/47/67/04/646476704.db2.gz MQCKTXVQBIHPIV-UHFFFAOYSA-N 1 0 208.330 2.336 20 30 BEEDRO C[C@H]1[C@H](C)[N@H+](CC2CCC(C#N)CC2)CCN1C ZINC000930178193 646479218 /nfs/dbraw/zinc/47/92/18/646479218.db2.gz UYHXPCYZRPFZIM-HESLUPGFSA-N 1 0 249.402 2.341 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CNCC[C@@H]2C)CC1 ZINC000925835396 646503211 /nfs/dbraw/zinc/50/32/11/646503211.db2.gz OPQDUPGOPJEEIK-GXTWGEPZSA-N 1 0 222.376 2.320 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000925926525 646542579 /nfs/dbraw/zinc/54/25/79/646542579.db2.gz QCYLZUSAOQSNHA-RISCZKNCSA-N 1 0 242.322 2.172 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](C)C(C(C)C)C(C)C ZINC000925978603 646551937 /nfs/dbraw/zinc/55/19/37/646551937.db2.gz FMXQRUOKUOFSLF-LBPRGKRZSA-N 1 0 240.391 2.195 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1ccnn1C1CCC1 ZINC000926115720 646575498 /nfs/dbraw/zinc/57/54/98/646575498.db2.gz NHVCANTZHBTAAF-LBPRGKRZSA-N 1 0 249.358 2.461 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cc(O)cc(F)c1 ZINC000926155664 646585728 /nfs/dbraw/zinc/58/57/28/646585728.db2.gz YMURCMNFTISNJW-CABZTGNLSA-N 1 0 239.290 2.119 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@@H]1CCCO1 ZINC000926212792 646595722 /nfs/dbraw/zinc/59/57/22/646595722.db2.gz ZTBBRMYBCWGAJI-AVGNSLFASA-N 1 0 234.343 2.085 20 30 BEEDRO C#C[C@H]([NH2+]C1CC2(C1)CCCC2)[C@H]1CCCO1 ZINC000926212602 646596141 /nfs/dbraw/zinc/59/61/41/646596141.db2.gz YDSSMCCZXRQCEK-UONOGXRCSA-N 1 0 233.355 2.480 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000926323721 646616073 /nfs/dbraw/zinc/61/60/73/646616073.db2.gz KVWJTWVUPIZVLH-LLVKDONJSA-N 1 0 222.336 2.476 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000926341659 646620639 /nfs/dbraw/zinc/62/06/39/646620639.db2.gz GCFJQKKZNWSFBY-SCRDCRAPSA-N 1 0 249.358 2.052 20 30 BEEDRO N#CCC1(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC1 ZINC000926344239 646621588 /nfs/dbraw/zinc/62/15/88/646621588.db2.gz JPBAUFFDTUNFBY-KBPBESRZSA-N 1 0 247.386 2.287 20 30 BEEDRO COc1ccnc([C@@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000926345776 646622595 /nfs/dbraw/zinc/62/25/95/646622595.db2.gz RAZGUKSCGYAGOP-LLVKDONJSA-N 1 0 245.326 2.435 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000926355238 646625053 /nfs/dbraw/zinc/62/50/53/646625053.db2.gz DSCABHJOLFWIPS-PQAZSJQKSA-N 1 0 236.359 2.331 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000926355235 646625280 /nfs/dbraw/zinc/62/52/80/646625280.db2.gz DSCABHJOLFWIPS-HOAMVYINSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000926449363 646641684 /nfs/dbraw/zinc/64/16/84/646641684.db2.gz FSEPTMPCYJNZOV-WDEREUQCSA-N 1 0 246.358 2.185 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000926449362 646642558 /nfs/dbraw/zinc/64/25/58/646642558.db2.gz FSEPTMPCYJNZOV-QWRGUYRKSA-N 1 0 246.358 2.185 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1CC2(C1)CCCC2 ZINC000926491353 646660205 /nfs/dbraw/zinc/66/02/05/646660205.db2.gz VESCCDSLLKUKSS-UHFFFAOYSA-N 1 0 234.387 2.254 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@@H](O)C(F)F ZINC000926512568 646668543 /nfs/dbraw/zinc/66/85/43/646668543.db2.gz MKQOCODQPQDQGS-LPEHRKFASA-N 1 0 248.317 2.309 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1ncc[nH]1 ZINC000926512400 646669628 /nfs/dbraw/zinc/66/96/28/646669628.db2.gz MHTMOHOWYWTYGV-VWYCJHECSA-N 1 0 218.304 2.143 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@@H](O)C(F)F ZINC000926512567 646669830 /nfs/dbraw/zinc/66/98/30/646669830.db2.gz MKQOCODQPQDQGS-KXUCPTDWSA-N 1 0 248.317 2.309 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)[C@@H]1CCCOC1 ZINC000724005742 711554255 /nfs/dbraw/zinc/55/42/55/711554255.db2.gz GGUAUDXGOQIDLM-VXGBXAGGSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCC(C)(C)C1 ZINC000308836179 711591523 /nfs/dbraw/zinc/59/15/23/711591523.db2.gz WMSIHOPWEPMQTA-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000722330133 711738181 /nfs/dbraw/zinc/73/81/81/711738181.db2.gz JEOFZRFRARXLKJ-AGIUHOORSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC[N@@H+](Cc1cncc(OC)c1C)C(C)C ZINC000897170536 711784699 /nfs/dbraw/zinc/78/46/99/711784699.db2.gz APJPRCMFEPJIIN-UHFFFAOYSA-N 1 0 232.327 2.242 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@]1(C)CCCOC1 ZINC000925299263 711797746 /nfs/dbraw/zinc/79/77/46/711797746.db2.gz ATDJOCJRZGTIFG-YPMHNXCESA-N 1 0 224.348 2.473 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)n1)C[C@@H]1CC1(C)C ZINC000602713805 711836440 /nfs/dbraw/zinc/83/64/40/711836440.db2.gz CYMNOYWCMJFRGX-NSHDSACASA-N 1 0 229.327 2.431 20 30 BEEDRO N#CCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921984787 711951722 /nfs/dbraw/zinc/95/17/22/711951722.db2.gz LLPVOEFYWUUJEX-UHFFFAOYSA-N 1 0 218.304 2.001 20 30 BEEDRO CCCCCCCNC(=O)CC[NH2+]C(C)C ZINC000703756406 712084738 /nfs/dbraw/zinc/08/47/38/712084738.db2.gz MBSPPCMSMNDGSE-UHFFFAOYSA-N 1 0 228.380 2.461 20 30 BEEDRO CCCCCCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000703755350 712085200 /nfs/dbraw/zinc/08/52/00/712085200.db2.gz BUJXDBHTTNYLRZ-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000703757925 712085514 /nfs/dbraw/zinc/08/55/14/712085514.db2.gz XCNXRWLHSVRMMF-LLVKDONJSA-N 1 0 228.380 2.446 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000705942464 712138494 /nfs/dbraw/zinc/13/84/94/712138494.db2.gz UDYXRWLLCCLPGY-OLZOCXBDSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(Cl)C[N@@H+](C)CC(O)(CC)CC ZINC000706418060 712146072 /nfs/dbraw/zinc/14/60/72/712146072.db2.gz ATVVDKWCYVIUHF-UHFFFAOYSA-N 1 0 205.729 2.222 20 30 BEEDRO C[C@@H](O)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709976026 712236699 /nfs/dbraw/zinc/23/66/99/712236699.db2.gz MTBDJKNIXRPKQK-WDEREUQCSA-N 1 0 212.337 2.065 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710954568 712267601 /nfs/dbraw/zinc/26/76/01/712267601.db2.gz APYVREZGQBXQTL-LLVKDONJSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CCOCC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711123599 712285485 /nfs/dbraw/zinc/28/54/85/712285485.db2.gz ZXAOQZQXOCEVMK-ITGUQSILSA-N 1 0 209.333 2.357 20 30 BEEDRO CO[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000378769312 712360231 /nfs/dbraw/zinc/36/02/31/712360231.db2.gz DZPVPMMKLNDNGE-MRVPVSSYSA-N 1 0 202.257 2.340 20 30 BEEDRO CCC(=[NH+]NC1CC1)c1cccc(N)c1 ZINC000378861891 712364279 /nfs/dbraw/zinc/36/42/79/712364279.db2.gz RWDWKDXVXNDCBI-UHFFFAOYSA-N 1 0 203.289 2.135 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000379482665 712385696 /nfs/dbraw/zinc/38/56/96/712385696.db2.gz CNSBBKSJDRNTKP-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1cn(CC)nn1 ZINC000714936737 712500481 /nfs/dbraw/zinc/50/04/81/712500481.db2.gz VPERJBWNOWBNGR-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000715058089 712505044 /nfs/dbraw/zinc/50/50/44/712505044.db2.gz MMBRXVIQCFUPEN-DGCLKSJQSA-N 1 0 216.328 2.341 20 30 BEEDRO C=CC[C@H](C)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000715058091 712505380 /nfs/dbraw/zinc/50/53/80/712505380.db2.gz MMBRXVIQCFUPEN-WCQYABFASA-N 1 0 216.328 2.341 20 30 BEEDRO C=C(CC)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716392826 712558180 /nfs/dbraw/zinc/55/81/80/712558180.db2.gz GGUVHNANRVOPKD-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000716928828 712596513 /nfs/dbraw/zinc/59/65/13/712596513.db2.gz OOJLIXSIUQQZIA-FRRDWIJNSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CC1CCC1 ZINC000716928737 712596525 /nfs/dbraw/zinc/59/65/25/712596525.db2.gz NFKWRZWMSMGPLP-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C[C@H](C)C(C)(C)C ZINC000716929417 712596541 /nfs/dbraw/zinc/59/65/41/712596541.db2.gz SFDARJFNCQDZHM-RYUDHWBXSA-N 1 0 211.349 2.297 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)cc(C)c1 ZINC000716931866 712597025 /nfs/dbraw/zinc/59/70/25/712597025.db2.gz BHJLTFXQWFRJKA-OAHLLOKOSA-N 1 0 231.339 2.431 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000716930285 712597026 /nfs/dbraw/zinc/59/70/26/712597026.db2.gz ZQJQCEKRCMWITI-RFQIPJPRSA-N 1 0 223.360 2.439 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000716936235 712597736 /nfs/dbraw/zinc/59/77/36/712597736.db2.gz SAFIGWNPZXVNBE-ZDUSSCGKSA-N 1 0 235.302 2.262 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](C)CC1 ZINC000379814477 712607694 /nfs/dbraw/zinc/60/76/94/712607694.db2.gz BMHBXXSBZCTASI-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)C(C)(C)C ZINC000379818422 712611826 /nfs/dbraw/zinc/61/18/26/712611826.db2.gz ROEQBUNAQLXPPQ-QWRGUYRKSA-N 1 0 212.337 2.281 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)c1ccc(C)s1 ZINC000379920816 712627149 /nfs/dbraw/zinc/62/71/49/712627149.db2.gz HNEAGJNOPOXLEK-NSHDSACASA-N 1 0 223.341 2.357 20 30 BEEDRO C#CCCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000379932055 712632372 /nfs/dbraw/zinc/63/23/72/712632372.db2.gz PGHHZLGAFSLZFX-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCC12CCC2 ZINC000717710572 712666360 /nfs/dbraw/zinc/66/63/60/712666360.db2.gz RFMHPXGALJJFGU-CHWSQXEVSA-N 1 0 221.344 2.073 20 30 BEEDRO CC(C)[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000380015223 712669943 /nfs/dbraw/zinc/66/99/43/712669943.db2.gz MYLLJBYENOJSFU-NEPJUHHUSA-N 1 0 210.321 2.035 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CCC[C@@H](C)C1 ZINC000717813019 712680328 /nfs/dbraw/zinc/68/03/28/712680328.db2.gz GBSMDDNXRNDKPC-HZSPNIEDSA-N 1 0 223.360 2.177 20 30 BEEDRO CCOC1CC(C[N@@H+]2CCC[C@H](C#N)C2)C1 ZINC000932154045 712715563 /nfs/dbraw/zinc/71/55/63/712715563.db2.gz DJMUCHINBQNZDG-PNESKVBLSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718812716 712783367 /nfs/dbraw/zinc/78/33/67/712783367.db2.gz MHFXWOPOARDKIJ-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718810635 712783421 /nfs/dbraw/zinc/78/34/21/712783421.db2.gz FHRDLIZQTJBNNC-FRRDWIJNSA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718856404 712785881 /nfs/dbraw/zinc/78/58/81/712785881.db2.gz CXVZAFOTHGEVIZ-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO CN1CC[C@@H]2CC[C@H](C1)[N@@H+]2CCC(C)(C)C#N ZINC000718920384 712787861 /nfs/dbraw/zinc/78/78/61/712787861.db2.gz XKWQCTCRPIAKAY-QWHCGFSZSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CC[C@@H]2C)CC1 ZINC000380253021 712846282 /nfs/dbraw/zinc/84/62/82/712846282.db2.gz PQTJWYRBRDFSMH-WCQYABFASA-N 1 0 208.349 2.025 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC)C[C@@H]1CC ZINC001037753250 712886647 /nfs/dbraw/zinc/88/66/47/712886647.db2.gz WYZOJCJBHNANHY-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCc1cc(C#N)ccc1CN1CC[C@](C)([NH3+])C1 ZINC001204810097 1169475887 /nfs/dbraw/zinc/47/58/87/1169475887.db2.gz NACSRUQDLWTDLN-HNNXBMFYSA-N 1 0 243.354 2.044 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1 ZINC001038014041 712898349 /nfs/dbraw/zinc/89/83/49/712898349.db2.gz OFSXNKBKMWZZEC-AWEZNQCLSA-N 1 0 244.338 2.067 20 30 BEEDRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381327300 710622966 /nfs/dbraw/zinc/62/29/66/710622966.db2.gz RNPAUFLRMZKVHM-IJLUTSLNSA-N 1 0 218.300 2.492 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ncccc1C ZINC000384130116 710642100 /nfs/dbraw/zinc/64/21/00/710642100.db2.gz AIGVURPQGZRGNT-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CC23CCC3)cc1 ZINC000721210706 712898879 /nfs/dbraw/zinc/89/88/79/712898879.db2.gz WDMJPCORPXUPHP-KBPBESRZSA-N 1 0 242.322 2.124 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccsc2)C1 ZINC000381569030 710655506 /nfs/dbraw/zinc/65/55/06/710655506.db2.gz WCURCQVMHNPTLD-USWWRNFRSA-N 1 0 236.340 2.063 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2ccsc2)C1 ZINC000381569029 710655891 /nfs/dbraw/zinc/65/58/91/710655891.db2.gz WCURCQVMHNPTLD-JLLWLGSASA-N 1 0 236.340 2.063 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CCO)c1cccs1 ZINC000381630499 710664604 /nfs/dbraw/zinc/66/46/04/710664604.db2.gz SUDQTLUXKAJMED-JTQLQIEISA-N 1 0 211.330 2.337 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC001018707599 710668227 /nfs/dbraw/zinc/66/82/27/710668227.db2.gz OCISKDQDYFEKQM-NSHDSACASA-N 1 0 240.322 2.016 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cncc(C#N)c1 ZINC000721616733 710683815 /nfs/dbraw/zinc/68/38/15/710683815.db2.gz ZNSAWNLJKTXUGE-WDEREUQCSA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721616731 710683983 /nfs/dbraw/zinc/68/39/83/710683983.db2.gz ZNSAWNLJKTXUGE-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO CC(C)(O)[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000721845415 710687320 /nfs/dbraw/zinc/68/73/20/710687320.db2.gz HFKUJFAIMPBGPS-CQSZACIVSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1cnc2n1CCOC2 ZINC000722844015 710722155 /nfs/dbraw/zinc/72/21/55/710722155.db2.gz HQDVWJCKMLKSDE-UHFFFAOYSA-N 1 0 249.358 2.248 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(CSC)cc1 ZINC000725078064 710754013 /nfs/dbraw/zinc/75/40/13/710754013.db2.gz TXCBRZUVXZCXPY-CYBMUJFWSA-N 1 0 237.368 2.186 20 30 BEEDRO C=CC[N@H+]1CC[C@]2(CCN(C(=O)/C(C)=C\C)C2)C1 ZINC001041182211 710764155 /nfs/dbraw/zinc/76/41/55/710764155.db2.gz AGZGVJHPTMSNNT-XNISGLLXSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CCN(C(=O)/C(C)=C\C)C[C@H]21 ZINC001042002697 710774124 /nfs/dbraw/zinc/77/41/24/710774124.db2.gz KSLWDPZOAIJGLC-SNBRUFEUSA-N 1 0 248.370 2.061 20 30 BEEDRO Nc1ccc2c(c1)C(=[NH+]NC1CC1)CCC2 ZINC000382152795 710800902 /nfs/dbraw/zinc/80/09/02/710800902.db2.gz QAASRWHXPFKUJW-UHFFFAOYSA-N 1 0 215.300 2.061 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cn2ccccc2n1 ZINC000384203666 710822353 /nfs/dbraw/zinc/82/23/53/710822353.db2.gz MNAXTRIEXNRRAT-CQSZACIVSA-N 1 0 227.311 2.226 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccco2)[C@@H](C)C1 ZINC001044428989 710826745 /nfs/dbraw/zinc/82/67/45/710826745.db2.gz ZQSQTAUFQPCJDK-RYUDHWBXSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2CC=CC2)[C@H](C)C1 ZINC001044513670 710828558 /nfs/dbraw/zinc/82/85/58/710828558.db2.gz LTSKUXJCXSTEOV-OCCSQVGLSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccccc2)C1 ZINC001046112899 710849774 /nfs/dbraw/zinc/84/97/74/710849774.db2.gz XUNDDSSZZAHHTQ-HNNXBMFYSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)C2CC=CC2)C1 ZINC001046207498 710855100 /nfs/dbraw/zinc/85/51/00/710855100.db2.gz NHLNFPOWLVPRGT-OAHLLOKOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](NC(=O)C(C)C)CC[C@@H]1C ZINC001071349749 710868616 /nfs/dbraw/zinc/86/86/16/710868616.db2.gz LJNNNTLGYGIWCM-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([C@H](C)[NH2+]CC)C1 ZINC001047930370 710876774 /nfs/dbraw/zinc/87/67/74/710876774.db2.gz CTGFXOXYRPOUET-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903085078 710890082 /nfs/dbraw/zinc/89/00/82/710890082.db2.gz PPKDNSKXCIFENL-DMDPSCGWSA-N 1 0 247.342 2.153 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001049270782 710898827 /nfs/dbraw/zinc/89/88/27/710898827.db2.gz FBQAANADRKOGMC-KBPBESRZSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[N@@H+](CC)C/C=C\C(=O)OCC ZINC000382523309 710945727 /nfs/dbraw/zinc/94/57/27/710945727.db2.gz CIFDQRALRIFWDJ-FPLPWBNLSA-N 1 0 211.305 2.004 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)C=C(C)C)[C@@H]2C1 ZINC001049963130 710905540 /nfs/dbraw/zinc/90/55/40/710905540.db2.gz XGNYWGVHYMRZTN-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)C=C2CCC2)CC1 ZINC001052296755 710964214 /nfs/dbraw/zinc/96/42/14/710964214.db2.gz JNZZZRZFNKQGLP-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC#Cc2ccccc2)[C@H](C)O1 ZINC000384845817 710998696 /nfs/dbraw/zinc/99/86/96/710998696.db2.gz DZABYSKKMXAZHD-IPYPFGDCSA-N 1 0 229.323 2.194 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000384172305 710991871 /nfs/dbraw/zinc/99/18/71/710991871.db2.gz NFDFSJVNIDICST-CYBMUJFWSA-N 1 0 232.283 2.486 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)Nc1ccccc1 ZINC000384236085 710992830 /nfs/dbraw/zinc/99/28/30/710992830.db2.gz ZBLJFGCDIMDLMI-DOMZBBRYSA-N 1 0 244.338 2.405 20 30 BEEDRO C#CCN(C)CCC[NH2+]C/C=C\c1ccccc1 ZINC000385676922 711016208 /nfs/dbraw/zinc/01/62/08/711016208.db2.gz ZZFLRWXUYNQJCB-XFFZJAGNSA-N 1 0 242.366 2.245 20 30 BEEDRO C=CCOCC[NH2+]CCC(C)(C)SC ZINC000385878155 711019002 /nfs/dbraw/zinc/01/90/02/711019002.db2.gz WNBZKRZDYOAWQR-UHFFFAOYSA-N 1 0 217.378 2.310 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000387353392 711042296 /nfs/dbraw/zinc/04/22/96/711042296.db2.gz GNYRZGJUBWWNHF-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000387333481 711042403 /nfs/dbraw/zinc/04/24/03/711042403.db2.gz DKCZQVHSSWQPDY-AWEZNQCLSA-N 1 0 230.311 2.147 20 30 BEEDRO C[C@H]1C[C@@H](C[NH2+]CC#Cc2ccccc2)CCO1 ZINC000388667541 711064577 /nfs/dbraw/zinc/06/45/77/711064577.db2.gz GVUDXDRDRJWWTF-HOCLYGCPSA-N 1 0 243.350 2.443 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)C1CCCC1 ZINC000389402387 711078516 /nfs/dbraw/zinc/07/85/16/711078516.db2.gz IOJYLGJFBHWYRH-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)C[N@H+](CCO[C@H](C)C#N)C(C)C ZINC000389400863 711078532 /nfs/dbraw/zinc/07/85/32/711078532.db2.gz HHBNKRAWARAPHX-GFCCVEGCSA-N 1 0 212.337 2.281 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)C1CCCCC1 ZINC000389415082 711078867 /nfs/dbraw/zinc/07/88/67/711078867.db2.gz TZZRAUCZOMZAPN-NSHDSACASA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)Cc1ccsc1 ZINC000389415725 711078875 /nfs/dbraw/zinc/07/88/75/711078875.db2.gz UPTMMCFCMLMHJX-JTQLQIEISA-N 1 0 224.329 2.109 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000389587598 711081838 /nfs/dbraw/zinc/08/18/38/711081838.db2.gz AAWZQRUXRMUUBZ-CHWSQXEVSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000389752512 711089789 /nfs/dbraw/zinc/08/97/89/711089789.db2.gz ZKDCXCRILQXZQW-JHJVBQTASA-N 1 0 209.333 2.051 20 30 BEEDRO C#CCSCC[NH2+][C@H](COC)CC(C)C ZINC000389853206 711092575 /nfs/dbraw/zinc/09/25/75/711092575.db2.gz YMVNBHQBJOEQSV-LBPRGKRZSA-N 1 0 229.389 2.004 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)nn1C ZINC000389855795 711092609 /nfs/dbraw/zinc/09/26/09/711092609.db2.gz AWBQMYAHRWFSME-MWLCHTKSSA-N 1 0 207.321 2.344 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CSCCS2)C1 ZINC000389889246 711095355 /nfs/dbraw/zinc/09/53/55/711095355.db2.gz UPZUARRAQLIVGX-VWYCJHECSA-N 1 0 242.413 2.117 20 30 BEEDRO C#CCCC[NH2+][C@H](COC)C1CCCC1 ZINC000389943288 711099346 /nfs/dbraw/zinc/09/93/46/711099346.db2.gz PKBNUWOZUJFMDC-CYBMUJFWSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000390171855 711107025 /nfs/dbraw/zinc/10/70/25/711107025.db2.gz HDPOZCZRNCPZKF-LLVKDONJSA-N 1 0 215.300 2.398 20 30 BEEDRO C#CCCC[NH2+]Cc1ccccc1N(C)C ZINC000390453042 711117234 /nfs/dbraw/zinc/11/72/34/711117234.db2.gz BGZWNRKESHTEJT-UHFFFAOYSA-N 1 0 216.328 2.256 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CCS(=O)(=O)C(C)C ZINC000390603679 711128490 /nfs/dbraw/zinc/12/84/90/711128490.db2.gz BXJRLZAREVUWOV-GFCCVEGCSA-N 1 0 247.404 2.144 20 30 BEEDRO C#CCC[NH2+][C@H](CC)c1c(C)nn(C)c1C ZINC000390820349 711136295 /nfs/dbraw/zinc/13/62/95/711136295.db2.gz VYARLLHBPRIXBJ-GFCCVEGCSA-N 1 0 219.332 2.101 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000392769425 711152129 /nfs/dbraw/zinc/15/21/29/711152129.db2.gz BFWALJYUGOPHOY-HZPDHXFCSA-N 1 0 248.414 2.500 20 30 BEEDRO C#CC[N@H+](C)CCCNc1ccc(C#N)cc1C ZINC000393380230 711157719 /nfs/dbraw/zinc/15/77/19/711157719.db2.gz BFIJIEZYLVGKOS-UHFFFAOYSA-N 1 0 241.338 2.234 20 30 BEEDRO N#CCCCC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000393556216 711163098 /nfs/dbraw/zinc/16/30/98/711163098.db2.gz SWSTTXRXLHNSAA-QMMMGPOBSA-N 1 0 221.131 2.464 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccsc1C)[C@@H]1CCCO1 ZINC000393938441 711179727 /nfs/dbraw/zinc/17/97/27/711179727.db2.gz SZQVSUNKUPECQJ-STQMWFEESA-N 1 0 235.352 2.327 20 30 BEEDRO C=C(Cl)CN1C[C@H](NC(=O)CC)CC[C@H]1C ZINC001071278744 711183178 /nfs/dbraw/zinc/18/31/78/711183178.db2.gz IPNJQGBVRZGONC-GHMZBOCLSA-N 1 0 244.766 2.118 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C2=CCCC2)CC[C@@H]1C ZINC001071415604 711191038 /nfs/dbraw/zinc/19/10/38/711191038.db2.gz BYVGPLIILJVPQP-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)C2CC=CC2)CC[C@@H]1C ZINC001071401678 711191498 /nfs/dbraw/zinc/19/14/98/711191498.db2.gz OQMTWVMYUQIEAQ-JSGCOSHPSA-N 1 0 248.370 2.108 20 30 BEEDRO C#CCN(C)CCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000394782647 711197799 /nfs/dbraw/zinc/19/77/99/711197799.db2.gz HNBOJBVLNMQUHF-HUUCEWRRSA-N 1 0 236.403 2.357 20 30 BEEDRO CCNC(NCC1C(C)(C)C1(C)C)=[NH+]CC ZINC000395634877 711213986 /nfs/dbraw/zinc/21/39/86/711213986.db2.gz RDRSGMMJBNEHTL-UHFFFAOYSA-N 1 0 225.380 2.244 20 30 BEEDRO CCNC(NCCC(C)(C)C1CC1)=[NH+]CC ZINC000395702515 711214273 /nfs/dbraw/zinc/21/42/73/711214273.db2.gz GHKUYPCZVPLVHB-UHFFFAOYSA-N 1 0 225.380 2.388 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1CCCN[C@@H]1C ZINC000396651099 711359663 /nfs/dbraw/zinc/35/96/63/711359663.db2.gz DNUQLPBVPJHFFT-VXGBXAGGSA-N 1 0 210.365 2.319 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1ccncc1C ZINC000397535288 711385518 /nfs/dbraw/zinc/38/55/18/711385518.db2.gz OWQLQKNYBKOZQA-AWEZNQCLSA-N 1 0 216.328 2.324 20 30 BEEDRO C[C@@H](C[NH2+]CC#Cc1ccccc1)C[C@H](C)O ZINC000398693294 711414714 /nfs/dbraw/zinc/41/47/14/711414714.db2.gz SRCIQWHNDPBYED-KGLIPLIRSA-N 1 0 231.339 2.035 20 30 BEEDRO CO[C@H]1CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399136002 711421086 /nfs/dbraw/zinc/42/10/86/711421086.db2.gz QQXDYJBQLRAYQR-CABCVRRESA-N 1 0 244.338 2.410 20 30 BEEDRO CO[C@@H](C[NH2+]CC#Cc1ccccc1)C(C)C ZINC000381292118 710617145 /nfs/dbraw/zinc/61/71/45/710617145.db2.gz NXIUZLCUVLVYIV-HNNXBMFYSA-N 1 0 231.339 2.299 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000381381770 710630684 /nfs/dbraw/zinc/63/06/84/710630684.db2.gz LMTLNZSNCJEXBZ-NSHDSACASA-N 1 0 240.734 2.070 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000381471335 710640912 /nfs/dbraw/zinc/64/09/12/710640912.db2.gz OPRNYBFXENCLDY-LBPRGKRZSA-N 1 0 221.344 2.337 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1(CC#N)CC1 ZINC000381485876 710644446 /nfs/dbraw/zinc/64/44/46/710644446.db2.gz VIJWFCHFYOLCJJ-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C1CCC(C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000724565352 710742171 /nfs/dbraw/zinc/74/21/71/710742171.db2.gz CWRJOWHHMSKAKN-JSGCOSHPSA-N 1 0 222.376 2.273 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000724565355 710742547 /nfs/dbraw/zinc/74/25/47/710742547.db2.gz CWRJOWHHMSKAKN-TZMCWYRMSA-N 1 0 222.376 2.273 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)[C@H](C)C1 ZINC001044542969 710829197 /nfs/dbraw/zinc/82/91/97/710829197.db2.gz KOYKTUPQGXCJPK-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NCCCCC ZINC000384222878 710835483 /nfs/dbraw/zinc/83/54/83/710835483.db2.gz TVMYNDNVQLZXFS-TZMCWYRMSA-N 1 0 238.375 2.073 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000387502301 711043943 /nfs/dbraw/zinc/04/39/43/711043943.db2.gz XSXLLVCAUWCZKZ-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2ccco2)CC[C@@H]1C ZINC001071313417 711188708 /nfs/dbraw/zinc/18/87/08/711188708.db2.gz ZIEKLONBUNTURF-RYUDHWBXSA-N 1 0 248.326 2.048 20 30 BEEDRO C=C(C)C[N@H+]1CCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001072601263 711382758 /nfs/dbraw/zinc/38/27/58/711382758.db2.gz NFRCWSDJBUCTSR-ACAGNQJTSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)CC)[C@H]1C ZINC001074535193 711442667 /nfs/dbraw/zinc/44/26/67/711442667.db2.gz QCYSBSRWZRTDHY-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO N#C[C@@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC000383204810 711466671 /nfs/dbraw/zinc/46/66/71/711466671.db2.gz OPWOLIBEIMQMMR-VIFPVBQESA-N 1 0 214.259 2.267 20 30 BEEDRO N#C[C@H]1CCCN(CC2CC(F)(F)C2)C1 ZINC000383204809 711466677 /nfs/dbraw/zinc/46/66/77/711466677.db2.gz OPWOLIBEIMQMMR-SECBINFHSA-N 1 0 214.259 2.267 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1oc(C)nc1C)C(C)(C)C ZINC000723601663 711523941 /nfs/dbraw/zinc/52/39/41/711523941.db2.gz FCIHMSLOVMSKDY-GFCCVEGCSA-N 1 0 220.316 2.429 20 30 BEEDRO C#CCCCC[NH2+]Cc1oc(C)nc1C ZINC000723609517 711525115 /nfs/dbraw/zinc/52/51/15/711525115.db2.gz RXUTUZUNBHMTPK-UHFFFAOYSA-N 1 0 206.289 2.185 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723609857 711525335 /nfs/dbraw/zinc/52/53/35/711525335.db2.gz YUAKLLHRUWKGKJ-BFHYXJOUSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)CC1 ZINC000723610524 711525522 /nfs/dbraw/zinc/52/55/22/711525522.db2.gz JDEBDWWJEVMUOH-BFHYXJOUSA-N 1 0 248.370 2.475 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723643564 711529240 /nfs/dbraw/zinc/52/92/40/711529240.db2.gz IQLBYGWAEKTBSP-IGQOVBAYSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]([NH2+]CC1(C#N)CC1)[C@H]1CCCOC1 ZINC000724000745 711553392 /nfs/dbraw/zinc/55/33/92/711553392.db2.gz RYZBLAAVDGBPJZ-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)Cc1ccc(C#N)cc1 ZINC000724160459 711565056 /nfs/dbraw/zinc/56/50/56/711565056.db2.gz RYAHABWWOFLIMQ-UONOGXRCSA-N 1 0 230.311 2.167 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CCC(C)(C)C#N ZINC000724157047 711565146 /nfs/dbraw/zinc/56/51/46/711565146.db2.gz LEESXFDLJLHLHY-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@H]1CC[C@@H]1[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000724163416 711565872 /nfs/dbraw/zinc/56/58/72/711565872.db2.gz PJBRAUWUZFLTNP-GJZGRUSLSA-N 1 0 244.338 2.362 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C[C@H]1C ZINC000721501632 711571479 /nfs/dbraw/zinc/57/14/79/711571479.db2.gz SFIOZWAOLWPRDW-NWDGAFQWSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000724449886 711581180 /nfs/dbraw/zinc/58/11/80/711581180.db2.gz IBBVITBEZAEQHN-LOWDOPEQSA-N 1 0 224.348 2.472 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(C)s1 ZINC000716927881 711587793 /nfs/dbraw/zinc/58/77/93/711587793.db2.gz DPDKFZPGFDSRTL-NSHDSACASA-N 1 0 223.341 2.184 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)N1CCC[C@@H]1C ZINC000934469441 711588080 /nfs/dbraw/zinc/58/80/80/711588080.db2.gz UJWXPKCYNBTXPZ-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCC(=O)NC1CCCC1 ZINC000934469566 711588094 /nfs/dbraw/zinc/58/80/94/711588094.db2.gz FIOPBDSBKRVLSZ-CYBMUJFWSA-N 1 0 236.359 2.086 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H](C)C(C)(C)C ZINC000716929421 711588339 /nfs/dbraw/zinc/58/83/39/711588339.db2.gz SFDARJFNCQDZHM-VXGBXAGGSA-N 1 0 211.349 2.297 20 30 BEEDRO C=C1CCC(C[NH2+]CC2(O)CCC2)CC1 ZINC000724548527 711589290 /nfs/dbraw/zinc/58/92/90/711589290.db2.gz CYDAUHUHBBBSTO-UHFFFAOYSA-N 1 0 209.333 2.237 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCn2ccnc21 ZINC000926504843 711617816 /nfs/dbraw/zinc/61/78/16/711617816.db2.gz WVKCROKHXYNPIF-MNOVXSKESA-N 1 0 232.331 2.246 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000926512015 711619569 /nfs/dbraw/zinc/61/95/69/711619569.db2.gz IUZQZGUDSRCARP-ZDEQEGDKSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000721549177 711622695 /nfs/dbraw/zinc/62/26/95/711622695.db2.gz JDNGVKFQGOJLMY-JHJVBQTASA-N 1 0 241.375 2.107 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CCCC12CCCC2 ZINC000717823940 711626228 /nfs/dbraw/zinc/62/62/28/711626228.db2.gz TZDSDQHHHBHRDK-QWHCGFSZSA-N 1 0 221.344 2.073 20 30 BEEDRO N#Cc1cncc(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000721561850 711643905 /nfs/dbraw/zinc/64/39/05/711643905.db2.gz RXMJFFCEKIXKJR-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO CC#CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000162224417 711651173 /nfs/dbraw/zinc/65/11/73/711651173.db2.gz HGMGLXIMWUCFLE-SNVBAGLBSA-N 1 0 219.284 2.075 20 30 BEEDRO N#Cc1ccncc1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000135798398 711662196 /nfs/dbraw/zinc/66/21/96/711662196.db2.gz DSRDKOQVESQEHF-LBPRGKRZSA-N 1 0 242.326 2.040 20 30 BEEDRO CSCCC[N@H+](C)Cc1cncc(C#N)c1 ZINC000721624115 711671618 /nfs/dbraw/zinc/67/16/18/711671618.db2.gz RJIDROVKBNDONZ-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO C[C@@H]([NH2+]Cc1cncc(C#N)c1)C(C)(C)C ZINC000721624093 711671689 /nfs/dbraw/zinc/67/16/89/711671689.db2.gz RBDVHFAPYUBTIR-SNVBAGLBSA-N 1 0 217.316 2.477 20 30 BEEDRO CCC#C[C@@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000393751984 711677353 /nfs/dbraw/zinc/67/73/53/711677353.db2.gz SKSXFRXSGXDCDX-LLVKDONJSA-N 1 0 219.332 2.047 20 30 BEEDRO N#CCCOCC[N@@H+]1CCC2(CCCC2)C1 ZINC000395328025 711693927 /nfs/dbraw/zinc/69/39/27/711693927.db2.gz DUGIMQLGDCCOPC-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC001027280219 711724200 /nfs/dbraw/zinc/72/42/00/711724200.db2.gz OWELGQANMOZSSR-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C[N@@H+]1CC[C@H]2CN(CCCC(C)(C)C#N)CC[C@H]21 ZINC000879573441 711770136 /nfs/dbraw/zinc/77/01/36/711770136.db2.gz OFJIKASVFFKXRQ-UONOGXRCSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)/C=C\C2CC2)C1 ZINC000988461431 711795124 /nfs/dbraw/zinc/79/51/24/711795124.db2.gz PYCKYRZSUJWNSQ-SLBFPRPFSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988820292 711797265 /nfs/dbraw/zinc/79/72/65/711797265.db2.gz OPKAAPBYZAMDLO-RISCZKNCSA-N 1 0 248.370 2.252 20 30 BEEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H]1CC1(F)F ZINC000897630335 711798577 /nfs/dbraw/zinc/79/85/77/711798577.db2.gz VYGQVDYQGKZXRJ-HTRCEHHLSA-N 1 0 243.282 2.148 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccc(C#N)cc1 ZINC000927146629 711802374 /nfs/dbraw/zinc/80/23/74/711802374.db2.gz GQKZWRPBSALSJT-QEJZJMRPSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CCC2CCOCC2)C1 ZINC000590115654 711826510 /nfs/dbraw/zinc/82/65/10/711826510.db2.gz NUMJMSUCXAMJOS-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000167716303 711830657 /nfs/dbraw/zinc/83/06/57/711830657.db2.gz LBUPGGNWIPEVRD-ZJUUUORDSA-N 1 0 203.713 2.286 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)C(C)(C)C)C1 ZINC000829815823 711854166 /nfs/dbraw/zinc/85/41/66/711854166.db2.gz ULRVZOINXSEAQF-OLZOCXBDSA-N 1 0 223.360 2.129 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000703756401 711877045 /nfs/dbraw/zinc/87/70/45/711877045.db2.gz LZYAJFQHPBCROL-RYUDHWBXSA-N 1 0 226.364 2.200 20 30 BEEDRO N#CCCC[NH2+]Cc1csc(C#N)c1 ZINC000921985022 711952139 /nfs/dbraw/zinc/95/21/39/711952139.db2.gz NIFXBPRLWUBLGA-UHFFFAOYSA-N 1 0 205.286 2.013 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccco2)C1 ZINC001032864268 711965164 /nfs/dbraw/zinc/96/51/64/711965164.db2.gz FJEMVLYWBSVVOS-LBPRGKRZSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C(C)C)C1 ZINC001032916726 711968170 /nfs/dbraw/zinc/96/81/70/711968170.db2.gz AGDXIKXBTXUQHV-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)C2=CCCC2)C1 ZINC001033012281 711970658 /nfs/dbraw/zinc/97/06/58/711970658.db2.gz VIVICNOBDGJMDL-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1CSC1 ZINC000700445968 711995006 /nfs/dbraw/zinc/99/50/06/711995006.db2.gz YBAMCMLWFSGYQD-UHFFFAOYSA-N 1 0 212.362 2.269 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C=CCC2)s1 ZINC000700566674 711996771 /nfs/dbraw/zinc/99/67/71/711996771.db2.gz WRVBXUUDYOEVKA-SECBINFHSA-N 1 0 204.298 2.428 20 30 BEEDRO Cc1ccc(CN2CC[N@H+](C)[C@H](C)C2)cc1C#N ZINC000700719556 712004601 /nfs/dbraw/zinc/00/46/01/712004601.db2.gz ZGGMIRFBQOMMIY-CYBMUJFWSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC=CC2)C1 ZINC001033784076 712019477 /nfs/dbraw/zinc/01/94/77/712019477.db2.gz JBQRHMZRCUALBO-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO CCO[C@H]1CCN(Cc2ccc(C#N)cc2F)C1 ZINC000701708056 712027017 /nfs/dbraw/zinc/02/70/17/712027017.db2.gz BPEJCTMZIVQZCU-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO CCO[C@H]1CCN(Cc2cc(F)ccc2C#N)C1 ZINC000701699114 712027918 /nfs/dbraw/zinc/02/79/18/712027918.db2.gz HONHNVCWPYAJKM-AWEZNQCLSA-N 1 0 248.301 2.308 20 30 BEEDRO Cc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1C#N ZINC000701873120 712030637 /nfs/dbraw/zinc/03/06/37/712030637.db2.gz OKXQYYCCYFLTPI-CQSZACIVSA-N 1 0 244.338 2.383 20 30 BEEDRO COC[C@@H](C)C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701871129 712030812 /nfs/dbraw/zinc/03/08/12/712030812.db2.gz BFXXVQRVMXYURC-NSHDSACASA-N 1 0 232.327 2.239 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1C#N ZINC000701859067 712031302 /nfs/dbraw/zinc/03/13/02/712031302.db2.gz UHMYKWFGENZCHV-SMDDNHRTSA-N 1 0 230.311 2.134 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cncnc1 ZINC000701841903 712031311 /nfs/dbraw/zinc/03/13/11/712031311.db2.gz GXEHTALNVSGPNM-UHFFFAOYSA-N 1 0 205.305 2.169 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1C#N ZINC000701861780 712031352 /nfs/dbraw/zinc/03/13/52/712031352.db2.gz RTLQSNCNRSPFSV-RISCZKNCSA-N 1 0 230.311 2.134 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CCCOC2)cc1C#N ZINC000701862023 712031381 /nfs/dbraw/zinc/03/13/81/712031381.db2.gz ZMIAQEPEQLDRDV-CQSZACIVSA-N 1 0 230.311 2.135 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000701909523 712031861 /nfs/dbraw/zinc/03/18/61/712031861.db2.gz YFRUAPOBORTNOK-JHJVBQTASA-N 1 0 241.375 2.371 20 30 BEEDRO C=C(C)C[N@H+]1CCCC[C@H](NC(=O)C(C)C)C1 ZINC001034109258 712040834 /nfs/dbraw/zinc/04/08/34/712040834.db2.gz STJLAXSFQGUEFO-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CC[C@H](NC(=O)CC)CC1 ZINC001034573091 712067800 /nfs/dbraw/zinc/06/78/00/712067800.db2.gz GQXDWNLXWKMFSY-XYPYZODXSA-N 1 0 244.766 2.166 20 30 BEEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccoc2)CC1 ZINC001034593979 712071335 /nfs/dbraw/zinc/07/13/35/712071335.db2.gz XFQAFSAFLZEZMP-JOCQHMNTSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C/C=C(/C)C(=O)OC)C1 ZINC000703661722 712082514 /nfs/dbraw/zinc/08/25/14/712082514.db2.gz CGWXADKTBHRKBT-FSBNRTBOSA-N 1 0 237.343 2.394 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H](C)C1 ZINC000703698101 712083662 /nfs/dbraw/zinc/08/36/62/712083662.db2.gz KHQHGJXZIROVQI-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000703756933 712084813 /nfs/dbraw/zinc/08/48/13/712084813.db2.gz OYNKLBWFJFXYKY-VXGBXAGGSA-N 1 0 226.364 2.071 20 30 BEEDRO CCCCCCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000703751451 712084934 /nfs/dbraw/zinc/08/49/34/712084934.db2.gz CJVCLSHMJIKDRV-MNOVXSKESA-N 1 0 214.353 2.056 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000703754768 712085214 /nfs/dbraw/zinc/08/52/14/712085214.db2.gz WWXMCJYLDOPSLQ-LBPRGKRZSA-N 1 0 226.364 2.200 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000703756931 712085438 /nfs/dbraw/zinc/08/54/38/712085438.db2.gz OYNKLBWFJFXYKY-NWDGAFQWSA-N 1 0 226.364 2.071 20 30 BEEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)C)CC1 ZINC001034785489 712088752 /nfs/dbraw/zinc/08/87/52/712088752.db2.gz RPPKXHZCXJRABO-HAQNSBGRSA-N 1 0 238.375 2.236 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)C(C)C ZINC000705939609 712138521 /nfs/dbraw/zinc/13/85/21/712138521.db2.gz ALZMEHYUUKKYAX-AVGNSLFASA-N 1 0 209.333 2.191 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C1CCS(=O)CC1 ZINC000706433485 712146020 /nfs/dbraw/zinc/14/60/20/712146020.db2.gz GXZDNYKLRVUNEP-UHFFFAOYSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)C[C@H]1C ZINC001035993670 712152434 /nfs/dbraw/zinc/15/24/34/712152434.db2.gz SLMTZZLMWKRIRS-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C=C2CCC2)C[C@H]1C ZINC001035994082 712152654 /nfs/dbraw/zinc/15/26/54/712152654.db2.gz VXPJKUYQIFREFQ-OCCSQVGLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)COCC[NH2+]C1CC(SC)C1 ZINC000706753753 712154048 /nfs/dbraw/zinc/15/40/48/712154048.db2.gz IPCVOSUMQVOSOV-UHFFFAOYSA-N 1 0 215.362 2.063 20 30 BEEDRO N#CCc1ccc(C[N@@H+]2CC[C@H]3C[C@H]32)cc1 ZINC000706977169 712162788 /nfs/dbraw/zinc/16/27/88/712162788.db2.gz ZLDHSLCWZXBMJD-UONOGXRCSA-N 1 0 212.296 2.347 20 30 BEEDRO C#CC1(O)CC[NH+](CCCC(C)(C)C)CC1 ZINC000708118077 712182731 /nfs/dbraw/zinc/18/27/31/712182731.db2.gz YNNJLZSFUFRMLT-UHFFFAOYSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CC1(O)CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000708142116 712183163 /nfs/dbraw/zinc/18/31/63/712183163.db2.gz CMMTTYBPODCXFC-UHFFFAOYSA-N 1 0 249.741 2.300 20 30 BEEDRO CSC1CC([NH2+]CC2(CC#N)CC2)C1 ZINC000708291464 712185527 /nfs/dbraw/zinc/18/55/27/712185527.db2.gz UBIATELRGSREMK-UHFFFAOYSA-N 1 0 210.346 2.164 20 30 BEEDRO CCC[C@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000708389387 712191798 /nfs/dbraw/zinc/19/17/98/712191798.db2.gz QZGVJOQRRBBFCI-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000708382298 712191879 /nfs/dbraw/zinc/19/18/79/712191879.db2.gz YTTDCTFDLRMFOZ-CQSZACIVSA-N 1 0 244.338 2.463 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000708822037 712199920 /nfs/dbraw/zinc/19/99/20/712199920.db2.gz JCYJPHFWVITHQZ-AVGNSLFASA-N 1 0 223.360 2.175 20 30 BEEDRO CC1(C)C[C@H](C[NH2+]CCC#N)C(C)(C)O1 ZINC000709702512 712216357 /nfs/dbraw/zinc/21/63/57/712216357.db2.gz CBEALYQDTFJVLC-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1cn(C)cn1 ZINC000709916727 712232593 /nfs/dbraw/zinc/23/25/93/712232593.db2.gz BIHQAOQADPIUJU-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO CCCN1CC[C@@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000709978611 712236502 /nfs/dbraw/zinc/23/65/02/712236502.db2.gz WVKNTGSKJKTNRR-CHWSQXEVSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CC[S@@](C)=O)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709975653 712236604 /nfs/dbraw/zinc/23/66/04/712236604.db2.gz KVTGEHOEMRKJSN-OHUAYANFSA-N 1 0 244.404 2.061 20 30 BEEDRO CCCN1CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000709978618 712236720 /nfs/dbraw/zinc/23/67/20/712236720.db2.gz WVKNTGSKJKTNRR-STQMWFEESA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CCO)CC1 ZINC000710007527 712239418 /nfs/dbraw/zinc/23/94/18/712239418.db2.gz CJNODIATIZBKNI-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000710010844 712240081 /nfs/dbraw/zinc/24/00/81/712240081.db2.gz SNICLLJWHQTTKI-UTUOFQBUSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1cn(C)cn1 ZINC000710183480 712247537 /nfs/dbraw/zinc/24/75/37/712247537.db2.gz KYXLXKPONZLPMC-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@H]1CCC1(OC)OC ZINC000710993741 712273134 /nfs/dbraw/zinc/27/31/34/712273134.db2.gz FSWVZYCEXSVNEA-NSHDSACASA-N 1 0 227.348 2.330 20 30 BEEDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc(C#N)o2)OC1 ZINC000711222596 712290016 /nfs/dbraw/zinc/29/00/16/712290016.db2.gz GHUCZBRETYHCPE-LBPRGKRZSA-N 1 0 248.326 2.446 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@@H](CF)C2)cc1C#N ZINC000711435048 712300141 /nfs/dbraw/zinc/30/01/41/712300141.db2.gz MBEXBZQHIWXFFA-LBPRGKRZSA-N 1 0 248.301 2.358 20 30 BEEDRO N#Cc1cc(C[N@H+]2CC[C@H](CF)C2)ccc1F ZINC000711472915 712302869 /nfs/dbraw/zinc/30/28/69/712302869.db2.gz CARBZRAHOSGZQN-LLVKDONJSA-N 1 0 236.265 2.489 20 30 BEEDRO C#CCCC[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000711492063 712307257 /nfs/dbraw/zinc/30/72/57/712307257.db2.gz PTHBBHDIHOVCGW-UHFFFAOYSA-N 1 0 237.324 2.038 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711549604 712310469 /nfs/dbraw/zinc/31/04/69/712310469.db2.gz RPHPQTAPPZTUNN-OKILXGFUSA-N 1 0 244.363 2.353 20 30 BEEDRO C[C@@H]1[C@H](C)NC[C@H](C)[N@H+]1CC1CCC(C#N)CC1 ZINC000923435089 712322590 /nfs/dbraw/zinc/32/25/90/712322590.db2.gz DNOGGWBKFBBYDH-XDYZINJXSA-N 1 0 249.402 2.387 20 30 BEEDRO C=C(C)CC[NH2+]Cc1nccn1C1CC1 ZINC000711789066 712331030 /nfs/dbraw/zinc/33/10/30/712331030.db2.gz UPUJCXXUCMTIHQ-UHFFFAOYSA-N 1 0 205.305 2.274 20 30 BEEDRO CCCCCCCCN1CCC[C@]([NH3+])(CO)C1 ZINC000923479129 712334360 /nfs/dbraw/zinc/33/43/60/712334360.db2.gz MAAFVCLQNNXYOZ-CQSZACIVSA-N 1 0 242.407 2.133 20 30 BEEDRO COC(C)(C)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000378674707 712356438 /nfs/dbraw/zinc/35/64/38/712356438.db2.gz NSHODXUVPYCXPG-DCAQKATOSA-N 1 0 210.321 2.082 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1ccc(OC(C)(C)C)cc1 ZINC000764904639 712412404 /nfs/dbraw/zinc/41/24/04/712412404.db2.gz DRUKEIWPKSWEJS-UHFFFAOYSA-N 1 0 248.330 2.071 20 30 BEEDRO C#CC[N@H+]1C[C@@H](C(F)(F)F)CC[C@H]1C ZINC000780385121 712416632 /nfs/dbraw/zinc/41/66/32/712416632.db2.gz NJVOJCATSWNGAI-BDAKNGLRSA-N 1 0 205.223 2.282 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cnn(C)c1Cl ZINC000712467677 712430372 /nfs/dbraw/zinc/43/03/72/712430372.db2.gz VWBDAXXDEZIMGG-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C[N@@H+]1CC[C@@H]1CNc1cc(Cl)ccc1C#N ZINC000712596491 712435876 /nfs/dbraw/zinc/43/58/76/712435876.db2.gz UIBDYAHGTDKKHR-LLVKDONJSA-N 1 0 235.718 2.328 20 30 BEEDRO CC1(C)CC[NH2+]CCN1Cc1ccccc1C#N ZINC000712561058 712445837 /nfs/dbraw/zinc/44/58/37/712445837.db2.gz GGCFNYPQHVBNFM-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO C=CCC1(NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)CCCC1 ZINC000713250550 712456698 /nfs/dbraw/zinc/45/66/98/712456698.db2.gz XTRSHWDLZMBWFO-YWPYICTPSA-N 1 0 248.370 2.119 20 30 BEEDRO CC[N@@H+](CCC#N)CCCOC(F)(F)F ZINC000713438142 712460426 /nfs/dbraw/zinc/46/04/26/712460426.db2.gz SHNIVAUDTKKFEP-UHFFFAOYSA-N 1 0 224.226 2.148 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000714440093 712488631 /nfs/dbraw/zinc/48/86/31/712488631.db2.gz ZZQFBRJIUIARBT-TXEJJXNPSA-N 1 0 224.348 2.331 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)C1 ZINC000714724581 712496809 /nfs/dbraw/zinc/49/68/09/712496809.db2.gz PSYFMSUAVKKUNS-HDJSIYSDSA-N 1 0 230.311 2.073 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]Cc1cn(CC)nn1 ZINC000714925077 712500594 /nfs/dbraw/zinc/50/05/94/712500594.db2.gz VOUMYXNLLGGHRB-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO CCCCCCCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000715082208 712506994 /nfs/dbraw/zinc/50/69/94/712506994.db2.gz PXEHZTBXKVYVOD-HAQNSBGRSA-N 1 0 226.364 2.200 20 30 BEEDRO C=CCCC[NH+]1CCC(C(C)(C)O)CC1 ZINC000716390843 712558000 /nfs/dbraw/zinc/55/80/00/712558000.db2.gz DWYIUKLEUVECBW-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C[N@H+](CCCF)CCOc1ccccc1C#N ZINC000716718838 712570657 /nfs/dbraw/zinc/57/06/57/712570657.db2.gz SIFIQINETOGWEN-UHFFFAOYSA-N 1 0 236.290 2.228 20 30 BEEDRO COc1ccc(C#N)cc1C[N@H+](C)CCCF ZINC000716716040 712570741 /nfs/dbraw/zinc/57/07/41/712570741.db2.gz CYBPWPFDVAPQCQ-UHFFFAOYSA-N 1 0 236.290 2.358 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(C#N)cc1 ZINC000716808612 712575706 /nfs/dbraw/zinc/57/57/06/712575706.db2.gz BKKQBWPKBAMLKB-RISCZKNCSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000716823441 712577010 /nfs/dbraw/zinc/57/70/10/712577010.db2.gz ZHBKEEFCTPGCKQ-MELADBBJSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cc1ccsc1 ZINC000716829531 712577392 /nfs/dbraw/zinc/57/73/92/712577392.db2.gz SESGADXKHLUPBS-AAEUAGOBSA-N 1 0 237.368 2.307 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(F)c(F)c1 ZINC000716857966 712579142 /nfs/dbraw/zinc/57/91/42/712579142.db2.gz VSOFVRRDUKSOTD-NSHDSACASA-N 1 0 239.265 2.093 20 30 BEEDRO CC[C@@H](C[C@@H](C)O)[NH2+]CC#Cc1ccccc1 ZINC000716909944 712581991 /nfs/dbraw/zinc/58/19/91/712581991.db2.gz QLMIRJYPFMYPDM-HIFRSBDPSA-N 1 0 231.339 2.177 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CCc2ccccc2C1 ZINC000716932357 712597064 /nfs/dbraw/zinc/59/70/64/712597064.db2.gz DJNXXYOQPHDKFV-JKSUJKDBSA-N 1 0 243.350 2.172 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000716944746 712598484 /nfs/dbraw/zinc/59/84/84/712598484.db2.gz IMSDGQYMZHXTHY-CQSZACIVSA-N 1 0 247.338 2.137 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cc1cccc(F)c1 ZINC000716948703 712598812 /nfs/dbraw/zinc/59/88/12/712598812.db2.gz QWWWZIAUXTZEKG-SWLSCSKDSA-N 1 0 249.329 2.385 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cc1cccs1 ZINC000716959655 712600270 /nfs/dbraw/zinc/60/02/70/712600270.db2.gz ZSHLWZXVTXAQCW-RYUDHWBXSA-N 1 0 237.368 2.307 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CCCOCC1 ZINC000379944875 712634812 /nfs/dbraw/zinc/63/48/12/712634812.db2.gz YSWXGKZWSYIYFR-OAHLLOKOSA-N 1 0 229.323 2.197 20 30 BEEDRO CC1(C)CO[C@H](CC[NH2+]Cc2ccc(C#N)o2)C1 ZINC000717301988 712645827 /nfs/dbraw/zinc/64/58/27/712645827.db2.gz VNERPNZPOXZVNU-LLVKDONJSA-N 1 0 248.326 2.446 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](Nc2ccc(Cl)cn2)C1 ZINC000884612693 712648127 /nfs/dbraw/zinc/64/81/27/712648127.db2.gz RNMFVOJKDKRRIZ-LBPRGKRZSA-N 1 0 249.745 2.245 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2cncc(C)c2)CC1 ZINC000717421775 712657423 /nfs/dbraw/zinc/65/74/23/712657423.db2.gz CZBRLANWHMPLHV-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO C=CCC1(O)CC[NH+](CC(C)(C)COC)CC1 ZINC000717452041 712658744 /nfs/dbraw/zinc/65/87/44/712658744.db2.gz RZPLHUMWCIFCFL-UHFFFAOYSA-N 1 0 241.375 2.062 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](CC)C1CCCC1 ZINC000717727227 712667663 /nfs/dbraw/zinc/66/76/63/712667663.db2.gz HYDKEVZNVQCFJR-KBPBESRZSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)CCc1ccccc1 ZINC000717764425 712674198 /nfs/dbraw/zinc/67/41/98/712674198.db2.gz KAGCUWXLXLJBKW-GOEBONIOSA-N 1 0 245.366 2.372 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](CC)Cc1ccccc1 ZINC000717762503 712674328 /nfs/dbraw/zinc/67/43/28/712674328.db2.gz BPZWLYIMCXUVLT-HOTGVXAUSA-N 1 0 245.366 2.372 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)oc2ccccc21 ZINC000717785355 712676208 /nfs/dbraw/zinc/67/62/08/712676208.db2.gz CWWJZBVQYFTRIE-GFCCVEGCSA-N 1 0 243.306 2.215 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000380093942 712685570 /nfs/dbraw/zinc/68/55/70/712685570.db2.gz JRYZRWYPCNAXED-FRRDWIJNSA-N 1 0 209.333 2.051 20 30 BEEDRO CC(=O)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000111689745 712688293 /nfs/dbraw/zinc/68/82/93/712688293.db2.gz LLUYJZLGCSKMJK-AWEZNQCLSA-N 1 0 242.322 2.359 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@H]1CCC[C@H](CC)C1 ZINC000717841100 712691615 /nfs/dbraw/zinc/69/16/15/712691615.db2.gz OGAUNCCXLYGTFV-MELADBBJSA-N 1 0 223.360 2.177 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1 ZINC000718027935 712736344 /nfs/dbraw/zinc/73/63/44/712736344.db2.gz MBKAWJRMKORHKQ-ZFWWWQNUSA-N 1 0 245.322 2.130 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718812715 712783309 /nfs/dbraw/zinc/78/33/09/712783309.db2.gz MHFXWOPOARDKIJ-QWHCGFSZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CCCC[NH+]1CCC(CSC)CC1 ZINC000719322045 712804130 /nfs/dbraw/zinc/80/41/30/712804130.db2.gz NACFFJXWWVMULC-UHFFFAOYSA-N 1 0 211.374 2.475 20 30 BEEDRO C[C@@H]1[C@H](Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000719598477 712813164 /nfs/dbraw/zinc/81/31/64/712813164.db2.gz GVOBZYPXOUAXGS-ZWNOBZJWSA-N 1 0 215.300 2.063 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccc(C#N)cc1 ZINC000719648139 712820519 /nfs/dbraw/zinc/82/05/19/712820519.db2.gz PEZFRCNRGUPQMM-SLEUVZQESA-N 1 0 243.354 2.301 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000720272226 712830744 /nfs/dbraw/zinc/83/07/44/712830744.db2.gz JENQXBMYOUHFRP-LLVKDONJSA-N 1 0 224.348 2.473 20 30 BEEDRO CN1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C#N ZINC000720351738 712832789 /nfs/dbraw/zinc/83/27/89/712832789.db2.gz FMZYAVTYDLXHHZ-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)NC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000305141684 712840397 /nfs/dbraw/zinc/84/03/97/712840397.db2.gz HYPALKCYKBHNPR-UHFFFAOYSA-N 1 0 244.342 2.023 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)nn1 ZINC000720602666 712857427 /nfs/dbraw/zinc/85/74/27/712857427.db2.gz ZVJUMUXWCKXPNZ-CYBMUJFWSA-N 1 0 244.342 2.219 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720791008 712865737 /nfs/dbraw/zinc/86/57/37/712865737.db2.gz QCIQLABMUKOMKB-BXUZGUMPSA-N 1 0 247.338 2.037 20 30 BEEDRO C#C[C@@H]([NH2+]CC(CC)CC)[C@@H]1CCCO1 ZINC000380335970 712888425 /nfs/dbraw/zinc/88/84/25/712888425.db2.gz PZLGEKNUSFSXTF-OLZOCXBDSA-N 1 0 209.333 2.193 20 30 BEEDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2cccc(C#N)c2)C1 ZINC000721132041 712892063 /nfs/dbraw/zinc/89/20/63/712892063.db2.gz DQUPGPOPDQHOHL-GASCZTMLSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](CC#N)C2)C1 ZINC000721135853 712892388 /nfs/dbraw/zinc/89/23/88/712892388.db2.gz HYFCZLSHGPPNEN-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721165410 712893523 /nfs/dbraw/zinc/89/35/23/712893523.db2.gz DMQXXHIMZFHFEQ-MGPQQGTHSA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001266316314 957209616 /nfs/dbraw/zinc/20/96/16/957209616.db2.gz AEVLEMYRVFSLPU-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CCC[C@@H](OC)C2)CC1 ZINC001172945964 975001432 /nfs/dbraw/zinc/00/14/32/975001432.db2.gz DIKACAHUHSOTNC-ZIAGYGMSSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CCCC[NH+]1CC(N2CCC(F)CC2)C1 ZINC001209160427 957337467 /nfs/dbraw/zinc/33/74/67/957337467.db2.gz ZGXCQJGTDGBJFZ-UHFFFAOYSA-N 1 0 226.339 2.071 20 30 BEEDRO C=CC[N@H+](CCC)CCNC(=O)[C@H](C)C(C)C ZINC001266573339 957864155 /nfs/dbraw/zinc/86/41/55/957864155.db2.gz QMHZYOXOAYXQIP-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](CCC)C(C)C ZINC001167468190 958347566 /nfs/dbraw/zinc/34/75/66/958347566.db2.gz NPZYNKKDUOIIIM-CYBMUJFWSA-N 1 0 240.391 2.341 20 30 BEEDRO CCNC(NC[C@@]12C[C@@H]1CCCC2)=[NH+]CC ZINC000693523874 958663743 /nfs/dbraw/zinc/66/37/43/958663743.db2.gz QAKLVCMAWCQEHR-WCQYABFASA-N 1 0 223.364 2.142 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)C(C)(C)CC=C ZINC001267251032 959302535 /nfs/dbraw/zinc/30/25/35/959302535.db2.gz SBDHZQIUAKCWBI-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC1CCC1)[C@@H]1CCCO1 ZINC000309781253 959694647 /nfs/dbraw/zinc/69/46/47/959694647.db2.gz RGYWOQMANANVSW-UBHSHLNASA-N 1 0 221.344 2.336 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C ZINC001481066510 960013396 /nfs/dbraw/zinc/01/33/96/960013396.db2.gz FUWLMJWFKLMXQC-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@H]1CCO ZINC000694931947 960039479 /nfs/dbraw/zinc/03/94/79/960039479.db2.gz RIRTUJMBTUHCKH-CYBMUJFWSA-N 1 0 229.364 2.040 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@H](CO)OC[C@@H]1C ZINC000168605765 960077249 /nfs/dbraw/zinc/07/72/49/960077249.db2.gz OCCRAVBIMLMUFX-UONOGXRCSA-N 1 0 243.391 2.429 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)s1)[C@H]1CCCO1 ZINC000309701915 960322805 /nfs/dbraw/zinc/32/28/05/960322805.db2.gz MZUHSOQEAYREIQ-QWHCGFSZSA-N 1 0 235.352 2.327 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)/C(C)=C\C)C1 ZINC001267785456 960352326 /nfs/dbraw/zinc/35/23/26/960352326.db2.gz PJAIXNGIUPXTAL-MVXISAMASA-N 1 0 236.359 2.061 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1CCC(O)CC1 ZINC000695838327 960498205 /nfs/dbraw/zinc/49/82/05/960498205.db2.gz VRWKVCAKNQTXLW-PNESKVBLSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@H](C)NC(=O)/C(C)=C/CC ZINC001268680262 962278547 /nfs/dbraw/zinc/27/85/47/962278547.db2.gz IBRCRJULXHOQKJ-LAHYYIKRSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[N@@H+](C)CC(C)C ZINC001268743201 962325284 /nfs/dbraw/zinc/32/52/84/962325284.db2.gz PFXIHSCGEBZWFM-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)C1CCCC1 ZINC001269360961 962618462 /nfs/dbraw/zinc/61/84/62/962618462.db2.gz NMUIJULMMIWGTI-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)C ZINC001482378965 963228021 /nfs/dbraw/zinc/22/80/21/963228021.db2.gz XCXOEVFALAXOCP-CYBMUJFWSA-N 1 0 240.391 2.339 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(OC)o2)C1 ZINC000895562533 963434984 /nfs/dbraw/zinc/43/49/84/963434984.db2.gz JDIQGIJFZDEZMP-LLVKDONJSA-N 1 0 219.284 2.133 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H]1CCCCN1C(C)=O ZINC001157409003 963600929 /nfs/dbraw/zinc/60/09/29/963600929.db2.gz UWTQWISUNCLBRW-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2(CC#N)CCCC2)CCO1 ZINC001168104654 963720771 /nfs/dbraw/zinc/72/07/71/963720771.db2.gz MCMVHEBEDZKOOG-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C(C)(C)C(=C)Cl ZINC001158857922 963945086 /nfs/dbraw/zinc/94/50/86/963945086.db2.gz YJIXVHNUZSEUEA-UHFFFAOYSA-N 1 0 244.766 2.047 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)C1CCCCC1 ZINC001483304569 964967274 /nfs/dbraw/zinc/96/72/74/964967274.db2.gz PARPEUNKEZLJNS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc(C)nn1C ZINC000696078967 965232586 /nfs/dbraw/zinc/23/25/86/965232586.db2.gz LEIYEBFJWROTOD-UHFFFAOYSA-N 1 0 239.388 2.127 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NCCCCC#N)cn1 ZINC001168435509 965517406 /nfs/dbraw/zinc/51/74/06/965517406.db2.gz CPABXIFQDHMOLT-JTQLQIEISA-N 1 0 218.304 2.207 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C[C@H]1C[C@@H]1C ZINC001165894622 966184807 /nfs/dbraw/zinc/18/48/07/966184807.db2.gz FYQJCCIJQVSYIY-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C/C=C(/C)C=C ZINC001485180707 966558402 /nfs/dbraw/zinc/55/84/02/966558402.db2.gz GBSLPLLWFRJWQQ-FUTHCOOYSA-N 1 0 236.359 2.178 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001485180757 966559047 /nfs/dbraw/zinc/55/90/47/966559047.db2.gz GQZFOVQMMCEXQD-VXGBXAGGSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)CC ZINC001485267901 966568132 /nfs/dbraw/zinc/56/81/32/966568132.db2.gz XKCJSIGHODUBCB-NEPJUHHUSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@H+](C)CCC1CC1 ZINC001485284994 966573391 /nfs/dbraw/zinc/57/33/91/966573391.db2.gz WTEVZTTURWQHBF-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H](C)CCC ZINC001124588517 966667295 /nfs/dbraw/zinc/66/72/95/966667295.db2.gz SVHXPYXJDCGDAH-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cncn1CCC ZINC000169138501 1165835789 /nfs/dbraw/zinc/83/57/89/1165835789.db2.gz PVHRMXOZULTPSE-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C(C)(C)C(C)C ZINC001128162821 967359414 /nfs/dbraw/zinc/35/94/14/967359414.db2.gz VRVOSIGMKGRHMQ-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)CC1CCCC1 ZINC001205526917 967655607 /nfs/dbraw/zinc/65/56/07/967655607.db2.gz MHWYXUZCSRNZSE-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1Cc2cccc(Cl)c2C1 ZINC001168736199 967696657 /nfs/dbraw/zinc/69/66/57/967696657.db2.gz WIIHSHHSLBAALL-NSHDSACASA-N 1 0 219.715 2.372 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)CC)C1CC1 ZINC001670444537 1165905370 /nfs/dbraw/zinc/90/53/70/1165905370.db2.gz XOINSWDQPJFZHC-DGCLKSJQSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C(C)(C)F ZINC001168758849 967884408 /nfs/dbraw/zinc/88/44/08/967884408.db2.gz IBTSFIFBLZTKFH-LLVKDONJSA-N 1 0 244.354 2.185 20 30 BEEDRO C#CCNc1ccccc1C[N+](C)(C)CC ZINC001163367366 968027955 /nfs/dbraw/zinc/02/79/55/968027955.db2.gz VWNJDBJPIYKZOP-UHFFFAOYSA-N 1 0 217.336 2.328 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH2+]C(C)C)C(C)(C)C1 ZINC001278630424 968261764 /nfs/dbraw/zinc/26/17/64/968261764.db2.gz IJQVGCZOGDBUFK-LBPRGKRZSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCC[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001252089562 968510765 /nfs/dbraw/zinc/51/07/65/968510765.db2.gz RMCBWMFFDSRZQI-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC000167486872 1166016835 /nfs/dbraw/zinc/01/68/35/1166016835.db2.gz GXQKNLXZBFUSRC-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H](C)C1CC1 ZINC001266669019 1166019121 /nfs/dbraw/zinc/01/91/21/1166019121.db2.gz KZKJYESMHFNEBI-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCC[C@H](O)C[NH2+]C1(CC#N)CCCC1 ZINC001252120275 968606567 /nfs/dbraw/zinc/60/65/67/968606567.db2.gz RMORFTHASSQABC-LBPRGKRZSA-N 1 0 224.348 2.354 20 30 BEEDRO CCCCCCCC[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC001252121123 968606984 /nfs/dbraw/zinc/60/69/84/968606984.db2.gz CHMPPEWYJYBZFT-UONOGXRCSA-N 1 0 243.391 2.165 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]CC[C@@H](C)O ZINC001252139527 968608423 /nfs/dbraw/zinc/60/84/23/968608423.db2.gz KAGXJKOMQDKVJU-ZIAGYGMSSA-N 1 0 245.407 2.458 20 30 BEEDRO C=CCOC[C@@H](O)C[N@@H+](CCC)[C@H](C)CC ZINC001252452819 968706853 /nfs/dbraw/zinc/70/68/53/968706853.db2.gz COQAMBIEDFSCSF-OLZOCXBDSA-N 1 0 229.364 2.060 20 30 BEEDRO C=CCOC[C@H](O)C[N@H+]1CCCC[C@H]1CCC ZINC001252465433 968721354 /nfs/dbraw/zinc/72/13/54/968721354.db2.gz GVLURVHMYKBHGH-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)CC(C)C ZINC001772542319 1166088856 /nfs/dbraw/zinc/08/88/56/1166088856.db2.gz RKNZOAUPJCEVEX-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)CC1CCC1 ZINC001772542998 1166095144 /nfs/dbraw/zinc/09/51/44/1166095144.db2.gz XTJOAYPNWPAPKD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1C ZINC001724926496 1166111145 /nfs/dbraw/zinc/11/11/45/1166111145.db2.gz NZEDULAONNQSGG-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1cc(C)cs1 ZINC001252541292 968775825 /nfs/dbraw/zinc/77/58/25/968775825.db2.gz IMJWVSYHAMZIRR-NSHDSACASA-N 1 0 211.330 2.083 20 30 BEEDRO C=C[C@@](C)(O)C[NH+]1CCC2(CC(F)(F)C2)CC1 ZINC001252546810 968785242 /nfs/dbraw/zinc/78/52/42/968785242.db2.gz AZIPWUWGLNXUEO-LLVKDONJSA-N 1 0 245.313 2.435 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+](C)Cc1cccc(OC)c1 ZINC001252552170 968789889 /nfs/dbraw/zinc/78/98/89/968789889.db2.gz UOLHRPLUZDGMDR-AWEZNQCLSA-N 1 0 235.327 2.064 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC(C(C)C)CC1 ZINC001252561277 968807298 /nfs/dbraw/zinc/80/72/98/968807298.db2.gz ZGFIZECWKYPLNG-ZDUSSCGKSA-N 1 0 211.349 2.291 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1F ZINC001252575798 968827590 /nfs/dbraw/zinc/82/75/90/968827590.db2.gz GBYGUJNVABGBDE-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO N#C[C@@H]1CC[N@H+](C[C@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628460 968844743 /nfs/dbraw/zinc/84/47/43/968844743.db2.gz HQSBWVMQYBCFBV-WUHRBBMRSA-N 1 0 202.301 2.044 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCC1CCC(OC)CC1 ZINC001252582777 968834934 /nfs/dbraw/zinc/83/49/34/968834934.db2.gz WPUVOXGJNHCHKK-JXQTWKCFSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(C)cc1 ZINC001252586379 968839397 /nfs/dbraw/zinc/83/93/97/968839397.db2.gz FWUDZHSZEZFIHY-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC001252602472 968861154 /nfs/dbraw/zinc/86/11/54/968861154.db2.gz SMAYSIJPHIUMRF-MELADBBJSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)Cc1cccnc1C ZINC001252602587 968859200 /nfs/dbraw/zinc/85/92/00/968859200.db2.gz VBFGJBLQOZLASC-AWEZNQCLSA-N 1 0 234.343 2.149 20 30 BEEDRO C=CCC[C@@H](O)CNC(=[NH2+])c1cccc(C)c1 ZINC001252621224 968884073 /nfs/dbraw/zinc/88/40/73/968884073.db2.gz ZKDIXFGMVDDUJR-CYBMUJFWSA-N 1 0 232.327 2.237 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001691167808 1166151319 /nfs/dbraw/zinc/15/13/19/1166151319.db2.gz AGRYTWZZMPWGGA-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)[C@@H](C)CC ZINC001691262681 1166177411 /nfs/dbraw/zinc/17/74/11/1166177411.db2.gz OWHGOWQEZJBGIF-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC(C)(C)C ZINC001266924131 1166185856 /nfs/dbraw/zinc/18/58/56/1166185856.db2.gz WKTAIFDJQBUSMR-SNVBAGLBSA-N 1 0 246.782 2.269 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C(CC)CC ZINC001266924011 1166185969 /nfs/dbraw/zinc/18/59/69/1166185969.db2.gz UBLZWBHBSOHOBT-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[C@@H]([NH3+])C(C)(C)C ZINC000129447472 1166189323 /nfs/dbraw/zinc/18/93/23/1166189323.db2.gz SVHFQFGIKIPFHK-LLVKDONJSA-N 1 0 226.364 2.175 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)/C=C(\C)CC ZINC001691312696 1166193798 /nfs/dbraw/zinc/19/37/98/1166193798.db2.gz SLFKDMJGODFBQN-OUKQBFOZSA-N 1 0 238.375 2.357 20 30 BEEDRO C[NH+]1CCC(C)(CN2CCCC[C@H]2C#N)CC1 ZINC001208113297 969009542 /nfs/dbraw/zinc/00/95/42/969009542.db2.gz HGWOVVIHJQRFIR-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)CCC(C)(F)F ZINC001691366242 1166204978 /nfs/dbraw/zinc/20/49/78/1166204978.db2.gz FSOFNIFONAVTOW-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]1C[C@@H]1C ZINC001754278737 1166212699 /nfs/dbraw/zinc/21/26/99/1166212699.db2.gz LAHMWZBPZPKBHQ-RNJOBUHISA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+][C@H](C)CCO ZINC001253247408 969119253 /nfs/dbraw/zinc/11/92/53/969119253.db2.gz IXJLNSOOXJHKRT-KGLIPLIRSA-N 1 0 243.391 2.234 20 30 BEEDRO CCCCCCCC[N@H+](C)C[C@H](O)COC ZINC000106391598 1166259847 /nfs/dbraw/zinc/25/98/47/1166259847.db2.gz ZYQREKRCJOOULH-ZDUSSCGKSA-N 1 0 231.380 2.286 20 30 BEEDRO C=C(Br)C[NH2+]C[C@H]1CCSC1 ZINC000224466504 1166261390 /nfs/dbraw/zinc/26/13/90/1166261390.db2.gz JLPIANRRJKSGNC-MRVPVSSYSA-N 1 0 236.178 2.238 20 30 BEEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H](CF)C2)c1 ZINC000721517687 1166278058 /nfs/dbraw/zinc/27/80/58/1166278058.db2.gz RVGYGCRGJYLTCQ-NSHDSACASA-N 1 0 233.290 2.135 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1Cc1cc(C)nnc1C ZINC000934518163 1166288562 /nfs/dbraw/zinc/28/85/62/1166288562.db2.gz DSCXSFQXYHTWQD-AWEZNQCLSA-N 1 0 229.327 2.081 20 30 BEEDRO CC[N@H+](CCC#N)[C@H]1CCC[C@@H](OC)C1 ZINC000226545650 1166290829 /nfs/dbraw/zinc/29/08/29/1166290829.db2.gz HSBRHOBXVAPMRX-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC1(C)C ZINC001691435246 1166316148 /nfs/dbraw/zinc/31/61/48/1166316148.db2.gz XRVJVOKRAZCCDO-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](O)C[NH2+]C(C)(C)c1cccc(C)c1 ZINC001253607489 969305378 /nfs/dbraw/zinc/30/53/78/969305378.db2.gz XWMHOEUTOMPARD-ZDUSSCGKSA-N 1 0 219.328 2.367 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001267214733 1166325734 /nfs/dbraw/zinc/32/57/34/1166325734.db2.gz BNSZPMGNNQFTKJ-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CC[C@H](C(=O)OCC)CC1 ZINC001209003552 969319628 /nfs/dbraw/zinc/31/96/28/969319628.db2.gz KEFNSGLXOMNYOA-JOCQHMNTSA-N 1 0 239.359 2.474 20 30 BEEDRO CC(C)(C)[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001253727475 969349816 /nfs/dbraw/zinc/34/98/16/969349816.db2.gz DRKQXQUIVANZPN-FVCCEPFGSA-N 1 0 236.359 2.160 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040395 969358423 /nfs/dbraw/zinc/35/84/23/969358423.db2.gz ZPOWCFFDOGFEEQ-NWDGAFQWSA-N 1 0 226.320 2.330 20 30 BEEDRO CCCC[N@@H+](CCC#N)CCCC1OCCO1 ZINC001209306696 969434661 /nfs/dbraw/zinc/43/46/61/969434661.db2.gz WKYVDBDAAMDKDP-UHFFFAOYSA-N 1 0 240.347 2.155 20 30 BEEDRO C[C@H]1CC(=O)C=C(c2c[nH+]ccc2N)C1 ZINC000306648500 1166410975 /nfs/dbraw/zinc/41/09/75/1166410975.db2.gz DTQYBOMLYYTTSC-MRVPVSSYSA-N 1 0 202.257 2.046 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](F)C[C@@H](CO)C1 ZINC001209423191 969489821 /nfs/dbraw/zinc/48/98/21/969489821.db2.gz JCVJTAFUTCSWJV-CHWSQXEVSA-N 1 0 229.339 2.385 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC001209436702 969509662 /nfs/dbraw/zinc/50/96/62/969509662.db2.gz WTTQLXVTJZFCGJ-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCCC[N@H+]1CCCC[C@H]1C(N)=O ZINC001209435616 969509959 /nfs/dbraw/zinc/50/99/59/969509959.db2.gz GCPXCRFWGXNJTP-ZDUSSCGKSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCC[NH2+]CC[C@@H](C)NC(=O)/C(C)=C\CC ZINC001699085606 1166436069 /nfs/dbraw/zinc/43/60/69/1166436069.db2.gz SDAYXWPKAAAVIG-LLBKUYECSA-N 1 0 238.375 2.403 20 30 BEEDRO N#CC1CC[NH+]([C@H]2CCCSC2)CC1 ZINC000260124852 1166465115 /nfs/dbraw/zinc/46/51/15/1166465115.db2.gz RNXDPKQWOAFZKW-NSHDSACASA-N 1 0 210.346 2.118 20 30 BEEDRO C=CCCCCNc1cc(C)[nH+]c(N)n1 ZINC000309060451 1166473674 /nfs/dbraw/zinc/47/36/74/1166473674.db2.gz VKHCRBSMTXWGAG-UHFFFAOYSA-N 1 0 206.293 2.135 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(F)c(OC)c1 ZINC000309083930 1166475163 /nfs/dbraw/zinc/47/51/63/1166475163.db2.gz URHNVXSLIVRKOO-SECBINFHSA-N 1 0 209.264 2.498 20 30 BEEDRO N#C[C@@H](O[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC001217860167 1166482942 /nfs/dbraw/zinc/48/29/42/1166482942.db2.gz OSQJGRCZZNDDJC-CHWSQXEVSA-N 1 0 216.284 2.020 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCCC[N@@H+](C)CCC ZINC001752056299 1166494834 /nfs/dbraw/zinc/49/48/34/1166494834.db2.gz PPYMMVSZWUANNR-CQSZACIVSA-N 1 0 240.391 2.437 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)C1 ZINC001254665309 969775382 /nfs/dbraw/zinc/77/53/82/969775382.db2.gz MRFUYAZVWCKZTP-WTPMCQDGSA-N 1 0 208.280 2.111 20 30 BEEDRO CC(=O)[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C#N)C1 ZINC001254673888 969780797 /nfs/dbraw/zinc/78/07/97/969780797.db2.gz QNJGUSPHSBBYFJ-XQQFMLRXSA-N 1 0 220.316 2.122 20 30 BEEDRO CO[C@@H]1CC[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@@H](C)C1 ZINC001254678475 969783270 /nfs/dbraw/zinc/78/32/70/969783270.db2.gz FCXBRNOZOHXUCR-WUHRBBMRSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@@H]1CC(C[N@@H+]2CCC[C@H](C#N)C2)C[C@@H](C)O1 ZINC000724868829 1166536960 /nfs/dbraw/zinc/53/69/60/1166536960.db2.gz TWMBWSIFRGBCTL-JHJVBQTASA-N 1 0 236.359 2.426 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc2c(c1)CCC2 ZINC000393936191 1166559209 /nfs/dbraw/zinc/55/92/09/1166559209.db2.gz TXKLBBLLPXDWFT-UHFFFAOYSA-N 1 0 231.339 2.468 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H]1C[N@H+](C)CC1(C)C ZINC001156599295 969932429 /nfs/dbraw/zinc/93/24/29/969932429.db2.gz ZDCFZOJRAWAZKV-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169982918 969933252 /nfs/dbraw/zinc/93/32/52/969933252.db2.gz XLGZUQYSVJTKRW-JTQLQIEISA-N 1 0 239.363 2.289 20 30 BEEDRO CCCC[N@H+](C)CCN[C@H](CC)CC#N ZINC001255153296 969960657 /nfs/dbraw/zinc/96/06/57/969960657.db2.gz UVQIRGNHVYKIPO-GFCCVEGCSA-N 1 0 211.353 2.000 20 30 BEEDRO CC[C@H](CC#N)N(C)CCC[NH+]1CCCC1 ZINC001255172323 969984319 /nfs/dbraw/zinc/98/43/19/969984319.db2.gz NBSLAUBVZNARKQ-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C=C(C)C)C1 ZINC001691487066 1166580622 /nfs/dbraw/zinc/58/06/22/1166580622.db2.gz RXEOODKNOCPSQE-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000695787419 1166684386 /nfs/dbraw/zinc/68/43/86/1166684386.db2.gz NBHFZYYORXPPMZ-MNOVXSKESA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H](CC(F)(F)F)NC(=[NH2+])c1ccc(F)cn1 ZINC001255635503 970409153 /nfs/dbraw/zinc/40/91/53/970409153.db2.gz BFQLGGHHUGOUTO-LURJTMIESA-N 1 0 249.211 2.267 20 30 BEEDRO C#CCCCCC[N@H+]1CCCC[C@@H]1CO ZINC000686677032 1166745825 /nfs/dbraw/zinc/74/58/25/1166745825.db2.gz CKURQSGMSRBCLQ-CYBMUJFWSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CCC[NH2+][C@H](CC)CNC(=O)C/C=C(\C)C=C ZINC001732212848 1166802605 /nfs/dbraw/zinc/80/26/05/1166802605.db2.gz XQFJUQMRPILPRE-KADHNRKRSA-N 1 0 248.370 2.017 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)NC(C)=CC(C)=O ZINC001255943247 970574801 /nfs/dbraw/zinc/57/48/01/970574801.db2.gz LAYNCGMOJFUDCO-NIANNCQZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001713331246 1166803843 /nfs/dbraw/zinc/80/38/43/1166803843.db2.gz KAFRSJMRZLFUBY-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@H](C)CC ZINC001714567569 1166809193 /nfs/dbraw/zinc/80/91/93/1166809193.db2.gz ARBMNSNBBVSLCR-OLZOCXBDSA-N 1 0 240.391 2.293 20 30 BEEDRO N#Cc1ccccc1OCC[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167914234 1166811974 /nfs/dbraw/zinc/81/19/74/1166811974.db2.gz UHIQKKJLLFKOQC-WDNDVIMCSA-N 1 0 242.322 2.325 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)N1CCCC[C@@H]1C#N ZINC001255962846 970599756 /nfs/dbraw/zinc/59/97/56/970599756.db2.gz AMHBZMQMUNHMQY-ZIAGYGMSSA-N 1 0 237.391 2.485 20 30 BEEDRO C=C(C)C[NH+]1CC(CNC(=O)C(CC)CC)C1 ZINC001481613293 1166863821 /nfs/dbraw/zinc/86/38/21/1166863821.db2.gz OSQOJMZFJNXMGD-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C1CC1 ZINC001755278759 1166870171 /nfs/dbraw/zinc/87/01/71/1166870171.db2.gz PONIDKWIBNUZGQ-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CC(C)(C)C=C ZINC001755302380 1166875440 /nfs/dbraw/zinc/87/54/40/1166875440.db2.gz DGQPCTSKHBEMNX-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC(C)(C)C=C ZINC001755302382 1166876494 /nfs/dbraw/zinc/87/64/94/1166876494.db2.gz DGQPCTSKHBEMNX-LBPRGKRZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)C1(CC)CC1 ZINC001753488976 1166881553 /nfs/dbraw/zinc/88/15/53/1166881553.db2.gz HBTZLNOLWOXIJH-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H]([NH2+]CC)C(C)C ZINC001753837232 1166922435 /nfs/dbraw/zinc/92/24/35/1166922435.db2.gz LAWGRYLBXKGKBF-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2C#N)C1 ZINC000304518737 1166929339 /nfs/dbraw/zinc/92/93/39/1166929339.db2.gz KJJIJLXGCQJISX-NSHDSACASA-N 1 0 236.702 2.295 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1cc(C)oc1C ZINC000381475704 1166935743 /nfs/dbraw/zinc/93/57/43/1166935743.db2.gz QNBVZOATSIBXQX-NSHDSACASA-N 1 0 221.300 2.197 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000381507973 1166939268 /nfs/dbraw/zinc/93/92/68/1166939268.db2.gz UCEJXLYLYJZUSF-ZDUSSCGKSA-N 1 0 221.344 2.073 20 30 BEEDRO C=CCCC(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001493495011 1166952449 /nfs/dbraw/zinc/95/24/49/1166952449.db2.gz LGUSRIJDGZUEDW-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCc2ncsc2C1 ZINC001173126745 975035973 /nfs/dbraw/zinc/03/59/73/975035973.db2.gz QYMDFOQVIFGFNC-LLVKDONJSA-N 1 0 234.368 2.394 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCc2ncsc2C1 ZINC001173127815 975039334 /nfs/dbraw/zinc/03/93/34/975039334.db2.gz DAWYDVAMKJHWEV-ZJUUUORDSA-N 1 0 235.356 2.282 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)Cc1ccc(CC)cc1 ZINC001173244444 975081341 /nfs/dbraw/zinc/08/13/41/975081341.db2.gz PALOZLCHZJJSJP-DOMZBBRYSA-N 1 0 233.355 2.317 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001269211237 1167000835 /nfs/dbraw/zinc/00/08/35/1167000835.db2.gz SILYIJRRGOHBDD-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](CC2CCC(O)CC2)C1 ZINC000397771649 1167022526 /nfs/dbraw/zinc/02/25/26/1167022526.db2.gz HHKYSUKSQGSNJD-IYXRBSQSSA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1ccccc1 ZINC001482250794 1167024102 /nfs/dbraw/zinc/02/41/02/1167024102.db2.gz JEOYISUBVFCYMU-ZDUSSCGKSA-N 1 0 246.354 2.313 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001269908486 1167024556 /nfs/dbraw/zinc/02/45/56/1167024556.db2.gz ZSNDZJLSZJDMEJ-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000398105421 1167042045 /nfs/dbraw/zinc/04/20/45/1167042045.db2.gz ZEUPIASTKTVZTF-AGIUHOORSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCOC1CCC(n2nccc2C[NH3+])CC1 ZINC001173308152 975217512 /nfs/dbraw/zinc/21/75/12/975217512.db2.gz DYWFWINODFYMMD-UHFFFAOYSA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H](CO)C(C)C)CC1 ZINC001173309329 975221832 /nfs/dbraw/zinc/22/18/32/975221832.db2.gz VJVQWCPZLKGKMT-RUXDESIVSA-N 1 0 241.375 2.107 20 30 BEEDRO N#CCC1CCC([NH2+]C2CC3(COC3)C2)CC1 ZINC001173330101 975279095 /nfs/dbraw/zinc/27/90/95/975279095.db2.gz SVTFYVUMRLAFTC-UHFFFAOYSA-N 1 0 234.343 2.227 20 30 BEEDRO CC1(O)CC[NH+](C2CCC(CC#N)CC2)CC1 ZINC001173330916 975281179 /nfs/dbraw/zinc/28/11/79/975281179.db2.gz HPILBBUMECOZDJ-UHFFFAOYSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)c1cccs1 ZINC000382348175 1167097510 /nfs/dbraw/zinc/09/75/10/1167097510.db2.gz FWSUMTQKOIHQSF-SNVBAGLBSA-N 1 0 224.329 2.329 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H](C)CC(C)(C)C#N ZINC001332881881 975307605 /nfs/dbraw/zinc/30/76/05/975307605.db2.gz UFCFRRTWLIHHFT-MNOVXSKESA-N 1 0 210.321 2.105 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)COc1ccc(C)cc1C ZINC000122742339 1167114908 /nfs/dbraw/zinc/11/49/08/1167114908.db2.gz CDVUCNIYWFMDIM-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C[Si](C)(C)C#CN(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167991439 1167116541 /nfs/dbraw/zinc/11/65/41/1167116541.db2.gz HYHZRYHTJXVSAC-UHFFFAOYSA-N 1 0 249.365 2.364 20 30 BEEDRO C#CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181832936 1167144884 /nfs/dbraw/zinc/14/48/84/1167144884.db2.gz WGGHJDGVTQTYCU-IHRRRGAJSA-N 1 0 233.355 2.337 20 30 BEEDRO C=C[C@H](COC)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001333000771 975365229 /nfs/dbraw/zinc/36/52/29/975365229.db2.gz OQSVLELZEGZIAW-FVCCEPFGSA-N 1 0 209.333 2.213 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](CO)CC#CC ZINC000895098368 1167152645 /nfs/dbraw/zinc/15/26/45/1167152645.db2.gz ZCFYOGZUZBWDRH-OLZOCXBDSA-N 1 0 209.333 2.095 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc[nH]1 ZINC001270896236 1167155648 /nfs/dbraw/zinc/15/56/48/1167155648.db2.gz PPONKOLYURPQKN-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO CCC[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588964 975431131 /nfs/dbraw/zinc/43/11/31/975431131.db2.gz OXWJVBXQBVESJZ-OTTFEQOBSA-N 1 0 224.348 2.209 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCCC[C@H]2CO)CC1 ZINC001173592608 975438324 /nfs/dbraw/zinc/43/83/24/975438324.db2.gz VUXDOCROBSDQJR-MOKVOYLWSA-N 1 0 236.359 2.306 20 30 BEEDRO COCC1C[NH+](C2CCC(C)(C#N)CC2)C1 ZINC001173591967 975440720 /nfs/dbraw/zinc/44/07/20/975440720.db2.gz ANYRUUIGRSBOAM-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCC[NH2+][C@H]1CC[C@@H](CC(=O)OCC)C1 ZINC001173624665 975487240 /nfs/dbraw/zinc/48/72/40/975487240.db2.gz CFKKDGXOGZTFTG-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)C1CCSCC1 ZINC000308901729 1167218955 /nfs/dbraw/zinc/21/89/55/1167218955.db2.gz BNBILQVIKDTTEM-CMPLNLGQSA-N 1 0 229.389 2.309 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1sc(C)nc1C ZINC000309039627 1167241757 /nfs/dbraw/zinc/24/17/57/1167241757.db2.gz KNHJYSNQEQERGX-JTQLQIEISA-N 1 0 226.345 2.051 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(F)cc1 ZINC000309028776 1167241835 /nfs/dbraw/zinc/24/18/35/1167241835.db2.gz CICQLBUJBYVLPH-LBPRGKRZSA-N 1 0 209.264 2.116 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccccc1C ZINC000309046453 1167244213 /nfs/dbraw/zinc/24/42/13/1167244213.db2.gz OXXCDTRTZDEXPG-ZDUSSCGKSA-N 1 0 205.301 2.286 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOC2CCC2)c(F)c1 ZINC000690952864 1167252756 /nfs/dbraw/zinc/25/27/56/1167252756.db2.gz NVTOTUVRXHNARD-UHFFFAOYSA-N 1 0 248.301 2.356 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC1(O)CCCCCC1 ZINC000384193155 1167288968 /nfs/dbraw/zinc/28/89/68/1167288968.db2.gz IDAHCZGOLIIXAG-ZDUSSCGKSA-N 1 0 223.360 2.463 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000309369692 1167295808 /nfs/dbraw/zinc/29/58/08/1167295808.db2.gz BVEWUPAELAQCMX-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@H](CC#N)[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000309448444 1167306667 /nfs/dbraw/zinc/30/66/67/1167306667.db2.gz LXYNPTSQLXWZIT-IJLUTSLNSA-N 1 0 224.348 2.472 20 30 BEEDRO CCOC(=O)CC[C@H](C)[NH2+]CCCCC#N ZINC000309452564 1167308613 /nfs/dbraw/zinc/30/86/13/1167308613.db2.gz LNGKHPFWOGUGHJ-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2csc(C#N)c2)C1 ZINC001334124763 976324656 /nfs/dbraw/zinc/32/46/56/976324656.db2.gz BEDLAFYNAHORKS-LBPRGKRZSA-N 1 0 249.383 2.146 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCc2ccccc21 ZINC000309490078 1167320389 /nfs/dbraw/zinc/32/03/89/1167320389.db2.gz WUSTUEVPWVPTKQ-TZMCWYRMSA-N 1 0 217.312 2.465 20 30 BEEDRO C=CCC[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689083065 1167358193 /nfs/dbraw/zinc/35/81/93/1167358193.db2.gz PYMXJPMWIVTSPR-UHFFFAOYSA-N 1 0 225.313 2.200 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1nc(C)c(C)s1 ZINC000168698416 1167377401 /nfs/dbraw/zinc/37/74/01/1167377401.db2.gz QDYXDGJYJHMJEQ-UHFFFAOYSA-N 1 0 240.372 2.442 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)[C@H](F)CC ZINC001174727278 976972201 /nfs/dbraw/zinc/97/22/01/976972201.db2.gz YBKYJTJYTLUXKA-NWDGAFQWSA-N 1 0 244.354 2.185 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1CC(C)(C)C1 ZINC001335480687 977085122 /nfs/dbraw/zinc/08/51/22/977085122.db2.gz HBWILDVFDKRBFB-NSHDSACASA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC000310094123 1167410705 /nfs/dbraw/zinc/41/07/05/1167410705.db2.gz TZRZESYFKOIMNK-SMDDNHRTSA-N 1 0 230.311 2.477 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CCO[C@@H](C)C#N)c(C)o1 ZINC000310136225 1167421510 /nfs/dbraw/zinc/42/15/10/1167421510.db2.gz CFRHOOUNOVGXOM-QWRGUYRKSA-N 1 0 236.315 2.476 20 30 BEEDRO C[NH2+]C[C@H](C)CNc1cccc(Cl)c1C#N ZINC000168352966 1167450638 /nfs/dbraw/zinc/45/06/38/1167450638.db2.gz KZRNWKBRYQLVTK-VIFPVBQESA-N 1 0 237.734 2.479 20 30 BEEDRO C#C[C@H](CC(C)C)OCC1CC[NH+](C)CC1 ZINC001224454070 1167560371 /nfs/dbraw/zinc/56/03/71/1167560371.db2.gz MTXWUEPDKWWPMI-CQSZACIVSA-N 1 0 223.360 2.393 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC001336763529 977929650 /nfs/dbraw/zinc/92/96/50/977929650.db2.gz NWJDQRLLMUKLHB-GXTWGEPZSA-N 1 0 219.328 2.317 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC001336763531 977932524 /nfs/dbraw/zinc/93/25/24/977932524.db2.gz NWJDQRLLMUKLHB-OCCSQVGLSA-N 1 0 219.328 2.317 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCC(F)(F)F)nc1 ZINC001336796137 977965664 /nfs/dbraw/zinc/96/56/64/977965664.db2.gz CHCGWHMIFWYGAT-UHFFFAOYSA-N 1 0 243.232 2.385 20 30 BEEDRO C[C@]1(C#N)CCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC001168394931 1167641855 /nfs/dbraw/zinc/64/18/55/1167641855.db2.gz HYMHTHAFVBWYDU-OAHLLOKOSA-N 1 0 247.386 2.096 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C(=C)C[NH+](C)C ZINC001337488600 978369393 /nfs/dbraw/zinc/36/93/93/978369393.db2.gz OBIZLYVXSXKRBD-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO CC[C@H]1COC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000699435695 1167772015 /nfs/dbraw/zinc/77/20/15/1167772015.db2.gz CRULNHSECDLISJ-KBPBESRZSA-N 1 0 230.311 2.073 20 30 BEEDRO SC1CCN(Cc2cncc(Cl)n2)CC1 ZINC001233449532 978607280 /nfs/dbraw/zinc/60/72/80/978607280.db2.gz HYBMSGNYBABWIN-UHFFFAOYSA-N 1 0 243.763 2.024 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001338293397 978654513 /nfs/dbraw/zinc/65/45/13/978654513.db2.gz HXMOXTQVGMEDEH-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)[C@@H](C)CC ZINC001234138166 978781863 /nfs/dbraw/zinc/78/18/63/978781863.db2.gz ZCYZEVJRTXASPF-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO CCCCCCCN1CC2(C1)CCC[NH2+]2 ZINC001235199421 978996411 /nfs/dbraw/zinc/99/64/11/978996411.db2.gz ZPEQEDIAUYJMMQ-UHFFFAOYSA-N 1 0 210.365 2.395 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)CCC(C)C ZINC001235464067 979047774 /nfs/dbraw/zinc/04/77/74/979047774.db2.gz GAGYFZSYDIJULT-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)C[C@@H](F)CC ZINC001235451212 979047806 /nfs/dbraw/zinc/04/78/06/979047806.db2.gz DPGPCZBSRFEQIR-LBPRGKRZSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)C[C@@H](C)C(C)C ZINC001235524306 979063890 /nfs/dbraw/zinc/06/38/90/979063890.db2.gz CYUQDFTXHRGJHK-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)CC)C1 ZINC001484030929 1168221964 /nfs/dbraw/zinc/22/19/64/1168221964.db2.gz ZQSSFZXHYXVXFZ-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@](C)(NC(=O)[C@H](C)CC)C1 ZINC001484030930 1168223118 /nfs/dbraw/zinc/22/31/18/1168223118.db2.gz ZQSSFZXHYXVXFZ-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21 ZINC001341441669 979401577 /nfs/dbraw/zinc/40/15/77/979401577.db2.gz KCVHKEVBOMHLOY-XQHKEYJVSA-N 1 0 238.375 2.056 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CCC)C[C@@H]1C ZINC001484972814 1168239805 /nfs/dbraw/zinc/23/98/05/1168239805.db2.gz YLAXGFMURMJEBH-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CC1=CCCCC1 ZINC001124831983 1168254442 /nfs/dbraw/zinc/25/44/42/1168254442.db2.gz ZYMCRCIXFVTUQH-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CC1(CC(=O)N[C@H]2C[C@H]([NH3+])C2)CCCCC1 ZINC001342053181 979636471 /nfs/dbraw/zinc/63/64/71/979636471.db2.gz QEBPZIIVWOUDDZ-HAQNSBGRSA-N 1 0 236.359 2.119 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@H](C)[NH2+]CC=C(C)C ZINC001733967758 1168346875 /nfs/dbraw/zinc/34/68/75/1168346875.db2.gz XTYSEDANBOYFEG-STQMWFEESA-N 1 0 238.375 2.402 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C=C)CC ZINC001734050943 1168349116 /nfs/dbraw/zinc/34/91/16/1168349116.db2.gz LVFVSYXSANJHNW-STQMWFEESA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CN(C)C(=O)c1cc[nH]c1 ZINC001734328090 1168348373 /nfs/dbraw/zinc/34/83/73/1168348373.db2.gz UMDAMACBIMKDPE-LBPRGKRZSA-N 1 0 249.358 2.031 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC)C1 ZINC001734105062 1168348753 /nfs/dbraw/zinc/34/87/53/1168348753.db2.gz ABYPWEDBJLTUIU-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CC1CC[NH+](CC2OC=CC2=S)CC1 ZINC001237183764 979832432 /nfs/dbraw/zinc/83/24/32/979832432.db2.gz UODWFUUMQZTFKU-UHFFFAOYSA-N 1 0 222.313 2.304 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC)C[C@@H]1C ZINC001183651233 979860532 /nfs/dbraw/zinc/86/05/32/979860532.db2.gz ZEEITVOWRBPWTE-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC001343138260 980020302 /nfs/dbraw/zinc/02/03/02/980020302.db2.gz CUIWAEPVGXTFRJ-NEPJUHHUSA-N 1 0 243.322 2.128 20 30 BEEDRO C#CCNc1ccc(F)c(C[NH+]2CCCC2)c1 ZINC001163372089 1168410672 /nfs/dbraw/zinc/41/06/72/1168410672.db2.gz FSVQYMWHKNWHIF-UHFFFAOYSA-N 1 0 232.302 2.467 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CC[C@@H]([NH2+]C(C)C)C1 ZINC001185931954 980305828 /nfs/dbraw/zinc/30/58/28/980305828.db2.gz JZIJHUCYXVZOSJ-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@H](CC)CC(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC001344049916 980327310 /nfs/dbraw/zinc/32/73/10/980327310.db2.gz HKNXCRBTYDZLPY-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO CCc1cc(C[NH+]2CCC2)ccc1C#N ZINC001238766313 980323130 /nfs/dbraw/zinc/32/31/30/980323130.db2.gz KLDRSDXDEFDCQT-UHFFFAOYSA-N 1 0 200.285 2.326 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC001344848922 980484110 /nfs/dbraw/zinc/48/41/10/980484110.db2.gz XXOIGIVQOZHSNM-FVCCEPFGSA-N 1 0 238.375 2.186 20 30 BEEDRO CCCCCCCOC(=O)N[C@]12C[C@H]1C[NH2+]C2 ZINC001239317992 980527689 /nfs/dbraw/zinc/52/76/89/980527689.db2.gz LPFSRKIWCQJLSV-AAEUAGOBSA-N 1 0 240.347 2.045 20 30 BEEDRO CCCCCCCCCOC(=O)NC1C[NH2+]C1 ZINC001239319827 980530361 /nfs/dbraw/zinc/53/03/61/980530361.db2.gz UYENPNYZHNZUIV-UHFFFAOYSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCOC(=O)N1CC(C[NH2+]C)C1 ZINC001239328992 980537949 /nfs/dbraw/zinc/53/79/49/980537949.db2.gz PYDBFROWBZKJBZ-UHFFFAOYSA-N 1 0 242.363 2.245 20 30 BEEDRO C[C@H](CC[NH+]1CCCC1)OC(=O)CCCC#N ZINC001345531087 980624828 /nfs/dbraw/zinc/62/48/28/980624828.db2.gz BAXYRJIGUQTEGU-GFCCVEGCSA-N 1 0 238.331 2.098 20 30 BEEDRO CCCCCCCC(=O)N[C@H]1C[NH2+]CC12CC2 ZINC001346463460 980844335 /nfs/dbraw/zinc/84/43/35/980844335.db2.gz ZWXJIPIZJFSFIG-LBPRGKRZSA-N 1 0 238.375 2.215 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C/C=C(\C)C=C ZINC001132495719 1168563511 /nfs/dbraw/zinc/56/35/11/1168563511.db2.gz BBYFIJCKXWYNPF-MDWZMJQESA-N 1 0 236.359 2.181 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C/C=C(/C)C=C ZINC001132495718 1168563625 /nfs/dbraw/zinc/56/36/25/1168563625.db2.gz BBYFIJCKXWYNPF-JYRVWZFOSA-N 1 0 236.359 2.181 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C)[C@@H](C[NH2+]CC)C1 ZINC001132701483 1168565315 /nfs/dbraw/zinc/56/53/15/1168565315.db2.gz SBPBJTOHJRFFFB-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)(C)C ZINC001133730360 1168574404 /nfs/dbraw/zinc/57/44/04/1168574404.db2.gz AIIUOPKJZZFIOQ-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001191056549 980960139 /nfs/dbraw/zinc/96/01/39/980960139.db2.gz DLRPZEWUYYZFFG-CABCVRRESA-N 1 0 234.387 2.349 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CC[C@@H](C)CC ZINC001135612145 1168603926 /nfs/dbraw/zinc/60/39/26/1168603926.db2.gz QGJGEKBNWHKRCK-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001135869017 1168610463 /nfs/dbraw/zinc/61/04/63/1168610463.db2.gz ZZVOFBVPORTMCB-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO N#CCC1CCC([NH2+][C@H]2CCSC2=O)CC1 ZINC001173328252 1168685787 /nfs/dbraw/zinc/68/57/87/1168685787.db2.gz UPDXALBXUIYMKP-ILDUYXDCSA-N 1 0 238.356 2.081 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2cnco2)CC1 ZINC001173328261 1168686170 /nfs/dbraw/zinc/68/61/70/1168686170.db2.gz UYYJLQNPGZIEMF-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO CC(=O)[C@H]1CC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173336563 1168687261 /nfs/dbraw/zinc/68/72/61/1168687261.db2.gz DOWXOTFKKBOKEC-MOKVOYLWSA-N 1 0 234.343 2.370 20 30 BEEDRO N#CCC1CCC([N@@H+]2CC[C@H]3OCC[C@H]32)CC1 ZINC001173336275 1168687437 /nfs/dbraw/zinc/68/74/37/1168687437.db2.gz UQUVSYYWMCQXIT-NWINJMCUSA-N 1 0 234.343 2.322 20 30 BEEDRO CCN1CC[C@@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173334362 1168687700 /nfs/dbraw/zinc/68/77/00/1168687700.db2.gz QMKOQDBUJAABIH-JXQTWKCFSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173337477 1168687924 /nfs/dbraw/zinc/68/79/24/1168687924.db2.gz LOPSAXQNSMIFNH-RYSNWHEDSA-N 1 0 236.359 2.304 20 30 BEEDRO N#CCC1CCC(N2CC[NH+]3CCC2CC3)CC1 ZINC001173337364 1168688833 /nfs/dbraw/zinc/68/88/33/1168688833.db2.gz JNHNREBIZSRBDM-UHFFFAOYSA-N 1 0 247.386 2.239 20 30 BEEDRO N#CCc1cc(F)cc(C2=CCC[NH2+]C2)c1 ZINC001240670658 981580780 /nfs/dbraw/zinc/58/07/80/981580780.db2.gz LSTCIYCUOIOMGN-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO N#Cc1c(F)ccc(Nc2[nH]cc[nH+]2)c1F ZINC001176083814 1168703647 /nfs/dbraw/zinc/70/36/47/1168703647.db2.gz FDSVRXUYJVOPNN-UHFFFAOYSA-N 1 0 220.182 2.303 20 30 BEEDRO C#CC1([NH2+]Cc2cnsc2)CCCC1 ZINC001179437197 1168723736 /nfs/dbraw/zinc/72/37/36/1168723736.db2.gz CENZXDFXLINFFM-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001351130039 982213334 /nfs/dbraw/zinc/21/33/34/982213334.db2.gz ZKKQMQLTQSDGKR-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)CCC)C1 ZINC001192059689 1168787348 /nfs/dbraw/zinc/78/73/48/1168787348.db2.gz JHZVGIISQKIQEL-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)[N@H+](CC)CC(=C)C ZINC001152313126 982508849 /nfs/dbraw/zinc/50/88/49/982508849.db2.gz HPAXBKUQVNRKNZ-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCCN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717024754 1168833542 /nfs/dbraw/zinc/83/35/42/1168833542.db2.gz DIEWFTYZAYWCSH-UWVGGRQHSA-N 1 0 236.281 2.164 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)/C(C)=C\C ZINC001490173487 1168854391 /nfs/dbraw/zinc/85/43/91/1168854391.db2.gz APLRBUQJCBKHTP-MLPAPPSSSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CCCC(=O)NCC1CC([NH2+]CC(=C)C)C1 ZINC001100171734 982636894 /nfs/dbraw/zinc/63/68/94/982636894.db2.gz KGMCJTPGDQVRQK-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C#CCC[N@H+](CC#Cc1ccccc1)CCOC ZINC000852749215 1168863249 /nfs/dbraw/zinc/86/32/49/1168863249.db2.gz SRUKTDRRESLROQ-UHFFFAOYSA-N 1 0 241.334 2.010 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C[C@@H](C)CC)CC1 ZINC001200274027 982783593 /nfs/dbraw/zinc/78/35/93/982783593.db2.gz YYBXSKRLNPJFMV-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC1([NH2+]C[C@H](O)CCC=C)CCCCC1 ZINC001252622969 1168896389 /nfs/dbraw/zinc/89/63/89/1168896389.db2.gz BKXRJVDBXHBXDM-CYBMUJFWSA-N 1 0 221.344 2.239 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001252622923 1168896438 /nfs/dbraw/zinc/89/64/38/1168896438.db2.gz AOBGOHZJGPMWJR-YVECIDJPSA-N 1 0 209.333 2.092 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCC[C@H]1C ZINC000379927010 1168926897 /nfs/dbraw/zinc/92/68/97/1168926897.db2.gz ULAUGTICVUUMPQ-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[N@@H+](C[C@@H](O)COCC)C1CCCCC1 ZINC001252034328 983097447 /nfs/dbraw/zinc/09/74/47/983097447.db2.gz OHJLCDXNRWDUAP-CQSZACIVSA-N 1 0 241.375 2.205 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000886365423 1168981531 /nfs/dbraw/zinc/98/15/31/1168981531.db2.gz HXHBUOQFDMTGJX-OLZOCXBDSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)CC(C)C)C[C@@H]1C ZINC001274587596 1169032780 /nfs/dbraw/zinc/03/27/80/1169032780.db2.gz CCJJZKLEUCVCQA-QWHCGFSZSA-N 1 0 238.375 2.188 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]CCC1CCCCCC1 ZINC000717831243 1169032360 /nfs/dbraw/zinc/03/23/60/1169032360.db2.gz RPQCLWTYNATOPT-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@@](C)(O)C1 ZINC001201761680 983465827 /nfs/dbraw/zinc/46/58/27/983465827.db2.gz OBNOJQQMHUHSIM-ZDUSSCGKSA-N 1 0 229.364 2.040 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC=C ZINC001110964384 1169078241 /nfs/dbraw/zinc/07/82/41/1169078241.db2.gz JACDXFHVDAUSJH-MCIONIFRSA-N 1 0 248.370 2.250 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H]1c1nncn1C ZINC000686676864 1169109403 /nfs/dbraw/zinc/10/94/03/1169109403.db2.gz QOJYXASQHGGLCP-ZDUSSCGKSA-N 1 0 246.358 2.146 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000686678181 1169109650 /nfs/dbraw/zinc/10/96/50/1169109650.db2.gz NFDWVHCLAGDCOU-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000686676489 1169108552 /nfs/dbraw/zinc/10/85/52/1169108552.db2.gz HXPHBBNOPGJQSP-CHWSQXEVSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@H]1COC ZINC000686692947 1169111385 /nfs/dbraw/zinc/11/13/85/1169111385.db2.gz PPJIYQMWVVNYGI-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](CC)C1 ZINC001357193661 983673502 /nfs/dbraw/zinc/67/35/02/983673502.db2.gz IPEUYYFHAMGUTJ-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@H+](CCC=C)C1 ZINC001490558628 983733329 /nfs/dbraw/zinc/73/33/29/983733329.db2.gz IRZBWVSXRNRMRJ-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC001358253260 983841830 /nfs/dbraw/zinc/84/18/30/983841830.db2.gz ZFNFOSVMFWPUKB-UPJWGTAASA-N 1 0 238.375 2.032 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC001358506071 983881068 /nfs/dbraw/zinc/88/10/68/983881068.db2.gz NUDNZNILTTVBMX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@@H](CC#N)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000062979972 1169183893 /nfs/dbraw/zinc/18/38/93/1169183893.db2.gz FCRANKOLEJISFX-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO C#CCCC[NH2+][C@@H](CO)c1ccccc1C ZINC000381391767 1169213954 /nfs/dbraw/zinc/21/39/54/1169213954.db2.gz OHZLGJILQWROMN-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO CCOc1ccnc(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC001254648867 1169236863 /nfs/dbraw/zinc/23/68/63/1169236863.db2.gz LBISWVJUIZDNSC-NEPJUHHUSA-N 1 0 245.326 2.262 20 30 BEEDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC001254649371 1169237218 /nfs/dbraw/zinc/23/72/18/1169237218.db2.gz SIPNHNARQJYCJU-NEPJUHHUSA-N 1 0 245.326 2.262 20 30 BEEDRO CCOc1ccnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC001254648874 1169238320 /nfs/dbraw/zinc/23/83/20/1169238320.db2.gz LBISWVJUIZDNSC-VXGBXAGGSA-N 1 0 245.326 2.262 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2C[C@@H]3CC(=O)C[C@@H]3C2)CC1 ZINC001254955928 1169240484 /nfs/dbraw/zinc/24/04/84/1169240484.db2.gz FEWJVRNDTYWJEN-MQYQWHSLSA-N 1 0 246.354 2.370 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(CC=C)CC=C)C1 ZINC001490893650 1169255456 /nfs/dbraw/zinc/25/54/56/1169255456.db2.gz QDIGHFCRDCCDDW-HDJSIYSDSA-N 1 0 248.370 2.178 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001490894531 1169256003 /nfs/dbraw/zinc/25/60/03/1169256003.db2.gz MWNRWYVLEKBJGD-JOCQHMNTSA-N 1 0 236.359 2.012 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)CC1CCC1 ZINC001491421760 1169276179 /nfs/dbraw/zinc/27/61/79/1169276179.db2.gz DBHWCXLTTGTDHJ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)CC1CCC1 ZINC001491422497 1169274437 /nfs/dbraw/zinc/27/44/37/1169274437.db2.gz GRESGVIAQYIUAW-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)C(=C)C ZINC001331521162 974745852 /nfs/dbraw/zinc/74/58/52/974745852.db2.gz YYMRABAIEAYHGB-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCN1CCC(C)CC1 ZINC001172476657 974774712 /nfs/dbraw/zinc/77/47/12/974774712.db2.gz PLKDFYDOCVISRH-CQSZACIVSA-N 1 0 237.391 2.390 20 30 BEEDRO Cc1coc(C[NH2+][C@@H](C)CCCC#N)n1 ZINC001172476670 974775558 /nfs/dbraw/zinc/77/55/58/974775558.db2.gz PNEOSFMYUYWCMJ-VIFPVBQESA-N 1 0 207.277 2.155 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1cncnc1 ZINC001172482279 974784077 /nfs/dbraw/zinc/78/40/77/974784077.db2.gz DQIKGDNJPMAWLF-WDEREUQCSA-N 1 0 218.304 2.210 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1nccnc1Cl ZINC001172482064 974784194 /nfs/dbraw/zinc/78/41/94/974784194.db2.gz ZWIXHGFKGFDUFM-SECBINFHSA-N 1 0 238.722 2.302 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1C=CCCCCC1 ZINC001117746012 1169304905 /nfs/dbraw/zinc/30/49/05/1169304905.db2.gz ONMRZUSXXGXAAV-AWEZNQCLSA-N 1 0 221.344 2.457 20 30 BEEDRO CC(C)OCC[C@H](C)[N@@H+]1CCC[C@@H](C#N)C1 ZINC001172448919 974813865 /nfs/dbraw/zinc/81/38/65/974813865.db2.gz QEYMAKHHWYYLTF-STQMWFEESA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cn(CCF)cn1 ZINC001172487184 974819988 /nfs/dbraw/zinc/81/99/88/974819988.db2.gz KVRDUGBKVATVAU-NSHDSACASA-N 1 0 238.310 2.025 20 30 BEEDRO CC(C)OCC[C@@H](C)[N@@H+]1CC[C@@](C)(C#N)C1 ZINC001172455191 974819621 /nfs/dbraw/zinc/81/96/21/974819621.db2.gz RFTNROXMTUUIGD-OLZOCXBDSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC1(CC[NH2+][C@@H](C)CCCC#N)OCCO1 ZINC001172487617 974830001 /nfs/dbraw/zinc/83/00/01/974830001.db2.gz CQBYHAIFOHESNI-LBPRGKRZSA-N 1 0 240.347 2.202 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCN(C2CCC2)C1 ZINC001172487798 974832178 /nfs/dbraw/zinc/83/21/78/974832178.db2.gz JMEFQLBTAHPTRM-OLZOCXBDSA-N 1 0 235.375 2.285 20 30 BEEDRO C#CCOc1ccc(C[NH+]2CC=CC2)cc1 ZINC001138556101 1169360423 /nfs/dbraw/zinc/36/04/23/1169360423.db2.gz FQOSWBODWMCVFH-UHFFFAOYSA-N 1 0 213.280 2.070 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)nc2)C2(CC2)C1 ZINC001140546349 1169372366 /nfs/dbraw/zinc/37/23/66/1169372366.db2.gz FRILTLJQENKUKW-NSHDSACASA-N 1 0 227.311 2.328 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CC2)C2CCC2)CC1 ZINC000691556829 973017005 /nfs/dbraw/zinc/01/70/05/973017005.db2.gz MSVUJHQACWJNCS-GFCCVEGCSA-N 1 0 204.317 2.458 20 30 BEEDRO C#C[C@H]1CCCN(CC[NH+]2CCC(C)CC2)C1 ZINC000847020372 973064410 /nfs/dbraw/zinc/06/44/10/973064410.db2.gz BCWMLNYMAWOQEH-HNNXBMFYSA-N 1 0 234.387 2.064 20 30 BEEDRO C[NH2+]CCN(c1cc(C#N)cc(C)n1)C(C)(C)C ZINC001157833157 1169433714 /nfs/dbraw/zinc/43/37/14/1169433714.db2.gz ISEMGTCZQQIYHZ-UHFFFAOYSA-N 1 0 246.358 2.086 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402207697 970769063 /nfs/dbraw/zinc/76/90/63/970769063.db2.gz LFOFWTFEFDAGCJ-ABAIWWIYSA-N 1 0 244.338 2.322 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001752957889 1169439117 /nfs/dbraw/zinc/43/91/17/1169439117.db2.gz HFFNBCHYBOZPQW-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C/C=C(/C)C=C ZINC001329105061 973484231 /nfs/dbraw/zinc/48/42/31/973484231.db2.gz SBRSRIQSXNLFTE-CUSVYIHLSA-N 1 0 248.370 2.015 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402183270 970770000 /nfs/dbraw/zinc/77/00/00/970770000.db2.gz FAAPEYMUERFZKH-GJZGRUSLSA-N 1 0 244.338 2.466 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1NC(C)=O ZINC001224394817 973622193 /nfs/dbraw/zinc/62/21/93/973622193.db2.gz MGIJEGUHPDBCFX-IACUBPJLSA-N 1 0 238.375 2.378 20 30 BEEDRO C#CCCCNc1cc(O[C@H]2CCOC2)cc[nH+]1 ZINC001162446977 1169451970 /nfs/dbraw/zinc/45/19/70/1169451970.db2.gz XAWVDWNWSWOISY-ZDUSSCGKSA-N 1 0 246.310 2.075 20 30 BEEDRO CC(C)C[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000402199308 970770315 /nfs/dbraw/zinc/77/03/15/970770315.db2.gz JGZDVJNEISXENE-CQSZACIVSA-N 1 0 232.327 2.179 20 30 BEEDRO C[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000402287993 970782122 /nfs/dbraw/zinc/78/21/22/970782122.db2.gz XTNLEUBKRAIKAV-LALPHHSUSA-N 1 0 244.338 2.322 20 30 BEEDRO Cc1ccc(NCC#Cc2ccccc2)[nH+]c1N ZINC001170425764 970786392 /nfs/dbraw/zinc/78/63/92/970786392.db2.gz FKFMYDMXRNDBPH-UHFFFAOYSA-N 1 0 237.306 2.436 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)Cc1ccccn1 ZINC001256401447 970810220 /nfs/dbraw/zinc/81/02/20/970810220.db2.gz SZEPYDZIWWUGER-OCCSQVGLSA-N 1 0 216.328 2.404 20 30 BEEDRO C#CC(C)(C)NC1CC[NH+](C(C)(C)C)CC1 ZINC001256554323 970859862 /nfs/dbraw/zinc/85/98/62/970859862.db2.gz FNBLVIFAKJTISO-UHFFFAOYSA-N 1 0 222.376 2.251 20 30 BEEDRO CC(C)(C)[NH+]1CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001256576956 970867483 /nfs/dbraw/zinc/86/74/83/970867483.db2.gz WMSYXWJXFPQNSF-OAHLLOKOSA-N 1 0 249.402 2.485 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC001256617156 970881205 /nfs/dbraw/zinc/88/12/05/970881205.db2.gz IJUIDNXEMQDRHC-GSPSYOTPSA-N 1 0 220.360 2.003 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000234794476 973763621 /nfs/dbraw/zinc/76/36/21/973763621.db2.gz QPQAOTAQPMZNJC-IUCAKERBSA-N 1 0 248.164 2.298 20 30 BEEDRO N#C[C@@H]1CC=C(c2ccc3c(n2)CC[NH2+]C3)CC1 ZINC001243788248 970922884 /nfs/dbraw/zinc/92/28/84/970922884.db2.gz ABDQZCLDDRJYSC-LLVKDONJSA-N 1 0 239.322 2.434 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC001147860971 973782785 /nfs/dbraw/zinc/78/27/85/973782785.db2.gz MRVBARWVBBQGDQ-JQWIXIFHSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C[NH+]1CCCC1)c1nnc([C@H]2C[C@H]2C)o1 ZINC001256698429 970924991 /nfs/dbraw/zinc/92/49/91/970924991.db2.gz GIJUUBKAIVJVLL-KOLCDFICSA-N 1 0 233.315 2.302 20 30 BEEDRO C#CCSCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403404384 970934002 /nfs/dbraw/zinc/93/40/02/970934002.db2.gz UWUKPIYVPDJCAX-FRRDWIJNSA-N 1 0 223.385 2.379 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)C1CCC1 ZINC001130145349 970934878 /nfs/dbraw/zinc/93/48/78/970934878.db2.gz MQZCGKIGXHVZGD-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C[N@@H+]1CCC[C@H](OCc2ccc(C#N)cc2)C1 ZINC001205598067 1169486159 /nfs/dbraw/zinc/48/61/59/1169486159.db2.gz MHPNFZBUPVJEFW-AWEZNQCLSA-N 1 0 230.311 2.169 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]Cc1cnn(C)n1 ZINC000806167230 970993583 /nfs/dbraw/zinc/99/35/83/970993583.db2.gz ORLDJDFICKTIST-GFCCVEGCSA-N 1 0 236.363 2.430 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](C)C(CC)CC ZINC001130570198 971010105 /nfs/dbraw/zinc/01/01/05/971010105.db2.gz NELZZHJFUQHMHJ-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO SCCC[NH2+][C@@H]1CCCN(C2CCCC2)C1 ZINC001256904697 971017191 /nfs/dbraw/zinc/01/71/91/971017191.db2.gz LVSZOONWOMFDSO-GFCCVEGCSA-N 1 0 242.432 2.303 20 30 BEEDRO CC[C@@H](C#N)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256906898 971017746 /nfs/dbraw/zinc/01/77/46/971017746.db2.gz FCBIUTAYDLMWIW-QWHCGFSZSA-N 1 0 235.375 2.285 20 30 BEEDRO C#C[C@H](C)N[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256904730 971022449 /nfs/dbraw/zinc/02/24/49/971022449.db2.gz MJNVCGMEWQMISJ-STQMWFEESA-N 1 0 220.360 2.005 20 30 BEEDRO CO[C@@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256965237 971026050 /nfs/dbraw/zinc/02/60/50/971026050.db2.gz NPWOOMRWNBVDHZ-WXRRBKDZSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1COCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256964784 971037700 /nfs/dbraw/zinc/03/77/00/971037700.db2.gz CYJGYZCASXGKST-HIFPTAJRSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cnccn1 ZINC001256958110 971033723 /nfs/dbraw/zinc/03/37/23/971033723.db2.gz UGZVKTGIXBTULV-VOMCLLRMSA-N 1 0 230.315 2.210 20 30 BEEDRO C[C@H]([NH3+])c1ccn(C2CCC(C#N)CC2)n1 ZINC001256958117 971033822 /nfs/dbraw/zinc/03/38/22/971033822.db2.gz UQBHSMCNOSUKMD-WHXUTIOJSA-N 1 0 218.304 2.158 20 30 BEEDRO C[C@@H]1CC[N@@H+](C2CCC(C#N)CC2)CC[C@H]1O ZINC001256965205 971034983 /nfs/dbraw/zinc/03/49/83/971034983.db2.gz NBIFTICKNDBNCY-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CC[N@@H+](C2CCC(C#N)CC2)CCC1=O ZINC001256963641 971035219 /nfs/dbraw/zinc/03/52/19/971035219.db2.gz JWPWSTHAIKZPIU-HIFPTAJRSA-N 1 0 234.343 2.370 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@H](CO)CC2)CC1 ZINC001256964834 971036534 /nfs/dbraw/zinc/03/65/34/971036534.db2.gz DQSPJTRFELNXMU-MOKVOYLWSA-N 1 0 236.359 2.163 20 30 BEEDRO COC1CC(C[NH2+]C2CCC(C#N)CC2)C1 ZINC001256963360 971039562 /nfs/dbraw/zinc/03/95/62/971039562.db2.gz HGXNARDOSXRHNR-UHFFFAOYSA-N 1 0 222.332 2.083 20 30 BEEDRO CCC[N@H+](CCOC)C1CCC(C#N)CC1 ZINC001256964864 971039615 /nfs/dbraw/zinc/03/96/15/971039615.db2.gz FKKAUNPCGHYUNM-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256969362 971044513 /nfs/dbraw/zinc/04/45/13/971044513.db2.gz FVMULXNTRAAUSQ-ROKHWSDSSA-N 1 0 234.343 2.370 20 30 BEEDRO CCCN1CC[NH+](C2CCC(C#N)CC2)CC1 ZINC001256969242 971041793 /nfs/dbraw/zinc/04/17/93/971041793.db2.gz CBPFDSGRFWFNPR-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO C[C@]1(O)CCCC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256965703 971042549 /nfs/dbraw/zinc/04/25/49/971042549.db2.gz XVYXSXWRVKCXBV-RUXDESIVSA-N 1 0 236.359 2.306 20 30 BEEDRO N#CC1CCC([N@@H+]2CCC[C@@]3(CCO3)C2)CC1 ZINC001256969217 971042903 /nfs/dbraw/zinc/04/29/03/971042903.db2.gz BETAQZHBGUXBGI-JXQTWKCFSA-N 1 0 234.343 2.324 20 30 BEEDRO N#CC1CCC([N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)CC1 ZINC001256973740 971050326 /nfs/dbraw/zinc/05/03/26/971050326.db2.gz WTHDKLWGTJVRPR-KUAIZNHUSA-N 1 0 246.354 2.178 20 30 BEEDRO CNc1cc(Nc2cc(C#N)cnc2C)cc[nH+]1 ZINC001216334268 971050512 /nfs/dbraw/zinc/05/05/12/971050512.db2.gz SAPCTACBSNNTBE-UHFFFAOYSA-N 1 0 239.282 2.442 20 30 BEEDRO CNc1cc(Nc2cccnc2C#N)cc[nH+]1 ZINC001216333081 971044909 /nfs/dbraw/zinc/04/49/09/971044909.db2.gz FQJZFJVBPYUEKP-UHFFFAOYSA-N 1 0 225.255 2.134 20 30 BEEDRO N#CC1CCC([NH+]2CCN(CC3CC3)CC2)CC1 ZINC001256968806 971045341 /nfs/dbraw/zinc/04/53/41/971045341.db2.gz NZGLDHFNXAGQJG-UHFFFAOYSA-N 1 0 247.386 2.096 20 30 BEEDRO CSCC[N@H+](C)C1CCC(C#N)CC1 ZINC001256971991 971051109 /nfs/dbraw/zinc/05/11/09/971051109.db2.gz PWMVZEYZVYOLSS-UHFFFAOYSA-N 1 0 212.362 2.364 20 30 BEEDRO CNc1cc(Nc2ccc(C#N)cc2O)cc[nH+]1 ZINC001216338910 971052449 /nfs/dbraw/zinc/05/24/49/971052449.db2.gz YOGMOMJOCNLEBZ-UHFFFAOYSA-N 1 0 240.266 2.444 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C(=O)OCC)C2)C1 ZINC001257063447 971084749 /nfs/dbraw/zinc/08/47/49/971084749.db2.gz HIIKEPHCBXTIAP-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)S)C[C@H](C)O1 ZINC001257081448 971093537 /nfs/dbraw/zinc/09/35/37/971093537.db2.gz PKNKFOWCJJMASD-ILWJIGKKSA-N 1 0 217.378 2.240 20 30 BEEDRO C=CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@H]1C ZINC001216499295 971097699 /nfs/dbraw/zinc/09/76/99/971097699.db2.gz IYPNCYUXQZQISI-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CC[C@](C)(C#N)C2)C[C@H](C)O1 ZINC001257106408 971118672 /nfs/dbraw/zinc/11/86/72/971118672.db2.gz PTWZUAHMRYZQCH-YVECIDJPSA-N 1 0 222.332 2.178 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC[C@@H](CC#N)C2)CC1 ZINC001257218945 971131906 /nfs/dbraw/zinc/13/19/06/971131906.db2.gz ZZDAOTOPPFHJTQ-AWEZNQCLSA-N 1 0 249.402 2.485 20 30 BEEDRO CCN(CCC#N)C1CC[NH+](C(C)C)CC1 ZINC001257219827 971134171 /nfs/dbraw/zinc/13/41/71/971134171.db2.gz JUAKLHZELOJQMT-UHFFFAOYSA-N 1 0 223.364 2.095 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C1(CC(C)C)CCC1 ZINC001131142268 971141146 /nfs/dbraw/zinc/14/11/46/971141146.db2.gz WWDVLBNHRDYAIH-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]CC1(C#N)CCCC1 ZINC000405089960 971195402 /nfs/dbraw/zinc/19/54/02/971195402.db2.gz GDTFXIMDFLYSED-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C#C[C@H](CC)OCCC[NH+]1CCCCC1 ZINC001224856101 974031508 /nfs/dbraw/zinc/03/15/08/974031508.db2.gz WUYFGBULEMONJY-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](NC(=O)CC)CC[C@@H]1C ZINC001131735934 971256725 /nfs/dbraw/zinc/25/67/25/971256725.db2.gz UFFOOJJOVKBILI-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H](NC(=O)CCC)CC[C@H]1C ZINC001131747605 971263315 /nfs/dbraw/zinc/26/33/15/971263315.db2.gz MMBLYFRIQPFHLC-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]Cc2cccc(C#N)c2)[C@@H]1C ZINC000405576867 971280406 /nfs/dbraw/zinc/28/04/06/971280406.db2.gz FTGKHMJWOHFHLA-SUNKGSAMSA-N 1 0 230.311 2.071 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000405610252 971283953 /nfs/dbraw/zinc/28/39/53/971283953.db2.gz PLDDRAIFGFVVPX-PKFCDNJMSA-N 1 0 248.301 2.210 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)/C=C\C2CC2)CC[C@@H]1C ZINC001131939213 971297126 /nfs/dbraw/zinc/29/71/26/971297126.db2.gz OKECHAPQIMGUAO-WOGKYTKMSA-N 1 0 248.370 2.108 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000405749999 971300501 /nfs/dbraw/zinc/30/05/01/971300501.db2.gz XOYZZPHTUOKTLG-PKFCDNJMSA-N 1 0 248.301 2.210 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2ccc(C#N)cc2Cl)C1 ZINC000405800078 971311795 /nfs/dbraw/zinc/31/17/95/971311795.db2.gz UWYAFLURISZOSM-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C/C=C\Cl ZINC001132308286 971332784 /nfs/dbraw/zinc/33/27/84/971332784.db2.gz BLVDKQOXUVGNGU-WAYWQWQTSA-N 1 0 244.766 2.047 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132304495 971333051 /nfs/dbraw/zinc/33/30/51/971333051.db2.gz QYXLTEGVNCBMRK-UHFFFAOYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]CCC(C)C ZINC001132308265 971333711 /nfs/dbraw/zinc/33/37/11/971333711.db2.gz ATJVHNYPQCVPDB-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CC/C=C/CC ZINC001132391843 971344789 /nfs/dbraw/zinc/34/47/89/971344789.db2.gz PRVOLHIWQAJCDQ-BQYQJAHWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[NH2+]CCCCCC ZINC001132396016 971344928 /nfs/dbraw/zinc/34/49/28/971344928.db2.gz YKOQLPDSPBCLHH-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C#C[C@H](OCC[NH+](CC)CC)c1ccncc1 ZINC001224932081 974081049 /nfs/dbraw/zinc/08/10/49/974081049.db2.gz UVAUJYZFTLOBIA-AWEZNQCLSA-N 1 0 232.327 2.114 20 30 BEEDRO C=CCCCCC[NH2+]CCNC(=O)[C@H](F)CC ZINC001132438241 971354522 /nfs/dbraw/zinc/35/45/22/971354522.db2.gz YILSIWBCDQEIBH-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCCC1(C)C ZINC001132543168 971371315 /nfs/dbraw/zinc/37/13/15/971371315.db2.gz CTAKGOLLPLTSCV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCOC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)CC)C1 ZINC001257448523 971368125 /nfs/dbraw/zinc/36/81/25/971368125.db2.gz UITHURJZJSHSIM-VXGBXAGGSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@]1(C)C=CCC1 ZINC001132511157 971370169 /nfs/dbraw/zinc/37/01/69/971370169.db2.gz UUTAVLGKVAHDMY-CQSZACIVSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC)CC[C@H]1C ZINC001132571163 971382317 /nfs/dbraw/zinc/38/23/17/971382317.db2.gz ICKRKVHBVALJLK-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CCCCC ZINC001132577130 971385008 /nfs/dbraw/zinc/38/50/08/971385008.db2.gz RPYMDOYYXKMXOS-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H](C)[C@H](C)C=C ZINC001132577324 971385298 /nfs/dbraw/zinc/38/52/98/971385298.db2.gz SSIWQPPCXHHCOK-CHWSQXEVSA-N 1 0 238.375 2.117 20 30 BEEDRO C=CC[NH2+]C[C@H]1CN(C(=O)CCC)CC[C@@H]1C ZINC001132607098 971391061 /nfs/dbraw/zinc/39/10/61/971391061.db2.gz XXBDIPUUJXMLJL-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]CC[C@@H](C)F ZINC001132660158 971394974 /nfs/dbraw/zinc/39/49/74/971394974.db2.gz JQLVOLWKKYFSCI-VXGBXAGGSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CC[C@@H](C)F ZINC001132660155 971395897 /nfs/dbraw/zinc/39/58/97/971395897.db2.gz JQLVOLWKKYFSCI-NEPJUHHUSA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132653539 971398260 /nfs/dbraw/zinc/39/82/60/971398260.db2.gz OENAXYFSOXOIMU-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO CCCCC[C@@H](C)N[C@@H](CS)C(=O)OC ZINC001257501687 971419763 /nfs/dbraw/zinc/41/97/63/971419763.db2.gz KTHSSCFUXLWRQY-ZJUUUORDSA-N 1 0 233.377 2.016 20 30 BEEDRO CC[NH+]1CCC(OCC#C[Si](C)(C)C)CC1 ZINC001224616668 1169577764 /nfs/dbraw/zinc/57/77/64/1169577764.db2.gz WPLWGGZBKQMNEL-UHFFFAOYSA-N 1 0 239.435 2.368 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1ccoc1C1CC1 ZINC001132935000 971424094 /nfs/dbraw/zinc/42/40/94/971424094.db2.gz GSXXDXUWXIZQAF-UHFFFAOYSA-N 1 0 248.326 2.053 20 30 BEEDRO C#CCN1CC[NH+]([C@@H](C)CCCCC)CC1 ZINC001257516477 971435761 /nfs/dbraw/zinc/43/57/61/971435761.db2.gz LBYONGKFOXRKDP-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO C#CCN1CC[NH+]([C@H](C)CCCCC)CC1 ZINC001257516478 971438586 /nfs/dbraw/zinc/43/85/86/971438586.db2.gz LBYONGKFOXRKDP-CQSZACIVSA-N 1 0 222.376 2.206 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCC[C@@H]1C ZINC001133058010 971445787 /nfs/dbraw/zinc/44/57/87/971445787.db2.gz UOIPLFUNNOHNIN-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H]1CCC[C@H](C)C1 ZINC001133062944 971447032 /nfs/dbraw/zinc/44/70/32/971447032.db2.gz RNEXIPXKPIPAJT-STQMWFEESA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CC/C=C\CC ZINC001133143563 971463811 /nfs/dbraw/zinc/46/38/11/971463811.db2.gz ZKUADMUFGLGCRL-ALCCZGGFSA-N 1 0 238.375 2.405 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2cc(F)cc(F)c2C1 ZINC001170673331 971479460 /nfs/dbraw/zinc/47/94/60/971479460.db2.gz MPTKTFNQEHOUKJ-GFCCVEGCSA-N 1 0 235.277 2.435 20 30 BEEDRO CC#CC[C@H](CC)OC[C@@H]1CCC[NH2+]C1 ZINC001217891739 971488769 /nfs/dbraw/zinc/48/87/69/971488769.db2.gz AWSUHZYCGUNBLK-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#C[C@H](CC(C)C)OC[C@H]1CCC[NH2+]C1 ZINC001217893215 971492187 /nfs/dbraw/zinc/49/21/87/971492187.db2.gz XEDJDHIFDBABTF-QWHCGFSZSA-N 1 0 209.333 2.051 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC ZINC001133418587 971517276 /nfs/dbraw/zinc/51/72/76/971517276.db2.gz LPDYIHSBBFQGLX-NXEZZACHSA-N 1 0 232.755 2.022 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]1CC ZINC001133426041 971520576 /nfs/dbraw/zinc/52/05/76/971520576.db2.gz MTDXFGONVPFAOH-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1C[C@@H]2CC(n3ccnc3C(N)=[NH2+])C[C@H](C1)C2 ZINC001257888695 971521558 /nfs/dbraw/zinc/52/15/58/971521558.db2.gz YIZURWQEEOZCMZ-FOSCPWQOSA-N 1 0 244.342 2.475 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]CCOC(C)=O)C[C@H](C1)C2 ZINC001257889913 971522870 /nfs/dbraw/zinc/52/28/70/971522870.db2.gz OALHXELXASVBJZ-PBWFPOADSA-N 1 0 237.343 2.274 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@H]3COC(=O)C3)C[C@H](C1)C2 ZINC001257888330 971523227 /nfs/dbraw/zinc/52/32/27/971523227.db2.gz GTNJXKLBUKWLCF-ZGVCCVRISA-N 1 0 235.327 2.026 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3C[C@@H](O)[C@@H](F)C3)C[C@H](C1)C2 ZINC001257891938 971525544 /nfs/dbraw/zinc/52/55/44/971525544.db2.gz RRFARBWMBGDPTO-PJIALRRASA-N 1 0 239.334 2.136 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H]1CC ZINC001133443057 971527260 /nfs/dbraw/zinc/52/72/60/971527260.db2.gz MIGRNAWSSWPJBP-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CC1 ZINC001133441672 971530175 /nfs/dbraw/zinc/53/01/75/971530175.db2.gz DLIQCAVTVUKNJY-ZJUUUORDSA-N 1 0 244.766 2.022 20 30 BEEDRO C=CCCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C1CC1 ZINC001133447902 971535239 /nfs/dbraw/zinc/53/52/39/971535239.db2.gz HMQDJJJZPYXCMJ-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CC1CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001257913881 971540402 /nfs/dbraw/zinc/54/04/02/971540402.db2.gz LLVIEYQLAYKABK-UHFFFAOYSA-N 1 0 233.355 2.291 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CCCC1 ZINC001133465496 971539040 /nfs/dbraw/zinc/53/90/40/971539040.db2.gz OOVHCLXNDONKNF-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+](C)C3COC3)C[C@H](C1)C2 ZINC001257892832 971525992 /nfs/dbraw/zinc/52/59/92/971525992.db2.gz GSNWFXCAZOLQQQ-FUNVUKJBSA-N 1 0 221.344 2.452 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C1CCC1 ZINC001133455269 971542585 /nfs/dbraw/zinc/54/25/85/971542585.db2.gz BAPDWLCOBSXVOO-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(F)F ZINC001133453520 971543589 /nfs/dbraw/zinc/54/35/89/971543589.db2.gz ZRCDBWZLCBADGJ-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C1CCC1 ZINC001133455267 971543617 /nfs/dbraw/zinc/54/36/17/971543617.db2.gz BAPDWLCOBSXVOO-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(C)F ZINC001133472787 971544420 /nfs/dbraw/zinc/54/44/20/971544420.db2.gz GJOIPJCXFLSTCF-MNOVXSKESA-N 1 0 244.354 2.184 20 30 BEEDRO CC(C)C[NH+]1CCC(NCC2(C#N)CCC2)CC1 ZINC001258001291 971552446 /nfs/dbraw/zinc/55/24/46/971552446.db2.gz IRZXZHBXNTYKQR-UHFFFAOYSA-N 1 0 249.402 2.390 20 30 BEEDRO Cc1ccc(C#N)cc1O[C@@H]1CCCC[NH2+]C1 ZINC001217970140 971553428 /nfs/dbraw/zinc/55/34/28/971553428.db2.gz CMVOQSJGCFFNFA-CYBMUJFWSA-N 1 0 230.311 2.388 20 30 BEEDRO Cc1ccc(C#N)c(O[C@@H]2CCCC[NH2+]C2)c1 ZINC001217970816 971554574 /nfs/dbraw/zinc/55/45/74/971554574.db2.gz ITQROSCUVJSROS-CYBMUJFWSA-N 1 0 230.311 2.388 20 30 BEEDRO C#CCC[NH2+]C1CCC(CC(=O)OCC)CC1 ZINC001258023116 971558902 /nfs/dbraw/zinc/55/89/02/971558902.db2.gz SRQIUVWRKDILGR-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO Cc1cccc(C#N)c1O[C@@H]1C[NH2+]CCC[C@@H]1F ZINC001217981378 971559492 /nfs/dbraw/zinc/55/94/92/971559492.db2.gz PIZKKNTYJWMELD-QWHCGFSZSA-N 1 0 248.301 2.336 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C1(CO)COC1 ZINC001258039603 971560846 /nfs/dbraw/zinc/56/08/46/971560846.db2.gz UOAAVUKEMIJJKM-GFCCVEGCSA-N 1 0 229.364 2.086 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCC(C)(C)C1 ZINC001133528692 971562497 /nfs/dbraw/zinc/56/24/97/971562497.db2.gz KMIIOINCSFLHIR-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1(C)CC(=C)C1 ZINC001133564588 971567416 /nfs/dbraw/zinc/56/74/16/971567416.db2.gz USUYLEGHHPXOSG-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)C1(C(C)C)CC1 ZINC001133560931 971568431 /nfs/dbraw/zinc/56/84/31/971568431.db2.gz BMBRVIVDWLKDTH-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C1CC(C)(C(=O)NCC[NH2+]CC=C(C)C)C1 ZINC001133564729 971568583 /nfs/dbraw/zinc/56/85/83/971568583.db2.gz WLZOVVFDWQPNSL-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C=C(C)C ZINC001133582988 971570239 /nfs/dbraw/zinc/57/02/39/971570239.db2.gz YAACLCSYLUKAQS-CHWSQXEVSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)c1ccc[nH]1 ZINC001133661784 971587798 /nfs/dbraw/zinc/58/77/98/971587798.db2.gz DUMFLSPXYORJHS-RYUDHWBXSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CCc1ccc(O)c(O[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC001218043774 971588476 /nfs/dbraw/zinc/58/84/76/971588476.db2.gz MKGFXWWIENWXBD-IAQYHMDHSA-N 1 0 247.338 2.498 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133764733 971595755 /nfs/dbraw/zinc/59/57/55/971595755.db2.gz KXRMSMQVBZQNPG-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)C ZINC001133764687 971597817 /nfs/dbraw/zinc/59/78/17/971597817.db2.gz KFXUUYCEUKDCGV-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO CC#CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCCC ZINC001133769983 971599818 /nfs/dbraw/zinc/59/98/18/971599818.db2.gz WQNFZAPTYORUPR-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO CC#CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCC ZINC001133769984 971600472 /nfs/dbraw/zinc/60/04/72/971600472.db2.gz WQNFZAPTYORUPR-STQMWFEESA-N 1 0 238.375 2.073 20 30 BEEDRO CC(=O)c1cc(C#N)ccc1O[C@@H](C)C[NH+](C)C ZINC001226975055 1169616522 /nfs/dbraw/zinc/61/65/22/1169616522.db2.gz MPSDWVYBGWEAGT-JTQLQIEISA-N 1 0 246.310 2.090 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)/C(C)=C\CC ZINC001133841021 971606832 /nfs/dbraw/zinc/60/68/32/971606832.db2.gz RXOSJBVSIWFHNK-FUTHCOOYSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]C(C)C ZINC001133888822 971614770 /nfs/dbraw/zinc/61/47/70/971614770.db2.gz NBZNGRGXSJNUBC-NWDGAFQWSA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC1CC1 ZINC001133888242 971615637 /nfs/dbraw/zinc/61/56/37/971615637.db2.gz HCISTPCRVQEFJY-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc(F)c1C ZINC001218206160 971626307 /nfs/dbraw/zinc/62/63/07/971626307.db2.gz ZTUNYESIUNQNQM-ZDUSSCGKSA-N 1 0 221.275 2.431 20 30 BEEDRO CCc1cccc(CC)c1O[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001218201478 971626372 /nfs/dbraw/zinc/62/63/72/971626372.db2.gz RQEWDBSGHMDNFP-UONOGXRCSA-N 1 0 244.338 2.302 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)cc(F)c1 ZINC001218206135 971626869 /nfs/dbraw/zinc/62/68/69/971626869.db2.gz JANBPLGWGLEBIJ-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cc(C)c(C#N)c(C)c1 ZINC001218203902 971627566 /nfs/dbraw/zinc/62/75/66/971627566.db2.gz JYAJLBSVJDYDSX-HNNXBMFYSA-N 1 0 242.322 2.472 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(C)c(F)c1 ZINC001218204584 971628015 /nfs/dbraw/zinc/62/80/15/971628015.db2.gz RCGOUXBBPQLJIC-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)c(Cl)cn1 ZINC001218207347 971628194 /nfs/dbraw/zinc/62/81/94/971628194.db2.gz PQCRTBGWIOPEQS-LLVKDONJSA-N 1 0 238.718 2.340 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc2c1ccn2C ZINC001218208245 971631870 /nfs/dbraw/zinc/63/18/70/971631870.db2.gz YXMRCLKCCZBFPR-HNNXBMFYSA-N 1 0 242.322 2.475 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1Oc1cccc(OCC)c1 ZINC001218209420 971631557 /nfs/dbraw/zinc/63/15/57/971631557.db2.gz YCPAVCZPMSQUCL-AWEZNQCLSA-N 1 0 233.311 2.382 20 30 BEEDRO C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCCC)C1 ZINC001330565571 974318733 /nfs/dbraw/zinc/31/87/33/974318733.db2.gz OWFAFDCWDDLCCA-JOCQHMNTSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)/C(C)=C/CC)C1 ZINC001330571446 974324424 /nfs/dbraw/zinc/32/44/24/974324424.db2.gz ZODRTDVICXJPGD-XXVYOGPQSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CCC1 ZINC001134026702 971650482 /nfs/dbraw/zinc/65/04/82/971650482.db2.gz RXNKWEOXEIDIMJ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C=C1CCC1 ZINC001134108355 971667269 /nfs/dbraw/zinc/66/72/69/971667269.db2.gz ASBWUJCJPPARIV-NEPJUHHUSA-N 1 0 236.359 2.156 20 30 BEEDRO N#Cc1cccc(O[C@H]2CCC[NH2+]C2)c1Cl ZINC001218283052 971675328 /nfs/dbraw/zinc/67/53/28/971675328.db2.gz BGWRBMXKNGVUBQ-JTQLQIEISA-N 1 0 236.702 2.342 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)C1=CCCC1 ZINC001134118570 971670148 /nfs/dbraw/zinc/67/01/48/971670148.db2.gz FIFAJYFGVYRXHG-NEPJUHHUSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)C1=CCCC1 ZINC001134118572 971671289 /nfs/dbraw/zinc/67/12/89/971671289.db2.gz FIFAJYFGVYRXHG-RYUDHWBXSA-N 1 0 236.359 2.156 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1=CCCC1 ZINC001134118571 971671773 /nfs/dbraw/zinc/67/17/73/971671773.db2.gz FIFAJYFGVYRXHG-NWDGAFQWSA-N 1 0 236.359 2.156 20 30 BEEDRO Cc1cc(O[C@H]2CCC[NH2+]C2)c(C)cc1C#N ZINC001218283233 971676365 /nfs/dbraw/zinc/67/63/65/971676365.db2.gz JQQHNJAXLRJGEF-ZDUSSCGKSA-N 1 0 230.311 2.306 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CCC ZINC001134250922 971688618 /nfs/dbraw/zinc/68/86/18/971688618.db2.gz CFISLGZOQHYWPL-OLZOCXBDSA-N 1 0 238.375 2.073 20 30 BEEDRO C#CC[C@@H](C)Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218317368 971705954 /nfs/dbraw/zinc/70/59/54/971705954.db2.gz MGMQSQOFFMEIQR-LLVKDONJSA-N 1 0 229.323 2.431 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC1CCC1 ZINC001134412149 971721184 /nfs/dbraw/zinc/72/11/84/971721184.db2.gz WOODPABWJUIGAQ-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1cc[nH]c1 ZINC001134427364 971722767 /nfs/dbraw/zinc/72/27/67/971722767.db2.gz OKHTYFFEJFMCDM-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C#C[C@@H](CC(C)C)Oc1cc(N)ccn1 ZINC001218355753 971727243 /nfs/dbraw/zinc/72/72/43/971727243.db2.gz LVCMNJPDELHVCI-NSHDSACASA-N 1 0 204.273 2.091 20 30 BEEDRO C#C[C@H](CC(C)C)Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218354673 971724558 /nfs/dbraw/zinc/72/45/58/971724558.db2.gz CNRUIYMPNJRKQA-CYBMUJFWSA-N 1 0 244.338 2.154 20 30 BEEDRO C#C[C@@H](CCCC)Oc1ccc2c(n1)CC[NH2+]C2 ZINC001218353535 971725562 /nfs/dbraw/zinc/72/55/62/971725562.db2.gz IRTQROKRHPKFJQ-ZDUSSCGKSA-N 1 0 244.338 2.298 20 30 BEEDRO C=C1O[C@H](CC)C(=O)C1Oc1cccc(C[NH3+])c1 ZINC001218354809 971726291 /nfs/dbraw/zinc/72/62/91/971726291.db2.gz YJSRONAFOVOATC-GFCCVEGCSA-N 1 0 247.294 2.134 20 30 BEEDRO C=C(C)n1c2ccccc2nc1O[C@H]1C[NH2+][C@H]1C ZINC001218383335 971762066 /nfs/dbraw/zinc/76/20/66/971762066.db2.gz NGUXZDRQPSSWBJ-GWCFXTLKSA-N 1 0 243.310 2.266 20 30 BEEDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc2ccc(C#N)cc2c1 ZINC001218384947 971764672 /nfs/dbraw/zinc/76/46/72/971764672.db2.gz JYGHSYRBSOCURB-ZUZCIYMTSA-N 1 0 238.290 2.451 20 30 BEEDRO C=CCc1ccccc1O[C@H]1C[NH2+][C@@H]1C ZINC001218389619 971770717 /nfs/dbraw/zinc/77/07/17/971770717.db2.gz WDMHVCOLJYIISN-MFKMUULPSA-N 1 0 203.285 2.154 20 30 BEEDRO C#C[C@@H](Oc1cccc(C[NH3+])c1)c1ccncc1 ZINC001218416285 971788154 /nfs/dbraw/zinc/78/81/54/971788154.db2.gz HCUKMAOCLUVFDQ-OAHLLOKOSA-N 1 0 238.290 2.294 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@H](C)CCCCC ZINC001134824740 971794570 /nfs/dbraw/zinc/79/45/70/971794570.db2.gz ULRCDHPWSSQZGH-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000309742195 971822677 /nfs/dbraw/zinc/82/26/77/971822677.db2.gz DNGNIGRDPATTLU-SECBINFHSA-N 1 0 219.263 2.138 20 30 BEEDRO C#C[C@@H](Oc1cccc2c1CC[NH2+]C2)C(C)C ZINC001218440524 971820255 /nfs/dbraw/zinc/82/02/55/971820255.db2.gz LSEQOKABCYHECK-CQSZACIVSA-N 1 0 229.323 2.369 20 30 BEEDRO C=CC[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301434 974514308 /nfs/dbraw/zinc/51/43/08/974514308.db2.gz OOFYKQPHJJEJLW-LLVKDONJSA-N 1 0 200.285 2.265 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCCF ZINC001135203522 971847284 /nfs/dbraw/zinc/84/72/84/971847284.db2.gz OCVHNLCBCZQXEZ-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)CCCF ZINC001135202144 971847355 /nfs/dbraw/zinc/84/73/55/971847355.db2.gz BJCSKXKREUMZIB-RYUDHWBXSA-N 1 0 244.354 2.185 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001172325268 974535674 /nfs/dbraw/zinc/53/56/74/974535674.db2.gz SNQGRHKAJCEOGY-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C#Cc1cccc(CN2CCC([NH+](C)C)CC2)c1 ZINC001231657095 1169678481 /nfs/dbraw/zinc/67/84/81/1169678481.db2.gz XLCHNIGFWOVQDQ-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C#CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C/C=C(\C)C=C ZINC001135244345 971854629 /nfs/dbraw/zinc/85/46/29/971854629.db2.gz ZVLFODZOBZHAAY-DXIMFJFMSA-N 1 0 248.370 2.015 20 30 BEEDRO N#CCC1([NH2+][C@H]2CCCOCC2)CCCC1 ZINC001170806194 971856927 /nfs/dbraw/zinc/85/69/27/971856927.db2.gz YJIYDLOWTSGSEG-LBPRGKRZSA-N 1 0 222.332 2.372 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c1 ZINC001231657888 1169678689 /nfs/dbraw/zinc/67/86/89/1169678689.db2.gz NXXFTXFZHZWZNR-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#CC1CC[NH+](CCC(F)(F)F)CC1 ZINC000830326437 971864696 /nfs/dbraw/zinc/86/46/96/971864696.db2.gz OXJBCYAIVONSRF-UHFFFAOYSA-N 1 0 205.223 2.284 20 30 BEEDRO N#CCc1cc(NCOc2ccccc2)cc[nH+]1 ZINC001170808845 971869770 /nfs/dbraw/zinc/86/97/70/971869770.db2.gz AUPUIPCSRGQCCF-UHFFFAOYSA-N 1 0 239.278 2.018 20 30 BEEDRO C=CCCC(=O)N1CCC([N@@H+](C)C(C)C)CC1 ZINC001331001918 974553044 /nfs/dbraw/zinc/55/30/44/974553044.db2.gz UTQPNKKUGCAOJP-UHFFFAOYSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@H](C)NC(=O)CC(C)(F)F ZINC001135402592 971890049 /nfs/dbraw/zinc/89/00/49/971890049.db2.gz OPZDRIQZGWSEHS-UWVGGRQHSA-N 1 0 248.317 2.091 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cc(C#N)ccn2)C2(CC2)C1 ZINC001232480156 1169683870 /nfs/dbraw/zinc/68/38/70/1169683870.db2.gz LSTPPCROLDVNRU-LLVKDONJSA-N 1 0 227.311 2.328 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCCCC(C)C ZINC001135501265 971903484 /nfs/dbraw/zinc/90/34/84/971903484.db2.gz PNLVOYGOCVMUTH-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCOCC1 ZINC001170832360 971942464 /nfs/dbraw/zinc/94/24/64/971942464.db2.gz XSZJYGKCHDVSKE-SYQHCUMBSA-N 1 0 234.343 2.322 20 30 BEEDRO CCC[N@H+](CC)CCNc1ccnc(C#N)c1 ZINC000218061502 971955397 /nfs/dbraw/zinc/95/53/97/971955397.db2.gz LRKDLKIUQSTNCX-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)CC(C)C)CC1 ZINC001331097532 974601814 /nfs/dbraw/zinc/60/18/14/974601814.db2.gz HILVFQBEIVDCCU-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](C)[C@H](C)CC ZINC001135863375 971982497 /nfs/dbraw/zinc/98/24/97/971982497.db2.gz HGBGOEQTEHFSCI-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO Nc1ccc2c(c1)C(=[NH+]NC1CC1)CCCC2 ZINC000817325680 971983262 /nfs/dbraw/zinc/98/32/62/971983262.db2.gz FFEPICFMJPNZNR-UHFFFAOYSA-N 1 0 229.327 2.451 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@H](C)[C@H](C)CC ZINC001135859344 971983542 /nfs/dbraw/zinc/98/35/42/971983542.db2.gz PYBWGUUKLNSEJU-MWLCHTKSSA-N 1 0 246.782 2.127 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H](C)CC(C)C ZINC001135874844 971987353 /nfs/dbraw/zinc/98/73/53/971987353.db2.gz KPOPEXHMDFFOEM-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)[C@@H](CC)CCC ZINC001135875210 971988426 /nfs/dbraw/zinc/98/84/26/971988426.db2.gz SBRIOIGHGMCKNA-NSHDSACASA-N 1 0 246.782 2.271 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](CC)CCC ZINC001135878371 971988708 /nfs/dbraw/zinc/98/87/08/971988708.db2.gz RNFHNMTWYHHIQL-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H](C)CCO[C@H](C)CC ZINC001172346494 974614164 /nfs/dbraw/zinc/61/41/64/974614164.db2.gz JGGKPKUOMQEOIY-UONOGXRCSA-N 1 0 221.344 2.149 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001135988633 972017526 /nfs/dbraw/zinc/01/75/26/972017526.db2.gz OOWNBJCZQWBKMF-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@@H]1C[C@@]1(C)CC ZINC001136100998 972033824 /nfs/dbraw/zinc/03/38/24/972033824.db2.gz WSYBLOFKPONEKY-GXTWGEPZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCc1cc(C)cnc1NCC[C@@H](C)[NH3+] ZINC001170889367 972035941 /nfs/dbraw/zinc/03/59/41/972035941.db2.gz OHFAENQQLKWMHL-LLVKDONJSA-N 1 0 219.332 2.268 20 30 BEEDRO C[C@@H]([NH3+])CCNc1ccc(C#N)c2[nH]ccc21 ZINC001170890036 972039103 /nfs/dbraw/zinc/03/91/03/972039103.db2.gz BKBHIIXHOQUNTC-SECBINFHSA-N 1 0 228.299 2.189 20 30 BEEDRO N#CCCC[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000819221025 972092904 /nfs/dbraw/zinc/09/29/04/972092904.db2.gz HEKLIVQMNKKYMS-LBPRGKRZSA-N 1 0 238.718 2.267 20 30 BEEDRO C=CCCCCCCCCC(=O)NCC[NH3+] ZINC001219868005 972097246 /nfs/dbraw/zinc/09/72/46/972097246.db2.gz WPYRCEMXBQCHAF-UHFFFAOYSA-N 1 0 226.364 2.368 20 30 BEEDRO CC#CCCCCCCCC(=O)NCC[NH2+]C ZINC001220054831 972145913 /nfs/dbraw/zinc/14/59/13/972145913.db2.gz ULOLIRCLTYJCGZ-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCc2cccc(F)c2C1 ZINC001170999068 972223037 /nfs/dbraw/zinc/22/30/37/972223037.db2.gz AOVMXNPUAZPNBV-LBPRGKRZSA-N 1 0 217.287 2.248 20 30 BEEDRO C=C[C@@H](C)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710931211 956955209 /nfs/dbraw/zinc/95/52/09/956955209.db2.gz ZXODVQQMDSBFRK-SNVBAGLBSA-N 1 0 240.347 2.017 20 30 BEEDRO C=C1CCC(CNC(=O)CC[NH2+]C(C)C)CC1 ZINC000724464192 956978017 /nfs/dbraw/zinc/97/80/17/956978017.db2.gz HXFUATJIQQFYCZ-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CC[C@@H](C)SC)C1 ZINC001208146313 957016481 /nfs/dbraw/zinc/01/64/81/957016481.db2.gz DVYUEPNHHGLBLF-NEPJUHHUSA-N 1 0 211.374 2.473 20 30 BEEDRO CS[C@H](C)CC[N@@H+]1CCC[C@H](C#N)C1 ZINC001208148382 957023484 /nfs/dbraw/zinc/02/34/84/957023484.db2.gz RUVNHXDBBHCJFE-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO C#CC1CC[NH+](CC[C@@H](C)SC)CC1 ZINC001208152198 957037242 /nfs/dbraw/zinc/03/72/42/957037242.db2.gz FLDPZJZNPRMVHA-LLVKDONJSA-N 1 0 211.374 2.473 20 30 BEEDRO CCC#C[C@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC001167062469 957039657 /nfs/dbraw/zinc/03/96/57/957039657.db2.gz KKBIMBWBMXTXSF-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](C)C[C@@H](C)CC ZINC001480868684 957169749 /nfs/dbraw/zinc/16/97/49/957169749.db2.gz GCLZZCGJLFROEO-ZDUSSCGKSA-N 1 0 240.391 2.437 20 30 BEEDRO SC1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC001208880862 957198266 /nfs/dbraw/zinc/19/82/66/957198266.db2.gz QEMNCBJLCIRNRK-JTQLQIEISA-N 1 0 213.346 2.073 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001266315265 957206107 /nfs/dbraw/zinc/20/61/07/957206107.db2.gz RWHFZFREFFZYGX-XLVZXTRVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C[C@H](C)CC)C1 ZINC001266316312 957206183 /nfs/dbraw/zinc/20/61/83/957206183.db2.gz AEVLEMYRVFSLPU-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC)C1 ZINC001266320729 957232099 /nfs/dbraw/zinc/23/20/99/957232099.db2.gz FCRSLYQREGRJIR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+]1[C@@H]2CC[C@H]1CC(C)C2 ZINC000692984196 957233368 /nfs/dbraw/zinc/23/33/68/957233368.db2.gz YELRHKBWUJITKW-FOIKRFTLSA-N 1 0 222.332 2.178 20 30 BEEDRO C#CCSCC[NH2+]C1CCC(COC)CC1 ZINC000823904676 972258312 /nfs/dbraw/zinc/25/83/12/972258312.db2.gz LNZNNODIDLCDJV-UHFFFAOYSA-N 1 0 241.400 2.148 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@]2(CCCC(=O)N2)C1 ZINC001209160819 957337894 /nfs/dbraw/zinc/33/78/94/957337894.db2.gz CSLLSCALGYFIGZ-CQSZACIVSA-N 1 0 236.359 2.087 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001209160328 957338659 /nfs/dbraw/zinc/33/86/59/957338659.db2.gz QLMKVZWEJDFWGO-VXGBXAGGSA-N 1 0 225.332 2.084 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H]1C(C)(C)OC ZINC001209265864 957370313 /nfs/dbraw/zinc/37/03/13/957370313.db2.gz CITUCCXJRAFJJN-LBPRGKRZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H]1CCOC ZINC001209265703 957372557 /nfs/dbraw/zinc/37/25/57/957372557.db2.gz DOUCFKLIOZSJII-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CCC[C@@H](C#N)CC1 ZINC001209408879 957416788 /nfs/dbraw/zinc/41/67/88/957416788.db2.gz CFFFXARRDDRWAE-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1C[C@H]1C[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001209422191 957431987 /nfs/dbraw/zinc/43/19/87/957431987.db2.gz SQGJQEFWDYXAOM-LBELIVKGSA-N 1 0 204.317 2.409 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001209432869 957463331 /nfs/dbraw/zinc/46/33/31/957463331.db2.gz LORVZLDOTQUYAK-STQMWFEESA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)/C(C)=C/CC)C1CC1 ZINC001266398322 957464269 /nfs/dbraw/zinc/46/42/69/957464269.db2.gz QHIMUBAPIDWXPX-ASJRZHAZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCCCCCCC[N@H+]1CCC[C@H]1C(N)=O ZINC001209438335 957471988 /nfs/dbraw/zinc/47/19/88/957471988.db2.gz KBKUSAVMRYWVLC-ZDUSSCGKSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCCCCCCCC[N@@H+](C)C[C@@H](O)CO ZINC001209443603 957475655 /nfs/dbraw/zinc/47/56/55/957475655.db2.gz WSTUJRHJXLOVPX-CQSZACIVSA-N 1 0 243.391 2.188 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H](CC)CN)C[C@H](C1)C2 ZINC001246309739 972269870 /nfs/dbraw/zinc/26/98/70/972269870.db2.gz AAPCEWVUSTXTPM-WJLOJVBCSA-N 1 0 222.376 2.448 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)CC ZINC001266457882 957594585 /nfs/dbraw/zinc/59/45/85/957594585.db2.gz OECXYIKAEPSHNX-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc2c1OCC2 ZINC000693067572 957645348 /nfs/dbraw/zinc/64/53/48/957645348.db2.gz QDDHIOPVUSXVBC-CQSZACIVSA-N 1 0 247.338 2.038 20 30 BEEDRO CCc1cc(Nc2cnc(C#N)c(C)c2)cc[nH+]1 ZINC001210202612 957668952 /nfs/dbraw/zinc/66/89/52/957668952.db2.gz YFJDNIZYTSDPPZ-UHFFFAOYSA-N 1 0 238.294 2.385 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000693107772 957681992 /nfs/dbraw/zinc/68/19/92/957681992.db2.gz XYQWZYOKTDDDCY-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO CCCCCCCCC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000316534006 972285236 /nfs/dbraw/zinc/28/52/36/972285236.db2.gz QBWHPRILUTZCSP-KBPBESRZSA-N 1 0 243.391 2.022 20 30 BEEDRO Cc1cccn2c(CN3CCC[C@H]3C#N)cnc12 ZINC001136958395 972306212 /nfs/dbraw/zinc/30/62/12/972306212.db2.gz PPMGWWDSOCIVKW-LBPRGKRZSA-N 1 0 240.310 2.131 20 30 BEEDRO Cc1csc(Nc2c[nH+]cn2C)c1C#N ZINC001211245635 958104214 /nfs/dbraw/zinc/10/42/14/958104214.db2.gz OJCLIPJBCLADPF-UHFFFAOYSA-N 1 0 218.285 2.405 20 30 BEEDRO COc1cc(C#N)c(F)cc1Nc1c[nH+]cn1C ZINC001211251712 958118011 /nfs/dbraw/zinc/11/80/11/958118011.db2.gz MTQQHWWLLHRIRG-UHFFFAOYSA-N 1 0 246.245 2.183 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C(F)=C1CCCC1 ZINC001266673385 958218416 /nfs/dbraw/zinc/21/84/16/958218416.db2.gz LPVULHPBVSRFBB-UHFFFAOYSA-N 1 0 240.322 2.018 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1CCCc2ncccc21 ZINC001348560949 958425422 /nfs/dbraw/zinc/42/54/22/958425422.db2.gz PULRLJXBCJPYNK-BXUZGUMPSA-N 1 0 232.327 2.250 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000692327231 958519680 /nfs/dbraw/zinc/51/96/80/958519680.db2.gz DNOXWAMPMRYPGM-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO COC1(C[NH2+]Cc2ccc(CC#N)cc2)CCC1 ZINC000399143984 958537159 /nfs/dbraw/zinc/53/71/59/958537159.db2.gz VYHHZTLGOJJZCC-UHFFFAOYSA-N 1 0 244.338 2.411 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC)C1 ZINC001266888173 958549034 /nfs/dbraw/zinc/54/90/34/958549034.db2.gz BYTPNDFSDQFDAW-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)/C=C/C(C)(C)C ZINC001266927272 958604206 /nfs/dbraw/zinc/60/42/06/958604206.db2.gz JJDFLPZLFRBLSK-GUOLPTJISA-N 1 0 238.375 2.259 20 30 BEEDRO N#Cc1cncc(C[N@H+]2CCC[C@H](F)CC2)c1 ZINC001144074317 972546670 /nfs/dbraw/zinc/54/66/70/972546670.db2.gz HURBVVXYDQWVIU-ZDUSSCGKSA-N 1 0 233.290 2.277 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)CC ZINC001266931666 958611288 /nfs/dbraw/zinc/61/12/88/958611288.db2.gz BVYQVJCAOOXSKQ-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CC1CC1 ZINC001480906758 958663632 /nfs/dbraw/zinc/66/36/32/958663632.db2.gz GJUBBOXHICKQNQ-CQSZACIVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC1CC[NH+](CCC(=O)OC(C)(C)C)CC1 ZINC000692359295 958670797 /nfs/dbraw/zinc/67/07/97/958670797.db2.gz OOMPIVPLGHLWDM-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CCCCC(=O)NC[C@H](C)[NH2+]CC(=C)C ZINC001266967071 958675168 /nfs/dbraw/zinc/67/51/68/958675168.db2.gz HBTGHWMZXRMLJX-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CC1CC[NH+]([C@@H](CCC)C(=O)OCC)CC1 ZINC000692359978 958675982 /nfs/dbraw/zinc/67/59/82/958675982.db2.gz XRYHYVJWWQLTRI-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO C=C1CCC(C(=O)NC[C@@H](C)[NH2+]C(C)C)CC1 ZINC001266967285 958679237 /nfs/dbraw/zinc/67/92/37/958679237.db2.gz DPGQJJINBWCUOQ-GFCCVEGCSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CCC(C(=O)NC[C@H](C)[NH2+]C(C)C)CC1 ZINC001266967286 958679722 /nfs/dbraw/zinc/67/97/22/958679722.db2.gz DPGQJJINBWCUOQ-LBPRGKRZSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001267008218 958728323 /nfs/dbraw/zinc/72/83/23/958728323.db2.gz GMVCJTFUCXGTBH-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO N#Cc1cc(-c2[nH+]ccc3c2CCN3)ccc1O ZINC001242563121 1169757686 /nfs/dbraw/zinc/75/76/86/1169757686.db2.gz SGQBJUIMBZYTRZ-UHFFFAOYSA-N 1 0 237.262 2.294 20 30 BEEDRO CNc1cc(Nc2cnc(C#N)c(C)c2)cc[nH+]1 ZINC001216334448 958849605 /nfs/dbraw/zinc/84/96/05/958849605.db2.gz VOGOENKCHYWHJH-UHFFFAOYSA-N 1 0 239.282 2.442 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCNC(=O)CC ZINC001267117375 958894724 /nfs/dbraw/zinc/89/47/24/958894724.db2.gz RZIOADZCBRFGIO-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)/C(C)=C/CC ZINC001267123070 958916366 /nfs/dbraw/zinc/91/63/66/958916366.db2.gz TUTFCMIBNPWXTO-YTRUQHMWSA-N 1 0 224.348 2.013 20 30 BEEDRO Cc1c(Cl)cnc(-n2cccc2C[NH3+])c1C#N ZINC001167586297 958965555 /nfs/dbraw/zinc/96/55/55/958965555.db2.gz LUZRKYPIDXGPRB-UHFFFAOYSA-N 1 0 246.701 2.165 20 30 BEEDRO C=CCCC[NH+]1CCC(CNC(=O)CC)CC1 ZINC001222203345 972406386 /nfs/dbraw/zinc/40/63/86/972406386.db2.gz RPTOXIDKIZZCAD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C[C@@H](C)C1CC1 ZINC001267232144 959246390 /nfs/dbraw/zinc/24/63/90/959246390.db2.gz ALXORXOIUXGTEH-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)C(C)(F)F ZINC001267309557 959405163 /nfs/dbraw/zinc/40/51/63/959405163.db2.gz ORFDNRHITITPKA-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO N#Cc1ccc(-c2ccc3c(c2)C[NH2+]CC3)c(N)c1 ZINC001244084078 1169767607 /nfs/dbraw/zinc/76/76/07/1169767607.db2.gz KPWXLNCWOCALFX-UHFFFAOYSA-N 1 0 249.317 2.453 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2cccc(C#N)c2)CO[C@H]1C ZINC000405576864 959464970 /nfs/dbraw/zinc/46/49/70/959464970.db2.gz FTGKHMJWOHFHLA-MJVIPROJSA-N 1 0 230.311 2.071 20 30 BEEDRO CCCCCCCCN1CCC12C[NH2+]C2 ZINC001222303377 972436932 /nfs/dbraw/zinc/43/69/32/972436932.db2.gz IRQAVNCBTCYATM-UHFFFAOYSA-N 1 0 210.365 2.395 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)CC#N)CCO1 ZINC000308881505 959538091 /nfs/dbraw/zinc/53/80/91/959538091.db2.gz UNQXQKPOROWQSE-GRYCIOLGSA-N 1 0 210.321 2.082 20 30 BEEDRO N#CC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000693970970 959623439 /nfs/dbraw/zinc/62/34/39/959623439.db2.gz XAPCMVHPWFFLII-UHFFFAOYSA-N 1 0 215.300 2.004 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724835824 959801939 /nfs/dbraw/zinc/80/19/39/959801939.db2.gz SXGPZNGXXGKTJJ-HUUCEWRRSA-N 1 0 242.322 2.169 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CCC)C1 ZINC001267550424 959846081 /nfs/dbraw/zinc/84/60/81/959846081.db2.gz WTZJLZNHZCHGRK-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH+]1CCC(CNC(=O)[C@@H](C)CC)CC1 ZINC001222404929 972463351 /nfs/dbraw/zinc/46/33/51/972463351.db2.gz RPDVYRRDSRKDDQ-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CC1CC([N@H+](C)Cc2cncc(C#N)c2)C1 ZINC001144074397 972546981 /nfs/dbraw/zinc/54/69/81/972546981.db2.gz LQFSWBQOZFQIMZ-UHFFFAOYSA-N 1 0 215.300 2.184 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1ccc(F)cc1C ZINC001218204029 959890974 /nfs/dbraw/zinc/89/09/74/959890974.db2.gz LHHGRONEQBERKF-CYBMUJFWSA-N 1 0 221.275 2.431 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(N(CC)CC)cc1O ZINC001140856134 959988734 /nfs/dbraw/zinc/98/87/34/959988734.db2.gz RBAAZGAOQOYHAU-UHFFFAOYSA-N 1 0 246.354 2.303 20 30 BEEDRO C=CCc1cccc(O[C@@H]2C[NH2+][C@@H]2C)c1 ZINC001218384017 960024610 /nfs/dbraw/zinc/02/46/10/960024610.db2.gz BQGOYVNQWGGKTK-ZWNOBZJWSA-N 1 0 203.285 2.154 20 30 BEEDRO C=C/C(C)=C\CC(=O)NCC1C[NH+](CC(=C)C)C1 ZINC001267687943 960202063 /nfs/dbraw/zinc/20/20/63/960202063.db2.gz SLGXXXIZSGDXAM-MLPAPPSSSA-N 1 0 248.370 2.133 20 30 BEEDRO N#Cc1ccccc1CN1CCCC[C@@H](C[NH3+])C1 ZINC000311182543 960218781 /nfs/dbraw/zinc/21/87/81/960218781.db2.gz ZJLUVPHHQMELIY-ZDUSSCGKSA-N 1 0 243.354 2.119 20 30 BEEDRO C=CC[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)C(C)C)C1 ZINC001144018897 972490061 /nfs/dbraw/zinc/49/00/61/972490061.db2.gz VUVWZSLSMVZPRL-CHWSQXEVSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001267737929 960257344 /nfs/dbraw/zinc/25/73/44/960257344.db2.gz JGBZDBPDQIBYNG-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]Cc1ccc(OCOCC)cc1 ZINC000309961492 960315263 /nfs/dbraw/zinc/31/52/63/960315263.db2.gz LJIPOCZNNYHCEX-UHFFFAOYSA-N 1 0 221.300 2.335 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](N(CC)C(=O)C(C)C)C1 ZINC001267780175 960345603 /nfs/dbraw/zinc/34/56/03/960345603.db2.gz JSODYCHIYIRCTR-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC001481268471 960364448 /nfs/dbraw/zinc/36/44/48/960364448.db2.gz XUEZQRYOWDNWCS-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)CCC(=O)NC[C@@H](CC)[NH2+]CCC ZINC001267807765 960386406 /nfs/dbraw/zinc/38/64/06/960386406.db2.gz CZXPGDBQWAVXML-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695776330 960451943 /nfs/dbraw/zinc/45/19/43/960451943.db2.gz CTLMXBZSWSXWRJ-NEPJUHHUSA-N 1 0 226.364 2.455 20 30 BEEDRO CCN(CC)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695779530 960455223 /nfs/dbraw/zinc/45/52/23/960455223.db2.gz QATQMYDTLYLXDJ-GFCCVEGCSA-N 1 0 225.380 2.246 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)CC[NH2+]C(C)C ZINC001481276954 960460705 /nfs/dbraw/zinc/46/07/05/960460705.db2.gz IMAIMPCKIKRJCX-ZDUSSCGKSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC001140621052 960467594 /nfs/dbraw/zinc/46/75/94/960467594.db2.gz NDRGJEQVNVCGCV-UHFFFAOYSA-N 1 0 246.354 2.004 20 30 BEEDRO C=CC[NH2+]C1CCC(NC(=O)C2CC=CC2)CC1 ZINC001026468567 960483941 /nfs/dbraw/zinc/48/39/41/960483941.db2.gz GBMCBOBETWQVNL-UHFFFAOYSA-N 1 0 248.370 2.156 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CO)CCCC1 ZINC000695835067 960498275 /nfs/dbraw/zinc/49/82/75/960498275.db2.gz GLKJSKDVDQDRGR-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC(C)(C)CO ZINC000695844178 960511044 /nfs/dbraw/zinc/51/10/44/960511044.db2.gz UVZJZGBCHYHPDM-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@H](C)O ZINC000695859768 960529752 /nfs/dbraw/zinc/52/97/52/960529752.db2.gz RUIZJWJHAFBWJQ-VWYCJHECSA-N 1 0 212.337 2.064 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695885431 960566571 /nfs/dbraw/zinc/56/65/71/960566571.db2.gz ILJXQFCVGASKKU-NWDGAFQWSA-N 1 0 224.348 2.231 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1COC(C)(C)C1 ZINC000695890991 960571263 /nfs/dbraw/zinc/57/12/63/960571263.db2.gz KQIOHNGTCUQYTF-WDEREUQCSA-N 1 0 224.348 2.472 20 30 BEEDRO C#C[C@@H](OC1CC[NH+](C)CC1)c1ccccc1 ZINC001222503959 960664307 /nfs/dbraw/zinc/66/43/07/960664307.db2.gz LFFXDUYXVIXPSC-OAHLLOKOSA-N 1 0 229.323 2.472 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)c1cnn(C)n1 ZINC000925702596 960702282 /nfs/dbraw/zinc/70/22/82/960702282.db2.gz OWDBAQRGSRRWRQ-LLVKDONJSA-N 1 0 224.352 2.436 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)C[NH2+]C(C)C ZINC001268001393 960705163 /nfs/dbraw/zinc/70/51/63/960705163.db2.gz AZZRLCUUOHQKFA-TZMCWYRMSA-N 1 0 240.391 2.339 20 30 BEEDRO Cc1cc(CN(C)Cc2cccc(C#N)c2)[nH]n1 ZINC001203080690 960712367 /nfs/dbraw/zinc/71/23/67/960712367.db2.gz BMLKVGGXAHEIPJ-UHFFFAOYSA-N 1 0 240.310 2.222 20 30 BEEDRO C[NH+]1CCC(O[C@@H](C#N)c2ccccc2)CC1 ZINC001222504576 972527483 /nfs/dbraw/zinc/52/74/83/972527483.db2.gz VJYYJPAWJDHBNR-AWEZNQCLSA-N 1 0 230.311 2.362 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccn3ccnc3c2)C1 ZINC001141046057 960836827 /nfs/dbraw/zinc/83/68/27/960836827.db2.gz KUCBPOHQXDMPEM-CYBMUJFWSA-N 1 0 239.322 2.180 20 30 BEEDRO N#CCC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141160402 960897176 /nfs/dbraw/zinc/89/71/76/960897176.db2.gz XHZJDJISMMQNER-UHFFFAOYSA-N 1 0 246.310 2.223 20 30 BEEDRO CN(C)c1cccc(C[NH+]2CC(CC#N)C2)c1 ZINC001141257586 961024378 /nfs/dbraw/zinc/02/43/78/961024378.db2.gz OVKCAGIRAJNPLZ-UHFFFAOYSA-N 1 0 229.327 2.098 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(N)ccn1 ZINC000925771180 961063713 /nfs/dbraw/zinc/06/37/13/961063713.db2.gz LIXCYLCJORSXCJ-GHMZBOCLSA-N 1 0 219.332 2.354 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)/C(C)=C\CC ZINC001268055605 961086590 /nfs/dbraw/zinc/08/65/90/961086590.db2.gz SVUGLVZHUMPJSY-LLBKUYECSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H](C)CC ZINC001268058525 961107391 /nfs/dbraw/zinc/10/73/91/961107391.db2.gz DQOUIOCVTQPPME-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO 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C=CC(C)(C)C(=O)NC[C@@H](C)C[NH2+]CC(C)C ZINC001270478988 962991535 /nfs/dbraw/zinc/99/15/35/962991535.db2.gz WXMRPRBIEMOANT-LBPRGKRZSA-N 1 0 240.391 2.197 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C1(C)CCC1 ZINC001270478081 962991833 /nfs/dbraw/zinc/99/18/33/962991833.db2.gz LGNDNUUDXVUICR-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2ccc(C#N)cc2F)C1 ZINC001226049187 963002024 /nfs/dbraw/zinc/00/20/24/963002024.db2.gz JGLGLSUBIIAMBC-NSHDSACASA-N 1 0 234.274 2.170 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)C=C(C)C)C1 ZINC001270536699 963004752 /nfs/dbraw/zinc/00/47/52/963004752.db2.gz BSGYXVCUHBVSPU-CQSZACIVSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+]C[C@H](C)CNC(=O)CCC1(C)CC1 ZINC001270558887 963011450 /nfs/dbraw/zinc/01/14/50/963011450.db2.gz GVPCKQJSCUVBGH-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000880130051 963049865 /nfs/dbraw/zinc/04/98/65/963049865.db2.gz BUFXIZXEVSIRRA-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO 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C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C#N)CC2)CCO1 ZINC001168080114 963624986 /nfs/dbraw/zinc/62/49/86/963624986.db2.gz UIFVMLFRGGFRPH-RVMXOQNASA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)/C=C(/C)CC ZINC001157550516 963658580 /nfs/dbraw/zinc/65/85/80/963658580.db2.gz FPDXUNQGKCICLR-QBFSEMIESA-N 1 0 238.375 2.405 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1csc(C(=O)OC)c1 ZINC000689083634 963697907 /nfs/dbraw/zinc/69/79/07/963697907.db2.gz UIZNZPHHNQWOOP-SNVBAGLBSA-N 1 0 237.324 2.036 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCN(C)C(=O)CC1CC1 ZINC001271952116 963699049 /nfs/dbraw/zinc/69/90/49/963699049.db2.gz VDZAUWYEIVSBHH-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cn1 ZINC001157795026 963728848 /nfs/dbraw/zinc/72/88/48/963728848.db2.gz CMXJWFQQFIPSLW-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH2+]CCN(c1nc(C)ccc1C#N)C(C)(C)C ZINC001157825388 963733286 /nfs/dbraw/zinc/73/32/86/963733286.db2.gz GNVSPQKNKZIFFZ-UHFFFAOYSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC=CCC2)[C@H]1C ZINC001088465096 963834162 /nfs/dbraw/zinc/83/41/62/963834162.db2.gz FLPCICSLXJQIBR-MCIONIFRSA-N 1 0 248.370 2.108 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]C1(c2ccccn2)CC1 ZINC001168149854 963868835 /nfs/dbraw/zinc/86/88/35/963868835.db2.gz XLUWNGUWWWYKNB-UHFFFAOYSA-N 1 0 230.387 2.499 20 30 BEEDRO C=C(C)C[N@@H+](C)CCN(C)C(=O)C[C@H](C)CC ZINC001482591788 963901658 /nfs/dbraw/zinc/90/16/58/963901658.db2.gz NTXHHWVYWZSRQD-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO Cc1cc(C#N)cc(NC(C)(C)CC[NH+](C)C)n1 ZINC001158760362 963915603 /nfs/dbraw/zinc/91/56/03/963915603.db2.gz ROZFRMJLZKAFCV-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO Cc1cc(Cl)nc(-n2ccc(C[NH3+])c2)c1C#N ZINC001158760392 963915853 /nfs/dbraw/zinc/91/58/53/963915853.db2.gz TYPZJSIXFVQLIQ-UHFFFAOYSA-N 1 0 246.701 2.165 20 30 BEEDRO Cc1cccc(NC2(C)CC[NH2+]CC2)c1C#N ZINC001168186106 963943165 /nfs/dbraw/zinc/94/31/65/963943165.db2.gz SAORPUSASGGLTF-UHFFFAOYSA-N 1 0 229.327 2.421 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]C[C@H](C)CC ZINC001159021735 963975307 /nfs/dbraw/zinc/97/53/07/963975307.db2.gz ZUBKWTQNLCRTST-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1Cc2ccc(OC)cc2C1 ZINC001168229942 964011530 /nfs/dbraw/zinc/01/15/30/964011530.db2.gz DOWKQAXSBYRGSI-CYBMUJFWSA-N 1 0 217.312 2.328 20 30 BEEDRO CC(C)c1ccc(C#N)c(NCC2C[NH+](C)C2)n1 ZINC001159216057 964017292 /nfs/dbraw/zinc/01/72/92/964017292.db2.gz AFHVZJWHGVZJQI-UHFFFAOYSA-N 1 0 244.342 2.050 20 30 BEEDRO C=CCCCNc1ncc(C)cc1C[NH3+] ZINC001159262760 964033273 /nfs/dbraw/zinc/03/32/73/964033273.db2.gz WDYRHCULWATLTM-UHFFFAOYSA-N 1 0 205.305 2.227 20 30 BEEDRO C=CCCCNc1nccc(C2CC[NH2+]CC2)n1 ZINC001159262018 964036608 /nfs/dbraw/zinc/03/66/08/964036608.db2.gz FGDWVHZLQYOQAO-UHFFFAOYSA-N 1 0 246.358 2.322 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+]CC1(C#N)CC1)C2 ZINC001168241661 964041242 /nfs/dbraw/zinc/04/12/42/964041242.db2.gz LYYVOLXQIGWUPV-CYBMUJFWSA-N 1 0 242.322 2.056 20 30 BEEDRO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)CC#N)C2 ZINC001168244864 964049532 /nfs/dbraw/zinc/04/95/32/964049532.db2.gz SZRATDMITHUJEK-GXFFZTMASA-N 1 0 230.311 2.054 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC000302580580 964124098 /nfs/dbraw/zinc/12/40/98/964124098.db2.gz FCXJKJFVKXLITG-QJPTWQEYSA-N 1 0 238.331 2.000 20 30 BEEDRO N#Cc1c(F)ccc(NC2=C[NH2+]CCC2)c1F ZINC001159635885 964135314 /nfs/dbraw/zinc/13/53/14/964135314.db2.gz IEBFPWSGNHUQQP-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO N#Cc1cc(NC2=C[NH2+]CCC2)cc(F)c1F ZINC001159754877 964180771 /nfs/dbraw/zinc/18/07/71/964180771.db2.gz FFFYUISWELOYJA-UHFFFAOYSA-N 1 0 235.237 2.473 20 30 BEEDRO Cn1ccc2c1cc[nH+]c2NCCCS ZINC001159870265 964215268 /nfs/dbraw/zinc/21/52/68/964215268.db2.gz QCLWXEMGNAOYHQ-UHFFFAOYSA-N 1 0 221.329 2.305 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)CC(C)(C)C=C ZINC001482927330 964242903 /nfs/dbraw/zinc/24/29/03/964242903.db2.gz CDKPUMYACHKUAI-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=CC[NH2+]C/C=C/CNC(=O)CC1=CCCCC1 ZINC001482988674 964286005 /nfs/dbraw/zinc/28/60/05/964286005.db2.gz PMUPCTFMTLKPLQ-VOTSOKGWSA-N 1 0 248.370 2.325 20 30 BEEDRO N#Cc1ccc(-n2ccc3cccc(C[NH3+])c32)nc1 ZINC001160453054 964304563 /nfs/dbraw/zinc/30/45/63/964304563.db2.gz CMVNGMSTTWEKMU-UHFFFAOYSA-N 1 0 248.289 2.356 20 30 BEEDRO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCCc2ccccc21 ZINC000929128894 964312932 /nfs/dbraw/zinc/31/29/32/964312932.db2.gz GJOUYPHONPDROZ-UKRRQHHQSA-N 1 0 244.338 2.270 20 30 BEEDRO C[N@H+](C[C@H](O)CC#N)[C@H]1CCCc2ccccc21 ZINC000929128889 964313486 /nfs/dbraw/zinc/31/34/86/964313486.db2.gz GJOUYPHONPDROZ-HIFRSBDPSA-N 1 0 244.338 2.270 20 30 BEEDRO C=C(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001142517853 964356582 /nfs/dbraw/zinc/35/65/82/964356582.db2.gz CAFXNGITXYNKCT-GFCCVEGCSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[NH2+]C/C=C/CNC(=O)[C@@]1(C)C=CCC1 ZINC001483045160 964377351 /nfs/dbraw/zinc/37/73/51/964377351.db2.gz FUXMEJKKIPQARU-KIUWMYQTSA-N 1 0 248.370 2.181 20 30 BEEDRO CC(C)C[C@@H](C#N)NC1CCC([NH+](C)C)CC1 ZINC001168304110 964395311 /nfs/dbraw/zinc/39/53/11/964395311.db2.gz PRTSJWPUPKYOMV-MOKVOYLWSA-N 1 0 237.391 2.387 20 30 BEEDRO Cc1cc(C#N)c(N[C@@H](C[NH3+])C(C)(C)C)nc1C ZINC001160913765 964438971 /nfs/dbraw/zinc/43/89/71/964438971.db2.gz WVJYTXHWBLQRFN-LBPRGKRZSA-N 1 0 246.358 2.355 20 30 BEEDRO CC(C)(C)CO[C@H](CC#N)C[N+](C)(C)C ZINC001204886472 964473022 /nfs/dbraw/zinc/47/30/22/964473022.db2.gz JIDNHFXAZUIYHS-LLVKDONJSA-N 1 0 213.345 2.038 20 30 BEEDRO N#Cc1ccc(Nc2cccc(CC[NH3+])c2)nc1 ZINC001161079239 964512970 /nfs/dbraw/zinc/51/29/70/964512970.db2.gz ZVZSDVKBYJTGPX-UHFFFAOYSA-N 1 0 238.294 2.198 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OCC#N ZINC001224380217 964607315 /nfs/dbraw/zinc/60/73/15/964607315.db2.gz FGRPFWZJCMEBFZ-UKRRQHHQSA-N 1 0 244.338 2.437 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1OCC#N ZINC001224380209 964607521 /nfs/dbraw/zinc/60/75/21/964607521.db2.gz FGRPFWZJCMEBFZ-DZGCQCFKSA-N 1 0 244.338 2.437 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OCC1CC[NH+](C)CC1 ZINC001224452334 964654153 /nfs/dbraw/zinc/65/41/53/964654153.db2.gz FPZMCMCANGPHAM-ZIAGYGMSSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@H]1CCC[C@@H]1OCC1CC[NH+](C)CC1 ZINC001224452316 964654519 /nfs/dbraw/zinc/65/45/19/964654519.db2.gz FPZMCMCANGPHAM-KBPBESRZSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC001256959941 1169847984 /nfs/dbraw/zinc/84/79/84/1169847984.db2.gz VIWVXOZPVQHYMV-NRXISQOPSA-N 1 0 247.386 2.309 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)C1(CC=C)CCC1 ZINC001483164073 964795567 /nfs/dbraw/zinc/79/55/67/964795567.db2.gz SIGMHCLSIVFNRP-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC001483172285 964798653 /nfs/dbraw/zinc/79/86/53/964798653.db2.gz ONUSJTTUMUOIKH-GHMZBOCLSA-N 1 0 246.782 2.125 20 30 BEEDRO Cc1cccnc1C[NH2+]C#C[Si](C)(C)C ZINC001161883517 964808621 /nfs/dbraw/zinc/80/86/21/964808621.db2.gz NCSMVZNWHOOXKU-UHFFFAOYSA-N 1 0 218.376 2.318 20 30 BEEDRO N#CC1CCC(n2cccc2CC[NH3+])CC1 ZINC001256958773 1169851765 /nfs/dbraw/zinc/85/17/65/1169851765.db2.gz OUPXOIQHADJVLQ-UHFFFAOYSA-N 1 0 217.316 2.244 20 30 BEEDRO Cc1cc(N[C@]2(C)CCC[N@@H+](C)C2)ncc1C#N ZINC001162341516 964939600 /nfs/dbraw/zinc/93/96/00/964939600.db2.gz MJIQRCGWBDHNNI-CQSZACIVSA-N 1 0 244.342 2.158 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C[NH2+]C(C)C ZINC001483259035 964947588 /nfs/dbraw/zinc/94/75/88/964947588.db2.gz RCCHRMVRJHAWKR-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)c1ccccc1CC ZINC001483260976 964948529 /nfs/dbraw/zinc/94/85/29/964948529.db2.gz RGIOWIDYKDAKHL-LBPRGKRZSA-N 1 0 246.354 2.143 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[NH2+]CCC ZINC001483264076 964950084 /nfs/dbraw/zinc/95/00/84/964950084.db2.gz QIVDRLJDKHPNRO-AAEUAGOBSA-N 1 0 226.364 2.093 20 30 BEEDRO C[NH+](C)Cc1ccc(NCC2(C#N)CCC2)nc1 ZINC001162410787 964969119 /nfs/dbraw/zinc/96/91/19/964969119.db2.gz FNOFJBCPTYJNCM-UHFFFAOYSA-N 1 0 244.342 2.249 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C=C1CCC1 ZINC001483327558 964975045 /nfs/dbraw/zinc/97/50/45/964975045.db2.gz LAAYSBWPKMZZSZ-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CCCCNc1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC001162440288 964978930 /nfs/dbraw/zinc/97/89/30/964978930.db2.gz WZLXTMNDVUDGHY-UHFFFAOYSA-N 1 0 246.358 2.491 20 30 BEEDRO C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc(C#N)ccn1 ZINC001162453949 964984717 /nfs/dbraw/zinc/98/47/17/964984717.db2.gz MWARSUUATIYSSK-YPMHNXCESA-N 1 0 244.342 2.001 20 30 BEEDRO Cc1cc(NC[C@@H]2C[C@H](F)C[NH2+]2)ccc1CC#N ZINC001162477576 964991029 /nfs/dbraw/zinc/99/10/29/964991029.db2.gz LJNDSDKMVXNJJB-JSGCOSHPSA-N 1 0 247.317 2.173 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CCC ZINC001483381412 964998485 /nfs/dbraw/zinc/99/84/85/964998485.db2.gz YKHYVEXBWXXVGU-OCCSQVGLSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CCC(F)F ZINC001162641392 965078133 /nfs/dbraw/zinc/07/81/33/965078133.db2.gz GXNMMWKTUBCMET-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO Cc1nc(N[C@@H]2CC[NH2+][C@@H]2C)c(C#N)c(C)c1C ZINC001162673540 965106213 /nfs/dbraw/zinc/10/62/13/965106213.db2.gz RWCTZSNHAAUHRQ-DGCLKSJQSA-N 1 0 244.342 2.041 20 30 BEEDRO C/C(=N\O)c1ccc(N[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC001162681023 965114305 /nfs/dbraw/zinc/11/43/05/965114305.db2.gz UWHFIEVORGKINJ-AKSKDWEKSA-N 1 0 233.315 2.047 20 30 BEEDRO C=C(C)CCc1ccccc1N[C@@H]1COC[C@@H]1[NH3+] ZINC001162925124 965208795 /nfs/dbraw/zinc/20/87/95/965208795.db2.gz NZKXOTGXMHJNEC-DZGCQCFKSA-N 1 0 246.354 2.333 20 30 BEEDRO N#Cc1ccc(F)c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c1 ZINC001162984639 965220409 /nfs/dbraw/zinc/22/04/09/965220409.db2.gz NFAJYRNZMSSVEO-UONOGXRCSA-N 1 0 245.301 2.394 20 30 BEEDRO CC[C@@H](O)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695776338 965233186 /nfs/dbraw/zinc/23/31/86/965233186.db2.gz CTLMXBZSWSXWRJ-NWDGAFQWSA-N 1 0 226.364 2.455 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001231657296 965273446 /nfs/dbraw/zinc/27/34/46/965273446.db2.gz ILBPTROMJJTBHG-MRXNPFEDSA-N 1 0 241.334 2.280 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001231657293 965273635 /nfs/dbraw/zinc/27/36/35/965273635.db2.gz ILBPTROMJJTBHG-INIZCTEOSA-N 1 0 241.334 2.280 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c1 ZINC001231657893 965274123 /nfs/dbraw/zinc/27/41/23/965274123.db2.gz NXXFTXFZHZWZNR-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NCC#N)nc1 ZINC001163182130 965284124 /nfs/dbraw/zinc/28/41/24/965284124.db2.gz FPELMISJZQSXGM-GFCCVEGCSA-N 1 0 244.342 2.391 20 30 BEEDRO C=C(C)CNc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001163374325 965377243 /nfs/dbraw/zinc/37/72/43/965377243.db2.gz QLEURHDXZQCPOQ-GFCCVEGCSA-N 1 0 217.316 2.494 20 30 BEEDRO C#CCCC1(CCNc2cccc(N)[nH+]2)N=N1 ZINC001163378430 965382174 /nfs/dbraw/zinc/38/21/74/965382174.db2.gz ZUIZZEVCNWENKW-UHFFFAOYSA-N 1 0 229.287 2.041 20 30 BEEDRO C=C(C)CNc1ccc2c(C3C[NH2+]C3)ncn2c1 ZINC001163378233 965383035 /nfs/dbraw/zinc/38/30/35/965383035.db2.gz FWLYDJAVEIPMOE-UHFFFAOYSA-N 1 0 242.326 2.009 20 30 BEEDRO O=C1C=C(Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC001163454315 965410636 /nfs/dbraw/zinc/41/06/36/965410636.db2.gz OTNGLCDFWJRXOL-UHFFFAOYSA-N 1 0 228.295 2.339 20 30 BEEDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c(C#N)c1 ZINC001232962371 965444001 /nfs/dbraw/zinc/44/40/01/965444001.db2.gz MRSKUQYFHIQEAN-OAHLLOKOSA-N 1 0 244.338 2.071 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(C#N)c1 ZINC001232962952 965444814 /nfs/dbraw/zinc/44/48/14/965444814.db2.gz VOBUGLCDKRRAFW-IUODEOHRSA-N 1 0 244.338 2.069 20 30 BEEDRO CC(=O)C=C(C)Nc1ccc([C@H]2CCC[NH2+]2)cn1 ZINC001163733695 965549784 /nfs/dbraw/zinc/54/97/84/965549784.db2.gz XWWLBWTYSJQWKD-CHOZFAJLSA-N 1 0 245.326 2.411 20 30 BEEDRO C=CCCC(=O)NCCC1(C[NH2+]CC=C)CC1 ZINC001163762713 965567588 /nfs/dbraw/zinc/56/75/88/965567588.db2.gz LGIABYMQBLOZAY-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1(O)CCC1 ZINC000829180115 965577663 /nfs/dbraw/zinc/57/76/63/965577663.db2.gz SCECMIAHXWCFGG-NSHDSACASA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCc1cc(C)cnc1N[C@H](C)C[NH+](C)C ZINC001163773239 965579440 /nfs/dbraw/zinc/57/94/40/965579440.db2.gz SCUPVJXHURQEHS-GFCCVEGCSA-N 1 0 233.359 2.481 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cc(C#N)ccc1F ZINC001163777997 965581847 /nfs/dbraw/zinc/58/18/47/965581847.db2.gz CABBFTHJYKJIMV-SECBINFHSA-N 1 0 221.279 2.059 20 30 BEEDRO CSCCC[NH2+]C#C[Si](C)(C)C ZINC001163875068 965613204 /nfs/dbraw/zinc/61/32/04/965613204.db2.gz SXSHMWRESYPHER-UHFFFAOYSA-N 1 0 201.411 2.167 20 30 BEEDRO C=CCC1(C(=O)NC23CC[NH+](CC2)C3)CCCC1 ZINC000913634870 965624799 /nfs/dbraw/zinc/62/47/99/965624799.db2.gz IIGNBRRIDXQYLU-UHFFFAOYSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)/C=C\C2CC2)CC1 ZINC001163958520 965662496 /nfs/dbraw/zinc/66/24/96/965662496.db2.gz JBEMIUBQUNSRCM-WAYWQWQTSA-N 1 0 248.370 2.015 20 30 BEEDRO Cc1cc(C[NH3+])nn1-c1ccccc1CS ZINC001163985749 965679013 /nfs/dbraw/zinc/67/90/13/965679013.db2.gz AIGGHEKSCAWOMT-UHFFFAOYSA-N 1 0 233.340 2.069 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C[C@@H]1CC=CCC1 ZINC001163995722 965684228 /nfs/dbraw/zinc/68/42/28/965684228.db2.gz RASNGPHVKCMJEC-CYBMUJFWSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CCN1CC[C@@]2(CCC[N@@H+]2CC2CCC2)C1=O ZINC001272515772 965715969 /nfs/dbraw/zinc/71/59/69/965715969.db2.gz VSXJWULLGLYEFV-HNNXBMFYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C/C=C(\C)C=C ZINC001164116720 965742381 /nfs/dbraw/zinc/74/23/81/965742381.db2.gz PQRGKDQADVVASO-MDWZMJQESA-N 1 0 236.359 2.181 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCCC1(C)C ZINC001164164116 965773318 /nfs/dbraw/zinc/77/33/18/965773318.db2.gz WUFHWEBMZXLVPV-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)CCCC1CC1 ZINC001164290193 965834351 /nfs/dbraw/zinc/83/43/51/965834351.db2.gz XYQLEUJBVPVBRU-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)C(C)C ZINC000059090608 965924149 /nfs/dbraw/zinc/92/41/49/965924149.db2.gz YLDFQTIAMIQPIB-UHFFFAOYSA-N 1 0 228.380 2.319 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C1CCC(F)(F)CC1 ZINC000699531333 965942362 /nfs/dbraw/zinc/94/23/62/965942362.db2.gz JDPDFSBBLPRLFH-SNVBAGLBSA-N 1 0 246.301 2.425 20 30 BEEDRO C=CCCCCCN1CC[NH2+]CC12CC2 ZINC001234977519 965982750 /nfs/dbraw/zinc/98/27/50/965982750.db2.gz ZBMJBVJKWFHBKQ-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO C=CCCC[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000379722872 1169882895 /nfs/dbraw/zinc/88/28/95/1169882895.db2.gz KWKUNDYZFYSTGX-AWEZNQCLSA-N 1 0 235.327 2.284 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc(C#N)c1 ZINC000699772552 966083530 /nfs/dbraw/zinc/08/35/30/966083530.db2.gz DNCDAGNTHRZNOA-SUNKGSAMSA-N 1 0 230.311 2.244 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H]1CCCC[C@H]1C ZINC001165399546 966098025 /nfs/dbraw/zinc/09/80/25/966098025.db2.gz HEGQQPZRZSRCPB-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]C[C@H](C)CC ZINC001165529650 966112344 /nfs/dbraw/zinc/11/23/44/966112344.db2.gz AHMDSFWQBKXLQD-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CC(C)C ZINC001165535139 966114177 /nfs/dbraw/zinc/11/41/77/966114177.db2.gz BLKCQPGGLBBEFC-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C#CCN(CCC[NH2+]C)[C@@H]1CCc2ccccc21 ZINC001235834845 966118802 /nfs/dbraw/zinc/11/88/02/966118802.db2.gz PJMPEJWXNLIRPC-MRXNPFEDSA-N 1 0 242.366 2.219 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@@H]1COC[C@@H]1C ZINC000699825688 966122269 /nfs/dbraw/zinc/12/22/69/966122269.db2.gz VENVAQGXBORLSM-GXTWGEPZSA-N 1 0 247.338 2.376 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000699883843 966161097 /nfs/dbraw/zinc/16/10/97/966161097.db2.gz GADAPRGTUYUGMW-LSDHHAIUSA-N 1 0 244.338 2.267 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C[C@H]1C[C@H]1C ZINC001165894620 966195403 /nfs/dbraw/zinc/19/54/03/966195403.db2.gz FYQJCCIJQVSYIY-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC1(C(=O)NCCC[NH2+]C(C)C)CCC1 ZINC001165982997 966226040 /nfs/dbraw/zinc/22/60/40/966226040.db2.gz JOICKKUEGCGTHA-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO CN(Cc1ccc(C#N)cc1)c1cc(N)cc[nH+]1 ZINC001166538160 966292092 /nfs/dbraw/zinc/29/20/92/966292092.db2.gz UAWGXKDIGKZFCA-UHFFFAOYSA-N 1 0 238.294 2.172 20 30 BEEDRO C=CCC[N@H+]1CC(C)(C)CC[C@@H]1CNC(C)=O ZINC001089594246 966363855 /nfs/dbraw/zinc/36/38/55/966363855.db2.gz ZZOJVUQXMJYPNE-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCCC)[C@@H](C)C1 ZINC001483898166 966398224 /nfs/dbraw/zinc/39/82/24/966398224.db2.gz GCXXMPOQMSRIMV-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@@H](OCC[NH+]1CCCCC1)c1ccncc1 ZINC001206718361 966408926 /nfs/dbraw/zinc/40/89/26/966408926.db2.gz OXMLWDAJFFGGOX-OAHLLOKOSA-N 1 0 244.338 2.258 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)C(C)=C2CCC2)C1 ZINC001484046404 966422605 /nfs/dbraw/zinc/42/26/05/966422605.db2.gz RDNZKKZBWIJDGZ-OAHLLOKOSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)CC)C1 ZINC001484079193 966427858 /nfs/dbraw/zinc/42/78/58/966427858.db2.gz CWPSEPFLCDNXJE-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001484331206 966456926 /nfs/dbraw/zinc/45/69/26/966456926.db2.gz JRAWKJNEKOPNEC-JSGCOSHPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001484331205 966457187 /nfs/dbraw/zinc/45/71/87/966457187.db2.gz JRAWKJNEKOPNEC-GXTWGEPZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CN(C(=O)CC)C[C@@H]1C ZINC001484357916 966458687 /nfs/dbraw/zinc/45/86/87/966458687.db2.gz KDQQVVHALSMONN-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CCN(Cc1ccccc1)C(=O)CC ZINC001484398310 966463342 /nfs/dbraw/zinc/46/33/42/966463342.db2.gz ZBWBYIRHYQTCMJ-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@H](C)CCC)CCC1 ZINC001484628767 966499067 /nfs/dbraw/zinc/49/90/67/966499067.db2.gz YVQPELPOLGVMLQ-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@@H]1C[C@H]1CC ZINC001167022482 966524676 /nfs/dbraw/zinc/52/46/76/966524676.db2.gz HBSXURMLNYXQFC-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NCC[C@H](C)[NH2+]CCF ZINC001484998578 966528636 /nfs/dbraw/zinc/52/86/36/966528636.db2.gz QKSMHWKMYPHDLZ-WCQYABFASA-N 1 0 244.354 2.043 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC(C)C ZINC001485116636 966547368 /nfs/dbraw/zinc/54/73/68/966547368.db2.gz STKHYNWSUOWTJM-RYUDHWBXSA-N 1 0 226.364 2.091 20 30 BEEDRO C#CCCCCC(=O)N[C@H](C)[C@@H](C)[NH2+]C(C)C ZINC001485140402 966554601 /nfs/dbraw/zinc/55/46/01/966554601.db2.gz QPIBMYRNMMRASE-CHWSQXEVSA-N 1 0 238.375 2.071 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCC(=C)C ZINC001485153162 966555274 /nfs/dbraw/zinc/55/52/74/966555274.db2.gz PQVJMQBRXRKNNM-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001485180754 966558741 /nfs/dbraw/zinc/55/87/41/966558741.db2.gz GQZFOVQMMCEXQD-NEPJUHHUSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)CCC)C1 ZINC001485495313 966607554 /nfs/dbraw/zinc/60/75/54/966607554.db2.gz FMYOVGLDCRCRGA-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1C[C@H](NC(=O)CCC)C(C)(C)C1 ZINC001485560621 966613932 /nfs/dbraw/zinc/61/39/32/966613932.db2.gz FVXRFKVMZDZGLL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)CC)C(C)(C)C1 ZINC001485558035 966615287 /nfs/dbraw/zinc/61/52/87/966615287.db2.gz ASUVJJQOIDABQH-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H](C)C1CC1 ZINC001485716659 966627212 /nfs/dbraw/zinc/62/72/12/966627212.db2.gz ASKVXDGTFKQZBS-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)CCC[NH2+]CC ZINC001485723927 966627720 /nfs/dbraw/zinc/62/77/20/966627720.db2.gz DMEWPCYOUNRIHS-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCCC(=O)N[C@H]1C[C@H](C[NH2+]CC=C)C1 ZINC001485694583 966630392 /nfs/dbraw/zinc/63/03/92/966630392.db2.gz NNYIUJVLOAJLPG-JOCQHMNTSA-N 1 0 236.359 2.013 20 30 BEEDRO N#CCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC001237222004 966648795 /nfs/dbraw/zinc/64/87/95/966648795.db2.gz SGRLOANAIRBNAW-UHFFFAOYSA-N 1 0 229.327 2.394 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC001203536368 966676433 /nfs/dbraw/zinc/67/64/33/966676433.db2.gz PYKMPLSGZCTJTF-FOSCPCJNSA-N 1 0 247.313 2.203 20 30 BEEDRO COc1ccoc1C[NH+]1CCC(CC#N)CC1 ZINC001237870864 966698629 /nfs/dbraw/zinc/69/86/29/966698629.db2.gz GTCZKWIDHVPGKS-UHFFFAOYSA-N 1 0 234.299 2.414 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(OC)cc2O)CC1 ZINC001203634816 966714560 /nfs/dbraw/zinc/71/45/60/966714560.db2.gz WTXSRRWPVWLSEY-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC(C)(C)C[C@H]2C)C1 ZINC001203666029 966722970 /nfs/dbraw/zinc/72/29/70/966722970.db2.gz WGIPTFCXQMLDJT-ILXRZTDVSA-N 1 0 248.414 2.498 20 30 BEEDRO Cn1cc[nH+]c1Nc1cc(F)c(C#N)c(F)c1 ZINC001203668599 966734480 /nfs/dbraw/zinc/73/44/80/966734480.db2.gz HNJHCQCPZOIXID-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CCCC3(COC3)C2)c1 ZINC001203757938 966771121 /nfs/dbraw/zinc/77/11/21/966771121.db2.gz XFGOCUBGTTUFDV-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](CCC)C(=O)OCC)C1 ZINC000692327236 966808441 /nfs/dbraw/zinc/80/84/41/966808441.db2.gz DNOXWAMPMRYPGM-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCC[C@@H]1O ZINC001203900005 966817206 /nfs/dbraw/zinc/81/72/06/966817206.db2.gz LUWGUDRNOPFAPZ-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO CO[C@H](C)C1C[NH+](Cc2ccc(C#N)cc2)C1 ZINC001203906772 966819353 /nfs/dbraw/zinc/81/93/53/966819353.db2.gz YWYHTLYQXDZHMA-LLVKDONJSA-N 1 0 230.311 2.025 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](Cc2ccc[nH]2)CC1 ZINC001204006835 966845379 /nfs/dbraw/zinc/84/53/79/966845379.db2.gz CMIFLQXBVXXKKE-LLVKDONJSA-N 1 0 203.289 2.140 20 30 BEEDRO CCCCCCCOC(=O)N[C@H](CC)C[NH3+] ZINC001239322099 966849857 /nfs/dbraw/zinc/84/98/57/966849857.db2.gz VLLBSAIWSMACBV-LLVKDONJSA-N 1 0 230.352 2.420 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001204027625 966858169 /nfs/dbraw/zinc/85/81/69/966858169.db2.gz KSJIXSLBQLRGLT-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCC1(C)C ZINC001492378468 1169900193 /nfs/dbraw/zinc/90/01/93/1169900193.db2.gz PJAXCZTYEGGGAF-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO CCC1(Nc2cccc(C)c2C#N)C[NH2+]C1 ZINC001168583374 966926966 /nfs/dbraw/zinc/92/69/66/966926966.db2.gz KTNABBXLPDARQS-UHFFFAOYSA-N 1 0 215.300 2.031 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 ZINC001168593903 966961738 /nfs/dbraw/zinc/96/17/38/966961738.db2.gz WOBXSUBDCWFDDM-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc(C#N)n1 ZINC001168601950 966971366 /nfs/dbraw/zinc/97/13/66/966971366.db2.gz XQQGDYGFKCZDQT-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)CC[C@@]1(C)O ZINC001204368728 966979481 /nfs/dbraw/zinc/97/94/81/966979481.db2.gz VIUDBIAFDKGWKL-SWLSCSKDSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)CC[C@H]1O ZINC001204366474 966982431 /nfs/dbraw/zinc/98/24/31/966982431.db2.gz JACKMRGZFBMLAQ-IUODEOHRSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000686014880 967020397 /nfs/dbraw/zinc/02/03/97/967020397.db2.gz PSVIWNRZJSYCBV-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2O ZINC000693124980 967106821 /nfs/dbraw/zinc/10/68/21/967106821.db2.gz WMXHTJOPUDBEDV-AXFHLTTASA-N 1 0 229.751 2.220 20 30 BEEDRO C[C@@]1([NH3+])CCN(Cc2c(Cl)cccc2C#N)C1 ZINC001204791677 967170426 /nfs/dbraw/zinc/17/04/26/967170426.db2.gz RGZJEBGBTYOQGE-CYBMUJFWSA-N 1 0 249.745 2.135 20 30 BEEDRO N#CCc1ccccc1-c1cncc(C[NH3+])c1 ZINC001239798404 967191994 /nfs/dbraw/zinc/19/19/94/967191994.db2.gz DKXLVUJTVYAACA-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO C=CCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001249953714 967195381 /nfs/dbraw/zinc/19/53/81/967195381.db2.gz KBODCYMTFYSVNT-UHFFFAOYSA-N 1 0 230.355 2.163 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](CO)C1CC1 ZINC000921743153 967240684 /nfs/dbraw/zinc/24/06/84/967240684.db2.gz KSRFXZRJEUHFCH-OAHLLOKOSA-N 1 0 244.338 2.036 20 30 BEEDRO C=CCCC[NH2+]CCCC[C@@H](C)NC(C)=O ZINC001168658056 967243602 /nfs/dbraw/zinc/24/36/02/967243602.db2.gz HJJFRRHBILVEPY-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO CCC(CC)CO[C@H](CC#N)C[N+](C)(C)C ZINC001204939133 967244351 /nfs/dbraw/zinc/24/43/51/967244351.db2.gz NQYJFLVVPQUBIW-CYBMUJFWSA-N 1 0 227.372 2.428 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccco1 ZINC001272923043 967263009 /nfs/dbraw/zinc/26/30/09/967263009.db2.gz BSORAABODRCEAN-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001485853373 967296385 /nfs/dbraw/zinc/29/63/85/967296385.db2.gz LJWPLTKMFZRSTR-JYKYSHPRSA-N 1 0 244.766 2.142 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]Cc1csc(C#N)c1 ZINC000921847116 967317596 /nfs/dbraw/zinc/31/75/96/967317596.db2.gz ACNSVNHXTHAZQB-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO C[NH+](C)CCCOc1ccc(CCC#N)cc1 ZINC001250058087 967322726 /nfs/dbraw/zinc/32/27/26/967322726.db2.gz IMHWACQDBNZMKY-UHFFFAOYSA-N 1 0 232.327 2.473 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CCCC)[C@@H]1C ZINC001486073045 967348321 /nfs/dbraw/zinc/34/83/21/967348321.db2.gz UNGJRKFECCKUNU-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccco2)C1 ZINC001486102804 967350672 /nfs/dbraw/zinc/35/06/72/967350672.db2.gz WZICSRAERXLEIQ-RYUDHWBXSA-N 1 0 248.326 2.048 20 30 BEEDRO Cc1ccc(CN2CCC[C@@H]([NH3+])CC2)c(C#N)c1 ZINC001205117532 967366748 /nfs/dbraw/zinc/36/67/48/967366748.db2.gz QINAQNPKADTXRR-OAHLLOKOSA-N 1 0 243.354 2.180 20 30 BEEDRO CC#CCC[NH2+][C@@H](COC)CC(C)(C)C ZINC001205136556 967384546 /nfs/dbraw/zinc/38/45/46/967384546.db2.gz FJNMEIUWLGVTPW-GFCCVEGCSA-N 1 0 211.349 2.441 20 30 BEEDRO C=CCCC(=O)NCC1=CC[N@H+](CCC)CC1 ZINC001486504092 967403159 /nfs/dbraw/zinc/40/31/59/967403159.db2.gz OQKAEJJEIKLAFV-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C[NH+](C)CCCc1cc(F)cc(C#N)c1 ZINC001250161142 967452514 /nfs/dbraw/zinc/45/25/14/967452514.db2.gz OMDPOKHMQTXADZ-UHFFFAOYSA-N 1 0 206.264 2.192 20 30 BEEDRO C=CCC[N@@H+](CCNC(=O)[C@@H](C)CC)C1CC1 ZINC001317548545 1169907450 /nfs/dbraw/zinc/90/74/50/1169907450.db2.gz YIRCHBLNDQMLRI-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CN1CC[NH+](CCCC2=CC[C@H](C#N)CC2)CC1 ZINC001250231662 967545500 /nfs/dbraw/zinc/54/55/00/967545500.db2.gz VHVDZFFHMPABOY-HNNXBMFYSA-N 1 0 247.386 2.264 20 30 BEEDRO C=C(C)CCC(=O)NCC[NH2+]Cc1ccccc1 ZINC001128404823 967546721 /nfs/dbraw/zinc/54/67/21/967546721.db2.gz DZXNVOJGXMBDKH-UHFFFAOYSA-N 1 0 246.354 2.249 20 30 BEEDRO C=C(C)C[NH2+]CCCC[C@H](C)NC(=O)C1CC1 ZINC001168711062 967594504 /nfs/dbraw/zinc/59/45/04/967594504.db2.gz JZAOTUQIXXUXBA-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[N@@H+](CCCNC(=O)C(F)F)C(C)C ZINC001317681880 1169909188 /nfs/dbraw/zinc/90/91/88/1169909188.db2.gz RZQBIDXKMLPDEV-UHFFFAOYSA-N 1 0 248.317 2.044 20 30 BEEDRO N#CC1(C[NH2+]Cc2ccc(Cl)cc2O)CC1 ZINC001205562745 967698172 /nfs/dbraw/zinc/69/81/72/967698172.db2.gz WYXAZMLOGOXICH-UHFFFAOYSA-N 1 0 236.702 2.439 20 30 BEEDRO CC[NH+]1CCC(OCCCCC#N)CC1 ZINC001205662894 967748588 /nfs/dbraw/zinc/74/85/88/967748588.db2.gz DGSIJODJHFVEMR-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cnc2c(F)cccc2c1 ZINC001205744347 967809968 /nfs/dbraw/zinc/80/99/68/967809968.db2.gz IDQQFMXBXVHWHN-JTQLQIEISA-N 1 0 228.270 2.485 20 30 BEEDRO C#Cc1ccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])cc1 ZINC001205831073 967841386 /nfs/dbraw/zinc/84/13/86/967841386.db2.gz WEZHZHNVCQESLI-CZUORRHYSA-N 1 0 242.366 2.227 20 30 BEEDRO C[C@H]1C[NH2+]CCC[C@@H]1CNc1cccc(C#N)n1 ZINC001162456326 967842148 /nfs/dbraw/zinc/84/21/48/967842148.db2.gz HSQZOHBRPBISRJ-NWDGAFQWSA-N 1 0 244.342 2.001 20 30 BEEDRO C#Cc1cccc(CN2C[C@H](C)CC[C@@H]2C[NH3+])c1 ZINC001205828775 967843166 /nfs/dbraw/zinc/84/31/66/967843166.db2.gz MYUDZGPUAUUYBS-CZUORRHYSA-N 1 0 242.366 2.227 20 30 BEEDRO Cc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(C#N)c1 ZINC001205880492 967871346 /nfs/dbraw/zinc/87/13/46/967871346.db2.gz JRJLUWIJSMVMCV-DOMZBBRYSA-N 1 0 243.354 2.036 20 30 BEEDRO CN(CCC[NH+](C)C)Cc1cc(F)cc(C#N)c1 ZINC000163618080 967877927 /nfs/dbraw/zinc/87/79/27/967877927.db2.gz NURQUBKKVWQMGV-UHFFFAOYSA-N 1 0 249.333 2.081 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC000163624112 967881112 /nfs/dbraw/zinc/88/11/12/967881112.db2.gz UKRNLYYYMIKRNK-NSHDSACASA-N 1 0 248.301 2.166 20 30 BEEDRO CCC(C)(C)[C@@H](C)[NH2+]CCO[C@H](C)C#N ZINC000695104691 967970277 /nfs/dbraw/zinc/97/02/77/967970277.db2.gz CDSBVAOLVVXUQU-GHMZBOCLSA-N 1 0 212.337 2.329 20 30 BEEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC(C)(C)C)C1 ZINC001206035656 967993616 /nfs/dbraw/zinc/99/36/16/967993616.db2.gz YDLRWLWOOSMWRA-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCNc1ccc(C2([NH3+])CCC2)cc1 ZINC001163366772 968026577 /nfs/dbraw/zinc/02/65/77/968026577.db2.gz JNCWVZUXOQUBMC-UHFFFAOYSA-N 1 0 200.285 2.070 20 30 BEEDRO C#CCNc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC001163367043 968028239 /nfs/dbraw/zinc/02/82/39/968028239.db2.gz NFFFHVIZSREGHF-ZDUSSCGKSA-N 1 0 200.285 2.156 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1(C2CC2)CCOCC1 ZINC001331770851 968047721 /nfs/dbraw/zinc/04/77/21/968047721.db2.gz OKMOPQWWUYTTBD-LLVKDONJSA-N 1 0 209.333 2.500 20 30 BEEDRO CC(C)N(CCC[NH3+])c1cccc(CC#N)c1F ZINC001164122914 968174654 /nfs/dbraw/zinc/17/46/54/968174654.db2.gz SANMFJNGDUHYAJ-UHFFFAOYSA-N 1 0 249.333 2.455 20 30 BEEDRO C[NH+](C)CCCOC1CCC(C#N)CC1 ZINC001206287677 968198911 /nfs/dbraw/zinc/19/89/11/968198911.db2.gz SXDXSAJIRUPASR-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC)C1 ZINC001082722906 968267262 /nfs/dbraw/zinc/26/72/62/968267262.db2.gz NCJRDDCGYFNFEX-YRGRVCCFSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCCN1C[C@H](F)C[C@H]([NH3+])C1 ZINC001206403789 968282283 /nfs/dbraw/zinc/28/22/83/968282283.db2.gz JKDPLISBAJRZJZ-NEPJUHHUSA-N 1 0 216.344 2.328 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001119269219 968304238 /nfs/dbraw/zinc/30/42/38/968304238.db2.gz UUSFWUMBOQOIGG-GFCCVEGCSA-N 1 0 231.343 2.346 20 30 BEEDRO COC(=O)CC(C)(C)[N@H+](C)C[C@@H](C)CCC#N ZINC001119295348 968312395 /nfs/dbraw/zinc/31/23/95/968312395.db2.gz AWKDVHIBTYGNOH-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO N#Cc1ncc(Cl)cc1Nc1cc[nH+]c(N)c1 ZINC001206542777 968371507 /nfs/dbraw/zinc/37/15/07/968371507.db2.gz JAZBILIRPAEBSN-UHFFFAOYSA-N 1 0 245.673 2.327 20 30 BEEDRO N#Cc1ccc(F)cc1Nc1cc[nH+]c(N)c1 ZINC001206557319 968378387 /nfs/dbraw/zinc/37/83/87/968378387.db2.gz YCAMNGCQOKSHLW-UHFFFAOYSA-N 1 0 228.230 2.418 20 30 BEEDRO COc1ccc(Nc2cc[nH+]c(N)c2)cc1C#N ZINC001206557312 968380578 /nfs/dbraw/zinc/38/05/78/968380578.db2.gz XRDWRSAVHGRRRP-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO C#Cc1ccccc1Nc1cc[nH+]c(N)c1 ZINC001206567708 968388695 /nfs/dbraw/zinc/38/86/95/968388695.db2.gz BKLDAOHDSKSEPV-UHFFFAOYSA-N 1 0 209.252 2.389 20 30 BEEDRO CCCC[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC001252089559 968511810 /nfs/dbraw/zinc/51/18/10/968511810.db2.gz RMCBWMFFDSRZQI-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)C ZINC001085135108 968543297 /nfs/dbraw/zinc/54/32/97/968543297.db2.gz WJJRSMIXIWJUHV-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C=C1CCC1 ZINC001085166644 968548433 /nfs/dbraw/zinc/54/84/33/968548433.db2.gz LMXDTDQLWMNPES-ZIAGYGMSSA-N 1 0 248.370 2.300 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCN(C(=O)CCC)C1 ZINC001207055783 968587633 /nfs/dbraw/zinc/58/76/33/968587633.db2.gz NYLUEDYWTUPWIC-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCCCCC[C@H](O)C[NH2+][C@@H]1CCOC1 ZINC001252131793 968608543 /nfs/dbraw/zinc/60/85/43/968608543.db2.gz VVAZATXSWNXWQO-KGLIPLIRSA-N 1 0 243.391 2.476 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C1CC(=O)C1 ZINC001252135571 968609554 /nfs/dbraw/zinc/60/95/54/968609554.db2.gz FRHVIGDVTWNYDT-CYBMUJFWSA-N 1 0 241.375 2.419 20 30 BEEDRO CC(C)(O)C[NH2+]Cc1ccc(Cl)c(C#N)c1 ZINC001252371443 968651838 /nfs/dbraw/zinc/65/18/38/968651838.db2.gz PBHXEFUAHLLAQL-UHFFFAOYSA-N 1 0 238.718 2.072 20 30 BEEDRO C=CC[N@H+](C)CCc1c(Cl)ncnc1Cl ZINC001207331563 968729596 /nfs/dbraw/zinc/72/95/96/968729596.db2.gz MJHGQEWZZZUXTJ-UHFFFAOYSA-N 1 0 246.141 2.444 20 30 BEEDRO C=C(C)c1ccccc1CN1CC[C@@H]([NH3+])C1 ZINC001240836346 968747821 /nfs/dbraw/zinc/74/78/21/968747821.db2.gz DIRFIGDINZPTAO-CYBMUJFWSA-N 1 0 216.328 2.253 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC001207394657 968749218 /nfs/dbraw/zinc/74/92/18/968749218.db2.gz TUCPHXKIYKREGA-HOCLYGCPSA-N 1 0 245.366 2.462 20 30 BEEDRO C=C(C)c1ccc(C[C@H](C[NH3+])C(=O)OC)cc1 ZINC001240836465 968750914 /nfs/dbraw/zinc/75/09/14/968750914.db2.gz LLRYVYRZDJVEDS-CYBMUJFWSA-N 1 0 233.311 2.010 20 30 BEEDRO C=C(C)c1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC001240836540 968754961 /nfs/dbraw/zinc/75/49/61/968754961.db2.gz ORRMQQZFMDMEFX-UHFFFAOYSA-N 1 0 244.338 2.202 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)c1ccoc1 ZINC001085484468 968764960 /nfs/dbraw/zinc/76/49/60/968764960.db2.gz DPCAZUXVTGICAF-ZDUSSCGKSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1CCC(F)(F)CC1 ZINC001252541486 968774786 /nfs/dbraw/zinc/77/47/86/968774786.db2.gz MIVVRRXBBHOYDT-SNVBAGLBSA-N 1 0 219.275 2.091 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C1CC=CC1 ZINC001085526924 968782746 /nfs/dbraw/zinc/78/27/46/968782746.db2.gz NPJRNTABASGUNV-AWEZNQCLSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@@H]2CCC[C@H]2C1 ZINC001252550925 968787995 /nfs/dbraw/zinc/78/79/95/968787995.db2.gz RLCYEFSIXCJYLX-AVGNSLFASA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001329522466 968788314 /nfs/dbraw/zinc/78/83/14/968788314.db2.gz HHELQYKZQHFPHK-AVGNSLFASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)CCc1cccs1 ZINC001252554430 968790977 /nfs/dbraw/zinc/79/09/77/968790977.db2.gz GPIXQWJWBRMYFB-GFCCVEGCSA-N 1 0 225.357 2.159 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001252554798 968794892 /nfs/dbraw/zinc/79/48/92/968794892.db2.gz LUUCSCCVIABOOD-UONOGXRCSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1c1ccncc1 ZINC001252554796 968795758 /nfs/dbraw/zinc/79/57/58/968795758.db2.gz LUUCSCCVIABOOD-KBPBESRZSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1Cc1ccccn1 ZINC001252554647 968795850 /nfs/dbraw/zinc/79/58/50/968795850.db2.gz JEIYIINMJTXTFD-HUUCEWRRSA-N 1 0 246.354 2.026 20 30 BEEDRO C=C[C@](C)(O)C[N@H+](C)CCc1ccc(C)cc1 ZINC001252554641 968797824 /nfs/dbraw/zinc/79/78/24/968797824.db2.gz JANQFOHASZVQMG-HNNXBMFYSA-N 1 0 233.355 2.406 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCc2ccsc2C1 ZINC001252555091 968798052 /nfs/dbraw/zinc/79/80/52/968798052.db2.gz ORWSYYAIEXHIIP-GFCCVEGCSA-N 1 0 223.341 2.043 20 30 BEEDRO CCC[C@](C)(O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179020 968820495 /nfs/dbraw/zinc/82/04/95/968820495.db2.gz JYUIGYKQAPSAJY-YPMHNXCESA-N 1 0 226.364 2.455 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CC2CCC(CC2)C1 ZINC001252557651 968801996 /nfs/dbraw/zinc/80/19/96/968801996.db2.gz JJSNXFLSICLMBQ-BPCQOVAHSA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CCOc2cccc(C)c21 ZINC001252570071 968819926 /nfs/dbraw/zinc/81/99/26/968819926.db2.gz YCXWEQKZHDCYJE-DOMZBBRYSA-N 1 0 247.338 2.345 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1ccc(OCC)cc1 ZINC001252571124 968820087 /nfs/dbraw/zinc/82/00/87/968820087.db2.gz DUDFWPCXRFBHIU-HNNXBMFYSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccccc2)CC1 ZINC001252571191 968820286 /nfs/dbraw/zinc/82/02/86/968820286.db2.gz FVXRHMTYZFNDPN-ZDUSSCGKSA-N 1 0 217.312 2.202 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1OC ZINC001252571246 968820764 /nfs/dbraw/zinc/82/07/64/968820764.db2.gz GQEAFABGZZTYFA-BXUZGUMPSA-N 1 0 235.327 2.283 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CO[C@H](C)C1 ZINC000829179874 968821863 /nfs/dbraw/zinc/82/18/63/968821863.db2.gz PUEVUMLNTBRAPZ-GMTAPVOTSA-N 1 0 210.321 2.082 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](C)Cc1ccc(F)cc1 ZINC001252572177 968822668 /nfs/dbraw/zinc/82/26/68/968822668.db2.gz NXLOPNZQUSZCOP-FZMZJTMJSA-N 1 0 237.318 2.283 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(CC)cc1 ZINC001252572087 968822785 /nfs/dbraw/zinc/82/27/85/968822785.db2.gz MWQTVXQXHICLCX-OAHLLOKOSA-N 1 0 233.355 2.318 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(Cc2ccccc2)CC1 ZINC001252573182 968822980 /nfs/dbraw/zinc/82/29/80/968822980.db2.gz CISLXESRKYTPHR-AWEZNQCLSA-N 1 0 231.339 2.288 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCc1ccc(OC)cc1 ZINC001252571699 968823737 /nfs/dbraw/zinc/82/37/37/968823737.db2.gz JHRZSDJVTQPGDW-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCc1cccc(OC)c1 ZINC001252573076 968823790 /nfs/dbraw/zinc/82/37/90/968823790.db2.gz YOSXNVABKNLNOO-OAHLLOKOSA-N 1 0 249.354 2.154 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCOC(F)(F)F ZINC000829180828 968824441 /nfs/dbraw/zinc/82/44/41/968824441.db2.gz YKKQBICQMMHLIM-MRVPVSSYSA-N 1 0 238.253 2.441 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC001252574141 968824798 /nfs/dbraw/zinc/82/47/98/968824798.db2.gz MAXCKKAJQZUKHE-IDWKVMDRSA-N 1 0 235.371 2.338 20 30 BEEDRO C[C@@H](CO)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829178063 968826276 /nfs/dbraw/zinc/82/62/76/968826276.db2.gz AOGHTICCRYVMPO-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C[C@@](C)(O)CNC(=[NH2+])C1CCCCCC1 ZINC001252576156 968827456 /nfs/dbraw/zinc/82/74/56/968827456.db2.gz JBDJKTBXQZJSQL-CYBMUJFWSA-N 1 0 224.348 2.461 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](CC)c1ccccn1 ZINC001252575765 968827722 /nfs/dbraw/zinc/82/77/22/968827722.db2.gz FSKHEJFKMCRHNW-DGCLKSJQSA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CC12CCC(F)(F)CC2 ZINC001252578151 968829886 /nfs/dbraw/zinc/82/98/86/968829886.db2.gz CAAQYQNJWCEGKF-GHMZBOCLSA-N 1 0 245.313 2.481 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC1(CC2CCC2)CC1 ZINC001252578101 968831117 /nfs/dbraw/zinc/83/11/17/968831117.db2.gz BNOBGSZLKKMARM-CYBMUJFWSA-N 1 0 223.360 2.483 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC001252580456 968833552 /nfs/dbraw/zinc/83/35/52/968833552.db2.gz RCHOKCNDLVMTCS-YGRLFVJLSA-N 1 0 249.310 2.003 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc2ccoc2c1 ZINC001252582483 968835055 /nfs/dbraw/zinc/83/50/55/968835055.db2.gz SLERNAXPQQOMQR-CQSZACIVSA-N 1 0 231.295 2.459 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCC1CCC(OC)CC1 ZINC001252582778 968835305 /nfs/dbraw/zinc/83/53/05/968835305.db2.gz WPUVOXGJNHCHKK-RUXDESIVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H]1CCCCC1(C)C ZINC001252583846 968836913 /nfs/dbraw/zinc/83/69/13/968836913.db2.gz UMWDBSYGMIFNDB-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1ccc(C)cn1)C1CC1 ZINC001252583553 968837080 /nfs/dbraw/zinc/83/70/80/968837080.db2.gz NDRQZNIIUCTCRM-LSDHHAIUSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2ccc(F)cc2C1 ZINC001252584069 968837313 /nfs/dbraw/zinc/83/73/13/968837313.db2.gz XJDGESBNZRBYOT-LSDHHAIUSA-N 1 0 249.329 2.210 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CC(C)(C)Cc1cccnc1 ZINC001252583907 968837423 /nfs/dbraw/zinc/83/74/23/968837423.db2.gz VSVJSIIKPZFTBW-OAHLLOKOSA-N 1 0 248.370 2.177 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccc(C)cn1)C1CC1 ZINC001252583550 968837669 /nfs/dbraw/zinc/83/76/69/968837669.db2.gz NDRQZNIIUCTCRM-CABCVRRESA-N 1 0 246.354 2.368 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(F)cc1 ZINC001252586303 968839611 /nfs/dbraw/zinc/83/96/11/968839611.db2.gz FCAWZGSILHHOGU-ZDUSSCGKSA-N 1 0 223.291 2.242 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(F)cc1 ZINC001252586302 968840173 /nfs/dbraw/zinc/84/01/73/968840173.db2.gz FCAWZGSILHHOGU-CYBMUJFWSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H]1CSc2ccccc2C1 ZINC001252585385 968840230 /nfs/dbraw/zinc/84/02/30/968840230.db2.gz MZUZSMOEYQVZNM-JSGCOSHPSA-N 1 0 249.379 2.230 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccccc1F ZINC001252587887 968841993 /nfs/dbraw/zinc/84/19/93/968841993.db2.gz YDUNJDFGLLZLID-LBPRGKRZSA-N 1 0 223.291 2.242 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccnc(Cl)c1 ZINC001252589205 968845481 /nfs/dbraw/zinc/84/54/81/968845481.db2.gz KWMFVHALJMBJKZ-LLVKDONJSA-N 1 0 240.734 2.152 20 30 BEEDRO N#C[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C=C[C@@H]2C3)C1 ZINC001207628454 968846248 /nfs/dbraw/zinc/84/62/48/968846248.db2.gz HQSBWVMQYBCFBV-LOWDOPEQSA-N 1 0 202.301 2.044 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)CCC=C)C1 ZINC001207656625 968855039 /nfs/dbraw/zinc/85/50/39/968855039.db2.gz KANFNLROGOFGMT-CYBMUJFWSA-N 1 0 236.359 2.109 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(Br)CC2)C1 ZINC001207712032 968859486 /nfs/dbraw/zinc/85/94/86/968859486.db2.gz SGYIUMOSGOAJEB-RKDXNWHRSA-N 1 0 243.148 2.196 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCN(CC)CCCC ZINC001252612260 968867627 /nfs/dbraw/zinc/86/76/27/968867627.db2.gz KSLXFRIRLUDAKK-AWEZNQCLSA-N 1 0 242.407 2.025 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)C2CC=CC2)C1 ZINC001207729355 968868781 /nfs/dbraw/zinc/86/87/81/968868781.db2.gz URMYSVLLDNFRGK-AWEZNQCLSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCN(CC)CCCC ZINC001252612261 968869840 /nfs/dbraw/zinc/86/98/40/968869840.db2.gz KSLXFRIRLUDAKK-CQSZACIVSA-N 1 0 242.407 2.025 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]([S@@](C)=O)C1 ZINC001207732820 968870522 /nfs/dbraw/zinc/87/05/22/968870522.db2.gz PQWKWXKUNSAKLC-FUTJPDQTSA-N 1 0 229.389 2.230 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC001252614621 968871812 /nfs/dbraw/zinc/87/18/12/968871812.db2.gz NALBORGQOJWBRI-HNNXBMFYSA-N 1 0 244.338 2.017 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC[C@H](O)c1ccccc1 ZINC001252615955 968874153 /nfs/dbraw/zinc/87/41/53/968874153.db2.gz JAWSLFKUPWCEKI-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCc2cccnc21 ZINC001252616566 968874261 /nfs/dbraw/zinc/87/42/61/968874261.db2.gz QXHURNRITKNZKV-UONOGXRCSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cc(C(C)C)no1 ZINC001252616825 968874514 /nfs/dbraw/zinc/87/45/14/968874514.db2.gz UMOWYFFTWSLWDU-NSHDSACASA-N 1 0 238.331 2.215 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)CCCC(C)(C)O ZINC001252615714 968875390 /nfs/dbraw/zinc/87/53/90/968875390.db2.gz DGQZIHJVGROFBJ-CHWSQXEVSA-N 1 0 243.391 2.233 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001252617575 968877677 /nfs/dbraw/zinc/87/76/77/968877677.db2.gz FXBIQQNOKCBXMA-XUXIUFHCSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cn1 ZINC001252617747 968878506 /nfs/dbraw/zinc/87/85/06/968878506.db2.gz JMIPRYXEDFWELQ-STQMWFEESA-N 1 0 234.343 2.368 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)CCC=C)cc1 ZINC001252617568 968878671 /nfs/dbraw/zinc/87/86/71/968878671.db2.gz FUXFHKHOZCPRMO-HNNXBMFYSA-N 1 0 229.323 2.085 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(C)Cc2ccccc2C1 ZINC001252620320 968879226 /nfs/dbraw/zinc/87/92/26/968879226.db2.gz UFFGMWGOXKBJJS-OAHLLOKOSA-N 1 0 245.366 2.461 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC001252620201 968879442 /nfs/dbraw/zinc/87/94/42/968879442.db2.gz RWIPLQMIOSRJSY-NWDGAFQWSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCN(C(=O)/C(C)=C/C)C1 ZINC001207777395 968880540 /nfs/dbraw/zinc/88/05/40/968880540.db2.gz OXSBFMXAKAGTGO-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)COc1ccccc1 ZINC001252619575 968880993 /nfs/dbraw/zinc/88/09/93/968880993.db2.gz MZHIORVWWMWNBE-KGLIPLIRSA-N 1 0 249.354 2.371 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(C#N)CCOCC1 ZINC001207773516 968881471 /nfs/dbraw/zinc/88/14/71/968881471.db2.gz FGYOZURBVZLIKP-LBPRGKRZSA-N 1 0 249.358 2.225 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)C=C2CCC2)C1 ZINC001207783256 968881856 /nfs/dbraw/zinc/88/18/56/968881856.db2.gz XWJHKVDOAUATRI-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]CC1(CC2CC2)CC1 ZINC001252623534 968882271 /nfs/dbraw/zinc/88/22/71/968882271.db2.gz LNRAHDVNLHIHGX-ZDUSSCGKSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1COCc2ccccc21 ZINC001252621080 968883062 /nfs/dbraw/zinc/88/30/62/968883062.db2.gz VYIWMNMSJVNLLH-HIFRSBDPSA-N 1 0 247.338 2.175 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC001252621559 968883085 /nfs/dbraw/zinc/88/30/85/968883085.db2.gz DYAACXAKWZOVEO-QWHCGFSZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(COC)cc1 ZINC001252622684 968883798 /nfs/dbraw/zinc/88/37/98/968883798.db2.gz YRPCTXMSTCHYRD-OAHLLOKOSA-N 1 0 249.354 2.250 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNc1ncccc1C#N ZINC001207864890 968910168 /nfs/dbraw/zinc/91/01/68/968910168.db2.gz HWNVGYFMLMZTBZ-LBPRGKRZSA-N 1 0 244.342 2.309 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)/C=C(\C)CC)C1 ZINC001207985881 968967883 /nfs/dbraw/zinc/96/78/83/968967883.db2.gz AZTFZHLGGDQOGW-XSNHNAGMSA-N 1 0 236.359 2.109 20 30 BEEDRO N#CCC[N@H+](CCCn1cccn1)C1CCCC1 ZINC001208075465 968975832 /nfs/dbraw/zinc/97/58/32/968975832.db2.gz JGGJFLAYUYBPIQ-UHFFFAOYSA-N 1 0 246.358 2.431 20 30 BEEDRO CCC[C@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001252804064 968989578 /nfs/dbraw/zinc/98/95/78/968989578.db2.gz GMBVVTLXSUFLEC-AWEZNQCLSA-N 1 0 244.338 2.298 20 30 BEEDRO CC(C)(S)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC001253118407 969088933 /nfs/dbraw/zinc/08/89/33/969088933.db2.gz NCBGLVSAOAUKHA-ZDUSSCGKSA-N 1 0 239.384 2.192 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CCF ZINC001253248273 969123900 /nfs/dbraw/zinc/12/39/00/969123900.db2.gz SXASIXAIAYCBKM-GFCCVEGCSA-N 1 0 217.328 2.433 20 30 BEEDRO C#CCN1CC[NH+](C[C@@H]2CCC(C)=C[C@H]2C)CC1 ZINC001208181526 969112730 /nfs/dbraw/zinc/11/27/30/969112730.db2.gz NGWRVTUVVRDSQN-CVEARBPZSA-N 1 0 246.398 2.230 20 30 BEEDRO C#CC[NH+](CC#C)C[C@H](O)CCCCCCC=C ZINC001253242424 969120207 /nfs/dbraw/zinc/12/02/07/969120207.db2.gz KLYHIIRISMEQJC-MRXNPFEDSA-N 1 0 247.382 2.442 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]C[C@@H]1CCO1 ZINC001253248920 969122935 /nfs/dbraw/zinc/12/29/35/969122935.db2.gz CTAVXQYLDPCGLS-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C#CCC[NH2+]C[C@H](O)CCCCCCC=C ZINC001253249554 969123737 /nfs/dbraw/zinc/12/37/37/969123737.db2.gz AQUWYHCCPZRHAY-CQSZACIVSA-N 1 0 223.360 2.487 20 30 BEEDRO C=CCCCCCC[C@H](O)C[NH2+]CC[C@H](C)O ZINC001253256272 969124662 /nfs/dbraw/zinc/12/46/62/969124662.db2.gz UISJJPSVQLBXMH-KBPBESRZSA-N 1 0 243.391 2.234 20 30 BEEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001208351233 969139380 /nfs/dbraw/zinc/13/93/80/969139380.db2.gz ZZRLPOHHJNNMBN-PISUUVGWSA-N 1 0 248.370 2.131 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CN(CCC#N)C2CCCC2)C1 ZINC001208610146 969169204 /nfs/dbraw/zinc/16/92/04/969169204.db2.gz YWUCQJCXBFOVGF-CQSZACIVSA-N 1 0 249.402 2.486 20 30 BEEDRO C[N@@H+]1CCC[C@H](CN(CCC#N)C2CCCC2)C1 ZINC001208610145 969170609 /nfs/dbraw/zinc/17/06/09/969170609.db2.gz YWUCQJCXBFOVGF-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO C=CCC[NH2+]CCCC[C@@H](C)NC(=O)C(F)F ZINC001168779263 969187920 /nfs/dbraw/zinc/18/79/20/969187920.db2.gz WURGIQBLIVEXBD-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)CCCCC ZINC001253561793 969232185 /nfs/dbraw/zinc/23/21/85/969232185.db2.gz ZICSSQZNDBLLDY-CYBMUJFWSA-N 1 0 211.349 2.321 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+]Cc1cc(C#N)co1 ZINC001253563593 969233036 /nfs/dbraw/zinc/23/30/36/969233036.db2.gz KVWDUPCJPCJAAJ-GFCCVEGCSA-N 1 0 236.315 2.182 20 30 BEEDRO C[N@H+]1CC=C(Nc2csc(C#N)c2)CC1 ZINC001208802451 969241581 /nfs/dbraw/zinc/24/15/81/969241581.db2.gz LNRFNHYFASXYFP-UHFFFAOYSA-N 1 0 219.313 2.251 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC001253578510 969251352 /nfs/dbraw/zinc/25/13/52/969251352.db2.gz CQDVLGNUKBGGSS-VXGBXAGGSA-N 1 0 235.302 2.162 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(c2ccccc2)CC1 ZINC001253576620 969251854 /nfs/dbraw/zinc/25/18/54/969251854.db2.gz MSUUJHHFOLVMLE-OAHLLOKOSA-N 1 0 231.339 2.413 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCc1cccc(Cl)c1 ZINC001253579925 969254928 /nfs/dbraw/zinc/25/49/28/969254928.db2.gz VFYTWWXZWFTRGV-CYBMUJFWSA-N 1 0 239.746 2.361 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccc(C)nc1 ZINC001253580911 969255439 /nfs/dbraw/zinc/25/54/39/969255439.db2.gz AUDMJIAELLYOMB-ZIAGYGMSSA-N 1 0 232.327 2.074 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001253579961 969258002 /nfs/dbraw/zinc/25/80/02/969258002.db2.gz VKVGWUXFTHIICU-IHXHZNKUSA-N 1 0 235.371 2.434 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC001253580956 969258470 /nfs/dbraw/zinc/25/84/70/969258470.db2.gz BCRLIHUGNAIYEZ-TZMCWYRMSA-N 1 0 235.302 2.162 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)C=C ZINC001253584444 969259730 /nfs/dbraw/zinc/25/97/30/969259730.db2.gz NEQMMIIFZQBZCX-AWEZNQCLSA-N 1 0 217.312 2.222 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCC=CO1 ZINC001208880841 969271788 /nfs/dbraw/zinc/27/17/88/969271788.db2.gz PMPIXYHSFCYZFT-YIYPIFLZSA-N 1 0 232.327 2.446 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](CC)Cc1ccc(N(C)C)cc1 ZINC001253586902 969273570 /nfs/dbraw/zinc/27/35/70/969273570.db2.gz USDUIWCXNIPWQY-OAHLLOKOSA-N 1 0 248.370 2.121 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(c2cccc(O)c2)CC1 ZINC001253586769 969273963 /nfs/dbraw/zinc/27/39/63/969273963.db2.gz RVHVYJRQZNSDAN-CQSZACIVSA-N 1 0 247.338 2.119 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001253589822 969276508 /nfs/dbraw/zinc/27/65/08/969276508.db2.gz QSOAKXCSVXTTTP-CABCVRRESA-N 1 0 249.329 2.380 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1F ZINC001253597047 969287960 /nfs/dbraw/zinc/28/79/60/969287960.db2.gz AJJDIPOPZNYTSH-JTQLQIEISA-N 1 0 229.682 2.116 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)C=C(C)C ZINC001168950962 969289208 /nfs/dbraw/zinc/28/92/08/969289208.db2.gz GQHWUJWSQLKFMZ-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)COc1cc(C)cc(C)c1 ZINC001253598995 969292207 /nfs/dbraw/zinc/29/22/07/969292207.db2.gz CSUSUISVYPOWRT-KBPBESRZSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCCc1c[nH]c2ccccc12 ZINC001253600884 969294814 /nfs/dbraw/zinc/29/48/14/969294814.db2.gz HELDSFUJJHTEAD-ZDUSSCGKSA-N 1 0 244.338 2.237 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCN(CCCC)CCCC ZINC001253601075 969296687 /nfs/dbraw/zinc/29/66/87/969296687.db2.gz KZQONXZGRMYETO-CQSZACIVSA-N 1 0 242.407 2.025 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc2occc2c1 ZINC001253601580 969297006 /nfs/dbraw/zinc/29/70/06/969297006.db2.gz SMDVIBMHDSBVBG-GFCCVEGCSA-N 1 0 217.268 2.069 20 30 BEEDRO C[C@H](CN1CC[C@H](C#N)C1)C(F)(F)F ZINC001208905329 969297583 /nfs/dbraw/zinc/29/75/83/969297583.db2.gz NOCHKKTVKOUYCE-HTQZYQBOSA-N 1 0 206.211 2.030 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)Cc1ccc(Cl)cc1 ZINC001253605084 969302408 /nfs/dbraw/zinc/30/24/08/969302408.db2.gz OZZXUDGWJDMELD-GXFFZTMASA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCCc2c(F)cccc21 ZINC001253606270 969302468 /nfs/dbraw/zinc/30/24/68/969302468.db2.gz DTMAKTIQXPBFDE-IINYFYTJSA-N 1 0 235.302 2.340 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CC(C)(C)C(=O)CC)C1 ZINC001208920646 969304423 /nfs/dbraw/zinc/30/44/23/969304423.db2.gz OJFMFWULVXLGCJ-GFCCVEGCSA-N 1 0 221.344 2.337 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC001253608596 969307804 /nfs/dbraw/zinc/30/78/04/969307804.db2.gz CVNNMRRXMQPUCG-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1cccc(Cl)c1F ZINC001253610430 969310500 /nfs/dbraw/zinc/31/05/00/969310500.db2.gz SLUVGOQDVLJNKZ-JTQLQIEISA-N 1 0 243.709 2.158 20 30 BEEDRO Cc1cc(C#N)cc(NC2=CC[N@H+](C)CC2)c1 ZINC001208980177 969310864 /nfs/dbraw/zinc/31/08/64/969310864.db2.gz QXEOAYDOTRFREN-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1ccc(Cl)s1 ZINC001253610496 969311972 /nfs/dbraw/zinc/31/19/72/969311972.db2.gz FFCNLVQUAONTSA-MRVPVSSYSA-N 1 0 231.748 2.081 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccccc1C ZINC001253610679 969313702 /nfs/dbraw/zinc/31/37/02/969313702.db2.gz VSPRJBYAIXFOGP-GFCCVEGCSA-N 1 0 219.328 2.367 20 30 BEEDRO CC(C)(C)C#CC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987031 969342676 /nfs/dbraw/zinc/34/26/76/969342676.db2.gz HEOYFTHVHYNXRO-NEPJUHHUSA-N 1 0 238.331 2.071 20 30 BEEDRO Cc1cnc(C[NH3+])n1-c1ccc(CC#N)cc1C ZINC001169028913 969349175 /nfs/dbraw/zinc/34/91/75/969349175.db2.gz LAIHMTUPTZEAJY-UHFFFAOYSA-N 1 0 240.310 2.014 20 30 BEEDRO CCC[N@H+](CCC#N)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036666 969355957 /nfs/dbraw/zinc/35/59/57/969355957.db2.gz PNVRXDPKZDYMAY-RYUDHWBXSA-N 1 0 239.319 2.057 20 30 BEEDRO C=CCCC[NH+]1CC2(C1)C[C@@H](F)CS2 ZINC001209162655 969360415 /nfs/dbraw/zinc/36/04/15/969360415.db2.gz KBLJCJJGGWHXAF-SNVBAGLBSA-N 1 0 215.337 2.482 20 30 BEEDRO C=CCCCN1CC[C@H]([NH+]2CCCC2)[C@@H](F)C1 ZINC001209164424 969363854 /nfs/dbraw/zinc/36/38/54/969363854.db2.gz CNFKWJYLBSECBK-KBPBESRZSA-N 1 0 240.366 2.461 20 30 BEEDRO C=CCCC[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001209163639 969364635 /nfs/dbraw/zinc/36/46/35/969364635.db2.gz GJXSQRFJYBSTBV-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCC2(C1)OCCO2 ZINC001209163989 969365032 /nfs/dbraw/zinc/36/50/32/969365032.db2.gz QFFITQZENRRISU-GFCCVEGCSA-N 1 0 225.332 2.180 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCC2(C1)OCCO2 ZINC001209163990 969365255 /nfs/dbraw/zinc/36/52/55/969365255.db2.gz QFFITQZENRRISU-LBPRGKRZSA-N 1 0 225.332 2.180 20 30 BEEDRO CCC[N@H+](CCC#N)CC1COC(C)(C)OC1 ZINC001209197988 969383843 /nfs/dbraw/zinc/38/38/43/969383843.db2.gz CBHDFCSXRQQQNZ-UHFFFAOYSA-N 1 0 240.347 2.011 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H]1C(=O)OCC ZINC001209204995 969394439 /nfs/dbraw/zinc/39/44/39/969394439.db2.gz NWOCBOHSKHYIPE-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2C ZINC001169079222 969396350 /nfs/dbraw/zinc/39/63/50/969396350.db2.gz KBWPFQNTCPPNPQ-ZSOGYDGISA-N 1 0 234.387 2.393 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C(=O)OC)C2(CC2)C1 ZINC001209208192 969397901 /nfs/dbraw/zinc/39/79/01/969397901.db2.gz MCZWSKOLSHPYTK-GFCCVEGCSA-N 1 0 237.343 2.228 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H](Oc2ccncc2)C1 ZINC001209268322 969418889 /nfs/dbraw/zinc/41/88/89/969418889.db2.gz YLIHUPANBTVNDO-HNNXBMFYSA-N 1 0 244.338 2.338 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@H](C(=O)OCC)[C@H]1C ZINC001209266573 969419007 /nfs/dbraw/zinc/41/90/07/969419007.db2.gz XXMOOEAMFBXPIT-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(=O)OCCCC)C1 ZINC001209268587 969419799 /nfs/dbraw/zinc/41/97/99/969419799.db2.gz NUJYUJCLNRAOGW-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)OCC ZINC001209269668 969422033 /nfs/dbraw/zinc/42/20/33/969422033.db2.gz NIAPKMSIZLBHAC-IHRRRGAJSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@](C)(C(=O)OCC)C1 ZINC001209269349 969422797 /nfs/dbraw/zinc/42/27/97/969422797.db2.gz GPQDYTNLZTWCIW-CQSZACIVSA-N 1 0 237.343 2.065 20 30 BEEDRO COc1cc(CC[NH2+]C#C[Si](C)(C)C)ccn1 ZINC001169223593 969493332 /nfs/dbraw/zinc/49/33/32/969493332.db2.gz XAGJHBBDIMAVMW-UHFFFAOYSA-N 1 0 248.402 2.061 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCn2cnnc2C1 ZINC001209431647 969504478 /nfs/dbraw/zinc/50/44/78/969504478.db2.gz RBVVTTCLJIHSOL-UHFFFAOYSA-N 1 0 234.347 2.230 20 30 BEEDRO C[C@H]([NH3+])c1ccn(-c2cccc(CC#N)c2F)n1 ZINC001169232065 969506437 /nfs/dbraw/zinc/50/64/37/969506437.db2.gz ZWHOZURZDXLODW-VIFPVBQESA-N 1 0 244.273 2.097 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2c(cn1)OCCC2 ZINC001209508612 969530369 /nfs/dbraw/zinc/53/03/69/969530369.db2.gz RPJWULGHZNOPHE-UHFFFAOYSA-N 1 0 218.300 2.024 20 30 BEEDRO C#CC1([NH2+][C@@H]2CCCOC2)CCCCC1 ZINC001254374868 969591243 /nfs/dbraw/zinc/59/12/43/969591243.db2.gz MTHADMRHQMMHTR-GFCCVEGCSA-N 1 0 207.317 2.091 20 30 BEEDRO C=CC[N@@H+](C)Cc1cn(C)c2ncccc12 ZINC001209751049 969605889 /nfs/dbraw/zinc/60/58/89/969605889.db2.gz XLXVCZYEPOPZJR-UHFFFAOYSA-N 1 0 215.300 2.191 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)CC(CC)CC ZINC001169371568 969616335 /nfs/dbraw/zinc/61/63/35/969616335.db2.gz UBPYGADOVMDZDC-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](C)[C@H](C)CC ZINC001169385950 969619902 /nfs/dbraw/zinc/61/99/02/969619902.db2.gz MGFYLUIXBXPJAR-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H](CC)CCC ZINC001169428176 969643819 /nfs/dbraw/zinc/64/38/19/969643819.db2.gz WSWNFIIVNXMVCY-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C[N@@H+]1CCC[C@H](NCC2(C#N)CCCC2)CC1 ZINC001254498330 969663423 /nfs/dbraw/zinc/66/34/23/969663423.db2.gz VWKXKDBHOYTHQI-ZDUSSCGKSA-N 1 0 235.375 2.144 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NCc2csc(C#N)c2)CC1 ZINC001254509979 969679859 /nfs/dbraw/zinc/67/98/59/969679859.db2.gz KYIIHGNQSQSMPE-GFCCVEGCSA-N 1 0 249.383 2.194 20 30 BEEDRO CCC(C#N)(CC)N[C@@H]1CCC[N@H+](C)CC1 ZINC001254511993 969682096 /nfs/dbraw/zinc/68/20/96/969682096.db2.gz IFFQWWVWPPVVRR-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO CCCCN(CC#N)[C@H]1CCC[N@H+](C)CC1 ZINC001254530367 969729575 /nfs/dbraw/zinc/72/95/75/969729575.db2.gz WPQOBLBFJFGBLI-ZDUSSCGKSA-N 1 0 223.364 2.096 20 30 BEEDRO C#CC[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC001254609185 969740089 /nfs/dbraw/zinc/74/00/89/969740089.db2.gz NMSWNNZTGDIILY-UHFFFAOYSA-N 1 0 232.302 2.017 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1ccc(C#N)c(C#N)c1 ZINC001209970587 969741383 /nfs/dbraw/zinc/74/13/83/969741383.db2.gz ZKUBJCKKIUXQNC-UHFFFAOYSA-N 1 0 249.277 2.459 20 30 BEEDRO CCOC(=O)CC(C)(C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC001254634272 969749261 /nfs/dbraw/zinc/74/92/61/969749261.db2.gz ARIBWZFQISAUBA-WDEREUQCSA-N 1 0 238.331 2.000 20 30 BEEDRO CC(C)c1nc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)no1 ZINC001254634489 969751055 /nfs/dbraw/zinc/75/10/55/969751055.db2.gz GWNCSGWDKFWTBW-GHMZBOCLSA-N 1 0 248.330 2.017 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cnc3ccccn23)C1 ZINC001254635932 969754564 /nfs/dbraw/zinc/75/45/64/969754564.db2.gz UMFBBDCRSWXCTN-RYUDHWBXSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(c3ccccn3)CC2)C1 ZINC001254643198 969757954 /nfs/dbraw/zinc/75/79/54/969757954.db2.gz NFCCUMMLOXTPCW-NEPJUHHUSA-N 1 0 227.311 2.353 20 30 BEEDRO Cc1cccc(NCC[C@H]2CCC[NH2+]2)c1C#N ZINC001169563759 969758385 /nfs/dbraw/zinc/75/83/85/969758385.db2.gz AHMXPLJYTCWYRC-GFCCVEGCSA-N 1 0 229.327 2.421 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C23CCC(O)(CC2)CC3)C1 ZINC001254644429 969758577 /nfs/dbraw/zinc/75/85/77/969758577.db2.gz SDCWHFWDZLEVFM-MRFVTOPCSA-N 1 0 234.343 2.106 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ncccc32)C1 ZINC001254646563 969760404 /nfs/dbraw/zinc/76/04/04/969760404.db2.gz NEVNXZFSYFCPKP-SUNKGSAMSA-N 1 0 227.311 2.351 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001254645545 969760413 /nfs/dbraw/zinc/76/04/13/969760413.db2.gz DMYYXHIZRNFZCB-WDEREUQCSA-N 1 0 244.294 2.066 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2Oc3ccccc3O2)C1 ZINC001254645541 969760494 /nfs/dbraw/zinc/76/04/94/969760494.db2.gz DMYYXHIZRNFZCB-GHMZBOCLSA-N 1 0 244.294 2.066 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)c1nccs1 ZINC001254647329 969760768 /nfs/dbraw/zinc/76/07/68/969760768.db2.gz GBVVXCJFTUAKAN-BBBLOLIVSA-N 1 0 221.329 2.486 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H](CO)c2ccc(F)cc2)C1 ZINC001254646824 969760886 /nfs/dbraw/zinc/76/08/86/969760886.db2.gz PCZGPLJIMZJONR-BPNCWPANSA-N 1 0 248.301 2.141 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2C[C@H](C[NH3+])c3ccccc32)C1 ZINC001254648020 969762596 /nfs/dbraw/zinc/76/25/96/969762596.db2.gz XCGOSTFXDINNBE-FRRDWIJNSA-N 1 0 241.338 2.241 20 30 BEEDRO N#C[C@H]1CC[C@H](NC(=[NH2+])c2cccnc2Cl)C1 ZINC001254647812 969762740 /nfs/dbraw/zinc/76/27/40/969762740.db2.gz VVXCNDFIMQEOMV-IUCAKERBSA-N 1 0 248.717 2.342 20 30 BEEDRO N#C[C@@H]1CC[C@H](n2c(C[NH3+])cc3ccncc32)C1 ZINC001254650819 969763426 /nfs/dbraw/zinc/76/34/26/969763426.db2.gz XUCXVTXGVHENPS-PWSUYJOCSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cncn2CC2CC2)C1 ZINC001254650103 969763431 /nfs/dbraw/zinc/76/34/31/969763431.db2.gz XKJNXWLFHDQIKZ-STQMWFEESA-N 1 0 244.342 2.075 20 30 BEEDRO CCC[N@H+](CCOC)[C@@H]1CC[C@H](C#N)C1 ZINC001254652221 969763557 /nfs/dbraw/zinc/76/35/57/969763557.db2.gz BGHSQYDGAAALOF-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@@H]3CC[C@H]2C3)C1 ZINC001254655461 969765698 /nfs/dbraw/zinc/76/56/98/969765698.db2.gz DKUNDVKQFCHEJX-KSSYENDESA-N 1 0 204.317 2.457 20 30 BEEDRO N#CCC1([NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC001254654591 969765726 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N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3ncccc3C2)C1 ZINC001254667911 969773999 /nfs/dbraw/zinc/77/39/99/969773999.db2.gz FARYWXFUCJYNMI-DGCLKSJQSA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@]3(C2)CCCCO3)C1 ZINC001254661825 969775444 /nfs/dbraw/zinc/77/54/44/969775444.db2.gz YCUIIOZJSMUXLY-MGPQQGTHSA-N 1 0 234.343 2.324 20 30 BEEDRO CC[N@H+]([C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC001254667146 969775885 /nfs/dbraw/zinc/77/58/85/969775885.db2.gz AGEIFPGTNWGSJI-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1cc2c(cn1)C[N@@H+]([C@H]1CC[C@@H](C#N)C1)C2 ZINC001254671893 969778132 /nfs/dbraw/zinc/77/81/32/969778132.db2.gz WFPCBRIHFFRAMO-RISCZKNCSA-N 1 0 227.311 2.398 20 30 BEEDRO CCOCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254671606 969778283 /nfs/dbraw/zinc/77/82/83/969778283.db2.gz SLCCKSACWAOWIZ-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CC[C@H]3OCCC[C@@H]3C2)C1 ZINC001254679708 969784323 /nfs/dbraw/zinc/78/43/23/969784323.db2.gz PDWNQAKNQYVGCJ-RFQIPJPRSA-N 1 0 234.343 2.180 20 30 BEEDRO C=CC[N@@H+]([C@@H]1CCCN(C(C)=O)C1)C(C)(C)C ZINC001169630762 969793384 /nfs/dbraw/zinc/79/33/84/969793384.db2.gz QUWBQRUMLJLDKS-CYBMUJFWSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)OCC)CC1 ZINC001169644986 969798038 /nfs/dbraw/zinc/79/80/38/969798038.db2.gz KPUDKYHERAOKSN-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO Cc1cccc2c1[nH+]c(N)n2-c1cccnc1C#N ZINC001210139616 969808945 /nfs/dbraw/zinc/80/89/45/969808945.db2.gz BZBXVNLLTMJMSW-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO CC1(C#N)CC[NH+]([C@H]2CC3CCN(CC3)C2)CC1 ZINC001254859090 969811993 /nfs/dbraw/zinc/81/19/93/969811993.db2.gz AZGVUCSYWPYMPE-AWEZNQCLSA-N 1 0 247.386 2.096 20 30 BEEDRO N#CC1(C[NH2+]C2C[C@@H]3CC(=O)C[C@H]3C2)CCC1 ZINC001254914803 969815265 /nfs/dbraw/zinc/81/52/65/969815265.db2.gz OFVVRHRMMVLZIC-GHMZBOCLSA-N 1 0 232.327 2.028 20 30 BEEDRO Cc1cccc(-n2ccc(C[NH3+])c2)c1C#N ZINC001169725262 969818537 /nfs/dbraw/zinc/81/85/37/969818537.db2.gz DFQSJNUEKXZHDD-UHFFFAOYSA-N 1 0 211.268 2.116 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1C[C@@H]2CC(=O)C[C@@H]2C1 ZINC001254929378 969824288 /nfs/dbraw/zinc/82/42/88/969824288.db2.gz RJTURYQUCGBQML-KXNHARMFSA-N 1 0 220.316 2.026 20 30 BEEDRO C=CCc1cc(C)cnc1-n1ccc(C[NH3+])c1 ZINC001169723620 969834083 /nfs/dbraw/zinc/83/40/83/969834083.db2.gz XVPNHBZIIFUTQY-UHFFFAOYSA-N 1 0 227.311 2.368 20 30 BEEDRO CCC[N@H+](CCC#N)C1C[C@@H]2CC(=O)C[C@H]2C1 ZINC001254954618 969837143 /nfs/dbraw/zinc/83/71/43/969837143.db2.gz SDDSCRSDNYEQLL-VXGBXAGGSA-N 1 0 234.343 2.370 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@H]3CC(=O)C[C@@H]3C2)C1 ZINC001254956261 969840500 /nfs/dbraw/zinc/84/05/00/969840500.db2.gz HQBYSZMBCLHJGZ-AGIUHOORSA-N 1 0 231.339 2.089 20 30 BEEDRO SCCC[NH2+]C1Cc2ccccc2C1 ZINC001255014664 969846420 /nfs/dbraw/zinc/84/64/20/969846420.db2.gz FVBQYPTTYPTPID-UHFFFAOYSA-N 1 0 207.342 2.063 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC001255026354 969850802 /nfs/dbraw/zinc/85/08/02/969850802.db2.gz VSIREPPNBQWFOV-HNNXBMFYSA-N 1 0 226.323 2.389 20 30 BEEDRO C=C[C@@H](CO)Nc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC001169784490 969858930 /nfs/dbraw/zinc/85/89/30/969858930.db2.gz XVLOOLMDPVPPON-GXTWGEPZSA-N 1 0 232.327 2.070 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCC ZINC001109043037 969924286 /nfs/dbraw/zinc/92/42/86/969924286.db2.gz JILCLUXVPCRDJN-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO C#CC1([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC001255103048 969934214 /nfs/dbraw/zinc/93/42/14/969934214.db2.gz RLVCGFCOMMMJFX-HNNXBMFYSA-N 1 0 240.350 2.016 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](C#N)CC1 ZINC001255156781 969944284 /nfs/dbraw/zinc/94/42/84/969944284.db2.gz RYJNTQOHAIQTOU-SRVKXCTJSA-N 1 0 205.305 2.351 20 30 BEEDRO CCOC(CC[NH2+][C@H](CC)CC#N)OCC ZINC001255155813 969953344 /nfs/dbraw/zinc/95/33/44/969953344.db2.gz USMQFSLZRPVXBY-LLVKDONJSA-N 1 0 228.336 2.057 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc(O)cc1 ZINC001255152528 969955634 /nfs/dbraw/zinc/95/56/34/969955634.db2.gz WEXPYLSOOIYGRJ-LBPRGKRZSA-N 1 0 218.300 2.217 20 30 BEEDRO CC[C@H](CC#N)n1ccc2cc(C[NH3+])cnc21 ZINC001255153361 969961075 /nfs/dbraw/zinc/96/10/75/969961075.db2.gz VLCYBRNDSWAZPZ-GFCCVEGCSA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@@H](CO)c1ccccc1 ZINC001255164556 969977347 /nfs/dbraw/zinc/97/73/47/969977347.db2.gz OFOQTVGQLVXZOA-UONOGXRCSA-N 1 0 232.327 2.044 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC001255166636 969981267 /nfs/dbraw/zinc/98/12/67/969981267.db2.gz NMKHONRNMZJABR-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001255173341 969986372 /nfs/dbraw/zinc/98/63/72/969986372.db2.gz KSJVHHPYCIUGRQ-ZJUUUORDSA-N 1 0 214.259 2.410 20 30 BEEDRO CC[C@@H](CC#N)n1nc(C)c(CC[NH2+]C)c1C ZINC001255175005 969989213 /nfs/dbraw/zinc/98/92/13/969989213.db2.gz LKJYTJJILJOIKT-LBPRGKRZSA-N 1 0 234.347 2.127 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@@H](OC)C[C@H]1C ZINC001255177045 969992186 /nfs/dbraw/zinc/99/21/86/969992186.db2.gz LHKLRZFUYIUGDF-GRYCIOLGSA-N 1 0 210.321 2.178 20 30 BEEDRO CC[C@@H](CC#N)N1CCC[C@@H](c2nnc(C)o2)C1 ZINC001255175664 969993749 /nfs/dbraw/zinc/99/37/49/969993749.db2.gz SUPZVKLWDKKPKZ-NEPJUHHUSA-N 1 0 248.330 2.250 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000829811193 970006126 /nfs/dbraw/zinc/00/61/26/970006126.db2.gz ZLCJBBSTHCUCIB-MCIONIFRSA-N 1 0 216.328 2.414 20 30 BEEDRO N#Cc1cccc(OCC[NH2+][C@H]2CCSC2)c1 ZINC001255276193 970029904 /nfs/dbraw/zinc/02/99/04/970029904.db2.gz GZJMKBMKZPPKKN-LBPRGKRZSA-N 1 0 248.351 2.032 20 30 BEEDRO Cc1cc(Nc2cc[nH+]c(CO)c2)ccc1C#N ZINC001210806183 970044706 /nfs/dbraw/zinc/04/47/06/970044706.db2.gz UGITXKHOGJZUCO-UHFFFAOYSA-N 1 0 239.278 2.498 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@@H](C)CCCC ZINC001255313977 970081610 /nfs/dbraw/zinc/08/16/10/970081610.db2.gz TYFAUVMANZJTMP-NSHDSACASA-N 1 0 213.321 2.274 20 30 BEEDRO C=C(C)c1ccc(N(C)C(C)(C)C[NH3+])nc1 ZINC001170056341 970096956 /nfs/dbraw/zinc/09/69/56/970096956.db2.gz UXLLIWCJYWCFKB-UHFFFAOYSA-N 1 0 219.332 2.288 20 30 BEEDRO CN(c1cccc(CC#N)c1F)C(C)(C)C[NH3+] ZINC001170059124 970109633 /nfs/dbraw/zinc/10/96/33/970109633.db2.gz MXXKMOPXZLKYGB-UHFFFAOYSA-N 1 0 235.306 2.065 20 30 BEEDRO C=CCN1CC[NH+]([C@@H](C)CCCC)CC1 ZINC001255328012 970109554 /nfs/dbraw/zinc/10/95/54/970109554.db2.gz FGURBMMITNRAGT-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001170065222 970133526 /nfs/dbraw/zinc/13/35/26/970133526.db2.gz YNBKFQGXUQIUCT-SRVKXCTJSA-N 1 0 242.363 2.027 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)/C(C)=C/C ZINC001170066159 970136177 /nfs/dbraw/zinc/13/61/77/970136177.db2.gz FMWTWYFCMDBFBA-XEVNVYFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@@H]1CC[N@@H+](C)C1 ZINC001255439760 970167863 /nfs/dbraw/zinc/16/78/63/970167863.db2.gz WXZKQRVNLLKJBA-OAHLLOKOSA-N 1 0 230.355 2.379 20 30 BEEDRO Cn1c[nH+]cc1Nc1cc(F)cc(F)c1C#N ZINC001211253454 970198700 /nfs/dbraw/zinc/19/87/00/970198700.db2.gz GYKWUFOCKPJJHR-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO C#Cc1cccc(Nc2cc[nH+]cc2OC)c1 ZINC001211260406 970202210 /nfs/dbraw/zinc/20/22/10/970202210.db2.gz MJPCCOKSOZUSLI-UHFFFAOYSA-N 1 0 224.263 2.237 20 30 BEEDRO COc1c[nH+]ccc1Nc1scc(C)c1C#N ZINC001211257737 970205738 /nfs/dbraw/zinc/20/57/38/970205738.db2.gz OFZDLIMMXKVULG-UHFFFAOYSA-N 1 0 245.307 2.497 20 30 BEEDRO C=C(C)CCC(=O)N1CC[NH+](CCCC)CC1 ZINC001112904405 970208599 /nfs/dbraw/zinc/20/85/99/970208599.db2.gz SJYKWUJFGCGWFK-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C#CC1([NH2+][C@H]2CCCN(C)C2)CCCCC1 ZINC001255476294 970213399 /nfs/dbraw/zinc/21/33/99/970213399.db2.gz CBNZSKJQSANGGB-ZDUSSCGKSA-N 1 0 220.360 2.006 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H]1CCCCN1C(C)=O ZINC001157400994 970247453 /nfs/dbraw/zinc/24/74/53/970247453.db2.gz QBPRZKBYLOTFMK-CQSZACIVSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001255527972 970288061 /nfs/dbraw/zinc/28/80/61/970288061.db2.gz BVWLZKPUNYUTCF-DGCLKSJQSA-N 1 0 209.333 2.336 20 30 BEEDRO COC[C@H](C)[NH2+]C1(c2ccc(C#N)cc2)CC1 ZINC001255560329 970339532 /nfs/dbraw/zinc/33/95/32/970339532.db2.gz PKOLUWQTNBOHMN-NSHDSACASA-N 1 0 230.311 2.172 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001170119739 970351623 /nfs/dbraw/zinc/35/16/23/970351623.db2.gz BWJVHSKFLAVXSR-MWLCHTKSSA-N 1 0 204.273 2.429 20 30 BEEDRO COC[C@@H](C)[N@H+](CCC#N)C1CCCC1 ZINC001255575724 970371505 /nfs/dbraw/zinc/37/15/05/970371505.db2.gz GPMQMVOEWCKMHT-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C=CCCCC(=O)N1CC[NH+](CCC=C)CC1 ZINC001113283449 970400967 /nfs/dbraw/zinc/40/09/67/970400967.db2.gz LGQMMSCUEVZMFR-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CC1CCCC1)CC1CC1 ZINC001255648544 970426666 /nfs/dbraw/zinc/42/66/66/970426666.db2.gz HWGYQUAOZZHTLO-HNNXBMFYSA-N 1 0 235.371 2.273 20 30 BEEDRO CCN(CCC#N)C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001255679929 970455197 /nfs/dbraw/zinc/45/51/97/970455197.db2.gz ASAIDQZFCLWUDY-PBWFPOADSA-N 1 0 235.375 2.237 20 30 BEEDRO Cc1[nH+]cc(Nc2cc(C#N)ccc2F)n1C ZINC001214596149 970516110 /nfs/dbraw/zinc/51/61/10/970516110.db2.gz QEZFMZCUMDPORG-UHFFFAOYSA-N 1 0 230.246 2.483 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]CCCCC#N)CCO1 ZINC001170170987 970535739 /nfs/dbraw/zinc/53/57/39/970535739.db2.gz WETJNWCQMZQNRW-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CCCCC#N)CCO1 ZINC001170170988 970538926 /nfs/dbraw/zinc/53/89/26/970538926.db2.gz WETJNWCQMZQNRW-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)S)CCO1 ZINC001170177109 970552380 /nfs/dbraw/zinc/55/23/80/970552380.db2.gz FGJGUYZYVLKDCZ-NXEZZACHSA-N 1 0 217.378 2.242 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)N[C@@](C)(C#N)CC ZINC001255946833 970563780 /nfs/dbraw/zinc/56/37/80/970563780.db2.gz JNFSJBZAGCQGIZ-QWHCGFSZSA-N 1 0 225.380 2.389 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCC[C@H]1CCOC1 ZINC000400557085 970600179 /nfs/dbraw/zinc/60/01/79/970600179.db2.gz BRAXSHDWFITTSR-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO CC[C@H]1C[C@@H]([NH+]2CCC(S)CC2)CCO1 ZINC001170225592 970623991 /nfs/dbraw/zinc/62/39/91/970623991.db2.gz AAFPPFXAJICSEE-QWRGUYRKSA-N 1 0 229.389 2.338 20 30 BEEDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000400793219 970628979 /nfs/dbraw/zinc/62/89/79/970628979.db2.gz VPCBQPSSIPHSMO-MFKMUULPSA-N 1 0 245.326 2.260 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1cccc(OC)c1 ZINC001256151966 970673733 /nfs/dbraw/zinc/67/37/33/970673733.db2.gz RHVBENVGPYVCHK-VXGBXAGGSA-N 1 0 217.312 2.238 20 30 BEEDRO C[NH+]1CCC(N[C@H](C#N)c2ccc(F)cc2)CC1 ZINC001256196494 970689426 /nfs/dbraw/zinc/68/94/26/970689426.db2.gz OPCAGGLPIFJEDZ-CQSZACIVSA-N 1 0 247.317 2.074 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000401924258 970748214 /nfs/dbraw/zinc/74/82/14/970748214.db2.gz FCXGILHXVCSFTJ-LLVKDONJSA-N 1 0 205.305 2.343 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+]CCC[C@H]1CCOC1 ZINC000402090230 970759108 /nfs/dbraw/zinc/75/91/08/970759108.db2.gz SIQRFPBGYFFXAT-INIZCTEOSA-N 1 0 243.350 2.444 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1 ZINC001327448071 972578789 /nfs/dbraw/zinc/57/87/89/972578789.db2.gz CLQBGIPUTMFIDR-ZDUSSCGKSA-N 1 0 236.359 2.073 20 30 BEEDRO N#C[C@H]1CCCN(Cc2ccc3cc[nH]c3n2)C1 ZINC001144179597 972650080 /nfs/dbraw/zinc/65/00/80/972650080.db2.gz KUXCHQKQZCFHHG-LLVKDONJSA-N 1 0 240.310 2.298 20 30 BEEDRO N#C[C@@H]1CCCN(Cc2ccc3cc[nH]c3n2)C1 ZINC001144179598 972650762 /nfs/dbraw/zinc/65/07/62/972650762.db2.gz KUXCHQKQZCFHHG-NSHDSACASA-N 1 0 240.310 2.298 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)OCc1ccnc(C#N)c1 ZINC001222729739 972676417 /nfs/dbraw/zinc/67/64/17/972676417.db2.gz CQIUJMZBGDOTFF-GFCCVEGCSA-N 1 0 247.342 2.200 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1cc2ccccc2[nH]1 ZINC001327870477 972775432 /nfs/dbraw/zinc/77/54/32/972775432.db2.gz IGYDQJVFVNGKPS-UHFFFAOYSA-N 1 0 242.322 2.250 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H]1C[C@H]1C ZINC001171174572 972801580 /nfs/dbraw/zinc/80/15/80/972801580.db2.gz AMYZPZZUCKLTFL-JTNHKYCSSA-N 1 0 214.312 2.487 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171175462 972801796 /nfs/dbraw/zinc/80/17/96/972801796.db2.gz LOVKELQEWACROX-CYBMUJFWSA-N 1 0 226.323 2.492 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171174774 972803447 /nfs/dbraw/zinc/80/34/47/972803447.db2.gz BZCMLOBXVTUWDT-WFASDCNBSA-N 1 0 246.354 2.096 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171174773 972804002 /nfs/dbraw/zinc/80/40/02/972804002.db2.gz BZCMLOBXVTUWDT-SWLSCSKDSA-N 1 0 246.354 2.096 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CCCCCO ZINC001171176544 972805126 /nfs/dbraw/zinc/80/51/26/972805126.db2.gz SOQKMZAMOJZIDR-ZDUSSCGKSA-N 1 0 246.354 2.241 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246565455 972809083 /nfs/dbraw/zinc/80/90/83/972809083.db2.gz CDZWZGINKMXHKE-UWVGGRQHSA-N 1 0 249.280 2.034 20 30 BEEDRO CSCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171179016 972809426 /nfs/dbraw/zinc/80/94/26/972809426.db2.gz OFJAHULQBFFYIZ-NSHDSACASA-N 1 0 234.368 2.442 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246565458 972809662 /nfs/dbraw/zinc/80/96/62/972809662.db2.gz CDZWZGINKMXHKE-ZJUUUORDSA-N 1 0 249.280 2.034 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]CCC(C)(C)O ZINC001171181210 972816533 /nfs/dbraw/zinc/81/65/33/972816533.db2.gz HYFVQEIZGJZVIG-GFCCVEGCSA-N 1 0 246.354 2.240 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)n1ccc(C[NH3+])n1 ZINC001171181226 972820596 /nfs/dbraw/zinc/82/05/96/972820596.db2.gz ILCSYMDRNZNFOV-LLVKDONJSA-N 1 0 240.310 2.017 20 30 BEEDRO C#CCC[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171190068 972842824 /nfs/dbraw/zinc/84/28/24/972842824.db2.gz PIRRWTLCNAJNHJ-LBPRGKRZSA-N 1 0 212.296 2.102 20 30 BEEDRO C[C@@H](CO)CC[NH2+][C@H](C)Cc1cccc(C#N)c1 ZINC001171193283 972845794 /nfs/dbraw/zinc/84/57/94/972845794.db2.gz UREASNHXCPDQDF-CHWSQXEVSA-N 1 0 246.354 2.097 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@@H](C)CC#N ZINC001171195151 972851548 /nfs/dbraw/zinc/85/15/48/972851548.db2.gz PVPSDRAWOQZFBQ-NWDGAFQWSA-N 1 0 227.311 2.381 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c(O)cc(O)cc1O ZINC001144514502 972856637 /nfs/dbraw/zinc/85/66/37/972856637.db2.gz IFULCILBCCAXBM-UHFFFAOYSA-N 1 0 237.299 2.201 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC001328090900 972869624 /nfs/dbraw/zinc/86/96/24/972869624.db2.gz KCSOWXDCMJCFMC-NEPJUHHUSA-N 1 0 233.311 2.170 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@](N)(C(F)(F)F)C1 ZINC001246573663 972870887 /nfs/dbraw/zinc/87/08/87/972870887.db2.gz WUDPQBYVZDBMRT-ZJUUUORDSA-N 1 0 236.281 2.307 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)cc1 ZINC001144567946 972873295 /nfs/dbraw/zinc/87/32/95/972873295.db2.gz FFTGWDPLOLEDQC-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1 ZINC001144567772 972873788 /nfs/dbraw/zinc/87/37/88/972873788.db2.gz BFLDXXCBLMUCID-HUUCEWRRSA-N 1 0 227.307 2.031 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)cc1 ZINC001144568360 972875070 /nfs/dbraw/zinc/87/50/70/972875070.db2.gz RXMPXCLCMUAVHA-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)cc1 ZINC001144567794 972875239 /nfs/dbraw/zinc/87/52/39/972875239.db2.gz CFGFIWCPFWPANH-CZUORRHYSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)C2CCN(C)CC2)cc1 ZINC001144567625 972875535 /nfs/dbraw/zinc/87/55/35/972875535.db2.gz VLPRJBQADFSBKG-UHFFFAOYSA-N 1 0 242.366 2.194 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ncn3ccccc23)C1 ZINC001144624871 972891691 /nfs/dbraw/zinc/89/16/91/972891691.db2.gz UQHYLXKCQIBHNA-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+][C@H](C)C(C)(C)O ZINC001171201241 972896099 /nfs/dbraw/zinc/89/60/99/972896099.db2.gz IWAKIUABHUUSCK-VXGBXAGGSA-N 1 0 246.354 2.238 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CCC1 ZINC001171203643 972912379 /nfs/dbraw/zinc/91/23/79/972912379.db2.gz ODYSAXSZQBYTHN-LLVKDONJSA-N 1 0 200.285 2.195 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(C)C1 ZINC001171203247 972915537 /nfs/dbraw/zinc/91/55/37/972915537.db2.gz KYHMCKCZZPETFW-GFCCVEGCSA-N 1 0 214.312 2.441 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH+]1CC(CC#N)C1 ZINC001171203270 972917255 /nfs/dbraw/zinc/91/72/55/972917255.db2.gz KZAPPZAUKAWAFU-GFCCVEGCSA-N 1 0 239.322 2.335 20 30 BEEDRO CC(=O)C[N@@H+](C)[C@@H](C)Cc1cccc(C#N)c1 ZINC001171211361 972941014 /nfs/dbraw/zinc/94/10/14/972941014.db2.gz YXYDWHQAADHHIT-NSHDSACASA-N 1 0 230.311 2.010 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C1CCC1 ZINC001328294980 972946879 /nfs/dbraw/zinc/94/68/79/972946879.db2.gz QHZPUDNAWQGNHC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[N@H+](C)CCF ZINC001171233949 973024224 /nfs/dbraw/zinc/02/42/24/973024224.db2.gz JELXBGRLCQQRLZ-NSHDSACASA-N 1 0 220.291 2.391 20 30 BEEDRO C=C(C)CCC(=O)NCC1CC[NH+](CC)CC1 ZINC001223362339 973027328 /nfs/dbraw/zinc/02/73/28/973027328.db2.gz MQFURHXIGNVVPZ-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCCCCCC[N@H+](C)[C@@H]1CNC(=O)C1 ZINC001246770094 973092089 /nfs/dbraw/zinc/09/20/89/973092089.db2.gz NOLFVNNIBKIVPK-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO C=C1C[C@@H]2CC(N(C)[C@@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246806689 973108231 /nfs/dbraw/zinc/10/82/31/973108231.db2.gz YFKABCSJYGWSKJ-PEUVFPKISA-N 1 0 234.387 2.415 20 30 BEEDRO C=C1C[C@@H]2CC(N(C)[C@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246806680 973110452 /nfs/dbraw/zinc/11/04/52/973110452.db2.gz YFKABCSJYGWSKJ-MBOZISHXSA-N 1 0 234.387 2.415 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC001246841124 973140119 /nfs/dbraw/zinc/14/01/19/973140119.db2.gz TVJDPQJGBMCKOO-HNNXBMFYSA-N 1 0 230.355 2.427 20 30 BEEDRO CC[N@@H+]1CC[C@@H](O[C@@H](C#N)c2ccccc2)C1 ZINC001223710121 973229953 /nfs/dbraw/zinc/22/99/53/973229953.db2.gz UPNCTAJSLLLZAN-KGLIPLIRSA-N 1 0 230.311 2.362 20 30 BEEDRO C[C@@H](C[NH+](C)C)O[C@@H](C#N)c1ccccc1 ZINC001223709038 973232357 /nfs/dbraw/zinc/23/23/57/973232357.db2.gz IKRFGHRBJHVUGR-AAEUAGOBSA-N 1 0 218.300 2.218 20 30 BEEDRO C=CCCC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=C)C ZINC001328994111 973418098 /nfs/dbraw/zinc/41/80/98/973418098.db2.gz BRURQZQRERCEJN-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)/C(C)=C/C ZINC001329008174 973422555 /nfs/dbraw/zinc/42/25/55/973422555.db2.gz LLYOKIAGJNGXNU-QISKZBHPSA-N 1 0 244.766 2.188 20 30 BEEDRO C[NH+]1CC2(C1)CCCN(c1cccc(C#N)c1)C2 ZINC001276953373 973473151 /nfs/dbraw/zinc/47/31/51/973473151.db2.gz JHTOPTFXGXFXIT-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO C[NH+]1CC2(C1)CCN(c1ccc(C#N)cc1)CC2 ZINC001276958160 973490437 /nfs/dbraw/zinc/49/04/37/973490437.db2.gz GMYHEJOROLBRMH-UHFFFAOYSA-N 1 0 241.338 2.090 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC001147332078 973531025 /nfs/dbraw/zinc/53/10/25/973531025.db2.gz SZSITKNLOJSPTB-PJXYFTJBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCCO[C@H](CC#N)C[N+](C)(C)C ZINC001224336098 973563186 /nfs/dbraw/zinc/56/31/86/973563186.db2.gz ZZIRGTLEYDQTBX-CYBMUJFWSA-N 1 0 225.356 2.348 20 30 BEEDRO CC#CCO[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001224357609 973593623 /nfs/dbraw/zinc/59/36/23/973593623.db2.gz QLICMEPRUMBBDG-HNNXBMFYSA-N 1 0 229.323 2.301 20 30 BEEDRO C=CC[N@H+]1CCC2(CN(C(=O)/C=C(/C)CC)C2)C1 ZINC001147482599 973643709 /nfs/dbraw/zinc/64/37/09/973643709.db2.gz CHVWITMRAQOXIL-LCYFTJDESA-N 1 0 248.370 2.063 20 30 BEEDRO C#C[C@@H](OCC1CC[NH+](C)CC1)C(C)C ZINC001224457494 973657797 /nfs/dbraw/zinc/65/77/97/973657797.db2.gz PXVDTHFHLDNLIT-CYBMUJFWSA-N 1 0 209.333 2.003 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)CCC ZINC001329400331 973740784 /nfs/dbraw/zinc/74/07/84/973740784.db2.gz ZNXHUMPUHFNEDP-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H](F)CCCCCC ZINC001147792168 973767442 /nfs/dbraw/zinc/76/74/42/973767442.db2.gz YRNKPJLVVDNENH-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncccc1C ZINC001332003825 1169966389 /nfs/dbraw/zinc/96/63/89/1169966389.db2.gz XLXBRYKJQBATFT-JSGCOSHPSA-N 1 0 232.327 2.071 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@@H](C)c1ccccc1 ZINC001148136085 973798714 /nfs/dbraw/zinc/79/87/14/973798714.db2.gz WSEWNYQUUUBUBN-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@@H](C)[N@@H+](C)CC ZINC001329500905 973804240 /nfs/dbraw/zinc/80/42/40/973804240.db2.gz NFYGSWDNQXVQBK-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H](CC)C(C)C ZINC001148352791 973832265 /nfs/dbraw/zinc/83/22/65/973832265.db2.gz PRDOTRHFQJUOFB-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C[NH+]1CCC(OCCCCCC#N)CC1 ZINC001224692875 973859429 /nfs/dbraw/zinc/85/94/29/973859429.db2.gz OTIQJQDRFMEYSF-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C#CC[C@@H](CC)OC[C@@H]1CCCC[N@@H+]1C ZINC001224706689 973876281 /nfs/dbraw/zinc/87/62/81/973876281.db2.gz LJGVYPBQJFRCLL-QWHCGFSZSA-N 1 0 209.333 2.289 20 30 BEEDRO C#C[C@@H](CCC)OC[C@@H]1CCCC[N@@H+]1C ZINC001224707062 973878335 /nfs/dbraw/zinc/87/83/35/973878335.db2.gz OIABTFOCKJBDLX-STQMWFEESA-N 1 0 209.333 2.289 20 30 BEEDRO CC(C)(C)CCO[C@H](CC#N)C[N+](C)(C)C ZINC001224724020 973890908 /nfs/dbraw/zinc/89/09/08/973890908.db2.gz BPIMPDQPAVHGLC-GFCCVEGCSA-N 1 0 227.372 2.428 20 30 BEEDRO C#C[C@H]1CCC[C@H]1OCCC[NH+]1CCCC1 ZINC001224745063 973899628 /nfs/dbraw/zinc/89/96/28/973899628.db2.gz VTAQKBSTSCRYJG-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C(CO[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001224734908 973901236 /nfs/dbraw/zinc/90/12/36/973901236.db2.gz YPZUOLMXCDJNII-CQSZACIVSA-N 1 0 217.312 2.421 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C[C@H](C)C(C)(C)C ZINC001149007289 973904920 /nfs/dbraw/zinc/90/49/20/973904920.db2.gz ARQAGELKLWGHDD-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C#C[C@H](OCCC[NH+]1CCCC1)c1ccncc1 ZINC001224750597 973913373 /nfs/dbraw/zinc/91/33/73/973913373.db2.gz RLNKDKILORLIPH-HNNXBMFYSA-N 1 0 244.338 2.258 20 30 BEEDRO C#C[C@@H](OCCC[NH+]1CCCC1)C(C)C ZINC001224751008 973915064 /nfs/dbraw/zinc/91/50/64/973915064.db2.gz VBCANGSBNDHUAH-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H](OCCC[NH+]1CCCC1)c1ccncc1 ZINC001224750602 973917154 /nfs/dbraw/zinc/91/71/54/973917154.db2.gz RLNKDKILORLIPH-OAHLLOKOSA-N 1 0 244.338 2.258 20 30 BEEDRO C#C[C@H](CCCCC)OCC[N+](C)(C)C ZINC001224770960 973935659 /nfs/dbraw/zinc/93/56/59/973935659.db2.gz DFYMLCVUQHUGJB-CYBMUJFWSA-N 1 0 212.357 2.291 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C(C)C ZINC001224804209 973979290 /nfs/dbraw/zinc/97/92/90/973979290.db2.gz AWBRQFWKMKPXHQ-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2c(F)cccc2C1 ZINC001171405836 974012538 /nfs/dbraw/zinc/01/25/38/974012538.db2.gz AQKZTPDVWSYULO-PWSUYJOCSA-N 1 0 217.287 2.294 20 30 BEEDRO C(#CC1CC1)COC1CC[NH+](C2CC2)CC1 ZINC001224844866 974024788 /nfs/dbraw/zinc/02/47/88/974024788.db2.gz QMJWPBXIZGKGRX-UHFFFAOYSA-N 1 0 219.328 2.043 20 30 BEEDRO C[NH+](C)[C@H]1CC[C@H](OCC#CC2CC2)CC1 ZINC001224851050 974028930 /nfs/dbraw/zinc/02/89/30/974028930.db2.gz VTHRWUIDIRCCKG-HDJSIYSDSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)C(CC)CC)C1 ZINC001329968503 974062979 /nfs/dbraw/zinc/06/29/79/974062979.db2.gz HAGWEGQQPACYNT-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1CCc2c(F)cccc2C1 ZINC001171439543 974068360 /nfs/dbraw/zinc/06/83/60/974068360.db2.gz BCWZBRLPYJQMHH-CQSZACIVSA-N 1 0 241.309 2.251 20 30 BEEDRO [NH3+]Cc1nccnc1Nc1ccccc1CS ZINC001171449568 974072353 /nfs/dbraw/zinc/07/23/53/974072353.db2.gz NVJFPTWYYNVRFK-UHFFFAOYSA-N 1 0 246.339 2.109 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2cc(F)c(F)cc2C1 ZINC001171463358 974077782 /nfs/dbraw/zinc/07/77/82/974077782.db2.gz QXBDYKLFBZYKPT-SKDRFNHKSA-N 1 0 235.277 2.433 20 30 BEEDRO Cc1cccc2c1CC[C@H]([NH2+]CCS)C2 ZINC001171551520 974094539 /nfs/dbraw/zinc/09/45/39/974094539.db2.gz PRDUQCDEZNWIJL-LBPRGKRZSA-N 1 0 221.369 2.372 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2c(C)cccc2C1 ZINC001171555775 974100424 /nfs/dbraw/zinc/10/04/24/974100424.db2.gz BRHBRLKBXYHYQV-CQSZACIVSA-N 1 0 213.324 2.465 20 30 BEEDRO C[NH+]1C(C)(C)CC(N2CC(C)(C#N)C2)CC1(C)C ZINC001171630791 974108673 /nfs/dbraw/zinc/10/86/73/974108673.db2.gz BUZTXDITVMDUIY-UHFFFAOYSA-N 1 0 249.402 2.483 20 30 BEEDRO C[C@@H](OCCCC[NH+](C)C)[C@H](C)S ZINC001224991576 974124200 /nfs/dbraw/zinc/12/42/00/974124200.db2.gz WFMRDVOSFLTMND-ZJUUUORDSA-N 1 0 205.367 2.052 20 30 BEEDRO C#CCCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171769151 974153665 /nfs/dbraw/zinc/15/36/65/974153665.db2.gz NPVOGZWMEVACFO-LBPRGKRZSA-N 1 0 217.287 2.296 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171773969 974158322 /nfs/dbraw/zinc/15/83/22/974158322.db2.gz SCMDUHNCRIJQNV-LLVKDONJSA-N 1 0 205.276 2.459 20 30 BEEDRO N#CCCC[NH2+][C@H]1Cc2cccc(F)c2C1 ZINC001171781160 974170496 /nfs/dbraw/zinc/17/04/96/974170496.db2.gz XLDWLCPNCMJUAD-NSHDSACASA-N 1 0 218.275 2.186 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@@H]1Cc2cccc(F)c2C1 ZINC001171783968 974174819 /nfs/dbraw/zinc/17/48/19/974174819.db2.gz BZROTWPTEWWBOH-GXSJLCMTSA-N 1 0 218.275 2.185 20 30 BEEDRO COc1ccc(O[C@H](CC#N)C[N+](C)(C)C)cc1 ZINC001225254564 974312735 /nfs/dbraw/zinc/31/27/35/974312735.db2.gz KDCRWSUQOIPPCL-CQSZACIVSA-N 1 0 249.334 2.062 20 30 BEEDRO C=CC[N@H+](CC1CCC(O)CC1)[C@@H](C)COC ZINC001330565969 974319620 /nfs/dbraw/zinc/31/96/20/974319620.db2.gz NBHXXHNUCQMQNN-HSBZDZAISA-N 1 0 241.375 2.060 20 30 BEEDRO C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)CCC)C1 ZINC001330577285 974329969 /nfs/dbraw/zinc/32/99/69/974329969.db2.gz KKMDHZVEZPDGPJ-AVGNSLFASA-N 1 0 238.375 2.093 20 30 BEEDRO C#CC1CC[NH+]([C@H]2C[C@H]3CCC[C@@H](C2)N3C)CC1 ZINC001172127436 974349217 /nfs/dbraw/zinc/34/92/17/974349217.db2.gz JLASQQQZRJNKKB-ZSHCYNCHSA-N 1 0 246.398 2.347 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CC[C@@](C)(C#N)C1)C2 ZINC001172130398 974356632 /nfs/dbraw/zinc/35/66/32/974356632.db2.gz OQRHJHLIKYETJN-YJNKXOJESA-N 1 0 247.386 2.237 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC1(C#N)CCCC1)C2 ZINC001172107452 974366303 /nfs/dbraw/zinc/36/63/03/974366303.db2.gz XSQVOBFGESHLAY-ZSOGYDGISA-N 1 0 247.386 2.428 20 30 BEEDRO CC[C@H](CC#N)N[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104706 974370150 /nfs/dbraw/zinc/37/01/50/974370150.db2.gz CKLLSMIYDRCWTN-YIYPIFLZSA-N 1 0 235.375 2.284 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC2(OC)CCC2)c1 ZINC001330639630 974376141 /nfs/dbraw/zinc/37/61/41/974376141.db2.gz TVVHYJROFPZEGZ-UHFFFAOYSA-N 1 0 229.323 2.327 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CSc2ccccc2C1 ZINC001172203721 974437503 /nfs/dbraw/zinc/43/75/03/974437503.db2.gz VGENVAVKVHLKMK-GFCCVEGCSA-N 1 0 217.337 2.268 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172217751 974444125 /nfs/dbraw/zinc/44/41/25/974444125.db2.gz QYHXXMRVORONJU-YHWZYXNKSA-N 1 0 221.344 2.478 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C=C(C)C ZINC001330734351 974447927 /nfs/dbraw/zinc/44/79/27/974447927.db2.gz PSXWFMDYFNACCO-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C#CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172223678 974460177 /nfs/dbraw/zinc/46/01/77/974460177.db2.gz UGVWYYLAPNMCDH-YHWZYXNKSA-N 1 0 207.317 2.090 20 30 BEEDRO C#CC1CC[NH+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172227460 974462674 /nfs/dbraw/zinc/46/26/74/974462674.db2.gz ZPXJDEPXNHFZFG-AGUYFDCRSA-N 1 0 219.328 2.042 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172229355 974467003 /nfs/dbraw/zinc/46/70/03/974467003.db2.gz KPWQXSPRTDWNAX-YHWZYXNKSA-N 1 0 219.328 2.254 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C[C@@H](C)CC)CC1 ZINC001277043492 974485994 /nfs/dbraw/zinc/48/59/94/974485994.db2.gz ONTQNJXTXBETIR-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001330831078 974495704 /nfs/dbraw/zinc/49/57/04/974495704.db2.gz SMQRBMMBQWMOLJ-QNWHQSFQSA-N 1 0 209.333 2.356 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CCCC2(CC2)C1 ZINC001330842819 974500557 /nfs/dbraw/zinc/50/05/57/974500557.db2.gz YKPCOTKPDLXDJF-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO N#CCC1([NH2+]C2C[C@@H]3C=C[C@H](C2)O3)CCCC1 ZINC001172240370 974502681 /nfs/dbraw/zinc/50/26/81/974502681.db2.gz MVSGDMLNIXHRTQ-YHWZYXNKSA-N 1 0 232.327 2.288 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172301735 974512771 /nfs/dbraw/zinc/51/27/71/974512771.db2.gz VUHOASKMMNDBGF-NEPJUHHUSA-N 1 0 232.327 2.114 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1(C#N)CC1 ZINC001172300975 974513427 /nfs/dbraw/zinc/51/34/27/974513427.db2.gz IZPFVONZEACXAE-GFCCVEGCSA-N 1 0 239.322 2.383 20 30 BEEDRO C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172300781 974514403 /nfs/dbraw/zinc/51/44/03/974514403.db2.gz ZGYQYIQEWIORBM-OLZOCXBDSA-N 1 0 245.370 2.016 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172300889 974514946 /nfs/dbraw/zinc/51/49/46/974514946.db2.gz IPKZTKOOFHLGFE-NWDGAFQWSA-N 1 0 212.296 2.101 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CCC1COC1 ZINC001172301325 974514951 /nfs/dbraw/zinc/51/49/51/974514951.db2.gz MNOJRFOXQHTNNL-LBPRGKRZSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@@H+]1CCOC[C@H]1C ZINC001172308563 974517808 /nfs/dbraw/zinc/51/78/08/974517808.db2.gz LGYVCZJPQWRPFU-QWHCGFSZSA-N 1 0 244.338 2.210 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001330899553 974527158 /nfs/dbraw/zinc/52/71/58/974527158.db2.gz CQSQWLQUFUXJEP-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]C1CC(C#N)C1 ZINC001172327071 974535289 /nfs/dbraw/zinc/53/52/89/974535289.db2.gz CWPQHVUNGHUTOK-OKZRHMCRSA-N 1 0 224.348 2.472 20 30 BEEDRO CCC#C[C@H](C)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225546936 974548585 /nfs/dbraw/zinc/54/85/85/974548585.db2.gz PHXKTOHWPVLJOC-NSHDSACASA-N 1 0 246.310 2.366 20 30 BEEDRO C#CC[C@H](CC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225547514 974548888 /nfs/dbraw/zinc/54/88/88/974548888.db2.gz YGYHXYTUVXDULC-LBPRGKRZSA-N 1 0 246.310 2.366 20 30 BEEDRO CC#C[C@H](CC)Oc1ccc(CC(=[NH2+])NO)cc1 ZINC001225549131 974549182 /nfs/dbraw/zinc/54/91/82/974549182.db2.gz IDGLSNSNLZBYIL-LBPRGKRZSA-N 1 0 246.310 2.366 20 30 BEEDRO CC(C)[C@@H](CO)[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172292400 974561464 /nfs/dbraw/zinc/56/14/64/974561464.db2.gz OWXPNBCTFGFDHN-IUODEOHRSA-N 1 0 246.354 2.096 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]Cc1cnco1 ZINC001172295984 974565005 /nfs/dbraw/zinc/56/50/05/974565005.db2.gz WDFDXVRSPSDWFG-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C#CC1([NH2+][C@@H](C)Cc2ccc(C#N)cc2)CC1 ZINC001172298270 974565376 /nfs/dbraw/zinc/56/53/76/974565376.db2.gz VLFPNZNWIMAZEE-LBPRGKRZSA-N 1 0 224.307 2.245 20 30 BEEDRO CCC(=O)C[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172296968 974565866 /nfs/dbraw/zinc/56/58/66/974565866.db2.gz LYOMQDNKUYXWGB-NSHDSACASA-N 1 0 230.311 2.058 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]C(C)(CO)CO ZINC001172346600 974614942 /nfs/dbraw/zinc/61/49/42/974614942.db2.gz KCLIUJQETVNYMP-ZDUSSCGKSA-N 1 0 245.407 2.458 20 30 BEEDRO CCCCCCC[C@@H](CC)n1nnnc1C[NH3+] ZINC001172347048 974616860 /nfs/dbraw/zinc/61/68/60/974616860.db2.gz PVTDMHHNFRPKFF-LLVKDONJSA-N 1 0 239.367 2.443 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1cccnc1C#N ZINC001225669723 974637126 /nfs/dbraw/zinc/63/71/26/974637126.db2.gz ABCOCSWVFDUTPU-LLVKDONJSA-N 1 0 233.315 2.062 20 30 BEEDRO C[NH+](C)C1CCC(Oc2cccnc2C#N)CC1 ZINC001225673430 974639545 /nfs/dbraw/zinc/63/95/45/974639545.db2.gz RBXDTDIWGKESMK-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO CC[C@H](C)[C@H]([NH2+][C@@H](CC)CC(C)C)C(=O)NO ZINC001172402630 974654142 /nfs/dbraw/zinc/65/41/42/974654142.db2.gz TWVFOJMGMZZSOE-SRVKXCTJSA-N 1 0 244.379 2.321 20 30 BEEDRO CCOCC[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001172411958 974674983 /nfs/dbraw/zinc/67/49/83/974674983.db2.gz TXUGEISOSFYAOL-UPJWGTAASA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)OCC[C@@H](C)[NH2+]CC(C)(C)S ZINC001172435436 974680538 /nfs/dbraw/zinc/68/05/38/974680538.db2.gz GPVWWTILBNEXPR-SNVBAGLBSA-N 1 0 219.394 2.488 20 30 BEEDRO COc1cccc(CC#N)c1O[C@@H](C)C[NH+](C)C ZINC001225842612 974703639 /nfs/dbraw/zinc/70/36/39/974703639.db2.gz IJCGIKXFVFJJCB-NSHDSACASA-N 1 0 248.326 2.090 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1nc(C)ccc1C#N ZINC001225860293 974704203 /nfs/dbraw/zinc/70/42/03/974704203.db2.gz JVPDTEIQCNZTTI-GFCCVEGCSA-N 1 0 247.342 2.371 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001172429111 974707722 /nfs/dbraw/zinc/70/77/22/974707722.db2.gz SUMSZUHNDYAWRS-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)CCOCC)C1 ZINC001172429564 974711666 /nfs/dbraw/zinc/71/16/66/974711666.db2.gz ARSLIQIFOIIASK-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)C=C1CCC1 ZINC001331421237 974714104 /nfs/dbraw/zinc/71/41/04/974714104.db2.gz IHEZMZCAXAFYEY-GFCCVEGCSA-N 1 0 236.359 2.109 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(C#C)cc1 ZINC001331530781 974751510 /nfs/dbraw/zinc/75/15/10/974751510.db2.gz BRAGYZQUFJSJDT-MRXNPFEDSA-N 1 0 241.334 2.186 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CO)c1ccc(O)cc1 ZINC001172487352 974768234 /nfs/dbraw/zinc/76/82/34/974768234.db2.gz ASUQWXACNNNTEO-FZMZJTMJSA-N 1 0 248.326 2.098 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC1CCOCC1 ZINC001172475768 974773591 /nfs/dbraw/zinc/77/35/91/974773591.db2.gz BJDDQTKSEDBWAR-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccnc1 ZINC001172477000 974774479 /nfs/dbraw/zinc/77/44/79/974774479.db2.gz SWZPPFCEUHTCBX-LLVKDONJSA-N 1 0 203.289 2.254 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CCCC(C)(C)CO ZINC001172478066 974776526 /nfs/dbraw/zinc/77/65/26/974776526.db2.gz BFHXXNHDQVNGKK-LBPRGKRZSA-N 1 0 226.364 2.457 20 30 BEEDRO CCOC(C[NH2+][C@H](C)CCCC#N)OCC ZINC001172478688 974777300 /nfs/dbraw/zinc/77/73/00/974777300.db2.gz DSALARYNKXUCPV-LLVKDONJSA-N 1 0 228.336 2.057 20 30 BEEDRO COC(=O)C1(C[NH2+][C@H](C)CCCC#N)CCC1 ZINC001172478203 974777848 /nfs/dbraw/zinc/77/78/48/974777848.db2.gz CZDDYNNDQZXYLB-LLVKDONJSA-N 1 0 238.331 2.002 20 30 BEEDRO CCOC(=O)CCCC[NH2+][C@@H](C)CCCC#N ZINC001172480155 974778870 /nfs/dbraw/zinc/77/88/70/974778870.db2.gz QRYPSAHSQRCOQZ-LBPRGKRZSA-N 1 0 240.347 2.392 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]CC(=O)C(C)(C)C ZINC001172481467 974781386 /nfs/dbraw/zinc/78/13/86/974781386.db2.gz URKDVUAQFCGIAP-JTQLQIEISA-N 1 0 210.321 2.274 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(O)cc1O ZINC001172482476 974784569 /nfs/dbraw/zinc/78/45/69/974784569.db2.gz HDAANZZMWINNOA-JTQLQIEISA-N 1 0 234.299 2.270 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCOC(F)(F)F ZINC001172482280 974784906 /nfs/dbraw/zinc/78/49/06/974784906.db2.gz DQZYFCDODMTPRF-MRVPVSSYSA-N 1 0 224.226 2.195 20 30 BEEDRO C[C@@H](CCCC#N)N(C(N)=[NH2+])c1ccccc1 ZINC001172483373 974787104 /nfs/dbraw/zinc/78/71/04/974787104.db2.gz PWSGNZBKSVBCHI-NSHDSACASA-N 1 0 230.315 2.469 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]CCCC(C)C ZINC001331676172 974787805 /nfs/dbraw/zinc/78/78/05/974787805.db2.gz NYNGTTLUZOQMEX-CYBMUJFWSA-N 1 0 211.349 2.441 20 30 BEEDRO COC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172485356 974788930 /nfs/dbraw/zinc/78/89/30/974788930.db2.gz OUHCFWNZBXYUOV-TUAOUCFPSA-N 1 0 238.331 2.000 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@H](C)CCCC#N ZINC001172485663 974788992 /nfs/dbraw/zinc/78/89/92/974788992.db2.gz SCXNAWRPHVOJKE-NEPJUHHUSA-N 1 0 212.337 2.065 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCCC#N)c1cnn(C)c1 ZINC001172486592 974790351 /nfs/dbraw/zinc/79/03/51/974790351.db2.gz BZLNPTNWTIEYBJ-WDEREUQCSA-N 1 0 220.320 2.153 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](C)c1cnccn1 ZINC001172486688 974790412 /nfs/dbraw/zinc/79/04/12/974790412.db2.gz CSWXMGZTTVFWKP-QWRGUYRKSA-N 1 0 218.304 2.210 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1CCN(CC2CC2)C1 ZINC001172486234 974790852 /nfs/dbraw/zinc/79/08/52/974790852.db2.gz AJFRCDYTFQDLNF-OCCSQVGLSA-N 1 0 235.375 2.143 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2cccc(/C=N/O)c2)C1 ZINC001226114107 974795359 /nfs/dbraw/zinc/79/53/59/974795359.db2.gz FRCCUAPEWSFJFZ-MFYHJKBNSA-N 1 0 248.326 2.358 20 30 BEEDRO CC(C)OCC[C@H](C)[NH2+]Cc1cncc(C#N)c1 ZINC001172441091 974798537 /nfs/dbraw/zinc/79/85/37/974798537.db2.gz MCWCZEFWLIWZRT-LBPRGKRZSA-N 1 0 247.342 2.246 20 30 BEEDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCCC#N)C1 ZINC001172489120 974832719 /nfs/dbraw/zinc/83/27/19/974832719.db2.gz OUHCFWNZBXYUOV-QJPTWQEYSA-N 1 0 238.331 2.000 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cncc(C#N)c1 ZINC001172487721 974833462 /nfs/dbraw/zinc/83/34/62/974833462.db2.gz IXNJGJZACAWYKF-LLVKDONJSA-N 1 0 228.299 2.125 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CC(=O)Nc1ccccc1 ZINC001172489831 974834966 /nfs/dbraw/zinc/83/49/66/974834966.db2.gz RJXJAZNGBRSGOG-GFCCVEGCSA-N 1 0 245.326 2.297 20 30 BEEDRO CO[C@H]1CCC[N@@H+]([C@@H](C)CCCC#N)C1 ZINC001172491255 974836412 /nfs/dbraw/zinc/83/64/12/974836412.db2.gz CYHSHMFZJULNSF-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cc(C#N)co1 ZINC001172490807 974836650 /nfs/dbraw/zinc/83/66/50/974836650.db2.gz LCVBHUQCSWKROU-SNVBAGLBSA-N 1 0 217.272 2.323 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H](C)c1ccno1 ZINC001172490843 974837961 /nfs/dbraw/zinc/83/79/61/974837961.db2.gz LMILDDZSUQHWGE-NXEZZACHSA-N 1 0 207.277 2.408 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]C[C@H]1COc2cnccc21 ZINC001172492814 974839031 /nfs/dbraw/zinc/83/90/31/974839031.db2.gz OSLXFJDHKXFMEF-NEPJUHHUSA-N 1 0 245.326 2.230 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCO[C@H](C)C1 ZINC001172493930 974841716 /nfs/dbraw/zinc/84/17/16/974841716.db2.gz POBDWJFFZVHWDA-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001172494702 974844559 /nfs/dbraw/zinc/84/45/59/974844559.db2.gz XKVJONZLXLFHQK-QWHCGFSZSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CCC(C#N)CC1 ZINC001172494537 974844813 /nfs/dbraw/zinc/84/48/13/974844813.db2.gz VJWBDQJYJRYMDE-NSHDSACASA-N 1 0 205.305 2.304 20 30 BEEDRO CC[N@H+](CCCC(=O)OC)[C@H](C)CCCC#N ZINC001172494744 974844858 /nfs/dbraw/zinc/84/48/58/974844858.db2.gz XQEJVSICPNCUDC-GFCCVEGCSA-N 1 0 240.347 2.344 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001172494714 974846078 /nfs/dbraw/zinc/84/60/78/974846078.db2.gz XOHLGYUSVZNECM-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC001172496730 974848203 /nfs/dbraw/zinc/84/82/03/974848203.db2.gz PLPCRESQGWBOIO-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001172498630 974849191 /nfs/dbraw/zinc/84/91/91/974849191.db2.gz OURMIIDJDVGCCX-AGIUHOORSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@@]12CCOC2 ZINC001172499336 974851284 /nfs/dbraw/zinc/85/12/84/974851284.db2.gz WGYQVLIOHBFHJR-STQMWFEESA-N 1 0 222.332 2.324 20 30 BEEDRO Cc1noc([C@H]2CC[N@@H+]([C@H](C)CCCC#N)C2)n1 ZINC001172498842 974852612 /nfs/dbraw/zinc/85/26/12/974852612.db2.gz RNRIKLXQTOUJCX-PWSUYJOCSA-N 1 0 248.330 2.250 20 30 BEEDRO C[C@H](CCCC#N)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001172500361 974853911 /nfs/dbraw/zinc/85/39/11/974853911.db2.gz MVLJCBZCIMHSQG-WOPDTQHZSA-N 1 0 210.321 2.178 20 30 BEEDRO C[C@@H](CCCC#N)N1Cc2ccncc2C1 ZINC001172507387 974863601 /nfs/dbraw/zinc/86/36/01/974863601.db2.gz SFKKZMQTOADMGC-NSHDSACASA-N 1 0 215.300 2.480 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC=C)C1 ZINC001331956122 974886993 /nfs/dbraw/zinc/88/69/93/974886993.db2.gz ARSKHDAUJFVBQB-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO Nc1cc(O[C@@H]2C=CC(=O)C2)c2ccccc2[nH+]1 ZINC001226422429 974891032 /nfs/dbraw/zinc/89/10/32/974891032.db2.gz MIPDRWSPKVFULI-SNVBAGLBSA-N 1 0 240.262 2.093 20 30 BEEDRO C#CC[NH+](CC#C)[C@@H]1Cc2ccc(Cl)cc2C1 ZINC001172726576 974909998 /nfs/dbraw/zinc/90/99/98/974909998.db2.gz YATZBLYJJYODKV-OAHLLOKOSA-N 1 0 243.737 2.376 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C(C)C ZINC001277130345 974919748 /nfs/dbraw/zinc/91/97/48/974919748.db2.gz ZNDJWHCGHPIGKH-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@H](C(=O)OC)CC1 ZINC001172772153 974938149 /nfs/dbraw/zinc/93/81/49/974938149.db2.gz LUOXMYGZDSTKQM-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO Cc1ccc2c(c1)C[C@H]([NH2+]CCC#N)CC2 ZINC001172823895 974945768 /nfs/dbraw/zinc/94/57/68/974945768.db2.gz LQAYTGZNXCDGSJ-CQSZACIVSA-N 1 0 214.312 2.356 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172833672 974948929 /nfs/dbraw/zinc/94/89/29/974948929.db2.gz AIJKJUTZFYRZFI-WFASDCNBSA-N 1 0 213.324 2.464 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001332104683 974953649 /nfs/dbraw/zinc/95/36/49/974953649.db2.gz IMBMRNGRIAKIPA-KGLIPLIRSA-N 1 0 239.359 2.080 20 30 BEEDRO C#CCC[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172841936 974954817 /nfs/dbraw/zinc/95/48/17/974954817.db2.gz KBHRCBVLLKJKEB-HNNXBMFYSA-N 1 0 213.324 2.465 20 30 BEEDRO C#CC[N@@H+](CCc1cccc(C)n1)CC1CC1 ZINC001332118987 974960064 /nfs/dbraw/zinc/96/00/64/974960064.db2.gz KJDWCKRHJAQVFD-UHFFFAOYSA-N 1 0 228.339 2.278 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC001172925696 974970427 /nfs/dbraw/zinc/97/04/27/974970427.db2.gz IKZIFVNMEORORD-KGLIPLIRSA-N 1 0 245.326 2.000 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C#N)nc2)C1 ZINC001172926637 974970795 /nfs/dbraw/zinc/97/07/95/974970795.db2.gz CEBIELKIRLTMSX-TZMCWYRMSA-N 1 0 245.326 2.000 20 30 BEEDRO CC#CC[C@@H](CC)Oc1cc[nH+]c(N)c1 ZINC001226653784 974998348 /nfs/dbraw/zinc/99/83/48/974998348.db2.gz PMYUIFNWQTYIPN-SNVBAGLBSA-N 1 0 204.273 2.235 20 30 BEEDRO SCC[NH2+]C1CCC2(CCOCC2)CC1 ZINC001173039854 975012336 /nfs/dbraw/zinc/01/23/36/975012336.db2.gz QRMKWVRXNDIYBF-UHFFFAOYSA-N 1 0 229.389 2.245 20 30 BEEDRO C#CC[NH+](CC#C)C1CCC2(CCOCC2)CC1 ZINC001173049386 975016074 /nfs/dbraw/zinc/01/60/74/975016074.db2.gz OZAKEYSZGFUKID-UHFFFAOYSA-N 1 0 245.366 2.294 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)/C(C)=C/C)C1 ZINC001332253082 975028927 /nfs/dbraw/zinc/02/89/27/975028927.db2.gz KAYMHXVQTFJTAM-PUZDAVHHSA-N 1 0 236.359 2.013 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCc3ncsc3C2)C1 ZINC001173146988 975046548 /nfs/dbraw/zinc/04/65/48/975046548.db2.gz UDGIBGBVHSPHIO-ZWNOBZJWSA-N 1 0 247.367 2.236 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173220363 975075401 /nfs/dbraw/zinc/07/54/01/975075401.db2.gz ZEZXTVBYLZJVCF-GHMZBOCLSA-N 1 0 232.283 2.137 20 30 BEEDRO CC[C@H]1CC[C@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001173269217 975138472 /nfs/dbraw/zinc/13/84/72/975138472.db2.gz GRZVNEVKTFWAPG-STQMWFEESA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CCCC1)C2 ZINC001095084833 975164378 /nfs/dbraw/zinc/16/43/78/975164378.db2.gz ZUUBPFFAGGDVJR-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2cncnc2)CC1 ZINC001173312733 975223295 /nfs/dbraw/zinc/22/32/95/975223295.db2.gz LBTXCMBPYKIITO-UHFFFAOYSA-N 1 0 247.342 2.080 20 30 BEEDRO C=CCOC1CCC(n2ccc(C[NH3+])n2)CC1 ZINC001173313335 975224108 /nfs/dbraw/zinc/22/41/08/975224108.db2.gz VDUUJOFHKWLYHM-UHFFFAOYSA-N 1 0 235.331 2.028 20 30 BEEDRO C=CCOC1CCC(NC(C)(C)C#N)CC1 ZINC001173311887 975224209 /nfs/dbraw/zinc/22/42/09/975224209.db2.gz QMFSYLURNCQYPI-UHFFFAOYSA-N 1 0 222.332 2.392 20 30 BEEDRO CC[C@@H]1CC[C@H]([NH+]2CCN(CCC#N)CC2)C1 ZINC001173281571 975240479 /nfs/dbraw/zinc/24/04/79/975240479.db2.gz TWYSSLIHJZZDLX-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO CCSC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC001173286981 975249895 /nfs/dbraw/zinc/24/98/95/975249895.db2.gz JASFQZXPSXYFCN-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ocnc1C ZINC001332708753 975265019 /nfs/dbraw/zinc/26/50/19/975265019.db2.gz VPQCVAFLJZBENA-AAEUAGOBSA-N 1 0 236.315 2.054 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]CCc1ccc(C(C)C)cc1 ZINC001332717724 975269999 /nfs/dbraw/zinc/26/99/99/975269999.db2.gz NATQLUQQRDSDLF-INIZCTEOSA-N 1 0 245.366 2.326 20 30 BEEDRO N#CCC1CCC([NH2+]CCN2CCCC2)CC1 ZINC001173325694 975273655 /nfs/dbraw/zinc/27/36/55/975273655.db2.gz PQKPZKGGMVUYST-UHFFFAOYSA-N 1 0 235.375 2.144 20 30 BEEDRO Cc1cnc(C[NH2+]C2CCC(CC#N)CC2)cn1 ZINC001173324981 975274217 /nfs/dbraw/zinc/27/42/17/975274217.db2.gz YRGMHJWFXMADKV-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO CN1CCC[C@@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173325438 975274344 /nfs/dbraw/zinc/27/43/44/975274344.db2.gz IMBXVGJNRYCESF-JXQTWKCFSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC001173324846 975274885 /nfs/dbraw/zinc/27/48/85/975274885.db2.gz VZUPUIXGIOQQGB-HHTDUIENSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CCC1CCC([NH2+]Cc2ccon2)CC1 ZINC001173325807 975275137 /nfs/dbraw/zinc/27/51/37/975275137.db2.gz OKBZFVOIXBUJQB-UHFFFAOYSA-N 1 0 219.288 2.237 20 30 BEEDRO Cc1cnc(CC[NH3+])n1C1CCC(CC#N)CC1 ZINC001173324994 975275460 /nfs/dbraw/zinc/27/54/60/975275460.db2.gz BKOYQKRRUZUSPV-UHFFFAOYSA-N 1 0 246.358 2.338 20 30 BEEDRO CCC[C@H](CO)[NH2+]C1CCC(CC#N)CC1 ZINC001173329663 975277838 /nfs/dbraw/zinc/27/78/38/975277838.db2.gz LBQOLJHKKWJLES-WXRRBKDZSA-N 1 0 224.348 2.209 20 30 BEEDRO N#CCC1CCC(n2cc(CC[NH3+])cn2)CC1 ZINC001173329736 975278883 /nfs/dbraw/zinc/27/88/83/975278883.db2.gz MEICCTXQXKWJER-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO Cc1nccc(C[NH2+]C2CCC(CC#N)CC2)n1 ZINC001173329865 975278920 /nfs/dbraw/zinc/27/89/20/975278920.db2.gz KUXKWGOYUCJTJI-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO COC1(C)C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173330977 975280992 /nfs/dbraw/zinc/28/09/92/975280992.db2.gz INZKGZIDQMEFQD-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCC1CCC(n2ncc3c2CC[NH2+]C3)CC1 ZINC001173332331 975282320 /nfs/dbraw/zinc/28/23/20/975282320.db2.gz ZJBJMZPJUHQMMG-UHFFFAOYSA-N 1 0 244.342 2.174 20 30 BEEDRO CO[C@H](C)C1C[NH+](C2CCC(CC#N)CC2)C1 ZINC001173336903 975282938 /nfs/dbraw/zinc/28/29/38/975282938.db2.gz QTKPGBVNIZCWQL-LKSINWNRSA-N 1 0 236.359 2.426 20 30 BEEDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2C1CCC(CC#N)CC1 ZINC001173341179 975286391 /nfs/dbraw/zinc/28/63/91/975286391.db2.gz QQHVFXXJTCQUSP-WUCCLRPBSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CCOC1CCC([N@@H+]2C=C(N)C=CC2)CC1 ZINC001173316973 975304028 /nfs/dbraw/zinc/30/40/28/975304028.db2.gz QCFSYLCTKJQJES-UHFFFAOYSA-N 1 0 234.343 2.172 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](CC)C[C@@](C)(O)CC ZINC001332880212 975307744 /nfs/dbraw/zinc/30/77/44/975307744.db2.gz FOIVBUUPGFCBRY-UPJWGTAASA-N 1 0 229.364 2.107 20 30 BEEDRO Cc1cc(C)nc(O[C@H](CC#N)C[N+](C)(C)C)c1 ZINC001227248315 975328751 /nfs/dbraw/zinc/32/87/51/975328751.db2.gz UXKGMEYAFFTHEK-CYBMUJFWSA-N 1 0 248.350 2.066 20 30 BEEDRO C#CC[N@@H+](Cc1cncc(OC)c1C)CC1CC1 ZINC001332974949 975349028 /nfs/dbraw/zinc/34/90/28/975349028.db2.gz GBZROPMOIUUPRQ-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@@H](O)c1cccc(C)c1 ZINC001332982678 975357346 /nfs/dbraw/zinc/35/73/46/975357346.db2.gz WRJYIUORWLRRBO-OAHLLOKOSA-N 1 0 249.354 2.163 20 30 BEEDRO COC(=O)CCCC[C@H](C)[NH2+]CCCS ZINC001173440869 975375766 /nfs/dbraw/zinc/37/57/66/975375766.db2.gz JGCUQMVZSXJPRI-JTQLQIEISA-N 1 0 233.377 2.018 20 30 BEEDRO C=CCC[NH2+]C1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001333037724 975378966 /nfs/dbraw/zinc/37/89/66/975378966.db2.gz XEDJFHXGLIGXSC-PNESKVBLSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)([NH2+]CC1(C#N)CC1)[C@@H]1CCCCO1 ZINC001333054846 975390268 /nfs/dbraw/zinc/39/02/68/975390268.db2.gz QVGSIUWDBKKAFX-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C[N@H+](CC1CCC(O)CC1)[C@@H]1CCC[C@H]1C#N 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C[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)CC(F)F ZINC001335518555 977114679 /nfs/dbraw/zinc/11/46/79/977114679.db2.gz KWRQCNGUNZLIHC-UWVGGRQHSA-N 1 0 248.317 2.168 20 30 BEEDRO C#CC[N@H+](CCCCCn1cccn1)CC1CC1 ZINC001335591377 977171393 /nfs/dbraw/zinc/17/13/93/977171393.db2.gz XOJCSXRWEYBMLQ-UHFFFAOYSA-N 1 0 245.370 2.399 20 30 BEEDRO C=C[C@@H](C)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230508091 977225790 /nfs/dbraw/zinc/22/57/90/977225790.db2.gz TVGNZFARNLGKTF-SSDOTTSWSA-N 1 0 203.245 2.098 20 30 BEEDRO CC#C[C@H](CC)Oc1ccc2[nH]c(N)[nH+]c2c1 ZINC001230519158 977233475 /nfs/dbraw/zinc/23/34/75/977233475.db2.gz YPFNORCJJHEXEW-VIFPVBQESA-N 1 0 229.283 2.326 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC ZINC001230551342 977242704 /nfs/dbraw/zinc/24/27/04/977242704.db2.gz DDTDEIRSCYBNOX-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccc1C#N ZINC001230639689 977276406 /nfs/dbraw/zinc/27/64/06/977276406.db2.gz QZPVGVRWWHUTAY-JTQLQIEISA-N 1 0 237.298 2.171 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC ZINC001230795632 977334709 /nfs/dbraw/zinc/33/47/09/977334709.db2.gz QSNJJMIDQPQVQJ-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO N#CCC1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000260252753 977351077 /nfs/dbraw/zinc/35/10/77/977351077.db2.gz XFWLLMCJCHIQNI-UHFFFAOYSA-N 1 0 203.289 2.140 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC001335933964 977372126 /nfs/dbraw/zinc/37/21/26/977372126.db2.gz OVDDVVIBTHGCET-CYBMUJFWSA-N 1 0 205.301 2.194 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+]1CCCC1(C)C ZINC001335947795 977377286 /nfs/dbraw/zinc/37/72/86/977377286.db2.gz HUYHUXLQDOWVIV-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CCn3cncc3C2)CC1 ZINC001335999832 977414241 /nfs/dbraw/zinc/41/42/41/977414241.db2.gz CILNNEXCVOWJJK-UHFFFAOYSA-N 1 0 244.342 2.029 20 30 BEEDRO C=CCCC(=O)N(C)C[C@@H]1CC[N@@H+]1CC(=C)C ZINC001231121506 977492239 /nfs/dbraw/zinc/49/22/39/977492239.db2.gz DXSDPKCHRCZSIH-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO CC[C@H](CC#N)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC000721614494 977568401 /nfs/dbraw/zinc/56/84/01/977568401.db2.gz MPNAEZHSTXMNHQ-CABCVRRESA-N 1 0 243.354 2.064 20 30 BEEDRO C[N@@H+]1CCC=C(Nc2cccc(F)c2C#N)C1 ZINC001175576737 977585885 /nfs/dbraw/zinc/58/58/85/977585885.db2.gz SBEGDNUIMVYTNO-UHFFFAOYSA-N 1 0 231.274 2.329 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CC3CCC2CC3)c1 ZINC000721623716 977592075 /nfs/dbraw/zinc/59/20/75/977592075.db2.gz QEMMEFQLMZTCGJ-UHFFFAOYSA-N 1 0 227.311 2.328 20 30 BEEDRO COc1cccc(NC2=CCC[N@H+](C)C2)c1C#N ZINC001175579963 977598861 /nfs/dbraw/zinc/59/88/61/977598861.db2.gz IWXWATGFINQVIC-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO C#Cc1ccccc1NC1=CCC[N@@H+](C)C1 ZINC001175580777 977604817 /nfs/dbraw/zinc/60/48/17/977604817.db2.gz SQXKWMGUNQAYMS-UHFFFAOYSA-N 1 0 212.296 2.299 20 30 BEEDRO C=CC[N@@H+](C)Cc1c[nH]c2cccnc12 ZINC001231491094 977611497 /nfs/dbraw/zinc/61/14/97/977611497.db2.gz DSSSPMYTTUZYGH-UHFFFAOYSA-N 1 0 201.273 2.181 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC001336291297 977617685 /nfs/dbraw/zinc/61/76/85/977617685.db2.gz QEKPNCIADRQJSO-OLZOCXBDSA-N 1 0 236.359 2.086 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c1 ZINC001231656053 977668090 /nfs/dbraw/zinc/66/80/90/977668090.db2.gz DVQVSNUVTTURDT-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c1 ZINC001231658556 977670505 /nfs/dbraw/zinc/67/05/05/977670505.db2.gz YZWVVEXSDQZODP-CJNGLKHVSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c1 ZINC001231658558 977670886 /nfs/dbraw/zinc/67/08/86/977670886.db2.gz YZWVVEXSDQZODP-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO C#Cc1cccnc1NC[C@@H](CC)[NH+]1CCCC1 ZINC001336460772 977695234 /nfs/dbraw/zinc/69/52/34/977695234.db2.gz AZSIRVFVBBETGV-CQSZACIVSA-N 1 0 243.354 2.349 20 30 BEEDRO C#Cc1cccnc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC001336477531 977710374 /nfs/dbraw/zinc/71/03/74/977710374.db2.gz ASUCZYKCVAGANB-KBPBESRZSA-N 1 0 241.338 2.102 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C#CC[N@H+]1CCC[C@H](Nc2cc(F)cc(C)n2)C1 ZINC001336710511 977876260 /nfs/dbraw/zinc/87/62/60/977876260.db2.gz JFIATZMUXIWVRY-ZDUSSCGKSA-N 1 0 247.317 2.039 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC001336721531 977883690 /nfs/dbraw/zinc/88/36/90/977883690.db2.gz IXTSSOUHCMBLTI-SDDRHHMPSA-N 1 0 243.322 2.174 20 30 BEEDRO N#Cc1cccc(Nc2[nH]cc[nH+]2)c1F ZINC001176084897 977886324 /nfs/dbraw/zinc/88/63/24/977886324.db2.gz UDSZITZZSMZVSN-UHFFFAOYSA-N 1 0 202.192 2.164 20 30 BEEDRO C=CCOC(=O)c1ccccc1Nc1[nH]cc[nH+]1 ZINC001176085308 977887668 /nfs/dbraw/zinc/88/76/68/977887668.db2.gz KDFGFGAJRBYRGF-UHFFFAOYSA-N 1 0 243.266 2.496 20 30 BEEDRO COc1ccc(C#N)c(Nc2[nH]cc[nH+]2)c1 ZINC001176084943 977888209 /nfs/dbraw/zinc/88/82/09/977888209.db2.gz XPJAPHNFNUKLFE-UHFFFAOYSA-N 1 0 214.228 2.034 20 30 BEEDRO N#Cc1c(F)cc(Nc2[nH]cc[nH+]2)cc1F ZINC001176090278 977891677 /nfs/dbraw/zinc/89/16/77/977891677.db2.gz AXWHVOACGTVRHM-UHFFFAOYSA-N 1 0 220.182 2.303 20 30 BEEDRO N#Cc1c(F)cc(F)cc1Nc1[nH]cc[nH+]1 ZINC001176090507 977894577 /nfs/dbraw/zinc/89/45/77/977894577.db2.gz IMWHJTMAEUWSSI-UHFFFAOYSA-N 1 0 220.182 2.303 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC001336734323 977894928 /nfs/dbraw/zinc/89/49/28/977894928.db2.gz XICTWXAMTUKMIM-CABCVRRESA-N 1 0 249.354 2.027 20 30 BEEDRO Cc1cnc(C#N)c(Nc2cc(C)[nH+]c(C)c2)c1 ZINC001176054753 977903388 /nfs/dbraw/zinc/90/33/88/977903388.db2.gz KZESIBSZFFQIHX-UHFFFAOYSA-N 1 0 238.294 2.439 20 30 BEEDRO COc1ccncc1Nc1ccc(N)cc1C#N ZINC001176124482 977959004 /nfs/dbraw/zinc/95/90/04/977959004.db2.gz OYEOXONZHOYAKF-UHFFFAOYSA-N 1 0 240.266 2.288 20 30 BEEDRO COc1ccncc1Nc1ccc(O)c(C#N)c1 ZINC001176124909 977959114 /nfs/dbraw/zinc/95/91/14/977959114.db2.gz RNDIQSCCIHNTPH-UHFFFAOYSA-N 1 0 241.250 2.411 20 30 BEEDRO C=CC[NH2+]CCCC[C@H](C)NC(=O)C(C)(C)C ZINC001176284689 978009879 /nfs/dbraw/zinc/00/98/79/978009879.db2.gz IZGNXZZAXLZIGZ-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CCCN(CCC#N)Cc1ccc(N)nc1C 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/nfs/dbraw/zinc/46/92/90/978469290.db2.gz OOMIRWTYPOGDGC-UHFFFAOYSA-N 1 0 247.317 2.359 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]nc2cc(F)ccc21 ZINC001233122628 978474179 /nfs/dbraw/zinc/47/41/79/978474179.db2.gz DIYUWCNWHRPYLQ-UHFFFAOYSA-N 1 0 219.263 2.320 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)CCC ZINC001277770638 978478196 /nfs/dbraw/zinc/47/81/96/978478196.db2.gz GTYOCFLWGRXRLX-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#Cc1ccc(N2CCC[C@@H]([NH2+]C(C)C)C2)nc1 ZINC001337756475 978484932 /nfs/dbraw/zinc/48/49/32/978484932.db2.gz FSEFJSYYKVDTJH-CQSZACIVSA-N 1 0 243.354 2.030 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC)[C@H]1C ZINC001178143272 978513211 /nfs/dbraw/zinc/51/32/11/978513211.db2.gz DCWJJSUMAUCYPI-AVGNSLFASA-N 1 0 238.375 2.188 20 30 BEEDRO C#Cc1ccc(N[C@@H](C)C[NH+](CC)CC)nc1 ZINC001337848780 978523981 /nfs/dbraw/zinc/52/39/81/978523981.db2.gz XLWLTZXZKZLWKQ-LBPRGKRZSA-N 1 0 231.343 2.205 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@H](CC)c1ccccc1 ZINC001178322527 978548828 /nfs/dbraw/zinc/54/88/28/978548828.db2.gz XRYKTKQVSWIJCO-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C#Cc1ccc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc1 ZINC001337885626 978548925 /nfs/dbraw/zinc/54/89/25/978548925.db2.gz UKJGXRLAYBKTGQ-YPMHNXCESA-N 1 0 241.338 2.100 20 30 BEEDRO C=CCNC(=O)C[NH2+]C[C@@H](CC)c1ccccc1 ZINC001178322526 978550950 /nfs/dbraw/zinc/55/09/50/978550950.db2.gz XRYKTKQVSWIJCO-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C2CC=CC2)[C@H]1C ZINC001178401070 978558524 /nfs/dbraw/zinc/55/85/24/978558524.db2.gz IMXAEJUGKVBLDT-JSGCOSHPSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(Cl)ncn1CC ZINC001178705657 978618292 /nfs/dbraw/zinc/61/82/92/978618292.db2.gz YGQQDQFRNBGDSF-UHFFFAOYSA-N 1 0 213.712 2.222 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]CC)[C@@H]1C ZINC001178791418 978629422 /nfs/dbraw/zinc/62/94/22/978629422.db2.gz AOFUFFOLPZWDJO-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccc(Cl)cc1 ZINC001338503928 978698974 /nfs/dbraw/zinc/69/89/74/978698974.db2.gz DLJQABHXOULHDC-KBPBESRZSA-N 1 0 249.741 2.375 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@H](CC=C)C1 ZINC001179489994 978712717 /nfs/dbraw/zinc/71/27/17/978712717.db2.gz ZVMBSTZZFVRNBQ-MJBXVCDLSA-N 1 0 221.344 2.095 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CC[C@@H](CC=C)C2)C1 ZINC001179579240 978724708 /nfs/dbraw/zinc/72/47/08/978724708.db2.gz NQIYSSIQOYXQEE-PMPSAXMXSA-N 1 0 246.398 2.418 20 30 BEEDRO C#Cc1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc1 ZINC001233967910 978743874 /nfs/dbraw/zinc/74/38/74/978743874.db2.gz SEGHTRCPAXJSBY-BTTYYORXSA-N 1 0 242.322 2.067 20 30 BEEDRO CC(=NO)c1ccc(O[C@H]2CCC[N@@H+](C)C2)cc1 ZINC001234083381 978768712 /nfs/dbraw/zinc/76/87/12/978768712.db2.gz KSLZCQQSYOEOOQ-AWEZNQCLSA-N 1 0 248.326 2.358 20 30 BEEDRO C#C[C@H](CC)Oc1cccc2c1CC[N@H+](C)C2 ZINC001234423421 978832285 /nfs/dbraw/zinc/83/22/85/978832285.db2.gz KEZISMCEGNRZBH-CYBMUJFWSA-N 1 0 229.323 2.465 20 30 BEEDRO COc1cc(O[C@@H]2CCC[N@H+](C)C2)ccc1C#N ZINC001234500461 978851430 /nfs/dbraw/zinc/85/14/30/978851430.db2.gz ZWCBVVRNLVGBIT-CYBMUJFWSA-N 1 0 246.310 2.040 20 30 BEEDRO C#Cc1ccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)nc1 ZINC001339537051 978865547 /nfs/dbraw/zinc/86/55/47/978865547.db2.gz WDGIXDNQIGKSJW-KGLIPLIRSA-N 1 0 241.338 2.102 20 30 BEEDRO CC[N@@H+]1CCC[C@@H](Oc2ccccc2C=NO)C1 ZINC001234820019 978906319 /nfs/dbraw/zinc/90/63/19/978906319.db2.gz RCNLDXZZRCVPCE-CYBMUJFWSA-N 1 0 248.326 2.358 20 30 BEEDRO COc1cc(C#N)cc(C)c1O[C@H](C)C[NH+](C)C ZINC001234865779 978921958 /nfs/dbraw/zinc/92/19/58/978921958.db2.gz YCPYTMUJAVKYHJ-LLVKDONJSA-N 1 0 248.326 2.204 20 30 BEEDRO C=CCCCC(=O)N(C)C[C@H](C)[NH2+]CC1CC1 ZINC001277921126 978971933 /nfs/dbraw/zinc/97/19/33/978971933.db2.gz DWFADNMISOAAIU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N(C)C ZINC001340128389 978975029 /nfs/dbraw/zinc/97/50/29/978975029.db2.gz MHBIUNBLWSDFBI-LLVKDONJSA-N 1 0 214.353 2.153 20 30 BEEDRO CCCCCCCC[C@@H]([NH3+])C(=O)N(C)OC ZINC001340129999 978976361 /nfs/dbraw/zinc/97/63/61/978976361.db2.gz XQTRTNBBSUAIAM-LLVKDONJSA-N 1 0 230.352 2.084 20 30 BEEDRO C=C(C)CNC(=O)CC[N@@H+](C)Cc1ccccc1 ZINC001181140018 979011449 /nfs/dbraw/zinc/01/14/49/979011449.db2.gz FVADCCBBRNCSRQ-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C[N@H+](Cc1ccccc1CC#N)C1CC1 ZINC001235511613 979058881 /nfs/dbraw/zinc/05/88/81/979058881.db2.gz JNXSTENKWODWAQ-UHFFFAOYSA-N 1 0 200.285 2.347 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2ccccc2CC#N)C1 ZINC001235511336 979061712 /nfs/dbraw/zinc/06/17/12/979061712.db2.gz GULXXHGNYPEEBW-ZDUSSCGKSA-N 1 0 244.338 2.221 20 30 BEEDRO N#CCc1ccccc1C[NH+]1CC2(CSC2)C1 ZINC001235528116 979072558 /nfs/dbraw/zinc/07/25/58/979072558.db2.gz NDUKDXVKAYVLFQ-UHFFFAOYSA-N 1 0 244.363 2.301 20 30 BEEDRO N#CCc1ccccc1CN1CCOC2(CC2)C1 ZINC001235527657 979074225 /nfs/dbraw/zinc/07/42/25/979074225.db2.gz KRMMHKCFJRIOEI-UHFFFAOYSA-N 1 0 242.322 2.117 20 30 BEEDRO C[C@@H]1CN(Cc2ccccc2CC#N)[C@@H](C)CO1 ZINC001235528291 979074322 /nfs/dbraw/zinc/07/43/22/979074322.db2.gz PNDJIYREPMQWPX-QWHCGFSZSA-N 1 0 244.338 2.362 20 30 BEEDRO C=CCCN(Cc1ccccc1)C[C@@H](C)[NH3+] ZINC001235702599 979127651 /nfs/dbraw/zinc/12/76/51/979127651.db2.gz NABWQJAVKFEBQO-CYBMUJFWSA-N 1 0 218.344 2.412 20 30 BEEDRO C=CCCCCCCN(C)[C@@H]1CC[NH2+]C1 ZINC001235734777 979139992 /nfs/dbraw/zinc/13/99/92/979139992.db2.gz HENGCEDOQRCMGS-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH2+]CCC1(C)C ZINC001340900327 979147154 /nfs/dbraw/zinc/14/71/54/979147154.db2.gz KVJWIQNFJRTFGE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC001340929848 979164053 /nfs/dbraw/zinc/16/40/53/979164053.db2.gz LXQBRGZMOBBJJY-FMCLSXCISA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)CC(C)C ZINC001340974587 979178999 /nfs/dbraw/zinc/17/89/99/979178999.db2.gz XLIXVELZQFYKHN-NEPJUHHUSA-N 1 0 226.364 2.221 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CCC1CC1 ZINC001341041405 979203867 /nfs/dbraw/zinc/20/38/67/979203867.db2.gz KRLAVLBCLMVGDW-DGCLKSJQSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)CCC1CC1 ZINC001341041403 979205395 /nfs/dbraw/zinc/20/53/95/979205395.db2.gz KRLAVLBCLMVGDW-AAEUAGOBSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001181850551 979340173 /nfs/dbraw/zinc/34/01/73/979340173.db2.gz ZSTBTRSYLZKUDI-WBTMPAOCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)[C@@H](C)CC ZINC001341337518 979340333 /nfs/dbraw/zinc/34/03/33/979340333.db2.gz TUBZORYNOBDWKT-NWDGAFQWSA-N 1 0 226.364 2.317 20 30 BEEDRO C=CC[NH2+]CCN1Cc2ccccc2C[C@@H]1C ZINC001236071173 979358787 /nfs/dbraw/zinc/35/87/87/979358787.db2.gz DRRJRIJFZFRZGJ-ZDUSSCGKSA-N 1 0 230.355 2.209 20 30 BEEDRO C=CC[NH2+]CCN(CC)Cc1ccc(OC)cc1 ZINC001236102156 979388150 /nfs/dbraw/zinc/38/81/50/979388150.db2.gz RPEQPNWDASIGDL-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@@H](C)C[C@@H]1CC ZINC001341463476 979413840 /nfs/dbraw/zinc/41/38/40/979413840.db2.gz FZKQOZQCQPDMOK-AVGNSLFASA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1C[C@H](C)CC[C@H]1C ZINC001341466453 979417390 /nfs/dbraw/zinc/41/73/90/979417390.db2.gz QZYSBQQKAHWJTG-UPJWGTAASA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCCCCCCCN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236282184 979484419 /nfs/dbraw/zinc/48/44/19/979484419.db2.gz JDXNAKKTJRNYSG-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001236281834 979485102 /nfs/dbraw/zinc/48/51/02/979485102.db2.gz FJZRFWVRCCUUQA-ILXRZTDVSA-N 1 0 232.371 2.193 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2C[C@@H]3[NH2+]C[C@H]3C2)CC1 ZINC001236284367 979487382 /nfs/dbraw/zinc/48/73/82/979487382.db2.gz OMCRYSPRYNNJOQ-ILXRZTDVSA-N 1 0 232.371 2.193 20 30 BEEDRO N#CCCCCc1ccc(N2CC[NH2+]CC2)cc1 ZINC001250066685 979556513 /nfs/dbraw/zinc/55/65/13/979556513.db2.gz NXLLQVPUPHNKCJ-UHFFFAOYSA-N 1 0 243.354 2.333 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N(CCC)C1CC1 ZINC001341892165 979586527 /nfs/dbraw/zinc/58/65/27/979586527.db2.gz VDGBPGFUXCAOBT-LBPRGKRZSA-N 1 0 224.348 2.071 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC001342005223 979616241 /nfs/dbraw/zinc/61/62/41/979616241.db2.gz QXXCKZQICDOZQA-GFCCVEGCSA-N 1 0 246.354 2.364 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[C@@H](F)C1 ZINC001342009485 979616712 /nfs/dbraw/zinc/61/67/12/979616712.db2.gz VSFFIPHIKJXPNM-UTUOFQBUSA-N 1 0 242.338 2.067 20 30 BEEDRO C=CC[NH2+]CCN1CCc2cc(C)ccc2C1 ZINC001236604370 979677480 /nfs/dbraw/zinc/67/74/80/979677480.db2.gz GNJGROSULSPGOU-UHFFFAOYSA-N 1 0 230.355 2.129 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C/C=C(\C)C=C ZINC001479238246 979681357 /nfs/dbraw/zinc/68/13/57/979681357.db2.gz WFDOAWVGQDKKFO-WTWVRAIASA-N 1 0 248.370 2.228 20 30 BEEDRO CC[C@H]([NH3+])CN(C)CCCc1ccc(C#N)cc1 ZINC001236859104 979765702 /nfs/dbraw/zinc/76/57/02/979765702.db2.gz HTULLJTUCZWZET-HNNXBMFYSA-N 1 0 245.370 2.160 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC[C@]1(C)CC1(C)C ZINC001342458963 979806942 /nfs/dbraw/zinc/80/69/42/979806942.db2.gz UGWPCNNUJVSCFQ-RISCZKNCSA-N 1 0 238.375 2.222 20 30 BEEDRO CCCCC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000691640240 979823934 /nfs/dbraw/zinc/82/39/34/979823934.db2.gz AKPNHFDINJOGEB-NEPJUHHUSA-N 1 0 239.363 2.093 20 30 BEEDRO Cc1ccnc(C[NH2+]C[C@H](C)CCC#N)c1 ZINC001183597937 979855445 /nfs/dbraw/zinc/85/54/45/979855445.db2.gz WABWOSSNHXCHGP-GFCCVEGCSA-N 1 0 217.316 2.420 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H]1CCN(C(C)=O)C[C@@H]1C ZINC001183650964 979861931 /nfs/dbraw/zinc/86/19/31/979861931.db2.gz VZPGLBBMWNADLG-GXTWGEPZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+]C/C=C/c1ccccc1OC ZINC001342725520 979877912 /nfs/dbraw/zinc/87/79/12/979877912.db2.gz AKTXANZVFLMKMB-RCQQVGEISA-N 1 0 247.338 2.499 20 30 BEEDRO Cn1cc(C[NH+]2CCC2)c2cc(C#N)ccc21 ZINC001237465387 979895897 /nfs/dbraw/zinc/89/58/97/979895897.db2.gz IIQDPYDLFQEQBE-UHFFFAOYSA-N 1 0 225.295 2.256 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(C(=O)OC)nc1 ZINC001237447413 979895908 /nfs/dbraw/zinc/89/59/08/979895908.db2.gz ARVWKKMNIDCSCW-UHFFFAOYSA-N 1 0 248.326 2.266 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)C1CC1 ZINC001342834077 979910868 /nfs/dbraw/zinc/91/08/68/979910868.db2.gz WBTZJPYUWJUMPZ-JTQLQIEISA-N 1 0 244.766 2.009 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)/C(C)=C/CC)C2 ZINC001110344942 979961719 /nfs/dbraw/zinc/96/17/19/979961719.db2.gz CIKDMFCTDLTNSJ-HBFFOZPESA-N 1 0 248.370 2.250 20 30 BEEDRO C[C@@H]1CCC[N@@H+]1Cc1cn2cc(C#N)ccc2n1 ZINC001237605382 979965051 /nfs/dbraw/zinc/96/50/51/979965051.db2.gz VPEKISHRSRUFNJ-LLVKDONJSA-N 1 0 240.310 2.190 20 30 BEEDRO CCC[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237605426 979966518 /nfs/dbraw/zinc/96/65/18/979966518.db2.gz WNSQMXGYKMJCCZ-UHFFFAOYSA-N 1 0 228.299 2.048 20 30 BEEDRO CC(C)[N@H+](C)Cc1cn2cc(C#N)ccc2n1 ZINC001237605042 979967021 /nfs/dbraw/zinc/96/70/21/979967021.db2.gz VFVIFMSAHWIPGD-UHFFFAOYSA-N 1 0 228.299 2.046 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC#Cc1ccccc1 ZINC001343002236 979972187 /nfs/dbraw/zinc/97/21/87/979972187.db2.gz QQJGNERMCYCSFH-ZBFHGGJFSA-N 1 0 243.350 2.443 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001343015091 979976187 /nfs/dbraw/zinc/97/61/87/979976187.db2.gz UGUQOLREYZGJHU-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC001343010325 979977245 /nfs/dbraw/zinc/97/72/45/979977245.db2.gz INCSHYGPUNUYEU-RYUDHWBXSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[N@@H+](C)Cc1cnn(CC2CCC2)c1 ZINC001343040574 979991818 /nfs/dbraw/zinc/99/18/18/979991818.db2.gz VVKGGFWTBNIZEY-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO CCc1n[nH]cc1C[N@@H+]1CCC[C@H](C#N)CC1 ZINC001237652983 980007495 /nfs/dbraw/zinc/00/74/95/980007495.db2.gz AOLZHNPYKXHPKY-NSHDSACASA-N 1 0 232.331 2.098 20 30 BEEDRO C=CCCCC(=O)Nc1ccccc1C[NH3+] ZINC001343110823 980012085 /nfs/dbraw/zinc/01/20/85/980012085.db2.gz WYQIGCUJNWYHMA-UHFFFAOYSA-N 1 0 218.300 2.440 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]nc1CC ZINC001237660194 980020997 /nfs/dbraw/zinc/02/09/97/980020997.db2.gz WHKIRZYMTGWBRV-UHFFFAOYSA-N 1 0 207.321 2.370 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)CC1 ZINC001343206964 980038219 /nfs/dbraw/zinc/03/82/19/980038219.db2.gz ZIRKZJQGJXSVOQ-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)[NH2+]C1CC1 ZINC001343233094 980043714 /nfs/dbraw/zinc/04/37/14/980043714.db2.gz LVIFYIGBWJBSOQ-DGCLKSJQSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cc(C)ccn1 ZINC001343338568 980071081 /nfs/dbraw/zinc/07/10/81/980071081.db2.gz CEKSJWNUAVFXMF-LLVKDONJSA-N 1 0 233.315 2.012 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)[C@@H](C)[NH2+]CCC ZINC001343343600 980075369 /nfs/dbraw/zinc/07/53/69/980075369.db2.gz HIGSSARZZICQET-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC001343345797 980075384 /nfs/dbraw/zinc/07/53/84/980075384.db2.gz XMLHAERENFIFSR-SFDCQRBFSA-N 1 0 248.370 2.071 20 30 BEEDRO COc1ccc(C#N)cc1CCC[NH+](C)C ZINC001250160734 980117200 /nfs/dbraw/zinc/11/72/00/980117200.db2.gz DUDTYUXXBAVWOO-UHFFFAOYSA-N 1 0 218.300 2.061 20 30 BEEDRO COc1ccc(CC[NH+]2CCCC2)cc1C#N ZINC001250166232 980126259 /nfs/dbraw/zinc/12/62/59/980126259.db2.gz KACZSYOQUZNXMS-UHFFFAOYSA-N 1 0 230.311 2.205 20 30 BEEDRO C[NH+](C)CCCc1ccc(OCC#N)cc1 ZINC001250163848 980126598 /nfs/dbraw/zinc/12/65/98/980126598.db2.gz AAJGATDQEHLDNE-UHFFFAOYSA-N 1 0 218.300 2.083 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC001185063632 980163930 /nfs/dbraw/zinc/16/39/30/980163930.db2.gz DIDFZJZTSMHQEC-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN1CCN(Cc2ncc(C)cc2C)CC1 ZINC001238429500 980258312 /nfs/dbraw/zinc/25/83/12/980258312.db2.gz MRCHBIGSFKAJOL-UHFFFAOYSA-N 1 0 245.370 2.002 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC[C@@H](C)CC ZINC001343987588 980308698 /nfs/dbraw/zinc/30/86/98/980308698.db2.gz UOTQSBQOKCPRLR-RYUDHWBXSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001186032440 980313201 /nfs/dbraw/zinc/31/32/01/980313201.db2.gz SGLYXIMHAWYMPO-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO CCc1cc(C[N@@H+]2CCC[C@@H]2CO)ccc1C#N ZINC001238761919 980317755 /nfs/dbraw/zinc/31/77/55/980317755.db2.gz ZAZICQXPXLWABC-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO CCc1cc(C[N@@H+]2CC[C@@H](OC)C2)ccc1C#N ZINC001238767427 980322749 /nfs/dbraw/zinc/32/27/49/980322749.db2.gz UYSSSMHJCCIDSX-OAHLLOKOSA-N 1 0 244.338 2.341 20 30 BEEDRO CCc1cc(C[N@@H+]2CCCOCC2)ccc1C#N ZINC001238766393 980323547 /nfs/dbraw/zinc/32/35/47/980323547.db2.gz LCXVYXIXZYEQEQ-UHFFFAOYSA-N 1 0 244.338 2.343 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cc2ccccc2[nH]1 ZINC001344056800 980327391 /nfs/dbraw/zinc/32/73/91/980327391.db2.gz WCPXISWBBRRLNU-LBPRGKRZSA-N 1 0 230.311 2.459 20 30 BEEDRO C=C[C@@H](CC)CC(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC001344049922 980328741 /nfs/dbraw/zinc/32/87/41/980328741.db2.gz HKNXCRBTYDZLPY-STQMWFEESA-N 1 0 239.359 2.474 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccn1C1CC1)[C@H]1CCCO1 ZINC001344068665 980335928 /nfs/dbraw/zinc/33/59/28/980335928.db2.gz FXAOURXWVFEVPI-HUUCEWRRSA-N 1 0 244.338 2.093 20 30 BEEDRO N#Cc1cc2nc(C3=CCC[NH2+]CC3)ccc2[nH]1 ZINC001238937608 980373491 /nfs/dbraw/zinc/37/34/91/980373491.db2.gz XZANHICFBHTFRF-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C=C[C@H](CC)OC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001344595588 980442129 /nfs/dbraw/zinc/44/21/29/980442129.db2.gz YGTJXQCYLUUCOJ-VXGBXAGGSA-N 1 0 225.332 2.367 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1C[NH2+]C ZINC001344729099 980458775 /nfs/dbraw/zinc/45/87/75/980458775.db2.gz DVZHLRZKMSBKGR-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCCNC(=O)NC1CC([NH3+])C1 ZINC001239211765 980499040 /nfs/dbraw/zinc/49/90/40/980499040.db2.gz FDWFWWNZWGCPCV-UHFFFAOYSA-N 1 0 241.379 2.136 20 30 BEEDRO CCCCCCCNC(=O)N[C@H]1C[NH2+][C@H](C)C1 ZINC001239237593 980501154 /nfs/dbraw/zinc/50/11/54/980501154.db2.gz RDCMNSBWEMWGEA-VXGBXAGGSA-N 1 0 241.379 2.006 20 30 BEEDRO CCCCCCCNC(=O)N[C@H]1C[C@@H]([NH2+]C)C1 ZINC001239255216 980503159 /nfs/dbraw/zinc/50/31/59/980503159.db2.gz BUKVQGPRSWNJAI-TXEJJXNPSA-N 1 0 241.379 2.006 20 30 BEEDRO C#CCCCC(=O)OC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001344973033 980508979 /nfs/dbraw/zinc/50/89/79/980508979.db2.gz ZKINFYRIEHSFNT-AWEZNQCLSA-N 1 0 249.354 2.208 20 30 BEEDRO CCCCCCCCOC(=O)NCCC[NH3+] ZINC001239318629 980518716 /nfs/dbraw/zinc/51/87/16/980518716.db2.gz JGZXFSXDGLBZKI-UHFFFAOYSA-N 1 0 230.352 2.422 20 30 BEEDRO CCCCCCCNC(=O)N(CC)CC[NH2+]C ZINC001239293507 980521565 /nfs/dbraw/zinc/52/15/65/980521565.db2.gz QGMDGFOZQIUCEL-UHFFFAOYSA-N 1 0 243.395 2.208 20 30 BEEDRO CCCCCCCCOC(=O)NC[C@@H]1CC[NH2+]1 ZINC001239319864 980531307 /nfs/dbraw/zinc/53/13/07/980531307.db2.gz UPTKELDOHXSVLY-LBPRGKRZSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCOC(=O)N1CCC[NH2+]CC1 ZINC001239327377 980534678 /nfs/dbraw/zinc/53/46/78/980534678.db2.gz XURKJFPCPGZBRA-UHFFFAOYSA-N 1 0 242.363 2.389 20 30 BEEDRO CCCCCCCNC(=S)NC[C@@H]([NH3+])CC ZINC001239380239 980555845 /nfs/dbraw/zinc/55/58/45/980555845.db2.gz KCFRMPYGYFLMNH-NSHDSACASA-N 1 0 245.436 2.158 20 30 BEEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)/C=C(/C)CC)[C@@H]2C1 ZINC001187787018 980557648 /nfs/dbraw/zinc/55/76/48/980557648.db2.gz IFCYSLMLDDYBIN-JKOFNFNQSA-N 1 0 248.370 2.061 20 30 BEEDRO CCC#CCOC(=O)CN(C)Cc1ccccc1 ZINC001345180301 980577018 /nfs/dbraw/zinc/57/70/18/980577018.db2.gz QVSWIDGVLIUPBE-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CC2CC(OCC)C2)C1 ZINC001345392145 980606699 /nfs/dbraw/zinc/60/66/99/980606699.db2.gz YBDPNDHCVQQMAC-MOKVOYLWSA-N 1 0 239.359 2.078 20 30 BEEDRO C[C@@H](CC[NH+]1CCCC1)OC(=O)CCCC#N ZINC001345531088 980624375 /nfs/dbraw/zinc/62/43/75/980624375.db2.gz BAXYRJIGUQTEGU-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC)C1 ZINC001188633754 980684759 /nfs/dbraw/zinc/68/47/59/980684759.db2.gz IZJPNAOTVWUBQL-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC001188716550 980698736 /nfs/dbraw/zinc/69/87/36/980698736.db2.gz HLOFBRMACUAWFW-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CCC(C)C)C1 ZINC001188821248 980711699 /nfs/dbraw/zinc/71/16/99/980711699.db2.gz NSCWKWBALZQLKW-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]2C[N@H+](CC=C)C[C@H]21 ZINC001188999068 980733086 /nfs/dbraw/zinc/73/30/86/980733086.db2.gz AGMJIFYYXKCVTA-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cc(C#N)ccn1 ZINC001346045441 980736632 /nfs/dbraw/zinc/73/66/32/980736632.db2.gz WOBXSUBDCWFDDM-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001189611822 980808318 /nfs/dbraw/zinc/80/83/18/980808318.db2.gz VOJAGDXVMCMRSE-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(C)Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC001190211583 980859143 /nfs/dbraw/zinc/85/91/43/980859143.db2.gz QXIUSEQCCIIITP-UHFFFAOYSA-N 1 0 246.354 2.097 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([N@@H+](C)CCC)C1 ZINC001190435986 980874926 /nfs/dbraw/zinc/87/49/26/980874926.db2.gz NQXOSWUOBCENCB-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC001346722708 980893349 /nfs/dbraw/zinc/89/33/49/980893349.db2.gz VYACQRRDXMKFEJ-OLZOCXBDSA-N 1 0 238.375 2.140 20 30 BEEDRO Cc1cc(C)c(C#N)c(-c2cncc(C[NH3+])c2)n1 ZINC001239783993 980912919 /nfs/dbraw/zinc/91/29/19/980912919.db2.gz FHJNNWHHAMCMEV-UHFFFAOYSA-N 1 0 238.294 2.091 20 30 BEEDRO N#CCc1cccc(-c2cncc(C[NH3+])c2)c1 ZINC001239797845 980936060 /nfs/dbraw/zinc/93/60/60/980936060.db2.gz WWTNXBIEWQPDKK-UHFFFAOYSA-N 1 0 223.279 2.273 20 30 BEEDRO Cc1cccc(-c2cncc(C[NH3+])c2)c1C#N ZINC001239798249 980938164 /nfs/dbraw/zinc/93/81/64/980938164.db2.gz AMDIORZTPXGYNE-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO N#CCc1ccc(F)c(-c2cncc(C[NH3+])c2)c1 ZINC001239804226 980943098 /nfs/dbraw/zinc/94/30/98/980943098.db2.gz NZNJCSVQCGAGLB-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C/C(=N\O)c1ccc(-c2cncc(C[NH3+])c2)cc1 ZINC001239809470 980949331 /nfs/dbraw/zinc/94/93/31/980949331.db2.gz SUZUGLWHSSKBDF-LICLKQGHSA-N 1 0 241.294 2.406 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(O)(CC)CC1 ZINC001191259264 981002116 /nfs/dbraw/zinc/00/21/16/981002116.db2.gz UWWNUWCVZCJXED-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO C/C=C(\NC=[NH2+])c1cc(F)c(C#N)c(F)c1 ZINC001239913149 981030662 /nfs/dbraw/zinc/03/06/62/981030662.db2.gz ZTJPSNVAVOUYTB-FUQNDXKWSA-N 1 0 221.210 2.394 20 30 BEEDRO CC#CC[N@H+]1CC[C@@H]1Cc1ccc(OC)cc1 ZINC001191495005 981047703 /nfs/dbraw/zinc/04/77/03/981047703.db2.gz FAFMXNVJBYIFAW-CQSZACIVSA-N 1 0 229.323 2.335 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC001347341679 981054029 /nfs/dbraw/zinc/05/40/29/981054029.db2.gz SHMFTLQIQAIDOJ-DZGCQCFKSA-N 1 0 242.322 2.336 20 30 BEEDRO C=C(CC)C(=O)NCCCCC[NH+]1CCCC1 ZINC001347639575 981134264 /nfs/dbraw/zinc/13/42/64/981134264.db2.gz POTQVWGQQOQPEA-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c(C)cnn1COC ZINC001347839894 981191944 /nfs/dbraw/zinc/19/19/44/981191944.db2.gz YWGILDMXFUAXHY-UHFFFAOYSA-N 1 0 237.347 2.097 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@H]1CC2CCC1CC2 ZINC001193020823 981227135 /nfs/dbraw/zinc/22/71/35/981227135.db2.gz DGOQFHNHSMKZKU-YMAMQOFZSA-N 1 0 235.371 2.394 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](OCC)C2CC2)C1 ZINC001348152608 981299531 /nfs/dbraw/zinc/29/95/31/981299531.db2.gz JAZUPSDCGRKWPZ-ZIAGYGMSSA-N 1 0 239.359 2.078 20 30 BEEDRO N#Cc1cc(-c2cccc(N)c2)cc(C2C[NH2+]C2)c1 ZINC001240361287 981316773 /nfs/dbraw/zinc/31/67/73/981316773.db2.gz UTOXWTVNEWAMTM-UHFFFAOYSA-N 1 0 249.317 2.494 20 30 BEEDRO N#CC1(c2ccnc(C3=CC[NH2+]CC3)c2)CC1 ZINC001240466474 981400069 /nfs/dbraw/zinc/40/00/69/981400069.db2.gz KYWAITHPLIGHBL-UHFFFAOYSA-N 1 0 225.295 2.013 20 30 BEEDRO C=C(CC)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC001348590420 981403850 /nfs/dbraw/zinc/40/38/50/981403850.db2.gz FXZPWKSZXJJLDY-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)cc1C ZINC000716938296 981425630 /nfs/dbraw/zinc/42/56/30/981425630.db2.gz XJCIEHIRPKBFPK-OAHLLOKOSA-N 1 0 231.339 2.431 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@@H](OCCCC#N)C1 ZINC001205649299 981483930 /nfs/dbraw/zinc/48/39/30/981483930.db2.gz UMVKKWCCGDJLNR-GFCCVEGCSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@H]1[C@H](CO)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC001193899198 981500430 /nfs/dbraw/zinc/50/04/30/981500430.db2.gz XPCHZHAJWIAYJP-ABXWRUBCSA-N 1 0 236.359 2.019 20 30 BEEDRO N#Cc1ccc2ccnc(C3=CCC[NH2+]C3)c2c1 ZINC001240650759 981557120 /nfs/dbraw/zinc/55/71/20/981557120.db2.gz WKAFTYXTTZLZTD-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO N#CCc1ccc(C2=CCC[NH2+]C2)c(F)c1 ZINC001240659512 981564959 /nfs/dbraw/zinc/56/49/59/981564959.db2.gz UOQHBDJUSOMIJE-UHFFFAOYSA-N 1 0 216.259 2.268 20 30 BEEDRO COc1ccc(C2=CCC[NH2+]C2)c(CC#N)c1 ZINC001240663562 981570052 /nfs/dbraw/zinc/57/00/52/981570052.db2.gz AFRUCAZYBZVQGF-UHFFFAOYSA-N 1 0 228.295 2.138 20 30 BEEDRO N#CCc1cc(C2=CCC[NH2+]C2)ccc1C#N ZINC001240665096 981575431 /nfs/dbraw/zinc/57/54/31/981575431.db2.gz UGDVAKPRZSEYLD-UHFFFAOYSA-N 1 0 223.279 2.001 20 30 BEEDRO N#Cc1cccc(C[NH2+]C/C=C/C2CC2)n1 ZINC001349624681 981599058 /nfs/dbraw/zinc/59/90/58/981599058.db2.gz JJRXKJAVZSVFRA-NSCUHMNNSA-N 1 0 213.284 2.009 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@@]12CCOC2 ZINC001349624062 981599652 /nfs/dbraw/zinc/59/96/52/981599652.db2.gz GKRVHRXERJCCCG-AWEZNQCLSA-N 1 0 221.344 2.435 20 30 BEEDRO Cc1c([C@@H](C)[NH2+]CC2(CC#N)CC2)cnn1C ZINC001349637164 981602733 /nfs/dbraw/zinc/60/27/33/981602733.db2.gz RYORCTIBQTVQIL-SNVBAGLBSA-N 1 0 232.331 2.073 20 30 BEEDRO C=CCOC(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C ZINC001194349439 981711287 /nfs/dbraw/zinc/71/12/87/981711287.db2.gz OKOPKENEKSIGMZ-NEPJUHHUSA-N 1 0 240.347 2.017 20 30 BEEDRO C=CCOC(=O)N[C@H](C)CCC[NH+](CC)CC ZINC001194334193 981760015 /nfs/dbraw/zinc/76/00/15/981760015.db2.gz CTPPWHKNZCSHJK-GFCCVEGCSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCOC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC001194331029 981763206 /nfs/dbraw/zinc/76/32/06/981763206.db2.gz MCWZLKKVIIDVLV-CYBMUJFWSA-N 1 0 248.326 2.202 20 30 BEEDRO N#Cc1cnc2cc[nH]c(C=C3CC[NH2+]CC3)c1-2 ZINC001240873859 981915688 /nfs/dbraw/zinc/91/56/88/981915688.db2.gz JSEQVAOZLAOLGO-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCc1ccc(F)cc1 ZINC001350330220 981928761 /nfs/dbraw/zinc/92/87/61/981928761.db2.gz TUDLPFHVMXXYJE-SWLSCSKDSA-N 1 0 249.329 2.121 20 30 BEEDRO CC#Cc1cncc(C=C2CC[NH2+]CC2)c1 ZINC001240878986 981936507 /nfs/dbraw/zinc/93/65/07/981936507.db2.gz YIHALBQBUIQNIK-UHFFFAOYSA-N 1 0 212.296 2.220 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC001586480633 981996277 /nfs/dbraw/zinc/99/62/77/981996277.db2.gz LQTJEKKWPVAFIL-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC001350965229 982138668 /nfs/dbraw/zinc/13/86/68/982138668.db2.gz NOGXSMHFAKLPKK-UMSGYPCISA-N 1 0 207.317 2.132 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC001350965227 982139179 /nfs/dbraw/zinc/13/91/79/982139179.db2.gz NOGXSMHFAKLPKK-RNJOBUHISA-N 1 0 207.317 2.132 20 30 BEEDRO C=CCCC(=O)N1CCC[N@@H+](CCCC)CC1 ZINC001195231983 982149796 /nfs/dbraw/zinc/14/97/96/982149796.db2.gz GEIPVGXYCMGWTJ-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO Cc1ccccc1C[C@H](C)[N@H+](C)C[C@H](O)CC#N ZINC001351410765 982311661 /nfs/dbraw/zinc/31/16/61/982311661.db2.gz DLXSHQSAPGZUNC-DZGCQCFKSA-N 1 0 246.354 2.132 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cc(C#N)ccn1)C1CC1 ZINC001196198366 982414569 /nfs/dbraw/zinc/41/45/69/982414569.db2.gz JXJVWRHCTQFKRX-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@H]([NH2+]Cc1cc(C#N)ccn1)C1CC1 ZINC001196198367 982418286 /nfs/dbraw/zinc/41/82/86/982418286.db2.gz JXJVWRHCTQFKRX-ZDUSSCGKSA-N 1 0 215.300 2.231 20 30 BEEDRO C#C[C@H]([NH2+]CCc1ccc(F)cc1)[C@@H]1CCCO1 ZINC001352015229 982439977 /nfs/dbraw/zinc/43/99/77/982439977.db2.gz DESNMUAOMYBMHC-GJZGRUSLSA-N 1 0 247.313 2.139 20 30 BEEDRO C#C[C@@H]([NH2+]CCc1ccc(F)cc1)[C@H]1CCCO1 ZINC001352015230 982440347 /nfs/dbraw/zinc/44/03/47/982440347.db2.gz DESNMUAOMYBMHC-HUUCEWRRSA-N 1 0 247.313 2.139 20 30 BEEDRO C[N@H+]1CC=C(c2ccc3c(C#N)c[nH]c3n2)CC1 ZINC001241310956 982459067 /nfs/dbraw/zinc/45/90/67/982459067.db2.gz PFHOPRKVMYQQOX-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO CC(C)CN[NH+]=Cc1cc(C#N)ccc1N(C)C ZINC001352117813 982473290 /nfs/dbraw/zinc/47/32/90/982473290.db2.gz ZGAWALOJFHXGOB-UHFFFAOYSA-N 1 0 244.342 2.204 20 30 BEEDRO C[N@H+]1CC=C(c2ccc(C#N)cc2C#N)CC1 ZINC001241328131 982488716 /nfs/dbraw/zinc/48/87/16/982488716.db2.gz XRDMVEJLCMWCEM-UHFFFAOYSA-N 1 0 223.279 2.149 20 30 BEEDRO C=CCC[NH2+]C1CCN(C(=O)/C(C)=C/C)CC1 ZINC001200012094 982514656 /nfs/dbraw/zinc/51/46/56/982514656.db2.gz NQRQKFLRNZCAHR-LFYBBSHMSA-N 1 0 236.359 2.109 20 30 BEEDRO C[C@H]([NH3+])c1ccc(-c2ccc(C#N)nc2)cn1 ZINC001241438702 982593662 /nfs/dbraw/zinc/59/36/62/982593662.db2.gz XDHSGTZMONISJE-VIFPVBQESA-N 1 0 224.267 2.035 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(c2ncccn2)CC1 ZINC001197947490 982635869 /nfs/dbraw/zinc/63/58/69/982635869.db2.gz LBHODAJQXPRADU-CYBMUJFWSA-N 1 0 243.354 2.458 20 30 BEEDRO C=CCCC[NH+]1CCC(Cc2nncn2C)CC1 ZINC001197949442 982638343 /nfs/dbraw/zinc/63/83/43/982638343.db2.gz ZJZRKIRLZHXZSM-UHFFFAOYSA-N 1 0 248.374 2.036 20 30 BEEDRO C[C@@H]([NH2+]CCCSCC#N)C1(C)CC1 ZINC001198407578 982708363 /nfs/dbraw/zinc/70/83/63/982708363.db2.gz WNIYDCXUQORFCE-SNVBAGLBSA-N 1 0 212.362 2.411 20 30 BEEDRO C[N@@H+]1CCC=C(c2ccc(CC#N)cc2)C1 ZINC001241569173 982815675 /nfs/dbraw/zinc/81/56/75/982815675.db2.gz SHOGXKCWDXIUMH-UHFFFAOYSA-N 1 0 212.296 2.472 20 30 BEEDRO C[N@@H+]1CCC=C(c2ncc3c(c2C#N)CCC3)C1 ZINC001241569349 982817377 /nfs/dbraw/zinc/81/73/77/982817377.db2.gz VMNYXCXLECTDSL-UHFFFAOYSA-N 1 0 239.322 2.161 20 30 BEEDRO C[N@@H+]1CCC=C(c2cc(C#N)cc(C#N)c2)C1 ZINC001241570134 982819146 /nfs/dbraw/zinc/81/91/46/982819146.db2.gz GDATWCCINDRGEE-UHFFFAOYSA-N 1 0 223.279 2.149 20 30 BEEDRO N#CCCCC[N@@H+]1CCCC[C@]12CCOC2 ZINC001198761984 982833243 /nfs/dbraw/zinc/83/32/43/982833243.db2.gz UYEVZINOWGCIGT-CYBMUJFWSA-N 1 0 222.332 2.325 20 30 BEEDRO C=C(C)c1cncc(-c2cnn(C3C[NH2+]C3)c2)c1 ZINC001241602535 982842177 /nfs/dbraw/zinc/84/21/77/982842177.db2.gz GRSGYYPOTGTFFQ-UHFFFAOYSA-N 1 0 240.310 2.123 20 30 BEEDRO SCc1ccccc1-c1cnn(C2C[NH2+]C2)c1 ZINC001241615698 982852861 /nfs/dbraw/zinc/85/28/61/982852861.db2.gz VUAXYDAHNTUACJ-UHFFFAOYSA-N 1 0 245.351 2.124 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1[C@@H](C)CC[C@@H]1C ZINC001353419231 982856705 /nfs/dbraw/zinc/85/67/05/982856705.db2.gz IUQMRRZADUOJBB-SRVKXCTJSA-N 1 0 224.348 2.069 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)C(C)(C)C(=C)C ZINC001480516406 982885376 /nfs/dbraw/zinc/88/53/76/982885376.db2.gz QZMWCWSUIRMUHX-LBPRGKRZSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC001353605682 982921065 /nfs/dbraw/zinc/92/10/65/982921065.db2.gz MFZYOAYJBGVWBW-BFHYXJOUSA-N 1 0 225.376 2.421 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[NH2+]CC(C)C ZINC001480533534 982956883 /nfs/dbraw/zinc/95/68/83/982956883.db2.gz WDCTVLWVWACZFU-GXTWGEPZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC001353882671 983045322 /nfs/dbraw/zinc/04/53/22/983045322.db2.gz MFKIEBXXTBOCRQ-AAEUAGOBSA-N 1 0 238.375 2.222 20 30 BEEDRO Cc1ccc(C#N)nc1-c1ccc(C[NH3+])cc1 ZINC001241912135 983127544 /nfs/dbraw/zinc/12/75/44/983127544.db2.gz IGKJZEDXAOKVQC-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO Cc1ccc(-c2ccc(C[NH3+])cc2)c(C#N)n1 ZINC001241912811 983128398 /nfs/dbraw/zinc/12/83/98/983128398.db2.gz DSVHVROUUAZZOD-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO COc1cc(C#N)cnc1-c1ccc(C[NH3+])cc1 ZINC001241912098 983128807 /nfs/dbraw/zinc/12/88/07/983128807.db2.gz WZJPSIOYZUQZNF-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C#Cc1cccc(-c2cccc(C[NH3+])n2)c1 ZINC001241916168 983134418 /nfs/dbraw/zinc/13/44/18/983134418.db2.gz KFPPHMSUMSUTMY-UHFFFAOYSA-N 1 0 208.264 2.189 20 30 BEEDRO C#Cc1cccc(-c2cc(C[NH3+])ccn2)c1 ZINC001241918078 983137295 /nfs/dbraw/zinc/13/72/95/983137295.db2.gz RWZKQIZUFUZSAO-UHFFFAOYSA-N 1 0 208.264 2.189 20 30 BEEDRO N#CCc1cnc(F)c(-c2ccc(C[NH3+])cc2)c1 ZINC001241918383 983140232 /nfs/dbraw/zinc/14/02/32/983140232.db2.gz SOPMAECYRDYEPM-UHFFFAOYSA-N 1 0 241.269 2.412 20 30 BEEDRO C#Cc1ccc(NCC[NH+]2CCC(C)CC2)nc1 ZINC001354079457 983142817 /nfs/dbraw/zinc/14/28/17/983142817.db2.gz LROPIZGODRKGEZ-UHFFFAOYSA-N 1 0 243.354 2.207 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1c(Cl)ncn1CC ZINC001201407724 983206258 /nfs/dbraw/zinc/20/62/58/983206258.db2.gz OJLDWPDTBWOYSZ-QMMMGPOBSA-N 1 0 213.712 2.221 20 30 BEEDRO Cc1cnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c(/C=N/O)c1 ZINC001242019964 983225441 /nfs/dbraw/zinc/22/54/41/983225441.db2.gz FCGLVSVMLAQBIA-BDZKYUHVSA-N 1 0 243.310 2.106 20 30 BEEDRO N#Cc1ccnc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)c1F ZINC001242020619 983228741 /nfs/dbraw/zinc/22/87/41/983228741.db2.gz RUXNUHBSXDZGIP-MNOVXSKESA-N 1 0 229.258 2.000 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccccc1CF ZINC001354459984 983307789 /nfs/dbraw/zinc/30/77/89/983307789.db2.gz LBEPVFZRQZGYLZ-UHFFFAOYSA-N 1 0 235.302 2.238 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCOCCOCC ZINC001354722517 983351404 /nfs/dbraw/zinc/35/14/04/983351404.db2.gz HXXILEYXYGJPRQ-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)CCCCC[NH3+] ZINC001355863799 983542091 /nfs/dbraw/zinc/54/20/91/983542091.db2.gz NVKPVKZJWNIGEZ-ZDUSSCGKSA-N 1 0 238.375 2.463 20 30 BEEDRO N#Cc1ncccc1-c1cccc(C[NH3+])c1F ZINC001242312004 983542808 /nfs/dbraw/zinc/54/28/08/983542808.db2.gz NGFZAOIXLPBNTI-UHFFFAOYSA-N 1 0 227.242 2.218 20 30 BEEDRO N#Cc1ncccc1-c1cccn2c[nH+]cc12 ZINC001242312209 983543423 /nfs/dbraw/zinc/54/34/23/983543423.db2.gz XNAGDJYOCBTKEY-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CCN1CC[C@]2(CCC[N@H+]2[C@H](C)CC)C1=O ZINC001273926094 983556237 /nfs/dbraw/zinc/55/62/37/983556237.db2.gz VXTRKRDTMHOGRM-TZMCWYRMSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CSCCC ZINC001356043496 983558682 /nfs/dbraw/zinc/55/86/82/983558682.db2.gz AGGKEJSEVRUZIP-UTUOFQBUSA-N 1 0 229.389 2.451 20 30 BEEDRO O=C1C=C2C[N@@H+](CC3CCCC3)CCC2S1 ZINC001202139016 983572097 /nfs/dbraw/zinc/57/20/97/983572097.db2.gz LLDFESKJWHZPGG-GFCCVEGCSA-N 1 0 237.368 2.451 20 30 BEEDRO CC(C)C(C)(C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC001357125486 983665036 /nfs/dbraw/zinc/66/50/36/983665036.db2.gz GGELTQUPJHASGM-GFCCVEGCSA-N 1 0 238.375 2.313 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001357241494 983676998 /nfs/dbraw/zinc/67/69/98/983676998.db2.gz IUSNJVJKGXXJAR-FRRDWIJNSA-N 1 0 236.359 2.065 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](O)CCCC)cc1 ZINC001252110903 983688090 /nfs/dbraw/zinc/68/80/90/983688090.db2.gz PQXOAZLWQHGPKF-OAHLLOKOSA-N 1 0 231.339 2.309 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)/C=C(/C)CC)C1 ZINC001488826096 983696382 /nfs/dbraw/zinc/69/63/82/983696382.db2.gz GEPQDAKVLFREJN-OONSSYORSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C/C=C(/C)C=C)C1 ZINC001490445485 983722129 /nfs/dbraw/zinc/72/21/29/983722129.db2.gz AQVIGRQCWBMCMH-MQJVFOOVSA-N 1 0 248.370 2.275 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)/C=C(\C)C2CC2)C1 ZINC001490523992 983730848 /nfs/dbraw/zinc/73/08/48/983730848.db2.gz AIFQXKCHESJTSY-BCNIOPEESA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)/C=C(/C)C2CC2)C1 ZINC001490523994 983732711 /nfs/dbraw/zinc/73/27/11/983732711.db2.gz AIFQXKCHESJTSY-UNJUUPHPSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C/C=C(\C)C=C)C1 ZINC001490555203 983732842 /nfs/dbraw/zinc/73/28/42/983732842.db2.gz CYGQAYSOKKETPX-GUNGLEHYSA-N 1 0 248.370 2.275 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)C=C(C)C)C1CC1 ZINC001490631267 983736215 /nfs/dbraw/zinc/73/62/15/983736215.db2.gz FOIMOXLOBAUEAO-ZDUSSCGKSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@H](CNC(=O)C(C)(C)C)C1CC1 ZINC001490733353 983738688 /nfs/dbraw/zinc/73/86/88/983738688.db2.gz XGEWCENGMBQZKJ-GFCCVEGCSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCC[N@@H+](CCCCCF)CCOC ZINC000852749457 983758531 /nfs/dbraw/zinc/75/85/31/983758531.db2.gz YYGZOAZDOKGIPV-UHFFFAOYSA-N 1 0 215.312 2.098 20 30 BEEDRO C=C[C@@](C)(O)CNc1cc(C)[nH+]c2ccccc12 ZINC001252539820 983804174 /nfs/dbraw/zinc/80/41/74/983804174.db2.gz YHPUXCADLIZQTF-OAHLLOKOSA-N 1 0 242.322 2.314 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(C)cc1C ZINC001252572718 983827972 /nfs/dbraw/zinc/82/79/72/983827972.db2.gz TXCLYSCIQBUERY-OAHLLOKOSA-N 1 0 233.355 2.373 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](CC)c1ncccc1C ZINC001252573538 983829435 /nfs/dbraw/zinc/82/94/35/983829435.db2.gz FVNRMMMWXAONJE-TZMCWYRMSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc2ccncc21 ZINC001252577669 983832431 /nfs/dbraw/zinc/83/24/31/983832431.db2.gz MDIVXXJBPDXTOZ-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCCC1CCCC1 ZINC001252577128 983832651 /nfs/dbraw/zinc/83/26/51/983832651.db2.gz VAIZAEAVCIXDDB-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccs1 ZINC001252587024 983837814 /nfs/dbraw/zinc/83/78/14/983837814.db2.gz OJKHMPYKRVVHCD-JTQLQIEISA-N 1 0 211.330 2.165 20 30 BEEDRO C=CCC[C@H](O)CNc1c[nH+]c2cccc(C)n12 ZINC001252592000 983841354 /nfs/dbraw/zinc/84/13/54/983841354.db2.gz IPIYAVCWFYRREX-LBPRGKRZSA-N 1 0 245.326 2.382 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1Cc2ccc(OC)cc2C1 ZINC001252600048 983843339 /nfs/dbraw/zinc/84/33/39/983843339.db2.gz VGRSENFBUAVGBI-CQSZACIVSA-N 1 0 247.338 2.338 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C[C@H](C)c1ccc(O)cc1 ZINC001252618290 983853764 /nfs/dbraw/zinc/85/37/64/983853764.db2.gz QWFCAIZPFYKIRV-SWLSCSKDSA-N 1 0 249.354 2.412 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CC12CCCC2 ZINC001252620270 983854780 /nfs/dbraw/zinc/85/47/80/983854780.db2.gz SQFJXLSWNAPPFI-NWDGAFQWSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CC12CCCC2 ZINC001252620272 983855319 /nfs/dbraw/zinc/85/53/19/983855319.db2.gz SQFJXLSWNAPPFI-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC001358354391 983856054 /nfs/dbraw/zinc/85/60/54/983856054.db2.gz QPXKHWBTRAPVGE-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(CC)C[N@@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC001473544584 983888162 /nfs/dbraw/zinc/88/81/62/983888162.db2.gz DTMQAIZZJMPVOH-NWDGAFQWSA-N 1 0 209.333 2.309 20 30 BEEDRO Cc1ccc(-c2cc(C[NH3+])ccn2)c(C#N)c1 ZINC001242589096 983903533 /nfs/dbraw/zinc/90/35/33/983903533.db2.gz JNTWSRJMCHCUPH-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C[NH2+]Cc1cc(-c2ccc(C)cc2C#N)ncn1 ZINC001242591264 983908152 /nfs/dbraw/zinc/90/81/52/983908152.db2.gz KEWTZXPSAFCJNZ-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CCC)C1=O ZINC001560201030 983936339 /nfs/dbraw/zinc/93/63/39/983936339.db2.gz CUESUKXGZTUWEG-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000877608407 983956923 /nfs/dbraw/zinc/95/69/23/983956923.db2.gz USHZYSCHHDICGA-STQMWFEESA-N 1 0 209.333 2.337 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)/C=C(\C)C1CC1 ZINC001480752376 984005614 /nfs/dbraw/zinc/00/56/14/984005614.db2.gz RKHMKEVLWYTUHC-IIANPFDCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CCNC(=O)C1CCC1 ZINC001480744703 984005736 /nfs/dbraw/zinc/00/57/36/984005736.db2.gz QHZPUDNAWQGNHC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)CC ZINC001569105351 984018541 /nfs/dbraw/zinc/01/85/41/984018541.db2.gz ORFWGXCWTFMESO-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO CC(C)[C@]1(CO)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339203936 984022927 /nfs/dbraw/zinc/02/29/27/984022927.db2.gz NEFBRYQEDLMWFF-MELADBBJSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCCC[NH2+]C1(CC)CCN(C(C)=O)CC1 ZINC001570250140 984023758 /nfs/dbraw/zinc/02/37/58/984023758.db2.gz VSGYKZYHASUJJY-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#Cc1cc(F)cnc1-c1ccc2c(c1)C[NH2+]C2 ZINC001242671701 984038996 /nfs/dbraw/zinc/03/89/96/984038996.db2.gz LHTPBRSEKVQSBJ-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO N#Cc1cnc(-c2ccc3c(c2)C[NH2+]C3)c(F)c1 ZINC001242674560 984041519 /nfs/dbraw/zinc/04/15/19/984041519.db2.gz WFIZBWRQIGWQOR-UHFFFAOYSA-N 1 0 239.253 2.363 20 30 BEEDRO N#CCc1cc(-c2ccc3c(c2)C[NH2+]C3)ccn1 ZINC001242676694 984045184 /nfs/dbraw/zinc/04/51/84/984045184.db2.gz QUTMDEFNRVRUQC-UHFFFAOYSA-N 1 0 235.290 2.418 20 30 BEEDRO C[C@H]([NH3+])c1ccc(C2=CC(=O)C[C@@H](C)C2)cn1 ZINC001242742607 984093846 /nfs/dbraw/zinc/09/38/46/984093846.db2.gz AQKZFUNPNBSGEQ-UWVGGRQHSA-N 1 0 230.311 2.484 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC001574849806 984115779 /nfs/dbraw/zinc/11/57/79/984115779.db2.gz REGYYIFAPZLBBU-OLZOCXBDSA-N 1 0 238.375 2.367 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2c(C)onc2CC)C1 ZINC000886360454 984187100 /nfs/dbraw/zinc/18/71/00/984187100.db2.gz WMLCJCZULUAJDJ-LBPRGKRZSA-N 1 0 232.327 2.391 20 30 BEEDRO C=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2C1CCCC1 ZINC001274022725 984238769 /nfs/dbraw/zinc/23/87/69/984238769.db2.gz MCQKSGOCCGSTNL-ZIAGYGMSSA-N 1 0 248.370 2.180 20 30 BEEDRO N#Cc1cnc2cc(C3=CC[NH2+]CC3)ccc2c1 ZINC001240469607 984303791 /nfs/dbraw/zinc/30/37/91/984303791.db2.gz FREVVRQHYCMNHL-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691403842 984318539 /nfs/dbraw/zinc/31/85/39/984318539.db2.gz OZTNNPGUQVGARR-WXHSDQCUSA-N 1 0 236.359 2.472 20 30 BEEDRO C=C(C)C[NH2+]C1(C)CCN(C(=O)C(C)C)CC1 ZINC001274316556 984330482 /nfs/dbraw/zinc/33/04/82/984330482.db2.gz XTHZUUGKYUJWJX-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cc(C#N)ccn2)c1 ZINC001242993711 984355585 /nfs/dbraw/zinc/35/55/85/984355585.db2.gz GUSKQDBVKZMCDJ-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cncc(F)c2C#N)c1 ZINC001242995630 984358060 /nfs/dbraw/zinc/35/80/60/984358060.db2.gz GMEQWYAUXSKORI-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncc(F)cc2C#N)c1 ZINC001242995337 984359793 /nfs/dbraw/zinc/35/97/93/984359793.db2.gz MDSOVVZUGFKXHB-UHFFFAOYSA-N 1 0 241.269 2.479 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccnc(C#N)c2)c1 ZINC001242996813 984362160 /nfs/dbraw/zinc/36/21/60/984362160.db2.gz QGCHWANVVOXZKP-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C[NH2+]Cc1cccc(-c2cc(C#N)nc(C)n2)c1 ZINC001242997158 984362325 /nfs/dbraw/zinc/36/23/25/984362325.db2.gz WXMIAYAYMQTKCA-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001299353651 984364115 /nfs/dbraw/zinc/36/41/15/984364115.db2.gz LHUMFCHEHOEWLZ-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C(CC)CC ZINC001274686977 984365419 /nfs/dbraw/zinc/36/54/19/984365419.db2.gz VVOVWZDCCGWTEI-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@]1(C)C=CCC1 ZINC001274763336 984376477 /nfs/dbraw/zinc/37/64/77/984376477.db2.gz LZEAVHJSPPOHKR-GXTWGEPZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CCC(F)F ZINC001274849496 984389357 /nfs/dbraw/zinc/38/93/57/984389357.db2.gz OHBQSFHMAAOOSX-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCC ZINC001275081596 984473615 /nfs/dbraw/zinc/47/36/15/984473615.db2.gz WRCNCAFWCCIMJW-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC ZINC001275081595 984475140 /nfs/dbraw/zinc/47/51/40/984475140.db2.gz WRCNCAFWCCIMJW-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)CCC=C ZINC001275365032 984545111 /nfs/dbraw/zinc/54/51/11/984545111.db2.gz HVXRUMAFDNRUNF-VXGBXAGGSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C=C(CC)CC ZINC001275385334 984550218 /nfs/dbraw/zinc/55/02/18/984550218.db2.gz IFXYNPLSISKTAR-NWDGAFQWSA-N 1 0 238.375 2.402 20 30 BEEDRO C[Si](C)(C)C#Cc1ccc(C2=CC[NH2+]C2)nc1 ZINC001243107292 984550768 /nfs/dbraw/zinc/55/07/68/984550768.db2.gz BNUMTODFKBROAW-UHFFFAOYSA-N 1 0 242.398 2.297 20 30 BEEDRO C=CCCCCCN(C)C(=O)C(=C)C[NH+](C)C ZINC001444421883 984554288 /nfs/dbraw/zinc/55/42/88/984554288.db2.gz GRDGZPPHTISSPH-UHFFFAOYSA-N 1 0 238.375 2.309 20 30 BEEDRO N#Cc1ccc(C2=CC[NH2+]C2)c2cc[nH]c21 ZINC001243110356 984568479 /nfs/dbraw/zinc/56/84/79/984568479.db2.gz FRSCHHDSPJQRDA-UHFFFAOYSA-N 1 0 209.252 2.026 20 30 BEEDRO N#Cc1nc2c(cccc2C2=CC[NH2+]C2)s1 ZINC001243112307 984581783 /nfs/dbraw/zinc/58/17/83/984581783.db2.gz WQZWBLFYWLCKBW-UHFFFAOYSA-N 1 0 227.292 2.155 20 30 BEEDRO C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCCCC ZINC001275504471 984585159 /nfs/dbraw/zinc/58/51/59/984585159.db2.gz BDZYBVHEQDOHMF-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)/C=C/C(C)(C)C ZINC001275519687 984596220 /nfs/dbraw/zinc/59/62/20/984596220.db2.gz BHROPOQRIIHBFQ-IDVQTMNDSA-N 1 0 238.375 2.211 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)CC ZINC001275772483 984645426 /nfs/dbraw/zinc/64/54/26/984645426.db2.gz GMVLSJBZSSUMJO-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC[NH2+]CCCN(C)C(=O)C=C(C)C ZINC001275854565 984701497 /nfs/dbraw/zinc/70/14/97/984701497.db2.gz WMBXENCTVYQVID-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C#CCCCN1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001275975741 984757664 /nfs/dbraw/zinc/75/76/64/984757664.db2.gz MYGYJIOQTMFUJJ-UHFFFAOYSA-N 1 0 246.398 2.350 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)CCC ZINC001448884483 984823010 /nfs/dbraw/zinc/82/30/10/984823010.db2.gz RYDOICWAHYEENY-ZDUSSCGKSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCC[NH2+]CC1(NC(C)=O)CCCCC1 ZINC001276176761 984824619 /nfs/dbraw/zinc/82/46/19/984824619.db2.gz WHCXFWGUKPCBDM-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)CNC(=O)C/C=C(/C)C=C ZINC001495724058 984839276 /nfs/dbraw/zinc/83/92/76/984839276.db2.gz WIPKNIINTVVKCC-FFXRNRBCSA-N 1 0 236.359 2.037 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256800862 984840553 /nfs/dbraw/zinc/84/05/53/984840553.db2.gz RSPZQKPFVMTLRI-RRFJBIMHSA-N 1 0 247.338 2.043 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC001256800871 984840707 /nfs/dbraw/zinc/84/07/07/984840707.db2.gz RSPZQKPFVMTLRI-SOUVJXGZSA-N 1 0 247.338 2.043 20 30 BEEDRO COC[C@H]1CC[N@@H+](C2CCC(C#N)CC2)C1 ZINC001256963829 984844453 /nfs/dbraw/zinc/84/44/53/984844453.db2.gz MZAKYGFQHLJPMX-CPCZMJQVSA-N 1 0 222.332 2.037 20 30 BEEDRO CC1(C)C[N@@H+](C2CCC(C#N)CC2)CCO1 ZINC001256965350 984848302 /nfs/dbraw/zinc/84/83/02/984848302.db2.gz RWNAWQSJOFBUNZ-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC001257079443 984849917 /nfs/dbraw/zinc/84/99/17/984849917.db2.gz CMDPIGHOGOYHCR-GMXVVIOVSA-N 1 0 209.333 2.334 20 30 BEEDRO CC[C@@H](C)[NH2+]CCOc1ccccc1C#N ZINC001257432559 985004876 /nfs/dbraw/zinc/00/48/76/985004876.db2.gz DBUWHYLWTDXDBL-LLVKDONJSA-N 1 0 218.300 2.325 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000932156693 985013884 /nfs/dbraw/zinc/01/38/84/985013884.db2.gz NBKLVANODZTMBY-AWEZNQCLSA-N 1 0 246.358 2.289 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C1CC1)C1CCCC1 ZINC000685989363 985025079 /nfs/dbraw/zinc/02/50/79/985025079.db2.gz DZTAKRBSBMLSHJ-LLVKDONJSA-N 1 0 222.332 2.322 20 30 BEEDRO CC[N@H+](CCO[C@H](C)C#N)Cc1ccoc1 ZINC000685989315 985027723 /nfs/dbraw/zinc/02/77/23/985027723.db2.gz GJVFYGMTSILLLQ-LLVKDONJSA-N 1 0 222.288 2.030 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H](CC[NH+](C)C)C1 ZINC001455639080 985084221 /nfs/dbraw/zinc/08/42/21/985084221.db2.gz IUCACXHQSUDYNN-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO CN(Cc1cc(C#N)cs1)CC1(C[NH3+])CCC1 ZINC001578486182 985117704 /nfs/dbraw/zinc/11/77/04/985117704.db2.gz REHMAEFQVQLCNX-UHFFFAOYSA-N 1 0 249.383 2.181 20 30 BEEDRO C#CCCCCC[N@@H+](C)CC1=CCCOC1 ZINC000686674014 985196410 /nfs/dbraw/zinc/19/64/10/985196410.db2.gz SUNLOGXBNBTPEB-UHFFFAOYSA-N 1 0 221.344 2.459 20 30 BEEDRO C#CCCCCC[N@H+]1CCOCC1(C)C ZINC000686678775 985200299 /nfs/dbraw/zinc/20/02/99/985200299.db2.gz RRJFIGMFDVHCAS-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO COc1ccc(-c2cc(C[NH3+])ccn2)c(C#N)c1 ZINC001243727710 985244094 /nfs/dbraw/zinc/24/40/94/985244094.db2.gz ZRNQKIQHAIVCNE-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO CN(CCC[NH+](C)C)c1cc(F)ccc1C#N ZINC001458287932 985289399 /nfs/dbraw/zinc/28/93/99/985289399.db2.gz WRXBGLGECHQRAT-UHFFFAOYSA-N 1 0 235.306 2.085 20 30 BEEDRO CCCCCCC[C@H](C)[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC001258044342 985343854 /nfs/dbraw/zinc/34/38/54/985343854.db2.gz LZHIWCWOBCALBX-IHRRRGAJSA-N 1 0 243.391 2.020 20 30 BEEDRO C=C(C[NH2+]C1CCN(OC)CC1)c1ccccc1 ZINC000692105776 985413659 /nfs/dbraw/zinc/41/36/59/985413659.db2.gz AYOXPMQIXIEODJ-UHFFFAOYSA-N 1 0 246.354 2.315 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC(OCCOCC)CC1 ZINC001459310393 985449592 /nfs/dbraw/zinc/44/95/92/985449592.db2.gz NYWDGHJDSLJXKP-CYBMUJFWSA-N 1 0 241.375 2.469 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(C#N)cc1 ZINC000688045905 985526017 /nfs/dbraw/zinc/52/60/17/985526017.db2.gz SMJIGSVSFYRLEE-COPLHBTASA-N 1 0 230.311 2.244 20 30 BEEDRO N#CCc1cncc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243895954 985579452 /nfs/dbraw/zinc/57/94/52/985579452.db2.gz JSYZZPJFAQKWNU-OWOJBTEDSA-N 1 0 227.311 2.160 20 30 BEEDRO N#CCc1cc(/C=C/C2CC[NH2+]CC2)ccn1 ZINC001243896124 985580593 /nfs/dbraw/zinc/58/05/93/985580593.db2.gz FAHKNTHSNFLSNJ-OWOJBTEDSA-N 1 0 227.311 2.160 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001459801535 985626245 /nfs/dbraw/zinc/62/62/45/985626245.db2.gz XBDIIFVSUAWNMP-SFYZADRCSA-N 1 0 207.651 2.326 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000688500484 985658087 /nfs/dbraw/zinc/65/80/87/985658087.db2.gz LFDDTLGNEOSJHJ-IUCAKERBSA-N 1 0 234.137 2.052 20 30 BEEDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CO1 ZINC000688524168 985664653 /nfs/dbraw/zinc/66/46/53/985664653.db2.gz ORHMQNDTGONSFL-KBPBESRZSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000691855463 985701706 /nfs/dbraw/zinc/70/17/06/985701706.db2.gz OKTSESLWFFYFTN-UHFFFAOYSA-N 1 0 247.338 2.304 20 30 BEEDRO C=C/C(=[NH+]\COC)c1ccc2c(c1)NCC2 ZINC001244015993 985749289 /nfs/dbraw/zinc/74/92/89/985749289.db2.gz AVQLXIVIWVFTHC-NTCAYCPXSA-N 1 0 216.284 2.234 20 30 BEEDRO CN(C)c1cc[nH+]c(-c2ccc(N)c(C#N)c2)c1 ZINC001244112662 985821617 /nfs/dbraw/zinc/82/16/17/985821617.db2.gz LLGRTBYLUUKSAD-UHFFFAOYSA-N 1 0 238.294 2.268 20 30 BEEDRO N#Cc1cc(-c2[nH+]ccc3c2CCN3)ccc1N ZINC001244112530 985822235 /nfs/dbraw/zinc/82/22/35/985822235.db2.gz JKQCVUSGLNHXIM-UHFFFAOYSA-N 1 0 236.278 2.170 20 30 BEEDRO N#Cc1cc(-c2cccc3c[nH+]cn32)ccc1N ZINC001244115001 985827298 /nfs/dbraw/zinc/82/72/98/985827298.db2.gz KCNBAPXGALDXGY-UHFFFAOYSA-N 1 0 234.262 2.455 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)CCC(=O)OC)c1 ZINC001258354362 985832482 /nfs/dbraw/zinc/83/24/82/985832482.db2.gz YRHXXFJQJPIOGB-LBPRGKRZSA-N 1 0 245.322 2.099 20 30 BEEDRO N#Cc1cccc([C@@H](O)C[NH+](C2CC2)C2CC2)c1 ZINC001460472533 985852595 /nfs/dbraw/zinc/85/25/95/985852595.db2.gz UYINLEUMOQWBAQ-HNNXBMFYSA-N 1 0 242.322 2.218 20 30 BEEDRO C#CC[N@H+](C[Si](C)(C)c1ccccc1)C(C)C ZINC001460813697 985901476 /nfs/dbraw/zinc/90/14/76/985901476.db2.gz GBWATLHNIZJGTC-UHFFFAOYSA-N 1 0 245.442 2.485 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001460855897 985912492 /nfs/dbraw/zinc/91/24/92/985912492.db2.gz HOZAYLYQHLAVRJ-STQMWFEESA-N 1 0 229.327 2.068 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](c2ncccn2)C1 ZINC001460859403 985913507 /nfs/dbraw/zinc/91/35/07/985913507.db2.gz PDHKRJGOFKBBGG-LBPRGKRZSA-N 1 0 244.342 2.206 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](c2cnccn2)C1 ZINC001460855936 985913796 /nfs/dbraw/zinc/91/37/96/985913796.db2.gz HRGAAABIZSFADT-NWDGAFQWSA-N 1 0 217.316 2.231 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001258725875 986062276 /nfs/dbraw/zinc/06/22/76/986062276.db2.gz NZJOWWJMVKXKMB-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C(C)C)C1 ZINC001276342851 986040071 /nfs/dbraw/zinc/04/00/71/986040071.db2.gz SCVVNYQEBJPVBH-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc(C#N)nc1 ZINC001258724176 986058325 /nfs/dbraw/zinc/05/83/25/986058325.db2.gz PHUGBXBEHPDMRR-LLVKDONJSA-N 1 0 215.300 2.398 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1C[C@H](CO)CC[C@H]1C ZINC001258725878 986061609 /nfs/dbraw/zinc/06/16/09/986061609.db2.gz NZJOWWJMVKXKMB-YNEHKIRRSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001258724853 986061660 /nfs/dbraw/zinc/06/16/60/986061660.db2.gz FJQLDMMRUKFLHH-FRRDWIJNSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[C@H](C)[N@H+](C)Cc1ncccn1 ZINC001258724724 986065720 /nfs/dbraw/zinc/06/57/20/986065720.db2.gz DEDSHORGMXXCPU-NSHDSACASA-N 1 0 205.305 2.263 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)nc(C)c1 ZINC001461517038 986073714 /nfs/dbraw/zinc/07/37/14/986073714.db2.gz RVAFXKRMAOHYRY-KGLIPLIRSA-N 1 0 232.327 2.132 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC2=CCCOC2)CC1 ZINC001461541568 986075468 /nfs/dbraw/zinc/07/54/68/986075468.db2.gz UGAVZVUREZMMPZ-UHFFFAOYSA-N 1 0 234.343 2.395 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cnsc1 ZINC001461566519 986085412 /nfs/dbraw/zinc/08/54/12/986085412.db2.gz IFWLMSWEHNRWEI-UHFFFAOYSA-N 1 0 209.318 2.173 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2ccc(CO)o2)c1 ZINC001461577859 986086467 /nfs/dbraw/zinc/08/64/67/986086467.db2.gz DYWDMGCCQGSNMW-UHFFFAOYSA-N 1 0 241.290 2.043 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CCCC2(CCCC2)C1 ZINC001253571718 986091110 /nfs/dbraw/zinc/09/11/10/986091110.db2.gz JANVZAVAZIVNCA-GFCCVEGCSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@@H](O)C[N@H+](C)CCc1ccccc1Cl ZINC001253579054 986132010 /nfs/dbraw/zinc/13/20/10/986132010.db2.gz MGCXSNIQCAEWAK-GFCCVEGCSA-N 1 0 239.746 2.361 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1ccc(Cl)cc1 ZINC001253578955 986134719 /nfs/dbraw/zinc/13/47/19/986134719.db2.gz KMSDQFFCJIAWFB-LBPRGKRZSA-N 1 0 225.719 2.319 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC2(CC[C@H](F)C2)CC1 ZINC001253581620 986142861 /nfs/dbraw/zinc/14/28/61/986142861.db2.gz DEDRVHWWUOIEFY-NWDGAFQWSA-N 1 0 227.323 2.138 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001253586489 986163695 /nfs/dbraw/zinc/16/36/95/986163695.db2.gz NQDJKGVPCPGLQF-JHJVBQTASA-N 1 0 209.333 2.045 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccc(OC)c1 ZINC001253584942 986166218 /nfs/dbraw/zinc/16/62/18/986166218.db2.gz SVKRCKCCYVUAQM-UKRRQHHQSA-N 1 0 247.338 2.379 20 30 BEEDRO Cc1ccccc1C[NH2+]CC1(C#N)CCOCC1 ZINC001461812183 986174350 /nfs/dbraw/zinc/17/43/50/986174350.db2.gz KQMVIXLDYFVTRB-UHFFFAOYSA-N 1 0 244.338 2.405 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)[C@@H]1CCc2ccccc21 ZINC001253587762 986179506 /nfs/dbraw/zinc/17/95/06/986179506.db2.gz FWZHVXGPILNKOX-TZMCWYRMSA-N 1 0 217.312 2.153 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)[C@H]1CCc2ccccc21 ZINC001253587758 986181091 /nfs/dbraw/zinc/18/10/91/986181091.db2.gz FWZHVXGPILNKOX-JSGCOSHPSA-N 1 0 217.312 2.153 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCc1ccc(Cl)cc1 ZINC001253598060 986219495 /nfs/dbraw/zinc/21/94/95/986219495.db2.gz MZZPRRHDUYJECA-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(Cl)c1F ZINC001253597721 986220882 /nfs/dbraw/zinc/22/08/82/986220882.db2.gz INBLYECIUHHOHH-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO CC(C)N(CCC#N)Cc1ccc2nonc2c1 ZINC001461895434 986222016 /nfs/dbraw/zinc/22/20/16/986222016.db2.gz LKSKYJNIEPMZHI-UHFFFAOYSA-N 1 0 244.298 2.347 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc2[nH]c(C)c(C)c2c1 ZINC001253598035 986222388 /nfs/dbraw/zinc/22/23/88/986222388.db2.gz MLLQZCJNBQNTTL-ZDUSSCGKSA-N 1 0 244.338 2.421 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1ccccc1Cl ZINC001253598247 986229480 /nfs/dbraw/zinc/22/94/80/986229480.db2.gz QTSQVTQLGHKQKI-LLVKDONJSA-N 1 0 225.719 2.019 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC001253603557 986256660 /nfs/dbraw/zinc/25/66/60/986256660.db2.gz YCYYLQJOGQIZIX-XJFOESAGSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC001253603556 986259031 /nfs/dbraw/zinc/25/90/31/986259031.db2.gz YCYYLQJOGQIZIX-XDQVBPFNSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c(OC)c1 ZINC001253605294 986264793 /nfs/dbraw/zinc/26/47/93/986264793.db2.gz QRXCZEDIZICWCC-GXSJLCMTSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cc(C)ccc1Cl ZINC001253608618 986273936 /nfs/dbraw/zinc/27/39/36/986273936.db2.gz MSPNJTDMGKUWHN-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](CCC)c1ccncc1 ZINC001253609329 986275317 /nfs/dbraw/zinc/27/53/17/986275317.db2.gz QXUAUEHNOAAIRP-STQMWFEESA-N 1 0 220.316 2.059 20 30 BEEDRO C=C/C(=[NH+]\COC)c1cc(C)cc(C)c1N ZINC001244597406 986275588 /nfs/dbraw/zinc/27/55/88/986275588.db2.gz UTUYYCLWIKKJPW-NTCAYCPXSA-N 1 0 218.300 2.465 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](CC(C)C)c1ccccn1 ZINC001253609692 986276403 /nfs/dbraw/zinc/27/64/03/986276403.db2.gz XRMQLLIUEGWEQK-OCCSQVGLSA-N 1 0 234.343 2.305 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc2ccc(C)nc21 ZINC001253612318 986287566 /nfs/dbraw/zinc/28/75/66/986287566.db2.gz YKUOKNNJPBPGMO-AWEZNQCLSA-N 1 0 242.322 2.180 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC001253611710 986287919 /nfs/dbraw/zinc/28/79/19/986287919.db2.gz SPFDOCMZVDNZJF-IUODEOHRSA-N 1 0 247.338 2.209 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@]1(C)CCCCO1)C(C)C ZINC001462211297 986313956 /nfs/dbraw/zinc/31/39/56/986313956.db2.gz ODBPGHMXBSRBPG-QWHCGFSZSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)cc(OC)cc1O)C(C)C ZINC001462210032 986314220 /nfs/dbraw/zinc/31/42/20/986314220.db2.gz JDTBBRIMPWTBJK-AWEZNQCLSA-N 1 0 247.338 2.457 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001462250945 986319225 /nfs/dbraw/zinc/31/92/25/986319225.db2.gz BDUZCTCXJJRPAE-YHQUGGNUSA-N 1 0 221.344 2.498 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@]2(C)CCCCO2)C1 ZINC001462390156 986371306 /nfs/dbraw/zinc/37/13/06/986371306.db2.gz YXUKBBDJNPQNEZ-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC001462464384 986396494 /nfs/dbraw/zinc/39/64/94/986396494.db2.gz CAKYFQZEIIUSFH-OAGGEKHMSA-N 1 0 243.350 2.081 20 30 BEEDRO C#C[C@H](CO)[NH2+][C@H](C)CCC1CCCCC1 ZINC001462468528 986400104 /nfs/dbraw/zinc/40/01/04/986400104.db2.gz PBUPDYCIUCDYSB-TZMCWYRMSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@@H](CO)[NH2+][C@@H](C)CCC1CCCCC1 ZINC001462468522 986400125 /nfs/dbraw/zinc/40/01/25/986400125.db2.gz PBUPDYCIUCDYSB-JSGCOSHPSA-N 1 0 223.360 2.319 20 30 BEEDRO N#Cc1cccc(NC[C@@H]([NH3+])CC(F)(F)F)c1 ZINC001580078200 986518484 /nfs/dbraw/zinc/51/84/84/986518484.db2.gz OKJBVPNUUSCYKM-VIFPVBQESA-N 1 0 243.232 2.250 20 30 BEEDRO C[N@@H+]1CCC[C@H](NC2(C#N)CCCCC2)CC1 ZINC001254502828 986644419 /nfs/dbraw/zinc/64/44/19/986644419.db2.gz HPBJURCHVNLMTI-ZDUSSCGKSA-N 1 0 235.375 2.287 20 30 BEEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)c1cnccn1 ZINC001254636378 986687683 /nfs/dbraw/zinc/68/76/83/986687683.db2.gz KEHUTAVEKAGHJP-RYUDHWBXSA-N 1 0 244.342 2.036 20 30 BEEDRO N#C[C@@H]1CC[C@H](N(C(N)=[NH2+])c2ccccc2F)C1 ZINC001254640106 986692757 /nfs/dbraw/zinc/69/27/57/986692757.db2.gz ZQVYNWXPADRGKS-ZJUUUORDSA-N 1 0 246.289 2.218 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H](CO)C2CCCCC2)C1 ZINC001254644696 986697541 /nfs/dbraw/zinc/69/75/41/986697541.db2.gz VCWFPPFYOQOIFA-IACUBPJLSA-N 1 0 236.359 2.209 20 30 BEEDRO CC1(C)C[N@H+]([C@@H]2CC[C@@H](C#N)C2)[C@@](C)(CO)C1 ZINC001254659817 986701663 /nfs/dbraw/zinc/70/16/63/986701663.db2.gz CYDKXBDZVAPYBZ-YRGRVCCFSA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC3(C[C@H]3CCO)CC2)C1 ZINC001254659468 986703195 /nfs/dbraw/zinc/70/31/95/986703195.db2.gz AHYLGMZFVAMLBN-MGPQQGTHSA-N 1 0 248.370 2.163 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccno1 ZINC001254653913 986703420 /nfs/dbraw/zinc/70/34/20/986703420.db2.gz QEXVPRBTPKYOHK-IVZWLZJFSA-N 1 0 205.261 2.017 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccn3n2)C1 ZINC001254655657 986708609 /nfs/dbraw/zinc/70/86/09/986708609.db2.gz FGSFZKQPSUITCB-NWDGAFQWSA-N 1 0 240.310 2.116 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC3(CCCO3)CC2)C1 ZINC001254669602 986718948 /nfs/dbraw/zinc/71/89/48/986718948.db2.gz TZDUKASHCKELBI-STQMWFEESA-N 1 0 234.343 2.324 20 30 BEEDRO CC(C)[C@@H]1COCC[N@@H+]1[C@H]1CC[C@@H](C#N)C1 ZINC001254668585 986719868 /nfs/dbraw/zinc/71/98/68/986719868.db2.gz GWPZZNYMIPTYAA-AGIUHOORSA-N 1 0 222.332 2.035 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001254673836 986724729 /nfs/dbraw/zinc/72/47/29/986724729.db2.gz PYJOISNLBUJHBD-DGCLKSJQSA-N 1 0 227.311 2.132 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@@H+]2CCc3cccnc3C2)C1 ZINC001254673835 986726213 /nfs/dbraw/zinc/72/62/13/986726213.db2.gz PYJOISNLBUJHBD-AAEUAGOBSA-N 1 0 227.311 2.132 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H]1CC[C@H](OC)CC1 ZINC001255154451 986824632 /nfs/dbraw/zinc/82/46/32/986824632.db2.gz HQBSNKGTRLGNRN-SRVKXCTJSA-N 1 0 210.321 2.226 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001255154647 986826573 /nfs/dbraw/zinc/82/65/73/986826573.db2.gz FCXJKJFVKXLITG-GRYCIOLGSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@H](CC#N)N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001255156952 986829898 /nfs/dbraw/zinc/82/98/98/986829898.db2.gz UXZPWHJHRLSTEQ-SNVBAGLBSA-N 1 0 234.278 2.218 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccccc1O ZINC001255156325 986830036 /nfs/dbraw/zinc/83/00/36/986830036.db2.gz ZXGHGPWSCMMBHP-LBPRGKRZSA-N 1 0 218.300 2.217 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CC1(c2ccccn2)CC1 ZINC001255157639 986832965 /nfs/dbraw/zinc/83/29/65/986832965.db2.gz STSJARJRGHOCSP-LBPRGKRZSA-N 1 0 229.327 2.395 20 30 BEEDRO CC[C@@H](CC#N)N(CC[NH3+])c1ccc(F)cc1 ZINC001255162028 986835531 /nfs/dbraw/zinc/83/55/31/986835531.db2.gz FKTUNQYBBQWXPP-LBPRGKRZSA-N 1 0 235.306 2.283 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000393738387 986863582 /nfs/dbraw/zinc/86/35/82/986863582.db2.gz ACWXPXJLISCSBQ-ZYHUDNBSSA-N 1 0 239.746 2.408 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC001255173783 986867686 /nfs/dbraw/zinc/86/76/86/986867686.db2.gz DVTNRYFIAOCDDR-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCSC1 ZINC001255290582 986891532 /nfs/dbraw/zinc/89/15/32/986891532.db2.gz HQQRSRZTWVCDFD-YFKTTZPYSA-N 1 0 222.357 2.258 20 30 BEEDRO N#CCOc1ccccc1-c1ccncc1C[NH3+] ZINC001245558507 986949322 /nfs/dbraw/zinc/94/93/22/986949322.db2.gz UVJRQEKGINKMMO-UHFFFAOYSA-N 1 0 239.278 2.110 20 30 BEEDRO N#Cc1c(F)ccc(-c2ccncc2C[NH3+])c1F ZINC001245561563 986958409 /nfs/dbraw/zinc/95/84/09/986958409.db2.gz YBSIZTPZWJZLLT-UHFFFAOYSA-N 1 0 245.232 2.357 20 30 BEEDRO C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C ZINC001490978204 987097716 /nfs/dbraw/zinc/09/77/16/987097716.db2.gz YFGVMAPVYMJARP-AGUYFDCRSA-N 1 0 248.370 2.250 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001491004395 987097776 /nfs/dbraw/zinc/09/77/76/987097776.db2.gz GECZRMBQECZDRA-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)=C2CCC2)C1 ZINC001491012983 987101786 /nfs/dbraw/zinc/10/17/86/987101786.db2.gz QTGZYWRUSGYQRJ-OKILXGFUSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)[C@@H](C)CC)C1 ZINC001491068154 987112298 /nfs/dbraw/zinc/11/22/98/987112298.db2.gz YKSFAJWXFJSZGD-QNWHQSFQSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CC1(C)C ZINC001491435360 987164402 /nfs/dbraw/zinc/16/44/02/987164402.db2.gz MRUWWYWSCJHTIL-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@@H](CNC(C)=O)[C@H](C)C1 ZINC001101654821 987187519 /nfs/dbraw/zinc/18/75/19/987187519.db2.gz WDWYLABAZWVJAM-MBNYWOFBSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](CNC(=O)CCC)[C@H](C)C1 ZINC001101679934 987202587 /nfs/dbraw/zinc/20/25/87/987202587.db2.gz PAPVMISKDZCDMM-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1C[N@H+](CCC)C[C@H]1C ZINC001101806245 987205644 /nfs/dbraw/zinc/20/56/44/987205644.db2.gz IPHHQXQXBAKHCH-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H]1CN(C(=O)CC)C[C@H]1C ZINC001103795799 987253881 /nfs/dbraw/zinc/25/38/81/987253881.db2.gz XCGRWWNWXPFJCC-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCCC[C@@H](O)CNCC[NH2+]CC ZINC001245996597 987280848 /nfs/dbraw/zinc/28/08/48/987280848.db2.gz VVJIOLTXFVBNPI-CQSZACIVSA-N 1 0 242.407 2.073 20 30 BEEDRO CC[N@@H+]1CC[C@H]1CNc1cc(F)ccc1C#N ZINC001472862096 987297266 /nfs/dbraw/zinc/29/72/66/987297266.db2.gz IVPXOAOOMZIEGP-LBPRGKRZSA-N 1 0 233.290 2.203 20 30 BEEDRO CCCCCCCC[C@@H](O)CN(C)CC[NH2+]C ZINC001246014605 987297474 /nfs/dbraw/zinc/29/74/74/987297474.db2.gz PLROZQYQGZBGPA-CQSZACIVSA-N 1 0 244.423 2.249 20 30 BEEDRO C[C@@H](Cc1ccccn1)[NH2+]CCCCC#N ZINC000694053033 987319993 /nfs/dbraw/zinc/31/99/93/987319993.db2.gz WWUBRBPUHVDBGZ-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H](C)C1(CO)CC1 ZINC000695785336 987336383 /nfs/dbraw/zinc/33/63/83/987336383.db2.gz BPBSFHCYJSUYML-MNOVXSKESA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)C1(CO)CC1 ZINC000695785337 987337507 /nfs/dbraw/zinc/33/75/07/987337507.db2.gz BPBSFHCYJSUYML-QWRGUYRKSA-N 1 0 224.348 2.065 20 30 BEEDRO COCC[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695785333 987338611 /nfs/dbraw/zinc/33/86/11/987338611.db2.gz BNNWWHCZQDTSCZ-QWRGUYRKSA-N 1 0 212.337 2.329 20 30 BEEDRO N#C[C@@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000698061769 987368647 /nfs/dbraw/zinc/36/86/47/987368647.db2.gz BPEVENLPGCFXMQ-RVMXOQNASA-N 1 0 204.317 2.268 20 30 BEEDRO Cc1nc(C#N)n(CC[C@@H]2CCCC[N@H+]2C)c1C ZINC000699973441 987379076 /nfs/dbraw/zinc/37/90/76/987379076.db2.gz CKZJMKUXKYQYNT-ZDUSSCGKSA-N 1 0 246.358 2.246 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@@H]1CNCCO1 ZINC001246086090 987385564 /nfs/dbraw/zinc/38/55/64/987385564.db2.gz BUCGLLFTIGDLAZ-KBPBESRZSA-N 1 0 242.407 2.313 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C[C@@H]1CNCCO1 ZINC001246086092 987385868 /nfs/dbraw/zinc/38/58/68/987385868.db2.gz BUCGLLFTIGDLAZ-KGLIPLIRSA-N 1 0 242.407 2.313 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@H]1CNCCOC1 ZINC001246093249 987402977 /nfs/dbraw/zinc/40/29/77/987402977.db2.gz MSORXMNYTGCVIR-KBPBESRZSA-N 1 0 242.407 2.313 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(N(C)C)n1 ZINC001473489740 987452102 /nfs/dbraw/zinc/45/21/02/987452102.db2.gz GQIXKJOAFZZWBD-AWEZNQCLSA-N 1 0 231.343 2.039 20 30 BEEDRO C=C1C[C@@H]2CC(N[C@]34C[C@H]3C[NH2+]C4)C[C@H](C1)C2 ZINC001246136808 987495018 /nfs/dbraw/zinc/49/50/18/987495018.db2.gz WNRGPZRAIYHQDZ-YSZZHOLASA-N 1 0 232.371 2.073 20 30 BEEDRO C=CC[NH+]1CCN(c2ccc(OCC)cc2)CC1 ZINC001116418593 987562252 /nfs/dbraw/zinc/56/22/52/987562252.db2.gz ZUAQALIHHVIBJG-UHFFFAOYSA-N 1 0 246.354 2.393 20 30 BEEDRO C[C@@]12CSC[C@@H]1C[N@H+](CCCCC#N)C2 ZINC001473861796 987592527 /nfs/dbraw/zinc/59/25/27/987592527.db2.gz MDEYCHHQQKHTRL-NWDGAFQWSA-N 1 0 224.373 2.365 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001116541263 987623069 /nfs/dbraw/zinc/62/30/69/987623069.db2.gz CNTDWZJLLIZSSD-OAHLLOKOSA-N 1 0 247.338 2.342 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC001474006161 987628873 /nfs/dbraw/zinc/62/88/73/987628873.db2.gz LZFBWNUZRXLRRW-LBPRGKRZSA-N 1 0 246.358 2.131 20 30 BEEDRO C[C@@H]1C[C@H](N[C@H](C#N)c2ccc(F)cc2)CC[NH2+]1 ZINC001246233250 987631272 /nfs/dbraw/zinc/63/12/72/987631272.db2.gz ZQUFFDVIVHOZNW-LERXQTSPSA-N 1 0 247.317 2.120 20 30 BEEDRO CCCCCCC[C@H](C)N[C@H]1C[NH2+]C[C@@H]1OC ZINC001246240903 987643454 /nfs/dbraw/zinc/64/34/54/987643454.db2.gz SBWLYCLRPXZSTR-IHRRRGAJSA-N 1 0 242.407 2.312 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2ccccc2C1 ZINC001116619967 987643757 /nfs/dbraw/zinc/64/37/57/987643757.db2.gz CGRHHKAOTXAYMA-LSDHHAIUSA-N 1 0 231.339 2.335 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1cccc2cc[nH]c21 ZINC001116620194 987646354 /nfs/dbraw/zinc/64/63/54/987646354.db2.gz GNFGKNWXWXPAJC-ZDUSSCGKSA-N 1 0 230.311 2.459 20 30 BEEDRO C#CCC1([NH2+]Cc2cnsc2)CCC1 ZINC001474277108 987674228 /nfs/dbraw/zinc/67/42/28/987674228.db2.gz XTIZOJSNQLNGLV-UHFFFAOYSA-N 1 0 206.314 2.179 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@H]1CNCCC1=O ZINC001246297436 987688762 /nfs/dbraw/zinc/68/87/62/987688762.db2.gz ZVMSPKPIWMEDQR-OLZOCXBDSA-N 1 0 240.391 2.256 20 30 BEEDRO CC#CCC[NH2+][C@H](C)CSCCF ZINC001474408855 987716442 /nfs/dbraw/zinc/71/64/42/987716442.db2.gz WATPNWMRFSUQFT-SNVBAGLBSA-N 1 0 203.326 2.081 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001474478746 987723886 /nfs/dbraw/zinc/72/38/86/987723886.db2.gz BPUQIXLWGHXVGT-SDDRHHMPSA-N 1 0 227.348 2.471 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCSc1ccc(OC)cc1 ZINC001474513438 987744131 /nfs/dbraw/zinc/74/41/31/987744131.db2.gz QBJABIOVAUIIJI-LLVKDONJSA-N 1 0 235.352 2.399 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1COC(C)(C)O1)C(C)(C)C ZINC001474562344 987762323 /nfs/dbraw/zinc/76/23/23/987762323.db2.gz BEWHHCDHMCNOGT-UTUOFQBUSA-N 1 0 239.359 2.164 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@H](CO)c1ncc[nH]1 ZINC001474724273 987811638 /nfs/dbraw/zinc/81/16/38/987811638.db2.gz PZLPEYVZHXCJEG-VXGBXAGGSA-N 1 0 237.347 2.168 20 30 BEEDRO C[C@H]([NH2+]CCNc1ncccc1C#N)C1CCC1 ZINC001474761431 987821866 /nfs/dbraw/zinc/82/18/66/987821866.db2.gz FYLOOZPKTUSTGD-NSHDSACASA-N 1 0 244.342 2.143 20 30 BEEDRO C=C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC001246485872 987839912 /nfs/dbraw/zinc/83/99/12/987839912.db2.gz BAQWCUIGINEATQ-UONOGXRCSA-N 1 0 216.328 2.255 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H](CN)c1ccccc1 ZINC001246508584 987861850 /nfs/dbraw/zinc/86/18/50/987861850.db2.gz UMXDNAVWMOGIAH-GXTWGEPZSA-N 1 0 231.343 2.358 20 30 BEEDRO C=C1C[C@@H]2CC(N(C)CC[NH2+]C)C[C@H](C1)C2 ZINC001246524810 987874641 /nfs/dbraw/zinc/87/46/41/987874641.db2.gz SCSZHCUFEZCWGT-PBWFPOADSA-N 1 0 222.376 2.273 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)c(OC)c1)C1CC1 ZINC001117784126 987910084 /nfs/dbraw/zinc/91/00/84/987910084.db2.gz DRWJHQFMXFLLQE-UHFFFAOYSA-N 1 0 233.286 2.432 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccnn2C(C)C)C1 ZINC001321500231 987925513 /nfs/dbraw/zinc/92/55/13/987925513.db2.gz FFLYOQVGKBHCMY-CQSZACIVSA-N 1 0 249.358 2.241 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C(CC)CC)C1 ZINC001479946687 987926825 /nfs/dbraw/zinc/92/68/25/987926825.db2.gz YDRJFGHBKHWQHK-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001479945432 987929548 /nfs/dbraw/zinc/92/95/48/987929548.db2.gz ZJQMUHDGKDVKQF-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC1(C)CC1 ZINC001321589812 987944539 /nfs/dbraw/zinc/94/45/39/987944539.db2.gz SMKAEQQHFGOEBK-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]C[C@@H](C)NC(=O)CC1CC(C)(C)C1 ZINC001321628370 987953596 /nfs/dbraw/zinc/95/35/96/987953596.db2.gz VKZCDBLGRPHXJR-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[NH2+]CC1CC(C)C1 ZINC001480430854 987976332 /nfs/dbraw/zinc/97/63/32/987976332.db2.gz ADKIBNYNQIOSCF-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)C1CCCCC1 ZINC001321779600 987995952 /nfs/dbraw/zinc/99/59/52/987995952.db2.gz QVEXCIKCEMVYRC-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H](C)[NH2+]CCCC ZINC001480531643 988000342 /nfs/dbraw/zinc/00/03/42/988000342.db2.gz FDAZZVIRYLHHMT-OCCSQVGLSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)CCCC(C)C ZINC001480540143 988004482 /nfs/dbraw/zinc/00/44/82/988004482.db2.gz OADOMAMJQGQKMH-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)c1cc(C)ccc1C ZINC001480579080 988007899 /nfs/dbraw/zinc/00/78/99/988007899.db2.gz IABAWUGGRNAJQC-CYBMUJFWSA-N 1 0 246.354 2.197 20 30 BEEDRO CC(C)(C#N)CC[NH2+]C1(C2CC2)CCOCC1 ZINC001321856876 988027001 /nfs/dbraw/zinc/02/70/01/988027001.db2.gz KGHROVBUYDFFNS-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC1(C)C ZINC001480760541 988032189 /nfs/dbraw/zinc/03/21/89/988032189.db2.gz YXRGEOTZVBNRST-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCc2ccncc2C)C1 ZINC001118130820 988032207 /nfs/dbraw/zinc/03/22/07/988032207.db2.gz LUJUKNMUWIIOSS-HNNXBMFYSA-N 1 0 246.354 2.209 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)/C(C)=C/C ZINC001480755743 988032275 /nfs/dbraw/zinc/03/22/75/988032275.db2.gz AMTIWSDPAUDGJA-FZPLPXEFSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCc2ccncc2C)C1 ZINC001118130821 988037041 /nfs/dbraw/zinc/03/70/41/988037041.db2.gz LUJUKNMUWIIOSS-OAHLLOKOSA-N 1 0 246.354 2.209 20 30 BEEDRO CCCCCCC[C@@H](C)N1CC[C@@H](O)[C@H]([NH3+])C1 ZINC001246568596 988038483 /nfs/dbraw/zinc/03/84/83/988038483.db2.gz ADOZEFCUPCOJIX-MGPQQGTHSA-N 1 0 242.407 2.129 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C(C)C ZINC001493082885 988064022 /nfs/dbraw/zinc/06/40/22/988064022.db2.gz VEONKVGKCMWKJY-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C[C@@H]1CCC[C@H]1C ZINC001493555892 988096713 /nfs/dbraw/zinc/09/67/13/988096713.db2.gz RGTXOESTHORTEN-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@H+](C)CC=C(C)C ZINC001322125881 988097880 /nfs/dbraw/zinc/09/78/80/988097880.db2.gz ZETWSUSTAOBLLI-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C)NC(=O)C=C(C)C ZINC001322108066 988113968 /nfs/dbraw/zinc/11/39/68/988113968.db2.gz FGRJIUMVUYTTDA-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CC1CC1 ZINC001322217422 988152350 /nfs/dbraw/zinc/15/23/50/988152350.db2.gz FVOFPRIKHHKCEF-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC[NH+]1CC(CNC(=O)C(C)(C)C)C1 ZINC001494616321 988165886 /nfs/dbraw/zinc/16/58/86/988165886.db2.gz DYFKONUGFVXYGB-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)CC)C1 ZINC001494702445 988170603 /nfs/dbraw/zinc/17/06/03/988170603.db2.gz WPSFFABEVVEEPC-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1nnc2ccccn21 ZINC001118291832 988197267 /nfs/dbraw/zinc/19/72/67/988197267.db2.gz VIZVSHPUDWFZQL-QWRGUYRKSA-N 1 0 243.314 2.072 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CC)CNC(=O)C=C(C)C ZINC001494935503 988199969 /nfs/dbraw/zinc/19/99/69/988199969.db2.gz FUWRMPABSXPIDC-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@](C)(NC(C)=O)C1CC1 ZINC001495218669 988214580 /nfs/dbraw/zinc/21/45/80/988214580.db2.gz VSMHCUMKPNPWRL-SMDDNHRTSA-N 1 0 238.375 2.236 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCNC[C@H](O)C1 ZINC001246605306 988217667 /nfs/dbraw/zinc/21/76/67/988217667.db2.gz WOHCHVZZLDSZFJ-KGLIPLIRSA-N 1 0 242.407 2.002 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001495652113 988241182 /nfs/dbraw/zinc/24/11/82/988241182.db2.gz NGDSOEQEQFFHIJ-STQMWFEESA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001496140144 988286281 /nfs/dbraw/zinc/28/62/81/988286281.db2.gz FTBZBEDCKOMOFJ-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc(C)cc1 ZINC001496214837 988288045 /nfs/dbraw/zinc/28/80/45/988288045.db2.gz FGALFMAOTKSZCS-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)c1cc[nH]c1 ZINC001322520267 988310506 /nfs/dbraw/zinc/31/05/06/988310506.db2.gz QHGACEUSXDRTPK-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001322573840 988327386 /nfs/dbraw/zinc/32/73/86/988327386.db2.gz CIRADSSEFYHPFG-HIFRSBDPSA-N 1 0 233.355 2.453 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccc(C)cc1 ZINC001322573841 988329931 /nfs/dbraw/zinc/32/99/31/988329931.db2.gz CIRADSSEFYHPFG-UKRRQHHQSA-N 1 0 233.355 2.453 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CCC[NH2+]CC ZINC001322658325 988355293 /nfs/dbraw/zinc/35/52/93/988355293.db2.gz VKHNUVNUIFRGNZ-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)CC1CCCC1 ZINC001497131845 988359170 /nfs/dbraw/zinc/35/91/70/988359170.db2.gz JNHOJXHDERZQKO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)C(=C)C ZINC001497241122 988368783 /nfs/dbraw/zinc/36/87/83/988368783.db2.gz LHINVNLXOYIGOV-GFCCVEGCSA-N 1 0 238.375 2.259 20 30 BEEDRO C#CC[N@@H+](CCSC(C)C)CC1CC1 ZINC001322717501 988371745 /nfs/dbraw/zinc/37/17/45/988371745.db2.gz RWAKENIGPKFUBJ-UHFFFAOYSA-N 1 0 211.374 2.473 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001322862177 988390954 /nfs/dbraw/zinc/39/09/54/988390954.db2.gz OURIRUUVBVRSKJ-LBPRGKRZSA-N 1 0 239.322 2.376 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)/C(C)=C\C ZINC001497801434 988419382 /nfs/dbraw/zinc/41/93/82/988419382.db2.gz JTDWQBAELSCKEI-HUMZTAOYSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]CCC(C)C ZINC001497822787 988426846 /nfs/dbraw/zinc/42/68/46/988426846.db2.gz KSNAFBGJKMOXGL-CYBMUJFWSA-N 1 0 240.391 2.483 20 30 BEEDRO C[C@H](C#N)C[N@H+](CC1CCC(O)CC1)C1CC1 ZINC001118556970 988431358 /nfs/dbraw/zinc/43/13/58/988431358.db2.gz LXYCDKNJABUVBO-LKSINWNRSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C[NH2+]C(C)C)C1CC1 ZINC001323047061 988440376 /nfs/dbraw/zinc/44/03/76/988440376.db2.gz LXUGUQHEZBNGST-LBPRGKRZSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1 ZINC001118564784 988449541 /nfs/dbraw/zinc/44/95/41/988449541.db2.gz WZBSYLRLDIDKCY-OCCSQVGLSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](NC(=O)C(C)(C)C)C1CC1 ZINC001323100432 988450505 /nfs/dbraw/zinc/45/05/05/988450505.db2.gz PSFXTEPQYUPDKO-LBPRGKRZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CCC(C)(F)F ZINC001498061704 988451543 /nfs/dbraw/zinc/45/15/43/988451543.db2.gz KBNRBZVWHLTNMR-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246769472 988453714 /nfs/dbraw/zinc/45/37/14/988453714.db2.gz KLIFTCJJAHIXKG-OLZOCXBDSA-N 1 0 223.364 2.143 20 30 BEEDRO CC#CCCCC(=O)N[C@@H](C)C[NH2+]CCCC ZINC001498090547 988457355 /nfs/dbraw/zinc/45/73/55/988457355.db2.gz ILGSHZNJCWCUGJ-ZDUSSCGKSA-N 1 0 238.375 2.074 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)c1ccoc1C1CC1 ZINC001498101222 988458279 /nfs/dbraw/zinc/45/82/79/988458279.db2.gz ZSKMAAOCWYPGQG-JTQLQIEISA-N 1 0 248.326 2.051 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(CC)CC ZINC001498192019 988459819 /nfs/dbraw/zinc/45/98/19/988459819.db2.gz JHBIASQBZHGRPN-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCCC ZINC001498226819 988460046 /nfs/dbraw/zinc/46/00/46/988460046.db2.gz IJOCVHKMQOUKKA-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)/C=C(\C)CC ZINC001498541879 988492523 /nfs/dbraw/zinc/49/25/23/988492523.db2.gz OZRXRCYEAVVTPY-JLHYYAGUSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H](C)CC ZINC001498516498 988493767 /nfs/dbraw/zinc/49/37/67/988493767.db2.gz RUTJRGQCUIHWFX-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C[C@@H]1C[C@@H](N(CC#N)Cc2ccccc2)CC[NH2+]1 ZINC001246832224 988527313 /nfs/dbraw/zinc/52/73/13/988527313.db2.gz GRABQIYDQBIZIL-HIFRSBDPSA-N 1 0 243.354 2.153 20 30 BEEDRO C[C@H]1C[C@@H](N(CC#N)Cc2ccccc2)CC[NH2+]1 ZINC001246832228 988529944 /nfs/dbraw/zinc/52/99/44/988529944.db2.gz GRABQIYDQBIZIL-ZFWWWQNUSA-N 1 0 243.354 2.153 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C)C(C)C ZINC001499074829 988534028 /nfs/dbraw/zinc/53/40/28/988534028.db2.gz ZORCYDYLEJHKPF-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C(C)(C)C=C)CC1 ZINC001499311071 988547965 /nfs/dbraw/zinc/54/79/65/988547965.db2.gz XRUTWSYYOGEEKH-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C2CCC=CCC2)CC1 ZINC001499450638 988551017 /nfs/dbraw/zinc/55/10/17/988551017.db2.gz AJOGGXAWVMROMG-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCC(=O)N(C)C1C[NH+](CCC(=C)C)C1 ZINC001499643542 988554548 /nfs/dbraw/zinc/55/45/48/988554548.db2.gz RFRJRIYAHSJFEK-UHFFFAOYSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CC=C)C[C@H]1C ZINC001499819977 988559045 /nfs/dbraw/zinc/55/90/45/988559045.db2.gz ZFMQXSKDELEQAF-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CCC ZINC001499866222 988562672 /nfs/dbraw/zinc/56/26/72/988562672.db2.gz MIYRQOIKACYIHU-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001118788134 988592169 /nfs/dbraw/zinc/59/21/69/988592169.db2.gz HCQUKNLNLMNNEE-UHFFFAOYSA-N 1 0 243.310 2.291 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC)C1 ZINC001501066351 988593246 /nfs/dbraw/zinc/59/32/46/988593246.db2.gz FWXGIYIEAGIHGZ-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC=C ZINC001501377690 988604353 /nfs/dbraw/zinc/60/43/53/988604353.db2.gz IXGZQESMYSZXBH-UONOGXRCSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)CC ZINC001502369183 988638706 /nfs/dbraw/zinc/63/87/06/988638706.db2.gz BNDXFKHHZUKWNI-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001323906735 988645070 /nfs/dbraw/zinc/64/50/70/988645070.db2.gz GRQPMKCYEAESME-CQSZACIVSA-N 1 0 232.327 2.167 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC2CCC(O)CC2)C1 ZINC001118894024 988671834 /nfs/dbraw/zinc/67/18/34/988671834.db2.gz QADNKJCIPHCVSG-HSBZDZAISA-N 1 0 223.360 2.436 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([NH2+]C(C)C)C[C@@H]1C ZINC001324053263 988678614 /nfs/dbraw/zinc/67/86/14/988678614.db2.gz VBOGVWBBTZPVGJ-STQMWFEESA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)C ZINC001505547906 988689812 /nfs/dbraw/zinc/68/98/12/988689812.db2.gz QQWABAUCECAJOO-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C(CC)CC ZINC001505561770 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990266950 /nfs/dbraw/zinc/26/69/50/990266950.db2.gz CATNKSNLEAMOPO-OLZOCXBDSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001122191640 990286591 /nfs/dbraw/zinc/28/65/91/990286591.db2.gz MUQIUIXHWHNJBE-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC001122191641 990287510 /nfs/dbraw/zinc/28/75/10/990287510.db2.gz MUQIUIXHWHNJBE-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(CCC#N)cc1 ZINC001122253491 990307750 /nfs/dbraw/zinc/30/77/50/990307750.db2.gz NTZDNOZYYNDJCG-CYBMUJFWSA-N 1 0 245.326 2.065 20 30 BEEDRO CC(C)(C[NH3+])C(=O)Nc1ccc(CCC#N)cc1 ZINC001122254108 990310393 /nfs/dbraw/zinc/31/03/93/990310393.db2.gz OTNFYKVDHZHJJL-UHFFFAOYSA-N 1 0 245.326 2.066 20 30 BEEDRO C=CCCCN(CC)C(=O)CC[NH2+]C(C)C ZINC001122409908 990357808 /nfs/dbraw/zinc/35/78/08/990357808.db2.gz HUVRFJBTXOPJMF-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC(C)(C)NC(=O)C[C@@H](C[NH3+])CC(C)C ZINC001122417219 990380444 /nfs/dbraw/zinc/38/04/44/990380444.db2.gz ASWMHFAVEGCTSN-NSHDSACASA-N 1 0 226.364 2.078 20 30 BEEDRO CCCCCCC[NH2+]CCNC(=O)C(C)(C)F ZINC001122563012 990412655 /nfs/dbraw/zinc/41/26/55/990412655.db2.gz PVNKXLLSEDUDTH-UHFFFAOYSA-N 1 0 246.370 2.411 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)c1ccccc1C ZINC001122858345 990454082 /nfs/dbraw/zinc/45/40/82/990454082.db2.gz BOWCBWJGGRQTAJ-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)c1cccc(C)c1 ZINC001122996344 990486210 /nfs/dbraw/zinc/48/62/10/990486210.db2.gz IKZZHOOIHLCGFV-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@@H](C)CC[NH+](C)C)c1 ZINC001540337273 990608619 /nfs/dbraw/zinc/60/86/19/990608619.db2.gz LRPAGNCFVHUJNO-LBPRGKRZSA-N 1 0 244.338 2.194 20 30 BEEDRO C=C(CC(C)C)C(=O)N1CC[NH+](CCC)CC1 ZINC001123554847 990609437 /nfs/dbraw/zinc/60/94/37/990609437.db2.gz VEIOHMBZYMJGIU-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CCCC ZINC001123671563 990643789 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N#CCC[N@@H+](Cc1ccc(=O)[nH]c1)C1CCCC1 ZINC001139466927 991253128 /nfs/dbraw/zinc/25/31/28/991253128.db2.gz WEJUJQIDQCOFLV-UHFFFAOYSA-N 1 0 245.326 2.445 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](C)CCC(=O)OC)cc1 ZINC001258354250 991290262 /nfs/dbraw/zinc/29/02/62/991290262.db2.gz WQOQUZSMIFZLPE-GFCCVEGCSA-N 1 0 245.322 2.099 20 30 BEEDRO CC#CC[N@H+](C)C[C@@](O)(c1ccccc1)C(C)C ZINC001559874107 991301397 /nfs/dbraw/zinc/30/13/97/991301397.db2.gz HAURVHNKSUCWRM-INIZCTEOSA-N 1 0 245.366 2.485 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccnn1C1CCC1 ZINC001340064454 991303105 /nfs/dbraw/zinc/30/31/05/991303105.db2.gz NWXMFVPSMPSJNH-VXGBXAGGSA-N 1 0 249.358 2.460 20 30 BEEDRO C#C[C@@H]1COCC[N@@H+]1CC1CCCCCC1 ZINC001559899382 991306827 /nfs/dbraw/zinc/30/68/27/991306827.db2.gz FRQOGZFEAZRZFU-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[Si](C)(C)c1ccccc1 ZINC001559892885 991307421 /nfs/dbraw/zinc/30/74/21/991307421.db2.gz CCRJEIAYMCJVMU-ZDUSSCGKSA-N 1 0 246.430 2.423 20 30 BEEDRO COCC[N@H+](C)Cc1c[nH]c2c1cccc2C#N ZINC001139701338 991331460 /nfs/dbraw/zinc/33/14/60/991331460.db2.gz DWUUQKZUBDMHFL-UHFFFAOYSA-N 1 0 243.310 2.118 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001340917062 991333623 /nfs/dbraw/zinc/33/36/23/991333623.db2.gz MUQIUIXHWHNJBE-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC001340917063 991335165 /nfs/dbraw/zinc/33/51/65/991335165.db2.gz MUQIUIXHWHNJBE-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)c(C#N)c2)C1 ZINC001139726953 991348414 /nfs/dbraw/zinc/34/84/14/991348414.db2.gz CYXHNARIJXXZFW-CQSZACIVSA-N 1 0 242.322 2.278 20 30 BEEDRO C#CC[NH2+]C1CCN(c2cccc(F)c2)CC1 ZINC001258406764 991349543 /nfs/dbraw/zinc/34/95/43/991349543.db2.gz HKEAZBLIFURHHJ-UHFFFAOYSA-N 1 0 232.302 2.017 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCCC[C@H]2C)cn1 ZINC001139766914 991361411 /nfs/dbraw/zinc/36/14/11/991361411.db2.gz YQEMMKGVTHRURY-GFCCVEGCSA-N 1 0 219.332 2.444 20 30 BEEDRO C=CCn1cc(C[N@H+]2C[C@@H]3C[C@H]2C[C@H]3F)cn1 ZINC001139770330 991366604 /nfs/dbraw/zinc/36/66/04/991366604.db2.gz MNGUJIZELUCCGQ-RWMBFGLXSA-N 1 0 235.306 2.001 20 30 BEEDRO C=CCn1cc(C[N@@H+](CC)C2CCOCC2)cn1 ZINC001139770738 991366862 /nfs/dbraw/zinc/36/68/62/991366862.db2.gz YXFHPGHNELMKBT-UHFFFAOYSA-N 1 0 249.358 2.070 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)CCC ZINC001317539308 991376347 /nfs/dbraw/zinc/37/63/47/991376347.db2.gz SFGUPHGNYMNJTQ-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO Cc1ccc(C[NH+]2CCC(S)CC2)nc1 ZINC001139840409 991398338 /nfs/dbraw/zinc/39/83/38/991398338.db2.gz PNKNHIYDJXSFQN-UHFFFAOYSA-N 1 0 222.357 2.284 20 30 BEEDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(C#N)nc1 ZINC001258453449 991404649 /nfs/dbraw/zinc/40/46/49/991404649.db2.gz QRMFUWBKMQVWGF-JTQLQIEISA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(F)cc(C#N)c1 ZINC001139873498 991407417 /nfs/dbraw/zinc/40/74/17/991407417.db2.gz SABITIAJKGBZRG-HZMBPMFUSA-N 1 0 248.301 2.043 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)/C(C)=C/C)[C@H]1C ZINC001316779322 991419947 /nfs/dbraw/zinc/41/99/47/991419947.db2.gz GOOSAHHZFDDWFV-YCBFNFSOSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[N@H+](CC)CCCNC(=O)C=C1CCC1 ZINC001316888319 991426747 /nfs/dbraw/zinc/42/67/47/991426747.db2.gz RVLICVFSQMMQRS-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C=CC[N@@H+](C)Cc1c[nH]c2ncnc(Cl)c12 ZINC001139935783 991427319 /nfs/dbraw/zinc/42/73/19/991427319.db2.gz AOCDUQYBTPYENB-UHFFFAOYSA-N 1 0 236.706 2.181 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)CCC)C1 ZINC001316973713 991429971 /nfs/dbraw/zinc/42/99/71/991429971.db2.gz HUXDVNMDFSJTTH-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC12CC[NH+](CC=C)CC2 ZINC001316999400 991435737 /nfs/dbraw/zinc/43/57/37/991435737.db2.gz NDXIKLCYZARSFI-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CNC(=O)CCC)C1CC1 ZINC001317008930 991436589 /nfs/dbraw/zinc/43/65/89/991436589.db2.gz FLWXUABKLJRDFQ-NSHDSACASA-N 1 0 244.766 2.023 20 30 BEEDRO C#CC(CC)(CC)[NH2+][C@@H](C)CCC(=O)OCC ZINC001258472050 991439128 /nfs/dbraw/zinc/43/91/28/991439128.db2.gz INDVZJYCGAXOIM-LBPRGKRZSA-N 1 0 239.359 2.500 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H](C)CCC)C1 ZINC001317056282 991444978 /nfs/dbraw/zinc/44/49/78/991444978.db2.gz JWGQXLCYUDJKJU-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)CC)C1 ZINC001317070625 991448725 /nfs/dbraw/zinc/44/87/25/991448725.db2.gz PAJBUIHASYVEMB-AVGNSLFASA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CCCC)C1 ZINC001317070962 991448926 /nfs/dbraw/zinc/44/89/26/991448926.db2.gz TYFPKTWFPPIGEQ-XYPYZODXSA-N 1 0 244.766 2.166 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@@H](C)CCO)c1 ZINC001560353793 991459733 /nfs/dbraw/zinc/45/97/33/991459733.db2.gz WSINPINLFREXDI-ZDUSSCGKSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC1CC1 ZINC001317222172 991460934 /nfs/dbraw/zinc/46/09/34/991460934.db2.gz KIMKKACJYFMVTG-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C[C@H](C)CCC ZINC001317230357 991468213 /nfs/dbraw/zinc/46/82/13/991468213.db2.gz VHLZAIYGQJBTTJ-CHWSQXEVSA-N 1 0 240.391 2.483 20 30 BEEDRO SCC[NH2+]C1CCN(c2ccccc2)CC1 ZINC001258501025 991469532 /nfs/dbraw/zinc/46/95/32/991469532.db2.gz LASMTNNPEVFOSB-UHFFFAOYSA-N 1 0 236.384 2.175 20 30 BEEDRO C#CC1([NH2+]C2CCN(c3ccccc3)CC2)CC1 ZINC001258505890 991469626 /nfs/dbraw/zinc/46/96/26/991469626.db2.gz UDXLKJIUMPJGKA-UHFFFAOYSA-N 1 0 240.350 2.411 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)CCC ZINC001317229504 991469719 /nfs/dbraw/zinc/46/97/19/991469719.db2.gz FLSTYMOYZZTMDV-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C1CC1 ZINC001317236415 991471393 /nfs/dbraw/zinc/47/13/93/991471393.db2.gz YFAPEEOWIKVBQY-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)CCC1CC1 ZINC001317232785 991471634 /nfs/dbraw/zinc/47/16/34/991471634.db2.gz VATUDYBDYFVPFX-LBPRGKRZSA-N 1 0 238.375 2.237 20 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30 BEEDRO C=CCC[NH2+][C@H](C)CCNC(=O)c1ccccc1 ZINC001317392405 991497226 /nfs/dbraw/zinc/49/72/26/991497226.db2.gz XXVSWPLKRJFKGM-CYBMUJFWSA-N 1 0 246.354 2.361 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C=C1CCC1 ZINC001317392210 991497244 /nfs/dbraw/zinc/49/72/44/991497244.db2.gz XGXFCIAHCJYMIY-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C1CCCC1 ZINC001317392002 991497773 /nfs/dbraw/zinc/49/77/73/991497773.db2.gz SYPHCSUQNHSIIC-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C=C(C)C ZINC001317389657 991498112 /nfs/dbraw/zinc/49/81/12/991498112.db2.gz KJJKUNWJUTZWBQ-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C1CCC2(CCC2)CC1 ZINC001560575422 991503706 /nfs/dbraw/zinc/50/37/06/991503706.db2.gz GLDWFSHVQDRACX-CQSZACIVSA-N 1 0 235.371 2.463 20 30 BEEDRO CC1C[NH+](Cc2c[nH]c3ccc(C#N)cc23)C1 ZINC001140110958 991519108 /nfs/dbraw/zinc/51/91/08/991519108.db2.gz VVFXOPOAXALIAR-UHFFFAOYSA-N 1 0 225.295 2.491 20 30 BEEDRO C[N@H+](CCF)Cc1c[nH]c2ccc(C#N)cc12 ZINC001140119401 991521189 /nfs/dbraw/zinc/52/11/89/991521189.db2.gz YYRGKAWPOMZRIH-UHFFFAOYSA-N 1 0 231.274 2.441 20 30 BEEDRO C=CCN1CC[NH+]([C@@H]2CCC(C)(C)C2)CC1 ZINC001258606468 991521162 /nfs/dbraw/zinc/52/11/62/991521162.db2.gz YJOIXQMZGHRFFH-CYBMUJFWSA-N 1 0 222.376 2.369 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH2+]Cc1cc(C#N)co1 ZINC001258619984 991544140 /nfs/dbraw/zinc/54/41/40/991544140.db2.gz BYUAVXFVTNEGFV-LLVKDONJSA-N 1 0 241.294 2.267 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)Cc1cccnc1 ZINC001258619181 991545876 /nfs/dbraw/zinc/54/58/76/991545876.db2.gz NWLBHVQNGYDSOS-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO C[C@@H](Cc1cccnc1)[NH2+]CC(C)(C)S ZINC001258618479 991545963 /nfs/dbraw/zinc/54/59/63/991545963.db2.gz XYVYLANYIXRPTI-JTQLQIEISA-N 1 0 224.373 2.311 20 30 BEEDRO C[C@@H](Cc1cccnc1)[NH2+]Cc1cc(C#N)co1 ZINC001258619985 991546152 /nfs/dbraw/zinc/54/61/52/991546152.db2.gz BYUAVXFVTNEGFV-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO C[C@@H](Cc1cccnc1)[NH+]1CCC(C#N)CC1 ZINC001258622356 991552160 /nfs/dbraw/zinc/55/21/60/991552160.db2.gz KXPAFBJJZUVKPT-LBPRGKRZSA-N 1 0 229.327 2.248 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(C)c(O)cc1C ZINC001140201217 991564358 /nfs/dbraw/zinc/56/43/58/991564358.db2.gz HMUHWNPXXASESO-UHFFFAOYSA-N 1 0 203.285 2.074 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]1CC ZINC001317625517 991569395 /nfs/dbraw/zinc/56/93/95/991569395.db2.gz DCUFOBDCTVPYJF-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)CCC1(C)CC1 ZINC001317649566 991573089 /nfs/dbraw/zinc/57/30/89/991573089.db2.gz GUSVIPIOFOLIMS-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCCN(CCC#N)Cc1ccncc1O ZINC001140278744 991573272 /nfs/dbraw/zinc/57/32/72/991573272.db2.gz VDQINKKCPHVJKW-UHFFFAOYSA-N 1 0 233.315 2.303 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@]1(C)CCCCO1 ZINC001560732354 991580939 /nfs/dbraw/zinc/58/09/39/991580939.db2.gz JRVNGBZZALVNOI-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC)C1 ZINC001317827572 991584698 /nfs/dbraw/zinc/58/46/98/991584698.db2.gz WWGCILSNUCJEIW-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CCC[N@@H+](CCC)C1 ZINC001317972277 991599994 /nfs/dbraw/zinc/59/99/94/991599994.db2.gz BRCBNQPHXNJTIM-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cn(CCC)nc1C)C(C)C ZINC001560816817 991611400 /nfs/dbraw/zinc/61/14/00/991611400.db2.gz FJBKPCDKUVWMOV-CQSZACIVSA-N 1 0 233.359 2.349 20 30 BEEDRO C=CC[N@H+](Cc1ccncn1)C(C)(C)C ZINC001140348655 991622428 /nfs/dbraw/zinc/62/24/28/991622428.db2.gz DWSVQPFMTKIZQR-UHFFFAOYSA-N 1 0 205.305 2.263 20 30 BEEDRO C#CCN1CC[NH+]([C@H]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC001258700176 991634159 /nfs/dbraw/zinc/63/41/59/991634159.db2.gz JUFLYKFUFUNERX-CABCVRRESA-N 1 0 248.414 2.452 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nnc2cc(C)ccn21 ZINC001258716553 991641340 /nfs/dbraw/zinc/64/13/40/991641340.db2.gz ASUDXECZSFMSMZ-LBPRGKRZSA-N 1 0 244.342 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)c1cncnc1 ZINC001258718138 991644408 /nfs/dbraw/zinc/64/44/08/991644408.db2.gz HVTGEXLUKQRURI-GHMZBOCLSA-N 1 0 205.305 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cn2cccnc2n1 ZINC001258717750 991645705 /nfs/dbraw/zinc/64/57/05/991645705.db2.gz YVTPSDSQIJMOSP-NSHDSACASA-N 1 0 230.315 2.174 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](NC(=O)CC)C1 ZINC001318310008 991646576 /nfs/dbraw/zinc/64/65/76/991646576.db2.gz CTKKEONXPCCDJN-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1F ZINC001258719821 991648324 /nfs/dbraw/zinc/64/83/24/991648324.db2.gz KODJVZFKVKNXJD-HBNTYKKESA-N 1 0 201.285 2.058 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nc(C2CC2)no1 ZINC001258720014 991648755 /nfs/dbraw/zinc/64/87/55/991648755.db2.gz OUODKQFWYFVQFZ-SECBINFHSA-N 1 0 221.304 2.391 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCC(F)(F)C1 ZINC001258720873 991651918 /nfs/dbraw/zinc/65/19/18/991651918.db2.gz IBCHFZKYNDBCOF-LLVKDONJSA-N 1 0 232.318 2.272 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCN(CC=C)C1=O ZINC001258721090 991652499 /nfs/dbraw/zinc/65/24/99/991652499.db2.gz MOMWAVOIIXGQMQ-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001318377060 991654949 /nfs/dbraw/zinc/65/49/49/991654949.db2.gz ZVMGJUOKOLIFBU-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](CO)c1ccncc1 ZINC001258722486 991656750 /nfs/dbraw/zinc/65/67/50/991656750.db2.gz PHZSFYSWZAOMFM-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C(=O)N(C)C)[C@@H](C)CC ZINC001258724247 991658283 /nfs/dbraw/zinc/65/82/83/991658283.db2.gz RJTLFCPAEAULTN-XQQFMLRXSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cncn1CCF ZINC001258724552 991658621 /nfs/dbraw/zinc/65/86/21/991658621.db2.gz ZOWWVLVBGRWAQF-LLVKDONJSA-N 1 0 225.311 2.297 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@]12CCCOC2 ZINC001258723767 991658819 /nfs/dbraw/zinc/65/88/19/991658819.db2.gz DMDBXPFXWNBFFA-AVGNSLFASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC001258725380 991663553 /nfs/dbraw/zinc/66/35/53/991663553.db2.gz KVWYAPVNADVQGQ-AVGNSLFASA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)C=C(C)C ZINC001318495375 991663980 /nfs/dbraw/zinc/66/39/80/991663980.db2.gz CXHWFDLJEXPECD-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cccnc1N ZINC001560944657 991663953 /nfs/dbraw/zinc/66/39/53/991663953.db2.gz HZJHPOQSKJCZEQ-UHFFFAOYSA-N 1 0 219.332 2.356 20 30 BEEDRO CC(C)C[N@H+](C)Cc1ccc(C#N)nc1 ZINC001140540552 991665950 /nfs/dbraw/zinc/66/59/50/991665950.db2.gz AFRASKWWAWXLDK-UHFFFAOYSA-N 1 0 203.289 2.041 20 30 BEEDRO C=CCC[C@@H](C)n1c(C)nc2c1CC[NH2+]CC2 ZINC001258727703 991668426 /nfs/dbraw/zinc/66/84/26/991668426.db2.gz ILKDDOXGIWUVQT-LLVKDONJSA-N 1 0 233.359 2.407 20 30 BEEDRO C#CCCCCC(=O)NC[C@H](CC)[NH2+]C(C)C ZINC001318514568 991671437 /nfs/dbraw/zinc/67/14/37/991671437.db2.gz KYYHFVDXUHQSRV-ZDUSSCGKSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CC[C@H]2C[C@]21C(=O)OCC ZINC001258729849 991672884 /nfs/dbraw/zinc/67/28/84/991672884.db2.gz YAVXFQVUVOQWIG-SGMGOOAPSA-N 1 0 237.343 2.369 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCC1OCCO1 ZINC001258733015 991677034 /nfs/dbraw/zinc/67/70/34/991677034.db2.gz TWCTXXVZXXROSL-LLVKDONJSA-N 1 0 213.321 2.036 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@H]2[C@H](C(=O)OCC)[C@H]2C1 ZINC001258732140 991677406 /nfs/dbraw/zinc/67/74/06/991677406.db2.gz JJHHGNVEHVRURO-WUHRBBMRSA-N 1 0 237.343 2.082 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](CC)CCC(=O)OC ZINC001258733369 991679220 /nfs/dbraw/zinc/67/92/20/991679220.db2.gz FVBICARSJQQTES-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](CC(=O)OC)C1 ZINC001258734222 991679255 /nfs/dbraw/zinc/67/92/55/991679255.db2.gz VHGURTCCFHGZHB-NWDGAFQWSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCn2nccc2C1 ZINC001258734332 991680489 /nfs/dbraw/zinc/68/04/89/991680489.db2.gz WYIULJFOJPLKEW-NSHDSACASA-N 1 0 205.305 2.053 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+](CC)CC(=O)OCC ZINC001258734202 991681413 /nfs/dbraw/zinc/68/14/13/991681413.db2.gz UZIXLDJYRZMJSC-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCc2c(cnn2C)C1 ZINC001258733460 991681712 /nfs/dbraw/zinc/68/17/12/991681712.db2.gz GKNWQBZHNHHWFL-LLVKDONJSA-N 1 0 219.332 2.133 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@H](Oc2cnccn2)C1 ZINC001258735975 991688995 /nfs/dbraw/zinc/68/89/95/991688995.db2.gz GZYVMZLIBHUYLS-STQMWFEESA-N 1 0 247.342 2.284 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1C[C@H](C)[C@@H](C(=O)OC)C1 ZINC001258736193 991689998 /nfs/dbraw/zinc/68/99/98/991689998.db2.gz NZVCSDBAJLPXSU-SRVKXCTJSA-N 1 0 225.332 2.082 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001258736676 991690032 /nfs/dbraw/zinc/69/00/32/991690032.db2.gz YKLCCZJKPAFQLJ-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(C#N)cn1 ZINC001318680011 991698945 /nfs/dbraw/zinc/69/89/45/991698945.db2.gz CMXJWFQQFIPSLW-OLZOCXBDSA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cn1 ZINC001318680010 991699740 /nfs/dbraw/zinc/69/97/40/991699740.db2.gz CMXJWFQQFIPSLW-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCC(F)F)C1 ZINC001561047390 991700092 /nfs/dbraw/zinc/70/00/92/991700092.db2.gz NTEAZJWKQJHHEE-IUCAKERBSA-N 1 0 202.248 2.314 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3CCC[C@H]23)CCOCC1 ZINC001561045093 991700915 /nfs/dbraw/zinc/70/09/15/991700915.db2.gz UJRGGPOTWGADRP-MELADBBJSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]3CCC[C@@H]32)CCOCC1 ZINC001561045092 991702100 /nfs/dbraw/zinc/70/21/00/991702100.db2.gz UJRGGPOTWGADRP-IHRRRGAJSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CCC1(O)C[NH+](C[C@H]2CCCC[C@@H]2C)C1 ZINC001561048927 991705279 /nfs/dbraw/zinc/70/52/79/991705279.db2.gz ICCRFPMLHFNBOS-QWHCGFSZSA-N 1 0 223.360 2.436 20 30 BEEDRO CC(C)C[C@H](C)[NH2+]CCNc1ncccc1C#N ZINC001561057279 991708382 /nfs/dbraw/zinc/70/83/82/991708382.db2.gz LCCUNRZCGJPVDZ-LBPRGKRZSA-N 1 0 246.358 2.389 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(C#N)nc1 ZINC001319014373 991766496 /nfs/dbraw/zinc/76/64/96/991766496.db2.gz QUNIGTMMRDOMEE-ZIAGYGMSSA-N 1 0 244.342 2.238 20 30 BEEDRO N#CCOc1cccc(C[NH2+]Cc2cc[nH]c2)c1 ZINC001319042396 991771854 /nfs/dbraw/zinc/77/18/54/991771854.db2.gz YTSGDUOTFISRNB-UHFFFAOYSA-N 1 0 241.294 2.207 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)CNC(=O)c1ccccc1 ZINC001319152788 991803050 /nfs/dbraw/zinc/80/30/50/991803050.db2.gz CCXFBZNYFINPHU-CYBMUJFWSA-N 1 0 246.354 2.218 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CCC[C@H](C)C1 ZINC001258807791 991812263 /nfs/dbraw/zinc/81/22/63/991812263.db2.gz VBNUKGBHWNINJN-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001565870249 991814157 /nfs/dbraw/zinc/81/41/57/991814157.db2.gz OIUBTWNUIDIBFM-UKFCHNOGSA-N 1 0 248.370 2.179 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](CNC(=O)/C(C)=C/C)C1 ZINC001565862257 991814587 /nfs/dbraw/zinc/81/45/87/991814587.db2.gz 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C=CCC[NH2+][C@@H](C)CNC(=O)/C=C\C(C)(C)C ZINC001567004370 991905072 /nfs/dbraw/zinc/90/50/72/991905072.db2.gz KDQXBBFWOGADHJ-LAUAKBEESA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)C[C@H](C)CC)C1 ZINC001567121654 991949912 /nfs/dbraw/zinc/94/99/12/991949912.db2.gz RVCJCJANEBMZKA-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CC[N@@H+](Cc1c(C)noc1C)CC1CC1 ZINC001319720970 991950849 /nfs/dbraw/zinc/95/08/49/991950849.db2.gz ARIPABNUWYPUCL-UHFFFAOYSA-N 1 0 218.300 2.137 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CCNC(=O)C(C)(F)F ZINC001567205231 991960899 /nfs/dbraw/zinc/96/08/99/991960899.db2.gz CZQUGQYTQNRYKN-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CC1(C)C ZINC001567277965 991978619 /nfs/dbraw/zinc/97/86/19/991978619.db2.gz VFIHNPQOCSPZRK-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H](C)C1 ZINC001567306902 992007774 /nfs/dbraw/zinc/00/77/74/992007774.db2.gz HAHMZFZFAXYIRX-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)/C(C)=C/C)C(C)C ZINC001319901385 992025529 /nfs/dbraw/zinc/02/55/29/992025529.db2.gz AQGPYIGCNIBGKP-WHGQRRHOSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CNC(=O)/C(C)=C\C)C(C)C ZINC001319908916 992029975 /nfs/dbraw/zinc/02/99/75/992029975.db2.gz WLAJNRURJXHVDF-OTAKNEKHSA-N 1 0 238.375 2.259 20 30 BEEDRO C=C(C)C[N@H+](CCC)CCNC(=O)[C@H](F)CC ZINC001567429432 992040906 /nfs/dbraw/zinc/04/09/06/992040906.db2.gz UESILOIGHHAVLL-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)CC[C@H](C)CC ZINC001567579722 992063055 /nfs/dbraw/zinc/06/30/55/992063055.db2.gz SRRDWXMTEOJDIL-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)[C@H](C)[C@@H](C)CC ZINC001567582671 992067239 /nfs/dbraw/zinc/06/72/39/992067239.db2.gz XNNMDEBXPLDWGV-QWHCGFSZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=C(C)C[N@@H+](CCCNC(=O)C(F)F)C(C)C ZINC001567635917 992070190 /nfs/dbraw/zinc/07/01/90/992070190.db2.gz JILFGZWCVUIKRW-UHFFFAOYSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCCCC(=O)NCC[C@@H]1CC[N@@H+](CC)C1 ZINC001567708603 992077189 /nfs/dbraw/zinc/07/71/89/992077189.db2.gz WFGAHTMJJKOHFJ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H](C)CC)C1 ZINC001567694970 992078720 /nfs/dbraw/zinc/07/87/20/992078720.db2.gz SZPNNHVWCUHTOY-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCO[C@@H]1CCN(Cc2ncc(CC)o2)C1 ZINC001320037931 992080151 /nfs/dbraw/zinc/08/01/51/992080151.db2.gz LQSBCQCPPGYTLF-GFCCVEGCSA-N 1 0 236.315 2.014 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCOCCCC)C1 ZINC001320038445 992081322 /nfs/dbraw/zinc/08/13/22/992081322.db2.gz SJHNMBNFOZHTJV-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)/C=C(\C)CC ZINC001567958882 992121553 /nfs/dbraw/zinc/12/15/53/992121553.db2.gz BZDLLSMKTBADJD-YQCJOKCJSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)/C=C(/C)CC ZINC001567958879 992122769 /nfs/dbraw/zinc/12/27/69/992122769.db2.gz BZDLLSMKTBADJD-FSBNRTBOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)CC(C)=C(C)C ZINC001567971640 992122866 /nfs/dbraw/zinc/12/28/66/992122866.db2.gz JPKHIUCQWHSIAH-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)CC(C)(F)F ZINC001567977531 992126001 /nfs/dbraw/zinc/12/60/01/992126001.db2.gz YVRINMWGEKXGOB-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)CC[NH2+]CC1(NC(=O)CC)CCCC1 ZINC001567992205 992129111 /nfs/dbraw/zinc/12/91/11/992129111.db2.gz QMPKGBHVGIKYLD-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(SC)cc1 ZINC001320282237 992156963 /nfs/dbraw/zinc/15/69/63/992156963.db2.gz QRQUFJPMWVQRFI-UHFFFAOYSA-N 1 0 249.379 2.490 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC001320301595 992160013 /nfs/dbraw/zinc/16/00/13/992160013.db2.gz FZHUSUODGCJULE-SWLSCSKDSA-N 1 0 247.338 2.473 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1ccc(COC)cc1 ZINC001320294058 992160767 /nfs/dbraw/zinc/16/07/67/992160767.db2.gz INDYYUDCSQQZBK-CQSZACIVSA-N 1 0 235.327 2.124 20 30 BEEDRO C=CC[N@@H+](C)CCN(C)C(=O)C(C)(C)C(=C)C ZINC001568491646 992177311 /nfs/dbraw/zinc/17/73/11/992177311.db2.gz QBLLLIKNTSPIJF-UHFFFAOYSA-N 1 0 238.375 2.165 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCOCC1)C1CCCC1 ZINC001474748922 992197034 /nfs/dbraw/zinc/19/70/34/992197034.db2.gz YCHZVURTBPDZES-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)CC[NH2+]CC(=C)C ZINC001568613352 992197373 /nfs/dbraw/zinc/19/73/73/992197373.db2.gz YMWCSMROURZARH-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC1CCC1 ZINC001568617338 992197409 /nfs/dbraw/zinc/19/74/09/992197409.db2.gz YSLAUBUBFFOWGO-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)/C=C(\C)CC ZINC001568628489 992201439 /nfs/dbraw/zinc/20/14/39/992201439.db2.gz BMZQENRQJYCSBT-YLSINNKHSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)C(C)(C)CC ZINC001568672294 992205129 /nfs/dbraw/zinc/20/51/29/992205129.db2.gz IVQCRWDULKDUKN-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C\CNC(=O)/C(C)=C\C ZINC001568832393 992223957 /nfs/dbraw/zinc/22/39/57/992223957.db2.gz LNORYNMMMHLPNJ-YNIKJRPTSA-N 1 0 236.359 2.181 20 30 BEEDRO C#CCCC[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC001261276803 992243030 /nfs/dbraw/zinc/24/30/30/992243030.db2.gz SUAWTBRDFLQUNH-ZDUSSCGKSA-N 1 0 245.322 2.002 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C(C)(C)C ZINC001320615804 992275230 /nfs/dbraw/zinc/27/52/30/992275230.db2.gz MYVGVRCQOILONC-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccoc2C)C1 ZINC001261367254 992275296 /nfs/dbraw/zinc/27/52/96/992275296.db2.gz YNWKCENFYXMGCP-CYBMUJFWSA-N 1 0 221.300 2.365 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC001320642193 992289603 /nfs/dbraw/zinc/28/96/03/992289603.db2.gz VRHZTHOJSSTVBP-GFCCVEGCSA-N 1 0 227.348 2.078 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H](C)C[NH2+]CC1CC1 ZINC001569073671 992295489 /nfs/dbraw/zinc/29/54/89/992295489.db2.gz DIGUPVBLEPPWFL-NSHDSACASA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C1CCCC1 ZINC001569102228 992302660 /nfs/dbraw/zinc/30/26/60/992302660.db2.gz OVSBBCDIPQXZFG-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C)c1 ZINC001569103530 992313996 /nfs/dbraw/zinc/31/39/96/992313996.db2.gz LFVQZWXEVGXBIK-ZDUSSCGKSA-N 1 0 246.354 2.231 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H](C)NC(=O)CC(C)=C(C)C ZINC001569132472 992326669 /nfs/dbraw/zinc/32/66/69/992326669.db2.gz IRNSSMSYIZNVSF-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(C)=O ZINC001569155107 992337574 /nfs/dbraw/zinc/33/75/74/992337574.db2.gz GVYKBHNTFPYGHZ-UONOGXRCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]CCCN(C)C(=O)CC(C)(C)C ZINC001569182593 992339023 /nfs/dbraw/zinc/33/90/23/992339023.db2.gz HRHWETWNVQVBGW-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)/C(C)=C\C ZINC001569352439 992369465 /nfs/dbraw/zinc/36/94/65/992369465.db2.gz KNYDQXCBPKQGDZ-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)CCC(C)C)CC1 ZINC001569389654 992379520 /nfs/dbraw/zinc/37/95/20/992379520.db2.gz NQFOLHQOJFUDHX-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@H](C)C#N)cc1 ZINC001261566421 992389698 /nfs/dbraw/zinc/38/96/98/992389698.db2.gz HIMFPJWYRLKDOO-SNVBAGLBSA-N 1 0 216.288 2.091 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCCOC(C)(C)C)C1 ZINC001320898928 992394400 /nfs/dbraw/zinc/39/44/00/992394400.db2.gz OLBJVAMBCNNJKM-CYBMUJFWSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCC[NH+]1CC(N(C)C(=O)C[C@H](C)CC)C1 ZINC001569490350 992401579 /nfs/dbraw/zinc/40/15/79/992401579.db2.gz VTQKLLCBGHGQFS-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)CC)C1 ZINC001569629812 992413193 /nfs/dbraw/zinc/41/31/93/992413193.db2.gz OSESAORXRNEMQA-GXTWGEPZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)C/C=C(/C)C=C)CCC1 ZINC001570113937 992441210 /nfs/dbraw/zinc/44/12/10/992441210.db2.gz NRPSOMYFNSQDGT-QPEQYQDCSA-N 1 0 248.370 2.323 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001570440026 992468903 /nfs/dbraw/zinc/46/89/03/992468903.db2.gz HMQKQIGJERMXNW-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](CCC)[C@@H](C)C1 ZINC001570430204 992469099 /nfs/dbraw/zinc/46/90/99/992469099.db2.gz AFEITUXTFAGDHI-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)C(CC)CC ZINC001570453859 992471360 /nfs/dbraw/zinc/47/13/60/992471360.db2.gz DLTILLJYUQTFFI-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCN(C(=O)CCCC[NH3+])c1ccccc1 ZINC001573310464 992471677 /nfs/dbraw/zinc/47/16/77/992471677.db2.gz KRJJWHAVEQOPST-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO C=CCC[NH2+]CC1CC(NC(=O)C2=CCCC2)C1 ZINC001570559477 992479919 /nfs/dbraw/zinc/47/99/19/992479919.db2.gz QESNAGICRWFKQZ-UHFFFAOYSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)/C(C)=C\CC ZINC001570590989 992485148 /nfs/dbraw/zinc/48/51/48/992485148.db2.gz STYLXNVNYCJFLV-NRCZCXPTSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCC1(C)CC1 ZINC001570640790 992491776 /nfs/dbraw/zinc/49/17/76/992491776.db2.gz GESNMWGZWIOPRQ-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC(C)(C)CN(C)C(C)=O ZINC001570667683 992495762 /nfs/dbraw/zinc/49/57/62/992495762.db2.gz SMPBVZVVIGZBNO-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC/C=C\C[NH2+]CCC ZINC001321229958 992497154 /nfs/dbraw/zinc/49/71/54/992497154.db2.gz AYZXSDYXSHGLOD-QIAWRQBBSA-N 1 0 238.375 2.261 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cccc(CO)c1 ZINC001321241824 992500408 /nfs/dbraw/zinc/50/04/08/992500408.db2.gz SGBJEMOMNXOCAF-BXUZGUMPSA-N 1 0 235.327 2.031 20 30 BEEDRO C#CCCCCC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC001570706454 992509334 /nfs/dbraw/zinc/50/93/34/992509334.db2.gz OFLGLUWNHNMEGD-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ncccc1C ZINC001321300274 992511008 /nfs/dbraw/zinc/51/10/08/992511008.db2.gz RWVZSSJQZUHGQD-HIFRSBDPSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)C(C)C ZINC001570734175 992516963 /nfs/dbraw/zinc/51/69/63/992516963.db2.gz OPVKISGHRUDTKY-JSGCOSHPSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CC[NH2+][C@@H](CCN(C)C(=O)CC)C(C)C ZINC001570770714 992518991 /nfs/dbraw/zinc/51/89/91/992518991.db2.gz LTISRWBEBBOFOE-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)C(C)=C2CCC2)C1 ZINC001570839139 992523624 /nfs/dbraw/zinc/52/36/24/992523624.db2.gz GUFHZYIYLJZUBL-GFCCVEGCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(F)F ZINC001321441621 992536877 /nfs/dbraw/zinc/53/68/77/992536877.db2.gz MTXQNBKXRIBAOL-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)CC ZINC001571402711 992549590 /nfs/dbraw/zinc/54/95/90/992549590.db2.gz BOMLNNMPNLCDDF-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](F)CC ZINC001571400037 992550623 /nfs/dbraw/zinc/55/06/23/992550623.db2.gz 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ZINC001262558600 992913782 /nfs/dbraw/zinc/91/37/82/992913782.db2.gz KFMBQBPYQNPGNF-STQMWFEESA-N 1 0 242.326 2.218 20 30 BEEDRO C=C(CC(C)C)C(=O)NC1(C[NH3+])CCCCC1 ZINC001574849017 992923721 /nfs/dbraw/zinc/92/37/21/992923721.db2.gz HQIZLMVFWZGJJH-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(C)CCC(=O)N[C@]1(C[NH3+])CCCC[C@H]1C ZINC001574835418 992924615 /nfs/dbraw/zinc/92/46/15/992924615.db2.gz NWBKJGUJUQVHJT-OCCSQVGLSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001574848603 992924896 /nfs/dbraw/zinc/92/48/96/992924896.db2.gz BHXIUFNVEPPFFO-CYBMUJFWSA-N 1 0 238.375 2.095 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1=CCCCC1 ZINC001574852207 992928075 /nfs/dbraw/zinc/92/80/75/992928075.db2.gz QWBXLGJFNQOTGN-NSHDSACASA-N 1 0 242.750 2.073 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H]1CC(F)(F)CN1 ZINC001574872126 992933096 /nfs/dbraw/zinc/93/30/96/992933096.db2.gz GZKDMSRKOJJXPG-JTQLQIEISA-N 1 0 232.318 2.176 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@@H]1CCC[NH2+]CC1 ZINC001574872485 992933758 /nfs/dbraw/zinc/93/37/58/992933758.db2.gz MZXODUBCZNKNEA-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@]1(C(=O)NC[C@@H]2CC=CCC2)CCC[NH2+]1 ZINC001574892883 992937302 /nfs/dbraw/zinc/93/73/02/992937302.db2.gz LAQPDPUUAUPUCY-UKRRQHHQSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C1(C)CNC1 ZINC001574907527 992939851 /nfs/dbraw/zinc/93/98/51/992939851.db2.gz PQSBTLMMCADOAN-GFCCVEGCSA-N 1 0 210.365 2.463 20 30 BEEDRO C=CCCCCN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC001574907433 992940132 /nfs/dbraw/zinc/94/01/32/992940132.db2.gz LXAZRKZTMCDWTQ-KBPBESRZSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCCNC2)C1 ZINC001574900100 992940525 /nfs/dbraw/zinc/94/05/25/992940525.db2.gz PSWPZDVSDKIFCT-AVGNSLFASA-N 1 0 208.349 2.073 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)Nc1ncccc1CC ZINC001574907204 992941123 /nfs/dbraw/zinc/94/11/23/992941123.db2.gz CMVPLMUBAPTIGL-LBPRGKRZSA-N 1 0 247.342 2.266 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H]1[NH2+]CCC1(C)C ZINC001574901630 992941256 /nfs/dbraw/zinc/94/12/56/992941256.db2.gz ORAFOSKWRSGYFZ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@H](C)[NH2+]CCC ZINC001574901868 992943239 /nfs/dbraw/zinc/94/32/39/992943239.db2.gz VMHLTTMIJGMRPL-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCN(C(=O)C[NH2+]CC(C)C)c1ccccc1 ZINC001574921092 992944378 /nfs/dbraw/zinc/94/43/78/992944378.db2.gz SNMWANFFXICERV-UHFFFAOYSA-N 1 0 246.354 2.451 20 30 BEEDRO C=CCN(C(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1 ZINC001574920812 992945742 /nfs/dbraw/zinc/94/57/42/992945742.db2.gz KHRXQWJIQZRBAH-CYBMUJFWSA-N 1 0 244.338 2.204 20 30 BEEDRO C=CCCO[C@@H](C)C(=O)Oc1cccc(C[NH3+])c1 ZINC001574913340 992947316 /nfs/dbraw/zinc/94/73/16/992947316.db2.gz MYZOTHXGVXBMBG-NSHDSACASA-N 1 0 249.310 2.032 20 30 BEEDRO CC#CC[C@@H]([NH3+])C(=O)N1CCCC12CCCCC2 ZINC001574963825 992955745 /nfs/dbraw/zinc/95/57/45/992955745.db2.gz XYFZZLNTKNVZKJ-CYBMUJFWSA-N 1 0 248.370 2.052 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C[NH2+]C(C)(C)C ZINC001262655028 993006540 /nfs/dbraw/zinc/00/65/40/993006540.db2.gz ZLZFDPGBUZNINJ-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#Cc1ccc(NC[C@@H](C)C[NH+]2CCCC2)nc1 ZINC001262679680 993022179 /nfs/dbraw/zinc/02/21/79/993022179.db2.gz YFKAKLLJFWAFLN-CYBMUJFWSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C)nc1C ZINC001263096681 993110672 /nfs/dbraw/zinc/11/06/72/993110672.db2.gz YYDUFZBOGFRPTH-GFCCVEGCSA-N 1 0 247.342 2.321 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@H]1CC[NH3+] ZINC001263108211 993118663 /nfs/dbraw/zinc/11/86/63/993118663.db2.gz RAXJVSFWGGAUSU-OLZOCXBDSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC[C@H](C)C(C)(C)C ZINC001263144871 993132645 /nfs/dbraw/zinc/13/26/45/993132645.db2.gz BNYKVFPJENVQBU-NWDGAFQWSA-N 1 0 240.391 2.468 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC001263181128 993153378 /nfs/dbraw/zinc/15/33/78/993153378.db2.gz DVZHLRZKMSBKGR-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H]1CCCN1C(=O)C1=CCC[NH2+]CC1 ZINC001263277219 993205026 /nfs/dbraw/zinc/20/50/26/993205026.db2.gz AJWSCYGODQJANU-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCC[C@H]1CCCN1C(=O)C1=CCC[NH2+]CC1 ZINC001263277218 993205989 /nfs/dbraw/zinc/20/59/89/993205989.db2.gz AJWSCYGODQJANU-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO CC1(C)CCCN(CC[C@@H]2CCC[NH2+]C2)[C@H]1C#N ZINC001576433791 993305383 /nfs/dbraw/zinc/30/53/83/993305383.db2.gz KASMAYCLTYKAPZ-KBPBESRZSA-N 1 0 249.402 2.390 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1ccoc1 ZINC000380142415 993314431 /nfs/dbraw/zinc/31/44/31/993314431.db2.gz VXOVYEDSVQHYQA-JQWIXIFHSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000380180530 993320662 /nfs/dbraw/zinc/32/06/62/993320662.db2.gz LVYSOIWQVHBXQM-IJLUTSLNSA-N 1 0 229.389 2.307 20 30 BEEDRO C=C[C@H](CC)CC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001263533220 993368696 /nfs/dbraw/zinc/36/86/96/993368696.db2.gz DTQPFSWFLLFKCG-UPJWGTAASA-N 1 0 239.359 2.472 20 30 BEEDRO CC(C)([NH2+]CC1(C#N)CC1)C1CCOCC1 ZINC000381174393 993377829 /nfs/dbraw/zinc/37/78/29/993377829.db2.gz UXIGGRVZOVLGDO-UHFFFAOYSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cccc(C(=O)OC)c1 ZINC000381297648 993386253 /nfs/dbraw/zinc/38/62/53/993386253.db2.gz HCRKCKCRSHBCQC-SNVBAGLBSA-N 1 0 219.284 2.137 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000381501688 993403103 /nfs/dbraw/zinc/40/31/03/993403103.db2.gz GTRCZZGLIVVWJU-OAHLLOKOSA-N 1 0 243.354 2.154 20 30 BEEDRO C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[C@H]1C[NH3+] ZINC001576798700 993424854 /nfs/dbraw/zinc/42/48/54/993424854.db2.gz WEASHLVMFRROEG-SNPRPXQTSA-N 1 0 243.354 2.168 20 30 BEEDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1ccc(C#N)s1 ZINC001576880785 993441691 /nfs/dbraw/zinc/44/16/91/993441691.db2.gz IOSALUZTLBMKIY-GARJFASQSA-N 1 0 249.383 2.190 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)/C(C)=C\C)C1 ZINC001263829214 993539500 /nfs/dbraw/zinc/53/95/00/993539500.db2.gz HJCHFLCGVDZQKT-DENSFDLQSA-N 1 0 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ZINC001621442876 1170810299 /nfs/dbraw/zinc/81/02/99/1170810299.db2.gz UBHROROBPYPVII-FRRDWIJNSA-N 1 0 234.343 2.085 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC001621521662 1170835304 /nfs/dbraw/zinc/83/53/04/1170835304.db2.gz GVILHDYHGPAGJM-XUWVNRHRSA-N 1 0 248.414 2.498 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1C#N ZINC001621518725 1170835522 /nfs/dbraw/zinc/83/55/22/1170835522.db2.gz SVFXSWGBZZDPLQ-OAHLLOKOSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(C#N)cc1 ZINC000037748415 1170967772 /nfs/dbraw/zinc/96/77/72/1170967772.db2.gz FYUCYBVNECILAU-UHFFFAOYSA-N 1 0 240.310 2.188 20 30 BEEDRO C[C@@H](CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC001623979394 1170992452 /nfs/dbraw/zinc/99/24/52/1170992452.db2.gz UWLLWPXDLSLBNK-NSHDSACASA-N 1 0 245.326 2.085 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cc1ccco1 ZINC000038092591 1171018955 /nfs/dbraw/zinc/01/89/55/1171018955.db2.gz GXQUFEPHUWUXMW-MNOVXSKESA-N 1 0 206.289 2.492 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCCCC[C@H]1CC ZINC001629570407 1171325277 /nfs/dbraw/zinc/32/52/77/1171325277.db2.gz DTARTWDYIAZPPI-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C)CC1 ZINC001634291146 1171640881 /nfs/dbraw/zinc/64/08/81/1171640881.db2.gz FDVKCVDCNLFOHU-DGCLKSJQSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000186716319 136207643 /nfs/dbraw/zinc/20/76/43/136207643.db2.gz ZCTRHNSPKTUCKI-MWLCHTKSSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000186715000 136207705 /nfs/dbraw/zinc/20/77/05/136207705.db2.gz HKZVYVSEVSUOBY-GJZGRUSLSA-N 1 0 231.339 2.071 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000186714936 136207835 /nfs/dbraw/zinc/20/78/35/136207835.db2.gz ZFQNOYHDZOADFW-ZYHUDNBSSA-N 1 0 249.310 2.003 20 30 BEEDRO C[C@@H]1[C@H](C)N(C)CC[N@H+]1CCCC(C)(C)C#N ZINC000357047328 136208474 /nfs/dbraw/zinc/20/84/74/136208474.db2.gz VIDFHKLGOFYFHC-QWHCGFSZSA-N 1 0 237.391 2.341 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc(F)c1 ZINC000186688731 136207558 /nfs/dbraw/zinc/20/75/58/136207558.db2.gz XCDJBYYWLWHUII-ZWNOBZJWSA-N 1 0 223.291 2.413 20 30 BEEDRO N#CCC[N@H+](CCc1ccncc1)CC1CC1 ZINC000081044099 136211074 /nfs/dbraw/zinc/21/10/74/136211074.db2.gz URANGORWSSMBTR-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO CC[NH+](CC)CCN(CC#N)Cc1ccccc1 ZINC000080964385 136211365 /nfs/dbraw/zinc/21/13/65/136211365.db2.gz JYYPOULOGCKABT-UHFFFAOYSA-N 1 0 245.370 2.354 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccc(OC)cn1 ZINC000271921204 398144979 /nfs/dbraw/zinc/14/49/79/398144979.db2.gz KIURBIDFWKPHIE-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO CC#CCC[N@H+](CCCO)CC(C)(C)C ZINC000155607141 136213180 /nfs/dbraw/zinc/21/31/80/136213180.db2.gz MCBZMMOEGBZCBH-UHFFFAOYSA-N 1 0 211.349 2.130 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCc1cccs1 ZINC000649328167 398146142 /nfs/dbraw/zinc/14/61/42/398146142.db2.gz AJUCFEUKRFCMCH-GFCCVEGCSA-N 1 0 225.357 2.159 20 30 BEEDRO CO[C@H](C[NH2+]CCc1ccc(C#N)cc1)C1CC1 ZINC000602707997 343979592 /nfs/dbraw/zinc/97/95/92/343979592.db2.gz XLBYGBFHWOATOK-OAHLLOKOSA-N 1 0 244.338 2.115 20 30 BEEDRO C=CCCCC[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000274608944 398150318 /nfs/dbraw/zinc/15/03/18/398150318.db2.gz SKHVDEUFNZXMJT-UHFFFAOYSA-N 1 0 246.354 2.492 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000649340851 398157581 /nfs/dbraw/zinc/15/75/81/398157581.db2.gz AWJXPCIPGHRODR-UPJWGTAASA-N 1 0 209.333 2.045 20 30 BEEDRO Cc1cc(C[NH2+]CC2(O)CCCC2)ccc1C#N ZINC000331311159 178020388 /nfs/dbraw/zinc/02/03/88/178020388.db2.gz ZFADKBZANCOTKI-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)[C@H]2CCOC2)ccc1C#N ZINC000337216008 178038701 /nfs/dbraw/zinc/03/87/01/178038701.db2.gz HMBVELMQUXTJCY-DOMZBBRYSA-N 1 0 244.338 2.381 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOCC2CC2)C1 ZINC000336689395 136216689 /nfs/dbraw/zinc/21/66/89/136216689.db2.gz KBARXZGOIMRUNE-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C2CC2)C2CCC2)nn1 ZINC000424290315 398179488 /nfs/dbraw/zinc/17/94/88/398179488.db2.gz BKFLCQALKHNZAC-AWEZNQCLSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@@H](C)N[C@H](CCC)C(=O)OC ZINC000308955671 136217240 /nfs/dbraw/zinc/21/72/40/136217240.db2.gz QOBWQINKIWPSSE-GHMZBOCLSA-N 1 0 213.321 2.272 20 30 BEEDRO CCC#C[C@H](C)N(C)CC[NH+]1CCCCC1 ZINC000649889416 398165316 /nfs/dbraw/zinc/16/53/16/398165316.db2.gz XTPZOVXDTOXFGO-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO C=C(CC)CN(C)CC[NH+]1CCCCC1 ZINC000649888934 398166215 /nfs/dbraw/zinc/16/62/15/398166215.db2.gz MPWWGUKCSHJSDG-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCC1(C)C ZINC000309156056 136217786 /nfs/dbraw/zinc/21/77/86/136217786.db2.gz XKFIBDFHSAFKNF-RYUDHWBXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000336731124 136218010 /nfs/dbraw/zinc/21/80/10/136218010.db2.gz KNFIYAURIJXTSW-LLVKDONJSA-N 1 0 225.719 2.285 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCOC2CCCC2)C1 ZINC000336695196 398196063 /nfs/dbraw/zinc/19/60/63/398196063.db2.gz YUBZTQYJJLLAEC-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)C(C)(C)O ZINC000446802454 201695871 /nfs/dbraw/zinc/69/58/71/201695871.db2.gz GDDZLFDFRZRGFA-UPJWGTAASA-N 1 0 238.375 2.454 20 30 BEEDRO C[C@@H](CC#N)[NH2+][C@H]1CCCC12CCOCC2 ZINC000309367963 136218125 /nfs/dbraw/zinc/21/81/25/136218125.db2.gz BNOIVRBJCXPXJK-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[N@H+]1CCN(CC)[C@H](C)C1 ZINC000649396016 398197801 /nfs/dbraw/zinc/19/78/01/398197801.db2.gz OUTOFZLAOIAESG-CYBMUJFWSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1CC=C(C(F)(F)F)CC1 ZINC000649397296 398198888 /nfs/dbraw/zinc/19/88/88/398198888.db2.gz YDVKNHALYZVQTC-JTQLQIEISA-N 1 0 235.249 2.118 20 30 BEEDRO CO[C@](C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000309520900 136219032 /nfs/dbraw/zinc/21/90/32/136219032.db2.gz AOGAEXCOKUPJOG-CYZMBNFOSA-N 1 0 222.332 2.083 20 30 BEEDRO COCCC[N@H+](C)Cc1ccc(CC#N)cc1 ZINC000342695923 365556835 /nfs/dbraw/zinc/55/68/35/365556835.db2.gz GXDKUWQIOVOCEF-UHFFFAOYSA-N 1 0 232.327 2.221 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@H](O)C(F)F ZINC000336739219 136219147 /nfs/dbraw/zinc/21/91/47/136219147.db2.gz SEUAINHGQZYDRV-VHSXEESVSA-N 1 0 221.291 2.337 20 30 BEEDRO CCC[C@H](CCO)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309620959 136219290 /nfs/dbraw/zinc/21/92/90/136219290.db2.gz DHIOUZIYEGWHMM-AGIUHOORSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)OCCC[N@H+](C)CC1(CC#N)CC1 ZINC000382801757 398202343 /nfs/dbraw/zinc/20/23/43/398202343.db2.gz SPTQGSGCWYNQKV-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000324384519 398202741 /nfs/dbraw/zinc/20/27/41/398202741.db2.gz XKWQTLNWYLSLEK-CQSZACIVSA-N 1 0 231.339 2.035 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000336751031 136220088 /nfs/dbraw/zinc/22/00/88/136220088.db2.gz GFWMSKSAYBJSSQ-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CCCCO1 ZINC000336753062 136220251 /nfs/dbraw/zinc/22/02/51/136220251.db2.gz WEQPYOUGQWBELX-UMSGYPCISA-N 1 0 222.332 2.226 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000310009263 136220269 /nfs/dbraw/zinc/22/02/69/136220269.db2.gz HZBSLVAYBODOMY-RAIGVLPGSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)C1CC1 ZINC000336736664 136218743 /nfs/dbraw/zinc/21/87/43/136218743.db2.gz PNVIBAUPVLYLCA-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H](c1ccncc1)[N@H+](C)CCCC#N ZINC000119793322 136220758 /nfs/dbraw/zinc/22/07/58/136220758.db2.gz VGLGVFKJGGHMFE-NSHDSACASA-N 1 0 203.289 2.378 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414129845 398218065 /nfs/dbraw/zinc/21/80/65/398218065.db2.gz VNKJUODKGBBVTM-SCRDCRAPSA-N 1 0 222.376 2.271 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccnc(C#N)c1 ZINC000061812014 398218307 /nfs/dbraw/zinc/21/83/07/398218307.db2.gz KMFFVCBLXXDYPQ-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(O)cc1 ZINC000163457708 538928594 /nfs/dbraw/zinc/92/85/94/538928594.db2.gz GMSVPCLUQRJDAT-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@]1(O)CCSC1 ZINC000122397343 136222229 /nfs/dbraw/zinc/22/22/29/136222229.db2.gz JNEFOKSUUMAIGX-NEPJUHHUSA-N 1 0 229.389 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCOC(C)(C)C ZINC000650030023 398223140 /nfs/dbraw/zinc/22/31/40/398223140.db2.gz VKCNLUPKYLXFDA-NEPJUHHUSA-N 1 0 227.348 2.125 20 30 BEEDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(C#N)n1 ZINC000308279722 178181991 /nfs/dbraw/zinc/18/19/91/178181991.db2.gz WZRQKOURWTZQFC-NWDGAFQWSA-N 1 0 244.342 2.156 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000341965290 136222585 /nfs/dbraw/zinc/22/25/85/136222585.db2.gz CWZUJMVSXKUCQS-GXTWGEPZSA-N 1 0 249.358 2.033 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000341965292 136222602 /nfs/dbraw/zinc/22/26/02/136222602.db2.gz CWZUJMVSXKUCQS-TZMCWYRMSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(OC)CC1 ZINC000421394291 192329767 /nfs/dbraw/zinc/32/97/67/192329767.db2.gz FZSQKUAZINEJHB-NWDGAFQWSA-N 1 0 226.364 2.203 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000124976539 323000329 /nfs/dbraw/zinc/00/03/29/323000329.db2.gz JOKGPHGOPFBWOJ-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO CC#CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190494329 398230460 /nfs/dbraw/zinc/23/04/60/398230460.db2.gz KHVFVDIQDSZTKR-UHFFFAOYSA-N 1 0 248.301 2.087 20 30 BEEDRO CC[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602437457 349524235 /nfs/dbraw/zinc/52/42/35/349524235.db2.gz YFOHEDDMIAXRPS-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC(CCO)CC1 ZINC000602438007 349524322 /nfs/dbraw/zinc/52/43/22/349524322.db2.gz MMQOUHHFLBFMGK-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO C[C@H](CCC#N)C[NH+]1CCC(CCO)CC1 ZINC000602438006 349524797 /nfs/dbraw/zinc/52/47/97/349524797.db2.gz MMQOUHHFLBFMGK-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO CCN(CC)[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602438455 349525247 /nfs/dbraw/zinc/52/52/47/349525247.db2.gz RAFQRNLZUQXPIH-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)CCC1CCCC1 ZINC000336773712 398233905 /nfs/dbraw/zinc/23/39/05/398233905.db2.gz ZAYOHLWYVIASLG-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)C[C@@H]1CCCO1 ZINC000602441653 349527133 /nfs/dbraw/zinc/52/71/33/349527133.db2.gz PSHQJUMZEFCZRC-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]C[C@H](C)OC)cc1 ZINC000191153348 136227676 /nfs/dbraw/zinc/22/76/76/136227676.db2.gz IGMGAHFHOAPCLG-ZDUSSCGKSA-N 1 0 247.338 2.213 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1F ZINC000335233497 343993315 /nfs/dbraw/zinc/99/33/15/343993315.db2.gz SXXBUUHMBOHNBI-JOCQHMNTSA-N 1 0 248.301 2.090 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@@H]1CCOC1 ZINC000337215645 398240693 /nfs/dbraw/zinc/24/06/93/398240693.db2.gz GVSPAIDJWUOICW-CMPLNLGQSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000292813816 136229009 /nfs/dbraw/zinc/22/90/09/136229009.db2.gz NJNMNGORQQJZEB-CQSZACIVSA-N 1 0 234.343 2.365 20 30 BEEDRO CCC[N@H+](C[C@@H](C)CCC#N)CC(C)(C)O ZINC000602465648 349538870 /nfs/dbraw/zinc/53/88/70/349538870.db2.gz RBUZHYDZDDVKNC-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO N#CCC[N@H+](CCC[C@H]1CCO1)CC1CC1 ZINC000602465609 349538881 /nfs/dbraw/zinc/53/88/81/349538881.db2.gz QHUPQEQIUQJDHB-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000602469926 349541279 /nfs/dbraw/zinc/54/12/79/349541279.db2.gz AVPYCQQNDHHYLP-GJZGRUSLSA-N 1 0 249.402 2.344 20 30 BEEDRO Cc1csc([C@H](C)C[NH2+]CCC#N)n1 ZINC000576698057 365659297 /nfs/dbraw/zinc/65/92/97/365659297.db2.gz PVDCXQTWDHABRE-MRVPVSSYSA-N 1 0 209.318 2.058 20 30 BEEDRO COC[C@@H](C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404012882 259310753 /nfs/dbraw/zinc/31/07/53/259310753.db2.gz QIKYLHQTBXZSOO-JTQLQIEISA-N 1 0 236.290 2.069 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCOC(C)(C)C1 ZINC000602471003 349541805 /nfs/dbraw/zinc/54/18/05/349541805.db2.gz BAXHAAJUASLSGY-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]([NH2+]CCc1cccc(C#N)c1)[C@H]1CCCO1 ZINC000343516455 136230777 /nfs/dbraw/zinc/23/07/77/136230777.db2.gz RIXFTJKGCCRQJG-IUODEOHRSA-N 1 0 244.338 2.258 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000576714824 365666818 /nfs/dbraw/zinc/66/68/18/365666818.db2.gz FJIXIMAQGNVKPW-GFCCVEGCSA-N 1 0 245.282 2.475 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCOC(C)(C)C1 ZINC000602471002 349541992 /nfs/dbraw/zinc/54/19/92/349541992.db2.gz BAXHAAJUASLSGY-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@](C)(C[N@H+](CCC#N)C(C)C)OC ZINC000602446851 349547035 /nfs/dbraw/zinc/54/70/35/349547035.db2.gz DVTXJGFXBLYGQN-LBPRGKRZSA-N 1 0 212.337 2.426 20 30 BEEDRO CCC[C@H](C[N@H+](CC)C[C@@H](C)C#N)OC ZINC000602447000 349547365 /nfs/dbraw/zinc/54/73/65/349547365.db2.gz KBWQMTSITDCFFQ-NWDGAFQWSA-N 1 0 212.337 2.283 20 30 BEEDRO CC[C@](C)(C[N@H+](CCC#N)C(C)C)OC ZINC000602446850 349547788 /nfs/dbraw/zinc/54/77/88/349547788.db2.gz DVTXJGFXBLYGQN-GFCCVEGCSA-N 1 0 212.337 2.426 20 30 BEEDRO CC[C@@H]1COCC[N@@H+]1C[C@H](C)CCC#N ZINC000602449371 349550912 /nfs/dbraw/zinc/55/09/12/349550912.db2.gz ZPZGOIHVTYNUPU-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000602450544 349551836 /nfs/dbraw/zinc/55/18/36/349551836.db2.gz AJJDSFGURLSFQR-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@@H](CCC#N)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000602450543 349552050 /nfs/dbraw/zinc/55/20/50/349552050.db2.gz AJJDSFGURLSFQR-GJZGRUSLSA-N 1 0 249.402 2.486 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](N2CCCCC2)C1 ZINC000602462272 349556851 /nfs/dbraw/zinc/55/68/51/349556851.db2.gz LLTLQZYZMAKZND-CABCVRRESA-N 1 0 249.402 2.486 20 30 BEEDRO Cc1ccc(C#N)c(N[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000050164298 178365721 /nfs/dbraw/zinc/36/57/21/178365721.db2.gz ORJAYUIWUQCWLT-WCQYABFASA-N 1 0 244.342 2.062 20 30 BEEDRO CCC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602501670 349561477 /nfs/dbraw/zinc/56/14/77/349561477.db2.gz BMAPSXHVNZHOLT-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)Cc1ccon1 ZINC000602478685 349564506 /nfs/dbraw/zinc/56/45/06/349564506.db2.gz SAPCBEVUYMLXBU-JTQLQIEISA-N 1 0 207.277 2.046 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCC[C@@H]1CCO1)C1CC1 ZINC000602484266 349567424 /nfs/dbraw/zinc/56/74/24/349567424.db2.gz NQUHVCULPPSJPD-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)OCCC[NH+]1CCC(C#N)CC1 ZINC000171500520 346825065 /nfs/dbraw/zinc/82/50/65/346825065.db2.gz MXWXHCFLZCJPSA-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1F ZINC000334741088 136232299 /nfs/dbraw/zinc/23/22/99/136232299.db2.gz ZQYGURDVODTXOU-ZWNOBZJWSA-N 1 0 243.285 2.479 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C2CC2)C1 ZINC000378757249 346825644 /nfs/dbraw/zinc/82/56/44/346825644.db2.gz SYULZOPJWOQEDJ-BQUFFADESA-N 1 0 204.317 2.314 20 30 BEEDRO Cc1cc(C[NH2+]C[C@H](C)CCC#N)no1 ZINC000602522778 349576090 /nfs/dbraw/zinc/57/60/90/349576090.db2.gz WUKUNIQWHUZUSC-SECBINFHSA-N 1 0 207.277 2.013 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC1(C)C ZINC000602526580 349577216 /nfs/dbraw/zinc/57/72/16/349577216.db2.gz LHTURQIIFFEFDE-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(O)CCCCC1 ZINC000602525245 349577474 /nfs/dbraw/zinc/57/74/74/349577474.db2.gz ITONONHRGVLTCK-GFCCVEGCSA-N 1 0 224.348 2.211 20 30 BEEDRO CCN(CC[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602525032 349577555 /nfs/dbraw/zinc/57/75/55/349577555.db2.gz DIFIZRZTISBTDA-UHFFFAOYSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccccc1O ZINC000602529316 349579100 /nfs/dbraw/zinc/57/91/00/349579100.db2.gz UMRRTWMOTDYWIC-LBPRGKRZSA-N 1 0 232.327 2.464 20 30 BEEDRO COCC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602529362 349579245 /nfs/dbraw/zinc/57/92/45/349579245.db2.gz URLTUJUHVDMWAH-VOMCLLRMSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC1CCC1 ZINC000602531710 349580401 /nfs/dbraw/zinc/58/04/01/349580401.db2.gz ZPWIFWYAHVOVRW-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO Cc1cc(C)n(CCC[NH2+]C[C@@H](C)CCC#N)n1 ZINC000602507407 349583454 /nfs/dbraw/zinc/58/34/54/349583454.db2.gz IPYNOPZPRDSSPG-LBPRGKRZSA-N 1 0 248.374 2.420 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN2CCCC[C@H]12 ZINC000602513745 349586144 /nfs/dbraw/zinc/58/61/44/349586144.db2.gz HZUBSLOPYBZKFL-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC[C@H](C)C1 ZINC000602514577 349586796 /nfs/dbraw/zinc/58/67/96/349586796.db2.gz LCCNYGGNDXNJQV-KGLIPLIRSA-N 1 0 237.391 2.248 20 30 BEEDRO C[C@H]1CCCN(CC[NH2+]C2CCC(C#N)CC2)C1 ZINC000602514533 349586825 /nfs/dbraw/zinc/58/68/25/349586825.db2.gz KQLLFFMHBKZXFJ-NFOMZHRRSA-N 1 0 249.402 2.390 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCN3CCCC[C@@H]23)CC1 ZINC000602514579 349586837 /nfs/dbraw/zinc/58/68/37/349586837.db2.gz NXLLOALMNJPUBU-WUCCLRPBSA-N 1 0 247.386 2.285 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000602544419 349588905 /nfs/dbraw/zinc/58/89/05/349588905.db2.gz AXZHBDYGTIRECP-ZFWWWQNUSA-N 1 0 246.354 2.424 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602546881 349589338 /nfs/dbraw/zinc/58/93/38/349589338.db2.gz MHKCZYPNOKNZQU-VXGBXAGGSA-N 1 0 212.337 2.067 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1cnn(C)c1 ZINC000602558753 349598447 /nfs/dbraw/zinc/59/84/47/349598447.db2.gz NXGJNWBCSPMFPB-XSRFYTQQSA-N 1 0 232.331 2.153 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000602539662 349604682 /nfs/dbraw/zinc/60/46/82/349604682.db2.gz GWFKLPPEXBLSPU-UHFFFAOYSA-N 1 0 244.338 2.351 20 30 BEEDRO C[C@@H](O)C[C@@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602560817 349599781 /nfs/dbraw/zinc/59/97/81/349599781.db2.gz UZJIQKWPDHENNI-OKZRHMCRSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602560819 349599825 /nfs/dbraw/zinc/59/98/25/349599825.db2.gz UZJIQKWPDHENNI-ZSVAQUKISA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCC1CC1 ZINC000602562922 349601719 /nfs/dbraw/zinc/60/17/19/349601719.db2.gz KHOQUEQAEDOJCZ-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](O)CC(C)(C)C[NH2+]C1CCC(C#N)CC1 ZINC000602550663 349592297 /nfs/dbraw/zinc/59/22/97/349592297.db2.gz MEQCOXWCMGVVFO-HIFPTAJRSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@H](COC)[NH2+]C1CCC(C#N)CC1 ZINC000602552064 349593661 /nfs/dbraw/zinc/59/36/61/349593661.db2.gz RYOUJTGDIIDEOC-MOENNCHZSA-N 1 0 210.321 2.083 20 30 BEEDRO CSCCC[NH2+]C1CCC(C#N)CC1 ZINC000602553302 349595187 /nfs/dbraw/zinc/59/51/87/349595187.db2.gz RWWFPBXZDLKMDM-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000602554303 349596047 /nfs/dbraw/zinc/59/60/47/349596047.db2.gz FVZQFKZEWIWEHR-FDYHWXHSSA-N 1 0 236.359 2.329 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000180489345 538958597 /nfs/dbraw/zinc/95/85/97/538958597.db2.gz BZWUEKKQKQNKDY-NSHDSACASA-N 1 0 248.374 2.019 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000602578225 349606656 /nfs/dbraw/zinc/60/66/56/349606656.db2.gz LTESXQZPEDUMMP-RVMXOQNASA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1ccc(F)cn1 ZINC000602578143 349606879 /nfs/dbraw/zinc/60/68/79/349606879.db2.gz VRPYAIPAPHNORS-JTQLQIEISA-N 1 0 221.279 2.250 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(C)CCCO1 ZINC000602578290 349606904 /nfs/dbraw/zinc/60/69/04/349606904.db2.gz XJBVMJBJINYOIQ-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602582758 349610339 /nfs/dbraw/zinc/61/03/39/349610339.db2.gz NWITXNLFTLYGIF-GNRIBBGQSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cccc(N(C)C)n1 ZINC000602583792 349610754 /nfs/dbraw/zinc/61/07/54/349610754.db2.gz YBDWVUWPQVUUIZ-LBPRGKRZSA-N 1 0 246.358 2.177 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](C)CCC#N ZINC000602583727 349611080 /nfs/dbraw/zinc/61/10/80/349611080.db2.gz SBPUREWWWPUIQF-RWMBFGLXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000602540320 349605414 /nfs/dbraw/zinc/60/54/14/349605414.db2.gz LDPABRHBWYZAJA-DZGCQCFKSA-N 1 0 246.354 2.119 20 30 BEEDRO CC[C@H](CC#N)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000600153294 342692016 /nfs/dbraw/zinc/69/20/16/342692016.db2.gz YBZZLYJSPXFPJS-VXGBXAGGSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@@]1(C#N)CCN(Cc2cnc(C3CC3)o2)C1 ZINC000600175295 342696260 /nfs/dbraw/zinc/69/62/60/342696260.db2.gz UGXDWEKUPVNENH-ZDUSSCGKSA-N 1 0 231.299 2.288 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1C#N ZINC000335603993 136235863 /nfs/dbraw/zinc/23/58/63/136235863.db2.gz BLUFHRIXIMJKGW-GXFFZTMASA-N 1 0 232.352 2.399 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2CO)C1 ZINC000613255111 361854749 /nfs/dbraw/zinc/85/47/49/361854749.db2.gz LGGQNNADFKBRJD-WFASDCNBSA-N 1 0 244.338 2.351 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000381843574 398276991 /nfs/dbraw/zinc/27/69/91/398276991.db2.gz VAPPBEYMDCMPDO-MRVPVSSYSA-N 1 0 225.254 2.102 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2ncccc2F)C1 ZINC000613255498 361858127 /nfs/dbraw/zinc/85/81/27/361858127.db2.gz MQDWVQOPEBKUHC-QWRGUYRKSA-N 1 0 233.290 2.393 20 30 BEEDRO N#CCCC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000399745034 342742334 /nfs/dbraw/zinc/74/23/34/342742334.db2.gz MTWWZCGGDQXXRP-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H](C)CC#N)cc1 ZINC000602591088 349614967 /nfs/dbraw/zinc/61/49/67/349614967.db2.gz FKTKBLVGPDTREQ-GHMZBOCLSA-N 1 0 245.326 2.080 20 30 BEEDRO C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H](C)CC#N)cc1 ZINC000602591104 349615065 /nfs/dbraw/zinc/61/50/65/349615065.db2.gz FKTKBLVGPDTREQ-WDEREUQCSA-N 1 0 245.326 2.080 20 30 BEEDRO C=CCCOCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000231819215 342739889 /nfs/dbraw/zinc/73/98/89/342739889.db2.gz AUTYGXJYHIAWFL-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)c1cncnc1C ZINC000566688851 323010796 /nfs/dbraw/zinc/01/07/96/323010796.db2.gz JSMDRWFVTOXUQL-SNVBAGLBSA-N 1 0 205.305 2.402 20 30 BEEDRO C=CC[NH+](CC=C)CCc1cncc(C)n1 ZINC000649486512 398283685 /nfs/dbraw/zinc/28/36/85/398283685.db2.gz OZZSLAJHFJMXPR-UHFFFAOYSA-N 1 0 217.316 2.002 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C1(C)C ZINC000602564995 349616935 /nfs/dbraw/zinc/61/69/35/349616935.db2.gz YJGLSGTXQBLYFZ-FIYWTHMPSA-N 1 0 236.359 2.472 20 30 BEEDRO CC[C@](C)(CCO)[NH2+]C[C@H](C)CCC#N ZINC000602565304 349617519 /nfs/dbraw/zinc/61/75/19/349617519.db2.gz AGURGEUYQGKWIQ-VXGBXAGGSA-N 1 0 212.337 2.067 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(OC)c(OC)c1 ZINC000607725219 342781924 /nfs/dbraw/zinc/78/19/24/342781924.db2.gz AZXKMMYPRCYZGN-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](C)CCC#N ZINC000602568181 349619627 /nfs/dbraw/zinc/61/96/27/349619627.db2.gz IZKFNAWRSDMKNK-GFCCVEGCSA-N 1 0 210.321 2.109 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000602568734 349620192 /nfs/dbraw/zinc/62/01/92/349620192.db2.gz LRRLCHCGRYICRC-AVGNSLFASA-N 1 0 224.348 2.067 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)cs1 ZINC000602568881 349620280 /nfs/dbraw/zinc/62/02/80/349620280.db2.gz OWMSOLYZTYGILU-MRVPVSSYSA-N 1 0 225.313 2.199 20 30 BEEDRO CS[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602571816 349621750 /nfs/dbraw/zinc/62/17/50/349621750.db2.gz OJPFVVFTEULDFZ-KPPDAEKUSA-N 1 0 212.362 2.410 20 30 BEEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]C1CC=CC1 ZINC000602570420 349620659 /nfs/dbraw/zinc/62/06/59/349620659.db2.gz UPIBCJFXGDDWIZ-LBPRGKRZSA-N 1 0 234.343 2.394 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]C1CCC(C#N)CC1 ZINC000602570227 349621014 /nfs/dbraw/zinc/62/10/14/349621014.db2.gz SVPXHRGQQKRVRY-RJZJGCCBSA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000602575014 349623749 /nfs/dbraw/zinc/62/37/49/349623749.db2.gz FGMGNYYHNPNXOA-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000602575013 349624054 /nfs/dbraw/zinc/62/40/54/349624054.db2.gz FGMGNYYHNPNXOA-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCCOC1 ZINC000355719408 398287984 /nfs/dbraw/zinc/28/79/84/398287984.db2.gz BOFCZCPOCYPCRC-DOMZBBRYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000355733891 398288064 /nfs/dbraw/zinc/28/80/64/398288064.db2.gz NGFJFTMXQIEHLJ-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO CCCC[C@@H](COC)[NH2+]CC(C)(C)C#N ZINC000336729607 342821256 /nfs/dbraw/zinc/82/12/56/342821256.db2.gz JEFKLFHSMNTJOA-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cnc(C)s1 ZINC000186692450 538974602 /nfs/dbraw/zinc/97/46/02/538974602.db2.gz QMOKDEGAKLOIAH-WCBMZHEXSA-N 1 0 226.345 2.039 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000186693112 538974760 /nfs/dbraw/zinc/97/47/60/538974760.db2.gz HQIMVLLRMKTMLV-GXTWGEPZSA-N 1 0 235.302 2.340 20 30 BEEDRO CO[C@@H](C)C[N@H+](Cc1cc(C#N)n(C)c1)C(C)C ZINC000361558193 398294399 /nfs/dbraw/zinc/29/43/99/398294399.db2.gz VILSDGSIFJXFBU-LBPRGKRZSA-N 1 0 249.358 2.142 20 30 BEEDRO CC(C)[C@@H]1C[N@H+](C[C@@H](C)CCC#N)CCO1 ZINC000602605448 349627367 /nfs/dbraw/zinc/62/73/67/349627367.db2.gz QYJMLVCAGIFUTK-STQMWFEESA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCOCC[NH2+]Cc1cccc(COC)c1 ZINC000383878379 539012496 /nfs/dbraw/zinc/01/24/96/539012496.db2.gz QZKVQLXGVHTPKY-UHFFFAOYSA-N 1 0 235.327 2.125 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cncc(C)c1 ZINC000390589373 539026413 /nfs/dbraw/zinc/02/64/13/539026413.db2.gz YYMSWTOLEIEBHE-GFCCVEGCSA-N 1 0 220.316 2.243 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000390646818 539026755 /nfs/dbraw/zinc/02/67/55/539026755.db2.gz OEEONNYETWIZQQ-QWHCGFSZSA-N 1 0 216.328 2.429 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@]1(C)CCCOC1 ZINC000602605844 349628333 /nfs/dbraw/zinc/62/83/33/349628333.db2.gz SWMISMZQBPJYII-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO COc1cc(C[C@@H](C)[NH2+]CC(C)(C)C#N)ccn1 ZINC000602606559 349628377 /nfs/dbraw/zinc/62/83/77/349628377.db2.gz AODPVMCRDQBNCJ-LLVKDONJSA-N 1 0 247.342 2.161 20 30 BEEDRO CCC#C[C@H](C)Sc1nc(C)cc(N)n1 ZINC000389645632 539016629 /nfs/dbraw/zinc/01/66/29/539016629.db2.gz SQNBDJBPCWOVRU-VIFPVBQESA-N 1 0 221.329 2.092 20 30 BEEDRO C[C@@]1(C#N)CCC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000602606727 349629154 /nfs/dbraw/zinc/62/91/54/349629154.db2.gz GIFJNXKTWOEOTL-OLZOCXBDSA-N 1 0 222.332 2.181 20 30 BEEDRO CCn1cc[nH+]c1NCc1ccc(C#N)s1 ZINC000414304139 398304002 /nfs/dbraw/zinc/30/40/02/398304002.db2.gz QJHWJSIURFKXKO-UHFFFAOYSA-N 1 0 232.312 2.448 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@@H](C)C#N)C1CCCCC1 ZINC000602608643 349631912 /nfs/dbraw/zinc/63/19/12/349631912.db2.gz UXEWTBCJGCZRII-AAEUAGOBSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1ccc(C#N)c(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000342837053 342876653 /nfs/dbraw/zinc/87/66/53/342876653.db2.gz VOTRFNUDUVPJNU-YPMHNXCESA-N 1 0 244.342 2.156 20 30 BEEDRO CCC[NH+]1CCC(NCC(C)(C)C#N)CC1 ZINC000164956408 342859977 /nfs/dbraw/zinc/85/99/77/342859977.db2.gz VCJUYVPOLDCFGQ-UHFFFAOYSA-N 1 0 223.364 2.000 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+]C1(CO)CCCC1 ZINC000165279997 342895728 /nfs/dbraw/zinc/89/57/28/342895728.db2.gz YLDNDPUSHHXPMI-UHFFFAOYSA-N 1 0 244.338 2.261 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000232783024 342880212 /nfs/dbraw/zinc/88/02/12/342880212.db2.gz HCFJVJVEHDESPP-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]([NH2+]CCC[C@H](C)O)c1cccc(C#N)c1 ZINC000228025750 398321779 /nfs/dbraw/zinc/32/17/79/398321779.db2.gz BOTQPYZMYHSTCW-NWDGAFQWSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCN1CC=CCC1 ZINC000309743622 398322555 /nfs/dbraw/zinc/32/25/55/398322555.db2.gz IMJNTBZUEVQRTC-ZIAGYGMSSA-N 1 0 222.376 2.439 20 30 BEEDRO C=CCCCCC[NH2+]Cc1ccnc(OC)n1 ZINC000584004784 342900330 /nfs/dbraw/zinc/90/03/30/342900330.db2.gz VLCXKSGZAFQXQG-UHFFFAOYSA-N 1 0 235.331 2.321 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602612222 349635795 /nfs/dbraw/zinc/63/57/95/349635795.db2.gz OMUJOSSZWPRQEX-QWHCGFSZSA-N 1 0 249.358 2.367 20 30 BEEDRO C=CCN(C)Cc1cc(C(=O)OC)cs1 ZINC000602622888 349641314 /nfs/dbraw/zinc/64/13/14/349641314.db2.gz NFQZLEMBUWKNPJ-UHFFFAOYSA-N 1 0 225.313 2.153 20 30 BEEDRO Cc1nnc([C@H](C)[NH2+]C[C@@H](C)CCC#N)s1 ZINC000602613743 349637431 /nfs/dbraw/zinc/63/74/31/349637431.db2.gz PQTRSDZYZGXWCW-IUCAKERBSA-N 1 0 238.360 2.437 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)n1)C1CC1 ZINC000602615688 349637860 /nfs/dbraw/zinc/63/78/60/349637860.db2.gz RRJCBPAMHRPIPI-UHFFFAOYSA-N 1 0 213.284 2.104 20 30 BEEDRO CO[C@H](C[NH2+]CC(C)(C)C#N)C1CCCC1 ZINC000602615031 349638277 /nfs/dbraw/zinc/63/82/77/349638277.db2.gz PICVVEWYSCDONC-GFCCVEGCSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000064129935 349639878 /nfs/dbraw/zinc/63/98/78/349639878.db2.gz JMJWVPPYPUTOAN-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)c1ccsc1 ZINC000602619066 349640388 /nfs/dbraw/zinc/64/03/88/349640388.db2.gz LCCUCIUSRIIMJC-PWSUYJOCSA-N 1 0 238.356 2.311 20 30 BEEDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000306154047 344009519 /nfs/dbraw/zinc/00/95/19/344009519.db2.gz BHPQMRGTOSIUFB-ZDCRXTMVSA-N 1 0 210.346 2.162 20 30 BEEDRO CC[C@@]1(CO)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602622685 349641261 /nfs/dbraw/zinc/64/12/61/349641261.db2.gz CNGIYDXYEMIQLL-UONOGXRCSA-N 1 0 238.375 2.411 20 30 BEEDRO CC[C@]1([NH2+]C[C@@H](C)CCC#N)CCOC1 ZINC000602631262 349648258 /nfs/dbraw/zinc/64/82/58/349648258.db2.gz PUTLVGNISIUEOY-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CC1(N(C)C)CCC1 ZINC000602631593 349648906 /nfs/dbraw/zinc/64/89/06/349648906.db2.gz ZWNXPGKNLMFUQN-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2(CCO)CCCC2)o1 ZINC000344732471 398328025 /nfs/dbraw/zinc/32/80/25/398328025.db2.gz UFMCKCCZGFSJSV-UHFFFAOYSA-N 1 0 248.326 2.184 20 30 BEEDRO COCC1(C[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602651469 349659223 /nfs/dbraw/zinc/65/92/23/349659223.db2.gz IETTWSTWKAWSOI-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164532348 398328792 /nfs/dbraw/zinc/32/87/92/398328792.db2.gz SPTVUMBAFDNMKU-SMDDNHRTSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000602651117 349659501 /nfs/dbraw/zinc/65/95/01/349659501.db2.gz FXHVCPDFKVOAPW-UWVGGRQHSA-N 1 0 232.274 2.240 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CSC1(C)C ZINC000602650150 349659656 /nfs/dbraw/zinc/65/96/56/349659656.db2.gz BMITZUCJVDNWKP-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000164534040 398328974 /nfs/dbraw/zinc/32/89/74/398328974.db2.gz IXXAJAAVGIECJH-BXUZGUMPSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000602653402 349660057 /nfs/dbraw/zinc/66/00/57/349660057.db2.gz ZUEWHBCEAPWTSQ-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000602653400 349660213 /nfs/dbraw/zinc/66/02/13/349660213.db2.gz ZUEWHBCEAPWTSQ-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@H](C)CCC#N)c1nncn1C ZINC000602652396 349660295 /nfs/dbraw/zinc/66/02/95/349660295.db2.gz YABUHMIVKBIDCD-VXGBXAGGSA-N 1 0 249.362 2.042 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000602652371 349660408 /nfs/dbraw/zinc/66/04/08/349660408.db2.gz CYUAMHOVYSIKLI-AGIUHOORSA-N 1 0 224.348 2.188 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H](C)N(CC)C[C@H]1C ZINC000351722588 136249784 /nfs/dbraw/zinc/24/97/84/136249784.db2.gz VURDPXFWFLULIP-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO COCCC1([NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602638583 349651882 /nfs/dbraw/zinc/65/18/82/349651882.db2.gz QFVISJWTNCUUAP-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000602654293 349661043 /nfs/dbraw/zinc/66/10/43/349661043.db2.gz KJWZDTXAXUPNTM-MNOVXSKESA-N 1 0 246.301 2.282 20 30 BEEDRO N#CC1(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000602642373 349654444 /nfs/dbraw/zinc/65/44/44/349654444.db2.gz KTQDRKSIUPODSH-AVGNSLFASA-N 1 0 246.354 2.227 20 30 BEEDRO C[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC1(F)F ZINC000602643242 349655244 /nfs/dbraw/zinc/65/52/44/349655244.db2.gz PAWQAHRLDGUKGP-BDAKNGLRSA-N 1 0 214.259 2.314 20 30 BEEDRO N#CC1CCC([NH2+]C[C@H]2CCSC2)CC1 ZINC000602643487 349655648 /nfs/dbraw/zinc/65/56/48/349655648.db2.gz LFXDUYUOQVZBET-MOENNCHZSA-N 1 0 224.373 2.411 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CC1)C1CCCCC1 ZINC000602644555 349657112 /nfs/dbraw/zinc/65/71/12/349657112.db2.gz YIYPFQMYOAXRRV-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@@H]1CC(F)F ZINC000602654294 349661239 /nfs/dbraw/zinc/66/12/39/349661239.db2.gz KJWZDTXAXUPNTM-QWRGUYRKSA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000602674863 349668275 /nfs/dbraw/zinc/66/82/75/349668275.db2.gz FFBLEOPAJWNADQ-FRRDWIJNSA-N 1 0 224.348 2.067 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000602674861 349668343 /nfs/dbraw/zinc/66/83/43/349668343.db2.gz FFBLEOPAJWNADQ-AGIUHOORSA-N 1 0 224.348 2.067 20 30 BEEDRO CC[C@@](C)(C[NH2+]C[C@@H](C)CCC#N)OC ZINC000602676454 349669087 /nfs/dbraw/zinc/66/90/87/349669087.db2.gz QCNITISEZJCXPV-RYUDHWBXSA-N 1 0 212.337 2.331 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000602677075 349670056 /nfs/dbraw/zinc/67/00/56/349670056.db2.gz QFLPFHGCULEXRV-OLZOCXBDSA-N 1 0 232.331 2.070 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000602676744 349670207 /nfs/dbraw/zinc/67/02/07/349670207.db2.gz VTYYTQWWQAHFKE-QWRGUYRKSA-N 1 0 233.315 2.378 20 30 BEEDRO CC[C@@H]([NH2+]C1CCC(C#N)CC1)C(C)(C)O ZINC000602678021 349670647 /nfs/dbraw/zinc/67/06/47/349670647.db2.gz ZSBCBWHEQCWDHN-HTAVTVPLSA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1CC[C@@H]1C ZINC000602656452 349661899 /nfs/dbraw/zinc/66/18/99/349661899.db2.gz UQFXAJDEDOIBQB-YNEHKIRRSA-N 1 0 236.359 2.473 20 30 BEEDRO N#CC1CCC(C[NH2+]CCC[C@H]2CCO2)CC1 ZINC000602657783 349662774 /nfs/dbraw/zinc/66/27/74/349662774.db2.gz SSWZCKYAOKPOPU-RUXDESIVSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602626947 349664515 /nfs/dbraw/zinc/66/45/15/349664515.db2.gz NUCXTYJIIMPURE-UHFFFAOYSA-N 1 0 236.315 2.118 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CC(C)(C)O ZINC000602678028 349670936 /nfs/dbraw/zinc/67/09/36/349670936.db2.gz AAGJGVXJUDUQNN-GHMZBOCLSA-N 1 0 212.337 2.065 20 30 BEEDRO COCC1(C[NH2+][C@H]2CC[C@@H](CC#N)C2)CCC1 ZINC000602678555 349670981 /nfs/dbraw/zinc/67/09/81/349670981.db2.gz GDOCLOMVMKOQEE-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000602673134 349666516 /nfs/dbraw/zinc/66/65/16/349666516.db2.gz IOCJGBPRKDCXCA-UHFFFAOYSA-N 1 0 220.316 2.005 20 30 BEEDRO CC(F)(F)C[NH2+]C1CCC(C#N)CC1 ZINC000602673123 349666585 /nfs/dbraw/zinc/66/65/85/349666585.db2.gz CCIWXGBIKBWVFU-UHFFFAOYSA-N 1 0 202.248 2.314 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)[C@H]1CCOC1 ZINC000602673639 349667666 /nfs/dbraw/zinc/66/76/66/349667666.db2.gz AFJQCGDFAHHIKO-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC000602685863 349677123 /nfs/dbraw/zinc/67/71/23/349677123.db2.gz SENIYJDBXPTLJK-TUUUFIMRSA-N 1 0 220.316 2.002 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](CCCO)C1 ZINC000602685758 349677169 /nfs/dbraw/zinc/67/71/69/349677169.db2.gz KWIQRQZWSBKAAH-OLZOCXBDSA-N 1 0 224.348 2.021 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(CF)CCOCC1 ZINC000602686026 349677263 /nfs/dbraw/zinc/67/72/63/349677263.db2.gz VARRWEBMZSPAMF-GFCCVEGCSA-N 1 0 242.338 2.282 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]1C[C@H](C)CCC#N ZINC000602685515 349677305 /nfs/dbraw/zinc/67/73/05/349677305.db2.gz IHJIPNUMMSQJHI-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]C1CCC(C#N)CC1 ZINC000602678650 349671782 /nfs/dbraw/zinc/67/17/82/349671782.db2.gz MUZQEBBUJKQPOH-HIFPTAJRSA-N 1 0 224.348 2.209 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602679145 349671800 /nfs/dbraw/zinc/67/18/00/349671800.db2.gz CERKYRHEIPTAPF-VXGBXAGGSA-N 1 0 234.347 2.493 20 30 BEEDRO CCn1cc([C@H](C)[NH2+]C[C@H](C)CCC#N)cn1 ZINC000602679142 349671911 /nfs/dbraw/zinc/67/19/11/349671911.db2.gz CERKYRHEIPTAPF-NEPJUHHUSA-N 1 0 234.347 2.493 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccns2)C1 ZINC000602678966 349671968 /nfs/dbraw/zinc/67/19/68/349671968.db2.gz GXNUQDDOTNRZIF-UWVGGRQHSA-N 1 0 221.329 2.315 20 30 BEEDRO COc1cccnc1C[NH2+]C[C@H](C)CCC#N ZINC000602680002 349672822 /nfs/dbraw/zinc/67/28/22/349672822.db2.gz CDNUEVFKIFFJRS-LLVKDONJSA-N 1 0 233.315 2.120 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000602681238 349673394 /nfs/dbraw/zinc/67/33/94/349673394.db2.gz NEIBNKQCCSYUES-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]CCC[C@@H]2CCO2)C1 ZINC000602680547 349673553 /nfs/dbraw/zinc/67/35/53/349673553.db2.gz PFBUJZOBLRJRSL-RWMBFGLXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(C)CCN1CCOC[C@H]1c1c(C)n[nH]c1C ZINC000351752362 136251379 /nfs/dbraw/zinc/25/13/79/136251379.db2.gz QOVGQQGSTQONNS-ZDUSSCGKSA-N 1 0 249.358 2.366 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000602667509 349684857 /nfs/dbraw/zinc/68/48/57/349684857.db2.gz QBDBRZHEITUILU-CHWSQXEVSA-N 1 0 246.358 2.149 20 30 BEEDRO CC1(C)C[C@]1(C)[NH2+]Cc1cccc(C#N)n1 ZINC000602718281 349686837 /nfs/dbraw/zinc/68/68/37/349686837.db2.gz MGHSTLJHTOJRJY-ZDUSSCGKSA-N 1 0 215.300 2.231 20 30 BEEDRO CO[C@@](C)(C[N@@H+]1CC[C@](C)(C#N)C1)C1CC1 ZINC000602718933 349687633 /nfs/dbraw/zinc/68/76/33/349687633.db2.gz UEBZWSSCSKFATE-OLZOCXBDSA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)C[C@@H](C)CCC#N)C1 ZINC000602663218 349683103 /nfs/dbraw/zinc/68/31/03/349683103.db2.gz QWQGGAHWCVOKSI-SDDRHHMPSA-N 1 0 210.321 2.035 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)C[C@H](C)CCC#N)C1 ZINC000602663219 349683276 /nfs/dbraw/zinc/68/32/76/349683276.db2.gz QWQGGAHWCVOKSI-UTUOFQBUSA-N 1 0 210.321 2.035 20 30 BEEDRO CCC[C@]1([NH2+]C[C@@H](C)CCC#N)CCOC1 ZINC000602664868 349683603 /nfs/dbraw/zinc/68/36/03/349683603.db2.gz WEOCHNNVDXZWBV-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO CCCC[N@H+](CCCO)C[C@@H](C)CCC#N ZINC000602664336 349683768 /nfs/dbraw/zinc/68/37/68/349683768.db2.gz UUHVWKWKNUJVKG-ZDUSSCGKSA-N 1 0 226.364 2.411 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CC1(F)F ZINC000602692782 349689610 /nfs/dbraw/zinc/68/96/10/349689610.db2.gz BCCDQKCETFYCAF-AXTSPUMRSA-N 1 0 214.259 2.312 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCc2c(cnn2C)C1 ZINC000602692513 349689874 /nfs/dbraw/zinc/68/98/74/349689874.db2.gz AGMGVDMCWBQBNL-GFCCVEGCSA-N 1 0 246.358 2.108 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@H]1CC12CC2 ZINC000602692728 349689931 /nfs/dbraw/zinc/68/99/31/349689931.db2.gz AMRVJICCUWQDTA-NEPJUHHUSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000602694317 349690669 /nfs/dbraw/zinc/69/06/69/349690669.db2.gz ZWWPYDHIRGXSTM-YIYPIFLZSA-N 1 0 248.370 2.473 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)c1csnn1 ZINC000602694080 349690820 /nfs/dbraw/zinc/69/08/20/349690820.db2.gz QHGXFQKHDDGQKK-IUCAKERBSA-N 1 0 224.333 2.129 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000602695413 349691635 /nfs/dbraw/zinc/69/16/35/349691635.db2.gz SWERGXNIFRKROB-XQHKEYJVSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CS1 ZINC000602694906 349691730 /nfs/dbraw/zinc/69/17/30/349691730.db2.gz PHUBVGZWGPGIIN-MMWGEVLESA-N 1 0 210.346 2.162 20 30 BEEDRO CO[C@@](C)(C[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000602697084 349693243 /nfs/dbraw/zinc/69/32/43/349693243.db2.gz UPBKPWJMXJCZCD-LBPRGKRZSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CC1(F)F ZINC000602698775 349694667 /nfs/dbraw/zinc/69/46/67/349694667.db2.gz YRLRWDTVTQKCDL-BDAKNGLRSA-N 1 0 214.259 2.314 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@H]1CCCCO1 ZINC000602697753 349694704 /nfs/dbraw/zinc/69/47/04/349694704.db2.gz LRKSHIFANRTAHE-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000602692419 349689006 /nfs/dbraw/zinc/68/90/06/349689006.db2.gz HPAJOAKYGRNJAZ-FKZOYECMSA-N 1 0 236.359 2.209 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000602692421 349689009 /nfs/dbraw/zinc/68/90/09/349689009.db2.gz HPAJOAKYGRNJAZ-HHTDUIENSA-N 1 0 236.359 2.209 20 30 BEEDRO CC[C@H]([NH2+]C1CCC(C#N)CC1)[C@@H](O)C(C)C ZINC000602692172 349689098 /nfs/dbraw/zinc/68/90/98/349689098.db2.gz WAFQFFLNCIQBGB-HOAMVYINSA-N 1 0 238.375 2.454 20 30 BEEDRO COCC1([NH2+]C[C@H](C)CCC#N)CCCC1 ZINC000602704425 349698416 /nfs/dbraw/zinc/69/84/16/349698416.db2.gz DHNKZAFPRCSEQM-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CCC[C@@H](CC#N)C1)OC ZINC000602704993 349699215 /nfs/dbraw/zinc/69/92/15/349699215.db2.gz IZNVLSHXIYMDBS-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000602707830 349700606 /nfs/dbraw/zinc/70/06/06/349700606.db2.gz JSQOTMSSAFQYOJ-GXTWGEPZSA-N 1 0 236.359 2.163 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000352212054 536716497 /nfs/dbraw/zinc/71/64/97/536716497.db2.gz MXMIBYDKQNRDOD-UHFFFAOYSA-N 1 0 244.338 2.362 20 30 BEEDRO COC1CC([N@H+](C)Cc2ccc(C#N)s2)C1 ZINC000348709401 536717597 /nfs/dbraw/zinc/71/75/97/536717597.db2.gz MPPVVCZGXNNBNN-UHFFFAOYSA-N 1 0 236.340 2.229 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)C1 ZINC000602708611 349702220 /nfs/dbraw/zinc/70/22/20/349702220.db2.gz RAIUBMOUGBAHOF-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO COC1CC([N@H+](C)Cc2cccc(C#N)c2F)C1 ZINC000352195466 536717608 /nfs/dbraw/zinc/71/76/08/536717608.db2.gz QZAJWTAUISRVCU-UHFFFAOYSA-N 1 0 248.301 2.307 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC000602710239 349703397 /nfs/dbraw/zinc/70/33/97/349703397.db2.gz VYTOIFZFKRFYJY-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO N#CC1(C[NH2+]CCC[C@@H]2CCO2)CCCC1 ZINC000602700898 349696085 /nfs/dbraw/zinc/69/60/85/349696085.db2.gz XIPMKWIVKXPIRR-GFCCVEGCSA-N 1 0 222.332 2.229 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CCN1CCCCC1 ZINC000602704729 349698195 /nfs/dbraw/zinc/69/81/95/349698195.db2.gz HKPJHCBCKOGJQQ-AWEZNQCLSA-N 1 0 237.391 2.344 20 30 BEEDRO C=C(C)CCN1CC[NH+](CC(C)C)CC1 ZINC000351845318 136257135 /nfs/dbraw/zinc/25/71/35/136257135.db2.gz SKNCZTPGOXCHRI-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@](C)(C#N)C1)OC ZINC000602716783 349707236 /nfs/dbraw/zinc/70/72/36/349707236.db2.gz DIDWWASJHJDSHG-XQQFMLRXSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000602717665 349707896 /nfs/dbraw/zinc/70/78/96/349707896.db2.gz LYYPKHIFBFJMAG-XQQFMLRXSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(C)CC[N@@H+](CCC(=O)OC)CC(C)C ZINC000351859398 136258605 /nfs/dbraw/zinc/25/86/05/136258605.db2.gz OEUIRGPCTAFQQJ-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000602738208 349708789 /nfs/dbraw/zinc/70/87/89/349708789.db2.gz ARZUQNJRDXWCPC-WDEREUQCSA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1nccn1C ZINC000602721723 349713550 /nfs/dbraw/zinc/71/35/50/349713550.db2.gz KCEDBAGKVOZEJM-GHMZBOCLSA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CC(C)(C)F ZINC000602727374 349716684 /nfs/dbraw/zinc/71/66/84/349716684.db2.gz PMZRBMVSGVHHFG-LLVKDONJSA-N 1 0 242.338 2.423 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@@H](C(F)F)C2)CC1 ZINC000602795791 349737730 /nfs/dbraw/zinc/73/77/30/349737730.db2.gz CHIGJLVYDDUBCJ-SECBINFHSA-N 1 0 214.259 2.267 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000602798730 349739446 /nfs/dbraw/zinc/73/94/46/349739446.db2.gz GNSUMACZYGZYTK-OLZOCXBDSA-N 1 0 234.343 2.039 20 30 BEEDRO CC[N@@H+]1C[C@@H](C)N(CC2(CC#N)CC2)C[C@H]1C ZINC000602801374 349741865 /nfs/dbraw/zinc/74/18/65/349741865.db2.gz SFAITMINQMAQLD-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C[N@H+](C[C@@H]1CCCC[C@@H]1O)CC1(CC#N)CC1 ZINC000602802370 349742979 /nfs/dbraw/zinc/74/29/79/349742979.db2.gz QGTMZESYMVHIEK-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1OCC[C@H]1C[NH+]1CCC(CC#N)CC1 ZINC000602805330 349743633 /nfs/dbraw/zinc/74/36/33/349743633.db2.gz JLMRFXKVFPVZNC-AAEUAGOBSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCn2nccc21 ZINC000602750526 349730314 /nfs/dbraw/zinc/73/03/14/349730314.db2.gz JQSFLHHGVZRAJB-NEPJUHHUSA-N 1 0 232.331 2.247 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCn2nccc21 ZINC000602750532 349730399 /nfs/dbraw/zinc/73/03/99/349730399.db2.gz JQSFLHHGVZRAJB-VXGBXAGGSA-N 1 0 232.331 2.247 20 30 BEEDRO CO[C@@H](C)C[N@H+](CC1(CC#N)CC1)C(C)C ZINC000602781754 349746697 /nfs/dbraw/zinc/74/66/97/349746697.db2.gz VPYHXMGMOPURCJ-LBPRGKRZSA-N 1 0 224.348 2.426 20 30 BEEDRO CCC[C@]1(CO)CCC[N@@H+]1CC1(CC#N)CC1 ZINC000602818742 349759551 /nfs/dbraw/zinc/75/95/51/349759551.db2.gz OHPVHMHWEZRAFX-CQSZACIVSA-N 1 0 236.359 2.307 20 30 BEEDRO C[C@H]1C[N@H+](CC2(CC#N)CC2)C[C@H](C2CC2)O1 ZINC000602823024 349762775 /nfs/dbraw/zinc/76/27/75/349762775.db2.gz UFYRPJFIYIIHCE-WCQYABFASA-N 1 0 234.343 2.180 20 30 BEEDRO CC#CC[NH2+][C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000162598510 349764225 /nfs/dbraw/zinc/76/42/25/349764225.db2.gz BDWGSIBBXPFRIC-CHWSQXEVSA-N 1 0 221.344 2.337 20 30 BEEDRO CN(CCC[NH+]1CCCC1)CC1(CC#N)CC1 ZINC000602825865 349765352 /nfs/dbraw/zinc/76/53/52/349765352.db2.gz LEFWZGVOWOBHKN-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO Cc1noc([C@@H]2CCCN2CC2(CC#N)CC2)n1 ZINC000602827602 349765444 /nfs/dbraw/zinc/76/54/44/349765444.db2.gz LCYUUVMWAHZGDP-NSHDSACASA-N 1 0 246.314 2.209 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC1(CC#N)CC1 ZINC000602831331 349767260 /nfs/dbraw/zinc/76/72/60/349767260.db2.gz NPOAEUHSCJBAJE-KGLIPLIRSA-N 1 0 247.386 2.239 20 30 BEEDRO CO[C@H](C)C[N@H+](CC1(CC#N)CC1)C(C)C ZINC000602781751 349747268 /nfs/dbraw/zinc/74/72/68/349747268.db2.gz VPYHXMGMOPURCJ-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1OCC[C@H]1CN(CC#N)C1CCCC1 ZINC000602780815 349747551 /nfs/dbraw/zinc/74/75/51/349747551.db2.gz SEEKAUQBCCJHJD-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1F ZINC000162568497 349752274 /nfs/dbraw/zinc/75/22/74/349752274.db2.gz KTISONVVBQNBDI-MNOVXSKESA-N 1 0 205.276 2.368 20 30 BEEDRO C[C@H](CO)[N@H+](CC1(CC#N)CC1)C1CCCC1 ZINC000602813501 349756554 /nfs/dbraw/zinc/75/65/54/349756554.db2.gz HAVDYGYFKGQFGP-GFCCVEGCSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](CO)[N@H+](CC1(CC#N)CC1)C1CCCC1 ZINC000602813502 349756958 /nfs/dbraw/zinc/75/69/58/349756958.db2.gz HAVDYGYFKGQFGP-LBPRGKRZSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC1(CC#N)CC1 ZINC000602815428 349757396 /nfs/dbraw/zinc/75/73/96/349757396.db2.gz LUYVOACEAYGHQR-AGIUHOORSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC1(CC#N)CC1 ZINC000602830701 349767637 /nfs/dbraw/zinc/76/76/37/349767637.db2.gz VTLZFTQFNIITBG-KBPBESRZSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@H](CC#N)N[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000602861765 349773374 /nfs/dbraw/zinc/77/33/74/349773374.db2.gz ISEZXIZEXZCDLN-ZJUUUORDSA-N 1 0 249.289 2.044 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000329800320 136263218 /nfs/dbraw/zinc/26/32/18/136263218.db2.gz IJDUXZCTDZPOIO-PWSUYJOCSA-N 1 0 247.342 2.119 20 30 BEEDRO N#CCC1(C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000602841200 349779321 /nfs/dbraw/zinc/77/93/21/349779321.db2.gz NKJMXRKSOBEDFP-KGLIPLIRSA-N 1 0 248.370 2.067 20 30 BEEDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000602808011 349770775 /nfs/dbraw/zinc/77/07/75/349770775.db2.gz YCUXOHFMRZIPPP-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H](OC(F)F)C2)CC1 ZINC000602807914 349770995 /nfs/dbraw/zinc/77/09/95/349770995.db2.gz UVKXYSDLKDFFEB-SNVBAGLBSA-N 1 0 244.285 2.384 20 30 BEEDRO CC#CC[NH+]1C[C@@H](C)C(F)(F)[C@H](C)C1 ZINC000625651509 344025017 /nfs/dbraw/zinc/02/50/17/344025017.db2.gz VHSVLTYTFKVQNQ-NXEZZACHSA-N 1 0 201.260 2.233 20 30 BEEDRO C[C@H]1C[NH+](CCC2CCCC2)C[C@H](C)N1CC#N ZINC000602855525 349788043 /nfs/dbraw/zinc/78/80/43/349788043.db2.gz 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/nfs/dbraw/zinc/79/18/20/349791820.db2.gz CMMQYANVXBMPBR-CYBMUJFWSA-N 1 0 234.343 2.181 20 30 BEEDRO CCC[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849427 349785029 /nfs/dbraw/zinc/78/50/29/349785029.db2.gz LFBNLIMSTXLXPW-UPJWGTAASA-N 1 0 223.364 2.093 20 30 BEEDRO N#Cc1ccc(OCCC2CC[NH2+]CC2)cc1F ZINC000236253295 343088675 /nfs/dbraw/zinc/08/86/75/343088675.db2.gz VXZQPFQJMJDNOR-UHFFFAOYSA-N 1 0 248.301 2.466 20 30 BEEDRO C=C(C)C[N@H+](C)CCC(=O)Nc1ccc(C)cn1 ZINC000447294490 201712199 /nfs/dbraw/zinc/71/21/99/201712199.db2.gz GEWZUOGVLFSKFR-UHFFFAOYSA-N 1 0 247.342 2.227 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C1CCN(C(C)=O)CC1 ZINC000359920361 136267717 /nfs/dbraw/zinc/26/77/17/136267717.db2.gz YWXZNKPCTPOPKF-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO Cc1ccc(CN(C)C[C@@H](C)C#N)c(C)n1 ZINC000360063678 136268272 /nfs/dbraw/zinc/26/82/72/136268272.db2.gz MYHYAUCCPBSZDY-JTQLQIEISA-N 1 0 217.316 2.290 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]CC1(OC)CCCCC1 ZINC000359696738 136267401 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136291950 /nfs/dbraw/zinc/29/19/50/136291950.db2.gz JJMPIJBFGJMRGX-UHFFFAOYSA-N 1 0 221.348 2.211 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)N1CCCCC1 ZINC000120106030 136292184 /nfs/dbraw/zinc/29/21/84/136292184.db2.gz UGVDVXONMQTION-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(OCC#N)cc1 ZINC000275197026 136285660 /nfs/dbraw/zinc/28/56/60/136285660.db2.gz PWVHDVLORGIMFM-UHFFFAOYSA-N 1 0 216.284 2.207 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000282473350 136286432 /nfs/dbraw/zinc/28/64/32/136286432.db2.gz WLRZYTPPWSASAA-UHFFFAOYSA-N 1 0 216.284 2.185 20 30 BEEDRO CCCCNC(=[NH2+])NCCCc1cccc(C)n1 ZINC000285028234 136287596 /nfs/dbraw/zinc/28/75/96/136287596.db2.gz JRHKDSNJJQNIDI-UHFFFAOYSA-N 1 0 248.374 2.027 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621373938 343321447 /nfs/dbraw/zinc/32/14/47/343321447.db2.gz QXZFRHBAEMGOAG-CHWSQXEVSA-N 1 0 211.349 2.293 20 30 BEEDRO N#CC1(F)CC[NH+](C[C@H]2CCSC2)CC1 ZINC000348715817 136294189 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/nfs/dbraw/zinc/80/78/50/349807850.db2.gz AFXQKZRCCQEBEF-GFCCVEGCSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)(C)C[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000609317305 343414842 /nfs/dbraw/zinc/41/48/42/343414842.db2.gz SPXPZGZLYPHHSW-UHFFFAOYSA-N 1 0 246.354 2.399 20 30 BEEDRO N#CCCN1CCCc2sccc2C1 ZINC000609322819 343415972 /nfs/dbraw/zinc/41/59/72/343415972.db2.gz MNEUKYJOKOTJQG-UHFFFAOYSA-N 1 0 206.314 2.410 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000349345773 136342878 /nfs/dbraw/zinc/34/28/78/136342878.db2.gz WMRZYBGACIFVOB-MRVWCRGKSA-N 1 0 229.327 2.294 20 30 BEEDRO C[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1O ZINC000349365469 136343108 /nfs/dbraw/zinc/34/31/08/136343108.db2.gz IBHROFSTENZJEW-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO N#CCC1(CN2Cc3ccc(O)cc3C2)CC1 ZINC000602916244 349808548 /nfs/dbraw/zinc/80/85/48/349808548.db2.gz MKLVQCDFJBCSND-UHFFFAOYSA-N 1 0 228.295 2.402 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H]2CCCC[C@@H]2C1 ZINC000053385546 1172027468 /nfs/dbraw/zinc/02/74/68/1172027468.db2.gz JCFANXZJSIJZJX-ZIAGYGMSSA-N 1 0 222.376 2.274 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)CC1(CC#N)CC1 ZINC000602916090 349808797 /nfs/dbraw/zinc/80/87/97/349808797.db2.gz FPADEGHAZTYUSB-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000349339223 136340694 /nfs/dbraw/zinc/34/06/94/136340694.db2.gz BZZVLOKIPOBEHS-OCCSQVGLSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000349339185 136342445 /nfs/dbraw/zinc/34/24/45/136342445.db2.gz BXZDLCZOMFYITL-RQJABVFESA-N 1 0 236.359 2.472 20 30 BEEDRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000349345774 136342609 /nfs/dbraw/zinc/34/26/09/136342609.db2.gz WMRZYBGACIFVOB-XBFCOCLRSA-N 1 0 229.327 2.294 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cc(F)ccc1C ZINC000350344227 136359843 /nfs/dbraw/zinc/35/98/43/136359843.db2.gz YRICIEKEUBYOEA-GFCCVEGCSA-N 1 0 237.318 2.408 20 30 BEEDRO C[C@@H]1C[C@H](CNC(=[NH2+])Nc2ccccc2)CCO1 ZINC000271240775 136375094 /nfs/dbraw/zinc/37/50/94/136375094.db2.gz DIFIMMJLWWLTFY-VXGBXAGGSA-N 1 0 247.342 2.228 20 30 BEEDRO Cc1cncc([C@H](C)[NH2+]CCCC#N)c1 ZINC000274399948 136375282 /nfs/dbraw/zinc/37/52/82/136375282.db2.gz QAGWVABZOSNISR-NSHDSACASA-N 1 0 203.289 2.344 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H]1CCOC1 ZINC000165500706 343487257 /nfs/dbraw/zinc/48/72/57/343487257.db2.gz BIBZPNKWHWAYLC-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CC)C1CCCCC1 ZINC000491122545 259363093 /nfs/dbraw/zinc/36/30/93/259363093.db2.gz WTLMFLPEOXXJJB-ZDUSSCGKSA-N 1 0 209.333 2.025 20 30 BEEDRO CCC#C[C@H](C)[NH2+]CC(CC)(CC)C(=O)OC ZINC000619166365 343468465 /nfs/dbraw/zinc/46/84/65/343468465.db2.gz BAQUVIVLKZMEAT-LBPRGKRZSA-N 1 0 239.359 2.357 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000165510003 343532060 /nfs/dbraw/zinc/53/20/60/343532060.db2.gz WOTYVRMJFLIOOM-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CC1CC[NH+]([C@H](C)c2nc(C)cc(=O)[nH]2)CC1 ZINC000192585277 365762425 /nfs/dbraw/zinc/76/24/25/365762425.db2.gz DVIXHYHNNHLVOD-LLVKDONJSA-N 1 0 247.342 2.450 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCCN(C)C2)ccc1C#N ZINC000618191997 343578935 /nfs/dbraw/zinc/57/89/35/343578935.db2.gz DHJQQXYHBJDZGZ-OAHLLOKOSA-N 1 0 243.354 2.051 20 30 BEEDRO CCOc1ccc(CN(CC)C[C@H](C)C#N)nc1 ZINC000083596381 343639240 /nfs/dbraw/zinc/63/92/40/343639240.db2.gz HXOYCIMSGPIANY-GFCCVEGCSA-N 1 0 247.342 2.462 20 30 BEEDRO CCOc1ccc(CN(CC)C[C@@H](C)C#N)nc1 ZINC000083596379 343639456 /nfs/dbraw/zinc/63/94/56/343639456.db2.gz HXOYCIMSGPIANY-LBPRGKRZSA-N 1 0 247.342 2.462 20 30 BEEDRO CCC1([NH+](C)C)CCN([C@@H](C)CCC#N)CC1 ZINC000602966835 349827257 /nfs/dbraw/zinc/82/72/57/349827257.db2.gz SJDOXCNSPSJWNP-ZDUSSCGKSA-N 1 0 237.391 2.485 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000123903390 343622873 /nfs/dbraw/zinc/62/28/73/343622873.db2.gz FWLSDNKZUOQHFM-OLZOCXBDSA-N 1 0 236.359 2.306 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(OCC)C1)C(C)(C)C ZINC000379999266 365789840 /nfs/dbraw/zinc/78/98/40/365789840.db2.gz LQGFXBQLIKMNNL-HTAVTVPLSA-N 1 0 209.333 2.191 20 30 BEEDRO CO[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602981787 349832842 /nfs/dbraw/zinc/83/28/42/349832842.db2.gz JRIVWBOHLJKQBE-YNEHKIRRSA-N 1 0 222.332 2.035 20 30 BEEDRO CCO[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000602982437 349834221 /nfs/dbraw/zinc/83/42/21/349834221.db2.gz SHIFONKIOKACOD-BFHYXJOUSA-N 1 0 236.359 2.426 20 30 BEEDRO CCC1([NH+](C)C)CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000602966866 349827833 /nfs/dbraw/zinc/82/78/33/349827833.db2.gz UERDGQGIIGMLFV-ZIAGYGMSSA-N 1 0 249.402 2.485 20 30 BEEDRO N#CCC1(C[N@@H+]2CCO[C@@H](C(F)F)CC2)CC1 ZINC000602973116 349828795 /nfs/dbraw/zinc/82/87/95/349828795.db2.gz VVHKTMITLNZEQC-SNVBAGLBSA-N 1 0 244.285 2.036 20 30 BEEDRO N#Cc1ccc(-c2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000071396601 343663907 /nfs/dbraw/zinc/66/39/07/343663907.db2.gz LZWUUWDGGLAXLZ-LLVKDONJSA-N 1 0 240.266 2.033 20 30 BEEDRO N#Cc1ccc(-c2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000071396600 343664108 /nfs/dbraw/zinc/66/41/08/343664108.db2.gz LZWUUWDGGLAXLZ-NSHDSACASA-N 1 0 240.266 2.033 20 30 BEEDRO CC[C@@H]1CCCC[N@@H+]1CCOCCC#N ZINC000338894282 343691844 /nfs/dbraw/zinc/69/18/44/343691844.db2.gz HAMUMDMQIIJMTN-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602979172 349843298 /nfs/dbraw/zinc/84/32/98/349843298.db2.gz AQOJEBKFWBSWAD-KGLIPLIRSA-N 1 0 246.358 2.206 20 30 BEEDRO Cc1nccn1CCC[N@@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000602979174 349843366 /nfs/dbraw/zinc/84/33/66/349843366.db2.gz AQOJEBKFWBSWAD-ZIAGYGMSSA-N 1 0 246.358 2.206 20 30 BEEDRO C[C@H]1CCC[N@H+](CCOCCC#N)[C@H]1C ZINC000339005074 343693376 /nfs/dbraw/zinc/69/33/76/343693376.db2.gz HLYOANPVAZYXRZ-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC(C)[C@H]1C[N@H+](CCCCC#N)CCCO1 ZINC000339821765 343703921 /nfs/dbraw/zinc/70/39/21/343703921.db2.gz MGIPAGCUDVLZGQ-CYBMUJFWSA-N 1 0 224.348 2.427 20 30 BEEDRO C[N@H+](CCCCC#N)[C@@H]1CCC[C@H]1C#N ZINC000602975849 349839977 /nfs/dbraw/zinc/83/99/77/349839977.db2.gz IBDXTNUCPDMURP-NWDGAFQWSA-N 1 0 205.305 2.304 20 30 BEEDRO CCCN1CC[C@H]([NH2+]CC(C)(C)CCC#N)C1 ZINC000389264426 343685636 /nfs/dbraw/zinc/68/56/36/343685636.db2.gz PJEQBKRVCGLDOD-ZDUSSCGKSA-N 1 0 237.391 2.390 20 30 BEEDRO COC(C)(C)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602979214 349844123 /nfs/dbraw/zinc/84/41/23/349844123.db2.gz BEIGCLKGBOJDTD-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1C[C@H](C[N@H+](C)[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000602980136 349845467 /nfs/dbraw/zinc/84/54/67/349845467.db2.gz MKBRSQHWUFRPDT-SYQHCUMBSA-N 1 0 236.359 2.426 20 30 BEEDRO CC[NH+](CC)CCCN(C)[C@@H]1CCC[C@H]1C#N ZINC000602980555 349846332 /nfs/dbraw/zinc/84/63/32/349846332.db2.gz RGICQDNUFRFGPY-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO Cc1ccnc(NCCC[NH+]2CCCC2)c1C#N ZINC000135076883 343731560 /nfs/dbraw/zinc/73/15/60/343731560.db2.gz HOQYYEDZEQZOJS-UHFFFAOYSA-N 1 0 244.342 2.160 20 30 BEEDRO C[C@H]1C[C@H](O)C[N@@H+]1CCCCC(C)(C)C#N ZINC000309122584 346969087 /nfs/dbraw/zinc/96/90/87/346969087.db2.gz PORANAURLPLGGW-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000584153507 343766198 /nfs/dbraw/zinc/76/61/98/343766198.db2.gz FAGRMEJRECPJFO-LLVKDONJSA-N 1 0 213.321 2.084 20 30 BEEDRO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000567684212 323059543 /nfs/dbraw/zinc/05/95/43/323059543.db2.gz DVBNBTCFRFBCKV-QJPTWQEYSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)n(C)n2)C1 ZINC000625699607 344038745 /nfs/dbraw/zinc/03/87/45/344038745.db2.gz AVIAPJXHCIQCJQ-GFCCVEGCSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000625699896 344038880 /nfs/dbraw/zinc/03/88/80/344038880.db2.gz DQPITSVADRTKOJ-OLZOCXBDSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@](C)(O)COC)C1 ZINC000651818835 537823743 /nfs/dbraw/zinc/82/37/43/537823743.db2.gz HIGITQJFEVUIDD-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](OC)C2CC2)C1 ZINC000625700688 344040512 /nfs/dbraw/zinc/04/05/12/344040512.db2.gz FIWMEGSGMNQFEN-DGCLKSJQSA-N 1 0 209.333 2.309 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000625700741 344040638 /nfs/dbraw/zinc/04/06/38/344040638.db2.gz KXGORXPYBCKFEM-ZDUSSCGKSA-N 1 0 233.359 2.251 20 30 BEEDRO C[C@@H]1COCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000334263782 343845402 /nfs/dbraw/zinc/84/54/02/343845402.db2.gz WQVBSYWKICKZSC-LBPRGKRZSA-N 1 0 230.311 2.027 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](O)CCOC(C)C)C1 ZINC000625700964 344041243 /nfs/dbraw/zinc/04/12/43/344041243.db2.gz FZGBTXIENWOBSN-KBPBESRZSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)COc1ccccc1C ZINC000381042336 343881154 /nfs/dbraw/zinc/88/11/54/343881154.db2.gz NIORSBKRMUUVGA-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO CN(CCCCC#N)Cc1ncc(Cl)n1C ZINC000179870263 347001101 /nfs/dbraw/zinc/00/11/01/347001101.db2.gz WJCSBHZBBGLLML-UHFFFAOYSA-N 1 0 240.738 2.199 20 30 BEEDRO CC1(C)COC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000334664967 343899410 /nfs/dbraw/zinc/89/94/10/343899410.db2.gz GLUALTBMSOAQRH-ZDUSSCGKSA-N 1 0 248.301 2.212 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)o1 ZINC000334678760 343901450 /nfs/dbraw/zinc/90/14/50/343901450.db2.gz GQTJNUUIQLDXEO-ZDUSSCGKSA-N 1 0 248.351 2.479 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@H](O)CC2)ccc1C#N ZINC000334711106 343901994 /nfs/dbraw/zinc/90/19/94/343901994.db2.gz RAXCASIVQCWUQO-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000634725163 343946216 /nfs/dbraw/zinc/94/62/16/343946216.db2.gz JAUOJTDXGVIZFM-SECBINFHSA-N 1 0 239.281 2.492 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000625701256 344041772 /nfs/dbraw/zinc/04/17/72/344041772.db2.gz IALJRTRISCKUDI-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCn2cc(Cl)cn2)C1 ZINC000625701348 344042018 /nfs/dbraw/zinc/04/20/18/344042018.db2.gz JHTKNEDDHDDXNW-LLVKDONJSA-N 1 0 239.750 2.435 20 30 BEEDRO C=CCCC[C@@H](C)n1cc(C[NH2+]CC)nn1 ZINC000641235043 362288918 /nfs/dbraw/zinc/28/89/18/362288918.db2.gz MEOLGKPGGRBOPR-LLVKDONJSA-N 1 0 222.336 2.305 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C)no2)C1 ZINC000625702539 344046478 /nfs/dbraw/zinc/04/64/78/344046478.db2.gz GXDPIZNNUXZLPM-NSHDSACASA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000625702956 344047670 /nfs/dbraw/zinc/04/76/70/344047670.db2.gz KFEXUPSFXOVLHX-GFCCVEGCSA-N 1 0 244.338 2.184 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnn(CC)c2)C1 ZINC000625703841 344048142 /nfs/dbraw/zinc/04/81/42/344048142.db2.gz TYSYCFLFMJKJCG-LBPRGKRZSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCc2cnn(CC)c2)C1 ZINC000625703819 344048333 /nfs/dbraw/zinc/04/83/33/344048333.db2.gz SZUILGATXAKPEZ-ZDUSSCGKSA-N 1 0 233.359 2.344 20 30 BEEDRO C=CC[C@H]1CC[N@H+](Cc2cc3n(n2)CCC3)C1 ZINC000625703217 344048357 /nfs/dbraw/zinc/04/83/57/344048357.db2.gz RKHNVOQWISUQIF-LBPRGKRZSA-N 1 0 231.343 2.227 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCO[C@H]2CC2(F)F)C1 ZINC000625703239 344048382 /nfs/dbraw/zinc/04/83/82/344048382.db2.gz RNSBDVGYMXJQOU-QWRGUYRKSA-N 1 0 231.286 2.309 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CCOCC(F)F)C1 ZINC000625703182 344048397 /nfs/dbraw/zinc/04/83/97/344048397.db2.gz RELIWTOXGDMHDU-JTQLQIEISA-N 1 0 219.275 2.166 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(OC)nc2C)C1 ZINC000625703836 344048423 /nfs/dbraw/zinc/04/84/23/344048423.db2.gz TWROMASSKVFMPD-GFCCVEGCSA-N 1 0 247.342 2.192 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2cn(CC3CC3)nn2)C1 ZINC000625701624 344052414 /nfs/dbraw/zinc/05/24/14/344052414.db2.gz KYSDFFOEUSVAJB-GFCCVEGCSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2)C1 ZINC000625702043 344052640 /nfs/dbraw/zinc/05/26/40/344052640.db2.gz MPFLCBCWVPFMDK-HZPDHXFCSA-N 1 0 245.366 2.488 20 30 BEEDRO C=CCN(CC1CCCCC1)C(=O)[C@H]([NH3+])CC ZINC000129847208 344078095 /nfs/dbraw/zinc/07/80/95/344078095.db2.gz DUNFETDGNUVUOF-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C[C@H]1CCCN(Cc2cccc(C#N)c2)[C@H]1C[NH3+] ZINC000251593347 344081255 /nfs/dbraw/zinc/08/12/55/344081255.db2.gz BKPYQIPAIATIKN-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccc(C)nc1 ZINC000155805963 344117655 /nfs/dbraw/zinc/11/76/55/344117655.db2.gz ZDPUXEIRLWPFJQ-UHFFFAOYSA-N 1 0 222.357 2.399 20 30 BEEDRO CC[N@H+](CCCO)CCCC(C)(C)C#N ZINC000128922784 344209218 /nfs/dbraw/zinc/20/92/18/344209218.db2.gz CFVIHSNCMMTAKK-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000634757480 344221066 /nfs/dbraw/zinc/22/10/66/344221066.db2.gz SWSHTVFFKFGSRO-QWRGUYRKSA-N 1 0 231.286 2.144 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634758678 344227312 /nfs/dbraw/zinc/22/73/12/344227312.db2.gz SXYDEEVHIYIBBV-SNVBAGLBSA-N 1 0 219.275 2.309 20 30 BEEDRO CCN1CC[N@H+](CCCC(C)(C)C#N)C[C@@H]1C ZINC000087608748 344235512 /nfs/dbraw/zinc/23/55/12/344235512.db2.gz QZHLGJBKHSYOKK-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000126851279 344184703 /nfs/dbraw/zinc/18/47/03/344184703.db2.gz WGXGNVMRUGHCRY-XQQFMLRXSA-N 1 0 210.365 2.413 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc(COC)o1 ZINC000128310944 344205952 /nfs/dbraw/zinc/20/59/52/344205952.db2.gz HLPMGMJGJPNERW-JTQLQIEISA-N 1 0 209.289 2.480 20 30 BEEDRO C=C(C[NH2+][C@H]1CCOC1)c1ccccc1 ZINC000131999085 344244721 /nfs/dbraw/zinc/24/47/21/344244721.db2.gz OWFKMSBOXMVIAN-ZDUSSCGKSA-N 1 0 203.285 2.078 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CC2(CC#N)CC2)CCO1 ZINC000215678639 349908072 /nfs/dbraw/zinc/90/80/72/349908072.db2.gz GRTOVXJMEASOLM-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccnc1Cl)C(C)C ZINC000289320647 344252007 /nfs/dbraw/zinc/25/20/07/344252007.db2.gz FPPKIXTVKKPRKD-LLVKDONJSA-N 1 0 222.719 2.482 20 30 BEEDRO C#C[C@H](C)[NH2+]C/C=C/c1ccccc1OC ZINC000289316133 344253398 /nfs/dbraw/zinc/25/33/98/344253398.db2.gz FEZHCOGUVUSNMY-CRALRDPISA-N 1 0 215.296 2.320 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000234797063 344265343 /nfs/dbraw/zinc/26/53/43/344265343.db2.gz QURMJTMHVXXSBA-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600733589 344364587 /nfs/dbraw/zinc/36/45/87/344364587.db2.gz ALARUFDAZYADEX-UPJWGTAASA-N 1 0 236.359 2.067 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600732056 344364712 /nfs/dbraw/zinc/36/47/12/344364712.db2.gz PRDZXEVDJGWNEZ-STQMWFEESA-N 1 0 236.359 2.376 20 30 BEEDRO CC1([NH2+]Cc2nc(C#N)cs2)CCC1 ZINC000306622955 344318889 /nfs/dbraw/zinc/31/88/89/344318889.db2.gz DJLJRUQZCONOOG-UHFFFAOYSA-N 1 0 207.302 2.047 20 30 BEEDRO CC(C)C[C@@H](CNc1cnccc1C#N)[NH+](C)C ZINC000094133724 344326311 /nfs/dbraw/zinc/32/63/11/344326311.db2.gz XUERPTZZLCPXNN-ZDUSSCGKSA-N 1 0 246.358 2.341 20 30 BEEDRO N#CC1(C[C@@H](O)C[NH2+]C2CCCCCC2)CC1 ZINC000600713164 344361527 /nfs/dbraw/zinc/36/15/27/344361527.db2.gz GMJJLQFEWJAPGU-CYBMUJFWSA-N 1 0 236.359 2.354 20 30 BEEDRO CC(C)(C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600715246 344362248 /nfs/dbraw/zinc/36/22/48/344362248.db2.gz ASXZQLRTCDIQLW-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[C@H](CC)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723596 344363327 /nfs/dbraw/zinc/36/33/27/344363327.db2.gz XQWRJUQIWCQAQQ-NWDGAFQWSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(C(=O)OC)cc1 ZINC000132488926 344301046 /nfs/dbraw/zinc/30/10/46/344301046.db2.gz ATJDKNNQJCJKKQ-UHFFFAOYSA-N 1 0 233.311 2.481 20 30 BEEDRO COCC[N@H+](CCC#N)[C@@H]1CC[C@H](C)C1 ZINC000093099880 344308685 /nfs/dbraw/zinc/30/86/85/344308685.db2.gz XDQKWITZWFNEQU-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCC23CC3)CC1 ZINC000600763101 344369562 /nfs/dbraw/zinc/36/95/62/344369562.db2.gz ZXMLBXISHYUPBZ-STQMWFEESA-N 1 0 248.370 2.211 20 30 BEEDRO C#CC[C@@H]([NH2+]CCCOC)c1ccccc1 ZINC000271658795 166205039 /nfs/dbraw/zinc/20/50/39/166205039.db2.gz CXWJYEOZGCWTLC-CQSZACIVSA-N 1 0 217.312 2.377 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000367613967 347048740 /nfs/dbraw/zinc/04/87/40/347048740.db2.gz GRTSWLGNFSWYKV-LLVKDONJSA-N 1 0 230.315 2.071 20 30 BEEDRO COc1cc(C[NH2+]Cc2ccoc2)ccc1C#N ZINC000234931148 344482843 /nfs/dbraw/zinc/48/28/43/344482843.db2.gz HEYIWYBXQYQJRO-UHFFFAOYSA-N 1 0 242.278 2.450 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)s1 ZINC000135496669 344483315 /nfs/dbraw/zinc/48/33/15/344483315.db2.gz UUIWYAQUSXLDPN-BDAKNGLRSA-N 1 0 206.314 2.365 20 30 BEEDRO CC[C@@H](C)[C@H](C[NH2+]CC1(CC#N)CC1)OC ZINC000381319448 344495421 /nfs/dbraw/zinc/49/54/21/344495421.db2.gz WBOMQQXYTVAHCR-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381345407 344497436 /nfs/dbraw/zinc/49/74/36/344497436.db2.gz YVJZLGVLRCRHFA-INTQDDNPSA-N 1 0 218.304 2.061 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)C1CCOCC1 ZINC000381471276 344510312 /nfs/dbraw/zinc/51/03/12/344510312.db2.gz MQOYXCBYEIRGNB-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C1CCOCC1 ZINC000381471278 344510529 /nfs/dbraw/zinc/51/05/29/344510529.db2.gz MQOYXCBYEIRGNB-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)(C)C#N ZINC000119725728 344527898 /nfs/dbraw/zinc/52/78/98/344527898.db2.gz HOHKOMBSEVRUDW-KGLIPLIRSA-N 1 0 249.402 2.485 20 30 BEEDRO C=CCC1([NH2+]Cc2nccc(N)n2)CCCCC1 ZINC000625934506 344573823 /nfs/dbraw/zinc/57/38/23/344573823.db2.gz PVUVGSFVVCVICC-UHFFFAOYSA-N 1 0 246.358 2.258 20 30 BEEDRO C[C@@H]1C[C@H](NCc2cc(C#N)cs2)CC[N@@H+]1C ZINC000093492697 362427482 /nfs/dbraw/zinc/42/74/82/362427482.db2.gz CPIAKABGGVTTSI-ZYHUDNBSSA-N 1 0 249.383 2.192 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccccc1N(C)C ZINC000491784171 259378047 /nfs/dbraw/zinc/37/80/47/259378047.db2.gz SBFKMVMCKVKJBT-GFCCVEGCSA-N 1 0 216.328 2.206 20 30 BEEDRO CO[C@H](CN[C@H](C)CC#N)c1ccccc1 ZINC000309439568 347062404 /nfs/dbraw/zinc/06/24/04/347062404.db2.gz IDFUIPJGSMTFAB-DGCLKSJQSA-N 1 0 218.300 2.266 20 30 BEEDRO C#CCn1ccc(C[N@@H+](CC)CC(C)(C)C)n1 ZINC000279364469 166207552 /nfs/dbraw/zinc/20/75/52/166207552.db2.gz HWNXMOQMCGDLQJ-UHFFFAOYSA-N 1 0 233.359 2.384 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2c(O)cccc2C1 ZINC000626027197 344679601 /nfs/dbraw/zinc/67/96/01/344679601.db2.gz OIPYACTZAQZWLP-CYBMUJFWSA-N 1 0 247.338 2.077 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000424780162 192074906 /nfs/dbraw/zinc/07/49/06/192074906.db2.gz VSEOTZFUYYFLHV-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO Cc1noc(C)c1CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000260116590 344710444 /nfs/dbraw/zinc/71/04/44/344710444.db2.gz QPMVEPBAYIYMAC-ZDUSSCGKSA-N 1 0 247.342 2.460 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358698212 344711134 /nfs/dbraw/zinc/71/11/34/344711134.db2.gz TVJPOCNEEOZFLW-SGMGOOAPSA-N 1 0 238.375 2.140 20 30 BEEDRO Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000260172430 344716639 /nfs/dbraw/zinc/71/66/39/344716639.db2.gz TZQZNBULYPNGJV-ZDUSSCGKSA-N 1 0 246.358 2.163 20 30 BEEDRO NC(COc1ccccc1)=NOC1CCCC1 ZINC000181873578 347076151 /nfs/dbraw/zinc/07/61/51/347076151.db2.gz LWGZKICPSPYJNV-UHFFFAOYSA-N 1 0 234.299 2.297 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCc2cccnc2)C1 ZINC000260285793 344807273 /nfs/dbraw/zinc/80/72/73/344807273.db2.gz YNGHOHOMPFYGNZ-CQSZACIVSA-N 1 0 229.327 2.250 20 30 BEEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NCC#N ZINC000118985100 344835497 /nfs/dbraw/zinc/83/54/97/344835497.db2.gz PROSUAFOKPPJCG-UHFFFAOYSA-N 1 0 231.343 2.010 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(CC)CCC[NH+](C)C ZINC000424802571 192078188 /nfs/dbraw/zinc/07/81/88/192078188.db2.gz ZDQJXQZIQMJGKS-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCC[NH2+][C@H](CC(N)=O)C1CCCCC1 ZINC000182074503 347083485 /nfs/dbraw/zinc/08/34/85/347083485.db2.gz QUARRLJLWISHAK-CYBMUJFWSA-N 1 0 238.375 2.367 20 30 BEEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1CCCOC1 ZINC000352185980 344853980 /nfs/dbraw/zinc/85/39/80/344853980.db2.gz HYUOKENMSRFLCH-OAHLLOKOSA-N 1 0 244.338 2.363 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000121599253 344930193 /nfs/dbraw/zinc/93/01/93/344930193.db2.gz RTQPPWYIVGBCJQ-LBPRGKRZSA-N 1 0 227.254 2.116 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[C@@H](O)CC)C1CC1 ZINC000121702100 344934347 /nfs/dbraw/zinc/93/43/47/344934347.db2.gz QQUJXHGSSAPIKD-STQMWFEESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCCC[N@@H+](CC(N)=O)Cc1ccccc1 ZINC000583422250 344935464 /nfs/dbraw/zinc/93/54/64/344935464.db2.gz YXESSFDXONJMCB-UHFFFAOYSA-N 1 0 246.354 2.330 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000153739439 344963261 /nfs/dbraw/zinc/96/32/61/344963261.db2.gz SZMWUBMNAJRTEB-OAHLLOKOSA-N 1 0 242.322 2.171 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000235608506 344951248 /nfs/dbraw/zinc/95/12/48/344951248.db2.gz KNEAJOASTGPUES-QMTHXVAHSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000309266418 534982742 /nfs/dbraw/zinc/98/27/42/534982742.db2.gz CGBIDIMDUWIYCC-NSHDSACASA-N 1 0 224.348 2.162 20 30 BEEDRO CC#CCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000155183542 345073471 /nfs/dbraw/zinc/07/34/71/345073471.db2.gz CCNZHKYOMTYOAA-UHFFFAOYSA-N 1 0 236.403 2.454 20 30 BEEDRO CC#CCCN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000155380608 345079762 /nfs/dbraw/zinc/07/97/62/345079762.db2.gz DWYCVXXMMMWWSP-HNNXBMFYSA-N 1 0 234.387 2.350 20 30 BEEDRO CC#CCCN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000155380511 345079910 /nfs/dbraw/zinc/07/99/10/345079910.db2.gz DWYCVXXMMMWWSP-OAHLLOKOSA-N 1 0 234.387 2.350 20 30 BEEDRO CC[N@@H+]1CCC[C@H]1CNc1nccc(C)c1C#N ZINC000124880984 345056706 /nfs/dbraw/zinc/05/67/06/345056706.db2.gz XMOKWCVNTUGXTC-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341998353 534988249 /nfs/dbraw/zinc/98/82/49/534988249.db2.gz XVYKYEYIJZXOPQ-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCOCC2(CCC2)C1 ZINC000336026186 534988436 /nfs/dbraw/zinc/98/84/36/534988436.db2.gz HEFPSPISSUJCCR-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000335284921 345181287 /nfs/dbraw/zinc/18/12/87/345181287.db2.gz NJEIGZATXNWFIT-WDEREUQCSA-N 1 0 219.288 2.073 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000563069830 323084556 /nfs/dbraw/zinc/08/45/56/323084556.db2.gz ZLDFCRLOPGSHGI-NWDGAFQWSA-N 1 0 239.359 2.472 20 30 BEEDRO Cc1n[nH]cc1C[NH2+]CC(C)(C)CCC#N ZINC000126959511 345148505 /nfs/dbraw/zinc/14/85/05/345148505.db2.gz QFOOFRGLDSQLIB-UHFFFAOYSA-N 1 0 220.320 2.138 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000531120365 345159789 /nfs/dbraw/zinc/15/97/89/345159789.db2.gz FRLBCIKOFOHHBE-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000227834872 534989357 /nfs/dbraw/zinc/98/93/57/534989357.db2.gz VFSBRHLQOMUWBD-VXGBXAGGSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1CNc1cccc(C)[nH+]1 ZINC000425276875 192086781 /nfs/dbraw/zinc/08/67/81/192086781.db2.gz FAMCPCRTYYICFG-RYUDHWBXSA-N 1 0 218.300 2.393 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CCC12CCOCC2 ZINC000367090751 345202163 /nfs/dbraw/zinc/20/21/63/345202163.db2.gz CFNQVTXFIMVIAC-LBPRGKRZSA-N 1 0 241.400 2.454 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)CC(O)(CC)CC ZINC000626111292 345270018 /nfs/dbraw/zinc/27/00/18/345270018.db2.gz KAWRRLNGBAXNSI-LBPRGKRZSA-N 1 0 211.349 2.271 20 30 BEEDRO COC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)C ZINC000381748777 345351990 /nfs/dbraw/zinc/35/19/90/345351990.db2.gz QPCWRYYWKSMCRG-AGIUHOORSA-N 1 0 224.348 2.329 20 30 BEEDRO C=CCC[C@@H](O)CN(CCC#N)Cc1ccco1 ZINC000133002454 345355699 /nfs/dbraw/zinc/35/56/99/345355699.db2.gz PQIORYPJPAREJH-CYBMUJFWSA-N 1 0 248.326 2.322 20 30 BEEDRO C=CCOCC[N@@H+]1CCCC2(CC2)CC1 ZINC000626115194 345327584 /nfs/dbraw/zinc/32/75/84/345327584.db2.gz JTBNAOODBKWMBT-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCN1CC[N@@H+](CCC=C)C[C@H]1C ZINC000132520684 345333924 /nfs/dbraw/zinc/33/39/24/345333924.db2.gz QULITSWFIICEOA-CYBMUJFWSA-N 1 0 208.349 2.145 20 30 BEEDRO Cc1c([C@@H](C)[NH2+]CCCCC#N)cnn1C ZINC000134557097 345415245 /nfs/dbraw/zinc/41/52/45/345415245.db2.gz XYMNLLHKWAFAQT-SNVBAGLBSA-N 1 0 220.320 2.073 20 30 BEEDRO Cc1c([C@H](C)[NH2+]CCCCC#N)cnn1C ZINC000134557120 345415338 /nfs/dbraw/zinc/41/53/38/345415338.db2.gz XYMNLLHKWAFAQT-JTQLQIEISA-N 1 0 220.320 2.073 20 30 BEEDRO CSCC[NH2+]Cc1ccc(C#N)cc1 ZINC000070184366 345454573 /nfs/dbraw/zinc/45/45/73/345454573.db2.gz KZXCRXOVNQCLFM-UHFFFAOYSA-N 1 0 206.314 2.011 20 30 BEEDRO CSCC[NH2+]Cc1ccc(C#N)cc1F ZINC000070184685 345455104 /nfs/dbraw/zinc/45/51/04/345455104.db2.gz LAIKHKQUGQNDKX-UHFFFAOYSA-N 1 0 224.304 2.150 20 30 BEEDRO CCC1([NH2+][C@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000335731192 345507401 /nfs/dbraw/zinc/50/74/01/345507401.db2.gz VYTHZLBWPJOTSK-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])c1cn([C@H]2CC[C@H](C#N)C2)nn1 ZINC000600973375 345547161 /nfs/dbraw/zinc/54/71/61/345547161.db2.gz NFKVGBPSGHHDDR-JBLDHEPKSA-N 1 0 247.346 2.189 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](C)CCN1CCCC1=O ZINC000091511541 345596292 /nfs/dbraw/zinc/59/62/92/345596292.db2.gz PVLWBXPEMWZUHE-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CNC(NC[C@]1(C)CCCc2ccccc21)=[NH+]C ZINC000091517406 345596465 /nfs/dbraw/zinc/59/64/65/345596465.db2.gz PQYOIRVCHUQJND-HNNXBMFYSA-N 1 0 245.370 2.075 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cnc3ccc(C#N)cn23)C1 ZINC000092471361 345623639 /nfs/dbraw/zinc/62/36/39/345623639.db2.gz KVJYJAPYPPZJLD-NSHDSACASA-N 1 0 240.310 2.048 20 30 BEEDRO [NH2+]=C(NCc1cccnc1)NC1CCCCCC1 ZINC000092276805 345626599 /nfs/dbraw/zinc/62/65/99/345626599.db2.gz QLSVYXQIGAEEBW-UHFFFAOYSA-N 1 0 246.358 2.209 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139974 345633051 /nfs/dbraw/zinc/63/30/51/345633051.db2.gz HLNPJNFXBZKSNR-YNEHKIRRSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C(C)CNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001639065077 1172062918 /nfs/dbraw/zinc/06/29/18/1172062918.db2.gz HKFIUMGTRCCVAW-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000435740262 537910304 /nfs/dbraw/zinc/91/03/04/537910304.db2.gz JHEPBXBERLTKMX-CABCVRRESA-N 1 0 246.354 2.461 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccccc1OCC ZINC000166360084 166217694 /nfs/dbraw/zinc/21/76/94/166217694.db2.gz WLJJMJKQTKAHMQ-NSHDSACASA-N 1 0 203.285 2.197 20 30 BEEDRO N#Cc1ccc(CC[NH+]2CCCC2)cc1 ZINC000034534866 345831177 /nfs/dbraw/zinc/83/11/77/345831177.db2.gz JAGIRKWKDOBPMB-UHFFFAOYSA-N 1 0 200.285 2.197 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309504119 347088090 /nfs/dbraw/zinc/08/80/90/347088090.db2.gz ALCGWWZKNURIRP-ZDEQEGDKSA-N 1 0 222.332 2.226 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC(=O)N1 ZINC000449290318 201861626 /nfs/dbraw/zinc/86/16/26/201861626.db2.gz FPHHQLBGOMFBCP-STQMWFEESA-N 1 0 238.375 2.380 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000449307331 201865581 /nfs/dbraw/zinc/86/55/81/201865581.db2.gz ZGBZDTYHHIAEJY-RISCZKNCSA-N 1 0 246.379 2.442 20 30 BEEDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)c(Cl)c1 ZINC000148143489 346032869 /nfs/dbraw/zinc/03/28/69/346032869.db2.gz BMZIYUPXSKRJFE-UFBFGSQYSA-N 1 0 235.718 2.138 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C(CF)CF ZINC000449381310 201896926 /nfs/dbraw/zinc/89/69/26/201896926.db2.gz ROXVWOOCHXKMSV-UHFFFAOYSA-N 1 0 204.264 2.214 20 30 BEEDRO CC[N@@H+](Cc1nc(C#N)cs1)CC(C)C ZINC000356061823 346126915 /nfs/dbraw/zinc/12/69/15/346126915.db2.gz SVKOCLNUABNIOH-UHFFFAOYSA-N 1 0 223.345 2.493 20 30 BEEDRO Cc1cc(C[NH2+]CCC(C)(C)CO)ccc1C#N ZINC000449409735 201909194 /nfs/dbraw/zinc/90/91/94/201909194.db2.gz VSNHNFRPTVMHMJ-UHFFFAOYSA-N 1 0 246.354 2.365 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449416374 201912654 /nfs/dbraw/zinc/91/26/54/201912654.db2.gz SRSDVQRZEWUSGQ-SRVKXCTJSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000632367208 346230717 /nfs/dbraw/zinc/23/07/17/346230717.db2.gz JAMGMSLESILQNC-GFCCVEGCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@]1(C)CCCS1 ZINC000628251804 346222800 /nfs/dbraw/zinc/22/28/00/346222800.db2.gz WOXVPRXVKJNQGE-LBPRGKRZSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1csc(C)c1 ZINC000294665757 346225209 /nfs/dbraw/zinc/22/52/09/346225209.db2.gz ACVKDHPHZXDLRH-LLVKDONJSA-N 1 0 211.330 2.083 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccccc1F ZINC000289677965 346252263 /nfs/dbraw/zinc/25/22/63/346252263.db2.gz HPDQSJOJEGPFLC-GXFFZTMASA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)Cc1ccccc1C ZINC000289700783 346286526 /nfs/dbraw/zinc/28/65/26/346286526.db2.gz DNOWLSADAWDCOG-JSGCOSHPSA-N 1 0 219.328 2.063 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636139051 346331472 /nfs/dbraw/zinc/33/14/72/346331472.db2.gz KUSPJBBXFSKRMS-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636089922 346315734 /nfs/dbraw/zinc/31/57/34/346315734.db2.gz BZVGZBWTWOPNEK-QWRGUYRKSA-N 1 0 238.375 2.044 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@](C)(O)COC ZINC000381544329 346315797 /nfs/dbraw/zinc/31/57/97/346315797.db2.gz JLAOJXBBWRDCPR-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000641768466 362707378 /nfs/dbraw/zinc/70/73/78/362707378.db2.gz ZLBFTQLSVRJDNZ-MGPQQGTHSA-N 1 0 223.360 2.319 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C(C)=C\c1ccccc1 ZINC000641769187 362708621 /nfs/dbraw/zinc/70/86/21/362708621.db2.gz PJYGFOUCYLMWGB-SYCZXOQXSA-N 1 0 243.350 2.454 20 30 BEEDRO C=C[C@H](CO)[NH2+]CC1(C)CCCCCC1 ZINC000641771768 362710062 /nfs/dbraw/zinc/71/00/62/362710062.db2.gz CLXOIRXOPJULAU-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H]2CCC[C@H]2[NH+](C)C)n1 ZINC000603405680 349954735 /nfs/dbraw/zinc/95/47/35/349954735.db2.gz CSZQCQKTIPQKMX-CHWSQXEVSA-N 1 0 244.342 2.156 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)c1cnn(C)c1 ZINC000281438862 346358426 /nfs/dbraw/zinc/35/84/26/346358426.db2.gz CQQOHEMHIDMWDE-PWSUYJOCSA-N 1 0 207.321 2.425 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000641767219 362701166 /nfs/dbraw/zinc/70/11/66/362701166.db2.gz HOGAQZLBVQRCNT-UPJWGTAASA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(C2CC2)cc1 ZINC000641767033 362701288 /nfs/dbraw/zinc/70/12/88/362701288.db2.gz FZEXREBYSVIQOM-MRXNPFEDSA-N 1 0 243.350 2.428 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1ccnn1C ZINC000281573529 346362582 /nfs/dbraw/zinc/36/25/82/346362582.db2.gz KPWURAABQDTVOC-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636230765 346362635 /nfs/dbraw/zinc/36/26/35/346362635.db2.gz NJONMJKATXWDKM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(C)(C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636230766 346362737 /nfs/dbraw/zinc/36/27/37/346362737.db2.gz NJONMJKATXWDKM-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000641767900 362702480 /nfs/dbraw/zinc/70/24/80/362702480.db2.gz SBOSLUBAWNUNQT-RQJABVFESA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000641767597 362702612 /nfs/dbraw/zinc/70/26/12/362702612.db2.gz MFGNZJDDQQOWPA-XHSDSOJGSA-N 1 0 243.350 2.154 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1C ZINC000641769705 362703667 /nfs/dbraw/zinc/70/36/67/362703667.db2.gz YHUIXGVPSOSVDS-INIZCTEOSA-N 1 0 245.366 2.476 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCc2sccc21 ZINC000289761385 346342457 /nfs/dbraw/zinc/34/24/57/346342457.db2.gz LRQQMONSFMCBOM-ONGXEEELSA-N 1 0 223.341 2.262 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1F ZINC000289846648 346390998 /nfs/dbraw/zinc/39/09/98/346390998.db2.gz QFISEUPIIODZKU-WPRPVWTQSA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000289844261 346391280 /nfs/dbraw/zinc/39/12/80/346391280.db2.gz PZPCXQDMABYWBZ-YRGRVCCFSA-N 1 0 219.328 2.315 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000289844256 346391298 /nfs/dbraw/zinc/39/12/98/346391298.db2.gz PZPCXQDMABYWBZ-OUCADQQQSA-N 1 0 219.328 2.315 20 30 BEEDRO COCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000334365412 133625535 /nfs/dbraw/zinc/62/55/35/133625535.db2.gz ODEKOPHDOVMBNA-CHWSQXEVSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1ccc2c(c1)OCO2 ZINC000182303750 347091634 /nfs/dbraw/zinc/09/16/34/347091634.db2.gz ZYDZZJLPNVKADP-JTQLQIEISA-N 1 0 232.283 2.370 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](CO)CC(F)F ZINC000336738520 347093266 /nfs/dbraw/zinc/09/32/66/347093266.db2.gz RHDJSDVFSMTQMP-NXEZZACHSA-N 1 0 221.291 2.337 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000249199165 346489590 /nfs/dbraw/zinc/48/95/90/346489590.db2.gz SCSVYTFEJLPBRN-DZGCQCFKSA-N 1 0 230.355 2.283 20 30 BEEDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC#N)c1 ZINC000182461383 347096038 /nfs/dbraw/zinc/09/60/38/347096038.db2.gz XAIGUROLNJDJQK-SNVBAGLBSA-N 1 0 234.299 2.355 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2ccncc2N)CC1 ZINC000603436478 349968752 /nfs/dbraw/zinc/96/87/52/349968752.db2.gz YXMFYNNXFAYWMK-UHFFFAOYSA-N 1 0 244.342 2.083 20 30 BEEDRO C=CCCC[N@@H+]1[C@@H](C)[C@@H](C)CC[C@H]1CN ZINC000641807569 362766762 /nfs/dbraw/zinc/76/67/62/362766762.db2.gz LAAJJZPHBSUARW-AVGNSLFASA-N 1 0 210.365 2.400 20 30 BEEDRO CC(C)[N@H+](CCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000361414505 535051827 /nfs/dbraw/zinc/05/18/27/535051827.db2.gz KJLFKSJFSGFLEN-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO COC[C@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000178030636 346655723 /nfs/dbraw/zinc/65/57/23/346655723.db2.gz CIWGTQZKDDDQKT-GFCCVEGCSA-N 1 0 232.327 2.273 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1C[C@H](C)OC2(CCC2)C1 ZINC000563619877 323131871 /nfs/dbraw/zinc/13/18/71/323131871.db2.gz CLAGRNXOYLPDKQ-RYUDHWBXSA-N 1 0 222.332 2.322 20 30 BEEDRO C=CCCC[NH2+]Cc1c(C)nn(C)c1C ZINC000079618705 166241919 /nfs/dbraw/zinc/24/19/19/166241919.db2.gz YHALDZRVHIRQTO-UHFFFAOYSA-N 1 0 207.321 2.093 20 30 BEEDRO C[N@H+](C[C@@H](O)C1CC1)CC(C)(C)CCC#N ZINC000589196991 346675148 /nfs/dbraw/zinc/67/51/48/346675148.db2.gz RSIDFTBAGVHCDX-GFCCVEGCSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)CSC ZINC000580182952 346625952 /nfs/dbraw/zinc/62/59/52/346625952.db2.gz MJSOSLAZVMPPES-MNOVXSKESA-N 1 0 217.378 2.045 20 30 BEEDRO N#CCC[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000331308711 133640156 /nfs/dbraw/zinc/64/01/56/133640156.db2.gz BLXURVDYTNKVIP-NSHDSACASA-N 1 0 223.320 2.364 20 30 BEEDRO N#CC1(C[NH+]2CCC(C3CC3)CC2)CC1 ZINC000590008049 346763078 /nfs/dbraw/zinc/76/30/78/346763078.db2.gz AZBIODQYQASQJH-UHFFFAOYSA-N 1 0 204.317 2.412 20 30 BEEDRO COCC1(C[N@@H+]2CCC[C@](C)(C#N)C2)CCC1 ZINC000589742381 346734503 /nfs/dbraw/zinc/73/45/03/346734503.db2.gz PMCCUMGKVIEPJF-CYBMUJFWSA-N 1 0 236.359 2.429 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(F)c1C#N ZINC000589822285 346739736 /nfs/dbraw/zinc/73/97/36/346739736.db2.gz NJKSBAOTUZHYPI-UWVGGRQHSA-N 1 0 236.290 2.210 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCc2c1cnn2C ZINC000161641479 133647356 /nfs/dbraw/zinc/64/73/56/133647356.db2.gz ZAHKAVHTXZLMPI-CMPLNLGQSA-N 1 0 219.332 2.352 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000309579477 347108069 /nfs/dbraw/zinc/10/80/69/347108069.db2.gz PZJRCEKPMOUESH-KOLCDFICSA-N 1 0 237.368 2.434 20 30 BEEDRO CCO[C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000590161267 346784912 /nfs/dbraw/zinc/78/49/12/346784912.db2.gz VXZDDRWBTUYWMA-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH+]2CC3(C2)CC(F)(F)C3)C1 ZINC000590169314 346787002 /nfs/dbraw/zinc/78/70/02/346787002.db2.gz NHVSEOGXTRVBKY-NXEZZACHSA-N 1 0 226.270 2.410 20 30 BEEDRO C=C[C@@H](CO)Nc1cc[nH+]c2ccccc12 ZINC000309603057 347120444 /nfs/dbraw/zinc/12/04/44/347120444.db2.gz XCZSWYLLIDMDHL-JTQLQIEISA-N 1 0 214.268 2.194 20 30 BEEDRO C=C(C)CC[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000601278923 347141015 /nfs/dbraw/zinc/14/10/15/347141015.db2.gz LDSDIIFJOWWZAW-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CC2(C#N)CC2)C(C)(C)O1 ZINC000309801150 347168755 /nfs/dbraw/zinc/16/87/55/347168755.db2.gz RFPQUGMDMYDQTB-JTQLQIEISA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1cc(F)ccc1O ZINC000184088508 347149442 /nfs/dbraw/zinc/14/94/42/347149442.db2.gz FKFXYWZGYLAIKM-LLVKDONJSA-N 1 0 222.263 2.313 20 30 BEEDRO COCC1(C[N@H+](CCC#N)C(C)C)CCC1 ZINC000309765785 347158502 /nfs/dbraw/zinc/15/85/02/347158502.db2.gz NOTCSIIKMDQZLW-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000309797543 347164112 /nfs/dbraw/zinc/16/41/12/347164112.db2.gz VRUYMKQCEGSSQJ-SSDOTTSWSA-N 1 0 233.237 2.483 20 30 BEEDRO CCC[C@@H](CC)[NH+]1CCN(CCC#N)CC1 ZINC000601315421 347196695 /nfs/dbraw/zinc/19/66/95/347196695.db2.gz JULQTCHXNPIKGH-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO Cc1ccc(CC[NH2+]Cc2nc(C#N)cs2)o1 ZINC000582091879 347206643 /nfs/dbraw/zinc/20/66/43/347206643.db2.gz OXLHBWDGJBLULP-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO COc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)ccn1 ZINC000185711571 347210676 /nfs/dbraw/zinc/21/06/76/347210676.db2.gz VQSNPCHBOZAYPH-YPMHNXCESA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H](C)O1 ZINC000601298070 347174419 /nfs/dbraw/zinc/17/44/19/347174419.db2.gz DADHDMKXWVPLRZ-VEGXAWMVSA-N 1 0 222.332 2.224 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H]1c1cn(C)nc1C ZINC000363920472 347183887 /nfs/dbraw/zinc/18/38/87/347183887.db2.gz JYIFBASLLCMYMJ-CYBMUJFWSA-N 1 0 219.332 2.442 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185810272 347215895 /nfs/dbraw/zinc/21/58/95/347215895.db2.gz MCFQTMUNWLODES-STQMWFEESA-N 1 0 246.358 2.209 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185810310 347216183 /nfs/dbraw/zinc/21/61/83/347216183.db2.gz MCFQTMUNWLODES-OLZOCXBDSA-N 1 0 246.358 2.209 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CCOC1 ZINC000310041006 347223625 /nfs/dbraw/zinc/22/36/25/347223625.db2.gz YCEFHZJSJSAMPX-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H](C)c1ncn(C)n1 ZINC000310040979 347223658 /nfs/dbraw/zinc/22/36/58/347223658.db2.gz YBGCQIBMTQHJHG-MNOVXSKESA-N 1 0 222.336 2.211 20 30 BEEDRO CNC(=[NH2+])NC[C@H](Cc1ccccc1)C(C)C ZINC000188962782 347293345 /nfs/dbraw/zinc/29/33/45/347293345.db2.gz DTYFLODQUSGWQL-ZDUSSCGKSA-N 1 0 233.359 2.035 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]CCCC(C)(C)C#N ZINC000300844172 347269648 /nfs/dbraw/zinc/26/96/48/347269648.db2.gz KKSOKLBPDAAQKD-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000301027130 347329442 /nfs/dbraw/zinc/32/94/42/347329442.db2.gz PVDCMIRRAGZVKJ-RYUDHWBXSA-N 1 0 224.348 2.331 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000309412138 136731997 /nfs/dbraw/zinc/73/19/97/136731997.db2.gz IRVZKMTVMGUCNA-QJPTWQEYSA-N 1 0 222.332 2.226 20 30 BEEDRO CCc1cnc(CN[C@H](CC)CC#N)s1 ZINC000336762865 347302983 /nfs/dbraw/zinc/30/29/83/347302983.db2.gz OEVRLSAGWSQSBL-SECBINFHSA-N 1 0 223.345 2.487 20 30 BEEDRO COC[C@@H](C)C[NH2+]CC1CCC(C#N)CC1 ZINC000390538085 347384162 /nfs/dbraw/zinc/38/41/62/347384162.db2.gz KRKVTZIJQMSTTE-HIFPTAJRSA-N 1 0 224.348 2.188 20 30 BEEDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192825209 347385371 /nfs/dbraw/zinc/38/53/71/347385371.db2.gz CAWQIIJEKJDHMZ-DRZSPHRISA-N 1 0 246.358 2.462 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000192834677 347385457 /nfs/dbraw/zinc/38/54/57/347385457.db2.gz JMQIQQJZMNDUGP-WFASDCNBSA-N 1 0 244.338 2.351 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(CO)c2)C1 ZINC000192834704 347385489 /nfs/dbraw/zinc/38/54/89/347385489.db2.gz JMQIQQJZMNDUGP-IUODEOHRSA-N 1 0 244.338 2.351 20 30 BEEDRO Cc1cc(C[C@@H](C)[NH2+][C@@H]2CCC[C@H](C#N)C2)[nH]n1 ZINC000193029431 347388845 /nfs/dbraw/zinc/38/88/45/347388845.db2.gz WGAJRCKXKADZPH-KGYLQXTDSA-N 1 0 246.358 2.321 20 30 BEEDRO C[C@@H]([NH2+]CCCCO)c1ccc(OCC#N)cc1 ZINC000193276012 347394973 /nfs/dbraw/zinc/39/49/73/347394973.db2.gz UOACYATZEGVRIQ-GFCCVEGCSA-N 1 0 248.326 2.012 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn(C)nc1C(F)(F)F ZINC000269658096 166259760 /nfs/dbraw/zinc/25/97/60/166259760.db2.gz PIOCAJQCLBROES-UHFFFAOYSA-N 1 0 247.264 2.447 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc2ncccc2c1 ZINC000195293462 347446399 /nfs/dbraw/zinc/44/63/99/347446399.db2.gz FPYZTWUXIDKIDJ-UHFFFAOYSA-N 1 0 242.326 2.049 20 30 BEEDRO CN1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000590643900 347484637 /nfs/dbraw/zinc/48/46/37/347484637.db2.gz GNXYOOBOOOFNOQ-ROKHWSDSSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCN1CCC([NH2+][C@H]2CCCC23CCC3)CC1 ZINC000590645872 347484883 /nfs/dbraw/zinc/48/48/83/347484883.db2.gz ZNDBRZZKZJHRHN-AWEZNQCLSA-N 1 0 247.386 2.287 20 30 BEEDRO CCc1cc(N2CC[C@](F)(C#N)C2)ccn1 ZINC000590698780 347492720 /nfs/dbraw/zinc/49/27/20/347492720.db2.gz OHHIMDNDKXUEII-LBPRGKRZSA-N 1 0 219.263 2.086 20 30 BEEDRO C=CCCC(=O)N1CCC[C@@H](n2ccnc2)C1 ZINC000590728157 347497216 /nfs/dbraw/zinc/49/72/16/347497216.db2.gz RHPORABVPKONSO-GFCCVEGCSA-N 1 0 233.315 2.013 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H](n2ccnc2)C1 ZINC000590728158 347497334 /nfs/dbraw/zinc/49/73/34/347497334.db2.gz RHPORABVPKONSO-LBPRGKRZSA-N 1 0 233.315 2.013 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000111260201 347473031 /nfs/dbraw/zinc/47/30/31/347473031.db2.gz KFFGCRVEHFCTOH-CQSZACIVSA-N 1 0 244.338 2.111 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000590593141 347477835 /nfs/dbraw/zinc/47/78/35/347477835.db2.gz KZMNIJPVYYKVRN-KBPBESRZSA-N 1 0 235.375 2.096 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000119971176 347538922 /nfs/dbraw/zinc/53/89/22/347538922.db2.gz QQPIUJMDFATEPY-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO Cc1cnccc1C[NH2+]CC(C)(C)CC#N ZINC000590970452 347597507 /nfs/dbraw/zinc/59/75/07/347597507.db2.gz HMXCAZDNSVSLNK-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000591243325 347633375 /nfs/dbraw/zinc/63/33/75/347633375.db2.gz LDTOXZSJMBZDSE-SECBINFHSA-N 1 0 220.320 2.309 20 30 BEEDRO C=CCC[NH2+][C@@H](C(C)C)C1(CO)CCC1 ZINC000339727612 166266523 /nfs/dbraw/zinc/26/65/23/166266523.db2.gz BYDQVBMVMMYYAD-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@@H]([NH2+]CCOCCC#N)c1cccc(C#N)c1 ZINC000590169992 347608886 /nfs/dbraw/zinc/60/88/86/347608886.db2.gz RTUZQVPFLGOSRF-GFCCVEGCSA-N 1 0 243.310 2.139 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN([C@H]2CC[C@H](C#N)C2)C1 ZINC000590166127 347609102 /nfs/dbraw/zinc/60/91/02/347609102.db2.gz QEAQLEVQPIWNSP-MJBXVCDLSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000591026224 347611191 /nfs/dbraw/zinc/61/11/91/347611191.db2.gz SIISJFDAZDRPHI-ZJUUUORDSA-N 1 0 232.274 2.382 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000591026222 347611414 /nfs/dbraw/zinc/61/14/14/347611414.db2.gz SIISJFDAZDRPHI-UWVGGRQHSA-N 1 0 232.274 2.382 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@H](C3CCC3)C2)CC1 ZINC000591063072 347612575 /nfs/dbraw/zinc/61/25/75/347612575.db2.gz ILHNOQJFRPNSCB-LBPRGKRZSA-N 1 0 204.317 2.412 20 30 BEEDRO C[C@@H](N[C@H](C)[C@H]1CCC[NH2+]1)c1cccc(C#N)c1 ZINC000591570986 347675707 /nfs/dbraw/zinc/67/57/07/347675707.db2.gz PRZDRGOBEHITAW-LALPHHSUSA-N 1 0 243.354 2.349 20 30 BEEDRO N#CC1(Cc2nc(C3([NH3+])CCCCC3)no2)CC1 ZINC000591662634 347684141 /nfs/dbraw/zinc/68/41/41/347684141.db2.gz DYZFZSGYBZPEIJ-UHFFFAOYSA-N 1 0 246.314 2.034 20 30 BEEDRO CC(C)(CO)[C@H](C[NH2+]CCC#N)c1ccccc1 ZINC000591756864 347691473 /nfs/dbraw/zinc/69/14/73/347691473.db2.gz ULIOKRIQRCZLRZ-CQSZACIVSA-N 1 0 246.354 2.292 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@H](O)CCc1ccccc1 ZINC000591759666 347692552 /nfs/dbraw/zinc/69/25/52/347692552.db2.gz SKVHXCRMULFJSC-CQSZACIVSA-N 1 0 246.354 2.119 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000591759851 347692592 /nfs/dbraw/zinc/69/25/92/347692592.db2.gz ZQFFFHBEIGPZIN-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO N#CCN1CCC([NH2+][C@H](C2CC2)C2CCC2)CC1 ZINC000590777765 347696699 /nfs/dbraw/zinc/69/66/99/347696699.db2.gz DWYWFZSIABQSOC-HNNXBMFYSA-N 1 0 247.386 2.143 20 30 BEEDRO CC[C@H](O)C[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000591765873 347697792 /nfs/dbraw/zinc/69/77/92/347697792.db2.gz NAYOBACZFPHJTB-NSHDSACASA-N 1 0 238.718 2.072 20 30 BEEDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccc(C#N)cc1F ZINC000591473473 347667248 /nfs/dbraw/zinc/66/72/48/347667248.db2.gz OXLGKJDWSUYPMM-JLLWLGSASA-N 1 0 248.301 2.119 20 30 BEEDRO N#CCCCCCc1nc(C2([NH3+])CCCC2)no1 ZINC000592354033 347766799 /nfs/dbraw/zinc/76/67/99/347766799.db2.gz QHDVVUFQGXBDMG-UHFFFAOYSA-N 1 0 248.330 2.424 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000592374347 347771062 /nfs/dbraw/zinc/77/10/62/347771062.db2.gz ARVPJOAKHAMNSH-WFASDCNBSA-N 1 0 246.354 2.445 20 30 BEEDRO C[C@@H](C[NH2+]Cc1nc(C#N)cs1)CC(F)F ZINC000592372709 347771179 /nfs/dbraw/zinc/77/11/79/347771179.db2.gz KSPOBDRQOXQEBQ-SSDOTTSWSA-N 1 0 245.298 2.396 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000592393224 347775941 /nfs/dbraw/zinc/77/59/41/347775941.db2.gz XIGGXLDGCICSNH-CABCVRRESA-N 1 0 244.338 2.351 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)Cc1ccncc1C#N ZINC000592071112 347727614 /nfs/dbraw/zinc/72/76/14/347727614.db2.gz ZWRALUDYPSIQET-LLVKDONJSA-N 1 0 217.316 2.431 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592071836 347728084 /nfs/dbraw/zinc/72/80/84/347728084.db2.gz SFUFSYLHYWBDND-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccncc2C#N)C1 ZINC000592072490 347728226 /nfs/dbraw/zinc/72/82/26/347728226.db2.gz NDOARRFFXMFTGB-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000449518234 201949005 /nfs/dbraw/zinc/94/90/05/201949005.db2.gz ISZPMQVUKPFKFR-RNJOBUHISA-N 1 0 241.400 2.450 20 30 BEEDRO CC(C)[C@H](C#N)N1CC[NH+](CC2=CCCC2)CC1 ZINC000592086012 347730851 /nfs/dbraw/zinc/73/08/51/347730851.db2.gz XLBOPCAEWUCRNS-HNNXBMFYSA-N 1 0 247.386 2.262 20 30 BEEDRO N#Cc1cnccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000592124904 347738089 /nfs/dbraw/zinc/73/80/89/347738089.db2.gz MEMOTAXCXHQDFR-SWHYSGLUSA-N 1 0 227.311 2.231 20 30 BEEDRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148565 347740913 /nfs/dbraw/zinc/74/09/13/347740913.db2.gz ZSHBQZSZNRHPGG-SMDDNHRTSA-N 1 0 248.301 2.237 20 30 BEEDRO CCc1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)cc1 ZINC000592150923 347741758 /nfs/dbraw/zinc/74/17/58/347741758.db2.gz JVHLENRTWWXLAS-HNNXBMFYSA-N 1 0 244.338 2.099 20 30 BEEDRO C[C@@H](O)C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000334536675 133692630 /nfs/dbraw/zinc/69/26/30/133692630.db2.gz UWCCSYLAEMHGKG-ABAIWWIYSA-N 1 0 244.338 2.296 20 30 BEEDRO CCCN(Cc1ccc(C#N)o1)[C@@H]1CC[N@H+](C)C1 ZINC000592519949 347794397 /nfs/dbraw/zinc/79/43/97/347794397.db2.gz BLEKEUFVUBDZRA-GFCCVEGCSA-N 1 0 247.342 2.067 20 30 BEEDRO CC[C@@H](CO)[N@H+](C)CCCC(C)(C)C#N ZINC000345843411 365925770 /nfs/dbraw/zinc/92/57/70/365925770.db2.gz UZZLOFFTHBQLLQ-NSHDSACASA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@@H]1CN(CC2(C#N)CC2)[C@@H](CC)CO1 ZINC000593058059 347847974 /nfs/dbraw/zinc/84/79/74/347847974.db2.gz ILXLVEBACLIBIL-NWDGAFQWSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](CO)C1CC[NH+](CCCCC#N)CC1 ZINC000593084141 347852279 /nfs/dbraw/zinc/85/22/79/347852279.db2.gz NIMDESFXNVPYLK-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO CCC[C@H](C)[C@H](CO)[NH2+]CCCSCC#N ZINC000593050124 347852412 /nfs/dbraw/zinc/85/24/12/347852412.db2.gz BRUHTKZWTOAYSW-RYUDHWBXSA-N 1 0 244.404 2.020 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@@H](C)CCO ZINC000593107769 347859932 /nfs/dbraw/zinc/85/99/32/347859932.db2.gz IMCSLCSPIKWJHS-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO Cc1cc(C2=CC[NH2+]CC2)ccc1CC#N ZINC000592988637 347837115 /nfs/dbraw/zinc/83/71/15/347837115.db2.gz MKGUJBVLRDIGNA-UHFFFAOYSA-N 1 0 212.296 2.438 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118441 347862758 /nfs/dbraw/zinc/86/27/58/347862758.db2.gz REAKSXDCEHMUSN-ZJUUUORDSA-N 1 0 214.259 2.410 20 30 BEEDRO C=CCC[C@@H](O)CN1Cc2cccc(C#N)c2C1 ZINC000593119611 347862955 /nfs/dbraw/zinc/86/29/55/347862955.db2.gz CIJDJIVYEIDRFB-CQSZACIVSA-N 1 0 242.322 2.201 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC2(CO)CCC2)cc1 ZINC000593693272 347928993 /nfs/dbraw/zinc/92/89/93/347928993.db2.gz KHBBELOTNARAQR-UHFFFAOYSA-N 1 0 244.338 2.201 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000593681705 347932300 /nfs/dbraw/zinc/93/23/00/347932300.db2.gz HHYUFHKHOJVKGX-KGYLQXTDSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H](COCC1CC1)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000593681895 347932371 /nfs/dbraw/zinc/93/23/71/347932371.db2.gz LYFCGFFHVBWOEV-XBFCOCLRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CCO)CSC)C1 ZINC000593602689 347919121 /nfs/dbraw/zinc/91/91/21/347919121.db2.gz PRJOMORQJQKRHT-AGIUHOORSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)CSC)C1 ZINC000593603203 347919148 /nfs/dbraw/zinc/91/91/48/347919148.db2.gz SOOPELAKQAPNLO-AGIUHOORSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C[S@@](C)=O)C1 ZINC000593614608 347921048 /nfs/dbraw/zinc/92/10/48/347921048.db2.gz FRSGDKJDCORYAH-MCYUEQNJSA-N 1 0 229.389 2.088 20 30 BEEDRO C[C@H](C#N)CN(Cc1ccc(C#N)cn1)C1CC1 ZINC000593968624 347974476 /nfs/dbraw/zinc/97/44/76/347974476.db2.gz WCXVGLQBMLWVRR-LLVKDONJSA-N 1 0 240.310 2.077 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCOC(C)(C)C ZINC000594009018 347985055 /nfs/dbraw/zinc/98/50/55/347985055.db2.gz YLSDGESWQPKXSQ-NSHDSACASA-N 1 0 212.337 2.473 20 30 BEEDRO CCC(C)(C)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000594020322 347991187 /nfs/dbraw/zinc/99/11/87/347991187.db2.gz HOVNNCSQHOWQQU-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CO[C@@H](C[N@@H+]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000594028710 347992271 /nfs/dbraw/zinc/99/22/71/347992271.db2.gz WDNZVUHSMFZBKS-HNNXBMFYSA-N 1 0 242.322 2.299 20 30 BEEDRO C[C@H](O)C[N@H+](Cc1ccc(F)c(C#N)c1)C1CC1 ZINC000594061034 347996611 /nfs/dbraw/zinc/99/66/11/347996611.db2.gz AEZYMZCRJHLUMA-JTQLQIEISA-N 1 0 248.301 2.043 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000449547796 201962429 /nfs/dbraw/zinc/96/24/29/201962429.db2.gz JQDAFDHQHNKXML-MLGHIDQZSA-N 1 0 209.333 2.354 20 30 BEEDRO C[C@@H](CO)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594495833 348063517 /nfs/dbraw/zinc/06/35/17/348063517.db2.gz DBBHQAIWMUMZEX-GFCCVEGCSA-N 1 0 246.354 2.206 20 30 BEEDRO C[C@H](O)CC[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594501173 348063957 /nfs/dbraw/zinc/06/39/57/348063957.db2.gz IXBGOBGIPMKKSP-LBPRGKRZSA-N 1 0 246.354 2.348 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000594502563 348064323 /nfs/dbraw/zinc/06/43/23/348064323.db2.gz LJHUUORAZJZRQQ-LLVKDONJSA-N 1 0 237.372 2.227 20 30 BEEDRO CC(C)(C#N)c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000594505145 348064676 /nfs/dbraw/zinc/06/46/76/348064676.db2.gz PMVSDODPCBNDKP-CQSZACIVSA-N 1 0 244.338 2.366 20 30 BEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccccc1 ZINC000594424466 348051510 /nfs/dbraw/zinc/05/15/10/348051510.db2.gz DYEHAUWRLPDGOG-LBPRGKRZSA-N 1 0 231.299 2.036 20 30 BEEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccsc1 ZINC000594444445 348055813 /nfs/dbraw/zinc/05/58/13/348055813.db2.gz MHJZNVCIRCKJMS-JTQLQIEISA-N 1 0 237.328 2.098 20 30 BEEDRO COCC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000594708561 348103468 /nfs/dbraw/zinc/10/34/68/348103468.db2.gz BAMBSCYRNDEFKU-LBPRGKRZSA-N 1 0 232.327 2.115 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1cnccn1 ZINC000594714356 348105657 /nfs/dbraw/zinc/10/56/57/348105657.db2.gz XXULUCYCTBAAEW-NSHDSACASA-N 1 0 237.372 2.437 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000594609845 348082253 /nfs/dbraw/zinc/08/22/53/348082253.db2.gz UMPGDZJPHBXQQJ-SECBINFHSA-N 1 0 237.299 2.429 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])c1cn(CC2(CC#N)CC2)nn1 ZINC000594651800 348089956 /nfs/dbraw/zinc/08/99/56/348089956.db2.gz HPHZJDPAXMKFDS-LLVKDONJSA-N 1 0 247.346 2.018 20 30 BEEDRO N#CC1(c2ccc(C[NH2+][C@H]3CCOC3)cc2)CC1 ZINC000594935146 348141483 /nfs/dbraw/zinc/14/14/83/348141483.db2.gz HGEKVXLSBJKANY-AWEZNQCLSA-N 1 0 242.322 2.120 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594943541 348144295 /nfs/dbraw/zinc/14/42/95/348144295.db2.gz KZNTVOQLBRPNQP-GRYCIOLGSA-N 1 0 239.359 2.376 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)CO1 ZINC000594943582 348144333 /nfs/dbraw/zinc/14/43/33/348144333.db2.gz DKJWVDXYEUEPOI-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594943688 348144468 /nfs/dbraw/zinc/14/44/68/348144468.db2.gz FSVGTVZWHLCXHP-WOPDTQHZSA-N 1 0 225.332 2.130 20 30 BEEDRO Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000594948481 348146772 /nfs/dbraw/zinc/14/67/72/348146772.db2.gz ZURKBQUJQYSDCK-PWSUYJOCSA-N 1 0 244.342 2.079 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CSCCF ZINC000595040984 348177574 /nfs/dbraw/zinc/17/75/74/348177574.db2.gz JDRMEPDLKQWYJZ-TUAOUCFPSA-N 1 0 247.379 2.401 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000594955689 348148971 /nfs/dbraw/zinc/14/89/71/348148971.db2.gz SCOPAUDPRWZBBJ-LALPHHSUSA-N 1 0 244.338 2.256 20 30 BEEDRO C=CCCSCC[NH2+]Cc1ccn(C)c1 ZINC000594959740 348150272 /nfs/dbraw/zinc/15/02/72/348150272.db2.gz BGMLFOFNTDFRIS-UHFFFAOYSA-N 1 0 224.373 2.424 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000594960428 348150832 /nfs/dbraw/zinc/15/08/32/348150832.db2.gz QGSPCVAVZPYTKS-GRYCIOLGSA-N 1 0 229.389 2.451 20 30 BEEDRO C=CCCSCC[NH2+]Cc1c(C)cnn1C ZINC000594960894 348150843 /nfs/dbraw/zinc/15/08/43/348150843.db2.gz ZTZAOGFDVHZHEL-UHFFFAOYSA-N 1 0 239.388 2.127 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000594960432 348151080 /nfs/dbraw/zinc/15/10/80/348151080.db2.gz QGSPCVAVZPYTKS-SDDRHHMPSA-N 1 0 229.389 2.451 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2F)CO1 ZINC000594920014 348154642 /nfs/dbraw/zinc/15/46/42/348154642.db2.gz MBNKMRGHXISXJG-OLZOCXBDSA-N 1 0 248.301 2.354 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000594967938 348161201 /nfs/dbraw/zinc/16/12/01/348161201.db2.gz AYDRASAXSRRBDG-JOCQHMNTSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(C#N)cc1F ZINC000594975593 348162507 /nfs/dbraw/zinc/16/25/07/348162507.db2.gz WSBFKKVITJDOIY-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2nc(C#N)cs2)CC1(F)F ZINC000594976334 348163677 /nfs/dbraw/zinc/16/36/77/348163677.db2.gz ABSKMNIEOOBOPJ-VIFPVBQESA-N 1 0 243.282 2.150 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000594990455 348166941 /nfs/dbraw/zinc/16/69/41/348166941.db2.gz YZYRXZKUHVKIPX-NEPJUHHUSA-N 1 0 236.359 2.209 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000594994600 348167783 /nfs/dbraw/zinc/16/77/83/348167783.db2.gz IZRIPLFVMXLTIZ-KGLIPLIRSA-N 1 0 230.311 2.134 20 30 BEEDRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc(C#N)o1 ZINC000594996403 348168473 /nfs/dbraw/zinc/16/84/73/348168473.db2.gz NBGBDXNRRXSOIJ-LBPRGKRZSA-N 1 0 204.273 2.429 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000594996577 348168536 /nfs/dbraw/zinc/16/85/36/348168536.db2.gz SAUZLZPVVATEDM-PWSUYJOCSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[S@@](C)=O ZINC000595034493 348175850 /nfs/dbraw/zinc/17/58/50/348175850.db2.gz WCSJFSCDRBGPBM-NFFDBFGFSA-N 1 0 243.416 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C=CCCSCC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000595059360 348183747 /nfs/dbraw/zinc/18/37/47/348183747.db2.gz MZONBMGQRGHION-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO N#Cc1ccc(CC[NH2+][C@@H]2CCSC2)cc1 ZINC000595059018 348183826 /nfs/dbraw/zinc/18/38/26/348183826.db2.gz FJMQGSVUAUFFHX-CYBMUJFWSA-N 1 0 232.352 2.196 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1COC(C)(C)C1 ZINC000595059400 348183993 /nfs/dbraw/zinc/18/39/93/348183993.db2.gz NPKVBZGWKMDNJR-NSHDSACASA-N 1 0 229.389 2.453 20 30 BEEDRO CC[C@H](C)[NH2+]CCc1ccc(C#N)cc1 ZINC000595059931 348184769 /nfs/dbraw/zinc/18/47/69/348184769.db2.gz IRJJYFSLHOREQZ-NSHDSACASA-N 1 0 202.301 2.489 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CCOC[C@H]1C ZINC000595061062 348185130 /nfs/dbraw/zinc/18/51/30/348185130.db2.gz XXYNXQAMIFUGLT-NEPJUHHUSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000595014378 348186148 /nfs/dbraw/zinc/18/61/48/348186148.db2.gz PDYXMAORNNDXSU-NSHDSACASA-N 1 0 229.389 2.453 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCO[C@H]2CC2(F)F)C1 ZINC000595068275 348187448 /nfs/dbraw/zinc/18/74/48/348187448.db2.gz JDGSHAPOMVAAKG-MXWKQRLJSA-N 1 0 244.285 2.083 20 30 BEEDRO CC[C@@H]([NH2+]C/C=C/CO)c1ccc(C#N)cc1 ZINC000595067607 348187488 /nfs/dbraw/zinc/18/74/88/348187488.db2.gz GXJJGDOXNKCYFX-RDFMZFSFSA-N 1 0 230.311 2.147 20 30 BEEDRO CC[C@H]1COCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595321309 348225928 /nfs/dbraw/zinc/22/59/28/348225928.db2.gz INZWPXNVQCJIOO-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO CC[C@H](COC)[NH2+]CC1(C#N)CCCCC1 ZINC000595090634 348191015 /nfs/dbraw/zinc/19/10/15/348191015.db2.gz JTFKIQNNOFIAGG-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO CCOC[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595091249 348192088 /nfs/dbraw/zinc/19/20/88/348192088.db2.gz OPNFMICPSFKBRK-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2ccco2)C1 ZINC000595094025 348192623 /nfs/dbraw/zinc/19/26/23/348192623.db2.gz SBCHXWHCQYBYDS-NWDGAFQWSA-N 1 0 218.300 2.494 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]CC1(C#N)CCCCC1 ZINC000595092088 348193086 /nfs/dbraw/zinc/19/30/86/348193086.db2.gz WEYJXQAIOAOHLE-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](O)[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)c1ccccc1 ZINC000595102910 348195830 /nfs/dbraw/zinc/19/58/30/348195830.db2.gz KJVXSMZAIAIEML-MXYBEHONSA-N 1 0 244.338 2.390 20 30 BEEDRO CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000595110007 348197319 /nfs/dbraw/zinc/19/73/19/348197319.db2.gz YQDIQYVQRZNXQW-HONMWMINSA-N 1 0 230.311 2.386 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595484583 348253274 /nfs/dbraw/zinc/25/32/74/348253274.db2.gz RTWJWEQWWKZHDD-BXUZGUMPSA-N 1 0 246.379 2.442 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000595484584 348253395 /nfs/dbraw/zinc/25/33/95/348253395.db2.gz RTWJWEQWWKZHDD-FZMZJTMJSA-N 1 0 246.379 2.442 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000419243284 192114000 /nfs/dbraw/zinc/11/40/00/192114000.db2.gz SKXHWICJPACTLB-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCCCC#N)n1 ZINC000595520985 348269980 /nfs/dbraw/zinc/26/99/80/348269980.db2.gz UYBGCZXCYMOPSI-UHFFFAOYSA-N 1 0 248.330 2.009 20 30 BEEDRO N#CCCCC[N@H+](C1CC1)C1(CO)CCC1 ZINC000595533653 348275638 /nfs/dbraw/zinc/27/56/38/348275638.db2.gz MUZSKIAAKYVPLX-UHFFFAOYSA-N 1 0 222.332 2.060 20 30 BEEDRO CC[C@@H](CC(F)F)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000595557200 348279391 /nfs/dbraw/zinc/27/93/91/348279391.db2.gz IQOCLARZYIAJIQ-JQWIXIFHSA-N 1 0 246.301 2.018 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CSC ZINC000595602065 348286207 /nfs/dbraw/zinc/28/62/07/348286207.db2.gz HACGLBNIHZSHAK-AGIUHOORSA-N 1 0 243.416 2.435 20 30 BEEDRO N#CC[C@@H]1CCCN(CC[NH+]2CCCCC2)C1 ZINC000595614312 348287942 /nfs/dbraw/zinc/28/79/42/348287942.db2.gz KCHJPXUMKPNOBG-AWEZNQCLSA-N 1 0 235.375 2.098 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCOCC2CC2)C1 ZINC000595613543 348288083 /nfs/dbraw/zinc/28/80/83/348288083.db2.gz FFHSZJDLAXZMAE-GFCCVEGCSA-N 1 0 222.332 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CC(C)(C)OCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308983792 323183420 /nfs/dbraw/zinc/18/34/20/323183420.db2.gz JBXLNQKUURCEMW-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1C#N ZINC000595807765 348348743 /nfs/dbraw/zinc/34/87/43/348348743.db2.gz AAVBWLVNVFWSJM-JSGCOSHPSA-N 1 0 242.322 2.409 20 30 BEEDRO C[C@@H]1COC2(CCCC2)C[N@@H+]1CCCC#N ZINC000595809663 348349907 /nfs/dbraw/zinc/34/99/07/348349907.db2.gz URHDCXJPRBWKPA-GFCCVEGCSA-N 1 0 222.332 2.324 20 30 BEEDRO N#CC1(CCC[N@@H+]2CC[C@H]3C[C@H]3C2)CCOCC1 ZINC000595811025 348350596 /nfs/dbraw/zinc/35/05/96/348350596.db2.gz RNLVDAZUCALRRL-KBPBESRZSA-N 1 0 248.370 2.429 20 30 BEEDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1cccc(C#N)c1)C2 ZINC000595755166 348329366 /nfs/dbraw/zinc/32/93/66/348329366.db2.gz HKVUXAXMGZCGQF-LSDHHAIUSA-N 1 0 242.322 2.027 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595756502 348329988 /nfs/dbraw/zinc/32/99/88/348329988.db2.gz HUSXPCIWDMSRMA-BYCMXARLSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccccc1C#N)C2 ZINC000595756327 348330358 /nfs/dbraw/zinc/33/03/58/348330358.db2.gz TTZWPPMVQWECTO-HUUCEWRRSA-N 1 0 242.322 2.027 20 30 BEEDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC000595760640 348332713 /nfs/dbraw/zinc/33/27/13/348332713.db2.gz VDLPUMPZRYPETK-GXFFZTMASA-N 1 0 248.351 2.088 20 30 BEEDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(C#N)s1)C2 ZINC000595760639 348333011 /nfs/dbraw/zinc/33/30/11/348333011.db2.gz VDLPUMPZRYPETK-GWCFXTLKSA-N 1 0 248.351 2.088 20 30 BEEDRO Cc1cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)ccc1C#N ZINC000595767632 348334990 /nfs/dbraw/zinc/33/49/90/348334990.db2.gz ZIAVGVOMNLTWAU-SWLSCSKDSA-N 1 0 244.338 2.212 20 30 BEEDRO CC[C@H]([NH2+]CCCSCC#N)C1CC1 ZINC000595766669 348335088 /nfs/dbraw/zinc/33/50/88/348335088.db2.gz YPKSTRGEUPVVEP-NSHDSACASA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1Cc1ccc(F)c(C#N)c1 ZINC000595766579 348335130 /nfs/dbraw/zinc/33/51/30/348335130.db2.gz QAGYAIIOYBZCAZ-QMTHXVAHSA-N 1 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20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccccc1C(C)(C)C#N ZINC000595864089 348383606 /nfs/dbraw/zinc/38/36/06/348383606.db2.gz PGTWZNNVQGGHDM-CYBMUJFWSA-N 1 0 244.338 2.124 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595844756 348353494 /nfs/dbraw/zinc/35/34/94/348353494.db2.gz VLISTJNVKJYWBJ-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C(=O)OC)C1CC1 ZINC000595845971 348355344 /nfs/dbraw/zinc/35/53/44/348355344.db2.gz YLUJDPQRLJPCSE-XQQFMLRXSA-N 1 0 235.327 2.121 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCSC1CCCCC1 ZINC000595873634 348387218 /nfs/dbraw/zinc/38/72/18/348387218.db2.gz OPUFQNPGXQAPIU-LLVKDONJSA-N 1 0 229.389 2.189 20 30 BEEDRO CCN(C[C@H](O)CCC(C)C)[C@@H](C)C#N ZINC000595820092 348360772 /nfs/dbraw/zinc/36/07/72/348360772.db2.gz JEQKGKKDMKRMFC-NWDGAFQWSA-N 1 0 212.337 2.017 20 30 BEEDRO C=CCSCC[NH2+]C[C@H](CCC)OC ZINC000385979282 362920216 /nfs/dbraw/zinc/92/02/16/362920216.db2.gz CMAJWXGUFQOWAO-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000262844135 187396763 /nfs/dbraw/zinc/39/67/63/187396763.db2.gz JFJVSYPZTIRATA-YPMHNXCESA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCOCC[NH2+]Cc1cc(F)ccc1F ZINC000303548805 490166169 /nfs/dbraw/zinc/16/61/69/490166169.db2.gz CVTJLOWQPMSWGC-UHFFFAOYSA-N 1 0 227.254 2.257 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)Nc2ccsc2)CC1 ZINC000265599504 187397268 /nfs/dbraw/zinc/39/72/68/187397268.db2.gz MDKMEHWNALPCQA-UHFFFAOYSA-N 1 0 248.351 2.032 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CC1=CCSC1 ZINC000595888468 348389142 /nfs/dbraw/zinc/38/91/42/348389142.db2.gz MSPHWNVBKGTQDU-SNVBAGLBSA-N 1 0 210.346 2.284 20 30 BEEDRO C=C(Br)C[N@H+]1CC[C@@H](C)C1 ZINC000263689613 187397921 /nfs/dbraw/zinc/39/79/21/187397921.db2.gz LAKQFQLSXNWQIG-SSDOTTSWSA-N 1 0 204.111 2.237 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CC1=CCSC1 ZINC000595888467 348389346 /nfs/dbraw/zinc/38/93/46/348389346.db2.gz MSPHWNVBKGTQDU-JTQLQIEISA-N 1 0 210.346 2.284 20 30 BEEDRO C[C@]1(C#N)CC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000595905549 348396075 /nfs/dbraw/zinc/39/60/75/348396075.db2.gz VECKYOQTSSTSGE-CQSZACIVSA-N 1 0 235.375 2.002 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)C[C@@](C)(C(F)F)O1 ZINC000595913165 348399390 /nfs/dbraw/zinc/39/93/90/348399390.db2.gz CIEFEXYTMZZIQG-PWSUYJOCSA-N 1 0 246.301 2.425 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@H](C#N)CCC#N)C1CCCC1 ZINC000596049399 348428569 /nfs/dbraw/zinc/42/85/69/348428569.db2.gz ZSMGFMISXLXSIC-JSGCOSHPSA-N 1 0 249.358 2.225 20 30 BEEDRO CO[C@@H](C[NH2+][C@@H](C)CC#N)C1CCCC1 ZINC000596047310 348428903 /nfs/dbraw/zinc/42/89/03/348428903.db2.gz PBTRDGMFMAMWRK-JQWIXIFHSA-N 1 0 210.321 2.083 20 30 BEEDRO CN(CCCC#N)C(C)(C)C[NH+]1CCCC1 ZINC000419375726 192129427 /nfs/dbraw/zinc/12/94/27/192129427.db2.gz QOUVILJZBOPRQK-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C[C@@H]([NH2+]CCOCCF)c1cccc(C#N)c1 ZINC000596050532 348432396 /nfs/dbraw/zinc/43/23/96/348432396.db2.gz KUHJJDQWQWMNFQ-LLVKDONJSA-N 1 0 236.290 2.195 20 30 BEEDRO Cc1ccc(C#N)nc1NCC(C)(C)C[NH+](C)C ZINC000596054830 348434002 /nfs/dbraw/zinc/43/40/02/348434002.db2.gz HOXGOTHOHJDNHU-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CCn1nccc1C[NH2+]Cc1ccc(C#N)s1 ZINC000596061863 348435602 /nfs/dbraw/zinc/43/56/02/348435602.db2.gz LSOQTUJFWRDGHZ-UHFFFAOYSA-N 1 0 246.339 2.126 20 30 BEEDRO CC(C)[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1CC1 ZINC000596064087 348435875 /nfs/dbraw/zinc/43/58/75/348435875.db2.gz BEFXOKSIGXUDTN-WCQYABFASA-N 1 0 219.332 2.454 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C#N)cn1 ZINC000596275107 348493874 /nfs/dbraw/zinc/49/38/74/348493874.db2.gz LPNJYPAYJKIJCW-ZDUSSCGKSA-N 1 0 232.331 2.018 20 30 BEEDRO C[C@H](C#N)CNc1[nH+]ccc2[nH]ccc21 ZINC000596143207 348450129 /nfs/dbraw/zinc/45/01/29/348450129.db2.gz QKZASOWWVIAIRO-MRVPVSSYSA-N 1 0 200.245 2.134 20 30 BEEDRO C[C@H](CCNc1ccc(F)cc1C#N)[NH+](C)C ZINC000596429501 348542104 /nfs/dbraw/zinc/54/21/04/348542104.db2.gz IBAZGMBCFOSVQA-SNVBAGLBSA-N 1 0 235.306 2.449 20 30 BEEDRO C[C@H](CCNc1ccc(C#N)cc1)[NH+](C)C ZINC000596423808 348528526 /nfs/dbraw/zinc/52/85/26/348528526.db2.gz CLADZSXTZMMBHM-LLVKDONJSA-N 1 0 217.316 2.310 20 30 BEEDRO Cc1nsc(NCC[C@@H](C)[NH+](C)C)c1C#N ZINC000596427183 348529719 /nfs/dbraw/zinc/52/97/19/348529719.db2.gz AXLLOJQDSIYOKG-MRVPVSSYSA-N 1 0 238.360 2.075 20 30 BEEDRO C[C@@H](NCC1([NH3+])CCCC1)c1ccc(C#N)cc1 ZINC000596648253 348604303 /nfs/dbraw/zinc/60/43/03/348604303.db2.gz NHHKDUIIQRRGHK-GFCCVEGCSA-N 1 0 243.354 2.480 20 30 BEEDRO C[C@@H]([NH3+])C[C@@H](C)NCC1(C#N)CCCCC1 ZINC000596650387 348605900 /nfs/dbraw/zinc/60/59/00/348605900.db2.gz HTLJYMFDYOPYSR-VXGBXAGGSA-N 1 0 223.364 2.176 20 30 BEEDRO C[C@H](NCC1(C#N)CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000596652295 348606139 /nfs/dbraw/zinc/60/61/39/348606139.db2.gz PDSWMWRVUOPAKA-STQMWFEESA-N 1 0 235.375 2.191 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000597064760 348654693 /nfs/dbraw/zinc/65/46/93/348654693.db2.gz WQXIHZBMVPMDPI-VIFPVBQESA-N 1 0 223.272 2.039 20 30 BEEDRO CCCn1nccc1CN1CCC[C@](C)(C#N)C1 ZINC000597080902 348658075 /nfs/dbraw/zinc/65/80/75/348658075.db2.gz VWBOSJXPDFGWFO-CQSZACIVSA-N 1 0 246.358 2.419 20 30 BEEDRO CC(C)(C#N)C[NH2+]C1CC(CF)(CF)C1 ZINC000597081471 348658133 /nfs/dbraw/zinc/65/81/33/348658133.db2.gz AOBLMNDSWKJVLX-UHFFFAOYSA-N 1 0 216.275 2.214 20 30 BEEDRO CCOC1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000597082898 348658619 /nfs/dbraw/zinc/65/86/19/348658619.db2.gz NPMQTNPJYZCAOP-UNXYVOJBSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597131098 348659919 /nfs/dbraw/zinc/65/99/19/348659919.db2.gz SNBZLBBKDZOTMM-QWHCGFSZSA-N 1 0 236.359 2.473 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)s1 ZINC000597153655 348665254 /nfs/dbraw/zinc/66/52/54/348665254.db2.gz LFAYGWSGUNCEBS-GXFFZTMASA-N 1 0 248.351 2.277 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000597151634 348665532 /nfs/dbraw/zinc/66/55/32/348665532.db2.gz QRDHXNJBSFZKAW-NWDGAFQWSA-N 1 0 222.332 2.083 20 30 BEEDRO Cn1cccc1C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000597172819 348668969 /nfs/dbraw/zinc/66/89/69/348668969.db2.gz FSKSDXICNVZEJK-GFCCVEGCSA-N 1 0 217.316 2.151 20 30 BEEDRO C=CCC1([NH2+][C@H]2CC[C@@H](C#N)C2)CCOCC1 ZINC000597204694 348678604 /nfs/dbraw/zinc/67/86/04/348678604.db2.gz DHOIWBUAPLDIEQ-OLZOCXBDSA-N 1 0 234.343 2.394 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]CCc1ccc(C#N)cc1 ZINC000597179018 348680674 /nfs/dbraw/zinc/68/06/74/348680674.db2.gz RUOSZAZDBAJNQV-SMDDNHRTSA-N 1 0 214.312 2.346 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(=O)OCC)c(C)[nH]1 ZINC000597185527 348683269 /nfs/dbraw/zinc/68/32/69/348683269.db2.gz XHHUFBNPZDGXDW-UHFFFAOYSA-N 1 0 236.315 2.166 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000597220631 348692082 /nfs/dbraw/zinc/69/20/82/348692082.db2.gz IGFOWHMZZIKKJD-KXNHARMFSA-N 1 0 225.332 2.128 20 30 BEEDRO COc1cc(C[N@@H+]2CC[C@H]3C[C@H]3C2)ccc1C#N ZINC000597223872 348694728 /nfs/dbraw/zinc/69/47/28/348694728.db2.gz WCYLNLRCACUXPN-JSGCOSHPSA-N 1 0 242.322 2.409 20 30 BEEDRO CCCn1cc(CN2CC[C@@](C)(C#N)C2)cn1 ZINC000597230091 348697381 /nfs/dbraw/zinc/69/73/81/348697381.db2.gz PGOHPQPSAUTVHR-ZDUSSCGKSA-N 1 0 232.331 2.029 20 30 BEEDRO CCn1nc(C)c(CN2CC[C@@](C)(C#N)C2)c1C ZINC000597230189 348697791 /nfs/dbraw/zinc/69/77/91/348697791.db2.gz QOAXCFAERSQLDB-AWEZNQCLSA-N 1 0 246.358 2.255 20 30 BEEDRO COC1(C[N@@H+]2CC[C@](C)(C#N)C2)CCCC1 ZINC000597229475 348697910 /nfs/dbraw/zinc/69/79/10/348697910.db2.gz AVXDKULJUXPICC-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO COc1ccccc1CN1CC[C@](C)(C#N)C1 ZINC000597231593 348699959 /nfs/dbraw/zinc/69/99/59/348699959.db2.gz ZLUOZSMKMQNUTD-CQSZACIVSA-N 1 0 230.311 2.431 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000401939994 348779266 /nfs/dbraw/zinc/77/92/66/348779266.db2.gz FNKJAHDPNCNRIR-SUNKGSAMSA-N 1 0 230.311 2.386 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421712863 192376466 /nfs/dbraw/zinc/37/64/66/192376466.db2.gz RNTLFQBCOCRBHF-JSGCOSHPSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(C)c1C ZINC000184283228 348796852 /nfs/dbraw/zinc/79/68/52/348796852.db2.gz OHJQKZUDIMRTAM-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO CC(C)(CO)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266160802 192373642 /nfs/dbraw/zinc/37/36/42/192373642.db2.gz NNJYTCCUIMPZHR-UHFFFAOYSA-N 1 0 236.315 2.040 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(Cl)c1 ZINC000184271418 348758171 /nfs/dbraw/zinc/75/81/71/348758171.db2.gz PLJDKWBVFBOITP-LBPRGKRZSA-N 1 0 225.719 2.367 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc2ccccc2o1 ZINC000184273970 348766363 /nfs/dbraw/zinc/76/63/63/348766363.db2.gz AJVOEKZXTHCZJQ-GFCCVEGCSA-N 1 0 231.295 2.459 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C)c(C)c1 ZINC000184274479 348766492 /nfs/dbraw/zinc/76/64/92/348766492.db2.gz BIVCFQDJVITBKW-AWEZNQCLSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421712864 192376869 /nfs/dbraw/zinc/37/68/69/192376869.db2.gz RNTLFQBCOCRBHF-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO COCC(C)(C)C[N@H+](C)CC(C)(C)C#N ZINC000354018930 348804198 /nfs/dbraw/zinc/80/41/98/348804198.db2.gz SXZGZQFSQXAXNL-UHFFFAOYSA-N 1 0 212.337 2.141 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CSC2)cc1Cl ZINC000308861492 348909100 /nfs/dbraw/zinc/90/91/00/348909100.db2.gz BNXUIFWVMPCARJ-UHFFFAOYSA-N 1 0 238.743 2.417 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)c1cccnc1 ZINC000598599190 348992785 /nfs/dbraw/zinc/99/27/85/348992785.db2.gz HHRSSMCLDQJQPR-YPMHNXCESA-N 1 0 247.342 2.033 20 30 BEEDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CC(C)(C)C#N ZINC000598586513 348995795 /nfs/dbraw/zinc/99/57/95/348995795.db2.gz HOUVAKZTVNTIGD-AWEZNQCLSA-N 1 0 246.354 2.419 20 30 BEEDRO CC[C@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598588086 348995947 /nfs/dbraw/zinc/99/59/47/348995947.db2.gz ZFVWDHIHRSVSRF-QWHCGFSZSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1C[C@H](O)CC(C)(C)C#N ZINC000598592456 348998435 /nfs/dbraw/zinc/99/84/35/348998435.db2.gz IYPWNEFBFHAOBU-IJLUTSLNSA-N 1 0 224.348 2.160 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598592455 348998438 /nfs/dbraw/zinc/99/84/38/348998438.db2.gz IYPWNEFBFHAOBU-GRYCIOLGSA-N 1 0 224.348 2.160 20 30 BEEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1C ZINC000598592893 348998463 /nfs/dbraw/zinc/99/84/63/348998463.db2.gz OBEWXQXSAOXWAW-FRRDWIJNSA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000598592894 348998552 /nfs/dbraw/zinc/99/85/52/348998552.db2.gz MVFMZKVNSITRSL-FRRDWIJNSA-N 1 0 236.359 2.019 20 30 BEEDRO CC[C@]1(C)CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598593610 348998795 /nfs/dbraw/zinc/99/87/95/348998795.db2.gz TYICXQKYQOWHBD-GXTWGEPZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C(C1CC1)C1CC1 ZINC000598612728 349000623 /nfs/dbraw/zinc/00/06/23/349000623.db2.gz RYWBXNDUDSVGMK-GFCCVEGCSA-N 1 0 236.359 2.065 20 30 BEEDRO C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598613039 349000703 /nfs/dbraw/zinc/00/07/03/349000703.db2.gz VGBUVIFNZZJVMB-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)C(C)C ZINC000598622699 349003911 /nfs/dbraw/zinc/00/39/11/349003911.db2.gz NCAFBEJWDQCGER-LBPRGKRZSA-N 1 0 226.364 2.408 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598627624 349004574 /nfs/dbraw/zinc/00/45/74/349004574.db2.gz FWHYFCLHVHBJOB-NEPJUHHUSA-N 1 0 224.348 2.065 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598600225 349005026 /nfs/dbraw/zinc/00/50/26/349005026.db2.gz IPEHPGISUFGBCE-TUAOUCFPSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000598601958 349005866 /nfs/dbraw/zinc/00/58/66/349005866.db2.gz XZJBVOZWDACCKO-QWHCGFSZSA-N 1 0 236.359 2.019 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000598601957 349006192 /nfs/dbraw/zinc/00/61/92/349006192.db2.gz XZJBVOZWDACCKO-OLZOCXBDSA-N 1 0 236.359 2.019 20 30 BEEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598609667 349007253 /nfs/dbraw/zinc/00/72/53/349007253.db2.gz UFZVYVSKFWHMOH-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000598647361 349011269 /nfs/dbraw/zinc/01/12/69/349011269.db2.gz LCPKTQAYGVNSBP-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO CCOc1cncc(CN[C@@H](CC)CC#N)c1 ZINC000598674351 349019498 /nfs/dbraw/zinc/01/94/98/349019498.db2.gz RCPSXEGGJSBCIP-LBPRGKRZSA-N 1 0 233.315 2.262 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598702603 349022352 /nfs/dbraw/zinc/02/23/52/349022352.db2.gz VZCHQLQJJCIKOX-VXGBXAGGSA-N 1 0 224.348 2.017 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000598704230 349022398 /nfs/dbraw/zinc/02/23/98/349022398.db2.gz MUBXXHWVHIBXKR-CYBMUJFWSA-N 1 0 232.327 2.077 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cccs1 ZINC000598703097 349022669 /nfs/dbraw/zinc/02/26/69/349022669.db2.gz CESHWPUTHSVQAQ-JTQLQIEISA-N 1 0 238.356 2.138 20 30 BEEDRO CCC1(CC)C[NH+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598705407 349022864 /nfs/dbraw/zinc/02/28/64/349022864.db2.gz JCZHABALZHRRDD-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598718052 349026452 /nfs/dbraw/zinc/02/64/52/349026452.db2.gz BXJKKCPFSFAGLV-AVGNSLFASA-N 1 0 238.375 2.455 20 30 BEEDRO CCC[C@@H](CC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721106 349027716 /nfs/dbraw/zinc/02/77/16/349027716.db2.gz SJNLZPOAEBZISO-NEPJUHHUSA-N 1 0 226.364 2.455 20 30 BEEDRO CCC[C@H](CC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721107 349027886 /nfs/dbraw/zinc/02/78/86/349027886.db2.gz SJNLZPOAEBZISO-NWDGAFQWSA-N 1 0 226.364 2.455 20 30 BEEDRO C[C@H](CCC1CC1)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598723311 349028597 /nfs/dbraw/zinc/02/85/97/349028597.db2.gz GELFHBJMNGAPST-YPMHNXCESA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000598722960 349028611 /nfs/dbraw/zinc/02/86/11/349028611.db2.gz FBTZCLZDEZGVIB-RYUDHWBXSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(C)CCC1 ZINC000598723238 349028757 /nfs/dbraw/zinc/02/87/57/349028757.db2.gz FPLUIUAFFQHSFL-NSHDSACASA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727802 349029865 /nfs/dbraw/zinc/02/98/65/349029865.db2.gz JCLLORNLRUOWHA-XQQFMLRXSA-N 1 0 238.375 2.169 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1F ZINC000598727293 349030020 /nfs/dbraw/zinc/03/00/20/349030020.db2.gz FYAUQDZBALOLOX-QJPTWQEYSA-N 1 0 242.338 2.157 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000334795307 349056196 /nfs/dbraw/zinc/05/61/96/349056196.db2.gz GNOGUKWZKSAVOE-QWHCGFSZSA-N 1 0 209.333 2.045 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1CCCC1 ZINC000598700390 349033183 /nfs/dbraw/zinc/03/31/83/349033183.db2.gz MOQKIGNAKAJNOB-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CC2(C1)CCCC2 ZINC000598700216 349033463 /nfs/dbraw/zinc/03/34/63/349033463.db2.gz AYUDBKHSHITJNK-LBPRGKRZSA-N 1 0 236.359 2.163 20 30 BEEDRO CC(C)(C)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598701252 349034121 /nfs/dbraw/zinc/03/41/21/349034121.db2.gz SYXMCNRAOOMHPK-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598700918 349034249 /nfs/dbraw/zinc/03/42/49/349034249.db2.gz RQFKWANZSNZAOA-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO CCn1ccnc1[C@@H](C)NC(=O)CC(C)(C)C#N ZINC000598738966 349035975 /nfs/dbraw/zinc/03/59/75/349035975.db2.gz RSCWBIKABYTTTA-SNVBAGLBSA-N 1 0 248.330 2.020 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]CC(C)(C)CCC#N ZINC000598996076 349073447 /nfs/dbraw/zinc/07/34/47/349073447.db2.gz BERYNFHKVSQYEN-YPMHNXCESA-N 1 0 224.348 2.473 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CC#N)ccn1 ZINC000598982467 349076622 /nfs/dbraw/zinc/07/66/22/349076622.db2.gz ZBUGLDYHDHEENA-UHFFFAOYSA-N 1 0 217.316 2.420 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000599018053 349082702 /nfs/dbraw/zinc/08/27/02/349082702.db2.gz TYIWSQWQTYMUCO-TXEJJXNPSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCCO1 ZINC000599054100 349084651 /nfs/dbraw/zinc/08/46/51/349084651.db2.gz WEQPYOUGQWBELX-XQHKEYJVSA-N 1 0 222.332 2.226 20 30 BEEDRO CCO[C@H]1C[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000309045158 323205416 /nfs/dbraw/zinc/20/54/16/323205416.db2.gz NZLDDYVOUWNNJS-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599068771 349087251 /nfs/dbraw/zinc/08/72/51/349087251.db2.gz OZFAIOMXWZBEIJ-YNEHKIRRSA-N 1 0 224.348 2.065 20 30 BEEDRO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000599093391 349092921 /nfs/dbraw/zinc/09/29/21/349092921.db2.gz XWVKHUIKBYZKHM-WUHRBBMRSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC1CC[NH+](CCCCC(=O)OC)CC1 ZINC000599291907 349149046 /nfs/dbraw/zinc/14/90/46/349149046.db2.gz VOJFCKXCDXMLDG-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO Cc1ccc(CN2CCC[N@@H+](C)CC2)cc1C#N ZINC000599256743 349132339 /nfs/dbraw/zinc/13/23/39/349132339.db2.gz DTYGLMWIKQRCAD-UHFFFAOYSA-N 1 0 243.354 2.004 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1C#N ZINC000599257249 349132604 /nfs/dbraw/zinc/13/26/04/349132604.db2.gz KIECKYBUSYMOON-AWEZNQCLSA-N 1 0 244.338 2.071 20 30 BEEDRO Cc1ccc(CN2C[C@H](C)OC[C@H]2C)cc1C#N ZINC000599258565 349133341 /nfs/dbraw/zinc/13/33/41/349133341.db2.gz PUNPYYZIYLXMAN-OLZOCXBDSA-N 1 0 244.338 2.476 20 30 BEEDRO C[C@@H](NCc1cccc(C#N)c1)[C@H]1CCCC[NH2+]1 ZINC000386088860 362939313 /nfs/dbraw/zinc/93/93/13/362939313.db2.gz HVCYWBRJGWURNB-IUODEOHRSA-N 1 0 243.354 2.178 20 30 BEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CC1)CC1CCCC1 ZINC000599275030 349137256 /nfs/dbraw/zinc/13/72/56/349137256.db2.gz KBRXOAIVLDRDFK-ZDUSSCGKSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(CO)CC1 ZINC000449581273 201977690 /nfs/dbraw/zinc/97/76/90/201977690.db2.gz YFRCKKDDVJGQQT-VXGBXAGGSA-N 1 0 211.349 2.339 20 30 BEEDRO CCC1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)COC1 ZINC000449596710 201977846 /nfs/dbraw/zinc/97/78/46/201977846.db2.gz CFKIDLXZXBRSSO-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO Cc1ccc(C[N@@H+](C)C(C)(C)CO)cc1C#N ZINC000599305766 349142899 /nfs/dbraw/zinc/14/28/99/349142899.db2.gz VJKANPRQKKQEAR-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000421866466 192397070 /nfs/dbraw/zinc/39/70/70/192397070.db2.gz AKOSDRWYIYUIMF-JOYOIKCWSA-N 1 0 236.290 2.119 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000599427076 349185559 /nfs/dbraw/zinc/18/55/59/349185559.db2.gz YNAPOAVGWMGGFZ-HOAMVYINSA-N 1 0 248.370 2.209 20 30 BEEDRO CC#CCC[N@H+](C)C1Cc2ccccc2C1 ZINC000274040925 192399820 /nfs/dbraw/zinc/39/98/20/192399820.db2.gz CZFYSUQACZZKDZ-UHFFFAOYSA-N 1 0 213.324 2.499 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421835928 192390768 /nfs/dbraw/zinc/39/07/68/192390768.db2.gz GANMJRFEVQIRQY-CYBMUJFWSA-N 1 0 229.327 2.222 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1C#N ZINC000599384637 349164662 /nfs/dbraw/zinc/16/46/62/349164662.db2.gz AOGQFEOLYHPJOM-SWLSCSKDSA-N 1 0 244.338 2.381 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)c(C#N)c2)C1 ZINC000599415815 349167086 /nfs/dbraw/zinc/16/70/86/349167086.db2.gz RPYHXLMOXPABAR-GASCZTMLSA-N 1 0 244.338 2.476 20 30 BEEDRO N#CC1(C[C@H](O)C[NH+]2CCC3(CCC3)CC2)CC1 ZINC000599416125 349167380 /nfs/dbraw/zinc/16/73/80/349167380.db2.gz CPWJWVZIIIAAON-ZDUSSCGKSA-N 1 0 248.370 2.307 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCCCC(=O)OC ZINC000599396557 349171584 /nfs/dbraw/zinc/17/15/84/349171584.db2.gz PTIOYIHDUBAUTF-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCCCC(=O)OC ZINC000599396556 349171858 /nfs/dbraw/zinc/17/18/58/349171858.db2.gz PTIOYIHDUBAUTF-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccncc1Cl ZINC000421843977 192393494 /nfs/dbraw/zinc/39/34/94/192393494.db2.gz SCOONROEFRQDLA-ZJUUUORDSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](CC(=O)OC(C)(C)C)C1 ZINC000599526092 349208006 /nfs/dbraw/zinc/20/80/06/349208006.db2.gz DNEVBTXXWHTBCH-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)co2)C1 ZINC000599526840 349208725 /nfs/dbraw/zinc/20/87/25/349208725.db2.gz UTXVGYUPLQICNX-NSHDSACASA-N 1 0 249.310 2.464 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccc(O)cc3C2)C1 ZINC000599537056 349212506 /nfs/dbraw/zinc/21/25/06/349212506.db2.gz XVOFRGQIHHMZFD-ZWNOBZJWSA-N 1 0 228.295 2.400 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599590740 349221595 /nfs/dbraw/zinc/22/15/95/349221595.db2.gz YHACOWQLPOAJMV-RYUDHWBXSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599590738 349222197 /nfs/dbraw/zinc/22/21/97/349222197.db2.gz YHACOWQLPOAJMV-NEPJUHHUSA-N 1 0 239.359 2.472 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)CC1(C)COC1 ZINC000599571261 349223536 /nfs/dbraw/zinc/22/35/36/349223536.db2.gz ADIMAGAMPIGIOK-UHFFFAOYSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCC1([NH2+]CCC(=O)OC)CCCCC1 ZINC000599613221 349228194 /nfs/dbraw/zinc/22/81/94/349228194.db2.gz KRIOKYHNMSOESS-UHFFFAOYSA-N 1 0 225.332 2.418 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@@H]21 ZINC000599655667 349235533 /nfs/dbraw/zinc/23/55/33/349235533.db2.gz XOCSAVHZJUATCP-AVGNSLFASA-N 1 0 237.343 2.226 20 30 BEEDRO Cc1ccc(C[NH2+][C@H](CO)C2CCC2)cc1C#N ZINC000599470793 349194311 /nfs/dbraw/zinc/19/43/11/349194311.db2.gz WVRHINZZEQMERD-OAHLLOKOSA-N 1 0 244.338 2.117 20 30 BEEDRO COc1ccc(OC)c(C[NH2+]CCCC#N)c1 ZINC000211907711 349290071 /nfs/dbraw/zinc/29/00/71/349290071.db2.gz UVIJVCNGEPCJAB-UHFFFAOYSA-N 1 0 234.299 2.097 20 30 BEEDRO CCC(O)(CC)C[N@H+](C)CCCCC#N ZINC000599672549 349241072 /nfs/dbraw/zinc/24/10/72/349241072.db2.gz FSHMIIKXCSIJCH-UHFFFAOYSA-N 1 0 212.337 2.163 20 30 BEEDRO C=C(C)C[NH2+][C@@H](COC)c1ccc(C)o1 ZINC000184679670 349279221 /nfs/dbraw/zinc/27/92/21/349279221.db2.gz DVOUKWOLWFTJFE-NSHDSACASA-N 1 0 209.289 2.441 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC#N)C12CCCC2 ZINC000082945654 349348266 /nfs/dbraw/zinc/34/82/66/349348266.db2.gz PYSJBPBUBQIQIG-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CCC(C)(C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000601969523 349406895 /nfs/dbraw/zinc/40/68/95/349406895.db2.gz URWMBZMVJVEBHD-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000309050093 349407029 /nfs/dbraw/zinc/40/70/29/349407029.db2.gz QNPVKWHEROMYAM-WOPDTQHZSA-N 1 0 229.389 2.187 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCCC12CC2 ZINC000601934360 349388080 /nfs/dbraw/zinc/38/80/80/349388080.db2.gz LSECJGYEMWCQHK-RYUDHWBXSA-N 1 0 217.316 2.352 20 30 BEEDRO C=CCC(C)(C)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000563094156 350011728 /nfs/dbraw/zinc/01/17/28/350011728.db2.gz ZZDOYDOZRQEPKX-QWRGUYRKSA-N 1 0 241.379 2.014 20 30 BEEDRO C=C(CC)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000309125840 350078578 /nfs/dbraw/zinc/07/85/78/350078578.db2.gz PNVGXORGKKMVBY-UHFFFAOYSA-N 1 0 207.321 2.211 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000302358185 350080653 /nfs/dbraw/zinc/08/06/53/350080653.db2.gz JPRAKHSWFVAKTN-CQSZACIVSA-N 1 0 249.354 2.291 20 30 BEEDRO Cc1nc(NCC2([NH+](C)C)CCC2)ccc1C#N ZINC000291827348 180016895 /nfs/dbraw/zinc/01/68/95/180016895.db2.gz GFXCIVRJUUPFHP-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1ccccc1OC ZINC000088162748 187438790 /nfs/dbraw/zinc/43/87/90/187438790.db2.gz MOKROLHJNJJJAH-NSHDSACASA-N 1 0 203.285 2.369 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)c2ccccc2)CC1 ZINC000132349184 191031985 /nfs/dbraw/zinc/03/19/85/191031985.db2.gz XAFXPJKPKCDNNN-UHFFFAOYSA-N 1 0 244.338 2.021 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CCCCC#N)C1(C)C ZINC000132729017 191034989 /nfs/dbraw/zinc/03/49/89/191034989.db2.gz GATFQWMKNWKGNA-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427052407 191052381 /nfs/dbraw/zinc/05/23/81/191052381.db2.gz GBBQHBPZAFQYGS-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)[C@@H](C#N)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000609487240 350175269 /nfs/dbraw/zinc/17/52/69/350175269.db2.gz YVJMSKFOZHUDBS-HUUCEWRRSA-N 1 0 247.386 2.261 20 30 BEEDRO CC(C)[C@H](C#N)N1CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000609487238 350175450 /nfs/dbraw/zinc/17/54/50/350175450.db2.gz YVJMSKFOZHUDBS-CABCVRRESA-N 1 0 247.386 2.261 20 30 BEEDRO C=C(C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427202032 191057129 /nfs/dbraw/zinc/05/71/29/191057129.db2.gz AAENQUGQMLUUJT-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC#CCC[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000155070748 191080004 /nfs/dbraw/zinc/08/00/04/191080004.db2.gz QKYKIONBTGMRHS-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C)nc1 ZINC000156243936 191084477 /nfs/dbraw/zinc/08/44/77/191084477.db2.gz HWPKAUOIAFSDLU-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000161707392 350274305 /nfs/dbraw/zinc/27/43/05/350274305.db2.gz SOTORPAGKWUZGE-HNNXBMFYSA-N 1 0 230.355 2.427 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)C1([NH+](C)C)CCCC1 ZINC001639668808 1172126848 /nfs/dbraw/zinc/12/68/48/1172126848.db2.gz LKHRRTJINXKGEI-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO CC#CCC[NH+]1CCC(C(F)F)CC1 ZINC000336674959 350434462 /nfs/dbraw/zinc/43/44/62/350434462.db2.gz TXBVAIRKFPUILY-UHFFFAOYSA-N 1 0 201.260 2.377 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000336676235 350437941 /nfs/dbraw/zinc/43/79/41/350437941.db2.gz MUMBLRBJAKVMRB-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO CCC[N@H+](CCCSCC#N)CC(C)(C)O ZINC000336676228 350438401 /nfs/dbraw/zinc/43/84/01/350438401.db2.gz MUHMECOIYAGSPN-UHFFFAOYSA-N 1 0 244.404 2.116 20 30 BEEDRO COCCCC[N@H+](C[C@H](C)C#N)C1CC1 ZINC000336643425 350414888 /nfs/dbraw/zinc/41/48/88/350414888.db2.gz CFFILFPKOJWEIK-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](O)CC[N@H+](CCC#N)CC(C)(C)C ZINC000336649294 350418162 /nfs/dbraw/zinc/41/81/62/350418162.db2.gz QTNWZBFYFWBBCV-LLVKDONJSA-N 1 0 212.337 2.019 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1cccc(F)c1C#N ZINC000428221215 191103140 /nfs/dbraw/zinc/10/31/40/191103140.db2.gz JOZUFHPJNNIPDW-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C=CCC[N@H+](C)CCCCn1ccnc1C ZINC000336665333 350426953 /nfs/dbraw/zinc/42/69/53/350426953.db2.gz HAFIYCAMFQJQOE-UHFFFAOYSA-N 1 0 221.348 2.480 20 30 BEEDRO CC(C)[N@@H+](CCCC(C)(C)C#N)C[C@@H](C)O ZINC000336661402 350429416 /nfs/dbraw/zinc/42/94/16/350429416.db2.gz BOZGUNCMKBDGQN-GFCCVEGCSA-N 1 0 226.364 2.408 20 30 BEEDRO CO[C@@H]1CC[N@H+](CCCSCC#N)[C@@H](C)C1 ZINC000336668550 350429421 /nfs/dbraw/zinc/42/94/21/350429421.db2.gz PDPFKXVSFCAQFC-NWDGAFQWSA-N 1 0 242.388 2.133 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000336687980 350444438 /nfs/dbraw/zinc/44/44/38/350444438.db2.gz YCBLZLKKOFBJGD-CHWSQXEVSA-N 1 0 222.332 2.039 20 30 BEEDRO COC[C@H]([NH2+][C@@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000397277280 350455902 /nfs/dbraw/zinc/45/59/02/350455902.db2.gz QLYBUMQXODGXOO-UPJWGTAASA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](C#N)CN(CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000336701556 350458361 /nfs/dbraw/zinc/45/83/61/350458361.db2.gz LSLGNHPNOPRRBX-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO N#CCCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000336708052 350460161 /nfs/dbraw/zinc/46/01/61/350460161.db2.gz OZRAFHRPJTUWFA-UHFFFAOYSA-N 1 0 230.311 2.444 20 30 BEEDRO CC(C)(C#N)CCCC[N@H+](CCO)CC1CC1 ZINC000336708549 350460959 /nfs/dbraw/zinc/46/09/59/350460959.db2.gz XPGWUXPQBZHBHP-UHFFFAOYSA-N 1 0 238.375 2.411 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]CCCCC#N ZINC000167258190 180379484 /nfs/dbraw/zinc/37/94/84/180379484.db2.gz UKCBWANMFHCCRF-SNVBAGLBSA-N 1 0 220.320 2.073 20 30 BEEDRO C[C@H](O)CCCN(CCC#N)Cc1ccco1 ZINC000336726384 350483450 /nfs/dbraw/zinc/48/34/50/350483450.db2.gz VLYYKJULTJCOFG-LBPRGKRZSA-N 1 0 236.315 2.156 20 30 BEEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CCCCC#N ZINC000163118876 350505470 /nfs/dbraw/zinc/50/54/70/350505470.db2.gz NZZUZYMLSZKQCN-CHWSQXEVSA-N 1 0 224.348 2.306 20 30 BEEDRO C=CC[C@H](CC)NC(=O)C[NH+]1CCC(C)CC1 ZINC000337102928 350554028 /nfs/dbraw/zinc/55/40/28/350554028.db2.gz XOUBOCXWTSTVPT-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCN1CC[C@@H]([N@H+](CC(C)C)C(C)C)C1=O ZINC000337121609 350557917 /nfs/dbraw/zinc/55/79/17/350557917.db2.gz ANDFNCPWXGZQPL-CYBMUJFWSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCC[N@@H+]1CCOc2ccccc2C1 ZINC000606897023 350621270 /nfs/dbraw/zinc/62/12/70/350621270.db2.gz GLNJCCDFCMJVPZ-UHFFFAOYSA-N 1 0 203.285 2.457 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000222615578 490650384 /nfs/dbraw/zinc/65/03/84/490650384.db2.gz HXIJYDWPDCGRCA-XHNCKOQMSA-N 1 0 225.254 2.100 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)c1cccc(F)c1 ZINC000289888411 350674488 /nfs/dbraw/zinc/67/44/88/350674488.db2.gz SKRPNTIXBIOXTN-STQMWFEESA-N 1 0 223.291 2.413 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cn2ccccc2n1 ZINC000575195098 350677047 /nfs/dbraw/zinc/67/70/47/350677047.db2.gz BIWVPSAZSOOPOR-NSHDSACASA-N 1 0 228.299 2.289 20 30 BEEDRO N#CCCC[NH2+]CC1Cc2ccccc2C1 ZINC000309516295 350694598 /nfs/dbraw/zinc/69/45/98/350694598.db2.gz RREKNVAZVMLINU-UHFFFAOYSA-N 1 0 214.312 2.295 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000273189036 166330446 /nfs/dbraw/zinc/33/04/46/166330446.db2.gz GODRBFAMAGQFQW-GFCCVEGCSA-N 1 0 238.375 2.354 20 30 BEEDRO C=CCOCC[NH+]1CCC([C@H]2CCCO2)CC1 ZINC000339109951 350734208 /nfs/dbraw/zinc/73/42/08/350734208.db2.gz BNYDENNXFYILCT-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO CC#CC[N@@H+](C)CCCOc1ccc(OC)cc1 ZINC000339764614 350824003 /nfs/dbraw/zinc/82/40/03/350824003.db2.gz VWEWDNQIGBWHQS-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO N#CCC1(CN2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000382508298 350852571 /nfs/dbraw/zinc/85/25/71/350852571.db2.gz WOQYZTLTROEPFS-CQSZACIVSA-N 1 0 247.386 2.240 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](CO)C1CC1)C1CC1 ZINC000336683306 350910908 /nfs/dbraw/zinc/91/09/08/350910908.db2.gz QCHURRCLHSOZLY-KBPBESRZSA-N 1 0 223.360 2.339 20 30 BEEDRO C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H](CC#N)C2)O1 ZINC000397571592 350920767 /nfs/dbraw/zinc/92/07/67/350920767.db2.gz BZVWLLJHHLHPTQ-JHJVBQTASA-N 1 0 222.332 2.180 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000397581522 350930637 /nfs/dbraw/zinc/93/06/37/350930637.db2.gz FXSRWFUUPICKHE-STQMWFEESA-N 1 0 222.332 2.181 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000397586396 350930788 /nfs/dbraw/zinc/93/07/88/350930788.db2.gz ARHLXYPQEGAMAM-CYBMUJFWSA-N 1 0 229.327 2.250 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000129197429 351007183 /nfs/dbraw/zinc/00/71/83/351007183.db2.gz AWDRAWWRDDMCRL-SNVBAGLBSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)OC ZINC000397831338 350976602 /nfs/dbraw/zinc/97/66/02/350976602.db2.gz WZFSNEBVHBBICF-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC(O)(CC)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336740784 191127889 /nfs/dbraw/zinc/12/78/89/191127889.db2.gz QNAXJARTYWJQOG-NEPJUHHUSA-N 1 0 224.348 2.209 20 30 BEEDRO COc1ccc(OCC[N@H+](C)CCCC#N)cc1 ZINC000052661105 351065358 /nfs/dbraw/zinc/06/53/58/351065358.db2.gz KVYAOMYUUBWCRH-UHFFFAOYSA-N 1 0 248.326 2.310 20 30 BEEDRO COCC1(CNC(=[NH2+])Nc2ccccc2)CCC1 ZINC000283731151 351025118 /nfs/dbraw/zinc/02/51/18/351025118.db2.gz CHXPVVRCUZQLGC-UHFFFAOYSA-N 1 0 247.342 2.230 20 30 BEEDRO C=CCCCN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000389904602 351052403 /nfs/dbraw/zinc/05/24/03/351052403.db2.gz GHLSNODUQJQJPU-CYBMUJFWSA-N 1 0 210.365 2.415 20 30 BEEDRO C=CCCCN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000389904603 351052429 /nfs/dbraw/zinc/05/24/29/351052429.db2.gz GHLSNODUQJQJPU-ZDUSSCGKSA-N 1 0 210.365 2.415 20 30 BEEDRO CC#CCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000364032041 191128709 /nfs/dbraw/zinc/12/87/09/191128709.db2.gz XTJMXRIDMJNEIS-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CC1CC[NH+](Cc2nccn2CC)CC1 ZINC000111257343 191130278 /nfs/dbraw/zinc/13/02/78/191130278.db2.gz XCTRZPXVUAIIEX-UHFFFAOYSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CC[NH2+]Cc1ccc(OC)c(OC)c1C ZINC000336715832 351108660 /nfs/dbraw/zinc/10/86/60/351108660.db2.gz VSICVSVYOLRBNB-UHFFFAOYSA-N 1 0 221.300 2.288 20 30 BEEDRO CC(C)OCCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336722852 351219032 /nfs/dbraw/zinc/21/90/32/351219032.db2.gz AYVAKGXEXGVSFY-OLZOCXBDSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H](C)c1ccc(C)cc1 ZINC000628352555 351316242 /nfs/dbraw/zinc/31/62/42/351316242.db2.gz MRNIQCNFGCSOPR-GXTWGEPZSA-N 1 0 219.328 2.235 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353252036 535160053 /nfs/dbraw/zinc/16/00/53/535160053.db2.gz IUARZTLXUHPBDR-LSDHHAIUSA-N 1 0 244.338 2.152 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000168203225 351340813 /nfs/dbraw/zinc/34/08/13/351340813.db2.gz QMRBFQYGTHGZKY-JGVFFNPUSA-N 1 0 236.178 2.379 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000623592299 363026551 /nfs/dbraw/zinc/02/65/51/363026551.db2.gz FWPVQSBEQQZBFN-UHFFFAOYSA-N 1 0 248.374 2.235 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1cn(C)nc1C ZINC000623592865 363027927 /nfs/dbraw/zinc/02/79/27/363027927.db2.gz FWMRYRLBDSFTMD-UHFFFAOYSA-N 1 0 221.348 2.420 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1c[nH]nc1C ZINC000623592669 363028798 /nfs/dbraw/zinc/02/87/98/363028798.db2.gz WVXOQNDNEGJTBT-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C[N@H+](Cc1ccon1)CC(C)(C)CCC#N ZINC000271202958 351408916 /nfs/dbraw/zinc/40/89/16/351408916.db2.gz QIIHFULHIKWRFT-UHFFFAOYSA-N 1 0 221.304 2.436 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000231930152 351464748 /nfs/dbraw/zinc/46/47/48/351464748.db2.gz NPPIDUQJBVIIKR-UWVGGRQHSA-N 1 0 217.403 2.389 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000386718330 363032831 /nfs/dbraw/zinc/03/28/31/363032831.db2.gz RIAGPEDZFCGYFQ-HNNXBMFYSA-N 1 0 249.354 2.120 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CSC[C@H]1C ZINC000307080846 351469603 /nfs/dbraw/zinc/46/96/03/351469603.db2.gz IWOJMFFHKWHAFM-SVRRBLITSA-N 1 0 236.178 2.236 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)c1cccc(C#N)c1)[C@H](C)O ZINC000386913528 363061427 /nfs/dbraw/zinc/06/14/27/363061427.db2.gz QJBCRUTZHSCEAW-SUNKGSAMSA-N 1 0 232.327 2.368 20 30 BEEDRO C[NH+](C)CCSCc1ccc(C#N)cc1F ZINC000094822711 363062671 /nfs/dbraw/zinc/06/26/71/363062671.db2.gz HSXPZIOBXUDZMF-UHFFFAOYSA-N 1 0 238.331 2.492 20 30 BEEDRO Cc1ncc([C@@H](C)[NH2+]CCCC#N)c(C)n1 ZINC000273288824 351515428 /nfs/dbraw/zinc/51/54/28/351515428.db2.gz RXIJYVBMQHPNHI-SECBINFHSA-N 1 0 218.304 2.048 20 30 BEEDRO CN(C(=[NH2+])NCCSc1ccccc1)C1CC1 ZINC000273340705 351519234 /nfs/dbraw/zinc/51/92/34/351519234.db2.gz NBRGTABZBONOEG-UHFFFAOYSA-N 1 0 249.383 2.188 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](O)C(F)(F)F ZINC000336730648 351611570 /nfs/dbraw/zinc/61/15/70/351611570.db2.gz DTSBZQBHTAOGGF-AEJSXWLSSA-N 1 0 239.281 2.490 20 30 BEEDRO CCn1cc([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000274645166 351575786 /nfs/dbraw/zinc/57/57/86/351575786.db2.gz RVWJEMSMSXPMRL-LOWVWBTDSA-N 1 0 232.331 2.246 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000336730659 351612218 /nfs/dbraw/zinc/61/22/18/351612218.db2.gz DTSBZQBHTAOGGF-LPEHRKFASA-N 1 0 239.281 2.490 20 30 BEEDRO C#CC[N@H+](C)CCCNc1ncccc1Cl ZINC000292656971 351588306 /nfs/dbraw/zinc/58/83/06/351588306.db2.gz CBTMLDMCIYAEOC-UHFFFAOYSA-N 1 0 237.734 2.102 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)Cc1cccnc1 ZINC000276364455 351617987 /nfs/dbraw/zinc/61/79/87/351617987.db2.gz ZMSCZKQDXALQPH-LLVKDONJSA-N 1 0 203.289 2.206 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)Cc1cccnc1 ZINC000276364458 351618582 /nfs/dbraw/zinc/61/85/82/351618582.db2.gz ZMSCZKQDXALQPH-NSHDSACASA-N 1 0 203.289 2.206 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@](C)(OC)C1CC1 ZINC000637833788 351683979 /nfs/dbraw/zinc/68/39/79/351683979.db2.gz XAGWKOXIXRWYHH-CYBMUJFWSA-N 1 0 209.333 2.476 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c[nH]c2ncncc12 ZINC000637837817 351692120 /nfs/dbraw/zinc/69/21/20/351692120.db2.gz LQNBNHFJEOLCNI-UHFFFAOYSA-N 1 0 230.315 2.308 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000577766880 366057586 /nfs/dbraw/zinc/05/75/86/366057586.db2.gz MECSNNQNTOGKTF-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO CCc1cccc(NC(=[NH2+])NCCC[C@H](C)O)c1 ZINC000278866178 351787783 /nfs/dbraw/zinc/78/77/83/351787783.db2.gz VKRCSEPCGHIJBM-NSHDSACASA-N 1 0 249.358 2.137 20 30 BEEDRO C[N@H+](Cc1ccco1)[C@@H]1CC[C@@H](C#N)C1 ZINC000278539680 351768786 /nfs/dbraw/zinc/76/87/86/351768786.db2.gz GCNZOEGVAHUMLN-GHMZBOCLSA-N 1 0 204.273 2.404 20 30 BEEDRO CCN(CCC#N)CC[N@H+](C)Cc1ccccc1 ZINC000278560586 351770478 /nfs/dbraw/zinc/77/04/78/351770478.db2.gz IISBMEKQRAGXKU-UHFFFAOYSA-N 1 0 245.370 2.354 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]CC(C)(C)C#N)OC ZINC000405127888 351856523 /nfs/dbraw/zinc/85/65/23/351856523.db2.gz BSFOBCGWZJBGMG-GHMZBOCLSA-N 1 0 212.337 2.187 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]CC(C)(C)C#N)OC ZINC000405127891 351856810 /nfs/dbraw/zinc/85/68/10/351856810.db2.gz BSFOBCGWZJBGMG-WDEREUQCSA-N 1 0 212.337 2.187 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCC1 ZINC000405130169 351858396 /nfs/dbraw/zinc/85/83/96/351858396.db2.gz MVYACTRNCDBHIX-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]CC2(C#N)CCCC2)CCO1 ZINC000405130292 351858587 /nfs/dbraw/zinc/85/85/87/351858587.db2.gz MYKDDSUYGDDTQT-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO Cn1nccc1[C@H]1CCCC[N@@H+]1CCCC#N ZINC000281197792 351879776 /nfs/dbraw/zinc/87/97/76/351879776.db2.gz AIKQSHVEBXFVIT-CYBMUJFWSA-N 1 0 232.331 2.251 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cnccn1 ZINC000282243343 351927979 /nfs/dbraw/zinc/92/79/79/351927979.db2.gz FXHHJYYTQOHYCY-HIFPTAJRSA-N 1 0 244.342 2.457 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cnn(C)c1 ZINC000282336938 351930548 /nfs/dbraw/zinc/93/05/48/351930548.db2.gz OMIFMJFHYLBMMA-PNESKVBLSA-N 1 0 246.358 2.401 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H]([NH3+])CCC(C)C ZINC000638009981 351886973 /nfs/dbraw/zinc/88/69/73/351886973.db2.gz HYFNLQBSXJOSIO-LBPRGKRZSA-N 1 0 226.364 2.175 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCCCc1cccc(C)n1 ZINC000284897252 352009071 /nfs/dbraw/zinc/00/90/71/352009071.db2.gz ADGYRJHYIAXXBD-LLVKDONJSA-N 1 0 248.374 2.025 20 30 BEEDRO C[C@H]1COCC[C@H]1CNC(=[NH2+])Nc1ccccc1 ZINC000284916808 352010307 /nfs/dbraw/zinc/01/03/07/352010307.db2.gz BNRCAMULXMVQNT-RYUDHWBXSA-N 1 0 247.342 2.086 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](OC)C1CCOCC1 ZINC000638100398 351980537 /nfs/dbraw/zinc/98/05/37/351980537.db2.gz ZDMNOKHQGNNAKQ-AWEZNQCLSA-N 1 0 241.375 2.326 20 30 BEEDRO Cn1nccc1C1=CC[N@H+](CCCCC#N)CC1 ZINC000285575058 352050806 /nfs/dbraw/zinc/05/08/06/352050806.db2.gz KNOHBSYCWSEJNN-UHFFFAOYSA-N 1 0 244.342 2.203 20 30 BEEDRO COc1cccc(OC)c1C[NH2+]CCCC#N ZINC000285801290 352059657 /nfs/dbraw/zinc/05/96/57/352059657.db2.gz FUZQINWJXKQPKW-UHFFFAOYSA-N 1 0 234.299 2.097 20 30 BEEDRO C[C@H](CNc1cc(F)ccc1C#N)C[NH+](C)C ZINC001639972902 1172146783 /nfs/dbraw/zinc/14/67/83/1172146783.db2.gz HWAWSVJJVGBJBS-SNVBAGLBSA-N 1 0 235.306 2.307 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000286146229 352078267 /nfs/dbraw/zinc/07/82/67/352078267.db2.gz NHIRRMKPOPIDJU-ZDUSSCGKSA-N 1 0 235.302 2.203 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCC(n2ccnc2)CC1 ZINC000618887258 352157914 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ZINC000638400134 352205250 /nfs/dbraw/zinc/20/52/50/352205250.db2.gz HPFSFMCLQPFMCR-BNOWGMLFSA-N 1 0 248.370 2.285 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638400149 352205431 /nfs/dbraw/zinc/20/54/31/352205431.db2.gz HPFSFMCLQPFMCR-MRVWCRGKSA-N 1 0 248.370 2.285 20 30 BEEDRO C=C(C)C[N@@H+](CC)CCCC(=O)NCCC ZINC000411151964 191164346 /nfs/dbraw/zinc/16/43/46/191164346.db2.gz FBMFAZMDKKEDOC-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000638453863 352266435 /nfs/dbraw/zinc/26/64/35/352266435.db2.gz AYCIGFZBFFANPZ-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)CC[NH2+]C(C)C ZINC000638453931 352266773 /nfs/dbraw/zinc/26/67/73/352266773.db2.gz BYWYITVRJSYWMX-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@](C)([NH3+])CCC ZINC000638454236 352267503 /nfs/dbraw/zinc/26/75/03/352267503.db2.gz DVZXWEKZGHWPLV-CYBMUJFWSA-N 1 0 226.364 2.222 20 30 BEEDRO N#CC1(CC[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000411194324 191168370 /nfs/dbraw/zinc/16/83/70/191168370.db2.gz GSWNSLANJDSYRW-CYBMUJFWSA-N 1 0 236.359 2.307 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](CCC)CC(C)C ZINC000411196298 191169885 /nfs/dbraw/zinc/16/98/85/191169885.db2.gz BHXGQZGZBRSYJK-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638503471 352326197 /nfs/dbraw/zinc/32/61/97/352326197.db2.gz RCDGOPIKYSLXIH-CYBMUJFWSA-N 1 0 248.370 2.156 20 30 BEEDRO CC[NH+](CC)C[C@@H]1CCN([C@@H](C)CCC#N)C1 ZINC000411300910 191175568 /nfs/dbraw/zinc/17/55/68/191175568.db2.gz RAVYIEHOCWGFOA-KBPBESRZSA-N 1 0 237.391 2.342 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000383070553 352340991 /nfs/dbraw/zinc/34/09/91/352340991.db2.gz FSSRHHAWVROVPN-UHFFFAOYSA-N 1 0 232.327 2.415 20 30 BEEDRO CC(C)[NH2+]C1CCN([C@@H](C)CCC#N)CC1 ZINC000411359169 191180389 /nfs/dbraw/zinc/18/03/89/191180389.db2.gz DEDDDPJCNSHJLM-LBPRGKRZSA-N 1 0 223.364 2.141 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411401041 191182471 /nfs/dbraw/zinc/18/24/71/191182471.db2.gz WAZOFCBAPIRIGE-FRRDWIJNSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](CO)[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411399393 191183375 /nfs/dbraw/zinc/18/33/75/191183375.db2.gz GHHIANQREDBWBN-LBPRGKRZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000411406637 191184206 /nfs/dbraw/zinc/18/42/06/191184206.db2.gz JTDWUVUZTAATRL-TZMCWYRMSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H]1C[N@@H+]([C@@H](C)CCC#N)CC[C@H]1C ZINC000411617541 191198396 /nfs/dbraw/zinc/19/83/96/191198396.db2.gz UFVUKXPTGBXVNM-GRYCIOLGSA-N 1 0 210.321 2.035 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CCC#N)[C@H](C)[C@H]1OC ZINC000411634459 191199734 /nfs/dbraw/zinc/19/97/34/191199734.db2.gz USTWVCMQKZQUAE-QJPTWQEYSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCSC[C@H](C)C1 ZINC000411636207 191199772 /nfs/dbraw/zinc/19/97/72/191199772.db2.gz RJEUEMOVZJHUSR-GHMZBOCLSA-N 1 0 212.362 2.364 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CCC#N)[C@H](C)[C@@H]1OC ZINC000411634460 191200342 /nfs/dbraw/zinc/20/03/42/191200342.db2.gz USTWVCMQKZQUAE-TUAOUCFPSA-N 1 0 224.348 2.329 20 30 BEEDRO C[C@H](CCC#N)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000411722517 191206740 /nfs/dbraw/zinc/20/67/40/191206740.db2.gz VDZXOKCYPGWGGU-RDBSUJKOSA-N 1 0 235.375 2.237 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC#N)C1(CC)CC ZINC000411549589 191193948 /nfs/dbraw/zinc/19/39/48/191193948.db2.gz HNOOUWUZQQSNFT-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)O[C@@H]1C[C@@H]([NH2+]CCC#N)C1(C)C ZINC000411802422 191212876 /nfs/dbraw/zinc/21/28/76/191212876.db2.gz NQCORAVWYVZJIZ-GHMZBOCLSA-N 1 0 210.321 2.082 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cccc(F)c1N ZINC000638611357 352449597 /nfs/dbraw/zinc/44/95/97/352449597.db2.gz UIGQJNZLCNOEEY-SECBINFHSA-N 1 0 208.280 2.462 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(CC)cn1 ZINC000411801031 191213427 /nfs/dbraw/zinc/21/34/27/191213427.db2.gz ZZOMOQXVZFMUDE-KGLIPLIRSA-N 1 0 232.327 2.077 20 30 BEEDRO C[C@H](CCC#N)N1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000411763177 191209396 /nfs/dbraw/zinc/20/93/96/191209396.db2.gz YOZOYDZRXGOMGZ-BARDWOONSA-N 1 0 249.402 2.341 20 30 BEEDRO CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)OC ZINC000336742594 352458037 /nfs/dbraw/zinc/45/80/37/352458037.db2.gz XDDOKTMTFTZUGZ-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1cc[nH+]c(NCC2(CC#N)CC2)c1 ZINC000336742655 352458313 /nfs/dbraw/zinc/45/83/13/352458313.db2.gz XINVYTYONZWPGJ-UHFFFAOYSA-N 1 0 201.273 2.496 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000411780643 191209903 /nfs/dbraw/zinc/20/99/03/191209903.db2.gz ALBIVLVQTROOLV-SYQHCUMBSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CCCC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528459049 352498408 /nfs/dbraw/zinc/49/84/08/352498408.db2.gz TXTQIHUVYGUTJP-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(c2ccncn2)CC1 ZINC000411828082 191214983 /nfs/dbraw/zinc/21/49/83/191214983.db2.gz NOFCPIZNDUXBBN-GFCCVEGCSA-N 1 0 244.342 2.348 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411800950 191213675 /nfs/dbraw/zinc/21/36/75/191213675.db2.gz MAPGXJMDHXJODG-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CCOc1cccc(C[N@H+](CC)CCCO)c1 ZINC000271210144 187747389 /nfs/dbraw/zinc/74/73/89/187747389.db2.gz UIFHJRVJTLWGNP-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CC[NH2+][C@@H]1Cc2ccccc2[C@@H]1OC ZINC000411893673 191224521 /nfs/dbraw/zinc/22/45/21/191224521.db2.gz PBESXJCOKZCVIH-OLZOCXBDSA-N 1 0 203.285 2.074 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000229203727 352647470 /nfs/dbraw/zinc/64/74/70/352647470.db2.gz WPLGFQWHUGUYDG-SNVBAGLBSA-N 1 0 220.272 2.301 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccccc1 ZINC000411923041 191228006 /nfs/dbraw/zinc/22/80/06/191228006.db2.gz KCMNNKLRDRIOET-HUUCEWRRSA-N 1 0 229.323 2.208 20 30 BEEDRO N#CCCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411920634 191228269 /nfs/dbraw/zinc/22/82/69/191228269.db2.gz CKOWTQZEMUICBV-KGLIPLIRSA-N 1 0 230.311 2.098 20 30 BEEDRO CCc1ccc(C[NH2+]CCCC#N)cn1 ZINC000336744993 352701982 /nfs/dbraw/zinc/70/19/82/352701982.db2.gz ACQWOCAFLKTTHX-UHFFFAOYSA-N 1 0 203.289 2.037 20 30 BEEDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)cc1C#N ZINC000135148436 187811241 /nfs/dbraw/zinc/81/12/41/187811241.db2.gz ZWODZKXOJFLHQG-GXFFZTMASA-N 1 0 230.311 2.312 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@@H](Cc1ccccc1)OC ZINC000638747810 352682331 /nfs/dbraw/zinc/68/23/31/352682331.db2.gz JMPKYIOSDXGFER-GXTWGEPZSA-N 1 0 219.328 2.408 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000341892833 352732076 /nfs/dbraw/zinc/73/20/76/352732076.db2.gz XDLHQCCYWIGXKG-BBRMVZONSA-N 1 0 245.366 2.318 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000341892836 352732153 /nfs/dbraw/zinc/73/21/53/352732153.db2.gz XDLHQCCYWIGXKG-XJKSGUPXSA-N 1 0 245.366 2.318 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000336745380 352732225 /nfs/dbraw/zinc/73/22/25/352732225.db2.gz QTWHIAQRXCXXCY-GXTWGEPZSA-N 1 0 219.328 2.002 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000336745685 352732958 /nfs/dbraw/zinc/73/29/58/352732958.db2.gz VVJJOZAAUCJKPP-NWDGAFQWSA-N 1 0 226.364 2.234 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000166473492 187874714 /nfs/dbraw/zinc/87/47/14/187874714.db2.gz OTTOMVOXHQJXDU-RYUDHWBXSA-N 1 0 217.312 2.325 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC2(C1)CCOCC2 ZINC000334237144 352855121 /nfs/dbraw/zinc/85/51/21/352855121.db2.gz IIRJTPZYUVVPLQ-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1nc2ccccc2o1 ZINC000638830348 353009927 /nfs/dbraw/zinc/00/99/27/353009927.db2.gz OWPUJMGFAQCMDX-LLVKDONJSA-N 1 0 246.310 2.102 20 30 BEEDRO COC[C@@H](CC(C)C)[NH2+]CCCCC#N ZINC000336752078 353072645 /nfs/dbraw/zinc/07/26/45/353072645.db2.gz FUBXHIRENNXYIG-GFCCVEGCSA-N 1 0 212.337 2.331 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638865355 353039034 /nfs/dbraw/zinc/03/90/34/353039034.db2.gz FMZCDIFWXISZQB-GFCCVEGCSA-N 1 0 236.359 2.143 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)C[NH2+]C(C)C ZINC000638866203 353040605 /nfs/dbraw/zinc/04/06/05/353040605.db2.gz PLHIYPBHENFEAC-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC1(C[NH3+])CC1 ZINC000638875406 353041744 /nfs/dbraw/zinc/04/17/44/353041744.db2.gz SFFRIRUYZZQOOV-UHFFFAOYSA-N 1 0 238.375 2.224 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000638876083 353042494 /nfs/dbraw/zinc/04/24/94/353042494.db2.gz YFRFEOMOWXAQHB-RYUDHWBXSA-N 1 0 238.375 2.093 20 30 BEEDRO CCOC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(C)C ZINC000336753559 353107555 /nfs/dbraw/zinc/10/75/55/353107555.db2.gz FAJBXYBHLNSEFV-AGIUHOORSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(C)CN(CC[NH3+])Cc1ccccc1 ZINC000232584097 353138263 /nfs/dbraw/zinc/13/82/63/353138263.db2.gz UZMLKGKPDMAFPX-UHFFFAOYSA-N 1 0 204.317 2.023 20 30 BEEDRO CC(C)(C)c1ccc(C#N)c(NCC(C)(C)[NH3+])n1 ZINC000613423368 363204702 /nfs/dbraw/zinc/20/47/02/363204702.db2.gz BPEGCHHQRRKGFQ-UHFFFAOYSA-N 1 0 246.358 2.400 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000032103714 188060093 /nfs/dbraw/zinc/06/00/93/188060093.db2.gz UGAVHHYSZFFGET-CYBMUJFWSA-N 1 0 248.326 2.173 20 30 BEEDRO C#CCC[NH2+][C@@H](COC)c1ccc(CC)o1 ZINC000273227939 188090733 /nfs/dbraw/zinc/09/07/33/188090733.db2.gz CGHLGUWHDQZMJZ-LBPRGKRZSA-N 1 0 221.300 2.142 20 30 BEEDRO C=C(C)CC[NH+]1CCN(Cc2cccnc2)CC1 ZINC000274787770 188092453 /nfs/dbraw/zinc/09/24/53/188092453.db2.gz BHBJSCSJCPSVBA-UHFFFAOYSA-N 1 0 245.370 2.165 20 30 BEEDRO CC#CC[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000278680811 188095149 /nfs/dbraw/zinc/09/51/49/188095149.db2.gz ROJGDAFNUGZBGR-UHFFFAOYSA-N 1 0 244.338 2.257 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000264060160 188087312 /nfs/dbraw/zinc/08/73/12/188087312.db2.gz XLQSAOLUQZQIBC-CYBMUJFWSA-N 1 0 205.301 2.228 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000268201528 188088995 /nfs/dbraw/zinc/08/89/95/188088995.db2.gz MSJCZTZMENGVAY-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C#CC[NH+]1CCC(OC2CCCCC2)CC1 ZINC000125628479 353181338 /nfs/dbraw/zinc/18/13/38/353181338.db2.gz STLNCVCNRZUBIR-UHFFFAOYSA-N 1 0 221.344 2.433 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000336763023 353208012 /nfs/dbraw/zinc/20/80/12/353208012.db2.gz OTATWNHALLGDOF-ZETCQYMHSA-N 1 0 215.247 2.022 20 30 BEEDRO C#Cc1cccc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000179561833 188167210 /nfs/dbraw/zinc/16/72/10/188167210.db2.gz VNYKAFPZKOZUIC-UHFFFAOYSA-N 1 0 242.322 2.091 20 30 BEEDRO C[N@H+](CC#Cc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000160067840 353252699 /nfs/dbraw/zinc/25/26/99/353252699.db2.gz MXDAGIGNCVYCDU-CQSZACIVSA-N 1 0 249.741 2.412 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)no1 ZINC000126722474 353255849 /nfs/dbraw/zinc/25/58/49/353255849.db2.gz FIOPBUZTEHNTED-UHFFFAOYSA-N 1 0 221.304 2.403 20 30 BEEDRO CC(C)n1ccnc1CN[C@H]1CCC[C@@H]1C#N ZINC000331303854 353243065 /nfs/dbraw/zinc/24/30/65/353243065.db2.gz ANAYPAHYEJSTED-NEPJUHHUSA-N 1 0 232.331 2.246 20 30 BEEDRO C[C@@H](Nc1ccc(C#N)cc1)[C@@H]1CCC[NH2+]C1 ZINC000050163702 188219616 /nfs/dbraw/zinc/21/96/16/188219616.db2.gz UQWLYPXVJLQKDY-DGCLKSJQSA-N 1 0 229.327 2.358 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)c1nc(C)no1 ZINC000336768072 353277681 /nfs/dbraw/zinc/27/76/81/353277681.db2.gz UIEVFRSCTBNVCS-IUCAKERBSA-N 1 0 209.293 2.383 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC([NH3+])(CC)CC ZINC000160444437 353262434 /nfs/dbraw/zinc/26/24/34/353262434.db2.gz XXOTWUPIZMNBRX-UHFFFAOYSA-N 1 0 238.375 2.389 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)CCOC)c1 ZINC000127125444 353263754 /nfs/dbraw/zinc/26/37/54/353263754.db2.gz GOHPCNLIQIYUEE-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C1CCCC1 ZINC000336771958 353310483 /nfs/dbraw/zinc/31/04/83/353310483.db2.gz XTKWYVONRXZPCB-NEPJUHHUSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000252736820 353302909 /nfs/dbraw/zinc/30/29/09/353302909.db2.gz AFODOIURFPRMAP-HBNTYKKESA-N 1 0 227.735 2.286 20 30 BEEDRO C=CC[C@H](C)NC(=O)c1ccccc1CC[NH2+]C ZINC000162806164 353332731 /nfs/dbraw/zinc/33/27/31/353332731.db2.gz ZDIYSMCCOWZRTP-LBPRGKRZSA-N 1 0 246.354 2.143 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)CC1CC1 ZINC000308876431 491049358 /nfs/dbraw/zinc/04/93/58/491049358.db2.gz SIJAJRIOMDWHGA-DMDPSCGWSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCC1CC(O)C1 ZINC000336772881 353323133 /nfs/dbraw/zinc/32/31/33/353323133.db2.gz YLJGGINIHNVJNG-IALDZJHCSA-N 1 0 211.349 2.338 20 30 BEEDRO CCC(N)=[NH+]OCc1ccn(C2CCCC2)n1 ZINC000268627361 535226801 /nfs/dbraw/zinc/22/68/01/535226801.db2.gz WRYMXUYIHIXYDW-UHFFFAOYSA-N 1 0 236.319 2.197 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](C)C[C@H](C)O)c1 ZINC000130653470 353357348 /nfs/dbraw/zinc/35/73/48/353357348.db2.gz URQLVANSFSFOQM-LBPRGKRZSA-N 1 0 235.327 2.064 20 30 BEEDRO C=CCC[C@H](CC)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130888938 353359858 /nfs/dbraw/zinc/35/98/58/353359858.db2.gz KCEGBJWGDZWBLJ-SLEUVZQESA-N 1 0 231.405 2.430 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000076737165 353340609 /nfs/dbraw/zinc/34/06/09/353340609.db2.gz QKMRZPVCDGENQD-AWEZNQCLSA-N 1 0 249.354 2.324 20 30 BEEDRO C=CC[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000077383341 353349786 /nfs/dbraw/zinc/34/97/86/353349786.db2.gz VRULTIABIRBCIQ-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000130461986 353350644 /nfs/dbraw/zinc/35/06/44/353350644.db2.gz HFOAOEUGDMJDCP-VIFPVBQESA-N 1 0 205.257 2.079 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000090883816 353395125 /nfs/dbraw/zinc/39/51/25/353395125.db2.gz YRUXAHHLNMJXPZ-NSHDSACASA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccccc2O)CC1 ZINC000132320130 353378019 /nfs/dbraw/zinc/37/80/19/353378019.db2.gz XRUKJHOTSCLZSH-UHFFFAOYSA-N 1 0 232.327 2.090 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639068602 353378549 /nfs/dbraw/zinc/37/85/49/353378549.db2.gz XXEBZSJITQYOIR-GFCCVEGCSA-N 1 0 244.338 2.432 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCS[C@@H](CC)C1 ZINC000132446637 353379735 /nfs/dbraw/zinc/37/97/35/353379735.db2.gz XIFKAUALPYJGHH-NEPJUHHUSA-N 1 0 229.389 2.141 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000180188715 353382862 /nfs/dbraw/zinc/38/28/62/353382862.db2.gz VJUSONSAJHCJPO-HNNXBMFYSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CCC[NH+]1CCC(c2nc(C)no2)CC1 ZINC000132593237 353383418 /nfs/dbraw/zinc/38/34/18/353383418.db2.gz OJGAFLYUAFQRKJ-UHFFFAOYSA-N 1 0 221.304 2.134 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000281389149 353446220 /nfs/dbraw/zinc/44/62/20/353446220.db2.gz ZJFHXAQYNRBSTI-KBPBESRZSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](OC)c1ccccc1 ZINC000283008914 353488891 /nfs/dbraw/zinc/48/88/91/353488891.db2.gz HAFPYKMOBPPPEW-ZDUSSCGKSA-N 1 0 205.301 2.492 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cc(C(N)=O)cs1 ZINC000093533670 353489575 /nfs/dbraw/zinc/48/95/75/353489575.db2.gz GBYQWEGJTHANCI-UHFFFAOYSA-N 1 0 238.356 2.245 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1nc(C)ccc1O ZINC000093533560 353490021 /nfs/dbraw/zinc/49/00/21/353490021.db2.gz DMLUPJUXJUAOLI-UHFFFAOYSA-N 1 0 220.316 2.494 20 30 BEEDRO C=CC[NH+](CC=C)CCc1ccccn1 ZINC000060474352 353472019 /nfs/dbraw/zinc/47/20/19/353472019.db2.gz VCFVHTZKCJPXGV-UHFFFAOYSA-N 1 0 202.301 2.298 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1F ZINC000191749188 353508149 /nfs/dbraw/zinc/50/81/49/353508149.db2.gz AAXSLANDAGJFLQ-YGRLFVJLSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H]1c1nc(C)no1 ZINC000285881348 353547968 /nfs/dbraw/zinc/54/79/68/353547968.db2.gz ZNSGSBAMUXOVJH-JTQLQIEISA-N 1 0 207.277 2.091 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000183329098 353533137 /nfs/dbraw/zinc/53/31/37/353533137.db2.gz DBGHAODGBOOZDZ-ZYHUDNBSSA-N 1 0 219.332 2.425 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000135192333 353541249 /nfs/dbraw/zinc/54/12/49/353541249.db2.gz CGAIHDJQQCENPQ-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@]1(CO)CC(C)C ZINC000191651599 353502371 /nfs/dbraw/zinc/50/23/71/353502371.db2.gz XQGDZHUVDITPEC-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000193102322 353574774 /nfs/dbraw/zinc/57/47/74/353574774.db2.gz FYFHBUSSKFYAJB-CQSZACIVSA-N 1 0 249.329 2.174 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)oc1C ZINC000278643939 188448853 /nfs/dbraw/zinc/44/88/53/188448853.db2.gz HRMHZIMKVCZMMK-CMPLNLGQSA-N 1 0 223.316 2.484 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CCO1 ZINC000336780615 353593899 /nfs/dbraw/zinc/59/38/99/353593899.db2.gz RVIXWPWNONABEE-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CC[NH2+][C@H](COC)c1ccc(Cl)cc1 ZINC000193665104 353598093 /nfs/dbraw/zinc/59/80/93/353598093.db2.gz QNHMGPUUPFCVRS-GFCCVEGCSA-N 1 0 223.703 2.250 20 30 BEEDRO C#CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286226306 353553755 /nfs/dbraw/zinc/55/37/55/353553755.db2.gz YXZSCEDXJCHHQG-OWCLPIDISA-N 1 0 241.334 2.124 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@@H](O)CC)c1ccccc1 ZINC000271713584 188444931 /nfs/dbraw/zinc/44/49/31/188444931.db2.gz OSRJNQKLHBGRLN-KBPBESRZSA-N 1 0 217.312 2.112 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000289319305 353622222 /nfs/dbraw/zinc/62/22/22/353622222.db2.gz FNYBOWLLTQPBDI-WFASDCNBSA-N 1 0 249.329 2.385 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(OC)c(O)c(OC)c1 ZINC000289601727 353623205 /nfs/dbraw/zinc/62/32/05/353623205.db2.gz JAMKOIJPXWWCAD-UHFFFAOYSA-N 1 0 237.299 2.027 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000289641973 353625262 /nfs/dbraw/zinc/62/52/62/353625262.db2.gz XQGAEFIBQQWRBR-GFCCVEGCSA-N 1 0 239.322 2.198 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000289659746 353625331 /nfs/dbraw/zinc/62/53/31/353625331.db2.gz GQZZNHCUKSHXLL-YRGRVCCFSA-N 1 0 249.354 2.324 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC000289666332 353626111 /nfs/dbraw/zinc/62/61/11/353626111.db2.gz GZEVDPSVSGIODE-XHDPSFHLSA-N 1 0 231.339 2.373 20 30 BEEDRO C=CC[C@H]1[N@H+](Cc2cnn(C)n2)CCCC1(C)C ZINC000289679948 353626248 /nfs/dbraw/zinc/62/62/48/353626248.db2.gz ZGXCMGSTHOOMOI-CYBMUJFWSA-N 1 0 248.374 2.382 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccnn1-c1ccccc1C ZINC000289399387 353627712 /nfs/dbraw/zinc/62/77/12/353627712.db2.gz OMEFIJMGUGUSIP-ZDUSSCGKSA-N 1 0 239.322 2.292 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCCC)cc1O ZINC000289384644 353627779 /nfs/dbraw/zinc/62/77/79/353627779.db2.gz MVHVDKVTHIIXGC-NSHDSACASA-N 1 0 233.311 2.292 20 30 BEEDRO C#CCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289435402 353628578 /nfs/dbraw/zinc/62/85/78/353628578.db2.gz JOZVBYKADVPYJY-HNNXBMFYSA-N 1 0 240.350 2.147 20 30 BEEDRO C=CC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289439573 353628773 /nfs/dbraw/zinc/62/87/73/353628773.db2.gz JXSOLHNVJWAWII-AWEZNQCLSA-N 1 0 228.339 2.309 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000289442548 353629483 /nfs/dbraw/zinc/62/94/83/353629483.db2.gz AVCHNUIDWUHEQE-CYBMUJFWSA-N 1 0 247.338 2.037 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC=C)c(OC)c1 ZINC000289523402 353632034 /nfs/dbraw/zinc/63/20/34/353632034.db2.gz PNBKMZNYAJSXTL-GFCCVEGCSA-N 1 0 245.322 2.371 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cnc2ccc(C)cn12)C(C)C ZINC000289619266 353633671 /nfs/dbraw/zinc/63/36/71/353633671.db2.gz WGKHTHDIPMEEIB-CQSZACIVSA-N 1 0 241.338 2.390 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000289758759 353634206 /nfs/dbraw/zinc/63/42/06/353634206.db2.gz FVCUDWKBERGRLB-LLVKDONJSA-N 1 0 225.723 2.359 20 30 BEEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343314857 353634491 /nfs/dbraw/zinc/63/44/91/353634491.db2.gz OPTNQXGYYAMVPZ-NEPJUHHUSA-N 1 0 236.359 2.426 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000231644469 353637582 /nfs/dbraw/zinc/63/75/82/353637582.db2.gz KFTIWXSBIXMSJK-SNVBAGLBSA-N 1 0 246.310 2.072 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)cc1 ZINC000289837494 353639618 /nfs/dbraw/zinc/63/96/18/353639618.db2.gz UQVHZHOJMKRHHA-HOTGVXAUSA-N 1 0 243.350 2.309 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000289915622 353642820 /nfs/dbraw/zinc/64/28/20/353642820.db2.gz UNYPTOCZGBIASZ-JSGCOSHPSA-N 1 0 248.370 2.340 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1ccc(OC)cc1F ZINC000289935741 353642875 /nfs/dbraw/zinc/64/28/75/353642875.db2.gz VRVGRJZWZFBZSW-ZJUUUORDSA-N 1 0 239.290 2.032 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000289926947 353643317 /nfs/dbraw/zinc/64/33/17/353643317.db2.gz VGKSTRWOPPEJPO-VXGBXAGGSA-N 1 0 235.327 2.201 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C[C@@H](CC)OC)cc1 ZINC000289902817 353643380 /nfs/dbraw/zinc/64/33/80/353643380.db2.gz UGYLNZBDAYLDKC-CQSZACIVSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000289915626 353643452 /nfs/dbraw/zinc/64/34/52/353643452.db2.gz UNYPTOCZGBIASZ-TZMCWYRMSA-N 1 0 248.370 2.340 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000136117285 353610255 /nfs/dbraw/zinc/61/02/55/353610255.db2.gz SZSCMAKZJYWDQL-UHFFFAOYSA-N 1 0 204.317 2.370 20 30 BEEDRO C#Cc1ccc(C[NH+]2CCC(OC)CC2)cc1 ZINC000288979648 353615582 /nfs/dbraw/zinc/61/55/82/353615582.db2.gz CHDRDFNQZURFFD-UHFFFAOYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#CCCC[N@@H+]1CCCc2occc2C1 ZINC000288930318 353615644 /nfs/dbraw/zinc/61/56/44/353615644.db2.gz VWVHYAQRWIZEAR-UHFFFAOYSA-N 1 0 203.285 2.441 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(C)c1O)C(C)C ZINC000289072915 353616931 /nfs/dbraw/zinc/61/69/31/353616931.db2.gz AKFJDEARYXXYGC-CYBMUJFWSA-N 1 0 217.312 2.448 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000289109994 353618217 /nfs/dbraw/zinc/61/82/17/353618217.db2.gz CSENIGFRZGHIDJ-DZKIICNBSA-N 1 0 242.366 2.118 20 30 BEEDRO C#CC[N@H+](CC)CC[C@H](O)c1ccccc1 ZINC000290496436 353656760 /nfs/dbraw/zinc/65/67/60/353656760.db2.gz XZYQWPGAZOZOOF-AWEZNQCLSA-N 1 0 217.312 2.065 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1 ZINC000290496554 353657329 /nfs/dbraw/zinc/65/73/29/353657329.db2.gz WGUURFGEXFVMNF-SHTZXODSSA-N 1 0 229.323 2.061 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCOCCC=C)cc1 ZINC000290522318 353659046 /nfs/dbraw/zinc/65/90/46/353659046.db2.gz XSBWYHQXTPPYKX-UHFFFAOYSA-N 1 0 229.323 2.350 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@](C)(CC)CCO)cc1 ZINC000290542226 353659925 /nfs/dbraw/zinc/65/99/25/353659925.db2.gz YSENLOPMJHNCMS-HNNXBMFYSA-N 1 0 231.339 2.309 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000290407652 353662921 /nfs/dbraw/zinc/66/29/21/353662921.db2.gz PYRPZVZXMCBQAR-DOMZBBRYSA-N 1 0 229.323 2.325 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](c1nncn1C)C(C)C ZINC000336781647 353674693 /nfs/dbraw/zinc/67/46/93/353674693.db2.gz VEVQSAVWYAKNPD-LLVKDONJSA-N 1 0 222.336 2.068 20 30 BEEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343320760 353676624 /nfs/dbraw/zinc/67/66/24/353676624.db2.gz MLOUYMIYHMQAQN-YPMHNXCESA-N 1 0 236.359 2.426 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCCCOc1ccccc1 ZINC000291542414 353690160 /nfs/dbraw/zinc/69/01/60/353690160.db2.gz LINZDMKWIFPMQV-CQSZACIVSA-N 1 0 249.354 2.372 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1c[nH]c2nccnc12 ZINC000291438684 353692404 /nfs/dbraw/zinc/69/24/04/353692404.db2.gz BSFPIQRADDGHPC-LLVKDONJSA-N 1 0 230.315 2.402 20 30 BEEDRO CC#CCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000184962163 353734055 /nfs/dbraw/zinc/73/40/55/353734055.db2.gz WHCBECKGQQYCNV-UHFFFAOYSA-N 1 0 212.296 2.403 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1scnc1C ZINC000293160243 353734588 /nfs/dbraw/zinc/73/45/88/353734588.db2.gz RMWHXCRKOHZQSU-UHFFFAOYSA-N 1 0 226.345 2.086 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292198514 353706152 /nfs/dbraw/zinc/70/61/52/353706152.db2.gz NQCPQZIPLPSDMZ-TZMCWYRMSA-N 1 0 246.354 2.200 20 30 BEEDRO C=CC[NH+](CC=C)CCC1CCOCC1 ZINC000292700170 353720496 /nfs/dbraw/zinc/72/04/96/353720496.db2.gz SMCHSXLYFPDQJO-UHFFFAOYSA-N 1 0 209.333 2.477 20 30 BEEDRO N#CCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049578499 188481347 /nfs/dbraw/zinc/48/13/47/188481347.db2.gz NYXGSIBEDLEMLI-UHFFFAOYSA-N 1 0 247.298 2.421 20 30 BEEDRO C=CCOCC[N@@H+](C)CCc1cccs1 ZINC000292893828 353727619 /nfs/dbraw/zinc/72/76/19/353727619.db2.gz VJGBKGXOEZBDRT-UHFFFAOYSA-N 1 0 225.357 2.425 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(N(C)CC)nc1 ZINC000336782626 353729191 /nfs/dbraw/zinc/72/91/91/353729191.db2.gz YGTJVULAPTUUCL-LLVKDONJSA-N 1 0 219.332 2.202 20 30 BEEDRO C=CCOCC[N@@H+](C)Cc1ccc(OC)cc1 ZINC000293519567 353751651 /nfs/dbraw/zinc/75/16/51/353751651.db2.gz OUZOSRQVYGITGL-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000639119452 353756921 /nfs/dbraw/zinc/75/69/21/353756921.db2.gz QTRYQJLEVURKEW-MGPQQGTHSA-N 1 0 239.359 2.269 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2conc2C)CC1 ZINC000293647040 353759361 /nfs/dbraw/zinc/75/93/61/353759361.db2.gz SCPLKOMQYNYMMH-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO C#CC[N@@H+](CCCc1ccccc1)CCOC ZINC000065959211 353767125 /nfs/dbraw/zinc/76/71/25/353767125.db2.gz SXVXXFMNEONNFY-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 BEEDRO Fc1ccc(C#CCN(C2CC2)C2COC2)cc1 ZINC000295361799 353804553 /nfs/dbraw/zinc/80/45/53/353804553.db2.gz JGMFUMFZTYVGHO-UHFFFAOYSA-N 1 0 245.297 2.040 20 30 BEEDRO CC(C)N(CC#Cc1ccc(F)cc1)C1COC1 ZINC000295292872 353806901 /nfs/dbraw/zinc/80/69/01/353806901.db2.gz DVACLPXSCYXYIF-UHFFFAOYSA-N 1 0 247.313 2.286 20 30 BEEDRO C#CCN1C[C@H](c2ccccc2)OC[C@@H]1C ZINC000066853195 353817982 /nfs/dbraw/zinc/81/79/82/353817982.db2.gz JMCQWDPUVKAQDS-GXTWGEPZSA-N 1 0 215.296 2.082 20 30 BEEDRO CC#CC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296265638 353822053 /nfs/dbraw/zinc/82/20/53/353822053.db2.gz MBPULYJCWCBMEB-ZDUSSCGKSA-N 1 0 237.730 2.329 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cc(O)cc(F)c1 ZINC000185609428 353822379 /nfs/dbraw/zinc/82/23/79/353822379.db2.gz ZESOTEGLNGZOKI-UHFFFAOYSA-N 1 0 239.290 2.214 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000639132152 353841198 /nfs/dbraw/zinc/84/11/98/353841198.db2.gz GGAFLNZIUZOBLJ-LLVKDONJSA-N 1 0 248.326 2.297 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](Cn1cccn1)C(C)C ZINC000296753688 353832543 /nfs/dbraw/zinc/83/25/43/353832543.db2.gz JVTDCBIUAGGWKG-STQMWFEESA-N 1 0 221.348 2.462 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000296794829 353833520 /nfs/dbraw/zinc/83/35/20/353833520.db2.gz QTFKFTHKLXFRSI-INIZCTEOSA-N 1 0 243.350 2.397 20 30 BEEDRO COC[C@]1(C)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000296794832 353833577 /nfs/dbraw/zinc/83/35/77/353833577.db2.gz QTFKFTHKLXFRSI-MRXNPFEDSA-N 1 0 243.350 2.397 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nnc(C2CC2)[nH]1 ZINC000294810343 353789454 /nfs/dbraw/zinc/78/94/54/353789454.db2.gz NTXFEPSNGRODAZ-ZJUUUORDSA-N 1 0 234.347 2.372 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccnc(C#N)c2)C[C@H]1C ZINC000092085412 353859834 /nfs/dbraw/zinc/85/98/34/353859834.db2.gz CYXXWWSIELWBJU-PHIMTYICSA-N 1 0 215.300 2.041 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639132709 353842283 /nfs/dbraw/zinc/84/22/83/353842283.db2.gz SKNCHCNUSFRIGW-RWMBFGLXSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CC(C)(C)CCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] 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354045035 /nfs/dbraw/zinc/04/50/35/354045035.db2.gz KROCNMUEUIDTQA-GFCCVEGCSA-N 1 0 244.342 2.143 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](CO)c2ccccc2)C1 ZINC000249000174 181059593 /nfs/dbraw/zinc/05/95/93/181059593.db2.gz QEUXPXIMVUADJB-YUELXQCFSA-N 1 0 244.338 2.392 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2COc3ccccc32)C1 ZINC000343938827 354048203 /nfs/dbraw/zinc/04/82/03/354048203.db2.gz QZLWAHFTGAFVHU-AGIUHOORSA-N 1 0 242.322 2.444 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000308880106 181069619 /nfs/dbraw/zinc/06/96/19/181069619.db2.gz PPVNSKSOGCSLKD-WCBMZHEXSA-N 1 0 214.259 2.314 20 30 BEEDRO N#Cc1c(F)cccc1NCC[C@@H]1CC[NH2+]C1 ZINC000110798618 181075955 /nfs/dbraw/zinc/07/59/55/181075955.db2.gz XVAPZZYOQRVMBT-JTQLQIEISA-N 1 0 233.290 2.109 20 30 BEEDRO C[C@@H]1C[C@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000344116936 354142672 /nfs/dbraw/zinc/14/26/72/354142672.db2.gz BCUGXPWCZRZECA-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)c(OC)c1 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ZINC000301051027 363395430 /nfs/dbraw/zinc/39/54/30/363395430.db2.gz TVPYFHIGRVVXIJ-MNOVXSKESA-N 1 0 225.332 2.082 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1cnc(C)[nH]c1=O ZINC000346292883 354878001 /nfs/dbraw/zinc/87/80/01/354878001.db2.gz JAKKSEJWVKIUBT-VHSXEESVSA-N 1 0 235.331 2.181 20 30 BEEDRO N#CCCN(Cc1ccc(F)cn1)CC1CC1 ZINC000346435508 354934835 /nfs/dbraw/zinc/93/48/35/354934835.db2.gz MSJUUYGMZAPXFO-UHFFFAOYSA-N 1 0 233.290 2.346 20 30 BEEDRO N#Cc1ccncc1NCc1ccn2ccnc2c1 ZINC000357445644 181160763 /nfs/dbraw/zinc/16/07/63/181160763.db2.gz ZWOLEZUNYJBEGK-UHFFFAOYSA-N 1 0 249.277 2.213 20 30 BEEDRO CC1(C#N)CC[NH+](CCc2ccncc2)CC1 ZINC000227351765 535275562 /nfs/dbraw/zinc/27/55/62/535275562.db2.gz ZFOICRLVQYSBAJ-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO C=CCOc1ccccc1CN1CCC([NH3+])CC1 ZINC000346654016 355002880 /nfs/dbraw/zinc/00/28/80/355002880.db2.gz QZVGXDQGDCXAPK-UHFFFAOYSA-N 1 0 246.354 2.175 20 30 BEEDRO CC1(C#N)CC[NH+](CC2CCOCC2)CC1 ZINC000227350974 535275295 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/nfs/dbraw/zinc/32/34/14/355323414.db2.gz PMTYBURLRAJBMM-UHFFFAOYSA-N 1 0 247.317 2.298 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000414111853 191447598 /nfs/dbraw/zinc/44/75/98/191447598.db2.gz XOOLDVMFJKNXDO-MROQNXINSA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CS1 ZINC000414231537 191474685 /nfs/dbraw/zinc/47/46/85/191474685.db2.gz PHUBVGZWGPGIIN-RCWTZXSCSA-N 1 0 210.346 2.162 20 30 BEEDRO C=CCC1(c2nc(C3([NH3+])CCC3)no2)CCC1 ZINC000414631389 191539936 /nfs/dbraw/zinc/53/99/36/191539936.db2.gz WRZDAJGPNVZBFE-UHFFFAOYSA-N 1 0 233.315 2.405 20 30 BEEDRO C=CCCOCC[NH2+][C@H](CC)c1ccn(C)n1 ZINC000349772074 355453957 /nfs/dbraw/zinc/45/39/57/355453957.db2.gz BKQTYGQLFMJFLJ-GFCCVEGCSA-N 1 0 237.347 2.054 20 30 BEEDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(C#N)nc1 ZINC000267528478 355522821 /nfs/dbraw/zinc/52/28/21/355522821.db2.gz PDIBNLWLYFHZRJ-CQSZACIVSA-N 1 0 244.342 2.240 20 30 BEEDRO N#CCCC[NH+]1CCC2(CCOCC2)CC1 ZINC000335849692 355593833 /nfs/dbraw/zinc/59/38/33/355593833.db2.gz LNXSWKFACHRTKS-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000583562157 355612519 /nfs/dbraw/zinc/61/25/19/355612519.db2.gz CSLCCMPERVXLPN-NWDGAFQWSA-N 1 0 210.321 2.178 20 30 BEEDRO C=C[C@H](C)NC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415913897 191703237 /nfs/dbraw/zinc/70/32/37/191703237.db2.gz SDYCFWHZVVKDBK-NSHDSACASA-N 1 0 247.342 2.492 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CCO[C@H](C)C1)C1CC1 ZINC000350220547 355650864 /nfs/dbraw/zinc/65/08/64/355650864.db2.gz GENMXNXELMZYEW-NEPJUHHUSA-N 1 0 209.333 2.452 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2(C#N)CC2)C[C@@H]1n1ccnc1 ZINC000335896080 355690813 /nfs/dbraw/zinc/69/08/13/355690813.db2.gz IBYHKQSHTHDBRW-OLZOCXBDSA-N 1 0 244.342 2.070 20 30 BEEDRO C=CCC1([NH2+]C[C@@H](OC)C2CC2)CCOCC1 ZINC000639315145 355706230 /nfs/dbraw/zinc/70/62/30/355706230.db2.gz QMRZHXNWQKMMAQ-CYBMUJFWSA-N 1 0 239.359 2.126 20 30 BEEDRO CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(CC#N)CC1 ZINC000191062894 358498622 /nfs/dbraw/zinc/49/86/22/358498622.db2.gz HRVKBAQCGOKTBO-GJZGRUSLSA-N 1 0 247.386 2.120 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639335517 355766544 /nfs/dbraw/zinc/76/65/44/355766544.db2.gz SQDRZZHSPOJMHP-STQMWFEESA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(C)CN1CCC([NH2+]Cc2cccnc2)CC1 ZINC000106245908 355771731 /nfs/dbraw/zinc/77/17/31/355771731.db2.gz HTIGQUUZQKNIDZ-UHFFFAOYSA-N 1 0 245.370 2.212 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc(CC#N)cc1 ZINC000399019611 355821419 /nfs/dbraw/zinc/82/14/19/355821419.db2.gz DPTGPUFZGSAILQ-BXUZGUMPSA-N 1 0 214.312 2.498 20 30 BEEDRO COCC1(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000581010990 355836894 /nfs/dbraw/zinc/83/68/94/355836894.db2.gz AGXDDGRSDKFFBC-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000639371142 355866752 /nfs/dbraw/zinc/86/67/52/355866752.db2.gz JRLJLYPHZZGJGI-MNOVXSKESA-N 1 0 205.305 2.244 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000639371144 355867082 /nfs/dbraw/zinc/86/70/82/355867082.db2.gz JRLJLYPHZZGJGI-WDEREUQCSA-N 1 0 205.305 2.244 20 30 BEEDRO CO[C@@H](C[NH2+]C[C@H](C#N)CCC#N)CC(C)C ZINC000583615752 355831577 /nfs/dbraw/zinc/83/15/77/355831577.db2.gz OSJRKBLSTPNGBI-QWHCGFSZSA-N 1 0 237.347 2.081 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C2(C)COC2)c1 ZINC000639381793 355923144 /nfs/dbraw/zinc/92/31/44/355923144.db2.gz HTVLEAKKHKNYRS-UHFFFAOYSA-N 1 0 233.311 2.130 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(Cl)nc1 ZINC000389276125 355939533 /nfs/dbraw/zinc/93/95/33/355939533.db2.gz OUFBHJVZUMQASS-JTQLQIEISA-N 1 0 208.692 2.236 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccc(C#N)cc1 ZINC000087817824 355900157 /nfs/dbraw/zinc/90/01/57/355900157.db2.gz GCWWHJLFUUTALD-MNOVXSKESA-N 1 0 232.327 2.368 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000351331143 355980509 /nfs/dbraw/zinc/98/05/09/355980509.db2.gz RLDIKOYHKHZGSC-TZMCWYRMSA-N 1 0 245.326 2.227 20 30 BEEDRO CC1(C)CCCN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442862973 191935261 /nfs/dbraw/zinc/93/52/61/191935261.db2.gz WJCGVFICGAPVRT-KGLIPLIRSA-N 1 0 249.402 2.390 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cc(OC)cc(C)n1 ZINC000351107276 355948970 /nfs/dbraw/zinc/94/89/70/355948970.db2.gz YQOPXZMTUDCJEE-UHFFFAOYSA-N 1 0 220.316 2.407 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)[C@H]1CCCO1 ZINC000192180733 355955059 /nfs/dbraw/zinc/95/50/59/355955059.db2.gz CCHANBFIIAQUEQ-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2(CO)CCCC2)cc1F ZINC000192118271 355956798 /nfs/dbraw/zinc/95/67/98/355956798.db2.gz QVSZXZLMWSQUGE-UHFFFAOYSA-N 1 0 248.301 2.092 20 30 BEEDRO C=CCCN1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000608748005 355971414 /nfs/dbraw/zinc/97/14/14/355971414.db2.gz CGANTCBWMPZHGQ-IUCAKERBSA-N 1 0 223.238 2.214 20 30 BEEDRO Cc1noc([C@H]2CCC[N@@H+]([C@@H](C)CCC#N)C2)n1 ZINC000351633632 356057416 /nfs/dbraw/zinc/05/74/16/356057416.db2.gz OCQAKVVMNLCDKP-JQWIXIFHSA-N 1 0 248.330 2.250 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000351738481 356076347 /nfs/dbraw/zinc/07/63/47/356076347.db2.gz WLTFEVILXOHBSI-LLVKDONJSA-N 1 0 207.321 2.379 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000351738567 356076454 /nfs/dbraw/zinc/07/64/54/356076454.db2.gz XILIYZWKRCDARB-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2C)ccc1C#N ZINC000336096713 134080589 /nfs/dbraw/zinc/08/05/89/134080589.db2.gz RIWWRPYVJHJKFX-IUODEOHRSA-N 1 0 244.338 2.381 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H]1CCOC1 ZINC000047701586 356144889 /nfs/dbraw/zinc/14/48/89/356144889.db2.gz IRVWVUOGESIEHT-CQSZACIVSA-N 1 0 230.311 2.027 20 30 BEEDRO C=C(C)CC[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000351914280 356198474 /nfs/dbraw/zinc/19/84/74/356198474.db2.gz WDXSAZHIBGJLGS-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO CC#CCC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336267332 356327108 /nfs/dbraw/zinc/32/71/08/356327108.db2.gz JALJFQSXLYVKPW-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000420284354 192199287 /nfs/dbraw/zinc/19/92/87/192199287.db2.gz OOCMCHOTUZMIKU-VXGBXAGGSA-N 1 0 244.342 2.191 20 30 BEEDRO Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)cc(C#N)n1 ZINC000420284350 192199673 /nfs/dbraw/zinc/19/96/73/192199673.db2.gz OOCMCHOTUZMIKU-NWDGAFQWSA-N 1 0 244.342 2.191 20 30 BEEDRO Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)cc(C#N)n1 ZINC000420284348 192200571 /nfs/dbraw/zinc/20/05/71/192200571.db2.gz OOCMCHOTUZMIKU-NEPJUHHUSA-N 1 0 244.342 2.191 20 30 BEEDRO CCC1(CO)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336120908 134091066 /nfs/dbraw/zinc/09/10/66/134091066.db2.gz PYBWSGSOCVNBLZ-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1ccc(C#N)c(NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420293435 192203059 /nfs/dbraw/zinc/20/30/59/192203059.db2.gz XWYVGBRFHNRSNH-WCQYABFASA-N 1 0 244.342 2.191 20 30 BEEDRO CC(C)[C@H]([NH2+]CCC(C)(C)C#N)c1nncn1C ZINC000352458784 356360410 /nfs/dbraw/zinc/36/04/10/356360410.db2.gz PAYMHGMKYGRYGO-NSHDSACASA-N 1 0 249.362 2.042 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000336131819 134094564 /nfs/dbraw/zinc/09/45/64/134094564.db2.gz COZPOOMGAKPPTJ-IINYFYTJSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCN1Cc2ccccc2NC(=O)[C@H]1C ZINC000623289096 356497150 /nfs/dbraw/zinc/49/71/50/356497150.db2.gz MFQSVXVWTUTANT-SNVBAGLBSA-N 1 0 216.284 2.015 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)CC[N@@H+]1C ZINC000336170437 134114908 /nfs/dbraw/zinc/11/49/08/134114908.db2.gz BREJOAOMZYKZRK-XSCHDIRWSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCOCC[NH+]1C[C@@H](CC)O[C@H](CC)C1 ZINC000420955209 192278516 /nfs/dbraw/zinc/27/85/16/192278516.db2.gz KZZHIEBZWXBFRS-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1CC1(C#N)CCC1 ZINC000336198738 134127761 /nfs/dbraw/zinc/12/77/61/134127761.db2.gz MMVLAHACZVJOGH-KBPBESRZSA-N 1 0 247.386 2.239 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000421340950 192319301 /nfs/dbraw/zinc/31/93/01/192319301.db2.gz JFXJVWZJCDGJSY-XQJDBVBESA-N 1 0 248.301 2.114 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CC(=O)N(CCC)C1 ZINC000421350025 192319667 /nfs/dbraw/zinc/31/96/67/192319667.db2.gz KDZDJENSPAMFOG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CC(=O)N(CCC)C1 ZINC000421350026 192320093 /nfs/dbraw/zinc/32/00/93/192320093.db2.gz KDZDJENSPAMFOG-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc2c1CCOC2 ZINC000639660357 356569664 /nfs/dbraw/zinc/56/96/64/356569664.db2.gz UKMVGRIYTIWGGR-UHFFFAOYSA-N 1 0 229.323 2.214 20 30 BEEDRO CC[C@H]1CN(Cc2ccccc2C#N)CC[C@@H]1[NH3+] ZINC000122691516 363495612 /nfs/dbraw/zinc/49/56/12/363495612.db2.gz UFQSZJQAMLYZFZ-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@H]1C[N@H+](CCCC#N)CCC1(F)F ZINC000336373594 134145170 /nfs/dbraw/zinc/14/51/70/134145170.db2.gz ITZTYPKBZSJQCZ-VIFPVBQESA-N 1 0 202.248 2.267 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000336345050 134144323 /nfs/dbraw/zinc/14/43/23/134144323.db2.gz ZYTCAZRNORVUOC-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO C[N@H+](C[C@@H]1CCCOC1)CC1(CC#N)CC1 ZINC000088259544 356645015 /nfs/dbraw/zinc/64/50/15/356645015.db2.gz VVFBFMHVVOQYDW-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C[N@H+](C[C@H]1CCCCO1)CC1(CC#N)CC1 ZINC000088259341 356646924 /nfs/dbraw/zinc/64/69/24/356646924.db2.gz VTACIWJYVWZDBM-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO CCN1CCC([N@H+](C)CC2(CC#N)CC2)CC1 ZINC000088259421 356647193 /nfs/dbraw/zinc/64/71/93/356647193.db2.gz OOUXTOKIAAQQQG-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[N@H+](C[C@H]1CCCO1)CC1(CC#N)CC1 ZINC000088259344 356647419 /nfs/dbraw/zinc/64/74/19/356647419.db2.gz DKVVDHGSBLDIPB-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[N@H+](Cc1ccoc1)CC1(CC#N)CC1 ZINC000088259330 356647527 /nfs/dbraw/zinc/64/75/27/356647527.db2.gz BMERETPUVNNOIA-UHFFFAOYSA-N 1 0 204.273 2.405 20 30 BEEDRO N#CCC1(C[N@@H+](CCO)C2CCCCC2)CC1 ZINC000088256919 356640253 /nfs/dbraw/zinc/64/02/53/356640253.db2.gz GMXZLDMTSCLGAC-UHFFFAOYSA-N 1 0 236.359 2.307 20 30 BEEDRO CC1CCC(O)(C[NH2+]CC2(CC#N)CC2)CC1 ZINC000088255431 356640270 /nfs/dbraw/zinc/64/02/70/356640270.db2.gz GXEYEPNGRRNJNT-UHFFFAOYSA-N 1 0 236.359 2.211 20 30 BEEDRO C[N@H+](CC1CCOCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000336600403 134151228 /nfs/dbraw/zinc/15/12/28/134151228.db2.gz UZNKFFNYRQOCPQ-QWHCGFSZSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000450299380 202124445 /nfs/dbraw/zinc/12/44/45/202124445.db2.gz POSFNYYXACQNRS-GFCCVEGCSA-N 1 0 244.338 2.294 20 30 BEEDRO COCC1(C)CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000336612453 134151541 /nfs/dbraw/zinc/15/15/41/134151541.db2.gz WJXJSOZIKUACII-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H]1C ZINC000336611839 134151637 /nfs/dbraw/zinc/15/16/37/134151637.db2.gz FLXRCZAYKZUBIH-DTWKUNHWSA-N 1 0 205.223 2.282 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000623634912 366314825 /nfs/dbraw/zinc/31/48/25/366314825.db2.gz GLZYHAFVFDHVOC-MGPQQGTHSA-N 1 0 222.376 2.415 20 30 BEEDRO CN1CC[NH+](CCCCC2(C#N)CCC2)CC1 ZINC000675075300 538508942 /nfs/dbraw/zinc/50/89/42/538508942.db2.gz LBHQJQSNOSJOMR-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020084733 134155088 /nfs/dbraw/zinc/15/50/88/134155088.db2.gz JZLWUVXGZQTXNW-SNVBAGLBSA-N 1 0 218.256 2.187 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353076906 134160343 /nfs/dbraw/zinc/16/03/43/134160343.db2.gz CRGUSCBKSRPZCG-NWDGAFQWSA-N 1 0 232.327 2.380 20 30 BEEDRO CC(C)C(N)=[NH+]OCCc1ccc2c(c1)CCO2 ZINC000187226634 535338501 /nfs/dbraw/zinc/33/85/01/535338501.db2.gz WSWXAZMKIICCJV-UHFFFAOYSA-N 1 0 248.326 2.109 20 30 BEEDRO CC(C)C[C@H]1COCC[N@@H+]1CCCCC#N ZINC000113940965 134164048 /nfs/dbraw/zinc/16/40/48/134164048.db2.gz GJMIWEUUINMNJU-ZDUSSCGKSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[N@H+](CCCO)CC(C)(C)CCC#N ZINC000353644709 134164548 /nfs/dbraw/zinc/16/45/48/134164548.db2.gz FFIAAYNJXCLHHD-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1ccc(-n2cncn2)cc1 ZINC000353162046 134162079 /nfs/dbraw/zinc/16/20/79/134162079.db2.gz HGRLXVQGGSUBNF-UHFFFAOYSA-N 1 0 242.326 2.275 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1csnn1 ZINC000628379027 356707775 /nfs/dbraw/zinc/70/77/75/356707775.db2.gz MLWVEVZCNRJOPW-UHFFFAOYSA-N 1 0 211.334 2.230 20 30 BEEDRO C=CCCC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000354372088 134167916 /nfs/dbraw/zinc/16/79/16/134167916.db2.gz LFCKJQVZSXDYHG-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO COCC[C@H](C)[N@H+](C)Cc1ccc(C#N)cc1 ZINC000088494178 356722630 /nfs/dbraw/zinc/72/26/30/356722630.db2.gz JEVQJCAVMGAWSN-LBPRGKRZSA-N 1 0 232.327 2.415 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1CCO[C@H](OC)C1 ZINC000639837563 356830547 /nfs/dbraw/zinc/83/05/47/356830547.db2.gz NBZGQMSXNGEMHM-RYUDHWBXSA-N 1 0 213.321 2.036 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CCCN(C(C)=O)C1 ZINC000355418248 134173157 /nfs/dbraw/zinc/17/31/57/134173157.db2.gz KXLKWNSDVNIRST-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)OCCC[NH+]1CCC(CC#N)CC1 ZINC000542880164 325059938 /nfs/dbraw/zinc/05/99/38/325059938.db2.gz PJVNRYJWTKTMQE-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(CC)nc1 ZINC000389893323 357061579 /nfs/dbraw/zinc/06/15/79/357061579.db2.gz XEBJNLFTITUTIF-LBPRGKRZSA-N 1 0 202.301 2.145 20 30 BEEDRO C=CCCCCCNC(=O)NC(C)(C)CC[NH3+] ZINC000582370553 357112499 /nfs/dbraw/zinc/11/24/99/357112499.db2.gz SODDEZBQOSXCIJ-UHFFFAOYSA-N 1 0 241.379 2.159 20 30 BEEDRO COC1(C[C@@H](C)[NH2+]C[C@H](C)C#N)CCC1 ZINC000389945922 357072781 /nfs/dbraw/zinc/07/27/81/357072781.db2.gz QNOZYBMIULXRTH-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C)nc1 ZINC000156445418 538779628 /nfs/dbraw/zinc/77/96/28/538779628.db2.gz MKOOZBOTYAJHLI-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000358391461 134187985 /nfs/dbraw/zinc/18/79/85/134187985.db2.gz YNLFFCPYFZCKPP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO COC1(C[NH2+]CC2(C#N)CC2)CCCCC1 ZINC000390463919 357094723 /nfs/dbraw/zinc/09/47/23/357094723.db2.gz HBKXGSTXAWESKE-UHFFFAOYSA-N 1 0 222.332 2.229 20 30 BEEDRO C=CCCCCC[NH2+]C(C)(C)C(=O)N(C)C ZINC000390480959 357095518 /nfs/dbraw/zinc/09/55/18/357095518.db2.gz MUBJECHBUAXTLU-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000390799905 357116521 /nfs/dbraw/zinc/11/65/21/357116521.db2.gz XHGOKOXIGARYMX-RYUDHWBXSA-N 1 0 247.404 2.144 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cncn2CC)C1 ZINC000628407023 357202829 /nfs/dbraw/zinc/20/28/29/357202829.db2.gz XEAYRUMKVZGFMF-LBPRGKRZSA-N 1 0 219.332 2.301 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639890539 357206738 /nfs/dbraw/zinc/20/67/38/357206738.db2.gz SAELGAIHJAKOBB-UPJWGTAASA-N 1 0 209.333 2.309 20 30 BEEDRO COC(=O)C[C@@H]1CCCC[N@@H+]1CCCCC#N ZINC000050053238 357282515 /nfs/dbraw/zinc/28/25/15/357282515.db2.gz LCAVZPGXTMGWFL-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C ZINC000393888793 357305642 /nfs/dbraw/zinc/30/56/42/357305642.db2.gz WYPYGQVBVNHFNI-CHWSQXEVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)C ZINC000393888798 357306068 /nfs/dbraw/zinc/30/60/68/357306068.db2.gz WYPYGQVBVNHFNI-STQMWFEESA-N 1 0 238.375 2.093 20 30 BEEDRO CC1(C#N)CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000393376682 357307859 /nfs/dbraw/zinc/30/78/59/357307859.db2.gz LTORNDUNFYWGKI-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C=C(C)C[N@H+](CCC(=O)OCC)CC1CC1 ZINC000050032721 357271025 /nfs/dbraw/zinc/27/10/25/357271025.db2.gz ADXKTSVUYNAKSB-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO COc1cc(CC[NH2+]CCC#N)ccc1C ZINC000582780829 357390526 /nfs/dbraw/zinc/39/05/26/357390526.db2.gz IEGWKDKLBMHWKG-UHFFFAOYSA-N 1 0 218.300 2.049 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccncc1C ZINC000395375896 357434433 /nfs/dbraw/zinc/43/44/33/357434433.db2.gz PBQODJWQNPBGLB-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO N#CCC1CC[NH+](CCc2ccccn2)CC1 ZINC000397310087 357511745 /nfs/dbraw/zinc/51/17/45/357511745.db2.gz RQDVRGKPSKVXSX-UHFFFAOYSA-N 1 0 229.327 2.250 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000397189725 357505854 /nfs/dbraw/zinc/50/58/54/357505854.db2.gz NYKDEJSIBHHWOA-KGLIPLIRSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H](CO)C1CCOCC1 ZINC000360798532 134202174 /nfs/dbraw/zinc/20/21/74/134202174.db2.gz CNBWMZQMYUREDK-KBPBESRZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000359072994 538849195 /nfs/dbraw/zinc/84/91/95/538849195.db2.gz OIIQZADERCNLOJ-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CC#CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000583112860 357476737 /nfs/dbraw/zinc/47/67/37/357476737.db2.gz JKFNQTCMKWCOKP-INIZCTEOSA-N 1 0 241.334 2.479 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CCC(C)(C)C#N ZINC000230892657 357578166 /nfs/dbraw/zinc/57/81/66/357578166.db2.gz QZZJOHHEOXWOMY-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(N(C)C)nc1 ZINC000158143758 538850758 /nfs/dbraw/zinc/85/07/58/538850758.db2.gz PPXGIQXVARAOKQ-UHFFFAOYSA-N 1 0 231.343 2.322 20 30 BEEDRO COCC[N@H+](CC1(C#N)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000362149700 134209003 /nfs/dbraw/zinc/20/90/03/134209003.db2.gz NIGAFDXWUHKTGF-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@H]1CC[C@H](C)C1 ZINC000362157899 134209102 /nfs/dbraw/zinc/20/91/02/134209102.db2.gz QYWOUOPFACALHV-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@@H]1CC[C@@H](C)C1 ZINC000362157895 134209218 /nfs/dbraw/zinc/20/92/18/134209218.db2.gz QYWOUOPFACALHV-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000362150735 134209233 /nfs/dbraw/zinc/20/92/33/134209233.db2.gz HEKDGVPQEHBMCZ-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000362300265 538875792 /nfs/dbraw/zinc/87/57/92/538875792.db2.gz LANATRIKUINWHK-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO CC#CCCCC(=O)N[C@H](C)C[NH+](CC)CC ZINC000362300747 538876032 /nfs/dbraw/zinc/87/60/32/538876032.db2.gz NXPXAIJMRQCTSC-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO CC#CCC[NH+]1CCC([C@@H]2CCCO2)CC1 ZINC000189217500 357610503 /nfs/dbraw/zinc/61/05/03/357610503.db2.gz VEITYIOYAYOWLD-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H](O)CC1CCCC1 ZINC000232135482 357646873 /nfs/dbraw/zinc/64/68/73/357646873.db2.gz WPQQLHYRCRSGBX-OCCSQVGLSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)[C@@H]([NH3+])CNc1nccc(C#N)c1Cl ZINC000232711751 357679813 /nfs/dbraw/zinc/67/98/13/357679813.db2.gz JHKKHYXTVGTDSD-VIFPVBQESA-N 1 0 238.722 2.002 20 30 BEEDRO CC(C)(C#N)CCCC[N@H+](CCO)C1CC1 ZINC000232526897 357663031 /nfs/dbraw/zinc/66/30/31/357663031.db2.gz WWOFQCRFMSIHFC-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCCC#N ZINC000191472472 357772316 /nfs/dbraw/zinc/77/23/16/357772316.db2.gz VEDGPBLWMGHQRP-HNNXBMFYSA-N 1 0 246.354 2.480 20 30 BEEDRO C=CCN(CCOC)Cc1ccccc1C#N ZINC000191760439 357794827 /nfs/dbraw/zinc/79/48/27/357794827.db2.gz LATMWHKXMRHSCQ-UHFFFAOYSA-N 1 0 230.311 2.193 20 30 BEEDRO C[NH+](C)C1CCN(CC#Cc2ccccc2)CC1 ZINC000191936243 357805312 /nfs/dbraw/zinc/80/53/12/357805312.db2.gz ARGJAEVIHPIMQI-UHFFFAOYSA-N 1 0 242.366 2.064 20 30 BEEDRO CC[C@H]1COCCN1CC#Cc1ccccc1 ZINC000192028532 357813736 /nfs/dbraw/zinc/81/37/36/357813736.db2.gz BYCPSPWKSDAEEN-HNNXBMFYSA-N 1 0 229.323 2.149 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)[C@@H]1CO ZINC000235279817 357858988 /nfs/dbraw/zinc/85/89/88/357858988.db2.gz NBKUEAQUWCPYFK-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H](O)COC(C)C ZINC000398070800 357828005 /nfs/dbraw/zinc/82/80/05/357828005.db2.gz JDOVHFUDCUWALJ-STQMWFEESA-N 1 0 229.364 2.107 20 30 BEEDRO C#CCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000370008200 134223991 /nfs/dbraw/zinc/22/39/91/134223991.db2.gz HMNSTKNGPUGANB-OAHLLOKOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000193311132 357873760 /nfs/dbraw/zinc/87/37/60/357873760.db2.gz KWFUVKQPAOGDJS-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC000399147387 357896890 /nfs/dbraw/zinc/89/68/90/357896890.db2.gz XOHLXTKSQDVSRI-OAHLLOKOSA-N 1 0 244.338 2.411 20 30 BEEDRO Cc1cc(C[NH+]2CCC(CCC#N)CC2)n(C)n1 ZINC000399264558 357900639 /nfs/dbraw/zinc/90/06/39/357900639.db2.gz DRZWFWTXNRITGN-UHFFFAOYSA-N 1 0 246.358 2.244 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC12CCC2 ZINC000373104667 134233824 /nfs/dbraw/zinc/23/38/24/134233824.db2.gz QLDATHJGCWHHGV-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000372212502 134230730 /nfs/dbraw/zinc/23/07/30/134230730.db2.gz PTWADHCNTSJSED-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO N#CCN1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121732796 134234944 /nfs/dbraw/zinc/23/49/44/134234944.db2.gz GFYFKOXRBWOCBZ-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C=CCCCCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000304557059 134237855 /nfs/dbraw/zinc/23/78/55/134237855.db2.gz KTODWPKUUCIWKI-ZDUSSCGKSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000304536248 134237967 /nfs/dbraw/zinc/23/79/67/134237967.db2.gz HWLOVFQFMLAHGF-JTQLQIEISA-N 1 0 237.265 2.342 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1CC(C)C ZINC000305092870 134239578 /nfs/dbraw/zinc/23/95/78/134239578.db2.gz QOSQJEUVJHATCW-UONOGXRCSA-N 1 0 241.375 2.060 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1F ZINC000610605144 358011078 /nfs/dbraw/zinc/01/10/78/358011078.db2.gz NAAKGYQWTPRAOX-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO COC[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000610605154 358011279 /nfs/dbraw/zinc/01/12/79/358011279.db2.gz NTMRJBDLLLGEIE-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO CC#CCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000375834644 134240968 /nfs/dbraw/zinc/24/09/68/134240968.db2.gz YRHGSYILNAEPLR-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)c1cnn(C)c1 ZINC000306116545 134243395 /nfs/dbraw/zinc/24/33/95/134243395.db2.gz ZDAXJQKYKGOKRF-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C=CCOCC[NH+]1CCC(CCF)CC1 ZINC000639989553 358031503 /nfs/dbraw/zinc/03/15/03/358031503.db2.gz JABKIIQMJBOTCR-UHFFFAOYSA-N 1 0 215.312 2.261 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000639994517 358033876 /nfs/dbraw/zinc/03/38/76/358033876.db2.gz BCRMUNVUOAUCED-GXSJLCMTSA-N 1 0 240.372 2.429 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)Cc1cn[nH]c1 ZINC000610662169 358047073 /nfs/dbraw/zinc/04/70/73/358047073.db2.gz RIFDGZRYPKQNOX-UHFFFAOYSA-N 1 0 220.320 2.171 20 30 BEEDRO C[C@@H]1C[C@H](NCc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090721034 363596374 /nfs/dbraw/zinc/59/63/74/363596374.db2.gz ARCWPPBLRJARFZ-IUODEOHRSA-N 1 0 243.354 2.131 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1c2ccccc2O[C@@H]1C ZINC000262315071 535390386 /nfs/dbraw/zinc/39/03/86/535390386.db2.gz UGZBCOLJCOBEPJ-MFKMUULPSA-N 1 0 247.342 2.165 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@H]1c2ccccc2O[C@@H]1C ZINC000262315072 535391571 /nfs/dbraw/zinc/39/15/71/535391571.db2.gz UGZBCOLJCOBEPJ-ZWNOBZJWSA-N 1 0 247.342 2.165 20 30 BEEDRO C=C(C)CN1CCC(CC)([NH+](C)C)CC1 ZINC000640018295 358080774 /nfs/dbraw/zinc/08/07/74/358080774.db2.gz SVYRIMYVZAYPMH-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCOC1CCCCC1 ZINC000584585462 358099601 /nfs/dbraw/zinc/09/96/01/358099601.db2.gz FNEIXYPTVRTUST-ZDUSSCGKSA-N 1 0 249.358 2.369 20 30 BEEDRO C=CCCCCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000584664484 358123663 /nfs/dbraw/zinc/12/36/63/358123663.db2.gz HFKXLKPECLYXIM-CQSZACIVSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1ccc(Cl)s1 ZINC000170905960 134255109 /nfs/dbraw/zinc/25/51/09/134255109.db2.gz ZALORDXHMAVNHU-UHFFFAOYSA-N 1 0 243.763 2.382 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640034709 358127901 /nfs/dbraw/zinc/12/79/01/358127901.db2.gz BBJZYSYCDLZEBA-QWHCGFSZSA-N 1 0 209.333 2.025 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1cccc(C#N)c1 ZINC000610740566 358133596 /nfs/dbraw/zinc/13/35/96/358133596.db2.gz ICAKNASWLVYAFK-DOMZBBRYSA-N 1 0 244.338 2.463 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000640067886 358154424 /nfs/dbraw/zinc/15/44/24/358154424.db2.gz MALTYDIWZXSSLJ-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCC[N@@H+]1CCc2nnn(C3CC(C)C3)c2C1 ZINC000640038966 358137803 /nfs/dbraw/zinc/13/78/03/358137803.db2.gz TYEAVWAZADOBFP-UHFFFAOYSA-N 1 0 246.358 2.183 20 30 BEEDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C1CCN(CC#N)CC1 ZINC000610813672 358189736 /nfs/dbraw/zinc/18/97/36/358189736.db2.gz PBRYMUGOJGTKPJ-CHWSQXEVSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000640096188 358191889 /nfs/dbraw/zinc/19/18/89/358191889.db2.gz FOKUBOAPHAPPPK-XQQFMLRXSA-N 1 0 209.333 2.188 20 30 BEEDRO C[C@@]1(CCCO)CCC[N@@H+]1CC1(C#N)CCC1 ZINC000450652794 202227903 /nfs/dbraw/zinc/22/79/03/202227903.db2.gz PKINJWZBAYAIHR-ZDUSSCGKSA-N 1 0 236.359 2.307 20 30 BEEDRO C=C(C)CCNc1cc(N2CCCC2)ncn1 ZINC000450719850 202244282 /nfs/dbraw/zinc/24/42/82/202244282.db2.gz XCFQVSFWVVNFAO-UHFFFAOYSA-N 1 0 232.331 2.455 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCOC1 ZINC000450723958 202246021 /nfs/dbraw/zinc/24/60/21/202246021.db2.gz LCFKOHSZAIDJQY-NWDGAFQWSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000090652854 491129512 /nfs/dbraw/zinc/12/95/12/491129512.db2.gz UTYPICOPBGQWJF-OLZOCXBDSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000090652848 491129513 /nfs/dbraw/zinc/12/95/13/491129513.db2.gz UTYPICOPBGQWJF-CHWSQXEVSA-N 1 0 241.375 2.372 20 30 BEEDRO CCNC(=[NH2+])NCCc1csc2ccccc12 ZINC000264111638 535423179 /nfs/dbraw/zinc/42/31/79/535423179.db2.gz QXEGCJDVBBZVBS-UHFFFAOYSA-N 1 0 247.367 2.368 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](CC)Oc1cccc(C)c1 ZINC000267712305 535423588 /nfs/dbraw/zinc/42/35/88/535423588.db2.gz TUDULDXIPMSSSM-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000293123396 358410691 /nfs/dbraw/zinc/41/06/91/358410691.db2.gz ZHKONMSHRCRCIB-CQSZACIVSA-N 1 0 248.326 2.182 20 30 BEEDRO CCNC(=[NH2+])NCc1ccccc1OCC(C)C ZINC000264123872 535424434 /nfs/dbraw/zinc/42/44/34/535424434.db2.gz VUWXSNGSJADZJQ-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000116926865 358451534 /nfs/dbraw/zinc/45/15/34/358451534.db2.gz KZLRVQARYCTVGO-SNVBAGLBSA-N 1 0 244.342 2.331 20 30 BEEDRO CC[C@H](C(=O)Nc1ccc(CC#N)cc1)[NH+](C)C ZINC000124564070 358518514 /nfs/dbraw/zinc/51/85/14/358518514.db2.gz YFNUZIYTJSLITQ-CYBMUJFWSA-N 1 0 245.326 2.031 20 30 BEEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)C1CC1 ZINC000046060402 358419003 /nfs/dbraw/zinc/41/90/03/358419003.db2.gz BLYBHFCLTWGOMB-UHFFFAOYSA-N 1 0 249.339 2.043 20 30 BEEDRO C=CC1CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000610992805 358424429 /nfs/dbraw/zinc/42/44/29/358424429.db2.gz KSDLPVRLANEFLW-UHFFFAOYSA-N 1 0 227.311 2.351 20 30 BEEDRO C=CC[NH+]1CCC(CCC(=O)OCC)CC1 ZINC000610995782 358424438 /nfs/dbraw/zinc/42/44/38/358424438.db2.gz DNRHUKOXTHCTQE-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000127515223 358563218 /nfs/dbraw/zinc/56/32/18/358563218.db2.gz RCCXQNNOUNLTFM-NWDGAFQWSA-N 1 0 240.416 2.120 20 30 BEEDRO C=CCCCC(=O)NCC[NH+]1CCC(C)CC1 ZINC000175322522 134285107 /nfs/dbraw/zinc/28/51/07/134285107.db2.gz PWWUFWSKQGIOKK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000131928280 358701784 /nfs/dbraw/zinc/70/17/84/358701784.db2.gz PGPMDYJJWRNGRT-ZDUSSCGKSA-N 1 0 218.300 2.111 20 30 BEEDRO C=CCCCC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000175622115 134287753 /nfs/dbraw/zinc/28/77/53/134287753.db2.gz RTTMMJQMMINMLL-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000135015062 358817000 /nfs/dbraw/zinc/81/70/00/358817000.db2.gz LZNUKBCTAJXRCM-FZMZJTMJSA-N 1 0 238.375 2.188 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCS2)o1 ZINC000135505314 325416085 /nfs/dbraw/zinc/41/60/85/325416085.db2.gz UQPYYUGSMAUCEG-LLVKDONJSA-N 1 0 222.313 2.136 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000135015050 358817030 /nfs/dbraw/zinc/81/70/30/358817030.db2.gz LZNUKBCTAJXRCM-SMDDNHRTSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCCC[C@@H]1C ZINC000052877358 358798931 /nfs/dbraw/zinc/79/89/31/358798931.db2.gz SMPMEQBGXYVTQS-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@@H]1C[NH+](CCCC(C)(C)C#N)C[C@@H](C)N1C ZINC000135270068 358828761 /nfs/dbraw/zinc/82/87/61/358828761.db2.gz BQDNILBHRRXUSU-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000135594285 358845592 /nfs/dbraw/zinc/84/55/92/358845592.db2.gz VOEZXKKGYCCWMK-GFCCVEGCSA-N 1 0 219.332 2.305 20 30 BEEDRO Cc1cc(C[NH2+]CC(C)(C)CCC#N)ncn1 ZINC000611134751 358856648 /nfs/dbraw/zinc/85/66/48/358856648.db2.gz ITROORDQMWWZJS-UHFFFAOYSA-N 1 0 232.331 2.205 20 30 BEEDRO CCC(C)(C)CC[NH+]1CCN(CCC#N)CC1 ZINC000611174698 358916066 /nfs/dbraw/zinc/91/60/66/358916066.db2.gz LCLSZCMLEVADIG-UHFFFAOYSA-N 1 0 237.391 2.344 20 30 BEEDRO CO[C@H](C)C[N@H+](Cc1ccc(C#N)o1)C(C)C ZINC000353780809 358890571 /nfs/dbraw/zinc/89/05/71/358890571.db2.gz MJUFRODMJNXMSN-LLVKDONJSA-N 1 0 236.315 2.397 20 30 BEEDRO COCC1([N@H+](C)Cc2ccc(F)c(C#N)c2)CC1 ZINC000611179050 358926496 /nfs/dbraw/zinc/92/64/96/358926496.db2.gz ZSCAPWKFRDPUDF-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO CC1CC[NH+](C[C@@H](C#N)CCC#N)CC1 ZINC000072590026 359087251 /nfs/dbraw/zinc/08/72/51/359087251.db2.gz JXHDNLAPEVDGKM-GFCCVEGCSA-N 1 0 205.305 2.162 20 30 BEEDRO CCOC[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000072975105 359094263 /nfs/dbraw/zinc/09/42/63/359094263.db2.gz CRKVFBGUFHNDPC-CYBMUJFWSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CC[NH+](CC=C)Cc1cccc(C(=O)NC)c1 ZINC000073165380 359097353 /nfs/dbraw/zinc/09/73/53/359097353.db2.gz ZDSDSTLYSPOJQG-UHFFFAOYSA-N 1 0 244.338 2.220 20 30 BEEDRO CCSCC[C@@H](C)[N@H+](C)CC#CCOC ZINC000611194762 359118889 /nfs/dbraw/zinc/11/88/89/359118889.db2.gz KTNDWMOQCWBAJH-GFCCVEGCSA-N 1 0 229.389 2.100 20 30 BEEDRO C[C@H](CO)C[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000611235499 359186117 /nfs/dbraw/zinc/18/61/17/359186117.db2.gz HXSAOAUOZIRZPH-LBPRGKRZSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC2(C#N)CCC2)C1 ZINC000450779919 202263091 /nfs/dbraw/zinc/26/30/91/202263091.db2.gz OWCBDWLHOVNITA-TZMCWYRMSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CCC[C@@H](C[NH+]2CCN(CCC#N)CC2)C1 ZINC000611302825 359306083 /nfs/dbraw/zinc/30/60/83/359306083.db2.gz HUTDBEWKBBNPPI-HUUCEWRRSA-N 1 0 249.402 2.344 20 30 BEEDRO COc1ccc(COCC[NH2+][C@H](C)CC#N)cc1 ZINC000611304460 359307257 /nfs/dbraw/zinc/30/72/57/359307257.db2.gz QKGLTMWYBZVJRQ-GFCCVEGCSA-N 1 0 248.326 2.104 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000284963075 359319129 /nfs/dbraw/zinc/31/91/29/359319129.db2.gz FMCMKAFIJZUQCO-WFASDCNBSA-N 1 0 247.338 2.296 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@H]1CCCc2cc(C#N)ccc21 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CCCn1cc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000449444477 200681284 /nfs/dbraw/zinc/68/12/84/200681284.db2.gz ASAUBGISQYISRE-JSGCOSHPSA-N 1 0 246.358 2.465 20 30 BEEDRO N#CCCC[NH2+][C@@H](CCCO)c1ccccc1 ZINC000271753087 200755818 /nfs/dbraw/zinc/75/58/18/200755818.db2.gz GGSKQSLXFWFROT-AWEZNQCLSA-N 1 0 232.327 2.394 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](C)NC1 ZINC000629397795 361047523 /nfs/dbraw/zinc/04/75/23/361047523.db2.gz ZXSZECBEBVPKPZ-CYDGBPFRSA-N 1 0 210.365 2.317 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@H]2CCC[C@H](C)C2)nn1 ZINC000424171022 200874578 /nfs/dbraw/zinc/87/45/78/200874578.db2.gz LACBQLWYJUXUFQ-STQMWFEESA-N 1 0 248.374 2.380 20 30 BEEDRO CCN(C(=O)[C@@H]([NH3+])CCCC#N)c1ccccc1 ZINC000424085783 200857110 /nfs/dbraw/zinc/85/71/10/200857110.db2.gz ZRESVSIMWFBGQY-ZDUSSCGKSA-N 1 0 245.326 2.061 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cc(C)on1 ZINC000424294740 200901486 /nfs/dbraw/zinc/90/14/86/200901486.db2.gz LJPDQXRMFGISPA-GVXVVHGQSA-N 1 0 236.315 2.225 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)c1cnc(C)cn1 ZINC000428320185 201009899 /nfs/dbraw/zinc/00/98/99/201009899.db2.gz RXGICLBGXBMSRH-LLVKDONJSA-N 1 0 205.305 2.354 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000428441847 201018785 /nfs/dbraw/zinc/01/87/85/201018785.db2.gz XXJNGHFCOIHLJQ-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1CCC(C)(OCC)CC1 ZINC000428721009 201037408 /nfs/dbraw/zinc/03/74/08/201037408.db2.gz LULNQVAXMORGSQ-CYBMUJFWSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOCCC[NH+]1CCC(C)(OCC)CC1 ZINC000428737514 201040087 /nfs/dbraw/zinc/04/00/87/201040087.db2.gz YAYGVLKMSPROQH-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000640622840 361336466 /nfs/dbraw/zinc/33/64/66/361336466.db2.gz CJUNSTBYMIIKDE-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN(CCC#N)CC[C@@H]1CCCC[N@H+]1C ZINC000428867468 201046893 /nfs/dbraw/zinc/04/68/93/201046893.db2.gz NPIDLUVBFMOIBO-AWEZNQCLSA-N 1 0 235.375 2.262 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H](CC(C)C)C(=O)OC ZINC000429138385 201072147 /nfs/dbraw/zinc/07/21/47/201072147.db2.gz ULDCJQMSVZTJIL-LBPRGKRZSA-N 1 0 227.348 2.472 20 30 BEEDRO C=CC[C@@H]1[N@H+](CC(=O)OC)CCCC1(C)C ZINC000428972724 201055840 /nfs/dbraw/zinc/05/58/40/201055840.db2.gz BROSONAOWHMLPE-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)Cc1ccccc1F ZINC000162568362 361356109 /nfs/dbraw/zinc/35/61/09/361356109.db2.gz KTISONVVBQNBDI-WDEREUQCSA-N 1 0 205.276 2.368 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163189743 361389129 /nfs/dbraw/zinc/38/91/29/361389129.db2.gz XOLSQUIEQGOSKS-XQQFMLRXSA-N 1 0 209.333 2.188 20 30 BEEDRO CCC(CC)[C@H](CC[NH2+]CCC#N)OC ZINC000579345381 366764265 /nfs/dbraw/zinc/76/42/65/366764265.db2.gz ZWLLOUZSQZXVII-LBPRGKRZSA-N 1 0 212.337 2.331 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CC2(C#N)CC2)C[C@@H]1OC ZINC000429283521 201093443 /nfs/dbraw/zinc/09/34/43/201093443.db2.gz HFQYFFGSSZKCDK-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](CSC)C1 ZINC000429281807 201093587 /nfs/dbraw/zinc/09/35/87/201093587.db2.gz XPEVBLOODJATKQ-STQMWFEESA-N 1 0 243.416 2.389 20 30 BEEDRO Cn1ccc(C[NH2+]Cc2ccc(CC#N)cc2)c1 ZINC000579352799 366767268 /nfs/dbraw/zinc/76/72/68/366767268.db2.gz MALACITYGSRHES-UHFFFAOYSA-N 1 0 239.322 2.381 20 30 BEEDRO CCc1cc(C#N)ccc1OCC[C@H]1CC[NH2+]C1 ZINC000579462677 366812979 /nfs/dbraw/zinc/81/29/79/366812979.db2.gz IIPSQDIGLWCRIW-GFCCVEGCSA-N 1 0 244.338 2.499 20 30 BEEDRO CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181414294 366809597 /nfs/dbraw/zinc/80/95/97/366809597.db2.gz KVPDXSFGBWFJGZ-UHFFFAOYSA-N 1 0 243.354 2.132 20 30 BEEDRO N#CCC1(C[NH2+]Cc2cnn3ccccc23)CC1 ZINC000430070370 201140599 /nfs/dbraw/zinc/14/05/99/201140599.db2.gz DCUJRPZHFHHVEY-UHFFFAOYSA-N 1 0 240.310 2.118 20 30 BEEDRO C=CC(C)(C)CC[NH2+]CC1(O)CCCC1 ZINC000629588107 361478098 /nfs/dbraw/zinc/47/80/98/361478098.db2.gz HVUYSULFJASPJN-UHFFFAOYSA-N 1 0 211.349 2.483 20 30 BEEDRO 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C=CC(C)(C)C(=O)NCCC[NH+](CC)CC ZINC000448562803 201281115 /nfs/dbraw/zinc/28/11/15/201281115.db2.gz DRRDPENBZNAVDR-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cccnc1C ZINC000435752805 201285938 /nfs/dbraw/zinc/28/59/38/201285938.db2.gz ZWDKWBQLTPWBRB-HUUCEWRRSA-N 1 0 246.354 2.461 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(C)cn1 ZINC000435737892 201286553 /nfs/dbraw/zinc/28/65/53/201286553.db2.gz MTTQXLNSPPJPTI-HIFRSBDPSA-N 1 0 246.354 2.461 20 30 BEEDRO C=CCC1(C(=O)NCC[NH+](C)C)CCCCC1 ZINC000448565925 201298499 /nfs/dbraw/zinc/29/84/99/201298499.db2.gz XVFSCIMBWSJNTC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCN(CCC[NH2+]C)Cc1ccc(OC)cc1 ZINC000435878305 201292971 /nfs/dbraw/zinc/29/29/71/201292971.db2.gz BEECUZBQFFYUCX-UHFFFAOYSA-N 1 0 248.370 2.293 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C1CC(OCC)C1 ZINC000436293891 201318732 /nfs/dbraw/zinc/31/87/32/201318732.db2.gz NMTIOHYSFQLPRL-ABXWRUBCSA-N 1 0 239.359 2.125 20 30 BEEDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000437090127 201343582 /nfs/dbraw/zinc/34/35/82/201343582.db2.gz ABRDICIPYMQQPH-ONGXEEELSA-N 1 0 236.290 2.119 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000614402259 363806269 /nfs/dbraw/zinc/80/62/69/363806269.db2.gz OPKSGURHTDUTGN-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO CC#CCC[N@@H+]1CCS[C@@H](C(C)C)C1 ZINC000155863381 201359562 /nfs/dbraw/zinc/35/95/62/201359562.db2.gz YQBPWNJUDKEMLR-GFCCVEGCSA-N 1 0 211.374 2.473 20 30 BEEDRO C[C@H]1C[C@@H](Nc2ccc(C#N)cc2)CC[N@@H+]1C ZINC000090794963 363880969 /nfs/dbraw/zinc/88/09/69/363880969.db2.gz ZSENAZOHIKPGMF-FZMZJTMJSA-N 1 0 229.327 2.453 20 30 BEEDRO C[C@H]([NH2+]CCC1CC(O)C1)c1ccc(C#N)cc1 ZINC000432416217 192942074 /nfs/dbraw/zinc/94/20/74/192942074.db2.gz YTHCMKYBBVNPPW-ZOODHJKOSA-N 1 0 244.338 2.370 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CC[C@H]1c1ccccc1 ZINC000619718646 363917117 /nfs/dbraw/zinc/91/71/17/363917117.db2.gz SFPLBMOKSRSRDD-STQMWFEESA-N 1 0 231.295 2.161 20 30 BEEDRO C=C[C@H](C(=O)OC)N1C[C@@H](C)CC(C)(C)C1 ZINC000619720342 363923991 /nfs/dbraw/zinc/92/39/91/363923991.db2.gz CRDIUGGOWZUREZ-WDEREUQCSA-N 1 0 225.332 2.082 20 30 BEEDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]C1CCN(CC#N)CC1 ZINC000619723720 363967063 /nfs/dbraw/zinc/96/70/63/363967063.db2.gz RXVSOCHOPRPCTF-YUELXQCFSA-N 1 0 247.386 2.143 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](C)[C@H](O)C(F)(F)F ZINC000631716352 364094737 /nfs/dbraw/zinc/09/47/37/364094737.db2.gz KYTVFUWDOLKIIA-CIUDSAMLSA-N 1 0 225.254 2.242 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)Cc1cn[nH]c1 ZINC000614963033 364236271 /nfs/dbraw/zinc/23/62/71/364236271.db2.gz QFLGDRCYHREOLT-NSHDSACASA-N 1 0 240.310 2.474 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000452771588 202651359 /nfs/dbraw/zinc/65/13/59/202651359.db2.gz ADOWKXHQHDQQIQ-NSHDSACASA-N 1 0 240.391 2.482 20 30 BEEDRO CC[C@H]1C[N@H+](CCCSCC#N)CCS1 ZINC000074991896 364302438 /nfs/dbraw/zinc/30/24/38/364302438.db2.gz MWRBBNHJQYNDGU-NSHDSACASA-N 1 0 244.429 2.461 20 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BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615305901 364683370 /nfs/dbraw/zinc/68/33/70/364683370.db2.gz YHRYKXUUOKLMBK-YRGRVCCFSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@@H](CC(=O)NC[C@@H](C)C[NH3+])c1ccccc1 ZINC000573327403 364801085 /nfs/dbraw/zinc/80/10/85/364801085.db2.gz IXYCFEMBDXMKEN-STQMWFEESA-N 1 0 246.354 2.057 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000295110849 364779087 /nfs/dbraw/zinc/77/90/87/364779087.db2.gz XICYKXWOODPZGF-AWEZNQCLSA-N 1 0 230.355 2.292 20 30 BEEDRO C=CCCCC[N@@H+](CC)CCC(=O)OC ZINC000573535179 364855209 /nfs/dbraw/zinc/85/52/09/364855209.db2.gz KNPJFFCGJGKHHP-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCCCn1ccnc1 ZINC000573558620 364860125 /nfs/dbraw/zinc/86/01/25/364860125.db2.gz XHFLSKLJLFWXHY-UHFFFAOYSA-N 1 0 249.358 2.382 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC001642120455 1172324085 /nfs/dbraw/zinc/32/40/85/1172324085.db2.gz NILZTSDOLXHCIM-QWHCGFSZSA-N 1 0 231.343 2.391 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000602723392 541385210 /nfs/dbraw/zinc/38/52/10/541385210.db2.gz FWAUIOORVNRJAK-HOFDXXJLSA-N 1 0 234.343 2.226 20 30 BEEDRO COc1ccncc1CN1CCC[C@@H](CC#N)C1 ZINC000397664235 541399857 /nfs/dbraw/zinc/39/98/57/541399857.db2.gz ONBXBBLJNKCFRP-LBPRGKRZSA-N 1 0 245.326 2.216 20 30 BEEDRO C=CCCCC[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000574031173 364970936 /nfs/dbraw/zinc/97/09/36/364970936.db2.gz UOXSPEUZJYMQAL-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO COCC1([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000574033288 364971388 /nfs/dbraw/zinc/97/13/88/364971388.db2.gz PYISSPLSHFHKLA-UHFFFAOYSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2n[nH]cc2C1 ZINC000574011395 364966650 /nfs/dbraw/zinc/96/66/50/364966650.db2.gz SOEILLQHQZKFEF-UHFFFAOYSA-N 1 0 205.305 2.124 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)c1cc2n(n1)CCC2 ZINC000574173012 365003804 /nfs/dbraw/zinc/00/38/04/365003804.db2.gz KGHPZQKOVQQRTI-NSHDSACASA-N 1 0 244.342 2.174 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C1(COC)CCOCC1 ZINC000574471528 365070518 /nfs/dbraw/zinc/07/05/18/365070518.db2.gz WJUKKSROSBAGHG-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO COC[C@@H]([NH2+]CC1CCC(C#N)CC1)C1CC1 ZINC000442865452 192998108 /nfs/dbraw/zinc/99/81/08/192998108.db2.gz FXDWGTCYFJCUPP-ORHYLEIMSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCCCC#N ZINC000443340043 193017655 /nfs/dbraw/zinc/01/76/55/193017655.db2.gz FJEPCKLGRJNRBC-FRRDWIJNSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@](C)(CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443963381 193032048 /nfs/dbraw/zinc/03/20/48/193032048.db2.gz HTOJPMXIQQPFNO-CQSZACIVSA-N 1 0 232.327 2.117 20 30 BEEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C#N)cc1F ZINC000443510927 193023682 /nfs/dbraw/zinc/02/36/82/193023682.db2.gz NUVGKILMRFCHRT-QWRGUYRKSA-N 1 0 247.317 2.226 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000171956838 365262334 /nfs/dbraw/zinc/26/23/34/365262334.db2.gz CNJDYTLDQRWGRU-NSHDSACASA-N 1 0 242.363 2.408 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)CC ZINC000172325081 365312131 /nfs/dbraw/zinc/31/21/31/365312131.db2.gz BUKXEWIYYVRNCC-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCSCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336682794 365351050 /nfs/dbraw/zinc/35/10/50/365351050.db2.gz IPPPJHCOCBMAFB-MNOVXSKESA-N 1 0 210.346 2.187 20 30 BEEDRO C[N@H+](CCOCCC#N)C1CCCCC1 ZINC000338899313 365440153 /nfs/dbraw/zinc/44/01/53/365440153.db2.gz FZTZIPFIWGIPLV-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CC(C)[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000338925796 365442135 /nfs/dbraw/zinc/44/21/35/365442135.db2.gz RBZYCQXGGIWWSM-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCCOCC[NH+](CC1CC1)CC1CC1 ZINC000339036792 365446601 /nfs/dbraw/zinc/44/66/01/365446601.db2.gz QJWDOAYQQXUZHJ-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCCCC[N@@H+](CCC)CC(=O)OC ZINC000576193627 365516972 /nfs/dbraw/zinc/51/69/72/365516972.db2.gz JEJZMVGZXJUYJQ-UHFFFAOYSA-N 1 0 213.321 2.228 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000579606784 366904276 /nfs/dbraw/zinc/90/42/76/366904276.db2.gz NJJMIKFYGAOYKT-OCCSQVGLSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCCC[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000576106389 365488536 /nfs/dbraw/zinc/48/85/36/365488536.db2.gz SYEWNNVOBUXRON-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCCCNC(=O)[C@@](C)([NH3+])CCC ZINC000576121949 365493876 /nfs/dbraw/zinc/49/38/76/365493876.db2.gz RSHRGRCSZSERPJ-ZDUSSCGKSA-N 1 0 226.364 2.367 20 30 BEEDRO C=C(CC)C[NH+]1CCC(CCCO)CC1 ZINC000360090710 366915217 /nfs/dbraw/zinc/91/52/17/366915217.db2.gz YLUCHYIVGWLLJN-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO C[C@@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCOC1 ZINC000361766653 366954196 /nfs/dbraw/zinc/95/41/96/366954196.db2.gz OKQVAEOYBPPKCU-GDBMZVCRSA-N 1 0 243.350 2.443 20 30 BEEDRO CC(C)C[C@H]([NH3+])CN1CCC(CCC#N)CC1 ZINC000579837666 367041166 /nfs/dbraw/zinc/04/11/66/367041166.db2.gz LSLZDSHRMJJFEA-AWEZNQCLSA-N 1 0 237.391 2.376 20 30 BEEDRO Cn1cnc2cc(Nc3ccncc3C#N)ccc21 ZINC000580024849 367135578 /nfs/dbraw/zinc/13/55/78/367135578.db2.gz OHFRNUSXKFDIKB-UHFFFAOYSA-N 1 0 249.277 2.005 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(n1)CCC2 ZINC000579924977 367084026 /nfs/dbraw/zinc/08/40/26/367084026.db2.gz JDFNFAGWQMKQLI-UHFFFAOYSA-N 1 0 202.301 2.188 20 30 BEEDRO N#CCCC[NH2+]Cc1cnc(C2CC2)s1 ZINC000380175859 367150889 /nfs/dbraw/zinc/15/08/89/367150889.db2.gz JVSBXFFAPBFRPV-UHFFFAOYSA-N 1 0 221.329 2.414 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CCCCC1 ZINC000193225880 367157245 /nfs/dbraw/zinc/15/72/45/367157245.db2.gz GRMYXCOHJLSQKG-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccnc(C#N)c2)C1 ZINC000068765519 370844420 /nfs/dbraw/zinc/84/44/20/370844420.db2.gz GQADWJBPFTXOQH-TXEJJXNPSA-N 1 0 229.327 2.431 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(CC#N)cc1 ZINC000581072345 367253823 /nfs/dbraw/zinc/25/38/23/367253823.db2.gz XUHOTNZMDZWPKB-VXGBXAGGSA-N 1 0 232.327 2.266 20 30 BEEDRO C=C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000382599642 367547080 /nfs/dbraw/zinc/54/70/80/367547080.db2.gz QAWHVXHHTPCNSM-RDBSUJKOSA-N 1 0 248.370 2.086 20 30 BEEDRO C[C@H]([N@H+](C)CCC(C)(C)C#N)C(C)(C)O ZINC000382999545 367584157 /nfs/dbraw/zinc/58/41/57/367584157.db2.gz ZEICCMPUBFCGEU-JTQLQIEISA-N 1 0 212.337 2.017 20 30 BEEDRO C[C@@H]1CCN(CC[NH2+]C2CCC(C)(C#N)CC2)C1 ZINC000581588369 367615450 /nfs/dbraw/zinc/61/54/50/367615450.db2.gz OERUTFKZYAUMRZ-WLYUNCDWSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@H](C)C1 ZINC000385270167 367814696 /nfs/dbraw/zinc/81/46/96/367814696.db2.gz XETVVTWYSMVKHY-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@H](CO)[C@@H]1C ZINC000385769535 367863412 /nfs/dbraw/zinc/86/34/12/367863412.db2.gz GNPJUYCDJNYBKN-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(OC)ns1 ZINC000399253986 368047158 /nfs/dbraw/zinc/04/71/58/368047158.db2.gz GLHAOTBHBNSAOP-QMMMGPOBSA-N 1 0 212.318 2.206 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](O)C(F)F ZINC000631695883 368007365 /nfs/dbraw/zinc/00/73/65/368007365.db2.gz CASCMKJLBQQDGE-AEJSXWLSSA-N 1 0 221.291 2.193 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](O)C(F)F ZINC000631695885 368007567 /nfs/dbraw/zinc/00/75/67/368007567.db2.gz CASCMKJLBQQDGE-IVZWLZJFSA-N 1 0 221.291 2.193 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000386888715 368031732 /nfs/dbraw/zinc/03/17/32/368031732.db2.gz NGADORFMFVMDSW-UHFFFAOYSA-N 1 0 244.342 2.333 20 30 BEEDRO Cc1ccc(-c2csc(NC(N)=[NH2+])n2)s1 ZINC000030005242 368246089 /nfs/dbraw/zinc/24/60/89/368246089.db2.gz OVEHKLVKWDVSPN-UHFFFAOYSA-N 1 0 238.341 2.085 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)CCCSCC#N ZINC000080626624 368525219 /nfs/dbraw/zinc/52/52/19/368525219.db2.gz KNSNUUVVKGKWDA-SNVBAGLBSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000456316026 202933468 /nfs/dbraw/zinc/93/34/68/202933468.db2.gz CUTQIEVZHHXVBA-YHWZYXNKSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)c1cccc(C)c1 ZINC000066243892 368642610 /nfs/dbraw/zinc/64/26/10/368642610.db2.gz PJZVJWOSELAECH-UHFFFAOYSA-N 1 0 245.370 2.363 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(C(=O)NC)cc1 ZINC000066951121 368670731 /nfs/dbraw/zinc/67/07/31/368670731.db2.gz VMILIRHOSGCFAO-UHFFFAOYSA-N 1 0 244.338 2.220 20 30 BEEDRO CCC(N)=[NH+]OCCCOc1ccccc1 ZINC000067385692 368687223 /nfs/dbraw/zinc/68/72/23/368687223.db2.gz VFOOBTHBEDOXDS-UHFFFAOYSA-N 1 0 222.288 2.154 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457132284 203010722 /nfs/dbraw/zinc/01/07/22/203010722.db2.gz UPUFVOUAFGUEOC-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC1(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)CCC1 ZINC000457358453 203043992 /nfs/dbraw/zinc/04/39/92/203043992.db2.gz CIQMJBXOCNYYLO-VXGBXAGGSA-N 1 0 236.359 2.071 20 30 BEEDRO CNC(NCC1(Sc2ccccc2)CC1)=[NH+]C ZINC000069673515 368758106 /nfs/dbraw/zinc/75/81/06/368758106.db2.gz FSBVGZIOVLSKEN-UHFFFAOYSA-N 1 0 249.383 2.106 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)C#N)C12CCC2 ZINC000083684805 368804046 /nfs/dbraw/zinc/80/40/46/368804046.db2.gz PLPHPWNNWORPOR-SDDRHHMPSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCOc1ccc(C[N@H+](C)CCCO)cc1 ZINC000072822713 368781282 /nfs/dbraw/zinc/78/12/82/368781282.db2.gz TVWYOTFUCCYBCK-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N1CCC[C@H](C)C1 ZINC000072891998 368783458 /nfs/dbraw/zinc/78/34/58/368783458.db2.gz IUZUGJFCCNBBSW-NSHDSACASA-N 1 0 235.331 2.087 20 30 BEEDRO CC(C)C[C@@H](C)C[NH+]1CCN(CCC#N)CC1 ZINC000619621056 368919343 /nfs/dbraw/zinc/91/93/43/368919343.db2.gz REIBGZBGNCABPP-CQSZACIVSA-N 1 0 237.391 2.200 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCCCn2ccnc2)C1 ZINC000618565186 369174605 /nfs/dbraw/zinc/17/46/05/369174605.db2.gz JZMDOHAFAGXPNI-KBPBESRZSA-N 1 0 246.358 2.335 20 30 BEEDRO Cc1cc(NC(=O)[C@H](C)C#N)ccc1C[NH+](C)C ZINC000458283716 203153313 /nfs/dbraw/zinc/15/33/13/203153313.db2.gz MHELLHACMFJYOB-LLVKDONJSA-N 1 0 245.326 2.155 20 30 BEEDRO Cc1cc(NC(=O)[C@@H](C)C#N)ccc1C[NH+](C)C ZINC000458283719 203153680 /nfs/dbraw/zinc/15/36/80/203153680.db2.gz MHELLHACMFJYOB-NSHDSACASA-N 1 0 245.326 2.155 20 30 BEEDRO C=CCCCCC[NH+]1CCN(CCC#N)CC1 ZINC000618752507 369210124 /nfs/dbraw/zinc/21/01/24/369210124.db2.gz BMSPMWHGZSMUAV-UHFFFAOYSA-N 1 0 235.375 2.264 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000618887759 369235386 /nfs/dbraw/zinc/23/53/86/369235386.db2.gz HMKDYTCSAOHOIA-MCIONIFRSA-N 1 0 237.391 2.341 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]CCCCC#N)[C@@H]1SC ZINC000459403545 203273737 /nfs/dbraw/zinc/27/37/37/203273737.db2.gz HDFNHIICZVVKIW-UTUOFQBUSA-N 1 0 242.388 2.179 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459406001 203277006 /nfs/dbraw/zinc/27/70/06/203277006.db2.gz GBZJZLJNLNOZNB-JTQLQIEISA-N 1 0 217.316 2.408 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000459438476 203279620 /nfs/dbraw/zinc/27/96/20/203279620.db2.gz HQUJBKNIAMFJGX-SECBINFHSA-N 1 0 203.289 2.018 20 30 BEEDRO C=C(C)CC[NH+]1[C@@H](C)CN(CC)C[C@@H]1C ZINC000459455588 203283295 /nfs/dbraw/zinc/28/32/95/203283295.db2.gz GJJWVJDDSXCXSZ-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000459453555 203284057 /nfs/dbraw/zinc/28/40/57/203284057.db2.gz XPBFSTBFUPOEPA-ZDCRXTMVSA-N 1 0 215.362 2.060 20 30 BEEDRO C=CCOc1ccc(C[NH+]2CC(CCO)C2)cc1 ZINC000459592178 203310480 /nfs/dbraw/zinc/31/04/80/203310480.db2.gz MRDGBAYPDZNKEG-UHFFFAOYSA-N 1 0 247.338 2.066 20 30 BEEDRO C=CC[N@@H+](CCCO)Cc1ccccc1F ZINC000056512316 369361131 /nfs/dbraw/zinc/36/11/31/369361131.db2.gz KZQWPOYXAWZWDQ-UHFFFAOYSA-N 1 0 223.291 2.196 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000459569012 203301100 /nfs/dbraw/zinc/30/11/00/203301100.db2.gz CPQHCXVXHJMJLU-UTUOFQBUSA-N 1 0 229.389 2.451 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)C1CCOCC1 ZINC000405088198 369444818 /nfs/dbraw/zinc/44/48/18/369444818.db2.gz OQHQDDUJCBHINM-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO COCC[N@H+](CCC#N)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403642555 369408348 /nfs/dbraw/zinc/40/83/48/369408348.db2.gz PNZABYYYWLCDQO-MCIONIFRSA-N 1 0 236.359 2.285 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000459627385 203322531 /nfs/dbraw/zinc/32/25/31/203322531.db2.gz DVVFLGFXVAKUPA-XQHKEYJVSA-N 1 0 222.332 2.226 20 30 BEEDRO Cc1cc(C[NH2+]CCCCC#N)sn1 ZINC000404338431 369426990 /nfs/dbraw/zinc/42/69/90/369426990.db2.gz CZSHBUPBUVGGHG-UHFFFAOYSA-N 1 0 209.318 2.235 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000459643436 203329353 /nfs/dbraw/zinc/32/93/53/203329353.db2.gz IAQZESQBGHGSBT-PHIMTYICSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)(C)[C@@H](O)CN1Cc2cccc(C#N)c2C1 ZINC000405068453 369443548 /nfs/dbraw/zinc/44/35/48/369443548.db2.gz ZOZAIGYALKAABH-AWEZNQCLSA-N 1 0 244.338 2.281 20 30 BEEDRO CCOC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000405217550 369449710 /nfs/dbraw/zinc/44/97/10/369449710.db2.gz JJIKXEQIIURKJF-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO COC1(C[NH2+]CC(C)(C)CC#N)CCCC1 ZINC000459727611 203344058 /nfs/dbraw/zinc/34/40/58/203344058.db2.gz HJRRTVCAFHAIFM-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1cccc2nccn21 ZINC000459733817 203344510 /nfs/dbraw/zinc/34/45/10/203344510.db2.gz RAFXJXQBOYRFTR-UHFFFAOYSA-N 1 0 242.326 2.364 20 30 BEEDRO Cc1ncsc1C[NH2+]CC(C)(C)CC#N ZINC000459731181 203345091 /nfs/dbraw/zinc/34/50/91/203345091.db2.gz MSUBDAAICDKOQD-UHFFFAOYSA-N 1 0 223.345 2.481 20 30 BEEDRO CCSCC[NH2+]CC(C)(C)CC#N ZINC000459730109 203345172 /nfs/dbraw/zinc/34/51/72/203345172.db2.gz LLTNLSXEJXPOEB-UHFFFAOYSA-N 1 0 200.351 2.269 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000459733159 203345939 /nfs/dbraw/zinc/34/59/39/203345939.db2.gz AGPGHDAUDRKXFS-XQHKEYJVSA-N 1 0 222.332 2.226 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)C1 ZINC000259966011 370958276 /nfs/dbraw/zinc/95/82/76/370958276.db2.gz JSCZUZHZILQBEX-QWHCGFSZSA-N 1 0 222.332 2.039 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000459738988 203350037 /nfs/dbraw/zinc/35/00/37/203350037.db2.gz KDKURFDIBZHFDB-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)o1 ZINC000459748188 203354131 /nfs/dbraw/zinc/35/41/31/203354131.db2.gz GOOFBNTYTVQHNU-JIMOISOXSA-N 1 0 216.284 2.429 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000459777566 203365636 /nfs/dbraw/zinc/36/56/36/203365636.db2.gz WEBLGWGGODBJFX-CHWSQXEVSA-N 1 0 239.359 2.126 20 30 BEEDRO C[N@H+](CC1CCOCC1)[C@H]1CCC[C@H]1C#N ZINC000250494645 369537970 /nfs/dbraw/zinc/53/79/70/369537970.db2.gz YZEYGNBLTSZXKJ-STQMWFEESA-N 1 0 222.332 2.037 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)C#N)C12CCCC2 ZINC000250519199 369539134 /nfs/dbraw/zinc/53/91/34/369539134.db2.gz PLFYZFOWTXEMAX-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO CC[N@@H+]1CCN(Cc2ccc(C#N)cc2)C[C@H]1C ZINC000250355990 369511375 /nfs/dbraw/zinc/51/13/75/369511375.db2.gz SEKPKMUNZXVXOK-CYBMUJFWSA-N 1 0 243.354 2.084 20 30 BEEDRO Cc1noc(C)c1CCN(CCC#N)CC1CC1 ZINC000166247022 203388136 /nfs/dbraw/zinc/38/81/36/203388136.db2.gz ISLHJLPRWJTKPN-UHFFFAOYSA-N 1 0 247.342 2.460 20 30 BEEDRO Cc1ccc(CN2CC[NH2+]CC2(C)C)cc1C#N ZINC000600704723 369559269 /nfs/dbraw/zinc/55/92/69/369559269.db2.gz PGZYBTBDRLKFKR-UHFFFAOYSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1ccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)cc1C#N ZINC000600710803 369559385 /nfs/dbraw/zinc/55/93/85/369559385.db2.gz PJRVVWAZJNZHAE-STQMWFEESA-N 1 0 243.354 2.049 20 30 BEEDRO Cc1ccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)cc1C#N ZINC000600709020 369559451 /nfs/dbraw/zinc/55/94/51/369559451.db2.gz NJYPRWREXANFQN-BETUJISGSA-N 1 0 243.354 2.049 20 30 BEEDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C#N)c(F)c1 ZINC000600714932 369560785 /nfs/dbraw/zinc/56/07/85/369560785.db2.gz VQSHQSMXSJIERE-ISTVAULSSA-N 1 0 247.317 2.098 20 30 BEEDRO Cc1ccc(CN2C[C@H](C)[NH2+]C[C@H]2C)cc1C#N ZINC000600710802 369561252 /nfs/dbraw/zinc/56/12/52/369561252.db2.gz PJRVVWAZJNZHAE-QWHCGFSZSA-N 1 0 243.354 2.049 20 30 BEEDRO C[C@@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc(C#N)c1 ZINC000600711239 369561280 /nfs/dbraw/zinc/56/12/80/369561280.db2.gz RXGWUBMHHWPHRI-LALPHHSUSA-N 1 0 243.354 2.349 20 30 BEEDRO N#CCN1CCC([NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000619753526 369572971 /nfs/dbraw/zinc/57/29/71/369572971.db2.gz KZPPIEJZPGNVSQ-GJZGRUSLSA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2cccc(F)c2C#N)CCCO1 ZINC000602015182 369737173 /nfs/dbraw/zinc/73/71/73/369737173.db2.gz ZAIJKZZJMNTFIX-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO COCC1(C[NH2+]Cc2cccc(F)c2C#N)CC1 ZINC000602027672 369738164 /nfs/dbraw/zinc/73/81/64/369738164.db2.gz IDKIVOGAKXJRRB-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972150 369730378 /nfs/dbraw/zinc/73/03/78/369730378.db2.gz ITSFSGXVUKDBAJ-TUKIKUTGSA-N 1 0 242.322 2.197 20 30 BEEDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cccc(F)c1C#N ZINC000602007778 369734174 /nfs/dbraw/zinc/73/41/74/369734174.db2.gz XQFHBBQSNVCSSZ-MWLCHTKSSA-N 1 0 218.275 2.443 20 30 BEEDRO CO[C@H](C[NH2+]Cc1cccc(F)c1C#N)C1CC1 ZINC000602026027 369736723 /nfs/dbraw/zinc/73/67/23/369736723.db2.gz UGXFWYCVXZAINZ-CQSZACIVSA-N 1 0 248.301 2.212 20 30 BEEDRO N#Cc1cccc(C[NH2+]C[C@@H]2Cc3ccccc32)n1 ZINC000602538287 369808459 /nfs/dbraw/zinc/80/84/59/369808459.db2.gz BWMBCZFZICUGDJ-ZDUSSCGKSA-N 1 0 249.317 2.383 20 30 BEEDRO CC(C)([NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602549065 369809760 /nfs/dbraw/zinc/80/97/60/369809760.db2.gz YXPZBSYIKQAFML-UHFFFAOYSA-N 1 0 215.300 2.231 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CC=CCC2)n1 ZINC000602553303 369812097 /nfs/dbraw/zinc/81/20/97/369812097.db2.gz RXLAUAQKBDKDRI-LLVKDONJSA-N 1 0 213.284 2.152 20 30 BEEDRO CC[C@H](CSC)[NH2+]Cc1cccc(C#N)n1 ZINC000602582176 369812174 /nfs/dbraw/zinc/81/21/74/369812174.db2.gz LYFNZTZNEQNIQC-SNVBAGLBSA-N 1 0 235.356 2.184 20 30 BEEDRO CC1(C)C[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602567090 369815219 /nfs/dbraw/zinc/81/52/19/369815219.db2.gz UQQBSADGXWKNRO-SNVBAGLBSA-N 1 0 215.300 2.089 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC2(C3CC3)CC2)n1 ZINC000602583986 369818536 /nfs/dbraw/zinc/81/85/36/369818536.db2.gz VCECTQRQKSVJRN-UHFFFAOYSA-N 1 0 227.311 2.233 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CCCCO1 ZINC000602588277 369819666 /nfs/dbraw/zinc/81/96/66/369819666.db2.gz UMOZVIYHRXLDQM-SMDDNHRTSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000251468566 369820978 /nfs/dbraw/zinc/82/09/78/369820978.db2.gz BFZXSULCOZUWQA-GRYCIOLGSA-N 1 0 210.321 2.226 20 30 BEEDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000602602967 369827949 /nfs/dbraw/zinc/82/79/49/369827949.db2.gz GMGMTKNTQWJQCV-CYBMUJFWSA-N 1 0 245.326 2.260 20 30 BEEDRO CCC(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602639596 369832224 /nfs/dbraw/zinc/83/22/24/369832224.db2.gz VGFHOUGHZGNHPN-UHFFFAOYSA-N 1 0 217.316 2.479 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602430023 369786502 /nfs/dbraw/zinc/78/65/02/369786502.db2.gz UTNVVGWDLPOQIY-LLVKDONJSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cccc(C#N)n2)C1 ZINC000602428653 369787115 /nfs/dbraw/zinc/78/71/15/369787115.db2.gz IMWCWNVSSPYVMC-VXGBXAGGSA-N 1 0 229.327 2.431 20 30 BEEDRO CC[N@@H+](Cc1cccc(C#N)n1)CC1CC1 ZINC000602473526 369792883 /nfs/dbraw/zinc/79/28/83/369792883.db2.gz OAPQEIHODHGSHV-UHFFFAOYSA-N 1 0 215.300 2.185 20 30 BEEDRO CO[C@@H](C)C[N@H+](Cc1cccc(C#N)n1)C(C)C ZINC000602470810 369793234 /nfs/dbraw/zinc/79/32/34/369793234.db2.gz HZZKGEOIIWLUAP-LBPRGKRZSA-N 1 0 247.342 2.199 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@H]1C ZINC000602482021 369794113 /nfs/dbraw/zinc/79/41/13/369794113.db2.gz DOMSUCYYVMNKRF-MNOVXSKESA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1ccc(CC[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602705408 369844937 /nfs/dbraw/zinc/84/49/37/369844937.db2.gz LQEHJWIWFYINHK-OAHLLOKOSA-N 1 0 244.338 2.259 20 30 BEEDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(C#N)n2)O1 ZINC000602707890 369845789 /nfs/dbraw/zinc/84/57/89/369845789.db2.gz CBWHVAJZUKKSPX-FZMZJTMJSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@@H]([NH2+]Cc1cccc(C#N)n1)C1CC1 ZINC000602717727 369847456 /nfs/dbraw/zinc/84/74/56/369847456.db2.gz NOJZXEQHKQYUEQ-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO CC1(F)CC[NH+](Cc2ccnc(C#N)c2)CC1 ZINC000602993139 369868022 /nfs/dbraw/zinc/86/80/22/369868022.db2.gz RGTDSNYBEDWGSW-UHFFFAOYSA-N 1 0 233.290 2.277 20 30 BEEDRO CC1(C2([NH2+]Cc3cccc(C#N)n3)CC2)CC1 ZINC000602683890 369843023 /nfs/dbraw/zinc/84/30/23/369843023.db2.gz WZKDOQVTQCBZTR-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO C[NH+](C)[C@@H]1C[C@@H](Nc2cccc(C#N)n2)C1(C)C ZINC000603408014 369955810 /nfs/dbraw/zinc/95/58/10/369955810.db2.gz VTSVDRYVSANSBE-VXGBXAGGSA-N 1 0 244.342 2.094 20 30 BEEDRO CC[N@@H+]1CCN(Cc2cccc(C#N)c2)C[C@@H]1C ZINC000110718332 369966369 /nfs/dbraw/zinc/96/63/69/369966369.db2.gz YLQMBHXJADEMGU-ZDUSSCGKSA-N 1 0 243.354 2.084 20 30 BEEDRO CCN1CC[N@H+](CCCC(C)(C)C#N)C[C@H]1C ZINC000252664845 370108460 /nfs/dbraw/zinc/10/84/60/370108460.db2.gz QZHLGJBKHSYOKK-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccnc(C)c1 ZINC000621285567 370214424 /nfs/dbraw/zinc/21/44/24/370214424.db2.gz BZGIVZYIKWNYBV-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO CC[C@@]1([NH2+]Cc2cc(C#N)cs2)CCOC1 ZINC000309708286 370246185 /nfs/dbraw/zinc/24/61/85/370246185.db2.gz PPHJDUYSXGVZPR-GFCCVEGCSA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000309832210 370266288 /nfs/dbraw/zinc/26/62/88/370266288.db2.gz YVKFEOBSGSNGBP-GXFFZTMASA-N 1 0 215.300 2.231 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CNCC[C@H]1C ZINC000568248724 326334765 /nfs/dbraw/zinc/33/47/65/326334765.db2.gz YRSLAEGGJHWARO-OLZOCXBDSA-N 1 0 210.365 2.320 20 30 BEEDRO N#CCCCC[N@@H+](CCO)CCc1ccccc1 ZINC000112698745 370345787 /nfs/dbraw/zinc/34/57/87/370345787.db2.gz PFGDXKOUBUBVAE-UHFFFAOYSA-N 1 0 246.354 2.217 20 30 BEEDRO C=CCC(CC=C)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621685707 370435600 /nfs/dbraw/zinc/43/56/00/370435600.db2.gz JIRABOHLVQHDOQ-HIFRSBDPSA-N 1 0 248.370 2.095 20 30 BEEDRO CN(Cc1ccco1)C[C@@H](C#N)CCC#N ZINC000078316022 370549641 /nfs/dbraw/zinc/54/96/41/370549641.db2.gz HERXKLJRGQZAMR-LLVKDONJSA-N 1 0 217.272 2.155 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C(C)C)CC1 ZINC000114729427 370591155 /nfs/dbraw/zinc/59/11/55/370591155.db2.gz OSFAXFKOXLYPNM-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000069891008 370993811 /nfs/dbraw/zinc/99/38/11/370993811.db2.gz AFUGIKFOCWFKCO-GHMZBOCLSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@@H]1C[N@@H+](Cc2ccnc(C#N)c2)C[C@H](C)S1 ZINC000070383292 371026513 /nfs/dbraw/zinc/02/65/13/371026513.db2.gz BVDNEPXUJBOIMR-PHIMTYICSA-N 1 0 247.367 2.279 20 30 BEEDRO COc1ccc(CC[NH2+][C@H](C)CC#N)cc1 ZINC000037871168 371044392 /nfs/dbraw/zinc/04/43/92/371044392.db2.gz YBUISGPEKPTQOK-LLVKDONJSA-N 1 0 218.300 2.129 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@H]1CCCCO1 ZINC000379252561 371063864 /nfs/dbraw/zinc/06/38/64/371063864.db2.gz GNYRUONXSRCMKY-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@H]1COCCN1Cc1cc(C#N)cs1 ZINC000091981918 371071418 /nfs/dbraw/zinc/07/14/18/371071418.db2.gz WBNLBSUORUJKFK-NSHDSACASA-N 1 0 236.340 2.231 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccccc2C#N)CC[C@@H]1O ZINC000275418314 371100954 /nfs/dbraw/zinc/10/09/54/371100954.db2.gz HFULJICZFJFADT-AWEZNQCLSA-N 1 0 244.338 2.151 20 30 BEEDRO C[N@@H+](Cc1cc(C#N)cs1)C[C@@H]1CCOC1 ZINC000093840337 371187573 /nfs/dbraw/zinc/18/75/73/371187573.db2.gz CKLQKDJODNNALM-JTQLQIEISA-N 1 0 236.340 2.088 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1nc(C)cs1 ZINC000623959020 371197505 /nfs/dbraw/zinc/19/75/05/371197505.db2.gz DKINGIALPMOXOA-ZJUUUORDSA-N 1 0 226.345 2.039 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623996553 371229261 /nfs/dbraw/zinc/22/92/61/371229261.db2.gz KKONHYHPNVTOHO-WDEREUQCSA-N 1 0 240.372 2.429 20 30 BEEDRO CCO[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000155458485 371244634 /nfs/dbraw/zinc/24/46/34/371244634.db2.gz YUDOODAJPKXVJY-GFCCVEGCSA-N 1 0 234.299 2.152 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000624037342 371264799 /nfs/dbraw/zinc/26/47/99/371264799.db2.gz WNYWRKHVAVESCP-LBPRGKRZSA-N 1 0 221.348 2.464 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1COCCN1C ZINC000624173215 371364129 /nfs/dbraw/zinc/36/41/29/371364129.db2.gz BDBYCJJFNXCQEO-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO CC1(C)C[C@H]([NH2+]CCCCC#N)CCO1 ZINC000215739897 371623601 /nfs/dbraw/zinc/62/36/01/371623601.db2.gz QPRDICXYQHGRCM-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000216249338 371725496 /nfs/dbraw/zinc/72/54/96/371725496.db2.gz AQITYUJVGUYWFY-SMDDNHRTSA-N 1 0 230.311 2.076 20 30 BEEDRO CCC[C@H](CC)[NH2+]C1CCN(CC#N)CC1 ZINC000132748160 371912949 /nfs/dbraw/zinc/91/29/49/371912949.db2.gz LAKKEOQRCGZVKM-LBPRGKRZSA-N 1 0 223.364 2.143 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000228486828 372033727 /nfs/dbraw/zinc/03/37/27/372033727.db2.gz KNUYGVUPKLHKPM-MJBXVCDLSA-N 1 0 248.370 2.306 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000631197939 372230178 /nfs/dbraw/zinc/23/01/78/372230178.db2.gz CCZAEOJRULHAMB-XBXGTLAGSA-N 1 0 247.338 2.112 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@]23C[C@H]2CCCC3)nn1 ZINC000631225913 372248074 /nfs/dbraw/zinc/24/80/74/372248074.db2.gz KZPAHBOLYVCCMX-TZMCWYRMSA-N 1 0 246.358 2.277 20 30 BEEDRO C#CC[N@H+](C)CCC(=O)Nc1ccc(C)c(F)c1 ZINC001642967788 1172423119 /nfs/dbraw/zinc/42/31/19/1172423119.db2.gz WYGMGHQBFQLMSS-UHFFFAOYSA-N 1 0 248.301 2.028 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCc2ncccc21 ZINC000631604029 372453501 /nfs/dbraw/zinc/45/35/01/372453501.db2.gz YOQPOTQMFPLGSA-SWLSCSKDSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000631679966 372505425 /nfs/dbraw/zinc/50/54/25/372505425.db2.gz LZMNVEOSNZPFNS-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@@H]1CC[N@H+](C)[C@H]1CC ZINC000632849833 373188467 /nfs/dbraw/zinc/18/84/67/373188467.db2.gz QUKXXNLHXLYDBK-UPJWGTAASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000632879906 373205505 /nfs/dbraw/zinc/20/55/05/373205505.db2.gz ALHABMWEKYPIPE-NSHDSACASA-N 1 0 226.364 2.078 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC[C@@H]2CCOC2)C1 ZINC000449678539 205498461 /nfs/dbraw/zinc/49/84/61/205498461.db2.gz BHLZYTOMRBMQGF-MGPQQGTHSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC[C@H]2CCOC2)C1 ZINC000449678540 205499046 /nfs/dbraw/zinc/49/90/46/205499046.db2.gz BHLZYTOMRBMQGF-MJBXVCDLSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000172338353 205531671 /nfs/dbraw/zinc/53/16/71/205531671.db2.gz TVMBYGLIZZCFLL-JTQLQIEISA-N 1 0 240.310 2.094 20 30 BEEDRO C[C@@H]1CSCC[N@H+](CCCSCC#N)C1 ZINC000190422381 259565121 /nfs/dbraw/zinc/56/51/21/259565121.db2.gz XQCWFUQCKKBOOA-NSHDSACASA-N 1 0 244.429 2.318 20 30 BEEDRO CC[C@H]([NH2+]CCCSCC#N)[C@H]1CCCO1 ZINC000182247275 205673938 /nfs/dbraw/zinc/67/39/38/205673938.db2.gz MWWHRQABVXJSLC-NWDGAFQWSA-N 1 0 242.388 2.180 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C1CCCCC1 ZINC000186717013 205724597 /nfs/dbraw/zinc/72/45/97/205724597.db2.gz UHPSVYFSLVGFMQ-WCQYABFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000633965116 373863610 /nfs/dbraw/zinc/86/36/10/373863610.db2.gz YUDVSBNNQIWNSR-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634121493 373970440 /nfs/dbraw/zinc/97/04/40/373970440.db2.gz YACSUDKBOZFFHE-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192445528 205951489 /nfs/dbraw/zinc/95/14/89/205951489.db2.gz DJVJHJZKUXRBAD-UNXYVOJBSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000193425545 205985589 /nfs/dbraw/zinc/98/55/89/205985589.db2.gz KQPSVYGIHPMOTD-LLVKDONJSA-N 1 0 226.364 2.222 20 30 BEEDRO C=C(C)C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000174771168 206006653 /nfs/dbraw/zinc/00/66/53/206006653.db2.gz SGPOVKOWUNAVEM-CHWSQXEVSA-N 1 0 210.365 2.225 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000177902782 206006747 /nfs/dbraw/zinc/00/67/47/206006747.db2.gz NNNVVOXZKSPXJK-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@](C)(O)CCOC ZINC000178380521 206008639 /nfs/dbraw/zinc/00/86/39/206008639.db2.gz UHJDEVYQWLSHJQ-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000459777570 206015417 /nfs/dbraw/zinc/01/54/17/206015417.db2.gz WEBLGWGGODBJFX-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO CC[C@H]1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424200778 206034406 /nfs/dbraw/zinc/03/44/06/206034406.db2.gz RICIXILOKIHLGT-DGAVXFQQSA-N 1 0 236.359 2.473 20 30 BEEDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000424202124 206035201 /nfs/dbraw/zinc/03/52/01/206035201.db2.gz SIPNHNARQJYCJU-NWDGAFQWSA-N 1 0 245.326 2.262 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000424634893 206043146 /nfs/dbraw/zinc/04/31/46/206043146.db2.gz FGJGWPLMQVPYCW-NSHDSACASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(CC)c1 ZINC000426564782 206051754 /nfs/dbraw/zinc/05/17/54/206051754.db2.gz ILENLQSBFQCIIG-CYBMUJFWSA-N 1 0 219.332 2.444 20 30 BEEDRO C=CCCCC[NH2+][C@H](COC)C1CCOCC1 ZINC000437024263 206069008 /nfs/dbraw/zinc/06/90/08/206069008.db2.gz JTGFCDRCVXXSCJ-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(CC)C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000440476301 206078539 /nfs/dbraw/zinc/07/85/39/206078539.db2.gz HTFRSZKYPULYFA-HNNXBMFYSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000449425560 206097082 /nfs/dbraw/zinc/09/70/82/206097082.db2.gz HTHFVXNZWRJFEY-RVMXOQNASA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000451593384 206108860 /nfs/dbraw/zinc/10/88/60/206108860.db2.gz HQFGDBCMDFGFPH-KBPBESRZSA-N 1 0 243.391 2.068 20 30 BEEDRO CC(C)[C@H](CO)[C@@H]([NH2+]CCCC#N)C(C)C ZINC000451594319 206108622 /nfs/dbraw/zinc/10/86/22/206108622.db2.gz DMNFDRFMFRGVGF-STQMWFEESA-N 1 0 226.364 2.169 20 30 BEEDRO C=CCCC[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592704 206109351 /nfs/dbraw/zinc/10/93/51/206109351.db2.gz AHCJRHSEXNDXKJ-KBPBESRZSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C(CC)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000451592564 206109538 /nfs/dbraw/zinc/10/95/38/206109538.db2.gz CFOBPMQGYVEHDM-KBPBESRZSA-N 1 0 223.360 2.339 20 30 BEEDRO Cc1cc(C#N)cc(NC(=O)C[N@@H+](C)C(C)C)c1 ZINC000456975744 206118940 /nfs/dbraw/zinc/11/89/40/206118940.db2.gz ZKFFRBIUIMARNT-UHFFFAOYSA-N 1 0 245.326 2.145 20 30 BEEDRO CC[NH+]1C[C@@H](C)N(CCC(C)(C)C#N)[C@H](C)C1 ZINC000459465946 206129173 /nfs/dbraw/zinc/12/91/73/206129173.db2.gz QOVZKNLNXDJGHX-CHWSQXEVSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)C1CCOCC1 ZINC000167267930 206145671 /nfs/dbraw/zinc/14/56/71/206145671.db2.gz SJAIEHAAKVAMMX-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C#N)[C@H]1SC ZINC000459492923 206130821 /nfs/dbraw/zinc/13/08/21/206130821.db2.gz XJEJCGCMTVLPSA-HBNTYKKESA-N 1 0 242.388 2.035 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCSCC#N)CCS1 ZINC000192170518 259583808 /nfs/dbraw/zinc/58/38/08/259583808.db2.gz FIIHKNJMXXIMSU-LLVKDONJSA-N 1 0 244.429 2.461 20 30 BEEDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(C#N)nc1 ZINC000357774904 169129788 /nfs/dbraw/zinc/12/97/88/169129788.db2.gz MYBQMZQHALOUBB-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[NH+]1CCC(N2CCC[C@@H](C#N)C2)CC1 ZINC000020541374 169186684 /nfs/dbraw/zinc/18/66/84/169186684.db2.gz VOKULGUKANHPOT-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CCCN1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000353971453 169196407 /nfs/dbraw/zinc/19/64/07/169196407.db2.gz JZYKYHKBNFSZBN-BFHYXJOUSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000180253312 134328384 /nfs/dbraw/zinc/32/83/84/134328384.db2.gz NVZPWCHVXITDSU-UHFFFAOYSA-N 1 0 249.383 2.115 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cnc2ccccn12 ZINC000181265248 134334466 /nfs/dbraw/zinc/33/44/66/134334466.db2.gz QAHMLJTXKATEGB-UHFFFAOYSA-N 1 0 215.300 2.342 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NC1CCCCC1 ZINC000181243400 134334530 /nfs/dbraw/zinc/33/45/30/134334530.db2.gz RRDSAVLQWIZUQV-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCSCC[NH2+]C1CC(OCC)C1 ZINC000224421346 134347429 /nfs/dbraw/zinc/34/74/29/134347429.db2.gz XAHSIGZQZORZMR-UHFFFAOYSA-N 1 0 215.362 2.063 20 30 BEEDRO CC#CC[N@H+](CCO)[C@H](C)c1ccccc1 ZINC001644977065 1172624035 /nfs/dbraw/zinc/62/40/35/1172624035.db2.gz HIZYPHWYUWPGOR-CYBMUJFWSA-N 1 0 217.312 2.065 20 30 BEEDRO C#CCCNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000267461593 532999824 /nfs/dbraw/zinc/99/98/24/532999824.db2.gz VLQIMAURWWSMQV-UHFFFAOYSA-N 1 0 215.300 2.053 20 30 BEEDRO C=CCC(F)(F)c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647144615 383842995 /nfs/dbraw/zinc/84/29/95/383842995.db2.gz BNQHKOYGAIGXAM-ZETCQYMHSA-N 1 0 229.230 2.162 20 30 BEEDRO C=C[C@](C)(CC)c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647146222 383852824 /nfs/dbraw/zinc/85/28/24/383852824.db2.gz PTOKHCCUSLAQNA-BXKDBHETSA-N 1 0 221.304 2.348 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C)[C@@H]1CC ZINC000185598935 134382445 /nfs/dbraw/zinc/38/24/45/134382445.db2.gz CLJVWXDWHYEZCM-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccncc1C ZINC000560120039 383912788 /nfs/dbraw/zinc/91/27/88/383912788.db2.gz BNKYJYRRHKWMPF-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO CC(C)(O)C(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000393596867 383923268 /nfs/dbraw/zinc/92/32/68/383923268.db2.gz JMGUMQQIZMWAGJ-UHFFFAOYSA-N 1 0 246.354 2.445 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCOC1 ZINC000336164859 383940259 /nfs/dbraw/zinc/94/02/59/383940259.db2.gz RPCOJVJCVIMCKS-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCSC2)cc1F ZINC000334738799 383945752 /nfs/dbraw/zinc/94/57/52/383945752.db2.gz QOBNCCPKMFSSCJ-NSHDSACASA-N 1 0 236.315 2.292 20 30 BEEDRO CC[C@H]([NH2+]CCCC#N)c1nccs1 ZINC000070634263 383948503 /nfs/dbraw/zinc/94/85/03/383948503.db2.gz NTOVSDKKJPSKCB-VIFPVBQESA-N 1 0 209.318 2.488 20 30 BEEDRO Cc1cc(C[N@@H+]2CCC[C@@](C)(O)C2)ccc1C#N ZINC000334765326 383949949 /nfs/dbraw/zinc/94/99/49/383949949.db2.gz QZKVPBYEPQQKKB-OAHLLOKOSA-N 1 0 244.338 2.214 20 30 BEEDRO CC(F)(F)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000449353786 383954867 /nfs/dbraw/zinc/95/48/67/383954867.db2.gz GOSPZEJGSNGUMW-RKDXNWHRSA-N 1 0 202.248 2.314 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+](C)C[C@H](C)OC ZINC000285544335 383957146 /nfs/dbraw/zinc/95/71/46/383957146.db2.gz GBKPQWZEHAOYIR-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CS1 ZINC000334851986 383968636 /nfs/dbraw/zinc/96/86/36/383968636.db2.gz DPARKEPAUYHKAX-DTWKUNHWSA-N 1 0 222.313 2.135 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000234795331 384026161 /nfs/dbraw/zinc/02/61/61/384026161.db2.gz SIPGGQUKGNRWRN-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)cc(F)c1 ZINC000229879885 259643476 /nfs/dbraw/zinc/64/34/76/259643476.db2.gz FTIPYYYIPKVTLZ-LBPRGKRZSA-N 1 0 209.239 2.466 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000560265032 384029045 /nfs/dbraw/zinc/02/90/45/384029045.db2.gz BKRISPYRJGJGBU-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C[C@@H](CO)[N@@H+](Cc1ccc(C#N)o1)CC1CCC1 ZINC000289379168 384084086 /nfs/dbraw/zinc/08/40/86/384084086.db2.gz MIHKMOIXNBGTLB-NSHDSACASA-N 1 0 248.326 2.134 20 30 BEEDRO CCC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000449379433 384087635 /nfs/dbraw/zinc/08/76/35/384087635.db2.gz TVCWVBFYAKDLEQ-QJPTWQEYSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)cc1)C(C)(C)O ZINC000289321457 384075678 /nfs/dbraw/zinc/07/56/78/384075678.db2.gz KBKBSGGNXVXFDD-NSHDSACASA-N 1 0 232.327 2.149 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]CCCCC#N)CCO1 ZINC000309313126 134390628 /nfs/dbraw/zinc/39/06/28/134390628.db2.gz CJKRIOZMSJCLFS-OLZOCXBDSA-N 1 0 224.348 2.473 20 30 BEEDRO C#CC[N@@H+](C)CCCc1ccc(OC)cc1 ZINC000299101544 384116970 /nfs/dbraw/zinc/11/69/70/384116970.db2.gz WKJLGNDYERILLP-UHFFFAOYSA-N 1 0 217.312 2.193 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1occc1C ZINC000449517342 384150464 /nfs/dbraw/zinc/15/04/64/384150464.db2.gz FLJQQHDZRQFFTO-MNOVXSKESA-N 1 0 207.273 2.021 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000186981471 384172823 /nfs/dbraw/zinc/17/28/23/384172823.db2.gz FARJMADUCKMCQU-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC000135209273 384173792 /nfs/dbraw/zinc/17/37/92/384173792.db2.gz ZBAXWPRYRMJNSB-SMDDNHRTSA-N 1 0 230.311 2.073 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000368455909 533041121 /nfs/dbraw/zinc/04/11/21/533041121.db2.gz VHVQISNRLOULAE-KGLIPLIRSA-N 1 0 245.370 2.449 20 30 BEEDRO CC[NH+](CC)CCCNc1cnccc1C#N ZINC000135589150 384185751 /nfs/dbraw/zinc/18/57/51/384185751.db2.gz JEHHHBQBMBGBQX-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO CC(C)[NH+](CCNc1cnccc1C#N)C(C)C ZINC000135586812 384185918 /nfs/dbraw/zinc/18/59/18/384185918.db2.gz POMCLMYUQHXOKP-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000253095677 533047610 /nfs/dbraw/zinc/04/76/10/533047610.db2.gz PLJZPRLGLHRNKW-KFWWJZLASA-N 1 0 235.371 2.415 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000369426475 533049907 /nfs/dbraw/zinc/04/99/07/533049907.db2.gz MNTWGCFLFBRAPJ-KGLIPLIRSA-N 1 0 221.344 2.148 20 30 BEEDRO N#Cc1cc(NCCC[NH+]2CCCCC2)ccn1 ZINC000286159352 384248680 /nfs/dbraw/zinc/24/86/80/384248680.db2.gz OQUCDWPSFIEYIU-UHFFFAOYSA-N 1 0 244.342 2.241 20 30 BEEDRO CC(C)(CO)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309420314 384259930 /nfs/dbraw/zinc/25/99/30/384259930.db2.gz ZNCCSFYOYMMFBW-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[N@H+](Cc1ccc(C#N)cn1)C1CC1 ZINC000566017828 384261087 /nfs/dbraw/zinc/26/10/87/384261087.db2.gz MFORZFIOXMBNJU-UHFFFAOYSA-N 1 0 215.300 2.328 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000414517214 384262385 /nfs/dbraw/zinc/26/23/85/384262385.db2.gz QDVPMYJJFXGAPP-JMSVASOKSA-N 1 0 244.338 2.461 20 30 BEEDRO CO[C@@H](C)CC[NH2+]Cc1cc(C#N)cs1 ZINC000336767534 384271390 /nfs/dbraw/zinc/27/13/90/384271390.db2.gz SQYHUCABPNGIEH-VIFPVBQESA-N 1 0 224.329 2.134 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1F ZINC000335301265 384273111 /nfs/dbraw/zinc/27/31/11/384273111.db2.gz MGZOCUUQLPXDNG-ZDUSSCGKSA-N 1 0 248.301 2.044 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(OC)n1 ZINC000308806490 384308141 /nfs/dbraw/zinc/30/81/41/384308141.db2.gz ORGHDULICHCEFY-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](O)C(C)C ZINC000414526169 384290903 /nfs/dbraw/zinc/29/09/03/384290903.db2.gz KRLGOGZHFWGPBO-GJZGRUSLSA-N 1 0 246.354 2.443 20 30 BEEDRO C[C@H](CCCO)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449409431 384294524 /nfs/dbraw/zinc/29/45/24/384294524.db2.gz SZXHIYHIABLKAV-UPJWGTAASA-N 1 0 224.348 2.067 20 30 BEEDRO C#CCC[NH+]1CCN(c2ccc(C)cc2)CC1 ZINC000273437933 533055521 /nfs/dbraw/zinc/05/55/21/533055521.db2.gz BKWCYQGKEAQYTR-UHFFFAOYSA-N 1 0 228.339 2.140 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H](O)c1ccc(F)cc1C ZINC000490741527 384374458 /nfs/dbraw/zinc/37/44/58/384374458.db2.gz SGPMVMPSSAEYIJ-AWEZNQCLSA-N 1 0 235.302 2.123 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)c1nccnc1C ZINC000188174168 384365595 /nfs/dbraw/zinc/36/55/95/384365595.db2.gz LRHUALUNPOPAQZ-LLVKDONJSA-N 1 0 237.372 2.355 20 30 BEEDRO C[C@@H](O)CC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000174465552 384332182 /nfs/dbraw/zinc/33/21/82/384332182.db2.gz AYXIOLBQKQDXOE-GFCCVEGCSA-N 1 0 246.354 2.445 20 30 BEEDRO N#CCOc1ccc(C[NH+]2CCCC2)cc1 ZINC000077012543 384391936 /nfs/dbraw/zinc/39/19/36/384391936.db2.gz UMHQQKYZIVHYNO-UHFFFAOYSA-N 1 0 216.284 2.185 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000490803153 384403794 /nfs/dbraw/zinc/40/37/94/384403794.db2.gz KBTPSMZCBAARPP-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C[C@@H](C(=O)N=C1NCCS1)c1cccs1 ZINC000078024697 384426360 /nfs/dbraw/zinc/42/63/60/384426360.db2.gz ISPFYZRLJCBMFS-SSDOTTSWSA-N 1 0 240.353 2.071 20 30 BEEDRO C#CC[N@H+](CCC1OCCCO1)C1CCCC1 ZINC000490803734 384405223 /nfs/dbraw/zinc/40/52/23/384405223.db2.gz PSZZXKPZZFQCET-UHFFFAOYSA-N 1 0 237.343 2.017 20 30 BEEDRO CCOC[C@H]1CCCC[N@@H+]1CCCC#N ZINC000313475708 384415394 /nfs/dbraw/zinc/41/53/94/384415394.db2.gz FMXMSISYNQNNGX-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)CCS1 ZINC000572896559 384415938 /nfs/dbraw/zinc/41/59/38/384415938.db2.gz WFPWJFOQNNHZTF-LLVKDONJSA-N 1 0 247.367 2.281 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000313493766 384421220 /nfs/dbraw/zinc/42/12/20/384421220.db2.gz GTXKJVZHKUHHLN-MNOVXSKESA-N 1 0 205.305 2.445 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000313495660 384425050 /nfs/dbraw/zinc/42/50/50/384425050.db2.gz XSEXLPFQDUCATM-NEPJUHHUSA-N 1 0 208.349 2.167 20 30 BEEDRO Cc1cc(C[N@@H+](CCO)C(C)C)ccc1C#N ZINC000362964155 384380328 /nfs/dbraw/zinc/38/03/28/384380328.db2.gz RYAMULNMMBRKFT-UHFFFAOYSA-N 1 0 232.327 2.069 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc(C#N)c1 ZINC000135315072 384433788 /nfs/dbraw/zinc/43/37/88/384433788.db2.gz FELPDLDJFUFZPP-WDMOLILDSA-N 1 0 230.311 2.386 20 30 BEEDRO Cc1cnccc1CC[NH+]1CCC(C#N)CC1 ZINC000335663427 384471621 /nfs/dbraw/zinc/47/16/21/384471621.db2.gz OYFBWXNJAZMYNZ-UHFFFAOYSA-N 1 0 229.327 2.168 20 30 BEEDRO C#CC[N@@H+](CCCn1ccnc1C)C1CCCC1 ZINC000490893069 384472583 /nfs/dbraw/zinc/47/25/83/384472583.db2.gz RKROPNDGNIBKBX-UHFFFAOYSA-N 1 0 245.370 2.459 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@]1(C)CCCO1 ZINC000309548322 384485941 /nfs/dbraw/zinc/48/59/41/384485941.db2.gz HJRNLTDXPIHBGG-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C[C@@H]([NH2+]CC1(CCO)CC1)c1cccc(C#N)c1 ZINC000157453699 384479397 /nfs/dbraw/zinc/47/93/97/384479397.db2.gz LBFPQHZASWECGZ-GFCCVEGCSA-N 1 0 244.338 2.371 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](CO)c1ccccc1OC ZINC000556811214 384496657 /nfs/dbraw/zinc/49/66/57/384496657.db2.gz DEQITCUVNDMVLK-ZDUSSCGKSA-N 1 0 235.327 2.284 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccco1 ZINC000449547837 384505195 /nfs/dbraw/zinc/50/51/95/384505195.db2.gz KBFVDLDAVSHTDJ-NEPJUHHUSA-N 1 0 207.273 2.103 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1CC ZINC000249402461 384505526 /nfs/dbraw/zinc/50/55/26/384505526.db2.gz CLJVWXDWHYEZCM-FRRDWIJNSA-N 1 0 211.349 2.434 20 30 BEEDRO CC[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000037509591 384506425 /nfs/dbraw/zinc/50/64/25/384506425.db2.gz BBHXKRJYBMMRGJ-JTQLQIEISA-N 1 0 204.273 2.259 20 30 BEEDRO C[C@H]1CC[C@H](C[NH+]2CCC(CC#N)CC2)O1 ZINC000335697771 384487932 /nfs/dbraw/zinc/48/79/32/384487932.db2.gz NROGHZMOPTVOBU-WCQYABFASA-N 1 0 222.332 2.180 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000449238611 384488672 /nfs/dbraw/zinc/48/86/72/384488672.db2.gz GZERVBPOSSUNRS-IYXRBSQSSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](C)C[S@](C)=O ZINC000449240954 384494398 /nfs/dbraw/zinc/49/43/98/384494398.db2.gz QCHZUHDVUPHUIA-ZOWXZIJZSA-N 1 0 231.405 2.478 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@H](C)C(=O)NCC=C ZINC000150886667 384518517 /nfs/dbraw/zinc/51/85/17/384518517.db2.gz WNZVIMITWVYNCF-CYBMUJFWSA-N 1 0 238.375 2.355 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)C1CCOCC1 ZINC000179095759 384520799 /nfs/dbraw/zinc/52/07/99/384520799.db2.gz GJJOGVSTDONDJY-GFCCVEGCSA-N 1 0 244.338 2.463 20 30 BEEDRO C[NH2+]C[C@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000423280323 384532177 /nfs/dbraw/zinc/53/21/77/384532177.db2.gz UMLYMJOYIMLKSD-WDEREUQCSA-N 1 0 249.333 2.203 20 30 BEEDRO C[NH2+]C[C@@H](C)CN[C@H](C)c1ccc(C#N)cc1F ZINC000423280320 384532512 /nfs/dbraw/zinc/53/25/12/384532512.db2.gz UMLYMJOYIMLKSD-GHMZBOCLSA-N 1 0 249.333 2.203 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)[C@H](C)O1 ZINC000449446709 384545425 /nfs/dbraw/zinc/54/54/25/384545425.db2.gz UCQBXRVPVCXPCW-MOLYVOAJSA-N 1 0 222.332 2.224 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccccc1F)C(C)C ZINC000309985170 384545642 /nfs/dbraw/zinc/54/56/42/384545642.db2.gz ITPNDCBAWUKATK-KGLIPLIRSA-N 1 0 235.302 2.107 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000309190431 384546098 /nfs/dbraw/zinc/54/60/98/384546098.db2.gz IIIFFWVNABOSIV-KXUCPTDWSA-N 1 0 235.249 2.098 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@H]1CCc2ccc(C#N)cc21 ZINC000423386435 384548697 /nfs/dbraw/zinc/54/86/97/384548697.db2.gz LFIGLQNXOPWBIJ-ABAIWWIYSA-N 1 0 243.354 2.133 20 30 BEEDRO CCn1nccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000449446824 384559996 /nfs/dbraw/zinc/55/99/96/384559996.db2.gz ULONLKWHGDTYEG-RYUDHWBXSA-N 1 0 232.331 2.075 20 30 BEEDRO C[C@H](NC[C@H]([NH3+])C1CC1)c1ccc(C#N)c(F)c1 ZINC000423315556 384538458 /nfs/dbraw/zinc/53/84/58/384538458.db2.gz IZBYOWGJLASTBK-XPTSAGLGSA-N 1 0 247.317 2.085 20 30 BEEDRO C/C=C\C[C@@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449252781 384570734 /nfs/dbraw/zinc/57/07/34/384570734.db2.gz WKHQLOCSBYIMDX-DULPCCNYSA-N 1 0 236.359 2.376 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000309745063 384577849 /nfs/dbraw/zinc/57/78/49/384577849.db2.gz FIVUQQZOHRXRIK-MBNYWOFBSA-N 1 0 222.376 2.271 20 30 BEEDRO C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCCC#N ZINC000309755190 384581299 /nfs/dbraw/zinc/58/12/99/384581299.db2.gz LHVUDHYSMCLNRS-SNVBAGLBSA-N 1 0 226.320 2.000 20 30 BEEDRO C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000361435185 384564569 /nfs/dbraw/zinc/56/45/69/384564569.db2.gz KDWYJZNYSYVDBK-CXTNEJHOSA-N 1 0 247.386 2.141 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+]CCCOC)cc1 ZINC000151656078 384616730 /nfs/dbraw/zinc/61/67/30/384616730.db2.gz FGFLCURRRQXLMV-CYBMUJFWSA-N 1 0 247.338 2.386 20 30 BEEDRO C#CCNC(=O)CC[N@@H+](CCCCC)C(C)C ZINC000491383153 384625648 /nfs/dbraw/zinc/62/56/48/384625648.db2.gz KWSYVMLCZANEHI-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CCOc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000162250831 384593469 /nfs/dbraw/zinc/59/34/69/384593469.db2.gz OUQBMJNDUINDQN-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCN(C)c1ccccc1 ZINC000517957440 384601386 /nfs/dbraw/zinc/60/13/86/384601386.db2.gz PVFQMMBUELKCLY-CYBMUJFWSA-N 1 0 231.343 2.405 20 30 BEEDRO CCOC[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000044724234 384663160 /nfs/dbraw/zinc/66/31/60/384663160.db2.gz MURBUOVYHKCLCS-JTQLQIEISA-N 1 0 236.290 2.212 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1(SC)CC1 ZINC000309842363 384664633 /nfs/dbraw/zinc/66/46/33/384664633.db2.gz DYPWTPFPTIGBAX-RYUDHWBXSA-N 1 0 241.400 2.453 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCSC2)C1 ZINC000306359387 384672023 /nfs/dbraw/zinc/67/20/23/384672023.db2.gz CCHHPCCYTUNUFR-DCAQKATOSA-N 1 0 210.346 2.164 20 30 BEEDRO Cc1cc(C[N@@H+](C)C2CCOCC2)ccc1C#N ZINC000565398146 384639916 /nfs/dbraw/zinc/63/99/16/384639916.db2.gz KPKZZLYRPOGAPY-UHFFFAOYSA-N 1 0 244.338 2.478 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000162561977 384647153 /nfs/dbraw/zinc/64/71/53/384647153.db2.gz ICUAGAZVKFIZJG-CQSZACIVSA-N 1 0 242.366 2.262 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CO)c1ccc(F)cc1 ZINC000309643589 384680236 /nfs/dbraw/zinc/68/02/36/384680236.db2.gz VGSYWVUAHFFPTA-ZDUSSCGKSA-N 1 0 223.291 2.415 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCC(F)(F)C1 ZINC000491408945 384746044 /nfs/dbraw/zinc/74/60/44/384746044.db2.gz XWFQFCWQFWUODM-NXEZZACHSA-N 1 0 201.260 2.375 20 30 BEEDRO COCC1(C[N@H+](C)[C@@H](C)CC#N)CCC1 ZINC000336665126 384753516 /nfs/dbraw/zinc/75/35/16/384753516.db2.gz DBSJXUUEDIRQPL-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO COCC[C@H]([NH2+]CC1(C#N)CC1)C(C)(C)C ZINC000309981793 384757850 /nfs/dbraw/zinc/75/78/50/384757850.db2.gz WJZUSJIUTYIIAR-NSHDSACASA-N 1 0 224.348 2.331 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)C(C)C ZINC000491417246 384769835 /nfs/dbraw/zinc/76/98/35/384769835.db2.gz MYENVWPVTIVGLQ-CAEXGNQWSA-N 1 0 235.371 2.437 20 30 BEEDRO CC[C@@H](CNCc1ccc(C#N)o1)[NH+]1CCCC1 ZINC000174264092 384771992 /nfs/dbraw/zinc/77/19/92/384771992.db2.gz PXVVKLFRFMUZTB-LBPRGKRZSA-N 1 0 247.342 2.115 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000517757613 384825326 /nfs/dbraw/zinc/82/53/26/384825326.db2.gz UVKLOUIFNDEDCF-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO CCC[C@H](CCO)C[NH2+]Cc1cccc(C#N)c1 ZINC000080524783 384830271 /nfs/dbraw/zinc/83/02/71/384830271.db2.gz NYLRMUKEHLDHDF-CYBMUJFWSA-N 1 0 246.354 2.447 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cn2cccnc2n1 ZINC000297496261 384831272 /nfs/dbraw/zinc/83/12/72/384831272.db2.gz UOCSSZGWNRILPN-UHFFFAOYSA-N 1 0 244.342 2.421 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCn1cccn1 ZINC000126746217 384800441 /nfs/dbraw/zinc/80/04/41/384800441.db2.gz XFEAKCPHCITNHL-GFCCVEGCSA-N 1 0 207.321 2.218 20 30 BEEDRO CCc1cccc(NC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000104174154 384807288 /nfs/dbraw/zinc/80/72/88/384807288.db2.gz RQRRIQRRVOFIOW-SKDRFNHKSA-N 1 0 217.316 2.384 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000104174106 384807734 /nfs/dbraw/zinc/80/77/34/384807734.db2.gz FOHAWJZLWDRBTM-ZYHUDNBSSA-N 1 0 217.316 2.438 20 30 BEEDRO CCCC(N)=NOCC(=O)Nc1ccccc1C ZINC000105605243 384875812 /nfs/dbraw/zinc/87/58/12/384875812.db2.gz RZKQJORWDHYNIJ-UHFFFAOYSA-N 1 0 249.314 2.022 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234679349 384846023 /nfs/dbraw/zinc/84/60/23/384846023.db2.gz WFRALNHWHIITRZ-NSHDSACASA-N 1 0 248.326 2.081 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(C)(C)C)C1=O ZINC000518273807 384889393 /nfs/dbraw/zinc/88/93/93/384889393.db2.gz JQICCBKOLUECLL-VXGBXAGGSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000193333621 384952490 /nfs/dbraw/zinc/95/24/90/384952490.db2.gz MTCSRQUMCMSZPE-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000518275483 384893722 /nfs/dbraw/zinc/89/37/22/384893722.db2.gz JZHUSMLOUCIFRN-UHFFFAOYSA-N 1 0 228.299 2.346 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000449470888 384896395 /nfs/dbraw/zinc/89/63/95/384896395.db2.gz BMVREESQJDQUOD-JHJVBQTASA-N 1 0 221.344 2.500 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000448199491 384901558 /nfs/dbraw/zinc/90/15/58/384901558.db2.gz BPKVQGFQDRYWJF-GXTWGEPZSA-N 1 0 236.359 2.095 20 30 BEEDRO N#CCC[C@@H](C#N)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000095410975 384902070 /nfs/dbraw/zinc/90/20/70/384902070.db2.gz BFIPNKRSFRHIPX-RWMBFGLXSA-N 1 0 217.316 2.162 20 30 BEEDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(C#N)o1 ZINC000135485730 384902785 /nfs/dbraw/zinc/90/27/85/384902785.db2.gz MSKPFZCJRBXPOI-SECBINFHSA-N 1 0 204.273 2.429 20 30 BEEDRO C=CC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000365892859 384917012 /nfs/dbraw/zinc/91/70/12/384917012.db2.gz HDSYUAMKHQFTOA-LBPRGKRZSA-N 1 0 203.285 2.156 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)CC1 ZINC000320316369 384925749 /nfs/dbraw/zinc/92/57/49/384925749.db2.gz WJIODDPGRYFTGS-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccccc1OC ZINC000491463294 384927733 /nfs/dbraw/zinc/92/77/33/384927733.db2.gz MIFZWVPTEPTIHD-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO COCC[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309942961 384934797 /nfs/dbraw/zinc/93/47/97/384934797.db2.gz CHORGMHQXDPQJL-PNESKVBLSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H](C)O1 ZINC000449303422 384975033 /nfs/dbraw/zinc/97/50/33/384975033.db2.gz MCVJDSNBDBOENO-AYZDXNEBSA-N 1 0 236.359 2.472 20 30 BEEDRO N#CCC[C@H](C#N)C[N@@H+]1CCC2(CCC2)C1 ZINC000156806847 384975498 /nfs/dbraw/zinc/97/54/98/384975498.db2.gz XPXGBMSGGQTZQV-GFCCVEGCSA-N 1 0 217.316 2.306 20 30 BEEDRO CC#CCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000156824474 384986530 /nfs/dbraw/zinc/98/65/30/384986530.db2.gz ZONJCHOUGCKEIL-ZDUSSCGKSA-N 1 0 231.343 2.143 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(C#N)s1 ZINC000135501490 384988022 /nfs/dbraw/zinc/98/80/22/384988022.db2.gz FDCRPVXGYCCARS-SECBINFHSA-N 1 0 224.329 2.134 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(C)cc1OC ZINC000449702312 384993678 /nfs/dbraw/zinc/99/36/78/384993678.db2.gz YMBQUWQRQNILFC-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCN(C)C1=O ZINC000360249347 384998503 /nfs/dbraw/zinc/99/85/03/384998503.db2.gz CPZYHOIMUXQAIY-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CC(F)(F)C2)C1 ZINC000306496232 385000650 /nfs/dbraw/zinc/00/06/50/385000650.db2.gz DEKZIEPLMBLMDQ-SFYZADRCSA-N 1 0 200.232 2.066 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N(C)CCCC[NH+](C)C ZINC000644644040 385050428 /nfs/dbraw/zinc/05/04/28/385050428.db2.gz VWNYOAGQZPIPBH-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO CSCCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308763509 385082581 /nfs/dbraw/zinc/08/25/81/385082581.db2.gz ZGOBOMRYVGWYKE-WDEREUQCSA-N 1 0 212.362 2.411 20 30 BEEDRO COCC1(CC[NH2+]C[C@@H](C#N)CCC#N)CCC1 ZINC000569352519 385023998 /nfs/dbraw/zinc/02/39/98/385023998.db2.gz SQWPHPPPMAXNGR-CYBMUJFWSA-N 1 0 249.358 2.226 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cc(-c2ccco2)on1 ZINC000128527505 385045445 /nfs/dbraw/zinc/04/54/45/385045445.db2.gz ANVBFFRICQCWGM-UHFFFAOYSA-N 1 0 249.270 2.379 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc2cccnc2o1 ZINC000491535285 385110564 /nfs/dbraw/zinc/11/05/64/385110564.db2.gz BFJOYJUZQGBZDP-UHFFFAOYSA-N 1 0 214.268 2.283 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000341455336 385110687 /nfs/dbraw/zinc/11/06/87/385110687.db2.gz ICFWMIDZWNQOEQ-CYBMUJFWSA-N 1 0 232.327 2.230 20 30 BEEDRO COc1cc(C[N@@H+](C)C[C@H](C)OC)ccc1C#N ZINC000289738003 385122317 /nfs/dbraw/zinc/12/23/17/385122317.db2.gz QAVBUWATADKOLW-NSHDSACASA-N 1 0 248.326 2.034 20 30 BEEDRO CO[C@H](C)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449333613 533104193 /nfs/dbraw/zinc/10/41/93/533104193.db2.gz HJAHGXHLFUMDES-OKZRHMCRSA-N 1 0 224.348 2.472 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336236037 385088551 /nfs/dbraw/zinc/08/85/51/385088551.db2.gz JRWQCNKWDWKWGM-LBPRGKRZSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000336236117 385089015 /nfs/dbraw/zinc/08/90/15/385089015.db2.gz QNSRGPUTQRLWCF-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1O ZINC000341004176 385101704 /nfs/dbraw/zinc/10/17/04/385101704.db2.gz AGTRADXGGDHHCA-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000336254963 385102989 /nfs/dbraw/zinc/10/29/89/385102989.db2.gz KKQFLRUWMZTMSA-WFASDCNBSA-N 1 0 244.338 2.098 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000308834866 385201521 /nfs/dbraw/zinc/20/15/21/385201521.db2.gz HRRWEAYHFQUFBH-RKDXNWHRSA-N 1 0 225.254 2.244 20 30 BEEDRO Cn1cc(C[NH2+]CCc2cccs2)cc1C#N ZINC000189576111 385193591 /nfs/dbraw/zinc/19/35/91/385193591.db2.gz WNXCAAUQROLNMR-UHFFFAOYSA-N 1 0 245.351 2.291 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1C ZINC000189267249 385142892 /nfs/dbraw/zinc/14/28/92/385142892.db2.gz TZYSBNSXIPBMAX-DOMZBBRYSA-N 1 0 244.338 2.415 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000451633083 385149940 /nfs/dbraw/zinc/14/99/40/385149940.db2.gz NNSQUASQLBKWDV-ZIAGYGMSSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000111259997 385154641 /nfs/dbraw/zinc/15/46/41/385154641.db2.gz VMSYWCXHFUWWPZ-UHFFFAOYSA-N 1 0 233.359 2.251 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C#N)cc1F ZINC000227597945 385164616 /nfs/dbraw/zinc/16/46/16/385164616.db2.gz JQSOBAQPETXFHI-UHFFFAOYSA-N 1 0 248.326 2.153 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CCC#N)C1CCOCC1 ZINC000308832808 385201179 /nfs/dbraw/zinc/20/11/79/385201179.db2.gz GWHUHEGBEIROFX-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+]1Cc2ccccc2O[C@@H](C)C1 ZINC000644784659 385175771 /nfs/dbraw/zinc/17/57/71/385175771.db2.gz DQSBWGIKKDTCTG-GXTWGEPZSA-N 1 0 247.338 2.207 20 30 BEEDRO CC#CC[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000308844811 385206573 /nfs/dbraw/zinc/20/65/73/385206573.db2.gz LSYOCCRNENFCOB-CYBMUJFWSA-N 1 0 200.285 2.146 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@](C)(O)C1CC1 ZINC000308844956 385207314 /nfs/dbraw/zinc/20/73/14/385207314.db2.gz LVDQXCJDDMYJST-GVXVVHGQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@](C)(O)C1CC1 ZINC000308844949 385207857 /nfs/dbraw/zinc/20/78/57/385207857.db2.gz LVDQXCJDDMYJST-DMDPSCGWSA-N 1 0 211.349 2.338 20 30 BEEDRO Cn1cc(C[NH2+]CC(C)(C)C)cc1C#N ZINC000189589734 385214101 /nfs/dbraw/zinc/21/41/01/385214101.db2.gz QMEMVWGGXIKDPN-UHFFFAOYSA-N 1 0 205.305 2.032 20 30 BEEDRO Cn1cc(C[NH2+]C[C@]2(C)CCCS2)cc1C#N ZINC000189596680 385218234 /nfs/dbraw/zinc/21/82/34/385218234.db2.gz VFLJKJUCNDOXDO-ZDUSSCGKSA-N 1 0 249.383 2.272 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@](C)(O)CCOC ZINC000178380533 385243333 /nfs/dbraw/zinc/24/33/33/385243333.db2.gz UHJDEVYQWLSHJQ-CHWSQXEVSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@](C)(O)CCOC ZINC000178380549 385244412 /nfs/dbraw/zinc/24/44/12/385244412.db2.gz UHJDEVYQWLSHJQ-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO CC#CCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000357595877 385252458 /nfs/dbraw/zinc/25/24/58/385252458.db2.gz NIYYHYUHKVNPMD-QLFBSQMISA-N 1 0 234.387 2.347 20 30 BEEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000280436185 385205058 /nfs/dbraw/zinc/20/50/58/385205058.db2.gz JYKWQIHKOZSQMY-RYUDHWBXSA-N 1 0 248.326 2.277 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000177791331 533112986 /nfs/dbraw/zinc/11/29/86/533112986.db2.gz TWQUIKXIHRNRMN-HNNXBMFYSA-N 1 0 228.339 2.220 20 30 BEEDRO C[C@H]([NH2+]CCC1(CO)CC1)c1ccc(C#N)cc1 ZINC000395943123 385276580 /nfs/dbraw/zinc/27/65/80/385276580.db2.gz PRTQZEMGLQRWEK-LBPRGKRZSA-N 1 0 244.338 2.371 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000308988052 385333756 /nfs/dbraw/zinc/33/37/56/385333756.db2.gz KGZZWPULXVSUQQ-SRVKXCTJSA-N 1 0 211.349 2.195 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCC(=O)OC(C)(C)C ZINC000491325949 385350304 /nfs/dbraw/zinc/35/03/04/385350304.db2.gz IJNIZIZUJNRFRN-NSHDSACASA-N 1 0 225.332 2.062 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]Cc1ccc(C#N)cc1 ZINC000181477813 385351250 /nfs/dbraw/zinc/35/12/50/385351250.db2.gz SPDFDKRVHFNUNL-CQSZACIVSA-N 1 0 246.354 2.445 20 30 BEEDRO CO[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000158201680 385360182 /nfs/dbraw/zinc/36/01/82/385360182.db2.gz LMCNRFZVCWWYAT-OAHLLOKOSA-N 1 0 247.313 2.288 20 30 BEEDRO C#CC[N@@H+]1CC2(CCOCC2)[C@H]1c1ccccc1 ZINC000491338972 385364968 /nfs/dbraw/zinc/36/49/68/385364968.db2.gz MWBLPTAXHJLMCQ-OAHLLOKOSA-N 1 0 241.334 2.473 20 30 BEEDRO CC(C)(O)CC[NH2+]CC(C)(C)CCC#N ZINC000309013032 385368918 /nfs/dbraw/zinc/36/89/18/385368918.db2.gz PUTLYCUCLSIVKS-UHFFFAOYSA-N 1 0 212.337 2.067 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCSCC ZINC000309041144 385377766 /nfs/dbraw/zinc/37/77/66/385377766.db2.gz LJAWZMYCFQGXAB-NWDGAFQWSA-N 1 0 229.389 2.310 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000309048502 385382202 /nfs/dbraw/zinc/38/22/02/385382202.db2.gz PPJKJCIYNMSAOR-MNOVXSKESA-N 1 0 213.321 2.130 20 30 BEEDRO C[C@@H]1COCC[N@H+](CCCC(C)(C)C#N)C1 ZINC000309060211 385396267 /nfs/dbraw/zinc/39/62/67/385396267.db2.gz YMRSHWGDNGQSRQ-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO COCCC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000309062545 385397257 /nfs/dbraw/zinc/39/72/57/385397257.db2.gz XPGANWAPCJZKOC-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@@]1(C)CCCO1 ZINC000309117019 385422328 /nfs/dbraw/zinc/42/23/28/385422328.db2.gz LXVPJTPQKFKOPC-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO COc1cccc([C@H](C)NCCC#N)c1 ZINC000020199654 385423267 /nfs/dbraw/zinc/42/32/67/385423267.db2.gz NFSXZGCKUXSMQA-JTQLQIEISA-N 1 0 204.273 2.259 20 30 BEEDRO Cc1cc(N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000309170531 385448456 /nfs/dbraw/zinc/44/84/56/385448456.db2.gz LDCJICUYZFHFDU-WDEREUQCSA-N 1 0 201.273 2.494 20 30 BEEDRO Cc1ccoc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309185750 385450570 /nfs/dbraw/zinc/45/05/70/385450570.db2.gz OSLRJDIYALFDNZ-MNOVXSKESA-N 1 0 204.273 2.370 20 30 BEEDRO COc1ccccc1CNC(=[NH2+])NCC(C)(C)C ZINC000170911021 385454936 /nfs/dbraw/zinc/45/49/36/385454936.db2.gz PBGRLNRPDZILLW-UHFFFAOYSA-N 1 0 249.358 2.146 20 30 BEEDRO CCCCNC(=[NH2+])N[C@H]1C[C@@H]1c1cccc(F)c1 ZINC000170911084 385454980 /nfs/dbraw/zinc/45/49/80/385454980.db2.gz MZLCLAHUMIEGMD-OLZOCXBDSA-N 1 0 249.333 2.386 20 30 BEEDRO Cc1cc(CNC(=[NH2+])NC(C)(C)C)cc(C)c1O ZINC000170906479 385455049 /nfs/dbraw/zinc/45/50/49/385455049.db2.gz SLHYRJNZIFVZGZ-UHFFFAOYSA-N 1 0 249.358 2.212 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)[C@H]1CCCO1 ZINC000182293034 385432261 /nfs/dbraw/zinc/43/22/61/385432261.db2.gz VBLOGJSGQRMWCB-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000341260770 385473332 /nfs/dbraw/zinc/47/33/32/385473332.db2.gz CEOUXIYOLAIYID-LSDHHAIUSA-N 1 0 244.338 2.463 20 30 BEEDRO Cc1c(C[NH2+]CC(C)(C)CCC#N)cnn1C ZINC000156592542 385460330 /nfs/dbraw/zinc/46/03/30/385460330.db2.gz VKUCWAVFMPDUAG-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)N[C@H](C)C(C)C ZINC000171616254 385502482 /nfs/dbraw/zinc/50/24/82/385502482.db2.gz URFRMEBORYEAIO-LLVKDONJSA-N 1 0 237.347 2.379 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C)(C#N)CC1)C(C)(C)O ZINC000590643821 385504655 /nfs/dbraw/zinc/50/46/55/385504655.db2.gz KSEBOZGPTWVKOR-ZBOXLXRLSA-N 1 0 224.348 2.208 20 30 BEEDRO CC[N@H+](CCCOC(C)C)C[C@@H](C)C#N ZINC000171500810 385489691 /nfs/dbraw/zinc/48/96/91/385489691.db2.gz AIPFWIJPXKIXJY-LBPRGKRZSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCc2ccc(O)cc2CC1 ZINC000591017630 385549093 /nfs/dbraw/zinc/54/90/93/385549093.db2.gz IUHXVNMBMBVRHS-LBPRGKRZSA-N 1 0 244.338 2.485 20 30 BEEDRO CCCC[C@@H](C[NH3+])NCc1cccc(C#N)c1 ZINC000564335546 385528298 /nfs/dbraw/zinc/52/82/98/385528298.db2.gz OLCSUWGSBVVZAB-AWEZNQCLSA-N 1 0 231.343 2.165 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)[C@@H]1CCCOC1 ZINC000309417871 385575216 /nfs/dbraw/zinc/57/52/16/385575216.db2.gz JMMIRHKFVPANFP-NWDGAFQWSA-N 1 0 242.388 2.038 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCCCC#N)cc1 ZINC000172118681 385550148 /nfs/dbraw/zinc/55/01/48/385550148.db2.gz IFIRPYBMESDMSS-UHFFFAOYSA-N 1 0 242.322 2.482 20 30 BEEDRO C=CCC1(C[NH2+]C[C@H](O)CSC)CCCC1 ZINC000591769818 385562815 /nfs/dbraw/zinc/56/28/15/385562815.db2.gz JITWSGQNDAIZNP-LBPRGKRZSA-N 1 0 243.416 2.436 20 30 BEEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000264446797 385563928 /nfs/dbraw/zinc/56/39/28/385563928.db2.gz RJIUVQVWFFHKKK-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO CCOC[C@@H]1CCC[C@H]1[NH2+]CCCCC#N ZINC000309409869 385572486 /nfs/dbraw/zinc/57/24/86/385572486.db2.gz BOKDEYGBRSJKRQ-QWHCGFSZSA-N 1 0 224.348 2.475 20 30 BEEDRO CCCC(C)(C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440132 385601356 /nfs/dbraw/zinc/60/13/56/385601356.db2.gz UPCZFAFRHUGJHZ-NSHDSACASA-N 1 0 239.363 2.093 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccnc(C#N)c1 ZINC000290811756 385616881 /nfs/dbraw/zinc/61/68/81/385616881.db2.gz ZRRVUVONOXHZMR-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO CC[C@H](C[NH2+]Cc1cc(C#N)cs1)OC ZINC000336678737 385618822 /nfs/dbraw/zinc/61/88/22/385618822.db2.gz IFZDWRAGCXVNGB-SNVBAGLBSA-N 1 0 224.329 2.134 20 30 BEEDRO CC[C@H](C)N(CC)C(=O)[C@H]([NH3+])CCCCC#N ZINC000595250474 385622106 /nfs/dbraw/zinc/62/21/06/385622106.db2.gz NMHXFJVFSFKIOQ-NWDGAFQWSA-N 1 0 239.363 2.045 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOC(F)(F)F)C1 ZINC000336679657 385624087 /nfs/dbraw/zinc/62/40/87/385624087.db2.gz NXYDKVKYRVKBPQ-BDAKNGLRSA-N 1 0 236.237 2.195 20 30 BEEDRO C=CCOc1ccccc1CNC[C@@H](C)C[NH2+]C ZINC000414850248 385632384 /nfs/dbraw/zinc/63/23/84/385632384.db2.gz ZDGBOTOHKODGTJ-ZDUSSCGKSA-N 1 0 248.370 2.197 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1cccc(F)c1)C(C)C ZINC000302401290 385635210 /nfs/dbraw/zinc/63/52/10/385635210.db2.gz RQYGHXSBTNUIJK-KGLIPLIRSA-N 1 0 235.302 2.107 20 30 BEEDRO C[C@]1(C2CC2)C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000595625030 385635681 /nfs/dbraw/zinc/63/56/81/385635681.db2.gz JJNZYFASGJWPAU-FPMFFAJLSA-N 1 0 234.343 2.180 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@@](C)(C2CC2)C1 ZINC000595624749 385635723 /nfs/dbraw/zinc/63/57/23/385635723.db2.gz FQEGTCRDSDBSOT-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](CCC#N)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000411768193 385607448 /nfs/dbraw/zinc/60/74/48/385607448.db2.gz HJXAVRDYLOFYJU-STQMWFEESA-N 1 0 235.375 2.095 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cccnc1C#N ZINC000218093528 385611925 /nfs/dbraw/zinc/61/19/25/385611925.db2.gz QYKXMNOAJXDSDP-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](C)CC1CCOCC1 ZINC000309521896 385659511 /nfs/dbraw/zinc/65/95/11/385659511.db2.gz ALKFJPIHFZJTDJ-ZDUSSCGKSA-N 1 0 223.360 2.442 20 30 BEEDRO C=C(C)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000059386455 385662176 /nfs/dbraw/zinc/66/21/76/385662176.db2.gz KZRPQDHZGULPAL-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC1(CO)CCC1)C1CC1 ZINC000184524859 385671852 /nfs/dbraw/zinc/67/18/52/385671852.db2.gz NIKQBTVAJCHDPE-CYBMUJFWSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1csc(C)n1 ZINC000309541660 385677385 /nfs/dbraw/zinc/67/73/85/385677385.db2.gz GAVANVVTKZWVBR-KOLCDFICSA-N 1 0 240.372 2.429 20 30 BEEDRO C[C@H](CCO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000397785437 385711053 /nfs/dbraw/zinc/71/10/53/385711053.db2.gz QJUUBESPNFWRHM-LBPRGKRZSA-N 1 0 232.327 2.056 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000309582050 385713385 /nfs/dbraw/zinc/71/33/85/385713385.db2.gz QQJNDNSGYUDJTR-JHJVBQTASA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCNC(=[NH+]CC)N1CCC2(C1)CCCCC2 ZINC000262482878 533141698 /nfs/dbraw/zinc/14/16/98/533141698.db2.gz RVZDUNURAKAVKA-UHFFFAOYSA-N 1 0 247.386 2.241 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000309531564 385667678 /nfs/dbraw/zinc/66/76/78/385667678.db2.gz BXGFFOWIQUSMSP-DGCLKSJQSA-N 1 0 224.348 2.067 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)c1 ZINC000253295406 385668070 /nfs/dbraw/zinc/66/80/70/385668070.db2.gz QUIUZOGEFSPADT-XQQFMLRXSA-N 1 0 248.351 2.277 20 30 BEEDRO C#C[C@H]1COCCN1Cc1ccccc1SC ZINC000491734101 385729424 /nfs/dbraw/zinc/72/94/24/385729424.db2.gz SHQIVHHGQRLDNR-ZDUSSCGKSA-N 1 0 247.363 2.243 20 30 BEEDRO CC(C)(CCO)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185845331 385737373 /nfs/dbraw/zinc/73/73/73/385737373.db2.gz HLJDJVPFODSQMQ-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(CCO)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185845365 385738133 /nfs/dbraw/zinc/73/81/33/385738133.db2.gz HLJDJVPFODSQMQ-VXGBXAGGSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185873849 385742110 /nfs/dbraw/zinc/74/21/10/385742110.db2.gz WPNQAJISYIISSN-CHWSQXEVSA-N 1 0 222.332 2.251 20 30 BEEDRO Cn1cc(C[NH2+]C2(C3(C)CC3)CC2)cc1C#N ZINC000398202664 385742654 /nfs/dbraw/zinc/74/26/54/385742654.db2.gz AKOYPMJBPZKENQ-UHFFFAOYSA-N 1 0 229.327 2.319 20 30 BEEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCCC#N ZINC000186381827 385758880 /nfs/dbraw/zinc/75/88/80/385758880.db2.gz GPDAYCQYXJHNQM-OLZOCXBDSA-N 1 0 224.348 2.473 20 30 BEEDRO COCC#CC[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000645250246 385776385 /nfs/dbraw/zinc/77/63/85/385776385.db2.gz JMOMEYBNTOEIEB-STQMWFEESA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000186696012 385782378 /nfs/dbraw/zinc/78/23/78/385782378.db2.gz ONRAJAFOBKTWPF-FZMZJTMJSA-N 1 0 230.311 2.146 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccsc1 ZINC000186706163 385784069 /nfs/dbraw/zinc/78/40/69/385784069.db2.gz PSPNZVWFOKBWME-KOLCDFICSA-N 1 0 211.330 2.336 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccsc1 ZINC000186706197 385784347 /nfs/dbraw/zinc/78/43/47/385784347.db2.gz PSPNZVWFOKBWME-MWLCHTKSSA-N 1 0 211.330 2.336 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000186712755 385784457 /nfs/dbraw/zinc/78/44/57/385784457.db2.gz YGEXNGFIIHGKBC-DOMZBBRYSA-N 1 0 247.338 2.209 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2ccccc2C1 ZINC000186714982 385785141 /nfs/dbraw/zinc/78/51/41/385785141.db2.gz HKZVYVSEVSUOBY-HUUCEWRRSA-N 1 0 231.339 2.071 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000116926500 385803580 /nfs/dbraw/zinc/80/35/80/385803580.db2.gz FDWYNASROILPAO-SECBINFHSA-N 1 0 207.321 2.091 20 30 BEEDRO N#CC1CCC([NH2+]CCOCC2CCC2)CC1 ZINC000602614894 385809189 /nfs/dbraw/zinc/80/91/89/385809189.db2.gz AKVOBOIINSZJHK-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO COc1cc(C#N)ccc1C[N@H+](C)CC1CC1 ZINC000120664680 385816153 /nfs/dbraw/zinc/81/61/53/385816153.db2.gz JHQKLKRFIOUQQR-UHFFFAOYSA-N 1 0 230.311 2.409 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(F)cc(F)c1 ZINC000320250004 385819528 /nfs/dbraw/zinc/81/95/28/385819528.db2.gz IBBJRUPMXAKJEH-CYBMUJFWSA-N 1 0 241.281 2.382 20 30 BEEDRO CC(C)[N@H+](Cc1ccc(C#N)o1)[C@H]1CCOC1 ZINC000291178398 385842641 /nfs/dbraw/zinc/84/26/41/385842641.db2.gz FKXUPVKAPGWKOR-NSHDSACASA-N 1 0 234.299 2.151 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000491747168 385796632 /nfs/dbraw/zinc/79/66/32/385796632.db2.gz CIOOQNRGAZNIHO-ZDUSSCGKSA-N 1 0 245.370 2.380 20 30 BEEDRO CC[NH+](CC)CCNc1ccc(C#N)c(C)n1 ZINC000291666085 385908355 /nfs/dbraw/zinc/90/83/55/385908355.db2.gz PKTFUMZYOUFABT-UHFFFAOYSA-N 1 0 232.331 2.015 20 30 BEEDRO CO[C@H](C)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000182433729 385862455 /nfs/dbraw/zinc/86/24/55/385862455.db2.gz REJLPFADWSMUKL-MNOVXSKESA-N 1 0 218.300 2.244 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](OCC)[C@H](C)C1 ZINC000451542466 385866880 /nfs/dbraw/zinc/86/68/80/385866880.db2.gz NPHRJEMCDGVHII-RDBSUJKOSA-N 1 0 241.375 2.060 20 30 BEEDRO C#CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000120666687 533150068 /nfs/dbraw/zinc/15/00/68/533150068.db2.gz BRRQAHGKVKRLOV-UHFFFAOYSA-N 1 0 239.322 2.376 20 30 BEEDRO CC(C)(C#N)CCCCn1ccnc1C[NH3+] ZINC000232528335 385875465 /nfs/dbraw/zinc/87/54/65/385875465.db2.gz ONYQNNUHWDZFRX-UHFFFAOYSA-N 1 0 220.320 2.062 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000294647812 385878389 /nfs/dbraw/zinc/87/83/89/385878389.db2.gz QJOZSYOWCNFBNP-UHFFFAOYSA-N 1 0 216.328 2.126 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000643254527 385987369 /nfs/dbraw/zinc/98/73/69/385987369.db2.gz NXMDXFHOZJJPGR-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1ccnc(C#N)c1 ZINC000286068388 385991061 /nfs/dbraw/zinc/99/10/61/385991061.db2.gz IZMHEKXINONFGM-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1ccn(C)n1 ZINC000414143977 385991941 /nfs/dbraw/zinc/99/19/41/385991941.db2.gz JEWLPDRKFKMZLL-SNVBAGLBSA-N 1 0 207.321 2.283 20 30 BEEDRO COc1ccc(C[C@@H](C)[NH2+]CCCCC#N)cn1 ZINC000414065223 385943052 /nfs/dbraw/zinc/94/30/52/385943052.db2.gz FSFZYRZUEGLXFU-GFCCVEGCSA-N 1 0 247.342 2.305 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000393884980 385965118 /nfs/dbraw/zinc/96/51/18/385965118.db2.gz RABOIBJRJRRVGF-OLZOCXBDSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425402608 385965434 /nfs/dbraw/zinc/96/54/34/385965434.db2.gz IWECDVLWKXUPLY-GFCCVEGCSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)c1ccn(C)n1 ZINC000414122139 385971981 /nfs/dbraw/zinc/97/19/81/385971981.db2.gz AWYSQPGBTUEJII-NSHDSACASA-N 1 0 234.347 2.401 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000414111855 386007078 /nfs/dbraw/zinc/00/70/78/386007078.db2.gz XOOLDVMFJKNXDO-YVECIDJPSA-N 1 0 211.349 2.195 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@H]1CCCO1 ZINC000414168721 386015648 /nfs/dbraw/zinc/01/56/48/386015648.db2.gz RAUBROZZULYYJY-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCO1 ZINC000414168724 386015989 /nfs/dbraw/zinc/01/59/89/386015989.db2.gz RAUBROZZULYYJY-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+]CC(C)(C)CC#N ZINC000414169746 386016422 /nfs/dbraw/zinc/01/64/22/386016422.db2.gz SAALGTCLXLQLRZ-NSHDSACASA-N 1 0 232.331 2.376 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000295358051 386016838 /nfs/dbraw/zinc/01/68/38/386016838.db2.gz ZFZBMNQUTZJORN-GFCCVEGCSA-N 1 0 247.342 2.067 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CC(C)(C)CC#N)nn1C ZINC000414172224 386018346 /nfs/dbraw/zinc/01/83/46/386018346.db2.gz VTXKPJUYQBAREQ-NSHDSACASA-N 1 0 234.347 2.319 20 30 BEEDRO CC[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCOC1 ZINC000414175049 386019730 /nfs/dbraw/zinc/01/97/30/386019730.db2.gz YWILYEHVQFDQML-NEPJUHHUSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cc2n(n1)CCC2 ZINC000414175734 386020163 /nfs/dbraw/zinc/02/01/63/386020163.db2.gz ZNEPPBTWMNQSQI-LLVKDONJSA-N 1 0 246.358 2.420 20 30 BEEDRO C[N@H+](CCc1cnccn1)CC(C)(C)CCC#N ZINC000273697959 386025343 /nfs/dbraw/zinc/02/53/43/386025343.db2.gz CSJWAXCGZIGDAS-UHFFFAOYSA-N 1 0 246.358 2.281 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccn(CC)n1 ZINC000414204289 386040166 /nfs/dbraw/zinc/04/01/66/386040166.db2.gz FVBSKPYBIMBMGK-LLVKDONJSA-N 1 0 207.321 2.347 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]CC(C)(C)CC#N ZINC000414164508 386047641 /nfs/dbraw/zinc/04/76/41/386047641.db2.gz KGUOMMODQQUQJA-SNVBAGLBSA-N 1 0 212.337 2.329 20 30 BEEDRO C=CCCC[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000188031981 386049394 /nfs/dbraw/zinc/04/93/94/386049394.db2.gz FAOPMMNDASJEQV-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@@](C)(CC)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000414646658 386057669 /nfs/dbraw/zinc/05/76/69/386057669.db2.gz PTQBMOQBQJCEHI-CABZTGNLSA-N 1 0 223.320 2.074 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H](CCO)c1ccco1 ZINC000274454569 386105690 /nfs/dbraw/zinc/10/56/90/386105690.db2.gz VTVBPFFUXKBDES-LLVKDONJSA-N 1 0 236.315 2.233 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H](O)C(C)C ZINC000414297915 386106745 /nfs/dbraw/zinc/10/67/45/386106745.db2.gz PYYDIJROWSPZDD-QNWHQSFQSA-N 1 0 224.348 2.064 20 30 BEEDRO CN(CC(C)(C)C#N)[C@@H]1CC[C@H](C#N)C1 ZINC000334460013 386110585 /nfs/dbraw/zinc/11/05/85/386110585.db2.gz UFTPFLLTGCSHPG-WDEREUQCSA-N 1 0 205.305 2.160 20 30 BEEDRO C=CCCC1(c2nc(C[C@H](C)[NH2+]C)no2)CC1 ZINC000414651236 386071035 /nfs/dbraw/zinc/07/10/35/386071035.db2.gz VANJSURCAJNTEZ-JTQLQIEISA-N 1 0 235.331 2.218 20 30 BEEDRO C=C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC000345266687 386087148 /nfs/dbraw/zinc/08/71/48/386087148.db2.gz WICTUOHIJJDSDF-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414274820 386090131 /nfs/dbraw/zinc/09/01/31/386090131.db2.gz SHOCAWISDGHIBX-UHFFFAOYSA-N 1 0 227.210 2.284 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)s1 ZINC000320292362 386147935 /nfs/dbraw/zinc/14/79/35/386147935.db2.gz QJAKZDKYTUNUPG-NSHDSACASA-N 1 0 225.357 2.473 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000164698014 386157248 /nfs/dbraw/zinc/15/72/48/386157248.db2.gz MMESSIUOUKTDIQ-VIFPVBQESA-N 1 0 237.299 2.429 20 30 BEEDRO C=C(CC)CNC(=O)Nc1ccccc1C[NH2+]C ZINC000415903237 386158729 /nfs/dbraw/zinc/15/87/29/386158729.db2.gz QABKHCXTNYSNOI-UHFFFAOYSA-N 1 0 247.342 2.494 20 30 BEEDRO C=C(C)CN(C)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415958604 386168342 /nfs/dbraw/zinc/16/83/42/386168342.db2.gz OBGPCFMDCCGWLL-UHFFFAOYSA-N 1 0 233.315 2.185 20 30 BEEDRO C[C@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@@H]1O ZINC000164634309 386168950 /nfs/dbraw/zinc/16/89/50/386168950.db2.gz JLVUMEWONCQNSJ-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415968189 386171043 /nfs/dbraw/zinc/17/10/43/386171043.db2.gz XLUAFVHFBCNVBF-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000164648965 386174848 /nfs/dbraw/zinc/17/48/48/386174848.db2.gz MPCICZKDMHPRQO-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C(C)CNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000416003234 386177993 /nfs/dbraw/zinc/17/79/93/386177993.db2.gz FCXVYXPSVBZOKO-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO C=CC1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414687906 386180958 /nfs/dbraw/zinc/18/09/58/386180958.db2.gz CRNBSZNPBBXXLM-UHFFFAOYSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@@H]1CC[NH2+]C1 ZINC000647872580 386138631 /nfs/dbraw/zinc/13/86/31/386138631.db2.gz BXVWQMZJIJBOIX-GFCCVEGCSA-N 1 0 236.384 2.346 20 30 BEEDRO C=CCCC[NH2+][C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000190009743 386140961 /nfs/dbraw/zinc/14/09/61/386140961.db2.gz QPFGHNSFHHQROL-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416093974 386204313 /nfs/dbraw/zinc/20/43/13/386204313.db2.gz AAYQNPDLTAKRHA-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000225815536 386219258 /nfs/dbraw/zinc/21/92/58/386219258.db2.gz CJMWGGTZZWHXPH-OAHLLOKOSA-N 1 0 246.354 2.445 20 30 BEEDRO C=CCOc1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000347033994 386224385 /nfs/dbraw/zinc/22/43/85/386224385.db2.gz BOSNFLHUZCHQPL-CQSZACIVSA-N 1 0 246.354 2.175 20 30 BEEDRO C=CC1CC[NH+](CCOC2CCC2)CC1 ZINC000347040656 386226936 /nfs/dbraw/zinc/22/69/36/386226936.db2.gz AYJADCNNCPKECH-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416209405 386242565 /nfs/dbraw/zinc/24/25/65/386242565.db2.gz KINIZHNMJAWXDT-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000267204754 386196408 /nfs/dbraw/zinc/19/64/08/386196408.db2.gz ARDJJRYHLQDZIF-DGCLKSJQSA-N 1 0 244.342 2.238 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000451679482 386304942 /nfs/dbraw/zinc/30/49/42/386304942.db2.gz HKMQXFZMOXRXFA-MXWKQRLJSA-N 1 0 201.285 2.058 20 30 BEEDRO N#CC1(C[N@@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000334480072 386311863 /nfs/dbraw/zinc/31/18/63/386311863.db2.gz UJRDWSWMCMHYSS-UHFFFAOYSA-N 1 0 234.343 2.183 20 30 BEEDRO CCN(CC[NH+]1CCCCCC1)CC1(C#N)CC1 ZINC000347275411 386312511 /nfs/dbraw/zinc/31/25/11/386312511.db2.gz BSEGJAYELIJRIK-UHFFFAOYSA-N 1 0 249.402 2.488 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)CCCc1ccncc1 ZINC000347271802 386314044 /nfs/dbraw/zinc/31/40/44/386314044.db2.gz VFXIRFSGOGNJHJ-LBPRGKRZSA-N 1 0 217.316 2.248 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)[C@H](C)O1 ZINC000347195177 386263768 /nfs/dbraw/zinc/26/37/68/386263768.db2.gz ZPPBUUHPJKBTHA-WOPDTQHZSA-N 1 0 224.348 2.424 20 30 BEEDRO C[C@H]1CC[C@](CO)([N@H+](C)CCC(C)(C)C#N)C1 ZINC000347169585 386267616 /nfs/dbraw/zinc/26/76/16/386267616.db2.gz OSDIAHJUPKTITM-JSGCOSHPSA-N 1 0 238.375 2.409 20 30 BEEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCC(C)(C)C#N ZINC000347195336 386272723 /nfs/dbraw/zinc/27/27/23/386272723.db2.gz JQQJMUPPIRIJDP-FRRDWIJNSA-N 1 0 238.375 2.408 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)C1CCC(O)CC1 ZINC000347244606 386275404 /nfs/dbraw/zinc/27/54/04/386275404.db2.gz ZXPIKFVWTYQYOS-UHFFFAOYSA-N 1 0 224.348 2.162 20 30 BEEDRO Cc1nc(CC[NH2+]Cc2ccc(C#N)o2)cs1 ZINC000230640448 386349963 /nfs/dbraw/zinc/34/99/63/386349963.db2.gz VVPLTIBFHUBDLQ-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000191071641 386356113 /nfs/dbraw/zinc/35/61/13/386356113.db2.gz SKHLVOGZMKFPLP-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(C)C ZINC000086695425 386357666 /nfs/dbraw/zinc/35/76/66/386357666.db2.gz WCKHHYXXCZOLNB-CQSZACIVSA-N 1 0 232.327 2.319 20 30 BEEDRO C=CCN1CCC([NH2+]Cc2cnccc2C)CC1 ZINC000280933988 386359825 /nfs/dbraw/zinc/35/98/25/386359825.db2.gz QNGJISKKCNAPDI-UHFFFAOYSA-N 1 0 245.370 2.130 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)n[nH]c1C ZINC000280656830 386367588 /nfs/dbraw/zinc/36/75/88/386367588.db2.gz OSHUQZTZELEYGR-JSGCOSHPSA-N 1 0 249.358 2.097 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccn(C)c1 ZINC000280758849 386372517 /nfs/dbraw/zinc/37/25/17/386372517.db2.gz YNOWMAQYIPITOR-KGLIPLIRSA-N 1 0 234.343 2.096 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccn(C)c1 ZINC000280758851 386374711 /nfs/dbraw/zinc/37/47/11/386374711.db2.gz YNOWMAQYIPITOR-ZIAGYGMSSA-N 1 0 234.343 2.096 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)C1CCCCC1 ZINC000336773936 386330741 /nfs/dbraw/zinc/33/07/41/386330741.db2.gz ZBYGBRSGGQXZFQ-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cncc(C)c1 ZINC000453335942 386445667 /nfs/dbraw/zinc/44/56/67/386445667.db2.gz AOHLTHHJUSMCKB-TZMCWYRMSA-N 1 0 234.343 2.368 20 30 BEEDRO C=CCOc1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1 ZINC000415009050 386402662 /nfs/dbraw/zinc/40/26/62/386402662.db2.gz NRHMBXLBRGSYTL-NWDGAFQWSA-N 1 0 234.343 2.077 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc(C)n(C)n1 ZINC000414429632 386417226 /nfs/dbraw/zinc/41/72/26/386417226.db2.gz CLFOBZWYDZJWBT-NSHDSACASA-N 1 0 207.321 2.173 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417908114 386428851 /nfs/dbraw/zinc/42/88/51/386428851.db2.gz AZVFUSHHQMTAMY-GFCCVEGCSA-N 1 0 246.354 2.443 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1ccc(F)cc1 ZINC000320096613 386484662 /nfs/dbraw/zinc/48/46/62/386484662.db2.gz ASZTUAXNXDOOGO-CYBMUJFWSA-N 1 0 223.291 2.242 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(CC)nc1 ZINC000414443827 386485562 /nfs/dbraw/zinc/48/55/62/386485562.db2.gz JKSNFJQRVUMRII-LBPRGKRZSA-N 1 0 219.332 2.483 20 30 BEEDRO CCn1cc(C[N@H+](C)[C@@H]2CC[C@H](C#N)C2)cn1 ZINC000519549921 386486087 /nfs/dbraw/zinc/48/60/87/386486087.db2.gz HVPAKRKDANBGCJ-WCQYABFASA-N 1 0 232.331 2.027 20 30 BEEDRO CCn1cc(C[N@H+](C)[C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000519549920 386487251 /nfs/dbraw/zinc/48/72/51/386487251.db2.gz HVPAKRKDANBGCJ-DGCLKSJQSA-N 1 0 232.331 2.027 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C#N)cc2)C1 ZINC000267713730 386488613 /nfs/dbraw/zinc/48/86/13/386488613.db2.gz XERKEMJCVOZRKN-FZMZJTMJSA-N 1 0 230.311 2.340 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000417351885 386490444 /nfs/dbraw/zinc/49/04/44/386490444.db2.gz SUCIYWVKAYHRIT-WISYIIOYSA-N 1 0 237.368 2.377 20 30 BEEDRO CC[C@@](C)(C[NH2+]Cc1ccc(C#N)o1)OC ZINC000322747428 386495414 /nfs/dbraw/zinc/49/54/14/386495414.db2.gz BQEBRWYEXIICAH-LBPRGKRZSA-N 1 0 222.288 2.056 20 30 BEEDRO CC[C@](C)(C[NH2+]Cc1ccc(C#N)o1)OC ZINC000322746582 386496555 /nfs/dbraw/zinc/49/65/55/386496555.db2.gz BQEBRWYEXIICAH-GFCCVEGCSA-N 1 0 222.288 2.056 20 30 BEEDRO C=C(C)CN(CC[NH+](C)C)Cc1ccccn1 ZINC000519605098 386502477 /nfs/dbraw/zinc/50/24/77/386502477.db2.gz IRMIXPAFLPFJTR-UHFFFAOYSA-N 1 0 233.359 2.021 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCN2CCCCCC2)C1 ZINC000442705562 386506703 /nfs/dbraw/zinc/50/67/03/386506703.db2.gz BRHGOQYPOCXOOU-KBPBESRZSA-N 1 0 235.375 2.144 20 30 BEEDRO C=C(C)C[N@@H+](CCOC)Cc1ccco1 ZINC000046062144 386508702 /nfs/dbraw/zinc/50/87/02/386508702.db2.gz DZYCTYKCTAPMTG-UHFFFAOYSA-N 1 0 209.289 2.304 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414784375 386513793 /nfs/dbraw/zinc/51/37/93/386513793.db2.gz HTXGYUUMQGBLBL-UHFFFAOYSA-N 1 0 246.354 2.093 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(C(F)(F)F)cn1 ZINC000277680517 386458205 /nfs/dbraw/zinc/45/82/05/386458205.db2.gz UHBQWLKHJYSMMX-UHFFFAOYSA-N 1 0 247.220 2.299 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000161760875 386461391 /nfs/dbraw/zinc/46/13/91/386461391.db2.gz CRAXAYGSTVPEFT-CHWSQXEVSA-N 1 0 244.342 2.191 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000035142204 386462811 /nfs/dbraw/zinc/46/28/11/386462811.db2.gz SAXXNTCMMMLEAW-SNVBAGLBSA-N 1 0 200.285 2.446 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000336757300 386581693 /nfs/dbraw/zinc/58/16/93/386581693.db2.gz JZWYOTUCXUOJSI-RYUDHWBXSA-N 1 0 229.389 2.453 20 30 BEEDRO C=C(C)[C@H]([NH2+]CCO)c1ccc(F)c(F)c1 ZINC000187766663 386592985 /nfs/dbraw/zinc/59/29/85/386592985.db2.gz ZPKOHEWYGPVGFY-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO CC#CCN(C)Cc1nc(C2CC2)cs1 ZINC000339759608 386593523 /nfs/dbraw/zinc/59/35/23/386593523.db2.gz GQGGAZHAWMPOGK-UHFFFAOYSA-N 1 0 220.341 2.476 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1CCc2ccc(OC)cc2C1 ZINC000123110159 386541088 /nfs/dbraw/zinc/54/10/88/386541088.db2.gz AGAQVAQONRAROP-FZMZJTMJSA-N 1 0 229.323 2.164 20 30 BEEDRO C=CCCN1CCc2ccccc2[C@@H]1C[NH3+] ZINC000647995858 386559111 /nfs/dbraw/zinc/55/91/11/386559111.db2.gz QNLMMNHBMDPIJF-AWEZNQCLSA-N 1 0 216.328 2.121 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1(N(C)C)CC1 ZINC000417361040 386564554 /nfs/dbraw/zinc/56/45/54/386564554.db2.gz YEHBEMWAGJDPJJ-GFCCVEGCSA-N 1 0 210.365 2.415 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000335407832 386569308 /nfs/dbraw/zinc/56/93/08/386569308.db2.gz JSULQCYZJGWXGM-LBPRGKRZSA-N 1 0 227.373 2.161 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2CCN(C3CC3)CC2)C1 ZINC000185710906 386632139 /nfs/dbraw/zinc/63/21/39/386632139.db2.gz QIKNTSCQQHRWOM-TZMCWYRMSA-N 1 0 247.386 2.285 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000417377587 386646642 /nfs/dbraw/zinc/64/66/42/386646642.db2.gz DFCAZXSFONFPRD-WDEREUQCSA-N 1 0 232.318 2.270 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000335424856 386601868 /nfs/dbraw/zinc/60/18/68/386601868.db2.gz UDFNDZAOEZDBJG-CVEARBPZSA-N 1 0 241.334 2.149 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000034873321 386609417 /nfs/dbraw/zinc/60/94/17/386609417.db2.gz KFYDBROQPJKCSA-NSHDSACASA-N 1 0 232.283 2.091 20 30 in-vitro BEEDRO C[N@H+](CCCF)Cc1cccc(C#N)c1 ZINC000128824187 386617237 /nfs/dbraw/zinc/61/72/37/386617237.db2.gz YHUAVMVRSLKFIB-UHFFFAOYSA-N 1 0 206.264 2.350 20 30 BEEDRO C=C(C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000428124793 386664038 /nfs/dbraw/zinc/66/40/38/386664038.db2.gz IBIUTSBNSMUUBG-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000428124794 386664570 /nfs/dbraw/zinc/66/45/70/386664570.db2.gz IBIUTSBNSMUUBG-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H]1CCSC1 ZINC000336647879 386679057 /nfs/dbraw/zinc/67/90/57/386679057.db2.gz CGWQLARFGIIXLC-AGIUHOORSA-N 1 0 241.400 2.310 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CC2(O)CCCCC2)C1 ZINC000185810108 386687207 /nfs/dbraw/zinc/68/72/07/386687207.db2.gz LNEIHHZDKDJZIF-OLZOCXBDSA-N 1 0 236.359 2.354 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192857635 386688236 /nfs/dbraw/zinc/68/82/36/386688236.db2.gz FGHYOSOCZYRCAW-YNEHKIRRSA-N 1 0 224.348 2.065 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000520575107 386701169 /nfs/dbraw/zinc/70/11/69/386701169.db2.gz BSQYGNYDXHSDFH-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CCCC1(C#N)CCOCC1 ZINC000330392090 386701178 /nfs/dbraw/zinc/70/11/78/386701178.db2.gz PNTVLECRZDUNRQ-ZDUSSCGKSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CCC)C1CCC1 ZINC000324969700 386708094 /nfs/dbraw/zinc/70/80/94/386708094.db2.gz NHVBVPHWUVBOCD-YPMHNXCESA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)CCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000452716016 386736794 /nfs/dbraw/zinc/73/67/94/386736794.db2.gz GBISMIZDDLCPMB-LLVKDONJSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H]1c1cn(C)nc1C ZINC000645091815 386718088 /nfs/dbraw/zinc/71/80/88/386718088.db2.gz UJMFRQUMLKWQKO-AWEZNQCLSA-N 1 0 249.358 2.068 20 30 BEEDRO C[C@@H]([NH2+]CC1(C)COC1)c1ccc(C#N)cc1F ZINC000358585007 386744712 /nfs/dbraw/zinc/74/47/12/386744712.db2.gz IGDXIKPFTMRSFT-SNVBAGLBSA-N 1 0 248.301 2.384 20 30 BEEDRO C=C(C)CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000452720323 386750518 /nfs/dbraw/zinc/75/05/18/386750518.db2.gz WHHZRFXDOKUQPV-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CCCC#N)C1(C)C ZINC000230405243 134513926 /nfs/dbraw/zinc/51/39/26/134513926.db2.gz ZPHWXQUAQDKFBB-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000192445529 386770870 /nfs/dbraw/zinc/77/08/70/386770870.db2.gz DJVJHJZKUXRBAD-VOMCLLRMSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000450859105 386777216 /nfs/dbraw/zinc/77/72/16/386777216.db2.gz MAFJCQYAOQAGLE-XQQFMLRXSA-N 1 0 221.344 2.500 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417979512 386784523 /nfs/dbraw/zinc/78/45/23/386784523.db2.gz JCPCMNMIVAPKJT-NWDGAFQWSA-N 1 0 241.379 2.014 20 30 BEEDRO CCCN(CC)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000192925393 386797930 /nfs/dbraw/zinc/79/79/30/386797930.db2.gz PEEOTMZFTIAIFQ-UONOGXRCSA-N 1 0 237.391 2.390 20 30 BEEDRO CC(C)(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193035466 386813617 /nfs/dbraw/zinc/81/36/17/386813617.db2.gz IDQWJWZLTVMXMY-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO CC[C@@H]1C[NH+](CCCC#N)C[C@@H](CC)O1 ZINC000398474311 386827922 /nfs/dbraw/zinc/82/79/22/386827922.db2.gz QXTLPOXWBMUFRU-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO CC#CC[NH2+][C@@H](C)c1cccc(NC(C)=O)c1 ZINC000051663302 386835122 /nfs/dbraw/zinc/83/51/22/386835122.db2.gz XDMIVFVEDOKYMO-NSHDSACASA-N 1 0 230.311 2.319 20 30 BEEDRO C=CCCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341063167 386835207 /nfs/dbraw/zinc/83/52/07/386835207.db2.gz DISOEWVBNGTAMW-BETUJISGSA-N 1 0 238.375 2.332 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]Cc1ccccc1C#N ZINC000229813528 386846085 /nfs/dbraw/zinc/84/60/85/386846085.db2.gz ZJDNUJFSRDYIPV-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO CCC#C[C@@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187055 386849643 /nfs/dbraw/zinc/84/96/43/386849643.db2.gz WVKJHXFTTAUMKB-CABCVRRESA-N 1 0 234.387 2.206 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000165162232 386875259 /nfs/dbraw/zinc/87/52/59/386875259.db2.gz KEGLQPRZUFEBTD-BXKDBHETSA-N 1 0 238.356 2.116 20 30 BEEDRO CC1(C)CN(CC2(C#N)CC2)[C@@H]2CCC[C@H]2O1 ZINC000335770400 386915830 /nfs/dbraw/zinc/91/58/30/386915830.db2.gz BOYWLOMEZBPSQN-VXGBXAGGSA-N 1 0 234.343 2.322 20 30 BEEDRO C=C(C)C[NH+]1CCC2(CCOCC2)CC1 ZINC000335763560 386904831 /nfs/dbraw/zinc/90/48/31/386904831.db2.gz FMPDUQQJETVTLI-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO CN1C[C@@H]2CCC[N@H+](CC(C)(C)CCC#N)[C@@H]2C1 ZINC000425357553 386913451 /nfs/dbraw/zinc/91/34/51/386913451.db2.gz PDQHZPKDEWIZDM-UONOGXRCSA-N 1 0 249.402 2.342 20 30 BEEDRO CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CCO1 ZINC000582176154 386938437 /nfs/dbraw/zinc/93/84/37/386938437.db2.gz FDTYFAIWDPUSFK-MCIONIFRSA-N 1 0 249.358 2.223 20 30 BEEDRO C=CCn1cc(C[NH2+]C2CC(C(C)(C)C)C2)nn1 ZINC000425353587 386964802 /nfs/dbraw/zinc/96/48/02/386964802.db2.gz LTAWYIFEIWUCNY-UHFFFAOYSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC1(SC)CCC1 ZINC000425360161 386977668 /nfs/dbraw/zinc/97/76/68/386977668.db2.gz WUNUKNCMUYBTNI-RYUDHWBXSA-N 1 0 241.400 2.453 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000168600629 387036448 /nfs/dbraw/zinc/03/64/48/387036448.db2.gz VPTBXCIUGRSZBT-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2cccc(C#N)c2)C1 ZINC000190920615 387038290 /nfs/dbraw/zinc/03/82/90/387038290.db2.gz CPYWUCHMUIMYRZ-KBPBESRZSA-N 1 0 230.311 2.215 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000348284810 387042470 /nfs/dbraw/zinc/04/24/70/387042470.db2.gz WUVRGXYMPBPYAB-SWLSCSKDSA-N 1 0 246.354 2.473 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000334968308 387050249 /nfs/dbraw/zinc/05/02/49/387050249.db2.gz SLDICAUORMLOOK-LBPRGKRZSA-N 1 0 209.333 2.332 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000228088591 387067439 /nfs/dbraw/zinc/06/74/39/387067439.db2.gz RBSVIJSJIAQFOP-YPMHNXCESA-N 1 0 232.327 2.076 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3(C#N)CCC3)C[C@H]2C1 ZINC000425374656 387013842 /nfs/dbraw/zinc/01/38/42/387013842.db2.gz XUBSLAHDQZPMID-KPWCQOOUSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CC[C@H]1SC ZINC000425366845 387025036 /nfs/dbraw/zinc/02/50/36/387025036.db2.gz GPMAGZTXQSXSKE-NOOOWODRSA-N 1 0 227.373 2.204 20 30 BEEDRO CC[C@H](C(=O)Nc1cc(C)cc(C#N)c1)[NH+](C)C ZINC000456932285 387029716 /nfs/dbraw/zinc/02/97/16/387029716.db2.gz ARGYUYGJZZUZGU-CYBMUJFWSA-N 1 0 245.326 2.145 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cncn1CC ZINC000418039162 387073961 /nfs/dbraw/zinc/07/39/61/387073961.db2.gz SZQKGTJJPKRINF-GFCCVEGCSA-N 1 0 219.332 2.444 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1COC(C)(C)C1 ZINC000418045104 387074778 /nfs/dbraw/zinc/07/47/78/387074778.db2.gz NGSHUCYHIZIJLM-XQQFMLRXSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(OC)c1 ZINC000321286520 387087560 /nfs/dbraw/zinc/08/75/60/387087560.db2.gz GVFHDKCYVBVZIM-CYBMUJFWSA-N 1 0 235.327 2.112 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCOCC(F)F ZINC000188757537 387091381 /nfs/dbraw/zinc/09/13/81/387091381.db2.gz SXWHBHZMYROQQH-ZJUUUORDSA-N 1 0 221.291 2.458 20 30 BEEDRO CC[C@H]1C[C@H](C[NH2+]CC2(C#N)CCC2)CCO1 ZINC000418137165 387175255 /nfs/dbraw/zinc/17/52/55/387175255.db2.gz DHXRKKQPQYOBRW-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418147739 387177092 /nfs/dbraw/zinc/17/70/92/387177092.db2.gz MMVLPAQNHOFSGK-NEPJUHHUSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CC[C@H](CC)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000418155764 387177600 /nfs/dbraw/zinc/17/76/00/387177600.db2.gz ZXJHHPVLXXIQFZ-NWDGAFQWSA-N 1 0 241.379 2.158 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000418155766 387177626 /nfs/dbraw/zinc/17/76/26/387177626.db2.gz ZXJHHPVLXXIQFZ-VXGBXAGGSA-N 1 0 241.379 2.158 20 30 BEEDRO N#CCCCCN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000062980000 387189253 /nfs/dbraw/zinc/18/92/53/387189253.db2.gz ZLOCKMFJSRQKOS-CQSZACIVSA-N 1 0 235.375 2.240 20 30 BEEDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(C#N)n(C)c2)C[C@H]1C ZINC000418124233 387133163 /nfs/dbraw/zinc/13/31/63/387133163.db2.gz MCXSMBUQNWJVFI-IJLUTSLNSA-N 1 0 231.343 2.373 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404535505 387209302 /nfs/dbraw/zinc/20/93/02/387209302.db2.gz CGNUYDWWEJZTQL-VHSXEESVSA-N 1 0 236.290 2.210 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCCCC[NH+](C)C ZINC000424654050 387237487 /nfs/dbraw/zinc/23/74/87/387237487.db2.gz HPVHAZFKCKREFH-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC[C@H]1CCOC1 ZINC000230162383 387237923 /nfs/dbraw/zinc/23/79/23/387237923.db2.gz YSEZTXPOXMNSJN-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO C[C@H](C[NH+]1CCCCC1)Nc1cccnc1C#N ZINC000129925991 387241278 /nfs/dbraw/zinc/24/12/78/387241278.db2.gz NHBGYJQCYBUJPB-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCCC[C@@H]1CC ZINC000120825347 387199196 /nfs/dbraw/zinc/19/91/96/387199196.db2.gz IMKXIPIPWVGDHX-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000571937407 387199241 /nfs/dbraw/zinc/19/92/41/387199241.db2.gz VPZGSQLAEVWKED-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C[C@@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000643499181 387282416 /nfs/dbraw/zinc/28/24/16/387282416.db2.gz FKBNASHLBFIVES-YPMHNXCESA-N 1 0 246.354 2.403 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000572233824 387283236 /nfs/dbraw/zinc/28/32/36/387283236.db2.gz KHBCOKQRPTWJIK-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CCC(C)(C)C#N)C12CCC2 ZINC000459769788 387291161 /nfs/dbraw/zinc/29/11/61/387291161.db2.gz RCCFQBSNPURSNW-NWDGAFQWSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000514797773 387295257 /nfs/dbraw/zinc/29/52/57/387295257.db2.gz DIGXRNIISMGSKV-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CO[C@@](C)([C@H](C)[NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC000514856371 387298306 /nfs/dbraw/zinc/29/83/06/387298306.db2.gz FCJYNUYNZCEFBD-SCRDCRAPSA-N 1 0 249.358 2.223 20 30 BEEDRO C[C@@H]([NH2+]CCCCCO)c1ccc(C#N)cc1 ZINC000051020915 387358074 /nfs/dbraw/zinc/35/80/74/387358074.db2.gz RKSXTZCKKRZGME-GFCCVEGCSA-N 1 0 232.327 2.371 20 30 BEEDRO C=CCOc1ccc(C[N@@H+](CC)[C@@H](C)CO)cc1 ZINC000354431096 387374837 /nfs/dbraw/zinc/37/48/37/387374837.db2.gz MTYDLORFRRFQRN-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO CCC1(C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000191294036 387375603 /nfs/dbraw/zinc/37/56/03/387375603.db2.gz DKLLLKPIBATAOC-UHFFFAOYSA-N 1 0 217.316 2.177 20 30 BEEDRO C=CCC[C@H](CC)N[C@H]1C[NH2+]CCC1(F)F ZINC000423480174 387327358 /nfs/dbraw/zinc/32/73/58/387327358.db2.gz PCEBQCLGDDUAGR-QWRGUYRKSA-N 1 0 232.318 2.318 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](CCCO)C1 ZINC000572334271 387329144 /nfs/dbraw/zinc/32/91/44/387329144.db2.gz KPVKLPYGQNNZFX-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C#CC[N@H+](CCC[NH+]1CCCC1)C1CCCC1 ZINC000162242972 387335255 /nfs/dbraw/zinc/33/52/55/387335255.db2.gz PAGJMYGHQUHRFC-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C=CCC[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC000423490113 387336220 /nfs/dbraw/zinc/33/62/20/387336220.db2.gz XJBQZTCYBAVYKN-VXGBXAGGSA-N 1 0 244.329 2.318 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H](CN)C2CCCC2)C1 ZINC000423503979 387342547 /nfs/dbraw/zinc/34/25/47/387342547.db2.gz NGFJVHHNRQIVRN-XBFCOCLRSA-N 1 0 235.375 2.176 20 30 BEEDRO C=C(C)C[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000336528806 387353695 /nfs/dbraw/zinc/35/36/95/387353695.db2.gz VKZZSVPWEKVBND-CYBMUJFWSA-N 1 0 209.333 2.311 20 30 BEEDRO C=C(C)C[N@H+](CC)CCn1ccnc1C ZINC000270654108 387435127 /nfs/dbraw/zinc/43/51/27/387435127.db2.gz MRHUKDNZZBHCLR-UHFFFAOYSA-N 1 0 207.321 2.090 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)OCc1ccccc1 ZINC000271884579 387448829 /nfs/dbraw/zinc/44/88/29/387448829.db2.gz AIPUPKMDYBVSLG-UHFFFAOYSA-N 1 0 245.322 2.075 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000273427940 387457287 /nfs/dbraw/zinc/45/72/87/387457287.db2.gz KOXOMRVHTVBBGB-ZWNOBZJWSA-N 1 0 248.301 2.285 20 30 BEEDRO Cn1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1C#N ZINC000191369081 387385670 /nfs/dbraw/zinc/38/56/70/387385670.db2.gz JDSBSBIJEYTQCN-CHWSQXEVSA-N 1 0 229.327 2.129 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(OC(F)F)cc1 ZINC000263816391 387389071 /nfs/dbraw/zinc/38/90/71/387389071.db2.gz KWHOAQJSYAXFBN-UHFFFAOYSA-N 1 0 225.238 2.353 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cccc(OC)c1 ZINC000265978369 387400530 /nfs/dbraw/zinc/40/05/30/387400530.db2.gz DXZZMEWXEJRWAV-UHFFFAOYSA-N 1 0 203.285 2.150 20 30 BEEDRO C#CCN(CC)Cc1cc(-c2ccco2)on1 ZINC000267367389 387409851 /nfs/dbraw/zinc/40/98/51/387409851.db2.gz XOLYBLNXDAYHRD-UHFFFAOYSA-N 1 0 230.267 2.390 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000273505943 387460859 /nfs/dbraw/zinc/46/08/59/387460859.db2.gz WCOOUTHNFBJVBP-BXUZGUMPSA-N 1 0 237.318 2.456 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000424768722 387411792 /nfs/dbraw/zinc/41/17/92/387411792.db2.gz XSKAHWTYTCOESG-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[N@@H+](CC#Cc1ccc(F)cc1)CCOC ZINC000269564192 387421821 /nfs/dbraw/zinc/42/18/21/387421821.db2.gz JYDMIAQTCIGUQQ-UHFFFAOYSA-N 1 0 235.302 2.146 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCC[C@@H]1O ZINC000270132267 387497302 /nfs/dbraw/zinc/49/73/02/387497302.db2.gz OSOGVGVIUIGYFC-GJZGRUSLSA-N 1 0 244.338 2.151 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000192790210 387502144 /nfs/dbraw/zinc/50/21/44/387502144.db2.gz LBHQGPUMJWDSIK-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](C#N)C2)cnn1C ZINC000192660015 387521752 /nfs/dbraw/zinc/52/17/52/387521752.db2.gz MMAMCVNGSCIKLX-DRZSPHRISA-N 1 0 246.358 2.462 20 30 BEEDRO C=C[C@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527191510 387524527 /nfs/dbraw/zinc/52/45/27/387524527.db2.gz ADUMPSROUPFHKA-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCN(C)Cc1ccn(C(CC)CC)n1 ZINC000276916607 387525797 /nfs/dbraw/zinc/52/57/97/387525797.db2.gz GLYPYROMBJVRSJ-UHFFFAOYSA-N 1 0 219.332 2.309 20 30 BEEDRO C=CCC[C@H]([NH2+]CCNC1CC1)C1CC1 ZINC000643507242 387475247 /nfs/dbraw/zinc/47/52/47/387475247.db2.gz WZTSJNVJHBYUET-ZDUSSCGKSA-N 1 0 208.349 2.073 20 30 BEEDRO C=CCCCC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000274415342 387476657 /nfs/dbraw/zinc/47/66/57/387476657.db2.gz HUDBBHYTJALTAV-CQSZACIVSA-N 1 0 246.354 2.029 20 30 BEEDRO Cc1cc(C)cc(NC(=O)[C@H]([NH3+])CCCC#N)c1 ZINC000424077380 387480411 /nfs/dbraw/zinc/48/04/11/387480411.db2.gz NXIPIGASDUADDX-CYBMUJFWSA-N 1 0 245.326 2.263 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCNC1CC1 ZINC000643507689 387480566 /nfs/dbraw/zinc/48/05/66/387480566.db2.gz MSJQPUTWNJTZPR-LBPRGKRZSA-N 1 0 210.365 2.463 20 30 BEEDRO CC[C@@H](C)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292125413 387489463 /nfs/dbraw/zinc/48/94/63/387489463.db2.gz IGNFIBIRSXAXOJ-YPMHNXCESA-N 1 0 245.326 2.205 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1F)C1(CO)CCC1 ZINC000292151776 387491924 /nfs/dbraw/zinc/49/19/24/387491924.db2.gz NOGSXFISLGNBEW-UHFFFAOYSA-N 1 0 248.301 2.044 20 30 BEEDRO CN(CC[NH+](C)C)c1cccc(Cl)c1C#N ZINC000104346738 387492230 /nfs/dbraw/zinc/49/22/30/387492230.db2.gz OOLJWWVONHRWKW-UHFFFAOYSA-N 1 0 237.734 2.209 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000429936959 387600171 /nfs/dbraw/zinc/60/01/71/387600171.db2.gz PUBMNCQSTGFWHL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCCC#N ZINC000528766130 387621009 /nfs/dbraw/zinc/62/10/09/387621009.db2.gz JKPSCQNBJFJKPM-SECBINFHSA-N 1 0 202.248 2.410 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C1CN(C(C)(C)C)C1 ZINC001172492241 974839584 /nfs/dbraw/zinc/83/95/84/974839584.db2.gz LMQPRCLWLFRFKS-NSHDSACASA-N 1 0 223.364 2.141 20 30 BEEDRO OCC[C@@H]1CCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000426247518 387551027 /nfs/dbraw/zinc/55/10/27/387551027.db2.gz DBYJASRIPVJZRT-HNNXBMFYSA-N 1 0 247.313 2.024 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)CC(C)(C)COC ZINC000426397070 387564560 /nfs/dbraw/zinc/56/45/60/387564560.db2.gz ROZNQKLFOQKDGT-NSHDSACASA-N 1 0 212.337 2.141 20 30 BEEDRO C=C(C)C[N@H+](Cc1ccccc1)C[C@@H](O)COC ZINC000279363205 387565311 /nfs/dbraw/zinc/56/53/11/387565311.db2.gz RDOLCQKCPNLJRV-OAHLLOKOSA-N 1 0 249.354 2.072 20 30 BEEDRO N#Cc1cnc2ccccc2c1NCCCC[NH3+] ZINC000037714738 387565483 /nfs/dbraw/zinc/56/54/83/387565483.db2.gz MFKABODPAWCCRW-UHFFFAOYSA-N 1 0 240.310 2.257 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)n(C)c1=O ZINC000279542791 387566996 /nfs/dbraw/zinc/56/69/96/387566996.db2.gz QFZWAYQNCVWHCM-WCQYABFASA-N 1 0 248.370 2.384 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccncc1 ZINC000424120381 387576787 /nfs/dbraw/zinc/57/67/87/387576787.db2.gz GZFKATXWCRPAOG-NTZNESFSSA-N 1 0 215.300 2.424 20 30 BEEDRO Cc1cc(CC[NH2+]Cc2ccc(C#N)s2)on1 ZINC000353087399 387636811 /nfs/dbraw/zinc/63/68/11/387636811.db2.gz KNMPZNKOKGFFCT-UHFFFAOYSA-N 1 0 247.323 2.249 20 30 BEEDRO C=CC[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000452000354 387695168 /nfs/dbraw/zinc/69/51/68/387695168.db2.gz YVCPFWXYHMKLQQ-KBPBESRZSA-N 1 0 245.322 2.061 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000293849893 387659641 /nfs/dbraw/zinc/65/96/41/387659641.db2.gz UBEZUHDIDMARFA-ZDUSSCGKSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](CO)(COC)C1 ZINC000451939912 387684474 /nfs/dbraw/zinc/68/44/74/387684474.db2.gz WXRDCLHPQWWJIE-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452123489 387747680 /nfs/dbraw/zinc/74/76/80/387747680.db2.gz PSWDJQMTKNPJJD-GFCCVEGCSA-N 1 0 224.348 2.021 20 30 BEEDRO Cc1nn(C)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000441363313 387750998 /nfs/dbraw/zinc/75/09/98/387750998.db2.gz YYGWECZNIDWFAP-UHFFFAOYSA-N 1 0 246.358 2.148 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631182466 387702990 /nfs/dbraw/zinc/70/29/90/387702990.db2.gz ZNHSWQGGBAUNQO-UHFFFAOYSA-N 1 0 220.316 2.479 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C1CCN(C)CC1 ZINC000527738825 387704750 /nfs/dbraw/zinc/70/47/50/387704750.db2.gz XMGSJVXGIRYPTH-UHFFFAOYSA-N 1 0 210.365 2.273 20 30 BEEDRO C=CCC[N@@H+](CCO)Cc1cccc(OCC)c1 ZINC000452048115 387714232 /nfs/dbraw/zinc/71/42/32/387714232.db2.gz OQJMSWLPTOXARQ-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@H](COC)CC1 ZINC000452109538 387738621 /nfs/dbraw/zinc/73/86/21/387738621.db2.gz WRWQZFOMAUHDPD-AWEZNQCLSA-N 1 0 241.375 2.328 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000452110420 387740158 /nfs/dbraw/zinc/74/01/58/387740158.db2.gz YXVFDBHGNONFLU-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)[C@@H]1CC12CC2 ZINC000527905758 387762605 /nfs/dbraw/zinc/76/26/05/387762605.db2.gz RMLNNTHHUQXBCO-YFKTTZPYSA-N 1 0 207.317 2.108 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1CC12CC2 ZINC000527906257 387762832 /nfs/dbraw/zinc/76/28/32/387762832.db2.gz WEQRUYCUQAQIEG-LPWJVIDDSA-N 1 0 221.344 2.498 20 30 BEEDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000294158461 387769451 /nfs/dbraw/zinc/76/94/51/387769451.db2.gz IDSNXEBTVPLVMU-HNNXBMFYSA-N 1 0 244.338 2.417 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000052396196 387804413 /nfs/dbraw/zinc/80/44/13/387804413.db2.gz ZVRVRBKWGXAQTP-FZMZJTMJSA-N 1 0 214.312 2.293 20 30 BEEDRO CN(C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000442634959 387809666 /nfs/dbraw/zinc/80/96/66/387809666.db2.gz ICUGZIALGNDVSI-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO CC(C)[NH+](CCN[C@H]1CC[C@H](C#N)C1)C(C)C ZINC000442634359 387809835 /nfs/dbraw/zinc/80/98/35/387809835.db2.gz MNHDVFWMLNPHLO-KBPBESRZSA-N 1 0 237.391 2.387 20 30 BEEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000528004321 387809970 /nfs/dbraw/zinc/80/99/70/387809970.db2.gz FADZOTYJPLSJKE-LREJFELKSA-N 1 0 222.332 2.080 20 30 BEEDRO CC(C)[NH+](CCN[C@@H]1CC[C@@H](C#N)C1)C(C)C ZINC000442634365 387811028 /nfs/dbraw/zinc/81/10/28/387811028.db2.gz MNHDVFWMLNPHLO-ZIAGYGMSSA-N 1 0 237.391 2.387 20 30 BEEDRO CCOc1ncccc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442719686 387828712 /nfs/dbraw/zinc/82/87/12/387828712.db2.gz RYRKRWZMKPCYCH-AAEUAGOBSA-N 1 0 245.326 2.262 20 30 BEEDRO CC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)N1CCCC1 ZINC000442714874 387828961 /nfs/dbraw/zinc/82/89/61/387828961.db2.gz LVIWWDGXTQISRS-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1cc(C#N)ccc1F ZINC000294865747 387831865 /nfs/dbraw/zinc/83/18/65/387831865.db2.gz UBINDZCHOGPSPV-CYBMUJFWSA-N 1 0 248.301 2.354 20 30 BEEDRO C[C@@H](CCCO)C[NH2+]Cc1ccc(C#N)s1 ZINC000294853227 387831965 /nfs/dbraw/zinc/83/19/65/387831965.db2.gz SFMFLVLLKDDPTF-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C[C@H]([N@H+](C)Cc1ccccc1C#N)C(C)(C)O ZINC000295138724 387835219 /nfs/dbraw/zinc/83/52/19/387835219.db2.gz KSLVNDIDVIFPHT-NSHDSACASA-N 1 0 232.327 2.149 20 30 BEEDRO CC(C)Cn1ccnc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442778119 387836845 /nfs/dbraw/zinc/83/68/45/387836845.db2.gz FPNDNWSUDJWPJW-OLZOCXBDSA-N 1 0 246.358 2.321 20 30 BEEDRO CCN1CCCC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442775671 387837086 /nfs/dbraw/zinc/83/70/86/387837086.db2.gz AXZLCLWFKJNRQO-MELADBBJSA-N 1 0 235.375 2.143 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000442777546 387837378 /nfs/dbraw/zinc/83/73/78/387837378.db2.gz DHQIBWUMXPWFKD-FPMFFAJLSA-N 1 0 230.311 2.002 20 30 BEEDRO CO[C@H]1CC[N@H+](Cc2ccc(C#N)o2)CC1(C)C ZINC000295092933 387837660 /nfs/dbraw/zinc/83/76/60/387837660.db2.gz UBURABJZVGIXMV-ZDUSSCGKSA-N 1 0 248.326 2.398 20 30 BEEDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442782952 387839039 /nfs/dbraw/zinc/83/90/39/387839039.db2.gz PEPPMYLQEMKHJI-BARDWOONSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000442786805 387839245 /nfs/dbraw/zinc/83/92/45/387839245.db2.gz CFFAZICEAAONSZ-QWHCGFSZSA-N 1 0 230.311 2.217 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442779237 387839471 /nfs/dbraw/zinc/83/94/71/387839471.db2.gz LORKNPFCCVVFCG-WDEREUQCSA-N 1 0 238.331 2.000 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCc2ccc(O)cc2)C1 ZINC000442786801 387839912 /nfs/dbraw/zinc/83/99/12/387839912.db2.gz CFFAZICEAAONSZ-OLZOCXBDSA-N 1 0 230.311 2.217 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000442785949 387840129 /nfs/dbraw/zinc/84/01/29/387840129.db2.gz WLTPOTHJAAPORC-ZNMIVQPWSA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOCc2ccccc2)C1 ZINC000442792791 387840715 /nfs/dbraw/zinc/84/07/15/387840715.db2.gz QXZQUEWMYAMZJV-LSDHHAIUSA-N 1 0 244.338 2.485 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000442792975 387841617 /nfs/dbraw/zinc/84/16/17/387841617.db2.gz AILOPUUSGWVHHE-OUCADQQQSA-N 1 0 238.375 2.140 20 30 BEEDRO Cc1nccn1CCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442796869 387841827 /nfs/dbraw/zinc/84/18/27/387841827.db2.gz WHNRGKFYRSQLBQ-KGLIPLIRSA-N 1 0 246.358 2.254 20 30 BEEDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442789934 387841952 /nfs/dbraw/zinc/84/19/52/387841952.db2.gz FMKYDTXYTJVNRK-MJBXVCDLSA-N 1 0 238.375 2.455 20 30 BEEDRO CC(C)CC[C@](C)(O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442789930 387842464 /nfs/dbraw/zinc/84/24/64/387842464.db2.gz FMKYDTXYTJVNRK-IHRRRGAJSA-N 1 0 238.375 2.455 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000328065966 387847070 /nfs/dbraw/zinc/84/70/70/387847070.db2.gz COOTUUOUBHKODL-ZIAGYGMSSA-N 1 0 222.376 2.110 20 30 BEEDRO CCOCCC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442818586 387847003 /nfs/dbraw/zinc/84/70/03/387847003.db2.gz OGAAICIKHURCBY-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C3CC3)C2)C1 ZINC000442832378 387847774 /nfs/dbraw/zinc/84/77/74/387847774.db2.gz DCEZMAVQTNAAKV-VZZFWQQMSA-N 1 0 234.343 2.226 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCc2ccccn2)C1 ZINC000442843664 387849848 /nfs/dbraw/zinc/84/98/48/387849848.db2.gz DMMBXBMZGJJBKL-GXTWGEPZSA-N 1 0 229.327 2.296 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000442869953 387852716 /nfs/dbraw/zinc/85/27/16/387852716.db2.gz BZBPHYJOVYHMRI-VXGBXAGGSA-N 1 0 235.327 2.227 20 30 BEEDRO CC#CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000433053256 387857216 /nfs/dbraw/zinc/85/72/16/387857216.db2.gz OKIBUVNEAUIOBY-UHFFFAOYSA-N 1 0 243.350 2.036 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000424174486 387874912 /nfs/dbraw/zinc/87/49/12/387874912.db2.gz OHRBHUDPKOZAOM-KBPBESRZSA-N 1 0 249.358 2.145 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000424168789 387859885 /nfs/dbraw/zinc/85/98/85/387859885.db2.gz GSNUICPXJZUQPC-VOAKCMCISA-N 1 0 209.333 2.356 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000193719047 387861277 /nfs/dbraw/zinc/86/12/77/387861277.db2.gz CJYHGNFLMGVSDL-CQSZACIVSA-N 1 0 241.375 2.448 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)nn1 ZINC000424171016 387862636 /nfs/dbraw/zinc/86/26/36/387862636.db2.gz LACBQLWYJUXUFQ-CHWSQXEVSA-N 1 0 248.374 2.380 20 30 BEEDRO CC(C)O[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000528006010 387819781 /nfs/dbraw/zinc/81/97/81/387819781.db2.gz MEHRJQLDLSLPFS-LPWJVIDDSA-N 1 0 222.332 2.224 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000194868127 387897654 /nfs/dbraw/zinc/89/76/54/387897654.db2.gz TWVFGRRRGNSHBC-ZDUSSCGKSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643538732 387877315 /nfs/dbraw/zinc/87/73/15/387877315.db2.gz TZLVDHBJAJXSJJ-AVGNSLFASA-N 1 0 228.355 2.411 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000645756441 387886116 /nfs/dbraw/zinc/88/61/16/387886116.db2.gz YVISZFKBDCUMQM-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H](Nc1ccc(C#N)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000050164064 387904428 /nfs/dbraw/zinc/90/44/28/387904428.db2.gz JDZWBXQUDUYWNL-ZYHUDNBSSA-N 1 0 247.317 2.497 20 30 BEEDRO C=C(CC)C[NH2+][C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000444799358 387932912 /nfs/dbraw/zinc/93/29/12/387932912.db2.gz HVVXZDVPVKGCNN-TZMCWYRMSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCCC[C@H](C)[N@H+](C)CC1(O)CCOCC1 ZINC000444750888 387922107 /nfs/dbraw/zinc/92/21/07/387922107.db2.gz LLZVWCXSLAHHHI-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C2(CO)CCC2)c1 ZINC000178640533 387925749 /nfs/dbraw/zinc/92/57/49/387925749.db2.gz QIHQPZYNOPZEQW-UHFFFAOYSA-N 1 0 247.338 2.256 20 30 BEEDRO C=CCCCC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000178880066 387926981 /nfs/dbraw/zinc/92/69/81/387926981.db2.gz KCYBIQWLCYZHHV-ZDUSSCGKSA-N 1 0 232.327 2.159 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1 ZINC000444770941 387927088 /nfs/dbraw/zinc/92/70/88/387927088.db2.gz MSCSLZMQUISOOZ-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO CCC[C@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000226250785 387952631 /nfs/dbraw/zinc/95/26/31/387952631.db2.gz SUQDOJJYOVJYBU-AWEZNQCLSA-N 1 0 232.327 2.199 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](CCCC)COC ZINC000424293792 387955241 /nfs/dbraw/zinc/95/52/41/387955241.db2.gz JJBHYOXGCJPUFE-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1ccc(F)cn1 ZINC000321052825 387939829 /nfs/dbraw/zinc/93/98/29/387939829.db2.gz WCNCKSCJMGXBLY-ZYHUDNBSSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000321085948 387946210 /nfs/dbraw/zinc/94/62/10/387946210.db2.gz CKIXBVLRYLGBMU-CQSZACIVSA-N 1 0 249.354 2.426 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)C1CCCC1 ZINC000321096682 387947245 /nfs/dbraw/zinc/94/72/45/387947245.db2.gz LHBTVSNTJHGKFX-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)C1CCCC1 ZINC000321096059 387947307 /nfs/dbraw/zinc/94/73/07/387947307.db2.gz LHBTVSNTJHGKFX-AAEUAGOBSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CC#N)c1cnccc1N ZINC000423170481 387958164 /nfs/dbraw/zinc/95/81/64/387958164.db2.gz MEACXMVABMZHFP-SNVBAGLBSA-N 1 0 232.331 2.085 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)nn1 ZINC000424299028 387958252 /nfs/dbraw/zinc/95/82/52/387958252.db2.gz UQBCXVNXRITIRD-CHWSQXEVSA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)nn1 ZINC000424299036 387958398 /nfs/dbraw/zinc/95/83/98/387958398.db2.gz UQBCXVNXRITIRD-STQMWFEESA-N 1 0 248.374 2.378 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCCC[C@@H]2C)nn1 ZINC000424298534 387959011 /nfs/dbraw/zinc/95/90/11/387959011.db2.gz SOUUSCSYVFETET-AAEUAGOBSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H](C)CCCC)nn1 ZINC000424298654 387959068 /nfs/dbraw/zinc/95/90/68/387959068.db2.gz SVRBOAZVHGYXRX-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H](C)C2CCCC2)nn1 ZINC000424297026 387959271 /nfs/dbraw/zinc/95/92/71/387959271.db2.gz PPEZJYGQKJHIHN-LLVKDONJSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCn1cc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)nn1 ZINC000424301000 387960681 /nfs/dbraw/zinc/96/06/81/387960681.db2.gz YZMHSHNDLSIVRM-KGLIPLIRSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1nccc(OC)n1)C1CC1 ZINC000424306648 387964567 /nfs/dbraw/zinc/96/45/67/387964567.db2.gz IZSFTVZGBJIZDQ-LBPRGKRZSA-N 1 0 247.342 2.320 20 30 BEEDRO CC(C)CC[N@H+](CCC#N)CC[C@@H](C)O ZINC000438976933 387967101 /nfs/dbraw/zinc/96/71/01/387967101.db2.gz JMOPANRZKKTILI-GFCCVEGCSA-N 1 0 212.337 2.019 20 30 BEEDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccn(C)n1 ZINC000424315700 387967443 /nfs/dbraw/zinc/96/74/43/387967443.db2.gz AJSLRXLNDNRLCF-TUAOUCFPSA-N 1 0 232.331 2.153 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424318702 387967954 /nfs/dbraw/zinc/96/79/54/387967954.db2.gz DHGKPBANVINFNY-FPMFFAJLSA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C#N)C2)nn1C ZINC000424319076 387969465 /nfs/dbraw/zinc/96/94/65/387969465.db2.gz DLWFVVWVDYRDBS-GRYCIOLGSA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000194360125 387980036 /nfs/dbraw/zinc/98/00/36/387980036.db2.gz LQLNPQPANUQZLV-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[N@H+]1CCC[C@H]1C(=O)OC ZINC000194359489 387980871 /nfs/dbraw/zinc/98/08/71/387980871.db2.gz DARCFJFWSAKAKH-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C1 ZINC000424337235 387980866 /nfs/dbraw/zinc/98/08/66/387980866.db2.gz ZFSSSZOGHLMGST-FOUMNBMASA-N 1 0 204.317 2.457 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCN(C)C(=O)C1 ZINC000424329957 387975900 /nfs/dbraw/zinc/97/59/00/387975900.db2.gz RDTOKBSDJUXRBZ-XQQFMLRXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1CCCNC1)C1CC1 ZINC000423192937 387977300 /nfs/dbraw/zinc/97/73/00/387977300.db2.gz QIODBAYCVPYMDL-CHWSQXEVSA-N 1 0 208.349 2.073 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CCCCC#N)C12CCC2 ZINC000453112052 387987828 /nfs/dbraw/zinc/98/78/28/387987828.db2.gz SOJDKJBLHGYONJ-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H]1COc2ccc(OC)cc2C1 ZINC000453125818 387991043 /nfs/dbraw/zinc/99/10/43/387991043.db2.gz APKPRPMRDNDXFM-CMPLNLGQSA-N 1 0 233.311 2.163 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245949514 387995461 /nfs/dbraw/zinc/99/54/61/387995461.db2.gz WGGHJDGVTQTYCU-BFHYXJOUSA-N 1 0 233.355 2.337 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000424352013 387985828 /nfs/dbraw/zinc/98/58/28/387985828.db2.gz NRWXTMLXILHANW-NAWOPXAZSA-N 1 0 204.317 2.457 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C(=O)NCC)C(C)C ZINC000646236155 387986371 /nfs/dbraw/zinc/98/63/71/387986371.db2.gz WIAFNPZLVXLKAJ-AGIUHOORSA-N 1 0 240.391 2.337 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C(=O)NCC)C(C)C ZINC000646236156 387986419 /nfs/dbraw/zinc/98/64/19/387986419.db2.gz WIAFNPZLVXLKAJ-UPJWGTAASA-N 1 0 240.391 2.337 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C12CCC2 ZINC000453191821 388006418 /nfs/dbraw/zinc/00/64/18/388006418.db2.gz FUMXKDYUTQYMHY-ZDEQEGDKSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000453197462 388008589 /nfs/dbraw/zinc/00/85/89/388008589.db2.gz NEYUOGSRFOBWPQ-LBPRGKRZSA-N 1 0 219.332 2.354 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H](C)Cc1cnccn1 ZINC000453217567 388012563 /nfs/dbraw/zinc/01/25/63/388012563.db2.gz PGDJCNMJZLQKHX-NEPJUHHUSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)Cc1cnccn1 ZINC000453217571 388012695 /nfs/dbraw/zinc/01/26/95/388012695.db2.gz PGDJCNMJZLQKHX-VXGBXAGGSA-N 1 0 219.332 2.352 20 30 BEEDRO C=C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439781011 388020661 /nfs/dbraw/zinc/02/06/61/388020661.db2.gz IPXWNNLQHKBDCV-AAEUAGOBSA-N 1 0 236.359 2.084 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000453291694 388035429 /nfs/dbraw/zinc/03/54/29/388035429.db2.gz NFOVZUWWCQZELT-WOPDTQHZSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@@H]1[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCN1C ZINC000446763561 388037623 /nfs/dbraw/zinc/03/76/23/388037623.db2.gz WXDKMNVASQNYLG-AAVRWANBSA-N 1 0 235.375 2.141 20 30 BEEDRO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)(C)O ZINC000446802453 388039141 /nfs/dbraw/zinc/03/91/41/388039141.db2.gz GDDZLFDFRZRGFA-AVGNSLFASA-N 1 0 238.375 2.454 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000446820922 388039271 /nfs/dbraw/zinc/03/92/71/388039271.db2.gz JGEYMLNCXCEMLP-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)c1ccccc1 ZINC000159772466 388029744 /nfs/dbraw/zinc/02/97/44/388029744.db2.gz YPWHQMHIALRMLA-CYBMUJFWSA-N 1 0 205.301 2.276 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H](N)c2ccccc2)C1 ZINC000423248427 388031336 /nfs/dbraw/zinc/03/13/36/388031336.db2.gz RTVZPVKQHIOONB-SNPRPXQTSA-N 1 0 243.354 2.358 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cnc(C)nc1C ZINC000453347096 388053637 /nfs/dbraw/zinc/05/36/37/388053637.db2.gz HJCSSHARJCOVSV-HONMWMINSA-N 1 0 247.342 2.088 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CC)c1nccn1C ZINC000453350322 388055565 /nfs/dbraw/zinc/05/55/65/388055565.db2.gz HWJNOODVKZJKRT-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000453359091 388057706 /nfs/dbraw/zinc/05/77/06/388057706.db2.gz NJYQJLWZEXRQCV-BNOWGMLFSA-N 1 0 232.327 2.384 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000453364905 388059952 /nfs/dbraw/zinc/05/99/52/388059952.db2.gz QLRAZUOSIMPBRL-YUTCNCBUSA-N 1 0 249.358 2.458 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000453364901 388060043 /nfs/dbraw/zinc/06/00/43/388060043.db2.gz QLRAZUOSIMPBRL-BNOWGMLFSA-N 1 0 249.358 2.458 20 30 BEEDRO C=CCC1(C[NH2+][C@H](C)CC(=O)NC)CCCC1 ZINC000453369058 388061398 /nfs/dbraw/zinc/06/13/98/388061398.db2.gz MYWGKCLMQHAMPF-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000453373811 388063147 /nfs/dbraw/zinc/06/31/47/388063147.db2.gz WVKAWBPMZBSIKF-RQJABVFESA-N 1 0 239.359 2.125 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCS(=O)(=O)C(C)C ZINC000160497998 388070758 /nfs/dbraw/zinc/07/07/58/388070758.db2.gz XZUVFRQDSPPKPD-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000453437816 388082327 /nfs/dbraw/zinc/08/23/27/388082327.db2.gz VFFYKDVXTWYKNW-OCCSQVGLSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCNC(=O)C[NH2+]CC[C@H](C)c1ccccc1 ZINC000194548823 388087218 /nfs/dbraw/zinc/08/72/18/388087218.db2.gz FWWCXOXXCFWKAP-ZDUSSCGKSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ncc(Cl)s1 ZINC000336661587 388106562 /nfs/dbraw/zinc/10/65/62/388106562.db2.gz CCHBETVCHPKXSA-MRVPVSSYSA-N 1 0 246.763 2.071 20 30 BEEDRO CCn1ccnc1C[NH2+]C1CCC(C)(C#N)CC1 ZINC000453320577 388045342 /nfs/dbraw/zinc/04/53/42/388045342.db2.gz NIVRPTKOIWBPFU-UHFFFAOYSA-N 1 0 246.358 2.465 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1cccc(C)c1 ZINC000449236140 388160010 /nfs/dbraw/zinc/16/00/10/388160010.db2.gz IUJRTJDASHEJMJ-AWEZNQCLSA-N 1 0 219.328 2.064 20 30 BEEDRO C[C@H](O)C[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449233461 388160025 /nfs/dbraw/zinc/16/00/25/388160025.db2.gz LRCNJEUZUXDOAM-ZSVAQUKISA-N 1 0 224.348 2.208 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCC[C@@H]1C ZINC000449245415 388162008 /nfs/dbraw/zinc/16/20/08/388162008.db2.gz ASFUJONMNNCCPK-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cc2cccnc2o1 ZINC000449282333 388167523 /nfs/dbraw/zinc/16/75/23/388167523.db2.gz GOQWERFGMAGOOM-UHFFFAOYSA-N 1 0 246.310 2.462 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@]1(O)CCO[C@@H]1C ZINC000449294387 388168854 /nfs/dbraw/zinc/16/88/54/388168854.db2.gz YWAXBHXNXXJAMD-MJBXVCDLSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000449295868 388169114 /nfs/dbraw/zinc/16/91/14/388169114.db2.gz VTZPDJUIWZCVGZ-BFHYXJOUSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)NCC(F)F ZINC000449298203 388169189 /nfs/dbraw/zinc/16/91/89/388169189.db2.gz GTKKEZUMTOCPAK-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449303803 388169951 /nfs/dbraw/zinc/16/99/51/388169951.db2.gz ZAMZRSUBCWBIMU-GFCCVEGCSA-N 1 0 234.343 2.372 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCC(C)(C)C ZINC000646027610 388127515 /nfs/dbraw/zinc/12/75/15/388127515.db2.gz RZCJDKOERDYLKW-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@H](CCO)c1ccccc1F ZINC000646066774 388135840 /nfs/dbraw/zinc/13/58/40/388135840.db2.gz BMHMLOQSPOKJGZ-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)Cn1cncn1 ZINC000449099494 388141950 /nfs/dbraw/zinc/14/19/50/388141950.db2.gz NUHYTGYCTQMLAA-CHWSQXEVSA-N 1 0 236.363 2.391 20 30 BEEDRO C=CCC[N@H+]1CC2(C[C@H]1C)CCOCC2 ZINC000646096312 388142112 /nfs/dbraw/zinc/14/21/12/388142112.db2.gz MWQFQJVCJYDGSI-GFCCVEGCSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCCC(=O)NC ZINC000449104945 388143287 /nfs/dbraw/zinc/14/32/87/388143287.db2.gz XEWMKPNOAROVMP-GFCCVEGCSA-N 1 0 226.364 2.237 20 30 BEEDRO CC(C)N(C)CC[NH2+]C1CCC(C)(C#N)CC1 ZINC000449111207 388143848 /nfs/dbraw/zinc/14/38/48/388143848.db2.gz JXSDIWDFBIIJBH-UHFFFAOYSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449122464 388145304 /nfs/dbraw/zinc/14/53/04/388145304.db2.gz LOQIFIACUOBPRZ-CYBMUJFWSA-N 1 0 248.370 2.451 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449143612 388148609 /nfs/dbraw/zinc/14/86/09/388148609.db2.gz IGICWEUQHSLHFB-RJZJGCCBSA-N 1 0 238.375 2.455 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCOCC2CC2)CC1 ZINC000449149971 388149143 /nfs/dbraw/zinc/14/91/43/388149143.db2.gz YHBKNQFTRGCCDB-UHFFFAOYSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](O)[C@@H]1CCOC1 ZINC000449159903 388150342 /nfs/dbraw/zinc/15/03/42/388150342.db2.gz JOWDFGRALZBISH-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO CC#CC[N@@H+]1C[C@H](C)OC2(CCCC2)C1 ZINC000646133697 388151115 /nfs/dbraw/zinc/15/11/15/388151115.db2.gz ZDLNSCCMJWFLRA-LBPRGKRZSA-N 1 0 207.317 2.043 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H](C)OC2(CCCC2)C1 ZINC000646135436 388152513 /nfs/dbraw/zinc/15/25/13/388152513.db2.gz MKDBLUJQIRYMCR-CYBMUJFWSA-N 1 0 221.344 2.433 20 30 BEEDRO COC[C@@H]([NH2+]C1CCC(C)(C#N)CC1)C1CC1 ZINC000449188403 388155089 /nfs/dbraw/zinc/15/50/89/388155089.db2.gz LNUSIPHSTUZXNQ-ROKHWSDSSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CC[N@H+](CC)CCC(=O)Nc1ccccc1F ZINC000490779513 388253962 /nfs/dbraw/zinc/25/39/62/388253962.db2.gz XSXVESBSMDHVDR-UHFFFAOYSA-N 1 0 248.301 2.109 20 30 BEEDRO C#CC[N@@H+](CC[C@H]1CCOC1=O)C1CCCCC1 ZINC000490779251 388253993 /nfs/dbraw/zinc/25/39/93/388253993.db2.gz UJDHWDJWNSBPRN-ZDUSSCGKSA-N 1 0 249.354 2.208 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@H]1O ZINC000400290747 388257818 /nfs/dbraw/zinc/25/78/18/388257818.db2.gz NUAIIWVTPQCQOV-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO CC[C@H]1C[N@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000400290750 388257886 /nfs/dbraw/zinc/25/78/86/388257886.db2.gz NUAIIWVTPQCQOV-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCCC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000456384681 388198844 /nfs/dbraw/zinc/19/88/44/388198844.db2.gz QGJGCXVJSVHEEL-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCC[N@@H+](CCO)C1CCOCC1 ZINC000489003186 388200649 /nfs/dbraw/zinc/20/06/49/388200649.db2.gz CHKIYVNHXKRFQM-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO C[N@H+](CC(C)(C)CO)CC(C)(C)CCC#N ZINC000449424937 388201520 /nfs/dbraw/zinc/20/15/20/388201520.db2.gz PSWDXPDISAXBCW-UHFFFAOYSA-N 1 0 226.364 2.267 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449428470 388202878 /nfs/dbraw/zinc/20/28/78/388202878.db2.gz RECOCTAUJOPESO-JHJVBQTASA-N 1 0 224.348 2.209 20 30 BEEDRO C#CCN(Cc1nnc(C)s1)C1CCCC1 ZINC000490897293 388258917 /nfs/dbraw/zinc/25/89/17/388258917.db2.gz AZWBUGSPWYJAPQ-UHFFFAOYSA-N 1 0 235.356 2.224 20 30 BEEDRO CC#CCCN1CCOc2ccc(F)cc2C1 ZINC000489165811 388204956 /nfs/dbraw/zinc/20/49/56/388204956.db2.gz HKZRYXMGMCAYQX-UHFFFAOYSA-N 1 0 233.286 2.434 20 30 BEEDRO C=CCCCC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000456523739 388206137 /nfs/dbraw/zinc/20/61/37/388206137.db2.gz FUUGCDQFXFKZFH-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO CC[C@](C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)OC ZINC000449472624 388212853 /nfs/dbraw/zinc/21/28/53/388212853.db2.gz GDZKJWZJWOHMMU-FRRDWIJNSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000449480833 388215496 /nfs/dbraw/zinc/21/54/96/388215496.db2.gz ZYSBWBWIUKIYLR-AAEUAGOBSA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCCC[N@@H+](CCOC)[C@H]1CCO[C@H]1C ZINC000489467704 388215882 /nfs/dbraw/zinc/21/58/82/388215882.db2.gz VRJBZKXPTGZTNH-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO Cc1cccnc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000449491411 388217889 /nfs/dbraw/zinc/21/78/89/388217889.db2.gz GSPNKORTLYCUJE-STQMWFEESA-N 1 0 229.327 2.214 20 30 BEEDRO C=C[C@H]1CCCCN1Cc1nccn1CC ZINC000489492653 388218938 /nfs/dbraw/zinc/21/89/38/388218938.db2.gz QZDZWJKISRHGAW-LBPRGKRZSA-N 1 0 219.332 2.444 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H](O)CCOC(C)C ZINC000489500647 388220064 /nfs/dbraw/zinc/22/00/64/388220064.db2.gz SSXBLPKHDRWFJM-ZIAGYGMSSA-N 1 0 241.375 2.203 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000449519796 388221017 /nfs/dbraw/zinc/22/10/17/388221017.db2.gz NKRHZDVVTPQGKW-KXNHARMFSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncc(CC)s1 ZINC000449520479 388223651 /nfs/dbraw/zinc/22/36/51/388223651.db2.gz PTIPDXLKDVIGLC-MNOVXSKESA-N 1 0 238.356 2.139 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](COC)CC(C)C ZINC000449546669 388228791 /nfs/dbraw/zinc/22/87/91/388228791.db2.gz CZPVMBSRTNWYLB-MJBXVCDLSA-N 1 0 241.375 2.371 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(CC)nc1 ZINC000449548960 388230089 /nfs/dbraw/zinc/23/00/89/388230089.db2.gz SLPNSDYTIGKTEG-CABCVRRESA-N 1 0 246.354 2.467 20 30 BEEDRO C[C@@H]([NH2+]CCn1ccnc1)c1cccc(C#N)c1 ZINC000041119739 388234988 /nfs/dbraw/zinc/23/49/88/388234988.db2.gz BMWARLYJMNTITF-GFCCVEGCSA-N 1 0 240.310 2.106 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000449583775 388235763 /nfs/dbraw/zinc/23/57/63/388235763.db2.gz ITCZMQSLMBAZNX-VXGBXAGGSA-N 1 0 221.348 2.295 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000449593868 388239578 /nfs/dbraw/zinc/23/95/78/388239578.db2.gz WLWKYJPJGAOKLY-XDQVBPFNSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)(C#N)CCC[NH+]1CCC(C)(O)CC1 ZINC000087781347 256573208 /nfs/dbraw/zinc/57/32/08/256573208.db2.gz INUUZLYQWXDRKF-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000459421492 388243989 /nfs/dbraw/zinc/24/39/89/388243989.db2.gz ZNAXRMIDJBOKPB-IRCOFANPSA-N 1 0 229.389 2.450 20 30 BEEDRO C[C@@H](O)CN(CC(F)F)CC(C)(C)CCC#N ZINC000449625603 388245146 /nfs/dbraw/zinc/24/51/46/388245146.db2.gz BPKMEMVLJRETMI-SNVBAGLBSA-N 1 0 248.317 2.264 20 30 BEEDRO C#CC[N@H+](Cc1cnccn1)C1CCCCC1 ZINC000491267767 388281382 /nfs/dbraw/zinc/28/13/82/388281382.db2.gz VEPCZNZCNVUKQF-UHFFFAOYSA-N 1 0 229.327 2.245 20 30 BEEDRO CC#CCC[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000451556194 388281407 /nfs/dbraw/zinc/28/14/07/388281407.db2.gz KSYPZTDUHXPBOG-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(CC)nc1 ZINC000491308649 388284178 /nfs/dbraw/zinc/28/41/78/388284178.db2.gz VQXYUIZZKHUXHZ-UHFFFAOYSA-N 1 0 202.301 2.099 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000451614712 388284514 /nfs/dbraw/zinc/28/45/14/388284514.db2.gz SBTCAIIFQOLYJI-KGLIPLIRSA-N 1 0 246.285 2.130 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000491352153 388287471 /nfs/dbraw/zinc/28/74/71/388287471.db2.gz XWHURTAGIQIAHR-JTQLQIEISA-N 1 0 229.283 2.171 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000491371190 388288976 /nfs/dbraw/zinc/28/89/76/388288976.db2.gz DBDZJACKNBVIJT-NSHDSACASA-N 1 0 245.351 2.387 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)Cc1ccoc1)C(C)C ZINC000491371600 388288983 /nfs/dbraw/zinc/28/89/83/388288983.db2.gz FRVCYYYKKSIQBH-YPMHNXCESA-N 1 0 205.301 2.458 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCCC#N ZINC000451671781 388289023 /nfs/dbraw/zinc/28/90/23/388289023.db2.gz GQWVACWCTAEKEE-NEPJUHHUSA-N 1 0 208.305 2.003 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cnc(Cl)c(C)c1 ZINC000491370712 388289135 /nfs/dbraw/zinc/28/91/35/388289135.db2.gz AMFUCVFHZIYXNH-JTQLQIEISA-N 1 0 222.719 2.497 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccoc1)C(C)C ZINC000491371598 388289360 /nfs/dbraw/zinc/28/93/60/388289360.db2.gz FRVCYYYKKSIQBH-DGCLKSJQSA-N 1 0 205.301 2.458 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000451683358 388289602 /nfs/dbraw/zinc/28/96/02/388289602.db2.gz RRGSFAYRHNRWEA-MCIONIFRSA-N 1 0 239.359 2.269 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000451681097 388289688 /nfs/dbraw/zinc/28/96/88/388289688.db2.gz LGFIJFBOORBZBW-NEPJUHHUSA-N 1 0 220.316 2.003 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc(C)n1 ZINC000451686043 388289802 /nfs/dbraw/zinc/28/98/02/388289802.db2.gz ZWEWUXRSFXPQJL-KGLIPLIRSA-N 1 0 232.327 2.213 20 30 BEEDRO N#CC1(C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CCC1 ZINC000451696173 388290042 /nfs/dbraw/zinc/29/00/42/388290042.db2.gz FWHZUAWPXBYWMY-MGPQQGTHSA-N 1 0 248.370 2.163 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451719803 388291576 /nfs/dbraw/zinc/29/15/76/388291576.db2.gz XMZKUKIFALYIJU-MCIONIFRSA-N 1 0 223.360 2.436 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451720130 388291666 /nfs/dbraw/zinc/29/16/66/388291666.db2.gz XTGXVNMMUVAIHH-RDBSUJKOSA-N 1 0 236.359 2.163 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)CC1(OC)CCCCC1 ZINC000491414391 388292927 /nfs/dbraw/zinc/29/29/27/388292927.db2.gz CJJLJVHYVKBVMR-GFCCVEGCSA-N 1 0 209.333 2.289 20 30 BEEDRO CC[C@H]1C[N@H+](CC)CCN1CCC(C)(C)C#N ZINC000451746266 388293331 /nfs/dbraw/zinc/29/33/31/388293331.db2.gz YWWVUODZFQPDPZ-ZDUSSCGKSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC1(C(=O)N[C@@H](C)C[NH+](C)C)CCCC1 ZINC000451754903 388293782 /nfs/dbraw/zinc/29/37/82/388293782.db2.gz CWGFQIPRVXEXKP-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H](CCC)NC(=[NH2+])Nc1cccc(OC)c1 ZINC000491441759 388295353 /nfs/dbraw/zinc/29/53/53/388295353.db2.gz XPRPJRAYSPYJID-NSHDSACASA-N 1 0 245.326 2.433 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000451780587 388295411 /nfs/dbraw/zinc/29/54/11/388295411.db2.gz NTRXGDPOUACLPX-OLZOCXBDSA-N 1 0 243.391 2.042 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000491474346 388297198 /nfs/dbraw/zinc/29/71/98/388297198.db2.gz LXGLHGUMUQJWRO-SNVBAGLBSA-N 1 0 218.256 2.048 20 30 BEEDRO C#C[C@H](C)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000491474345 388297244 /nfs/dbraw/zinc/29/72/44/388297244.db2.gz LXGLHGUMUQJWRO-JTQLQIEISA-N 1 0 218.256 2.048 20 30 BEEDRO C#C[C@H](C)N(C)CC(=O)c1cc(C)n(CC)c1C ZINC000491475154 388297256 /nfs/dbraw/zinc/29/72/56/388297256.db2.gz UHSANIXXOTZVSA-NSHDSACASA-N 1 0 246.354 2.261 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000451809211 388298062 /nfs/dbraw/zinc/29/80/62/388298062.db2.gz ILVJXDLZGHMGOA-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccc(F)cc1C)C(C)C ZINC000491484210 388298147 /nfs/dbraw/zinc/29/81/47/388298147.db2.gz HXKHOYYRXDUERN-GJZGRUSLSA-N 1 0 249.329 2.415 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1C[C@@H](OC)C12CCC2 ZINC000451844855 388299439 /nfs/dbraw/zinc/29/94/39/388299439.db2.gz WMHDXKGIUJBTND-VXGBXAGGSA-N 1 0 209.333 2.452 20 30 BEEDRO C=C(C)CCN1CC[NH+]([C@@H](C)CC)CC1 ZINC000451847759 388300527 /nfs/dbraw/zinc/30/05/27/388300527.db2.gz TUIJALWGXKASTH-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C#CC[N@@H+](C)CCCN(C)c1ccccc1 ZINC000491554234 388303336 /nfs/dbraw/zinc/30/33/36/388303336.db2.gz HIJKQOWLFQPNAU-UHFFFAOYSA-N 1 0 216.328 2.078 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000491621436 388305377 /nfs/dbraw/zinc/30/53/77/388305377.db2.gz DNOCDAFMTXYATO-GFCCVEGCSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])NCCc1ccccc1 ZINC000491638053 388307428 /nfs/dbraw/zinc/30/74/28/388307428.db2.gz XRVBSUSMJPXYGT-CQSZACIVSA-N 1 0 243.354 2.145 20 30 BEEDRO C#C[C@H]([NH2+]CC1=CCCOC1)c1ccc(F)cc1 ZINC000491699426 388312239 /nfs/dbraw/zinc/31/22/39/388312239.db2.gz NJAGZDWAZIIFFQ-HNNXBMFYSA-N 1 0 245.297 2.436 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000491710178 388313863 /nfs/dbraw/zinc/31/38/63/388313863.db2.gz SWAITHJVRZLMQK-PNESKVBLSA-N 1 0 204.317 2.460 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(OC(C)=O)cc1 ZINC000491713431 388313999 /nfs/dbraw/zinc/31/39/99/388313999.db2.gz CKMMDKFEHUUASV-NSHDSACASA-N 1 0 231.295 2.065 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](CC(F)(F)F)C1 ZINC000491722971 388314504 /nfs/dbraw/zinc/31/45/04/388314504.db2.gz ABSRDKREVMLFPG-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCCc1cc(CC)no1 ZINC000491724477 388314689 /nfs/dbraw/zinc/31/46/89/388314689.db2.gz GFNUNNOXORAYOE-NSHDSACASA-N 1 0 220.316 2.123 20 30 BEEDRO C#C[C@@H](NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000491724759 388314978 /nfs/dbraw/zinc/31/49/78/388314978.db2.gz AFBCQROLKPZCFM-OAHLLOKOSA-N 1 0 246.329 2.184 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2[nH]cnc2c1 ZINC000491732472 388315876 /nfs/dbraw/zinc/31/58/76/388315876.db2.gz AEJBVUAFALSEBL-JTQLQIEISA-N 1 0 213.284 2.016 20 30 BEEDRO C#CC[N@@H+](CCC1(O)CCC1)Cc1ccccc1 ZINC000491754433 388318293 /nfs/dbraw/zinc/31/82/93/388318293.db2.gz SSRSQJJQVNQWES-UHFFFAOYSA-N 1 0 243.350 2.427 20 30 BEEDRO C#C[C@H](C)N(C)CC(=O)Nc1cc(C)ccc1C ZINC000491760676 388318712 /nfs/dbraw/zinc/31/87/12/388318712.db2.gz SBZIBHNSETYBPV-ZDUSSCGKSA-N 1 0 244.338 2.195 20 30 BEEDRO C#CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C ZINC000491778401 388320151 /nfs/dbraw/zinc/32/01/51/388320151.db2.gz YKGRERHRIGZQSJ-VXGBXAGGSA-N 1 0 237.343 2.062 20 30 BEEDRO C#C[C@H](C)N(C)Cc1sccc1OC ZINC000491796246 388321276 /nfs/dbraw/zinc/32/12/76/388321276.db2.gz YSXDIUXZSFXGKV-VIFPVBQESA-N 1 0 209.314 2.210 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccc(C)cc1)C(C)C ZINC000491790672 388321321 /nfs/dbraw/zinc/32/13/21/388321321.db2.gz ZZPDQOBTWCJDOA-GJZGRUSLSA-N 1 0 231.339 2.276 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOCC1CCCC1 ZINC000491802453 388321667 /nfs/dbraw/zinc/32/16/67/388321667.db2.gz GKOYBXNKABAFKX-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[NH+]1CCC(N(C)C(=O)OCC)CC1 ZINC000491877510 388325730 /nfs/dbraw/zinc/32/57/30/388325730.db2.gz HHJPYDGFOLVQGI-UHFFFAOYSA-N 1 0 240.347 2.115 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230316420 388261199 /nfs/dbraw/zinc/26/11/99/388261199.db2.gz LTBPDCPWRRMFGW-OLZOCXBDSA-N 1 0 248.351 2.277 20 30 BEEDRO C#CC[N@H+](CC)CCCCC(=O)OC(C)(C)C ZINC000490951332 388261906 /nfs/dbraw/zinc/26/19/06/388261906.db2.gz WUNXGXQWACEZDU-UHFFFAOYSA-N 1 0 239.359 2.454 20 30 BEEDRO C[C@@]12C[N@H+](CCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451367470 388266018 /nfs/dbraw/zinc/26/60/18/388266018.db2.gz KEZLNYNEZZZGTL-VOAKCMCISA-N 1 0 202.301 2.044 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](C(F)(F)F)[C@H]1C ZINC000491037076 388266516 /nfs/dbraw/zinc/26/65/16/388266516.db2.gz BPGDAZVDBITRFP-BDAKNGLRSA-N 1 0 205.223 2.282 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)CC1CCCC1 ZINC000491166639 388274399 /nfs/dbraw/zinc/27/43/99/388274399.db2.gz TXGZHEHXCDWORM-ZDUSSCGKSA-N 1 0 223.360 2.271 20 30 BEEDRO C#CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000491210737 388277660 /nfs/dbraw/zinc/27/76/60/388277660.db2.gz YCKVQLNLLSQDPH-UHFFFAOYSA-N 1 0 247.313 2.140 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000451495626 388278021 /nfs/dbraw/zinc/27/80/21/388278021.db2.gz JUKQVRPTOMLMCE-TUAOUCFPSA-N 1 0 207.317 2.110 20 30 BEEDRO CCO[C@@H]1CC[N@H+](CC2(C#N)CC2)C[C@@H]1C ZINC000451544941 388280712 /nfs/dbraw/zinc/28/07/12/388280712.db2.gz QKYHLFJLNUIDSK-NWDGAFQWSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H]1OCC[C@H]1[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000272310345 388404180 /nfs/dbraw/zinc/40/41/80/388404180.db2.gz SXAQQNIHEMBRFA-SMDDNHRTSA-N 1 0 242.322 2.314 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)ncn2C ZINC000275998487 388345712 /nfs/dbraw/zinc/34/57/12/388345712.db2.gz OJGBSLUZQKLIAE-UHFFFAOYSA-N 1 0 215.300 2.239 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)nc1 ZINC000593974961 388345763 /nfs/dbraw/zinc/34/57/63/388345763.db2.gz GLWHZUNBUSYUQA-OCCSQVGLSA-N 1 0 227.311 2.328 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)nc1 ZINC000593974960 388346288 /nfs/dbraw/zinc/34/62/88/388346288.db2.gz GLWHZUNBUSYUQA-JSGCOSHPSA-N 1 0 227.311 2.328 20 30 BEEDRO C=CCCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276674581 388351408 /nfs/dbraw/zinc/35/14/08/388351408.db2.gz ZGUSHGHSUPXAOG-UHFFFAOYSA-N 1 0 217.316 2.343 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccccc1C#N)[C@@H]1CCOC1 ZINC000162916049 388365893 /nfs/dbraw/zinc/36/58/93/388365893.db2.gz JVNGXKTVLLQFSA-BXUZGUMPSA-N 1 0 230.311 2.073 20 30 BEEDRO C[N@H+](CCCCCO)Cc1ccc(C#N)cc1 ZINC000227876217 388372383 /nfs/dbraw/zinc/37/23/83/388372383.db2.gz UAOIXBMJEIFAIQ-UHFFFAOYSA-N 1 0 232.327 2.153 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000271326963 388382403 /nfs/dbraw/zinc/38/24/03/388382403.db2.gz FEOXGRJETIZZSS-IUODEOHRSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]1COCCC[N@@H+]1CCc1ccc(C#N)cc1 ZINC000595387135 388382756 /nfs/dbraw/zinc/38/27/56/388382756.db2.gz OYADKCZCTJABDR-ZDUSSCGKSA-N 1 0 244.338 2.212 20 30 BEEDRO CCOC1(C[NH2+]C[C@H](C#N)CCC#N)CCCC1 ZINC000519813062 256660708 /nfs/dbraw/zinc/66/07/08/256660708.db2.gz KDFHNLVSWJNRCR-ZDUSSCGKSA-N 1 0 249.358 2.369 20 30 BEEDRO COC1(CC[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000293015953 388385999 /nfs/dbraw/zinc/38/59/99/388385999.db2.gz QFXLHEKSBPJVEX-UHFFFAOYSA-N 1 0 234.299 2.200 20 30 BEEDRO C[N@H+](CCc1ccc(C#N)cc1)CC(C)(C)CO ZINC000595514534 388387690 /nfs/dbraw/zinc/38/76/90/388387690.db2.gz COXDGRGIEWBGOO-UHFFFAOYSA-N 1 0 246.354 2.051 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000237045077 388388865 /nfs/dbraw/zinc/38/88/65/388388865.db2.gz DLUBDLRXPPQILH-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCOCC[NH2+]C[C@]1(C)CCCS1 ZINC000327808145 388390600 /nfs/dbraw/zinc/39/06/00/388390600.db2.gz VXYXLUDOTXHUNI-LBPRGKRZSA-N 1 0 229.389 2.454 20 30 BEEDRO COC[C@H]([NH2+]Cc1cc(C#N)ccc1F)C1CC1 ZINC000090117290 388391350 /nfs/dbraw/zinc/39/13/50/388391350.db2.gz NVIASINSUUSMHP-AWEZNQCLSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)[C@H](C)CO ZINC000164569667 388394434 /nfs/dbraw/zinc/39/44/34/388394434.db2.gz BCIXFDWSEWLNGL-UTUOFQBUSA-N 1 0 232.327 2.226 20 30 BEEDRO Cc1cc(C)c(C#N)c(N[C@H]2CCC[NH2+][C@H]2C)n1 ZINC000229611571 388394600 /nfs/dbraw/zinc/39/46/00/388394600.db2.gz BJWBBVJGYMDBNG-AAEUAGOBSA-N 1 0 244.342 2.123 20 30 BEEDRO COC1CCC([NH2+]CC(C)(C)C#N)CC1 ZINC000164685197 388396167 /nfs/dbraw/zinc/39/61/67/388396167.db2.gz PRQOANMFATVKRB-UHFFFAOYSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000238089250 388400304 /nfs/dbraw/zinc/40/03/04/388400304.db2.gz KSUOJZZSJYOLEP-HUUCEWRRSA-N 1 0 247.338 2.254 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000520575174 256675518 /nfs/dbraw/zinc/67/55/18/256675518.db2.gz DKRPLOWVVNVXTC-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C#C[C@H]([NH2+]C1CCN(CC)CC1)C(C)(C)C ZINC000393785473 388441838 /nfs/dbraw/zinc/44/18/38/388441838.db2.gz XHDNHQCICDORRB-ZDUSSCGKSA-N 1 0 222.376 2.108 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc(C)nn1C ZINC000393873352 388445017 /nfs/dbraw/zinc/44/50/17/388445017.db2.gz BLHNTYDSGGODOY-LLVKDONJSA-N 1 0 207.321 2.173 20 30 BEEDRO N#CCc1ccc(CN2C[C@H]3CC[C@@H](C2)O3)cc1 ZINC000336390383 388457444 /nfs/dbraw/zinc/45/74/44/388457444.db2.gz NJIDOYKSJFFKBI-GASCZTMLSA-N 1 0 242.322 2.116 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000309787473 388464938 /nfs/dbraw/zinc/46/49/38/388464938.db2.gz OKYAHYOJTATLGZ-NWDGAFQWSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccc(F)c(F)c1 ZINC000649244915 388467555 /nfs/dbraw/zinc/46/75/55/388467555.db2.gz NRSSKVNSGKCNGP-CYBMUJFWSA-N 1 0 241.281 2.334 20 30 BEEDRO CCc1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)s1 ZINC000309979745 388471214 /nfs/dbraw/zinc/47/12/14/388471214.db2.gz VQENBTHYJJKEMD-VHSXEESVSA-N 1 0 235.356 2.487 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)nn(CC)c1C ZINC000310005859 388471942 /nfs/dbraw/zinc/47/19/42/388471942.db2.gz GQVHTZCTHJBHLU-GFCCVEGCSA-N 1 0 219.332 2.021 20 30 BEEDRO C=C(C)[C@@H](CO)N(C)Cc1csc(CC)n1 ZINC000649256221 388472536 /nfs/dbraw/zinc/47/25/36/388472536.db2.gz XASKSZPOGJBYRV-LLVKDONJSA-N 1 0 240.372 2.074 20 30 BEEDRO C#C[C@H](CC)[NH2+]CC1Cc2ccccc2C1 ZINC000310011821 388473353 /nfs/dbraw/zinc/47/33/53/388473353.db2.gz IVFHRAFPNRFEAB-OAHLLOKOSA-N 1 0 213.324 2.403 20 30 BEEDRO C#CC[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000177166502 388476648 /nfs/dbraw/zinc/47/66/48/388476648.db2.gz HKYHVDCJOYZXFX-UHFFFAOYSA-N 1 0 205.223 2.284 20 30 BEEDRO CC[C@H](CO)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271928300 388413051 /nfs/dbraw/zinc/41/30/51/388413051.db2.gz JWLGEGFTSUYETG-BXKDBHETSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@H]([NH2+]CC1(C)COC1)c1ccc(C#N)c(F)c1 ZINC000271972557 388417133 /nfs/dbraw/zinc/41/71/33/388417133.db2.gz UWTZTPUDRKIWRL-JTQLQIEISA-N 1 0 248.301 2.384 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443996648 388424731 /nfs/dbraw/zinc/42/47/31/388424731.db2.gz YXXXJSVGWJPLNR-UHFFFAOYSA-N 1 0 232.327 2.383 20 30 BEEDRO COC[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000307764389 388425906 /nfs/dbraw/zinc/42/59/06/388425906.db2.gz MGOUYGMPRBEGBG-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000174380330 388438814 /nfs/dbraw/zinc/43/88/14/388438814.db2.gz MHPSXJZWBQJCIJ-CYBMUJFWSA-N 1 0 236.315 2.038 20 30 BEEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000528511268 388538297 /nfs/dbraw/zinc/53/82/97/388538297.db2.gz FFABYQOYRGXBGF-KGLIPLIRSA-N 1 0 248.370 2.163 20 30 BEEDRO C[N@H+](C[C@H]1CCCC[C@H]1O)CC(C)(C)C#N ZINC000517154330 388539060 /nfs/dbraw/zinc/53/90/60/388539060.db2.gz PPZKDANJPROZLG-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](CCO)C1 ZINC000649286689 388542161 /nfs/dbraw/zinc/54/21/61/388542161.db2.gz IWZFCIRPUBATFH-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCC#N ZINC000451587684 256783058 /nfs/dbraw/zinc/78/30/58/256783058.db2.gz CDQCBUUYHWPXNL-NEPJUHHUSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCC#N)C1(CO)CCC1 ZINC000339728560 388486422 /nfs/dbraw/zinc/48/64/22/388486422.db2.gz GQGLTPDHXFKFFY-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000648907959 388488544 /nfs/dbraw/zinc/48/85/44/388488544.db2.gz MNXFSNIUPJTACP-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)C(C)(C)O ZINC000340493992 388491745 /nfs/dbraw/zinc/49/17/45/388491745.db2.gz AJQLVEHDRKPFHN-WOPDTQHZSA-N 1 0 224.348 2.208 20 30 BEEDRO CSC[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000135485193 388497695 /nfs/dbraw/zinc/49/76/95/388497695.db2.gz DGIOKEROTXGPPH-NSHDSACASA-N 1 0 244.429 2.461 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000347477372 388522978 /nfs/dbraw/zinc/52/29/78/388522978.db2.gz PZKVLZZODHSLMP-CYBMUJFWSA-N 1 0 246.354 2.345 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)s1)CC1CC1 ZINC000122938744 388589982 /nfs/dbraw/zinc/58/99/82/388589982.db2.gz GVIYAHHCEPQIER-UHFFFAOYSA-N 1 0 206.314 2.462 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000185667805 388590396 /nfs/dbraw/zinc/59/03/96/388590396.db2.gz GQFOOKXLENYVOO-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO CC#CCCCC(=O)NCC[N@@H+](CC)CCC ZINC000185753176 388590977 /nfs/dbraw/zinc/59/09/77/388590977.db2.gz JLODQNBHRDKNPJ-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+](CC)CCC ZINC000185753031 388591101 /nfs/dbraw/zinc/59/11/01/388591101.db2.gz GEHYZCGWEMVOAG-CYBMUJFWSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N(CC[NH+](C)C)C(C)C ZINC000185918129 388593606 /nfs/dbraw/zinc/59/36/06/388593606.db2.gz KKMOAZBZVYOEJA-CYBMUJFWSA-N 1 0 240.391 2.387 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000185946635 388594530 /nfs/dbraw/zinc/59/45/30/388594530.db2.gz MPDHVJOIFYCTTR-RWMBFGLXSA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCCCC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000649312831 388600243 /nfs/dbraw/zinc/60/02/43/388600243.db2.gz RPIDQQFHOZBVKX-UHFFFAOYSA-N 1 0 245.366 2.462 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1cccc(C#N)c1 ZINC000037738980 388603227 /nfs/dbraw/zinc/60/32/27/388603227.db2.gz AHPYGYUWEFLEDC-WCQYABFASA-N 1 0 230.311 2.245 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O ZINC000186792941 388603473 /nfs/dbraw/zinc/60/34/73/388603473.db2.gz JSNUHBWRNNOODY-YVECIDJPSA-N 1 0 211.349 2.480 20 30 BEEDRO N#Cc1ccc(N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000107813100 388607663 /nfs/dbraw/zinc/60/76/63/388607663.db2.gz DCXWELBSERQTKD-OAHLLOKOSA-N 1 0 241.338 2.233 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCCC[C@H]1OC(F)F ZINC000337415734 388618118 /nfs/dbraw/zinc/61/81/18/388618118.db2.gz PDJVKFUTUVMKMC-NXEZZACHSA-N 1 0 217.259 2.150 20 30 BEEDRO CCSCC[N@H+](CCC#N)CC1CC1 ZINC000081044996 388566258 /nfs/dbraw/zinc/56/62/58/388566258.db2.gz MOAOARYZTRULIS-UHFFFAOYSA-N 1 0 212.362 2.365 20 30 BEEDRO C=CCCCC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000184193248 388574832 /nfs/dbraw/zinc/57/48/32/388574832.db2.gz YVEHHMNYPCRCPR-UHFFFAOYSA-N 1 0 246.354 2.330 20 30 BEEDRO CC[C@@H]1C[N@H+](C)CCN1Cc1cc(C#N)cs1 ZINC000552136155 388575342 /nfs/dbraw/zinc/57/53/42/388575342.db2.gz YNVLZXOZJCDPCC-GFCCVEGCSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)s2)[C@H]1C ZINC000552379718 388580497 /nfs/dbraw/zinc/58/04/97/388580497.db2.gz PFSTWRRTVYMHNF-IUCAKERBSA-N 1 0 206.314 2.460 20 30 BEEDRO C#CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350321 388669709 /nfs/dbraw/zinc/66/97/09/388669709.db2.gz UHQYJWOCVQUEIH-UHFFFAOYSA-N 1 0 232.283 2.438 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](O)C(C)C)C1CC1 ZINC000125343601 388670713 /nfs/dbraw/zinc/67/07/13/388670713.db2.gz WZSJHQISHMPCHN-CHWSQXEVSA-N 1 0 211.349 2.338 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000521994748 388672754 /nfs/dbraw/zinc/67/27/54/388672754.db2.gz GAUILJBWQMCPCD-GFCCVEGCSA-N 1 0 247.317 2.155 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)[C@@H](C)[C@H]1C ZINC000418124235 388675618 /nfs/dbraw/zinc/67/56/18/388675618.db2.gz MCXSMBUQNWJVFI-WOPDTQHZSA-N 1 0 231.343 2.373 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CCc1ccco1 ZINC000538196211 388679328 /nfs/dbraw/zinc/67/93/28/388679328.db2.gz XRDYTCSUOUBLJY-STQMWFEESA-N 1 0 237.343 2.375 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CCc1ccco1 ZINC000538196207 388680386 /nfs/dbraw/zinc/68/03/86/388680386.db2.gz XRDYTCSUOUBLJY-OLZOCXBDSA-N 1 0 237.343 2.375 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CCc1ccco1 ZINC000538196209 388680666 /nfs/dbraw/zinc/68/06/66/388680666.db2.gz XRDYTCSUOUBLJY-QWHCGFSZSA-N 1 0 237.343 2.375 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOCC2CCCC2)o1 ZINC000313297653 388682409 /nfs/dbraw/zinc/68/24/09/388682409.db2.gz MBPDKYFNSILXNP-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000521612570 388618743 /nfs/dbraw/zinc/61/87/43/388618743.db2.gz NSWOKWHCMGBLJI-AVGNSLFASA-N 1 0 230.315 2.102 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000246176902 388621703 /nfs/dbraw/zinc/62/17/03/388621703.db2.gz GJUOCSGXAAIJFT-VXGBXAGGSA-N 1 0 205.305 2.162 20 30 BEEDRO Cc1ccc(NC[C@@H](C2CC2)[NH+](C)C)nc1C#N ZINC000302672340 388624286 /nfs/dbraw/zinc/62/42/86/388624286.db2.gz RYKWFADZCOIWKZ-ZDUSSCGKSA-N 1 0 244.342 2.014 20 30 BEEDRO C[C@H](NC[C@H](C)[NH+](C)C)c1ccc(C#N)cc1F ZINC000358576295 388624722 /nfs/dbraw/zinc/62/47/22/388624722.db2.gz TXHZGPRBWPJUCH-QWRGUYRKSA-N 1 0 249.333 2.298 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000230152536 388634894 /nfs/dbraw/zinc/63/48/94/388634894.db2.gz YREXKGPLLCAHBJ-BXKDBHETSA-N 1 0 236.340 2.277 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CCCN1C ZINC000154608122 388634939 /nfs/dbraw/zinc/63/49/39/388634939.db2.gz QCQUIKGAZACIEJ-QWHCGFSZSA-N 1 0 210.365 2.415 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CCSC2)CCCC1 ZINC000405107572 388638058 /nfs/dbraw/zinc/63/80/58/388638058.db2.gz QPQDUHBJYGFWHY-SNVBAGLBSA-N 1 0 210.346 2.165 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCCCCC2)nc1 ZINC000514646730 388643698 /nfs/dbraw/zinc/64/36/98/388643698.db2.gz YQOIAUNPBHYQJJ-UHFFFAOYSA-N 1 0 215.300 2.329 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189942642 388644870 /nfs/dbraw/zinc/64/48/70/388644870.db2.gz UXVPJDOSARMOKR-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)CC1CCOCC1 ZINC000061948010 388648056 /nfs/dbraw/zinc/64/80/56/388648056.db2.gz JJRVACLQYXONPC-UHFFFAOYSA-N 1 0 244.338 2.417 20 30 BEEDRO Cc1cc(C#N)cc(N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000235827308 177725876 /nfs/dbraw/zinc/72/58/76/177725876.db2.gz WVBGSKRCWPLXFC-ZDUSSCGKSA-N 1 0 244.342 2.191 20 30 BEEDRO C[C@@H](Nc1ccc(F)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000111027353 388652218 /nfs/dbraw/zinc/65/22/18/388652218.db2.gz LVOYWFZNMFETME-MNOVXSKESA-N 1 0 247.317 2.497 20 30 BEEDRO CC(C)C1CCC([NH+]2CCN(CC#N)CC2)CC1 ZINC000084680660 388659607 /nfs/dbraw/zinc/65/96/07/388659607.db2.gz RLHDXKQKOWCYQT-UHFFFAOYSA-N 1 0 249.402 2.342 20 30 BEEDRO COC1([C@H](C)[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000414525888 388664436 /nfs/dbraw/zinc/66/44/36/388664436.db2.gz NHRUPNVDMSTYRF-JTQLQIEISA-N 1 0 234.299 2.198 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2ccc(F)c(C#N)c2)C1 ZINC000123928188 388737416 /nfs/dbraw/zinc/73/74/16/388737416.db2.gz LIZPOMSKFCCZQU-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)cc1F ZINC000276031692 388737481 /nfs/dbraw/zinc/73/74/81/388737481.db2.gz FAUQUCWOAHRLFL-UWVGGRQHSA-N 1 0 236.290 2.210 20 30 BEEDRO COC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093337636 388741000 /nfs/dbraw/zinc/74/10/00/388741000.db2.gz OEEJAMYJLVUVTM-LLVKDONJSA-N 1 0 234.299 2.010 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000124182072 388741383 /nfs/dbraw/zinc/74/13/83/388741383.db2.gz IFGYGIPZLHMWSW-AWEZNQCLSA-N 1 0 248.301 2.044 20 30 BEEDRO C[NH+](C)C[C@@H]1CCCN1c1cccc(F)c1C#N ZINC000093396677 388741835 /nfs/dbraw/zinc/74/18/35/388741835.db2.gz MVDVUBJBIXOOHW-NSHDSACASA-N 1 0 247.317 2.228 20 30 BEEDRO CC/C=C/C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000449464739 388749854 /nfs/dbraw/zinc/74/98/54/388749854.db2.gz YYXBDMSIJQQRIF-ONEGZZNKSA-N 1 0 240.310 2.262 20 30 BEEDRO CC/C=C\C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000449464738 388749870 /nfs/dbraw/zinc/74/98/70/388749870.db2.gz YYXBDMSIJQQRIF-ARJAWSKDSA-N 1 0 240.310 2.262 20 30 BEEDRO C[NH+](C)CC(C)(C)CNCc1cccc(C#N)c1 ZINC000019905736 388750732 /nfs/dbraw/zinc/75/07/32/388750732.db2.gz ZRDBNOLGPNMXDK-UHFFFAOYSA-N 1 0 245.370 2.236 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccc(C#N)cc1 ZINC000019963512 388752505 /nfs/dbraw/zinc/75/25/05/388752505.db2.gz APZMGIKHASDMBW-RISCZKNCSA-N 1 0 230.311 2.388 20 30 BEEDRO CC[C@@H]([NH2+]C[C@H](C)CO)c1ccc(C#N)cc1 ZINC000278281349 388753562 /nfs/dbraw/zinc/75/35/62/388753562.db2.gz PXOXNTCSQMVDDX-SMDDNHRTSA-N 1 0 232.327 2.227 20 30 BEEDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C#N)c(F)c1 ZINC000423229797 388689430 /nfs/dbraw/zinc/68/94/30/388689430.db2.gz CBIHEXMQMNUJTK-ZWNOBZJWSA-N 1 0 247.317 2.100 20 30 BEEDRO CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(C#N)cc1 ZINC000423269805 388689510 /nfs/dbraw/zinc/68/95/10/388689510.db2.gz HQAFCOGSSFCGTR-RISCZKNCSA-N 1 0 231.343 2.192 20 30 BEEDRO C[C@@H](C[NH3+])N[C@H]1CCCCc2cc(C#N)ccc21 ZINC000423363819 388691306 /nfs/dbraw/zinc/69/13/06/388691306.db2.gz BWRLXCCTHSBERQ-NHYWBVRUSA-N 1 0 243.354 2.263 20 30 BEEDRO C[C@@H](NCC1([NH3+])CCC1)c1ccc(C#N)c(F)c1 ZINC000423325174 388691691 /nfs/dbraw/zinc/69/16/91/388691691.db2.gz LEQTXVROBGPTPR-SNVBAGLBSA-N 1 0 247.317 2.229 20 30 BEEDRO CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000423389529 388692592 /nfs/dbraw/zinc/69/25/92/388692592.db2.gz VCLMUAOIBSIPPZ-MNOVXSKESA-N 1 0 249.333 2.346 20 30 BEEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1F)[C@H](C)[NH3+] ZINC000423452738 388692782 /nfs/dbraw/zinc/69/27/82/388692782.db2.gz WUJBXJWKCLPPBW-AEJSXWLSSA-N 1 0 235.306 2.084 20 30 BEEDRO C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1ccc(C#N)cc1F ZINC000423452744 388693011 /nfs/dbraw/zinc/69/30/11/388693011.db2.gz WUJBXJWKCLPPBW-UTLUCORTSA-N 1 0 235.306 2.084 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000193175035 388695273 /nfs/dbraw/zinc/69/52/73/388695273.db2.gz YCKBDBPZYJTSJA-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC(C)(C)C[C@H]1C ZINC000248862983 388696804 /nfs/dbraw/zinc/69/68/04/388696804.db2.gz MPJCXNVJIHLDRA-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO Cc1cc(C[C@H](C)[NH2+][C@H]2CCC[C@@H](C#N)C2)[nH]n1 ZINC000249046279 388705440 /nfs/dbraw/zinc/70/54/40/388705440.db2.gz WGAJRCKXKADZPH-UHTWSYAYSA-N 1 0 246.358 2.321 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000193545072 388708307 /nfs/dbraw/zinc/70/83/07/388708307.db2.gz JBLVPDFJJHYTSN-WFASDCNBSA-N 1 0 231.405 2.432 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)C1CC1 ZINC000249101984 388709489 /nfs/dbraw/zinc/70/94/89/388709489.db2.gz PSKMMEWPESIKMS-YUTCNCBUSA-N 1 0 223.360 2.482 20 30 BEEDRO CC1(C)CCC[C@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000538716492 388711157 /nfs/dbraw/zinc/71/11/57/388711157.db2.gz BLRODZHUZQJWOT-AWEZNQCLSA-N 1 0 249.402 2.344 20 30 BEEDRO C[C@@H]1C[N@@H+](CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000127042503 388712449 /nfs/dbraw/zinc/71/24/49/388712449.db2.gz URVMVWCUTOKXAQ-TXEJJXNPSA-N 1 0 224.348 2.426 20 30 BEEDRO C[NH+](C)[C@H]1CCCN(Cc2ccc(C#N)cc2)C1 ZINC000068554610 388713153 /nfs/dbraw/zinc/71/31/53/388713153.db2.gz MRNYNMGWCKBLLH-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000081063615 388716771 /nfs/dbraw/zinc/71/67/71/388716771.db2.gz HOVWZXUDQJIMHA-CQSZACIVSA-N 1 0 230.311 2.027 20 30 BEEDRO COC[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1 ZINC000081063589 388716916 /nfs/dbraw/zinc/71/69/16/388716916.db2.gz YBELYOBGXLMBDF-LBPRGKRZSA-N 1 0 248.301 2.166 20 30 BEEDRO CC[NH+](CC)CCCNc1cccc(C#N)n1 ZINC000081595337 388720787 /nfs/dbraw/zinc/72/07/87/388720787.db2.gz GUDKKEWBAXMQRB-UHFFFAOYSA-N 1 0 232.331 2.097 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000533080662 388723481 /nfs/dbraw/zinc/72/34/81/388723481.db2.gz JNHHCHMVEKHLPJ-OCCSQVGLSA-N 1 0 244.338 2.151 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(F)ccc1F ZINC000229531466 388794017 /nfs/dbraw/zinc/79/40/17/388794017.db2.gz ZZWXLSLWJOMCFI-NSHDSACASA-N 1 0 209.239 2.466 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C#N)s1 ZINC000229879191 388802137 /nfs/dbraw/zinc/80/21/37/388802137.db2.gz LWCXRQAMJFCRAC-VIFPVBQESA-N 1 0 204.298 2.121 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000229896505 388802930 /nfs/dbraw/zinc/80/29/30/388802930.db2.gz CUMHTLGJQBQNKF-FRRDWIJNSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cc(OC)cc(OC)c1 ZINC000229881023 388803674 /nfs/dbraw/zinc/80/36/74/388803674.db2.gz BUGYFVOHQGRVRM-LBPRGKRZSA-N 1 0 233.311 2.205 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2c1OCCCO2 ZINC000229897962 388804781 /nfs/dbraw/zinc/80/47/81/388804781.db2.gz PZAMVMIXKRCZQA-ZDUSSCGKSA-N 1 0 245.322 2.349 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000229965208 388806102 /nfs/dbraw/zinc/80/61/02/388806102.db2.gz GFTDANNPVCJCOM-LLVKDONJSA-N 1 0 248.282 2.105 20 30 BEEDRO C[C@H]1OCCN(Cc2ccc(C#N)cc2)[C@H]1C ZINC000156428782 388808893 /nfs/dbraw/zinc/80/88/93/388808893.db2.gz XDGPUIXMGVVRJM-NWDGAFQWSA-N 1 0 230.311 2.167 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(COC)c1 ZINC000229514995 388791619 /nfs/dbraw/zinc/79/16/19/388791619.db2.gz YWSQANAZNOWLAX-AWEZNQCLSA-N 1 0 217.312 2.334 20 30 BEEDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000282972304 388821193 /nfs/dbraw/zinc/82/11/93/388821193.db2.gz ZCPFEAJMIGWISV-SNVBAGLBSA-N 1 0 222.313 2.135 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C(CC)CC ZINC000193246854 388834150 /nfs/dbraw/zinc/83/41/50/388834150.db2.gz PJNNHGGQURRACS-LBPRGKRZSA-N 1 0 238.375 2.354 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C#N)cc2F)C1 ZINC000285445174 388835996 /nfs/dbraw/zinc/83/59/96/388835996.db2.gz SCFDHYHBRQHLKX-BETUJISGSA-N 1 0 248.301 2.307 20 30 BEEDRO CC(C)(C#N)CCCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000232513908 388851466 /nfs/dbraw/zinc/85/14/66/388851466.db2.gz BWFVCTSXHQOBFK-NWDGAFQWSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCCC#N)C1 ZINC000564847953 388894498 /nfs/dbraw/zinc/89/44/98/388894498.db2.gz RHHUKTAQIRLOPY-BETUJISGSA-N 1 0 237.391 2.246 20 30 BEEDRO C=CCCCCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000565212956 388926453 /nfs/dbraw/zinc/92/64/53/388926453.db2.gz JYLDNPWLKCXWDZ-CYBMUJFWSA-N 1 0 238.375 2.239 20 30 BEEDRO Cc1ncc(C[NH2+]CC(C)(C)CCC#N)n1C ZINC000565241523 388931115 /nfs/dbraw/zinc/93/11/15/388931115.db2.gz FIEFBGARARNDLV-UHFFFAOYSA-N 1 0 234.347 2.148 20 30 BEEDRO Cn1ccnc1[C@H]([NH2+]CC1(CC#N)CC1)C1CC1 ZINC000565650686 388959868 /nfs/dbraw/zinc/95/98/68/388959868.db2.gz HTJAKNPWWVCWQU-GFCCVEGCSA-N 1 0 244.342 2.155 20 30 BEEDRO C[C@@H](O)[C@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000305678741 388950775 /nfs/dbraw/zinc/95/07/75/388950775.db2.gz MTXGMTRAVJIKAS-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000565998492 388981941 /nfs/dbraw/zinc/98/19/41/388981941.db2.gz QELNYVOPEOYMAY-GFCCVEGCSA-N 1 0 237.347 2.317 20 30 BEEDRO N#CCC[NH2+]C[C@H]1CSc2ccccc21 ZINC000565828814 388971634 /nfs/dbraw/zinc/97/16/34/388971634.db2.gz IFQKVZXDQLARFV-JTQLQIEISA-N 1 0 218.325 2.379 20 30 BEEDRO C#CC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1 ZINC000271468119 389021151 /nfs/dbraw/zinc/02/11/51/389021151.db2.gz IBZFNDVOCADKQF-KGLIPLIRSA-N 1 0 215.296 2.130 20 30 BEEDRO C=C(Cl)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000273207480 389038880 /nfs/dbraw/zinc/03/88/80/389038880.db2.gz KUAFVSKCKRSFBY-SECBINFHSA-N 1 0 232.755 2.022 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000273471893 389040592 /nfs/dbraw/zinc/04/05/92/389040592.db2.gz JLLVNWMBJWOYHQ-CYBMUJFWSA-N 1 0 235.327 2.030 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1csc(CC)n1 ZINC000273392264 389040837 /nfs/dbraw/zinc/04/08/37/389040837.db2.gz PBJJORUQLSGKCZ-VIFPVBQESA-N 1 0 208.330 2.379 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001172496377 974843869 /nfs/dbraw/zinc/84/38/69/974843869.db2.gz MGSABBGSODHCRE-QWHCGFSZSA-N 1 0 222.332 2.324 20 30 BEEDRO C[NH+](C)C[C@@H]1CCCN1Cc1ccccc1C#N ZINC000061644161 1172690440 /nfs/dbraw/zinc/69/04/40/1172690440.db2.gz NLKMETXTCAHLCQ-HNNXBMFYSA-N 1 0 243.354 2.084 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000262910096 533236192 /nfs/dbraw/zinc/23/61/92/533236192.db2.gz CPALJGKDMZBBDW-LBPRGKRZSA-N 1 0 229.327 2.442 20 30 BEEDRO C#C[C@H](NC(=[NH2+])Nc1ccccc1)C(C)(C)C ZINC000262303371 533278184 /nfs/dbraw/zinc/27/81/84/533278184.db2.gz LMQMJIQULXEXHC-LBPRGKRZSA-N 1 0 229.327 2.461 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000289541705 533297413 /nfs/dbraw/zinc/29/74/13/533297413.db2.gz QOCNGFMLHWNZFO-JTQLQIEISA-N 1 0 218.256 2.015 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCC[C@@H](C)CO)cc1 ZINC000289954640 533342303 /nfs/dbraw/zinc/34/23/03/533342303.db2.gz AYHYQYABETWIEG-CYBMUJFWSA-N 1 0 231.339 2.166 20 30 BEEDRO C=C(C)CC[N@@H+](C)Cc1ccnn1CC ZINC000352342437 533484363 /nfs/dbraw/zinc/48/43/63/533484363.db2.gz SFRSZPTWWSUBTE-UHFFFAOYSA-N 1 0 207.321 2.301 20 30 BEEDRO C=C(C)CC[N@H+](C)CCCNC(=O)C1CCC1 ZINC000352402350 533485095 /nfs/dbraw/zinc/48/50/95/533485095.db2.gz NIYYDHNLFXEWLF-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N(CCC)CCC ZINC000181274215 533495612 /nfs/dbraw/zinc/49/56/12/533495612.db2.gz XASGVCDANQHIRT-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CC(C)(C)C ZINC000339255064 533498096 /nfs/dbraw/zinc/49/80/96/533498096.db2.gz PMUXPTKGRBTLCN-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(C)C[N@@H+](CC)C[C@@](C)(O)C(F)(F)F ZINC000337142736 533505643 /nfs/dbraw/zinc/50/56/43/533505643.db2.gz XOOHDBWQJDZDDT-SECBINFHSA-N 1 0 225.254 2.198 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)c1ccc(F)cc1 ZINC000264121732 533510424 /nfs/dbraw/zinc/51/04/24/533510424.db2.gz VGGQSTPRBJGKTE-NSHDSACASA-N 1 0 249.333 2.410 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[C@H]1C ZINC000261997284 533511348 /nfs/dbraw/zinc/51/13/48/533511348.db2.gz OFCKNIFLGZAFQJ-NEPJUHHUSA-N 1 0 223.364 2.293 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000374902116 533513567 /nfs/dbraw/zinc/51/35/67/533513567.db2.gz ZDQSMUSZKZJHBF-AWEZNQCLSA-N 1 0 235.302 2.295 20 30 BEEDRO C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000424377283 533519443 /nfs/dbraw/zinc/51/94/43/533519443.db2.gz QXYSBACEUXDMRC-KCPJHIHWSA-N 1 0 243.354 2.479 20 30 BEEDRO C[NH2+]C[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000040602036 132223831 /nfs/dbraw/zinc/22/38/31/132223831.db2.gz LQUFCGXMGXLUQO-NSHDSACASA-N 1 0 247.317 2.133 20 30 BEEDRO N#Cc1ccc(N2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000061847033 132239466 /nfs/dbraw/zinc/23/94/66/132239466.db2.gz IWWFIYSOOCLNTB-JTQLQIEISA-N 1 0 249.745 2.387 20 30 BEEDRO N#Cc1cc(F)ccc1N1CCCC[C@@H]1C[NH3+] ZINC000111027335 132268026 /nfs/dbraw/zinc/26/80/26/132268026.db2.gz JXJIUUKGSYXFMK-GFCCVEGCSA-N 1 0 233.290 2.015 20 30 BEEDRO C=CCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000172618719 132290769 /nfs/dbraw/zinc/29/07/69/132290769.db2.gz ABHCUBOXQNKIQO-UHFFFAOYSA-N 1 0 246.354 2.393 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000336701687 133537171 /nfs/dbraw/zinc/53/71/71/133537171.db2.gz LVEJKPXSPQVIFG-KGLIPLIRSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000336711639 133537658 /nfs/dbraw/zinc/53/76/58/133537658.db2.gz UMLRYSUPMGETKQ-LBPRGKRZSA-N 1 0 211.349 2.291 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccc2sccc2c1 ZINC000290752763 133571783 /nfs/dbraw/zinc/57/17/83/133571783.db2.gz YKHBUJVQYRHMLM-UHFFFAOYSA-N 1 0 233.340 2.278 20 30 BEEDRO CC[C@H](COC)[NH2+]CCc1cccc(C#N)c1 ZINC000343600209 133694760 /nfs/dbraw/zinc/69/47/60/133694760.db2.gz LXVGFFVGVVPAAC-CQSZACIVSA-N 1 0 232.327 2.115 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(C#N)o2)C1(C)C ZINC000345694246 133785083 /nfs/dbraw/zinc/78/50/83/133785083.db2.gz QKXUULJHGQTSDV-OASPWFOLSA-N 1 0 248.326 2.300 20 30 BEEDRO C=CC[N@@H+](C)CCC(C)(C)CC(=O)OCC ZINC000347205431 133812716 /nfs/dbraw/zinc/81/27/16/133812716.db2.gz QQVNQDPFQCFIKN-UHFFFAOYSA-N 1 0 227.348 2.474 20 30 BEEDRO N#C[C@H]1CC[C@H](SCC2CC[NH2+]CC2)C1 ZINC000335457095 133852545 /nfs/dbraw/zinc/85/25/45/133852545.db2.gz WYPODCNOHLRCLD-RYUDHWBXSA-N 1 0 224.373 2.411 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000349815178 133913665 /nfs/dbraw/zinc/91/36/65/133913665.db2.gz ZGNHBKNTJCJQBN-ZYHUDNBSSA-N 1 0 245.282 2.377 20 30 BEEDRO C=C(C)CN1CCC([NH2+]Cc2ccncc2)CC1 ZINC000106245948 133959385 /nfs/dbraw/zinc/95/93/85/133959385.db2.gz AGNKMKCTGJSUAC-UHFFFAOYSA-N 1 0 245.370 2.212 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)[C@@H](C)CN1C ZINC000351957907 134017308 /nfs/dbraw/zinc/01/73/08/134017308.db2.gz IRNNMQXSGDNSLK-OLZOCXBDSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH+]2CCC(C#N)CC2)CCO1 ZINC000335968483 134028813 /nfs/dbraw/zinc/02/88/13/134028813.db2.gz CTWMKCBZEBJESM-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C=C(C)CC[NH+]1CCN(CC(F)(F)F)CC1 ZINC000352043850 134045637 /nfs/dbraw/zinc/04/56/37/134045637.db2.gz GQPMCNVUUKJKKG-UHFFFAOYSA-N 1 0 236.281 2.133 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cn3ccccc3n2)C1 ZINC000336053514 134061477 /nfs/dbraw/zinc/06/14/77/134061477.db2.gz ZDOGDMZLEAWOCT-NWDGAFQWSA-N 1 0 240.310 2.116 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC(C)(C)CCC#N ZINC000352097960 134064849 /nfs/dbraw/zinc/06/48/49/134064849.db2.gz XWFMCLIYFZNHHH-NSHDSACASA-N 1 0 207.321 2.408 20 30 BEEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000336119507 134089894 /nfs/dbraw/zinc/08/98/94/134089894.db2.gz YBDIEKIZBSPLSX-JSGCOSHPSA-N 1 0 214.312 2.488 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(CO)CC3(CCC3)C2)C1 ZINC000333135613 134090832 /nfs/dbraw/zinc/09/08/32/134090832.db2.gz XOXCZJLDTWDKAR-OLZOCXBDSA-N 1 0 248.370 2.211 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(F)c1C#N ZINC000336126156 134092872 /nfs/dbraw/zinc/09/28/72/134092872.db2.gz MPLVRIWCXQWWKR-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cn[nH]c32)C1 ZINC000333449582 134109579 /nfs/dbraw/zinc/10/95/79/134109579.db2.gz LNZCKZKYDOFTAV-YUSALJHKSA-N 1 0 230.315 2.069 20 30 BEEDRO C[C@@H]1CC[N@@H+]([C@@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC000336169904 134114849 /nfs/dbraw/zinc/11/48/49/134114849.db2.gz WTNLFAKBBHVOBS-ZWNOBZJWSA-N 1 0 243.310 2.476 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)ccc1C#N ZINC000336174796 134116371 /nfs/dbraw/zinc/11/63/71/134116371.db2.gz HYQVGFKEPGWUAK-UONOGXRCSA-N 1 0 244.338 2.116 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000336204832 134131765 /nfs/dbraw/zinc/13/17/65/134131765.db2.gz CKQXXIDWEGRCKS-OWYJLGKBSA-N 1 0 247.386 2.285 20 30 BEEDRO C[N@H+](Cc1ccccn1)[C@@H]1CC[C@H](C#N)C1 ZINC000336276572 134141958 /nfs/dbraw/zinc/14/19/58/134141958.db2.gz UWQDMBAWFIAHEZ-WCQYABFASA-N 1 0 215.300 2.206 20 30 BEEDRO N#CC1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000336301878 134142502 /nfs/dbraw/zinc/14/25/02/134142502.db2.gz UUTSOSOPQFDTOG-TXEJJXNPSA-N 1 0 204.317 2.412 20 30 BEEDRO C=C(C)CC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000352404931 134144150 /nfs/dbraw/zinc/14/41/50/134144150.db2.gz FQVAJTWJIWFHBP-UHFFFAOYSA-N 1 0 247.342 2.286 20 30 BEEDRO N#CC1(C[N@@H+]2CCC[C@]3(CCCOC3)C2)CC1 ZINC000336364631 134144893 /nfs/dbraw/zinc/14/48/93/134144893.db2.gz JTBNXWVPSXNLEF-AWEZNQCLSA-N 1 0 234.343 2.183 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnn(C)c1C ZINC000336605976 134150976 /nfs/dbraw/zinc/15/09/76/134150976.db2.gz NNOWLDXVAZSGBS-CYBMUJFWSA-N 1 0 219.332 2.269 20 30 BEEDRO C[C@@H](CC#N)[N@H+](C)C[C@H]1CCO[C@H](C)C1 ZINC000352689852 134151130 /nfs/dbraw/zinc/15/11/30/134151130.db2.gz AXEJZPRHMQZYRN-TUAOUCFPSA-N 1 0 210.321 2.035 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CCO[C@H](C)C1 ZINC000352693522 134151246 /nfs/dbraw/zinc/15/12/46/134151246.db2.gz SASDFPLNGDQZKI-JHJVBQTASA-N 1 0 224.348 2.283 20 30 BEEDRO COCC1(C)CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000336612451 134151383 /nfs/dbraw/zinc/15/13/83/134151383.db2.gz WJXJSOZIKUACII-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C(Cl)CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000167736720 134153867 /nfs/dbraw/zinc/15/38/67/134153867.db2.gz PNWDLUAROHDIEY-VXGBXAGGSA-N 1 0 222.719 2.473 20 30 BEEDRO CC#CCC[N@@H+](CCC)CCN1CCCC1 ZINC000352886521 134156994 /nfs/dbraw/zinc/15/69/94/134156994.db2.gz QAPNSUHRCWWIJB-UHFFFAOYSA-N 1 0 222.376 2.208 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@H](C)[S@](=O)[C@@H](CC)C1 ZINC000352889329 134157109 /nfs/dbraw/zinc/15/71/09/134157109.db2.gz YBEJHJJFSROCDR-HUBLWGQQSA-N 1 0 229.389 2.184 20 30 BEEDRO C[C@H](CCCC#N)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001172498433 974849103 /nfs/dbraw/zinc/84/91/03/974849103.db2.gz MTMIPOZOJGEECC-MCIONIFRSA-N 1 0 235.375 2.237 20 30 BEEDRO C=CC[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000352963220 134158612 /nfs/dbraw/zinc/15/86/12/134158612.db2.gz FNFXUDXJSWGYLI-LBPRGKRZSA-N 1 0 230.315 2.202 20 30 BEEDRO CN(CCC[N@H+](C)CCCC#N)Cc1ccco1 ZINC000353545155 134164381 /nfs/dbraw/zinc/16/43/81/134164381.db2.gz RHUFFBJMOYITES-UHFFFAOYSA-N 1 0 249.358 2.337 20 30 BEEDRO Cc1cc(CC[NH2+][C@H]2CCC[C@H](C#N)C2)on1 ZINC000353994631 134166276 /nfs/dbraw/zinc/16/62/76/134166276.db2.gz CIICCHCEBNAELP-RYUDHWBXSA-N 1 0 233.315 2.198 20 30 BEEDRO CC#CCC[NH2+]Cc1c(CC)nn(C)c1CC ZINC000354181063 134167348 /nfs/dbraw/zinc/16/73/48/134167348.db2.gz UHDKOCJLGZWQLP-UHFFFAOYSA-N 1 0 233.359 2.048 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H]1COCC ZINC000354408896 134168291 /nfs/dbraw/zinc/16/82/91/134168291.db2.gz CIZXPWQADUMORK-ZIAGYGMSSA-N 1 0 241.375 2.374 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356293513 134177617 /nfs/dbraw/zinc/17/76/17/134177617.db2.gz RDJXCFKZBVLBGP-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](CCC)[NH2+]C(C)C ZINC000357659308 134184879 /nfs/dbraw/zinc/18/48/79/134184879.db2.gz SSAMZLWWPOUIDU-ZDUSSCGKSA-N 1 0 238.375 2.354 20 30 BEEDRO CCCCCCCCC(=O)NCC[NH2+]C ZINC000114576652 134186463 /nfs/dbraw/zinc/18/64/63/134186463.db2.gz SAPQUZZMHGHSSW-UHFFFAOYSA-N 1 0 214.353 2.073 20 30 BEEDRO CN(CC[C@H]1CCCC[N@@H+]1C)CC(C)(C)C#N ZINC000359745339 134196926 /nfs/dbraw/zinc/19/69/26/134196926.db2.gz POBKOCFWLFGBIN-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000360236815 134199408 /nfs/dbraw/zinc/19/94/08/134199408.db2.gz DPHFQXHXMQGRRV-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000360418234 134200660 /nfs/dbraw/zinc/20/06/60/134200660.db2.gz XTYRSVFQZPKALY-LLVKDONJSA-N 1 0 247.342 2.285 20 30 BEEDRO CC#CCC[NH+]1CCC(C)(COC)CC1 ZINC000360489351 134200799 /nfs/dbraw/zinc/20/07/99/134200799.db2.gz GNIFDAVNFJQBOG-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000360957607 134202652 /nfs/dbraw/zinc/20/26/52/134202652.db2.gz AJVGLYFCUBEGDB-ZDUSSCGKSA-N 1 0 203.285 2.326 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC1CCC1 ZINC000361483906 134205745 /nfs/dbraw/zinc/20/57/45/134205745.db2.gz GQRPFNOFRLKHGD-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[N@H+](CCC#N)CC1(OC)CCCC1 ZINC000361508936 134205764 /nfs/dbraw/zinc/20/57/64/134205764.db2.gz RGYSWNKBYGWLJG-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CC[N@H+](CCOC)CC[C@H]1CCCCO1 ZINC000361997957 134208447 /nfs/dbraw/zinc/20/84/47/134208447.db2.gz ZGLGVFGDIZMKKA-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000362299338 134209704 /nfs/dbraw/zinc/20/97/04/134209704.db2.gz ZWJJRPZTROYRDB-YPMHNXCESA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@H+]1CCC2(CC(OCC)C2)C1 ZINC000367604083 134215807 /nfs/dbraw/zinc/21/58/07/134215807.db2.gz REBSCOBNVQMRBM-UHFFFAOYSA-N 1 0 209.333 2.454 20 30 BEEDRO CC#CCC[N@@H+]1CCOC[C@H](C2CCC2)C1 ZINC000368353490 134218157 /nfs/dbraw/zinc/21/81/57/134218157.db2.gz ARLGMVLMXODRSJ-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO CC#CCC[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000368488255 134218583 /nfs/dbraw/zinc/21/85/83/134218583.db2.gz ZHVMDQHQLLIQLA-UHFFFAOYSA-N 1 0 217.316 2.003 20 30 BEEDRO C#CCC[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000368583269 134219318 /nfs/dbraw/zinc/21/93/18/134219318.db2.gz ZHEGTFXCJDHBPW-RYUDHWBXSA-N 1 0 209.358 2.370 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000368938477 134221156 /nfs/dbraw/zinc/22/11/56/134221156.db2.gz MYXAIQBSYNDDPT-QWHCGFSZSA-N 1 0 237.343 2.023 20 30 BEEDRO N#CCCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000369527103 134222822 /nfs/dbraw/zinc/22/28/22/134222822.db2.gz JFCNOWXCZKIECB-AWEZNQCLSA-N 1 0 248.301 2.023 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CC(C)C)C1 ZINC000119226211 134225590 /nfs/dbraw/zinc/22/55/90/134225590.db2.gz BLRWXQJUEXVCCP-CYBMUJFWSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000168543653 134225612 /nfs/dbraw/zinc/22/56/12/134225612.db2.gz UBIBDSCPECGUQX-UTUOFQBUSA-N 1 0 209.333 2.356 20 30 BEEDRO CCO[C@@H]1C[C@H]([N@H+](C)CCCC#N)C1(C)C ZINC000120570377 134229801 /nfs/dbraw/zinc/22/98/01/134229801.db2.gz WATGYBYBURGENS-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000372107009 134230472 /nfs/dbraw/zinc/23/04/72/134230472.db2.gz CYFNNPFCCFSMGH-LLVKDONJSA-N 1 0 217.740 2.487 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000303551907 134234699 /nfs/dbraw/zinc/23/46/99/134234699.db2.gz VEDIGENQZBNSSM-JTQLQIEISA-N 1 0 224.279 2.074 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374012772 134235600 /nfs/dbraw/zinc/23/56/00/134235600.db2.gz GBSAYFUJNDRZOT-IHRRRGAJSA-N 1 0 239.359 2.221 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC(C)(C)C#N)C12CCC2 ZINC000122273004 134238211 /nfs/dbraw/zinc/23/82/11/134238211.db2.gz DQQMADNSSUSRPG-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000305097947 134239568 /nfs/dbraw/zinc/23/95/68/134239568.db2.gz WEKKOCQTTHZESR-SRVKXCTJSA-N 1 0 229.389 2.139 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000305097949 134239798 /nfs/dbraw/zinc/23/97/98/134239798.db2.gz WEKKOCQTTHZESR-UTUOFQBUSA-N 1 0 229.389 2.139 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1 ZINC000375736457 134240242 /nfs/dbraw/zinc/24/02/42/134240242.db2.gz NWEJIEXACUVMGQ-INIZCTEOSA-N 1 0 241.334 2.280 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377678656 134244207 /nfs/dbraw/zinc/24/42/07/134244207.db2.gz SLGBFKRSVAZPNT-CABCVRRESA-N 1 0 246.329 2.184 20 30 BEEDRO CC#CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377678663 134244279 /nfs/dbraw/zinc/24/42/79/134244279.db2.gz SLGBFKRSVAZPNT-HUUCEWRRSA-N 1 0 246.329 2.184 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1 ZINC000377678148 134244381 /nfs/dbraw/zinc/24/43/81/134244381.db2.gz NTAMWRYCHUAFTE-MRXNPFEDSA-N 1 0 241.334 2.423 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)CCC)CC1 ZINC000171568234 134259349 /nfs/dbraw/zinc/25/93/49/134259349.db2.gz WDUUJKYYEROHQN-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[N@@H+]1CCO[C@H](COC)C1 ZINC000172886043 134270599 /nfs/dbraw/zinc/27/05/99/134270599.db2.gz GOMCUFZETYDWMQ-ZDUSSCGKSA-N 1 0 229.364 2.304 20 30 BEEDRO CCN(C[C@H](C)C#N)C[C@@H]1CCCCO1 ZINC000219362643 134281195 /nfs/dbraw/zinc/28/11/95/134281195.db2.gz HSEAQKFGYSEELA-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CO[C@@]1(C)C[C@H]([N@H+](C)CCCC#N)C1(C)C ZINC000174477935 134281677 /nfs/dbraw/zinc/28/16/77/134281677.db2.gz NRNMHONUTNKMSQ-AAEUAGOBSA-N 1 0 224.348 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C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCCCC#N ZINC000182630813 134346531 /nfs/dbraw/zinc/34/65/31/134346531.db2.gz AACRTTNLAWHACX-NSHDSACASA-N 1 0 240.347 2.390 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)c1cccnc1 ZINC000182886524 134349236 /nfs/dbraw/zinc/34/92/36/134349236.db2.gz LGEKNKVBYKRNHT-NSHDSACASA-N 1 0 235.356 2.379 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1sccc1C ZINC000184285637 134361476 /nfs/dbraw/zinc/36/14/76/134361476.db2.gz JVIUHVWNOKUWHL-SNVBAGLBSA-N 1 0 211.330 2.083 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)ccc1C ZINC000184280972 134361591 /nfs/dbraw/zinc/36/15/91/134361591.db2.gz UWDDNTVMMDIEOY-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(C)c1 ZINC000184278866 134361752 /nfs/dbraw/zinc/36/17/52/134361752.db2.gz LMYUXELYOBLZDZ-ZDUSSCGKSA-N 1 0 205.301 2.022 20 30 BEEDRO C[C@H]1C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO1 ZINC000227009600 134373062 /nfs/dbraw/zinc/37/30/62/134373062.db2.gz MNSFWTIONPWCQU-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO CC[C@@H](C)N(C)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185810508 134390770 /nfs/dbraw/zinc/39/07/70/134390770.db2.gz GMCGZXAMTSWNKG-HZSPNIEDSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1 ZINC000185815036 134390790 /nfs/dbraw/zinc/39/07/90/134390790.db2.gz NLEZMRZPXDWXSN-DZGCQCFKSA-N 1 0 247.386 2.309 20 30 BEEDRO C[C@H]1CCCN(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000185779310 134395089 /nfs/dbraw/zinc/39/50/89/134395089.db2.gz NHQHCLHVXSGTRO-SOUVJXGZSA-N 1 0 249.402 2.390 20 30 BEEDRO C#CCSCCNc1cc[nH+]c(C)c1 ZINC000229543527 134456555 /nfs/dbraw/zinc/45/65/55/134456555.db2.gz CLDTWMMWOYFPQT-UHFFFAOYSA-N 1 0 206.314 2.168 20 30 BEEDRO CSCCCCNC(=[NH2+])N1CCC(C)CC1 ZINC000304306471 134468627 /nfs/dbraw/zinc/46/86/27/134468627.db2.gz POTCYCHVMYKFJU-UHFFFAOYSA-N 1 0 243.420 2.176 20 30 BEEDRO C=CCN1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000309745066 134483517 /nfs/dbraw/zinc/48/35/17/134483517.db2.gz FIVUQQZOHRXRIK-YRGRVCCFSA-N 1 0 222.376 2.271 20 30 BEEDRO COCC[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000309942960 134493668 /nfs/dbraw/zinc/49/36/68/134493668.db2.gz CHORGMHQXDPQJL-HIFPTAJRSA-N 1 0 224.348 2.331 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)c1 ZINC000230316417 134495946 /nfs/dbraw/zinc/49/59/46/134495946.db2.gz LTBPDCPWRRMFGW-QWHCGFSZSA-N 1 0 248.351 2.277 20 30 BEEDRO C=C(C[NH2+]Cc1ncc[nH]1)c1ccccc1 ZINC000309315157 134598280 /nfs/dbraw/zinc/59/82/80/134598280.db2.gz CVWFDIJXGZQLOV-UHFFFAOYSA-N 1 0 213.284 2.213 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000309558576 134598349 /nfs/dbraw/zinc/59/83/49/134598349.db2.gz KIABWHHTANBASY-CMPLNLGQSA-N 1 0 219.332 2.211 20 30 BEEDRO CC#CC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000310023867 134599792 /nfs/dbraw/zinc/59/97/92/134599792.db2.gz OLPRNAKGIQIYJG-YNEHKIRRSA-N 1 0 223.360 2.439 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]CCOCCC#N)[C@@H](C)C1 ZINC000339098616 134606213 /nfs/dbraw/zinc/60/62/13/134606213.db2.gz ZLIXPXKTOHBIPF-AGIUHOORSA-N 1 0 224.348 2.331 20 30 BEEDRO CCOC[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000126767875 134610229 /nfs/dbraw/zinc/61/02/29/134610229.db2.gz YRDFXJFSWKDTOQ-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000130548086 134619954 /nfs/dbraw/zinc/61/99/54/134619954.db2.gz VECMODYWOFMKFJ-LBPRGKRZSA-N 1 0 246.354 2.491 20 30 BEEDRO C[C@H]([NH2+]CC#Cc1ccccc1)[C@@H]1CCCOC1 ZINC000361766654 134667788 /nfs/dbraw/zinc/66/77/88/134667788.db2.gz OKQVAEOYBPPKCU-GOEBONIOSA-N 1 0 243.350 2.443 20 30 BEEDRO CCCCCCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000193719031 134814493 /nfs/dbraw/zinc/81/44/93/134814493.db2.gz CJYHGNFLMGVSDL-AWEZNQCLSA-N 1 0 241.375 2.448 20 30 BEEDRO C=CCCCCC[NH+]1CCC(CO)CC1 ZINC000194359874 134823276 /nfs/dbraw/zinc/82/32/76/134823276.db2.gz MQDHPHIXOHONPV-UHFFFAOYSA-N 1 0 211.349 2.437 20 30 BEEDRO CCc1ccc(CNC(=[NH2+])NC(C)C)s1 ZINC000104172054 134855579 /nfs/dbraw/zinc/85/55/79/134855579.db2.gz CRDGOFFYJJNJLM-UHFFFAOYSA-N 1 0 225.361 2.123 20 30 BEEDRO C[C@@H]1OCC[C@@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000335607969 134878255 /nfs/dbraw/zinc/87/82/55/134878255.db2.gz VVDKDFMPBDAECO-WTIISPKJSA-N 1 0 222.332 2.083 20 30 BEEDRO CCO[NH+]=C(N)c1ccc(N2CCCCC2)cc1 ZINC000174129162 134894009 /nfs/dbraw/zinc/89/40/09/134894009.db2.gz UZKNXONNJZGVFJ-UHFFFAOYSA-N 1 0 247.342 2.334 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CCCOC1 ZINC000336750328 134930334 /nfs/dbraw/zinc/93/03/34/134930334.db2.gz UQDGGTVKOXXPOI-WUHRBBMRSA-N 1 0 222.332 2.083 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185712664 134931571 /nfs/dbraw/zinc/93/15/71/134931571.db2.gz TYOGONYTHRLXJG-RYUDHWBXSA-N 1 0 233.315 2.463 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCC1(O)CCC1 ZINC000336762138 134939929 /nfs/dbraw/zinc/93/99/29/134939929.db2.gz NVHPCSCLYGRSFB-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000336768597 134961596 /nfs/dbraw/zinc/96/15/96/134961596.db2.gz RBXREEZBCPMPPT-XQQFMLRXSA-N 1 0 227.348 2.125 20 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C=CCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000338540450 135040080 /nfs/dbraw/zinc/04/00/80/135040080.db2.gz PHSHZDSEHXBEKR-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000338676054 135043295 /nfs/dbraw/zinc/04/32/95/135043295.db2.gz PTUIBJZJDKVGFM-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000338762675 135045556 /nfs/dbraw/zinc/04/55/56/135045556.db2.gz KGORJKLMBDUKET-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)c1 ZINC000249948365 135047109 /nfs/dbraw/zinc/04/71/09/135047109.db2.gz IMPNAXIONXVHFD-RRFJBIMHSA-N 1 0 242.322 2.215 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000338886371 135047960 /nfs/dbraw/zinc/04/79/60/135047960.db2.gz GEWOZUYUZAMRMW-SNVBAGLBSA-N 1 0 237.265 2.463 20 30 BEEDRO CC[N@H+](CCOCCC#N)[C@H](C)C(C)C ZINC000338932322 135048740 /nfs/dbraw/zinc/04/87/40/135048740.db2.gz BJJPITXYFXNPTR-GFCCVEGCSA-N 1 0 212.337 2.283 20 30 BEEDRO CC(C)OCCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000339004709 135051177 /nfs/dbraw/zinc/05/11/77/135051177.db2.gz XKOVHGJQBWRVDH-QWHCGFSZSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCOCCC#N ZINC000339005604 135051260 /nfs/dbraw/zinc/05/12/60/135051260.db2.gz VPRNPDMWXYZWMV-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOCC[N@@H+](C)C1CCC(OC)CC1 ZINC000338998752 135051474 /nfs/dbraw/zinc/05/14/74/135051474.db2.gz DDIYUWLIODKMJC-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO C[C@H]1Cc2ccccc2C[N@@H+]1CCOCCC#N ZINC000339005209 135051568 /nfs/dbraw/zinc/05/15/68/135051568.db2.gz ISPMKQZJVMGYNE-ZDUSSCGKSA-N 1 0 244.338 2.363 20 30 BEEDRO CCC[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000339018295 135052373 /nfs/dbraw/zinc/05/23/73/135052373.db2.gz VRDZRYUOEFCRQH-ZDUSSCGKSA-N 1 0 224.348 2.429 20 30 BEEDRO C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CC[C@H](C#N)C3)CC[C@H]21 ZINC000339020830 135053409 /nfs/dbraw/zinc/05/34/09/135053409.db2.gz IWNIZYDMVDJESE-GBJTYRQASA-N 1 0 247.386 2.095 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000339054632 135053922 /nfs/dbraw/zinc/05/39/22/135053922.db2.gz VUFQYXBJWLMFDZ-AWEZNQCLSA-N 1 0 232.327 2.421 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3CCOCC3)C2)C1 ZINC000339052270 135054366 /nfs/dbraw/zinc/05/43/66/135054366.db2.gz HCPXYJGWWQQRLO-BPLDGKMQSA-N 1 0 248.370 2.427 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)C1 ZINC000339048358 135054598 /nfs/dbraw/zinc/05/45/98/135054598.db2.gz VPILWGMGQRIIDG-QPSCCSFWSA-N 1 0 248.370 2.427 20 30 BEEDRO C[C@@H]1CC[N@H+](CCOCCC#N)CC1(C)C ZINC000339088443 135057357 /nfs/dbraw/zinc/05/73/57/135057357.db2.gz PCNBFCHNAFPYDY-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000339093205 135058557 /nfs/dbraw/zinc/05/85/57/135058557.db2.gz ZKMRFKQKOXFCKX-UONOGXRCSA-N 1 0 249.358 2.159 20 30 BEEDRO CO[C@]1(C)CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000339140018 135061334 /nfs/dbraw/zinc/06/13/34/135061334.db2.gz KPRWXZRBGRZKSP-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[N@H+]1CCSCC[C@@H]1C ZINC000339135409 135061738 /nfs/dbraw/zinc/06/17/38/135061738.db2.gz SVDMDKGRYMFWQT-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000339146074 135063077 /nfs/dbraw/zinc/06/30/77/135063077.db2.gz UVRYIHSCMCMKNM-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@]3(C2)CCCOC3)C1 ZINC000339171794 135063855 /nfs/dbraw/zinc/06/38/55/135063855.db2.gz LUDHZWKFFCNIIO-HZSPNIEDSA-N 1 0 234.343 2.181 20 30 BEEDRO CC[N@H+](C[C@H](C)OC)[C@H]1CC[C@H](C#N)C1 ZINC000339208463 135066353 /nfs/dbraw/zinc/06/63/53/135066353.db2.gz ZRKDQZLLZISAMU-SRVKXCTJSA-N 1 0 210.321 2.035 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](COC(F)F)C2)C1 ZINC000339194787 135066794 /nfs/dbraw/zinc/06/67/94/135066794.db2.gz OJGWYGAHAUTCFG-VWYCJHECSA-N 1 0 244.285 2.240 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)cc1 ZINC000077419768 135067432 /nfs/dbraw/zinc/06/74/32/135067432.db2.gz NELQSTMMYDLOHD-STQMWFEESA-N 1 0 249.354 2.358 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000336212676 135067626 /nfs/dbraw/zinc/06/76/26/135067626.db2.gz CQFBHMMACMCIAQ-HSBZDZAISA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C(=O)NCC)C(C)C ZINC000339329187 135070851 /nfs/dbraw/zinc/07/08/51/135070851.db2.gz NSYFUNCQLJHXHN-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO COC[C@@H]1CCC[N@H+](CCCCC#N)C1 ZINC000112989272 135072145 /nfs/dbraw/zinc/07/21/45/135072145.db2.gz VBQNQUZEGOFFLE-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCCOCC[NH2+]CC1(SC)CC1 ZINC000308519101 135078467 /nfs/dbraw/zinc/07/84/67/135078467.db2.gz GVOLVGOOXPKSPI-UHFFFAOYSA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCC[N@@H+]1CCOC[C@H]1CC1CCC1 ZINC000339773455 135082431 /nfs/dbraw/zinc/08/24/31/135082431.db2.gz RMYYRIWYJAUJBT-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCCO1 ZINC000339819429 135083351 /nfs/dbraw/zinc/08/33/51/135083351.db2.gz UUOUGVCLQBYXOE-RDBSUJKOSA-N 1 0 236.359 2.426 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246702030 135083558 /nfs/dbraw/zinc/08/35/58/135083558.db2.gz NJCYWUNKLQVLHK-QWHCGFSZSA-N 1 0 222.332 2.181 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000086500211 135087241 /nfs/dbraw/zinc/08/72/41/135087241.db2.gz AUSFCSTWZAUZOS-NSHDSACASA-N 1 0 238.356 2.116 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000336474556 135093100 /nfs/dbraw/zinc/09/31/00/135093100.db2.gz SOGVKRNHCIEFNK-TZMCWYRMSA-N 1 0 225.295 2.340 20 30 BEEDRO [NH2+]=C(NCc1c(F)cccc1Cl)NC1CC1 ZINC000261756233 135111424 /nfs/dbraw/zinc/11/14/24/135111424.db2.gz KRQKZAPLXBEISX-UHFFFAOYSA-N 1 0 241.697 2.046 20 30 BEEDRO CCOc1ccc(C[NH+]=C(N(C)C)N(C)C)cc1 ZINC000261986828 135113387 /nfs/dbraw/zinc/11/33/87/135113387.db2.gz KKFZOTCPVHYZSH-UHFFFAOYSA-N 1 0 249.358 2.065 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])Nc1ccc(OC)cc1)C(C)C ZINC000262116483 135115325 /nfs/dbraw/zinc/11/53/25/135115325.db2.gz JEZRDYHSUNWFOG-CYBMUJFWSA-N 1 0 245.326 2.080 20 30 BEEDRO CNC(NCc1oc2ccccc2c1C)=[NH+]C ZINC000262180239 135117141 /nfs/dbraw/zinc/11/71/41/135117141.db2.gz DOHHLLZWZLUPHA-UHFFFAOYSA-N 1 0 231.299 2.036 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1c2ccccc2O[C@@H]1C ZINC000262292136 135117741 /nfs/dbraw/zinc/11/77/41/135117741.db2.gz NVXJLKXSMJQSKX-OPQQBVKSSA-N 1 0 247.342 2.211 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262339250 135117817 /nfs/dbraw/zinc/11/78/17/135117817.db2.gz ABSMDOWNQKDJHS-OLRMPSLUSA-N 1 0 243.354 2.028 20 30 BEEDRO C[NH+]=C(NCc1sccc1C)N[C@H]1C[C@@H]1C ZINC000262350595 135118167 /nfs/dbraw/zinc/11/81/67/135118167.db2.gz FCNBFWSFJSRUOO-UWVGGRQHSA-N 1 0 237.372 2.130 20 30 BEEDRO C[NH+]=C(NCc1sccc1C)N[C@@H]1C[C@H]1C ZINC000262350594 135118297 /nfs/dbraw/zinc/11/82/97/135118297.db2.gz FCNBFWSFJSRUOO-NXEZZACHSA-N 1 0 237.372 2.130 20 30 BEEDRO C=C(Cl)CNC(NCC1CCC1)=[NH+]CC ZINC000262422973 135119066 /nfs/dbraw/zinc/11/90/66/135119066.db2.gz RGFXNLVOOKHMCR-UHFFFAOYSA-N 1 0 229.755 2.094 20 30 BEEDRO C[NH+]=C(NC(C)C)N[C@@H]1C[C@H]1Cc1ccccc1 ZINC000262426033 135119143 /nfs/dbraw/zinc/11/91/43/135119143.db2.gz RPYVFISHYXCCGX-ZIAGYGMSSA-N 1 0 245.370 2.191 20 30 BEEDRO C[NH+]=C(N[C@H]1C[C@@H]1C)N(C)Cc1cccc(F)c1 ZINC000262567078 135119347 /nfs/dbraw/zinc/11/93/47/135119347.db2.gz LXXPIJYHHBLBFL-GWCFXTLKSA-N 1 0 249.333 2.241 20 30 BEEDRO C[NH+]=C(NCc1cccs1)N[C@@H]1CC1(C)C ZINC000262580840 135119417 /nfs/dbraw/zinc/11/94/17/135119417.db2.gz QMLKTBQOEQFBHV-SNVBAGLBSA-N 1 0 237.372 2.212 20 30 BEEDRO Cc1ccccc1C(C)(C)CNC1=[NH+]C[C@@H](C)N1 ZINC000262634316 135119879 /nfs/dbraw/zinc/11/98/79/135119879.db2.gz GJBQIYHZSPYMJU-GFCCVEGCSA-N 1 0 245.370 2.210 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC(C)(C)c2ccccc2F)N1 ZINC000262643438 135120349 /nfs/dbraw/zinc/12/03/49/135120349.db2.gz IHRHAGUXKRYUCS-JTQLQIEISA-N 1 0 249.333 2.041 20 30 BEEDRO C=CCNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000262657786 135120599 /nfs/dbraw/zinc/12/05/99/135120599.db2.gz VLQLFXREJWOCHF-AULYBMBSSA-N 1 0 247.317 2.162 20 30 BEEDRO Cc1oc2ccccc2c1CNC1=[NH+]C[C@@H](C)N1 ZINC000262683268 135121145 /nfs/dbraw/zinc/12/11/45/135121145.db2.gz XHWGSJMQKJIVTL-SECBINFHSA-N 1 0 243.310 2.179 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)N[C@@H]1CC1(C)C ZINC000262876982 135122915 /nfs/dbraw/zinc/12/29/15/135122915.db2.gz DXCMBPSIYZGKMC-LLVKDONJSA-N 1 0 235.331 2.133 20 30 BEEDRO C[NH+]=C(N[C@H](C)c1ccccc1)N[C@@H]1C[C@H]1C ZINC000262950414 135123509 /nfs/dbraw/zinc/12/35/09/135123509.db2.gz BRYJHZLHFDIKML-NQBHXWOUSA-N 1 0 231.343 2.321 20 30 BEEDRO C[NH+]=C(NC[C@H]1C[C@@H]1C)N1CCc2ccccc21 ZINC000263077306 135124109 /nfs/dbraw/zinc/12/41/09/135124109.db2.gz CRFPIQKHMFUXOG-WCQYABFASA-N 1 0 243.354 2.281 20 30 BEEDRO C[C@@H](O)C[N@H+](CCCC#N)C1CCCCC1 ZINC000078513106 135129324 /nfs/dbraw/zinc/12/93/24/135129324.db2.gz QDAUCSWNQYHPQD-GFCCVEGCSA-N 1 0 224.348 2.306 20 30 BEEDRO CCOc1cccc(CNC(=[NH2+])N[C@@H](C)CC)c1 ZINC000264063520 135131053 /nfs/dbraw/zinc/13/10/53/135131053.db2.gz AHJDWPPLTWVESX-NSHDSACASA-N 1 0 249.358 2.288 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C)c(OC)c1 ZINC000264077315 135131863 /nfs/dbraw/zinc/13/18/63/135131863.db2.gz GFZILFSDCXWZKQ-LLVKDONJSA-N 1 0 249.358 2.206 20 30 BEEDRO CCCCNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000264073973 135132060 /nfs/dbraw/zinc/13/20/60/135132060.db2.gz GTUYVGHJFVMFDK-UHFFFAOYSA-N 1 0 221.304 2.222 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCCc1ccccc1F ZINC000264085826 135132368 /nfs/dbraw/zinc/13/23/68/135132368.db2.gz JSCABGUAGIWTFC-JTQLQIEISA-N 1 0 237.322 2.071 20 30 BEEDRO C[NH+]=C(NCc1cccc(Cl)c1)NC1CC1 ZINC000264090195 135132524 /nfs/dbraw/zinc/13/25/24/135132524.db2.gz WMOAOQYABBXEEX-UHFFFAOYSA-N 1 0 237.734 2.167 20 30 BEEDRO CCCCCCNC(=[NH2+])NCc1ccccn1 ZINC000264134840 135135313 /nfs/dbraw/zinc/13/53/13/135135313.db2.gz UZRVFLUQEIUTSS-UHFFFAOYSA-N 1 0 234.347 2.066 20 30 BEEDRO CCC[N@H+](C)Cc1ccc(OCC#N)cc1 ZINC000264546964 135138857 /nfs/dbraw/zinc/13/88/57/135138857.db2.gz KAKWSPATOIRBFA-UHFFFAOYSA-N 1 0 218.300 2.431 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccc(OCC#N)cc2)C1 ZINC000264573237 135138941 /nfs/dbraw/zinc/13/89/41/135138941.db2.gz SKYWMOPEYDJQFA-LBPRGKRZSA-N 1 0 230.311 2.431 20 30 BEEDRO C[C@H]1C[C@H](C[NH+]2CCC(CC#N)CC2)CCO1 ZINC000260172189 135147422 /nfs/dbraw/zinc/14/74/22/135147422.db2.gz TYZPTGXMEHJCQA-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]CC[C@H](C)O ZINC000078781164 135150822 /nfs/dbraw/zinc/15/08/22/135150822.db2.gz SZXOWIPOJQOISW-LBPRGKRZSA-N 1 0 235.327 2.112 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)Oc1ccccc1C ZINC000267446610 135155123 /nfs/dbraw/zinc/15/51/23/135155123.db2.gz QDJJXPYZNTWODM-GFCCVEGCSA-N 1 0 249.358 2.077 20 30 BEEDRO CC[C@H](C)Oc1cc(C)ccc1CNC(=[NH2+])NC ZINC000268100907 135158091 /nfs/dbraw/zinc/15/80/91/135158091.db2.gz WSZZHRWOKLPTLC-NSHDSACASA-N 1 0 249.358 2.206 20 30 BEEDRO C[NH+](C)C1CCN(CCCC(C)(C)C#N)CC1 ZINC000087608499 135159267 /nfs/dbraw/zinc/15/92/67/135159267.db2.gz QMNFDOSOTNATQV-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO CC(C)C[NH+]1CCN(CCC(C)(C)C#N)CC1 ZINC000087595540 135159879 /nfs/dbraw/zinc/15/98/79/135159879.db2.gz UTVBCBHSYRLFRF-UHFFFAOYSA-N 1 0 237.391 2.200 20 30 BEEDRO C[C@@H]1CC[C@H]1NC(=[NH2+])Nc1ccccc1 ZINC000261533209 135164096 /nfs/dbraw/zinc/16/40/96/135164096.db2.gz KLQZFZANRKVHSL-MWLCHTKSSA-N 1 0 203.289 2.212 20 30 BEEDRO CC1=CC[N@H+](CCCSCC#N)CC1 ZINC000270317342 135170971 /nfs/dbraw/zinc/17/09/71/135170971.db2.gz JWJOUTGKQHFBPW-UHFFFAOYSA-N 1 0 210.346 2.285 20 30 BEEDRO Cc1nccn1CC[N@H+](CCC#N)CC(C)(C)C ZINC000270861378 135173680 /nfs/dbraw/zinc/17/36/80/135173680.db2.gz JYBJYMPFBASJCZ-UHFFFAOYSA-N 1 0 248.374 2.453 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(CC(F)F)c1)C1CC1 ZINC000293555650 135181552 /nfs/dbraw/zinc/18/15/52/135181552.db2.gz HOXNUSLTBMBRGQ-UHFFFAOYSA-N 1 0 241.285 2.299 20 30 BEEDRO C=CCOCC[N@H+]1CCc2c(F)cccc2C1 ZINC000293803457 135183603 /nfs/dbraw/zinc/18/36/03/135183603.db2.gz NMYFEMVTDPZPGJ-UHFFFAOYSA-N 1 0 235.302 2.386 20 30 BEEDRO CCc1noc(C)c1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000340444992 135184314 /nfs/dbraw/zinc/18/43/14/135184314.db2.gz RONGFSAESIKJAL-QWRGUYRKSA-N 1 0 233.315 2.327 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000353563642 135186705 /nfs/dbraw/zinc/18/67/05/135186705.db2.gz GAECYTNSQIUHOI-JQWIXIFHSA-N 1 0 235.327 2.430 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccccc1 ZINC000353571512 135189653 /nfs/dbraw/zinc/18/96/53/135189653.db2.gz VNQCYQBIBMRPEX-NMFUWQPSSA-N 1 0 231.339 2.315 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000298732123 135200563 /nfs/dbraw/zinc/20/05/63/135200563.db2.gz VHVHRZXGQKEFEY-RYUDHWBXSA-N 1 0 232.331 2.281 20 30 BEEDRO N#CCCCC[NH+]1CCN(Cc2ccco2)CC1 ZINC000299495203 135204377 /nfs/dbraw/zinc/20/43/77/135204377.db2.gz DTHOLNWMHMWHGJ-UHFFFAOYSA-N 1 0 247.342 2.091 20 30 BEEDRO Cc1ncccc1C[NH2+]CCCCC#N ZINC000163865336 135207783 /nfs/dbraw/zinc/20/77/83/135207783.db2.gz IJBPMXLMGRIRFJ-UHFFFAOYSA-N 1 0 203.289 2.174 20 30 BEEDRO C[C@H]([NH2+]CC1(O)CCC1)c1cccc(C#N)c1 ZINC000163951549 135211769 /nfs/dbraw/zinc/21/17/69/135211769.db2.gz XEVOUTFTUGAWPP-NSHDSACASA-N 1 0 230.311 2.124 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC2CCC(C)(C)CC2)N1 ZINC000261576350 135217439 /nfs/dbraw/zinc/21/74/39/135217439.db2.gz KHVLWYPZNSLBQG-JTQLQIEISA-N 1 0 223.364 2.140 20 30 BEEDRO C#CCOc1ccc(C[NH2+][C@@H](CC)COC)cc1 ZINC000120196940 135219002 /nfs/dbraw/zinc/21/90/02/135219002.db2.gz SNQXJFVHMFSWJV-AWEZNQCLSA-N 1 0 247.338 2.213 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](C)C(=O)OC ZINC000121100635 135221148 /nfs/dbraw/zinc/22/11/48/135221148.db2.gz MBLSXYXMRKNSMB-CYBMUJFWSA-N 1 0 247.338 2.484 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccccc1N(C)C ZINC000121134995 135221577 /nfs/dbraw/zinc/22/15/77/135221577.db2.gz DUEUHAFCTCWPNS-UHFFFAOYSA-N 1 0 204.317 2.370 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)c1ccccc1Cl ZINC000121513473 135223252 /nfs/dbraw/zinc/22/32/52/135223252.db2.gz ABROXLZEQGSUAU-LBPRGKRZSA-N 1 0 225.719 2.491 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000121520381 135224703 /nfs/dbraw/zinc/22/47/03/135224703.db2.gz LPHFPIYFGJXCAM-ZDUSSCGKSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000340696309 135226621 /nfs/dbraw/zinc/22/66/21/135226621.db2.gz LHGHQLSPICBOER-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@]1(O)CCSC1 ZINC000122396742 135227291 /nfs/dbraw/zinc/22/72/91/135227291.db2.gz JNEFOKSUUMAIGX-NWDGAFQWSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@]1(O)CCSC1 ZINC000122397163 135227615 /nfs/dbraw/zinc/22/76/15/135227615.db2.gz JNEFOKSUUMAIGX-RYUDHWBXSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000340940294 135231500 /nfs/dbraw/zinc/23/15/00/135231500.db2.gz NGKXJSHIPGFRTI-VXGBXAGGSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000341137640 135234172 /nfs/dbraw/zinc/23/41/72/135234172.db2.gz PGYPMAUZNNGABX-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000341264166 135235297 /nfs/dbraw/zinc/23/52/97/135235297.db2.gz GUWTUFMHHQDIHJ-GFCCVEGCSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(COC)cc1 ZINC000341311860 135236964 /nfs/dbraw/zinc/23/69/64/135236964.db2.gz IQKCHCZSLBQTHH-OAHLLOKOSA-N 1 0 249.354 2.107 20 30 BEEDRO Cc1cnc(C[NH2+]CC2CCC(C#N)CC2)n1C ZINC000341342724 135237062 /nfs/dbraw/zinc/23/70/62/135237062.db2.gz MJGYFSLHULSWLC-UHFFFAOYSA-N 1 0 246.358 2.148 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(OCC)c1 ZINC000341313108 135237104 /nfs/dbraw/zinc/23/71/04/135237104.db2.gz JKFKEUYLGUTMCS-CQSZACIVSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCN(C(C)=O)CC1 ZINC000341442599 135237563 /nfs/dbraw/zinc/23/75/63/135237563.db2.gz SMBAMFVZXGQJMF-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341797710 135242242 /nfs/dbraw/zinc/24/22/42/135242242.db2.gz LFWXSGOWHWURCY-OCCSQVGLSA-N 1 0 238.375 2.141 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CCCC(F)(F)C1)N(C)C ZINC000261656636 135243535 /nfs/dbraw/zinc/24/35/35/135243535.db2.gz FWNRTMDPTOPJSL-SNVBAGLBSA-N 1 0 247.333 2.291 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCc2ccccc21 ZINC000341882502 135244036 /nfs/dbraw/zinc/24/40/36/135244036.db2.gz HFCUGOUAFWXZFS-IUODEOHRSA-N 1 0 231.339 2.448 20 30 BEEDRO C=CCCO[C@H](C)c1nc(C2([NH3+])CCC2)no1 ZINC000261671089 135245185 /nfs/dbraw/zinc/24/51/85/135245185.db2.gz GFSFLLKWSYWLRZ-SECBINFHSA-N 1 0 237.303 2.061 20 30 BEEDRO CC#CCCCC(=O)NCC[N@@H+](C)CCCC ZINC000342006942 135245264 /nfs/dbraw/zinc/24/52/64/135245264.db2.gz QVMBGOMHTRBCJM-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000342052702 135247162 /nfs/dbraw/zinc/24/71/62/135247162.db2.gz UZYRIKRKZYEXMP-AVGNSLFASA-N 1 0 238.375 2.140 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342075410 135247900 /nfs/dbraw/zinc/24/79/00/135247900.db2.gz XJLVJGCERUKTKB-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO CC[C@H]1CO[C@H](C)C[N@@H+]1CCCSCC#N ZINC000342086547 135249636 /nfs/dbraw/zinc/24/96/36/135249636.db2.gz CVYUCBDGKCVTTJ-NEPJUHHUSA-N 1 0 242.388 2.133 20 30 BEEDRO CC#CCC[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)OC)C1 ZINC000342148108 135250472 /nfs/dbraw/zinc/25/04/72/135250472.db2.gz GSXZCISVYMSZSC-UKRRQHHQSA-N 1 0 249.354 2.065 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342154757 135251161 /nfs/dbraw/zinc/25/11/61/135251161.db2.gz NFGVRXDFFOAPHQ-JSGCOSHPSA-N 1 0 237.343 2.228 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342154758 135251351 /nfs/dbraw/zinc/25/13/51/135251351.db2.gz NFGVRXDFFOAPHQ-OCCSQVGLSA-N 1 0 237.343 2.228 20 30 BEEDRO CC(C)n1cc(C[NH2+]CC(C)(C)CCC#N)nn1 ZINC000342279358 135255415 /nfs/dbraw/zinc/25/54/15/135255415.db2.gz DTRMLVXWKPKPJI-UHFFFAOYSA-N 1 0 249.362 2.279 20 30 BEEDRO C=CCCC(=O)N(CCC)CC[NH+]1CCCC1 ZINC000342273917 135260656 /nfs/dbraw/zinc/26/06/56/135260656.db2.gz VJGTZCPNLFOQBU-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@H](C)C1 ZINC000261975332 135268588 /nfs/dbraw/zinc/26/85/88/135268588.db2.gz FPWMHOSFSYJERS-RYUDHWBXSA-N 1 0 223.364 2.293 20 30 BEEDRO C[C@@H]1CCCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000261979806 135269147 /nfs/dbraw/zinc/26/91/47/135269147.db2.gz HLOZCAWZEBOJEB-VXGBXAGGSA-N 1 0 225.380 2.292 20 30 BEEDRO C[C@@H]1CCC[C@H](C[NH+]=C(N(C)C)N(C)C)C1 ZINC000261986377 135269352 /nfs/dbraw/zinc/26/93/52/135269352.db2.gz KDJMIQAZWKGDGB-NEPJUHHUSA-N 1 0 225.380 2.292 20 30 BEEDRO C=CCOc1ccc(CN2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261924591 135269586 /nfs/dbraw/zinc/26/95/86/135269586.db2.gz BZLLEHPOXCEUDU-WFASDCNBSA-N 1 0 246.354 2.030 20 30 BEEDRO CCC1(CC)CCN(C(NC2CC2)=[NH+]C)C1 ZINC000262002170 135271032 /nfs/dbraw/zinc/27/10/32/135271032.db2.gz USOYEDXFJISKIM-UHFFFAOYSA-N 1 0 223.364 2.236 20 30 BEEDRO CC(C)NC(=[NH2+])NC1CC(C)(c2ccccc2)C1 ZINC000262107712 135279876 /nfs/dbraw/zinc/27/98/76/135279876.db2.gz IEWNYLJOSTWNQI-UHFFFAOYSA-N 1 0 245.370 2.419 20 30 BEEDRO C=CCN(CC1CC[NH2+]CC1)CC(F)(F)F ZINC000262218967 135285338 /nfs/dbraw/zinc/28/53/38/135285338.db2.gz MKQULWPGENKFNJ-UHFFFAOYSA-N 1 0 236.281 2.036 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H](COC)C1 ZINC000342573111 135291139 /nfs/dbraw/zinc/29/11/39/135291139.db2.gz UNJWKKJIQKESND-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCNC(N[C@@H]1C[C@@H]1C1CCCCC1)=[NH+]C ZINC000262330489 135293002 /nfs/dbraw/zinc/29/30/02/135293002.db2.gz AUGRUMSPJULSPB-CHWSQXEVSA-N 1 0 235.375 2.306 20 30 BEEDRO CC#CC[N@H+](Cc1ccccc1)[C@H](CC)CO ZINC000342635397 135298294 /nfs/dbraw/zinc/29/82/94/135298294.db2.gz KAOWPXXAPSYZAM-OAHLLOKOSA-N 1 0 231.339 2.283 20 30 BEEDRO C/[NH+]=C(/N(C)C)N1CC[C@@H](c2ccccc2C)C1 ZINC000262480127 135301509 /nfs/dbraw/zinc/30/15/09/135301509.db2.gz RGWKSWCMSUJGME-JFVSRZABSA-N 1 0 245.370 2.332 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1C(C)(C)C1(C)C ZINC000262506111 135302997 /nfs/dbraw/zinc/30/29/97/135302997.db2.gz ZUYZLPOXIUDSDY-UHFFFAOYSA-N 1 0 223.364 2.149 20 30 BEEDRO C[N@H+](CCCSCC#N)CC[C@H]1CCCO1 ZINC000342612725 135303424 /nfs/dbraw/zinc/30/34/24/135303424.db2.gz YXONTFJDMNGSKP-GFCCVEGCSA-N 1 0 242.388 2.134 20 30 BEEDRO CN1CC[NH+]=C1NCc1cc2ccccc2s1 ZINC000262651281 135310758 /nfs/dbraw/zinc/31/07/58/135310758.db2.gz KNLBQLVESJEIBX-UHFFFAOYSA-N 1 0 245.351 2.292 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc(C3CC3)cc2)N1 ZINC000262653251 135311198 /nfs/dbraw/zinc/31/11/98/135311198.db2.gz KXCUBVBSKOQFBO-JTQLQIEISA-N 1 0 229.327 2.001 20 30 BEEDRO CN1CC[NH+]=C1NCCC1=CCCCCC1 ZINC000262664378 135311614 /nfs/dbraw/zinc/31/16/14/135311614.db2.gz OBBBPSQLUYWRPQ-UHFFFAOYSA-N 1 0 221.348 2.158 20 30 BEEDRO CC(C)C1CCC(CNC2=[NH+]CCN2C)CC1 ZINC000262661843 135311821 /nfs/dbraw/zinc/31/18/21/135311821.db2.gz NDCKMXHIPPKXIK-UHFFFAOYSA-N 1 0 237.391 2.340 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC2(C)CCCCCC2)N1 ZINC000262683077 135312708 /nfs/dbraw/zinc/31/27/08/135312708.db2.gz XEHXUDLDJLAODS-LLVKDONJSA-N 1 0 223.364 2.284 20 30 BEEDRO CN1CC[NH+]=C1NC[C@H]1CCCCC(F)(F)C1 ZINC000262703140 135315112 /nfs/dbraw/zinc/31/51/12/135315112.db2.gz LIGAKRQIAXGNNJ-JTQLQIEISA-N 1 0 245.317 2.093 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000262772917 135317222 /nfs/dbraw/zinc/31/72/22/135317222.db2.gz VCWARTAXMDYCQJ-NWDGAFQWSA-N 1 0 224.348 2.071 20 30 BEEDRO C=CCNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2F)C1 ZINC000262769601 135317527 /nfs/dbraw/zinc/31/75/27/135317527.db2.gz HAUQWPLXAHUGEE-XYPYZODXSA-N 1 0 247.317 2.162 20 30 BEEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])Nc1ccccc1 ZINC000262794020 135319365 /nfs/dbraw/zinc/31/93/65/135319365.db2.gz LHXNAOBCXKRURH-MWLCHTKSSA-N 1 0 203.289 2.212 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCC=CO1)Nc1ccccc1 ZINC000262837728 135320606 /nfs/dbraw/zinc/32/06/06/135320606.db2.gz SUZXUYUFQMSCJC-LBPRGKRZSA-N 1 0 231.299 2.106 20 30 BEEDRO CN(C)C(=[NH+]CC(C)(C)C1CCC1)N(C)C ZINC000263043605 135328723 /nfs/dbraw/zinc/32/87/23/135328723.db2.gz CPMACAMZEVEXDQ-UHFFFAOYSA-N 1 0 225.380 2.292 20 30 BEEDRO [NH2+]=C(NCC1CCC(F)(F)CC1)NC1CCC1 ZINC000263046827 135328762 /nfs/dbraw/zinc/32/87/62/135328762.db2.gz DAZKNMVNXAMSSJ-UHFFFAOYSA-N 1 0 245.317 2.269 20 30 BEEDRO CN1CCC[NH+]=C1NCc1ccc(C2CC2)cc1 ZINC000263056232 135329619 /nfs/dbraw/zinc/32/96/19/135329619.db2.gz FAEFNGDTOGDDAY-UHFFFAOYSA-N 1 0 243.354 2.345 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CCC1)N1CCCCCC1 ZINC000263051792 135329778 /nfs/dbraw/zinc/32/97/78/135329778.db2.gz KVACKVRYPGDZDD-QWHCGFSZSA-N 1 0 235.375 2.366 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@]1(F)c1ccccc1)N(C)C ZINC000263054529 135329895 /nfs/dbraw/zinc/32/98/95/135329895.db2.gz LNYPEKNPDTUIGW-JSGCOSHPSA-N 1 0 249.333 2.103 20 30 BEEDRO CN(C)C(=[NH+][C@H]1C[C@@]1(F)c1ccccc1)N(C)C ZINC000263054527 135330094 /nfs/dbraw/zinc/33/00/94/135330094.db2.gz LNYPEKNPDTUIGW-GXTWGEPZSA-N 1 0 249.333 2.103 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CCC[C@H]1C1CC1)N(C)C ZINC000263065551 135330277 /nfs/dbraw/zinc/33/02/77/135330277.db2.gz GEALWOILBAQGJG-STQMWFEESA-N 1 0 237.391 2.292 20 30 BEEDRO CC[C@H]1CCCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263066678 135330532 /nfs/dbraw/zinc/33/05/32/135330532.db2.gz GFDFFWWBZQTXDE-STQMWFEESA-N 1 0 237.391 2.484 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H]1C1CC1 ZINC000263081045 135331288 /nfs/dbraw/zinc/33/12/88/135331288.db2.gz HQNDGILHTVZVJG-CHWSQXEVSA-N 1 0 237.391 2.373 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2cc(C3CC3)ccc2F)N1 ZINC000263104193 135333204 /nfs/dbraw/zinc/33/32/04/135333204.db2.gz KKANJJOEFTXUSM-SECBINFHSA-N 1 0 247.317 2.140 20 30 BEEDRO CC(C)[C@]1(C)C[C@@H]1NC(=[NH2+])NCC1CCC1 ZINC000263111177 135333623 /nfs/dbraw/zinc/33/36/23/135333623.db2.gz LCUAJTFWHTVOFK-AAEUAGOBSA-N 1 0 223.364 2.125 20 30 BEEDRO CN1CCC[NH+]=C1NC[C@@H]1CCCC(C)(C)C1 ZINC000263106301 135333688 /nfs/dbraw/zinc/33/36/88/135333688.db2.gz KOGNOPNTSNSTDB-GFCCVEGCSA-N 1 0 237.391 2.484 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H]1CC ZINC000263122926 135333916 /nfs/dbraw/zinc/33/39/16/135333916.db2.gz MFGKCNFQALMLLT-NWDGAFQWSA-N 1 0 223.364 2.293 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCCC1(F)F ZINC000263169506 135337259 /nfs/dbraw/zinc/33/72/59/135337259.db2.gz RVFBYHZOXPHULR-SNVBAGLBSA-N 1 0 245.317 2.292 20 30 BEEDRO CC[C@H]1CCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263185838 135337972 /nfs/dbraw/zinc/33/79/72/135337972.db2.gz UWBXASFXAOEXGH-NWDGAFQWSA-N 1 0 223.364 2.094 20 30 BEEDRO CC1(C)CCC[C@H](CNC(=[NH2+])N2CCC2)C1 ZINC000263195377 135338860 /nfs/dbraw/zinc/33/88/60/135338860.db2.gz WIFZVHJBQSUJLH-NSHDSACASA-N 1 0 223.364 2.223 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCC1 ZINC000263215504 135340032 /nfs/dbraw/zinc/34/00/32/135340032.db2.gz ZWGXFZTVCFQVLA-NWDGAFQWSA-N 1 0 249.745 2.216 20 30 BEEDRO [NH2+]=C(NC1CC(F)(F)C1)NC1CCCCCC1 ZINC000263281955 135344518 /nfs/dbraw/zinc/34/45/18/135344518.db2.gz SDFDRCIUVXDTMY-UHFFFAOYSA-N 1 0 245.317 2.411 20 30 BEEDRO CCOCCCCNC(=[NH2+])Nc1ccccc1 ZINC000264092946 135361991 /nfs/dbraw/zinc/36/19/91/135361991.db2.gz LRWDFIWTWHLBJA-UHFFFAOYSA-N 1 0 235.331 2.230 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cc(OC)cc(OC)c1 ZINC000265995162 135363579 /nfs/dbraw/zinc/36/35/79/135363579.db2.gz LKWLYLPEBNENSB-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C#N)C1)c1cn[nH]c1 ZINC000278658098 135367675 /nfs/dbraw/zinc/36/76/75/135367675.db2.gz IOATXUPJIITETG-HOSYDEDBSA-N 1 0 218.304 2.143 20 30 BEEDRO C[N@H+](Cc1cccnc1)[C@@H]1CC[C@@H](C#N)C1 ZINC000334349291 135368035 /nfs/dbraw/zinc/36/80/35/135368035.db2.gz AAGYTKSGQZELHI-DGCLKSJQSA-N 1 0 215.300 2.206 20 30 BEEDRO Cn1ccc(C[NH2+][C@@H]2CCC[C@H](C#N)C2)c1 ZINC000278854378 135369132 /nfs/dbraw/zinc/36/91/32/135369132.db2.gz VUSYRRIEWVGXQJ-WCQYABFASA-N 1 0 217.316 2.197 20 30 BEEDRO CC#CC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000287114674 135372460 /nfs/dbraw/zinc/37/24/60/135372460.db2.gz YSLQXIKXVISRIL-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO C[C@H]([NH2+]CCOCCC#N)c1ccc(C#N)cc1 ZINC000293922515 135377526 /nfs/dbraw/zinc/37/75/26/135377526.db2.gz YCIUHUAEWVJNRA-LBPRGKRZSA-N 1 0 243.310 2.139 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC000295066379 135378538 /nfs/dbraw/zinc/37/85/38/135378538.db2.gz RPTFQYURIOPUDC-CYBMUJFWSA-N 1 0 248.345 2.431 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)c1ccccc1F ZINC000295090365 135378575 /nfs/dbraw/zinc/37/85/75/135378575.db2.gz UUYAPYMAJNTFJJ-ZDUSSCGKSA-N 1 0 248.345 2.431 20 30 BEEDRO Cn1cccc1C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000294912497 135379308 /nfs/dbraw/zinc/37/93/08/135379308.db2.gz AIIHXSQEFMPOGH-RYUDHWBXSA-N 1 0 217.316 2.197 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000164559789 135397425 /nfs/dbraw/zinc/39/74/25/135397425.db2.gz HULJFPNAXJAMCC-NWDGAFQWSA-N 1 0 226.364 2.313 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000334436177 135407735 /nfs/dbraw/zinc/40/77/35/135407735.db2.gz ZVXQLCQEJCQZBG-HIFRSBDPSA-N 1 0 242.322 2.314 20 30 BEEDRO Cn1cc(C[NH2+][C@]2(C)CC=CCC2)cc1C#N ZINC000335239015 135410834 /nfs/dbraw/zinc/41/08/34/135410834.db2.gz FICNUXYZKSTWTB-CQSZACIVSA-N 1 0 229.327 2.485 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C1CCC(O)CC1 ZINC000090800590 135554147 /nfs/dbraw/zinc/55/41/47/135554147.db2.gz NKTYUAYLJMGZRC-IALDZJHCSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C[C@@H](C)CCO)cc1 ZINC000097436066 135631286 /nfs/dbraw/zinc/63/12/86/135631286.db2.gz WQUSRNHQZYPPMV-ZDUSSCGKSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000344304926 135760008 /nfs/dbraw/zinc/76/00/08/135760008.db2.gz OKPLYGVDGXOROL-OCCSQVGLSA-N 1 0 244.338 2.393 20 30 BEEDRO N#CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000346805702 135972192 /nfs/dbraw/zinc/97/21/92/135972192.db2.gz ZKHOIYGJMRUUQM-XQQFMLRXSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000347971868 136022911 /nfs/dbraw/zinc/02/29/11/136022911.db2.gz ZNCSBJLIFDQLMC-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000348057758 136023807 /nfs/dbraw/zinc/02/38/07/136023807.db2.gz PJNOBQDQPHVUPV-AWEZNQCLSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCCC[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000348036535 136028178 /nfs/dbraw/zinc/02/81/78/136028178.db2.gz PNLMJHXVUIYXRO-RYUDHWBXSA-N 1 0 229.389 2.405 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCc1nccs1 ZINC000348056993 136031806 /nfs/dbraw/zinc/03/18/06/136031806.db2.gz RQXDYJJZPDGMNO-UHFFFAOYSA-N 1 0 240.372 2.210 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@](C)(F)C1 ZINC000348055350 136032156 /nfs/dbraw/zinc/03/21/56/136032156.db2.gz PUTOIFYAJKIIKB-NSHDSACASA-N 1 0 201.285 2.013 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000348105759 136036426 /nfs/dbraw/zinc/03/64/26/136036426.db2.gz QQZMVXWSMZSKEY-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000348105760 136036809 /nfs/dbraw/zinc/03/68/09/136036809.db2.gz QQZMVXWSMZSKEY-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348114107 136037715 /nfs/dbraw/zinc/03/77/15/136037715.db2.gz GOADMOZDHBDKPT-DTWKUNHWSA-N 1 0 205.248 2.312 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@]1(CO)CCC ZINC000348174334 136042590 /nfs/dbraw/zinc/04/25/90/136042590.db2.gz BVJSABDYYHYEHD-CQSZACIVSA-N 1 0 241.375 2.206 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H]2C(F)F)c1 ZINC000348213671 136045762 /nfs/dbraw/zinc/04/57/62/136045762.db2.gz AANKOBYHRKUZKU-MNOVXSKESA-N 1 0 222.238 2.301 20 30 BEEDRO C=CCOCCC[N@@H+]1CCO[C@](C)(CC)C1 ZINC000348195866 136050973 /nfs/dbraw/zinc/05/09/73/136050973.db2.gz ZJCHBDCVJXWYLZ-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[N@H+]1CCSC[C@@H](C)C1 ZINC000348195391 136051151 /nfs/dbraw/zinc/05/11/51/136051151.db2.gz WIUHLMMPLCZTRU-LBPRGKRZSA-N 1 0 229.389 2.264 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H]2C(F)F)c1 ZINC000348233065 136060602 /nfs/dbraw/zinc/06/06/02/136060602.db2.gz UQBCTRBXRSZBNO-DTWKUNHWSA-N 1 0 228.267 2.363 20 30 BEEDRO N#CCCCC[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348233049 136061055 /nfs/dbraw/zinc/06/10/55/136061055.db2.gz UOBDSZZDBKKMQS-VHSXEESVSA-N 1 0 232.274 2.430 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H]2C(F)F)C1 ZINC000348233074 136061060 /nfs/dbraw/zinc/06/10/60/136061060.db2.gz URAQPNPSOBJTKA-XFWSIPNHSA-N 1 0 214.259 2.312 20 30 BEEDRO C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000348296928 136062789 /nfs/dbraw/zinc/06/27/89/136062789.db2.gz YGNUBTFXAAXMAF-GHMZBOCLSA-N 1 0 249.333 2.298 20 30 BEEDRO C=CCN1CC[C@H]([N@H+]2CCCCC[C@H]2C)C1=O ZINC000335344512 136065535 /nfs/dbraw/zinc/06/55/35/136065535.db2.gz KYWOWFIPMZGPMU-OLZOCXBDSA-N 1 0 236.359 2.038 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCOCC3(CCC3)C2)C1 ZINC000335350949 136068928 /nfs/dbraw/zinc/06/89/28/136068928.db2.gz WUBRCEOUMDWDAA-CHWSQXEVSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[N@@H+](CCCc1cnccc1C)CCOC ZINC000348412530 136077752 /nfs/dbraw/zinc/07/77/52/136077752.db2.gz SBJMDYDRZBVQHJ-UHFFFAOYSA-N 1 0 248.370 2.457 20 30 BEEDRO C=CCOCCC[N@@H+]1CCCSCC1 ZINC000348467235 136079925 /nfs/dbraw/zinc/07/99/25/136079925.db2.gz HUILAFXCZHTBIX-UHFFFAOYSA-N 1 0 215.362 2.018 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000335366434 136081486 /nfs/dbraw/zinc/08/14/86/136081486.db2.gz ATTCBUIOPQKYMT-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2CCC[C@H](F)C2)n1 ZINC000335387076 136089164 /nfs/dbraw/zinc/08/91/64/136089164.db2.gz QOGWDRNUBHSCPI-DTWKUNHWSA-N 1 0 239.319 2.385 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2CCC[C@@H](F)C2)n1 ZINC000335387075 136089406 /nfs/dbraw/zinc/08/94/06/136089406.db2.gz QOGWDRNUBHSCPI-BDAKNGLRSA-N 1 0 239.319 2.385 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CC(C)(C(N)=O)C1 ZINC000335398142 136093394 /nfs/dbraw/zinc/09/33/94/136093394.db2.gz RZFWIPIKYRVXPQ-JTQLQIEISA-N 1 0 243.310 2.476 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)[C@H]1CCC[C@@H]1O ZINC000348554532 136096458 /nfs/dbraw/zinc/09/64/58/136096458.db2.gz YPAQMJJVFUIOTF-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](NC1CC[NH2+]CC1)c1ccc(C#N)c(F)c1 ZINC000335567927 136108401 /nfs/dbraw/zinc/10/84/01/136108401.db2.gz IMFPXCPOFLEJTQ-SNVBAGLBSA-N 1 0 247.317 2.100 20 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CC[NH+](CC)CCSc1ncccc1C#N ZINC000088734141 397932830 /nfs/dbraw/zinc/93/28/30/397932830.db2.gz LDYVBEABAAHLJY-UHFFFAOYSA-N 1 0 235.356 2.387 20 30 BEEDRO Cc1cccc([C@@H](C)[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592151463 397944923 /nfs/dbraw/zinc/94/49/23/397944923.db2.gz PHLPLQCHJHGWPJ-UKRRQHHQSA-N 1 0 244.338 2.407 20 30 BEEDRO CCC1(C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000336722439 397949271 /nfs/dbraw/zinc/94/92/71/397949271.db2.gz DYLPLNXZLKWEKM-UHFFFAOYSA-N 1 0 221.329 2.295 20 30 BEEDRO CC1=CCC[C@H](C)[C@H]1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523098 397950497 /nfs/dbraw/zinc/95/04/97/397950497.db2.gz VRHIFLHCPJDFRY-SOUVJXGZSA-N 1 0 248.370 2.329 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2cccnc2o1 ZINC000449261249 397952971 /nfs/dbraw/zinc/95/29/71/397952971.db2.gz ZIPOFGWHCVXZNQ-UHFFFAOYSA-N 1 0 202.257 2.446 20 30 BEEDRO C=C(C[NH2+]Cc1cnn(C)c1)c1ccccc1 ZINC000111356968 397905906 /nfs/dbraw/zinc/90/59/06/397905906.db2.gz OEEOXFGHGAQSNV-UHFFFAOYSA-N 1 0 227.311 2.223 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000491506608 398044252 /nfs/dbraw/zinc/04/42/52/398044252.db2.gz QLMSHPZIRHNKFM-NSHDSACASA-N 1 0 248.301 2.108 20 30 BEEDRO CC(C)CC[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623385 397993253 /nfs/dbraw/zinc/99/32/53/397993253.db2.gz OOQVKEGIGXRPMC-KBPBESRZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC1(C#N)CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000599005127 398038706 /nfs/dbraw/zinc/03/87/06/398038706.db2.gz CCAPJXZLINWQES-UHFFFAOYSA-N 1 0 245.326 2.349 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cc(F)ccc1O ZINC000272291454 397977416 /nfs/dbraw/zinc/97/74/16/397977416.db2.gz OGKBOIVZKZTKDP-VIFPVBQESA-N 1 0 222.263 2.123 20 30 BEEDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)O1 ZINC000595080263 397980470 /nfs/dbraw/zinc/98/04/70/397980470.db2.gz PRLPDZNMGVRUHD-FDYHWXHSSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1C[C@H]1CCCN1C ZINC000649595065 397982382 /nfs/dbraw/zinc/98/23/82/397982382.db2.gz ZUFVNTGWKOWVFP-QWHCGFSZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN1C ZINC000649595063 397982443 /nfs/dbraw/zinc/98/24/43/397982443.db2.gz ZUFVNTGWKOWVFP-CHWSQXEVSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000451774046 397983622 /nfs/dbraw/zinc/98/36/22/397983622.db2.gz DHEKNXZHLVOHFR-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185858357 398061019 /nfs/dbraw/zinc/06/10/19/398061019.db2.gz LUUWYTABNMKVAZ-QWHCGFSZSA-N 1 0 222.332 2.251 20 30 BEEDRO COC(C)(C)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185854954 398061090 /nfs/dbraw/zinc/06/10/90/398061090.db2.gz KSTSWDFTRBTIAC-MNOVXSKESA-N 1 0 210.321 2.083 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@](C)(COC)C1 ZINC000649765585 398093606 /nfs/dbraw/zinc/09/36/06/398093606.db2.gz DOJLMXXEBBDHBX-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2ncccc2c1 ZINC000491795761 398071978 /nfs/dbraw/zinc/07/19/78/398071978.db2.gz XBJLHQGFMROJCS-UHFFFAOYSA-N 1 0 210.280 2.300 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](C)(COC)C1 ZINC000649765584 398093647 /nfs/dbraw/zinc/09/36/47/398093647.db2.gz DOJLMXXEBBDHBX-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cccc(C#N)n1 ZINC000602481736 398075368 /nfs/dbraw/zinc/07/53/68/398075368.db2.gz DDQJPJYDIQXYLY-QWRGUYRKSA-N 1 0 215.300 2.326 20 30 BEEDRO COCC[C@H](C)C[NH2+]C1CCC(C#N)CC1 ZINC000602699707 398077640 /nfs/dbraw/zinc/07/76/40/398077640.db2.gz ZWGIFNSLYFEGEV-HIFPTAJRSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCCSCC[NH2+]C[C@H](OC)C1CC1 ZINC000602709909 398079261 /nfs/dbraw/zinc/07/92/61/398079261.db2.gz KAOWCRFFLXHEMW-LBPRGKRZSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCCSCC[NH2+]CCC[C@H]1CCO1 ZINC000602709926 398079392 /nfs/dbraw/zinc/07/93/92/398079392.db2.gz KSIVIDKUOPAZSZ-LBPRGKRZSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CCCSCC[NH2+]CCC[C@@H]1CCO1 ZINC000602709925 398079416 /nfs/dbraw/zinc/07/94/16/398079416.db2.gz KSIVIDKUOPAZSZ-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000185212871 398090554 /nfs/dbraw/zinc/09/05/54/398090554.db2.gz SCVJTYUSNXHSPP-NSHDSACASA-N 1 0 240.347 2.065 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC(C)(C)OC[C@@H]1CC ZINC000649716166 398057610 /nfs/dbraw/zinc/05/76/10/398057610.db2.gz VUVWSCQHBWYOOO-STQMWFEESA-N 1 0 241.375 2.203 20 30 BEEDRO C#CCN(Cc1ncc(CC)s1)C1CC1 ZINC000491669419 398057697 /nfs/dbraw/zinc/05/76/97/398057697.db2.gz XNJJOCPCSVWMQM-UHFFFAOYSA-N 1 0 220.341 2.303 20 30 BEEDRO C=CCCCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785055 398101508 /nfs/dbraw/zinc/10/15/08/398101508.db2.gz UKGMIBDUCVBJCB-UHFFFAOYSA-N 1 0 248.374 2.346 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000650313300 398101547 /nfs/dbraw/zinc/10/15/47/398101547.db2.gz IGUBXWBVAUCIMW-GZBLMMOJSA-N 1 0 235.371 2.291 20 30 BEEDRO C=CCN(CCC#N)C[C@@H](O)c1ccc(F)cc1 ZINC000292152676 398101783 /nfs/dbraw/zinc/10/17/83/398101783.db2.gz KGQIZMLNQYWGMG-CQSZACIVSA-N 1 0 248.301 2.261 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](CC(C)(C)C)C1 ZINC000650334672 398117639 /nfs/dbraw/zinc/11/76/39/398117639.db2.gz MGGJONGEEQRWSN-CYBMUJFWSA-N 1 0 223.360 2.394 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH+]1C2CCC1CC2 ZINC000522138266 398110722 /nfs/dbraw/zinc/11/07/22/398110722.db2.gz VSJNYCQJZQEEJZ-UNXYVOJBSA-N 1 0 203.289 2.057 20 30 BEEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000528517213 398124473 /nfs/dbraw/zinc/12/44/73/398124473.db2.gz HDDMWVPMVXFYPB-MJBXVCDLSA-N 1 0 248.370 2.163 20 30 BEEDRO CCN(CCC#N)Cc1ccncc1C ZINC000294628040 398128928 /nfs/dbraw/zinc/12/89/28/398128928.db2.gz ZXSGCIAGHSOKNS-UHFFFAOYSA-N 1 0 203.289 2.126 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001172500207 974854461 /nfs/dbraw/zinc/85/44/61/974854461.db2.gz KMNRMNYEMSBWSV-STQMWFEESA-N 1 0 222.332 2.324 20 30 BEEDRO C=CC[NH2+]CCN1CCC2(CCCC2)CC1 ZINC000062958953 1172794055 /nfs/dbraw/zinc/79/40/55/1172794055.db2.gz USDBXDDOTJTJIL-UHFFFAOYSA-N 1 0 222.376 2.418 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@H](C)[C@H](C)CC)CC1 ZINC001648149213 1172801106 /nfs/dbraw/zinc/80/11/06/1172801106.db2.gz YYPQAYABAPBPEK-CHWSQXEVSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CCC[N@@H+]1CCc2nc(N(C)C)sc2C1 ZINC001648208103 1172810154 /nfs/dbraw/zinc/81/01/54/1172810154.db2.gz HTXRNGIAOHCQBJ-UHFFFAOYSA-N 1 0 237.372 2.143 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1c1cc(C)n[nH]1 ZINC001648429382 1172831459 /nfs/dbraw/zinc/83/14/59/1172831459.db2.gz FLGFXVTXYUMQBR-CYBMUJFWSA-N 1 0 217.316 2.268 20 30 BEEDRO C#C[C@@H]1CCCCN1CCC[NH+](CC)CC ZINC001648562945 1172850156 /nfs/dbraw/zinc/85/01/56/1172850156.db2.gz CLWBQKPWLJJIMX-CQSZACIVSA-N 1 0 222.376 2.206 20 30 BEEDRO C#C[C@H]1CCCCN1CCC[NH+](CC)CC ZINC001648562944 1172852023 /nfs/dbraw/zinc/85/20/23/1172852023.db2.gz CLWBQKPWLJJIMX-AWEZNQCLSA-N 1 0 222.376 2.206 20 30 BEEDRO C[C@H](CCC#N)[NH+]1CCC(c2cncn2C)CC1 ZINC001648645013 1172860835 /nfs/dbraw/zinc/86/08/35/1172860835.db2.gz MQKOLQKSAMUQEM-GFCCVEGCSA-N 1 0 246.358 2.292 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCCF ZINC001649450815 1172875598 /nfs/dbraw/zinc/87/55/98/1172875598.db2.gz AZNMENYNMPQDRP-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(CC(N)=O)cc1 ZINC000685657061 487571216 /nfs/dbraw/zinc/57/12/16/487571216.db2.gz RPTOXLMFXSGFAI-LBPRGKRZSA-N 1 0 246.354 2.159 20 30 BEEDRO C=CC[N@@H+](CCc1ccccc1)C[C@@H](C)CO ZINC000120724116 490068063 /nfs/dbraw/zinc/06/80/63/490068063.db2.gz URZKDCHNYVEKIR-CQSZACIVSA-N 1 0 233.355 2.346 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccc(CO)o2)cc1 ZINC001651099365 1172923559 /nfs/dbraw/zinc/92/35/59/1172923559.db2.gz IWKBEZFIIKYIOE-UHFFFAOYSA-N 1 0 241.290 2.043 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CC)c1c(C)noc1C ZINC000680403050 487587788 /nfs/dbraw/zinc/58/77/88/487587788.db2.gz HPTJILLFGJEDKD-NWDGAFQWSA-N 1 0 238.331 2.269 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000680421515 487590265 /nfs/dbraw/zinc/59/02/65/487590265.db2.gz SROGWLWYVTYFFH-WCQYABFASA-N 1 0 237.347 2.052 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000279202517 166110993 /nfs/dbraw/zinc/11/09/93/166110993.db2.gz GDXBNRNLUAUDRW-UHFFFAOYSA-N 1 0 232.283 2.438 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000279252668 166112035 /nfs/dbraw/zinc/11/20/35/166112035.db2.gz LIAHKMLHPWRRLX-OAHLLOKOSA-N 1 0 245.366 2.324 20 30 BEEDRO CC[C@@H]1C[C@H](C[N@H+](C)[C@@H](C)CC#N)CCO1 ZINC000356989381 487595409 /nfs/dbraw/zinc/59/54/09/487595409.db2.gz LMYHFBGFACSOIN-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO C#CCCCC(=O)Nc1ccc(C[NH+](C)C)cc1 ZINC000277067127 166120767 /nfs/dbraw/zinc/12/07/67/166120767.db2.gz KMQLBWNNTXBKIY-UHFFFAOYSA-N 1 0 244.338 2.490 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(OC)c(O)c1 ZINC000150736644 166127019 /nfs/dbraw/zinc/12/70/19/166127019.db2.gz RLWWWBZUBUYLBL-UHFFFAOYSA-N 1 0 233.311 2.294 20 30 BEEDRO CCCCCCCC[C@H](CC)[NH2+]C[C@@H](O)CO ZINC001172506343 974858550 /nfs/dbraw/zinc/85/85/50/974858550.db2.gz RQRRAOXKHOFFBC-UONOGXRCSA-N 1 0 245.407 2.458 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000271069601 166128765 /nfs/dbraw/zinc/12/87/65/166128765.db2.gz VFMHGFAJWHSVHP-QGZVFWFLSA-N 1 0 249.379 2.269 20 30 BEEDRO C[C@H]1CC[N@H+](CCCSCC#N)CCS1 ZINC000192170524 487607166 /nfs/dbraw/zinc/60/71/66/487607166.db2.gz FIIHKNJMXXIMSU-NSHDSACASA-N 1 0 244.429 2.461 20 30 BEEDRO C#CCCC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000273073330 166132363 /nfs/dbraw/zinc/13/23/63/166132363.db2.gz FVKHRYCPJXPYCE-GFCCVEGCSA-N 1 0 239.265 2.001 20 30 BEEDRO C#CCC[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000273034624 166134307 /nfs/dbraw/zinc/13/43/07/166134307.db2.gz GXIXCUJDNIHVES-SNVBAGLBSA-N 1 0 208.330 2.202 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000268708163 166135508 /nfs/dbraw/zinc/13/55/08/166135508.db2.gz LQXDTJPFCYAGNI-UHFFFAOYSA-N 1 0 242.116 2.497 20 30 BEEDRO C[C@H](CCCC#N)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC001172506732 974859671 /nfs/dbraw/zinc/85/96/71/974859671.db2.gz ISBQISHTZQYEAN-ZIAGYGMSSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[C@]1(C(=O)NC[C@@H](C)C(C)C)CCC[NH2+]1 ZINC000662618122 409790901 /nfs/dbraw/zinc/79/09/01/409790901.db2.gz UBTXABNOMNNKIH-TZMCWYRMSA-N 1 0 238.375 2.093 20 30 BEEDRO C[NH+]=C(NCc1sccc1C)NC(C)C ZINC000072603899 410029480 /nfs/dbraw/zinc/02/94/80/410029480.db2.gz LJKLSYCNBSUZKD-UHFFFAOYSA-N 1 0 225.361 2.130 20 30 BEEDRO C=CC[N@@H+](CCOC1CCC1)[C@@H](C)COC ZINC000661239659 410400248 /nfs/dbraw/zinc/40/02/48/410400248.db2.gz IJBSHZHQHJUKLP-LBPRGKRZSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[N@H+](C[C@H]1CCC(C)(C)O1)[C@H](C)COC ZINC000661239909 410400892 /nfs/dbraw/zinc/40/08/92/410400892.db2.gz JZDADCRDIZCNKL-CHWSQXEVSA-N 1 0 241.375 2.467 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1ccc(F)cc1 ZINC000026165091 166159722 /nfs/dbraw/zinc/15/97/22/166159722.db2.gz MUDUXRHPVDVWHU-LLVKDONJSA-N 1 0 205.276 2.322 20 30 BEEDRO C#CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000267480638 166169857 /nfs/dbraw/zinc/16/98/57/166169857.db2.gz XOXMXMIVPUDQOT-MRXNPFEDSA-N 1 0 243.350 2.382 20 30 BEEDRO C#CC[N@@H+](CCCOC)Cc1ccccc1 ZINC000275617948 166170401 /nfs/dbraw/zinc/17/04/01/166170401.db2.gz TZRAMDKJRFUMLL-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1 ZINC000271167676 166171088 /nfs/dbraw/zinc/17/10/88/166171088.db2.gz BWHPRVVCNRMWMB-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO C#CC[NH2+][C@@H](C)c1cc(F)ccc1OC ZINC000068990376 166190728 /nfs/dbraw/zinc/19/07/28/166190728.db2.gz PAMOFNQAGIHMBU-VIFPVBQESA-N 1 0 207.248 2.118 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(C)o1 ZINC000152933664 166203100 /nfs/dbraw/zinc/20/31/00/166203100.db2.gz FVTXANBMXZCPKK-UHFFFAOYSA-N 1 0 209.314 2.044 20 30 BEEDRO CC[N@@H+](CCC#N)CCC[C@H]1CCOC1 ZINC000400890105 410521618 /nfs/dbraw/zinc/52/16/18/410521618.db2.gz AJMKWSOBSWSPCZ-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1ccc(C(=O)OC)[nH]1 ZINC000272778606 166232919 /nfs/dbraw/zinc/23/29/19/166232919.db2.gz VIIYLRNVABFKIS-UHFFFAOYSA-N 1 0 236.315 2.199 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)OC(C)C ZINC000268370999 166234431 /nfs/dbraw/zinc/23/44/31/166234431.db2.gz RTMHYKZSGYCVRL-LLVKDONJSA-N 1 0 213.321 2.225 20 30 BEEDRO C=CCCC[NH2+][C@H](CO)c1ccc(F)cc1 ZINC000273153461 166243753 /nfs/dbraw/zinc/24/37/53/166243753.db2.gz XSOWXWHFTUCSFI-CYBMUJFWSA-N 1 0 223.291 2.415 20 30 BEEDRO C=CCCN(C)[C@@H](C)C(=O)OCCCC ZINC000276335433 166260052 /nfs/dbraw/zinc/26/00/52/166260052.db2.gz BTMQTOZJFXCYFJ-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000276101544 166253954 /nfs/dbraw/zinc/25/39/54/166253954.db2.gz FQNNZTISLXSHKW-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N1CCc2ccccc21 ZINC000276481685 166256847 /nfs/dbraw/zinc/25/68/47/166256847.db2.gz SYDZTSMNOUTZJR-UHFFFAOYSA-N 1 0 244.338 2.084 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000276463012 166256881 /nfs/dbraw/zinc/25/68/81/166256881.db2.gz QVRXKAKUXVJXTA-CQSZACIVSA-N 1 0 230.311 2.100 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1cccc(C#N)c1 ZINC000276339464 166257172 /nfs/dbraw/zinc/25/71/72/166257172.db2.gz CFSNERINPKSPSV-UHFFFAOYSA-N 1 0 243.310 2.005 20 30 BEEDRO C=CCC[N@H+](C)CCOc1cccc(C#N)c1 ZINC000265827347 166257304 /nfs/dbraw/zinc/25/73/04/166257304.db2.gz SZIKFGPCWLYWRW-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000276449940 166257316 /nfs/dbraw/zinc/25/73/16/166257316.db2.gz PKDABPHMJFPQRO-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(OC)ccc1O ZINC000276100186 166258726 /nfs/dbraw/zinc/25/87/26/166258726.db2.gz FKGUESRYLRKZGK-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=CCC[N@@H+](Cc1ccc(C(N)=O)cc1)C1CC1 ZINC000265756353 166262875 /nfs/dbraw/zinc/26/28/75/166262875.db2.gz ADFZLVIUVUUFJC-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C=CCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375439600 166263527 /nfs/dbraw/zinc/26/35/27/166263527.db2.gz SSNWVPUHUWWJDP-LLVKDONJSA-N 1 0 233.315 2.312 20 30 BEEDRO C=CCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000306256491 166264899 /nfs/dbraw/zinc/26/48/99/166264899.db2.gz ODCLAQZZOWOLQC-UHFFFAOYSA-N 1 0 230.355 2.380 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000338564584 166265442 /nfs/dbraw/zinc/26/54/42/166265442.db2.gz AKTRSEVWFQVVOE-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000267403892 166265682 /nfs/dbraw/zinc/26/56/82/166265682.db2.gz GQJWBXFFDHJRQK-NSHDSACASA-N 1 0 205.305 2.165 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000336757302 166294096 /nfs/dbraw/zinc/29/40/96/166294096.db2.gz KABNRJXVSFDWFG-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc2n1CCCC2 ZINC000274264468 166294930 /nfs/dbraw/zinc/29/49/30/166294930.db2.gz VLWZJMQPZLDOSD-LLVKDONJSA-N 1 0 234.347 2.059 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000336740836 166295298 /nfs/dbraw/zinc/29/52/98/166295298.db2.gz MOKXOZVJRNGFKM-GHMZBOCLSA-N 1 0 219.332 2.211 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)Cn1cccn1 ZINC000159226736 166296076 /nfs/dbraw/zinc/29/60/76/166296076.db2.gz FVMVCGRQFAKBLH-NEPJUHHUSA-N 1 0 207.321 2.216 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)CCC ZINC000340418539 166299632 /nfs/dbraw/zinc/29/96/32/166299632.db2.gz HHTCWJLVPIUCQP-STQMWFEESA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000349520209 166299736 /nfs/dbraw/zinc/29/97/36/166299736.db2.gz RYNGFAVSGMFQEM-NSHDSACASA-N 1 0 234.347 2.100 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)COC)c1ccccc1 ZINC000178760434 166301601 /nfs/dbraw/zinc/30/16/01/166301601.db2.gz ZLEKFLHUXAVVCH-CABCVRRESA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1nnc2n1CCC2)C1CC1 ZINC000269586668 166301995 /nfs/dbraw/zinc/30/19/95/166301995.db2.gz BJTDLJSATRVXIB-LBPRGKRZSA-N 1 0 246.358 2.059 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)O)c1ccco1 ZINC000278981865 166302388 /nfs/dbraw/zinc/30/23/88/166302388.db2.gz PMOCXIWUZHOUJY-MNOVXSKESA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1ccccn1 ZINC000271067561 166304408 /nfs/dbraw/zinc/30/44/08/166304408.db2.gz GQJKYXPHKFIERA-OLZOCXBDSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc2c(c(OC)c1)OCO2 ZINC000154780981 166321252 /nfs/dbraw/zinc/32/12/52/166321252.db2.gz BJWSSCQEWWTZBX-UHFFFAOYSA-N 1 0 235.283 2.042 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000263779632 166321679 /nfs/dbraw/zinc/32/16/79/166321679.db2.gz YGSRXKKVFZZLSJ-AWEZNQCLSA-N 1 0 217.312 2.418 20 30 BEEDRO C=CC[N@@H+](CC)[C@@H]1CCN(c2ccccc2)C1=O ZINC000264733471 166326562 /nfs/dbraw/zinc/32/65/62/166326562.db2.gz QANYLTADWFBQLU-CQSZACIVSA-N 1 0 244.338 2.300 20 30 BEEDRO C=CC[NH+](CC=C)CCNC(=O)OC(C)(C)C ZINC000176955431 166334291 /nfs/dbraw/zinc/33/42/91/166334291.db2.gz OSDVLMHFFYQHFN-UHFFFAOYSA-N 1 0 240.347 2.185 20 30 BEEDRO C=CC[N@H+](CCCCCO)CCc1ccco1 ZINC000272323213 166340780 /nfs/dbraw/zinc/34/07/80/166340780.db2.gz URYSAFVROASIQK-UHFFFAOYSA-N 1 0 237.343 2.473 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(CC)c1)C1CC1 ZINC000273555385 166348840 /nfs/dbraw/zinc/34/88/40/166348840.db2.gz ZKTHLWOBPQJLEV-UHFFFAOYSA-N 1 0 205.305 2.053 20 30 BEEDRO C=CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277947273 166353420 /nfs/dbraw/zinc/35/34/20/166353420.db2.gz ZTQWXFFLOVKCTM-UHFFFAOYSA-N 1 0 245.366 2.490 20 30 BEEDRO C=CC[NH+]1CCC(Nc2nc(C)cc(C)n2)CC1 ZINC000266182829 166353640 /nfs/dbraw/zinc/35/36/40/166353640.db2.gz ATDZLTCLTBRZOB-UHFFFAOYSA-N 1 0 246.358 2.156 20 30 BEEDRO C=CC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000365854798 166354085 /nfs/dbraw/zinc/35/40/85/166354085.db2.gz GJFFEFZYPQAHPB-UHFFFAOYSA-N 1 0 249.329 2.381 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)Cc1ccccc1 ZINC000155605136 166383206 /nfs/dbraw/zinc/38/32/06/166383206.db2.gz YZALJZGSHZKWGS-CYBMUJFWSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1 ZINC000020311968 166389221 /nfs/dbraw/zinc/38/92/21/166389221.db2.gz IFGPBASSHDIOBI-RYUDHWBXSA-N 1 0 232.327 2.028 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](Cc2cnc[nH]2)C1 ZINC000661387806 410605383 /nfs/dbraw/zinc/60/53/83/410605383.db2.gz ZSFLZEHEJQRBAN-LLVKDONJSA-N 1 0 205.305 2.198 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000661383454 410598218 /nfs/dbraw/zinc/59/82/18/410598218.db2.gz CZKVGHJPNFCHFT-CYBMUJFWSA-N 1 0 233.359 2.251 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@@H](O)C(C)C)C1 ZINC000661384286 410599646 /nfs/dbraw/zinc/59/96/46/410599646.db2.gz HZPDGKMPWJAFLH-QWHCGFSZSA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)c2nccc(N)n2)C1 ZINC000661386296 410602722 /nfs/dbraw/zinc/60/27/22/410602722.db2.gz RGYSPIUERKRBQJ-RYUDHWBXSA-N 1 0 246.358 2.408 20 30 BEEDRO C=CCOCC[NH2+]Cc1sccc1C ZINC000053560697 487618335 /nfs/dbraw/zinc/61/83/35/487618335.db2.gz PQKUMDPCPSXHBD-UHFFFAOYSA-N 1 0 211.330 2.349 20 30 BEEDRO COC(=O)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC000182227579 410686027 /nfs/dbraw/zinc/68/60/27/410686027.db2.gz KYDYKWZTHNRNIZ-UHFFFAOYSA-N 1 0 240.347 2.105 20 30 BEEDRO C=CCCCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000308893361 410790548 /nfs/dbraw/zinc/79/05/48/410790548.db2.gz IEIHUZCHULPHON-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO CC(C)C[NH2+]Cc1ccc(C#N)cc1F ZINC000020036838 167007443 /nfs/dbraw/zinc/00/74/43/167007443.db2.gz IXGBWZNILGEUMX-UHFFFAOYSA-N 1 0 206.264 2.443 20 30 BEEDRO CC(C)OCCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191584907 167205884 /nfs/dbraw/zinc/20/58/84/167205884.db2.gz JFJLRLWXKFPZKX-UHFFFAOYSA-N 1 0 249.358 2.192 20 30 BEEDRO CC(C)OCCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336773575 167223256 /nfs/dbraw/zinc/22/32/56/167223256.db2.gz YYWJHEQEHQEHPH-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000337333472 167266556 /nfs/dbraw/zinc/26/65/56/167266556.db2.gz JREMKMNJTPJDGO-LBPRGKRZSA-N 1 0 232.327 2.461 20 30 BEEDRO CC(C)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189580477 167381413 /nfs/dbraw/zinc/38/14/13/167381413.db2.gz QLQXFKBYOOKORB-SNVBAGLBSA-N 1 0 205.305 2.031 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](CO)CCF)C1 ZINC000652016866 410979667 /nfs/dbraw/zinc/97/96/67/410979667.db2.gz ILTNJUDLAFRVSR-GRYCIOLGSA-N 1 0 215.312 2.041 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)CCF ZINC000652019097 410998821 /nfs/dbraw/zinc/99/88/21/410998821.db2.gz JNZNYWNLTDGNDG-VXGBXAGGSA-N 1 0 217.328 2.431 20 30 BEEDRO C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152418 411132411 /nfs/dbraw/zinc/13/24/11/411132411.db2.gz XMIIMAOAKFJJAJ-BXUZGUMPSA-N 1 0 248.301 2.237 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCO2)C1 ZINC000651667623 411134387 /nfs/dbraw/zinc/13/43/87/411134387.db2.gz KPQPIIYDVSJHLB-UPJWGTAASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCC(=O)NCCC)C1 ZINC000651684503 411135649 /nfs/dbraw/zinc/13/56/49/411135649.db2.gz PBXIUXPOHREOBJ-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C(C)(C)O)C1 ZINC000651694685 411136632 /nfs/dbraw/zinc/13/66/32/411136632.db2.gz NIDYGKMYRMYOSS-IJLUTSLNSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C(C)(C)O)C1 ZINC000651694687 411136698 /nfs/dbraw/zinc/13/66/98/411136698.db2.gz NIDYGKMYRMYOSS-TUAOUCFPSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2nc(C)no2)C1 ZINC000651706790 411137127 /nfs/dbraw/zinc/13/71/27/411137127.db2.gz MRSVKZDOTLISKH-NWDGAFQWSA-N 1 0 235.331 2.255 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCCn2cncn2)C1 ZINC000651703369 411137405 /nfs/dbraw/zinc/13/74/05/411137405.db2.gz WKDCFNVACPEJSW-STQMWFEESA-N 1 0 234.347 2.003 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)C2CC2)C1 ZINC000651709538 411137670 /nfs/dbraw/zinc/13/76/70/411137670.db2.gz ZVOROJCUJVMVCS-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651713106 411138201 /nfs/dbraw/zinc/13/82/01/411138201.db2.gz CHNXFFYUJAZCIV-LBPRGKRZSA-N 1 0 242.326 2.322 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)CCOC)C1 ZINC000651712410 411138235 /nfs/dbraw/zinc/13/82/35/411138235.db2.gz DOBBRHMMMIURCZ-HZSPNIEDSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@](C)(O)CCOC)C1 ZINC000651712411 411138278 /nfs/dbraw/zinc/13/82/78/411138278.db2.gz DOBBRHMMMIURCZ-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CC)CCO)C1 ZINC000651719375 411138426 /nfs/dbraw/zinc/13/84/26/411138426.db2.gz RSYVHHXZIBXKPH-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC(=O)N(C3CC3)C2)C1 ZINC000651753288 411141082 /nfs/dbraw/zinc/14/10/82/411141082.db2.gz MIGJWCRSFLIYEM-FRRDWIJNSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H](CC=C)C1 ZINC000651761162 411142215 /nfs/dbraw/zinc/14/22/15/411142215.db2.gz GRYFPUMJHZDZAX-UPJWGTAASA-N 1 0 209.333 2.258 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@]2(OC)CCOC2)C1 ZINC000651763328 411142348 /nfs/dbraw/zinc/14/23/48/411142348.db2.gz RLAHVFCCTKDOTJ-HZSPNIEDSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)C1 ZINC000651767941 411142770 /nfs/dbraw/zinc/14/27/70/411142770.db2.gz RNYBYIKTBUSIKF-YVECIDJPSA-N 1 0 223.360 2.480 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)CC)C1 ZINC000651784336 411143459 /nfs/dbraw/zinc/14/34/59/411143459.db2.gz LJKPMBBQANAXHQ-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCCCCO)C1 ZINC000651789497 411143688 /nfs/dbraw/zinc/14/36/88/411143688.db2.gz PHKRPJVHYQQACP-QWHCGFSZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CO)CC(F)F)C1 ZINC000651786323 411143749 /nfs/dbraw/zinc/14/37/49/411143749.db2.gz RSTOFRGBMNNLJP-MXWKQRLJSA-N 1 0 233.302 2.337 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)CN(C)C)C1 ZINC000651806987 411144708 /nfs/dbraw/zinc/14/47/08/411144708.db2.gz GPXYPQWXKSVWMT-AVGNSLFASA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](COC)CC(C)(C)C ZINC000651824369 411145713 /nfs/dbraw/zinc/14/57/13/411145713.db2.gz OLGQNJHEANHEAS-OLZOCXBDSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CCC2)C1 ZINC000651825588 411146399 /nfs/dbraw/zinc/14/63/99/411146399.db2.gz QXHDLCDJVBFMHD-BNOWGMLFSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000651825590 411146407 /nfs/dbraw/zinc/14/64/07/411146407.db2.gz QXHDLCDJVBFMHD-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000651846054 411147330 /nfs/dbraw/zinc/14/73/30/411147330.db2.gz FETMGDWEQPOYBK-QNWHQSFQSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000651846053 411147405 /nfs/dbraw/zinc/14/74/05/411147405.db2.gz FETMGDWEQPOYBK-NDBYEHHHSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCO ZINC000657893291 411156118 /nfs/dbraw/zinc/15/61/18/411156118.db2.gz WZCCGUKMUDPUAE-UPJWGTAASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652046760 411093852 /nfs/dbraw/zinc/09/38/52/411093852.db2.gz ZNFOUPTWGSXNPU-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@]1(O)CCCOC1 ZINC000652046761 411093857 /nfs/dbraw/zinc/09/38/57/411093857.db2.gz ZNFOUPTWGSXNPU-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000047220442 411117792 /nfs/dbraw/zinc/11/77/92/411117792.db2.gz NCSOBXPUJFCDAQ-UHFFFAOYSA-N 1 0 236.315 2.037 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCC1 ZINC000657930722 411170802 /nfs/dbraw/zinc/17/08/02/411170802.db2.gz KIWKZZXNNVLKKN-KGLIPLIRSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[C@@H](O)COC ZINC000657936351 411173018 /nfs/dbraw/zinc/17/30/18/411173018.db2.gz QAGQHCFKKDKKOU-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]Cc1ncn(C)n1 ZINC000657939170 411174283 /nfs/dbraw/zinc/17/42/83/411174283.db2.gz RGIWQXMWFOGIDP-NWDGAFQWSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)(C)C(N)=O ZINC000657939351 411174360 /nfs/dbraw/zinc/17/43/60/411174360.db2.gz TWLIKYJUYSXESP-RYUDHWBXSA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655752492 411180395 /nfs/dbraw/zinc/18/03/95/411180395.db2.gz YVQQIJSLAAQCQC-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000397913298 411243901 /nfs/dbraw/zinc/24/39/01/411243901.db2.gz BULNDVRNGRTQDV-VHSXEESVSA-N 1 0 210.346 2.021 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(F)(F)CO ZINC000657977621 411186532 /nfs/dbraw/zinc/18/65/32/411186532.db2.gz DDZJUABBVRVQLS-GHMZBOCLSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(F)(F)CO ZINC000657977627 411186911 /nfs/dbraw/zinc/18/69/11/411186911.db2.gz DDZJUABBVRVQLS-WDEREUQCSA-N 1 0 233.302 2.339 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](CC)CO ZINC000657980923 411187727 /nfs/dbraw/zinc/18/77/27/411187727.db2.gz AIEJODYVGLFDAU-AGIUHOORSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)CC ZINC000657981333 411187969 /nfs/dbraw/zinc/18/79/69/411187969.db2.gz UKORSZXEAVQGEG-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC1CCSCC1 ZINC000229257084 411190521 /nfs/dbraw/zinc/19/05/21/411190521.db2.gz ZCQDRVHQDXLBHQ-LLVKDONJSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCO ZINC000657994039 411192233 /nfs/dbraw/zinc/19/22/33/411192233.db2.gz NDMSIYZGFDKWAC-OLZOCXBDSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CCC(CSC)CC1 ZINC000320694062 411194356 /nfs/dbraw/zinc/19/43/56/411194356.db2.gz WXJKCLMBNLAKTJ-BPCQOVAHSA-N 1 0 243.416 2.435 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCN(C)C ZINC000658016166 411198459 /nfs/dbraw/zinc/19/84/59/411198459.db2.gz XGCSDCXUBRSBNE-CHWSQXEVSA-N 1 0 210.365 2.273 20 30 BEEDRO C[C@@H](c1ccccc1)[NH+]1CCN(CCC#N)CC1 ZINC000049831491 411245097 /nfs/dbraw/zinc/24/50/97/411245097.db2.gz XZZRPZLYVZDPNM-AWEZNQCLSA-N 1 0 243.354 2.279 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000658028004 411204595 /nfs/dbraw/zinc/20/45/95/411204595.db2.gz BVMABBVBEWHASG-XQQFMLRXSA-N 1 0 237.343 2.021 20 30 BEEDRO C=C(C)CC[NH2+][C@H](COC)CC1CCOCC1 ZINC000658027074 411205059 /nfs/dbraw/zinc/20/50/59/411205059.db2.gz JLIPTBVQHKYPDV-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CC(=O)NC ZINC000658029073 411206244 /nfs/dbraw/zinc/20/62/44/411206244.db2.gz NNZXISCHCKWLSR-YNEHKIRRSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cc2n(n1)CCC2 ZINC000658114175 411248367 /nfs/dbraw/zinc/24/83/67/411248367.db2.gz MTDSESMHZRRVEP-JTQLQIEISA-N 1 0 205.305 2.056 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000658030158 411207642 /nfs/dbraw/zinc/20/76/42/411207642.db2.gz OUJPAQSHSFRGLS-TUAOUCFPSA-N 1 0 227.373 2.205 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cc2n(n1)CCC2 ZINC000658114176 411248378 /nfs/dbraw/zinc/24/83/78/411248378.db2.gz MTDSESMHZRRVEP-SNVBAGLBSA-N 1 0 205.305 2.056 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCSCC1 ZINC000658031943 411210214 /nfs/dbraw/zinc/21/02/14/411210214.db2.gz KTIUTHWPXYFKOT-NEPJUHHUSA-N 1 0 229.389 2.189 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCSCC1 ZINC000658038736 411213258 /nfs/dbraw/zinc/21/32/58/411213258.db2.gz QOLWDTIPNNWJGG-AVGNSLFASA-N 1 0 241.400 2.453 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000658040159 411214681 /nfs/dbraw/zinc/21/46/81/411214681.db2.gz DKBQEGKNQHZNIM-XQQFMLRXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCCCCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000656268520 411222447 /nfs/dbraw/zinc/22/24/47/411222447.db2.gz DQMPXDZZAZMNCL-ZDUSSCGKSA-N 1 0 248.374 2.261 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cn1cncn1 ZINC000658060657 411226527 /nfs/dbraw/zinc/22/65/27/411226527.db2.gz OPXWARQDNAFMKY-MCIONIFRSA-N 1 0 248.374 2.391 20 30 BEEDRO C=CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000049203422 411227496 /nfs/dbraw/zinc/22/74/96/411227496.db2.gz KPPOIGPLGJIMTN-UHFFFAOYSA-N 1 0 233.315 2.056 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C2(COC)CC2)C1 ZINC000652179449 411165813 /nfs/dbraw/zinc/16/58/13/411165813.db2.gz OCQSIGCCOWQAKT-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528760263 411242140 /nfs/dbraw/zinc/24/21/40/411242140.db2.gz RNWHHKOYYUJCQL-DGORSVRFSA-N 1 0 210.321 2.080 20 30 BEEDRO C=CCCn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000656453342 411276068 /nfs/dbraw/zinc/27/60/68/411276068.db2.gz WHNRRMHFALQQCZ-CQSZACIVSA-N 1 0 242.326 2.097 20 30 BEEDRO CN(CCC#N)C(C)(C)C[NH+]1CCCCCC1 ZINC000426731689 411282405 /nfs/dbraw/zinc/28/24/05/411282405.db2.gz QMROJCBKEAUFAM-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO C=CCCC1(CNC2=[NH+]CCCN2)CCCC1 ZINC000656508519 411288485 /nfs/dbraw/zinc/28/84/85/411288485.db2.gz JUPQKUAFSNYZLJ-UHFFFAOYSA-N 1 0 235.375 2.452 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000658205038 411292179 /nfs/dbraw/zinc/29/21/79/411292179.db2.gz DOUPNVPJFGIELW-VXGBXAGGSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCCSCC1 ZINC000658205788 411292778 /nfs/dbraw/zinc/29/27/78/411292778.db2.gz JPOGJZFGJFTZQR-LBPRGKRZSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](CC)c1ccn(C)n1 ZINC000658207268 411293488 /nfs/dbraw/zinc/29/34/88/411293488.db2.gz UCWCCPYPNVELHW-LBPRGKRZSA-N 1 0 237.347 2.054 20 30 BEEDRO CC(C)OC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)CCC#N ZINC000602479545 411295557 /nfs/dbraw/zinc/29/55/57/411295557.db2.gz NKTWUSQCTBEAAI-NWDGAFQWSA-N 1 0 240.347 2.198 20 30 BEEDRO C=CCCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660526003 411308095 /nfs/dbraw/zinc/30/80/95/411308095.db2.gz QOMVAGKRJWDBOH-UWVGGRQHSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](CO)CC1CC1 ZINC000658255839 411316131 /nfs/dbraw/zinc/31/61/31/411316131.db2.gz VKXUKTKNZMZRPR-YPMHNXCESA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)CC1CC1 ZINC000658255837 411316214 /nfs/dbraw/zinc/31/62/14/411316214.db2.gz VKXUKTKNZMZRPR-WCQYABFASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCC[NH2+][C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000656680854 411320673 /nfs/dbraw/zinc/32/06/73/411320673.db2.gz WESZCWADYDFNOF-CQSZACIVSA-N 1 0 244.338 2.172 20 30 BEEDRO C=CC[NH+](CC=C)CCO[C@@H]1CC1(F)F ZINC000659839261 411321042 /nfs/dbraw/zinc/32/10/42/411321042.db2.gz TWYGLMHCKHMSAZ-SNVBAGLBSA-N 1 0 217.259 2.085 20 30 BEEDRO C=CCC1(CNC(=O)[C@H](C)[NH+](C)C)CCCC1 ZINC000654081881 411324926 /nfs/dbraw/zinc/32/49/26/411324926.db2.gz YNXIBVTUCPHKGJ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000658116355 411248811 /nfs/dbraw/zinc/24/88/11/411248811.db2.gz JNDDZUBNTIBTPS-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654064413 411326818 /nfs/dbraw/zinc/32/68/18/411326818.db2.gz WISZCHKDWNLUPI-SCRDCRAPSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)CCCC(CC)CC ZINC000662036555 411351921 /nfs/dbraw/zinc/35/19/21/411351921.db2.gz DKRSTSZNSSMFQF-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000659328470 411357527 /nfs/dbraw/zinc/35/75/27/411357527.db2.gz GRQSHPLKPZWFRN-LPWJVIDDSA-N 1 0 238.375 2.221 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])C(C)C ZINC000658933136 411362101 /nfs/dbraw/zinc/36/21/01/411362101.db2.gz ZMWPQRUICYYDSJ-XQQFMLRXSA-N 1 0 238.375 2.221 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654312760 411370796 /nfs/dbraw/zinc/37/07/96/411370796.db2.gz YKTQUSYYPJJKHS-CHWSQXEVSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCC[NH2+]Cc1cccc(COC)c1 ZINC000070591752 411336368 /nfs/dbraw/zinc/33/63/68/411336368.db2.gz OMJGJBIILBKYHK-UHFFFAOYSA-N 1 0 205.301 2.499 20 30 BEEDRO C(#Cc1ccccc1)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000661968611 411337037 /nfs/dbraw/zinc/33/70/37/411337037.db2.gz ZJBADUWPLWGYQY-GJZGRUSLSA-N 1 0 211.308 2.380 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)C1CC1 ZINC000658330194 411338356 /nfs/dbraw/zinc/33/83/56/411338356.db2.gz CGHVDPYZBMTHCN-UPJWGTAASA-N 1 0 209.333 2.498 20 30 BEEDRO COCC#CC[NH2+][C@]1(C)CCCC[C@@H]1C ZINC000656726375 411340542 /nfs/dbraw/zinc/34/05/42/411340542.db2.gz UUTOGERAQVJEQZ-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2cc(C)cc(C)c21 ZINC000658334305 411342164 /nfs/dbraw/zinc/34/21/64/411342164.db2.gz IJNNYKFMOXLHDR-KGLIPLIRSA-N 1 0 231.339 2.427 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000658333864 411342176 /nfs/dbraw/zinc/34/21/76/411342176.db2.gz URGVUFAOTSFYBN-RNCFNFMXSA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCc2cc(C)cc(C)c21 ZINC000658334306 411342470 /nfs/dbraw/zinc/34/24/70/411342470.db2.gz IJNNYKFMOXLHDR-ZIAGYGMSSA-N 1 0 231.339 2.427 20 30 BEEDRO CC1(C[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000165475137 168041832 /nfs/dbraw/zinc/04/18/32/168041832.db2.gz QFPYNSIXJDYKFM-UHFFFAOYSA-N 1 0 204.273 2.431 20 30 BEEDRO CC1(CO)CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC000186934904 168050965 /nfs/dbraw/zinc/05/09/65/168050965.db2.gz GQEMCXGBELYIFC-UHFFFAOYSA-N 1 0 244.338 2.153 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@@H](CC)C2)nn1 ZINC000653486227 411376921 /nfs/dbraw/zinc/37/69/21/411376921.db2.gz RTTSQDRMWPPDFF-CYBMUJFWSA-N 1 0 248.374 2.476 20 30 BEEDRO CC1=CC[N@H+](Cc2cc(C#N)n(C)c2)CC1 ZINC000276704890 168115630 /nfs/dbraw/zinc/11/56/30/168115630.db2.gz BVFCRSBMRIXONN-UHFFFAOYSA-N 1 0 215.300 2.049 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655731145 411376725 /nfs/dbraw/zinc/37/67/25/411376725.db2.gz VJYKEIQFWMYXEC-WDEREUQCSA-N 1 0 205.305 2.272 20 30 BEEDRO C=CCCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000659338953 411398234 /nfs/dbraw/zinc/39/82/34/411398234.db2.gz WCJXPLBRBSMUAP-JTQLQIEISA-N 1 0 218.300 2.012 20 30 BEEDRO C=CCCn1cc(C[N@@H+](C)C[C@H](C)CC)nn1 ZINC000653555397 411420304 /nfs/dbraw/zinc/42/03/04/411420304.db2.gz ZBBJNCVBFXMOOH-GFCCVEGCSA-N 1 0 236.363 2.332 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659490784 411420815 /nfs/dbraw/zinc/42/08/15/411420815.db2.gz HTJUKNNHURNOOH-VXGBXAGGSA-N 1 0 241.379 2.014 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)C[C@@H]2CC)nn1 ZINC000653562269 411421967 /nfs/dbraw/zinc/42/19/67/411421967.db2.gz LQGVPAJGKBXZQC-OCCSQVGLSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)nn1 ZINC000653564922 411423445 /nfs/dbraw/zinc/42/34/45/411423445.db2.gz RSMURLTZWYPUAT-VXGBXAGGSA-N 1 0 234.347 2.085 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590466 411425334 /nfs/dbraw/zinc/42/53/34/411425334.db2.gz CLYHZMBMISUEEO-QWHCGFSZSA-N 1 0 231.343 2.011 20 30 BEEDRO C=CCCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000659527899 411429130 /nfs/dbraw/zinc/42/91/30/411429130.db2.gz XWQMAFJCEXSWSQ-NSHDSACASA-N 1 0 247.342 2.082 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)nn1 ZINC000653594444 411429948 /nfs/dbraw/zinc/42/99/48/411429948.db2.gz SSNRULBLOCJZDV-CYBMUJFWSA-N 1 0 246.358 2.086 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@H](C)C2)nn1 ZINC000653595108 411430271 /nfs/dbraw/zinc/43/02/71/411430271.db2.gz VTOKQHBVGXPIEJ-QWHCGFSZSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)nn1 ZINC000653595107 411430765 /nfs/dbraw/zinc/43/07/65/411430765.db2.gz VTOKQHBVGXPIEJ-OLZOCXBDSA-N 1 0 248.374 2.332 20 30 BEEDRO C=CCCCCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659561277 411436227 /nfs/dbraw/zinc/43/62/27/411436227.db2.gz ISMFKWGFQGBVEJ-UHFFFAOYSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CCCn1cc(C[N@H+](CC)CCC2CC2)nn1 ZINC000653617841 411442551 /nfs/dbraw/zinc/44/25/51/411442551.db2.gz GGMGRWFTNGAMMV-UHFFFAOYSA-N 1 0 248.374 2.476 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccccc1SC ZINC000276996468 411443563 /nfs/dbraw/zinc/44/35/63/411443563.db2.gz NVZDQFOIZNNKLW-UHFFFAOYSA-N 1 0 205.326 2.474 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](C)[C@@H]2CC)nn1 ZINC000653621493 411446349 /nfs/dbraw/zinc/44/63/49/411446349.db2.gz OXEJMILNECIBMY-OCCSQVGLSA-N 1 0 248.374 2.475 20 30 BEEDRO C[N@H+](CCCO)Cc1ccccc1C(C)(C)C#N ZINC000281832522 411454213 /nfs/dbraw/zinc/45/42/13/411454213.db2.gz MLHBXBOMLQFYQA-UHFFFAOYSA-N 1 0 246.354 2.302 20 30 BEEDRO C=C(C)C[N@H+](CC)CCO[C@H]1CC1(F)F ZINC000659828463 411467126 /nfs/dbraw/zinc/46/71/26/411467126.db2.gz DXKCGBDXBJRKBN-JTQLQIEISA-N 1 0 219.275 2.309 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccnn1CC1CC1 ZINC000657364192 411481437 /nfs/dbraw/zinc/48/14/37/411481437.db2.gz WBTXSTIPNBQRLT-NSHDSACASA-N 1 0 219.332 2.347 20 30 BEEDRO CCC[C@H]([NH2+]CC#CCOC)C1CCC1 ZINC000657378825 411487238 /nfs/dbraw/zinc/48/72/38/411487238.db2.gz ZURURWVNFSYAPQ-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000232316100 411494623 /nfs/dbraw/zinc/49/46/23/411494623.db2.gz WOFWWJSPWPCVMF-JQWIXIFHSA-N 1 0 217.316 2.175 20 30 BEEDRO C=CC[C@@H](C)[NH2+]CCC(C)(C)C(=O)OC ZINC000336746358 411504551 /nfs/dbraw/zinc/50/45/51/411504551.db2.gz BHEXWEHVHDXPKR-SNVBAGLBSA-N 1 0 213.321 2.130 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000659942623 411505708 /nfs/dbraw/zinc/50/57/08/411505708.db2.gz XLXADXKBHPYMHO-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc2ccncc2s1 ZINC000657434879 411506659 /nfs/dbraw/zinc/50/66/59/411506659.db2.gz IXLYJWUUDBIZLT-LLVKDONJSA-N 1 0 248.351 2.323 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCC=C(C)C)nn1 ZINC000657447296 411513792 /nfs/dbraw/zinc/51/37/92/411513792.db2.gz ITFRZYHNZWMKHX-UHFFFAOYSA-N 1 0 234.347 2.300 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657453816 411514936 /nfs/dbraw/zinc/51/49/36/411514936.db2.gz CVBYJCRBFKUIAD-UHFFFAOYSA-N 1 0 220.320 2.059 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](CC)CC=C)nn1 ZINC000657455362 411516199 /nfs/dbraw/zinc/51/61/99/411516199.db2.gz IMDIZBDDVHZICU-LBPRGKRZSA-N 1 0 234.347 2.299 20 30 BEEDRO C=C(C)C[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657463947 411518334 /nfs/dbraw/zinc/51/83/34/411518334.db2.gz OOXVAYOHAHSAQB-UHFFFAOYSA-N 1 0 233.237 2.105 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657463871 411518829 /nfs/dbraw/zinc/51/88/29/411518829.db2.gz MDPSRCUCCPZONA-UHFFFAOYSA-N 1 0 233.237 2.105 20 30 BEEDRO C=CCCn1cc(CNCc2occc2C)nn1 ZINC000657471751 411523304 /nfs/dbraw/zinc/52/33/04/411523304.db2.gz GYJOXOSMJJVJOW-UHFFFAOYSA-N 1 0 246.314 2.045 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccnn1CC1CC1 ZINC000657479412 411527848 /nfs/dbraw/zinc/52/78/48/411527848.db2.gz JUBJITZWCBSXFX-UHFFFAOYSA-N 1 0 219.332 2.349 20 30 BEEDRO C=C(C)CC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657480015 411528311 /nfs/dbraw/zinc/52/83/11/411528311.db2.gz PLSHQPZMMFJJIW-UHFFFAOYSA-N 1 0 247.264 2.495 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H]1CCc2c(nnn2C)C1 ZINC000655828229 411530639 /nfs/dbraw/zinc/53/06/39/411530639.db2.gz BNMWYVRRXRVTCR-NEPJUHHUSA-N 1 0 248.374 2.007 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000657583068 411554680 /nfs/dbraw/zinc/55/46/80/411554680.db2.gz XETDKBBRTLFPAY-UHFFFAOYSA-N 1 0 242.326 2.241 20 30 BEEDRO C=CCC[NH2+]Cc1c(OC)cccc1OC ZINC000657582959 411554840 /nfs/dbraw/zinc/55/48/40/411554840.db2.gz POCASJVQQGKWMB-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO C=CCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657583557 411555393 /nfs/dbraw/zinc/55/53/93/411555393.db2.gz OAGANDVNWMEUKL-UHFFFAOYSA-N 1 0 233.237 2.105 20 30 BEEDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037749561 170210031 /nfs/dbraw/zinc/21/00/31/170210031.db2.gz RMQSAGUQTIXREW-NSHDSACASA-N 1 0 246.310 2.162 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000657624628 411565528 /nfs/dbraw/zinc/56/55/28/411565528.db2.gz LOBWJIPYBWKOOS-NWDGAFQWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccccc1N(C)C ZINC000657658038 411571875 /nfs/dbraw/zinc/57/18/75/411571875.db2.gz JXPHPTMITUYJRH-UHFFFAOYSA-N 1 0 248.370 2.435 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000657658715 411572541 /nfs/dbraw/zinc/57/25/41/411572541.db2.gz AVEWCLHZXMRYPU-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCOCCC[NH2+]C1CCC(COC)CC1 ZINC000657659241 411572758 /nfs/dbraw/zinc/57/27/58/411572758.db2.gz TYPZFWRONFWWIC-UHFFFAOYSA-N 1 0 241.375 2.374 20 30 BEEDRO CCOC1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000124458298 170329502 /nfs/dbraw/zinc/32/95/02/170329502.db2.gz DMYPNIBQFRPULW-UHFFFAOYSA-N 1 0 230.311 2.215 20 30 BEEDRO CCOCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000236842933 170369847 /nfs/dbraw/zinc/36/98/47/170369847.db2.gz JSBQNBJXVBDDQP-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000058563131 170389504 /nfs/dbraw/zinc/38/95/04/170389504.db2.gz GOERZBRWDVMHGR-UHFFFAOYSA-N 1 0 218.300 2.027 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C#N)cc1OC ZINC000093314345 170390384 /nfs/dbraw/zinc/39/03/84/170390384.db2.gz CRVKKTLKHYCREA-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCOCCF)C1 ZINC000663338302 411629989 /nfs/dbraw/zinc/62/99/89/411629989.db2.gz GIHCSPGJNUNIJS-NWDGAFQWSA-N 1 0 215.312 2.307 20 30 BEEDRO C=CCC1([NH2+]Cc2cnnn2CC)CCCC1 ZINC000657703280 411582964 /nfs/dbraw/zinc/58/29/64/411582964.db2.gz WAYFGFYNPWTDOU-UHFFFAOYSA-N 1 0 234.347 2.277 20 30 BEEDRO C=CCC1([NH2+]Cc2nccnc2OC)CCCC1 ZINC000657703328 411583226 /nfs/dbraw/zinc/58/32/26/411583226.db2.gz WTAUJGNACWAOEU-UHFFFAOYSA-N 1 0 247.342 2.464 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCO[C@@H]1CC1(F)F ZINC000660429396 411583325 /nfs/dbraw/zinc/58/33/25/411583325.db2.gz LLXDRIHSDGKGNN-GHMZBOCLSA-N 1 0 231.286 2.451 20 30 BEEDRO C=CCC1([NH2+]Cc2ccnn2C)CCCC1 ZINC000657702661 411583368 /nfs/dbraw/zinc/58/33/68/411583368.db2.gz MXGHVILHRCJQLI-UHFFFAOYSA-N 1 0 219.332 2.399 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@]2(C)CC2(C)C)nn1 ZINC000657761612 411591780 /nfs/dbraw/zinc/59/17/80/411591780.db2.gz PAXUJOJOHKHKSL-ZDUSSCGKSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCNC(C)=O ZINC000657827968 411608442 /nfs/dbraw/zinc/60/84/42/411608442.db2.gz QIVVZXLIIRPXLN-KBPBESRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000660639466 411610825 /nfs/dbraw/zinc/61/08/25/411610825.db2.gz RGPJUTXRWHBKOJ-ZDUSSCGKSA-N 1 0 234.343 2.307 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000661215350 411734168 /nfs/dbraw/zinc/73/41/68/411734168.db2.gz MYAUIOMXECDBLY-BFHYXJOUSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@@H+](CCCC(=O)CC)[C@@H](C)COC ZINC000661241528 411735774 /nfs/dbraw/zinc/73/57/74/411735774.db2.gz ZWHHEZDAWNVQGC-LBPRGKRZSA-N 1 0 227.348 2.269 20 30 BEEDRO C=CC[N@H+](CC1CC=CC1)[C@@H](C)COC ZINC000661241218 411740274 /nfs/dbraw/zinc/74/02/74/411740274.db2.gz YKZHKKQVLLVJNV-LBPRGKRZSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CC[N@H+](CC1CC=CC1)[C@H](C)COC ZINC000661241217 411741229 /nfs/dbraw/zinc/74/12/29/411741229.db2.gz YKZHKKQVLLVJNV-GFCCVEGCSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000661380060 411763087 /nfs/dbraw/zinc/76/30/87/411763087.db2.gz DLXWQGSLBDVPGF-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661433408 411772982 /nfs/dbraw/zinc/77/29/82/411772982.db2.gz DVQORGJRPDVLKP-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661433411 411773560 /nfs/dbraw/zinc/77/35/60/411773560.db2.gz DVQORGJRPDVLKP-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661489805 411782870 /nfs/dbraw/zinc/78/28/70/411782870.db2.gz CBMNSXNKAJMBBV-STQMWFEESA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661489802 411787003 /nfs/dbraw/zinc/78/70/03/411787003.db2.gz CBMNSXNKAJMBBV-OLZOCXBDSA-N 1 0 211.349 2.436 20 30 BEEDRO CCC#C[C@H](C)N(C)Cc1ccc(OC)nc1 ZINC000661150562 411720136 /nfs/dbraw/zinc/72/01/36/411720136.db2.gz NSYPOEPFNWGGIL-LBPRGKRZSA-N 1 0 232.327 2.324 20 30 BEEDRO C=C(CC)CNc1cc(CO)cc(C)n1 ZINC000663986093 411802785 /nfs/dbraw/zinc/80/27/85/411802785.db2.gz RSCKFKYYGGDADY-UHFFFAOYSA-N 1 0 206.289 2.260 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661626559 411821840 /nfs/dbraw/zinc/82/18/40/411821840.db2.gz NGULCIISWBEKEL-OCCSQVGLSA-N 1 0 221.344 2.025 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)COC(C)(C)C)C(C)(C)C ZINC000661755346 411866301 /nfs/dbraw/zinc/86/63/01/411866301.db2.gz PFEYABGZTDOHEC-LBPRGKRZSA-N 1 0 243.391 2.449 20 30 BEEDRO C=CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C(C)(C)C ZINC000661755205 411866471 /nfs/dbraw/zinc/86/64/71/411866471.db2.gz IZRVFPINFRXIAZ-LBPRGKRZSA-N 1 0 240.391 2.434 20 30 BEEDRO C=CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664266 411833084 /nfs/dbraw/zinc/83/30/84/411833084.db2.gz ZCEBLMOKTDYQFJ-LSDHHAIUSA-N 1 0 231.339 2.270 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H](CCF)C1 ZINC000661688389 411838709 /nfs/dbraw/zinc/83/87/09/411838709.db2.gz GSFSNEHOBUDHGY-GFCCVEGCSA-N 1 0 215.312 2.261 20 30 BEEDRO C=CC[N@@H+](C[C@H]1CCCN1C)C(C)(C)C ZINC000661757044 411868227 /nfs/dbraw/zinc/86/82/27/411868227.db2.gz CNPUKGZYBLKCEO-GFCCVEGCSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661722957 411859158 /nfs/dbraw/zinc/85/91/58/411859158.db2.gz PNWOTJXAOZQMIO-RWMBFGLXSA-N 1 0 209.333 2.188 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000662015923 411941829 /nfs/dbraw/zinc/94/18/29/411941829.db2.gz BXAORNDDNJRZNB-AWEZNQCLSA-N 1 0 216.328 2.383 20 30 BEEDRO C=CCCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000132316501 411898207 /nfs/dbraw/zinc/89/82/07/411898207.db2.gz IZRMHGHRKOVRNQ-UHFFFAOYSA-N 1 0 230.311 2.237 20 30 BEEDRO C=CCC1([NH2+]CCc2ccnn2C)CCCC1 ZINC000661850648 411900718 /nfs/dbraw/zinc/90/07/18/411900718.db2.gz MCKNNBLKLZKXAR-UHFFFAOYSA-N 1 0 233.359 2.441 20 30 BEEDRO C=CCC1([NH2+]CCn2ccccc2=O)CCCC1 ZINC000661847665 411901200 /nfs/dbraw/zinc/90/12/00/411901200.db2.gz CFHYIAQYBWBTIB-UHFFFAOYSA-N 1 0 246.354 2.327 20 30 BEEDRO C=CCC1([NH2+]CC(=O)NC(C)(C)C)CCCC1 ZINC000661849848 411901613 /nfs/dbraw/zinc/90/16/13/411901613.db2.gz HXQHIKNUFYZTJQ-UHFFFAOYSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000661872801 411911893 /nfs/dbraw/zinc/91/18/93/411911893.db2.gz DIIBLFHKEFZIQP-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000661873784 411912886 /nfs/dbraw/zinc/91/28/86/411912886.db2.gz GJWFLHKUKBRWFY-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)C1CCC(F)CC1 ZINC000662000559 411939284 /nfs/dbraw/zinc/93/92/84/411939284.db2.gz GXUMRUWMCHFUKV-IKWCTNDRSA-N 1 0 229.339 2.430 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000662000560 411939860 /nfs/dbraw/zinc/93/98/60/411939860.db2.gz GXUMRUWMCHFUKV-WTIISPKJSA-N 1 0 229.339 2.430 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H]1CCOC1 ZINC000662078238 411978762 /nfs/dbraw/zinc/97/87/62/411978762.db2.gz DAFFULLESUSETG-UPJWGTAASA-N 1 0 207.317 2.206 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)NC(C)C ZINC000662078152 411979164 /nfs/dbraw/zinc/97/91/64/411979164.db2.gz BNRKPWMXJXLGAB-BETUJISGSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCOC1 ZINC000662078236 411979452 /nfs/dbraw/zinc/97/94/52/411979452.db2.gz DAFFULLESUSETG-RWMBFGLXSA-N 1 0 207.317 2.206 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCCC[C@H]1O ZINC000662081055 411980038 /nfs/dbraw/zinc/98/00/38/411980038.db2.gz SSFKDUIKNQFLQH-XJFOESAGSA-N 1 0 221.344 2.473 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(=O)c(O)co1 ZINC000662083726 411981724 /nfs/dbraw/zinc/98/17/24/411981724.db2.gz JHYGPGJOXBXZHB-PHIMTYICSA-N 1 0 247.294 2.028 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(C)n(C)n1 ZINC000662085733 411981854 /nfs/dbraw/zinc/98/18/54/411981854.db2.gz JNCOHQMOVLUWBK-OKILXGFUSA-N 1 0 231.343 2.412 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ncc(C)cn1 ZINC000662087971 411982971 /nfs/dbraw/zinc/98/29/71/411982971.db2.gz RNJCYOIXFAWBJD-BETUJISGSA-N 1 0 229.327 2.468 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cncn1C ZINC000662089522 411983377 /nfs/dbraw/zinc/98/33/77/411983377.db2.gz BNKCAJVACPIJLD-BETUJISGSA-N 1 0 231.343 2.146 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)c1nnc(C)[nH]1 ZINC000662089416 411983397 /nfs/dbraw/zinc/98/33/97/411983397.db2.gz XZQCNMJCBIZENV-JLLWLGSASA-N 1 0 232.331 2.357 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CC(F)(F)F ZINC000662091272 411986298 /nfs/dbraw/zinc/98/62/98/411986298.db2.gz VXVQMISEYCMUTC-AXFHLTTASA-N 1 0 249.276 2.483 20 30 BEEDRO C=CCCCC[N@@H+]1CCc2nccnc2C1 ZINC000662118640 411989724 /nfs/dbraw/zinc/98/97/24/411989724.db2.gz AJVBNMRMQABPLN-UHFFFAOYSA-N 1 0 217.316 2.191 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCOc1cc(C)cc(C)c1 ZINC000662167784 412015594 /nfs/dbraw/zinc/01/55/94/412015594.db2.gz PTQHVPVLIPKMRH-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCc1cccc(C)c1 ZINC000662168306 412016643 /nfs/dbraw/zinc/01/66/43/412016643.db2.gz ATNGKXXCDOCVLY-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO C=C[C@H](CO)NCc1ncc(Cl)cc1Cl ZINC000662168408 412016773 /nfs/dbraw/zinc/01/67/73/412016773.db2.gz FFKLSRKWRMHTQH-MRVPVSSYSA-N 1 0 247.125 2.025 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030207 411945950 /nfs/dbraw/zinc/94/59/50/411945950.db2.gz LGPYRLOIHRPUAA-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000662043353 411960658 /nfs/dbraw/zinc/96/06/58/411960658.db2.gz JKXVTRNWKUQVHZ-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCC[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664874779 412035905 /nfs/dbraw/zinc/03/59/05/412035905.db2.gz PTWKUVLOJSNQBM-UHFFFAOYSA-N 1 0 233.359 2.381 20 30 BEEDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc(C#N)c2)C[C@@H]1O ZINC000275702061 171095736 /nfs/dbraw/zinc/09/57/36/171095736.db2.gz QQFYCJXBDWJHAE-KYOSRNDESA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@]1(CO)CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000190220190 171210350 /nfs/dbraw/zinc/21/03/50/171210350.db2.gz WEGFTLRVVUYZPC-CQSZACIVSA-N 1 0 248.326 2.136 20 30 BEEDRO CC[C@@]1(O)CC[N@H+](Cc2cccc(C#N)c2F)C1 ZINC000336529401 171214131 /nfs/dbraw/zinc/21/41/31/171214131.db2.gz BTEBFNMQQALTTP-CQSZACIVSA-N 1 0 248.301 2.044 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1cc(C#N)ccn1 ZINC000218079597 171308350 /nfs/dbraw/zinc/30/83/50/171308350.db2.gz PDGIMWWZJLJPGM-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C#N)cn1 ZINC000227920416 171308543 /nfs/dbraw/zinc/30/85/43/171308543.db2.gz BCWWOFPLJBOBKB-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[C@H](C)[NH+]1CCC(C#N)(COC)CC1 ZINC000341982047 171317400 /nfs/dbraw/zinc/31/74/00/171317400.db2.gz CSXGJSKJFJSRDU-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000662376809 412129775 /nfs/dbraw/zinc/12/97/75/412129775.db2.gz SAQGVFAABJEQHG-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[C@]1(C(=O)N2CCCCCC2)CCC[NH2+]1 ZINC000662430363 412168236 /nfs/dbraw/zinc/16/82/36/412168236.db2.gz ZBUKCGWPSDVPOW-CQSZACIVSA-N 1 0 236.359 2.087 20 30 BEEDRO C=CC[C@@]1(C(=O)N2CCCCCC2)CCC[NH2+]1 ZINC000662430360 412168267 /nfs/dbraw/zinc/16/82/67/412168267.db2.gz ZBUKCGWPSDVPOW-AWEZNQCLSA-N 1 0 236.359 2.087 20 30 BEEDRO CC[C@H](O)CC[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000164621628 171561377 /nfs/dbraw/zinc/56/13/77/171561377.db2.gz GDLQXWARFPXNFH-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO CC[C@H](O)CC[NH2+][C@H]1CCc2ccc(C#N)cc21 ZINC000353267199 171562029 /nfs/dbraw/zinc/56/20/29/171562029.db2.gz PEHXUBRQLWWYOE-ZFWWWQNUSA-N 1 0 244.338 2.296 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000662630951 412249851 /nfs/dbraw/zinc/24/98/51/412249851.db2.gz OERWNTVCFHIBCB-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)CC[NH2+]C(C)C)C1 ZINC000662630955 412250390 /nfs/dbraw/zinc/25/03/90/412250390.db2.gz OERWNTVCFHIBCB-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]CCC)C1 ZINC000662636992 412252524 /nfs/dbraw/zinc/25/25/24/412252524.db2.gz UEPQULQKMYVMCZ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@H](C)[NH2+]CCC)C1 ZINC000662636993 412252696 /nfs/dbraw/zinc/25/26/96/412252696.db2.gz UEPQULQKMYVMCZ-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@H]([NH3+])CC(C)C)C1 ZINC000662635932 412253062 /nfs/dbraw/zinc/25/30/62/412253062.db2.gz PDCGPFCUGLNNAC-QWHCGFSZSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000662857318 412326391 /nfs/dbraw/zinc/32/63/91/412326391.db2.gz LDDDFBLGNBADCS-VXGBXAGGSA-N 1 0 238.375 2.175 20 30 BEEDRO CC[C@](C)(O)C[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353384901 171704156 /nfs/dbraw/zinc/70/41/56/171704156.db2.gz LTCMAJNFMTUZAW-CABCVRRESA-N 1 0 244.338 2.296 20 30 BEEDRO C[NH+](C)C1(CNCc2ccc(C#N)o2)CCCC1 ZINC000135133801 172403071 /nfs/dbraw/zinc/40/30/71/172403071.db2.gz BXRZQMALRRYJNZ-UHFFFAOYSA-N 1 0 247.342 2.115 20 30 BEEDRO C[NH+](C)CCNc1cc(Cl)ccc1C#N ZINC000062785157 172470460 /nfs/dbraw/zinc/47/04/60/172470460.db2.gz UEFYMJOBSITEMW-UHFFFAOYSA-N 1 0 223.707 2.185 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(C#N)n2)C1 ZINC000267204756 172537629 /nfs/dbraw/zinc/53/76/29/172537629.db2.gz ARDJJRYHLQDZIF-YPMHNXCESA-N 1 0 244.342 2.238 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2)C(C)(C)C1 ZINC000271057310 173087634 /nfs/dbraw/zinc/08/76/34/173087634.db2.gz RHQSFOYSQSGQCR-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C[N@@H+]1CCN(Cc2ccccc2C#N)C(C)(C)C1 ZINC000271052715 173087828 /nfs/dbraw/zinc/08/78/28/173087828.db2.gz QEGXZEFUDJIMJY-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO COC1CC[NH+](CC#Cc2ccccc2)CC1 ZINC000276809374 174029205 /nfs/dbraw/zinc/02/92/05/174029205.db2.gz NUJWEHXWIJZKAZ-UHFFFAOYSA-N 1 0 229.323 2.149 20 30 BEEDRO COCC(C)(C)[N@H+](C)Cc1ccc(C#N)o1 ZINC000292833388 174077457 /nfs/dbraw/zinc/07/74/57/174077457.db2.gz RMXNPAZONKNWMJ-UHFFFAOYSA-N 1 0 222.288 2.008 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000282018281 174102844 /nfs/dbraw/zinc/10/28/44/174102844.db2.gz NHLBILRKVUWSOM-UHFFFAOYSA-N 1 0 234.299 2.058 20 30 BEEDRO COCCC(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191596579 174143335 /nfs/dbraw/zinc/14/33/35/174143335.db2.gz JXNNPWVQCAKICH-UHFFFAOYSA-N 1 0 249.358 2.049 20 30 BEEDRO COCCC(C)(C)C[NH2+]Cc1ccc(C#N)o1 ZINC000185287290 174143920 /nfs/dbraw/zinc/14/39/20/174143920.db2.gz RUXWHQBLWYBEMT-UHFFFAOYSA-N 1 0 236.315 2.304 20 30 BEEDRO COCCC1([NH2+]Cc2ccc(C#N)o2)CCC1 ZINC000355488617 174158856 /nfs/dbraw/zinc/15/88/56/174158856.db2.gz VJBSPPVECOGPEG-UHFFFAOYSA-N 1 0 234.299 2.200 20 30 BEEDRO COCCCCC[NH2+]Cc1ccc(C#N)cc1 ZINC000058475334 174183600 /nfs/dbraw/zinc/18/36/00/174183600.db2.gz IVXMPCVNOJFNPX-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO COCCCC[NH2+]Cc1cccc(C#N)c1 ZINC000044349860 174200012 /nfs/dbraw/zinc/20/00/12/174200012.db2.gz WTKABHHOMSRNPU-UHFFFAOYSA-N 1 0 218.300 2.074 20 30 BEEDRO COCC[N@H+](C)CC#Cc1cccc(Cl)c1 ZINC000156278796 174275088 /nfs/dbraw/zinc/27/50/88/174275088.db2.gz KYAGQDQVWAMECR-UHFFFAOYSA-N 1 0 237.730 2.270 20 30 BEEDRO COCC[N@@H+](Cc1ccc(C#N)o1)CC(C)C ZINC000092563405 174300161 /nfs/dbraw/zinc/30/01/61/174300161.db2.gz ABUXNROQRWQUOL-UHFFFAOYSA-N 1 0 236.315 2.256 20 30 BEEDRO C=CCCc1ccccc1NC(=O)NC[C@H](C)[NH3+] ZINC000667566515 487628754 /nfs/dbraw/zinc/62/87/54/487628754.db2.gz QSIICRXDHLMJJW-NSHDSACASA-N 1 0 247.342 2.274 20 30 BEEDRO CO[C@H]1C[N@H+](Cc2ccc(C#N)o2)CC[C@@H]1C ZINC000188305523 174896512 /nfs/dbraw/zinc/89/65/12/174896512.db2.gz BKNVQSWXBJVCLH-GWCFXTLKSA-N 1 0 234.299 2.008 20 30 BEEDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccc(C#N)cc1 ZINC000124456328 175867253 /nfs/dbraw/zinc/86/72/53/175867253.db2.gz ZTWVZIRUVYCGDA-LLVKDONJSA-N 1 0 230.311 2.124 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1ccncc1 ZINC000042224864 175874305 /nfs/dbraw/zinc/87/43/05/175874305.db2.gz ABJJRKOFOBBBEJ-LLVKDONJSA-N 1 0 203.289 2.426 20 30 BEEDRO C=CCCC[NH2+]Cc1ccc(C)c(OC)n1 ZINC001652361740 1173069805 /nfs/dbraw/zinc/06/98/05/1173069805.db2.gz LIDDEACYYZKLAR-UHFFFAOYSA-N 1 0 220.316 2.454 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124243665 176013476 /nfs/dbraw/zinc/01/34/76/176013476.db2.gz FHDZQMGADHOOAX-SWLSCSKDSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000292993109 176013721 /nfs/dbraw/zinc/01/37/21/176013721.db2.gz CHEIAKZVHNNKEL-SWLSCSKDSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CCCCO ZINC000276380016 176016423 /nfs/dbraw/zinc/01/64/23/176016423.db2.gz LJSIESQLDSJFHJ-LBPRGKRZSA-N 1 0 232.327 2.324 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000187711204 176017162 /nfs/dbraw/zinc/01/71/62/176017162.db2.gz DLUVRKHGWMSXIP-SMDDNHRTSA-N 1 0 230.311 2.076 20 30 BEEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc(C#N)c1 ZINC000191260527 176055595 /nfs/dbraw/zinc/05/55/95/176055595.db2.gz WNUGAQPTWFCXHQ-VXGBXAGGSA-N 1 0 244.338 2.292 20 30 BEEDRO C[C@@H]1CCC[C@H](CO)[N@@H+]1Cc1ccccc1C#N ZINC000269707314 176139955 /nfs/dbraw/zinc/13/99/55/176139955.db2.gz OGWVJLVQWOENDY-IUODEOHRSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@@H]1CC[C@H]([N@H+](CCO)Cc2ccc(C#N)o2)C1 ZINC000356373498 176229436 /nfs/dbraw/zinc/22/94/36/176229436.db2.gz VXZQHPCXDJMFTC-NEPJUHHUSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)[C@@H]1C ZINC000293464160 176291930 /nfs/dbraw/zinc/29/19/30/176291930.db2.gz QKFNIXNMPMCTEF-VXGBXAGGSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000353037759 176339049 /nfs/dbraw/zinc/33/90/49/176339049.db2.gz KYVJVVIUWIBDOS-IUODEOHRSA-N 1 0 244.338 2.320 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000277928314 176340893 /nfs/dbraw/zinc/34/08/93/176340893.db2.gz QIJJRVYACUIGHA-SKDRFNHKSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C#N ZINC000277690324 176341787 /nfs/dbraw/zinc/34/17/87/176341787.db2.gz HIIUQMXHBMUZLN-RISCZKNCSA-N 1 0 230.311 2.073 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000336278174 176345006 /nfs/dbraw/zinc/34/50/06/176345006.db2.gz NNGFQLFLTIMLNN-QMTHXVAHSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@@H]1CSCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000190843502 176350500 /nfs/dbraw/zinc/35/05/00/176350500.db2.gz ZSLJBYMLRCNMFJ-NSHDSACASA-N 1 0 249.383 2.082 20 30 BEEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(C#N)n(C)c2)C1 ZINC000191161102 176361978 /nfs/dbraw/zinc/36/19/78/176361978.db2.gz TZHRRXRLXFPFGQ-VXGBXAGGSA-N 1 0 231.343 2.375 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000271326958 176370282 /nfs/dbraw/zinc/37/02/82/176370282.db2.gz FEOXGRJETIZZSS-DOMZBBRYSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(Cl)cc2C#N)C1 ZINC000127357647 176773526 /nfs/dbraw/zinc/77/35/26/176773526.db2.gz WXUQNVONEAVCHZ-UWVGGRQHSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(C#N)s1)[C@@H]1CCCO1 ZINC000135496458 176874051 /nfs/dbraw/zinc/87/40/51/176874051.db2.gz UVGHFBOZYPEUTC-CABZTGNLSA-N 1 0 236.340 2.277 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(F)cc1C#N)[C@H]1CCOC1 ZINC000337215646 176874877 /nfs/dbraw/zinc/87/48/77/176874877.db2.gz GVSPAIDJWUOICW-JQWIXIFHSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)[C@@H]1CCOC1 ZINC000162661794 176875584 /nfs/dbraw/zinc/87/55/84/176875584.db2.gz QBLLBXXLQZJNOU-CMPLNLGQSA-N 1 0 248.301 2.212 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)CCC(=O)OC ZINC001652392508 1173075306 /nfs/dbraw/zinc/07/53/06/1173075306.db2.gz NDQNQGJYMNHQTJ-UHFFFAOYSA-N 1 0 239.359 2.455 20 30 BEEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1C#N ZINC000159235950 177002253 /nfs/dbraw/zinc/00/22/53/177002253.db2.gz FPQLACDCCSAXKB-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]1CCC[N@@H+]1CCOc1ccccc1C#N ZINC000037910774 177109344 /nfs/dbraw/zinc/10/93/44/177109344.db2.gz GVLVYVAEARARJI-LBPRGKRZSA-N 1 0 230.311 2.421 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1nc(C#N)cs1 ZINC000335913721 177142501 /nfs/dbraw/zinc/14/25/01/177142501.db2.gz GCKSKLPTCOQZEW-WCBMZHEXSA-N 1 0 221.329 2.293 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000040718167 177165541 /nfs/dbraw/zinc/16/55/41/177165541.db2.gz JFWVOSQGDRWXLX-NSHDSACASA-N 1 0 200.285 2.400 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1ccc(C#N)cc1 ZINC000293039004 177253286 /nfs/dbraw/zinc/25/32/86/177253286.db2.gz QNCPWCRMIBXBIW-NWDGAFQWSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@@H]1CN(Cc2ccccc2C#N)C[C@H](C)[N@H+]1C ZINC000135273100 177266623 /nfs/dbraw/zinc/26/66/23/177266623.db2.gz UAOLDPGGPKVJSW-BETUJISGSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H]1C[NH+]=C(NCC(C)(C)c2ccc(F)cc2)N1 ZINC000262687829 177278891 /nfs/dbraw/zinc/27/88/91/177278891.db2.gz ZDNFNRSRYSZHBC-JTQLQIEISA-N 1 0 249.333 2.041 20 30 BEEDRO C[C@H]1CSCC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000190843484 177303783 /nfs/dbraw/zinc/30/37/83/177303783.db2.gz ZSLJBYMLRCNMFJ-LLVKDONJSA-N 1 0 249.383 2.082 20 30 BEEDRO C[C@H]1C[C@@H](NCc2ccc(C#N)s2)CC[N@@H+]1C ZINC000135693762 177331627 /nfs/dbraw/zinc/33/16/27/177331627.db2.gz DDOXLMLHTGCNHL-QWRGUYRKSA-N 1 0 249.383 2.192 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000070357229 177332546 /nfs/dbraw/zinc/33/25/46/177332546.db2.gz ACUIPBIIAOUDIU-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1C[C@@H](O)CCN1Cc1ccc(C#N)cc1F ZINC000292533568 177336298 /nfs/dbraw/zinc/33/62/98/177336298.db2.gz XFMGJVNMEBRULX-GWCFXTLKSA-N 1 0 248.301 2.043 20 30 BEEDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000336465314 177359797 /nfs/dbraw/zinc/35/97/97/177359797.db2.gz JAJWKEMQTVRSRQ-QWRGUYRKSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@H]1C[C@H](C[NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000271513813 177363301 /nfs/dbraw/zinc/36/33/01/177363301.db2.gz POLNBPHOALDBNO-SWLSCSKDSA-N 1 0 244.338 2.463 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CCO1 ZINC000070357205 177370396 /nfs/dbraw/zinc/37/03/96/177370396.db2.gz HIPLWRKSIZJZII-SMDDNHRTSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000135467972 177381988 /nfs/dbraw/zinc/38/19/88/177381988.db2.gz BINSXPHZHXZIRI-GWCFXTLKSA-N 1 0 200.285 2.304 20 30 BEEDRO C[C@H]1[NH2+]CCC[C@@H]1Nc1ccc(C#N)cc1F ZINC000229600752 177394848 /nfs/dbraw/zinc/39/48/48/177394848.db2.gz DLWGMJGDBHSZBS-SKDRFNHKSA-N 1 0 233.290 2.250 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(F)cc1C#N ZINC000334152260 177403743 /nfs/dbraw/zinc/40/37/43/177403743.db2.gz VOWBAASAXURCDW-QMTHXVAHSA-N 1 0 248.301 2.354 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(C)ccc1NC ZINC001652433642 1173080334 /nfs/dbraw/zinc/08/03/34/1173080334.db2.gz URTBWEDIFBSRJF-NSHDSACASA-N 1 0 202.301 2.148 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(COC)CC1 ZINC001652477039 1173089816 /nfs/dbraw/zinc/08/98/16/1173089816.db2.gz WQJUVNTXCAEPBR-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@H]1CCC[C@@H]1C ZINC000488059897 225346624 /nfs/dbraw/zinc/34/66/24/225346624.db2.gz HEZHDSCDJBSHIP-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@]1(CO)CCC[C@@H]1[NH2+]CC#Cc1ccccc1 ZINC000492914182 226082590 /nfs/dbraw/zinc/08/25/90/226082590.db2.gz TWVQVYWULRHRQV-JKSUJKDBSA-N 1 0 243.350 2.179 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1CCSC1)C1CC1 ZINC000494945621 226271986 /nfs/dbraw/zinc/27/19/86/226271986.db2.gz GPTHUMYGQNHUDE-GHMZBOCLSA-N 1 0 224.373 2.364 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000400627712 226348033 /nfs/dbraw/zinc/34/80/33/226348033.db2.gz QQRTVXKRNUKQJR-OAHLLOKOSA-N 1 0 244.338 2.465 20 30 BEEDRO C=CCC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000183159808 487668753 /nfs/dbraw/zinc/66/87/53/487668753.db2.gz WGDDTEVTVDOUKP-XJKSGUPXSA-N 1 0 237.368 2.272 20 30 BEEDRO C[NH+](C)CC(C)(C)NCc1cccc(C#N)c1F ZINC000308636270 229237630 /nfs/dbraw/zinc/23/76/30/229237630.db2.gz MWFCTSHVPATVDR-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO Cc1nc(NC(C)(C)C[NH+](C)C)ccc1C#N ZINC000308658728 229238535 /nfs/dbraw/zinc/23/85/35/229238535.db2.gz NMFFUYGIGUCNKD-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1F ZINC000404053975 229362606 /nfs/dbraw/zinc/36/26/06/229362606.db2.gz GEWQVDAEMAIOSZ-LBPRGKRZSA-N 1 0 248.301 2.214 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)c(F)c2)CCCO1 ZINC000404066689 229364177 /nfs/dbraw/zinc/36/41/77/229364177.db2.gz KBJSJJGKMFVADR-AWEZNQCLSA-N 1 0 248.301 2.356 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2=CCCOC2)cc1F ZINC000404104736 229371567 /nfs/dbraw/zinc/37/15/67/229371567.db2.gz XWBQLCFPJJJTKA-UHFFFAOYSA-N 1 0 246.285 2.134 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404190650 229377852 /nfs/dbraw/zinc/37/78/52/229377852.db2.gz DNFMZVDQTUHBAI-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000681002393 487692760 /nfs/dbraw/zinc/69/27/60/487692760.db2.gz ARYDOWFOUSUTAX-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCOc2ccc(C)cc2C1 ZINC000671723461 487708526 /nfs/dbraw/zinc/70/85/26/487708526.db2.gz XCCUXQOTKHASBC-AWEZNQCLSA-N 1 0 247.338 2.126 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(C#N)s2)O1 ZINC000398114601 267029162 /nfs/dbraw/zinc/02/91/62/267029162.db2.gz ZUNJYZWXENCWJR-NXEZZACHSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CC=CC2)o1 ZINC000527750821 268232429 /nfs/dbraw/zinc/23/24/29/268232429.db2.gz QTMKYMAFLDDIOU-UHFFFAOYSA-N 1 0 202.257 2.207 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@](C)(CC)C1 ZINC000649330147 487734247 /nfs/dbraw/zinc/73/42/47/487734247.db2.gz BFEATNQGVITOLV-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CCC#C[C@H](C)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000679219816 487783870 /nfs/dbraw/zinc/78/38/70/487783870.db2.gz JJSHHVRTSSVCKA-BFHYXJOUSA-N 1 0 223.360 2.271 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)C)C[C@@H]1CC ZINC000681450867 487797801 /nfs/dbraw/zinc/79/78/01/487797801.db2.gz IFUQMVRIOCUCEB-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCc3ccccc32)C1 ZINC000592153313 487807576 /nfs/dbraw/zinc/80/75/76/487807576.db2.gz LSHMYDWKCVJATE-GJZGRUSLSA-N 1 0 242.322 2.024 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000815233209 586675133 /nfs/dbraw/zinc/67/51/33/586675133.db2.gz CUQVXFWNEFCMLA-GFCCVEGCSA-N 1 0 231.767 2.469 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000335829924 487838035 /nfs/dbraw/zinc/83/80/35/487838035.db2.gz SOKPJIMZBFNSSV-ZDUSSCGKSA-N 1 0 231.343 2.375 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2OCC)C1 ZINC000651825229 487838216 /nfs/dbraw/zinc/83/82/16/487838216.db2.gz IWWZPQVICGIQJN-REWJHTLYSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@]1(C)CC ZINC000845954089 588251434 /nfs/dbraw/zinc/25/14/34/588251434.db2.gz LZIDWGKJFFLDNF-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](OC)C1CCC1 ZINC000852104880 588663799 /nfs/dbraw/zinc/66/37/99/588663799.db2.gz PAOIJAFHTNCGRW-CHWSQXEVSA-N 1 0 209.333 2.193 20 30 BEEDRO C=CCCC(=O)O[C@H](C[NH+](C)C)C(C)C ZINC000870569544 589677043 /nfs/dbraw/zinc/67/70/43/589677043.db2.gz BTTQZMAQBYLUPR-LLVKDONJSA-N 1 0 213.321 2.082 20 30 BEEDRO CCCC[NH+]1CCC(C#N)(COC)CC1 ZINC000341981536 487846859 /nfs/dbraw/zinc/84/68/59/487846859.db2.gz CCLYSUIFTBRGHT-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905272807 637731581 /nfs/dbraw/zinc/73/15/81/637731581.db2.gz KWFKFNBWVDCVGY-SNVBAGLBSA-N 1 0 239.281 2.492 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nccnc2OC)C1 ZINC000668494050 487852198 /nfs/dbraw/zinc/85/21/98/487852198.db2.gz UZDXBRJKXUWJIC-GFCCVEGCSA-N 1 0 247.342 2.273 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)C ZINC000300959154 645899048 /nfs/dbraw/zinc/89/90/48/645899048.db2.gz QRBDGZNRKSVWBF-VXGBXAGGSA-N 1 0 209.333 2.191 20 30 BEEDRO CCC#C[C@@H](C)N(C)CC1([NH+](C)C)CCC1 ZINC000682095326 487909435 /nfs/dbraw/zinc/90/94/35/487909435.db2.gz SGRHLYVONUBUTI-CYBMUJFWSA-N 1 0 222.376 2.204 20 30 BEEDRO C=CCC1([NH2+]CC[C@@H]2CCOC2)CCOCC1 ZINC000668551101 487920972 /nfs/dbraw/zinc/92/09/72/487920972.db2.gz HTMDEHFOWQNYIO-CYBMUJFWSA-N 1 0 239.359 2.128 20 30 BEEDRO C=CCC1([NH2+][C@H]2CCCOCC2)CCOCC1 ZINC000668551310 487921813 /nfs/dbraw/zinc/92/18/13/487921813.db2.gz JVJSRYZUIFOTMD-ZDUSSCGKSA-N 1 0 239.359 2.270 20 30 BEEDRO N#CCCNCc1ccnc(OC2CCCC2)c1 ZINC000566557415 323005124 /nfs/dbraw/zinc/00/51/24/323005124.db2.gz ZDXXGOPHLVJQCX-UHFFFAOYSA-N 1 0 245.326 2.406 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c(C)nn(C)c1C ZINC000157573689 323009839 /nfs/dbraw/zinc/00/98/39/323009839.db2.gz TZZAOLDOGWCPAW-UHFFFAOYSA-N 1 0 221.348 2.435 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCCC[C@H]1C ZINC000248579756 323025687 /nfs/dbraw/zinc/02/56/87/323025687.db2.gz FDBNIWFNYQUVSB-JHJVBQTASA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000248659138 323029739 /nfs/dbraw/zinc/02/97/39/323029739.db2.gz YNRZKAGRGOPPCQ-WUHRBBMRSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000569697844 323037460 /nfs/dbraw/zinc/03/74/60/323037460.db2.gz XZHAZGJIYPBJSS-AAEUAGOBSA-N 1 0 209.333 2.188 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000336781054 323085576 /nfs/dbraw/zinc/08/55/76/323085576.db2.gz TVCOGPMJAZFJDC-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCCCC(C)(C)C1 ZINC000446057945 323087367 /nfs/dbraw/zinc/08/73/67/323087367.db2.gz CJYQRWSBEUIVPS-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000563126025 323094247 /nfs/dbraw/zinc/09/42/47/323094247.db2.gz QQQLUUVMMLWNOG-RYUDHWBXSA-N 1 0 238.375 2.330 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[S@](=O)C[C@@H](C)C1 ZINC000365517667 323097513 /nfs/dbraw/zinc/09/75/13/323097513.db2.gz UNAFBHIELDNMTN-BBRMVZONSA-N 1 0 243.416 2.433 20 30 BEEDRO C=C(C)C[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000048045363 323114300 /nfs/dbraw/zinc/11/43/00/323114300.db2.gz KLTDWSCYZRFUKH-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000531868405 323118706 /nfs/dbraw/zinc/11/87/06/323118706.db2.gz JTJKDGSCFKBENX-TUAOUCFPSA-N 1 0 229.389 2.139 20 30 BEEDRO CC#CC[N@@H+](C)CCC(C)(C)CC(=O)OCC ZINC000339765079 323121174 /nfs/dbraw/zinc/12/11/74/323121174.db2.gz ZUBMHNQWRWPCPN-UHFFFAOYSA-N 1 0 239.359 2.311 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000563367938 323121586 /nfs/dbraw/zinc/12/15/86/323121586.db2.gz XYBHXBXNVKKGGO-LSDHHAIUSA-N 1 0 246.354 2.262 20 30 BEEDRO C=C(C)CN[C@H](C(=O)OC)C1CCCCC1 ZINC000309975779 323122817 /nfs/dbraw/zinc/12/28/17/323122817.db2.gz SOCVPXBJWJMXIB-LBPRGKRZSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000571634814 323150075 /nfs/dbraw/zinc/15/00/75/323150075.db2.gz DTWNONKYXNGPOH-AWEZNQCLSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305123286 323167452 /nfs/dbraw/zinc/16/74/52/323167452.db2.gz HQYCSQFMBYBDBD-JTQLQIEISA-N 1 0 237.265 2.198 20 30 BEEDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000305203266 323168077 /nfs/dbraw/zinc/16/80/77/323168077.db2.gz WWKXYIHSMJOREJ-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCOc1ccc(C[N@H+](CCC)CCO)cc1 ZINC000161194661 323174294 /nfs/dbraw/zinc/17/42/94/323174294.db2.gz VOZIDYSQUDZRTL-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H](C)C[S@](C)=O)C1CC1 ZINC000134893828 323177883 /nfs/dbraw/zinc/17/78/83/323177883.db2.gz FTBGBFBLFFTZGA-ITDIGPHOSA-N 1 0 229.389 2.088 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC1(F)CC1 ZINC000308817926 323178941 /nfs/dbraw/zinc/17/89/41/323178941.db2.gz BDSFOPWFKKZBOB-QWRGUYRKSA-N 1 0 213.296 2.059 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCCOc1ccccc1 ZINC000677046679 487957476 /nfs/dbraw/zinc/95/74/76/487957476.db2.gz GKYZDCJKLZZCPF-OAHLLOKOSA-N 1 0 249.354 2.324 20 30 BEEDRO C=C(C)C[N@H+](CC)CCC(=O)NC1CCCC1 ZINC000052440644 323193225 /nfs/dbraw/zinc/19/32/25/323193225.db2.gz RVIHEIYTASSMJH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)NC1CCCC1 ZINC000052441240 323193258 /nfs/dbraw/zinc/19/32/58/323193258.db2.gz FPWBPHJWSUPTDG-UHFFFAOYSA-N 1 0 236.359 2.109 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000398952596 323195432 /nfs/dbraw/zinc/19/54/32/323195432.db2.gz FGLIKPWVVDKAAV-CQSZACIVSA-N 1 0 244.338 2.267 20 30 BEEDRO C[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399123711 323197401 /nfs/dbraw/zinc/19/74/01/323197401.db2.gz IXMICQRLLCNDFN-WFASDCNBSA-N 1 0 244.338 2.267 20 30 BEEDRO C=CCCCN(C)C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399410627 323205936 /nfs/dbraw/zinc/20/59/36/323205936.db2.gz VYCPRTRYSFJCKW-NEPJUHHUSA-N 1 0 226.364 2.030 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](C(=O)OC)[C@@H](C)C1 ZINC000352420197 323233259 /nfs/dbraw/zinc/23/32/59/323233259.db2.gz ABRSHGWIQCLMKY-RYUDHWBXSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCN1CCC([NH2+]CC2(C)CC2)CC1 ZINC000309142398 323320075 /nfs/dbraw/zinc/32/00/75/323320075.db2.gz UCJXSPLSZCNAFA-UHFFFAOYSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)sc1C ZINC000309168639 323322746 /nfs/dbraw/zinc/32/27/46/323322746.db2.gz KEEKAMBCCISQFV-LBPRGKRZSA-N 1 0 225.357 2.392 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000309189364 323325978 /nfs/dbraw/zinc/32/59/78/323325978.db2.gz PLSDFIFYJAUUQM-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1CNc1cc(C)cc[nH+]1 ZINC000425280524 323433865 /nfs/dbraw/zinc/43/38/65/323433865.db2.gz KHQBUONUJGZGSV-RYUDHWBXSA-N 1 0 218.300 2.393 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000571994829 323519574 /nfs/dbraw/zinc/51/95/74/323519574.db2.gz ZEIRCFPPKFFUJU-CYBMUJFWSA-N 1 0 229.327 2.159 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccnc2ccccc12 ZINC000320415501 323571266 /nfs/dbraw/zinc/57/12/66/323571266.db2.gz RHJBKDUQZNGHRV-ZDUSSCGKSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000121161948 324006519 /nfs/dbraw/zinc/00/65/19/324006519.db2.gz GPZIWPCYHWDDND-XQQFMLRXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000121161776 324006841 /nfs/dbraw/zinc/00/68/41/324006841.db2.gz GPZIWPCYHWDDND-UPJWGTAASA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000121436112 324013608 /nfs/dbraw/zinc/01/36/08/324013608.db2.gz QTMFPINETUOXHE-UHFFFAOYSA-N 1 0 249.339 2.066 20 30 BEEDRO C=CC[N@H+](C)CCCOc1cccc(C#N)c1 ZINC000121525355 324015736 /nfs/dbraw/zinc/01/57/36/324015736.db2.gz GIVYHQUQVIJELD-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C[C@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@H]1O ZINC000250089399 324204353 /nfs/dbraw/zinc/20/43/53/324204353.db2.gz QCHOQEGFYJCTCY-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(OCC)cn1 ZINC000682434953 487962581 /nfs/dbraw/zinc/96/25/81/487962581.db2.gz FILIMFHINVFFKF-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO N#CCN1CC[NH+](CC2CCCCCC2)CC1 ZINC000129922042 324995332 /nfs/dbraw/zinc/99/53/32/324995332.db2.gz UIHNCPJHKFVWGV-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C=CCCC[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000071275381 325064495 /nfs/dbraw/zinc/06/44/95/325064495.db2.gz PAGCEGMONNVCOP-UHFFFAOYSA-N 1 0 240.347 2.163 20 30 BEEDRO C[N@H+](CCC1CCOCC1)C[C@@H](C#N)CCC#N ZINC000131365348 325142772 /nfs/dbraw/zinc/14/27/72/325142772.db2.gz GVWVNTGJCOWKJP-CQSZACIVSA-N 1 0 249.358 2.178 20 30 BEEDRO C[N@H+](CCC1CCOCC1)C[C@H](C#N)CCC#N ZINC000131365126 325143240 /nfs/dbraw/zinc/14/32/40/325143240.db2.gz GVWVNTGJCOWKJP-AWEZNQCLSA-N 1 0 249.358 2.178 20 30 BEEDRO C=CC1CC[NH+](Cc2ccc(OC)nc2)CC1 ZINC000131613498 325169786 /nfs/dbraw/zinc/16/97/86/325169786.db2.gz KMQJKMXJVXVZCI-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000545247379 325201223 /nfs/dbraw/zinc/20/12/23/325201223.db2.gz XKUVVKQDRZVAGO-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]C1(C(=O)NCCC)CCCCC1 ZINC000132301218 325209818 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487521099 /nfs/dbraw/zinc/52/10/99/487521099.db2.gz ZDLMHNBZSWTJNM-OAHLLOKOSA-N 1 0 246.354 2.202 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC000680091379 487535276 /nfs/dbraw/zinc/53/52/76/487535276.db2.gz MORQSNGTQRELOP-NEPJUHHUSA-N 1 0 211.349 2.291 20 30 BEEDRO COCC#CC[N@@H+]1CCC[C@@H]1c1cccc(C)n1 ZINC000677820233 488137593 /nfs/dbraw/zinc/13/75/93/488137593.db2.gz JZERKCSGVPAYPU-OAHLLOKOSA-N 1 0 244.338 2.177 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000677820832 488137947 /nfs/dbraw/zinc/13/79/47/488137947.db2.gz YRGVLMYZDIIBBA-CQSZACIVSA-N 1 0 215.296 2.083 20 30 BEEDRO C=C[C@H](CC(=O)N(C)CC[NH2+]C)c1ccccc1 ZINC000518380856 488144329 /nfs/dbraw/zinc/14/43/29/488144329.db2.gz BXHLNUZHJFIHIK-CYBMUJFWSA-N 1 0 246.354 2.024 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1Cc1cnc2n1CCC2 ZINC000668078233 488197929 /nfs/dbraw/zinc/19/79/29/488197929.db2.gz IMJQALGUQDGQRZ-LBPRGKRZSA-N 1 0 231.343 2.370 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cnc(C)n1C ZINC000668078899 488199138 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/nfs/dbraw/zinc/27/48/13/488274813.db2.gz GGNJCXUEPVAXSB-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO CCOc1ccc([C@@H](C)[NH2+]CC#CCOC)cc1 ZINC000678733440 488279705 /nfs/dbraw/zinc/27/97/05/488279705.db2.gz PVSJGIWGJRLQGR-CYBMUJFWSA-N 1 0 247.338 2.386 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000678735688 488279735 /nfs/dbraw/zinc/27/97/35/488279735.db2.gz WEEQBYRYLFKLHH-JQWIXIFHSA-N 1 0 249.310 2.003 20 30 BEEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1 ZINC000678736061 488280175 /nfs/dbraw/zinc/28/01/75/488280175.db2.gz SKEWCQUWQSBLBD-RISCZKNCSA-N 1 0 235.327 2.283 20 30 BEEDRO CCOc1cccc([C@@H](C)[NH2+]CC#CCOC)c1 ZINC000678756349 488280816 /nfs/dbraw/zinc/28/08/16/488280816.db2.gz DCYFJMORCDBHST-CYBMUJFWSA-N 1 0 247.338 2.386 20 30 BEEDRO COCC#CC[NH2+]C(C)(C)c1cccc(F)c1 ZINC000678782476 488282206 /nfs/dbraw/zinc/28/22/06/488282206.db2.gz QPBHHQPZEJRGDY-UHFFFAOYSA-N 1 0 235.302 2.300 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000679542119 488357421 /nfs/dbraw/zinc/35/74/21/488357421.db2.gz NKNWCKFKFKRKEY-WDEREUQCSA-N 1 0 249.276 2.299 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1ncccc1CC ZINC000679576108 488358997 /nfs/dbraw/zinc/35/89/97/488358997.db2.gz HTURUYITNSQBCU-GFCCVEGCSA-N 1 0 234.343 2.497 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H](CC)[NH2+]C)c1 ZINC000662406521 490066749 /nfs/dbraw/zinc/06/67/49/490066749.db2.gz GAVODZVUNYJIRJ-ZDUSSCGKSA-N 1 0 248.326 2.188 20 30 BEEDRO C=CCCn1cc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)nn1 ZINC000653766852 490098219 /nfs/dbraw/zinc/09/82/19/490098219.db2.gz VVOVQROTQFVFRM-XQQFMLRXSA-N 1 0 248.374 2.331 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)OCCO)C1 ZINC000651813064 490143608 /nfs/dbraw/zinc/14/36/08/490143608.db2.gz VQMOKEGWTYLVDJ-CHWSQXEVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000651813089 490143803 /nfs/dbraw/zinc/14/38/03/490143803.db2.gz WRNXZGWWMROJED-AVGNSLFASA-N 1 0 209.333 2.500 20 30 BEEDRO CC(C)C1([NH2+]C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000292910454 490182445 /nfs/dbraw/zinc/18/24/45/490182445.db2.gz FHZZATISRPLSKI-AWEZNQCLSA-N 1 0 244.338 2.370 20 30 BEEDRO CC(C)C1([NH2+]C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000292910457 490182669 /nfs/dbraw/zinc/18/26/69/490182669.db2.gz FHZZATISRPLSKI-CQSZACIVSA-N 1 0 244.338 2.370 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000555880800 490197816 /nfs/dbraw/zinc/19/78/16/490197816.db2.gz SRSQFBBXOUCZMR-CYBMUJFWSA-N 1 0 233.359 2.422 20 30 BEEDRO C=C(C)C[N@H+]1CCN(C)C[C@H]1Cc1ccccc1 ZINC000649830039 490206667 /nfs/dbraw/zinc/20/66/67/490206667.db2.gz UWHCDIRYPOGQFF-MRXNPFEDSA-N 1 0 244.382 2.421 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC000335413880 490301517 /nfs/dbraw/zinc/30/15/17/490301517.db2.gz BVMKCCNTFSKDAS-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO C[C@@H]([NH2+]CCCCC#N)c1ccccn1 ZINC000042224861 490381780 /nfs/dbraw/zinc/38/17/80/490381780.db2.gz CSRNKXWFTZDYPY-LLVKDONJSA-N 1 0 203.289 2.426 20 30 BEEDRO C[C@H]1CCNC[C@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000335516791 490394620 /nfs/dbraw/zinc/39/46/20/490394620.db2.gz UQGRXOGMJHCCBU-RJZJGCCBSA-N 1 0 235.375 2.046 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000651700183 491074035 /nfs/dbraw/zinc/07/40/35/491074035.db2.gz WRNXZGWWMROJED-JHJVBQTASA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000651807971 491075729 /nfs/dbraw/zinc/07/57/29/491075729.db2.gz ANUDONGSDDUCIV-RTXFEEFZSA-N 1 0 209.333 2.092 20 30 BEEDRO CO[C@H]1CCC[N@H+](C[C@@H](C)CCC#N)CC1 ZINC000602604187 491087639 /nfs/dbraw/zinc/08/76/39/491087639.db2.gz YCCBOUUWTSMFGB-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](COC)CC(C)C ZINC000309164147 535726078 /nfs/dbraw/zinc/72/60/78/535726078.db2.gz IFJFWERJLUCXSU-NWDGAFQWSA-N 1 0 212.337 2.329 20 30 BEEDRO C[C@H](Cc1ccc(O)cc1)[NH2+]CC(C)(C)C#N ZINC000122237538 534145655 /nfs/dbraw/zinc/14/56/55/534145655.db2.gz ZPYWYAJUBMCUDP-LLVKDONJSA-N 1 0 232.327 2.463 20 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C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccco1 ZINC000280615433 534353714 /nfs/dbraw/zinc/35/37/14/534353714.db2.gz KNJRZWSALFHQNW-DGCLKSJQSA-N 1 0 221.300 2.350 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000358245419 534360129 /nfs/dbraw/zinc/36/01/29/534360129.db2.gz IPMMTBWPPXBNLF-CYDGBPFRSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000358497879 534374344 /nfs/dbraw/zinc/37/43/44/534374344.db2.gz XQMCJZQQNAPAPJ-CYBMUJFWSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000358497880 534375878 /nfs/dbraw/zinc/37/58/78/534375878.db2.gz XQMCJZQQNAPAPJ-ZDUSSCGKSA-N 1 0 208.349 2.121 20 30 BEEDRO C=C(CC)C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361494518 534378587 /nfs/dbraw/zinc/37/85/87/534378587.db2.gz ZIHYGZHGHBOVGT-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@H+](CCO)Cc1ccc(C)o1 ZINC000361517602 534378637 /nfs/dbraw/zinc/37/86/37/534378637.db2.gz DPWLQLPDLZRRDY-UHFFFAOYSA-N 1 0 223.316 2.349 20 30 BEEDRO C=C(CC)C[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000358072181 534382289 /nfs/dbraw/zinc/38/22/89/534382289.db2.gz CFKGWBMZFXFYDQ-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC)C[N@H+]1CCN(CC)[C@@H](c2ncc[nH]2)C1 ZINC000348395982 534389694 /nfs/dbraw/zinc/38/96/94/534389694.db2.gz FMPYOHAORCYUGP-CYBMUJFWSA-N 1 0 248.374 2.055 20 30 BEEDRO C=C(CC)C[N@@H+]1CCOCC2(CCC2)C1 ZINC000353568437 534393605 /nfs/dbraw/zinc/39/36/05/534393605.db2.gz JBTHMLKNPILHQX-UHFFFAOYSA-N 1 0 209.333 2.455 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)N(CC)C[C@H]1C ZINC000358821656 534398790 /nfs/dbraw/zinc/39/87/90/534398790.db2.gz WLOJSZBDGMYLHH-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(CC)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347800538 534399821 /nfs/dbraw/zinc/39/98/21/534399821.db2.gz SAYLZIBPUURMPS-UHFFFAOYSA-N 1 0 247.298 2.314 20 30 BEEDRO C=C(CC)C[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000353115856 534400409 /nfs/dbraw/zinc/40/04/09/534400409.db2.gz FNTXJLGFISKHBT-QWHCGFSZSA-N 1 0 237.343 2.084 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(Cl)o1 ZINC000308929737 534396485 /nfs/dbraw/zinc/39/64/85/534396485.db2.gz LSZRNFLBGGMQMU-VIFPVBQESA-N 1 0 229.707 2.207 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccc2cc[nH]c21 ZINC000341384365 534397112 /nfs/dbraw/zinc/39/71/12/534397112.db2.gz RUZFITJEJIRYFR-LBPRGKRZSA-N 1 0 244.338 2.442 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(COC)cc1 ZINC000341311844 534397889 /nfs/dbraw/zinc/39/78/89/534397889.db2.gz IQKCHCZSLBQTHH-HNNXBMFYSA-N 1 0 249.354 2.107 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)N(CC)C[C@H]1C ZINC000358821659 534401304 /nfs/dbraw/zinc/40/13/04/534401304.db2.gz WLOJSZBDGMYLHH-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000337430661 534401470 /nfs/dbraw/zinc/40/14/70/534401470.db2.gz FTBRGPDIGLYDJG-DGCLKSJQSA-N 1 0 225.332 2.084 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)OC2(CCOCC2)C1 ZINC000336551266 534401607 /nfs/dbraw/zinc/40/16/07/534401607.db2.gz JAQYOTSBNDJPDZ-ZDUSSCGKSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C[N@@H+]1C[C@H](C)N(CC)C[C@@H]1C ZINC000358821660 534401713 /nfs/dbraw/zinc/40/17/13/534401713.db2.gz WLOJSZBDGMYLHH-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CC(c2ccccc2)C1 ZINC000184264069 534406215 /nfs/dbraw/zinc/40/62/15/534406215.db2.gz RLAIXUUAVNSPRM-SHARSMKWSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CO)c1ccsc1 ZINC000308630373 534419020 /nfs/dbraw/zinc/41/90/20/534419020.db2.gz YROLITIESPYALZ-LLVKDONJSA-N 1 0 211.330 2.337 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CC(=O)NC)c1ccccc1 ZINC000361639937 534420066 /nfs/dbraw/zinc/42/00/66/534420066.db2.gz QZMFBOTXRQSMQG-AWEZNQCLSA-N 1 0 246.354 2.420 20 30 BEEDRO C=C(Cl)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367856968 534439024 /nfs/dbraw/zinc/43/90/24/534439024.db2.gz MVDZTHLBMLOGDJ-VXGBXAGGSA-N 1 0 228.767 2.298 20 30 BEEDRO C=C(Cl)C[N@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000374650411 534443515 /nfs/dbraw/zinc/44/35/15/534443515.db2.gz WZANFNCJGBMFAB-JQWIXIFHSA-N 1 0 243.734 2.014 20 30 BEEDRO CCCCCCCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000108788262 519961591 /nfs/dbraw/zinc/96/15/91/519961591.db2.gz OHQKIAPHNZKIOA-GFCCVEGCSA-N 1 0 226.364 2.297 20 30 BEEDRO CCCCCCCC(=O)NCC1CC[NH2+]CC1 ZINC000059082324 519964354 /nfs/dbraw/zinc/96/43/54/519964354.db2.gz DMNQEEUZRDINTK-UHFFFAOYSA-N 1 0 240.391 2.463 20 30 BEEDRO C=C1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000342009574 534466298 /nfs/dbraw/zinc/46/62/98/534466298.db2.gz RPZWUGGTMFHJLR-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=CC1CC[NH+](Cc2cccc(OC)n2)CC1 ZINC000171829599 534530229 /nfs/dbraw/zinc/53/02/29/534530229.db2.gz OZGZINHAMRKWBL-UHFFFAOYSA-N 1 0 232.327 2.488 20 30 BEEDRO C=CC1CC[NH+](Cc2cnc(C)cn2)CC1 ZINC000336575199 534529490 /nfs/dbraw/zinc/52/94/90/534529490.db2.gz CZPXWGMKECJRLG-UHFFFAOYSA-N 1 0 217.316 2.183 20 30 BEEDRO C=CC1CC[NH+]([C@@H](CC(C)C)C(=O)OC)CC1 ZINC000352024554 534533201 /nfs/dbraw/zinc/53/32/01/534533201.db2.gz HPWDSZJTENUXEN-ZDUSSCGKSA-N 1 0 239.359 2.472 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000352465394 534540586 /nfs/dbraw/zinc/54/05/86/534540586.db2.gz JKDIOFJEYXNVST-NSHDSACASA-N 1 0 235.258 2.208 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262657346 534563494 /nfs/dbraw/zinc/56/34/94/534563494.db2.gz XNYXGQQWCWNNSH-KGLIPLIRSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CCC(CC=C)C(=O)N[C@H](C)CCCC[NH3+] ZINC000292013871 534568985 /nfs/dbraw/zinc/56/89/85/534568985.db2.gz DLMJVHNYCASIJV-GFCCVEGCSA-N 1 0 238.375 2.389 20 30 BEEDRO C=CCCC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354440007 534604903 /nfs/dbraw/zinc/60/49/03/534604903.db2.gz SVAWNVOGXIICMZ-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000173598065 534609029 /nfs/dbraw/zinc/60/90/29/534609029.db2.gz XCLGPJOGKGFKNB-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C)CC[NH+](C)C ZINC000343879561 534613106 /nfs/dbraw/zinc/61/31/06/534613106.db2.gz NRVWMAWLCGBKMA-YPMHNXCESA-N 1 0 226.364 2.045 20 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BEEDRO C=C[C@H](CO)[NH2+][C@H]1CS[C@@H](C(C)(C)C)C1 ZINC000309075697 534685653 /nfs/dbraw/zinc/68/56/53/534685653.db2.gz KDUIOBCSTYREQR-GMTAPVOTSA-N 1 0 229.389 2.043 20 30 BEEDRO C=CCCCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000354116200 534686200 /nfs/dbraw/zinc/68/62/00/534686200.db2.gz WRZVMFGATPDPIG-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284935946 534688459 /nfs/dbraw/zinc/68/84/59/534688459.db2.gz NYJSBETWAGCZSX-UHFFFAOYSA-N 1 0 243.310 2.420 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000309061516 534694537 /nfs/dbraw/zinc/69/45/37/534694537.db2.gz WXUHJFZRKBAXAS-QWHCGFSZSA-N 1 0 210.365 2.273 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1cn(C)nc1C ZINC000336198350 534696895 /nfs/dbraw/zinc/69/68/95/534696895.db2.gz KIKYCISECYTZFX-ZDUSSCGKSA-N 1 0 219.332 2.269 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000121076277 534707201 /nfs/dbraw/zinc/70/72/01/534707201.db2.gz XDNKZEZFMJZFDT-HNNXBMFYSA-N 1 0 233.355 2.488 20 30 BEEDRO CC#CC[NH+]1CCC(c2ccccn2)CC1 ZINC000372214713 534708933 /nfs/dbraw/zinc/70/89/33/534708933.db2.gz ALLLTKAWHWUPDY-UHFFFAOYSA-N 1 0 214.312 2.284 20 30 BEEDRO CC#CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336261008 534709304 /nfs/dbraw/zinc/70/93/04/534709304.db2.gz DCWOXLXBSGKASL-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000357737700 534713144 /nfs/dbraw/zinc/71/31/44/534713144.db2.gz FMZIFDCCAZMYCL-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000360558149 534718404 /nfs/dbraw/zinc/71/84/04/534718404.db2.gz YQDPXUPHGVUZHI-NEPJUHHUSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000368938478 534718613 /nfs/dbraw/zinc/71/86/13/534718613.db2.gz MYXAIQBSYNDDPT-STQMWFEESA-N 1 0 237.343 2.023 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000368498434 534720705 /nfs/dbraw/zinc/72/07/05/534720705.db2.gz HUKAEFSNBJHXSW-CYBMUJFWSA-N 1 0 209.333 2.455 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000373811226 534722301 /nfs/dbraw/zinc/72/23/01/534722301.db2.gz LOMQYBBJHKOPGT-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)CC1CCCC1 ZINC000355288982 534768412 /nfs/dbraw/zinc/76/84/12/534768412.db2.gz ZYJMBBKCQTWTFX-ZDUSSCGKSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000309414078 534766598 /nfs/dbraw/zinc/76/65/98/534766598.db2.gz CIQHRXGUQFWJDP-GFCCVEGCSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](O)COc1ccccc1C ZINC000342736654 534767624 /nfs/dbraw/zinc/76/76/24/534767624.db2.gz JZTNNQOVGQGESL-CQSZACIVSA-N 1 0 249.354 2.243 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cc(C(=O)OCC)co1 ZINC000354924442 534768660 /nfs/dbraw/zinc/76/86/60/534768660.db2.gz OQXJMMKOPOIECX-UHFFFAOYSA-N 1 0 237.299 2.464 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ncc(C)s1 ZINC000294927799 534776048 /nfs/dbraw/zinc/77/60/48/534776048.db2.gz BVKCGUIWFZDJGP-UHFFFAOYSA-N 1 0 226.345 2.134 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccccc1O ZINC000120852827 534777207 /nfs/dbraw/zinc/77/72/07/534777207.db2.gz MTVVHBIFOHTDAE-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCC1CC(O)C1)C1CC1 ZINC000309570655 534795995 /nfs/dbraw/zinc/79/59/95/534795995.db2.gz MUIQWGJZXJIBRO-UXUKBGGZSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(=O)N(C)C)c1ccccc1 ZINC000180041169 534796820 /nfs/dbraw/zinc/79/68/20/534796820.db2.gz HNPZUUJJNMZMRI-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@](C)(O)CC)C1CC1 ZINC000121056161 534798187 /nfs/dbraw/zinc/79/81/87/534798187.db2.gz GFQCMRYMCLMWJT-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@]1(OC)CCOC1)C1CC1 ZINC000359396701 534798264 /nfs/dbraw/zinc/79/82/64/534798264.db2.gz NNKDCIQMWMOGFK-ZIAGYGMSSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@@H](C)CC ZINC000183044074 534822662 /nfs/dbraw/zinc/82/26/62/534822662.db2.gz UJNVSUJEUWCOLE-QWHCGFSZSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000342531146 534823851 /nfs/dbraw/zinc/82/38/51/534823851.db2.gz BEYXTACXPKQXCO-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH+](CC=C)CCC(=O)OC(C)(C)C ZINC000055058803 534827969 /nfs/dbraw/zinc/82/79/69/534827969.db2.gz GXAMPERFCYLZQA-UHFFFAOYSA-N 1 0 225.332 2.392 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@H](C)[NH3+] ZINC000261529562 534841302 /nfs/dbraw/zinc/84/13/02/534841302.db2.gz BBCHKYJUKHQSFL-JTQLQIEISA-N 1 0 210.346 2.083 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H](c1ccccc1)C1CC1 ZINC000292299608 534842906 /nfs/dbraw/zinc/84/29/06/534842906.db2.gz KHOBMKRFFOXHSL-CQSZACIVSA-N 1 0 243.354 2.271 20 30 BEEDRO C=CC[NH+]1CCC(c2c[nH]nc2C)CC1 ZINC000375356792 534846888 /nfs/dbraw/zinc/84/68/88/534846888.db2.gz RZQSMZKVUKMETH-UHFFFAOYSA-N 1 0 205.305 2.084 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000183350793 534852492 /nfs/dbraw/zinc/85/24/92/534852492.db2.gz WWTVHALTSBWEMS-CYBMUJFWSA-N 1 0 221.275 2.465 20 30 BEEDRO C=CCNC(=O)CCC[NH+](CCC)CCC ZINC000340591890 534855672 /nfs/dbraw/zinc/85/56/72/534855672.db2.gz RIRVCANMTQKBAH-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCOCCC[N@@H+](C[C@H](C)OC)C(C)C ZINC000348053387 534874608 /nfs/dbraw/zinc/87/46/08/534874608.db2.gz UVWXJUCNCBLAME-ZDUSSCGKSA-N 1 0 229.364 2.324 20 30 BEEDRO C=CCOCCC[N@H+](CC1CCC1)[C@@H](C)CO ZINC000361500468 534874955 /nfs/dbraw/zinc/87/49/55/534874955.db2.gz FDPVMJXSXUZEAL-ZDUSSCGKSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@@H+](CCO)[C@H]1CC[C@H](C)C1 ZINC000351651755 534874980 /nfs/dbraw/zinc/87/49/80/534874980.db2.gz RGHRCZXWXZQBLG-KBPBESRZSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cncc(F)c1 ZINC000348045267 534875598 /nfs/dbraw/zinc/87/55/98/534875598.db2.gz HPGMCSJNJDTLEP-NSHDSACASA-N 1 0 238.306 2.464 20 30 BEEDRO C=CCOCCC[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000348172797 534875704 /nfs/dbraw/zinc/87/57/04/534875704.db2.gz ZIWMIOKFDYRPCF-CYBMUJFWSA-N 1 0 247.338 2.042 20 30 BEEDRO C=CCOCC[N@H+]1CC(C)(C)[C@@H]1[C@H]1CCCO1 ZINC000339199682 534877607 /nfs/dbraw/zinc/87/76/07/534877607.db2.gz CGAKSZNADHOTRO-OLZOCXBDSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCOc1ccc(CN2CC[NH2+]C[C@@H]2C)cc1 ZINC000347003758 534883073 /nfs/dbraw/zinc/88/30/73/534883073.db2.gz MCSOPJGJGXTGQP-ZDUSSCGKSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000116927222 534886927 /nfs/dbraw/zinc/88/69/27/534886927.db2.gz ISMMOHZSQFXMQE-SECBINFHSA-N 1 0 235.283 2.175 20 30 BEEDRO CC(C)(C)c1ncc(C[NH2+]CCCC#N)cn1 ZINC000284282583 534915147 /nfs/dbraw/zinc/91/51/47/534915147.db2.gz HQRDENRKTAXMKY-UHFFFAOYSA-N 1 0 232.331 2.167 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1COC(=O)NCCC ZINC000495837149 526456509 /nfs/dbraw/zinc/45/65/09/526456509.db2.gz NJIYIWFWIWPLLI-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C=C(C)CNC(=O)c1ccccc1C[NH+](C)C ZINC000487439088 526623584 /nfs/dbraw/zinc/62/35/84/526623584.db2.gz MZELNTYDWWPDKQ-UHFFFAOYSA-N 1 0 232.327 2.054 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404088895 526654762 /nfs/dbraw/zinc/65/47/62/526654762.db2.gz SKSUDFXVQBKGES-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO C[NH2+]C[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000040602315 536465772 /nfs/dbraw/zinc/46/57/72/536465772.db2.gz UAJYDRCJKOETAX-GFCCVEGCSA-N 1 0 247.317 2.133 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OCC)C1 ZINC000495540641 526678129 /nfs/dbraw/zinc/67/81/29/526678129.db2.gz KISHMKPJHUVZPR-NEPJUHHUSA-N 1 0 240.347 2.019 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000496282118 526852418 /nfs/dbraw/zinc/85/24/18/526852418.db2.gz HTXAUEQPKBREHI-LBPRGKRZSA-N 1 0 240.347 2.115 20 30 BEEDRO C=C(CC)C[N@@H+]1CCN(C)[C@H](C(C)C)C1 ZINC000488032874 526853148 /nfs/dbraw/zinc/85/31/48/526853148.db2.gz OYIQUQBUWRDCBO-ZDUSSCGKSA-N 1 0 210.365 2.225 20 30 BEEDRO C#CC[N@@H+](CCO[C@H](C)C#N)C1CCCCC1 ZINC000491154589 526901215 /nfs/dbraw/zinc/90/12/15/526901215.db2.gz KJTJJAVBYLGFAL-CYBMUJFWSA-N 1 0 234.343 2.183 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccnc(Cl)c1)C1CC1 ZINC000308872763 527059639 /nfs/dbraw/zinc/05/96/39/527059639.db2.gz LHDAGVTWBKVYPB-GFCCVEGCSA-N 1 0 220.703 2.409 20 30 BEEDRO C=CCCCCCN(C)C(=O)/C=C\C[NH+](C)C ZINC000491880929 527116491 /nfs/dbraw/zinc/11/64/91/527116491.db2.gz GLLJSLXGADLDPW-KHPPLWFESA-N 1 0 238.375 2.309 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(OC)CC1)C(C)C ZINC000300882732 527290725 /nfs/dbraw/zinc/29/07/25/527290725.db2.gz JBVMBADMYSWJMQ-WXRRBKDZSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000308491274 527292059 /nfs/dbraw/zinc/29/20/59/527292059.db2.gz BPYWDKQSTBYFMX-GHMZBOCLSA-N 1 0 211.374 2.377 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)CCCCCC(=O)OCC ZINC000491701704 527332211 /nfs/dbraw/zinc/33/22/11/527332211.db2.gz HKVUSUIQAPXBFP-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC)C1 ZINC000495515975 527327056 /nfs/dbraw/zinc/32/70/56/527327056.db2.gz PIBILTNLVRRTRX-VXGBXAGGSA-N 1 0 240.347 2.019 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCO2 ZINC000491814322 527333083 /nfs/dbraw/zinc/33/30/83/527333083.db2.gz JPTAJQBMSXUTDU-NSHDSACASA-N 1 0 215.296 2.075 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])NCCCCCC ZINC000491451297 527344877 /nfs/dbraw/zinc/34/48/77/527344877.db2.gz FGNQINXSLCYJPL-LLVKDONJSA-N 1 0 209.337 2.092 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000300399963 527363540 /nfs/dbraw/zinc/36/35/40/527363540.db2.gz ZKLFKOSWFNFKCS-AGIUHOORSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]([NH2+]C1CCN(C2CC2)CC1)C(C)(C)C ZINC000491640587 527409359 /nfs/dbraw/zinc/40/93/59/527409359.db2.gz YZEHTAZECBSTBG-AWEZNQCLSA-N 1 0 234.387 2.251 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)C(C)(C)C ZINC000309097273 527414300 /nfs/dbraw/zinc/41/43/00/527414300.db2.gz DIKNCBQSNFDPIP-SRVKXCTJSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)OCC)C1 ZINC000495382672 527425500 /nfs/dbraw/zinc/42/55/00/527425500.db2.gz SEWBDWNZUVUOFL-NEPJUHHUSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN1CCO[C@@H](CC)C1 ZINC000494457501 527464855 /nfs/dbraw/zinc/46/48/55/527464855.db2.gz ZECLKIFLZHYGEB-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CC[N@@H+](C)CCc1nc2ccccc2n1C ZINC000494692934 527573700 /nfs/dbraw/zinc/57/37/00/527573700.db2.gz WGJKWTJNRLKTIK-UHFFFAOYSA-N 1 0 229.327 2.234 20 30 BEEDRO CCC1(C[NH2+]Cc2ccc(C#N)c(F)c2)COC1 ZINC000404099752 527746734 /nfs/dbraw/zinc/74/67/34/527746734.db2.gz ZANZLSDZEKWDEG-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO CCOCCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404132259 528691687 /nfs/dbraw/zinc/69/16/87/528691687.db2.gz UXCXXNRBYHQVGO-UHFFFAOYSA-N 1 0 236.290 2.214 20 30 BEEDRO CC(C)CC[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000361309508 534946496 /nfs/dbraw/zinc/94/64/96/534946496.db2.gz IOAIAXZMBCKARJ-ZDUSSCGKSA-N 1 0 238.375 2.409 20 30 BEEDRO CCCCCNC(=[NH2+])NCc1ccccc1OC ZINC000170904958 534958350 /nfs/dbraw/zinc/95/83/50/534958350.db2.gz PJYSDMKEOMRBBF-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO CC(C)(C#N)CCC[N@H+](CCO)C1CCC1 ZINC000221141001 534980866 /nfs/dbraw/zinc/98/08/66/534980866.db2.gz MNLOAMQPRVGLLR-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000347247501 534990086 /nfs/dbraw/zinc/99/00/86/534990086.db2.gz KSDSFWMSAZCOGS-GXTWGEPZSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C[C@@H]1CCCO1 ZINC000078052204 535005406 /nfs/dbraw/zinc/00/54/06/535005406.db2.gz DGVIIWYDRALOAF-NSHDSACASA-N 1 0 210.321 2.085 20 30 BEEDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000306644789 535011653 /nfs/dbraw/zinc/01/16/53/535011653.db2.gz NPNUULJGROUHCQ-GUBZILKMSA-N 1 0 210.346 2.162 20 30 BEEDRO CC1(C)[C@@H]2C[N@H+]([C@@H]3CC[C@H](C#N)C3)C[C@@H]21 ZINC000339005711 535043665 /nfs/dbraw/zinc/04/36/65/535043665.db2.gz WAQLFPTYZUBTKF-WHOHXGKFSA-N 1 0 204.317 2.266 20 30 BEEDRO CC(C)[C@H](Cn1cccn1)[NH2+]CC1(CC#N)CC1 ZINC000340534762 535044191 /nfs/dbraw/zinc/04/41/91/535044191.db2.gz QZYJSPCKPXHIMH-ZDUSSCGKSA-N 1 0 246.358 2.191 20 30 BEEDRO CC(C)Oc1ccccc1CNC(=[NH2+])NC1CC1 ZINC000195523019 535061095 /nfs/dbraw/zinc/06/10/95/535061095.db2.gz UKBFQEHNZRTTAZ-UHFFFAOYSA-N 1 0 247.342 2.041 20 30 BEEDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000338964087 535074749 /nfs/dbraw/zinc/07/47/49/535074749.db2.gz TXLVIVXYLZMHFX-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)C[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000048936243 535105972 /nfs/dbraw/zinc/10/59/72/535105972.db2.gz BYMUWOWBRFCRKR-UHFFFAOYSA-N 1 0 243.354 2.336 20 30 BEEDRO CC(C)(CO)CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185841921 535164972 /nfs/dbraw/zinc/16/49/72/535164972.db2.gz ROKQKVPQAZWSSR-CHWSQXEVSA-N 1 0 238.375 2.457 20 30 BEEDRO CC(C)[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000036886750 535202619 /nfs/dbraw/zinc/20/26/19/535202619.db2.gz WRCWEXJKMJEFHR-UHFFFAOYSA-N 1 0 247.317 2.228 20 30 BEEDRO CCC(N)=[NH+]OC[C@H](OC)c1ccccc1 ZINC000283464897 535226522 /nfs/dbraw/zinc/22/65/22/535226522.db2.gz RYKJJKCHVOTMFF-NSHDSACASA-N 1 0 222.288 2.073 20 30 BEEDRO CCC(N)=[NH+]OCc1ccn(C(CC)CC)n1 ZINC000269374342 535227889 /nfs/dbraw/zinc/22/78/89/535227889.db2.gz ZOEVBSRWWSOSGQ-UHFFFAOYSA-N 1 0 238.335 2.443 20 30 BEEDRO CC[NH+]=C(NCC1CC1)N1CC[C@@](C)(CC)C1 ZINC000261807215 535260359 /nfs/dbraw/zinc/26/03/59/535260359.db2.gz SBMHGQUDVOGKRB-CQSZACIVSA-N 1 0 237.391 2.484 20 30 BEEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@H]1c1cccc(F)c1 ZINC000170911085 535261750 /nfs/dbraw/zinc/26/17/50/535261750.db2.gz MZLCLAHUMIEGMD-QWHCGFSZSA-N 1 0 249.333 2.386 20 30 BEEDRO CC(C)[C@H]1C[C@H]([NH2+]CCCCC#N)CCO1 ZINC000309313123 535263756 /nfs/dbraw/zinc/26/37/56/535263756.db2.gz CJKRIOZMSJCLFS-CHWSQXEVSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000263092460 535276681 /nfs/dbraw/zinc/27/66/81/535276681.db2.gz IZSJEBDRQWLOCR-QWRGUYRKSA-N 1 0 232.331 2.100 20 30 BEEDRO CC(C)[C@]1(CO)CCC[N@H+](CCCC#N)C1 ZINC000339699236 535309763 /nfs/dbraw/zinc/30/97/63/535309763.db2.gz DKWUQFPQXALLQT-CYBMUJFWSA-N 1 0 224.348 2.021 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000352893874 535310935 /nfs/dbraw/zinc/31/09/35/535310935.db2.gz QHBUVYHGZJSSMB-OAHLLOKOSA-N 1 0 246.354 2.249 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCc1cccc(C#N)c1 ZINC000264132065 535384979 /nfs/dbraw/zinc/38/49/79/535384979.db2.gz YHMLUCAHEZWRFI-UHFFFAOYSA-N 1 0 244.342 2.009 20 30 BEEDRO CCN(CC)C(=[NH2+])NCCc1ccccc1C ZINC000264094969 535389747 /nfs/dbraw/zinc/38/97/47/535389747.db2.gz LUOCXQODPGEFOE-UHFFFAOYSA-N 1 0 233.359 2.194 20 30 BEEDRO CCOCCC[NH+]1CCC(C)(C#N)CC1 ZINC000227350983 535516578 /nfs/dbraw/zinc/51/65/78/535516578.db2.gz HACFZOQKHNEKNK-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000055079957 535566280 /nfs/dbraw/zinc/56/62/80/535566280.db2.gz FDYVXCUEHWWKFH-CYBMUJFWSA-N 1 0 243.354 2.479 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1C#N ZINC000354649190 535681931 /nfs/dbraw/zinc/68/19/31/535681931.db2.gz NKXACEBPYWJXOD-FQUUOJAGSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)c1cccc(C#N)c1 ZINC000352209678 535765581 /nfs/dbraw/zinc/76/55/81/535765581.db2.gz CLMQSJIZDGVLEF-NEPJUHHUSA-N 1 0 232.327 2.322 20 30 BEEDRO CC[N@H+](C[C@@H]1CCCO1)[C@H]1CC[C@H](C#N)C1 ZINC000338943283 535770129 /nfs/dbraw/zinc/77/01/29/535770129.db2.gz KIOLKRQFTLYNMX-AVGNSLFASA-N 1 0 222.332 2.180 20 30 BEEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CCO[C@H](C)C1 ZINC000352693523 535775134 /nfs/dbraw/zinc/77/51/34/535775134.db2.gz SASDFPLNGDQZKI-UPJWGTAASA-N 1 0 224.348 2.283 20 30 BEEDRO CCNC(NCCc1ccc(C)cc1)=[NH+]CC ZINC000267466666 535786610 /nfs/dbraw/zinc/78/66/10/535786610.db2.gz WNBAWWOQWZJSJM-UHFFFAOYSA-N 1 0 233.359 2.113 20 30 BEEDRO CC[C@H]([NH2+]CCC(C)(C)C#N)[C@H]1CCCO1 ZINC000310039366 535899256 /nfs/dbraw/zinc/89/92/56/535899256.db2.gz WYROPMIKKUOWMR-NWDGAFQWSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C#N)c(C)c2)C1 ZINC000335334809 535962003 /nfs/dbraw/zinc/96/20/03/535962003.db2.gz DHVAFVNOOJLOST-HNNXBMFYSA-N 1 0 244.338 2.214 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1ccccc1O ZINC000054182035 536057909 /nfs/dbraw/zinc/05/79/09/536057909.db2.gz YWFRMRQEXILMIY-LLVKDONJSA-N 1 0 204.273 2.174 20 30 BEEDRO CC[C@H](C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342724261 536171284 /nfs/dbraw/zinc/17/12/84/536171284.db2.gz GHXGANNDJSGDOC-JTQLQIEISA-N 1 0 228.299 2.094 20 30 BEEDRO CNC(=[NH2+])N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000262764014 536305813 /nfs/dbraw/zinc/30/58/13/536305813.db2.gz GDGHQKMXGFITJV-HOMQSWHASA-N 1 0 237.734 2.120 20 30 BEEDRO CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000262814453 536305014 /nfs/dbraw/zinc/30/50/14/536305014.db2.gz OPNKTKRQLLMMOT-UONOGXRCSA-N 1 0 239.322 2.230 20 30 BEEDRO COc1ccc(NC(=[NH2+])N[C@@H]2C[C@H]2C2CC2)cc1 ZINC000262380855 536655920 /nfs/dbraw/zinc/65/59/20/536655920.db2.gz GXGPUHLTJZRLEO-QWHCGFSZSA-N 1 0 245.326 2.220 20 30 BEEDRO CO[C@@H]1CC[N@H+](CC(C)(C)CCC#N)C1 ZINC000353883260 536684532 /nfs/dbraw/zinc/68/45/32/536684532.db2.gz TUQFGDNVAHMMRU-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO COC1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCC1 ZINC000336759410 536684884 /nfs/dbraw/zinc/68/48/84/536684884.db2.gz IXHMKSZMRFFBNA-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO COCC1(C#N)CC[NH+](CC2CCCC2)CC1 ZINC000341979329 536801242 /nfs/dbraw/zinc/80/12/42/536801242.db2.gz OARIYSWZOZPWGW-UHFFFAOYSA-N 1 0 236.359 2.429 20 30 BEEDRO CO[C@@](C)(CNC(=[NH2+])Nc1ccccc1)C1CC1 ZINC000290966602 536820847 /nfs/dbraw/zinc/82/08/47/536820847.db2.gz OFMDZFPSGXNCDI-AWEZNQCLSA-N 1 0 247.342 2.228 20 30 BEEDRO COCC[N@H+](CCCC#N)[C@H]1CC[C@H](C)C1 ZINC000362165044 536834129 /nfs/dbraw/zinc/83/41/29/536834129.db2.gz UCXZBPRTEUFYOJ-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO COC[C@H]([NH2+]CCCC#N)c1ccc(F)cc1 ZINC000342310969 536876305 /nfs/dbraw/zinc/87/63/05/536876305.db2.gz HSFBKIUFISTSDE-ZDUSSCGKSA-N 1 0 236.290 2.407 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H](OC)C2)C1 ZINC001172937584 974989170 /nfs/dbraw/zinc/98/91/70/974989170.db2.gz AWFVNBSMWRGOOK-MCIONIFRSA-N 1 0 221.344 2.289 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CSCCC ZINC000893566308 583164997 /nfs/dbraw/zinc/16/49/97/583164997.db2.gz AKAAYRQPNZDOSP-WDEREUQCSA-N 1 0 217.378 2.045 20 30 BEEDRO C#Cc1cccnc1N1CCC([NH2+]C(C)C)CC1 ZINC000853258325 588729843 /nfs/dbraw/zinc/72/98/43/588729843.db2.gz YOCDYQQCPOATPR-UHFFFAOYSA-N 1 0 243.354 2.030 20 30 BEEDRO C#Cc1cccnc1NCC[N@H+]1CCCC[C@H]1C ZINC000853162066 588723016 /nfs/dbraw/zinc/72/30/16/588723016.db2.gz MTUIFSTYHVWPQV-CYBMUJFWSA-N 1 0 243.354 2.349 20 30 BEEDRO C=CC[C@H]1CCCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000853330525 588733714 /nfs/dbraw/zinc/73/37/14/588733714.db2.gz OPPNXVHXHKEPKN-QWRGUYRKSA-N 1 0 234.347 2.046 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(Cl)cn1 ZINC000853437310 588742320 /nfs/dbraw/zinc/74/23/20/588742320.db2.gz JUCQAAZMCDCTOO-QMMMGPOBSA-N 1 0 238.722 2.084 20 30 BEEDRO Cc1ccc(N=NC2C[N@@H+](C)C[C@H]2C)cc1F ZINC000853438967 588742559 /nfs/dbraw/zinc/74/25/59/588742559.db2.gz VYTRALRAEQMLHZ-SNVBAGLBSA-N 1 0 235.306 2.484 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CN2CC[C@H](C)C2=O)C1 ZINC000853537134 588748111 /nfs/dbraw/zinc/74/81/11/588748111.db2.gz PRFDOURNSARBRN-QWHCGFSZSA-N 1 0 236.359 2.100 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CN2CC[C@H](C)C2=O)C1 ZINC000853537135 588748199 /nfs/dbraw/zinc/74/81/99/588748199.db2.gz PRFDOURNSARBRN-STQMWFEESA-N 1 0 236.359 2.100 20 30 BEEDRO C=CCCCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855163767 588824786 /nfs/dbraw/zinc/82/47/86/588824786.db2.gz FUZWUCZBJAINHP-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H](C)C(=O)N(C)OC ZINC000858585758 582468762 /nfs/dbraw/zinc/46/87/62/582468762.db2.gz ACIOEYFSIGDGPT-NEPJUHHUSA-N 1 0 242.363 2.119 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000890549014 582470761 /nfs/dbraw/zinc/47/07/61/582470761.db2.gz FJBDPRMGUHORJK-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000890553693 582473927 /nfs/dbraw/zinc/47/39/27/582473927.db2.gz YVSPUCGKKKDWBK-GFCCVEGCSA-N 1 0 241.294 2.125 20 30 BEEDRO C#CCCCCCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000855416684 588832051 /nfs/dbraw/zinc/83/20/51/588832051.db2.gz YTXAMBXOYOKHEE-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C[C@H](C)ON=C1CC[N@@H+](CC)C[C@@H]1C ZINC000844621452 582603704 /nfs/dbraw/zinc/60/37/04/582603704.db2.gz HIQMRRRXXSCVLD-QWRGUYRKSA-N 1 0 210.321 2.295 20 30 BEEDRO C=C[C@@H](C)ON=C1CC[N@@H+](CC)C[C@H]1C ZINC000844621450 582603609 /nfs/dbraw/zinc/60/36/09/582603609.db2.gz HIQMRRRXXSCVLD-GHMZBOCLSA-N 1 0 210.321 2.295 20 30 BEEDRO CCCCCCC[N@@H+]1CCn2nncc2C1 ZINC000847015794 582673535 /nfs/dbraw/zinc/67/35/35/582673535.db2.gz AAXAAMZHIOTYBQ-UHFFFAOYSA-N 1 0 222.336 2.064 20 30 BEEDRO CCN(Cc1cnn(C)c1C1CC1)C[C@@H](C)C#N ZINC000891716344 582713093 /nfs/dbraw/zinc/71/30/93/582713093.db2.gz OSSGJEGPCBGLNX-NSHDSACASA-N 1 0 246.358 2.279 20 30 BEEDRO COC[C@@H]1CC[N@H+](Cc2csc(C#N)c2)C1 ZINC000892022390 582763854 /nfs/dbraw/zinc/76/38/54/582763854.db2.gz XNJCCLPGPJHSFK-SNVBAGLBSA-N 1 0 236.340 2.088 20 30 BEEDRO Cc1cc(C#N)nc(N[C@H](C)CC[NH+](C)C)c1 ZINC000892085848 582788130 /nfs/dbraw/zinc/78/81/30/582788130.db2.gz QRLNYHQCPNUEEW-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000848985884 582817456 /nfs/dbraw/zinc/81/74/56/582817456.db2.gz AUFWQOLTMANWJN-ONGXEEELSA-N 1 0 233.315 2.203 20 30 BEEDRO C[NH+]=C(NCC[C@]1(C)C[C@@]1(F)Cl)NC1CC1 ZINC000849047335 582841060 /nfs/dbraw/zinc/84/10/60/582841060.db2.gz KDGRPZGLGHCXDJ-MNOVXSKESA-N 1 0 247.745 2.019 20 30 BEEDRO C=C[C@@H](C)OC(=O)[C@H](CC)[NH+](CC)CC ZINC000781573678 582859570 /nfs/dbraw/zinc/85/95/70/582859570.db2.gz JBLWRYRBPXJLFI-MNOVXSKESA-N 1 0 213.321 2.225 20 30 BEEDRO CCCC[N@H+](C)CCNc1cc(C)cc(C#N)n1 ZINC000892492375 582898275 /nfs/dbraw/zinc/89/82/75/582898275.db2.gz OQACLECBURCOBA-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C#CCCNc1cc[nH+]c(C)c1Br ZINC000892526772 582906332 /nfs/dbraw/zinc/90/63/32/582906332.db2.gz WLXGIIIGIHPXFW-UHFFFAOYSA-N 1 0 239.116 2.010 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CO[C@H](CC)C2)c1 ZINC000850321849 582911430 /nfs/dbraw/zinc/91/14/30/582911430.db2.gz NSJASQKTSXSMMK-HUUCEWRRSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCN(C)C(=O)OC ZINC000850547285 582928557 /nfs/dbraw/zinc/92/85/57/582928557.db2.gz RQYXXFPJGNMERP-LBPRGKRZSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)Cc1ccccc1OC ZINC000394125151 582956161 /nfs/dbraw/zinc/95/61/61/582956161.db2.gz TZYWMTMLCLSXAT-CYBMUJFWSA-N 1 0 249.354 2.418 20 30 BEEDRO C=C(C)CCOC(=O)C12CCC[NH+](CCC1)C2 ZINC000892754385 582975844 /nfs/dbraw/zinc/97/58/44/582975844.db2.gz AUHAAVOKULICCP-UHFFFAOYSA-N 1 0 237.343 2.372 20 30 BEEDRO N#CCCCC[NH2+]Cc1nnc(C2CC2)s1 ZINC000892930661 583011476 /nfs/dbraw/zinc/01/14/76/583011476.db2.gz YMVJMJGQWJXZGT-UHFFFAOYSA-N 1 0 236.344 2.199 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn2ccnc2s1 ZINC000892951310 583017402 /nfs/dbraw/zinc/01/74/02/583017402.db2.gz RZXGNHXASKNQTI-SECBINFHSA-N 1 0 221.329 2.450 20 30 BEEDRO C=CC[C@@H]([NH2+][C@@H](C)COC(C)=O)c1ccncc1 ZINC000892973051 583023761 /nfs/dbraw/zinc/02/37/61/583023761.db2.gz MSISROADSHPUQA-SMDDNHRTSA-N 1 0 248.326 2.240 20 30 BEEDRO C=CC[C@H]([NH2+][C@H](C)COC(C)=O)c1ccncc1 ZINC000892973049 583023806 /nfs/dbraw/zinc/02/38/06/583023806.db2.gz MSISROADSHPUQA-RISCZKNCSA-N 1 0 248.326 2.240 20 30 BEEDRO C#CCSCC[NH2+]Cc1c(C)noc1CC ZINC000892993165 583026282 /nfs/dbraw/zinc/02/62/82/583026282.db2.gz OVJZFBIMHNDCEU-UHFFFAOYSA-N 1 0 238.356 2.001 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCc1ccco1)[C@H]1CCCO1 ZINC000775572037 583094101 /nfs/dbraw/zinc/09/41/01/583094101.db2.gz NZTYUTUAEBYEGQ-AEGPPILISA-N 1 0 247.338 2.371 20 30 BEEDRO C=CCOCC[NH2+]CCc1ccc(F)c(F)c1 ZINC000893474633 583150544 /nfs/dbraw/zinc/15/05/44/583150544.db2.gz DZVDENYFGQJSFS-UHFFFAOYSA-N 1 0 241.281 2.300 20 30 BEEDRO C[C@]1(Br)C[C@H]1C[NH2+]CCCC#N ZINC000893514175 583155684 /nfs/dbraw/zinc/15/56/84/583155684.db2.gz JLRRXLILKDVYHC-IUCAKERBSA-N 1 0 231.137 2.053 20 30 BEEDRO C[C@@H](C#N)CNCc1cc(O)cc(Cl)c1 ZINC000893545712 583161515 /nfs/dbraw/zinc/16/15/15/583161515.db2.gz XAQZXOOSNNQBOM-QMMMGPOBSA-N 1 0 224.691 2.295 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000893550466 583162653 /nfs/dbraw/zinc/16/26/53/583162653.db2.gz CYEPCKNXPZEDBN-WCBMZHEXSA-N 1 0 245.164 2.299 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(C)c1C1CC1)C1CC1 ZINC000893558710 583164035 /nfs/dbraw/zinc/16/40/35/583164035.db2.gz CVBYPQDNVSSPHL-UHFFFAOYSA-N 1 0 231.343 2.448 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CSCCC)[C@H]1CCCO1 ZINC000893677958 583196226 /nfs/dbraw/zinc/19/62/26/583196226.db2.gz YNFALJNJEYZGPK-FRRDWIJNSA-N 1 0 241.400 2.289 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)cc1 ZINC000840978429 583214176 /nfs/dbraw/zinc/21/41/76/583214176.db2.gz NUVBIGFDVQMOIN-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO CCCCCCCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000114875438 588887515 /nfs/dbraw/zinc/88/75/15/588887515.db2.gz IOKQJHZFGLZTSL-LBPRGKRZSA-N 1 0 249.420 2.370 20 30 BEEDRO CC(C)c1c[nH]c(CN2CCC(C#N)CC2)n1 ZINC000893983649 583268918 /nfs/dbraw/zinc/26/89/18/583268918.db2.gz DTGRHXZWDKNCJO-UHFFFAOYSA-N 1 0 232.331 2.269 20 30 BEEDRO C=CC1CC[NH+](Cc2ocnc2C)CC1 ZINC000894020850 583274729 /nfs/dbraw/zinc/27/47/29/583274729.db2.gz ROGDUWAHOZOARZ-UHFFFAOYSA-N 1 0 206.289 2.381 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1C[C@]1(C)Br ZINC000894060770 583292342 /nfs/dbraw/zinc/29/23/42/583292342.db2.gz YAGFKXVDHBZDHS-GUBZILKMSA-N 1 0 230.149 2.113 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000877512879 583319975 /nfs/dbraw/zinc/31/99/75/583319975.db2.gz FEBPSSFQRMFEKW-RFGFWPKPSA-N 1 0 233.355 2.336 20 30 BEEDRO C#C[C@@H](CC)[NH2+]C[C@H](Cc1ccccc1)OC ZINC000877513037 583320164 /nfs/dbraw/zinc/32/01/64/583320164.db2.gz JWQSOOWMTPWPGD-GJZGRUSLSA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](OC)C1CCCC1)C(C)C ZINC000877513331 583321055 /nfs/dbraw/zinc/32/10/55/583321055.db2.gz RNGVYBSVGLVCKY-ZIAGYGMSSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](OC)C1CCCC1)C(C)C ZINC000877513330 583321336 /nfs/dbraw/zinc/32/13/36/583321336.db2.gz RNGVYBSVGLVCKY-UONOGXRCSA-N 1 0 223.360 2.439 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c(O)c1 ZINC000877597727 583338978 /nfs/dbraw/zinc/33/89/78/583338978.db2.gz WOMAGOIDSYZOQQ-WCQYABFASA-N 1 0 230.311 2.483 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CC1(F)F)C1CCOCC1 ZINC000877636676 583340967 /nfs/dbraw/zinc/34/09/67/583340967.db2.gz APWOPTJHYGZICX-JLLWLGSASA-N 1 0 243.297 2.048 20 30 BEEDRO C[C@@H]1CC(=NOCCC2CC2)C[N@@H+]1C1CC1 ZINC000814246756 583352309 /nfs/dbraw/zinc/35/23/09/583352309.db2.gz DAWCHTJBSIHCOC-SNVBAGLBSA-N 1 0 222.332 2.416 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000878097132 583361232 /nfs/dbraw/zinc/36/12/32/583361232.db2.gz UKZSIIOJCRGQEX-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CC[C@@H]1CC1(Cl)Cl ZINC000857246767 588901431 /nfs/dbraw/zinc/90/14/31/588901431.db2.gz HLUDUCRBXMRUMN-JGVFFNPUSA-N 1 0 221.131 2.462 20 30 BEEDRO Cc1noc(C)c1C[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000788012611 583389230 /nfs/dbraw/zinc/38/92/30/583389230.db2.gz WDGWDINPIVMHSH-RYUDHWBXSA-N 1 0 233.315 2.416 20 30 BEEDRO C#CCCC[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894313782 583420200 /nfs/dbraw/zinc/42/02/00/583420200.db2.gz WQSGWNQXQNVKPN-UHFFFAOYSA-N 1 0 229.283 2.034 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894333461 583425978 /nfs/dbraw/zinc/42/59/78/583425978.db2.gz XKMLBTFNZIOPEA-JTQLQIEISA-N 1 0 221.300 2.373 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OC)c(CC)[nH]1 ZINC000894331961 583426089 /nfs/dbraw/zinc/42/60/89/583426089.db2.gz KYINUMFRILEBNW-VIFPVBQESA-N 1 0 236.315 2.028 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@H]1COc2ccccc2C1 ZINC000894383411 583442837 /nfs/dbraw/zinc/44/28/37/583442837.db2.gz JQSXIFKGJANVJE-SGMGOOAPSA-N 1 0 229.323 2.238 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000894383078 583442939 /nfs/dbraw/zinc/44/29/39/583442939.db2.gz IOBYQFPRIVAYGI-SRVKXCTJSA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C)nn(C(C)C)c1C ZINC000894383454 583442959 /nfs/dbraw/zinc/44/29/59/583442959.db2.gz LLAWZOJCRWALCE-SNVBAGLBSA-N 1 0 219.332 2.192 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000894386526 583443391 /nfs/dbraw/zinc/44/33/91/583443391.db2.gz AITXNXJZMYPMEF-GFCCVEGCSA-N 1 0 217.316 2.110 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccnn1C1CCC1 ZINC000894386955 583443724 /nfs/dbraw/zinc/44/37/24/583443724.db2.gz GHYACXOKYMBVNT-NSHDSACASA-N 1 0 217.316 2.110 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)C(C)C ZINC000894387192 583444274 /nfs/dbraw/zinc/44/42/74/583444274.db2.gz KSVFJJPKVFOSIC-NELGMTEASA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)C(C)C ZINC000894387794 583444304 /nfs/dbraw/zinc/44/43/04/583444304.db2.gz VXEOBLZYOIICJV-GARJFASQSA-N 1 0 244.176 2.407 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)C(C)C ZINC000894387796 583444355 /nfs/dbraw/zinc/44/43/55/583444355.db2.gz VXEOBLZYOIICJV-VWYCJHECSA-N 1 0 244.176 2.407 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1nccc2c1CCCC2 ZINC000894386632 583444703 /nfs/dbraw/zinc/44/47/03/583444703.db2.gz BWWLQXOWMWWDSE-ZDUSSCGKSA-N 1 0 228.339 2.462 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OCC)o1)C(C)C ZINC000894387837 583444784 /nfs/dbraw/zinc/44/47/84/583444784.db2.gz WOAIYSWUMYMNQI-LBPRGKRZSA-N 1 0 221.300 2.426 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CCO)c1ccc(Cl)cc1 ZINC000894552535 583483670 /nfs/dbraw/zinc/48/36/70/583483670.db2.gz IRDPQJJAJZGYKX-GWCFXTLKSA-N 1 0 237.730 2.375 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)nc1 ZINC000894692154 583507762 /nfs/dbraw/zinc/50/77/62/583507762.db2.gz OVVRFRKUKYXGRD-RYUDHWBXSA-N 1 0 245.326 2.262 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn2ccnc2s1 ZINC000894711897 583510445 /nfs/dbraw/zinc/51/04/45/583510445.db2.gz NOSHORMBIRAUBQ-UHFFFAOYSA-N 1 0 221.329 2.452 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cn(CC)nc1C ZINC000894711781 583510760 /nfs/dbraw/zinc/51/07/60/583510760.db2.gz LSJULYIRXKEQQF-UHFFFAOYSA-N 1 0 207.321 2.267 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(OCCOC)o1 ZINC000894775083 583517811 /nfs/dbraw/zinc/51/78/11/583517811.db2.gz DOMUDKREJNUDCH-UHFFFAOYSA-N 1 0 239.315 2.361 20 30 BEEDRO CCCCCCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000115548852 588908677 /nfs/dbraw/zinc/90/86/77/588908677.db2.gz GHDDCHICRZLWGR-KBPBESRZSA-N 1 0 224.392 2.498 20 30 BEEDRO C#CCN(C)CCC[NH2+]CCc1ccc(C)cc1 ZINC000894863636 583536329 /nfs/dbraw/zinc/53/63/29/583536329.db2.gz OZQQJYINSNIQPW-UHFFFAOYSA-N 1 0 244.382 2.082 20 30 BEEDRO CC1([NH+]2CCC2)CCN([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000880473238 583542226 /nfs/dbraw/zinc/54/22/26/583542226.db2.gz ACWNSESRGAXQQL-UONOGXRCSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@@H](CC#N)C1)c1cnccn1 ZINC000894880115 583543525 /nfs/dbraw/zinc/54/35/25/583543525.db2.gz IOTVPNPCXJEZHQ-SRVKXCTJSA-N 1 0 230.315 2.210 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1c(C)ccnc1N ZINC000894898775 583550876 /nfs/dbraw/zinc/55/08/76/583550876.db2.gz KWQGWEZTAKTUKM-UHFFFAOYSA-N 1 0 219.332 2.274 20 30 BEEDRO C=C(CC)C[NH2+]Cc1c(C)ccnc1N ZINC000894942497 583557685 /nfs/dbraw/zinc/55/76/85/583557685.db2.gz RASMRPIKHXOCHQ-UHFFFAOYSA-N 1 0 205.305 2.028 20 30 BEEDRO Cn1ncc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1C1CC1 ZINC000895010854 583567329 /nfs/dbraw/zinc/56/73/29/583567329.db2.gz WNJCLACVDJLHLN-GXFFZTMASA-N 1 0 244.342 2.079 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2cc(C#N)ccc2F)CCO1 ZINC000223174980 583576972 /nfs/dbraw/zinc/57/69/72/583576972.db2.gz UNXCKYXCOOMIMX-GXFFZTMASA-N 1 0 248.301 2.354 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ocnc2C)C1 ZINC000895078769 583581811 /nfs/dbraw/zinc/58/18/11/583581811.db2.gz QUPXAFOOTBNPSY-LBPRGKRZSA-N 1 0 218.300 2.218 20 30 BEEDRO CC(=NOCc1cccnc1)C1CC[NH+](C)CC1 ZINC000814883777 583583052 /nfs/dbraw/zinc/58/30/52/583583052.db2.gz ABHZQGGJSYARBJ-UHFFFAOYSA-N 1 0 247.342 2.316 20 30 BEEDRO COCC1(CC[NH2+]CC#Cc2ccccc2)CC1 ZINC000895091996 583587223 /nfs/dbraw/zinc/58/72/23/583587223.db2.gz UATMULJZGLHTIY-UHFFFAOYSA-N 1 0 243.350 2.444 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000895097904 583588424 /nfs/dbraw/zinc/58/84/24/583588424.db2.gz WCWWNKRUAZVWBT-HOCLYGCPSA-N 1 0 245.366 2.229 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000895100969 583588794 /nfs/dbraw/zinc/58/87/94/583588794.db2.gz GISXZJCHAGJBFF-CQSZACIVSA-N 1 0 245.370 2.447 20 30 BEEDRO CC[C@H](C)C[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000895112614 583591909 /nfs/dbraw/zinc/59/19/09/583591909.db2.gz RLWLKSVLNUMMPI-HOCLYGCPSA-N 1 0 245.366 2.425 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CC)C(=O)OC ZINC000895122132 583595844 /nfs/dbraw/zinc/59/58/44/583595844.db2.gz LWTRCYGQHQUYMD-SRVKXCTJSA-N 1 0 227.348 2.376 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000895131558 583600906 /nfs/dbraw/zinc/60/09/06/583600906.db2.gz JFFDNXZNWXWGII-GJZGRUSLSA-N 1 0 243.350 2.080 20 30 BEEDRO CC[C@@H](C[NH2+][C@H](C)CC(C)(C)C#N)C(=O)OC ZINC000895134784 583601969 /nfs/dbraw/zinc/60/19/69/583601969.db2.gz ABLWIXZQKIDQFY-MNOVXSKESA-N 1 0 240.347 2.104 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158849 583608319 /nfs/dbraw/zinc/60/83/19/583608319.db2.gz PKDQVWFMESNBSR-NWDGAFQWSA-N 1 0 240.347 2.091 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857869765 588916643 /nfs/dbraw/zinc/91/66/43/588916643.db2.gz RIDUBOIHRCUAHP-LLVKDONJSA-N 1 0 205.305 2.343 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857869450 588916889 /nfs/dbraw/zinc/91/68/89/588916889.db2.gz OLQJSMQHFKHTFK-UPJWGTAASA-N 1 0 247.342 2.110 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000895201416 583624718 /nfs/dbraw/zinc/62/47/18/583624718.db2.gz DCAADHKQIWQDHU-CYBMUJFWSA-N 1 0 231.343 2.057 20 30 BEEDRO C=C1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000335750174 583630769 /nfs/dbraw/zinc/63/07/69/583630769.db2.gz PRHUZJRPBFVMBD-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H]1CC(C)=NO1 ZINC000895304967 583643421 /nfs/dbraw/zinc/64/34/21/583643421.db2.gz NNSCPERAESGDTA-ZDUSSCGKSA-N 1 0 222.332 2.325 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H]1CC(C)=NO1 ZINC000895306273 583643556 /nfs/dbraw/zinc/64/35/56/583643556.db2.gz BVSPRFNNDHWXES-NWDGAFQWSA-N 1 0 210.321 2.486 20 30 BEEDRO C[C@@H]1CC(N=Nc2cccc(F)n2)CC[N@@H+]1C ZINC000795007361 583648236 /nfs/dbraw/zinc/64/82/36/583648236.db2.gz WZJFFKHMSAQEMS-SECBINFHSA-N 1 0 236.294 2.103 20 30 BEEDRO CCn1cc(C[N@@H+]2CCC[C@H](CC#N)C2)c(C)n1 ZINC000895313509 583648687 /nfs/dbraw/zinc/64/86/87/583648687.db2.gz IHHURNKFWQEZQK-CYBMUJFWSA-N 1 0 246.358 2.337 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000895322546 583649998 /nfs/dbraw/zinc/64/99/98/583649998.db2.gz VBVRLXALBNISTN-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]Cc1[nH]cc(C(=O)OC)c1C1CC1 ZINC000895329345 583651827 /nfs/dbraw/zinc/65/18/27/583651827.db2.gz FGHOAJZDWAIHEP-UHFFFAOYSA-N 1 0 248.326 2.344 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cc(C)co1 ZINC000895349190 583656241 /nfs/dbraw/zinc/65/62/41/583656241.db2.gz BQEYVEYLKSZDID-UHFFFAOYSA-N 1 0 221.300 2.060 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2Cc3ccncc3C2)C1 ZINC000857879494 588919302 /nfs/dbraw/zinc/91/93/02/588919302.db2.gz GFCZFTXEQKESKC-MFKMUULPSA-N 1 0 213.284 2.089 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnc(F)cc1C ZINC000895379774 583662064 /nfs/dbraw/zinc/66/20/64/583662064.db2.gz WNYMBQHINQJURT-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C#CC1(O)CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000895384066 583662902 /nfs/dbraw/zinc/66/29/02/583662902.db2.gz HYHHDYVEDMTGEI-LBPRGKRZSA-N 1 0 249.379 2.139 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCc2cccnc21 ZINC000895416441 583667630 /nfs/dbraw/zinc/66/76/30/583667630.db2.gz WGDBWBFMNDZILN-KGLIPLIRSA-N 1 0 244.338 2.087 20 30 BEEDRO CC1=NO[C@H](C[NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000895428550 583668553 /nfs/dbraw/zinc/66/85/53/583668553.db2.gz ILVJHTYMEFPHBC-QWRGUYRKSA-N 1 0 223.320 2.069 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)CCCCC=C ZINC000895491159 583680842 /nfs/dbraw/zinc/68/08/42/583680842.db2.gz YMVBYJGDMITAKF-STQMWFEESA-N 1 0 209.333 2.095 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883007958 583685549 /nfs/dbraw/zinc/68/55/49/583685549.db2.gz MVEXZSXRJUOEBS-VIFPVBQESA-N 1 0 233.267 2.440 20 30 BEEDRO C#CCOc1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000895573814 583692783 /nfs/dbraw/zinc/69/27/83/583692783.db2.gz NAPRWXQMKUYJDU-ZDUSSCGKSA-N 1 0 247.313 2.490 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000895595622 583695265 /nfs/dbraw/zinc/69/52/65/583695265.db2.gz ONSLVEJQMIMNRS-CABCVRRESA-N 1 0 229.323 2.195 20 30 BEEDRO C#CC1([NH2+]Cc2ccc(C(=O)OC)o2)CCCC1 ZINC000895675448 583704327 /nfs/dbraw/zinc/70/43/27/583704327.db2.gz PSKFEUZVFSNCFS-UHFFFAOYSA-N 1 0 247.294 2.102 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2cc(C)oc2C)CC1 ZINC000895669416 583706273 /nfs/dbraw/zinc/70/62/73/583706273.db2.gz CKLUJOXZUGRFTJ-UHFFFAOYSA-N 1 0 247.338 2.247 20 30 BEEDRO C#CCC1(O)CC[NH+](CC2(C)CCCC2)CC1 ZINC000895670616 583706472 /nfs/dbraw/zinc/70/64/72/583706472.db2.gz NQLFEQJCTKAQFT-UHFFFAOYSA-N 1 0 235.371 2.417 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CSCCC ZINC000895672852 583706752 /nfs/dbraw/zinc/70/67/52/583706752.db2.gz XZBCDYNJLFSXOS-VXGBXAGGSA-N 1 0 229.389 2.146 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000895671952 583707100 /nfs/dbraw/zinc/70/71/00/583707100.db2.gz NFIKSIIJLVMJKD-XJFOESAGSA-N 1 0 221.344 2.193 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000895712665 583710653 /nfs/dbraw/zinc/71/06/53/583710653.db2.gz CLLCNAORKVHDFQ-YIYPIFLZSA-N 1 0 223.360 2.339 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1nc(Cl)cs1 ZINC000895713000 583711016 /nfs/dbraw/zinc/71/10/16/583711016.db2.gz GGPXPUBIUJWBLI-MRVPVSSYSA-N 1 0 246.763 2.213 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]CC1CCSCC1 ZINC000895713488 583711295 /nfs/dbraw/zinc/71/12/95/583711295.db2.gz PIFOENJFOLEMEB-LBPRGKRZSA-N 1 0 229.389 2.046 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895778661 583726454 /nfs/dbraw/zinc/72/64/54/583726454.db2.gz CECKBULDDZQHOR-UTUOFQBUSA-N 1 0 224.373 2.221 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(OC)OC ZINC000895792466 583729206 /nfs/dbraw/zinc/72/92/06/583729206.db2.gz DJFVZTUDYBJUSQ-GARJFASQSA-N 1 0 215.337 2.184 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nnc(C)s2)CC1 ZINC000895954134 583752048 /nfs/dbraw/zinc/75/20/48/583752048.db2.gz WYOATJCEAQTVTR-XYPYZODXSA-N 1 0 235.356 2.128 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CSCCC ZINC000896035615 583765178 /nfs/dbraw/zinc/76/51/78/583765178.db2.gz WQMRLIHJTFOTSK-NEPJUHHUSA-N 1 0 231.405 2.435 20 30 BEEDRO C=C1CCC(C(=O)NCC[N@@H+](C)C(C)C)CC1 ZINC000896072862 583768635 /nfs/dbraw/zinc/76/86/35/583768635.db2.gz KGIRUTBVZYDBFX-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(COC)cc1 ZINC000883400272 583795884 /nfs/dbraw/zinc/79/58/84/583795884.db2.gz IMFFDAGAXCMNDN-OAHLLOKOSA-N 1 0 249.354 2.250 20 30 BEEDRO CC[C@](C)(C[N@@H+]1CCC[C@@H](C#N)C1)OC ZINC000896503574 583807859 /nfs/dbraw/zinc/80/78/59/583807859.db2.gz LDCSOANWXBZXNJ-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000896607999 583817156 /nfs/dbraw/zinc/81/71/56/583817156.db2.gz KNZUVCVBDVCDNR-VOMCLLRMSA-N 1 0 224.348 2.472 20 30 BEEDRO C=CCSCC[NH2+]Cc1ccnc(F)c1 ZINC000858128028 588934690 /nfs/dbraw/zinc/93/46/90/588934690.db2.gz YNWKNSHINZBZGE-UHFFFAOYSA-N 1 0 226.320 2.230 20 30 BEEDRO C=C(C[NH2+]C[C@@H](O)C1CC1)c1ccccc1 ZINC000148039699 583831043 /nfs/dbraw/zinc/83/10/43/583831043.db2.gz YURZSIIUSLMLGK-CQSZACIVSA-N 1 0 217.312 2.060 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC2CC=CC2)n1 ZINC000896865078 583842458 /nfs/dbraw/zinc/84/24/58/583842458.db2.gz SYUSIBDLHWLVFO-UHFFFAOYSA-N 1 0 227.311 2.399 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@H](OCC)C2)cc1 ZINC000897068677 583876977 /nfs/dbraw/zinc/87/69/77/583876977.db2.gz XEQDHNWSXANJSB-HNNXBMFYSA-N 1 0 229.323 2.279 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000858207336 588938414 /nfs/dbraw/zinc/93/84/14/588938414.db2.gz VCUVYSXVMQJUPT-VXGBXAGGSA-N 1 0 234.347 2.132 20 30 BEEDRO C#CCN(Cc1nc(C(C)C)c[nH]1)C(C)C ZINC000897171108 583889213 /nfs/dbraw/zinc/88/92/13/583889213.db2.gz QKRXCCGUJFVJMF-UHFFFAOYSA-N 1 0 219.332 2.377 20 30 BEEDRO C#CC[N@H+](Cc1ccc(O)c(F)c1)C(C)C ZINC000897170933 583889555 /nfs/dbraw/zinc/88/95/55/583889555.db2.gz LRMNNIQSOTUHJR-UHFFFAOYSA-N 1 0 221.275 2.375 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(F)cc1C#N ZINC000728568579 583897673 /nfs/dbraw/zinc/89/76/73/583897673.db2.gz DAOBVJGTKBVILG-UHFFFAOYSA-N 1 0 221.235 2.106 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]Cc1cc(C2CC2)nn1C ZINC000897224557 583897681 /nfs/dbraw/zinc/89/76/81/583897681.db2.gz SGHXONQPQNQIOW-NSHDSACASA-N 1 0 246.358 2.327 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[N@H+]1C(C)(C)C)C1CC1 ZINC000897303119 583912100 /nfs/dbraw/zinc/91/21/00/583912100.db2.gz GHBOMKCFBOPTHZ-GFCCVEGCSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@H](C[NH+](C)C)C(C)C ZINC000870568299 583923275 /nfs/dbraw/zinc/92/32/75/583923275.db2.gz WMDDBSYTECQIQG-LLVKDONJSA-N 1 0 227.348 2.328 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000858297469 588942967 /nfs/dbraw/zinc/94/29/67/588942967.db2.gz DKIYCXOWKBCOLU-JKSUJKDBSA-N 1 0 241.334 2.325 20 30 BEEDRO C#C[C@@H]1CCCCN1c1cc[nH+]c(C)c1 ZINC000897360317 583938382 /nfs/dbraw/zinc/93/83/82/583938382.db2.gz CRSUOHPZGOTTLB-GFCCVEGCSA-N 1 0 200.285 2.382 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000840729087 583940392 /nfs/dbraw/zinc/94/03/92/583940392.db2.gz RWHYQPYJQIKCCD-LBPRGKRZSA-N 1 0 232.327 2.024 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccc(F)cc1 ZINC000858332205 588946133 /nfs/dbraw/zinc/94/61/33/588946133.db2.gz QFDMHWIZNAPRPW-CQSZACIVSA-N 1 0 235.302 2.344 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000897388318 583947591 /nfs/dbraw/zinc/94/75/91/583947591.db2.gz BJFIPNBLBHOKCK-SGMGOOAPSA-N 1 0 234.343 2.227 20 30 BEEDRO CCC(CC)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897398498 583949410 /nfs/dbraw/zinc/94/94/10/583949410.db2.gz GODSDXJDWWYYOS-UHFFFAOYSA-N 1 0 246.358 2.391 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccnn2CC(C)C)C1 ZINC000862448055 583962792 /nfs/dbraw/zinc/96/27/92/583962792.db2.gz WEEMXTIQVOINBV-CQSZACIVSA-N 1 0 245.370 2.384 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(COC)o2)C1 ZINC000862445383 583962894 /nfs/dbraw/zinc/96/28/94/583962894.db2.gz SBTDYCNREKELDM-LBPRGKRZSA-N 1 0 233.311 2.271 20 30 BEEDRO CCC(=[NH+]N[C@@H](C)CC#N)c1ccc(N)cc1 ZINC000863103835 583975535 /nfs/dbraw/zinc/97/55/35/583975535.db2.gz LWOBKLUYMFLZFZ-JTQLQIEISA-N 1 0 230.315 2.275 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc2c1CCC2 ZINC000858334240 588946565 /nfs/dbraw/zinc/94/65/65/588946565.db2.gz JYLLRTKZYIOLBK-HNNXBMFYSA-N 1 0 243.350 2.303 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(CC)c1 ZINC000858335265 588947226 /nfs/dbraw/zinc/94/72/26/588947226.db2.gz WPKNYXWXBKKYHU-OAHLLOKOSA-N 1 0 231.339 2.377 20 30 BEEDRO CCC[C@@H](C)CN1CCO[C@](C)(C#N)C1 ZINC000897584461 584022082 /nfs/dbraw/zinc/02/20/82/584022082.db2.gz HDTQNQQVJPRHDD-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCC[C@H]2O)C1 ZINC000897536321 584009579 /nfs/dbraw/zinc/00/95/79/584009579.db2.gz HIVSMGWWIGIQFX-AAVRWANBSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCC[C@H]2O)C1 ZINC000897536324 584009626 /nfs/dbraw/zinc/00/96/26/584009626.db2.gz HIVSMGWWIGIQFX-YIYPIFLZSA-N 1 0 236.359 2.209 20 30 BEEDRO CC(C)C1CCC(=[NH+]n2cnnc2)CC1 ZINC000729632331 584020342 /nfs/dbraw/zinc/02/03/42/584020342.db2.gz QRXJMJJRPPWWEP-UHFFFAOYSA-N 1 0 206.293 2.328 20 30 BEEDRO CC(CSC(C)(C)C)=[NH+]n1cnnc1 ZINC000729632322 584020625 /nfs/dbraw/zinc/02/06/25/584020625.db2.gz QQYQFDAORALXIJ-UHFFFAOYSA-N 1 0 212.322 2.034 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C=C\CCC)CC1 ZINC000729977175 584031916 /nfs/dbraw/zinc/03/19/16/584031916.db2.gz MJVMTFOXCQPWBH-SREVYHEPSA-N 1 0 236.359 2.109 20 30 BEEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)n1 ZINC000897957030 584065717 /nfs/dbraw/zinc/06/57/17/584065717.db2.gz AKXUCNOHVVUGBH-INTQDDNPSA-N 1 0 233.340 2.293 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C2CC(CCO)C2)C1 ZINC000898010938 584071745 /nfs/dbraw/zinc/07/17/45/584071745.db2.gz QFBWERLFQBBMIG-RJZJGCCBSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cn(C)nc1OC ZINC000898029566 584077580 /nfs/dbraw/zinc/07/75/80/584077580.db2.gz WFTHQAXIFCWRNB-LBPRGKRZSA-N 1 0 237.347 2.263 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1OC ZINC000898029647 584077632 /nfs/dbraw/zinc/07/76/32/584077632.db2.gz YUIQPTVZNIBIKZ-GHMZBOCLSA-N 1 0 237.347 2.119 20 30 BEEDRO CC1(C)CCN(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000898035552 584079085 /nfs/dbraw/zinc/07/90/85/584079085.db2.gz UXOUCSYCFSEAQC-KGLIPLIRSA-N 1 0 249.402 2.390 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]12C[C@H]1COC21CCC1 ZINC000898065065 584081882 /nfs/dbraw/zinc/08/18/82/584081882.db2.gz QBHFKUFECQTHIA-HZSPNIEDSA-N 1 0 248.370 2.475 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000898202886 584089330 /nfs/dbraw/zinc/08/93/30/584089330.db2.gz FAJXBQXDZHWZJH-GVXVVHGQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H](O)C1CC1 ZINC000898202887 584089337 /nfs/dbraw/zinc/08/93/37/584089337.db2.gz FAJXBQXDZHWZJH-LOWVWBTDSA-N 1 0 211.349 2.338 20 30 BEEDRO CC1(C#N)CCC([NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000898196882 584097483 /nfs/dbraw/zinc/09/74/83/584097483.db2.gz BDZOTKJRXMSZBR-ROKHWSDSSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCC[N@@H+](CC)Cc1cncnc1 ZINC000898246424 584100617 /nfs/dbraw/zinc/10/06/17/584100617.db2.gz QUHSBLHOLYUDBU-UHFFFAOYSA-N 1 0 205.305 2.265 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]Cc1cnc2n1CCOC2 ZINC000898268198 584104035 /nfs/dbraw/zinc/10/40/35/584104035.db2.gz XAOVMIPIPMLVEP-LBPRGKRZSA-N 1 0 249.358 2.248 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2COC[C@H]2C2CC2)CC1 ZINC000898379448 584113238 /nfs/dbraw/zinc/11/32/38/584113238.db2.gz GCSZORCJWYJEFZ-RAFNIBEQSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC=C(C(=O)OC)C1 ZINC000858471736 588958321 /nfs/dbraw/zinc/95/83/21/588958321.db2.gz DATMEGNGIKIJTC-GVXVVHGQSA-N 1 0 237.343 2.439 20 30 BEEDRO COc1cc(C[NH2+]C/C=C/Cl)ccc1C#N ZINC000898426835 584132224 /nfs/dbraw/zinc/13/22/24/584132224.db2.gz AMPWGJRYMVWPPZ-GORDUTHDSA-N 1 0 236.702 2.409 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc(Cl)nn1 ZINC000898459979 584137015 /nfs/dbraw/zinc/13/70/15/584137015.db2.gz AIGMOYYHXYAHNN-UHFFFAOYSA-N 1 0 211.696 2.184 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn(C)nc1C(F)F ZINC000898460176 584137541 /nfs/dbraw/zinc/13/75/41/584137541.db2.gz GAPYPNYDUUMKNQ-UHFFFAOYSA-N 1 0 229.274 2.412 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cn(C)nc1Cl ZINC000898460502 584137891 /nfs/dbraw/zinc/13/78/91/584137891.db2.gz MMNPLFLITXKLCY-UHFFFAOYSA-N 1 0 213.712 2.128 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cncc(OC)c1C ZINC000898461019 584138001 /nfs/dbraw/zinc/13/80/01/584138001.db2.gz YJNKPLZHDCCDJX-UHFFFAOYSA-N 1 0 220.316 2.453 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000898460555 584138241 /nfs/dbraw/zinc/13/82/41/584138241.db2.gz OCOFYNZDQCYVMT-UHFFFAOYSA-N 1 0 237.299 2.429 20 30 BEEDRO C=C1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000898701024 584150954 /nfs/dbraw/zinc/15/09/54/584150954.db2.gz IKULYRKMAAMSLS-CQSZACIVSA-N 1 0 248.370 2.182 20 30 BEEDRO CC(C)(CCC#N)CNc1cc[nH+]c(CO)c1 ZINC000858548003 588964405 /nfs/dbraw/zinc/96/44/05/588964405.db2.gz QDRNSJUAFNBIAN-UHFFFAOYSA-N 1 0 233.315 2.316 20 30 BEEDRO C=CCCCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899271599 584191534 /nfs/dbraw/zinc/19/15/34/584191534.db2.gz HPMDJDNKNCTELC-SNVBAGLBSA-N 1 0 209.337 2.255 20 30 BEEDRO C=C(c1ccc([C@@H]([NH3+])CO)cc1)C(F)(F)F ZINC000899324347 584196432 /nfs/dbraw/zinc/19/64/32/584196432.db2.gz VUZBUAXCUDFVEG-JTQLQIEISA-N 1 0 231.217 2.254 20 30 BEEDRO C=C(c1ccc([C@H]([NH3+])CO)cc1)C(F)(F)F ZINC000899324349 584196500 /nfs/dbraw/zinc/19/65/00/584196500.db2.gz VUZBUAXCUDFVEG-SNVBAGLBSA-N 1 0 231.217 2.254 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2cn(CC)nn2)C1 ZINC000899882583 584246646 /nfs/dbraw/zinc/24/66/46/584246646.db2.gz QPALWTUPXZGMFT-LBPRGKRZSA-N 1 0 234.347 2.086 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](Cc2cn(CC)nn2)C1 ZINC000899882582 584246762 /nfs/dbraw/zinc/24/67/62/584246762.db2.gz QPALWTUPXZGMFT-GFCCVEGCSA-N 1 0 234.347 2.086 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1 ZINC000899891853 584248867 /nfs/dbraw/zinc/24/88/67/584248867.db2.gz SYQAXUWOIQPNNM-GJZGRUSLSA-N 1 0 249.354 2.027 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccccc1F ZINC000899917562 584255010 /nfs/dbraw/zinc/25/50/10/584255010.db2.gz MSZDYLUVKOLNBS-UHFFFAOYSA-N 1 0 236.290 2.272 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899921448 584256768 /nfs/dbraw/zinc/25/67/68/584256768.db2.gz XBPZEYDURSLDPV-KGLIPLIRSA-N 1 0 248.370 2.204 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccccc1C ZINC000899971746 584260660 /nfs/dbraw/zinc/26/06/60/584260660.db2.gz DHEOHBGZIFTPSR-UHFFFAOYSA-N 1 0 246.354 2.119 20 30 BEEDRO C=C[C@H](CC)Cc1nc(C2([NH3+])CCC2)no1 ZINC000900009008 584264780 /nfs/dbraw/zinc/26/47/80/584264780.db2.gz SIAVSFSXGZTKBN-SECBINFHSA-N 1 0 221.304 2.162 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCC1CCCC1 ZINC000900109721 584276522 /nfs/dbraw/zinc/27/65/22/584276522.db2.gz PBTGFEAJNVTCDN-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CCC)CC(C)C ZINC000900145108 584278165 /nfs/dbraw/zinc/27/81/65/584278165.db2.gz ZPYQSYNKSHULGD-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1C(C)C ZINC000900378505 584299432 /nfs/dbraw/zinc/29/94/32/584299432.db2.gz KANYMGHYESYXPW-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000900565539 584325902 /nfs/dbraw/zinc/32/59/02/584325902.db2.gz MADVNTWGINRWHV-STQMWFEESA-N 1 0 238.375 2.284 20 30 BEEDRO C#CCCCCCCn1cc(C[NH2+]C(C)C)nn1 ZINC000900641520 584331942 /nfs/dbraw/zinc/33/19/42/584331942.db2.gz WSCCHWKRSPVCGY-UHFFFAOYSA-N 1 0 248.374 2.360 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900585534 584332004 /nfs/dbraw/zinc/33/20/04/584332004.db2.gz SRZMHOMZFGWCHK-UONOGXRCSA-N 1 0 248.370 2.182 20 30 BEEDRO C#CCCCCCCn1cc([C@](C)([NH3+])CC)nn1 ZINC000900644047 584338324 /nfs/dbraw/zinc/33/83/24/584338324.db2.gz RJVGMSYLHMFREX-CQSZACIVSA-N 1 0 248.374 2.446 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C(C)(C)C ZINC000900724047 584345092 /nfs/dbraw/zinc/34/50/92/584345092.db2.gz WZJZJUOQZVPBAT-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900742533 584348341 /nfs/dbraw/zinc/34/83/41/584348341.db2.gz ROJAFKNARVMIOF-RWMBFGLXSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCC(C)(C)C ZINC000900793403 584352616 /nfs/dbraw/zinc/35/26/16/584352616.db2.gz UKNUSOZBNWBRTE-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO CCn1cnc(CN=Nc2ccc(C)cn2)c1 ZINC000901183325 584392619 /nfs/dbraw/zinc/39/26/19/584392619.db2.gz MOZKUIUPZJVIOH-UHFFFAOYSA-N 1 0 229.287 2.052 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC(C)C ZINC000901175045 584395669 /nfs/dbraw/zinc/39/56/69/584395669.db2.gz AKKLNJWILHRVNI-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1O ZINC000901216603 584401642 /nfs/dbraw/zinc/40/16/42/584401642.db2.gz DTTXLHRUHYTSCM-UHFFFAOYSA-N 1 0 248.326 2.147 20 30 BEEDRO CCN[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000901278157 584413708 /nfs/dbraw/zinc/41/37/08/584413708.db2.gz MYDWYPAWGYUJAO-UHFFFAOYSA-N 1 0 205.305 2.086 20 30 BEEDRO CCN[NH+]=C(C)c1ccccc1N(C)C ZINC000901281324 584414855 /nfs/dbraw/zinc/41/48/55/584414855.db2.gz NLHGZOHQUPIDNO-UHFFFAOYSA-N 1 0 205.305 2.086 20 30 BEEDRO CCNN=C(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901280973 584414965 /nfs/dbraw/zinc/41/49/65/584414965.db2.gz HLBZQPJHYSNSAS-OAHLLOKOSA-N 1 0 245.370 2.494 20 30 BEEDRO CCN[NH+]=C1CC(C)(C)Oc2ccc(N)cc21 ZINC000901282320 584415103 /nfs/dbraw/zinc/41/51/03/584415103.db2.gz DWDFSUDJEIWNKS-UHFFFAOYSA-N 1 0 233.315 2.144 20 30 BEEDRO CCNN=Cc1cc(C)nc2c1CCCC2 ZINC000901286448 584422026 /nfs/dbraw/zinc/42/20/26/584422026.db2.gz ROKGHDHLWDYXDD-UHFFFAOYSA-N 1 0 217.316 2.212 20 30 BEEDRO C=CCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC000901315534 584428695 /nfs/dbraw/zinc/42/86/95/584428695.db2.gz VTGQNUZSAAPFES-OCCSQVGLSA-N 1 0 248.370 2.180 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccc(F)c(F)c1 ZINC000901317608 584429249 /nfs/dbraw/zinc/42/92/49/584429249.db2.gz KWEXUEPELNRIFG-QMMMGPOBSA-N 1 0 239.269 2.314 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCC1CC=CC1 ZINC000901585036 584467675 /nfs/dbraw/zinc/46/76/75/584467675.db2.gz CZWCQDQPQHFRLW-ZDUSSCGKSA-N 1 0 217.316 2.376 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000901670638 584477845 /nfs/dbraw/zinc/47/78/45/584477845.db2.gz YRHMJFVHGVKQQG-MROQNXINSA-N 1 0 217.316 2.208 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000901670639 584477886 /nfs/dbraw/zinc/47/78/86/584477886.db2.gz YRHMJFVHGVKQQG-YVECIDJPSA-N 1 0 217.316 2.208 20 30 BEEDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1cccc(C#N)c1 ZINC000902472219 584601160 /nfs/dbraw/zinc/60/11/60/584601160.db2.gz ZCWIACNBOAGVHT-AQNFWKISSA-N 1 0 241.338 2.102 20 30 BEEDRO C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccc(C#N)cc1 ZINC000902474628 584601711 /nfs/dbraw/zinc/60/17/11/584601711.db2.gz GQCFSYJFSGHUAX-OADPDTJPSA-N 1 0 241.338 2.102 20 30 BEEDRO CNc1ccccc1C[NH2+]CCCC#N ZINC000902478602 584603647 /nfs/dbraw/zinc/60/36/47/584603647.db2.gz VDKGXCUBVZDRJJ-UHFFFAOYSA-N 1 0 203.289 2.122 20 30 BEEDRO C=CCCC[N@@H+](CC)CN1CC[C@@H](C)C1=O ZINC000902669494 584654285 /nfs/dbraw/zinc/65/42/85/584654285.db2.gz NHWRYQQUILLVRI-GFCCVEGCSA-N 1 0 224.348 2.100 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCO)[C@]1(C)CCCCO1 ZINC000902720186 584659254 /nfs/dbraw/zinc/65/92/54/584659254.db2.gz FPBLFHYZKLVQPC-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO CC(C)OCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902724535 584660938 /nfs/dbraw/zinc/66/09/38/584660938.db2.gz BMWMCSGCXFBUCX-LBPRGKRZSA-N 1 0 247.342 2.419 20 30 BEEDRO C[C@H]([NH2+]CC[C@H]1CCCO1)c1cc(C#N)ccn1 ZINC000902738672 584663218 /nfs/dbraw/zinc/66/32/18/584663218.db2.gz FRXVGSCLEIJXRL-WCQYABFASA-N 1 0 245.326 2.173 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(C#N)ccn1 ZINC000902766947 584666716 /nfs/dbraw/zinc/66/67/16/584666716.db2.gz VEMGULOABFNYLP-JBLDHEPKSA-N 1 0 215.300 2.260 20 30 BEEDRO C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cc(C#N)ccn1 ZINC000902802895 584671438 /nfs/dbraw/zinc/67/14/38/584671438.db2.gz QTZMOTMQEHYJEO-SMDDNHRTSA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)c1cc(C#N)ccn1 ZINC000902791069 584672527 /nfs/dbraw/zinc/67/25/27/584672527.db2.gz SVNRJYWSFDGHLW-NSHDSACASA-N 1 0 228.299 2.298 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902789306 584672774 /nfs/dbraw/zinc/67/27/74/584672774.db2.gz DQZMHDJLFXVEMY-ODXJTPSBSA-N 1 0 234.343 2.083 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cccc(C#N)c1 ZINC000902791893 584673603 /nfs/dbraw/zinc/67/36/03/584673603.db2.gz ZIYVLKFNFMOTAU-HUUCEWRRSA-N 1 0 243.354 2.303 20 30 BEEDRO C[C@@H]([NH2+]CCOCC1CC1)c1cc(C#N)ccn1 ZINC000902796163 584674262 /nfs/dbraw/zinc/67/42/62/584674262.db2.gz KLJUXUKWZDNQGK-LLVKDONJSA-N 1 0 245.326 2.030 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902820626 584675867 /nfs/dbraw/zinc/67/58/67/584675867.db2.gz CYNOVKQMXMLRNI-NSHDSACASA-N 1 0 213.284 2.017 20 30 BEEDRO C[C@H]([NH2+]Cc1ccn(C)c1)c1cc(C#N)ccn1 ZINC000902832523 584678758 /nfs/dbraw/zinc/67/87/58/584678758.db2.gz WAHMGPKQDYBORI-NSHDSACASA-N 1 0 240.310 2.143 20 30 BEEDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902872739 584684253 /nfs/dbraw/zinc/68/42/53/584684253.db2.gz NAFPUUMJJQZQDE-YPMHNXCESA-N 1 0 247.342 2.155 20 30 BEEDRO COC[C@@H]([NH2+][C@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000902886891 584689264 /nfs/dbraw/zinc/68/92/64/584689264.db2.gz VSBDPRWHJRVQQN-QMTHXVAHSA-N 1 0 245.326 2.029 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000902894107 584690780 /nfs/dbraw/zinc/69/07/80/584690780.db2.gz HZRLZROKNGRSIO-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO CCO[C@@H]1CCC[C@H]([NH2+]CCCC#N)C1 ZINC000902950772 584704237 /nfs/dbraw/zinc/70/42/37/584704237.db2.gz KZPVEYCCVBHFHL-NWDGAFQWSA-N 1 0 210.321 2.227 20 30 BEEDRO CSC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)CC1 ZINC000902975605 584707653 /nfs/dbraw/zinc/70/76/53/584707653.db2.gz IQCBMBMJOVJOCZ-JTQLQIEISA-N 1 0 247.367 2.499 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cc(C#N)ccn1 ZINC000902987582 584708958 /nfs/dbraw/zinc/70/89/58/584708958.db2.gz OUUBWYPUGSAHRZ-GBIKHYSHSA-N 1 0 247.367 2.355 20 30 BEEDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903018471 584713596 /nfs/dbraw/zinc/71/35/96/584713596.db2.gz CSCHVVHYUYGQBB-NEPJUHHUSA-N 1 0 247.342 2.276 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000903008551 584717638 /nfs/dbraw/zinc/71/76/38/584717638.db2.gz QWSQWPWSBPWYCX-ITGHMWBKSA-N 1 0 221.344 2.498 20 30 BEEDRO CCC1(C[NH2+][C@@H](C)c2cc(C#N)ccn2)COC1 ZINC000903012592 584718169 /nfs/dbraw/zinc/71/81/69/584718169.db2.gz RCPROOZDXDRROJ-NSHDSACASA-N 1 0 245.326 2.030 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@]1(C)CCCO1 ZINC000903033272 584718315 /nfs/dbraw/zinc/71/83/15/584718315.db2.gz RPUILOJNKCXSHH-NWDGAFQWSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)[C@H](Cn1cccn1)[NH2+]CC1(C#N)CCC1 ZINC000903032180 584718673 /nfs/dbraw/zinc/71/86/73/584718673.db2.gz FRFZVHGCJQPOIB-ZDUSSCGKSA-N 1 0 246.358 2.191 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C#N)c1 ZINC000903059247 584722685 /nfs/dbraw/zinc/72/26/85/584722685.db2.gz NKUYLQKTGGLREW-MGPQQGTHSA-N 1 0 230.311 2.122 20 30 BEEDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cccc(C#N)c1 ZINC000903059245 584722938 /nfs/dbraw/zinc/72/29/38/584722938.db2.gz NKUYLQKTGGLREW-IHRRRGAJSA-N 1 0 230.311 2.122 20 30 BEEDRO C[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(C#N)ccn1 ZINC000903046330 584723656 /nfs/dbraw/zinc/72/36/56/584723656.db2.gz ZVLQYJBQZDQCCR-ZYHUDNBSSA-N 1 0 245.326 2.171 20 30 BEEDRO CC[C@@H]([NH2+]C/C=C\CO)c1cccc(C#N)c1 ZINC000903048660 584723718 /nfs/dbraw/zinc/72/37/18/584723718.db2.gz QTMWMXODCYDGTQ-VQTKUKTRSA-N 1 0 230.311 2.147 20 30 BEEDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(C#N)ccn1 ZINC000903047636 584723787 /nfs/dbraw/zinc/72/37/87/584723787.db2.gz BFVZXQLAPPQZRW-CMPLNLGQSA-N 1 0 213.284 2.322 20 30 BEEDRO COCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)C#N ZINC000903101831 584727127 /nfs/dbraw/zinc/72/71/27/584727127.db2.gz NJLKDZGUHZULTO-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000903101526 584727384 /nfs/dbraw/zinc/72/73/84/584727384.db2.gz HZFFZGUJALVLNA-NSHDSACASA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903126779 584729621 /nfs/dbraw/zinc/72/96/21/584729621.db2.gz SXXVIYQYJJAQLD-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000903216712 584737363 /nfs/dbraw/zinc/73/73/63/584737363.db2.gz GWOLBPPVPFCYJY-XDQVBPFNSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC)CC1 ZINC000903216710 584737407 /nfs/dbraw/zinc/73/74/07/584737407.db2.gz GWOLBPPVPFCYJY-AAVRWANBSA-N 1 0 221.344 2.336 20 30 BEEDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000903255731 584740046 /nfs/dbraw/zinc/74/00/46/584740046.db2.gz ZYLQJHACYUXVET-QRNINRFLSA-N 1 0 204.317 2.313 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C1CC(CC(N)=O)C1 ZINC000903261836 584740645 /nfs/dbraw/zinc/74/06/45/584740645.db2.gz ZJMOCCMFBUDCRJ-OTTFEQOBSA-N 1 0 238.375 2.365 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C1 ZINC000903266549 584741486 /nfs/dbraw/zinc/74/14/86/584741486.db2.gz ZJPPQALJDQEQOJ-ZRJCITRHSA-N 1 0 234.343 2.226 20 30 BEEDRO C[C@H]1[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CCN1C ZINC000903301799 584745170 /nfs/dbraw/zinc/74/51/70/584745170.db2.gz UJTYIDFMSIFACN-AHPWVWPOSA-N 1 0 235.375 2.141 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN1C ZINC000903315817 584749261 /nfs/dbraw/zinc/74/92/61/584749261.db2.gz JVNRSGARCDGVJN-HZSPNIEDSA-N 1 0 222.376 2.415 20 30 BEEDRO C=CCC[C@H]([NH2+]C1CC(CCO)C1)C1CC1 ZINC000903330567 584753892 /nfs/dbraw/zinc/75/38/92/584753892.db2.gz RTBBQTFSHYBMKC-UBHUBRDASA-N 1 0 223.360 2.482 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903332344 584754809 /nfs/dbraw/zinc/75/48/09/584754809.db2.gz RCWBBLPDEYHJNZ-GHMZBOCLSA-N 1 0 247.342 2.417 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1CCCN(CC)C1=O ZINC000903392152 584756052 /nfs/dbraw/zinc/75/60/52/584756052.db2.gz NOXWDDMCWLWXGE-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C[C@H]1COC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000903393881 584756596 /nfs/dbraw/zinc/75/65/96/584756596.db2.gz VFWMFUNCNNTKBH-QCXCNERSSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(C#N)c(F)c1 ZINC000903395889 584756918 /nfs/dbraw/zinc/75/69/18/584756918.db2.gz OBEYGUQCGOTRJE-PKFCDNJMSA-N 1 0 248.301 2.383 20 30 BEEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccc(C#N)cc1F ZINC000903395606 584757006 /nfs/dbraw/zinc/75/70/06/584757006.db2.gz MSGHPQNSTCHYLQ-PKFCDNJMSA-N 1 0 248.301 2.383 20 30 BEEDRO CCC[C@H]1CNCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000903447275 584770654 /nfs/dbraw/zinc/77/06/54/584770654.db2.gz MFEYAJCXYZCUQS-NRXISQOPSA-N 1 0 249.402 2.390 20 30 BEEDRO Cc1cc(C#N)cc(C)c1CN1C[C@H]([NH3+])C[C@@H]1C ZINC000903477022 584777240 /nfs/dbraw/zinc/77/72/40/584777240.db2.gz RBXRWHFTKVNMSZ-GXTWGEPZSA-N 1 0 243.354 2.097 20 30 BEEDRO C[C@H](CN)[N@H+](C)CCCCC1(C#N)CCC1 ZINC000903716932 584792575 /nfs/dbraw/zinc/79/25/75/584792575.db2.gz VVNSSGOCUZXNSL-GFCCVEGCSA-N 1 0 223.364 2.130 20 30 BEEDRO CCCCCCCN1CC[NH2+]C[C@H]1CCOC ZINC000903832916 584806366 /nfs/dbraw/zinc/80/63/66/584806366.db2.gz SUYMOHUKFWDAEN-CQSZACIVSA-N 1 0 242.407 2.267 20 30 BEEDRO CCCCCCCCN1CC[NH2+]C[C@H]1COC ZINC000903876374 584816695 /nfs/dbraw/zinc/81/66/95/584816695.db2.gz XPOPYWSWHJZJCA-AWEZNQCLSA-N 1 0 242.407 2.267 20 30 BEEDRO C=C[C@H]1CCCCN1C[C@H]([NH3+])CC(F)F ZINC000903914748 584818942 /nfs/dbraw/zinc/81/89/42/584818942.db2.gz VUADETKZIDTJCT-ZJUUUORDSA-N 1 0 218.291 2.009 20 30 BEEDRO C=CC(C)(C)Cc1nc([C@H](C)C[NH2+]C)no1 ZINC000904077253 584839880 /nfs/dbraw/zinc/83/98/80/584839880.db2.gz SHBLPCSPAJPNIR-SECBINFHSA-N 1 0 223.320 2.147 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@@H]2CC[N@@H+](C)C2)n1 ZINC000904079112 584840134 /nfs/dbraw/zinc/84/01/34/584840134.db2.gz CCGDHSNKVXDGBM-NSHDSACASA-N 1 0 249.358 2.418 20 30 BEEDRO CN1CCc2cc(C=[NH+]OCC(F)F)ccc21 ZINC000758907513 584906202 /nfs/dbraw/zinc/90/62/02/584906202.db2.gz WHVQTCNWMRWDIV-UHFFFAOYSA-N 1 0 240.253 2.295 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(CC)o2)C1 ZINC000829784299 584907712 /nfs/dbraw/zinc/90/77/12/584907712.db2.gz IJTJGOTXHSZUCY-VXGBXAGGSA-N 1 0 247.342 2.428 20 30 BEEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCCC[C@H]1C ZINC000834971463 584916191 /nfs/dbraw/zinc/91/61/91/584916191.db2.gz WUKATWWWZRJHKV-SCVCMEIPSA-N 1 0 236.363 2.126 20 30 BEEDRO COCC#CC[N@H+]1Cc2ccccc2[C@H](C)C1 ZINC000762917675 584917874 /nfs/dbraw/zinc/91/78/74/584917874.db2.gz MYJAEUVHILBQAT-CYBMUJFWSA-N 1 0 229.323 2.256 20 30 BEEDRO CCC(Cc1cccs1)=[NH+]n1cnnc1 ZINC000730945549 584920334 /nfs/dbraw/zinc/92/03/34/584920334.db2.gz MHLKQVDTLRYANK-UHFFFAOYSA-N 1 0 220.301 2.196 20 30 BEEDRO C=CCCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000735490832 584978009 /nfs/dbraw/zinc/97/80/09/584978009.db2.gz RXZZMAMCCLCHDO-GFCCVEGCSA-N 1 0 225.332 2.180 20 30 BEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)[C@H]1CC12CC2 ZINC000817721076 584988458 /nfs/dbraw/zinc/98/84/58/584988458.db2.gz CTJLETWKEHCRRO-QWHCGFSZSA-N 1 0 249.354 2.063 20 30 BEEDRO C=CCN(CC[NH+]1CCCCC1)C(C)C ZINC000736946118 585019868 /nfs/dbraw/zinc/01/98/68/585019868.db2.gz LGWQJCGJODZHFR-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCC)C1CCC1 ZINC000838313718 585051963 /nfs/dbraw/zinc/05/19/63/585051963.db2.gz GBMNJZQCHJXWNP-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)C[C@@H](O)C1CC1 ZINC000838786360 585070170 /nfs/dbraw/zinc/07/01/70/585070170.db2.gz FDKTVZZAJWVMTI-OAHLLOKOSA-N 1 0 231.339 2.446 20 30 BEEDRO C#CC[C@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1 ZINC000838913967 585078006 /nfs/dbraw/zinc/07/80/06/585078006.db2.gz YBIVREVOZGKPOJ-GJZGRUSLSA-N 1 0 229.323 2.112 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000838987370 585084797 /nfs/dbraw/zinc/08/47/97/585084797.db2.gz DIYRLDUFHBPDLD-KXUCPTDWSA-N 1 0 235.780 2.238 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000838987374 585084846 /nfs/dbraw/zinc/08/48/46/585084846.db2.gz DIYRLDUFHBPDLD-UTLUCORTSA-N 1 0 235.780 2.238 20 30 BEEDRO C=CCC[N@@H+]1CCCC[C@H]1CN1CCCC1=O ZINC000739915504 585085558 /nfs/dbraw/zinc/08/55/58/585085558.db2.gz PVNIIEJYYCUJAQ-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCN1CCOC1=O ZINC000739930418 585086561 /nfs/dbraw/zinc/08/65/61/585086561.db2.gz LQGYCAXTNRWFFN-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2CC3(CCC3)C2)nc1 ZINC000839030467 585088445 /nfs/dbraw/zinc/08/84/45/585088445.db2.gz QKVAOPNPDKIIPR-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO C#CCC[NH2+][C@H](C)CCCc1cccnc1 ZINC000839142955 585094874 /nfs/dbraw/zinc/09/48/74/585094874.db2.gz LQTDYTLKXAXSMV-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CC(C)(C)CC#N ZINC000839162898 585097997 /nfs/dbraw/zinc/09/79/97/585097997.db2.gz DCONUGUAJBRQNB-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](CO)C(=C)C ZINC000839471588 585105022 /nfs/dbraw/zinc/10/50/22/585105022.db2.gz YGIPHEWZNMRJJU-HNNXBMFYSA-N 1 0 247.313 2.198 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@H](CO)C(=C)C ZINC000839471590 585105079 /nfs/dbraw/zinc/10/50/79/585105079.db2.gz YGIPHEWZNMRJJU-OAHLLOKOSA-N 1 0 247.313 2.198 20 30 BEEDRO C=CCCOC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741019587 585109057 /nfs/dbraw/zinc/10/90/57/585109057.db2.gz WHWDOXJPNJWMGI-TUAOUCFPSA-N 1 0 225.332 2.367 20 30 BEEDRO C[C@@H](C(=O)OCCCC#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741015451 585109093 /nfs/dbraw/zinc/10/90/93/585109093.db2.gz BKDSIYWICQJKJL-TUAOUCFPSA-N 1 0 238.331 2.095 20 30 BEEDRO C=C(Cl)COC(=O)[C@H](CC)[NH+](CC)CC ZINC000741032979 585109390 /nfs/dbraw/zinc/10/93/90/585109390.db2.gz OIWOSYBSXOAAOT-JTQLQIEISA-N 1 0 233.739 2.403 20 30 BEEDRO C=C(C)COC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000741018466 585109649 /nfs/dbraw/zinc/10/96/49/585109649.db2.gz GEXDYEZQHIAEFX-GRYCIOLGSA-N 1 0 225.332 2.367 20 30 BEEDRO C[C@@H]1CC(=NNCc2cccc(F)c2)CC[N@@H+]1C ZINC000741460321 585114381 /nfs/dbraw/zinc/11/43/81/585114381.db2.gz NHINKCICBTYVCF-LLVKDONJSA-N 1 0 249.333 2.385 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1 ZINC000886365493 585134943 /nfs/dbraw/zinc/13/49/43/585134943.db2.gz JRQXFMIRTBZUKA-KGLIPLIRSA-N 1 0 233.355 2.291 20 30 BEEDRO C[C@@H]([NH2+]Cc1cncnc1)c1cccc(C#N)c1 ZINC000743495447 585137541 /nfs/dbraw/zinc/13/75/41/585137541.db2.gz FONDIOOJBJIFHQ-LLVKDONJSA-N 1 0 238.294 2.199 20 30 BEEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC#N)c1 ZINC000743714611 585138968 /nfs/dbraw/zinc/13/89/68/585138968.db2.gz HNRMFFRGHOEDLZ-GFCCVEGCSA-N 1 0 245.326 2.215 20 30 BEEDRO N#CC1CC[NH+](CCCCCCCO)CC1 ZINC000743842614 585140147 /nfs/dbraw/zinc/14/01/47/585140147.db2.gz IHRMXCZFQJPFQU-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C(=NNc1ccnc2ccccc21)c1cc[nH]c1 ZINC000745203574 585157924 /nfs/dbraw/zinc/15/79/24/585157924.db2.gz ICQFVUYVBCIDSY-UHFFFAOYSA-N 1 0 236.278 2.431 20 30 BEEDRO C#CC[N@H+](CC)CCOCc1ccc(OC)cc1 ZINC000746457580 585168360 /nfs/dbraw/zinc/16/83/60/585168360.db2.gz JUEBBXZIIFIZDY-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO COC[C@H](C)ON=C(N)c1ccc(Cl)cc1 ZINC000748097196 585186904 /nfs/dbraw/zinc/18/69/04/585186904.db2.gz FXDUZGZULSGLLT-QMMMGPOBSA-N 1 0 242.706 2.012 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000749562704 585203753 /nfs/dbraw/zinc/20/37/53/585203753.db2.gz RPROSOURNDYJDP-NWDGAFQWSA-N 1 0 229.751 2.487 20 30 BEEDRO COc1ccc(N=NC2C[NH+]3CCC2CC3)cc1 ZINC000750923234 585222226 /nfs/dbraw/zinc/22/22/26/585222226.db2.gz FXLRWMXUJLZUGJ-UHFFFAOYSA-N 1 0 245.326 2.189 20 30 BEEDRO Cc1cc(F)ccc1N=NC1C[N@@H+](C)C[C@@H]1C ZINC000750938740 585222484 /nfs/dbraw/zinc/22/24/84/585222484.db2.gz NJXCAPXOPFPLKY-JTQLQIEISA-N 1 0 235.306 2.484 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC#N)[C@@H](C)c1ccccc1 ZINC000809578643 585223931 /nfs/dbraw/zinc/22/39/31/585223931.db2.gz PAISTVICMZQUCL-MBNYWOFBSA-N 1 0 232.327 2.043 20 30 BEEDRO CON=C1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000751526474 585231758 /nfs/dbraw/zinc/23/17/58/585231758.db2.gz KPTJKFXFBWERSI-LLVKDONJSA-N 1 0 218.300 2.141 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccccc1 ZINC000752157418 585243076 /nfs/dbraw/zinc/24/30/76/585243076.db2.gz NTIKLGCBYUDNOJ-SNVBAGLBSA-N 1 0 203.289 2.036 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccccc1F ZINC000752161427 585243251 /nfs/dbraw/zinc/24/32/51/585243251.db2.gz SHYIRQRAKQBYMZ-SECBINFHSA-N 1 0 221.279 2.175 20 30 BEEDRO CC1(C)CCC[C@@H](C=[NH+]n2cnnc2)C1 ZINC000752713500 585248978 /nfs/dbraw/zinc/24/89/78/585248978.db2.gz PAIWUZRKMGBFPI-SNVBAGLBSA-N 1 0 206.293 2.328 20 30 BEEDRO CCO[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752723970 585249129 /nfs/dbraw/zinc/24/91/29/585249129.db2.gz PQHNIBKCSBRHMX-UHFFFAOYSA-N 1 0 204.273 2.049 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC)c1ccc(OC)cc1 ZINC000753765356 585268345 /nfs/dbraw/zinc/26/83/45/585268345.db2.gz BPFCFQGJWFPGFX-OAHLLOKOSA-N 1 0 247.338 2.386 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC)c1ccccc1OC ZINC000753766916 585268647 /nfs/dbraw/zinc/26/86/47/585268647.db2.gz HQENFBPSISGQTM-AWEZNQCLSA-N 1 0 247.338 2.386 20 30 BEEDRO C1CCC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CC1 ZINC000753935377 585272335 /nfs/dbraw/zinc/27/23/35/585272335.db2.gz OANGLRANPVFFPJ-TXEJJXNPSA-N 1 0 234.347 2.167 20 30 BEEDRO CC1(C)CCCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753934783 585272405 /nfs/dbraw/zinc/27/24/05/585272405.db2.gz KLZWPQFMIWDCQR-PHIMTYICSA-N 1 0 248.374 2.413 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccccn2)C[N@@H+]1C1CC1 ZINC000753954705 585273330 /nfs/dbraw/zinc/27/33/30/585273330.db2.gz FXPZDLLYEKEHIJ-SNVBAGLBSA-N 1 0 230.315 2.106 20 30 BEEDRO C[C@H]1CC(N=Nc2ccc(F)cn2)C[N@@H+]1C1CC1 ZINC000753960778 585273752 /nfs/dbraw/zinc/27/37/52/585273752.db2.gz VMAHNBACHOHWSM-VIFPVBQESA-N 1 0 248.305 2.245 20 30 BEEDRO Cc1ccc(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)nc1 ZINC000753960889 585273762 /nfs/dbraw/zinc/27/37/62/585273762.db2.gz XEEXQVVRPDTKOF-LLVKDONJSA-N 1 0 244.342 2.415 20 30 BEEDRO C#CCCN1CC[NH+](CC2CCC(C)CC2)CC1 ZINC000754073741 585277394 /nfs/dbraw/zinc/27/73/94/585277394.db2.gz CYWHJHOVBCRZFA-UHFFFAOYSA-N 1 0 248.414 2.454 20 30 BEEDRO CCCCCCCCNC(=O)[C@H](C)[NH+](C)C ZINC000755216465 585296335 /nfs/dbraw/zinc/29/63/35/585296335.db2.gz RMQDICQCYUWKCU-LBPRGKRZSA-N 1 0 228.380 2.413 20 30 BEEDRO CCCCCCCCNC(=O)C[NH+](C)C ZINC000755293458 585297429 /nfs/dbraw/zinc/29/74/29/585297429.db2.gz LBFNINKSTWGFFC-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000809644894 585298576 /nfs/dbraw/zinc/29/85/76/585298576.db2.gz YLAMVTRJBUAZKA-UONOGXRCSA-N 1 0 242.366 2.192 20 30 BEEDRO C[C@@H](CC=[NH+]n1cnnc1)c1ccccc1 ZINC000755462903 585300003 /nfs/dbraw/zinc/30/00/03/585300003.db2.gz FGMOZHYAPWYFJY-NSHDSACASA-N 1 0 214.272 2.306 20 30 BEEDRO CC(C)CN(CCC#N)Cc1ccno1 ZINC000755671624 585303806 /nfs/dbraw/zinc/30/38/06/585303806.db2.gz WWKDZCKRHDAUJF-UHFFFAOYSA-N 1 0 207.277 2.046 20 30 BEEDRO CC(C)[N@H+]1CC(=NO[C@H]2CCCCO2)[C@H](C)C1 ZINC000755821142 585308179 /nfs/dbraw/zinc/30/81/79/585308179.db2.gz BLXMJUJTCWYJJQ-YPMHNXCESA-N 1 0 240.347 2.246 20 30 BEEDRO Cc1ccnc(N=NC2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000755901667 585309695 /nfs/dbraw/zinc/30/96/95/585309695.db2.gz XLWXQFGRJFUDPT-LLVKDONJSA-N 1 0 244.342 2.415 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C(\C)CCC ZINC000756552867 585320822 /nfs/dbraw/zinc/32/08/22/585320822.db2.gz LNGDAELKWHHEAH-YPDDLIOESA-N 1 0 249.354 2.374 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C[C@@H](C)C1CC1 ZINC000756556218 585320903 /nfs/dbraw/zinc/32/09/03/585320903.db2.gz SUMJAYRRIRIPJH-OCCSQVGLSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@H](C=[NH+]n1cnnc1)c1ccc(F)cc1 ZINC000756872771 585324774 /nfs/dbraw/zinc/32/47/74/585324774.db2.gz LLRVNWJEROGYOS-SECBINFHSA-N 1 0 218.235 2.055 20 30 BEEDRO C#CC[C@@H]([NH2+]Cc1cncnc1)c1ccccc1 ZINC000756997531 585326207 /nfs/dbraw/zinc/32/62/07/585326207.db2.gz WOWWHNPOLAQMHN-OAHLLOKOSA-N 1 0 237.306 2.331 20 30 BEEDRO C#CC[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000756997863 585326266 /nfs/dbraw/zinc/32/62/66/585326266.db2.gz OYQMDLFDDZJRJC-CQSZACIVSA-N 1 0 225.295 2.264 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H](CCO)c1cccs1 ZINC000839552256 585329721 /nfs/dbraw/zinc/32/97/21/585329721.db2.gz QCFYPGCGVINCSR-MNOVXSKESA-N 1 0 238.356 2.453 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](CCO)c1cccs1 ZINC000839552258 585329782 /nfs/dbraw/zinc/32/97/82/585329782.db2.gz QCFYPGCGVINCSR-QWRGUYRKSA-N 1 0 238.356 2.453 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000839558173 585331062 /nfs/dbraw/zinc/33/10/62/585331062.db2.gz RAJDTNFSAQHTBE-DGCLKSJQSA-N 1 0 239.746 2.493 20 30 BEEDRO C=C(Cl)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000839615515 585332215 /nfs/dbraw/zinc/33/22/15/585332215.db2.gz VPWQLWJCLZGEPK-SNVBAGLBSA-N 1 0 219.756 2.468 20 30 BEEDRO C#CCCC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000839649310 585333350 /nfs/dbraw/zinc/33/33/50/585333350.db2.gz JXTSCMOXWKWGGW-UHFFFAOYSA-N 1 0 247.382 2.177 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)Cc1occc1C ZINC000839663958 585334666 /nfs/dbraw/zinc/33/46/66/585334666.db2.gz VZXJNVKAVDLQJC-LBPRGKRZSA-N 1 0 236.315 2.339 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000757905949 585346600 /nfs/dbraw/zinc/34/66/00/585346600.db2.gz HOYJCTYITFEFSC-CYBMUJFWSA-N 1 0 243.354 2.405 20 30 BEEDRO CC(=[NH+]NC1CC1)c1ccc(F)cc1N(C)C ZINC000758128761 585349818 /nfs/dbraw/zinc/34/98/18/585349818.db2.gz DCXYNUPNPVFEPR-UHFFFAOYSA-N 1 0 235.306 2.368 20 30 BEEDRO CN(CCC#N)c1ccc(C=[NH+]NC2CC2)cc1 ZINC000758128975 585349936 /nfs/dbraw/zinc/34/99/36/585349936.db2.gz GDJCVUNRNYYDGG-UHFFFAOYSA-N 1 0 242.326 2.122 20 30 BEEDRO C[C@H]1C[N@H+](C)CC1=NOCc1ccc(F)cc1 ZINC000758143152 585350598 /nfs/dbraw/zinc/35/05/98/585350598.db2.gz FEZGZTAUYPTKNI-JTQLQIEISA-N 1 0 236.290 2.280 20 30 BEEDRO Cc1ccc(F)c(N=NC2C[N@@H+](C)C[C@H]2C)c1 ZINC000759663355 585378298 /nfs/dbraw/zinc/37/82/98/585378298.db2.gz CRFNIFPSMJMNTA-SNVBAGLBSA-N 1 0 235.306 2.484 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cccc(OC)c1 ZINC000760819327 585397871 /nfs/dbraw/zinc/39/78/71/585397871.db2.gz JAYVPZWBCBNQLD-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C#CCN(CC[NH+]1CCCC1)C1CCCCC1 ZINC000760820010 585398024 /nfs/dbraw/zinc/39/80/24/585398024.db2.gz NEIQPKVLUVMKHE-UHFFFAOYSA-N 1 0 234.387 2.350 20 30 BEEDRO C#CCC[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000760842027 585399126 /nfs/dbraw/zinc/39/91/26/585399126.db2.gz UQEZFOLKTOGGPI-WCQYABFASA-N 1 0 209.333 2.145 20 30 BEEDRO C#CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000760843517 585399323 /nfs/dbraw/zinc/39/93/23/585399323.db2.gz LATXZTZNYCNNII-MRXNPFEDSA-N 1 0 243.350 2.343 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H](CCC(=O)OCC)C1 ZINC000760887563 585401419 /nfs/dbraw/zinc/40/14/19/585401419.db2.gz RNELMGJQKRESPG-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccccc1C ZINC000761107864 585409817 /nfs/dbraw/zinc/40/98/17/585409817.db2.gz IWAOXXHZAPSRJA-UHFFFAOYSA-N 1 0 217.312 2.077 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccc(F)cc2)C[N@@H+]1C ZINC000761794073 585418749 /nfs/dbraw/zinc/41/87/49/585418749.db2.gz RQNVZQCVVRQSKK-SECBINFHSA-N 1 0 221.279 2.318 20 30 BEEDRO C=CC[N@H+](C[C@H](O)c1ccc(C#N)cc1)C(C)C ZINC000763396756 585447570 /nfs/dbraw/zinc/44/75/70/585447570.db2.gz FBKBRXFGPOFZOC-HNNXBMFYSA-N 1 0 244.338 2.488 20 30 BEEDRO Cn1ccc(C[NH2+]Cc2cc(C#N)ccc2F)c1 ZINC000763476897 585448695 /nfs/dbraw/zinc/44/86/95/585448695.db2.gz CPRPKXFJOJUUSL-UHFFFAOYSA-N 1 0 243.285 2.326 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C)c(C)c1 ZINC000763897444 585456381 /nfs/dbraw/zinc/45/63/81/585456381.db2.gz ZQDVRSGGMCSGHP-UHFFFAOYSA-N 1 0 232.327 2.360 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(C)c1 ZINC000763894733 585456551 /nfs/dbraw/zinc/45/65/51/585456551.db2.gz HESGXBOCTYKIDF-UHFFFAOYSA-N 1 0 218.300 2.051 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000764099736 585459795 /nfs/dbraw/zinc/45/97/95/585459795.db2.gz JIQVGDZXSGHXSO-UHFFFAOYSA-N 1 0 243.310 2.224 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCCC(C)C ZINC000764100411 585459825 /nfs/dbraw/zinc/45/98/25/585459825.db2.gz UPHZSSYXSVEFOT-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)C1CCCCC1 ZINC000764156669 585461039 /nfs/dbraw/zinc/46/10/39/585461039.db2.gz PLCPBIRYSKMTGQ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000764473900 585466274 /nfs/dbraw/zinc/46/62/74/585466274.db2.gz UOPDXQPRAMWRBQ-UHFFFAOYSA-N 1 0 243.310 2.224 20 30 BEEDRO C[C@@H]1CC(=NNCCc2ccccc2F)CN1C ZINC000764721068 585471876 /nfs/dbraw/zinc/47/18/76/585471876.db2.gz HOOBTLOJWFCDEB-LLVKDONJSA-N 1 0 249.333 2.038 20 30 BEEDRO CC[N@@H+]1CCC(=NOCC(F)(F)F)[C@@H](C)C1 ZINC000764845306 585475659 /nfs/dbraw/zinc/47/56/59/585475659.db2.gz SKYPFYIVERZDAH-QMMMGPOBSA-N 1 0 238.253 2.283 20 30 BEEDRO CC#CCCOC(=O)[C@@H](CC)[NH+](CC)CC ZINC000765479673 585487520 /nfs/dbraw/zinc/48/75/20/585487520.db2.gz GZSRLZYNVDIFOA-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO Fc1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765549465 585489662 /nfs/dbraw/zinc/48/96/62/585489662.db2.gz WDGSGERHBSJSSX-CYBMUJFWSA-N 1 0 233.290 2.462 20 30 BEEDRO Fc1cccc(CNN=C2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000765573860 585489905 /nfs/dbraw/zinc/48/99/05/585489905.db2.gz VHXKXKSTGCHRPQ-AWEZNQCLSA-N 1 0 247.317 2.139 20 30 BEEDRO CC[C@@H](C(=O)O[C@@H](C#N)C(C)C)[NH+](CC)CC ZINC000765967084 585493913 /nfs/dbraw/zinc/49/39/13/585493913.db2.gz OAMRAOXWAVSGAW-RYUDHWBXSA-N 1 0 240.347 2.198 20 30 BEEDRO FC(F)C1CC(=NNCC[NH+]2CCCCC2)C1 ZINC000766015689 585496105 /nfs/dbraw/zinc/49/61/05/585496105.db2.gz ALIWOCWKNHITBI-UHFFFAOYSA-N 1 0 245.317 2.093 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)c1ccncc1 ZINC000766020447 585496109 /nfs/dbraw/zinc/49/61/09/585496109.db2.gz PVLGECOCKJIEIP-AEGPPILISA-N 1 0 245.370 2.239 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000766664004 585504792 /nfs/dbraw/zinc/50/47/92/585504792.db2.gz QBPPJJKRKFSVNY-GFCCVEGCSA-N 1 0 217.312 2.463 20 30 BEEDRO C#CCCCOC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000766899425 585509745 /nfs/dbraw/zinc/50/97/45/585509745.db2.gz ROSHNRYOWFPZGS-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[N@@H+](C[C@@H](C)CO)[C@@H]1CCc2ccccc21 ZINC000766896078 585509839 /nfs/dbraw/zinc/50/98/39/585509839.db2.gz PBONUXPGLYMVOU-CZUORRHYSA-N 1 0 243.350 2.238 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1c(C)noc1C ZINC000766896232 585509978 /nfs/dbraw/zinc/50/99/78/585509978.db2.gz YCXYJMSUIYCVHP-UHFFFAOYSA-N 1 0 206.289 2.137 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000766933043 585512238 /nfs/dbraw/zinc/51/22/38/585512238.db2.gz UBGKOAAYERKTLD-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO CCN(CC)c1ccc(C=[NH+]OC)c(O)c1 ZINC000767478362 585521080 /nfs/dbraw/zinc/52/10/80/585521080.db2.gz RSRUHTPMUVNIDT-UHFFFAOYSA-N 1 0 222.288 2.219 20 30 BEEDRO C=CC[N@H+](Cc1nc(C)ccc1O)C(C)C ZINC000768547383 585540093 /nfs/dbraw/zinc/54/00/93/585540093.db2.gz KFAUUHLKBKCOHD-UHFFFAOYSA-N 1 0 220.316 2.492 20 30 BEEDRO COC[C@H](C)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000769534209 585559072 /nfs/dbraw/zinc/55/90/72/585559072.db2.gz SPCYTWHUYIUIGQ-SNVBAGLBSA-N 1 0 238.356 2.334 20 30 BEEDRO C#CC[NH+](CC#C)CCc1ccccc1CC ZINC000769727485 585562640 /nfs/dbraw/zinc/56/26/40/585562640.db2.gz GGWXEZYNQKBUMN-UHFFFAOYSA-N 1 0 225.335 2.360 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)CCC3)C1 ZINC000769944378 585566809 /nfs/dbraw/zinc/56/68/09/585566809.db2.gz MPGKBODIJADZMV-VHSXEESVSA-N 1 0 247.367 2.414 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](C#N)C2)cc1 ZINC000769946368 585566813 /nfs/dbraw/zinc/56/68/13/585566813.db2.gz VNFHWEZDBUVXRD-KBPBESRZSA-N 1 0 225.295 2.340 20 30 BEEDRO COc1cccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1O ZINC000769945117 585566821 /nfs/dbraw/zinc/56/68/21/585566821.db2.gz PICKXXVEBYGVNE-CMPLNLGQSA-N 1 0 246.310 2.183 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000769945222 585566933 /nfs/dbraw/zinc/56/69/33/585566933.db2.gz RLIKTPYNNNOPEE-FZMZJTMJSA-N 1 0 242.322 2.403 20 30 BEEDRO C=CC[C@H]1[N@@H+](CC2OCCO2)CCCC1(C)C ZINC000769953411 585567073 /nfs/dbraw/zinc/56/70/73/585567073.db2.gz LWQZZSSGDKXORU-GFCCVEGCSA-N 1 0 239.359 2.426 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCOc1cccc(C)c1 ZINC000769961163 585567578 /nfs/dbraw/zinc/56/75/78/585567578.db2.gz PCNWMUZWBBMEGX-ZDUSSCGKSA-N 1 0 217.312 2.327 20 30 BEEDRO CC(C)c1nccnc1N=NC1C[C@H](C)[N@H+](C)C1 ZINC000773089861 585631308 /nfs/dbraw/zinc/63/13/08/585631308.db2.gz BYHCBFPZIUKZSN-JTQLQIEISA-N 1 0 247.346 2.092 20 30 BEEDRO C=C(CC)CO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000773176931 585632978 /nfs/dbraw/zinc/63/29/78/585632978.db2.gz BHKAAWNMZICLGZ-UHFFFAOYSA-N 1 0 247.342 2.356 20 30 BEEDRO C#C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCCO1 ZINC000859257720 589023966 /nfs/dbraw/zinc/02/39/66/589023966.db2.gz DKHVQTMXPXKPTM-STQMWFEESA-N 1 0 221.344 2.193 20 30 BEEDRO C[C@H](CC#N)N[NH+]=C1CCCNc2ccccc21 ZINC000774394950 585657303 /nfs/dbraw/zinc/65/73/03/585657303.db2.gz NZLCPEYJOAGVHL-LLVKDONJSA-N 1 0 242.326 2.488 20 30 BEEDRO CCOCCO[NH+]=C(C)c1ccc(N)cc1C ZINC000774415235 585658283 /nfs/dbraw/zinc/65/82/83/585658283.db2.gz NRPZSCTZHFHGSJ-UHFFFAOYSA-N 1 0 236.315 2.354 20 30 BEEDRO C1CCC(ON=C2C[NH+]3CCC2CC3)C1 ZINC000774603442 585661880 /nfs/dbraw/zinc/66/18/80/585661880.db2.gz SYTMIMGDKSPYJX-UHFFFAOYSA-N 1 0 208.305 2.027 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc(F)c1)[C@H]1CCCO1 ZINC000775341364 585676290 /nfs/dbraw/zinc/67/62/90/585676290.db2.gz LXAISJZXDNUWPO-UONOGXRCSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(F)ccc1C)[C@H]1CCCO1 ZINC000775347187 585676369 /nfs/dbraw/zinc/67/63/69/585676369.db2.gz GCSGKYHJUZLPFY-HUUCEWRRSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(F)c(C)c1)[C@H]1CCCO1 ZINC000775351215 585676422 /nfs/dbraw/zinc/67/64/22/585676422.db2.gz SGTCCSPHEJPUNI-LSDHHAIUSA-N 1 0 247.313 2.405 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)c(C)c1)[C@H]1CCCO1 ZINC000775351214 585676624 /nfs/dbraw/zinc/67/66/24/585676624.db2.gz SGTCCSPHEJPUNI-HUUCEWRRSA-N 1 0 247.313 2.405 20 30 BEEDRO C#CC[C@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000775399244 585677527 /nfs/dbraw/zinc/67/75/27/585677527.db2.gz APRGTQAQDHCVCR-AWEZNQCLSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CC[C@@H]([NH2+]CCC(=O)OCC)c1ccccc1 ZINC000775400324 585677722 /nfs/dbraw/zinc/67/77/22/585677722.db2.gz YWZWFTLFEFRMCI-CQSZACIVSA-N 1 0 245.322 2.294 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCc2ccccc21)[C@@H]1CCCO1 ZINC000775572392 585680253 /nfs/dbraw/zinc/68/02/53/585680253.db2.gz ALQBMWKTAVARLQ-XHSDSOJGSA-N 1 0 241.334 2.444 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)Cc1ccsc1)[C@H]1CCCO1 ZINC000775571100 585680352 /nfs/dbraw/zinc/68/03/52/585680352.db2.gz AGCIATRAKLTUFF-FPMFFAJLSA-N 1 0 249.379 2.450 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1CCCO1 ZINC000775572386 585680489 /nfs/dbraw/zinc/68/04/89/585680489.db2.gz ALQBMWKTAVARLQ-HRCADAONSA-N 1 0 241.334 2.444 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(C)(C)C#N)[C@@H]1CCCO1 ZINC000775801743 585685455 /nfs/dbraw/zinc/68/54/55/585685455.db2.gz YUGQHIVQJKEGRT-STQMWFEESA-N 1 0 234.343 2.087 20 30 BEEDRO C#C[C@H]([NH2+]CCc1ccccc1F)[C@@H]1CCCO1 ZINC000776002465 585689197 /nfs/dbraw/zinc/68/91/97/585689197.db2.gz SRKOMYKZMBBAKD-GJZGRUSLSA-N 1 0 247.313 2.139 20 30 BEEDRO C#CCCN1CC[NH+](CCC(C)(C)CC)CC1 ZINC000776594194 585702478 /nfs/dbraw/zinc/70/24/78/585702478.db2.gz YHOVZPNKPLQLDK-UHFFFAOYSA-N 1 0 236.403 2.454 20 30 BEEDRO FC(F)(F)CCON=C1CC[N@@H+]2CCC[C@H]12 ZINC000777455927 585712605 /nfs/dbraw/zinc/71/26/05/585712605.db2.gz OXEQACZSJFGDKX-SECBINFHSA-N 1 0 236.237 2.180 20 30 BEEDRO C#CCCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000777736029 585719270 /nfs/dbraw/zinc/71/92/70/585719270.db2.gz AVWFYZHCGQPZHM-OAHLLOKOSA-N 1 0 247.313 2.132 20 30 BEEDRO COC[C@H](C)N[NH+]=C(C)c1ccccc1N(C)C ZINC000777901592 585723268 /nfs/dbraw/zinc/72/32/68/585723268.db2.gz CSVHEYKXAWJOCP-NSHDSACASA-N 1 0 249.358 2.101 20 30 BEEDRO C#C[C@@H](OC(=O)[C@H](CC)[NH+](CC)CC)C1CC1 ZINC000778691809 585739345 /nfs/dbraw/zinc/73/93/45/585739345.db2.gz DWNIYQXNSFMLNV-QWHCGFSZSA-N 1 0 237.343 2.062 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NO[C@H]2CCCCO2)C1 ZINC000788437898 585740702 /nfs/dbraw/zinc/74/07/02/585740702.db2.gz XBGKZTFZJFEBLH-STQMWFEESA-N 1 0 240.347 2.390 20 30 BEEDRO C[NH+](C)[C@H]1CCCC(=NO[C@@H]2CCCCO2)C1 ZINC000788437897 585740779 /nfs/dbraw/zinc/74/07/79/585740779.db2.gz XBGKZTFZJFEBLH-QWHCGFSZSA-N 1 0 240.347 2.390 20 30 BEEDRO C[C@H]1CNC(NN=CC2CCC(C)(C)CC2)=[NH+]1 ZINC000779793829 585764142 /nfs/dbraw/zinc/76/41/42/585764142.db2.gz APXYWAGXCINYOO-JTQLQIEISA-N 1 0 236.363 2.126 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C#N)cc1F ZINC000781423026 585795909 /nfs/dbraw/zinc/79/59/09/585795909.db2.gz OQMNABVFNABYSD-JQWIXIFHSA-N 1 0 247.317 2.052 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C#N)cc1F ZINC000781423024 585795961 /nfs/dbraw/zinc/79/59/61/585795961.db2.gz OQMNABVFNABYSD-CMPLNLGQSA-N 1 0 247.317 2.052 20 30 BEEDRO CCC#C[C@H](C)[NH+]1CCC(CCCO)CC1 ZINC000782536526 585819900 /nfs/dbraw/zinc/81/99/00/585819900.db2.gz GZYPDNMHKQUWCT-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO CC[C@@H]1CCC[C@@H](C=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000783863834 585845011 /nfs/dbraw/zinc/84/50/11/585845011.db2.gz TVOINDHMYHVAQW-QJPTWQEYSA-N 1 0 236.363 2.126 20 30 BEEDRO Cc1ccnc(NCC[N@H+]2CCC[C@@H]2C)c1C#N ZINC000784163715 585852248 /nfs/dbraw/zinc/85/22/48/585852248.db2.gz VPOJWXNUBJOJDR-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](CCCCCCO)C1 ZINC000784452030 585860197 /nfs/dbraw/zinc/86/01/97/585860197.db2.gz ZHFFABUCOKLVOU-CYBMUJFWSA-N 1 0 224.348 2.165 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000785546042 585875618 /nfs/dbraw/zinc/87/56/18/585875618.db2.gz KREGJEUERMSFRS-INTQDDNPSA-N 1 0 217.740 2.220 20 30 BEEDRO Cc1cc(C[N@@H+]2CC[C@H]3C[C@H]32)ccc1C#N ZINC000785769239 585880216 /nfs/dbraw/zinc/88/02/16/585880216.db2.gz SJYMJKAMQAPYIT-GXTWGEPZSA-N 1 0 212.296 2.461 20 30 BEEDRO CN(C)c1ccncc1C=[NH+]NC1CCCCC1 ZINC000786043778 585886332 /nfs/dbraw/zinc/88/63/32/585886332.db2.gz XMTRPPBGHGLYBO-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](O)c1cccc(F)c1 ZINC000786443218 585891585 /nfs/dbraw/zinc/89/15/85/585891585.db2.gz ICJJRNSUKIHSHE-ZDUSSCGKSA-N 1 0 223.291 2.367 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCc2ccccc2OC1 ZINC000786828237 585897803 /nfs/dbraw/zinc/89/78/03/585897803.db2.gz HLKKAWUYIVTIHT-AWEZNQCLSA-N 1 0 229.323 2.383 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCOCC(F)F ZINC000787250677 585904005 /nfs/dbraw/zinc/90/40/05/585904005.db2.gz GAAVWMLPEKLVJJ-UHFFFAOYSA-N 1 0 234.290 2.140 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC(N=Nc2ccccn2)C1 ZINC000788414775 585922773 /nfs/dbraw/zinc/92/27/73/585922773.db2.gz MNJBNKFUKPKMRI-GFCCVEGCSA-N 1 0 232.331 2.354 20 30 BEEDRO Cc1ccc(N=NC2CCC[C@H]([NH+](C)C)C2)nn1 ZINC000788429296 585923082 /nfs/dbraw/zinc/92/30/82/585923082.db2.gz HKLIZBQDMFFTFP-LBPRGKRZSA-N 1 0 247.346 2.057 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC12CCCC2)[C@@H]1CCCO1 ZINC000788979426 585932758 /nfs/dbraw/zinc/93/27/58/585932758.db2.gz GHUZIPONCAGWKA-IHRRRGAJSA-N 1 0 233.355 2.480 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](COC)Cc1ccccc1 ZINC000789454614 585943066 /nfs/dbraw/zinc/94/30/66/585943066.db2.gz BWFWQLGPQPEBEP-HNNXBMFYSA-N 1 0 231.339 2.199 20 30 BEEDRO Cc1cccnc1N=NC(C)CC[NH+](C)C ZINC000790187709 585959264 /nfs/dbraw/zinc/95/92/64/585959264.db2.gz ZIMJEJDIYBCNNK-UHFFFAOYSA-N 1 0 220.320 2.130 20 30 BEEDRO CC[C@H](C)NN=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000790187512 585960498 /nfs/dbraw/zinc/96/04/98/585960498.db2.gz BZSURMXMKOTCAH-MNOVXSKESA-N 1 0 211.353 2.091 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc2c(c1)COC2 ZINC000792192828 585997230 /nfs/dbraw/zinc/99/72/30/585997230.db2.gz OBDGDQLAGKVYKL-UHFFFAOYSA-N 1 0 247.338 2.351 20 30 BEEDRO C=CCCCOC(=O)c1ccc2c[nH+]cn2c1 ZINC000792545719 586002461 /nfs/dbraw/zinc/00/24/61/586002461.db2.gz GGQFBNBJPYGFRL-UHFFFAOYSA-N 1 0 230.267 2.457 20 30 BEEDRO C[C@@H](N=NC1C[C@@H](C)[N@H+](C)C1)C(C)(C)C ZINC000793110883 586010443 /nfs/dbraw/zinc/01/04/43/586010443.db2.gz CKANNIXKZBIPBD-NXEZZACHSA-N 1 0 211.353 2.091 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793205964 586013883 /nfs/dbraw/zinc/01/38/83/586013883.db2.gz RLQADIUBSRRRDP-SNVBAGLBSA-N 1 0 230.267 2.456 20 30 BEEDRO CC[C@H](CC#N)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793282372 586015888 /nfs/dbraw/zinc/01/58/88/586015888.db2.gz XYCOUTCSYPZJGW-GFCCVEGCSA-N 1 0 243.266 2.183 20 30 BEEDRO CC[C@@H](CC#N)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793282373 586016092 /nfs/dbraw/zinc/01/60/92/586016092.db2.gz XYCOUTCSYPZJGW-LBPRGKRZSA-N 1 0 243.266 2.183 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)CCCC ZINC000794195506 586035025 /nfs/dbraw/zinc/03/50/25/586035025.db2.gz ZVNKTLVWMASGKA-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CC[N@@H+](CCc1cnn(CC)c1)C(C)C ZINC000794549048 586043570 /nfs/dbraw/zinc/04/35/70/586043570.db2.gz BCMPPHOEYUTLPG-UHFFFAOYSA-N 1 0 221.348 2.342 20 30 BEEDRO C=CCN[NH+]=Cc1ccc(N(C)C)c(F)c1 ZINC000794994220 586062839 /nfs/dbraw/zinc/06/28/39/586062839.db2.gz OOOILMWEWZVHEQ-UHFFFAOYSA-N 1 0 221.279 2.001 20 30 BEEDRO C=CCN[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000794998436 586063542 /nfs/dbraw/zinc/06/35/42/586063542.db2.gz KTSFUXFPJGANDA-UHFFFAOYSA-N 1 0 232.331 2.036 20 30 BEEDRO C=CCNN=Cc1cnc(N(CC)CC)s1 ZINC000795003826 586064261 /nfs/dbraw/zinc/06/42/61/586064261.db2.gz RFSAARBHERLMRN-UHFFFAOYSA-N 1 0 238.360 2.099 20 30 BEEDRO COCCCO[NH+]=Cc1c(C)cc(N)cc1C ZINC000795045646 586066767 /nfs/dbraw/zinc/06/67/67/586066767.db2.gz TZVLXMDKBJGQBC-UHFFFAOYSA-N 1 0 236.315 2.273 20 30 BEEDRO CC(C)C1C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000795543603 586084268 /nfs/dbraw/zinc/08/42/68/586084268.db2.gz FCWAMEUUDMOSTQ-OAHLLOKOSA-N 1 0 244.338 2.179 20 30 BEEDRO C=CCC(C)(C)C(=O)OCCC[NH+](C)C ZINC000796455995 586104058 /nfs/dbraw/zinc/10/40/58/586104058.db2.gz WNOVLOJVEOSZST-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO CCCCCCC[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000796576185 586107596 /nfs/dbraw/zinc/10/75/96/586107596.db2.gz VRJLKZPIOIBNKF-KGLIPLIRSA-N 1 0 243.391 2.429 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1 ZINC000798185533 586139080 /nfs/dbraw/zinc/13/90/80/586139080.db2.gz FSQZNKIKJITBHA-OAHLLOKOSA-N 1 0 243.350 2.403 20 30 BEEDRO C=C[C@@H](CC)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798847097 586151199 /nfs/dbraw/zinc/15/11/99/586151199.db2.gz GMSZIJFKAFGUEJ-QWRGUYRKSA-N 1 0 213.321 2.080 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc(Cl)cn1 ZINC000799166685 586163595 /nfs/dbraw/zinc/16/35/95/586163595.db2.gz GZKKLIMWZGIIRI-UHFFFAOYSA-N 1 0 211.696 2.138 20 30 BEEDRO C#CCCCN1[C@H](C)C[N@@H+](CCCC#C)C[C@@H]1C ZINC000799168651 586165010 /nfs/dbraw/zinc/16/50/10/586165010.db2.gz VGVACYJVNXJQNR-IYBDPMFKSA-N 1 0 246.398 2.208 20 30 BEEDRO N#CCCC[N@@H+]1CC[C@@H](c2ccccn2)C1 ZINC000799194224 586166042 /nfs/dbraw/zinc/16/60/42/586166042.db2.gz QQSVDTGKDRYSKA-GFCCVEGCSA-N 1 0 215.300 2.175 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](OCC)C2CC2)C1 ZINC000859335946 589032505 /nfs/dbraw/zinc/03/25/05/589032505.db2.gz IWLMDHJHFIGRLB-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000799716187 586193791 /nfs/dbraw/zinc/19/37/91/586193791.db2.gz MOBVGYJJCDYSAM-MRVWCRGKSA-N 1 0 230.311 2.002 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C1CCC1)[C@H]1CCCO1 ZINC000800982360 586238987 /nfs/dbraw/zinc/23/89/87/586238987.db2.gz HVRMXAATUKNWJZ-BYNSBNAKSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC(OCC)OCC)C1 ZINC000859445877 589037717 /nfs/dbraw/zinc/03/77/17/589037717.db2.gz RMIUHBJLJVTNLE-GFCCVEGCSA-N 1 0 227.348 2.284 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC[C@@H]2COC(C)(C)O2)C1 ZINC000859445927 589037913 /nfs/dbraw/zinc/03/79/13/589037913.db2.gz RQEKJUCTCARGOQ-CHWSQXEVSA-N 1 0 239.359 2.426 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000801918493 586276323 /nfs/dbraw/zinc/27/63/23/586276323.db2.gz PFDQWLZMQXQCMU-NWDGAFQWSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H](c1ccncc1)[N@H+](C)CCO[C@H](C)C#N ZINC000801935959 586279146 /nfs/dbraw/zinc/27/91/46/586279146.db2.gz NQGKBHCWHPPFTP-TZMCWYRMSA-N 1 0 247.342 2.393 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000801937509 586279182 /nfs/dbraw/zinc/27/91/82/586279182.db2.gz OXYBCRQADHDYIS-NEPJUHHUSA-N 1 0 243.310 2.138 20 30 BEEDRO C#CC[C@@H]([NH2+]CCO[C@H](C)C#N)c1ccccc1 ZINC000801937383 586279806 /nfs/dbraw/zinc/27/98/06/586279806.db2.gz LMJABBFQANPEHS-UKRRQHHQSA-N 1 0 242.322 2.269 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000801940051 586280691 /nfs/dbraw/zinc/28/06/91/586280691.db2.gz XTJRVQRSKFNQCH-RFQIPJPRSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)C2(CCC2)C1 ZINC000801940477 586280767 /nfs/dbraw/zinc/28/07/67/586280767.db2.gz NCQARQDIEBKWOW-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000801939043 586281013 /nfs/dbraw/zinc/28/10/13/586281013.db2.gz PHPBEJAAXNQKPW-RDBSUJKOSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)[N@H+](CCO[C@H](C)C#N)CC1CCC1 ZINC000801950915 586282404 /nfs/dbraw/zinc/28/24/04/586282404.db2.gz QEJPBZZALWJXBE-GFCCVEGCSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](CC1CC1)C1CCC1 ZINC000801953222 586283245 /nfs/dbraw/zinc/28/32/45/586283245.db2.gz LOPOINSKEMBZTG-NSHDSACASA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H]1CCC(C)(C)C1 ZINC000801953356 586283456 /nfs/dbraw/zinc/28/34/56/586283456.db2.gz MLZZDFLUHHBXTI-RYUDHWBXSA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)CCC(=[NH+]n1cnnc1)C1CC1 ZINC000802703484 586309812 /nfs/dbraw/zinc/30/98/12/586309812.db2.gz FWIHUBHFSPCNEG-UHFFFAOYSA-N 1 0 206.293 2.328 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)OCCCC#N ZINC000803854429 586377225 /nfs/dbraw/zinc/37/72/25/586377225.db2.gz QNBPVZAVBWTCFE-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO CC[C@@H](C#N)OC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000803855582 586377679 /nfs/dbraw/zinc/37/76/79/586377679.db2.gz JFSAFJIMDLCHCS-NEPJUHHUSA-N 1 0 238.331 2.096 20 30 BEEDRO C=C(C)COC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803855934 586377923 /nfs/dbraw/zinc/37/79/23/586377923.db2.gz KVMSRHPIXHOMBQ-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCC[N@@H+](C)CN1C(=O)[C@@H](C2CC2)[C@H]1C1CC1 ZINC000840056143 586406965 /nfs/dbraw/zinc/40/69/65/586406965.db2.gz YPXQNJKQLRFCCY-UONOGXRCSA-N 1 0 248.370 2.099 20 30 BEEDRO CC(C)=CCO[NH+]=C(N)c1ccc(N(C)C)cc1 ZINC000808252120 586468980 /nfs/dbraw/zinc/46/89/80/586468980.db2.gz HMFTWWFEKKULNH-UHFFFAOYSA-N 1 0 247.342 2.356 20 30 BEEDRO CCC(CC)[N@H+](CC)CCO[C@H](C)C#N ZINC000808782108 586489519 /nfs/dbraw/zinc/48/95/19/586489519.db2.gz FUKDPBNNQHJBMY-LLVKDONJSA-N 1 0 212.337 2.426 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776055 586489532 /nfs/dbraw/zinc/48/95/32/586489532.db2.gz AVNGSFUEPUEGRR-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO CC[N@H+](C[C@H](O)CC#N)[C@@H](C)c1cccc(O)c1 ZINC000809577702 586507673 /nfs/dbraw/zinc/50/76/73/586507673.db2.gz ZVOAQDCQXMDKRI-SMDDNHRTSA-N 1 0 248.326 2.050 20 30 BEEDRO C[C@H]1CC[N@H+](C[C@H](O)CC#N)[C@@H](c2ccco2)C1 ZINC000809576996 586508055 /nfs/dbraw/zinc/50/80/55/586508055.db2.gz ITAFXRHAZVZGPC-YNEHKIRRSA-N 1 0 248.326 2.327 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2cccn2C)cc1 ZINC000809622744 586509391 /nfs/dbraw/zinc/50/93/91/586509391.db2.gz MMTQPGLCZGCZLH-UHFFFAOYSA-N 1 0 224.307 2.296 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000809684189 586512077 /nfs/dbraw/zinc/51/20/77/586512077.db2.gz QQQFOGUKZARFEN-STQMWFEESA-N 1 0 244.338 2.323 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000809684329 586512356 /nfs/dbraw/zinc/51/23/56/586512356.db2.gz YROLZQAKKHZENC-ZDUSSCGKSA-N 1 0 242.322 2.480 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1C ZINC000809683662 586512432 /nfs/dbraw/zinc/51/24/32/586512432.db2.gz JEIDAUOSUHVBFJ-LLVKDONJSA-N 1 0 233.311 2.124 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000809698308 586513206 /nfs/dbraw/zinc/51/32/06/586513206.db2.gz YDXGXGZXSUVNAV-CQSZACIVSA-N 1 0 242.366 2.194 20 30 BEEDRO C#CCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000809992039 586529195 /nfs/dbraw/zinc/52/91/95/586529195.db2.gz QWCDSNNWZGABIB-CQSZACIVSA-N 1 0 231.339 2.359 20 30 BEEDRO C=C(C)COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810538126 586540367 /nfs/dbraw/zinc/54/03/67/586540367.db2.gz VYAMLJLPVVVJRH-ZDUSSCGKSA-N 1 0 243.322 2.318 20 30 BEEDRO C#CCON=C1CCCC[C@@H]1[NH+]1CCCCC1 ZINC000812232254 586570993 /nfs/dbraw/zinc/57/09/93/586570993.db2.gz ACCZQPXIYINSHP-AWEZNQCLSA-N 1 0 234.343 2.421 20 30 BEEDRO CC(C)OCCON=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000812240086 586572262 /nfs/dbraw/zinc/57/22/62/586572262.db2.gz IETLTQATOJKYNX-LBPRGKRZSA-N 1 0 242.363 2.144 20 30 BEEDRO C#CCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1 ZINC000813858438 586608323 /nfs/dbraw/zinc/60/83/23/586608323.db2.gz ZOMGDSCRBOSIEI-ZDUSSCGKSA-N 1 0 246.358 2.429 20 30 BEEDRO Cc1ccc(C)c([N-][NH+]=Cc2cn(C)[nH]c2=O)c1 ZINC000814215279 586617778 /nfs/dbraw/zinc/61/77/78/586617778.db2.gz NLNRUGMZPKKHKH-UHFFFAOYSA-N 1 0 244.298 2.189 20 30 BEEDRO C(CC1CC1)ON=C1CC[N@@H+]2CCC[C@H]12 ZINC000814245442 586620289 /nfs/dbraw/zinc/62/02/89/586620289.db2.gz ZZZISTKUCUEFSE-GFCCVEGCSA-N 1 0 208.305 2.027 20 30 BEEDRO CC[C@H](C=[NH+]n1cnnc1)c1ccccc1 ZINC000814682672 586629014 /nfs/dbraw/zinc/62/90/14/586629014.db2.gz MWCKQDNGZXZYGN-LLVKDONJSA-N 1 0 214.272 2.306 20 30 BEEDRO CC(=NNCc1ccccc1)C1CC[NH+](C)CC1 ZINC000814751371 586631871 /nfs/dbraw/zinc/63/18/71/586631871.db2.gz KDTHSQCESLPQCN-UHFFFAOYSA-N 1 0 245.370 2.494 20 30 BEEDRO C=CCN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814928065 586652896 /nfs/dbraw/zinc/65/28/96/586652896.db2.gz UIOOTFLQFAHRLT-JTQLQIEISA-N 1 0 227.311 2.469 20 30 BEEDRO CC(=NOC/C=C/Cl)C1CC[NH+](C)CC1 ZINC000814934054 586654191 /nfs/dbraw/zinc/65/41/91/586654191.db2.gz JUJUUHXTBSSOPW-ICLKGUNZSA-N 1 0 230.739 2.473 20 30 BEEDRO Cc1cccc2c1CC[N@H+](CCOCCC#N)C2 ZINC000815034911 586664401 /nfs/dbraw/zinc/66/44/01/586664401.db2.gz GGSLCOXMLFQIES-UHFFFAOYSA-N 1 0 244.338 2.283 20 30 BEEDRO C#CC[N@@H+](CCOCC=C)C1CCCCC1 ZINC000815028321 586664585 /nfs/dbraw/zinc/66/45/85/586664585.db2.gz XSAZVSIZLBYXCE-UHFFFAOYSA-N 1 0 221.344 2.457 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000815229277 586674600 /nfs/dbraw/zinc/67/46/00/586674600.db2.gz BNRWDRBZDSSOSZ-AWEZNQCLSA-N 1 0 223.360 2.130 20 30 BEEDRO C=CCC(F)(F)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000815295944 586677777 /nfs/dbraw/zinc/67/77/77/586677777.db2.gz WKMIGTLRAPSKJW-JTQLQIEISA-N 1 0 248.317 2.044 20 30 BEEDRO C#CCC[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000817287330 586793319 /nfs/dbraw/zinc/79/33/19/586793319.db2.gz MRKFPANFOIMVKX-UHFFFAOYSA-N 1 0 209.333 2.288 20 30 BEEDRO C#CCOc1ccc([C@@H](C)NCC(C)(C)[NH3+])cc1 ZINC000817960972 586851756 /nfs/dbraw/zinc/85/17/56/586851756.db2.gz VJRFIVWVHRBCBE-GFCCVEGCSA-N 1 0 246.354 2.087 20 30 BEEDRO C#CCCC[N@H+]1CCc2c(O)cccc2C1 ZINC000859946641 589071969 /nfs/dbraw/zinc/07/19/69/589071969.db2.gz LQTZWEAVTUUTPS-UHFFFAOYSA-N 1 0 215.296 2.164 20 30 BEEDRO C#CCCC[N@@H+]1Cc2cccc(OC)c2C1 ZINC000859938915 589071976 /nfs/dbraw/zinc/07/19/76/589071976.db2.gz BSUKLBLDJNAPEY-UHFFFAOYSA-N 1 0 215.296 2.424 20 30 BEEDRO Cc1nc(F)ccc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818230447 586880789 /nfs/dbraw/zinc/88/07/89/586880789.db2.gz INTLMUZFMYFWFG-CMPLNLGQSA-N 1 0 233.290 2.311 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000818356773 586888948 /nfs/dbraw/zinc/88/89/48/586888948.db2.gz QXXANDAZLSMQSZ-ZDEQEGDKSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CC1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000818477988 586894507 /nfs/dbraw/zinc/89/45/07/586894507.db2.gz UVSZJEUDOGHGMA-UHFFFAOYSA-N 1 0 244.338 2.184 20 30 BEEDRO C=CC[C@H]([NH2+]C[C@@H](O)CC)c1ccncc1 ZINC000819073574 586928956 /nfs/dbraw/zinc/92/89/56/586928956.db2.gz GNAXUKBHFLLLQN-STQMWFEESA-N 1 0 220.316 2.059 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1ccccc1C ZINC000819116648 586931443 /nfs/dbraw/zinc/93/14/43/586931443.db2.gz WKIKFSUWMYMGFU-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000819161247 586934629 /nfs/dbraw/zinc/93/46/29/586934629.db2.gz CXQIABWAZFTBDA-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819212535 586939499 /nfs/dbraw/zinc/93/94/99/586939499.db2.gz CXCYKHYWWATDRX-HNNXBMFYSA-N 1 0 231.339 2.340 20 30 BEEDRO C=CCCCC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819237783 586942079 /nfs/dbraw/zinc/94/20/79/586942079.db2.gz NUSWDENSOUPUOO-CYBMUJFWSA-N 1 0 238.306 2.200 20 30 BEEDRO Cc1ccc([C@H](O)C[NH2+]CC2(C#N)CCC2)cc1 ZINC000819376630 586958488 /nfs/dbraw/zinc/95/84/88/586958488.db2.gz DSMRCEKMRFBAIU-CQSZACIVSA-N 1 0 244.338 2.312 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)c2cccc(F)c2)C1 ZINC000819384410 586959900 /nfs/dbraw/zinc/95/99/00/586959900.db2.gz YRYNRWHVTVPLDE-ZLKJLUDKSA-N 1 0 248.301 2.141 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1ccns1 ZINC000860061193 589077963 /nfs/dbraw/zinc/07/79/63/589077963.db2.gz HMQLNTCAFUWGDS-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO Nc1cnccc1C=[NH+]OC1CCCCC1 ZINC000819809191 586996529 /nfs/dbraw/zinc/99/65/29/586996529.db2.gz AZHWIQBGKCDWDM-UHFFFAOYSA-N 1 0 219.288 2.347 20 30 BEEDRO C=CCCCCCN(C)C(=O)C[NH+]1CCCC1 ZINC000820189451 587033195 /nfs/dbraw/zinc/03/31/95/587033195.db2.gz ZJJCILLKYFSUHN-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000820557900 587054235 /nfs/dbraw/zinc/05/42/35/587054235.db2.gz IXLZVTZRMRBGKT-XQQFMLRXSA-N 1 0 238.375 2.140 20 30 BEEDRO C#CCCCOc1cccnc1NCC ZINC000820599086 587058189 /nfs/dbraw/zinc/05/81/89/587058189.db2.gz OKFBZFNAJXPJBE-UHFFFAOYSA-N 1 0 204.273 2.306 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](C)C[C@@H]1CC ZINC000820728608 587068970 /nfs/dbraw/zinc/06/89/70/587068970.db2.gz NNFRPEPOPAUMES-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cc(OC)no1 ZINC000820821178 587075092 /nfs/dbraw/zinc/07/50/92/587075092.db2.gz CWEBAJBTIRRDDR-JTQLQIEISA-N 1 0 222.288 2.137 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C/C(C)=C/c1ccccc1 ZINC000821207280 587101408 /nfs/dbraw/zinc/10/14/08/587101408.db2.gz NFRGQDAHWZTPAI-NRMKIYEFSA-N 1 0 229.323 2.064 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H](C/C=C/C)C1 ZINC000860185666 589087756 /nfs/dbraw/zinc/08/77/56/589087756.db2.gz RTKGTKJGKLAIAV-LYKUJDHUSA-N 1 0 221.344 2.314 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC(C(F)F)C1 ZINC000822493939 587171777 /nfs/dbraw/zinc/17/17/77/587171777.db2.gz CCJGIJGMFBZJNS-PMUOWJKOSA-N 1 0 231.286 2.211 20 30 BEEDRO C=CCC(C)(C)c1noc(CC[C@H](C)[NH3+])n1 ZINC000823248030 587211419 /nfs/dbraw/zinc/21/14/19/587211419.db2.gz MVOXXLVORWHGBT-VIFPVBQESA-N 1 0 223.320 2.203 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2CC[NH2+][C@@H]2C)n1 ZINC000823248509 587211524 /nfs/dbraw/zinc/21/15/24/587211524.db2.gz QNSUERQKMUYVFK-ZJUUUORDSA-N 1 0 235.331 2.389 20 30 BEEDRO C=CCCc1noc([C@@H]2CC[NH2+][C@@H]2CC)n1 ZINC000823264402 587212344 /nfs/dbraw/zinc/21/23/44/587212344.db2.gz SHLYGTDKLUJJGY-NXEZZACHSA-N 1 0 221.304 2.044 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCS(=O)(=O)CC ZINC000823778047 587240116 /nfs/dbraw/zinc/24/01/16/587240116.db2.gz KTWJVFXPIRQPIH-LBPRGKRZSA-N 1 0 247.404 2.146 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000823899630 587245472 /nfs/dbraw/zinc/24/54/72/587245472.db2.gz ZVXRFLAGXZPNKY-JTQLQIEISA-N 1 0 243.314 2.093 20 30 BEEDRO C=C(C)CN(C)Cc1cc(F)ncc1F ZINC000824114429 587256603 /nfs/dbraw/zinc/25/66/03/587256603.db2.gz VNSJOBCMNQOHGX-UHFFFAOYSA-N 1 0 212.243 2.368 20 30 BEEDRO C#C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H]1CCCO1 ZINC000824195321 587259835 /nfs/dbraw/zinc/25/98/35/587259835.db2.gz AWEXPIQGSURBSC-PIOWNMBXSA-N 1 0 246.354 2.229 20 30 BEEDRO C=C[C@H]1CCCCN1Cc1nn(CC)nc1C ZINC000824302033 587265347 /nfs/dbraw/zinc/26/53/47/587265347.db2.gz LQJZDFSZJUKHHY-LBPRGKRZSA-N 1 0 234.347 2.147 20 30 BEEDRO C=C[C@@H]1CCCCN1Cc1nn(CC)nc1C ZINC000824302032 587265508 /nfs/dbraw/zinc/26/55/08/587265508.db2.gz LQJZDFSZJUKHHY-GFCCVEGCSA-N 1 0 234.347 2.147 20 30 BEEDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000824690358 587282883 /nfs/dbraw/zinc/28/28/83/587282883.db2.gz AYRYCSFARYDTKT-RQJABVFESA-N 1 0 236.359 2.473 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000824958242 587295075 /nfs/dbraw/zinc/29/50/75/587295075.db2.gz TUUCYDKKJKTIMR-NWDGAFQWSA-N 1 0 226.364 2.045 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC2(CC)COC2)cc1 ZINC000825078972 587302736 /nfs/dbraw/zinc/30/27/36/587302736.db2.gz HYSJIOCPPUMYOG-UHFFFAOYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC(C)(C)COC)c1 ZINC000825226612 587310367 /nfs/dbraw/zinc/31/03/67/587310367.db2.gz KXHPFGFYHJZUTN-UHFFFAOYSA-N 1 0 231.339 2.430 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c1 ZINC000825227629 587310506 /nfs/dbraw/zinc/31/05/06/587310506.db2.gz VVXMBHFAHDTGLF-SLEUVZQESA-N 1 0 229.323 2.323 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000825625114 587327769 /nfs/dbraw/zinc/32/77/69/587327769.db2.gz GNEIWJUVSNFGDG-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000825625111 587327800 /nfs/dbraw/zinc/32/78/00/587327800.db2.gz GNEIWJUVSNFGDG-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(C2CCC2)cnn1C)C(C)C ZINC000825878370 587343357 /nfs/dbraw/zinc/34/33/57/587343357.db2.gz LJQLWZYERULYCH-CQSZACIVSA-N 1 0 245.370 2.435 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(O[C@H](C)COC)cc1 ZINC000825878342 587343549 /nfs/dbraw/zinc/34/35/49/587343549.db2.gz KBXCCLUJCCUJTP-CHWSQXEVSA-N 1 0 247.338 2.212 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1CC1CC1)C(C)(C)C ZINC000825940219 587346548 /nfs/dbraw/zinc/34/65/48/587346548.db2.gz PWIGIKSOMQSRSM-CQSZACIVSA-N 1 0 245.370 2.431 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccnn2CCC)C1 ZINC000826535089 587354150 /nfs/dbraw/zinc/35/41/50/587354150.db2.gz SARVQHGRWIHAEE-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1C[C@@H](C)[NH2+][C@@H](CC)C1 ZINC000826679223 587358976 /nfs/dbraw/zinc/35/89/76/587358976.db2.gz XNRULFKBTGLZRE-UPJWGTAASA-N 1 0 238.375 2.188 20 30 BEEDRO C#CC1CCN(c2cc[nH+]cc2C)CC1 ZINC000826709997 587359659 /nfs/dbraw/zinc/35/96/59/587359659.db2.gz CYWDFJKPQFDHPQ-UHFFFAOYSA-N 1 0 200.285 2.240 20 30 BEEDRO CCOc1ccc(C[NH+]2CC(CC#N)C2)c(O)c1 ZINC000826990558 587367376 /nfs/dbraw/zinc/36/73/76/587367376.db2.gz IXSNUZOXCPYBKU-UHFFFAOYSA-N 1 0 246.310 2.136 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CC[C@@H]2C)CCOCC1 ZINC000827147614 587371122 /nfs/dbraw/zinc/37/11/22/587371122.db2.gz TXRUTCKDLGXOIO-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccoc1)C1CCOCC1 ZINC000827554369 587387615 /nfs/dbraw/zinc/38/76/15/587387615.db2.gz CZZGSLIIWFKUNX-IUODEOHRSA-N 1 0 247.338 2.229 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)C1CCOCC1 ZINC000827555262 587387691 /nfs/dbraw/zinc/38/76/91/587387691.db2.gz QSWQMFDYZHHEJX-UVLXDEKHSA-N 1 0 221.344 2.049 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)C1CCOCC1 ZINC000827554903 587387708 /nfs/dbraw/zinc/38/77/08/587387708.db2.gz KZSZANILFUPCIA-BARDWOONSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1CCCC12CC2)C1CCOCC1 ZINC000827555495 587388144 /nfs/dbraw/zinc/38/81/44/587388144.db2.gz VFFCMCUUKIHQLF-KGLIPLIRSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H]1CC=CCC1)C1CCOCC1 ZINC000827565470 587388773 /nfs/dbraw/zinc/38/87/73/587388773.db2.gz MGRGENLXAWRPSZ-ZFWWWQNUSA-N 1 0 233.355 2.361 20 30 BEEDRO C#C[C@@H]([NH2+]CC(C)(C)CCC#N)C1CCOCC1 ZINC000827571185 587389441 /nfs/dbraw/zinc/38/94/41/587389441.db2.gz VZPTWZCGQAVGJS-CQSZACIVSA-N 1 0 248.370 2.334 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1 ZINC000827602895 587391725 /nfs/dbraw/zinc/39/17/25/587391725.db2.gz YDVJGTZIYMBLPA-CVEARBPZSA-N 1 0 241.334 2.136 20 30 BEEDRO C#CCN(Cc1ccncc1C#N)C1CCCC1 ZINC000827989944 587415593 /nfs/dbraw/zinc/41/55/93/587415593.db2.gz DJANZMAZCIRVLA-UHFFFAOYSA-N 1 0 239.322 2.331 20 30 BEEDRO N#Cc1cnccc1C[N@@H+]1CCCC12CCC2 ZINC000828434280 587442139 /nfs/dbraw/zinc/44/21/39/587442139.db2.gz SRJCWPNTAHZWCJ-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO C=CC[C@@H]1[N@H+](CC[S@@](C)=O)CCCC1(C)C ZINC000829283974 587491156 /nfs/dbraw/zinc/49/11/56/587491156.db2.gz XAKXYRVMLWXHCL-BLLLJJGKSA-N 1 0 243.416 2.432 20 30 BEEDRO C#CCCC[N@@H+](C)C[C@]1(O)CCc2ccccc21 ZINC000829365600 587494329 /nfs/dbraw/zinc/49/43/29/587494329.db2.gz JAZJSNQGPBSRCQ-MRXNPFEDSA-N 1 0 243.350 2.166 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000829532950 587502399 /nfs/dbraw/zinc/50/23/99/587502399.db2.gz HOHIBILXCVZCSD-INIZCTEOSA-N 1 0 243.350 2.283 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1 ZINC000829778320 587514955 /nfs/dbraw/zinc/51/49/55/587514955.db2.gz BDKASZWOMGFWHB-LLVKDONJSA-N 1 0 249.276 2.301 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCc2ccncc2)C1 ZINC000829773874 587515389 /nfs/dbraw/zinc/51/53/89/587515389.db2.gz KLBHBINOICJNMT-HNNXBMFYSA-N 1 0 228.339 2.359 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](CC)C(=O)OCC)C1 ZINC000829783709 587515555 /nfs/dbraw/zinc/51/55/55/587515555.db2.gz AXYLJSNKKDLJFQ-STQMWFEESA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](CCCOCC)C1 ZINC000829783681 587515610 /nfs/dbraw/zinc/51/56/10/587515610.db2.gz AFXWMVUMBZWVMM-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](CC)C(=O)OCC)C1 ZINC000829783708 587515640 /nfs/dbraw/zinc/51/56/40/587515640.db2.gz AXYLJSNKKDLJFQ-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cccc(OC)n2)C1 ZINC000829783826 587515869 /nfs/dbraw/zinc/51/58/69/587515869.db2.gz CHGMHTUGLAMSNS-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCSCC)C1 ZINC000829785137 587516605 /nfs/dbraw/zinc/51/66/05/587516605.db2.gz REIVAEBKTNRJBE-GFCCVEGCSA-N 1 0 211.374 2.475 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(OC)nc2)C1 ZINC000829789443 587516700 /nfs/dbraw/zinc/51/67/00/587516700.db2.gz WFPMBXBMQOQAMW-ZDUSSCGKSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000829806138 587517905 /nfs/dbraw/zinc/51/79/05/587517905.db2.gz ZUWMDQLRGOOVLY-ZDUSSCGKSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000829809756 587518301 /nfs/dbraw/zinc/51/83/01/587518301.db2.gz GPUINUCCHOYZLY-WDEREUQCSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000829810645 587518469 /nfs/dbraw/zinc/51/84/69/587518469.db2.gz SNTVOZWJIRNALJ-LBPRGKRZSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C)O2)C1 ZINC000829810221 587518491 /nfs/dbraw/zinc/51/84/91/587518491.db2.gz NANUPDQUTYCFMH-MJBXVCDLSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCc2cncs2)C1 ZINC000829815275 587519874 /nfs/dbraw/zinc/51/98/74/587519874.db2.gz IOWRHZFLIIFUQA-GFCCVEGCSA-N 1 0 234.368 2.421 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CCOC2CCC2)C1 ZINC000829815880 587519903 /nfs/dbraw/zinc/51/99/03/587519903.db2.gz VFPVZQOLUVSBRN-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000829815218 587519933 /nfs/dbraw/zinc/51/99/33/587519933.db2.gz HKQLBBAJNHTKAF-MNOVXSKESA-N 1 0 249.276 2.035 20 30 BEEDRO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(CF)cc2)C1 ZINC000829992320 587531146 /nfs/dbraw/zinc/53/11/46/587531146.db2.gz UWVGTJUWNKCXPB-CQSZACIVSA-N 1 0 248.301 2.007 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000830038306 587532603 /nfs/dbraw/zinc/53/26/03/587532603.db2.gz AUCNDAJCNAXKLR-WDEREUQCSA-N 1 0 244.766 2.153 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(OCC)cn2)CC1 ZINC000830329768 587546366 /nfs/dbraw/zinc/54/63/66/587546366.db2.gz GCWOZBSKMVNWGI-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC1CC[NH+](CCc2csc(C)n2)CC1 ZINC000830345842 587547096 /nfs/dbraw/zinc/54/70/96/587547096.db2.gz VKIVZFINKOUZHX-UHFFFAOYSA-N 1 0 234.368 2.339 20 30 BEEDRO C#CCCC[NH2+][C@H](CCO)c1ccccc1F ZINC000830355325 587547641 /nfs/dbraw/zinc/54/76/41/587547641.db2.gz GMRUKDBJGNKRAE-CQSZACIVSA-N 1 0 235.302 2.252 20 30 BEEDRO C#CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000830489917 587554719 /nfs/dbraw/zinc/55/47/19/587554719.db2.gz NPCXQDWUOHGUFU-HNNXBMFYSA-N 1 0 241.334 2.279 20 30 BEEDRO C#CCCC[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000830518553 587555709 /nfs/dbraw/zinc/55/57/09/587555709.db2.gz WMNQDBNWARJQKC-CQSZACIVSA-N 1 0 235.371 2.343 20 30 BEEDRO C=C1CCC(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000831002334 587581736 /nfs/dbraw/zinc/58/17/36/587581736.db2.gz YIDTZIRTWXDSGW-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000831403771 587604148 /nfs/dbraw/zinc/60/41/48/587604148.db2.gz DXJAYELNKQTGNE-UONOGXRCSA-N 1 0 229.323 2.455 20 30 BEEDRO C=C(Cl)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000831539724 587617789 /nfs/dbraw/zinc/61/77/89/587617789.db2.gz VNDMXGRKCVVIIQ-SNVBAGLBSA-N 1 0 217.740 2.486 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(Cl)=C\Cl ZINC000831683397 587627678 /nfs/dbraw/zinc/62/76/78/587627678.db2.gz RDNLPXJWDVBCQC-FQDVODHFSA-N 1 0 222.115 2.239 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)c1ccccc1 ZINC000831830604 587633593 /nfs/dbraw/zinc/63/35/93/587633593.db2.gz XWKISKOQAKUWFA-ILXRZTDVSA-N 1 0 247.338 2.043 20 30 BEEDRO C=CCCCC(=O)Nc1cccc(C[NH3+])c1 ZINC000832222662 587651290 /nfs/dbraw/zinc/65/12/90/587651290.db2.gz GFRVPASLTCCPPA-UHFFFAOYSA-N 1 0 218.300 2.440 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000832722398 587679926 /nfs/dbraw/zinc/67/99/26/587679926.db2.gz ZVVJIGCKPWFYKT-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCCC[N@H+]1CCC[C@@H](COC)CC1 ZINC000832744168 587682375 /nfs/dbraw/zinc/68/23/75/587682375.db2.gz CLWAQZLPJGUARV-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834701779 587764620 /nfs/dbraw/zinc/76/46/20/587764620.db2.gz GCARNDOROOQFAK-WCQYABFASA-N 1 0 247.338 2.154 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)c1ccncc1)[C@H]1CCCO1 ZINC000834769185 587766475 /nfs/dbraw/zinc/76/64/75/587766475.db2.gz JGJPBVWLQSKHSO-QLFBSQMISA-N 1 0 244.338 2.303 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000834814400 587767363 /nfs/dbraw/zinc/76/73/63/587767363.db2.gz KFDCGYDADYZLQV-MRXNPFEDSA-N 1 0 248.414 2.500 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1cc(C)nn1C ZINC000834881834 587769325 /nfs/dbraw/zinc/76/93/25/587769325.db2.gz BPSIWRFNMUCYPT-NSHDSACASA-N 1 0 207.321 2.345 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834888530 587769752 /nfs/dbraw/zinc/76/97/52/587769752.db2.gz NYHZJOAFJFTGTB-BZPMIXESSA-N 1 0 245.322 2.313 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](COC)C2CC2)c1 ZINC000834902216 587769832 /nfs/dbraw/zinc/76/98/32/587769832.db2.gz FPVUXHMEVLZAFK-OAHLLOKOSA-N 1 0 229.323 2.183 20 30 BEEDRO CO[NH+]=C/C=C/c1ccc(N(C)C)cc1 ZINC000834938328 587771853 /nfs/dbraw/zinc/77/18/53/587771853.db2.gz HPJYYPBGHHUSSG-JGFQJBNPSA-N 1 0 204.273 2.398 20 30 BEEDRO C[C@H](C#N)CN[NH+]=C1CCCc2cc(N)ccc21 ZINC000834964849 587773239 /nfs/dbraw/zinc/77/32/39/587773239.db2.gz HKYWWOZMOKQCSK-SNVBAGLBSA-N 1 0 242.326 2.058 20 30 BEEDRO Cc1ccc[nH+]c1NNC=C1CC1(F)F ZINC000834973882 587775033 /nfs/dbraw/zinc/77/50/33/587775033.db2.gz RZLXXMDOUNEHDR-QMMMGPOBSA-N 1 0 211.215 2.443 20 30 BEEDRO C[N@@H+]1CCCC(N=NCc2ccccc2F)CC1 ZINC000835011960 587777708 /nfs/dbraw/zinc/77/77/08/587777708.db2.gz SBNXAOGKZYPQBW-UHFFFAOYSA-N 1 0 249.333 2.387 20 30 BEEDRO C=CCON=C1CC[NH+](C(C)(C)C)CC1 ZINC000835015704 587778437 /nfs/dbraw/zinc/77/84/37/587778437.db2.gz MYFCYYGTTOXZHX-UHFFFAOYSA-N 1 0 210.321 2.439 20 30 BEEDRO C=C(CC)CNC(=O)CCCC[NH+]1CCCC1 ZINC000837100312 587854081 /nfs/dbraw/zinc/85/40/81/587854081.db2.gz BPCNNDDVPBJQLD-UHFFFAOYSA-N 1 0 238.375 2.335 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@]1(C)CCCC[C@H]1C ZINC000837253745 587861605 /nfs/dbraw/zinc/86/16/05/587861605.db2.gz LQDXXESPUYTVGU-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)OCC[NH+]1CCCCC1 ZINC000837861915 587900803 /nfs/dbraw/zinc/90/08/03/587900803.db2.gz INKLFSBDJUERRT-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C#CCOCC[NH2+][C@H](CC)[C@@H]1CC1(C)C ZINC000840745735 587919510 /nfs/dbraw/zinc/91/95/10/587919510.db2.gz OLYUIFZOJWDNCB-NWDGAFQWSA-N 1 0 209.333 2.051 20 30 BEEDRO N#Cc1csc(CNc2[nH+]ccn2C2CC2)n1 ZINC000840886319 587927989 /nfs/dbraw/zinc/92/79/89/587927989.db2.gz BXDODDGBSGXIHL-UHFFFAOYSA-N 1 0 245.311 2.158 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840944902 587931191 /nfs/dbraw/zinc/93/11/91/587931191.db2.gz KCJXTSYNMIERED-VIFPVBQESA-N 1 0 223.703 2.465 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000840945043 587931407 /nfs/dbraw/zinc/93/14/07/587931407.db2.gz WLLJBPDMDKHDJX-MRVPVSSYSA-N 1 0 239.221 2.119 20 30 BEEDRO COC[C@@H](C)N[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841630491 587961773 /nfs/dbraw/zinc/96/17/73/587961773.db2.gz GRZWFYANPQJQDD-GFCCVEGCSA-N 1 0 249.358 2.019 20 30 BEEDRO CCCC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CC1(C)C ZINC000841634599 587963327 /nfs/dbraw/zinc/96/33/27/587963327.db2.gz VDNZPMZCDLCPJF-NXEZZACHSA-N 1 0 236.363 2.126 20 30 BEEDRO CCCCCCCCCNC(=O)N[C@H](C)C[NH3+] ZINC000841658583 587968909 /nfs/dbraw/zinc/96/89/09/587968909.db2.gz BHEWDZCPAUVOLO-GFCCVEGCSA-N 1 0 243.395 2.383 20 30 BEEDRO C=CCCCCCCNC(=O)NCC(C)(C)[NH3+] ZINC000841903531 587982813 /nfs/dbraw/zinc/98/28/13/587982813.db2.gz WJHZQTJFFWRHJD-UHFFFAOYSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CCCCCCCCNC(=O)N[C@@H](C)C[NH3+] ZINC000841903843 587983037 /nfs/dbraw/zinc/98/30/37/587983037.db2.gz ASSDPVWLYJZCCH-LBPRGKRZSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CCN(C(=O)N[C@H](C[NH3+])CCCC)C(C)C ZINC000841957137 587986833 /nfs/dbraw/zinc/98/68/33/587986833.db2.gz FBPXSPLPFXHNJH-LBPRGKRZSA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCN(C(=O)N[C@@H](C)CCCC[NH3+])C(C)C ZINC000841997035 587988427 /nfs/dbraw/zinc/98/84/27/587988427.db2.gz VSAGXIBJFNQTHJ-LBPRGKRZSA-N 1 0 241.379 2.110 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000842153836 588004072 /nfs/dbraw/zinc/00/40/72/588004072.db2.gz QKMALISVROCRFB-AWEZNQCLSA-N 1 0 230.311 2.100 20 30 BEEDRO C#CCC(C)(C)c1nc([C@@H]([NH3+])CC(C)C)no1 ZINC000842585482 588044155 /nfs/dbraw/zinc/04/41/55/588044155.db2.gz ASNJMVICCJIFIR-JTQLQIEISA-N 1 0 235.331 2.416 20 30 BEEDRO C=CC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccncc1 ZINC000842681920 588052405 /nfs/dbraw/zinc/05/24/05/588052405.db2.gz VBGQWTQJTZKQAH-UBHSHLNASA-N 1 0 232.327 2.466 20 30 BEEDRO C[C@@H](C[C@H](O)c1cccs1)[NH2+]CCC#N ZINC000843108347 588081504 /nfs/dbraw/zinc/08/15/04/588081504.db2.gz SEVDLURAGNATBD-UWVGGRQHSA-N 1 0 224.329 2.063 20 30 BEEDRO C=C[C@@H](Cc1nc(CC[NH3+])no1)c1ccccc1 ZINC000843129687 588085488 /nfs/dbraw/zinc/08/54/88/588085488.db2.gz ZUFKWLMKUHDMJV-NSHDSACASA-N 1 0 243.310 2.083 20 30 BEEDRO C=CCC(C)(C)c1noc(C[C@@H]([NH3+])C2CC2)n1 ZINC000843233840 588094134 /nfs/dbraw/zinc/09/41/34/588094134.db2.gz CFKQJDVCOSOMNJ-SNVBAGLBSA-N 1 0 235.331 2.203 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H](C)C[NH2+]C)n1 ZINC000843233870 588094344 /nfs/dbraw/zinc/09/43/44/588094344.db2.gz DPKMNQGPIBGFBZ-VIFPVBQESA-N 1 0 223.320 2.246 20 30 BEEDRO C=CCOc1ccc(CN(C)C[C@H](C)[NH3+])cc1 ZINC000843356725 588103888 /nfs/dbraw/zinc/10/38/88/588103888.db2.gz XGMGHRURKBDYGP-LBPRGKRZSA-N 1 0 234.343 2.030 20 30 BEEDRO CCCCCCCN1CC[NH2+]C[C@@H]1C(F)F ZINC000843385768 588105611 /nfs/dbraw/zinc/10/56/11/588105611.db2.gz RIHXHMPVANGWKG-LLVKDONJSA-N 1 0 234.334 2.496 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccnn1CC(C)C ZINC000843409225 588106781 /nfs/dbraw/zinc/10/67/81/588106781.db2.gz PXEHEOAJRZEZHT-LBPRGKRZSA-N 1 0 219.332 2.041 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnn(C=C)c2)C1 ZINC000843422918 588107675 /nfs/dbraw/zinc/10/76/75/588107675.db2.gz JFWYPTPAABCTLC-ZDUSSCGKSA-N 1 0 229.327 2.219 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cncn2CC)C1 ZINC000843423357 588107971 /nfs/dbraw/zinc/10/79/71/588107971.db2.gz MQBGZHHJTCGBJK-CYBMUJFWSA-N 1 0 231.343 2.138 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cnc(CC)nc2)C1 ZINC000843422598 588107995 /nfs/dbraw/zinc/10/79/95/588107995.db2.gz GXECLYDZHNNNPJ-ZDUSSCGKSA-N 1 0 243.354 2.274 20 30 BEEDRO C#CC[C@@H]1CCC[N@H+](CC2=CCCOC2)C1 ZINC000843423696 588108063 /nfs/dbraw/zinc/10/80/63/588108063.db2.gz IKTHLDZOMISEGS-CYBMUJFWSA-N 1 0 219.328 2.068 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](C)COC)C1 ZINC000843422372 588108069 /nfs/dbraw/zinc/10/80/69/588108069.db2.gz DZWLCRHAIOZOBB-CHWSQXEVSA-N 1 0 209.333 2.004 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000843798198 588140885 /nfs/dbraw/zinc/14/08/85/588140885.db2.gz HJYPFMCKULXBTM-NTZNESFSSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CC[N@@H+](C[C@H]1CCCN1C)C1CCCCC1 ZINC000844282927 588180274 /nfs/dbraw/zinc/18/02/74/588180274.db2.gz YOBVOVBFVDXWNQ-OAHLLOKOSA-N 1 0 234.387 2.349 20 30 BEEDRO C#CC[N@H+]1CC[C@](C)(c2cccc(F)c2)C1 ZINC000844356551 588187594 /nfs/dbraw/zinc/18/75/94/588187594.db2.gz DSGAXPDOEPGICZ-AWEZNQCLSA-N 1 0 217.287 2.422 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000844371939 588188329 /nfs/dbraw/zinc/18/83/29/588188329.db2.gz SQKAQCOQVQMFBS-OAHLLOKOSA-N 1 0 244.338 2.490 20 30 BEEDRO CC#CC[N@@H+](C)CCN(C)c1ccc(OC)cc1 ZINC000844401318 588190237 /nfs/dbraw/zinc/19/02/37/588190237.db2.gz LOJWIKKZDNEYNH-UHFFFAOYSA-N 1 0 246.354 2.087 20 30 BEEDRO C=C(C)CO[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000844615590 588207953 /nfs/dbraw/zinc/20/79/53/588207953.db2.gz UWDAKCDVRJNYNW-UHFFFAOYSA-N 1 0 248.326 2.042 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2(C)OCCO2)C1 ZINC000845954289 588251436 /nfs/dbraw/zinc/25/14/36/588251436.db2.gz NEICYMCRWQYAJB-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC2(C)OCCO2)C1 ZINC000845954287 588251585 /nfs/dbraw/zinc/25/15/85/588251585.db2.gz NEICYMCRWQYAJB-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO C[C@@H]1C[C@@H](NCC2(C#N)CCCC2)C[N@@H+]1C1CC1 ZINC000846011017 588253292 /nfs/dbraw/zinc/25/32/92/588253292.db2.gz QNGQGZAEJQPZDJ-CHWSQXEVSA-N 1 0 247.386 2.285 20 30 BEEDRO C#CCCC[N@@H+](CC)CC(OCC)OCC ZINC000846973655 588299540 /nfs/dbraw/zinc/29/95/40/588299540.db2.gz DVIDTNYTUHXZMC-UHFFFAOYSA-N 1 0 227.348 2.121 20 30 BEEDRO C=CCCCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000846988499 588300532 /nfs/dbraw/zinc/30/05/32/588300532.db2.gz LRZGCELJXQLBTE-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C#C[C@@H]1COCCN1CCC(C)(C)C1CC1 ZINC000846990950 588300572 /nfs/dbraw/zinc/30/05/72/588300572.db2.gz GRBDOFDIGDWBGC-CYBMUJFWSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCSC(C)C)C1 ZINC000847018583 588301797 /nfs/dbraw/zinc/30/17/97/588301797.db2.gz LMOZHBDIIZFWOG-GFCCVEGCSA-N 1 0 211.374 2.473 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ncccc2C)C1 ZINC000847018595 588302144 /nfs/dbraw/zinc/30/21/44/588302144.db2.gz LOSGRRKRYLDAQO-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCc2csc(C)n2)C1 ZINC000847021057 588302681 /nfs/dbraw/zinc/30/26/81/588302681.db2.gz IDZCEZYBQYXZPH-GFCCVEGCSA-N 1 0 234.368 2.339 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000847022061 588302766 /nfs/dbraw/zinc/30/27/66/588302766.db2.gz FEIKXSBQQZSWPV-ZBFHGGJFSA-N 1 0 243.350 2.239 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2c(C)onc2CC)C1 ZINC000847026212 588304049 /nfs/dbraw/zinc/30/40/49/588304049.db2.gz PAFBPNOTYDCVIK-LBPRGKRZSA-N 1 0 232.327 2.391 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2c(C)onc2CC)C1 ZINC000847026207 588304114 /nfs/dbraw/zinc/30/41/14/588304114.db2.gz PAFBPNOTYDCVIK-GFCCVEGCSA-N 1 0 232.327 2.391 20 30 BEEDRO C=C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000847565538 588317122 /nfs/dbraw/zinc/31/71/22/588317122.db2.gz ZBSJETCXDGMDEZ-LBPRGKRZSA-N 1 0 246.354 2.095 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847821602 588334102 /nfs/dbraw/zinc/33/41/02/588334102.db2.gz JGAAOEIEFNZFPH-OLZOCXBDSA-N 1 0 239.359 2.474 20 30 BEEDRO C#CCCCCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847822402 588334269 /nfs/dbraw/zinc/33/42/69/588334269.db2.gz BKXPOJMMZSWSLA-ZDUSSCGKSA-N 1 0 237.343 2.065 20 30 BEEDRO CCCCCCCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000107263915 588345038 /nfs/dbraw/zinc/34/50/38/588345038.db2.gz MKFYWLCZNZJGHN-LBPRGKRZSA-N 1 0 226.364 2.167 20 30 BEEDRO C#CCCCC(=O)OC[C@H](C)[NH+]1CCCCC1 ZINC000847964006 588346034 /nfs/dbraw/zinc/34/60/34/588346034.db2.gz VQIULXGKGNGNKB-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C#CCCCC[NH2+]Cc1cc2n(n1)CCCC2 ZINC000848539691 588394461 /nfs/dbraw/zinc/39/44/61/588394461.db2.gz MIOGCYIRSMKLBW-UHFFFAOYSA-N 1 0 231.343 2.113 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc(Cl)n1C ZINC000848555834 588396316 /nfs/dbraw/zinc/39/63/16/588396316.db2.gz YCAIOFOKXHVHNP-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C=CCCc1noc([C@H]2C[C@@]23CCC[NH2+]C3)n1 ZINC000848629875 588402582 /nfs/dbraw/zinc/40/25/82/588402582.db2.gz GLYHAACJABUKIG-ZWNOBZJWSA-N 1 0 233.315 2.045 20 30 BEEDRO C#C[C@@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000848750695 588411248 /nfs/dbraw/zinc/41/12/48/588411248.db2.gz IYMHKVIZTHEJDS-GFCCVEGCSA-N 1 0 200.285 2.240 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848898861 588418009 /nfs/dbraw/zinc/41/80/09/588418009.db2.gz HZOIJHKXEXVUIT-QROSGCPLSA-N 1 0 235.283 2.130 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cc(C(=O)OC)oc1C)C(C)C ZINC000848910788 588419731 /nfs/dbraw/zinc/41/97/31/588419731.db2.gz PZKXQYLWHOTFNE-GFCCVEGCSA-N 1 0 249.310 2.122 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(CC)c1O ZINC000848915791 588419856 /nfs/dbraw/zinc/41/98/56/588419856.db2.gz MDRZGNHCGAPOAM-KGLIPLIRSA-N 1 0 247.338 2.388 20 30 BEEDRO CC(C)c1ccc(CCNC2=[NH+]C[C@H](C)N2)cc1 ZINC000848981610 588423877 /nfs/dbraw/zinc/42/38/77/588423877.db2.gz DCVFIJYAYUNWMS-LBPRGKRZSA-N 1 0 245.370 2.290 20 30 BEEDRO C[NH+]=C(NCc1ccc([C@@H]2C[C@@H]2C)o1)NC1CC1 ZINC000848985965 588425371 /nfs/dbraw/zinc/42/53/71/588425371.db2.gz LBXGBWLHSGQZLW-JOYOIKCWSA-N 1 0 247.342 2.230 20 30 BEEDRO C=CCNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000848986552 588425533 /nfs/dbraw/zinc/42/55/33/588425533.db2.gz FFSJCIWNWGOXAH-UHFFFAOYSA-N 1 0 242.326 2.010 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@H](C)C#N)cc1C ZINC000849003794 588431711 /nfs/dbraw/zinc/43/17/11/588431711.db2.gz GPLOMKDIICPKAI-SECBINFHSA-N 1 0 230.315 2.399 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCc2ccccc2C1 ZINC000849009189 588434333 /nfs/dbraw/zinc/43/43/33/588434333.db2.gz JDOQUTHGVIVPDY-GFCCVEGCSA-N 1 0 243.354 2.091 20 30 BEEDRO C=CCNC(=[NH2+])N[C@H]1C[C@]1(C)c1ccccc1 ZINC000849010214 588434715 /nfs/dbraw/zinc/43/47/15/588434715.db2.gz JVTJWJPFNLFVPF-GXTWGEPZSA-N 1 0 229.327 2.017 20 30 BEEDRO C#CCCCCNC(=[NH2+])NCc1ccc(C)cc1 ZINC000849012797 588435919 /nfs/dbraw/zinc/43/59/19/588435919.db2.gz GEERRXRTYJBYMJ-UHFFFAOYSA-N 1 0 243.354 2.412 20 30 BEEDRO C=CCNC(=[NH2+])NCc1c(F)cccc1Cl ZINC000849014313 588436204 /nfs/dbraw/zinc/43/62/04/588436204.db2.gz BXCJSVUVXKPCRX-UHFFFAOYSA-N 1 0 241.697 2.279 20 30 BEEDRO CCNC(NCCCc1cccs1)=[NH+]CC ZINC000849015340 588436809 /nfs/dbraw/zinc/43/68/09/588436809.db2.gz IOUBVTWRAWXYLB-UHFFFAOYSA-N 1 0 239.388 2.256 20 30 BEEDRO C#C[C@H](C)NC(=[NH2+])Nc1ccc(OC(C)C)cc1 ZINC000849020264 588438545 /nfs/dbraw/zinc/43/85/45/588438545.db2.gz KCWQHILEXRASAJ-NSHDSACASA-N 1 0 245.326 2.432 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])NCc1ccc(C)cc1 ZINC000849022412 588439234 /nfs/dbraw/zinc/43/92/34/588439234.db2.gz XJMDBIJTCSQAHJ-ZDUSSCGKSA-N 1 0 229.327 2.021 20 30 BEEDRO C=CCCCNC(=[NH2+])NCc1ccccc1OC ZINC000849024502 588439954 /nfs/dbraw/zinc/43/99/54/588439954.db2.gz YYEVTRLOQRKVNA-UHFFFAOYSA-N 1 0 247.342 2.275 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[C@@H]1C ZINC000849026406 588440502 /nfs/dbraw/zinc/44/05/02/588440502.db2.gz YQQHZIPUNXCTLP-RYUDHWBXSA-N 1 0 249.358 2.381 20 30 BEEDRO C=CCCCCCCCNC1=[NH+]CCN1C ZINC000849029136 588441903 /nfs/dbraw/zinc/44/19/03/588441903.db2.gz FSRVDDWHAGDWQD-UHFFFAOYSA-N 1 0 223.364 2.404 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NC[C@@H]1C[C@H]1C(C)C ZINC000849037624 588446086 /nfs/dbraw/zinc/44/60/86/588446086.db2.gz SQOHQCLOIWWORP-AAEUAGOBSA-N 1 0 249.358 2.237 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])N[C@@H](C)CC)c1 ZINC000849038726 588446458 /nfs/dbraw/zinc/44/64/58/588446458.db2.gz ZHHLCFCSFFCUJV-NSHDSACASA-N 1 0 229.327 2.080 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@H](C)CC)c1ccccc1 ZINC000849045267 588449446 /nfs/dbraw/zinc/44/94/46/588449446.db2.gz HARAGCMGEGHZAG-YPMHNXCESA-N 1 0 229.327 2.273 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@]1(F)c1ccccc1 ZINC000849045162 588449627 /nfs/dbraw/zinc/44/96/27/588449627.db2.gz RWNCPSWHUFDKRF-GXTWGEPZSA-N 1 0 247.317 2.314 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCC1CCC1)c1ccccc1 ZINC000849045923 588449959 /nfs/dbraw/zinc/44/99/59/588449959.db2.gz SDBVFGCDSIGLQV-CQSZACIVSA-N 1 0 241.338 2.275 20 30 BEEDRO CC1CCN(C(=[NH2+])NCC2(C#N)CCCC2)CC1 ZINC000849046499 588450206 /nfs/dbraw/zinc/45/02/06/588450206.db2.gz HUJVIVJCLHBGJZ-UHFFFAOYSA-N 1 0 248.374 2.327 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(C#N)CCCC2)C1 ZINC000849046388 588450387 /nfs/dbraw/zinc/45/03/87/588450387.db2.gz DUBJDBGKURVIOV-GFCCVEGCSA-N 1 0 248.374 2.327 20 30 BEEDRO CCNC(NCC[C@]1(C)C[C@@]1(F)Cl)=[NH+]CC ZINC000849047732 588450842 /nfs/dbraw/zinc/45/08/42/588450842.db2.gz UDDXISGALKDOLK-MNOVXSKESA-N 1 0 249.761 2.266 20 30 BEEDRO C=CCCCCC[NH+]=C(N(C)C)N(C)C ZINC000849049407 588451441 /nfs/dbraw/zinc/45/14/41/588451441.db2.gz OYZZCBLIEQUMJJ-UHFFFAOYSA-N 1 0 211.353 2.212 20 30 BEEDRO CCCCCC[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000849326995 588472894 /nfs/dbraw/zinc/47/28/94/588472894.db2.gz MOSWWNODWRFYQX-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C)C2(C)CC2)nn1 ZINC000850093806 588519434 /nfs/dbraw/zinc/51/94/34/588519434.db2.gz JYGPTYWEIDUKFL-NSHDSACASA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCCn1cc(C[NH2+]CCC2CCC2)nn1 ZINC000850184048 588525305 /nfs/dbraw/zinc/52/53/05/588525305.db2.gz KWQFOPLYEHYAEO-UHFFFAOYSA-N 1 0 234.347 2.134 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@H]2CC[C@H](C)C2)nn1 ZINC000850266835 588534055 /nfs/dbraw/zinc/53/40/55/588534055.db2.gz JUSBOCCDMOSSKN-RYUDHWBXSA-N 1 0 234.347 2.132 20 30 BEEDRO N#Cc1ccc(CC[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000850346360 588537899 /nfs/dbraw/zinc/53/78/99/588537899.db2.gz SFUDTXPRQCSLIU-HNNXBMFYSA-N 1 0 244.338 2.117 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(OCC)cc1O ZINC000850354327 588538705 /nfs/dbraw/zinc/53/87/05/588538705.db2.gz DMCOULZYCOFTMT-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000850369200 588541193 /nfs/dbraw/zinc/54/11/93/588541193.db2.gz GOOGLFLYPZSOAT-OAHLLOKOSA-N 1 0 241.334 2.469 20 30 BEEDRO N#CC1(C[NH2+]C[C@@H]2CCCOC2)CCCCC1 ZINC000850390623 588542915 /nfs/dbraw/zinc/54/29/15/588542915.db2.gz LHDZKYXAKRYFCD-ZDUSSCGKSA-N 1 0 236.359 2.477 20 30 BEEDRO COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1C#N ZINC000850392069 588543862 /nfs/dbraw/zinc/54/38/62/588543862.db2.gz GGRKXBGDXOEMMN-NHAGDIPZSA-N 1 0 242.322 2.455 20 30 BEEDRO C=CCCC(C)(C)[NH2+]Cc1nn(CC)nc1C ZINC000850417190 588544735 /nfs/dbraw/zinc/54/47/35/588544735.db2.gz OYMGTLUBAKGFMY-UHFFFAOYSA-N 1 0 236.363 2.441 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](COC)CC1CCOCC1 ZINC000850443718 588545670 /nfs/dbraw/zinc/54/56/70/588545670.db2.gz NDKBLRRFJDXNQN-LBPRGKRZSA-N 1 0 247.766 2.160 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)Cn1cncn1 ZINC000850446982 588547546 /nfs/dbraw/zinc/54/75/46/588547546.db2.gz CSXFOERSQOMBJW-LBPRGKRZSA-N 1 0 224.352 2.227 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC23CC3)nc1 ZINC000850462838 588548535 /nfs/dbraw/zinc/54/85/35/588548535.db2.gz REJDJSGHKSFDPN-ZDUSSCGKSA-N 1 0 227.311 2.376 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCSCC1)[C@H]1CCCO1 ZINC000850461996 588548586 /nfs/dbraw/zinc/54/85/86/588548586.db2.gz NSNUPIKGBJXYEN-RWMBFGLXSA-N 1 0 239.384 2.043 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H](C)C(C)(C)C(F)F ZINC000850470396 588548824 /nfs/dbraw/zinc/54/88/24/588548824.db2.gz AIQQTHUZNBYUPY-NSHDSACASA-N 1 0 246.345 2.211 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCN(C)OC)c1ccco1 ZINC000850479272 588550626 /nfs/dbraw/zinc/55/06/26/588550626.db2.gz PAWYIEFXWCYVSI-GFCCVEGCSA-N 1 0 238.331 2.370 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850502657 588552766 /nfs/dbraw/zinc/55/27/66/588552766.db2.gz SVVINGNSKQNICI-SECBINFHSA-N 1 0 235.287 2.404 20 30 BEEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCCF ZINC000850897754 588574975 /nfs/dbraw/zinc/57/49/75/588574975.db2.gz BZCPKWNWKAGUBT-LBPRGKRZSA-N 1 0 243.322 2.013 20 30 BEEDRO C=CCN(CCC(C)C)CC(=O)OCC ZINC000110054505 588609691 /nfs/dbraw/zinc/60/96/91/588609691.db2.gz ZTQVVXZUPPACNM-UHFFFAOYSA-N 1 0 213.321 2.084 20 30 BEEDRO C#CCOCC[N@@H+](C)C1CCCCCC1 ZINC000851712513 588615590 /nfs/dbraw/zinc/61/55/90/588615590.db2.gz PYPGKKKSOCIBSX-UHFFFAOYSA-N 1 0 209.333 2.291 20 30 BEEDRO C=CC[NH+](CC=C)CC[C@H]1COC(C)(C)O1 ZINC000851726545 588617921 /nfs/dbraw/zinc/61/79/21/588617921.db2.gz RVCUZDZBEIURPL-LBPRGKRZSA-N 1 0 225.332 2.202 20 30 BEEDRO C=CC[NH+](CC=C)CC[C@@H]1COC(C)(C)O1 ZINC000851726544 588617946 /nfs/dbraw/zinc/61/79/46/588617946.db2.gz RVCUZDZBEIURPL-GFCCVEGCSA-N 1 0 225.332 2.202 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000851733761 588619849 /nfs/dbraw/zinc/61/98/49/588619849.db2.gz GEMZRNPGAGHQHS-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO CO[C@H](C[NH+]1CCC(C#N)CC1)C1CCCC1 ZINC000851739458 588620872 /nfs/dbraw/zinc/62/08/72/588620872.db2.gz BKLRJQNEPSJCCV-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@@H](C[NH+]1CCC(C#N)CC1)C1CCCC1 ZINC000851739457 588620926 /nfs/dbraw/zinc/62/09/26/588620926.db2.gz BKLRJQNEPSJCCV-AWEZNQCLSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](c2ccccc2F)C1 ZINC000851763079 588624680 /nfs/dbraw/zinc/62/46/80/588624680.db2.gz IKIWBRNAPBUASQ-ZDUSSCGKSA-N 1 0 247.313 2.265 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000851784987 588628407 /nfs/dbraw/zinc/62/84/07/588628407.db2.gz JIXMOMGJOKGVEG-INIZCTEOSA-N 1 0 243.350 2.201 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CC[C@H](SCC)C1 ZINC000851792505 588628891 /nfs/dbraw/zinc/62/88/91/588628891.db2.gz POLGDBZDMOZKHT-STQMWFEESA-N 1 0 241.400 2.242 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CC[C@H](SCC)C1 ZINC000851792503 588629272 /nfs/dbraw/zinc/62/92/72/588629272.db2.gz POLGDBZDMOZKHT-OLZOCXBDSA-N 1 0 241.400 2.242 20 30 BEEDRO C#CCOCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000851800514 588630633 /nfs/dbraw/zinc/63/06/33/588630633.db2.gz KRGLTDOYSGXDQK-AWEZNQCLSA-N 1 0 215.296 2.083 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000851808670 588631821 /nfs/dbraw/zinc/63/18/21/588631821.db2.gz POHPMMOYYKAUEW-CQSZACIVSA-N 1 0 247.313 2.265 20 30 BEEDRO C#CCOCC[NH2+][C@H](c1ncccc1C)C(C)C ZINC000851844629 588634775 /nfs/dbraw/zinc/63/47/75/588634775.db2.gz ZYLIBBLWRNUXLA-AWEZNQCLSA-N 1 0 246.354 2.327 20 30 BEEDRO C#CCOCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000851869086 588637030 /nfs/dbraw/zinc/63/70/30/588637030.db2.gz AVNOJJIZODNLTO-UHFFFAOYSA-N 1 0 221.344 2.314 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000851873374 588637728 /nfs/dbraw/zinc/63/77/28/588637728.db2.gz WKDACBNXUWCAKT-OWCLPIDISA-N 1 0 246.398 2.064 20 30 BEEDRO C#CCCN1CC[NH+](CCCC2CCC2)CC1 ZINC000851872496 588637855 /nfs/dbraw/zinc/63/78/55/588637855.db2.gz FNSWVRHYBNKKSO-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)C[C@H]1CCC(=O)O1 ZINC000851913077 588643202 /nfs/dbraw/zinc/64/32/02/588643202.db2.gz UOWMXIQDLIWDGY-CYBMUJFWSA-N 1 0 249.310 2.016 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000851920821 588643761 /nfs/dbraw/zinc/64/37/61/588643761.db2.gz SGJCLUJLEZHZAR-MJBXVCDLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H](C)C(C)(C)C1 ZINC000851936799 588645829 /nfs/dbraw/zinc/64/58/29/588645829.db2.gz XCKGALDJNOWBMV-LBPRGKRZSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CCOCC[N@@H+]1CCSC(CC)(CC)C1 ZINC000851940683 588646145 /nfs/dbraw/zinc/64/61/45/588646145.db2.gz DEHKPSQQUAGQDI-UHFFFAOYSA-N 1 0 241.400 2.244 20 30 BEEDRO C=CCC[N@@H+](C)CC[C@@H]1COC(C)(C)O1 ZINC000851974149 588650049 /nfs/dbraw/zinc/65/00/49/588650049.db2.gz TUNBNIMHFGDTRI-LLVKDONJSA-N 1 0 213.321 2.036 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000851977239 588650493 /nfs/dbraw/zinc/65/04/93/588650493.db2.gz UUWFOBDGQWWSBU-FRRDWIJNSA-N 1 0 209.333 2.003 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cccc(F)n1 ZINC000851986990 588651800 /nfs/dbraw/zinc/65/18/00/588651800.db2.gz QSDNFWNSQPNNPB-UHFFFAOYSA-N 1 0 206.264 2.064 20 30 BEEDRO C#CCOCC[N@@H+]1CCC=C(c2ccccc2)C1 ZINC000852021947 588656161 /nfs/dbraw/zinc/65/61/61/588656161.db2.gz HARHZQXACLCGJX-UHFFFAOYSA-N 1 0 241.334 2.426 20 30 BEEDRO C#CCOCC[N@@H+](C)C1CCC(F)(F)CC1 ZINC000852053095 588657845 /nfs/dbraw/zinc/65/78/45/588657845.db2.gz ZICYNSAPWVTPLE-UHFFFAOYSA-N 1 0 231.286 2.146 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000852098312 588662174 /nfs/dbraw/zinc/66/21/74/588662174.db2.gz JPXANSTZUTYPLH-HNNXBMFYSA-N 1 0 244.338 2.041 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCOc1ccc(C#N)cc1 ZINC000852098589 588662325 /nfs/dbraw/zinc/66/23/25/588662325.db2.gz QSBVIPREOTVDQN-OAHLLOKOSA-N 1 0 242.322 2.329 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccnc(N(C)C)c1 ZINC000852100788 588662582 /nfs/dbraw/zinc/66/25/82/588662582.db2.gz IZZBPQKARUNIDA-CQSZACIVSA-N 1 0 231.343 2.039 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC[S@@](=O)c1ccccc1 ZINC000852099442 588662619 /nfs/dbraw/zinc/66/26/19/588662619.db2.gz MCOGAHALHSTOMT-RHSMWYFYSA-N 1 0 249.379 2.186 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC[S@](=O)c1ccccc1 ZINC000852099444 588662663 /nfs/dbraw/zinc/66/26/63/588662663.db2.gz MCOGAHALHSTOMT-YOEHRIQHSA-N 1 0 249.379 2.186 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC[S@@](=O)c1ccccc1 ZINC000852099443 588662677 /nfs/dbraw/zinc/66/26/77/588662677.db2.gz MCOGAHALHSTOMT-WMLDXEAASA-N 1 0 249.379 2.186 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCC(=O)OC(C)(C)C ZINC000852100508 588662736 /nfs/dbraw/zinc/66/27/36/588662736.db2.gz HNFIALMQTDWXFH-CQSZACIVSA-N 1 0 239.359 2.500 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCCC(=O)OCC ZINC000852101967 588663023 /nfs/dbraw/zinc/66/30/23/588663023.db2.gz IWNAJPHYOLJSPO-CYBMUJFWSA-N 1 0 225.332 2.111 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1c(C)noc1C ZINC000852102366 588663040 /nfs/dbraw/zinc/66/30/40/588663040.db2.gz XCKCXAUVZSKMRW-ZDUSSCGKSA-N 1 0 220.316 2.225 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CC(OC(C)C)C1 ZINC000852103215 588663310 /nfs/dbraw/zinc/66/33/10/588663310.db2.gz AKYGFZOCAMWLKG-WXRRBKDZSA-N 1 0 209.333 2.334 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](CC(C)C)OC ZINC000852103366 588663462 /nfs/dbraw/zinc/66/34/62/588663462.db2.gz FTAOUBBAPAADPU-QWHCGFSZSA-N 1 0 211.349 2.439 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccc(N)c1 ZINC000852103805 588663644 /nfs/dbraw/zinc/66/36/44/588663644.db2.gz RERASKRWONQOKS-CYBMUJFWSA-N 1 0 202.301 2.160 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCc1cscn1 ZINC000852103619 588663669 /nfs/dbraw/zinc/66/36/69/588663669.db2.gz MRNILIWVJVEOPX-NSHDSACASA-N 1 0 208.330 2.077 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc2nonc2c1 ZINC000852103933 588663698 /nfs/dbraw/zinc/66/36/98/588663698.db2.gz WINWGOCOILHIDB-CYBMUJFWSA-N 1 0 229.283 2.114 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000852103621 588663904 /nfs/dbraw/zinc/66/39/04/588663904.db2.gz MVJJSICSPIUPIA-GJZGRUSLSA-N 1 0 249.329 2.121 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](OC)C2)C1 ZINC000852207002 588671608 /nfs/dbraw/zinc/67/16/08/588671608.db2.gz WTJVLVOSLVIABK-MGPQQGTHSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000852206944 588671880 /nfs/dbraw/zinc/67/18/80/588671880.db2.gz VVXPVENWWZOQMZ-MGPQQGTHSA-N 1 0 221.344 2.025 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C)nc(C)n2)C1 ZINC000852207108 588672198 /nfs/dbraw/zinc/67/21/98/588672198.db2.gz ZJPSOZFSUJCWPH-CQSZACIVSA-N 1 0 243.354 2.329 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000852217063 588673613 /nfs/dbraw/zinc/67/36/13/588673613.db2.gz SZVHMOQYFBKZEV-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1OCCO1 ZINC000852303725 588677643 /nfs/dbraw/zinc/67/76/43/588677643.db2.gz XZVXZWGYCVFGQL-RYUDHWBXSA-N 1 0 225.332 2.084 20 30 BEEDRO CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000852319278 588678013 /nfs/dbraw/zinc/67/80/13/588678013.db2.gz JGUMXNNAIHMVDU-RWMBFGLXSA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)([NH2+]C[C@@H](O)C1CC1)c1cccc(C#N)c1 ZINC000852353443 588679198 /nfs/dbraw/zinc/67/91/98/588679198.db2.gz HLLNVBOXHWIEHP-CQSZACIVSA-N 1 0 244.338 2.154 20 30 BEEDRO C#CCOCC[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC000852353540 588679349 /nfs/dbraw/zinc/67/93/49/588679349.db2.gz LAGGIGXNXQUASH-UHFFFAOYSA-N 1 0 242.322 2.033 20 30 BEEDRO C=CC[N@H+](C[Si](C)(C)C)[C@H](C)COC ZINC000852358700 588679973 /nfs/dbraw/zinc/67/99/73/588679973.db2.gz YTMZJUARHZQGHY-LLVKDONJSA-N 1 0 215.413 2.387 20 30 BEEDRO Cc1ccc2c(c1)C[N@H+](CCO[C@H](C)C#N)CC2 ZINC000852404618 588680949 /nfs/dbraw/zinc/68/09/49/588680949.db2.gz RGYIQWQRRQNRAX-CYBMUJFWSA-N 1 0 244.338 2.282 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](CCO[C@H](C)C#N)C1 ZINC000852410240 588681522 /nfs/dbraw/zinc/68/15/22/588681522.db2.gz KIJSKTYWHHKFQS-CHWSQXEVSA-N 1 0 222.332 2.203 20 30 BEEDRO C#CC[N@H+]1CC[C@@](C)(c2cccc(OC)c2)C1 ZINC000852535879 588688764 /nfs/dbraw/zinc/68/87/64/588688764.db2.gz MXGDNJZJOSZHIT-OAHLLOKOSA-N 1 0 229.323 2.292 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)OC ZINC000852569116 588691235 /nfs/dbraw/zinc/69/12/35/588691235.db2.gz DHQOJYUOMJRUFT-GFCCVEGCSA-N 1 0 242.363 2.361 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C12CCC2 ZINC000852586835 588692380 /nfs/dbraw/zinc/69/23/80/588692380.db2.gz UHXRHSHGMZYRKU-NEPJUHHUSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000852596818 588692636 /nfs/dbraw/zinc/69/26/36/588692636.db2.gz OCEQLXIRLPSJIE-KGLIPLIRSA-N 1 0 221.344 2.291 20 30 BEEDRO N#CCOc1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1 ZINC000852634795 588693268 /nfs/dbraw/zinc/69/32/68/588693268.db2.gz IZPQGVPFXYRWIO-KBPBESRZSA-N 1 0 242.322 2.431 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C(/C)C(=O)OC ZINC000852686580 588695742 /nfs/dbraw/zinc/69/57/42/588695742.db2.gz XYUNBPAWDXBHKJ-JZMZOOAYSA-N 1 0 235.327 2.289 20 30 BEEDRO C#CCC[N@@H+](CCC=C(C)C)CCOC ZINC000852750600 588700184 /nfs/dbraw/zinc/70/01/84/588700184.db2.gz ZRSBTIYPBLPDCT-UHFFFAOYSA-N 1 0 209.333 2.314 20 30 BEEDRO C=CC[C@@H](C=C)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000860924752 589133146 /nfs/dbraw/zinc/13/31/46/589133146.db2.gz BTKPOUSPTGUTTP-VXGBXAGGSA-N 1 0 225.332 2.247 20 30 BEEDRO CCCCCCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000861637535 589171734 /nfs/dbraw/zinc/17/17/34/589171734.db2.gz DXWAWAQWWLCTJX-GFCCVEGCSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000861638526 589171929 /nfs/dbraw/zinc/17/19/29/589171929.db2.gz KEBILPJULBYZTN-LBPRGKRZSA-N 1 0 241.379 2.008 20 30 BEEDRO CCCCCCCNC(=O)N1CCC([NH3+])CC1 ZINC000861655551 589173116 /nfs/dbraw/zinc/17/31/16/589173116.db2.gz SSVWJMBRGMMIAG-UHFFFAOYSA-N 1 0 241.379 2.090 20 30 BEEDRO C#CCCC[NH2+]Cc1ccnc(F)c1C ZINC000862284494 589199539 /nfs/dbraw/zinc/19/95/39/589199539.db2.gz DDHXNKZRCAMEOX-UHFFFAOYSA-N 1 0 206.264 2.032 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccnc(F)c1C ZINC000862283832 589199713 /nfs/dbraw/zinc/19/97/13/589199713.db2.gz BYGYIMUQECBKAH-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C#CCCC[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000862286462 589199990 /nfs/dbraw/zinc/19/99/90/589199990.db2.gz XHKKPBOHWCGDER-SECBINFHSA-N 1 0 201.260 2.423 20 30 BEEDRO CCCCCCCNC(=O)[C@H](C)[NH+](C)C ZINC000862358300 589203069 /nfs/dbraw/zinc/20/30/69/589203069.db2.gz BFWXQVGHLFBBQM-NSHDSACASA-N 1 0 214.353 2.023 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(OC)c(O)c2)C1 ZINC000862442310 589213182 /nfs/dbraw/zinc/21/31/82/589213182.db2.gz BOZIFUSWIVLWEM-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cnc(C)s2)C1 ZINC000862443503 589213738 /nfs/dbraw/zinc/21/37/38/589213738.db2.gz PZLWCWIEDBJAQG-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000862444601 589213933 /nfs/dbraw/zinc/21/39/33/589213933.db2.gz CZWNOXIBOICMSG-NSHDSACASA-N 1 0 246.379 2.477 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2nc(C)cs2)C1 ZINC000862445511 589214742 /nfs/dbraw/zinc/21/47/42/589214742.db2.gz VQHDCRBQQQDBJB-NSHDSACASA-N 1 0 220.341 2.297 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000862445663 589214770 /nfs/dbraw/zinc/21/47/70/589214770.db2.gz ZCIKSFCWVSHIQZ-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ccnn2CC2CC2)C1 ZINC000862448472 589215125 /nfs/dbraw/zinc/21/51/25/589215125.db2.gz ZGEGWAPLXABLJX-ZDUSSCGKSA-N 1 0 243.354 2.138 20 30 BEEDRO C#Cc1ccc(CN2CC3(C2)CCCO3)cc1 ZINC000862484124 589217016 /nfs/dbraw/zinc/21/70/16/589217016.db2.gz DBGMZTUCVHSPGI-UHFFFAOYSA-N 1 0 227.307 2.033 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000862547310 589219959 /nfs/dbraw/zinc/21/99/59/589219959.db2.gz AOXDUOUZSGQLIU-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000862547307 589220089 /nfs/dbraw/zinc/22/00/89/589220089.db2.gz AOXDUOUZSGQLIU-JHJVBQTASA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)Cc1ccoc1 ZINC000862548196 589220195 /nfs/dbraw/zinc/22/01/95/589220195.db2.gz AGGYEJUJTKGXHP-OCCSQVGLSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)CCC=C ZINC000862547331 589220214 /nfs/dbraw/zinc/22/02/14/589220214.db2.gz BOIGQZCUKCMRDD-QWHCGFSZSA-N 1 0 209.333 2.359 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CC(C)C ZINC000862548173 589220238 /nfs/dbraw/zinc/22/02/38/589220238.db2.gz ZFIURRHNRAMTGS-STQMWFEESA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)C1CCC1 ZINC000862549345 589220429 /nfs/dbraw/zinc/22/04/29/589220429.db2.gz ZZVOXGQZBJOKNC-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]CCC(C)(C)C ZINC000862549160 589220485 /nfs/dbraw/zinc/22/04/85/589220485.db2.gz WHSOQOHQBXAAMM-GFCCVEGCSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)C1CCC1 ZINC000862549348 589220510 /nfs/dbraw/zinc/22/05/10/589220510.db2.gz ZZVOXGQZBJOKNC-YPMHNXCESA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000862551054 589220842 /nfs/dbraw/zinc/22/08/42/589220842.db2.gz QHPGCDMSPSQEKB-ROKHWSDSSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@H](CC=C)C1 ZINC000862551709 589220875 /nfs/dbraw/zinc/22/08/75/589220875.db2.gz XXIPKJVXQNSDNW-MELADBBJSA-N 1 0 221.344 2.359 20 30 BEEDRO Cc1ccc(N=NC2CC[N@@H+](C)C(C)(C)C2)nn1 ZINC000863091077 589255139 /nfs/dbraw/zinc/25/51/39/589255139.db2.gz MKHDAJYXSOUDNU-UHFFFAOYSA-N 1 0 247.346 2.057 20 30 BEEDRO CCC(=[NH+]N[C@@H]1CCCOC1)c1ccc(N)cc1 ZINC000863107864 589257249 /nfs/dbraw/zinc/25/72/49/589257249.db2.gz BXGMESRGYWOUFB-CYBMUJFWSA-N 1 0 247.342 2.152 20 30 BEEDRO Cc1cc(NN=Cc2cnn(C(C)C)c2)cc[nH+]1 ZINC000863158840 589264063 /nfs/dbraw/zinc/26/40/63/589264063.db2.gz UAFSSNKZXCLYOP-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO Cc1cccc(N=NC2CCC[N@@H+](C)CC2)n1 ZINC000863159962 589264725 /nfs/dbraw/zinc/26/47/25/589264725.db2.gz LOKDDSQTFUYAGK-UHFFFAOYSA-N 1 0 232.331 2.274 20 30 BEEDRO OCCC[C@H]1CCCCC1=[NH+]n1cccn1 ZINC000863163713 589266375 /nfs/dbraw/zinc/26/63/75/589266375.db2.gz MWWQNOTUHMHBHF-LLVKDONJSA-N 1 0 221.304 2.050 20 30 BEEDRO CCCCCCC[NH2+]C[C@H](O)CSC ZINC000863560359 589298756 /nfs/dbraw/zinc/29/87/56/589298756.db2.gz GMIYWTZRGXAXDU-NSHDSACASA-N 1 0 219.394 2.270 20 30 BEEDRO CC#Cc1cccc(-c2cnn3c2C[NH2+]CC3)c1 ZINC000863691514 589311010 /nfs/dbraw/zinc/31/10/10/589311010.db2.gz RCEWNOZYIVXNMO-UHFFFAOYSA-N 1 0 237.306 2.025 20 30 BEEDRO C=CCCCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864464897 589370284 /nfs/dbraw/zinc/37/02/84/589370284.db2.gz KTHGZGHIHOUMSX-UHFFFAOYSA-N 1 0 247.342 2.124 20 30 BEEDRO C=C(CC)CNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864467181 589371775 /nfs/dbraw/zinc/37/17/75/589371775.db2.gz UBSKACMWQTUXBB-LLVKDONJSA-N 1 0 209.337 2.209 20 30 BEEDRO C=CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)C ZINC000865162900 589411989 /nfs/dbraw/zinc/41/19/89/589411989.db2.gz BOXLIQJNPQLTRQ-QWHCGFSZSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(Cl)C[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865471073 589439026 /nfs/dbraw/zinc/43/90/26/589439026.db2.gz JWVWULTZMYBCRK-UHFFFAOYSA-N 1 0 244.766 2.023 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(NC(C)=O)c1 ZINC000865478109 589439895 /nfs/dbraw/zinc/43/98/95/589439895.db2.gz RZABHYZDXWVODB-UHFFFAOYSA-N 1 0 230.311 2.148 20 30 BEEDRO C#CCCCC[NH2+]Cc1cc2c(cc[nH]c2=O)o1 ZINC000865490642 589441113 /nfs/dbraw/zinc/44/11/13/589441113.db2.gz BWMVSQZGWZTZHE-UHFFFAOYSA-N 1 0 244.294 2.427 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCCC#N ZINC000865526719 589443442 /nfs/dbraw/zinc/44/34/42/589443442.db2.gz WHVVVXIHCZJSEC-UHFFFAOYSA-N 1 0 242.326 2.018 20 30 BEEDRO Cc1cc(C#N)cc(NCC[N@H+]2CCC[C@@H]2C)n1 ZINC000865564530 589446914 /nfs/dbraw/zinc/44/69/14/589446914.db2.gz OGQIZOCFALEZAB-LBPRGKRZSA-N 1 0 244.342 2.158 20 30 BEEDRO C[C@@H](CF)[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865578921 589448628 /nfs/dbraw/zinc/44/86/28/589448628.db2.gz PRMXHNLWNTWRMX-JTQLQIEISA-N 1 0 235.306 2.072 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2cn(C3CC3)cn2)C1 ZINC000865587915 589449098 /nfs/dbraw/zinc/44/90/98/589449098.db2.gz XPHXHCXLVQXQNG-RYUDHWBXSA-N 1 0 244.342 2.390 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865588593 589449235 /nfs/dbraw/zinc/44/92/35/589449235.db2.gz HWIZXGGVJVMFOO-UHFFFAOYSA-N 1 0 244.342 2.270 20 30 BEEDRO C/C=C\C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865642100 589453756 /nfs/dbraw/zinc/45/37/56/589453756.db2.gz ACWKKBNQMUXIMB-PLNGDYQASA-N 1 0 229.327 2.290 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1csc(C)c1C ZINC000865646353 589454071 /nfs/dbraw/zinc/45/40/71/589454071.db2.gz NDNMQXXQSIZAOW-CYBMUJFWSA-N 1 0 237.368 2.493 20 30 BEEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)c1ccnn1C ZINC000865838412 589464046 /nfs/dbraw/zinc/46/40/46/589464046.db2.gz ILOLYLXMKAGRBE-SECBINFHSA-N 1 0 246.339 2.204 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](C)c2ccnn2C)cc1 ZINC000865838664 589464328 /nfs/dbraw/zinc/46/43/28/589464328.db2.gz LYFQIBAWEUMJQY-LBPRGKRZSA-N 1 0 239.322 2.252 20 30 BEEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)c1ccnn1C ZINC000865838699 589464489 /nfs/dbraw/zinc/46/44/89/589464489.db2.gz NCCISFZPRVNFGG-SECBINFHSA-N 1 0 246.339 2.204 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]CC1(F)CC1)C2 ZINC000865847036 589464615 /nfs/dbraw/zinc/46/46/15/589464615.db2.gz DSEVGUSRJXKWIO-ZDUSSCGKSA-N 1 0 230.286 2.117 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]Cc1ccoc1)C2 ZINC000865847442 589464680 /nfs/dbraw/zinc/46/46/80/589464680.db2.gz DYMMIRGTFGVKDV-OAHLLOKOSA-N 1 0 238.290 2.408 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CC)C[C@@H](C)O)cc1 ZINC000865874442 589466661 /nfs/dbraw/zinc/46/66/61/589466661.db2.gz XLOKULGGABKLIB-DOMZBBRYSA-N 1 0 231.339 2.307 20 30 BEEDRO C#CCCCOC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000120892005 589475472 /nfs/dbraw/zinc/47/54/72/589475472.db2.gz LGMCZUWQPDLFGS-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3)CC[C@H]21 ZINC000866208360 589480576 /nfs/dbraw/zinc/48/05/76/589480576.db2.gz UAPSZKYTPDNSNC-UKRRQHHQSA-N 1 0 241.338 2.089 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866300409 589484824 /nfs/dbraw/zinc/48/48/24/589484824.db2.gz WCEXTJJMSWIOQW-ZDUSSCGKSA-N 1 0 248.395 2.359 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CCc1cccnc1 ZINC000866316109 589486043 /nfs/dbraw/zinc/48/60/43/589486043.db2.gz WTAXWNGVECWCCT-DZGCQCFKSA-N 1 0 248.370 2.177 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1cccc(C)c1 ZINC000866337745 589486988 /nfs/dbraw/zinc/48/69/88/589486988.db2.gz MAGUEBHIRCVCFM-UKRRQHHQSA-N 1 0 233.355 2.453 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000866404604 589490734 /nfs/dbraw/zinc/49/07/34/589490734.db2.gz VUAZMASDGPOJEM-UTUOFQBUSA-N 1 0 224.373 2.411 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2CCSC2)C1 ZINC000866404601 589490756 /nfs/dbraw/zinc/49/07/56/589490756.db2.gz VUAZMASDGPOJEM-IJLUTSLNSA-N 1 0 224.373 2.411 20 30 BEEDRO COC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000866505256 589498211 /nfs/dbraw/zinc/49/82/11/589498211.db2.gz JSBHVVRCCDEOJF-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]3CSC[C@H]3C2)C1 ZINC000866584635 589502332 /nfs/dbraw/zinc/50/23/32/589502332.db2.gz PLWDITPOSJZKHO-XQHKEYJVSA-N 1 0 236.384 2.364 20 30 BEEDRO C=CCCC[N@@H+]1CCOc2cc(N)ccc2C1 ZINC000866692166 589512225 /nfs/dbraw/zinc/51/22/25/589512225.db2.gz XSWYEINHTXESJL-UHFFFAOYSA-N 1 0 232.327 2.429 20 30 BEEDRO C=C(Cl)CN1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866708301 589514585 /nfs/dbraw/zinc/51/45/85/589514585.db2.gz MMHJUVUBYAMWQB-GFCCVEGCSA-N 1 0 230.783 2.436 20 30 BEEDRO N#CCCCCC(=O)Nc1cc(F)cc(C[NH3+])c1 ZINC000868067821 589547789 /nfs/dbraw/zinc/54/77/89/589547789.db2.gz YGEXZWSHWIANDY-UHFFFAOYSA-N 1 0 249.289 2.307 20 30 BEEDRO C=CCN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868182749 589551112 /nfs/dbraw/zinc/55/11/12/589551112.db2.gz WLPWLAAEFANPBS-QWHCGFSZSA-N 1 0 245.326 2.151 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCCCC2CC2)CC1 ZINC000869397889 589603741 /nfs/dbraw/zinc/60/37/41/589603741.db2.gz JPEZRPOFLRMSQA-UHFFFAOYSA-N 1 0 249.354 2.065 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000123133968 589665792 /nfs/dbraw/zinc/66/57/92/589665792.db2.gz IMQWEHMJITWNMH-LLVKDONJSA-N 1 0 225.295 2.188 20 30 BEEDRO CC(C)[C@@H](C[NH+](C)C)OC(=O)CC(C)(C)C#N ZINC000870567070 589676309 /nfs/dbraw/zinc/67/63/09/589676309.db2.gz LRIYQSWUZCDBTD-LLVKDONJSA-N 1 0 240.347 2.056 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000123207093 589678454 /nfs/dbraw/zinc/67/84/54/589678454.db2.gz IFGYQEFZQMOXQP-CYBMUJFWSA-N 1 0 246.354 2.187 20 30 BEEDRO CCNC(NCCC[C@@H]1C=CCC1)=[NH+]CC ZINC000871603035 589772897 /nfs/dbraw/zinc/77/28/97/589772897.db2.gz BXOLDZWBXAUISV-GFCCVEGCSA-N 1 0 223.364 2.308 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2cnccn2)CC1 ZINC000871939551 589835146 /nfs/dbraw/zinc/83/51/46/589835146.db2.gz WQTQEAMXELWEFU-JHJVBQTASA-N 1 0 229.327 2.319 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cccc(O)c1F ZINC000872059915 589862723 /nfs/dbraw/zinc/86/27/23/589862723.db2.gz KTHQBCIJIRWPLB-JTQLQIEISA-N 1 0 239.290 2.385 20 30 BEEDRO C=CC(C)(C)CCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000872103414 589871017 /nfs/dbraw/zinc/87/10/17/589871017.db2.gz ZSRUFOUMKGFJHS-LLVKDONJSA-N 1 0 247.404 2.002 20 30 BEEDRO CC1(C)CO[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000872107497 589873801 /nfs/dbraw/zinc/87/38/01/589873801.db2.gz YVTUMKDVPLXAPA-TUAOUCFPSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCC[C@@H]1CCOC1=O ZINC000872114034 589874670 /nfs/dbraw/zinc/87/46/70/589874670.db2.gz SZIMYIBBMJSKQX-VXGBXAGGSA-N 1 0 225.332 2.274 20 30 BEEDRO CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C#N)cc1 ZINC000872127244 589876576 /nfs/dbraw/zinc/87/65/76/589876576.db2.gz RLGHTXJIRMFJBG-QEJZJMRPSA-N 1 0 244.338 2.370 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCO[C@@H](C)C2)CC1 ZINC000872139440 589880272 /nfs/dbraw/zinc/88/02/72/589880272.db2.gz FHNXTORRLMOHNO-XUXIUFHCSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CC1 ZINC000872139192 589880428 /nfs/dbraw/zinc/88/04/28/589880428.db2.gz HVWSWHIZFVSEQR-IHRRRGAJSA-N 1 0 233.355 2.480 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000872140015 589880879 /nfs/dbraw/zinc/88/08/79/589880879.db2.gz VPCSBZVHLVNVDS-JHJVBQTASA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000872140448 589881063 /nfs/dbraw/zinc/88/10/63/589881063.db2.gz NRIITCQQJZOZSE-TUVASFSCSA-N 1 0 234.387 2.251 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H](CC)COC)CC1 ZINC000872140394 589881346 /nfs/dbraw/zinc/88/13/46/589881346.db2.gz LXIXNUIJRNUCDF-AVGNSLFASA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000872140621 589881619 /nfs/dbraw/zinc/88/16/19/589881619.db2.gz UEPQHJMWRHDVNP-AAVRWANBSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](COC)C(C)C)CC1 ZINC000872140616 589881627 /nfs/dbraw/zinc/88/16/27/589881627.db2.gz UATZRKOVIBUMIM-MGPQQGTHSA-N 1 0 223.360 2.439 20 30 BEEDRO N#CCCNC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872236631 589898282 /nfs/dbraw/zinc/89/82/82/589898282.db2.gz SOFRNSKLVKAJIE-CQSZACIVSA-N 1 0 235.375 2.287 20 30 BEEDRO N#CCCNC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872236630 589898381 /nfs/dbraw/zinc/89/83/81/589898381.db2.gz SOFRNSKLVKAJIE-AWEZNQCLSA-N 1 0 235.375 2.287 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]CC2(O)CCCC2)CC1 ZINC000872250292 589899909 /nfs/dbraw/zinc/89/99/09/589899909.db2.gz FYDWSXLJKKJBSP-JOCQHMNTSA-N 1 0 221.344 2.073 20 30 BEEDRO CC[C@@H]([NH2+]CCC#N)[C@H](O)c1ccccc1 ZINC000872252922 589900663 /nfs/dbraw/zinc/90/06/63/589900663.db2.gz WSPNNOGWVHALFS-CHWSQXEVSA-N 1 0 218.300 2.002 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872319924 589911641 /nfs/dbraw/zinc/91/16/41/589911641.db2.gz SWKZGZQCVSJLBP-UHFFFAOYSA-N 1 0 231.343 2.300 20 30 BEEDRO C[C@@H]1C(N=Nc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C ZINC000872326459 589913032 /nfs/dbraw/zinc/91/30/32/589913032.db2.gz JWEVYLNCTGHJGS-SECBINFHSA-N 1 0 248.286 2.087 20 30 BEEDRO Cc1ccc(N=NC2CC[N@H+](C)[C@H]2C)cc1 ZINC000872325345 589913170 /nfs/dbraw/zinc/91/31/70/589913170.db2.gz NKYUXMMAKFDXTI-NSHDSACASA-N 1 0 217.316 2.487 20 30 BEEDRO CCNc1ccccc1C=[NH+]N[C@@H](C)CC#N ZINC000872358935 589918964 /nfs/dbraw/zinc/91/89/64/589918964.db2.gz ZRUKCXCECUBKIL-NSHDSACASA-N 1 0 230.315 2.344 20 30 BEEDRO C[C@@H]1C(=NOCc2ccc(F)cc2)CC[N@H+]1C ZINC000872365400 589920356 /nfs/dbraw/zinc/92/03/56/589920356.db2.gz PGWXQAINBGKAKN-SNVBAGLBSA-N 1 0 236.290 2.422 20 30 BEEDRO CCNc1ccccc1C=[NH+]N[C@H]1CCCOC1 ZINC000872365846 589921365 /nfs/dbraw/zinc/92/13/65/589921365.db2.gz HPTKQEWLQITTNI-ZDUSSCGKSA-N 1 0 247.342 2.221 20 30 BEEDRO CCC(CC)CN[NH+]=Cc1c(C)ccnc1N ZINC000872367212 589921697 /nfs/dbraw/zinc/92/16/97/589921697.db2.gz SFZHEANCVMGERJ-UHFFFAOYSA-N 1 0 234.347 2.332 20 30 BEEDRO CNc1ccccc1C=[NH+]OC[C@H]1CCOC1 ZINC000872367737 589922103 /nfs/dbraw/zinc/92/21/03/589922103.db2.gz GJJMNKUBUFSNHS-NSHDSACASA-N 1 0 234.299 2.115 20 30 BEEDRO C1CN(N=C2CCCC[C@H]2[NH+]2CCCCC2)C1 ZINC000872396297 589932953 /nfs/dbraw/zinc/93/29/53/589932953.db2.gz BELVINCQNZWXAG-CQSZACIVSA-N 1 0 235.375 2.477 20 30 BEEDRO CN1CCCc2cc(C=[NH+]N3CCC3)ccc21 ZINC000872396614 589933257 /nfs/dbraw/zinc/93/32/57/589933257.db2.gz KKFGFNRHTZLPGF-UHFFFAOYSA-N 1 0 229.327 2.109 20 30 BEEDRO C#CC[C@@H](CCOC)Nc1cc[nH+]cc1C1CC1 ZINC000872619289 589956913 /nfs/dbraw/zinc/95/69/13/589956913.db2.gz CMEIDJQQNVWIRD-ZDUSSCGKSA-N 1 0 244.338 2.221 20 30 BEEDRO C=CCCCCCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873127177 589985561 /nfs/dbraw/zinc/98/55/61/589985561.db2.gz NXHKUVCTYAEUGR-CYBMUJFWSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]Cc1cnn(CC)n1 ZINC000873151351 589986992 /nfs/dbraw/zinc/98/69/92/589986992.db2.gz GJNJKGPPLHMURH-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO C=CCOc1cccc(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000873177227 589990294 /nfs/dbraw/zinc/99/02/94/589990294.db2.gz ZFVJRXLZDCHHAL-HDJSIYSDSA-N 1 0 247.338 2.112 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC000873198426 589992104 /nfs/dbraw/zinc/99/21/04/589992104.db2.gz JTQCTAJLENEBMW-JOCQHMNTSA-N 1 0 214.312 2.363 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC000873198352 589992200 /nfs/dbraw/zinc/99/22/00/589992200.db2.gz GAEJYDOFBGITHM-MQMHXKEQSA-N 1 0 214.312 2.363 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C)nn2)CC1 ZINC000873198173 589992346 /nfs/dbraw/zinc/99/23/46/589992346.db2.gz VWBMTCHZWRRSAW-JOCQHMNTSA-N 1 0 229.327 2.067 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cnc(C)n2C)CC1 ZINC000873197850 589992374 /nfs/dbraw/zinc/99/23/74/589992374.db2.gz GCUAPZRAEHXLEV-JOCQHMNTSA-N 1 0 231.343 2.010 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCCC ZINC000876546812 590207451 /nfs/dbraw/zinc/20/74/51/590207451.db2.gz WYSIFPBIBSHFBH-SNVBAGLBSA-N 1 0 232.755 2.153 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cccc(C)c1 ZINC000876545634 590213665 /nfs/dbraw/zinc/21/36/65/590213665.db2.gz RAKSOIKETISYPN-NSHDSACASA-N 1 0 238.718 2.403 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccc(C)cc1 ZINC000876545853 590213691 /nfs/dbraw/zinc/21/36/91/590213691.db2.gz WIWCRMQBHOVAFK-LLVKDONJSA-N 1 0 238.718 2.403 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCCCC1 ZINC000876549499 590214621 /nfs/dbraw/zinc/21/46/21/590214621.db2.gz FEKVLKJNPDIGQB-LLVKDONJSA-N 1 0 244.766 2.249 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](CC)C1 ZINC000876602639 590220987 /nfs/dbraw/zinc/22/09/87/590220987.db2.gz CWLATZDTRXTHIX-WDEREUQCSA-N 1 0 244.766 2.105 20 30 BEEDRO CCOC(=O)C[N@H+](C[C@@H](C)CCC#N)C(C)C ZINC000876625499 590223419 /nfs/dbraw/zinc/22/34/19/590223419.db2.gz WTODSDOBIYOFBO-LBPRGKRZSA-N 1 0 240.347 2.200 20 30 BEEDRO C#CCCCCCC[N@H+]1CCC[C@H]1CO ZINC000876636427 590224314 /nfs/dbraw/zinc/22/43/14/590224314.db2.gz XVWGXWKLYPKHNJ-ZDUSSCGKSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@@H]1CC ZINC000876695826 590229568 /nfs/dbraw/zinc/22/95/68/590229568.db2.gz ISXXBUQUSCFAQX-DCAQKATOSA-N 1 0 244.766 2.151 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@](C)(CC)C1 ZINC000876693095 590230851 /nfs/dbraw/zinc/23/08/51/590230851.db2.gz PXAWQTWRTVIQOW-JQWIXIFHSA-N 1 0 244.766 2.105 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC(C)(C)O ZINC000876736074 590234582 /nfs/dbraw/zinc/23/45/82/590234582.db2.gz FJGJFYWEKMCWHW-UHFFFAOYSA-N 1 0 211.349 2.273 20 30 BEEDRO C#CCCCCCC[N@@H+](C)Cc1cn[nH]c1 ZINC000876739650 590234812 /nfs/dbraw/zinc/23/48/12/590234812.db2.gz PEQIZZCJIDXBPY-UHFFFAOYSA-N 1 0 219.332 2.425 20 30 BEEDRO C#CC[N@H+](CCC[C@H]1CCO1)C1CCCC1 ZINC000876784300 590240280 /nfs/dbraw/zinc/24/02/80/590240280.db2.gz ARKAZXSLKLYYDD-AWEZNQCLSA-N 1 0 221.344 2.433 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(=O)[nH]c1)C1CCCC1 ZINC000876784701 590240616 /nfs/dbraw/zinc/24/06/16/590240616.db2.gz LOGUFHZNHKHGTL-UHFFFAOYSA-N 1 0 230.311 2.165 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CC(C)C ZINC000876882689 590253100 /nfs/dbraw/zinc/25/31/00/590253100.db2.gz OFQRMDREPYIDIW-UWVGGRQHSA-N 1 0 232.755 2.007 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)c1ccccc1 ZINC000876889744 590254124 /nfs/dbraw/zinc/25/41/24/590254124.db2.gz PMXBCXNKXROKHW-OCCSQVGLSA-N 1 0 232.327 2.249 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCC1CC1 ZINC000876897816 590255048 /nfs/dbraw/zinc/25/50/48/590255048.db2.gz GHQJSDGTEWMHIV-KOLCDFICSA-N 1 0 244.766 2.151 20 30 BEEDRO CCC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876894251 590255249 /nfs/dbraw/zinc/25/52/49/590255249.db2.gz QZYKQBQEYUILEX-UHFFFAOYSA-N 1 0 209.680 2.106 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)[C@@H](C)CC ZINC000876955832 590260785 /nfs/dbraw/zinc/26/07/85/590260785.db2.gz CKICSYZSWCAOIG-UWVGGRQHSA-N 1 0 232.755 2.103 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)CC ZINC000876961087 590261567 /nfs/dbraw/zinc/26/15/67/590261567.db2.gz CZPYVVDRQGCRNV-UWVGGRQHSA-N 1 0 246.782 2.397 20 30 BEEDRO C#CCCCCCC[NH2+]CC(=O)N(CC)CC ZINC000876985763 590265258 /nfs/dbraw/zinc/26/52/58/590265258.db2.gz OIAYHACPKGECRM-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO CC(C)C[C@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000876987819 590265348 /nfs/dbraw/zinc/26/53/48/590265348.db2.gz JVHDGCGNLGGURL-BPCQOVAHSA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876988664 590265568 /nfs/dbraw/zinc/26/55/68/590265568.db2.gz IPPRXBMSSWNBDA-VXGBXAGGSA-N 1 0 244.354 2.021 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000876988327 590265630 /nfs/dbraw/zinc/26/56/30/590265630.db2.gz BWRHYVQFWBLJJA-ZDUSSCGKSA-N 1 0 240.391 2.463 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000876991218 590266455 /nfs/dbraw/zinc/26/64/55/590266455.db2.gz UVGKAHNWXGWPIS-TXEJJXNPSA-N 1 0 238.375 2.222 20 30 BEEDRO C=C(Br)C[NH2+]CCC[C@H]1CCO1 ZINC000877020516 590269854 /nfs/dbraw/zinc/26/98/54/590269854.db2.gz WNGBEJQUJPUVBM-VIFPVBQESA-N 1 0 234.137 2.054 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(O)CCCC1 ZINC000877036949 590272493 /nfs/dbraw/zinc/27/24/93/590272493.db2.gz WWILNQROFNDUSK-UHFFFAOYSA-N 1 0 223.360 2.465 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cc(OC)cnc1F ZINC000877037233 590272619 /nfs/dbraw/zinc/27/26/19/590272619.db2.gz YGDIQNCMSBTWBJ-VIFPVBQESA-N 1 0 224.279 2.284 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C)[C@@H](CO)SC ZINC000877048390 590274376 /nfs/dbraw/zinc/27/43/76/590274376.db2.gz JSCNORVOGCDAKJ-CHWSQXEVSA-N 1 0 243.416 2.272 20 30 BEEDRO C#CCCC[NH2+]Cc1nc2ccccc2o1 ZINC000877070029 590277189 /nfs/dbraw/zinc/27/71/89/590277189.db2.gz JREZHKYALKMYQA-UHFFFAOYSA-N 1 0 214.268 2.331 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H](C)CCO ZINC000877068085 590277327 /nfs/dbraw/zinc/27/73/27/590277327.db2.gz QGSDCHORTPENQH-CYBMUJFWSA-N 1 0 211.349 2.178 20 30 BEEDRO C#CCCC[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000877070478 590277514 /nfs/dbraw/zinc/27/75/14/590277514.db2.gz OUYMAHLPFBQHMV-GFCCVEGCSA-N 1 0 232.327 2.024 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](CO)C(C)C ZINC000877074944 590278421 /nfs/dbraw/zinc/27/84/21/590278421.db2.gz VNYOPMICKDVRAJ-CYBMUJFWSA-N 1 0 211.349 2.177 20 30 BEEDRO C#CCCCCCC[NH2+]CCNc1cnccn1 ZINC000877084261 590280639 /nfs/dbraw/zinc/28/06/39/590280639.db2.gz FLXDYORFYDFWQS-UHFFFAOYSA-N 1 0 246.358 2.062 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+]C2CC=CC2)c1 ZINC000877093262 590281568 /nfs/dbraw/zinc/28/15/68/590281568.db2.gz HDVHLUOESURXGF-UHFFFAOYSA-N 1 0 233.702 2.415 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(F)n1 ZINC000877115999 590288530 /nfs/dbraw/zinc/28/85/30/590288530.db2.gz ZQRIDJHNCXOMDB-SNVBAGLBSA-N 1 0 221.279 2.250 20 30 BEEDRO C=CCCCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000877126812 590290126 /nfs/dbraw/zinc/29/01/26/590290126.db2.gz TXDQXYOMYZTEBT-GFCCVEGCSA-N 1 0 224.348 2.073 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000877150181 590292685 /nfs/dbraw/zinc/29/26/85/590292685.db2.gz ZHNAHSZDDXHYGB-JTQLQIEISA-N 1 0 240.734 2.363 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@@H](C)N(C)C ZINC000877149831 590292952 /nfs/dbraw/zinc/29/29/52/590292952.db2.gz HROMBXICLUFEQR-CYBMUJFWSA-N 1 0 210.365 2.110 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1csc(C)c1 ZINC000877204495 590300990 /nfs/dbraw/zinc/30/09/90/590300990.db2.gz GJEOLDRVEQHCPO-VIFPVBQESA-N 1 0 244.747 2.465 20 30 BEEDRO N#Cc1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000877233195 590301959 /nfs/dbraw/zinc/30/19/59/590301959.db2.gz NOCOJXJYMJBSLO-TXEJJXNPSA-N 1 0 243.310 2.014 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000877303812 590308008 /nfs/dbraw/zinc/30/80/08/590308008.db2.gz NEYKOKROXSZGQV-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](C)[NH2+]CC ZINC000877304384 590308306 /nfs/dbraw/zinc/30/83/06/590308306.db2.gz ZOJAVGWSYQWFDC-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO COc1c(C)cnc(C[NH2+]CCCC#N)c1C ZINC000877304085 590310978 /nfs/dbraw/zinc/31/09/78/590310978.db2.gz SKAYLJLWIPJFFN-UHFFFAOYSA-N 1 0 233.315 2.100 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000877344746 590318203 /nfs/dbraw/zinc/31/82/03/590318203.db2.gz NMPMELHGRNZOFV-VXGBXAGGSA-N 1 0 232.331 2.486 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1c(C)cccc1OC ZINC000877339157 590318288 /nfs/dbraw/zinc/31/82/88/590318288.db2.gz TUZSDFBBIODRPZ-GFCCVEGCSA-N 1 0 235.327 2.030 20 30 BEEDRO CC[C@H](CC#N)[NH2+]Cc1ccc(C)cc1O ZINC000877365368 590319529 /nfs/dbraw/zinc/31/95/29/590319529.db2.gz PVPKPISCDVNLHX-GFCCVEGCSA-N 1 0 218.300 2.483 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CCn2ccnc2C1 ZINC000877429678 590326150 /nfs/dbraw/zinc/32/61/50/590326150.db2.gz KTPCACAABAXSKS-AWEZNQCLSA-N 1 0 245.370 2.371 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(Cl)nn1 ZINC000877463834 590332180 /nfs/dbraw/zinc/33/21/80/590332180.db2.gz DNKUPBHJXZTWIF-UHFFFAOYSA-N 1 0 211.696 2.138 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(C)OCCCO1 ZINC000877474954 590335497 /nfs/dbraw/zinc/33/54/97/590335497.db2.gz KIQADOTZLFFECR-UHFFFAOYSA-N 1 0 239.359 2.313 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(C)cc1O ZINC000877474323 590335752 /nfs/dbraw/zinc/33/57/52/590335752.db2.gz ZYIOMKDZZSNFPT-UHFFFAOYSA-N 1 0 235.327 2.335 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc(C)cc1O ZINC000877480473 590336948 /nfs/dbraw/zinc/33/69/48/590336948.db2.gz WOPKLCOXWMCPQF-LLVKDONJSA-N 1 0 203.285 2.154 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C)cc1O ZINC000877480474 590336961 /nfs/dbraw/zinc/33/69/61/590336961.db2.gz WOPKLCOXWMCPQF-NSHDSACASA-N 1 0 203.285 2.154 20 30 BEEDRO C#CCCCCCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000877486470 590338453 /nfs/dbraw/zinc/33/84/53/590338453.db2.gz NUSFBPZOAJPEAJ-ZDUSSCGKSA-N 1 0 223.360 2.273 20 30 BEEDRO COc1ccc(C[NH2+]C[C@H](C)CCC#N)c(O)c1 ZINC000877494684 590340591 /nfs/dbraw/zinc/34/05/91/590340591.db2.gz YZYIBHWOLMLPCU-LLVKDONJSA-N 1 0 248.326 2.430 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(C)cccc1OC ZINC000877514943 590342944 /nfs/dbraw/zinc/34/29/44/590342944.db2.gz YLCKHKVYUMSMFT-LLVKDONJSA-N 1 0 203.285 2.115 20 30 BEEDRO C#CCCCCCC[N@@H+]1CCOCC12CC2 ZINC000877503893 590343083 /nfs/dbraw/zinc/34/30/83/590343083.db2.gz COHUOKJJEBZETH-UHFFFAOYSA-N 1 0 221.344 2.435 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)Cc1ccnc(OC)c1)C(C)C ZINC000877513231 590343978 /nfs/dbraw/zinc/34/39/78/590343978.db2.gz OOKSNKZAAPVEMX-TZMCWYRMSA-N 1 0 246.354 2.269 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000877512771 590344224 /nfs/dbraw/zinc/34/42/24/590344224.db2.gz AVURPKCSRKXAFT-JQWIXIFHSA-N 1 0 217.316 2.156 20 30 BEEDRO C#C[C@@H](C)[NH2+]CCc1cc(C)cc(C)c1 ZINC000877514396 590344525 /nfs/dbraw/zinc/34/45/25/590344525.db2.gz MTKGFVNSFVNKHB-CYBMUJFWSA-N 1 0 201.313 2.457 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(F)F)nc1 ZINC000877514689 590346236 /nfs/dbraw/zinc/34/62/36/590346236.db2.gz TYUGVNJTDVILNJ-QMMMGPOBSA-N 1 0 210.227 2.131 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1cc(C#N)cnc1Cl ZINC000877551651 590355223 /nfs/dbraw/zinc/35/52/23/590355223.db2.gz IUIHVTZMFRLZOK-QMMMGPOBSA-N 1 0 241.697 2.444 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1nc(Cl)cs1 ZINC000877575600 590363680 /nfs/dbraw/zinc/36/36/80/590363680.db2.gz YYYURFVPMNXXEF-MRVPVSSYSA-N 1 0 246.763 2.213 20 30 BEEDRO Cc1cccc(O)c1C[NH2+]CC1(C#N)CCC1 ZINC000877593458 590369028 /nfs/dbraw/zinc/36/90/28/590369028.db2.gz ACCAGYRNARWYLS-UHFFFAOYSA-N 1 0 230.311 2.484 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000877595812 590370553 /nfs/dbraw/zinc/37/05/53/590370553.db2.gz IIGIOQGPECIHSL-KGLIPLIRSA-N 1 0 223.360 2.415 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000877599926 590370867 /nfs/dbraw/zinc/37/08/67/590370867.db2.gz HQVXTRRAXBWFPI-PEGIJTEDSA-N 1 0 247.729 2.495 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1nn(CC)nc1C ZINC000877598856 590371333 /nfs/dbraw/zinc/37/13/33/590371333.db2.gz VDLZNKLYCOYMSG-UHFFFAOYSA-N 1 0 248.374 2.280 20 30 BEEDRO C#CC1CC[NH+](C[C@H](CCC)OC)CC1 ZINC000877606486 590372066 /nfs/dbraw/zinc/37/20/66/590372066.db2.gz CKHCXFDDZDDXJA-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@](C)(OC)C2CC2)C1 ZINC000877616912 590374625 /nfs/dbraw/zinc/37/46/25/590374625.db2.gz INJYMGMBSMFAOT-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@](C)(CC)OC)C1 ZINC000877617746 590375364 /nfs/dbraw/zinc/37/53/64/590375364.db2.gz UMWVVXBJGROEJL-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000877631404 590378254 /nfs/dbraw/zinc/37/82/54/590378254.db2.gz IMHNZIWMLWVDAL-KGLIPLIRSA-N 1 0 235.371 2.463 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000877629544 590378473 /nfs/dbraw/zinc/37/84/73/590378473.db2.gz VEPBXHITUADZGU-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C#N)CC1)C1CCOCC1 ZINC000877635968 590380411 /nfs/dbraw/zinc/38/04/11/590380411.db2.gz JEQFZSVHSMNRAH-ZALBZXLWSA-N 1 0 246.354 2.087 20 30 BEEDRO N#Cc1cnc(Cl)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000877635678 590380730 /nfs/dbraw/zinc/38/07/30/590380730.db2.gz BGERMLNWDZKYTG-QWRGUYRKSA-N 1 0 247.729 2.448 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](OC)[C@H](C)CC)C1 ZINC000877649616 590383705 /nfs/dbraw/zinc/38/37/05/590383705.db2.gz CFUSBZBRWOCTGG-MGPQQGTHSA-N 1 0 223.360 2.393 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000877651425 590385086 /nfs/dbraw/zinc/38/50/86/590385086.db2.gz YCBZENMGSDRTBQ-CYBMUJFWSA-N 1 0 229.323 2.024 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]CC1CCSCC1 ZINC000877659915 590386596 /nfs/dbraw/zinc/38/65/96/590386596.db2.gz AHIHFZUHCJNICB-CYBMUJFWSA-N 1 0 241.400 2.148 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C1CCC(C#N)CC1 ZINC000877659928 590386601 /nfs/dbraw/zinc/38/66/01/590386601.db2.gz AOBNRSCRVMRBPF-ROKHWSDSSA-N 1 0 234.343 2.087 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@H]1CCC12CCC2 ZINC000877660798 590386901 /nfs/dbraw/zinc/38/69/01/590386901.db2.gz QUWDCUXQHBQUFT-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000877681600 590390453 /nfs/dbraw/zinc/39/04/53/590390453.db2.gz INYPVXMITXXXGU-RJGDLWOPSA-N 1 0 246.354 2.082 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC(C)(C)CC[C@H]1O ZINC000877683391 590390790 /nfs/dbraw/zinc/39/07/90/590390790.db2.gz ACPIKMUDYISXPN-JHJVBQTASA-N 1 0 238.375 2.455 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)o1 ZINC000877742084 590408644 /nfs/dbraw/zinc/40/86/44/590408644.db2.gz XLMPRVZKCWCSNC-GHMZBOCLSA-N 1 0 248.351 2.336 20 30 BEEDRO CC1(C[NH+]2CCN(CCC#N)CC2)CCCC1 ZINC000877747802 590412571 /nfs/dbraw/zinc/41/25/71/590412571.db2.gz DFYNBTNRTHCWSQ-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)c1ccnn1C ZINC000877761175 590419377 /nfs/dbraw/zinc/41/93/77/590419377.db2.gz CSHDYRFMJINGRA-VOMCLLRMSA-N 1 0 232.331 2.153 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccnn1C ZINC000877762170 590419520 /nfs/dbraw/zinc/41/95/20/590419520.db2.gz ARFOPPQIUHAGNT-MNOVXSKESA-N 1 0 220.320 2.011 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000877770024 590421588 /nfs/dbraw/zinc/42/15/88/590421588.db2.gz ATBBCXBUASLSPX-UPJWGTAASA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]C1CCC(C#N)CC1 ZINC000877778347 590423147 /nfs/dbraw/zinc/42/31/47/590423147.db2.gz MWEPRVGTHKNYNF-GMKTYKIGSA-N 1 0 224.348 2.208 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000877796935 590424714 /nfs/dbraw/zinc/42/47/14/590424714.db2.gz NKJWIJFZQMJKIZ-CHWSQXEVSA-N 1 0 238.375 2.409 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(COC)on2)CC1 ZINC000877834778 590430858 /nfs/dbraw/zinc/43/08/58/590430858.db2.gz YUFMLESXTFNWBS-HAQNSBGRSA-N 1 0 248.326 2.103 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](C)COC)CC1 ZINC000877834616 590430902 /nfs/dbraw/zinc/43/09/02/590430902.db2.gz WELCGPAAKNTPLM-JHJVBQTASA-N 1 0 209.333 2.051 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836490 590431695 /nfs/dbraw/zinc/43/16/95/590431695.db2.gz YNKRQBAWSQUSAV-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+](CC)CC(C)C ZINC000877959222 590446443 /nfs/dbraw/zinc/44/64/43/590446443.db2.gz SMNBDLYWVBBSGI-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)OCC)C1 ZINC000877963404 590459149 /nfs/dbraw/zinc/45/91/49/590459149.db2.gz KXOVHFBGLVBNCH-VXGBXAGGSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[C@@H](C)[N@@H+](CCC)CC(=O)NCCC ZINC000877976604 590463744 /nfs/dbraw/zinc/46/37/44/590463744.db2.gz WUQLQECHTLNXPV-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+](C)CCC(C)C ZINC000877976753 590464403 /nfs/dbraw/zinc/46/44/03/590464403.db2.gz ZDWKTQSQVSNEPP-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO C#CCN(CC(C)=O)[C@@H]1CCc2ccccc21 ZINC000877991499 590468133 /nfs/dbraw/zinc/46/81/33/590468133.db2.gz QUHCKYHABVJLFF-OAHLLOKOSA-N 1 0 227.307 2.198 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000878018914 590473244 /nfs/dbraw/zinc/47/32/44/590473244.db2.gz NOWJDIKBKPKXEE-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000878021239 590473376 /nfs/dbraw/zinc/47/33/76/590473376.db2.gz AFKLKLBHYOYTMA-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(n2cccn2)CC1 ZINC000878089583 590490866 /nfs/dbraw/zinc/49/08/66/590490866.db2.gz IYJOVGKWINVJBT-LBPRGKRZSA-N 1 0 219.332 2.485 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000878093325 590491528 /nfs/dbraw/zinc/49/15/28/590491528.db2.gz IEBMXGCRFALWJH-NEPJUHHUSA-N 1 0 249.310 2.187 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000878093328 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BEEDRO COCCCC[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433482 590769347 /nfs/dbraw/zinc/76/93/47/590769347.db2.gz UEMWMCUHOXMWOO-UHFFFAOYSA-N 1 0 246.354 2.459 20 30 BEEDRO C=CCCCCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580720 590802377 /nfs/dbraw/zinc/80/23/77/590802377.db2.gz UQVCPWGFZQNYSO-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C=C(C)C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000879585401 590823690 /nfs/dbraw/zinc/82/36/90/590823690.db2.gz XFJDHTOQHNXWGS-UHFFFAOYSA-N 1 0 241.338 2.256 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627544 590840390 /nfs/dbraw/zinc/84/03/90/590840390.db2.gz JWATVYDZRFYYEL-GFCCVEGCSA-N 1 0 223.360 2.271 20 30 BEEDRO C#CCOCCN[C@@H](CF)c1ccc(F)cc1 ZINC000879661401 590844588 /nfs/dbraw/zinc/84/45/88/590844588.db2.gz BILHVWZBUNKZAZ-ZDUSSCGKSA-N 1 0 239.265 2.076 20 30 BEEDRO C[C@@H]([NH2+]CCCC(C)(C)C#N)c1ccnn1C ZINC000879684431 590847172 /nfs/dbraw/zinc/84/71/72/590847172.db2.gz JLZJKKLXMNKFKM-LLVKDONJSA-N 1 0 234.347 2.401 20 30 BEEDRO C[C@@H]([NH2+]CCC(C)(C)C#N)c1ccnn1C ZINC000879685794 590848845 /nfs/dbraw/zinc/84/88/45/590848845.db2.gz MEAQHZBCOWXALD-SNVBAGLBSA-N 1 0 220.320 2.011 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000879715563 590853851 /nfs/dbraw/zinc/85/38/51/590853851.db2.gz ZCENZUKYHJLCGA-LLVKDONJSA-N 1 0 244.294 2.128 20 30 BEEDRO COCC#CC[N@H+](C)Cc1ccc2cc[nH]c2c1 ZINC000879724391 590857146 /nfs/dbraw/zinc/85/71/46/590857146.db2.gz IROIUVYEACJFJE-UHFFFAOYSA-N 1 0 242.322 2.250 20 30 BEEDRO C=CCOCC[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879735043 590858006 /nfs/dbraw/zinc/85/80/06/590858006.db2.gz RSEUWJBZMKZIPM-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@@H]1c1cncc(C)c1 ZINC000879752218 590863153 /nfs/dbraw/zinc/86/31/53/590863153.db2.gz NWIBGIPCHKGXSL-OAHLLOKOSA-N 1 0 244.338 2.177 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCN(C)c2ncccc2C1 ZINC000879783439 590868143 /nfs/dbraw/zinc/86/81/43/590868143.db2.gz QJRONJWPQZZGMO-LBPRGKRZSA-N 1 0 231.343 2.298 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000879963709 590898501 /nfs/dbraw/zinc/89/85/01/590898501.db2.gz NGYOHWBLKRMMBO-JHJVBQTASA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](C(F)(F)F)O[C@H](C)C1 ZINC000880054654 590914961 /nfs/dbraw/zinc/91/49/61/590914961.db2.gz JTLZGLQWPKMKOR-BDAKNGLRSA-N 1 0 223.238 2.214 20 30 BEEDRO Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)CCC#N ZINC000880108810 590927480 /nfs/dbraw/zinc/92/74/80/590927480.db2.gz JLLYOHFOUJLKFA-GXSJLCMTSA-N 1 0 218.304 2.128 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148515 590946222 /nfs/dbraw/zinc/94/62/22/590946222.db2.gz FYIYAZHVEKVSDL-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@]2(C(=O)OC)CCC[C@H]12 ZINC000880183034 590951187 /nfs/dbraw/zinc/95/11/87/590951187.db2.gz JNPCEISAOYBKEH-GXTWGEPZSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CC[C@@H](C)[N@H+]1CC[C@@]2(C(=O)OC)CCC[C@@H]12 ZINC000880184781 590952991 /nfs/dbraw/zinc/95/29/91/590952991.db2.gz SJQNUVVJYNNGQB-BZPMIXESSA-N 1 0 237.343 2.369 20 30 BEEDRO N#Cc1c(F)cccc1CN1CC[C@H](CF)C1 ZINC000880299921 590995368 /nfs/dbraw/zinc/99/53/68/590995368.db2.gz MARFMVFVHFZTNG-SNVBAGLBSA-N 1 0 236.265 2.489 20 30 BEEDRO C=CCCCC[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436599 591038414 /nfs/dbraw/zinc/03/84/14/591038414.db2.gz YAYAVMCZGUCUJB-CHWSQXEVSA-N 1 0 227.348 2.078 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880437526 591040600 /nfs/dbraw/zinc/04/06/00/591040600.db2.gz MFZYLAIXULUWCE-ZIAGYGMSSA-N 1 0 241.375 2.469 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2ccccc2C)CC1 ZINC000880476958 591052985 /nfs/dbraw/zinc/05/29/85/591052985.db2.gz KJSAWYBENPAFDD-UHFFFAOYSA-N 1 0 243.350 2.345 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2csc(C)c2)CC1 ZINC000880482714 591055340 /nfs/dbraw/zinc/05/53/40/591055340.db2.gz OWUBPLIBNYRKFR-UHFFFAOYSA-N 1 0 249.379 2.407 20 30 BEEDRO C#CCC1(O)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC000880482944 591056039 /nfs/dbraw/zinc/05/60/39/591056039.db2.gz WGVXKOCCEJRSGO-UHFFFAOYSA-N 1 0 235.371 2.273 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880508807 591081017 /nfs/dbraw/zinc/08/10/17/591081017.db2.gz PNSULGAMPCWDEF-OLZOCXBDSA-N 1 0 222.332 2.372 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000880516357 591083830 /nfs/dbraw/zinc/08/38/30/591083830.db2.gz RNGGXHJJXLWKOF-FQUUOJAGSA-N 1 0 234.343 2.370 20 30 BEEDRO C=C(C)C[N@@H+](CCO)Cc1ccc(OC)cc1 ZINC000880570314 591098008 /nfs/dbraw/zinc/09/80/08/591098008.db2.gz SPRBSRGHQMZXLA-UHFFFAOYSA-N 1 0 235.327 2.066 20 30 BEEDRO C=C(C)CC[N@@H+](CCO)Cc1ccc(OC)cc1 ZINC000880572207 591098716 /nfs/dbraw/zinc/09/87/16/591098716.db2.gz MOLRPVHZTSCYKJ-UHFFFAOYSA-N 1 0 249.354 2.456 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+]CCCF ZINC000128902431 591176323 /nfs/dbraw/zinc/17/63/23/591176323.db2.gz NFUYZGKDCXAFRB-UHFFFAOYSA-N 1 0 237.322 2.053 20 30 BEEDRO CC[NH+]1CCC(Nc2ccc(C)nc2C#N)CC1 ZINC000881775328 591270612 /nfs/dbraw/zinc/27/06/12/591270612.db2.gz QOVATAIXWXZZBT-UHFFFAOYSA-N 1 0 244.342 2.158 20 30 BEEDRO CC[N@H+](CCNc1ccc(C)nc1C#N)C(C)C ZINC000881905818 591277157 /nfs/dbraw/zinc/27/71/57/591277157.db2.gz XUGJONKGZCETLA-UHFFFAOYSA-N 1 0 246.358 2.404 20 30 BEEDRO CCCCCCC[NH2+]CC1(O)CCOCC1 ZINC000212205954 591327901 /nfs/dbraw/zinc/32/79/01/591327901.db2.gz LCJLGABNUKIPNL-UHFFFAOYSA-N 1 0 229.364 2.088 20 30 BEEDRO N#CCCC[N@H+]1CC[C@@H](C(F)(F)F)C1 ZINC000308369108 631235444 /nfs/dbraw/zinc/23/54/44/631235444.db2.gz OQKYOCZASGSQCP-MRVPVSSYSA-N 1 0 206.211 2.174 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccoc1 ZINC000130001084 591428959 /nfs/dbraw/zinc/42/89/59/591428959.db2.gz NSAHNWFOQNWDIC-JTQLQIEISA-N 1 0 209.314 2.297 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130661898 591494912 /nfs/dbraw/zinc/49/49/12/591494912.db2.gz RJBHPVGKSUJHFT-UHFFFAOYSA-N 1 0 223.364 2.223 20 30 BEEDRO C#CCCCC[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000130744037 591514486 /nfs/dbraw/zinc/51/44/86/591514486.db2.gz SJWSQPXKQZEZRU-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCC[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000130744728 591514882 /nfs/dbraw/zinc/51/48/82/591514882.db2.gz SJWSQPXKQZEZRU-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc2c1CCOC2 ZINC000883086462 591536558 /nfs/dbraw/zinc/53/65/58/591536558.db2.gz WNRGMCYXDAMCKH-UHFFFAOYSA-N 1 0 230.311 2.153 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccccc1C(C)C ZINC000883125475 591544854 /nfs/dbraw/zinc/54/48/54/591544854.db2.gz KFLNXWIGKBEUFJ-AWEZNQCLSA-N 1 0 231.339 2.284 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CO[C@H](CC)C2)cc1 ZINC000883132497 591546701 /nfs/dbraw/zinc/54/67/01/591546701.db2.gz SWFAABSZMDAJLW-LSDHHAIUSA-N 1 0 229.323 2.325 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H](C)c1ccc(F)cc1 ZINC000883157062 591556446 /nfs/dbraw/zinc/55/64/46/591556446.db2.gz LGVXKMYHFFFURA-DOMZBBRYSA-N 1 0 249.329 2.293 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000883164739 591556641 /nfs/dbraw/zinc/55/66/41/591556641.db2.gz NLDSJTMBJHLMII-IHRRRGAJSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCO1 ZINC000883171837 591560613 /nfs/dbraw/zinc/56/06/13/591560613.db2.gz KEWKJDOFYSFSPU-ZIAGYGMSSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCO1 ZINC000883171835 591561020 /nfs/dbraw/zinc/56/10/20/591561020.db2.gz KEWKJDOFYSFSPU-KGLIPLIRSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCC[C@H]([NH2+]CCOCC)[C@H]1CCCO1 ZINC000883173934 591562654 /nfs/dbraw/zinc/56/26/54/591562654.db2.gz XFJCNGIAIQQQGQ-QWHCGFSZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCCO1 ZINC000883187715 591567178 /nfs/dbraw/zinc/56/71/78/591567178.db2.gz UNAGROGHCYVZTA-IHRRRGAJSA-N 1 0 239.359 2.269 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1nc(C(C)C)c[nH]1 ZINC000883192332 591568274 /nfs/dbraw/zinc/56/82/74/591568274.db2.gz WYMGDFSZRCRYBE-LBPRGKRZSA-N 1 0 249.358 2.051 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1c[nH]nc1C)[C@H]1CCCO1 ZINC000883205532 591572849 /nfs/dbraw/zinc/57/28/49/591572849.db2.gz YQGROCVLFGBCPD-UONOGXRCSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCCF)[C@@H]1CCCO1 ZINC000883208071 591573934 /nfs/dbraw/zinc/57/39/34/591573934.db2.gz YSEUNCNCBUNVDZ-NEPJUHHUSA-N 1 0 215.312 2.449 20 30 BEEDRO C=CCCCC[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000883217373 591575444 /nfs/dbraw/zinc/57/54/44/591575444.db2.gz HNNOFEYVHJVLSI-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCCC[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000883217374 591575583 /nfs/dbraw/zinc/57/55/83/591575583.db2.gz HNNOFEYVHJVLSI-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](C)OC)[C@@H]1CCCO1 ZINC000883218110 591576586 /nfs/dbraw/zinc/57/65/86/591576586.db2.gz UPDOQFSWFUZNAN-AGIUHOORSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)[C@@H]1CCCO1 ZINC000883232738 591581044 /nfs/dbraw/zinc/58/10/44/591581044.db2.gz QSSMTWSFXIZMDY-XUXIUFHCSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000883234836 591581552 /nfs/dbraw/zinc/58/15/52/591581552.db2.gz NLDSJTMBJHLMII-MJBXVCDLSA-N 1 0 239.359 2.269 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000883247327 591588191 /nfs/dbraw/zinc/58/81/91/591588191.db2.gz GSWNDJZQIWRXJQ-QWRGUYRKSA-N 1 0 235.356 2.358 20 30 BEEDRO C=C/C=C/CC[NH2+]Cc1cn(CCC=C)nn1 ZINC000883259936 591597268 /nfs/dbraw/zinc/59/72/68/591597268.db2.gz FGOPGMPUJTXZLK-FNORWQNLSA-N 1 0 232.331 2.076 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C#N)c(C)c2)C1 ZINC000883262551 591599895 /nfs/dbraw/zinc/59/98/95/591599895.db2.gz LILTUCKECMXCPG-CTYIDZIISA-N 1 0 244.338 2.381 20 30 BEEDRO C=CCCC[N@H+](CCS(C)(=O)=O)C(C)(C)C ZINC000131612715 591628679 /nfs/dbraw/zinc/62/86/79/591628679.db2.gz HDDQHPYWWURBAL-UHFFFAOYSA-N 1 0 247.404 2.098 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC3(CCC3)O2)C1 ZINC000883357776 591629072 /nfs/dbraw/zinc/62/90/72/591629072.db2.gz TWUKLHISRXZLMB-FRRDWIJNSA-N 1 0 234.343 2.370 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC3(CCC3)O2)C1 ZINC000883357775 591629301 /nfs/dbraw/zinc/62/93/01/591629301.db2.gz TWUKLHISRXZLMB-AGIUHOORSA-N 1 0 234.343 2.370 20 30 BEEDRO C#CC1(NCc2cc(C)on2)CCCC1 ZINC000883362320 591630676 /nfs/dbraw/zinc/63/06/76/591630676.db2.gz ZRYVQKFQDDFBKR-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000883389811 591635479 /nfs/dbraw/zinc/63/54/79/591635479.db2.gz YZMFLHVUGWRGIZ-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCc2ccccc2C1 ZINC000883389752 591641444 /nfs/dbraw/zinc/64/14/44/591641444.db2.gz XHPLXRRHVICWOG-HOTGVXAUSA-N 1 0 245.366 2.461 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](OCC)C1(C)C ZINC000883390159 591641749 /nfs/dbraw/zinc/64/17/49/591641749.db2.gz GXACKRUHPSCATJ-UPJWGTAASA-N 1 0 241.375 2.107 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)C1CCOCC1 ZINC000883389992 591641769 /nfs/dbraw/zinc/64/17/69/591641769.db2.gz CNOYMPMIROVZAG-KGLIPLIRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)C1CCCC1 ZINC000883391021 591642431 /nfs/dbraw/zinc/64/24/31/591642431.db2.gz ZRDYZNKNLXHHGS-YPMHNXCESA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccoc1 ZINC000883390744 591642521 /nfs/dbraw/zinc/64/25/21/591642521.db2.gz SPGQBMIXFFTDFJ-JQWIXIFHSA-N 1 0 209.289 2.257 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cnc(C)s1 ZINC000883390423 591642849 /nfs/dbraw/zinc/64/28/49/591642849.db2.gz LQQMFNLOANYKJY-MWLCHTKSSA-N 1 0 240.372 2.429 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](CCCC)COC ZINC000883390980 591643105 /nfs/dbraw/zinc/64/31/05/591643105.db2.gz YYVWIOUHSXMZEL-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000883391351 591643469 /nfs/dbraw/zinc/64/34/69/591643469.db2.gz INFFLQPFFVEEDQ-STQMWFEESA-N 1 0 241.375 2.251 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000883391429 591643890 /nfs/dbraw/zinc/64/38/90/591643890.db2.gz KAZWVWDOBJUHMJ-UMSGYPCISA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000883392877 591645241 /nfs/dbraw/zinc/64/52/41/591645241.db2.gz PYYIYWLVVOFBQJ-MCIONIFRSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(CC)o1 ZINC000883400657 591647030 /nfs/dbraw/zinc/64/70/30/591647030.db2.gz RYHPBKZNNAVJKZ-NSHDSACASA-N 1 0 223.316 2.259 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ncc(CC)s1 ZINC000883400623 591647417 /nfs/dbraw/zinc/64/74/17/591647417.db2.gz REMUCMJSTPXQHU-SNVBAGLBSA-N 1 0 240.372 2.122 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccccc1F ZINC000883401067 591648342 /nfs/dbraw/zinc/64/83/42/591648342.db2.gz BBIUOVGHZXXALM-GFCCVEGCSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(Cl)o1 ZINC000883401685 591648516 /nfs/dbraw/zinc/64/85/16/591648516.db2.gz UTVZMRWQZIUSHR-VIFPVBQESA-N 1 0 229.707 2.350 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccccc1F ZINC000883401068 591648613 /nfs/dbraw/zinc/64/86/13/591648613.db2.gz BBIUOVGHZXXALM-LBPRGKRZSA-N 1 0 223.291 2.242 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(F)c1 ZINC000883401455 591648837 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592127793 /nfs/dbraw/zinc/12/77/93/592127793.db2.gz CKBXUKBSODDVOQ-CHWSQXEVSA-N 1 0 207.317 2.065 20 30 BEEDRO CC[C@@H](C)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886006296 592129348 /nfs/dbraw/zinc/12/93/48/592129348.db2.gz PWBOAIGKDLFNER-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H]1C[C@]12CCOC2 ZINC000886017139 592131750 /nfs/dbraw/zinc/13/17/50/592131750.db2.gz SMEYYGFPYQJVFW-KGLIPLIRSA-N 1 0 236.359 2.285 20 30 BEEDRO C[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886018986 592132098 /nfs/dbraw/zinc/13/20/98/592132098.db2.gz KJTNLEDZEWQBOP-AGIUHOORSA-N 1 0 236.359 2.162 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@H]1C[C@]12CCOC2 ZINC000886030328 592136928 /nfs/dbraw/zinc/13/69/28/592136928.db2.gz JIJSTNNMZMUSIW-KGLIPLIRSA-N 1 0 234.343 2.039 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1CCC2(CCC2)CO1 ZINC000886032275 592137057 /nfs/dbraw/zinc/13/70/57/592137057.db2.gz CITCIIUNBRIORP-CYBMUJFWSA-N 1 0 221.344 2.291 20 30 BEEDRO CC[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886037309 592138067 /nfs/dbraw/zinc/13/80/67/592138067.db2.gz HTZDCGKJYKGNBZ-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886038862 592138985 /nfs/dbraw/zinc/13/89/85/592138985.db2.gz CIDAHMNLKGZXEL-XQQFMLRXSA-N 1 0 236.359 2.304 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886062646 592141995 /nfs/dbraw/zinc/14/19/95/592141995.db2.gz TYHBSWWRHNMNLJ-HJHHMULASA-N 1 0 235.302 2.366 20 30 BEEDRO C[N@H+](CCC1CC1)C[C@@H](O)CC1(C#N)CCC1 ZINC000886080959 592144499 /nfs/dbraw/zinc/14/44/99/592144499.db2.gz HVUVJECKVUUTJQ-ZDUSSCGKSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H](C#N)C[N@H+](C[C@H]1C[C@@]12CCOC2)C1CC1 ZINC000886083422 592144738 /nfs/dbraw/zinc/14/47/38/592144738.db2.gz JOZIFXMPVJZZRB-YRGRVCCFSA-N 1 0 234.343 2.037 20 30 BEEDRO C[C@H](C1CC1)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000218262610 592153330 /nfs/dbraw/zinc/15/33/30/592153330.db2.gz PBSRXHZFAWLBJJ-IAQYHMDHSA-N 1 0 244.338 2.322 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1[nH]nc(C)c1C ZINC000886105071 592154998 /nfs/dbraw/zinc/15/49/98/592154998.db2.gz REHZYPZPWHWCFB-JSGCOSHPSA-N 1 0 249.358 2.097 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886111676 592156069 /nfs/dbraw/zinc/15/60/69/592156069.db2.gz GMYLJQHSAIBVGH-XQQFMLRXSA-N 1 0 238.375 2.455 20 30 BEEDRO C#CC[N@H+](C[C@@H]1CCC2(CCC2)CO1)C1CC1 ZINC000886136644 592160602 /nfs/dbraw/zinc/16/06/02/592160602.db2.gz STWWSVDSMAKGIT-AWEZNQCLSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CC[N@H+](C[C@H]1CC[C@@H](C2CC2)O1)C1CC1 ZINC000886136674 592160986 /nfs/dbraw/zinc/16/09/86/592160986.db2.gz UAQWKPPUQMNWJB-KGLIPLIRSA-N 1 0 219.328 2.042 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCCC3(CC3)C2)CCC1 ZINC000886140726 592161640 /nfs/dbraw/zinc/16/16/40/592161640.db2.gz OMUFLRRESOKNBL-CYBMUJFWSA-N 1 0 248.370 2.307 20 30 BEEDRO C#C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)[C@@H]1CCCO1 ZINC000886142719 592162761 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C#CC[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000886363906 592218017 /nfs/dbraw/zinc/21/80/17/592218017.db2.gz HWJQWPUHTBGHOD-QWHCGFSZSA-N 1 0 221.344 2.289 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000886364244 592218257 /nfs/dbraw/zinc/21/82/57/592218257.db2.gz UHEAIBLTEKMBRF-GXSJLCMTSA-N 1 0 235.356 2.253 20 30 BEEDRO C#CCCC[N@@H+](C)[C@@H](CO)c1ccccc1C ZINC000886439065 592226058 /nfs/dbraw/zinc/22/60/58/592226058.db2.gz PBPJDEDECMFPAE-HNNXBMFYSA-N 1 0 231.339 2.374 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1cncc(C(=O)OC)c1 ZINC000886539061 592252016 /nfs/dbraw/zinc/25/20/16/592252016.db2.gz SJTVMRNARGGLNU-NXEZZACHSA-N 1 0 234.299 2.093 20 30 BEEDRO CC(C)[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1cnn(C)c1 ZINC000886594296 592271016 /nfs/dbraw/zinc/27/10/16/592271016.db2.gz JLFMTLALEMOJIR-YUTCNCBUSA-N 1 0 246.358 2.399 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cncc(C(=O)OC)c1 ZINC000886603198 592272101 /nfs/dbraw/zinc/27/21/01/592272101.db2.gz JEKANWYWUQDMKZ-LLVKDONJSA-N 1 0 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631816551 /nfs/dbraw/zinc/81/65/51/631816551.db2.gz SERGBWAXTQLCBO-NEPJUHHUSA-N 1 0 222.332 2.370 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H]1CCOC12CCCC2 ZINC000934386828 631816809 /nfs/dbraw/zinc/81/68/09/631816809.db2.gz SERGBWAXTQLCBO-NWDGAFQWSA-N 1 0 222.332 2.370 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1Cc1ccc(C(=O)NC)cc1 ZINC000934460407 631844972 /nfs/dbraw/zinc/84/49/72/631844972.db2.gz IFCTYVWXRINQLO-AWEZNQCLSA-N 1 0 244.338 2.197 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCNC(=O)OC(C)(C)C ZINC000934459139 631847273 /nfs/dbraw/zinc/84/72/73/631847273.db2.gz BOJKMPOLIVZIDC-LLVKDONJSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1C[C@@H]1COc2ccccc2O1 ZINC000934460525 631847360 /nfs/dbraw/zinc/84/73/60/631847360.db2.gz PYDBGHJACNIGBM-QWHCGFSZSA-N 1 0 245.322 2.477 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CCc1nc(C(C)=O)c(C)[nH]1 ZINC000934459045 631848256 /nfs/dbraw/zinc/84/82/56/631848256.db2.gz CJKKXOKLIGOTQV-GFCCVEGCSA-N 1 0 247.342 2.114 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC[C@@H]1COC(C)(C)O1 ZINC000934459264 631849037 /nfs/dbraw/zinc/84/90/37/631849037.db2.gz HMSDZVJESCGBLO-VXGBXAGGSA-N 1 0 225.332 2.178 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1Cc1ccnc(N(C)C)c1 ZINC000934459964 631852935 /nfs/dbraw/zinc/85/29/35/631852935.db2.gz FUMOBJPCYYSIGC-CYBMUJFWSA-N 1 0 231.343 2.298 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1CCO[C@H]1CCCCO1 ZINC000934462002 631858371 /nfs/dbraw/zinc/85/83/71/631858371.db2.gz PYBDFKYAHPLYSA-OLZOCXBDSA-N 1 0 225.332 2.180 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+]1[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000934461757 631859448 /nfs/dbraw/zinc/85/94/48/631859448.db2.gz ZJYZOGBKCBTBCT-AAVRWANBSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CC(=O)NCCCCCC ZINC000934470482 631863254 /nfs/dbraw/zinc/86/32/54/631863254.db2.gz FQTNDGLPZMFDRW-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1Cc1cn2ccccc2n1 ZINC000934470344 631865143 /nfs/dbraw/zinc/86/51/43/631865143.db2.gz NRIZFYAFVDXTHG-ZDUSSCGKSA-N 1 0 227.311 2.485 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)N(C(C)C)C(C)C ZINC000934473592 631865977 /nfs/dbraw/zinc/86/59/77/631865977.db2.gz XQPPEPZPKFHIEW-CYBMUJFWSA-N 1 0 238.375 2.282 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC000972209573 631875491 /nfs/dbraw/zinc/87/54/91/631875491.db2.gz KFIRLVWQKKTEJJ-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C[NH+]1CCC(CNc2cc(F)cc(C#N)c2)CC1 ZINC000227614062 631877630 /nfs/dbraw/zinc/87/76/30/631877630.db2.gz HLWXJOFVFOEGBJ-UHFFFAOYSA-N 1 0 247.317 2.451 20 30 BEEDRO C#CCOCC[NH2+]C1[C@H](C)CCC[C@H]1C ZINC000309105577 631888943 /nfs/dbraw/zinc/88/89/43/631888943.db2.gz HSEMAGYMXHPIDO-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1Cc1cccc(C)n1 ZINC000934512654 631892803 /nfs/dbraw/zinc/89/28/03/631892803.db2.gz UEUBOMUJZODXQU-AWEZNQCLSA-N 1 0 214.312 2.378 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1CCC(=O)C(C)C ZINC000934516546 631895896 /nfs/dbraw/zinc/89/58/96/631895896.db2.gz LCWFDIPJBQUJNO-GFCCVEGCSA-N 1 0 207.317 2.089 20 30 BEEDRO C[C@H](C#N)OCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309133907 631902926 /nfs/dbraw/zinc/90/29/26/631902926.db2.gz JPBVTZHZPOCGOQ-UPJWGTAASA-N 1 0 222.332 2.037 20 30 BEEDRO CC(C)CCNC(=[NH2+])NCC#Cc1ccccc1 ZINC000849004915 631904687 /nfs/dbraw/zinc/90/46/87/631904687.db2.gz IFLBBVQHAPDKEQ-UHFFFAOYSA-N 1 0 243.354 2.198 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[C@@H]1C ZINC000309148857 631909444 /nfs/dbraw/zinc/90/94/44/631909444.db2.gz VVICKYSBMKFPAR-RNJOBUHISA-N 1 0 209.333 2.356 20 30 BEEDRO C#CCC[NH2+][C@H](C)c1cnn(CC2CCC2)c1 ZINC000934562493 631925983 /nfs/dbraw/zinc/92/59/83/631925983.db2.gz QPRDESAMEPZNRO-GFCCVEGCSA-N 1 0 231.343 2.357 20 30 BEEDRO CSCCCCCC[NH2+]CCC#N ZINC000235108365 631961579 /nfs/dbraw/zinc/96/15/79/631961579.db2.gz NXBZAUWDUSDNPT-UHFFFAOYSA-N 1 0 200.351 2.413 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CCC#N)C(C)(C)CO ZINC000926427292 632004276 /nfs/dbraw/zinc/00/42/76/632004276.db2.gz YQJQACRQHFNNOM-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO Cc1cc(F)c(C#N)c(NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000892319294 632046960 /nfs/dbraw/zinc/04/69/60/632046960.db2.gz KUDWKHVJNBMOIK-LLVKDONJSA-N 1 0 247.317 2.369 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000308903030 632116583 /nfs/dbraw/zinc/11/65/83/632116583.db2.gz BTLJNXJSKWUVKG-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000168201301 632452036 /nfs/dbraw/zinc/45/20/36/632452036.db2.gz IECZULRVTFXKBH-UWVGGRQHSA-N 1 0 248.164 2.442 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)n2)C1 ZINC000309513575 632433886 /nfs/dbraw/zinc/43/38/86/632433886.db2.gz QLJCPMPMWZNFPE-UWVGGRQHSA-N 1 0 219.263 2.003 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926525519 632440190 /nfs/dbraw/zinc/44/01/90/632440190.db2.gz KGHHPRTYSVVXHO-SUHUHFCYSA-N 1 0 248.326 2.084 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000308919935 632441470 /nfs/dbraw/zinc/44/14/70/632441470.db2.gz GUCBJLXLVQCQSB-QJPTWQEYSA-N 1 0 209.333 2.049 20 30 BEEDRO C=CCC[NH2+]Cc1cc(OC)ccc1O ZINC000168527661 632474094 /nfs/dbraw/zinc/47/40/94/632474094.db2.gz DMDSAKGVBDIOTK-UHFFFAOYSA-N 1 0 207.273 2.067 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)Cc1cnccn1 ZINC000309552215 632481818 /nfs/dbraw/zinc/48/18/18/632481818.db2.gz IPARGIHDFBQCRH-NWDGAFQWSA-N 1 0 219.332 2.352 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000168736650 632491777 /nfs/dbraw/zinc/49/17/77/632491777.db2.gz XNLJQIUIKHKGBJ-LBPRGKRZSA-N 1 0 209.264 2.025 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1nonc1C ZINC000308972704 632602695 /nfs/dbraw/zinc/60/26/95/632602695.db2.gz FQPOGJPAGMTRDA-BDAKNGLRSA-N 1 0 209.293 2.068 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000309116203 632642202 /nfs/dbraw/zinc/64/22/02/632642202.db2.gz LPDVJRHOZDYRAB-SNVBAGLBSA-N 1 0 206.289 2.404 20 30 BEEDRO C#C[C@H]([NH2+]CC/C=C/CC)[C@H]1CCCO1 ZINC000309182502 632693835 /nfs/dbraw/zinc/69/38/35/632693835.db2.gz OAPQLFPTQIUTIN-JQSFKPKSSA-N 1 0 207.317 2.113 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000310212992 632708869 /nfs/dbraw/zinc/70/88/69/632708869.db2.gz HJVLYUXMQQXXGY-UHFFFAOYSA-N 1 0 235.327 2.296 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccco1 ZINC001024302794 632729278 /nfs/dbraw/zinc/72/92/78/632729278.db2.gz AKWVQJSSYSSERK-GFCCVEGCSA-N 1 0 248.326 2.050 20 30 BEEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000309189259 632738689 /nfs/dbraw/zinc/73/86/89/632738689.db2.gz PJGPOPUJHPQOHC-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926666298 632794607 /nfs/dbraw/zinc/79/46/07/632794607.db2.gz RVEFJSJQHFDPOP-NSHDSACASA-N 1 0 222.336 2.212 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000926682678 632816114 /nfs/dbraw/zinc/81/61/14/632816114.db2.gz DEIHSIJATSTYRC-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C#CCCC[NH2+]Cc1ccccc1OCCOC ZINC000177587090 632843070 /nfs/dbraw/zinc/84/30/70/632843070.db2.gz QCJJRROFTDAISD-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO C[C@@H]1CC[C@]2(CC[N@H+](CCOCCC#N)C2)C1 ZINC000339083110 635825941 /nfs/dbraw/zinc/82/59/41/635825941.db2.gz ZDRNGPUSVIMNHS-KGLIPLIRSA-N 1 0 236.359 2.429 20 30 BEEDRO [NH2+]=C(NCCCC1CCCCC1)NC1CC1 ZINC000066243030 632859570 /nfs/dbraw/zinc/85/95/70/632859570.db2.gz DLLCRTNLWZTOAE-UHFFFAOYSA-N 1 0 223.364 2.414 20 30 BEEDRO CC(C)[C@H](C)CNC(=[NH2+])N1CCCCCC1 ZINC000177746842 632872539 /nfs/dbraw/zinc/87/25/39/632872539.db2.gz VYWXTVFLVYDJJF-GFCCVEGCSA-N 1 0 225.380 2.469 20 30 BEEDRO COc1ccc(C[N@H+](C)CCO[C@H](C)C#N)cc1 ZINC000310734234 632926470 /nfs/dbraw/zinc/92/64/70/632926470.db2.gz YAVADWGWULGQDS-GFCCVEGCSA-N 1 0 248.326 2.056 20 30 BEEDRO C[C@H](CCO)[NH2+]Cc1ccc(C#N)c(Cl)c1 ZINC000309320269 632933759 /nfs/dbraw/zinc/93/37/59/632933759.db2.gz ADWKRYFKLKPBLO-SECBINFHSA-N 1 0 238.718 2.072 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnn1CCC ZINC000229643515 632985149 /nfs/dbraw/zinc/98/51/49/632985149.db2.gz GFGODQIVHGLXOL-UHFFFAOYSA-N 1 0 219.332 2.186 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000229835081 632992327 /nfs/dbraw/zinc/99/23/27/632992327.db2.gz UKQGADAPQKVPGL-ZDUSSCGKSA-N 1 0 221.344 2.481 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ncc(C)c(OC)c1C ZINC000229970701 633004190 /nfs/dbraw/zinc/00/41/90/633004190.db2.gz HIPPAJNYHULMEI-LBPRGKRZSA-N 1 0 232.327 2.208 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000162957794 633042551 /nfs/dbraw/zinc/04/25/51/633042551.db2.gz NRJMTPDOCSRWMD-UHFFFAOYSA-N 1 0 216.284 2.176 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1[C@H]1CCCCN1C(C)=O ZINC001025179292 633072919 /nfs/dbraw/zinc/07/29/19/633072919.db2.gz MARCKWIKUNCQGJ-ZIAGYGMSSA-N 1 0 236.359 2.038 20 30 BEEDRO C#C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)C(C)(C)C ZINC000894517034 635904416 /nfs/dbraw/zinc/90/44/16/635904416.db2.gz CLWQSEPLCHQRET-VXGBXAGGSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)C(C)(C)C ZINC000894517029 635905208 /nfs/dbraw/zinc/90/52/08/635905208.db2.gz CLWQSEPLCHQRET-NWDGAFQWSA-N 1 0 221.344 2.336 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@H]([C@@H](C)NC(C)=O)C1 ZINC001025306358 633098754 /nfs/dbraw/zinc/09/87/54/633098754.db2.gz DTKHPUBUDFTKBR-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO COc1ccc(O)c(C[NH2+]CC(C)(C)C#N)c1 ZINC000168931835 633153242 /nfs/dbraw/zinc/15/32/42/633153242.db2.gz PFUYLXBZNLBEKN-UHFFFAOYSA-N 1 0 234.299 2.040 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1CCC(CC)CC1 ZINC000327974919 633197331 /nfs/dbraw/zinc/19/73/31/633197331.db2.gz HFWRCSNOACDBOH-UHFFFAOYSA-N 1 0 236.403 2.500 20 30 BEEDRO C#Cc1ccc(C[NH2+]C(C)(C)COC)cc1 ZINC000309562727 633201811 /nfs/dbraw/zinc/20/18/11/633201811.db2.gz LMUADMWEBIPKML-UHFFFAOYSA-N 1 0 217.312 2.183 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)n3ncnc32)CC1 ZINC000926839951 633206888 /nfs/dbraw/zinc/20/68/88/633206888.db2.gz OJKWPKZKXJZMLX-FDYHWXHSSA-N 1 0 244.342 2.066 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCc2ccccc21 ZINC000171801529 633211379 /nfs/dbraw/zinc/21/13/79/633211379.db2.gz MMYDKHHMHPFIDF-AAEUAGOBSA-N 1 0 245.370 2.419 20 30 BEEDRO C#CCSCC[NH2+][C@@H](CC)C1CCOCC1 ZINC000309716578 633231135 /nfs/dbraw/zinc/23/11/35/633231135.db2.gz TXYBSXLNEDQJHN-ZDUSSCGKSA-N 1 0 241.400 2.148 20 30 BEEDRO C#CCN(C)CCC[NH2+]CC1CCCCC1 ZINC000328106448 633236516 /nfs/dbraw/zinc/23/65/16/633236516.db2.gz MTFNZWIRFLSOMY-UHFFFAOYSA-N 1 0 222.376 2.111 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1[C@H](C)CCC[C@@H]1C ZINC000328104464 633236695 /nfs/dbraw/zinc/23/66/95/633236695.db2.gz MEUKTOBYNUFLFR-FICVDOATSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1[C@@H](C)CCC[C@@H]1C ZINC000328104465 633237243 /nfs/dbraw/zinc/23/72/43/633237243.db2.gz MEUKTOBYNUFLFR-KBPBESRZSA-N 1 0 236.403 2.356 20 30 BEEDRO CC[C@H](CC#N)NC1CC[NH+](C(C)C)CC1 ZINC000054181952 636046991 /nfs/dbraw/zinc/04/69/91/636046991.db2.gz HKKCLILJUJVBLU-GFCCVEGCSA-N 1 0 223.364 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@@H](C)CCC1(C)C ZINC000909471211 636084911 /nfs/dbraw/zinc/08/49/11/636084911.db2.gz DMKGOWMAGISRTC-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000320146863 636116563 /nfs/dbraw/zinc/11/65/63/636116563.db2.gz CGJUAYQQGZKSJS-MROQNXINSA-N 1 0 209.333 2.092 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCCC2 ZINC000166462462 636127898 /nfs/dbraw/zinc/12/78/98/636127898.db2.gz HFTCXROSRNPXRI-AVGNSLFASA-N 1 0 221.344 2.336 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)cc1 ZINC000294021310 633744941 /nfs/dbraw/zinc/74/49/41/633744941.db2.gz NOBBPLGKNYHBJS-MRXNPFEDSA-N 1 0 243.350 2.262 20 30 BEEDRO C=CCSCC[NH2+]Cc1cn(CC)nc1C ZINC000892942459 633751018 /nfs/dbraw/zinc/75/10/18/633751018.db2.gz XRFPKOQSVHIDAS-UHFFFAOYSA-N 1 0 239.388 2.220 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000926873480 633756773 /nfs/dbraw/zinc/75/67/73/633756773.db2.gz GFEHKSLFWVIHBI-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000308675204 633786361 /nfs/dbraw/zinc/78/63/61/633786361.db2.gz VYUZAOYDQNCAQL-QWRGUYRKSA-N 1 0 211.374 2.377 20 30 BEEDRO C#CCCC[NH2+]Cc1c(C)noc1CC ZINC000893091893 633825962 /nfs/dbraw/zinc/82/59/62/633825962.db2.gz HCUHUAKSRJOQAF-UHFFFAOYSA-N 1 0 206.289 2.048 20 30 BEEDRO C#CCC[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC000309164111 633852808 /nfs/dbraw/zinc/85/28/08/633852808.db2.gz IEEYLKGJUWEXKD-NEPJUHHUSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@H]1CC ZINC000309165616 633853554 /nfs/dbraw/zinc/85/35/54/633853554.db2.gz IWDVNGURFWKANO-OLZOCXBDSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)Cc1ccccn1 ZINC000925525352 633902857 /nfs/dbraw/zinc/90/28/57/633902857.db2.gz AGZDNAVVSYAREL-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO C[NH+]=C(NCCCCCCSC)NC1CC1 ZINC000181373802 633914991 /nfs/dbraw/zinc/91/49/91/633914991.db2.gz HYDZIWNFVVFZCB-UHFFFAOYSA-N 1 0 243.420 2.237 20 30 BEEDRO COc1ccc(C[NH2+][C@@H](C)CF)cc1C#N ZINC000309926297 633947375 /nfs/dbraw/zinc/94/73/75/633947375.db2.gz VJXLAEZVSPAMEE-VIFPVBQESA-N 1 0 222.263 2.014 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(=O)N(CC)CC ZINC000309930574 633952146 /nfs/dbraw/zinc/95/21/46/633952146.db2.gz XSWZHESVIWBZJY-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO CCCCCCCC[NH2+]CC1(O)CCOCC1 ZINC000162320490 633994083 /nfs/dbraw/zinc/99/40/83/633994083.db2.gz VXDSMILWEGHJTC-UHFFFAOYSA-N 1 0 243.391 2.478 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCCCCC=C ZINC000895489710 636151010 /nfs/dbraw/zinc/15/10/10/636151010.db2.gz HBKUBSRQAUYHEB-UONOGXRCSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000895490506 636151047 /nfs/dbraw/zinc/15/10/47/636151047.db2.gz QJOQGOZXROIKBC-QNWHQSFQSA-N 1 0 249.379 2.214 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCC(C)=C(C)C1 ZINC000895490557 636151140 /nfs/dbraw/zinc/15/11/40/636151140.db2.gz QTWKWMPQSUGHDM-QLFBSQMISA-N 1 0 235.371 2.485 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCC(C)=C(C)C1 ZINC000895490560 636151810 /nfs/dbraw/zinc/15/18/10/636151810.db2.gz QTWKWMPQSUGHDM-RRFJBIMHSA-N 1 0 235.371 2.485 20 30 BEEDRO C=C1CCC(C(=O)NCC(C)(C)[NH+](C)C)CC1 ZINC000895592456 636165295 /nfs/dbraw/zinc/16/52/95/636165295.db2.gz PGWLJKMHFNNYCT-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)C(C)(C)CNC(=[NH2+])N1CCCCC1 ZINC000187849143 634125423 /nfs/dbraw/zinc/12/54/23/634125423.db2.gz AHNDQNRQYLGBJP-UHFFFAOYSA-N 1 0 225.380 2.469 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)COC(C)=O ZINC000893304518 634127225 /nfs/dbraw/zinc/12/72/25/634127225.db2.gz MSBZFVVEZIBOHY-GHMZBOCLSA-N 1 0 213.321 2.272 20 30 BEEDRO CC[N@H+](CCSC)Cc1cncc(C#N)c1 ZINC000930827537 634128670 /nfs/dbraw/zinc/12/86/70/634128670.db2.gz VBERFGJOXFLFTG-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO C[N@@H+](Cc1cnc[nH]1)CC1CCC(C#N)CC1 ZINC000930917706 634177712 /nfs/dbraw/zinc/17/77/12/634177712.db2.gz ZHHFKKNXXRTLNM-UHFFFAOYSA-N 1 0 232.331 2.171 20 30 BEEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC#Cc1ccccc1 ZINC000931044656 634198230 /nfs/dbraw/zinc/19/82/30/634198230.db2.gz VKTODOFHICUODB-GDBMZVCRSA-N 1 0 242.366 2.063 20 30 BEEDRO CC1(C)C[C@]1([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000931080258 634213048 /nfs/dbraw/zinc/21/30/48/634213048.db2.gz AUSUXIQVMIQUNK-HIFRSBDPSA-N 1 0 244.338 2.176 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308341068 634320477 /nfs/dbraw/zinc/32/04/77/634320477.db2.gz BSPKFVMBYODFER-STQMWFEESA-N 1 0 239.359 2.126 20 30 BEEDRO CC(C)(CC#N)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000925692409 634324524 /nfs/dbraw/zinc/32/45/24/634324524.db2.gz KDKDPGSRHQBPRK-GFCCVEGCSA-N 1 0 235.375 2.191 20 30 BEEDRO N#CCC[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1 ZINC000336317974 635129740 /nfs/dbraw/zinc/12/97/40/635129740.db2.gz GGQUHDAQGYIIBL-SNVBAGLBSA-N 1 0 225.295 2.138 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]C[C@@H](C)C#N)C[C@H]1OC ZINC000893545643 635132817 /nfs/dbraw/zinc/13/28/17/635132817.db2.gz VIBMGAQCGDZUDI-QJPTWQEYSA-N 1 0 224.348 2.329 20 30 BEEDRO CN(CC(C)(C)C[NH3+])c1ccc(C#N)cc1F ZINC000093874583 635133115 /nfs/dbraw/zinc/13/31/15/635133115.db2.gz NICHPVANIWIKCY-UHFFFAOYSA-N 1 0 235.306 2.118 20 30 BEEDRO C=CCC(CC=C)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000424022808 635151938 /nfs/dbraw/zinc/15/19/38/635151938.db2.gz DUUOCFGYYGJKBF-HNNXBMFYSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)C2CC=CC2)CC1 ZINC000980876865 635293640 /nfs/dbraw/zinc/29/36/40/635293640.db2.gz WIJLHVQBDLEYBT-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)/C=C\C2CC2)CC1 ZINC000980881969 635295696 /nfs/dbraw/zinc/29/56/96/635295696.db2.gz SSBOBBNVFDJFLT-SREVYHEPSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CCC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccco1 ZINC000925784364 635298226 /nfs/dbraw/zinc/29/82/26/635298226.db2.gz MZKWEBAJJHSMLR-JHJVBQTASA-N 1 0 234.343 2.484 20 30 BEEDRO C=C(C)C[N@H+]1CCCN(C(=O)/C(C)=C/C)CC1 ZINC000980936156 635303130 /nfs/dbraw/zinc/30/31/30/635303130.db2.gz BVXMDFAAEFMSNT-WLRTZDKTSA-N 1 0 236.359 2.063 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)C2=CCCC2)CC1 ZINC000980962781 635306648 /nfs/dbraw/zinc/30/66/48/635306648.db2.gz MRNGWSJCVWPGSN-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C(C)=C2CCC2)CC1 ZINC000981130124 635319843 /nfs/dbraw/zinc/31/98/43/635319843.db2.gz JKUWTPJZYDFUSJ-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+][C@H](C)C(N)=O ZINC000059321912 635448305 /nfs/dbraw/zinc/44/83/05/635448305.db2.gz HXDOHMKKQFQQSX-GHMZBOCLSA-N 1 0 214.353 2.199 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000411642766 635561453 /nfs/dbraw/zinc/56/14/53/635561453.db2.gz LMSIOFPNFRUJRN-QWHCGFSZSA-N 1 0 246.358 2.292 20 30 BEEDRO CC(C)[C@@H]1COCC[C@@H]1[NH2+]CCCCC#N ZINC000924940889 635794481 /nfs/dbraw/zinc/79/44/81/635794481.db2.gz BHCPAQKWFAQVFK-STQMWFEESA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CCC2(CC1)OCCO2 ZINC000165055503 636007922 /nfs/dbraw/zinc/00/79/22/636007922.db2.gz IVEZCICWXRHSFT-NSHDSACASA-N 1 0 225.332 2.226 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(C)co2)C1 ZINC000895388861 636140711 /nfs/dbraw/zinc/14/07/11/636140711.db2.gz AYLTWGVYMXTELX-LBPRGKRZSA-N 1 0 203.285 2.433 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C#N)CC1)C(F)F ZINC000895725303 636174591 /nfs/dbraw/zinc/17/45/91/636174591.db2.gz MRBAVFNTSJFAHD-AFPNSQJFSA-N 1 0 202.248 2.312 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(C)C)[C@H]1CCCO1 ZINC000883189186 636179434 /nfs/dbraw/zinc/17/94/34/636179434.db2.gz ABQHLFZYNRDDTJ-BFHYXJOUSA-N 1 0 241.375 2.107 20 30 BEEDRO C#CCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C(C)C ZINC000928626127 636220070 /nfs/dbraw/zinc/22/00/70/636220070.db2.gz QIIZNJJEVHTGPW-GFCCVEGCSA-N 1 0 238.375 2.023 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCC12CCC2 ZINC000320334530 636227009 /nfs/dbraw/zinc/22/70/09/636227009.db2.gz ZVTGQLIPJMODHI-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C[NH+]=C(NC[C@@H](C)c1ccccc1)NC1CC1 ZINC000303397065 636307253 /nfs/dbraw/zinc/30/72/53/636307253.db2.gz IGZNDBOUTXVYSN-LLVKDONJSA-N 1 0 231.343 2.118 20 30 BEEDRO C[NH+]=C(NC[C@@H](C)c1cccc(C)c1)NC1CC1 ZINC000304301291 636322693 /nfs/dbraw/zinc/32/26/93/636322693.db2.gz GAAITUSKKDJQAT-GFCCVEGCSA-N 1 0 245.370 2.426 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC1(OC)CCC1 ZINC000305877693 636335085 /nfs/dbraw/zinc/33/50/85/636335085.db2.gz SDUUWSQTJUTRIH-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@H](C)C#N ZINC000909612003 636343830 /nfs/dbraw/zinc/34/38/30/636343830.db2.gz DCACITSZZQWKOP-LLVKDONJSA-N 1 0 245.326 2.155 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CCC[C@H]1C ZINC000925174558 636352938 /nfs/dbraw/zinc/35/29/38/636352938.db2.gz AYEIYXTVOMMMNU-CHWSQXEVSA-N 1 0 237.391 2.389 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CCC[C@@H]1C ZINC000925174559 636353306 /nfs/dbraw/zinc/35/33/06/636353306.db2.gz AYEIYXTVOMMMNU-OLZOCXBDSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CCCCCC[N@@H+]1CCC2(C1)OCCO2 ZINC000193425066 636414887 /nfs/dbraw/zinc/41/48/87/636414887.db2.gz IBRSEWSIWOZJQN-UHFFFAOYSA-N 1 0 225.332 2.182 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccoc2)[C@H]1C ZINC000985962439 636458280 /nfs/dbraw/zinc/45/82/80/636458280.db2.gz MMGAEDXIHDVKDL-WCQYABFASA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C ZINC000985975082 636459781 /nfs/dbraw/zinc/45/97/81/636459781.db2.gz ZPZHHMTWURSJTQ-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)C)[C@H]1C ZINC000985975083 636459568 /nfs/dbraw/zinc/45/95/68/636459568.db2.gz ZPZHHMTWURSJTQ-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)[C@@H]1C ZINC000986087336 636498013 /nfs/dbraw/zinc/49/80/13/636498013.db2.gz XRWMBNJECSOGEU-TZMCWYRMSA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C2=CCCC2)[C@H]1C ZINC000986134138 636527948 /nfs/dbraw/zinc/52/79/48/636527948.db2.gz COILJMCEBNHXKK-JSGCOSHPSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[NH2+]Cc1ncc(C)c(OC)c1C ZINC000168731892 636528528 /nfs/dbraw/zinc/52/85/28/636528528.db2.gz OBTUOODDWSGGBP-UHFFFAOYSA-N 1 0 220.316 2.373 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000168736239 636530665 /nfs/dbraw/zinc/53/06/65/636530665.db2.gz SKNPXRUZPBPPNI-LBPRGKRZSA-N 1 0 227.254 2.164 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(F)=C(C)C)[C@@H]1C ZINC000986144862 636534898 /nfs/dbraw/zinc/53/48/98/636534898.db2.gz DPSYTQOKYFOIHC-MNOVXSKESA-N 1 0 240.322 2.015 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)=C2CCC2)[C@@H]1C ZINC000986266416 636552425 /nfs/dbraw/zinc/55/24/25/636552425.db2.gz MODPHAICPHXXRW-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCCC[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000177385165 636566493 /nfs/dbraw/zinc/56/64/93/636566493.db2.gz XPFMANGTZDXTHB-CYBMUJFWSA-N 1 0 244.338 2.407 20 30 BEEDRO CCC[C@@H](C)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000897396371 636578019 /nfs/dbraw/zinc/57/80/19/636578019.db2.gz JJWIFAZCOIEEHB-GFCCVEGCSA-N 1 0 246.358 2.391 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000799720931 636637858 /nfs/dbraw/zinc/63/78/58/636637858.db2.gz YVMXVNWPFMFIDP-WCQYABFASA-N 1 0 243.285 2.479 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000799726954 636639764 /nfs/dbraw/zinc/63/97/64/636639764.db2.gz XCVXSNKMAIWQRE-LEWSCRJBSA-N 1 0 248.301 2.141 20 30 BEEDRO C=C[C@H](C(=O)OC)[NH+]1CCCCCCCC1 ZINC000321441990 636647507 /nfs/dbraw/zinc/64/75/07/636647507.db2.gz FGEJKMYQGJVRBJ-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)/C=C(\C)C2CC2)C1 ZINC000988203124 636681031 /nfs/dbraw/zinc/68/10/31/636681031.db2.gz UILUKHKGERCONM-RBDCFEFUSA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C=C(\C)C2CC2)C1 ZINC000988203123 636681870 /nfs/dbraw/zinc/68/18/70/636681870.db2.gz UILUKHKGERCONM-MNFCOICASA-N 1 0 248.370 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)/C=C(/C)C2CC2)C1 ZINC000988203126 636683102 /nfs/dbraw/zinc/68/31/02/636683102.db2.gz UILUKHKGERCONM-YTYACIELSA-N 1 0 248.370 2.108 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H](C3CC3)O2)C1 ZINC000897506169 636731107 /nfs/dbraw/zinc/73/11/07/636731107.db2.gz VUEQWZGKQCPLQL-SAXRGWBVSA-N 1 0 234.343 2.226 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988588621 636742009 /nfs/dbraw/zinc/74/20/09/636742009.db2.gz RPERSYBODSFONH-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000321983788 636788874 /nfs/dbraw/zinc/78/88/74/636788874.db2.gz CZHGKGCHJJPQFR-QJPTWQEYSA-N 1 0 211.374 2.377 20 30 BEEDRO C=CC[C@H](CC)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897649911 636831475 /nfs/dbraw/zinc/83/14/75/636831475.db2.gz CRTWENYZAPAULP-RYUDHWBXSA-N 1 0 238.375 2.330 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CC12CC(O)C2 ZINC000897845182 636837084 /nfs/dbraw/zinc/83/70/84/636837084.db2.gz ZOEUAFFEYBPFLU-ROKHWSDSSA-N 1 0 221.344 2.073 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CCO)C1CCCC1 ZINC000897885578 636843739 /nfs/dbraw/zinc/84/37/39/636843739.db2.gz NRBXGSCBHWTODV-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897898327 636845370 /nfs/dbraw/zinc/84/53/70/636845370.db2.gz FXFSQUQJRDQGQM-NSHDSACASA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC1(CC)CCC1 ZINC000083977250 636875906 /nfs/dbraw/zinc/87/59/06/636875906.db2.gz YXFKULNSLUZVMB-UHFFFAOYSA-N 1 0 209.337 2.047 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000989934021 636899908 /nfs/dbraw/zinc/89/99/08/636899908.db2.gz MAVJPPLCWVFMJH-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](CN(C)C)OCC ZINC000926960159 636973750 /nfs/dbraw/zinc/97/37/50/636973750.db2.gz FGLJTYCWSSXYMS-MELADBBJSA-N 1 0 242.407 2.143 20 30 BEEDRO C[C@]1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCCO1 ZINC000927025115 636994235 /nfs/dbraw/zinc/99/42/35/636994235.db2.gz ZTDZDHWHGNZMGS-RWMBFGLXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=C(CC)COC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923890835 637004405 /nfs/dbraw/zinc/00/44/05/637004405.db2.gz UXNAKANVAPXUDL-LBPRGKRZSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CC[C@H](C)OC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000923892185 637007819 /nfs/dbraw/zinc/00/78/19/637007819.db2.gz VIIKGRCEGPOSKQ-RYUDHWBXSA-N 1 0 225.332 2.367 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCC(C)C ZINC000900137157 637172918 /nfs/dbraw/zinc/17/29/18/637172918.db2.gz XDVWRQQFJRWSBB-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO CCOCCCC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902754985 637332614 /nfs/dbraw/zinc/33/26/14/637332614.db2.gz JILLKVSKJOBIIJ-LBPRGKRZSA-N 1 0 247.342 2.421 20 30 BEEDRO CCCCCCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903131875 637346960 /nfs/dbraw/zinc/34/69/60/637346960.db2.gz KYEZORMXEIGTOF-UONOGXRCSA-N 1 0 241.375 2.494 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1OC ZINC000903167735 637351665 /nfs/dbraw/zinc/35/16/65/637351665.db2.gz OVPWBMIMWQGVPM-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCONC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904596591 637442815 /nfs/dbraw/zinc/44/28/15/637442815.db2.gz SSOQFDNLFNOAKS-UHFFFAOYSA-N 1 0 249.314 2.120 20 30 BEEDRO Cc1cccc([C@H](O)C[NH2+]CCCCC#N)c1 ZINC000905093653 637632479 /nfs/dbraw/zinc/63/24/79/637632479.db2.gz MFBIEKLHFSLTFF-CQSZACIVSA-N 1 0 232.327 2.312 20 30 BEEDRO C#CCCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905136679 637647319 /nfs/dbraw/zinc/64/73/19/637647319.db2.gz RKQKKTFSVGRQQD-CQSZACIVSA-N 1 0 217.312 2.031 20 30 BEEDRO C=CCCOCC[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905185330 637666146 /nfs/dbraw/zinc/66/61/46/637666146.db2.gz ACCNBXMYVCAHSA-OAHLLOKOSA-N 1 0 249.354 2.211 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1cccc(C)c1)C(C)C ZINC000905243216 637703965 /nfs/dbraw/zinc/70/39/65/637703965.db2.gz HPURFTXIKIBQGP-CABCVRRESA-N 1 0 231.339 2.276 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905277870 637734492 /nfs/dbraw/zinc/73/44/92/637734492.db2.gz AOPBCMPXBVEZCS-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO C=C[C@](C)(CC)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905310703 637765736 /nfs/dbraw/zinc/76/57/36/637765736.db2.gz HRAJHRQIXOQMNW-CQSZACIVSA-N 1 0 249.358 2.465 20 30 BEEDRO CCC[C@H](C)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905421863 637807185 /nfs/dbraw/zinc/80/71/85/637807185.db2.gz DDEVVCSVWXWGCT-STQMWFEESA-N 1 0 238.375 2.457 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)CC1 ZINC000905437372 637814688 /nfs/dbraw/zinc/81/46/88/637814688.db2.gz JQJBJTLVJJXYFF-XDQVBPFNSA-N 1 0 248.370 2.209 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1CCC=CCC1 ZINC000905492825 637836720 /nfs/dbraw/zinc/83/67/20/637836720.db2.gz QBGMPFDYNCSRBK-CYBMUJFWSA-N 1 0 236.359 2.376 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC1CC=CC1 ZINC000905579252 637853484 /nfs/dbraw/zinc/85/34/84/637853484.db2.gz LKSNZENMTUTNSY-CYBMUJFWSA-N 1 0 236.359 2.233 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCSC2(CCC2)C1 ZINC000905599777 637858527 /nfs/dbraw/zinc/85/85/27/637858527.db2.gz BREJSBHMFPXAKO-SNVBAGLBSA-N 1 0 210.346 2.308 20 30 BEEDRO N#CCC[NH2+]CCCOc1cccc(F)c1 ZINC000905702209 637890797 /nfs/dbraw/zinc/89/07/97/637890797.db2.gz BEZFYVBTDITAAD-UHFFFAOYSA-N 1 0 222.263 2.098 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@H]1CCCOC1 ZINC000905804514 637933321 /nfs/dbraw/zinc/93/33/21/637933321.db2.gz NYVPULFGZHQAHX-IHRRRGAJSA-N 1 0 249.358 2.225 20 30 BEEDRO C=C(Cl)Cn1cc(C[N@@H+](C)C(C)(C)C)nn1 ZINC000905816340 637943704 /nfs/dbraw/zinc/94/37/04/637943704.db2.gz OVFBPOHFPMAKFN-UHFFFAOYSA-N 1 0 242.754 2.261 20 30 BEEDRO C=C(C)c1cnc([C@@H]2CCCC[NH2+]2)nc1 ZINC000906168250 638083805 /nfs/dbraw/zinc/08/38/05/638083805.db2.gz IMSMGXRSAAYGAI-NSHDSACASA-N 1 0 203.289 2.324 20 30 BEEDRO C=CCc1ccc(-c2cnn(CC[NH2+]C)c2)cc1 ZINC000906205101 638106152 /nfs/dbraw/zinc/10/61/52/638106152.db2.gz CVBRMYJOZFPEMU-UHFFFAOYSA-N 1 0 241.338 2.498 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1CCON=C[C@@H]1CCCO1 ZINC000906507937 638179091 /nfs/dbraw/zinc/17/90/91/638179091.db2.gz MGHJAJKICJMQCD-STQMWFEESA-N 1 0 240.347 2.042 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000907245191 638330321 /nfs/dbraw/zinc/33/03/21/638330321.db2.gz XVGUUKPKTVXPPW-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCC1CC(C)(C)C1 ZINC000907603697 638420118 /nfs/dbraw/zinc/42/01/18/638420118.db2.gz VUPIXVVMCQJQHR-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907640437 638429755 /nfs/dbraw/zinc/42/97/55/638429755.db2.gz RRTNBGHUPLDRPB-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCC(C)(F)F ZINC000908510126 639003484 /nfs/dbraw/zinc/00/34/84/639003484.db2.gz QMOSHTCJTSYZEG-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)C1CC(C)(C)C1 ZINC000909912065 639268744 /nfs/dbraw/zinc/26/87/44/639268744.db2.gz HPJKJXVJLZPTAY-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(C)C[C@@H]1C ZINC000910465641 639461448 /nfs/dbraw/zinc/46/14/48/639461448.db2.gz LIZMAPFZAKMWGD-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)[C@@H](C)O)c1ccccc1 ZINC000930227313 639644055 /nfs/dbraw/zinc/64/40/55/639644055.db2.gz FLXFQJKREYVKHR-SNPRPXQTSA-N 1 0 249.354 2.025 20 30 BEEDRO N#CC1(CCCC[N@H+]2C[C@H]3C[C@@]3(CO)C2)CCC1 ZINC000930250618 639659487 /nfs/dbraw/zinc/65/94/87/639659487.db2.gz FIDPTGSSPXZSMQ-HIFRSBDPSA-N 1 0 248.370 2.165 20 30 BEEDRO N#CC1(CCCC[N@H+]2C[C@@H]3C[C@]3(CO)C2)CCC1 ZINC000930250615 639659695 /nfs/dbraw/zinc/65/96/95/639659695.db2.gz FIDPTGSSPXZSMQ-DZGCQCFKSA-N 1 0 248.370 2.165 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCC(C)(C)C ZINC000911523650 639663420 /nfs/dbraw/zinc/66/34/20/639663420.db2.gz DAUATOLQUGIXQP-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911633528 639691456 /nfs/dbraw/zinc/69/14/56/639691456.db2.gz HFXYUPHJYYLOJM-OLZOCXBDSA-N 1 0 238.375 2.047 20 30 BEEDRO C[N@H+](CCCO)CCCCC1(C#N)CCC1 ZINC000930327969 639709669 /nfs/dbraw/zinc/70/96/69/639709669.db2.gz XXIRUVFIUQAJFT-UHFFFAOYSA-N 1 0 224.348 2.165 20 30 BEEDRO C[C@H]1C[C@@H](C(C)(C)C)CC[N@@H+]1C[C@H](O)CC#N ZINC000930492576 639780578 /nfs/dbraw/zinc/78/05/78/639780578.db2.gz IUSMZLPVBQOPNG-RWMBFGLXSA-N 1 0 238.375 2.408 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911755050 639783739 /nfs/dbraw/zinc/78/37/39/639783739.db2.gz YIMZBHVUMSSBNB-RYUDHWBXSA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)CC1(C)CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930501473 639785344 /nfs/dbraw/zinc/78/53/44/639785344.db2.gz UCRYNMGJOLFZLM-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000911767404 639794577 /nfs/dbraw/zinc/79/45/77/639794577.db2.gz LEARGMXEUMJRDR-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC[C@H](CO)[N@H+](C)CC1CCC(C#N)CC1 ZINC000930598301 639816008 /nfs/dbraw/zinc/81/60/08/639816008.db2.gz KRXZKJZEIVYPBF-WXRRBKDZSA-N 1 0 224.348 2.019 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CCCc1cccnc1 ZINC000930600916 639816914 /nfs/dbraw/zinc/81/69/14/639816914.db2.gz PFPVKJMITNEIIL-CQSZACIVSA-N 1 0 216.328 2.406 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)c1snnc1C ZINC000930601033 639817019 /nfs/dbraw/zinc/81/70/19/639817019.db2.gz PZZYDDRNBBRQDT-KCJUWKMLSA-N 1 0 223.345 2.299 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000930601520 639817301 /nfs/dbraw/zinc/81/73/01/639817301.db2.gz UVLOPOHCHQAOFA-CABCVRRESA-N 1 0 231.339 2.420 20 30 BEEDRO C[C@@H]([N@H+](C)CC1CCC(C#N)CC1)C(C)(C)O ZINC000930612976 639820833 /nfs/dbraw/zinc/82/08/33/639820833.db2.gz BRWXQFWYBFXVRD-PNESKVBLSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930625296 639828790 /nfs/dbraw/zinc/82/87/90/639828790.db2.gz GGBJRMYXIQNPTF-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)Nc1cc(C)ncc1C ZINC000930626644 639830472 /nfs/dbraw/zinc/83/04/72/639830472.db2.gz NTNWZLCQCWVZJR-GFCCVEGCSA-N 1 0 245.326 2.303 20 30 BEEDRO C=CC(C)(C)NC(=O)Nc1cc(C)ncc1C ZINC000930628481 639830774 /nfs/dbraw/zinc/83/07/74/639830774.db2.gz XIYIRWCVPPOMMR-UHFFFAOYSA-N 1 0 233.315 2.206 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000930637371 639835714 /nfs/dbraw/zinc/83/57/14/639835714.db2.gz DQCOJXRVAMVPQS-KGLIPLIRSA-N 1 0 235.302 2.301 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911825945 639837442 /nfs/dbraw/zinc/83/74/42/639837442.db2.gz PECROZXKPFHIAD-UPJWGTAASA-N 1 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1 0 248.326 2.317 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)c2ncccn2)C1 ZINC000930816558 639919262 /nfs/dbraw/zinc/91/92/62/639919262.db2.gz MWSBHOADVAZPHV-OLZOCXBDSA-N 1 0 229.327 2.273 20 30 BEEDRO C=CC[N@H+](C[C@@H](COC)C(C)C)[C@H](C)COC ZINC000930932069 639995549 /nfs/dbraw/zinc/99/55/49/639995549.db2.gz GPJUZTVYRVKWMF-KGLIPLIRSA-N 1 0 243.391 2.428 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000930963170 640000934 /nfs/dbraw/zinc/00/09/34/640000934.db2.gz SXOOVXGRZAETFS-KBPBESRZSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C/C(C)=C\C(=O)OC)C1 ZINC000930962541 640001683 /nfs/dbraw/zinc/00/16/83/640001683.db2.gz OBLJZHDPVOVUME-KIWPFMIBSA-N 1 0 237.343 2.394 20 30 BEEDRO C[C@@H]1C[NH+](CC2CCC(C#N)CC2)C[C@@H](C)C1=O ZINC000930972647 640008385 /nfs/dbraw/zinc/00/83/85/640008385.db2.gz NZCRGXNHEOFETL-IWMBGFJWSA-N 1 0 248.370 2.473 20 30 BEEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000930994990 640014876 /nfs/dbraw/zinc/01/48/76/640014876.db2.gz XXLJHIPMHXXPLC-UONOGXRCSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)Cc1c[nH]cn1 ZINC000912281874 640015179 /nfs/dbraw/zinc/01/51/79/640015179.db2.gz RZGDFZGGJOYALR-YPMHNXCESA-N 1 0 247.342 2.203 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCc1cccc(C)c1 ZINC000912282400 640015219 /nfs/dbraw/zinc/01/52/19/640015219.db2.gz DJLCFBATVDYRHO-AWEZNQCLSA-N 1 0 246.354 2.295 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH]cn1 ZINC000912281872 640015989 /nfs/dbraw/zinc/01/59/89/640015989.db2.gz RZGDFZGGJOYALR-DGCLKSJQSA-N 1 0 247.342 2.203 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1C[C@H]1C(=O)OCC)C(C)(C)C ZINC000931017413 640021085 /nfs/dbraw/zinc/02/10/85/640021085.db2.gz PDTAIKWJNAPZBA-NWDGAFQWSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CC[N@@H+](C/C(C)=C\C(=O)OC)C(C)(C)C ZINC000931016501 640022151 /nfs/dbraw/zinc/02/21/51/640022151.db2.gz FLWLUKCIYDGXDT-LUAWRHEFSA-N 1 0 225.332 2.392 20 30 BEEDRO C=CC[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C(C)(C)C ZINC000931018082 640022876 /nfs/dbraw/zinc/02/28/76/640022876.db2.gz WVTUBKAIWXOTJK-RWMBFGLXSA-N 1 0 239.359 2.077 20 30 BEEDRO N#CC1CCC(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000931021000 640024805 /nfs/dbraw/zinc/02/48/05/640024805.db2.gz FKMFEWWWKONGES-NWINJMCUSA-N 1 0 248.370 2.209 20 30 BEEDRO C[C@H]1[C@@H](N(C)C)CC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931040285 640035659 /nfs/dbraw/zinc/03/56/59/640035659.db2.gz YIDDITKIUJHGNF-PPWQZUPISA-N 1 0 249.402 2.341 20 30 BEEDRO CCC(CC)CCC[N@H+](C)C[C@H](O)CC#N ZINC000931060486 640047019 /nfs/dbraw/zinc/04/70/19/640047019.db2.gz SYVASRHDSJFBGY-CYBMUJFWSA-N 1 0 226.364 2.409 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C/C=C\C(=O)OCC ZINC000931062494 640051154 /nfs/dbraw/zinc/05/11/54/640051154.db2.gz JQKDDMYDHTYPIY-SIDSAAMKSA-N 1 0 235.327 2.289 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nnc(C)o1 ZINC000931063414 640051175 /nfs/dbraw/zinc/05/11/75/640051175.db2.gz RHLRTEAMZMGRJV-TXEJJXNPSA-N 1 0 233.315 2.104 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C/C(C)=C/C(=O)OC)C1 ZINC000931162940 640084967 /nfs/dbraw/zinc/08/49/67/640084967.db2.gz HKHKXCABMQBJMK-JATZPVMKSA-N 1 0 223.316 2.004 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CC=CC12CCCCC2 ZINC000912473323 640089515 /nfs/dbraw/zinc/08/95/15/640089515.db2.gz FDSMTSNRTYEMIV-UHFFFAOYSA-N 1 0 248.370 2.206 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc2ccccn12 ZINC000150737798 640092917 /nfs/dbraw/zinc/09/29/17/640092917.db2.gz RGPRRZMVSWHEOV-UHFFFAOYSA-N 1 0 227.311 2.227 20 30 BEEDRO CS[C@@H](C)CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509519 640100546 /nfs/dbraw/zinc/10/05/46/640100546.db2.gz JSYPXVFGORNVKP-JTQLQIEISA-N 1 0 245.436 2.480 20 30 BEEDRO COC[C@H](C)CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509763 640100950 /nfs/dbraw/zinc/10/09/50/640100950.db2.gz PZMGNEHAEINTEU-LLVKDONJSA-N 1 0 243.395 2.011 20 30 BEEDRO CC(C)(C)NC(NCc1ccoc1)=[NH+]C1CC1 ZINC000912507388 640101902 /nfs/dbraw/zinc/10/19/02/640101902.db2.gz ZSPWCHLJCNKXJC-UHFFFAOYSA-N 1 0 235.331 2.276 20 30 BEEDRO CC(C)C[NH+]=C(N[C@@H]1C[C@H]1C)NC(C)(C)C ZINC000912508810 640102119 /nfs/dbraw/zinc/10/21/19/640102119.db2.gz QQXJPWLNGVGDBN-GHMZBOCLSA-N 1 0 225.380 2.385 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000931254800 640115277 /nfs/dbraw/zinc/11/52/77/640115277.db2.gz GEQBGGRPDKTQFN-RUXDESIVSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000931267244 640122949 /nfs/dbraw/zinc/12/29/49/640122949.db2.gz GSQHEFLPAQEKOZ-OKILXGFUSA-N 1 0 223.360 2.273 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC1(CC(C)C)CC1 ZINC000912706441 640173748 /nfs/dbraw/zinc/17/37/48/640173748.db2.gz YXVDGKBQPUPMCN-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1n[nH]cc1C[N@H+](C)CC1CCC(C#N)CC1 ZINC000931416723 640187191 /nfs/dbraw/zinc/18/71/91/640187191.db2.gz WLYUEEUPPVXKOE-UHFFFAOYSA-N 1 0 246.358 2.480 20 30 BEEDRO C[C@@H]1C[N@H+](CCC(C)(C)C#N)Cc2c[nH]nc21 ZINC000931461467 640221664 /nfs/dbraw/zinc/22/16/64/640221664.db2.gz UCGLSGUFAUVUPQ-SNVBAGLBSA-N 1 0 232.331 2.269 20 30 BEEDRO C=C1CC(C)(C(=O)N2CCC([NH+]3CCC3)CC2)C1 ZINC000912869464 640225348 /nfs/dbraw/zinc/22/53/48/640225348.db2.gz UINFPGQQYBMIBZ-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)N1CCn2ccnc21 ZINC000931525117 640256433 /nfs/dbraw/zinc/25/64/33/640256433.db2.gz CMAMJDXAHKPYJQ-LLVKDONJSA-N 1 0 238.294 2.336 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000931662567 640308182 /nfs/dbraw/zinc/30/81/82/640308182.db2.gz LQPMERLOXBDMHH-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCC(C)(F)F)CC1 ZINC000931700900 640323390 /nfs/dbraw/zinc/32/33/90/640323390.db2.gz SCLHVLBIIUFEIR-UHFFFAOYSA-N 1 0 245.313 2.272 20 30 BEEDRO N#CC1(CCCC[N@H+]2CC=C[C@@H]2CO)CCC1 ZINC000931701101 640324421 /nfs/dbraw/zinc/32/44/21/640324421.db2.gz WRIMJUHVDTWFLI-CYBMUJFWSA-N 1 0 234.343 2.083 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)c2snnc2C)C1 ZINC000931714837 640332645 /nfs/dbraw/zinc/33/26/45/640332645.db2.gz KOHVTHRKOAWFEN-MNOVXSKESA-N 1 0 235.356 2.253 20 30 BEEDRO Cc1cccc(NC(=[NH2+])NC[C@@]2(C)CCCO2)c1 ZINC000151246634 640350228 /nfs/dbraw/zinc/35/02/28/640350228.db2.gz LRWVKXXZPNBTNH-CQSZACIVSA-N 1 0 247.342 2.291 20 30 BEEDRO C=CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC000931925164 640392094 /nfs/dbraw/zinc/39/20/94/640392094.db2.gz NKMNJGWBALNDPD-CYBMUJFWSA-N 1 0 238.375 2.282 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](c2noc(C)n2)C1 ZINC000931935639 640397518 /nfs/dbraw/zinc/39/75/18/640397518.db2.gz GQEICZPFFLFWRW-GXSJLCMTSA-N 1 0 221.304 2.132 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000931998855 640408374 /nfs/dbraw/zinc/40/83/74/640408374.db2.gz BBDFNOOXKNVWGA-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H](c2ccn(C)n2)C1 ZINC000932130200 640434944 /nfs/dbraw/zinc/43/49/44/640434944.db2.gz MXTDMRKUUPRRRM-LLVKDONJSA-N 1 0 239.750 2.352 20 30 BEEDRO N#Cc1ccc(N[C@@H]2CC[NH2+]C3(CCC3)C2)nc1 ZINC000036268910 640447362 /nfs/dbraw/zinc/44/73/62/640447362.db2.gz NRGCXRWFSBRESG-GFCCVEGCSA-N 1 0 242.326 2.040 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@@H](Cc2nccs2)C1 ZINC000932200522 640452914 /nfs/dbraw/zinc/45/29/14/640452914.db2.gz FIANRFNPSWOYEJ-LBPRGKRZSA-N 1 0 234.368 2.421 20 30 BEEDRO C=C(Cl)CN1CCC[C@H]1c1ccnn1C ZINC000932259877 640459474 /nfs/dbraw/zinc/45/94/74/640459474.db2.gz BACMOVPCPYNLPZ-NSHDSACASA-N 1 0 225.723 2.310 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[N@H+](CC)CC1 ZINC000932352757 640496230 /nfs/dbraw/zinc/49/62/30/640496230.db2.gz SYEDVJBLUBHACS-CYBMUJFWSA-N 1 0 238.375 2.143 20 30 BEEDRO C#CC[N@H+](Cc1ccnc(C)c1)C(C)C ZINC000932383097 640511217 /nfs/dbraw/zinc/51/12/17/640511217.db2.gz DNQKEKQJOKFWEF-UHFFFAOYSA-N 1 0 202.301 2.234 20 30 BEEDRO C#CC[N@@H+](CCCc1cccnc1)C(C)C ZINC000932383094 640511884 /nfs/dbraw/zinc/51/18/84/640511884.db2.gz DITDYYDGXVCOAL-UHFFFAOYSA-N 1 0 216.328 2.358 20 30 BEEDRO C#CC[N@@H+](CC[C@@H]1CCCCO1)C(C)C ZINC000932384553 640512805 /nfs/dbraw/zinc/51/28/05/640512805.db2.gz UAAZOZVRERQJNI-ZDUSSCGKSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CC[N@H+](Cc1ccc(C#N)s1)C(C)C ZINC000932386783 640514466 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RHWJULHMWXQQFP-UHFFFAOYSA-N 1 0 242.322 2.281 20 30 BEEDRO C[C@H](COCC1CCCCC1)[NH2+]CCC#N ZINC000932426298 640524450 /nfs/dbraw/zinc/52/44/50/640524450.db2.gz ZKYFKBNTZJOGCA-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@@H](COCC1CCCCC1)[NH2+]CCC#N ZINC000932426301 640524469 /nfs/dbraw/zinc/52/44/69/640524469.db2.gz ZKYFKBNTZJOGCA-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C#CC[NH2+][C@H](C)COCC1CCCCC1 ZINC000932425741 640524672 /nfs/dbraw/zinc/52/46/72/640524672.db2.gz SMKWUYLUKQCXOL-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H]1C(=O)NC(C)(C)C ZINC000932435535 640527949 /nfs/dbraw/zinc/52/79/49/640527949.db2.gz YLMHPAOWYDUTFD-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1C(=O)NC(C)(C)C ZINC000932440027 640527959 /nfs/dbraw/zinc/52/79/59/640527959.db2.gz JGUBCBHRWGZDJF-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)NCCC)C(C)(C)C ZINC000932461846 640529869 /nfs/dbraw/zinc/52/98/69/640529869.db2.gz 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FACYUQXJJXBMOA-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CC[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)C(C)(C)C ZINC000932464207 640539003 /nfs/dbraw/zinc/53/90/03/640539003.db2.gz VHYILAOKIKHWEB-GFCCVEGCSA-N 1 0 249.354 2.206 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165226703 640550821 /nfs/dbraw/zinc/55/08/21/640550821.db2.gz XDHGCUHNMIIOMN-SNVBAGLBSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@H]1COC[C@@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000932490040 640554429 /nfs/dbraw/zinc/55/44/29/640554429.db2.gz VUKURBXONOPCNZ-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1COC[C@@H]1C ZINC000932488566 640554676 /nfs/dbraw/zinc/55/46/76/640554676.db2.gz LQIWCRXJLUNNTL-QWHCGFSZSA-N 1 0 209.333 2.195 20 30 BEEDRO C[C@H]1COC[C@@H]1[NH2+]CCCCC1(C#N)CCC1 ZINC000932490043 640554791 /nfs/dbraw/zinc/55/47/91/640554791.db2.gz VUKURBXONOPCNZ-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C#CCOCC[NH2+][C@@H](C)c1ccc(OC)c(C)c1 ZINC000932568600 640574586 /nfs/dbraw/zinc/57/45/86/640574586.db2.gz DAEKRAJZMSXZAW-ZDUSSCGKSA-N 1 0 247.338 2.304 20 30 BEEDRO COCC#CC[NH2+][C@@H](C)c1ccc(F)cc1C ZINC000932563454 640575304 /nfs/dbraw/zinc/57/53/04/640575304.db2.gz DKOSAQVFYXHRGS-LBPRGKRZSA-N 1 0 235.302 2.435 20 30 BEEDRO C#CCC[N@H+]1CCn2nc(C(C)(C)C)cc2C1 ZINC000932612963 640586554 /nfs/dbraw/zinc/58/65/54/640586554.db2.gz GIDQLKNXWYDHKL-UHFFFAOYSA-N 1 0 231.343 2.020 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000932700208 640602536 /nfs/dbraw/zinc/60/25/36/640602536.db2.gz OSFJWDGQPVFMGV-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO COc1ccc(C[NH2+]CC2(C)CC2)cc1C#N ZINC000224174896 640602577 /nfs/dbraw/zinc/60/25/77/640602577.db2.gz LGIXHJQTNKUBAM-UHFFFAOYSA-N 1 0 230.311 2.457 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000932722366 640604920 /nfs/dbraw/zinc/60/49/20/640604920.db2.gz XXDSTWDBUDKKGF-NEPJUHHUSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000932722368 640605185 /nfs/dbraw/zinc/60/51/85/640605185.db2.gz XXDSTWDBUDKKGF-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(O)(C3CCC3)CC2)C1 ZINC000932819289 640615054 /nfs/dbraw/zinc/61/50/54/640615054.db2.gz NLWLYZZLYMDNIM-JSGCOSHPSA-N 1 0 248.370 2.306 20 30 BEEDRO CCO[C@H]1CC[N@H+](Cc2ccc(C#N)s2)C1 ZINC000932975086 640658673 /nfs/dbraw/zinc/65/86/73/640658673.db2.gz XOFIQUHKAVYSRZ-JTQLQIEISA-N 1 0 236.340 2.231 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOC[C@@H]2CC2CC2)CC1 ZINC000933214885 640682136 /nfs/dbraw/zinc/68/21/36/640682136.db2.gz OCOMIZVZTHSOEX-ZDUSSCGKSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CCCCCC[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933215440 640683455 /nfs/dbraw/zinc/68/34/55/640683455.db2.gz DGSMCTOEXCEIMV-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCC1([NH2+]CCOC(C)(C)C)CCC1 ZINC000933298876 640691877 /nfs/dbraw/zinc/69/18/77/640691877.db2.gz KYXUTCIMONCRRR-UHFFFAOYSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)C(F)(F)F)CCCCC1 ZINC000933265076 640693897 /nfs/dbraw/zinc/69/38/97/640693897.db2.gz RLXVXGSAMDTLFH-SNVBAGLBSA-N 1 0 249.276 2.225 20 30 BEEDRO C#CCC1([NH2+]C[C@H](OCC)C2CC2)CCC1 ZINC000933294174 640698634 /nfs/dbraw/zinc/69/86/34/640698634.db2.gz HBUYSEXZOBOANS-ZDUSSCGKSA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC1([NH2+]CC2(COC)CCC2)CCC1 ZINC000933296523 640700441 /nfs/dbraw/zinc/70/04/41/640700441.db2.gz IMCPXUALMXWJQS-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](O)c2ccccc2F)CCC1 ZINC000933303675 640702261 /nfs/dbraw/zinc/70/22/61/640702261.db2.gz RFXKREUDTYGOHR-CQSZACIVSA-N 1 0 247.313 2.395 20 30 BEEDRO C=CC[NH2+][C@@]1(C)CCOc2ccccc21 ZINC000933363841 640708399 /nfs/dbraw/zinc/70/83/99/640708399.db2.gz DQJDMBOFDFGGQP-ZDUSSCGKSA-N 1 0 203.285 2.460 20 30 BEEDRO C=CC[NH2+][C@@](C)(CO)Cc1ccc(Cl)cc1 ZINC000933449135 640719873 /nfs/dbraw/zinc/71/98/73/640719873.db2.gz NDLSIIPYDUHHEN-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO CC(C)CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933653001 640738538 /nfs/dbraw/zinc/73/85/38/640738538.db2.gz 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HRMKYVRVSFPKJK-RYUDHWBXSA-N 1 0 215.300 2.351 20 30 BEEDRO CCCCCCC[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000158090043 640805624 /nfs/dbraw/zinc/80/56/24/640805624.db2.gz IATSNLDFDUSDDK-ZDUSSCGKSA-N 1 0 240.391 2.415 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1c(Cl)c(C)nn1C ZINC000229211157 640933988 /nfs/dbraw/zinc/93/39/88/640933988.db2.gz LDAVAFPMIKYUKD-SSDOTTSWSA-N 1 0 213.712 2.046 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc2cccnc21 ZINC000229547008 640967081 /nfs/dbraw/zinc/96/70/81/640967081.db2.gz OEVGRRKLJSAHPJ-LLVKDONJSA-N 1 0 210.280 2.346 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000229642650 640970064 /nfs/dbraw/zinc/97/00/64/640970064.db2.gz QVCAXUZWMHDCKX-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc(C)c1O ZINC000229883599 640990618 /nfs/dbraw/zinc/99/06/18/640990618.db2.gz OWDGXCUTODWESN-LBPRGKRZSA-N 1 0 203.285 2.202 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCc2cccnc21 ZINC000229892331 640992833 /nfs/dbraw/zinc/99/28/33/640992833.db2.gz 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QXMSRYHHDQAFQB-UHFFFAOYSA-N 1 0 233.311 2.294 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000929463609 641326355 /nfs/dbraw/zinc/32/63/55/641326355.db2.gz XZXXLQGAJBADAV-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO [NH2+]=C(NCC(C1CC1)C1CC1)NC1CCCC1 ZINC000088459366 641357306 /nfs/dbraw/zinc/35/73/06/641357306.db2.gz CVRQQDIXLBAYJY-UHFFFAOYSA-N 1 0 235.375 2.270 20 30 BEEDRO C=CC1CC[NH+](Cc2[nH]c(C)nc2C)CC1 ZINC000929619321 641378054 /nfs/dbraw/zinc/37/80/54/641378054.db2.gz RPHQCINMFCOLSM-UHFFFAOYSA-N 1 0 219.332 2.425 20 30 BEEDRO CC(C)[C@@H]1CCC[N@H+](C[C@H](O)CC#N)CC1 ZINC000929651099 641387534 /nfs/dbraw/zinc/38/75/34/641387534.db2.gz CTSDUPAXAALGKY-CHWSQXEVSA-N 1 0 224.348 2.019 20 30 BEEDRO COC[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC000929693722 641401298 /nfs/dbraw/zinc/40/12/98/641401298.db2.gz POMHTXSOFPXFOL-RUXDESIVSA-N 1 0 236.359 2.285 20 30 BEEDRO CCC(=[NH+]N[C@H]1CCCOC1)c1cccc(N)c1 ZINC000814908274 641413894 /nfs/dbraw/zinc/41/38/94/641413894.db2.gz LYYVROPNLVPYHR-ZDUSSCGKSA-N 1 0 247.342 2.152 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCC(C)(F)F ZINC000929719922 641419256 /nfs/dbraw/zinc/41/92/56/641419256.db2.gz JXHMEWBTFRLDIS-UHFFFAOYSA-N 1 0 213.271 2.380 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000935549078 641426062 /nfs/dbraw/zinc/42/60/62/641426062.db2.gz YRNSYGGOOHRXNO-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCC(C)(C)CC ZINC000913648510 641447175 /nfs/dbraw/zinc/44/71/75/641447175.db2.gz GYLLZQDZGNHOAD-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000090397339 641481513 /nfs/dbraw/zinc/48/15/13/641481513.db2.gz KOTPUWZCTNTJLW-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000935798855 641486297 /nfs/dbraw/zinc/48/62/97/641486297.db2.gz IXLBZHVXYRXBFF-OLZOCXBDSA-N 1 0 238.375 2.330 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[N@H+](CC)C[C@H]1C ZINC000935931262 641503276 /nfs/dbraw/zinc/50/32/76/641503276.db2.gz 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1 0 226.364 2.320 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC000832722399 641680667 /nfs/dbraw/zinc/68/06/67/641680667.db2.gz ZVVJIGCKPWFYKT-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914433812 641703394 /nfs/dbraw/zinc/70/33/94/641703394.db2.gz WYVDTEZDSGXXLU-QWHCGFSZSA-N 1 0 236.359 2.331 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2=CCCC2)C[C@H]1C ZINC000947187289 641703983 /nfs/dbraw/zinc/70/39/83/641703983.db2.gz VCZICCGBVXOFSL-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914436107 641705051 /nfs/dbraw/zinc/70/50/51/641705051.db2.gz PJMUZAGBMZABPU-UHTWSYAYSA-N 1 0 209.333 2.356 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC2(CC2)CC1)[C@@H]1CCCO1 ZINC000754099232 641715682 /nfs/dbraw/zinc/71/56/82/641715682.db2.gz CABYBYXDQLEPLD-KBPBESRZSA-N 1 0 233.355 2.480 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)C(C)C)[C@H]1C ZINC000993053524 641717405 /nfs/dbraw/zinc/71/74/05/641717405.db2.gz PFURZOMPUUHFCN-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO CC(C)C(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000187849098 641729600 /nfs/dbraw/zinc/72/96/00/641729600.db2.gz DUDZKDAFFNQHQW-UHFFFAOYSA-N 1 0 213.369 2.371 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1c(C)cccc1C ZINC000153325049 641758069 /nfs/dbraw/zinc/75/80/69/641758069.db2.gz OVEAAZOPOZHQFP-UHFFFAOYSA-N 1 0 233.359 2.460 20 30 BEEDRO C#C[C@@H](CC)OC(=O)c1cccc(C[NH+](C)C)c1 ZINC000835310592 641786705 /nfs/dbraw/zinc/78/67/05/641786705.db2.gz IKYXCUDBLGJRJL-AWEZNQCLSA-N 1 0 245.322 2.317 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)c(F)c1 ZINC000189557307 641809377 /nfs/dbraw/zinc/80/93/77/641809377.db2.gz NEXCCKCYAVMREC-CYBMUJFWSA-N 1 0 246.285 2.480 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)C2=CCCC2)[C@@H]1C ZINC000993220757 641828869 /nfs/dbraw/zinc/82/88/69/641828869.db2.gz ZHSZIEVQFOKSOF-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C2=CCCC2)[C@H]1C ZINC000993220765 641828911 /nfs/dbraw/zinc/82/89/11/641828911.db2.gz ZHSZIEVQFOKSOF-OCCSQVGLSA-N 1 0 248.370 2.252 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1ccc(C#N)c(F)c1 ZINC000190128407 641843844 /nfs/dbraw/zinc/84/38/44/641843844.db2.gz AQMYUNIZASIXHE-UHFFFAOYSA-N 1 0 235.262 2.142 20 30 BEEDRO [NH2+]=C(NCc1ccc(C2CC2)cc1)NC1CC1 ZINC000190471833 641867526 /nfs/dbraw/zinc/86/75/26/641867526.db2.gz IWCDFFIYLJESTI-UHFFFAOYSA-N 1 0 229.327 2.131 20 30 BEEDRO CC(CC[NH+](C)C)N=Nc1ccccc1 ZINC000915933294 641889050 /nfs/dbraw/zinc/88/90/50/641889050.db2.gz RGJBHPQJGTVCGV-UHFFFAOYSA-N 1 0 205.305 2.426 20 30 BEEDRO CCCN[NH+]=C(C)c1ccc(N(C)C)cc1 ZINC000915965084 641893282 /nfs/dbraw/zinc/89/32/82/641893282.db2.gz DLVJMKRJMGRRMV-UHFFFAOYSA-N 1 0 219.332 2.476 20 30 BEEDRO C=C(C)CN1CCN(C(=O)C2(C)CC(=C)C2)CC1 ZINC000950373113 641917332 /nfs/dbraw/zinc/91/73/32/641917332.db2.gz GKJPNQUNDPJXIT-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO CCCNC(=[NH2+])NCC(C(C)C)C(C)C ZINC000191705482 641939306 /nfs/dbraw/zinc/93/93/06/641939306.db2.gz ZAIXALMQEIJSAO-UHFFFAOYSA-N 1 0 213.369 2.229 20 30 BEEDRO C[N@@H+]1CCC[C@@H]1CSc1cc(C#N)ccn1 ZINC000916690651 641967083 /nfs/dbraw/zinc/96/70/83/641967083.db2.gz UDQFFSXYZWHKME-LLVKDONJSA-N 1 0 233.340 2.140 20 30 BEEDRO C=CC[N@@H+](CC(=O)N[C@H](C)C(C)C)C(C)C ZINC000917071569 642003517 /nfs/dbraw/zinc/00/35/17/642003517.db2.gz WMFKCSHMKJFDQD-GFCCVEGCSA-N 1 0 226.364 2.044 20 30 BEEDRO C=CC[N@H+](CC(=O)N1CCC[C@@H](C)C1)C(C)C ZINC000917071373 642004701 /nfs/dbraw/zinc/00/47/01/642004701.db2.gz SDQCEKQOYKGQOK-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CC(CCc1ccc(F)cc1)=[NH+]n1cnnc1 ZINC000917528644 642081315 /nfs/dbraw/zinc/08/13/15/642081315.db2.gz BJSPONRRXCQYCH-UHFFFAOYSA-N 1 0 232.262 2.274 20 30 BEEDRO C#CC[NH+](CC#C)CCCSCC(C)C ZINC000154744879 642214288 /nfs/dbraw/zinc/21/42/88/642214288.db2.gz SUDQALYOLYFNMN-UHFFFAOYSA-N 1 0 223.385 2.334 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925455479 642245194 /nfs/dbraw/zinc/24/51/94/642245194.db2.gz NIZBVIWHFYEYBB-STQMWFEESA-N 1 0 241.400 2.004 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC000971253849 642333405 /nfs/dbraw/zinc/33/34/05/642333405.db2.gz HHHVIDRKBPSEAZ-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000971330335 642361920 /nfs/dbraw/zinc/36/19/20/642361920.db2.gz CTBKOFKSPHVBSR-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCC(=O)O2)CCCCC1 ZINC000933265118 642433690 /nfs/dbraw/zinc/43/36/90/642433690.db2.gz AWNROIZEVZLGHC-LBPRGKRZSA-N 1 0 235.327 2.008 20 30 BEEDRO C=C(Br)C[NH2+][C@H](CO)C1CCCC1 ZINC000308158341 642450201 /nfs/dbraw/zinc/45/02/01/642450201.db2.gz CHOJOXCKPCNGAX-SNVBAGLBSA-N 1 0 248.164 2.036 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933290741 642480583 /nfs/dbraw/zinc/48/05/83/642480583.db2.gz XKWMTDPLVTZGBE-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO CC(CCc1ccc(C)cc1)=[NH+]n1cnnc1 ZINC000920359319 642480989 /nfs/dbraw/zinc/48/09/89/642480989.db2.gz KPRHNABVUCORCR-UHFFFAOYSA-N 1 0 228.299 2.443 20 30 BEEDRO C#CCC1([NH2+]Cc2[nH]c(C)nc2C)CCC1 ZINC000933294588 642494845 /nfs/dbraw/zinc/49/48/45/642494845.db2.gz RGRCOHYQXHENCV-UHFFFAOYSA-N 1 0 217.316 2.062 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2C[C@@H]3CCC[C@H]3O2)CCC1 ZINC000933295559 642498742 /nfs/dbraw/zinc/49/87/42/642498742.db2.gz XDXOOPXTZYXBDA-MELADBBJSA-N 1 0 233.355 2.480 20 30 BEEDRO C#CCC1([NH2+]CCc2cscn2)CCC1 ZINC000933296510 642501172 /nfs/dbraw/zinc/50/11/72/642501172.db2.gz IDJCNRFVCCBYDK-UHFFFAOYSA-N 1 0 220.341 2.221 20 30 BEEDRO C#CCC1([NH2+]Cc2nnc(C(C)(C)C)[nH]2)CCC1 ZINC000933297204 642509192 /nfs/dbraw/zinc/50/91/92/642509192.db2.gz ZGDQTDBEMZDRDA-UHFFFAOYSA-N 1 0 246.358 2.138 20 30 BEEDRO CCCC1CCC(=[NH+]n2cnnc2)CC1 ZINC000920947890 642564842 /nfs/dbraw/zinc/56/48/42/642564842.db2.gz XXLWWVOPGCOZHK-UHFFFAOYSA-N 1 0 206.293 2.473 20 30 BEEDRO CC[NH+]1CCC(/N=C\c2cccc(O)c2O)CC1 ZINC000920943949 642565686 /nfs/dbraw/zinc/56/56/86/642565686.db2.gz GBRRPVCDXMGHCX-GDNBJRDFSA-N 1 0 248.326 2.001 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)c(C)c(O)c1 ZINC000921383153 642608157 /nfs/dbraw/zinc/60/81/57/642608157.db2.gz PXMMAZRAYUEMJV-UHFFFAOYSA-N 1 0 248.326 2.065 20 30 BEEDRO CCCCCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000305034462 642632521 /nfs/dbraw/zinc/63/25/21/642632521.db2.gz SAHBCXKTSWIMGI-LLVKDONJSA-N 1 0 243.420 2.367 20 30 BEEDRO [NH2+]=C(NCc1cccc(O)c1)N1CCCCCC1 ZINC000305056879 642634756 /nfs/dbraw/zinc/63/47/56/642634756.db2.gz JMWVLXXSSDPTNY-UHFFFAOYSA-N 1 0 247.342 2.083 20 30 BEEDRO CSCC[NH2+]Cc1csc(C#N)c1 ZINC000921481109 642635143 /nfs/dbraw/zinc/63/51/43/642635143.db2.gz BBYTVOLJRYVYQL-UHFFFAOYSA-N 1 0 212.343 2.072 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](COCC)C(C)C ZINC000233725925 642689952 /nfs/dbraw/zinc/68/99/52/642689952.db2.gz JPAJHXHSOUXKIK-SNVBAGLBSA-N 1 0 205.729 2.390 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ncc(C)c(OC)c1C)C(C)C ZINC000305949940 642713593 /nfs/dbraw/zinc/71/35/93/642713593.db2.gz UJYKRWRFWLYEKF-ZDUSSCGKSA-N 1 0 246.354 2.454 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)Cc1ccccc1F ZINC000305950983 642713752 /nfs/dbraw/zinc/71/37/52/642713752.db2.gz ABEXEVGCTHDKAX-NSHDSACASA-N 1 0 236.290 2.186 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](N(C)C(C)=O)CC1 ZINC000948108466 642717714 /nfs/dbraw/zinc/71/77/14/642717714.db2.gz FTCPWSKNNUQUGV-LBPRGKRZSA-N 1 0 244.766 2.072 20 30 BEEDRO N#CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000180015320 642764459 /nfs/dbraw/zinc/76/44/59/642764459.db2.gz ILHZEQAUSJQSOD-UHFFFAOYSA-N 1 0 216.284 2.128 20 30 BEEDRO CN(C)C(=[NH2+])NC[C@]1(C)CCCc2ccccc21 ZINC000180516065 642801369 /nfs/dbraw/zinc/80/13/69/642801369.db2.gz WVUIQPDGWATPLY-HNNXBMFYSA-N 1 0 245.370 2.157 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(F)=C(C)C)C1 ZINC000968380722 642809786 /nfs/dbraw/zinc/80/97/86/642809786.db2.gz OCISKDQDYFEKQM-LLVKDONJSA-N 1 0 240.322 2.016 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001006687132 642825855 /nfs/dbraw/zinc/82/58/55/642825855.db2.gz WXVASKMYBQSILO-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001010094327 642851344 /nfs/dbraw/zinc/85/13/44/642851344.db2.gz JCESUVGQEMDOPA-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001010508993 642867072 /nfs/dbraw/zinc/86/70/72/642867072.db2.gz VVQJSOSRSLGBFZ-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2=CCCC2)C1 ZINC001010544814 642867623 /nfs/dbraw/zinc/86/76/23/642867623.db2.gz JGISPWTZYSBJME-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)C(C)(C)C)C[C@@H]1C ZINC000939584243 642879334 /nfs/dbraw/zinc/87/93/34/642879334.db2.gz BQTKTQUMBGMYPD-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)C(C)(C)C)C[C@H]1C ZINC000939584234 642879346 /nfs/dbraw/zinc/87/93/46/642879346.db2.gz BQTKTQUMBGMYPD-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCC[NH2+]C1(c2ccccc2F)CC1 ZINC000271773523 642926661 /nfs/dbraw/zinc/92/66/61/642926661.db2.gz KGQZXSBTCQPGQO-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1 ZINC001018491999 642992838 /nfs/dbraw/zinc/99/28/38/642992838.db2.gz GYQQPIVHXITYTD-KBPBESRZSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001018492000 642993458 /nfs/dbraw/zinc/99/34/58/642993458.db2.gz GYQQPIVHXITYTD-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccc(OC)cc1OC ZINC000070245555 643004867 /nfs/dbraw/zinc/00/48/67/643004867.db2.gz YKVAAFTYVOUWIP-NSHDSACASA-N 1 0 233.311 2.378 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000940584713 643015056 /nfs/dbraw/zinc/01/50/56/643015056.db2.gz XUZRBCPBGXHACV-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)C)C(C)(C)C1 ZINC000940584709 643016027 /nfs/dbraw/zinc/01/60/27/643016027.db2.gz XUZRBCPBGXHACV-GFCCVEGCSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2C)C1 ZINC001019948994 643048331 /nfs/dbraw/zinc/04/83/31/643048331.db2.gz ATGJHNTYQWAJLU-JOCQHMNTSA-N 1 0 244.338 2.031 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2)C1 ZINC001019945654 643049370 /nfs/dbraw/zinc/04/93/70/643049370.db2.gz OJMBBESIJIEPHD-HDJSIYSDSA-N 1 0 244.338 2.113 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1cccc(F)c1 ZINC000182819049 643067927 /nfs/dbraw/zinc/06/79/27/643067927.db2.gz JCFVVXNAQBOWNT-UHFFFAOYSA-N 1 0 229.298 2.327 20 30 BEEDRO C[C@@](O)(C[NH+]1CCC(C#N)CC1)c1ccccc1 ZINC000070939596 643085034 /nfs/dbraw/zinc/08/50/34/643085034.db2.gz BJOPYXOFVHEHBJ-OAHLLOKOSA-N 1 0 244.338 2.130 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)C=CCC2)C1 ZINC001020476156 643150978 /nfs/dbraw/zinc/15/09/78/643150978.db2.gz JBHDIHINJNMOBL-UMVBOHGHSA-N 1 0 248.370 2.156 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)CC(=O)OC(C)(C)C ZINC000183908636 643180654 /nfs/dbraw/zinc/18/06/54/643180654.db2.gz QTOXTQPNYDFMQZ-LBPRGKRZSA-N 1 0 239.359 2.500 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]CCC)C1 ZINC000969831103 643224383 /nfs/dbraw/zinc/22/43/83/643224383.db2.gz ANXIPFPEOKMHHT-OCCSQVGLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(Cl)C[N@H+](CCCC)CCOC ZINC000069250930 643247257 /nfs/dbraw/zinc/24/72/57/643247257.db2.gz KIKVEEUTYWYYKI-UHFFFAOYSA-N 1 0 205.729 2.487 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CC)CC1(C)C ZINC000995490594 643306597 /nfs/dbraw/zinc/30/65/97/643306597.db2.gz BEBFLNPXLNEFGJ-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)[C@@H](C)CC)CC1(C)C ZINC000995490591 643306850 /nfs/dbraw/zinc/30/68/50/643306850.db2.gz BEBFLNPXLNEFGJ-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C[C@]1(O)CCOC1 ZINC000185537534 643330993 /nfs/dbraw/zinc/33/09/93/643330993.db2.gz PSOXXDMXJUKISU-UONOGXRCSA-N 1 0 243.391 2.476 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C=C2CCC2)CC1(C)C ZINC000995660776 643370962 /nfs/dbraw/zinc/37/09/62/643370962.db2.gz MBZQTBWJTMAGCO-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO N#Cc1cc(C[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000921520668 643580643 /nfs/dbraw/zinc/58/06/43/643580643.db2.gz VHEYVSXWEKZVAU-NSHDSACASA-N 1 0 236.340 2.278 20 30 BEEDRO C[NH+](C)[C@H](CNCc1csc(C#N)c1)C1CC1 ZINC000921556148 643604902 /nfs/dbraw/zinc/60/49/02/643604902.db2.gz IGZAFEROEYTIQE-CYBMUJFWSA-N 1 0 249.383 2.050 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000921590268 643615543 /nfs/dbraw/zinc/61/55/43/643615543.db2.gz YINXIRJEVKKIDY-LLVKDONJSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CC2CCC1CC2 ZINC000320300972 643654052 /nfs/dbraw/zinc/65/40/52/643654052.db2.gz SPEJVNPEPKHZOX-TUUUFIMRSA-N 1 0 209.333 2.092 20 30 BEEDRO CC(C)[N@H+](C)CCNCc1csc(C#N)c1 ZINC000921649491 643699925 /nfs/dbraw/zinc/69/99/25/643699925.db2.gz IETFOVGUYJPDPA-UHFFFAOYSA-N 1 0 237.372 2.050 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C(C)=C2CCC2)C1 ZINC000999118694 643730800 /nfs/dbraw/zinc/73/08/00/643730800.db2.gz VOWYEWWODVJOTQ-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)CC)C1 ZINC001000042216 643747977 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/nfs/dbraw/zinc/87/61/09/643876109.db2.gz MMBPJKYKUHSQHX-UHFFFAOYSA-N 1 0 233.359 2.211 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C12CCC2 ZINC000424320208 643885305 /nfs/dbraw/zinc/88/53/05/643885305.db2.gz FUMXKDYUTQYMHY-LOWDOPEQSA-N 1 0 234.343 2.226 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922166120 643885871 /nfs/dbraw/zinc/88/58/71/643885871.db2.gz AUOOXTRPGNCDLE-NSHDSACASA-N 1 0 236.340 2.036 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2csc(C#N)c2)O1 ZINC000922170205 643889850 /nfs/dbraw/zinc/88/98/50/643889850.db2.gz ALORQYGDQBWHDE-ONGXEEELSA-N 1 0 236.340 2.277 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccnn2C2CCC2)C1 ZINC000922198764 643899358 /nfs/dbraw/zinc/89/93/58/643899358.db2.gz UHZKJXHRDJVQEO-NEPJUHHUSA-N 1 0 244.342 2.390 20 30 BEEDRO C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCC#N ZINC000426004103 643900948 /nfs/dbraw/zinc/90/09/48/643900948.db2.gz USBXUFTZENTWAP-LLVKDONJSA-N 1 0 242.326 2.387 20 30 BEEDRO CC[C@@H](O)C[NH2+]Cc1c(C)cc(C#N)cc1C ZINC000922246184 643920035 /nfs/dbraw/zinc/92/00/35/643920035.db2.gz IUFQFOUSYBDENV-CYBMUJFWSA-N 1 0 232.327 2.036 20 30 BEEDRO C=CCOCCC[NH2+]Cc1csc(C#N)c1 ZINC000922249719 643920354 /nfs/dbraw/zinc/92/03/54/643920354.db2.gz ZPSSIOCCOYRELJ-UHFFFAOYSA-N 1 0 236.340 2.302 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000922299189 643961743 /nfs/dbraw/zinc/96/17/43/643961743.db2.gz NIOCVQZXZQZRLM-JHJVBQTASA-N 1 0 241.400 2.289 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C(OC)OC)C1 ZINC000922314228 643966952 /nfs/dbraw/zinc/96/69/52/643966952.db2.gz WUNUSOKMHCSBDW-UTUOFQBUSA-N 1 0 227.348 2.328 20 30 BEEDRO COC(OC)[C@@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000922312740 643967050 /nfs/dbraw/zinc/96/70/50/643967050.db2.gz AGIXEWZWGUTCHL-XSRFYTQQSA-N 1 0 240.347 2.056 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1csc(C#N)c1 ZINC000922319848 643970365 /nfs/dbraw/zinc/97/03/65/643970365.db2.gz JOYGLTCNXAOEHM-GXSJLCMTSA-N 1 0 238.356 2.259 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000922331138 643973553 /nfs/dbraw/zinc/97/35/53/643973553.db2.gz ZJVWDJDYPJGPOZ-AULYBMBSSA-N 1 0 230.311 2.069 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cnn(C2CCC2)c1 ZINC000922335921 643973592 /nfs/dbraw/zinc/97/35/92/643973592.db2.gz RHYBJBRFJLIMKN-CYBMUJFWSA-N 1 0 249.358 2.025 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)C1CCC1 ZINC000320920866 643978298 /nfs/dbraw/zinc/97/82/98/643978298.db2.gz CRNWNXCZGQXCGW-OLZOCXBDSA-N 1 0 211.349 2.482 20 30 BEEDRO CCCCCCC[C@@H](C)CNC(=O)[C@H](C)[NH3+] ZINC000155090475 644049676 /nfs/dbraw/zinc/04/96/76/644049676.db2.gz CKZKMHGMIFRIFZ-NEPJUHHUSA-N 1 0 228.380 2.446 20 30 BEEDRO CCNC(NCCCCCSC)=[NH+]CC ZINC000186889057 644153712 /nfs/dbraw/zinc/15/37/12/644153712.db2.gz UNPJJJJSGKKWLC-UHFFFAOYSA-N 1 0 231.409 2.095 20 30 BEEDRO CC(C)=CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000229114678 644167740 /nfs/dbraw/zinc/16/77/40/644167740.db2.gz GGGXUWZIFMUTKX-CQSZACIVSA-N 1 0 230.311 2.147 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCO[C@H]2CCOC2)C1 ZINC000922936326 644194139 /nfs/dbraw/zinc/19/41/39/644194139.db2.gz FXEZMGNPFPIXJX-MCIONIFRSA-N 1 0 239.359 2.126 20 30 BEEDRO C#CCC1([NH2+]Cc2cn[nH]c2)CCCCC1 ZINC000922982693 644210039 /nfs/dbraw/zinc/21/00/39/644210039.db2.gz FAPLWKOKXHFNCH-UHFFFAOYSA-N 1 0 217.316 2.226 20 30 BEEDRO C#CCC1([NH2+]C[C@@H]2CCOC2)CCCCC1 ZINC000922981273 644213825 /nfs/dbraw/zinc/21/38/25/644213825.db2.gz KWIRGZSGTZYCIR-ZDUSSCGKSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(C)o2)CCC1 ZINC000922999986 644217655 /nfs/dbraw/zinc/21/76/55/644217655.db2.gz XAULQLZBOKOKOJ-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C#CCC1([NH2+]Cc2nccn2C(C)C)CCC1 ZINC000923000183 644217760 /nfs/dbraw/zinc/21/77/60/644217760.db2.gz ZCIJNOBWGMCTDB-UHFFFAOYSA-N 1 0 231.343 2.500 20 30 BEEDRO C#CCC1([NH2+]Cc2cnn(C=C)c2)CCC1 ZINC000922997554 644221055 /nfs/dbraw/zinc/22/10/55/644221055.db2.gz KJWXSBQIYYUJOA-UHFFFAOYSA-N 1 0 215.300 2.019 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(OC)nc2)CCC1 ZINC000922997825 644221309 /nfs/dbraw/zinc/22/13/09/644221309.db2.gz MUSAPDSBDOHHIC-UHFFFAOYSA-N 1 0 230.311 2.126 20 30 BEEDRO C#CCC1([NH2+]Cc2cnc(Cl)n2C)CCC1 ZINC000922997718 644221437 /nfs/dbraw/zinc/22/14/37/644221437.db2.gz BMKUWFFTMZRRMT-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CCSCC[NH2+][C@H](C)c1cccc(O)c1 ZINC000194156895 644300991 /nfs/dbraw/zinc/30/09/91/644300991.db2.gz TYVHKXYDFPWBCP-LLVKDONJSA-N 1 0 235.352 2.409 20 30 BEEDRO CCCCCCCCNC(=[NH2+])N[C@@H](CC)CO ZINC000187140445 644335079 /nfs/dbraw/zinc/33/50/79/644335079.db2.gz AUBUBPHICWKKNE-LBPRGKRZSA-N 1 0 243.395 2.022 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000740876330 644561134 /nfs/dbraw/zinc/56/11/34/644561134.db2.gz QRGYIMKNJDWBAE-CYBMUJFWSA-N 1 0 240.391 2.413 20 30 BEEDRO C=C(Cl)CN(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246532059 644593129 /nfs/dbraw/zinc/59/31/29/644593129.db2.gz JKVGDZGZUOIHAC-CMPLNLGQSA-N 1 0 230.783 2.401 20 30 BEEDRO Cc1cc(C#N)ccc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000091392392 644624048 /nfs/dbraw/zinc/62/40/48/644624048.db2.gz KCKXVUJXOOWZRU-CQSZACIVSA-N 1 0 243.354 2.397 20 30 BEEDRO CCc1ccc(CCC=[NH+]n2cnnc2)cc1 ZINC000758070936 644633932 /nfs/dbraw/zinc/63/39/32/644633932.db2.gz XCWCJMHOGZBENS-UHFFFAOYSA-N 1 0 228.299 2.307 20 30 BEEDRO CC(C[C@@H](C)CC(C)C)=NNC1=[NH+][C@H](C)CN1 ZINC000779797883 644715432 /nfs/dbraw/zinc/71/54/32/644715432.db2.gz LJBXLHLFIXWNJM-CMPLNLGQSA-N 1 0 238.379 2.372 20 30 BEEDRO CC(CCC1CCCC1)=NNC1=[NH+][C@@H](C)CN1 ZINC000779805546 644718112 /nfs/dbraw/zinc/71/81/12/644718112.db2.gz OKJXRQGHASNGAN-NSHDSACASA-N 1 0 236.363 2.270 20 30 BEEDRO CCNC(NCc1cc2ccccc2[nH]1)=[NH+]CC ZINC000303257050 644813074 /nfs/dbraw/zinc/81/30/74/644813074.db2.gz ITGQQNDSXCHECS-UHFFFAOYSA-N 1 0 244.342 2.243 20 30 BEEDRO C[NH+]=C(NCC1CCC(C)CC1)NC1CC1 ZINC000303414371 644822239 /nfs/dbraw/zinc/82/22/39/644822239.db2.gz ZZANPFIAJHBEJW-UHFFFAOYSA-N 1 0 223.364 2.140 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2cc(F)cc(C)c2C1 ZINC000800472075 644835156 /nfs/dbraw/zinc/83/51/56/644835156.db2.gz GQKBSKNYHLAVLS-OAHLLOKOSA-N 1 0 249.329 2.429 20 30 BEEDRO CCCCNC(=[NH2+])Nc1cccc(OC)c1 ZINC000303692077 644838454 /nfs/dbraw/zinc/83/84/54/644838454.db2.gz AZGRNOMBXFPTCD-UHFFFAOYSA-N 1 0 221.304 2.222 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC1CCC1 ZINC000303706844 644838893 /nfs/dbraw/zinc/83/88/93/644838893.db2.gz LYPDDSFOTASTNN-UHFFFAOYSA-N 1 0 211.353 2.271 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000801924716 644845974 /nfs/dbraw/zinc/84/59/74/644845974.db2.gz TYNMSJKZTCTTEM-OCCSQVGLSA-N 1 0 230.311 2.362 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000801926412 644847129 /nfs/dbraw/zinc/84/71/29/644847129.db2.gz PZBKXGIRFCEVND-ZFWWWQNUSA-N 1 0 244.338 2.232 20 30 BEEDRO CC(C)CCNC(=[NH2+])NC[C@H]1Cc2ccccc21 ZINC000303880291 644854095 /nfs/dbraw/zinc/85/40/95/644854095.db2.gz KEPPGRCBWWJHFK-CYBMUJFWSA-N 1 0 245.370 2.277 20 30 BEEDRO CCCCCCNC(=[NH2+])NCC(O)(CC)CC ZINC000303976206 644861810 /nfs/dbraw/zinc/86/18/10/644861810.db2.gz JXWBQBPXEQPBPW-UHFFFAOYSA-N 1 0 243.395 2.022 20 30 BEEDRO CC(C)CNC(=[NH2+])NCc1cc2ccccc2[nH]1 ZINC000303985280 644863431 /nfs/dbraw/zinc/86/34/31/644863431.db2.gz SUZSHCUGFSXQQI-UHFFFAOYSA-N 1 0 244.342 2.228 20 30 BEEDRO Cc1ccc(OCCCNC(=[NH2+])NC(C)C)cc1 ZINC000303981533 644863753 /nfs/dbraw/zinc/86/37/53/644863753.db2.gz PDMCIKYNVNCAMK-UHFFFAOYSA-N 1 0 249.358 2.077 20 30 BEEDRO Cc1csc([C@H](C)[NH2+]CCO[C@@H](C)C#N)n1 ZINC000304237562 644878053 /nfs/dbraw/zinc/87/80/53/644878053.db2.gz MVNSLBXYKUQPQS-UWVGGRQHSA-N 1 0 239.344 2.031 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1CCCCC1(C)C ZINC000304234712 644878878 /nfs/dbraw/zinc/87/88/78/644878878.db2.gz LVXJMHGSAQJOCL-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCCC[C@@H]1C ZINC000304251395 644882203 /nfs/dbraw/zinc/88/22/03/644882203.db2.gz RAUOTBACIYDEEK-XQQFMLRXSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCCC[C@H]1C ZINC000304251392 644882255 /nfs/dbraw/zinc/88/22/55/644882255.db2.gz RAUOTBACIYDEEK-JHJVBQTASA-N 1 0 224.348 2.426 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H](O)C(C)(C)C ZINC000304258404 644882911 /nfs/dbraw/zinc/88/29/11/644882911.db2.gz SPIWDLAWADQMQQ-LBPRGKRZSA-N 1 0 226.364 2.265 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C1CCC(C)CC1 ZINC000304281422 644886222 /nfs/dbraw/zinc/88/62/22/644886222.db2.gz XIXIIPDGQWOAPJ-OTTFEQOBSA-N 1 0 224.348 2.426 20 30 BEEDRO CCNC(NCC[C@@H](OCC)C(C)C)=[NH+]CC ZINC000304434099 644904850 /nfs/dbraw/zinc/90/48/50/644904850.db2.gz QTYQEEYSMHAYEA-GFCCVEGCSA-N 1 0 243.395 2.013 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304597602 644919881 /nfs/dbraw/zinc/91/98/81/644919881.db2.gz GBPWWGOABGFOAV-NSHDSACASA-N 1 0 219.332 2.023 20 30 BEEDRO CC(C)c1cc(CNC(=[NH2+])NC(C)(C)C)on1 ZINC000304751288 644927662 /nfs/dbraw/zinc/92/76/62/644927662.db2.gz JDQFOQOHNQXSAW-UHFFFAOYSA-N 1 0 238.335 2.001 20 30 BEEDRO CC(C)NC(=[NH2+])NC/C=C/c1ccccc1 ZINC000304740109 644929081 /nfs/dbraw/zinc/92/90/81/644929081.db2.gz BMZSVMVANGOMSK-RMKNXTFCSA-N 1 0 217.316 2.013 20 30 BEEDRO CN(C)C(=[NH+]C[C@H]1C[C@@H]1c1ccccc1)N(C)C ZINC000304756347 644930755 /nfs/dbraw/zinc/93/07/55/644930755.db2.gz NQDZCBPYYYSYOM-ZIAGYGMSSA-N 1 0 245.370 2.269 20 30 BEEDRO CSC(C)(C)CNC(=[NH2+])NCCC(C)C ZINC000304756590 644930835 /nfs/dbraw/zinc/93/08/35/644930835.db2.gz NVUIWASTCZZCEC-UHFFFAOYSA-N 1 0 231.409 2.078 20 30 BEEDRO COC(C)(C)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000304757415 644930972 /nfs/dbraw/zinc/93/09/72/644930972.db2.gz OVIDRZABRRVWDJ-UHFFFAOYSA-N 1 0 249.358 2.455 20 30 BEEDRO CC(C)CNC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304759334 644931031 /nfs/dbraw/zinc/93/10/31/644931031.db2.gz QZTPBWJSOHUHLU-ZIAGYGMSSA-N 1 0 245.370 2.350 20 30 BEEDRO CC1(CNC(=[NH2+])NCC2CCC2)CCCC1 ZINC000304757926 644931097 /nfs/dbraw/zinc/93/10/97/644931097.db2.gz PIYZYIBROKCQLU-UHFFFAOYSA-N 1 0 223.364 2.271 20 30 BEEDRO Cc1cccc(O[C@@H](C)CNC(=[NH2+])NC(C)C)c1 ZINC000304796315 644932906 /nfs/dbraw/zinc/93/29/06/644932906.db2.gz MSKLHJQBCJPLDY-LBPRGKRZSA-N 1 0 249.358 2.075 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@H]1C[C@@H]1c1ccccc1 ZINC000304765834 644933291 /nfs/dbraw/zinc/93/32/91/644933291.db2.gz ZVNWLTAUFMFALT-CHWSQXEVSA-N 1 0 245.370 2.493 20 30 BEEDRO CC(C)NC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000304803728 644934502 /nfs/dbraw/zinc/93/45/02/644934502.db2.gz QFGAHUDUTDCAQF-JTQLQIEISA-N 1 0 239.388 2.239 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C)cc1OC ZINC000304977007 644942702 /nfs/dbraw/zinc/94/27/02/644942702.db2.gz BFTQFODVTBLCPD-NSHDSACASA-N 1 0 249.358 2.206 20 30 BEEDRO CCCCCCCC[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000817283482 644970131 /nfs/dbraw/zinc/97/01/31/644970131.db2.gz XVENJMXUTOCECN-CYBMUJFWSA-N 1 0 240.391 2.415 20 30 BEEDRO C#CCOc1ccc([C@@H](C)NC[C@H]([NH3+])CC)cc1 ZINC000817980832 644993719 /nfs/dbraw/zinc/99/37/19/644993719.db2.gz XFKZDHRMKIXRAY-TZMCWYRMSA-N 1 0 246.354 2.087 20 30 BEEDRO C#CCOc1ccc([C@H](C)NC[C@@H]([NH3+])CC)cc1 ZINC000817980830 644995729 /nfs/dbraw/zinc/99/57/29/644995729.db2.gz XFKZDHRMKIXRAY-JSGCOSHPSA-N 1 0 246.354 2.087 20 30 BEEDRO COC(C[N@H+](C)[C@H](C)c1cccc(C#N)c1)OC ZINC000823618532 645047948 /nfs/dbraw/zinc/04/79/48/645047948.db2.gz UEOLMOYRNCEARH-LLVKDONJSA-N 1 0 248.326 2.170 20 30 BEEDRO C=CCOCCC[NH2+]C1CC(C(F)F)C1 ZINC000827236927 645075555 /nfs/dbraw/zinc/07/55/55/645075555.db2.gz HVTMSICHHURBPR-UHFFFAOYSA-N 1 0 219.275 2.212 20 30 BEEDRO CCCCCCCCCN(C)C(=O)C[NH2+]C ZINC000827534116 645081561 /nfs/dbraw/zinc/08/15/61/645081561.db2.gz QDGLMUJGWKTTAF-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](CCCCOC)C1 ZINC000829784318 645111024 /nfs/dbraw/zinc/11/10/24/645111024.db2.gz IOCJXSUKHOGHBQ-CYBMUJFWSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000830311632 645118002 /nfs/dbraw/zinc/11/80/02/645118002.db2.gz SAEVWUBSZZFAGA-UHFFFAOYSA-N 1 0 244.294 2.440 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000830345408 645120795 /nfs/dbraw/zinc/12/07/95/645120795.db2.gz BXPCMNNXDDGLJN-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000830345601 645120930 /nfs/dbraw/zinc/12/09/30/645120930.db2.gz JYZJRLRYYNLHKE-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000926517481 645250374 /nfs/dbraw/zinc/25/03/74/645250374.db2.gz CARMUMCZWYFJPG-JTQLQIEISA-N 1 0 222.336 2.223 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926532538 645256870 /nfs/dbraw/zinc/25/68/70/645256870.db2.gz TYMZUYAUDHAFNG-UHTWSYAYSA-N 1 0 248.326 2.171 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C1(Cl)CC1 ZINC000926528599 645258084 /nfs/dbraw/zinc/25/80/84/645258084.db2.gz ZAXRIKBQKGEXJA-BBBLOLIVSA-N 1 0 215.724 2.079 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000926534794 645261177 /nfs/dbraw/zinc/26/11/77/645261177.db2.gz HGODFPBJHPJYSL-XQQFMLRXSA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926551221 645274837 /nfs/dbraw/zinc/27/48/37/645274837.db2.gz QHZCRFAEMGVORQ-JTQLQIEISA-N 1 0 206.289 2.404 20 30 BEEDRO CCn1ccc(C[NH2+][C@H](C)CC(C)(C)C#N)n1 ZINC000926579092 645289184 /nfs/dbraw/zinc/28/91/84/645289184.db2.gz UQOHLEXNBQKYMS-LLVKDONJSA-N 1 0 234.347 2.321 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000843426682 645291913 /nfs/dbraw/zinc/29/19/13/645291913.db2.gz GIIVXHMCJHHUJC-LBPRGKRZSA-N 1 0 209.358 2.085 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](C)c1ccn(C)n1 ZINC000926574818 645293425 /nfs/dbraw/zinc/29/34/25/645293425.db2.gz COSCVMCOKSVDIQ-QWRGUYRKSA-N 1 0 234.347 2.399 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926611824 645314656 /nfs/dbraw/zinc/31/46/56/645314656.db2.gz RNATVBSHXKAGGC-AVGNSLFASA-N 1 0 236.359 2.495 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)CCC1 ZINC000926623751 645319577 /nfs/dbraw/zinc/31/95/77/645319577.db2.gz FWTFGNORYTVRKZ-MGPQQGTHSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CCC1 ZINC000926623750 645321118 /nfs/dbraw/zinc/32/11/18/645321118.db2.gz FWTFGNORYTVRKZ-MELADBBJSA-N 1 0 248.370 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)CCC1 ZINC000926623122 645321701 /nfs/dbraw/zinc/32/17/01/645321701.db2.gz AURCNSNKXLNLPK-KBPBESRZSA-N 1 0 248.370 2.475 20 30 BEEDRO CC(C)=CC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000844367031 645321915 /nfs/dbraw/zinc/32/19/15/645321915.db2.gz LPSHQMKREIHYES-HNNXBMFYSA-N 1 0 244.338 2.490 20 30 BEEDRO N#CC1(C[NH2+][C@H](C2CC2)C2CCOCC2)CCC1 ZINC000926628107 645323528 /nfs/dbraw/zinc/32/35/28/645323528.db2.gz SIOCFXWTHIWFPX-CQSZACIVSA-N 1 0 248.370 2.475 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](CO)[C@@H](C)CCC ZINC000844380683 645325626 /nfs/dbraw/zinc/32/56/26/645325626.db2.gz WDFKOUADJCMQES-WCBMZHEXSA-N 1 0 205.729 2.126 20 30 BEEDRO C=C[C@@H](C)ON=C(C)C1CC[NH+](C)CC1 ZINC000844620788 645342216 /nfs/dbraw/zinc/34/22/16/645342216.db2.gz PPDMHEZUQNWKKZ-SNVBAGLBSA-N 1 0 210.321 2.295 20 30 BEEDRO C=C[C@H](C)ON=C(C)C1CC[NH+](C)CC1 ZINC000844620787 645343481 /nfs/dbraw/zinc/34/34/81/645343481.db2.gz PPDMHEZUQNWKKZ-JTQLQIEISA-N 1 0 210.321 2.295 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cc(OC)ccn1 ZINC000926682345 645351472 /nfs/dbraw/zinc/35/14/72/645351472.db2.gz BIYWRRMAVYSWAG-JTQLQIEISA-N 1 0 206.289 2.317 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1cc(OC)ccn1 ZINC000926682346 645352222 /nfs/dbraw/zinc/35/22/22/645352222.db2.gz BIYWRRMAVYSWAG-SNVBAGLBSA-N 1 0 206.289 2.317 20 30 BEEDRO C=CCOCCC[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000926704587 645369991 /nfs/dbraw/zinc/36/99/91/645369991.db2.gz NBFPLKYJFORDQX-HSBZDZAISA-N 1 0 239.359 2.126 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCCC1)C(C)(C)CO ZINC000926713454 645370196 /nfs/dbraw/zinc/37/01/96/645370196.db2.gz WBYLJAKVYFRMHP-LBPRGKRZSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000926712366 645376016 /nfs/dbraw/zinc/37/60/16/645376016.db2.gz MDIARCMGHNCWLW-RWMBFGLXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)N(C)OCC ZINC000846062684 645394374 /nfs/dbraw/zinc/39/43/74/645394374.db2.gz JLCSAQUPIDTPQB-LBPRGKRZSA-N 1 0 242.363 2.121 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CC1)C1(Br)CC1 ZINC000926874539 645468443 /nfs/dbraw/zinc/46/84/43/645468443.db2.gz QPSDGSPVINKKDX-QMMMGPOBSA-N 1 0 243.148 2.196 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2[nH]nc3ccccc32)C1 ZINC000848924610 645443217 /nfs/dbraw/zinc/44/32/17/645443217.db2.gz WVVDPRWIUHFYPV-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO CC(C)Oc1ccc(NC(=[NH2+])NCCC#N)cc1 ZINC000849023491 645447408 /nfs/dbraw/zinc/44/74/08/645447408.db2.gz ZRGDHTRYUNPENM-UHFFFAOYSA-N 1 0 246.314 2.324 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@H](C)[C@@H]2C)CC1 ZINC000926840916 645451245 /nfs/dbraw/zinc/45/12/45/645451245.db2.gz VLUNHKUVXBPOHM-ZUWCUPBKSA-N 1 0 221.344 2.191 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C1(Cl)CC1 ZINC000926862152 645460990 /nfs/dbraw/zinc/46/09/90/645460990.db2.gz FNIXKZKCYNNAAP-NXEZZACHSA-N 1 0 217.740 2.063 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CCOC23CCCCC3)CC1 ZINC000926874034 645469040 /nfs/dbraw/zinc/46/90/40/645469040.db2.gz MEXJXWIFXDBBNV-LBPRGKRZSA-N 1 0 234.343 2.372 20 30 BEEDRO C#C[C@H]1CCC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC000852216567 645476585 /nfs/dbraw/zinc/47/65/85/645476585.db2.gz HIGHFIFWHZRHRM-FQUUOJAGSA-N 1 0 203.329 2.378 20 30 BEEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCOCCC#N ZINC000852467327 645485186 /nfs/dbraw/zinc/48/51/86/645485186.db2.gz CCGWWUOJDGMUET-SWLSCSKDSA-N 1 0 244.338 2.235 20 30 BEEDRO Cc1cnc(C[NH2+][C@H]2CC[C@H](C#N)C2)c(C)c1 ZINC000926961065 645501237 /nfs/dbraw/zinc/50/12/37/645501237.db2.gz SVUQXAVMPMUOGK-STQMWFEESA-N 1 0 229.327 2.480 20 30 BEEDRO Cc1cnc(C[NH2+][C@@H]2CC[C@@H](C#N)C2)c(C)c1 ZINC000926961060 645503022 /nfs/dbraw/zinc/50/30/22/645503022.db2.gz SVUQXAVMPMUOGK-CHWSQXEVSA-N 1 0 229.327 2.480 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CCc2nnn(C)c2C1 ZINC000927154583 645577521 /nfs/dbraw/zinc/57/75/21/645577521.db2.gz ZLCNTNJYZPRGPQ-NWDGAFQWSA-N 1 0 248.374 2.007 20 30 BEEDRO C[C@H]1CCC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927164746 645579710 /nfs/dbraw/zinc/57/97/10/645579710.db2.gz MIJWBVYIAAEOKW-AAEUAGOBSA-N 1 0 244.342 2.143 20 30 BEEDRO CC[C@@H]1CC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168365 645580939 /nfs/dbraw/zinc/58/09/39/645580939.db2.gz RXFIJZHNCUYVFR-CHWSQXEVSA-N 1 0 244.342 2.143 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2(SC)CC2)C1 ZINC000862447540 645696788 /nfs/dbraw/zinc/69/67/88/645696788.db2.gz NTELIIFJVHVGLV-NSHDSACASA-N 1 0 209.358 2.227 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnccc2C)C1 ZINC000862446809 645696941 /nfs/dbraw/zinc/69/69/41/645696941.db2.gz FLVWWPPTAFGXPC-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2ccoc2C)C1 ZINC000862446797 645697371 /nfs/dbraw/zinc/69/73/71/645697371.db2.gz FDFYVEFSAVLJQD-GFCCVEGCSA-N 1 0 203.285 2.433 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@H](CC)C2)CC1 ZINC000872139047 645764869 /nfs/dbraw/zinc/76/48/69/645764869.db2.gz DMCJNKJXSYANDG-XDQVBPFNSA-N 1 0 221.344 2.336 20 30 BEEDRO C#CCSCC[NH2+]C[C@H](OC)C1CCCC1 ZINC000877049648 645788463 /nfs/dbraw/zinc/78/84/63/645788463.db2.gz VOBALRWNZSMSFQ-ZDUSSCGKSA-N 1 0 241.400 2.148 20 30 BEEDRO C#CCSCC[NH2+]Cc1nc(Cl)cs1 ZINC000877049398 645788717 /nfs/dbraw/zinc/78/87/17/645788717.db2.gz USHPFVHJJPPBMF-UHFFFAOYSA-N 1 0 246.788 2.253 20 30 BEEDRO C#CCCCCCC[NH2+][C@H](C#C)[C@@H]1CCCO1 ZINC000877417895 645795767 /nfs/dbraw/zinc/79/57/67/645795767.db2.gz UAFYMXYIWJUIKQ-CABCVRRESA-N 1 0 233.355 2.341 20 30 BEEDRO C#CC1CC[NH+](C[C@@H](CCC)OC)CC1 ZINC000877606485 645801094 /nfs/dbraw/zinc/80/10/94/645801094.db2.gz CKHCXFDDZDDXJA-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cccc(F)c2N)C1 ZINC000877650644 645805755 /nfs/dbraw/zinc/80/57/55/645805755.db2.gz SMHXGQSBZJHZCL-LLVKDONJSA-N 1 0 232.302 2.253 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(CCC)nn2)C1 ZINC000877650325 645805824 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ZINC000924984932 646150259 /nfs/dbraw/zinc/15/02/59/646150259.db2.gz YSSVXJIWZITTSN-LLVKDONJSA-N 1 0 242.794 2.386 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925004339 646154057 /nfs/dbraw/zinc/15/40/57/646154057.db2.gz WHEQZKLUTREOAZ-SSDMNJCBSA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCOc1cccnc1 ZINC000925062748 646172245 /nfs/dbraw/zinc/17/22/45/646172245.db2.gz APJSBOAZHBUYDM-GFCCVEGCSA-N 1 0 247.342 2.378 20 30 BEEDRO CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929531733 646176306 /nfs/dbraw/zinc/17/63/06/646176306.db2.gz OQZOOPDKRLSCOJ-DMDPSCGWSA-N 1 0 224.348 2.160 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000925161092 646197388 /nfs/dbraw/zinc/19/73/88/646197388.db2.gz NJMHPVVXVOVYIU-KGLIPLIRSA-N 1 0 220.360 2.006 20 30 BEEDRO C=CC1CC[NH+](CCCCCNC(C)=O)CC1 ZINC000929617901 646200646 /nfs/dbraw/zinc/20/06/46/646200646.db2.gz MTKFFIUFDFDKLW-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1 ZINC000925256932 646222321 /nfs/dbraw/zinc/22/23/21/646222321.db2.gz NQBABPOQAUQGQX-RYUDHWBXSA-N 1 0 242.326 2.492 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000925262103 646223382 /nfs/dbraw/zinc/22/33/82/646223382.db2.gz GCNJKHDHBSDUGL-RWMBFGLXSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000925263488 646225011 /nfs/dbraw/zinc/22/50/11/646225011.db2.gz BJNCZKCQTKXBLU-SCRDCRAPSA-N 1 0 249.402 2.387 20 30 BEEDRO CC(C)(C)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929657218 646225093 /nfs/dbraw/zinc/22/50/93/646225093.db2.gz NGIIRIHKYIVZPK-GFCCVEGCSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000925263489 646226151 /nfs/dbraw/zinc/22/61/51/646226151.db2.gz BJNCZKCQTKXBLU-YRGRVCCFSA-N 1 0 249.402 2.387 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)c1ccnnc1 ZINC000925350294 646251706 /nfs/dbraw/zinc/25/17/06/646251706.db2.gz GAJBXPYHOAUMMI-JTQLQIEISA-N 1 0 223.345 2.046 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000925428702 646278687 /nfs/dbraw/zinc/27/86/87/646278687.db2.gz FCHMKZJKFNJREP-WDEREUQCSA-N 1 0 222.336 2.474 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925430572 646279826 /nfs/dbraw/zinc/27/98/26/646279826.db2.gz MPJMOLRMDSVBFD-ZSVAQUKISA-N 1 0 209.333 2.498 20 30 BEEDRO CC[N@H+](CCCO)Cc1c(C)cc(C#N)cc1C ZINC000929751882 646283591 /nfs/dbraw/zinc/28/35/91/646283591.db2.gz BBZMZSIRSMACSC-UHFFFAOYSA-N 1 0 246.354 2.379 20 30 BEEDRO CC[N@@H+](CCC#N)CCCc1cccnc1 ZINC000929775391 646302103 /nfs/dbraw/zinc/30/21/03/646302103.db2.gz YIPRXQCMXWUXMW-UHFFFAOYSA-N 1 0 217.316 2.250 20 30 BEEDRO C#CC[N@@H+](CC)C[C@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000929788695 646316515 /nfs/dbraw/zinc/31/65/15/646316515.db2.gz SJUZLVVNFLIVEB-ITGUQSILSA-N 1 0 209.333 2.145 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000929786474 646314635 /nfs/dbraw/zinc/31/46/35/646314635.db2.gz FBKYJYLQBKDMOL-HNNXBMFYSA-N 1 0 244.338 2.132 20 30 BEEDRO C#CC[N@@H+](CC)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000929789704 646319089 /nfs/dbraw/zinc/31/90/89/646319089.db2.gz XXOISNWPJQTFFV-QWRGUYRKSA-N 1 0 249.276 2.442 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000925544195 646325432 /nfs/dbraw/zinc/32/54/32/646325432.db2.gz ZKGZBFIRTJDXGS-JQWIXIFHSA-N 1 0 246.358 2.185 20 30 BEEDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)CC#N ZINC000929813290 646332729 /nfs/dbraw/zinc/33/27/29/646332729.db2.gz QKIQLPADAOJWMP-YUELXQCFSA-N 1 0 244.338 2.139 20 30 BEEDRO C=C(Cl)CN[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925568042 646333539 /nfs/dbraw/zinc/33/35/39/646333539.db2.gz HZIQKGJGEJZBSN-PWSUYJOCSA-N 1 0 224.735 2.417 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925567406 646338457 /nfs/dbraw/zinc/33/84/57/646338457.db2.gz DCIGRNTUEHEURH-CHWSQXEVSA-N 1 0 242.794 2.497 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000925617074 646365752 /nfs/dbraw/zinc/36/57/52/646365752.db2.gz UMXBWBTZZJLBMS-SRVKXCTJSA-N 1 0 224.348 2.208 20 30 BEEDRO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000929963171 646379373 /nfs/dbraw/zinc/37/93/73/646379373.db2.gz WZHWTXFVZSXTOQ-AGIUHOORSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)c1cnnn1C ZINC000925707461 646432951 /nfs/dbraw/zinc/43/29/51/646432951.db2.gz PWJWBHQXONPJGV-QWRGUYRKSA-N 1 0 222.336 2.211 20 30 BEEDRO N#CC[C@@H](O)C[NH2+][C@H](c1cccs1)C1CC1 ZINC000930190656 646481971 /nfs/dbraw/zinc/48/19/71/646481971.db2.gz WQPIDTBEFNYTDD-PWSUYJOCSA-N 1 0 236.340 2.063 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000930189735 646484146 /nfs/dbraw/zinc/48/41/46/646484146.db2.gz XZBNGVQCNHVVQA-OLZOCXBDSA-N 1 0 218.300 2.002 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926116214 646575771 /nfs/dbraw/zinc/57/57/71/646575771.db2.gz PWEFIVJXNVGEPQ-ZIAGYGMSSA-N 1 0 241.375 2.110 20 30 BEEDRO C[C@H]([NH2+]CCCC#N)c1cc(O)cc(F)c1 ZINC000926133965 646581825 /nfs/dbraw/zinc/58/18/25/646581825.db2.gz WCWKLBDFLUCRQV-VIFPVBQESA-N 1 0 222.263 2.486 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cccc2c1OCO2 ZINC000926152359 646583416 /nfs/dbraw/zinc/58/34/16/646583416.db2.gz HFGLJOINVSQQRW-GHMZBOCLSA-N 1 0 249.310 2.003 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cnn(C2CCC2)c1 ZINC000926152505 646584076 /nfs/dbraw/zinc/58/40/76/646584076.db2.gz IINNEVDJUSHSAH-YPMHNXCESA-N 1 0 249.358 2.196 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C1CC2(C1)CCCC2 ZINC000926152184 646584434 /nfs/dbraw/zinc/58/44/34/646584434.db2.gz FMTQBUGKJXVDRH-LLVKDONJSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc(O)cc(F)c1 ZINC000926155666 646585565 /nfs/dbraw/zinc/58/55/65/646585565.db2.gz YMURCMNFTISNJW-SKDRFNHKSA-N 1 0 239.290 2.119 20 30 BEEDRO C=CCCCC[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926200461 646594115 /nfs/dbraw/zinc/59/41/15/646594115.db2.gz TYKIPQWCQAPYEU-QWRGUYRKSA-N 1 0 220.320 2.230 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@H]1CCCO1 ZINC000926212795 646595891 /nfs/dbraw/zinc/59/58/91/646595891.db2.gz ZTBBRMYBCWGAJI-RWMBFGLXSA-N 1 0 234.343 2.085 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)nc1 ZINC000926228878 646599994 /nfs/dbraw/zinc/59/99/94/646599994.db2.gz QNEBBDHCGGBCIA-LNSITVRQSA-N 1 0 239.322 2.398 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926253730 646600051 /nfs/dbraw/zinc/60/00/51/646600051.db2.gz VGCUADBLAFJWFL-DCAQKATOSA-N 1 0 212.337 2.328 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000926230016 646600214 /nfs/dbraw/zinc/60/02/14/646600214.db2.gz XTAHGGSSTCLJPK-FRRDWIJNSA-N 1 0 238.375 2.455 20 30 BEEDRO C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000926318093 646615435 /nfs/dbraw/zinc/61/54/35/646615435.db2.gz TYBAFDRZWMUZOG-WKPIXPDZSA-N 1 0 242.322 2.170 20 30 BEEDRO C[C@H]1CC2(CC([NH2+]CC3(CC#N)CC3)C2)CO1 ZINC000926342686 646621160 /nfs/dbraw/zinc/62/11/60/646621160.db2.gz BESCGOAQTXYGML-DCBWTQNWSA-N 1 0 234.343 2.227 20 30 BEEDRO COc1ccnc([C@H](C)[NH2+]CC2(CC#N)CC2)c1 ZINC000926345777 646622045 /nfs/dbraw/zinc/62/20/45/646622045.db2.gz RAZGUKSCGYAGOP-NSHDSACASA-N 1 0 245.326 2.435 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]CC1CCC(C#N)CC1 ZINC000926355237 646624750 /nfs/dbraw/zinc/62/47/50/646624750.db2.gz DSCABHJOLFWIPS-NWINJMCUSA-N 1 0 236.359 2.331 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]CC2CCC(C#N)CC2)[C@@H]1C ZINC000926357160 646625166 /nfs/dbraw/zinc/62/51/66/646625166.db2.gz UBJQOZORAGLWOJ-CJQNXBEJSA-N 1 0 236.359 2.329 20 30 BEEDRO Cc1nonc1[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000926355440 646625323 /nfs/dbraw/zinc/62/53/23/646625323.db2.gz HLOCXOXHIQHXQT-OIKLOGQESA-N 1 0 248.330 2.359 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)c2ncnn21 ZINC000926426589 646637124 /nfs/dbraw/zinc/63/71/24/646637124.db2.gz JSAGATCSMYYNDZ-WDEREUQCSA-N 1 0 247.346 2.203 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H](C)c1cnnn1C ZINC000926483279 646656822 /nfs/dbraw/zinc/65/68/22/646656822.db2.gz SUFMSEWNOOWMSE-JTQLQIEISA-N 1 0 222.336 2.068 20 30 BEEDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)C#N)[C@H](O)C(F)F ZINC000926512565 646668581 /nfs/dbraw/zinc/66/85/81/646668581.db2.gz MKQOCODQPQDQGS-GUBZILKMSA-N 1 0 248.317 2.309 20 30 BEEDRO CC(C)(C#N)C[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723965351 711548061 /nfs/dbraw/zinc/54/80/61/711548061.db2.gz PEKUTNCSABVEMI-CHWSQXEVSA-N 1 0 236.359 2.331 20 30 BEEDRO N#Cc1csc(C[NH2+]CCC2CC=CC2)n1 ZINC000724202159 711569808 /nfs/dbraw/zinc/56/98/08/711569808.db2.gz KGHINACLUNGRSV-UHFFFAOYSA-N 1 0 233.340 2.461 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](CCO)C1CCCC1 ZINC000725076479 711649342 /nfs/dbraw/zinc/64/93/42/711649342.db2.gz DIKYZUAGEPYZBD-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO N#CCC1(C[NH2+][C@H](CCO)C2CCCC2)CC1 ZINC000725116211 711652194 /nfs/dbraw/zinc/65/21/94/711652194.db2.gz RLXRUYBPDVILCX-CYBMUJFWSA-N 1 0 236.359 2.211 20 30 BEEDRO C#CCCC[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000725634360 711667414 /nfs/dbraw/zinc/66/74/14/711667414.db2.gz QMVTUCFJHPLRJY-NEPJUHHUSA-N 1 0 209.358 2.085 20 30 BEEDRO C=C(Br)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000382240679 711669702 /nfs/dbraw/zinc/66/97/02/711669702.db2.gz GHRSGIWCBFPZNF-VHSXEESVSA-N 1 0 248.164 2.442 20 30 BEEDRO CCCCCCCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000385237024 711683541 /nfs/dbraw/zinc/68/35/41/711683541.db2.gz KTFFHCPSZDJLNF-NWDGAFQWSA-N 1 0 226.364 2.295 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721262069 711803933 /nfs/dbraw/zinc/80/39/33/711803933.db2.gz OCIJFLAIHRQIRC-UPJWGTAASA-N 1 0 209.333 2.336 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC1CCC1 ZINC000913719274 711850949 /nfs/dbraw/zinc/85/09/49/711850949.db2.gz SKHBKUHNIHOICI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1CC(O)C1 ZINC000702450404 712053769 /nfs/dbraw/zinc/05/37/69/712053769.db2.gz PVCNCFNKXSHNLY-UNXYVOJBSA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCCNC(=O)CC[C@@H](C)[NH3+] ZINC000703751294 712084805 /nfs/dbraw/zinc/08/48/05/712084805.db2.gz AMSTZGAKFDYJSG-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)CCCCC[NH3+])C1 ZINC000705926562 712138453 /nfs/dbraw/zinc/13/84/53/712138453.db2.gz MMBOOLMIDKQNEV-ZDUSSCGKSA-N 1 0 238.375 2.320 20 30 BEEDRO CCCCCCCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000705912957 712138745 /nfs/dbraw/zinc/13/87/45/712138745.db2.gz PUIVSVBPCDYYPL-NEPJUHHUSA-N 1 0 228.380 2.446 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000708822045 712199967 /nfs/dbraw/zinc/19/99/67/712199967.db2.gz JCYJPHFWVITHQZ-XQQFMLRXSA-N 1 0 223.360 2.175 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2ccns2)c1 ZINC000709824875 712228756 /nfs/dbraw/zinc/22/87/56/712228756.db2.gz JMVVUAUZBGJBJJ-UHFFFAOYSA-N 1 0 249.364 2.409 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCC1(OC)OC ZINC000710954569 712267863 /nfs/dbraw/zinc/26/78/63/712267863.db2.gz APYVREZGQBXQTL-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO COC1(OC)CC[C@@H]1[NH2+]CC(C)(C)CCC#N ZINC000710988353 712272133 /nfs/dbraw/zinc/27/21/33/712272133.db2.gz LIIYJZFSCOYYDZ-NSHDSACASA-N 1 0 240.347 2.057 20 30 BEEDRO C=C(C)CN(C)Cn1ccc(Br)n1 ZINC000379391585 712381404 /nfs/dbraw/zinc/38/14/04/712381404.db2.gz PXWGTYABMWTYKG-UHFFFAOYSA-N 1 0 244.136 2.111 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCc2ccsc2C1 ZINC000712298268 712394955 /nfs/dbraw/zinc/39/49/55/712394955.db2.gz JNICVSLXRSHIPJ-SNVBAGLBSA-N 1 0 236.340 2.035 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1CCCC1(C)C ZINC000379797074 712403372 /nfs/dbraw/zinc/40/33/72/712403372.db2.gz IUEWZMRPFDHJDY-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(O)(C(F)(F)F)CC1 ZINC000715030772 712504745 /nfs/dbraw/zinc/50/47/45/712504745.db2.gz YDYWZXQUNZMBGV-VIFPVBQESA-N 1 0 237.265 2.340 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715092249 712507878 /nfs/dbraw/zinc/50/78/78/712507878.db2.gz QSABSMYIPLEWII-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO CCC[C@@H](CCO)[NH2+]CC#Cc1ccccc1 ZINC000716853802 712578703 /nfs/dbraw/zinc/57/87/03/712578703.db2.gz QVHOVJQFWPQECX-HNNXBMFYSA-N 1 0 231.339 2.179 20 30 BEEDRO CCC[C@H](CCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000716883881 712580200 /nfs/dbraw/zinc/58/02/00/712580200.db2.gz GKNHVZODGSYEGT-NWDGAFQWSA-N 1 0 226.364 2.455 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(F)c(C)c1 ZINC000716936233 712597773 /nfs/dbraw/zinc/59/77/73/712597773.db2.gz SAFIGWNPZXVNBE-CYBMUJFWSA-N 1 0 235.302 2.262 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)ccc1F ZINC000716939165 712598036 /nfs/dbraw/zinc/59/80/36/712598036.db2.gz ZRNHOOWDWSUGDS-ZDUSSCGKSA-N 1 0 235.302 2.262 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000379855712 712617160 /nfs/dbraw/zinc/61/71/60/712617160.db2.gz BYNIFZLKORBYBN-SFYZADRCSA-N 1 0 243.656 2.438 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(C)OCCCO1 ZINC000379875974 712619974 /nfs/dbraw/zinc/61/99/74/712619974.db2.gz AEQSJYFRUWGMNO-LLVKDONJSA-N 1 0 213.321 2.084 20 30 BEEDRO C#CCCCCCC[NH2+]CCC[C@H](C)O ZINC000877485047 712631141 /nfs/dbraw/zinc/63/11/41/712631141.db2.gz WKUPZCVPGLSFEU-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2=CCCC2)CC1 ZINC000717434428 712657670 /nfs/dbraw/zinc/65/76/70/712657670.db2.gz FRDRQTOJYQLQFR-UHFFFAOYSA-N 1 0 221.344 2.500 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H]1CCCC12CCCCC2 ZINC000717698643 712665327 /nfs/dbraw/zinc/66/53/27/712665327.db2.gz JABCBXQNIRUWMD-KBPBESRZSA-N 1 0 235.371 2.463 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1Cl ZINC000717709166 712664376 /nfs/dbraw/zinc/66/43/76/712664376.db2.gz GYAFTHLJRQAUGX-LBPRGKRZSA-N 1 0 237.730 2.122 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H]1CCCC[C@H]1CC ZINC000717709567 712666164 /nfs/dbraw/zinc/66/61/64/712666164.db2.gz IGRSYUOFBQPLJC-HZSPNIEDSA-N 1 0 223.360 2.177 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(C)co1 ZINC000718117550 712744401 /nfs/dbraw/zinc/74/44/01/712744401.db2.gz WMABSDJPJLCELB-NSHDSACASA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)co1 ZINC000718117549 712744425 /nfs/dbraw/zinc/74/44/25/712744425.db2.gz WMABSDJPJLCELB-LLVKDONJSA-N 1 0 209.289 2.005 20 30 BEEDRO CC(C)(C#N)CC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719711923 712823025 /nfs/dbraw/zinc/82/30/25/712823025.db2.gz UTDWXUSFOYEDKK-GFCCVEGCSA-N 1 0 238.375 2.409 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000721166141 712893469 /nfs/dbraw/zinc/89/34/69/712893469.db2.gz IOPQTLUQTMUAKB-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C#N)cc1 ZINC000384123533 710616829 /nfs/dbraw/zinc/61/68/29/710616829.db2.gz ALWWPZTVHMATFE-CQSZACIVSA-N 1 0 212.296 2.450 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(C(C)C)C1)[C@H]1CCCO1 ZINC000381454471 710638660 /nfs/dbraw/zinc/63/86/60/710638660.db2.gz HWWGCVHBDYMDSV-NWINJMCUSA-N 1 0 221.344 2.191 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721208536 712898632 /nfs/dbraw/zinc/89/86/32/712898632.db2.gz SIYGQQSHBVXSKP-OLZOCXBDSA-N 1 0 241.400 2.290 20 30 BEEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC23CCC3)cc1 ZINC000721210710 712898667 /nfs/dbraw/zinc/89/86/67/712898667.db2.gz WDMJPCORPXUPHP-UONOGXRCSA-N 1 0 242.322 2.124 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CCC12CCC2 ZINC000381638434 710665196 /nfs/dbraw/zinc/66/51/96/710665196.db2.gz HJFKGDFGGLLJIC-NSHDSACASA-N 1 0 209.358 2.275 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1=CCCC1 ZINC001038171150 710677073 /nfs/dbraw/zinc/67/70/73/710677073.db2.gz UMHGLSSNBBWEAW-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H](C)CC(N)=O ZINC000393781040 710682043 /nfs/dbraw/zinc/68/20/43/710682043.db2.gz OXNHSXRASNBTFP-NEPJUHHUSA-N 1 0 226.364 2.365 20 30 BEEDRO CC(C)(C)[C@H]1C[C@H]([NH2+]CCCC#N)CCO1 ZINC000721847534 710686545 /nfs/dbraw/zinc/68/65/45/710686545.db2.gz ORVQAAJQCDOPTN-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000393790691 710719422 /nfs/dbraw/zinc/71/94/22/710719422.db2.gz ISTFGZSSYRGJEJ-QWRGUYRKSA-N 1 0 210.321 2.035 20 30 BEEDRO N#CCC[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000381812813 710721076 /nfs/dbraw/zinc/72/10/76/710721076.db2.gz ICBZXEVMGJWJIP-NSHDSACASA-N 1 0 216.284 2.056 20 30 BEEDRO C=C(CC)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725065729 710754298 /nfs/dbraw/zinc/75/42/98/710754298.db2.gz VMOGXVVCULGYLJ-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CC[N@H+]1CC[C@H]2CCN(C(=O)C=C(C)C)C[C@H]21 ZINC001041903878 710771849 /nfs/dbraw/zinc/77/18/49/710771849.db2.gz LOOGODGPEBUTMK-UONOGXRCSA-N 1 0 248.370 2.061 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC2CCC1CC2 ZINC000382126871 710798021 /nfs/dbraw/zinc/79/80/21/710798021.db2.gz NWDPFLMLMKSSPM-NRXISQOPSA-N 1 0 234.387 2.110 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1cccc(C)n1 ZINC000384178116 710805909 /nfs/dbraw/zinc/80/59/09/710805909.db2.gz OZZLGCKGIHKJGV-ZDUSSCGKSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1scnc1C ZINC000384183756 710806983 /nfs/dbraw/zinc/80/69/83/710806983.db2.gz RHSJSUUBPJSUOC-NSHDSACASA-N 1 0 208.330 2.343 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cccnc1C ZINC000384195196 710813334 /nfs/dbraw/zinc/81/33/34/710813334.db2.gz XRWVKWUKDBBQRE-CYBMUJFWSA-N 1 0 202.301 2.282 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC1(COC)CCC1 ZINC000384197024 710820886 /nfs/dbraw/zinc/82/08/86/710820886.db2.gz YOOFRSDCXFXEGC-LBPRGKRZSA-N 1 0 209.333 2.195 20 30 BEEDRO C=C(C)CC[NH+]1CC(N(C)C(=O)C(C)(C)C)C1 ZINC001044217074 710821162 /nfs/dbraw/zinc/82/11/62/710821162.db2.gz FFZKKVQTFMQUIU-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC1(O)CCCCC1 ZINC000384198417 710823463 /nfs/dbraw/zinc/82/34/63/710823463.db2.gz ZFMNLKNPJCJFCI-LBPRGKRZSA-N 1 0 209.333 2.073 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccoc2)[C@@H](C)C1 ZINC001044458496 710827192 /nfs/dbraw/zinc/82/71/92/710827192.db2.gz OFFHHWXJKUCOPN-WCQYABFASA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)[C@H](C)C1 ZINC001044433163 710827422 /nfs/dbraw/zinc/82/74/22/710827422.db2.gz RKEJINIVKMZSGW-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)[C@H](C)C1 ZINC001044513673 710828578 /nfs/dbraw/zinc/82/85/78/710828578.db2.gz LTSKUXJCXSTEOV-TZMCWYRMSA-N 1 0 248.370 2.108 20 30 BEEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCO[C@H](C)C#N ZINC000384274817 710850670 /nfs/dbraw/zinc/85/06/70/710850670.db2.gz BVNDCCPGJUMYHP-IJLUTSLNSA-N 1 0 210.321 2.035 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000903108974 710892755 /nfs/dbraw/zinc/89/27/55/710892755.db2.gz JKHQBUYUYALZGI-OLZOCXBDSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC ZINC001049266899 710897381 /nfs/dbraw/zinc/89/73/81/710897381.db2.gz WSTUCCRRBYVRBA-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO COCCC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000903109333 710892406 /nfs/dbraw/zinc/89/24/06/710892406.db2.gz NXPYPTVXKUWUHO-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CCC1 ZINC001049272490 710898866 /nfs/dbraw/zinc/89/88/66/710898866.db2.gz NTKSVONLJYCKDH-UONOGXRCSA-N 1 0 248.370 2.038 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC1 ZINC001049270785 710899283 /nfs/dbraw/zinc/89/92/83/710899283.db2.gz FBQAANADRKOGMC-UONOGXRCSA-N 1 0 248.370 2.038 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)C(C)(C)CC)C[C@@H]1C ZINC001055026839 710944516 /nfs/dbraw/zinc/94/45/16/710944516.db2.gz QMOFAZNGPSSENC-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@@H+](C/C=C\C(=O)OCC)C(C)(C)C ZINC000382526261 710972933 /nfs/dbraw/zinc/97/29/33/710972933.db2.gz GOWNUIUWSVETPP-HJWRWDBZSA-N 1 0 225.332 2.392 20 30 BEEDRO C=C(C)C[N@H+](CC)C/C=C(\C)C(=O)OC ZINC000382538587 710973846 /nfs/dbraw/zinc/97/38/46/710973846.db2.gz RRUOYMDCNLLAAE-YRNVUSSQSA-N 1 0 211.305 2.004 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000383060834 710975917 /nfs/dbraw/zinc/97/59/17/710975917.db2.gz NHYYMYZXEVFUFT-QLFBSQMISA-N 1 0 236.403 2.356 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000384119883 710988704 /nfs/dbraw/zinc/98/87/04/710988704.db2.gz GQPIJQBPVVLPCK-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(CO)cc1 ZINC000384139215 710989956 /nfs/dbraw/zinc/98/99/56/710989956.db2.gz CVMMUDGAVFVSCL-CQSZACIVSA-N 1 0 217.312 2.070 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(CO)cc1 ZINC000384139214 710990036 /nfs/dbraw/zinc/99/00/36/710990036.db2.gz CVMMUDGAVFVSCL-AWEZNQCLSA-N 1 0 217.312 2.070 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000384163329 710990294 /nfs/dbraw/zinc/99/02/94/710990294.db2.gz KPKLMQANFSJVOA-OAHLLOKOSA-N 1 0 245.322 2.365 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1ccc(C)cc1 ZINC000384138892 710990754 /nfs/dbraw/zinc/99/07/54/710990754.db2.gz FHAOGXSGBNQPIT-HNNXBMFYSA-N 1 0 244.338 2.325 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H](SC)C1 ZINC000385432607 711012382 /nfs/dbraw/zinc/01/23/82/711012382.db2.gz NUXGGPKKJTVIRC-VXGBXAGGSA-N 1 0 229.389 2.453 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000387333482 711042754 /nfs/dbraw/zinc/04/27/54/711042754.db2.gz DKCZQVHSSWQPDY-CQSZACIVSA-N 1 0 230.311 2.147 20 30 BEEDRO C#CCSCC[NH2+][C@H]1CC[C@H]1C(C)C ZINC000389230023 711073357 /nfs/dbraw/zinc/07/33/57/711073357.db2.gz SUEXZSJBDOMBMG-RYUDHWBXSA-N 1 0 211.374 2.377 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)Cc1ccsc1 ZINC000389415726 711078898 /nfs/dbraw/zinc/07/88/98/711078898.db2.gz UPTMMCFCMLMHJX-SNVBAGLBSA-N 1 0 224.329 2.109 20 30 BEEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000389704965 711087126 /nfs/dbraw/zinc/08/71/26/711087126.db2.gz KRKKEDBDPQBNTL-UTUOFQBUSA-N 1 0 205.305 2.208 20 30 BEEDRO C#C[C@@H]([NH2+]CCCCCC)[C@H]1CCCO1 ZINC000389915202 711097061 /nfs/dbraw/zinc/09/70/61/711097061.db2.gz KWUHTDPHGICEKN-CHWSQXEVSA-N 1 0 209.333 2.337 20 30 BEEDRO C#CCCC[NH2+][C@@H](COC)C1CCCC1 ZINC000389943289 711099980 /nfs/dbraw/zinc/09/99/80/711099980.db2.gz PKBNUWOZUJFMDC-ZDUSSCGKSA-N 1 0 209.333 2.195 20 30 BEEDRO C#CCCC[NH2+][C@@](C)(CO)C1CCCCC1 ZINC000390422916 711116270 /nfs/dbraw/zinc/11/62/70/711116270.db2.gz KWIHGXZDKNCBGX-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C#CCC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000390820350 711135703 /nfs/dbraw/zinc/13/57/03/711135703.db2.gz VYARLLHBPRIXBJ-LBPRGKRZSA-N 1 0 219.332 2.101 20 30 BEEDRO C=C(C)CC[NH2+]Cc1nnc(CC)s1 ZINC000391909338 711141622 /nfs/dbraw/zinc/14/16/22/711141622.db2.gz JUYIAQBVJXBFEP-UHFFFAOYSA-N 1 0 211.334 2.156 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000392769422 711152081 /nfs/dbraw/zinc/15/20/81/711152081.db2.gz BFWALJYUGOPHOY-CVEARBPZSA-N 1 0 248.414 2.500 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC[C@@H]1CC ZINC000392779803 711152670 /nfs/dbraw/zinc/15/26/70/711152670.db2.gz YQOJBJXDEGTKHN-GJZGRUSLSA-N 1 0 236.403 2.500 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)C1CCCCC1 ZINC000392881938 711152968 /nfs/dbraw/zinc/15/29/68/711152968.db2.gz SHEHIUWEASQDJQ-CQSZACIVSA-N 1 0 236.403 2.500 20 30 BEEDRO C=C(Br)C[NH2+]CC1(OC)CCCC1 ZINC000393717040 711171085 /nfs/dbraw/zinc/17/10/85/711171085.db2.gz YINLXMQWVHOMLR-UHFFFAOYSA-N 1 0 248.164 2.444 20 30 BEEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCO[C@H](C)C#N ZINC000393756747 711172939 /nfs/dbraw/zinc/17/29/39/711172939.db2.gz BNVZFATYQREQJS-QJPTWQEYSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C1CCN(OCC)CC1 ZINC000393817250 711175989 /nfs/dbraw/zinc/17/59/89/711175989.db2.gz YSLQXHUTVGZWGG-LBPRGKRZSA-N 1 0 226.364 2.347 20 30 BEEDRO C=C(Cl)CN1C[C@@H](NC(=O)CC)CC[C@H]1C ZINC001071278745 711183513 /nfs/dbraw/zinc/18/35/13/711183513.db2.gz IPNJQGBVRZGONC-MNOVXSKESA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000394425437 711191208 /nfs/dbraw/zinc/19/12/08/711191208.db2.gz BNBUPIRQVQCHSW-PSASIEDQSA-N 1 0 205.729 2.390 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)C=C2CCC2)CC[C@@H]1C ZINC001071419891 711191829 /nfs/dbraw/zinc/19/18/29/711191829.db2.gz GJGSCMFAOGUUAU-GXTWGEPZSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCN(C)CCC[NH2+]C[C@@H]1CCCC[C@H]1C ZINC000394782641 711197718 /nfs/dbraw/zinc/19/77/18/711197718.db2.gz HNBOJBVLNMQUHF-CABCVRRESA-N 1 0 236.403 2.357 20 30 BEEDRO CC(C)(CO)CC[NH2+]CC#Cc1ccccc1 ZINC000395089224 711201449 /nfs/dbraw/zinc/20/14/49/711201449.db2.gz FIGLKGRCOJCVKS-UHFFFAOYSA-N 1 0 231.339 2.036 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000395166634 711203357 /nfs/dbraw/zinc/20/33/57/711203357.db2.gz XCTNUIMPMBCGAL-AAEUAGOBSA-N 1 0 209.333 2.336 20 30 BEEDRO CCNC(NCC(C(C)C)C(C)C)=[NH+]CC ZINC000395582725 711212872 /nfs/dbraw/zinc/21/28/72/711212872.db2.gz VBWPAJQGYWSMGF-UHFFFAOYSA-N 1 0 227.396 2.490 20 30 BEEDRO C#CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000396328403 711219398 /nfs/dbraw/zinc/21/93/98/711219398.db2.gz WJPBFBQYYSRWKE-UHFFFAOYSA-N 1 0 249.276 2.225 20 30 BEEDRO C=CCCC[C@H](C)[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000398092612 711401262 /nfs/dbraw/zinc/40/12/62/711401262.db2.gz YQIBTNWWTZEXAB-RWMBFGLXSA-N 1 0 238.375 2.378 20 30 BEEDRO CC[C@H](O)CCC[NH2+]CC#Cc1ccccc1 ZINC000398562086 711412423 /nfs/dbraw/zinc/41/24/23/711412423.db2.gz RQKLUARAKGQXOH-HNNXBMFYSA-N 1 0 231.339 2.179 20 30 BEEDRO CCCCCCCC[N@@H+]1CCOC[C@H](O)C1 ZINC000399916157 711436175 /nfs/dbraw/zinc/43/61/75/711436175.db2.gz OMFJDOLMYALBTJ-CYBMUJFWSA-N 1 0 229.364 2.040 20 30 BEEDRO C#C[C@H](C)[NH2+]CCCCOc1ccccc1 ZINC000381334897 710623732 /nfs/dbraw/zinc/62/37/32/710623732.db2.gz VJZNLODXQIRKKO-ZDUSSCGKSA-N 1 0 217.312 2.457 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1ccccc1C ZINC000384208971 710833964 /nfs/dbraw/zinc/83/39/64/710833964.db2.gz OEIREDGWTHVHAK-OAHLLOKOSA-N 1 0 244.338 2.325 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000384224844 710835245 /nfs/dbraw/zinc/83/52/45/710835245.db2.gz UTNRZZXIRASSCA-UONOGXRCSA-N 1 0 235.302 2.251 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000903108784 710892084 /nfs/dbraw/zinc/89/20/84/710892084.db2.gz GYFVVCLCXIDEMN-ZSBIGDGJSA-N 1 0 204.317 2.458 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC ZINC001049266897 710897289 /nfs/dbraw/zinc/89/72/89/710897289.db2.gz WSTUCCRRBYVRBA-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[N@@H+]1Cc2ccc(CNC(C)=O)cc2C1 ZINC001054251155 710924031 /nfs/dbraw/zinc/92/40/31/710924031.db2.gz UZJIFOATXOSXBR-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2ccco2)CC[C@H]1C ZINC001071313415 711188228 /nfs/dbraw/zinc/18/82/28/711188228.db2.gz ZIEKLONBUNTURF-NEPJUHHUSA-N 1 0 248.326 2.048 20 30 BEEDRO C=CC[N@H+]1C[C@H](NC(=O)c2ccoc2)CC[C@@H]1C ZINC001071347692 711188567 /nfs/dbraw/zinc/18/85/67/711188567.db2.gz PEAYOJXXRMQTKL-WCQYABFASA-N 1 0 248.326 2.048 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396690185 711365227 /nfs/dbraw/zinc/36/52/27/711365227.db2.gz PAERPVJIQRLZFK-LBPRGKRZSA-N 1 0 226.364 2.215 20 30 BEEDRO CC(C)C[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000396919963 711372973 /nfs/dbraw/zinc/37/29/73/711372973.db2.gz QIDAKQATYWTAJT-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO C=CCC[N@H+]1CCC2(CN(C(=O)/C(C)=C\C)C2)C1 ZINC001072600827 711384266 /nfs/dbraw/zinc/38/42/66/711384266.db2.gz HHKGCODTXPZEQK-ACAGNQJTSA-N 1 0 248.370 2.063 20 30 BEEDRO C#C[C@H]([NH2+]Cc1oc(C)nc1C)C(C)(C)C ZINC000723601666 711523984 /nfs/dbraw/zinc/52/39/84/711523984.db2.gz FCIHMSLOVMSKDY-LBPRGKRZSA-N 1 0 220.316 2.429 20 30 BEEDRO N#CCC1(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)CC1 ZINC000723610526 711525865 /nfs/dbraw/zinc/52/58/65/711525865.db2.gz JDEBDWWJEVMUOH-MELADBBJSA-N 1 0 248.370 2.475 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1 ZINC000723628397 711527200 /nfs/dbraw/zinc/52/72/00/711527200.db2.gz JGKHYBVQJRPBAD-REWJHTLYSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723628394 711527504 /nfs/dbraw/zinc/52/75/04/711527504.db2.gz JGKHYBVQJRPBAD-AAVRWANBSA-N 1 0 221.344 2.193 20 30 BEEDRO C=CCC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000724026244 711556931 /nfs/dbraw/zinc/55/69/31/711556931.db2.gz XRAALJLUDJHPIZ-ZETCQYMHSA-N 1 0 247.207 2.101 20 30 BEEDRO N#CCCCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000723967552 711548296 /nfs/dbraw/zinc/54/82/96/711548296.db2.gz CIBDUNKAVBODBZ-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000723976216 711550114 /nfs/dbraw/zinc/55/01/14/711550114.db2.gz QCWBTDFNRHLYAY-QWHCGFSZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000723976217 711550143 /nfs/dbraw/zinc/55/01/43/711550143.db2.gz QCWBTDFNRHLYAY-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCOC1 ZINC000723978318 711550363 /nfs/dbraw/zinc/55/03/63/711550363.db2.gz OLSUJZCLBGZDCS-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)C#N)[C@H]1CCCOC1 ZINC000723978166 711550489 /nfs/dbraw/zinc/55/04/89/711550489.db2.gz OLSUJZCLBGZDCS-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)CC1 ZINC000723991571 711551636 /nfs/dbraw/zinc/55/16/36/711551636.db2.gz DJNSRUNNTPLTOX-STQMWFEESA-N 1 0 234.343 2.085 20 30 BEEDRO CC[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CCCOC1 ZINC000724009825 711555161 /nfs/dbraw/zinc/55/51/61/711555161.db2.gz AAHLANFJXHHVCG-RISCZKNCSA-N 1 0 248.326 2.446 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000724459397 711581288 /nfs/dbraw/zinc/58/12/88/711581288.db2.gz OMDXJWYYZAPILT-CQSZACIVSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C1CCC(C[NH2+]Cc2cc[nH]n2)CC1 ZINC000724454216 711581394 /nfs/dbraw/zinc/58/13/94/711581394.db2.gz IAFOYLASMMUDST-UHFFFAOYSA-N 1 0 205.305 2.246 20 30 BEEDRO C=CC[C@@H]1CCN1[C@H](C)C(=O)OC(C)(C)C ZINC000934469443 711587458 /nfs/dbraw/zinc/58/74/58/711587458.db2.gz UMUQJSUKXDAUMG-GHMZBOCLSA-N 1 0 225.332 2.367 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1csc(C)c1 ZINC000716930016 711587527 /nfs/dbraw/zinc/58/75/27/711587527.db2.gz WNVVHPADDUVAHQ-GFCCVEGCSA-N 1 0 223.341 2.184 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H](C)c2cn(C)nn2)CC1 ZINC000724590532 711595880 /nfs/dbraw/zinc/59/58/80/711595880.db2.gz WXKDKRVSFKZSSW-NSHDSACASA-N 1 0 234.347 2.212 20 30 BEEDRO C[N@H+](CCOC(C)(C)C)Cc1cncc(C#N)c1 ZINC000721557580 711624678 /nfs/dbraw/zinc/62/46/78/711624678.db2.gz CCSMIVPVVNVFCS-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CCC[C@@H](C)C1 ZINC000717813023 711624758 /nfs/dbraw/zinc/62/47/58/711624758.db2.gz GBSMDDNXRNDKPC-MGPQQGTHSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](CC)CC1 ZINC000717840478 711627620 /nfs/dbraw/zinc/62/76/20/711627620.db2.gz GYXXJBALAOZDDW-HZSPNIEDSA-N 1 0 223.360 2.319 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)[C@@H]1C ZINC000721597263 711656666 /nfs/dbraw/zinc/65/66/66/711656666.db2.gz JZNMFQSRVNZIHT-GHMZBOCLSA-N 1 0 215.300 2.184 20 30 BEEDRO C#CCSCC[NH2+]C[C@@]1(C)CCCS1 ZINC000382320576 711665937 /nfs/dbraw/zinc/66/59/37/711665937.db2.gz TVPCNYWRYAUFRK-LLVKDONJSA-N 1 0 229.414 2.228 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1Cc1cncc(C#N)c1 ZINC000721615593 711671091 /nfs/dbraw/zinc/67/10/91/711671091.db2.gz SBUBYPIDBYVRAM-ZDUSSCGKSA-N 1 0 215.300 2.328 20 30 BEEDRO CCOC[C@@H]([NH2+]Cc1cncc(C#N)c1)C(C)C ZINC000721615805 711671112 /nfs/dbraw/zinc/67/11/12/711671112.db2.gz UBZKCVWVMIOWFI-CQSZACIVSA-N 1 0 247.342 2.104 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000178061838 711674373 /nfs/dbraw/zinc/67/43/73/711674373.db2.gz BIMRZARSYGKTHD-LLVKDONJSA-N 1 0 231.295 2.479 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccc(F)c1 ZINC000395195001 711693097 /nfs/dbraw/zinc/69/30/97/711693097.db2.gz CBFWHHKSPRCZSD-CQSZACIVSA-N 1 0 248.301 2.156 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCC1CC1)[C@@H]1CCCO1 ZINC000309761724 711700787 /nfs/dbraw/zinc/70/07/87/711700787.db2.gz MSNSQQYBQPCJOG-XBFCOCLRSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC(C)C)C1 ZINC001027276552 711724074 /nfs/dbraw/zinc/72/40/74/711724074.db2.gz KVRVYLGBPOCMOV-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000722330406 711738274 /nfs/dbraw/zinc/73/82/74/711738274.db2.gz JEOFZRFRARXLKJ-JHJVBQTASA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1C[C@]1(C)Br ZINC000893606128 711745356 /nfs/dbraw/zinc/74/53/56/711745356.db2.gz NASMSVCDHRUYNK-BBBLOLIVSA-N 1 0 245.164 2.442 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000893607089 711745577 /nfs/dbraw/zinc/74/55/77/711745577.db2.gz UOLVTURRBSSIIK-OKZRHMCRSA-N 1 0 222.332 2.226 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]C[C@H]1C[C@H]1C ZINC000133180188 711775965 /nfs/dbraw/zinc/77/59/65/711775965.db2.gz LENHHTXSXRWLJD-TZMCWYRMSA-N 1 0 229.323 2.444 20 30 BEEDRO OC[C@H](C[NH2+]CC#Cc1ccccc1)CC1CC1 ZINC000895396267 711780910 /nfs/dbraw/zinc/78/09/10/711780910.db2.gz HUILVMRREYHHOT-INIZCTEOSA-N 1 0 243.350 2.036 20 30 BEEDRO OC[C@@H](C[NH2+]CC#Cc1ccccc1)CC1CC1 ZINC000895396268 711780911 /nfs/dbraw/zinc/78/09/11/711780911.db2.gz HUILVMRREYHHOT-MRXNPFEDSA-N 1 0 243.350 2.036 20 30 BEEDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2(C#N)CC2)CCO1 ZINC000721863210 711791935 /nfs/dbraw/zinc/79/19/35/711791935.db2.gz UHWJVMLOBUQATJ-RYUDHWBXSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC(C)C)C1 ZINC000987833665 711792477 /nfs/dbraw/zinc/79/24/77/711792477.db2.gz MHSSGXAIVFMCEJ-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(C)=C2CCC2)C1 ZINC000988820296 711797318 /nfs/dbraw/zinc/79/73/18/711797318.db2.gz OPKAAPBYZAMDLO-SMDDNHRTSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(F)c(F)c1 ZINC000160678724 711809273 /nfs/dbraw/zinc/80/92/73/711809273.db2.gz MOMHLSQBJPBNHG-UHFFFAOYSA-N 1 0 209.239 2.468 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(OC)c1 ZINC000160672183 711809617 /nfs/dbraw/zinc/80/96/17/711809617.db2.gz RFJUQKAQUFVFAZ-UHFFFAOYSA-N 1 0 203.285 2.198 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CCOC2(CCCCC2)C1 ZINC000166704150 711827363 /nfs/dbraw/zinc/82/73/63/711827363.db2.gz KLORSAKYMYPDCK-QWHCGFSZSA-N 1 0 221.344 2.480 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC#Cc2ccccc2)CCO1 ZINC000225801677 711829695 /nfs/dbraw/zinc/82/96/95/711829695.db2.gz MFLYSRLIOPYTGS-HIFRSBDPSA-N 1 0 229.323 2.195 20 30 BEEDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc(C#N)n1 ZINC000602611414 711836129 /nfs/dbraw/zinc/83/61/29/711836129.db2.gz NQEKHMRFZUSFAK-QMMMGPOBSA-N 1 0 243.232 2.384 20 30 BEEDRO CO[C@H]([C@H](C)[NH2+]CC#Cc1ccccc1)C1CC1 ZINC000388288781 711861999 /nfs/dbraw/zinc/86/19/99/711861999.db2.gz TZFRIPAAEMWPLZ-XJKSGUPXSA-N 1 0 243.350 2.441 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000320696010 711937844 /nfs/dbraw/zinc/93/78/44/711937844.db2.gz XIEKAELYZSOWSU-CHWSQXEVSA-N 1 0 239.359 2.005 20 30 BEEDRO CCC[C@](C)(CO)[NH2+]Cc1csc(C#N)c1 ZINC000921749159 711938477 /nfs/dbraw/zinc/93/84/77/711938477.db2.gz JIMKIQNZFBBQKO-GFCCVEGCSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccnn1C1CCC1 ZINC000921848741 711945405 /nfs/dbraw/zinc/94/54/05/711945405.db2.gz MVXFGPSADCIWCQ-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO Cc1cc(C#N)cc(C)c1C[NH2+][C@H](C)C[C@@H](C)O ZINC000921985831 711951295 /nfs/dbraw/zinc/95/12/95/711951295.db2.gz BYSJPCADOZPJHX-CHWSQXEVSA-N 1 0 246.354 2.424 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)C1 ZINC000453292656 711956697 /nfs/dbraw/zinc/95/66/97/711956697.db2.gz OENFIWCUVFZOCV-GVXVVHGQSA-N 1 0 244.342 2.459 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC=CCC2)C1 ZINC001032901112 711966668 /nfs/dbraw/zinc/96/66/68/711966668.db2.gz NERYLJPSAAZGPX-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2ccoc2)C1 ZINC001032904366 711967090 /nfs/dbraw/zinc/96/70/90/711967090.db2.gz HUCDREMFCQANGK-ZDUSSCGKSA-N 1 0 248.326 2.002 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001044388222 711971618 /nfs/dbraw/zinc/97/16/18/711971618.db2.gz FJHZRYKLENGDBH-GHMZBOCLSA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000701023962 712012297 /nfs/dbraw/zinc/01/22/97/712012297.db2.gz FQUNIRVCXJDINW-IMSYWVGJSA-N 1 0 248.164 2.297 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC=CC2)C1 ZINC001033784077 712019583 /nfs/dbraw/zinc/01/95/83/712019583.db2.gz JBQRHMZRCUALBO-CQSZACIVSA-N 1 0 248.370 2.061 20 30 BEEDRO CCN(Cc1ccc(C)c(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000701818902 712030008 /nfs/dbraw/zinc/03/00/08/712030008.db2.gz XGLKOTXACSSTCE-OAHLLOKOSA-N 1 0 243.354 2.051 20 30 BEEDRO Cc1ccc(C[NH2+]C2CCN(C)CC2)cc1C#N ZINC000701874891 712030774 /nfs/dbraw/zinc/03/07/74/712030774.db2.gz PFTSXPHDRIMNEA-UHFFFAOYSA-N 1 0 243.354 2.051 20 30 BEEDRO CC[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701860602 712031333 /nfs/dbraw/zinc/03/13/33/712031333.db2.gz FWAHAVCNHMFLIP-HIFRSBDPSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1ccc(C[NH2+][C@H]2CCCOC2)cc1C#N ZINC000701862022 712031413 /nfs/dbraw/zinc/03/14/13/712031413.db2.gz ZMIAQEPEQLDRDV-AWEZNQCLSA-N 1 0 230.311 2.135 20 30 BEEDRO CCCCCCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000701894470 712032004 /nfs/dbraw/zinc/03/20/04/712032004.db2.gz YYRWKLDJTJGXAD-UHFFFAOYSA-N 1 0 238.375 2.215 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@H](NC(=O)C(C)C)C1 ZINC001034110491 712040798 /nfs/dbraw/zinc/04/07/98/712040798.db2.gz YCJKLTIIXNHENS-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)C2CC=CC2)C1 ZINC001034139679 712041760 /nfs/dbraw/zinc/04/17/60/712041760.db2.gz ALOMEWMIGNATKY-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](CCC)OC)C(C)(C)C ZINC000702230121 712043035 /nfs/dbraw/zinc/04/30/35/712043035.db2.gz YBMMDEXNVKPAIJ-NWDGAFQWSA-N 1 0 211.349 2.439 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1CCCC(F)(F)CC1 ZINC000702827003 712061277 /nfs/dbraw/zinc/06/12/77/712061277.db2.gz IIAHNDPKAGWJCU-SNVBAGLBSA-N 1 0 232.274 2.036 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cccc2c1OCC2 ZINC000703183787 712067865 /nfs/dbraw/zinc/06/78/65/712067865.db2.gz XCYWLJWJWKLQQM-UHFFFAOYSA-N 1 0 247.338 2.304 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1 ZINC000703719336 712084472 /nfs/dbraw/zinc/08/44/72/712084472.db2.gz XRIRRZVHVVZMGC-SECBINFHSA-N 1 0 223.703 2.460 20 30 BEEDRO CCCCCCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000703748989 712085320 /nfs/dbraw/zinc/08/53/20/712085320.db2.gz UBFHLLXEVKLZPH-ZIAGYGMSSA-N 1 0 242.407 2.313 20 30 BEEDRO CCCCCCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000703760414 712086812 /nfs/dbraw/zinc/08/68/12/712086812.db2.gz GKVJUNRNELWAAH-ZDUSSCGKSA-N 1 0 240.391 2.463 20 30 BEEDRO CCCCCCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000703782466 712087807 /nfs/dbraw/zinc/08/78/07/712087807.db2.gz JXXDDNBBNQVPHJ-OLZOCXBDSA-N 1 0 240.391 2.461 20 30 BEEDRO COC1CC(C[NH+]2CCC(CC#N)CC2)C1 ZINC000704232326 712101799 /nfs/dbraw/zinc/10/17/99/712101799.db2.gz LIPHINLMVPOXQJ-UHFFFAOYSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC[C@H]1CCCN(C[C@H]([NH3+])CC(F)F)C1 ZINC000705862681 712137799 /nfs/dbraw/zinc/13/77/99/712137799.db2.gz QRWZYAUMYSCNBY-WDEREUQCSA-N 1 0 232.318 2.257 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)[C@H]1CCCCO1)C(C)C ZINC000705939610 712138043 /nfs/dbraw/zinc/13/80/43/712138043.db2.gz ALZMEHYUUKKYAX-FRRDWIJNSA-N 1 0 209.333 2.191 20 30 BEEDRO CCCCCCCNC(=O)C(C)(C)C[NH3+] ZINC000705972176 712139553 /nfs/dbraw/zinc/13/95/53/712139553.db2.gz VVFKNJCLAMJMJK-UHFFFAOYSA-N 1 0 214.353 2.058 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+][C@@H]1CCOC[C@H]1O ZINC000706721014 712153339 /nfs/dbraw/zinc/15/33/39/712153339.db2.gz HXUVGIGWJRZLAL-BFHYXJOUSA-N 1 0 243.391 2.475 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000707197079 712165986 /nfs/dbraw/zinc/16/59/86/712165986.db2.gz WHIOMHYEKRXEAM-AVGNSLFASA-N 1 0 222.332 2.180 20 30 BEEDRO Cc1cnccc1CN1CCC[C@H](C#N)C1 ZINC000707800728 712178671 /nfs/dbraw/zinc/17/86/71/712178671.db2.gz LXJBAOXWPYPQHT-GFCCVEGCSA-N 1 0 215.300 2.126 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708815977 712199426 /nfs/dbraw/zinc/19/94/26/712199426.db2.gz ANDFADLXFVMNLV-JSGCOSHPSA-N 1 0 236.359 2.427 20 30 BEEDRO COCC#CC[NH2+][C@H](C)[C@@]12C[C@@H]1CCCC2 ZINC000708855343 712201463 /nfs/dbraw/zinc/20/14/63/712201463.db2.gz MJDKQENCZJJUTN-HZSPNIEDSA-N 1 0 221.344 2.195 20 30 BEEDRO C#CCCC[N@@H+]1CCO[C@H](C(C)(C)C)C1 ZINC000708881740 712202624 /nfs/dbraw/zinc/20/26/24/712202624.db2.gz ZGWABULCYZDLEZ-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709916732 712232543 /nfs/dbraw/zinc/23/25/43/712232543.db2.gz BIHQAOQADPIUJU-QWRGUYRKSA-N 1 0 207.321 2.425 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709918054 712233023 /nfs/dbraw/zinc/23/30/23/712233023.db2.gz FTHRPTJSXKVXJY-JTQLQIEISA-N 1 0 207.321 2.283 20 30 BEEDRO CCCN1CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000709978613 712236831 /nfs/dbraw/zinc/23/68/31/712236831.db2.gz WVKNTGSKJKTNRR-OLZOCXBDSA-N 1 0 237.391 2.389 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000709983766 712237063 /nfs/dbraw/zinc/23/70/63/712237063.db2.gz XJSOEVPRUGYCSL-SNVBAGLBSA-N 1 0 248.374 2.455 20 30 BEEDRO C[C@H](Cn1ccnc1)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709992455 712237997 /nfs/dbraw/zinc/23/79/97/712237997.db2.gz WNXIZVYWGMOMLM-VXGBXAGGSA-N 1 0 234.347 2.190 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000710010840 712240143 /nfs/dbraw/zinc/24/01/43/712240143.db2.gz SNICLLJWHQTTKI-GRYCIOLGSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000710016806 712240807 /nfs/dbraw/zinc/24/08/07/712240807.db2.gz LXGAEVLXFNRJEF-STQMWFEESA-N 1 0 237.391 2.246 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1cn(C)cn1 ZINC000710015967 712240892 /nfs/dbraw/zinc/24/08/92/712240892.db2.gz VOHQNVVCPJKPIQ-NSHDSACASA-N 1 0 239.388 2.380 20 30 BEEDRO C#CC1(O)CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000710724682 712255334 /nfs/dbraw/zinc/25/53/34/712255334.db2.gz VVXRKVKBSCSAAH-LBPRGKRZSA-N 1 0 223.360 2.129 20 30 BEEDRO C#CCCCCC[N@H+]1CCC[C@](O)(CC)C1 ZINC000710665808 712265145 /nfs/dbraw/zinc/26/51/45/712265145.db2.gz VDPBWOIFNVNFBS-CQSZACIVSA-N 1 0 223.360 2.417 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C12CCC2 ZINC000459748808 712284412 /nfs/dbraw/zinc/28/44/12/712284412.db2.gz GUEQVASJYZXIJP-NWDGAFQWSA-N 1 0 234.343 2.227 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000711139864 712285190 /nfs/dbraw/zinc/28/51/90/712285190.db2.gz AEPAUNRXEAQQMW-CRWXNKLISA-N 1 0 223.360 2.482 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000711123147 712285257 /nfs/dbraw/zinc/28/52/57/712285257.db2.gz AXZRVHDGILYXDK-LLVKDONJSA-N 1 0 248.351 2.421 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCC(C)(C)CO1 ZINC000711376402 712295693 /nfs/dbraw/zinc/29/56/93/712295693.db2.gz IUBZENVHZRHYNB-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)/C(C)=C\C)CC[C@@H]21 ZINC001036685438 712295720 /nfs/dbraw/zinc/29/57/20/712295720.db2.gz XQXWDNCVCHXVQE-YCYRZOEZSA-N 1 0 248.370 2.061 20 30 BEEDRO COc1ccc(C[N@@H+]2CC[C@H](CF)C2)cc1C#N ZINC000711435047 712299727 /nfs/dbraw/zinc/29/97/27/712299727.db2.gz MBEXBZQHIWXFFA-GFCCVEGCSA-N 1 0 248.301 2.358 20 30 BEEDRO N#Cc1ccc(F)c(C[N@H+]2CC[C@H](CF)C2)c1 ZINC000711435353 712300188 /nfs/dbraw/zinc/30/01/88/712300188.db2.gz OSHDTLXSQRHXSY-LLVKDONJSA-N 1 0 236.265 2.489 20 30 BEEDRO N#Cc1cc(C[N@H+]2CC[C@@H](CF)C2)ccc1F ZINC000711472916 712303437 /nfs/dbraw/zinc/30/34/37/712303437.db2.gz CARBZRAHOSGZQN-NSHDSACASA-N 1 0 236.265 2.489 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCOC1CC1 ZINC000711738663 712321733 /nfs/dbraw/zinc/32/17/33/712321733.db2.gz DYUUEONJKYFVEZ-UHFFFAOYSA-N 1 0 210.321 2.037 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711838226 712332764 /nfs/dbraw/zinc/33/27/64/712332764.db2.gz BMBALSSBGKYDMV-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO COCC1([NH2+]CC#Cc2ccccc2)CCC1 ZINC000378728356 712358812 /nfs/dbraw/zinc/35/88/12/712358812.db2.gz DNJIQSTYEAGVQP-UHFFFAOYSA-N 1 0 229.323 2.197 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000379599423 712390296 /nfs/dbraw/zinc/39/02/96/712390296.db2.gz JLPZCHDSLHDIHX-MRVPVSSYSA-N 1 0 212.680 2.190 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccccc1N(C)C ZINC000740014234 712402242 /nfs/dbraw/zinc/40/22/42/712402242.db2.gz IXSQONXXHPKNHZ-UHFFFAOYSA-N 1 0 248.395 2.209 20 30 BEEDRO CC[N@@H+]1CC[C@H]1CNc1nc(C)cc(C)c1C#N ZINC000712607661 712437382 /nfs/dbraw/zinc/43/73/82/712437382.db2.gz PLJVBPXXZAWQEG-LBPRGKRZSA-N 1 0 244.342 2.076 20 30 BEEDRO CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000712619010 712438478 /nfs/dbraw/zinc/43/84/78/712438478.db2.gz XLBVFLXJNWXAOL-WFASDCNBSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@H]1CCN1C ZINC000712618240 712438491 /nfs/dbraw/zinc/43/84/91/712438491.db2.gz WACQXBSKSGNAFR-CQSZACIVSA-N 1 0 246.354 2.045 20 30 BEEDRO C=CC[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])C(C)C ZINC000713116379 712452899 /nfs/dbraw/zinc/45/28/99/712452899.db2.gz DMVXCKNJRRKVBC-WDEREUQCSA-N 1 0 226.364 2.077 20 30 BEEDRO C=C/C=C\CC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000713498533 712463079 /nfs/dbraw/zinc/46/30/79/712463079.db2.gz AQHXLYQRTSFMRO-ABCZVMIZSA-N 1 0 242.322 2.314 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]CC#Cc2ccccc2)C1 ZINC000714597861 712488246 /nfs/dbraw/zinc/48/82/46/712488246.db2.gz KLVGJWCTANILSR-SHTZXODSSA-N 1 0 229.323 2.053 20 30 BEEDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)C1 ZINC000714476488 712492000 /nfs/dbraw/zinc/49/20/00/712492000.db2.gz BBVMXZBYFIGQTG-BJHJDKERSA-N 1 0 248.301 2.212 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+][C@H](C)CC(C)(C)C#N)C1 ZINC000714658061 712495367 /nfs/dbraw/zinc/49/53/67/712495367.db2.gz XLKATCMQAOLIFX-IJLUTSLNSA-N 1 0 224.348 2.329 20 30 BEEDRO CO[C@H]1C[C@H](C[NH2+]CC(C)(C)CCC#N)C1 ZINC000714692125 712495993 /nfs/dbraw/zinc/49/59/93/712495993.db2.gz TYIWSQWQTYMUCO-HAQNSBGRSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cn(CC)nn1 ZINC000714936755 712500367 /nfs/dbraw/zinc/50/03/67/712500367.db2.gz VPERJBWNOWBNGR-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000715045570 712504524 /nfs/dbraw/zinc/50/45/24/712504524.db2.gz HIGJBJZWLGPMCH-XQHKEYJVSA-N 1 0 209.333 2.044 20 30 BEEDRO N#CC1CC[NH+](C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC000715415278 712517684 /nfs/dbraw/zinc/51/76/84/712517684.db2.gz PWPMYQTYTBWMJD-KBPBESRZSA-N 1 0 234.343 2.180 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000715487957 712518418 /nfs/dbraw/zinc/51/84/18/712518418.db2.gz ZGLRGAVZHCVVIA-PHIMTYICSA-N 1 0 213.271 2.377 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)c1ccns1 ZINC000715937697 712544230 /nfs/dbraw/zinc/54/42/30/712544230.db2.gz AXEXVLWUAAZKQG-IUCAKERBSA-N 1 0 209.318 2.486 20 30 BEEDRO C=CCCC(C)(C)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000715935397 712544313 /nfs/dbraw/zinc/54/43/13/712544313.db2.gz OEWUJKSSOQTMSY-LLVKDONJSA-N 1 0 236.363 2.458 20 30 BEEDRO C#CC[NH2+][C@@H](CC)c1ccccc1OC ZINC000037184833 712553069 /nfs/dbraw/zinc/55/30/69/712553069.db2.gz SQGLDBBOMJNYJW-LBPRGKRZSA-N 1 0 203.285 2.369 20 30 BEEDRO C#CC[NH2+][C@H](CC)c1ccccc1OC ZINC000037184834 712553080 /nfs/dbraw/zinc/55/30/80/712553080.db2.gz SQGLDBBOMJNYJW-GFCCVEGCSA-N 1 0 203.285 2.369 20 30 BEEDRO C#CC[C@@H](COC)Nc1nc2ccccc2[nH]1 ZINC000716387589 712557717 /nfs/dbraw/zinc/55/77/17/712557717.db2.gz HUKBKHCNQMTUOK-JTQLQIEISA-N 1 0 229.283 2.013 20 30 BEEDRO C[N@H+](CCCF)Cc1ccccc1C#N ZINC000716719728 712570639 /nfs/dbraw/zinc/57/06/39/712570639.db2.gz YTFLVZQIABSWHM-UHFFFAOYSA-N 1 0 206.264 2.350 20 30 BEEDRO C[N@H+](CCCF)CCOc1cccc(C#N)c1 ZINC000716719726 712570801 /nfs/dbraw/zinc/57/08/01/712570801.db2.gz YRBNIQCVNMJBMM-UHFFFAOYSA-N 1 0 236.290 2.228 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)CC(C)(C)C ZINC000716816513 712576532 /nfs/dbraw/zinc/57/65/32/712576532.db2.gz CIRBLKBBFYXOGA-VXGBXAGGSA-N 1 0 211.349 2.439 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1cc(F)ccc1F ZINC000716857968 712579220 /nfs/dbraw/zinc/57/92/20/712579220.db2.gz VXKJGHYKZCUBSL-GFCCVEGCSA-N 1 0 239.265 2.093 20 30 BEEDRO CCC[C@@H](CCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000716883886 712580204 /nfs/dbraw/zinc/58/02/04/712580204.db2.gz GKNHVZODGSYEGT-RYUDHWBXSA-N 1 0 226.364 2.455 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1 ZINC000809639468 712584755 /nfs/dbraw/zinc/58/47/55/712584755.db2.gz VNQXCDPWLKWIQK-SWLSCSKDSA-N 1 0 229.323 2.325 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CC[C@H](C#N)C2)cc1 ZINC000809643819 712584904 /nfs/dbraw/zinc/58/49/04/712584904.db2.gz KMYXUECBUZAVNU-LSDHHAIUSA-N 1 0 224.307 2.450 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000825227744 712592020 /nfs/dbraw/zinc/59/20/20/712592020.db2.gz ZNADBWPJHWKKSE-DOMZBBRYSA-N 1 0 229.323 2.325 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](C[C@H]2CCC=CO2)C1 ZINC000826861607 712592616 /nfs/dbraw/zinc/59/26/16/712592616.db2.gz HFLOEIXCEGOZKG-CHWSQXEVSA-N 1 0 220.316 2.305 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CC(C(C)C)C1 ZINC000716928908 712596695 /nfs/dbraw/zinc/59/66/95/712596695.db2.gz PHUSAIIIHXPTQM-CPCZMJQVSA-N 1 0 209.333 2.049 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000716932337 712596921 /nfs/dbraw/zinc/59/69/21/712596921.db2.gz DGKUCKZOICJPCZ-CQSZACIVSA-N 1 0 242.322 2.296 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000716930291 712597036 /nfs/dbraw/zinc/59/70/36/712597036.db2.gz ZTYDPNMBHWCJBP-IGQOVBAYSA-N 1 0 223.360 2.439 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000716949563 712598776 /nfs/dbraw/zinc/59/87/76/712598776.db2.gz YKQRUSYUYHZVBB-SDDRHHMPSA-N 1 0 226.364 2.454 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)ccc1OC ZINC000716950797 712599068 /nfs/dbraw/zinc/59/90/68/712599068.db2.gz XXQLMKZCKRUPKU-AWEZNQCLSA-N 1 0 247.338 2.132 20 30 BEEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cc1cccs1 ZINC000716959657 712600275 /nfs/dbraw/zinc/60/02/75/712600275.db2.gz ZSHLWZXVTXAQCW-VXGBXAGGSA-N 1 0 237.368 2.307 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2c(C)nn(CC)c2C)C1 ZINC000848923771 712610435 /nfs/dbraw/zinc/61/04/35/712610435.db2.gz JNPCPDITBKQNGM-AWEZNQCLSA-N 1 0 245.370 2.365 20 30 BEEDRO C#CCOCCSCC[NH+](C(C)C)C(C)C ZINC000853019184 712613044 /nfs/dbraw/zinc/61/30/44/712613044.db2.gz JBVSZWAXPCJHIW-UHFFFAOYSA-N 1 0 243.416 2.488 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000379854690 712616904 /nfs/dbraw/zinc/61/69/04/712616904.db2.gz BNNQKOZCIBHYQJ-NSHDSACASA-N 1 0 205.305 2.138 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCCCC#N ZINC000379876767 712620004 /nfs/dbraw/zinc/62/00/04/712620004.db2.gz ANGRGBMGNSOXIR-NEPJUHHUSA-N 1 0 210.321 2.085 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)CC1CCCC1 ZINC000379878257 712620072 /nfs/dbraw/zinc/62/00/72/712620072.db2.gz UOCPESFAHMPNHD-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C#CCSCC[NH2+]Cc1ncc(CC)s1 ZINC000379922695 712627588 /nfs/dbraw/zinc/62/75/88/712627588.db2.gz IUWFTRDLXBHLCC-UHFFFAOYSA-N 1 0 240.397 2.162 20 30 BEEDRO C=CC[C@H](C)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000717157637 712637989 /nfs/dbraw/zinc/63/79/89/712637989.db2.gz BYLVBPQLCYBPFS-LPEHRKFASA-N 1 0 236.281 2.163 20 30 BEEDRO C=CC[C@H](C)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000717157632 712638002 /nfs/dbraw/zinc/63/80/02/712638002.db2.gz BYLVBPQLCYBPFS-GUBZILKMSA-N 1 0 236.281 2.163 20 30 BEEDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccc(C#N)o2)C1 ZINC000717285566 712645091 /nfs/dbraw/zinc/64/50/91/712645091.db2.gz RHTBXQBHQUXHOO-GFCCVEGCSA-N 1 0 234.299 2.056 20 30 BEEDRO C=CCC1(O)CC[NH+](CCC(=C)C)CC1 ZINC000717395506 712653853 /nfs/dbraw/zinc/65/38/53/712653853.db2.gz CQPNAKXBLUFRGG-UHFFFAOYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC1(O)CC[NH+](CCOC(C)(C)C)CC1 ZINC000717408576 712656022 /nfs/dbraw/zinc/65/60/22/712656022.db2.gz YQXWDHWGYBCAEN-UHFFFAOYSA-N 1 0 241.375 2.205 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](CCC)C1CCC1 ZINC000717710514 712666297 /nfs/dbraw/zinc/66/62/97/712666297.db2.gz QBXOFKUGMJXKCV-KBPBESRZSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000380006506 712669695 /nfs/dbraw/zinc/66/96/95/712669695.db2.gz ZKINVSKLJZHHGX-UHFFFAOYSA-N 1 0 236.246 2.237 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](CC)Cc1ccccc1 ZINC000717762499 712674294 /nfs/dbraw/zinc/67/42/94/712674294.db2.gz BPZWLYIMCXUVLT-CVEARBPZSA-N 1 0 245.366 2.372 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CCCCC ZINC000717795884 712678211 /nfs/dbraw/zinc/67/82/11/712678211.db2.gz VVSZLOBZXCIAIR-STQMWFEESA-N 1 0 211.349 2.319 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C(CCC)CCC ZINC000717795225 712678352 /nfs/dbraw/zinc/67/83/52/712678352.db2.gz RUCWRANJJFYWDZ-ZDUSSCGKSA-N 1 0 211.349 2.319 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCCC12CCCC2 ZINC000717823939 712681489 /nfs/dbraw/zinc/68/14/89/712681489.db2.gz TZDSDQHHHBHRDK-OLZOCXBDSA-N 1 0 221.344 2.073 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(C)cc(Cl)c1 ZINC000717827430 712681700 /nfs/dbraw/zinc/68/17/00/712681700.db2.gz CEAMRQMPJGJZGX-ZDUSSCGKSA-N 1 0 237.730 2.122 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C ZINC000717823989 712681756 /nfs/dbraw/zinc/68/17/56/712681756.db2.gz USOUPIJBDCIRBN-XJFOESAGSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCCCCCC1 ZINC000717824212 712681801 /nfs/dbraw/zinc/68/18/01/712681801.db2.gz VVESVINRSUXBNV-CQSZACIVSA-N 1 0 223.360 2.463 20 30 BEEDRO C[C@H](CC#N)[NH2+]C1CC(OC(C)(C)C)C1 ZINC000380121374 712688354 /nfs/dbraw/zinc/68/83/54/712688354.db2.gz QOGMVTHENPWFRU-KPPDAEKUSA-N 1 0 210.321 2.224 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C[C@@H](C)C1CCCCC1 ZINC000717841690 712691681 /nfs/dbraw/zinc/69/16/81/712691681.db2.gz VJESNKKAXHOEDN-TZMCWYRMSA-N 1 0 223.360 2.177 20 30 BEEDRO CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H](C#N)C1 ZINC000932153962 712715762 /nfs/dbraw/zinc/71/57/62/712715762.db2.gz CNDAGMSMPTVAOR-GJZGRUSLSA-N 1 0 249.402 2.485 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718810640 712783293 /nfs/dbraw/zinc/78/32/93/712783293.db2.gz FHRDLIZQTJBNNC-UPJWGTAASA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCCCCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718988810 712792353 /nfs/dbraw/zinc/79/23/53/712792353.db2.gz ODOBXWLGLRQQSR-CYBMUJFWSA-N 1 0 239.359 2.428 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000719090974 712796710 /nfs/dbraw/zinc/79/67/10/712796710.db2.gz JGMKJPJFDHXIAQ-LBPRGKRZSA-N 1 0 225.332 2.038 20 30 BEEDRO C[C@@H]1[C@H](Nc2ccc(C#N)cc2F)CC[N@@H+]1C ZINC000719599724 712814024 /nfs/dbraw/zinc/81/40/24/712814024.db2.gz LUGRVNQRESUIKT-BXKDBHETSA-N 1 0 233.290 2.202 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719681364 712821302 /nfs/dbraw/zinc/82/13/02/712821302.db2.gz JNYFPXYWFKCEMQ-SNVBAGLBSA-N 1 0 217.740 2.222 20 30 BEEDRO CN1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C#N ZINC000720361726 712835192 /nfs/dbraw/zinc/83/51/92/712835192.db2.gz COIYPLSZTQXWSU-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO Cc1ccc(CN2C[C@@H]([NH3+])C(C)(C)C2)cc1C#N ZINC000720743970 712863220 /nfs/dbraw/zinc/86/32/20/712863220.db2.gz XEFWYJUWNFTPNL-CQSZACIVSA-N 1 0 243.354 2.036 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccc2c(c1)C[C@H](C)O2 ZINC000720777553 712865250 /nfs/dbraw/zinc/86/52/50/712865250.db2.gz GNYPRSYJASJQAG-QWRGUYRKSA-N 1 0 215.296 2.121 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)C[C@@H](C)O2 ZINC000720791011 712865882 /nfs/dbraw/zinc/86/58/82/712865882.db2.gz QCIQLABMUKOMKB-RISCZKNCSA-N 1 0 247.338 2.037 20 30 BEEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2c1ccc(C#N)cc1 ZINC000720826664 712868779 /nfs/dbraw/zinc/86/87/79/712868779.db2.gz SGTYDLMWSODGFX-HUUCEWRRSA-N 1 0 241.338 2.231 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC(C)C)[C@@H]1CCCO1 ZINC000380312598 712873681 /nfs/dbraw/zinc/87/36/81/712873681.db2.gz HQSQYSSTDZOEOJ-AGIUHOORSA-N 1 0 209.333 2.191 20 30 BEEDRO CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](CC#N)C2)C1 ZINC000721135852 712892086 /nfs/dbraw/zinc/89/20/86/712892086.db2.gz HYFCZLSHGPPNEN-RWMBFGLXSA-N 1 0 222.332 2.037 20 30 BEEDRO C#CCCC[N@@H+](CCC(=O)OC)C1CCCC1 ZINC001209265650 957368295 /nfs/dbraw/zinc/36/82/95/957368295.db2.gz CHCDJKYYQVSDDG-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO COC(C)(C)CC[N@@H+]1CCC[C@H](C#N)CC1 ZINC001209408880 957415328 /nfs/dbraw/zinc/41/53/28/957415328.db2.gz CFFFXARRDDRWAE-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)/C(C)=C\CC)C1CC1 ZINC001266398323 957461723 /nfs/dbraw/zinc/46/17/23/957461723.db2.gz QHIMUBAPIDWXPX-GXJZLWQJSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CC[NH2+]CCC1CC1 ZINC001267415012 959643546 /nfs/dbraw/zinc/64/35/46/959643546.db2.gz XEUZINPZIRHFNW-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCN(C)CCC[NH2+]C1C[C@H](C)C[C@@H](C)C1 ZINC000383127428 959999181 /nfs/dbraw/zinc/99/91/81/959999181.db2.gz HXEVBOJYVZQWSS-ZIAGYGMSSA-N 1 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226.364 2.409 20 30 BEEDRO C=CCCC[N@@H+]1CCc2ccncc2C1 ZINC001209160105 969360602 /nfs/dbraw/zinc/36/06/02/969360602.db2.gz FCUFIIOCBPGHPZ-UHFFFAOYSA-N 1 0 202.301 2.406 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C(=O)OC)[C@@H](C)CC ZINC001209163203 969364601 /nfs/dbraw/zinc/36/46/01/969364601.db2.gz WILOOJHURODSGQ-RYUDHWBXSA-N 1 0 227.348 2.472 20 30 BEEDRO CCCCCCCC[NH2+]C[C@@H](O)COCC ZINC000126842972 1166368474 /nfs/dbraw/zinc/36/84/74/1166368474.db2.gz UOZFDTGLYJAWSB-CYBMUJFWSA-N 1 0 231.380 2.334 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](O)[C@@H](C)CC1 ZINC001209200487 969385789 /nfs/dbraw/zinc/38/57/89/969385789.db2.gz IPGXBGXKIILSTE-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCC[NH+]1CCC(NC(=O)CC)CC1 ZINC001209202623 969388682 /nfs/dbraw/zinc/38/86/82/969388682.db2.gz LNAUTCBYNDFDHB-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCCC[N@H+]1[C@H]2CC[C@H](C2)[C@H]1C(=O)OC ZINC001209208640 969396766 /nfs/dbraw/zinc/39/67/66/969396766.db2.gz VVZYQULQQDKBLS-AGIUHOORSA-N 1 0 237.343 2.369 20 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238.375 2.335 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)/C(C)=C\CC ZINC001699085605 1166435506 /nfs/dbraw/zinc/43/55/06/1166435506.db2.gz SDAYXWPKAAAVIG-FSBNRTBOSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH2+]CC[C@H](C)NC(=O)/C(C)=C/CC ZINC001699085607 1166436014 /nfs/dbraw/zinc/43/60/14/1166436014.db2.gz SDAYXWPKAAAVIG-RPHSKFLZSA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)[C@@H]1CCCCN1C(C)=O ZINC001752130395 1166508101 /nfs/dbraw/zinc/50/81/01/1166508101.db2.gz GGBHHFARDSCPNJ-PWSUYJOCSA-N 1 0 244.766 2.118 20 30 BEEDRO Cc1cnccc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC001254634454 969751941 /nfs/dbraw/zinc/75/19/41/969751941.db2.gz FIDLJEHZJRBDTI-YPMHNXCESA-N 1 0 215.300 2.172 20 30 BEEDRO C[C@@H]1CC(C[N@H+](C)CCC#N)C[C@@H](C)O1 ZINC000724865701 1166536028 /nfs/dbraw/zinc/53/60/28/1166536028.db2.gz XDYJURNKGOKAHF-GHMZBOCLSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CC[NH2+]C1(C)CCN(C(=O)/C(C)=C\C)CC1 ZINC001755126960 1166570020 /nfs/dbraw/zinc/57/00/20/1166570020.db2.gz ZQCJWXYWRZFUSW-SDQBBNPISA-N 1 0 236.359 2.109 20 30 BEEDRO C#CCCC1(CC[NH2+][C@@H]2CCSC2)N=N1 ZINC001255279951 970034460 /nfs/dbraw/zinc/03/44/60/970034460.db2.gz RZXYEGNZTURTRW-SNVBAGLBSA-N 1 0 223.345 2.047 20 30 BEEDRO C=CC[N@@H+]([C@@H]1CCCN(C)C1)C(C)(C)C ZINC001255493641 970252202 /nfs/dbraw/zinc/25/22/02/970252202.db2.gz AGCZYBRQMYUZIQ-GFCCVEGCSA-N 1 0 210.365 2.367 20 30 BEEDRO CCC[C@H](O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695787420 1166684453 /nfs/dbraw/zinc/68/44/53/1166684453.db2.gz NBHFZYYORXPPMZ-QWRGUYRKSA-N 1 0 212.337 2.065 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)CCC ZINC001699438351 1166720077 /nfs/dbraw/zinc/72/00/77/1166720077.db2.gz PZWORHPKKPJWNZ-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C#CCCCCCN1CC[NH+](CC(C)C)CC1 ZINC000686681931 1166747005 /nfs/dbraw/zinc/74/70/05/1166747005.db2.gz WPETVNOGTTVIIQ-UHFFFAOYSA-N 1 0 236.403 2.454 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1ccccc1 ZINC001714204160 1166805555 /nfs/dbraw/zinc/80/55/55/1166805555.db2.gz UCXNOQBQPYQMKW-ZDUSSCGKSA-N 1 0 246.354 2.361 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](C)[C@@H](C)CC ZINC001714567571 1166809112 /nfs/dbraw/zinc/80/91/12/1166809112.db2.gz ARBMNSNBBVSLCR-STQMWFEESA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)CCC ZINC001714605286 1166813188 /nfs/dbraw/zinc/81/31/88/1166813188.db2.gz OBQBBLAUOWPIMR-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)NCC1(C#N)CC1 ZINC001255949451 970582176 /nfs/dbraw/zinc/58/21/76/970582176.db2.gz WOHILMBUGPRPAT-GFCCVEGCSA-N 1 0 223.364 2.000 20 30 BEEDRO C=C(C)C[N@@H+]1CCCN(C(=O)C=C2CCC2)CC1 ZINC000980952928 1166835214 /nfs/dbraw/zinc/83/52/14/1166835214.db2.gz GBAOBOZKGIELPD-UHFFFAOYSA-N 1 0 248.370 2.207 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@@H](C)Cc1cccs1 ZINC000380174156 1166841066 /nfs/dbraw/zinc/84/10/66/1166841066.db2.gz IXQMGOKVJJASOZ-WDEREUQCSA-N 1 0 225.357 2.470 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000162775576 1166864539 /nfs/dbraw/zinc/86/45/39/1166864539.db2.gz NNXCXVHGVOSYJC-ZIAGYGMSSA-N 1 0 249.354 2.289 20 30 BEEDRO Cc1cc(OC[C@@H]2C[NH2+]C[C@H]2C)ccc1C#N ZINC000722471152 1166867115 /nfs/dbraw/zinc/86/71/15/1166867115.db2.gz AJVDCCHBRUOZLT-YPMHNXCESA-N 1 0 230.311 2.101 20 30 BEEDRO COc1cccc(C[C@@H](C)[NH2+]CCS)c1 ZINC001256143927 970671154 /nfs/dbraw/zinc/67/11/54/970671154.db2.gz JUTJXDASVXKHRW-SNVBAGLBSA-N 1 0 225.357 2.146 20 30 BEEDRO C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CC1(C)C ZINC001268444640 1166931044 /nfs/dbraw/zinc/93/10/44/1166931044.db2.gz FIYAUPCXCWPPFJ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)(S)CNc1cccc2c1C[NH2+]CC2 ZINC001170307000 970714392 /nfs/dbraw/zinc/71/43/92/970714392.db2.gz JBBSUIJDNZGRRW-UHFFFAOYSA-N 1 0 236.384 2.453 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000389230022 1166973010 /nfs/dbraw/zinc/97/30/10/1166973010.db2.gz SUEXZSJBDOMBMG-NWDGAFQWSA-N 1 0 211.374 2.377 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]CCC ZINC001268687864 1166980671 /nfs/dbraw/zinc/98/06/71/1166980671.db2.gz KDZFZJIAGJZKCJ-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H](C)C[NH2+]CCCF ZINC001268687753 1166980798 /nfs/dbraw/zinc/98/07/98/1166980798.db2.gz FCZMTLIAWCKPSZ-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)C1=CCCC1 ZINC001268787611 1166987722 /nfs/dbraw/zinc/98/77/22/1166987722.db2.gz OUGAXWOIFVEWGW-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167950138 1167007980 /nfs/dbraw/zinc/00/79/80/1167007980.db2.gz BFDGRTDOYIIHGS-NDBYEHHHSA-N 1 0 204.317 2.411 20 30 BEEDRO N#C[C@@H]1CCC[N@@H+]([C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167950136 1167008412 /nfs/dbraw/zinc/00/84/12/1167008412.db2.gz BFDGRTDOYIIHGS-FVCCEPFGSA-N 1 0 204.317 2.411 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@@H]1CC[C@H](CC)C1 ZINC001173261787 975114406 /nfs/dbraw/zinc/11/44/06/975114406.db2.gz CZQKWLLHRBIQPC-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCOC1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC001173313484 975224586 /nfs/dbraw/zinc/22/45/86/975224586.db2.gz YJJSVVWLVPJNGO-IYXRBSQSSA-N 1 0 239.359 2.126 20 30 BEEDRO CO[C@H]1CC[N@H+](CC2CCC(C#N)CC2)C1 ZINC001332651795 975237864 /nfs/dbraw/zinc/23/78/64/975237864.db2.gz BKXAAONBSRLARP-BPCQOVAHSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCCC(=O)NC[C@@H](C)C[NH2+]CC=C(C)C ZINC001270371557 1167060515 /nfs/dbraw/zinc/06/05/15/1167060515.db2.gz ITZHTKGGLDUICC-ZDUSSCGKSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCC2(C1)OCCO2 ZINC000712785012 1167065010 /nfs/dbraw/zinc/06/50/10/1167065010.db2.gz QAPUOIVMYYTDAB-LBPRGKRZSA-N 1 0 225.332 2.228 20 30 BEEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1C1CCC(CC#N)CC1 ZINC001173330925 975280614 /nfs/dbraw/zinc/28/06/14/975280614.db2.gz HUFHBGSFOCRCLF-ZIHBUVQPSA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@@H]1COCC[N@@H+](C2CCC(CC#N)CC2)C1 ZINC001173331053 975281371 /nfs/dbraw/zinc/28/13/71/975281371.db2.gz KZOLXMOJCYUPIJ-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCOC1CCC([NH2+][C@H](CO)CCC)CC1 ZINC001173315694 975305183 /nfs/dbraw/zinc/30/51/83/975305183.db2.gz PPEFFRCCWCWHGR-MOKVOYLWSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@](C)(C=C)CC)C1 ZINC001752758196 1167147623 /nfs/dbraw/zinc/14/76/23/1167147623.db2.gz OSOYPIQOOARSMK-MBNYWOFBSA-N 1 0 236.359 2.012 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@@H](C)CCC#N)C1 ZINC001332991837 975359899 /nfs/dbraw/zinc/35/98/99/975359899.db2.gz FKILMCFVVRWFKH-STQMWFEESA-N 1 0 222.332 2.203 20 30 BEEDRO C#CC(C)(C)NC1CC[NH+](CC(C)C)CC1 ZINC000232734474 1167158302 /nfs/dbraw/zinc/15/83/02/1167158302.db2.gz YPSVKRMSIUBMGN-UHFFFAOYSA-N 1 0 222.376 2.108 20 30 BEEDRO C=CCC[NH2+][C@H](C)CCCCC(=O)OC ZINC001173442126 975376155 /nfs/dbraw/zinc/37/61/55/975376155.db2.gz KYELDAKAYHXRCL-LLVKDONJSA-N 1 0 213.321 2.274 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CCCC[C@H]1COC ZINC000307778908 1167166302 /nfs/dbraw/zinc/16/63/02/1167166302.db2.gz XSMGEBOLSVAHCS-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCC[C@](C)(O)C2)CC1 ZINC001173599965 975467664 /nfs/dbraw/zinc/46/76/64/975467664.db2.gz UMUJBKPELZHFMY-RUXDESIVSA-N 1 0 236.359 2.306 20 30 BEEDRO CCOC(=O)C[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC#N)C1 ZINC001173650996 975507491 /nfs/dbraw/zinc/50/74/91/975507491.db2.gz JUBHPYUNXYIPFR-QJPTWQEYSA-N 1 0 238.331 2.000 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1ccc(C)o1 ZINC000308939308 1167223655 /nfs/dbraw/zinc/22/36/55/1167223655.db2.gz LTIFEWTTXXTOAA-GHMZBOCLSA-N 1 0 209.289 2.440 20 30 BEEDRO CC[C@H](CC#N)[NH+]1CCC(C)(OC)CC1 ZINC000309026476 1167242367 /nfs/dbraw/zinc/24/23/67/1167242367.db2.gz YHBLYLOTRJWLAR-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cccc(OCC)n1 ZINC000309032094 1167241378 /nfs/dbraw/zinc/24/13/78/1167241378.db2.gz FLGWNOPSTNUFBI-JTQLQIEISA-N 1 0 206.289 2.144 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]CC)C1 ZINC001691523617 1167266553 /nfs/dbraw/zinc/26/65/53/1167266553.db2.gz IMMLRGRXOYWVMH-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C[C@H](COC)[NH2+]C/C=C\c1ccccc1 ZINC000309421582 1167304149 /nfs/dbraw/zinc/30/41/49/1167304149.db2.gz DQSQLRBNGYMTFS-JKEYDSJLSA-N 1 0 217.312 2.490 20 30 BEEDRO C#CC[N@H+](CC1CCC(C#N)CC1)C1CC1 ZINC001334070677 976266687 /nfs/dbraw/zinc/26/66/87/976266687.db2.gz NFFVMPWMGCGFES-UHFFFAOYSA-N 1 0 216.328 2.414 20 30 BEEDRO N#Cc1ccc(OC[C@@H]2CCCC[NH2+]C2)cc1 ZINC000697053142 1167355565 /nfs/dbraw/zinc/35/55/65/1167355565.db2.gz SWDXPEKQHNANQR-CYBMUJFWSA-N 1 0 230.311 2.327 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(=O)OC)cn1 ZINC000384922491 1167374531 /nfs/dbraw/zinc/37/45/31/1167374531.db2.gz FRUFEXCFARQWQH-UHFFFAOYSA-N 1 0 248.326 2.170 20 30 BEEDRO N#CCCOCC[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC000385345871 1167390214 /nfs/dbraw/zinc/39/02/14/1167390214.db2.gz ZHRSUFHGGPGIME-ZIAGYGMSSA-N 1 0 236.359 2.429 20 30 BEEDRO C=C(Br)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172998647 1167399201 /nfs/dbraw/zinc/39/92/01/1167399201.db2.gz OGZSPVKREFWORF-DTORHVGOSA-N 1 0 230.149 2.483 20 30 BEEDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC#N)c1 ZINC000310094121 1167411527 /nfs/dbraw/zinc/41/15/27/1167411527.db2.gz TZRZESYFKOIMNK-FZMZJTMJSA-N 1 0 230.311 2.477 20 30 BEEDRO C#CCCC[NH2+][C@@H]1CCC[C@H](C(=O)OCC)C1 ZINC000225399412 1167443484 /nfs/dbraw/zinc/44/34/84/1167443484.db2.gz PKDDFWXVRCXRNR-QWHCGFSZSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)CC ZINC001230812684 977337499 /nfs/dbraw/zinc/33/74/99/977337499.db2.gz YJUCUZMJZGIKAT-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@H](C)[N@H+](C)Cc1cncc(C#N)c1 ZINC000721608075 977563445 /nfs/dbraw/zinc/56/34/45/977563445.db2.gz XVZYQYKCBFSHQU-JTQLQIEISA-N 1 0 203.289 2.184 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000381234417 1167536630 /nfs/dbraw/zinc/53/66/30/1167536630.db2.gz LOSLCOQAJVIYBU-RWMBFGLXSA-N 1 0 223.360 2.175 20 30 BEEDRO C=C(C)CCC(=O)NCCC1CC[NH+](C)CC1 ZINC001336325449 977631533 /nfs/dbraw/zinc/63/15/33/977631533.db2.gz MCAPYMGXRUDNMO-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CNC(=O)/C(C)=C\CC ZINC001752863365 1167575652 /nfs/dbraw/zinc/57/56/52/1167575652.db2.gz XMNGDTMCAXLOJF-KIWPFMIBSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C=C(CC)CC ZINC001483218304 1167585823 /nfs/dbraw/zinc/58/58/23/1167585823.db2.gz BTNOHYXDFNBJEA-LBPRGKRZSA-N 1 0 238.375 2.403 20 30 BEEDRO C#CC1CC[NH+](Cc2ncsc2C)CC1 ZINC001232213091 977930237 /nfs/dbraw/zinc/93/02/37/977930237.db2.gz WACCIUJRPNKRHH-UHFFFAOYSA-N 1 0 220.341 2.297 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000696104796 1167653562 /nfs/dbraw/zinc/65/35/62/1167653562.db2.gz MXZAYZMNUNYPOH-HOTGVXAUSA-N 1 0 248.414 2.500 20 30 BEEDRO C=CCCSCC[NH2+]C[C@H]1CCCOC1 ZINC000696138801 1167655082 /nfs/dbraw/zinc/65/50/82/1167655082.db2.gz IXCNALBKOUYIRM-GFCCVEGCSA-N 1 0 229.389 2.312 20 30 BEEDRO Cc1nc(N)ccc1C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001232341172 1167682632 /nfs/dbraw/zinc/68/26/32/1167682632.db2.gz MYZQOVIBCCQDHX-LBPRGKRZSA-N 1 0 244.342 2.098 20 30 BEEDRO Cc1ccc(CN2CCCOCC2)c(C#N)c1 ZINC001232962656 978361960 /nfs/dbraw/zinc/36/19/60/978361960.db2.gz POHNMDJPYOVSHF-UHFFFAOYSA-N 1 0 230.311 2.089 20 30 BEEDRO C=C(Cl)C[NH2+]CCCCCCNC(C)=O ZINC001177695972 978417984 /nfs/dbraw/zinc/41/79/84/978417984.db2.gz CZXSMEFXPFYWND-UHFFFAOYSA-N 1 0 232.755 2.025 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000699438526 1167770587 /nfs/dbraw/zinc/77/05/87/1167770587.db2.gz NGXRTIFBQJMGBF-ZIAGYGMSSA-N 1 0 230.311 2.073 20 30 BEEDRO C=C(C)C[NH2+]Cc1cccc2nsnc21 ZINC001178705201 978613238 /nfs/dbraw/zinc/61/32/38/978613238.db2.gz SAIGPODGSWABBH-UHFFFAOYSA-N 1 0 219.313 2.357 20 30 BEEDRO C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H]1C ZINC001233501084 978615445 /nfs/dbraw/zinc/61/54/45/978615445.db2.gz HPHDTZRNIZAJPT-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C#CCCCCC(=O)N(C)[C@@H](C)C[NH2+]CCC ZINC000722002365 978641839 /nfs/dbraw/zinc/64/18/39/978641839.db2.gz FHKBOQZLAACCCR-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO C#CC(C)(C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000070118309 978809373 /nfs/dbraw/zinc/80/93/73/978809373.db2.gz LBQGHRIZVMZTEH-UHFFFAOYSA-N 1 0 248.292 2.015 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)C1CCC1 ZINC001340718644 979076357 /nfs/dbraw/zinc/07/63/57/979076357.db2.gz XQHDAQUTAQEFKB-GFCCVEGCSA-N 1 0 224.348 2.071 20 30 BEEDRO CCCC[C@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001341062034 979212736 /nfs/dbraw/zinc/21/27/36/979212736.db2.gz UISBJDCXLBDYQE-XQQFMLRXSA-N 1 0 224.348 2.209 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001341153813 979229858 /nfs/dbraw/zinc/22/98/58/979229858.db2.gz HPDMANJGDVCIDO-RKDXNWHRSA-N 1 0 223.238 2.214 20 30 BEEDRO C=CCC[N@H+]1CC[C@](C)(NC(=O)CC(C)C)C1 ZINC001484027254 1168221835 /nfs/dbraw/zinc/22/18/35/1168221835.db2.gz KVOJYUNAQLWMBE-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC001484975197 1168239223 /nfs/dbraw/zinc/23/92/23/1168239223.db2.gz CMIDBHIGADAATJ-NWDGAFQWSA-N 1 0 238.375 2.188 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242.363 2.266 20 30 BEEDRO C=CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC ZINC001671006517 1168331402 /nfs/dbraw/zinc/33/14/02/1168331402.db2.gz IFZIXIBMTZWJPQ-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CN(C)C(=O)C1CCCC1 ZINC001331370230 979797893 /nfs/dbraw/zinc/79/78/93/979797893.db2.gz GLBKRYDQGRKFFR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H](C)CN(C)C(=O)c1cc[nH]c1 ZINC001734328089 1168348917 /nfs/dbraw/zinc/34/89/17/1168348917.db2.gz UMDAMACBIMKDPE-GFCCVEGCSA-N 1 0 249.358 2.031 20 30 BEEDRO N#Cc1cc(C[NH2+][C@]23CCC[C@H]2OCC3)cs1 ZINC000922320623 1168375672 /nfs/dbraw/zinc/37/56/72/1168375672.db2.gz MQTPDSMZPCNULR-OLZOCXBDSA-N 1 0 248.351 2.421 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CCC1(OC)OC ZINC000710999619 1168400143 /nfs/dbraw/zinc/40/01/43/1168400143.db2.gz WFSIDWGIZPZCPI-QWRGUYRKSA-N 1 0 213.321 2.082 20 30 BEEDRO C[N@@H+]1CCCC[C@H]1c1ccc(NCC#N)nc1 ZINC001163181895 1168402256 /nfs/dbraw/zinc/40/22/56/1168402256.db2.gz ACTLVEDSXWZACC-LBPRGKRZSA-N 1 0 230.315 2.174 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C(F)F ZINC001151468689 980219318 /nfs/dbraw/zinc/21/93/18/980219318.db2.gz AKPFTMQDRICVDT-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001188906329 980720355 /nfs/dbraw/zinc/72/03/55/980720355.db2.gz NPCKIYNETGRSNO-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1cc[nH]c1C(C)C ZINC001132710655 1168566170 /nfs/dbraw/zinc/56/61/70/1168566170.db2.gz BSEGSTWOQULDQW-UHFFFAOYSA-N 1 0 249.358 2.034 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)C ZINC001133712612 1168574253 /nfs/dbraw/zinc/57/42/53/1168574253.db2.gz HYPWYOVIGFRANH-MNOVXSKESA-N 1 0 246.782 2.268 20 30 BEEDRO CCC#C[C@H](C)N(C)Cc1cnn(CC)c1 ZINC001191069361 980962860 /nfs/dbraw/zinc/96/28/60/980962860.db2.gz HGFLWMZKCUGQAV-LBPRGKRZSA-N 1 0 219.332 2.137 20 30 BEEDRO C#CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCC ZINC001151925729 980963599 /nfs/dbraw/zinc/96/35/99/980963599.db2.gz 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ZINC001172314081 1168679456 /nfs/dbraw/zinc/67/94/56/1168679456.db2.gz HRZNRPXJCXLBFR-NSHDSACASA-N 1 0 230.311 2.010 20 30 BEEDRO N#CCC1CCC(n2ccnc2CC[NH3+])CC1 ZINC001173328173 1168685888 /nfs/dbraw/zinc/68/58/88/1168685888.db2.gz QIXAVQJYTUXZCF-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO CC[N@H+](C1COC1)C1CCC(CC#N)CC1 ZINC001173337623 1168687369 /nfs/dbraw/zinc/68/73/69/1168687369.db2.gz QYDIEOZUTBHCLH-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO N#CCC1CCC(N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC001173335325 1168687862 /nfs/dbraw/zinc/68/78/62/1168687862.db2.gz HUZOIVHKSVDKBQ-YMAMQOFZSA-N 1 0 247.386 2.239 20 30 BEEDRO CC[N@H+](C)[C@H]1CCN(Cc2ccc(C#N)s2)C1 ZINC001177051471 1168710298 /nfs/dbraw/zinc/71/02/98/1168710298.db2.gz YGCXPWLGESTZLU-NSHDSACASA-N 1 0 249.383 2.146 20 30 BEEDRO Cc1cnc(C=C2CC[NH2+]CC2)cc1C#N ZINC001240875744 981923051 /nfs/dbraw/zinc/92/30/51/981923051.db2.gz ULVGSHAXKLIKRU-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO C=CCCCC(=O)N1CC[C@H]([N@@H+](C)C(C)C)C1 ZINC001192058822 1168787285 /nfs/dbraw/zinc/78/72/85/1168787285.db2.gz BSXBHBABBQRRBC-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCOCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCO1 ZINC001198686270 1168825541 /nfs/dbraw/zinc/82/55/41/1168825541.db2.gz TVHFIXAMMBHQAF-ZIAGYGMSSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(CC)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001352424305 982522554 /nfs/dbraw/zinc/52/25/54/982522554.db2.gz USEKETWUQAZSGW-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C=CCCC[N@@H+](C)CCCNC(=O)/C(C)=C/C ZINC001490173486 1168854374 /nfs/dbraw/zinc/85/43/74/1168854374.db2.gz APLRBUQJCBKHTP-AWNIVKPZSA-N 1 0 238.375 2.357 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC001252555668 1168880869 /nfs/dbraw/zinc/88/08/69/1168880869.db2.gz ZWEKWIIISVFYDE-CABCVRRESA-N 1 0 247.338 2.077 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cnn3ccccc23)C1 ZINC000862445463 1168885245 /nfs/dbraw/zinc/88/52/45/1168885245.db2.gz UNRBWVWYIZDZNI-ZDUSSCGKSA-N 1 0 239.322 2.180 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](C)C1CCCCC1 ZINC001252573295 1168887797 /nfs/dbraw/zinc/88/77/97/1168887797.db2.gz AITKVZZOPWJLLO-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)c1nc(C)cs1 ZINC001252573441 1168887828 /nfs/dbraw/zinc/88/78/28/1168887828.db2.gz DVDUAZNRNMSLDD-KOLCDFICSA-N 1 0 226.345 2.039 20 30 BEEDRO C=CCOCC[N@@H+]1CCO[C@H](C(C)(C)C)CC1 ZINC001198801553 982846168 /nfs/dbraw/zinc/84/61/68/982846168.db2.gz RZKXZXYTGVFNCM-ZDUSSCGKSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001202688685 1168962616 /nfs/dbraw/zinc/96/26/16/1168962616.db2.gz UYGMDMWWDHLOIJ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccn2)C1 ZINC000886362953 1168981686 /nfs/dbraw/zinc/98/16/86/1168981686.db2.gz UJTXFDGJRJNTQR-QWHCGFSZSA-N 1 0 214.312 2.488 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C1=CCCC1 ZINC001674652692 1168985355 /nfs/dbraw/zinc/98/53/55/1168985355.db2.gz AAIMNLNMBLXSRT-NEPJUHHUSA-N 1 0 236.359 2.156 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000717852508 1169033249 /nfs/dbraw/zinc/03/32/49/1169033249.db2.gz VZPZXNNMTUKCOO-UONOGXRCSA-N 1 0 235.371 2.463 20 30 BEEDRO CC(C)(C)[C@H](CO)[NH2+]CC1CCC(C#N)CC1 ZINC001354709485 983347915 /nfs/dbraw/zinc/34/79/15/983347915.db2.gz MKNBMLMEGHNDIJ-BPCQOVAHSA-N 1 0 238.375 2.313 20 30 BEEDRO CCC[N@@H+]1CCc2cc(C#N)ccc2C1 ZINC001201633707 983362495 /nfs/dbraw/zinc/36/24/95/983362495.db2.gz IFRCPABYQJBJEC-UHFFFAOYSA-N 1 0 200.285 2.326 20 30 BEEDRO C=CCCCCC[NH+]1CC2(CCN2C)C1 ZINC001276034775 1169064098 /nfs/dbraw/zinc/06/40/98/1169064098.db2.gz BWJRXOQCULJIAM-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO CCCC[C@H](O)C[NH+]1CCC(CC#N)CC1 ZINC001252087835 983470711 /nfs/dbraw/zinc/47/07/11/983470711.db2.gz HQTOEIKKXTUDMF-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@]2(CCNC2=O)C1 ZINC001201762871 983473116 /nfs/dbraw/zinc/47/31/16/983473116.db2.gz YDXNBHLCYYVTTH-AWEZNQCLSA-N 1 0 238.375 2.169 20 30 BEEDRO C=C[C@@H](C)[C@@H](C)C(=O)N1CCC([NH2+]CC)CC1 ZINC001202084689 983551637 /nfs/dbraw/zinc/55/16/37/983551637.db2.gz HSQDINBCYHKJHJ-VXGBXAGGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCN1CC[C@@]2(CCC[N@H+]2[C@H](C)CC)C1=O ZINC001273926093 983555958 /nfs/dbraw/zinc/55/59/58/983555958.db2.gz VXTRKRDTMHOGRM-OCCSQVGLSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CCCCCC[N@@H+](C)C[C@H]1CCCN1C ZINC000686677361 1169108684 /nfs/dbraw/zinc/10/86/84/1169108684.db2.gz GIYKFKGWIYWMDX-CQSZACIVSA-N 1 0 222.376 2.206 20 30 BEEDRO C=C(C)C[N@H+](CC)CCCNC(=O)C(C)(C)C ZINC001490355385 983720427 /nfs/dbraw/zinc/72/04/27/983720427.db2.gz JDGYVOWTXWVAKD-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)CCCC(C)C)C1 ZINC001490563165 983732915 /nfs/dbraw/zinc/73/29/15/983732915.db2.gz UJAJKBRGYITPDU-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+][C@@H](CNC(=O)[C@H](C)CC)C1CC1 ZINC001490637984 983736794 /nfs/dbraw/zinc/73/67/94/983736794.db2.gz MDGVWZRMADASMH-YPMHNXCESA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCOC[C@H](O)C[N@@H+](CCC)CCCC ZINC001252465669 983792571 /nfs/dbraw/zinc/79/25/71/983792571.db2.gz IWLMJEOEDIMVPL-CYBMUJFWSA-N 1 0 229.364 2.062 20 30 BEEDRO C=CCNCC[N@@H+](CC)C1CCCCC1 ZINC000053344303 1169134765 /nfs/dbraw/zinc/13/47/65/1169134765.db2.gz ISVOQCZATJWHKV-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+]1CC[C@@H](C)C(F)(F)CC1 ZINC001252547286 983811932 /nfs/dbraw/zinc/81/19/32/983811932.db2.gz HBOZNPHGLYNKRW-GHMZBOCLSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000878598175 983963595 /nfs/dbraw/zinc/96/35/95/983963595.db2.gz YPHKQENLSYHAGW-GUBZILKMSA-N 1 0 239.281 2.488 20 30 BEEDRO C#CCCCC(=O)NC[C@@H](C)[N@@H+](C)CCCC ZINC001570709623 984028597 /nfs/dbraw/zinc/02/85/97/984028597.db2.gz SIQXVTQCUUEXBD-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC(C)(C)c1nc([C@H]2C[NH+]3CCC2CC3)no1 ZINC000351084973 1169206139 /nfs/dbraw/zinc/20/61/39/1169206139.db2.gz QKDBMCHGSKEWTG-NSHDSACASA-N 1 0 247.342 2.342 20 30 BEEDRO C#CC(CC)(CC)[NH2+]C[C@H](O)C(C)(C)C ZINC001253715214 1169218399 /nfs/dbraw/zinc/21/83/99/1169218399.db2.gz XHSIQCPXSDRGAV-NSHDSACASA-N 1 0 211.349 2.175 20 30 BEEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)c1cnccn1 ZINC001254636374 1169230603 /nfs/dbraw/zinc/23/06/03/1169230603.db2.gz KEHUTAVEKAGHJP-NEPJUHHUSA-N 1 0 244.342 2.036 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](F)C2)C1 ZINC001254635217 1169232555 /nfs/dbraw/zinc/23/25/55/1169232555.db2.gz ONMDORIQZFAKMZ-DDHJBXDOSA-N 1 0 210.296 2.406 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001254644127 1169235012 /nfs/dbraw/zinc/23/50/12/1169235012.db2.gz UVMLCPWXSPAJBI-KGLIPLIRSA-N 1 0 248.370 2.475 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2CCC3(COC3)CC2)C1 ZINC001254644128 1169236222 /nfs/dbraw/zinc/23/62/22/1169236222.db2.gz UVMLCPWXSPAJBI-UONOGXRCSA-N 1 0 248.370 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccnc(F)c2)C1 ZINC001254648202 1169236638 /nfs/dbraw/zinc/23/66/38/1169236638.db2.gz YRRDVZFOWBGUQA-KOLCDFICSA-N 1 0 219.263 2.003 20 30 BEEDRO C#CC1CC[NH+]([C@@H](C)CCOCC)CC1 ZINC001172425648 974702563 /nfs/dbraw/zinc/70/25/63/974702563.db2.gz CXEPDOCPZZDBMD-LBPRGKRZSA-N 1 0 209.333 2.147 20 30 BEEDRO CCOCC[C@H](C)[NH+]1CCC(S)CC1 ZINC001172428740 974705395 /nfs/dbraw/zinc/70/53/95/974705395.db2.gz NEUKQZKALJVBDS-JTQLQIEISA-N 1 0 217.378 2.196 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H](C)[NH2+]C[C@@H](C)CC ZINC001331406541 974708074 /nfs/dbraw/zinc/70/80/74/974708074.db2.gz NWKCHPUOOJEMOW-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO CCOCC[C@@H](C)[NH+]1CCC(S)CC1 ZINC001172428741 974707615 /nfs/dbraw/zinc/70/76/15/974707615.db2.gz NEUKQZKALJVBDS-SNVBAGLBSA-N 1 0 217.378 2.196 20 30 BEEDRO CCN(CC)CC[NH2+][C@H](C)CCCC#N ZINC001172476888 974775466 /nfs/dbraw/zinc/77/54/66/974775466.db2.gz SGPMWAISWZLXFL-GFCCVEGCSA-N 1 0 211.353 2.000 20 30 BEEDRO Cc1noc(C)c1C[NH2+][C@H](C)CCCC#N ZINC001172477856 974776260 /nfs/dbraw/zinc/77/62/60/974776260.db2.gz AUIUHODIPALUCZ-SECBINFHSA-N 1 0 221.304 2.463 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1cncc(F)c1 ZINC001172478860 974777585 /nfs/dbraw/zinc/77/75/85/974777585.db2.gz IBWHBSDFZXFDOB-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO CCN1CCC([NH2+][C@H](C)CCCC#N)CC1 ZINC001172480336 974779223 /nfs/dbraw/zinc/77/92/23/974779223.db2.gz PCQQYUBVQWVYIN-GFCCVEGCSA-N 1 0 223.364 2.143 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CCOCC(C)C ZINC001172452945 974815759 /nfs/dbraw/zinc/81/57/59/974815759.db2.gz ABJDQQJOXOTAIC-ZDUSSCGKSA-N 1 0 211.349 2.441 20 30 BEEDRO C#CC1([NH2+][C@H](C)CCOCC(C)C)CC1 ZINC001172465675 974827890 /nfs/dbraw/zinc/82/78/90/974827890.db2.gz WWGWRDVCHRBUAB-GFCCVEGCSA-N 1 0 209.333 2.193 20 30 BEEDRO COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172489119 974833201 /nfs/dbraw/zinc/83/32/01/974833201.db2.gz OUHCFWNZBXYUOV-IJLUTSLNSA-N 1 0 238.331 2.000 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc2scnc2c1 ZINC001144738507 972979372 /nfs/dbraw/zinc/97/93/72/972979372.db2.gz BNQIVWYYAVMZGZ-UHFFFAOYSA-N 1 0 216.309 2.361 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc(C#N)c1 ZINC000402183268 970766674 /nfs/dbraw/zinc/76/66/74/970766674.db2.gz FAAPEYMUERFZKH-CABCVRRESA-N 1 0 244.338 2.466 20 30 BEEDRO CCCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402186172 970768546 /nfs/dbraw/zinc/76/85/46/970768546.db2.gz FSDZDXQRJTYFQW-AWEZNQCLSA-N 1 0 232.327 2.324 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]CC1(C#N)CCC1 ZINC001162413175 1169450446 /nfs/dbraw/zinc/45/04/46/1169450446.db2.gz JPHQTXQUMHODTL-UHFFFAOYSA-N 1 0 206.365 2.108 20 30 BEEDRO C=CC[C@@H](C=C)OCC1CC[NH+](C)CC1 ZINC001224457644 973658316 /nfs/dbraw/zinc/65/83/16/973658316.db2.gz SDLMQXKTFYUNKA-CYBMUJFWSA-N 1 0 209.333 2.476 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)Cc2ccccn2)C1 ZINC001256420469 970827757 /nfs/dbraw/zinc/82/77/57/970827757.db2.gz BOLUBKXXGAQPSS-KGLIPLIRSA-N 1 0 228.339 2.358 20 30 BEEDRO C[NH2+]CCN(c1cc(C)c(C#N)cn1)C(C)(C)C ZINC001157830196 970830264 /nfs/dbraw/zinc/83/02/64/970830264.db2.gz NLJSAURPLVRSKX-UHFFFAOYSA-N 1 0 246.358 2.086 20 30 BEEDRO CC(C)(C)[NH+]1CCC(NC(C)(C)C#N)CC1 ZINC001256557893 970861330 /nfs/dbraw/zinc/86/13/30/970861330.db2.gz AODBMTCUDQYMDV-UHFFFAOYSA-N 1 0 223.364 2.141 20 30 BEEDRO CCCCN(CC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628773 970894687 /nfs/dbraw/zinc/89/46/87/970894687.db2.gz OMNJZVSZJGFGMK-PBWFPOADSA-N 1 0 235.375 2.237 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)C1CCC1 ZINC001130134690 970934783 /nfs/dbraw/zinc/93/47/83/970934783.db2.gz HQOFTKVZXFGQNS-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC(C)(C)[NH2+][C@@H](C)Cc1ccncc1 ZINC001256719394 970938493 /nfs/dbraw/zinc/93/84/93/970938493.db2.gz PQACRVRZZUPGFH-NSHDSACASA-N 1 0 202.301 2.014 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@@H](C)C(C)(C)C ZINC001130278090 970955947 /nfs/dbraw/zinc/95/59/47/970955947.db2.gz OTSNDBDXIGFONR-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO CC#CC[C@@H](CC)OCCC[N+](C)(C)C ZINC001224622059 973804700 /nfs/dbraw/zinc/80/47/00/973804700.db2.gz FNWBVXWZDABMJO-CYBMUJFWSA-N 1 0 212.357 2.291 20 30 BEEDRO C=C[C@@H](CCC)OCCC[N+](C)(C)C ZINC001224624576 973808560 /nfs/dbraw/zinc/80/85/60/973808560.db2.gz XOTAOTQFMTWGDN-LBPRGKRZSA-N 1 0 200.346 2.454 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CCC(C)(F)F ZINC001130388105 970975915 /nfs/dbraw/zinc/97/59/15/970975915.db2.gz VPEMODOQEUZGGA-UHFFFAOYSA-N 1 0 248.317 2.094 20 30 BEEDRO C#C[C@@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224623990 973809081 /nfs/dbraw/zinc/80/90/81/973809081.db2.gz RZRAEEFVAOHNLX-OAHLLOKOSA-N 1 0 232.347 2.474 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001207536905 1169494395 /nfs/dbraw/zinc/49/43/95/1169494395.db2.gz YXTNFUIINJQORE-CABCVRRESA-N 1 0 236.403 2.356 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC001256788059 970987499 /nfs/dbraw/zinc/98/74/99/970987499.db2.gz YWAVXMYCSNGWOX-KGLIPLIRSA-N 1 0 215.296 2.130 20 30 BEEDRO N#CCOc1ccc(Nc2cc[nH+]cc2)cc1 ZINC001212604857 970987669 /nfs/dbraw/zinc/98/76/69/970987669.db2.gz YHGAEUUAUHRRNP-UHFFFAOYSA-N 1 0 225.251 2.149 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](C)CC(C)C)C1 ZINC001207536908 1169495002 /nfs/dbraw/zinc/49/50/02/1169495002.db2.gz YXTNFUIINJQORE-HUUCEWRRSA-N 1 0 236.403 2.356 20 30 BEEDRO C#CC[N@@H+](C)[C@H]1CCO[C@H](c2ccccc2)C1 ZINC001256818912 970993214 /nfs/dbraw/zinc/99/32/14/970993214.db2.gz BADCKPMQEKAHHJ-GJZGRUSLSA-N 1 0 229.323 2.472 20 30 BEEDRO Cc1nc(/C=C/C2CC[NH2+]CC2)ccc1CC#N ZINC001243893291 971018128 /nfs/dbraw/zinc/01/81/28/971018128.db2.gz ABFSTUANGYIVGR-DUXPYHPUSA-N 1 0 241.338 2.469 20 30 BEEDRO N#CC1CC([NH2+][C@@H]2CCCN(C3CCCC3)C2)C1 ZINC001256907681 971023999 /nfs/dbraw/zinc/02/39/99/971023999.db2.gz FSGXGERXNGAKRE-ROKHWSDSSA-N 1 0 247.386 2.285 20 30 BEEDRO C[C@@H](CC#N)N[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256909784 971021885 /nfs/dbraw/zinc/02/18/85/971021885.db2.gz VVVXVUOOFLRPLE-QWHCGFSZSA-N 1 0 235.375 2.285 20 30 BEEDRO C[N@H+](Cc1ccon1)C1CCC(C#N)CC1 ZINC001256970084 971026590 /nfs/dbraw/zinc/02/65/90/971026590.db2.gz SSVZOAZYXREOJV-UHFFFAOYSA-N 1 0 219.288 2.189 20 30 BEEDRO C[C@@H](C#N)N(C)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256923844 971027250 /nfs/dbraw/zinc/02/72/50/971027250.db2.gz MMYKVJNAAKWJPB-JSGCOSHPSA-N 1 0 235.375 2.237 20 30 BEEDRO N#CC1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC001256953202 971028245 /nfs/dbraw/zinc/02/82/45/971028245.db2.gz DPJGFAHXDLTJTM-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO N#CC1CCC([N@H+]2CCC(=O)[C@@H](F)CC2)CC1 ZINC001256963705 971037984 /nfs/dbraw/zinc/03/79/84/971037984.db2.gz KUPAMBWMQFMSMH-MCIGGMRASA-N 1 0 238.306 2.072 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CCC(C#N)CC2)CCC[C@@H]1O ZINC001256964897 971039126 /nfs/dbraw/zinc/03/91/26/971039126.db2.gz GIJBKOJGVRLPBQ-RYSNWHEDSA-N 1 0 236.359 2.162 20 30 BEEDRO N#CC1CCC(N2CCC[N@@H+]3CCC[C@H]3C2)CC1 ZINC001256968956 971040998 /nfs/dbraw/zinc/04/09/98/971040998.db2.gz UPVJAXBOXJRVRA-NRXISQOPSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1C1CCC(C#N)CC1 ZINC001256965756 971043667 /nfs/dbraw/zinc/04/36/67/971043667.db2.gz ZOORODUDQYBOKX-NELGMTEASA-N 1 0 236.359 2.162 20 30 BEEDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1C1CCC(C#N)CC1 ZINC001256965757 971046496 /nfs/dbraw/zinc/04/64/96/971046496.db2.gz ZOORODUDQYBOKX-RJZJGCCBSA-N 1 0 236.359 2.162 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C1CCC(C#N)CC1 ZINC001256972597 971051621 /nfs/dbraw/zinc/05/16/21/971051621.db2.gz DPRODUKSKHRMRX-BPCQOVAHSA-N 1 0 236.359 2.304 20 30 BEEDRO C[C@@H]1CO[C@@H]2C[N@@H+](C3CCC(C#N)CC3)C[C@H]12 ZINC001256973037 971052505 /nfs/dbraw/zinc/05/25/05/971052505.db2.gz JZQFNZYRXJFSNP-MGBPRESASA-N 1 0 234.343 2.035 20 30 BEEDRO CNc1cc(Nc2ccc(O)c(C#N)c2)cc[nH+]1 ZINC001216337495 971055021 /nfs/dbraw/zinc/05/50/21/971055021.db2.gz CURGDUNFUGXJNF-UHFFFAOYSA-N 1 0 240.266 2.444 20 30 BEEDRO C=C(C)C[NH2+]C1CCC(CC(=O)OC)CC1 ZINC001256973913 971057650 /nfs/dbraw/zinc/05/76/50/971057650.db2.gz APAGSGUHFIVCFH-UHFFFAOYSA-N 1 0 225.332 2.274 20 30 BEEDRO COCC1C[NH+](CCCc2ccc(C#N)cc2)C1 ZINC001208860915 1169509015 /nfs/dbraw/zinc/50/90/15/1169509015.db2.gz YAPQBGTZBZBSTG-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[N@H+](CCCc1ccc(C#N)cc1)[C@@H]1CCOC1 ZINC001208859084 1169509990 /nfs/dbraw/zinc/50/99/90/1169509990.db2.gz RCAAOGVFXDEXHL-OAHLLOKOSA-N 1 0 244.338 2.212 20 30 BEEDRO COC[C@@H]1CC[N@@H+]1CCCc1cccc(C#N)c1 ZINC001208859923 1169510451 /nfs/dbraw/zinc/51/04/51/1169510451.db2.gz DQAWXBLCCYFQCY-HNNXBMFYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CC[C@@H](C(=O)OCC)C1 ZINC001257062083 971083535 /nfs/dbraw/zinc/08/35/35/971083535.db2.gz ZXIPGDZQCOVLQU-OLZOCXBDSA-N 1 0 237.343 2.392 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C(=O)OCC)C2)C1 ZINC001257063452 971086894 /nfs/dbraw/zinc/08/68/94/971086894.db2.gz HIIKEPHCBXTIAP-RDBSUJKOSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@@H]1C[C@@H]([NH+]2CCC(S)CC2)C[C@H](C)O1 ZINC001257098886 971109766 /nfs/dbraw/zinc/10/97/66/971109766.db2.gz JBQJDPMSVNJKBN-JGPRNRPPSA-N 1 0 229.389 2.337 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C2C[C@@H](C)O[C@H](C)C2)C1 ZINC001257098514 971109880 /nfs/dbraw/zinc/10/98/80/971109880.db2.gz AVIBYBZWCCTEGS-JHJVBQTASA-N 1 0 221.344 2.288 20 30 BEEDRO C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@H](C#N)C2)C[C@H](C)O1 ZINC001257100361 971116997 /nfs/dbraw/zinc/11/69/97/971116997.db2.gz WXZNMGIRUQOSCU-RNJOBUHISA-N 1 0 222.332 2.178 20 30 BEEDRO CC(C)[NH+]1CCC(NCc2cc(C#N)co2)CC1 ZINC001257212890 971126707 /nfs/dbraw/zinc/12/67/07/971126707.db2.gz FNGFYQBBVAWVEC-UHFFFAOYSA-N 1 0 247.342 2.114 20 30 BEEDRO CC[C@](C)(C#N)NC1CC[NH+](C(C)C)CC1 ZINC001257208542 971127516 /nfs/dbraw/zinc/12/75/16/971127516.db2.gz MBIBTOYTFHPRDC-CYBMUJFWSA-N 1 0 223.364 2.141 20 30 BEEDRO CC(C)[NH+]1CCC(N2CC[C@](C)(C#N)C2)CC1 ZINC001257223875 971134867 /nfs/dbraw/zinc/13/48/67/971134867.db2.gz GUPODXLRJNALNY-CQSZACIVSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCN1CCC[C@@H]([NH2+][C@H](CC)CCC)C1=O ZINC001257250044 971144039 /nfs/dbraw/zinc/14/40/39/971144039.db2.gz IHSBMAWOQBCCDE-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CC[C@@H](C(=O)OC)C1 ZINC001170552807 971159461 /nfs/dbraw/zinc/15/94/61/971159461.db2.gz CUPUKSZALDXCGI-NEPJUHHUSA-N 1 0 223.316 2.002 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]Cc1cc(C)ns1 ZINC000404419339 971164092 /nfs/dbraw/zinc/16/40/92/971164092.db2.gz QSKOTIAJQBHVPQ-LLVKDONJSA-N 1 0 208.330 2.343 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)CCC(F)F ZINC001131394192 971172306 /nfs/dbraw/zinc/17/23/06/971172306.db2.gz KVSCDERZBHLUAD-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO Cn1c[nH+]cc1Nc1cc(F)c(F)c(C#N)c1 ZINC001211251198 1169532078 /nfs/dbraw/zinc/53/20/78/1169532078.db2.gz AXNQODDHUVLSAB-UHFFFAOYSA-N 1 0 234.209 2.314 20 30 BEEDRO C[C@H](C#N)OCC[NH+]1CCC2(CC2(F)F)CC1 ZINC000404924866 971183706 /nfs/dbraw/zinc/18/37/06/971183706.db2.gz ZNVUIQRQJDXOTJ-SNVBAGLBSA-N 1 0 244.285 2.036 20 30 BEEDRO C=CCC[N@@H+]1C[C@@H](NC(=O)CCC)CC[C@H]1C ZINC001131755184 971267784 /nfs/dbraw/zinc/26/77/84/971267784.db2.gz BSQJUOZCYTZHBL-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC)CC[C@H]1C ZINC001131747606 971262554 /nfs/dbraw/zinc/26/25/54/971262554.db2.gz MMBLYFRIQPFHLC-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO CCCCOC(=O)CC[C@@H](C)[NH2+]CCC#N ZINC001257377293 971291629 /nfs/dbraw/zinc/29/16/29/971291629.db2.gz ZJDKYARQFMZIIC-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C[C@@H]1OC[C@H]([NH2+]Cc2cc(C#N)ccc2F)[C@@H]1C ZINC000405610246 971283601 /nfs/dbraw/zinc/28/36/01/971283601.db2.gz PLDDRAIFGFVVPX-BFVZDQMLSA-N 1 0 248.301 2.210 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H](C)CCC(=O)OCCCC ZINC001257386634 971297421 /nfs/dbraw/zinc/29/74/21/971297421.db2.gz WKITZFPZSNQMGU-VXGBXAGGSA-N 1 0 225.332 2.110 20 30 BEEDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(CC#N)cc2)CO[C@H]1C ZINC000405751661 971303394 /nfs/dbraw/zinc/30/33/94/971303394.db2.gz JJKKFCHAKIDXFB-HUBLWGQQSA-N 1 0 244.338 2.266 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](C)CC ZINC001132304193 971333814 /nfs/dbraw/zinc/33/38/14/971333814.db2.gz JKNULEGHEULZHR-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C1(CC)CCC1 ZINC001132584247 971376542 /nfs/dbraw/zinc/37/65/42/971376542.db2.gz QPKPHVIOCHAIGP-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)[C@@H](F)C(C)C ZINC001132556941 971376746 /nfs/dbraw/zinc/37/67/46/971376746.db2.gz OILSDACQFGBTOW-NEPJUHHUSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C[C@H](C)[C@H](C)C(=O)NCC[NH2+]CC=C(C)C ZINC001132573363 971383171 /nfs/dbraw/zinc/38/31/71/971383171.db2.gz NFWAYSAFKLPPMB-STQMWFEESA-N 1 0 238.375 2.117 20 30 BEEDRO C=C[C@H](C)[C@@H](C)C(=O)NCC[NH2+]CCCCC ZINC001132577129 971384913 /nfs/dbraw/zinc/38/49/13/971384913.db2.gz RPYMDOYYXKMXOS-QWHCGFSZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@@H](C)[C@H](C)C(=O)NCC[NH2+]CCC(C)C ZINC001132577693 971385405 /nfs/dbraw/zinc/38/54/05/971385405.db2.gz YXPIQSHPIRFTIT-OLZOCXBDSA-N 1 0 240.391 2.197 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CN(C(=O)CCC)CC[C@H]1C ZINC001132607095 971390637 /nfs/dbraw/zinc/39/06/37/971390637.db2.gz XXBDIPUUJXMLJL-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](CC)CC(=O)NCC[NH2+]C[C@H](C)CC ZINC001132660107 971396364 /nfs/dbraw/zinc/39/63/64/971396364.db2.gz IZHNIEGBYKTGMH-CHWSQXEVSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[NH2+]CCC1CC1 ZINC001132659607 971398386 /nfs/dbraw/zinc/39/83/86/971398386.db2.gz BLAOEUKPAOMLBV-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO CCCCCCCO[C@H]1C[C@H]2C[NH2+]CCN2C1 ZINC001217799645 971414071 /nfs/dbraw/zinc/41/40/71/971414071.db2.gz KKYRLRKURJBFSH-KBPBESRZSA-N 1 0 240.391 2.020 20 30 BEEDRO C#C[C@@](C)(CC)Nc1nc(N(C)CC)cc(C)[nH+]1 ZINC001158736701 971417677 /nfs/dbraw/zinc/41/76/77/971417677.db2.gz LLOXILYGAWNTCV-AWEZNQCLSA-N 1 0 246.358 2.455 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1OCCc1ccc(C)cc1 ZINC001217830913 971422846 /nfs/dbraw/zinc/42/28/46/971422846.db2.gz IDKKEFBBQGGBPB-OAHLLOKOSA-N 1 0 231.339 2.472 20 30 BEEDRO CCCC[C@H](CC)CO[C@@H]1C[NH2+]C[C@H]1C#N ZINC001217831379 971423131 /nfs/dbraw/zinc/42/31/31/971423131.db2.gz JSTPMUKJGHZTPG-YNEHKIRRSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C1CC[NH2+]C[C@@H]1OCC[Si](C)(C)C ZINC001217833478 971426042 /nfs/dbraw/zinc/42/60/42/971426042.db2.gz WKQKKNVBTXQRMC-NSHDSACASA-N 1 0 213.397 2.259 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCC[C@H](C)C1 ZINC001133075668 971450853 /nfs/dbraw/zinc/45/08/53/971450853.db2.gz AZIPAHWOCPCPFE-QWHCGFSZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+]CCC(C)(C)C ZINC001133143014 971460705 /nfs/dbraw/zinc/46/07/05/971460705.db2.gz MCCBOPNMEYVPIP-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCCC(=O)NCC[NH2+][C@H](C)CCC=C ZINC001133142443 971462121 /nfs/dbraw/zinc/46/21/21/971462121.db2.gz BOEVKKDYLMPXLO-CYBMUJFWSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(C)(C)CC ZINC001133168907 971467726 /nfs/dbraw/zinc/46/77/26/971467726.db2.gz CTBUCBYIPBKNIV-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO N#Cc1coc(C[NH2+][C@@H]2CCCSC2)c1 ZINC001257668311 971470837 /nfs/dbraw/zinc/47/08/37/971470837.db2.gz ONFDCVSPVBYIKA-SNVBAGLBSA-N 1 0 222.313 2.136 20 30 BEEDRO C[C@@]1(C#N)CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001257683499 971488996 /nfs/dbraw/zinc/48/89/96/971488996.db2.gz NJJMDAAMRLWKQT-MNOVXSKESA-N 1 0 210.346 2.118 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+]([C@@H]2CCCSC2)C1 ZINC001257683497 971489268 /nfs/dbraw/zinc/48/92/68/971489268.db2.gz NJJMDAAMRLWKQT-GHMZBOCLSA-N 1 0 210.346 2.118 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)C1(CCC=C)CC1 ZINC001133373885 971502266 /nfs/dbraw/zinc/50/22/66/971502266.db2.gz JZSNBYXWFFMECQ-UHFFFAOYSA-N 1 0 236.359 2.015 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C1CCC(C(=O)OC)CC1 ZINC001257855801 971504307 /nfs/dbraw/zinc/50/43/07/971504307.db2.gz GYVBXSVNJCFXEP-ORHYLEIMSA-N 1 0 237.343 2.110 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+]C3CC(=O)C3)C[C@H](C1)C2 ZINC001257886326 971517538 /nfs/dbraw/zinc/51/75/38/971517538.db2.gz AMEXVQCUYCWQGD-FOSCPWQOSA-N 1 0 219.328 2.442 20 30 BEEDRO C=C1C[C@@H]2CC([N@@H+]3CC[C@H](N)C3)C[C@H](C1)C2 ZINC001257887270 971518021 /nfs/dbraw/zinc/51/80/21/971518021.db2.gz ZPCJUAINCQVWLI-WJLOJVBCSA-N 1 0 220.360 2.154 20 30 BEEDRO C=C1C[C@@H]2CC([NH2+][C@@H]3COC[C@@H]3F)C[C@H](C1)C2 ZINC001257890323 971521848 /nfs/dbraw/zinc/52/18/48/971521848.db2.gz USFGPEMLCFBSSR-PJIALRRASA-N 1 0 239.334 2.448 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)[C@@]1(C)CCC[C@H]1C ZINC001133442803 971529341 /nfs/dbraw/zinc/52/93/41/971529341.db2.gz JNUUVDZDMKRHJJ-OCCSQVGLSA-N 1 0 238.375 2.095 20 30 BEEDRO N#CC1CC[NH+](C2CCC3(COC3)CC2)CC1 ZINC001257904236 971532441 /nfs/dbraw/zinc/53/24/41/971532441.db2.gz CVBTXEJKULLVJQ-UHFFFAOYSA-N 1 0 234.343 2.181 20 30 BEEDRO N#C[C@@H](OC[C@@H]1CCC[NH2+]C1)c1ccccc1F ZINC001217930230 971536529 /nfs/dbraw/zinc/53/65/29/971536529.db2.gz NRMTZYOHOHNVSY-BXUZGUMPSA-N 1 0 248.301 2.407 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)C1CCC1 ZINC001133465455 971537027 /nfs/dbraw/zinc/53/70/27/971537027.db2.gz NTHGPAPSLOQPMB-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)C1CCC1 ZINC001133465454 971538333 /nfs/dbraw/zinc/53/83/33/971538333.db2.gz NTHGPAPSLOQPMB-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+](C2CCC3(COC3)CC2)C1 ZINC001257911848 971542461 /nfs/dbraw/zinc/54/24/61/971542461.db2.gz DKKWAURWRDHVSM-CYBMUJFWSA-N 1 0 234.343 2.181 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C[C@H](C)NC(=O)C(C)(F)F ZINC001133472861 971544971 /nfs/dbraw/zinc/54/49/71/971544971.db2.gz HEOXUQLYFQRIFR-ZJUUUORDSA-N 1 0 248.317 2.091 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H]1COc2ccc(Cl)cc2C1 ZINC001257952369 971545479 /nfs/dbraw/zinc/54/54/79/971545479.db2.gz HTODKLUIFIDSHG-JOYOIKCWSA-N 1 0 235.714 2.255 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C(C)(F)F ZINC001133472860 971546412 /nfs/dbraw/zinc/54/64/12/971546412.db2.gz HEOXUQLYFQRIFR-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1COc2ccc(Cl)cc2C1 ZINC001257969017 971547802 /nfs/dbraw/zinc/54/78/02/971547802.db2.gz UMKNZMNXEFYJSP-LBPRGKRZSA-N 1 0 235.714 2.209 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC1 ZINC001133483170 971548617 /nfs/dbraw/zinc/54/86/17/971548617.db2.gz TXHHVJYYVKZYLQ-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC1CC1 ZINC001133482890 971549078 /nfs/dbraw/zinc/54/90/78/971549078.db2.gz QJGVTGNESMTMMS-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO N#C[C@H]1CC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC001217967302 971550180 /nfs/dbraw/zinc/55/01/80/971550180.db2.gz QFPFVWLQLYTOPE-WCQYABFASA-N 1 0 216.284 2.216 20 30 BEEDRO CC[C@](C)(C#N)NC1CC[NH+](CC(C)C)CC1 ZINC001258006635 971551740 /nfs/dbraw/zinc/55/17/40/971551740.db2.gz JWCJMSPPONXZHL-CQSZACIVSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC(C)C ZINC001133541603 971557528 /nfs/dbraw/zinc/55/75/28/971557528.db2.gz YKFMJUVDPGVXEY-NWDGAFQWSA-N 1 0 226.364 2.091 20 30 BEEDRO Cc1cc(O[C@H]2C[NH2+]CCC[C@H]2F)ccc1C#N ZINC001217979881 971557720 /nfs/dbraw/zinc/55/77/20/971557720.db2.gz IODDSSIEGQSPJS-KGLIPLIRSA-N 1 0 248.301 2.336 20 30 BEEDRO Cc1cccc(O[C@@H]2C[NH2+]CCC[C@H]2F)c1C#N ZINC001217975172 971558816 /nfs/dbraw/zinc/55/88/16/971558816.db2.gz HQBBTIQOIJMJIW-TZMCWYRMSA-N 1 0 248.301 2.336 20 30 BEEDRO C=CCc1ccc(O[C@@H]2C[NH2+]C[C@@H]2F)cc1 ZINC001218001270 971564816 /nfs/dbraw/zinc/56/48/16/971564816.db2.gz SVKRRIMDGKZEGG-QWHCGFSZSA-N 1 0 221.275 2.104 20 30 BEEDRO CCCCCCC[C@H](C)[NH+]1CC(C(N)=O)C1 ZINC001258050922 971572429 /nfs/dbraw/zinc/57/24/29/971572429.db2.gz ZMESWZKRDBZRMX-NSHDSACASA-N 1 0 226.364 2.153 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)CC(C)C ZINC001133590466 971572799 /nfs/dbraw/zinc/57/27/99/971572799.db2.gz LEQJZWRRQCRVJH-OLZOCXBDSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCc1cccc(O[C@H]2C[NH2+]C[C@@H]2F)c1 ZINC001218017638 971573542 /nfs/dbraw/zinc/57/35/42/971573542.db2.gz WRZXJHLVMQAHOU-STQMWFEESA-N 1 0 221.275 2.104 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)c1ccc[nH]1 ZINC001133658749 971583037 /nfs/dbraw/zinc/58/30/37/971583037.db2.gz SNWPHTZPYAVZGU-NWDGAFQWSA-N 1 0 249.358 2.077 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C\CC ZINC001133841020 971608703 /nfs/dbraw/zinc/60/87/03/971608703.db2.gz RXOSJBVSIWFHNK-ASDJVNKTSA-N 1 0 238.375 2.402 20 30 BEEDRO C=CCCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(C)C ZINC001133888600 971616268 /nfs/dbraw/zinc/61/62/68/971616268.db2.gz KPMBTFRLMURFOH-QWHCGFSZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1cc(C)c(C#N)c(C)c1 ZINC001218203907 971626750 /nfs/dbraw/zinc/62/67/50/971626750.db2.gz JYAJLBSVJDYDSX-OAHLLOKOSA-N 1 0 242.322 2.472 20 30 BEEDRO C=CC[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCC1CC1 ZINC001133961021 971627241 /nfs/dbraw/zinc/62/72/41/971627241.db2.gz UCCKXVADZOMPDK-NWDGAFQWSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@H](C)NC(=O)CCC1CC1 ZINC001133961020 971628333 /nfs/dbraw/zinc/62/83/33/971628333.db2.gz UCCKXVADZOMPDK-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C1CC[NH2+]C[C@H]1Oc1c(C)cc(C#N)cc1C ZINC001218203689 971628401 /nfs/dbraw/zinc/62/84/01/971628401.db2.gz HTGUJHXVSSIDRG-CQSZACIVSA-N 1 0 242.322 2.472 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H](OC)C2CCC2)C1 ZINC001330558405 974313722 /nfs/dbraw/zinc/31/37/22/974313722.db2.gz GQKQWBQIPJJISF-KBPBESRZSA-N 1 0 239.359 2.078 20 30 BEEDRO C=C(C)C(=O)OCC[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(C)C ZINC001170721582 971643087 /nfs/dbraw/zinc/64/30/87/971643087.db2.gz WSUJNPGZUGJCSZ-ZSBIGDGJSA-N 1 0 237.343 2.130 20 30 BEEDRO C=CCC[NH2+][C@H](C)C[C@H](C)NC(=O)/C(C)=C\C ZINC001134051420 971653628 /nfs/dbraw/zinc/65/36/28/971653628.db2.gz JLRZRJRRPNRPFH-MENMGGHXSA-N 1 0 238.375 2.402 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@H]1CCC[NH2+]C1 ZINC001218284275 971679360 /nfs/dbraw/zinc/67/93/60/971679360.db2.gz TWISBNKWVCNYLD-KBVGCWLLSA-N 1 0 234.299 2.016 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)C[C@H](C)[NH2+]C(C)C ZINC001134250844 971685351 /nfs/dbraw/zinc/68/53/51/971685351.db2.gz BNPOTNIOXCPLMK-QWHCGFSZSA-N 1 0 238.375 2.071 20 30 BEEDRO C#CCCCC(=O)N[C@@H](C)C[C@H](C)[NH2+]C(C)C ZINC001134250845 971688049 /nfs/dbraw/zinc/68/80/49/971688049.db2.gz BNPOTNIOXCPLMK-STQMWFEESA-N 1 0 238.375 2.071 20 30 BEEDRO C#C[C@H](CC)Oc1ccc2c(c1C)CC[NH2+]C2 ZINC001218290024 971686648 /nfs/dbraw/zinc/68/66/48/971686648.db2.gz CSVKTNSTDHYNNS-CYBMUJFWSA-N 1 0 229.323 2.431 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1c(C)cccc1C ZINC001134238875 971690791 /nfs/dbraw/zinc/69/07/91/971690791.db2.gz CPVURSOLSHWPGY-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO CC[C@@H](CC#N)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172104705 974368342 /nfs/dbraw/zinc/36/83/42/974368342.db2.gz CKLLSMIYDRCWTN-XDQVBPFNSA-N 1 0 235.375 2.284 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC[C@@H](C)F ZINC001134411961 971720809 /nfs/dbraw/zinc/72/08/09/971720809.db2.gz NWEHCJQWVZWMTL-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CC[C@H](C)F ZINC001134411962 971721989 /nfs/dbraw/zinc/72/19/89/971721989.db2.gz NWEHCJQWVZWMTL-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[NH2+]CCC1CC1 ZINC001134411685 971724117 /nfs/dbraw/zinc/72/41/17/971724117.db2.gz BKCMORYRBISSPU-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C#C[C@H](CC(C)C)Oc1cc(N)ccn1 ZINC001218355752 971728603 /nfs/dbraw/zinc/72/86/03/971728603.db2.gz LVCMNJPDELHVCI-LLVKDONJSA-N 1 0 204.273 2.091 20 30 BEEDRO CC1(C)[C@@H]2C[C@H]([N@@H+]3CC[C@H](C#N)C3)C[C@@H]21 ZINC001170759810 971733693 /nfs/dbraw/zinc/73/36/93/971733693.db2.gz DKKYCPNRMKDGFQ-WISYIIOYSA-N 1 0 204.317 2.266 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)[C@@H](C)C(C)C ZINC001134643799 971747706 /nfs/dbraw/zinc/74/77/06/971747706.db2.gz FPYQQAODBCSWEU-STQMWFEESA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCc1ccc(O[C@H]2C[NH2+][C@H]2C)cc1 ZINC001218393174 971772466 /nfs/dbraw/zinc/77/24/66/971772466.db2.gz SPLHKGZZRCOXDK-GWCFXTLKSA-N 1 0 203.285 2.154 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCOCC2)CC1 ZINC001170775813 971798291 /nfs/dbraw/zinc/79/82/91/971798291.db2.gz OZYQSWFDNNFHSN-RWMBFGLXSA-N 1 0 222.332 2.227 20 30 BEEDRO Cc1c[nH+]c(NCC(C)(C)S)cc1N ZINC001159267846 971802408 /nfs/dbraw/zinc/80/24/08/971802408.db2.gz JLZOHAIAODOGSG-UHFFFAOYSA-N 1 0 211.334 2.093 20 30 BEEDRO Cc1cc(C#N)cc(C)c1O[C@H]1[C@@H]2CC[C@H]1[NH2+]C2 ZINC001218443296 971819356 /nfs/dbraw/zinc/81/93/56/971819356.db2.gz ZLPGSYPJFMIGPD-NFAWXSAZSA-N 1 0 242.322 2.304 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)CC1(C)CC1 ZINC001135032364 971821916 /nfs/dbraw/zinc/82/19/16/971821916.db2.gz CZXKCQBOPWYWDH-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1[NH2+]CCC[C@H]1Oc1ccccc1N ZINC001218455372 971823854 /nfs/dbraw/zinc/82/38/54/971823854.db2.gz JSIFQYKGZMPNAH-TZMCWYRMSA-N 1 0 232.327 2.344 20 30 BEEDRO C#C[C@@H](C)Oc1ccc(F)cc1C[NH+](C)C ZINC001229855012 1169669009 /nfs/dbraw/zinc/66/90/09/1169669009.db2.gz RCFXTPACACFEEH-SNVBAGLBSA-N 1 0 221.275 2.288 20 30 BEEDRO C#Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c1 ZINC001231658412 1169675767 /nfs/dbraw/zinc/67/57/67/1169675767.db2.gz VXAOSVSCNDUJJU-BBRMVZONSA-N 1 0 243.350 2.261 20 30 BEEDRO C[C@H]1C[C@@H](CF)N(Cc2cncc(C#N)c2)C1 ZINC001144074345 972543948 /nfs/dbraw/zinc/54/39/48/972543948.db2.gz JMZPNHXHPRJQAP-GWCFXTLKSA-N 1 0 233.290 2.133 20 30 BEEDRO C#Cc1cccc(C[N@H+](CC)CCC(=O)OC)c1 ZINC001231660334 1169680174 /nfs/dbraw/zinc/68/01/74/1169680174.db2.gz CNANSYJMQHPLCS-UHFFFAOYSA-N 1 0 245.322 2.053 20 30 BEEDRO C=C1CC(C)(C(=O)N[C@@H](C)C[C@H](C)[NH2+]CC)C1 ZINC001135427128 971889479 /nfs/dbraw/zinc/88/94/79/971889479.db2.gz MAJZYODDDOKBRX-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC1 ZINC001172292713 974560668 /nfs/dbraw/zinc/56/06/68/974560668.db2.gz QQIFKGVCNAZPFN-LLVKDONJSA-N 1 0 214.312 2.489 20 30 BEEDRO CCC[N@H+](CCC#N)[C@@H]1CCCOCC1 ZINC001170827911 971933637 /nfs/dbraw/zinc/93/36/37/971933637.db2.gz PEGACPLMMAPKFE-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)CC[C@@H](C)CC ZINC001135615694 971944022 /nfs/dbraw/zinc/94/40/22/971944022.db2.gz SOUZSRUIDPPGOS-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C(CC)(CC)CC ZINC001135826740 971975325 /nfs/dbraw/zinc/97/53/25/971975325.db2.gz ZJSHODPYORHPQY-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CCCC[N@@H+]1CCN[C@H](Cc2ccccc2)C1 ZINC000310646690 971979720 /nfs/dbraw/zinc/97/97/20/971979720.db2.gz FEXASRQQXDWQBZ-MRXNPFEDSA-N 1 0 244.382 2.469 20 30 BEEDRO C[C@H]1CNC(NN=C2CC3(C2)CCCCC3)=[NH+]1 ZINC000817325430 971985038 /nfs/dbraw/zinc/98/50/38/971985038.db2.gz BRZTYVBPHBTUTC-JTQLQIEISA-N 1 0 234.347 2.024 20 30 BEEDRO C=C(C)CC[NH2+]CCNC(=O)[C@H](CC)CCC ZINC001135878647 971990272 /nfs/dbraw/zinc/99/02/72/971990272.db2.gz XRSUXLBCOAXCHK-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO CC[C@@H](C)OCC[C@@H](C)[NH2+]CCCS ZINC001172342388 974612254 /nfs/dbraw/zinc/61/22/54/974612254.db2.gz KYRHOQXJTSXHGR-GHMZBOCLSA-N 1 0 219.394 2.490 20 30 BEEDRO C=CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)C(C)(C)C ZINC001135988632 972017840 /nfs/dbraw/zinc/01/78/40/972017840.db2.gz OOWNBJCZQWBKMF-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CC[NH2+][C@H](C)C[C@@H](C)NC(=O)C(C)(C)C ZINC001135982440 972015159 /nfs/dbraw/zinc/01/51/59/972015159.db2.gz GPTFLFOUGDTTMY-GHMZBOCLSA-N 1 0 226.364 2.091 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]CC(=O)NC ZINC001172346851 974615530 /nfs/dbraw/zinc/61/55/30/974615530.db2.gz NHUCPSCQSYOIOL-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)[C@H]1C[C@@]1(C)CC ZINC001136101001 972034323 /nfs/dbraw/zinc/03/43/23/972034323.db2.gz WSYBLOFKPONEKY-TZMCWYRMSA-N 1 0 238.375 2.095 20 30 BEEDRO C[C@@H]([NH3+])CCNc1cccc(CC#N)c1F ZINC001170891478 972046870 /nfs/dbraw/zinc/04/68/70/972046870.db2.gz YVDNHJLIEUQATF-SECBINFHSA-N 1 0 221.279 2.041 20 30 BEEDRO CCCCCCC[C@@H](C)C(=O)NCC[NH3+] ZINC001219870443 972100052 /nfs/dbraw/zinc/10/00/52/972100052.db2.gz DTCUYGRMJGXBAY-LLVKDONJSA-N 1 0 214.353 2.058 20 30 BEEDRO C=CC[NH2+][C@H]1CCc2cccc(F)c2C1 ZINC001170955132 972148553 /nfs/dbraw/zinc/14/85/53/972148553.db2.gz JTBKRGNOEVYXEE-NSHDSACASA-N 1 0 205.276 2.459 20 30 BEEDRO CCCCCCC[C@H](CC)[NH2+]CC1(O)CNC1 ZINC001246098650 972153453 /nfs/dbraw/zinc/15/34/53/972153453.db2.gz TZWTZCSFHKVJPU-ZDUSSCGKSA-N 1 0 242.407 2.049 20 30 BEEDRO N#Cc1ccc2c(c1)C[N@@H+](C[C@H]1CCCO1)CC2 ZINC001207847830 956868854 /nfs/dbraw/zinc/86/88/54/956868854.db2.gz WJRWVQJRQFXWJF-OAHLLOKOSA-N 1 0 242.322 2.095 20 30 BEEDRO FC(F)Oc1cc[nH+]c(NCCCS)c1 ZINC001171003181 972228675 /nfs/dbraw/zinc/22/86/75/972228675.db2.gz MTWGWLSBDRQEFB-UHFFFAOYSA-N 1 0 234.271 2.415 20 30 BEEDRO C=C(C)[C@@H]1CC=C(C[NH+]2CC(C(=O)OC)C2)CC1 ZINC001208170057 957054557 /nfs/dbraw/zinc/05/45/57/957054557.db2.gz CBKATMZXWJLFBQ-CYBMUJFWSA-N 1 0 249.354 2.394 20 30 BEEDRO C=CCN(CC=C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001208608021 957093039 /nfs/dbraw/zinc/09/30/39/957093039.db2.gz FDZSSPXZZPKUHD-CYBMUJFWSA-N 1 0 208.349 2.002 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)cc1C#N ZINC000705350839 957160509 /nfs/dbraw/zinc/16/05/09/957160509.db2.gz DJNJXUPYIGPKNG-DOMZBBRYSA-N 1 0 244.338 2.212 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)CCC(C)C ZINC001266309049 957190505 /nfs/dbraw/zinc/19/05/05/957190505.db2.gz LSIPZIOCXZEGGW-UHFFFAOYSA-N 1 0 240.391 2.293 20 30 BEEDRO N#CCCC[NH2+]Cc1cccc2c1OCC2 ZINC000692980674 957203257 /nfs/dbraw/zinc/20/32/57/957203257.db2.gz CHPPRWVGAQDUQA-UHFFFAOYSA-N 1 0 216.284 2.015 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001266315266 957204173 /nfs/dbraw/zinc/20/41/73/957204173.db2.gz RWHFZFREFFZYGX-YFTXEMMHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[C@H](C)CC)C1 ZINC001266316311 957204334 /nfs/dbraw/zinc/20/43/34/957204334.db2.gz AEVLEMYRVFSLPU-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)/C=C(/C)CC)C1 ZINC001266318029 957214465 /nfs/dbraw/zinc/21/44/65/957214465.db2.gz XUSAYIXLSNPZKP-FSBNRTBOSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000234856027 957255296 /nfs/dbraw/zinc/25/52/96/957255296.db2.gz NTDQCMHJDVUXGR-DTWKUNHWSA-N 1 0 203.713 2.142 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C/C=C(\C)C=C)C1 ZINC001209038592 957293362 /nfs/dbraw/zinc/29/33/62/957293362.db2.gz DZELTSDVLJWYRY-MAUPQMMJSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C(=O)OC)C(C)C ZINC001209162954 957340707 /nfs/dbraw/zinc/34/07/07/957340707.db2.gz QEAJSQGPCWSHAF-NSHDSACASA-N 1 0 213.321 2.082 20 30 BEEDRO C=CCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](C)C1 ZINC001209160326 957337318 /nfs/dbraw/zinc/33/73/18/957337318.db2.gz QLMKVZWEJDFWGO-NWDGAFQWSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](CO)CC[C@H]1C ZINC001209200088 957349507 /nfs/dbraw/zinc/34/95/07/957349507.db2.gz BNTTYTUGZNSISE-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@]2(C1)CCCCO2 ZINC001209262321 957368666 /nfs/dbraw/zinc/36/86/66/957368666.db2.gz RXWBYWPYMDAAHN-ZDUSSCGKSA-N 1 0 207.317 2.045 20 30 BEEDRO C#CCCC[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001209266903 957377215 /nfs/dbraw/zinc/37/72/15/957377215.db2.gz FUMKRTMGAUAIIN-JKSUJKDBSA-N 1 0 243.350 2.078 20 30 BEEDRO C=CCCCCC[NH+]1CCN(CCF)CC1 ZINC001209429187 957455650 /nfs/dbraw/zinc/45/56/50/957455650.db2.gz WIBNXVJENJXGDI-UHFFFAOYSA-N 1 0 228.355 2.320 20 30 BEEDRO C=CCCCCCC[NH+]1CC2(C1)CS(=O)C2 ZINC001209431476 957461301 /nfs/dbraw/zinc/46/13/01/957461301.db2.gz PBAQICLPPYZVHD-UHFFFAOYSA-N 1 0 241.400 2.187 20 30 BEEDRO C=CCCCCCC[NH+]1CC(C(=O)N(C)C)C1 ZINC001209436876 957471817 /nfs/dbraw/zinc/47/18/17/957471817.db2.gz YMHONKUNNOXUEI-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO C=CCCCCCC[N@@H+]1CCO[C@H](COC)C1 ZINC001209441172 957475730 /nfs/dbraw/zinc/47/57/30/957475730.db2.gz USFNNAXLOHTTQV-AWEZNQCLSA-N 1 0 241.375 2.470 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CC#N)C2)[nH]1 ZINC001209574899 957509455 /nfs/dbraw/zinc/50/94/55/957509455.db2.gz YUUUZRUROFZCRA-LBPRGKRZSA-N 1 0 217.316 2.449 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)c1c(C)cccc1C ZINC001167246121 957578779 /nfs/dbraw/zinc/57/87/79/957578779.db2.gz XAVAFGLOYUBDIS-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=C(C)c1ccc(N[C@H]2CC[N@@H+](C)C2)nc1 ZINC001167272946 957615176 /nfs/dbraw/zinc/61/51/76/957615176.db2.gz JJNCGEQXBSZJAR-LBPRGKRZSA-N 1 0 217.316 2.231 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]C(CCO)CCO ZINC001246338620 972297143 /nfs/dbraw/zinc/29/71/43/972297143.db2.gz JZVWSFFBLBDMCB-CYBMUJFWSA-N 1 0 245.407 2.458 20 30 BEEDRO C=C1CC=C(F)C=C1N[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246334456 972297330 /nfs/dbraw/zinc/29/73/30/972297330.db2.gz CYVWWJYYHPBQPN-ZYHUDNBSSA-N 1 0 222.307 2.414 20 30 BEEDRO C=CCC(C)(C)C(=O)NCCC[NH2+]C(C)C ZINC001167365814 957904740 /nfs/dbraw/zinc/90/47/40/957904740.db2.gz HXIZSWPQQRCOOW-UHFFFAOYSA-N 1 0 226.364 2.093 20 30 BEEDRO Cc1cc(C#N)c(Nc2c[nH+]cn2C)s1 ZINC001211244834 958105108 /nfs/dbraw/zinc/10/51/08/958105108.db2.gz FFTSXYGQOZDCGL-UHFFFAOYSA-N 1 0 218.285 2.405 20 30 BEEDRO COc1ccc(Nc2c[nH+]cn2C)cc1C#N ZINC001211250246 958116785 /nfs/dbraw/zinc/11/67/85/958116785.db2.gz KCGFJCOEHQCXRA-UHFFFAOYSA-N 1 0 228.255 2.044 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)C[C@@H](C)CC)C1 ZINC001279223021 958132265 /nfs/dbraw/zinc/13/22/65/958132265.db2.gz AMFZREKYPSNASW-HIFPTAJRSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@@H]1C[C@@H]1C[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000402182794 958181060 /nfs/dbraw/zinc/18/10/60/958181060.db2.gz DYNZZAASAANGTF-DFBGVHRSSA-N 1 0 244.338 2.179 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(C#N)c2)C1 ZINC000402207379 958185280 /nfs/dbraw/zinc/18/52/80/958185280.db2.gz LFCGMXZPVILLSN-IUODEOHRSA-N 1 0 244.338 2.324 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)/C(C)=C/C ZINC001266670969 958207388 /nfs/dbraw/zinc/20/73/88/958207388.db2.gz ALGIQEYOWSCODF-BWODNOAJSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000971268775 958238073 /nfs/dbraw/zinc/23/80/73/958238073.db2.gz YCPUDYYQLYUGIT-PSKZRQQASA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[NH2+]CCN(C)C(=O)C(C)=C1CCC1 ZINC001266694621 958263873 /nfs/dbraw/zinc/26/38/73/958263873.db2.gz UCDNFEXASDGOQZ-UHFFFAOYSA-N 1 0 236.359 2.111 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000690064324 958289513 /nfs/dbraw/zinc/28/95/13/958289513.db2.gz BPRJFQNCWXVMIU-WFASDCNBSA-N 1 0 245.322 2.218 20 30 BEEDRO C#CCC1([NH2+]CCC(=O)OC(C)(C)C)CCC1 ZINC000933301004 958349405 /nfs/dbraw/zinc/34/94/05/958349405.db2.gz IHLVWLFJNTXTML-UHFFFAOYSA-N 1 0 237.343 2.254 20 30 BEEDRO C#Cc1ccc(-c2ccc(C[NH3+])nc2)cc1 ZINC001242294533 1169753056 /nfs/dbraw/zinc/75/30/56/1169753056.db2.gz HZVCYQRAHHGPTD-UHFFFAOYSA-N 1 0 208.264 2.189 20 30 BEEDRO C#CC[NH2+][C@H]1CCc2cc(Cl)ccc2C1 ZINC001171095104 972350209 /nfs/dbraw/zinc/35/02/09/972350209.db2.gz NJVNHWZFCFSODS-ZDUSSCGKSA-N 1 0 219.715 2.420 20 30 BEEDRO C#CCN(CC#C)Cc1cc2ccccc2n1C ZINC000197391274 972354236 /nfs/dbraw/zinc/35/42/36/972354236.db2.gz JJWUPMPEKWOQIQ-UHFFFAOYSA-N 1 0 236.318 2.247 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC(C)C ZINC001266857518 958515557 /nfs/dbraw/zinc/51/55/57/958515557.db2.gz HWPBRYCWVXOPEJ-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccoc1 ZINC001266861283 958518665 /nfs/dbraw/zinc/51/86/65/958518665.db2.gz WFGAEXLNUDJKJH-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO COc1cccc(-c2cccc(C[NH3+])n2)c1C#N ZINC001242297003 1169755353 /nfs/dbraw/zinc/75/53/53/1169755353.db2.gz IBNZCWAMVDXGRH-UHFFFAOYSA-N 1 0 239.278 2.088 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)[C@H](CCC)C(C)C ZINC001266975088 958688074 /nfs/dbraw/zinc/68/80/74/958688074.db2.gz JYLDOWNHZOFADA-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO N#CCC1(NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCC1 ZINC001246517723 972373937 /nfs/dbraw/zinc/37/39/37/972373937.db2.gz BGJPYWQTUAFPJY-FUNVUKJBSA-N 1 0 233.359 2.085 20 30 BEEDRO CCCCCCCNC(=O)C[NH2+]C(C)(C)C ZINC000100063731 958763107 /nfs/dbraw/zinc/76/31/07/958763107.db2.gz FARCJCLBEDOFHS-UHFFFAOYSA-N 1 0 228.380 2.461 20 30 BEEDRO C#CCCC[NH2+]Cc1nc(C(C)(C)C)co1 ZINC000724358343 958814588 /nfs/dbraw/zinc/81/45/88/958814588.db2.gz PQMWHIVUBHDZNC-UHFFFAOYSA-N 1 0 220.316 2.475 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC)C1 ZINC001267075808 958838742 /nfs/dbraw/zinc/83/87/42/958838742.db2.gz QUNFCZODQBXWEV-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C(C)(CC)CC ZINC001267099710 958873282 /nfs/dbraw/zinc/87/32/82/958873282.db2.gz ZQDTVDILCHPKFV-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CCNC(=O)C(C)(F)F ZINC001267116281 958891868 /nfs/dbraw/zinc/89/18/68/958891868.db2.gz DNWYRERWGFMCCU-SNVBAGLBSA-N 1 0 248.317 2.092 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(C)c(C(=O)OC)c1 ZINC001167577415 958927852 /nfs/dbraw/zinc/92/78/52/958927852.db2.gz TYOUMISUCQXYLQ-UHFFFAOYSA-N 1 0 245.322 2.237 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)[C@H]1CC[C@@H](C)C1 ZINC001167598416 959007211 /nfs/dbraw/zinc/00/72/11/959007211.db2.gz YSRQEMKBUHCYJT-OLZOCXBDSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@H](NC(C)=O)CC1 ZINC001327093372 972401522 /nfs/dbraw/zinc/40/15/22/972401522.db2.gz BZEPMFHINQEIJU-OCCSQVGLSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@@H](C)[NH+]1CCC(CNC(C)=O)CC1 ZINC001222180459 972403373 /nfs/dbraw/zinc/40/33/73/972403373.db2.gz CYYFNAACGLRDKO-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C[C@H](C)C1CC1 ZINC001267232145 959248845 /nfs/dbraw/zinc/24/88/45/959248845.db2.gz ALXORXOIUXGTEH-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)CC)C1 ZINC001207363260 959286568 /nfs/dbraw/zinc/28/65/68/959286568.db2.gz MUYQCZKSGIKYOE-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCCC2CCC2)CC1 ZINC001327117343 972419094 /nfs/dbraw/zinc/41/90/94/972419094.db2.gz WKJWLBDAQRJAJF-UHFFFAOYSA-N 1 0 249.354 2.065 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000308989286 959550133 /nfs/dbraw/zinc/55/01/33/959550133.db2.gz KRDNEOGLFUBRJL-RYUDHWBXSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[C@@H]1C ZINC001267421024 959647853 /nfs/dbraw/zinc/64/78/53/959647853.db2.gz PGGDKQPUAGICIQ-STQMWFEESA-N 1 0 238.375 2.047 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CC1CCC1)[C@H]1CCCO1 ZINC000309781252 959695741 /nfs/dbraw/zinc/69/57/41/959695741.db2.gz RGYWOQMANANVSW-KWCYVHTRSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CC[C@@H](OC[C@H]1COC(C)(C)[NH2+]1)C(C)C ZINC001217925395 959773183 /nfs/dbraw/zinc/77/31/83/959773183.db2.gz ORECQJPJKPUKDJ-NWDGAFQWSA-N 1 0 227.348 2.328 20 30 BEEDRO C=CCC[C@@H](CC)OC[C@@H]1COC(C)(C)[NH2+]1 ZINC001217924552 959773924 /nfs/dbraw/zinc/77/39/24/959773924.db2.gz JVTSIVSPKDDTSS-VXGBXAGGSA-N 1 0 227.348 2.472 20 30 BEEDRO C/C(=N\O)c1ccccc1O[C@@H]1CCCC[NH2+]C1 ZINC001217975870 959809191 /nfs/dbraw/zinc/80/91/91/959809191.db2.gz UWCMFWZSOCHUSX-PILJQMSFSA-N 1 0 248.326 2.406 20 30 BEEDRO C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](C#N)C2)C[C@H](C)O1 ZINC000724859809 959826253 /nfs/dbraw/zinc/82/62/53/959826253.db2.gz TWMBWSIFRGBCTL-CRWXNKLISA-N 1 0 236.359 2.426 20 30 BEEDRO Cc1c(C#N)ccc(O[C@@H]2C[NH2+]C[C@H]2C)c1C ZINC001218034314 959838905 /nfs/dbraw/zinc/83/89/05/959838905.db2.gz NXZFGNKWAYQDEY-YMTOWFKASA-N 1 0 230.311 2.162 20 30 BEEDRO CC(C)c1c(C#N)cccc1O[C@H]1C[NH2+][C@H]1C ZINC001218389775 960035146 /nfs/dbraw/zinc/03/51/46/960035146.db2.gz ZJYKTINPAIWUEA-GWCFXTLKSA-N 1 0 230.311 2.421 20 30 BEEDRO C#C[C@H](C)[NH2+]C[C@H](OC)C1CCCCC1 ZINC000695069754 960082292 /nfs/dbraw/zinc/08/22/92/960082292.db2.gz CYPNGXJKDMYALV-AAEUAGOBSA-N 1 0 209.333 2.193 20 30 BEEDRO C=C(C)C[N@@H+](C)CCCN(C)C(=O)C(C)(C)F ZINC001327178184 972481966 /nfs/dbraw/zinc/48/19/66/972481966.db2.gz TYCNJRNICHUQQZ-UHFFFAOYSA-N 1 0 244.354 2.091 20 30 BEEDRO C=CCCC(=O)N(C)CCC[N@@H+](C)CC(C)C ZINC001327187271 972483454 /nfs/dbraw/zinc/48/34/54/972483454.db2.gz CSWRWZRODUKXIN-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C[C@H]([NH2+]Cc1cccc(OCC#N)c1)C1CC1 ZINC000037259238 960171415 /nfs/dbraw/zinc/17/14/15/960171415.db2.gz NRJSTNKKFDRENP-NSHDSACASA-N 1 0 230.311 2.477 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)C[C@@H](C)CCC)C1 ZINC001267676414 960196395 /nfs/dbraw/zinc/19/63/95/960196395.db2.gz JNRFOQQVCWSONC-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[N@@H+](C)CCCN(C)C(=O)C(C)C ZINC001327186997 972487227 /nfs/dbraw/zinc/48/72/27/972487227.db2.gz GAUVQNAWEOSWTK-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCCCC)C1 ZINC001267737948 960259331 /nfs/dbraw/zinc/25/93/31/960259331.db2.gz JUHYMCPQIFUWKZ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCOC2CCC2)s1 ZINC000309605076 960305353 /nfs/dbraw/zinc/30/53/53/960305353.db2.gz XQRZJDYAZGOFDW-UHFFFAOYSA-N 1 0 236.340 2.278 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)C(C)C)C1 ZINC001267780173 960346945 /nfs/dbraw/zinc/34/69/45/960346945.db2.gz JSODYCHIYIRCTR-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC1(C)C ZINC001267800316 960377120 /nfs/dbraw/zinc/37/71/20/960377120.db2.gz RWASOTICBZJISY-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCCCCCN1CC2(C[NH2+]C2)C1 ZINC001222461430 972500002 /nfs/dbraw/zinc/50/00/02/972500002.db2.gz UMINCFAEILFSQU-UHFFFAOYSA-N 1 0 222.376 2.418 20 30 BEEDRO C=CC[C@H](C)C(=O)NC(C)(C)CC[NH+](C)C ZINC001144026540 972501042 /nfs/dbraw/zinc/50/10/42/972501042.db2.gz JMMAWKIKPAFPBF-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[Si](C)(C)C#C[NH2+]C1(C2CCOCC2)CC1 ZINC001167743739 960438663 /nfs/dbraw/zinc/43/86/63/960438663.db2.gz NNOYXZLPIGBBTI-UHFFFAOYSA-N 1 0 237.419 2.374 20 30 BEEDRO C=C(C)CCC(=O)N[C@@](C)(C[NH2+]CC)C1CC1 ZINC001267854077 960439048 /nfs/dbraw/zinc/43/90/48/960439048.db2.gz UHRNXNDREIRLBW-AWEZNQCLSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@H](CCCCO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695776373 960452730 /nfs/dbraw/zinc/45/27/30/960452730.db2.gz DDJYELJOFIJLSQ-NEPJUHHUSA-N 1 0 226.364 2.455 20 30 BEEDRO Cc1nnsc1C[NH2+][C@H](C)CC(C)(C)C#N ZINC000695838554 960500285 /nfs/dbraw/zinc/50/02/85/960500285.db2.gz XTDKRHRVGHYPPY-MRVPVSSYSA-N 1 0 238.360 2.265 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CCSC1 ZINC000695888903 960566172 /nfs/dbraw/zinc/56/61/72/960566172.db2.gz XHZBNHWNAPQTPA-ZJUUUORDSA-N 1 0 212.362 2.410 20 30 BEEDRO C#CC1CC[NH+](Cc2[nH]cc(C)c2C)CC1 ZINC001140861744 960639330 /nfs/dbraw/zinc/63/93/30/960639330.db2.gz NCWOXQIXZKBFFW-UHFFFAOYSA-N 1 0 216.328 2.477 20 30 BEEDRO COC1(C[N@@H+]2CCC[C@H](C#N)C2)CCCC1 ZINC000692808730 960730460 /nfs/dbraw/zinc/73/04/60/960730460.db2.gz SKRYLFIZAJUTSX-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141143515 960887780 /nfs/dbraw/zinc/88/77/80/960887780.db2.gz BVYZLQCJJVYPKY-UHFFFAOYSA-N 1 0 232.327 2.133 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccoc1 ZINC001027751157 960927364 /nfs/dbraw/zinc/92/73/64/960927364.db2.gz COKSFLRBSKHYIU-ZDUSSCGKSA-N 1 0 248.326 2.050 20 30 BEEDRO CC[NH+]1CCN(c2ccc(CCC#N)cc2)CC1 ZINC001250054389 1169783689 /nfs/dbraw/zinc/78/36/89/1169783689.db2.gz CGVVGHIZIQPNLL-UHFFFAOYSA-N 1 0 243.354 2.285 20 30 BEEDRO C=C(C)c1ccc(NC(=N)SCC[NH3+])nc1 ZINC001167914315 961099743 /nfs/dbraw/zinc/09/97/43/961099743.db2.gz TUDAPKZPXVCNJS-UHFFFAOYSA-N 1 0 236.344 2.153 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H](C)CC ZINC001268058523 961105140 /nfs/dbraw/zinc/10/51/40/961105140.db2.gz DQOUIOCVTQPPME-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+](Cc1cn2c(n1)COCC2)C(C)(C)C ZINC001141539441 961109089 /nfs/dbraw/zinc/10/90/89/961109089.db2.gz ALOIYORSEITGLV-UHFFFAOYSA-N 1 0 249.358 2.200 20 30 BEEDRO C#CC(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000692890116 961194626 /nfs/dbraw/zinc/19/46/26/961194626.db2.gz AAAHWRMDGVDCKV-UHFFFAOYSA-N 1 0 230.311 2.100 20 30 BEEDRO CO[C@@H]1CC[C@@H](C)[N@H+](CCC(C)(C)C#N)C1 ZINC000687210502 961198132 /nfs/dbraw/zinc/19/81/32/961198132.db2.gz JVIPKSPORBVMSD-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[NH+](CC)CCC[C@H](C)N(C)[C@@H](C)C#N ZINC001167842017 961237188 /nfs/dbraw/zinc/23/71/88/961237188.db2.gz VSSOFRAODZZGOZ-STQMWFEESA-N 1 0 225.380 2.341 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)C ZINC001268113480 961242980 /nfs/dbraw/zinc/24/29/80/961242980.db2.gz QCCPCAGFBASUAI-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2CCCC(C)(C)C#N ZINC000687262422 961244279 /nfs/dbraw/zinc/24/42/79/961244279.db2.gz FOSXPOAYVQEPJG-BETUJISGSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]([NH2+]CC(=C)C)C1 ZINC001207635139 961436343 /nfs/dbraw/zinc/43/63/43/961436343.db2.gz IFPSVVGSEORXIL-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO N#Cc1ccc(C(=[NH2+])N[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC001167896939 961519898 /nfs/dbraw/zinc/51/98/98/961519898.db2.gz GGYUJLWBCNRATF-CLLJXQQHSA-N 1 0 225.295 2.062 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167896346 961522158 /nfs/dbraw/zinc/52/21/58/961522158.db2.gz BHGPMZLLGLRLQD-AQAXSTTCSA-N 1 0 204.317 2.457 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC001167896351 961522775 /nfs/dbraw/zinc/52/27/75/961522775.db2.gz BHGPMZLLGLRLQD-VFDFPUOBSA-N 1 0 204.317 2.457 20 30 BEEDRO C=C/C(C)=C/CC(=O)N[C@H]1CC[N@@H+](CC(=C)C)C1 ZINC001481692383 961573194 /nfs/dbraw/zinc/57/31/94/961573194.db2.gz UUWFJVPLDASXAG-BLXFFLACSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)/C(C)=C/CC ZINC001142673676 961591393 /nfs/dbraw/zinc/59/13/93/961591393.db2.gz IXILNHJUPGWPPH-WHGQRRHOSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)CC ZINC001268345123 961633480 /nfs/dbraw/zinc/63/34/80/961633480.db2.gz LZFOVEYLZXOGOH-NWDGAFQWSA-N 1 0 226.364 2.093 20 30 BEEDRO SC1CC[NH+](Cc2cccc3[nH]cnc32)CC1 ZINC001142690657 961633232 /nfs/dbraw/zinc/63/32/32/961633232.db2.gz ZGMWRGHTPJJYSO-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C=C(C)C ZINC001268344275 961635235 /nfs/dbraw/zinc/63/52/35/961635235.db2.gz XIIYHZKDAPFMHD-LLVKDONJSA-N 1 0 244.766 2.190 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CC[NH2+]CC1CC1 ZINC001268392932 961717298 /nfs/dbraw/zinc/71/72/98/961717298.db2.gz SUYXCVJCZCBRNY-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@@H](C)CC[NH2+]CCF ZINC001268401936 961730148 /nfs/dbraw/zinc/73/01/48/961730148.db2.gz DLCXFRMZQMSPLW-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO C#CCCCCC(=O)N(CC)CC[NH2+]C(C)C ZINC001268445502 961778446 /nfs/dbraw/zinc/77/84/46/961778446.db2.gz PJWSGKXSLHPRSS-UHFFFAOYSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)CCCC ZINC001481790628 961829276 /nfs/dbraw/zinc/82/92/76/961829276.db2.gz OZALBXQAIZCBJP-NSHDSACASA-N 1 0 246.782 2.414 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)C1(C)CC=CC1 ZINC001481847349 961844187 /nfs/dbraw/zinc/84/41/87/961844187.db2.gz DBKWTTGNABUGOD-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO SC1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC001143097150 961877672 /nfs/dbraw/zinc/87/76/72/961877672.db2.gz RBUUAVQHGZGJTL-UHFFFAOYSA-N 1 0 247.367 2.457 20 30 BEEDRO C=C(C)C[NH2+]CCC1CCN(C(=O)CC)CC1 ZINC001481991409 961893050 /nfs/dbraw/zinc/89/30/50/961893050.db2.gz DXXWHZRVDXHGTK-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C#CCCCCC[N@H+]1C[C@H](O)CC[C@H]1C ZINC000686680287 961943206 /nfs/dbraw/zinc/94/32/06/961943206.db2.gz KHTBMSSVRPDPAG-CHWSQXEVSA-N 1 0 209.333 2.025 20 30 BEEDRO C#CC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000843426941 962008977 /nfs/dbraw/zinc/00/89/77/962008977.db2.gz NQXPUXNZGLQYKP-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H](C)C[NH2+]C(C)C ZINC001482130026 962045778 /nfs/dbraw/zinc/04/57/78/962045778.db2.gz NJVPBOZGTCMMCA-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)c1ccc(C)c(C)c1 ZINC001149717858 962121574 /nfs/dbraw/zinc/12/15/74/962121574.db2.gz XOOGKHYZIDSGJG-UHFFFAOYSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CC[NH2+]CCNC(=O)C[C@@H](C)c1ccccc1 ZINC001149980042 962141992 /nfs/dbraw/zinc/14/19/92/962141992.db2.gz DGSYFDDGHZHLBR-CYBMUJFWSA-N 1 0 246.354 2.072 20 30 BEEDRO C=CC[NH2+]CCNC(=O)c1c(C)cc(C)cc1C ZINC001150164408 962148150 /nfs/dbraw/zinc/14/81/50/962148150.db2.gz WTEUNZQXROXBTC-UHFFFAOYSA-N 1 0 246.354 2.117 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)/C(C)=C\CC ZINC001268639753 962230958 /nfs/dbraw/zinc/23/09/58/962230958.db2.gz NDPRFBXXFJPSPN-KIWPFMIBSA-N 1 0 238.375 2.403 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)C[NH2+]C(C)C ZINC001268646775 962238545 /nfs/dbraw/zinc/23/85/45/962238545.db2.gz MKGJRXZRJDYKAV-LLVKDONJSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C ZINC001268669583 962261366 /nfs/dbraw/zinc/26/13/66/962261366.db2.gz OUHDPDHSRLTFFJ-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)CC1CC1 ZINC001268677127 962265959 /nfs/dbraw/zinc/26/59/59/962265959.db2.gz PKNXNWYKVDEVIX-RYUDHWBXSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC001268710475 962308646 /nfs/dbraw/zinc/30/86/46/962308646.db2.gz JJIPDCROOVPRBX-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@H](C)NC(=O)/C=C(\C)CC ZINC001268731186 962322335 /nfs/dbraw/zinc/32/23/35/962322335.db2.gz ZFKIVFBHNITXDT-RSKUSDAESA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)C(C)=C2CCCC2)C1 ZINC001268818444 962346946 /nfs/dbraw/zinc/34/69/46/962346946.db2.gz LWRZYGHTQZSXIY-UHFFFAOYSA-N 1 0 248.370 2.111 20 30 BEEDRO CC#CC[N@@H+](CC)[C@H](C)CNC(=O)CCCC ZINC001151925487 962357136 /nfs/dbraw/zinc/35/71/36/962357136.db2.gz QBLFNAXVMHPWLD-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C[C@@H](C)CC)C1CC1 ZINC001269066799 962439665 /nfs/dbraw/zinc/43/96/65/962439665.db2.gz MFDZGQRYBZEGON-AAEUAGOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C[NH2+]CCC)C1CC1 ZINC001269074531 962440854 /nfs/dbraw/zinc/44/08/54/962440854.db2.gz BZCSPXTWLUYJCU-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C[NH2+]CCC)C1CC1 ZINC001269074530 962443517 /nfs/dbraw/zinc/44/35/17/962443517.db2.gz BZCSPXTWLUYJCU-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[N@H+]1CC[C@@H](NC(=O)[C@H](C)CC)C1 ZINC001269108075 962459546 /nfs/dbraw/zinc/45/95/46/962459546.db2.gz FTQCOSSAWMFVBA-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]CCNC(=O)c1cccc(C2CC2)c1 ZINC001152721116 962469366 /nfs/dbraw/zinc/46/93/66/962469366.db2.gz CBFFNUJNWSBJIF-UHFFFAOYSA-N 1 0 244.338 2.069 20 30 BEEDRO C=CC[NH2+]CCNC(=O)CCCC1CCCC1 ZINC001152677747 962470915 /nfs/dbraw/zinc/47/09/15/962470915.db2.gz XRHSAYMCFKJSLA-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H](C)CC ZINC001153007426 962515408 /nfs/dbraw/zinc/51/54/08/962515408.db2.gz QLCGIXGTTKACOK-QWHCGFSZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)CCC)C1 ZINC001269227311 962553952 /nfs/dbraw/zinc/55/39/52/962553952.db2.gz KDHMSGVPBUYWOA-OLZOCXBDSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)C[C@@H]1C=CCC1 ZINC001269366992 962630359 /nfs/dbraw/zinc/63/03/59/962630359.db2.gz YJNVSWZOEFTILQ-CHWSQXEVSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H](C)CCC ZINC001269378714 962636774 /nfs/dbraw/zinc/63/67/74/962636774.db2.gz ULRVQTGLXNHLAP-QWHCGFSZSA-N 1 0 240.391 2.483 20 30 BEEDRO COc1cccnc1CN1CCC[C@H](C#N)CC1 ZINC001206650678 962647594 /nfs/dbraw/zinc/64/75/94/962647594.db2.gz UNWYQJKSWOUFFY-LBPRGKRZSA-N 1 0 245.326 2.216 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@H](CC)[NH2+]C(C)C ZINC001269407392 962654640 /nfs/dbraw/zinc/65/46/40/962654640.db2.gz DFGXKENTBLXHMJ-LBPRGKRZSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCCNC(=O)CC1CC1 ZINC001154094202 962708825 /nfs/dbraw/zinc/70/88/25/962708825.db2.gz SJCTVINBUUVKQY-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)C1CCCC1 ZINC001154105070 962713196 /nfs/dbraw/zinc/71/31/96/962713196.db2.gz LUUPNDPVDGOCME-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)CC(C)C ZINC001154239651 962742289 /nfs/dbraw/zinc/74/22/89/962742289.db2.gz UZGGAJFUOQUFOV-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO CC(C)[N@H+]([C@H]1CC[C@@H](C#N)C1)C(C)(C)CN ZINC001254653728 1169814514 /nfs/dbraw/zinc/81/45/14/1169814514.db2.gz PQGXKJKERDZLMG-NEPJUHHUSA-N 1 0 223.364 2.126 20 30 BEEDRO CC(C)(C)[NH+]1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668533 1169815447 /nfs/dbraw/zinc/81/54/47/1169815447.db2.gz IMOMFQCYUMNMHS-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCC(C)C ZINC001154459973 962781598 /nfs/dbraw/zinc/78/15/98/962781598.db2.gz GQYYRRBCNCRDQW-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[N@@H+](CC)CCC ZINC001154605741 962805487 /nfs/dbraw/zinc/80/54/87/962805487.db2.gz PJWRTGPKROXUGZ-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](F)CC ZINC001154639213 962825797 /nfs/dbraw/zinc/82/57/97/962825797.db2.gz DDULUZXULXQLBT-NEPJUHHUSA-N 1 0 244.354 2.137 20 30 BEEDRO Cc1ccc([C@@H](CO)[NH2+][C@@H]2CC[C@@H](C#N)C2)cc1 ZINC001254652928 1169814136 /nfs/dbraw/zinc/81/41/36/1169814136.db2.gz IISKSHPJRAHOFX-BPLDGKMQSA-N 1 0 244.338 2.310 20 30 BEEDRO C=CCC[N@@H+](CC)[C@H](C)CNC(=O)CCCF ZINC001154652455 962830303 /nfs/dbraw/zinc/83/03/03/962830303.db2.gz UMIZBTDXLPNFIP-GFCCVEGCSA-N 1 0 244.354 2.139 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCCC ZINC001154717292 962836783 /nfs/dbraw/zinc/83/67/83/962836783.db2.gz IICCQUBVWVLJEZ-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)[C@@H](C)CC ZINC001154781834 962846907 /nfs/dbraw/zinc/84/69/07/962846907.db2.gz OJGCMHCQDBEYOF-LBPRGKRZSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)C1CC1 ZINC001482269020 962884752 /nfs/dbraw/zinc/88/47/52/962884752.db2.gz MMUGXHAQHCJNOA-NWDGAFQWSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21 ZINC000712467575 962903931 /nfs/dbraw/zinc/90/39/31/962903931.db2.gz MSAWLRKTCMGYTQ-KKUMJFAQSA-N 1 0 234.387 2.110 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@@H]1C[NH2+]CCC ZINC001270215519 962906778 /nfs/dbraw/zinc/90/67/78/962906778.db2.gz LANGJRGYFOEWPL-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO Cc1nc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1CC#N ZINC001154988724 962931910 /nfs/dbraw/zinc/93/19/10/962931910.db2.gz RMXMCVZBYLJQRU-STQMWFEESA-N 1 0 244.342 2.138 20 30 BEEDRO C=CC[NH2+][C@H]1CCc2cc(F)ccc2C1 ZINC001168406800 962937671 /nfs/dbraw/zinc/93/76/71/962937671.db2.gz JGGKPRICALZIIR-ZDUSSCGKSA-N 1 0 205.276 2.459 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)C1(C)CCC1 ZINC001270478082 962990956 /nfs/dbraw/zinc/99/09/56/962990956.db2.gz LGNDNUUDXVUICR-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCCNC(=O)[C@@H](C)CC[NH+](C)C ZINC001155159543 962994195 /nfs/dbraw/zinc/99/41/95/962994195.db2.gz UDBUZFBRLIQOIW-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)/C(C)=C/CC)C1 ZINC001270549193 963011168 /nfs/dbraw/zinc/01/11/68/963011168.db2.gz NWVIDYUVRPEFDV-WEKMIXOTSA-N 1 0 236.359 2.109 20 30 BEEDRO CC(C)(C)[NH+]1CCN([C@H]2CC[C@@H](C#N)C2)CC1 ZINC001254668537 1169816924 /nfs/dbraw/zinc/81/69/24/1169816924.db2.gz IMOMFQCYUMNMHS-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880130046 963047534 /nfs/dbraw/zinc/04/75/34/963047534.db2.gz BUFXIZXEVSIRRA-CHWSQXEVSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C1CCCCCC1 ZINC001155565023 963109539 /nfs/dbraw/zinc/10/95/39/963109539.db2.gz WQORYXVVPGFURJ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO COCC[N@H+](C(C)C)[C@H]1CC[C@H](C#N)C1 ZINC001254670085 1169819300 /nfs/dbraw/zinc/81/93/00/1169819300.db2.gz YWWHQXMYDZAIGG-RYUDHWBXSA-N 1 0 210.321 2.035 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@H](C)C[NH2+]CC ZINC001482327500 963134019 /nfs/dbraw/zinc/13/40/19/963134019.db2.gz LMVALJMROMYKHL-DGCLKSJQSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CNc1cc(N2CCCCC2)ncn1 ZINC001155660304 963144907 /nfs/dbraw/zinc/14/49/07/963144907.db2.gz CHZNLGZSJOWVEY-UHFFFAOYSA-N 1 0 232.331 2.455 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CCC1CC1 ZINC001155964339 963218653 /nfs/dbraw/zinc/21/86/53/963218653.db2.gz DZSXZWSNFBOKDZ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)N(C)C(=O)CCC ZINC001270876904 963235631 /nfs/dbraw/zinc/23/56/31/963235631.db2.gz AYEOUOXIFQIRJX-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[C@H](C(=O)OC)[NH+]1CCC(C(C)C)CC1 ZINC001307471976 963288675 /nfs/dbraw/zinc/28/86/75/963288675.db2.gz KMSCGROJQWBOGC-CYBMUJFWSA-N 1 0 239.359 2.472 20 30 BEEDRO C#CCCC[N@H+]1CCCC[C@H](COC)C1 ZINC000696610885 963290741 /nfs/dbraw/zinc/29/07/41/963290741.db2.gz RETXOXJIXOENNB-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)CC)C1 ZINC001270932867 963303482 /nfs/dbraw/zinc/30/34/82/963303482.db2.gz PONFRPZLQITMKN-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)[C@@H](C)CC[NH+](C)C ZINC001156300151 963305674 /nfs/dbraw/zinc/30/56/74/963305674.db2.gz IHAFABBIFLHLGN-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H](C)C[NH2+]CCC ZINC001271083549 963351108 /nfs/dbraw/zinc/35/11/08/963351108.db2.gz QZHXIYWWDQVNDI-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C=C1CCC1 ZINC001156460602 963361711 /nfs/dbraw/zinc/36/17/11/963361711.db2.gz GBXHYVHVOJAJNN-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=CC[N@@H+](CC)[C@H](C)CNC(=O)C(C)(C)C ZINC001156541196 963378288 /nfs/dbraw/zinc/37/82/88/963378288.db2.gz PIQLWTTXEYHXNW-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2ccnn2C2CCC2)C1 ZINC000895563088 963434050 /nfs/dbraw/zinc/43/40/50/963434050.db2.gz TUEVMBIAOWRFTQ-ZDUSSCGKSA-N 1 0 243.354 2.453 20 30 BEEDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1C#N ZINC001227022714 963434577 /nfs/dbraw/zinc/43/45/77/963434577.db2.gz WOPWESXUJHLXPZ-SNVBAGLBSA-N 1 0 237.298 2.171 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)[C@H](C)CCCC ZINC001126560997 963456864 /nfs/dbraw/zinc/45/68/64/963456864.db2.gz NPVKKRHEXSECSZ-GFCCVEGCSA-N 1 0 226.364 2.095 20 30 BEEDRO C#CCCCCC(=O)NCCC[NH2+]CCCC ZINC001156827593 963470237 /nfs/dbraw/zinc/47/02/37/963470237.db2.gz DTAZHGXZJFKKNH-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)C1=CCCCCC1 ZINC001157048930 963516205 /nfs/dbraw/zinc/51/62/05/963516205.db2.gz RCGXGYBHCATJEL-UHFFFAOYSA-N 1 0 236.359 2.159 20 30 BEEDRO C=C(C)CC[NH2+]CCCNC(=O)C[C@@H](C)CC ZINC001157140969 963542972 /nfs/dbraw/zinc/54/29/72/963542972.db2.gz MFWAZROTXDMSAX-ZDUSSCGKSA-N 1 0 240.391 2.485 20 30 BEEDRO C=C(C)C(=O)OCCNc1[nH+]ccc2[nH]ccc21 ZINC001157304071 963572441 /nfs/dbraw/zinc/57/24/41/963572441.db2.gz BLTXEJKJRIWWEP-UHFFFAOYSA-N 1 0 245.282 2.094 20 30 BEEDRO C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C(C)C ZINC001271690738 963584233 /nfs/dbraw/zinc/58/42/33/963584233.db2.gz ZMTBHVHSWPRNTO-OLZOCXBDSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCCCCN(C(C)=O)C1 ZINC001088241112 963586789 /nfs/dbraw/zinc/58/67/89/963586789.db2.gz PSRXRMIKGIBBPR-LBPRGKRZSA-N 1 0 244.766 2.120 20 30 BEEDRO Cc1cc(C#N)c(NC2(C)CC[NH2+]CC2)nc1C ZINC001157401929 963596927 /nfs/dbraw/zinc/59/69/27/963596927.db2.gz YJHVHZVNLORGGT-UHFFFAOYSA-N 1 0 244.342 2.124 20 30 BEEDRO [NH2+]=C(NCc1ccc(F)cc1)N1CCCCC1 ZINC000303718517 963600609 /nfs/dbraw/zinc/60/06/09/963600609.db2.gz VCABLXHFXDCCQM-UHFFFAOYSA-N 1 0 235.306 2.126 20 30 BEEDRO C=CC[NH2+][C@H]1CCCCCN(C(=O)C(C)C)C1 ZINC001088266202 963615708 /nfs/dbraw/zinc/61/57/08/963615708.db2.gz WLNQVTVBBMOERA-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@H](CNC(=O)C1CCCC1)C(C)C ZINC001271797468 963640861 /nfs/dbraw/zinc/64/08/61/963640861.db2.gz ATLUWNLUINOVHG-CYBMUJFWSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC(C)(C)C1CC1 ZINC001157526835 963642816 /nfs/dbraw/zinc/64/28/16/963642816.db2.gz VPASWMPICCWGFK-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)/C=C(\C)CC ZINC001157605114 963673795 /nfs/dbraw/zinc/67/37/95/963673795.db2.gz XRJLQDMLEIAERE-VAWYXSNFSA-N 1 0 224.348 2.015 20 30 BEEDRO C#CCC1([NH2+]C[C@@H](C)CCC#N)CCC1 ZINC000897351178 963675548 /nfs/dbraw/zinc/67/55/48/963675548.db2.gz VOXBBBNZALZUBD-LBPRGKRZSA-N 1 0 204.317 2.462 20 30 BEEDRO C=CCCC[N@@H+](C)CCN(C)C(=O)[C@H](C)CC ZINC001271963272 963708716 /nfs/dbraw/zinc/70/87/16/963708716.db2.gz SYNIOJIGQSJFKV-CYBMUJFWSA-N 1 0 240.391 2.389 20 30 BEEDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ncccc1C#N ZINC001157795067 963729017 /nfs/dbraw/zinc/72/90/17/963729017.db2.gz DKQMUUXPLJCOQJ-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2c(cccc2OC)C1 ZINC001256637954 1169829942 /nfs/dbraw/zinc/82/99/42/1169829942.db2.gz UIYLASXQRPOCBP-CYBMUJFWSA-N 1 0 229.323 2.165 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccco2)[C@H]1C ZINC001088448327 963798907 /nfs/dbraw/zinc/79/89/07/963798907.db2.gz DBOYSUBTFVRTFQ-NEPJUHHUSA-N 1 0 248.326 2.048 20 30 BEEDRO C[C@@H]1C[C@@H]([N@H+]2[C@@H]3CC[C@H]2C[C@H](C#N)C3)CCO1 ZINC001168130132 963814268 /nfs/dbraw/zinc/81/42/68/963814268.db2.gz CPHBSOXJMSSRPE-POQQGIQPSA-N 1 0 234.343 2.320 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cnc2ccccc2c1 ZINC000321020429 963867647 /nfs/dbraw/zinc/86/76/47/963867647.db2.gz OBHRIHCCGJOBMZ-CQSZACIVSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C(Cl)C(C)(C)C(=O)NCCC[NH2+]CCC ZINC001158850117 963940721 /nfs/dbraw/zinc/94/07/21/963940721.db2.gz QOKYSOBNAFYBQW-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CC(C)(C)CC(=O)NCCC[NH2+]CC(C)C ZINC001158894377 963955434 /nfs/dbraw/zinc/95/54/34/963955434.db2.gz INCUBQDMSYESBN-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)CCC(=O)NCCC[NH2+]CCCC ZINC001159032469 963981053 /nfs/dbraw/zinc/98/10/53/963981053.db2.gz HDCMSEBWSLNKEJ-UHFFFAOYSA-N 1 0 226.364 2.239 20 30 BEEDRO N#Cc1c(NC2=CC[NH2+]C2)sc2c1CCCC2 ZINC001159112997 964003623 /nfs/dbraw/zinc/00/36/23/964003623.db2.gz JTWGXAHMNMUWPZ-UHFFFAOYSA-N 1 0 245.351 2.398 20 30 BEEDRO N#CCCc1ccc(N[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001168226942 964007173 /nfs/dbraw/zinc/00/71/73/964007173.db2.gz QQTGYJCGXIWVHO-KGLIPLIRSA-N 1 0 247.317 2.255 20 30 BEEDRO COc1ccc2c(c1)C[C@@H]([NH2+]CCCCC#N)C2 ZINC001168236410 964015332 /nfs/dbraw/zinc/01/53/32/964015332.db2.gz WMTWJNZEFAHBLG-AWEZNQCLSA-N 1 0 244.338 2.446 20 30 BEEDRO CC(C)(S)CNc1nccc(NC2CC2)n1 ZINC001159263917 964044957 /nfs/dbraw/zinc/04/49/57/964044957.db2.gz IJESRWXGJXCQGG-UHFFFAOYSA-N 1 0 238.360 2.171 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1Cc2ccc(OC)cc2C1 ZINC001168242275 964045401 /nfs/dbraw/zinc/04/54/01/964045401.db2.gz XPAVVBWAQUFDJJ-KGLIPLIRSA-N 1 0 244.338 2.444 20 30 BEEDRO C[NH+](C)Cc1ccnc(NCC(C)(C)S)c1 ZINC001159269278 964047178 /nfs/dbraw/zinc/04/71/78/964047178.db2.gz IGRVNKSJJSVKFC-UHFFFAOYSA-N 1 0 239.388 2.264 20 30 BEEDRO N#Cc1ccccc1NC=CC1CC[NH2+]CC1 ZINC001159477740 964108755 /nfs/dbraw/zinc/10/87/55/964108755.db2.gz PWMWYSTXQUGQSY-JXMROGBWSA-N 1 0 227.311 2.483 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@H](C#N)C1 ZINC000300457255 964158222 /nfs/dbraw/zinc/15/82/22/964158222.db2.gz HHROIAYQIMVQNX-ZIAGYGMSSA-N 1 0 235.375 2.096 20 30 BEEDRO Cc1c(Cl)c(C#N)ccc1NC1=CC[NH2+]C1 ZINC001159828980 964208428 /nfs/dbraw/zinc/20/84/28/964208428.db2.gz NAMURBADSFGQRE-UHFFFAOYSA-N 1 0 233.702 2.419 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)CC[NH2+]CCF ZINC001482859772 964220950 /nfs/dbraw/zinc/22/09/50/964220950.db2.gz AKZKIARRHOQZJL-LLVKDONJSA-N 1 0 244.354 2.043 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)C(C)(CC)CC ZINC001482900177 964233197 /nfs/dbraw/zinc/23/31/97/964233197.db2.gz DDOAFRDZSRWNFM-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)/C=C\C(C)(C)C ZINC001482913909 964237550 /nfs/dbraw/zinc/23/75/50/964237550.db2.gz FYJVMQYMWFPMDA-HJWRWDBZSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C)Nc1cc(F)ccc1N1CC[NH2+]CC1 ZINC001160046882 964244784 /nfs/dbraw/zinc/24/47/84/964244784.db2.gz LPBMXKDALRLPQQ-UHFFFAOYSA-N 1 0 235.306 2.181 20 30 BEEDRO Cc1cc(C#N)c(NC2=CCC[NH2+]C2)cc1F ZINC001160247162 964272487 /nfs/dbraw/zinc/27/24/87/964272487.db2.gz ZBTAHWKQJAJZJM-UHFFFAOYSA-N 1 0 231.274 2.295 20 30 BEEDRO Cc1cc(C#N)c(NC2=CC[NH2+]C2)cc1Cl ZINC001160235357 964272875 /nfs/dbraw/zinc/27/28/75/964272875.db2.gz LMEKBTDLORVXEG-UHFFFAOYSA-N 1 0 233.702 2.419 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)C(C)C ZINC001482982143 964276878 /nfs/dbraw/zinc/27/68/78/964276878.db2.gz WNBUNZGPLIIPKN-WSROAFLRSA-N 1 0 238.375 2.259 20 30 BEEDRO C[C@H]([NH3+])c1ccc(NC(=N)c2nccs2)cc1 ZINC001168280485 964326060 /nfs/dbraw/zinc/32/60/60/964326060.db2.gz HKEKOTNAFGNFKC-QMMMGPOBSA-N 1 0 246.339 2.200 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](CC(C)C)[NH2+]C ZINC001160689365 964391180 /nfs/dbraw/zinc/39/11/80/964391180.db2.gz MQVKAHMNWSWBKD-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@H](C)C(CC)CC ZINC001161440028 964602144 /nfs/dbraw/zinc/60/21/44/964602144.db2.gz YCHMUDMLUBQMGP-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO N#CCO[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC001224382046 964611032 /nfs/dbraw/zinc/61/10/32/964611032.db2.gz QADYUXOHVDOSGX-ZDUSSCGKSA-N 1 0 248.301 2.330 20 30 BEEDRO C[C@@H](CCNCc1ccc(C#N)s1)[NH+](C)C ZINC000697911209 964677170 /nfs/dbraw/zinc/67/71/70/964677170.db2.gz YGTFBBNUNWCCLU-JTQLQIEISA-N 1 0 237.372 2.050 20 30 BEEDRO CC(C)(C)C#CCNC1CC[NH+](CC2CC2)CC1 ZINC001168363384 964679039 /nfs/dbraw/zinc/67/90/39/964679039.db2.gz ZNACJIUOYHDCKL-UHFFFAOYSA-N 1 0 248.414 2.500 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C1(C)CC1 ZINC001483130420 964738615 /nfs/dbraw/zinc/73/86/15/964738615.db2.gz OTITZAPZSQYAGY-VXGBXAGGSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C(C)C ZINC001483130855 964742058 /nfs/dbraw/zinc/74/20/58/964742058.db2.gz DDHQKRMKDZAWJZ-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)C1(CC)CCC1 ZINC001483160454 964793089 /nfs/dbraw/zinc/79/30/89/964793089.db2.gz WODOVJPZZOWTGP-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO COC(=O)CCCC[NH2+]C1CCC(C#N)CC1 ZINC001256959623 1169848184 /nfs/dbraw/zinc/84/81/84/1169848184.db2.gz NJRNMRWTRQPQAZ-UHFFFAOYSA-N 1 0 238.331 2.002 20 30 BEEDRO CC(C)(O)C(C)(C)[NH2+]C1CCC(C#N)CC1 ZINC001256960298 1169850336 /nfs/dbraw/zinc/85/03/36/1169850336.db2.gz QWGARQZYJNVYFU-UHFFFAOYSA-N 1 0 224.348 2.208 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CSC2)s1 ZINC000697968272 964804017 /nfs/dbraw/zinc/80/40/17/964804017.db2.gz MBUSMKBZGGGCCG-UHFFFAOYSA-N 1 0 224.354 2.072 20 30 BEEDRO CC(C)(C)N1CC([NH2+]C2CCC(C#N)CC2)C1 ZINC001256962743 1169850452 /nfs/dbraw/zinc/85/04/52/1169850452.db2.gz VZBPVQNMGFGFIB-UHFFFAOYSA-N 1 0 235.375 2.141 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C(CC)CC ZINC001483210712 964831871 /nfs/dbraw/zinc/83/18/71/964831871.db2.gz VVOVWZDCCGWTEI-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO Cc1cc(C)nc(NC2(C#N)CC[NH+](C)CC2)c1 ZINC001162225076 964879843 /nfs/dbraw/zinc/87/98/43/964879843.db2.gz DBGPNVQCEIOCTQ-UHFFFAOYSA-N 1 0 244.342 2.098 20 30 BEEDRO C#C[C@H](OCC[N+](C)(C)C)c1ccccc1 ZINC001224773143 964936402 /nfs/dbraw/zinc/93/64/02/964936402.db2.gz FDBGFTDKNWIWCF-AWEZNQCLSA-N 1 0 218.320 2.084 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H](C)C(C)C ZINC001483271129 964951817 /nfs/dbraw/zinc/95/18/17/964951817.db2.gz NWAKZTPTGBIXTI-QWHCGFSZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC001483334928 964978219 /nfs/dbraw/zinc/97/82/19/964978219.db2.gz KJODWECCQGJVGW-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](F)CC ZINC001483373232 964994255 /nfs/dbraw/zinc/99/42/55/964994255.db2.gz YBHKLPITFVNYQY-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CO[C@@H](C#N)c1ccccc1 ZINC001224820415 964995569 /nfs/dbraw/zinc/99/55/69/964995569.db2.gz WMMSHTUZGWDHNR-KBPBESRZSA-N 1 0 230.311 2.362 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)C[N@@H+](C)CCC ZINC001483381413 964997830 /nfs/dbraw/zinc/99/78/30/964997830.db2.gz YKHYVEXBWXXVGU-TZMCWYRMSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC ZINC001483430318 965009153 /nfs/dbraw/zinc/00/91/53/965009153.db2.gz MDWOAJCISIWTRN-STQMWFEESA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](NC(=O)C=C1CCC1)C1CC1 ZINC001483552826 965038036 /nfs/dbraw/zinc/03/80/36/965038036.db2.gz HHIGIXPZOBEALT-CQSZACIVSA-N 1 0 248.370 2.157 20 30 BEEDRO C[C@@H]1C[C@@H](CNc2cc(F)cc(CC#N)c2)C[NH2+]1 ZINC001162558675 965046904 /nfs/dbraw/zinc/04/69/04/965046904.db2.gz FEEKFUPIXUWEEL-ZYHUDNBSSA-N 1 0 247.317 2.302 20 30 BEEDRO COC(CC[NH2+][C@@H](C)c1ccc(C#N)cc1)OC ZINC000686616057 965050085 /nfs/dbraw/zinc/05/00/85/965050085.db2.gz PIINUSIPVBOFRE-NSHDSACASA-N 1 0 248.326 2.218 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001105761130 965120152 /nfs/dbraw/zinc/12/01/52/965120152.db2.gz JKFCUXBFGJUNIT-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC[NH2+]CCCNC(=O)CC1(C)CC1 ZINC001162780719 965160782 /nfs/dbraw/zinc/16/07/82/965160782.db2.gz ZPCVUUHTRAOEDJ-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CCCSCCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000696088810 965236842 /nfs/dbraw/zinc/23/68/42/965236842.db2.gz CKWXASKSMGWGEE-VXGBXAGGSA-N 1 0 228.405 2.026 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H](COC)C(C)C ZINC000721735008 965249689 /nfs/dbraw/zinc/24/96/89/965249689.db2.gz TYYNASQQZNIMJH-QWHCGFSZSA-N 1 0 226.364 2.387 20 30 BEEDRO C#Cc1cccc(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001231660228 965275584 /nfs/dbraw/zinc/27/55/84/965275584.db2.gz ABZKMEYDZKWUHD-INIZCTEOSA-N 1 0 241.334 2.279 20 30 BEEDRO N#CCNc1ccc(SC2CC[NH2+]CC2)cc1 ZINC001163187662 965292441 /nfs/dbraw/zinc/29/24/41/965292441.db2.gz RMSQIEQSIZJYSG-UHFFFAOYSA-N 1 0 247.367 2.466 20 30 BEEDRO C=CC[NH2+]CC1(CCNC(=O)CC(C)C)CC1 ZINC001163202728 965299328 /nfs/dbraw/zinc/29/93/28/965299328.db2.gz XUDWNCXGCPLTFT-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CC(C)c1ccc(C#N)c(NCC2([NH3+])CCC2)n1 ZINC001163321957 965328774 /nfs/dbraw/zinc/32/87/74/965328774.db2.gz MSMAJNDYJPGPGH-UHFFFAOYSA-N 1 0 244.342 2.370 20 30 BEEDRO C#CCNc1cccc2c1C1(C=C2)CC[NH2+]CC1 ZINC001163366851 965368011 /nfs/dbraw/zinc/36/80/11/965368011.db2.gz KPYPXKVRMYNHPZ-UHFFFAOYSA-N 1 0 238.334 2.380 20 30 BEEDRO C=C(C)CNc1ccc2[nH]c(N)[nH+]c2c1 ZINC001163378902 965384713 /nfs/dbraw/zinc/38/47/13/965384713.db2.gz WZLHAVBMOBOIDP-UHFFFAOYSA-N 1 0 202.261 2.133 20 30 BEEDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(C#N)c1 ZINC001232962935 965445375 /nfs/dbraw/zinc/44/53/75/965445375.db2.gz UYVYPHZUWKYIFY-CYBMUJFWSA-N 1 0 244.338 2.071 20 30 BEEDRO Cc1cc(NC2CC2)nc(NCCCCC#N)[nH+]1 ZINC001168427968 965466362 /nfs/dbraw/zinc/46/63/62/965466362.db2.gz QMHGTAMQXFPJCT-UHFFFAOYSA-N 1 0 245.330 2.465 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1CCC ZINC001483683925 965474612 /nfs/dbraw/zinc/47/46/12/965474612.db2.gz PVXGDINDNYZQDT-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCC[NH2+]CC[C@H]1CCN(C(=O)C(C)C)C1 ZINC001272359092 965546494 /nfs/dbraw/zinc/54/64/94/965546494.db2.gz KFIVDFNIWRDMOA-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(=O)C=C(C)Nc1ccc([C@@H]2CCC[NH2+]2)cn1 ZINC001163733696 965548714 /nfs/dbraw/zinc/54/87/14/965548714.db2.gz XWWLBWTYSJQWKD-KJJQSCHISA-N 1 0 245.326 2.411 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)c2ccccc2C)CC1 ZINC001483712302 965569503 /nfs/dbraw/zinc/56/95/03/965569503.db2.gz GHJATFHULFYXLG-UHFFFAOYSA-N 1 0 244.338 2.033 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1ccc(CS)cc1 ZINC001163782864 965570256 /nfs/dbraw/zinc/57/02/56/965570256.db2.gz SJSMUMFWRARDSV-SNVBAGLBSA-N 1 0 224.373 2.478 20 30 BEEDRO C=CCCC(=O)NCCC1(C[NH2+]CCC)CC1 ZINC001163752431 965570555 /nfs/dbraw/zinc/57/05/55/965570555.db2.gz TYZDXBCQZWJNBK-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C(C)c1ccc(N[C@@H](C)C[NH+](C)C)nc1 ZINC001163778681 965587427 /nfs/dbraw/zinc/58/74/27/965587427.db2.gz KBWIJPUQNGECQB-NSHDSACASA-N 1 0 219.332 2.477 20 30 BEEDRO C[C@@H](C[NH+](C)C)Nc1ccc2c(c1)CC/C2=N/O ZINC001163783110 965589489 /nfs/dbraw/zinc/58/94/89/965589489.db2.gz YMJZQOYHOMUDNH-MKPGZACHSA-N 1 0 247.342 2.173 20 30 BEEDRO C=CCN1C[C@]2(CC1=O)CCCC[N@H+]2CCC ZINC001272453304 965612363 /nfs/dbraw/zinc/61/23/63/965612363.db2.gz NBFLVTBKKKIBAW-CQSZACIVSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CC(C)(C)C(=O)NCCC[NH2+]C[C@@H](F)CC ZINC001163953425 965658198 /nfs/dbraw/zinc/65/81/98/965658198.db2.gz QYTJPGBCSOUAAV-NSHDSACASA-N 1 0 244.354 2.043 20 30 BEEDRO CCCNC(=[NH2+])NCCc1ccc(CC)cc1 ZINC000267388783 965700925 /nfs/dbraw/zinc/70/09/25/965700925.db2.gz CLIVWYUGOQODDJ-UHFFFAOYSA-N 1 0 233.359 2.106 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H](CC[NH2+]CC)C1 ZINC001272545683 965738448 /nfs/dbraw/zinc/73/84/48/965738448.db2.gz OLKQZHADGPBGBJ-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C/C(C)=C/CC(=O)NCCC[NH2+]CC(=C)C ZINC001164133802 965753687 /nfs/dbraw/zinc/75/36/87/965753687.db2.gz QLJDJTWYTHPVBB-NTUHNPAUSA-N 1 0 236.359 2.181 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001122100470 965766288 /nfs/dbraw/zinc/76/62/88/965766288.db2.gz ROBTWRKZLSOWCC-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO CC#CCCCC(=O)NCCC[NH2+]CCCC ZINC001164251046 965809018 /nfs/dbraw/zinc/80/90/18/965809018.db2.gz CMNBDYXQAWUFKT-UHFFFAOYSA-N 1 0 238.375 2.076 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)C(C)(C)C1CC1 ZINC001164373147 965864461 /nfs/dbraw/zinc/86/44/61/965864461.db2.gz CRWHTBYBUWYCBN-UHFFFAOYSA-N 1 0 238.375 2.095 20 30 BEEDRO CC[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000699439702 965869775 /nfs/dbraw/zinc/86/97/75/965869775.db2.gz SUPLFUNIPSXUFZ-BXUZGUMPSA-N 1 0 248.301 2.212 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1COC[C@H]1CC ZINC000699459226 965882583 /nfs/dbraw/zinc/88/25/83/965882583.db2.gz JAURXWBZUABNBR-VXGBXAGGSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)[C@@H]1CCCC[C@H]1C ZINC001165399545 966097244 /nfs/dbraw/zinc/09/72/44/966097244.db2.gz HEGQQPZRZSRCPB-CHWSQXEVSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCC(=O)NCCC[NH2+]CCC(C)C ZINC001165535106 966130239 /nfs/dbraw/zinc/13/02/39/966130239.db2.gz APEWUEUEGFWAHX-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO C#C[C@@H]1CCC[C@H]1OCC[NH+]1CCCCC1 ZINC001206709509 966158992 /nfs/dbraw/zinc/15/89/92/966158992.db2.gz MYCVZNDFDMIRBY-ZIAGYGMSSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C1CCC(C(=O)NCCC[NH2+]CCC)CC1 ZINC001165913448 966200636 /nfs/dbraw/zinc/20/06/36/966200636.db2.gz ARSJKZMIQXSURT-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCCC[NH2+]CC(C)C ZINC001165934585 966202084 /nfs/dbraw/zinc/20/20/84/966202084.db2.gz YJBKEVIXTLZRAU-AWEZNQCLSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C)COc1ccccc1CN1CC[C@H]([NH3+])C1 ZINC001236167774 966278718 /nfs/dbraw/zinc/27/87/18/966278718.db2.gz DOOWVHILMDSMGA-AWEZNQCLSA-N 1 0 246.354 2.175 20 30 BEEDRO C#Cc1ccc(CN(C)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001236218138 966312837 /nfs/dbraw/zinc/31/28/37/966312837.db2.gz REZOMOANPHPTAT-HZPDHXFCSA-N 1 0 242.366 2.370 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)[C@H](C)[C@H](C)CC)CC1 ZINC001483778668 966379097 /nfs/dbraw/zinc/37/90/97/966379097.db2.gz KWCYMVCBHDKPTO-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH+]1CC(N(C)C(=O)[C@H](C)CC)C1 ZINC001483851561 966393690 /nfs/dbraw/zinc/39/36/90/966393690.db2.gz SAJZGUBQWHGPJZ-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCCC)[C@@H](C)C1 ZINC001483898167 966400284 /nfs/dbraw/zinc/40/02/84/966400284.db2.gz GCXXMPOQMSRIMV-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@H](OCC[NH+]1CCCCC1)C(C)C ZINC001206718394 966410709 /nfs/dbraw/zinc/41/07/09/966410709.db2.gz QAAOISODZJKHHF-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)C)C1 ZINC001484328960 966457115 /nfs/dbraw/zinc/45/71/15/966457115.db2.gz OZBZTMIMLZOBDM-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C)CC)CC1 ZINC001484706941 966506667 /nfs/dbraw/zinc/50/66/67/966506667.db2.gz PYELVZRPCHHOHT-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C#C[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC001167007545 966519520 /nfs/dbraw/zinc/51/95/20/966519520.db2.gz ZGLOFLAAVUPZOO-NSHDSACASA-N 1 0 225.295 2.413 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)C1CC=CC1 ZINC001484990604 966528520 /nfs/dbraw/zinc/52/85/20/966528520.db2.gz NUYFTVUHXQFKRC-LBPRGKRZSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC(C)(C)C(=O)NC1CC(C[NH2+]CCC)C1 ZINC001485100107 966539799 /nfs/dbraw/zinc/53/97/99/966539799.db2.gz RYVAJCNYXLZVSX-UHFFFAOYSA-N 1 0 238.375 2.093 20 30 BEEDRO C#CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]CCCC ZINC001485142372 966552626 /nfs/dbraw/zinc/55/26/26/966552626.db2.gz NOYNPRMTGHKXRW-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC[N@@H+](C)[C@H](C)CNC(=O)CC(C)(C)CC ZINC001485307529 966589073 /nfs/dbraw/zinc/58/90/73/966589073.db2.gz UGCNGGBZVUZLNX-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)CCC(F)F ZINC001485330555 966589098 /nfs/dbraw/zinc/58/90/98/966589098.db2.gz IJXAHIIUTWXOEH-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)CCC)C1 ZINC001485495311 966605297 /nfs/dbraw/zinc/60/52/97/966605297.db2.gz FMYOVGLDCRCRGA-NEPJUHHUSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCC(=O)NCC[NH2+][C@@H](C)CCC=C ZINC001124636854 966672908 /nfs/dbraw/zinc/67/29/08/966672908.db2.gz YGBKIDVORJLUMG-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C(Cl)C[NH2+]CCNC(=O)C[C@@H](C)C(C)C ZINC001124681762 966690077 /nfs/dbraw/zinc/69/00/77/966690077.db2.gz RFVTVDYPLFUYLU-SNVBAGLBSA-N 1 0 246.782 2.127 20 30 BEEDRO C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)C)CC1 ZINC001272714960 966692595 /nfs/dbraw/zinc/69/25/95/966692595.db2.gz WLKRLHWJBWCIAD-JOCQHMNTSA-N 1 0 238.375 2.093 20 30 BEEDRO N#C[C@H]1CCCN(Cc2cccc3c[nH+]cn32)C1 ZINC001238118127 966724302 /nfs/dbraw/zinc/72/43/02/966724302.db2.gz HOSBXKNKCWLIBG-GFCCVEGCSA-N 1 0 240.310 2.070 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)ccc1O ZINC001203664280 966728735 /nfs/dbraw/zinc/72/87/35/966728735.db2.gz VNLMUZNRJFVIOE-UHFFFAOYSA-N 1 0 209.676 2.111 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]CCCC(C)C)C1 ZINC001203664921 966729463 /nfs/dbraw/zinc/72/94/63/966729463.db2.gz CAYNNXCKTFJOAI-AWEZNQCLSA-N 1 0 222.376 2.110 20 30 BEEDRO CCC[N@H+](CCOC)Cc1cccc(C#N)c1 ZINC001203755319 966770667 /nfs/dbraw/zinc/77/06/67/966770667.db2.gz OHUDNBYBXRUYGK-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C)C1 ZINC000692216168 966772933 /nfs/dbraw/zinc/77/29/33/966772933.db2.gz WQBJIOBTQFJGTH-RDBSUJKOSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)c2)CCC[C@@H]1O ZINC001203758042 966772766 /nfs/dbraw/zinc/77/27/66/966772766.db2.gz YKXZUKVARPQVAV-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)C(C)=C2CCC2)CC1 ZINC000996382843 966776923 /nfs/dbraw/zinc/77/69/23/966776923.db2.gz BWVQRTXMBNUOTQ-UHFFFAOYSA-N 1 0 248.370 2.253 20 30 BEEDRO CCc1cc(CN(C)CC[NH+](C)C)ccc1C#N ZINC001238766960 966780201 /nfs/dbraw/zinc/78/02/01/966780201.db2.gz QQKRDDZVWLRONL-UHFFFAOYSA-N 1 0 245.370 2.114 20 30 BEEDRO Cc1cc(C#N)c(C2=CCC[NH2+]CC2)nc1C ZINC001238937003 966791927 /nfs/dbraw/zinc/79/19/27/966791927.db2.gz WCZLYCQCWGXLOX-UHFFFAOYSA-N 1 0 227.311 2.337 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)CCC[C@@H]1O ZINC001203900002 966817665 /nfs/dbraw/zinc/81/76/65/966817665.db2.gz LUWGUDRNOPFAPZ-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C#CCC[C@H](O)C[NH2+]C/C=C\c1ccc(F)cc1 ZINC001203536371 966831065 /nfs/dbraw/zinc/83/10/65/966831065.db2.gz PYKMPLSGZCTJTF-XVWMLYKFSA-N 1 0 247.313 2.203 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(O)cc1O ZINC001204278822 966958709 /nfs/dbraw/zinc/95/87/09/966958709.db2.gz KKRHLRJJSSBRAQ-UHFFFAOYSA-N 1 0 219.284 2.272 20 30 BEEDRO N#Cc1ccccc1C[NH+]1CCC2(COC2)CC1 ZINC001204366437 966980193 /nfs/dbraw/zinc/98/01/93/966980193.db2.gz HQGHKZWWMBJRTP-UHFFFAOYSA-N 1 0 242.322 2.171 20 30 BEEDRO C[C@@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@@H]1O ZINC001204368294 966981033 /nfs/dbraw/zinc/98/10/33/966981033.db2.gz MWJVJCFMMQTZDI-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccccc2C#N)CCC[C@@H]1O ZINC001204368297 966981867 /nfs/dbraw/zinc/98/18/67/966981867.db2.gz MWJVJCFMMQTZDI-WFASDCNBSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)CC[C@@H]1O ZINC001204366473 966982553 /nfs/dbraw/zinc/98/25/53/966982553.db2.gz JACKMRGZFBMLAQ-DOMZBBRYSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CCCCC[N@@H+](C)Cc1cncn1C ZINC001204387198 966984233 /nfs/dbraw/zinc/98/42/33/966984233.db2.gz IUVSXVZQHPOAIM-UHFFFAOYSA-N 1 0 207.321 2.208 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001128030090 967026827 /nfs/dbraw/zinc/02/68/27/967026827.db2.gz HYJLXCRWEGFJJP-ZDUSSCGKSA-N 1 0 236.359 2.015 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(F)c(OC)c1 ZINC001204559139 967059546 /nfs/dbraw/zinc/05/95/46/967059546.db2.gz QAYPDUQLBJDZSP-UHFFFAOYSA-N 1 0 209.264 2.452 20 30 BEEDRO C=CCC[NH2+]CCCC[C@H](C)NC(=O)CC ZINC001168629486 967137283 /nfs/dbraw/zinc/13/72/83/967137283.db2.gz IWTSYKWBDYVTIA-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=CCCC[NH2+]CCCC[C@H](C)NC(C)=O ZINC001168658057 967240457 /nfs/dbraw/zinc/24/04/57/967240457.db2.gz HJJFRRHBILVEPY-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO CCCCCCCCCN1C[C@H]([NH3+])C[C@@H](O)C1 ZINC001204958023 967258037 /nfs/dbraw/zinc/25/80/37/967258037.db2.gz UYHZLLNKXMCBNA-ZIAGYGMSSA-N 1 0 242.407 2.131 20 30 BEEDRO C#CC1CC[NH+](Cc2ccnc(OCC)c2)CC1 ZINC001250014015 967273088 /nfs/dbraw/zinc/27/30/88/967273088.db2.gz LWXSSZCQRLAAMO-UHFFFAOYSA-N 1 0 244.338 2.326 20 30 BEEDRO CCN1C[C@H]([NH2+]Cc2csc(C#N)c2)[C@@H](C)C1 ZINC000921832941 967280934 /nfs/dbraw/zinc/28/09/34/967280934.db2.gz QMLSIMVQOARVPV-GWCFXTLKSA-N 1 0 249.383 2.050 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)/C(C)=C\C ZINC001485860547 967297365 /nfs/dbraw/zinc/29/73/65/967297365.db2.gz HXMKXWQERUYFPW-FFXRNRBCSA-N 1 0 238.375 2.355 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[C@H]1C ZINC001485908755 967312336 /nfs/dbraw/zinc/31/23/36/967312336.db2.gz AULHPAOEJCIREI-FRRDWIJNSA-N 1 0 238.375 2.045 20 30 BEEDRO N#CCCC1=CC[C@H]([NH+]2CCOCC2)CC1 ZINC001250058121 967322571 /nfs/dbraw/zinc/32/25/71/967322571.db2.gz LPTBJPTUOMCVTG-ZDUSSCGKSA-N 1 0 220.316 2.101 20 30 BEEDRO N#Cc1ccc(CN2CCC[C@@H]([NH3+])CC2)c(F)c1 ZINC001205109471 967353673 /nfs/dbraw/zinc/35/36/73/967353673.db2.gz GSLMXHMJTROQAK-CYBMUJFWSA-N 1 0 247.317 2.011 20 30 BEEDRO C=CCCC[NH2+]CCNC(=O)C(C)(C)C(C)C ZINC001128168759 967384481 /nfs/dbraw/zinc/38/44/81/967384481.db2.gz TWEPALVCXIMYRV-UHFFFAOYSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(Cl)C(C)(C)C(=O)NCC[NH2+]CCCC ZINC001128189654 967419297 /nfs/dbraw/zinc/41/92/97/967419297.db2.gz AFCQIJREFBMQKP-UHFFFAOYSA-N 1 0 246.782 2.271 20 30 BEEDRO C=CC(C)(C)CC(=O)NCC[NH2+]C[C@H](C)CC ZINC001128246406 967438879 /nfs/dbraw/zinc/43/88/79/967438879.db2.gz YBOPKVNWFAISJN-GFCCVEGCSA-N 1 0 240.391 2.341 20 30 BEEDRO N#Cc1cc(CC[NH+]2CCCCC2)ccc1O ZINC001250241036 967550670 /nfs/dbraw/zinc/55/06/70/967550670.db2.gz AYGZPILHAONHLF-UHFFFAOYSA-N 1 0 230.311 2.292 20 30 BEEDRO C=C(C)C[NH2+]CCCC[C@@H](C)NC(=O)C1CC1 ZINC001168711061 967595815 /nfs/dbraw/zinc/59/58/15/967595815.db2.gz JZAOTUQIXXUXBA-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](C#N)C[NH2+]Cc1ccc(Cl)cc1O ZINC001205366111 967599522 /nfs/dbraw/zinc/59/95/22/967599522.db2.gz FYTDXIFKLSTUHI-QMMMGPOBSA-N 1 0 224.691 2.295 20 30 BEEDRO C=CC[NH2+]CC[C@H](C)NC(=O)[C@](C)(C=C)CC ZINC001273002751 967611133 /nfs/dbraw/zinc/61/11/33/967611133.db2.gz XZZGUHGNVUWMSL-GXTWGEPZSA-N 1 0 238.375 2.259 20 30 BEEDRO C[N@@H+]1CCCC(=CC(=O)c2cccc(C#N)c2)C1 ZINC001250289464 967628155 /nfs/dbraw/zinc/62/81/55/967628155.db2.gz SXZALSFWYSWWHJ-UHFFFAOYSA-N 1 0 240.306 2.393 20 30 BEEDRO C=CCCC(=O)NCC1([NH2+]CC(=C)C)CCC1 ZINC001273056162 967695241 /nfs/dbraw/zinc/69/52/41/967695241.db2.gz RLNSNYKOWIDKDJ-UHFFFAOYSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)c2coc(C)c2)CCC1 ZINC001273069602 967696884 /nfs/dbraw/zinc/69/68/84/967696884.db2.gz XAYLRDBWUVEIEQ-UHFFFAOYSA-N 1 0 248.326 2.016 20 30 BEEDRO C[N@@H+]1CCC[C@@H](OCc2ccccc2C#N)C1 ZINC001205579908 967701335 /nfs/dbraw/zinc/70/13/35/967701335.db2.gz RIPKYUYZDJHLTM-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2nsnc21)C(C)C ZINC001205714172 967800019 /nfs/dbraw/zinc/80/00/19/967800019.db2.gz UONZGVLZIGQUTL-NSHDSACASA-N 1 0 245.351 2.439 20 30 BEEDRO C[N@@H+]1CCC[C@@](C)(Nc2cc(CC#N)ccn2)C1 ZINC001162337463 967808206 /nfs/dbraw/zinc/80/82/06/967808206.db2.gz OYZDREMAEOFSOG-CQSZACIVSA-N 1 0 244.342 2.044 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(CC)CC ZINC001205744113 967808768 /nfs/dbraw/zinc/80/87/68/967808768.db2.gz GEFXTISOZQLNSI-TUAOUCFPSA-N 1 0 209.333 2.191 20 30 BEEDRO C=C(Br)CN1CC[C@H](OCC)C1 ZINC000701734558 967818473 /nfs/dbraw/zinc/81/84/73/967818473.db2.gz HEEOJBDOVBEXAB-VIFPVBQESA-N 1 0 234.137 2.006 20 30 BEEDRO N#Cc1ccc(-c2ccc3c[nH+]cn3c2)nc1 ZINC001250463338 967889588 /nfs/dbraw/zinc/88/95/88/967889588.db2.gz ZOBYNYATLYUDEL-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=C(C)CNc1c[nH+]c(N(C)C)cc1C ZINC001163378078 968030949 /nfs/dbraw/zinc/03/09/49/968030949.db2.gz BPULEJNJXLJCLL-UHFFFAOYSA-N 1 0 205.305 2.444 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1C[C@H]1c1cnn(C)c1)C(C)(C)C ZINC001206076363 968044637 /nfs/dbraw/zinc/04/46/37/968044637.db2.gz CBECNSDPHXXYMA-YUTCNCBUSA-N 1 0 245.370 2.161 20 30 BEEDRO C=CC[C@H](C)[NH2+]C1(C2CC2)CCOCC1 ZINC001331770856 968047502 /nfs/dbraw/zinc/04/75/02/968047502.db2.gz OKMOPQWWUYTTBD-NSHDSACASA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@H](C[NH+](C)C)Nc1cc(F)cc(CC#N)c1 ZINC001163786149 968118021 /nfs/dbraw/zinc/11/80/21/968118021.db2.gz LIXGSEREMLJXGP-SNVBAGLBSA-N 1 0 235.306 2.254 20 30 BEEDRO C[NH+]=C(NCc1ccc2c(c1)CCC2)NC1CC1 ZINC001118411173 968148800 /nfs/dbraw/zinc/14/88/00/968148800.db2.gz TUTIILPWDIUCAD-UHFFFAOYSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H]1CC[C@@H](C[NH2+]CC)C1 ZINC001278585751 968158579 /nfs/dbraw/zinc/15/85/79/968158579.db2.gz NXDUOCLESJBOCM-NEPJUHHUSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNC(=O)CCCF ZINC001164064347 968171122 /nfs/dbraw/zinc/17/11/22/968171122.db2.gz OVJCBGCDYFNHTO-LBPRGKRZSA-N 1 0 244.354 2.187 20 30 BEEDRO CC#CC[C@H](CC)OCC[NH+]1CCCC1 ZINC001206309935 968204533 /nfs/dbraw/zinc/20/45/33/968204533.db2.gz XEXRSAARVGZNLE-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C[NH+](C)CCCO[C@H](C#N)c1ccccc1F ZINC001206302889 968210675 /nfs/dbraw/zinc/21/06/75/968210675.db2.gz VCQVPKVKHRNNRC-CYBMUJFWSA-N 1 0 236.290 2.359 20 30 BEEDRO C[NH+](C)CCCO[C@@H](C#N)c1cccc(F)c1 ZINC001206302706 968210837 /nfs/dbraw/zinc/21/08/37/968210837.db2.gz QQTLKJSFXQKNCX-ZDUSSCGKSA-N 1 0 236.290 2.359 20 30 BEEDRO C[NH+](C)CCCO[C@@H](C#N)c1ccccc1F ZINC001206302890 968210890 /nfs/dbraw/zinc/21/08/90/968210890.db2.gz VCQVPKVKHRNNRC-ZDUSSCGKSA-N 1 0 236.290 2.359 20 30 BEEDRO CC(C)[C@@H](C#N)c1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164286543 968216356 /nfs/dbraw/zinc/21/63/56/968216356.db2.gz RMRRPHNBICNZOE-UKRRQHHQSA-N 1 0 243.354 2.487 20 30 BEEDRO CC(C)[C@@H](C#N)c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164286541 968217003 /nfs/dbraw/zinc/21/70/03/968217003.db2.gz RMRRPHNBICNZOE-DZGCQCFKSA-N 1 0 243.354 2.487 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[N@H+](CCCC)C[C@H]1C ZINC001206545583 968371136 /nfs/dbraw/zinc/37/11/36/968371136.db2.gz WTHDKZCFCWMBIK-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1coc(Nc2cc[nH+]c(N)c2)c1C#N ZINC001206542757 968373811 /nfs/dbraw/zinc/37/38/11/968373811.db2.gz HQHXYKZVMXXXEP-UHFFFAOYSA-N 1 0 214.228 2.181 20 30 BEEDRO N#Cc1cc(Nc2cc[nH+]c(C3CC3)c2)ccn1 ZINC001206607298 968415898 /nfs/dbraw/zinc/41/58/98/968415898.db2.gz PYZBDTCQIPQDOJ-UHFFFAOYSA-N 1 0 236.278 2.391 20 30 BEEDRO C#CC[C@@H](CC)OCC[NH+]1CCCCC1 ZINC001206710317 968436379 /nfs/dbraw/zinc/43/63/79/968436379.db2.gz YLWSMWNQRRTEMJ-CYBMUJFWSA-N 1 0 209.333 2.291 20 30 BEEDRO CC(Cc1ccc(C)cc1)=[NH+]n1cnnc1 ZINC001252031730 968447445 /nfs/dbraw/zinc/44/74/45/968447445.db2.gz IBHDKVDETPNYJE-UHFFFAOYSA-N 1 0 214.272 2.053 20 30 BEEDRO C=C(C)CO[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001206750790 968455250 /nfs/dbraw/zinc/45/52/50/968455250.db2.gz NALDZGQCPMHQDT-OKILXGFUSA-N 1 0 239.359 2.223 20 30 BEEDRO C=C(Cl)C[NH2+]CCN(CC)C(=O)C=C(C)C ZINC001273249128 968479629 /nfs/dbraw/zinc/47/96/29/968479629.db2.gz MAEXAXVYUXWPJR-UHFFFAOYSA-N 1 0 244.766 2.143 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]Cc1cnccn1 ZINC001474749640 1169921767 /nfs/dbraw/zinc/92/17/67/1169921767.db2.gz QCAHNNKMDATBAC-LLVKDONJSA-N 1 0 205.305 2.311 20 30 BEEDRO C=CC[NH2+]CC1CCN(C(=O)C(C)(C)C)CC1 ZINC001206887918 968511264 /nfs/dbraw/zinc/51/12/64/968511264.db2.gz ITXYDPRUILQXSA-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCCN(C(=O)CC)C1 ZINC001206982937 968528853 /nfs/dbraw/zinc/52/88/53/968528853.db2.gz ZECNDXKXIKCAKJ-STQMWFEESA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)C1=CCCC1 ZINC001085168488 968549883 /nfs/dbraw/zinc/54/98/83/968549883.db2.gz PZVWKSCLJSCVKC-ZIAGYGMSSA-N 1 0 248.370 2.300 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC[C@H](F)CC2)cc1C#N ZINC001207102610 968630719 /nfs/dbraw/zinc/63/07/19/968630719.db2.gz CJSGYPPQSFRLIP-LBPRGKRZSA-N 1 0 235.306 2.221 20 30 BEEDRO CSC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC001207106410 968632948 /nfs/dbraw/zinc/63/29/48/968632948.db2.gz LDYFLRDZEDJKJK-UHFFFAOYSA-N 1 0 249.383 2.224 20 30 BEEDRO C=CCOC[C@H](O)C[NH2+][C@@H](C)CCCCC ZINC001252486764 968742444 /nfs/dbraw/zinc/74/24/44/968742444.db2.gz HFXPLKFFBLWHAY-QWHCGFSZSA-N 1 0 229.364 2.108 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+][C@H](C)CCCCC ZINC001252486703 968741886 /nfs/dbraw/zinc/74/18/86/968741886.db2.gz HFXPLKFFBLWHAY-OLZOCXBDSA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(C)c1ccc(N2CC[NH2+]CC2)c(C#N)c1 ZINC001240835119 968741978 /nfs/dbraw/zinc/74/19/78/968741978.db2.gz RARNTKXNICWVND-UHFFFAOYSA-N 1 0 227.311 2.001 20 30 BEEDRO C=CCOC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1 ZINC001252485274 968744303 /nfs/dbraw/zinc/74/43/03/968744303.db2.gz JALRHEYQGDHERJ-AWEZNQCLSA-N 1 0 249.354 2.075 20 30 BEEDRO C=C(C)c1ccc(N2CC[C@@H]([NH+](C)C)C2)nc1 ZINC001240837239 968758122 /nfs/dbraw/zinc/75/81/22/968758122.db2.gz ADSYIKKECAUWSG-CYBMUJFWSA-N 1 0 231.343 2.255 20 30 BEEDRO C=C[C@@](C)(O)CNc1ccc(C)nc1C ZINC001252538113 968769480 /nfs/dbraw/zinc/76/94/80/968769480.db2.gz BSJQVOAYZBCLBV-GFCCVEGCSA-N 1 0 206.289 2.047 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccccc1Cl ZINC001252539296 968771990 /nfs/dbraw/zinc/77/19/90/968771990.db2.gz SFPZTEUHYDATEO-GFCCVEGCSA-N 1 0 225.719 2.367 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(C)s1 ZINC001252541663 968776889 /nfs/dbraw/zinc/77/68/89/968776889.db2.gz QKZWDSRGPTWLPW-LLVKDONJSA-N 1 0 211.330 2.083 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)C1=CCCC1 ZINC001085541493 968788691 /nfs/dbraw/zinc/78/86/91/968788691.db2.gz ANTFDQCOXMCGHQ-CQSZACIVSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C[C@@](C)(O)C[N@H+](C)Cc1ccccc1F ZINC001252554394 968790739 /nfs/dbraw/zinc/79/07/39/968790739.db2.gz FYIPCQLAPWJMNE-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC001252550864 968790969 /nfs/dbraw/zinc/79/09/69/968790969.db2.gz PEOZUXZNBLDUCV-UWVGGRQHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=C[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC001252554799 968796995 /nfs/dbraw/zinc/79/69/95/968796995.db2.gz LUUCSCCVIABOOD-ZIAGYGMSSA-N 1 0 232.327 2.156 20 30 BEEDRO C=C[C@](C)(O)C[N@@H+]1CCC[C@H]1Cc1ccccn1 ZINC001252554646 968797698 /nfs/dbraw/zinc/79/76/98/968797698.db2.gz JEIYIINMJTXTFD-GJZGRUSLSA-N 1 0 246.354 2.026 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)c1ccccc1 ZINC001252567669 968818255 /nfs/dbraw/zinc/81/82/55/968818255.db2.gz BXPGWFJJUAVLRR-AWEZNQCLSA-N 1 0 219.328 2.448 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccccc1Cl ZINC001252571417 968819999 /nfs/dbraw/zinc/81/99/99/968819999.db2.gz ISSSYIGAAJMNPF-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)/C(C)=C\CC)C1 ZINC001207569579 968820340 /nfs/dbraw/zinc/82/03/40/968820340.db2.gz IWTSBZCIASIKCK-OTAKNEKHSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H]1CCOc2cccc(C)c21 ZINC001252570072 968820523 /nfs/dbraw/zinc/82/05/23/968820523.db2.gz YCXWEQKZHDCYJE-IUODEOHRSA-N 1 0 247.338 2.345 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1OC ZINC001252571252 968820857 /nfs/dbraw/zinc/82/08/57/968820857.db2.gz GQEAFABGZZTYFA-SMDDNHRTSA-N 1 0 235.327 2.283 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000829179464 968821252 /nfs/dbraw/zinc/82/12/52/968821252.db2.gz MIHNDTXBEOYWOC-DGCLKSJQSA-N 1 0 226.364 2.311 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000829179466 968821963 /nfs/dbraw/zinc/82/19/63/968821963.db2.gz MIHNDTXBEOYWOC-WCQYABFASA-N 1 0 226.364 2.311 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001252571834 968823073 /nfs/dbraw/zinc/82/30/73/968823073.db2.gz KMOWASMIHGDUDF-HNNXBMFYSA-N 1 0 244.338 2.320 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1ccc(F)c(C)c1 ZINC001252573137 968823221 /nfs/dbraw/zinc/82/32/21/968823221.db2.gz ZLHKQIWWPQZTKC-CYBMUJFWSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]CCc1ccc(C)c(C)c1 ZINC001252571694 968823439 /nfs/dbraw/zinc/82/34/39/968823439.db2.gz JGXMVRVFENICAI-OAHLLOKOSA-N 1 0 233.355 2.373 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC001252574140 968825510 /nfs/dbraw/zinc/82/55/10/968825510.db2.gz MAXCKKAJQZUKHE-FFSGTFEZSA-N 1 0 235.371 2.338 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC001252577827 968829492 /nfs/dbraw/zinc/82/94/92/968829492.db2.gz MSZKQDMNFKVQMT-KGLIPLIRSA-N 1 0 232.327 2.059 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CC(C)(C)Cc1ccccn1 ZINC001252578529 968830307 /nfs/dbraw/zinc/83/03/07/968830307.db2.gz DXMOWKSMFKLGHQ-HNNXBMFYSA-N 1 0 248.370 2.177 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]C1(c2ccccc2OC)CC1 ZINC001252578908 968831259 /nfs/dbraw/zinc/83/12/59/968831259.db2.gz IEPAINOFFDACBM-AWEZNQCLSA-N 1 0 247.338 2.211 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252580449 968832500 /nfs/dbraw/zinc/83/25/00/968832500.db2.gz BZHBCECQLCYJQB-CQSZACIVSA-N 1 0 235.327 2.036 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]CCc1cc2ccccc2[nH]1 ZINC001252580147 968833828 /nfs/dbraw/zinc/83/38/28/968833828.db2.gz BEQXEPBMFNTRBM-HNNXBMFYSA-N 1 0 244.338 2.237 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C(C)(C)CC1CCC1 ZINC001252583032 968835955 /nfs/dbraw/zinc/83/59/55/968835955.db2.gz BPIAIXRJBDWTPP-CYBMUJFWSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C[C@H](C)c1cccc(OC)c1 ZINC001252584511 968837373 /nfs/dbraw/zinc/83/73/73/968837373.db2.gz AWFAIERHGNZQIQ-SWLSCSKDSA-N 1 0 249.354 2.325 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1cccnc1C)C1CC1 ZINC001252583400 968838388 /nfs/dbraw/zinc/83/83/88/968838388.db2.gz JPQIQOFNMOCZBK-HUUCEWRRSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC001252583898 968838614 /nfs/dbraw/zinc/83/86/14/968838614.db2.gz VNEACZPDAQRQHL-LLVKDONJSA-N 1 0 233.302 2.481 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCc1ccccc1 ZINC001252585897 968839338 /nfs/dbraw/zinc/83/93/38/968839338.db2.gz APJVNCBGZFIXOQ-CQSZACIVSA-N 1 0 219.328 2.146 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccc(F)cc1F ZINC001252586499 968840841 /nfs/dbraw/zinc/84/08/41/968840841.db2.gz JEJHMJZCKPQNKQ-LBPRGKRZSA-N 1 0 241.281 2.382 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1cccc2cccnc21 ZINC001252585673 968841122 /nfs/dbraw/zinc/84/11/22/968841122.db2.gz RNQUNUOTVDOZJC-OAHLLOKOSA-N 1 0 242.322 2.261 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]C1CCC(C)CC1 ZINC001252588035 968843526 /nfs/dbraw/zinc/84/35/26/968843526.db2.gz ZUGKMSQSHRDGRY-BPCQOVAHSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cnccc1Cl ZINC001252589572 968846789 /nfs/dbraw/zinc/84/67/89/968846789.db2.gz NJMALIDUMJUGGS-NSHDSACASA-N 1 0 240.734 2.152 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCCC12CC2 ZINC001252603272 968859966 /nfs/dbraw/zinc/85/99/66/968859966.db2.gz RRDBDYXWLTZFFS-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO C#CC[N@@H+](C)CC1(c2ccc3c(c2)OCO3)CC1 ZINC001207712211 968863988 /nfs/dbraw/zinc/86/39/88/968863988.db2.gz XCHBANTZLKNIHP-UHFFFAOYSA-N 1 0 243.306 2.012 20 30 BEEDRO CN1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001207730171 968868894 /nfs/dbraw/zinc/86/88/94/968868894.db2.gz UFNGMXFWKVCRJU-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCCc2cccnc21 ZINC001252616565 968874832 /nfs/dbraw/zinc/87/48/32/968874832.db2.gz QXHURNRITKNZKV-KGLIPLIRSA-N 1 0 246.354 2.376 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC001252616409 968875329 /nfs/dbraw/zinc/87/53/29/968875329.db2.gz OORYMCRHZDVTAM-ILXRZTDVSA-N 1 0 231.339 2.459 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1ccoc1C ZINC001252617749 968877773 /nfs/dbraw/zinc/87/77/73/968877773.db2.gz JNFPURADTOZNSK-LBPRGKRZSA-N 1 0 209.289 2.005 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]Cc1ccc(C(C)=O)cc1 ZINC001252618381 968878679 /nfs/dbraw/zinc/87/86/79/968878679.db2.gz TXVBKIXZTGSHBF-OAHLLOKOSA-N 1 0 247.338 2.306 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CC[C@@H](C)CC1 ZINC001252620809 968880911 /nfs/dbraw/zinc/88/09/11/968880911.db2.gz ZUGKMSQSHRDGRY-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC(C)(C)C1 ZINC001252620203 968881037 /nfs/dbraw/zinc/88/10/37/968881037.db2.gz RWIPLQMIOSRJSY-RYUDHWBXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1COCc2ccccc21 ZINC001252621081 968884002 /nfs/dbraw/zinc/88/40/02/968884002.db2.gz VYIWMNMSJVNLLH-UKRRQHHQSA-N 1 0 247.338 2.175 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCc2ccncc21 ZINC001252625775 968885835 /nfs/dbraw/zinc/88/58/35/968885835.db2.gz ZVSJUCOIOCWLSR-DZGCQCFKSA-N 1 0 246.354 2.376 20 30 BEEDRO CCCC[N@@H+](CCC#N)CCCn1cccn1 ZINC001208075937 968975248 /nfs/dbraw/zinc/97/52/48/968975248.db2.gz WBEPARJNNLRVED-UHFFFAOYSA-N 1 0 234.347 2.289 20 30 BEEDRO CCC[C@@H](O)C[NH2+][C@@H]1CCc2c1cccc2C#N ZINC001252802322 968988979 /nfs/dbraw/zinc/98/89/79/968988979.db2.gz HVZZENNOLSHXEC-IUODEOHRSA-N 1 0 244.338 2.296 20 30 BEEDRO CCC[C@H](O)CNC(=[NH2+])c1ccc(C)c(C)c1 ZINC001252807332 968994350 /nfs/dbraw/zinc/99/43/50/968994350.db2.gz HGNUFBFGWULFMZ-ZDUSSCGKSA-N 1 0 234.343 2.170 20 30 BEEDRO C[N@@H+]1CCC=C(c2[nH]ccc3ncc(C#N)c2-3)C1 ZINC001241567153 969063670 /nfs/dbraw/zinc/06/36/70/969063670.db2.gz NQRREGRTPLTHTR-UHFFFAOYSA-N 1 0 238.294 2.153 20 30 BEEDRO C=CCN(C)CC1(C[NH+](C)C)CCCC1 ZINC001208185441 969117581 /nfs/dbraw/zinc/11/75/81/969117581.db2.gz DSKFQFMSCHYKOP-UHFFFAOYSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCCCCCC[C@@H](O)C[NH2+]CC(=O)CC ZINC001253256072 969123643 /nfs/dbraw/zinc/12/36/43/969123643.db2.gz ROLSGFZQZOHZFR-CQSZACIVSA-N 1 0 241.375 2.443 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC001208260891 969130412 /nfs/dbraw/zinc/13/04/12/969130412.db2.gz HGBHUSJYRZYRQI-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC001208260890 969132742 /nfs/dbraw/zinc/13/27/42/969132742.db2.gz HGBHUSJYRZYRQI-CYBMUJFWSA-N 1 0 238.375 2.332 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1cccc2c[nH]nc21 ZINC000166100119 969138424 /nfs/dbraw/zinc/13/84/24/969138424.db2.gz UIURDFXEBSLAHW-UHFFFAOYSA-N 1 0 221.691 2.405 20 30 BEEDRO CC[NH+]1CCC(CN2CCCC[C@H]2C#N)CC1 ZINC001208598576 969150183 /nfs/dbraw/zinc/15/01/83/969150183.db2.gz TVPBLHKKWWETNS-AWEZNQCLSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCCCC(=O)OC ZINC000381597606 969160386 /nfs/dbraw/zinc/16/03/86/969160386.db2.gz MHALFMUGRPTPES-LLVKDONJSA-N 1 0 226.320 2.002 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CC[C@H](C(=O)OC)CC1 ZINC001208628546 969176360 /nfs/dbraw/zinc/17/63/60/969176360.db2.gz GUGQMDPAFDQWNW-HAQNSBGRSA-N 1 0 225.332 2.084 20 30 BEEDRO C#CC[N@@H+](C)C[C@H](C)OCc1ccccc1 ZINC001208701312 969199497 /nfs/dbraw/zinc/19/94/97/969199497.db2.gz XDEAQLMSQZTJTA-ZDUSSCGKSA-N 1 0 217.312 2.157 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)CCCCC)C1 ZINC001253535136 969210035 /nfs/dbraw/zinc/21/00/35/969210035.db2.gz HUMOAWJYWJVBCL-KGLIPLIRSA-N 1 0 223.360 2.273 20 30 BEEDRO CCCCC[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC001253559285 969230547 /nfs/dbraw/zinc/23/05/47/969230547.db2.gz JKSXYKAOMBZAAD-LLVKDONJSA-N 1 0 236.315 2.182 20 30 BEEDRO C[Si](C)(C)C#Cn1cnc2ccc(C[NH3+])cc21 ZINC001168841421 969231298 /nfs/dbraw/zinc/23/12/98/969231298.db2.gz CTIHXJZMOTXGBE-UHFFFAOYSA-N 1 0 243.386 2.181 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC(C(C)(C)C)CC1 ZINC001253568218 969241112 /nfs/dbraw/zinc/24/11/12/969241112.db2.gz YUEPFBMVFVASBF-LBPRGKRZSA-N 1 0 211.349 2.291 20 30 BEEDRO C[N@H+]1CC=C(Nc2ccc(C#N)s2)CC1 ZINC001208803450 969245065 /nfs/dbraw/zinc/24/50/65/969245065.db2.gz WLIKNYKRCDYEAY-UHFFFAOYSA-N 1 0 219.313 2.251 20 30 BEEDRO Cc1ccc(NC2=CC[N@H+](C)CC2)c(C#N)c1 ZINC001208838707 969250307 /nfs/dbraw/zinc/25/03/07/969250307.db2.gz ROQQPZOKOBFJLL-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO C=C[C@@H](O)C[NH+]1CCC(CCCC)CC1 ZINC001253575793 969254244 /nfs/dbraw/zinc/25/42/44/969254244.db2.gz DRFSKNQHEHMGQD-CYBMUJFWSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC001253581278 969255602 /nfs/dbraw/zinc/25/56/02/969255602.db2.gz CEHQWMKNKSMZBA-ZIAGYGMSSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C[C@@H](O)C[N@@H+](C)C12CC3CC(CC(C3)C1)C2 ZINC001253579963 969256048 /nfs/dbraw/zinc/25/60/48/969256048.db2.gz VKVGWUXFTHIICU-WRHSUISWSA-N 1 0 235.371 2.434 20 30 BEEDRO C=C[C@H](O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC001253580825 969257355 /nfs/dbraw/zinc/25/73/55/969257355.db2.gz FLKCXNUMVZTQKX-KBPBESRZSA-N 1 0 217.312 2.370 20 30 BEEDRO C=C[C@H](O)C[NH2+]CCc1cccc(Cl)c1 ZINC001253597219 969289188 /nfs/dbraw/zinc/28/91/88/969289188.db2.gz BYSRWURWSXXVRJ-LBPRGKRZSA-N 1 0 225.719 2.019 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccccc1C(F)F ZINC001253599909 969294302 /nfs/dbraw/zinc/29/43/02/969294302.db2.gz UJJBFHRXKPOSKR-SNVBAGLBSA-N 1 0 227.254 2.261 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1ccc(OC)cc1)C1CC1 ZINC001253602207 969295588 /nfs/dbraw/zinc/29/55/88/969295588.db2.gz DZEJKKDBBHRCPB-DZGCQCFKSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1cccc(F)c1Cl ZINC001253602235 969295671 /nfs/dbraw/zinc/29/56/71/969295671.db2.gz FDNLUJVLEWDCET-VIFPVBQESA-N 1 0 229.682 2.116 20 30 BEEDRO CNc1ccc(C#N)cc1NC1=CC[N@H+](C)CC1 ZINC001208910660 969296971 /nfs/dbraw/zinc/29/69/71/969296971.db2.gz TXMYERDHJNVFLH-UHFFFAOYSA-N 1 0 242.326 2.231 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCCc1cccc(Cl)c1 ZINC001253603418 969298882 /nfs/dbraw/zinc/29/88/82/969298882.db2.gz XHPSFMANWUMDJD-CYBMUJFWSA-N 1 0 239.746 2.409 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC001253604108 969301683 /nfs/dbraw/zinc/30/16/83/969301683.db2.gz GBEJUJIMRHUWPD-NOZJJQNGSA-N 1 0 239.265 2.089 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](C)c1ccccc1C ZINC001253604549 969302830 /nfs/dbraw/zinc/30/28/30/969302830.db2.gz JXRJQJADAQCWPO-RYUDHWBXSA-N 1 0 205.301 2.193 20 30 BEEDRO C=CC[N@@H+](CCCOCOC)C(C)(C)C ZINC001209031579 969326872 /nfs/dbraw/zinc/32/68/72/969326872.db2.gz LTUNKRHLBRONOH-UHFFFAOYSA-N 1 0 215.337 2.284 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1ccc(F)c(C)c1 ZINC001253608233 969308543 /nfs/dbraw/zinc/30/85/43/969308543.db2.gz KCNWTHVJCQUDBG-PWSUYJOCSA-N 1 0 223.291 2.332 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H](c1cccc(OC)c1)C1CC1 ZINC001253610765 969312300 /nfs/dbraw/zinc/31/23/00/969312300.db2.gz IDQIANBYKTVLBV-DZGCQCFKSA-N 1 0 247.338 2.283 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(C)CCC(F)(F)CC1 ZINC001253610501 969312632 /nfs/dbraw/zinc/31/26/32/969312632.db2.gz TXYTVUQSHJVESI-SECBINFHSA-N 1 0 219.275 2.091 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1c[nH]c2ccccc21 ZINC001253611868 969313783 /nfs/dbraw/zinc/31/37/83/969313783.db2.gz UTSZROJRHTYGMT-WDEREUQCSA-N 1 0 230.311 2.365 20 30 BEEDRO Cc1cnc(C[NH3+])n1-c1ccc(CS)cc1 ZINC001169030997 969351389 /nfs/dbraw/zinc/35/13/89/969351389.db2.gz SSTASZRSPFXBCY-UHFFFAOYSA-N 1 0 233.340 2.069 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040396 969357298 /nfs/dbraw/zinc/35/72/98/969357298.db2.gz ZPOWCFFDOGFEEQ-RYUDHWBXSA-N 1 0 226.320 2.330 20 30 BEEDRO C=CCCC[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001209157836 969361045 /nfs/dbraw/zinc/36/10/45/969361045.db2.gz IHYBTTXVSLECKH-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCC[NH+]1CCC(N2CCC2)CC1 ZINC001209164579 969365332 /nfs/dbraw/zinc/36/53/32/969365332.db2.gz DXYSMVHKLMMSEQ-UHFFFAOYSA-N 1 0 208.349 2.123 20 30 BEEDRO C=CCCCC[N@@H+]1CCC(=O)[C@@H](F)CC1 ZINC001209201833 969390104 /nfs/dbraw/zinc/39/01/04/969390104.db2.gz URCPMHHQOQKZGA-NSHDSACASA-N 1 0 213.296 2.346 20 30 BEEDRO C=CCCCC[NH+]1CCN(CCC)CC1 ZINC001209205256 969391866 /nfs/dbraw/zinc/39/18/66/969391866.db2.gz SIHHSVOGQCFMMF-UHFFFAOYSA-N 1 0 210.365 2.370 20 30 BEEDRO C=CCCCC[N@H+]1CCc2c(ncnc2OC)C1 ZINC001209205257 969394316 /nfs/dbraw/zinc/39/43/16/969394316.db2.gz SIVWWIVBPLFYQU-UHFFFAOYSA-N 1 0 247.342 2.200 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC)C1 ZINC001209205001 969394552 /nfs/dbraw/zinc/39/45/52/969394552.db2.gz ODSWCMPKBXHQRC-CHWSQXEVSA-N 1 0 239.359 2.474 20 30 BEEDRO C=CCCCC[N@@H+]1CCn2nccc2C1 ZINC001209208727 969396354 /nfs/dbraw/zinc/39/63/54/969396354.db2.gz YRTNGLNHYFVRBL-UHFFFAOYSA-N 1 0 205.305 2.055 20 30 BEEDRO C=CCCCC[NH+]1CCC2(CCC(=O)N2)CC1 ZINC001209208803 969396443 /nfs/dbraw/zinc/39/64/43/969396443.db2.gz ZSRGFBGWUOLHHL-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO CC(C)[C@@](C)(C#N)N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090730 969409557 /nfs/dbraw/zinc/40/95/57/969409557.db2.gz MAISORLVSUEDRB-XJFOESAGSA-N 1 0 235.375 2.139 20 30 BEEDRO CC(C)[C@](C)(C#N)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169090729 969409835 /nfs/dbraw/zinc/40/98/35/969409835.db2.gz MAISORLVSUEDRB-FQUUOJAGSA-N 1 0 235.375 2.139 20 30 BEEDRO CC(C)[C@H](O)C[NH2+]CCCCCCS ZINC001253790992 969412681 /nfs/dbraw/zinc/41/26/81/969412681.db2.gz ZXGOVSKYTSAGDD-LLVKDONJSA-N 1 0 219.394 2.083 20 30 BEEDRO C#CCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209268920 969419882 /nfs/dbraw/zinc/41/98/82/969419882.db2.gz BALMBMFDHDEOQO-UHFFFAOYSA-N 1 0 215.296 2.164 20 30 BEEDRO CCCCCCCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001254060968 969466524 /nfs/dbraw/zinc/46/65/24/969466524.db2.gz AHFJRMGZAKMJRP-ZDUSSCGKSA-N 1 0 236.363 2.325 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@H](N(C)C(C)=O)C1 ZINC001209433048 969503162 /nfs/dbraw/zinc/50/31/62/969503162.db2.gz PFEBKZLPTWMBOF-AWEZNQCLSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCCCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC001209435615 969508696 /nfs/dbraw/zinc/50/86/96/969508696.db2.gz GCPXCRFWGXNJTP-CYBMUJFWSA-N 1 0 238.375 2.463 20 30 BEEDRO COc1cncc(CC[NH2+]C#C[Si](C)(C)C)c1 ZINC001169264473 969517825 /nfs/dbraw/zinc/51/78/25/969517825.db2.gz NLHWZAMDOJKVBC-UHFFFAOYSA-N 1 0 248.402 2.061 20 30 BEEDRO CCCCN(CCC#N)C1CC[NH+](CC)CC1 ZINC001169256285 969544468 /nfs/dbraw/zinc/54/44/68/969544468.db2.gz ZXJDUPXEJHJUEO-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO N#CCC[N@H+](C1CCCC1)[C@H]1CCCOC1 ZINC001254383481 969599206 /nfs/dbraw/zinc/59/92/06/969599206.db2.gz FXYJYUBOISUVLR-ZDUSSCGKSA-N 1 0 222.332 2.324 20 30 BEEDRO C=CC[NH2+]CCCNC(=O)CC(CC)CC ZINC001169359381 969604405 /nfs/dbraw/zinc/60/44/05/969604405.db2.gz BEZARVMKPGYKEH-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=C(C)C[NH2+]CCCNC(=O)[C@H](CC)CCC ZINC001169426641 969640093 /nfs/dbraw/zinc/64/00/93/969640093.db2.gz MBXAQUWGJGOKNW-CYBMUJFWSA-N 1 0 240.391 2.485 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NCC2(C#N)CCCC2)CC1 ZINC001254498329 969662999 /nfs/dbraw/zinc/66/29/99/969662999.db2.gz VWKXKDBHOYTHQI-CYBMUJFWSA-N 1 0 235.375 2.144 20 30 BEEDRO C=CCC(C)(C)C(=O)N1CCC[C@H]([NH2+]CC)C1 ZINC001209876095 969675513 /nfs/dbraw/zinc/67/55/13/969675513.db2.gz WPXNXKUKSXUHTN-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C[N@@H+]1CCC[C@@H](NCc2cc(C#N)cs2)CC1 ZINC001254515282 969688046 /nfs/dbraw/zinc/68/80/46/969688046.db2.gz VGVLDBNPUPAJQK-GFCCVEGCSA-N 1 0 249.383 2.194 20 30 BEEDRO C=C[C@@H]([NH2+][C@H]1CCN(C(C)=O)C1)c1ccccc1 ZINC001169531608 969720505 /nfs/dbraw/zinc/72/05/05/969720505.db2.gz HZSHHQFAPPUQAG-LSDHHAIUSA-N 1 0 244.338 2.124 20 30 BEEDRO C#CC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254544897 969736742 /nfs/dbraw/zinc/73/67/42/969736742.db2.gz YSQJIFHNJDFZEU-NSHDSACASA-N 1 0 244.294 2.281 20 30 BEEDRO C#CCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568345 969739377 /nfs/dbraw/zinc/73/93/77/969739377.db2.gz STOHVEWJAMBRAX-CYBMUJFWSA-N 1 0 244.294 2.065 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254571934 969740006 /nfs/dbraw/zinc/74/00/06/969740006.db2.gz DPMDUCWAIBLXEL-GFCCVEGCSA-N 1 0 232.283 2.228 20 30 BEEDRO Cc1cc(N)[nH+]cc1Nc1c(N)cccc1C#N ZINC001209970897 969740616 /nfs/dbraw/zinc/74/06/16/969740616.db2.gz IVYNBOLHPASHTM-UHFFFAOYSA-N 1 0 239.282 2.170 20 30 BEEDRO N#C[C@@H]1CC[C@@H](n2ccc3cc(C[NH3+])cnc32)C1 ZINC001254636140 969753225 /nfs/dbraw/zinc/75/32/25/969753225.db2.gz IYJFVNRNLHQRTM-ZWNOBZJWSA-N 1 0 240.310 2.360 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2)C1 ZINC001254636660 969753309 /nfs/dbraw/zinc/75/33/09/969753309.db2.gz MOBVGYJJCDYSAM-UBHSHLNASA-N 1 0 230.311 2.002 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2(O)CCCCC2)C1 ZINC001254635312 969753718 /nfs/dbraw/zinc/75/37/18/969753718.db2.gz DCNILPJEYBUKNF-OLZOCXBDSA-N 1 0 236.359 2.354 20 30 BEEDRO N#Cc1ccc(F)c(NCC[C@H]2CCC[NH2+]2)c1 ZINC001169563919 969757952 /nfs/dbraw/zinc/75/79/52/969757952.db2.gz GPMUQMMICPROFD-LLVKDONJSA-N 1 0 233.290 2.251 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccnc32)C1 ZINC001254643263 969758440 /nfs/dbraw/zinc/75/84/40/969758440.db2.gz NQFYAJGRIMKNTK-RAIGVLPGSA-N 1 0 227.311 2.351 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)c2cccs2)C1 ZINC001254644048 969759013 /nfs/dbraw/zinc/75/90/13/969759013.db2.gz PXXIXCJLQNIUFQ-MXWKQRLJSA-N 1 0 236.340 2.063 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cncn2C2CCC2)C1 ZINC001254646456 969760368 /nfs/dbraw/zinc/76/03/68/969760368.db2.gz ATQJPBUGFCQPRT-RYUDHWBXSA-N 1 0 244.342 2.390 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cn(C3CCC3)cn2)C1 ZINC001254647516 969761738 /nfs/dbraw/zinc/76/17/38/969761738.db2.gz GZSKIJVPKDKRDD-RYUDHWBXSA-N 1 0 244.342 2.390 20 30 BEEDRO CCC[N@H+](CCOC)[C@H]1CC[C@@H](C#N)C1 ZINC001254652204 969763278 /nfs/dbraw/zinc/76/32/78/969763278.db2.gz BGHSQYDGAAALOF-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2ccccc2)C1 ZINC001254655098 969764743 /nfs/dbraw/zinc/76/47/43/969764743.db2.gz YOYHEWJMIKYJSX-HUUCEWRRSA-N 1 0 244.338 2.173 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCc3cnccc3C2)C1 ZINC001254659962 969767525 /nfs/dbraw/zinc/76/75/25/969767525.db2.gz FLQBBJMMZVRUAV-BXUZGUMPSA-N 1 0 227.311 2.132 20 30 BEEDRO C[N@H+](C1CC(F)(F)C1)[C@H]1CC[C@H](C#N)C1 ZINC001254660486 969770706 /nfs/dbraw/zinc/77/07/06/969770706.db2.gz IRILFGPFBXVEHN-IUCAKERBSA-N 1 0 214.259 2.408 20 30 BEEDRO C/C(=N\O)c1ccc(NCC[C@H]2CCC[NH2+]2)cc1 ZINC001169570071 969769598 /nfs/dbraw/zinc/76/95/98/969769598.db2.gz XBSPTZSHXRTYKQ-VVBXCHJUSA-N 1 0 247.342 2.439 20 30 BEEDRO N#C[C@H]1CC[C@H]([N@H+]2CCc3cc(O)ccc3C2)C1 ZINC001254660146 969771023 /nfs/dbraw/zinc/77/10/23/969771023.db2.gz VPBLRXLIYYOVJZ-FZMZJTMJSA-N 1 0 242.322 2.443 20 30 BEEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCC[C@@]1(C)O ZINC001254660137 969772313 /nfs/dbraw/zinc/77/23/13/969772313.db2.gz GFZOQSHOTJVTCA-XJFOESAGSA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(S)CC2)C1 ZINC001254671228 969778539 /nfs/dbraw/zinc/77/85/39/969778539.db2.gz PYGVXNWCZNTKOW-ZJUUUORDSA-N 1 0 210.346 2.073 20 30 BEEDRO Cc1cnc2c(c1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CC2 ZINC001254677535 969784133 /nfs/dbraw/zinc/78/41/33/969784133.db2.gz UTZOTDPBSNQALA-GXTWGEPZSA-N 1 0 241.338 2.440 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CC3CCN(CC3)C2)CC1 ZINC001254839593 969802328 /nfs/dbraw/zinc/80/23/28/969802328.db2.gz TYOKSXQUCUOGQN-RBSFLKMASA-N 1 0 247.386 2.143 20 30 BEEDRO CCc1cc(Nc2cccnc2C#N)cc[nH+]1 ZINC001210143299 969811164 /nfs/dbraw/zinc/81/11/64/969811164.db2.gz YQYLTQZYYANDPM-UHFFFAOYSA-N 1 0 224.267 2.076 20 30 BEEDRO CN(c1cc(N)cc[nH+]1)C1=CC(=O)CC(C)(C)C1 ZINC001210150973 969813756 /nfs/dbraw/zinc/81/37/56/969813756.db2.gz VEVTYIRTTDDXPI-UHFFFAOYSA-N 1 0 245.326 2.373 20 30 BEEDRO C[NH+](C)CCC(C)(C)Nc1cc(C#N)ccn1 ZINC001169711278 969829187 /nfs/dbraw/zinc/82/91/87/969829187.db2.gz IANREHPHRANJMA-UHFFFAOYSA-N 1 0 232.331 2.095 20 30 BEEDRO Cc1cc(-n2c(N)[nH+]c3ccccc32)cnc1C#N ZINC001210201285 969829446 /nfs/dbraw/zinc/82/94/46/969829446.db2.gz OIJCBHVUALPWBC-UHFFFAOYSA-N 1 0 249.277 2.183 20 30 BEEDRO C=CCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC1CC1 ZINC001109046771 969922352 /nfs/dbraw/zinc/92/23/52/969922352.db2.gz YQXQXPVCNSHOJP-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO Cn1cc[nH+]c1Nc1ccc(F)cc1C#N ZINC001210550863 969933799 /nfs/dbraw/zinc/93/37/99/969933799.db2.gz BRYKXLCMESITOT-UHFFFAOYSA-N 1 0 216.219 2.174 20 30 BEEDRO C#C[C@H](C)[NH2+]C1CC(C)(C)N(O)C(C)(C)C1 ZINC001169981616 969934829 /nfs/dbraw/zinc/93/48/29/969934829.db2.gz YFYDDWICAPTECN-JTQLQIEISA-N 1 0 224.348 2.009 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1ccc2c(c1)OCO2 ZINC001255150580 969954061 /nfs/dbraw/zinc/95/40/61/969954061.db2.gz WONYMXKHRRYVGI-LBPRGKRZSA-N 1 0 246.310 2.240 20 30 BEEDRO CC[C@@H](CC#N)Nc1ccc(CC[NH3+])cc1 ZINC001255151426 969956241 /nfs/dbraw/zinc/95/62/41/969956241.db2.gz AVTIBTVHEJWMIW-LBPRGKRZSA-N 1 0 217.316 2.292 20 30 BEEDRO CC[C@@H](CC#N)n1c2ccccc2nc1C[NH3+] ZINC001255152104 969956982 /nfs/dbraw/zinc/95/69/82/969956982.db2.gz MVDIKTWJXWOHQH-JTQLQIEISA-N 1 0 228.299 2.360 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCc2ccccc2[C@H]1O ZINC001255154068 969959780 /nfs/dbraw/zinc/95/97/80/969959780.db2.gz ATOKVVRCNSLVEW-BPLDGKMQSA-N 1 0 244.338 2.317 20 30 BEEDRO CC[C@@H](CC#N)N(C(N)=[NH2+])c1ccccc1 ZINC001255154827 969963284 /nfs/dbraw/zinc/96/32/84/969963284.db2.gz GYQQXFGEQDXULH-JTQLQIEISA-N 1 0 216.288 2.079 20 30 BEEDRO CC[C@H](CC#N)NC1CC[NH+](C2CCC2)CC1 ZINC001255156525 969964981 /nfs/dbraw/zinc/96/49/81/969964981.db2.gz LOFKBFQYENPEGQ-GFCCVEGCSA-N 1 0 235.375 2.285 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC001255160953 969969906 /nfs/dbraw/zinc/96/99/06/969969906.db2.gz SEJAOFIGOIWIOM-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C1(CC)CCOCC1 ZINC001255162117 969970270 /nfs/dbraw/zinc/97/02/70/969970270.db2.gz HWPKYLDEPNXYGS-LLVKDONJSA-N 1 0 210.321 2.227 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCCC(=O)c1cccnc1 ZINC001255163262 969971686 /nfs/dbraw/zinc/97/16/86/969971686.db2.gz FFCORYDBEJRXQH-ZDUSSCGKSA-N 1 0 245.326 2.326 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H](C)[C@](C)(O)CC1 ZINC001255163618 969974026 /nfs/dbraw/zinc/97/40/26/969974026.db2.gz BCWKWBNQEFAMEC-JHJVBQTASA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001255163588 969974123 /nfs/dbraw/zinc/97/41/23/969974123.db2.gz AMOCSHUXAKNUOA-XQQFMLRXSA-N 1 0 222.332 2.180 20 30 BEEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](CC)CC#N)C1 ZINC001255165279 969976470 /nfs/dbraw/zinc/97/64/70/969976470.db2.gz WKOPABPKCJTAGZ-GRYCIOLGSA-N 1 0 238.331 2.000 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@@]2(C1)CCCCO2 ZINC001255166193 969980346 /nfs/dbraw/zinc/98/03/46/969980346.db2.gz HIQMRDMMYXCYKK-QWHCGFSZSA-N 1 0 222.332 2.324 20 30 BEEDRO CC[C@@H](CC#N)[N@@H+]1CC[C@H]2O[C@@H](C)C[C@H]2C1 ZINC001255168051 969981425 /nfs/dbraw/zinc/98/14/25/969981425.db2.gz MFGGNVMYIBSSSI-ZDEQEGDKSA-N 1 0 222.332 2.178 20 30 BEEDRO CC[C@@H](CC#N)[N@H+]1[C@@H]2CC[C@H]1C[C@H](C#N)C2 ZINC001255172474 969984629 /nfs/dbraw/zinc/98/46/29/969984629.db2.gz ATRXKMPOTWZQGW-ZDEQEGDKSA-N 1 0 217.316 2.445 20 30 BEEDRO CC[C@@H](CC#N)N(CC)CC[NH+]1CCCCC1 ZINC001255174995 969989285 /nfs/dbraw/zinc/98/92/85/969989285.db2.gz LHDFQVDVEVURFG-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO CC[C@H](CC#N)N1CC[N@H+](C(C)C)[C@@H](C)C1 ZINC001255176860 969992293 /nfs/dbraw/zinc/99/22/93/969992293.db2.gz HDYAHBQTCXPJLA-QWHCGFSZSA-N 1 0 223.364 2.093 20 30 BEEDRO Cc1cnccc1NC1=CC(=O)C[C@@H](C)C1 ZINC001210765518 970015795 /nfs/dbraw/zinc/01/57/95/970015795.db2.gz DSNNYMZBLRRTHT-VIFPVBQESA-N 1 0 216.284 2.107 20 30 BEEDRO C=C(C)C[NH2+]C1(CNC(=O)CC)CCCCC1 ZINC001115370047 970075281 /nfs/dbraw/zinc/07/52/81/970075281.db2.gz AGZRWKQSYALSTR-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)CC)CCCCC1 ZINC001115370077 970075883 /nfs/dbraw/zinc/07/58/83/970075883.db2.gz BSYFQJOFUAJUQH-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO Cc1[nH+]cn(C)c1Nc1ccccc1OCC#N ZINC001212598490 970083648 /nfs/dbraw/zinc/08/36/48/970083648.db2.gz XDFVQDZHHJDQPM-UHFFFAOYSA-N 1 0 242.282 2.375 20 30 BEEDRO C=CCN1CCC[C@@H]([NH2+][C@@H](C)CCCC)C1=O ZINC001255317839 970089782 /nfs/dbraw/zinc/08/97/82/970089782.db2.gz SQDKUPBVHBUURD-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO CN(c1ccc(OCCC#N)cc1)C(C)(C)C[NH3+] ZINC001170059421 970113355 /nfs/dbraw/zinc/11/33/55/970113355.db2.gz KBVAPIHSYZUYPH-UHFFFAOYSA-N 1 0 247.342 2.153 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCN(C(=O)C(C)C)CC1 ZINC001112612311 970123238 /nfs/dbraw/zinc/12/32/38/970123238.db2.gz PITQAGJKEGIKRH-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC[NH+]1CCN(C(=O)CCCC)CC1 ZINC001112622354 970124492 /nfs/dbraw/zinc/12/44/92/970124492.db2.gz HXJLSHWDJUAQDS-UHFFFAOYSA-N 1 0 238.375 2.287 20 30 BEEDRO N#CCN[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255377006 970126481 /nfs/dbraw/zinc/12/64/81/970126481.db2.gz DLTXMFPHWNIEMP-HNNXBMFYSA-N 1 0 243.354 2.154 20 30 BEEDRO N#CCN[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC001255377017 970128262 /nfs/dbraw/zinc/12/82/62/970128262.db2.gz DLTXMFPHWNIEMP-OAHLLOKOSA-N 1 0 243.354 2.154 20 30 BEEDRO C#Cc1ccc(Nc2c[nH+]cn2C)cc1F ZINC001211253263 970197598 /nfs/dbraw/zinc/19/75/98/970197598.db2.gz CTJMLLBBHPTEEX-UHFFFAOYSA-N 1 0 215.231 2.284 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)CCC(=C)C)CC1 ZINC001112904525 970206297 /nfs/dbraw/zinc/20/62/97/970206297.db2.gz XWGWORITVPCFFC-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO COc1c[nH+]ccc1Nc1cc(C#N)ccc1C ZINC001211263649 970212137 /nfs/dbraw/zinc/21/21/37/970212137.db2.gz YDKPITXDAZOTCX-UHFFFAOYSA-N 1 0 239.278 2.436 20 30 BEEDRO C/C(=C\C=C\N)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001170094445 970248400 /nfs/dbraw/zinc/24/84/00/970248400.db2.gz ORRIRXHHFQRLBP-ZRSOPRJESA-N 1 0 231.274 2.163 20 30 BEEDRO C#CCCC1(CC[NH2+][C@H]2CCOC(C)(C)C2)N=N1 ZINC001255534758 970302448 /nfs/dbraw/zinc/30/24/48/970302448.db2.gz HNLAGWMLGOCVTP-LBPRGKRZSA-N 1 0 249.358 2.499 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC001170112291 970324771 /nfs/dbraw/zinc/32/47/71/970324771.db2.gz IJXXVPKLWZNWTI-RDBSUJKOSA-N 1 0 222.376 2.415 20 30 BEEDRO C[C@H]1CC[C@@H]([NH2+]Cc2ncc(C#N)s2)C1 ZINC001170112340 970324927 /nfs/dbraw/zinc/32/49/27/970324927.db2.gz JGQRTMQSUFXQOA-DTWKUNHWSA-N 1 0 221.329 2.293 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC001170112289 970326355 /nfs/dbraw/zinc/32/63/55/970326355.db2.gz IJXXVPKLWZNWTI-MCIONIFRSA-N 1 0 222.376 2.415 20 30 BEEDRO COC[C@H](C)[NH2+]C(C)(C)c1ccc(C#N)cc1 ZINC001255557408 970333425 /nfs/dbraw/zinc/33/34/25/970333425.db2.gz SFMBYTGMAHWNNJ-NSHDSACASA-N 1 0 232.327 2.418 20 30 BEEDRO COC[C@@H](C)[NH2+]C12CCC(C#N)(CC1)CC2 ZINC001255559766 970338898 /nfs/dbraw/zinc/33/88/98/970338898.db2.gz ICZVJXQMNYCEEY-PNESKVBLSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CN(C(C)=O)C[C@H]1C ZINC001214009285 970413037 /nfs/dbraw/zinc/41/30/37/970413037.db2.gz NZEDULAONNQSGG-TZMCWYRMSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001214049924 970424391 /nfs/dbraw/zinc/42/43/91/970424391.db2.gz ZZJUOTFMBPYWHT-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)CCC)C[C@H]1C ZINC001214364252 970496201 /nfs/dbraw/zinc/49/62/01/970496201.db2.gz MXWDMEMXEHMZDV-JHJVBQTASA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC[N@@H+](C)CCN(C(=O)C1CC1)C(C)C ZINC001278889525 970516196 /nfs/dbraw/zinc/51/61/96/970516196.db2.gz XLNRWVYJWJTKLZ-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](Cc1ccc(F)cc1)[NH2+]CCS ZINC001255856900 970522353 /nfs/dbraw/zinc/52/23/53/970522353.db2.gz OSZVGRKOJTVJNI-SECBINFHSA-N 1 0 213.321 2.276 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+]C1CCCCCC1 ZINC001255881864 970543439 /nfs/dbraw/zinc/54/34/39/970543439.db2.gz WJDSUGBARCSOPR-UHFFFAOYSA-N 1 0 238.375 2.381 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC001170176276 970549207 /nfs/dbraw/zinc/54/92/07/970549207.db2.gz VAAPHKLTLQCOHC-JHJVBQTASA-N 1 0 209.333 2.336 20 30 BEEDRO CC[C@H]1C[C@@H]([NH2+]CC(C)(C)S)CCO1 ZINC001170177110 970552740 /nfs/dbraw/zinc/55/27/40/970552740.db2.gz FGJGUYZYVLKDCZ-UWVGGRQHSA-N 1 0 217.378 2.242 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCC[C@@H](C(=O)OC)C1 ZINC000304626748 970622368 /nfs/dbraw/zinc/62/23/68/970622368.db2.gz PZGJSSZFKGUJPC-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO C=CCOCc1cccc(NCC2C[NH+](C)C2)c1 ZINC001170257871 970642358 /nfs/dbraw/zinc/64/23/58/970642358.db2.gz BWVAJKINYVWACO-UHFFFAOYSA-N 1 0 246.354 2.363 20 30 BEEDRO C[C@@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000401224220 970667065 /nfs/dbraw/zinc/66/70/65/970667065.db2.gz JONWGCVHLSNPMM-AGIUHOORSA-N 1 0 243.354 2.129 20 30 BEEDRO C[C@@H]1[C@H](C)[NH2+]C[C@H](C)N1Cc1ccccc1C#N ZINC000401232733 970670428 /nfs/dbraw/zinc/67/04/28/970670428.db2.gz OQEDHTRTSPGVFH-RWMBFGLXSA-N 1 0 243.354 2.129 20 30 BEEDRO C[C@H]1C[NH2+][C@@H](C)[C@H](C)N1Cc1ccc(C#N)cc1 ZINC000401224222 970670642 /nfs/dbraw/zinc/67/06/42/970670642.db2.gz JONWGCVHLSNPMM-AVGNSLFASA-N 1 0 243.354 2.129 20 30 BEEDRO C=CCCCNc1cc[nH+]c(N2CCOCC2)c1 ZINC001170299635 970681531 /nfs/dbraw/zinc/68/15/31/970681531.db2.gz IPMLRNRELRGKKY-UHFFFAOYSA-N 1 0 247.342 2.296 20 30 BEEDRO CC(C)(S)CNc1ccc2c([nH+]1)NCCO2 ZINC001170307325 970715826 /nfs/dbraw/zinc/71/58/26/970715826.db2.gz VAWOIMKDQNNIOF-UHFFFAOYSA-N 1 0 239.344 2.006 20 30 BEEDRO C=CC[NH2+][C@@H]1CN(C(=O)C/C=C(/C)C=C)C[C@H]1C ZINC001215340548 970718224 /nfs/dbraw/zinc/71/82/24/970718224.db2.gz YUSMTMJFNHYSEQ-PISUUVGWSA-N 1 0 248.370 2.131 20 30 BEEDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1C#N ZINC000305268256 970719527 /nfs/dbraw/zinc/71/95/27/970719527.db2.gz ZHEIZEBZXLUHGY-CHWSQXEVSA-N 1 0 244.338 2.151 20 30 BEEDRO CCCCCCC[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000401816184 970733893 /nfs/dbraw/zinc/73/38/93/970733893.db2.gz XMUMVVRGAMKFRS-AWEZNQCLSA-N 1 0 243.391 2.430 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](CC)Cc1ccc2c(c1)OCO2 ZINC001170417432 970741033 /nfs/dbraw/zinc/74/10/33/970741033.db2.gz KMVYRHNWTVLGKF-WCQYABFASA-N 1 0 245.322 2.348 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OCCC=C(C)C)CC1 ZINC001327447947 972580336 /nfs/dbraw/zinc/58/03/36/972580336.db2.gz RUUMJSRAUFKFMF-UHFFFAOYSA-N 1 0 249.354 2.231 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2cccc(N)c2)C1 ZINC001327519271 972608419 /nfs/dbraw/zinc/60/84/19/972608419.db2.gz LLWCUUCLESLGBQ-CQSZACIVSA-N 1 0 232.327 2.046 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CC3(F)F)C2)nc1 ZINC001144154000 972632728 /nfs/dbraw/zinc/63/27/28/972632728.db2.gz VCWMTFXMVVRXTP-PWSUYJOCSA-N 1 0 249.264 2.040 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144185294 972676095 /nfs/dbraw/zinc/67/60/95/972676095.db2.gz ADPVXEYNAZPKBX-GFCCVEGCSA-N 1 0 239.322 2.408 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3cc[nH]c3n2)C1 ZINC001144185295 972678488 /nfs/dbraw/zinc/67/84/88/972678488.db2.gz ADPVXEYNAZPKBX-LBPRGKRZSA-N 1 0 239.322 2.408 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccccc1CC ZINC000320605369 972713296 /nfs/dbraw/zinc/71/32/96/972713296.db2.gz FULVNZHCMGORNT-AWEZNQCLSA-N 1 0 219.328 2.276 20 30 BEEDRO C=C(C)CCC(=O)N1C[C@H]([NH2+]CCC)[C@@H](C)C1 ZINC001327868773 972769991 /nfs/dbraw/zinc/76/99/91/972769991.db2.gz RLXYWBWRGXOUCC-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C[C@H](Cc1cccc(C#N)c1)[NH2+]C[C@@H]1CCCO1 ZINC001171175101 972802686 /nfs/dbraw/zinc/80/26/86/972802686.db2.gz HKKIOEZNEHNZCS-DOMZBBRYSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CC1 ZINC001171175340 972802914 /nfs/dbraw/zinc/80/29/14/972802914.db2.gz JPBNTNCLOKVPQD-NSHDSACASA-N 1 0 214.312 2.489 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]C[C@H]1CCOC1 ZINC001171181778 972812233 /nfs/dbraw/zinc/81/22/33/972812233.db2.gz PLTCWPDOHKFRFZ-SWLSCSKDSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)n1ccc(C[NH3+])n1 ZINC001171181227 972820753 /nfs/dbraw/zinc/82/07/53/972820753.db2.gz ILCSYMDRNZNFOV-NSHDSACASA-N 1 0 240.310 2.017 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+]CC1CSC1 ZINC001171185909 972828374 /nfs/dbraw/zinc/82/83/74/972828374.db2.gz SRNIESSYGPMCRW-NSHDSACASA-N 1 0 246.379 2.442 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1cccc(C#N)c1 ZINC001171190923 972837617 /nfs/dbraw/zinc/83/76/17/972837617.db2.gz ZGOIDJAQEGOSBH-NEPJUHHUSA-N 1 0 212.296 2.101 20 30 BEEDRO C#CC1([NH2+][C@H](C)Cc2cccc(C#N)c2)CC1 ZINC001171193093 972841024 /nfs/dbraw/zinc/84/10/24/972841024.db2.gz ROHNUHBJOWDHNA-GFCCVEGCSA-N 1 0 224.307 2.245 20 30 BEEDRO CC(C)([NH3+])CNc1ccc2nc(C#N)ccc2c1 ZINC001171194432 972847793 /nfs/dbraw/zinc/84/77/93/972847793.db2.gz NHLVWLCJYCFMQO-UHFFFAOYSA-N 1 0 240.310 2.256 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)CCSC)cc1 ZINC001144578766 972871383 /nfs/dbraw/zinc/87/13/83/972871383.db2.gz NRYFEFKNXRWYMD-UHFFFAOYSA-N 1 0 219.353 2.463 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1 ZINC001144567283 972873104 /nfs/dbraw/zinc/87/31/04/972873104.db2.gz HENOUQNRMVFGGN-HNNXBMFYSA-N 1 0 229.323 2.015 20 30 BEEDRO C#Cc1ccc(CN2CCC(=O)[C@@H](F)CC2)cc1 ZINC001144568457 972878154 /nfs/dbraw/zinc/87/81/54/972878154.db2.gz VRTPZSOQZRNBCC-AWEZNQCLSA-N 1 0 245.297 2.171 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH2+][C@]1(C)CCOC1 ZINC001171202294 972897850 /nfs/dbraw/zinc/89/78/50/972897850.db2.gz YRNMLEDUMJCFPE-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1cccc(C#N)c1)[NH+]1CCC1 ZINC001171203644 972910538 /nfs/dbraw/zinc/91/05/38/972910538.db2.gz ODYSAXSZQBYTHN-NSHDSACASA-N 1 0 200.285 2.195 20 30 BEEDRO COCC1C[NH+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171203285 972916260 /nfs/dbraw/zinc/91/62/60/972916260.db2.gz LCDIWCANXPTCRT-GFCCVEGCSA-N 1 0 244.338 2.067 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCCC[C@](F)(CN)C1 ZINC001246580925 972943875 /nfs/dbraw/zinc/94/38/75/972943875.db2.gz OHKSLJYXCZUBKQ-STQMWFEESA-N 1 0 228.355 2.494 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@H](C)Cc2cccc(C#N)c2)C1 ZINC001171208985 972944077 /nfs/dbraw/zinc/94/40/77/972944077.db2.gz GWYFXWRNDNHBFR-DOMZBBRYSA-N 1 0 244.338 2.210 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](c2ccncc2)C1 ZINC000846908530 973058189 /nfs/dbraw/zinc/05/81/89/973058189.db2.gz VKFPNNSZRNZBBU-AWEZNQCLSA-N 1 0 214.312 2.284 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)C ZINC001328440300 973062241 /nfs/dbraw/zinc/06/22/41/973062241.db2.gz CTEAOTZVOGZGHU-NSHDSACASA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(O)c(F)c1 ZINC000232423606 973077476 /nfs/dbraw/zinc/07/74/76/973077476.db2.gz VTPCOLMFUIULEX-UHFFFAOYSA-N 1 0 239.290 2.214 20 30 BEEDRO Cc1ccc(N[C@@H](C[NH3+])C(C)(C)C)nc1C#N ZINC001160913655 973125132 /nfs/dbraw/zinc/12/51/32/973125132.db2.gz WDUKNEUAYFBKGW-NSHDSACASA-N 1 0 232.331 2.047 20 30 BEEDRO C=CCN(Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC001246841126 973141515 /nfs/dbraw/zinc/14/15/15/973141515.db2.gz TVJDPQJGBMCKOO-OAHLLOKOSA-N 1 0 230.355 2.427 20 30 BEEDRO C#CC[NH2+][C@@H]1CCc2c(Cl)ccc(OC)c2C1 ZINC001171290773 973316350 /nfs/dbraw/zinc/31/63/50/973316350.db2.gz BAZMQJQAUVGXAJ-SNVBAGLBSA-N 1 0 249.741 2.429 20 30 BEEDRO C=C(C)CCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC ZINC001328736951 973320127 /nfs/dbraw/zinc/32/01/27/973320127.db2.gz MJRASVPNHGQINP-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cccc(C#N)n1 ZINC001328831312 973363057 /nfs/dbraw/zinc/36/30/57/973363057.db2.gz XQQGDYGFKCZDQT-CHWSQXEVSA-N 1 0 244.342 2.238 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)[C@H](C)[NH2+]C(C)C ZINC001329103314 973484152 /nfs/dbraw/zinc/48/41/52/973484152.db2.gz JPWRDTLCBLGMRR-NWDGAFQWSA-N 1 0 240.391 2.480 20 30 BEEDRO C#CCOCC[N@@H+](C)Cc1ccc(C)c(F)c1 ZINC001329137021 973506146 /nfs/dbraw/zinc/50/61/46/973506146.db2.gz FPOFJMRUQMHTBQ-UHFFFAOYSA-N 1 0 235.302 2.216 20 30 BEEDRO C=CCCCCOC1CC[NH+](CCOC)CC1 ZINC001224335359 973563281 /nfs/dbraw/zinc/56/32/81/973563281.db2.gz QYVYEYDNPOBUBL-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CCCO[C@H]1CC[C@@H]([NH+]2CCOCC2)CC1 ZINC001224339003 973571219 /nfs/dbraw/zinc/57/12/19/973571219.db2.gz BFIIRMVURQOLQY-OKILXGFUSA-N 1 0 239.359 2.223 20 30 BEEDRO CC#CCO[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001224357610 973593261 /nfs/dbraw/zinc/59/32/61/973593261.db2.gz QLICMEPRUMBBDG-OAHLLOKOSA-N 1 0 229.323 2.301 20 30 BEEDRO C#C[C@H](OCC1CC[NH+](C)CC1)c1ccncc1 ZINC001224455053 973657432 /nfs/dbraw/zinc/65/74/32/973657432.db2.gz SYYBMAXGWNOIDK-HNNXBMFYSA-N 1 0 244.338 2.114 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@@H](C)CCC(C)(C)C ZINC001147787451 973765733 /nfs/dbraw/zinc/76/57/33/973765733.db2.gz VVDYWRKTWLMRET-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C[C@H](C)CC ZINC001147860973 973779395 /nfs/dbraw/zinc/77/93/95/973779395.db2.gz MRVBARWVBBQGDQ-ZYHUDNBSSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)CC(C)C ZINC001224579301 973788841 /nfs/dbraw/zinc/78/88/41/973788841.db2.gz CTKLTQXOKWWGRB-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CC1(C)CC1 ZINC001329501635 973804733 /nfs/dbraw/zinc/80/47/33/973804733.db2.gz HZZNXXQFPUTNHB-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC001329521899 973809229 /nfs/dbraw/zinc/80/92/29/973809229.db2.gz LVFSZPMHCNNEAD-WPRPVWTQSA-N 1 0 219.275 2.211 20 30 BEEDRO C=CC[NH2+]CCNC(=O)[C@H]1CC[C@H](CC)CC1 ZINC001148501374 973850087 /nfs/dbraw/zinc/85/00/87/973850087.db2.gz MBVIEAOPCAMRDM-JOCQHMNTSA-N 1 0 238.375 2.095 20 30 BEEDRO N#CCC[NH2+][C@H]1CCc2c(F)cc(F)cc2C1 ZINC001171334646 973864328 /nfs/dbraw/zinc/86/43/28/973864328.db2.gz UUAHHVCMGZLCGS-NSHDSACASA-N 1 0 236.265 2.325 20 30 BEEDRO CC#C[C@H](CC)OC[C@H]1CCCC[N@@H+]1C ZINC001224705194 973871327 /nfs/dbraw/zinc/87/13/27/973871327.db2.gz DOESADWJLZYGLO-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO CC(C)CON=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC001329730807 973897543 /nfs/dbraw/zinc/89/75/43/973897543.db2.gz IFSMHCIWLVOMLD-LBPRGKRZSA-N 1 0 242.388 2.226 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)C[C@H](C)C(C)(C)C ZINC001148999765 973898503 /nfs/dbraw/zinc/89/85/03/973898503.db2.gz JUFXSJSUPJKKDA-LBPRGKRZSA-N 1 0 240.391 2.341 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171347801 973935243 /nfs/dbraw/zinc/93/52/43/973935243.db2.gz AJTALWBECXBYPD-BXKDBHETSA-N 1 0 235.277 2.433 20 30 BEEDRO C#CCC[NH2+][C@@H]1CCc2c(F)cc(F)cc2C1 ZINC001171348913 973935902 /nfs/dbraw/zinc/93/59/02/973935902.db2.gz FZOURIBTRUQSHI-GFCCVEGCSA-N 1 0 235.277 2.435 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)c1ccc(CC)cc1 ZINC001149674947 973994539 /nfs/dbraw/zinc/99/45/39/973994539.db2.gz NFVKKDWDCKXDDI-UHFFFAOYSA-N 1 0 246.354 2.145 20 30 BEEDRO C#CC[N@@H+](C)[C@@H]1CCc2c(F)cccc2C1 ZINC001171436883 974062940 /nfs/dbraw/zinc/06/29/40/974062940.db2.gz HFUJTYZIUVFJGF-GFCCVEGCSA-N 1 0 217.287 2.248 20 30 BEEDRO C#Cc1cccnc1NC[C@H]1CCC[N@@H+](CC)C1 ZINC001329975734 974064486 /nfs/dbraw/zinc/06/44/86/974064486.db2.gz HVAGYJGOLOQFAU-CYBMUJFWSA-N 1 0 243.354 2.207 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)[C@H](C)CC)CC1 ZINC001277006687 974071500 /nfs/dbraw/zinc/07/15/00/974071500.db2.gz KQGZVKNLHWLYAW-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1ccccc1C ZINC001330027520 974077440 /nfs/dbraw/zinc/07/74/40/974077440.db2.gz OMKFOIQJIIXVBU-NSHDSACASA-N 1 0 215.300 2.343 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](OCC2(C#N)CC2)C1 ZINC001224949068 974093577 /nfs/dbraw/zinc/09/35/77/974093577.db2.gz XCQFXDRLYRSMLS-LBPRGKRZSA-N 1 0 222.332 2.180 20 30 BEEDRO Cn1ccc(N=NC2CCC(C)([NH+](C)C)CC2)n1 ZINC001330108004 974110427 /nfs/dbraw/zinc/11/04/27/974110427.db2.gz FKLXTLPWFQMEBV-UHFFFAOYSA-N 1 0 249.362 2.082 20 30 BEEDRO C[C@H](C#N)N(C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171640308 974133322 /nfs/dbraw/zinc/13/33/22/974133322.db2.gz BTVCCIXGNQKVHT-LLVKDONJSA-N 1 0 237.391 2.482 20 30 BEEDRO C#CC[N@@H+](Cc1cnn(C2CCC2)c1)CC1CC1 ZINC001334138778 1169973823 /nfs/dbraw/zinc/97/38/23/1169973823.db2.gz GETKMBDARYENFD-UHFFFAOYSA-N 1 0 243.354 2.453 20 30 BEEDRO C=CCC[NH2+]CCCNC(=O)c1ccc(C)cc1 ZINC001171889812 974206619 /nfs/dbraw/zinc/20/66/19/974206619.db2.gz FYWQLMGYYVUACK-UHFFFAOYSA-N 1 0 246.354 2.281 20 30 BEEDRO C#CCC[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC001171941052 974224763 /nfs/dbraw/zinc/22/47/63/974224763.db2.gz JNEVNXNRSCOWGJ-UHFFFAOYSA-N 1 0 237.343 2.111 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(F)n1)CC1CC1 ZINC001330560808 974311804 /nfs/dbraw/zinc/31/18/04/974311804.db2.gz YALBBWNZFOJBNN-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](C[C@@H]2C[C@H]3C[C@H]3C2)C1 ZINC001330577532 974329413 /nfs/dbraw/zinc/32/94/13/974329413.db2.gz JIROBVSYHSAWIF-CRWXNKLISA-N 1 0 221.344 2.309 20 30 BEEDRO C[N@H+]1[C@@H]2CCC[C@H]1C[C@@H](N1CCC[C@@H](C#N)C1)C2 ZINC001172124634 974351756 /nfs/dbraw/zinc/35/17/56/974351756.db2.gz MGYKTOXLFRYXFY-BYNSBNAKSA-N 1 0 247.386 2.237 20 30 BEEDRO C=CC[N@H+](Cc1nccnc1C)C(C)C ZINC001330639911 974382933 /nfs/dbraw/zinc/38/29/33/974382933.db2.gz VQWZDHJIHAJMLE-UHFFFAOYSA-N 1 0 205.305 2.181 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CN2CC3(CC3)CC2=O)C1 ZINC001330665946 974397975 /nfs/dbraw/zinc/39/79/75/974397975.db2.gz OTGVTLPMZHLIRU-CYBMUJFWSA-N 1 0 248.370 2.245 20 30 BEEDRO C=C(C)C[N@@H+](CC)[C@H]1CCN2C(=O)CC[C@@H]2C1 ZINC001172178872 974436833 /nfs/dbraw/zinc/43/68/33/974436833.db2.gz IKGZMDGVOYFSIH-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C=C(C)C ZINC001330734355 974446596 /nfs/dbraw/zinc/44/65/96/974446596.db2.gz PSXWFMDYFNACCO-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172219811 974449749 /nfs/dbraw/zinc/44/97/49/974449749.db2.gz NZHWTWXLPMYJRV-LSPKCERGSA-N 1 0 234.343 2.368 20 30 BEEDRO N#C[C@H]1CCC[N@@H+](C2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC001172230323 974471691 /nfs/dbraw/zinc/47/16/91/974471691.db2.gz UUIWYIRLOPWTMX-FUDCBSFHSA-N 1 0 234.343 2.322 20 30 BEEDRO C#Cc1cccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)c1 ZINC001172231920 974472628 /nfs/dbraw/zinc/47/26/28/974472628.db2.gz BYNRUIHHFVEILV-MQVJKMGUSA-N 1 0 239.318 2.244 20 30 BEEDRO N#C[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C1C[C@H]2CC[C@@H](C1)O2 ZINC001172232080 974474564 /nfs/dbraw/zinc/47/45/64/974474564.db2.gz YQTVAIBTMURUQV-RLOQDJFYSA-N 1 0 246.354 2.463 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1CSc2ccccc2C1 ZINC001172193848 974481115 /nfs/dbraw/zinc/48/11/15/974481115.db2.gz PLKNGMCKOXAMPN-JQWIXIFHSA-N 1 0 217.337 2.315 20 30 BEEDRO C=CCC[NH2+]C1(CNC(=O)C[C@H](C)CC)CC1 ZINC001277043490 974484051 /nfs/dbraw/zinc/48/40/51/974484051.db2.gz ONTQNJXTXBETIR-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]CC1CC(=O)C1 ZINC001172302570 974517150 /nfs/dbraw/zinc/51/71/50/974517150.db2.gz MAIQWLCUFJKIPX-NSHDSACASA-N 1 0 242.322 2.058 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH+]1CC(C)C1 ZINC001172307127 974517359 /nfs/dbraw/zinc/51/73/59/974517359.db2.gz BTZARLXFWFNELD-GFCCVEGCSA-N 1 0 214.312 2.441 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@]1(C)CCOC1 ZINC001172306080 974518618 /nfs/dbraw/zinc/51/86/18/974518618.db2.gz WJLNZKOFTZZKFO-SWLSCSKDSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[N@H+](C)[C@@H]1CCOC1 ZINC001172317184 974524183 /nfs/dbraw/zinc/52/41/83/974524183.db2.gz CGCIMNALZYHZNH-SWLSCSKDSA-N 1 0 244.338 2.210 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[N@H+](C)C1(C)COC1 ZINC001172321141 974529681 /nfs/dbraw/zinc/52/96/81/974529681.db2.gz ZRZZQXMDKFKMEJ-GFCCVEGCSA-N 1 0 244.338 2.210 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2nc(C)c(C)cc2C#N)C1 ZINC001225529831 974541093 /nfs/dbraw/zinc/54/10/93/974541093.db2.gz XVOQCOOKJCZPFA-ZDUSSCGKSA-N 1 0 245.326 2.043 20 30 BEEDRO C#C[C@H](Oc1ccc(CC(=[NH2+])NO)cc1)C(C)C ZINC001225551224 974552256 /nfs/dbraw/zinc/55/22/56/974552256.db2.gz VKVNIYJIUAQDBO-ZDUSSCGKSA-N 1 0 246.310 2.222 20 30 BEEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+]Cc1ccon1 ZINC001172289994 974557185 /nfs/dbraw/zinc/55/71/85/974557185.db2.gz LQZBIJGGCPKBTO-NSHDSACASA-N 1 0 241.294 2.267 20 30 BEEDRO CC(C)[C@H](CO)[NH2+][C@@H](C)Cc1ccc(C#N)cc1 ZINC001172292403 974560328 /nfs/dbraw/zinc/56/03/28/974560328.db2.gz OWXPNBCTFGFDHN-WFASDCNBSA-N 1 0 246.354 2.096 20 30 BEEDRO C[C@H](Cc1ccc(C#N)cc1)[NH2+]C1CCOCC1 ZINC001172293175 974561891 /nfs/dbraw/zinc/56/18/91/974561891.db2.gz SLQYDTGVBZQCAM-GFCCVEGCSA-N 1 0 244.338 2.258 20 30 BEEDRO CC(C)[N@H+](CCN)[C@@H](C)Cc1ccc(C#N)cc1 ZINC001172294698 974564770 /nfs/dbraw/zinc/56/47/70/974564770.db2.gz KGPZOSLDUKFZIA-ZDUSSCGKSA-N 1 0 245.370 2.158 20 30 BEEDRO CCC(=O)C[NH2+][C@H](C)Cc1ccc(C#N)cc1 ZINC001172296967 974564858 /nfs/dbraw/zinc/56/48/58/974564858.db2.gz LYOMQDNKUYXWGB-LLVKDONJSA-N 1 0 230.311 2.058 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)/C(C)=C/C ZINC001225592532 974579170 /nfs/dbraw/zinc/57/91/70/974579170.db2.gz KXZDMGVFGLTKBW-PUZDAVHHSA-N 1 0 236.359 2.156 20 30 BEEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@H](F)C2)n1 ZINC001331083820 974594415 /nfs/dbraw/zinc/59/44/15/974594415.db2.gz RUFFWLWCSKCDCN-QWRGUYRKSA-N 1 0 233.290 2.324 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1cccnc1C#N ZINC001225669724 974637002 /nfs/dbraw/zinc/63/70/02/974637002.db2.gz ABCOCSWVFDUTPU-NSHDSACASA-N 1 0 233.315 2.062 20 30 BEEDRO CC(C)[NH+]1CCC(Oc2cccnc2C#N)CC1 ZINC001225673727 974639869 /nfs/dbraw/zinc/63/98/69/974639869.db2.gz YUXZXEBEWQZANS-UHFFFAOYSA-N 1 0 245.326 2.205 20 30 BEEDRO C[C@@H]1CC[C@@H](NC2(C#N)CC[NH+](C)CC2)C[C@H]1C ZINC001172368115 974647786 /nfs/dbraw/zinc/64/77/86/974647786.db2.gz NNWUGOXBQQXRAQ-MGPQQGTHSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@@H]1CC[C@@H](NC2(C#N)CC[NH+](C)CC2)C[C@@H]1C ZINC001172368113 974648962 /nfs/dbraw/zinc/64/89/62/974648962.db2.gz NNWUGOXBQQXRAQ-HZSPNIEDSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCC(CC=C)C(=O)NCC1([NH2+]CC)CC1 ZINC001277065928 974652968 /nfs/dbraw/zinc/65/29/68/974652968.db2.gz JWTQGJRMIUZCEH-UHFFFAOYSA-N 1 0 236.359 2.013 20 30 BEEDRO CC[C@H](CC(C)C)NC1(C#N)CC[NH+](C)CC1 ZINC001172402804 974653443 /nfs/dbraw/zinc/65/34/43/974653443.db2.gz XSWCIQRGHJNCDQ-CYBMUJFWSA-N 1 0 237.391 2.389 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC001172406571 974662971 /nfs/dbraw/zinc/66/29/71/974662971.db2.gz MZOBLARODGKNGD-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO CCOCC[C@@H](C)[NH2+]CC#Cc1ccccc1 ZINC001172413868 974679678 /nfs/dbraw/zinc/67/96/78/974679678.db2.gz KVAYCLNZBKJJFB-CQSZACIVSA-N 1 0 231.339 2.443 20 30 BEEDRO C[C@@H](C[NH+](C)C)Oc1ccc(F)c(C#N)c1 ZINC001225819801 974694045 /nfs/dbraw/zinc/69/40/45/974694045.db2.gz HQCVHOGYRXBRLM-VIFPVBQESA-N 1 0 222.263 2.026 20 30 BEEDRO C[C@H](C[NH+](C)C)Oc1ccc(F)c(C#N)c1 ZINC001225819799 974694249 /nfs/dbraw/zinc/69/42/49/974694249.db2.gz HQCVHOGYRXBRLM-SECBINFHSA-N 1 0 222.263 2.026 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C=C(C)C ZINC001331376493 974701621 /nfs/dbraw/zinc/70/16/21/974701621.db2.gz LREDYQYVUYGQAR-LLVKDONJSA-N 1 0 244.766 2.142 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CCC[C@H](C#N)CC1 ZINC001172429109 974705541 /nfs/dbraw/zinc/70/55/41/974705541.db2.gz SUMSZUHNDYAWRS-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C#CC1CC[NH+](C[C@H](OCC)C2CC2)CC1 ZINC001331399171 974706484 /nfs/dbraw/zinc/70/64/84/974706484.db2.gz ZHODVJQFYLMIBJ-AWEZNQCLSA-N 1 0 221.344 2.147 20 30 BEEDRO CCOCC[C@@H](C)[N@@H+]1CCC[C@H](CC#N)C1 ZINC001172429098 974708008 /nfs/dbraw/zinc/70/80/08/974708008.db2.gz SKMANKCQIMOFKC-CHWSQXEVSA-N 1 0 224.348 2.427 20 30 BEEDRO CCOCC[C@H](C)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC001172429101 974708404 /nfs/dbraw/zinc/70/84/04/974708404.db2.gz SKMANKCQIMOFKC-STQMWFEESA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H](C)CC ZINC001331428434 974718565 /nfs/dbraw/zinc/71/85/65/974718565.db2.gz XKEDZMROIKTQIK-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)C(C)(C)C ZINC001331487522 974739279 /nfs/dbraw/zinc/73/92/79/974739279.db2.gz GWXFOUSLWDGWFZ-NEPJUHHUSA-N 1 0 240.391 2.291 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@@H](CO)c1ccc(O)cc1 ZINC001172487353 974770740 /nfs/dbraw/zinc/77/07/40/974770740.db2.gz ASUQWXACNNNTEO-RISCZKNCSA-N 1 0 248.326 2.098 20 30 BEEDRO CCc1coc(C[NH2+][C@H](C)CCCC#N)n1 ZINC001172476250 974772334 /nfs/dbraw/zinc/77/23/34/974772334.db2.gz JEMAWDMHTDKNCH-SNVBAGLBSA-N 1 0 221.304 2.409 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1nccs1 ZINC001172477269 974774170 /nfs/dbraw/zinc/77/41/70/974774170.db2.gz YFZNWSTYHQKAMD-SNVBAGLBSA-N 1 0 223.345 2.358 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1cccnc1F ZINC001172479102 974776048 /nfs/dbraw/zinc/77/60/48/974776048.db2.gz JHZZIGKASBCIHH-SNVBAGLBSA-N 1 0 221.279 2.393 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H](CO)Cc1ccccc1 ZINC001172479075 974776615 /nfs/dbraw/zinc/77/66/15/974776615.db2.gz GUEMSGNCQHRVHC-DZGCQCFKSA-N 1 0 246.354 2.262 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@H]1c2ccccc2C[C@@H]1O ZINC001172479259 974776798 /nfs/dbraw/zinc/77/67/98/974776798.db2.gz HRBNKVVPLGTHQB-TUKIKUTGSA-N 1 0 244.338 2.317 20 30 BEEDRO CC(C)N1CC[C@H]([NH2+][C@H](C)CCCC#N)C1 ZINC001172480432 974779636 /nfs/dbraw/zinc/77/96/36/974779636.db2.gz UFHUURSUNZIOLR-OLZOCXBDSA-N 1 0 223.364 2.141 20 30 BEEDRO CSCCC[NH2+][C@H](C)CCCC#N ZINC001172481262 974780905 /nfs/dbraw/zinc/78/09/05/974780905.db2.gz RURJTENPGNGGSS-SNVBAGLBSA-N 1 0 200.351 2.411 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]Cc1ncc(Cl)cn1 ZINC001172483306 974785532 /nfs/dbraw/zinc/78/55/32/974785532.db2.gz OUILVCQHYVNWAI-SECBINFHSA-N 1 0 238.722 2.302 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC001172484694 974788970 /nfs/dbraw/zinc/78/89/70/974788970.db2.gz HRBNKVVPLGTHQB-CQDKDKBSSA-N 1 0 244.338 2.317 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+][C@@H](C)CCCC#N ZINC001172485664 974789502 /nfs/dbraw/zinc/78/95/02/974789502.db2.gz SCXNAWRPHVOJKE-NWDGAFQWSA-N 1 0 212.337 2.065 20 30 BEEDRO C[N@@H+]1CCC[C@@H](Oc2cccc(/C=N/O)c2)CC1 ZINC001226115209 974795670 /nfs/dbraw/zinc/79/56/70/974795670.db2.gz YDOBTHNPKKQRKT-WDGDVPDHSA-N 1 0 248.326 2.358 20 30 BEEDRO CC(C)OCC[C@@H](C)[N@@H+]1CCC[C@H](C#N)C1 ZINC001172448916 974812261 /nfs/dbraw/zinc/81/22/61/974812261.db2.gz QEYMAKHHWYYLTF-CHWSQXEVSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H]([NH3+])c1ccn([C@@H](C)CCCC#N)n1 ZINC001172487254 974828415 /nfs/dbraw/zinc/82/84/15/974828415.db2.gz GPUYMZSIAJAJNB-VHSXEESVSA-N 1 0 206.293 2.158 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCc1cncs1 ZINC001172488897 974833419 /nfs/dbraw/zinc/83/34/19/974833419.db2.gz NJWQEHSGGPKBSW-SNVBAGLBSA-N 1 0 223.345 2.358 20 30 BEEDRO COC(=O)CCCC[NH2+][C@@H](C)CCCC#N ZINC001172488369 974833802 /nfs/dbraw/zinc/83/38/02/974833802.db2.gz MBFLJTNJIXLYOB-NSHDSACASA-N 1 0 226.320 2.002 20 30 BEEDRO C[C@H](CCCC#N)[NH2+][C@H]1COC(C)(C)C1 ZINC001172489571 974834492 /nfs/dbraw/zinc/83/44/92/974834492.db2.gz VLXSTKXRZYEAHZ-GHMZBOCLSA-N 1 0 210.321 2.226 20 30 BEEDRO COc1cncc(C[NH2+][C@@H](C)CCCC#N)c1 ZINC001172489544 974834644 /nfs/dbraw/zinc/83/46/44/974834644.db2.gz UURLEMSSBYRMCF-NSHDSACASA-N 1 0 233.315 2.262 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]Cc1ccc(F)nc1 ZINC001172489225 974834842 /nfs/dbraw/zinc/83/48/42/974834842.db2.gz PCYUBBQRCLVMFR-JTQLQIEISA-N 1 0 221.279 2.393 20 30 BEEDRO COC(CCC[NH2+][C@@H](C)CCCC#N)OC ZINC001172489650 974834876 /nfs/dbraw/zinc/83/48/76/974834876.db2.gz XOFUSQIVWUERKJ-NSHDSACASA-N 1 0 228.336 2.057 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@H]1COC(C)(C)C1 ZINC001172489574 974835337 /nfs/dbraw/zinc/83/53/37/974835337.db2.gz VLXSTKXRZYEAHZ-WDEREUQCSA-N 1 0 210.321 2.226 20 30 BEEDRO C[C@H](CCCC#N)[NH2+]CCO[C@@H]1CCCCO1 ZINC001172489769 974835386 /nfs/dbraw/zinc/83/53/86/974835386.db2.gz ZMPIGVVLCMUCHU-CHWSQXEVSA-N 1 0 240.347 2.202 20 30 BEEDRO CCOc1cc(C[NH2+][C@@H](C)CCCC#N)ncn1 ZINC001172491256 974836849 /nfs/dbraw/zinc/83/68/49/974836849.db2.gz FQMKNRLDHXXMAA-NSHDSACASA-N 1 0 248.330 2.047 20 30 BEEDRO CC[N@@H+]1CC[C@@H](Oc2c(C#N)cccc2OC)C1 ZINC001226247243 974837267 /nfs/dbraw/zinc/83/72/67/974837267.db2.gz KKINSUYAFYTSAO-GFCCVEGCSA-N 1 0 246.310 2.040 20 30 BEEDRO CCOc1cc(C[NH2+][C@H](C)CCCC#N)ncn1 ZINC001172491253 974837561 /nfs/dbraw/zinc/83/75/61/974837561.db2.gz FQMKNRLDHXXMAA-LLVKDONJSA-N 1 0 248.330 2.047 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+]C[C@]1(C)CCOC1 ZINC001172490783 974838027 /nfs/dbraw/zinc/83/80/27/974838027.db2.gz AEDIUHJEYSMGCZ-RYUDHWBXSA-N 1 0 210.321 2.085 20 30 BEEDRO COCC1CC[NH+]([C@@H](C)CCCC#N)CC1 ZINC001172492214 974839203 /nfs/dbraw/zinc/83/92/03/974839203.db2.gz JNWFEGHLPKKPOI-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO CCN(CC)CC[N@H+](C)[C@H](C)CCCC#N ZINC001172492288 974840458 /nfs/dbraw/zinc/84/04/58/974840458.db2.gz JYKZKCRUIBLACY-CYBMUJFWSA-N 1 0 225.380 2.342 20 30 BEEDRO CCn1cnc(C[NH2+][C@H](C)CCCC#N)c1 ZINC001172493078 974841973 /nfs/dbraw/zinc/84/19/73/974841973.db2.gz SFPFNLKVKBEYGI-LLVKDONJSA-N 1 0 220.320 2.075 20 30 BEEDRO C[C@H](CCCC#N)[N@H+](C)CC(=O)OC(C)(C)C ZINC001172496364 974844069 /nfs/dbraw/zinc/84/40/69/974844069.db2.gz MFLHNLBRRMZAOU-LLVKDONJSA-N 1 0 240.347 2.342 20 30 BEEDRO Cc1nc2c(n1[C@@H](C)CCCC#N)CC[NH2+]CC2 ZINC001172496363 974844242 /nfs/dbraw/zinc/84/42/42/974844242.db2.gz MEYVVLHWDQDHAT-NSHDSACASA-N 1 0 246.358 2.135 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001172494699 974846180 /nfs/dbraw/zinc/84/61/80/974846180.db2.gz XKVJONZLXLFHQK-CHWSQXEVSA-N 1 0 224.348 2.306 20 30 BEEDRO C[C@@H](CCCC#N)[NH+]1CC2(C1)CCCOC2 ZINC001172496778 974847798 /nfs/dbraw/zinc/84/77/98/974847798.db2.gz QNYGCUWVHYWQOO-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001172496840 974848387 /nfs/dbraw/zinc/84/83/87/974848387.db2.gz SABWVEIWDAJEDC-FIQHERPVSA-N 1 0 210.296 2.359 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@H](C)N(C)C[C@H]1C ZINC001172496818 974849252 /nfs/dbraw/zinc/84/92/52/974849252.db2.gz ROJVJXZKAVGMQG-RWMBFGLXSA-N 1 0 223.364 2.093 20 30 BEEDRO CC[N@H+](CC(C)(C)O)[C@@H](C)CCCC#N ZINC001172499726 974850383 /nfs/dbraw/zinc/85/03/83/974850383.db2.gz ZUNOSDLPIPKGNM-NSHDSACASA-N 1 0 212.337 2.162 20 30 BEEDRO C[C@@H](CCCC#N)[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC001172499188 974851048 /nfs/dbraw/zinc/85/10/48/974851048.db2.gz BTBMAIKAGJYNDU-QNSTZXKLSA-N 1 0 234.343 2.178 20 30 BEEDRO C[NH2+]Cc1c(C)nn([C@@H](C)CCCC#N)c1C ZINC001172502206 974853311 /nfs/dbraw/zinc/85/33/11/974853311.db2.gz SZOFIRVVWVMMLF-JTQLQIEISA-N 1 0 234.347 2.474 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCN(C)C(C)(C)C1 ZINC001172500854 974853884 /nfs/dbraw/zinc/85/38/84/974853884.db2.gz PBKIPQLPKBABJF-LBPRGKRZSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@H](CCCC#N)N1CCC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001172500316 974853903 /nfs/dbraw/zinc/85/39/03/974853903.db2.gz LOJUTMQOHNMCJJ-RDBSUJKOSA-N 1 0 235.375 2.095 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1CCC(=O)C(C)(C)C1 ZINC001172500332 974854371 /nfs/dbraw/zinc/85/43/71/974854371.db2.gz MCVKITYGVYAMKI-NSHDSACASA-N 1 0 222.332 2.370 20 30 BEEDRO CC(=O)[C@@H]1CCC[N@H+]1[C@@H](C)CCCC#N ZINC001172504991 974859425 /nfs/dbraw/zinc/85/94/25/974859425.db2.gz KFTKAOOBVIYNTD-JQWIXIFHSA-N 1 0 208.305 2.122 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCOCC1(C)C ZINC001172503964 974857730 /nfs/dbraw/zinc/85/77/30/974857730.db2.gz CTZFPXCYEHEBNF-LLVKDONJSA-N 1 0 210.321 2.180 20 30 BEEDRO CCN1CC[N@@H+]([C@H](C)CCCC#N)C[C@H]1C ZINC001172504675 974859895 /nfs/dbraw/zinc/85/98/95/974859895.db2.gz HXMPVPHKSOOFBN-CHWSQXEVSA-N 1 0 223.364 2.095 20 30 BEEDRO CC[N@H+]([C@H](C)CCCC#N)C1CCN(C)CC1 ZINC001172506945 974860054 /nfs/dbraw/zinc/86/00/54/974860054.db2.gz MJJOJNSWPJKRAS-CYBMUJFWSA-N 1 0 237.391 2.485 20 30 BEEDRO CC(C)[N@H+](CCCO)[C@@H](C)CCCC#N ZINC001172504618 974860498 /nfs/dbraw/zinc/86/04/98/974860498.db2.gz HXXYOGXHOKRKFE-LBPRGKRZSA-N 1 0 212.337 2.162 20 30 BEEDRO CCC[NH+]1C[C@@H]2C[NH+]([C@@H](C)CCCC#N)C[C@H]2C1 ZINC001172508094 974861680 /nfs/dbraw/zinc/86/16/80/974861680.db2.gz BDSSJTONJVFYNE-RRFJBIMHSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001172508961 974862698 /nfs/dbraw/zinc/86/26/98/974862698.db2.gz ICFZVWWMURMNLZ-MCIONIFRSA-N 1 0 235.375 2.095 20 30 BEEDRO CCCC[NH+]1CCN([C@@H](C)CCCC#N)CC1 ZINC001172507128 974863637 /nfs/dbraw/zinc/86/36/37/974863637.db2.gz PNGBNVJFTGIDLQ-AWEZNQCLSA-N 1 0 237.391 2.486 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)/C(C)=C\CC)CC1 ZINC001226370259 974870413 /nfs/dbraw/zinc/87/04/13/974870413.db2.gz ZAIPKRDGZOAARY-SDQBBNPISA-N 1 0 236.359 2.109 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCC[C@H](C(=O)OC)C1 ZINC001172594626 974881557 /nfs/dbraw/zinc/88/15/57/974881557.db2.gz BRSSZKLOCKWYOW-OUCADQQQSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CC[NH+](CC=C)[C@H]1CCC[C@H](C(=O)OC)C1 ZINC001172614809 974887239 /nfs/dbraw/zinc/88/72/39/974887239.db2.gz DWCLEPBCMNEZPS-STQMWFEESA-N 1 0 237.343 2.392 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@H]([NH3+])CC1CC1 ZINC001331975371 974900669 /nfs/dbraw/zinc/90/06/69/974900669.db2.gz FIYWPZXPHDWAHP-GFCCVEGCSA-N 1 0 238.375 2.222 20 30 BEEDRO C[C@H]1C[NH+](CC2(C)CCCC2)C[C@H](C)N1CC#N ZINC001332022398 974923969 /nfs/dbraw/zinc/92/39/69/974923969.db2.gz WVYOPCIDFRWUMR-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@H]1CCc2ccc(C)cc2C1 ZINC001172833664 974952458 /nfs/dbraw/zinc/95/24/58/974952458.db2.gz AIJKJUTZFYRZFI-DOMZBBRYSA-N 1 0 213.324 2.464 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001332104681 974953526 /nfs/dbraw/zinc/95/35/26/974953526.db2.gz IMBMRNGRIAKIPA-KBPBESRZSA-N 1 0 239.359 2.080 20 30 BEEDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001172927787 974973700 /nfs/dbraw/zinc/97/37/00/974973700.db2.gz GQGPEHJGGJLCFD-NEPJUHHUSA-N 1 0 234.299 2.198 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH+]2CCC(S)CC2)C1 ZINC001172942501 974997835 /nfs/dbraw/zinc/99/78/35/974997835.db2.gz JRQMBSDMVVYEKY-QWRGUYRKSA-N 1 0 229.389 2.338 20 30 BEEDRO C[C@@H](C#C[Si](C)(C)C)Oc1cc[nH+]c(N)c1 ZINC001226653377 974999931 /nfs/dbraw/zinc/99/99/31/974999931.db2.gz ILYYQFVHBIPJHQ-JTQLQIEISA-N 1 0 234.375 2.312 20 30 BEEDRO Cc1cc(CNC(=[NH2+])Nc2ccccc2C)on1 ZINC000170911875 975010752 /nfs/dbraw/zinc/01/07/52/975010752.db2.gz XJSAMLFECRTWLG-UHFFFAOYSA-N 1 0 244.298 2.218 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001332234970 975018964 /nfs/dbraw/zinc/01/89/64/975018964.db2.gz FKLISYMVKAPHNM-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCc2ncsc2C1 ZINC001173121262 975028057 /nfs/dbraw/zinc/02/80/57/975028057.db2.gz MZPDSPRSQSRFOP-VIFPVBQESA-N 1 0 208.330 2.166 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)/C(C)=C/C)C1 ZINC001332253081 975029377 /nfs/dbraw/zinc/02/93/77/975029377.db2.gz KAYMHXVQTFJTAM-NRBOULDASA-N 1 0 236.359 2.013 20 30 BEEDRO C[C@]1(C#N)CC[N@@H+]([C@H]2CCc3ncsc3C2)C1 ZINC001173146984 975045110 /nfs/dbraw/zinc/04/51/10/975045110.db2.gz UDGIBGBVHSPHIO-GXFFZTMASA-N 1 0 247.367 2.236 20 30 BEEDRO C[C@H]1C[C@H]([N@@H+]2CCC[C@@H](C#N)CC2)CCO1 ZINC001173173697 975053050 /nfs/dbraw/zinc/05/30/50/975053050.db2.gz QDRQDEKLLKFFBT-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C(C)C(=O)NCCC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC001173261786 975113338 /nfs/dbraw/zinc/11/33/38/975113338.db2.gz CZQKWLLHRBIQPC-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC)C2 ZINC001095076042 975116755 /nfs/dbraw/zinc/11/67/55/975116755.db2.gz GOGRBXFBVFEUNR-AGIUHOORSA-N 1 0 236.359 2.084 20 30 BEEDRO CC[C@@H]1CC[C@@H](NC2(C#N)CC[NH+](C)CC2)C1 ZINC001173269214 975139273 /nfs/dbraw/zinc/13/92/73/975139273.db2.gz GRZVNEVKTFWAPG-CHWSQXEVSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C(C)CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1CC1)C2 ZINC001095079840 975161153 /nfs/dbraw/zinc/16/11/53/975161153.db2.gz BGCWQVAARGLUAH-RDBSUJKOSA-N 1 0 248.370 2.084 20 30 BEEDRO C=CCN1CCC[C@H]1C[NH2+][C@@H](C)CSCC ZINC001173294068 975173374 /nfs/dbraw/zinc/17/33/74/975173374.db2.gz CEXLCKSAPSQBLI-STQMWFEESA-N 1 0 242.432 2.368 20 30 BEEDRO CCSC[C@H](C)[NH2+]CC(C)(C)S ZINC001173297585 975187875 /nfs/dbraw/zinc/18/78/75/975187875.db2.gz VNEYECSKQMTRLY-QMMMGPOBSA-N 1 0 207.408 2.426 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H]2C[C@@H]2C)CC1 ZINC001173307970 975215023 /nfs/dbraw/zinc/21/50/23/975215023.db2.gz CDYQZOYRIQHVBF-YWPUVAFDSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCOC1CCC([NH2+]Cc2ccnn2C)CC1 ZINC001173308727 975218139 /nfs/dbraw/zinc/21/81/39/975218139.db2.gz MGRZKGHAPKBLAU-UHFFFAOYSA-N 1 0 249.358 2.024 20 30 BEEDRO C=CCOC1CCC([N@@H+](CCN)C(C)C)CC1 ZINC001173312195 975225290 /nfs/dbraw/zinc/22/52/90/975225290.db2.gz BYHUHZWHQOZTGR-UHFFFAOYSA-N 1 0 240.391 2.169 20 30 BEEDRO C=CCOC1CCC([NH2+][C@@H]2CCC[C@@H]2O)CC1 ZINC001173312339 975226038 /nfs/dbraw/zinc/22/60/38/975226038.db2.gz FSZFCPGQMLZUOK-PQAZSJQKSA-N 1 0 239.359 2.003 20 30 BEEDRO CCSC[C@@H](C)NC(=[NH2+])c1ccc(F)cn1 ZINC001173289289 975253331 /nfs/dbraw/zinc/25/33/31/975253331.db2.gz SNLJMTXIHMVBGN-MRVPVSSYSA-N 1 0 241.335 2.068 20 30 BEEDRO N#CCC1CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC001173325001 975273577 /nfs/dbraw/zinc/27/35/77/975273577.db2.gz ZBFFFWYGZKVSSK-BPCQOVAHSA-N 1 0 248.326 2.375 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]C2CCC(CC#N)CC2)C1 ZINC001173330100 975278290 /nfs/dbraw/zinc/27/82/90/975278290.db2.gz SVIGYTUVVOSTKQ-VNOJIWKOSA-N 1 0 222.332 2.226 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](NC(=O)CC)C(C)(C)C ZINC001332753856 975280428 /nfs/dbraw/zinc/28/04/28/975280428.db2.gz QAQLKODMNPDTCF-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO CC[N@@H+]1CC[C@H](N[C@H](C#N)c2ccc(F)cc2)C1 ZINC001173350325 975296267 /nfs/dbraw/zinc/29/62/67/975296267.db2.gz LCNUKJUZERYDHN-UONOGXRCSA-N 1 0 247.317 2.074 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@H](COC)C(C)C)C1 ZINC001332868597 975301312 /nfs/dbraw/zinc/30/13/12/975301312.db2.gz PDNNUKJUFLSVQY-ZIAGYGMSSA-N 1 0 241.375 2.182 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](C[C@@H](COC)C(C)C)C1 ZINC001332868596 975302131 /nfs/dbraw/zinc/30/21/31/975302131.db2.gz PDNNUKJUFLSVQY-UONOGXRCSA-N 1 0 241.375 2.182 20 30 BEEDRO C=CCOC1CCC([NH2+]CCCS)CC1 ZINC001173318063 975307733 /nfs/dbraw/zinc/30/77/33/975307733.db2.gz OMQFGCKMJGTDNB-UHFFFAOYSA-N 1 0 229.389 2.410 20 30 BEEDRO CC1(C)C[NH+](C[C@H](O)CC#N)CC(C)(C)C1 ZINC001332905235 975317971 /nfs/dbraw/zinc/31/79/71/975317971.db2.gz JYBACSDVHOJJLH-LLVKDONJSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1CC[C@H](C)SC1 ZINC001332946902 975336611 /nfs/dbraw/zinc/33/66/11/975336611.db2.gz PXMZPEDVKRIZGK-AXFHLTTASA-N 1 0 215.362 2.061 20 30 BEEDRO C=C[C@H](COC)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001333000773 975367221 /nfs/dbraw/zinc/36/72/21/975367221.db2.gz OQSVLELZEGZIAW-YVECIDJPSA-N 1 0 209.333 2.213 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Oc1cnc(C#N)c(C)c1 ZINC001227347542 975367896 /nfs/dbraw/zinc/36/78/96/975367896.db2.gz QVUTWXUWGJCVEK-GFCCVEGCSA-N 1 0 247.342 2.371 20 30 BEEDRO C#CC(C)(C)[NH2+]C1Cc2cc(F)c(F)cc2C1 ZINC001173474829 975382551 /nfs/dbraw/zinc/38/25/51/975382551.db2.gz IJUOKNAMIGURHM-UHFFFAOYSA-N 1 0 235.277 2.433 20 30 BEEDRO CC[C@@](C)(C#N)N[C@H](C)CCCCC(=O)OC ZINC001173454074 975396065 /nfs/dbraw/zinc/39/60/65/975396065.db2.gz PLYIUMVBDHZBGG-YPMHNXCESA-N 1 0 240.347 2.390 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)CC(CC)CC)CC1 ZINC001277209237 975408366 /nfs/dbraw/zinc/40/83/66/975408366.db2.gz MDWUTBWKZZGCGX-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO CC(C)(CCO)[NH2+]C1CCC(C)(C#N)CC1 ZINC001173586012 975425975 /nfs/dbraw/zinc/42/59/75/975425975.db2.gz DABZIYGTXTWJAA-UHFFFAOYSA-N 1 0 224.348 2.209 20 30 BEEDRO Cc1cnc(C[NH2+]C2CCC(C)(C#N)CC2)nc1 ZINC001173587186 975429754 /nfs/dbraw/zinc/42/97/54/975429754.db2.gz RENNAAZEILVFRY-UHFFFAOYSA-N 1 0 244.342 2.347 20 30 BEEDRO C[N@H+](C1CCC(C)(C#N)CC1)C(C)(C)CN ZINC001173588581 975432639 /nfs/dbraw/zinc/43/26/39/975432639.db2.gz LLQBMUNTPJMMJA-UHFFFAOYSA-N 1 0 223.364 2.128 20 30 BEEDRO C[C@@H]1CN(C)CC[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC001173592089 975439945 /nfs/dbraw/zinc/43/99/45/975439945.db2.gz FLUCUUKHXWIJAC-JLVJUDLZSA-N 1 0 249.402 2.389 20 30 BEEDRO CC1(C#N)CCC(Nc2cccnc2C[NH3+])CC1 ZINC001173591075 975445771 /nfs/dbraw/zinc/44/57/71/975445771.db2.gz RVOXHCNRYKDQQP-UHFFFAOYSA-N 1 0 244.342 2.425 20 30 BEEDRO CO[C@@H]1C[N@@H+](C2CCC(C)(C#N)CC2)C[C@@H]1F ZINC001173592725 975445804 /nfs/dbraw/zinc/44/58/04/975445804.db2.gz AJVFLPKUQVDRQT-CMOBGSAGSA-N 1 0 240.322 2.128 20 30 BEEDRO CC1(O)CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173592098 975447100 /nfs/dbraw/zinc/44/71/00/975447100.db2.gz FZOGZMOAZVYHSV-UHFFFAOYSA-N 1 0 236.359 2.306 20 30 BEEDRO CN(C)[C@H]1CC[N@@H+](C2CCC(C)(C#N)CC2)C1 ZINC001173592133 975447511 /nfs/dbraw/zinc/44/75/11/975447511.db2.gz HKNWZSMHNHWSPA-MOKVOYLWSA-N 1 0 235.375 2.095 20 30 BEEDRO CN1CCC[N@@H+](C2CCC(C)(C#N)CC2)CC1 ZINC001173591966 975447963 /nfs/dbraw/zinc/44/79/63/975447963.db2.gz AMOFLHHYWWUHOD-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CCN1CC[NH+](C2CCC(C)(C#N)CC2)CC1 ZINC001173592692 975459272 /nfs/dbraw/zinc/45/92/72/975459272.db2.gz YXNRSKBZZHGMOS-UHFFFAOYSA-N 1 0 235.375 2.096 20 30 BEEDRO CC1(C#N)CCC([N@@H+]2CCn3nccc3C2)CC1 ZINC001173597671 975465295 /nfs/dbraw/zinc/46/52/95/975465295.db2.gz ASULYNULYHMVLR-UHFFFAOYSA-N 1 0 244.342 2.171 20 30 BEEDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2C1CCC(C)(C#N)CC1 ZINC001173597005 975474070 /nfs/dbraw/zinc/47/40/70/975474070.db2.gz JWFAQRCTEBWTOA-GQKFXUNGSA-N 1 0 247.386 2.237 20 30 BEEDRO CN1CC2(C1)CC[N@@H+](C1CCC(C)(C#N)CC1)C2 ZINC001173601031 975479941 /nfs/dbraw/zinc/47/99/41/975479941.db2.gz NQPBQTAKVTZGSO-UHFFFAOYSA-N 1 0 247.386 2.096 20 30 BEEDRO C#CCC[NH2+][C@H](C)Cc1ccc(C(=O)OC)cc1 ZINC001173717375 975524143 /nfs/dbraw/zinc/52/41/43/975524143.db2.gz PDOPWJWPEWSZJH-GFCCVEGCSA-N 1 0 245.322 2.017 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@H]1CCCSCC1 ZINC001333323574 975653922 /nfs/dbraw/zinc/65/39/22/975653922.db2.gz WDYCVXHFWCGWGJ-QWRGUYRKSA-N 1 0 215.362 2.063 20 30 BEEDRO C=C[C@@H](COC)[NH2+][C@@H]1CCCSCC1 ZINC001333323576 975659455 /nfs/dbraw/zinc/65/94/55/975659455.db2.gz WDYCVXHFWCGWGJ-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCOCCCO ZINC001333323953 975664504 /nfs/dbraw/zinc/66/45/04/975664504.db2.gz YPHMWRSXZFMWFI-ZIAGYGMSSA-N 1 0 241.375 2.110 20 30 BEEDRO N#Cc1cccc(F)c1Nc1cc[nH+]cc1 ZINC001173882731 975948988 /nfs/dbraw/zinc/94/89/88/975948988.db2.gz QBTYEYLKLQDONE-UHFFFAOYSA-N 1 0 213.215 2.258 20 30 BEEDRO COc1cccc(C#N)c1Nc1cc[nH+]cc1 ZINC001173883574 975958052 /nfs/dbraw/zinc/95/80/52/975958052.db2.gz NDGHZQPESKMPGL-UHFFFAOYSA-N 1 0 225.251 2.127 20 30 BEEDRO N#Cc1c(F)cc(Nc2cc[nH+]cc2)cc1F ZINC001173884149 975976079 /nfs/dbraw/zinc/97/60/79/975976079.db2.gz JYASPBNWCBFDIM-UHFFFAOYSA-N 1 0 231.205 2.397 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](CCC)CCC=C ZINC001333718519 976021527 /nfs/dbraw/zinc/02/15/27/976021527.db2.gz ILRLZGAILOGQAF-OLZOCXBDSA-N 1 0 209.333 2.095 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(C)(F)F)[C@H]1CCCO1 ZINC001334093218 976300815 /nfs/dbraw/zinc/30/08/15/976300815.db2.gz KRQWYTIHKLLKAF-WDEREUQCSA-N 1 0 231.286 2.192 20 30 BEEDRO C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H](C)C(C)C ZINC001277314793 976350515 /nfs/dbraw/zinc/35/05/15/976350515.db2.gz RYDYCGWJAIOUCR-CHWSQXEVSA-N 1 0 240.391 2.339 20 30 BEEDRO C=CC[N@@H+](CCOC)[C@H](C)c1ccc(F)nc1 ZINC001334188554 976363312 /nfs/dbraw/zinc/36/33/12/976363312.db2.gz QTBXUOYWHLJUEX-LLVKDONJSA-N 1 0 238.306 2.416 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@H]1c1ccccc1 ZINC001334385031 976482478 /nfs/dbraw/zinc/48/24/78/976482478.db2.gz RNNAWGDVSDGAKW-PMPSAXMXSA-N 1 0 243.350 2.297 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC001334384990 976483162 /nfs/dbraw/zinc/48/31/62/976483162.db2.gz RNNAWGDVSDGAKW-BZUAXINKSA-N 1 0 243.350 2.297 20 30 BEEDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001334794184 976671807 /nfs/dbraw/zinc/67/18/07/976671807.db2.gz LCVFEKIVIORYHN-IJLUTSLNSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C1=CCCC1)C2 ZINC001095305183 976708422 /nfs/dbraw/zinc/70/84/22/976708422.db2.gz CCDNYNKSFKLNES-RDBSUJKOSA-N 1 0 246.354 2.004 20 30 BEEDRO Cc1cccc(C#N)c1O[C@H]1C[NH+]2CCC1CC2 ZINC001229179720 976787533 /nfs/dbraw/zinc/78/75/33/976787533.db2.gz NRDQCUDCAUVYLA-AWEZNQCLSA-N 1 0 242.322 2.340 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1occc1C ZINC001334907279 976788715 /nfs/dbraw/zinc/78/87/15/976788715.db2.gz OYEXHDQUNCSOPE-GFCCVEGCSA-N 1 0 221.300 2.106 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccn2)C1 ZINC001335054868 976837737 /nfs/dbraw/zinc/83/77/37/976837737.db2.gz GFECRJGOIUJLSY-TZMCWYRMSA-N 1 0 232.327 2.013 20 30 BEEDRO C#CC[N@H+](Cc1cnc(N(C)C)s1)C(C)C ZINC001335117170 976855159 /nfs/dbraw/zinc/85/51/59/976855159.db2.gz LBARBTVJLHEKRP-UHFFFAOYSA-N 1 0 237.372 2.053 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)CCCC[NH2+]CC ZINC001174684047 976925444 /nfs/dbraw/zinc/92/54/44/976925444.db2.gz XGAUKDWWFBZKAQ-GFCCVEGCSA-N 1 0 240.391 2.483 20 30 BEEDRO C[C@@H](CS)Oc1ccc(CC[NH+](C)C)cc1 ZINC001229660418 976932769 /nfs/dbraw/zinc/93/27/69/976932769.db2.gz SQQLHWJYLQXEBK-NSHDSACASA-N 1 0 239.384 2.488 20 30 BEEDRO Cc1cc(Nc2ccc(C#N)c(C#N)c2)cc[nH+]1 ZINC001174657035 976952780 /nfs/dbraw/zinc/95/27/80/976952780.db2.gz LPVDCEXHFRXLJT-UHFFFAOYSA-N 1 0 234.262 2.299 20 30 BEEDRO CC(C)(C)OCCC[NH2+]C[C@H](C#N)CCC#N ZINC001335318973 976960491 /nfs/dbraw/zinc/96/04/91/976960491.db2.gz ZRKVIYMRVCBGCY-LBPRGKRZSA-N 1 0 237.347 2.225 20 30 BEEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1(C)CC1 ZINC001335334956 976976392 /nfs/dbraw/zinc/97/63/92/976976392.db2.gz WWBQZIVJXBNEBP-WDEREUQCSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC001335381743 977015193 /nfs/dbraw/zinc/01/51/93/977015193.db2.gz MRSACVYOLYCFCG-NWANDNLSSA-N 1 0 249.354 2.025 20 30 BEEDRO C=C(C)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001174789339 977030379 /nfs/dbraw/zinc/03/03/79/977030379.db2.gz HRRUZVBLHMOVKR-UHFFFAOYSA-N 1 0 245.370 2.380 20 30 BEEDRO C=CC[NH2+]CCCC[C@@H](C)NC(=O)CCCF ZINC001174750776 977046880 /nfs/dbraw/zinc/04/68/80/977046880.db2.gz CCEGLSIEUZKVAZ-GFCCVEGCSA-N 1 0 244.354 2.187 20 30 BEEDRO C#C[C@H](CC)[NH2+]CCC(=O)Nc1ccccc1F ZINC001335476516 977086496 /nfs/dbraw/zinc/08/64/96/977086496.db2.gz ILJBQUQFBCWMQH-LLVKDONJSA-N 1 0 248.301 2.156 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Oc1cccc(C#N)n1 ZINC001230038355 977097808 /nfs/dbraw/zinc/09/78/08/977097808.db2.gz BBTJBTVPWAGFJI-NSHDSACASA-N 1 0 233.315 2.062 20 30 BEEDRO N#Cc1cncc(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000721544597 977219099 /nfs/dbraw/zinc/21/90/99/977219099.db2.gz MAPLWVRHFYVDTH-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH+](CC)CC ZINC001335773589 977273331 /nfs/dbraw/zinc/27/33/31/977273331.db2.gz MWZVGLAVVRUKEF-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)ccc1C#N ZINC001230639691 977274298 /nfs/dbraw/zinc/27/42/98/977274298.db2.gz QZPVGVRWWHUTAY-SNVBAGLBSA-N 1 0 237.298 2.171 20 30 BEEDRO CC[N@@H+]1CC[C@H](Oc2cc(F)ccc2C#N)C1 ZINC001230636362 977282403 /nfs/dbraw/zinc/28/24/03/977282403.db2.gz JUFKYDBYPUCCHY-LBPRGKRZSA-N 1 0 234.274 2.170 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)CC(C)C ZINC001230651290 977287635 /nfs/dbraw/zinc/28/76/35/977287635.db2.gz MASXGPPPIFJYGT-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@H]([NH2+]C[C@H](C#N)CCC#N)[C@@H]1CCCCO1 ZINC001335898365 977352247 /nfs/dbraw/zinc/35/22/47/977352247.db2.gz QYBITPPUHVDLDU-IHRRRGAJSA-N 1 0 249.358 2.367 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)C(F)F ZINC001231050955 977448701 /nfs/dbraw/zinc/44/87/01/977448701.db2.gz GDFQKSZWLRTEIM-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CCC[C@@H](C)[N@H+](C)CCCNC(=O)C1CC1 ZINC001231073865 977462019 /nfs/dbraw/zinc/46/20/19/977462019.db2.gz XOJNJRAREIUDRU-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N(C)C[C@H]1CC[N@@H+]1CC(=C)C ZINC001231121502 977487688 /nfs/dbraw/zinc/48/76/88/977487688.db2.gz DXSDPKCHRCZSIH-CYBMUJFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cncc(C#N)c2)C1 ZINC000721613566 977570517 /nfs/dbraw/zinc/57/05/17/977570517.db2.gz CEXCHKGZMNDPSC-MFKMUULPSA-N 1 0 215.300 2.231 20 30 BEEDRO COc1ccc(NC2=CCC[N@H+](C)C2)c(C#N)c1 ZINC001175575797 977579867 /nfs/dbraw/zinc/57/98/67/977579867.db2.gz AMQGQHZCKKFIOT-UHFFFAOYSA-N 1 0 243.310 2.198 20 30 BEEDRO Cc1cccc(NC2=CCC[N@@H+](C)C2)c1C#N ZINC001175575873 977581284 /nfs/dbraw/zinc/58/12/84/977581284.db2.gz CQDZPXYJCGOLEE-UHFFFAOYSA-N 1 0 227.311 2.498 20 30 BEEDRO N#Cc1ccc(C[N@H+]2C3CCC2(CO)CC3)s1 ZINC001336286769 977618974 /nfs/dbraw/zinc/61/89/74/977618974.db2.gz KBEPVMMNKITCJU-UHFFFAOYSA-N 1 0 248.351 2.109 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC001336325895 977629277 /nfs/dbraw/zinc/62/92/77/977629277.db2.gz OBJOYMQDNQIOBG-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C#Cc1cccc(C[NH+]2CCC(OC)CC2)c1 ZINC001231655144 977666642 /nfs/dbraw/zinc/66/66/42/977666642.db2.gz AIMPQFRQILOSNI-UHFFFAOYSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(NC2CC[NH+](C(C)C)CC2)nc1 ZINC001336456260 977700832 /nfs/dbraw/zinc/70/08/32/977700832.db2.gz UDHBHNUKHNHFCK-UHFFFAOYSA-N 1 0 243.354 2.348 20 30 BEEDRO C#Cc1ccc(N[C@H](C)C[NH+]2CCCCC2)nc1 ZINC001336471676 977704338 /nfs/dbraw/zinc/70/43/38/977704338.db2.gz OPLFTXBXLRDXRX-CYBMUJFWSA-N 1 0 243.354 2.349 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccnc2OCC)C1 ZINC001231768564 977742916 /nfs/dbraw/zinc/74/29/16/977742916.db2.gz NYEMYDJFSDRKOR-CYBMUJFWSA-N 1 0 244.338 2.326 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(Cl)c(C)cc1O ZINC001231870491 977776237 /nfs/dbraw/zinc/77/62/37/977776237.db2.gz GADMZWIXBWPFPN-UHFFFAOYSA-N 1 0 223.703 2.419 20 30 BEEDRO C#CC[N@@H+](C)Cc1c[nH]c2c1cccc2OC ZINC001231900708 977790237 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978158437 /nfs/dbraw/zinc/15/84/37/978158437.db2.gz ZORNTZQXHGKRED-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cccc(CF)n2)C1 ZINC001232539548 978166266 /nfs/dbraw/zinc/16/62/66/978166266.db2.gz MZZSYUHAFJGVBS-GFCCVEGCSA-N 1 0 232.302 2.396 20 30 BEEDRO C=CC[NH+](CC=C)Cc1ccc(CCO)cc1 ZINC001232778960 978272385 /nfs/dbraw/zinc/27/23/85/978272385.db2.gz ZTGPRHZMQABDLV-UHFFFAOYSA-N 1 0 231.339 2.395 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(O)cc(OC)c2)C1 ZINC001232805188 978296429 /nfs/dbraw/zinc/29/64/29/978296429.db2.gz XNGIRVAFKKBURK-LBPRGKRZSA-N 1 0 245.322 2.246 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1C[N@@H+](C)CC1(C)C ZINC001597313112 978313268 /nfs/dbraw/zinc/31/32/68/978313268.db2.gz JZGOVOSWAJXOGJ-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@]1(CF)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC001232922808 978335826 /nfs/dbraw/zinc/33/58/26/978335826.db2.gz UVTOCFMTBFWVJD-ZDUSSCGKSA-N 1 0 233.290 2.135 20 30 BEEDRO Cc1ccc(CN2CCCO[C@@H](C)C2)c(C#N)c1 ZINC001232962991 978361219 /nfs/dbraw/zinc/36/12/19/978361219.db2.gz WSDDQBPUJJHBQJ-ZDUSSCGKSA-N 1 0 244.338 2.478 20 30 BEEDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(C#N)c1 ZINC001232964449 978363804 /nfs/dbraw/zinc/36/38/04/978363804.db2.gz XXCBQUOCMREDOQ-OKILXGFUSA-N 1 0 212.296 2.318 20 30 BEEDRO Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c(C#N)c1 ZINC001232967404 978368249 /nfs/dbraw/zinc/36/82/49/978368249.db2.gz LDQOWSYWPVWNKX-WFASDCNBSA-N 1 0 244.338 2.212 20 30 BEEDRO CC[NH+](CC)CC[C@@H](C)Nc1cnccc1C#N ZINC001337556457 978403903 /nfs/dbraw/zinc/40/39/03/978403903.db2.gz OURWTIVXEQJPEP-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CC[NH+](CC)CC[C@H](C)Nc1cnccc1C#N ZINC001337556458 978404818 /nfs/dbraw/zinc/40/48/18/978404818.db2.gz OURWTIVXEQJPEP-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO C#C[C@@H](CCCC)OCC[NH+]1CCCC1 ZINC001206309789 978420051 /nfs/dbraw/zinc/42/00/51/978420051.db2.gz VOIRRZLNNXZNON-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C[N@@H+](Cc1[nH]ccc1C#N)C[C@H]1CC1(C)C ZINC001233048163 978437170 /nfs/dbraw/zinc/43/71/70/978437170.db2.gz XYJWRIRQUSMJGQ-LLVKDONJSA-N 1 0 217.316 2.364 20 30 BEEDRO CC(C)[N@H+](Cc1[nH]ccc1C#N)C1CCOCC1 ZINC001233049579 978440973 /nfs/dbraw/zinc/44/09/73/978440973.db2.gz RAEHURIRTQTJEF-UHFFFAOYSA-N 1 0 247.342 2.276 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cccc(O)c2F)C1 ZINC001233057752 978453284 /nfs/dbraw/zinc/45/32/84/978453284.db2.gz NXLNBAXFGWCPJD-NSHDSACASA-N 1 0 233.286 2.377 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC001337678438 978455506 /nfs/dbraw/zinc/45/55/06/978455506.db2.gz DMULGEDXWNCYON-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001233082396 978464684 /nfs/dbraw/zinc/46/46/84/978464684.db2.gz LBHATWFVTYYDOB-LSDHHAIUSA-N 1 0 242.322 2.087 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc2nccnc2c1 ZINC001178165958 978516752 /nfs/dbraw/zinc/51/67/52/978516752.db2.gz OVZVHNJFPSOJBK-SNVBAGLBSA-N 1 0 213.284 2.294 20 30 BEEDRO C#Cc1ccc(N[C@H](C)C[NH+](CC)CC)nc1 ZINC001337848778 978523437 /nfs/dbraw/zinc/52/34/37/978523437.db2.gz XLWLTZXZKZLWKQ-GFCCVEGCSA-N 1 0 231.343 2.205 20 30 BEEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)/C=C/C(C)=C/C ZINC001178514468 978581004 /nfs/dbraw/zinc/58/10/04/978581004.db2.gz JGNDJWWUABGAQN-ADMOQRSWSA-N 1 0 248.370 2.275 20 30 BEEDRO C=CC[NH2+]CCCCCCNC(=O)C1(C)CC1 ZINC001178547018 978586015 /nfs/dbraw/zinc/58/60/15/978586015.db2.gz KQEOUXKONKVELO-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)/C=C(\C)CC)[C@H]1C ZINC001178632044 978601915 /nfs/dbraw/zinc/60/19/15/978601915.db2.gz BRVQGLSEZVUGGC-QFEHZMRISA-N 1 0 236.359 2.108 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233500507 978617003 /nfs/dbraw/zinc/61/70/03/978617003.db2.gz JSXWASUFIDKCPS-WBTMPAOCSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)/C=C\C1CC1 ZINC001233499387 978617072 /nfs/dbraw/zinc/61/70/72/978617072.db2.gz FKYMEKLEZWBDLB-AFNCTOJWSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(C)nc(C)c1 ZINC001178709857 978623564 /nfs/dbraw/zinc/62/35/64/978623564.db2.gz LXQAQYWDSPZGDD-CQSZACIVSA-N 1 0 234.343 2.115 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)C(C)C ZINC001234081468 978767170 /nfs/dbraw/zinc/76/71/70/978767170.db2.gz FEINYFAIHIBIMG-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO CC[NH+]1CCC(Oc2cc(O)cc(C#N)c2)CC1 ZINC001234139042 978783626 /nfs/dbraw/zinc/78/36/26/978783626.db2.gz FIKMQLQQFWSXNZ-UHFFFAOYSA-N 1 0 246.310 2.127 20 30 BEEDRO CCC[N@@H+]1CCCC[C@H]1C(=O)OCCCC#N ZINC001339414837 978849415 /nfs/dbraw/zinc/84/94/15/978849415.db2.gz QRMSHZHXUYZJOZ-LBPRGKRZSA-N 1 0 238.331 2.098 20 30 BEEDRO C#Cc1ccc(NC[C@@H]2CCC[N@@H+](CC)C2)nc1 ZINC001339558932 978871679 /nfs/dbraw/zinc/87/16/79/978871679.db2.gz GYMWHWKGHWUENE-AWEZNQCLSA-N 1 0 243.354 2.207 20 30 BEEDRO C#Cc1ccc(NC(=O)C[NH+](CC)CC)cc1F ZINC001180390432 978873059 /nfs/dbraw/zinc/87/30/59/978873059.db2.gz UEMFYPJESKPYNA-UHFFFAOYSA-N 1 0 248.301 2.087 20 30 BEEDRO C=C1CC=C(F)C=C1NC(=O)C[NH+](CC)CC ZINC001180390673 978873134 /nfs/dbraw/zinc/87/31/34/978873134.db2.gz CQKRMLHPACTVLX-UHFFFAOYSA-N 1 0 238.306 2.142 20 30 BEEDRO C[C@@H]([NH3+])c1ccc(NC(=O)[C@@H](C)CC#N)cc1 ZINC001339715728 978898861 /nfs/dbraw/zinc/89/88/61/978898861.db2.gz QCXIBUUTYCWJFF-VHSXEESVSA-N 1 0 231.299 2.195 20 30 BEEDRO C=CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C1CC1 ZINC001277913987 978945364 /nfs/dbraw/zinc/94/53/64/978945364.db2.gz LFDUTBYRXRXKNA-NSHDSACASA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CCC(C)C)C1 ZINC001180887731 978951863 /nfs/dbraw/zinc/95/18/63/978951863.db2.gz DPGWZFFLAOPSHI-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC1(C)C ZINC001340077976 978966001 /nfs/dbraw/zinc/96/60/01/978966001.db2.gz JHEBRCAKLGVACJ-RYUDHWBXSA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC001180931096 978967451 /nfs/dbraw/zinc/96/74/51/978967451.db2.gz OHBJAYNBATUPDU-ZIAGYGMSSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(N2CCOCC2)c1 ZINC001235081446 978971892 /nfs/dbraw/zinc/97/18/92/978971892.db2.gz BIENLPFMUFACKG-UHFFFAOYSA-N 1 0 246.354 2.141 20 30 BEEDRO C=C(C)[C@@H]1CC=C(CN2CC[NH2+][C@H]3C[C@H]32)CC1 ZINC001235285246 979016689 /nfs/dbraw/zinc/01/66/89/979016689.db2.gz QVNICHHFIUYPPM-QLFBSQMISA-N 1 0 232.371 2.335 20 30 BEEDRO CCCCCCCCN1CC[NH2+][C@@H]2C[C@@H]21 ZINC001235283855 979017086 /nfs/dbraw/zinc/01/70/86/979017086.db2.gz HYOHAJMEEUSAJE-OLZOCXBDSA-N 1 0 210.365 2.393 20 30 BEEDRO C=CCCCCCCN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001235401350 979035116 /nfs/dbraw/zinc/03/51/16/979035116.db2.gz BXEGCPYDNGRELK-STQMWFEESA-N 1 0 208.349 2.169 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(O)cc(OCC)c1 ZINC001235403682 979037267 /nfs/dbraw/zinc/03/72/67/979037267.db2.gz BNEIVPZHWOSXNV-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO N#CCCCN1CC[C@H]2C[N@@H+](C3CCCC3)C[C@H]21 ZINC001277943274 979041202 /nfs/dbraw/zinc/04/12/02/979041202.db2.gz QPNWKZNFFVSKPW-DZGCQCFKSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCC(CC)CC1 ZINC001340619850 979044721 /nfs/dbraw/zinc/04/47/21/979044721.db2.gz BVDFNBBRBCZDQL-ZDUSSCGKSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC(CC)CC1 ZINC001340619849 979044906 /nfs/dbraw/zinc/04/49/06/979044906.db2.gz BVDFNBBRBCZDQL-CYBMUJFWSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCCC(=O)NCCC[N@@H+](C)C/C=C/Cl ZINC001235464654 979047870 /nfs/dbraw/zinc/04/78/70/979047870.db2.gz MHDGYNNBHDPWMG-VMPITWQZSA-N 1 0 244.766 2.143 20 30 BEEDRO N#CCCCCN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001277948308 979052415 /nfs/dbraw/zinc/05/24/15/979052415.db2.gz HDUFIBWXTAOCFM-UHFFFAOYSA-N 1 0 247.386 2.240 20 30 BEEDRO CO[C@@H](C)C1C[NH+](Cc2ccccc2CC#N)C1 ZINC001235525179 979066888 /nfs/dbraw/zinc/06/68/88/979066888.db2.gz KFPWWEMOJPQRAF-LBPRGKRZSA-N 1 0 244.338 2.219 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)C[C@H](C)C(C)C ZINC001235524307 979067634 /nfs/dbraw/zinc/06/76/34/979067634.db2.gz CYUQDFTXHRGJHK-ZDUSSCGKSA-N 1 0 240.391 2.293 20 30 BEEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1CC#N ZINC001235530235 979071778 /nfs/dbraw/zinc/07/17/78/979071778.db2.gz TWVGLMXBKJVYLA-DOMZBBRYSA-N 1 0 244.338 2.098 20 30 BEEDRO N#CCCN(CC[NH3+])C1CCCCCCC1 ZINC001235663393 979111563 /nfs/dbraw/zinc/11/15/63/979111563.db2.gz IMAGNUNHLLEZOK-UHFFFAOYSA-N 1 0 223.364 2.274 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)C[C@H]([NH3+])CC(C)C)C1 ZINC001340819197 979116184 /nfs/dbraw/zinc/11/61/84/979116184.db2.gz YOFRVPUGWZRRAF-QWHCGFSZSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCCCCN1CC[NH2+][C@@H](CC)C1 ZINC001235723712 979136059 /nfs/dbraw/zinc/13/60/59/979136059.db2.gz HLCXHZFELZPIRM-ZDUSSCGKSA-N 1 0 210.365 2.417 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001340887948 979141862 /nfs/dbraw/zinc/14/18/62/979141862.db2.gz ZDYXUCACNZABBK-ZDUSSCGKSA-N 1 0 221.344 2.027 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([NH2+]CCCCC)C1 ZINC001181535267 979144116 /nfs/dbraw/zinc/14/41/16/979144116.db2.gz PZDKLVRKSODSHU-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CCN(C[C@@H]([NH3+])CC)[C@@H]1CCc2ccccc21 ZINC001235834080 979162937 /nfs/dbraw/zinc/16/29/37/979162937.db2.gz KOGHTYGWRKPBAM-GOEBONIOSA-N 1 0 242.366 2.346 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1cnc(C)c(C)c1 ZINC001340967815 979179968 /nfs/dbraw/zinc/17/99/68/979179968.db2.gz IQHNPCXGQBWRDJ-CYBMUJFWSA-N 1 0 247.342 2.321 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)NC(C)(C)/C=C/Cl ZINC001341018643 979195058 /nfs/dbraw/zinc/19/50/58/979195058.db2.gz JHOMNAAWNDENOM-AAXQSMANSA-N 1 0 244.766 2.317 20 30 BEEDRO CC/C=C\CCCCCN1CCN[C@H](C#N)C1 ZINC001235913508 979202198 /nfs/dbraw/zinc/20/21/98/979202198.db2.gz NIXRLPIGUXEFFD-VQTKUKTRSA-N 1 0 235.375 2.310 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1ccccc1NCC ZINC001181645151 979203723 /nfs/dbraw/zinc/20/37/23/979203723.db2.gz AEDXVACKTYNRGG-NSHDSACASA-N 1 0 202.301 2.230 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)CCC1CC1 ZINC001341041406 979204630 /nfs/dbraw/zinc/20/46/30/979204630.db2.gz KRLAVLBCLMVGDW-WCQYABFASA-N 1 0 238.375 2.365 20 30 BEEDRO C=CCCCCC[N@@H+]1CCNC2(CC2)C1 ZINC001235933884 979212648 /nfs/dbraw/zinc/21/26/48/979212648.db2.gz VMPXRPYKMCINEH-UHFFFAOYSA-N 1 0 208.349 2.171 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@H](c2ccc(F)cc2)C1 ZINC001235949686 979220964 /nfs/dbraw/zinc/22/09/64/979220964.db2.gz RDNWCDLPDFJNHU-AWEZNQCLSA-N 1 0 248.345 2.391 20 30 BEEDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001341121031 979243162 /nfs/dbraw/zinc/24/31/62/979243162.db2.gz ONYOKVRUYPZSNC-UPJWGTAASA-N 1 0 224.348 2.209 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001181793612 979305463 /nfs/dbraw/zinc/30/54/63/979305463.db2.gz QOWVGEHILMCJHR-CQSZACIVSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)C1CCCC1 ZINC001341310024 979326633 /nfs/dbraw/zinc/32/66/33/979326633.db2.gz ULBHVZGDLPWQDK-CYBMUJFWSA-N 1 0 238.375 2.461 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001181916989 979369787 /nfs/dbraw/zinc/36/97/87/979369787.db2.gz KPFVGPJCCHXNGT-YQJFHSMKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C(C)C)C1CCC1 ZINC001341581065 979480243 /nfs/dbraw/zinc/48/02/43/979480243.db2.gz MEXVGQJEZKNBHM-CYBMUJFWSA-N 1 0 238.375 2.460 20 30 BEEDRO C=CCCCCCCN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236279951 979480734 /nfs/dbraw/zinc/48/07/34/979480734.db2.gz ACHYFQOTCGWTID-QWHCGFSZSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)Nc1ccc(O)cc1 ZINC001341649312 979508322 /nfs/dbraw/zinc/50/83/22/979508322.db2.gz ICPMKWUBAZWNCG-GFCCVEGCSA-N 1 0 234.299 2.014 20 30 BEEDRO N#CCc1ccncc1-c1cccc2c1CC[NH2+]C2 ZINC001236358423 979552434 /nfs/dbraw/zinc/55/24/34/979552434.db2.gz HKEVREQCLLQFMO-UHFFFAOYSA-N 1 0 249.317 2.460 20 30 BEEDRO C=CC(C)(C)CC(=O)N1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC001341780595 979558581 /nfs/dbraw/zinc/55/85/81/979558581.db2.gz MIGLTCGGTLYVEZ-GRYCIOLGSA-N 1 0 238.375 2.186 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)CCCC[NH3+] ZINC001341789528 979561872 /nfs/dbraw/zinc/56/18/72/979561872.db2.gz YQPFHRRJZNZFCH-VXGBXAGGSA-N 1 0 226.364 2.222 20 30 BEEDRO C=CCCC[N@@H+](C)CCCN(C)C(=O)CC ZINC001273475814 979563321 /nfs/dbraw/zinc/56/33/21/979563321.db2.gz UAOYRLYFCVKBLJ-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C#CC(C)(C)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC001182635852 979573800 /nfs/dbraw/zinc/57/38/00/979573800.db2.gz GEHBVQQSAIZUKT-UHFFFAOYSA-N 1 0 230.311 2.004 20 30 BEEDRO C[NH+](C)Cc1cccc(-c2nnccc2C#N)c1 ZINC001236415271 979586526 /nfs/dbraw/zinc/58/65/26/979586526.db2.gz VYTDLNKSRUWQOV-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CCC)C1CC1 ZINC001341892164 979588084 /nfs/dbraw/zinc/58/80/84/979588084.db2.gz VDGBPGFUXCAOBT-GFCCVEGCSA-N 1 0 224.348 2.071 20 30 BEEDRO CC=C(NC=[NH2+])c1cc(C#N)ccc1OC ZINC001236536546 979627380 /nfs/dbraw/zinc/62/73/80/979627380.db2.gz WKENAOIHJSNTGA-JYOAFUTRSA-N 1 0 215.256 2.124 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](CC=C)C1 ZINC001342197850 979706347 /nfs/dbraw/zinc/70/63/47/979706347.db2.gz APGNFRDWERMDFP-OLZOCXBDSA-N 1 0 236.359 2.095 20 30 BEEDRO C=C(C)CN(CC)C(=O)C(=C)C[NH+]1CCCC1 ZINC001183044101 979706692 /nfs/dbraw/zinc/70/66/92/979706692.db2.gz CPXSBSLIBWUTBL-UHFFFAOYSA-N 1 0 236.359 2.063 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC12CCCC2 ZINC001183043257 979706787 /nfs/dbraw/zinc/70/67/87/979706787.db2.gz NXTGOAPEAMDFKJ-UHFFFAOYSA-N 1 0 248.370 2.184 20 30 BEEDRO C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H](C)CC12CC2 ZINC001183044211 979707025 /nfs/dbraw/zinc/70/70/25/979707025.db2.gz DPGTYXJKQVGAED-LBPRGKRZSA-N 1 0 248.370 2.039 20 30 BEEDRO C#C[C@H](CO)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC001183103410 979732935 /nfs/dbraw/zinc/73/29/35/979732935.db2.gz LJAIUVLFVHLKLT-MRXNPFEDSA-N 1 0 243.350 2.428 20 30 BEEDRO CCc1ccc(C[NH+]2CC(CC#N)C2)c(O)c1 ZINC001236783536 979733519 /nfs/dbraw/zinc/73/35/19/979733519.db2.gz LQEGVKMFNPSVDZ-UHFFFAOYSA-N 1 0 230.311 2.300 20 30 BEEDRO C#C[C@@H](CO)[NH2+][C@H](C)CCCCCC=C ZINC001183102749 979735462 /nfs/dbraw/zinc/73/54/62/979735462.db2.gz GBLLDGSVPWOWDI-OLZOCXBDSA-N 1 0 209.333 2.095 20 30 BEEDRO C#CC[N@@H+](C)Cc1ccc(CC)cc1O ZINC001236794740 979740046 /nfs/dbraw/zinc/74/00/46/979740046.db2.gz OEAGPVFMAZMTBO-UHFFFAOYSA-N 1 0 203.285 2.020 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H]1CCC ZINC001342379737 979786889 /nfs/dbraw/zinc/78/68/89/979786889.db2.gz KXMYHLJMBKMHKP-MNOVXSKESA-N 1 0 244.766 2.247 20 30 BEEDRO CC[NH2+][C@H](C)C(=O)Nc1ccc(CCC#N)cc1 ZINC001342598564 979838123 /nfs/dbraw/zinc/83/81/23/979838123.db2.gz RIBJAUMLQSHFDN-LLVKDONJSA-N 1 0 245.326 2.079 20 30 BEEDRO C=CCCC[NH2+]C[C@H]1CCN(C(C)=O)C[C@H]1C ZINC001183665116 979873339 /nfs/dbraw/zinc/87/33/39/979873339.db2.gz WWAKEJJBOGWDBR-TZMCWYRMSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCC(=O)N1CC[C@H](C[NH2+]CC)[C@@H](C)C1 ZINC001184077178 979938737 /nfs/dbraw/zinc/93/87/37/979938737.db2.gz HCAHBEOWOXWNAW-QWHCGFSZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCN(CC)C(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC001343010043 979973930 /nfs/dbraw/zinc/97/39/30/979973930.db2.gz HGFFQIMQUQPDCK-QWHCGFSZSA-N 1 0 238.375 2.319 20 30 BEEDRO CCc1n[nH]cc1C[NH+]1CCC(CC#N)CC1 ZINC001237651220 980004118 /nfs/dbraw/zinc/00/41/18/980004118.db2.gz NTEUOGFEHBOXLO-UHFFFAOYSA-N 1 0 232.331 2.098 20 30 BEEDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CC1(C#N)CCOCC1 ZINC001184278565 980008975 /nfs/dbraw/zinc/00/89/75/980008975.db2.gz TVSFFIBNPABJGQ-OLZOCXBDSA-N 1 0 236.359 2.331 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001343219817 980040139 /nfs/dbraw/zinc/04/01/39/980040139.db2.gz FMXDKCSOKYUJMX-VXGBXAGGSA-N 1 0 225.332 2.367 20 30 BEEDRO C=CCC1(O)C[NH+](Cc2cccc(CC)c2O)C1 ZINC001184336584 980043806 /nfs/dbraw/zinc/04/38/06/980043806.db2.gz BELIZVNWGLOJSN-UHFFFAOYSA-N 1 0 247.338 2.077 20 30 BEEDRO C=CCCCCCN(C)C(=O)C1([NH2+]C)CCC1 ZINC001343279147 980055225 /nfs/dbraw/zinc/05/52/25/980055225.db2.gz RUQHONWOZZGWIP-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC[N@H+](Cc1ccc([S@](C)=O)cc1)C(C)C ZINC001343289174 980056585 /nfs/dbraw/zinc/05/65/85/980056585.db2.gz YUZXKYGAGOLRNO-KRWDZBQOSA-N 1 0 249.379 2.268 20 30 BEEDRO C=CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CCC ZINC001343433162 980108596 /nfs/dbraw/zinc/10/85/96/980108596.db2.gz LLNIECXOXHFCBU-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO COc1ccc(CC[NH+]2CCCC2)c(C#N)c1 ZINC001250166372 980125323 /nfs/dbraw/zinc/12/53/23/980125323.db2.gz LPGFOKVBIBNXOC-UHFFFAOYSA-N 1 0 230.311 2.205 20 30 BEEDRO C[C@@H]1CC(=O)C=C(CC[NH+]2CCCC2)C1 ZINC001250166896 980128890 /nfs/dbraw/zinc/12/88/90/980128890.db2.gz VDNBZZQWQUSKMA-NSHDSACASA-N 1 0 207.317 2.398 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(C)CC1CC[NH2+]CC1 ZINC001343574719 980153789 /nfs/dbraw/zinc/15/37/89/980153789.db2.gz KKULKJRPYUZOOI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO CCCCN(CC#N)Cc1cccc2c[nH+]cn21 ZINC001238118088 980165513 /nfs/dbraw/zinc/16/55/13/980165513.db2.gz HHYHZUIPPOHPKU-UHFFFAOYSA-N 1 0 242.326 2.460 20 30 BEEDRO C=CC[N@@H+](Cc1cnnn1C)C1CCCCC1 ZINC001238162053 980187577 /nfs/dbraw/zinc/18/75/77/980187577.db2.gz CZHJAAXPXNYLKK-UHFFFAOYSA-N 1 0 234.347 2.136 20 30 BEEDRO C=CCCC[N@@H+](CC)[C@H](C)CNC(=O)C1CC1 ZINC001151462046 980195680 /nfs/dbraw/zinc/19/56/80/980195680.db2.gz VOMXQQQZYDRZPG-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC001278220713 980244285 /nfs/dbraw/zinc/24/42/85/980244285.db2.gz IEHQVIDHJYNHBB-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001185832415 980282745 /nfs/dbraw/zinc/28/27/45/980282745.db2.gz BROIPCWCNAGRCB-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C(C)C ZINC001110371326 980295834 /nfs/dbraw/zinc/29/58/34/980295834.db2.gz IWZZXMBILYLXIV-UPJWGTAASA-N 1 0 236.359 2.083 20 30 BEEDRO C=C(C)CCC(=O)N1CC[C@H]([NH2+]C(C)C)[C@H]1C ZINC001278264101 980307379 /nfs/dbraw/zinc/30/73/79/980307379.db2.gz OWRYFYOTFCOHDT-OLZOCXBDSA-N 1 0 238.375 2.330 20 30 BEEDRO CCc1cc(C[N@@H+]2CCC[C@H](O)C2)ccc1C#N ZINC001238759852 980316997 /nfs/dbraw/zinc/31/69/97/980316997.db2.gz AVCRRTRWWZHVKC-HNNXBMFYSA-N 1 0 244.338 2.077 20 30 BEEDRO CCc1cc(C[NH+]2CCC(O)CC2)ccc1C#N ZINC001238765297 980323834 /nfs/dbraw/zinc/32/38/34/980323834.db2.gz DMWJPJUOKCZNOX-UHFFFAOYSA-N 1 0 244.338 2.077 20 30 BEEDRO Cc1ccc(C2=CCC[NH2+]CC2)nc1C#N ZINC001238937104 980374065 /nfs/dbraw/zinc/37/40/65/980374065.db2.gz YXNNMGHHPFZVDR-UHFFFAOYSA-N 1 0 213.284 2.029 20 30 BEEDRO N#Cc1c[nH]c2cc(C3=CCC[NH2+]CC3)cnc12 ZINC001238947268 980385549 /nfs/dbraw/zinc/38/55/49/980385549.db2.gz MWHWWKLUZCPWKR-UHFFFAOYSA-N 1 0 238.294 2.201 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC[C@@H](C)CC)C1 ZINC001186531167 980393771 /nfs/dbraw/zinc/39/37/71/980393771.db2.gz QHLUZTZIDOWBOX-QWHCGFSZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC001187284292 980494448 /nfs/dbraw/zinc/49/44/48/980494448.db2.gz NWDPYIQMOWFIRL-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCC[C@H](C)NC(=O)N[C@@H](C)C[NH3+] ZINC001239225320 980498492 /nfs/dbraw/zinc/49/84/92/980498492.db2.gz UWJASTXBNYRJKX-RYUDHWBXSA-N 1 0 243.395 2.382 20 30 BEEDRO N#Cc1ccc(/C=C/c2cc3c(nn2)C[NH2+]C3)cc1 ZINC001239284833 980517395 /nfs/dbraw/zinc/51/73/95/980517395.db2.gz QWDFEQDGZSEOLQ-AATRIKPKSA-N 1 0 248.289 2.122 20 30 BEEDRO CCCCCCC[C@H](C)NC(=O)N1CC[NH2+]C1 ZINC001239307004 980522913 /nfs/dbraw/zinc/52/29/13/980522913.db2.gz GBUPKCVNFVTNEF-LBPRGKRZSA-N 1 0 241.379 2.308 20 30 BEEDRO CCCCCCCCOC(=O)N[C@@H](C)C[NH3+] ZINC001239319572 980528198 /nfs/dbraw/zinc/52/81/98/980528198.db2.gz KRSYGAIOKKGONM-NSHDSACASA-N 1 0 230.352 2.420 20 30 BEEDRO CCCCCCCOC(=O)NC1(CC)C[NH2+]C1 ZINC001239320651 980529903 /nfs/dbraw/zinc/52/99/03/980529903.db2.gz RJGFXZPSBTXKKD-UHFFFAOYSA-N 1 0 242.363 2.435 20 30 BEEDRO CCCCCCCCOC(=O)N1CC(C[NH3+])C1 ZINC001239328083 980535903 /nfs/dbraw/zinc/53/59/03/980535903.db2.gz CJEBCDQCFPRBAX-UHFFFAOYSA-N 1 0 242.363 2.374 20 30 BEEDRO CCCCCCCCNC(=S)N[C@H](C)C[NH3+] ZINC001239370482 980554575 /nfs/dbraw/zinc/55/45/75/980554575.db2.gz RJDHGSDEKDSVBI-LLVKDONJSA-N 1 0 245.436 2.158 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CC2CC(OCC)C2)C1 ZINC001345392147 980604768 /nfs/dbraw/zinc/60/47/68/980604768.db2.gz YBDPNDHCVQQMAC-ROKHWSDSSA-N 1 0 239.359 2.078 20 30 BEEDRO C=CCCCC(=O)N(C)CCC[N@@H+](C)CC ZINC001273554353 980611164 /nfs/dbraw/zinc/61/11/64/980611164.db2.gz UMZVHLRXABNXHP-UHFFFAOYSA-N 1 0 226.364 2.143 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001345526362 980624696 /nfs/dbraw/zinc/62/46/96/980624696.db2.gz RITHFOWMBOJSCT-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CC[NH+]1CCC(OC(=O)C2CCCCC2)CC1 ZINC001345673181 980669465 /nfs/dbraw/zinc/66/94/65/980669465.db2.gz JZVOAARZNRRZIC-UHFFFAOYSA-N 1 0 249.354 2.208 20 30 BEEDRO CC[C@H](CC#N)OC(=O)[C@@H]1CCCN1C(C)C ZINC001345886444 980702274 /nfs/dbraw/zinc/70/22/74/980702274.db2.gz FNECUJCISGCHJT-NEPJUHHUSA-N 1 0 238.331 2.095 20 30 BEEDRO C=CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CCC1CC1)C2 ZINC001110402750 980712613 /nfs/dbraw/zinc/71/26/13/980712613.db2.gz BQKSYWHXZZWEDA-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C=C(CC)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001346130145 980764089 /nfs/dbraw/zinc/76/40/89/980764089.db2.gz XHSCIFSRTDLRAW-UHFFFAOYSA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCCC(=O)N1CC[C@@H]([N@@H+](C)CC(C)C)C1 ZINC001189269890 980768519 /nfs/dbraw/zinc/76/85/19/980768519.db2.gz MHPSIWAMDPMHPO-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCC(=O)N1CC[C@H]([N@H+](C)CCC=C)C1 ZINC001189317700 980770967 /nfs/dbraw/zinc/77/09/67/980770967.db2.gz BLYNDELMDLYGCU-ZDUSSCGKSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001189633447 980806887 /nfs/dbraw/zinc/80/68/87/980806887.db2.gz XHPPNSJZBKFSIC-AWEZNQCLSA-N 1 0 248.370 2.206 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC001346421994 980833443 /nfs/dbraw/zinc/83/34/43/980833443.db2.gz WRNISVRZJIWCOQ-ZDUSSCGKSA-N 1 0 238.375 2.047 20 30 BEEDRO C[NH+](C)Cc1ccccc1-c1ccc(C#N)nn1 ZINC001239680375 980840549 /nfs/dbraw/zinc/84/05/49/980840549.db2.gz RCKWQPMDZSLJIT-UHFFFAOYSA-N 1 0 238.294 2.077 20 30 BEEDRO C=C(CC)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC001346722976 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983812081 /nfs/dbraw/zinc/81/20/81/983812081.db2.gz HBOZNPHGLYNKRW-WDEREUQCSA-N 1 0 233.302 2.291 20 30 BEEDRO C=C[C@](C)(O)C[NH+]1CCC(c2ccccn2)CC1 ZINC001252555666 983816024 /nfs/dbraw/zinc/81/60/24/983816024.db2.gz ZUKSQPKXPQGTTP-HNNXBMFYSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C[C@](C)(O)C[N@H+]1Cc2ccccc2C[C@@H]1C ZINC001252558800 983817915 /nfs/dbraw/zinc/81/79/15/983817915.db2.gz OBKPKGXSDAWCOY-WFASDCNBSA-N 1 0 231.339 2.370 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1ccnc2ccccc12 ZINC001252568591 983824422 /nfs/dbraw/zinc/82/44/22/983824422.db2.gz LRMWXBPQYCSZJN-HNNXBMFYSA-N 1 0 242.322 2.261 20 30 BEEDRO C=C[C@](C)(O)C[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC001252574654 983830018 /nfs/dbraw/zinc/83/00/18/983830018.db2.gz BPXJTRPTRNUWGV-DOMZBBRYSA-N 1 0 249.354 2.240 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H]1CCc2c1cccc2F ZINC001252576069 983831222 /nfs/dbraw/zinc/83/12/22/983831222.db2.gz ICTFYNVXPUSYQX-UONOGXRCSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@](C)(O)C[NH2+]Cc1c(F)cc(F)cc1F ZINC001252576565 983831279 /nfs/dbraw/zinc/83/12/79/983831279.db2.gz MKSLFMWFEMVKJZ-LBPRGKRZSA-N 1 0 245.244 2.131 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@H](c1ncccc1C)C1CC1 ZINC001252577085 983832401 /nfs/dbraw/zinc/83/24/01/983832401.db2.gz SZMFKYPDCMDAAH-LSDHHAIUSA-N 1 0 246.354 2.368 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+]Cc1c(C)cccc1C ZINC001252577844 983832411 /nfs/dbraw/zinc/83/24/11/983832411.db2.gz NAHJGYNDUAJVGS-CQSZACIVSA-N 1 0 219.328 2.330 20 30 BEEDRO C=C[C@@](C)(O)C[NH2+][C@@H](c1ncccc1C)C1CC1 ZINC001252577084 983832591 /nfs/dbraw/zinc/83/25/91/983832591.db2.gz SZMFKYPDCMDAAH-HUUCEWRRSA-N 1 0 246.354 2.368 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCOCc1ccccc1 ZINC001252613860 983846535 /nfs/dbraw/zinc/84/65/35/983846535.db2.gz CGXIQMZBANVUFI-OAHLLOKOSA-N 1 0 249.354 2.120 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]CCC1CCCC1 ZINC001252613736 983847518 /nfs/dbraw/zinc/84/75/18/983847518.db2.gz AAJYGWMUEYDGQW-CYBMUJFWSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CC)c1ccncc1 ZINC001252616307 983851639 /nfs/dbraw/zinc/85/16/39/983851639.db2.gz NIOKEZJEENGBPR-KGLIPLIRSA-N 1 0 234.343 2.449 20 30 BEEDRO C=CCC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC001252620170 983854968 /nfs/dbraw/zinc/85/49/68/983854968.db2.gz QULVXRIWMWXJCQ-ZDUSSCGKSA-N 1 0 235.327 2.117 20 30 BEEDRO Cc1ccc(C#N)cc1-c1ccc(C[NH3+])nc1 ZINC001242541772 983860581 /nfs/dbraw/zinc/86/05/81/983860581.db2.gz NBIFELKRLNXEFT-UHFFFAOYSA-N 1 0 223.279 2.387 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)c1ccc(F)cc1 ZINC001474543843 983906917 /nfs/dbraw/zinc/90/69/17/983906917.db2.gz GDCHQAGRUYLLRU-FAAHXZRKSA-N 1 0 245.297 2.125 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC001560394477 983936379 /nfs/dbraw/zinc/93/63/79/983936379.db2.gz ABHDPWHABDPRBH-SNVBAGLBSA-N 1 0 246.289 2.071 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)/C=C(/C)C1CC1 ZINC001480752378 984006238 /nfs/dbraw/zinc/00/62/38/984006238.db2.gz RKHMKEVLWYTUHC-WEHUKYGOSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CCNC(=O)C(CC)CC 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C[C@H]1CC(=O)C=C(c2cnc3c(c2)C[NH2+]CC3)C1 ZINC001242741563 984092775 /nfs/dbraw/zinc/09/27/75/984092775.db2.gz VFJZEKAVUZRCKN-SNVBAGLBSA-N 1 0 242.322 2.110 20 30 BEEDRO C#CCOCC[NH2+][C@H]1c2ccccc2NC1(C)C ZINC001574735028 984114369 /nfs/dbraw/zinc/11/43/69/984114369.db2.gz ABBMEIFWQXCELL-AWEZNQCLSA-N 1 0 244.338 2.171 20 30 BEEDRO C=CC[C@H]1CCN1C(=O)[C@H]1CCCCC[C@H]1[NH3+] ZINC001574899604 984120486 /nfs/dbraw/zinc/12/04/86/984120486.db2.gz CJRJXCPINMPCJR-RWMBFGLXSA-N 1 0 236.359 2.071 20 30 BEEDRO CC(C)(C)CC[C@@H]([NH3+])CN(CC#N)C1CC1 ZINC001575131354 984127771 /nfs/dbraw/zinc/12/77/71/984127771.db2.gz UASYDXSYGYFADU-LLVKDONJSA-N 1 0 223.364 2.128 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccccc1C(F)(F)F ZINC001253565866 984224319 /nfs/dbraw/zinc/22/43/19/984224319.db2.gz UAXVZDNDFIQSFM-JTQLQIEISA-N 1 0 245.244 2.342 20 30 BEEDRO C#CC[N@@H+](Cc1cccc(C#N)c1)CC1CC1 ZINC001319458326 984270379 /nfs/dbraw/zinc/27/03/79/984270379.db2.gz KYBSVGZEWDKRCK-UHFFFAOYSA-N 1 0 224.307 2.403 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1C ZINC001274164343 984274038 /nfs/dbraw/zinc/27/40/38/984274038.db2.gz JXILDFGVWVLLCT-GXTWGEPZSA-N 1 0 240.391 2.413 20 30 BEEDRO N#Cc1ccc2ccnc(C3=CC[NH2+]CC3)c2c1 ZINC001240465913 984299669 /nfs/dbraw/zinc/29/96/69/984299669.db2.gz XURMHZHJUBOBIC-UHFFFAOYSA-N 1 0 235.290 2.483 20 30 BEEDRO COc1ccc(CC#N)cc1C1=CC[NH2+]CC1 ZINC001240467369 984301944 /nfs/dbraw/zinc/30/19/44/984301944.db2.gz FUWATTAQSTZHGE-UHFFFAOYSA-N 1 0 228.295 2.138 20 30 BEEDRO N#CCc1ccc(C2=CC[NH2+]CC2)cc1C#N ZINC001240467373 984302403 /nfs/dbraw/zinc/30/24/03/984302403.db2.gz GAKRFFZZBTUMJD-UHFFFAOYSA-N 1 0 223.279 2.001 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ncccc2C#N)c1 ZINC001242994517 984360084 /nfs/dbraw/zinc/36/00/84/984360084.db2.gz KUXGYBBGIYJZON-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C[NH2+]Cc1cccc(-c2ccncc2C#N)c1 ZINC001242997320 984360987 /nfs/dbraw/zinc/36/09/87/984360987.db2.gz MKHAHSGKJUSFIX-UHFFFAOYSA-N 1 0 223.279 2.340 20 30 BEEDRO C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC=CCC1 ZINC001274670817 984361311 /nfs/dbraw/zinc/36/13/11/984361311.db2.gz JHLCRZZMJKJNJZ-OLZOCXBDSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC(C)C ZINC001274670270 984362005 /nfs/dbraw/zinc/36/20/05/984362005.db2.gz OUKQXEDOXRJWNE-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C[NH2+]Cc1cccc(-c2nc(C)cc(C#N)n2)c1 ZINC001242995776 984362589 /nfs/dbraw/zinc/36/25/89/984362589.db2.gz XUSHFEJUFQGOJP-UHFFFAOYSA-N 1 0 238.294 2.043 20 30 BEEDRO C=C(CC)CNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001299353656 984364455 /nfs/dbraw/zinc/36/44/55/984364455.db2.gz LHUMFCHEHOEWLZ-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)CCC(=O)N[C@H](C)C[NH2+]CC(=C)C ZINC001274772973 984382041 /nfs/dbraw/zinc/38/20/41/984382041.db2.gz FGCVCQTYFXHESF-GFCCVEGCSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H](C)C[NH2+]CCC ZINC001274938479 984407396 /nfs/dbraw/zinc/40/73/96/984407396.db2.gz NOSYGIBBNAYTSE-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCCCC[N@H+]1CCCC2(CN(C)C2)C1 ZINC001274974459 984432298 /nfs/dbraw/zinc/43/22/98/984432298.db2.gz LBXWXBOAJHVYSY-UHFFFAOYSA-N 1 0 222.376 2.370 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)CCC ZINC001275057794 984468357 /nfs/dbraw/zinc/46/83/57/984468357.db2.gz TZCARKPHDPLIBA-RYUDHWBXSA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)/C(C)=C/C ZINC001275100181 984486168 /nfs/dbraw/zinc/48/61/68/984486168.db2.gz GKKVNCSGKGBAMK-XEVNVYFWSA-N 1 0 236.359 2.061 20 30 BEEDRO C=CC[NH2+]C[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC001275121806 984498363 /nfs/dbraw/zinc/49/83/63/984498363.db2.gz QDWHXGQYLJNOBM-JTQLQIEISA-N 1 0 240.322 2.064 20 30 BEEDRO C=CCC[NH2+]C[C@H](C)NC(=O)C(C)(C)C(C)C ZINC001275167515 984508190 /nfs/dbraw/zinc/50/81/90/984508190.db2.gz DDHQKRMKDZAWJZ-LBPRGKRZSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH2+]CC(=C)C ZINC001275273686 984528483 /nfs/dbraw/zinc/52/84/83/984528483.db2.gz HEJUNHNOQBAYNT-STQMWFEESA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCC=C ZINC001275365028 984545665 /nfs/dbraw/zinc/54/56/65/984545665.db2.gz HVXRUMAFDNRUNF-NEPJUHHUSA-N 1 0 224.348 2.012 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)C=C ZINC001275459990 984567679 /nfs/dbraw/zinc/56/76/79/984567679.db2.gz JEOHWCJLBPBIPH-NEPJUHHUSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)C=C ZINC001275459992 984570404 /nfs/dbraw/zinc/57/04/04/984570404.db2.gz JEOHWCJLBPBIPH-RYUDHWBXSA-N 1 0 238.375 2.258 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)[C@H](C)[NH2+]CC=C ZINC001275480520 984572683 /nfs/dbraw/zinc/57/26/83/984572683.db2.gz IJOAULGJTUVDSR-NWDGAFQWSA-N 1 0 224.348 2.012 20 30 BEEDRO C#CCCCN1CC[C@H]2[C@@H]1CC[N@@H+]2C1CCCC1 ZINC001275975874 984761109 /nfs/dbraw/zinc/76/11/09/984761109.db2.gz QIERCWUJWLRUNJ-HOTGVXAUSA-N 1 0 246.398 2.491 20 30 BEEDRO C#Cc1cccc(NC(=O)CC[NH2+]C(C)(C)C)c1 ZINC000037632894 984819972 /nfs/dbraw/zinc/81/99/72/984819972.db2.gz NDFZEGVTJASIPS-UHFFFAOYSA-N 1 0 244.338 2.385 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)CCC[NH2+]CC(=C)C ZINC001276168264 984823223 /nfs/dbraw/zinc/82/32/23/984823223.db2.gz JWQWEHYVLACTMT-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC(C)(C)C1 ZINC001448900219 984824510 /nfs/dbraw/zinc/82/45/10/984824510.db2.gz HOQBEMPQAOYEQT-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001490822827 984842248 /nfs/dbraw/zinc/84/22/48/984842248.db2.gz NVDBAGJUNLNEEO-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C[C@@H]1CCC[N@H+](C2CCC(C#N)CC2)[C@@H]1CO ZINC001256964736 984844319 /nfs/dbraw/zinc/84/43/19/984844319.db2.gz BWQQLQPBGHLNMF-BLYZHGLHSA-N 1 0 236.359 2.162 20 30 BEEDRO CCN(CC)CC[N@H+](C)C1CCC(C#N)CC1 ZINC001256965351 984847268 /nfs/dbraw/zinc/84/72/68/984847268.db2.gz RWUVMOUDKYJULI-UHFFFAOYSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CC1CCC([N@@H+]2CC[C@H]3OCC[C@H]3C2)CC1 ZINC001256973835 984847451 /nfs/dbraw/zinc/84/74/51/984847451.db2.gz ZKYIGZIUBMYMAF-GNRIBBGQSA-N 1 0 234.343 2.180 20 30 BEEDRO CCC(CC)[NH2+]Cc1ccc(C#N)nc1 ZINC001257291918 984872586 /nfs/dbraw/zinc/87/25/86/984872586.db2.gz YMUUFCSCFDGZMS-UHFFFAOYSA-N 1 0 203.289 2.231 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@](O)(CC)C(F)(F)F ZINC000930253670 984952007 /nfs/dbraw/zinc/95/20/07/984952007.db2.gz XTIGOCWRGCJNLG-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO N#C[C@H]1CCC[N@H+](CCCCCn2cccn2)C1 ZINC000932156694 985013841 /nfs/dbraw/zinc/01/38/41/985013841.db2.gz NBKLVANODZTMBY-CQSZACIVSA-N 1 0 246.358 2.289 20 30 BEEDRO C#CC[N@H+](C[C@@H](O)CCc1ccccc1)C(C)C ZINC000932388333 985014638 /nfs/dbraw/zinc/01/46/38/985014638.db2.gz GXGNIPPCPIHQOV-INIZCTEOSA-N 1 0 245.366 2.324 20 30 BEEDRO C[C@@H](C#N)OCC[NH+]1C2CCCC1CCC2 ZINC000686015154 985044738 /nfs/dbraw/zinc/04/47/38/985044738.db2.gz YICCPMJFMGSNQZ-HIFPTAJRSA-N 1 0 222.332 2.322 20 30 BEEDRO C#CCCCCC[NH2+][C@@]1(CC)CCOC1 ZINC000686675630 985197584 /nfs/dbraw/zinc/19/75/84/985197584.db2.gz BQKPVRFITNJBMP-ZDUSSCGKSA-N 1 0 209.333 2.339 20 30 BEEDRO C#CCCCCC[NH+]1C[C@@]2(C)CN(C)C[C@]2(C)C1 ZINC000686675322 985195968 /nfs/dbraw/zinc/19/59/68/985195968.db2.gz OTPNMCJGKFKVDJ-HZPDHXFCSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCCCCC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000686676476 985197465 /nfs/dbraw/zinc/19/74/65/985197465.db2.gz WBXAIMAJBCBAQM-KBPBESRZSA-N 1 0 223.360 2.130 20 30 BEEDRO C#CCCCCC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000686682627 985201601 /nfs/dbraw/zinc/20/16/01/985201601.db2.gz SEVYGHSFDVEJMW-QLFBSQMISA-N 1 0 235.371 2.273 20 30 BEEDRO C=C(C)CCC(=O)N1CC[N@H+](C2CC2)C[C@@H]1C ZINC001457872575 985243235 /nfs/dbraw/zinc/24/32/35/985243235.db2.gz DTANEJGPQSFPLB-LBPRGKRZSA-N 1 0 236.359 2.038 20 30 BEEDRO CO[C@H]1CC[C@@H](C)[N@H+](CCCCC#N)C1 ZINC000687216810 985268508 /nfs/dbraw/zinc/26/85/08/985268508.db2.gz WYNFYFOIACYRNR-NEPJUHHUSA-N 1 0 210.321 2.180 20 30 BEEDRO CO[C@H]1CC[C@@H](C)[N@H+](CC2(CC#N)CC2)C1 ZINC000687214181 985270801 /nfs/dbraw/zinc/27/08/01/985270801.db2.gz OBSLCBPMZKSCNR-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO N#C[C@@H]1CC=C(c2cc(C[NH3+])ccn2)CC1 ZINC001243786368 985338106 /nfs/dbraw/zinc/33/81/06/985338106.db2.gz HRKBYKOPEJYSLK-SNVBAGLBSA-N 1 0 213.284 2.247 20 30 BEEDRO N#C[C@@H]1CC=C(c2cnc3c(c2)C[NH2+]CC3)CC1 ZINC001243801301 985373864 /nfs/dbraw/zinc/37/38/64/985373864.db2.gz WPSFAWKLJAXJFM-LLVKDONJSA-N 1 0 239.322 2.434 20 30 BEEDRO CC[N@H+](CCOCCC#N)CCC(F)(F)F ZINC000687776600 985380193 /nfs/dbraw/zinc/38/01/93/985380193.db2.gz JNUQFLLQJDKQIP-UHFFFAOYSA-N 1 0 238.253 2.191 20 30 BEEDRO C=C(CC)C[NH+]1CCC(OCCOCC)CC1 ZINC001459307374 985446252 /nfs/dbraw/zinc/44/62/52/985446252.db2.gz BYDAMMFVLHEJJJ-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=CC[N@H+](Cc1cccc(C#N)c1)[C@H](C)[C@@H](C)O ZINC001459401471 985492464 /nfs/dbraw/zinc/49/24/64/985492464.db2.gz UPJOWHBFKVNMCZ-CHWSQXEVSA-N 1 0 244.338 2.316 20 30 BEEDRO N#CCc1cccnc1/C=C/C1CC[NH2+]CC1 ZINC001243892907 985563559 /nfs/dbraw/zinc/56/35/59/985563559.db2.gz LWYUNNLDELJXHL-ONEGZZNKSA-N 1 0 227.311 2.160 20 30 BEEDRO Cc1cc(C#N)cc(/C=C/C2CC[NH2+]CC2)n1 ZINC001243894786 985571436 /nfs/dbraw/zinc/57/14/36/985571436.db2.gz OWAIRCSLQJCVAK-NSCUHMNNSA-N 1 0 227.311 2.275 20 30 BEEDRO CC#Cc1cncc(/C=C/C2CC[NH2+]CC2)c1 ZINC001243895929 985579305 /nfs/dbraw/zinc/57/93/05/985579305.db2.gz AKGUURXMYWPEGY-SNAWJCMRSA-N 1 0 226.323 2.466 20 30 BEEDRO COC(=O)c1cc(C2=C[NH2+]CCC2)ccc1C#N ZINC001243950948 985648194 /nfs/dbraw/zinc/64/81/94/985648194.db2.gz ANXUPJHTQUUSSO-UHFFFAOYSA-N 1 0 242.278 2.069 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCC)C1 ZINC001490863129 985648386 /nfs/dbraw/zinc/64/83/86/985648386.db2.gz GYIWDBPRUOQQNG-AVGNSLFASA-N 1 0 238.375 2.378 20 30 BEEDRO O/N=C/c1cccc(C2=C[NH2+]CCC2)c1 ZINC001243950852 985648820 /nfs/dbraw/zinc/64/88/20/985648820.db2.gz OMCOBIVIXQEWMS-RIYZIHGNSA-N 1 0 202.257 2.219 20 30 BEEDRO N#Cc1c[nH]c2cc(C3=C[NH2+]CCC3)cnc12 ZINC001243952825 985659746 /nfs/dbraw/zinc/65/97/46/985659746.db2.gz VFFYNLYPSMNSNP-UHFFFAOYSA-N 1 0 224.267 2.159 20 30 BEEDRO COc1c(C#N)c(F)ccc1C1=C[NH2+]CCC1 ZINC001243953917 985668047 /nfs/dbraw/zinc/66/80/47/985668047.db2.gz OLVWBFXKRNNZHL-UHFFFAOYSA-N 1 0 232.258 2.430 20 30 BEEDRO C=CCC[N@H+](C)CCOc1ccc2c(c1)OCO2 ZINC001459968114 985681615 /nfs/dbraw/zinc/68/16/15/985681615.db2.gz UPVQVRAYIWVYOD-UHFFFAOYSA-N 1 0 249.310 2.302 20 30 BEEDRO C=CCOCCC[NH2+]CC#Cc1ccccc1 ZINC000691855866 985701324 /nfs/dbraw/zinc/70/13/24/985701324.db2.gz RDCQSBJRSWDEGB-UHFFFAOYSA-N 1 0 229.323 2.220 20 30 BEEDRO N#Cc1ccc(-c2ccc(CC[NH3+])cc2)c(N)c1 ZINC001244088330 985802942 /nfs/dbraw/zinc/80/29/42/985802942.db2.gz JHEVIXAXCSTDBB-UHFFFAOYSA-N 1 0 237.306 2.309 20 30 BEEDRO N#Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)c(N)c1 ZINC001244088200 985804852 /nfs/dbraw/zinc/80/48/52/985804852.db2.gz BUSCUYWUKKWTIT-UHFFFAOYSA-N 1 0 235.290 2.411 20 30 BEEDRO N#Cc1cc(-c2cccc(C[NH3+])c2F)ccc1N ZINC001244117768 985828217 /nfs/dbraw/zinc/82/82/17/985828217.db2.gz VYOFMGRMUAIKLW-UHFFFAOYSA-N 1 0 241.269 2.405 20 30 BEEDRO C#CC[N@H+](CCCC1CC1)C1CSC1 ZINC001460375195 985842704 /nfs/dbraw/zinc/84/27/04/985842704.db2.gz HZWICKYJCAAATQ-UHFFFAOYSA-N 1 0 209.358 2.227 20 30 BEEDRO CCCCC[C@@H](CC)[NH2+][C@@H]1C(=O)N(O)C[C@@H]1C ZINC001258439482 985882562 /nfs/dbraw/zinc/88/25/62/985882562.db2.gz VJJYKXUHLLHRBS-TUAOUCFPSA-N 1 0 242.363 2.171 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@@H](c2ccccc2)CC1 ZINC001460949543 985955417 /nfs/dbraw/zinc/95/54/17/985955417.db2.gz OWNPIZROTFMEKH-OAHLLOKOSA-N 1 0 229.323 2.473 20 30 BEEDRO N#Cc1ccc(C[NH2+]C2([C@@H]3CCCO3)CCC2)o1 ZINC001460952448 985955599 /nfs/dbraw/zinc/95/55/99/985955599.db2.gz ZPADBUFXIAJZEY-ZDUSSCGKSA-N 1 0 246.310 2.343 20 30 BEEDRO C[C@@H]1C[N@H+](CCCCC#N)[C@H](C)CCO1 ZINC001460966240 985964634 /nfs/dbraw/zinc/96/46/34/985964634.db2.gz UWXIGQAIAGTHQM-VXGBXAGGSA-N 1 0 210.321 2.180 20 30 BEEDRO N#Cc1cnccc1-c1ccc2c[nH+]cn2c1 ZINC001244334489 985971542 /nfs/dbraw/zinc/97/15/42/985971542.db2.gz OOPMGEHXJUWXNI-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=C(C)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001460979622 985974582 /nfs/dbraw/zinc/97/45/82/985974582.db2.gz UVCMPTIBOYDUAL-GASCZTMLSA-N 1 0 234.387 2.370 20 30 BEEDRO N#CCC1(C[N@@H+]2CCc3cc(O)ccc3C2)CC1 ZINC001460980754 985976072 /nfs/dbraw/zinc/97/60/72/985976072.db2.gz UBWLHKLVOQXSAT-UHFFFAOYSA-N 1 0 242.322 2.444 20 30 BEEDRO N#Cc1cnccc1-c1cccc2c[nH+]cn21 ZINC001244337416 985984455 /nfs/dbraw/zinc/98/44/55/985984455.db2.gz SNPUWWKRFBKXCU-UHFFFAOYSA-N 1 0 220.235 2.268 20 30 BEEDRO C=CCC[C@H](C)N(CC[NH3+])c1cccnc1 ZINC001258720123 986048893 /nfs/dbraw/zinc/04/88/93/986048893.db2.gz RZJQLWFJTAGUOC-LBPRGKRZSA-N 1 0 219.332 2.201 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC001258719361 986050188 /nfs/dbraw/zinc/05/01/88/986050188.db2.gz BXCNGDXXUAVYHV-MNOVXSKESA-N 1 0 205.305 2.482 20 30 BEEDRO Cc1ccc(C[NH2+]CC2CCC(C#N)CC2)nn1 ZINC001461457819 986060034 /nfs/dbraw/zinc/06/00/34/986060034.db2.gz IENIXDPWWXHZNO-UHFFFAOYSA-N 1 0 244.342 2.205 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ccc(C#N)nc1 ZINC001258724177 986060748 /nfs/dbraw/zinc/06/07/48/986060748.db2.gz PHUGBXBEHPDMRR-NSHDSACASA-N 1 0 215.300 2.398 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCC(=O)[C@@H](F)CC1 ZINC001258724752 986063662 /nfs/dbraw/zinc/06/36/62/986063662.db2.gz DPGQQKZFYZRPKX-QWRGUYRKSA-N 1 0 213.296 2.344 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@](O)(CF)[C@@H](F)C1 ZINC001258725083 986066603 /nfs/dbraw/zinc/06/66/03/986066603.db2.gz HWZPLDOTXLUFGZ-WOPDTQHZSA-N 1 0 233.302 2.086 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1 ZINC001461515456 986068028 /nfs/dbraw/zinc/06/80/28/986068028.db2.gz XFWBCLNJWZMAJO-UHFFFAOYSA-N 1 0 238.290 2.058 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001258726499 986068655 /nfs/dbraw/zinc/06/86/55/986068655.db2.gz SSBGTWCKODVSJR-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@H](O)C[NH+]1CCC2(CCCC2)CC1 ZINC001253575969 986123212 /nfs/dbraw/zinc/12/32/12/986123212.db2.gz HGMBLLOMLCRPIU-LBPRGKRZSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C[C@H](O)C[N@@H+](C)Cc1ccc(C)c(C)c1 ZINC001253583938 986151600 /nfs/dbraw/zinc/15/16/00/986151600.db2.gz BZECQESPOYZHHG-AWEZNQCLSA-N 1 0 219.328 2.282 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CC=C(c2ccccc2)CC1 ZINC001253584476 986154796 /nfs/dbraw/zinc/15/47/96/986154796.db2.gz NKWNUSGJGZDMMN-OAHLLOKOSA-N 1 0 229.323 2.323 20 30 BEEDRO C=C[C@H](O)C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC001253584943 986162007 /nfs/dbraw/zinc/16/20/07/986162007.db2.gz SVKRCKCCYVUAQM-ZFWWWQNUSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@@H](O)C[N@H+]1CCC[C@H]1c1cccc(OC)c1 ZINC001253584941 986168629 /nfs/dbraw/zinc/16/86/29/986168629.db2.gz SVKRCKCCYVUAQM-HIFRSBDPSA-N 1 0 247.338 2.379 20 30 BEEDRO C=C[C@H](O)CNc1ccccc1C[NH+]1CCCC1 ZINC001253589279 986190495 /nfs/dbraw/zinc/19/04/95/986190495.db2.gz MPTRNSGMZKGCGS-AWEZNQCLSA-N 1 0 246.354 2.241 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC12CC3CC(CC(C3)C1)C2 ZINC001253597379 986224464 /nfs/dbraw/zinc/22/44/64/986224464.db2.gz DZXYNRSVICQKLF-IHXHZNKUSA-N 1 0 235.371 2.339 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(F)cc1Cl ZINC001253598454 986226565 /nfs/dbraw/zinc/22/65/65/986226565.db2.gz UJMOJWGFHTWPNO-JTQLQIEISA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc(OC(C)C)c1 ZINC001253598332 986228128 /nfs/dbraw/zinc/22/81/28/986228128.db2.gz RUHPUWODBCXUPZ-CYBMUJFWSA-N 1 0 235.327 2.110 20 30 BEEDRO C[C@H](CC#N)N(C)Cc1cc(F)c(F)cc1O ZINC001461899325 986228002 /nfs/dbraw/zinc/22/80/02/986228002.db2.gz NYJXEGCWSDXLGJ-MRVPVSSYSA-N 1 0 240.253 2.404 20 30 BEEDRO C[C@@H](CC#N)N(C)Cc1cc(F)c(F)cc1O ZINC001461899336 986228416 /nfs/dbraw/zinc/22/84/16/986228416.db2.gz NYJXEGCWSDXLGJ-QMMMGPOBSA-N 1 0 240.253 2.404 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(OCCC)cc1 ZINC001253598576 986228841 /nfs/dbraw/zinc/22/88/41/986228841.db2.gz VURQUBQAJAZKTP-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(C(F)F)cc1 ZINC001253599134 986230121 /nfs/dbraw/zinc/23/01/21/986230121.db2.gz GHAADBFYCZEWOB-LLVKDONJSA-N 1 0 227.254 2.261 20 30 BEEDRO C=C[C@H](O)C[NH2+]Cc1ccc(SC)cc1 ZINC001253598175 986231115 /nfs/dbraw/zinc/23/11/15/986231115.db2.gz POOMKCIVLNFHQU-NSHDSACASA-N 1 0 223.341 2.045 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C(C)(C)c1ccc(OC)cc1 ZINC001253602348 986252442 /nfs/dbraw/zinc/25/24/42/986252442.db2.gz HAAIVTRMGFMIHP-GFCCVEGCSA-N 1 0 235.327 2.067 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1ccc(Cl)cc1F ZINC001253602200 986252557 /nfs/dbraw/zinc/25/25/57/986252557.db2.gz DVCGQKCIAGMXBZ-SNVBAGLBSA-N 1 0 229.682 2.116 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)COc1c(C)cccc1C ZINC001253602817 986252634 /nfs/dbraw/zinc/25/26/34/986252634.db2.gz MBSSZYLGVWFGNB-KGLIPLIRSA-N 1 0 249.354 2.207 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1CC(c2ccccc2)C1 ZINC001253602914 986256650 /nfs/dbraw/zinc/25/66/50/986256650.db2.gz NTLWZAWEILMRGA-JXQTWKCFSA-N 1 0 217.312 2.069 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H]1CCc2cc(C)ccc21 ZINC001253603380 986257155 /nfs/dbraw/zinc/25/71/55/986257155.db2.gz WQLZWEVKELYVAM-OCCSQVGLSA-N 1 0 217.312 2.119 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC001253603298 986258785 /nfs/dbraw/zinc/25/87/85/986258785.db2.gz URYCMWNVNIZEIZ-UTUOFQBUSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC001253604923 986261932 /nfs/dbraw/zinc/26/19/32/986261932.db2.gz NBMFCQNSFHJHDY-PELKAZGASA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC001253604924 986262418 /nfs/dbraw/zinc/26/24/18/986262418.db2.gz NBMFCQNSFHJHDY-PRHODGIISA-N 1 0 227.254 2.162 20 30 BEEDRO C=C[C@H](O)C[NH2+]CC1(Cc2ccccc2C)CC1 ZINC001253606942 986264917 /nfs/dbraw/zinc/26/49/17/986264917.db2.gz OPJUDLLFUOUXSJ-HNNXBMFYSA-N 1 0 245.366 2.454 20 30 BEEDRO C=C[C@@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC001253607588 986270271 /nfs/dbraw/zinc/27/02/71/986270271.db2.gz AKNXOVIRFNJQOO-LLVKDONJSA-N 1 0 243.709 2.158 20 30 BEEDRO C=C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CC1 ZINC001253609469 986276204 /nfs/dbraw/zinc/27/62/04/986276204.db2.gz SSMNUWYZKFQYIB-SNVBAGLBSA-N 1 0 239.265 2.090 20 30 BEEDRO C=C[C@H](O)CNC(=[NH2+])c1c(C)cccc1Cl ZINC001253612441 986286911 /nfs/dbraw/zinc/28/69/11/986286911.db2.gz ZJSWROWBUAVLFU-VIFPVBQESA-N 1 0 238.718 2.110 20 30 BEEDRO C=C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1 ZINC001253611493 986288261 /nfs/dbraw/zinc/28/82/61/986288261.db2.gz QDBNDYUMYFGYPL-SOUVJXGZSA-N 1 0 231.339 2.459 20 30 BEEDRO C=C[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC001253611654 986290094 /nfs/dbraw/zinc/29/00/94/986290094.db2.gz SFFDTWHAGCWOQE-CMPLNLGQSA-N 1 0 223.291 2.332 20 30 BEEDRO C=C[C@@H](O)C[NH2+]Cc1cccc2ccc(C)nc21 ZINC001253612319 986290662 /nfs/dbraw/zinc/29/06/62/986290662.db2.gz YKUOKNNJPBPGMO-CQSZACIVSA-N 1 0 242.322 2.180 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC000707782467 986296201 /nfs/dbraw/zinc/29/62/01/986296201.db2.gz BOMIPOFXLDBHKG-SOUVJXGZSA-N 1 0 234.387 2.110 20 30 BEEDRO C#CCCC[NH2+]C1CC(C(=O)OC(C)(C)C)C1 ZINC001462183164 986308454 /nfs/dbraw/zinc/30/84/54/986308454.db2.gz HFWWEVPLQRJXGN-UHFFFAOYSA-N 1 0 237.343 2.110 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)C(C)C ZINC001462211293 986314606 /nfs/dbraw/zinc/31/46/06/986314606.db2.gz ODBPGHMXBSRBPG-CHWSQXEVSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]CC#Cc1ccccc1 ZINC000384164866 986321487 /nfs/dbraw/zinc/32/14/87/986321487.db2.gz KYKGPMITAIHQES-OAHLLOKOSA-N 1 0 211.308 2.430 20 30 BEEDRO C=CC(C)(C)C[NH2+]C1CC(c2nc(C)no2)C1 ZINC001462245686 986323205 /nfs/dbraw/zinc/32/32/05/986323205.db2.gz BQCMIWNZDVUKKM-UHFFFAOYSA-N 1 0 235.331 2.426 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000226091616 986345607 /nfs/dbraw/zinc/34/56/07/986345607.db2.gz CWHURUYQYYIVTM-HNNXBMFYSA-N 1 0 245.366 2.425 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)CC1 ZINC001253741500 986357178 /nfs/dbraw/zinc/35/71/78/986357178.db2.gz DNNMGKWVYWYHQC-GRYCIOLGSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)(C)[C@H](O)C[NH2+]CCCCCCS ZINC001253752550 986374358 /nfs/dbraw/zinc/37/43/58/986374358.db2.gz WWRKJZSBOIVIAS-LLVKDONJSA-N 1 0 233.421 2.473 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@]2(C)CCCCO2)C1 ZINC001462459314 986397018 /nfs/dbraw/zinc/39/70/18/986397018.db2.gz GMYIYIXQSIKJKA-KBPBESRZSA-N 1 0 221.344 2.291 20 30 BEEDRO C=C/C(=N\COC)c1cccc(C[NH2+]C)c1F ZINC001244859212 986402856 /nfs/dbraw/zinc/40/28/56/986402856.db2.gz GNLUGAZCJFRPFT-FOWTUZBSSA-N 1 0 236.290 2.124 20 30 BEEDRO C=CCC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001096712709 986486798 /nfs/dbraw/zinc/48/67/98/986486798.db2.gz BHCMXCDNYNHWOA-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C1CCC1)C2 ZINC001096710867 986489253 /nfs/dbraw/zinc/48/92/53/986489253.db2.gz UPTSPOGQJPCXCL-MCIONIFRSA-N 1 0 248.370 2.084 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001462664352 986492388 /nfs/dbraw/zinc/49/23/88/986492388.db2.gz GVMPFMGKCVFDMR-HRCADAONSA-N 1 0 248.414 2.500 20 30 BEEDRO N#Cc1cccc(NC[C@H]([NH3+])CC(F)(F)F)c1 ZINC001580078199 986516886 /nfs/dbraw/zinc/51/68/86/986516886.db2.gz OKJBVPNUUSCYKM-SECBINFHSA-N 1 0 243.232 2.250 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2(C3CCOCC3)CC2)C1 ZINC001254639353 986685153 /nfs/dbraw/zinc/68/51/53/986685153.db2.gz UTZUOJDLYGJTEA-DGCLKSJQSA-N 1 0 234.343 2.227 20 30 BEEDRO N#C[C@H]1CC[C@H](N(C(N)=[NH2+])c2ccc(F)cc2)C1 ZINC001254639823 986690253 /nfs/dbraw/zinc/69/02/53/986690253.db2.gz XNWDUWPUARCHGC-CABZTGNLSA-N 1 0 246.289 2.218 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C2(c3cccnc3)CC2)C1 ZINC001254645676 986695599 /nfs/dbraw/zinc/69/55/99/986695599.db2.gz FVJYZJCQHRZKAZ-AAEUAGOBSA-N 1 0 227.311 2.353 20 30 BEEDRO CCCc1cc(C[NH3+])nn1[C@H]1CC[C@@H](C#N)C1 ZINC001254646287 986696919 /nfs/dbraw/zinc/69/69/19/986696919.db2.gz MDQGJZYRQMOTRD-MFKMUULPSA-N 1 0 232.331 2.159 20 30 BEEDRO CC1(C)C[N@H+]([C@@H]2CC[C@H](C#N)C2)[C@](C)(CO)C1 ZINC001254659816 986703773 /nfs/dbraw/zinc/70/37/73/986703773.db2.gz CYDKXBDZVAPYBZ-SCRDCRAPSA-N 1 0 236.359 2.162 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C2(Cc3cccnc3)CC2)C1 ZINC001254657882 986705760 /nfs/dbraw/zinc/70/57/60/986705760.db2.gz SFYUAGZWVQRJHY-OCCSQVGLSA-N 1 0 241.338 2.439 20 30 BEEDRO C[C@]1(CF)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC001254660313 986707795 /nfs/dbraw/zinc/70/77/95/986707795.db2.gz HIVZQDRPODOSNL-SDDRHHMPSA-N 1 0 210.296 2.360 20 30 BEEDRO [NH3+]CCSCC#Cc1cccc(Cl)c1 ZINC001580314980 986742386 /nfs/dbraw/zinc/74/23/86/986742386.db2.gz DUAYMDBLOMZZQT-UHFFFAOYSA-N 1 0 225.744 2.383 20 30 BEEDRO Cc1cc(C)c(C[NH+]2CCC(C#N)CC2)[nH]1 ZINC001137321208 986763167 /nfs/dbraw/zinc/76/31/67/986763167.db2.gz FYLJBUDMRUCRDO-UHFFFAOYSA-N 1 0 217.316 2.367 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCc1cn2ccccc2n1 ZINC001255154057 986826057 /nfs/dbraw/zinc/82/60/57/986826057.db2.gz AJSHYKFKFBRXLH-LBPRGKRZSA-N 1 0 242.326 2.159 20 30 BEEDRO CC[C@@H](CC#N)N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001255156951 986830580 /nfs/dbraw/zinc/83/05/80/986830580.db2.gz UXZPWHJHRLSTEQ-JTQLQIEISA-N 1 0 234.278 2.218 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)[C@H](O)c1cccc(O)c1 ZINC001255157932 986833293 /nfs/dbraw/zinc/83/32/93/986833293.db2.gz ZKRNJPWKHZGUJB-JKOKRWQUSA-N 1 0 248.326 2.096 20 30 BEEDRO C=CCCC(=O)N(C)[C@H](C)C[NH2+]C[C@H](F)CC ZINC001496018845 986833826 /nfs/dbraw/zinc/83/38/26/986833826.db2.gz WUSGLNKTNAJDES-VXGBXAGGSA-N 1 0 244.354 2.137 20 30 BEEDRO C=CCCC(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](F)CC ZINC001496018841 986834241 /nfs/dbraw/zinc/83/42/41/986834241.db2.gz WUSGLNKTNAJDES-RYUDHWBXSA-N 1 0 244.354 2.137 20 30 BEEDRO CC[C@@H](CC#N)[NH+]1CCC2(C[C@H]2CCO)CC1 ZINC001255167179 986842713 /nfs/dbraw/zinc/84/27/13/986842713.db2.gz VPJQKGSMFPXCKY-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000384181157 986846562 /nfs/dbraw/zinc/84/65/62/986846562.db2.gz QDDKQECALYMGBD-RWMBFGLXSA-N 1 0 209.333 2.336 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CNC(=O)C=C(C)C ZINC001265750188 986860792 /nfs/dbraw/zinc/86/07/92/986860792.db2.gz HKGHHKPICKIHCO-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)Cc1ccccc1Cl ZINC000393738385 986865125 /nfs/dbraw/zinc/86/51/25/986865125.db2.gz ACWXPXJLISCSBQ-PWSUYJOCSA-N 1 0 239.746 2.408 20 30 BEEDRO CC[C@H](CC#N)[N@@H+]1CC[C@@H](COCC2CC2)C1 ZINC001255175936 986869593 /nfs/dbraw/zinc/86/95/93/986869593.db2.gz TXKXOCUFHQBZPK-ZIAGYGMSSA-N 1 0 236.359 2.427 20 30 BEEDRO N#Cc1ccc(-c2ccc3c(n2)C[NH2+]CC3)cc1 ZINC001245495385 986874361 /nfs/dbraw/zinc/87/43/61/986874361.db2.gz KZIBMGVEXCBSQD-UHFFFAOYSA-N 1 0 235.290 2.266 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(F)c(OC)c(OC)c1 ZINC001137508417 986937081 /nfs/dbraw/zinc/93/70/81/986937081.db2.gz TYDJJMZIGCGVBN-UHFFFAOYSA-N 1 0 239.290 2.461 20 30 BEEDRO C=CCCC[NH+]1CCC(O)(C(C)C)CC1 ZINC000710579306 986945417 /nfs/dbraw/zinc/94/54/17/986945417.db2.gz GDTYWTJEUXHQIN-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C/C(=N\O)c1ccc(-c2ccncc2C[NH3+])cc1 ZINC001245559982 986952626 /nfs/dbraw/zinc/95/26/26/986952626.db2.gz IGMGBRLAKSFVSL-LICLKQGHSA-N 1 0 241.294 2.406 20 30 BEEDRO N#CCc1ncccc1-c1ccc2c[nH+]cn2c1 ZINC001245897696 987118682 /nfs/dbraw/zinc/11/86/82/987118682.db2.gz WECUGPPBWPKQJR-UHFFFAOYSA-N 1 0 234.262 2.462 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)CNC(=O)/C(C)=C/CC ZINC001495631106 987129345 /nfs/dbraw/zinc/12/93/45/987129345.db2.gz WRGBSGBZSAWCLS-ALFJJAPYSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[NH2+]C[C@@H](C)CC ZINC001491412467 987152888 /nfs/dbraw/zinc/15/28/88/987152888.db2.gz ZYFCQCCGIXFCAC-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@@H](CNC(C)=O)[C@H](C)C1 ZINC001101654826 987185940 /nfs/dbraw/zinc/18/59/40/987185940.db2.gz WDWYLABAZWVJAM-YRGRVCCFSA-N 1 0 238.375 2.045 20 30 BEEDRO C#CCCCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001472134597 987186812 /nfs/dbraw/zinc/18/68/12/987186812.db2.gz ZFILRJIENZWZSC-UHFFFAOYSA-N 1 0 227.267 2.076 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc2c1OCC2 ZINC000693172077 987304235 /nfs/dbraw/zinc/30/42/35/987304235.db2.gz DBDDTBTZZPTGOT-UHFFFAOYSA-N 1 0 215.296 2.125 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](C)C1(CO)CC1 ZINC000695785335 987337346 /nfs/dbraw/zinc/33/73/46/987337346.db2.gz BPBSFHCYJSUYML-GHMZBOCLSA-N 1 0 224.348 2.065 20 30 BEEDRO CCCCCCCC[C@H](O)CN(CC)CC[NH3+] ZINC001246054405 987349434 /nfs/dbraw/zinc/34/94/34/987349434.db2.gz ZLQRWWLPVMWKQB-AWEZNQCLSA-N 1 0 244.423 2.379 20 30 BEEDRO CCCCCCCC[C@@H](O)CN1CC[C@H]1[NH2+]C ZINC001246071094 987356031 /nfs/dbraw/zinc/35/60/31/987356031.db2.gz REEXZUBXAANPGW-KGLIPLIRSA-N 1 0 242.407 2.349 20 30 BEEDRO C#CC[N@H+](CC1CC1)C[C@@](C)(O)c1ccccc1 ZINC001473288171 987391769 /nfs/dbraw/zinc/39/17/69/987391769.db2.gz SCXZLIVMONHJQB-MRXNPFEDSA-N 1 0 243.350 2.239 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]CCNc2ncccc2C#N)C1 ZINC001116132214 987453439 /nfs/dbraw/zinc/45/34/39/987453439.db2.gz XYYDTTBVLBGBQM-AAEUAGOBSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@@H]1CC[C@H](NC2(C#N)CCCCCC2)C[NH2+]1 ZINC001246194114 987584203 /nfs/dbraw/zinc/58/42/03/987584203.db2.gz ZILKOXJWUGISKT-OLZOCXBDSA-N 1 0 235.375 2.333 20 30 BEEDRO C=CCC[C@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F ZINC001473857600 987585582 /nfs/dbraw/zinc/58/55/82/987585582.db2.gz XWCXBLPWSFJAAO-UWVGGRQHSA-N 1 0 237.265 2.340 20 30 BEEDRO C[C@@H]1CC[C@@H](NC2(C#N)CCCCCC2)C[NH2+]1 ZINC001246194113 987585835 /nfs/dbraw/zinc/58/58/35/987585835.db2.gz ZILKOXJWUGISKT-CHWSQXEVSA-N 1 0 235.375 2.333 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)[C@H](C)CCO1 ZINC001473893857 987605841 /nfs/dbraw/zinc/60/58/41/987605841.db2.gz XKYVPCWMJNUXJM-VXGBXAGGSA-N 1 0 242.388 2.133 20 30 BEEDRO CCC#C[C@@H](C)[NH+]1CCC(c2cncn2C)CC1 ZINC001473894787 987605864 /nfs/dbraw/zinc/60/58/64/987605864.db2.gz QSBGGXWYTMCSPF-CYBMUJFWSA-N 1 0 245.370 2.401 20 30 BEEDRO C=CCC[NH2+][C@@](C)(CC(=O)OC)c1cccnc1 ZINC001473910364 987617833 /nfs/dbraw/zinc/61/78/33/987617833.db2.gz QROHAZXHABBRDH-AWEZNQCLSA-N 1 0 248.326 2.026 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](CCSCC)C1 ZINC001116540993 987622988 /nfs/dbraw/zinc/62/29/88/987622988.db2.gz ZDZCTCNBFKRCTN-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccccc1-n1cncn1 ZINC001474005484 987629723 /nfs/dbraw/zinc/62/97/23/987629723.db2.gz BBGIXIHLYGGAIS-LBPRGKRZSA-N 1 0 242.326 2.322 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccn(CC)n1 ZINC001474128538 987645989 /nfs/dbraw/zinc/64/59/89/987645989.db2.gz WFBLRIVWLPZLPJ-NSHDSACASA-N 1 0 207.321 2.347 20 30 BEEDRO C=C[C@H](COC)[NH2+]Cc1cccc2cc[nH]c21 ZINC001116620193 987646455 /nfs/dbraw/zinc/64/64/55/987646455.db2.gz GNFGKNWXWXPAJC-CYBMUJFWSA-N 1 0 230.311 2.459 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC001116621569 987648684 /nfs/dbraw/zinc/64/86/84/987648684.db2.gz XTTHODMIFSBHOB-AGIUHOORSA-N 1 0 241.375 2.369 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC001116644066 987657755 /nfs/dbraw/zinc/65/77/55/987657755.db2.gz WUNFYFPPHYPDAK-AGIUHOORSA-N 1 0 239.359 2.125 20 30 BEEDRO CC#CCC[NH2+][C@H](C)CC(C)(C)CC(=O)OC ZINC001474407902 987716836 /nfs/dbraw/zinc/71/68/36/987716836.db2.gz HPYVZNBNGRAMCP-GFCCVEGCSA-N 1 0 239.359 2.357 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001474461950 987730121 /nfs/dbraw/zinc/73/01/21/987730121.db2.gz YEUUCVXLGFNFBZ-NWDGAFQWSA-N 1 0 227.348 2.472 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(F)cn1)CC1CC1 ZINC001116855268 987733079 /nfs/dbraw/zinc/73/30/79/987733079.db2.gz DIYOCNOZNMNYDN-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO CC[C@H](CC#N)N[C@@]12CC[C@@]([NH3+])(C1)CCC2 ZINC001246337707 987746050 /nfs/dbraw/zinc/74/60/50/987746050.db2.gz BPERYWHGUGLFNR-UPJWGTAASA-N 1 0 221.348 2.072 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H]2COC[C@H]12 ZINC001474543925 987756378 /nfs/dbraw/zinc/75/63/78/987756378.db2.gz IGWDGGFUGQVVCF-GRYCIOLGSA-N 1 0 209.333 2.213 20 30 BEEDRO C#C[C@H](CO)[NH2+]C[C@H](C)c1cccc(Cl)c1 ZINC001474648802 987792366 /nfs/dbraw/zinc/79/23/66/987792366.db2.gz OZXXPFNKMQRPIR-GXFFZTMASA-N 1 0 237.730 2.027 20 30 BEEDRO C#CC1([NH2+]Cc2ccc3nonc3c2)CCCC1 ZINC001474682581 987798307 /nfs/dbraw/zinc/79/83/07/987798307.db2.gz MTOQQMSEWNQYAL-UHFFFAOYSA-N 1 0 241.294 2.258 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@H](CO)c1ncc[nH]1 ZINC001474724783 987809717 /nfs/dbraw/zinc/80/97/17/987809717.db2.gz XCARGLSIRJMMFE-NWDGAFQWSA-N 1 0 237.347 2.168 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001474724784 987810179 /nfs/dbraw/zinc/81/01/79/987810179.db2.gz XCARGLSIRJMMFE-RYUDHWBXSA-N 1 0 237.347 2.168 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+][C@@H](CO)c1ncc[nH]1 ZINC001474724270 987811199 /nfs/dbraw/zinc/81/11/99/987811199.db2.gz PZLPEYVZHXCJEG-NEPJUHHUSA-N 1 0 237.347 2.168 20 30 BEEDRO Cl/C=C/C[NH2+]CC#Cc1ccccc1 ZINC001474742092 987812426 /nfs/dbraw/zinc/81/24/26/987812426.db2.gz YTOYMKZVBZQMDU-WEVVVXLNSA-N 1 0 205.688 2.380 20 30 BEEDRO CC(C)C[C@](C)(C#N)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246465333 987823051 /nfs/dbraw/zinc/82/30/51/987823051.db2.gz VXVCCDNWSJXYQC-RWMBFGLXSA-N 1 0 223.364 2.045 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC(=C)C)C1 ZINC001479299216 987896356 /nfs/dbraw/zinc/89/63/56/987896356.db2.gz NFBOJRMVGVZQKJ-BETUJISGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C=C(C)C)C1 ZINC001479278206 987896824 /nfs/dbraw/zinc/89/68/24/987896824.db2.gz RXEOODKNOCPSQE-BETUJISGSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)CC)[C@H]1CC ZINC001479629240 987901444 /nfs/dbraw/zinc/90/14/44/987901444.db2.gz VSSBDWCEXISBKT-FRRDWIJNSA-N 1 0 238.375 2.188 20 30 BEEDRO CCCCCCC[NH2+]C1CC(CNC(C)=O)C1 ZINC001479751706 987906210 /nfs/dbraw/zinc/90/62/10/987906210.db2.gz PGOOSUKKKDJUJR-UHFFFAOYSA-N 1 0 240.391 2.461 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C(C)C ZINC001479732615 987907584 /nfs/dbraw/zinc/90/75/84/987907584.db2.gz PMHNYLOITOIYTN-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCCCC[NH2+]C1CC(CNC(C)=O)C1 ZINC001479751092 987909050 /nfs/dbraw/zinc/90/90/50/987909050.db2.gz BERMMAKNXHJHKR-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C(CC)CC ZINC001321463361 987915218 /nfs/dbraw/zinc/91/52/18/987915218.db2.gz AJGQSIRDBRZSDX-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC1CCC1 ZINC001321481537 987919663 /nfs/dbraw/zinc/91/96/63/987919663.db2.gz WZILOXUJZRPZIU-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[N@H+](CC)CCCNC(=O)CC1CCC1 ZINC001479840795 987922828 /nfs/dbraw/zinc/92/28/28/987922828.db2.gz HPROIHWJPYAAJD-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[NH+]1CCC2(C[C@@H]2NC(=O)C=C(C)C)CC1 ZINC001479973771 987933504 /nfs/dbraw/zinc/93/35/04/987933504.db2.gz GCESBTXEJUPPSH-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C(C)(CC)CC)C1 ZINC001479970975 987937186 /nfs/dbraw/zinc/93/71/86/987937186.db2.gz CPPLJATZIHJUNG-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)CCC(C)C)C1CC1 ZINC001480002917 987937931 /nfs/dbraw/zinc/93/79/31/987937931.db2.gz YMUZJHKLTDFKQH-ZDUSSCGKSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C(C)C)C1 ZINC001480162340 987950256 /nfs/dbraw/zinc/95/02/56/987950256.db2.gz PRTBJCMXDGJVMS-JHJVBQTASA-N 1 0 238.375 2.091 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]C(C)C)C1 ZINC001480153866 987952688 /nfs/dbraw/zinc/95/26/88/987952688.db2.gz ROCBMMCSDMVTMP-HAQNSBGRSA-N 1 0 238.375 2.234 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)C1CC1 ZINC001321617955 987953106 /nfs/dbraw/zinc/95/31/06/987953106.db2.gz RCFMNERWQMLSHD-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]C[C@@H](C)NC(=O)C1(C)CC(=C)C1 ZINC001321637327 987956315 /nfs/dbraw/zinc/95/63/15/987956315.db2.gz MFHYDTBNTJHAOD-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+]C[C@H]1CCCN(C(=O)CCC)C1 ZINC001480270556 987959640 /nfs/dbraw/zinc/95/96/40/987959640.db2.gz GPRXFOJINNSJOW-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)c1cccc(C)c1 ZINC001480419153 987971440 /nfs/dbraw/zinc/97/14/40/987971440.db2.gz DIXBYOYWXGKBRS-ZDUSSCGKSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](C)[NH2+]CCC1CC1 ZINC001480517965 987994635 /nfs/dbraw/zinc/99/46/35/987994635.db2.gz MEVGADVKALIVEK-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C=C(C)C ZINC001321780005 987999897 /nfs/dbraw/zinc/99/98/97/987999897.db2.gz RADQEIPAAPYQND-LBPRGKRZSA-N 1 0 224.348 2.013 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC ZINC001321800452 988001987 /nfs/dbraw/zinc/00/19/87/988001987.db2.gz GEDHTQZMCHIKJW-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(C)CCC(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001321860312 988030315 /nfs/dbraw/zinc/03/03/15/988030315.db2.gz NEZPCXMLRZPDGK-ZDUSSCGKSA-N 1 0 238.375 2.403 20 30 BEEDRO CC[NH+](CC)CCCNc1cccc(CC#N)n1 ZINC001321919529 988048975 /nfs/dbraw/zinc/04/89/75/988048975.db2.gz ZSCMRMJMUKFLHL-UHFFFAOYSA-N 1 0 246.358 2.291 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)CC(C)(C)C ZINC001480842552 988050109 /nfs/dbraw/zinc/05/01/09/988050109.db2.gz NFOFTXXGLVJUNG-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C[C@@H](CCCC#N)[N@@H+]1C[C@H](C)CC[C@H]1CN ZINC001246571564 988060403 /nfs/dbraw/zinc/06/04/03/988060403.db2.gz VSHZQQQENYMVLF-AGIUHOORSA-N 1 0 223.364 2.128 20 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BEEDRO C=C(C)CC[NH2+]CCN(C)C(=O)CC(C)(F)F ZINC001493685610 988106838 /nfs/dbraw/zinc/10/68/38/988106838.db2.gz XUAANZKMNLRRKG-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1CC ZINC001493703061 988108602 /nfs/dbraw/zinc/10/86/02/988108602.db2.gz XQTORHIKKDSXLJ-CHWSQXEVSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)c1ccc(C)c(C)c1 ZINC001493781016 988110198 /nfs/dbraw/zinc/11/01/98/988110198.db2.gz WSGYRISUDKGDHH-UHFFFAOYSA-N 1 0 246.354 2.151 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)C ZINC001493769817 988112135 /nfs/dbraw/zinc/11/21/35/988112135.db2.gz SGOCOJZLHYJFDY-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCCC(=O)NCC[C@H]1CC[N@@H+](CCC)C1 ZINC001493996436 988120322 /nfs/dbraw/zinc/12/03/22/988120322.db2.gz FWXIZGWDQACRHQ-ZDUSSCGKSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[N@@H+](C)C[C@H](C)NC(=O)CCCC ZINC001322115964 988126905 /nfs/dbraw/zinc/12/69/05/988126905.db2.gz DBTKOAZFPLLHQG-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCc1ccc(F)cc1F ZINC001322140097 988142520 /nfs/dbraw/zinc/14/25/20/988142520.db2.gz IFPWPWLBKJYBGG-SNVBAGLBSA-N 1 0 223.266 2.461 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[N@H+](C)CC(=C)C ZINC001322219853 988155417 /nfs/dbraw/zinc/15/54/17/988155417.db2.gz XVJOTASDRABIMI-GFCCVEGCSA-N 1 0 238.375 2.211 20 30 BEEDRO C=CC[NH+]1CC(CNC(=O)CC[C@H](C)CC)C1 ZINC001494607847 988163365 /nfs/dbraw/zinc/16/33/65/988163365.db2.gz ZPVXAGWHWLUSOZ-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC1C[NH+](C(C)C)C1 ZINC001494600938 988165588 /nfs/dbraw/zinc/16/55/88/988165588.db2.gz URWNTIPJZLIYAL-UHFFFAOYSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CCC(=O)N[C@H]1CC[N@@H+](CC(C)C)C1 ZINC001494704828 988174961 /nfs/dbraw/zinc/17/49/61/988174961.db2.gz YNKZMSLGHXILTR-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C1 ZINC001494848925 988188127 /nfs/dbraw/zinc/18/81/27/988188127.db2.gz UDVUORHRHOKFDS-TZMCWYRMSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](C)CC)C1 ZINC001494823477 988190724 /nfs/dbraw/zinc/19/07/24/988190724.db2.gz WUNFHPQHWRVPJJ-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CCCc1nnc(CC[NH+]2CCC(C)CC2)o1 ZINC001322289451 988191015 /nfs/dbraw/zinc/19/10/15/988191015.db2.gz NEICQCFODDCUOS-UHFFFAOYSA-N 1 0 249.358 2.463 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CCCC)C1 ZINC001494880070 988190957 /nfs/dbraw/zinc/19/09/57/988190957.db2.gz DNUXNPCHNRKRPT-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CC[NH2+][C@H](CC)CNC(=O)/C=C(/C)CC ZINC001494979765 988207440 /nfs/dbraw/zinc/20/74/40/988207440.db2.gz VNIXJBRDSNJHBF-UCQJPZFISA-N 1 0 224.348 2.013 20 30 BEEDRO C=CC[NH2+][C@@H](CC)CNC(=O)CCC(C)(F)F ZINC001495015066 988209218 /nfs/dbraw/zinc/20/92/18/988209218.db2.gz ZOMYXAVFLUKSJH-JTQLQIEISA-N 1 0 248.317 2.092 20 30 BEEDRO C=C(C)C[NH2+][C@H](CC)CNC(=O)C1(CC)CC1 ZINC001495049195 988210225 /nfs/dbraw/zinc/21/02/25/988210225.db2.gz IAINJFKVGXNZLF-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccoc1 ZINC001495545075 988226627 /nfs/dbraw/zinc/22/66/27/988226627.db2.gz IOCWMMZCPPDGPB-CYBMUJFWSA-N 1 0 248.326 2.050 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)CC ZINC001496001649 988270210 /nfs/dbraw/zinc/27/02/10/988270210.db2.gz ISNVDLRBFZANQR-RYUDHWBXSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+]CC[C@H]1CCCCN1C(C)=O ZINC001496377442 988295459 /nfs/dbraw/zinc/29/54/59/988295459.db2.gz UCAKJJVFALSGJF-CQSZACIVSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]([NH2+]CCC)C(C)C ZINC001496567526 988304818 /nfs/dbraw/zinc/30/48/18/988304818.db2.gz RJWRINGPJJGSBO-ZDUSSCGKSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]C(C)C ZINC001496873376 988335045 /nfs/dbraw/zinc/33/50/45/988335045.db2.gz ITSLSQUTUVPEIE-CHWSQXEVSA-N 1 0 238.375 2.236 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1CCC(OCC)CC1 ZINC001118428599 988343123 /nfs/dbraw/zinc/34/31/23/988343123.db2.gz VFHHZCLOJVVESF-HIFPTAJRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)CC[NH2+]CC1CCC1 ZINC001497156845 988363212 /nfs/dbraw/zinc/36/32/12/988363212.db2.gz YEJXAXMXNYPLRD-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)C(C)(C)CC=C ZINC001497460256 988382249 /nfs/dbraw/zinc/38/22/49/988382249.db2.gz MEKDTRBRMIHYPI-UHFFFAOYSA-N 1 0 238.375 2.213 20 30 BEEDRO C=C(C)C[NH2+]C/C=C/CNC(=O)/C(C)=C\CC ZINC001497537360 988390332 /nfs/dbraw/zinc/39/03/32/988390332.db2.gz MNUZCVKHZJZWJY-ZLXMBHDQSA-N 1 0 236.359 2.181 20 30 BEEDRO C=C1C[C@@H]2CC([N@H+]3CCNC[C@@H]3C)C[C@H](C1)C2 ZINC001246672140 988416895 /nfs/dbraw/zinc/41/68/95/988416895.db2.gz KAKJFVQQLRWDEF-RDGKXADDSA-N 1 0 234.387 2.415 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](C)NC(=O)/C=C(\C)CC ZINC001497812470 988424437 /nfs/dbraw/zinc/42/44/37/988424437.db2.gz OQYGCCRTFQVSCV-RSKUSDAESA-N 1 0 238.375 2.403 20 30 BEEDRO C=C(C)C[NH2+]C[C@H](C)NC(=O)CCCCC ZINC001498013442 988434744 /nfs/dbraw/zinc/43/47/44/988434744.db2.gz NPTSTQKEYKLAHL-LBPRGKRZSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N[C@H](C[NH2+]CC)C1CC1 ZINC001323064779 988442471 /nfs/dbraw/zinc/44/24/71/988442471.db2.gz RCVCADVBXWVDQR-OCCSQVGLSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCC[C@@H](C)[N@@H+]1CCNC[C@@H]1CO ZINC001246703854 988443768 /nfs/dbraw/zinc/44/37/68/988443768.db2.gz WGWPMWJBKUXAIX-ZIAGYGMSSA-N 1 0 242.407 2.002 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](C)NC(=O)C1CC(C)C1 ZINC001498026638 988445252 /nfs/dbraw/zinc/44/52/52/988445252.db2.gz QWIAORFPLFUUSP-CPCZMJQVSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCNC[C@H]1C(C)C ZINC001246698058 988448028 /nfs/dbraw/zinc/44/80/28/988448028.db2.gz UVUXLXWEEHPRJR-STQMWFEESA-N 1 0 210.365 2.271 20 30 BEEDRO CCCCN(CCC#N)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246769475 988453072 /nfs/dbraw/zinc/45/30/72/988453072.db2.gz KLIFTCJJAHIXKG-STQMWFEESA-N 1 0 223.364 2.143 20 30 BEEDRO C[C@@H]1CC[C@@H](N(CCC#N)C2CCCC2)C[NH2+]1 ZINC001246770755 988454222 /nfs/dbraw/zinc/45/42/22/988454222.db2.gz SEXYHBGGBCACAQ-TZMCWYRMSA-N 1 0 235.375 2.285 20 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2.153 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C(C)C ZINC001499070367 988529838 /nfs/dbraw/zinc/52/98/38/988529838.db2.gz DBUZSJKUXDYACA-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C[C@H]1CC[C@H](N(CC#N)Cc2ccccc2)C[NH2+]1 ZINC001246836286 988541546 /nfs/dbraw/zinc/54/15/46/988541546.db2.gz WDUGCAOGRLCMAQ-ZFWWWQNUSA-N 1 0 243.354 2.153 20 30 BEEDRO C=CCCC[NH2+]C1(CNC(=O)C=C2CCC2)CC1 ZINC001499198936 988543464 /nfs/dbraw/zinc/54/34/64/988543464.db2.gz OZSKLWKWXJKBFS-UHFFFAOYSA-N 1 0 248.370 2.301 20 30 BEEDRO C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C1=CCCC1 ZINC001499888686 988565068 /nfs/dbraw/zinc/56/50/68/988565068.db2.gz WJLDVIGYELPVTB-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cccnc2C)C1 ZINC001323906733 988646620 /nfs/dbraw/zinc/64/66/20/988646620.db2.gz GRQPMKCYEAESME-AWEZNQCLSA-N 1 0 232.327 2.167 20 30 BEEDRO CN(C[C@@H]1CCC[NH2+]1)C1CCC(CC#N)CC1 ZINC001246888895 988657037 /nfs/dbraw/zinc/65/70/37/988657037.db2.gz LMRRICPTEKMCIF-MOKVOYLWSA-N 1 0 235.375 2.143 20 30 BEEDRO C#CCC[NH2+][C@@H](C)CCNC(=O)C/C=C(\C)C=C ZINC001503421839 988661636 /nfs/dbraw/zinc/66/16/36/988661636.db2.gz MAYXALKIZRTMFZ-CZAWJFPGSA-N 1 0 248.370 2.017 20 30 BEEDRO C#CCO[NH+]=Cc1ccccc1N1CCCC1 ZINC001324014566 988669043 /nfs/dbraw/zinc/66/90/43/988669043.db2.gz OPOOQCJDVMHXOV-UHFFFAOYSA-N 1 0 228.295 2.271 20 30 BEEDRO C=CCC[NH2+][C@H]1CCN(C(=O)CCC)[C@H](C)C1 ZINC001324040329 988674893 /nfs/dbraw/zinc/67/48/93/988674893.db2.gz ANUDUNGJCMZCNN-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)[C@H]1CCCO1 ZINC001118908950 988687818 /nfs/dbraw/zinc/68/78/18/988687818.db2.gz NNOSIXJJNDYTQF-MFGQWXODSA-N 1 0 233.355 2.191 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cccc(C)c1 ZINC001505550100 988688119 /nfs/dbraw/zinc/68/81/19/988688119.db2.gz GDAXHSMXMLZNLV-CHWSQXEVSA-N 1 0 246.354 2.277 20 30 BEEDRO C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(CC)CC ZINC001505561235 988696498 /nfs/dbraw/zinc/69/64/98/988696498.db2.gz JTFWURMGFWKTIO-VXGBXAGGSA-N 1 0 240.391 2.482 20 30 BEEDRO C=CCC[C@@H](C)N(C)[C@]1(C)CCC[NH2+]C1 ZINC001246914552 988707393 /nfs/dbraw/zinc/70/73/93/988707393.db2.gz SMNSBIAEDMZNGQ-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C#C[C@@H](NCc1cc(C)n[nH]1)c1ccc(F)cc1 ZINC001324270388 988775785 /nfs/dbraw/zinc/77/57/85/988775785.db2.gz QUTTUNUWLKUZPM-CQSZACIVSA-N 1 0 243.285 2.321 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C)(NC(=O)CC)CC1 ZINC001324291430 988782330 /nfs/dbraw/zinc/78/23/30/988782330.db2.gz KPACGMVGYJERBL-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH+]1CCC(C)(NC(=O)[C@@H](C)CC)CC1 ZINC001324296220 988783897 /nfs/dbraw/zinc/78/38/97/988783897.db2.gz PIXCIRFFBANYDU-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1C[C@H]1C ZINC001506546714 988786958 /nfs/dbraw/zinc/78/69/58/988786958.db2.gz PDHPSAQBDVUOIR-FRRDWIJNSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)F ZINC001506908792 988796297 /nfs/dbraw/zinc/79/62/97/988796297.db2.gz PNLRDLHOGIEDBB-NSHDSACASA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+][C@H](CCNC(=O)C(C)(C)F)C(C)C ZINC001506983748 988801825 /nfs/dbraw/zinc/80/18/25/988801825.db2.gz MKCJDKCQCBQABI-LLVKDONJSA-N 1 0 244.354 2.041 20 30 BEEDRO C=C[C@H](COC)[NH2+]C1CCC(C)(C#N)CC1 ZINC001324368274 988814838 /nfs/dbraw/zinc/81/48/38/988814838.db2.gz HSAQSFYTUKHVKJ-PNESKVBLSA-N 1 0 222.332 2.249 20 30 BEEDRO CC[C@H](N)C[N@H+](C)C1CCC(CC#N)CC1 ZINC001246982679 988816390 /nfs/dbraw/zinc/81/63/90/988816390.db2.gz ZYFUNCOKHCPYML-CPCZMJQVSA-N 1 0 223.364 2.128 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@H]([NH2+]CC)[C@H]1C ZINC001507279671 988831844 /nfs/dbraw/zinc/83/18/44/988831844.db2.gz AOFUFFOLPZWDJO-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)/C(C)=C/C)C(C)(C)C ZINC001507907379 988846307 /nfs/dbraw/zinc/84/63/07/988846307.db2.gz NAYCPEKXYMEZPE-OBIHZWKSSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CC[NH2+]C[C@H](NC(=O)C(C)(C)C)C(C)(C)C ZINC001508035695 988848357 /nfs/dbraw/zinc/84/83/57/988848357.db2.gz HWCSJJUKGNRLNF-NSHDSACASA-N 1 0 240.391 2.339 20 30 BEEDRO C=CCCC(=O)N(C)C1CC([NH2+]CC(=C)C)C1 ZINC001508099903 988851314 /nfs/dbraw/zinc/85/13/14/988851314.db2.gz XLZBCFUJJSJRKC-UHFFFAOYSA-N 1 0 236.359 2.108 20 30 BEEDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)CCC#N)cnn1C ZINC001119238939 988855103 /nfs/dbraw/zinc/85/51/03/988855103.db2.gz CLIWPXDMHRYDQD-WDEREUQCSA-N 1 0 234.347 2.319 20 30 BEEDRO COC1(C[N@@H+]2Cc3ccc(C#N)cc3C2)CCC1 ZINC001119247016 988863018 /nfs/dbraw/zinc/86/30/18/988863018.db2.gz OGQKRHJTKOBOHH-UHFFFAOYSA-N 1 0 242.322 2.443 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]C[C@H](C)CCC#N)C1 ZINC001119302865 988906454 /nfs/dbraw/zinc/90/64/54/988906454.db2.gz VNZGFOLXYFBKTB-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC001119302869 988910559 /nfs/dbraw/zinc/91/05/59/988910559.db2.gz VNZGFOLXYFBKTB-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cccn1C1CC1 ZINC001324663540 988919931 /nfs/dbraw/zinc/91/99/31/988919931.db2.gz UWNLRGXAOPNXHQ-NSHDSACASA-N 1 0 202.301 2.277 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001119309520 988924259 /nfs/dbraw/zinc/92/42/59/988924259.db2.gz YHIOGZMLTDGKOH-QWHCGFSZSA-N 1 0 239.359 2.078 20 30 BEEDRO C#CC[N@@H+](CC[C@H](O)c1ccccc1)CC1CC1 ZINC001119309571 988924909 /nfs/dbraw/zinc/92/49/09/988924909.db2.gz YMXMHIKIEHZBJZ-INIZCTEOSA-N 1 0 243.350 2.455 20 30 BEEDRO C=CC[NH2+]C[C@]1(C)CCN(C(=O)C2=CCCC2)C1 ZINC001324716678 988940571 /nfs/dbraw/zinc/94/05/71/988940571.db2.gz ZPYYOWMVRMDEHO-HNNXBMFYSA-N 1 0 248.370 2.111 20 30 BEEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)CCC)[C@H]1C ZINC001278492612 989012594 /nfs/dbraw/zinc/01/25/94/989012594.db2.gz FPHNPHWMPZFDND-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C#N)cc1)CC1CC1 ZINC001325002389 989054139 /nfs/dbraw/zinc/05/41/39/989054139.db2.gz XFUVMYZDQBDWDG-UHFFFAOYSA-N 1 0 224.307 2.403 20 30 BEEDRO Cc1ccoc1C[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC001119450070 989083838 /nfs/dbraw/zinc/08/38/38/989083838.db2.gz LRLPVBRWQYZMEN-BETUJISGSA-N 1 0 247.342 2.006 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(C)cc1OC ZINC001325117151 989090214 /nfs/dbraw/zinc/09/02/14/989090214.db2.gz HODFJXJBPLBRSO-ZDUSSCGKSA-N 1 0 235.327 2.294 20 30 BEEDRO C[C@H](CCC#N)[NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC001325196569 989115156 /nfs/dbraw/zinc/11/51/56/989115156.db2.gz KYKYTYQJNRRPTD-LPWJVIDDSA-N 1 0 236.359 2.472 20 30 BEEDRO C#Cc1ccc(NCCC[N@@H+](C)CC(C)C)nc1 ZINC001515850151 989124271 /nfs/dbraw/zinc/12/42/71/989124271.db2.gz DGTVMCDOMWLSPK-UHFFFAOYSA-N 1 0 245.370 2.453 20 30 BEEDRO CCc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC001248743319 989141325 /nfs/dbraw/zinc/14/13/25/989141325.db2.gz UZIAVRSJSLXBLL-OAHLLOKOSA-N 1 0 244.338 2.077 20 30 BEEDRO C=C[C@@H](COC)[NH2+]Cc1ccc(N(C)C)cc1C ZINC001325291107 989146061 /nfs/dbraw/zinc/14/60/61/989146061.db2.gz SOCSVPRODMORMD-AWEZNQCLSA-N 1 0 248.370 2.352 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cnn3ccc(C#N)cc23)C1 ZINC001249082331 989249590 /nfs/dbraw/zinc/24/95/90/989249590.db2.gz OSYPNGNQFUVJEA-NSHDSACASA-N 1 0 240.310 2.048 20 30 BEEDRO C#CC[N@@H+](C)Cc1cc(F)cc2cc[nH]c21 ZINC001249524750 989301832 /nfs/dbraw/zinc/30/18/32/989301832.db2.gz LIIMIQPCDJYVOO-UHFFFAOYSA-N 1 0 216.259 2.372 20 30 BEEDRO C=C[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC001119700390 989348849 /nfs/dbraw/zinc/34/88/49/989348849.db2.gz FXODNSGSJXYZKU-YEJSDXFRSA-N 1 0 227.373 2.204 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)c1cccc(C)c1 ZINC001119772341 989398546 /nfs/dbraw/zinc/39/85/46/989398546.db2.gz WDOAYOFHVOJRIA-CQSZACIVSA-N 1 0 231.339 2.372 20 30 BEEDRO C[C@@H]1CC[N@H+](CC2CCC(C#N)CC2)[C@H]1CO ZINC001119840977 989433254 /nfs/dbraw/zinc/43/32/54/989433254.db2.gz DQEVITHQJSQOTM-RYSNWHEDSA-N 1 0 236.359 2.019 20 30 BEEDRO C=C(CC(C)C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC001520323647 989545147 /nfs/dbraw/zinc/54/51/47/989545147.db2.gz MLYJQEMMXKETLF-BETUJISGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(CC)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC001520339440 989548021 /nfs/dbraw/zinc/54/80/21/989548021.db2.gz USHIUANEOZLLOP-CYBMUJFWSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCC(F)(F)F ZINC001120007293 989561312 /nfs/dbraw/zinc/56/13/12/989561312.db2.gz NZFDCCHAAJUFLG-UHFFFAOYSA-N 1 0 217.234 2.287 20 30 BEEDRO C#CC[N@H+](Cc1cnn2ccccc12)C(C)C ZINC001120071760 989588170 /nfs/dbraw/zinc/58/81/70/989588170.db2.gz WLTNPTMKDHKCRE-UHFFFAOYSA-N 1 0 227.311 2.178 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2ccc(N)cc2)C1 ZINC001120268788 989620603 /nfs/dbraw/zinc/62/06/03/989620603.db2.gz JDTDTTVKRPNHRA-AWEZNQCLSA-N 1 0 232.327 2.046 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC001120353787 989632520 /nfs/dbraw/zinc/63/25/20/989632520.db2.gz PDCUXUWWMNXWJW-INIZCTEOSA-N 1 0 237.368 2.478 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@@H]1C[NH2+]CCC ZINC001326691311 989652753 /nfs/dbraw/zinc/65/27/53/989652753.db2.gz NJZZFZZYSXHTMZ-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)NCC1(CC)CCC1 ZINC001521333061 989682738 /nfs/dbraw/zinc/68/27/38/989682738.db2.gz JBXIAARHBMDJKJ-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C(CC(C)C)C(=O)N(CC)CCC[NH+](C)C ZINC001521400922 989700472 /nfs/dbraw/zinc/70/04/72/989700472.db2.gz WSWCNNGSRPVLBC-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC001521534184 989732397 /nfs/dbraw/zinc/73/23/97/989732397.db2.gz SOIHQVBGURCOSF-OLZOCXBDSA-N 1 0 238.375 2.176 20 30 BEEDRO C=C(CC)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC001521575571 989745888 /nfs/dbraw/zinc/74/58/88/989745888.db2.gz MJCWUFKTVWVETB-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO CC[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1CC1 ZINC001120590649 989760729 /nfs/dbraw/zinc/76/07/29/989760729.db2.gz PNMNJRQJPPTBBD-ZYHUDNBSSA-N 1 0 205.305 2.208 20 30 BEEDRO C#C[C@H](CCC)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001120596554 989767373 /nfs/dbraw/zinc/76/73/73/989767373.db2.gz VVPRZBHVJHFCOO-CABCVRRESA-N 1 0 249.329 2.121 20 30 BEEDRO C#C[C@@H](CCC)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC001120596556 989768378 /nfs/dbraw/zinc/76/83/78/989768378.db2.gz VVPRZBHVJHFCOO-GJZGRUSLSA-N 1 0 249.329 2.121 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001120605767 989779490 /nfs/dbraw/zinc/77/94/90/989779490.db2.gz YKABAAATVKQUFZ-CHWSQXEVSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC12CC2 ZINC001522265843 989844022 /nfs/dbraw/zinc/84/40/22/989844022.db2.gz TYRZFXAWYQACHD-RYUDHWBXSA-N 1 0 236.359 2.119 20 30 BEEDRO CC(C)[NH2+]CC(=O)Nc1ccc(CCC#N)cc1 ZINC001522755918 989874277 /nfs/dbraw/zinc/87/42/77/989874277.db2.gz AMETZAFHZMHQHS-UHFFFAOYSA-N 1 0 245.326 2.079 20 30 BEEDRO CC[C@@H](CNc1cccnc1C#N)[NH+]1CCCC1 ZINC001120881400 989942994 /nfs/dbraw/zinc/94/29/94/989942994.db2.gz DATXIBLHHBSRPB-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO CC[C@H](CNc1cccnc1C#N)[NH+]1CCCC1 ZINC001120881399 989944485 /nfs/dbraw/zinc/94/44/85/989944485.db2.gz DATXIBLHHBSRPB-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C=CC(C)(C)CCCNc1cc[nH+]c(N)n1 ZINC001120954318 989987166 /nfs/dbraw/zinc/98/71/66/989987166.db2.gz WBZOVGQBAQYIHU-UHFFFAOYSA-N 1 0 220.320 2.463 20 30 BEEDRO CC[C@@H](F)C(=O)O[C@@H](C)C#CC[NH+](CC)CC ZINC001524978024 990022047 /nfs/dbraw/zinc/02/20/47/990022047.db2.gz JSLTUKPFMZCELY-NWDGAFQWSA-N 1 0 243.322 2.011 20 30 BEEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]1CC ZINC001121850549 990101003 /nfs/dbraw/zinc/10/10/03/990101003.db2.gz COPIMFGAVKBTSA-NWDGAFQWSA-N 1 0 224.348 2.071 20 30 BEEDRO CC[NH2+]Cc1cccc(NC(=O)[C@H](C)CC#N)c1 ZINC001121892083 990110169 /nfs/dbraw/zinc/11/01/69/990110169.db2.gz JPNJVJDLGLMUGY-LLVKDONJSA-N 1 0 245.326 2.284 20 30 BEEDRO CCCCCCCCC(=O)NOC[C@@H](C)[NH3+] ZINC001122099564 990237002 /nfs/dbraw/zinc/23/70/02/990237002.db2.gz LWMQZXMEEMHTLH-LLVKDONJSA-N 1 0 230.352 2.132 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)C[C@@H]([NH3+])CC(C)C)C1 ZINC001122165243 990273849 /nfs/dbraw/zinc/27/38/49/990273849.db2.gz YOFRVPUGWZRRAF-STQMWFEESA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC=CC[C@H]1C ZINC001122321850 990340958 /nfs/dbraw/zinc/34/09/58/990340958.db2.gz YNZXCXBXAICTLG-FRRDWIJNSA-N 1 0 236.359 2.141 20 30 BEEDRO CC(C)(C)C#CC(=O)Nc1ccccc1C[NH3+] ZINC001122346744 990352765 /nfs/dbraw/zinc/35/27/65/990352765.db2.gz YFPZYALYKSGUSA-UHFFFAOYSA-N 1 0 230.311 2.133 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)C1CCCC1 ZINC001122480709 990396000 /nfs/dbraw/zinc/39/60/00/990396000.db2.gz IHJNGYAKIIATMN-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO CC[C@H](C#N)OC(=O)c1ccc2c[nH+]cn2c1C ZINC001122722104 990437827 /nfs/dbraw/zinc/43/78/27/990437827.db2.gz UUEYITUCYAXFRK-LLVKDONJSA-N 1 0 243.266 2.102 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNC(=O)c1ccccc1 ZINC001122766134 990445298 /nfs/dbraw/zinc/44/52/98/990445298.db2.gz ZDMLLFPODRCUMX-CYBMUJFWSA-N 1 0 246.354 2.361 20 30 BEEDRO C=CCC[NH2+]CCNC(=O)CCC1CCCC1 ZINC001122866661 990454315 /nfs/dbraw/zinc/45/43/15/990454315.db2.gz ZOBYYSQWDPDWIA-UHFFFAOYSA-N 1 0 238.375 2.239 20 30 BEEDRO 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C=CCCC(=O)NCC[NH2+]CC(CC)CC ZINC001124640315 990800027 /nfs/dbraw/zinc/80/00/27/990800027.db2.gz CKHWOSOUJSWXNV-UHFFFAOYSA-N 1 0 226.364 2.095 20 30 BEEDRO C=CCCC(=O)NCC[NH2+]C[C@@H](C)CC(C)C ZINC001124640863 990800877 /nfs/dbraw/zinc/80/08/77/990800877.db2.gz RJAZLCUKCJVUFR-ZDUSSCGKSA-N 1 0 240.391 2.341 20 30 BEEDRO C=CC[NH2+]C[C@@H]1CCN(C(=O)C(C)=C2CCC2)C1 ZINC001567124086 990800743 /nfs/dbraw/zinc/80/07/43/990800743.db2.gz ZNWFWRDCJZGNTD-ZDUSSCGKSA-N 1 0 248.370 2.111 20 30 BEEDRO C=C(C)CCC(=O)NCC[N@@H+](CC)CC(C)C ZINC001567333816 990803413 /nfs/dbraw/zinc/80/34/13/990803413.db2.gz JQHOFVOZTYIXID-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=C(C)C[NH2+]CCNC(=O)CCCC(C)(C)C ZINC001124782485 990806775 /nfs/dbraw/zinc/80/67/75/990806775.db2.gz MYHVFYAGWBPECD-UHFFFAOYSA-N 1 0 240.391 2.485 20 30 BEEDRO CC[NH+](CC)Cc1ccc(OC)cc1C#N ZINC001137698479 990841537 /nfs/dbraw/zinc/84/15/37/990841537.db2.gz YXGYAMOPTCMFCW-UHFFFAOYSA-N 1 0 218.300 2.409 20 30 BEEDRO C#CC[C@H]1CCCN(Cc2nnc(C(C)C)o2)C1 ZINC000829784755 990867456 /nfs/dbraw/zinc/86/74/56/990867456.db2.gz MYXYKBVULTXECC-LBPRGKRZSA-N 1 0 247.342 2.428 20 30 BEEDRO C=CCCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001138282727 990905525 /nfs/dbraw/zinc/90/55/25/990905525.db2.gz DNNQYSAEJNDHJN-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[C@](C)(C#N)C(=O)Nc1ccc2c[nH+]cn2c1 ZINC001558590594 990977239 /nfs/dbraw/zinc/97/72/39/990977239.db2.gz SIWWJKDWKURZAB-CYBMUJFWSA-N 1 0 242.282 2.213 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CCC[C@H]2CO)c1O ZINC001138625454 990982951 /nfs/dbraw/zinc/98/29/51/990982951.db2.gz LOVKAXZEPSVDTJ-AWEZNQCLSA-N 1 0 247.338 2.077 20 30 BEEDRO C=CCc1cccc(C[N@H+]2CCOC[C@H]2C)c1O ZINC001138624293 990985736 /nfs/dbraw/zinc/98/57/36/990985736.db2.gz BNXORCVKOCWZTH-GFCCVEGCSA-N 1 0 247.338 2.341 20 30 BEEDRO C=CCc1cccc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC001138627579 990986400 /nfs/dbraw/zinc/98/64/00/990986400.db2.gz AVBOZNDVRXFXJG-CQSZACIVSA-N 1 0 247.338 2.341 20 30 BEEDRO 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CC[N@H+](CCC#N)[C@H](C)CCSC ZINC001258219129 991086499 /nfs/dbraw/zinc/08/64/99/991086499.db2.gz CWARZLYPKQIXQG-SNVBAGLBSA-N 1 0 200.351 2.364 20 30 BEEDRO C=CCOc1ccccc1C[N@H+]1C[C@H](O)C[C@H]1C ZINC001139029003 991128267 /nfs/dbraw/zinc/12/82/67/991128267.db2.gz MZMHJPJBDWNYMU-TZMCWYRMSA-N 1 0 247.338 2.207 20 30 BEEDRO CC[N@H+](C[C@@H](C)C#N)CC12CC(C)(C1)OC2 ZINC001559508014 991131863 /nfs/dbraw/zinc/13/18/63/991131863.db2.gz FRRVHJPPMNTGBP-HIFPTAJRSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CC1CC[NH+]([C@@H](C(=O)OC)[C@H](C)CC)CC1 ZINC001559542281 991142070 /nfs/dbraw/zinc/14/20/70/991142070.db2.gz QBBNRQBYADNDAM-DGCLKSJQSA-N 1 0 239.359 2.472 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)CCSC)C1 ZINC001258221904 991153044 /nfs/dbraw/zinc/15/30/44/991153044.db2.gz IUEZCNBXPGWVHE-NWDGAFQWSA-N 1 0 211.374 2.473 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(O)cc2OC)CC1 ZINC001139143359 991162080 /nfs/dbraw/zinc/16/20/80/991162080.db2.gz OZNNNUJVINLWFA-UHFFFAOYSA-N 1 0 245.322 2.246 20 30 BEEDRO C#CCN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)CC1CC1 ZINC001559658999 991205177 /nfs/dbraw/zinc/20/51/77/991205177.db2.gz XPSFKBVTHQHIJA-HUUCEWRRSA-N 1 0 248.414 2.310 20 30 BEEDRO C#CCN(CC[N@H+]1C[C@H](C)C[C@H](C)C1)CC1CC1 ZINC001559658997 991205453 /nfs/dbraw/zinc/20/54/53/991205453.db2.gz XPSFKBVTHQHIJA-GASCZTMLSA-N 1 0 248.414 2.310 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)CC1 ZINC001308932124 991223653 /nfs/dbraw/zinc/22/36/53/991223653.db2.gz VVNKPYYNEAFOJH-HZSPNIEDSA-N 1 0 221.344 2.357 20 30 BEEDRO CC1=CC[N@H+](C[C@H](O)c2cccc(C#N)c2)CC1 ZINC001559718208 991225554 /nfs/dbraw/zinc/22/55/54/991225554.db2.gz CPAFLDBTHNZUBV-HNNXBMFYSA-N 1 0 242.322 2.244 20 30 BEEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001559734566 991233556 /nfs/dbraw/zinc/23/35/56/991233556.db2.gz RCDNDZDVJPOKRY-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CC)[C@@H]1C ZINC001559769803 991247566 /nfs/dbraw/zinc/24/75/66/991247566.db2.gz SPLJAQUQXLBVIO-XQQFMLRXSA-N 1 0 211.349 2.434 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCN1C[C@H](C)C[C@H](C)C1 ZINC001559851552 991282363 /nfs/dbraw/zinc/28/23/63/991282363.db2.gz NWVQMVRAWSYRII-ZNMIVQPWSA-N 1 0 236.403 2.356 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@H](C)CCC(=O)OC)c1 ZINC001258354361 991288701 /nfs/dbraw/zinc/28/87/01/991288701.db2.gz YRHXXFJQJPIOGB-GFCCVEGCSA-N 1 0 245.322 2.099 20 30 BEEDRO CC[C@H](CC#N)[NH2+]C[Si](C)(C)c1ccccc1 ZINC001559892884 991305147 /nfs/dbraw/zinc/30/51/47/991305147.db2.gz CCRJEIAYMCJVMU-CYBMUJFWSA-N 1 0 246.430 2.423 20 30 BEEDRO CC#CCN1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001559905760 991320378 /nfs/dbraw/zinc/32/03/78/991320378.db2.gz IGMYKPNNKWSKTR-OAHLLOKOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CC[N@@H+](C)Cc1cc(=O)n(C)c2ccccc12 ZINC001139759173 991357211 /nfs/dbraw/zinc/35/72/11/991357211.db2.gz SXEMXQCWSOJHNW-UHFFFAOYSA-N 1 0 242.322 2.156 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCC[C@@H](CC#N)C2)cn1 ZINC001139770173 991363186 /nfs/dbraw/zinc/36/31/86/991363186.db2.gz GCLPYIVHLHFEHI-ZDUSSCGKSA-N 1 0 244.342 2.195 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCCOC(C)(C)C2)cn1 ZINC001139770209 991364659 /nfs/dbraw/zinc/36/46/59/991364659.db2.gz HIJBUBSLVWYPEN-UHFFFAOYSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCn1cc(C[N@H+]2CCC[C@H](OCC)C2)cn1 ZINC001139770472 991364710 /nfs/dbraw/zinc/36/47/10/991364710.db2.gz OOGYCUPGLQOTFK-AWEZNQCLSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CCC[C@H](C#N)CC2)cn1 ZINC001139772402 991364856 /nfs/dbraw/zinc/36/48/56/991364856.db2.gz IFYBZRDMKZSBJH-ZDUSSCGKSA-N 1 0 244.342 2.195 20 30 BEEDRO C=CCn1cc(C[N@@H+]2CC3CCC2CC3)cn1 ZINC001139772755 991365253 /nfs/dbraw/zinc/36/52/53/991365253.db2.gz QFWZHIFDQGUKMO-UHFFFAOYSA-N 1 0 231.343 2.444 20 30 BEEDRO C=CCn1cc(C[N@H+]2CC[C@@H](OCCC)C2)cn1 ZINC001139770636 991365747 /nfs/dbraw/zinc/36/57/47/991365747.db2.gz UVDXAOIMDIVQQD-CQSZACIVSA-N 1 0 249.358 2.070 20 30 BEEDRO Fc1cc(C[NH+]2CCC(S)CC2)ccn1 ZINC001139834492 991389585 /nfs/dbraw/zinc/38/95/85/991389585.db2.gz LPZWNDYUDLSORV-UHFFFAOYSA-N 1 0 226.320 2.115 20 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248.370 2.109 20 30 BEEDRO C=CCCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001316990448 991438433 /nfs/dbraw/zinc/43/84/33/991438433.db2.gz HTKYGGOWYSMGKS-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)CC)C1 ZINC001317070626 991448047 /nfs/dbraw/zinc/44/80/47/991448047.db2.gz PAJBUIHASYVEMB-JHJVBQTASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[C@@H](C)CC)C1 ZINC001317091126 991451263 /nfs/dbraw/zinc/45/12/63/991451263.db2.gz YKSFAJWXFJSZGD-CYDGBPFRSA-N 1 0 238.375 2.091 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCC)C1 ZINC001317099536 991451794 /nfs/dbraw/zinc/45/17/94/991451794.db2.gz GYIWDBPRUOQQNG-RWMBFGLXSA-N 1 0 238.375 2.378 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC001317099546 991452279 /nfs/dbraw/zinc/45/22/79/991452279.db2.gz HLQMKSRBEHYZAO-TXEJJXNPSA-N 1 0 248.326 2.096 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC001560321192 991452839 /nfs/dbraw/zinc/45/28/39/991452839.db2.gz FIWYZZUQYAGYTH-GFCCVEGCSA-N 1 0 222.332 2.372 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H](C)CC)C1 ZINC001317123741 991454877 /nfs/dbraw/zinc/45/48/77/991454877.db2.gz TWTBNPBGEIGCKL-RWMBFGLXSA-N 1 0 238.375 2.236 20 30 BEEDRO CCOC(=O)CC[C@H](C)[NH+]1CCC(S)CC1 ZINC001258498020 991463990 /nfs/dbraw/zinc/46/39/90/991463990.db2.gz GRZBSJMYYLGWBN-JTQLQIEISA-N 1 0 245.388 2.112 20 30 BEEDRO C=CC[NH2+][C@@H](C)CNC(=O)CC1CCCCC1 ZINC001317226102 991464604 /nfs/dbraw/zinc/46/46/04/991464604.db2.gz VSCUPNPDCHFXMV-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)CNC(=O)C(CC)CC ZINC001317226670 991465515 /nfs/dbraw/zinc/46/55/15/991465515.db2.gz GSNYZDUQMFFXDD-LLVKDONJSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CCCC ZINC001317228665 991468512 /nfs/dbraw/zinc/46/85/12/991468512.db2.gz DKVRKXVYQZEMGT-JTQLQIEISA-N 1 0 232.755 2.023 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@](C)(C=C)CC ZINC001317263352 991481623 /nfs/dbraw/zinc/48/16/23/991481623.db2.gz BYBMURBTCGYSPL-GXTWGEPZSA-N 1 0 238.375 2.259 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2cc[nH]c2)s1 ZINC001560509870 991490241 /nfs/dbraw/zinc/49/02/41/991490241.db2.gz VBUGDFDBEUWGBR-UHFFFAOYSA-N 1 0 217.297 2.238 20 30 BEEDRO C#Cc1cccc(C[NH2+]Cc2ccns2)c1 ZINC001560503434 991491181 /nfs/dbraw/zinc/49/11/81/991491181.db2.gz MYZCVHSCEQKBAH-UHFFFAOYSA-N 1 0 228.320 2.414 20 30 BEEDRO C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C1CCC1 ZINC001317385326 991494546 /nfs/dbraw/zinc/49/45/46/991494546.db2.gz UPZBWCKINQEEED-SNVBAGLBSA-N 1 0 244.766 2.023 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)CCC(C)C ZINC001317385134 991495660 /nfs/dbraw/zinc/49/56/60/991495660.db2.gz DSVGLGHNVDIJLH-GFCCVEGCSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)CCC1(C)CC1 ZINC001317411176 991501141 /nfs/dbraw/zinc/50/11/41/991501141.db2.gz QSIKGTBBUTYKIY-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[C@@H](C)[NH2+]CC(C)C ZINC001317402793 991501722 /nfs/dbraw/zinc/50/17/22/991501722.db2.gz LDMHOQWDYGTGJS-GFCCVEGCSA-N 1 0 240.391 2.339 20 30 BEEDRO CC(C)C[C@H]([NH2+][C@H]1CCC(C)(C)C1)C(=O)NO ZINC001258602886 991512162 /nfs/dbraw/zinc/51/21/62/991512162.db2.gz QYUMDAHRBAJADR-QWRGUYRKSA-N 1 0 242.363 2.075 20 30 BEEDRO C=CC[N@@H+](C)Cc1[nH]nc2ccc(OC)cc21 ZINC001140069043 991518550 /nfs/dbraw/zinc/51/85/50/991518550.db2.gz HJHTYOHKOWUVPH-UHFFFAOYSA-N 1 0 231.299 2.189 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)[C@H](C)C(C)(C)C ZINC001317450733 991521118 /nfs/dbraw/zinc/52/11/18/991521118.db2.gz HMDCHDFUGQITBU-LBPRGKRZSA-N 1 0 240.391 2.293 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@](C)(F)CCCC ZINC001317452073 991522617 /nfs/dbraw/zinc/52/26/17/991522617.db2.gz VDLACJHLDZUOSI-ZDUSSCGKSA-N 1 0 244.354 2.139 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2F)C1 ZINC001140128734 991528398 /nfs/dbraw/zinc/52/83/98/991528398.db2.gz AVLFFKLXGGZEDJ-LLVKDONJSA-N 1 0 233.286 2.377 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)CC[C@H](C)CC ZINC001317466543 991534241 /nfs/dbraw/zinc/53/42/41/991534241.db2.gz WKIWMEYCEDINKJ-GFCCVEGCSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CCC[N@H+](CC)CCNC(=O)[C@H](C)C(C)C ZINC001317486728 991537538 /nfs/dbraw/zinc/53/75/38/991537538.db2.gz GWXXTORTFDFRLP-CYBMUJFWSA-N 1 0 240.391 2.293 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)Cc1cccnc1 ZINC001258619180 991544629 /nfs/dbraw/zinc/54/46/29/991544629.db2.gz NWLBHVQNGYDSOS-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO C=CC[NH2+]CCN(C)C(=O)C1CCCCCC1 ZINC001317569948 991554465 /nfs/dbraw/zinc/55/44/65/991554465.db2.gz IDPKTOKKVRTALL-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C)CC ZINC001317571745 991555093 /nfs/dbraw/zinc/55/50/93/991555093.db2.gz VSPKFMDEUSMRFH-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](C#N)C2)c1O ZINC001140182293 991555924 /nfs/dbraw/zinc/55/59/24/991555924.db2.gz NPRQHQWAANZYPZ-GFCCVEGCSA-N 1 0 230.311 2.355 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C1(C)CC1 ZINC001317589189 991563445 /nfs/dbraw/zinc/56/34/45/991563445.db2.gz BRIQARWSIFKWCD-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[NH2+]CCN(C)C(=O)CC(C)=C(C)C ZINC001317618633 991565861 /nfs/dbraw/zinc/56/58/61/991565861.db2.gz NCRNBCPPRWCDJL-UHFFFAOYSA-N 1 0 238.375 2.357 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)Cc2cccnc2)C1 ZINC001258629503 991570708 /nfs/dbraw/zinc/57/07/08/991570708.db2.gz BUQDQKBUILJWIQ-KBPBESRZSA-N 1 0 228.339 2.358 20 30 BEEDRO C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC)C1 ZINC001317827574 991587328 /nfs/dbraw/zinc/58/73/28/991587328.db2.gz WWGCILSNUCJEIW-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1C[C@@H]2CCCC[C@H]12)[C@H]1CCCO1 ZINC001560771716 991591120 /nfs/dbraw/zinc/59/11/20/991591120.db2.gz DMZSRGZODCGPEH-BTFPBAQTSA-N 1 0 233.355 2.336 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001560838350 991618872 /nfs/dbraw/zinc/61/88/72/991618872.db2.gz QJSZQYVFPDQPBO-YYHQMBLXSA-N 1 0 207.317 2.108 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C1CN(C(C)(C)C)C1 ZINC001258724347 991619177 /nfs/dbraw/zinc/61/91/77/991619177.db2.gz URXWAGXAXHYRIK-NSHDSACASA-N 1 0 210.365 2.413 20 30 BEEDRO C#CCN1CC[NH+]([C@@H]2C[C@H](C)CC(C)(C)C2)CC1 ZINC001258700179 991636130 /nfs/dbraw/zinc/63/61/30/991636130.db2.gz JUFLYKFUFUNERX-LSDHHAIUSA-N 1 0 248.414 2.452 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)CCCC)C1 ZINC001318235627 991637404 /nfs/dbraw/zinc/63/74/04/991637404.db2.gz MCYKNGZXFHCVPY-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO CCCCN[NH+]=C1CCCc2nc(N)ccc21 ZINC000834940867 991638118 /nfs/dbraw/zinc/63/81/18/991638118.db2.gz RTRLHJDPSASUAS-UHFFFAOYSA-N 1 0 232.331 2.094 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ncc(F)cn1 ZINC001258716850 991642843 /nfs/dbraw/zinc/64/28/43/991642843.db2.gz GOEHHNFWMRTYPI-VIFPVBQESA-N 1 0 209.268 2.060 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H]1CC[N@@H+](C(C)C)C1 ZINC001318272960 991643124 /nfs/dbraw/zinc/64/31/24/991643124.db2.gz IAILMGMQEXZKLE-OLZOCXBDSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[C@H](C)n1c(C)cnc1CC[NH3+] ZINC001258717658 991645047 /nfs/dbraw/zinc/64/50/47/991645047.db2.gz RODNRJHNGQCLCN-JTQLQIEISA-N 1 0 207.321 2.220 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1(F)CCOCC1 ZINC001258718092 991645304 /nfs/dbraw/zinc/64/53/04/991645304.db2.gz GCFNOLRNAVIYTK-LLVKDONJSA-N 1 0 215.312 2.449 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1nccc(C)n1 ZINC001258717225 991645479 /nfs/dbraw/zinc/64/54/79/991645479.db2.gz NOUJUAHCSOUVFE-JTQLQIEISA-N 1 0 205.305 2.229 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccc(C)c(OC)n2)C1 ZINC001560906720 991645662 /nfs/dbraw/zinc/64/56/62/991645662.db2.gz RBTPWDCVYGQZIO-ZDUSSCGKSA-N 1 0 244.338 2.244 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cc(C)n(C)n1 ZINC001258717993 991646548 /nfs/dbraw/zinc/64/65/48/991646548.db2.gz BRNPEPLNDRXQMH-SNVBAGLBSA-N 1 0 207.321 2.173 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC001258717307 991646719 /nfs/dbraw/zinc/64/67/19/991646719.db2.gz OQDNXUUXJITROL-JSGCOSHPSA-N 1 0 246.354 2.027 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCC(OC)OC ZINC001258721576 991652343 /nfs/dbraw/zinc/65/23/43/991652343.db2.gz ZTKREVXOHXFWBJ-NSHDSACASA-N 1 0 215.337 2.330 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[N@H+](C1)[C@H]2C ZINC001258721949 991655404 /nfs/dbraw/zinc/65/54/04/991655404.db2.gz JHHKQXCKJKOPHK-FQUUOJAGSA-N 1 0 222.376 2.413 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC)C1 ZINC001318377061 991655682 /nfs/dbraw/zinc/65/56/82/991655682.db2.gz ZVMGJUOKOLIFBU-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)c1ccccn1 ZINC001258722290 991656196 /nfs/dbraw/zinc/65/61/96/991656196.db2.gz NIMJPHCZVGCADZ-AAEUAGOBSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CC[C@H](NC(C)=O)CC1 ZINC001258724469 991659268 /nfs/dbraw/zinc/65/92/68/991659268.db2.gz XDTUIZKPDMKCJF-UBHSHLNASA-N 1 0 238.375 2.378 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](F)C(C)(C)O ZINC001258724328 991659890 /nfs/dbraw/zinc/65/98/90/991659890.db2.gz UJTUFDJCXMSHTK-NXEZZACHSA-N 1 0 203.301 2.040 20 30 BEEDRO C=CCC[C@@H](C)n1c(C[NH3+])ccc1C(=O)OC ZINC001258724377 991660167 /nfs/dbraw/zinc/66/01/67/991660167.db2.gz VLZSKYKDZFJPQL-SNVBAGLBSA-N 1 0 236.315 2.261 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CCC2(CC(=O)CO2)CC1 ZINC001258724968 991662308 /nfs/dbraw/zinc/66/23/08/991662308.db2.gz HBHRQTDHFGLHPZ-LBPRGKRZSA-N 1 0 237.343 2.165 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC001258724614 991662539 /nfs/dbraw/zinc/66/25/39/991662539.db2.gz ATVODSAHSSIWHI-QWRGUYRKSA-N 1 0 233.302 2.291 20 30 BEEDRO C=CCC[C@H](C)[N@H+]1CCCC[C@H]1C(=O)OC ZINC001258725439 991663672 /nfs/dbraw/zinc/66/36/72/991663672.db2.gz LDHMEZZEUXNBIK-RYUDHWBXSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001258724825 991664373 /nfs/dbraw/zinc/66/43/73/991664373.db2.gz FESDSVHJUZDGQQ-UPJWGTAASA-N 1 0 209.333 2.309 20 30 BEEDRO C[C@H]1C[C@@H](CF)N(Cc2ccc(C#N)nc2)C1 ZINC001140540000 991665066 /nfs/dbraw/zinc/66/50/66/991665066.db2.gz GRUGDTWWESUKHP-GWCFXTLKSA-N 1 0 233.290 2.133 20 30 BEEDRO N#Cc1ccc(CN2CC3(C2)CCCC3)cn1 ZINC001140540398 991665455 /nfs/dbraw/zinc/66/54/55/991665455.db2.gz UQQAULDPJWOEKB-UHFFFAOYSA-N 1 0 227.311 2.329 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001258731224 991670358 /nfs/dbraw/zinc/67/03/58/991670358.db2.gz BOMXXNCVZRMDIX-AVGNSLFASA-N 1 0 209.333 2.452 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCC[C@H]1CN(C)C ZINC001258731689 991671459 /nfs/dbraw/zinc/67/14/59/991671459.db2.gz CBKDUYYXAJCNPZ-OLZOCXBDSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCC[C@H](C)N1CC[NH+]2CCC1CC2 ZINC001258732783 991677620 /nfs/dbraw/zinc/67/76/20/991677620.db2.gz PYZPGOLLXVKVOX-LBPRGKRZSA-N 1 0 208.349 2.121 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CC(=O)OC ZINC001258732078 991678042 /nfs/dbraw/zinc/67/80/42/991678042.db2.gz ISGKBRHPYXUXAC-NEPJUHHUSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCC[C@H](C)n1c2c(sc1=N)C[NH2+]CC2 ZINC001258734582 991679287 /nfs/dbraw/zinc/67/92/87/991679287.db2.gz FNOKUCYDMMQFSD-VIFPVBQESA-N 1 0 237.372 2.202 20 30 BEEDRO C=C1CC(C)(C(=O)NC[C@H](CC)[NH2+]CCC)C1 ZINC001318571362 991680192 /nfs/dbraw/zinc/68/01/92/991680192.db2.gz YKIKVYIVLQEHKK-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H](F)C(C)C ZINC001318561755 991681323 /nfs/dbraw/zinc/68/13/23/991681323.db2.gz JVZQBJZQJYORJC-RYUDHWBXSA-N 1 0 244.354 2.041 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CC[C@@H](Oc2ncccn2)C1 ZINC001258735721 991683358 /nfs/dbraw/zinc/68/33/58/991683358.db2.gz AFLARKPAPQKOIM-CHWSQXEVSA-N 1 0 247.342 2.284 20 30 BEEDRO C=CCC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)C2=O ZINC001258735702 991685213 /nfs/dbraw/zinc/68/52/13/991685213.db2.gz ZJWJCLHFBYBPBU-UTUOFQBUSA-N 1 0 207.317 2.252 20 30 BEEDRO C=CCC[C@H](C)[N@@H+]1CCC(=O)N2CCC[C@@H]2C1 ZINC001258736678 991689548 /nfs/dbraw/zinc/68/95/48/991689548.db2.gz YKLCCZJKPAFQLJ-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CC[N@H+](C)C/C=C\c1ccc(F)cc1 ZINC001561032183 991695423 /nfs/dbraw/zinc/69/54/23/991695423.db2.gz SUIBATAGQFBAEG-PLNGDYQASA-N 1 0 203.260 2.404 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCC(F)F)C1 ZINC001561047389 991700329 /nfs/dbraw/zinc/70/03/29/991700329.db2.gz NTEAZJWKQJHHEE-DTWKUNHWSA-N 1 0 202.248 2.314 20 30 BEEDRO C=CCC1(O)C[NH+](C[C@H]2CCCC[C@H]2C)C1 ZINC001561048925 991706632 /nfs/dbraw/zinc/70/66/32/991706632.db2.gz ICCRFPMLHFNBOS-CHWSQXEVSA-N 1 0 223.360 2.436 20 30 BEEDRO CCC[NH+]1CCC(N2CCCC[C@@H]2C#N)CC1 ZINC001258775478 991736625 /nfs/dbraw/zinc/73/66/25/991736625.db2.gz PZBNYTMJMAKLNV-CQSZACIVSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CCCCC(=O)N1CCC[C@@H]1C[NH2+]CCC ZINC001319101485 991788372 /nfs/dbraw/zinc/78/83/72/991788372.db2.gz ANWJFPJAMQHPHM-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C=C2CCC2)C1 ZINC001565861585 991814987 /nfs/dbraw/zinc/81/49/87/991814987.db2.gz FBWYMTSRIAZKDD-HDJSIYSDSA-N 1 0 248.370 2.157 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1C[C@H](CNC(C)=O)C1 ZINC001565857281 991815636 /nfs/dbraw/zinc/81/56/36/991815636.db2.gz BERMMAKNXHJHKR-HDJSIYSDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC ZINC001566120341 991824312 /nfs/dbraw/zinc/82/43/12/991824312.db2.gz XTYHSRQKVSBAOY-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC(C)C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)C(=O)NO ZINC001258817595 991832077 /nfs/dbraw/zinc/83/20/77/991832077.db2.gz XGDGEEZRLOAQJH-UTUOFQBUSA-N 1 0 242.363 2.075 20 30 BEEDRO CC(C)C(C#N)=CNNc1ccc(F)c[nH+]1 ZINC001319382268 991853814 /nfs/dbraw/zinc/85/38/14/991853814.db2.gz XDHKWZXYWGKTDS-VIFPVBQESA-N 1 0 220.251 2.414 20 30 BEEDRO C=CCC[N@@H+](C)CCCNC(=O)C(C)(C)CC ZINC001566485816 991858120 /nfs/dbraw/zinc/85/81/20/991858120.db2.gz CMPVLBUTRTURJK-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C#CC[N@@H+](CCC(=O)OCCCC)CC1CC1 ZINC001319446238 991870805 /nfs/dbraw/zinc/87/08/05/991870805.db2.gz MGIOUSKOHSYMPA-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO COc1ccccc1C[C@@H](C)[NH2+]CCS ZINC001258879355 991887341 /nfs/dbraw/zinc/88/73/41/991887341.db2.gz FKCQEWRCYBASQJ-SNVBAGLBSA-N 1 0 225.357 2.146 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C)C1 ZINC001566858557 991887950 /nfs/dbraw/zinc/88/79/50/991887950.db2.gz DMKHVUICIXVGFI-TXEJJXNPSA-N 1 0 238.375 2.236 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1ccccc1OC ZINC001258895790 991890958 /nfs/dbraw/zinc/89/09/58/991890958.db2.gz WCMFIFNYLDTXDV-CQSZACIVSA-N 1 0 241.334 2.195 20 30 BEEDRO CC[NH+](CC)CCC[C@@H](C)N1CCC[C@H]1C#N ZINC001258907617 991896162 /nfs/dbraw/zinc/89/61/62/991896162.db2.gz LKPSLKSPOOMMEI-KGLIPLIRSA-N 1 0 237.391 2.485 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H](C)[NH2+]CC1CC1 ZINC001567018517 991910019 /nfs/dbraw/zinc/91/00/19/991910019.db2.gz BWEPNQXPLOXNNZ-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)[C@]1(C)CC=CCC1 ZINC001567019440 991911690 /nfs/dbraw/zinc/91/16/90/991911690.db2.gz RTKWEEDJHQNBST-TZMCWYRMSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+]C[C@H]1CCN(C(=O)C(CC)CC)C1 ZINC001567115193 991948618 /nfs/dbraw/zinc/94/86/18/991948618.db2.gz RXMUZNAVBLKGJF-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](C)CCC ZINC001567208342 991957821 /nfs/dbraw/zinc/95/78/21/991957821.db2.gz LYBDKNBNVAMSAV-RYUDHWBXSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CC[NH2+][C@H](C)CCNC(=O)C1(C)CC=CC1 ZINC001567229076 991966806 /nfs/dbraw/zinc/96/68/06/991966806.db2.gz LWNCNHGVLHLDLY-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001319777670 991980935 /nfs/dbraw/zinc/98/09/35/991980935.db2.gz FVLAYQKCPXRWFG-OLZOCXBDSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C(C)C ZINC001567271393 991982114 /nfs/dbraw/zinc/98/21/14/991982114.db2.gz XCBOOPGFRCZRLW-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)/C(C)=C\C ZINC001567360447 992021871 /nfs/dbraw/zinc/02/18/71/992021871.db2.gz AFHOYYXMSPRQDD-QWGHSUKYSA-N 1 0 236.359 2.109 20 30 BEEDRO C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)/C(C)=C\C ZINC001567360448 992024974 /nfs/dbraw/zinc/02/49/74/992024974.db2.gz AFHOYYXMSPRQDD-XLVZXTRVSA-N 1 0 236.359 2.109 20 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248.370 2.204 20 30 BEEDRO C=CCO[C@@H]1CCN(Cc2nc(C)cs2)C1 ZINC001320040013 992081729 /nfs/dbraw/zinc/08/17/29/992081729.db2.gz UNMSJNQEJCPTHB-LLVKDONJSA-N 1 0 238.356 2.228 20 30 BEEDRO C[NH+](C)[C@@H]1CCCC[C@@H]1NCc1ccc(C#N)o1 ZINC001320069607 992094941 /nfs/dbraw/zinc/09/49/41/992094941.db2.gz AKBVOKYLCNZLQU-UONOGXRCSA-N 1 0 247.342 2.114 20 30 BEEDRO C#CCSCC[NH2+]Cc1cccc2c[nH]nc21 ZINC001320081271 992097625 /nfs/dbraw/zinc/09/76/25/992097625.db2.gz LOLONHMKOYLCKK-UHFFFAOYSA-N 1 0 245.351 2.019 20 30 BEEDRO C=CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC001320086692 992100680 /nfs/dbraw/zinc/10/06/80/992100680.db2.gz OXEWIYDCIKBJAR-OAHLLOKOSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCO[C@H]1CC[N@H+](Cc2cc(C#N)cs2)C1 ZINC001320091566 992100774 /nfs/dbraw/zinc/10/07/74/992100774.db2.gz IMRZAIVLYXLAGH-LBPRGKRZSA-N 1 0 248.351 2.397 20 30 BEEDRO C=CCCC[NH+]1CC(CNC(=O)C2=CCCC2)C1 ZINC001567826850 992106420 /nfs/dbraw/zinc/10/64/20/992106420.db2.gz IXXIXGQAXZPVEW-UHFFFAOYSA-N 1 0 248.370 2.111 20 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BEEDRO C=CC[NH2+][C@H](CNC(=O)/C(C)=C\CC)C(C)C ZINC001568443494 992166990 /nfs/dbraw/zinc/16/69/90/992166990.db2.gz CSTGAEFSBPETRD-LLBKUYECSA-N 1 0 238.375 2.259 20 30 BEEDRO C=CCCC(=O)NC[C@H]([NH2+]CC(C)C)C(C)C ZINC001568445876 992169059 /nfs/dbraw/zinc/16/90/59/992169059.db2.gz NWPRTGIXLJGFHN-ZDUSSCGKSA-N 1 0 240.391 2.339 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)CC[N@H+](C)C(C)C ZINC001568493118 992177580 /nfs/dbraw/zinc/17/75/80/992177580.db2.gz JAFBUMIKOABLBY-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO C=CC[NH2+]CC[C@@H](C)NC(=O)/C(C)=C/CC ZINC001320360530 992182407 /nfs/dbraw/zinc/18/24/07/992182407.db2.gz DLNBZSAYWYVPKZ-YTRUQHMWSA-N 1 0 224.348 2.013 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N[C@H](C)CC[NH2+]CCC ZINC001568674932 992200471 /nfs/dbraw/zinc/20/04/71/992200471.db2.gz XVZSADHBLSTWTF-TZMCWYRMSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CC[N@H+](Cc1c(C)n[nH]c1C)C(C)C ZINC001320480551 992219485 /nfs/dbraw/zinc/21/94/85/992219485.db2.gz QACHPOYYVKDJQG-UHFFFAOYSA-N 1 0 207.321 2.423 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC001261262431 992233541 /nfs/dbraw/zinc/23/35/41/992233541.db2.gz XRHFAQJZRZTGHK-ZDUSSCGKSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC12CC2 ZINC001568923974 992241462 /nfs/dbraw/zinc/24/14/62/992241462.db2.gz ASJOKSNNIJCREG-ITDFMYJTSA-N 1 0 248.370 2.015 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)CCC ZINC001568977967 992251252 /nfs/dbraw/zinc/25/12/52/992251252.db2.gz TZCARKPHDPLIBA-NWDGAFQWSA-N 1 0 226.364 2.236 20 30 BEEDRO C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)C(CC)CC ZINC001568982213 992255176 /nfs/dbraw/zinc/25/51/76/992255176.db2.gz OYNYCYZXQWARGQ-SNVBAGLBSA-N 1 0 246.782 2.269 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)/C(C)=C/CC ZINC001569047514 992285102 /nfs/dbraw/zinc/28/51/02/992285102.db2.gz NDPRFBXXFJPSPN-SRXBQZRASA-N 1 0 238.375 2.403 20 30 BEEDRO C=CCCC[NH2+]C[C@H](C)NC(=O)C=C1CCC1 ZINC001569051336 992288562 /nfs/dbraw/zinc/28/85/62/992288562.db2.gz FUQYLFBAJUVGQK-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](CCc2cccc(C)n2)C1 ZINC001261456644 992312446 /nfs/dbraw/zinc/31/24/46/992312446.db2.gz GQIQPUCOSCGTEE-HNNXBMFYSA-N 1 0 246.354 2.209 20 30 BEEDRO C=CC[NH2+]CCN(CC)C(=O)[C@@H](C)CCC ZINC001320694830 992319966 /nfs/dbraw/zinc/31/99/66/992319966.db2.gz ZPJVPSDCXFRQSF-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)CC[NH2+]CCN(CC)C(=O)c1cc[nH]c1 ZINC001320743518 992340123 /nfs/dbraw/zinc/34/01/23/992340123.db2.gz KNJCFJJKQUBNRI-UHFFFAOYSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCC[NH2+]CCCN(C)C(=O)CC(C)(C)C ZINC001569182428 992340448 /nfs/dbraw/zinc/34/04/48/992340448.db2.gz ATFUEZAINJWETQ-UHFFFAOYSA-N 1 0 240.391 2.437 20 30 BEEDRO C=CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(C)=O ZINC001569438543 992390599 /nfs/dbraw/zinc/39/05/99/992390599.db2.gz YAOLATVDWCCXMC-AGUYFDCRSA-N 1 0 236.359 2.084 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC1([NH2+]C(C)C)CC1 ZINC001569419420 992393222 /nfs/dbraw/zinc/39/32/22/992393222.db2.gz GHOBDCICTQCJST-UHFFFAOYSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CCC)C1 ZINC001569482155 992397045 /nfs/dbraw/zinc/39/70/45/992397045.db2.gz SRKXMEZAGNOIEV-LBPRGKRZSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(C)CCC(=O)N(C)C1C[NH+](CCCC)C1 ZINC001569492073 992399535 /nfs/dbraw/zinc/39/95/35/992399535.db2.gz KRFWAQPJWWEPPP-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@](C)(CO)C1 ZINC001320932625 992405744 /nfs/dbraw/zinc/40/57/44/992405744.db2.gz ITLFCXUYXXDXQD-CHWSQXEVSA-N 1 0 224.348 2.021 20 30 BEEDRO C=CC[NH2+]C[C@@H](NC(=O)CCC)C1CCCC1 ZINC001569599109 992410831 /nfs/dbraw/zinc/41/08/31/992410831.db2.gz SLQOWVPGDMCYDT-CYBMUJFWSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCOCC[N@@H+](C)C[C@H]1CCCC[C@@H]1C ZINC001261637700 992430346 /nfs/dbraw/zinc/43/03/46/992430346.db2.gz CQDGGAAHXRQTPS-UONOGXRCSA-N 1 0 223.360 2.394 20 30 BEEDRO C=CCO[C@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC001321069534 992444116 /nfs/dbraw/zinc/44/41/16/992444116.db2.gz HBKAEZXRCKGORB-AWEZNQCLSA-N 1 0 232.327 2.167 20 30 BEEDRO C#CC[N@H+](CC1CC1)CC1(OC)CCCC1 ZINC001321069443 992444548 /nfs/dbraw/zinc/44/45/48/992444548.db2.gz DCPVBVJEVDVYFU-UHFFFAOYSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCCCC(=O)N[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC001570440027 992467810 /nfs/dbraw/zinc/46/78/10/992467810.db2.gz HMQKQIGJERMXNW-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCC)[C@H](C)C1 ZINC001570430199 992469023 /nfs/dbraw/zinc/46/90/23/992469023.db2.gz AFEITUXTFAGDHI-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CCNC(=O)C(C)(C)CC ZINC001570466074 992473241 /nfs/dbraw/zinc/47/32/41/992473241.db2.gz CUHVQNYMAZWWHV-LBPRGKRZSA-N 1 0 240.391 2.483 20 30 BEEDRO C=CCCC(=O)NC1CC(C[NH2+]CCCC)C1 ZINC001570556410 992479744 /nfs/dbraw/zinc/47/97/44/992479744.db2.gz ABHWLLGXSMZCND-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC ZINC001570603895 992487830 /nfs/dbraw/zinc/48/78/30/992487830.db2.gz GOSNGJKKPWEFGV-WDEREUQCSA-N 1 0 226.364 2.091 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC/C=C\C[NH2+]CCC ZINC001321229956 992496714 /nfs/dbraw/zinc/49/67/14/992496714.db2.gz AYZXSDYXSHGLOD-CKXPSTMWSA-N 1 0 238.375 2.261 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)CNC(=O)CC(C)(F)F ZINC001570733469 992515037 /nfs/dbraw/zinc/51/50/37/992515037.db2.gz APAFWLBBLYQPOV-SNVBAGLBSA-N 1 0 248.317 2.044 20 30 BEEDRO C=CC[NH2+][C@H](CCN(C)C(=O)C(C)C)C(C)C ZINC001570772795 992521262 /nfs/dbraw/zinc/52/12/62/992521262.db2.gz MUIRFAJREQCUBI-CYBMUJFWSA-N 1 0 240.391 2.291 20 30 BEEDRO C=CCC[NH2+][C@H](C)CN(C)C(=O)/C(C)=C\CC ZINC001571379546 992546350 /nfs/dbraw/zinc/54/63/50/992546350.db2.gz ZAHNTIANJYCVFO-KIWPFMIBSA-N 1 0 238.375 2.355 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)CC(C)C)[C@@H]1C ZINC001571513251 992567697 /nfs/dbraw/zinc/56/76/97/992567697.db2.gz PTGWPFPDPNABSF-STQMWFEESA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCC[NH+]1CCC([C@H](C)NC(=O)CC)CC1 ZINC001571646338 992581872 /nfs/dbraw/zinc/58/18/72/992581872.db2.gz QSZHBLXSCQHUMD-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO CCc1cc(C#N)ccc1OC(=O)CC(C)(C)[NH3+] ZINC001573825808 992724357 /nfs/dbraw/zinc/72/43/57/992724357.db2.gz HTOMSBKNGDDVRK-UHFFFAOYSA-N 1 0 246.310 2.153 20 30 BEEDRO C=CC[C@H]1[N@@H+](C[C@H](O)CC#N)CCCC1(C)C ZINC001262276448 992831818 /nfs/dbraw/zinc/83/18/18/992831818.db2.gz FNOCUMBVBKNJDT-CHWSQXEVSA-N 1 0 236.359 2.328 20 30 BEEDRO [NH3+]C1CCN(CC#Cc2cccc(Cl)c2)CC1 ZINC001574270322 992835681 /nfs/dbraw/zinc/83/56/81/992835681.db2.gz DMMRYOBEDHJWIG-UHFFFAOYSA-N 1 0 248.757 2.115 20 30 BEEDRO C=CC[C@H]1CC[N@@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC001262335093 992839714 /nfs/dbraw/zinc/83/97/14/992839714.db2.gz QRYJRWKORVHISU-LBPRGKRZSA-N 1 0 245.326 2.210 20 30 BEEDRO C=C(Br)CNCc1ccc(OC)o1 ZINC001262360459 992858036 /nfs/dbraw/zinc/85/80/36/992858036.db2.gz HGTGRWIMYPZWGP-UHFFFAOYSA-N 1 0 246.104 2.286 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1nnc(C2CC2)s1 ZINC001262361631 992858478 /nfs/dbraw/zinc/85/84/78/992858478.db2.gz SKIAHIZFTZGPGJ-MRVPVSSYSA-N 1 0 223.345 2.470 20 30 BEEDRO C#Cc1cccc(N(C)C(=O)[C@@H](C)[NH2+]CCC)c1 ZINC001574766050 992899360 /nfs/dbraw/zinc/89/93/60/992899360.db2.gz MEJMIUPBNTWFFR-GFCCVEGCSA-N 1 0 244.338 2.019 20 30 BEEDRO C#Cc1cccc(N(C)CC[C@@H]2CCC[NH2+]C2)c1 ZINC001574765178 992899735 /nfs/dbraw/zinc/89/97/35/992899735.db2.gz ANNOOELACVFVBG-HNNXBMFYSA-N 1 0 242.366 2.494 20 30 BEEDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC001262558556 992911293 /nfs/dbraw/zinc/91/12/93/992911293.db2.gz JAGFKUXSVPWTCP-RWMBFGLXSA-N 1 0 249.358 2.366 20 30 BEEDRO C=C[C@H](C)[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC001262566137 992921583 /nfs/dbraw/zinc/92/15/83/992921583.db2.gz HYHVLPUBDMHOID-GXFFZTMASA-N 1 0 239.746 2.408 20 30 BEEDRO C=C(C)CN1CCCC[C@@]12CCC[NH2+]C2 ZINC001574836321 992924912 /nfs/dbraw/zinc/92/49/12/992924912.db2.gz MJFSYWNQUFCYKT-ZDUSSCGKSA-N 1 0 208.349 2.171 20 30 BEEDRO C=C(C)CCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC001574835491 992925623 /nfs/dbraw/zinc/92/56/23/992925623.db2.gz ODMUNMOYUVWIKG-GFCCVEGCSA-N 1 0 224.348 2.073 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCC(C)C ZINC001574856817 992927623 /nfs/dbraw/zinc/92/76/23/992927623.db2.gz HJDPTNBTTMBASG-LLVKDONJSA-N 1 0 246.782 2.399 20 30 BEEDRO C=CC(C)(C)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC001574870780 992931937 /nfs/dbraw/zinc/93/19/37/992931937.db2.gz LYIBLKFTIYWOGS-GFCCVEGCSA-N 1 0 244.338 2.115 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001262575340 992932366 /nfs/dbraw/zinc/93/23/66/992932366.db2.gz OFYATYIYPSPCNF-IJLUTSLNSA-N 1 0 223.295 2.300 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC001574872338 992932682 /nfs/dbraw/zinc/93/26/82/992932682.db2.gz KEPQNPDJEJKQPD-JIMOISOXSA-N 1 0 245.326 2.197 20 30 BEEDRO C=C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CCC(C)C ZINC001574881644 992934109 /nfs/dbraw/zinc/93/41/09/992934109.db2.gz MNNXCRLWQBTFCT-STQMWFEESA-N 1 0 238.375 2.317 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC001574888714 992935204 /nfs/dbraw/zinc/93/52/04/992935204.db2.gz LOKOMWDVJWWZTA-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC(C)(C)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC001574888713 992935313 /nfs/dbraw/zinc/93/53/13/992935313.db2.gz LOKOMWDVJWWZTA-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCCCN[C@H](C[NH3+])C(F)(F)F ZINC001574907418 992939719 /nfs/dbraw/zinc/93/97/19/992939719.db2.gz LOIHOXXEDUHINH-SECBINFHSA-N 1 0 224.270 2.212 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCNC2)C1 ZINC001574900101 992941786 /nfs/dbraw/zinc/94/17/86/992941786.db2.gz PSWPZDVSDKIFCT-UPJWGTAASA-N 1 0 208.349 2.073 20 30 BEEDRO C=CCCCCN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC001574907435 992941914 /nfs/dbraw/zinc/94/19/14/992941914.db2.gz LXAZRKZTMCDWTQ-UONOGXRCSA-N 1 0 222.376 2.417 20 30 BEEDRO CC#CC[C@H]([NH3+])C(=O)Nc1cccc(Cl)c1 ZINC001574969876 992955705 /nfs/dbraw/zinc/95/57/05/992955705.db2.gz NMUVEYVRXWRFDI-NSHDSACASA-N 1 0 236.702 2.019 20 30 BEEDRO C=C(C)C[N@H+](C)CCCCCCc1c[nH]nn1 ZINC001575048793 992972727 /nfs/dbraw/zinc/97/27/27/992972727.db2.gz RIAGFKLGAODZMY-UHFFFAOYSA-N 1 0 236.363 2.416 20 30 BEEDRO CC(C)[C@H]1C[NH2+]CCN1Cc1ccc(C#N)s1 ZINC001575509772 993064132 /nfs/dbraw/zinc/06/41/32/993064132.db2.gz BZORFKONNUXAAK-CYBMUJFWSA-N 1 0 249.383 2.050 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(CCCC)CC1 ZINC001263246588 993184604 /nfs/dbraw/zinc/18/46/04/993184604.db2.gz VRAVCMYTMQOEEW-SNVBAGLBSA-N 1 0 244.766 2.295 20 30 BEEDRO C=CCCCN(CC)C(=O)C1([NH3+])CCCCC1 ZINC001263256491 993190764 /nfs/dbraw/zinc/19/07/64/993190764.db2.gz YHYKTGXXWYLBER-UHFFFAOYSA-N 1 0 238.375 2.463 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000381282810 993382011 /nfs/dbraw/zinc/38/20/11/993382011.db2.gz YRODCBCBADNLCZ-SYQHCUMBSA-N 1 0 223.360 2.175 20 30 BEEDRO C[C@@H](Cc1ccncc1)[NH2+]CCCCC#N ZINC000381443006 993395322 /nfs/dbraw/zinc/39/53/22/993395322.db2.gz AOKJWGLSLLDJSS-LBPRGKRZSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@@H]1CN([C@@H](C#N)c2ccccc2)CC[C@@H]1C[NH3+] ZINC001576798702 993423888 /nfs/dbraw/zinc/42/38/88/993423888.db2.gz WEASHLVMFRROEG-YUELXQCFSA-N 1 0 243.354 2.168 20 30 BEEDRO C[C@H]1C[C@@H](NCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000382033240 993437414 /nfs/dbraw/zinc/43/74/14/993437414.db2.gz FJEQORJUTKQDOC-DZGCQCFKSA-N 1 0 243.354 2.153 20 30 BEEDRO C=CCCC(=O)OC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001263664090 993456658 /nfs/dbraw/zinc/45/66/58/993456658.db2.gz TVPSWWSZSQYMCV-ZDUSSCGKSA-N 1 0 237.343 2.370 20 30 BEEDRO C#CC[N@@H+](CCC(=O)OC(C)(C)C)CC1CC1 ZINC000382486979 993462363 /nfs/dbraw/zinc/46/23/63/993462363.db2.gz WAHOJACSSSNQDS-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C=C(CC(C)C)C(=O)NCC[NH+]1CCCCC1 ZINC001263708227 993470781 /nfs/dbraw/zinc/47/07/81/993470781.db2.gz HJZHUAMLEITZHI-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(CC)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001263728620 993479536 /nfs/dbraw/zinc/47/95/36/993479536.db2.gz XGSLTCBZWRRWLM-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)c1cccc(OC)c1 ZINC000384233283 993560918 /nfs/dbraw/zinc/56/09/18/993560918.db2.gz YETHYVQLILDKDA-GJZGRUSLSA-N 1 0 247.338 2.120 20 30 BEEDRO C#CCCCN1CCC([NH+](CC)CC)CC1 ZINC000384274742 993564646 /nfs/dbraw/zinc/56/46/46/993564646.db2.gz SPGOBLOLVCIDLW-UHFFFAOYSA-N 1 0 222.376 2.206 20 30 BEEDRO CC(C)[NH+]1CCC(NCC#CC(C)(C)C)CC1 ZINC000387469129 993709082 /nfs/dbraw/zinc/70/90/82/993709082.db2.gz YNBBDIVOOUHHEK-UHFFFAOYSA-N 1 0 236.403 2.498 20 30 BEEDRO C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)C)C1 ZINC001264451935 993728433 /nfs/dbraw/zinc/72/84/33/993728433.db2.gz WBSAPBJPVRIHKG-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[N@H+]1CC[C@H](NC(=O)CCC)[C@H]1CC ZINC001264599236 993735121 /nfs/dbraw/zinc/73/51/21/993735121.db2.gz VENFOMOHMQWJBT-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@H](CC)CCC=C ZINC000389898647 993758976 /nfs/dbraw/zinc/75/89/76/993758976.db2.gz AKAJFXWWIGQWBU-OLZOCXBDSA-N 1 0 209.333 2.095 20 30 BEEDRO C#CCC[C@H](O)C[NH2+][C@@H]1CCCC(C)(C)C1 ZINC000390499080 993790149 /nfs/dbraw/zinc/79/01/49/993790149.db2.gz TYSHIHUJGFQKRT-OLZOCXBDSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C(C)C[N@H+](C)CCCNC(=O)CC(C)(F)F ZINC001265032267 993812910 /nfs/dbraw/zinc/81/29/10/993812910.db2.gz QCLUFQJMGFFQGQ-UHFFFAOYSA-N 1 0 248.317 2.046 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC ZINC001265076923 993812977 /nfs/dbraw/zinc/81/29/77/993812977.db2.gz DJEDPUPCUVAOPB-OLZOCXBDSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[N@H+](CC)CCCNC(=O)/C=C(/C)CC ZINC001265111646 993815212 /nfs/dbraw/zinc/81/52/12/993815212.db2.gz ARBCTWUXOUHZSJ-SEYXRHQNSA-N 1 0 238.375 2.357 20 30 BEEDRO C=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)CCC)C1 ZINC001265301350 993839090 /nfs/dbraw/zinc/83/90/90/993839090.db2.gz IUOYYXAUIGJHBY-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H](CNC(=O)[C@@H](C)CCC)C1CC1 ZINC001265350792 993843177 /nfs/dbraw/zinc/84/31/77/993843177.db2.gz XWGZUQCSMCZIHA-AAEUAGOBSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C(C)(C)C)C1 ZINC001265485068 993862984 /nfs/dbraw/zinc/86/29/84/993862984.db2.gz WSSBZKQADLXSLU-IJLUTSLNSA-N 1 0 238.375 2.091 20 30 BEEDRO CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(C#N)c2)C1 ZINC000701710041 993903920 /nfs/dbraw/zinc/90/39/20/993903920.db2.gz XHQSXVDANGVYJD-CQSZACIVSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)/C=C(/C)C1CC1 ZINC001265756305 993928536 /nfs/dbraw/zinc/92/85/36/993928536.db2.gz BWKTVPZGNAOTLE-MMRAYRKESA-N 1 0 236.359 2.013 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H](C)CCC ZINC001265761634 993932842 /nfs/dbraw/zinc/93/28/42/993932842.db2.gz YBXQLZMYCHCKBH-NEPJUHHUSA-N 1 0 226.364 2.093 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)[C@]1(C)C=CCC1 ZINC001265811180 993949613 /nfs/dbraw/zinc/94/96/13/993949613.db2.gz NFABHPKFMLANCI-TZMCWYRMSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)c1ccc(C=C)cc1 ZINC001265826912 993953004 /nfs/dbraw/zinc/95/30/04/993953004.db2.gz LPJUELFLZHPGCN-GFCCVEGCSA-N 1 0 244.338 2.224 20 30 BEEDRO C=CC[NH2+][C@H](C)CNC(=O)C1(CC=C)CCC1 ZINC001265821770 993953364 /nfs/dbraw/zinc/95/33/64/993953364.db2.gz ZOLSGQOIPUEFPQ-GFCCVEGCSA-N 1 0 236.359 2.013 20 30 BEEDRO C=CCC[NH2+][C@H](C)CNC(=O)c1ccc(C)cc1 ZINC001265856140 993959463 /nfs/dbraw/zinc/95/94/63/993959463.db2.gz KPICEVHPJIJFDV-CYBMUJFWSA-N 1 0 246.354 2.279 20 30 BEEDRO C=CC[N@@H+](C)CCCNC(=O)[C@@H](C)C1CCC1 ZINC001265872000 993964925 /nfs/dbraw/zinc/96/49/25/993964925.db2.gz LDJDEPPCNUMLPM-LBPRGKRZSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C[C@H](COC)[NH2+][C@H](C)c1cnc(C)s1 ZINC000393621391 993972313 /nfs/dbraw/zinc/97/23/13/993972313.db2.gz TUIWJLTWFCVRON-PSASIEDQSA-N 1 0 226.345 2.303 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@@H](O)c1ccccc1F)C(C)(C)C ZINC000702301719 993988294 /nfs/dbraw/zinc/98/82/94/993988294.db2.gz BHEZLEUKNYFEEP-ZIAGYGMSSA-N 1 0 249.329 2.497 20 30 BEEDRO CCOC(C)(C)C[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000702671839 994022554 /nfs/dbraw/zinc/02/25/54/994022554.db2.gz LIYOBRQAUJEBDD-LBPRGKRZSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C(C)C)C1 ZINC001266090769 994033553 /nfs/dbraw/zinc/03/35/53/994033553.db2.gz RJXUCRWJHGBULP-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)C[NH2+][C@@H](C)CCNC(=O)C1=CCCC1 ZINC001266137568 994046995 /nfs/dbraw/zinc/04/69/95/994046995.db2.gz OLBWEAULCSRLSM-LBPRGKRZSA-N 1 0 236.359 2.157 20 30 BEEDRO C=CC(C)(C)C(=O)N(C)C[C@@H]1CC[N@H+]1C(C)C ZINC001316602456 994102970 /nfs/dbraw/zinc/10/29/70/994102970.db2.gz UUGAALSYJHPGIR-LBPRGKRZSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)C[C@H]1CC[N@@H+]1CC ZINC001316604934 994127452 /nfs/dbraw/zinc/12/74/52/994127452.db2.gz HZSPXEVAQSLIGE-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N(C)C[C@H]1CC[N@H+]1CC ZINC001316606633 994138016 /nfs/dbraw/zinc/13/80/16/994138016.db2.gz WYHGASZJMCIKBN-TZMCWYRMSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[NH2+][C@H]1CN(C(=O)CCC(C)C)C[C@@H]1C ZINC001281374544 994158063 /nfs/dbraw/zinc/15/80/63/994158063.db2.gz QQYSDLWAHBMEQT-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H](C)CC)C1 ZINC001281985139 994185745 /nfs/dbraw/zinc/18/57/45/994185745.db2.gz MDTKBGJCALMYAR-HIFPTAJRSA-N 1 0 238.375 2.093 20 30 BEEDRO CCCCCCC[NH2+][C@@H](C)[C@H](C)NC(C)=O ZINC001282083016 994192613 /nfs/dbraw/zinc/19/26/13/994192613.db2.gz JVYHZMGASSJMEN-RYUDHWBXSA-N 1 0 228.380 2.460 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(C)C ZINC001282096797 994200828 /nfs/dbraw/zinc/20/08/28/994200828.db2.gz LKDKICRHKGGSPU-NEPJUHHUSA-N 1 0 226.364 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC(C)(C)C1 ZINC001282122087 994207392 /nfs/dbraw/zinc/20/73/92/994207392.db2.gz FTOGGQNNZNEBDE-MNOVXSKESA-N 1 0 238.375 2.091 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CC(C)(C)CC ZINC001282132551 994209489 /nfs/dbraw/zinc/20/94/89/994209489.db2.gz GPUASFPIXDALER-NEPJUHHUSA-N 1 0 240.391 2.482 20 30 BEEDRO C#CCCCCCC(=O)N[C@H](C)[C@H](C)[NH2+]CC ZINC001282166712 994209789 /nfs/dbraw/zinc/20/97/89/994209789.db2.gz HKUNWUGVEVXZSE-QWHCGFSZSA-N 1 0 238.375 2.073 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC ZINC001282168719 994209917 /nfs/dbraw/zinc/20/99/17/994209917.db2.gz RWJAGVFSTQHSBX-RYUDHWBXSA-N 1 0 240.391 2.482 20 30 BEEDRO C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCF ZINC001282167915 994210717 /nfs/dbraw/zinc/21/07/17/994210717.db2.gz OGQNFQGHOPEHMX-NEPJUHHUSA-N 1 0 244.354 2.185 20 30 BEEDRO C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCC1CC1 ZINC001282166902 994211178 /nfs/dbraw/zinc/21/11/78/994211178.db2.gz IMLJHLPSFJMIKS-NEPJUHHUSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CC1 ZINC001282170417 994211792 /nfs/dbraw/zinc/21/17/92/994211792.db2.gz YKPZUFDWTIXCHY-GHMZBOCLSA-N 1 0 238.375 2.091 20 30 BEEDRO C=C[C@H](CC)CC(=O)NC[C@@H](C)[N@@H+](C)CCC ZINC001282448657 994232310 /nfs/dbraw/zinc/23/23/10/994232310.db2.gz CDIGKOUWUNNUBO-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)CC ZINC001282451720 994242045 /nfs/dbraw/zinc/24/20/45/994242045.db2.gz YXUZHTPRQXVNMV-NSHDSACASA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+]C[C@H](CCCC)NC(C)=O ZINC001282635924 994245090 /nfs/dbraw/zinc/24/50/90/994245090.db2.gz AWTBZCZWCHLMMQ-ZDUSSCGKSA-N 1 0 226.364 2.237 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@H](C)C1C[NH+](CC)C1 ZINC001282733613 994252896 /nfs/dbraw/zinc/25/28/96/994252896.db2.gz GVRLNGWQWMVTAJ-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)CC ZINC001283572261 994282006 /nfs/dbraw/zinc/28/20/06/994282006.db2.gz KWGWPLSGLVBXJG-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)C1CC(C)(C)C1 ZINC001283605487 994285915 /nfs/dbraw/zinc/28/59/15/994285915.db2.gz FFOORGYZWKVAID-LLVKDONJSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC(C)(C)C(=O)N(C)C[C@@H](C)[NH2+]CC ZINC001283678936 994288820 /nfs/dbraw/zinc/28/88/20/994288820.db2.gz JUPIHYQCTDBGFH-LLVKDONJSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)C ZINC001283704534 994292181 /nfs/dbraw/zinc/29/21/81/994292181.db2.gz NGQVFBQLKUVWHY-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H](C)CC ZINC001283693188 994294016 /nfs/dbraw/zinc/29/40/16/994294016.db2.gz WSBLNHWFNVMGCP-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)CCCC)[C@@H]1C ZINC001284117535 994322723 /nfs/dbraw/zinc/32/27/23/994322723.db2.gz GFVKMHAIFZYHHX-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[NH2+][C@H]1CN(C(=O)C(C)C)CC1(C)C ZINC001284263861 994331538 /nfs/dbraw/zinc/33/15/38/994331538.db2.gz XFXHFRZRILYMLV-LBPRGKRZSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCC1(C(=O)NCC[C@H](C)[NH2+]CC)CCC1 ZINC001492077275 995022444 /nfs/dbraw/zinc/02/24/44/995022444.db2.gz COCFSLHJEXUJRO-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)C[N@@H+](C)CCNC(=O)C(CC)CC ZINC001492195649 995033106 /nfs/dbraw/zinc/03/31/06/995033106.db2.gz ZHXMEKSSKDJWDP-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=CC[N@@H+](C)CCNC(=O)[C@@H](C)CCCC ZINC001492239604 995045328 /nfs/dbraw/zinc/04/53/28/995045328.db2.gz UBWQICNITRRLOL-LBPRGKRZSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C(C)C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC001336762216 995100938 /nfs/dbraw/zinc/10/09/38/995100938.db2.gz AALDUBUCTSFLKZ-UHFFFAOYSA-N 1 0 232.327 2.205 20 30 BEEDRO C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1C[C@H]1CCC ZINC001317267275 995115444 /nfs/dbraw/zinc/11/54/44/995115444.db2.gz SQWBDVQPOLVFCJ-YNEHKIRRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)CCNC(=O)C1CCC1 ZINC001317386555 995225542 /nfs/dbraw/zinc/22/55/42/995225542.db2.gz YPKALFHVHGWYMZ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C[NH+](C)CCS[C@@H](C#N)C1CCCC1 ZINC001307320322 995324588 /nfs/dbraw/zinc/32/45/88/995324588.db2.gz PYFMNZOAHOXVLT-NSHDSACASA-N 1 0 212.362 2.364 20 30 BEEDRO COCC[N@@H+](Cc1cc(C#N)ccn1)CC(C)C ZINC001307413672 995351418 /nfs/dbraw/zinc/35/14/18/995351418.db2.gz QCZAUQCIVAZUMV-UHFFFAOYSA-N 1 0 247.342 2.058 20 30 BEEDRO C#CC[N@H+](CC1=NOCC1)C1CCCCC1 ZINC001307445023 995358189 /nfs/dbraw/zinc/35/81/89/995358189.db2.gz RPKKLWUAEXLJNR-UHFFFAOYSA-N 1 0 220.316 2.031 20 30 BEEDRO CCC#C[C@@H](C)[N@H+](C)CCc1nccs1 ZINC001307589529 995409385 /nfs/dbraw/zinc/40/93/85/995409385.db2.gz WCOBROWSLSEZIO-LLVKDONJSA-N 1 0 222.357 2.419 20 30 BEEDRO CO[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1C ZINC001307780952 995457672 /nfs/dbraw/zinc/45/76/72/995457672.db2.gz IREHFISBQUNWPL-YVECIDJPSA-N 1 0 222.332 2.035 20 30 BEEDRO C[C@H]1[C@@H](O)CC[N@@H+]1CCCCC(C)(C)C#N ZINC001307773941 995458827 /nfs/dbraw/zinc/45/88/27/995458827.db2.gz BNEZMLYVYFHRPY-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO N#CC1(C[C@@H](O)C[N@@H+]2C[C@H]3CCCC[C@H]32)CCC1 ZINC001307899560 995492562 /nfs/dbraw/zinc/49/25/62/995492562.db2.gz BGRVLZFVPWTCNL-MGPQQGTHSA-N 1 0 248.370 2.306 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@H]2CSC[C@@]2(C)C1 ZINC001308133097 995562502 /nfs/dbraw/zinc/56/25/02/995562502.db2.gz APWBOVICLMGTNL-FRRDWIJNSA-N 1 0 223.385 2.473 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H](c2cn(C)nn2)C1 ZINC001308150736 995572090 /nfs/dbraw/zinc/57/20/90/995572090.db2.gz JDHYBGZJRRAUPO-CYBMUJFWSA-N 1 0 248.374 2.351 20 30 BEEDRO N#Cc1cc(C[NH2+]CCc2cccnc2)cs1 ZINC001308193537 995596434 /nfs/dbraw/zinc/59/64/34/995596434.db2.gz HFOIIAZJAJGDRO-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO C=C(C)CCC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC001480320200 1170048723 /nfs/dbraw/zinc/04/87/23/1170048723.db2.gz VXPUAHXMSJKPLA-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C(C)(C)CC)C1 ZINC001479961171 1170048674 /nfs/dbraw/zinc/04/86/74/1170048674.db2.gz CEEAHWLJLVTONJ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+]C1(CNC(=O)/C(C)=C\CC)CCC1 ZINC001501923943 1170053282 /nfs/dbraw/zinc/05/32/82/1170053282.db2.gz VKQVGUSRZFLKPX-GHXNOFRVSA-N 1 0 236.359 2.157 20 30 BEEDRO C=C(CC(C)C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC001520987311 1170064155 /nfs/dbraw/zinc/06/41/55/1170064155.db2.gz UINKVEKGAUINBT-CYBMUJFWSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](CC)CNC(=O)C(F)F ZINC001567947383 1170097045 /nfs/dbraw/zinc/09/70/45/1170097045.db2.gz LBUWPGKFDWVYHP-VHSXEESVSA-N 1 0 248.317 2.091 20 30 BEEDRO C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)C1CC1 ZINC001571209410 1170109118 /nfs/dbraw/zinc/10/91/18/1170109118.db2.gz VEQLICDZPNAIEM-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)C(C)C ZINC001571226808 1170109237 /nfs/dbraw/zinc/10/92/37/1170109237.db2.gz NGSLROTUWYQRLY-NSHDSACASA-N 1 0 246.782 2.269 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC)C1 ZINC001571121866 1170109424 /nfs/dbraw/zinc/10/94/24/1170109424.db2.gz NXQBRKQQBLEIOH-HAQNSBGRSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCC[NH2+]CCC[C@H](C)NC(=O)C1CCC1 ZINC001571209119 1170108946 /nfs/dbraw/zinc/10/89/46/1170108946.db2.gz OTEICRORPWCAOZ-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(C)CCC(=O)N(C)C[C@@H](C)[NH2+]CCC ZINC001571389491 1170110600 /nfs/dbraw/zinc/11/06/00/1170110600.db2.gz NJLHRPLSDVYAJH-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)C1 ZINC001620979020 1170179065 /nfs/dbraw/zinc/17/90/65/1170179065.db2.gz IFWBDHURXGWABS-NJVJYBDUSA-N 1 0 248.370 2.473 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)C1 ZINC001620979019 1170179014 /nfs/dbraw/zinc/17/90/14/1170179014.db2.gz IFWBDHURXGWABS-BTFPBAQTSA-N 1 0 248.370 2.473 20 30 BEEDRO N#Cc1ccc(F)cc1N[C@@H]1C[NH+]2CCC1CC2 ZINC001613060136 1170471387 /nfs/dbraw/zinc/47/13/87/1170471387.db2.gz HQEOALVKOTZULV-CQSZACIVSA-N 1 0 245.301 2.203 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H](C)OC(C)(C)C1 ZINC001615303764 1170510854 /nfs/dbraw/zinc/51/08/54/1170510854.db2.gz WHHZRMAYERFVHD-VXGBXAGGSA-N 1 0 209.333 2.288 20 30 BEEDRO C#CC[NH+](CC#C)C[C@@H]1CCCC12CCOCC2 ZINC001615607890 1170525159 /nfs/dbraw/zinc/52/51/59/1170525159.db2.gz RFLJBSFLEFUYOP-HNNXBMFYSA-N 1 0 245.366 2.152 20 30 BEEDRO CC1(C)C[C@H](O)CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC001617939529 1170608771 /nfs/dbraw/zinc/60/87/71/1170608771.db2.gz GDZLBFRBKUOERM-JHJVBQTASA-N 1 0 236.359 2.162 20 30 BEEDRO COc1ccc(C#N)cc1N[C@H]1CCC[N@H+](C)C1 ZINC001621240257 1170661962 /nfs/dbraw/zinc/66/19/62/1170661962.db2.gz YOSYWAQUGKEDMI-LBPRGKRZSA-N 1 0 245.326 2.073 20 30 BEEDRO Cc1ccc(C[NH2+]CC2(C#N)CCOCC2)cc1 ZINC001621102349 1170716728 /nfs/dbraw/zinc/71/67/28/1170716728.db2.gz IVSYBIFYCUDKBE-UHFFFAOYSA-N 1 0 244.338 2.405 20 30 BEEDRO CC#CCC[NH2+]Cc1cn(CCC)nc1C ZINC001621216961 1170746566 /nfs/dbraw/zinc/74/65/66/1170746566.db2.gz XTCDJJHCXKKZQC-UHFFFAOYSA-N 1 0 219.332 2.105 20 30 BEEDRO C#CCCC[NH2+]Cc1c(F)nccc1Cl ZINC001621308184 1170768576 /nfs/dbraw/zinc/76/85/76/1170768576.db2.gz FAICKGJMFFICTF-UHFFFAOYSA-N 1 0 226.682 2.377 20 30 BEEDRO C#C[C@@H](C)[NH2+]C/C=C\c1cccc(F)c1 ZINC001621324589 1170771835 /nfs/dbraw/zinc/77/18/35/1170771835.db2.gz QSZNAQKDLNHWSE-JPVGGKMYSA-N 1 0 203.260 2.450 20 30 BEEDRO C#C[C@H](CO)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC001621460020 1170817089 /nfs/dbraw/zinc/81/70/89/1170817089.db2.gz AGRNPLGZEIXKAD-GXTWGEPZSA-N 1 0 223.360 2.177 20 30 BEEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](C)c1ccc(F)cc1 ZINC001621504157 1170831473 /nfs/dbraw/zinc/83/14/73/1170831473.db2.gz UWUIWNWJAZKHJO-SWLSCSKDSA-N 1 0 249.329 2.293 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCC[C@H]2C(C)C)C1 ZINC001621521721 1170833915 /nfs/dbraw/zinc/83/39/15/1170833915.db2.gz IMFUTNKVLXRSDN-JYJNAYRXSA-N 1 0 248.414 2.498 20 30 BEEDRO C#Cc1ccc(N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC001621558065 1170850441 /nfs/dbraw/zinc/85/04/41/1170850441.db2.gz AWZFVZVSCVEXFH-CQSZACIVSA-N 1 0 214.312 2.174 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)C(C)C)C1 ZINC001621574074 1170854315 /nfs/dbraw/zinc/85/43/15/1170854315.db2.gz CRGVNCYHQWILRK-UPJWGTAASA-N 1 0 211.349 2.338 20 30 BEEDRO C[C@H](CC[NH+](C)C)C(=O)Nc1cccc(C#N)c1 ZINC001623979393 1170992792 /nfs/dbraw/zinc/99/27/92/1170992792.db2.gz UWLLWPXDLSLBNK-LLVKDONJSA-N 1 0 245.326 2.085 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cc1ccco1 ZINC000038092589 1171019093 /nfs/dbraw/zinc/01/90/93/1171019093.db2.gz GXQUFEPHUWUXMW-QWRGUYRKSA-N 1 0 206.289 2.492 20 30 BEEDRO C=CCCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001626793346 1171137775 /nfs/dbraw/zinc/13/77/75/1171137775.db2.gz RJCQBXAIMZMTTL-CHWSQXEVSA-N 1 0 238.375 2.189 20 30 BEEDRO CC(C)(C)[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000042350066 1171223362 /nfs/dbraw/zinc/22/33/62/1171223362.db2.gz AIOKKEYBOVCMNZ-UHFFFAOYSA-N 1 0 243.354 2.479 20 30 BEEDRO CC[C@H](CC#N)N(C)CCc1ccncc1 ZINC000048260059 1171603577 /nfs/dbraw/zinc/60/35/77/1171603577.db2.gz KLVDFOBARBQLBC-CYBMUJFWSA-N 1 0 217.316 2.248 20 30 BEEDRO C#CCCCCC(=O)Nc1ccc2c[nH+]cn2c1 ZINC001636203893 1171808794 /nfs/dbraw/zinc/80/87/94/1171808794.db2.gz URBACIDRLWWFER-UHFFFAOYSA-N 1 0 241.294 2.466 20 30 BEEDRO N#Cc1c(F)cccc1OC[C@H]1CCC[NH2+]C1 ZINC000051883136 1171922672 /nfs/dbraw/zinc/92/26/72/1171922672.db2.gz XZZSVCFGCNFSHY-JTQLQIEISA-N 1 0 234.274 2.076 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CCc1ccco1 ZINC000186718206 136207986 /nfs/dbraw/zinc/20/79/86/136207986.db2.gz BCIOVYQJEBKSPI-NWDGAFQWSA-N 1 0 223.316 2.127 20 30 BEEDRO CC(C)C(C)(C)CNC(=[NH2+])NCC1CCC1 ZINC000187848509 136208224 /nfs/dbraw/zinc/20/82/24/136208224.db2.gz WNGDKQUXXWFOFN-UHFFFAOYSA-N 1 0 225.380 2.373 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Cc2ccccc2)C1 ZINC000649322002 398143733 /nfs/dbraw/zinc/14/37/33/398143733.db2.gz VIBSKCORCBGEBD-HOTGVXAUSA-N 1 0 245.366 2.488 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cnc(C)nc1C ZINC000122966242 398145545 /nfs/dbraw/zinc/14/55/45/398145545.db2.gz WSQAZBMDFMIRMU-BDAKNGLRSA-N 1 0 205.305 2.319 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000272579726 398147127 /nfs/dbraw/zinc/14/71/27/398147127.db2.gz ROPCVEZXSNWIOQ-CQSZACIVSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1ccc(OC)cc1 ZINC000054272369 343979557 /nfs/dbraw/zinc/97/95/57/343979557.db2.gz JVHVEBUOPMLTOM-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccsc1C ZINC000379543083 398152178 /nfs/dbraw/zinc/15/21/78/398152178.db2.gz RZJITUGHNCFSNR-UHFFFAOYSA-N 1 0 211.330 2.349 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000649340849 398157490 /nfs/dbraw/zinc/15/74/90/398157490.db2.gz AWJXPCIPGHRODR-AVGNSLFASA-N 1 0 209.333 2.045 20 30 BEEDRO Cc1cc(C[NH2+][C@@H]2COCC2(C)C)ccc1C#N ZINC000336228298 178036060 /nfs/dbraw/zinc/03/60/60/178036060.db2.gz YLGKLVVMPOJNEL-CQSZACIVSA-N 1 0 244.338 2.381 20 30 BEEDRO Cc1cc(C[NH2+][C@@](C)(CO)C(C)C)ccc1C#N ZINC000352895960 178036769 /nfs/dbraw/zinc/03/67/69/178036769.db2.gz WQNMROSCMCEVRZ-HNNXBMFYSA-N 1 0 246.354 2.363 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCC1(C)C ZINC000309156054 136217709 /nfs/dbraw/zinc/21/77/09/136217709.db2.gz XKFIBDFHSAFKNF-NEPJUHHUSA-N 1 0 211.349 2.339 20 30 BEEDRO CC(C)(C)c1n[nH]cc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424204318 398174425 /nfs/dbraw/zinc/17/44/25/398174425.db2.gz VKMPRWNLWOPVFW-CMPLNLGQSA-N 1 0 246.358 2.489 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCSC2)ccc1C#N ZINC000309884801 178040023 /nfs/dbraw/zinc/04/00/23/178040023.db2.gz XPXDPYXZZZOYEM-ZDUSSCGKSA-N 1 0 232.352 2.462 20 30 BEEDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC2(C#N)CCC2)C1 ZINC000450848508 398178751 /nfs/dbraw/zinc/17/87/51/398178751.db2.gz UPQKESPSSPWVMZ-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CCC[C@H](C)N[C@@H](CCC)C(=O)OC ZINC000308955673 136217156 /nfs/dbraw/zinc/21/71/56/136217156.db2.gz QOBWQINKIWPSSE-QWRGUYRKSA-N 1 0 213.321 2.272 20 30 BEEDRO C=CC[NH2+][C@@H](COC)c1ccc(F)cc1 ZINC000308957203 136217180 /nfs/dbraw/zinc/21/71/80/136217180.db2.gz QXJKJVSXJMDHNP-LBPRGKRZSA-N 1 0 209.264 2.289 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)nn1 ZINC000424291689 398180505 /nfs/dbraw/zinc/18/05/05/398180505.db2.gz FCWSCLNQPFBTMD-MBNYWOFBSA-N 1 0 248.374 2.378 20 30 BEEDRO COc1ccc([C@H](C)CCNC(=[NH2+])N(C)C)cc1 ZINC000178582893 136217385 /nfs/dbraw/zinc/21/73/85/136217385.db2.gz IXWJLBDTTFVQOB-LLVKDONJSA-N 1 0 249.358 2.065 20 30 BEEDRO C=C(CN[C@@H]1C[NH2+]CC[C@@H]1C)c1ccccc1 ZINC000423021748 398162096 /nfs/dbraw/zinc/16/20/96/398162096.db2.gz CSTJHYGHNFMPNL-SWLSCSKDSA-N 1 0 230.355 2.287 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1sccc1OC ZINC000336709145 136217562 /nfs/dbraw/zinc/21/75/62/136217562.db2.gz QZPHCPJJDRBMFW-SNVBAGLBSA-N 1 0 241.356 2.031 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000649885778 398164812 /nfs/dbraw/zinc/16/48/12/398164812.db2.gz AKEUXMCWAXCVIW-FQKPHLNHSA-N 1 0 233.355 2.067 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000649968963 398199242 /nfs/dbraw/zinc/19/92/42/398199242.db2.gz VHANSZRJRBBKIQ-TUAOUCFPSA-N 1 0 209.333 2.191 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1csc(C)n1 ZINC000336737453 136218540 /nfs/dbraw/zinc/21/85/40/136218540.db2.gz JKFIUVMKLIOGCK-KOLCDFICSA-N 1 0 240.372 2.287 20 30 BEEDRO CCC[C@@H]([NH2+]CC#CCOC)C(C)(C)C ZINC000649931939 398190145 /nfs/dbraw/zinc/19/01/45/398190145.db2.gz IXFNVCUKYWJPEB-GFCCVEGCSA-N 1 0 211.349 2.441 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000649929670 398190286 /nfs/dbraw/zinc/19/02/86/398190286.db2.gz DIJMYJQNXBSCJU-XQLPTFJDSA-N 1 0 235.371 2.414 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000649929669 398190412 /nfs/dbraw/zinc/19/04/12/398190412.db2.gz DIJMYJQNXBSCJU-GBJTYRQASA-N 1 0 235.371 2.414 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000649390422 398194742 /nfs/dbraw/zinc/19/47/42/398194742.db2.gz UQKCZCWWHZHIKT-OAHLLOKOSA-N 1 0 248.370 2.121 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@@H](OCC)C1(C)C ZINC000649961490 398197421 /nfs/dbraw/zinc/19/74/21/398197421.db2.gz NGULYSWQUCCHPN-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CC[C@@H](CC)[NH2+][C@H](C)c1nccn1C ZINC000336731747 136218163 /nfs/dbraw/zinc/21/81/63/136218163.db2.gz LASXXRZZMIJELM-GHMZBOCLSA-N 1 0 207.321 2.425 20 30 BEEDRO CC#CCC[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000336732212 136218216 /nfs/dbraw/zinc/21/82/16/136218216.db2.gz LJVSDCLSRRMXFG-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(O)CC(OCC)C1 ZINC000446832516 201697536 /nfs/dbraw/zinc/69/75/36/201697536.db2.gz BSZNXXZGZBVHRI-KBHBFKLGSA-N 1 0 241.375 2.107 20 30 BEEDRO CCOCCC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000382801432 398202293 /nfs/dbraw/zinc/20/22/93/398202293.db2.gz SHGOXVNHIMSDHW-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCSC2)C1 ZINC000336744662 136219483 /nfs/dbraw/zinc/21/94/83/136219483.db2.gz ZRZIIXZZSWIMQJ-IJLUTSLNSA-N 1 0 224.373 2.411 20 30 BEEDRO CC(C)C[C@@H](CO)[N@H+](C)CCCCC#N ZINC000185331764 136219769 /nfs/dbraw/zinc/21/97/69/136219769.db2.gz ILFQQNOZGQBUIP-LBPRGKRZSA-N 1 0 212.337 2.019 20 30 BEEDRO COC1CCC(CC[NH2+]CCC#N)CC1 ZINC000576272690 365545054 /nfs/dbraw/zinc/54/50/54/365545054.db2.gz DAHLWGZRZHRMPD-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO CCC(CC)[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000310009261 136220197 /nfs/dbraw/zinc/22/01/97/136220197.db2.gz HZBSLVAYBODOMY-CYZMBNFOSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1cnccn1 ZINC000336753027 136220216 /nfs/dbraw/zinc/22/02/16/136220216.db2.gz WDVFMNSEDONBBB-NEPJUHHUSA-N 1 0 219.332 2.209 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1csc(C)n1 ZINC000336737452 136218784 /nfs/dbraw/zinc/21/87/84/136218784.db2.gz JKFIUVMKLIOGCK-GXSJLCMTSA-N 1 0 240.372 2.287 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@@](C)(O)C1CC1 ZINC000336736661 136218808 /nfs/dbraw/zinc/21/88/08/136218808.db2.gz PNVIBAUPVLYLCA-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000650000997 398213501 /nfs/dbraw/zinc/21/35/01/398213501.db2.gz OLERWUZLSNPJPX-FRRDWIJNSA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC000186714648 349517704 /nfs/dbraw/zinc/51/77/04/349517704.db2.gz OBCJOFHQYPFPFK-GWCFXTLKSA-N 1 0 223.291 2.413 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414129846 398218152 /nfs/dbraw/zinc/21/81/52/398218152.db2.gz VNKJUODKGBBVTM-YRGRVCCFSA-N 1 0 222.376 2.271 20 30 BEEDRO C[C@@H]1CSCC[N@H+](CC2(CC#N)CC2)C1 ZINC000380381328 343985366 /nfs/dbraw/zinc/98/53/66/343985366.db2.gz PXYDSETURKFTOF-NSHDSACASA-N 1 0 224.373 2.365 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cnc(CC)nc1 ZINC000414362217 398220252 /nfs/dbraw/zinc/22/02/52/398220252.db2.gz DPCARAWKOQYBTK-UHFFFAOYSA-N 1 0 219.332 2.437 20 30 BEEDRO C[C@H]([NH2+]CC1(CO)CCC1)c1ccc(C#N)cc1 ZINC000184533660 398221723 /nfs/dbraw/zinc/22/17/23/398221723.db2.gz AAWWEDBOZBKHIO-LBPRGKRZSA-N 1 0 244.338 2.371 20 30 BEEDRO Cc1cc(N[C@H](C)CC[NH+](C)C)cc(C#N)n1 ZINC000308276395 178186514 /nfs/dbraw/zinc/18/65/14/178186514.db2.gz OPURSEZJHJNSQO-SNVBAGLBSA-N 1 0 232.331 2.014 20 30 BEEDRO CN(Cc1ccc(C#N)s1)C[C@H]1CCC[N@@H+]1C ZINC000421399468 192330789 /nfs/dbraw/zinc/33/07/89/192330789.db2.gz AJSMZFOKLFCPOF-LLVKDONJSA-N 1 0 249.383 2.146 20 30 BEEDRO C[C@@H]1C[C@@H](CO)C[N@H+](CC(C)(C)CCC#N)C1 ZINC000421361686 192332359 /nfs/dbraw/zinc/33/23/59/192332359.db2.gz LKXQUTAFDHUDHP-CHWSQXEVSA-N 1 0 238.375 2.267 20 30 BEEDRO Cc1nccnc1[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000430762644 398231205 /nfs/dbraw/zinc/23/12/05/398231205.db2.gz OQJXSLWHNZBYML-NSHDSACASA-N 1 0 230.315 2.130 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000602439931 349526574 /nfs/dbraw/zinc/52/65/74/349526574.db2.gz HSMPOMSFWASYQK-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)C[C@H]1CCCO1 ZINC000602441654 349527099 /nfs/dbraw/zinc/52/70/99/349527099.db2.gz PSHQJUMZEFCZRC-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CCN(CCC#N)[C@@H](C)c1cnc(C)nc1C ZINC000602439351 349525620 /nfs/dbraw/zinc/52/56/20/349525620.db2.gz YWUBKJLSNDNLTI-NSHDSACASA-N 1 0 232.331 2.390 20 30 BEEDRO CCN(CC)[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602438456 349525798 /nfs/dbraw/zinc/52/57/98/349525798.db2.gz RAFQRNLZUQXPIH-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO C=CC[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281231811 136227757 /nfs/dbraw/zinc/22/77/57/136227757.db2.gz UEJCFAWWEGUZFN-ZDUSSCGKSA-N 1 0 244.338 2.157 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1nnc2ccccn21 ZINC000182724179 136228288 /nfs/dbraw/zinc/22/82/88/136228288.db2.gz UUULRQFCKINPGE-NSHDSACASA-N 1 0 230.315 2.346 20 30 BEEDRO N#CC1(C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000576570220 365627948 /nfs/dbraw/zinc/62/79/48/365627948.db2.gz IOKASTYNXIUHOK-UHFFFAOYSA-N 1 0 234.343 2.372 20 30 BEEDRO C=CC[N@H+](C)CCN1CCc2ccccc21 ZINC000293326385 136229377 /nfs/dbraw/zinc/22/93/77/136229377.db2.gz WNJJRRYRMUHBSO-UHFFFAOYSA-N 1 0 216.328 2.167 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ncc[nH]1 ZINC000287394556 538945282 /nfs/dbraw/zinc/94/52/82/538945282.db2.gz IVNBAEAWNNGZRD-SRVKXCTJSA-N 1 0 235.331 2.042 20 30 BEEDRO CC#CC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000293186915 136229696 /nfs/dbraw/zinc/22/96/96/136229696.db2.gz PXZKXIIHXOIRLR-UHFFFAOYSA-N 1 0 239.322 2.327 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cncn1C ZINC000289846662 538946171 /nfs/dbraw/zinc/94/61/71/538946171.db2.gz QFTBVWAKUMBXTN-MNOVXSKESA-N 1 0 207.321 2.110 20 30 BEEDRO CCC1(CO)CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602470825 349541875 /nfs/dbraw/zinc/54/18/75/349541875.db2.gz IJJPATTVBZXHAZ-CYBMUJFWSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H](CCC#N)C[NH+]1CCN(C2CCC2)CC1 ZINC000602470172 349541998 /nfs/dbraw/zinc/54/19/98/349541998.db2.gz XEXFBOGIKOCLSD-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO CC[N@H+](C[C@@H](C)CCC#N)C[C@@H]1CCOC1 ZINC000602446032 349546274 /nfs/dbraw/zinc/54/62/74/349546274.db2.gz ZGDOPNUMMNNOKG-STQMWFEESA-N 1 0 224.348 2.285 20 30 BEEDRO CC[N@H+](CCC[C@H]1CCO1)C[C@@H](C)C#N ZINC000602446973 349547808 /nfs/dbraw/zinc/54/78/08/349547808.db2.gz JHECDGSTIASEGI-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000602449090 349549771 /nfs/dbraw/zinc/54/97/71/349549771.db2.gz CBDAAOSZMBFOPR-HUUCEWRRSA-N 1 0 249.402 2.486 20 30 BEEDRO CO[C@H]1CCC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602451140 349552097 /nfs/dbraw/zinc/55/20/97/349552097.db2.gz YGKWACOQAJGONH-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](C)OC(C)(C)C1 ZINC000602456226 349553436 /nfs/dbraw/zinc/55/34/36/349553436.db2.gz VSJCPVYYHUKHRJ-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](O)C1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602458955 349554382 /nfs/dbraw/zinc/55/43/82/349554382.db2.gz RNCUPQTUOMNUCQ-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000602461686 349556181 /nfs/dbraw/zinc/55/61/81/349556181.db2.gz ZPLAFEHSLAZFJC-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[C@H]1C[N@H+](C[C@H](C)CCC#N)CCO1 ZINC000602472117 349542845 /nfs/dbraw/zinc/54/28/45/349542845.db2.gz GUWFMPQFTHQUNG-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO COC(=O)CC[N@H+](C[C@@H](C)CCC#N)C(C)C ZINC000602472848 349544516 /nfs/dbraw/zinc/54/45/16/349544516.db2.gz LQTRKUMSGWEZOA-LBPRGKRZSA-N 1 0 240.347 2.200 20 30 BEEDRO C[C@H](CCC#N)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000602475948 349563172 /nfs/dbraw/zinc/56/31/72/349563172.db2.gz UWKZCFQOHJDORC-AGIUHOORSA-N 1 0 224.348 2.162 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCCOC[C@@H]1C ZINC000602476215 349563627 /nfs/dbraw/zinc/56/36/27/349563627.db2.gz WPOMZOVWHYTIPG-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CCN1C[C@H](C)[N@H+](C[C@@H](C)CCC#N)C[C@@H]1C ZINC000602477289 349564291 /nfs/dbraw/zinc/56/42/91/349564291.db2.gz JIMOHFRLGYBBBB-IHRRRGAJSA-N 1 0 237.391 2.341 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000602477770 349564322 /nfs/dbraw/zinc/56/43/22/349564322.db2.gz UCSDAGLIVLNZNT-WCQYABFASA-N 1 0 222.332 2.037 20 30 BEEDRO CCC(C#N)(CC)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000602483361 349566175 /nfs/dbraw/zinc/56/61/75/349566175.db2.gz JBEUTRFMRJLDOD-UHFFFAOYSA-N 1 0 245.326 2.414 20 30 BEEDRO C[C@H](C#N)C[N@H+](CCC[C@@H]1CCO1)C1CC1 ZINC000602484265 349567272 /nfs/dbraw/zinc/56/72/72/349567272.db2.gz NQUHVCULPPSJPD-DGCLKSJQSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCC[C@H]1CCO1)C1CC1 ZINC000602484264 349567439 /nfs/dbraw/zinc/56/74/39/349567439.db2.gz NQUHVCULPPSJPD-AAEUAGOBSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@](C)(C[N@H+](C[C@H](C)C#N)C1CC1)OC ZINC000602488118 349570009 /nfs/dbraw/zinc/57/00/09/349570009.db2.gz ZMYPHEZWOLTGIK-DGCLKSJQSA-N 1 0 224.348 2.426 20 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BEEDRO CCCCOCC[NH2+]C1CCC(C#N)CC1 ZINC000602524239 349576898 /nfs/dbraw/zinc/57/68/98/349576898.db2.gz MCNRXAIJTKRXSX-UHFFFAOYSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCCCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000649469888 398269644 /nfs/dbraw/zinc/26/96/44/398269644.db2.gz WRDGMAIHEWUGMF-GFCCVEGCSA-N 1 0 211.349 2.436 20 30 BEEDRO CCCCC[NH2+]Cc1cccc(C#N)n1 ZINC000602504187 349581263 /nfs/dbraw/zinc/58/12/63/349581263.db2.gz LQWZCOUMGSNCLT-UHFFFAOYSA-N 1 0 203.289 2.233 20 30 BEEDRO CCN1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602506622 349582808 /nfs/dbraw/zinc/58/28/08/349582808.db2.gz FJSGHXCIRPTXBA-RUXDESIVSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCSCC[NH2+]C[C@H](C)CCC#N ZINC000602547100 349590126 /nfs/dbraw/zinc/59/01/26/349590126.db2.gz ZKJALYSSOVVQAC-LLVKDONJSA-N 1 0 212.362 2.435 20 30 BEEDRO Cc1nccn1C[C@H](C)C[NH2+]C[C@H](C)CCC#N ZINC000602508348 349583482 /nfs/dbraw/zinc/58/34/82/349583482.db2.gz BINXMKCCGSBOSY-CHWSQXEVSA-N 1 0 248.374 2.357 20 30 BEEDRO CC[C@@H](C[NH2+]C[C@H](C)CCC#N)N1CCCC1 ZINC000602507236 349583501 /nfs/dbraw/zinc/58/35/01/349583501.db2.gz DOAPGHGKMUNYOO-KGLIPLIRSA-N 1 0 237.391 2.390 20 30 BEEDRO CC[C@@H](C[NH2+]C[C@@H](C)CCC#N)N1CCCC1 ZINC000602507235 349583554 /nfs/dbraw/zinc/58/35/54/349583554.db2.gz DOAPGHGKMUNYOO-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCOCC1CC1 ZINC000602509135 349584082 /nfs/dbraw/zinc/58/40/82/349584082.db2.gz BVVGWOFLIDLVMQ-LBPRGKRZSA-N 1 0 224.348 2.333 20 30 BEEDRO CC[C@H](C)[C@](C)(O)C[NH2+]C[C@@H](C)CCC#N ZINC000602547568 349590414 /nfs/dbraw/zinc/59/04/14/349590414.db2.gz ZGCFAEPMDKZYNX-RWMBFGLXSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCCC[C@@H]1C ZINC000602514456 349586777 /nfs/dbraw/zinc/58/67/77/349586777.db2.gz JOPKOXZJFXAWQT-KBPBESRZSA-N 1 0 237.391 2.390 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCN3CCCC[C@H]23)CC1 ZINC000602514576 349587069 /nfs/dbraw/zinc/58/70/69/349587069.db2.gz NXLLOALMNJPUBU-PFSRBDOWSA-N 1 0 247.386 2.285 20 30 BEEDRO C=CCSCC[NH2+]CC1CC(OCC)C1 ZINC000602544603 349588871 /nfs/dbraw/zinc/58/88/71/349588871.db2.gz MRRUEEJPZOIEAT-UHFFFAOYSA-N 1 0 229.389 2.310 20 30 BEEDRO C=CCSCC[NH2+]CCC[C@H]1CCO1 ZINC000602545257 349588925 /nfs/dbraw/zinc/58/89/25/349588925.db2.gz OTNMYQLXYUKHLU-NSHDSACASA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCSCC[NH2+]Cc1cccc(F)c1N ZINC000602546605 349589474 /nfs/dbraw/zinc/58/94/74/349589474.db2.gz VPUFFODLDNULTG-UHFFFAOYSA-N 1 0 240.347 2.417 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000346194947 136233818 /nfs/dbraw/zinc/23/38/18/136233818.db2.gz PNTBTZXLSSIESW-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)C1CCCCC1 ZINC000602558978 349598979 /nfs/dbraw/zinc/59/89/79/349598979.db2.gz ACWWKHPIPNZDNN-GXTWGEPZSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+]C[C@@H](C)CCC#N ZINC000602558944 349599180 /nfs/dbraw/zinc/59/91/80/349599180.db2.gz QMVIZANZTKIMKZ-RWMBFGLXSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CCN1C ZINC000602558797 349599315 /nfs/dbraw/zinc/59/93/15/349599315.db2.gz FGUSNSVQIBYNQN-BLYZHGLHSA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H](C[NH2+]C1CCC(C#N)CC1)C[C@H](C)O ZINC000602560816 349599792 /nfs/dbraw/zinc/59/97/92/349599792.db2.gz UZJIQKWPDHENNI-IALDZJHCSA-N 1 0 224.348 2.065 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602550806 349592060 /nfs/dbraw/zinc/59/20/60/349592060.db2.gz NLOGJBVTSBQRNC-QFWMXSHPSA-N 1 0 246.358 2.462 20 30 BEEDRO CC[C@H](O)CCC[NH2+]C1CCC(C#N)CC1 ZINC000602551198 349593001 /nfs/dbraw/zinc/59/30/01/349593001.db2.gz NOSNOGOHORRXIS-BPCQOVAHSA-N 1 0 224.348 2.209 20 30 BEEDRO CSC[C@@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602551264 349593025 /nfs/dbraw/zinc/59/30/25/349593025.db2.gz GYVIDTCKHSRXFF-KPPDAEKUSA-N 1 0 212.362 2.410 20 30 BEEDRO CSCCC[NH2+]C[C@H](C)CCC#N ZINC000602551868 349593963 /nfs/dbraw/zinc/59/39/63/349593963.db2.gz KMHKDIVPTJLOEU-SNVBAGLBSA-N 1 0 200.351 2.269 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602552475 349594516 /nfs/dbraw/zinc/59/45/16/349594516.db2.gz SKPVSKPTJUXLPS-JTQLQIEISA-N 1 0 201.273 2.007 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]C[C@H](C)CCC#N ZINC000602556982 349597619 /nfs/dbraw/zinc/59/76/19/349597619.db2.gz HXMDGPFAPDCCTP-OLZOCXBDSA-N 1 0 226.364 2.315 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc(C#N)s1 ZINC000165227095 361836733 /nfs/dbraw/zinc/83/67/33/361836733.db2.gz NXIJWFJXFZKMLE-UHFFFAOYSA-N 1 0 219.313 2.403 20 30 BEEDRO N#CC1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000602577383 349606729 /nfs/dbraw/zinc/60/67/29/349606729.db2.gz SLWKAODYZSTCNZ-UHFFFAOYSA-N 1 0 233.290 2.393 20 30 BEEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602577165 349606735 /nfs/dbraw/zinc/60/67/35/349606735.db2.gz UIFVMLFRGGFRPH-IKWCTNDRSA-N 1 0 222.332 2.226 20 30 BEEDRO CCc1nnc([C@@H](C)[NH2+]C2CCC(C#N)CC2)[nH]1 ZINC000602580735 349608367 /nfs/dbraw/zinc/60/83/67/349608367.db2.gz ZLGLVRQBGURJDC-KPPDAEKUSA-N 1 0 247.346 2.100 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1ccc(CO)cc1 ZINC000602580842 349608383 /nfs/dbraw/zinc/60/83/83/349608383.db2.gz IIDSFHONQALIAY-ZDUSSCGKSA-N 1 0 246.354 2.251 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC(C)(C)CCCO ZINC000602581534 349609433 /nfs/dbraw/zinc/60/94/33/349609433.db2.gz JXACIJKLUJIELA-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C[C@H]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)CCO1 ZINC000602582278 349609996 /nfs/dbraw/zinc/60/99/96/349609996.db2.gz QNDUWOSJJMOEOC-AHPWVWPOSA-N 1 0 236.359 2.473 20 30 BEEDRO CO[C@H]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602582761 349610054 /nfs/dbraw/zinc/61/00/54/349610054.db2.gz NWITXNLFTLYGIF-YIOUJQMASA-N 1 0 236.359 2.473 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(N(C)C)n1 ZINC000602583791 349611075 /nfs/dbraw/zinc/61/10/75/349611075.db2.gz YBDWVUWPQVUUIZ-GFCCVEGCSA-N 1 0 246.358 2.177 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cccc(CO)c1 ZINC000602539730 349605464 /nfs/dbraw/zinc/60/54/64/349605464.db2.gz JNWCBVSOAQCMTB-GFCCVEGCSA-N 1 0 232.327 2.208 20 30 BEEDRO Cc1ncc(C[NH2+][C@H]2CC[C@@H](CC#N)C2)o1 ZINC000600162241 342693669 /nfs/dbraw/zinc/69/36/69/342693669.db2.gz QCFHPYABYOENHY-QWRGUYRKSA-N 1 0 219.288 2.155 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2cnc(C3CC3)o2)C1 ZINC000600175294 342696221 /nfs/dbraw/zinc/69/62/21/342696221.db2.gz UGXDWEKUPVNENH-CYBMUJFWSA-N 1 0 231.299 2.288 20 30 BEEDRO C[C@H](CCC#N)C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000602586084 349612890 /nfs/dbraw/zinc/61/28/90/349612890.db2.gz YNDUWTZVWHJTHL-UTUOFQBUSA-N 1 0 210.321 2.035 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]Cc1ccno1 ZINC000231881004 342742607 /nfs/dbraw/zinc/74/26/07/342742607.db2.gz TZZGYQWJPUGYKK-UHFFFAOYSA-N 1 0 207.277 2.094 20 30 BEEDRO Cc1cccc(CCN(C)CC(C)(C)C#N)n1 ZINC000583931986 342728103 /nfs/dbraw/zinc/72/81/03/342728103.db2.gz QCCFXWRPBHRXOK-UHFFFAOYSA-N 1 0 231.343 2.414 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)c1cccnc1 ZINC000348690178 136236714 /nfs/dbraw/zinc/23/67/14/136236714.db2.gz XRRSBGMIAJLUHU-JSGCOSHPSA-N 1 0 234.343 2.102 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cscn1 ZINC000320296715 342733089 /nfs/dbraw/zinc/73/30/89/342733089.db2.gz RHXHZPYDUSLOOH-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCSC2)CC1 ZINC000602563820 349616527 /nfs/dbraw/zinc/61/65/27/349616527.db2.gz OSSQMWRBTHIZLS-ILDUYXDCSA-N 1 0 210.346 2.164 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000320688696 342736089 /nfs/dbraw/zinc/73/60/89/342736089.db2.gz VZWNYADAOQCQEV-CYBMUJFWSA-N 1 0 230.311 2.195 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCCS1 ZINC000602566371 349618583 /nfs/dbraw/zinc/61/85/83/349618583.db2.gz CLQWUGLSXGYWJL-MNOVXSKESA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CC1(CCO)CCC1 ZINC000602566785 349618623 /nfs/dbraw/zinc/61/86/23/349618623.db2.gz GCPFDMCTCAMYPH-GFCCVEGCSA-N 1 0 224.348 2.069 20 30 BEEDRO CCCCN(C)CC[NH2+]C1CCC(C#N)CC1 ZINC000602567127 349618668 /nfs/dbraw/zinc/61/86/68/349618668.db2.gz VCIMLYJJXXDMJQ-UHFFFAOYSA-N 1 0 237.391 2.390 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000348690177 136236846 /nfs/dbraw/zinc/23/68/46/136236846.db2.gz XRRSBGMIAJLUHU-GXTWGEPZSA-N 1 0 234.343 2.102 20 30 BEEDRO CCC(CC)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189572889 168388491 /nfs/dbraw/zinc/38/84/91/168388491.db2.gz PVGBMRHNXUSKJR-UHFFFAOYSA-N 1 0 205.305 2.175 20 30 BEEDRO CC#CC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000607727291 342782397 /nfs/dbraw/zinc/78/23/97/342782397.db2.gz XDOOOFANXWKKOZ-GASCZTMLSA-N 1 0 240.350 2.078 20 30 BEEDRO COCC#CC[NH2+][C@H](C)c1cccs1 ZINC000379548489 538978275 /nfs/dbraw/zinc/97/82/75/538978275.db2.gz YWPPJDBFYOOJRJ-SNVBAGLBSA-N 1 0 209.314 2.049 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)CC(C)(C)C ZINC000602575222 349623730 /nfs/dbraw/zinc/62/37/30/349623730.db2.gz PCZWCQBUXXYTBD-VXGBXAGGSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC(CC)(CO)C[NH2+]C1CCC(C#N)CC1 ZINC000602574910 349623874 /nfs/dbraw/zinc/62/38/74/349623874.db2.gz CKJLTHVEOINFKH-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cn1)C1CC1 ZINC000309727784 342814583 /nfs/dbraw/zinc/81/45/83/342814583.db2.gz YNMZSTNOUXLGNZ-CYBMUJFWSA-N 1 0 215.300 2.231 20 30 BEEDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc(C#N)o1)C1CC1 ZINC000388343572 346863876 /nfs/dbraw/zinc/86/38/76/346863876.db2.gz KVSRAUKWPCQXMN-NOZJJQNGSA-N 1 0 234.299 2.054 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000186693125 538974459 /nfs/dbraw/zinc/97/44/59/538974459.db2.gz HQIMVLLRMKTMLV-TZMCWYRMSA-N 1 0 235.302 2.340 20 30 BEEDRO N#CCC[NH2+]CCCc1ccccc1F ZINC000583990380 342830195 /nfs/dbraw/zinc/83/01/95/342830195.db2.gz XMJFVMQMJOSPCR-UHFFFAOYSA-N 1 0 206.264 2.262 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1nc(C)sc1C ZINC000381468425 539001292 /nfs/dbraw/zinc/00/12/92/539001292.db2.gz NGWFOIPJTLJZOM-KCJUWKMLSA-N 1 0 240.372 2.348 20 30 BEEDRO CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1cccc(C#N)c1 ZINC000304045641 398294350 /nfs/dbraw/zinc/29/43/50/398294350.db2.gz JOBRVIFTPHCWRS-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO CO[C@@H](C[NH2+]CCCC#N)C1CCCCC1 ZINC000602604938 349627270 /nfs/dbraw/zinc/62/72/70/349627270.db2.gz RTYFLDLCSJXYHZ-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCNC(=O)OC(C)(C)C ZINC000230660235 259323408 /nfs/dbraw/zinc/32/34/08/259323408.db2.gz GWFMOGBYFIIFFZ-NSHDSACASA-N 1 0 242.363 2.455 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1nccs1 ZINC000390140790 539019997 /nfs/dbraw/zinc/01/99/97/539019997.db2.gz OPKDUELETIHJQS-ZYHUDNBSSA-N 1 0 238.356 2.214 20 30 BEEDRO C[C@H](CCO)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449356381 398297197 /nfs/dbraw/zinc/29/71/97/398297197.db2.gz HJSSUGNYRCXPLX-AVGNSLFASA-N 1 0 224.348 2.067 20 30 BEEDRO CCC[NH+]1CCC(Nc2cc(C#N)ccn2)CC1 ZINC000042230097 361969790 /nfs/dbraw/zinc/96/97/90/361969790.db2.gz VQGYTDMYVIWDJI-UHFFFAOYSA-N 1 0 244.342 2.240 20 30 BEEDRO CO[C@H](C)C[N@H+](C)CC(C)(C)CCC#N ZINC000348846764 136242014 /nfs/dbraw/zinc/24/20/14/136242014.db2.gz GPPACIQTMRHSLS-LLVKDONJSA-N 1 0 212.337 2.283 20 30 BEEDRO C[C@H](C#N)C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000602606690 349628735 /nfs/dbraw/zinc/62/87/35/349628735.db2.gz CPMPRJMGKQHXCN-ZIAGYGMSSA-N 1 0 243.354 2.262 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CC1CCC1 ZINC000389981097 539019509 /nfs/dbraw/zinc/01/95/09/539019509.db2.gz IZJRIRAKBHHCMO-YPMHNXCESA-N 1 0 211.349 2.339 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000393966708 344006312 /nfs/dbraw/zinc/00/63/12/344006312.db2.gz MKJWCXRUBIMUKW-QJPTWQEYSA-N 1 0 210.321 2.226 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000683524946 488184870 /nfs/dbraw/zinc/18/48/70/488184870.db2.gz LKSPIONXTZCFHU-ZJUUUORDSA-N 1 0 237.265 2.198 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000602607633 349631119 /nfs/dbraw/zinc/63/11/19/349631119.db2.gz RQYZYZQGEGAALX-FRRDWIJNSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@@H](C#N)C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000602606688 349629264 /nfs/dbraw/zinc/62/92/64/349629264.db2.gz CPMPRJMGKQHXCN-UONOGXRCSA-N 1 0 243.354 2.262 20 30 BEEDRO CC[N@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000233423650 342861095 /nfs/dbraw/zinc/86/10/95/342861095.db2.gz BKJUHGQWHWTPJE-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO C=CCCCC[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000649514888 398305446 /nfs/dbraw/zinc/30/54/46/398305446.db2.gz XPRRFFKPICOICD-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccc(C#N)cc1 ZINC000417415745 398306769 /nfs/dbraw/zinc/30/67/69/398306769.db2.gz ZPXCIYXPXBLFOF-HONMWMINSA-N 1 0 230.311 2.122 20 30 BEEDRO CCC1([NH2+]Cc2ccc(C#N)o2)CCOCC1 ZINC000341719815 398311533 /nfs/dbraw/zinc/31/15/33/398311533.db2.gz WRRFJGGRMWSYQS-UHFFFAOYSA-N 1 0 234.299 2.200 20 30 BEEDRO CC[NH2+]CCCNc1nccc(C#N)c1Cl ZINC000233512294 342872008 /nfs/dbraw/zinc/87/20/08/342872008.db2.gz FCMVGBGAYXWCKL-UHFFFAOYSA-N 1 0 238.722 2.018 20 30 BEEDRO C[C@@H](CC1CCOCC1)[NH2+]CC1(C#N)CC1 ZINC000309781042 342897075 /nfs/dbraw/zinc/89/70/75/342897075.db2.gz RDQNRRFLNHGXSA-NSHDSACASA-N 1 0 222.332 2.085 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCc2ccccc2C1 ZINC000035009904 342881930 /nfs/dbraw/zinc/88/19/30/342881930.db2.gz CUSPBKCYMGVKMT-CYBMUJFWSA-N 1 0 200.285 2.047 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000602608840 349633095 /nfs/dbraw/zinc/63/30/95/349633095.db2.gz XHBPSMROQHNRQO-WCQYABFASA-N 1 0 229.327 2.078 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)cc1 ZINC000368043028 398319209 /nfs/dbraw/zinc/31/92/09/398319209.db2.gz WQCALHCUAQPSBI-INIZCTEOSA-N 1 0 241.334 2.015 20 30 BEEDRO N#Cc1ccc(C[NH2+]Cc2ccoc2)cc1 ZINC000057998309 398321202 /nfs/dbraw/zinc/32/12/02/398321202.db2.gz XVHSKFKATWNOMV-UHFFFAOYSA-N 1 0 212.252 2.441 20 30 BEEDRO CC[N@H+](CCCO)[C@@H](C)c1cccc(C#N)c1 ZINC000276113525 398313259 /nfs/dbraw/zinc/31/32/59/398313259.db2.gz XTCUTAMBLOAKHU-LBPRGKRZSA-N 1 0 232.327 2.324 20 30 BEEDRO CO[C@@H]1C[C@H]([NH2+]Cc2cccc(C#N)c2)C1(C)C ZINC000227829168 398321315 /nfs/dbraw/zinc/32/13/15/398321315.db2.gz HQTYCDIOIDZRIE-UONOGXRCSA-N 1 0 244.338 2.461 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000602610287 349633920 /nfs/dbraw/zinc/63/39/20/349633920.db2.gz SJACDZKNDRHRED-GRYCIOLGSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000602610291 349634049 /nfs/dbraw/zinc/63/40/49/349634049.db2.gz SJACDZKNDRHRED-UTUOFQBUSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)CNc1cc(N(C)C)cc[nH+]1 ZINC000602612083 349635552 /nfs/dbraw/zinc/63/55/52/349635552.db2.gz YZHPZIQQWIRQGJ-LLVKDONJSA-N 1 0 232.331 2.499 20 30 BEEDRO N#CCCN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000036904556 342912902 /nfs/dbraw/zinc/91/29/02/342912902.db2.gz YJUMOQCZZWWLOY-HNNXBMFYSA-N 1 0 243.354 2.154 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](CCO)c1ccco1 ZINC000602612508 349636819 /nfs/dbraw/zinc/63/68/19/349636819.db2.gz UBQZHRMJHMUOQL-NEPJUHHUSA-N 1 0 236.315 2.233 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000602618944 349639902 /nfs/dbraw/zinc/63/99/02/349639902.db2.gz UBSNKAFDKBCCOY-RYUDHWBXSA-N 1 0 226.364 2.313 20 30 BEEDRO C=CCCC[N@@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351619026 136247894 /nfs/dbraw/zinc/24/78/94/136247894.db2.gz IYACWDNMAVEUMW-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCCCC[NH2+]C1CCN(C)CC1 ZINC000234327877 342921420 /nfs/dbraw/zinc/92/14/20/342921420.db2.gz YLTWCQRDQJIUKH-UHFFFAOYSA-N 1 0 210.365 2.417 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)CC1(N(C)C)CCC1 ZINC000602631592 349648177 /nfs/dbraw/zinc/64/81/77/349648177.db2.gz ZWNXPGKNLMFUQN-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO N#CCC1(C[NH2+]CC2CCSCC2)CC1 ZINC000229258495 342930334 /nfs/dbraw/zinc/93/03/34/342930334.db2.gz PDHRPYUPIFYTLI-UHFFFAOYSA-N 1 0 224.373 2.413 20 30 BEEDRO CO[C@]1(C)CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602649894 349659280 /nfs/dbraw/zinc/65/92/80/349659280.db2.gz QPFXJVGLUFMQFJ-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1cnc2n1CCCC2 ZINC000602653731 349660274 /nfs/dbraw/zinc/66/02/74/349660274.db2.gz OMHMMFWLVDNXJJ-GFCCVEGCSA-N 1 0 246.358 2.249 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602654025 349661066 /nfs/dbraw/zinc/66/10/66/349661066.db2.gz SKAMZVKFRLWQCY-AGIUHOORSA-N 1 0 224.348 2.473 20 30 BEEDRO CO[C@@H](C[NH2+]CC1(C#N)CC1)Cc1ccccc1 ZINC000602642842 349655102 /nfs/dbraw/zinc/65/51/02/349655102.db2.gz OKAYGJYBVIEFRU-CQSZACIVSA-N 1 0 244.338 2.137 20 30 BEEDRO C[C@H]([NH2+]CC1(CC#N)CC1)[C@@H]1CC1(F)F ZINC000602643244 349655571 /nfs/dbraw/zinc/65/55/71/349655571.db2.gz PAWQAHRLDGUKGP-IUCAKERBSA-N 1 0 214.259 2.314 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(O)CCCC1(C)C ZINC000602675421 349668457 /nfs/dbraw/zinc/66/84/57/349668457.db2.gz KRSHDMHARVTGTQ-TZMCWYRMSA-N 1 0 238.375 2.457 20 30 BEEDRO CO[C@@](C)(C[NH2+]C[C@H](C)CCC#N)C1CC1 ZINC000602675464 349668501 /nfs/dbraw/zinc/66/85/01/349668501.db2.gz JLAWOOYCZSDSFC-YPMHNXCESA-N 1 0 224.348 2.331 20 30 BEEDRO COC1(CC[NH2+]C[C@H](C)CCC#N)CCC1 ZINC000602674998 349668525 /nfs/dbraw/zinc/66/85/25/349668525.db2.gz HRZCQCUFTKSGJK-GFCCVEGCSA-N 1 0 224.348 2.475 20 30 BEEDRO C[N@H+](CCC[C@@H]1CCO1)CC(C)(C)C#N ZINC000602676140 349669042 /nfs/dbraw/zinc/66/90/42/349669042.db2.gz SGWPIKZBWYCHBS-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1C[C@H](C)CCC#N ZINC000602676045 349669310 /nfs/dbraw/zinc/66/93/10/349669310.db2.gz BZYUDRXVIDZUGH-FRRDWIJNSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@@H](F)CC[NH2+][C@@H](C)CC1(C#N)CCOCC1 ZINC000602676588 349670005 /nfs/dbraw/zinc/67/00/05/349670005.db2.gz PPKDDNIYFSRBAI-NEPJUHHUSA-N 1 0 242.338 2.423 20 30 BEEDRO C[C@@H](F)CC[NH2+][C@H](C)CC1(C#N)CCOCC1 ZINC000602676597 349670038 /nfs/dbraw/zinc/67/00/38/349670038.db2.gz PPKDDNIYFSRBAI-VXGBXAGGSA-N 1 0 242.338 2.423 20 30 BEEDRO Cn1cc(CCC[NH2+][C@H]2CC[C@@H](CC#N)C2)cn1 ZINC000602678577 349670661 /nfs/dbraw/zinc/67/06/61/349670661.db2.gz GLLWJTMVNKDKOM-JSGCOSHPSA-N 1 0 246.358 2.025 20 30 BEEDRO CCOC(C)(C)C[NH2+]C[C@H](C)CCC#N ZINC000602630068 349665277 /nfs/dbraw/zinc/66/52/77/349665277.db2.gz SOHDIXZUNXQQDW-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO CCC[C@@]1(CO)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602671740 349666563 /nfs/dbraw/zinc/66/65/63/349666563.db2.gz VOSQPNALKBAAFT-UONOGXRCSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@H]1C[N@H+](CCCSCC#N)C[C@H]1C ZINC000074991916 398334888 /nfs/dbraw/zinc/33/48/88/398334888.db2.gz AFMYJMIJZYEHSU-PHIMTYICSA-N 1 0 212.362 2.221 20 30 BEEDRO C[C@H]1C[NH+](CCCSCC#N)C[C@H](C)S1 ZINC000074991707 398334934 /nfs/dbraw/zinc/33/49/34/398334934.db2.gz QBBURUGBOROFGV-QWRGUYRKSA-N 1 0 244.429 2.459 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000602673525 349667442 /nfs/dbraw/zinc/66/74/42/349667442.db2.gz CNOWIFAZEGWADN-UHFFFAOYSA-N 1 0 236.315 2.247 20 30 BEEDRO CC[C@H]1CN(CC)CC[N@@H+]1C[C@H](C)CCC#N ZINC000602681816 349674384 /nfs/dbraw/zinc/67/43/84/349674384.db2.gz LVCMYQDMQKVSNR-KGLIPLIRSA-N 1 0 237.391 2.342 20 30 BEEDRO CO[C@@](C)(C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000602689864 349674397 /nfs/dbraw/zinc/67/43/97/349674397.db2.gz GABJVKLVCRGZDG-ZDUSSCGKSA-N 1 0 224.348 2.331 20 30 BEEDRO CO[C@](C)(C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000602689863 349674506 /nfs/dbraw/zinc/67/45/06/349674506.db2.gz GABJVKLVCRGZDG-CYBMUJFWSA-N 1 0 224.348 2.331 20 30 BEEDRO CCOC1CC(C[NH2+][C@H]2CC[C@@H](CC#N)C2)C1 ZINC000602682973 349675399 /nfs/dbraw/zinc/67/53/99/349675399.db2.gz ZHSISWJSUICNHJ-AHPWVWPOSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(C)CC[N@@H+]1CCCN(CC(F)F)CC1 ZINC000351758723 136251647 /nfs/dbraw/zinc/25/16/47/136251647.db2.gz QDYFECZMQAVHJW-UHFFFAOYSA-N 1 0 232.318 2.225 20 30 BEEDRO CCOC1CC(C[N@H+](C[C@H](C)C#N)C2CC2)C1 ZINC000351753867 136251750 /nfs/dbraw/zinc/25/17/50/136251750.db2.gz YEMITWAEWDJQCD-LKSINWNRSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH2+]C2CCC(C#N)CC2)O1 ZINC000602688819 349679685 /nfs/dbraw/zinc/67/96/85/349679685.db2.gz AXKXTUBVUCTRCV-IKWCTNDRSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000602685203 349677045 /nfs/dbraw/zinc/67/70/45/349677045.db2.gz YWLIHMGVYCNHGZ-XQQFMLRXSA-N 1 0 224.348 2.067 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CCC#N)C12CCC2 ZINC000602687417 349678190 /nfs/dbraw/zinc/67/81/90/349678190.db2.gz MJWABXKIMNHOCA-JHJVBQTASA-N 1 0 236.359 2.473 20 30 BEEDRO Cc1ccc(CC[NH2+]C[C@@H](C)CCC#N)nc1 ZINC000602688979 349679340 /nfs/dbraw/zinc/67/93/40/349679340.db2.gz UUOOHCJFXNZXSI-LBPRGKRZSA-N 1 0 231.343 2.462 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)c1ccn(C)n1 ZINC000602687992 349678327 /nfs/dbraw/zinc/67/83/27/349678327.db2.gz UCLRCYBYCYHUDE-MNOVXSKESA-N 1 0 220.320 2.011 20 30 BEEDRO CC[C@@H](C)[NH+]1CCN(C[C@@H](C)CCC#N)CC1 ZINC000602679114 349671922 /nfs/dbraw/zinc/67/19/22/349671922.db2.gz BKEWLTCPWVBFAX-UONOGXRCSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C1(CF)CCOCC1 ZINC000602681519 349673485 /nfs/dbraw/zinc/67/34/85/349673485.db2.gz VRXBNFARTGGFNX-LLVKDONJSA-N 1 0 228.311 2.035 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000602665850 349684485 /nfs/dbraw/zinc/68/44/85/349684485.db2.gz DDUQDOXKDQWVSF-WCQYABFASA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000602667510 349684766 /nfs/dbraw/zinc/68/47/66/349684766.db2.gz QBDBRZHEITUILU-OLZOCXBDSA-N 1 0 246.358 2.149 20 30 BEEDRO CC(C)N(C)C[C@H](C)[NH2+]C1CCC(C#N)CC1 ZINC000602669208 349685583 /nfs/dbraw/zinc/68/55/83/349685583.db2.gz GQRMCLHKLYYQCS-HSBZDZAISA-N 1 0 237.391 2.387 20 30 BEEDRO CC[C@](C)(C[NH2+]CC(C)(C)CC#N)OC ZINC000602689333 349680043 /nfs/dbraw/zinc/68/00/43/349680043.db2.gz CFPUDHFEVJDVNK-GFCCVEGCSA-N 1 0 212.337 2.331 20 30 BEEDRO CC[N@H+](CCC[NH+](C)C)C[C@@H](C)CCC#N ZINC000602661544 349681326 /nfs/dbraw/zinc/68/13/26/349681326.db2.gz DYJPYDHHGGGQCL-ZDUSSCGKSA-N 1 0 225.380 2.200 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)[C@H]1CCCOC1 ZINC000602665676 349683477 /nfs/dbraw/zinc/68/34/77/349683477.db2.gz XLIRIHCGRMCRMR-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CCC[C@@]1([NH2+]C[C@H](C)CCC#N)CCOC1 ZINC000602664861 349683486 /nfs/dbraw/zinc/68/34/86/349683486.db2.gz WEOCHNNVDXZWBV-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H](CCC#N)C[N@H+](C)[C@H]1CCN(C)C[C@@H]1C ZINC000602664436 349683609 /nfs/dbraw/zinc/68/36/09/349683609.db2.gz DBVNSBIOKICVFV-RDBSUJKOSA-N 1 0 237.391 2.198 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@@H](COCC2CC2)C1 ZINC000351817543 136255071 /nfs/dbraw/zinc/25/50/71/136255071.db2.gz WOTXCQVOROCIJH-CQSZACIVSA-N 1 0 239.359 2.080 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000602692422 349690229 /nfs/dbraw/zinc/69/02/29/349690229.db2.gz HPAJOAKYGRNJAZ-YIOUJQMASA-N 1 0 236.359 2.209 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602695372 349691506 /nfs/dbraw/zinc/69/15/06/349691506.db2.gz RLKRXXTVNATYFK-YIOUJQMASA-N 1 0 234.343 2.249 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCCC1(O)CCC1 ZINC000602695599 349692423 /nfs/dbraw/zinc/69/24/23/349692423.db2.gz AZJQBHGTOLZEOT-LBPRGKRZSA-N 1 0 224.348 2.211 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000602697417 349693394 /nfs/dbraw/zinc/69/33/94/349693394.db2.gz PWKKTYKTIIXKII-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000602697306 349693427 /nfs/dbraw/zinc/69/34/27/349693427.db2.gz JUGZLIOFXHXVIL-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C[C@@H](CO)C1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602697710 349693511 /nfs/dbraw/zinc/69/35/11/349693511.db2.gz HQLIRUJHDIXGCT-STQMWFEESA-N 1 0 238.375 2.267 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)[C@@H]1CCCCO1 ZINC000602697755 349694483 /nfs/dbraw/zinc/69/44/83/349694483.db2.gz LRKSHIFANRTAHE-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO COCC1(CC[NH2+]C[C@H](C)CCC#N)CC1 ZINC000602698642 349694504 /nfs/dbraw/zinc/69/45/04/349694504.db2.gz DTYIXICRBWCHJM-GFCCVEGCSA-N 1 0 224.348 2.333 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]C2CCC(C#N)CC2)C1 ZINC000602691170 349688250 /nfs/dbraw/zinc/68/82/50/349688250.db2.gz NSCLQSCZNJKTGA-BPNZPQAUSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@@H]1C[C@@H](C[NH2+]C2CCC(C#N)CC2)[C@H](C)O1 ZINC000602691373 349688271 /nfs/dbraw/zinc/68/82/71/349688271.db2.gz SODJDEWYDNELDK-IGYKFCIQSA-N 1 0 236.359 2.472 20 30 BEEDRO COC1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602691224 349688548 /nfs/dbraw/zinc/68/85/48/349688548.db2.gz OQYAXNPCYHHXBV-HIFPTAJRSA-N 1 0 224.348 2.473 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000602692420 349688977 /nfs/dbraw/zinc/68/89/77/349688977.db2.gz HPAJOAKYGRNJAZ-GNRIBBGQSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1csnn1 ZINC000602691522 349689197 /nfs/dbraw/zinc/68/91/97/349689197.db2.gz DEPAUKWYRTUVRT-IDKOKCKLSA-N 1 0 236.344 2.271 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H]1COC(C)(C)C1 ZINC000602705830 349699806 /nfs/dbraw/zinc/69/98/06/349699806.db2.gz MSVIJIHDFDUFCC-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCN(C(C)(C)C)C1 ZINC000602707587 349700704 /nfs/dbraw/zinc/70/07/04/349700704.db2.gz NWCBSRUGABKWLW-CHWSQXEVSA-N 1 0 237.391 2.389 20 30 BEEDRO CO[C@](C)(C[N@@H+]1CCC[C@@H](CC#N)C1)C1CC1 ZINC000602708078 349701551 /nfs/dbraw/zinc/70/15/51/349701551.db2.gz YYPBHIJJSCJBRI-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)n1 ZINC000602708475 349701599 /nfs/dbraw/zinc/70/15/99/349701599.db2.gz HPWNBHPECOWEAY-FZMZJTMJSA-N 1 0 227.311 2.328 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]C[C@@H](C)CCC#N)C1 ZINC000602710240 349703472 /nfs/dbraw/zinc/70/34/72/349703472.db2.gz VYTOIFZFKRFYJY-SRVKXCTJSA-N 1 0 210.321 2.083 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]CCC1(CO)CCC1 ZINC000602711777 349704051 /nfs/dbraw/zinc/70/40/51/349704051.db2.gz LCFUJKRECBKZKE-GFCCVEGCSA-N 1 0 224.348 2.069 20 30 BEEDRO CCC[C@H](C)[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602700357 349696507 /nfs/dbraw/zinc/69/65/07/349696507.db2.gz TVRWDOVUEKVEMG-GFJIZPEISA-N 1 0 238.375 2.455 20 30 BEEDRO COCC1(C[NH2+]CC2(C#N)CCC2)CCC1 ZINC000602700955 349696984 /nfs/dbraw/zinc/69/69/84/349696984.db2.gz YEUPURVSXRVMRK-UHFFFAOYSA-N 1 0 222.332 2.087 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCS[C@H]1C ZINC000602703921 349698138 /nfs/dbraw/zinc/69/81/38/349698138.db2.gz SJZLQFFSYRHXJW-OUAUKWLOSA-N 1 0 212.362 2.410 20 30 BEEDRO C=CCC[NH2+][C@H](C)c1ccnc(OC)c1 ZINC000309072236 133454525 /nfs/dbraw/zinc/45/45/25/133454525.db2.gz FLSLXCIWLRHYKI-SNVBAGLBSA-N 1 0 206.289 2.317 20 30 BEEDRO N#Cc1cccc(C[NH2+]CC[C@H]2CC2(F)F)n1 ZINC000602714867 349705398 /nfs/dbraw/zinc/70/53/98/349705398.db2.gz JSUAFBGNYVQHAX-VIFPVBQESA-N 1 0 237.253 2.088 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)NCC1CCC1 ZINC000176306348 346908700 /nfs/dbraw/zinc/90/87/00/346908700.db2.gz KPPSTBHIWISVTK-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO C=C(CC)C[NH2+]Cc1ccc(COC)o1 ZINC000313498235 259336390 /nfs/dbraw/zinc/33/63/90/259336390.db2.gz NCTHXJSGDMAIHF-UHFFFAOYSA-N 1 0 209.289 2.482 20 30 BEEDRO C=C(CC)C[NH2+]Cc1nc(C)ccc1O ZINC000313488083 259335715 /nfs/dbraw/zinc/33/57/15/259335715.db2.gz PDMBXKYLXGNVMA-UHFFFAOYSA-N 1 0 206.289 2.151 20 30 BEEDRO CC[C@@](C)(C[N@@H+]1CC[C@@](C)(C#N)C1)OC ZINC000602717473 349707926 /nfs/dbraw/zinc/70/79/26/349707926.db2.gz GLKCRVHARJVYMD-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](C(F)F)CC1 ZINC000602738206 349707931 /nfs/dbraw/zinc/70/79/31/349707931.db2.gz ARZUQNJRDXWCPC-MNOVXSKESA-N 1 0 246.301 2.282 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000602737472 349721677 /nfs/dbraw/zinc/72/16/77/349721677.db2.gz VZJPDUGIMHFISC-WRWGMCAJSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@H]([NH2+]C1CCC(C#N)CC1)c1nccn1C ZINC000602720315 349712608 /nfs/dbraw/zinc/71/26/08/349712608.db2.gz BIMLASXUWJONJF-UNXYVOJBSA-N 1 0 232.331 2.153 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+]1[C@@H](C)C[C@@H]1C ZINC000584028111 342986204 /nfs/dbraw/zinc/98/62/04/342986204.db2.gz UOGAZHVCHDNOSN-AVGNSLFASA-N 1 0 238.375 2.282 20 30 BEEDRO CC(C)[NH2+][C@@H]1CCCN(CC2(CC#N)CC2)C1 ZINC000602793038 349735618 /nfs/dbraw/zinc/73/56/18/349735618.db2.gz VBOLIASEJDARMP-CYBMUJFWSA-N 1 0 235.375 2.143 20 30 BEEDRO N#CCC1(C[NH+]2CCC3(CCOC3)CC2)CC1 ZINC000602798612 349740070 /nfs/dbraw/zinc/74/00/70/349740070.db2.gz MDEUGGHZYOKNBO-UHFFFAOYSA-N 1 0 234.343 2.183 20 30 BEEDRO COc1ccc(C[N@H+](C)CC2(CC#N)CC2)cn1 ZINC000602799569 349740856 /nfs/dbraw/zinc/74/08/56/349740856.db2.gz IQOQBOYHLUIXRD-UHFFFAOYSA-N 1 0 245.326 2.216 20 30 BEEDRO CC(C)(C)C[N@H+](CCO)CC1(CC#N)CC1 ZINC000602775334 349728323 /nfs/dbraw/zinc/72/83/23/349728323.db2.gz HWJAGYCSKIVJMU-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO N#CC1CCC([NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000602751017 349730523 /nfs/dbraw/zinc/73/05/23/349730523.db2.gz LEOFOYVUPSFCDD-WXRRBKDZSA-N 1 0 244.342 2.390 20 30 BEEDRO N#CCC1(C[N@H+](C[C@@H]2CCOC2)C2CC2)CC1 ZINC000602763475 349733137 /nfs/dbraw/zinc/73/31/37/349733137.db2.gz ORINFIQIEOTHEO-LBPRGKRZSA-N 1 0 234.343 2.181 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)CC1(CC#N)CC1 ZINC000602764732 349734644 /nfs/dbraw/zinc/73/46/44/349734644.db2.gz HTPYHLCZMBGSSC-LBPRGKRZSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C[C@H](CO)[NH2+]C1CC(C)(c2ccccc2)C1 ZINC000297349567 342994580 /nfs/dbraw/zinc/99/45/80/342994580.db2.gz FXAQCTDERQQPRS-WLYUNCDWSA-N 1 0 231.339 2.243 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000248659136 323029711 /nfs/dbraw/zinc/02/97/11/323029711.db2.gz YNRZKAGRGOPPCQ-UMSGYPCISA-N 1 0 211.349 2.338 20 30 BEEDRO CC(C)(C)[C@@H]1C[N@H+](CC2(CC#N)CC2)CCO1 ZINC000602822561 349763079 /nfs/dbraw/zinc/76/30/79/349763079.db2.gz SDTOYGRPRWQNHT-LBPRGKRZSA-N 1 0 236.359 2.427 20 30 BEEDRO CC#CC[NH2+][C@H]1C[C@@H](OCC)C12CCCC2 ZINC000162598333 349763946 /nfs/dbraw/zinc/76/39/46/349763946.db2.gz BDWGSIBBXPFRIC-QWHCGFSZSA-N 1 0 221.344 2.337 20 30 BEEDRO CCC[NH+]1CCN(c2ccc(C#N)cc2F)CC1 ZINC000036886589 534931904 /nfs/dbraw/zinc/93/19/04/534931904.db2.gz YAWBTNKXAUDBHP-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC1(CC#N)CC1 ZINC000602830713 349767187 /nfs/dbraw/zinc/76/71/87/349767187.db2.gz VTLZFTQFNIITBG-ZIAGYGMSSA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@H]1[N@H+](CC2(CC#N)CC2)CCOC1(C)C ZINC000602782572 349748181 /nfs/dbraw/zinc/74/81/81/349748181.db2.gz DBKBRPVQAOSHOX-LLVKDONJSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC2(CC#N)CC2)C1 ZINC000602811577 349755566 /nfs/dbraw/zinc/75/55/66/349755566.db2.gz NBQLNSJPROZHMW-OCCSQVGLSA-N 1 0 236.359 2.163 20 30 BEEDRO Cc1ccccc1NC(=O)[C@H](C)N[C@H](C)CC#N ZINC000602861580 349772651 /nfs/dbraw/zinc/77/26/51/349772651.db2.gz GDTGXNMWIGJRDC-NEPJUHHUSA-N 1 0 245.326 2.214 20 30 BEEDRO CC(C)[N@H+](CC1(CC#N)CC1)[C@H]1CCOC1 ZINC000602836028 349775434 /nfs/dbraw/zinc/77/54/34/349775434.db2.gz CVUYMVFGBUNRJA-LBPRGKRZSA-N 1 0 222.332 2.180 20 30 BEEDRO CCO[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1C ZINC000602839595 349778568 /nfs/dbraw/zinc/77/85/68/349778568.db2.gz HNYYAWYDBBMGQT-STQMWFEESA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCC1(C[N@H+]2CC[C@@H](O)C23CCCC3)CC1 ZINC000602839449 349778731 /nfs/dbraw/zinc/77/87/31/349778731.db2.gz JMWCBGSIQMQECL-GFCCVEGCSA-N 1 0 234.343 2.060 20 30 BEEDRO CO[C@H]1CC[N@H+](CC2(CC#N)CC2)C[C@@H]1C ZINC000602840724 349779628 /nfs/dbraw/zinc/77/96/28/349779628.db2.gz KNDJOXWEUFIPSS-RYUDHWBXSA-N 1 0 222.332 2.037 20 30 BEEDRO N#CCC1(C[N@H+]2CCC[C@H](OC(F)F)C2)CC1 ZINC000602807913 349770607 /nfs/dbraw/zinc/77/06/07/349770607.db2.gz UVKXYSDLKDFFEB-JTQLQIEISA-N 1 0 244.285 2.384 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCN(C#N)CC)C1 ZINC000602881090 349791095 /nfs/dbraw/zinc/79/10/95/349791095.db2.gz CRIFTECGDZUMTE-ZDUSSCGKSA-N 1 0 221.348 2.077 20 30 BEEDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000602882669 349791829 /nfs/dbraw/zinc/79/18/29/349791829.db2.gz MBNHRNQXAXOPBZ-QWHCGFSZSA-N 1 0 236.359 2.163 20 30 BEEDRO C[C@H]1C[NH+](CCCC2CCC2)C[C@H](C)N1CC#N ZINC000602851901 349786175 /nfs/dbraw/zinc/78/61/75/349786175.db2.gz YCIZTKPFGCWTCV-KBPBESRZSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)N1CC#N ZINC000602854969 349787723 /nfs/dbraw/zinc/78/77/23/349787723.db2.gz FNUIIFYFNTZXFD-OKILXGFUSA-N 1 0 243.354 2.105 20 30 BEEDRO C[C@@H]1C[NH+](CC2CCCC2)C[C@@H](C)N1CC#N ZINC000602854770 349787809 /nfs/dbraw/zinc/78/78/09/349787809.db2.gz RMOYZIZFZLTOKI-CHWSQXEVSA-N 1 0 235.375 2.095 20 30 BEEDRO COCC1(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CCC1 ZINC000340443039 536820084 /nfs/dbraw/zinc/82/00/84/536820084.db2.gz GANBJXOWOBZXAH-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[NH+](CC)CCCNc1nc(C)ccc1C#N ZINC000043395410 343062753 /nfs/dbraw/zinc/06/27/53/343062753.db2.gz JZPILLOKLAOHNF-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000580034238 343066944 /nfs/dbraw/zinc/06/69/44/343066944.db2.gz HKZSQKZHVLECQY-RYUDHWBXSA-N 1 0 247.404 2.144 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000580034237 343066948 /nfs/dbraw/zinc/06/69/48/343066948.db2.gz HKZSQKZHVLECQY-NWDGAFQWSA-N 1 0 247.404 2.144 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000580034236 343067035 /nfs/dbraw/zinc/06/70/35/343067035.db2.gz HKZSQKZHVLECQY-NEPJUHHUSA-N 1 0 247.404 2.144 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1(C)C ZINC000300654918 536827423 /nfs/dbraw/zinc/82/74/23/536827423.db2.gz TYXYHUMILXSGQN-GJZGRUSLSA-N 1 0 243.350 2.441 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C1CCN(C(C)=O)CC1 ZINC000359920362 136267859 /nfs/dbraw/zinc/26/78/59/136267859.db2.gz YWXZNKPCTPOPKF-ZDUSSCGKSA-N 1 0 238.375 2.332 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000576870299 365708410 /nfs/dbraw/zinc/70/84/10/365708410.db2.gz RWQAIOYYWVVEPW-CHWSQXEVSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)COCC[NH2+][C@H](C)c1cnc(C)nc1C ZINC000090450908 343118920 /nfs/dbraw/zinc/11/89/20/343118920.db2.gz QTQGJGUTBYAIMB-LLVKDONJSA-N 1 0 249.358 2.337 20 30 BEEDRO C=CCNC(=O)C[N@@H+]1CCCC12CCCCC2 ZINC000372282609 136269363 /nfs/dbraw/zinc/26/93/63/136269363.db2.gz SBBWMKAFQOBREH-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=CCCCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000640939417 362077391 /nfs/dbraw/zinc/07/73/91/362077391.db2.gz PPHZWGGGWNQHBS-UHFFFAOYSA-N 1 0 234.347 2.101 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000305069014 136269638 /nfs/dbraw/zinc/26/96/38/136269638.db2.gz ISXWPUGLBVPXAZ-AVGNSLFASA-N 1 0 211.349 2.291 20 30 BEEDRO C=CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000305063500 136269665 /nfs/dbraw/zinc/26/96/65/136269665.db2.gz QRFHXFVKKOIBDQ-NEPJUHHUSA-N 1 0 221.300 2.354 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](CC(C)C)C1CC1 ZINC000305067982 136269671 /nfs/dbraw/zinc/26/96/71/136269671.db2.gz IJSDNDZVYCTJQG-CYBMUJFWSA-N 1 0 211.349 2.434 20 30 BEEDRO Cc1ccccc1C[N@@H+]1CCCN(CC#N)CC1 ZINC000042146244 343114151 /nfs/dbraw/zinc/11/41/51/343114151.db2.gz KVKVESNSRHNSHI-UHFFFAOYSA-N 1 0 243.354 2.026 20 30 BEEDRO CC#CCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000361589224 136268582 /nfs/dbraw/zinc/26/85/82/136268582.db2.gz UJKUSGPHPUOTEO-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000232474626 136270880 /nfs/dbraw/zinc/27/08/80/136270880.db2.gz ZYTSGZWOUOVUSK-JKSUJKDBSA-N 1 0 241.334 2.195 20 30 BEEDRO C=C(C)CN(CC)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418686451 192060663 /nfs/dbraw/zinc/06/06/63/192060663.db2.gz CKKKAMLEWOAEQY-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCOCCC#N ZINC000339009499 136271179 /nfs/dbraw/zinc/27/11/79/136271179.db2.gz KJKLAIOBHLHKMU-NEPJUHHUSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H]1C[N@H+](CCOCCC#N)C(C)(C)C1 ZINC000339011257 136271209 /nfs/dbraw/zinc/27/12/09/136271209.db2.gz RSODZLHWTHARMX-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO CCc1ccc(CN(C)[C@@H](C)CC#N)nc1 ZINC000339018878 136271356 /nfs/dbraw/zinc/27/13/56/136271356.db2.gz JPTVQNOLEKVALG-NSHDSACASA-N 1 0 217.316 2.378 20 30 BEEDRO C=CC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CC1 ZINC000569697849 323037502 /nfs/dbraw/zinc/03/75/02/323037502.db2.gz XZHAZGJIYPBJSS-WCQYABFASA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCSCC[NH2+][C@@H]1CCSC1 ZINC000129357911 343176712 /nfs/dbraw/zinc/17/67/12/343176712.db2.gz ILQSKHWYCPFZLR-SECBINFHSA-N 1 0 203.376 2.001 20 30 BEEDRO C=CC[N@@H+](C[C@H](OCC)C1CC1)C1CC1 ZINC000625281073 343219213 /nfs/dbraw/zinc/21/92/13/343219213.db2.gz INSIKHKBNLLTNM-ZDUSSCGKSA-N 1 0 209.333 2.452 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000271525411 136282406 /nfs/dbraw/zinc/28/24/06/136282406.db2.gz VRBALCQLSNRCDZ-RYUDHWBXSA-N 1 0 248.326 2.102 20 30 BEEDRO CCOc1cc(C[NH2+]CCCC#N)ccc1OC ZINC000273008889 136282998 /nfs/dbraw/zinc/28/29/98/136282998.db2.gz BOWGADMDTNYLLS-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc(C#N)s1 ZINC000273117121 136283910 /nfs/dbraw/zinc/28/39/10/136283910.db2.gz YUGUXQSEVOHGGK-UHFFFAOYSA-N 1 0 205.286 2.013 20 30 BEEDRO C[C@H](C#N)CNCc1ccc(F)cc1F ZINC000051017413 343242889 /nfs/dbraw/zinc/24/28/89/343242889.db2.gz GWDIEBLWIQOQIO-MRVPVSSYSA-N 1 0 210.227 2.214 20 30 BEEDRO Cc1ccccc1NC(=O)CC[NH2+][C@H](C)CC#N ZINC000602870464 349801660 /nfs/dbraw/zinc/80/16/60/349801660.db2.gz UFXCHBRZQBVYGS-GFCCVEGCSA-N 1 0 245.326 2.215 20 30 BEEDRO C=CCOCC[N@@H+]1CCSC(C)(C)C1 ZINC000339011935 136280271 /nfs/dbraw/zinc/28/02/71/136280271.db2.gz BOTSNTIYZQOJPV-UHFFFAOYSA-N 1 0 215.362 2.016 20 30 BEEDRO CC1(C)CCCC[N@H+](CCOCCC#N)C1 ZINC000339112721 136280282 /nfs/dbraw/zinc/28/02/82/136280282.db2.gz RWYHDETZUFZCCG-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc(C#N)c1 ZINC000343551970 343253499 /nfs/dbraw/zinc/25/34/99/343253499.db2.gz OGYSYQLZIOHHGS-DOMZBBRYSA-N 1 0 244.338 2.115 20 30 BEEDRO C[C@H]1[C@H](Nc2ccc(C#N)cc2)CCC[N@@H+]1C ZINC000343542928 343253529 /nfs/dbraw/zinc/25/35/29/343253529.db2.gz SPBREVQAPXFWBO-SMDDNHRTSA-N 1 0 229.327 2.453 20 30 BEEDRO C=CCCCCCn1cc([C@H]([NH3+])CC)nn1 ZINC000641047228 362154870 /nfs/dbraw/zinc/15/48/70/362154870.db2.gz SFZVTASSIFRRKV-LLVKDONJSA-N 1 0 222.336 2.434 20 30 BEEDRO CC(C)[C@@](C)(C[NH3+])NCc1ccc(C#N)cc1 ZINC000343748692 343287233 /nfs/dbraw/zinc/28/72/33/343287233.db2.gz VYHRWPSZTFSXGC-CQSZACIVSA-N 1 0 231.343 2.021 20 30 BEEDRO C=CCC[C@H]([NH2+]CCc1cnn(C)c1)C1CC1 ZINC000120368610 136292515 /nfs/dbraw/zinc/29/25/15/136292515.db2.gz AGORHQZCFFBENJ-AWEZNQCLSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cnn(C)c1)C1CC1 ZINC000120436084 136292536 /nfs/dbraw/zinc/29/25/36/136292536.db2.gz ZRBXPAGFKQCZHJ-ZDUSSCGKSA-N 1 0 219.332 2.255 20 30 BEEDRO C[C@H](CCn1cccn1)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000295120360 136290257 /nfs/dbraw/zinc/29/02/57/136290257.db2.gz WLMIFXCLCKTEEO-RDBSUJKOSA-N 1 0 246.358 2.334 20 30 BEEDRO N#Cc1cccc(CC[NH2+]CC[C@@H]2CCOC2)c1 ZINC000343658685 343262943 /nfs/dbraw/zinc/26/29/43/343262943.db2.gz NFKIYZPIOYTRCF-CQSZACIVSA-N 1 0 244.338 2.117 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296427603 136290794 /nfs/dbraw/zinc/29/07/94/136290794.db2.gz LWPSQKGDFMZMBO-LLVKDONJSA-N 1 0 216.284 2.273 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)c2ccccc2)C1 ZINC000274584970 136285321 /nfs/dbraw/zinc/28/53/21/136285321.db2.gz DHQIBWUMXPWFKD-MRVWCRGKSA-N 1 0 230.311 2.002 20 30 BEEDRO C=CCCCCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641043492 362153647 /nfs/dbraw/zinc/15/36/47/362153647.db2.gz CJXYSPAVNRDCKU-CYBMUJFWSA-N 1 0 248.374 2.177 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccccc1OC ZINC000070190930 343309129 /nfs/dbraw/zinc/30/91/29/343309129.db2.gz WFYOZZFSHDDBTH-NSHDSACASA-N 1 0 203.285 2.369 20 30 BEEDRO C=CCOc1ccccc1C[N@H+](CC)C[C@H](C)O ZINC000348742886 136295705 /nfs/dbraw/zinc/29/57/05/136295705.db2.gz WKUMGLJARWULOZ-ZDUSSCGKSA-N 1 0 249.354 2.454 20 30 BEEDRO CC[N@H+]1[C@H](C)CN([C@@H](C)CCC#N)C[C@@H]1C ZINC000602874566 349805495 /nfs/dbraw/zinc/80/54/95/349805495.db2.gz QFMFNXIASQRMTO-RWMBFGLXSA-N 1 0 223.364 2.093 20 30 BEEDRO C[C@H]1[N@H+](CCCC#N)CCC12CCOCC2 ZINC000335673965 136317910 /nfs/dbraw/zinc/31/79/10/136317910.db2.gz KYCXWRARHYQMCB-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C=C(C)CCn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641069053 362180796 /nfs/dbraw/zinc/18/07/96/362180796.db2.gz CQYKFAKOMNXGDI-LLVKDONJSA-N 1 0 222.336 2.290 20 30 BEEDRO C=C(C)CCn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641068979 362181066 /nfs/dbraw/zinc/18/10/66/362181066.db2.gz ADDUMCRYORSENA-UHFFFAOYSA-N 1 0 248.374 2.273 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000348999392 136314771 /nfs/dbraw/zinc/31/47/71/136314771.db2.gz CTMVKVOETIMHPI-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000335661461 136315006 /nfs/dbraw/zinc/31/50/06/136315006.db2.gz HSDWRJMIUXAZKK-ILWJIGKKSA-N 1 0 202.257 2.039 20 30 BEEDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(C#N)cc2)CCCN1C ZINC000344330451 343397009 /nfs/dbraw/zinc/39/70/09/343397009.db2.gz VBOIDQSNMJLYOL-WFASDCNBSA-N 1 0 243.354 2.131 20 30 BEEDRO C#CCC[N@@H+](C)Cc1ccc(OC)cc1OC ZINC000299222321 343398575 /nfs/dbraw/zinc/39/85/75/343398575.db2.gz LPJYHFDSYFILIW-UHFFFAOYSA-N 1 0 233.311 2.159 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CCC)[C@@H]1CC1(C)C ZINC000397819450 262935445 /nfs/dbraw/zinc/93/54/45/262935445.db2.gz PTBZRXPCDCMEQJ-NWDGAFQWSA-N 1 0 238.375 2.093 20 30 BEEDRO Cc1cc(C[N@@H+]2CCCOCC2)ccc1C#N ZINC000335724480 136346803 /nfs/dbraw/zinc/34/68/03/136346803.db2.gz XLDGSCWCRYOFMM-UHFFFAOYSA-N 1 0 230.311 2.089 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)CCN1CCOCC1 ZINC000349490572 136352157 /nfs/dbraw/zinc/35/21/57/136352157.db2.gz BZMFFXIQTDKTAP-UONOGXRCSA-N 1 0 240.391 2.042 20 30 BEEDRO C=C(C)CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000335704772 136335389 /nfs/dbraw/zinc/33/53/89/136335389.db2.gz RKXQSIXTDGQMQT-NEPJUHHUSA-N 1 0 227.373 2.159 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000349349386 136342658 /nfs/dbraw/zinc/34/26/58/136342658.db2.gz AQFKRUPXMIPASG-WZRBSPASSA-N 1 0 228.295 2.402 20 30 BEEDRO CC1=C[C@@H](C)C[C@@H](C[NH+]2CCN(CC#N)CC2)C1 ZINC000335878982 136356591 /nfs/dbraw/zinc/35/65/91/136356591.db2.gz CYXKAXWUGAQTSL-UKRRQHHQSA-N 1 0 247.386 2.120 20 30 BEEDRO C=C(C)C[N@H+](C)CC[S@@](=O)c1ccccc1 ZINC000351064288 136367196 /nfs/dbraw/zinc/36/71/96/136367196.db2.gz NZRYLNHCNIKRRC-MRXNPFEDSA-N 1 0 237.368 2.302 20 30 BEEDRO N#CCC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000259634258 136374186 /nfs/dbraw/zinc/37/41/86/136374186.db2.gz AOBDVWATDSAWAW-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)c1cccnc1 ZINC000274561545 136375365 /nfs/dbraw/zinc/37/53/65/136375365.db2.gz YUNXWVVRZZZICL-GVXVVHGQSA-N 1 0 215.300 2.424 20 30 BEEDRO C=CCCCCNC(=[NH2+])NC1CCCC1 ZINC000274545046 136375386 /nfs/dbraw/zinc/37/53/86/136375386.db2.gz VENYFIDEWVXZEA-UHFFFAOYSA-N 1 0 209.337 2.190 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000289878760 136375551 /nfs/dbraw/zinc/37/55/51/136375551.db2.gz POTVRYFMCYQSKT-SECBINFHSA-N 1 0 229.682 2.116 20 30 BEEDRO C#C[C@H](NCc1ncc(C)s1)C(C)C ZINC000296651156 136375936 /nfs/dbraw/zinc/37/59/36/136375936.db2.gz DDZDDYXCESLQPQ-JTQLQIEISA-N 1 0 208.330 2.199 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)c1cc(C)ccn1 ZINC000393620564 259363084 /nfs/dbraw/zinc/36/30/84/259363084.db2.gz FIHPIDCJBRVFEM-NWDGAFQWSA-N 1 0 202.301 2.452 20 30 BEEDRO C=CC[NH2+]CCN1CC[C@@H](c2ccccc2)C1 ZINC000053386749 1172029131 /nfs/dbraw/zinc/02/91/31/1172029131.db2.gz MXFGOUQYXHXBNR-OAHLLOKOSA-N 1 0 230.355 2.252 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000379977443 365773947 /nfs/dbraw/zinc/77/39/47/365773947.db2.gz FERAWJUYLAVFBT-NEPJUHHUSA-N 1 0 204.317 2.458 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]CC(C)(C)CCC#N)O1 ZINC000398158007 262943327 /nfs/dbraw/zinc/94/33/27/262943327.db2.gz JKVLNUVGOMELHL-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1COC1 ZINC000624236257 343580684 /nfs/dbraw/zinc/58/06/84/343580684.db2.gz ZUPIEUYHHINCRB-CHWSQXEVSA-N 1 0 209.333 2.357 20 30 BEEDRO CCn1nc(C)c(CN(C)CC2(C#N)CC2)c1C ZINC000602925955 349820610 /nfs/dbraw/zinc/82/06/10/349820610.db2.gz MBJBWRKAFQRKBE-UHFFFAOYSA-N 1 0 246.358 2.255 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cc(C)ccc1OC ZINC000019875630 166191791 /nfs/dbraw/zinc/19/17/91/166191791.db2.gz OOIVXTXTYVGSCO-LLVKDONJSA-N 1 0 203.285 2.287 20 30 BEEDRO N#Cc1ccc(C[NH2+]CCCF)c(F)c1 ZINC000379810867 343630391 /nfs/dbraw/zinc/63/03/91/343630391.db2.gz AEMQSQHJWXXZEJ-UHFFFAOYSA-N 1 0 210.227 2.147 20 30 BEEDRO C[N@H+](CCC[C@@H]1CCOC1)[C@@H]1CCC[C@H]1C#N ZINC000602981779 349832581 /nfs/dbraw/zinc/83/25/81/349832581.db2.gz JMZMKAUDCPIHGN-HZSPNIEDSA-N 1 0 236.359 2.427 20 30 BEEDRO CO[C@H](C[N@H+](C)[C@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000602982728 349834777 /nfs/dbraw/zinc/83/47/77/349834777.db2.gz XJVQTIYPFWLDFS-HZSPNIEDSA-N 1 0 236.359 2.426 20 30 BEEDRO N#CCC1(C[N@@H+]2CCCSCC2)CC1 ZINC000083862331 343679754 /nfs/dbraw/zinc/67/97/54/343679754.db2.gz SMODIKZGFKPEKB-UHFFFAOYSA-N 1 0 210.346 2.119 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000602981576 349832022 /nfs/dbraw/zinc/83/20/22/349832022.db2.gz GJFHFKHLCCMZKF-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@H]1CCC[C@@H]1C#N ZINC000602978528 349843418 /nfs/dbraw/zinc/84/34/18/349843418.db2.gz SDCCGGSAULEXHK-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO CO[C@H](C[N@H+](C)[C@H]1CCC[C@H]1C#N)C1CCC1 ZINC000602982729 349835400 /nfs/dbraw/zinc/83/54/00/349835400.db2.gz XJVQTIYPFWLDFS-MELADBBJSA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CCOCCC#N)C1 ZINC000339121512 343695326 /nfs/dbraw/zinc/69/53/26/343695326.db2.gz YTRPTRBLFXUKAP-AGIUHOORSA-N 1 0 224.348 2.283 20 30 BEEDRO CCCC[C@H](COC)[NH2+]CC1(C#N)CC1 ZINC000308969118 259368416 /nfs/dbraw/zinc/36/84/16/259368416.db2.gz XWLLLANSXRRADT-LLVKDONJSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)ccc1OC ZINC000320255129 192064400 /nfs/dbraw/zinc/06/44/00/192064400.db2.gz IYEROPAOBATSJY-CYBMUJFWSA-N 1 0 235.327 2.030 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H]1C ZINC000584180688 343770419 /nfs/dbraw/zinc/77/04/19/343770419.db2.gz ZZUBUUJYBKNGPR-PHIMTYICSA-N 1 0 215.300 2.041 20 30 BEEDRO C[C@H]1SCCN(Cc2cccc(C#N)n2)[C@H]1C ZINC000602473957 343761864 /nfs/dbraw/zinc/76/18/64/343761864.db2.gz MWBGDOPDSSVYCR-WDEREUQCSA-N 1 0 247.367 2.279 20 30 BEEDRO C=CCCCC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000584153508 343766172 /nfs/dbraw/zinc/76/61/72/343766172.db2.gz FAGRMEJRECPJFO-NSHDSACASA-N 1 0 213.321 2.084 20 30 BEEDRO C=C(C)C[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000336667756 537816059 /nfs/dbraw/zinc/81/60/59/537816059.db2.gz QJNPOXBNHSCSFH-UHFFFAOYSA-N 1 0 233.237 2.111 20 30 BEEDRO N#CCN(C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000393295928 343793183 /nfs/dbraw/zinc/79/31/83/343793183.db2.gz UULASHAFLVSSPI-TZMCWYRMSA-N 1 0 236.359 2.306 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000447531232 201721297 /nfs/dbraw/zinc/72/12/97/201721297.db2.gz QKACYLVFIHLANZ-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2nnc(C)n2C2CC2)C1 ZINC000625699596 344039039 /nfs/dbraw/zinc/03/90/39/344039039.db2.gz ATTJIWFCLJOTAQ-LBPRGKRZSA-N 1 0 246.358 2.319 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)CC(F)(F)F)C1 ZINC000625701254 344041486 /nfs/dbraw/zinc/04/14/86/344041486.db2.gz IALJRTRISCKUDI-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCOC1 ZINC000334296750 343855096 /nfs/dbraw/zinc/85/50/96/343855096.db2.gz ZSURMMJSLLYUSZ-ZFWWWQNUSA-N 1 0 242.322 2.314 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000447531234 201722243 /nfs/dbraw/zinc/72/22/43/201722243.db2.gz QKACYLVFIHLANZ-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)CCOC(C)C)C1 ZINC000625700966 344041211 /nfs/dbraw/zinc/04/12/11/344041211.db2.gz FZGBTXIENWOBSN-KGLIPLIRSA-N 1 0 241.375 2.060 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cc(C)ncn2)C1 ZINC000625700983 344041221 /nfs/dbraw/zinc/04/12/21/344041221.db2.gz FZWKRFPHVFMMGN-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](OCC)C1CC1 ZINC000625460493 343863515 /nfs/dbraw/zinc/86/35/15/343863515.db2.gz OSTMENLQCFLNJQ-HZSPNIEDSA-N 1 0 239.359 2.125 20 30 BEEDRO N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCOC1 ZINC000334296748 343868340 /nfs/dbraw/zinc/86/83/40/343868340.db2.gz ZSURMMJSLLYUSZ-HIFRSBDPSA-N 1 0 242.322 2.314 20 30 BEEDRO C[C@@H]1[C@@H](C)CCN1Cc1nc(C#N)cs1 ZINC000334383671 343875582 /nfs/dbraw/zinc/87/55/82/343875582.db2.gz LDFYFIRPUVPXGF-DTWKUNHWSA-N 1 0 221.329 2.245 20 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C=CC[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC000625702042 344052310 /nfs/dbraw/zinc/05/23/10/344052310.db2.gz MPFLCBCWVPFMDK-HOTGVXAUSA-N 1 0 245.366 2.488 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](CC(=O)N(CC=C)CC=C)C1 ZINC000625701592 344052514 /nfs/dbraw/zinc/05/25/14/344052514.db2.gz AFZPVMGTBKCFRE-CQSZACIVSA-N 1 0 248.370 2.085 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(C)nc2)C1 ZINC000625701775 344052951 /nfs/dbraw/zinc/05/29/51/344052951.db2.gz AQDUAWLKPIGCQF-GFCCVEGCSA-N 1 0 217.316 2.183 20 30 BEEDRO CC[C@@](C)([NH3+])c1cn(CCCC(C)(C)C#N)nn1 ZINC000603259908 349902033 /nfs/dbraw/zinc/90/20/33/349902033.db2.gz LOTNDMXBDSTKLN-CYBMUJFWSA-N 1 0 249.362 2.192 20 30 BEEDRO C=C(C)C[NH2+][C@@]1(CO)CCCC(C)(C)C1 ZINC000625835018 344088979 /nfs/dbraw/zinc/08/89/79/344088979.db2.gz RIJFVDULHMUVAF-ZDUSSCGKSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCOCC[NH2+][C@]1(CO)CCCC(C)(C)C1 ZINC000625837520 344089954 /nfs/dbraw/zinc/08/99/54/344089954.db2.gz SXFQBVDXMNAODC-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C#CCSCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000219225280 166202677 /nfs/dbraw/zinc/20/26/77/166202677.db2.gz GPIWVASHSBVBKT-UHFFFAOYSA-N 1 0 249.379 2.460 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1cc(C)on1 ZINC000289527478 166202716 /nfs/dbraw/zinc/20/27/16/166202716.db2.gz AAFVFXLLQZMQGQ-JTQLQIEISA-N 1 0 224.329 2.000 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCO[C@@H](C(F)F)CC1 ZINC000634757481 344220893 /nfs/dbraw/zinc/22/08/93/344220893.db2.gz SWSHTVFFKFGSRO-WDEREUQCSA-N 1 0 231.286 2.144 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000130437655 344221464 /nfs/dbraw/zinc/22/14/64/344221464.db2.gz JYUZCJRVFOUJAT-SNVBAGLBSA-N 1 0 207.321 2.302 20 30 BEEDRO C=C(C)COCCNc1cc(C)cc[nH+]1 ZINC000131350390 344231454 /nfs/dbraw/zinc/23/14/54/344231454.db2.gz PIEWZAGZNPHUBG-UHFFFAOYSA-N 1 0 206.289 2.395 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000126850801 344184793 /nfs/dbraw/zinc/18/47/93/344184793.db2.gz WGXGNVMRUGHCRY-YNEHKIRRSA-N 1 0 210.365 2.413 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CC[C@@H]1CCCCO1 ZINC000224001293 344253610 /nfs/dbraw/zinc/25/36/10/344253610.db2.gz YQOXGTRAZMJOQE-NEPJUHHUSA-N 1 0 210.321 2.227 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000290392102 344275253 /nfs/dbraw/zinc/27/52/53/344275253.db2.gz ORQFEPUUCQDFOL-DTWKUNHWSA-N 1 0 226.345 2.251 20 30 BEEDRO CCCC[N@@H+](CC#Cc1ccc(F)cc1)CCO ZINC000158462254 344279014 /nfs/dbraw/zinc/27/90/14/344279014.db2.gz SDTDQXIADFIPPR-UHFFFAOYSA-N 1 0 249.329 2.272 20 30 BEEDRO Cc1cc(C[NH2+]CCCC#N)cc(C)c1O ZINC000290417124 344282664 /nfs/dbraw/zinc/28/26/64/344282664.db2.gz QPAXZUHGCSAFSG-UHFFFAOYSA-N 1 0 218.300 2.402 20 30 BEEDRO C=C(C[NH2+][C@H](C)COC)c1ccccc1 ZINC000132312532 344298812 /nfs/dbraw/zinc/29/88/12/344298812.db2.gz SKHPHTMNOUKJHS-GFCCVEGCSA-N 1 0 205.301 2.324 20 30 BEEDRO C[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600733587 344364537 /nfs/dbraw/zinc/36/45/37/344364537.db2.gz ALARUFDAZYADEX-FRRDWIJNSA-N 1 0 236.359 2.067 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600732053 344364575 /nfs/dbraw/zinc/36/45/75/344364575.db2.gz PRDZXEVDJGWNEZ-CHWSQXEVSA-N 1 0 236.359 2.376 20 30 BEEDRO CC(C)C1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600732418 344364660 /nfs/dbraw/zinc/36/46/60/344364660.db2.gz ZFLJNUDKTMRHNC-LBPRGKRZSA-N 1 0 236.359 2.067 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000093235389 344313208 /nfs/dbraw/zinc/31/32/08/344313208.db2.gz IAQHOAURYWAMKX-GXTWGEPZSA-N 1 0 234.343 2.402 20 30 BEEDRO CCC[C@H](C[NH2+]C[C@@H](C#N)CCC#N)OCC ZINC000600604275 344338874 /nfs/dbraw/zinc/33/88/74/344338874.db2.gz FHNQUMSDTCZVCG-CHWSQXEVSA-N 1 0 237.347 2.225 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2C[C@H]2C2CCC2)CC1 ZINC000600739122 344366653 /nfs/dbraw/zinc/36/66/53/344366653.db2.gz MUDBMRWWDOPPOW-IHRRRGAJSA-N 1 0 248.370 2.067 20 30 BEEDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C#N)s1 ZINC000570812468 323071095 /nfs/dbraw/zinc/07/10/95/323071095.db2.gz ANPGRMFOEBLUPO-SNVBAGLBSA-N 1 0 238.356 2.213 20 30 BEEDRO C[C@H]1CC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CN1 ZINC000600710616 344360727 /nfs/dbraw/zinc/36/07/27/344360727.db2.gz POHMDJVCYVCGCQ-AHPWVWPOSA-N 1 0 235.375 2.189 20 30 BEEDRO CC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CCCC1 ZINC000600719553 344362569 /nfs/dbraw/zinc/36/25/69/344362569.db2.gz CBQGZQYMCNTCRW-LBPRGKRZSA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000181254952 259375373 /nfs/dbraw/zinc/37/53/73/259375373.db2.gz CKSAPJRSTCPRSV-UHFFFAOYSA-N 1 0 228.336 2.019 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000381429412 344505535 /nfs/dbraw/zinc/50/55/35/344505535.db2.gz BCOXWSQBRPMBSJ-TUAOUCFPSA-N 1 0 225.332 2.272 20 30 BEEDRO CC[C@@H](C)[C@@H](C[NH2+]CCCCC#N)OC ZINC000381320795 344495501 /nfs/dbraw/zinc/49/55/01/344495501.db2.gz WIBYJWXSLCCZLP-VXGBXAGGSA-N 1 0 212.337 2.331 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]CCCCC#N)OC ZINC000381320792 344495525 /nfs/dbraw/zinc/49/55/25/344495525.db2.gz WIBYJWXSLCCZLP-NWDGAFQWSA-N 1 0 212.337 2.331 20 30 BEEDRO Cc1ncccc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381373024 344498875 /nfs/dbraw/zinc/49/88/75/344498875.db2.gz IYABJGJKGLYADH-DGCLKSJQSA-N 1 0 215.300 2.172 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000381573503 344521939 /nfs/dbraw/zinc/52/19/39/344521939.db2.gz YOMCVUAKPYCDJG-NWDGAFQWSA-N 1 0 216.284 2.174 20 30 BEEDRO CCOC[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000119707407 344522630 /nfs/dbraw/zinc/52/26/30/344522630.db2.gz DHWLQCSJDHWKGJ-LBPRGKRZSA-N 1 0 224.348 2.285 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000119707244 344522930 /nfs/dbraw/zinc/52/29/30/344522930.db2.gz DHWLQCSJDHWKGJ-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)(C)C[N@@H+](CCC#N)CCCCO ZINC000109812424 344535261 /nfs/dbraw/zinc/53/52/61/344535261.db2.gz LBSZUIHUBNJYBN-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO CC#CC[N@H+](C)[C@H]1CCc2ccccc2C1 ZINC000120079617 344539090 /nfs/dbraw/zinc/53/90/90/344539090.db2.gz KNLBAWFHJUUHHY-HNNXBMFYSA-N 1 0 213.324 2.499 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000387514219 344553520 /nfs/dbraw/zinc/55/35/20/344553520.db2.gz ZCIBLFFNZKMHQE-NEPJUHHUSA-N 1 0 208.349 2.167 20 30 BEEDRO N#Cc1cc(Cl)cc(OC[C@H]2CC[NH2+]C2)c1 ZINC000309446437 347065209 /nfs/dbraw/zinc/06/52/09/347065209.db2.gz POZXKYWOPXSSIG-VIFPVBQESA-N 1 0 236.702 2.200 20 30 BEEDRO C=C(C)CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626015441 344671326 /nfs/dbraw/zinc/67/13/26/344671326.db2.gz VWFUKPPZJHLIND-QWHCGFSZSA-N 1 0 209.333 2.047 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626013401 344672214 /nfs/dbraw/zinc/67/22/14/344672214.db2.gz HYBAFEUFUUBNHK-QWHCGFSZSA-N 1 0 209.333 2.047 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H](C)CO ZINC000339634563 344672975 /nfs/dbraw/zinc/67/29/75/344672975.db2.gz ZGIHZGDUFNXYDG-GFCCVEGCSA-N 1 0 232.327 2.069 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@@H](C)CO ZINC000339634564 344673099 /nfs/dbraw/zinc/67/30/99/344673099.db2.gz ZGIHZGDUFNXYDG-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(n2ccnc2)CC1 ZINC000119901948 344673842 /nfs/dbraw/zinc/67/38/42/344673842.db2.gz CJYMRKLJZLZWFS-UHFFFAOYSA-N 1 0 246.358 2.460 20 30 BEEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(C)(C)C#N ZINC000119850426 344631586 /nfs/dbraw/zinc/63/15/86/344631586.db2.gz NWFPBOVGJHAXGR-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(Cl)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000153027402 344734465 /nfs/dbraw/zinc/73/44/65/344734465.db2.gz MTKYHJYOEODENI-GHMZBOCLSA-N 1 0 215.724 2.240 20 30 BEEDRO C[C@@H](CCOCc1ccccc1)[NH2+]CCC#N ZINC000307013827 344683422 /nfs/dbraw/zinc/68/34/22/344683422.db2.gz MEFFXQQSGOJVFR-ZDUSSCGKSA-N 1 0 232.327 2.485 20 30 BEEDRO C=CCCC[C@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046115 344695415 /nfs/dbraw/zinc/69/54/15/344695415.db2.gz QJHXFMOTQHKICF-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](CCc2cscn2)C1 ZINC000259901198 344701197 /nfs/dbraw/zinc/70/11/97/344701197.db2.gz FSDBVNGVWAVAKW-LLVKDONJSA-N 1 0 235.356 2.311 20 30 BEEDRO Cc1noc(C)c1CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000260116586 344710407 /nfs/dbraw/zinc/71/04/07/344710407.db2.gz QPMVEPBAYIYMAC-CYBMUJFWSA-N 1 0 247.342 2.460 20 30 BEEDRO COCC(C)(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309488312 347074202 /nfs/dbraw/zinc/07/42/02/347074202.db2.gz WEXLKCCLVJADHM-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C#CCC[N@@H+]1CCO[C@H](C2CCCCC2)C1 ZINC000363806216 347075708 /nfs/dbraw/zinc/07/57/08/347075708.db2.gz PFFDKIBXFBCNHS-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C[C@H](O)CC[N@H+](C)[C@@H](C)c1ccc(C#N)cc1 ZINC000075776309 344791712 /nfs/dbraw/zinc/79/17/12/344791712.db2.gz LVDJRPAWHACXSV-RYUDHWBXSA-N 1 0 232.327 2.322 20 30 BEEDRO CNC(=[NH2+])NCc1ccc(OC2CCCC2)cc1 ZINC000076105665 344794571 /nfs/dbraw/zinc/79/45/71/344794571.db2.gz LIKSHQXCXBIPQV-UHFFFAOYSA-N 1 0 247.342 2.042 20 30 BEEDRO C=C(CC)C[N@@H+]1CCO[C@@H]2CC[C@H](OC)C[C@@H]21 ZINC000358867349 344804936 /nfs/dbraw/zinc/80/49/36/344804936.db2.gz DLVAJMUAFOYTBD-MELADBBJSA-N 1 0 239.359 2.221 20 30 BEEDRO N#Cc1ccc(CNCCC[NH+]2CCCC2)s1 ZINC000135672669 344841599 /nfs/dbraw/zinc/84/15/99/344841599.db2.gz HXCZAMSWRDVGLR-UHFFFAOYSA-N 1 0 249.383 2.195 20 30 BEEDRO CC#CC[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000119748930 344862262 /nfs/dbraw/zinc/86/22/62/344862262.db2.gz CLDDZLVIHCDSKY-UHFFFAOYSA-N 1 0 216.328 2.208 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccc(C)cn1 ZINC000120871265 344903095 /nfs/dbraw/zinc/90/30/95/344903095.db2.gz BWRLLDVIBFBOKD-UHFFFAOYSA-N 1 0 220.316 2.072 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cccc(C#N)c1F ZINC000235449147 344915600 /nfs/dbraw/zinc/91/56/00/344915600.db2.gz YJJAGPXOAIXQKJ-IINYFYTJSA-N 1 0 248.301 2.354 20 30 BEEDRO N#CCCC[N@H+](Cc1ccncc1)C1CC1 ZINC000122337843 344955938 /nfs/dbraw/zinc/95/59/38/344955938.db2.gz IFWRTIUDUXVZLX-UHFFFAOYSA-N 1 0 215.300 2.350 20 30 BEEDRO C[C@H]1OCC[C@]1(C)[NH2+]Cc1cccc(C#N)c1F ZINC000235653455 344970942 /nfs/dbraw/zinc/97/09/42/344970942.db2.gz YJJAGPXOAIXQKJ-YGRLFVJLSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252881859 534984411 /nfs/dbraw/zinc/98/44/11/534984411.db2.gz TYFGQBYPIWRKDR-AVGNSLFASA-N 1 0 236.359 2.019 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(C#N)cn1 ZINC000044317501 345020628 /nfs/dbraw/zinc/02/06/28/345020628.db2.gz OPNKKSQQZLIXOH-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO N#CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1 ZINC000124312494 345037019 /nfs/dbraw/zinc/03/70/19/345037019.db2.gz CYSPZRJDMBHDHN-CQSZACIVSA-N 1 0 214.312 2.465 20 30 BEEDRO CC[NH+]1CCC(CNc2ncccc2C#N)CC1 ZINC000044411728 345058437 /nfs/dbraw/zinc/05/84/37/345058437.db2.gz HOTGUQQQPQRGIO-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(n2cccn2)CC1 ZINC000371205801 534986620 /nfs/dbraw/zinc/98/66/20/534986620.db2.gz BRZFECNJXPAHLC-UHFFFAOYSA-N 1 0 246.358 2.460 20 30 BEEDRO C=CCN(CC12CC(C1)C[NH2+]2)c1ccccc1 ZINC000634994122 345192670 /nfs/dbraw/zinc/19/26/70/345192670.db2.gz RHYIXBHWOYRQKY-UHFFFAOYSA-N 1 0 228.339 2.431 20 30 BEEDRO CC#CCC[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000158334517 345315209 /nfs/dbraw/zinc/31/52/09/345315209.db2.gz VQXUNHGHZGFCMQ-UHFFFAOYSA-N 1 0 243.310 2.481 20 30 BEEDRO CC#CCC[NH2+]Cc1ccccc1NC(C)=O ZINC000158353014 345315667 /nfs/dbraw/zinc/31/56/67/345315667.db2.gz IOZJDMDYTUPTJU-UHFFFAOYSA-N 1 0 230.311 2.148 20 30 BEEDRO C[C@H]1CC(C)(C)C[C@](CO)([NH2+]CCC#N)C1 ZINC000408466493 345315743 /nfs/dbraw/zinc/31/57/43/345315743.db2.gz LMLXPZWKPXKUKT-WCQYABFASA-N 1 0 224.348 2.067 20 30 BEEDRO CC#CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000158335151 345321608 /nfs/dbraw/zinc/32/16/08/345321608.db2.gz HEGXWHOLPPWBOB-UHFFFAOYSA-N 1 0 248.292 2.016 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1COCCO1 ZINC000449093325 201806612 /nfs/dbraw/zinc/80/66/12/201806612.db2.gz VNFFJGLNBMNGIL-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO COCC(C)(C)[NH2+]CC#Cc1ccc(F)cc1 ZINC000158192907 345300785 /nfs/dbraw/zinc/30/07/85/345300785.db2.gz IJCCNRCTJGUQKX-UHFFFAOYSA-N 1 0 235.302 2.192 20 30 BEEDRO CCCNC(=[NH2+])NCc1ccc(Cl)c(C)c1 ZINC000273497322 133545603 /nfs/dbraw/zinc/54/56/03/133545603.db2.gz OMVKKCRRMFJHBG-UHFFFAOYSA-N 1 0 239.750 2.463 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@@H]1CCOC1 ZINC000158492751 345340302 /nfs/dbraw/zinc/34/03/02/345340302.db2.gz FMHRZVAHMSEKST-VXGBXAGGSA-N 1 0 224.348 2.331 20 30 BEEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC#N)CC1 ZINC000158912113 345387964 /nfs/dbraw/zinc/38/79/64/345387964.db2.gz JVDBICQVQQYIOC-AWEZNQCLSA-N 1 0 249.402 2.486 20 30 BEEDRO COC[C@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C(C)C ZINC000381748779 345351640 /nfs/dbraw/zinc/35/16/40/345351640.db2.gz QPCWRYYWKSMCRG-AVGNSLFASA-N 1 0 224.348 2.329 20 30 BEEDRO CC(C)C(N)=[NH+]OCCCOc1ccccc1 ZINC000133628362 345380751 /nfs/dbraw/zinc/38/07/51/345380751.db2.gz ZLYBXAQBVPEOLT-UHFFFAOYSA-N 1 0 236.315 2.400 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H](C)c1nnc2n1CCC2 ZINC000228677636 345382419 /nfs/dbraw/zinc/38/24/19/345382419.db2.gz WMAIFINOHLPJAH-WDEREUQCSA-N 1 0 234.347 2.230 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cnc(Cl)s1 ZINC000133664577 345382451 /nfs/dbraw/zinc/38/24/51/345382451.db2.gz KREMLLOHUSJKAB-UHFFFAOYSA-N 1 0 233.724 2.241 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCCn1ccnc1 ZINC000135123341 345432649 /nfs/dbraw/zinc/43/26/49/345432649.db2.gz SFDYTPXFHXTNJI-UHFFFAOYSA-N 1 0 234.347 2.193 20 30 BEEDRO C=C(C[NH2+][C@@H]1CCO[C@H]1C)c1ccccc1 ZINC000134022316 345395294 /nfs/dbraw/zinc/39/52/94/345395294.db2.gz ZVSFTOXZXVDJQT-GXTWGEPZSA-N 1 0 217.312 2.467 20 30 BEEDRO Cc1cc(C)n(CCN(CCC#N)CC2CC2)n1 ZINC000081044707 345459648 /nfs/dbraw/zinc/45/96/48/345459648.db2.gz ZSGYWMMJOMXNLA-UHFFFAOYSA-N 1 0 246.358 2.126 20 30 BEEDRO CC(C)(C)C[N@H+](CCC#N)CCC(C)(C)O ZINC000081671720 345484220 /nfs/dbraw/zinc/48/42/20/345484220.db2.gz IMZLHBPDMQHLCM-UHFFFAOYSA-N 1 0 226.364 2.409 20 30 BEEDRO CC(C)(C)[C@H]([NH3+])c1cn([C@H]2CC[C@@H](C#N)C2)nn1 ZINC000600973376 345547190 /nfs/dbraw/zinc/54/71/90/345547190.db2.gz NFKVGBPSGHHDDR-JFGNBEQYSA-N 1 0 247.346 2.189 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCn1cnnc1C1CC1 ZINC000090033954 345562935 /nfs/dbraw/zinc/56/29/35/345562935.db2.gz YRSILHHLSKFZPW-VXGBXAGGSA-N 1 0 248.374 2.346 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+](CC)CC(=O)NCC ZINC000091507098 345595358 /nfs/dbraw/zinc/59/53/58/345595358.db2.gz SINSHKLTMNFNFK-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCOc1ccccc1CN1CC[NH2+][C@@H](C)C1 ZINC000092454936 345620878 /nfs/dbraw/zinc/62/08/78/345620878.db2.gz LESXXBIFQZMKQS-ZDUSSCGKSA-N 1 0 246.354 2.045 20 30 BEEDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000082668618 345664039 /nfs/dbraw/zinc/66/40/39/345664039.db2.gz GCQRWGLIGNZMAQ-GXFFZTMASA-N 1 0 215.300 2.231 20 30 BEEDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccnc(C#N)c1 ZINC000082668555 345664277 /nfs/dbraw/zinc/66/42/77/345664277.db2.gz QUZOKPZSOZTFJB-GHMZBOCLSA-N 1 0 217.316 2.477 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1csc(C)c1 ZINC000449207324 201838019 /nfs/dbraw/zinc/83/80/19/201838019.db2.gz QVABUOBWDQJZAV-NSHDSACASA-N 1 0 225.357 2.331 20 30 BEEDRO C[C@@H]1C[NH+](Cc2ccc(C#N)o2)C[C@H]1C ZINC000093503502 345674564 /nfs/dbraw/zinc/67/45/64/345674564.db2.gz KDLSLUJITMAKGT-NXEZZACHSA-N 1 0 204.273 2.239 20 30 BEEDRO C=CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000070592197 345788820 /nfs/dbraw/zinc/78/88/20/345788820.db2.gz DGWXIKPDDIWXEQ-UHFFFAOYSA-N 1 0 206.245 2.261 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cc1ccoc1 ZINC000449243566 201845672 /nfs/dbraw/zinc/84/56/72/201845672.db2.gz LSRRBROIXSUQFJ-ZYHUDNBSSA-N 1 0 206.289 2.492 20 30 BEEDRO COCC1CCC([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000449247396 201849384 /nfs/dbraw/zinc/84/93/84/201849384.db2.gz FYFAFSYSNKVSMG-FKZOYECMSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC(=O)N(C)CC ZINC000449255571 201849634 /nfs/dbraw/zinc/84/96/34/201849634.db2.gz FGVNDHVVIXWIIR-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc(CC(C)C)s1 ZINC000289560398 345871923 /nfs/dbraw/zinc/87/19/23/345871923.db2.gz RSLDCHSBZRQMNN-SNVBAGLBSA-N 1 0 222.357 2.453 20 30 BEEDRO CC1(C#N)CCC([NH2+]CCN2CC=CCC2)CC1 ZINC000449304652 201863706 /nfs/dbraw/zinc/86/37/06/201863706.db2.gz ZVFPRGXGYHRLCS-UHFFFAOYSA-N 1 0 247.386 2.310 20 30 BEEDRO C[C@@H](O)[C@@H]1CCC[N@@H+](C[C@H](C)CCC#N)C1 ZINC000585727216 345982128 /nfs/dbraw/zinc/98/21/28/345982128.db2.gz PZAIZDGAEKWPNM-JHJVBQTASA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CO)[N@H+](C)Cc1ccc(C(C)(C)C#N)cc1 ZINC000585754786 345985829 /nfs/dbraw/zinc/98/58/29/345985829.db2.gz RVJXWHUYWNRNKW-GFCCVEGCSA-N 1 0 246.354 2.300 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C#N)n(C)c2)CC1 ZINC000191354355 346024605 /nfs/dbraw/zinc/02/46/05/346024605.db2.gz BGUVPVWZKAAFHZ-UHFFFAOYSA-N 1 0 229.327 2.295 20 30 BEEDRO CCC#C[C@H](C)N1C[C@H](C)[S@@](=O)[C@@H](CC)C1 ZINC000586779087 346099495 /nfs/dbraw/zinc/09/94/95/346099495.db2.gz WWPBRTSLGHSZSD-WFGGJUAMSA-N 1 0 241.400 2.020 20 30 BEEDRO C=CC[C@H](CC)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635891156 346103400 /nfs/dbraw/zinc/10/34/00/346103400.db2.gz GKQUMOZUGCZCEO-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCN(C(=O)[C@@H](C)[NH+](C)C)c1ccccc1 ZINC000635944482 346118101 /nfs/dbraw/zinc/11/81/01/346118101.db2.gz VIDYKYMMLMMLTJ-GFCCVEGCSA-N 1 0 232.327 2.156 20 30 BEEDRO C=CCC(C)(C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635959171 346132946 /nfs/dbraw/zinc/13/29/46/346132946.db2.gz CSWUSDKDUYLNDV-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000601119832 346149048 /nfs/dbraw/zinc/14/90/48/346149048.db2.gz XGMUMXCWLWQXNE-UHFFFAOYSA-N 1 0 245.326 2.207 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@@]1(C)CCCS1 ZINC000628231746 346184087 /nfs/dbraw/zinc/18/40/87/346184087.db2.gz ZOYHZNHRZFRFMW-NWDGAFQWSA-N 1 0 229.389 2.046 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C[C@]1(C)CCCS1 ZINC000628231747 346184251 /nfs/dbraw/zinc/18/42/51/346184251.db2.gz ZOYHZNHRZFRFMW-RYUDHWBXSA-N 1 0 229.389 2.046 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(COC)o1)C(C)C ZINC000289644262 346215910 /nfs/dbraw/zinc/21/59/10/346215910.db2.gz XQZGPDMTQUTLFJ-ZDUSSCGKSA-N 1 0 221.300 2.173 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](CC)c1ccccc1F ZINC000289677967 346251975 /nfs/dbraw/zinc/25/19/75/346251975.db2.gz HPDQSJOJEGPFLC-MFKMUULPSA-N 1 0 223.291 2.413 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H](CO)CC(F)F)CC1 ZINC000603430346 349951846 /nfs/dbraw/zinc/95/18/46/349951846.db2.gz HCKIBTYUPKREMQ-SQLBVSGCSA-N 1 0 246.301 2.065 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC000294904130 346318601 /nfs/dbraw/zinc/31/86/01/346318601.db2.gz FRSOYPFPPWKMDZ-CYBMUJFWSA-N 1 0 248.345 2.431 20 30 BEEDRO C=CCCCCC[NH2+]Cc1ccncc1N ZINC000641771604 362710021 /nfs/dbraw/zinc/71/00/21/362710021.db2.gz JWNNAEJYOFGANY-UHFFFAOYSA-N 1 0 219.332 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CC#CC)C1 ZINC000641766720 362699790 /nfs/dbraw/zinc/69/97/90/362699790.db2.gz AVTRJLDUWKHMIQ-MGPQQGTHSA-N 1 0 221.344 2.095 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000641767145 362700288 /nfs/dbraw/zinc/70/02/88/362700288.db2.gz HNVXGLMEKAMKSH-BFHYXJOUSA-N 1 0 223.360 2.177 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC(C)(C)C[C@@H]1C ZINC000641767222 362700428 /nfs/dbraw/zinc/70/04/28/362700428.db2.gz HOGAQZLBVQRCNT-YNEHKIRRSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000636155894 346338112 /nfs/dbraw/zinc/33/81/12/346338112.db2.gz DKCQRVQWAIGPOL-UPJWGTAASA-N 1 0 238.375 2.188 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000641768273 362705225 /nfs/dbraw/zinc/70/52/25/362705225.db2.gz YSBQZJZRGHCODB-REWJHTLYSA-N 1 0 223.360 2.175 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](C)CC1 ZINC000641768465 362706656 /nfs/dbraw/zinc/70/66/56/362706656.db2.gz ZLBFTQLSVRJDNZ-MELADBBJSA-N 1 0 223.360 2.319 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@H](C)C1CCSCC1 ZINC000192719992 365809568 /nfs/dbraw/zinc/80/95/68/365809568.db2.gz PVHHIKHQVYLLBQ-VHSXEESVSA-N 1 0 212.362 2.267 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)n(C)n1 ZINC000281976190 346372822 /nfs/dbraw/zinc/37/28/22/346372822.db2.gz BRZOICIGFWEUPS-KOLCDFICSA-N 1 0 207.321 2.344 20 30 BEEDRO N#CC1CCC(C[NH2+]Cc2cc[nH]c2)CC1 ZINC000282043203 346378149 /nfs/dbraw/zinc/37/81/49/346378149.db2.gz ARPNSLWOBULFND-UHFFFAOYSA-N 1 0 217.316 2.434 20 30 BEEDRO C=CC[NH+](CC=C)CCOCC1CCC1 ZINC000419179186 192101328 /nfs/dbraw/zinc/10/13/28/192101328.db2.gz CXJPEOCGRBPJSD-UHFFFAOYSA-N 1 0 209.333 2.477 20 30 BEEDRO C[C@@H]1CCC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000669378966 537974584 /nfs/dbraw/zinc/97/45/84/537974584.db2.gz QOZWRAFIQRZVFH-LLVKDONJSA-N 1 0 215.300 2.185 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(C)c1F ZINC000295407908 346403908 /nfs/dbraw/zinc/40/39/08/346403908.db2.gz MUQIQSCAVRNQDO-GFCCVEGCSA-N 1 0 223.291 2.161 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCOC[C@@H]1CCCO1 ZINC000574952546 346439269 /nfs/dbraw/zinc/43/92/69/346439269.db2.gz VWLVDTGAHXKYKD-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000574957507 346461608 /nfs/dbraw/zinc/46/16/08/346461608.db2.gz WNBMJSHSCPNEQH-GFCCVEGCSA-N 1 0 224.348 2.073 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCC#N)cc1 ZINC000182433831 347094895 /nfs/dbraw/zinc/09/48/95/347094895.db2.gz AWDWKBKTXOXDEX-RYUDHWBXSA-N 1 0 248.326 2.274 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc2c(n1)CCC2 ZINC000574967188 346472208 /nfs/dbraw/zinc/47/22/08/346472208.db2.gz RHIVZXMHWAOUHZ-UHFFFAOYSA-N 1 0 229.327 2.354 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000603437100 349968836 /nfs/dbraw/zinc/96/88/36/349968836.db2.gz IBKSCYPAFVREFG-ITKZLYELSA-N 1 0 224.348 2.233 20 30 BEEDRO C=C[C@@H](C(=O)OC)[N@@H+](CC)C[C@H](C)CC ZINC000300772944 346501399 /nfs/dbraw/zinc/50/13/99/346501399.db2.gz BRILZSPKUZCSNB-MNOVXSKESA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)C[NH2+][C@@](C)(CC(=O)OC)c1ccncc1 ZINC000589162926 346670760 /nfs/dbraw/zinc/67/07/60/346670760.db2.gz ZEWZGQAPSFJLQI-AWEZNQCLSA-N 1 0 248.326 2.026 20 30 BEEDRO CC1(C)C[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000580185852 346634389 /nfs/dbraw/zinc/63/43/89/346634389.db2.gz YQDWNEWZFMBEPZ-WDEREUQCSA-N 1 0 205.305 2.066 20 30 BEEDRO CC1(C)C[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000580185849 346634472 /nfs/dbraw/zinc/63/44/72/346634472.db2.gz YQDWNEWZFMBEPZ-GHMZBOCLSA-N 1 0 205.305 2.066 20 30 BEEDRO C#C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)C(C)C ZINC000380070627 365849139 /nfs/dbraw/zinc/84/91/39/365849139.db2.gz DDLUTMLGKHAXEB-AVGNSLFASA-N 1 0 209.333 2.049 20 30 BEEDRO CC(C)N(C)C[C@H](C)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000589344021 346690512 /nfs/dbraw/zinc/69/05/12/346690512.db2.gz MREPTWJNWPDLHM-IHRRRGAJSA-N 1 0 237.391 2.387 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)C(C)(C)O ZINC000589342966 346690927 /nfs/dbraw/zinc/69/09/27/346690927.db2.gz XYHMNMWVMXMJCT-HZMBPMFUSA-N 1 0 244.338 2.295 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000345350568 365858830 /nfs/dbraw/zinc/85/88/30/365858830.db2.gz HWKATLQFBXQOJK-NWDGAFQWSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1ccccn1 ZINC000181801165 346768417 /nfs/dbraw/zinc/76/84/17/346768417.db2.gz WBHZFNXPWSYKHA-VXGBXAGGSA-N 1 0 220.316 2.059 20 30 BEEDRO C=CCCCCC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000563638637 323133319 /nfs/dbraw/zinc/13/33/19/323133319.db2.gz RWIHDGZVGCABOB-CHWSQXEVSA-N 1 0 210.365 2.273 20 30 BEEDRO N#Cc1csc(C[NH+]2CC(C3CC3)C2)c1 ZINC000589736810 346734656 /nfs/dbraw/zinc/73/46/56/346734656.db2.gz RNEZVDLFXNGJJO-UHFFFAOYSA-N 1 0 218.325 2.462 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc(F)ccc1O ZINC000180673345 346749703 /nfs/dbraw/zinc/74/97/03/346749703.db2.gz ZXSJCMLGQKPBRM-UHFFFAOYSA-N 1 0 222.263 2.315 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc2c(s1)CCC2 ZINC000309579478 347108431 /nfs/dbraw/zinc/10/84/31/347108431.db2.gz PZJRCEKPMOUESH-MWLCHTKSSA-N 1 0 237.368 2.434 20 30 BEEDRO CCO[C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000590161264 346784349 /nfs/dbraw/zinc/78/43/49/346784349.db2.gz VXZDDRWBTUYWMA-FRRDWIJNSA-N 1 0 222.332 2.180 20 30 BEEDRO COC[C@H]1CC[N@@H+]1Cc1ccc(C#N)cc1C ZINC000590186867 346789560 /nfs/dbraw/zinc/78/95/60/346789560.db2.gz PKCGGTXZCGEQFQ-CQSZACIVSA-N 1 0 230.311 2.087 20 30 BEEDRO C=C(C)CC[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000309598572 347114495 /nfs/dbraw/zinc/11/44/95/347114495.db2.gz JHIKUJWDIMTQBP-LBPRGKRZSA-N 1 0 217.312 2.415 20 30 BEEDRO C[C@H](C[N@H+](C)CCCC#N)c1nccs1 ZINC000183919138 347142427 /nfs/dbraw/zinc/14/24/27/347142427.db2.gz WEYAHFQJFACCEI-SNVBAGLBSA-N 1 0 223.345 2.482 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1ncc(C)cn1 ZINC000309781574 347160157 /nfs/dbraw/zinc/16/01/57/347160157.db2.gz RHTMYRCQTRVOQU-GFCCVEGCSA-N 1 0 219.332 2.272 20 30 BEEDRO N#CC[C@@H]1CCC[N@H+](CCc2ccccn2)C1 ZINC000397586398 347169575 /nfs/dbraw/zinc/16/95/75/347169575.db2.gz ARHLXYPQEGAMAM-ZDUSSCGKSA-N 1 0 229.327 2.250 20 30 BEEDRO C=CCCCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000582043860 347125133 /nfs/dbraw/zinc/12/51/33/347125133.db2.gz OFBOBNCLFGXGCV-AWEZNQCLSA-N 1 0 239.359 2.224 20 30 BEEDRO C=CCCCC[NH2+][C@H](C(=O)NCC)C(C)C ZINC000582043891 347125545 /nfs/dbraw/zinc/12/55/45/347125545.db2.gz SFKBTRMQGWLVMQ-LBPRGKRZSA-N 1 0 226.364 2.093 20 30 BEEDRO C=C[C@H](C)[NH2+][C@H](C)c1cc(OC)ncc1F ZINC000309893954 347194456 /nfs/dbraw/zinc/19/44/56/347194456.db2.gz DZXUIQKRVWFMLB-DTWKUNHWSA-N 1 0 224.279 2.454 20 30 BEEDRO Cc1n[nH]cc1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185773383 347213169 /nfs/dbraw/zinc/21/31/69/347213169.db2.gz VBWYKETWFPILPP-TZMCWYRMSA-N 1 0 246.358 2.323 20 30 BEEDRO Cn1cc(CCC[NH2+][C@H]2CCC[C@H](C#N)C2)cn1 ZINC000185712927 347210796 /nfs/dbraw/zinc/21/07/96/347210796.db2.gz OHZBKBTXCMHYMY-JSGCOSHPSA-N 1 0 246.358 2.025 20 30 BEEDRO Cc1ccsc1[C@H](CO)[NH2+]CCCCC#N ZINC000309845823 347186510 /nfs/dbraw/zinc/18/65/10/347186510.db2.gz GKYVLFAGJSOPPB-NSHDSACASA-N 1 0 238.356 2.373 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCc2cccnc2)C1 ZINC000185773764 347213674 /nfs/dbraw/zinc/21/36/74/347213674.db2.gz ZKUFYYQENIGDSL-KGLIPLIRSA-N 1 0 229.327 2.296 20 30 BEEDRO Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185810292 347215883 /nfs/dbraw/zinc/21/58/83/347215883.db2.gz MCFQTMUNWLODES-CHWSQXEVSA-N 1 0 246.358 2.209 20 30 BEEDRO CCCCOCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000310013607 347216857 /nfs/dbraw/zinc/21/68/57/347216857.db2.gz JVNJOZYDSUVDBC-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C=CCCCN(C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000310110759 347232524 /nfs/dbraw/zinc/23/25/24/347232524.db2.gz FJOUQDSTCCYRBO-CHWSQXEVSA-N 1 0 238.375 2.319 20 30 BEEDRO C=CCC[N@@H+](C)CCC(=O)OC(C)(C)C ZINC000150906698 166256712 /nfs/dbraw/zinc/25/67/12/166256712.db2.gz SBEUAWRBWBPHGC-UHFFFAOYSA-N 1 0 213.321 2.226 20 30 BEEDRO CC[N@H+](CCC1(OC)CCC1)C[C@H](C)C#N ZINC000310382023 347274281 /nfs/dbraw/zinc/27/42/81/347274281.db2.gz BERKXTCAJVPNBY-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO CC#CC[N@H+]1CCCC[C@@H](CCOC)C1 ZINC000364150731 347283680 /nfs/dbraw/zinc/28/36/80/347283680.db2.gz OVOYFIKZLBXBSG-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]1Cc1ccccc1C#N ZINC000189679723 347307904 /nfs/dbraw/zinc/30/79/04/347307904.db2.gz DBHCWBVKAUMMRD-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CCC[N@@H+](C)C[C@@](C)(O)c1ccccc1 ZINC000276501515 166257879 /nfs/dbraw/zinc/25/78/79/166257879.db2.gz WGHQJQPSTSSKDL-CQSZACIVSA-N 1 0 219.328 2.402 20 30 BEEDRO CC(C)(C)[C@@H](CCO)[NH2+]CC#Cc1ccccc1 ZINC000192164133 347367992 /nfs/dbraw/zinc/36/79/92/347367992.db2.gz LKMGSNZIYDKMFW-OAHLLOKOSA-N 1 0 245.366 2.425 20 30 BEEDRO Cc1c[nH+]ccc1N[C@H]1CC[C@@H](CC#N)C1 ZINC000334656892 136749269 /nfs/dbraw/zinc/74/92/69/136749269.db2.gz UPWHJAAIVCTWAA-RYUDHWBXSA-N 1 0 215.300 2.306 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H](CCO)c2ccco2)C1 ZINC000193297063 347394765 /nfs/dbraw/zinc/39/47/65/347394765.db2.gz VLIBEUFMIIKGBJ-YNEHKIRRSA-N 1 0 248.326 2.375 20 30 BEEDRO CN(C)C(=[NH+][C@@H]1C[C@H]1c1ccc(F)cc1)N(C)C ZINC000193302531 347394886 /nfs/dbraw/zinc/39/48/86/347394886.db2.gz MONRLGDNXMSTLR-QWHCGFSZSA-N 1 0 249.333 2.161 20 30 BEEDRO Cc1cc(C[NH2+]C2CCN(CC#N)CC2)cs1 ZINC000590645648 347484756 /nfs/dbraw/zinc/48/47/56/347484756.db2.gz ONAURVMPNJVFIP-UHFFFAOYSA-N 1 0 249.383 2.134 20 30 BEEDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]C2CCN(CC#N)CC2)C1 ZINC000590645589 347484830 /nfs/dbraw/zinc/48/48/30/347484830.db2.gz JOPJRIMTIKZRDO-IPYPFGDCSA-N 1 0 249.402 2.389 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@H]1C(=O)OC ZINC000590683390 347490323 /nfs/dbraw/zinc/49/03/23/347490323.db2.gz JZHSJRDUPITSGT-LBPRGKRZSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000178437114 166259864 /nfs/dbraw/zinc/25/98/64/166259864.db2.gz ZPCCTWICNPBLMS-INIZCTEOSA-N 1 0 237.368 2.432 20 30 BEEDRO CC(C)[N@H+](CCC#N)C[C@H]1CCSC1 ZINC000580686890 365879049 /nfs/dbraw/zinc/87/90/49/365879049.db2.gz MQQFGWRXXIJUOK-LLVKDONJSA-N 1 0 212.362 2.364 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(OC)c(O)c1 ZINC000177225562 166260295 /nfs/dbraw/zinc/26/02/95/166260295.db2.gz OIGVDLHXQSDLFA-UHFFFAOYSA-N 1 0 221.300 2.409 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](CCCC)C(=O)OC ZINC000276368733 166260448 /nfs/dbraw/zinc/26/04/48/166260448.db2.gz GRQMRAVYBXYWAX-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C[C@H](C#N)CN(C)c1[nH+]ccc2[nH]ccc21 ZINC000590571883 347473800 /nfs/dbraw/zinc/47/38/00/347473800.db2.gz GZWAMBLBCYRZJA-SECBINFHSA-N 1 0 214.272 2.159 20 30 BEEDRO C=CCCC[N@H+]1C[C@H](N)[C@@H](c2ccccc2)C1 ZINC000302323703 347516416 /nfs/dbraw/zinc/51/64/16/347516416.db2.gz FFSDORSFURIWCT-CABCVRRESA-N 1 0 230.355 2.379 20 30 BEEDRO N#Cc1cccc(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000367255471 187378524 /nfs/dbraw/zinc/37/85/24/187378524.db2.gz XOUYMKJBOCEISQ-UHFFFAOYSA-N 1 0 242.322 2.313 20 30 BEEDRO CCC#C[C@@H](C)N1CC[S@](=O)C(C)(C)CC1 ZINC000590760496 347523167 /nfs/dbraw/zinc/52/31/67/347523167.db2.gz CRXFCNRBAVYUQQ-WBMJQRKESA-N 1 0 241.400 2.021 20 30 BEEDRO C[C@@H]1[C@H](O)CC[N@@H+]1CCCCC(C)(C)C#N ZINC000590762212 347527085 /nfs/dbraw/zinc/52/70/85/347527085.db2.gz BNEZMLYVYFHRPY-VXGBXAGGSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)CCC#N ZINC000591011277 347605430 /nfs/dbraw/zinc/60/54/30/347605430.db2.gz NUNMCSJVWLMMQG-RYUDHWBXSA-N 1 0 210.321 2.037 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CCO1 ZINC000590970508 347597248 /nfs/dbraw/zinc/59/72/48/347597248.db2.gz ZZZNYIZBIXLLPQ-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000590972135 347598551 /nfs/dbraw/zinc/59/85/51/347598551.db2.gz HMKRANGQTSVKHF-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCC[N@H+]1CC[C@@](C(=O)OCC)(C(C)C)C1 ZINC000338541782 166265402 /nfs/dbraw/zinc/26/54/02/166265402.db2.gz VRTHNNDTYOMWJY-AWEZNQCLSA-N 1 0 239.359 2.474 20 30 BEEDRO CC[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CC1(C)C ZINC000591239078 347632222 /nfs/dbraw/zinc/63/22/22/347632222.db2.gz RYFMSUYPOUHZGF-KGLIPLIRSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H](CCCCO)[NH2+]CC(C)(C)CC#N ZINC000591243346 347633721 /nfs/dbraw/zinc/63/37/21/347633721.db2.gz WOKZNQMESVZLLW-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000591357609 347644456 /nfs/dbraw/zinc/64/44/56/347644456.db2.gz BZAHDELWFKKQDV-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC2(C#N)CCC2)CCO1 ZINC000591357712 347644499 /nfs/dbraw/zinc/64/44/99/347644499.db2.gz VWLALQNSTLVEHH-VXGBXAGGSA-N 1 0 222.332 2.227 20 30 BEEDRO CC(C)[C@@H]1C[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000591374821 347649811 /nfs/dbraw/zinc/64/98/11/347649811.db2.gz PVUISVAYUZQOKI-AGIUHOORSA-N 1 0 219.332 2.312 20 30 BEEDRO N#CCCN[C@@H](Cn1cccn1)c1ccccc1 ZINC000591018848 347607383 /nfs/dbraw/zinc/60/73/83/347607383.db2.gz SFDYVKLYTQSMSA-AWEZNQCLSA-N 1 0 240.310 2.128 20 30 BEEDRO C=CCC1(c2nc(C[C@@H](C)[NH2+]C)no2)CCC1 ZINC000414654599 323150989 /nfs/dbraw/zinc/15/09/89/323150989.db2.gz YPQBAYZHKOGEIR-SNVBAGLBSA-N 1 0 235.331 2.218 20 30 BEEDRO C=C1CCN(Cc2conc2CC)CC1 ZINC000334435546 347615008 /nfs/dbraw/zinc/61/50/08/347615008.db2.gz FTRUKHVUJWGNEV-UHFFFAOYSA-N 1 0 206.289 2.389 20 30 BEEDRO CC[NH2+]CCN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000591576862 347676840 /nfs/dbraw/zinc/67/68/40/347676840.db2.gz KQQMRUUKXVMIAZ-OAHLLOKOSA-N 1 0 243.354 2.135 20 30 BEEDRO C[C@@H]([NH3+])CN[C@H]1CCCCc2cc(C#N)ccc21 ZINC000591581366 347677563 /nfs/dbraw/zinc/67/75/63/347677563.db2.gz RWKDMQGJZGRBCI-ABAIWWIYSA-N 1 0 243.354 2.263 20 30 BEEDRO Cc1csc(CC[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000591724869 347688990 /nfs/dbraw/zinc/68/89/90/347688990.db2.gz LCCCEEAVGWYDCJ-LLVKDONJSA-N 1 0 248.355 2.027 20 30 BEEDRO CC(C)OC1CCC([NH2+]CCC#N)CC1 ZINC000591757062 347691173 /nfs/dbraw/zinc/69/11/73/347691173.db2.gz VSWXYJFMHRAKSD-UHFFFAOYSA-N 1 0 210.321 2.226 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000590753850 347691317 /nfs/dbraw/zinc/69/13/17/347691317.db2.gz FWWYCYFOBUCQIH-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000591728978 347693424 /nfs/dbraw/zinc/69/34/24/347693424.db2.gz BBFQACONCJGIBJ-OCCSQVGLSA-N 1 0 239.322 2.359 20 30 BEEDRO N#CCCCC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000591734471 347694024 /nfs/dbraw/zinc/69/40/24/347694024.db2.gz BDEHOBGRXYRXTB-ZDUSSCGKSA-N 1 0 224.348 2.211 20 30 BEEDRO Cc1ccc(CC[C@H](C)[NH2+]CCC#N)o1 ZINC000591744671 347695587 /nfs/dbraw/zinc/69/55/87/347695587.db2.gz WFVMVEFJELAMLI-JTQLQIEISA-N 1 0 206.289 2.412 20 30 BEEDRO C=CCC[N@H+]1C[C@H](SC)[C@@H](N2CCCC2)C1 ZINC000338563056 166267540 /nfs/dbraw/zinc/26/75/40/166267540.db2.gz HYUIGUCQFWCIHN-STQMWFEESA-N 1 0 240.416 2.074 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000591473605 347667414 /nfs/dbraw/zinc/66/74/14/347667414.db2.gz IPVWNYYJSYIOQA-CORIIIEPSA-N 1 0 244.338 2.322 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](C)C#N)CS1 ZINC000308519725 347774324 /nfs/dbraw/zinc/77/43/24/347774324.db2.gz OHZYKOOFSKYLTM-GMTAPVOTSA-N 1 0 212.362 2.266 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000592366637 347774996 /nfs/dbraw/zinc/77/49/96/347774996.db2.gz FWAORIAVNZXFQZ-YWPUVAFDSA-N 1 0 222.332 2.083 20 30 BEEDRO CCCCN(CCOC)Cc1ccncc1C#N ZINC000592071063 347727213 /nfs/dbraw/zinc/72/72/13/347727213.db2.gz YAZPDVAPMXFWKH-UHFFFAOYSA-N 1 0 247.342 2.202 20 30 BEEDRO CC[C@H]1CN(Cc2ccncc2C#N)CCS1 ZINC000592070020 347727504 /nfs/dbraw/zinc/72/75/04/347727504.db2.gz BKOUYGOFHCGNNO-ZDUSSCGKSA-N 1 0 247.367 2.281 20 30 BEEDRO C[C@H](C#N)C[N@H+](CCC[C@H]1CCOC1)C1CC1 ZINC000592088076 347731179 /nfs/dbraw/zinc/73/11/79/347731179.db2.gz UAUMNRXVNFCGOY-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccncc2C#N)[C@H]1C ZINC000592125108 347738454 /nfs/dbraw/zinc/73/84/54/347738454.db2.gz PSDKTTWVLLWEJG-UTUOFQBUSA-N 1 0 229.327 2.430 20 30 BEEDRO N#Cc1cnccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000592124903 347738493 /nfs/dbraw/zinc/73/84/93/347738493.db2.gz MEMOTAXCXHQDFR-DDTOSNHZSA-N 1 0 227.311 2.231 20 30 BEEDRO C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148563 347740936 /nfs/dbraw/zinc/74/09/36/347740936.db2.gz ZSHBQZSZNRHPGG-FZMZJTMJSA-N 1 0 248.301 2.237 20 30 BEEDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592147800 347741110 /nfs/dbraw/zinc/74/11/10/347741110.db2.gz OSKMYMGLBLCIHD-OAHLLOKOSA-N 1 0 244.338 2.154 20 30 BEEDRO CCc1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)cc1 ZINC000592150924 347742612 /nfs/dbraw/zinc/74/26/12/347742612.db2.gz JVHLENRTWWXLAS-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO Cc1cccc(C)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150983 347742684 /nfs/dbraw/zinc/74/26/84/347742684.db2.gz LNQBKHVTHGWUCO-HNNXBMFYSA-N 1 0 244.338 2.154 20 30 BEEDRO CCc1ccccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154551 347744806 /nfs/dbraw/zinc/74/48/06/347744806.db2.gz TYYQACFVJQJVIN-OAHLLOKOSA-N 1 0 244.338 2.099 20 30 BEEDRO CCC#C[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000592173602 347758461 /nfs/dbraw/zinc/75/84/61/347758461.db2.gz XZZZKRFULMNDMO-LPWJVIDDSA-N 1 0 241.400 2.287 20 30 BEEDRO CC(C)[C@@H]([NH2+]CCCC#N)C1(CO)CC=CC1 ZINC000592178089 347759154 /nfs/dbraw/zinc/75/91/54/347759154.db2.gz VVMORBZDZOOESE-CYBMUJFWSA-N 1 0 236.359 2.233 20 30 BEEDRO C[C@@H]1CC2(C[N@@H+]1CCCC#N)CCOCC2 ZINC000592184407 347759985 /nfs/dbraw/zinc/75/99/85/347759985.db2.gz PMBGKYOKXBWWQQ-GFCCVEGCSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H]1CC2(C[N@@H+]1CC1(C#N)CC1)CCOCC2 ZINC000592183561 347760244 /nfs/dbraw/zinc/76/02/44/347760244.db2.gz KEKYEEAMGCHCGE-GFCCVEGCSA-N 1 0 234.343 2.181 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000449521948 201952988 /nfs/dbraw/zinc/95/29/88/201952988.db2.gz UDXOANJMGGXCGE-KGLIPLIRSA-N 1 0 247.338 2.442 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000419182981 192108991 /nfs/dbraw/zinc/10/89/91/192108991.db2.gz LZRVLCPGKJGYRG-ZDUSSCGKSA-N 1 0 246.354 2.405 20 30 BEEDRO N#Cc1cc(C[N@@H+]2CCC23CCCC3)ccn1 ZINC000593038563 347843198 /nfs/dbraw/zinc/84/31/98/347843198.db2.gz JGHSAARSGKKHRA-UHFFFAOYSA-N 1 0 227.311 2.472 20 30 BEEDRO N#CCSCCCN1CCCC(F)(F)C1 ZINC000593048028 347843959 /nfs/dbraw/zinc/84/39/59/347843959.db2.gz HTMHOFLYZJPZFT-UHFFFAOYSA-N 1 0 234.315 2.364 20 30 BEEDRO CC[C@H]1C[N@H+](CCCSCC#N)[C@@H](C)CO1 ZINC000593063383 347848805 /nfs/dbraw/zinc/84/88/05/347848805.db2.gz MGIDLZRQFMDKDQ-RYUDHWBXSA-N 1 0 242.388 2.133 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@@H+](C)[C@H](C)CCO ZINC000593107768 347859870 /nfs/dbraw/zinc/85/98/70/347859870.db2.gz IMCSLCSPIKWJHS-GFCCVEGCSA-N 1 0 232.327 2.069 20 30 BEEDRO C[C@@H](CO)C1CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000593080750 347850861 /nfs/dbraw/zinc/85/08/61/347850861.db2.gz DDJBYFYJHLPUAF-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C[C@H](CO)C1CC[NH+](CCC(C)(C)C#N)CC1 ZINC000593082621 347851605 /nfs/dbraw/zinc/85/16/05/347851605.db2.gz ITOIGHCGRSURJB-GFCCVEGCSA-N 1 0 238.375 2.267 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CCO[C@@H](CC)C1)C(C)C ZINC000390678187 259398190 /nfs/dbraw/zinc/39/81/90/259398190.db2.gz YMLQZMZPTFZPRV-RDBSUJKOSA-N 1 0 223.360 2.439 20 30 BEEDRO N#CCCCC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593115353 347861681 /nfs/dbraw/zinc/86/16/81/347861681.db2.gz ISSWSCLQZCPAKC-SNVBAGLBSA-N 1 0 214.259 2.411 20 30 BEEDRO CC(C)C[N@H+](C)CCCNc1ccc(C#N)nc1 ZINC000593481081 347896465 /nfs/dbraw/zinc/89/64/65/347896465.db2.gz VRWQRQWVYPCFMY-UHFFFAOYSA-N 1 0 246.358 2.343 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC2(CO)CCC2)c1 ZINC000593693225 347929103 /nfs/dbraw/zinc/92/91/03/347929103.db2.gz JARBDWVVDNFCGH-UHFFFAOYSA-N 1 0 244.338 2.201 20 30 BEEDRO CN(CC[NH+]1CCCCC1)Cc1ccc(C#N)o1 ZINC000593703206 347930724 /nfs/dbraw/zinc/93/07/24/347930724.db2.gz QPIUIPZJEHIBCP-UHFFFAOYSA-N 1 0 247.342 2.069 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CC2(C(=O)OC)CC2)C1 ZINC000593616474 347916141 /nfs/dbraw/zinc/91/61/41/347916141.db2.gz LNOPLJSJRVGCQG-NWDGAFQWSA-N 1 0 237.343 2.274 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC[S@](C)=O)C1 ZINC000593605591 347919654 /nfs/dbraw/zinc/91/96/54/347919654.db2.gz TYIUSLSMZMGALD-ZWUHOBOKSA-N 1 0 243.416 2.478 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C[S@@](C)=O)C1 ZINC000593614611 347921052 /nfs/dbraw/zinc/92/10/52/347921052.db2.gz FRSGDKJDCORYAH-OZTPJHRESA-N 1 0 229.389 2.088 20 30 BEEDRO CC(C)OC[C@H](C)[NH2+]CC1(C#N)CCCC1 ZINC000593654445 347922039 /nfs/dbraw/zinc/92/20/39/347922039.db2.gz CMKORWZKSFTDKW-LBPRGKRZSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](C2CC2)C2CCOCC2)C1 ZINC000593667082 347924471 /nfs/dbraw/zinc/92/44/71/347924471.db2.gz SSDBJOQFMXIJJW-DFBGVHRSSA-N 1 0 248.370 2.473 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000449548968 201961183 /nfs/dbraw/zinc/96/11/83/201961183.db2.gz SPALOQFLIGBUFO-TUAOUCFPSA-N 1 0 227.373 2.205 20 30 BEEDRO CC(C)(CC[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000594016481 347990581 /nfs/dbraw/zinc/99/05/81/347990581.db2.gz YJWJSIJRGCNUSQ-AWEZNQCLSA-N 1 0 236.359 2.163 20 30 BEEDRO CCC(C)(C)[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000594020283 347991324 /nfs/dbraw/zinc/99/13/24/347991324.db2.gz GAGHYJUKBAKJDF-CYBMUJFWSA-N 1 0 237.391 2.485 20 30 BEEDRO CCC(C)(C)[NH+]1CCN(CCCCC#N)CC1 ZINC000594020279 347991358 /nfs/dbraw/zinc/99/13/58/347991358.db2.gz FWIGFYYJAIHZGN-UHFFFAOYSA-N 1 0 237.391 2.486 20 30 BEEDRO C[C@@H](O)C[N@H+](Cc1cccc(C#N)c1F)C1CC1 ZINC000594064259 347997586 /nfs/dbraw/zinc/99/75/86/347997586.db2.gz MASLUNITKAAOJJ-SNVBAGLBSA-N 1 0 248.301 2.043 20 30 BEEDRO CC[C@H](CC#N)NCCC[NH+](CC)CC ZINC000036987463 347997920 /nfs/dbraw/zinc/99/79/20/347997920.db2.gz YXDGGPCUGPLKDS-GFCCVEGCSA-N 1 0 211.353 2.000 20 30 BEEDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000593985866 347978925 /nfs/dbraw/zinc/97/89/25/347978925.db2.gz NLRAMRJQPORQFX-KBPBESRZSA-N 1 0 245.326 2.000 20 30 BEEDRO N#CCCCC[NH2+][C@@H]1CCCn2ccnc21 ZINC000594496078 348063221 /nfs/dbraw/zinc/06/32/21/348063221.db2.gz ZIKNBSATGAOMTI-LLVKDONJSA-N 1 0 218.304 2.001 20 30 BEEDRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000594515796 348063372 /nfs/dbraw/zinc/06/33/72/348063372.db2.gz RITIDMAICOAGAT-DYEKYZERSA-N 1 0 229.327 2.294 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCn3ccnc32)C1 ZINC000594506682 348064805 /nfs/dbraw/zinc/06/48/05/348064805.db2.gz WJTBEFJROAIODN-RWMBFGLXSA-N 1 0 244.342 2.390 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(F)c1 ZINC000594582810 348077066 /nfs/dbraw/zinc/07/70/66/348077066.db2.gz JBRWRIOYDNQROQ-CHWSQXEVSA-N 1 0 247.317 2.057 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000131785407 323175257 /nfs/dbraw/zinc/17/52/57/323175257.db2.gz JTJKDGSCFKBENX-GRYCIOLGSA-N 1 0 229.389 2.139 20 30 BEEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccccc1 ZINC000594424465 348051330 /nfs/dbraw/zinc/05/13/30/348051330.db2.gz DYEHAUWRLPDGOG-GFCCVEGCSA-N 1 0 231.299 2.036 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)c(F)c2)CC1 ZINC000594515764 348062059 /nfs/dbraw/zinc/06/20/59/348062059.db2.gz QJBCBFPXQUPMAY-UHFFFAOYSA-N 1 0 248.301 2.214 20 30 BEEDRO CC[C@H](CO)[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594493862 348062457 /nfs/dbraw/zinc/06/24/57/348062457.db2.gz TTZFKHSCUOIEPI-CQSZACIVSA-N 1 0 246.354 2.348 20 30 BEEDRO N#CC1(CN[C@@H]2CCC[NH2+]CC2)CCCCC1 ZINC000594738886 348110551 /nfs/dbraw/zinc/11/05/51/348110551.db2.gz IQCYTLFKQCJEET-CYBMUJFWSA-N 1 0 235.375 2.192 20 30 BEEDRO N#Cc1ccc2c(c1)CN(CC1(F)CC1)C2 ZINC000594610925 348082449 /nfs/dbraw/zinc/08/24/49/348082449.db2.gz HQEVGWIRVSCNLG-UHFFFAOYSA-N 1 0 216.259 2.376 20 30 BEEDRO C[C@@H]1CC[C@@H]([NH2+]CC2(C#N)CC2)CS1 ZINC000594610954 348082474 /nfs/dbraw/zinc/08/24/74/348082474.db2.gz AFUHNOQBLTYFFD-NXEZZACHSA-N 1 0 210.346 2.164 20 30 BEEDRO Cn1cccc1CN1Cc2ccc(C#N)cc2C1 ZINC000594613623 348083461 /nfs/dbraw/zinc/08/34/61/348083461.db2.gz PZWUQQZRBZLODH-UHFFFAOYSA-N 1 0 237.306 2.413 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]CC2CCC(C#N)CC2)CO1 ZINC000594938951 348142532 /nfs/dbraw/zinc/14/25/32/348142532.db2.gz XVWJMJWZIYVGHD-NWINJMCUSA-N 1 0 236.359 2.473 20 30 BEEDRO CC[C@@H]1C[C@H]([NH2+]CC(C)(C)CC#N)CO1 ZINC000594943584 348144402 /nfs/dbraw/zinc/14/44/02/348144402.db2.gz DKJWVDXYEUEPOI-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594943542 348144415 /nfs/dbraw/zinc/14/44/15/348144415.db2.gz KZNTVOQLBRPNQP-IJLUTSLNSA-N 1 0 239.359 2.376 20 30 BEEDRO Cn1ncc(C2CC2)c1C[NH2+]CC(C)(C)CC#N ZINC000594945929 348145570 /nfs/dbraw/zinc/14/55/70/348145570.db2.gz JBWBAGMQDRJQTE-UHFFFAOYSA-N 1 0 246.358 2.327 20 30 BEEDRO CC(C)n1ccnc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000594951540 348147784 /nfs/dbraw/zinc/14/77/84/348147784.db2.gz VDVDSCLEONNKSQ-NWDGAFQWSA-N 1 0 232.331 2.246 20 30 BEEDRO CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000594959346 348150341 /nfs/dbraw/zinc/15/03/41/348150341.db2.gz CKZAOYMJNRFYEX-LLVKDONJSA-N 1 0 247.342 2.114 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccnn1CC1CC1 ZINC000594918499 348153314 /nfs/dbraw/zinc/15/33/14/348153314.db2.gz AZEDLLZZSXUWAD-UHFFFAOYSA-N 1 0 232.331 2.077 20 30 BEEDRO C[C@H](CSCCF)[NH2+]CCCCC#N ZINC000595010779 348159690 /nfs/dbraw/zinc/15/96/90/348159690.db2.gz IIDQNFRVUVZXIS-SNVBAGLBSA-N 1 0 218.341 2.361 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CO[C@H](C)C1 ZINC000594967215 348160476 /nfs/dbraw/zinc/16/04/76/348160476.db2.gz IIHJLKUTHBOIRX-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCCSCC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000594967216 348160667 /nfs/dbraw/zinc/16/06/67/348160667.db2.gz IIHJLKUTHBOIRX-MNOVXSKESA-N 1 0 215.362 2.063 20 30 BEEDRO Cc1cc(C[NH2+][C@@H](C)C2(CO)CC2)ccc1C#N ZINC000594968709 348161080 /nfs/dbraw/zinc/16/10/80/348161080.db2.gz IKPJVMMKPKTDMJ-LBPRGKRZSA-N 1 0 244.338 2.117 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)C1(CO)CC1 ZINC000594968428 348161473 /nfs/dbraw/zinc/16/14/73/348161473.db2.gz GQWBZFOQGCDNAY-LLVKDONJSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CCCSCC[NH2+]Cc1cc(C)n(C)n1 ZINC000594967240 348161512 /nfs/dbraw/zinc/16/15/12/348161512.db2.gz IWRVOTGLKGMECJ-UHFFFAOYSA-N 1 0 239.388 2.127 20 30 BEEDRO CC(C)([NH2+]C[C@@H]1CCOC1)c1cccc(C#N)c1 ZINC000594970132 348162060 /nfs/dbraw/zinc/16/20/60/348162060.db2.gz UGCZWLVIPADRBP-ZDUSSCGKSA-N 1 0 244.338 2.419 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)C1 ZINC000595044724 348178865 /nfs/dbraw/zinc/17/88/65/348178865.db2.gz ONHUEPQYWMMFAD-VHSXEESVSA-N 1 0 228.286 2.356 20 30 BEEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000594986296 348165446 /nfs/dbraw/zinc/16/54/46/348165446.db2.gz DELOKMQDALBGPZ-CEUNDQEZSA-N 1 0 248.370 2.352 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)o1 ZINC000594984575 348165735 /nfs/dbraw/zinc/16/57/35/348165735.db2.gz MUOTTWQIXCUWQR-ZSBIGDGJSA-N 1 0 202.257 2.039 20 30 BEEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000594989697 348166806 /nfs/dbraw/zinc/16/68/06/348166806.db2.gz VUJRNIHSWCVZPM-RYUDHWBXSA-N 1 0 248.351 2.013 20 30 BEEDRO CC1(C)C[C@]1(C)[NH2+]Cc1nc(C#N)cs1 ZINC000594994768 348167689 /nfs/dbraw/zinc/16/76/89/348167689.db2.gz GFMOSFTTWUDINY-NSHDSACASA-N 1 0 221.329 2.293 20 30 BEEDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000594993507 348167863 /nfs/dbraw/zinc/16/78/63/348167863.db2.gz ATRYRLSBILNEDT-SNVBAGLBSA-N 1 0 234.299 2.056 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C[S@](C)=O ZINC000595034492 348175839 /nfs/dbraw/zinc/17/58/39/348175839.db2.gz WCSJFSCDRBGPBM-FOCJUVANSA-N 1 0 243.416 2.478 20 30 BEEDRO CC1(C)C[C@@H]([NH2+]CCc2ccc(C#N)cc2)CO1 ZINC000595056939 348182943 /nfs/dbraw/zinc/18/29/43/348182943.db2.gz UCRMHXYLKUUGQL-CQSZACIVSA-N 1 0 244.338 2.258 20 30 BEEDRO C[C@@H]([NH2+]CCc1ccc(C#N)cc1)[C@H]1CCOC1 ZINC000595057893 348182968 /nfs/dbraw/zinc/18/29/68/348182968.db2.gz YHNUJYZMPXJWTG-DOMZBBRYSA-N 1 0 244.338 2.115 20 30 BEEDRO CC[C@H](COCC1CC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595056576 348183344 /nfs/dbraw/zinc/18/33/44/348183344.db2.gz MJWUOGKPENXQNT-BFHYXJOUSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCSCC[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595059150 348184038 /nfs/dbraw/zinc/18/40/38/348184038.db2.gz LTCBIEMJAYENCF-STQMWFEESA-N 1 0 242.432 2.368 20 30 BEEDRO C=CCCSCC[NH2+][C@H](CC)COC ZINC000595060571 348184505 /nfs/dbraw/zinc/18/45/05/348184505.db2.gz VPXQYTLSWBFCHT-LLVKDONJSA-N 1 0 217.378 2.310 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](CC)COC ZINC000595060572 348184703 /nfs/dbraw/zinc/18/47/03/348184703.db2.gz VPXQYTLSWBFCHT-NSHDSACASA-N 1 0 217.378 2.310 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000595065447 348186765 /nfs/dbraw/zinc/18/67/65/348186765.db2.gz DVVFLGFXVAKUPA-RNJOBUHISA-N 1 0 222.332 2.226 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000595065448 348186863 /nfs/dbraw/zinc/18/68/63/348186863.db2.gz DVVFLGFXVAKUPA-YVECIDJPSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H]([NH2+]C/C=C\CO)c1ccc(C#N)cc1 ZINC000595067608 348187293 /nfs/dbraw/zinc/18/72/93/348187293.db2.gz GXJJGDOXNKCYFX-VQTKUKTRSA-N 1 0 230.311 2.147 20 30 BEEDRO CC(C)C[C@@H](CO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000595072455 348188954 /nfs/dbraw/zinc/18/89/54/348188954.db2.gz IFGPWUXZVWIZNU-UPJWGTAASA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@H]1CCOC1 ZINC000595090003 348190940 /nfs/dbraw/zinc/19/09/40/348190940.db2.gz BOVSESULUOYBFO-OLZOCXBDSA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCCC1)[C@@H]1CCOC1 ZINC000595090002 348191023 /nfs/dbraw/zinc/19/10/23/348191023.db2.gz BOVSESULUOYBFO-CHWSQXEVSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCc2ccco2)C1 ZINC000595094024 348192742 /nfs/dbraw/zinc/19/27/42/348192742.db2.gz 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C[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H](C)O1 ZINC000595780685 348338698 /nfs/dbraw/zinc/33/86/98/348338698.db2.gz KSDGYLDMNVNKBV-MROQNXINSA-N 1 0 222.332 2.178 20 30 BEEDRO C[C@H]1C[NH+](Cc2ccccc2C#N)C[C@H](C)C1O ZINC000595744369 348339405 /nfs/dbraw/zinc/33/94/05/348339405.db2.gz WTXHTXLDSORUDJ-RYUDHWBXSA-N 1 0 244.338 2.007 20 30 BEEDRO CCN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)[C@H](C)C#N ZINC000595817465 348343940 /nfs/dbraw/zinc/34/39/40/348343940.db2.gz JIOQWPDBUNNEII-MGPQQGTHSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H]1CC[N@H+](CCC(C)(C)C#N)C[C@H](C)O1 ZINC000595782399 348345183 /nfs/dbraw/zinc/34/51/83/348345183.db2.gz ZJKOVOQLMFMGKM-NEPJUHHUSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC2(COC2)C1 ZINC000595832704 348366709 /nfs/dbraw/zinc/36/67/09/348366709.db2.gz HOVSXRUJZCOTEK-LBPRGKRZSA-N 1 0 242.322 2.342 20 30 BEEDRO N#Cc1ccccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595832833 348366786 /nfs/dbraw/zinc/36/67/86/348366786.db2.gz 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348359465 /nfs/dbraw/zinc/35/94/65/348359465.db2.gz DGSASPPZWMUMBA-QWHCGFSZSA-N 1 0 239.359 2.474 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@]1(C)CO ZINC000595875139 348387315 /nfs/dbraw/zinc/38/73/15/348387315.db2.gz PRNKNCOMAGHKQU-OCCSQVGLSA-N 1 0 238.375 2.267 20 30 BEEDRO CCN(CCCC(=O)OC(C)(C)C)[C@@H](C)C#N ZINC000595820098 348361268 /nfs/dbraw/zinc/36/12/68/348361268.db2.gz JIADZIAHSJRJAK-NSHDSACASA-N 1 0 240.347 2.342 20 30 BEEDRO Cc1cc(NC[C@H](C)[N@H+](C)C2CC2)ncc1C#N ZINC001639423202 1172104145 /nfs/dbraw/zinc/10/41/45/1172104145.db2.gz XYFALJONDNVLAW-NSHDSACASA-N 1 0 244.342 2.156 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)s1 ZINC000595827830 348364486 /nfs/dbraw/zinc/36/44/86/348364486.db2.gz SHMSYXHJPOFXAZ-MNOVXSKESA-N 1 0 248.351 2.088 20 30 BEEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=C/C=C/C)CC1 ZINC000264309510 187397019 /nfs/dbraw/zinc/39/70/19/187397019.db2.gz AGILHMPXZGFHOD-YTXTXJHMSA-N 1 0 248.370 2.275 20 30 BEEDRO CC(C)(CO)CCC[NH2+]Cc1ccc(C#N)cc1 ZINC000266129680 187397928 /nfs/dbraw/zinc/39/79/28/187397928.db2.gz CMNBBKCNJQPANN-UHFFFAOYSA-N 1 0 246.354 2.447 20 30 BEEDRO C[N@@H+](Cc1ccncc1C#N)C[C@H]1CC1(C)C ZINC000595907608 348396980 /nfs/dbraw/zinc/39/69/80/348396980.db2.gz BWFSKWUQQPSRLY-CYBMUJFWSA-N 1 0 229.327 2.431 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CCCc1ccco1 ZINC000596045311 348428894 /nfs/dbraw/zinc/42/88/94/348428894.db2.gz BPVCEWZIRJZMOJ-LBPRGKRZSA-N 1 0 231.299 2.245 20 30 BEEDRO CC1(C)[C@H](C[NH2+]C[C@@H](C#N)CCC#N)C1(F)F ZINC000596047371 348429646 /nfs/dbraw/zinc/42/96/46/348429646.db2.gz VFMAPQXZMFSXNC-ZJUUUORDSA-N 1 0 241.285 2.311 20 30 BEEDRO N#Cc1c(N[C@H]2CC[NH2+]C2)cccc1C(F)F ZINC000596014918 348430787 /nfs/dbraw/zinc/43/07/87/348430787.db2.gz WNWYXVFZEXZKCL-QMMMGPOBSA-N 1 0 237.253 2.270 20 30 BEEDRO C[C@@H]([NH2+]CCOCCF)c1ccc(C#N)cc1 ZINC000596052146 348433091 /nfs/dbraw/zinc/43/30/91/348433091.db2.gz SZQKYCPAJJEOIU-LLVKDONJSA-N 1 0 236.290 2.195 20 30 BEEDRO CO[C@@H](C[NH2+]CCC#N)C1CCCCC1 ZINC000596065903 348436742 /nfs/dbraw/zinc/43/67/42/348436742.db2.gz KHGJXPFJDHJBJE-LBPRGKRZSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)cc1C ZINC000303550485 490166967 /nfs/dbraw/zinc/16/69/67/490166967.db2.gz KLTUJHCTLGXKHR-UHFFFAOYSA-N 1 0 223.291 2.426 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1nc(C#N)ccc1C ZINC000596090931 348444201 /nfs/dbraw/zinc/44/42/01/348444201.db2.gz ZPMPVAZPOWERCV-GFCCVEGCSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](O)CCC)C1CC1 ZINC000121141707 348463609 /nfs/dbraw/zinc/46/36/09/348463609.db2.gz FHBHXPFPTMEBQZ-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO N#C[C@@]1(F)CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000596205151 348466049 /nfs/dbraw/zinc/46/60/49/348466049.db2.gz ZUFCIIMJQVLTMM-LBPRGKRZSA-N 1 0 230.246 2.005 20 30 BEEDRO C#CCC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000268726536 187398466 /nfs/dbraw/zinc/39/84/66/187398466.db2.gz PMKZLGHEQVXGEY-UHFFFAOYSA-N 1 0 242.366 2.218 20 30 BEEDRO Cc1ccnc(N[C@@H](C)C[N@H+](C)C(C)C)c1C#N ZINC000357579457 179455388 /nfs/dbraw/zinc/45/53/88/179455388.db2.gz KBUXEMGUQDQGFH-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO Cc1ccc(C#N)nc1N[C@@H](C)C[N@H+](C)C(C)C ZINC000596236837 348482777 /nfs/dbraw/zinc/48/27/77/348482777.db2.gz MQEIHSWRLFHLDD-LBPRGKRZSA-N 1 0 246.358 2.402 20 30 BEEDRO Cc1nsc(N[C@@H](C)c2nccn2C)c1C#N ZINC000596544128 348584317 /nfs/dbraw/zinc/58/43/17/348584317.db2.gz YYHYUIMSYJYDLR-QMMMGPOBSA-N 1 0 247.327 2.230 20 30 BEEDRO Cc1cc(C#N)ccc1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000128495439 348587369 /nfs/dbraw/zinc/58/73/69/348587369.db2.gz XZJIJGRJQMOFBR-KGLIPLIRSA-N 1 0 244.338 2.116 20 30 BEEDRO C[C@@H]1CC[NH2+]CC[C@H]1NCC1(C#N)CCCCC1 ZINC000596654251 348607951 /nfs/dbraw/zinc/60/79/51/348607951.db2.gz ZGYOFKUGSJUBKK-ZIAGYGMSSA-N 1 0 249.402 2.438 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000596488936 348559760 /nfs/dbraw/zinc/55/97/60/348559760.db2.gz AQAPGBFQVPSBEG-DYEKYZERSA-N 1 0 232.327 2.043 20 30 BEEDRO C#CCC[N@H+]1CCc2ccc(F)cc2C1 ZINC000270560178 187399359 /nfs/dbraw/zinc/39/93/59/187399359.db2.gz XCTUKWIWUGRBCL-UHFFFAOYSA-N 1 0 203.260 2.207 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597046720 348652770 /nfs/dbraw/zinc/65/27/70/348652770.db2.gz JQJNTKMFFZVGRW-CABCVRRESA-N 1 0 242.322 2.215 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597046723 348652996 /nfs/dbraw/zinc/65/29/96/348652996.db2.gz JQJNTKMFFZVGRW-HUUCEWRRSA-N 1 0 242.322 2.215 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc(C)c(C(=O)OC)o1 ZINC000597058048 348654217 /nfs/dbraw/zinc/65/42/17/348654217.db2.gz SQRPPKMTOZGOAA-SNVBAGLBSA-N 1 0 237.299 2.429 20 30 BEEDRO CC[C@@H](CC#N)NCc1c(C2CC2)cnn1C ZINC000597086345 348655839 /nfs/dbraw/zinc/65/58/39/348655839.db2.gz LCGRUTHWCUHURA-NSHDSACASA-N 1 0 232.331 2.079 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CSCCF ZINC000597087299 348656550 /nfs/dbraw/zinc/65/65/50/348656550.db2.gz SQBUJKSDBGOQIQ-VHSXEESVSA-N 1 0 218.341 2.359 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C1CC(CF)(CF)C1 ZINC000597087570 348656935 /nfs/dbraw/zinc/65/69/35/348656935.db2.gz TVUOVBMNPSGCOD-VIFPVBQESA-N 1 0 216.275 2.356 20 30 BEEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CSCCF ZINC000597087301 348657043 /nfs/dbraw/zinc/65/70/43/348657043.db2.gz SQBUJKSDBGOQIQ-ZJUUUORDSA-N 1 0 218.341 2.359 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)C1 ZINC000597137647 348661402 /nfs/dbraw/zinc/66/14/02/348661402.db2.gz WCIOTGYAZHZZHB-PYJNHQTQSA-N 1 0 234.343 2.226 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000535852455 323193547 /nfs/dbraw/zinc/19/35/47/323193547.db2.gz YVZWYTMIJMJGHZ-UHFFFAOYSA-N 1 0 222.288 2.008 20 30 BEEDRO CC#CC[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000272525762 187399847 /nfs/dbraw/zinc/39/98/47/187399847.db2.gz HXTRWKYJHUXMTH-AWEZNQCLSA-N 1 0 229.323 2.411 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CC[C@H](C#N)C2)CCOCC1 ZINC000597204695 348678320 /nfs/dbraw/zinc/67/83/20/348678320.db2.gz DHOIWBUAPLDIEQ-QWHCGFSZSA-N 1 0 234.343 2.394 20 30 BEEDRO C=CCC[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000597185663 348683970 /nfs/dbraw/zinc/68/39/70/348683970.db2.gz ZXLCFFAORHDYHN-VWYCJHECSA-N 1 0 215.362 2.061 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C(=O)OC)C2)C1 ZINC000597242573 348686682 /nfs/dbraw/zinc/68/66/82/348686682.db2.gz CFINHUMVNGDCBQ-CYDGBPFRSA-N 1 0 237.343 2.272 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000273207482 187399977 /nfs/dbraw/zinc/39/99/77/187399977.db2.gz KUAFVSKCKRSFBY-VIFPVBQESA-N 1 0 232.755 2.022 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H](C(=O)OC)C1 ZINC000597220983 348691751 /nfs/dbraw/zinc/69/17/51/348691751.db2.gz KLTJPYSPVXJTNL-SDDRHHMPSA-N 1 0 225.332 2.272 20 30 BEEDRO C[C@]1(C#N)CCN(Cc2ccc(O)cc2)C1 ZINC000597233193 348700668 /nfs/dbraw/zinc/70/06/68/348700668.db2.gz ZYCCITONNGZTEC-CYBMUJFWSA-N 1 0 216.284 2.128 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)C1(CO)CCC1 ZINC000597257005 348710503 /nfs/dbraw/zinc/71/05/03/348710503.db2.gz ZPUWSWCLRIZFAW-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000264480141 192373395 /nfs/dbraw/zinc/37/33/95/192373395.db2.gz PVJLKTZVWIBYJH-OAHLLOKOSA-N 1 0 231.339 2.242 20 30 BEEDRO CC#CC[N@H+](C)[C@@H](CCO)c1ccccc1 ZINC000266599434 192373680 /nfs/dbraw/zinc/37/36/80/192373680.db2.gz PORYACJEOKPCAU-AWEZNQCLSA-N 1 0 217.312 2.065 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(F)c(F)cc1F ZINC000184267681 348755525 /nfs/dbraw/zinc/75/55/25/348755525.db2.gz SOWOAHKUFDKPNY-SECBINFHSA-N 1 0 245.244 2.131 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)ccc1F ZINC000184269752 348756667 /nfs/dbraw/zinc/75/66/67/348756667.db2.gz ZNAWVLFCXUIVDT-GFCCVEGCSA-N 1 0 223.291 2.161 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cccc2[nH]ccc21 ZINC000184285261 348816466 /nfs/dbraw/zinc/81/64/66/348816466.db2.gz QVZIOKZUOFOWTE-GFCCVEGCSA-N 1 0 230.311 2.195 20 30 BEEDRO COC1(C[N@H+](C)CC(C)(C)C#N)CCCC1 ZINC000354019133 348819914 /nfs/dbraw/zinc/81/99/14/348819914.db2.gz URPPIBJWQNOJFI-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCc2occc21 ZINC000303964543 490194518 /nfs/dbraw/zinc/19/45/18/490194518.db2.gz MNPUFAXQBJGHGR-GFCCVEGCSA-N 1 0 221.300 2.449 20 30 BEEDRO C=CCCCCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000236556239 490200412 /nfs/dbraw/zinc/20/04/12/490200412.db2.gz WSEVLVYOBVVGOM-SECBINFHSA-N 1 0 225.254 2.246 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000598622543 349002644 /nfs/dbraw/zinc/00/26/44/349002644.db2.gz QFFHHIMJLHBQRV-NDBYEHHHSA-N 1 0 236.359 2.065 20 30 BEEDRO C[C@@H]1CC(C)(C)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598622588 349002712 /nfs/dbraw/zinc/00/27/12/349002712.db2.gz QWZHWFSKMONADR-NEPJUHHUSA-N 1 0 238.375 2.408 20 30 BEEDRO CCC1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598585996 348994543 /nfs/dbraw/zinc/99/45/43/348994543.db2.gz MYXXTFZRKOBHPJ-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000598591315 348997358 /nfs/dbraw/zinc/99/73/58/348997358.db2.gz ZDRGBHIYSFIXQS-OLZOCXBDSA-N 1 0 236.359 2.162 20 30 BEEDRO CC[C@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590291 348997493 /nfs/dbraw/zinc/99/74/93/348997493.db2.gz OSDSQBFBHWSNKT-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO CC[C@@H]1CCC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598590289 348997655 /nfs/dbraw/zinc/99/76/55/348997655.db2.gz OSDSQBFBHWSNKT-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000598591317 348997743 /nfs/dbraw/zinc/99/77/43/348997743.db2.gz ZDRGBHIYSFIXQS-STQMWFEESA-N 1 0 236.359 2.162 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598593860 348998379 /nfs/dbraw/zinc/99/83/79/348998379.db2.gz XPEAEGJHWPOISM-VXGBXAGGSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598593882 348998395 /nfs/dbraw/zinc/99/83/95/348998395.db2.gz XXAJZRRNBSGEGQ-STQMWFEESA-N 1 0 238.375 2.265 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000598592892 348998512 /nfs/dbraw/zinc/99/85/12/348998512.db2.gz MVFMZKVNSITRSL-AVGNSLFASA-N 1 0 236.359 2.019 20 30 BEEDRO N#CCCN1CCC[C@@H]1c1ccc(O)cc1 ZINC000365132800 348951347 /nfs/dbraw/zinc/95/13/47/348951347.db2.gz IMFSOYXDWDIPIR-CYBMUJFWSA-N 1 0 216.284 2.443 20 30 BEEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1CCC1 ZINC000598612540 349000470 /nfs/dbraw/zinc/00/04/70/349000470.db2.gz WLAXOPYASIPDTR-CYBMUJFWSA-N 1 0 238.375 2.409 20 30 BEEDRO Cc1cc(C)c(NC(=O)[C@H](C)CC#N)c(C)n1 ZINC000598805251 349046784 /nfs/dbraw/zinc/04/67/84/349046784.db2.gz VRCSFMCATDPOOZ-MRVPVSSYSA-N 1 0 231.299 2.495 20 30 BEEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598609668 349007255 /nfs/dbraw/zinc/00/72/55/349007255.db2.gz UFZVYVSKFWHMOH-RWMBFGLXSA-N 1 0 238.375 2.408 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C[C@@H]1CO ZINC000598645908 349010532 /nfs/dbraw/zinc/01/05/32/349010532.db2.gz QDSRQXIQQOCNDJ-IUODEOHRSA-N 1 0 244.338 2.009 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(F)(F)C2)C1 ZINC000308879597 349016659 /nfs/dbraw/zinc/01/66/59/349016659.db2.gz PIDOGYJTMCTZMD-OPRDCNLKSA-N 1 0 214.259 2.456 20 30 BEEDRO CC#CCN1CCN([C@@H](C)c2ccsc2)CC1 ZINC000160512099 349019403 /nfs/dbraw/zinc/01/94/03/349019403.db2.gz BGGATIIGKNARMX-ZDUSSCGKSA-N 1 0 248.395 2.450 20 30 BEEDRO C[C@H]1CC[N@H+](CC(C)(C)CCC#N)C[C@@H]1CO ZINC000598678094 349021209 /nfs/dbraw/zinc/02/12/09/349021209.db2.gz WTANLGAIYOQJSM-QWHCGFSZSA-N 1 0 238.375 2.267 20 30 BEEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598702600 349022539 /nfs/dbraw/zinc/02/25/39/349022539.db2.gz VZCHQLQJJCIKOX-NEPJUHHUSA-N 1 0 224.348 2.017 20 30 BEEDRO CCC1(C)C[NH+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598707866 349023573 /nfs/dbraw/zinc/02/35/73/349023573.db2.gz ZSSFUIJREUBOOG-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO CSCCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719339 349027135 /nfs/dbraw/zinc/02/71/35/349027135.db2.gz JJIRLUGOEGQFAL-LLVKDONJSA-N 1 0 244.404 2.020 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(C2CC2)CC1 ZINC000598722589 349028235 /nfs/dbraw/zinc/02/82/35/349028235.db2.gz BIXDUPAINUWKLA-LBPRGKRZSA-N 1 0 236.359 2.067 20 30 BEEDRO CC[C@@H](CSC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598723656 349028800 /nfs/dbraw/zinc/02/88/00/349028800.db2.gz JIZFGBGTAYHCRQ-QWRGUYRKSA-N 1 0 244.404 2.018 20 30 BEEDRO CCSCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725009 349029042 /nfs/dbraw/zinc/02/90/42/349029042.db2.gz SRNFUFKUBAPJET-LLVKDONJSA-N 1 0 244.404 2.020 20 30 BEEDRO C[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725179 349029425 /nfs/dbraw/zinc/02/94/25/349029425.db2.gz VANYAYWVSFHUDP-JHJVBQTASA-N 1 0 238.375 2.313 20 30 BEEDRO CC(C)C1(C[NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598726020 349029450 /nfs/dbraw/zinc/02/94/50/349029450.db2.gz QLZVCWXUKVECBJ-GFCCVEGCSA-N 1 0 238.375 2.313 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598729338 349031275 /nfs/dbraw/zinc/03/12/75/349031275.db2.gz ILZSWCKPVHMMLK-STQMWFEESA-N 1 0 238.375 2.311 20 30 BEEDRO C[C@H]1C[C@@H]([NH2+]CC(C)(C)CCC#N)CO1 ZINC000401992930 349074855 /nfs/dbraw/zinc/07/48/55/349074855.db2.gz LNLFYHKBSKTDRA-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CCC(CC)[NH2+]CCNc1nccc(C)c1C#N ZINC000599097734 349092729 /nfs/dbraw/zinc/09/27/29/349092729.db2.gz MBABPWOELHLNPW-UHFFFAOYSA-N 1 0 246.358 2.452 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C1CC(F)(F)C1 ZINC000628302320 349093260 /nfs/dbraw/zinc/09/32/60/349093260.db2.gz YUZFOZZPPPOZBA-MWLCHTKSSA-N 1 0 233.302 2.337 20 30 BEEDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc(C#N)o1 ZINC000308910169 349058646 /nfs/dbraw/zinc/05/86/46/349058646.db2.gz GABCJUBMOCAIRR-KWQFWETISA-N 1 0 222.313 2.135 20 30 BEEDRO Cc1ccc(C[N@@H+](C)CC[C@H](C)O)cc1C#N ZINC000599299563 349141466 /nfs/dbraw/zinc/14/14/66/349141466.db2.gz HPZNFLDFMVXVOH-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1C#N ZINC000599308565 349144258 /nfs/dbraw/zinc/14/42/58/349144258.db2.gz SOKVCKYJYNUBOF-AWEZNQCLSA-N 1 0 244.338 2.335 20 30 BEEDRO CC[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@H]1O ZINC000599339287 349152300 /nfs/dbraw/zinc/15/23/00/349152300.db2.gz MKPGQIFFRXZWLL-UKRRQHHQSA-N 1 0 244.338 2.069 20 30 BEEDRO Cc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1C#N ZINC000599440298 349178617 /nfs/dbraw/zinc/17/86/17/349178617.db2.gz JDCVXECECGGATQ-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO Cc1ccc(C[N@H+]2CCCOC[C@H]2C)cc1C#N ZINC000599334149 349157854 /nfs/dbraw/zinc/15/78/54/349157854.db2.gz CKKRSUMENZQIOI-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO CCO[C@H](C[NH+]1CCC(CC#N)CC1)C1CC1 ZINC000599357849 349159308 /nfs/dbraw/zinc/15/93/08/349159308.db2.gz XGZKSNKEXFPKJV-CQSZACIVSA-N 1 0 236.359 2.427 20 30 BEEDRO CCO[C@@H](C[N@@H+]1CCC[C@](C)(C#N)C1)C1CC1 ZINC000599361518 349160076 /nfs/dbraw/zinc/16/00/76/349160076.db2.gz IQSUVOQXFIVTOC-UONOGXRCSA-N 1 0 236.359 2.427 20 30 BEEDRO Cc1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1C#N ZINC000599370810 349161803 /nfs/dbraw/zinc/16/18/03/349161803.db2.gz LAHDEFOSBVMLKA-NSHDSACASA-N 1 0 240.310 2.441 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccncc1Cl ZINC000421843974 192393800 /nfs/dbraw/zinc/39/38/00/192393800.db2.gz SCOONROEFRQDLA-UWVGGRQHSA-N 1 0 240.734 2.323 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000599526067 349207976 /nfs/dbraw/zinc/20/79/76/349207976.db2.gz CWPKSZZKZQFHJI-GFCCVEGCSA-N 1 0 227.311 2.351 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)OC(C)C)C1 ZINC000599526866 349208429 /nfs/dbraw/zinc/20/84/29/349208429.db2.gz VHZQMJWGQHPLQO-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=CC[C@@H]1CC[N@H+](Cc2ccncc2C#N)C1 ZINC000599529279 349209174 /nfs/dbraw/zinc/20/91/74/349209174.db2.gz LQQPPJPMJSKKNC-GFCCVEGCSA-N 1 0 227.311 2.351 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](CC2(CC(=O)OC)CC2)C1 ZINC000599530390 349209211 /nfs/dbraw/zinc/20/92/11/349209211.db2.gz VVXBHFYSZYWTLP-GFCCVEGCSA-N 1 0 237.343 2.228 20 30 BEEDRO C=CC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599590741 349221668 /nfs/dbraw/zinc/22/16/68/349221668.db2.gz YHACOWQLPOAJMV-VXGBXAGGSA-N 1 0 239.359 2.472 20 30 BEEDRO CC1(C)CCC[C@@](CO)([NH2+]CCCC#N)C1 ZINC000599595835 349222498 /nfs/dbraw/zinc/22/24/98/349222498.db2.gz QLRZMZPWFJIQLB-CYBMUJFWSA-N 1 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BYYVENSCKALDGC-UHFFFAOYSA-N 1 0 200.351 2.365 20 30 BEEDRO C[C@@H](C#N)C[N@H+](CCCCC#N)C1CC1 ZINC000336646263 350415629 /nfs/dbraw/zinc/41/56/29/350415629.db2.gz JZTHDZUGFZBTTK-NSHDSACASA-N 1 0 205.305 2.304 20 30 BEEDRO C=C(C)C[NH+](C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000336649244 350418222 /nfs/dbraw/zinc/41/82/22/350418222.db2.gz QQEPHNNDDHHCGW-STQMWFEESA-N 1 0 210.365 2.367 20 30 BEEDRO C=CC1CC[NH+](CCn2cc(C)cn2)CC1 ZINC000336664593 350425752 /nfs/dbraw/zinc/42/57/52/350425752.db2.gz FREWKVFMZSLICX-UHFFFAOYSA-N 1 0 219.332 2.090 20 30 BEEDRO CC(C)[N@@H+](CCCC(C)(C)C#N)C[C@H](C)O ZINC000336661407 350429345 /nfs/dbraw/zinc/42/93/45/350429345.db2.gz BOZGUNCMKBDGQN-LBPRGKRZSA-N 1 0 226.364 2.408 20 30 BEEDRO CC#CCC[N@H+]1CCC[C@@H](CSC)C1 ZINC000336693150 350449092 /nfs/dbraw/zinc/44/90/92/350449092.db2.gz QYONLQBARBOVFU-GFCCVEGCSA-N 1 0 211.374 2.475 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(C)n(C)n2)CC1 ZINC000336701021 350457335 /nfs/dbraw/zinc/45/73/35/350457335.db2.gz LUODMKIWDWRWLT-UHFFFAOYSA-N 1 0 219.332 2.127 20 30 BEEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1CCCOC1 ZINC000336709162 350461815 /nfs/dbraw/zinc/46/18/15/350461815.db2.gz WAIIVWUFSITFSY-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCN(CCOC)Cc1cncc(Cl)c1 ZINC000621286060 350516735 /nfs/dbraw/zinc/51/67/35/350516735.db2.gz WQTLGGFYSNTBNX-UHFFFAOYSA-N 1 0 240.734 2.369 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1nc(C)ccc1O ZINC000158993191 191107258 /nfs/dbraw/zinc/10/72/58/191107258.db2.gz KSFVXZIBLLQFJO-UHFFFAOYSA-N 1 0 220.316 2.494 20 30 BEEDRO C=CC[N@@H+](C)Cc1c(C)cc(OC)nc1C ZINC000428401874 191107817 /nfs/dbraw/zinc/10/78/17/191107817.db2.gz NJNNPGMPAJSPLU-UHFFFAOYSA-N 1 0 220.316 2.325 20 30 BEEDRO CC[C@@H](O)CC[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443994387 191111195 /nfs/dbraw/zinc/11/11/95/191111195.db2.gz OSHXSNZUBZMZTD-CQSZACIVSA-N 1 0 232.327 2.117 20 30 BEEDRO C=CCC[NH+]1CCN(C(=O)CC(C)(C)C)CC1 ZINC000606896268 350621613 /nfs/dbraw/zinc/62/16/13/350621613.db2.gz DFYZDYWDWQOSRL-UHFFFAOYSA-N 1 0 238.375 2.143 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000618575400 350614124 /nfs/dbraw/zinc/61/41/24/350614124.db2.gz GGUYWZIFWVTEBO-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO CC(C)[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000164543219 191120537 /nfs/dbraw/zinc/12/05/37/191120537.db2.gz HGMFLRISUCDPCU-SMDDNHRTSA-N 1 0 232.327 2.226 20 30 BEEDRO C[N@H+](CCOc1cccc(C#N)c1)C1CC1 ZINC000034674466 350736250 /nfs/dbraw/zinc/73/62/50/350736250.db2.gz ZSDFLWJVYWZKJA-UHFFFAOYSA-N 1 0 216.284 2.031 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CCCO1 ZINC000309553812 350775560 /nfs/dbraw/zinc/77/55/60/350775560.db2.gz JBKKIYPHSKSBBV-RYUDHWBXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[N@@H+](CC)C1CC1 ZINC000628314939 350842602 /nfs/dbraw/zinc/84/26/02/350842602.db2.gz SLNRDVCKOYVEAI-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO CSC[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000336681959 350905434 /nfs/dbraw/zinc/90/54/34/350905434.db2.gz HWTNAVJVBPVLAR-NSHDSACASA-N 1 0 212.362 2.365 20 30 BEEDRO CC(C)COCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336682595 350907368 /nfs/dbraw/zinc/90/73/68/350907368.db2.gz RYNZLPGUYWDRAO-STQMWFEESA-N 1 0 224.348 2.331 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](CO)C1CC1)C1CC1 ZINC000336683307 350911205 /nfs/dbraw/zinc/91/12/05/350911205.db2.gz QCHURRCLHSOZLY-KGLIPLIRSA-N 1 0 223.360 2.339 20 30 BEEDRO COCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397580191 350930795 /nfs/dbraw/zinc/93/07/95/350930795.db2.gz FOMYDOIGQYKOCP-LBPRGKRZSA-N 1 0 210.321 2.039 20 30 BEEDRO N#CC[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC000397692591 350961191 /nfs/dbraw/zinc/96/11/91/350961191.db2.gz XURFWSBKPSLLLS-CYBMUJFWSA-N 1 0 244.338 2.305 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000336690021 350976573 /nfs/dbraw/zinc/97/65/73/350976573.db2.gz KIWFVTFXHAOFMT-YNEHKIRRSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(F)cc(F)c1 ZINC000289925088 350994556 /nfs/dbraw/zinc/99/45/56/350994556.db2.gz VECSYOQZUCEACO-PELKAZGASA-N 1 0 227.254 2.162 20 30 BEEDRO N#CCC1(C[NH+]2C[C@H]3CCC[C@@H]3C2)CC1 ZINC000159832339 351010167 /nfs/dbraw/zinc/01/01/67/351010167.db2.gz WGWMSSSDEJYBQP-VXGBXAGGSA-N 1 0 204.317 2.412 20 30 BEEDRO C=CC[N@@H+](C)CCOc1ccccc1OC ZINC000052451891 350947316 /nfs/dbraw/zinc/94/73/16/350947316.db2.gz YIIPSDMFHARATR-UHFFFAOYSA-N 1 0 221.300 2.192 20 30 BEEDRO C[C@]1(O)CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000230352450 351032689 /nfs/dbraw/zinc/03/26/89/351032689.db2.gz HHWUJLQIFAYZQQ-HNNXBMFYSA-N 1 0 244.338 2.295 20 30 BEEDRO N#CCCCC[NH2+]Cc1nc2c(s1)CCC2 ZINC000093067068 351039363 /nfs/dbraw/zinc/03/93/63/351039363.db2.gz HCGATAPGZIZWJA-UHFFFAOYSA-N 1 0 235.356 2.415 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(OC)cccc1OC ZINC000336699944 351043779 /nfs/dbraw/zinc/04/37/79/351043779.db2.gz NEIMUUNWZKJYGM-UHFFFAOYSA-N 1 0 221.300 2.370 20 30 BEEDRO C=CC(C)(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000628316651 351054442 /nfs/dbraw/zinc/05/44/42/351054442.db2.gz DJVFPYGBMRHCHP-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC1([NH2+]Cc2cnc(C)o2)CCOCC1 ZINC000628338123 351282192 /nfs/dbraw/zinc/28/21/92/351282192.db2.gz ADODFQZBFWMMPP-UHFFFAOYSA-N 1 0 236.315 2.198 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCc2ncccc21 ZINC000631634669 351321938 /nfs/dbraw/zinc/32/19/38/351321938.db2.gz ZRVMFHXBPRQYOH-SWLSCSKDSA-N 1 0 246.354 2.376 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(C)no1 ZINC000631126003 351336502 /nfs/dbraw/zinc/33/65/02/351336502.db2.gz KIBDHYLKDZBMAV-YPMHNXCESA-N 1 0 236.315 2.054 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000353402147 351395485 /nfs/dbraw/zinc/39/54/85/351395485.db2.gz JUTNLMUVXXMDOD-VXGBXAGGSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1csc(C)c1C ZINC000631177085 351341176 /nfs/dbraw/zinc/34/11/76/351341176.db2.gz KORLOXXSBPNCGC-LLVKDONJSA-N 1 0 211.330 2.001 20 30 BEEDRO Cc1cc(OCC[C@H]2CC[NH2+]C2)ccc1C#N ZINC000122486220 363025986 /nfs/dbraw/zinc/02/59/86/363025986.db2.gz ZGIAKAIJHUPEFR-GFCCVEGCSA-N 1 0 230.311 2.245 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1nc(C)c[nH]1 ZINC000623593027 363027967 /nfs/dbraw/zinc/02/79/67/363027967.db2.gz POWAWTLGMFLTLM-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C=CC(C)(C)CC[NH2+]CC1(OC)CCOCC1 ZINC000623592969 363028160 /nfs/dbraw/zinc/02/81/60/363028160.db2.gz MKEVKWZSXCGKIH-UHFFFAOYSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1nccn1C ZINC000623592938 363028214 /nfs/dbraw/zinc/02/82/14/363028214.db2.gz KIWBIRLTSAHODR-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO C=CC(C)(C)CC[NH2+]Cc1ccnn1C ZINC000623592598 363028871 /nfs/dbraw/zinc/02/88/71/363028871.db2.gz UDKFOHPFMCNEIE-UHFFFAOYSA-N 1 0 207.321 2.112 20 30 BEEDRO CC[C@@H](CC#N)NCC[N@H+](C)Cc1ccccc1 ZINC000386698513 363030561 /nfs/dbraw/zinc/03/05/61/363030561.db2.gz MHIHYSNWMJCSRI-HNNXBMFYSA-N 1 0 245.370 2.400 20 30 BEEDRO Cc1nc(CCN(C)C[C@H](C)C#N)cs1 ZINC000271344903 351412556 /nfs/dbraw/zinc/41/25/56/351412556.db2.gz XQKROLRUUCRWQV-SECBINFHSA-N 1 0 223.345 2.086 20 30 BEEDRO N#CCC1(C[N@@H+]2CCOCC23CCCC3)CC1 ZINC000388819370 363032884 /nfs/dbraw/zinc/03/28/84/363032884.db2.gz TUJUDTBRGKCODE-UHFFFAOYSA-N 1 0 234.343 2.325 20 30 BEEDRO CCC(N)=[NH+]OCCCc1ccccc1OC ZINC000272473807 351479138 /nfs/dbraw/zinc/47/91/38/351479138.db2.gz XOTYPDYIBIVWIO-UHFFFAOYSA-N 1 0 236.315 2.327 20 30 BEEDRO Cc1cc(C)cc(CCNC(=[NH2+])N(C)C2CC2)c1 ZINC000273358987 351523119 /nfs/dbraw/zinc/52/31/19/351523119.db2.gz SGNPSSPAMMWDTP-UHFFFAOYSA-N 1 0 245.370 2.255 20 30 BEEDRO Cc1cc(C)cc(NC(=[NH2+])NCCOC(C)C)c1 ZINC000273500087 351533143 /nfs/dbraw/zinc/53/31/43/351533143.db2.gz PDPWWWKIJJVBMS-UHFFFAOYSA-N 1 0 249.358 2.455 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H](O)C(F)(F)F ZINC000336730654 351612830 /nfs/dbraw/zinc/61/28/30/351612830.db2.gz DTSBZQBHTAOGGF-IVZWLZJFSA-N 1 0 239.281 2.490 20 30 BEEDRO C[C@@H](CCC#N)[N@H+](C)CCc1nccs1 ZINC000276288044 351614915 /nfs/dbraw/zinc/61/49/15/351614915.db2.gz HCYLPQQTFGBYMQ-JTQLQIEISA-N 1 0 223.345 2.310 20 30 BEEDRO C=CC[NH+](CC=C)C[C@](C)(OC)C1CC1 ZINC000637833789 351684124 /nfs/dbraw/zinc/68/41/24/351684124.db2.gz XAGWKOXIXRWYHH-ZDUSSCGKSA-N 1 0 209.333 2.476 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CCCCCC1 ZINC000336732648 351670498 /nfs/dbraw/zinc/67/04/98/351670498.db2.gz LSYUOLKUCINWGN-GFCCVEGCSA-N 1 0 211.349 2.483 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCNc2ccccn2)C1 ZINC000278150478 351747956 /nfs/dbraw/zinc/74/79/56/351747956.db2.gz ACUQPBQNEGQPRQ-QWHCGFSZSA-N 1 0 244.342 2.165 20 30 BEEDRO C=CCC[NH2+][C@H]1CCCCC[C@H]1C(=O)OC ZINC000162512799 323623886 /nfs/dbraw/zinc/62/38/86/323623886.db2.gz JTFJADFQLLDIMD-NEPJUHHUSA-N 1 0 225.332 2.274 20 30 BEEDRO COC[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000178030629 366079606 /nfs/dbraw/zinc/07/96/06/366079606.db2.gz CIWGTQZKDDDQKT-LBPRGKRZSA-N 1 0 232.327 2.273 20 30 BEEDRO Cn1cc(C[NH2+]CCCC(C)(F)F)cc1C#N ZINC000296127456 180649493 /nfs/dbraw/zinc/64/94/93/180649493.db2.gz UGFZUFYCIOTOJZ-UHFFFAOYSA-N 1 0 241.285 2.422 20 30 BEEDRO Cn1cc(C[NH2+][C@@H]2CC=CCC2)cc1C#N ZINC000189595612 180651119 /nfs/dbraw/zinc/65/11/19/180651119.db2.gz ITLNREGYUKJEJR-GFCCVEGCSA-N 1 0 215.300 2.095 20 30 BEEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H](c2ccccc2)C1 ZINC000280482831 351846365 /nfs/dbraw/zinc/84/63/65/351846365.db2.gz ASFAGKHVAQYPSE-HDJSIYSDSA-N 1 0 243.354 2.413 20 30 BEEDRO C[C@@H]([NH2+]CC1CCC(C#N)CC1)c1cnccn1 ZINC000282243345 351928189 /nfs/dbraw/zinc/92/81/89/351928189.db2.gz FXHHJYYTQOHYCY-PNESKVBLSA-N 1 0 244.342 2.457 20 30 BEEDRO C[C@H]([NH2+]CC1CCC(C#N)CC1)c1cnn(C)c1 ZINC000282336936 351930517 /nfs/dbraw/zinc/93/05/17/351930517.db2.gz OMIFMJFHYLBMMA-HIFPTAJRSA-N 1 0 246.358 2.401 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@@H]1CCOC1 ZINC000405137378 351898027 /nfs/dbraw/zinc/89/80/27/351898027.db2.gz RETLJYXSMGAXRL-VXGBXAGGSA-N 1 0 222.332 2.085 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCCC1)[C@H]1CCOC1 ZINC000405137373 351898392 /nfs/dbraw/zinc/89/83/92/351898392.db2.gz RETLJYXSMGAXRL-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO C=C1CC[NH+](C[C@](C)(OC)C2CC2)CC1 ZINC000638032118 351914222 /nfs/dbraw/zinc/91/42/22/351914222.db2.gz MJTYNROIGTWHCI-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO CCC[C@@H](C[NH2+]CC1(C#N)CCCC1)OC ZINC000405149232 351959098 /nfs/dbraw/zinc/95/90/98/351959098.db2.gz CTCOAABXZFLSKJ-LBPRGKRZSA-N 1 0 224.348 2.475 20 30 BEEDRO C#CC[N@@H+](CCCF)Cc1ccccc1 ZINC000285526903 352048060 /nfs/dbraw/zinc/04/80/60/352048060.db2.gz FDGKSRJUFYCRPA-UHFFFAOYSA-N 1 0 205.276 2.481 20 30 BEEDRO C#CCCC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000285665337 352054906 /nfs/dbraw/zinc/05/49/06/352054906.db2.gz ZJLCEZXWCYIUMR-UHFFFAOYSA-N 1 0 231.295 2.000 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N1C[C@H](C)C[C@@H](C)C1 ZINC000073103545 352055685 /nfs/dbraw/zinc/05/56/85/352055685.db2.gz CPYFYBTVVSELQE-VXGBXAGGSA-N 1 0 249.358 2.333 20 30 BEEDRO CC(C)[C@@H](CNC1=[NH+]CCN1C)c1ccccc1 ZINC000285156276 352025782 /nfs/dbraw/zinc/02/57/82/352025782.db2.gz SDQSFEGBUCYYGJ-CQSZACIVSA-N 1 0 245.370 2.317 20 30 BEEDRO CC(C)C(N)=[NH+]OCC[C@@H](O)c1ccccc1 ZINC000285179096 352027137 /nfs/dbraw/zinc/02/71/37/352027137.db2.gz NTBKFCRWGUCDDS-GFCCVEGCSA-N 1 0 236.315 2.055 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1C[C@@H](C)CCC#N ZINC000618887576 352159752 /nfs/dbraw/zinc/15/97/52/352159752.db2.gz FQEBLTWBXGFJTR-STQMWFEESA-N 1 0 224.348 2.163 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]1C[C@H](C)CCC#N ZINC000618887571 352159771 /nfs/dbraw/zinc/15/97/71/352159771.db2.gz FQEBLTWBXGFJTR-CHWSQXEVSA-N 1 0 224.348 2.163 20 30 BEEDRO CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)CCC#N)C1 ZINC000618887640 352161124 /nfs/dbraw/zinc/16/11/24/352161124.db2.gz CZWRAUDTRUNQKX-KGLIPLIRSA-N 1 0 237.391 2.200 20 30 BEEDRO COC[C@@H]1CCC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000618888189 352165685 /nfs/dbraw/zinc/16/56/85/352165685.db2.gz NXUDQYRQWMMFPZ-QWHCGFSZSA-N 1 0 224.348 2.285 20 30 BEEDRO CC(C)[C@H]1CN(C)CC[N@H+]1C[C@H](C)CCC#N ZINC000618888217 352165854 /nfs/dbraw/zinc/16/58/54/352165854.db2.gz ULVSKIIFFOZZDE-ZIAGYGMSSA-N 1 0 237.391 2.198 20 30 BEEDRO C[C@@H](CCC#N)C[N@H+](C)CCc1ccncc1 ZINC000618888409 352166307 /nfs/dbraw/zinc/16/63/07/352166307.db2.gz XJJJUTVNCMUNDV-ZDUSSCGKSA-N 1 0 231.343 2.496 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)Cc2cnn(C)c2)cc1 ZINC000289122967 352172379 /nfs/dbraw/zinc/17/23/79/352172379.db2.gz NWUNSCZIZYOTTL-UHFFFAOYSA-N 1 0 239.322 2.033 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC(O)(CC)CC)cc1 ZINC000289201756 352175194 /nfs/dbraw/zinc/17/51/94/352175194.db2.gz HRMMYBRFMRGKBM-UHFFFAOYSA-N 1 0 231.339 2.309 20 30 BEEDRO C=C(C)CN(CC)[C@H](C)c1nnc(C)[nH]1 ZINC000411158441 191162681 /nfs/dbraw/zinc/16/26/81/191162681.db2.gz TWLAGIQJGSPFSN-SECBINFHSA-N 1 0 208.309 2.072 20 30 BEEDRO COCC[N@H+](C)CCC1(C#N)CCCCC1 ZINC000411178601 191164427 /nfs/dbraw/zinc/16/44/27/191164427.db2.gz ARLNFUIEWOZPQZ-UHFFFAOYSA-N 1 0 224.348 2.429 20 30 BEEDRO C=CC(C)(C)CCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000638455490 352265783 /nfs/dbraw/zinc/26/57/83/352265783.db2.gz VZRANELCPUJBOC-VXGBXAGGSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[NH+](CC=C)CCc1cncs1 ZINC000411165973 191165551 /nfs/dbraw/zinc/16/55/51/191165551.db2.gz RCFQAMGFYYCOTA-UHFFFAOYSA-N 1 0 208.330 2.360 20 30 BEEDRO CCCNC(=[NH2+])N[C@H]1C[C@H](c2ccc(F)cc2)C1 ZINC000292382509 352318542 /nfs/dbraw/zinc/31/85/42/352318542.db2.gz UOTZOYLRDSAJCU-AULYBMBSSA-N 1 0 249.333 2.386 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)c2oc(C[NH3+])cc2C)C1 ZINC000638474297 352283570 /nfs/dbraw/zinc/28/35/70/352283570.db2.gz KGOOUNLOKNLHQP-NSHDSACASA-N 1 0 248.326 2.085 20 30 BEEDRO C=CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000638474536 352284329 /nfs/dbraw/zinc/28/43/29/352284329.db2.gz OEIROZSWJGNIFJ-OLZOCXBDSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1ccco1 ZINC000320271615 259425408 /nfs/dbraw/zinc/42/54/08/259425408.db2.gz LPWXJTPVIZDPJQ-QWRGUYRKSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CC[C@H]1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)C1 ZINC000638474538 352284535 /nfs/dbraw/zinc/28/45/35/352284535.db2.gz OEIROZSWJGNIFJ-STQMWFEESA-N 1 0 238.375 2.175 20 30 BEEDRO CC(C)[N@@H+]1CCCN([C@H](C)CCC#N)CC1 ZINC000411212690 191169991 /nfs/dbraw/zinc/16/99/91/191169991.db2.gz AUPVEVVYDLPXSC-CYBMUJFWSA-N 1 0 223.364 2.095 20 30 BEEDRO CCNC(=[NH2+])NC[C@@H](c1ccccc1)C1CC1 ZINC000292258052 352310705 /nfs/dbraw/zinc/31/07/05/352310705.db2.gz FIGGUJPUCFWROG-ZDUSSCGKSA-N 1 0 231.343 2.104 20 30 BEEDRO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)CCC#N ZINC000411216730 191173203 /nfs/dbraw/zinc/17/32/03/191173203.db2.gz FOXYLBMIPFPAJN-NWDGAFQWSA-N 1 0 210.321 2.180 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000411276082 191174746 /nfs/dbraw/zinc/17/47/46/191174746.db2.gz LPWXCVIPUSGJKJ-KBPBESRZSA-N 1 0 235.375 2.239 20 30 BEEDRO C=CC[N@@H+](C)CCN(CC)C(=O)CC(C)(C)C ZINC001640016363 1172150221 /nfs/dbraw/zinc/15/02/21/1172150221.db2.gz WCOQROAOQBDIHP-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO CCOC[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411299248 191175827 /nfs/dbraw/zinc/17/58/27/191175827.db2.gz AEMVMKUSEPHBKB-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@@H](CCC#N)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000411298212 191176424 /nfs/dbraw/zinc/17/64/24/191176424.db2.gz JCMBMLAFCIHECA-DZGCQCFKSA-N 1 0 249.402 2.342 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CCOCC1CC1 ZINC000411329571 191176556 /nfs/dbraw/zinc/17/65/56/191176556.db2.gz KMFALBQHNFVHAQ-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C[C@H](CCC#N)[N@H+](C)CCC(=O)OC(C)(C)C ZINC000411315755 191177245 /nfs/dbraw/zinc/17/72/45/191177245.db2.gz JNUAUIPDIHJIDU-LLVKDONJSA-N 1 0 240.347 2.342 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cccnc1 ZINC000320287728 259426126 /nfs/dbraw/zinc/42/61/26/259426126.db2.gz PGCXHVTVGPKMPI-WCQYABFASA-N 1 0 220.316 2.059 20 30 BEEDRO C=C[C@@H](CC(=O)N(CC)CC[NH3+])c1ccccc1 ZINC000638515621 352344450 /nfs/dbraw/zinc/34/44/50/352344450.db2.gz AXPRGXXCAIOIQC-ZDUSSCGKSA-N 1 0 246.354 2.154 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1csc(CC)n1 ZINC000320302259 259426774 /nfs/dbraw/zinc/42/67/74/259426774.db2.gz BQNQEQUGBHTLIG-JTQLQIEISA-N 1 0 240.372 2.122 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000411399605 191182923 /nfs/dbraw/zinc/18/29/23/191182923.db2.gz ROFJKVQJSLDXIQ-MCIONIFRSA-N 1 0 236.359 2.427 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000093107764 352396206 /nfs/dbraw/zinc/39/62/06/352396206.db2.gz IEVRFBBQABWLLO-ZDUSSCGKSA-N 1 0 238.375 2.411 20 30 BEEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000411406631 191184755 /nfs/dbraw/zinc/18/47/55/191184755.db2.gz JTDWUVUZTAATRL-GXTWGEPZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCN(C)CC[N@@H+](CC)CCC(=C)C ZINC000411640350 191198252 /nfs/dbraw/zinc/19/82/52/191198252.db2.gz FCZIQHWBIQLHQD-UHFFFAOYSA-N 1 0 210.365 2.392 20 30 BEEDRO CCC1(CC)[C@H]([NH2+]CCC#N)C[C@H]1OC ZINC000411632133 191199618 /nfs/dbraw/zinc/19/96/18/191199618.db2.gz OUERWHCHRHABQR-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCN(C)CC[N@H+](CC)CCCCF ZINC000411643497 191202244 /nfs/dbraw/zinc/20/22/44/191202244.db2.gz IDRPKHUUQMKOGD-UHFFFAOYSA-N 1 0 216.344 2.176 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CCO[C@@H](C(C)(C)C)C1 ZINC000411665026 191202968 /nfs/dbraw/zinc/20/29/68/191202968.db2.gz GNJVTWCFKBXJRZ-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO CSCCC[N@H+](C)[C@@H](C)CCC#N ZINC000411677767 191204555 /nfs/dbraw/zinc/20/45/55/191204555.db2.gz RYCIBJCIEPBQKJ-JTQLQIEISA-N 1 0 200.351 2.364 20 30 BEEDRO C[C@H]([NH2+]CCC#N)[C@@H]1Oc2ccccc2[C@H]1C ZINC000411542618 191193246 /nfs/dbraw/zinc/19/32/46/191193246.db2.gz ZXSJNKSLUDZTMD-UHIISALHSA-N 1 0 230.311 2.443 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+]CCC#N)C1(CC)CC ZINC000411549586 191194427 /nfs/dbraw/zinc/19/44/27/191194427.db2.gz HNOOUWUZQQSNFT-NEPJUHHUSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCC#N ZINC000411558723 191195905 /nfs/dbraw/zinc/19/59/05/191195905.db2.gz MHYRZUHXYGKKIQ-NEPJUHHUSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc(CC)cn1 ZINC000411798874 191212311 /nfs/dbraw/zinc/21/23/11/191212311.db2.gz XSQNWSSGVUZKRW-CABCVRRESA-N 1 0 246.354 2.467 20 30 BEEDRO C=CC[C@@H](C)[NH2+]C1CC(n2cccn2)C1 ZINC000638611758 352450759 /nfs/dbraw/zinc/45/07/59/352450759.db2.gz XRUHXHYOJDIJIG-VOMCLLRMSA-N 1 0 205.305 2.141 20 30 BEEDRO COC[C@]1(C)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000411771385 191210423 /nfs/dbraw/zinc/21/04/23/191210423.db2.gz GGBUPABKPGDDQC-VXGBXAGGSA-N 1 0 210.321 2.037 20 30 BEEDRO CCO[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C[C@@H]1C ZINC000411791707 191211534 /nfs/dbraw/zinc/21/15/34/191211534.db2.gz HLHPRMDSLRJEBV-YNEHKIRRSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@H]1CCCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528459071 352498672 /nfs/dbraw/zinc/49/86/72/352498672.db2.gz TXTQIHUVYGUTJP-STQMWFEESA-N 1 0 236.359 2.163 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424431935 323859403 /nfs/dbraw/zinc/85/94/03/323859403.db2.gz GLWRZVMYTXVTGX-SNVBAGLBSA-N 1 0 233.315 2.150 20 30 BEEDRO CC#CC[N@@H+]1CCSC2(CCC2)CC1 ZINC000411867660 191224228 /nfs/dbraw/zinc/22/42/28/191224228.db2.gz JVMHBTJLCROLFS-UHFFFAOYSA-N 1 0 209.358 2.371 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(C)cc1 ZINC000320313394 259427529 /nfs/dbraw/zinc/42/75/29/259427529.db2.gz VDGPWJCVSPTYPP-AWEZNQCLSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411956926 191232911 /nfs/dbraw/zinc/23/29/11/191232911.db2.gz RTIHIILXPLEHSV-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO CO[C@](C)([C@@H](C)[NH2+]CC1(C#N)CCC1)C1CC1 ZINC000411973041 191233385 /nfs/dbraw/zinc/23/33/85/191233385.db2.gz QYYASYXFVBUWSF-DGCLKSJQSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412045606 191244527 /nfs/dbraw/zinc/24/45/27/191244527.db2.gz YEDSHHPEBKKCCN-RWMBFGLXSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccccc1 ZINC000411961224 191234088 /nfs/dbraw/zinc/23/40/88/191234088.db2.gz ZPXWVEDOHMCJQU-KGLIPLIRSA-N 1 0 217.312 2.370 20 30 BEEDRO C[C@H]1CC(C)(C)C[N@@H+]1CCOCCC#N ZINC000412049795 191246011 /nfs/dbraw/zinc/24/60/11/191246011.db2.gz WZOWDSSLBZXNIX-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000306447891 353015883 /nfs/dbraw/zinc/01/58/83/353015883.db2.gz GGLILACSMLVVOA-BDAKNGLRSA-N 1 0 229.121 2.177 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CCCOC1 ZINC000336750327 353034874 /nfs/dbraw/zinc/03/48/74/353034874.db2.gz UQDGGTVKOXXPOI-UMSGYPCISA-N 1 0 222.332 2.083 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cccn(C(F)F)c1=O ZINC000638910123 353067675 /nfs/dbraw/zinc/06/76/75/353067675.db2.gz NLIMQLOGSCOVOX-UHFFFAOYSA-N 1 0 242.269 2.251 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1c2c(nn1C)CCCC2 ZINC000638911163 353075588 /nfs/dbraw/zinc/07/55/88/353075588.db2.gz ZFXMBEQKKPOKPL-UHFFFAOYSA-N 1 0 233.359 2.307 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000638875244 353041795 /nfs/dbraw/zinc/04/17/95/353041795.db2.gz PWXRHHFFBDSKTM-GFCCVEGCSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638877075 353042801 /nfs/dbraw/zinc/04/28/01/353042801.db2.gz GICXWSYJGMXTTK-AWEZNQCLSA-N 1 0 246.354 2.029 20 30 BEEDRO C=CCCC(C)(C)CNC(=O)CC[NH2+]C(C)C ZINC000638873573 353043830 /nfs/dbraw/zinc/04/38/30/353043830.db2.gz BQVYSSVTCITDPN-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(CC)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000334407622 353089482 /nfs/dbraw/zinc/08/94/82/353089482.db2.gz HLSPTRXGGITZRZ-ZIAGYGMSSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CCC(F)(F)F ZINC000336756324 353154324 /nfs/dbraw/zinc/15/43/24/353154324.db2.gz JHWYCPDKSQGTHI-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000335919812 188083491 /nfs/dbraw/zinc/08/34/91/188083491.db2.gz AESUXNGBBURRIJ-NSHDSACASA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1csc(C[NH2+]CCCC(F)(F)F)n1 ZINC000336709499 188083866 /nfs/dbraw/zinc/08/38/66/188083866.db2.gz RGRILGHVEJKVEB-UHFFFAOYSA-N 1 0 249.261 2.447 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc(COC)c1 ZINC000269707159 188089095 /nfs/dbraw/zinc/08/90/95/188089095.db2.gz NZGWRCLGAROXKV-UHFFFAOYSA-N 1 0 217.312 2.288 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cccc2nsnc21 ZINC000269018199 188089364 /nfs/dbraw/zinc/08/93/64/188089364.db2.gz OTYOGVLPVKBCCZ-UHFFFAOYSA-N 1 0 231.324 2.146 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C(=O)OC)cc1)C1CC1 ZINC000274124580 188091773 /nfs/dbraw/zinc/09/17/73/188091773.db2.gz HGPOVKLLMGPVDQ-UHFFFAOYSA-N 1 0 243.306 2.071 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1cnccn1 ZINC000274560220 188092899 /nfs/dbraw/zinc/09/28/99/188092899.db2.gz YJEZRCITTXAKHN-NSHDSACASA-N 1 0 205.305 2.484 20 30 BEEDRO CC#CC(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000277805631 188094612 /nfs/dbraw/zinc/09/46/12/188094612.db2.gz VYQWHZACJORTEU-UHFFFAOYSA-N 1 0 230.311 2.018 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1ccnn1C ZINC000278722396 188095466 /nfs/dbraw/zinc/09/54/66/188095466.db2.gz MGYMEAJVIKGHRA-LLVKDONJSA-N 1 0 207.321 2.427 20 30 BEEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000279071926 188096045 /nfs/dbraw/zinc/09/60/45/188096045.db2.gz RSOUFRHYKGQNIY-BETUJISGSA-N 1 0 229.323 2.277 20 30 BEEDRO C#Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000279071930 188096076 /nfs/dbraw/zinc/09/60/76/188096076.db2.gz RSOUFRHYKGQNIY-CHWSQXEVSA-N 1 0 229.323 2.277 20 30 BEEDRO C=CCOCC[NH2+]C[C@H](OC)C1CCCCC1 ZINC000638970164 353176424 /nfs/dbraw/zinc/17/64/24/353176424.db2.gz OTXOOENMCUVNTN-AWEZNQCLSA-N 1 0 241.375 2.374 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000293740261 188096909 /nfs/dbraw/zinc/09/69/09/188096909.db2.gz NLWDCPSZCARUJL-ZDUSSCGKSA-N 1 0 230.311 2.215 20 30 BEEDRO C#CC[N@H+](CC)CCOc1ccc(OC)cc1 ZINC000266959787 188088236 /nfs/dbraw/zinc/08/82/36/188088236.db2.gz WLLMRMBFMVBPJM-UHFFFAOYSA-N 1 0 233.311 2.029 20 30 BEEDRO C#Cc1cccc(NC(=O)C[N@@H+](CC)C2CC2)c1 ZINC000126144790 353218271 /nfs/dbraw/zinc/21/82/71/353218271.db2.gz MEHDTTUKMIEKDD-UHFFFAOYSA-N 1 0 242.322 2.091 20 30 BEEDRO CC#CCC[NH2+][C@H](C)c1cc(C)ccn1 ZINC000336762195 353199148 /nfs/dbraw/zinc/19/91/48/353199148.db2.gz NXKYFUHHNYAKQN-GFCCVEGCSA-N 1 0 202.301 2.454 20 30 BEEDRO N#Cc1csc(C[NH2+]C2CCCCC2)n1 ZINC000335620682 188162557 /nfs/dbraw/zinc/16/25/57/188162557.db2.gz OCYWOJVNUMZJQF-UHFFFAOYSA-N 1 0 221.329 2.437 20 30 BEEDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)cc(C#N)n1 ZINC000308276394 188162885 /nfs/dbraw/zinc/16/28/85/188162885.db2.gz OPURSEZJHJNSQO-JTQLQIEISA-N 1 0 232.331 2.014 20 30 BEEDRO CC(C)(C)OC(=O)CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000331351896 353245992 /nfs/dbraw/zinc/24/59/92/353245992.db2.gz OKCLUYBMAVOQSX-MNOVXSKESA-N 1 0 238.331 2.000 20 30 BEEDRO C[N@H+](CC#Cc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000160067977 353252899 /nfs/dbraw/zinc/25/28/99/353252899.db2.gz MXDAGIGNCVYCDU-AWEZNQCLSA-N 1 0 249.741 2.412 20 30 BEEDRO CCc1cc(CCC[NH2+][C@@H]2CCC[C@H]2C#N)on1 ZINC000331331706 353241236 /nfs/dbraw/zinc/24/12/36/353241236.db2.gz HSYMDZYFPUUAKS-SMDDNHRTSA-N 1 0 247.342 2.451 20 30 BEEDRO C[C@@H](Nc1ccc(C#N)cc1F)[C@H]1CCC[NH2+]C1 ZINC000050164068 188219625 /nfs/dbraw/zinc/21/96/25/188219625.db2.gz JDZWBXQUDUYWNL-PWSUYJOCSA-N 1 0 247.317 2.497 20 30 BEEDRO C=CC[N@@H+](C)C[C@](C)(O)c1ccccc1 ZINC000127156827 353263245 /nfs/dbraw/zinc/26/32/45/353263245.db2.gz MBDDPBHVPORTIK-ZDUSSCGKSA-N 1 0 205.301 2.012 20 30 BEEDRO C=CC[N@H+](C)CCCCn1ccnc1C ZINC000127142423 353263396 /nfs/dbraw/zinc/26/33/96/353263396.db2.gz BWAYLBXQOOMRGE-UHFFFAOYSA-N 1 0 207.321 2.090 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000127219299 353265213 /nfs/dbraw/zinc/26/52/13/353265213.db2.gz GBFUVRNDIPTFPB-AWEZNQCLSA-N 1 0 247.338 2.066 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](C)Cc1cccc(Cl)c1 ZINC000289985855 353281245 /nfs/dbraw/zinc/28/12/45/353281245.db2.gz XCSHAZKTYSEZQT-GWCFXTLKSA-N 1 0 239.746 2.408 20 30 BEEDRO C=C[C@H](C)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C ZINC000336768523 353283118 /nfs/dbraw/zinc/28/31/18/353283118.db2.gz QWWLCGLCNXYYLR-NNYUYHANSA-N 1 0 225.332 2.128 20 30 BEEDRO C#CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000161478155 353285023 /nfs/dbraw/zinc/28/50/23/353285023.db2.gz NKZAQUGTDCTYMV-HNNXBMFYSA-N 1 0 245.322 2.378 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CC1CCC(C)(C)CC1 ZINC000336769902 353292641 /nfs/dbraw/zinc/29/26/41/353292641.db2.gz WDVGBUODHRHGPS-LBPRGKRZSA-N 1 0 211.349 2.339 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)cc1C#N ZINC000336254839 188228005 /nfs/dbraw/zinc/22/80/05/188228005.db2.gz SCTWDTZSRQFURO-CYBMUJFWSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@@](C)(CO)c1ccccc1 ZINC000128604387 353302189 /nfs/dbraw/zinc/30/21/89/353302189.db2.gz ONIUIIQHDCPLLM-HNNXBMFYSA-N 1 0 246.354 2.424 20 30 BEEDRO C=CCSCC[NH2+][C@H](CC)c1cnn(C)c1 ZINC000129371664 353316941 /nfs/dbraw/zinc/31/69/41/353316941.db2.gz JBABIBYPSZATFP-GFCCVEGCSA-N 1 0 239.388 2.380 20 30 BEEDRO N#CCC[NH2+]CCCCOCc1ccccc1 ZINC000307167490 353321367 /nfs/dbraw/zinc/32/13/67/353321367.db2.gz RRUQEGCHKAFJHI-UHFFFAOYSA-N 1 0 232.327 2.487 20 30 BEEDRO CC#CCC[NH2+][C@H](C)CC1CCOCC1 ZINC000336772853 353321980 /nfs/dbraw/zinc/32/19/80/353321980.db2.gz YKKHQHXAHWBJDB-GFCCVEGCSA-N 1 0 209.333 2.195 20 30 BEEDRO C=CCC[C@@H](CC)[N@H+](C)[C@@H](C)C[S@](C)=O ZINC000130889139 353360301 /nfs/dbraw/zinc/36/03/01/353360301.db2.gz KCEGBJWGDZWBLJ-YWPYICTPSA-N 1 0 231.405 2.430 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C(N)=O)c1ccccc1 ZINC000076736057 353340889 /nfs/dbraw/zinc/34/08/89/353340889.db2.gz HPXIHAGRZJGHMY-ZDUSSCGKSA-N 1 0 232.327 2.111 20 30 BEEDRO C[NH+](C)Cc1cccc(NC(=O)C(C)(C)C#N)c1 ZINC000055308527 353352215 /nfs/dbraw/zinc/35/22/15/353352215.db2.gz ZWOJETZURKPYHE-UHFFFAOYSA-N 1 0 245.326 2.236 20 30 BEEDRO C=CC[N@@H+](CCOCCO)CC1CCCCC1 ZINC000133072710 353396702 /nfs/dbraw/zinc/39/67/02/353396702.db2.gz CVKLNYAGTUWJSM-UHFFFAOYSA-N 1 0 241.375 2.064 20 30 BEEDRO C=CCCN1CC[N@@H+](CCC=C)C[C@@H]1C ZINC000132520866 353380195 /nfs/dbraw/zinc/38/01/95/353380195.db2.gz QULITSWFIICEOA-ZDUSSCGKSA-N 1 0 208.349 2.145 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000091080697 353399912 /nfs/dbraw/zinc/39/99/12/353399912.db2.gz GJFRYSFMGMYTSQ-LBPRGKRZSA-N 1 0 217.316 2.187 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000180869203 353412595 /nfs/dbraw/zinc/41/25/95/353412595.db2.gz HGMYWKLXVGEHEA-HNNXBMFYSA-N 1 0 246.354 2.373 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+](Cc1ccccn1)C1CC1 ZINC000180869218 353412672 /nfs/dbraw/zinc/41/26/72/353412672.db2.gz HGMYWKLXVGEHEA-OAHLLOKOSA-N 1 0 246.354 2.373 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000091988113 353415628 /nfs/dbraw/zinc/41/56/28/353415628.db2.gz GMTOMABHWKDHHU-TZMCWYRMSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000281489535 353449370 /nfs/dbraw/zinc/44/93/70/353449370.db2.gz VZIXFDTYFSMBPW-NSHDSACASA-N 1 0 236.315 2.246 20 30 BEEDRO C[C@@H]1CN(CC#Cc2ccc(F)cc2)C[C@H](C)O1 ZINC000134076205 353457516 /nfs/dbraw/zinc/45/75/16/353457516.db2.gz HPGSOCHCPIQCKC-BETUJISGSA-N 1 0 247.313 2.286 20 30 BEEDRO C[N@H+](CCCCCO)CCC(C)(C)C#N ZINC000227063478 363227109 /nfs/dbraw/zinc/22/71/09/363227109.db2.gz MXLAWVXQHLERJC-UHFFFAOYSA-N 1 0 212.337 2.021 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](COC)c1ccccc1 ZINC000181687477 353438046 /nfs/dbraw/zinc/43/80/46/353438046.db2.gz YJUMLNAQZLWADD-CABCVRRESA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCN(Cc1ccnn1CCCOC)C1CC1 ZINC000282767439 353483245 /nfs/dbraw/zinc/48/32/45/353483245.db2.gz JBIFYTMZQIEJKG-UHFFFAOYSA-N 1 0 249.358 2.070 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000282866557 353484701 /nfs/dbraw/zinc/48/47/01/353484701.db2.gz UYASPOHRJAGSEU-NSHDSACASA-N 1 0 236.363 2.477 20 30 BEEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@@H](C)CC ZINC000183044114 353507382 /nfs/dbraw/zinc/50/73/82/353507382.db2.gz UJNVSUJEUWCOLE-STQMWFEESA-N 1 0 238.375 2.211 20 30 BEEDRO C=CCCCN(C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284339881 353510804 /nfs/dbraw/zinc/51/08/04/353510804.db2.gz MEAGDNODQCWRSX-UHFFFAOYSA-N 1 0 243.310 2.373 20 30 BEEDRO C#CCSCC[NH2+][C@@H](C)c1ccccc1O ZINC000134812253 353515385 /nfs/dbraw/zinc/51/53/85/353515385.db2.gz WLWSNXNRFHEDDW-NSHDSACASA-N 1 0 235.352 2.409 20 30 BEEDRO C=C(Cl)CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000134882571 353516895 /nfs/dbraw/zinc/51/68/95/353516895.db2.gz DTGNARQNUXNIMY-DCAQKATOSA-N 1 0 244.766 2.116 20 30 BEEDRO C[C@@H](CCCCO)[NH2+]Cc1ccc(CC#N)cc1 ZINC000399006163 353549858 /nfs/dbraw/zinc/54/98/58/353549858.db2.gz YJDFMQXBKAWZFP-ZDUSSCGKSA-N 1 0 246.354 2.393 20 30 BEEDRO C=CCOc1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000192015657 353531306 /nfs/dbraw/zinc/53/13/06/353531306.db2.gz STBWMPQRTWDMOA-MNOVXSKESA-N 1 0 248.326 2.173 20 30 BEEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC#Cc1ccccc1 ZINC000192013519 353531452 /nfs/dbraw/zinc/53/14/52/353531452.db2.gz FBAOOSDHHWFUHK-GOEBONIOSA-N 1 0 243.350 2.273 20 30 BEEDRO COC[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000192024413 353532601 /nfs/dbraw/zinc/53/26/01/353532601.db2.gz FDPSHPGADYWBEE-INIZCTEOSA-N 1 0 243.350 2.397 20 30 BEEDRO CC#CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285316737 353532858 /nfs/dbraw/zinc/53/28/58/353532858.db2.gz MOEBCRWNVGXQLE-UHFFFAOYSA-N 1 0 232.283 2.092 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CC(C)C)C(=O)OC ZINC000285317599 353533335 /nfs/dbraw/zinc/53/33/35/353533335.db2.gz NHTGKQMIBNRTEJ-LLVKDONJSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1nc(C)no1 ZINC000285696790 353539119 /nfs/dbraw/zinc/53/91/19/353539119.db2.gz OSSBELHDXBVFEW-LLVKDONJSA-N 1 0 221.304 2.481 20 30 BEEDRO CC#CC[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285492242 353544282 /nfs/dbraw/zinc/54/42/82/353544282.db2.gz CDIRTDVTPVETMS-UHFFFAOYSA-N 1 0 234.343 2.057 20 30 BEEDRO C[C@@]1(O)CCC[N@H+](CC#Cc2ccccc2)CC1 ZINC000230379332 353496088 /nfs/dbraw/zinc/49/60/88/353496088.db2.gz YOYCUMNIAREFDE-MRXNPFEDSA-N 1 0 243.350 2.275 20 30 BEEDRO C=CCCCCCCNC(=O)/C=C/C[NH+](C)C ZINC000287049175 353576551 /nfs/dbraw/zinc/57/65/51/353576551.db2.gz MTCKMUFKXCBAQK-ZHACJKMWSA-N 1 0 238.375 2.357 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C(C)(C)CC=C ZINC000491714109 324158153 /nfs/dbraw/zinc/15/81/53/324158153.db2.gz LYTLWMMAXDLEAD-CYBMUJFWSA-N 1 0 249.354 2.230 20 30 BEEDRO N#CCc1ccc(C[NH2+][C@@H]2CCSC2)cc1 ZINC000399009632 353586681 /nfs/dbraw/zinc/58/66/81/353586681.db2.gz WOSXUOKDSPOGBG-CYBMUJFWSA-N 1 0 232.352 2.348 20 30 BEEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)c1ccccc1F ZINC000286223052 353553662 /nfs/dbraw/zinc/55/36/62/353553662.db2.gz QYYOCIIRMCULDS-ZDUSSCGKSA-N 1 0 235.302 2.203 20 30 BEEDRO C=CC[NH+](CC=C)C[C@H](O)Cc1ccccc1 ZINC000192498779 353557487 /nfs/dbraw/zinc/55/74/87/353557487.db2.gz PYRJBRBFTNVVEL-OAHLLOKOSA-N 1 0 231.339 2.264 20 30 BEEDRO C=C(Cl)C[N@H+]1CCCC[C@H]1CCC(=O)NC ZINC000286348118 353559383 /nfs/dbraw/zinc/55/93/83/353559383.db2.gz GUEOVGNCHMVKGW-NSHDSACASA-N 1 0 244.766 2.120 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000289651864 353624305 /nfs/dbraw/zinc/62/43/05/353624305.db2.gz LOQWYHGZJZRRLJ-WFASDCNBSA-N 1 0 229.323 2.183 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCc1cccc(C)c1 ZINC000289695987 353625907 /nfs/dbraw/zinc/62/59/07/353625907.db2.gz IJZLJBYOLWIBST-DZGCQCFKSA-N 1 0 233.355 2.453 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCCC)cc1O ZINC000289384643 353626512 /nfs/dbraw/zinc/62/65/12/353626512.db2.gz MVHVDKVTHIIXGC-LLVKDONJSA-N 1 0 233.311 2.292 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(OC)cc1)C(C)C ZINC000289361747 353626609 /nfs/dbraw/zinc/62/66/09/353626609.db2.gz KLUIFOUIPHOHIA-AWEZNQCLSA-N 1 0 217.312 2.443 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C(=O)OCC)o1)C(C)C ZINC000289397630 353627163 /nfs/dbraw/zinc/62/71/63/353627163.db2.gz OGDZMESZYGSLGX-GFCCVEGCSA-N 1 0 249.310 2.204 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000289398469 353627703 /nfs/dbraw/zinc/62/77/03/353627703.db2.gz NPDYZPPMRSVVAH-JKSUJKDBSA-N 1 0 242.366 2.435 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1 ZINC000289510905 353630419 /nfs/dbraw/zinc/63/04/19/353630419.db2.gz GSVUGTDKBZXEAX-HUUCEWRRSA-N 1 0 229.323 2.013 20 30 BEEDRO C#Cc1ccc(C[N@H+](C)CCCCCO)cc1 ZINC000289525759 353631129 /nfs/dbraw/zinc/63/11/29/353631129.db2.gz DXKOHLWUIULKPN-UHFFFAOYSA-N 1 0 231.339 2.262 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000289543848 353632089 /nfs/dbraw/zinc/63/20/89/353632089.db2.gz QQWOOWYVMQSFBM-RYUDHWBXSA-N 1 0 247.338 2.333 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1cccc(OC)c1OC)C(C)C ZINC000289550058 353632116 /nfs/dbraw/zinc/63/21/16/353632116.db2.gz RAYJOZAQCHMNGQ-CYBMUJFWSA-N 1 0 247.338 2.451 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000289764909 353635118 /nfs/dbraw/zinc/63/51/18/353635118.db2.gz QNTGNORJOSEVPA-SECBINFHSA-N 1 0 226.345 2.204 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1ccc(OCC)cc1 ZINC000289765779 353635148 /nfs/dbraw/zinc/63/51/48/353635148.db2.gz LVTWQYLYVYDERC-DGCLKSJQSA-N 1 0 235.327 2.283 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000289801482 353636440 /nfs/dbraw/zinc/63/64/40/353636440.db2.gz NYKDUYBMAABAFA-APPZFPTMSA-N 1 0 245.244 2.301 20 30 BEEDRO C=C[C@@H](CO)[NH2+]Cc1cc2cc(OC)ccc2o1 ZINC000289803012 353636922 /nfs/dbraw/zinc/63/69/22/353636922.db2.gz LBIOVUWQGZEIGA-NSHDSACASA-N 1 0 247.294 2.078 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000184276086 353637329 /nfs/dbraw/zinc/63/73/29/353637329.db2.gz DQNCUZJXBOZLAN-LYKUJDHUSA-N 1 0 235.302 2.366 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000184276071 353637416 /nfs/dbraw/zinc/63/74/16/353637416.db2.gz DQNCUZJXBOZLAN-KQIUPUNMSA-N 1 0 235.302 2.366 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C/C=C/c1ccccc1OC ZINC000184262177 353637555 /nfs/dbraw/zinc/63/75/55/353637555.db2.gz QPCYXFNGUIFKJE-MRZGDXHCSA-N 1 0 247.338 2.235 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)Cc1ccc(C)cc1 ZINC000289710369 353638141 /nfs/dbraw/zinc/63/81/41/353638141.db2.gz JBMYERQJJFDDLB-GJZGRUSLSA-N 1 0 233.355 2.453 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)cc1 ZINC000289837490 353639910 /nfs/dbraw/zinc/63/99/10/353639910.db2.gz UQVHZHOJMKRHHA-CVEARBPZSA-N 1 0 243.350 2.309 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(N(CC)CC)cc1 ZINC000289929992 353643425 /nfs/dbraw/zinc/64/34/25/353643425.db2.gz SYOHQAOMWJEITC-CQSZACIVSA-N 1 0 248.370 2.169 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](n2cc(C)cn2)C1 ZINC000290038490 353646348 /nfs/dbraw/zinc/64/63/48/353646348.db2.gz WIPUAFMBNUMGGM-CYBMUJFWSA-N 1 0 219.332 2.405 20 30 BEEDRO C#Cc1ccc(CN2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000290127148 353649583 /nfs/dbraw/zinc/64/95/83/353649583.db2.gz URTVLWMWXULYMH-INIZCTEOSA-N 1 0 242.366 2.051 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000290213399 353651328 /nfs/dbraw/zinc/65/13/28/353651328.db2.gz HJSYEVZAOCUVPQ-WHOFXGATSA-N 1 0 247.338 2.425 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C)c(OC)c1 ZINC000194416557 353651986 /nfs/dbraw/zinc/65/19/86/353651986.db2.gz NHCIGLJOFAUHJS-CYBMUJFWSA-N 1 0 235.327 2.030 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)cc1 ZINC000290230587 353652062 /nfs/dbraw/zinc/65/20/62/353652062.db2.gz FUSVRZLISIRFTQ-ZDUSSCGKSA-N 1 0 242.366 2.240 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000289339371 353613217 /nfs/dbraw/zinc/61/32/17/353613217.db2.gz VZGVDUYARVVAFX-HNNXBMFYSA-N 1 0 229.323 2.184 20 30 BEEDRO C#CCC[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000289325798 353613239 /nfs/dbraw/zinc/61/32/39/353613239.db2.gz CWUDAAFVCIHRJM-UHFFFAOYSA-N 1 0 244.338 2.257 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cccc2nccn21)C(C)C ZINC000289328659 353613833 /nfs/dbraw/zinc/61/38/33/353613833.db2.gz GLGNDVYYAKKDNI-ZDUSSCGKSA-N 1 0 227.311 2.082 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H](OC)C2)cc1 ZINC000288972036 353615727 /nfs/dbraw/zinc/61/57/27/353615727.db2.gz BRZDKFRUFQNNLB-OAHLLOKOSA-N 1 0 229.323 2.279 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000289229635 353620710 /nfs/dbraw/zinc/62/07/10/353620710.db2.gz KASSVGOAJAEJOH-HNNXBMFYSA-N 1 0 229.323 2.327 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1cncc(OC)c1 ZINC000290490334 353657452 /nfs/dbraw/zinc/65/74/52/353657452.db2.gz XSECUUIWAVZAMD-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)cc1 ZINC000290406059 353663001 /nfs/dbraw/zinc/66/30/01/353663001.db2.gz PSAYONAXBVYBJV-CVEARBPZSA-N 1 0 243.350 2.309 20 30 BEEDRO C=CC[N@H+](Cc1c[nH]c2nccnc12)C1CC1 ZINC000290773381 353670278 /nfs/dbraw/zinc/67/02/78/353670278.db2.gz BKGZYLDKNDVVKJ-UHFFFAOYSA-N 1 0 228.299 2.108 20 30 BEEDRO C=CCSCC[NH2+]C[C@H](O)CC1CCCC1 ZINC000231941003 353675890 /nfs/dbraw/zinc/67/58/90/353675890.db2.gz FMFZILIMDQZEII-CYBMUJFWSA-N 1 0 243.416 2.436 20 30 BEEDRO CO[C@]1(C)C[C@@H]([N@H+](C)CC2(C#N)CC2)C1(C)C ZINC000343320758 353676604 /nfs/dbraw/zinc/67/66/04/353676604.db2.gz MLOUYMIYHMQAQN-DGCLKSJQSA-N 1 0 236.359 2.426 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CCO)C(C)C)cc1 ZINC000290473837 353656199 /nfs/dbraw/zinc/65/61/99/353656199.db2.gz UWBXMUDQPFKGJQ-HNNXBMFYSA-N 1 0 231.339 2.165 20 30 BEEDRO CC#CC[N@H+](C)CCCCCn1cc(C)cn1 ZINC000293142182 353735644 /nfs/dbraw/zinc/73/56/44/353735644.db2.gz NPWUUZDIEUZWJG-UHFFFAOYSA-N 1 0 233.359 2.317 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000336781935 353698209 /nfs/dbraw/zinc/69/82/09/353698209.db2.gz WCMWFXDBWNXQFI-MNOVXSKESA-N 1 0 226.364 2.234 20 30 BEEDRO C=CCC(CC=C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000292399584 353713127 /nfs/dbraw/zinc/71/31/27/353713127.db2.gz OFDBZCNZNPUQQL-GFCCVEGCSA-N 1 0 238.375 2.069 20 30 BEEDRO O[C@@H]1CCC[N@H+](CC#Cc2ccc(F)cc2)CC1 ZINC000293176991 353735225 /nfs/dbraw/zinc/73/52/25/353735225.db2.gz PMUOJAKNRKPUPR-OAHLLOKOSA-N 1 0 247.313 2.024 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(N(C)C)nc1 ZINC000292910723 353728251 /nfs/dbraw/zinc/72/82/51/353728251.db2.gz HICWDSYRWWGLAH-UHFFFAOYSA-N 1 0 248.374 2.235 20 30 BEEDRO C=CCOCC[N@@H+]1CCCc2occc2C1 ZINC000293567664 353748996 /nfs/dbraw/zinc/74/89/96/353748996.db2.gz MTKDSKDSGIXBCA-UHFFFAOYSA-N 1 0 221.300 2.230 20 30 BEEDRO C=CCOCC[N@@H+](C)C1Cc2ccccc2C1 ZINC000293607715 353750336 /nfs/dbraw/zinc/75/03/36/353750336.db2.gz VILVEWLFWCVYEC-UHFFFAOYSA-N 1 0 231.339 2.288 20 30 BEEDRO CC#CCC[N@@H+](C)Cc1conc1CC ZINC000293486332 353751051 /nfs/dbraw/zinc/75/10/51/353751051.db2.gz SIWAGCAPUGFBST-UHFFFAOYSA-N 1 0 206.289 2.082 20 30 BEEDRO C=CCOCC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000293686871 353754301 /nfs/dbraw/zinc/75/43/01/353754301.db2.gz BAVYHBQEWMIVEV-CQSZACIVSA-N 1 0 249.358 2.150 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H](CC)C(C)(C)O)cc1 ZINC000293766628 353756938 /nfs/dbraw/zinc/75/69/38/353756938.db2.gz YENKAPLCYJLXQX-AWEZNQCLSA-N 1 0 231.339 2.307 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H](CC)C(C)(C)O)cc1 ZINC000293766633 353757396 /nfs/dbraw/zinc/75/73/96/353757396.db2.gz YENKAPLCYJLXQX-CQSZACIVSA-N 1 0 231.339 2.307 20 30 BEEDRO C=CCOCC[N@@H+](C)CCc1ncc(C)s1 ZINC000293763081 353757401 /nfs/dbraw/zinc/75/74/01/353757401.db2.gz KDIJZGXNQDXJBW-UHFFFAOYSA-N 1 0 240.372 2.128 20 30 BEEDRO C=CCCC[NH2+]Cc1cccc(F)c1N ZINC000639120667 353760479 /nfs/dbraw/zinc/76/04/79/353760479.db2.gz YDUQKCQIMCLKSJ-UHFFFAOYSA-N 1 0 208.280 2.464 20 30 BEEDRO C=CC[NH+](CC=C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000293666964 353760739 /nfs/dbraw/zinc/76/07/39/353760739.db2.gz ZCHSBPBNYJBGOR-HNNXBMFYSA-N 1 0 249.329 2.403 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000293851679 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354477583 /nfs/dbraw/zinc/47/75/83/354477583.db2.gz MCLCRICSUCACOL-CQSZACIVSA-N 1 0 236.359 2.429 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCC2CC2)c1 ZINC000083893268 181138010 /nfs/dbraw/zinc/13/80/10/181138010.db2.gz HOIUOMLJLVKSIO-UHFFFAOYSA-N 1 0 200.285 2.448 20 30 BEEDRO N#Cc1cccc(C[NH2+]CCc2ccccn2)c1 ZINC000019916510 181138445 /nfs/dbraw/zinc/13/84/45/181138445.db2.gz KKSXZVSHAFDFRQ-UHFFFAOYSA-N 1 0 237.306 2.286 20 30 BEEDRO N#Cc1cccc(CC[NH2+]Cc2ccco2)c1 ZINC000341495109 181136750 /nfs/dbraw/zinc/13/67/50/181136750.db2.gz XRBQHRVZLASBEV-UHFFFAOYSA-N 1 0 226.279 2.484 20 30 BEEDRO N#Cc1cccc(CC[NH2+]Cc2cc[nH]c2)c1 ZINC000341472080 181136977 /nfs/dbraw/zinc/13/69/77/181136977.db2.gz VDKAAAOWLJRIAX-UHFFFAOYSA-N 1 0 225.295 2.219 20 30 BEEDRO N#Cc1cccc(C2([NH2+]C[C@H]3CCCO3)CC2)c1 ZINC000271752931 181136981 /nfs/dbraw/zinc/13/69/81/181136981.db2.gz GCYPEPLXMZCMIH-CQSZACIVSA-N 1 0 242.322 2.316 20 30 BEEDRO Cc1cc(C)c(NC(=O)NC[C@@H](C)C#N)c(C)n1 ZINC000334714596 354512380 /nfs/dbraw/zinc/51/23/80/354512380.db2.gz YFZWFSYAKORROD-QMMMGPOBSA-N 1 0 246.314 2.288 20 30 BEEDRO N#Cc1ccccc1CN1CCO[C@@H]2CCC[C@@H]21 ZINC000042292971 181144812 /nfs/dbraw/zinc/14/48/12/181144812.db2.gz NVHAGPJIFNQDST-LSDHHAIUSA-N 1 0 242.322 2.312 20 30 BEEDRO N#Cc1cccnc1N[C@@H](C[NH3+])C1CCCCC1 ZINC000125759182 181152806 /nfs/dbraw/zinc/15/28/06/181152806.db2.gz MCQQRKVKWJODKG-ZDUSSCGKSA-N 1 0 244.342 2.273 20 30 BEEDRO C=CCCCC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000345910852 354806391 /nfs/dbraw/zinc/80/63/91/354806391.db2.gz SCMXXXRBQLUKEH-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCC[N@@H+]1CCN(CC(F)F)[C@@H](CC)C1 ZINC000346175837 354868374 /nfs/dbraw/zinc/86/83/74/354868374.db2.gz HZFWBSZYUZBMCC-NSHDSACASA-N 1 0 232.318 2.224 20 30 BEEDRO C=CCOc1ccccc1CN1CCC[C@H]([NH3+])C1 ZINC000346138558 354870060 /nfs/dbraw/zinc/87/00/60/354870060.db2.gz VXDHDJGHCDLYCN-AWEZNQCLSA-N 1 0 246.354 2.175 20 30 BEEDRO CCOC[C@@H]([NH2+]CCCCC#N)C(C)C ZINC000233726799 363406169 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/nfs/dbraw/zinc/13/06/97/355130697.db2.gz XDUITGYKCPBNOF-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000346846980 355136399 /nfs/dbraw/zinc/13/63/99/355136399.db2.gz OMUSWAMZRTYIDE-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000639232297 355214630 /nfs/dbraw/zinc/21/46/30/355214630.db2.gz GFRRNJRRWCQFPM-YIYPIFLZSA-N 1 0 241.375 2.371 20 30 BEEDRO CC[N@@H+]1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000267266359 355219821 /nfs/dbraw/zinc/21/98/21/355219821.db2.gz YIQGCTCJDKAGIS-UHFFFAOYSA-N 1 0 247.317 2.229 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H](O)C2)C1 ZINC000623748693 355229273 /nfs/dbraw/zinc/22/92/73/355229273.db2.gz DCLATYOQICEGHO-WUHRBBMRSA-N 1 0 209.333 2.092 20 30 BEEDRO [NH2+]=C(NCc1ccc(Cl)cc1F)NC1CC1 ZINC000186009664 181179295 /nfs/dbraw/zinc/17/92/95/181179295.db2.gz GXMSWPDEIQAUGR-UHFFFAOYSA-N 1 0 241.697 2.046 20 30 BEEDRO C[N@@H+]1CCC[C@@H](CCNc2ncccc2C#N)C1 ZINC000413432868 191379421 /nfs/dbraw/zinc/37/94/21/191379421.db2.gz CRORWLNCZVUVMT-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO COc1ccc(C[C@H](C)[NH2+]CCCCC#N)cn1 ZINC000414065224 191424680 /nfs/dbraw/zinc/42/46/80/191424680.db2.gz FSFZYRZUEGLXFU-LBPRGKRZSA-N 1 0 247.342 2.305 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCCS(=O)(=O)CC ZINC000414338302 191492297 /nfs/dbraw/zinc/49/22/97/191492297.db2.gz KCAJSWNMOLPYSI-VXGBXAGGSA-N 1 0 247.404 2.002 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000639275391 355351596 /nfs/dbraw/zinc/35/15/96/355351596.db2.gz PZGNWMMYBKNBIL-NAKRPEOUSA-N 1 0 231.286 2.211 20 30 BEEDRO COC1CC[NH+](CC(C)(C)CCC#N)CC1 ZINC000349727913 355421505 /nfs/dbraw/zinc/42/15/05/355421505.db2.gz BBQPDASBDSTRHP-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1)[C@@H](O)C(C)C ZINC000414526168 191528487 /nfs/dbraw/zinc/52/84/87/191528487.db2.gz KRLGOGZHFWGPBO-CABCVRRESA-N 1 0 246.354 2.443 20 30 BEEDRO CCO[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000087595365 355398136 /nfs/dbraw/zinc/39/81/36/355398136.db2.gz BXXACQVNCBKUQQ-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000583562168 355612373 /nfs/dbraw/zinc/61/23/73/355612373.db2.gz DLXFMOHSJHGPCF-HNNXBMFYSA-N 1 0 247.338 2.342 20 30 BEEDRO CN(Cc1nc(C#N)cs1)C1CCCC1 ZINC000335835772 355563274 /nfs/dbraw/zinc/56/32/74/355563274.db2.gz VNTYTZGCUKYKKX-UHFFFAOYSA-N 1 0 221.329 2.389 20 30 BEEDRO C=CC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000582183808 355659422 /nfs/dbraw/zinc/65/94/22/355659422.db2.gz AYAUQLOPTSZVGA-KGLIPLIRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1ccnc(C)n1 ZINC000350177231 355620456 /nfs/dbraw/zinc/62/04/56/355620456.db2.gz QFAYIIIOVPPUEJ-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO Cc1nc(C[NH2+]CC(C)(C)CCC#N)[nH]c1C ZINC000582192494 355694196 /nfs/dbraw/zinc/69/41/96/355694196.db2.gz KQKXKKLUCXNAGF-UHFFFAOYSA-N 1 0 234.347 2.446 20 30 BEEDRO C=CCC1([NH2+][C@H](C)[C@H]2CCCO2)CCOCC1 ZINC000639316668 355702721 /nfs/dbraw/zinc/70/27/21/355702721.db2.gz XJPOZQCWNIYZCX-CHWSQXEVSA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC1([NH2+]CCC[C@@H]2CCO2)CCOCC1 ZINC000639315744 355707814 /nfs/dbraw/zinc/70/78/14/355707814.db2.gz SXUKDXGASXYNEW-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO C#Cc1cccc(NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC000106408789 355775946 /nfs/dbraw/zinc/77/59/46/355775946.db2.gz HRHRDRFCYFMQSA-AWEZNQCLSA-N 1 0 244.338 2.193 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639344306 355787371 /nfs/dbraw/zinc/78/73/71/355787371.db2.gz XCJJMLIENPPILI-CHWSQXEVSA-N 1 0 241.375 2.230 20 30 BEEDRO C=CC(C)(C)CC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639344309 355787751 /nfs/dbraw/zinc/78/77/51/355787751.db2.gz XCJJMLIENPPILI-STQMWFEESA-N 1 0 241.375 2.230 20 30 BEEDRO CS[C@H]1CC[C@H]1[NH2+]CC1(C#N)CCC1 ZINC000425371488 191826471 /nfs/dbraw/zinc/82/64/71/191826471.db2.gz QGBWDAHSZAKQRP-ZJUUUORDSA-N 1 0 210.346 2.164 20 30 BEEDRO C#C[C@@H](C)[NH2+]C[C@H]1CCOc2ccccc21 ZINC000166707399 355823572 /nfs/dbraw/zinc/82/35/72/355823572.db2.gz KVWBFLAKIBRBIX-VXGBXAGGSA-N 1 0 215.296 2.164 20 30 BEEDRO C=CCN(CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000383980209 355847365 /nfs/dbraw/zinc/84/73/65/355847365.db2.gz RXZAPSNEROLOIZ-JTQLQIEISA-N 1 0 213.321 2.225 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]Cc1cnn[n-]1 ZINC000628363431 355848480 /nfs/dbraw/zinc/84/84/80/355848480.db2.gz JYULCJJIPSQKDI-JTQLQIEISA-N 1 0 208.309 2.029 20 30 BEEDRO C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccc(C#N)cc1 ZINC000087817826 355900694 /nfs/dbraw/zinc/90/06/94/355900694.db2.gz GCWWHJLFUUTALD-GHMZBOCLSA-N 1 0 232.327 2.368 20 30 BEEDRO C#CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000192047286 355950609 /nfs/dbraw/zinc/95/06/09/355950609.db2.gz LVVVCBOMAGJYFE-STQMWFEESA-N 1 0 235.714 2.393 20 30 BEEDRO C#CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000192047269 355951250 /nfs/dbraw/zinc/95/12/50/355951250.db2.gz LVVVCBOMAGJYFE-CHWSQXEVSA-N 1 0 235.714 2.393 20 30 BEEDRO C=C(CC)C[N@H+](CCO)[C@@H]1CC[C@H](C)C1 ZINC000351646655 356043216 /nfs/dbraw/zinc/04/32/16/356043216.db2.gz HHKLMYLVTNUJSB-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO C=CCCC[C@@H](C)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000417992869 191949791 /nfs/dbraw/zinc/94/97/91/191949791.db2.gz XDPMBWYCMLAKOD-VXGBXAGGSA-N 1 0 241.379 2.028 20 30 BEEDRO C=CC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000351596576 356026303 /nfs/dbraw/zinc/02/63/03/356026303.db2.gz OIQNHYAWLSVAND-UHFFFAOYSA-N 1 0 249.310 2.046 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(OC)c(C#N)c1 ZINC000087833251 356026576 /nfs/dbraw/zinc/02/65/76/356026576.db2.gz OTBXBZQWWZGJFC-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO C[C@@H](CCC#N)N1CCC([NH+]2CCCC2)CC1 ZINC000351614939 356028137 /nfs/dbraw/zinc/02/81/37/356028137.db2.gz JIPIYVNLPMZQJX-ZDUSSCGKSA-N 1 0 235.375 2.239 20 30 BEEDRO C=C(C)C[NH2+]Cc1c(C)nc2ccccn21 ZINC000167459133 356028736 /nfs/dbraw/zinc/02/87/36/356028736.db2.gz UQWCJMGHMXEQKV-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617552862 356109579 /nfs/dbraw/zinc/10/95/79/356109579.db2.gz WLPZNXYMXNUDDM-QWHCGFSZSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C)CC[N@@H+](C)C1CCC(CO)CC1 ZINC000351718380 356069157 /nfs/dbraw/zinc/06/91/57/356069157.db2.gz JERHFIYMNUAYFY-UHFFFAOYSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000351738565 356076128 /nfs/dbraw/zinc/07/61/28/356076128.db2.gz XILIYZWKRCDARB-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)CC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000418077445 191962569 /nfs/dbraw/zinc/96/25/69/191962569.db2.gz SZBSXLFZXBJLMF-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=C(C)CC[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000351820055 356089316 /nfs/dbraw/zinc/08/93/16/356089316.db2.gz NBDHQVXAVSTOPC-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO CCOC1CC(C[N@H+](C)[C@H](C)CC#N)C1 ZINC000351894962 356164398 /nfs/dbraw/zinc/16/43/98/356164398.db2.gz ZERBCLQTLODVOP-VOMCLLRMSA-N 1 0 210.321 2.035 20 30 BEEDRO C=CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000617615677 356185601 /nfs/dbraw/zinc/18/56/01/356185601.db2.gz XCHYPBJLBCMOFK-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO CC#CC[N@@H+]1C[C@@H](C)C[C@@H]1c1cccnc1 ZINC000336119506 134089762 /nfs/dbraw/zinc/08/97/62/134089762.db2.gz YBDIEKIZBSPLSX-GXTWGEPZSA-N 1 0 214.312 2.488 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617756156 356316555 /nfs/dbraw/zinc/31/65/55/356316555.db2.gz AVYZTNKRBLALMD-VXGBXAGGSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC1(C(=O)NCC[C@H](C)[NH+](C)C)CCC1 ZINC000617758071 356318923 /nfs/dbraw/zinc/31/89/23/356318923.db2.gz HMOMSEOTZCYGKZ-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000639494466 356318939 /nfs/dbraw/zinc/31/89/39/356318939.db2.gz IAJLHAAPUAGBFJ-ZDUSSCGKSA-N 1 0 248.374 2.444 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000336138646 134097009 /nfs/dbraw/zinc/09/70/09/134097009.db2.gz BTJIOMPHGDMQGN-GFCCVEGCSA-N 1 0 209.333 2.332 20 30 BEEDRO CSCCC[NH+]1CCC(F)(C#N)CC1 ZINC000352463821 356361033 /nfs/dbraw/zinc/36/10/33/356361033.db2.gz KYLZYTNFPYYKLA-UHFFFAOYSA-N 1 0 216.325 2.067 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001640872317 1172198803 /nfs/dbraw/zinc/19/88/03/1172198803.db2.gz UVJSDLTWGOXIAG-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO CC[N@@H+](Cc1ccc(C#N)c(C)c1)C[C@H](C)O ZINC000352194190 134098028 /nfs/dbraw/zinc/09/80/28/134098028.db2.gz IMUFUIAHAFUYBE-LBPRGKRZSA-N 1 0 232.327 2.069 20 30 BEEDRO CCN1CC[N@H+](CCCC(C)(C)C#N)[C@H](C)C1 ZINC000352664201 356400945 /nfs/dbraw/zinc/40/09/45/356400945.db2.gz BMFCLIJQVVVISI-CYBMUJFWSA-N 1 0 237.391 2.342 20 30 BEEDRO C[C@@H](CC#N)[NH2+]CCc1ccc2c(c1)CCO2 ZINC000609626090 356409234 /nfs/dbraw/zinc/40/92/34/356409234.db2.gz IOJLNOBQFKLZQY-NSHDSACASA-N 1 0 230.311 2.056 20 30 BEEDRO CC[N@H+](C[C@H](C)O)[C@H](C)c1cccc(C#N)c1 ZINC000352209679 134107592 /nfs/dbraw/zinc/10/75/92/134107592.db2.gz CLMQSJIZDGVLEF-NWDGAFQWSA-N 1 0 232.327 2.322 20 30 BEEDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H](C#N)C2)on1 ZINC000192830674 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324943060 /nfs/dbraw/zinc/94/30/60/324943060.db2.gz YAMNBPLZWQOXKR-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421016736 192303665 /nfs/dbraw/zinc/30/36/65/192303665.db2.gz MRKHFGQJHBAVJK-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC1(C#N)CCC1 ZINC000336198742 134127756 /nfs/dbraw/zinc/12/77/56/134127756.db2.gz MMVLAHACZVJOGH-ZIAGYGMSSA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC000179785182 366306098 /nfs/dbraw/zinc/30/60/98/366306098.db2.gz GLMOXIGZTMOGMI-LBPRGKRZSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC1(C(=O)NCC[N@@H+](C)CC)CCCC1 ZINC000449853839 202046636 /nfs/dbraw/zinc/04/66/36/202046636.db2.gz DMNJACPQOCVVCV-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[N@@H+](CC)C1CC1 ZINC000179791154 366306605 /nfs/dbraw/zinc/30/66/05/366306605.db2.gz RFNLOTQRRSRKMS-LBPRGKRZSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CC[C@H](C(N)=O)CC1 ZINC000421349801 192319617 /nfs/dbraw/zinc/31/96/17/192319617.db2.gz JMAISTLOOYGVCQ-AVGNSLFASA-N 1 0 238.375 2.222 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC1(CC(N)=O)CC1 ZINC000421349829 192319832 /nfs/dbraw/zinc/31/98/32/192319832.db2.gz JSQXTPWQSJGVIF-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CC1(CC(N)=O)CC1 ZINC000421352079 192320620 /nfs/dbraw/zinc/32/06/20/192320620.db2.gz PXSFOUPAHQIQPA-LBPRGKRZSA-N 1 0 238.375 2.367 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000639662489 356576780 /nfs/dbraw/zinc/57/67/80/356576780.db2.gz DXCZVAFSRNKXMQ-XQQFMLRXSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000449985962 202062454 /nfs/dbraw/zinc/06/24/54/202062454.db2.gz FLUONDLNEQKVCW-LBPRGKRZSA-N 1 0 238.375 2.141 20 30 BEEDRO CCCN(CCCC#N)CC[NH+]1CCCC1 ZINC000352889780 535328170 /nfs/dbraw/zinc/32/81/70/535328170.db2.gz ZENYRIAGXPGCAZ-UHFFFAOYSA-N 1 0 223.364 2.098 20 30 BEEDRO C=C(C)CC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)OC ZINC000352422043 134144570 /nfs/dbraw/zinc/14/45/70/134144570.db2.gz PFMOJLGSENGHOD-RWMBFGLXSA-N 1 0 237.343 2.226 20 30 BEEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1ccccc1 ZINC000609901809 356651073 /nfs/dbraw/zinc/65/10/73/356651073.db2.gz ZGOZODWUBFURNH-ZDUSSCGKSA-N 1 0 243.354 2.325 20 30 BEEDRO N#CCC1(CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000088259517 356644904 /nfs/dbraw/zinc/64/49/04/356644904.db2.gz MHTJOAUGBCQRAT-CQSZACIVSA-N 1 0 247.386 2.240 20 30 BEEDRO CC[NH+](CC)[C@H]1CCN(CC2(CC#N)CC2)C1 ZINC000088259514 356644920 /nfs/dbraw/zinc/64/49/20/356644920.db2.gz FFKVOCNPJTYQOV-ZDUSSCGKSA-N 1 0 235.375 2.096 20 30 BEEDRO C[N@H+](CC1CCOCC1)CC1(CC#N)CC1 ZINC000088259546 356645117 /nfs/dbraw/zinc/64/51/17/356645117.db2.gz MKQSZXJQGWOKTN-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCC(C)(C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000352495569 134147220 /nfs/dbraw/zinc/14/72/20/134147220.db2.gz MSZFHYVBFJQJAQ-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO CCC[N@H+](CCCCC#N)CCN1CCCC1 ZINC000352885610 535328870 /nfs/dbraw/zinc/32/88/70/535328870.db2.gz OIZWMYMHTRWYDD-UHFFFAOYSA-N 1 0 237.391 2.488 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000352452018 134145532 /nfs/dbraw/zinc/14/55/32/134145532.db2.gz AAGZSOKJVDKJEP-GFCCVEGCSA-N 1 0 244.338 2.421 20 30 BEEDRO C=C[C@H](CO)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352454718 134145683 /nfs/dbraw/zinc/14/56/83/134145683.db2.gz UWORMFHKINCNCB-DLRQAJBASA-N 1 0 239.265 2.115 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2C)C1 ZINC000623634910 366313881 /nfs/dbraw/zinc/31/38/81/366313881.db2.gz GLZYHAFVFDHVOC-HZSPNIEDSA-N 1 0 222.376 2.415 20 30 BEEDRO COCC1(C)CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000336612452 134151309 /nfs/dbraw/zinc/15/13/09/134151309.db2.gz WJXJSOZIKUACII-OLZOCXBDSA-N 1 0 236.359 2.427 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H](CC)C1CCCCC1 ZINC000179799367 366309080 /nfs/dbraw/zinc/30/90/80/366309080.db2.gz XRGZVGYJEBIMCM-ZDUSSCGKSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]C1CC(OC(C)(C)C)C1 ZINC000352972351 134159119 /nfs/dbraw/zinc/15/91/19/134159119.db2.gz DCAXCGYRBZWQLL-PNESKVBLSA-N 1 0 241.375 2.107 20 30 BEEDRO CC(C)(C)[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000193107935 356700141 /nfs/dbraw/zinc/70/01/41/356700141.db2.gz OYAWOQBHDHLYJY-CQSZACIVSA-N 1 0 231.339 2.035 20 30 BEEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCCC#N)C1 ZINC000353321971 134162945 /nfs/dbraw/zinc/16/29/45/134162945.db2.gz SCRQOJLLZXDXQG-UKRRQHHQSA-N 1 0 243.354 2.325 20 30 BEEDRO CCC[C@@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000450430876 202165334 /nfs/dbraw/zinc/16/53/34/202165334.db2.gz WCFGIYZQGQQDQV-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO CC1(C)CCC[C@]1(O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000354151232 356731328 /nfs/dbraw/zinc/73/13/28/356731328.db2.gz WNXDOIQJFHOBIW-BZPMIXESSA-N 1 0 236.359 2.209 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)s2)[C@H](C)O1 ZINC000384733234 356734505 /nfs/dbraw/zinc/73/45/05/356734505.db2.gz KDGMUTQWHWDTOY-VDDIYKPWSA-N 1 0 236.340 2.275 20 30 BEEDRO CCC[C@H](O)C[N@H+](CCC#N)CC(C)(C)C ZINC000450430877 202166701 /nfs/dbraw/zinc/16/67/01/202166701.db2.gz WCFGIYZQGQQDQV-LBPRGKRZSA-N 1 0 226.364 2.409 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000354069017 134166541 /nfs/dbraw/zinc/16/65/41/134166541.db2.gz WIAFNPZLVXLKAJ-YNEHKIRRSA-N 1 0 240.391 2.337 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H]2CCCO2)cc1F ZINC000404145472 358512478 /nfs/dbraw/zinc/51/24/78/358512478.db2.gz OFWHHUKUGPMZED-CYBMUJFWSA-N 1 0 248.301 2.356 20 30 BEEDRO C=CCCC[N@H+]1CCC=C(c2cnn(C)c2)C1 ZINC000639796970 356755075 /nfs/dbraw/zinc/75/50/75/356755075.db2.gz ZOKPLNOAFDIRFI-UHFFFAOYSA-N 1 0 231.343 2.475 20 30 BEEDRO C#CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000054318131 363567542 /nfs/dbraw/zinc/56/75/42/363567542.db2.gz PZWWYPDLBSUPHI-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C=CC[N@H+](Cc1ccccc1)[C@H]1CCOC1 ZINC000355764825 134175044 /nfs/dbraw/zinc/17/50/44/134175044.db2.gz ZZPHVMIYCIJSAD-AWEZNQCLSA-N 1 0 217.312 2.464 20 30 BEEDRO N#Cc1ccc(N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000089108376 356935852 /nfs/dbraw/zinc/93/58/52/356935852.db2.gz RTNVZNWJYMLCDJ-JSGCOSHPSA-N 1 0 229.327 2.488 20 30 BEEDRO CC(C)OCCC[NH+]1CCC(C)(C#N)CC1 ZINC000356444315 134178192 /nfs/dbraw/zinc/17/81/92/134178192.db2.gz GVSFFSVWHYJSNL-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000411491573 491105438 /nfs/dbraw/zinc/10/54/38/491105438.db2.gz FBGWKATWMMEMBO-JHJVBQTASA-N 1 0 238.375 2.408 20 30 BEEDRO C=CCCCCCN(C)C(=O)[C@H](C)C1C[NH2+]C1 ZINC000357114037 134182099 /nfs/dbraw/zinc/18/20/99/134182099.db2.gz BFHUKLNSUQMRHI-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357349373 134183001 /nfs/dbraw/zinc/18/30/01/134183001.db2.gz FXRMCEVGUWQINW-LBPRGKRZSA-N 1 0 224.348 2.073 20 30 BEEDRO CC[C@H]1C[C@H](C[N@H+](CC)CCC#N)CCO1 ZINC000356926191 134181115 /nfs/dbraw/zinc/18/11/15/134181115.db2.gz SHJYVYYRPAFCQF-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@H](C#N)C[N@H+](CC1CCC(=O)CC1)C1CC1 ZINC000450610353 202211365 /nfs/dbraw/zinc/21/13/65/202211365.db2.gz GMWDWAQKTZXDGT-LLVKDONJSA-N 1 0 234.343 2.370 20 30 BEEDRO C=CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC000357963390 134186399 /nfs/dbraw/zinc/18/63/99/134186399.db2.gz KOZJWMAVXFDKLW-RYUDHWBXSA-N 1 0 236.359 2.036 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1ccsc1 ZINC000389894884 357061852 /nfs/dbraw/zinc/06/18/52/357061852.db2.gz YDNXMCCQPJCWBV-CMPLNLGQSA-N 1 0 225.357 2.206 20 30 BEEDRO CC(C)[N@@H+]1CC[C@@H](CNc2cccnc2C#N)C1 ZINC000129969142 357089323 /nfs/dbraw/zinc/08/93/23/357089323.db2.gz MJJHEOUFWJTYBJ-LBPRGKRZSA-N 1 0 244.342 2.095 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCOCC2CCC2)C1 ZINC000390815249 357117229 /nfs/dbraw/zinc/11/72/29/357117229.db2.gz IYLNYDODVNCSLB-STQMWFEESA-N 1 0 222.332 2.085 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]CCOCC2CCC2)C1 ZINC000390815248 357117346 /nfs/dbraw/zinc/11/73/46/357117346.db2.gz IYLNYDODVNCSLB-QWHCGFSZSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000054669832 363577168 /nfs/dbraw/zinc/57/71/68/363577168.db2.gz PYRJEJKJTUSARS-AWEZNQCLSA-N 1 0 244.338 2.126 20 30 BEEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(C)c[nH]2)C1 ZINC000628406816 357200538 /nfs/dbraw/zinc/20/05/38/357200538.db2.gz RLAQRELFWHKNPX-LLVKDONJSA-N 1 0 205.305 2.116 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2c(C)cnn2C)C1 ZINC000628406263 357201310 /nfs/dbraw/zinc/20/13/10/357201310.db2.gz FVMPJOPJENCSBT-LBPRGKRZSA-N 1 0 219.332 2.127 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)C ZINC000393888796 357306179 /nfs/dbraw/zinc/30/61/79/357306179.db2.gz WYPYGQVBVNHFNI-QWHCGFSZSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CCCCCCNC(=O)C[N@@H+](C)C(C)C ZINC000582736356 357376905 /nfs/dbraw/zinc/37/69/05/357376905.db2.gz WAZWNDUIQBLBSS-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000137743495 357389806 /nfs/dbraw/zinc/38/98/06/357389806.db2.gz PAXIRZCDUCBNNC-UHFFFAOYSA-N 1 0 245.326 2.262 20 30 BEEDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000093419107 357401000 /nfs/dbraw/zinc/40/10/00/357401000.db2.gz GYSCPIBVOGBHBS-GFCCVEGCSA-N 1 0 248.326 2.400 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000360473546 134200880 /nfs/dbraw/zinc/20/08/80/134200880.db2.gz KJSBQQYEGUTITJ-AWEZNQCLSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H]1CN1CCCC1 ZINC000172624354 357379256 /nfs/dbraw/zinc/37/92/56/357379256.db2.gz MRVJRGOVEVENFU-CYBMUJFWSA-N 1 0 208.349 2.123 20 30 BEEDRO Cc1cc(C)n(CC[NH+]2CCC(CC#N)CC2)n1 ZINC000397124609 357504898 /nfs/dbraw/zinc/50/48/98/357504898.db2.gz AMQOGKDDFCTQAA-UHFFFAOYSA-N 1 0 246.358 2.126 20 30 BEEDRO N#CCCCC[NH+]1CCC(CC#N)CC1 ZINC000397207091 357506774 /nfs/dbraw/zinc/50/67/74/357506774.db2.gz UOQDDMVADIGQIG-UHFFFAOYSA-N 1 0 205.305 2.306 20 30 BEEDRO C=CCCCC(=O)N[C@H](C)C[NH+](CC)CC ZINC000359072991 538849486 /nfs/dbraw/zinc/84/94/86/538849486.db2.gz OIIQZADERCNLOJ-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO CO[C@](C)(C[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000361007600 134202776 /nfs/dbraw/zinc/20/27/76/134202776.db2.gz ADIWYTPZDAWIEB-KWCYVHTRSA-N 1 0 236.359 2.473 20 30 BEEDRO CCn1cc(C[NH+]2CCC(CC#N)CC2)cn1 ZINC000397292207 357511528 /nfs/dbraw/zinc/51/15/28/357511528.db2.gz LPVIDGMVEMNJBX-UHFFFAOYSA-N 1 0 232.331 2.029 20 30 BEEDRO C=C(C)CCc1noc([C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000361264860 134204241 /nfs/dbraw/zinc/20/42/41/134204241.db2.gz KIPZTENVYPUPTK-MNOVXSKESA-N 1 0 235.331 2.243 20 30 BEEDRO COC(=O)[C@H](C)[N@H+](C)CCCCC(C)(C)C#N ZINC000361641139 134206880 /nfs/dbraw/zinc/20/68/80/134206880.db2.gz XQGPUUVHXCMCFT-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO COC(C)(C)CC[NH+]1CCC(C)(C#N)CC1 ZINC000230417129 357523398 /nfs/dbraw/zinc/52/33/98/357523398.db2.gz PLLJWGQJANJMOR-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CC[N@@H+](CCOC)C[C@H]1CCO[C@H](CC)C1 ZINC000361646322 134207205 /nfs/dbraw/zinc/20/72/05/134207205.db2.gz VEHYRGGRXDFTPR-UONOGXRCSA-N 1 0 241.375 2.326 20 30 BEEDRO CC#CCC[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000189654772 357656285 /nfs/dbraw/zinc/65/62/85/357656285.db2.gz ABLSIMQYJRZSGX-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H]1CO ZINC000232528602 357663504 /nfs/dbraw/zinc/66/35/04/357663504.db2.gz CDLRROSHSMXCTP-GFCCVEGCSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000189958340 357677742 /nfs/dbraw/zinc/67/77/42/357677742.db2.gz LREQQKZLTVBFCH-SNVBAGLBSA-N 1 0 222.336 2.087 20 30 BEEDRO N#CCCC[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000367824301 134216399 /nfs/dbraw/zinc/21/63/99/134216399.db2.gz QOGUCMNTKZTGAJ-ZDUSSCGKSA-N 1 0 222.332 2.039 20 30 BEEDRO CC(C)[C@H](CO)[NH2+]CCCCC(C)(C)C#N ZINC000232757233 357680793 /nfs/dbraw/zinc/68/07/93/357680793.db2.gz OOLZVEMLDOLCJA-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO CCC[N@H+](CCO)CCCCC(C)(C)C#N ZINC000233027784 357691517 /nfs/dbraw/zinc/69/15/17/357691517.db2.gz GOIASKUJJWSLFT-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO C=CC[N@@H+](CCOC)CC1(O)CCC(C)CC1 ZINC000191118859 357752050 /nfs/dbraw/zinc/75/20/50/357752050.db2.gz VZJCICKFIVUEKA-UHFFFAOYSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CC[N@@H+](C)[C@@H](COC)Cc1ccccc1 ZINC000191475492 357772180 /nfs/dbraw/zinc/77/21/80/357772180.db2.gz SLIVJWDLAOBEBR-CQSZACIVSA-N 1 0 219.328 2.362 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccnc1C ZINC000191764354 357794978 /nfs/dbraw/zinc/79/49/78/357794978.db2.gz NVIGVPIBSKJZOI-UHFFFAOYSA-N 1 0 220.316 2.024 20 30 BEEDRO CC(C)C[C@]1(CO)CCC[N@@H+]1CCCC#N ZINC000191640055 357780276 /nfs/dbraw/zinc/78/02/76/357780276.db2.gz BQQXBLFTXFYARQ-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@@H](O)CC[N@H+](C)CCCCC(C)(C)C#N ZINC000235219938 357858644 /nfs/dbraw/zinc/85/86/44/357858644.db2.gz XAWAQGVENGCPNG-GFCCVEGCSA-N 1 0 226.364 2.409 20 30 BEEDRO C[C@@H]1CC[N@H+](CCCCC(C)(C)C#N)C[C@@H]1O ZINC000235279590 357859177 /nfs/dbraw/zinc/85/91/77/357859177.db2.gz QDQWIMYQBIUZQS-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCC[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000168532057 134225798 /nfs/dbraw/zinc/22/57/98/134225798.db2.gz YWOLKTQIHWIDEQ-NWDGAFQWSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CCC1(C(=O)NCC[NH2+]C(C)(C)C)CCC1 ZINC000192374024 357830144 /nfs/dbraw/zinc/83/01/44/357830144.db2.gz OGGXVBMXIHFWGT-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO C#CCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000370008199 134223817 /nfs/dbraw/zinc/22/38/17/134223817.db2.gz HMNSTKNGPUGANB-HNNXBMFYSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CCCCCC[NH+]1CCC(C(=O)NC)CC1 ZINC000193299598 357873559 /nfs/dbraw/zinc/87/35/59/357873559.db2.gz OZNLEKZATFBVMC-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000168596581 134227901 /nfs/dbraw/zinc/22/79/01/134227901.db2.gz JPZLYPQRJVVRNN-NEPJUHHUSA-N 1 0 231.343 2.159 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CCCC(C)(C)C#N ZINC000235596566 357882209 /nfs/dbraw/zinc/88/22/09/357882209.db2.gz DEEVXHWKFXDLBC-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO C[N@H+](CCCC#N)CCC1CCOCC1 ZINC000120531045 134229705 /nfs/dbraw/zinc/22/97/05/134229705.db2.gz JAHXAKYMUWICJD-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO N#CCc1ccc(C[NH2+]CC[C@H]2CCOC2)cc1 ZINC000399120517 357896588 /nfs/dbraw/zinc/89/65/88/357896588.db2.gz HXNBTWPFTYSWKO-HNNXBMFYSA-N 1 0 244.338 2.269 20 30 BEEDRO CCOCC[NH+]1CCC(CCC#N)CC1 ZINC000399351568 357904067 /nfs/dbraw/zinc/90/40/67/357904067.db2.gz MVFFEAQEQGJOSU-UHFFFAOYSA-N 1 0 210.321 2.039 20 30 BEEDRO COC[C@H](C)[NH+]1CCC(CCC#N)CC1 ZINC000399347722 357904245 /nfs/dbraw/zinc/90/42/45/357904245.db2.gz KWOCFSMVMYXVOU-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO CO[C@@H](C)C[NH+]1CCC(CCC#N)CC1 ZINC000399370341 357905079 /nfs/dbraw/zinc/90/50/79/357905079.db2.gz VHLJLRLYBVWQJY-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C#CC[N@@H+]1C[C@@H](C)C[C@H]1c1cccnc1 ZINC000373412904 134234456 /nfs/dbraw/zinc/23/44/56/134234456.db2.gz OBESTEZVGLVYDV-AAEUAGOBSA-N 1 0 200.285 2.098 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H](C)CN(C)C)cc1 ZINC000168633527 134234735 /nfs/dbraw/zinc/23/47/35/134234735.db2.gz IZDWKPJWHMHDIG-CYBMUJFWSA-N 1 0 248.370 2.291 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000583747398 357932731 /nfs/dbraw/zinc/93/27/31/357932731.db2.gz MCSUDXCFOXGAOS-QNSTZXKLSA-N 1 0 221.344 2.356 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1cccc(COC)c1 ZINC000321503940 259475000 /nfs/dbraw/zinc/47/50/00/259475000.db2.gz VEFOIXBCQPUCPH-OAHLLOKOSA-N 1 0 249.354 2.250 20 30 BEEDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000349849320 357986471 /nfs/dbraw/zinc/98/64/71/357986471.db2.gz CAVQXDWEHMHQQL-XQJDBVBESA-N 1 0 248.301 2.114 20 30 BEEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CCC(C)(C)C#N ZINC000305669495 134242045 /nfs/dbraw/zinc/24/20/45/134242045.db2.gz JFTWZMBSYVMGGD-NWDGAFQWSA-N 1 0 224.348 2.162 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1CCCC(C)(C)C#N ZINC000610605193 358010780 /nfs/dbraw/zinc/01/07/80/358010780.db2.gz PKNKWWLUQZVTNA-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1F ZINC000610605155 358011227 /nfs/dbraw/zinc/01/12/27/358011227.db2.gz NTMRJBDLLLGEIE-ZDUSSCGKSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CC[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000378408912 134245778 /nfs/dbraw/zinc/24/57/78/134245778.db2.gz YGLQCANOOKRQSS-QWHCGFSZSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCCC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376454739 134242242 /nfs/dbraw/zinc/24/22/42/134242242.db2.gz MURIVOKMPBYOQQ-QWHCGFSZSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H]1CCC[C@@H](CO)[N@@H+]1CCC(C)(C)C#N ZINC000305686611 134242252 /nfs/dbraw/zinc/24/22/52/134242252.db2.gz QAEDCTYYLLIHHN-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO N#CCC[C@@H](C#N)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000378322715 134246021 /nfs/dbraw/zinc/24/60/21/134246021.db2.gz XGRKMXUNPKLGGA-WCQYABFASA-N 1 0 217.316 2.162 20 30 BEEDRO CCCC[N@H+](C)C[C@H](C)Nc1ncccc1C#N ZINC000288860333 168776510 /nfs/dbraw/zinc/77/65/10/168776510.db2.gz KKQZRNNIJBROAY-LBPRGKRZSA-N 1 0 246.358 2.486 20 30 BEEDRO COc1ccc2c(c1)[C@@H](NCCC#N)CCO2 ZINC000037240347 358060835 /nfs/dbraw/zinc/06/08/35/358060835.db2.gz JHAUCPLOKDGASX-LBPRGKRZSA-N 1 0 232.283 2.022 20 30 BEEDRO N#Cc1ccccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000051896554 358092826 /nfs/dbraw/zinc/09/28/26/358092826.db2.gz XTQYFXNNWNCTRQ-CYBMUJFWSA-N 1 0 244.338 2.153 20 30 BEEDRO N#Cc1ccc(C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000584616195 358107871 /nfs/dbraw/zinc/10/78/71/358107871.db2.gz HKELAKUSWQIEML-UHFFFAOYSA-N 1 0 245.282 2.452 20 30 BEEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(C#N)o1 ZINC000610740618 358133977 /nfs/dbraw/zinc/13/39/77/358133977.db2.gz RZHCYJJDTOKQFS-WDEREUQCSA-N 1 0 234.299 2.056 20 30 BEEDRO C=CC[NH+]1CCC(NC(=O)C(CC)CC)CC1 ZINC000171719218 134260722 /nfs/dbraw/zinc/26/07/22/134260722.db2.gz RRJCGZDWLKCQFE-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000640092044 358184878 /nfs/dbraw/zinc/18/48/78/358184878.db2.gz RPAVZXLHUDUNKC-UPJWGTAASA-N 1 0 209.333 2.188 20 30 BEEDRO C=CCCC[NH2+]Cc1cc2c(cc1OC)OCO2 ZINC000584819842 358196203 /nfs/dbraw/zinc/19/62/03/358196203.db2.gz UCUSUCZQZLWCKZ-UHFFFAOYSA-N 1 0 249.310 2.480 20 30 BEEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cccc(F)c1C#N ZINC000351509256 358211680 /nfs/dbraw/zinc/21/16/80/358211680.db2.gz KRSYFHRFSJQFLM-GHMZBOCLSA-N 1 0 247.317 2.226 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)C[C@H](O)CCC ZINC000450696795 202236939 /nfs/dbraw/zinc/23/69/39/202236939.db2.gz LYWIGMABFATPEV-CYBMUJFWSA-N 1 0 237.343 2.471 20 30 BEEDRO N#Cc1c(Cl)cccc1N1CCC(C[NH3+])CC1 ZINC000052906222 358245718 /nfs/dbraw/zinc/24/57/18/358245718.db2.gz SYHOFMIXNGFFKI-UHFFFAOYSA-N 1 0 249.745 2.387 20 30 BEEDRO CCC(=O)CCC[NH+]1CCC(C)(C#N)CC1 ZINC000450702949 202240341 /nfs/dbraw/zinc/24/03/41/202240341.db2.gz BICCRRPTHXAEHH-UHFFFAOYSA-N 1 0 222.332 2.371 20 30 BEEDRO C[C@]1([NH2+]CC2(C#N)CCC2)CCO[C@@H]1C1CC1 ZINC000450710382 202242407 /nfs/dbraw/zinc/24/24/07/202242407.db2.gz BITWOAOSMQTYOK-OLZOCXBDSA-N 1 0 234.343 2.227 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000055908669 363605071 /nfs/dbraw/zinc/60/50/71/363605071.db2.gz JGUQEQFTUKTDFC-CQSZACIVSA-N 1 0 217.287 2.466 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1(OC)CCOCC1 ZINC000090652847 491129517 /nfs/dbraw/zinc/12/95/17/491129517.db2.gz UTYPICOPBGQWJF-QWHCGFSZSA-N 1 0 241.375 2.372 20 30 BEEDRO CCNC(=[NH2+])NC[C@H](CC)Oc1ccccc1C ZINC000267712338 535423495 /nfs/dbraw/zinc/42/34/95/535423495.db2.gz TWBVGCWFLJMIIG-LBPRGKRZSA-N 1 0 249.358 2.077 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NCC[NH+]1CCCCC1 ZINC000134947369 325384086 /nfs/dbraw/zinc/38/40/86/325384086.db2.gz RLGHYDGDFFYKMI-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](O)CC ZINC000124448682 358517489 /nfs/dbraw/zinc/51/74/89/358517489.db2.gz HPNHIAOIICQEPL-ZDUSSCGKSA-N 1 0 235.327 2.112 20 30 BEEDRO CC(C)[N@H+](Cc1ccnc(C#N)c1)C1CC1 ZINC000610991681 358423521 /nfs/dbraw/zinc/42/35/21/358423521.db2.gz CMWWFYZIXIRWND-UHFFFAOYSA-N 1 0 215.300 2.326 20 30 BEEDRO COc1ccc(C[N@H+](C)CCCCC#N)cn1 ZINC000610999265 358425726 /nfs/dbraw/zinc/42/57/26/358425726.db2.gz VYXKKLRATDSDJM-UHFFFAOYSA-N 1 0 233.315 2.216 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1C ZINC000126810884 358556851 /nfs/dbraw/zinc/55/68/51/358556851.db2.gz QRYLMMVCFDBZDG-SNVBAGLBSA-N 1 0 221.348 2.481 20 30 BEEDRO C=CCNC(=O)C[N@H+]1CCC[C@](C)(CCC)C1 ZINC000174450887 134281828 /nfs/dbraw/zinc/28/18/28/134281828.db2.gz NHAYYZMQMVABLR-AWEZNQCLSA-N 1 0 238.375 2.191 20 30 BEEDRO CO[C@@]1(C)C[C@@H]([N@H+](C)CCCC#N)C1(C)C ZINC000174477923 134281906 /nfs/dbraw/zinc/28/19/06/134281906.db2.gz NRNMHONUTNKMSQ-YPMHNXCESA-N 1 0 224.348 2.426 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000124728663 358525790 /nfs/dbraw/zinc/52/57/90/358525790.db2.gz PLJZPRLGLHRNKW-ZNMIVQPWSA-N 1 0 235.371 2.415 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613661960 363612540 /nfs/dbraw/zinc/61/25/40/363612540.db2.gz ZCWZGAIROWIKGH-VXGBXAGGSA-N 1 0 238.375 2.188 20 30 BEEDRO CO[C@]1(C)C[C@@H]([NH2+]CCCCC#N)C1(C)C ZINC000125196510 358535900 /nfs/dbraw/zinc/53/59/00/358535900.db2.gz JAABBNZYPJKIOY-DGCLKSJQSA-N 1 0 224.348 2.473 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613663370 363613810 /nfs/dbraw/zinc/61/38/10/363613810.db2.gz YDZYPWSXOLHBJI-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCSCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000129362600 358585282 /nfs/dbraw/zinc/58/52/82/358585282.db2.gz QANATAYYOPHLJW-RYUDHWBXSA-N 1 0 229.389 2.310 20 30 BEEDRO CC(C)(CCC#N)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000129591988 358588536 /nfs/dbraw/zinc/58/85/36/358588536.db2.gz YAPIJBOZAFACHV-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1CCCC[C@@H]1O ZINC000131664327 358687646 /nfs/dbraw/zinc/68/76/46/358687646.db2.gz KCKADFOIALQLPI-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO N#CCCCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000131811553 358695941 /nfs/dbraw/zinc/69/59/41/358695941.db2.gz QNIMNGFUSLUJMG-CQSZACIVSA-N 1 0 245.326 2.229 20 30 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2.204 20 30 BEEDRO C=C(C)CC[N@H+]1CCN(C2CC2)C[C@H](C)C1 ZINC000451093096 202350756 /nfs/dbraw/zinc/35/07/56/202350756.db2.gz MZQGARYEQFXFPX-CYBMUJFWSA-N 1 0 222.376 2.369 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000309120271 491145182 /nfs/dbraw/zinc/14/51/82/491145182.db2.gz NKCVSRHCYJLDQW-YNEHKIRRSA-N 1 0 209.333 2.193 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000309120270 491145195 /nfs/dbraw/zinc/14/51/95/491145195.db2.gz NKCVSRHCYJLDQW-XQQFMLRXSA-N 1 0 209.333 2.193 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H](C)C1 ZINC000612410080 359836662 /nfs/dbraw/zinc/83/66/62/359836662.db2.gz ZXQXDQJOSKVSGC-IPYPFGDCSA-N 1 0 249.402 2.389 20 30 BEEDRO C[C@H]1CN(C2CC2)CC[N@H+](CCCCC#N)C1 ZINC000451076888 202347634 /nfs/dbraw/zinc/34/76/34/202347634.db2.gz BGDZIHXRNCIOTJ-CYBMUJFWSA-N 1 0 235.375 2.096 20 30 BEEDRO CCC#C[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000309136269 491145426 /nfs/dbraw/zinc/14/54/26/491145426.db2.gz SCMPQQOLHPIJHO-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO CC(C)(C#N)CCC[N@H+](C1CC1)C1COC1 ZINC000451123864 202361441 /nfs/dbraw/zinc/36/14/41/202361441.db2.gz BXJLMMHIAZINCY-UHFFFAOYSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@H](C#N)C[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000612586592 359899550 /nfs/dbraw/zinc/89/95/50/359899550.db2.gz WXTXAPGECLGCOK-NEPJUHHUSA-N 1 0 230.311 2.302 20 30 BEEDRO CC1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2C#N)CC1 ZINC000087062750 359895730 /nfs/dbraw/zinc/89/57/30/359895730.db2.gz DBMFWCMDSTVWRS-YIFLHPOLSA-N 1 0 236.359 2.209 20 30 BEEDRO COC(=O)C[N@H+](CCCC(C)(C)C#N)C(C)C ZINC000087607104 359919613 /nfs/dbraw/zinc/91/96/13/359919613.db2.gz PHUUPOXSHMOYSQ-UHFFFAOYSA-N 1 0 240.347 2.200 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CC=C(C)CC1 ZINC000578834226 366654012 /nfs/dbraw/zinc/65/40/12/366654012.db2.gz JFFLUSNRVUXJFC-QWHCGFSZSA-N 1 0 209.333 2.402 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000578759419 366640851 /nfs/dbraw/zinc/64/08/51/366640851.db2.gz LIALAMZGZWCSAL-OUCADQQQSA-N 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CCC[C@H](C)[C@H](CO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000576045638 365462984 /nfs/dbraw/zinc/46/29/84/365462984.db2.gz JVZDQUUCGOALPH-LOWDOPEQSA-N 1 0 224.348 2.065 20 30 BEEDRO CC1(C)C[N@H+](CCOCCC#N)[C@@H]2CCC[C@@H]21 ZINC000339719906 365468565 /nfs/dbraw/zinc/46/85/65/365468565.db2.gz WQIVAEFHBFHMPL-QWHCGFSZSA-N 1 0 236.359 2.427 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ncccc1O ZINC000575956171 365424955 /nfs/dbraw/zinc/42/49/55/365424955.db2.gz MWEJKHXBAVFSLR-LLVKDONJSA-N 1 0 218.300 2.328 20 30 BEEDRO C=CCCCC[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000576106390 365489017 /nfs/dbraw/zinc/48/90/17/365489017.db2.gz SYEWNNVOBUXRON-OLZOCXBDSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000576119839 365493039 /nfs/dbraw/zinc/49/30/39/365493039.db2.gz UBGZTPUKFZFOPP-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO COCC[N@@H+](Cc1ccc(C#N)cn1)CC(C)C ZINC000576169418 365509260 /nfs/dbraw/zinc/50/92/60/365509260.db2.gz HPVPWOBKFJGLKQ-UHFFFAOYSA-N 1 0 247.342 2.058 20 30 BEEDRO 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BEEDRO C=CCCCCCN(C)c1cc[nH+]cc1C(N)=O ZINC000184121325 367064914 /nfs/dbraw/zinc/06/49/14/367064914.db2.gz HGBJKRPLNNYRLH-UHFFFAOYSA-N 1 0 247.342 2.363 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000185475732 367133354 /nfs/dbraw/zinc/13/33/54/367133354.db2.gz GPKAQVNPJOPQJV-LBPRGKRZSA-N 1 0 242.326 2.494 20 30 BEEDRO C=CCCC[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367617250 367087022 /nfs/dbraw/zinc/08/70/22/367087022.db2.gz QDZXBGBMRSDXDD-NSHDSACASA-N 1 0 205.305 2.343 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367597903 367087079 /nfs/dbraw/zinc/08/70/79/367087079.db2.gz CMERZMYDXGVDLQ-ONGXEEELSA-N 1 0 205.305 2.341 20 30 BEEDRO C[C@H](C#N)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193312567 367165308 /nfs/dbraw/zinc/16/53/08/367165308.db2.gz AGMBYRXDNDYBST-GFCCVEGCSA-N 1 0 244.338 2.303 20 30 BEEDRO C=CCCCC[NH2+][C@H](C)c1nnc(C)o1 ZINC000380358692 367191467 /nfs/dbraw/zinc/19/14/67/367191467.db2.gz XJLQYZWCJQONDQ-SECBINFHSA-N 1 0 209.293 2.385 20 30 BEEDRO CC1CCC(O)(C[NH2+]CC(C)(C)CC#N)CC1 ZINC000580887857 367197627 /nfs/dbraw/zinc/19/76/27/367197627.db2.gz CYJBHUCXPJZYRT-UHFFFAOYSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765783 370843762 /nfs/dbraw/zinc/84/37/62/370843762.db2.gz XOSUWDUPJCDMQI-JTQLQIEISA-N 1 0 215.300 2.184 20 30 BEEDRO CC(C)[C@H](C)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000068765796 370843962 /nfs/dbraw/zinc/84/39/62/370843962.db2.gz NLLPVCURCFHOLC-NSHDSACASA-N 1 0 217.316 2.430 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccnc(C#N)c2)C1 ZINC000068765523 370844072 /nfs/dbraw/zinc/84/40/72/370844072.db2.gz GQADWJBPFTXOQH-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO CC(C)(C#N)CC[NH+]1CCC(CCO)CC1 ZINC000380408437 367203680 /nfs/dbraw/zinc/20/36/80/367203680.db2.gz PVTOAEYWCNHLEP-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO C[N@H+](Cc1ccnc(C#N)c1)CC(C)(C)C ZINC000068766510 370846003 /nfs/dbraw/zinc/84/60/03/370846003.db2.gz XUBFOUUSPVEWSM-UHFFFAOYSA-N 1 0 217.316 2.431 20 30 BEEDRO C=CCC[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000581009406 367233058 /nfs/dbraw/zinc/23/30/58/367233058.db2.gz LACNXHMZOOCVGF-ZDUSSCGKSA-N 1 0 202.301 2.447 20 30 BEEDRO N#Cc1cccc(CNCC2([NH3+])CCCCC2)c1 ZINC000581073606 367253680 /nfs/dbraw/zinc/25/36/80/367253680.db2.gz FZYMZHYPDFSMKQ-UHFFFAOYSA-N 1 0 243.354 2.309 20 30 BEEDRO C=CCCCCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000380710848 367283098 /nfs/dbraw/zinc/28/30/98/367283098.db2.gz MZADOZSPBHNGNF-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[N@@H+](CCOC)Cc1cccc(OC)c1 ZINC000195000095 367330136 /nfs/dbraw/zinc/33/01/36/367330136.db2.gz XJHZYYCUQHUYEK-UHFFFAOYSA-N 1 0 235.327 2.330 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000195222112 367350002 /nfs/dbraw/zinc/35/00/02/367350002.db2.gz GEARLBWAMGEMAH-UHFFFAOYSA-N 1 0 206.245 2.213 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC1([NH3+])CCCCC1 ZINC000581198621 367291650 /nfs/dbraw/zinc/29/16/50/367291650.db2.gz UGUPCUMSBSGBQU-GFCCVEGCSA-N 1 0 238.375 2.367 20 30 BEEDRO Cc1ccc(CC[NH2+][C@H]2CC[C@H](C#N)C2)o1 ZINC000381413115 367398268 /nfs/dbraw/zinc/39/82/68/367398268.db2.gz VEPYDLQDAALJCN-RYUDHWBXSA-N 1 0 218.300 2.412 20 30 BEEDRO C=C1CC(C)(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000630898960 367553231 /nfs/dbraw/zinc/55/32/31/367553231.db2.gz FJVUVJBOUABOES-CYBMUJFWSA-N 1 0 248.370 2.039 20 30 BEEDRO CC[N@H+](CCC#N)CC1CC(F)(F)C1 ZINC000383144388 367600945 /nfs/dbraw/zinc/60/09/45/367600945.db2.gz GEIFDNJNVKZUFT-UHFFFAOYSA-N 1 0 202.248 2.267 20 30 BEEDRO C[C@H]1[C@@H](O)CCC[N@@H+]1CCCC(C)(C)C#N ZINC000385045343 367778963 /nfs/dbraw/zinc/77/89/63/367778963.db2.gz RWGKODKYLMKQCV-RYUDHWBXSA-N 1 0 224.348 2.162 20 30 BEEDRO C=CC(C)(C)C[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000385571478 367843960 /nfs/dbraw/zinc/84/39/60/367843960.db2.gz ZVJOYDZWOOZZLX-UHFFFAOYSA-N 1 0 246.354 2.348 20 30 BEEDRO CC(C)(C#N)CC[NH2+][C@H](CO)C1CCCCC1 ZINC000386055239 367905058 /nfs/dbraw/zinc/90/50/58/367905058.db2.gz AGBLJURJRDSKRW-CYBMUJFWSA-N 1 0 238.375 2.457 20 30 BEEDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCCC(C)(C)C#N ZINC000385953668 367889145 /nfs/dbraw/zinc/88/91/45/367889145.db2.gz NBAWVPDWPIRHHH-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CCC(C)(C)C#N ZINC000386251133 367939730 /nfs/dbraw/zinc/93/97/30/367939730.db2.gz JERDOOIBNNCZLN-RYUDHWBXSA-N 1 0 224.348 2.019 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cc2c(c(OC)c1)OCO2 ZINC000386781831 368021802 /nfs/dbraw/zinc/02/18/02/368021802.db2.gz MKNPGINBPGXNIU-UHFFFAOYSA-N 1 0 249.310 2.480 20 30 BEEDRO Cc1cc(C)n(CCC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000442632561 201578484 /nfs/dbraw/zinc/57/84/84/201578484.db2.gz DNPLUWMIVDWDDJ-KBPBESRZSA-N 1 0 246.358 2.172 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(OC)ns1 ZINC000399319435 368158969 /nfs/dbraw/zinc/15/89/69/368158969.db2.gz PJIZDMPWDWEBMT-UHFFFAOYSA-N 1 0 212.318 2.208 20 30 BEEDRO C=C(C)CN(CC)C(=O)C[NH+]1C2CCC1CC2 ZINC000642525496 368173313 /nfs/dbraw/zinc/17/33/13/368173313.db2.gz REISPGKGDIMCOH-UHFFFAOYSA-N 1 0 236.359 2.038 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(C)c(OC)c1 ZINC000566424142 326044451 /nfs/dbraw/zinc/04/44/51/326044451.db2.gz IWNHMDVGMMKSSW-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@H](O)C(F)F ZINC000631697631 368240263 /nfs/dbraw/zinc/24/02/63/368240263.db2.gz NUXLGDBSQOTMIE-UWVGGRQHSA-N 1 0 221.291 2.337 20 30 BEEDRO Cc1cc(C[NH2+][C@H](C)C[C@H](C)O)ccc1C#N ZINC000443992405 201607053 /nfs/dbraw/zinc/60/70/53/201607053.db2.gz XFPHBIVOICINBF-NEPJUHHUSA-N 1 0 232.327 2.116 20 30 BEEDRO C=CC[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000061784235 368570307 /nfs/dbraw/zinc/57/03/07/368570307.db2.gz JSSVIFMBBJGFDU-UHFFFAOYSA-N 1 0 221.300 2.192 20 30 BEEDRO N#CC[C@H]1CCC[N@H+](C[C@@H]2CCSC2)C1 ZINC000259649763 370928189 /nfs/dbraw/zinc/92/81/89/370928189.db2.gz BLIFAALEOZTZHF-NEPJUHHUSA-N 1 0 224.373 2.365 20 30 BEEDRO N#CCN1CC[NH+](CCC2CCCCC2)CC1 ZINC000072516316 368772998 /nfs/dbraw/zinc/77/29/98/368772998.db2.gz KYQPVVZBHYIITC-UHFFFAOYSA-N 1 0 235.375 2.098 20 30 BEEDRO 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235.375 2.000 20 30 BEEDRO COC[C@@H](C)C[NH2+][C@H]1CCc2cc(C#N)ccc21 ZINC000618831418 369222908 /nfs/dbraw/zinc/22/29/08/369222908.db2.gz PWAIMYCLNNYXDJ-NHYWBVRUSA-N 1 0 244.338 2.418 20 30 BEEDRO C=CCC1(NC(=O)C[N@@H+](C)CCC)CCCC1 ZINC000619104492 369283701 /nfs/dbraw/zinc/28/37/01/369283701.db2.gz MXBWWEDRCSALHE-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO CSC[C@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000164656216 203248497 /nfs/dbraw/zinc/24/84/97/203248497.db2.gz JMYMVMVMARGZNK-NSHDSACASA-N 1 0 244.404 2.020 20 30 BEEDRO C=CCCC[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000459511896 203293396 /nfs/dbraw/zinc/29/33/96/203293396.db2.gz YHQORXMVYPWIAO-WOPDTQHZSA-N 1 0 229.389 2.451 20 30 BEEDRO C=CC[N@@H+](CCc1ccco1)CC1(O)CCC1 ZINC000459407906 203277884 /nfs/dbraw/zinc/27/78/84/203277884.db2.gz WWNQHUVLKXTQRY-UHFFFAOYSA-N 1 0 235.327 2.225 20 30 BEEDRO C=CC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459585419 203307761 /nfs/dbraw/zinc/30/77/61/203307761.db2.gz PCZLNVPPNHBPRM-ZDUSSCGKSA-N 1 0 225.332 2.226 20 30 BEEDRO CO[C@H](C[N@@H+]1CCC[C@H](CC#N)C1)C1CC1 ZINC000400108393 369341828 /nfs/dbraw/zinc/34/18/28/369341828.db2.gz DPOYZXSLVGOCBA-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO C=CCOc1cccc(C[NH+]2CC(CCO)C2)c1 ZINC000459593198 203310725 /nfs/dbraw/zinc/31/07/25/203310725.db2.gz OQCDEPNJGWBQSA-UHFFFAOYSA-N 1 0 247.338 2.066 20 30 BEEDRO C=CCC[N@H+]1CCc2c(cccc2C(=O)OC)C1 ZINC000459552391 203299465 /nfs/dbraw/zinc/29/94/65/203299465.db2.gz ZEBXEALIFUXQLJ-UHFFFAOYSA-N 1 0 245.322 2.407 20 30 BEEDRO CC[C@H]1C[N@H+](CCCC#N)[C@@H](CC)CO1 ZINC000403914724 369415973 /nfs/dbraw/zinc/41/59/73/369415973.db2.gz OJTOOGIMWNJRTD-RYUDHWBXSA-N 1 0 210.321 2.180 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+](CCCO)C1CC1 ZINC000404213887 369422470 /nfs/dbraw/zinc/42/24/70/369422470.db2.gz APTBKMYWYSCZJY-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)C#N)[C@@H]1CCCCO1 ZINC000405119000 369446842 /nfs/dbraw/zinc/44/68/42/369446842.db2.gz GYOQDFSJPOVXIT-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO CC[N@H+](Cc1ccc(C#N)c(C)c1)[C@H]1CCOC1 ZINC000361249878 369439744 /nfs/dbraw/zinc/43/97/44/369439744.db2.gz IELKJYORNZPIJE-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCCC1)C1CCOCC1 ZINC000405088202 369444236 /nfs/dbraw/zinc/44/42/36/369444236.db2.gz OQHQDDUJCBHINM-LBPRGKRZSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[N@H+](CC1(CC#N)CC1)[C@H]1CCCOC1 ZINC000402810193 369393109 /nfs/dbraw/zinc/39/31/09/369393109.db2.gz DKXZVVCBJLNOFE-LBPRGKRZSA-N 1 0 222.332 2.181 20 30 BEEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1 ZINC000230668760 369453981 /nfs/dbraw/zinc/45/39/81/369453981.db2.gz BIHUQTAPSMGNGS-LSDHHAIUSA-N 1 0 244.338 2.199 20 30 BEEDRO CCOC1CC([NH2+]CC(C)(C)CC#N)C1 ZINC000459683917 203337655 /nfs/dbraw/zinc/33/76/55/203337655.db2.gz BMDWIMLEVJXGBG-UHFFFAOYSA-N 1 0 210.321 2.083 20 30 BEEDRO CSCCC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000304198318 369460253 /nfs/dbraw/zinc/46/02/53/369460253.db2.gz VKAPPRIZTIKOKW-UHFFFAOYSA-N 1 0 235.356 2.138 20 30 BEEDRO CC(C)(CC#N)C[NH2+]Cc1ccncc1 ZINC000459707344 203339234 /nfs/dbraw/zinc/33/92/34/203339234.db2.gz ZVRLGORQIJJHLB-UHFFFAOYSA-N 1 0 203.289 2.111 20 30 BEEDRO C[C@@H](CCn1cccn1)[NH2+]CC(C)(C)CC#N ZINC000459726758 203341862 /nfs/dbraw/zinc/34/18/62/203341862.db2.gz FMUSFZRBAHLTIB-LBPRGKRZSA-N 1 0 234.347 2.191 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)[C@@H]1CCCOC1 ZINC000459730448 203344776 /nfs/dbraw/zinc/34/47/76/203344776.db2.gz MIVSIDZCTZTPKH-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=Cn1cc(C[NH2+]CC(C)(C)CC#N)cn1 ZINC000459727670 203345340 /nfs/dbraw/zinc/34/53/40/203345340.db2.gz HMYLNICLOWWMJI-UHFFFAOYSA-N 1 0 218.304 2.013 20 30 BEEDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000459735177 203347171 /nfs/dbraw/zinc/34/71/71/203347171.db2.gz DFDQVFDOGFCXJP-KGLIPLIRSA-N 1 0 230.311 2.215 20 30 BEEDRO CC(C)(CC#N)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000459734744 203348070 /nfs/dbraw/zinc/34/80/70/203348070.db2.gz STDZENKIHIBWLB-GHMZBOCLSA-N 1 0 205.305 2.208 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000459749279 203354375 /nfs/dbraw/zinc/35/43/75/203354375.db2.gz YJUBBXIXIHYXHS-LBPRGKRZSA-N 1 0 211.349 2.434 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459763301 203359827 /nfs/dbraw/zinc/35/98/27/203359827.db2.gz CCFDHBICWIXDHY-FVCCEPFGSA-N 1 0 217.316 2.208 20 30 BEEDRO CC#CCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459827092 203376492 /nfs/dbraw/zinc/37/64/92/203376492.db2.gz MVGKCSBSYIYLSN-LBPRGKRZSA-N 1 0 239.359 2.309 20 30 BEEDRO Cc1ncc(C[NH2+]CCc2ccc(C#N)cc2)o1 ZINC000600178312 369512845 /nfs/dbraw/zinc/51/28/45/369512845.db2.gz OBXCEBWVQRGNLP-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO C[N@H+](Cc1cc(C#N)cs1)CC1(C)COC1 ZINC000600192867 369514141 /nfs/dbraw/zinc/51/41/41/369514141.db2.gz YPXVYCFADVBDGU-UHFFFAOYSA-N 1 0 236.340 2.088 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(C#N)cc2F)C[C@H]1C ZINC000250385754 369519831 /nfs/dbraw/zinc/51/98/31/369519831.db2.gz XMQIPACXFZRNSD-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CC2(CO)CCCCC2)C1 ZINC000619673011 369521147 /nfs/dbraw/zinc/52/11/47/369521147.db2.gz BWUWUXAJGSENGU-OLZOCXBDSA-N 1 0 236.359 2.211 20 30 BEEDRO CCC[C@H](C)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000619719886 369550346 /nfs/dbraw/zinc/55/03/46/369550346.db2.gz KJISQTKFPLGSTA-KBPBESRZSA-N 1 0 237.391 2.341 20 30 BEEDRO C=C[C@@H](C(=O)OC)N1CCC[C@H](C(C)C)C1 ZINC000619722165 369552740 /nfs/dbraw/zinc/55/27/40/369552740.db2.gz PHCZMKIKXGLAJC-RYUDHWBXSA-N 1 0 225.332 2.082 20 30 BEEDRO N#Cc1c(Cl)cccc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600886052 369571930 /nfs/dbraw/zinc/57/19/30/369571930.db2.gz KLZRSYMEVZBGNH-AOOOYVTPSA-N 1 0 247.729 2.152 20 30 BEEDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000601292078 369620447 /nfs/dbraw/zinc/62/04/47/369620447.db2.gz RCGYANAGOVNPLX-BREBYQMCSA-N 1 0 248.301 2.119 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccc(C#N)c(F)c1 ZINC000601292079 369620505 /nfs/dbraw/zinc/62/05/05/369620505.db2.gz RCGYANAGOVNPLX-OUJBWJOFSA-N 1 0 248.301 2.119 20 30 BEEDRO Cc1cc(C[NH2+]CCc2ccc(C#N)cc2)on1 ZINC000601130996 369595536 /nfs/dbraw/zinc/59/55/36/369595536.db2.gz DDZNKLBPCJDIMV-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccnc1C#N ZINC000274068541 369637796 /nfs/dbraw/zinc/63/77/96/369637796.db2.gz PORRPYRJHCGGKM-GFCCVEGCSA-N 1 0 244.342 2.240 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601972632 369730438 /nfs/dbraw/zinc/73/04/38/369730438.db2.gz HRNCCWYMGNAAOE-TUKIKUTGSA-N 1 0 242.322 2.197 20 30 BEEDRO CCOCCC[NH2+]Cc1cccc(F)c1C#N ZINC000601997986 369732256 /nfs/dbraw/zinc/73/22/56/369732256.db2.gz ORHJFIGIWHQOOX-UHFFFAOYSA-N 1 0 236.290 2.214 20 30 BEEDRO CC[C@@H](COC)[NH2+]Cc1cccc(F)c1C#N ZINC000602008773 369733440 /nfs/dbraw/zinc/73/34/40/369733440.db2.gz UGHIRONWQFOPHC-NSHDSACASA-N 1 0 236.290 2.212 20 30 BEEDRO C[C@]1(C[NH2+]Cc2cccc(F)c2C#N)CCOC1 ZINC000602002790 369734027 /nfs/dbraw/zinc/73/40/27/369734027.db2.gz AVNVNSKYCGKAJG-CQSZACIVSA-N 1 0 248.301 2.214 20 30 BEEDRO CCC(CC)C[NH2+]Cc1cccc(C#N)n1 ZINC000602511107 369802048 /nfs/dbraw/zinc/80/20/48/369802048.db2.gz NBPIZHUDXUPZRU-UHFFFAOYSA-N 1 0 217.316 2.479 20 30 BEEDRO N#Cc1cccc(C[NH2+]C(C2CC2)C2CC2)n1 ZINC000602526702 369805682 /nfs/dbraw/zinc/80/56/82/369805682.db2.gz FTHLIKZURGCUGN-UHFFFAOYSA-N 1 0 227.311 2.231 20 30 BEEDRO CC(C)CCOCC[NH2+]Cc1cccc(C#N)n1 ZINC000602524176 369805824 /nfs/dbraw/zinc/80/58/24/369805824.db2.gz KLBWFSZVIBIUFW-UHFFFAOYSA-N 1 0 247.342 2.106 20 30 BEEDRO CC[C@H](C)[C@@H](C[NH2+]Cc1cccc(C#N)n1)OC ZINC000602675505 369839978 /nfs/dbraw/zinc/83/99/78/369839978.db2.gz UCBUSIVMYIBCFD-SMDDNHRTSA-N 1 0 247.342 2.104 20 30 BEEDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602556352 369812226 /nfs/dbraw/zinc/81/22/26/369812226.db2.gz DEMQJDCFGBJVBJ-LLVKDONJSA-N 1 0 247.342 2.246 20 30 BEEDRO CC1(C)C[C@H]([NH2+]Cc2cccc(C#N)n2)CCO1 ZINC000602575719 369816325 /nfs/dbraw/zinc/81/63/25/369816325.db2.gz IRUXCJFBCLDLOP-LLVKDONJSA-N 1 0 245.326 2.000 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)n1)[C@H]1CCCO1 ZINC000602578312 369816495 /nfs/dbraw/zinc/81/64/95/369816495.db2.gz CTODQDUXVRWNSQ-UONOGXRCSA-N 1 0 245.326 2.000 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC000620310939 369825899 /nfs/dbraw/zinc/82/58/99/369825899.db2.gz WZNSHSOTSNCZLV-BETUJISGSA-N 1 0 236.359 2.038 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)CCS1 ZINC000602633277 369831731 /nfs/dbraw/zinc/83/17/31/369831731.db2.gz GBJIYYMMQVAEON-NSHDSACASA-N 1 0 247.367 2.281 20 30 BEEDRO CSC1(C[NH2+]Cc2cccc(C#N)n2)CCC1 ZINC000602639368 369831753 /nfs/dbraw/zinc/83/17/53/369831753.db2.gz KCYTZBAWDGPRFT-UHFFFAOYSA-N 1 0 247.367 2.329 20 30 BEEDRO CC(C)=CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602633442 369832095 /nfs/dbraw/zinc/83/20/95/369832095.db2.gz MAWJFNOOYMTAPY-UHFFFAOYSA-N 1 0 215.300 2.399 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602690231 369841720 /nfs/dbraw/zinc/84/17/20/369841720.db2.gz HFNWLZQYTSALEI-BXUZGUMPSA-N 1 0 229.327 2.477 20 30 BEEDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602685685 369841465 /nfs/dbraw/zinc/84/14/65/369841465.db2.gz JYLIIHLVIPYLPX-ZIAGYGMSSA-N 1 0 245.326 2.000 20 30 BEEDRO CC1(C)[C@@H]2C[N@@H+](Cc3cccc(C#N)n3)C[C@@H]21 ZINC000602478138 369793070 /nfs/dbraw/zinc/79/30/70/369793070.db2.gz VENFUSUJSSZHKS-BETUJISGSA-N 1 0 227.311 2.041 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2cccc(C#N)n2)[C@H]1C ZINC000602482022 369794359 /nfs/dbraw/zinc/79/43/59/369794359.db2.gz DOMSUCYYVMNKRF-QWRGUYRKSA-N 1 0 215.300 2.184 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2CC3(CCC3)C2)n1 ZINC000602703702 369844739 /nfs/dbraw/zinc/84/47/39/369844739.db2.gz BMTLBBUPVVKHOU-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO C[C@H](C[NH2+]Cc1cccc(C#N)n1)CC(F)F ZINC000602701417 369844860 /nfs/dbraw/zinc/84/48/60/369844860.db2.gz RMQUSUQXVPCJEA-VIFPVBQESA-N 1 0 239.269 2.334 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC000602932090 369866586 /nfs/dbraw/zinc/86/65/86/369866586.db2.gz WUVXPMVKLRGPHW-IUODEOHRSA-N 1 0 244.338 2.212 20 30 BEEDRO C[C@H]1CCCN(Cc2ccc(C#N)cc2)[C@H]1C[NH3+] ZINC000252213195 370002418 /nfs/dbraw/zinc/00/24/18/370002418.db2.gz WXOJJJZGDYXRQW-WFASDCNBSA-N 1 0 243.354 2.117 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H](CC)[NH+](C)C ZINC000620858674 370012646 /nfs/dbraw/zinc/01/26/46/370012646.db2.gz OEBDTYOVJFBANT-NSHDSACASA-N 1 0 226.364 2.188 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621156552 370129130 /nfs/dbraw/zinc/12/91/30/370129130.db2.gz CBNPVCQOISMMRY-GXTWGEPZSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1Cc1ccccc1C#N ZINC000063194524 370139488 /nfs/dbraw/zinc/13/94/88/370139488.db2.gz FNUWSXRYTZMVOP-DOMZBBRYSA-N 1 0 243.354 2.260 20 30 BEEDRO CC[NH+](CC)CCSc1cccnc1C#N ZINC000130909750 370154461 /nfs/dbraw/zinc/15/44/61/370154461.db2.gz TUFGUIBFPONNFK-UHFFFAOYSA-N 1 0 235.356 2.387 20 30 BEEDRO C=CCCCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000568222729 326328853 /nfs/dbraw/zinc/32/88/53/326328853.db2.gz BFQPNGBEALVBGH-CYBMUJFWSA-N 1 0 238.375 2.191 20 30 BEEDRO C=C(C)C[NH2+]Cc1cncc(OCC)c1 ZINC000621351870 370287904 /nfs/dbraw/zinc/28/79/04/370287904.db2.gz DPXWCKQRSUSGRM-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1nccnc1C ZINC000621709264 370454987 /nfs/dbraw/zinc/45/49/87/370454987.db2.gz PUBBXTRPPSMKEJ-UHFFFAOYSA-N 1 0 205.305 2.183 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cncc(OCC)c1 ZINC000621724731 370476551 /nfs/dbraw/zinc/47/65/51/370476551.db2.gz SCTXJVSPIQZBBL-UHFFFAOYSA-N 1 0 220.316 2.488 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCOCC1CCCC1 ZINC000313308673 370579235 /nfs/dbraw/zinc/57/92/35/370579235.db2.gz ULWBUYJCMZRIPS-ZDUSSCGKSA-N 1 0 224.348 2.475 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000070074510 371008193 /nfs/dbraw/zinc/00/81/93/371008193.db2.gz ZSLQPXDAJVLCFY-JSGCOSHPSA-N 1 0 243.354 2.117 20 30 BEEDRO C[C@H](CC#N)[NH2+]CCc1ccccc1F ZINC000037871200 371044609 /nfs/dbraw/zinc/04/46/09/371044609.db2.gz BDIBJALEPULKLT-SNVBAGLBSA-N 1 0 206.264 2.260 20 30 BEEDRO CC1(C)C[N@H+](Cc2ccc(C#N)cc2)CC[C@H]1O ZINC000275398011 371099886 /nfs/dbraw/zinc/09/98/86/371099886.db2.gz DIQLMRCFZGLQDU-CQSZACIVSA-N 1 0 244.338 2.151 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCN2C)C1 ZINC000623786730 371091814 /nfs/dbraw/zinc/09/18/14/371091814.db2.gz GLZYHAFVFDHVOC-IHRRRGAJSA-N 1 0 222.376 2.415 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000568975279 326384262 /nfs/dbraw/zinc/38/42/62/326384262.db2.gz DBIBEPDECLXKQE-MNOVXSKESA-N 1 0 241.285 2.455 20 30 BEEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC1(CC#N)CC1 ZINC000123903774 371124298 /nfs/dbraw/zinc/12/42/98/371124298.db2.gz FWLSDNKZUOQHFM-CHWSQXEVSA-N 1 0 236.359 2.306 20 30 BEEDRO C=CCC1(C[NH2+][C@H](C)[C@@H](C)O)CCCC1 ZINC000569096346 326389513 /nfs/dbraw/zinc/38/95/13/326389513.db2.gz ZPVUPFHJSRKCKV-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000390133992 371188227 /nfs/dbraw/zinc/18/82/27/371188227.db2.gz LDUYDIFYZMUULV-GHMZBOCLSA-N 1 0 220.320 2.011 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000390756015 371232228 /nfs/dbraw/zinc/23/22/28/371232228.db2.gz HOMMHBCECPRTBS-VXGBXAGGSA-N 1 0 215.300 2.254 20 30 BEEDRO C[N@H+](CCOCC1CC1)CC1(CC#N)CC1 ZINC000094989210 371242262 /nfs/dbraw/zinc/24/22/62/371242262.db2.gz STWDKXXTWYJSNT-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000125392332 371338912 /nfs/dbraw/zinc/33/89/12/371338912.db2.gz AJWLQGINEYVWQK-UHFFFAOYSA-N 1 0 219.284 2.139 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1COCCN1C ZINC000624177039 371367547 /nfs/dbraw/zinc/36/75/47/371367547.db2.gz WMXNFSFWULNAIN-KBPBESRZSA-N 1 0 240.391 2.042 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)C1CC1 ZINC000624217815 371406005 /nfs/dbraw/zinc/40/60/05/371406005.db2.gz JMPPLRVAUNDHGI-KGYLQXTDSA-N 1 0 209.333 2.092 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624258928 371444835 /nfs/dbraw/zinc/44/48/35/371444835.db2.gz YHCGPGXJBARAHC-QWRGUYRKSA-N 1 0 220.316 2.478 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ccc[nH]c1=O ZINC000624259212 371446789 /nfs/dbraw/zinc/44/67/89/371446789.db2.gz GCDQGHVMHGHIOX-SNVBAGLBSA-N 1 0 206.289 2.232 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)C(C)C ZINC000125997270 371470882 /nfs/dbraw/zinc/47/08/82/371470882.db2.gz XDOKQPJOKQBHAP-OLZOCXBDSA-N 1 0 238.375 2.210 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)N1CC[C@@](F)(CO)C1 ZINC000334211081 371508741 /nfs/dbraw/zinc/50/87/41/371508741.db2.gz GNYLQQQFWYSQJA-FZMZJTMJSA-N 1 0 248.301 2.026 20 30 BEEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1cccc(C#N)c1 ZINC000335132684 371527940 /nfs/dbraw/zinc/52/79/40/371527940.db2.gz TWOBLXLQWAYKRR-CHWSQXEVSA-N 1 0 243.354 2.083 20 30 BEEDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(C#N)cc1F ZINC000335177620 371530303 /nfs/dbraw/zinc/53/03/03/371530303.db2.gz JZLIGXNIQDLDOI-CMPLNLGQSA-N 1 0 247.317 2.100 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000215601722 371596028 /nfs/dbraw/zinc/59/60/28/371596028.db2.gz BIXKUYKJRNWUTG-VIFPVBQESA-N 1 0 203.713 2.286 20 30 BEEDRO C[C@@H]1C[C@H](C[NH3+])CN1c1ccc(Cl)cc1C#N ZINC000216183475 371711878 /nfs/dbraw/zinc/71/18/78/371711878.db2.gz BTBOIOPHSZDYNQ-NXEZZACHSA-N 1 0 249.745 2.385 20 30 BEEDRO CC[C@@]1(O)CCC[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000602738256 371836190 /nfs/dbraw/zinc/83/61/90/371836190.db2.gz CIFIROQTVGLDRN-OAHLLOKOSA-N 1 0 244.338 2.295 20 30 BEEDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccccc1C#N ZINC000133537879 372071183 /nfs/dbraw/zinc/07/11/83/372071183.db2.gz AEQBKQLQNULYQD-HNNXBMFYSA-N 1 0 245.370 2.363 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000229692923 372182381 /nfs/dbraw/zinc/18/23/81/372182381.db2.gz OUCVPEIALBAVLH-GFCCVEGCSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@](CO)([NH2+]CC1(CC#N)CC1)c1ccccc1 ZINC000134331836 372197319 /nfs/dbraw/zinc/19/73/19/372197319.db2.gz UTCKPCMFSKCNPX-CQSZACIVSA-N 1 0 244.338 2.178 20 30 BEEDRO C=C1CC(C)(C(=O)NC[C@@H](C)[NH+](CC)CC)C1 ZINC000631280259 372275686 /nfs/dbraw/zinc/27/56/86/372275686.db2.gz KFWYJVDWAFHKIM-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCCC1 ZINC000189543705 259555398 /nfs/dbraw/zinc/55/53/98/259555398.db2.gz SRWCNNDVQNSUKN-NSHDSACASA-N 1 0 249.276 2.178 20 30 BEEDRO C=CCC[NH+]1CCC(C(=O)NCCCC)CC1 ZINC000172621271 373028361 /nfs/dbraw/zinc/02/83/61/373028361.db2.gz DEKCJLJBDSGNGP-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189942604 259561357 /nfs/dbraw/zinc/56/13/57/259561357.db2.gz UXVPJDOSARMOKR-OLZOCXBDSA-N 1 0 238.375 2.457 20 30 BEEDRO C=C1CC(C)(C(=O)NCC23CCC[NH+]2CCC3)C1 ZINC000632799864 373149816 /nfs/dbraw/zinc/14/98/16/373149816.db2.gz FRJOCXBDBUYPPR-UHFFFAOYSA-N 1 0 248.370 2.087 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CO ZINC000168257084 205502399 /nfs/dbraw/zinc/50/23/99/205502399.db2.gz HMOKLXYMUCSNIL-YVECIDJPSA-N 1 0 211.349 2.338 20 30 BEEDRO CCCCOCC[NH2+]Cc1cccc(C#N)c1 ZINC000040506107 373355056 /nfs/dbraw/zinc/35/50/56/373355056.db2.gz PTFPSSUUIFWHES-UHFFFAOYSA-N 1 0 232.327 2.465 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc(C#N)c1 ZINC000040673127 373592468 /nfs/dbraw/zinc/59/24/68/373592468.db2.gz CVSIARMOESSYAQ-WFASDCNBSA-N 1 0 243.354 2.303 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC1(CO)CCC1 ZINC000184518283 205705220 /nfs/dbraw/zinc/70/52/20/205705220.db2.gz KGVPWCFUQINYJH-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C[C@@H]1C[N@H+](CC(C)(C)CCC#N)CC[C@@H]1O ZINC000190064610 205696620 /nfs/dbraw/zinc/69/66/20/205696620.db2.gz QCHOQEGFYJCTCY-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)C1CCCCC1 ZINC000186717032 205724392 /nfs/dbraw/zinc/72/43/92/205724392.db2.gz UHPSVYFSLVGFMQ-DGCLKSJQSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H](C)C(=O)N(C)CC ZINC000189405662 205865766 /nfs/dbraw/zinc/86/57/66/205865766.db2.gz WMPNLRFETJASSQ-NWDGAFQWSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCCC1(C)C ZINC000191307970 205934127 /nfs/dbraw/zinc/93/41/27/205934127.db2.gz BCZSMSVAYQHBAK-NEPJUHHUSA-N 1 0 211.349 2.482 20 30 BEEDRO CSCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192880200 205968042 /nfs/dbraw/zinc/96/80/42/205968042.db2.gz RLRDWUYMSZITDL-QWRGUYRKSA-N 1 0 212.362 2.411 20 30 BEEDRO C=CCOCC[NH2+]C[C@@]1(C)CCCS1 ZINC000382275935 374226948 /nfs/dbraw/zinc/22/69/48/374226948.db2.gz HWSGGWUEYIVEMH-LLVKDONJSA-N 1 0 215.362 2.064 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000179522136 206010921 /nfs/dbraw/zinc/01/09/21/206010921.db2.gz RFMWGNFHQWWOCR-AWEZNQCLSA-N 1 0 247.338 2.208 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccccc1C ZINC000184272004 206011141 /nfs/dbraw/zinc/01/11/41/206011141.db2.gz KKQCRQNVWHCGCM-ZDUSSCGKSA-N 1 0 205.301 2.022 20 30 BEEDRO C[C@H](O)C[C@H](C)C[NH2+]Cc1cc(C#N)cs1 ZINC000165165338 206139959 /nfs/dbraw/zinc/13/99/59/206139959.db2.gz MUPHALSJLSCWCC-UWVGGRQHSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000167403741 206145422 /nfs/dbraw/zinc/14/54/22/206145422.db2.gz TXMIZKLDGWJEEA-GFCCVEGCSA-N 1 0 222.376 2.415 20 30 BEEDRO CCCC[C@H](COC)[NH2+]Cc1ccc(C#N)o1 ZINC000174410583 169004587 /nfs/dbraw/zinc/00/45/87/169004587.db2.gz CQEVJJJCCMIFBK-LLVKDONJSA-N 1 0 236.315 2.446 20 30 BEEDRO OC[C@@H]1CCCC[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000156125791 183116483 /nfs/dbraw/zinc/11/64/83/183116483.db2.gz RYDWVZRLZPSQRQ-HNNXBMFYSA-N 1 0 247.313 2.024 20 30 BEEDRO OC[C@H]1CC[N@H+](CC#Cc2ccc(Cl)cc2)C1 ZINC000267534090 183151852 /nfs/dbraw/zinc/15/18/52/183151852.db2.gz RONOQGQWQPOOLI-ZDUSSCGKSA-N 1 0 249.741 2.006 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccnc1C#N ZINC000290788495 169124607 /nfs/dbraw/zinc/12/46/07/169124607.db2.gz NUKGDGTUPWQOMP-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCC[N@H+](CC)C[C@@H](C)Nc1ncccc1C#N ZINC000290925352 169125939 /nfs/dbraw/zinc/12/59/39/169125939.db2.gz YAPQENXQDWYTEN-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO CCCN(c1cccc(F)c1C#N)[C@H]1CC[NH2+]C1 ZINC000071332853 169182695 /nfs/dbraw/zinc/18/26/95/169182695.db2.gz LLUZPKAPRHFDHG-NSHDSACASA-N 1 0 247.317 2.276 20 30 BEEDRO CCCNC(=[NH2+])NCCc1cccc2[nH]ccc21 ZINC000283740237 169183552 /nfs/dbraw/zinc/18/35/52/169183552.db2.gz DJFCHWUIKFFMGT-UHFFFAOYSA-N 1 0 244.342 2.025 20 30 BEEDRO CCC[NH+]1CCN(Cc2ccccc2C#N)CC1 ZINC000019502953 169203717 /nfs/dbraw/zinc/20/37/17/169203717.db2.gz IWHKQNJHNIBSPJ-UHFFFAOYSA-N 1 0 243.354 2.086 20 30 BEEDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C#N)ccn2)C1 ZINC000283453577 169206634 /nfs/dbraw/zinc/20/66/34/169206634.db2.gz DVJNRIIVCGSFFY-ZDUSSCGKSA-N 1 0 244.342 2.097 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)NCCCCC ZINC000181297485 134335310 /nfs/dbraw/zinc/33/53/10/134335310.db2.gz MQARMHZURROLFW-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CC(=C)C ZINC000181253456 134334457 /nfs/dbraw/zinc/33/44/57/134334457.db2.gz QELOQKMBEQEQBB-CYBMUJFWSA-N 1 0 236.359 2.083 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N[C@H](C)CCC ZINC000181260321 134334498 /nfs/dbraw/zinc/33/44/98/134334498.db2.gz OBCATYIYCMYMRF-VXGBXAGGSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCCCC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000193452099 259603091 /nfs/dbraw/zinc/60/30/91/259603091.db2.gz DFSFQADULHXQLY-UHFFFAOYSA-N 1 0 238.375 2.463 20 30 BEEDRO C=CCCCCC[N@@H+](C)CCCC(=O)NC ZINC000193447245 259603246 /nfs/dbraw/zinc/60/32/46/259603246.db2.gz YMAGYNCVOKELHS-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000181832175 134339823 /nfs/dbraw/zinc/33/98/23/134339823.db2.gz MNPXLQSQRMOBMS-XQQFMLRXSA-N 1 0 221.344 2.193 20 30 BEEDRO CCCCCCCC[C@@H](O)C[NH2+]C[C@H](C)CO ZINC000059535833 1172548805 /nfs/dbraw/zinc/54/88/05/1172548805.db2.gz HMASFUWWKAKDKC-UONOGXRCSA-N 1 0 245.407 2.316 20 30 BEEDRO C=CC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000183350772 134350997 /nfs/dbraw/zinc/35/09/97/134350997.db2.gz WWTVHALTSBWEMS-ZDUSSCGKSA-N 1 0 221.275 2.465 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000183602680 134354855 /nfs/dbraw/zinc/35/48/55/134354855.db2.gz JTIDHKFURZMGJE-AVGNSLFASA-N 1 0 238.375 2.282 20 30 BEEDRO N#Cc1ccnc(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC001644965479 1172621930 /nfs/dbraw/zinc/62/19/30/1172621930.db2.gz PTKFPSDRTTZEBP-ZDUSSCGKSA-N 1 0 227.311 2.185 20 30 BEEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000334436179 383879627 /nfs/dbraw/zinc/87/96/27/383879627.db2.gz ZVXQLCQEJCQZBG-ZFWWWQNUSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CCC[NH+]1CCC(c2ccncn2)CC1 ZINC000298355561 383853143 /nfs/dbraw/zinc/85/31/43/383853143.db2.gz MSNFHCJIYWRIPG-UHFFFAOYSA-N 1 0 217.316 2.232 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccnn1CC(C)C ZINC000647209418 383860917 /nfs/dbraw/zinc/86/09/17/383860917.db2.gz HZQGEIYDEAUYSP-UHFFFAOYSA-N 1 0 207.321 2.205 20 30 BEEDRO C[C@@H](CNc1cccc(C#N)n1)C[NH+]1CCCC1 ZINC000081596114 383865917 /nfs/dbraw/zinc/86/59/17/383865917.db2.gz MDIHJKYHEYXCKK-LBPRGKRZSA-N 1 0 244.342 2.097 20 30 BEEDRO COc1ccc(CN(C)[C@H](C)CC#N)cc1C#N ZINC000087829082 383871684 /nfs/dbraw/zinc/87/16/84/383871684.db2.gz FEWMPHYSWKPUCF-LLVKDONJSA-N 1 0 243.310 2.301 20 30 BEEDRO Cc1cc(C[N@@H+](C)[C@H]2CCCOC2)ccc1C#N ZINC000334439697 383877710 /nfs/dbraw/zinc/87/77/10/383877710.db2.gz LCWZNNLWKMPDRK-HNNXBMFYSA-N 1 0 244.338 2.478 20 30 BEEDRO C[N@H+](Cc1ccc(F)c(C#N)c1)[C@@H]1CCCOC1 ZINC000334439289 383882762 /nfs/dbraw/zinc/88/27/62/383882762.db2.gz UUGUFAPDQMCLST-CYBMUJFWSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000186697653 383898293 /nfs/dbraw/zinc/89/82/93/383898293.db2.gz WWRKMZNSVIHDOS-QWHCGFSZSA-N 1 0 248.370 2.340 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1ccccc1C ZINC000186697498 383900334 /nfs/dbraw/zinc/90/03/34/383900334.db2.gz KSKUHVZUOUVVKO-UKRRQHHQSA-N 1 0 233.355 2.453 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000395357537 383905635 /nfs/dbraw/zinc/90/56/35/383905635.db2.gz KXRVLWYSVRIINX-TZMCWYRMSA-N 1 0 231.343 2.421 20 30 BEEDRO C=CC[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000298720544 383985696 /nfs/dbraw/zinc/98/56/96/383985696.db2.gz OFGOTLWGOMALGE-AWEZNQCLSA-N 1 0 249.354 2.323 20 30 BEEDRO C=CC[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000298744549 383987251 /nfs/dbraw/zinc/98/72/51/383987251.db2.gz RQZPGIPWFSEMKG-UHFFFAOYSA-N 1 0 216.328 2.385 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000339495085 383988613 /nfs/dbraw/zinc/98/86/13/383988613.db2.gz WLNCGVJKFDBOSQ-JTQLQIEISA-N 1 0 246.289 2.044 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1F ZINC000334983177 383990153 /nfs/dbraw/zinc/99/01/53/383990153.db2.gz YHEFYQKOLRDUGP-KBPBESRZSA-N 1 0 248.301 2.090 20 30 BEEDRO C=CCCCC[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000560239311 383999392 /nfs/dbraw/zinc/99/93/92/383999392.db2.gz KLKUVFWMBBODHN-QWHCGFSZSA-N 1 0 210.365 2.367 20 30 BEEDRO C[C@H]1C[C@H]([NH2+]Cc2ccc(C#N)c(F)c2)CCO1 ZINC000334740275 383943297 /nfs/dbraw/zinc/94/32/97/383943297.db2.gz VGWWHRFDUWKIKB-GXFFZTMASA-N 1 0 248.301 2.354 20 30 BEEDRO COc1cc(C#N)ccc1C[N@@H+](C)C[C@@H](C)OC ZINC000285544333 383943996 /nfs/dbraw/zinc/94/39/96/383943996.db2.gz GBKPQWZEHAOYIR-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO C#CC[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000116883346 383949933 /nfs/dbraw/zinc/94/99/33/383949933.db2.gz LPZORWMYMXEFPV-UHFFFAOYSA-N 1 0 229.323 2.471 20 30 BEEDRO Cc1ncc(C[NH2+]CCCCC#N)s1 ZINC000049578503 383960711 /nfs/dbraw/zinc/96/07/11/383960711.db2.gz PGMNWSUKUGTLHM-UHFFFAOYSA-N 1 0 209.318 2.235 20 30 BEEDRO Cc1csc(C[NH2+]CCCCC#N)n1 ZINC000049578472 383961290 /nfs/dbraw/zinc/96/12/90/383961290.db2.gz KTHWFFHEAOQLAD-UHFFFAOYSA-N 1 0 209.318 2.235 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CS1 ZINC000334851989 383968968 /nfs/dbraw/zinc/96/89/68/383968968.db2.gz DPARKEPAUYHKAX-RKDXNWHRSA-N 1 0 222.313 2.135 20 30 BEEDRO Cc1cc(C[NH+]2CCC(C)(O)CC2)ccc1C#N ZINC000334919607 383976085 /nfs/dbraw/zinc/97/60/85/383976085.db2.gz HTAUKHBYEVTKRL-UHFFFAOYSA-N 1 0 244.338 2.214 20 30 BEEDRO C=C(Cl)CN[C@H](C)c1nnc2ccccn21 ZINC000298851811 384025444 /nfs/dbraw/zinc/02/54/44/384025444.db2.gz IQFCUQXEZNZFFE-SECBINFHSA-N 1 0 236.706 2.132 20 30 BEEDRO Cc1cc(C[N@H+]2CCOC[C@@H](C)C2)ccc1C#N ZINC000335001999 384008185 /nfs/dbraw/zinc/00/81/85/384008185.db2.gz JEJRQEDDBMGXKH-LBPRGKRZSA-N 1 0 244.338 2.335 20 30 BEEDRO CCCC[N@H+](CCO)Cc1ccc(C#N)s1 ZINC000128015946 384085249 /nfs/dbraw/zinc/08/52/49/384085249.db2.gz OASHWOYGEDTXJZ-UHFFFAOYSA-N 1 0 238.356 2.214 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1sc(C)nc1C ZINC000229882913 259643761 /nfs/dbraw/zinc/64/37/61/259643761.db2.gz VBNUDDFRKKEIHX-SNVBAGLBSA-N 1 0 208.330 2.261 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000229969732 259645235 /nfs/dbraw/zinc/64/52/35/259645235.db2.gz KDXJSUSUUSMBAC-NWDGAFQWSA-N 1 0 207.317 2.090 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2ccco2)C1 ZINC000185755643 134393909 /nfs/dbraw/zinc/39/39/09/134393909.db2.gz WBZYSRYAUPXUNT-GHMZBOCLSA-N 1 0 204.273 2.452 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000449518135 384158014 /nfs/dbraw/zinc/15/80/14/384158014.db2.gz ILNFLWDHPFXIRI-NEPJUHHUSA-N 1 0 239.265 2.398 20 30 BEEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)CCCO1 ZINC000304179311 384152595 /nfs/dbraw/zinc/15/25/95/384152595.db2.gz VRIMSQQOCQAIGE-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CCCC)COC ZINC000449519371 384173870 /nfs/dbraw/zinc/17/38/70/384173870.db2.gz MBWDJDDCUGXJER-XQQFMLRXSA-N 1 0 227.348 2.125 20 30 BEEDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)ccc1C#N ZINC000234999358 384168758 /nfs/dbraw/zinc/16/87/58/384168758.db2.gz BECVUALWSMTGOP-NSHDSACASA-N 1 0 230.311 2.409 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)COC)c1ccc(F)cc1 ZINC000309620688 384170204 /nfs/dbraw/zinc/17/02/04/384170204.db2.gz FBLZLKGYDUQJKY-ZWNOBZJWSA-N 1 0 221.275 2.125 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1CCCCC1 ZINC000449520809 384178761 /nfs/dbraw/zinc/17/87/61/384178761.db2.gz QJQBKGIRJASYMA-OLZOCXBDSA-N 1 0 209.333 2.500 20 30 BEEDRO C[C@@H]([NH2+][C@H]1CCC[C@H](C#N)C1)C1CCOCC1 ZINC000185858252 134397649 /nfs/dbraw/zinc/39/76/49/134397649.db2.gz BSYGIDSZQKVPKG-DYEKYZERSA-N 1 0 236.359 2.473 20 30 BEEDRO C#CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1C ZINC000299209937 533043561 /nfs/dbraw/zinc/04/35/61/533043561.db2.gz CFTMBTFTQRTGKC-UHFFFAOYSA-N 1 0 247.338 2.467 20 30 BEEDRO C#CCC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293192848 533045624 /nfs/dbraw/zinc/04/56/24/533045624.db2.gz FIJVWACEUCHVAO-UHFFFAOYSA-N 1 0 243.350 2.036 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(F)c1C#N ZINC000336261513 384188800 /nfs/dbraw/zinc/18/88/00/384188800.db2.gz HFZAWATVRGJDRZ-ZDUSSCGKSA-N 1 0 248.301 2.354 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000253095679 533048579 /nfs/dbraw/zinc/04/85/79/533048579.db2.gz PLJZPRLGLHRNKW-RRFJBIMHSA-N 1 0 235.371 2.415 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](OCCC)CC1 ZINC000368582829 533049528 /nfs/dbraw/zinc/04/95/28/533049528.db2.gz XFIJIXLKKXBBTK-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2(C(F)F)CC2)n1 ZINC000336664840 384243760 /nfs/dbraw/zinc/24/37/60/384243760.db2.gz DJAKLBLFGKYUFU-UHFFFAOYSA-N 1 0 243.282 2.150 20 30 BEEDRO CCCCC[NH2+]Cc1nc(C#N)cs1 ZINC000336655481 384245857 /nfs/dbraw/zinc/24/58/57/384245857.db2.gz NXCGTLPXJXGZIM-UHFFFAOYSA-N 1 0 209.318 2.295 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H]1c1cccn1C ZINC000299218974 533050627 /nfs/dbraw/zinc/05/06/27/533050627.db2.gz JEDOSSYLVYFJFV-CYBMUJFWSA-N 1 0 202.301 2.185 20 30 BEEDRO C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccc(C#N)cc1 ZINC000336794984 384277615 /nfs/dbraw/zinc/27/76/15/384277615.db2.gz HAAONDVLCWRFQG-XHDPSFHLSA-N 1 0 244.338 2.370 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2ccc(C#N)s2)CCOC1 ZINC000336780029 384277661 /nfs/dbraw/zinc/27/76/61/384277661.db2.gz QDLPVQYLSXLHSF-LBPRGKRZSA-N 1 0 236.340 2.136 20 30 BEEDRO C[C@H]([NH2+]CCc1cccc(C#N)c1)C1CC1 ZINC000336736327 384261430 /nfs/dbraw/zinc/26/14/30/384261430.db2.gz IRVKQZKDUXQVMM-NSHDSACASA-N 1 0 214.312 2.489 20 30 BEEDRO CSCCCC[NH2+]Cc1nc(C#N)cs1 ZINC000336742284 384261501 /nfs/dbraw/zinc/26/15/01/384261501.db2.gz WRQOYYCVXZYLEL-UHFFFAOYSA-N 1 0 241.385 2.248 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(C#N)cc2)[C@@H](C)O1 ZINC000414517215 384263624 /nfs/dbraw/zinc/26/36/24/384263624.db2.gz QDVPMYJJFXGAPP-LALPHHSUSA-N 1 0 244.338 2.461 20 30 BEEDRO CC1(C)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000174254792 384311304 /nfs/dbraw/zinc/31/13/04/384311304.db2.gz VTJZAQDDZRHKST-NSHDSACASA-N 1 0 205.305 2.162 20 30 BEEDRO C=CC[N@@H+](CCCNC(C)=O)Cc1ccccc1 ZINC000142765004 384311783 /nfs/dbraw/zinc/31/17/83/384311783.db2.gz BSQZWPNIOAKKTD-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC(C)(C)CCC#N ZINC000449422671 384317840 /nfs/dbraw/zinc/31/78/40/384317840.db2.gz NCAVSXLLTMSASZ-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CN(CC#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000074321943 384281005 /nfs/dbraw/zinc/28/10/05/384281005.db2.gz CAMMMJUXAKSBNJ-UHFFFAOYSA-N 1 0 243.354 2.106 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1 ZINC000335425522 384285353 /nfs/dbraw/zinc/28/53/53/384285353.db2.gz YSGXXKYFIBXRMV-CABCVRRESA-N 1 0 242.322 2.169 20 30 BEEDRO C[N@H+](Cc1cc(F)ccc1C#N)[C@@H]1CCC[C@H]1O ZINC000286376759 384285860 /nfs/dbraw/zinc/28/58/60/384285860.db2.gz GLJPNFPVQOWSES-ZIAGYGMSSA-N 1 0 248.301 2.043 20 30 BEEDRO C#CC[N@H+](CCCn1ccnc1)C1CCCC1 ZINC000182848590 384293328 /nfs/dbraw/zinc/29/33/28/384293328.db2.gz GJDKSVMDSKECIC-UHFFFAOYSA-N 1 0 231.343 2.151 20 30 BEEDRO C#CCC[N@@H+]1CCOC2(CCCCC2)C1 ZINC000368680522 533054877 /nfs/dbraw/zinc/05/48/77/533054877.db2.gz NIXFONNQMJKASF-UHFFFAOYSA-N 1 0 207.317 2.045 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)C[NH+](CC)CC ZINC000179798453 384359845 /nfs/dbraw/zinc/35/98/45/384359845.db2.gz IVBVNIUQHGFYKL-LBPRGKRZSA-N 1 0 226.364 2.189 20 30 BEEDRO CC#CCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000134541317 384365315 /nfs/dbraw/zinc/36/53/15/384365315.db2.gz YJFMZRNOUYTXEB-UHFFFAOYSA-N 1 0 241.338 2.315 20 30 BEEDRO CO[C@@H]1CCC[N@H+](Cc2ccccc2C#N)C1 ZINC000076346613 384367897 /nfs/dbraw/zinc/36/78/97/384367897.db2.gz DVYOFXIUGHJITM-CQSZACIVSA-N 1 0 230.311 2.169 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000313495661 384426320 /nfs/dbraw/zinc/42/63/20/384426320.db2.gz XSEXLPFQDUCATM-NWDGAFQWSA-N 1 0 208.349 2.167 20 30 BEEDRO C=CCOc1cccc(C[N@@H+](CCO)C2CC2)c1 ZINC000153602445 384400319 /nfs/dbraw/zinc/40/03/19/384400319.db2.gz ZPZIAMQXFIQUSL-UHFFFAOYSA-N 1 0 247.338 2.208 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000490803151 384403840 /nfs/dbraw/zinc/40/38/40/384403840.db2.gz KBTPSMZCBAARPP-GFCCVEGCSA-N 1 0 237.343 2.063 20 30 BEEDRO Cn1ccc(C[NH2+]Cc2ccc(C#N)s2)c1 ZINC000165235819 384409409 /nfs/dbraw/zinc/40/94/09/384409409.db2.gz BORACCZBFNSEFW-UHFFFAOYSA-N 1 0 231.324 2.248 20 30 BEEDRO C=CCCCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000564410187 384410496 /nfs/dbraw/zinc/41/04/96/384410496.db2.gz QLQWBYRPRLZLRB-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(CC)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000313477046 384414228 /nfs/dbraw/zinc/41/42/28/384414228.db2.gz BHUJMGYNTVWLHN-NEPJUHHUSA-N 1 0 209.333 2.500 20 30 BEEDRO CC1(C#N)CC[NH+](CCCCC#N)CC1 ZINC000227352714 384415009 /nfs/dbraw/zinc/41/50/09/384415009.db2.gz HJKOZHSXOPQTSS-UHFFFAOYSA-N 1 0 205.305 2.306 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000102331942 384417792 /nfs/dbraw/zinc/41/77/92/384417792.db2.gz BRWKTONEZQEHCM-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cccc(OC)n1 ZINC000313490374 384420657 /nfs/dbraw/zinc/42/06/57/384420657.db2.gz VLAHBMDLYKFHDQ-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C#CC[N@@H+](CCOC)[C@H]1CCc2ccccc21 ZINC000490741521 384376227 /nfs/dbraw/zinc/37/62/27/384376227.db2.gz SGMABMDMQHBIJA-HNNXBMFYSA-N 1 0 229.323 2.256 20 30 BEEDRO CC#CCC[N@H+](C)Cc1cccc(C#N)c1 ZINC000135530451 384451397 /nfs/dbraw/zinc/45/13/97/384451397.db2.gz MPRDADJOQDAKRZ-UHFFFAOYSA-N 1 0 212.296 2.403 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cc(C(=O)OC)c(C)o1 ZINC000313508698 384434614 /nfs/dbraw/zinc/43/46/14/384434614.db2.gz XSRPIHUMQISHFL-UHFFFAOYSA-N 1 0 237.299 2.430 20 30 BEEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C#N)cn2)C1 ZINC000582822055 384474094 /nfs/dbraw/zinc/47/40/94/384474094.db2.gz DMGMMICLCFMLOO-RYUDHWBXSA-N 1 0 229.327 2.431 20 30 BEEDRO C=CCCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000102488718 384481845 /nfs/dbraw/zinc/48/18/45/384481845.db2.gz NBNZCTFRMVWLCG-ZDUSSCGKSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000150834103 384504760 /nfs/dbraw/zinc/50/47/60/384504760.db2.gz RFBJRWBRWHLHLV-LLVKDONJSA-N 1 0 247.342 2.444 20 30 BEEDRO C#CCC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000371716814 533069213 /nfs/dbraw/zinc/06/92/13/533069213.db2.gz PPBORWLNEMPJIW-OAHLLOKOSA-N 1 0 239.322 2.122 20 30 BEEDRO C#CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000370728891 533069259 /nfs/dbraw/zinc/06/92/59/533069259.db2.gz FFNRFJUIHQFSDH-GJZGRUSLSA-N 1 0 246.329 2.184 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]CCCOC)cc1 ZINC000113312184 533071276 /nfs/dbraw/zinc/07/12/76/533071276.db2.gz CPLYSCOZTIJUSW-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)NCC=C ZINC000150886625 384516527 /nfs/dbraw/zinc/51/65/27/384516527.db2.gz WNZVIMITWVYNCF-ZDUSSCGKSA-N 1 0 238.375 2.355 20 30 BEEDRO C#CCCOc1ccc(C[NH2+]CCF)cc1 ZINC000280652823 533071824 /nfs/dbraw/zinc/07/18/24/533071824.db2.gz KDPWQIXBOURUEP-UHFFFAOYSA-N 1 0 221.275 2.148 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@@H]1COC[C@H]1OC ZINC000647335220 384518915 /nfs/dbraw/zinc/51/89/15/384518915.db2.gz JVXYPBHVVIGFNY-YNEHKIRRSA-N 1 0 227.348 2.125 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000559107991 384557642 /nfs/dbraw/zinc/55/76/42/384557642.db2.gz WKSWFMKKVBTVPR-AWEZNQCLSA-N 1 0 232.327 2.421 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000309735316 384571649 /nfs/dbraw/zinc/57/16/49/384571649.db2.gz CFUAUBPHJPFEGS-LBPRGKRZSA-N 1 0 217.312 2.415 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCN1CC=CCC1 ZINC000309743620 384576542 /nfs/dbraw/zinc/57/65/42/384576542.db2.gz IMJNTBZUEVQRTC-KGLIPLIRSA-N 1 0 222.376 2.439 20 30 BEEDRO C=C(C)COCCN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000163522369 384576697 /nfs/dbraw/zinc/57/66/97/384576697.db2.gz DWVZGSOPNWOLMF-LSDHHAIUSA-N 1 0 246.354 2.314 20 30 BEEDRO C=C[C@@H](CO)[NH2+]CC[C@@H](C)c1ccccc1 ZINC000309762205 384589520 /nfs/dbraw/zinc/58/95/20/384589520.db2.gz MVFHVRFCFCEPIW-OCCSQVGLSA-N 1 0 219.328 2.317 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647342525 384602552 /nfs/dbraw/zinc/60/25/52/384602552.db2.gz RMZIIZJTRVWLOO-GXTWGEPZSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647184205 384605041 /nfs/dbraw/zinc/60/50/41/384605041.db2.gz NUTHZVIIXCNZHQ-LBPRGKRZSA-N 1 0 242.326 2.322 20 30 BEEDRO CCOC[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000176325361 384605027 /nfs/dbraw/zinc/60/50/27/384605027.db2.gz OQRGETWTRONLAO-GFCCVEGCSA-N 1 0 210.321 2.039 20 30 BEEDRO CC[C@H](COC)[NH2+]Cc1ccc(C#N)cc1 ZINC000070624158 384598276 /nfs/dbraw/zinc/59/82/76/384598276.db2.gz WEKAMZUZINMCMX-CYBMUJFWSA-N 1 0 218.300 2.073 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(N)nc1 ZINC000647539133 384665126 /nfs/dbraw/zinc/66/51/26/384665126.db2.gz YMOXNNFIZARGQN-LBPRGKRZSA-N 1 0 217.316 2.035 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000309848870 384666118 /nfs/dbraw/zinc/66/61/18/384666118.db2.gz WIPWFGNFYAECTG-NWINJMCUSA-N 1 0 223.360 2.482 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000104248894 384668046 /nfs/dbraw/zinc/66/80/46/384668046.db2.gz PVMUJWRNUBYRQI-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO CC1(C)C[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000044370545 384642132 /nfs/dbraw/zinc/64/21/32/384642132.db2.gz GONFECLVJVXCPM-GFCCVEGCSA-N 1 0 200.285 2.446 20 30 BEEDRO CC#CC[N@H+](C)CCOCc1ccccc1 ZINC000154692738 384648627 /nfs/dbraw/zinc/64/86/27/384648627.db2.gz MSGUWDFHILZVPK-UHFFFAOYSA-N 1 0 217.312 2.158 20 30 BEEDRO C=CCNC(=O)C[N@@H+]([C@H](C)[C@@H](C)CC)C1CC1 ZINC000104965997 384725918 /nfs/dbraw/zinc/72/59/18/384725918.db2.gz MCLBHWXRLLHCLA-NWDGAFQWSA-N 1 0 238.375 2.188 20 30 BEEDRO COC(=O)CCC[N@H+](CCC#N)CCC(C)C ZINC000173539286 384688708 /nfs/dbraw/zinc/68/87/08/384688708.db2.gz UVHHZRMWSZAKEE-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C[N@@H+](Cc1ccc(C#N)cc1[N+](=O)[O-])CC1CC1 ZINC000565836306 384709247 /nfs/dbraw/zinc/70/92/47/384709247.db2.gz OAQYOPJBGGRNCU-UHFFFAOYSA-N 1 0 245.282 2.308 20 30 BEEDRO Cn1cc(CCC[NH2+]CC(C)(C)CCC#N)cn1 ZINC000174337165 384776527 /nfs/dbraw/zinc/77/65/27/384776527.db2.gz NGQQYMPHPUOKBY-UHFFFAOYSA-N 1 0 248.374 2.272 20 30 BEEDRO C[NH+]=C(NCc1c(C)cc(C)cc1C)NC1CC1 ZINC000103338087 384762541 /nfs/dbraw/zinc/76/25/41/384762541.db2.gz MASIQLBKBVXPEM-UHFFFAOYSA-N 1 0 245.370 2.439 20 30 BEEDRO CCc1ccc(CNC(NC2CC2)=[NH+]C)s1 ZINC000103337912 384762915 /nfs/dbraw/zinc/76/29/15/384762915.db2.gz HZKUEMZHUMINQA-UHFFFAOYSA-N 1 0 237.372 2.138 20 30 BEEDRO C[N@H+](CC#Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000156227366 384823717 /nfs/dbraw/zinc/82/37/17/384823717.db2.gz KOOYEZBCXQZGJR-HNNXBMFYSA-N 1 0 247.313 2.288 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCCc1ccncc1 ZINC000491430471 384833055 /nfs/dbraw/zinc/83/30/55/384833055.db2.gz YBNWPWWUHPBEDW-UHFFFAOYSA-N 1 0 216.328 2.358 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+]Cc1ccnc(OC)n1 ZINC000398182726 384833920 /nfs/dbraw/zinc/83/39/20/384833920.db2.gz ORKBOUJFNSAXMD-LLVKDONJSA-N 1 0 235.331 2.320 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000174406394 384786755 /nfs/dbraw/zinc/78/67/55/384786755.db2.gz RYZYSIVLYZVXQH-JTQLQIEISA-N 1 0 236.315 2.038 20 30 BEEDRO C[C@H](Nc1ccc(F)cc1C#N)[C@H]1CCC[NH2+]C1 ZINC000111027350 384794713 /nfs/dbraw/zinc/79/47/13/384794713.db2.gz LVOYWFZNMFETME-QWRGUYRKSA-N 1 0 247.317 2.497 20 30 BEEDRO CN(CCC#N)CCc1ccc(F)c(F)c1 ZINC000152152443 384797404 /nfs/dbraw/zinc/79/74/04/384797404.db2.gz QPLARASMDMAUTJ-UHFFFAOYSA-N 1 0 224.254 2.353 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](CC)c1ccsc1 ZINC000297407708 384806763 /nfs/dbraw/zinc/80/67/63/384806763.db2.gz SZJJLNSOVLIAJL-WDEREUQCSA-N 1 0 211.330 2.336 20 30 BEEDRO CC[C@H]([NH2+]CC1(CC#N)CC1)[C@H]1CCOC1 ZINC000310041005 384810001 /nfs/dbraw/zinc/81/00/01/384810001.db2.gz YCEFHZJSJSAMPX-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO CCCC(N)=NOCc1ccc(OC)c(F)c1 ZINC000105605153 384874633 /nfs/dbraw/zinc/87/46/33/384874633.db2.gz BHWYEEOWELSHDZ-UHFFFAOYSA-N 1 0 240.278 2.423 20 30 BEEDRO CCCC(N)=NOCCOc1ccccc1 ZINC000105605196 384877269 /nfs/dbraw/zinc/87/72/69/384877269.db2.gz JKVNVJIIQVVPMZ-UHFFFAOYSA-N 1 0 222.288 2.154 20 30 BEEDRO COc1cc(C[N@H+](C)C2CC2)ccc1C#N ZINC000234916356 384888913 /nfs/dbraw/zinc/88/89/13/384888913.db2.gz CUKBBWSGOYEYTM-UHFFFAOYSA-N 1 0 216.284 2.161 20 30 BEEDRO C=C(C)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000156470666 384863214 /nfs/dbraw/zinc/86/32/14/384863214.db2.gz VVJWXLZKICLDPV-STQMWFEESA-N 1 0 219.332 2.342 20 30 BEEDRO CC#CC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156746385 384949865 /nfs/dbraw/zinc/94/98/65/384949865.db2.gz KIESBHMGQRSTAV-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO Cc1ccc(NCCC#N)c(OCC[NH+](C)C)c1 ZINC000580315477 384951110 /nfs/dbraw/zinc/95/11/10/384951110.db2.gz BAKNIEOSUMBBSG-UHFFFAOYSA-N 1 0 247.342 2.261 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)C1(C)C ZINC000227829163 384955230 /nfs/dbraw/zinc/95/52/30/384955230.db2.gz HQTYCDIOIDZRIE-KGLIPLIRSA-N 1 0 244.338 2.461 20 30 BEEDRO C=CCCCC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000175325028 384892655 /nfs/dbraw/zinc/89/26/55/384892655.db2.gz IVYGRUFXGCFXPC-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CC[NH+](CC=C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000297751583 384909613 /nfs/dbraw/zinc/90/96/13/384909613.db2.gz DUJNMHYXDRBDLN-CABCVRRESA-N 1 0 229.323 2.319 20 30 BEEDRO Cc1cc(F)ccc1CC[NH2+]CCC#N ZINC000087368084 384924921 /nfs/dbraw/zinc/92/49/21/384924921.db2.gz DQHTWVAXPPDHHL-UHFFFAOYSA-N 1 0 206.264 2.180 20 30 BEEDRO C#C[C@@H]1COCCN1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000491465251 384939520 /nfs/dbraw/zinc/93/95/20/384939520.db2.gz VPIRHVQXKWADAH-ARFHVFGLSA-N 1 0 241.334 2.124 20 30 BEEDRO N#Cc1cccc(C[NH2+]Cc2cc[nH]c2)c1 ZINC000085579348 384939532 /nfs/dbraw/zinc/93/95/32/384939532.db2.gz VGJNPXXVTSNDGN-UHFFFAOYSA-N 1 0 211.268 2.176 20 30 BEEDRO CCc1nocc1C[NH2+]CCCCC#N ZINC000339236108 384976627 /nfs/dbraw/zinc/97/66/27/384976627.db2.gz QRBWMDSQUGRBLC-UHFFFAOYSA-N 1 0 207.277 2.020 20 30 BEEDRO C=CC[N@H+](CCC(=O)OC)CCc1ccccc1 ZINC000062364300 385014396 /nfs/dbraw/zinc/01/43/96/385014396.db2.gz GRJIRAHKCWIXBV-UHFFFAOYSA-N 1 0 247.338 2.280 20 30 BEEDRO CC(C)C(N)=[NH+]OCc1cccc(C#N)c1 ZINC000128590604 385051790 /nfs/dbraw/zinc/05/17/90/385051790.db2.gz JSVSFYIKFIHKLC-UHFFFAOYSA-N 1 0 217.272 2.003 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000245743897 385056206 /nfs/dbraw/zinc/05/62/06/385056206.db2.gz GMTOMABHWKDHHU-OCCSQVGLSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CC[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000157113197 385071271 /nfs/dbraw/zinc/07/12/71/385071271.db2.gz BQWHHDMZCSGZQJ-SCRDCRAPSA-N 1 0 246.354 2.403 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCCC#N)CCCO1 ZINC000308760611 385078866 /nfs/dbraw/zinc/07/88/66/385078866.db2.gz XELPDAFGNPFGOD-GFCCVEGCSA-N 1 0 210.321 2.181 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(C)nc1C)C1CC1 ZINC000491496339 385036447 /nfs/dbraw/zinc/03/64/47/385036447.db2.gz PSHVETKQJRDTIX-UHFFFAOYSA-N 1 0 214.312 2.296 20 30 BEEDRO C=C(C)COCC[NH2+]CC1(SC)CCC1 ZINC000308798608 385114142 /nfs/dbraw/zinc/11/41/42/385114142.db2.gz LNEYZYDIKGKGNI-UHFFFAOYSA-N 1 0 229.389 2.454 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn2cccnc2n1 ZINC000298090087 385118388 /nfs/dbraw/zinc/11/83/88/385118388.db2.gz MPSLDGZDRHXYPF-NSHDSACASA-N 1 0 230.315 2.174 20 30 BEEDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000306644775 385142062 /nfs/dbraw/zinc/14/20/62/385142062.db2.gz NPNUULJGROUHCQ-AEJSXWLSSA-N 1 0 210.346 2.162 20 30 BEEDRO Cc1ccc(CC[NH2+]CCC#N)cc1C ZINC000258961294 385128208 /nfs/dbraw/zinc/12/82/08/385128208.db2.gz SUQDXHFLJKHDNL-UHFFFAOYSA-N 1 0 202.301 2.349 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)s1 ZINC000189100714 385085772 /nfs/dbraw/zinc/08/57/72/385085772.db2.gz DKXHMESGYLJKAJ-IUCAKERBSA-N 1 0 224.329 2.133 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(C)nc1 ZINC000424167547 385098199 /nfs/dbraw/zinc/09/81/99/385098199.db2.gz DXBZSHLKPJKBFQ-KBPBESRZSA-N 1 0 232.327 2.071 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000157188612 385100347 /nfs/dbraw/zinc/10/03/47/385100347.db2.gz XRHVZKGCYCWJFR-GFCCVEGCSA-N 1 0 239.322 2.465 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cc(COC)on1 ZINC000298062656 385103145 /nfs/dbraw/zinc/10/31/45/385103145.db2.gz KFZJRAOMKYAMJG-JTQLQIEISA-N 1 0 224.304 2.265 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000336261726 385103302 /nfs/dbraw/zinc/10/33/02/385103302.db2.gz LWDILWDYJULCKE-CYBMUJFWSA-N 1 0 248.301 2.354 20 30 BEEDRO CO[C@](C)(C[NH2+]Cc1ccc(C#N)cc1)C1CC1 ZINC000310809866 385181588 /nfs/dbraw/zinc/18/15/88/385181588.db2.gz BWIRIQSLSXMZMT-OAHLLOKOSA-N 1 0 244.338 2.463 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](Cc1ccccc1)OC ZINC000491623967 385186982 /nfs/dbraw/zinc/18/69/82/385186982.db2.gz KLBTTWKSBRIYMA-UKRRQHHQSA-N 1 0 231.339 2.198 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@H](Cc1ccccc1)OC ZINC000491623970 385188325 /nfs/dbraw/zinc/18/83/25/385188325.db2.gz KLBTTWKSBRIYMA-ZFWWWQNUSA-N 1 0 231.339 2.198 20 30 BEEDRO COc1cccnc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449750137 385146223 /nfs/dbraw/zinc/14/62/23/385146223.db2.gz SUTWGPGFYZOVST-RYUDHWBXSA-N 1 0 245.326 2.262 20 30 BEEDRO C[C@@H](CCC#N)[NH2+][C@@H](C)C1CCOCC1 ZINC000308832806 385200475 /nfs/dbraw/zinc/20/04/75/385200475.db2.gz GWHUHEGBEIROFX-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)C1(OC)CCCC1 ZINC000643348403 385166009 /nfs/dbraw/zinc/16/60/09/385166009.db2.gz AFRDAZXSRMFKNM-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000444682388 385173858 /nfs/dbraw/zinc/17/38/58/385173858.db2.gz ZYKPXRJPAFGYQU-GFCCVEGCSA-N 1 0 213.321 2.038 20 30 BEEDRO CC(C)[C@H]1C[C@@H]([NH2+]CCCC#N)CCO1 ZINC000308860310 385222870 /nfs/dbraw/zinc/22/28/70/385222870.db2.gz RFPKVBXYYKPELO-NWDGAFQWSA-N 1 0 210.321 2.083 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)CCCC ZINC000448962211 385233203 /nfs/dbraw/zinc/23/32/03/385233203.db2.gz PUCRNHREHMLZCE-UHFFFAOYSA-N 1 0 226.364 2.047 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCCC(F)(F)F ZINC000308878532 385233665 /nfs/dbraw/zinc/23/36/65/385233665.db2.gz SVHDHVKCJDOGCF-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC1([S@](C)=O)CC1 ZINC000308895026 385246824 /nfs/dbraw/zinc/24/68/24/385246824.db2.gz ZAIRFGPNUDPXOG-RWSFTLGLSA-N 1 0 229.389 2.088 20 30 BEEDRO C#C[C@H](CC)[NH2+]CC1(OC)CCCCC1 ZINC000309207047 385203992 /nfs/dbraw/zinc/20/39/92/385203992.db2.gz SFFPQGSIBMFVAD-GFCCVEGCSA-N 1 0 209.333 2.337 20 30 BEEDRO CC[C@H]([NH2+]CCCCC#N)c1cnn(C)c1 ZINC000167253905 385305013 /nfs/dbraw/zinc/30/50/13/385305013.db2.gz CVIWOZKUUUJIIO-LBPRGKRZSA-N 1 0 220.320 2.155 20 30 BEEDRO CC#CC[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000157919531 385310989 /nfs/dbraw/zinc/31/09/89/385310989.db2.gz XQNBEKXDPZBPIN-CQSZACIVSA-N 1 0 214.312 2.196 20 30 BEEDRO C#C[C@@H](C)[N@@H+](C)Cc1cc(F)cc(OC)c1 ZINC000491256048 385260398 /nfs/dbraw/zinc/26/03/98/385260398.db2.gz ZFXDCSUATRLBQO-SNVBAGLBSA-N 1 0 221.275 2.288 20 30 BEEDRO COc1cc(C)cc(CNC(=[NH2+])NCC(C)C)c1 ZINC000130641698 385270556 /nfs/dbraw/zinc/27/05/56/385270556.db2.gz RMLQMYAAJKICCD-UHFFFAOYSA-N 1 0 249.358 2.064 20 30 BEEDRO C=CCCCCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000300224896 385274681 /nfs/dbraw/zinc/27/46/81/385274681.db2.gz PNRJXTJHHMMDEX-IHRRRGAJSA-N 1 0 223.360 2.436 20 30 BEEDRO Cc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C)[C@@H]1CO ZINC000189696714 385287044 /nfs/dbraw/zinc/28/70/44/385287044.db2.gz GFEWAZHZTXDGPN-ABAIWWIYSA-N 1 0 244.338 2.069 20 30 BEEDRO C[C@@H](CCCC#N)[NH2+][C@@]1(C)CCCOC1 ZINC001172490429 974836253 /nfs/dbraw/zinc/83/62/53/974836253.db2.gz GUTWTOKTJJDXIP-RYUDHWBXSA-N 1 0 210.321 2.227 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1ccc(C#N)cc1F ZINC000158117966 385346393 /nfs/dbraw/zinc/34/63/93/385346393.db2.gz OISLEWRWXFBEHC-UHFFFAOYSA-N 1 0 248.301 2.380 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@H](CO)CC(F)(F)F ZINC000309002215 385363635 /nfs/dbraw/zinc/36/36/35/385363635.db2.gz OLOMXNHHCMCCCB-BDAKNGLRSA-N 1 0 225.254 2.244 20 30 BEEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000192619384 385365560 /nfs/dbraw/zinc/36/55/60/385365560.db2.gz KNMCZSNIVXMDII-UONOGXRCSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCN(C(=O)C[C@@H]([NH3+])c1ccccc1)C1CC1 ZINC000165270987 385368457 /nfs/dbraw/zinc/36/84/57/385368457.db2.gz NZOXESHOXHLFSK-CQSZACIVSA-N 1 0 244.338 2.254 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000309019688 385372670 /nfs/dbraw/zinc/37/26/70/385372670.db2.gz WHJYNASCIUWWSY-DRZSPHRISA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC[C@@](O)(CF)CC1 ZINC001172490909 974836245 /nfs/dbraw/zinc/83/62/45/974836245.db2.gz AKWUMIFLGKBXAF-OLZOCXBDSA-N 1 0 242.338 2.255 20 30 BEEDRO CC#CC[NH2+]C1(c2cccc(F)c2)CC1 ZINC000179690931 385378553 /nfs/dbraw/zinc/37/85/53/385378553.db2.gz GRZBRVGBAINEFI-UHFFFAOYSA-N 1 0 203.260 2.428 20 30 BEEDRO CC#CC[NH2+][C@H](CCCO)c1ccccc1 ZINC000179740635 385381803 /nfs/dbraw/zinc/38/18/03/385381803.db2.gz YRBUEZHIIJLHDQ-CQSZACIVSA-N 1 0 217.312 2.113 20 30 BEEDRO C=C(CC)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000309105236 385424681 /nfs/dbraw/zinc/42/46/81/385424681.db2.gz HPQRKZZYYCPFBA-QWHCGFSZSA-N 1 0 209.333 2.500 20 30 BEEDRO CC#CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000448332257 385441584 /nfs/dbraw/zinc/44/15/84/385441584.db2.gz MNGANBBSJRARJA-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC1([S@](C)=O)CC1 ZINC000309166671 385445900 /nfs/dbraw/zinc/44/59/00/385445900.db2.gz JHDNQVHCDDXAQC-ABAIWWIYSA-N 1 0 229.389 2.232 20 30 BEEDRO Cc1ccoc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309185751 385449950 /nfs/dbraw/zinc/44/99/50/385449950.db2.gz OSLRJDIYALFDNZ-QWRGUYRKSA-N 1 0 204.273 2.370 20 30 BEEDRO Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000180083026 385451054 /nfs/dbraw/zinc/45/10/54/385451054.db2.gz MSCVDKKKHQLUSX-SNVBAGLBSA-N 1 0 240.310 2.441 20 30 BEEDRO CN(C)C(=[NH2+])NCc1ccc(C(F)(F)F)cc1 ZINC000170909154 385454567 /nfs/dbraw/zinc/45/45/67/385454567.db2.gz REZSSDJJPFSUNQ-UHFFFAOYSA-N 1 0 245.248 2.082 20 30 BEEDRO C=C[C@@H](C)[NH2+]CCCc1cnccc1C ZINC000309130997 385431095 /nfs/dbraw/zinc/43/10/95/385431095.db2.gz QZIJIYNJAMVZOU-GFCCVEGCSA-N 1 0 204.317 2.487 20 30 BEEDRO C=CCCC[C@H](C)[NH2+]Cc1cncn1C ZINC000182683444 385470154 /nfs/dbraw/zinc/47/01/54/385470154.db2.gz VBGZLCOFGHEVTK-NSHDSACASA-N 1 0 207.321 2.255 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000309222577 385488267 /nfs/dbraw/zinc/48/82/67/385488267.db2.gz VMEKTMWAZAJNCW-SDDRHHMPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC#CCC[N@H+](C)CCc1nccs1 ZINC000157024400 385481871 /nfs/dbraw/zinc/48/18/71/385481871.db2.gz FUOPGVSMDDJJAY-UHFFFAOYSA-N 1 0 208.330 2.031 20 30 BEEDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C#N)nc1 ZINC000149382856 134450255 /nfs/dbraw/zinc/45/02/55/134450255.db2.gz GXXZLIUEYSUSEN-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnn2ccccc12 ZINC000171764206 385516495 /nfs/dbraw/zinc/51/64/95/385516495.db2.gz BJLLXZLUGGBYRV-UHFFFAOYSA-N 1 0 228.299 2.118 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000309416917 385575185 /nfs/dbraw/zinc/57/51/85/385575185.db2.gz JJEXSRDYFUFYAT-NSHDSACASA-N 1 0 224.304 2.226 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)nc(C#N)c1 ZINC000308281494 385565628 /nfs/dbraw/zinc/56/56/28/385565628.db2.gz ZXZVZIOFABWKKQ-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000181302520 385570676 /nfs/dbraw/zinc/57/06/76/385570676.db2.gz QDHKNHVCQZRDFO-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000308675208 385597831 /nfs/dbraw/zinc/59/78/31/385597831.db2.gz VYWUJYIUGKSFIQ-BDAKNGLRSA-N 1 0 202.248 2.314 20 30 BEEDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309471959 385601192 /nfs/dbraw/zinc/60/11/92/385601192.db2.gz QVZXAFFQJJXIQL-SDDRHHMPSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@@H](CCC#N)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000411768190 385606747 /nfs/dbraw/zinc/60/67/47/385606747.db2.gz HJXAVRDYLOFYJU-OLZOCXBDSA-N 1 0 235.375 2.095 20 30 BEEDRO CC(C)[C@@]1(CO)CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000411768750 385605959 /nfs/dbraw/zinc/60/59/59/385605959.db2.gz GGPCJIHLIWISCY-KBPBESRZSA-N 1 0 238.375 2.409 20 30 BEEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ncccc1C#N ZINC000290811890 385616608 /nfs/dbraw/zinc/61/66/08/385616608.db2.gz ZUCCTMXPEPOPQD-LLVKDONJSA-N 1 0 232.331 2.094 20 30 BEEDRO CC(C)(C)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000595056146 385618639 /nfs/dbraw/zinc/61/86/39/385618639.db2.gz BKBQOAZYOHMYRH-UPJWGTAASA-N 1 0 235.375 2.141 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1ccc(F)cc1 ZINC000309499869 385626911 /nfs/dbraw/zinc/62/69/11/385626911.db2.gz ZJHREPYYLIDTLY-CHWSQXEVSA-N 1 0 223.291 2.413 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1coc2ccccc12 ZINC000336681250 385637936 /nfs/dbraw/zinc/63/79/36/385637936.db2.gz OQLZOVGWSKOZBA-LLVKDONJSA-N 1 0 217.268 2.069 20 30 BEEDRO CC#CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000336653208 385666213 /nfs/dbraw/zinc/66/62/13/385666213.db2.gz JAVRTNVYVRZIDS-NXEZZACHSA-N 1 0 235.249 2.099 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1ccc(CC)o1 ZINC000309502246 385639978 /nfs/dbraw/zinc/63/99/78/385639978.db2.gz ACEANKMTUAIHOG-NSHDSACASA-N 1 0 223.316 2.116 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccc(CC)o1 ZINC000309502243 385640550 /nfs/dbraw/zinc/64/05/50/385640550.db2.gz ACEANKMTUAIHOG-LLVKDONJSA-N 1 0 223.316 2.116 20 30 BEEDRO N#CCCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000595822174 385641195 /nfs/dbraw/zinc/64/11/95/385641195.db2.gz ONWSMIHAWMGHBC-UHFFFAOYSA-N 1 0 234.343 2.181 20 30 BEEDRO CC#CC[N@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000451076293 385646520 /nfs/dbraw/zinc/64/65/20/385646520.db2.gz GPGLTJGIEHPFDL-HIFRSBDPSA-N 1 0 231.339 2.106 20 30 BEEDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000308965071 385671703 /nfs/dbraw/zinc/67/17/03/385671703.db2.gz UVSZYGBNNKLKTR-BDAKNGLRSA-N 1 0 224.329 2.133 20 30 BEEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000309540430 385673584 /nfs/dbraw/zinc/67/35/84/385673584.db2.gz FSZCPVHORIXFOK-GVXVVHGQSA-N 1 0 222.332 2.083 20 30 BEEDRO CO[C@H]1C[C@H]([N@H+](C)CCCC#N)C12CCC2 ZINC000451827273 385680621 /nfs/dbraw/zinc/68/06/21/385680621.db2.gz GPFCXRIZDWKMSC-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000309554171 385686865 /nfs/dbraw/zinc/68/68/65/385686865.db2.gz GYYNEKKPDJGUNH-WCQYABFASA-N 1 0 237.730 2.464 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cc(C#N)ccc1OC ZINC000491729760 385702264 /nfs/dbraw/zinc/70/22/64/385702264.db2.gz NVDLLQINHOSMDS-LLVKDONJSA-N 1 0 228.295 2.020 20 30 BEEDRO CC[C@@H](C[NH2+]Cc1ccc(C#N)cc1)OC ZINC000289907644 385703370 /nfs/dbraw/zinc/70/33/70/385703370.db2.gz UODYQHPCXZVCBS-ZDUSSCGKSA-N 1 0 218.300 2.073 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000397785435 385710772 /nfs/dbraw/zinc/71/07/72/385710772.db2.gz QJUUBESPNFWRHM-GFCCVEGCSA-N 1 0 232.327 2.056 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000320188249 385666540 /nfs/dbraw/zinc/66/65/40/385666540.db2.gz AUAUDMSUQZWTPW-MJBXVCDLSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000320188242 385666978 /nfs/dbraw/zinc/66/69/78/385666978.db2.gz AUAUDMSUQZWTPW-BFHYXJOUSA-N 1 0 241.375 2.107 20 30 BEEDRO COC1(CC[N@H+](C)C[C@@H](C)C#N)CCC1 ZINC000336654345 385727713 /nfs/dbraw/zinc/72/77/13/385727713.db2.gz GUVYSCDJNIGPQM-NSHDSACASA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccncc1Cl ZINC000231821028 385728851 /nfs/dbraw/zinc/72/88/51/385728851.db2.gz QCJJNNXZPFVWSG-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO CSC1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000336656690 385785868 /nfs/dbraw/zinc/78/58/68/385785868.db2.gz OSKGKRYHYVJYEY-VHSXEESVSA-N 1 0 210.346 2.164 20 30 BEEDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(C#N)cs2)O1 ZINC000398093549 385737344 /nfs/dbraw/zinc/73/73/44/385737344.db2.gz PEPOWTPRSUYZIV-GXSJLCMTSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185795591 385739936 /nfs/dbraw/zinc/73/99/36/385739936.db2.gz IFGPWUXZVWIZNU-RWMBFGLXSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185873830 385742507 /nfs/dbraw/zinc/74/25/07/385742507.db2.gz WPNQAJISYIISSN-STQMWFEESA-N 1 0 222.332 2.251 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CCC1CC(O)C1 ZINC000309671324 385786359 /nfs/dbraw/zinc/78/63/59/385786359.db2.gz JZURKCDLVWSBLN-UHFFFAOYSA-N 1 0 224.348 2.067 20 30 BEEDRO CSC1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000336656689 385786370 /nfs/dbraw/zinc/78/63/70/385786370.db2.gz OSKGKRYHYVJYEY-UWVGGRQHSA-N 1 0 210.346 2.164 20 30 BEEDRO CCC1(C[NH2+]CC(C)(C)CCC#N)COC1 ZINC000309612202 385747404 /nfs/dbraw/zinc/74/74/04/385747404.db2.gz ALWUEFKCOLJGDU-UHFFFAOYSA-N 1 0 224.348 2.333 20 30 BEEDRO C=CCNC(=O)C[NH+]1CCC(C)(C(C)C)CC1 ZINC000186194269 385752930 /nfs/dbraw/zinc/75/29/30/385752930.db2.gz MEHGSWZSQOWTII-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCCC#N ZINC000186381811 385758212 /nfs/dbraw/zinc/75/82/12/385758212.db2.gz GPDAYCQYXJHNQM-CHWSQXEVSA-N 1 0 224.348 2.473 20 30 BEEDRO CC(C)(CCCO)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309680600 385787166 /nfs/dbraw/zinc/78/71/66/385787166.db2.gz NBSREHHCNIHJMJ-NWDGAFQWSA-N 1 0 224.348 2.067 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1OC ZINC000186695077 385781472 /nfs/dbraw/zinc/78/14/72/385781472.db2.gz PMTMPGIOIYDEKG-RYUDHWBXSA-N 1 0 235.327 2.283 20 30 BEEDRO C#C[C@H](C)N(C)Cc1cn2cc(C)ccc2n1 ZINC000491745880 385781531 /nfs/dbraw/zinc/78/15/31/385781531.db2.gz ZCNVEINYGFVLNP-LBPRGKRZSA-N 1 0 227.311 2.096 20 30 BEEDRO CC#CCC[N@H+](C)CCC1CCOCC1 ZINC000185038694 385722260 /nfs/dbraw/zinc/72/22/60/385722260.db2.gz YFAWMCZFRKPHHJ-UHFFFAOYSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000186712736 385785472 /nfs/dbraw/zinc/78/54/72/385785472.db2.gz YGEXNGFIIHGKBC-IUODEOHRSA-N 1 0 247.338 2.209 20 30 BEEDRO C[C@H]([NH2+]CCCCC#N)[C@@H]1CC1(F)F ZINC000602542437 385806458 /nfs/dbraw/zinc/80/64/58/385806458.db2.gz XLGKMWSHALCPDF-IUCAKERBSA-N 1 0 202.248 2.314 20 30 BEEDRO C=CCCC[N@@H+](C)CC1(N(C)C)CCC1 ZINC000186990733 385822244 /nfs/dbraw/zinc/82/22/44/385822244.db2.gz KLCKIKMHGWDRTC-UHFFFAOYSA-N 1 0 210.365 2.369 20 30 BEEDRO CCCCC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853553 385826424 /nfs/dbraw/zinc/82/64/24/385826424.db2.gz JYAAICBASIINBC-BETUJISGSA-N 1 0 223.364 2.095 20 30 BEEDRO C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H](C)N1CC#N ZINC000602854231 385828178 /nfs/dbraw/zinc/82/81/78/385828178.db2.gz ATBZOTYTLUYTIG-OKILXGFUSA-N 1 0 249.402 2.485 20 30 BEEDRO C[C@@H](C#N)CN(C)Cc1cn(C)nc1C(C)(C)C ZINC000271745613 385848609 /nfs/dbraw/zinc/84/86/09/385848609.db2.gz SPBJCANWLRCPQN-NSHDSACASA-N 1 0 248.374 2.309 20 30 BEEDRO N#CCC1(C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000228566545 385885466 /nfs/dbraw/zinc/88/54/66/385885466.db2.gz JBSZGTFUCFSLBP-JTQLQIEISA-N 1 0 210.346 2.023 20 30 BEEDRO CC[NH+](CC)[C@H](C)CNc1ccc(C#N)c(C)n1 ZINC000291636787 385902992 /nfs/dbraw/zinc/90/29/92/385902992.db2.gz LZMXEHDRAPDELR-LLVKDONJSA-N 1 0 246.358 2.404 20 30 BEEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1cccnc1C#N ZINC000357583674 385906341 /nfs/dbraw/zinc/90/63/41/385906341.db2.gz RPBDXTBXCDSEGO-NSHDSACASA-N 1 0 232.331 2.094 20 30 BEEDRO CC[C@@H](C)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341986795 385915704 /nfs/dbraw/zinc/91/57/04/385915704.db2.gz FRYQDHQTTCHEKS-GFCCVEGCSA-N 1 0 224.348 2.285 20 30 BEEDRO CO[C@@H](C)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000182433745 385862696 /nfs/dbraw/zinc/86/26/96/385862696.db2.gz REJLPFADWSMUKL-WDEREUQCSA-N 1 0 218.300 2.244 20 30 BEEDRO CN(C)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCC1 ZINC000618577469 385873044 /nfs/dbraw/zinc/87/30/44/385873044.db2.gz JRCZKQQYLCARAP-OLZOCXBDSA-N 1 0 235.375 2.143 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000643254526 385988041 /nfs/dbraw/zinc/98/80/41/385988041.db2.gz NXMDXFHOZJJPGR-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO Cc1cc(CNC(=[NH2+])N(C)C2CC2)ccc1F ZINC000273326614 385989194 /nfs/dbraw/zinc/98/91/94/385989194.db2.gz HZFCJZUTTOKZBV-UHFFFAOYSA-N 1 0 235.306 2.043 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000643254487 385989111 /nfs/dbraw/zinc/98/91/11/385989111.db2.gz CRBXSVQRAHDTGU-KGLIPLIRSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C(=O)N(C)CC ZINC000189411277 385992923 /nfs/dbraw/zinc/99/29/23/385992923.db2.gz QUHSFJUTTOZUKX-SDDRHHMPSA-N 1 0 226.364 2.044 20 30 BEEDRO CCC1(O)CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000266590943 385965030 /nfs/dbraw/zinc/96/50/30/385965030.db2.gz MDVAAUUGJYYEFH-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO CCC1(C[NH2+]Cc2ccc(C#N)o2)CCOCC1 ZINC000266605173 385970603 /nfs/dbraw/zinc/97/06/03/385970603.db2.gz FRHDREHPEYPTRF-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000414146975 385994425 /nfs/dbraw/zinc/99/44/25/385994425.db2.gz LVUFHCXCYZJCPZ-VEGXAWMVSA-N 1 0 209.333 2.354 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000414155508 386004397 /nfs/dbraw/zinc/00/43/97/386004397.db2.gz VCRNOGNYFFVOGQ-OFTGVCEQSA-N 1 0 209.333 2.354 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)[C@@H]1C[C@@H]1C ZINC000414111854 386005700 /nfs/dbraw/zinc/00/57/00/386005700.db2.gz XOOLDVMFJKNXDO-WUHRBBMRSA-N 1 0 211.349 2.195 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)[C@H]1C[C@@H]1C ZINC000414111856 386006485 /nfs/dbraw/zinc/00/64/85/386006485.db2.gz XOOLDVMFJKNXDO-ZDEQEGDKSA-N 1 0 211.349 2.195 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414171208 386016100 /nfs/dbraw/zinc/01/61/00/386016100.db2.gz XBLUVXQVKLFCGW-WOPDTQHZSA-N 1 0 241.375 2.105 20 30 BEEDRO C=C(C)C(C)(C)C(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000335076288 386044948 /nfs/dbraw/zinc/04/49/48/386044948.db2.gz KWOQBAXLOFHOBL-NWDGAFQWSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000334454248 386102857 /nfs/dbraw/zinc/10/28/57/386102857.db2.gz MQVUEFYXDGWRKK-STQMWFEESA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000334454245 386103683 /nfs/dbraw/zinc/10/36/83/386103683.db2.gz MQVUEFYXDGWRKK-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCCc1ccccc1NC(=O)NCCC[NH3+] ZINC000415675330 386118595 /nfs/dbraw/zinc/11/85/95/386118595.db2.gz PYRBTTDGZXUGOH-UHFFFAOYSA-N 1 0 247.342 2.276 20 30 BEEDRO N#C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCOCC3)C1 ZINC000334443659 386065134 /nfs/dbraw/zinc/06/51/34/386065134.db2.gz FHSLPYQTFLBREC-QWHCGFSZSA-N 1 0 234.343 2.181 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](CO)CC=C ZINC000336772636 386069991 /nfs/dbraw/zinc/06/99/91/386069991.db2.gz YFALTHDHQGAGIV-UPJWGTAASA-N 1 0 211.349 2.361 20 30 BEEDRO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCC[C@@H](C#N)C2)[C@@H](C)O1 ZINC000414263604 386084023 /nfs/dbraw/zinc/08/40/23/386084023.db2.gz PJTMGQMDSNMMKO-DHGKCCLASA-N 1 0 236.359 2.472 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)C(=O)NC(C)C ZINC000414350233 386150426 /nfs/dbraw/zinc/15/04/26/386150426.db2.gz UEXAHRDZXSSPHD-VXGBXAGGSA-N 1 0 226.364 2.234 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C1 ZINC000414350532 386152810 /nfs/dbraw/zinc/15/28/10/386152810.db2.gz ZLBKSFWNTREYLU-YIYPIFLZSA-N 1 0 236.359 2.209 20 30 BEEDRO N#Cc1csc(C[NH2+]CC2CCOCC2)c1 ZINC000086500254 386161128 /nfs/dbraw/zinc/16/11/28/386161128.db2.gz JPDBOKYMUMMSQL-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO CCCc1nc(CO[NH+]=C(N)CC)cs1 ZINC000263647761 386161249 /nfs/dbraw/zinc/16/12/49/386161249.db2.gz AVDGOAFZRVGOQW-UHFFFAOYSA-N 1 0 227.333 2.294 20 30 BEEDRO C[C@@H]1C[N@H+](CCCC(C)(C)C#N)CC[C@@H]1O ZINC000164634190 386169074 /nfs/dbraw/zinc/16/90/74/386169074.db2.gz JLVUMEWONCQNSJ-NEPJUHHUSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415967245 386170927 /nfs/dbraw/zinc/17/09/27/386170927.db2.gz AYJTZIBANGALEV-LLVKDONJSA-N 1 0 247.342 2.492 20 30 BEEDRO C=CCOc1cccc(CNCC2([NH3+])CCC2)c1 ZINC000414890172 386127481 /nfs/dbraw/zinc/12/74/81/386127481.db2.gz TYXWEPGSTAJIAC-UHFFFAOYSA-N 1 0 246.354 2.222 20 30 BEEDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](C#N)C2)cnn1C ZINC000274627648 386132929 /nfs/dbraw/zinc/13/29/29/386132929.db2.gz NZVFUFNHCPRZCG-WCQGTBRESA-N 1 0 232.331 2.071 20 30 BEEDRO C=CCOc1ccc(CN2CCC[C@H]2C[NH3+])cc1 ZINC000347033992 386223431 /nfs/dbraw/zinc/22/34/31/386223431.db2.gz BOSNFLHUZCHQPL-AWEZNQCLSA-N 1 0 246.354 2.175 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)nc1 ZINC000571857648 386229714 /nfs/dbraw/zinc/22/97/14/386229714.db2.gz AJANCCCZSZYCQT-BETUJISGSA-N 1 0 227.311 2.185 20 30 BEEDRO C=C(CC)C[N@H+](CCCO)Cc1ccccn1 ZINC000347120764 386234972 /nfs/dbraw/zinc/23/49/72/386234972.db2.gz AALKJMMEKSIJER-UHFFFAOYSA-N 1 0 234.343 2.232 20 30 BEEDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000226250299 386242141 /nfs/dbraw/zinc/24/21/41/386242141.db2.gz WTMIFQXPQDUOGD-CQSZACIVSA-N 1 0 232.327 2.199 20 30 BEEDRO Cc1ccc(NC(=O)[C@H](C)C#N)c(C[NH+](C)C)c1 ZINC000347093762 386246309 /nfs/dbraw/zinc/24/63/09/386246309.db2.gz BRMVVXMCDIQPJE-LLVKDONJSA-N 1 0 245.326 2.155 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ncccc2C#N)C1 ZINC000267210409 386196229 /nfs/dbraw/zinc/19/62/29/386196229.db2.gz BMNFILXCQWFJFU-STQMWFEESA-N 1 0 244.342 2.238 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000347226132 386289964 /nfs/dbraw/zinc/28/99/64/386289964.db2.gz MEKDITMFIABMQN-LBPRGKRZSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[N@H+](CCCc1ccncc1)C[C@H](C)C#N ZINC000347296172 386298320 /nfs/dbraw/zinc/29/83/20/386298320.db2.gz CFQQNNNSRYWMAL-CYBMUJFWSA-N 1 0 231.343 2.496 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000366983790 386302271 /nfs/dbraw/zinc/30/22/71/386302271.db2.gz SRLFPRGXOOQPAO-GFCCVEGCSA-N 1 0 246.358 2.035 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@H](C)F ZINC000451679481 386303796 /nfs/dbraw/zinc/30/37/96/386303796.db2.gz HKMQXFZMOXRXFA-AXFHLTTASA-N 1 0 201.285 2.058 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(c2ccc(C#N)cc2)C[C@@H]1C ZINC000345170609 386306380 /nfs/dbraw/zinc/30/63/80/386306380.db2.gz IOFNTFLXOZOTNB-STQMWFEESA-N 1 0 243.354 2.477 20 30 BEEDRO C=CC[N@H+](CC1CC1)[C@@](C)(CC)C(=O)OC ZINC000425518118 386308201 /nfs/dbraw/zinc/30/82/01/386308201.db2.gz YANABWKTYBGNFZ-ZDUSSCGKSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(CC)C[N@H+](CCOC)Cc1ccccn1 ZINC000347281210 386318362 /nfs/dbraw/zinc/31/83/62/386318362.db2.gz XJHIRRGDBXRRIK-UHFFFAOYSA-N 1 0 234.343 2.496 20 30 BEEDRO CC[C@@]1(CO)CCC[N@@H+]1CCC(C)(C)C#N ZINC000347235593 386275635 /nfs/dbraw/zinc/27/56/35/386275635.db2.gz SFDLIOBKYZYWEX-ZDUSSCGKSA-N 1 0 224.348 2.163 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+]CC(C)(C)CCC#N ZINC000164859314 386342117 /nfs/dbraw/zinc/34/21/17/386342117.db2.gz LJZBRARZJYBTDS-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000280322118 386345636 /nfs/dbraw/zinc/34/56/36/386345636.db2.gz HDFHXPPMKWSLBA-ZDUSSCGKSA-N 1 0 232.327 2.111 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000181305983 386346906 /nfs/dbraw/zinc/34/69/06/386346906.db2.gz GBTKXTYIJGYMGH-LBPRGKRZSA-N 1 0 219.332 2.357 20 30 BEEDRO CC(C)N(CC#N)CC[NH+]1CCCCCC1 ZINC000347349728 386347434 /nfs/dbraw/zinc/34/74/34/386347434.db2.gz VMOGHKBIDLIFND-UHFFFAOYSA-N 1 0 223.364 2.096 20 30 BEEDRO C=CCN(Cc1cnnn1C)Cc1ccccc1 ZINC000092261424 386348543 /nfs/dbraw/zinc/34/85/43/386348543.db2.gz MLTASNLDFDVQOU-UHFFFAOYSA-N 1 0 242.326 2.003 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccnn1C ZINC000280912402 386359970 /nfs/dbraw/zinc/35/99/70/386359970.db2.gz SDVUBKSRXAKRLU-SCRDCRAPSA-N 1 0 249.358 2.052 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000181556092 386359973 /nfs/dbraw/zinc/35/99/73/386359973.db2.gz XJHBXSZSYUZRGH-SMDDNHRTSA-N 1 0 235.327 2.370 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000181556302 386360058 /nfs/dbraw/zinc/36/00/58/386360058.db2.gz XJHBXSZSYUZRGH-RISCZKNCSA-N 1 0 235.327 2.370 20 30 BEEDRO Cn1cc(C[N@@H+]2CCC(C)(C)C2)cc1C#N ZINC000276757733 386372509 /nfs/dbraw/zinc/37/25/09/386372509.db2.gz MEYXEBKVRFMWOC-UHFFFAOYSA-N 1 0 217.316 2.129 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccc(C#N)cc1 ZINC000315735536 259686754 /nfs/dbraw/zinc/68/67/54/259686754.db2.gz KWRZQMSHNVEWNT-IAQYHMDHSA-N 1 0 244.338 2.370 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CCN1CCCC1=O ZINC000519411677 386436808 /nfs/dbraw/zinc/43/68/08/386436808.db2.gz PUWBWWBKCFVIMQ-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO COc1cc(C[NH2+]CC[C@H](C)F)ccc1C#N ZINC000339487879 386449146 /nfs/dbraw/zinc/44/91/46/386449146.db2.gz XUKZXUXPGDHUQY-JTQLQIEISA-N 1 0 236.290 2.405 20 30 BEEDRO CC[N@H+](CCOc1ccc(C#N)cc1)C1CC1 ZINC000034653009 386466275 /nfs/dbraw/zinc/46/62/75/386466275.db2.gz PVUWXXRBLMXJEY-UHFFFAOYSA-N 1 0 230.311 2.421 20 30 BEEDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccnc1C#N ZINC000290728743 386469087 /nfs/dbraw/zinc/46/90/87/386469087.db2.gz AVKPVGCENDPJDC-GFCCVEGCSA-N 1 0 246.358 2.486 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC1(N(C)C)CC1 ZINC000417357734 386493835 /nfs/dbraw/zinc/49/38/35/386493835.db2.gz RXQNDEGHJOXBRS-NEPJUHHUSA-N 1 0 210.365 2.271 20 30 BEEDRO C=CCC[C@H]([NH2+]CC1(N(C)C)CC1)C1CC1 ZINC000417355477 386493951 /nfs/dbraw/zinc/49/39/51/386493951.db2.gz NSPLFLUUSSNTDV-ZDUSSCGKSA-N 1 0 222.376 2.415 20 30 BEEDRO C=C(C)CCNC(=O)c1ccccc1C[NH+](C)C ZINC000456122835 386494086 /nfs/dbraw/zinc/49/40/86/386494086.db2.gz OXCQBVKMSLKPTA-UHFFFAOYSA-N 1 0 246.354 2.444 20 30 BEEDRO C=CCCCC[NH+]1CCC(OCCOC)CC1 ZINC000519624101 386509901 /nfs/dbraw/zinc/50/99/01/386509901.db2.gz GXMXPVUBDGKQAL-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C=C(Cl)C[N@H+](C)CCCn1ccnc1C ZINC000299526798 386463759 /nfs/dbraw/zinc/46/37/59/386463759.db2.gz DJCCFENIDXWMGH-UHFFFAOYSA-N 1 0 227.739 2.266 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)CC1(O)CCCC1 ZINC000087463110 386465953 /nfs/dbraw/zinc/46/59/53/386465953.db2.gz LEXQLPRVDNAXDW-UHFFFAOYSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1cccs1 ZINC000336644827 386598114 /nfs/dbraw/zinc/59/81/14/386598114.db2.gz ATBVNNKEJPKIFP-JTQLQIEISA-N 1 0 211.330 2.022 20 30 BEEDRO CC1CCN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000442725920 386577645 /nfs/dbraw/zinc/57/76/45/386577645.db2.gz QOIMCRZXBITQPY-KBPBESRZSA-N 1 0 235.375 2.000 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc(C(N)=O)co1)C1CC1 ZINC000187728193 386585541 /nfs/dbraw/zinc/58/55/41/386585541.db2.gz FYZHVLKKBAOQAF-ZDUSSCGKSA-N 1 0 248.326 2.213 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cc(C(N)=O)co1)C1CC1 ZINC000187728212 386587703 /nfs/dbraw/zinc/58/77/03/386587703.db2.gz FYZHVLKKBAOQAF-CYBMUJFWSA-N 1 0 248.326 2.213 20 30 BEEDRO Cc1c[nH+]ccc1N1CCC(F)(C#N)CC1 ZINC000343240311 386534566 /nfs/dbraw/zinc/53/45/66/386534566.db2.gz UFRLTQQLIKGPBF-UHFFFAOYSA-N 1 0 219.263 2.222 20 30 BEEDRO C=CCC[C@@H](NC(=O)C[NH+](C)C)c1ccccc1 ZINC000123048654 386537428 /nfs/dbraw/zinc/53/74/28/386537428.db2.gz VXIKZQNOMGFDBT-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C=CCOc1ccc(CNC[C@@H]([NH3+])C(C)C)cc1 ZINC000414791204 386555106 /nfs/dbraw/zinc/55/51/06/386555106.db2.gz HIPYTKDTEDPZEF-OAHLLOKOSA-N 1 0 248.370 2.324 20 30 BEEDRO C=C(C)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000335409671 386571948 /nfs/dbraw/zinc/57/19/48/386571948.db2.gz UMQINEZUSQZDQC-GFCCVEGCSA-N 1 0 227.373 2.161 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccoc1C ZINC000414459625 386573033 /nfs/dbraw/zinc/57/30/33/386573033.db2.gz BQUAPSYROMFLTO-OLZOCXBDSA-N 1 0 221.300 2.411 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000520967601 386636234 /nfs/dbraw/zinc/63/62/34/386636234.db2.gz PEGCTJUWCVGQNM-CYBMUJFWSA-N 1 0 225.332 2.228 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)C1 ZINC000328868170 386638024 /nfs/dbraw/zinc/63/80/24/386638024.db2.gz XIBWJNSYCOQODC-SJHCENCUSA-N 1 0 247.342 2.314 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 ZINC000328868167 386639398 /nfs/dbraw/zinc/63/93/98/386639398.db2.gz XIBWJNSYCOQODC-KSSYENDESA-N 1 0 247.342 2.314 20 30 BEEDRO C=C(C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000428122717 386665295 /nfs/dbraw/zinc/66/52/95/386665295.db2.gz ULRIZBGTGYTPFK-ZDUSSCGKSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)C[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000647953763 386672972 /nfs/dbraw/zinc/67/29/72/386672972.db2.gz RYVQSOFEGUIDBJ-CYBMUJFWSA-N 1 0 234.343 2.307 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336648081 386676135 /nfs/dbraw/zinc/67/61/35/386676135.db2.gz CJEDICZISUHQGN-UPJWGTAASA-N 1 0 224.348 2.065 20 30 BEEDRO C=CC[N@H+](CCc1c[nH]nn1)Cc1ccccc1 ZINC000647955956 386686629 /nfs/dbraw/zinc/68/66/29/386686629.db2.gz PQINOYUUJQNMOZ-UHFFFAOYSA-N 1 0 242.326 2.035 20 30 BEEDRO Cc1cc(C#N)cc(NCC2(C)CC[NH2+]CC2)n1 ZINC000161794708 386694591 /nfs/dbraw/zinc/69/45/91/386694591.db2.gz IMALUCXDYNSHDD-UHFFFAOYSA-N 1 0 244.342 2.063 20 30 BEEDRO CC#CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000520575106 386702104 /nfs/dbraw/zinc/70/21/04/386702104.db2.gz BSQYGNYDXHSDFH-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CCC)C1CCC1 ZINC000324969699 386706879 /nfs/dbraw/zinc/70/68/79/386706879.db2.gz NHVBVPHWUVBOCD-WCQYABFASA-N 1 0 238.375 2.236 20 30 BEEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CCC)C1CCC1 ZINC000324969697 386707675 /nfs/dbraw/zinc/70/76/75/386707675.db2.gz NHVBVPHWUVBOCD-AAEUAGOBSA-N 1 0 238.375 2.236 20 30 BEEDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1ccc(F)cc1C#N ZINC000229600778 386731185 /nfs/dbraw/zinc/73/11/85/386731185.db2.gz MPKFNYNQCAWKGY-CABZTGNLSA-N 1 0 233.290 2.250 20 30 BEEDRO C=CCOCC[N@@H+]1CCOCC2(CCCC2)C1 ZINC000645121879 386732704 /nfs/dbraw/zinc/73/27/04/386732704.db2.gz RCWFXWHDYOGLFX-UHFFFAOYSA-N 1 0 239.359 2.082 20 30 BEEDRO C=CCOCC[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000645117482 386730092 /nfs/dbraw/zinc/73/00/92/386730092.db2.gz OINSXQWUYAMDOQ-HNNXBMFYSA-N 1 0 246.354 2.149 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348519630 386748142 /nfs/dbraw/zinc/74/81/42/386748142.db2.gz DYARUHFKFWEJDF-AXFHLTTASA-N 1 0 249.301 2.063 20 30 BEEDRO COCC[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824452 386749802 /nfs/dbraw/zinc/74/98/02/386749802.db2.gz YTLHAFWYNPNQTQ-NSHDSACASA-N 1 0 248.326 2.081 20 30 BEEDRO COC[C@@H](C)[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833258 386780750 /nfs/dbraw/zinc/78/07/50/386780750.db2.gz JYSTUQHQGHHOAF-LLVKDONJSA-N 1 0 248.326 2.034 20 30 BEEDRO CC[N@H+](C)Cc1ccc(OC)c(C#N)c1 ZINC000087833129 386781308 /nfs/dbraw/zinc/78/13/08/386781308.db2.gz UPIDNKPIGMJLJU-UHFFFAOYSA-N 1 0 204.273 2.019 20 30 BEEDRO N#Cc1cccc(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442860682 386782803 /nfs/dbraw/zinc/78/28/03/386782803.db2.gz CJYJMTQAZDEOAP-HUUCEWRRSA-N 1 0 239.322 2.383 20 30 BEEDRO CC[C@@H](C)[N@H+](C)CCNc1cnccc1C#N ZINC000218083358 386805928 /nfs/dbraw/zinc/80/59/28/386805928.db2.gz KBWGWYZBYAILGM-LLVKDONJSA-N 1 0 232.331 2.095 20 30 BEEDRO C=C(C)CC[NH2+][C@H](Cn1cccn1)C(C)C ZINC000395303853 386808101 /nfs/dbraw/zinc/80/81/01/386808101.db2.gz WINVHUWABYCCRN-CYBMUJFWSA-N 1 0 221.348 2.464 20 30 BEEDRO CCC(CC)(C[NH2+][C@H]1CC[C@H](C#N)C1)OC ZINC000336670139 386808927 /nfs/dbraw/zinc/80/89/27/386808927.db2.gz AAGVLCUMDOYMQO-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)[C@@H]1CCOC1 ZINC000411496816 386826707 /nfs/dbraw/zinc/82/67/07/386826707.db2.gz YPZAEVXZOGYTBV-GFCCVEGCSA-N 1 0 221.300 2.099 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CC[C@H]1SC ZINC000425340440 386841747 /nfs/dbraw/zinc/84/17/47/386841747.db2.gz FALGHCIOYSHLMI-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO C=CCOc1ccc(C[NH2+]CCF)cc1 ZINC000336674122 386842645 /nfs/dbraw/zinc/84/26/45/386842645.db2.gz HCKHRDYRYUDTFM-UHFFFAOYSA-N 1 0 209.264 2.311 20 30 BEEDRO C#CCOc1ccccc1C[NH2+]CCCC#N ZINC000273066776 533197452 /nfs/dbraw/zinc/19/74/52/533197452.db2.gz NQQWNILVOHMXHC-UHFFFAOYSA-N 1 0 228.295 2.092 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(CO)o1)C1CCCC1 ZINC000093819783 386848636 /nfs/dbraw/zinc/84/86/36/386848636.db2.gz QBWPLFQAMINORW-UHFFFAOYSA-N 1 0 233.311 2.150 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1CCCC1(C)C ZINC000191307985 386849354 /nfs/dbraw/zinc/84/93/54/386849354.db2.gz BCZSMSVAYQHBAK-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO CCC#C[C@H](C)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000645187058 386850311 /nfs/dbraw/zinc/85/03/11/386850311.db2.gz WVKJHXFTTAUMKB-GJZGRUSLSA-N 1 0 234.387 2.206 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2ncc(C)o2)CC1 ZINC000638523748 386856608 /nfs/dbraw/zinc/85/66/08/386856608.db2.gz GFMCQNGNGPHTPE-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(C)(C)C#N)C[C@H]2C1 ZINC000425348492 386863908 /nfs/dbraw/zinc/86/39/08/386863908.db2.gz YTFZTMYAIOFJMO-PPANGVADSA-N 1 0 236.359 2.329 20 30 BEEDRO C=C(C)C[NH+]1CCC(C)(c2nc(C)no2)CC1 ZINC000334873480 386935478 /nfs/dbraw/zinc/93/54/78/386935478.db2.gz VACVGBJBXOIABN-UHFFFAOYSA-N 1 0 235.331 2.308 20 30 BEEDRO C=CCn1cc(C[NH2+]C[C@@H](C)CC(C)C)nn1 ZINC000425356173 386968967 /nfs/dbraw/zinc/96/89/67/386968967.db2.gz PRZIGUSAEJHEDJ-LBPRGKRZSA-N 1 0 236.363 2.236 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425358650 386976035 /nfs/dbraw/zinc/97/60/35/386976035.db2.gz UEPMEFUFSIXRBZ-MMWGEVLESA-N 1 0 210.346 2.020 20 30 BEEDRO COCC1(C[NH2+]Cc2ccc(C#N)o2)CCCC1 ZINC000449741922 386951035 /nfs/dbraw/zinc/95/10/35/386951035.db2.gz MJSBIGDMTURIEJ-UHFFFAOYSA-N 1 0 248.326 2.448 20 30 BEEDRO CO[C@@H]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000190918803 387037495 /nfs/dbraw/zinc/03/74/95/387037495.db2.gz SWSGMQNSKJLDLU-WDEREUQCSA-N 1 0 236.340 2.277 20 30 BEEDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1 ZINC000190918923 387038174 /nfs/dbraw/zinc/03/81/74/387038174.db2.gz FBCDBCVOBVNUPY-ZJUUUORDSA-N 1 0 236.340 2.277 20 30 BEEDRO CO[C@H]1CC[C@H]([NH2+]Cc2cc(C#N)cs2)C1 ZINC000190918818 387038414 /nfs/dbraw/zinc/03/84/14/387038414.db2.gz SWSGMQNSKJLDLU-QWRGUYRKSA-N 1 0 236.340 2.277 20 30 BEEDRO CC(C)(C#N)CCC[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228036359 387061789 /nfs/dbraw/zinc/06/17/89/387061789.db2.gz TYFGQBYPIWRKDR-YNEHKIRRSA-N 1 0 236.359 2.019 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCCOCC2CC2)C1 ZINC000192619397 387011984 /nfs/dbraw/zinc/01/19/84/387011984.db2.gz KNMCZSNIVXMDII-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3(C#N)CCC3)C[C@H]2C1 ZINC000425374655 387014905 /nfs/dbraw/zinc/01/49/05/387014905.db2.gz XUBSLAHDQZPMID-COVPZLACSA-N 1 0 248.370 2.473 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC000418120583 387072948 /nfs/dbraw/zinc/07/29/48/387072948.db2.gz VXSBDDIHOSRXMI-OTVXOJSOSA-N 1 0 247.338 2.254 20 30 BEEDRO C#CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976672 387085883 /nfs/dbraw/zinc/08/58/83/387085883.db2.gz WUBJWIGNDXVKML-AWEZNQCLSA-N 1 0 245.322 2.006 20 30 BEEDRO COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000019904553 387089975 /nfs/dbraw/zinc/08/99/75/387089975.db2.gz ASUFDTFQJNPRKP-MNOVXSKESA-N 1 0 218.300 2.244 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc2ccccn21 ZINC000228448438 387093774 /nfs/dbraw/zinc/09/37/74/387093774.db2.gz BCPMMIOCGWRGIL-LLVKDONJSA-N 1 0 230.315 2.174 20 30 BEEDRO Cc1cc(NCC2CCCC2)c(C#N)cn1 ZINC000399445267 387101671 /nfs/dbraw/zinc/10/16/71/387101671.db2.gz LUJDNQMFVDCEQZ-UHFFFAOYSA-N 1 0 215.300 2.286 20 30 BEEDRO C[C@H]([NH3+])[C@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000127387898 387116947 /nfs/dbraw/zinc/11/69/47/387116947.db2.gz RTXIELQHTJERKZ-ONGXEEELSA-N 1 0 249.745 2.385 20 30 BEEDRO CC#CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000186683942 387121956 /nfs/dbraw/zinc/12/19/56/387121956.db2.gz OHUCTIKYFHYQMT-OAHLLOKOSA-N 1 0 227.307 2.141 20 30 BEEDRO C[N@H+](CC(C)(C)CCC#N)CC1(CO)CC1 ZINC000188957301 387123310 /nfs/dbraw/zinc/12/33/10/387123310.db2.gz UQXGFSYRQAVURJ-UHFFFAOYSA-N 1 0 224.348 2.021 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000418119290 387068362 /nfs/dbraw/zinc/06/83/62/387068362.db2.gz UTEITZFRYUGNKP-OTVXOJSOSA-N 1 0 247.338 2.254 20 30 BEEDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CCC1 ZINC000418143773 387166501 /nfs/dbraw/zinc/16/65/01/387166501.db2.gz QYXHELPTDYPXDT-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C[C@H](CC1CCOCC1)[NH2+]CC1(C#N)CCC1 ZINC000418145267 387166980 /nfs/dbraw/zinc/16/69/80/387166980.db2.gz WZEAKVOMQOSJCN-GFCCVEGCSA-N 1 0 236.359 2.475 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC2(CO)CCCC2)C1 ZINC000193300485 387193330 /nfs/dbraw/zinc/19/33/30/387193330.db2.gz ZVOYXZRTMJKAIP-STQMWFEESA-N 1 0 236.359 2.211 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NC1CC[NH+](CC)CC1 ZINC000424572865 387171399 /nfs/dbraw/zinc/17/13/99/387171399.db2.gz XXZMZOZTVCAARR-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@H](CC)NC(=O)N[C@H](C[NH3+])CCCC ZINC000418155765 387177295 /nfs/dbraw/zinc/17/72/95/387177295.db2.gz ZXJHHPVLXXIQFZ-RYUDHWBXSA-N 1 0 241.379 2.158 20 30 BEEDRO CC[NH+](CC)[C@@H]1CCN(CCCCC#N)C1 ZINC000062979910 387189883 /nfs/dbraw/zinc/18/98/83/387189883.db2.gz NSSVXDPYEHCIOO-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO C[C@@H]([NH2+]CC(C)(C)CCC#N)[C@H]1CCCO1 ZINC000229672423 387191762 /nfs/dbraw/zinc/19/17/62/387191762.db2.gz HNJYKPBRQFPDQY-VXGBXAGGSA-N 1 0 224.348 2.473 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2cccc3nccn32)C1 ZINC000571909404 387192028 /nfs/dbraw/zinc/19/20/28/387192028.db2.gz GYILGLRPGJPALK-NEPJUHHUSA-N 1 0 240.310 2.116 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccc(COC)cc1 ZINC000321461209 387202703 /nfs/dbraw/zinc/20/27/03/387202703.db2.gz PADPJOJEKPGHGV-HNNXBMFYSA-N 1 0 249.354 2.250 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[NH+]1CCCCC1 ZINC000424598609 387205006 /nfs/dbraw/zinc/20/50/06/387205006.db2.gz VLQZOYPSBUAEDG-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCC[C@H](CC)[NH2+][C@@H]1CNCC[C@@H]1C ZINC000423355451 387205190 /nfs/dbraw/zinc/20/51/90/387205190.db2.gz FNGVNAAPKFGTKD-RWMBFGLXSA-N 1 0 210.365 2.319 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CNCC[C@@H]1C ZINC000423357521 387207669 /nfs/dbraw/zinc/20/76/69/387207669.db2.gz IFANLGGGRRHUIM-CYDGBPFRSA-N 1 0 210.365 2.175 20 30 BEEDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404535502 387208922 /nfs/dbraw/zinc/20/89/22/387208922.db2.gz CGNUYDWWEJZTQL-UWVGGRQHSA-N 1 0 236.290 2.210 20 30 BEEDRO CC[N@H+](CCC(=O)OC)CC(C)(C)CCC#N ZINC000092380310 387211118 /nfs/dbraw/zinc/21/11/18/387211118.db2.gz PPKPVPHDUOHYCM-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000187919816 387220469 /nfs/dbraw/zinc/22/04/69/387220469.db2.gz RRWCKGPTPNRNJR-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000424645142 387233066 /nfs/dbraw/zinc/23/30/66/387233066.db2.gz OKJOVPIFTOFGKG-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C[C@@H](C[NH+]1CCCCC1)Nc1cccnc1C#N ZINC000129925796 387240855 /nfs/dbraw/zinc/24/08/55/387240855.db2.gz NHBGYJQCYBUJPB-LBPRGKRZSA-N 1 0 244.342 2.240 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CN[C@H]1CCC[C@@H](C#N)C1 ZINC000423380143 387261871 /nfs/dbraw/zinc/26/18/71/387261871.db2.gz GZHCSFXFKPCCHP-HZSPNIEDSA-N 1 0 249.402 2.437 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1nc(C)ccc1C#N ZINC000160554928 387264726 /nfs/dbraw/zinc/26/47/26/387264726.db2.gz RCZSNICLOPLODM-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCO)c1ccco1 ZINC000285569037 387273055 /nfs/dbraw/zinc/27/30/55/387273055.db2.gz HUZGBPGECIJNSZ-NSHDSACASA-N 1 0 209.289 2.259 20 30 BEEDRO C=C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000643499180 387281529 /nfs/dbraw/zinc/28/15/29/387281529.db2.gz FKBNASHLBFIVES-WCQYABFASA-N 1 0 246.354 2.403 20 30 BEEDRO C=C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000643499178 387282940 /nfs/dbraw/zinc/28/29/40/387282940.db2.gz FKBNASHLBFIVES-AAEUAGOBSA-N 1 0 246.354 2.403 20 30 BEEDRO C=CCC[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccco1 ZINC000423433703 387283083 /nfs/dbraw/zinc/28/30/83/387283083.db2.gz NKNOKYLXBTYJQN-CZXHOFHRSA-N 1 0 232.327 2.094 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000232455054 387292084 /nfs/dbraw/zinc/29/20/84/387292084.db2.gz ZYTSGZWOUOVUSK-CVEARBPZSA-N 1 0 241.334 2.195 20 30 BEEDRO C(#Cc1ccccc1)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000232455039 387292095 /nfs/dbraw/zinc/29/20/95/387292095.db2.gz ZYTSGZWOUOVUSK-HZPDHXFCSA-N 1 0 241.334 2.195 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000514840126 387302342 /nfs/dbraw/zinc/30/23/42/387302342.db2.gz NAJDYVIVHWNTCO-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO CC[C@H](CC#N)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000248853789 387355808 /nfs/dbraw/zinc/35/58/08/387355808.db2.gz PCJJVCWALXSBOW-UTUOFQBUSA-N 1 0 205.305 2.351 20 30 BEEDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191237538 387356266 /nfs/dbraw/zinc/35/62/66/387356266.db2.gz ZDUFDYJIEFYLEO-JTQLQIEISA-N 1 0 217.316 2.127 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C1COCCOC1 ZINC000648592916 387362936 /nfs/dbraw/zinc/36/29/36/387362936.db2.gz DOIYNDSVGMAZNF-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)C2CCCCC2)C1 ZINC000514989908 387320971 /nfs/dbraw/zinc/32/09/71/387320971.db2.gz VCWFPPFYOQOIFA-XBFCOCLRSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]Cc1nnnn1C1CC1 ZINC000648465112 387352529 /nfs/dbraw/zinc/35/25/29/387352529.db2.gz VPBBUEAWIHQBFC-LLVKDONJSA-N 1 0 249.362 2.233 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCC[C@@H]1O ZINC000352661761 387426901 /nfs/dbraw/zinc/42/69/01/387426901.db2.gz UZAMJOYHQSAXBO-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CCC[N@@H+](CCOC)CCc1ccccc1 ZINC000270582688 387433007 /nfs/dbraw/zinc/43/30/07/387433007.db2.gz IZUVYDQHZXXWBC-UHFFFAOYSA-N 1 0 231.339 2.201 20 30 BEEDRO C=CCOc1cccc(C[N@H+]2CC[C@H](OC)C2)c1 ZINC000271182985 387440256 /nfs/dbraw/zinc/44/02/56/387440256.db2.gz LSQOMMKQSCYHFK-HNNXBMFYSA-N 1 0 247.338 2.472 20 30 BEEDRO C#CCC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000271538850 387445808 /nfs/dbraw/zinc/44/58/08/387445808.db2.gz YODFYAOPQXNZEH-AWEZNQCLSA-N 1 0 231.339 2.283 20 30 BEEDRO C=CCCC(=O)NC[C@H]([NH3+])c1ccccc1CC ZINC000423938778 387455762 /nfs/dbraw/zinc/45/57/62/387455762.db2.gz KAMXQPHFBYZKKF-AWEZNQCLSA-N 1 0 246.354 2.331 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000266924505 387407862 /nfs/dbraw/zinc/40/78/62/387407862.db2.gz MXQWDNKKLDIZSX-UHFFFAOYSA-N 1 0 218.256 2.050 20 30 BEEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000267345411 387409275 /nfs/dbraw/zinc/40/92/75/387409275.db2.gz DKHGEGBLFYFMAA-AWEZNQCLSA-N 1 0 249.741 2.412 20 30 BEEDRO C[N@H+](CC#Cc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000267345414 387410515 /nfs/dbraw/zinc/41/05/15/387410515.db2.gz DKHGEGBLFYFMAA-CQSZACIVSA-N 1 0 249.741 2.412 20 30 BEEDRO C=CCCCC(=O)Nc1ccnc(N(C)C)c1 ZINC000267272634 387411285 /nfs/dbraw/zinc/41/12/85/387411285.db2.gz SUBBAOKXMMJVAJ-UHFFFAOYSA-N 1 0 233.315 2.442 20 30 BEEDRO COC[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1 ZINC000269602960 387421917 /nfs/dbraw/zinc/42/19/17/387421917.db2.gz NFPVPACZARVVTH-CQSZACIVSA-N 1 0 247.313 2.146 20 30 BEEDRO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000346128107 387500791 /nfs/dbraw/zinc/50/07/91/387500791.db2.gz JAIHGUCVTKXHSS-UWVGGRQHSA-N 1 0 236.290 2.383 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375464485 387543167 /nfs/dbraw/zinc/54/31/67/387543167.db2.gz JJHFKEZOOORYPV-NSHDSACASA-N 1 0 233.315 2.312 20 30 BEEDRO C[C@@H]1C[N@H+](CCOc2ccccc2C#N)[C@H]1C ZINC000293464153 387513184 /nfs/dbraw/zinc/51/31/84/387513184.db2.gz QKFNIXNMPMCTEF-NEPJUHHUSA-N 1 0 230.311 2.277 20 30 BEEDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000352892077 387514999 /nfs/dbraw/zinc/51/49/99/387514999.db2.gz JKFKJCKHIZOWDU-CQSZACIVSA-N 1 0 232.327 2.055 20 30 BEEDRO CC(C)[C@](C)(CO)[NH2+]Cc1cccc(C#N)c1 ZINC000352892184 387517261 /nfs/dbraw/zinc/51/72/61/387517261.db2.gz JYWSAGKJBXYBTJ-AWEZNQCLSA-N 1 0 232.327 2.055 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000527191509 387524686 /nfs/dbraw/zinc/52/46/86/387524686.db2.gz ADUMPSROUPFHKA-OCCSQVGLSA-N 1 0 238.375 2.047 20 30 BEEDRO CCOCCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000192697883 387526777 /nfs/dbraw/zinc/52/67/77/387526777.db2.gz RUJFCHUNYZWEOK-CHWSQXEVSA-N 1 0 224.348 2.475 20 30 BEEDRO C=C(CC)C[N@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000425924967 387534112 /nfs/dbraw/zinc/53/41/12/387534112.db2.gz UQLOZYYJZLYQEJ-QWHCGFSZSA-N 1 0 211.349 2.436 20 30 BEEDRO COCCCCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000192780566 387534214 /nfs/dbraw/zinc/53/42/14/387534214.db2.gz PDQIPGKAKCQPPK-STQMWFEESA-N 1 0 224.348 2.475 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CCc1ccccc1)C1CC1 ZINC000274250972 387466705 /nfs/dbraw/zinc/46/67/05/387466705.db2.gz ZPCMJJNTUXCMLZ-INIZCTEOSA-N 1 0 243.350 2.078 20 30 BEEDRO Cn1cc(C[N@@H+]2CCCC3(CC3)C2)cc1C#N ZINC000191504355 387474628 /nfs/dbraw/zinc/47/46/28/387474628.db2.gz GRQOYRDSEDAWBN-UHFFFAOYSA-N 1 0 229.327 2.273 20 30 BEEDRO Cc1cc(F)ccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424076435 387478020 /nfs/dbraw/zinc/47/80/20/387478020.db2.gz LUEGFUCZOOVJHO-NSHDSACASA-N 1 0 249.289 2.094 20 30 BEEDRO Cc1cccc(C)c1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424075057 387478132 /nfs/dbraw/zinc/47/81/32/387478132.db2.gz IOCFCOOVQFPHBT-GFCCVEGCSA-N 1 0 245.326 2.263 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CCNC1CC1 ZINC000643507688 387478941 /nfs/dbraw/zinc/47/89/41/387478941.db2.gz MSJQPUTWNJTZPR-GFCCVEGCSA-N 1 0 210.365 2.463 20 30 BEEDRO CC(C)[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528400110 387594255 /nfs/dbraw/zinc/59/42/55/387594255.db2.gz KCWPTCDWVLMOSJ-QWHCGFSZSA-N 1 0 236.359 2.019 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430275228 387605271 /nfs/dbraw/zinc/60/52/71/387605271.db2.gz AGLHQYZZYUTOHK-AAEUAGOBSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)NC(C)(C)CC[NH3+] ZINC000422603902 387606047 /nfs/dbraw/zinc/60/60/47/387606047.db2.gz NAAALFNHSRLBEM-NSHDSACASA-N 1 0 241.379 2.158 20 30 BEEDRO CC(C)[NH+](CCNc1ccc(C#N)cn1)C(C)C ZINC000019510537 387550204 /nfs/dbraw/zinc/55/02/04/387550204.db2.gz BDMZLMGJZGQKMF-UHFFFAOYSA-N 1 0 246.358 2.484 20 30 BEEDRO CC#CC[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000279182023 387562015 /nfs/dbraw/zinc/56/20/15/387562015.db2.gz CZVZVAXRBLEWMW-UHFFFAOYSA-N 1 0 244.338 2.257 20 30 BEEDRO C=C(C)C[N@@H+](CCC(=O)NC)Cc1ccccc1 ZINC000279394844 387566141 /nfs/dbraw/zinc/56/61/41/387566141.db2.gz UODHVACCBCBGGY-UHFFFAOYSA-N 1 0 246.354 2.201 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426454951 387568453 /nfs/dbraw/zinc/56/84/53/387568453.db2.gz RELWMCRCICZAEI-ZIAGYGMSSA-N 1 0 248.370 2.061 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426454948 387569609 /nfs/dbraw/zinc/56/96/09/387569609.db2.gz RELWMCRCICZAEI-KBPBESRZSA-N 1 0 248.370 2.061 20 30 BEEDRO C=C(CC)C[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000426528360 387578739 /nfs/dbraw/zinc/57/87/39/387578739.db2.gz ZAKWQJAPVZPIKH-CYBMUJFWSA-N 1 0 211.349 2.437 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000289380794 387579075 /nfs/dbraw/zinc/57/90/75/387579075.db2.gz MMZNRORGPLHVBN-CQSZACIVSA-N 1 0 242.322 2.314 20 30 BEEDRO CCC(CC)(CC)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424134249 387639015 /nfs/dbraw/zinc/63/90/15/387639015.db2.gz YDYNZZUCNFEYSO-LLVKDONJSA-N 1 0 239.363 2.093 20 30 BEEDRO CC[C@@H]([NH2+]CC1(CC#N)CC1)c1cnn(C)c1 ZINC000430740361 387646257 /nfs/dbraw/zinc/64/62/57/387646257.db2.gz KDFNFPSZFGVSSS-GFCCVEGCSA-N 1 0 232.331 2.155 20 30 BEEDRO C[N@H+](CCC(C)(C)C#N)CC1(O)CCCC1 ZINC000125887808 387665359 /nfs/dbraw/zinc/66/53/59/387665359.db2.gz NXVAGWHKKNTWSO-UHFFFAOYSA-N 1 0 224.348 2.163 20 30 BEEDRO C=CCCC[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000451901976 387675462 /nfs/dbraw/zinc/67/54/62/387675462.db2.gz HHKGDSPTXYLNSZ-VHSXEESVSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@](CO)(COC)C1 ZINC000451939340 387683247 /nfs/dbraw/zinc/68/32/47/387683247.db2.gz WGUDSFBMMPSBPE-AWEZNQCLSA-N 1 0 241.375 2.064 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000452123490 387748236 /nfs/dbraw/zinc/74/82/36/387748236.db2.gz PSWDJQMTKNPJJD-LBPRGKRZSA-N 1 0 224.348 2.021 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000441363775 387749292 /nfs/dbraw/zinc/74/92/92/387749292.db2.gz YGLCSSBDKDTLHR-QWHCGFSZSA-N 1 0 227.348 2.078 20 30 BEEDRO N#CCCCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440810010 387705265 /nfs/dbraw/zinc/70/52/65/387705265.db2.gz VALHAAIXNMIWOT-UHFFFAOYSA-N 1 0 246.236 2.212 20 30 BEEDRO C=CCOCCC[N@H+]1CCCC[C@@H]1COC ZINC000452047197 387714590 /nfs/dbraw/zinc/71/45/90/387714590.db2.gz ZNMJXLWCMUZYJM-CYBMUJFWSA-N 1 0 227.348 2.080 20 30 BEEDRO CS[C@@H]1CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000294155574 387770285 /nfs/dbraw/zinc/77/02/85/387770285.db2.gz ALZRDWGYYHLTEL-CYBMUJFWSA-N 1 0 232.352 2.496 20 30 BEEDRO COC[C@]1(C)CC[N@H+](Cc2cccc(C#N)c2)C1 ZINC000294163974 387772225 /nfs/dbraw/zinc/77/22/25/387772225.db2.gz IPOCPCJAPXRRAO-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](Cc1ccccc1)[C@H](C)N ZINC000422983295 387792974 /nfs/dbraw/zinc/79/29/74/387792974.db2.gz SQUUCXRQVCNORW-KCQAQPDRSA-N 1 0 232.371 2.499 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CCc2ccc(C#N)cc21)N(C)C ZINC000353426418 387793970 /nfs/dbraw/zinc/79/39/70/387793970.db2.gz MIIJVJWNEPWVPG-ABAIWWIYSA-N 1 0 243.354 2.085 20 30 BEEDRO C[C@@H](C[NH2+][C@@H]1CCc2ccc(C#N)cc21)N(C)C ZINC000353426421 387794085 /nfs/dbraw/zinc/79/40/85/387794085.db2.gz MIIJVJWNEPWVPG-XHDPSFHLSA-N 1 0 243.354 2.085 20 30 BEEDRO CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000193560203 387794910 /nfs/dbraw/zinc/79/49/10/387794910.db2.gz PROZCFLPRZIALH-TUAOUCFPSA-N 1 0 207.321 2.454 20 30 BEEDRO CC[C@H](C)[C@H](C)[NH2+]C[C@H](C#N)CCC#N ZINC000193560226 387795061 /nfs/dbraw/zinc/79/50/61/387795061.db2.gz PROZCFLPRZIALH-SRVKXCTJSA-N 1 0 207.321 2.454 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000528001149 387808534 /nfs/dbraw/zinc/80/85/34/387808534.db2.gz LPOWCSVSZZBKTP-NFAWXSAZSA-N 1 0 247.386 2.285 20 30 BEEDRO Cc1cc(C)n(CCC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000442632564 387810006 /nfs/dbraw/zinc/81/00/06/387810006.db2.gz DNPLUWMIVDWDDJ-ZIAGYGMSSA-N 1 0 246.358 2.172 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1C[C@@H](CO)CC[C@H]1C ZINC001172492392 974839782 /nfs/dbraw/zinc/83/97/82/974839782.db2.gz KVVXAOIMHFWJAR-UPJWGTAASA-N 1 0 224.348 2.162 20 30 BEEDRO C=CCN1CCC([NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527859236 387760268 /nfs/dbraw/zinc/76/02/68/387760268.db2.gz ODUQMDIFAPRHQS-TZMCWYRMSA-N 1 0 234.387 2.415 20 30 BEEDRO CC(C)C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N(C)C ZINC000442711245 387827277 /nfs/dbraw/zinc/82/72/77/387827277.db2.gz DTIZFPHBACOCTK-HZSPNIEDSA-N 1 0 237.391 2.245 20 30 BEEDRO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCc2ccc(C#N)cc21 ZINC000353677920 387827426 /nfs/dbraw/zinc/82/74/26/387827426.db2.gz MGXBVRPJFYJGRS-JRPNMDOOSA-N 1 0 244.338 2.295 20 30 BEEDRO C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccc(C#N)cc1 ZINC000353655556 387827581 /nfs/dbraw/zinc/82/75/81/387827581.db2.gz GXQVDXAWTOLLNB-LLVKDONJSA-N 1 0 240.310 2.175 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000442773386 387836711 /nfs/dbraw/zinc/83/67/11/387836711.db2.gz CMYINOYPEUNKIB-DZGCQCFKSA-N 1 0 247.386 2.309 20 30 BEEDRO CCN1CCCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442775673 387836750 /nfs/dbraw/zinc/83/67/50/387836750.db2.gz AXZLCLWFKJNRQO-MGPQQGTHSA-N 1 0 235.375 2.143 20 30 BEEDRO C=C(C)CN1CCC([NH2+][C@H]2CC[C@@H](C#N)C2)CC1 ZINC000442773388 387837774 /nfs/dbraw/zinc/83/77/74/387837774.db2.gz CMYINOYPEUNKIB-HIFRSBDPSA-N 1 0 247.386 2.309 20 30 BEEDRO Cc1noc(C)c1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442777946 387837855 /nfs/dbraw/zinc/83/78/55/387837855.db2.gz AONJQOCJEJLNQC-RYUDHWBXSA-N 1 0 233.315 2.116 20 30 BEEDRO C[C@@H](CN1CCC[C@@H](C)C1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442782956 387838875 /nfs/dbraw/zinc/83/88/75/387838875.db2.gz PEPPMYLQEMKHJI-LXTVHRRPSA-N 1 0 249.402 2.389 20 30 BEEDRO CC1(C)OCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000295173010 387839400 /nfs/dbraw/zinc/83/94/00/387839400.db2.gz GXGRGHQLSQSYQX-CYBMUJFWSA-N 1 0 248.301 2.354 20 30 BEEDRO CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000442785947 387840053 /nfs/dbraw/zinc/84/00/53/387840053.db2.gz WLTPOTHJAAPORC-RBSFLKMASA-N 1 0 249.402 2.389 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000442788539 387840648 /nfs/dbraw/zinc/84/06/48/387840648.db2.gz CCLCIEDHCKUBJK-BNOWGMLFSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(CO)c(F)c2)C1 ZINC000442796890 387841323 /nfs/dbraw/zinc/84/13/23/387841323.db2.gz WJEUMWRKAVNEBZ-MFKMUULPSA-N 1 0 248.301 2.100 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000442792972 387842128 /nfs/dbraw/zinc/84/21/28/387842128.db2.gz AILOPUUSGWVHHE-MBNYWOFBSA-N 1 0 238.375 2.140 20 30 BEEDRO C=C(CN[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1 ZINC000423033470 387849346 /nfs/dbraw/zinc/84/93/46/387849346.db2.gz WWZUFFJRBGYTDH-UONOGXRCSA-N 1 0 216.328 2.169 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442857795 387851410 /nfs/dbraw/zinc/85/14/10/387851410.db2.gz NZIRKLYLTGXKTL-DGAVXFQQSA-N 1 0 234.343 2.249 20 30 BEEDRO CCOC1CC(CC[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000442861365 387852895 /nfs/dbraw/zinc/85/28/95/387852895.db2.gz XUKZAIBUOJIGOE-DKNRTOFZSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCC[C@H](C)[NH2+]Cc1cccn(CC)c1=O ZINC000433064094 387860213 /nfs/dbraw/zinc/86/02/13/387860213.db2.gz VUDDCEROWCDSSY-LBPRGKRZSA-N 1 0 234.343 2.313 20 30 BEEDRO C=CCn1cc(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000424170703 387861152 /nfs/dbraw/zinc/86/11/52/387861152.db2.gz KARPVKCYGXFFNV-RYUDHWBXSA-N 1 0 248.374 2.378 20 30 BEEDRO C=C(CC)C[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433081955 387862875 /nfs/dbraw/zinc/86/28/75/387862875.db2.gz JASRSOWCCKUHJN-OAHLLOKOSA-N 1 0 233.355 2.488 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194061416 387870466 /nfs/dbraw/zinc/87/04/66/387870466.db2.gz WGGHJDGVTQTYCU-MGPQQGTHSA-N 1 0 233.355 2.337 20 30 BEEDRO CC1(C)OCC[C@@H]1[NH2+]Cc1ccc(C#N)s1 ZINC000294709265 387817905 /nfs/dbraw/zinc/81/79/05/387817905.db2.gz DNMMTDBJDHJEHQ-NSHDSACASA-N 1 0 236.340 2.277 20 30 BEEDRO C=C(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000153387437 387891144 /nfs/dbraw/zinc/89/11/44/387891144.db2.gz QSZDTWQGRYRHPI-UHFFFAOYSA-N 1 0 203.285 2.287 20 30 BEEDRO C=C1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000444624783 387893260 /nfs/dbraw/zinc/89/32/60/387893260.db2.gz MRZBAEVSWNBYNP-CYBMUJFWSA-N 1 0 225.332 2.182 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000643537204 387875791 /nfs/dbraw/zinc/87/57/91/387875791.db2.gz AWLRPJUVMGMOOS-SRVKXCTJSA-N 1 0 214.328 2.021 20 30 BEEDRO C[NH+](C)C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000036192119 387876145 /nfs/dbraw/zinc/87/61/45/387876145.db2.gz IHZISEQZBJPHJY-UHFFFAOYSA-N 1 0 243.354 2.084 20 30 BEEDRO C=CCCC[NH2+][C@@H](C)c1cnccc1N ZINC000423083399 387878694 /nfs/dbraw/zinc/87/86/94/387878694.db2.gz FZFYLYHMLXWHJA-JTQLQIEISA-N 1 0 205.305 2.111 20 30 BEEDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528346150 387904128 /nfs/dbraw/zinc/90/41/28/387904128.db2.gz USWGFGPTXOVVOH-OLZOCXBDSA-N 1 0 236.359 2.163 20 30 BEEDRO C=CC[N@H+](CCO[C@@H]1CCCCO1)C1CC1 ZINC000444687411 387908542 /nfs/dbraw/zinc/90/85/42/387908542.db2.gz VAGWSVXSMSUYCQ-CYBMUJFWSA-N 1 0 225.332 2.180 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)CCCC ZINC000328123209 387908545 /nfs/dbraw/zinc/90/85/45/387908545.db2.gz RVNUVUQHQUFENG-CYBMUJFWSA-N 1 0 210.365 2.110 20 30 BEEDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000424188360 387909363 /nfs/dbraw/zinc/90/93/63/387909363.db2.gz BXZDLCZOMFYITL-CRWXNKLISA-N 1 0 236.359 2.472 20 30 BEEDRO C=CC(C)(C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000452771564 387912126 /nfs/dbraw/zinc/91/21/26/387912126.db2.gz ADOWKXHQHDQQIQ-LLVKDONJSA-N 1 0 240.391 2.482 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c(F)c1 ZINC000269869675 387936000 /nfs/dbraw/zinc/93/60/00/387936000.db2.gz MNLUCGFRWOWVPC-JOCQHMNTSA-N 1 0 248.301 2.090 20 30 BEEDRO CC#CCCCC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000185040041 387953142 /nfs/dbraw/zinc/95/31/42/387953142.db2.gz HRWFOKGCIOSDLK-CYBMUJFWSA-N 1 0 238.375 2.027 20 30 BEEDRO C=C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645801016 387939847 /nfs/dbraw/zinc/93/98/47/387939847.db2.gz HGMBYCFGOSBTQS-ZDUSSCGKSA-N 1 0 209.333 2.455 20 30 BEEDRO C[C@H](CCCC#N)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC001172492147 974839907 /nfs/dbraw/zinc/83/99/07/974839907.db2.gz JBAQGTOHYBRKBY-GHMZBOCLSA-N 1 0 246.301 2.018 20 30 BEEDRO CC[C@H](NCC(C)(C)CC#N)[C@@H]1CCC[NH2+]1 ZINC000423172622 387958926 /nfs/dbraw/zinc/95/89/26/387958926.db2.gz UJXORNNBMQAKKH-RYUDHWBXSA-N 1 0 223.364 2.046 20 30 BEEDRO C=CCn1cc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)nn1 ZINC000424301001 387959905 /nfs/dbraw/zinc/95/99/05/387959905.db2.gz YZMHSHNDLSIVRM-UONOGXRCSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1nccc(OC)n1)C1CC1 ZINC000424306647 387963986 /nfs/dbraw/zinc/96/39/86/387963986.db2.gz IZSFTVZGBJIZDQ-GFCCVEGCSA-N 1 0 247.342 2.320 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000424316715 387967366 /nfs/dbraw/zinc/96/73/66/387967366.db2.gz BETCVLGFWHLYHT-RNJOBUHISA-N 1 0 217.316 2.351 20 30 BEEDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1(C)C ZINC000424317255 387967715 /nfs/dbraw/zinc/96/77/15/387967715.db2.gz BOQBQJSZWUYHOY-UMSGYPCISA-N 1 0 236.359 2.472 20 30 BEEDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)c1ccn(C)n1 ZINC000424315697 387967781 /nfs/dbraw/zinc/96/77/81/387967781.db2.gz AJSLRXLNDNRLCF-QJPTWQEYSA-N 1 0 232.331 2.153 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C1CCOCC1 ZINC000424320203 387969546 /nfs/dbraw/zinc/96/95/46/387969546.db2.gz FSZCPVHORIXFOK-NTZNESFSSA-N 1 0 222.332 2.083 20 30 BEEDRO CCn1ccnc1[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424320677 387969761 /nfs/dbraw/zinc/96/97/61/387969761.db2.gz GEGLDZBGGNUGGG-GRYCIOLGSA-N 1 0 232.331 2.246 20 30 BEEDRO COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424333049 387977408 /nfs/dbraw/zinc/97/74/08/387977408.db2.gz UEAQAFDXLRZFKS-REWJHTLYSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCCC[C@H](C)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000439274309 387990491 /nfs/dbraw/zinc/99/04/91/387990491.db2.gz OQZGPFDJFMXKPP-MJBXVCDLSA-N 1 0 241.375 2.467 20 30 BEEDRO C#CCCC[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000245892897 387991330 /nfs/dbraw/zinc/99/13/30/387991330.db2.gz MNPXLQSQRMOBMS-JHJVBQTASA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@H](CC)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424350545 387985352 /nfs/dbraw/zinc/98/53/52/387985352.db2.gz ONXDZHRFVGWSBK-CXQJBGSLSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCCCCCN(C)C(=O)CC1(C[NH3+])CC1 ZINC000423199244 387986494 /nfs/dbraw/zinc/98/64/94/387986494.db2.gz BAUAXVMTGSVXLR-UHFFFAOYSA-N 1 0 238.375 2.320 20 30 BEEDRO CC#CC[NH2+][C@H](C)CCCc1cccnc1 ZINC000453185540 388005184 /nfs/dbraw/zinc/00/51/84/388005184.db2.gz VIWMOQRVZXDKPH-CYBMUJFWSA-N 1 0 216.328 2.406 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](C)c1nccn1CC ZINC000453143876 387996330 /nfs/dbraw/zinc/99/63/30/387996330.db2.gz JPXKYQNCOBCWGW-LBPRGKRZSA-N 1 0 237.347 2.146 20 30 BEEDRO C[C@H]1CC[N@H+](CCCC#N)C[C@H]1n1ccnc1 ZINC000246306618 388030615 /nfs/dbraw/zinc/03/06/15/388030615.db2.gz QGQGXFQNKHMABN-QWHCGFSZSA-N 1 0 232.331 2.070 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cncc(C)c1 ZINC000453335931 388050987 /nfs/dbraw/zinc/05/09/87/388050987.db2.gz AOHLTHHJUSMCKB-JSGCOSHPSA-N 1 0 234.343 2.368 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1C[C@H](OCC)C1(C)C ZINC000453340745 388051888 /nfs/dbraw/zinc/05/18/88/388051888.db2.gz CIPNXFOQAFAZJF-VOAKCMCISA-N 1 0 239.359 2.123 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1nccs1 ZINC000453345590 388053841 /nfs/dbraw/zinc/05/38/41/388053841.db2.gz GDJQTAYJKDDSJS-AEJSXWLSSA-N 1 0 224.329 2.137 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC[C@H]1C ZINC000453351130 388055241 /nfs/dbraw/zinc/05/52/41/388055241.db2.gz JEGQXAUNYPPBHE-LPWJVIDDSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(F)cn1 ZINC000453355369 388056590 /nfs/dbraw/zinc/05/65/90/388056590.db2.gz LILLNUNWJAAUCQ-WQAKAFBOSA-N 1 0 236.290 2.215 20 30 BEEDRO C=C(CC)C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000453355603 388057190 /nfs/dbraw/zinc/05/71/90/388057190.db2.gz KGLQFGMFVOQOJY-LBPRGKRZSA-N 1 0 219.332 2.427 20 30 BEEDRO C=C(CC)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000453362086 388060141 /nfs/dbraw/zinc/06/01/41/388060141.db2.gz NHQRGPCOTREXFE-LBPRGKRZSA-N 1 0 219.332 2.353 20 30 BEEDRO C=CCC[N@@H+](C)CCC(=O)Nc1ccc(C)cn1 ZINC000447271224 388060373 /nfs/dbraw/zinc/06/03/73/388060373.db2.gz PJQWSMSRTFEFDN-UHFFFAOYSA-N 1 0 247.342 2.227 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000453371731 388062319 /nfs/dbraw/zinc/06/23/19/388062319.db2.gz UUJTXQWKCQJAOA-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CCC[C@H](O)C[N@H+](CC1CC1)C(C)C ZINC000533358023 388062552 /nfs/dbraw/zinc/06/25/52/388062552.db2.gz GTGVLGHOTBQAFY-ZDUSSCGKSA-N 1 0 211.349 2.434 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1cccnc1 ZINC000453371105 388062783 /nfs/dbraw/zinc/06/27/83/388062783.db2.gz VJHOEYYJCKWYAO-YUTCNCBUSA-N 1 0 232.327 2.466 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccncc1F ZINC000453379823 388064910 /nfs/dbraw/zinc/06/49/10/388064910.db2.gz ZNDBXYNEPIRSRC-BIMULSAOSA-N 1 0 236.290 2.215 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000453399759 388072246 /nfs/dbraw/zinc/07/22/46/388072246.db2.gz LHCRWAPPPJWCBL-GXTWGEPZSA-N 1 0 238.375 2.380 20 30 BEEDRO CC#CCC[N@H+]1CCCC[C@H]1COCC ZINC000453411608 388076848 /nfs/dbraw/zinc/07/68/48/388076848.db2.gz AGPJVCLKUKELNA-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000447564598 388078626 /nfs/dbraw/zinc/07/86/26/388078626.db2.gz YBVOWPORFDQJFU-FQUUOJAGSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2occc21 ZINC000447586207 388080603 /nfs/dbraw/zinc/08/06/03/388080603.db2.gz MTQRDKXHOGAMTQ-AAEUAGOBSA-N 1 0 235.327 2.431 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]Cc1sccc1C ZINC000336660325 388091844 /nfs/dbraw/zinc/09/18/44/388091844.db2.gz BVHSWJWLADWVOC-NSHDSACASA-N 1 0 225.357 2.331 20 30 BEEDRO C=CCCCNc1ccnc(N2CCCCC2)n1 ZINC000447813183 388093701 /nfs/dbraw/zinc/09/37/01/388093701.db2.gz QANQDKKNZJNZPN-UHFFFAOYSA-N 1 0 246.358 2.267 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000447871809 388098962 /nfs/dbraw/zinc/09/89/62/388098962.db2.gz MICHTWHUHJBKAH-NWDGAFQWSA-N 1 0 211.349 2.434 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000163915997 388099326 /nfs/dbraw/zinc/09/93/26/388099326.db2.gz FDAYEFGWJNCQQT-JTQLQIEISA-N 1 0 246.310 2.244 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](CC)c1ccn(C)n1 ZINC000453336970 388050505 /nfs/dbraw/zinc/05/05/05/388050505.db2.gz GEOJLHKBEMKBNP-BNOWGMLFSA-N 1 0 249.358 2.194 20 30 BEEDRO CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(C#N)cc1F ZINC000423272208 388050719 /nfs/dbraw/zinc/05/07/19/388050719.db2.gz JPYSHYKLPZSZSV-HZMBPMFUSA-N 1 0 249.333 2.331 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1csc(C)c1 ZINC000449207313 388157487 /nfs/dbraw/zinc/15/74/87/388157487.db2.gz QVABUOBWDQJZAV-LLVKDONJSA-N 1 0 225.357 2.331 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]CC(=O)N(C)CC ZINC000449255570 388163261 /nfs/dbraw/zinc/16/32/61/388163261.db2.gz FGVNDHVVIXWIIR-GFCCVEGCSA-N 1 0 226.364 2.189 20 30 BEEDRO CC(C)[C@H](CO)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449321914 388172232 /nfs/dbraw/zinc/17/22/32/388172232.db2.gz VEKMOQQIPVTNHU-HSBZDZAISA-N 1 0 238.375 2.313 20 30 BEEDRO C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C#N)c2)C1 ZINC000249399898 388119374 /nfs/dbraw/zinc/11/93/74/388119374.db2.gz UUWPFPTVVKNILC-SLEUVZQESA-N 1 0 244.338 2.322 20 30 BEEDRO C=CC[C@H](C)NC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000454537506 388122154 /nfs/dbraw/zinc/12/21/54/388122154.db2.gz WSMIDQPSGPNHGP-GARJFASQSA-N 1 0 248.330 2.153 20 30 BEEDRO C=CC(C)(C)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000448972975 388124349 /nfs/dbraw/zinc/12/43/49/388124349.db2.gz WZXIRHRTOPRAPY-GFCCVEGCSA-N 1 0 240.391 2.291 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249543811 388130397 /nfs/dbraw/zinc/13/03/97/388130397.db2.gz FSMZDFOKKJFXSI-TYNCELHUSA-N 1 0 244.338 2.322 20 30 BEEDRO CC[C@@](C)(O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000449078125 388140081 /nfs/dbraw/zinc/14/00/81/388140081.db2.gz ZWOAPHLDNQKVKK-WXRRBKDZSA-N 1 0 224.348 2.209 20 30 BEEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCSC1 ZINC000037174847 388186682 /nfs/dbraw/zinc/18/66/82/388186682.db2.gz SLHKJNWDSQRYTF-CYBMUJFWSA-N 1 0 232.352 2.496 20 30 BEEDRO CC(C)C[C@H](CO)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449095254 388141587 /nfs/dbraw/zinc/14/15/87/388141587.db2.gz XIQNSOWVVVFAOR-ROKHWSDSSA-N 1 0 238.375 2.455 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H](C)OC2(CCC2)C1 ZINC000646116588 388145589 /nfs/dbraw/zinc/14/55/89/388145589.db2.gz QPSPIJWARZXTMZ-CHWSQXEVSA-N 1 0 221.344 2.432 20 30 BEEDRO C[C@@H]([NH2+]C1CCC(C)(C#N)CC1)[C@H](C)CO ZINC000449160581 388150303 /nfs/dbraw/zinc/15/03/03/388150303.db2.gz BRJGCWGSHYWQTK-OKZRHMCRSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](CO)[C@H](C)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449160580 388150525 /nfs/dbraw/zinc/15/05/25/388150525.db2.gz BRJGCWGSHYWQTK-IALDZJHCSA-N 1 0 224.348 2.065 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc2cccnc2o1 ZINC000449185051 388154912 /nfs/dbraw/zinc/15/49/12/388154912.db2.gz FRROQBUUASEXEN-VIFPVBQESA-N 1 0 202.257 2.492 20 30 BEEDRO C#CC[N@@H+](CCC1(O)CC1)Cc1ccc(F)cc1 ZINC000490714135 388248702 /nfs/dbraw/zinc/24/87/02/388248702.db2.gz NLVLUYNETQXAJF-UHFFFAOYSA-N 1 0 247.313 2.176 20 30 BEEDRO CC(C)[C@@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000336662405 388260531 /nfs/dbraw/zinc/26/05/31/388260531.db2.gz KGNGFZHWKJGQTK-GFCCVEGCSA-N 1 0 226.364 2.170 20 30 BEEDRO C#CC[N@H+](CC#CC)CCCc1ccc(C)nc1 ZINC000490740474 388251934 /nfs/dbraw/zinc/25/19/34/388251934.db2.gz OZNUZFAWCLJVGT-UHFFFAOYSA-N 1 0 240.350 2.281 20 30 BEEDRO CC(C)[C@H](CO)C[NH2+]CC(C)(C)CCC#N ZINC000336662409 388260806 /nfs/dbraw/zinc/26/08/06/388260806.db2.gz KGNGFZHWKJGQTK-LBPRGKRZSA-N 1 0 226.364 2.170 20 30 BEEDRO C#CC[NH+]1CCC(C(=O)OC(CC)CC)CC1 ZINC000490853973 388255950 /nfs/dbraw/zinc/25/59/50/388255950.db2.gz WVPYLPCGYKKJRL-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000167713589 388256559 /nfs/dbraw/zinc/25/65/59/388256559.db2.gz JSNUHBWRNNOODY-LPWJVIDDSA-N 1 0 211.349 2.480 20 30 BEEDRO C=CCCCC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000456523740 388205967 /nfs/dbraw/zinc/20/59/67/388205967.db2.gz FUUGCDQFXFKZFH-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C#CCN(CC)Cc1cnc(C2CC2)s1 ZINC000490897575 388259015 /nfs/dbraw/zinc/25/90/15/388259015.db2.gz COPBHTCVBKSTII-UHFFFAOYSA-N 1 0 220.341 2.476 20 30 BEEDRO C=C[C@H]1CCCC[N@@H+]1CCOCC1CC1 ZINC000489408260 388210629 /nfs/dbraw/zinc/21/06/29/388210629.db2.gz RCDOJFPCTWHZPE-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO C=C(C)CC[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000449471649 388212438 /nfs/dbraw/zinc/21/24/38/388212438.db2.gz CXYDUKOCYQZIJW-UHFFFAOYSA-N 1 0 230.315 2.322 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@@H]1C=C ZINC000489430814 388213709 /nfs/dbraw/zinc/21/37/09/388213709.db2.gz DNOASSCBUOPWGX-AWEZNQCLSA-N 1 0 248.370 2.228 20 30 BEEDRO C=CCCC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000456683614 388214755 /nfs/dbraw/zinc/21/47/55/388214755.db2.gz MBMMEINSXGHKAK-UHFFFAOYSA-N 1 0 236.359 2.086 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000449480834 388215574 /nfs/dbraw/zinc/21/55/74/388215574.db2.gz ZYSBWBWIUKIYLR-DGCLKSJQSA-N 1 0 208.349 2.025 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCOCC(F)F ZINC000489496042 388218397 /nfs/dbraw/zinc/21/83/97/388218397.db2.gz XOQWADIUWAQIOG-JTQLQIEISA-N 1 0 219.275 2.309 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCCc1nc(C)no1 ZINC000489498421 388218506 /nfs/dbraw/zinc/21/85/06/388218506.db2.gz QKNRSZUJLCEABN-GFCCVEGCSA-N 1 0 235.331 2.351 20 30 BEEDRO N#CCC[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000517925966 256554644 /nfs/dbraw/zinc/55/46/44/256554644.db2.gz RATKIDKBQUDUJE-UONOGXRCSA-N 1 0 230.311 2.410 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C=C\c1ccncc1 ZINC000449516784 388221700 /nfs/dbraw/zinc/22/17/00/388221700.db2.gz CELQTXINENNKDS-TYHIMRJMSA-N 1 0 230.311 2.028 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000449517284 388222488 /nfs/dbraw/zinc/22/24/88/388222488.db2.gz FBYZIZPJVNIJMS-XQQFMLRXSA-N 1 0 239.359 2.267 20 30 BEEDRO C=C(CC)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000456809137 388222587 /nfs/dbraw/zinc/22/25/87/388222587.db2.gz AOTFVSVWQUURLA-ZDUSSCGKSA-N 1 0 238.375 2.333 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC1(OC)CCC1 ZINC000449517283 388222641 /nfs/dbraw/zinc/22/26/41/388222641.db2.gz FBYZIZPJVNIJMS-UPJWGTAASA-N 1 0 239.359 2.267 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000449518239 388222964 /nfs/dbraw/zinc/22/29/64/388222964.db2.gz IULZTSNDNFTWKN-DGAVXFQQSA-N 1 0 221.344 2.498 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc(C)ccn1 ZINC000449522584 388223284 /nfs/dbraw/zinc/22/32/84/388223284.db2.gz VOFXHSPYNPPWAZ-BZPMIXESSA-N 1 0 232.327 2.384 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1occc1C ZINC000449547617 388228748 /nfs/dbraw/zinc/22/87/48/388228748.db2.gz JCDAOUQKFRBWJW-NEPJUHHUSA-N 1 0 221.300 2.411 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCC[C@H]1C ZINC000449549501 388229513 /nfs/dbraw/zinc/22/95/13/388229513.db2.gz YNWCJMZLABVCDX-XQHKEYJVSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000449547807 388229888 /nfs/dbraw/zinc/22/98/88/388229888.db2.gz JQXDTGXMIRFIPU-OLZOCXBDSA-N 1 0 248.351 2.443 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@H]1C ZINC000449549499 388229893 /nfs/dbraw/zinc/22/98/93/388229893.db2.gz YNWCJMZLABVCDX-LPWJVIDDSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCC[C@@H]1C ZINC000449549498 388229966 /nfs/dbraw/zinc/22/99/66/388229966.db2.gz YNWCJMZLABVCDX-LOWDOPEQSA-N 1 0 209.333 2.498 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000449548450 388229984 /nfs/dbraw/zinc/22/99/84/388229984.db2.gz NIXWSOVUCYAXDS-SYQHCUMBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCC(OC)CC1 ZINC000449547816 388230049 /nfs/dbraw/zinc/23/00/49/388230049.db2.gz JTGLKZGNZXULHQ-PQAZSJQKSA-N 1 0 239.359 2.267 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C1 ZINC000449579063 388237512 /nfs/dbraw/zinc/23/75/12/388237512.db2.gz WLWKYJPJGAOKLY-SYQHCUMBSA-N 1 0 236.359 2.209 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C1 ZINC000449593869 388239720 /nfs/dbraw/zinc/23/97/20/388239720.db2.gz WLWKYJPJGAOKLY-XJFOESAGSA-N 1 0 236.359 2.209 20 30 BEEDRO C#CC[NH+]1CCC(Oc2ccc(OC)cc2)CC1 ZINC000490556192 388240504 /nfs/dbraw/zinc/24/05/04/388240504.db2.gz CLQOWLVKCLABOB-UHFFFAOYSA-N 1 0 245.322 2.172 20 30 BEEDRO C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(C#N)c1 ZINC000037256238 388242680 /nfs/dbraw/zinc/24/26/80/388242680.db2.gz GNZISUDSTZKDOW-GFCCVEGCSA-N 1 0 243.354 2.303 20 30 BEEDRO CCOCC[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037269339 388243800 /nfs/dbraw/zinc/24/38/00/388243800.db2.gz YYYPYYWXMOLUBC-NSHDSACASA-N 1 0 218.300 2.245 20 30 BEEDRO CO[C@@H]([C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1)C1CC1 ZINC000449629847 388246184 /nfs/dbraw/zinc/24/61/84/388246184.db2.gz LJBDJKNAPOAVAK-UKJIMTQDSA-N 1 0 222.332 2.082 20 30 BEEDRO C#CC[NH+](CC#C)[C@H](C)Cc1ccsc1 ZINC000491349687 388287607 /nfs/dbraw/zinc/28/76/07/388287607.db2.gz JPOKFQOSOAYLQJ-GFCCVEGCSA-N 1 0 217.337 2.248 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451650076 388287791 /nfs/dbraw/zinc/28/77/91/388287791.db2.gz UHMAKHJTJBJHNT-QWHCGFSZSA-N 1 0 241.400 2.141 20 30 BEEDRO N#CCCC[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000451646956 388287793 /nfs/dbraw/zinc/28/77/93/388287793.db2.gz LEYPGLOYOVZHLM-LLVKDONJSA-N 1 0 210.346 2.118 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000451650077 388287806 /nfs/dbraw/zinc/28/78/06/388287806.db2.gz UHMAKHJTJBJHNT-STQMWFEESA-N 1 0 241.400 2.141 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000491371189 388288991 /nfs/dbraw/zinc/28/89/91/388288991.db2.gz DBDZJACKNBVIJT-LLVKDONJSA-N 1 0 245.351 2.387 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCOC(C)C ZINC000451669825 388289352 /nfs/dbraw/zinc/28/93/52/388289352.db2.gz AWADSCKCKYQDFX-OLZOCXBDSA-N 1 0 227.348 2.125 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000491374084 388289668 /nfs/dbraw/zinc/28/96/68/388289668.db2.gz PTVYYUYALHUXKL-LOWDOPEQSA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1ccc(OC)cc1 ZINC000491374725 388289883 /nfs/dbraw/zinc/28/98/83/388289883.db2.gz SJPFHWJUJLMXQD-NSHDSACASA-N 1 0 203.285 2.149 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1 ZINC000451701803 388290927 /nfs/dbraw/zinc/29/09/27/388290927.db2.gz RKXSZICPHLKCHW-RDBSUJKOSA-N 1 0 223.360 2.436 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1 ZINC000451720243 388291605 /nfs/dbraw/zinc/29/16/05/388291605.db2.gz XWXJHVSQRFONNF-UPJWGTAASA-N 1 0 209.333 2.045 20 30 BEEDRO C#CC[N@@H+](CCc1ccnn1CC)C1CCCC1 ZINC000491524192 388300952 /nfs/dbraw/zinc/30/09/52/388300952.db2.gz KDNYYGWFDPFLFY-UHFFFAOYSA-N 1 0 245.370 2.323 20 30 BEEDRO C=CC(C)(C)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000451861663 388301968 /nfs/dbraw/zinc/30/19/68/388301968.db2.gz DBFRDGZDKKSMIC-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)C[C@H]1CCO[C@H](CC)C1 ZINC000491546717 388303211 /nfs/dbraw/zinc/30/32/11/388303211.db2.gz WZAJGXWNACEAMA-RWMBFGLXSA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc(NC(C)=O)c1 ZINC000491553896 388303243 /nfs/dbraw/zinc/30/32/43/388303243.db2.gz DOVRWTQVMAHXFO-LLVKDONJSA-N 1 0 230.311 2.099 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000491620899 388305519 /nfs/dbraw/zinc/30/55/19/388305519.db2.gz HPJMWKFXQGVBOW-BJJPWKGXSA-N 1 0 221.344 2.191 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cnc2c(C)cccn12 ZINC000491665268 388309545 /nfs/dbraw/zinc/30/95/45/388309545.db2.gz RRBNSZGIRKORQL-LBPRGKRZSA-N 1 0 227.311 2.144 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1ccc2c[nH]nc2c1 ZINC000491696868 388311955 /nfs/dbraw/zinc/31/19/55/388311955.db2.gz OYKQWIZCNTWZHG-SNVBAGLBSA-N 1 0 213.284 2.016 20 30 BEEDRO C#CC[N@@H+](C)CC1CCC(F)(F)CC1 ZINC000491696014 388312128 /nfs/dbraw/zinc/31/21/28/388312128.db2.gz IKBBCQDQAHCYPG-UHFFFAOYSA-N 1 0 201.260 2.377 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@@H](COC)Cc1ccccc1 ZINC000491701118 388312737 /nfs/dbraw/zinc/31/27/37/388312737.db2.gz DZBLDEPPWGNVQF-LSDHHAIUSA-N 1 0 231.339 2.246 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1COC(C)(C)C1)C(C)(C)C ZINC000491706877 388313452 /nfs/dbraw/zinc/31/34/52/388313452.db2.gz KVFRWMIVKOUJNQ-QWRGUYRKSA-N 1 0 209.333 2.191 20 30 BEEDRO C#C[C@H]1COCCN1C[C@@H]1CCCCC1(F)F ZINC000491711326 388313913 /nfs/dbraw/zinc/31/39/13/388313913.db2.gz WCGDEMJBPYXTLN-RYUDHWBXSA-N 1 0 243.297 2.146 20 30 BEEDRO C#CC[N@@H+](C)CC/C=C\c1cncc(OC)c1 ZINC000491750435 388317731 /nfs/dbraw/zinc/31/77/31/388317731.db2.gz SBSOIDOMDWJMIH-ALCCZGGFSA-N 1 0 230.311 2.059 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CC1Cc2ccccc2C1 ZINC000491770092 388318969 /nfs/dbraw/zinc/31/89/69/388318969.db2.gz OSXOOMCKVSJLPR-LBPRGKRZSA-N 1 0 213.324 2.355 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])NCCCC)c1ccc(F)cc1 ZINC000491783761 388320973 /nfs/dbraw/zinc/32/09/73/388320973.db2.gz RTQWSQSFIJTVEN-CYBMUJFWSA-N 1 0 247.317 2.414 20 30 BEEDRO C#C[C@@H]([NH2+]C[C@H](O)c1ccc(C)cc1)C(C)C ZINC000491790671 388321233 /nfs/dbraw/zinc/32/12/33/388321233.db2.gz ZZPDQOBTWCJDOA-CABCVRRESA-N 1 0 231.339 2.276 20 30 BEEDRO C#CC[N@H+](CCCO[C@H]1CCCCO1)C1CC1 ZINC000491804566 388321954 /nfs/dbraw/zinc/32/19/54/388321954.db2.gz LVRAXYAOCCJYOY-AWEZNQCLSA-N 1 0 237.343 2.017 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1ccnn1-c1ccccc1 ZINC000491806960 388322090 /nfs/dbraw/zinc/32/20/90/388322090.db2.gz RZGCUBZJEGBIFK-CYBMUJFWSA-N 1 0 239.322 2.374 20 30 BEEDRO C=CC(C)(C)C(=O)N(CCC)CCC[NH+](C)C ZINC000451305136 388261445 /nfs/dbraw/zinc/26/14/45/388261445.db2.gz VCXVTNMNAMBBCO-UHFFFAOYSA-N 1 0 240.391 2.389 20 30 BEEDRO C=CCOCCC[N@H+]1CC[C@@H](SC)C1 ZINC000451330184 388263212 /nfs/dbraw/zinc/26/32/12/388263212.db2.gz ZGVGKGGIVKNGHZ-LLVKDONJSA-N 1 0 215.362 2.016 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CCCSCCOC ZINC000491073504 388268047 /nfs/dbraw/zinc/26/80/47/388268047.db2.gz ZZAVLPVKZMAJDR-UHFFFAOYSA-N 1 0 229.389 2.100 20 30 BEEDRO C=CCCC[NH2+]C1(C(=O)N(C)C)CCCCC1 ZINC000451406770 388270131 /nfs/dbraw/zinc/27/01/31/388270131.db2.gz SCTFLLYBRJJRGH-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C#CC(C)(C)[N@@H+](C)CC1CC(OCC)C1 ZINC000491180284 388275081 /nfs/dbraw/zinc/27/50/81/388275081.db2.gz KNECZVWKJUHXAK-UHFFFAOYSA-N 1 0 209.333 2.145 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CSC[C@@H]1C)C(C)(C)C ZINC000491252933 388280159 /nfs/dbraw/zinc/28/01/59/388280159.db2.gz KNGWCFUOILUGCW-DCAQKATOSA-N 1 0 211.374 2.375 20 30 BEEDRO C#C[C@H](C)[N@H+](C)CCCOc1ccccc1 ZINC000491252291 388280203 /nfs/dbraw/zinc/28/02/03/388280203.db2.gz HDMWLBDUDVNSGA-ZDUSSCGKSA-N 1 0 217.312 2.409 20 30 BEEDRO C#CC(C)(C)[N@H+](C)CCc1cscn1 ZINC000491253310 388280234 /nfs/dbraw/zinc/28/02/34/388280234.db2.gz MWILKVOBZBAZSM-UHFFFAOYSA-N 1 0 208.330 2.029 20 30 BEEDRO Cc1ccc(C#N)nc1NCC[N@@H+](C)C(C)C ZINC000596110463 388404387 /nfs/dbraw/zinc/40/43/87/388404387.db2.gz PDZQUMVHNWDYCK-UHFFFAOYSA-N 1 0 232.331 2.014 20 30 BEEDRO CC[C@@H](O)C[NH2+]C1(c2ccc(C#N)cc2)CCC1 ZINC000594032527 388347031 /nfs/dbraw/zinc/34/70/31/388347031.db2.gz WCWXVZSFKSEVGS-CQSZACIVSA-N 1 0 244.338 2.298 20 30 BEEDRO C=CCCCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000276576489 388350026 /nfs/dbraw/zinc/35/00/26/388350026.db2.gz ABKIOWJVVIBKLT-UHFFFAOYSA-N 1 0 236.363 2.479 20 30 BEEDRO C#C[C@H](CC)NC(=[NH2+])Nc1ccccc1 ZINC000234026997 388351537 /nfs/dbraw/zinc/35/15/37/388351537.db2.gz VICLPRILMBHLRX-SNVBAGLBSA-N 1 0 201.273 2.035 20 30 BEEDRO C[C@H]([NH2+]Cc1ccccc1C#N)[C@H]1CCOC1 ZINC000162916136 388366139 /nfs/dbraw/zinc/36/61/39/388366139.db2.gz JVNGXKTVLLQFSA-FZMZJTMJSA-N 1 0 230.311 2.073 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C#N)cc1OC ZINC000270981515 388368962 /nfs/dbraw/zinc/36/89/62/388368962.db2.gz CMPFGGIOEDVKRH-UHFFFAOYSA-N 1 0 248.326 2.035 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(C#N)s1 ZINC000271042828 388371225 /nfs/dbraw/zinc/37/12/25/388371225.db2.gz JPJZGNXHQPFFPF-UHFFFAOYSA-N 1 0 224.329 2.088 20 30 BEEDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C#N)c2)CO1 ZINC000594914060 388373843 /nfs/dbraw/zinc/37/38/43/388373843.db2.gz CDUOTDMKNAFATG-ZIAGYGMSSA-N 1 0 230.311 2.215 20 30 BEEDRO CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000164541821 388393166 /nfs/dbraw/zinc/39/31/66/388393166.db2.gz GPDUFOMISRMPQA-FZMZJTMJSA-N 1 0 232.327 2.226 20 30 BEEDRO CC(F)(F)CC[NH2+]Cc1ccc(C#N)o1 ZINC000294347986 388398843 /nfs/dbraw/zinc/39/88/43/388398843.db2.gz YZEUTDKIOAEAMB-UHFFFAOYSA-N 1 0 214.215 2.286 20 30 BEEDRO CC[N@H+](CCOC)Cc1cccc(C#N)c1 ZINC000042493032 388444554 /nfs/dbraw/zinc/44/45/54/388444554.db2.gz BMOZPPGHGFAOBF-UHFFFAOYSA-N 1 0 218.300 2.027 20 30 BEEDRO C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000335792122 388454343 /nfs/dbraw/zinc/45/43/43/388454343.db2.gz IJMXYNJVPQQOHV-OLZOCXBDSA-N 1 0 244.338 2.362 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1cccc(C)c1 ZINC000649251913 388470531 /nfs/dbraw/zinc/47/05/31/388470531.db2.gz GTBCLUBHTMHVHS-CQSZACIVSA-N 1 0 219.328 2.364 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C(C)C ZINC000309996131 388472394 /nfs/dbraw/zinc/47/23/94/388472394.db2.gz ZBOSUPVTJMVDLD-UONOGXRCSA-N 1 0 235.302 2.107 20 30 BEEDRO CC(C)[C@H](C[NH2+]CCC#N)c1cccnc1 ZINC000516175873 256765618 /nfs/dbraw/zinc/76/56/18/256765618.db2.gz WRHRQZIEJXXYRI-ZDUSSCGKSA-N 1 0 217.316 2.324 20 30 BEEDRO CC[C@H](C)C[N@H+](CC)CCOCCC#N ZINC000339012292 388477915 /nfs/dbraw/zinc/47/79/15/388477915.db2.gz XIWNOFWSSYHSLM-LBPRGKRZSA-N 1 0 212.337 2.285 20 30 BEEDRO C=CCCCC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000516622330 388408612 /nfs/dbraw/zinc/40/86/12/388408612.db2.gz HPIXUUNKWHEFNW-LBPRGKRZSA-N 1 0 236.359 2.134 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccc(C#N)c(F)c1 ZINC000271920713 388412345 /nfs/dbraw/zinc/41/23/45/388412345.db2.gz DSFHAPASXDZEOQ-WDEREUQCSA-N 1 0 249.333 2.298 20 30 BEEDRO CC#CC[N@@H+]1CCCc2cc(OC)ccc2C1 ZINC000525109749 388416683 /nfs/dbraw/zinc/41/66/83/388416683.db2.gz SHNXODAJTLHCFR-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO COCC[C@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000122698859 388417690 /nfs/dbraw/zinc/41/76/90/388417690.db2.gz KUUUIYZKRQGFOT-LBPRGKRZSA-N 1 0 232.327 2.415 20 30 BEEDRO Cc1cc(C[NH2+]C[C@@H]2CC[C@H](O)C2)ccc1C#N ZINC000443987093 388420883 /nfs/dbraw/zinc/42/08/83/388420883.db2.gz IMXNJRBNWCTUQN-HIFRSBDPSA-N 1 0 244.338 2.117 20 30 BEEDRO Cc1cc(C[NH2+]CC2CCOCC2)ccc1C#N ZINC000443990308 388421446 /nfs/dbraw/zinc/42/14/46/388421446.db2.gz NSQRIXCUVYZYSA-UHFFFAOYSA-N 1 0 244.338 2.383 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H](C)c1ccncn1 ZINC000393802988 388426484 /nfs/dbraw/zinc/42/64/84/388426484.db2.gz NDXKXPBMVLMWIW-QWRGUYRKSA-N 1 0 205.305 2.482 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](CC)C1CCC1 ZINC000322266849 388429788 /nfs/dbraw/zinc/42/97/88/388429788.db2.gz IZSBUAZBZZQCGE-CQSZACIVSA-N 1 0 222.376 2.110 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000322369124 388433214 /nfs/dbraw/zinc/43/32/14/388433214.db2.gz YVLWGWGGKSMNEQ-FDYHWXHSSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)CC[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308347898 388435551 /nfs/dbraw/zinc/43/55/51/388435551.db2.gz QUPPAFCZTWQHDX-VXGBXAGGSA-N 1 0 209.333 2.500 20 30 BEEDRO CO[C@@H](C[NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000174132335 388435954 /nfs/dbraw/zinc/43/59/54/388435954.db2.gz OFEYVJTXPSSZRL-LBPRGKRZSA-N 1 0 236.315 2.302 20 30 BEEDRO C=CCCC[N@@H+](C)CCNC(=O)OC(C)(C)C ZINC000177509571 388485037 /nfs/dbraw/zinc/48/50/37/388485037.db2.gz VGPNIIQWGMAHBM-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)[C@@H]1CC1(C)C ZINC000397620910 388485355 /nfs/dbraw/zinc/48/53/55/388485355.db2.gz DKVDQUHLAZLQTK-WOPDTQHZSA-N 1 0 211.349 2.338 20 30 BEEDRO C[N@@H+](Cc1ccc(CC#N)cc1)C[C@@H]1CCOC1 ZINC000343544885 388501334 /nfs/dbraw/zinc/50/13/34/388501334.db2.gz YBLCJRVBJNLYLH-HNNXBMFYSA-N 1 0 244.338 2.221 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312254345 388507889 /nfs/dbraw/zinc/50/78/89/388507889.db2.gz IKQUDQSEDYSYEF-VIFPVBQESA-N 1 0 209.264 2.498 20 30 BEEDRO COC[C@@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000347811013 388524283 /nfs/dbraw/zinc/52/42/83/388524283.db2.gz VJSZXQVZQAXJCB-OAHLLOKOSA-N 1 0 244.338 2.267 20 30 BEEDRO COC[C@H]([NH2+]Cc1ccc(CC#N)cc1)C1CC1 ZINC000347810998 388524381 /nfs/dbraw/zinc/52/43/81/388524381.db2.gz VJSZXQVZQAXJCB-HNNXBMFYSA-N 1 0 244.338 2.267 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](OCCC)CC1 ZINC000649303431 388586747 /nfs/dbraw/zinc/58/67/47/388586747.db2.gz RQWONARUSIKHAL-ZIAGYGMSSA-N 1 0 241.375 2.205 20 30 BEEDRO C[C@@]1([NH2+]Cc2ccc(C#N)o2)CCO[C@H]1C1CC1 ZINC000273161106 388591232 /nfs/dbraw/zinc/59/12/32/388591232.db2.gz UECIAYKVFSBKGZ-UONOGXRCSA-N 1 0 246.310 2.198 20 30 BEEDRO C=CCOCC[NH+]1CCC(OC(C)C)CC1 ZINC000549823187 388591579 /nfs/dbraw/zinc/59/15/79/388591579.db2.gz CPXBJWYCXFVPKS-UHFFFAOYSA-N 1 0 227.348 2.078 20 30 BEEDRO CC[NH+](CC)[C@@H](C)CNc1nccc(C)c1C#N ZINC000273270817 388593417 /nfs/dbraw/zinc/59/34/17/388593417.db2.gz BRYVNCJUUDYVMM-LBPRGKRZSA-N 1 0 246.358 2.404 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000649307564 388593704 /nfs/dbraw/zinc/59/37/04/388593704.db2.gz AXJSKUDFDFUTMD-NEPJUHHUSA-N 1 0 221.300 2.006 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000328301639 388594964 /nfs/dbraw/zinc/59/49/64/388594964.db2.gz URFJBFKPXSGRLJ-UONOGXRCSA-N 1 0 222.376 2.110 20 30 BEEDRO C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)OC)CC1 ZINC000186405986 388600195 /nfs/dbraw/zinc/60/01/95/388600195.db2.gz MTEBQYQLRRGTRH-LLVKDONJSA-N 1 0 240.347 2.019 20 30 BEEDRO CCC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000296196540 388600928 /nfs/dbraw/zinc/60/09/28/388600928.db2.gz BTKZHLMCFYPCCE-AWEZNQCLSA-N 1 0 232.327 2.151 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCC1(C)C ZINC000328319358 388603166 /nfs/dbraw/zinc/60/31/66/388603166.db2.gz YSZJIBOIHTXJRH-CYBMUJFWSA-N 1 0 222.376 2.110 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](CC)CC1 ZINC000649315978 388604450 /nfs/dbraw/zinc/60/44/50/388604450.db2.gz HWTKSYQNXPKLFG-CHWSQXEVSA-N 1 0 211.349 2.436 20 30 BEEDRO CSCCCN(C)Cc1nc(C#N)cs1 ZINC000356304959 388606638 /nfs/dbraw/zinc/60/66/38/388606638.db2.gz PVBJPNAGJAZYDO-UHFFFAOYSA-N 1 0 241.385 2.200 20 30 BEEDRO CC[C@H]([NH2+]Cc1cccc(C#N)c1)[C@H]1CCOC1 ZINC000301479797 388611874 /nfs/dbraw/zinc/61/18/74/388611874.db2.gz LZUWQCHMFBABEY-GJZGRUSLSA-N 1 0 244.338 2.463 20 30 BEEDRO CC(C)C[C@H](CNc1cccnc1C#N)[NH+](C)C ZINC000357305019 388614332 /nfs/dbraw/zinc/61/43/32/388614332.db2.gz RJQJQYVPOSVPEO-GFCCVEGCSA-N 1 0 246.358 2.341 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000080644273 388560352 /nfs/dbraw/zinc/56/03/52/388560352.db2.gz KQZSNMJOJYHOKH-NSHDSACASA-N 1 0 240.347 2.114 20 30 BEEDRO C[C@@H]1C[N@H+](CCCSCC#N)CCS1 ZINC000080631702 388561240 /nfs/dbraw/zinc/56/12/40/388561240.db2.gz FELQBKPKBCVBTO-SNVBAGLBSA-N 1 0 230.402 2.071 20 30 BEEDRO C=CCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528735426 388563891 /nfs/dbraw/zinc/56/38/91/388563891.db2.gz WXKXGUHYEJHGIH-UHFFFAOYSA-N 1 0 229.327 2.288 20 30 BEEDRO C=C(CC)C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000549079161 388572800 /nfs/dbraw/zinc/57/28/00/388572800.db2.gz VEOLNPXPWCPYQG-VIFPVBQESA-N 1 0 205.248 2.266 20 30 BEEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528790194 388574093 /nfs/dbraw/zinc/57/40/93/388574093.db2.gz VHNXMKXYRXDMMN-GFCCVEGCSA-N 1 0 233.315 2.285 20 30 BEEDRO CC(C)C[C@@H]([NH3+])c1noc(-c2ccc(C#N)o2)n1 ZINC000414632837 388665389 /nfs/dbraw/zinc/66/53/89/388665389.db2.gz YFZKXYBIZKMOGQ-SECBINFHSA-N 1 0 246.270 2.247 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000552080224 388667067 /nfs/dbraw/zinc/66/70/67/388667067.db2.gz UEVYRYHYPPIYTG-ZDUSSCGKSA-N 1 0 208.349 2.123 20 30 BEEDRO C[C@H]1CCSCC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191813836 388670122 /nfs/dbraw/zinc/67/01/22/388670122.db2.gz JZBOXNOGTSHCAO-NSHDSACASA-N 1 0 249.383 2.224 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@@H](O)C(C)C)C1CC1 ZINC000125343061 388670871 /nfs/dbraw/zinc/67/08/71/388670871.db2.gz WZSJHQISHMPCHN-QWHCGFSZSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CCC[C@H]([NH2+]CCN1CCCC1)C1CC1 ZINC000125286933 388671034 /nfs/dbraw/zinc/67/10/34/388671034.db2.gz CYNCYDWLCLVESF-AWEZNQCLSA-N 1 0 222.376 2.417 20 30 BEEDRO C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]1)c1ccc(C#N)cc1 ZINC000422966483 388686303 /nfs/dbraw/zinc/68/63/03/388686303.db2.gz AGXBMTZYZMLCEQ-TYNCELHUSA-N 1 0 243.354 2.349 20 30 BEEDRO C[C@@H]1[C@H](C)C[N@H+](Cc2nc(C#N)cs2)[C@H]1C ZINC000418132290 388674842 /nfs/dbraw/zinc/67/48/42/388674842.db2.gz YUYTURYUOPFXFA-BBBLOLIVSA-N 1 0 235.356 2.491 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)CCCC ZINC000125818287 388677905 /nfs/dbraw/zinc/67/79/05/388677905.db2.gz YVKAFYCZIKBGCB-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCCc2cc(C#N)ccc21)[C@H](C)O ZINC000554375536 388623081 /nfs/dbraw/zinc/62/30/81/388623081.db2.gz QYLMKFMJZMDITR-JRPNMDOOSA-N 1 0 244.338 2.295 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCN1C ZINC000154552006 388626739 /nfs/dbraw/zinc/62/67/39/388626739.db2.gz UIGRHHWEVIKLDL-AVGNSLFASA-N 1 0 210.365 2.271 20 30 BEEDRO CC[C@@H]1C[N@H+](CCC(C)(C)C#N)[C@H](C)CO1 ZINC000403991890 388631651 /nfs/dbraw/zinc/63/16/51/388631651.db2.gz SIRBQDFVUVLIBJ-VXGBXAGGSA-N 1 0 224.348 2.426 20 30 BEEDRO CC[C@H]1C[N@H+](CC2(CC#N)CC2)[C@@H](C)CO1 ZINC000403985268 388632044 /nfs/dbraw/zinc/63/20/44/388632044.db2.gz RKGAWMLIOBELPR-RYUDHWBXSA-N 1 0 222.332 2.180 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)c(F)c2)[C@H](C)O1 ZINC000404069388 388633475 /nfs/dbraw/zinc/63/34/75/388633475.db2.gz KXBIWSRLRUSLAD-ISTVAULSSA-N 1 0 248.301 2.353 20 30 BEEDRO C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1C#N ZINC000230156325 388634587 /nfs/dbraw/zinc/63/45/87/388634587.db2.gz WOWYINHCZJIRKW-FZMZJTMJSA-N 1 0 230.311 2.215 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C[C@H]1CCCN1C ZINC000154608235 388634647 /nfs/dbraw/zinc/63/46/47/388634647.db2.gz QCQUIKGAZACIEJ-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(C#N)cs1 ZINC000230152531 388635124 /nfs/dbraw/zinc/63/51/24/388635124.db2.gz YREXKGPLLCAHBJ-JOYOIKCWSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1 ZINC000230316297 388636297 /nfs/dbraw/zinc/63/62/97/388636297.db2.gz DCWPKUIIWWDLSW-LSDHHAIUSA-N 1 0 242.322 2.215 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc(C#N)c1 ZINC000109545749 388640185 /nfs/dbraw/zinc/64/01/85/388640185.db2.gz PJGMLOWULMFAKJ-BXUZGUMPSA-N 1 0 230.311 2.388 20 30 BEEDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccc(C#N)cc1F ZINC000305799443 388642720 /nfs/dbraw/zinc/64/27/20/388642720.db2.gz CKBNXSCTWVHQRN-VHSXEESVSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@H](CCO)[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000305823472 388643100 /nfs/dbraw/zinc/64/31/00/388643100.db2.gz PZNPRMLIANCNFD-NXEZZACHSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000305799444 388643141 /nfs/dbraw/zinc/64/31/41/388643141.db2.gz CKBNXSCTWVHQRN-ZJUUUORDSA-N 1 0 236.290 2.119 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000514792002 388644427 /nfs/dbraw/zinc/64/44/27/388644427.db2.gz FGGNTGKJCKTVOS-SNVBAGLBSA-N 1 0 245.282 2.308 20 30 BEEDRO Cc1cc(C#N)cc(NC[C@]2(C)CCC[NH2+]C2)n1 ZINC000161794249 177725914 /nfs/dbraw/zinc/72/59/14/177725914.db2.gz MHWNGYFUPKHYLS-CQSZACIVSA-N 1 0 244.342 2.063 20 30 BEEDRO C[C@H]1CSCC[N@H+](CCCSCC#N)C1 ZINC000190422366 388651019 /nfs/dbraw/zinc/65/10/19/388651019.db2.gz XQCWFUQCKKBOOA-LLVKDONJSA-N 1 0 244.429 2.318 20 30 BEEDRO C[N@@H+](Cc1ccccc1C#N)C[C@@H]1CCCOC1 ZINC000111162743 388655592 /nfs/dbraw/zinc/65/55/92/388655592.db2.gz FFRDUIIGKFARCZ-ZDUSSCGKSA-N 1 0 244.338 2.417 20 30 BEEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H]1CCCOC1 ZINC000111162683 388656112 /nfs/dbraw/zinc/65/61/12/388656112.db2.gz UIXRJUYOIGVMPQ-OAHLLOKOSA-N 1 0 244.338 2.417 20 30 BEEDRO C[N@H+](CCNc1ccc(F)cc1C#N)C1CC1 ZINC000111238371 388658371 /nfs/dbraw/zinc/65/83/71/388658371.db2.gz HTSUYWPAPDXQGM-UHFFFAOYSA-N 1 0 233.290 2.203 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCC[C@H]1O ZINC000252725517 388658731 /nfs/dbraw/zinc/65/87/31/388658731.db2.gz MNDMZKITVXWZLG-LSDHHAIUSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCCN1Cc1cccc(C#N)c1 ZINC000063191706 388659915 /nfs/dbraw/zinc/65/99/15/388659915.db2.gz LEZNUOQMVKRVSK-WFASDCNBSA-N 1 0 243.354 2.260 20 30 BEEDRO CC[C@H]([NH2+]CC[C@@H](C)O)c1ccc(C#N)cc1 ZINC000447536658 388736709 /nfs/dbraw/zinc/73/67/09/388736709.db2.gz OYTQHJQUSJRXIW-RISCZKNCSA-N 1 0 232.327 2.370 20 30 BEEDRO N#Cc1csc(CN2CCOC[C@H]2C2CC2)c1 ZINC000093645816 388745796 /nfs/dbraw/zinc/74/57/96/388745796.db2.gz DVBRELPXONUCCY-ZDUSSCGKSA-N 1 0 248.351 2.231 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C#N)c2)[C@@H](C)O1 ZINC000449304914 388747748 /nfs/dbraw/zinc/74/77/48/388747748.db2.gz QFDDZKZLSXXSKW-LALPHHSUSA-N 1 0 244.338 2.256 20 30 BEEDRO N#Cc1cccc(C[NH2+]C2(CF)CCOCC2)c1 ZINC000449445917 388749038 /nfs/dbraw/zinc/74/90/38/388749038.db2.gz NDGZEUYFQFTFRN-UHFFFAOYSA-N 1 0 248.301 2.167 20 30 BEEDRO CC[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(C#N)cc1 ZINC000423179460 388688764 /nfs/dbraw/zinc/68/87/64/388688764.db2.gz DJSZOOSBYHPWSM-GJZGRUSLSA-N 1 0 243.354 2.351 20 30 BEEDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C#N)cc1F ZINC000423229330 388689206 /nfs/dbraw/zinc/68/92/06/388689206.db2.gz AUYPNNJGOMAXIR-PWSUYJOCSA-N 1 0 247.317 2.100 20 30 BEEDRO C[C@@H](NCC[C@H](C)[NH3+])c1ccc(C#N)cc1F ZINC000423227341 388690054 /nfs/dbraw/zinc/69/00/54/388690054.db2.gz VIVZJZVHYSJWHK-VHSXEESVSA-N 1 0 235.306 2.085 20 30 BEEDRO CCC[NH2+]CCN[C@H](C)c1cccc(C#N)c1 ZINC000423314191 388690799 /nfs/dbraw/zinc/69/07/99/388690799.db2.gz VLSMISCDQJPVCS-GFCCVEGCSA-N 1 0 231.343 2.208 20 30 BEEDRO CC[C@@H](NCC1([NH3+])CCC1)c1ccc(C#N)cc1 ZINC000423335810 388691487 /nfs/dbraw/zinc/69/14/87/388691487.db2.gz UGKJMFVMQDHMQO-CQSZACIVSA-N 1 0 243.354 2.480 20 30 BEEDRO CCC[NH2+]CCN[C@H](C)c1ccc(C#N)c(F)c1 ZINC000423307245 388691530 /nfs/dbraw/zinc/69/15/30/388691530.db2.gz GKVRMLRBUBOQSM-LLVKDONJSA-N 1 0 249.333 2.348 20 30 BEEDRO CC[C@H](COC)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248829371 388695763 /nfs/dbraw/zinc/69/57/63/388695763.db2.gz HALUPLAVQAVOQM-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(C#N)cc1 ZINC000115519283 388696316 /nfs/dbraw/zinc/69/63/16/388696316.db2.gz SNUZEBCLWQGJMN-CQSZACIVSA-N 1 0 243.354 2.336 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000248876076 388697613 /nfs/dbraw/zinc/69/76/13/388697613.db2.gz JLDPLUXJQVLGPG-UPJWGTAASA-N 1 0 222.332 2.085 20 30 BEEDRO CCOc1cccc(CN(CC)CCC#N)n1 ZINC000127632711 388728580 /nfs/dbraw/zinc/72/85/80/388728580.db2.gz KVLKORLCYIDRQP-UHFFFAOYSA-N 1 0 233.315 2.216 20 30 BEEDRO C=CCC[C@H](O)C[N@H+]1CCCC(C)(C)C1 ZINC000128814621 388796741 /nfs/dbraw/zinc/79/67/41/388796741.db2.gz OWCCQRTVJIOHLO-LBPRGKRZSA-N 1 0 211.349 2.436 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000229888624 388802687 /nfs/dbraw/zinc/80/26/87/388802687.db2.gz YJPAYNZEXLPTKR-GFCCVEGCSA-N 1 0 233.359 2.219 20 30 BEEDRO C#C[C@H](CC)NCc1c(F)cccc1F ZINC000229884721 388802959 /nfs/dbraw/zinc/80/29/59/388802959.db2.gz HEMABPHINANCCU-SECBINFHSA-N 1 0 209.239 2.466 20 30 BEEDRO CCOC(=O)C[N@H+](CC)CC(C)(C)CCC#N ZINC000092399802 388803595 /nfs/dbraw/zinc/80/35/95/388803595.db2.gz DLNVKEQOVXHLMZ-UHFFFAOYSA-N 1 0 240.347 2.201 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1c(C)nc2ccccn21 ZINC000229890750 388803967 /nfs/dbraw/zinc/80/39/67/388803967.db2.gz ZQUOUDUNCMBAEH-GFCCVEGCSA-N 1 0 227.311 2.144 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000229900285 388804806 /nfs/dbraw/zinc/80/48/06/388804806.db2.gz IOQYJNJEJNDOGH-CYBMUJFWSA-N 1 0 240.306 2.442 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(OC)cc1F ZINC000229960811 388806828 /nfs/dbraw/zinc/80/68/28/388806828.db2.gz KRQGHBQXPDEAFW-NSHDSACASA-N 1 0 221.275 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000229969748 388808415 /nfs/dbraw/zinc/80/84/15/388808415.db2.gz KDXJSUSUUSMBAC-NEPJUHHUSA-N 1 0 207.317 2.090 20 30 BEEDRO CCSCCC[NH2+]Cc1ccc(C#N)o1 ZINC000281901735 388811199 /nfs/dbraw/zinc/81/11/99/388811199.db2.gz FQLZAUMVJRSQLG-UHFFFAOYSA-N 1 0 224.329 2.384 20 30 BEEDRO CC[C@@H]([NH2+]CC(C)(C)O)c1ccc(C#N)cc1 ZINC000278820847 388758546 /nfs/dbraw/zinc/75/85/46/388758546.db2.gz SMFCZRNHZHESSQ-CYBMUJFWSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252730914 388777054 /nfs/dbraw/zinc/77/70/54/388777054.db2.gz NKTYUAYLJMGZRC-YVECIDJPSA-N 1 0 211.349 2.480 20 30 BEEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1(C)C ZINC000553813337 388791172 /nfs/dbraw/zinc/79/11/72/388791172.db2.gz AJVAWDHTHRAOAV-FVCCEPFGSA-N 1 0 249.358 2.079 20 30 BEEDRO CO[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)[C@H](C)C1 ZINC000282309719 388814904 /nfs/dbraw/zinc/81/49/04/388814904.db2.gz MWPFUPNVAZAVEN-GHMZBOCLSA-N 1 0 234.299 2.151 20 30 BEEDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)N(C)C1CC1 ZINC000253354847 388815064 /nfs/dbraw/zinc/81/50/64/388815064.db2.gz MTOPLRIAHWVTOQ-JHJVBQTASA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)N(C)C1CC1 ZINC000253354848 388815746 /nfs/dbraw/zinc/81/57/46/388815746.db2.gz MTOPLRIAHWVTOQ-UPJWGTAASA-N 1 0 235.375 2.141 20 30 BEEDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(C#N)o1 ZINC000334831610 388825728 /nfs/dbraw/zinc/82/57/28/388825728.db2.gz IKEOONBXCHVVQX-VHSXEESVSA-N 1 0 204.273 2.382 20 30 BEEDRO C[C@H](NC1CC[NH2+]CC1)c1ccc(C#N)cc1F ZINC000335007903 388827321 /nfs/dbraw/zinc/82/73/21/388827321.db2.gz AZAABBICWJFOAN-JTQLQIEISA-N 1 0 247.317 2.100 20 30 BEEDRO C=CCCCC[N@H+]1CCCC[C@@H]1C(=O)OC ZINC000556219082 388870365 /nfs/dbraw/zinc/87/03/65/388870365.db2.gz JZHSJRDUPITSGT-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1CCOC1)c1ccc(C#N)cc1 ZINC000037508472 388885996 /nfs/dbraw/zinc/88/59/96/388885996.db2.gz AKMPZUPEZBBLAJ-WCQYABFASA-N 1 0 230.311 2.245 20 30 BEEDRO C[C@H](O)[C@@H]1CCC[N@H+](CCC(C)(C)C#N)C1 ZINC000305678743 388951465 /nfs/dbraw/zinc/95/14/65/388951465.db2.gz MTXGMTRAVJIKAS-NWDGAFQWSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[N@H+](CCOC)CCc1ncc(C)cc1C ZINC000565889355 388976378 /nfs/dbraw/zinc/97/63/78/388976378.db2.gz IKDOFFNJGYOLRG-UHFFFAOYSA-N 1 0 248.370 2.375 20 30 BEEDRO C=CCCCC[N@@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000565991443 388981932 /nfs/dbraw/zinc/98/19/32/388981932.db2.gz MEEKZRMSYXIFNI-STQMWFEESA-N 1 0 236.359 2.086 20 30 BEEDRO C[C@@H](O)[C@](C)(C[NH2+]CCC#N)Cc1ccccc1 ZINC000566009558 388983759 /nfs/dbraw/zinc/98/37/59/388983759.db2.gz ALXKUFDXHWZRNX-HIFRSBDPSA-N 1 0 246.354 2.119 20 30 BEEDRO N#CCCCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000565828550 388971759 /nfs/dbraw/zinc/97/17/59/388971759.db2.gz VUVVZSWJIQIDDT-UHFFFAOYSA-N 1 0 245.326 2.299 20 30 BEEDRO C=CCCCCNc1ncnc2c1cnn2C ZINC000274525564 389046927 /nfs/dbraw/zinc/04/69/27/389046927.db2.gz PZGRXLRDOPBFFV-UHFFFAOYSA-N 1 0 231.303 2.132 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000289116337 533233883 /nfs/dbraw/zinc/23/38/83/533233883.db2.gz DEHQEMBYIWHMDA-SECBINFHSA-N 1 0 233.702 2.099 20 30 BEEDRO C#C[C@@H](CC)NC(=[NH2+])Nc1ccc(CC)cc1 ZINC000263026911 533236387 /nfs/dbraw/zinc/23/63/87/533236387.db2.gz UCYTXSMKPOIABK-LBPRGKRZSA-N 1 0 229.327 2.387 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C#N)o1)C(C)(C)C ZINC000290143138 533267389 /nfs/dbraw/zinc/26/73/89/533267389.db2.gz KMZKDXDHMNSHAL-GFCCVEGCSA-N 1 0 216.284 2.289 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(CC)nn(C)c1CC)C(C)C ZINC000289571730 533266440 /nfs/dbraw/zinc/26/64/40/533266440.db2.gz SNPRYRHZRGONQQ-CYBMUJFWSA-N 1 0 247.386 2.292 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccnn1C(C)C)C(C)C ZINC000289341954 533266709 /nfs/dbraw/zinc/26/67/09/533266709.db2.gz IAGACQIYSNWHDB-CYBMUJFWSA-N 1 0 219.332 2.211 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N1CCCCCC1)C(C)(C)C ZINC000262345916 533277656 /nfs/dbraw/zinc/27/76/56/533277656.db2.gz ZTODXSSXSPPZKP-LBPRGKRZSA-N 1 0 235.375 2.225 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC(C)C)c1ccc(Cl)cc1 ZINC000262394824 533277740 /nfs/dbraw/zinc/27/77/40/533277740.db2.gz SNFUBZSXPAYGNM-LBPRGKRZSA-N 1 0 249.745 2.327 20 30 BEEDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(CC#N)cc2)C1 ZINC000510120310 533291253 /nfs/dbraw/zinc/29/12/53/533291253.db2.gz MXMIBYDKQNRDOD-GASCZTMLSA-N 1 0 244.338 2.362 20 30 BEEDRO C#C[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000289097526 533297472 /nfs/dbraw/zinc/29/74/72/533297472.db2.gz BWAWPNJJXDUZGM-LBPRGKRZSA-N 1 0 229.323 2.165 20 30 BEEDRO C#C[C@H](C)[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000289543844 533298135 /nfs/dbraw/zinc/29/81/35/533298135.db2.gz QQWOOWYVMQSFBM-NWDGAFQWSA-N 1 0 247.338 2.333 20 30 BEEDRO C#Cc1ccc(C[NH2+]CC[C@@H](C)OC)cc1 ZINC000289223245 533342191 /nfs/dbraw/zinc/34/21/91/533342191.db2.gz JNWRKFPYSKPHOD-GFCCVEGCSA-N 1 0 217.312 2.183 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH+](CC)CC ZINC000120530124 533500839 /nfs/dbraw/zinc/50/08/39/533500839.db2.gz KKBNSRHIJUUYLO-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CC(C)C ZINC000340678743 533501807 /nfs/dbraw/zinc/50/18/07/533501807.db2.gz XVSKHRMBCXDTNG-ZDUSSCGKSA-N 1 0 240.391 2.387 20 30 BEEDRO C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H]1CCC[NH2+]1 ZINC000400325849 533503368 /nfs/dbraw/zinc/50/33/68/533503368.db2.gz AGXBMTZYZMLCEQ-ZOWXZIJZSA-N 1 0 243.354 2.349 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCC[C@@H]1C ZINC000261997286 533510432 /nfs/dbraw/zinc/51/04/32/533510432.db2.gz OFCKNIFLGZAFQJ-RYUDHWBXSA-N 1 0 223.364 2.293 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@H]1CC ZINC000263122925 533510755 /nfs/dbraw/zinc/51/07/55/533510755.db2.gz MFGKCNFQALMLLT-NEPJUHHUSA-N 1 0 223.364 2.293 20 30 BEEDRO CCC[N@H+](CCOC)[C@@H](C)CCCC#N ZINC001172494441 974846342 /nfs/dbraw/zinc/84/63/42/974846342.db2.gz UVGXAEIOUMLWKN-LBPRGKRZSA-N 1 0 212.337 2.427 20 30 BEEDRO COC[C@H]([NH2+]CCC(C)(C)C#N)C(C)C ZINC000083638959 322828565 /nfs/dbraw/zinc/82/85/65/322828565.db2.gz RAXAVQWGTDYCCA-NSHDSACASA-N 1 0 212.337 2.187 20 30 BEEDRO N#Cc1cc(Cl)ccc1N1CCC[C@@H](C[NH3+])C1 ZINC000052858757 132229606 /nfs/dbraw/zinc/22/96/06/132229606.db2.gz UDBKMLRQJOVTTJ-JTQLQIEISA-N 1 0 249.745 2.387 20 30 BEEDRO C[C@H]([NH3+])[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000070174953 132230449 /nfs/dbraw/zinc/23/04/49/132230449.db2.gz AAKMYCWIYGCKHK-WCQYABFASA-N 1 0 229.327 2.122 20 30 BEEDRO C[NH2+]CC1CCN(c2cccc(F)c2C#N)CC1 ZINC000063166413 132241609 /nfs/dbraw/zinc/24/16/09/132241609.db2.gz YVOMIAVZVGLKMC-UHFFFAOYSA-N 1 0 247.317 2.133 20 30 BEEDRO C[C@H]([NH3+])C1CCN(c2cccc(F)c2C#N)CC1 ZINC000110651883 132268327 /nfs/dbraw/zinc/26/83/27/132268327.db2.gz SKZMDWRUZJZESY-JTQLQIEISA-N 1 0 247.317 2.261 20 30 BEEDRO CC(C)[NH+]1CCN(c2ccccc2C#N)CC1 ZINC000035238254 132268611 /nfs/dbraw/zinc/26/86/11/132268611.db2.gz YRRVRZYUMKDUDY-UHFFFAOYSA-N 1 0 229.327 2.089 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)cc2)C[C@H](C)[N@H+]1C ZINC000116304985 132268683 /nfs/dbraw/zinc/26/86/83/132268683.db2.gz YVULRJRVLNGSKX-TXEJJXNPSA-N 1 0 229.327 2.087 20 30 BEEDRO C[C@@H]1CN(c2ccc(C#N)c(Cl)c2)[C@H](C)C[NH2+]1 ZINC000034575210 132312242 /nfs/dbraw/zinc/31/22/42/132312242.db2.gz YCQNSAKOFYYABG-NXEZZACHSA-N 1 0 249.745 2.398 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC(C)(C)C1 ZINC000309087876 133455729 /nfs/dbraw/zinc/45/57/29/133455729.db2.gz ABFLVRCPQMHGFR-RYUDHWBXSA-N 1 0 211.349 2.339 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000306387459 133470871 /nfs/dbraw/zinc/47/08/71/133470871.db2.gz UEPMEFUFSIXRBZ-YTWAJWBKSA-N 1 0 210.346 2.020 20 30 BEEDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C#N)C1)c1cnn(C)c1 ZINC000278822566 133553772 /nfs/dbraw/zinc/55/37/72/133553772.db2.gz SOBUKUKOANRQFR-LOWVWBTDSA-N 1 0 232.331 2.153 20 30 BEEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCc2ccncc2)C1 ZINC000278847885 133554005 /nfs/dbraw/zinc/55/40/05/133554005.db2.gz VHIVYDBRJLVOKQ-ZIAGYGMSSA-N 1 0 229.327 2.296 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CCc2ccncc2)C1 ZINC000278847879 133554006 /nfs/dbraw/zinc/55/40/06/133554006.db2.gz VHIVYDBRJLVOKQ-KBPBESRZSA-N 1 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134146168 /nfs/dbraw/zinc/14/61/68/134146168.db2.gz QQNATWAFAGQGSB-NSHDSACASA-N 1 0 240.322 2.272 20 30 BEEDRO N#CC1(F)CC[NH+]([C@@H]2C=CCCC2)CC1 ZINC000352490521 134146778 /nfs/dbraw/zinc/14/67/78/134146778.db2.gz JQCDHDDKARDATF-LLVKDONJSA-N 1 0 208.280 2.423 20 30 BEEDRO N#CC1CCC(C[NH2+]C2CCC(O)CC2)CC1 ZINC000336602928 134151177 /nfs/dbraw/zinc/15/11/77/134151177.db2.gz QXCYUMDTPLAPEM-UHFFFAOYSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000352734611 134151974 /nfs/dbraw/zinc/15/19/74/134151974.db2.gz YWWXTORAUUEQSG-GXTWGEPZSA-N 1 0 249.354 2.097 20 30 BEEDRO CC1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCOCC1 ZINC000336624437 134152017 /nfs/dbraw/zinc/15/20/17/134152017.db2.gz URPDMZDPMVALJO-STQMWFEESA-N 1 0 236.359 2.475 20 30 BEEDRO C=CCC[C@@H](O)C[NH+]1Cc2ccccc2C1 ZINC000034254004 134161460 /nfs/dbraw/zinc/16/14/60/134161460.db2.gz LGSKAFRBSPCADF-CQSZACIVSA-N 1 0 217.312 2.329 20 30 BEEDRO C=CC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000353103851 134162029 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134165949 /nfs/dbraw/zinc/16/59/49/134165949.db2.gz CIICCHCEBNAELP-NEPJUHHUSA-N 1 0 233.315 2.198 20 30 BEEDRO Cn1nccc1C[N@H+](C)CC(C)(C)CCC#N ZINC000355277387 134172486 /nfs/dbraw/zinc/17/24/86/134172486.db2.gz HUPQDKHCFBOUBB-UHFFFAOYSA-N 1 0 234.347 2.182 20 30 BEEDRO C=CCN(CC[NH+]1CCC(C)CC1)C1CC1 ZINC000357556290 134184146 /nfs/dbraw/zinc/18/41/46/134184146.db2.gz VPEBUXHWGYVCON-UHFFFAOYSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CCC1(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCC1 ZINC000359333696 134194490 /nfs/dbraw/zinc/19/44/90/134194490.db2.gz CEJDDQKPMQEGBH-GFCCVEGCSA-N 1 0 248.370 2.086 20 30 BEEDRO CC#CCC[NH+]1CCC(CC(=O)OCC)CC1 ZINC000360437211 134200350 /nfs/dbraw/zinc/20/03/50/134200350.db2.gz LPWRZNHVYDLHSU-UHFFFAOYSA-N 1 0 237.343 2.065 20 30 BEEDRO CN1CC[C@H]2CC[N@H+](CC(C)(C)CCC#N)[C@H]2C1 ZINC000360676334 134201671 /nfs/dbraw/zinc/20/16/71/134201671.db2.gz ZQMQLHFNNODHLQ-KBPBESRZSA-N 1 0 249.402 2.342 20 30 BEEDRO C=C(C)C[N@@H+](C)Cc1cn(C)nc1C(F)F ZINC000360964157 134202847 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/nfs/dbraw/zinc/38/96/92/134389692.db2.gz AKMIETYFYVKYMN-UHFFFAOYSA-N 1 0 213.284 2.066 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1(C)C ZINC000227830921 134389868 /nfs/dbraw/zinc/38/98/68/134389868.db2.gz TWUIOXVTSFJALY-KGLIPLIRSA-N 1 0 244.338 2.461 20 30 BEEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000185776050 134394905 /nfs/dbraw/zinc/39/49/05/134394905.db2.gz OIPMTZYNKUDGCL-RDBSUJKOSA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@@H](O)CCC[NH2+]CC(C)(C)CCC#N ZINC000227955911 134395424 /nfs/dbraw/zinc/39/54/24/134395424.db2.gz FVSXKEREATWATC-LLVKDONJSA-N 1 0 212.337 2.067 20 30 BEEDRO CNC(=[NH2+])NC[C@@H]1CCC(C)(C)c2ccccc21 ZINC000093882581 134438581 /nfs/dbraw/zinc/43/85/81/134438581.db2.gz PPPOWBKBHZASNT-NSHDSACASA-N 1 0 245.370 2.376 20 30 BEEDRO CO[C@](C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C1CC1 ZINC000309521627 134445609 /nfs/dbraw/zinc/44/56/09/134445609.db2.gz AOGAEXCOKUPJOG-RAIGVLPGSA-N 1 0 222.332 2.083 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@@]1(OC)CCOC1 ZINC000309696302 134479182 /nfs/dbraw/zinc/47/91/82/134479182.db2.gz LCGKNPYKTVGTJC-STQMWFEESA-N 1 0 227.348 2.126 20 30 BEEDRO C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccc(C#N)cc1F ZINC000230151247 134482603 /nfs/dbraw/zinc/48/26/03/134482603.db2.gz XRGVQVJDUPNIJJ-QMTHXVAHSA-N 1 0 248.301 2.354 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]C[C@@H]1COCCO1 ZINC000310014523 134497507 /nfs/dbraw/zinc/49/75/07/134497507.db2.gz KIBCVYAECFKIGQ-CHWSQXEVSA-N 1 0 227.348 2.126 20 30 BEEDRO CCOC[C@@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233735672 134567151 /nfs/dbraw/zinc/56/71/51/134567151.db2.gz YUCFRYZJXRGSTQ-LLVKDONJSA-N 1 0 248.326 2.081 20 30 BEEDRO CO[C@H](C)CC[NH2+]CC(C)(C)CCC#N ZINC000309247475 134598184 /nfs/dbraw/zinc/59/81/84/134598184.db2.gz ZLDLNFPRLKWOMD-LLVKDONJSA-N 1 0 212.337 2.331 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)C(C1CC1)C1CC1 ZINC000124817766 134607366 /nfs/dbraw/zinc/60/73/66/134607366.db2.gz LZJKDWUEUVBRDO-ZDUSSCGKSA-N 1 0 223.360 2.434 20 30 BEEDRO C[N@H+](CCCC(C)(C)C#N)[C@@H]1CCOC1 ZINC000135534760 134749785 /nfs/dbraw/zinc/74/97/85/134749785.db2.gz CCCFCDRQTDKTGZ-LLVKDONJSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCSCC[NH2+][C@@H](C)C(C)(C)OC ZINC000300803788 134843871 /nfs/dbraw/zinc/84/38/71/134843871.db2.gz ARTMQHIBNXNYPN-JTQLQIEISA-N 1 0 217.378 2.309 20 30 BEEDRO N#Cc1ccc(N2CCC[C@H]2C[NH3+])cc1Cl ZINC000168992827 134875884 /nfs/dbraw/zinc/87/58/84/134875884.db2.gz NCGUMSHSZWBOBW-NSHDSACASA-N 1 0 235.718 2.139 20 30 BEEDRO Cc1c2cc(F)ccc2oc1CNC(=[NH2+])N(C)C ZINC000170911529 134880305 /nfs/dbraw/zinc/88/03/05/134880305.db2.gz NKWPRVWOOCXYSF-UHFFFAOYSA-N 1 0 249.289 2.257 20 30 BEEDRO C[C@@H]1CSC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000336650405 134887545 /nfs/dbraw/zinc/88/75/45/134887545.db2.gz INYJQDDYCVRBSC-ZJUUUORDSA-N 1 0 212.362 2.267 20 30 BEEDRO C[NH+]=C(NCCc1cc(C)cc(C)c1)NC1CC1 ZINC000172674745 134888507 /nfs/dbraw/zinc/88/85/07/134888507.db2.gz QEIHYOQMJHWSJN-UHFFFAOYSA-N 1 0 245.370 2.173 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000336663343 134892601 /nfs/dbraw/zinc/89/26/01/134892601.db2.gz CWOSCNJBXFDHGY-OLZOCXBDSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CS[C@H](C(C)(C)C)C1 ZINC000336694264 134904933 /nfs/dbraw/zinc/90/49/33/134904933.db2.gz XYGNLKCQQWQMBB-WOPDTQHZSA-N 1 0 243.416 2.433 20 30 BEEDRO CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)OC ZINC000336742592 134923012 /nfs/dbraw/zinc/92/30/12/134923012.db2.gz XDDOKTMTFTZUGZ-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](OCC)c1ccccc1 ZINC000194580705 134960800 /nfs/dbraw/zinc/96/08/00/134960800.db2.gz OJRXAFUYXODJEG-ZDUSSCGKSA-N 1 0 249.358 2.079 20 30 BEEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H]2C2CCC2)C1=O ZINC000337121767 135000135 /nfs/dbraw/zinc/00/01/35/135000135.db2.gz ATZWMNGRMQBEMR-UONOGXRCSA-N 1 0 248.370 2.038 20 30 BEEDRO N#CC1(CCC[NH+]2CCCC2)CCOCC1 ZINC000337123767 135000735 /nfs/dbraw/zinc/00/07/35/135000735.db2.gz CHENGZFCBAZKHE-UHFFFAOYSA-N 1 0 222.332 2.183 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](CC)[C@@H](C)C(C)C)C1=O ZINC000337147115 135002756 /nfs/dbraw/zinc/00/27/56/135002756.db2.gz YVOQVDXCHPVZDO-STQMWFEESA-N 1 0 238.375 2.140 20 30 BEEDRO N#C[C@H]1CC[C@@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)C1 ZINC000331485011 135011886 /nfs/dbraw/zinc/01/18/86/135011886.db2.gz AHFJQVPVFMCKHT-RBDSIQFVSA-N 1 0 241.338 2.413 20 30 BEEDRO CC#CC[N@@H+](C)[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000076151421 135014534 /nfs/dbraw/zinc/01/45/34/135014534.db2.gz DKKYVBKJKONLII-DGCLKSJQSA-N 1 0 209.333 2.145 20 30 BEEDRO CC#CC[N@@H+](C)[C@H]1C[C@@](C)(OC)C1(C)C ZINC000076151423 135015086 /nfs/dbraw/zinc/01/50/86/135015086.db2.gz DKKYVBKJKONLII-WCQYABFASA-N 1 0 209.333 2.145 20 30 BEEDRO C=CC[NH2+][C@H]1CCCC[C@@H]1OC(F)F ZINC000337432251 135015564 /nfs/dbraw/zinc/01/55/64/135015564.db2.gz VKGDJZLQZPHXDC-IUCAKERBSA-N 1 0 205.248 2.312 20 30 BEEDRO Cc1cc([C@H](C)[NH2+]CC2(CC#N)CC2)nn1C ZINC000337422973 135016091 /nfs/dbraw/zinc/01/60/91/135016091.db2.gz GDQFYTCNCMVTPD-NSHDSACASA-N 1 0 232.331 2.073 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000248694081 135019893 /nfs/dbraw/zinc/01/98/93/135019893.db2.gz YILFDYPMCUYZKE-DMDPSCGWSA-N 1 0 235.327 2.430 20 30 BEEDRO CCN(CC)[C@H](C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000248766275 135021332 /nfs/dbraw/zinc/02/13/32/135021332.db2.gz GXXDRQMUGPBTST-MGPQQGTHSA-N 1 0 237.391 2.389 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000248839067 135022872 /nfs/dbraw/zinc/02/28/72/135022872.db2.gz NMKXFQJXXWCGPX-AGIUHOORSA-N 1 0 241.375 2.105 20 30 BEEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249057348 135030395 /nfs/dbraw/zinc/03/03/95/135030395.db2.gz ZBLVIMKSLQRQOD-IRCOFANPSA-N 1 0 210.321 2.082 20 30 BEEDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1Cc1cccc(C#N)c1 ZINC000249102751 135033281 /nfs/dbraw/zinc/03/32/81/135033281.db2.gz WNUGAQPTWFCXHQ-JJLQDPRZSA-N 1 0 244.338 2.292 20 30 BEEDRO C=CC[N@H+](C)CCCO[C@@H]1CCCCO1 ZINC000338309287 135033882 /nfs/dbraw/zinc/03/38/82/135033882.db2.gz RFJRRDKGQXTYNJ-GFCCVEGCSA-N 1 0 213.321 2.038 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000249121224 135034986 /nfs/dbraw/zinc/03/49/86/135034986.db2.gz HHIOJRPPSYFUCL-IJLUTSLNSA-N 1 0 209.333 2.356 20 30 BEEDRO C[C@@H](C#N)CN(CCc1ccncc1)C1CC1 ZINC000338350854 135035416 /nfs/dbraw/zinc/03/54/16/135035416.db2.gz PUNIVALDHGFLHO-LBPRGKRZSA-N 1 0 229.327 2.248 20 30 BEEDRO C[C@H](C#N)CN(CC[NH+]1CCC(C)CC1)C1CC1 ZINC000338373080 135035465 /nfs/dbraw/zinc/03/54/65/135035465.db2.gz GZHVWAKOQKTSFE-CQSZACIVSA-N 1 0 249.402 2.342 20 30 BEEDRO COCCCCC[N@H+](C[C@@H](C)C#N)C1CC1 ZINC000338379534 135036722 /nfs/dbraw/zinc/03/67/22/135036722.db2.gz PPEBOMDPAPANFT-LBPRGKRZSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](n2cccn2)C1 ZINC000338547003 135038384 /nfs/dbraw/zinc/03/83/84/135038384.db2.gz PZDHFLMNMOASPB-LBPRGKRZSA-N 1 0 205.305 2.096 20 30 BEEDRO C=CCC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000338540449 135039919 /nfs/dbraw/zinc/03/99/19/135039919.db2.gz PHSHZDSEHXBEKR-NXEZZACHSA-N 1 0 237.265 2.198 20 30 BEEDRO C=CCCCCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000338590990 135041897 /nfs/dbraw/zinc/04/18/97/135041897.db2.gz GJKDSXKEKWHQQU-LBPRGKRZSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338591532 135041961 /nfs/dbraw/zinc/04/19/61/135041961.db2.gz WQMSDHAZRFYXCN-LBPRGKRZSA-N 1 0 215.312 2.139 20 30 BEEDRO C=CCCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000338681715 135044060 /nfs/dbraw/zinc/04/40/60/135044060.db2.gz SKHCHCOKTHMSAJ-ZDUSSCGKSA-N 1 0 238.375 2.189 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000338911676 135047981 /nfs/dbraw/zinc/04/79/81/135047981.db2.gz HYNLWVCMXOMPTD-RBSFLKMASA-N 1 0 247.386 2.239 20 30 BEEDRO C[C@H](C1CC1)[N@H+](CCOCCC#N)C1CC1 ZINC000338906289 135047999 /nfs/dbraw/zinc/04/79/99/135047999.db2.gz FIZJPSLHOMMNME-LLVKDONJSA-N 1 0 222.332 2.180 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H]1c1cc(C)no1 ZINC000338923314 135048112 /nfs/dbraw/zinc/04/81/12/135048112.db2.gz TYHSBRAHATZYLY-LBPRGKRZSA-N 1 0 236.315 2.323 20 30 BEEDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000338964084 135049654 /nfs/dbraw/zinc/04/96/54/135049654.db2.gz TXLVIVXYLZMHFX-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000338963092 135050499 /nfs/dbraw/zinc/05/04/99/135050499.db2.gz YRDWUTMZFBBQSX-ZDUSSCGKSA-N 1 0 209.333 2.454 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000338983317 135050588 /nfs/dbraw/zinc/05/05/88/135050588.db2.gz VUSOMZDCNQFRKI-KFWWJZLASA-N 1 0 247.386 2.239 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@H](OCC)C1(C)C ZINC000339004673 135050911 /nfs/dbraw/zinc/05/09/11/135050911.db2.gz WTGSCUVRHBMEMR-STQMWFEESA-N 1 0 241.375 2.324 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000339004670 135051683 /nfs/dbraw/zinc/05/16/83/135051683.db2.gz WTGSCUVRHBMEMR-OLZOCXBDSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CCOCC[N@@H+](C)[C@@H](C)CCSC ZINC000339037230 135052975 /nfs/dbraw/zinc/05/29/75/135052975.db2.gz GTVBWQXCHURUKG-NSHDSACASA-N 1 0 217.378 2.262 20 30 BEEDRO C=CCOCC[N@H+]1CCC[C@H]1CSC ZINC000339022446 135053057 /nfs/dbraw/zinc/05/30/57/135053057.db2.gz GPYRTYDGHPUHDY-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000339048356 135054414 /nfs/dbraw/zinc/05/44/14/135054414.db2.gz VPILWGMGQRIIDG-KBXIAJHMSA-N 1 0 248.370 2.427 20 30 BEEDRO C=CCOCC[NH2+][C@H](CCO)C1CCCCC1 ZINC000339074233 135056585 /nfs/dbraw/zinc/05/65/85/135056585.db2.gz ALSPZARXUYDFET-CQSZACIVSA-N 1 0 241.375 2.110 20 30 BEEDRO C=CCOCC[N@@H+]1CCC[C@H]1C1CCOCC1 ZINC000339075884 135056624 /nfs/dbraw/zinc/05/66/24/135056624.db2.gz MSZSNEBRMROKQX-AWEZNQCLSA-N 1 0 239.359 2.080 20 30 BEEDRO CC(C)[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000339077970 135056707 /nfs/dbraw/zinc/05/67/07/135056707.db2.gz BPWXNTIJFJYPCR-AGIUHOORSA-N 1 0 222.332 2.035 20 30 BEEDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C1CCOCC1 ZINC000339077584 135056738 /nfs/dbraw/zinc/05/67/38/135056738.db2.gz UAICRMUCINWENC-XBFCOCLRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=CCOCC[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000339084055 135056933 /nfs/dbraw/zinc/05/69/33/135056933.db2.gz NCDKBRVQGJQABR-CYBMUJFWSA-N 1 0 209.333 2.477 20 30 BEEDRO CCCC[N@H+](CCCO)[C@@H]1CC[C@H](C#N)C1 ZINC000339076233 135057018 /nfs/dbraw/zinc/05/70/18/135057018.db2.gz YOQLKUUNOBKNIA-QWHCGFSZSA-N 1 0 224.348 2.163 20 30 BEEDRO C[C@H]1CC[C@@H]([N@H+](C)CCOCCC#N)C1 ZINC000339125221 135059143 /nfs/dbraw/zinc/05/91/43/135059143.db2.gz NNNDMURQUZJPST-NWDGAFQWSA-N 1 0 210.321 2.037 20 30 BEEDRO C=CCOCC[N@@H+](C)CC1(O)CCCCCC1 ZINC000339099937 135059534 /nfs/dbraw/zinc/05/95/34/135059534.db2.gz QQUOWAWXERAYHA-UHFFFAOYSA-N 1 0 241.375 2.206 20 30 BEEDRO CC[C@]1(CO)CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000339100211 135060319 /nfs/dbraw/zinc/06/03/19/135060319.db2.gz WGIVCUIACLYCAK-IHRRRGAJSA-N 1 0 236.359 2.163 20 30 BEEDRO C[N@H+](CC[C@@H]1CCCO1)[C@H]1CC[C@H](C#N)C1 ZINC000339115215 135060805 /nfs/dbraw/zinc/06/08/05/135060805.db2.gz CEYIGZGFVJLAPA-AVGNSLFASA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)(C)[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000339137197 135060878 /nfs/dbraw/zinc/06/08/78/135060878.db2.gz AEKAGHNXTIQSLW-AVGNSLFASA-N 1 0 236.359 2.426 20 30 BEEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H]1CC[C@H](C#N)C1 ZINC000339192681 135065065 /nfs/dbraw/zinc/06/50/65/135065065.db2.gz JCYGUASHUGESHH-BARDWOONSA-N 1 0 247.386 2.237 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](COC(F)F)C2)C1 ZINC000339194785 135066524 /nfs/dbraw/zinc/06/65/24/135066524.db2.gz OJGWYGAHAUTCFG-MXWKQRLJSA-N 1 0 244.285 2.240 20 30 BEEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](C)CO)cc1 ZINC000077419759 135067313 /nfs/dbraw/zinc/06/73/13/135067313.db2.gz NELQSTMMYDLOHD-CHWSQXEVSA-N 1 0 249.354 2.358 20 30 BEEDRO C=CCC(C)(C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000339777168 135081376 /nfs/dbraw/zinc/08/13/76/135081376.db2.gz OXAMDYLCGHQKIV-GFCCVEGCSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000339818525 135083653 /nfs/dbraw/zinc/08/36/53/135083653.db2.gz CLTNGOUBRHJTBL-ZIAGYGMSSA-N 1 0 241.375 2.060 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000086500228 135087292 /nfs/dbraw/zinc/08/72/92/135087292.db2.gz NLJMMSKJFCYDOJ-NSHDSACASA-N 1 0 236.340 2.278 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc(C#N)c1 ZINC000252775946 135108071 /nfs/dbraw/zinc/10/80/71/135108071.db2.gz XPCCKYVSIDXLMQ-SDDRHHMPSA-N 1 0 232.327 2.368 20 30 BEEDRO CSc1cc(C)ccc1CNC1=[NH+]CCN1C ZINC000262202059 135117009 /nfs/dbraw/zinc/11/70/09/135117009.db2.gz AZLYNNAEVSTDJD-UHFFFAOYSA-N 1 0 249.383 2.108 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000262339229 135117905 /nfs/dbraw/zinc/11/79/05/135117905.db2.gz ABSMDOWNQKDJHS-GSVCSZOMSA-N 1 0 243.354 2.028 20 30 BEEDRO CN1CC[NH+]=C1NCc1ccc2sccc2c1 ZINC000262370996 135117921 /nfs/dbraw/zinc/11/79/21/135117921.db2.gz LQIHINFLIBHPTE-UHFFFAOYSA-N 1 0 245.351 2.292 20 30 BEEDRO C[C@H]1C[NH+]=C(NCc2ccc3sccc3c2)N1 ZINC000262362905 135118155 /nfs/dbraw/zinc/11/81/55/135118155.db2.gz JIKUPDVOROEGKO-VIFPVBQESA-N 1 0 245.351 2.339 20 30 BEEDRO C[NH+]=C(NCc1oc2ccccc2c1C)N(C)C ZINC000262480415 135118760 /nfs/dbraw/zinc/11/87/60/135118760.db2.gz HVOVNEJITXUMLU-UHFFFAOYSA-N 1 0 245.326 2.378 20 30 BEEDRO C=C(Cl)CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000252970225 135118710 /nfs/dbraw/zinc/11/87/10/135118710.db2.gz WUZLMTYQLNYEPZ-QJPTWQEYSA-N 1 0 228.767 2.249 20 30 BEEDRO C[NH+]=C(NC1CC1)N1CC[C@@H](c2ccccc2)C1 ZINC000262474657 135119053 /nfs/dbraw/zinc/11/90/53/135119053.db2.gz PVNJBMALNYZFPA-CYBMUJFWSA-N 1 0 243.354 2.214 20 30 BEEDRO Cc1cc(CNC2=[NH+]C[C@H](C)N2)ccc1Cl ZINC000262628058 135119376 /nfs/dbraw/zinc/11/93/76/135119376.db2.gz DZVHZJFZRGICAS-VIFPVBQESA-N 1 0 237.734 2.086 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C(C)(C)C)cc2)N1 ZINC000262633364 135119792 /nfs/dbraw/zinc/11/97/92/135119792.db2.gz GFLGTQWJPYCTLU-LLVKDONJSA-N 1 0 245.370 2.421 20 30 BEEDRO Cc1ccc([C@@H](C)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262636417 135120087 /nfs/dbraw/zinc/12/00/87/135120087.db2.gz GYRNZFIQSNIYTN-NWDGAFQWSA-N 1 0 231.343 2.036 20 30 BEEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)Cc2ccccc2)N1 ZINC000262670739 135120338 /nfs/dbraw/zinc/12/03/38/135120338.db2.gz QVEXEUOFYQMRRE-GFCCVEGCSA-N 1 0 245.370 2.193 20 30 BEEDRO C[C@H](CNC1=[NH+]C[C@H](C)N1)Sc1ccccc1 ZINC000262641965 135120737 /nfs/dbraw/zinc/12/07/37/135120737.db2.gz HXNYCPZWEAHZFA-WDEREUQCSA-N 1 0 249.383 2.105 20 30 BEEDRO Cc1oc2ccccc2c1CNC1=[NH+]C[C@H](C)N1 ZINC000262683270 135120988 /nfs/dbraw/zinc/12/09/88/135120988.db2.gz XHWGSJMQKJIVTL-VIFPVBQESA-N 1 0 243.310 2.179 20 30 BEEDRO C[NH+]=C(N[C@@H](C)c1ccc(C)o1)NC1CCC1 ZINC000262791711 135122744 /nfs/dbraw/zinc/12/27/44/135122744.db2.gz OGZDFGNIRBWTKJ-JTQLQIEISA-N 1 0 235.331 2.367 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)N[C@H]1CC1(C)C ZINC000262876983 135122865 /nfs/dbraw/zinc/12/28/65/135122865.db2.gz DXCMBPSIYZGKMC-NSHDSACASA-N 1 0 235.331 2.133 20 30 BEEDRO C[NH+]=C(NCc1cccs1)NC1CCCC1 ZINC000263273871 135126013 /nfs/dbraw/zinc/12/60/13/135126013.db2.gz XURQPWLSVLOQOS-UHFFFAOYSA-N 1 0 237.372 2.356 20 30 BEEDRO CC[C@@H](CCO)C[NH2+]Cc1cc(C#N)cs1 ZINC000087362981 135126833 /nfs/dbraw/zinc/12/68/33/135126833.db2.gz VPROANDUOSCVOW-JTQLQIEISA-N 1 0 238.356 2.118 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCSc1ccccc1 ZINC000264060966 135130935 /nfs/dbraw/zinc/13/09/35/135130935.db2.gz CVTCENNYURTUEM-UHFFFAOYSA-N 1 0 249.383 2.259 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1sccc1C ZINC000264076593 135131689 /nfs/dbraw/zinc/13/16/89/135131689.db2.gz HOXFKTKAKJEGCW-UHFFFAOYSA-N 1 0 223.345 2.037 20 30 BEEDRO CCNC(=[NH2+])NCCSc1ccc(C)cc1 ZINC000264083271 135131764 /nfs/dbraw/zinc/13/17/64/135131764.db2.gz JAFJELSODLYJIH-UHFFFAOYSA-N 1 0 237.372 2.011 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000264076572 135131869 /nfs/dbraw/zinc/13/18/69/135131869.db2.gz HOACNLJRJQMJJN-AAEUAGOBSA-N 1 0 249.358 2.077 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000264076575 135131888 /nfs/dbraw/zinc/13/18/88/135131888.db2.gz HOACNLJRJQMJJN-YPMHNXCESA-N 1 0 249.358 2.077 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCC1(c2ccccc2)CC1 ZINC000264100248 135133238 /nfs/dbraw/zinc/13/32/38/135133238.db2.gz MPCRGYRITNPIJD-GFCCVEGCSA-N 1 0 245.370 2.421 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)c1ccccc1 ZINC000264125641 135134399 /nfs/dbraw/zinc/13/43/99/135134399.db2.gz SENUVJXPHNCPEF-VXGBXAGGSA-N 1 0 233.359 2.493 20 30 BEEDRO N#CCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000258832691 135134663 /nfs/dbraw/zinc/13/46/63/135134663.db2.gz BMVGKCFUEROWOW-UHFFFAOYSA-N 1 0 216.284 2.015 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCc1cc(C)c(O)c(C)c1 ZINC000264136817 135134851 /nfs/dbraw/zinc/13/48/51/135134851.db2.gz ZYSZLFOAMMPMLT-NSHDSACASA-N 1 0 249.358 2.212 20 30 BEEDRO CC[N@H+](CCOC)Cc1ccc(OCC#N)cc1 ZINC000264561026 135138740 /nfs/dbraw/zinc/13/87/40/135138740.db2.gz OHSKQTGDJWLANO-UHFFFAOYSA-N 1 0 248.326 2.057 20 30 BEEDRO N#C[C@@H]1CC[C@@H](N2CC[NH+](C3CCCC3)CC2)C1 ZINC000259795700 135144862 /nfs/dbraw/zinc/14/48/62/135144862.db2.gz UIKRZQOEBMWJAS-UKRRQHHQSA-N 1 0 247.386 2.239 20 30 BEEDRO Cc1ncsc1CC[NH+]1CCC(C#N)CC1 ZINC000265656087 135145772 /nfs/dbraw/zinc/14/57/72/135145772.db2.gz QIEXMVWHNNFEIV-UHFFFAOYSA-N 1 0 235.356 2.230 20 30 BEEDRO CC(C)[C@H](CO)N(CCC#N)Cc1ccccc1 ZINC000266009844 135146950 /nfs/dbraw/zinc/14/69/50/135146950.db2.gz RNYMQZSGCAOVAK-HNNXBMFYSA-N 1 0 246.354 2.419 20 30 BEEDRO N#CCC1CC[NH+](CC2CCOCC2)CC1 ZINC000260130976 135147084 /nfs/dbraw/zinc/14/70/84/135147084.db2.gz RHFQPTGUASJFQZ-UHFFFAOYSA-N 1 0 222.332 2.039 20 30 BEEDRO CCN(CCC#N)Cc1sc(C)nc1C ZINC000267105197 135151737 /nfs/dbraw/zinc/15/17/37/135151737.db2.gz VLZQCFZSPGYRMH-UHFFFAOYSA-N 1 0 223.345 2.496 20 30 BEEDRO C/[NH+]=C(\N(C)C)N1CC[C@@H](c2ccccc2)C1 ZINC000267141836 135151997 /nfs/dbraw/zinc/15/19/97/135151997.db2.gz KRDZVBQXDXDJMG-LTOKCNDWSA-N 1 0 231.343 2.023 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H](C)Cc1cccs1 ZINC000267385102 135153186 /nfs/dbraw/zinc/15/31/86/135153186.db2.gz BJEIEHQDIXISMJ-JTQLQIEISA-N 1 0 239.388 2.241 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCC(C)(C)C#N)CCO1 ZINC000087608483 135158819 /nfs/dbraw/zinc/15/88/19/135158819.db2.gz KYRYISZLPJDSBE-GFCCVEGCSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H]1CC[C@H]1NC(=[NH2+])NC1CCCCC1 ZINC000261531689 135160631 /nfs/dbraw/zinc/16/06/31/135160631.db2.gz HMNNOSYUEPTEOY-MWLCHTKSSA-N 1 0 209.337 2.022 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(OCC#N)cc2)[C@H]1C ZINC000293045387 135179052 /nfs/dbraw/zinc/17/90/52/135179052.db2.gz RCFVZXZLBZAVEN-RYUDHWBXSA-N 1 0 230.311 2.429 20 30 BEEDRO Cc1ccc(C[N@H+](C)CCOCCC#N)s1 ZINC000293041207 135179152 /nfs/dbraw/zinc/17/91/52/135179152.db2.gz JUPXVAQFSBJLHV-UHFFFAOYSA-N 1 0 238.356 2.419 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1conc1CC ZINC000293474161 135180461 /nfs/dbraw/zinc/18/04/61/135180461.db2.gz RHXDCABOTYZZPM-UHFFFAOYSA-N 1 0 206.289 2.082 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+]([C@@H]3CC[C@H](C#N)C3)C2)c1 ZINC000293451790 135180500 /nfs/dbraw/zinc/18/05/00/135180500.db2.gz CPAJKBPSTYXLDO-BFHYXJOUSA-N 1 0 244.342 2.131 20 30 BEEDRO CC(C)[N@H+](CCOCCC#N)Cc1ccco1 ZINC000293620041 135181875 /nfs/dbraw/zinc/18/18/75/135181875.db2.gz WBVHIBFTVYULON-UHFFFAOYSA-N 1 0 236.315 2.420 20 30 BEEDRO CC[C@H](c1ccncc1)[N@H+](C)CCOCCC#N ZINC000293738007 135183648 /nfs/dbraw/zinc/18/36/48/135183648.db2.gz HHVPDNBJTHRFDK-CQSZACIVSA-N 1 0 247.342 2.395 20 30 BEEDRO CS[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000296221664 135191221 /nfs/dbraw/zinc/19/12/21/135191221.db2.gz KDYRYRYMMVWRMP-CQSZACIVSA-N 1 0 231.364 2.475 20 30 BEEDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000296575473 135192125 /nfs/dbraw/zinc/19/21/25/135192125.db2.gz TZCIZIIETFYTFB-WXHSDQCUSA-N 1 0 246.358 2.462 20 30 BEEDRO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000261555853 135196093 /nfs/dbraw/zinc/19/60/93/135196093.db2.gz QCZCKIQLQQKWAH-DGCLKSJQSA-N 1 0 238.375 2.365 20 30 BEEDRO Cc1cnn([C@@H]2CC[N@@H+]([C@H](C)CCC#N)C2)c1 ZINC000298052780 135198061 /nfs/dbraw/zinc/19/80/61/135198061.db2.gz FMBAWGXKWMNKTN-CHWSQXEVSA-N 1 0 232.331 2.131 20 30 BEEDRO N#CCCN1CCC[C@H]1c1ccncc1 ZINC000299717217 135206447 /nfs/dbraw/zinc/20/64/47/135206447.db2.gz RSZQDBYAQBECPK-LBPRGKRZSA-N 1 0 201.273 2.132 20 30 BEEDRO C=CCSCC[NH2+]C1CCSCC1 ZINC000163895354 135209227 /nfs/dbraw/zinc/20/92/27/135209227.db2.gz XBDXUUOYQGJQKZ-UHFFFAOYSA-N 1 0 217.403 2.391 20 30 BEEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1 ZINC000042351388 135221462 /nfs/dbraw/zinc/22/14/62/135221462.db2.gz HLXVLASUVSYZEV-CHWSQXEVSA-N 1 0 246.354 2.336 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc(C(=O)OC)c1 ZINC000121213615 135222499 /nfs/dbraw/zinc/22/24/99/135222499.db2.gz OCEHPCQQIHTRHT-UHFFFAOYSA-N 1 0 219.284 2.091 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2c1OCCO2 ZINC000121198350 135222883 /nfs/dbraw/zinc/22/28/83/135222883.db2.gz DHWRWKMYXUSKPM-UHFFFAOYSA-N 1 0 219.284 2.076 20 30 BEEDRO C=CC[N@@H+](C)C[C@H](O)COc1c(C)cccc1C ZINC000121185799 135222946 /nfs/dbraw/zinc/22/29/46/135222946.db2.gz VMDQWQJTMCJBPT-AWEZNQCLSA-N 1 0 249.354 2.161 20 30 BEEDRO C=CC[N@H+](C)CCCCCn1cccn1 ZINC000121600419 135225021 /nfs/dbraw/zinc/22/50/21/135225021.db2.gz SNOJTWFUEKLULF-UHFFFAOYSA-N 1 0 207.321 2.171 20 30 BEEDRO CCC1CCC(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000261585139 135225773 /nfs/dbraw/zinc/22/57/73/135225773.db2.gz QFWYMKMLFPYIGZ-UNXYVOJBSA-N 1 0 223.364 2.140 20 30 BEEDRO C=CCC(C)(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000340696307 135226166 /nfs/dbraw/zinc/22/61/66/135226166.db2.gz LHGHQLSPICBOER-RYUDHWBXSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CCCC[C@H](C)[NH+]1CCC(OCCO)CC1 ZINC000340947959 135231495 /nfs/dbraw/zinc/23/14/95/135231495.db2.gz JKAFTTYDHHPDQH-ZDUSSCGKSA-N 1 0 241.375 2.205 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000341137638 135233917 /nfs/dbraw/zinc/23/39/17/135233917.db2.gz PGYPMAUZNNGABX-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+]Cc1cccc(COC)c1 ZINC000341326941 135235958 /nfs/dbraw/zinc/23/59/58/135235958.db2.gz ZCXYBHIHXLJTEG-OAHLLOKOSA-N 1 0 249.354 2.107 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000341440511 135238916 /nfs/dbraw/zinc/23/89/16/135238916.db2.gz QEIYJVLYZCLISH-GFCCVEGCSA-N 1 0 248.301 2.334 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000341432674 135238941 /nfs/dbraw/zinc/23/89/41/135238941.db2.gz IYHCFTPBTUZGJZ-JTQLQIEISA-N 1 0 248.301 2.334 20 30 BEEDRO C=C(C)C[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000341508799 135239828 /nfs/dbraw/zinc/23/98/28/135239828.db2.gz TZCKRBOORCAIEP-AWEZNQCLSA-N 1 0 246.354 2.372 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000342052705 135246988 /nfs/dbraw/zinc/24/69/88/135246988.db2.gz UZYRIKRKZYEXMP-YNEHKIRRSA-N 1 0 238.375 2.140 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000261709557 135247465 /nfs/dbraw/zinc/24/74/65/135247465.db2.gz DNEWUBKFAFRGDO-WCFLWFBJSA-N 1 0 231.343 2.245 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000261709552 135247761 /nfs/dbraw/zinc/24/77/61/135247761.db2.gz DNEWUBKFAFRGDO-CYZMBNFOSA-N 1 0 231.343 2.245 20 30 BEEDRO C=CCOCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342075412 135247933 /nfs/dbraw/zinc/24/79/33/135247933.db2.gz XJLVJGCERUKTKB-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO CC#CCC[N@@H+]1C[C@@H]2CCCC[C@]2(C(=O)OC)C1 ZINC000342148110 135250670 /nfs/dbraw/zinc/25/06/70/135250670.db2.gz GSXZCISVYMSZSC-ZFWWWQNUSA-N 1 0 249.354 2.065 20 30 BEEDRO CC#CC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342198600 135252091 /nfs/dbraw/zinc/25/20/91/135252091.db2.gz HGADBBWHPCMNRQ-UHFFFAOYSA-N 1 0 229.279 2.017 20 30 BEEDRO CNC(=[NH2+])N1CCCC2(C1)CCCCCC2 ZINC000261835442 135255968 /nfs/dbraw/zinc/25/59/68/135255968.db2.gz VYMGUDIAQHRXLD-UHFFFAOYSA-N 1 0 223.364 2.367 20 30 BEEDRO CN(C)C(=[NH2+])NCc1cc2ccccc2s1 ZINC000261966603 135267186 /nfs/dbraw/zinc/26/71/86/135267186.db2.gz BLOWOZCANRBFPG-UHFFFAOYSA-N 1 0 233.340 2.278 20 30 BEEDRO C=CCOc1cccc(CN2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000262032257 135275204 /nfs/dbraw/zinc/27/52/04/135275204.db2.gz OEBXBNBZNMHLJT-SWLSCSKDSA-N 1 0 246.354 2.030 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000342557129 135288697 /nfs/dbraw/zinc/28/86/97/135288697.db2.gz NBTQNKCKUULFRA-ZDUSSCGKSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCCN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262200109 135289480 /nfs/dbraw/zinc/28/94/80/135289480.db2.gz KHULEOLGRMOPPA-CQSZACIVSA-N 1 0 234.318 2.348 20 30 BEEDRO [NH2+]=C(NCCC1(F)CCC1)Nc1ccccn1 ZINC000262296234 135291447 /nfs/dbraw/zinc/29/14/47/135291447.db2.gz IVYDLIYHEOCBFO-UHFFFAOYSA-N 1 0 236.294 2.091 20 30 BEEDRO C[NH+]=C(NC1CCC1)NC1CCCCC1 ZINC000262418600 135295996 /nfs/dbraw/zinc/29/59/96/135295996.db2.gz QOFYXLOGPFQKAS-UHFFFAOYSA-N 1 0 209.337 2.037 20 30 BEEDRO CC/[NH+]=C(\N(C)C)N1CC[C@@H](CC(C)C)C1 ZINC000262455485 135300116 /nfs/dbraw/zinc/30/01/16/135300116.db2.gz KXDGEGLSVWBBNW-FWJVZWRSSA-N 1 0 225.380 2.292 20 30 BEEDRO C[C@H]1CC[C@H](CNC(=[NH2+])NCC2CCC2)C1 ZINC000262471475 135300895 /nfs/dbraw/zinc/30/08/95/135300895.db2.gz OZJMMZJMRCYGEA-JQWIXIFHSA-N 1 0 223.364 2.127 20 30 BEEDRO CCC(CC)(CC)CNC1=[NH+]C[C@H](C)N1 ZINC000262477825 135301522 /nfs/dbraw/zinc/30/15/22/135301522.db2.gz CLJUEAVIBRIWNS-JTQLQIEISA-N 1 0 211.353 2.140 20 30 BEEDRO C[N@H+](CCCSCC#N)CC[C@@H]1CCCO1 ZINC000342612733 135304159 /nfs/dbraw/zinc/30/41/59/135304159.db2.gz YXONTFJDMNGSKP-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO C=CCCN(C)Cc1nnc(C2CCC2)n1C ZINC000342742355 135310710 /nfs/dbraw/zinc/31/07/10/135310710.db2.gz VJISLNMAAJZITO-UHFFFAOYSA-N 1 0 234.347 2.091 20 30 BEEDRO C=CCOc1cccc(CN2CC[NH2+][C@H](C)C2)c1 ZINC000262661836 135312111 /nfs/dbraw/zinc/31/21/11/135312111.db2.gz NCVWRUYVJLXNRQ-CYBMUJFWSA-N 1 0 246.354 2.045 20 30 BEEDRO CCC(CC)(CC)CNC1=[NH+]CCN1C ZINC000262681300 135313347 /nfs/dbraw/zinc/31/33/47/135313347.db2.gz WIUROUPNDLPLAR-UHFFFAOYSA-N 1 0 211.353 2.094 20 30 BEEDRO C[C@@H]1CCCC[C@H]1CCNC1=[NH+]CCN1C ZINC000262690285 135313883 /nfs/dbraw/zinc/31/38/83/135313883.db2.gz ZZTUTABOKNDTAB-NEPJUHHUSA-N 1 0 223.364 2.094 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000342717489 135313978 /nfs/dbraw/zinc/31/39/78/135313978.db2.gz FWZRWMHZIXXWED-CHWSQXEVSA-N 1 0 238.375 2.284 20 30 BEEDRO C[NH+]=C(NCc1ccco1)NCc1occc1C ZINC000262716122 135315269 /nfs/dbraw/zinc/31/52/69/135315269.db2.gz RYPFZKJUYKWGRX-UHFFFAOYSA-N 1 0 247.298 2.046 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccccc1OC ZINC000342727456 135315292 /nfs/dbraw/zinc/31/52/92/135315292.db2.gz UIOAMLBFGKXKBU-UHFFFAOYSA-N 1 0 248.326 2.142 20 30 BEEDRO C=CCC[N@@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C ZINC000342732808 135316362 /nfs/dbraw/zinc/31/63/62/135316362.db2.gz DLZBHTDJLBZJTO-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000262772910 135317033 /nfs/dbraw/zinc/31/70/33/135317033.db2.gz VCWARTAXMDYCQJ-NEPJUHHUSA-N 1 0 224.348 2.071 20 30 BEEDRO [NH2+]=C(NC[C@@H]1CCCC(F)(F)C1)NC1CCC1 ZINC000263025695 135327779 /nfs/dbraw/zinc/32/77/79/135327779.db2.gz AOAIYDRTIIBHJE-SECBINFHSA-N 1 0 245.317 2.269 20 30 BEEDRO C[C@@H]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@H]1C ZINC000263058336 135329800 /nfs/dbraw/zinc/32/98/00/135329800.db2.gz FGDRCLURXVZQST-GRYCIOLGSA-N 1 0 223.364 2.079 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CCC1)NC1CCCCC1 ZINC000263067284 135330582 /nfs/dbraw/zinc/33/05/82/135330582.db2.gz OJXKCYZIZUYOFH-QWHCGFSZSA-N 1 0 235.375 2.412 20 30 BEEDRO CCSc1cccc(CNC(=[NH2+])N2CCC2)c1 ZINC000263073318 135331065 /nfs/dbraw/zinc/33/10/65/135331065.db2.gz GYYLZECLZPMGLO-UHFFFAOYSA-N 1 0 249.383 2.319 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@]1(F)c1ccccc1 ZINC000263080367 135331172 /nfs/dbraw/zinc/33/11/72/135331172.db2.gz ROLXAIHXRTZAMQ-ZKYQVNSYSA-N 1 0 249.333 2.327 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CCCCC1)NC1CCC1 ZINC000263081053 135331201 /nfs/dbraw/zinc/33/12/01/135331201.db2.gz HQQNADUKLLJPDG-QWHCGFSZSA-N 1 0 235.375 2.412 20 30 BEEDRO C[C@@H]1CCC[C@H](CNC2=[NH+]CCCN2C)[C@@H]1C ZINC000263075553 135331300 /nfs/dbraw/zinc/33/13/00/135331300.db2.gz HDQHHNVZQMZTFV-JHJVBQTASA-N 1 0 237.391 2.340 20 30 BEEDRO CC(C)[C@@]1(C)C[C@H]1NC(=[NH2+])Nc1ccccn1 ZINC000263086951 135332285 /nfs/dbraw/zinc/33/22/85/135332285.db2.gz IMBXKDHTCLRHNV-ZWNOBZJWSA-N 1 0 232.331 2.243 20 30 BEEDRO [NH2+]=C(NCC[C@@H]1CCc2ccccc21)N1CCC1 ZINC000263098843 135332480 /nfs/dbraw/zinc/33/24/80/135332480.db2.gz JTVLTAHPAVCPPZ-ZDUSSCGKSA-N 1 0 243.354 2.127 20 30 BEEDRO Cc1cscc1CNC(=[NH2+])NC1CCC1 ZINC000263098829 135332774 /nfs/dbraw/zinc/33/27/74/135332774.db2.gz JTNMVERFDYQNJO-UHFFFAOYSA-N 1 0 223.345 2.013 20 30 BEEDRO [NH2+]=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)N1CCC1 ZINC000263098708 135332818 /nfs/dbraw/zinc/33/28/18/135332818.db2.gz JRIDWWOSRIBWLZ-AULYBMBSSA-N 1 0 247.317 2.092 20 30 BEEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CCC1)NC1CCCC1 ZINC000263109609 135333306 /nfs/dbraw/zinc/33/33/06/135333306.db2.gz YLLDFXJVDVPOEI-NWDGAFQWSA-N 1 0 221.348 2.022 20 30 BEEDRO Cc1cc(CNC(=[NH2+])N2CCC2)ccc1Cl ZINC000263153129 135335445 /nfs/dbraw/zinc/33/54/45/135335445.db2.gz PPVGKFUDDDNCOC-UHFFFAOYSA-N 1 0 237.734 2.169 20 30 BEEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@H]1C1CC1 ZINC000263159300 135336591 /nfs/dbraw/zinc/33/65/91/135336591.db2.gz QLIMIHIZRSBPNF-OLZOCXBDSA-N 1 0 235.375 2.293 20 30 BEEDRO [NH2+]=C(NC[C@H]1CCC[C@H]1C1CC1)NC1CCC1 ZINC000263207842 135339402 /nfs/dbraw/zinc/33/94/02/135339402.db2.gz YOJYEULTJPBKMV-YPMHNXCESA-N 1 0 235.375 2.270 20 30 BEEDRO CN(C)C(=[NH+]CC1CCCCCC1)N(C)C ZINC000263209168 135339670 /nfs/dbraw/zinc/33/96/70/135339670.db2.gz YTSUTWNYUZXJLR-UHFFFAOYSA-N 1 0 225.380 2.436 20 30 BEEDRO [NH2+]=C(NC[C@@H]1C[C@H]1c1ccccc1)NC1CCC1 ZINC000263215502 135340418 /nfs/dbraw/zinc/34/04/18/135340418.db2.gz ZWEDYTOTRHWNCU-JSGCOSHPSA-N 1 0 243.354 2.247 20 30 BEEDRO CC(C)C[C@@H]1C[C@H]1NC(=[NH2+])N1CCC[C@H](C)C1 ZINC000263214854 135340499 /nfs/dbraw/zinc/34/04/99/135340499.db2.gz ZRGCVKVDVNBMJT-YNEHKIRRSA-N 1 0 237.391 2.468 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263235616 135341747 /nfs/dbraw/zinc/34/17/47/135341747.db2.gz DKELYEYDLIFEOT-VHSXEESVSA-N 1 0 209.337 2.022 20 30 BEEDRO CC[NH+]=C(NC1CC1)N1CCc2ccccc21 ZINC000263243151 135342064 /nfs/dbraw/zinc/34/20/64/135342064.db2.gz LWHYCMLZPLKEIJ-UHFFFAOYSA-N 1 0 229.327 2.177 20 30 BEEDRO C[C@H]1CCCN(C(=[NH2+])N[C@@H]2CC23CCCC3)C1 ZINC000263271142 135343340 /nfs/dbraw/zinc/34/33/40/135343340.db2.gz PBKNCDSTSFDTMZ-NWDGAFQWSA-N 1 0 235.375 2.366 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N[C@@H]1CC12CCCC2 ZINC000263273404 135343443 /nfs/dbraw/zinc/34/34/43/135343443.db2.gz PTCPIROBJJVQAO-GFCCVEGCSA-N 1 0 247.342 2.277 20 30 BEEDRO [NH2+]=C(Nc1ccccn1)N[C@H]1CC12CCCC2 ZINC000263280162 135344205 /nfs/dbraw/zinc/34/42/05/135344205.db2.gz RTJPDWDLYYAGRM-JTQLQIEISA-N 1 0 230.315 2.141 20 30 BEEDRO Cc1nccn1CC[NH2+]CC(C)(C)CCC#N ZINC000266208413 135363148 /nfs/dbraw/zinc/36/31/48/135363148.db2.gz NOCDXJGVAVXFAS-UHFFFAOYSA-N 1 0 234.347 2.111 20 30 BEEDRO COc1ccsc1C[NH2+]CCCC#N ZINC000273011553 135365647 /nfs/dbraw/zinc/36/56/47/135365647.db2.gz CDTMFRJYAOZCIP-UHFFFAOYSA-N 1 0 210.302 2.150 20 30 BEEDRO Cc1cc(O)c(C[NH2+]CCCC#N)cc1C ZINC000273096980 135365694 /nfs/dbraw/zinc/36/56/94/135365694.db2.gz UXPSAWRTABEJNT-UHFFFAOYSA-N 1 0 218.300 2.402 20 30 BEEDRO N#CCCC[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000273006478 135366139 /nfs/dbraw/zinc/36/61/39/135366139.db2.gz AZMLDTCYHLUTTO-UHFFFAOYSA-N 1 0 228.217 2.497 20 30 BEEDRO N#CCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000273064540 135366172 /nfs/dbraw/zinc/36/61/72/135366172.db2.gz NGENVJIZVVASJL-UHFFFAOYSA-N 1 0 225.273 2.050 20 30 BEEDRO Cc1nc(F)ccc1C[NH2+]CCCCC#N ZINC000278307830 135368449 /nfs/dbraw/zinc/36/84/49/135368449.db2.gz CTSWXWWGLSGGBA-UHFFFAOYSA-N 1 0 221.279 2.313 20 30 BEEDRO C=C(C)C[NH2+]Cc1cn(C(C)C)nc1C ZINC000281147667 135369819 /nfs/dbraw/zinc/36/98/19/135369819.db2.gz FFTFJECVEZTPHI-UHFFFAOYSA-N 1 0 207.321 2.438 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000281239795 135369957 /nfs/dbraw/zinc/36/99/57/135369957.db2.gz LSHUWWFCWOWLOQ-JTQLQIEISA-N 1 0 236.315 2.246 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000284342807 135371548 /nfs/dbraw/zinc/37/15/48/135371548.db2.gz RGYKNRRHZZGGBE-KBPBESRZSA-N 1 0 216.328 2.207 20 30 BEEDRO CC[N@@H+]1C[C@H](C)N(Cc2ccc(C#N)o2)C[C@H]1C ZINC000334366266 135374104 /nfs/dbraw/zinc/37/41/04/135374104.db2.gz IZZVHWVDXMYJEY-NEPJUHHUSA-N 1 0 247.342 2.066 20 30 BEEDRO CC#CC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292331227 135375839 /nfs/dbraw/zinc/37/58/39/135375839.db2.gz GBNOCRIDZPFGNH-MFKMUULPSA-N 1 0 235.352 2.363 20 30 BEEDRO COc1ccc(F)c(C[NH2+]CCCC#N)c1 ZINC000293365913 135376960 /nfs/dbraw/zinc/37/69/60/135376960.db2.gz VAHWUNLKUAWAAO-UHFFFAOYSA-N 1 0 222.263 2.228 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H](C)[C@@H](C)CC=C ZINC000294869053 135377664 /nfs/dbraw/zinc/37/76/64/135377664.db2.gz COWNPCVWQFDUQF-UONOGXRCSA-N 1 0 222.376 2.132 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CCc2ccccc21 ZINC000295115343 135379149 /nfs/dbraw/zinc/37/91/49/135379149.db2.gz XVMOVVCDFXRAJB-INIZCTEOSA-N 1 0 242.366 2.219 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCc1nccnc1C ZINC000295028579 135379328 /nfs/dbraw/zinc/37/93/28/135379328.db2.gz OHIODHMREBBEKG-LLVKDONJSA-N 1 0 219.332 2.272 20 30 BEEDRO C=CCOc1ccccc1C[NH2+][C@H](C)[C@@H](C)CO ZINC000077422210 135392155 /nfs/dbraw/zinc/39/21/55/135392155.db2.gz JBXGOBGZIHGPQI-QWHCGFSZSA-N 1 0 249.354 2.358 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH+]2CCC(CC#N)CC2)O1 ZINC000335697772 135422237 /nfs/dbraw/zinc/42/22/37/135422237.db2.gz NROGHZMOPTVOBU-YPMHNXCESA-N 1 0 222.332 2.180 20 30 BEEDRO CC(C)C1([NH2+]CCCSCC#N)CC1 ZINC000339513110 135430313 /nfs/dbraw/zinc/43/03/13/135430313.db2.gz JRHRAEWETYQYDG-UHFFFAOYSA-N 1 0 212.362 2.411 20 30 BEEDRO C[C@@H](C[NH2+]CC(C)(C)CCC#N)C[C@H](C)O ZINC000164649062 135431511 /nfs/dbraw/zinc/43/15/11/135431511.db2.gz MPCICZKDMHPRQO-NEPJUHHUSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)[C@H](CO)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000348293472 135486327 /nfs/dbraw/zinc/48/63/27/135486327.db2.gz PGZSWLPCEVFNDI-DOMZBBRYSA-N 1 0 246.354 2.473 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1ncnn1C(C)(C)C ZINC000282866553 135527659 /nfs/dbraw/zinc/52/76/59/135527659.db2.gz UYASPOHRJAGSEU-LLVKDONJSA-N 1 0 236.363 2.477 20 30 BEEDRO C=CCN(Cc1ccccc1)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000192006773 135556035 /nfs/dbraw/zinc/55/60/35/135556035.db2.gz RAIHJUYKZZSWDU-QWHCGFSZSA-N 1 0 246.354 2.185 20 30 BEEDRO CSC1(CNC(=[NH2+])NC2CCCCC2)CC1 ZINC000193301135 135592844 /nfs/dbraw/zinc/59/28/44/135592844.db2.gz OGPRUHXPKYXGFU-UHFFFAOYSA-N 1 0 241.404 2.119 20 30 BEEDRO CC1(C)CCC[NH2+][C@@H]1CNc1ccc(C#N)nc1 ZINC000232887390 135674221 /nfs/dbraw/zinc/67/42/21/135674221.db2.gz YJJKNSRTZGGOFA-CYBMUJFWSA-N 1 0 244.342 2.143 20 30 BEEDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1 ZINC000343775441 135689963 /nfs/dbraw/zinc/68/99/63/135689963.db2.gz WCVXHRGEXZXXER-OAHLLOKOSA-N 1 0 243.354 2.132 20 30 BEEDRO CC[C@H](C[C@@H](C)CO)[NH2+]Cc1cccc(C#N)c1 ZINC000344596217 135786390 /nfs/dbraw/zinc/78/63/90/135786390.db2.gz AUAZVHLVHDIHOB-IUODEOHRSA-N 1 0 246.354 2.445 20 30 BEEDRO N#CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000346805705 135972028 /nfs/dbraw/zinc/97/20/28/135972028.db2.gz ZKHOIYGJMRUUQM-YNEHKIRRSA-N 1 0 234.343 2.227 20 30 BEEDRO N#CCC[N@H+](CC1CC1)CC1CCC(=O)CC1 ZINC000347737079 136005143 /nfs/dbraw/zinc/00/51/43/136005143.db2.gz LIXDINSKIFADIR-UHFFFAOYSA-N 1 0 234.343 2.371 20 30 BEEDRO CC#CC[NH2+][C@@H](CC(=O)OC)C1CCCCC1 ZINC000347970153 136017972 /nfs/dbraw/zinc/01/79/72/136017972.db2.gz WLDQZUWBNGIXEF-ZDUSSCGKSA-N 1 0 237.343 2.111 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000348023413 136022800 /nfs/dbraw/zinc/02/28/00/136022800.db2.gz BALWDGQQHVJBCG-ZDUSSCGKSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CCOCCC[NH+]1CCC(CCCO)CC1 ZINC000348059112 136024334 /nfs/dbraw/zinc/02/43/34/136024334.db2.gz VROQQYQIBCIMHM-UHFFFAOYSA-N 1 0 241.375 2.064 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000348065097 136025480 /nfs/dbraw/zinc/02/54/80/136025480.db2.gz YXGKBOYRBJBDGA-AWEZNQCLSA-N 1 0 249.358 2.150 20 30 BEEDRO C=CCOCCC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000348036532 136028317 /nfs/dbraw/zinc/02/83/17/136028317.db2.gz PNLMJHXVUIYXRO-NWDGAFQWSA-N 1 0 229.389 2.405 20 30 BEEDRO C=CCOCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000348036580 136028396 /nfs/dbraw/zinc/02/83/96/136028396.db2.gz PSCJLHWNSFWOOG-NSHDSACASA-N 1 0 215.362 2.016 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOC2(CCCC2)C1 ZINC000348039110 136028470 /nfs/dbraw/zinc/02/84/70/136028470.db2.gz URBDBCUUPSVBTO-UHFFFAOYSA-N 1 0 239.359 2.224 20 30 BEEDRO C=CCOCCC[N@H+]1CCc2ccc(O)cc2C1 ZINC000348042777 136029067 /nfs/dbraw/zinc/02/90/67/136029067.db2.gz ZPFVGYLUORSWPC-UHFFFAOYSA-N 1 0 247.338 2.343 20 30 BEEDRO C=CCOCCC[N@@H+]1CCOCC12CCCC2 ZINC000348050277 136030669 /nfs/dbraw/zinc/03/06/69/136030669.db2.gz LYFHNQCPKMZDHO-UHFFFAOYSA-N 1 0 239.359 2.224 20 30 BEEDRO C=CCOCCC[N@@H+](C)CCC(F)(F)F ZINC000348049664 136030681 /nfs/dbraw/zinc/03/06/81/136030681.db2.gz IYDLSEGJDJTTSL-UHFFFAOYSA-N 1 0 225.254 2.463 20 30 BEEDRO C=CCOCCC[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000348085228 136034950 /nfs/dbraw/zinc/03/49/50/136034950.db2.gz LXWOBIFQPKHUOQ-CQSZACIVSA-N 1 0 241.375 2.064 20 30 BEEDRO C=CCOCCC[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000348105757 136036721 /nfs/dbraw/zinc/03/67/21/136036721.db2.gz QQZMVXWSMZSKEY-CHWSQXEVSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCOCCC[N@H+]1CCSCC[C@@H]1C ZINC000348186460 136037814 /nfs/dbraw/zinc/03/78/14/136037814.db2.gz RRGQYACPJZDCOX-LBPRGKRZSA-N 1 0 229.389 2.407 20 30 BEEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)o1 ZINC000335325001 136051434 /nfs/dbraw/zinc/05/14/34/136051434.db2.gz DADHJWJHKSAGDG-BXUZGUMPSA-N 1 0 246.310 2.152 20 30 BEEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@@H](C2CC2)C1 ZINC000348231182 136061056 /nfs/dbraw/zinc/06/10/56/136061056.db2.gz OAOUBGIHXANFNW-TZMCWYRMSA-N 1 0 239.359 2.078 20 30 BEEDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccc(C#N)c(F)c1 ZINC000348296931 136062807 /nfs/dbraw/zinc/06/28/07/136062807.db2.gz YGNUBTFXAAXMAF-WDEREUQCSA-N 1 0 249.333 2.298 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2cn3ccsc3n2)C1 ZINC000335387859 136089819 /nfs/dbraw/zinc/08/98/19/136089819.db2.gz OUTVELOSWBMVGN-UWVGGRQHSA-N 1 0 246.339 2.178 20 30 BEEDRO Cn1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1C#N ZINC000335389976 136090389 /nfs/dbraw/zinc/09/03/89/136090389.db2.gz YPBUIOCMJXIWPZ-NEPJUHHUSA-N 1 0 235.306 2.267 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CO1 ZINC000335391553 136090849 /nfs/dbraw/zinc/09/08/49/136090849.db2.gz YSIXKMHWCDYDTF-CQLXCSJHSA-N 1 0 222.332 2.226 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CC(C)(C(N)=O)C1 ZINC000335398143 136093306 /nfs/dbraw/zinc/09/33/06/136093306.db2.gz RZFWIPIKYRVXPQ-SNVBAGLBSA-N 1 0 243.310 2.476 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccncc2F)C1 ZINC000335560225 136105944 /nfs/dbraw/zinc/10/59/44/136105944.db2.gz IBTZTVFHIYSEOU-GXSJLCMTSA-N 1 0 219.263 2.003 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[C@@H](CO)C2)C1 ZINC000348680035 136113294 /nfs/dbraw/zinc/11/32/94/136113294.db2.gz JEDVXFOYBBEWJK-RQJABVFESA-N 1 0 236.359 2.067 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC000051924442 322852210 /nfs/dbraw/zinc/85/22/10/322852210.db2.gz WGMMNYAQQXKJGL-UHFFFAOYSA-N 1 0 230.311 2.074 20 30 BEEDRO C#CC1CC[NH+]([C@H](C)CCCC#N)CC1 ZINC001172499374 974851921 /nfs/dbraw/zinc/85/19/21/974851921.db2.gz WLORWYRVULZNPN-GFCCVEGCSA-N 1 0 204.317 2.414 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cncs1 ZINC000280766937 397746104 /nfs/dbraw/zinc/74/61/04/397746104.db2.gz ZFWOQNKMCRPFQY-PWSUYJOCSA-N 1 0 238.356 2.214 20 30 BEEDRO C#C[C@H](CCC)NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000491668044 397849120 /nfs/dbraw/zinc/84/91/20/397849120.db2.gz NSXRICFZVUMATR-VXGBXAGGSA-N 1 0 221.348 2.045 20 30 BEEDRO N#CCC1(C[NH2+]Cc2ccc(C#N)s2)CC1 ZINC000309601853 397866237 /nfs/dbraw/zinc/86/62/37/397866237.db2.gz WTZXVELRVCTGES-UHFFFAOYSA-N 1 0 231.324 2.403 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1cc(C#N)ccc1F ZINC000491748942 397867318 /nfs/dbraw/zinc/86/73/18/397867318.db2.gz FJGMBHIWQCVGGZ-SNVBAGLBSA-N 1 0 216.259 2.151 20 30 BEEDRO CN(C)C(=[NH2+])NCCc1cccc2ccccc21 ZINC000170903828 397825464 /nfs/dbraw/zinc/82/54/64/397825464.db2.gz KSPXLOPGHROXQR-UHFFFAOYSA-N 1 0 241.338 2.259 20 30 BEEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151529 397944542 /nfs/dbraw/zinc/94/45/42/397944542.db2.gz NAYXMDAQODPIHF-OLZOCXBDSA-N 1 0 222.332 2.082 20 30 BEEDRO C[C@H](Cn1cccn1)[NH2+]C1CCC(C)(C#N)CC1 ZINC000449075044 397951583 /nfs/dbraw/zinc/95/15/83/397951583.db2.gz MEKSMDCOLBGZER-IYXRBSQSSA-N 1 0 246.358 2.334 20 30 BEEDRO C=C(Cl)C[NH2+]Cc1cc(OC)ccc1O ZINC000162978923 397961280 /nfs/dbraw/zinc/96/12/80/397961280.db2.gz SCCCCCYYSBITSD-UHFFFAOYSA-N 1 0 227.691 2.243 20 30 BEEDRO COCC#CC[N@@H+]1CCCc2ccccc2CC1 ZINC000650101982 397923417 /nfs/dbraw/zinc/92/34/17/397923417.db2.gz NIBWJRBSNKQHHX-UHFFFAOYSA-N 1 0 243.350 2.127 20 30 BEEDRO COC[C@H](CC(C)C)[NH2+]CC1(C#N)CCC1 ZINC000418140285 397990041 /nfs/dbraw/zinc/99/00/41/397990041.db2.gz JFPPZWDFZYUNQC-LBPRGKRZSA-N 1 0 224.348 2.331 20 30 BEEDRO C=C(C)COCC[NH2+][C@H]1CS[C@H](C)C1 ZINC000168600815 398000700 /nfs/dbraw/zinc/00/07/00/398000700.db2.gz VPTBXCIUGRSZBT-GHMZBOCLSA-N 1 0 215.362 2.063 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000645944872 398005542 /nfs/dbraw/zinc/00/55/42/398005542.db2.gz RVUZMYQTCCENGB-CHWSQXEVSA-N 1 0 209.333 2.288 20 30 BEEDRO N#CCCCC[NH2+][C@H](CCO)c1ccccc1 ZINC000271727181 397971264 /nfs/dbraw/zinc/97/12/64/397971264.db2.gz XTEHXIUZACKNGO-CQSZACIVSA-N 1 0 232.327 2.394 20 30 BEEDRO CC1(C)C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CO1 ZINC000595047153 397979929 /nfs/dbraw/zinc/97/99/29/397979929.db2.gz AOUGYWUCSUXHKK-WOPDTQHZSA-N 1 0 222.332 2.226 20 30 BEEDRO CC[C@@H]1CN(CC)CC[N@@H+]1CCCCC#N ZINC000451734051 397982098 /nfs/dbraw/zinc/98/20/98/397982098.db2.gz WIYZJZAQHDDBDC-CYBMUJFWSA-N 1 0 223.364 2.096 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000650204828 397984299 /nfs/dbraw/zinc/98/42/99/397984299.db2.gz RHOGUGGRPDIQTB-GARJFASQSA-N 1 0 249.276 2.033 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1ccc(C)nc1C ZINC000491675301 398059509 /nfs/dbraw/zinc/05/95/09/398059509.db2.gz LWKLSGZKHUIWRV-NSHDSACASA-N 1 0 202.301 2.152 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185858394 398060919 /nfs/dbraw/zinc/06/09/19/398060919.db2.gz LUUWYTABNMKVAZ-CHWSQXEVSA-N 1 0 222.332 2.251 20 30 BEEDRO CC[C@H](CCO)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185863132 398060951 /nfs/dbraw/zinc/06/09/51/398060951.db2.gz KRHBCBNYSBHGBU-AGIUHOORSA-N 1 0 224.348 2.067 20 30 BEEDRO C#CC[N@H+](CCc1cn[nH]c1)C1CCCCC1 ZINC000491704932 398061713 /nfs/dbraw/zinc/06/17/13/398061713.db2.gz UZCRCBNTYDYXHO-UHFFFAOYSA-N 1 0 231.343 2.220 20 30 BEEDRO C[N@H+](CC#Cc1ccccc1)C[C@H]1CCCOC1 ZINC000192015051 398062431 /nfs/dbraw/zinc/06/24/31/398062431.db2.gz HVOXZHNUUWYAFU-MRXNPFEDSA-N 1 0 243.350 2.397 20 30 BEEDRO C[C@H](CC1CCC1)[NH2+]C1CCN(CC#N)CC1 ZINC000610812605 398071315 /nfs/dbraw/zinc/07/13/15/398071315.db2.gz CWSPAPUGGVVUHX-GFCCVEGCSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000610813098 398071699 /nfs/dbraw/zinc/07/16/99/398071699.db2.gz ZRUQSRQRNFQYEP-QWHCGFSZSA-N 1 0 235.375 2.165 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NCC(C)C)c1ccc(F)cc1 ZINC000491800600 398074214 /nfs/dbraw/zinc/07/42/14/398074214.db2.gz AKANVBOMHKGWPR-ZDUSSCGKSA-N 1 0 247.317 2.270 20 30 BEEDRO CCC1(C)C[NH+](C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000291994868 398074921 /nfs/dbraw/zinc/07/49/21/398074921.db2.gz UUFBJDZOGXIHCG-CQSZACIVSA-N 1 0 244.338 2.324 20 30 BEEDRO Cn1cc(CCC[NH2+]CC2(C#N)CCCC2)cn1 ZINC000602699798 398078375 /nfs/dbraw/zinc/07/83/75/398078375.db2.gz OSWJACBYJIAYGT-UHFFFAOYSA-N 1 0 246.358 2.026 20 30 BEEDRO C=C(CC)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000564860409 398078680 /nfs/dbraw/zinc/07/86/80/398078680.db2.gz QSFZXOJPGRIKLU-AWEZNQCLSA-N 1 0 219.328 2.146 20 30 BEEDRO Cc1ccnc(NCC[C@@H](C)[NH+](C)C)c1C#N ZINC000596433860 398083426 /nfs/dbraw/zinc/08/34/26/398083426.db2.gz VAAOYVQODFLPBQ-LLVKDONJSA-N 1 0 232.331 2.014 20 30 BEEDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000443983370 398086029 /nfs/dbraw/zinc/08/60/29/398086029.db2.gz CUNWCSOWDZVLTL-BWPKMQGJSA-N 1 0 244.338 2.283 20 30 BEEDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000293006382 398086284 /nfs/dbraw/zinc/08/62/84/398086284.db2.gz HWUKROXWFXJAIV-LBPRGKRZSA-N 1 0 247.317 2.085 20 30 BEEDRO C[C@H]1CSC[C@H]1[NH2+]CC(C)(C)CC#N ZINC000459728099 398056323 /nfs/dbraw/zinc/05/63/23/398056323.db2.gz HTWQPOMTUWYOGH-VHSXEESVSA-N 1 0 212.362 2.267 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC(C)(C)OC[C@H]1CC ZINC000649716163 398058193 /nfs/dbraw/zinc/05/81/93/398058193.db2.gz VUVWSCQHBWYOOO-CHWSQXEVSA-N 1 0 241.375 2.203 20 30 BEEDRO CC[NH+](CC)CCCNc1ccc(C#N)c(C)n1 ZINC000291574213 398099078 /nfs/dbraw/zinc/09/90/78/398099078.db2.gz FHMMJVUVGYTOJS-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CC2(F)F)CC1 ZINC000649773755 398096997 /nfs/dbraw/zinc/09/69/97/398096997.db2.gz FHLDYXLHYIAVBS-SNVBAGLBSA-N 1 0 231.286 2.045 20 30 BEEDRO CC(C)CC[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000609485263 398111660 /nfs/dbraw/zinc/11/16/60/398111660.db2.gz LZZNDTUKOHKEFN-AWEZNQCLSA-N 1 0 237.391 2.198 20 30 BEEDRO CC#CC[N@@H+](C)Cc1cccc(COC)c1 ZINC000293137838 398112878 /nfs/dbraw/zinc/11/28/78/398112878.db2.gz NGWVVKYYSQNLFU-UHFFFAOYSA-N 1 0 217.312 2.288 20 30 BEEDRO CCC(O)(CC)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336740786 398123697 /nfs/dbraw/zinc/12/36/97/398123697.db2.gz QNAXJARTYWJQOG-RYUDHWBXSA-N 1 0 224.348 2.209 20 30 BEEDRO CC[C@H](CC#N)NC1CC[NH+](CC2CC2)CC1 ZINC000545168076 398131762 /nfs/dbraw/zinc/13/17/62/398131762.db2.gz UTNAGGIWKUKWBL-CYBMUJFWSA-N 1 0 235.375 2.143 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1snnc1C ZINC000293782805 398127506 /nfs/dbraw/zinc/12/75/06/398127506.db2.gz UBAACJGVMFUYSE-MRVPVSSYSA-N 1 0 211.334 2.291 20 30 BEEDRO C=CCC[C@@H]1CCC[N@H+]1Cc1cc(=O)c(O)co1 ZINC001648526170 1172842638 /nfs/dbraw/zinc/84/26/38/1172842638.db2.gz OHBJJOWXQSOQDA-LLVKDONJSA-N 1 0 249.310 2.276 20 30 BEEDRO C=CCC[C@H]1CCC[N@@H+]1C[C@@H]1CCc2ncnn21 ZINC001648526721 1172841742 /nfs/dbraw/zinc/84/17/42/1172841742.db2.gz ZGCBEGLPGFOUPI-STQMWFEESA-N 1 0 246.358 2.196 20 30 BEEDRO C#CCC[NH2+][C@]1(CO)CC[C@H](C)c2ccccc21 ZINC001648616823 1172855544 /nfs/dbraw/zinc/85/55/44/1172855544.db2.gz HDUYKDGVKFDNBI-BBRMVZONSA-N 1 0 243.350 2.384 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597292 487562263 /nfs/dbraw/zinc/56/22/63/487562263.db2.gz YGIMAHDNFWXUPS-CYBMUJFWSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@H]([NH2+]Cc1cnc[nH]1)c1ccncc1 ZINC001649805373 1172880475 /nfs/dbraw/zinc/88/04/75/1172880475.db2.gz CRIUESKUULQVCR-ZDUSSCGKSA-N 1 0 228.299 2.212 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1c(C)noc1C ZINC000680381780 487580270 /nfs/dbraw/zinc/58/02/70/487580270.db2.gz LFGLCNFUQYSDNR-CABZTGNLSA-N 1 0 238.331 2.269 20 30 BEEDRO CCCCN(O)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001651229180 1172933797 /nfs/dbraw/zinc/93/37/97/1172933797.db2.gz GIXDTMZZHAPZAW-GFCCVEGCSA-N 1 0 242.363 2.269 20 30 BEEDRO C#CCC[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000271740760 166148157 /nfs/dbraw/zinc/14/81/57/166148157.db2.gz CEVHVGLHEZURCQ-UHFFFAOYSA-N 1 0 210.280 2.160 20 30 BEEDRO C[C@@H](O)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC001651644470 1172968634 /nfs/dbraw/zinc/96/86/34/1172968634.db2.gz XOPPRIHAYSBXDP-LLVKDONJSA-N 1 0 226.364 2.313 20 30 BEEDRO C[C@H](O)C(C)(C)C[NH2+]CC(C)(C)CCC#N ZINC001651644471 1172969677 /nfs/dbraw/zinc/96/96/77/1172969677.db2.gz XOPPRIHAYSBXDP-NSHDSACASA-N 1 0 226.364 2.313 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc(C)s1 ZINC000150732125 166127168 /nfs/dbraw/zinc/12/71/68/166127168.db2.gz SRSYOJHHZWMTOF-UHFFFAOYSA-N 1 0 208.330 2.345 20 30 BEEDRO C#CCCC[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000272995790 166127486 /nfs/dbraw/zinc/12/74/86/166127486.db2.gz ROOTWEITCGDAPA-UHFFFAOYSA-N 1 0 231.339 2.203 20 30 BEEDRO C#CCCC[N@@H+](CCCO)Cc1ccccc1 ZINC000271006128 166128091 /nfs/dbraw/zinc/12/80/91/166128091.db2.gz HAOUHEXOUOTFGP-UHFFFAOYSA-N 1 0 231.339 2.284 20 30 BEEDRO C#CCCC[N@@H+](C)CCOc1ccc(OC)cc1 ZINC000271035885 166128682 /nfs/dbraw/zinc/12/86/82/166128682.db2.gz LSXBUWSXMBPVSG-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C#CCCC[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000271032657 166128837 /nfs/dbraw/zinc/12/88/37/166128837.db2.gz LFHNZOSZTJSXQZ-OAHLLOKOSA-N 1 0 231.339 2.455 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178058526 166132420 /nfs/dbraw/zinc/13/24/20/166132420.db2.gz KZZWLCJEYZCSDT-PXAZEXFGSA-N 1 0 249.379 2.488 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178058507 166132885 /nfs/dbraw/zinc/13/28/85/166132885.db2.gz KZZWLCJEYZCSDT-SJCJKPOMSA-N 1 0 249.379 2.488 20 30 BEEDRO C#CCCC[NH2+][C@@H](CCOC)c1ccco1 ZINC000273320064 166133449 /nfs/dbraw/zinc/13/34/49/166133449.db2.gz WNVLDPRJMXGCDH-LBPRGKRZSA-N 1 0 221.300 2.360 20 30 BEEDRO C#CCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000271356670 166134643 /nfs/dbraw/zinc/13/46/43/166134643.db2.gz IGBGXQBRDGALSJ-CYBMUJFWSA-N 1 0 202.301 2.488 20 30 BEEDRO C#CCC[N@@H+](CC)CCc1nccs1 ZINC000270472586 166134978 /nfs/dbraw/zinc/13/49/78/166134978.db2.gz CCTNTWKFXVPONU-UHFFFAOYSA-N 1 0 208.330 2.031 20 30 BEEDRO C#CCC[N@H+](C)CCCOc1ccccc1 ZINC000268702657 166135175 /nfs/dbraw/zinc/13/51/75/166135175.db2.gz KPFFELPLSJHVMN-UHFFFAOYSA-N 1 0 217.312 2.411 20 30 BEEDRO C#CCC[N@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000270533362 166137696 /nfs/dbraw/zinc/13/76/96/166137696.db2.gz FZJVBLXUEPTCJR-OAHLLOKOSA-N 1 0 242.366 2.216 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccccc2F)CCC[NH2+]1 ZINC000662433637 409715876 /nfs/dbraw/zinc/71/58/76/409715876.db2.gz MXMXHHFYSNWUBI-CQSZACIVSA-N 1 0 248.301 2.463 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000653136820 409856505 /nfs/dbraw/zinc/85/65/05/409856505.db2.gz JSNKQMOGLZYWOG-QWHCGFSZSA-N 1 0 238.375 2.176 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000653129416 409842659 /nfs/dbraw/zinc/84/26/59/409842659.db2.gz SJDMJEIETXDOIM-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2ccc(C)cn2)CCC[NH2+]1 ZINC000662658901 409819852 /nfs/dbraw/zinc/81/98/52/409819852.db2.gz LWNBBHOICISYAZ-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@@H]1CCCN(C(=O)C2([NH3+])CCCC2)C1 ZINC000662858187 409957516 /nfs/dbraw/zinc/95/75/16/409957516.db2.gz VZAQVBFNAFQVBR-GFCCVEGCSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CCCC(C)(C)NC(=O)c1ccc(C[NH3+])o1 ZINC000662954312 409988212 /nfs/dbraw/zinc/98/82/12/409988212.db2.gz ULVRDYUBDHECED-UHFFFAOYSA-N 1 0 236.315 2.213 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662831726 409940827 /nfs/dbraw/zinc/94/08/27/409940827.db2.gz OILJHUCEXLETMU-LBPRGKRZSA-N 1 0 238.375 2.237 20 30 BEEDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000393446001 410001130 /nfs/dbraw/zinc/00/11/30/410001130.db2.gz ALCGWWZKNURIRP-WUHRBBMRSA-N 1 0 222.332 2.226 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CCOCC2(CCC2)C1 ZINC000680583112 487615190 /nfs/dbraw/zinc/61/51/90/487615190.db2.gz BSJYNFFDVFWGGK-ZDUSSCGKSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCO[C@@H](C)C1)[C@@H](C)COC ZINC000661240670 410401556 /nfs/dbraw/zinc/40/15/56/410401556.db2.gz PUYLHVCOAGCDIL-MELADBBJSA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](CCCCF)[C@H](C)COC ZINC000661240899 410402218 /nfs/dbraw/zinc/40/22/18/410402218.db2.gz SRBFLDHIXWVLJP-LLVKDONJSA-N 1 0 203.301 2.259 20 30 BEEDRO C#CC[N@@H+](CCC(=O)c1ccccc1)C1CC1 ZINC000274008086 166169998 /nfs/dbraw/zinc/16/99/98/166169998.db2.gz AEQPJLLRPGTFEZ-UHFFFAOYSA-N 1 0 227.307 2.357 20 30 BEEDRO C#CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000165994518 166191388 /nfs/dbraw/zinc/19/13/88/166191388.db2.gz PTERENCAFYEFRD-HIFRSBDPSA-N 1 0 229.323 2.377 20 30 BEEDRO C#CC[NH2+][C@H](C)c1ccc(OC)c(F)c1 ZINC000019875701 166192059 /nfs/dbraw/zinc/19/20/59/166192059.db2.gz CJJRICFHLJQWBP-SECBINFHSA-N 1 0 207.248 2.118 20 30 BEEDRO C#CCOc1ccc(C[NH2+]C(C)C)cc1 ZINC000037702289 166198733 /nfs/dbraw/zinc/19/87/33/166198733.db2.gz DOIRPOAIQNFGKC-UHFFFAOYSA-N 1 0 203.285 2.197 20 30 BEEDRO C#CCOc1ccc(C[NH2+]CCCOCC)cc1 ZINC000045945707 166198774 /nfs/dbraw/zinc/19/87/74/166198774.db2.gz YQMMXPDHIOSPNI-UHFFFAOYSA-N 1 0 247.338 2.215 20 30 BEEDRO C#C[C@@H](C)[NH2+]C1CCN(c2ccccc2)CC1 ZINC000235205121 166211113 /nfs/dbraw/zinc/21/11/13/166211113.db2.gz SVIUIDOFRNGDNA-CYBMUJFWSA-N 1 0 228.339 2.267 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(C)C ZINC000289380790 166219500 /nfs/dbraw/zinc/21/95/00/166219500.db2.gz MMZNRORGPLHVBN-AWEZNQCLSA-N 1 0 242.322 2.314 20 30 BEEDRO C=CCCC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000172176458 166232604 /nfs/dbraw/zinc/23/26/04/166232604.db2.gz FOWCMHDEYKMWEW-UHFFFAOYSA-N 1 0 232.327 2.184 20 30 BEEDRO C=CCCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000276994326 166234121 /nfs/dbraw/zinc/23/41/21/166234121.db2.gz VCNDAKJOENARSF-UHFFFAOYSA-N 1 0 218.300 2.112 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C(C)(C)C)nn1 ZINC000279114286 166241519 /nfs/dbraw/zinc/24/15/19/166241519.db2.gz KWYYIKJDCASWQG-UHFFFAOYSA-N 1 0 222.336 2.089 20 30 BEEDRO C=CCCC[NH2+]Cc1cc(OC)ccc1O ZINC000279787771 166241785 /nfs/dbraw/zinc/24/17/85/166241785.db2.gz IFRLMYOOLVVYBT-UHFFFAOYSA-N 1 0 221.300 2.457 20 30 BEEDRO C=CCC[N@H+](C)CCOc1ccc(C#N)cc1 ZINC000276429774 166256923 /nfs/dbraw/zinc/25/69/23/166256923.db2.gz NHEOLWMAPQBOFO-UHFFFAOYSA-N 1 0 230.311 2.445 20 30 BEEDRO C=CCC[N@@H+](C)Cc1cn(C)nc1C(F)F ZINC000276343349 166258690 /nfs/dbraw/zinc/25/86/90/166258690.db2.gz CMDHHGSJOIRMLY-UHFFFAOYSA-N 1 0 229.274 2.366 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(COC)o1 ZINC000276144330 166260018 /nfs/dbraw/zinc/26/00/18/166260018.db2.gz NVVGODQNWNHUEJ-UHFFFAOYSA-N 1 0 209.289 2.434 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](CCC)C(=O)OCC ZINC000276437056 166260886 /nfs/dbraw/zinc/26/08/86/166260886.db2.gz OFXREEXTJLEMQF-LLVKDONJSA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1 ZINC000276488230 166261642 /nfs/dbraw/zinc/26/16/42/166261642.db2.gz UMCCLABJVKSVKY-CYBMUJFWSA-N 1 0 246.354 2.199 20 30 BEEDRO C=CCC[NH+]1CCC(C(=O)C(F)(F)F)CC1 ZINC000274866961 166262753 /nfs/dbraw/zinc/26/27/53/166262753.db2.gz COWHAWVOFMWRGI-UHFFFAOYSA-N 1 0 235.249 2.406 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000338564265 166263382 /nfs/dbraw/zinc/26/33/82/166263382.db2.gz PRFLHTSWXCDSBK-CYBMUJFWSA-N 1 0 209.333 2.454 20 30 BEEDRO C=CCC[N@@H+]1CCO[C@H](COc2ccccc2)C1 ZINC000338542426 166264552 /nfs/dbraw/zinc/26/45/52/166264552.db2.gz ZPBQVUZNDKKZGP-HNNXBMFYSA-N 1 0 247.338 2.342 20 30 BEEDRO C=CCC[NH2+][C@H]1CCO[C@H]1c1c(C)nn(C)c1C ZINC000338564280 166267336 /nfs/dbraw/zinc/26/73/36/166267336.db2.gz PZDYFMBXYWDASY-GXTWGEPZSA-N 1 0 249.358 2.033 20 30 BEEDRO C=CCC[NH2+][C@H](CCO)c1ccc(OC)cc1 ZINC000271670736 166267728 /nfs/dbraw/zinc/26/77/28/166267728.db2.gz MXNHXLJYYBOZSY-CQSZACIVSA-N 1 0 235.327 2.284 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000096034293 166292339 /nfs/dbraw/zinc/29/23/39/166292339.db2.gz BVHFZMCWXJBJKW-CYBMUJFWSA-N 1 0 210.365 2.417 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000134938644 166294710 /nfs/dbraw/zinc/29/47/10/166294710.db2.gz NAHXALMPWXZXSE-SNVBAGLBSA-N 1 0 207.321 2.173 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@H](O)COC)c1ccccc1 ZINC000178760463 166294859 /nfs/dbraw/zinc/29/48/59/166294859.db2.gz ZLEKFLHUXAVVCH-LSDHHAIUSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@@H](C)O)c1ccco1 ZINC000278981864 166295624 /nfs/dbraw/zinc/29/56/24/166295624.db2.gz PMOCXIWUZHOUJY-GHMZBOCLSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000268533596 166297104 /nfs/dbraw/zinc/29/71/04/166297104.db2.gz JEGXFOWSHSDKSV-TZMCWYRMSA-N 1 0 234.343 2.479 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccc(C)o1 ZINC000268621527 166298412 /nfs/dbraw/zinc/29/84/12/166298412.db2.gz IPYXFSSUJSJZRK-GFCCVEGCSA-N 1 0 223.316 2.347 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H](C)CO)c1ccco1 ZINC000276479299 166298663 /nfs/dbraw/zinc/29/86/63/166298663.db2.gz RHYMSLNDBJDFHZ-GHMZBOCLSA-N 1 0 209.289 2.257 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1O ZINC000268530085 166298775 /nfs/dbraw/zinc/29/87/75/166298775.db2.gz IIJQBGBEEHAMEZ-CYBMUJFWSA-N 1 0 235.327 2.151 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000336896232 166299438 /nfs/dbraw/zinc/29/94/38/166299438.db2.gz NTGSFIOOJOHUNP-AVGNSLFASA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@H](O)COC)c1ccccc1 ZINC000178760444 166301844 /nfs/dbraw/zinc/30/18/44/166301844.db2.gz ZLEKFLHUXAVVCH-GJZGRUSLSA-N 1 0 249.354 2.291 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](CC)Cc1ccncc1 ZINC000271039425 166303670 /nfs/dbraw/zinc/30/36/70/166303670.db2.gz SNOWORZOIIJUGD-AWEZNQCLSA-N 1 0 234.343 2.231 20 30 BEEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000271491870 166304200 /nfs/dbraw/zinc/30/42/00/166304200.db2.gz IAQHOAURYWAMKX-JSGCOSHPSA-N 1 0 234.343 2.402 20 30 BEEDRO C=CCN(C)C(=O)c1sccc1C[NH+](C)C ZINC000275100732 166320991 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167223395 /nfs/dbraw/zinc/22/33/95/167223395.db2.gz YYWJHEQEHQEHPH-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccc(C#N)s1 ZINC000165234187 167392473 /nfs/dbraw/zinc/39/24/73/167392473.db2.gz BOBNGICIDDAGBX-GFCCVEGCSA-N 1 0 238.356 2.116 20 30 BEEDRO CC(C)[C@H]1CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000336606084 167481863 /nfs/dbraw/zinc/48/18/63/167481863.db2.gz TZPHNPWCMRRGDF-CYBMUJFWSA-N 1 0 217.316 2.127 20 30 BEEDRO N#CCC[NH2+][C@H]1C[C@H](c2ccccc2)C1 ZINC000591764813 411130364 /nfs/dbraw/zinc/13/03/64/411130364.db2.gz XSEXCPJIPAPDFH-JOCQHMNTSA-N 1 0 200.285 2.436 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@](C)(O)CC)C1 ZINC000651671798 411134840 /nfs/dbraw/zinc/13/48/40/411134840.db2.gz DKSHJTRJJFSSSU-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000651671719 411134960 /nfs/dbraw/zinc/13/49/60/411134960.db2.gz BLMZESIVAONSSD-GHMZBOCLSA-N 1 0 205.305 2.244 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000651683963 411135506 /nfs/dbraw/zinc/13/55/06/411135506.db2.gz VEWZSUNGGVSZNR-JSGCOSHPSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)CCC)C1 ZINC000651709427 411137761 /nfs/dbraw/zinc/13/77/61/411137761.db2.gz WTWNFAABXGDIMC-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO CN(CC[NH+]1CCCCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000593112945 411138221 /nfs/dbraw/zinc/13/82/21/411138221.db2.gz SNIPULDQFWPIQA-KGLIPLIRSA-N 1 0 235.375 2.096 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@](C)(O)CCOC)C1 ZINC000651712413 411138288 /nfs/dbraw/zinc/13/82/88/411138288.db2.gz DOBBRHMMMIURCZ-RDBSUJKOSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H](C)CO)C1 ZINC000651720443 411138674 /nfs/dbraw/zinc/13/86/74/411138674.db2.gz ZSNGEVASSSKCAT-RVMXOQNASA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(CO)CC2)C1 ZINC000651729226 411139242 /nfs/dbraw/zinc/13/92/42/411139242.db2.gz ZRKICCQZKKRBSA-RYUDHWBXSA-N 1 0 209.333 2.093 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CCCO)C1 ZINC000651738421 411140337 /nfs/dbraw/zinc/14/03/37/411140337.db2.gz MJCMIVRHZQJADH-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCCO)C1 ZINC000651738422 411140366 /nfs/dbraw/zinc/14/03/66/411140366.db2.gz MJCMIVRHZQJADH-YNEHKIRRSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2C=C[C@H](CO)C2)C1 ZINC000651753621 411141229 /nfs/dbraw/zinc/14/12/29/411141229.db2.gz YULNAHJAZKEXRV-XDQVBPFNSA-N 1 0 221.344 2.258 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CC2(CO)CCC2)C1 ZINC000651760232 411142067 /nfs/dbraw/zinc/14/20/67/411142067.db2.gz UWVRCBUSKDPBEP-STQMWFEESA-N 1 0 223.360 2.483 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000651762153 411142189 /nfs/dbraw/zinc/14/21/89/411142189.db2.gz BDFZJANXSIKCRP-GXTWGEPZSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCCC[C@@H]1C ZINC000651761400 411142332 /nfs/dbraw/zinc/14/23/32/411142332.db2.gz QUHISAQNQGHLMF-XQQFMLRXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCc2ccn(C)n2)C1 ZINC000651762156 411142393 /nfs/dbraw/zinc/14/23/93/411142393.db2.gz BDFZJANXSIKCRP-TZMCWYRMSA-N 1 0 233.359 2.297 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCC2(CO)CC2)C1 ZINC000651823371 411145532 /nfs/dbraw/zinc/14/55/32/411145532.db2.gz FTMKCSZBFHBINT-QWHCGFSZSA-N 1 0 223.360 2.483 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H](COC)CC(C)(C)C ZINC000651824368 411145594 /nfs/dbraw/zinc/14/55/94/411145594.db2.gz OLGQNJHEANHEAS-CHWSQXEVSA-N 1 0 243.391 2.354 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]C[C@H]2CCCO2)C1 ZINC000651820571 411145890 /nfs/dbraw/zinc/14/58/90/411145890.db2.gz KPQPIIYDVSJHLB-RWMBFGLXSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2CCC2)C1 ZINC000651825589 411146396 /nfs/dbraw/zinc/14/63/96/411146396.db2.gz QXHDLCDJVBFMHD-KWCYVHTRSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2O)C1 ZINC000651828562 411146613 /nfs/dbraw/zinc/14/66/13/411146613.db2.gz RCJLZDHCKLDINJ-UMSGYPCISA-N 1 0 209.333 2.234 20 30 BEEDRO CCOC(=O)CC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000045688614 411147885 /nfs/dbraw/zinc/14/78/85/411147885.db2.gz MFTIBJZZZDYANV-LLVKDONJSA-N 1 0 246.310 2.162 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@]1(O)CCOC1 ZINC000651943692 411156780 /nfs/dbraw/zinc/15/67/80/411156780.db2.gz AUUURJIOLFXMTN-KGLIPLIRSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]CC[C@]1(O)CCCOC1 ZINC000652045093 411094321 /nfs/dbraw/zinc/09/43/21/411094321.db2.gz ZEVAYUKSYPBBMI-UONOGXRCSA-N 1 0 241.375 2.252 20 30 BEEDRO C=CCN1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000661642721 411119074 /nfs/dbraw/zinc/11/90/74/411119074.db2.gz AZVNABCBRPDUNH-INIZCTEOSA-N 1 0 244.382 2.421 20 30 BEEDRO CC1=C(C)C[N@H+](Cc2ccnc(C#N)c2)CC1 ZINC000619517023 411172693 /nfs/dbraw/zinc/17/26/93/411172693.db2.gz RYLCYQJPBKKUKR-UHFFFAOYSA-N 1 0 227.311 2.495 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncn(C)n1 ZINC000657939169 411174100 /nfs/dbraw/zinc/17/41/00/411174100.db2.gz RGIWQXMWFOGIDP-NEPJUHHUSA-N 1 0 234.347 2.040 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655752494 411180282 /nfs/dbraw/zinc/18/02/82/411180282.db2.gz YVQQIJSLAAQCQC-WDEREUQCSA-N 1 0 215.362 2.063 20 30 BEEDRO COC(C)(C)C[NH2+]Cc1cccc(C#N)c1 ZINC000133033846 411181213 /nfs/dbraw/zinc/18/12/13/411181213.db2.gz KBPOGAQXTXKTOA-UHFFFAOYSA-N 1 0 218.300 2.073 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CCC)C(C)C)nn1 ZINC000653799160 411183725 /nfs/dbraw/zinc/18/37/25/411183725.db2.gz OVMRMWMYHOSSLY-UHFFFAOYSA-N 1 0 236.363 2.475 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCCN2CCC2)C1 ZINC000655754384 411184305 /nfs/dbraw/zinc/18/43/05/411184305.db2.gz PBUVNUCNZVIENX-ZIAGYGMSSA-N 1 0 222.376 2.417 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000657973955 411184495 /nfs/dbraw/zinc/18/44/95/411184495.db2.gz KZCTZNUCUHDFLS-PWSUYJOCSA-N 1 0 246.310 2.415 20 30 BEEDRO C[C@H]1CSC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000397913297 411243938 /nfs/dbraw/zinc/24/39/38/411243938.db2.gz BULNDVRNGRTQDV-UWVGGRQHSA-N 1 0 210.346 2.021 20 30 BEEDRO N#CCCCC[NH2+]CC1CCSCC1 ZINC000229254278 411190605 /nfs/dbraw/zinc/19/06/05/411190605.db2.gz LOYLULORQSZYOZ-UHFFFAOYSA-N 1 0 212.362 2.413 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCO ZINC000657994037 411191983 /nfs/dbraw/zinc/19/19/83/411191983.db2.gz NDMSIYZGFDKWAC-CHWSQXEVSA-N 1 0 211.349 2.483 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H](COC)C1CCOCC1 ZINC000658097260 411244355 /nfs/dbraw/zinc/24/43/55/411244355.db2.gz SONOESCCGYDIIO-JSGCOSHPSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCC(OCC)CC1 ZINC000658030883 411208362 /nfs/dbraw/zinc/20/83/62/411208362.db2.gz WEBXDQKIIJUZHT-PQAZSJQKSA-N 1 0 239.359 2.267 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCSCC1 ZINC000658031945 411210460 /nfs/dbraw/zinc/21/04/60/411210460.db2.gz KTIUTHWPXYFKOT-RYUDHWBXSA-N 1 0 229.389 2.189 20 30 BEEDRO C=CCC(C)(C)C[NH2+]Cc1c[nH]nc1C ZINC000292899371 411221079 /nfs/dbraw/zinc/22/10/79/411221079.db2.gz GNVSKWVHOVFXOH-UHFFFAOYSA-N 1 0 207.321 2.410 20 30 BEEDRO C=CCC[NH2+][C@@H]1COc2ccc(OC)cc2C1 ZINC000658113385 411247417 /nfs/dbraw/zinc/24/74/17/411247417.db2.gz GIOQQSUEKYOSFU-LBPRGKRZSA-N 1 0 233.311 2.164 20 30 BEEDRO C=CCC[C@H](CC)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000658070874 411232083 /nfs/dbraw/zinc/23/20/83/411232083.db2.gz AGFINIWEBWGADM-IHRRRGAJSA-N 1 0 241.375 2.372 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]C[C@@](C)(CO)OC ZINC000655787639 411235655 /nfs/dbraw/zinc/23/56/55/411235655.db2.gz YBQSLOHZSZUVKK-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](COC)CC1CCOCC1 ZINC000657917853 411166117 /nfs/dbraw/zinc/16/61/17/411166117.db2.gz FJTLGMIZOVQWEA-TZMCWYRMSA-N 1 0 241.375 2.372 20 30 BEEDRO C=C(CC)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000656452894 411274727 /nfs/dbraw/zinc/27/47/27/411274727.db2.gz BYVHVSADFYVBCV-NSHDSACASA-N 1 0 222.336 2.290 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCO[C@H]1CC1(F)F ZINC000658171095 411280980 /nfs/dbraw/zinc/28/09/80/411280980.db2.gz WWZJUGGKUNYPMZ-UWVGGRQHSA-N 1 0 219.275 2.355 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCO[C@@H]1CC1(F)F ZINC000658171094 411281135 /nfs/dbraw/zinc/28/11/35/411281135.db2.gz WWZJUGGKUNYPMZ-NXEZZACHSA-N 1 0 219.275 2.355 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cn(CC)nn1)C1CC1 ZINC000658177960 411282896 /nfs/dbraw/zinc/28/28/96/411282896.db2.gz XWBDDEXKVVTJFN-CYBMUJFWSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000658205035 411292054 /nfs/dbraw/zinc/29/20/54/411292054.db2.gz DOUPNVPJFGIELW-NEPJUHHUSA-N 1 0 235.331 2.071 20 30 BEEDRO C=CCOCCC[NH2+][C@H]1CCC[C@H]1CCOC ZINC000658204801 411292442 /nfs/dbraw/zinc/29/24/42/411292442.db2.gz BRAPGXQAXIFRRO-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@@H](C)c1cncs1 ZINC000658209653 411294380 /nfs/dbraw/zinc/29/43/80/411294380.db2.gz ITCBIWUMPOFQEL-JTQLQIEISA-N 1 0 226.345 2.386 20 30 BEEDRO C=CCOCCC[NH2+][C@H](C)CC1CCOCC1 ZINC000658209917 411294659 /nfs/dbraw/zinc/29/46/59/411294659.db2.gz KQWSQHJYCDUWNM-CYBMUJFWSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CC(C)(C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000448706028 411303411 /nfs/dbraw/zinc/30/34/11/411303411.db2.gz FJEYYZPBBNHULB-GFCCVEGCSA-N 1 0 238.375 2.047 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660529456 411310632 /nfs/dbraw/zinc/31/06/32/411310632.db2.gz SYKSSNBSOPOVKX-UWVGGRQHSA-N 1 0 239.281 2.490 20 30 BEEDRO C=CCC[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000658116354 411248874 /nfs/dbraw/zinc/24/88/74/411248874.db2.gz JNDDZUBNTIBTPS-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655773758 411255037 /nfs/dbraw/zinc/25/50/37/411255037.db2.gz GPBXIWSABAOUOW-QJPTWQEYSA-N 1 0 229.389 2.187 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccco1 ZINC000658349586 411350854 /nfs/dbraw/zinc/35/08/54/411350854.db2.gz YNFHQXOCLKRKDI-SRVKXCTJSA-N 1 0 221.300 2.400 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)C[NH2+]C ZINC000659328440 411357494 /nfs/dbraw/zinc/35/74/94/411357494.db2.gz FYHBUOJXVXTQBZ-UPJWGTAASA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)C[NH2+]C ZINC000659328441 411357670 /nfs/dbraw/zinc/35/76/70/411357670.db2.gz FYHBUOJXVXTQBZ-XQQFMLRXSA-N 1 0 238.375 2.093 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccon1 ZINC000662083550 411357632 /nfs/dbraw/zinc/35/76/32/411357632.db2.gz FWBUWSWNQAERBO-TXEJJXNPSA-N 1 0 204.273 2.358 20 30 BEEDRO C=CCCn1cc(C[N@H+](CCC)CC2CC2)nn1 ZINC000653481773 411358505 /nfs/dbraw/zinc/35/85/05/411358505.db2.gz RYLDXZPLQCHNQV-UHFFFAOYSA-N 1 0 248.374 2.476 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000660628993 411361168 /nfs/dbraw/zinc/36/11/68/411361168.db2.gz YEIIBMUGSUCHPB-HIFRSBDPSA-N 1 0 246.354 2.198 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1cn[nH]c1 ZINC000662090959 411361239 /nfs/dbraw/zinc/36/12/39/411361239.db2.gz UVYPVHSGRZELMV-BETUJISGSA-N 1 0 217.316 2.135 20 30 BEEDRO C=CCCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000659022254 411367771 /nfs/dbraw/zinc/36/77/71/411367771.db2.gz KZRPILZGPVHHOW-UHFFFAOYSA-N 1 0 233.315 2.104 20 30 BEEDRO C=CCC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)C1CC1 ZINC000658330197 411338134 /nfs/dbraw/zinc/33/81/34/411338134.db2.gz CGHVDPYZBMTHCN-XQQFMLRXSA-N 1 0 209.333 2.498 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)nn1 ZINC000653761314 411339033 /nfs/dbraw/zinc/33/90/33/411339033.db2.gz LQMTXLXZIGKFPZ-KWCYVHTRSA-N 1 0 246.358 2.132 20 30 BEEDRO COCC#CC[NH2+][C@@]1(C)CCCC[C@@H]1C ZINC000656726376 411341323 /nfs/dbraw/zinc/34/13/23/411341323.db2.gz UUTOGERAQVJEQZ-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000658334498 411342736 /nfs/dbraw/zinc/34/27/36/411342736.db2.gz KPURSJOTIGKDQA-MWLCHTKSSA-N 1 0 232.283 2.025 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000658334861 411343139 /nfs/dbraw/zinc/34/31/39/411343139.db2.gz VYDUCKXERHRWTE-VXGBXAGGSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000658334713 411343869 /nfs/dbraw/zinc/34/38/69/411343869.db2.gz SUTOYEVBOULALU-BXUZGUMPSA-N 1 0 247.338 2.209 20 30 BEEDRO CC1(C[NH2+]Cc2ccc(C#N)cc2)CCOCC1 ZINC000227835351 168042165 /nfs/dbraw/zinc/04/21/65/168042165.db2.gz QOFUXWDHVLFKCN-UHFFFAOYSA-N 1 0 244.338 2.465 20 30 BEEDRO C=C1CC[NH+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)CC1 ZINC000659908361 411379619 /nfs/dbraw/zinc/37/96/19/411379619.db2.gz HRDOYDPUEISDOF-MELADBBJSA-N 1 0 248.370 2.086 20 30 BEEDRO C=C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659910654 411380900 /nfs/dbraw/zinc/38/09/00/411380900.db2.gz MTZMFDQCDRJBRA-SNVBAGLBSA-N 1 0 217.259 2.063 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H]1CCCn2ccnc21 ZINC000655731140 411376664 /nfs/dbraw/zinc/37/66/64/411376664.db2.gz VJYKEIQFWMYXEC-GHMZBOCLSA-N 1 0 205.305 2.272 20 30 BEEDRO CC1CC[NH+](CCNc2cc(C#N)ccn2)CC1 ZINC000040772422 168181309 /nfs/dbraw/zinc/18/13/09/168181309.db2.gz ZEOVYCAFFYLARW-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO CCC(=O)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000190172901 168200283 /nfs/dbraw/zinc/20/02/83/168200283.db2.gz ISLGUMBNYIHCCS-UHFFFAOYSA-N 1 0 230.311 2.359 20 30 BEEDRO C=CC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000659266641 411385054 /nfs/dbraw/zinc/38/50/54/411385054.db2.gz WAJWBFHRQICNEJ-UHFFFAOYSA-N 1 0 248.370 2.073 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@@H]2C(C)C)nn1 ZINC000653506832 411414923 /nfs/dbraw/zinc/41/49/23/411414923.db2.gz NFKAIJGRZGVGLK-CQSZACIVSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCC[C@H]2C(C)C)nn1 ZINC000653506831 411415033 /nfs/dbraw/zinc/41/50/33/411415033.db2.gz NFKAIJGRZGVGLK-AWEZNQCLSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659476532 411419094 /nfs/dbraw/zinc/41/90/94/411419094.db2.gz CIBLKYOONYVUDZ-NSHDSACASA-N 1 0 241.379 2.110 20 30 BEEDRO C=CCCn1cc(C[N@@H+]2CCC[C@H]2C2CC2)nn1 ZINC000653541985 411419220 /nfs/dbraw/zinc/41/92/20/411419220.db2.gz BRYRNMQNJCFEOL-AWEZNQCLSA-N 1 0 246.358 2.229 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@@H](CC)C2)nn1 ZINC000653568047 411423330 /nfs/dbraw/zinc/42/33/30/411423330.db2.gz JKKAFOLGCHHWCA-GFCCVEGCSA-N 1 0 234.347 2.086 20 30 BEEDRO C=CCCn1cc(C[NH+]2[C@H](C)CC[C@H]2C)nn1 ZINC000653568754 411424557 /nfs/dbraw/zinc/42/45/57/411424557.db2.gz IPRMSVCDIRWZJV-VXGBXAGGSA-N 1 0 234.347 2.227 20 30 BEEDRO C=CCCn1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)nn1 ZINC000653568753 411424664 /nfs/dbraw/zinc/42/46/64/411424664.db2.gz IPRMSVCDIRWZJV-TXEJJXNPSA-N 1 0 234.347 2.227 20 30 BEEDRO C=CCCn1cc(C[NH+]2CCC3(CC3)CC2)nn1 ZINC000653593897 411428712 /nfs/dbraw/zinc/42/87/12/411428712.db2.gz VISVVQPPKAWGOZ-UHFFFAOYSA-N 1 0 246.358 2.230 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H](C)[C@@H](C)CC)nn1 ZINC000653605431 411431963 /nfs/dbraw/zinc/43/19/63/411431963.db2.gz WRWLRKADSKXDMN-RYUDHWBXSA-N 1 0 236.363 2.378 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1cc2n(n1)CCCC2 ZINC000655739062 411444838 /nfs/dbraw/zinc/44/48/38/411444838.db2.gz VLRVOUPVDBDOTK-LLVKDONJSA-N 1 0 219.332 2.274 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CCCC[C@H](C)C2)nn1 ZINC000653621442 411446342 /nfs/dbraw/zinc/44/63/42/411446342.db2.gz NBAWPOKFWFOEPS-ZDUSSCGKSA-N 1 0 248.374 2.476 20 30 BEEDRO C=CCCn1cc(C[N@H+]2CC[C@H](C)[C@H]2CC)nn1 ZINC000653621491 411446457 /nfs/dbraw/zinc/44/64/57/411446457.db2.gz OXEJMILNECIBMY-GXTWGEPZSA-N 1 0 248.374 2.475 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCNC1=O ZINC000657276658 411447645 /nfs/dbraw/zinc/44/76/45/411447645.db2.gz OOJYFIUFAOKNAB-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCNC1=O ZINC000657276659 411447750 /nfs/dbraw/zinc/44/77/50/411447750.db2.gz OOJYFIUFAOKNAB-QWHCGFSZSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@]2(C)CC=CCC2)nn1 ZINC000657489911 411532688 /nfs/dbraw/zinc/53/26/88/411532688.db2.gz BOASVSILSHOOKB-AWEZNQCLSA-N 1 0 246.358 2.443 20 30 BEEDRO Cn1cc(C[NH2+]C2CCCCC2)cc1C#N ZINC000232313687 411494835 /nfs/dbraw/zinc/49/48/35/411494835.db2.gz IACRRXWBWBEMID-UHFFFAOYSA-N 1 0 217.316 2.319 20 30 BEEDRO C=C1CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000659908408 411495472 /nfs/dbraw/zinc/49/54/72/411495472.db2.gz IGMLHDKBUQOUKY-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CCCC[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000659940924 411504542 /nfs/dbraw/zinc/50/45/42/411504542.db2.gz JLFQYBAMYRGNIS-SNVBAGLBSA-N 1 0 219.275 2.309 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCC)cc1C ZINC000657434453 411506701 /nfs/dbraw/zinc/50/67/01/411506701.db2.gz DQLVCKJAHFKFMT-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H]1CCN(CC)C1=O ZINC000659946749 411507507 /nfs/dbraw/zinc/50/75/07/411507507.db2.gz IXXMIAWBUDDFFP-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc(F)c(F)c1F ZINC000657431346 411507937 /nfs/dbraw/zinc/50/79/37/411507937.db2.gz ZWUUQVOUCKAQBB-UHFFFAOYSA-N 1 0 245.244 2.396 20 30 BEEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCC[C@H]2C)nn1 ZINC000657456779 411517326 /nfs/dbraw/zinc/51/73/26/411517326.db2.gz XBXHYIQTMSZWHJ-CHWSQXEVSA-N 1 0 248.374 2.380 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@@](C)(CO)OC ZINC000655802124 411518843 /nfs/dbraw/zinc/51/88/43/411518843.db2.gz WWTBTNKJRNGBTR-STQMWFEESA-N 1 0 229.364 2.108 20 30 BEEDRO C=C(C)C[N@H+](CC)CCO[C@@H]1CC1(F)F ZINC000659828464 411466131 /nfs/dbraw/zinc/46/61/31/411466131.db2.gz DXKCGBDXBJRKBN-SNVBAGLBSA-N 1 0 219.275 2.309 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)nn1 ZINC000657499891 411535551 /nfs/dbraw/zinc/53/55/51/411535551.db2.gz ISCUYYXIRPRPOU-JHJVBQTASA-N 1 0 246.358 2.132 20 30 BEEDRO C=CCC[NH2+]Cc1cnc2c(C)cccn12 ZINC000657582817 411554574 /nfs/dbraw/zinc/55/45/74/411554574.db2.gz HXSSMHHVLVEOOR-UHFFFAOYSA-N 1 0 215.300 2.308 20 30 BEEDRO C=CCC[NH2+]Cc1cccc(OCC)n1 ZINC000657582997 411554586 /nfs/dbraw/zinc/55/45/86/411554586.db2.gz RLQDVTMDSDFQMB-UHFFFAOYSA-N 1 0 206.289 2.146 20 30 BEEDRO C=CCC[NH2+]Cc1nccn1CC(F)(F)F ZINC000657583013 411554645 /nfs/dbraw/zinc/55/46/45/411554645.db2.gz SUCFNWMYGWSUDJ-UHFFFAOYSA-N 1 0 233.237 2.111 20 30 BEEDRO C=CCC[NH2+]Cc1cccc(OCCOC)c1 ZINC000657583040 411554702 /nfs/dbraw/zinc/55/47/02/411554702.db2.gz VHLKDBRKNFSFBA-UHFFFAOYSA-N 1 0 235.327 2.378 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(-c2cc[nH]n2)o1 ZINC000657583526 411555326 /nfs/dbraw/zinc/55/53/26/411555326.db2.gz NITDWQDVTCFNLP-UHFFFAOYSA-N 1 0 217.272 2.335 20 30 BEEDRO C=CCC1([NH2+]Cc2nccs2)CCOCC1 ZINC000657633182 411567134 /nfs/dbraw/zinc/56/71/34/411567134.db2.gz JYHILYLDCFCSRP-UHFFFAOYSA-N 1 0 238.356 2.358 20 30 BEEDRO C=CCC1([NH2+]Cc2cnn(C=C)c2)CCOCC1 ZINC000657633083 411567224 /nfs/dbraw/zinc/56/72/24/411567224.db2.gz GALWQGVNYKYZPL-UHFFFAOYSA-N 1 0 247.342 2.199 20 30 BEEDRO C=CCC1([NH2+]C[C@@H]2CCSC2)CCOCC1 ZINC000657633613 411567644 /nfs/dbraw/zinc/56/76/44/411567644.db2.gz SKELBTSHLFAWOG-LBPRGKRZSA-N 1 0 241.400 2.454 20 30 BEEDRO C=CCC1([NH2+]Cc2cncn2CC)CCOCC1 ZINC000657635200 411567827 /nfs/dbraw/zinc/56/78/27/411567827.db2.gz ZCXPBXBBXJBXDK-UHFFFAOYSA-N 1 0 249.358 2.118 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C2(CO)CC2)C1 ZINC000657608618 411561719 /nfs/dbraw/zinc/56/17/19/411561719.db2.gz WNJZFLLNAAWMCA-UPJWGTAASA-N 1 0 223.360 2.482 20 30 BEEDRO C=CCOCCC[NH2+]Cc1cnn(C(C)C)c1 ZINC000657657914 411571804 /nfs/dbraw/zinc/57/18/04/411571804.db2.gz GBXLWKZIQOUCQR-UHFFFAOYSA-N 1 0 237.347 2.146 20 30 BEEDRO C=CCOCCC[NH2+]Cc1sccc1OC ZINC000657658088 411572023 /nfs/dbraw/zinc/57/20/23/411572023.db2.gz LWOZGCONZDJJIT-UHFFFAOYSA-N 1 0 241.356 2.439 20 30 BEEDRO CCOC1CC([N@H+](C)Cc2ccc(C#N)o2)C1 ZINC000290358074 170328498 /nfs/dbraw/zinc/32/84/98/170328498.db2.gz GPSBEVHVGZRXNF-UHFFFAOYSA-N 1 0 234.299 2.151 20 30 BEEDRO CCOCCCC[NH2+]Cc1ccc(C#N)o1 ZINC000164438019 170369556 /nfs/dbraw/zinc/36/95/56/170369556.db2.gz XEMXLAUDECDPDZ-UHFFFAOYSA-N 1 0 222.288 2.058 20 30 BEEDRO C=C(C)CC[N@H+]1CCCN(CC)C[C@@H]1C ZINC000660785634 411631314 /nfs/dbraw/zinc/63/13/14/411631314.db2.gz BECUWFPOUCGIPL-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCCC[N@H+]1CCCN(CC)C[C@@H]1C ZINC000660791532 411634140 /nfs/dbraw/zinc/63/41/40/411634140.db2.gz OROJUFXMIYKRLN-ZDUSSCGKSA-N 1 0 210.365 2.369 20 30 BEEDRO C=CCC1([NH2+]Cc2cnn(C)c2)CCCC1 ZINC000657702894 411583279 /nfs/dbraw/zinc/58/32/79/411583279.db2.gz PQRJAFIKSRNZLV-UHFFFAOYSA-N 1 0 219.332 2.399 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1CCO[C@H]1CC1(F)F ZINC000660429397 411583853 /nfs/dbraw/zinc/58/38/53/411583853.db2.gz LLXDRIHSDGKGNN-MNOVXSKESA-N 1 0 231.286 2.451 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000657794858 411599457 /nfs/dbraw/zinc/59/94/57/411599457.db2.gz XZEZIOGODNBDJX-LLVKDONJSA-N 1 0 230.311 2.113 20 30 BEEDRO C=CCC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000660639465 411610896 /nfs/dbraw/zinc/61/08/96/411610896.db2.gz RGPJUTXRWHBKOJ-CYBMUJFWSA-N 1 0 234.343 2.307 20 30 BEEDRO CC#CC[N@@H+](C)C[C@@H](OC)C1CCCC1 ZINC000660643838 411611255 /nfs/dbraw/zinc/61/12/55/411611255.db2.gz DPJWWGFZYFQIHU-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCOCCOC ZINC000657853077 411612062 /nfs/dbraw/zinc/61/20/62/411612062.db2.gz ZBQUPWDPMPKWPC-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO CCC#C[C@H](C)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660660221 411614541 /nfs/dbraw/zinc/61/45/41/411614541.db2.gz WXBQJKZDVLOXFX-LSDHHAIUSA-N 1 0 234.387 2.206 20 30 BEEDRO CC#CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677794 411616802 /nfs/dbraw/zinc/61/68/02/411616802.db2.gz JGKXOUJOVQQKRN-UHFFFAOYSA-N 1 0 242.366 2.264 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1conc1CC ZINC000660742700 411620272 /nfs/dbraw/zinc/62/02/72/411620272.db2.gz YYXQNFVJYWMBDY-OLZOCXBDSA-N 1 0 236.315 2.060 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000660742681 411620493 /nfs/dbraw/zinc/62/04/93/411620493.db2.gz YNVRCGWAJPFVPS-OCCSQVGLSA-N 1 0 248.326 2.375 20 30 BEEDRO C=CCCC[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000660747156 411620648 /nfs/dbraw/zinc/62/06/48/411620648.db2.gz QWJPTRKESOGMGG-UHFFFAOYSA-N 1 0 235.331 2.282 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661094035 411705061 /nfs/dbraw/zinc/70/50/61/411705061.db2.gz QMQBTQAABMWKRD-CQSZACIVSA-N 1 0 219.328 2.098 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CC)[C@H](C)CC)nn1 ZINC000661104556 411708774 /nfs/dbraw/zinc/70/87/74/411708774.db2.gz QITCEMMGZMJNHM-GFCCVEGCSA-N 1 0 236.363 2.475 20 30 BEEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@H](C)CC ZINC000661108238 411710712 /nfs/dbraw/zinc/71/07/12/411710712.db2.gz XFIYQBNTBBRYFB-CYBMUJFWSA-N 1 0 238.375 2.307 20 30 BEEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccc(N)n1 ZINC000661115922 411713864 /nfs/dbraw/zinc/71/38/64/411713864.db2.gz VKSTZFPQNGJWQP-NEPJUHHUSA-N 1 0 246.358 2.283 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCOCCF ZINC000663464016 411665113 /nfs/dbraw/zinc/66/51/13/411665113.db2.gz PJCGQEIPUMACRC-QWRGUYRKSA-N 1 0 203.301 2.163 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)C[C@@H]1CC=CCC1 ZINC000680099597 487536245 /nfs/dbraw/zinc/53/62/45/487536245.db2.gz YGZVRNMZVSUFCC-CHWSQXEVSA-N 1 0 209.333 2.212 20 30 BEEDRO C=C(C)CC[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000661214036 411733842 /nfs/dbraw/zinc/73/38/42/411733842.db2.gz GDDPKOYJUWKNBU-MELADBBJSA-N 1 0 241.375 2.108 20 30 BEEDRO C=CC[N@H+](C[C@@H]1CCCCO1)[C@@H](C)COC ZINC000661244653 411737725 /nfs/dbraw/zinc/73/77/25/411737725.db2.gz XCFPZIKHBWERAR-STQMWFEESA-N 1 0 227.348 2.078 20 30 BEEDRO C=CC[N@@H+](CC[C@@H]1CCCCO1)[C@@H](C)COC ZINC000661238323 411739327 /nfs/dbraw/zinc/73/93/27/411739327.db2.gz BDCLPJNJYDFBOB-KBPBESRZSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CC[N@H+](C[C@H](O)CCC(C)C)[C@@H](C)COC ZINC000661240609 411740965 /nfs/dbraw/zinc/74/09/65/411740965.db2.gz OYULAXNPJHNTAL-UONOGXRCSA-N 1 0 243.391 2.306 20 30 BEEDRO C=CC[N@@H+](CCc1cccnc1)[C@H](C)COC ZINC000661239476 411741246 /nfs/dbraw/zinc/74/12/46/411741246.db2.gz GNDHXEHSMIMECK-CYBMUJFWSA-N 1 0 234.343 2.147 20 30 BEEDRO C=CC[N@@H+](CCC[C@@H]1CCOC1)[C@@H](C)COC ZINC000661241082 411741745 /nfs/dbraw/zinc/74/17/45/411741745.db2.gz WPLYKOCOSADBOR-UONOGXRCSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CC[N@H+](Cc1ccncc1)[C@@H](C)COC ZINC000661244668 411743842 /nfs/dbraw/zinc/74/38/42/411743842.db2.gz XGHFZOVGYOIVJX-LBPRGKRZSA-N 1 0 220.316 2.105 20 30 BEEDRO C=CCOCCNc1[nH+]ccc2[nH]ccc21 ZINC000663785066 411747405 /nfs/dbraw/zinc/74/74/05/411747405.db2.gz YZGBZZSYPLPAQU-UHFFFAOYSA-N 1 0 217.272 2.177 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](CCCCCO)C1 ZINC000661379166 411752829 /nfs/dbraw/zinc/75/28/29/411752829.db2.gz VHSGKWCRJMONDD-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO C=C(C)[C@H](CO)[NH+]1CCC(C2CCC2)CC1 ZINC000661374113 411758880 /nfs/dbraw/zinc/75/88/80/411758880.db2.gz IZRRZDMNNBTRSL-AWEZNQCLSA-N 1 0 223.360 2.436 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CCn2cccn2)C1 ZINC000661378674 411760123 /nfs/dbraw/zinc/76/01/23/411760123.db2.gz KCZJPKHPNGGQPQ-CYBMUJFWSA-N 1 0 219.332 2.171 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000661378716 411761083 /nfs/dbraw/zinc/76/10/83/411761083.db2.gz KYEIMTKSHFYEAG-LBPRGKRZSA-N 1 0 219.332 2.208 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](CO)C(=C)C)C1 ZINC000661382205 411764585 /nfs/dbraw/zinc/76/45/85/411764585.db2.gz ULDSXMJWEOOYGL-OLZOCXBDSA-N 1 0 209.333 2.212 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1cscn1 ZINC000661425336 411773752 /nfs/dbraw/zinc/77/37/52/411773752.db2.gz SLSJHLPCVUZBHD-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=CC[NH2+][C@@H](COC)c1cccc(OC)c1 ZINC000661476977 411784952 /nfs/dbraw/zinc/78/49/52/411784952.db2.gz DQCIEQIMCSGCKN-ZDUSSCGKSA-N 1 0 221.300 2.158 20 30 BEEDRO C=CCCC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661494757 411788788 /nfs/dbraw/zinc/78/87/88/411788788.db2.gz OOSUMRJSWQARGQ-BETUJISGSA-N 1 0 209.333 2.311 20 30 BEEDRO C=CC[N@@H+](CC(=O)NCCCC)C(C)(C)C ZINC000661755044 411867114 /nfs/dbraw/zinc/86/71/14/411867114.db2.gz HEYMVQHSBBDJOF-UHFFFAOYSA-N 1 0 226.364 2.189 20 30 BEEDRO C=CC[N@@H+](CC(=O)N(CC)CC)C(C)(C)C ZINC000661755727 411867258 /nfs/dbraw/zinc/86/72/58/411867258.db2.gz PSJQKTWECZHVAH-UHFFFAOYSA-N 1 0 226.364 2.141 20 30 BEEDRO C=CC[N@@H+](C[C@H](O)COC(C)C)C(C)(C)C ZINC000661755138 411860776 /nfs/dbraw/zinc/86/07/76/411860776.db2.gz KWRYBFGJPVLHCO-LBPRGKRZSA-N 1 0 229.364 2.059 20 30 BEEDRO C=CCC1([NH2+]CC(=O)N(CC)CC)CCCC1 ZINC000661848173 411901535 /nfs/dbraw/zinc/90/15/35/411901535.db2.gz BSZXVERDMBSKTB-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCC1([NH2+]Cc2cnc[nH]2)CCCC1 ZINC000661852591 411902545 /nfs/dbraw/zinc/90/25/45/411902545.db2.gz ZULDJIYCYBRVJR-UHFFFAOYSA-N 1 0 205.305 2.388 20 30 BEEDRO N#CCCC[NH+]1CCC2(CCCC2=O)CC1 ZINC000661953609 411918544 /nfs/dbraw/zinc/91/85/44/411918544.db2.gz QQPTWWDQMFNKCG-UHFFFAOYSA-N 1 0 220.316 2.125 20 30 BEEDRO C=CC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661997254 411937946 /nfs/dbraw/zinc/93/79/46/411937946.db2.gz QWJBMFVKFSPLHL-UHFFFAOYSA-N 1 0 207.317 2.063 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)C1CCC(F)CC1 ZINC000662000562 411939673 /nfs/dbraw/zinc/93/96/73/411939673.db2.gz GXUMRUWMCHFUKV-YWPUVAFDSA-N 1 0 229.339 2.430 20 30 BEEDRO C=CC[N@@H+](Cc1cnn(C)c1)C(C)(C)C ZINC000661756824 411868590 /nfs/dbraw/zinc/86/85/90/411868590.db2.gz WGLJBKBJRUHPJM-UHFFFAOYSA-N 1 0 207.321 2.207 20 30 BEEDRO C=CC[N@@H+](C[C@H](OC)[C@H]1CCOC1)C(C)(C)C ZINC000661758490 411869017 /nfs/dbraw/zinc/86/90/17/411869017.db2.gz SSCHREXQNGNWBI-STQMWFEESA-N 1 0 241.375 2.324 20 30 BEEDRO C=CC[N@@H+](Cc1cn(C)cn1)C(C)(C)C ZINC000661759908 411870924 /nfs/dbraw/zinc/87/09/24/411870924.db2.gz MBKWCXNEUBANMR-UHFFFAOYSA-N 1 0 207.321 2.207 20 30 BEEDRO C=CCC[NH+]1CCC(c2ccon2)CC1 ZINC000662047126 411966026 /nfs/dbraw/zinc/96/60/26/411966026.db2.gz ZFAINEVHCSKPLN-UHFFFAOYSA-N 1 0 206.289 2.430 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCO1 ZINC000662082581 411969917 /nfs/dbraw/zinc/96/99/17/411969917.db2.gz WAOORAYTIGSWHY-XQQFMLRXSA-N 1 0 207.317 2.348 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+]1[C@@H]2CC[C@H]1CC(=C)C2 ZINC000662087980 411974377 /nfs/dbraw/zinc/97/43/77/411974377.db2.gz RVBAJJBMKBJWJW-XQQFMLRXSA-N 1 0 207.317 2.106 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(C)(C)C ZINC000662080842 411980387 /nfs/dbraw/zinc/98/03/87/411980387.db2.gz NACFEIBISYQOOE-TXEJJXNPSA-N 1 0 236.359 2.084 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(C)nnn1CC ZINC000662089843 411983239 /nfs/dbraw/zinc/98/32/39/411983239.db2.gz GKKZOAYOXPRXJZ-BETUJISGSA-N 1 0 246.358 2.289 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC[C@@H](C)O ZINC000662089850 411983639 /nfs/dbraw/zinc/98/36/39/411983639.db2.gz GNOWOOBGHROPAI-UPJWGTAASA-N 1 0 209.333 2.330 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccnc(N)c1 ZINC000662090504 411985745 /nfs/dbraw/zinc/98/57/45/411985745.db2.gz PKOLZSFNPGZFPJ-BETUJISGSA-N 1 0 229.327 2.347 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCc1ccccc1Cl ZINC000662165821 412014237 /nfs/dbraw/zinc/01/42/37/412014237.db2.gz QLXDZHRUHVUXBX-LLVKDONJSA-N 1 0 225.719 2.019 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCOc1c(C)cccc1C ZINC000662166123 412014471 /nfs/dbraw/zinc/01/44/71/412014471.db2.gz ZYXMDFWYPQGRNE-CQSZACIVSA-N 1 0 249.354 2.209 20 30 BEEDRO C=C[C@H](CO)[NH2+]CCCc1ccccc1C ZINC000662167233 412016239 /nfs/dbraw/zinc/01/62/39/412016239.db2.gz VWYNAUKBWRVHBP-CQSZACIVSA-N 1 0 219.328 2.064 20 30 BEEDRO COCC#CCN1CC(C)(C)[C@@H]1c1cccnc1 ZINC000664821652 412026690 /nfs/dbraw/zinc/02/66/90/412026690.db2.gz FLZUALBVRBBINW-AWEZNQCLSA-N 1 0 244.338 2.114 20 30 BEEDRO C=CCC[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864473 412033815 /nfs/dbraw/zinc/03/38/15/412033815.db2.gz QERWXKURTDTACD-UHFFFAOYSA-N 1 0 219.332 2.370 20 30 BEEDRO CC[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000083729914 171342905 /nfs/dbraw/zinc/34/29/05/171342905.db2.gz AXLLGSHMGVLZFP-JTQLQIEISA-N 1 0 218.300 2.455 20 30 BEEDRO CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000165228985 171377952 /nfs/dbraw/zinc/37/79/52/171377952.db2.gz AQDHZZNVNKZQGP-CABZTGNLSA-N 1 0 238.356 2.116 20 30 BEEDRO C=CCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662311434 412089089 /nfs/dbraw/zinc/08/90/89/412089089.db2.gz ZHKZUNOTJPYPAA-OKILXGFUSA-N 1 0 221.344 2.455 20 30 BEEDRO C=CCCN1c2ccccc2CC[C@@H]1C[NH3+] ZINC000662307554 412092345 /nfs/dbraw/zinc/09/23/45/412092345.db2.gz XETPPMMEMIDJAH-CYBMUJFWSA-N 1 0 216.328 2.343 20 30 BEEDRO C=CC[C@@]1(C(=O)N(C)C2CCCC2)CCC[NH2+]1 ZINC000662458537 412180899 /nfs/dbraw/zinc/18/08/99/412180899.db2.gz XPRHJAWRMUBSHK-AWEZNQCLSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[C@]1(C(=O)NCCC(C)(C)C)CCC[NH2+]1 ZINC000662466890 412184786 /nfs/dbraw/zinc/18/47/86/412184786.db2.gz YHDGEFYBUGDUHG-CQSZACIVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CC[C@@]1(C(=O)N(C)CC(C)(C)C)CCC[NH2+]1 ZINC000662520212 412202413 /nfs/dbraw/zinc/20/24/13/412202413.db2.gz FVVUKXGOQXRGQK-AWEZNQCLSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@@H](C)[C@H](C)CC)CCC[NH2+]1 ZINC000662525441 412203683 /nfs/dbraw/zinc/20/36/83/412203683.db2.gz URHNZYCDOJOJMX-MBNYWOFBSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@@H](C)[C@@H](C)CC)CCC[NH2+]1 ZINC000662525443 412203947 /nfs/dbraw/zinc/20/39/47/412203947.db2.gz URHNZYCDOJOJMX-SGMGOOAPSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@]1(C(=O)N[C@H](C)[C@@H](C)CC)CCC[NH2+]1 ZINC000662525442 412204396 /nfs/dbraw/zinc/20/43/96/412204396.db2.gz URHNZYCDOJOJMX-OUCADQQQSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@@]1(C(=O)Nc2cc(C)ccn2)CCC[NH2+]1 ZINC000662659828 412261474 /nfs/dbraw/zinc/26/14/74/412261474.db2.gz PZNFACSIRXLLBA-AWEZNQCLSA-N 1 0 245.326 2.027 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH2+]C ZINC000662600552 412235463 /nfs/dbraw/zinc/23/54/63/412235463.db2.gz GIGNXZZRRVJJFO-FRRDWIJNSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)CC2([NH3+])CCC2)C1 ZINC000662630462 412250234 /nfs/dbraw/zinc/25/02/34/412250234.db2.gz JQTLVZSEAMKGDK-LBPRGKRZSA-N 1 0 236.359 2.073 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)C1 ZINC000662635813 412252482 /nfs/dbraw/zinc/25/24/82/412252482.db2.gz NKNOUBLKMHSLBP-AVGNSLFASA-N 1 0 238.375 2.175 20 30 BEEDRO C=CC[C@H]1CCCN(C(=O)[C@@H]([NH3+])[C@H](C)CC)C1 ZINC000662857509 412327264 /nfs/dbraw/zinc/32/72/64/412327264.db2.gz NKNOUBLKMHSLBP-AGIUHOORSA-N 1 0 238.375 2.175 20 30 BEEDRO C=CCC1(NC(=O)C[C@@H]2CCC[NH2+]2)CCCC1 ZINC000662888087 412335857 /nfs/dbraw/zinc/33/58/57/412335857.db2.gz DRMMJQJQIWOEDD-LBPRGKRZSA-N 1 0 236.359 2.134 20 30 BEEDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000087013558 171703169 /nfs/dbraw/zinc/70/31/69/171703169.db2.gz GFSFQFOOICONSK-FZMZJTMJSA-N 1 0 232.327 2.370 20 30 BEEDRO C=CCCC(C)(C)NC(=O)[C@H](C)[NH2+]CCC ZINC000662954272 412353414 /nfs/dbraw/zinc/35/34/14/412353414.db2.gz UGVCMXCAFKLIDM-NSHDSACASA-N 1 0 226.364 2.236 20 30 BEEDRO C=CC[C@]1(C(=O)Nc2ccc(C)nc2)CCC[NH2+]1 ZINC000662787579 412302620 /nfs/dbraw/zinc/30/26/20/412302620.db2.gz DCQMHNQXFSSHIW-CQSZACIVSA-N 1 0 245.326 2.027 20 30 BEEDRO CCn1cc([C@@H](C)[NH2+]CCC(C)(C)C#N)cn1 ZINC000295264397 172193524 /nfs/dbraw/zinc/19/35/24/172193524.db2.gz AKBXJBSRXMODRN-LLVKDONJSA-N 1 0 234.347 2.493 20 30 BEEDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(C#N)cn2)C1 ZINC000267307189 172526358 /nfs/dbraw/zinc/52/63/58/172526358.db2.gz WGTJWIKKWQHTSS-QWHCGFSZSA-N 1 0 244.342 2.238 20 30 BEEDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccnc2C#N)C1 ZINC000357505273 172537307 /nfs/dbraw/zinc/53/73/07/172537307.db2.gz AWBGTHKBIOWQAC-RYUDHWBXSA-N 1 0 244.342 2.238 20 30 BEEDRO COC1CC[NH+](Cc2ccc(C#N)cc2F)CC1 ZINC000037250397 174030985 /nfs/dbraw/zinc/03/09/85/174030985.db2.gz LSWGTNXZHAAODM-UHFFFAOYSA-N 1 0 248.301 2.308 20 30 BEEDRO C=CCC[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC001652317134 1173061947 /nfs/dbraw/zinc/06/19/47/1173061947.db2.gz TZXBXGAXNHISSF-LBPRGKRZSA-N 1 0 217.316 2.232 20 30 BEEDRO COCC(C)(C)C[NH2+]Cc1ccc(C#N)s1 ZINC000291828538 174072953 /nfs/dbraw/zinc/07/29/53/174072953.db2.gz ZXIRGNFJEWVSIB-UHFFFAOYSA-N 1 0 238.356 2.382 20 30 BEEDRO COCC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000341988231 174084055 /nfs/dbraw/zinc/08/40/55/174084055.db2.gz HYGISRPKUUCFIF-UHFFFAOYSA-N 1 0 244.338 2.439 20 30 BEEDRO C=C[C@@H]1CCCC[N@H+]1Cc1cccnc1N ZINC001652334754 1173063139 /nfs/dbraw/zinc/06/31/39/1173063139.db2.gz VVGZVQPXGKVLEQ-GFCCVEGCSA-N 1 0 217.316 2.204 20 30 BEEDRO COCCC[NH2+][C@@H](C)c1ccc(C#N)c(F)c1 ZINC000271974434 174249363 /nfs/dbraw/zinc/24/93/63/174249363.db2.gz XMXWNBGRVITDPE-JTQLQIEISA-N 1 0 236.290 2.384 20 30 BEEDRO COCCC[NH2+][C@H](C)c1ccc(C#N)c(F)c1 ZINC000271974435 174250500 /nfs/dbraw/zinc/25/05/00/174250500.db2.gz XMXWNBGRVITDPE-SNVBAGLBSA-N 1 0 236.290 2.384 20 30 BEEDRO COCC[C@@H](C)[N@H+](C)Cc1cccc(C#N)c1 ZINC000122699054 174377936 /nfs/dbraw/zinc/37/79/36/174377936.db2.gz KUUUIYZKRQGFOT-GFCCVEGCSA-N 1 0 232.327 2.415 20 30 BEEDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000341271725 174752951 /nfs/dbraw/zinc/75/29/51/174752951.db2.gz VVBLBAXYQNMSIK-LSDHHAIUSA-N 1 0 244.338 2.463 20 30 BEEDRO COc1ccc(C#N)cc1CN1CC[C@@H](F)C1 ZINC000336262719 175051788 /nfs/dbraw/zinc/05/17/88/175051788.db2.gz MLTSNODTDHEBDD-GFCCVEGCSA-N 1 0 234.274 2.111 20 30 BEEDRO COc1ccc(C[NH2+]CCCC#N)cc1OC ZINC000035141504 175106386 /nfs/dbraw/zinc/10/63/86/175106386.db2.gz DWEOXYCSMPJBSU-UHFFFAOYSA-N 1 0 234.299 2.097 20 30 BEEDRO COc1ccc(C[NH2+]CCCCC#N)cc1OC ZINC000042222630 175106920 /nfs/dbraw/zinc/10/69/20/175106920.db2.gz SKXFYWORLLAKBP-UHFFFAOYSA-N 1 0 248.326 2.487 20 30 BEEDRO C[C@@H]([NH3+])[C@@H]1CCN(c2ccc(C#N)c(Cl)c2)C1 ZINC000127387668 175812053 /nfs/dbraw/zinc/81/20/53/175812053.db2.gz RTXIELQHTJERKZ-MWLCHTKSSA-N 1 0 249.745 2.385 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000336609817 176013370 /nfs/dbraw/zinc/01/33/70/176013370.db2.gz RYWJSMZZSMIVMW-FZMZJTMJSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+](C)CC1(CO)CC1 ZINC000186821353 176013389 /nfs/dbraw/zinc/01/33/89/176013389.db2.gz IOBCJOCEAJMKBK-LBPRGKRZSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000336422232 176016586 /nfs/dbraw/zinc/01/65/86/176016586.db2.gz WYFJUHLGBPDFOT-FZMZJTMJSA-N 1 0 242.322 2.076 20 30 BEEDRO C[C@@H]1CC[N@H+](C)CCN1c1cccc(F)c1C#N ZINC000336314767 176167681 /nfs/dbraw/zinc/16/76/81/176167681.db2.gz ABMYKYUBHOOLFY-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C#N)cc2)[C@@H]1C ZINC000156637590 176171659 /nfs/dbraw/zinc/17/16/59/176171659.db2.gz OYYCLHRXAJRQQQ-JMSVASOKSA-N 1 0 244.338 2.322 20 30 BEEDRO C[C@@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000040718158 176175676 /nfs/dbraw/zinc/17/56/76/176175676.db2.gz IKJFSAXBTQSMRV-LLVKDONJSA-N 1 0 200.285 2.400 20 30 BEEDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(C#N)o1 ZINC000191810276 176193859 /nfs/dbraw/zinc/19/38/59/176193859.db2.gz SSCJXVGWJQYJBH-SNVBAGLBSA-N 1 0 236.340 2.479 20 30 BEEDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2)O1 ZINC000128294770 176205757 /nfs/dbraw/zinc/20/57/57/176205757.db2.gz XKHBJXKHVLJDFG-RISCZKNCSA-N 1 0 230.311 2.215 20 30 BEEDRO C[C@@H]1C[NH+]=C(NC2CC(C)(c3ccccc3)C2)N1 ZINC000262690024 176322008 /nfs/dbraw/zinc/32/20/08/176322008.db2.gz ZWIBWZOEZHWYAD-NUYPLMSZSA-N 1 0 243.354 2.044 20 30 BEEDRO C[C@@H]1COCC[C@@H]1[NH2+]CC#Cc1ccc(F)cc1 ZINC000277443445 176340082 /nfs/dbraw/zinc/34/00/82/176340082.db2.gz LLMGHTXSRQCYPA-DOMZBBRYSA-N 1 0 247.313 2.192 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000300863305 176344461 /nfs/dbraw/zinc/34/44/61/176344461.db2.gz OBNMOULUIZOFIS-BXKDBHETSA-N 1 0 236.340 2.134 20 30 BEEDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(C#N)cc1 ZINC000304580176 176356093 /nfs/dbraw/zinc/35/60/93/176356093.db2.gz YHPMGGUTEQHXIU-ZWNOBZJWSA-N 1 0 232.352 2.399 20 30 BEEDRO C=CC[N@H+](C[C@H](O)c1cccc(C#N)c1)C(C)C ZINC001652363797 1173070784 /nfs/dbraw/zinc/07/07/84/1173070784.db2.gz LDVXXQQBFOVPBG-HNNXBMFYSA-N 1 0 244.338 2.488 20 30 BEEDRO C[C@@]1(CNc2ccc(C#N)cc2)CCC[NH2+]C1 ZINC000129295722 176533507 /nfs/dbraw/zinc/53/35/07/176533507.db2.gz TUJAGMDKIADQRM-CQSZACIVSA-N 1 0 229.327 2.360 20 30 BEEDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccc(C#N)cc1 ZINC000124456116 176836825 /nfs/dbraw/zinc/83/68/25/176836825.db2.gz ZTWVZIRUVYCGDA-NSHDSACASA-N 1 0 230.311 2.124 20 30 BEEDRO C[C@H](CCCO)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000094941766 176909887 /nfs/dbraw/zinc/90/98/87/176909887.db2.gz AZZWBMLATGKBGH-NEPJUHHUSA-N 1 0 232.327 2.370 20 30 BEEDRO C[C@@H](C[NH2+]Cc1ccc(C#N)cc1)C[C@H](C)O ZINC000123454336 176994734 /nfs/dbraw/zinc/99/47/34/176994734.db2.gz GGGTWSQHLWJDCV-NEPJUHHUSA-N 1 0 232.327 2.055 20 30 BEEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1ccccc1C#N ZINC000264446798 177014663 /nfs/dbraw/zinc/01/46/63/177014663.db2.gz RJIUVQVWFFHKKK-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](CO)C1 ZINC000267162618 177032482 /nfs/dbraw/zinc/03/24/82/177032482.db2.gz QVMIZNDCNIQZJL-OCCSQVGLSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000267162619 177033119 /nfs/dbraw/zinc/03/31/19/177033119.db2.gz QVMIZNDCNIQZJL-TZMCWYRMSA-N 1 0 244.338 2.324 20 30 BEEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000187698526 177035416 /nfs/dbraw/zinc/03/54/16/177035416.db2.gz JPVZSOXJFWYHOP-IUODEOHRSA-N 1 0 244.338 2.466 20 30 BEEDRO C[C@H]1CCC[C@H](CO)[N@@H+]1Cc1ccc(C#N)cc1 ZINC000136155213 177134524 /nfs/dbraw/zinc/13/45/24/177134524.db2.gz HVRGUNMEGJCFOC-SWLSCSKDSA-N 1 0 244.338 2.294 20 30 BEEDRO C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1 ZINC000040718211 177160248 /nfs/dbraw/zinc/16/02/48/177160248.db2.gz JKFCNYXCNSQTOW-LBPRGKRZSA-N 1 0 230.311 2.279 20 30 BEEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000191436545 177163406 /nfs/dbraw/zinc/16/34/06/177163406.db2.gz QXUZCZLQTNFFAU-WDEREUQCSA-N 1 0 217.316 2.127 20 30 BEEDRO C[C@H]1CC[N@H+](Cc2ccccc2C#N)C1 ZINC000040718159 177164627 /nfs/dbraw/zinc/16/46/27/177164627.db2.gz IKJFSAXBTQSMRV-NSHDSACASA-N 1 0 200.285 2.400 20 30 BEEDRO C[C@H]1CC[C@H]1[NH2+]Cc1cccc(C#N)c1 ZINC000335552832 177207312 /nfs/dbraw/zinc/20/73/12/177207312.db2.gz DZOCKMDKTUWVQI-GXFFZTMASA-N 1 0 200.285 2.446 20 30 BEEDRO C[C@@H]1[C@@H](C)C[N@@H+]1CCOc1cccc(C#N)c1 ZINC000293143354 177252382 /nfs/dbraw/zinc/25/23/82/177252382.db2.gz UIOHMBYLKWFMHM-NWDGAFQWSA-N 1 0 230.311 2.277 20 30 BEEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cc2)CCCO1 ZINC000061918341 177262504 /nfs/dbraw/zinc/26/25/04/177262504.db2.gz RXWUJJBQIXLSCF-LBPRGKRZSA-N 1 0 230.311 2.169 20 30 BEEDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccc(F)c(C#N)c1 ZINC000277492852 177297036 /nfs/dbraw/zinc/29/70/36/177297036.db2.gz OVUCTCHYHJBIDY-IINYFYTJSA-N 1 0 248.301 2.212 20 30 BEEDRO C[C@H]1CSCC[N@@H+]1Cc1ccc(C#N)cc1 ZINC000070219793 177305603 /nfs/dbraw/zinc/30/56/03/177305603.db2.gz RMXJPILTQIJPRL-NSHDSACASA-N 1 0 232.352 2.496 20 30 BEEDRO C[C@H]1C[C@@H](C[NH2+]Cc2cccc(C#N)c2)CCO1 ZINC000271513814 177324471 /nfs/dbraw/zinc/32/44/71/177324471.db2.gz POLNBPHOALDBNO-WFASDCNBSA-N 1 0 244.338 2.463 20 30 BEEDRO C=CCOCC[NH2+][C@H](C1CC1)C1CCC1 ZINC000324977765 487643559 /nfs/dbraw/zinc/64/35/59/487643559.db2.gz QDQXNTPTYZWTIP-ZDUSSCGKSA-N 1 0 209.333 2.357 20 30 BEEDRO C[C@H]1C[C@@H]1C[NH2+]CCOc1ccc(C#N)cc1 ZINC000488431245 225397972 /nfs/dbraw/zinc/39/79/72/225397972.db2.gz HKQGJOWQKKZJEO-WCQYABFASA-N 1 0 230.311 2.183 20 30 BEEDRO C[C@@]1(CO)CCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000492914179 226082959 /nfs/dbraw/zinc/08/29/59/226082959.db2.gz TWVQVYWULRHRQV-CVEARBPZSA-N 1 0 243.350 2.179 20 30 BEEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCCC(C)(C)C1 ZINC000309097773 487648828 /nfs/dbraw/zinc/64/88/28/487648828.db2.gz DLSUZZOZLBMDDE-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO CO[C@@H](C[NH+]1CCC(C)(C#N)CC1)C1CC1 ZINC000400103032 226332591 /nfs/dbraw/zinc/33/25/91/226332591.db2.gz BGRURTWZQPRKGE-LBPRGKRZSA-N 1 0 222.332 2.037 20 30 BEEDRO CO[C@H](C[N@H+](C)Cc1cccc(C#N)c1)C1CC1 ZINC000400168904 226332938 /nfs/dbraw/zinc/33/29/38/226332938.db2.gz KMOIOQQVLGYEIL-OAHLLOKOSA-N 1 0 244.338 2.415 20 30 BEEDRO C[C@@H]1C[C@H](O)C[N@H+](CCCCC(C)(C)C#N)C1 ZINC000401504322 226358601 /nfs/dbraw/zinc/35/86/01/226358601.db2.gz QVKZTAPCQCCAAZ-OLZOCXBDSA-N 1 0 238.375 2.409 20 30 BEEDRO COCC[N@H+](Cc1cc(C#N)cs1)C1CC1 ZINC000507155766 226366366 /nfs/dbraw/zinc/36/63/66/226366366.db2.gz PZZMHQDICVVMKQ-UHFFFAOYSA-N 1 0 236.340 2.231 20 30 BEEDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(C#N)cc2F)O1 ZINC000398073728 262714410 /nfs/dbraw/zinc/71/44/10/262714410.db2.gz KSZZOKMYADWVPO-GWCFXTLKSA-N 1 0 248.301 2.354 20 30 BEEDRO CC#CCC[N@@H+]1CCOc2ccccc2C1 ZINC000680882995 487659543 /nfs/dbraw/zinc/65/95/43/487659543.db2.gz QZIMYYDJHQDLLE-UHFFFAOYSA-N 1 0 215.296 2.294 20 30 BEEDRO C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc(C#N)c1 ZINC000424377284 229160464 /nfs/dbraw/zinc/16/04/64/229160464.db2.gz QXYSBACEUXDMRC-NILFDRSVSA-N 1 0 243.354 2.479 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000308900315 487693128 /nfs/dbraw/zinc/69/31/28/487693128.db2.gz BEPZYWSQXWCFHW-QJPTWQEYSA-N 1 0 228.767 2.201 20 30 BEEDRO C[C@@H](CCO)CC[NH2+]CC(C)(C)CCC#N ZINC000397796741 262934593 /nfs/dbraw/zinc/93/45/93/262934593.db2.gz VAMHHCORIDSFCL-GFCCVEGCSA-N 1 0 226.364 2.315 20 30 BEEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCC[C@@H](C(=O)OC)C1 ZINC001172594628 974880881 /nfs/dbraw/zinc/88/08/81/974880881.db2.gz BRSSZKLOCKWYOW-YRGRVCCFSA-N 1 0 237.343 2.110 20 30 BEEDRO C=CCN(CC=C)C(=O)C[C@@H](C[NH3+])CC(C)C ZINC000088275945 487716486 /nfs/dbraw/zinc/71/64/86/487716486.db2.gz NIWUTCIDTJXKQU-ZDUSSCGKSA-N 1 0 238.375 2.198 20 30 BEEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(C#N)c(F)c1 ZINC000404129608 267027510 /nfs/dbraw/zinc/02/75/10/267027510.db2.gz SJGIEWRAHOGAQB-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C#N)cs1 ZINC000527783234 267154800 /nfs/dbraw/zinc/15/48/00/267154800.db2.gz QXBZBIREZHLPAE-NEPJUHHUSA-N 1 0 236.340 2.277 20 30 BEEDRO N#Cc1csc(C[NH2+]CCc2ccccc2)n1 ZINC000352842277 268320363 /nfs/dbraw/zinc/32/03/63/268320363.db2.gz UZAQXTNPEFJELO-UHFFFAOYSA-N 1 0 243.335 2.347 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000757406410 585335003 /nfs/dbraw/zinc/33/50/03/585335003.db2.gz VOEYMBXOQWBTIS-MNOVXSKESA-N 1 0 215.724 2.240 20 30 BEEDRO C=CC[N@@H+](CCCS(=O)(=O)C(C)C)C(C)C ZINC000758694316 585358469 /nfs/dbraw/zinc/35/84/69/585358469.db2.gz FFEGRPQXTPLINB-UHFFFAOYSA-N 1 0 247.404 2.096 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000617039175 487787143 /nfs/dbraw/zinc/78/71/43/487787143.db2.gz DKCQRVQWAIGPOL-RWMBFGLXSA-N 1 0 238.375 2.188 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)CC2CCCC2)C1 ZINC000566119262 487792661 /nfs/dbraw/zinc/79/26/61/487792661.db2.gz WEFBPACLLYQQIR-BFHYXJOUSA-N 1 0 236.359 2.209 20 30 BEEDRO C=C(C)CC[NH2+][C@]1(CO)CCc2ccccc21 ZINC000681407582 487795203 /nfs/dbraw/zinc/79/52/03/487795203.db2.gz SHFFVUHVYICBSW-HNNXBMFYSA-N 1 0 231.339 2.376 20 30 BEEDRO CC#CCCCC(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000681001382 487796729 /nfs/dbraw/zinc/79/67/29/487796729.db2.gz GKVMOYDFECWQPS-UHFFFAOYSA-N 1 0 245.326 2.280 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(C)C)C[C@@H]1CC ZINC000681450968 487797672 /nfs/dbraw/zinc/79/76/72/487797672.db2.gz IFUQMVRIOCUCEB-STQMWFEESA-N 1 0 238.375 2.045 20 30 BEEDRO COc1cccc([C@@H]2C[C@H]2C[NH2+]CCC#N)c1 ZINC000591770838 487799240 /nfs/dbraw/zinc/79/92/40/487799240.db2.gz PFQLBZDYLWSJNZ-JSGCOSHPSA-N 1 0 230.311 2.302 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC000414297421 487802255 /nfs/dbraw/zinc/80/22/55/487802255.db2.gz HVUDWSXGBKANHN-MXWKQRLJSA-N 1 0 233.302 2.479 20 30 BEEDRO CC(C)C[C@@H](C)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153245 487807214 /nfs/dbraw/zinc/80/72/14/487807214.db2.gz LJAANMWLSTVNHF-OLZOCXBDSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2nncn2CC)C1 ZINC000651679232 487816372 /nfs/dbraw/zinc/81/63/72/487816372.db2.gz UNYYRKGDZLBNCQ-NEPJUHHUSA-N 1 0 234.347 2.132 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC000651685596 487817434 /nfs/dbraw/zinc/81/74/34/487817434.db2.gz YWWVVBUCSINNBC-OLZOCXBDSA-N 1 0 219.332 2.218 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+]CCn2cccn2)C1 ZINC000651685598 487817458 /nfs/dbraw/zinc/81/74/58/487817458.db2.gz YWWVVBUCSINNBC-STQMWFEESA-N 1 0 219.332 2.218 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCn2cnnc2CC)C1 ZINC000651724321 487822155 /nfs/dbraw/zinc/82/21/55/487822155.db2.gz RFGRCHICQGQAAG-QWHCGFSZSA-N 1 0 248.374 2.175 20 30 BEEDRO C=C(C)CC[N@H+]1CCCN(C(=O)OCC)CC1 ZINC000495679822 526444528 /nfs/dbraw/zinc/44/45/28/526444528.db2.gz NVNMLIPCZFAEQC-UHFFFAOYSA-N 1 0 240.347 2.117 20 30 BEEDRO C=CCCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487233690 527293921 /nfs/dbraw/zinc/29/39/21/527293921.db2.gz PXBAGEMQTHMTKX-FRRDWIJNSA-N 1 0 238.375 2.045 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cncn1C(C)C)C(C)C ZINC000300870310 527410609 /nfs/dbraw/zinc/41/06/09/527410609.db2.gz HMVVWMSBDLGTBB-ZDUSSCGKSA-N 1 0 219.332 2.211 20 30 BEEDRO C#CCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000069767974 487829901 /nfs/dbraw/zinc/82/99/01/487829901.db2.gz FNNOBZXVWUBBQP-JTQLQIEISA-N 1 0 218.256 2.269 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2COC[C@H]2OCC)C1 ZINC000651825227 487838154 /nfs/dbraw/zinc/83/81/54/487838154.db2.gz IWWZPQVICGIQJN-AAVRWANBSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CC[C@H]1CC[C@H]([NH2+][C@@H]2COC[C@H]2OCC)C1 ZINC000651825228 487838196 /nfs/dbraw/zinc/83/81/96/487838196.db2.gz IWWZPQVICGIQJN-IGQOVBAYSA-N 1 0 239.359 2.125 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@H](C#N)CCC#N ZINC000077176972 487844297 /nfs/dbraw/zinc/84/42/97/487844297.db2.gz OIPTZKKBXKHFHX-LBPRGKRZSA-N 1 0 205.305 2.328 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCCN(C(C)C)CC1 ZINC000878046188 590480317 /nfs/dbraw/zinc/48/03/17/590480317.db2.gz SBGCYWIFYPMQGE-ZDUSSCGKSA-N 1 0 210.365 2.367 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@](CC)(CO)C1 ZINC000681710037 487847168 /nfs/dbraw/zinc/84/71/68/487847168.db2.gz OMAXRIRSAXQBTA-ZIAGYGMSSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CC[NH2+]C(C)(C)c1ccc(F)cc1F ZINC000886902134 592391681 /nfs/dbraw/zinc/39/16/81/592391681.db2.gz JIXSLRNNCMQKPE-UHFFFAOYSA-N 1 0 209.239 2.423 20 30 BEEDRO C#CC[N@H+](CC1CCOCC1)C(C)(C)C ZINC000932463836 640539174 /nfs/dbraw/zinc/53/91/74/640539174.db2.gz OXCADKYQPHGMSD-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO COCCCC[NH2+]CC(C)(C)CCC#N ZINC000126682558 322960219 /nfs/dbraw/zinc/96/02/19/322960219.db2.gz YQBXFJHAXHSIRJ-UHFFFAOYSA-N 1 0 212.337 2.333 20 30 BEEDRO C=CCCn1cc(C[N@@H+](CC)CCCC)nn1 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ZINC000668551809 487923173 /nfs/dbraw/zinc/92/31/73/487923173.db2.gz XPUGIPBCAAUVKS-QWHCGFSZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCC1([NH2+][C@H]2CCO[C@@H](C)C2)CCOCC1 ZINC000668552621 487923301 /nfs/dbraw/zinc/92/33/01/487923301.db2.gz PRMYITLILFWRIX-STQMWFEESA-N 1 0 239.359 2.269 20 30 BEEDRO C=CCC1([NH2+][C@@H]2CCSC2)CCOCC1 ZINC000668552843 487924342 /nfs/dbraw/zinc/92/43/42/487924342.db2.gz UUNXHCWUMAGQRL-LLVKDONJSA-N 1 0 227.373 2.207 20 30 BEEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677040208 487956452 /nfs/dbraw/zinc/95/64/52/487956452.db2.gz BILPMSAUVUMQBD-STQMWFEESA-N 1 0 209.333 2.045 20 30 BEEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C[C@H](C)C1 ZINC000246791473 323010714 /nfs/dbraw/zinc/01/07/14/323010714.db2.gz SFPVWYURNSDEAZ-AGIUHOORSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]1CC(CC[NH2+]CCC#N)C[C@@H](C)O1 ZINC000566792576 323014445 /nfs/dbraw/zinc/01/44/45/323014445.db2.gz FCSKILFGJRXSBR-GHMZBOCLSA-N 1 0 210.321 2.083 20 30 BEEDRO C=C(C)CN(CC)C(=O)/C=C/c1nccn1CC ZINC000158692496 323016877 /nfs/dbraw/zinc/01/68/77/323016877.db2.gz OMMPISTUKCWNFM-BQYQJAHWSA-N 1 0 247.342 2.341 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](CC)C1 ZINC000248515623 323023955 /nfs/dbraw/zinc/02/39/55/323023955.db2.gz OJBMCGLBESWRKA-FRRDWIJNSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248520839 323023985 /nfs/dbraw/zinc/02/39/85/323023985.db2.gz REOIFGMBNYLBSG-QNWHQSFQSA-N 1 0 211.349 2.338 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@H](OC)C1(CC)CC ZINC000248523432 323024187 /nfs/dbraw/zinc/02/41/87/323024187.db2.gz SNCZZHPANWHZMQ-AGIUHOORSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](OC)C1(CC)CC ZINC000248523433 323024189 /nfs/dbraw/zinc/02/41/89/323024189.db2.gz SNCZZHPANWHZMQ-FRRDWIJNSA-N 1 0 241.375 2.107 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CCCC[C@@H]1C ZINC000248579759 323025639 /nfs/dbraw/zinc/02/56/39/323025639.db2.gz FDBNIWFNYQUVSB-RWMBFGLXSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CCCC[C@@H]1C ZINC000248579761 323025690 /nfs/dbraw/zinc/02/56/90/323025690.db2.gz FDBNIWFNYQUVSB-YNEHKIRRSA-N 1 0 211.349 2.339 20 30 BEEDRO C=CCCCC[N@H+]1CCC[C@H](CO)CC1 ZINC000562704085 323028333 /nfs/dbraw/zinc/02/83/33/323028333.db2.gz HQXLOITVRYJHBL-ZDUSSCGKSA-N 1 0 211.349 2.437 20 30 BEEDRO CC[C@H](CC#N)NCC[C@H]1CCCC[N@@H+]1C ZINC000566982299 323030485 /nfs/dbraw/zinc/03/04/85/323030485.db2.gz UJFHPYWKTRZBBC-CHWSQXEVSA-N 1 0 223.364 2.143 20 30 BEEDRO CCC[C@@H](O)C[NH+]1CCC(CCC#N)CC1 ZINC000569840683 323042247 /nfs/dbraw/zinc/04/22/47/323042247.db2.gz JCWYWUHQHMEONO-CYBMUJFWSA-N 1 0 224.348 2.163 20 30 BEEDRO C=C(C)C[C@@H](C)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000569983933 323046423 /nfs/dbraw/zinc/04/64/23/323046423.db2.gz JNRDGTJBZZWVII-VXGBXAGGSA-N 1 0 238.375 2.175 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)OC(C)(C)C ZINC000570173738 323052018 /nfs/dbraw/zinc/05/20/18/323052018.db2.gz MVUFEDFSUXAHIE-JTQLQIEISA-N 1 0 226.320 2.000 20 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BEEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H]1CC=CCC1 ZINC000320421922 323096419 /nfs/dbraw/zinc/09/64/19/323096419.db2.gz FZXHZEMNXYNBJV-OLZOCXBDSA-N 1 0 209.333 2.259 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](c2cc(C)ccn2)C1 ZINC000570980968 323102584 /nfs/dbraw/zinc/10/25/84/323102584.db2.gz ABRCOTLVMUVYGQ-GFCCVEGCSA-N 1 0 202.301 2.365 20 30 BEEDRO CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccccc1C#N ZINC000563216169 323103197 /nfs/dbraw/zinc/10/31/97/323103197.db2.gz CEFUNPQZPVVTGO-DOMZBBRYSA-N 1 0 246.354 2.445 20 30 BEEDRO N#CCCCC[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000571043396 323105018 /nfs/dbraw/zinc/10/50/18/323105018.db2.gz KQDLDJSKZRINGF-ZDUSSCGKSA-N 1 0 222.332 2.181 20 30 BEEDRO C[C@@H](C#N)C[N@H+](C)CC1CC(F)(F)C1 ZINC000394760503 323108162 /nfs/dbraw/zinc/10/81/62/323108162.db2.gz DXTXPFDBLCVWLK-QMMMGPOBSA-N 1 0 202.248 2.123 20 30 BEEDRO C[N@@H+]1CCN(CCCC#N)CC12CCCCC2 ZINC000565172553 323131865 /nfs/dbraw/zinc/13/18/65/323131865.db2.gz OYNBUJQFLNNJGK-UHFFFAOYSA-N 1 0 235.375 2.240 20 30 BEEDRO CC(C)C1(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000262685447 323150261 /nfs/dbraw/zinc/15/02/61/323150261.db2.gz AGCSSGDJBDFINC-UHFFFAOYSA-N 1 0 223.364 2.127 20 30 BEEDRO CC(C)[N@@H+]1CC[C@H](CNc2cccc(C#N)n2)C1 ZINC000112734092 323171961 /nfs/dbraw/zinc/17/19/61/323171961.db2.gz ANGCLYMQEHFVPY-GFCCVEGCSA-N 1 0 244.342 2.095 20 30 BEEDRO C=CCNC(=O)C[N@@H+](C)C1CCC(C)(C)CC1 ZINC000127691089 323174183 /nfs/dbraw/zinc/17/41/83/323174183.db2.gz DSOHVJIRDDMXMQ-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC[NH2+][C@H](C(=O)N(C)CC)C(C)C ZINC000567191020 323174515 /nfs/dbraw/zinc/17/45/15/323174515.db2.gz ADTNCDKZDKCUSM-ZDUSSCGKSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(C)C[NH+]1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000081568783 323176050 /nfs/dbraw/zinc/17/60/50/323176050.db2.gz BRBBWIYYJFXPER-ZDUSSCGKSA-N 1 0 210.365 2.226 20 30 BEEDRO C=CCCCC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000563783225 323177568 /nfs/dbraw/zinc/17/75/68/323177568.db2.gz CODKCCAJNHYXGX-UHFFFAOYSA-N 1 0 224.348 2.073 20 30 BEEDRO CC(C)C[C@H](CCO)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442791326 323183058 /nfs/dbraw/zinc/18/30/58/323183058.db2.gz NSKXPBNPLGDWDX-MELADBBJSA-N 1 0 238.375 2.313 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1ccoc1 ZINC000308976600 323183128 /nfs/dbraw/zinc/18/31/28/323183128.db2.gz GUZUERDUNLJILI-WDEREUQCSA-N 1 0 209.289 2.115 20 30 BEEDRO CCC#C[C@H](C)N1CCN(c2nccs2)CC1 ZINC000677047051 487957640 /nfs/dbraw/zinc/95/76/40/487957640.db2.gz PWOKKQYOIILFLT-LBPRGKRZSA-N 1 0 249.383 2.067 20 30 BEEDRO COC(C)(C)C[N@H+](C)Cc1ccc(C#N)s1 ZINC000535852424 323193503 /nfs/dbraw/zinc/19/35/03/323193503.db2.gz XVMZDKYUNFYTSX-UHFFFAOYSA-N 1 0 238.356 2.477 20 30 BEEDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399123708 323197318 /nfs/dbraw/zinc/19/73/18/323197318.db2.gz IXMICQRLLCNDFN-IUODEOHRSA-N 1 0 244.338 2.267 20 30 BEEDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(CC#N)cc1 ZINC000399136004 323197929 /nfs/dbraw/zinc/19/79/29/323197929.db2.gz QQXDYJBQLRAYQR-HUUCEWRRSA-N 1 0 244.338 2.410 20 30 BEEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCCC(C)(C)C#N ZINC000399242529 323201278 /nfs/dbraw/zinc/20/12/78/323201278.db2.gz MQQWLYCJOHKTNZ-NEPJUHHUSA-N 1 0 224.348 2.162 20 30 BEEDRO C=C(CC)C[NH+]1CCN(Cc2cccnc2)CC1 ZINC000358864878 323353026 /nfs/dbraw/zinc/35/30/26/323353026.db2.gz YSORJYPQGHKIRC-UHFFFAOYSA-N 1 0 245.370 2.165 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1ccccc1 ZINC000677047374 487957811 /nfs/dbraw/zinc/95/78/11/487957811.db2.gz XSBXPKNGMOODSE-CYBMUJFWSA-N 1 0 205.301 2.055 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccccc1F ZINC000677048198 487958877 /nfs/dbraw/zinc/95/88/77/487958877.db2.gz PTXYPOBCRIYUEM-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=CC[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000121159103 324006689 /nfs/dbraw/zinc/00/66/89/324006689.db2.gz FXTUJWKCPKWQNI-UHFFFAOYSA-N 1 0 227.311 2.490 20 30 BEEDRO Cc1ccc(CC[NH2+]Cc2ccc(C#N)o2)o1 ZINC000537235167 324060145 /nfs/dbraw/zinc/06/01/45/324060145.db2.gz FYGPGNBBWCHIJC-UHFFFAOYSA-N 1 0 230.267 2.385 20 30 BEEDRO C=CCCC[N@@H+](C)CCCc1cncn1C ZINC000572494478 324132530 /nfs/dbraw/zinc/13/25/30/324132530.db2.gz XCZPDLGXWYXKNE-UHFFFAOYSA-N 1 0 221.348 2.251 20 30 BEEDRO C=CCOCC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000302409471 487962632 /nfs/dbraw/zinc/96/26/32/487962632.db2.gz PJCAJMNYSKQKCA-UHFFFAOYSA-N 1 0 230.311 2.460 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(O)cc1 ZINC000668581089 487962958 /nfs/dbraw/zinc/96/29/58/487962958.db2.gz VEXJAMYFIPLALL-UHFFFAOYSA-N 1 0 221.300 2.075 20 30 BEEDRO C[C@@H](C#N)C[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000529541338 324317913 /nfs/dbraw/zinc/31/79/13/324317913.db2.gz KOCHGRIJEACVOT-YUMQZZPRSA-N 1 0 202.248 2.169 20 30 BEEDRO C=CC(C)(C)CC[NH2+][C@@H]1CNCC[C@@H]1C ZINC000530213648 324528814 /nfs/dbraw/zinc/52/88/14/324528814.db2.gz ULVYVXYIZCPJSY-NWDGAFQWSA-N 1 0 210.365 2.176 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]C1CCOCC1 ZINC000126706936 324710955 /nfs/dbraw/zinc/71/09/55/324710955.db2.gz GRIPBMYQCSFMPG-UHFFFAOYSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(OC)c(F)c1 ZINC000130486587 325057400 /nfs/dbraw/zinc/05/74/00/325057400.db2.gz NXOFDIFMADIBCM-VIFPVBQESA-N 1 0 209.264 2.498 20 30 BEEDRO C=CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000130685097 325080136 /nfs/dbraw/zinc/08/01/36/325080136.db2.gz SSEAYQODVXMMIN-UTUOFQBUSA-N 1 0 207.317 2.110 20 30 BEEDRO C=C(CC)C[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000543494780 325091428 /nfs/dbraw/zinc/09/14/28/325091428.db2.gz QSVDYNLUJNQVAY-ZDUSSCGKSA-N 1 0 238.375 2.367 20 30 BEEDRO CC[C@@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000131486625 325155651 /nfs/dbraw/zinc/15/56/51/325155651.db2.gz GJUOCSGXAAIJFT-NEPJUHHUSA-N 1 0 205.305 2.162 20 30 BEEDRO CC#CCC[NH+]1CCC(OC(C)C)CC1 ZINC000545196964 325189216 /nfs/dbraw/zinc/18/92/16/325189216.db2.gz XGUMOAYPCGISHD-UHFFFAOYSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545931422 325248583 /nfs/dbraw/zinc/24/85/83/325248583.db2.gz PNBZGIYBRATCPZ-SNVBAGLBSA-N 1 0 237.265 2.198 20 30 BEEDRO CC[N@H+](CCCSCC#N)C[C@@H](C)C#N ZINC000074989825 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CCC[C@@]1([NH2+]Cc2ccc(C#N)cn2)CCOC1 ZINC000566425878 326044917 /nfs/dbraw/zinc/04/49/17/326044917.db2.gz HWWAXBUVVJKSFF-CQSZACIVSA-N 1 0 245.326 2.002 20 30 BEEDRO C=CC(C)(C)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000566470215 326052692 /nfs/dbraw/zinc/05/26/92/326052692.db2.gz ZVHZDYMAGBPWHV-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000566689923 326075445 /nfs/dbraw/zinc/07/54/45/326075445.db2.gz WHIYVJAERMIAGT-NEPJUHHUSA-N 1 0 226.364 2.222 20 30 BEEDRO CCC[N@H+](CC)Cc1ccc(C#N)cn1 ZINC000567120640 326119461 /nfs/dbraw/zinc/11/94/61/326119461.db2.gz ICWIHBKPRBMIQJ-UHFFFAOYSA-N 1 0 203.289 2.185 20 30 BEEDRO CC[C@@H](C)[N@H+](C)Cc1cnc2ccc(C#N)cn12 ZINC000154561202 326151011 /nfs/dbraw/zinc/15/10/11/326151011.db2.gz AUBPSXRSBUGCKV-LLVKDONJSA-N 1 0 242.326 2.436 20 30 BEEDRO C#CC[N@@H+](CCCC(=O)OCC)C1CCCC1 ZINC000155775470 326211613 /nfs/dbraw/zinc/21/16/13/326211613.db2.gz VXSOXDIXTYXLPT-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO CC(C)CC[C@H](O)C[NH2+]CC(C)(C)CC#N ZINC000567696887 326246823 /nfs/dbraw/zinc/24/68/23/326246823.db2.gz JWRQRWVQQFGGPK-LBPRGKRZSA-N 1 0 226.364 2.313 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH2+]CCc1cccc(C#N)c1 ZINC000567699945 326247797 /nfs/dbraw/zinc/24/77/97/326247797.db2.gz AGSRDNVFSNILOC-AWEZNQCLSA-N 1 0 246.354 2.097 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCc2c1cccc2F ZINC000273426526 326265256 /nfs/dbraw/zinc/26/52/56/326265256.db2.gz KLJMYZVJUXLZOH-IINYFYTJSA-N 1 0 235.302 2.340 20 30 BEEDRO C=C[C@H](CC(=O)NC[C@@H]([NH3+])CC)c1ccccc1 ZINC000567982333 326290816 /nfs/dbraw/zinc/29/08/16/326290816.db2.gz VWPIRYFGDAVXOF-OCCSQVGLSA-N 1 0 246.354 2.200 20 30 BEEDRO CC[C@H](CC#N)[NH2+]CCCc1ccncc1 ZINC000568181386 326321645 /nfs/dbraw/zinc/32/16/45/326321645.db2.gz RPETWKBWTUIIMC-CYBMUJFWSA-N 1 0 217.316 2.296 20 30 BEEDRO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C[C@H](C)O1 ZINC000568209633 326326652 /nfs/dbraw/zinc/32/66/52/326326652.db2.gz ZLADHYXVHOGASU-ZSBIGDGJSA-N 1 0 224.348 2.472 20 30 BEEDRO CC1CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000158853679 326344792 /nfs/dbraw/zinc/34/47/92/326344792.db2.gz HSLLQRGAQWHFIM-UHFFFAOYSA-N 1 0 204.273 2.383 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000568651079 326370991 /nfs/dbraw/zinc/37/09/91/326370991.db2.gz HPVGICJSZNRFFB-MWLCHTKSSA-N 1 0 205.305 2.400 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H](C)c1cncnc1C ZINC000568651077 326371157 /nfs/dbraw/zinc/37/11/57/326371157.db2.gz HPVGICJSZNRFFB-GXSJLCMTSA-N 1 0 205.305 2.400 20 30 BEEDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000569216229 326395455 /nfs/dbraw/zinc/39/54/55/326395455.db2.gz XHYNRQWUSKPRNK-UTUOFQBUSA-N 1 0 205.305 2.066 20 30 BEEDRO C[C@H]([N@H+](C)Cc1ccc(C#N)s1)C(C)(C)O ZINC000569255659 326398254 /nfs/dbraw/zinc/39/82/54/326398254.db2.gz CGPBJYDMSCWZFP-VIFPVBQESA-N 1 0 238.356 2.211 20 30 BEEDRO COCC#CC[N@H+](C)CCCOc1ccccc1 ZINC000677132809 487979428 /nfs/dbraw/zinc/97/94/28/487979428.db2.gz SAEAMKJTEQNDPA-UHFFFAOYSA-N 1 0 247.338 2.037 20 30 BEEDRO COCC#CC[N@H+](C)C1CCC(C)CC1 ZINC000677132538 487979475 /nfs/dbraw/zinc/97/94/75/487979475.db2.gz CWYFLSYGRYSRRL-UHFFFAOYSA-N 1 0 209.333 2.147 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000677133498 487980800 /nfs/dbraw/zinc/98/08/00/487980800.db2.gz ZFAMPIHSOXYSMJ-OAHLLOKOSA-N 1 0 229.323 2.126 20 30 BEEDRO CC(C)OCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185898707 487980984 /nfs/dbraw/zinc/98/09/84/487980984.db2.gz CZBNGIRHQRDMAL-NEPJUHHUSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185898686 487981126 /nfs/dbraw/zinc/98/11/26/487981126.db2.gz CZBNGIRHQRDMAL-VXGBXAGGSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185898666 487981158 /nfs/dbraw/zinc/98/11/58/487981158.db2.gz CZBNGIRHQRDMAL-RYUDHWBXSA-N 1 0 210.321 2.083 20 30 BEEDRO CCO[C@@]1(C)C[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602722993 487997995 /nfs/dbraw/zinc/99/79/95/487997995.db2.gz KATLAMZDGZQTHV-TUAOUCFPSA-N 1 0 210.321 2.083 20 30 BEEDRO CC(C)OC(=O)CC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC001172744424 974920214 /nfs/dbraw/zinc/92/02/14/974920214.db2.gz RVHUDYGCOGCIQM-LLVKDONJSA-N 1 0 238.331 2.000 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000682369022 488015927 /nfs/dbraw/zinc/01/59/27/488015927.db2.gz OBSDCIHBODQYBQ-OLZOCXBDSA-N 1 0 209.333 2.289 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]CCc1ccc(Cl)cc1 ZINC000320704064 488024527 /nfs/dbraw/zinc/02/45/27/488024527.db2.gz YRKNIJKKCGIDHT-ZDUSSCGKSA-N 1 0 239.746 2.409 20 30 BEEDRO COCC#CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000682777271 488037953 /nfs/dbraw/zinc/03/79/53/488037953.db2.gz JHOHVTBKRPDCMG-FRRDWIJNSA-N 1 0 209.333 2.003 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)CCOc1ccccc1C ZINC000677476508 488044498 /nfs/dbraw/zinc/04/44/98/488044498.db2.gz RZWGJSOBBAIVOC-AWEZNQCLSA-N 1 0 249.354 2.243 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)CCOc1ccc(C)cc1 ZINC000677475913 488044980 /nfs/dbraw/zinc/04/49/80/488044980.db2.gz ILLGLVXYQHJTIO-OAHLLOKOSA-N 1 0 249.354 2.243 20 30 BEEDRO C=C(C)[C@H](CO)[N@H+](C)Cc1ccc(F)cc1 ZINC000677476245 488045499 /nfs/dbraw/zinc/04/54/99/488045499.db2.gz MVQJIHKYRINFOS-ZDUSSCGKSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C(C)[C@@H](CO)[N@H+](C)Cc1cccc(F)c1 ZINC000677476692 488045906 /nfs/dbraw/zinc/04/59/06/488045906.db2.gz AXXNMXNVCUZYBG-CYBMUJFWSA-N 1 0 223.291 2.195 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(OCC(C)C)CC1 ZINC000677478333 488048290 /nfs/dbraw/zinc/04/82/90/488048290.db2.gz VMCDKPJMHWJEAR-CQSZACIVSA-N 1 0 241.375 2.060 20 30 BEEDRO COCCCC[N@H+](C)Cc1ccccc1C#N ZINC000397221271 488049063 /nfs/dbraw/zinc/04/90/63/488049063.db2.gz OSYUOLBZKSAKGP-UHFFFAOYSA-N 1 0 232.327 2.417 20 30 BEEDRO CC[N@H+](CC#CCOC)[C@H](C)c1cccc(O)c1 ZINC000677478538 488048845 /nfs/dbraw/zinc/04/88/45/488048845.db2.gz AETOAZBAIVYHGY-CYBMUJFWSA-N 1 0 247.338 2.425 20 30 BEEDRO CC[NH+]1CCC(CNc2ccc(C#N)nc2)CC1 ZINC000147713481 488053167 /nfs/dbraw/zinc/05/31/67/488053167.db2.gz QKWYZFLOUWQWQI-UHFFFAOYSA-N 1 0 244.342 2.097 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661829357 488056130 /nfs/dbraw/zinc/05/61/30/488056130.db2.gz YQGXFPAGRVMVAZ-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=CCC1([NH2+]C[C@H](O)CCOCC)CCCC1 ZINC000661850741 488063008 /nfs/dbraw/zinc/06/30/08/488063008.db2.gz NWHDTWGZGXKLQT-CYBMUJFWSA-N 1 0 241.375 2.252 20 30 BEEDRO CC[N@H+](CC#Cc1ccccc1)C[C@H]1CCOC1 ZINC000683002307 488084802 /nfs/dbraw/zinc/08/48/02/488084802.db2.gz IILVCJBZDLSYIC-MRXNPFEDSA-N 1 0 243.350 2.397 20 30 BEEDRO C=CCC[C@@H](C)[NH2+][C@@H]1CCN(CCC)C1 ZINC000389339383 488090677 /nfs/dbraw/zinc/09/06/77/488090677.db2.gz IXEQSCCLCNFZJV-CHWSQXEVSA-N 1 0 210.365 2.415 20 30 BEEDRO COC(C)(C)C[N@H+](C)CC#Cc1ccccc1 ZINC000683012442 488091571 /nfs/dbraw/zinc/09/15/71/488091571.db2.gz UULSRSCWLDKBGC-UHFFFAOYSA-N 1 0 231.339 2.395 20 30 BEEDRO CC[N@@H+]1CCN(CC#Cc2ccccc2)C[C@H]1C ZINC000683019539 488095403 /nfs/dbraw/zinc/09/54/03/488095403.db2.gz QMOYQHCKHZPORL-OAHLLOKOSA-N 1 0 242.366 2.064 20 30 BEEDRO C=CCC[C@@H](O)C[N@@H+](C)Cc1ccn(CC)c1 ZINC000683031680 488101631 /nfs/dbraw/zinc/10/16/31/488101631.db2.gz YNLOQFRYPKVULY-CQSZACIVSA-N 1 0 236.359 2.267 20 30 BEEDRO C=CC[N@@H+](CCCOC(C)(C)C)CCOC ZINC000683041427 488103209 /nfs/dbraw/zinc/10/32/09/488103209.db2.gz WGFLJYFCTDWWAH-UHFFFAOYSA-N 1 0 229.364 2.326 20 30 BEEDRO C=C(C)CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667733620 488104494 /nfs/dbraw/zinc/10/44/94/488104494.db2.gz KSZBZCGWTZRZLG-UHFFFAOYSA-N 1 0 233.315 2.233 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1(COC)CCC1 ZINC000451678255 488108297 /nfs/dbraw/zinc/10/82/97/488108297.db2.gz DLQPWSFNDCUWON-OLZOCXBDSA-N 1 0 239.359 2.126 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112551 487537408 /nfs/dbraw/zinc/53/74/08/487537408.db2.gz VRHVSPASPLOUFC-LBPRGKRZSA-N 1 0 209.333 2.004 20 30 BEEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000670108178 488116495 /nfs/dbraw/zinc/11/64/95/488116495.db2.gz DHKMSHXEGJZFEZ-UWVGGRQHSA-N 1 0 217.259 2.102 20 30 BEEDRO C#CCCCC[NH2+][C@@H](C)CCC(=O)OC(C)C ZINC001172753651 974929262 /nfs/dbraw/zinc/92/92/62/974929262.db2.gz UVEQZHVBGHWZOJ-ZDUSSCGKSA-N 1 0 239.359 2.500 20 30 BEEDRO C=CCOc1ccc(C[NH2+]C2([C@H](C)O)CC2)cc1 ZINC000668696408 488125703 /nfs/dbraw/zinc/12/57/03/488125703.db2.gz OZQQNAMIIAXUKD-LBPRGKRZSA-N 1 0 247.338 2.254 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2([C@@H](C)O)CC2)C1 ZINC000668699566 488130922 /nfs/dbraw/zinc/13/09/22/488130922.db2.gz FSUVIWBYKWCMKI-IJLUTSLNSA-N 1 0 209.333 2.234 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000231799921 487475864 /nfs/dbraw/zinc/47/58/64/487475864.db2.gz CFJVVULFCHYERE-LBPRGKRZSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCc2cccnc21 ZINC000684961050 487475928 /nfs/dbraw/zinc/47/59/28/487475928.db2.gz XNQLYCAMBCVITC-TZMCWYRMSA-N 1 0 246.354 2.233 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCc2cccnc21 ZINC000684961046 487476008 /nfs/dbraw/zinc/47/60/08/487476008.db2.gz XNQLYCAMBCVITC-JSGCOSHPSA-N 1 0 246.354 2.233 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](c2ccc(F)cc2)C1 ZINC000677820422 487519091 /nfs/dbraw/zinc/51/90/91/487519091.db2.gz MUCIWEZFCYQZQH-AWEZNQCLSA-N 1 0 247.313 2.265 20 30 BEEDRO CCC[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC000677820761 487520541 /nfs/dbraw/zinc/52/05/41/487520541.db2.gz VWQJYKVXKNGVBW-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C=CCCC(C)(C)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000668777877 487524082 /nfs/dbraw/zinc/52/40/82/487524082.db2.gz BKJRAAGSTKZNIK-GFCCVEGCSA-N 1 0 248.374 2.259 20 30 BEEDRO COCC#CC[N@@H+]1CC[C@H](C)C[C@@H](C)C1 ZINC000677819682 488135811 /nfs/dbraw/zinc/13/58/11/488135811.db2.gz KVQFBFZRHBLMSD-QWHCGFSZSA-N 1 0 209.333 2.004 20 30 BEEDRO C=CCCn1cc(C[NH2+]C(C)(C)C2CC2)nn1 ZINC000653613413 487985151 /nfs/dbraw/zinc/98/51/51/487985151.db2.gz JLOCSXPMTAOUFT-UHFFFAOYSA-N 1 0 234.347 2.132 20 30 BEEDRO COCC#CC[N@H+](CCC(F)(F)F)CC1CC1 ZINC000677820234 488137257 /nfs/dbraw/zinc/13/72/57/488137257.db2.gz JZPMEUNXMMIPSO-UHFFFAOYSA-N 1 0 249.276 2.301 20 30 BEEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C(F)(F)F)CC1 ZINC000677840422 488138415 /nfs/dbraw/zinc/13/84/15/488138415.db2.gz PGTHDTWAAVQTHZ-SNVBAGLBSA-N 1 0 237.265 2.198 20 30 BEEDRO CO[C@H]1CC[N@@H+]([C@H](C)c2cccc(C#N)c2)C1 ZINC000275699579 488149773 /nfs/dbraw/zinc/14/97/73/488149773.db2.gz QGTVBWREAVIFOU-RISCZKNCSA-N 1 0 230.311 2.340 20 30 BEEDRO C=CCC[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000168516112 488156205 /nfs/dbraw/zinc/15/62/05/488156205.db2.gz UQDJXBIYPHYRAZ-LLVKDONJSA-N 1 0 205.301 2.489 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@](C)(O)COC ZINC000657876961 488158899 /nfs/dbraw/zinc/15/88/99/488158899.db2.gz HOORGVGKAJFHPS-MGPQQGTHSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C[C@H](CO)[NH2+]Cc1ccc(CCC)cc1 ZINC000390548695 488166385 /nfs/dbraw/zinc/16/63/85/488166385.db2.gz NSLMMKQXOHOALO-CQSZACIVSA-N 1 0 219.328 2.276 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000380069308 488171446 /nfs/dbraw/zinc/17/14/46/488171446.db2.gz CUJGKMJMCBDTIS-STQMWFEESA-N 1 0 209.333 2.357 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H]1CCCSCC1 ZINC000657926459 488183279 /nfs/dbraw/zinc/18/32/79/488183279.db2.gz JZEXQYAZWRWCTC-GFCCVEGCSA-N 1 0 229.389 2.454 20 30 BEEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2ccc(F)cc2C1 ZINC000678049332 488186193 /nfs/dbraw/zinc/18/61/93/488186193.db2.gz HWYIBLPHNFYWBR-CQSZACIVSA-N 1 0 235.302 2.121 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668100367 488203532 /nfs/dbraw/zinc/20/35/32/488203532.db2.gz KQNXGSWEZYHBCO-AVGNSLFASA-N 1 0 209.333 2.498 20 30 BEEDRO C=CC[N@@H+](CCCc1cnn(C)c1)C1CC1 ZINC000678537117 488264784 /nfs/dbraw/zinc/26/47/84/488264784.db2.gz GVWLXQQFQGQPON-UHFFFAOYSA-N 1 0 219.332 2.003 20 30 BEEDRO C=CCCC[C@@H](C)[N@H+](CC)CC(=O)N(C)C ZINC000678714849 488277027 /nfs/dbraw/zinc/27/70/27/488277027.db2.gz UBPUCKTWQQKXCZ-GFCCVEGCSA-N 1 0 226.364 2.141 20 30 BEEDRO CCC#C[C@H](C)[N@H+](CC)Cc1cnn(C)c1 ZINC000678714883 488277129 /nfs/dbraw/zinc/27/71/29/488277129.db2.gz WGOJYONSMITTIW-LBPRGKRZSA-N 1 0 219.332 2.044 20 30 BEEDRO COCC#CC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000678893807 488293734 /nfs/dbraw/zinc/29/37/34/488293734.db2.gz VSHCYOGMKZRRLO-OAHLLOKOSA-N 1 0 229.323 2.377 20 30 BEEDRO CCC#C[C@H](C)N1CCO[C@H](C(C)C)C1 ZINC000679218345 488317946 /nfs/dbraw/zinc/31/79/46/488317946.db2.gz AXILAHTXMPCJOD-STQMWFEESA-N 1 0 209.333 2.145 20 30 BEEDRO CCC#C[C@@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000679218342 488318134 /nfs/dbraw/zinc/31/81/34/488318134.db2.gz AXILAHTXMPCJOD-CHWSQXEVSA-N 1 0 209.333 2.145 20 30 BEEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)C1CCC1 ZINC000491792958 490119659 /nfs/dbraw/zinc/11/96/59/490119659.db2.gz IOYBAQOEYAPTCB-OCCSQVGLSA-N 1 0 249.354 2.063 20 30 BEEDRO C[NH+]=C(NCc1ccco1)N1CCC(C)CC1 ZINC000073450806 490293748 /nfs/dbraw/zinc/29/37/48/490293748.db2.gz UUCINLPDEQTIQR-UHFFFAOYSA-N 1 0 235.331 2.087 20 30 BEEDRO C=CCC[NH2+]CCCc1ccc(C)nc1 ZINC000668483714 490296146 /nfs/dbraw/zinc/29/61/46/490296146.db2.gz ZGTSEAORSDZPFR-UHFFFAOYSA-N 1 0 204.317 2.488 20 30 BEEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NCC#N ZINC000336782403 490370018 /nfs/dbraw/zinc/37/00/18/490370018.db2.gz XNARFIDRJHLWQQ-CHWSQXEVSA-N 1 0 223.364 2.000 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1nn(C)c2ccccc12 ZINC000130488305 490388834 /nfs/dbraw/zinc/38/88/34/490388834.db2.gz RGOLUXAKFNRBCY-JTQLQIEISA-N 1 0 215.300 2.237 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](O)C(F)(F)F ZINC000222615508 490650888 /nfs/dbraw/zinc/65/08/88/490650888.db2.gz HXIJYDWPDCGRCA-HRDYMLBCSA-N 1 0 225.254 2.100 20 30 BEEDRO COCC#CC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000308919281 491050410 /nfs/dbraw/zinc/05/04/10/491050410.db2.gz GQVZIIRPOSMNHX-YNEHKIRRSA-N 1 0 209.333 2.051 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccc(O)cc1 ZINC000163434405 491105967 /nfs/dbraw/zinc/10/59/67/491105967.db2.gz WXXCSBHXJCRMSP-UHFFFAOYSA-N 1 0 204.273 2.176 20 30 BEEDRO CC#CCN1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000081532913 491135249 /nfs/dbraw/zinc/13/52/49/491135249.db2.gz AUQUPEUQIHJSGK-MRXNPFEDSA-N 1 0 242.366 2.216 20 30 BEEDRO COCC#CC[NH2+][C@@H](c1cccs1)C1CC1 ZINC000309630913 491153190 /nfs/dbraw/zinc/15/31/90/491153190.db2.gz HRRLTSFYQBONPI-CYBMUJFWSA-N 1 0 235.352 2.439 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000310690428 491162365 /nfs/dbraw/zinc/16/23/65/491162365.db2.gz XCVZZCPQSPSJMJ-OAHLLOKOSA-N 1 0 247.338 2.475 20 30 BEEDRO C[C@H]([NH2+]CCCCO)c1ccc(C#N)cc1F ZINC000494496828 533843980 /nfs/dbraw/zinc/84/39/80/533843980.db2.gz PYBONSNAHJOGNM-JTQLQIEISA-N 1 0 236.290 2.120 20 30 BEEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000306528876 533993812 /nfs/dbraw/zinc/99/38/12/533993812.db2.gz FAGSIUMIZQKLFM-ZRUFSTJUSA-N 1 0 210.346 2.162 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]Cc1cccc(OC)c1O ZINC000054182890 535725845 /nfs/dbraw/zinc/72/58/45/535725845.db2.gz VXHQCAUYVRLFNM-NSHDSACASA-N 1 0 234.299 2.183 20 30 BEEDRO CCNC(N[C@@H]1C[C@H]1Cc1ccccc1)=[NH+]CC ZINC000267435118 535786983 /nfs/dbraw/zinc/78/69/83/535786983.db2.gz NRQFUNZNROQMBJ-ZIAGYGMSSA-N 1 0 245.370 2.193 20 30 BEEDRO CC[C@@H]([NH2+]CCCCC#N)[C@H]1CCOC1 ZINC000167262598 535803535 /nfs/dbraw/zinc/80/35/35/535803535.db2.gz WZZJGCOMPWCPGM-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)COC(C)C ZINC000337241495 534326242 /nfs/dbraw/zinc/32/62/42/534326242.db2.gz FQIWEUOAKAZIBX-RDBSUJKOSA-N 1 0 241.375 2.371 20 30 BEEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C1CC(C)C1 ZINC000309121515 534351636 /nfs/dbraw/zinc/35/16/36/534351636.db2.gz OASUZQJZLHLTBI-POOIEITISA-N 1 0 209.333 2.356 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cccc(OC)n1 ZINC000122169226 534351946 /nfs/dbraw/zinc/35/19/46/534351946.db2.gz MJRDKEHXSZJFOL-JTQLQIEISA-N 1 0 206.289 2.144 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](CO)c1cccnc1 ZINC000348710549 534353906 /nfs/dbraw/zinc/35/39/06/534353906.db2.gz ZXUFBTOYVGOMLX-GZBFAFLISA-N 1 0 248.370 2.348 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C1CCC(C(N)=O)CC1 ZINC000358177929 534355783 /nfs/dbraw/zinc/35/57/83/534355783.db2.gz PLWFYHXUBVFXEZ-ZFDZMSFRSA-N 1 0 238.375 2.221 20 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C=CC[C@H](CO)C[NH2+]Cc1ccccc1OCC ZINC000341327362 534397663 /nfs/dbraw/zinc/39/76/63/534397663.db2.gz ZSSMJSGITDHUDV-ZDUSSCGKSA-N 1 0 249.354 2.360 20 30 BEEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCC1(C)C ZINC000309156055 534400569 /nfs/dbraw/zinc/40/05/69/534400569.db2.gz XKFIBDFHSAFKNF-NWDGAFQWSA-N 1 0 211.349 2.339 20 30 BEEDRO C=C(CC)C[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000358752803 534416601 /nfs/dbraw/zinc/41/66/01/534416601.db2.gz QLQHBJWSNYTFAS-UHFFFAOYSA-N 1 0 240.391 2.483 20 30 BEEDRO C=C(CC)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000309114848 534419368 /nfs/dbraw/zinc/41/93/68/534419368.db2.gz LAEPIPBIVKJEJH-SNVBAGLBSA-N 1 0 207.321 2.345 20 30 BEEDRO C=C(Cl)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000366422153 534436272 /nfs/dbraw/zinc/43/62/72/534436272.db2.gz RYICWDGXLPRGLE-LBPRGKRZSA-N 1 0 229.751 2.487 20 30 BEEDRO C=C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000336573916 534456670 /nfs/dbraw/zinc/45/66/70/534456670.db2.gz WKGLRRPLNOJLKU-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=C1CC[NH+](CCc2ccnn2CC)CC1 ZINC000284434354 534464191 /nfs/dbraw/zinc/46/41/91/534464191.db2.gz PPPTVSAPMDISSA-UHFFFAOYSA-N 1 0 219.332 2.098 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000123193020 534506743 /nfs/dbraw/zinc/50/67/43/534506743.db2.gz OEFYNALGKUNNIM-SECBINFHSA-N 1 0 206.245 2.259 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)cc1 ZINC000122380169 534508581 /nfs/dbraw/zinc/50/85/81/534508581.db2.gz YNKIUDDFIBQTLS-SNVBAGLBSA-N 1 0 219.284 2.137 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000358294306 534510671 /nfs/dbraw/zinc/51/06/71/534510671.db2.gz JLSLYSKSBNMYCP-NEPJUHHUSA-N 1 0 242.326 2.492 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353402101 534511116 /nfs/dbraw/zinc/51/11/16/534511116.db2.gz JQQANVWWCWTGHN-ZJUUUORDSA-N 1 0 246.310 2.243 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000133643877 534512653 /nfs/dbraw/zinc/51/26/53/534512653.db2.gz DQFANHPRVUUOOI-MNOVXSKESA-N 1 0 205.301 2.404 20 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C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1 ZINC000336091899 534558444 /nfs/dbraw/zinc/55/84/44/534558444.db2.gz OLBHKYFKTKZCTG-CYBMUJFWSA-N 1 0 236.359 2.039 20 30 BEEDRO C=CCC1(C(=O)N[C@H](C)CC[NH+](C)C)CCC1 ZINC000358778594 534590653 /nfs/dbraw/zinc/59/06/53/534590653.db2.gz HNUHJHYMNVVGHQ-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCO[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001332104686 974952899 /nfs/dbraw/zinc/95/28/99/974952899.db2.gz IMBMRNGRIAKIPA-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO C=CCCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000338674929 534620036 /nfs/dbraw/zinc/62/00/36/534620036.db2.gz RDJJOIHVWQELJG-OLZOCXBDSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CCCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000175775845 534647210 /nfs/dbraw/zinc/64/72/10/534647210.db2.gz GYLXPCMRBKSMKO-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO CC(C)(C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336665330 534650851 /nfs/dbraw/zinc/65/08/51/534650851.db2.gz LNGLXDUFKYTFIG-TUAOUCFPSA-N 1 0 224.348 2.065 20 30 BEEDRO C=CCCCC(=O)NCCC[NH+](CC)CC ZINC000359887329 534657410 /nfs/dbraw/zinc/65/74/10/534657410.db2.gz OTLDWCRWXAZUHY-UHFFFAOYSA-N 1 0 226.364 2.191 20 30 BEEDRO C=CCCCC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000176086797 534652653 /nfs/dbraw/zinc/65/26/53/534652653.db2.gz RVFCJLMLXWAWKP-ZDUSSCGKSA-N 1 0 238.375 2.143 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@H]1CC=CCC1 ZINC000261535974 534661970 /nfs/dbraw/zinc/66/19/70/534661970.db2.gz PXLDPHJDSCHVQW-JTQLQIEISA-N 1 0 209.337 2.046 20 30 BEEDRO C=C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000362897235 534662232 /nfs/dbraw/zinc/66/22/32/534662232.db2.gz UVVPHTOMMBJQED-NSHDSACASA-N 1 0 232.327 2.053 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NC[C@@H]1C[C@H]1C1CCC1 ZINC000263066198 534662623 /nfs/dbraw/zinc/66/26/23/534662623.db2.gz ODPVJOCKOSWSSG-QWRGUYRKSA-N 1 0 223.364 2.125 20 30 BEEDRO CC(C)(C)NC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263259827 534663749 /nfs/dbraw/zinc/66/37/49/534663749.db2.gz LWLKKAMQWHJUQD-VIFPVBQESA-N 1 0 209.337 2.022 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1cc(C(=O)OCC)co1 ZINC000309936563 534665294 /nfs/dbraw/zinc/66/52/94/534665294.db2.gz AFQOZBQKGWSVBH-VIFPVBQESA-N 1 0 223.272 2.120 20 30 BEEDRO C=CCCCCC[N@@H+](C)[C@@H](C)C(=O)OC ZINC000121873787 534675784 /nfs/dbraw/zinc/67/57/84/534675784.db2.gz SJFKDAMNTNEKEZ-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000353569522 534685436 /nfs/dbraw/zinc/68/54/36/534685436.db2.gz RAOUZXFKEJUSFT-FRRDWIJNSA-N 1 0 241.375 2.107 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@H](CC)c1cccs1 ZINC000308585239 534685510 /nfs/dbraw/zinc/68/55/10/534685510.db2.gz IDDPBCQYPUYGBO-NXEZZACHSA-N 1 0 211.330 2.336 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000353563646 534683979 /nfs/dbraw/zinc/68/39/79/534683979.db2.gz GAECYTNSQIUHOI-ZYHUDNBSSA-N 1 0 235.327 2.430 20 30 BEEDRO C=CCCCC[NH2+]Cc1nn(CC)nc1C ZINC000295449058 534692331 /nfs/dbraw/zinc/69/23/31/534692331.db2.gz QBCKRRNPYGIEFT-UHFFFAOYSA-N 1 0 222.336 2.052 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCn1cc(C)cn1 ZINC000342116878 534694355 /nfs/dbraw/zinc/69/43/55/534694355.db2.gz BTYCIMCLENZMMP-ZDUSSCGKSA-N 1 0 219.332 2.232 20 30 BEEDRO C=CCCC[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000076738029 534706289 /nfs/dbraw/zinc/70/62/89/534706289.db2.gz IHHOEFIETSFCJB-UHFFFAOYSA-N 1 0 238.375 2.333 20 30 BEEDRO N#CCSCCC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152881396 534706735 /nfs/dbraw/zinc/70/67/35/534706735.db2.gz NVENUQMGQWEMPQ-VXGBXAGGSA-N 1 0 224.373 2.365 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@](C)(O)C(F)(F)F ZINC000337132734 534709861 /nfs/dbraw/zinc/70/98/61/534709861.db2.gz AMTGQXFDIBJMPC-VIFPVBQESA-N 1 0 225.254 2.198 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000076735587 534714225 /nfs/dbraw/zinc/71/42/25/534714225.db2.gz JKHKPMDBWNSERD-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000121125454 534714452 /nfs/dbraw/zinc/71/44/52/534714452.db2.gz MSMAGNMVBUTBDG-LLVKDONJSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCCC[N@H+](CC(=O)OC)[C@@H](C)CC ZINC000281226354 534715523 /nfs/dbraw/zinc/71/55/23/534715523.db2.gz FATPRNHSBSSOQK-NSHDSACASA-N 1 0 213.321 2.226 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](CC)[S@@](=O)[C@@H](C)C1 ZINC000352884149 534722563 /nfs/dbraw/zinc/72/25/63/534722563.db2.gz LGZDYOYQFFULLW-ZOWXZIJZSA-N 1 0 229.389 2.184 20 30 BEEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000373811220 534722993 /nfs/dbraw/zinc/72/29/93/534722993.db2.gz LOMQYBBJHKOPGT-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@H](C)N(CC)C[C@H]1C ZINC000346204218 534723020 /nfs/dbraw/zinc/72/30/20/534723020.db2.gz ZESFNHMVYCXDGX-CHWSQXEVSA-N 1 0 210.365 2.367 20 30 BEEDRO C=CCCC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000368446514 534723166 /nfs/dbraw/zinc/72/31/66/534723166.db2.gz KYYUJPKQHWROGX-CQSZACIVSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[NH2+]Cc1ccoc1C(=O)OC ZINC000303988648 534734320 /nfs/dbraw/zinc/73/43/20/534734320.db2.gz OKBPFCVVCCDTIC-UHFFFAOYSA-N 1 0 223.272 2.122 20 30 BEEDRO C=CCCC[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000309140723 534735862 /nfs/dbraw/zinc/73/58/62/534735862.db2.gz SYBLDWBZWZISLW-AAEUAGOBSA-N 1 0 208.349 2.025 20 30 BEEDRO C=CCCC[NH2+][C@H](C)c1nnc(C)s1 ZINC000308672466 534736565 /nfs/dbraw/zinc/73/65/65/534736565.db2.gz VIYUACZDNVRHLD-MRVPVSSYSA-N 1 0 211.334 2.463 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCN(C(C)C)C(=O)C1 ZINC000356400146 534755633 /nfs/dbraw/zinc/75/56/33/534755633.db2.gz ZFBLUTCYIICZTL-ZDUSSCGKSA-N 1 0 238.375 2.284 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@](F)(CO)C1 ZINC000338593200 534756353 /nfs/dbraw/zinc/75/63/53/534756353.db2.gz PGFHUPPNLGUKHS-NWDGAFQWSA-N 1 0 215.312 2.138 20 30 BEEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000346201426 534756748 /nfs/dbraw/zinc/75/67/48/534756748.db2.gz RYWHLXQGVPAPGE-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NCCC(C)C ZINC000342743327 534769449 /nfs/dbraw/zinc/76/94/49/534769449.db2.gz ZGMNGHGCUDJUNY-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)N1CCCCCC1 ZINC000342735598 534769570 /nfs/dbraw/zinc/76/95/70/534769570.db2.gz ICEQIMDDXHUAKM-CYBMUJFWSA-N 1 0 238.375 2.285 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)CCC ZINC000342719380 534769940 /nfs/dbraw/zinc/76/99/40/534769940.db2.gz ISZOCIIGMAMANL-RYUDHWBXSA-N 1 0 226.364 2.188 20 30 BEEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NCCC(C)C ZINC000342743326 534771123 /nfs/dbraw/zinc/77/11/23/534771123.db2.gz ZGMNGHGCUDJUNY-GFCCVEGCSA-N 1 0 226.364 2.045 20 30 BEEDRO C=CCC[N@@H+]([C@@H](CC)C(=O)OCC)C1CC1 ZINC000338544097 534774714 /nfs/dbraw/zinc/77/47/14/534774714.db2.gz JPBZOOWYWWTHGG-LBPRGKRZSA-N 1 0 225.332 2.369 20 30 BEEDRO C=CCCOCC[NH2+][C@@H]1CCC[C@H]1COCC ZINC000354581336 534777576 /nfs/dbraw/zinc/77/75/76/534777576.db2.gz XLPKRXWPEYYTSD-UONOGXRCSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@H]1COCC ZINC000354581332 534779888 /nfs/dbraw/zinc/77/98/88/534779888.db2.gz XLPKRXWPEYYTSD-KBPBESRZSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCCOCC[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000337492560 534780683 /nfs/dbraw/zinc/78/06/83/534780683.db2.gz XCLCJPBSZSVBEZ-KGLIPLIRSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCC[C@@H]([NH2+]C[C@](C)(O)CC)C1CC1 ZINC000121056313 534797762 /nfs/dbraw/zinc/79/77/62/534797762.db2.gz GFQCMRYMCLMWJT-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000361137213 534799318 /nfs/dbraw/zinc/79/93/18/534799318.db2.gz VAEZGUUBRGMLPR-ZWNOBZJWSA-N 1 0 238.306 2.198 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000336731239 534805838 /nfs/dbraw/zinc/80/58/38/534805838.db2.gz KPKAVOIQNDZTFP-RWMBFGLXSA-N 1 0 211.349 2.482 20 30 BEEDRO C=CCN(CC=C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000339886258 534825545 /nfs/dbraw/zinc/82/55/45/534825545.db2.gz BYQCLEHRTBUDEL-UHFFFAOYSA-N 1 0 241.294 2.149 20 30 BEEDRO C=CC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000336258180 534846939 /nfs/dbraw/zinc/84/69/39/534846939.db2.gz UMWVPRNADKCRMT-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C=CC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000371836359 534847387 /nfs/dbraw/zinc/84/73/87/534847387.db2.gz YPXPNMGXZRVFLC-UHFFFAOYSA-N 1 0 217.316 2.150 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)c1cccc(C)c1 ZINC000286026517 534859218 /nfs/dbraw/zinc/85/92/18/534859218.db2.gz IZXPOGUGHADCOT-CQSZACIVSA-N 1 0 246.354 2.338 20 30 BEEDRO C=CCNC(=O)C[NH2+][C@H](CC)c1ccc(C)cc1 ZINC000120539528 534859446 /nfs/dbraw/zinc/85/94/46/534859446.db2.gz DJVOSVYVJJDZGN-CQSZACIVSA-N 1 0 246.354 2.338 20 30 BEEDRO C=CCOCCC[N@@H+](C)Cc1cnccc1C ZINC000361412782 534873662 /nfs/dbraw/zinc/87/36/62/534873662.db2.gz MTODYKYKRUQLGK-UHFFFAOYSA-N 1 0 234.343 2.415 20 30 BEEDRO C=CCOCCC[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000348098183 534874240 /nfs/dbraw/zinc/87/42/40/534874240.db2.gz FAKPPVKVZWFLOT-KGLIPLIRSA-N 1 0 241.375 2.062 20 30 BEEDRO C=CCOCCC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000347962080 534874712 /nfs/dbraw/zinc/87/47/12/534874712.db2.gz HUNFHLNNRIZUPS-ZDUSSCGKSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOCCC[NH2+][C@H](CC)C1CCOCC1 ZINC000348057731 534875658 /nfs/dbraw/zinc/87/56/58/534875658.db2.gz PDXBGBDKOLRFOP-CQSZACIVSA-N 1 0 241.375 2.374 20 30 BEEDRO C=CCOCCC[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000348059149 534875674 /nfs/dbraw/zinc/87/56/74/534875674.db2.gz VZXJSFNYGRSENA-KBPBESRZSA-N 1 0 239.359 2.126 20 30 BEEDRO C=CCOCC[N@@H+](CC)[C@H]1CCOC(C)(C)C1 ZINC000339200132 534876443 /nfs/dbraw/zinc/87/64/43/534876443.db2.gz DEVNFDOOGVTSQT-ZDUSSCGKSA-N 1 0 241.375 2.469 20 30 BEEDRO C=CCOCC[N@@H+](CCOC)[C@H]1CCC[C@@H]1C ZINC000339130793 534877785 /nfs/dbraw/zinc/87/77/85/534877785.db2.gz APIFWGLIBKXYFQ-KBPBESRZSA-N 1 0 241.375 2.326 20 30 BEEDRO C=CCOCC[NH+]1CCC(C)(OCC)CC1 ZINC000339207977 534878058 /nfs/dbraw/zinc/87/80/58/534878058.db2.gz NJUCJEQNHIXKMK-UHFFFAOYSA-N 1 0 227.348 2.080 20 30 BEEDRO C=CCOc1ccc(CN(C)CC[NH+](C)C)cc1 ZINC000340660016 534882311 /nfs/dbraw/zinc/88/23/11/534882311.db2.gz GMBSAXJZFJVOLZ-UHFFFAOYSA-N 1 0 248.370 2.245 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2CC[C@@H]2COC)cc1 ZINC000354059999 534882998 /nfs/dbraw/zinc/88/29/98/534882998.db2.gz ZCIMUTSXEOUQOY-CQSZACIVSA-N 1 0 247.338 2.472 20 30 BEEDRO C=CCOc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261924587 534883490 /nfs/dbraw/zinc/88/34/90/534883490.db2.gz BZLLEHPOXCEUDU-IUODEOHRSA-N 1 0 246.354 2.030 20 30 BEEDRO CC#CC[N@@H+](CCOC)[C@@H]1CCC[C@H]1C ZINC000487958595 526362848 /nfs/dbraw/zinc/36/28/48/526362848.db2.gz JJASKNHRNWAYCY-CHWSQXEVSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)CC[N@H+]1CCCC[C@@H]1COC(=O)NC ZINC000495837287 526443677 /nfs/dbraw/zinc/44/36/77/526443677.db2.gz NUVDVFVJAJXJKB-GFCCVEGCSA-N 1 0 240.347 2.163 20 30 BEEDRO C=CC[N@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC000495623156 526454106 /nfs/dbraw/zinc/45/41/06/526454106.db2.gz ZPHBGOPSEOUWEM-LBPRGKRZSA-N 1 0 240.347 2.162 20 30 BEEDRO C=CC[N@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495623155 526454281 /nfs/dbraw/zinc/45/42/81/526454281.db2.gz ZPHBGOPSEOUWEM-GFCCVEGCSA-N 1 0 240.347 2.162 20 30 BEEDRO C=C(C)CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC000479218061 526497717 /nfs/dbraw/zinc/49/77/17/526497717.db2.gz PBUZKNQERRLYMN-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C(C)C[N@H+]1C[C@H](CC)N(C(C)=O)C[C@H]1CC ZINC000472352185 526607748 /nfs/dbraw/zinc/60/77/48/526607748.db2.gz VXFBGSAXDMUJRP-KGLIPLIRSA-N 1 0 238.375 2.284 20 30 BEEDRO C=C(CC)C[N@H+](C)CCNC(=O)OC(C)(C)C ZINC000496261697 526850264 /nfs/dbraw/zinc/85/02/64/526850264.db2.gz HBWIBZKBBYUZQI-UHFFFAOYSA-N 1 0 242.363 2.409 20 30 BEEDRO C=CCSCC[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000336757297 527004598 /nfs/dbraw/zinc/00/45/98/527004598.db2.gz JZWYOTUCXUOJSI-NEPJUHHUSA-N 1 0 229.389 2.453 20 30 BEEDRO C=CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000174940801 527020792 /nfs/dbraw/zinc/02/07/92/527020792.db2.gz NEXZSAWHKSMTDJ-GFCCVEGCSA-N 1 0 238.375 2.188 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C(=O)N1CCCC1 ZINC000467403032 527034733 /nfs/dbraw/zinc/03/47/33/527034733.db2.gz GQKNTZRVNGOYMU-AGIUHOORSA-N 1 0 238.375 2.188 20 30 BEEDRO C#C[C@@H](CC)[NH+]=C(NCc1ccccc1)N(C)C ZINC000491451647 527227629 /nfs/dbraw/zinc/22/76/29/527227629.db2.gz HAMRCYULOVGLRK-AWEZNQCLSA-N 1 0 243.354 2.106 20 30 BEEDRO C#C[C@@H](CC)[NH2+][C@H]1CCCC12CCOCC2 ZINC000300976956 527246628 /nfs/dbraw/zinc/24/66/28/527246628.db2.gz SUVMDDFLDXBJOI-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO C#C[C@@H]([NH2+]C1CC(OC(C)C)C1)C(C)C ZINC000308882648 527290018 /nfs/dbraw/zinc/29/00/18/527290018.db2.gz UUARKVKHZKDNKB-WXRRBKDZSA-N 1 0 209.333 2.190 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](COC)CC(C)C)C(C)C ZINC000308971803 527293263 /nfs/dbraw/zinc/29/32/63/527293263.db2.gz ZZSZPCSKQJMBHJ-CHWSQXEVSA-N 1 0 211.349 2.295 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H](C)COC(C)C)C(C)(C)C ZINC000308854770 527293746 /nfs/dbraw/zinc/29/37/46/527293746.db2.gz PNWKCQIOBVHAPP-NWDGAFQWSA-N 1 0 211.349 2.437 20 30 BEEDRO C=CCCN(C)C(=O)c1ccccc1C[NH+](C)C ZINC000487448858 527317295 /nfs/dbraw/zinc/31/72/95/527317295.db2.gz YEMLAHUEFDVZOI-UHFFFAOYSA-N 1 0 246.354 2.396 20 30 BEEDRO C=CCC[N@H+]1CCCC[C@H]1COC(=O)NCC ZINC000495745681 527326295 /nfs/dbraw/zinc/32/62/95/527326295.db2.gz AZNTUESVKSAIID-LBPRGKRZSA-N 1 0 240.347 2.163 20 30 BEEDRO C#C[C@H](C)[N@@H+](C)Cc1cccc(COC)c1 ZINC000491486899 527333238 /nfs/dbraw/zinc/33/32/38/527333238.db2.gz ZAGHCINTVFIIRW-LBPRGKRZSA-N 1 0 217.312 2.287 20 30 BEEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCC2(CCCC2)O1 ZINC000491638836 527333516 /nfs/dbraw/zinc/33/35/16/527333516.db2.gz ZXUQSVWSPLYEDO-STQMWFEESA-N 1 0 221.344 2.432 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(C)noc1C)C(C)C ZINC000300985183 527410058 /nfs/dbraw/zinc/41/00/58/527410058.db2.gz UUFDGVVNWYJEJU-LBPRGKRZSA-N 1 0 206.289 2.039 20 30 BEEDRO C#C[C@H]([NH2+]CCC(C)(C)C(=O)OC)C(C)(C)C ZINC000491730767 527409581 /nfs/dbraw/zinc/40/95/81/527409581.db2.gz DYCPMEFWPMXBFS-NSHDSACASA-N 1 0 239.359 2.213 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)C(C)C ZINC000300912569 527409589 /nfs/dbraw/zinc/40/95/89/527409589.db2.gz MAHRKQBRHXJMGF-KBPBESRZSA-N 1 0 223.360 2.175 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)C(C)C ZINC000403978265 527410142 /nfs/dbraw/zinc/41/01/42/527410142.db2.gz FAIFZHBIVUHSBX-AWEZNQCLSA-N 1 0 230.286 2.445 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)C1CCOCC1)C(C)C ZINC000309010870 527412743 /nfs/dbraw/zinc/41/27/43/527412743.db2.gz RUDSUSHSPMTKFD-YPMHNXCESA-N 1 0 209.333 2.049 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(C)(C)C ZINC000308816824 527414281 /nfs/dbraw/zinc/41/42/81/527414281.db2.gz AWKIMOAZWUTMRB-SRVKXCTJSA-N 1 0 204.317 2.316 20 30 BEEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(C)C)C1 ZINC000472930644 527456751 /nfs/dbraw/zinc/45/67/51/527456751.db2.gz FXWQOCXECGKERE-QWHCGFSZSA-N 1 0 211.349 2.291 20 30 BEEDRO CC[N@@H+](CC#Cc1ccccc1Cl)CCO ZINC000305257054 527878791 /nfs/dbraw/zinc/87/87/91/527878791.db2.gz WUYDOADRUOPOCY-UHFFFAOYSA-N 1 0 237.730 2.006 20 30 BEEDRO CC(C)OCC[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404096534 527977118 /nfs/dbraw/zinc/97/71/18/527977118.db2.gz BADBEYRPPRGHFO-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO CCOCC[N@H+](C)Cc1ccc(C#N)c(C)c1 ZINC000488109753 528712881 /nfs/dbraw/zinc/71/28/81/528712881.db2.gz VKEOVORJQOOXEC-UHFFFAOYSA-N 1 0 232.327 2.335 20 30 BEEDRO CC(C)[N@H+](C)CCNCc1ccc(C#N)c(F)c1 ZINC000404103638 528823923 /nfs/dbraw/zinc/82/39/23/528823923.db2.gz GVKGXEMUGQFBHT-UHFFFAOYSA-N 1 0 249.333 2.127 20 30 BEEDRO CCC[NH+]1CCN(c2cccc(C#N)c2)CC1 ZINC000040934790 534934971 /nfs/dbraw/zinc/93/49/71/534934971.db2.gz PZPVLBXASPDCHR-UHFFFAOYSA-N 1 0 229.327 2.090 20 30 BEEDRO CC(C)CC[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000361275980 534947118 /nfs/dbraw/zinc/94/71/18/534947118.db2.gz ZQFOAMHTDBEFCO-ZDUSSCGKSA-N 1 0 224.348 2.019 20 30 BEEDRO CC(C)(CCC#N)CN1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353683440 534997238 /nfs/dbraw/zinc/99/72/38/534997238.db2.gz FNJUVSNYQUYODS-STQMWFEESA-N 1 0 235.375 2.000 20 30 BEEDRO CC(C)(CCC#N)C[NH2+]CC1(CO)CCCC1 ZINC000183867740 535005215 /nfs/dbraw/zinc/00/52/15/535005215.db2.gz YBIFYVYYRDKHET-UHFFFAOYSA-N 1 0 238.375 2.459 20 30 BEEDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CCC(C)(C#N)CC1 ZINC000334735620 535033756 /nfs/dbraw/zinc/03/37/56/535033756.db2.gz RIOXOILSBSXSRZ-ATJQQHLPSA-N 1 0 236.359 2.208 20 30 BEEDRO CC(C)(C)[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000304260144 535059415 /nfs/dbraw/zinc/05/94/15/535059415.db2.gz SWRXYSZEXRWRAH-NSHDSACASA-N 1 0 224.348 2.019 20 30 BEEDRO CCC(N)=[NH+]OCc1cc(F)ccc1F ZINC000299366715 535226483 /nfs/dbraw/zinc/22/64/83/535226483.db2.gz XOJQKRJSFOJSAM-UHFFFAOYSA-N 1 0 214.215 2.164 20 30 BEEDRO CCCOCc1ccccc1CNC(=[NH2+])NCC ZINC000264073640 535235344 /nfs/dbraw/zinc/23/53/44/535235344.db2.gz DXYDZWGNSYNTIK-UHFFFAOYSA-N 1 0 249.358 2.037 20 30 BEEDRO CC(C)COc1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170910580 535239165 /nfs/dbraw/zinc/23/91/65/535239165.db2.gz SAXSPQDWZGAFGP-UHFFFAOYSA-N 1 0 249.358 2.098 20 30 BEEDRO CCCCNC(=[NH2+])NCc1ccc(COC)cc1 ZINC000264120860 535261972 /nfs/dbraw/zinc/26/19/72/535261972.db2.gz UWNCEORMGPDYAM-UHFFFAOYSA-N 1 0 249.358 2.037 20 30 BEEDRO CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N1CCC[C@H](C)C1 ZINC000262535833 535263263 /nfs/dbraw/zinc/26/32/63/535263263.db2.gz JTXCIXIRLPSLJX-AVGNSLFASA-N 1 0 237.391 2.340 20 30 BEEDRO CC[NH+]=C(NCc1ccoc1)NC(C)(C)C ZINC000171607270 535266354 /nfs/dbraw/zinc/26/63/54/535266354.db2.gz GJYZZEOMKSDFGZ-UHFFFAOYSA-N 1 0 223.320 2.133 20 30 BEEDRO CC1(C)CCC[NH2+][C@H]1CNc1cc(C#N)ccn1 ZINC000232987309 535299213 /nfs/dbraw/zinc/29/92/13/535299213.db2.gz KROCNMUEUIDTQA-LBPRGKRZSA-N 1 0 244.342 2.143 20 30 BEEDRO CC(C)OCCCNC(=[NH2+])Nc1ccccc1 ZINC000195522192 535321461 /nfs/dbraw/zinc/32/14/61/535321461.db2.gz DCKHUPCFUWEAPO-UHFFFAOYSA-N 1 0 235.331 2.228 20 30 BEEDRO CC(C)CCNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000274046241 535385053 /nfs/dbraw/zinc/38/50/53/535385053.db2.gz NSEAVRVKQMJXHU-GFCCVEGCSA-N 1 0 247.342 2.071 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccccc1C ZINC000264062132 535389613 /nfs/dbraw/zinc/38/96/13/535389613.db2.gz CZJJDPRHSDRWOR-UHFFFAOYSA-N 1 0 219.332 2.152 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(C)cc1C ZINC000264076348 535389706 /nfs/dbraw/zinc/38/97/06/535389706.db2.gz FUCKAMHIHWJONR-UHFFFAOYSA-N 1 0 233.359 2.460 20 30 BEEDRO CC[NH+](CC)C[C@H](C)Nc1cccnc1C#N ZINC000129971652 535590614 /nfs/dbraw/zinc/59/06/14/535590614.db2.gz NMUXNMWGINCYKT-NSHDSACASA-N 1 0 232.331 2.095 20 30 BEEDRO CC[N@@H+]1CCN(c2ccc(F)cc2C#N)[C@H](C)C1 ZINC000286189973 535746692 /nfs/dbraw/zinc/74/66/92/535746692.db2.gz AZAVOUZBTGYQMK-LLVKDONJSA-N 1 0 247.317 2.228 20 30 BEEDRO CC[NH+]1CCN(c2cccc(Cl)c2C#N)CC1 ZINC000048935145 535749549 /nfs/dbraw/zinc/74/95/49/535749549.db2.gz OKXRQXKAXJGCLU-UHFFFAOYSA-N 1 0 249.745 2.354 20 30 BEEDRO CC[C@]1(C)C[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000339114425 535919169 /nfs/dbraw/zinc/91/91/69/535919169.db2.gz XAXAEJLXJWWZML-YNEHKIRRSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[C@H](CNC(=[NH2+])N(C)C)Oc1ccccc1C ZINC000178562099 536048930 /nfs/dbraw/zinc/04/89/30/536048930.db2.gz VWYCGMDOFXVREA-GFCCVEGCSA-N 1 0 249.358 2.029 20 30 BEEDRO CC[C@H](CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000264059006 536049428 /nfs/dbraw/zinc/04/94/28/536049428.db2.gz CBRYQMNDOAKALG-LLVKDONJSA-N 1 0 231.343 2.247 20 30 BEEDRO CC[C@H]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000263213072 536065890 /nfs/dbraw/zinc/06/58/90/536065890.db2.gz ZKYTXBKLTCFHFI-NWDGAFQWSA-N 1 0 223.364 2.094 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@H]1CC[C@H](C#N)C1 ZINC000339016403 536326063 /nfs/dbraw/zinc/32/60/63/536326063.db2.gz ANSCDGPCTVCFJS-KBPBESRZSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](CCC1CCOCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000339016405 536326140 /nfs/dbraw/zinc/32/61/40/536326140.db2.gz ANSCDGPCTVCFJS-KGLIPLIRSA-N 1 0 236.359 2.427 20 30 BEEDRO C[N@H+](CCCCC#N)CC[C@@H]1CCCO1 ZINC000342609307 536329055 /nfs/dbraw/zinc/32/90/55/536329055.db2.gz VFMDOQWDPXAQNW-LBPRGKRZSA-N 1 0 210.321 2.181 20 30 BEEDRO C[NH2+][C@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000261536409 536404479 /nfs/dbraw/zinc/40/44/79/536404479.db2.gz RPFBRMQJWIMBMI-MRVPVSSYSA-N 1 0 223.707 2.231 20 30 BEEDRO C[NH2+][C@H](C)CNc1cc(C#N)c2ccccc2n1 ZINC000261593472 536404592 /nfs/dbraw/zinc/40/45/92/536404592.db2.gz ZDQCSJVPSPXEHJ-SNVBAGLBSA-N 1 0 240.310 2.126 20 30 BEEDRO COC1(C)CC[NH+](CCCCC#N)CC1 ZINC000308983227 536563185 /nfs/dbraw/zinc/56/31/85/536563185.db2.gz FSJBWNMDWVRAAR-UHFFFAOYSA-N 1 0 210.321 2.181 20 30 BEEDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309504117 536592479 /nfs/dbraw/zinc/59/24/79/536592479.db2.gz ALCGWWZKNURIRP-QNWHQSFQSA-N 1 0 222.332 2.226 20 30 BEEDRO COc1cc(C)ccc1CNC(=[NH2+])NC(C)(C)C ZINC000268193861 536646617 /nfs/dbraw/zinc/64/66/17/536646617.db2.gz PVBHEBCAGCGVTL-UHFFFAOYSA-N 1 0 249.358 2.206 20 30 BEEDRO CO[C@H]1CCC[N@H+](CCCSCC#N)CC1 ZINC000374678432 536709065 /nfs/dbraw/zinc/70/90/65/536709065.db2.gz KXTZESIJDSYCTF-LBPRGKRZSA-N 1 0 242.388 2.134 20 30 BEEDRO COC[C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000338994128 536762672 /nfs/dbraw/zinc/76/26/72/536762672.db2.gz FPPCXNQEFBGYKT-XQQFMLRXSA-N 1 0 222.332 2.037 20 30 BEEDRO COCC(C)(C)[NH2+]Cc1cccc(C#N)c1F ZINC000223530427 536795854 /nfs/dbraw/zinc/79/58/54/536795854.db2.gz HLKITAVREWNFLA-UHFFFAOYSA-N 1 0 236.290 2.212 20 30 BEEDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1(C)C ZINC000227830914 536797428 /nfs/dbraw/zinc/79/74/28/536797428.db2.gz TWUIOXVTSFJALY-ZIAGYGMSSA-N 1 0 244.338 2.461 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C#N)co2)C1 ZINC001172927790 974975078 /nfs/dbraw/zinc/97/50/78/974975078.db2.gz GQGPEHJGGJLCFD-VXGBXAGGSA-N 1 0 234.299 2.198 20 30 BEEDRO C=CCCC[C@@H](C)[NH+]1CCC(NC(C)=O)CC1 ZINC000091509879 566312213 /nfs/dbraw/zinc/31/22/13/566312213.db2.gz PPJPQTROAKUJCH-GFCCVEGCSA-N 1 0 238.375 2.332 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)C1 ZINC000651825921 566350669 /nfs/dbraw/zinc/35/06/69/566350669.db2.gz YNZWPUWVSOLUPV-IGQOVBAYSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[N@H+]1CCC[C@H](NC(=O)C=C(C)C)[C@@H]1C ZINC001332163321 974987333 /nfs/dbraw/zinc/98/73/33/974987333.db2.gz ZHYANOWMFGKDIY-STQMWFEESA-N 1 0 236.359 2.108 20 30 BEEDRO C#C[C@@H](C)N(C)Cc1csc(C#N)c1 ZINC000894059903 583291994 /nfs/dbraw/zinc/29/19/94/583291994.db2.gz MRUFSGUACNAVNV-SECBINFHSA-N 1 0 204.298 2.073 20 30 BEEDRO N#CCC[NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1 ZINC000894084798 583295594 /nfs/dbraw/zinc/29/55/94/583295594.db2.gz VZKGXXAPSLWRBL-KGLIPLIRSA-N 1 0 236.359 2.475 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)CC1([NH3+])CCC1 ZINC000877303642 583309585 /nfs/dbraw/zinc/30/95/85/583309585.db2.gz LCYASNXBMWSUFB-UHFFFAOYSA-N 1 0 238.375 2.367 20 30 BEEDRO C=CC1CC[NH+](CN2CCSC2=S)CC1 ZINC000111166783 588725908 /nfs/dbraw/zinc/72/59/08/588725908.db2.gz QBCWGFFCWDAEBB-UHFFFAOYSA-N 1 0 242.413 2.176 20 30 BEEDRO C#Cc1cccnc1N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000853246080 588728637 /nfs/dbraw/zinc/72/86/37/588728637.db2.gz RXNAPJPAAZYWED-CQSZACIVSA-N 1 0 243.354 2.030 20 30 BEEDRO FC(F)(F)[C@H]1CCC[C@@H](C=[NH+]n2cnnc2)C1 ZINC000853253862 588729279 /nfs/dbraw/zinc/72/92/79/588729279.db2.gz HIIBOXWPOPNALX-BDAKNGLRSA-N 1 0 246.236 2.481 20 30 BEEDRO CC(C)CON=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853322925 588732703 /nfs/dbraw/zinc/73/27/03/588732703.db2.gz IROWHGVCGASBGJ-UHFFFAOYSA-N 1 0 244.298 2.274 20 30 BEEDRO CCCON=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853368150 588738461 /nfs/dbraw/zinc/73/84/61/588738461.db2.gz CUKLDZRZNDVDST-UHFFFAOYSA-N 1 0 230.271 2.028 20 30 BEEDRO CC[C@@H]1CCCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000853329566 588733506 /nfs/dbraw/zinc/73/35/06/588733506.db2.gz BTTJZJAQBBLCCA-WDEREUQCSA-N 1 0 236.363 2.270 20 30 BEEDRO C[C@H]1CNC(NN=C2CCC(=C3CCC3)CC2)=[NH+]1 ZINC000853330750 588733875 /nfs/dbraw/zinc/73/38/75/588733875.db2.gz UXCOIRPBUQWQFA-JTQLQIEISA-N 1 0 246.358 2.334 20 30 BEEDRO CC(C)c1cccc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000853330806 588733941 /nfs/dbraw/zinc/73/39/41/588733941.db2.gz VZYGXSPYQVXAKE-LLVKDONJSA-N 1 0 244.342 2.081 20 30 BEEDRO C[C@@H]1CCCCN1[NH+]=Cc1cnccc1N(C)C ZINC000853378630 588739022 /nfs/dbraw/zinc/73/90/22/588739022.db2.gz AGHNNCMAGLFUDN-GFCCVEGCSA-N 1 0 246.358 2.356 20 30 BEEDRO C[C@H]1CC(N=Nc2ccnc(Cl)c2)C[N@@H+]1C ZINC000853395287 588740639 /nfs/dbraw/zinc/74/06/39/588740639.db2.gz RLZQSRDILHECJY-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C[C@@H]1CC(=NOCC2CCC2)C[N@@H+]1C1CC1 ZINC000853439124 588742758 /nfs/dbraw/zinc/74/27/58/588742758.db2.gz BQGRHGWUMWIIEG-SNVBAGLBSA-N 1 0 222.332 2.416 20 30 BEEDRO C=CC[C@@H]1CCC[N@H+](CN2C(=O)CC23CCC3)C1 ZINC000853536969 588748116 /nfs/dbraw/zinc/74/81/16/588748116.db2.gz LHJPDBYKGPAZNS-CYBMUJFWSA-N 1 0 248.370 2.387 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CN1C(=O)[C@@H]2CCC[C@@H]21 ZINC000853598486 588750349 /nfs/dbraw/zinc/75/03/49/588750349.db2.gz SAPGSAWVENAVKS-RQJABVFESA-N 1 0 246.354 2.138 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000890547822 582470609 /nfs/dbraw/zinc/47/06/09/582470609.db2.gz FKVLJAVNTBXVBL-MGPQQGTHSA-N 1 0 248.370 2.180 20 30 BEEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC000890562512 582478187 /nfs/dbraw/zinc/47/81/87/582478187.db2.gz ABPNAASMAUOECH-CHWSQXEVSA-N 1 0 236.359 2.038 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000859323276 582488806 /nfs/dbraw/zinc/48/88/06/582488806.db2.gz YSICVHXGVRIPNH-UHFFFAOYSA-N 1 0 243.350 2.427 20 30 BEEDRO C#CCCOc1ccc(C[NH2+][C@H](C)COC)cc1 ZINC000113311011 588831078 /nfs/dbraw/zinc/83/10/78/588831078.db2.gz LVOKAIWJPGCOAA-CYBMUJFWSA-N 1 0 247.338 2.213 20 30 BEEDRO C=C(C)C[NH+]1CCC(C(=O)NCC(C)C)CC1 ZINC000890909547 582590173 /nfs/dbraw/zinc/59/01/73/582590173.db2.gz XBLLBEWYWMKOFS-UHFFFAOYSA-N 1 0 238.375 2.047 20 30 BEEDRO C#Cc1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC000891313893 582663485 /nfs/dbraw/zinc/66/34/85/582663485.db2.gz BXLZQZBUFSDQSJ-AWEZNQCLSA-N 1 0 244.338 2.193 20 30 BEEDRO Cc1cc(C#N)ccc1N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000846755865 582665376 /nfs/dbraw/zinc/66/53/76/582665376.db2.gz USSLYVMSXFDKCV-CHWSQXEVSA-N 1 0 243.354 2.396 20 30 BEEDRO Cc1cc(C#N)ccc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000846755867 582665423 /nfs/dbraw/zinc/66/54/23/582665423.db2.gz USSLYVMSXFDKCV-OLZOCXBDSA-N 1 0 243.354 2.396 20 30 BEEDRO C=C(Br)CN1CCC[C@H](COC)C1 ZINC000113509011 588842501 /nfs/dbraw/zinc/84/25/01/588842501.db2.gz XABISHALVAPFRX-JTQLQIEISA-N 1 0 248.164 2.253 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)c2cnc(C)cn2)C1 ZINC000847017323 582673996 /nfs/dbraw/zinc/67/39/96/582673996.db2.gz BSHBHCBAWXNJMP-OLZOCXBDSA-N 1 0 229.327 2.191 20 30 BEEDRO CCCCCCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000855639942 588843159 /nfs/dbraw/zinc/84/31/59/588843159.db2.gz QAQQICCMJJFSNR-UHFFFAOYSA-N 1 0 240.391 2.367 20 30 BEEDRO CC[C@@H]1C[N@H+](CCCSCC#N)C[C@H](C)O1 ZINC000074990661 582684621 /nfs/dbraw/zinc/68/46/21/582684621.db2.gz JSSOGUUUFGGKEI-NWDGAFQWSA-N 1 0 242.388 2.133 20 30 BEEDRO CC[N@H+](CCC#N)CC1CCC(OC)CC1 ZINC000891578646 582698563 /nfs/dbraw/zinc/69/85/63/582698563.db2.gz NMVQKLQJDKVEQB-UHFFFAOYSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(=NNCC[NH+]1CCCCC1)[C@H]1CC1(F)F ZINC000841619184 582730861 /nfs/dbraw/zinc/73/08/61/582730861.db2.gz KSQBSIDNWCQFDG-LLVKDONJSA-N 1 0 245.317 2.093 20 30 BEEDRO COC1CCC(C[N@H+](C)[C@@H](C)CC#N)CC1 ZINC000891933887 582740831 /nfs/dbraw/zinc/74/08/31/582740831.db2.gz NVYXVWKKVOGUDI-HIFPTAJRSA-N 1 0 224.348 2.426 20 30 BEEDRO Cc1cc(C#N)nc(NCC2CC[NH+](C)CC2)c1 ZINC000892254295 582813959 /nfs/dbraw/zinc/81/39/59/582813959.db2.gz OCSISWZOBMNDRY-UHFFFAOYSA-N 1 0 244.342 2.015 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc([C@H]2C[C@H]2C)o1 ZINC000848985882 582817261 /nfs/dbraw/zinc/81/72/61/582817261.db2.gz AUFWQOLTMANWJN-KOLCDFICSA-N 1 0 233.315 2.203 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000848985883 582817530 /nfs/dbraw/zinc/81/75/30/582817530.db2.gz AUFWQOLTMANWJN-MWLCHTKSSA-N 1 0 233.315 2.203 20 30 BEEDRO CC[C@@H](C)NC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028866 582832516 /nfs/dbraw/zinc/83/25/16/582832516.db2.gz JIAHFENZODFQDS-SNVBAGLBSA-N 1 0 224.352 2.229 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCc1ncccc1C ZINC000849035037 582836337 /nfs/dbraw/zinc/83/63/37/582836337.db2.gz GYMLEQBNMDQCJB-UHFFFAOYSA-N 1 0 246.358 2.013 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@@H]1C1CC1 ZINC000849041144 582839278 /nfs/dbraw/zinc/83/92/78/582839278.db2.gz LPPNSGVHEBWWAL-NWDGAFQWSA-N 1 0 221.348 2.113 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)NC(C)(C)C[NH3+] ZINC000892693977 582957684 /nfs/dbraw/zinc/95/76/84/582957684.db2.gz AJAFHYWRCSLAOS-UHFFFAOYSA-N 1 0 241.379 2.015 20 30 BEEDRO C#CC[N@H+](CC#CC)C[C@H](OC)C1CCCC1 ZINC000851786108 582967205 /nfs/dbraw/zinc/96/72/05/582967205.db2.gz WQOPMNBVGKFEDF-HNNXBMFYSA-N 1 0 233.355 2.150 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1Cc2ccccc2[C@H]1C ZINC000856395344 588871604 /nfs/dbraw/zinc/87/16/04/588871604.db2.gz DEEQJBDRUSKGRR-GFCCVEGCSA-N 1 0 244.338 2.208 20 30 BEEDRO C[C@]1(Br)C[C@H]1C[NH2+]CCCCC#N ZINC000892930348 583011212 /nfs/dbraw/zinc/01/12/12/583011212.db2.gz UBTOLJHPHKTZPP-UWVGGRQHSA-N 1 0 245.164 2.443 20 30 BEEDRO COc1ccc(C[NH2+]CCCCC#N)o1 ZINC000892929330 583011269 /nfs/dbraw/zinc/01/12/69/583011269.db2.gz HHRSMJSZIYNOMT-UHFFFAOYSA-N 1 0 208.261 2.072 20 30 BEEDRO C#CCCC[NH2+]CC1CCC(OC)CC1 ZINC000893093808 583048265 /nfs/dbraw/zinc/04/82/65/583048265.db2.gz ZMTXCFSEEFHWMH-UHFFFAOYSA-N 1 0 209.333 2.195 20 30 BEEDRO CCCCCCCCC(=O)NC[C@@H](C)[NH3+] ZINC000114576669 588876011 /nfs/dbraw/zinc/87/60/11/588876011.db2.gz LXJFMHZTXVOFGY-LLVKDONJSA-N 1 0 214.353 2.200 20 30 BEEDRO C=CCCOCC[NH2+]Cc1cnc(F)cc1C ZINC000893251080 583077956 /nfs/dbraw/zinc/07/79/56/583077956.db2.gz HCGXSFWFEMPSGQ-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO C=CCCOCC[NH2+]Cc1c(C)noc1CC ZINC000893251414 583078192 /nfs/dbraw/zinc/07/81/92/583078192.db2.gz MBGDIAAHYIMXHK-UHFFFAOYSA-N 1 0 238.331 2.228 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cn(C)nc1Cl ZINC000856770148 588876662 /nfs/dbraw/zinc/87/66/62/588876662.db2.gz NHEBYHMTEOPBNZ-QMMMGPOBSA-N 1 0 213.712 2.128 20 30 BEEDRO C#CCCCC[NH2+]Cc1cncc(OCC)c1 ZINC000856772920 588877218 /nfs/dbraw/zinc/87/72/18/588877218.db2.gz KIGPAYGEGHUKDU-UHFFFAOYSA-N 1 0 232.327 2.373 20 30 BEEDRO C=CCCC[NH2+]Cc1cn(C)nc1Cl ZINC000856782914 588877385 /nfs/dbraw/zinc/87/73/85/588877385.db2.gz HNOUMCZWQWTHMX-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO C=C(CC)C[NH2+]Cc1cn(C)nc1Cl ZINC000856789760 588877917 /nfs/dbraw/zinc/87/79/17/588877917.db2.gz KFORTAWAJHZCEQ-UHFFFAOYSA-N 1 0 213.712 2.129 20 30 BEEDRO CCOc1ccc(C[NH2+]CCCC#N)o1 ZINC000893514749 583155660 /nfs/dbraw/zinc/15/56/60/583155660.db2.gz FDJKGWXPOODXFL-UHFFFAOYSA-N 1 0 208.261 2.072 20 30 BEEDRO C[C@H](C#N)C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000893544024 583159984 /nfs/dbraw/zinc/15/99/84/583159984.db2.gz ILPUMLNUURZSGF-XSRFYTQQSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H]([NH2+]C[C@H](C)C#N)[C@H]1COc2ccccc2C1 ZINC000893544467 583160338 /nfs/dbraw/zinc/16/03/38/583160338.db2.gz LKNUWPLMMKHIDY-YRGRVCCFSA-N 1 0 244.338 2.375 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CSCCC)[C@@H]1CCCO1 ZINC000893677956 583196442 /nfs/dbraw/zinc/19/64/42/583196442.db2.gz YNFALJNJEYZGPK-AGIUHOORSA-N 1 0 241.400 2.289 20 30 BEEDRO N#Cc1cc(C[NH2+]C2CCC(O)CC2)cs1 ZINC000893691231 583200141 /nfs/dbraw/zinc/20/01/41/583200141.db2.gz ZSTHTHXAFUKEBB-UHFFFAOYSA-N 1 0 236.340 2.013 20 30 BEEDRO C=C(C)C[N@@H+](CC)Cc1c(C)ccnc1N ZINC000893878478 583240071 /nfs/dbraw/zinc/24/00/71/583240071.db2.gz WVTGJNKVNUFILR-UHFFFAOYSA-N 1 0 219.332 2.370 20 30 BEEDRO C=CCC[N@@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893930290 583250443 /nfs/dbraw/zinc/25/04/43/583250443.db2.gz XLGCRICNENVORE-VXGBXAGGSA-N 1 0 243.322 2.128 20 30 BEEDRO C=CCCCCCN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857112326 588889595 /nfs/dbraw/zinc/88/95/95/588889595.db2.gz LIRCQJMVUPSXCS-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO N#CCCCC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397659519 583323388 /nfs/dbraw/zinc/32/33/88/583323388.db2.gz FAUHKHNHCBVNGX-LBPRGKRZSA-N 1 0 205.305 2.306 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cc(OC)no1 ZINC000877635584 583340884 /nfs/dbraw/zinc/34/08/84/583340884.db2.gz XKBZELNNPCSEFV-UHFFFAOYSA-N 1 0 236.315 2.357 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000877834812 583349454 /nfs/dbraw/zinc/34/94/54/583349454.db2.gz ZSQUFEVAOOUNJW-MXAVVETBSA-N 1 0 233.355 2.336 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2cc(C)on2)CC1 ZINC000877834677 583349540 /nfs/dbraw/zinc/34/95/40/583349540.db2.gz WYKOZRVWJVWGNQ-HAQNSBGRSA-N 1 0 218.300 2.265 20 30 BEEDRO COc1ccc(O)c(/C=N/CC[C@@H](C)OC)c1 ZINC000726430454 583354429 /nfs/dbraw/zinc/35/44/29/583354429.db2.gz ZKHARKSXUVSDDF-GMROUXNLSA-N 1 0 237.299 2.245 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000878097133 583361060 /nfs/dbraw/zinc/36/10/60/583361060.db2.gz UKZSIIOJCRGQEX-STQMWFEESA-N 1 0 236.359 2.038 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@@H](CC(N)=O)C1CCCCC1 ZINC000878411023 583372203 /nfs/dbraw/zinc/37/22/03/583372203.db2.gz FFGFYUUNRRARSA-YPMHNXCESA-N 1 0 238.375 2.365 20 30 BEEDRO C#C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCCO1 ZINC000878453996 583375443 /nfs/dbraw/zinc/37/54/43/583375443.db2.gz QNXOACVGZCCEPI-UONOGXRCSA-N 1 0 233.355 2.337 20 30 BEEDRO C=C(C)C[NH+]1CCC(NCc2ocnc2C)CC1 ZINC000894229076 583384463 /nfs/dbraw/zinc/38/44/63/583384463.db2.gz MDCUHBRKOCKNFT-UHFFFAOYSA-N 1 0 249.358 2.113 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)Cc1ccsc1 ZINC000389995014 583411431 /nfs/dbraw/zinc/41/14/31/583411431.db2.gz QBELZTJCRXXICS-NSHDSACASA-N 1 0 225.357 2.471 20 30 BEEDRO C=C[C@@H](C)[NH2+]Cc1cnc2onc(C)c2c1 ZINC000894333701 583425806 /nfs/dbraw/zinc/42/58/06/583425806.db2.gz YVOGXCJQOLICQP-MRVPVSSYSA-N 1 0 217.272 2.195 20 30 BEEDRO CC(C)(O)C1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000879628231 583441960 /nfs/dbraw/zinc/44/19/60/583441960.db2.gz MIKBAINAPHBNEP-AAEUAGOBSA-N 1 0 236.359 2.162 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnn(C2CCC2)c1)C(C)C ZINC000894386733 583443396 /nfs/dbraw/zinc/44/33/96/583443396.db2.gz CYJKYIRTKBCCCN-AWEZNQCLSA-N 1 0 231.343 2.356 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000894387461 583444032 /nfs/dbraw/zinc/44/40/32/583444032.db2.gz MSIYZHZQMDEHCX-ZDUSSCGKSA-N 1 0 245.322 2.283 20 30 BEEDRO C#C[C@H](CC)[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000894387360 583444248 /nfs/dbraw/zinc/44/42/48/583444248.db2.gz MCFXBJOFYSTZKU-LKSINWNRSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1nccc2c1CCCC2 ZINC000894386631 583444382 /nfs/dbraw/zinc/44/43/82/583444382.db2.gz BWWLQXOWMWWDSE-CYBMUJFWSA-N 1 0 228.339 2.462 20 30 BEEDRO C#C[C@H]([NH2+]Cc1c(Cl)n[nH]c1CC)C(C)C ZINC000894387495 583444794 /nfs/dbraw/zinc/44/47/94/583444794.db2.gz NWUKMCZVGLXFNS-JTQLQIEISA-N 1 0 239.750 2.373 20 30 BEEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCC1CCC1 ZINC000857234816 588899282 /nfs/dbraw/zinc/89/92/82/588899282.db2.gz MXQJCYLQCADZME-LBPRGKRZSA-N 1 0 224.348 2.067 20 30 BEEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCC1CCC1 ZINC000857234815 588899395 /nfs/dbraw/zinc/89/93/95/588899395.db2.gz MXQJCYLQCADZME-GFCCVEGCSA-N 1 0 224.348 2.067 20 30 BEEDRO Cc1ccnc(N)c1CN1CCC[C@@](C)(C#N)C1 ZINC000894443031 583459851 /nfs/dbraw/zinc/45/98/51/583459851.db2.gz BIBMRUIPTPHXSS-AWEZNQCLSA-N 1 0 244.342 2.098 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H](C)COCCOC ZINC000894608994 583491805 /nfs/dbraw/zinc/49/18/05/583491805.db2.gz CFHYTDSPAMMIEC-GFCCVEGCSA-N 1 0 229.364 2.230 20 30 BEEDRO CC[C@H]1C[N@H+](C)CCN1Cc1csc(C#N)c1 ZINC000894640693 583499608 /nfs/dbraw/zinc/49/96/08/583499608.db2.gz HRURVDFFVDMRDJ-LBPRGKRZSA-N 1 0 249.383 2.146 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]C[C@H]1COCO1 ZINC000894880596 583543669 /nfs/dbraw/zinc/54/36/69/583543669.db2.gz DZHMXHHCSINLFH-RYUDHWBXSA-N 1 0 213.321 2.084 20 30 BEEDRO CC1(C)COC[C@H]1[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000894880107 583543683 /nfs/dbraw/zinc/54/36/83/583543683.db2.gz IGJVKOYICKRVQE-SDDRHHMPSA-N 1 0 222.332 2.083 20 30 BEEDRO C[C@@H](NN=C1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC000793114633 583553630 /nfs/dbraw/zinc/55/36/30/583553630.db2.gz IDBKZUTZOLQRAW-WDEREUQCSA-N 1 0 225.380 2.481 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]Cc1c(C)cccc1OC ZINC000894931049 583556378 /nfs/dbraw/zinc/55/63/78/583556378.db2.gz FGOBEBGIXOJYEC-CYBMUJFWSA-N 1 0 249.354 2.420 20 30 BEEDRO OC[C@@H]1CCC[C@@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000894945410 583557645 /nfs/dbraw/zinc/55/76/45/583557645.db2.gz XKMZCHKINRLIER-HZPDHXFCSA-N 1 0 243.350 2.179 20 30 BEEDRO N#C[C@@H]1CC[C@H](NCc2nnc(C3CC3)s2)C1 ZINC000895010835 583566999 /nfs/dbraw/zinc/56/69/99/583566999.db2.gz VZHAIPMGXQZFSC-SCZZXKLOSA-N 1 0 248.355 2.197 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)CCC=C(C)C ZINC000895095205 583587834 /nfs/dbraw/zinc/58/78/34/583587834.db2.gz GYOUVJMMDTYEMY-KGLIPLIRSA-N 1 0 223.360 2.485 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)CCC(F)(F)F ZINC000895096141 583587899 /nfs/dbraw/zinc/58/78/99/583587899.db2.gz MJZPISYNHIHUDA-UWVGGRQHSA-N 1 0 237.265 2.081 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cn(CC)nc2C)C1 ZINC000895100967 583588700 /nfs/dbraw/zinc/58/87/00/583588700.db2.gz GISXZJCHAGJBFF-AWEZNQCLSA-N 1 0 245.370 2.447 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C1CCC(C(F)F)CC1 ZINC000895100749 583588771 /nfs/dbraw/zinc/58/87/71/583588771.db2.gz WEQWDCFZAXBUGF-HTAVTVPLSA-N 1 0 245.313 2.174 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H](CO)CC#CC ZINC000895101053 583589108 /nfs/dbraw/zinc/58/91/08/583589108.db2.gz YYQXFTBAQVAMDF-ZIAGYGMSSA-N 1 0 223.360 2.485 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857857824 588914546 /nfs/dbraw/zinc/91/45/46/588914546.db2.gz IKHUBVXQAHNXSH-LBPRGKRZSA-N 1 0 217.316 2.180 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857864213 588915060 /nfs/dbraw/zinc/91/50/60/588915060.db2.gz FTQYALPVXPVDII-LLVKDONJSA-N 1 0 205.305 2.343 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+]C1CC2(C1)CCCC2 ZINC000895132569 583601135 /nfs/dbraw/zinc/60/11/35/583601135.db2.gz VIQAAJOCNXAOLR-LBPRGKRZSA-N 1 0 221.344 2.073 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158851 583608656 /nfs/dbraw/zinc/60/86/56/583608656.db2.gz PKDQVWFMESNBSR-VXGBXAGGSA-N 1 0 240.347 2.091 20 30 BEEDRO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160907 583609689 /nfs/dbraw/zinc/60/96/89/583609689.db2.gz PVOJPPSMLFRCSI-QJPTWQEYSA-N 1 0 242.363 2.171 20 30 BEEDRO CC(C)CCC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160958 583609783 /nfs/dbraw/zinc/60/97/83/583609783.db2.gz QBDWIASEVXUFGW-NEPJUHHUSA-N 1 0 242.363 2.171 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+][C@H]1CCCN(O)C1=O ZINC000895161901 583610644 /nfs/dbraw/zinc/61/06/44/583610644.db2.gz VKJKHMMMAKLYIT-RYUDHWBXSA-N 1 0 240.347 2.091 20 30 BEEDRO C#CC[N@@H+](C)[C@@H](C)Cc1ccc(C)cc1 ZINC000142401803 583611632 /nfs/dbraw/zinc/61/16/32/583611632.db2.gz IEYABQHBKREDKT-ZDUSSCGKSA-N 1 0 201.313 2.491 20 30 BEEDRO C#CC[N@@H+](C)[C@H](C)Cc1ccc(C)cc1 ZINC000142401986 583611753 /nfs/dbraw/zinc/61/17/53/583611753.db2.gz IEYABQHBKREDKT-CYBMUJFWSA-N 1 0 201.313 2.491 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccc(O)c(F)c2)C1 ZINC000895204949 583625128 /nfs/dbraw/zinc/62/51/28/583625128.db2.gz LSDDUSADOZUDKO-LLVKDONJSA-N 1 0 233.286 2.377 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC(C)=NO1 ZINC000895306900 583643875 /nfs/dbraw/zinc/64/38/75/583643875.db2.gz KXKHTYFLGUUFRD-ZMLRMANQSA-N 1 0 210.321 2.342 20 30 BEEDRO C=CCC[NH2+]Cc1ccc(C(=O)OC)c(C)c1 ZINC000895328791 583651788 /nfs/dbraw/zinc/65/17/88/583651788.db2.gz AXVRIMJTDNKENE-UHFFFAOYSA-N 1 0 233.311 2.447 20 30 BEEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000895340546 583654833 /nfs/dbraw/zinc/65/48/33/583654833.db2.gz WJOKQJGHWHMYRO-RBSFLKMASA-N 1 0 231.339 2.459 20 30 BEEDRO CCO[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000895347834 583655727 /nfs/dbraw/zinc/65/57/27/583655727.db2.gz RXYWHWZGJKQOKJ-SHTZXODSSA-N 1 0 229.323 2.195 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](C)CCCCC=C ZINC000895491158 583681061 /nfs/dbraw/zinc/68/10/61/583681061.db2.gz YMVBYJGDMITAKF-QWHCGFSZSA-N 1 0 209.333 2.095 20 30 BEEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](CF)C2)n1 ZINC000895544196 583689411 /nfs/dbraw/zinc/68/94/11/583689411.db2.gz JLCOBMWOCLMFBL-LLVKDONJSA-N 1 0 233.290 2.135 20 30 BEEDRO C#CCOc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000895573965 583693233 /nfs/dbraw/zinc/69/32/33/583693233.db2.gz TZOGCLJHNMOSSK-AWEZNQCLSA-N 1 0 247.313 2.490 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000895713536 583711282 /nfs/dbraw/zinc/71/12/82/583711282.db2.gz QGTMQAICIOFWAH-DTWKUNHWSA-N 1 0 238.158 2.097 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CC2(CCC2)C1 ZINC000895713310 583711283 /nfs/dbraw/zinc/71/12/83/583711283.db2.gz MZYDLFYMNBEMDO-LLVKDONJSA-N 1 0 209.333 2.236 20 30 BEEDRO C#CCC1(O)CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000895669605 583706072 /nfs/dbraw/zinc/70/60/72/583706072.db2.gz HMOIYEWBDPYYDR-AWEZNQCLSA-N 1 0 233.355 2.193 20 30 BEEDRO C#CCCCCCC[NH+]1CCC(O)(CC#C)CC1 ZINC000895670550 583706107 /nfs/dbraw/zinc/70/61/07/583706107.db2.gz USCOPVZDLMHTAL-UHFFFAOYSA-N 1 0 247.382 2.420 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CCc1ccc(C)c(C)c1 ZINC000895671280 583706431 /nfs/dbraw/zinc/70/64/31/583706431.db2.gz ICIVCIBWTYZMNU-MRXNPFEDSA-N 1 0 245.366 2.474 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CCN1CC ZINC000895672180 583706709 /nfs/dbraw/zinc/70/67/09/583706709.db2.gz QZSAPGCSZQPVDQ-CQSZACIVSA-N 1 0 222.376 2.254 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000895672195 583706759 /nfs/dbraw/zinc/70/67/59/583706759.db2.gz ORALTENLYWOSQN-STQMWFEESA-N 1 0 236.359 2.333 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000895671950 583707005 /nfs/dbraw/zinc/70/70/05/583707005.db2.gz NFIKSIIJLVMJKD-JHJVBQTASA-N 1 0 221.344 2.193 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000895712851 583710705 /nfs/dbraw/zinc/71/07/05/583710705.db2.gz DWHIAJFWTRRSIB-UONOGXRCSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C1CC(F)(F)C1 ZINC000895712588 583710872 /nfs/dbraw/zinc/71/08/72/583710872.db2.gz AHJNQMSKWLQKLU-GXSJLCMTSA-N 1 0 233.302 2.337 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](OC)C1CCCC1 ZINC000895712852 583710931 /nfs/dbraw/zinc/71/09/31/583710931.db2.gz DWHIAJFWTRRSIB-ZIAGYGMSSA-N 1 0 241.375 2.108 20 30 BEEDRO Cc1cc(F)c(C#N)c(NC[C@@H]2CC[N@H+]2C)c1 ZINC000895768115 583723492 /nfs/dbraw/zinc/72/34/92/583723492.db2.gz WNFMSBCTKGUXMW-JTQLQIEISA-N 1 0 233.290 2.122 20 30 BEEDRO C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(OC)OC ZINC000895792464 583728898 /nfs/dbraw/zinc/72/88/98/583728898.db2.gz DJFVZTUDYBJUSQ-AXFHLTTASA-N 1 0 215.337 2.184 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000895924485 583747267 /nfs/dbraw/zinc/74/72/67/583747267.db2.gz VRQRUZBNBDQIHD-STQMWFEESA-N 1 0 238.375 2.409 20 30 BEEDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](C)CCC#N)C1 ZINC000895926716 583748826 /nfs/dbraw/zinc/74/88/26/583748826.db2.gz JQWKASHJKFWNGO-FRRDWIJNSA-N 1 0 224.348 2.426 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]Cc2nnc(CC)s2)CC1 ZINC000895953566 583752112 /nfs/dbraw/zinc/75/21/12/583752112.db2.gz ORKPHTDZLUXHCI-XYPYZODXSA-N 1 0 249.383 2.382 20 30 BEEDRO C=CCOc1ccccc1C[NH+]1CC(COC)C1 ZINC000895972351 583756915 /nfs/dbraw/zinc/75/69/15/583756915.db2.gz XAKPZOCQXNMWBE-UHFFFAOYSA-N 1 0 247.338 2.330 20 30 BEEDRO C#CC1([NH2+]Cc2ccnc(OC)c2F)CCCC1 ZINC000896026547 583764799 /nfs/dbraw/zinc/76/47/99/583764799.db2.gz PNHIJJBQUITMKH-UHFFFAOYSA-N 1 0 248.301 2.265 20 30 BEEDRO C=C1CCC(C(=O)NCC[NH2+]C(C)(C)C)CC1 ZINC000896507587 583808595 /nfs/dbraw/zinc/80/85/95/583808595.db2.gz YDYXQVPLGMNMFO-UHFFFAOYSA-N 1 0 238.375 2.237 20 30 BEEDRO Cc1ccc(O[C@@H]2CC[N@H+](CCCC#N)C2)nc1 ZINC000858035035 588931046 /nfs/dbraw/zinc/93/10/46/588931046.db2.gz HFWIQBNZELRSHM-CYBMUJFWSA-N 1 0 245.326 2.147 20 30 BEEDRO N#CCCCC[NH2+]Cc1ccnc(F)c1 ZINC000858126195 588934685 /nfs/dbraw/zinc/93/46/85/588934685.db2.gz SWEDSFZOYVNECM-UHFFFAOYSA-N 1 0 207.252 2.004 20 30 BEEDRO C[C@H]1[C@H]([NH3+])CCN1c1ccc(C#N)c(Cl)c1 ZINC000148143725 583875287 /nfs/dbraw/zinc/87/52/87/583875287.db2.gz BMZIYUPXSKRJFE-QPUJVOFHSA-N 1 0 235.718 2.138 20 30 BEEDRO CC#CC[N@H+](C)CC1=Cc2ccccc2OC1 ZINC000897165760 583886486 /nfs/dbraw/zinc/88/64/86/583886486.db2.gz BOEVXSSCHPOCPS-UHFFFAOYSA-N 1 0 227.307 2.418 20 30 BEEDRO CC#CC[N@@H+](C)Cc1ccc(OCCOC)cc1 ZINC000897166043 583886714 /nfs/dbraw/zinc/88/67/14/583886714.db2.gz HSKDIQOHNIQVSW-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO CC#CC[N@@H+](C)C[C@H]1CCO[C@H](CC)C1 ZINC000897167978 583887505 /nfs/dbraw/zinc/88/75/05/583887505.db2.gz YWBUEEWMOSLQGM-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO CC#CC[N@H+](C)CCCc1ccc(C)nc1 ZINC000897167969 583887556 /nfs/dbraw/zinc/88/75/56/583887556.db2.gz YOPGSZLNZHTIOK-UHFFFAOYSA-N 1 0 216.328 2.278 20 30 BEEDRO COc1cccc(O)c1C[NH2+]CCCCC#N ZINC000728776667 583908591 /nfs/dbraw/zinc/90/85/91/583908591.db2.gz SBXRHTYWIDDFKR-UHFFFAOYSA-N 1 0 234.299 2.184 20 30 BEEDRO CCCCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000104152075 583914778 /nfs/dbraw/zinc/91/47/78/583914778.db2.gz IPBCTYHGWRTRQW-NSHDSACASA-N 1 0 211.353 2.223 20 30 BEEDRO CCCNC(=[NH2+])NCCc1ccc(C)cc1C ZINC000104176763 583914836 /nfs/dbraw/zinc/91/48/36/583914836.db2.gz WYVNAQFAUSBECC-UHFFFAOYSA-N 1 0 233.359 2.160 20 30 BEEDRO CC[C@@H](C[NH+](C)C)OC(=O)C(C#N)(CC)CC ZINC000870548143 583921918 /nfs/dbraw/zinc/92/19/18/583921918.db2.gz KCOICNGWUAXKEE-NSHDSACASA-N 1 0 240.347 2.200 20 30 BEEDRO C#CCC1([NH2+]C[C@](C)(CC)OC)CCC1 ZINC000897351268 583929532 /nfs/dbraw/zinc/92/95/32/583929532.db2.gz ZATOVMMUORADHO-LBPRGKRZSA-N 1 0 209.333 2.337 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000858297464 588942965 /nfs/dbraw/zinc/94/29/65/588942965.db2.gz DKIYCXOWKBCOLU-CVEARBPZSA-N 1 0 241.334 2.325 20 30 BEEDRO C#C[C@@H]1CCCCN1c1cc(N)[nH+]cc1Cl ZINC000897360370 583938455 /nfs/dbraw/zinc/93/84/55/583938455.db2.gz FEFNNYZBLYPINB-SECBINFHSA-N 1 0 235.718 2.309 20 30 BEEDRO CCN(C)Cc1cc(C#N)c(F)cc1F ZINC000669379691 583949063 /nfs/dbraw/zinc/94/90/63/583949063.db2.gz JIMAPQACDPQUKH-UHFFFAOYSA-N 1 0 210.227 2.288 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000862548357 583963801 /nfs/dbraw/zinc/96/38/01/583963801.db2.gz DJNNYOYUAKJRDW-UMSGYPCISA-N 1 0 209.333 2.049 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccc(F)cc1 ZINC000858332204 588945871 /nfs/dbraw/zinc/94/58/71/588945871.db2.gz QFDMHWIZNAPRPW-AWEZNQCLSA-N 1 0 235.302 2.344 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cccc(C#N)c1 ZINC000858333251 588946530 /nfs/dbraw/zinc/94/65/30/588946530.db2.gz AEZGNVAGFPSXRN-OAHLLOKOSA-N 1 0 242.322 2.076 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000858334901 588946555 /nfs/dbraw/zinc/94/65/55/588946555.db2.gz SVRMETIELKAGNH-PYJNHQTQSA-N 1 0 221.344 2.049 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc(C)ccc1O ZINC000858333448 588946612 /nfs/dbraw/zinc/94/66/12/588946612.db2.gz GWROGXSZJAWIBS-CQSZACIVSA-N 1 0 247.338 2.219 20 30 BEEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)cc1OC ZINC000858335055 588946988 /nfs/dbraw/zinc/94/69/88/588946988.db2.gz UXUCZKFAEMSNHR-CQSZACIVSA-N 1 0 247.338 2.132 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000897509193 583998713 /nfs/dbraw/zinc/99/87/13/583998713.db2.gz VNVFNHYREDXHTR-KWCYVHTRSA-N 1 0 236.359 2.473 20 30 BEEDRO C=C(Cl)CN1CCC[C@@H](n2ccnc2)C1 ZINC000729932350 584030283 /nfs/dbraw/zinc/03/02/83/584030283.db2.gz ZGUIBWMMCUWENV-LLVKDONJSA-N 1 0 225.723 2.273 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1 ZINC000897685292 584040234 /nfs/dbraw/zinc/04/02/34/584040234.db2.gz IGDJBTBBSRHGHO-SWLSCSKDSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CCOc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1 ZINC000897685291 584040667 /nfs/dbraw/zinc/04/06/67/584040667.db2.gz IGDJBTBBSRHGHO-IUODEOHRSA-N 1 0 247.338 2.064 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897818995 584051278 /nfs/dbraw/zinc/05/12/78/584051278.db2.gz VKYYHPCESWRSHM-PRFQISJJSA-N 1 0 221.344 2.497 20 30 BEEDRO C=CCCn1cc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)nn1 ZINC000897958212 584066491 /nfs/dbraw/zinc/06/64/91/584066491.db2.gz HYKFWFSWPPOUQZ-IACUBPJLSA-N 1 0 246.358 2.132 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cn(C)cn1 ZINC000898044790 584072930 /nfs/dbraw/zinc/07/29/30/584072930.db2.gz CHAJUKODSNQCII-MNOVXSKESA-N 1 0 207.321 2.110 20 30 BEEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000897991918 584072959 /nfs/dbraw/zinc/07/29/59/584072959.db2.gz VOULXKUNETYLGM-KOLCDFICSA-N 1 0 242.282 2.005 20 30 BEEDRO C=C[C@H](CC)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000898017793 584075236 /nfs/dbraw/zinc/07/52/36/584075236.db2.gz SVGOGOWJOXXDQT-GFCCVEGCSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CC[C@H]([NH2+]Cc2cn(C)nc2OC)C1 ZINC000898026102 584076952 /nfs/dbraw/zinc/07/69/52/584076952.db2.gz VSXUNNJCUHPBII-YPMHNXCESA-N 1 0 249.358 2.263 20 30 BEEDRO C=CC[C@@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1OC ZINC000898029648 584077651 /nfs/dbraw/zinc/07/76/51/584077651.db2.gz YUIQPTVZNIBIKZ-MNOVXSKESA-N 1 0 237.347 2.119 20 30 BEEDRO C#CCCCCCC[NH2+]Cc1cn(C)cn1 ZINC000898043026 584080256 /nfs/dbraw/zinc/08/02/56/584080256.db2.gz BNIMDNGAWXUYDG-UHFFFAOYSA-N 1 0 219.332 2.093 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@]23C[C@H]2COC32CCC2)C1 ZINC000898064500 584081144 /nfs/dbraw/zinc/08/11/44/584081144.db2.gz HGJAKPQQWUZDLK-XDQVBPFNSA-N 1 0 246.354 2.227 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC[C@@H](O)C1CC1 ZINC000898204345 584091129 /nfs/dbraw/zinc/09/11/29/584091129.db2.gz SIWUPYNSEPKHCQ-CHWSQXEVSA-N 1 0 211.349 2.482 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC[C@@H](O)C1CC1 ZINC000898199867 584098859 /nfs/dbraw/zinc/09/88/59/584098859.db2.gz SOMXHINNAYHLSW-ZYHUDNBSSA-N 1 0 224.348 2.065 20 30 BEEDRO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000898314331 584110944 /nfs/dbraw/zinc/11/09/44/584110944.db2.gz USTMJSLOLCKAIC-MCIONIFRSA-N 1 0 237.391 2.245 20 30 BEEDRO N#Cc1cc(C[NH2+][C@H]2COC[C@H]2C2CC2)cs1 ZINC000898376165 584114064 /nfs/dbraw/zinc/11/40/64/584114064.db2.gz KUQJSCLGIRZVBB-STQMWFEESA-N 1 0 248.351 2.134 20 30 BEEDRO C=CCCON=C(N)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000842049204 584118474 /nfs/dbraw/zinc/11/84/74/584118474.db2.gz PQCDCSSSUPOFMQ-TXEJJXNPSA-N 1 0 239.363 2.324 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CC=C(C(=O)OC)C1 ZINC000858472130 588958315 /nfs/dbraw/zinc/95/83/15/588958315.db2.gz GTFFACXTGGSHQN-CMPLNLGQSA-N 1 0 223.316 2.193 20 30 BEEDRO C#CCOC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000801425176 584126867 /nfs/dbraw/zinc/12/68/67/584126867.db2.gz AAAQOYWTTUQJFX-UHFFFAOYSA-N 1 0 245.322 2.318 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1Cc2ccccc2[C@H]1O ZINC000898388301 584131447 /nfs/dbraw/zinc/13/14/47/584131447.db2.gz YSVBKSBKMLHPEW-NILFDRSVSA-N 1 0 244.338 2.174 20 30 BEEDRO COc1ccc(C[NH2+]C/C=C\Cl)cc1C#N ZINC000898435782 584135635 /nfs/dbraw/zinc/13/56/35/584135635.db2.gz MRWGQKHTUNMQJE-DJWKRKHSSA-N 1 0 236.702 2.409 20 30 BEEDRO C=CC(C)(C)[NH2+]Cc1cccc(OC)n1 ZINC000898459980 584137343 /nfs/dbraw/zinc/13/73/43/584137343.db2.gz AJZZYQXWVAJXFM-UHFFFAOYSA-N 1 0 206.289 2.144 20 30 BEEDRO C#Cc1ccc(NCC2CC[NH+](C)CC2)cc1 ZINC000898497625 584140103 /nfs/dbraw/zinc/14/01/03/584140103.db2.gz AFLVYEQWIBOLQO-UHFFFAOYSA-N 1 0 228.339 2.422 20 30 BEEDRO C=C1CCC(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898595847 584144550 /nfs/dbraw/zinc/14/45/50/584144550.db2.gz HHLRERNWNKRLAW-UHFFFAOYSA-N 1 0 248.370 2.039 20 30 BEEDRO C=C[C@@H]1CCCCN1c1cc[nH+]c(CO)c1 ZINC000858518347 588962225 /nfs/dbraw/zinc/96/22/25/588962225.db2.gz PLTPTWYGBNPVQA-GFCCVEGCSA-N 1 0 218.300 2.119 20 30 BEEDRO C=CCC[NH2+]C[C@H](O)CC[C@@H](O)c1ccccc1 ZINC000899891854 584248858 /nfs/dbraw/zinc/24/88/58/584248858.db2.gz SYQAXUWOIQPNNM-HUUCEWRRSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899921447 584256405 /nfs/dbraw/zinc/25/64/05/584256405.db2.gz XBPZEYDURSLDPV-KBPBESRZSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCN(CC=C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899921450 584256629 /nfs/dbraw/zinc/25/66/29/584256629.db2.gz XBPZEYDURSLDPV-ZIAGYGMSSA-N 1 0 248.370 2.204 20 30 BEEDRO C=CCCCC[C@@H](C)[NH2+][C@H](C)C(=O)N(C)OC ZINC000858588481 588969662 /nfs/dbraw/zinc/96/96/62/588969662.db2.gz HEBAJPYMCRZKMY-VXGBXAGGSA-N 1 0 242.363 2.119 20 30 BEEDRO C=C[C@@H](CC)Cc1nc([C@H]2CCC[NH2+]2)no1 ZINC000900009729 584265280 /nfs/dbraw/zinc/26/52/80/584265280.db2.gz JHJVIPMYBUOVGG-VHSXEESVSA-N 1 0 221.304 2.249 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)CCC ZINC000900193593 584284914 /nfs/dbraw/zinc/28/49/14/584284914.db2.gz OAMGDJHBOQIJSQ-LBPRGKRZSA-N 1 0 226.364 2.141 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1cc[nH+]c(CO)c1 ZINC000858634137 588972362 /nfs/dbraw/zinc/97/23/62/588972362.db2.gz MLINXTPQFDSKPJ-BETUJISGSA-N 1 0 230.311 2.261 20 30 BEEDRO C#CCCCCCCn1cc([C@@H](C)[NH2+]C)nn1 ZINC000900642314 584332306 /nfs/dbraw/zinc/33/23/06/584332306.db2.gz GTTVFVBUHNYQTG-GFCCVEGCSA-N 1 0 234.347 2.142 20 30 BEEDRO C#CCCCCCCn1cc([C@@](C)([NH3+])CC)nn1 ZINC000900644046 584338176 /nfs/dbraw/zinc/33/81/76/584338176.db2.gz RJVGMSYLHMFREX-AWEZNQCLSA-N 1 0 248.374 2.446 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C1CCCC1 ZINC000900714383 584344388 /nfs/dbraw/zinc/34/43/88/584344388.db2.gz VPZXEXIASIVQPR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccsc1 ZINC000900743560 584348093 /nfs/dbraw/zinc/34/80/93/584348093.db2.gz ZVCKKQMACKTPAR-UHFFFAOYSA-N 1 0 224.329 2.195 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(CC)C[C@H](C)CC ZINC000900943499 584368731 /nfs/dbraw/zinc/36/87/31/584368731.db2.gz FJFYSMFHNATOBT-GFCCVEGCSA-N 1 0 240.391 2.389 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000901017905 584377545 /nfs/dbraw/zinc/37/75/45/584377545.db2.gz BPXYWAVEKWDTFD-STQMWFEESA-N 1 0 238.375 2.189 20 30 BEEDRO Cc1nc(C=NNc2cc[nH+]c(C)c2)sc1C ZINC000901268183 584418184 /nfs/dbraw/zinc/41/81/84/584418184.db2.gz XLYOLIRZERXPJK-UHFFFAOYSA-N 1 0 246.339 2.331 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CC[C@@H]1CC ZINC000901303216 584419376 /nfs/dbraw/zinc/41/93/76/584419376.db2.gz MZUJCPHSJQVWCJ-OLZOCXBDSA-N 1 0 238.375 2.284 20 30 BEEDRO C[C@H]1CC[C@H](C=Nn2nnc3c2CCCC3)C1 ZINC000901331439 584424895 /nfs/dbraw/zinc/42/48/95/584424895.db2.gz NZDHVDWIJAROJW-QWRGUYRKSA-N 1 0 232.331 2.427 20 30 BEEDRO CC1(C)CCC[C@H](C[NH2+]C[C@H](C#N)CCC#N)O1 ZINC000901682486 584480583 /nfs/dbraw/zinc/48/05/83/584480583.db2.gz DSRGPKSJCIYYIS-QWHCGFSZSA-N 1 0 249.358 2.367 20 30 BEEDRO N#Cc1cccc(CNc2[nH+]ccn2C2CC2)n1 ZINC000902114082 584527237 /nfs/dbraw/zinc/52/72/37/584527237.db2.gz KZIXILSENQRLPR-UHFFFAOYSA-N 1 0 239.282 2.097 20 30 BEEDRO C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccc(C#N)cc1 ZINC000902450819 584606781 /nfs/dbraw/zinc/60/67/81/584606781.db2.gz UMMJZCFMDCTYGV-RISCZKNCSA-N 1 0 243.354 2.207 20 30 BEEDRO CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902802143 584670658 /nfs/dbraw/zinc/67/06/58/584670658.db2.gz IQOGFYVFMYPQGG-SMDDNHRTSA-N 1 0 247.342 2.011 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902802469 584670668 /nfs/dbraw/zinc/67/06/68/584670668.db2.gz OHLGPHVLVXOZIY-COPLHBTASA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cc(C#N)ccn1 ZINC000902802894 584671229 /nfs/dbraw/zinc/67/12/29/584671229.db2.gz QTZMOTMQEHYJEO-RISCZKNCSA-N 1 0 245.326 2.030 20 30 BEEDRO N#CCN1CCC([NH2+][C@@H]2C[C@H]3CCC[C@H]3C2)CC1 ZINC000902796454 584674678 /nfs/dbraw/zinc/67/46/78/584674678.db2.gz QANUHSKUSIPSCW-AGGWBTHJSA-N 1 0 247.386 2.143 20 30 BEEDRO CC(C)[C@H](CCO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902822421 584676153 /nfs/dbraw/zinc/67/61/53/584676153.db2.gz WYZWSCJIDJKSPX-YPMHNXCESA-N 1 0 247.342 2.011 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902812380 584677728 /nfs/dbraw/zinc/67/77/28/584677728.db2.gz SEZXYZYANDAEDG-PWSUYJOCSA-N 1 0 233.315 2.029 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902812379 584677858 /nfs/dbraw/zinc/67/78/58/584677858.db2.gz SEZXYZYANDAEDG-JQWIXIFHSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cc(C#N)ccn1 ZINC000902813753 584678362 /nfs/dbraw/zinc/67/83/62/584678362.db2.gz GRYRCNVSXPDFGW-SDDRHHMPSA-N 1 0 247.342 2.011 20 30 BEEDRO C[C@@H]([NH2+]C1CC=CC1)c1cc(C#N)ccn1 ZINC000902842018 584680212 /nfs/dbraw/zinc/68/02/12/584680212.db2.gz ULUINQWOSPGHTE-SNVBAGLBSA-N 1 0 213.284 2.322 20 30 BEEDRO C=CC[C@H](C)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902868020 584683292 /nfs/dbraw/zinc/68/32/92/584683292.db2.gz IMAUKZHEHPUMMD-SNIKSBKOSA-N 1 0 221.344 2.354 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc(C#N)ccn1 ZINC000902872421 584684026 /nfs/dbraw/zinc/68/40/26/584684026.db2.gz GVPPZBAQRXOMFH-MWLCHTKSSA-N 1 0 233.340 2.109 20 30 BEEDRO C[C@H](C#N)OCC[NH2+]C1(c2ccccc2)CC1 ZINC000801937640 584684082 /nfs/dbraw/zinc/68/40/82/584684082.db2.gz RJBMDBKYMOVLSD-GFCCVEGCSA-N 1 0 230.311 2.194 20 30 BEEDRO C[C@@H]([NH2+]C1CCC1)c1cc(C#N)ccn1 ZINC000902860592 584685747 /nfs/dbraw/zinc/68/57/47/584685747.db2.gz VKQKBSZKTGQIFQ-SECBINFHSA-N 1 0 201.273 2.156 20 30 BEEDRO C#CCCCC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902879170 584687828 /nfs/dbraw/zinc/68/78/28/584687828.db2.gz RUCBRJKPMFOYTA-GFCCVEGCSA-N 1 0 227.311 2.407 20 30 BEEDRO COC[C@H]([NH2+][C@@H](C)c1cc(C#N)ccn1)C1CC1 ZINC000902886889 584689177 /nfs/dbraw/zinc/68/91/77/584689177.db2.gz VSBDPRWHJRVQQN-HZMBPMFUSA-N 1 0 245.326 2.029 20 30 BEEDRO CC[C@H]([NH2+]CCCCO)c1cccc(C#N)c1 ZINC000902975893 584707502 /nfs/dbraw/zinc/70/75/02/584707502.db2.gz KGZCJGCHEBMPNA-AWEZNQCLSA-N 1 0 232.327 2.371 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C)ccc1OC ZINC000746456857 584708833 /nfs/dbraw/zinc/70/88/33/584708833.db2.gz ODHGCICCPMUDBS-UHFFFAOYSA-N 1 0 217.312 2.459 20 30 BEEDRO C#CC[N@H+](CC)CCCOc1ccc(OC)cc1 ZINC000746457463 584712466 /nfs/dbraw/zinc/71/24/66/584712466.db2.gz DMTWKVJCKLIMIK-UHFFFAOYSA-N 1 0 247.338 2.419 20 30 BEEDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cc(C#N)ccn1 ZINC000902973386 584712999 /nfs/dbraw/zinc/71/29/99/584712999.db2.gz RUJCSQVMTRKEOB-QMMMGPOBSA-N 1 0 237.253 2.402 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(C#N)ccn2)C1 ZINC000903016373 584713255 /nfs/dbraw/zinc/71/32/55/584713255.db2.gz JNMIBZGFTKWWDC-RTXFEEFZSA-N 1 0 245.326 2.171 20 30 BEEDRO CC[C@H](C[NH2+][C@H](C)c1cc(C#N)ccn1)OC ZINC000902997340 584714121 /nfs/dbraw/zinc/71/41/21/584714121.db2.gz SVIXOSFXPNBCSD-ZYHUDNBSSA-N 1 0 233.315 2.029 20 30 BEEDRO C[C@@H](F)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903001239 584715296 /nfs/dbraw/zinc/71/52/96/584715296.db2.gz RHKHJHPWKICYLI-ZJUUUORDSA-N 1 0 221.279 2.352 20 30 BEEDRO C[C@@H](CCO)CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000903003466 584716872 /nfs/dbraw/zinc/71/68/72/584716872.db2.gz UYBJVEVNECSCLZ-VXGBXAGGSA-N 1 0 247.342 2.012 20 30 BEEDRO C[C@@H](CCO)CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000903003463 584717022 /nfs/dbraw/zinc/71/70/22/584717022.db2.gz UYBJVEVNECSCLZ-NEPJUHHUSA-N 1 0 247.342 2.012 20 30 BEEDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cc(C#N)ccn1)OC ZINC000903008065 584717378 /nfs/dbraw/zinc/71/73/78/584717378.db2.gz LIODERPJUFKISE-FZMZJTMJSA-N 1 0 247.342 2.419 20 30 BEEDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cc(C#N)ccn1 ZINC000903020068 584718059 /nfs/dbraw/zinc/71/80/59/584718059.db2.gz VFMVGSXSBNQWEE-FOGDFJRCSA-N 1 0 247.367 2.498 20 30 BEEDRO C[C@@H]([NH2+]CC1(C#N)CCC1)[C@]1(C)CCCO1 ZINC000903033271 584718559 /nfs/dbraw/zinc/71/85/59/584718559.db2.gz RPUILOJNKCXSHH-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO COC[C@H]([NH2+]CC1(C#N)CCC1)C1CCCC1 ZINC000903033321 584718624 /nfs/dbraw/zinc/71/86/24/584718624.db2.gz SRXAMTHLPNBDDN-ZDUSSCGKSA-N 1 0 236.359 2.475 20 30 BEEDRO N#CC1(C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CCC1 ZINC000903034893 584718864 /nfs/dbraw/zinc/71/88/64/584718864.db2.gz DTCIHNXOTCVQBB-QSLWVIQJSA-N 1 0 246.354 2.083 20 30 BEEDRO C[N@@H+]1CC[C@H](NCC2(C#N)CCC2)[C@H]2CCC[C@@H]21 ZINC000903035671 584719685 /nfs/dbraw/zinc/71/96/85/584719685.db2.gz SHJLDOUYLTWMIZ-RDBSUJKOSA-N 1 0 247.386 2.143 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cc(C#N)ccn1 ZINC000903037622 584720050 /nfs/dbraw/zinc/72/00/50/584720050.db2.gz NCTAUFNAWBGUQK-JBLDHEPKSA-N 1 0 247.367 2.498 20 30 BEEDRO CC[C@H]([NH2+]CCN(C)OC)c1cccc(C#N)c1 ZINC000903043532 584720835 /nfs/dbraw/zinc/72/08/35/584720835.db2.gz BYYHDFRXDHPZQH-AWEZNQCLSA-N 1 0 247.342 2.092 20 30 BEEDRO C[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cc(C#N)ccn1 ZINC000903046327 584723785 /nfs/dbraw/zinc/72/37/85/584723785.db2.gz ZVLQYJBQZDQCCR-CMPLNLGQSA-N 1 0 245.326 2.171 20 30 BEEDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@H]1C)c1cc(C#N)ccn1 ZINC000903078012 584724585 /nfs/dbraw/zinc/72/45/85/584724585.db2.gz 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249.358 2.366 20 30 BEEDRO C=CCC(C)(C)c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904121678 584842350 /nfs/dbraw/zinc/84/23/50/584842350.db2.gz SWEHODUQPRQGLB-OUAUKWLOSA-N 1 0 247.342 2.246 20 30 BEEDRO CC(C)(C)CC[C@@H]([NH3+])CN1CCC[C@@H](C#N)C1 ZINC000904388143 584877695 /nfs/dbraw/zinc/87/76/95/584877695.db2.gz DYCLYHLQOIMRAF-QWHCGFSZSA-N 1 0 237.391 2.376 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)C1CCOCC1 ZINC000827559497 584899434 /nfs/dbraw/zinc/89/94/34/584899434.db2.gz GHEGFLVRADYSAB-SOUVJXGZSA-N 1 0 233.355 2.193 20 30 BEEDRO C#C[C@H]([NH2+]CCCC(C)C)C1CCOCC1 ZINC000827559856 584899453 /nfs/dbraw/zinc/89/94/53/584899453.db2.gz KDWQHPLZWLWPOW-AWEZNQCLSA-N 1 0 223.360 2.441 20 30 BEEDRO C#C[C@H]([NH2+]C1CC(C(F)F)C1)C1CCOCC1 ZINC000827559855 584899671 /nfs/dbraw/zinc/89/96/71/584899671.db2.gz JZSJNZBRYNDCMM-MCIGGMRASA-N 1 0 243.297 2.048 20 30 BEEDRO C=CCNN=C[C@](C)(C[NH+](C)C)c1ccccc1 ZINC000834977923 584916468 /nfs/dbraw/zinc/91/64/68/584916468.db2.gz SFQSLHSJJIFKBD-OAHLLOKOSA-N 1 0 245.370 2.267 20 30 BEEDRO C=CCO[NH+]=Cc1ccc(N(C)C(C)C)nc1 ZINC000835013765 584918440 /nfs/dbraw/zinc/91/84/40/584918440.db2.gz XAIYBRDWQHNNNA-UHFFFAOYSA-N 1 0 233.315 2.463 20 30 BEEDRO C=CCON=C1CCN(Cc2ccccn2)CC1 ZINC000835014861 584918622 /nfs/dbraw/zinc/91/86/22/584918622.db2.gz AZMCDKJABXFZCC-UHFFFAOYSA-N 1 0 245.326 2.236 20 30 BEEDRO CC(C)(C)NC(=[NH2+])NCC1(C2CC2)CCC1 ZINC000130663299 584944135 /nfs/dbraw/zinc/94/41/35/584944135.db2.gz BGZVLHOZQINWQS-UHFFFAOYSA-N 1 0 223.364 2.270 20 30 BEEDRO C=CC(C)(C)CC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000884302841 584949656 /nfs/dbraw/zinc/94/96/56/584949656.db2.gz ZYCFFKHHWAYMMA-LLVKDONJSA-N 1 0 238.375 2.093 20 30 BEEDRO C=CC[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC000735067633 584971986 /nfs/dbraw/zinc/97/19/86/584971986.db2.gz MOULTHAKCQJLJW-CYBMUJFWSA-N 1 0 238.375 2.333 20 30 BEEDRO C=CCCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000735490833 584977967 /nfs/dbraw/zinc/97/79/67/584977967.db2.gz RXZZMAMCCLCHDO-LBPRGKRZSA-N 1 0 225.332 2.180 20 30 BEEDRO C=CC(C)(C)C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819345521 585002174 /nfs/dbraw/zinc/00/21/74/585002174.db2.gz HVVFJEBYDNXEEH-LBPRGKRZSA-N 1 0 238.306 2.056 20 30 BEEDRO C=CCCCC[NH2+]Cc1[nH]nc(C)c1C ZINC000886068372 585036982 /nfs/dbraw/zinc/03/69/82/585036982.db2.gz WVMVCDGZMBJRHU-UHFFFAOYSA-N 1 0 207.321 2.472 20 30 BEEDRO C=CCCOC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000838465054 585059015 /nfs/dbraw/zinc/05/90/15/585059015.db2.gz YLWPDKSUJQGNED-UHFFFAOYSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CCCC(=O)O[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000788117458 585073519 /nfs/dbraw/zinc/07/35/19/585073519.db2.gz LLTHUOYEUYRNMK-RYUDHWBXSA-N 1 0 223.316 2.123 20 30 BEEDRO C#CC[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1 ZINC000838913073 585078025 /nfs/dbraw/zinc/07/80/25/585078025.db2.gz NUEWBTCYXMWWPW-CQSZACIVSA-N 1 0 229.323 2.256 20 30 BEEDRO C#Cc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1 ZINC000839140154 585094591 /nfs/dbraw/zinc/09/45/91/585094591.db2.gz ANWKMQZZRLIBTB-UHFFFAOYSA-N 1 0 241.334 2.280 20 30 BEEDRO C[C@@H](C(=O)OCCCC#N)[NH+]1[C@H](C)CC[C@H]1C ZINC000741015452 585108947 /nfs/dbraw/zinc/10/89/47/585108947.db2.gz BKDSIYWICQJKJL-UTUOFQBUSA-N 1 0 238.331 2.095 20 30 BEEDRO C=CCCOC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC000741014817 585108951 /nfs/dbraw/zinc/10/89/51/585108951.db2.gz ZYBAQXVMRPFPLP-GFCCVEGCSA-N 1 0 225.332 2.226 20 30 BEEDRO C=C(C)COC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000741018477 585108969 /nfs/dbraw/zinc/10/89/69/585108969.db2.gz GEXDYEZQHIAEFX-UTUOFQBUSA-N 1 0 225.332 2.367 20 30 BEEDRO C[C@@H]1C[C@@H](/N=C\c2ccccc2O)CC[N@@H+]1C ZINC000741464290 585114397 /nfs/dbraw/zinc/11/43/97/585114397.db2.gz NMTGZTFFERXBEF-UQZAJDFTSA-N 1 0 232.327 2.294 20 30 BEEDRO CCCCCCC[N@H+](CC)CC(=O)NC ZINC000741788053 585118940 /nfs/dbraw/zinc/11/89/40/585118940.db2.gz XCULLJXQEULPJA-UHFFFAOYSA-N 1 0 214.353 2.025 20 30 BEEDRO CCCCCCCC[N@H+](CC)CC(=O)NC ZINC000741787039 585119089 /nfs/dbraw/zinc/11/90/89/585119089.db2.gz LRBQMVYNIGTKJN-UHFFFAOYSA-N 1 0 228.380 2.415 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(OCC)cc1O ZINC000742385169 585125351 /nfs/dbraw/zinc/12/53/51/585125351.db2.gz ZAHNMLPZAHDYIL-UHFFFAOYSA-N 1 0 233.311 2.294 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cc(C)ccn2)C1 ZINC000886363945 585134467 /nfs/dbraw/zinc/13/44/67/585134467.db2.gz JSNVIERCTNLXSP-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCC(C)(C)OC)C1 ZINC000886363946 585134646 /nfs/dbraw/zinc/13/46/46/585134646.db2.gz JUQBWEKUBBHFLK-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](OCC)C2CC2)C1 ZINC000886366026 585134910 /nfs/dbraw/zinc/13/49/10/585134910.db2.gz VLETVTHSBLTVLT-OCCSQVGLSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[N@H+](CC#CC)CCc1ccc(C)cc1 ZINC000744410695 585149782 /nfs/dbraw/zinc/14/97/82/585149782.db2.gz SYLPLKXPEAEAJS-UHFFFAOYSA-N 1 0 225.335 2.496 20 30 BEEDRO C#CC[N@H+](CC#CC)CCc1ccc(OC)cc1 ZINC000744409731 585150111 /nfs/dbraw/zinc/15/01/11/585150111.db2.gz FVWVZRLMSZTTTA-UHFFFAOYSA-N 1 0 241.334 2.196 20 30 BEEDRO C#CC[N@H+](CC)CCOc1cccc(C)c1 ZINC000746457618 585168065 /nfs/dbraw/zinc/16/80/65/585168065.db2.gz MYIHKWSOOQYWIS-UHFFFAOYSA-N 1 0 217.312 2.329 20 30 BEEDRO C#CC[N@H+](CC)CCOc1cccc(F)c1 ZINC000746457828 585168558 /nfs/dbraw/zinc/16/85/58/585168558.db2.gz RHJAYUYOOGQJQQ-UHFFFAOYSA-N 1 0 221.275 2.160 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1=NOCc1cccnc1 ZINC000746585853 585170241 /nfs/dbraw/zinc/17/02/41/585170241.db2.gz MRLATGALPDUGSQ-LLVKDONJSA-N 1 0 245.326 2.068 20 30 BEEDRO CCCCCCCC[N@@H+]1CCn2cnnc2C1 ZINC000746666085 585171721 /nfs/dbraw/zinc/17/17/21/585171721.db2.gz MCKKLICFOQRXMP-UHFFFAOYSA-N 1 0 236.363 2.454 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](CCC=C)C2CC2)C1 ZINC000886661591 585172585 /nfs/dbraw/zinc/17/25/85/585172585.db2.gz YHDAXOUPBZDXJN-HZPDHXFCSA-N 1 0 246.398 2.418 20 30 BEEDRO C#CC[N@H+]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000747966490 585186313 /nfs/dbraw/zinc/18/63/13/585186313.db2.gz ABTGJAFOOJQHNA-HNNXBMFYSA-N 1 0 242.366 2.447 20 30 BEEDRO CC[N@@H+](CCC#N)CCCCCCCO ZINC000747963269 585186452 /nfs/dbraw/zinc/18/64/52/585186452.db2.gz URYUXIXOYYXYFE-UHFFFAOYSA-N 1 0 212.337 2.165 20 30 BEEDRO N#Cc1csc(C[NH2+]C[C@H](O)c2ccco2)c1 ZINC000748100325 585186973 /nfs/dbraw/zinc/18/69/73/585186973.db2.gz KARYTKHVVHBINY-NSHDSACASA-N 1 0 248.307 2.036 20 30 BEEDRO CCO[C@@H]1CC(=[NH+]n2cnnc2)C1(CC)CC ZINC000748246415 585189701 /nfs/dbraw/zinc/18/97/01/585189701.db2.gz NXVCPIJXYIXWID-LLVKDONJSA-N 1 0 236.319 2.097 20 30 BEEDRO C=CCCCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000748322290 585190707 /nfs/dbraw/zinc/19/07/07/585190707.db2.gz PCAZCXUXJSZRKG-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO CC[N@@H+]1CCC(=NOCC(C)C)[C@@H](C)C1 ZINC000749631662 585204812 /nfs/dbraw/zinc/20/48/12/585204812.db2.gz NUENFOIAFJELMF-NSHDSACASA-N 1 0 212.337 2.377 20 30 BEEDRO COc1ccc(N=NC2C[C@@H](C)[N@H+](C)C2)cc1 ZINC000750922388 585222086 /nfs/dbraw/zinc/22/20/86/585222086.db2.gz OQZDGMWHDGNXIL-SNVBAGLBSA-N 1 0 233.315 2.187 20 30 BEEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cc(F)cc(F)c1 ZINC000752163981 585243164 /nfs/dbraw/zinc/24/31/64/585243164.db2.gz HVPAPCSMAMGRPS-MRVPVSSYSA-N 1 0 239.269 2.314 20 30 BEEDRO COc1cccc(N=NC2C[N@H+](C)C[C@H]2C)c1 ZINC000752163505 585243229 /nfs/dbraw/zinc/24/32/29/585243229.db2.gz ZGTXQDQDJCIYDD-SNVBAGLBSA-N 1 0 233.315 2.045 20 30 BEEDRO C#CC[NH+](CC#C)CCCc1ccccc1C ZINC000753386474 585258026 /nfs/dbraw/zinc/25/80/26/585258026.db2.gz AWBCADBOAUYIEQ-UHFFFAOYSA-N 1 0 225.335 2.496 20 30 BEEDRO C=CC[N@H+](CCOC)CCC(=O)C(C)(C)C ZINC000753773190 585268828 /nfs/dbraw/zinc/26/88/28/585268828.db2.gz SDVQTUNWZANPQG-UHFFFAOYSA-N 1 0 227.348 2.126 20 30 BEEDRO C[C@H]1CC(N=Nc2ccccn2)C[N@@H+]1C1CC1 ZINC000753954704 585273239 /nfs/dbraw/zinc/27/32/39/585273239.db2.gz FXPZDLLYEKEHIJ-JTQLQIEISA-N 1 0 230.315 2.106 20 30 BEEDRO C#CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000753968993 585273950 /nfs/dbraw/zinc/27/39/50/585273950.db2.gz QPNLZJDMCZXZMO-UHFFFAOYSA-N 1 0 242.322 2.244 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000754239368 585281022 /nfs/dbraw/zinc/28/10/22/585281022.db2.gz ZCDXKEJOMNKZJF-QWHCGFSZSA-N 1 0 223.360 2.129 20 30 BEEDRO CCC(CC)N[NH+]=Cc1cnc(N(C)C)s1 ZINC000755730780 585304955 /nfs/dbraw/zinc/30/49/55/585304955.db2.gz NDOBHIWYKNHJRE-UHFFFAOYSA-N 1 0 240.376 2.321 20 30 BEEDRO Cc1ccc(F)c(NN=Cc2c[nH]cn2)c1 ZINC000755773314 585306860 /nfs/dbraw/zinc/30/68/60/585306860.db2.gz UZDYBSUEDLAWTO-UHFFFAOYSA-N 1 0 218.235 2.303 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1(C)CCCC1 ZINC000756552858 585320853 /nfs/dbraw/zinc/32/08/53/585320853.db2.gz LMMPBGYTNPOTCZ-CYBMUJFWSA-N 1 0 249.354 2.208 20 30 BEEDRO C=CCC[C@H](C)[NH2+]CCCNc1ncccn1 ZINC000756643356 585321862 /nfs/dbraw/zinc/32/18/62/585321862.db2.gz ULGWRGGOMSIRHR-LBPRGKRZSA-N 1 0 234.347 2.223 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@]1(C)CCCO ZINC000839537912 585330073 /nfs/dbraw/zinc/33/00/73/585330073.db2.gz XRFCGVAKKSIRSS-NSHDSACASA-N 1 0 217.740 2.366 20 30 BEEDRO C#CC[N@H+](Cc1ccccc1)[C@@H](CO)C(=C)C ZINC000839601921 585331471 /nfs/dbraw/zinc/33/14/71/585331471.db2.gz OPKSPGKYQCWKTH-HNNXBMFYSA-N 1 0 229.323 2.059 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000839655828 585333791 /nfs/dbraw/zinc/33/37/91/585333791.db2.gz IYHVRZZOFPZUFF-SECBINFHSA-N 1 0 248.164 2.442 20 30 BEEDRO CC[N@H+](CCO[C@@H](C)C#N)C1CC(C)(C)C1 ZINC000839663408 585334416 /nfs/dbraw/zinc/33/44/16/585334416.db2.gz FSUURTNZYZRTFV-NSHDSACASA-N 1 0 224.348 2.426 20 30 BEEDRO C#CCCC[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000839638648 585334862 /nfs/dbraw/zinc/33/48/62/585334862.db2.gz JHTJEBRSQZDUGL-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO CCOc1ccc(C[NH2+]C[C@@H](C)C#N)c(O)c1 ZINC000757906082 585346651 /nfs/dbraw/zinc/34/66/51/585346651.db2.gz IESNPATUKZUXGU-JTQLQIEISA-N 1 0 234.299 2.040 20 30 BEEDRO C[N@@H+]1CCCC(N=Nc2ccc(C#N)cc2)CC1 ZINC000758106144 585349260 /nfs/dbraw/zinc/34/92/60/585349260.db2.gz FFYDLUYRTQJGMD-UHFFFAOYSA-N 1 0 242.326 2.442 20 30 BEEDRO C[N@@H+]1CCCC(=NNCc2cccc(F)c2)CC1 ZINC000758106369 585349332 /nfs/dbraw/zinc/34/93/32/585349332.db2.gz IIVBMHILUSUVQZ-UHFFFAOYSA-N 1 0 249.333 2.387 20 30 BEEDRO C#CCCCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000758636463 585357819 /nfs/dbraw/zinc/35/78/19/585357819.db2.gz JZKJDQYQGCPPHB-ZDUSSCGKSA-N 1 0 238.375 2.027 20 30 BEEDRO Fc1ccc(C2CC(=[NH+]n3cnnc3)C2)cc1 ZINC000759178678 585364841 /nfs/dbraw/zinc/36/48/41/585364841.db2.gz AZQCVAJVTZCEMP-UHFFFAOYSA-N 1 0 230.246 2.199 20 30 BEEDRO CCCCCCC[NH+]1CCC(O)(COC)CC1 ZINC000759316333 585366940 /nfs/dbraw/zinc/36/69/40/585366940.db2.gz XGPYSRLSIIHKIV-UHFFFAOYSA-N 1 0 243.391 2.430 20 30 BEEDRO C#CCCCC(=O)OCCCCC[NH+](C)C ZINC000759548549 585375449 /nfs/dbraw/zinc/37/54/49/585375449.db2.gz FZQICRZIQHEGQQ-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C=CC[N@@H+](CCNC(=O)OC(C)(C)C)C(C)C ZINC000759783939 585380165 /nfs/dbraw/zinc/38/01/65/585380165.db2.gz MTNZLAFSSOSXGS-UHFFFAOYSA-N 1 0 242.363 2.408 20 30 BEEDRO C=CC[N@H+](CC)CCNC(=O)OC(C)(C)C ZINC000759788358 585380353 /nfs/dbraw/zinc/38/03/53/585380353.db2.gz YFCQOEVXKSVLSE-UHFFFAOYSA-N 1 0 228.336 2.019 20 30 BEEDRO C#CCCCC(=O)NCCCC[NH+](CC)CC ZINC000760330571 585390246 /nfs/dbraw/zinc/39/02/46/585390246.db2.gz BZKMXJORTZAGNX-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO C#CCC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000760815435 585397979 /nfs/dbraw/zinc/39/79/79/585397979.db2.gz AWEGPCDNUYSBAH-GJZGRUSLSA-N 1 0 240.350 2.078 20 30 BEEDRO C#CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000760846062 585398941 /nfs/dbraw/zinc/39/89/41/585398941.db2.gz ZLBRNGBULMBNLC-JTQLQIEISA-N 1 0 235.249 2.053 20 30 BEEDRO C#CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000760843515 585399048 /nfs/dbraw/zinc/39/90/48/585399048.db2.gz LATXZTZNYCNNII-INIZCTEOSA-N 1 0 243.350 2.343 20 30 BEEDRO Fc1ccc(C#CC[N@@H+]2CC[C@@H]3C[C@@H]32)cc1 ZINC000761090553 585407920 /nfs/dbraw/zinc/40/79/20/585407920.db2.gz HTTXQDGETURMTK-OCCSQVGLSA-N 1 0 215.271 2.271 20 30 BEEDRO C[C@H]1CC(N=Nc2c(F)cccc2F)C[N@@H+]1C ZINC000761812757 585418736 /nfs/dbraw/zinc/41/87/36/585418736.db2.gz OLVHSENCNMOBJQ-QMMMGPOBSA-N 1 0 239.269 2.457 20 30 BEEDRO COc1cccc(N=NC2C[C@@H](C)[N@H+](C)C2)c1 ZINC000761804523 585419066 /nfs/dbraw/zinc/41/90/66/585419066.db2.gz POHRXQRSEFDMDM-SNVBAGLBSA-N 1 0 233.315 2.187 20 30 BEEDRO C[C@@H]1CC(N=Nc2cc(F)cc(F)c2)C[N@@H+]1C ZINC000761810816 585419174 /nfs/dbraw/zinc/41/91/74/585419174.db2.gz DCPOPXGDXIVLGQ-MRVPVSSYSA-N 1 0 239.269 2.457 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2ccccn12)C(C)(C)C ZINC000809781515 585432028 /nfs/dbraw/zinc/43/20/28/585432028.db2.gz UGUDNQFLHUJAOW-ZDUSSCGKSA-N 1 0 241.338 2.472 20 30 BEEDRO COCC#CC[N@@H+]1CCc2c(C)cccc2C1 ZINC000762918895 585439417 /nfs/dbraw/zinc/43/94/17/585439417.db2.gz QHYYCISCMHMSQS-UHFFFAOYSA-N 1 0 229.323 2.003 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000763921517 585456747 /nfs/dbraw/zinc/45/67/47/585456747.db2.gz UUDMLWNWTDDOMR-RAIGVLPGSA-N 1 0 238.375 2.045 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000763924430 585457227 /nfs/dbraw/zinc/45/72/27/585457227.db2.gz VBNJAQBSAJWABJ-UHFFFAOYSA-N 1 0 244.338 2.232 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)ccc1F ZINC000763990997 585458443 /nfs/dbraw/zinc/45/84/43/585458443.db2.gz CYMBAJOIWZCKFR-UHFFFAOYSA-N 1 0 236.290 2.190 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000763997933 585458515 /nfs/dbraw/zinc/45/85/15/585458515.db2.gz RFAGDWSOUZZCHI-CYBMUJFWSA-N 1 0 246.354 2.324 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(CC)Cc1ccccc1 ZINC000764072356 585459274 /nfs/dbraw/zinc/45/92/74/585459274.db2.gz WZBWNGNAJRVKKF-UHFFFAOYSA-N 1 0 246.354 2.153 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)C1CCCCCC1 ZINC000764101590 585459789 /nfs/dbraw/zinc/45/97/89/585459789.db2.gz ZQYKSRDJNBQKDA-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)C1CCC(C)CC1 ZINC000764129812 585460702 /nfs/dbraw/zinc/46/07/02/585460702.db2.gz RPWYHOOOMVSATL-UHFFFAOYSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N1CCc2cccc(C)c21 ZINC000764608414 585468987 /nfs/dbraw/zinc/46/89/87/585468987.db2.gz XHJMOBTYQIZNJZ-UHFFFAOYSA-N 1 0 244.338 2.002 20 30 BEEDRO Cc1cccc(CNN=C2CN(C)C[C@H]2C)c1 ZINC000764715568 585471796 /nfs/dbraw/zinc/47/17/96/585471796.db2.gz MLTHVPPTOVCITK-GFCCVEGCSA-N 1 0 231.343 2.022 20 30 BEEDRO C[C@H]1CC(=NOCC(F)(F)F)CC[N@@H+]1C ZINC000764835168 585475321 /nfs/dbraw/zinc/47/53/21/585475321.db2.gz IYQRUHYEYDRUJK-ZETCQYMHSA-N 1 0 224.226 2.035 20 30 BEEDRO CC#CCCOC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000765478667 585487429 /nfs/dbraw/zinc/48/74/29/585487429.db2.gz FTIVWGJBECYIFC-UPJWGTAASA-N 1 0 237.343 2.204 20 30 BEEDRO CC#CCCOC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC000765480928 585487855 /nfs/dbraw/zinc/48/78/55/585487855.db2.gz LTLGJGKLEMMKBY-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO COc1cccc(N=NC2CC[N@@H+]3CCC[C@@H]23)c1 ZINC000765565101 585489947 /nfs/dbraw/zinc/48/99/47/585489947.db2.gz QPMMAKKDLGWFPV-AWEZNQCLSA-N 1 0 245.326 2.331 20 30 BEEDRO COc1ccc(N=NC2CC[N@@H+]3CCC[C@H]23)cc1 ZINC000765585086 585490532 /nfs/dbraw/zinc/49/05/32/585490532.db2.gz WQWOSZVHJHWTIP-CQSZACIVSA-N 1 0 245.326 2.331 20 30 BEEDRO C=C(Cl)CN1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000766250604 585499486 /nfs/dbraw/zinc/49/94/86/585499486.db2.gz AJTUJJYGJUOZKF-GHMZBOCLSA-N 1 0 216.756 2.153 20 30 BEEDRO C#C[C@H](C)[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000766664006 585504785 /nfs/dbraw/zinc/50/47/85/585504785.db2.gz QBPPJJKRKFSVNY-LBPRGKRZSA-N 1 0 217.312 2.463 20 30 BEEDRO C#CCCCN1CC[NH+](CCC(C)(C)C)CC1 ZINC000766894365 585509446 /nfs/dbraw/zinc/50/94/46/585509446.db2.gz BRSPDYOCFWBPGZ-UHFFFAOYSA-N 1 0 236.403 2.454 20 30 BEEDRO C#CC[N@@H+](C[C@H](C)CO)[C@@H]1CCc2ccccc21 ZINC000766896080 585509992 /nfs/dbraw/zinc/50/99/92/585509992.db2.gz PBONUXPGLYMVOU-XJKSGUPXSA-N 1 0 243.350 2.238 20 30 BEEDRO C#CCCCOC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000766898548 585510000 /nfs/dbraw/zinc/51/00/00/585510000.db2.gz DKFOGIMSANSPHA-FRRDWIJNSA-N 1 0 237.343 2.204 20 30 BEEDRO C#CCCC[N@@H+](CCCO)CC(C)(C)C ZINC000766901423 585510386 /nfs/dbraw/zinc/51/03/86/585510386.db2.gz YFEXHOWTQYOPSZ-UHFFFAOYSA-N 1 0 211.349 2.130 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000766905255 585510924 /nfs/dbraw/zinc/51/09/24/585510924.db2.gz IPZBJQNDQXDQFS-LBPRGKRZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000766908904 585511370 /nfs/dbraw/zinc/51/13/70/585511370.db2.gz DHWFJWMVGPKBRO-ZDUSSCGKSA-N 1 0 237.343 2.063 20 30 BEEDRO FC(F)(F)C1CCC(C=[NH+]n2cnnc2)CC1 ZINC000767352195 585517441 /nfs/dbraw/zinc/51/74/41/585517441.db2.gz PHADVUOSIOUJGS-UHFFFAOYSA-N 1 0 246.236 2.481 20 30 BEEDRO C#CCC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000767911966 585528319 /nfs/dbraw/zinc/52/83/19/585528319.db2.gz DGAQJKINENQJFG-LLVKDONJSA-N 1 0 249.276 2.035 20 30 BEEDRO CC1(C)C(N=NC(N)=[NH2+])C[C@H]1c1ccccc1 ZINC000768486769 585539318 /nfs/dbraw/zinc/53/93/18/585539318.db2.gz RGCSOPWDZMSQIG-JTQLQIEISA-N 1 0 230.315 2.039 20 30 BEEDRO C#CC[N@@H+](CC)Cc1ccc(N(C)C)c(F)c1 ZINC000769106791 585549217 /nfs/dbraw/zinc/54/92/17/585549217.db2.gz SWVFOZATZQYPGE-UHFFFAOYSA-N 1 0 234.318 2.347 20 30 BEEDRO Cc1ccc(C[N@H+]2CCOCC[C@H]2C)cc1C#N ZINC000859236422 589023307 /nfs/dbraw/zinc/02/33/07/589023307.db2.gz FHFXREODSKHXAD-CYBMUJFWSA-N 1 0 244.338 2.478 20 30 BEEDRO COCCO[NH+]=C(C)c1ccccc1N(C)C ZINC000769587151 585560149 /nfs/dbraw/zinc/56/01/49/585560149.db2.gz YJBQKKMNWHYXIL-UHFFFAOYSA-N 1 0 236.315 2.140 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000769945224 585567046 /nfs/dbraw/zinc/56/70/46/585567046.db2.gz RLIKTPYNNNOPEE-SMDDNHRTSA-N 1 0 242.322 2.403 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOc1cccc(C)c1 ZINC000769961160 585567400 /nfs/dbraw/zinc/56/74/00/585567400.db2.gz PCNWMUZWBBMEGX-CYBMUJFWSA-N 1 0 217.312 2.327 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)CCOc1ccccc1C ZINC000769960948 585567679 /nfs/dbraw/zinc/56/76/79/585567679.db2.gz GWUUPUYJDPOTTG-CYBMUJFWSA-N 1 0 217.312 2.327 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cccc2nsnc21 ZINC000769960668 585567761 /nfs/dbraw/zinc/56/77/61/585567761.db2.gz GDKFUAWCFBIXBU-SECBINFHSA-N 1 0 231.324 2.145 20 30 BEEDRO C#CCCCCC(=O)OCC[NH+]1CCCCC1 ZINC000770406534 585573644 /nfs/dbraw/zinc/57/36/44/585573644.db2.gz BEDPKBGVMVUWII-UHFFFAOYSA-N 1 0 237.343 2.209 20 30 BEEDRO C#CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1 ZINC000771860403 585602967 /nfs/dbraw/zinc/60/29/67/585602967.db2.gz YBIWZRPCNZCDPT-DZGCQCFKSA-N 1 0 229.323 2.377 20 30 BEEDRO C=C(C)C[C@H](C)C(=O)OCC[NH+](CC)CC ZINC000772363070 585612920 /nfs/dbraw/zinc/61/29/20/585612920.db2.gz KKIUPFLNNQJJAD-LBPRGKRZSA-N 1 0 227.348 2.474 20 30 BEEDRO CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C#N)cc1 ZINC000774167250 585652357 /nfs/dbraw/zinc/65/23/57/585652357.db2.gz VYRHIBWTUJGSLB-LSDHHAIUSA-N 1 0 243.354 2.303 20 30 BEEDRO CC1(O)CCC([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1 ZINC000774213113 585653994 /nfs/dbraw/zinc/65/39/94/585653994.db2.gz KYFOHGOOTFDNTD-ZIHBUVQPSA-N 1 0 236.359 2.352 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000775342693 585676140 /nfs/dbraw/zinc/67/61/40/585676140.db2.gz SOTUFVSDXYXMKC-KGLIPLIRSA-N 1 0 233.286 2.096 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccccc1C)[C@@H]1CCCO1 ZINC000775340867 585676150 /nfs/dbraw/zinc/67/61/50/585676150.db2.gz ISWAQVBBUXRLDG-CABCVRRESA-N 1 0 229.323 2.265 20 30 BEEDRO C#CC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1 ZINC000775399246 585677580 /nfs/dbraw/zinc/67/75/80/585677580.db2.gz APRGTQAQDHCVCR-CQSZACIVSA-N 1 0 229.323 2.377 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)CCC(F)(F)F)[C@H]1CCCO1 ZINC000775572793 585680834 /nfs/dbraw/zinc/68/08/34/585680834.db2.gz CZCYRSSUKLJQOA-OUAUKWLOSA-N 1 0 249.276 2.488 20 30 BEEDRO C=C(C)CC[NH+]1CCC(C2(C)OCCO2)CC1 ZINC000775636167 585681848 /nfs/dbraw/zinc/68/18/48/585681848.db2.gz CDTBEADPSZANQZ-UHFFFAOYSA-N 1 0 239.359 2.428 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(CF)cc1)[C@@H]1CCCO1 ZINC000775806698 585685481 /nfs/dbraw/zinc/68/54/81/585685481.db2.gz NDSUWGFYCUZEBH-GJZGRUSLSA-N 1 0 247.313 2.427 20 30 BEEDRO C#C[C@H]([NH2+]CCCc1ccsc1)[C@H]1CCCO1 ZINC000775804864 585685623 /nfs/dbraw/zinc/68/56/23/585685623.db2.gz CQLOPIHZNFDNLB-UONOGXRCSA-N 1 0 249.379 2.451 20 30 BEEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000775837949 585686077 /nfs/dbraw/zinc/68/60/77/585686077.db2.gz WAFYOPGPQXJRBH-IUODEOHRSA-N 1 0 248.370 2.340 20 30 BEEDRO CCCC(CC)=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000776187341 585692000 /nfs/dbraw/zinc/69/20/00/585692000.db2.gz DTCDJCQORXDJAB-TXEJJXNPSA-N 1 0 236.363 2.413 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H]1CC[C@@H](C)C1 ZINC000776518302 585699617 /nfs/dbraw/zinc/69/96/17/585699617.db2.gz UDGJFRHBXBGELK-HZSPNIEDSA-N 1 0 249.354 2.063 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H]1CC[C@@H](C)C1 ZINC000776518306 585699674 /nfs/dbraw/zinc/69/96/74/585699674.db2.gz UDGJFRHBXBGELK-MGPQQGTHSA-N 1 0 249.354 2.063 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C#N)c(F)c1 ZINC000776738434 585703770 /nfs/dbraw/zinc/70/37/70/585703770.db2.gz ALRVTNVSGJKAOU-GXFFZTMASA-N 1 0 247.317 2.052 20 30 BEEDRO Cc1[nH]cnc1C=NOCCC(F)(F)F ZINC000777458797 585713062 /nfs/dbraw/zinc/71/30/62/585713062.db2.gz DEZYNIOQOIQVLV-UHFFFAOYSA-N 1 0 221.182 2.021 20 30 BEEDRO C#CCCC[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000777742718 585719517 /nfs/dbraw/zinc/71/95/17/585719517.db2.gz IZCLUEIECWCBEV-CQSZACIVSA-N 1 0 221.344 2.291 20 30 BEEDRO C=CC[N@@H+](C)Cc1cccc2nsnc21 ZINC000778160857 585726541 /nfs/dbraw/zinc/72/65/41/585726541.db2.gz GZUZMGDDMZRYPE-UHFFFAOYSA-N 1 0 219.313 2.309 20 30 BEEDRO CCCCCCC[N@@H+]1CCN(C)C(=O)[C@@H]1C ZINC000778254352 585729946 /nfs/dbraw/zinc/72/99/46/585729946.db2.gz XLWLWTLURFSEGN-LBPRGKRZSA-N 1 0 226.364 2.119 20 30 BEEDRO C#CCOCC[NH2+][C@@H](Cc1ccccc1)C(C)C ZINC000779051002 585744692 /nfs/dbraw/zinc/74/46/92/585744692.db2.gz SWAWCNJEQHQSKB-INIZCTEOSA-N 1 0 245.366 2.493 20 30 BEEDRO C[C@H](C#N)OC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC000779123858 585745450 /nfs/dbraw/zinc/74/54/50/585745450.db2.gz YCBODNUEWVNQKV-SNVBAGLBSA-N 1 0 238.331 2.095 20 30 BEEDRO C[C@H](CCO)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000779411307 585753860 /nfs/dbraw/zinc/75/38/60/585753860.db2.gz CMUVSNMJBKLMGG-TZMCWYRMSA-N 1 0 232.327 2.392 20 30 BEEDRO C(=NNc1ccncc1)c1cncc2ccccc12 ZINC000779812373 585766553 /nfs/dbraw/zinc/76/65/53/585766553.db2.gz RUPOISWFOVQQKP-UHFFFAOYSA-N 1 0 248.289 2.498 20 30 BEEDRO COCCC1(C=[NH+]n2cnnc2)CCCCC1 ZINC000780187753 585773448 /nfs/dbraw/zinc/77/34/48/585773448.db2.gz WNNLQRPENYDZEK-UHFFFAOYSA-N 1 0 236.319 2.099 20 30 BEEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1ccnc(F)c1 ZINC000781124806 585790787 /nfs/dbraw/zinc/79/07/87/585790787.db2.gz LSFYJFKZDZFXFE-SECBINFHSA-N 1 0 248.305 2.103 20 30 BEEDRO C[C@@H]1CC(N=Nc2ccnc(F)c2)CC[N@@H+]1C ZINC000781127294 585791039 /nfs/dbraw/zinc/79/10/39/585791039.db2.gz LVMVLQQVACNBEL-SECBINFHSA-N 1 0 236.294 2.103 20 30 BEEDRO CCCCCCC[NH2+][C@H](CO)C1CCOCC1 ZINC000782529344 585819637 /nfs/dbraw/zinc/81/96/37/585819637.db2.gz MCJJZCRTQVHUCG-CQSZACIVSA-N 1 0 243.391 2.334 20 30 BEEDRO FC(F)(F)[C@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000783511359 585835866 /nfs/dbraw/zinc/83/58/66/585835866.db2.gz OFXIYXYXECEAGH-ZETCQYMHSA-N 1 0 232.209 2.235 20 30 BEEDRO C=CCN(Cc1c(Cl)cnn1C)C(C)C ZINC000783529099 585836000 /nfs/dbraw/zinc/83/60/00/585836000.db2.gz GLZYEWHJFCTKMW-UHFFFAOYSA-N 1 0 227.739 2.470 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000805748658 585838711 /nfs/dbraw/zinc/83/87/11/585838711.db2.gz QTIRMCBEXBEQOY-GXTWGEPZSA-N 1 0 245.326 2.147 20 30 BEEDRO CC[C@@H]1CCC[C@H](C=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000783863835 585845124 /nfs/dbraw/zinc/84/51/24/585845124.db2.gz TVOINDHMYHVAQW-TUAOUCFPSA-N 1 0 236.363 2.126 20 30 BEEDRO C[C@H]1CCOCC[N@@H+]1Cc1ccc(CC#N)cc1 ZINC000784265929 585853746 /nfs/dbraw/zinc/85/37/46/585853746.db2.gz BNWBDRKMJFNIRA-ZDUSSCGKSA-N 1 0 244.338 2.363 20 30 BEEDRO C#CCCC[NH+]1CCC([C@@H]2CCOC2)CC1 ZINC000784343951 585856245 /nfs/dbraw/zinc/85/62/45/585856245.db2.gz PCFIIYICBDZRFK-CQSZACIVSA-N 1 0 221.344 2.148 20 30 BEEDRO C=CCCC[N@H+]1CCC[C@H](C2(C)OCCO2)C1 ZINC000784575063 585863813 /nfs/dbraw/zinc/86/38/13/585863813.db2.gz MTBVCVCUHJRTHU-ZDUSSCGKSA-N 1 0 239.359 2.428 20 30 BEEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCCCC#N ZINC000785728162 585878630 /nfs/dbraw/zinc/87/86/30/585878630.db2.gz FEUNRLGFWZRZCT-VXGBXAGGSA-N 1 0 238.331 2.096 20 30 BEEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)OCCCCC#N ZINC000785728161 585878821 /nfs/dbraw/zinc/87/88/21/585878821.db2.gz FEUNRLGFWZRZCT-TXEJJXNPSA-N 1 0 238.331 2.096 20 30 BEEDRO Cc1cc(CN2CC[N@H+](C)[C@H](C)C2)ccc1C#N ZINC000785765940 585880028 /nfs/dbraw/zinc/88/00/28/585880028.db2.gz IXHDFPGAMCSLDS-CYBMUJFWSA-N 1 0 243.354 2.003 20 30 BEEDRO C=CCCN(C)Cn1nc2ccccn2c1=S ZINC000786102103 585887314 /nfs/dbraw/zinc/88/73/14/585887314.db2.gz LSMMGSXOPFJSPW-UHFFFAOYSA-N 1 0 248.355 2.331 20 30 BEEDRO C=CC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786919603 585898814 /nfs/dbraw/zinc/89/88/14/585898814.db2.gz NLFYJDOCPQWSLC-LLVKDONJSA-N 1 0 245.326 2.053 20 30 BEEDRO C=CC[N@H+](C[C@H](O)CC(F)(F)F)C(C)C ZINC000787182636 585902513 /nfs/dbraw/zinc/90/25/13/585902513.db2.gz DAVMZDMWSRLTGZ-SECBINFHSA-N 1 0 225.254 2.196 20 30 BEEDRO CC(C)CN=NC1CCC[C@H]([NH+](C)C)C1 ZINC000788437380 585923395 /nfs/dbraw/zinc/92/33/95/585923395.db2.gz QTSWXRJDDPJJNT-LBPRGKRZSA-N 1 0 211.353 2.092 20 30 BEEDRO C=CCCOCC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000788683855 585929163 /nfs/dbraw/zinc/92/91/63/585929163.db2.gz AKLGTBNCOUCYBP-NSHDSACASA-N 1 0 236.315 2.031 20 30 BEEDRO C#CCCC[NH2+][C@H](C)c1cn2ccccc2n1 ZINC000788775683 585930220 /nfs/dbraw/zinc/93/02/20/585930220.db2.gz JKGPYLORUDHPOA-GFCCVEGCSA-N 1 0 227.311 2.398 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)cc1 ZINC000788852156 585931035 /nfs/dbraw/zinc/93/10/35/585931035.db2.gz DZEIWPUYCMZVAE-XJKSGUPXSA-N 1 0 243.350 2.261 20 30 BEEDRO CC(C)N(C)c1ccc(C=[NH+]NC2CC2)cn1 ZINC000790175758 585959471 /nfs/dbraw/zinc/95/94/71/585959471.db2.gz IVVBPUUMANGNQK-UHFFFAOYSA-N 1 0 232.331 2.012 20 30 BEEDRO C=C(C)[C@@H](C)OC(=O)C1CC[NH+](C2CC2)CC1 ZINC000805916229 585960921 /nfs/dbraw/zinc/96/09/21/585960921.db2.gz DOCUJTBKEIHJCD-LLVKDONJSA-N 1 0 237.343 2.369 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC000790535384 585966010 /nfs/dbraw/zinc/96/60/10/585966010.db2.gz KKZTZCZBMMBPKW-JTQLQIEISA-N 1 0 235.335 2.015 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)OCCC[NH+](C)C ZINC000792170398 585996912 /nfs/dbraw/zinc/99/69/12/585996912.db2.gz KTNFJQGRBGOWOE-LBPRGKRZSA-N 1 0 213.321 2.084 20 30 BEEDRO C=CC[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)C(C)C ZINC000792206579 585998055 /nfs/dbraw/zinc/99/80/55/585998055.db2.gz OXVYTGQTSAPAHU-GFCCVEGCSA-N 1 0 237.343 2.369 20 30 BEEDRO C=C1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000792221453 585998108 /nfs/dbraw/zinc/99/81/08/585998108.db2.gz NKCVXIOIGQMKOW-LBPRGKRZSA-N 1 0 235.327 2.124 20 30 BEEDRO C#CCC[N@@H+](CCC)[C@@H](CC)C(=O)OCC ZINC000792374512 586000237 /nfs/dbraw/zinc/00/02/37/586000237.db2.gz CHYPATNGNMBIPV-LBPRGKRZSA-N 1 0 225.332 2.063 20 30 BEEDRO CC[C@@]1([NH2+]Cc2ccc(F)cc2C#N)CCOC1 ZINC000792419559 586000602 /nfs/dbraw/zinc/00/06/02/586000602.db2.gz QXBYLWCFJOMZOL-CQSZACIVSA-N 1 0 248.301 2.356 20 30 BEEDRO C=C(Cl)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000792554257 586002594 /nfs/dbraw/zinc/00/25/94/586002594.db2.gz XILXLNIGPAGJJG-UHFFFAOYSA-N 1 0 236.658 2.244 20 30 BEEDRO C#CCCC[NH+]1CCC2(CCOCC2)CC1 ZINC000792933858 586007411 /nfs/dbraw/zinc/00/74/11/586007411.db2.gz OAZDHTPDFXXOKM-UHFFFAOYSA-N 1 0 221.344 2.292 20 30 BEEDRO N#CCOc1ccc(C[NH2+]CC2(F)CC2)cc1 ZINC000792976417 586007974 /nfs/dbraw/zinc/00/79/74/586007974.db2.gz NZQKJHOLHIEYNH-UHFFFAOYSA-N 1 0 234.274 2.181 20 30 BEEDRO C[C@H](NN=C1C[C@H](C)N(C)C1)C(C)(C)C ZINC000793110894 586010328 /nfs/dbraw/zinc/01/03/28/586010328.db2.gz CKANNIXKZBIPBD-UWVGGRQHSA-N 1 0 211.353 2.091 20 30 BEEDRO C[C@H](NN=C1CC[N@@H+]2CCC[C@@H]12)C(C)(C)C ZINC000793112834 586010518 /nfs/dbraw/zinc/01/05/18/586010518.db2.gz XRUQGJFVDDQYRX-JQWIXIFHSA-N 1 0 223.364 2.235 20 30 BEEDRO C=C(C)[C@H](C)OC(=O)c1ccc2c[nH+]cn2c1 ZINC000793205962 586013904 /nfs/dbraw/zinc/01/39/04/586013904.db2.gz RLQADIUBSRRRDP-JTQLQIEISA-N 1 0 230.267 2.456 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@H]1CCCNC1=O ZINC000793530324 586021882 /nfs/dbraw/zinc/02/18/82/586021882.db2.gz WTMGCNOFTMRKQG-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000793527961 586021931 /nfs/dbraw/zinc/02/19/31/586021931.db2.gz QYWANPJXHMLAEH-CHWSQXEVSA-N 1 0 238.375 2.332 20 30 BEEDRO C[N@@H+]1CCCC(=NNCCC(F)(F)F)CC1 ZINC000794547657 586043485 /nfs/dbraw/zinc/04/34/85/586043485.db2.gz JDWPNEZTAPGWGP-UHFFFAOYSA-N 1 0 237.269 2.000 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1cccc2c1OCCO2 ZINC000794579287 586045043 /nfs/dbraw/zinc/04/50/43/586045043.db2.gz YXLYZIVNPJXAKK-UHFFFAOYSA-N 1 0 245.322 2.301 20 30 BEEDRO CC#CC[NH2+][C@@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794599944 586045372 /nfs/dbraw/zinc/04/53/72/586045372.db2.gz IKRSRVQZQXISFC-LSDHHAIUSA-N 1 0 231.339 2.358 20 30 BEEDRO C#CCC[NH2+][C@H](C(C)C)[C@H](O)c1ccccc1 ZINC000794609736 586045788 /nfs/dbraw/zinc/04/57/88/586045788.db2.gz FRTGPIZEFGXLOQ-HUUCEWRRSA-N 1 0 231.339 2.358 20 30 BEEDRO CC(=NNC(N)=[NH2+])c1cccc(CC(C)C)c1 ZINC000794886980 586053613 /nfs/dbraw/zinc/05/36/13/586053613.db2.gz CGEHROZOAMZZEC-UHFFFAOYSA-N 1 0 232.331 2.092 20 30 BEEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1ncccc1F ZINC000794993278 586062534 /nfs/dbraw/zinc/06/25/34/586062534.db2.gz KSLOUAZSLUEVQV-VIFPVBQESA-N 1 0 248.305 2.103 20 30 BEEDRO C[N@@H+]1CCCC(N=Nc2cccc(F)n2)CC1 ZINC000795008656 586065028 /nfs/dbraw/zinc/06/50/28/586065028.db2.gz NQQBSFZHAZYEGY-UHFFFAOYSA-N 1 0 236.294 2.104 20 30 BEEDRO CCCCCCC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000796573965 586107272 /nfs/dbraw/zinc/10/72/72/586107272.db2.gz FAYPLOXXYWRGJX-CYBMUJFWSA-N 1 0 226.364 2.154 20 30 BEEDRO CC[C@H]1CC[C@H](C)CC1=[NH+]n1cnnc1 ZINC000797399012 586126439 /nfs/dbraw/zinc/12/64/39/586126439.db2.gz YDYDONMAOVTMHD-UWVGGRQHSA-N 1 0 206.293 2.328 20 30 BEEDRO C#CCCCCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798850222 586151429 /nfs/dbraw/zinc/15/14/29/586151429.db2.gz LUROTUYIMCXIBX-ZDUSSCGKSA-N 1 0 239.359 2.309 20 30 BEEDRO COc1ccccc1CON=C1C[C@H](C)[N@H+](C)C1 ZINC000799116809 586158227 /nfs/dbraw/zinc/15/82/27/586158227.db2.gz BCNKKATWBWZAEZ-NSHDSACASA-N 1 0 248.326 2.292 20 30 BEEDRO N#CC1(CCC[N@@H+]2CC[C@@H]3C[C@@H]32)CCOCC1 ZINC000799148397 586161389 /nfs/dbraw/zinc/16/13/89/586161389.db2.gz SKAOVJIGUGRPDZ-OLZOCXBDSA-N 1 0 234.343 2.181 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@H](OCC)C1CC1 ZINC000859318442 589031373 /nfs/dbraw/zinc/03/13/73/589031373.db2.gz ATQGOLZULUSHMY-QWHCGFSZSA-N 1 0 209.333 2.193 20 30 BEEDRO Cc1cc(NCC2CCC(C#N)CC2)nc(N)[nH+]1 ZINC000799324359 586171640 /nfs/dbraw/zinc/17/16/40/586171640.db2.gz QFYVWIKZPRKQCD-UHFFFAOYSA-N 1 0 245.330 2.109 20 30 BEEDRO C#CCCC[N@@H+](C)Cc1cnc(C(C)C)nc1 ZINC000799333869 586172003 /nfs/dbraw/zinc/17/20/03/586172003.db2.gz JTWBMLFETZXSST-UHFFFAOYSA-N 1 0 231.343 2.445 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1 ZINC000859336361 589032264 /nfs/dbraw/zinc/03/22/64/589032264.db2.gz OFLIXFVREALDLZ-LBPRGKRZSA-N 1 0 247.313 2.163 20 30 BEEDRO Cc1cccc([C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000799720488 586193751 /nfs/dbraw/zinc/19/37/51/586193751.db2.gz PMPDFGAMRKHCRF-NWANDNLSSA-N 1 0 244.338 2.310 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000799716771 586193947 /nfs/dbraw/zinc/19/39/47/586193947.db2.gz XCVXSNKMAIWQRE-LERXQTSPSA-N 1 0 248.301 2.141 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CCC1)[C@@H]1CCCO1 ZINC000800982359 586239234 /nfs/dbraw/zinc/23/92/34/586239234.db2.gz HVRMXAATUKNWJZ-BARDWOONSA-N 1 0 233.355 2.336 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC000859445627 589037779 /nfs/dbraw/zinc/03/77/79/589037779.db2.gz METQVFLCPGKUEM-NSHDSACASA-N 1 0 206.289 2.381 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000859446071 589037903 /nfs/dbraw/zinc/03/79/03/589037903.db2.gz UJEVMQACHFWASS-RYUDHWBXSA-N 1 0 225.332 2.036 20 30 BEEDRO C=CCC[C@@H](C)[N@@H+]1CCO[C@H](C(F)F)C1 ZINC000801568253 586264463 /nfs/dbraw/zinc/26/44/63/586264463.db2.gz PUWRSXHYYQDQLC-ZJUUUORDSA-N 1 0 219.275 2.307 20 30 BEEDRO CCSCC[C@H](C)[N@H+](C)CCO[C@H](C)C#N ZINC000801934853 586278426 /nfs/dbraw/zinc/27/84/26/586278426.db2.gz RZMDEJZIVKTEQG-NWDGAFQWSA-N 1 0 244.404 2.379 20 30 BEEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000801937512 586279272 /nfs/dbraw/zinc/27/92/72/586279272.db2.gz OXYBCRQADHDYIS-VXGBXAGGSA-N 1 0 243.310 2.138 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000801936235 586279659 /nfs/dbraw/zinc/27/96/59/586279659.db2.gz KXFYIFOYYCRBGA-GXTWGEPZSA-N 1 0 245.326 2.147 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)C[C@@H]1CC=CCC1 ZINC000801937869 586279708 /nfs/dbraw/zinc/27/97/08/586279708.db2.gz AWHXVLASCBXZCS-CHWSQXEVSA-N 1 0 222.332 2.203 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000801938363 586279768 /nfs/dbraw/zinc/27/97/68/586279768.db2.gz FSVWXOKVMCQJDA-NWDGAFQWSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC000801941392 586280907 /nfs/dbraw/zinc/28/09/07/586280907.db2.gz NMFNNFBIEWMZFY-NEPJUHHUSA-N 1 0 224.348 2.283 20 30 BEEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000801940050 586281057 /nfs/dbraw/zinc/28/10/57/586281057.db2.gz XTJRVQRSKFNQCH-REWJHTLYSA-N 1 0 236.359 2.426 20 30 BEEDRO C#CCOCC[NH2+][C@H](c1ccccn1)C1CCC1 ZINC000859567468 589045552 /nfs/dbraw/zinc/04/55/52/589045552.db2.gz GXENVPMEKDAHNB-HNNXBMFYSA-N 1 0 244.338 2.162 20 30 BEEDRO CC(C)[C@@H](C(=O)OCCC(C)(C)C#N)[NH+](C)C ZINC000803497406 586361468 /nfs/dbraw/zinc/36/14/68/586361468.db2.gz KWKZBNNNKWBJHI-NSHDSACASA-N 1 0 240.347 2.056 20 30 BEEDRO C=C(CC)COC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803498044 586361922 /nfs/dbraw/zinc/36/19/22/586361922.db2.gz PNHMADGIBXIHSH-LLVKDONJSA-N 1 0 213.321 2.082 20 30 BEEDRO C#CCCCOC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000803857305 586377502 /nfs/dbraw/zinc/37/75/02/586377502.db2.gz YOKZANZAYVVGAT-ZDUSSCGKSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(C)COC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000803855931 586377951 /nfs/dbraw/zinc/37/79/51/586377951.db2.gz KVMSRHPIXHOMBQ-GFCCVEGCSA-N 1 0 225.332 2.370 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C(=O)CCC1(C)C ZINC000808160405 586465557 /nfs/dbraw/zinc/46/55/57/586465557.db2.gz PXQSCBPBDHNVBW-UHFFFAOYSA-N 1 0 224.348 2.243 20 30 BEEDRO C=CC1CC[NH+](CN2C(=O)CCC2(C)C)CC1 ZINC000808157480 586465904 /nfs/dbraw/zinc/46/59/04/586465904.db2.gz KEPMGDPJIVMCOA-UHFFFAOYSA-N 1 0 236.359 2.243 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H](O)c1ccccc1 ZINC000808722094 586484364 /nfs/dbraw/zinc/48/43/64/586484364.db2.gz YUSILXHDYYPZLC-VIRABCJISA-N 1 0 244.338 2.390 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H](O)c1ccccc1 ZINC000808722093 586484447 /nfs/dbraw/zinc/48/44/47/586484447.db2.gz YUSILXHDYYPZLC-MXYBEHONSA-N 1 0 244.338 2.390 20 30 BEEDRO CCC[N@@H+](Cc1ccccc1)C[C@H](O)CC#N ZINC000809569682 586507004 /nfs/dbraw/zinc/50/70/04/586507004.db2.gz DTKLQKJTMCRZHE-CQSZACIVSA-N 1 0 232.327 2.173 20 30 BEEDRO C#Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1 ZINC000809568983 586507116 /nfs/dbraw/zinc/50/71/16/586507116.db2.gz JWHKGUBPVMTBEW-ZDUSSCGKSA-N 1 0 231.339 2.259 20 30 BEEDRO CC(C)[C@H]([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000809571437 586507190 /nfs/dbraw/zinc/50/71/90/586507190.db2.gz RKYRCQITAWMAHW-KGLIPLIRSA-N 1 0 232.327 2.248 20 30 BEEDRO C#Cc1ccc(C[NH2+]C[C@@H](C)N(CC)CC)cc1 ZINC000809604599 586509080 /nfs/dbraw/zinc/50/90/80/586509080.db2.gz WPAYHPRDUOISFQ-CQSZACIVSA-N 1 0 244.382 2.488 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCc2cccnc2)cc1 ZINC000809603982 586509109 /nfs/dbraw/zinc/50/91/09/586509109.db2.gz CVEIDSHXYPFRAW-UHFFFAOYSA-N 1 0 236.318 2.395 20 30 BEEDRO C=CCOCC[NH2+]CCCc1cnccc1C ZINC000809636780 586510377 /nfs/dbraw/zinc/51/03/77/586510377.db2.gz DUNQQHJSANYLCL-UHFFFAOYSA-N 1 0 234.343 2.115 20 30 BEEDRO C#Cc1ccc(C[NH2+]Cc2ccncc2)cc1 ZINC000809649956 586510857 /nfs/dbraw/zinc/51/08/57/586510857.db2.gz IZIDGDMTBCSBDT-UHFFFAOYSA-N 1 0 222.291 2.353 20 30 BEEDRO C#C[C@H]([NH2+]Cc1cnc2ccccn12)C(C)C ZINC000809685554 586512445 /nfs/dbraw/zinc/51/24/45/586512445.db2.gz ZXRLHJQJKPNYAI-ZDUSSCGKSA-N 1 0 227.311 2.082 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000809698307 586513150 /nfs/dbraw/zinc/51/31/50/586513150.db2.gz YDXGXGZXSUVNAV-AWEZNQCLSA-N 1 0 242.366 2.194 20 30 BEEDRO C#CCCC[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000810045895 586532851 /nfs/dbraw/zinc/53/28/51/586532851.db2.gz YENYIMMHEVHJSY-SNVBAGLBSA-N 1 0 201.260 2.377 20 30 BEEDRO C=C[C@@H](C)OC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810700407 586544889 /nfs/dbraw/zinc/54/48/89/586544889.db2.gz FYROHTNXIHCMMK-MFKMUULPSA-N 1 0 243.322 2.317 20 30 BEEDRO CC#CCCCC(=O)O[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000810838509 586547827 /nfs/dbraw/zinc/54/78/27/586547827.db2.gz QBGUUAZHULOAMH-KGLIPLIRSA-N 1 0 249.354 2.350 20 30 BEEDRO C#CC[N@H+](CC1Cc2ccccc2C1)C1CC1 ZINC000811490678 586560037 /nfs/dbraw/zinc/56/00/37/586560037.db2.gz SLDDKAXFWBOXMU-UHFFFAOYSA-N 1 0 225.335 2.499 20 30 BEEDRO C=C(C)CN[NH+]=Cc1ccc(N(C)C)cc1 ZINC000811650159 586562783 /nfs/dbraw/zinc/56/27/83/586562783.db2.gz NREPNXOTFOSBIY-UHFFFAOYSA-N 1 0 217.316 2.252 20 30 BEEDRO CCO[NH+]=C(C)c1cccc(N2CCOCC2)c1 ZINC000812457595 586577605 /nfs/dbraw/zinc/57/76/05/586577605.db2.gz PMBFBRMBOKYMIG-UHFFFAOYSA-N 1 0 248.326 2.284 20 30 BEEDRO CON=C(C)c1ccc(C[NH+](C)C)cc1 ZINC000814795746 586634587 /nfs/dbraw/zinc/63/45/87/586634587.db2.gz LXFINAYHKSEEKZ-UHFFFAOYSA-N 1 0 206.289 2.119 20 30 BEEDRO C[C@H]1CCC(=NNCC[NH+]2CCCCC2)C1 ZINC000814808829 586636159 /nfs/dbraw/zinc/63/61/59/586636159.db2.gz TUIYUYLIUAGBLV-LBPRGKRZSA-N 1 0 223.364 2.238 20 30 BEEDRO C=CCC1([NH2+]CC2OCCO2)CCCCC1 ZINC000859744691 589058220 /nfs/dbraw/zinc/05/82/20/589058220.db2.gz OUZUUWUAJNTVCD-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO CCC(=[NH+]N[C@H](C)COC)c1cccc(N)c1 ZINC000814895549 586644786 /nfs/dbraw/zinc/64/47/86/586644786.db2.gz NXYRCYDDLTYKNE-SNVBAGLBSA-N 1 0 235.331 2.007 20 30 BEEDRO CCC(=[NH+]NCCCOC)c1cccc(N)c1 ZINC000814919563 586650998 /nfs/dbraw/zinc/65/09/98/586650998.db2.gz VVFJHUNCPCYPMO-UHFFFAOYSA-N 1 0 235.331 2.009 20 30 BEEDRO CCC(N=Nc1cncnc1)c1cccc(N)c1 ZINC000814926685 586651955 /nfs/dbraw/zinc/65/19/55/586651955.db2.gz FMOGEVQEDQANJW-UHFFFAOYSA-N 1 0 241.298 2.285 20 30 BEEDRO C=CCNN=C(C)c1ccc(C[NH+](C)C)cc1 ZINC000814927947 586652822 /nfs/dbraw/zinc/65/28/22/586652822.db2.gz OMQLWUIMXNFXDJ-UHFFFAOYSA-N 1 0 231.343 2.248 20 30 BEEDRO C#CCCC[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000859797254 589061803 /nfs/dbraw/zinc/06/18/03/589061803.db2.gz SVBSEYOKXJMCGJ-UHFFFAOYSA-N 1 0 241.338 2.126 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817298646 586794045 /nfs/dbraw/zinc/79/40/45/586794045.db2.gz NXBVWFRGYRQZNO-NSHDSACASA-N 1 0 217.740 2.223 20 30 BEEDRO C=CC[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895302 586834970 /nfs/dbraw/zinc/83/49/70/586834970.db2.gz XQOFMNBQAMKYLR-QEJZJMRPSA-N 1 0 245.370 2.429 20 30 BEEDRO C=CC[C@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895303 586835044 /nfs/dbraw/zinc/83/50/44/586835044.db2.gz XQOFMNBQAMKYLR-SNPRPXQTSA-N 1 0 245.370 2.429 20 30 BEEDRO C=CC[C@@H](N[C@H](C)[C@@H]1CCC[NH2+]1)c1ccncc1 ZINC000817895304 586835158 /nfs/dbraw/zinc/83/51/58/586835158.db2.gz XQOFMNBQAMKYLR-VHDGCEQUSA-N 1 0 245.370 2.429 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000818224903 586881117 /nfs/dbraw/zinc/88/11/17/586881117.db2.gz SQKLYXBFSGPYLA-WFASDCNBSA-N 1 0 247.338 2.381 20 30 BEEDRO C#CCCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCC[C@H]21 ZINC000859955598 589073683 /nfs/dbraw/zinc/07/36/83/589073683.db2.gz WJNMDEBTOMJZIH-MELADBBJSA-N 1 0 249.354 2.063 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000818950359 586917462 /nfs/dbraw/zinc/91/74/62/586917462.db2.gz VSMWIARYPHLAFR-IUCAKERBSA-N 1 0 246.141 2.213 20 30 BEEDRO Cc1ccccc1[C@H](O)C[NH2+]CCCCC#N ZINC000819016763 586923454 /nfs/dbraw/zinc/92/34/54/586923454.db2.gz TUNQRRYAPXSFRO-CQSZACIVSA-N 1 0 232.327 2.312 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000819115603 586931408 /nfs/dbraw/zinc/93/14/08/586931408.db2.gz FBIDLRNOLWIVQW-HNNXBMFYSA-N 1 0 231.339 2.340 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000819115425 586931415 /nfs/dbraw/zinc/93/14/15/586931415.db2.gz BAEXXRKMHLBEPH-AWEZNQCLSA-N 1 0 235.302 2.171 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)CCC(C)C ZINC000819153546 586933579 /nfs/dbraw/zinc/93/35/79/586933579.db2.gz HNPDDJNQSFTTES-CYBMUJFWSA-N 1 0 211.349 2.177 20 30 BEEDRO C=C(C)COCC[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000819161246 586934325 /nfs/dbraw/zinc/93/43/25/586934325.db2.gz CXQIABWAZFTBDA-HNNXBMFYSA-N 1 0 249.354 2.211 20 30 BEEDRO CC#CCC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000819213049 586939306 /nfs/dbraw/zinc/93/93/06/586939306.db2.gz HXDXMKZIMZHSHG-ZDUSSCGKSA-N 1 0 237.730 2.376 20 30 BEEDRO Cc1ccccc1[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000819218622 586939863 /nfs/dbraw/zinc/93/98/63/586939863.db2.gz INVSEHXJPNBSDY-ZDUSSCGKSA-N 1 0 232.327 2.168 20 30 BEEDRO C=CCC1(C[NH2+]C[C@@H](O)C2CC2)CCCC1 ZINC000819353234 586955471 /nfs/dbraw/zinc/95/54/71/586955471.db2.gz AYOTVNCQYPGKCM-CYBMUJFWSA-N 1 0 223.360 2.483 20 30 BEEDRO C[C@@H](NN=C1CC[N@H+](C)[C@H](C)C1)c1ccncc1 ZINC000819814627 586998594 /nfs/dbraw/zinc/99/85/94/586998594.db2.gz CTWRZWUQDUQWCP-VXGBXAGGSA-N 1 0 246.358 2.202 20 30 BEEDRO C=C(C)C(C)(C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000819931917 587003767 /nfs/dbraw/zinc/00/37/67/587003767.db2.gz VVQWLHLRINSAMI-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO CCCCCCCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160589 589084247 /nfs/dbraw/zinc/08/42/47/589084247.db2.gz XUJDNTYXTLCYQR-CHWSQXEVSA-N 1 0 239.359 2.452 20 30 BEEDRO CCCCCCCCNC(=O)[C@@H](C)[NH+](C)C ZINC000821307327 587106566 /nfs/dbraw/zinc/10/65/66/587106566.db2.gz RMQDICQCYUWKCU-GFCCVEGCSA-N 1 0 228.380 2.413 20 30 BEEDRO C[C@@H](C#N)COC(=O)c1cccc(C[NH+](C)C)c1 ZINC000821626781 587133432 /nfs/dbraw/zinc/13/34/32/587133432.db2.gz ZBHBKWIJFUVVDC-NSHDSACASA-N 1 0 246.310 2.065 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ncc2F)C1 ZINC000822497921 587171766 /nfs/dbraw/zinc/17/17/66/587171766.db2.gz OHWKPAAFMGLKJT-WCBMZHEXSA-N 1 0 237.253 2.142 20 30 BEEDRO C=CCC(C)(C)c1noc([C@H]2CC[NH2+][C@H]2C)n1 ZINC000823248507 587211494 /nfs/dbraw/zinc/21/14/94/587211494.db2.gz QNSUERQKMUYVFK-UWVGGRQHSA-N 1 0 235.331 2.389 20 30 BEEDRO CC1(C#N)CCC([NH2+]C[C@H](O)c2ccco2)CC1 ZINC000823630203 587233093 /nfs/dbraw/zinc/23/30/93/587233093.db2.gz FGKCGZWRRYOMJX-LXVYMNJGSA-N 1 0 248.326 2.375 20 30 BEEDRO CC(C)C[C@@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000823736779 587238811 /nfs/dbraw/zinc/23/88/11/587238811.db2.gz NHSHLFPXEIZLGJ-ROKHWSDSSA-N 1 0 238.375 2.455 20 30 BEEDRO C=CCCCC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824084139 587254301 /nfs/dbraw/zinc/25/43/01/587254301.db2.gz FAFCAAZFPBFDCM-NEPJUHHUSA-N 1 0 238.375 2.188 20 30 BEEDRO N#CCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000824301668 587265623 /nfs/dbraw/zinc/26/56/23/587265623.db2.gz BTMAHJFILREFCB-CQSZACIVSA-N 1 0 214.312 2.437 20 30 BEEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCn2ccnc21 ZINC000824525744 587272644 /nfs/dbraw/zinc/27/26/44/587272644.db2.gz DANPZGZLAVWZJQ-WDEREUQCSA-N 1 0 205.305 2.272 20 30 BEEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](F)C2)cc1 ZINC000824571456 587276938 /nfs/dbraw/zinc/27/69/38/587276938.db2.gz MCWMUFUHKOSBJP-CYBMUJFWSA-N 1 0 203.260 2.212 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(COC)cs1 ZINC000824621015 587279793 /nfs/dbraw/zinc/27/97/93/587279793.db2.gz FGJNYANFPNJUBG-UHFFFAOYSA-N 1 0 223.341 2.350 20 30 BEEDRO N#CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)nc2)C1 ZINC000824690769 587283085 /nfs/dbraw/zinc/28/30/85/587283085.db2.gz LHPMRENTKGMOIA-JQWIXIFHSA-N 1 0 233.290 2.393 20 30 BEEDRO CCCCCCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000824844771 587289737 /nfs/dbraw/zinc/28/97/37/587289737.db2.gz ICEPYZDPGIVLEV-CYBMUJFWSA-N 1 0 240.391 2.415 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824861807 587291036 /nfs/dbraw/zinc/29/10/36/587291036.db2.gz QJHLJXQPQWKJIG-KGLIPLIRSA-N 1 0 245.322 2.055 20 30 BEEDRO C#CC[N@@H+](Cc1cnc(C)n1C)C1CCCC1 ZINC000824902107 587292423 /nfs/dbraw/zinc/29/24/23/587292423.db2.gz RGKSACRYKVMGRZ-UHFFFAOYSA-N 1 0 231.343 2.106 20 30 BEEDRO C#Cc1cccc(C[NH2+]CC[C@@H]2CCOC2)c1 ZINC000825227565 587309993 /nfs/dbraw/zinc/30/99/93/587309993.db2.gz UTSXCDFIYASRNL-CQSZACIVSA-N 1 0 229.323 2.184 20 30 BEEDRO C#Cc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000825226519 587310253 /nfs/dbraw/zinc/31/02/53/587310253.db2.gz HYRQANNSUDYOCW-OAHLLOKOSA-N 1 0 227.307 2.450 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)c1ccccc1 ZINC000840494239 587311055 /nfs/dbraw/zinc/31/10/55/587311055.db2.gz UDXQZPXQEGUMEM-CQSZACIVSA-N 1 0 246.354 2.372 20 30 BEEDRO C#CCCCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000825831783 587340853 /nfs/dbraw/zinc/34/08/53/587340853.db2.gz BEMUFQPABYBNRB-UHFFFAOYSA-N 1 0 244.342 2.153 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000825878271 587343479 /nfs/dbraw/zinc/34/34/79/587343479.db2.gz HSQFIRYTNDXSMJ-SNVBAGLBSA-N 1 0 233.286 2.478 20 30 BEEDRO C#C[C@H](CC)[NH2+][C@@H](C)CC(C)(C)CC(=O)OC ZINC000825878240 587343505 /nfs/dbraw/zinc/34/35/05/587343505.db2.gz GQCXARBRDHNYQH-NWDGAFQWSA-N 1 0 239.359 2.356 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2ccnn2CCC)C1 ZINC000826535090 587354012 /nfs/dbraw/zinc/35/40/12/587354012.db2.gz SARVQHGRWIHAEE-ZDUSSCGKSA-N 1 0 231.343 2.138 20 30 BEEDRO Cc1cc(C[NH2+]CCc2ccc(C#N)cc2)no1 ZINC000826837915 587363949 /nfs/dbraw/zinc/36/39/49/587363949.db2.gz CYACPVHMCBYVKT-UHFFFAOYSA-N 1 0 241.294 2.187 20 30 BEEDRO CCOc1cccc(C[NH+]2CC(CC#N)C2)c1O ZINC000826990847 587367270 /nfs/dbraw/zinc/36/72/70/587367270.db2.gz OOYNUIAIBFAKGI-UHFFFAOYSA-N 1 0 246.310 2.136 20 30 BEEDRO C#CC[N@@H+](C[C@@H](O)CCC)C1CCCCC1 ZINC000827515952 587385736 /nfs/dbraw/zinc/38/57/36/587385736.db2.gz KNFGELXUNKNUAZ-AWEZNQCLSA-N 1 0 223.360 2.415 20 30 BEEDRO C#C[C@H]([NH2+][C@H](C)c1ccccn1)C1CCOCC1 ZINC000827565195 587388394 /nfs/dbraw/zinc/38/83/94/587388394.db2.gz JSFNYFUAELCRCP-OCCSQVGLSA-N 1 0 244.338 2.161 20 30 BEEDRO C#C[C@H]([NH2+][C@H](CC)C(C)C)C1CCOCC1 ZINC000827566474 587389089 /nfs/dbraw/zinc/38/90/89/587389089.db2.gz VRJUJBNWVKJOBF-KGLIPLIRSA-N 1 0 223.360 2.439 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)C1CCOCC1 ZINC000827565780 587389110 /nfs/dbraw/zinc/38/91/10/587389110.db2.gz ONCTUMZOXCODNJ-FPMFFAJLSA-N 1 0 221.344 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]CC(C)(C)C)C1CCOCC1 ZINC000827570654 587389333 /nfs/dbraw/zinc/38/93/33/587389333.db2.gz PPSCXZPCFGFSTK-GFCCVEGCSA-N 1 0 209.333 2.051 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)o1)C1CCOCC1 ZINC000827571343 587389564 /nfs/dbraw/zinc/38/95/64/587389564.db2.gz ZGCAFZCNUYNYTB-CQSZACIVSA-N 1 0 233.311 2.106 20 30 BEEDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C#N)C2)c1 ZINC000827648525 587394183 /nfs/dbraw/zinc/39/41/83/587394183.db2.gz AOGMBBANRVNZHJ-AWEZNQCLSA-N 1 0 230.311 2.436 20 30 BEEDRO C=CCCCC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000827661935 587394842 /nfs/dbraw/zinc/39/48/42/587394842.db2.gz WNUMBNHUZYMCGE-ZDUSSCGKSA-N 1 0 239.359 2.428 20 30 BEEDRO C#CCC[N@@H+](CCOC)Cc1cc(C#N)cs1 ZINC000827823650 587404475 /nfs/dbraw/zinc/40/44/75/587404475.db2.gz SHYZHROWWJLMCH-UHFFFAOYSA-N 1 0 248.351 2.091 20 30 BEEDRO C#CCN(CC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000828890755 587469070 /nfs/dbraw/zinc/46/90/70/587469070.db2.gz DDNAPLARFQNHST-UHFFFAOYSA-N 1 0 242.366 2.216 20 30 BEEDRO C#C[C@H]([NH2+]CCCCC=C)[C@@H]1CCCO1 ZINC000828953618 587473749 /nfs/dbraw/zinc/47/37/49/587473749.db2.gz JSHORTSQOSSMKX-STQMWFEESA-N 1 0 207.317 2.113 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](CCCSCC#N)C1 ZINC000829784017 587513854 /nfs/dbraw/zinc/51/38/54/587513854.db2.gz DGMWDUTXIWBUDE-ZDUSSCGKSA-N 1 0 236.384 2.369 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cc(C)on2)C1 ZINC000829774615 587514935 /nfs/dbraw/zinc/51/49/35/587514935.db2.gz QXTQMWUYCOWXSO-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000829773371 587515009 /nfs/dbraw/zinc/51/50/09/587515009.db2.gz DNLRHFZUWJWPTB-KBPBESRZSA-N 1 0 229.327 2.165 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC000829774365 587515317 /nfs/dbraw/zinc/51/53/17/587515317.db2.gz PKMRMEHZODAIAL-GOEBONIOSA-N 1 0 243.350 2.455 20 30 BEEDRO C#CC[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000829779407 587515504 /nfs/dbraw/zinc/51/55/04/587515504.db2.gz TZMNURZCLZBWTP-ZDUSSCGKSA-N 1 0 214.312 2.317 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)c2nnc(C)o2)C1 ZINC000829779315 587515933 /nfs/dbraw/zinc/51/59/33/587515933.db2.gz QJBZJSBGEHCOQG-ZYHUDNBSSA-N 1 0 233.315 2.174 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ncc(C)o2)C1 ZINC000829784881 587516233 /nfs/dbraw/zinc/51/62/33/587516233.db2.gz NRGORACTKZIADF-GFCCVEGCSA-N 1 0 218.300 2.218 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000829809894 587517682 /nfs/dbraw/zinc/51/76/82/587517682.db2.gz JRYOQBFBYKKZEA-QWHCGFSZSA-N 1 0 204.317 2.414 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2ccc(F)cn2)C1 ZINC000829810644 587518253 /nfs/dbraw/zinc/51/82/53/587518253.db2.gz SNTVOZWJIRNALJ-GFCCVEGCSA-N 1 0 232.302 2.456 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1 ZINC000829809755 587518639 /nfs/dbraw/zinc/51/86/39/587518639.db2.gz GPUINUCCHOYZLY-QWRGUYRKSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000829815219 587519541 /nfs/dbraw/zinc/51/95/41/587519541.db2.gz HKQLBBAJNHTKAF-QWRGUYRKSA-N 1 0 249.276 2.035 20 30 BEEDRO C#CC[C@@H]1CCCN(Cc2nnc(C(C)C)[nH]2)C1 ZINC000829816096 587519660 /nfs/dbraw/zinc/51/96/60/587519660.db2.gz ZGURNUJNWBACRZ-GFCCVEGCSA-N 1 0 246.358 2.163 20 30 BEEDRO C#CC1CC[NH+](Cc2ccccc2C#N)CC1 ZINC000830305716 587545349 /nfs/dbraw/zinc/54/53/49/587545349.db2.gz RVRCQCWLNSTJQC-UHFFFAOYSA-N 1 0 224.307 2.403 20 30 BEEDRO C#CC1CC[NH+](Cc2cc(OC)cc(C)n2)CC1 ZINC000830345712 587546736 /nfs/dbraw/zinc/54/67/36/587546736.db2.gz OLPACAPXISIUDE-UHFFFAOYSA-N 1 0 244.338 2.244 20 30 BEEDRO C#CC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000830396844 587549315 /nfs/dbraw/zinc/54/93/15/587549315.db2.gz VTHIOEQKDZZUMG-JKSUJKDBSA-N 1 0 243.350 2.078 20 30 BEEDRO C#CC[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000830396842 587549369 /nfs/dbraw/zinc/54/93/69/587549369.db2.gz VTHIOEQKDZZUMG-HOTGVXAUSA-N 1 0 243.350 2.078 20 30 BEEDRO C=C1CCC(CNC(=O)C[NH+](CC)CC)CC1 ZINC000830997824 587581108 /nfs/dbraw/zinc/58/11/08/587581108.db2.gz CAPDOKXHKNOSTM-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO C=CC[C@@H](CC)NC(=O)NCCCCCC[NH3+] ZINC000831161542 587588583 /nfs/dbraw/zinc/58/85/83/587588583.db2.gz ZRXPSDUZWOJWCX-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO C#CCC[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000831359383 587600985 /nfs/dbraw/zinc/60/09/85/587600985.db2.gz VRBMMXXAZNZUES-NWDGAFQWSA-N 1 0 209.333 2.191 20 30 BEEDRO C#CCCC[NH2+][C@@H](C(C)C)[C@@H](CO)C(C)C ZINC000831665123 587626993 /nfs/dbraw/zinc/62/69/93/587626993.db2.gz ZPLQABRZXLORQS-KBPBESRZSA-N 1 0 225.376 2.279 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C/C(Cl)=C/Cl ZINC000831683398 587627311 /nfs/dbraw/zinc/62/73/11/587627311.db2.gz RDNLPXJWDVBCQC-ZONUIFDKSA-N 1 0 222.115 2.239 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C/C=C/Cl ZINC000831823574 587633294 /nfs/dbraw/zinc/63/32/94/587633294.db2.gz XAKOVGZETWIJSX-HANDCERCSA-N 1 0 201.697 2.062 20 30 BEEDRO C#CCCC[N@@H+]1CCc2cccc(OC)c2C1 ZINC000831949188 587638148 /nfs/dbraw/zinc/63/81/48/587638148.db2.gz UIZOOQYBOJAMAJ-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](COC)CC1 ZINC000832740852 587681874 /nfs/dbraw/zinc/68/18/74/587681874.db2.gz YNKBUOTUVCESCH-NSHDSACASA-N 1 0 217.740 2.487 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H](COC)CC1 ZINC000832740850 587682019 /nfs/dbraw/zinc/68/20/19/587682019.db2.gz YNKBUOTUVCESCH-LLVKDONJSA-N 1 0 217.740 2.487 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](COC)C(C)C)c1 ZINC000834903829 587769998 /nfs/dbraw/zinc/76/99/98/587769998.db2.gz UAGWUEPEFFJRFA-HNNXBMFYSA-N 1 0 231.339 2.429 20 30 BEEDRO C#Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000834903796 587770114 /nfs/dbraw/zinc/77/01/14/587770114.db2.gz SEWKYGMAPLXOIZ-SWLSCSKDSA-N 1 0 229.323 2.325 20 30 BEEDRO CC(=[NH+]n1cnnc1)[C@@H]1CCCC[C@H]1C ZINC000834912281 587770183 /nfs/dbraw/zinc/77/01/83/587770183.db2.gz NHUQEWWSNIDMLJ-MWLCHTKSSA-N 1 0 206.293 2.328 20 30 BEEDRO CON=C[C@@](C)(C[NH+](C)C)c1ccccc1 ZINC000834938805 587771776 /nfs/dbraw/zinc/77/17/76/587771776.db2.gz QVKUCOOPWPZLHQ-ZDUSSCGKSA-N 1 0 220.316 2.138 20 30 BEEDRO CC(C)CC[C@@H]1CCC(N=NC(N)=[NH2+])C1 ZINC000834939346 587771968 /nfs/dbraw/zinc/77/19/68/587771968.db2.gz ZKJSUTYERBQFMM-SECBINFHSA-N 1 0 210.325 2.062 20 30 BEEDRO Cc1cc[nH+]c(NNC=C2CC2(F)F)c1 ZINC000834965078 587773132 /nfs/dbraw/zinc/77/31/32/587773132.db2.gz UXXNKLPIJMSHGU-MRVPVSSYSA-N 1 0 211.215 2.443 20 30 BEEDRO CC[C@H](C)N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834973213 587774833 /nfs/dbraw/zinc/77/48/33/587774833.db2.gz NECGXIFSEVQAHC-VIFPVBQESA-N 1 0 232.331 2.092 20 30 BEEDRO Nc1ccc2c(n1)CCCC2=NOC1CCC1 ZINC000834979911 587775495 /nfs/dbraw/zinc/77/54/95/587775495.db2.gz SOGBVHJPXJFTPF-UHFFFAOYSA-N 1 0 231.299 2.273 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCC)C(C)(C)C ZINC000836820327 587838623 /nfs/dbraw/zinc/83/86/23/587838623.db2.gz XEEBAEMXRCHODH-LBPRGKRZSA-N 1 0 240.391 2.435 20 30 BEEDRO C=CC(C)(C)C(=O)OCCC[NH+]1CCCC1 ZINC000837861645 587900575 /nfs/dbraw/zinc/90/05/75/587900575.db2.gz DUJDYLMVAHALIP-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840944901 587931195 /nfs/dbraw/zinc/93/11/95/587931195.db2.gz KCJXTSYNMIERED-SECBINFHSA-N 1 0 223.703 2.465 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000840945044 587931365 /nfs/dbraw/zinc/93/13/65/587931365.db2.gz WLLJBPDMDKHDJX-QMMMGPOBSA-N 1 0 239.221 2.119 20 30 BEEDRO C=CCONC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000841310296 587951079 /nfs/dbraw/zinc/95/10/79/587951079.db2.gz LMSVZAYMCPSJKP-UHFFFAOYSA-N 1 0 249.314 2.035 20 30 BEEDRO CCC(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)[C@@H]1C[C@H]1C ZINC000841634257 587963479 /nfs/dbraw/zinc/96/34/79/587963479.db2.gz WVHRGRWMMZJWIS-WFFHOREQSA-N 1 0 248.374 2.268 20 30 BEEDRO COCCCN[NH+]=Cc1ccc(N(C)C)cc1C ZINC000841636344 587963916 /nfs/dbraw/zinc/96/39/16/587963916.db2.gz MEMKCBPFLKNNDJ-UHFFFAOYSA-N 1 0 249.358 2.021 20 30 BEEDRO CCCCCCC[NH2+]Cc1cnnn1CC ZINC000841854188 587978587 /nfs/dbraw/zinc/97/85/87/587978587.db2.gz MFRMXKWFUWJWLJ-UHFFFAOYSA-N 1 0 224.352 2.358 20 30 BEEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CC1(C#N)CCC1 ZINC000841899665 587980954 /nfs/dbraw/zinc/98/09/54/587980954.db2.gz XQXVKEVWZHEBNT-RYUDHWBXSA-N 1 0 222.332 2.085 20 30 BEEDRO C=CCCCCCCCNC(=O)NC[C@@H](C)[NH3+] ZINC000841903851 587982583 /nfs/dbraw/zinc/98/25/83/587982583.db2.gz BHULCGQQPMBQLI-GFCCVEGCSA-N 1 0 241.379 2.159 20 30 BEEDRO C=CCCCCCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000841902415 587982630 /nfs/dbraw/zinc/98/26/30/587982630.db2.gz ARBJVMHCJMCKCJ-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CC1(C#N)CCC1 ZINC000841899651 587982683 /nfs/dbraw/zinc/98/26/83/587982683.db2.gz XQXVKEVWZHEBNT-NEPJUHHUSA-N 1 0 222.332 2.085 20 30 BEEDRO CCCCCCCCCN(C)C(=O)NCC[NH3+] ZINC000841920353 587985477 /nfs/dbraw/zinc/98/54/77/587985477.db2.gz GMHWURZMJOXBAP-UHFFFAOYSA-N 1 0 243.395 2.337 20 30 BEEDRO CC[C@H]1CCCC[C@H]1C=[NH+]n1cnnc1 ZINC000842523141 588032585 /nfs/dbraw/zinc/03/25/85/588032585.db2.gz VELOWIQKTLLCGR-QWRGUYRKSA-N 1 0 206.293 2.328 20 30 BEEDRO CCN(C)c1ccc(C=[NH+]NC23CC(C2)C3)cn1 ZINC000842547731 588041028 /nfs/dbraw/zinc/04/10/28/588041028.db2.gz VVFMYHLFIBTQFE-UHFFFAOYSA-N 1 0 244.342 2.014 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cn2cccnc2=S)C1 ZINC000842630186 588046639 /nfs/dbraw/zinc/04/66/39/588046639.db2.gz ZKOOMIAORVKEDZ-GFCCVEGCSA-N 1 0 247.367 2.305 20 30 BEEDRO C=CCC(C)(C)c1noc([C@]2(C)CC[NH2+]C2)n1 ZINC000843234859 588094960 /nfs/dbraw/zinc/09/49/60/588094960.db2.gz KVQTZEVDOUAGDY-CYBMUJFWSA-N 1 0 235.331 2.174 20 30 BEEDRO C=CCC(C)(C)c1noc([C@]2(F)CC[NH2+]C2)n1 ZINC000843235602 588095100 /nfs/dbraw/zinc/09/51/00/588095100.db2.gz SNQWCHLYUNXPLZ-LBPRGKRZSA-N 1 0 239.294 2.081 20 30 BEEDRO C=CCCc1noc(C[C@@H](C)[C@@H]2CCC[NH2+]C2)n1 ZINC000843237747 588095234 /nfs/dbraw/zinc/09/52/34/588095234.db2.gz FKVPHTKDEDGYBT-VXGBXAGGSA-N 1 0 249.358 2.366 20 30 BEEDRO C=CCCc1noc(CCC2CC[NH2+]CC2)n1 ZINC000843238745 588095530 /nfs/dbraw/zinc/09/55/30/588095530.db2.gz XMFHCHJLQOSWLT-UHFFFAOYSA-N 1 0 235.331 2.120 20 30 BEEDRO CCCCCCCN1CC[NH2+]C[C@H]1C(F)F ZINC000843385770 588105453 /nfs/dbraw/zinc/10/54/53/588105453.db2.gz RIHXHMPVANGWKG-NSHDSACASA-N 1 0 234.334 2.496 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2c(C)n[nH]c2C)C1 ZINC000843423686 588108000 /nfs/dbraw/zinc/10/80/00/588108000.db2.gz IDYOBQIEIIGFLD-CYBMUJFWSA-N 1 0 231.343 2.262 20 30 BEEDRO C#CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000843428782 588108888 /nfs/dbraw/zinc/10/88/88/588108888.db2.gz NYVXJPFEYHWYQJ-UHFFFAOYSA-N 1 0 249.383 2.054 20 30 BEEDRO C=C[C@@H](C)ON=C1CCC[C@@H]([NH+](C)C)C1 ZINC000844624282 588210648 /nfs/dbraw/zinc/21/06/48/588210648.db2.gz HVDGXRRQCQXAMG-ZYHUDNBSSA-N 1 0 210.321 2.438 20 30 BEEDRO C=CCCCC(=O)N1[C@H](C)C[N@H+](C)[C@H](C)[C@H]1C ZINC000844642200 588211818 /nfs/dbraw/zinc/21/18/18/588211818.db2.gz HXRUUUZKJAQBTD-JHJVBQTASA-N 1 0 238.375 2.282 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCC[S@](C)=O)C1 ZINC000845942282 588250926 /nfs/dbraw/zinc/25/09/26/588250926.db2.gz QMEXQXRBRROCHG-JMSVASOKSA-N 1 0 229.389 2.089 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@H](CCO)C2CC2)C1 ZINC000845939899 588251078 /nfs/dbraw/zinc/25/10/78/588251078.db2.gz TZCSPLKIFNLLIG-MRVWCRGKSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCc2cnccn2)C1 ZINC000845949246 588251249 /nfs/dbraw/zinc/25/12/49/588251249.db2.gz OCGNKOISFAAKOL-QWHCGFSZSA-N 1 0 231.343 2.354 20 30 BEEDRO CC[N@@H+]1CC[C@H](NCC2(C#N)CCCC2)[C@@H](C)C1 ZINC000846011770 588253540 /nfs/dbraw/zinc/25/35/40/588253540.db2.gz ZBMNSWXDQFJBBN-KBPBESRZSA-N 1 0 249.402 2.390 20 30 BEEDRO C#CCN(C)CCC[NH2+][C@H]1CC[C@@H](CC=C)C1 ZINC000846172605 588259275 /nfs/dbraw/zinc/25/92/75/588259275.db2.gz ZNYCSTGQTYAYLO-CABCVRRESA-N 1 0 234.387 2.276 20 30 BEEDRO C#CC(C)(C)[N@H+](C)Cc1ccc2nonc2c1 ZINC000846873607 588294847 /nfs/dbraw/zinc/29/48/47/588294847.db2.gz CXUVTBHAOCKUOD-UHFFFAOYSA-N 1 0 229.283 2.066 20 30 BEEDRO N#CCCCCC(=O)Nc1cccc2nccn21 ZINC000846890407 588295674 /nfs/dbraw/zinc/29/56/74/588295674.db2.gz SFVXMIOMAJNSOQ-UHFFFAOYSA-N 1 0 242.282 2.357 20 30 BEEDRO CC[C@@H](CC#N)[NH2+]C[C@](C)(O)c1ccccc1 ZINC000846996298 588301127 /nfs/dbraw/zinc/30/11/27/588301127.db2.gz WGKFEFPVGBXBMF-KBPBESRZSA-N 1 0 232.327 2.176 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2oc(CC)nc2C)C1 ZINC000847018479 588301916 /nfs/dbraw/zinc/30/19/16/588301916.db2.gz KIMPTKSRLLUJOK-LBPRGKRZSA-N 1 0 232.327 2.391 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000847019450 588302028 /nfs/dbraw/zinc/30/20/28/588302028.db2.gz QMAFIGOOSVCIPH-LBPRGKRZSA-N 1 0 218.300 2.137 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2oc(C)nc2C)C1 ZINC000847019572 588302311 /nfs/dbraw/zinc/30/23/11/588302311.db2.gz RRDAVVGCPJWWCZ-LBPRGKRZSA-N 1 0 218.300 2.137 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCC(F)(F)F)C1 ZINC000847019531 588302401 /nfs/dbraw/zinc/30/24/01/588302401.db2.gz RCMZFWXCLWZHIT-SECBINFHSA-N 1 0 205.223 2.284 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](CCc2c(C)noc2C)C1 ZINC000847021350 588302550 /nfs/dbraw/zinc/30/25/50/588302550.db2.gz JUVQSOOLCKCRIS-ZDUSSCGKSA-N 1 0 232.327 2.179 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000847022094 588302895 /nfs/dbraw/zinc/30/28/95/588302895.db2.gz SCEDHSWASOBQCC-OAHLLOKOSA-N 1 0 234.387 2.208 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2ccccn2)C1 ZINC000847021018 588302937 /nfs/dbraw/zinc/30/29/37/588302937.db2.gz HPIXKNJFGGOVMK-CHWSQXEVSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)c2cccnc2)C1 ZINC000847025113 588303566 /nfs/dbraw/zinc/30/35/66/588303566.db2.gz VDZGHLDKAGIVRY-CHWSQXEVSA-N 1 0 214.312 2.488 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC000847032979 588304387 /nfs/dbraw/zinc/30/43/87/588304387.db2.gz ZMCBCWQSSWITDL-WFASDCNBSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CCCCC(=O)OC[C@@H](C)[NH+]1CCCCC1 ZINC000847964005 588345866 /nfs/dbraw/zinc/34/58/66/588345866.db2.gz VQIULXGKGNGNKB-CYBMUJFWSA-N 1 0 237.343 2.208 20 30 BEEDRO CCCCCCCCCNC(=O)[C@H](C)[NH2+]C ZINC000848397275 588377161 /nfs/dbraw/zinc/37/71/61/588377161.db2.gz YHONLNQLCWVDHR-LBPRGKRZSA-N 1 0 228.380 2.461 20 30 BEEDRO C(ON=C1CCC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000848409521 588379559 /nfs/dbraw/zinc/37/95/59/588379559.db2.gz BECJMMYVJBXEJR-ZDUSSCGKSA-N 1 0 222.332 2.417 20 30 BEEDRO CC(C)ON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848412668 588380451 /nfs/dbraw/zinc/38/04/51/588380451.db2.gz YQSTZSCXJISJPG-LBPRGKRZSA-N 1 0 210.321 2.416 20 30 BEEDRO CCCON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848412832 588381094 /nfs/dbraw/zinc/38/10/94/588381094.db2.gz DAJYGMGTILBRBX-LBPRGKRZSA-N 1 0 210.321 2.417 20 30 BEEDRO C=CC[C@H](C)[NH2+]Cc1cnc(Cl)n1C ZINC000848538273 588394199 /nfs/dbraw/zinc/39/41/99/588394199.db2.gz WJZPAFSZJDQPBI-QMMMGPOBSA-N 1 0 213.712 2.128 20 30 BEEDRO C=C(Br)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000107800757 588409579 /nfs/dbraw/zinc/40/95/79/588409579.db2.gz BOXJJFURVULVCH-JTQLQIEISA-N 1 0 248.164 2.253 20 30 BEEDRO C=C[C@H](C)[NH2+]Cc1ccc(/C=C/C(=O)OC)o1 ZINC000848898860 588418050 /nfs/dbraw/zinc/41/80/50/588418050.db2.gz HZOIJHKXEXVUIT-JARNTUPDSA-N 1 0 235.283 2.130 20 30 BEEDRO C=CCC[N@@H+](C)Cc1ccc(/C=C\C(=O)OC)o1 ZINC000848905185 588418632 /nfs/dbraw/zinc/41/86/32/588418632.db2.gz IEGQQSGLRWJLBG-HJWRWDBZSA-N 1 0 249.310 2.474 20 30 BEEDRO CCc1cccc(C[NH2+]CC2(C#N)CC2)c1O ZINC000848908633 588419590 /nfs/dbraw/zinc/41/95/90/588419590.db2.gz ZFPLZENIWMKMPP-UHFFFAOYSA-N 1 0 230.311 2.348 20 30 BEEDRO C#C[C@H]1CCC[N@@H+](Cc2cncn2C(C)C)C1 ZINC000848923406 588421279 /nfs/dbraw/zinc/42/12/79/588421279.db2.gz DJFYXBQWZFSAOK-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2ccccc2O)C1 ZINC000848923159 588421377 /nfs/dbraw/zinc/42/13/77/588421377.db2.gz ACRCFZBOZQLXIN-GFCCVEGCSA-N 1 0 215.296 2.237 20 30 BEEDRO CNC(NCCCc1ccc(C)cc1C)=[NH+]C ZINC000848982725 588424535 /nfs/dbraw/zinc/42/45/35/588424535.db2.gz GWPHCVVUCPUEJC-UHFFFAOYSA-N 1 0 233.359 2.031 20 30 BEEDRO CCNC(NC[C@H]1CCCC(F)(F)C1)=[NH+]CC ZINC000848987364 588426530 /nfs/dbraw/zinc/42/65/30/588426530.db2.gz RVSZRTHXZDCOGC-JTQLQIEISA-N 1 0 247.333 2.387 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cc(C)ccc1OC ZINC000848993192 588427716 /nfs/dbraw/zinc/42/77/16/588427716.db2.gz FYKBDLXGGZIKST-UHFFFAOYSA-N 1 0 247.342 2.194 20 30 BEEDRO CCNC(NCc1cc(C)ccc1OC)=[NH+]CC ZINC000848993209 588427719 /nfs/dbraw/zinc/42/77/19/588427719.db2.gz IYGZZHFGSKTJNN-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO CCNC(NCc1ccc(OC)cc1C)=[NH+]CC ZINC000848995953 588429107 /nfs/dbraw/zinc/42/91/07/588429107.db2.gz QVLSWLBUJGMDFY-UHFFFAOYSA-N 1 0 249.358 2.079 20 30 BEEDRO CNC(NCCC(C)(C)c1ccccc1)=[NH+]C ZINC000848997751 588429857 /nfs/dbraw/zinc/42/98/57/588429857.db2.gz FHAHXVYTMCLAFJ-UHFFFAOYSA-N 1 0 233.359 2.149 20 30 BEEDRO CN1CC[NH+]=C1NCCC(C)(C)c1ccccc1 ZINC000848997830 588429960 /nfs/dbraw/zinc/42/99/60/588429960.db2.gz MQYVQRGZALQYEA-UHFFFAOYSA-N 1 0 245.370 2.245 20 30 BEEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](C)C#N)cc1C ZINC000849003795 588431824 /nfs/dbraw/zinc/43/18/24/588431824.db2.gz GPLOMKDIICPKAI-VIFPVBQESA-N 1 0 230.315 2.399 20 30 BEEDRO C[NH+]=C(NCCCC1CC1)NCc1ccco1 ZINC000849009834 588434402 /nfs/dbraw/zinc/43/44/02/588434402.db2.gz WOXYJHCXEPXQFF-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO C#CCSCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000849009703 588434455 /nfs/dbraw/zinc/43/44/55/588434455.db2.gz YXWOLUIPTXWZSQ-UHFFFAOYSA-N 1 0 247.367 2.298 20 30 BEEDRO C=CCNC(=[NH2+])N[C@H]1C[C@@]1(C)c1ccccc1 ZINC000849010215 588434747 /nfs/dbraw/zinc/43/47/47/588434747.db2.gz JVTJWJPFNLFVPF-JSGCOSHPSA-N 1 0 229.327 2.017 20 30 BEEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000849010655 588434893 /nfs/dbraw/zinc/43/48/93/588434893.db2.gz WAWRYVBXMCEGOE-CHWSQXEVSA-N 1 0 235.375 2.283 20 30 BEEDRO CC(C)(C#N)CNC(=[NH2+])Nc1ccccc1 ZINC000849017188 588437458 /nfs/dbraw/zinc/43/74/58/588437458.db2.gz JYAODPNRBDUHEP-UHFFFAOYSA-N 1 0 216.288 2.173 20 30 BEEDRO C=CCCCCNC(NCc1ccco1)=[NH+]C ZINC000849019699 588437993 /nfs/dbraw/zinc/43/79/93/588437993.db2.gz AJZPRPGYFZAHIO-UHFFFAOYSA-N 1 0 235.331 2.301 20 30 BEEDRO CNC(NCC(C)(C)C1=CCCCC1)=[NH+]C ZINC000849020236 588438518 /nfs/dbraw/zinc/43/85/18/588438518.db2.gz FERQPNBPQOZQEN-UHFFFAOYSA-N 1 0 223.364 2.308 20 30 BEEDRO CCCCCCCCNC(=[NH2+])NCCC#N ZINC000849023312 588439568 /nfs/dbraw/zinc/43/95/68/588439568.db2.gz IFXOJZQWKOESMO-UHFFFAOYSA-N 1 0 224.352 2.375 20 30 BEEDRO N#CCCNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000849023247 588439616 /nfs/dbraw/zinc/43/96/16/588439616.db2.gz BKLUAPFOOJHYSI-UHFFFAOYSA-N 1 0 242.326 2.415 20 30 BEEDRO C[NH+]=C(NCCC1(C)CC1)NCc1ccco1 ZINC000849024655 588439752 /nfs/dbraw/zinc/43/97/52/588439752.db2.gz XOFHAPRSEAAYLY-UHFFFAOYSA-N 1 0 235.331 2.135 20 30 BEEDRO C[NH+]=C(NCCCc1ccccc1F)NC1CC1 ZINC000849025270 588440175 /nfs/dbraw/zinc/44/01/75/588440175.db2.gz WSILNDOJJDUNFK-UHFFFAOYSA-N 1 0 249.333 2.086 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)CCC#N ZINC000849028331 588441655 /nfs/dbraw/zinc/44/16/55/588441655.db2.gz HRRUWSHZUMJRGI-UHFFFAOYSA-N 1 0 222.336 2.006 20 30 BEEDRO CC(C)(CCC#N)CNC(=[NH2+])NCC1CCC1 ZINC000849028678 588441827 /nfs/dbraw/zinc/44/18/27/588441827.db2.gz VHTNULGQYKOMRJ-UHFFFAOYSA-N 1 0 236.363 2.230 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])N(C)C1CC1 ZINC000849030187 588442163 /nfs/dbraw/zinc/44/21/63/588442163.db2.gz CTHYDGLKBPXAEV-UHFFFAOYSA-N 1 0 209.337 2.207 20 30 BEEDRO CNC(NCC1(c2ccc(C)cc2C)CC1)=[NH+]C ZINC000849031844 588443028 /nfs/dbraw/zinc/44/30/28/588443028.db2.gz GXJHCYUQQBPKPD-UHFFFAOYSA-N 1 0 245.370 2.130 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CSc2ccccc21 ZINC000849032221 588443616 /nfs/dbraw/zinc/44/36/16/588443616.db2.gz IAPVYINJQFIHFF-SNVBAGLBSA-N 1 0 247.367 2.176 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCC1(C)C ZINC000849033110 588443928 /nfs/dbraw/zinc/44/39/28/588443928.db2.gz SJLCSHRCINQRJX-JTQLQIEISA-N 1 0 209.337 2.113 20 30 BEEDRO C=CCNC(=[NH2+])NCC[C@H]1CCc2ccccc21 ZINC000849034496 588444183 /nfs/dbraw/zinc/44/41/83/588444183.db2.gz WNMPIUHFZSZYAK-CYBMUJFWSA-N 1 0 243.354 2.406 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)C1CCC1 ZINC000849037224 588445893 /nfs/dbraw/zinc/44/58/93/588445893.db2.gz VLENJEJLULGGMP-UHFFFAOYSA-N 1 0 209.337 2.113 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCc1cc(C)ccc1F ZINC000849037462 588445949 /nfs/dbraw/zinc/44/59/49/588445949.db2.gz HXGVUTBCYSZZEE-UHFFFAOYSA-N 1 0 249.333 2.367 20 30 BEEDRO C=C(CC)CNC(=[NH2+])N1CCCCCC1 ZINC000849038427 588446240 /nfs/dbraw/zinc/44/62/40/588446240.db2.gz QNISELKVRSXXOB-UHFFFAOYSA-N 1 0 209.337 2.353 20 30 BEEDRO CCC[C@@H]1CCCC[C@H]1CNC(NC)=[NH+]C ZINC000849038306 588446320 /nfs/dbraw/zinc/44/63/20/588446320.db2.gz MVFBWEMNIHGQHZ-NEPJUHHUSA-N 1 0 225.380 2.388 20 30 BEEDRO C=C(CC)CNC(=[NH2+])NCCc1ccccc1 ZINC000849038110 588446527 /nfs/dbraw/zinc/44/65/27/588446527.db2.gz JNIVSWFTTKWFOF-UHFFFAOYSA-N 1 0 231.343 2.309 20 30 BEEDRO C#Cc1cccc(CNC(=[NH2+])N2CCCCC2)c1 ZINC000849038017 588446539 /nfs/dbraw/zinc/44/65/39/588446539.db2.gz HHVKAKKJLIHWJY-UHFFFAOYSA-N 1 0 241.338 2.178 20 30 BEEDRO C=CCNC(=[NH2+])NCC(C)(C)C1=CCCC1 ZINC000849039017 588446891 /nfs/dbraw/zinc/44/68/91/588446891.db2.gz DBJTWRXZAUPXRM-UHFFFAOYSA-N 1 0 221.348 2.423 20 30 BEEDRO CN(C)C(NCc1ccccc1)=[NH+][C@H]1CC1(C)C ZINC000849041993 588448377 /nfs/dbraw/zinc/44/83/77/588448377.db2.gz TVYBWSUXBADTIT-ZDUSSCGKSA-N 1 0 245.370 2.492 20 30 BEEDRO CN(C)C(=[NH+]C[C@@H]1CC2CCC1CC2)N(C)C ZINC000849044756 588449444 /nfs/dbraw/zinc/44/94/44/588449444.db2.gz FFNWUPUYKLIIAU-BPCQOVAHSA-N 1 0 237.391 2.292 20 30 BEEDRO C#C[C@@H](NC(=[NH2+])N[C@@H](C)CC)c1ccccc1 ZINC000849045266 588449488 /nfs/dbraw/zinc/44/94/88/588449488.db2.gz HARAGCMGEGHZAG-WCQYABFASA-N 1 0 229.327 2.273 20 30 BEEDRO C=CCNC(=[NH2+])NC[C@H]1CC2CCC1CC2 ZINC000849044979 588449644 /nfs/dbraw/zinc/44/96/44/588449644.db2.gz OMBUTJVTSGWNDI-HTAVTVPLSA-N 1 0 221.348 2.113 20 30 BEEDRO CCN(CC)C(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849044967 588449703 /nfs/dbraw/zinc/44/97/03/588449703.db2.gz NUQKHQRMWFNGIU-UHFFFAOYSA-N 1 0 244.342 2.119 20 30 BEEDRO C#C[C@H](NC(=[NH2+])NC(C)(C)C)c1ccccc1 ZINC000849045725 588449752 /nfs/dbraw/zinc/44/97/52/588449752.db2.gz OUJNXWWTWIGZSQ-LBPRGKRZSA-N 1 0 229.327 2.273 20 30 BEEDRO N#CC1(CNC(=[NH2+])N2CCCCCC2)CCCC1 ZINC000849047312 588450526 /nfs/dbraw/zinc/45/05/26/588450526.db2.gz UQTFPJAGGUYWGC-UHFFFAOYSA-N 1 0 248.374 2.471 20 30 BEEDRO C=CCCCCCNC(NC1CC1)=[NH+]C ZINC000849049785 588451748 /nfs/dbraw/zinc/45/17/48/588451748.db2.gz RPUPVDYKAVYFFN-UHFFFAOYSA-N 1 0 209.337 2.060 20 30 BEEDRO C=CCCCCCNC(=[NH2+])N1CCSCC1 ZINC000849049830 588451903 /nfs/dbraw/zinc/45/19/03/588451903.db2.gz TZIXFLILJRFKMQ-UHFFFAOYSA-N 1 0 241.404 2.306 20 30 BEEDRO C=CCNC(=[NH2+])NCc1ccccc1OCC=C ZINC000849078277 588452329 /nfs/dbraw/zinc/45/23/29/588452329.db2.gz ZJBRTOMUYCIKHC-UHFFFAOYSA-N 1 0 245.326 2.051 20 30 BEEDRO CCNC(NCCC1(CSC)CC1)=[NH+]CC ZINC000849214956 588461761 /nfs/dbraw/zinc/46/17/61/588461761.db2.gz FNIWEEZPUPKKFH-UHFFFAOYSA-N 1 0 243.420 2.095 20 30 BEEDRO CCNC(NCC1(C#N)CCCCC1)=[NH+]CC ZINC000849215072 588461795 /nfs/dbraw/zinc/46/17/95/588461795.db2.gz LSICMRYZFLJCPR-UHFFFAOYSA-N 1 0 236.363 2.035 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnn1CC1CC1 ZINC000850185339 588525281 /nfs/dbraw/zinc/52/52/81/588525281.db2.gz DPPIXUCKDMSUGB-UHFFFAOYSA-N 1 0 231.343 2.186 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCCOCC=C)cc1 ZINC000850377948 588542026 /nfs/dbraw/zinc/54/20/26/588542026.db2.gz PPZPLNNBLJGMDG-UHFFFAOYSA-N 1 0 229.323 2.350 20 30 BEEDRO C=CCOCCC[NH2+]Cc1ccc(Cl)nc1 ZINC000850378111 588542252 /nfs/dbraw/zinc/54/22/52/588542252.db2.gz RUGWARLSJHULSP-UHFFFAOYSA-N 1 0 240.734 2.417 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)cc1 ZINC000850389546 588543015 /nfs/dbraw/zinc/54/30/15/588543015.db2.gz ZKWZMGXAXTZUAO-CABCVRRESA-N 1 0 241.334 2.061 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)cc1 ZINC000850389547 588543526 /nfs/dbraw/zinc/54/35/26/588543526.db2.gz ZKWZMGXAXTZUAO-GJZGRUSLSA-N 1 0 241.334 2.061 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]Cc2ncccn2)C1 ZINC000850394021 588543848 /nfs/dbraw/zinc/54/38/48/588543848.db2.gz IVKNTHABDCMWAX-VXGBXAGGSA-N 1 0 217.316 2.311 20 30 BEEDRO C#CC[NH2+][C@H](C)c1cc2cnccc2o1 ZINC000850421805 588545615 /nfs/dbraw/zinc/54/56/15/588545615.db2.gz ZINKFUZIVBRULG-SECBINFHSA-N 1 0 200.241 2.112 20 30 BEEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC[S@](=O)CC ZINC000850434739 588546129 /nfs/dbraw/zinc/54/61/29/588546129.db2.gz WZVKBOVCGBKVAN-XJKCOSOUSA-N 1 0 243.416 2.480 20 30 BEEDRO C#CCCCC[NH2+][C@H]1CCCn2nccc21 ZINC000850444455 588547049 /nfs/dbraw/zinc/54/70/49/588547049.db2.gz JUMNQTPRSYNYQT-LBPRGKRZSA-N 1 0 217.316 2.111 20 30 BEEDRO C=C[C@H](C)[NH2+]C1CCC(NC(=O)OCC)CC1 ZINC000850441299 588547130 /nfs/dbraw/zinc/54/71/30/588547130.db2.gz UQDJQXHIDJONRM-UNXYVOJBSA-N 1 0 240.347 2.208 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)CSCCF ZINC000850443287 588547181 /nfs/dbraw/zinc/54/71/81/588547181.db2.gz KXKXMDJPSMNBNP-QMMMGPOBSA-N 1 0 211.733 2.420 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000850459923 588547910 /nfs/dbraw/zinc/54/79/10/588547910.db2.gz KEGANIKTQUKGEK-UONOGXRCSA-N 1 0 221.344 2.361 20 30 BEEDRO C=CCCCC[C@H](C)[NH2+]CCN(C)OC ZINC000850478299 588549927 /nfs/dbraw/zinc/54/99/27/588549927.db2.gz RKWWCFJHGNROID-LBPRGKRZSA-N 1 0 214.353 2.204 20 30 BEEDRO C=CCCSCC[NH2+][C@@H](C)c1ncc[nH]1 ZINC000850501846 588552643 /nfs/dbraw/zinc/55/26/43/588552643.db2.gz HABYVEPKJKPIRJ-JTQLQIEISA-N 1 0 225.361 2.370 20 30 BEEDRO C#CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CC)cc1 ZINC000850531275 588557889 /nfs/dbraw/zinc/55/78/89/588557889.db2.gz IFPNUWYXOVNSIG-GXTWGEPZSA-N 1 0 247.338 2.120 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1CCC(=O)N1 ZINC000850548202 588559812 /nfs/dbraw/zinc/55/98/12/588559812.db2.gz YWYBEIOQWKJCGA-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCC2SCCS2)C1 ZINC000850568652 588561154 /nfs/dbraw/zinc/56/11/54/588561154.db2.gz DXFULTLXJXXYHC-NXEZZACHSA-N 1 0 242.413 2.464 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]CCC2SCCS2)C1 ZINC000850568653 588561238 /nfs/dbraw/zinc/56/12/38/588561238.db2.gz DXFULTLXJXXYHC-UWVGGRQHSA-N 1 0 242.413 2.464 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H](C)c1ccc(OC)cc1 ZINC000851712716 588615725 /nfs/dbraw/zinc/61/57/25/588615725.db2.gz SEPCTZZFPWBMOP-ZDUSSCGKSA-N 1 0 247.338 2.338 20 30 BEEDRO C#CCOCC[N@@H+](CC=C)Cc1ccccc1 ZINC000851713882 588615755 /nfs/dbraw/zinc/61/57/55/588615755.db2.gz CIVOIKUGSACNEZ-UHFFFAOYSA-N 1 0 229.323 2.324 20 30 BEEDRO C#CCOCC[N@@H+]1Cc2ccccc2[C@H](C)C1 ZINC000851720597 588617259 /nfs/dbraw/zinc/61/72/59/588617259.db2.gz OKHNOKDXJUCVFD-CYBMUJFWSA-N 1 0 229.323 2.256 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000851727554 588618749 /nfs/dbraw/zinc/61/87/49/588618749.db2.gz QSPOBHHAEIDJPG-STQMWFEESA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@@H+](CC)Cc1ccc(OC)cc1 ZINC000851729787 588619047 /nfs/dbraw/zinc/61/90/47/588619047.db2.gz HGLDRJDXKPBRLY-UHFFFAOYSA-N 1 0 247.338 2.167 20 30 BEEDRO C=CC[N@H+](C[C@@H]1COC(C)(C)O1)C(C)C ZINC000851731514 588619668 /nfs/dbraw/zinc/61/96/68/588619668.db2.gz SNXFEFWRZBBAJV-LLVKDONJSA-N 1 0 213.321 2.034 20 30 BEEDRO C#CCOCC[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000851773443 588625856 /nfs/dbraw/zinc/62/58/56/588625856.db2.gz VGCXSQDIRJTKQZ-HNNXBMFYSA-N 1 0 233.355 2.459 20 30 BEEDRO C#CCOCC[N@H+]1CCC[C@H](CC)CC1 ZINC000851776104 588626484 /nfs/dbraw/zinc/62/64/84/588626484.db2.gz GSUYGSRYSWNPQL-ZDUSSCGKSA-N 1 0 209.333 2.148 20 30 BEEDRO C#CCOCC[N@@H+]1CCc2cccc(F)c2[C@H]1C ZINC000851779362 588626714 /nfs/dbraw/zinc/62/67/14/588626714.db2.gz SMDXZUNVIBHIFC-GFCCVEGCSA-N 1 0 247.313 2.395 20 30 BEEDRO C#CCOCC[N@H+]1C[C@H](C)[C@H]1c1ccccc1 ZINC000851800718 588630761 /nfs/dbraw/zinc/63/07/61/588630761.db2.gz PHZDJAOWDNDPHA-ZFWWWQNUSA-N 1 0 229.323 2.329 20 30 BEEDRO C#CCCN1CC[NH+](C[C@@H]2CCCC[C@H]2C)CC1 ZINC000851872701 588637549 /nfs/dbraw/zinc/63/75/49/588637549.db2.gz JKSBAHNAGQUJMH-CVEARBPZSA-N 1 0 248.414 2.454 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@H](CC)c1ccncc1 ZINC000851878445 588639111 /nfs/dbraw/zinc/63/91/11/588639111.db2.gz LCMGHCYAKKLIRZ-CQSZACIVSA-N 1 0 232.327 2.114 20 30 BEEDRO C=CC[N@@H+](CC[C@H]1COC(C)(C)O1)C1CC1 ZINC000851890690 588640770 /nfs/dbraw/zinc/64/07/70/588640770.db2.gz DSJIAHPGGCBLGX-LBPRGKRZSA-N 1 0 225.332 2.178 20 30 BEEDRO C=CC[N@H+](CCc1ccco1)C[C@@H]1CCC(=O)O1 ZINC000851913079 588643411 /nfs/dbraw/zinc/64/34/11/588643411.db2.gz UOWMXIQDLIWDGY-ZDUSSCGKSA-N 1 0 249.310 2.016 20 30 BEEDRO C#CCOCC[N@H+]1C[C@@H](C)CC(C)(C)C1 ZINC000851923820 588644317 /nfs/dbraw/zinc/64/43/17/588644317.db2.gz XLMHXALSOJVQSP-LBPRGKRZSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CCOCC[N@H+]1Cc2ccccc2C[C@H]1CC ZINC000851941779 588646265 /nfs/dbraw/zinc/64/62/65/588646265.db2.gz NBZXNAMQRBXYMK-MRXNPFEDSA-N 1 0 243.350 2.473 20 30 BEEDRO C#C[C@H]([NH2+]C[C@H](CC)CC(F)F)[C@@H]1CCCO1 ZINC000851951488 588647558 /nfs/dbraw/zinc/64/75/58/588647558.db2.gz XHBFSJDBLGVKGZ-WOPDTQHZSA-N 1 0 245.313 2.438 20 30 BEEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@H]1SCC ZINC000851952268 588647661 /nfs/dbraw/zinc/64/76/61/588647661.db2.gz KBWMZWUIVJPUAU-CHWSQXEVSA-N 1 0 241.400 2.290 20 30 BEEDRO C#CCOCC[N@@H+](C)CC1(c2ccccc2)CC1 ZINC000851965494 588648240 /nfs/dbraw/zinc/64/82/40/588648240.db2.gz ROUUSSCSKPYZSG-UHFFFAOYSA-N 1 0 243.350 2.300 20 30 BEEDRO C#CCOCC[N@@H+](C)[C@@H]1CCCC[C@@H]1C ZINC000851966704 588648753 /nfs/dbraw/zinc/64/87/53/588648753.db2.gz RGNUETDOJYQWJP-QWHCGFSZSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C ZINC000851977238 588650667 /nfs/dbraw/zinc/65/06/67/588650667.db2.gz UUWFOBDGQWWSBU-AGIUHOORSA-N 1 0 209.333 2.003 20 30 BEEDRO C=C[C@H]1CCCC[N@H+]1CCC(OC)OC ZINC000851995464 588653624 /nfs/dbraw/zinc/65/36/24/588653624.db2.gz QGWWBBTZMULNGD-NSHDSACASA-N 1 0 213.321 2.036 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]CCOc1cccc(C#N)c1 ZINC000852099791 588662621 /nfs/dbraw/zinc/66/26/21/588662621.db2.gz QFEVBKGMZUGZJU-HNNXBMFYSA-N 1 0 242.322 2.329 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc(OCC)cn1 ZINC000852100961 588663196 /nfs/dbraw/zinc/66/31/96/588663196.db2.gz BWJFJSIJIQSNED-AWEZNQCLSA-N 1 0 232.327 2.372 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C1CCCCC1 ZINC000852103347 588663491 /nfs/dbraw/zinc/66/34/91/588663491.db2.gz FGOHYVFGGHGVDP-KGLIPLIRSA-N 1 0 223.360 2.319 20 30 BEEDRO C#C[C@@](C)(CC)[NH2+]Cc1ccc2nonc2c1 ZINC000852103934 588663846 /nfs/dbraw/zinc/66/38/46/588663846.db2.gz WINWGOCOILHIDB-ZDUSSCGKSA-N 1 0 229.283 2.114 20 30 BEEDRO C=C(Cl)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852108892 588664444 /nfs/dbraw/zinc/66/44/44/588664444.db2.gz PEJBSRWSIUYKDR-LBPRGKRZSA-N 1 0 228.767 2.157 20 30 BEEDRO C#CC1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000852205830 588671656 /nfs/dbraw/zinc/67/16/56/588671656.db2.gz VHMXMEACLPMXEY-BTTYYORXSA-N 1 0 203.329 2.378 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+](Cc2cc(C)nc(C)n2)C1 ZINC000852207107 588672368 /nfs/dbraw/zinc/67/23/68/588672368.db2.gz ZJPSOZFSUJCWPH-AWEZNQCLSA-N 1 0 243.354 2.329 20 30 BEEDRO C#C[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1 ZINC000852215880 588673479 /nfs/dbraw/zinc/67/34/79/588673479.db2.gz PVTSODPWPLENGH-LLVKDONJSA-N 1 0 230.311 2.397 20 30 BEEDRO C#CCCC[N@@H+](CC)[C@@H](C)C(=O)OC(C)(C)C ZINC000852307544 588677499 /nfs/dbraw/zinc/67/74/99/588677499.db2.gz ZIHHDMFFZRTJGA-LBPRGKRZSA-N 1 0 239.359 2.452 20 30 BEEDRO CC(C)C(=O)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319329 588678028 /nfs/dbraw/zinc/67/80/28/588678028.db2.gz KONDQWMHMHNIID-GFCCVEGCSA-N 1 0 222.332 2.227 20 30 BEEDRO C#CCOCC[NH+]1CCC(c2ccco2)CC1 ZINC000852321928 588678571 /nfs/dbraw/zinc/67/85/71/588678571.db2.gz WFEXNWBRQZDVJF-UHFFFAOYSA-N 1 0 233.311 2.109 20 30 BEEDRO C=CCN(Cc1ccc(F)cn1)[C@@H](C)COC ZINC000852356292 588679518 /nfs/dbraw/zinc/67/95/18/588679518.db2.gz AEBDLZJJIAVSMY-NSHDSACASA-N 1 0 238.306 2.244 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@H](O)c2ccccn2)C1 ZINC000852408823 588681028 /nfs/dbraw/zinc/68/10/28/588681028.db2.gz BHPCWMYQQVMEQY-HIFRSBDPSA-N 1 0 246.354 2.403 20 30 BEEDRO C=CC[C@H]1CCC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000852412144 588681320 /nfs/dbraw/zinc/68/13/20/588681320.db2.gz ZACJVIUTCAREAR-STQMWFEESA-N 1 0 249.354 2.370 20 30 BEEDRO C=CC[C@H]1CCC[N@@H+](C[C@H]2COC(C)(C)O2)C1 ZINC000852410290 588681525 /nfs/dbraw/zinc/68/15/25/588681525.db2.gz LCROAUBTJYYSGS-STQMWFEESA-N 1 0 239.359 2.426 20 30 BEEDRO C#CCCC[N@@H+](CC(=O)OC)C1CCCCC1 ZINC000852414872 588681595 /nfs/dbraw/zinc/68/15/95/588681595.db2.gz WBFPEFLTZQOTDB-UHFFFAOYSA-N 1 0 237.343 2.208 20 30 BEEDRO C=C(Cl)CN1CC2(CCC2)OC[C@@H]1C ZINC000852444099 588682538 /nfs/dbraw/zinc/68/25/38/588682538.db2.gz NWEUFPAIMLOPHZ-JTQLQIEISA-N 1 0 215.724 2.382 20 30 BEEDRO C#CCCC[N@@H+]1CCc2cc(OC)ccc2C1 ZINC000852550709 588689417 /nfs/dbraw/zinc/68/94/17/588689417.db2.gz LSGLOKAFLTWAIB-UHFFFAOYSA-N 1 0 229.323 2.467 20 30 BEEDRO C=CC[N@@H+](CCC1OCCO1)C(C)(C)C ZINC000852554685 588689484 /nfs/dbraw/zinc/68/94/84/588689484.db2.gz UFWOZEZOQPADJT-UHFFFAOYSA-N 1 0 213.321 2.036 20 30 BEEDRO C=CC[N@H+](C[C@H]1COC(C)(C)O1)C(C)(C)C ZINC000852554076 588689623 /nfs/dbraw/zinc/68/96/23/588689623.db2.gz BNHLZODCNDEGGP-NSHDSACASA-N 1 0 227.348 2.424 20 30 BEEDRO C=CCN(Cc1nonc1C)C(C)(C)C ZINC000852554567 588689633 /nfs/dbraw/zinc/68/96/33/588689633.db2.gz RONRIKJYBBHGGG-UHFFFAOYSA-N 1 0 209.293 2.165 20 30 BEEDRO CC[C@H]1COC[C@H]1[NH2+]CCc1ccc(C#N)cc1 ZINC000852554818 588689688 /nfs/dbraw/zinc/68/96/88/588689688.db2.gz CZCWLASQABOTDA-LSDHHAIUSA-N 1 0 244.338 2.115 20 30 BEEDRO C#CCC[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000852596819 588692793 /nfs/dbraw/zinc/69/27/93/588692793.db2.gz OCEQLXIRLPSJIE-UONOGXRCSA-N 1 0 221.344 2.291 20 30 BEEDRO C#CCC[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000852654624 588694195 /nfs/dbraw/zinc/69/41/95/588694195.db2.gz LQKZMXCYPHFHKO-HNNXBMFYSA-N 1 0 228.339 2.220 20 30 BEEDRO C[C@@]1(C#N)CCN(Cc2ccc3c(c2)COC3)C1 ZINC000852685724 588695860 /nfs/dbraw/zinc/69/58/60/588695860.db2.gz CPFPIJUGNTVQCT-HNNXBMFYSA-N 1 0 242.322 2.452 20 30 BEEDRO C[C@]1(C#N)CCN(C[C@@H](O)c2ccccc2F)C1 ZINC000852685507 588696051 /nfs/dbraw/zinc/69/60/51/588696051.db2.gz XBZLDPNIYCCFPR-ZIAGYGMSSA-N 1 0 248.301 2.095 20 30 BEEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nn(CC)nc1C ZINC000852688472 588696274 /nfs/dbraw/zinc/69/62/74/588696274.db2.gz UREGJORFTCXHNJ-BETUJISGSA-N 1 0 246.358 2.289 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](CCC1CC1)CC1CC1 ZINC000852716687 588697641 /nfs/dbraw/zinc/69/76/41/588697641.db2.gz PDKHBGXBQSVGHV-GFCCVEGCSA-N 1 0 236.359 2.427 20 30 BEEDRO C#CCCCN1CC[N@@H+](CCCC#C)[C@@H](C)[C@@H]1C ZINC000852739942 588698574 /nfs/dbraw/zinc/69/85/74/588698574.db2.gz JXWKJPDXOJCIJQ-HOTGVXAUSA-N 1 0 246.398 2.208 20 30 BEEDRO C=CCCCCCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861632940 589171073 /nfs/dbraw/zinc/17/10/73/589171073.db2.gz XETUNCFQIQJSFR-LBPRGKRZSA-N 1 0 241.379 2.112 20 30 BEEDRO C=CCCCCCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861632938 589171098 /nfs/dbraw/zinc/17/10/98/589171098.db2.gz XETUNCFQIQJSFR-GFCCVEGCSA-N 1 0 241.379 2.112 20 30 BEEDRO CCCCCCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000861655681 589173440 /nfs/dbraw/zinc/17/34/40/589173440.db2.gz YYBXNNWOUOWAJY-ZDUSSCGKSA-N 1 0 241.379 2.008 20 30 BEEDRO Cc1c(F)nccc1CN(C)[C@H](C)CC#N ZINC000862238865 589195991 /nfs/dbraw/zinc/19/59/91/589195991.db2.gz MWNGFBFBTBIGOW-SECBINFHSA-N 1 0 221.279 2.263 20 30 BEEDRO C#CCCCC[NH2+]Cc1cnc(C2CC2)o1 ZINC000862284537 589199721 /nfs/dbraw/zinc/19/97/21/589199721.db2.gz JXELQWQUCZINTO-UHFFFAOYSA-N 1 0 218.300 2.445 20 30 BEEDRO C=CCCOCC[NH2+]Cc1ccnc(F)c1C ZINC000862291084 589200115 /nfs/dbraw/zinc/20/01/15/589200115.db2.gz JKZVXXGGIYGEPN-UHFFFAOYSA-N 1 0 238.306 2.211 20 30 BEEDRO CCCCCCCNC(=O)Cc1[nH]cnc1C ZINC000862357248 589202887 /nfs/dbraw/zinc/20/28/87/589202887.db2.gz RBSHLBRJZSKICF-UHFFFAOYSA-N 1 0 237.347 2.347 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1cccc2n[nH]cc21 ZINC000862364032 589203984 /nfs/dbraw/zinc/20/39/84/589203984.db2.gz ZLFMNQVQBXNQSX-NSHDSACASA-N 1 0 213.284 2.064 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccnc(F)c1C ZINC000862362709 589204206 /nfs/dbraw/zinc/20/42/06/589204206.db2.gz DFRXGVFVAOCIQT-NSHDSACASA-N 1 0 206.264 2.031 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862401640 589209483 /nfs/dbraw/zinc/20/94/83/589209483.db2.gz HMEGJYWLZCHBTF-NSHDSACASA-N 1 0 230.311 2.397 20 30 BEEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(C)nc2Cl)C1 ZINC000862439998 589212948 /nfs/dbraw/zinc/21/29/48/589212948.db2.gz DCNNWOCZIZSDTO-JTQLQIEISA-N 1 0 239.750 2.472 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccc(F)nc2)C1 ZINC000862444803 589213866 /nfs/dbraw/zinc/21/38/66/589213866.db2.gz HEGYRJAFHSMSCF-NSHDSACASA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CC(C)(C)COC)C1 ZINC000862444572 589213883 /nfs/dbraw/zinc/21/38/83/589213883.db2.gz CGIKFFSSBCCOIK-GFCCVEGCSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000862443621 589213954 /nfs/dbraw/zinc/21/39/54/589213954.db2.gz RFXLGYOFRYOAEP-LBPRGKRZSA-N 1 0 244.294 2.440 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]CC(=O)N(CC)OCC ZINC000862451443 589214957 /nfs/dbraw/zinc/21/49/57/589214957.db2.gz CLRXWKYCHSRFQP-GFCCVEGCSA-N 1 0 242.363 2.121 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](Cc2cncn2C(C)C)C1 ZINC000862448079 589215280 /nfs/dbraw/zinc/21/52/80/589215280.db2.gz WPIGQUSZGBIPJE-CYBMUJFWSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000862447805 589215346 /nfs/dbraw/zinc/21/53/46/589215346.db2.gz RMDNWVHMXJTMJI-ZDUSSCGKSA-N 1 0 231.343 2.309 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cccc(C)c1O ZINC000862547652 589219998 /nfs/dbraw/zinc/21/99/98/589219998.db2.gz LLFGTMXVAGVOQH-AWEZNQCLSA-N 1 0 247.338 2.219 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)c1ccccn1 ZINC000862547601 589220127 /nfs/dbraw/zinc/22/01/27/589220127.db2.gz KNFKDNHHJWGMSX-STQMWFEESA-N 1 0 232.327 2.161 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)Cc1ccoc1 ZINC000862548195 589220160 /nfs/dbraw/zinc/22/01/60/589220160.db2.gz AGGYEJUJTKGXHP-JSGCOSHPSA-N 1 0 235.327 2.229 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000862549308 589220313 /nfs/dbraw/zinc/22/03/13/589220313.db2.gz ZLGXXTXWKUIZJP-OAGGEKHMSA-N 1 0 243.350 2.418 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C1CCC(C)(C#N)CC1 ZINC000862549020 589220427 /nfs/dbraw/zinc/22/04/27/589220427.db2.gz STFAOLKLQYXRHT-NFOMZHRRSA-N 1 0 248.370 2.477 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)CCC(F)(F)F ZINC000862548921 589220448 /nfs/dbraw/zinc/22/04/48/589220448.db2.gz QVFTTXBAYCDKSX-UWVGGRQHSA-N 1 0 237.265 2.345 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@H](COC)CC(C)C ZINC000862549071 589220470 /nfs/dbraw/zinc/22/04/70/589220470.db2.gz UPVVFXVLDJYOMF-KGLIPLIRSA-N 1 0 241.375 2.066 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000862549306 589220505 /nfs/dbraw/zinc/22/05/05/589220505.db2.gz ZLGXXTXWKUIZJP-ARFHVFGLSA-N 1 0 243.350 2.418 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000862548812 589220508 /nfs/dbraw/zinc/22/05/08/589220508.db2.gz OIQGPNZAFSXTRN-HZSPNIEDSA-N 1 0 221.344 2.193 20 30 BEEDRO C#CC[C@H](COC)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000862548619 589220545 /nfs/dbraw/zinc/22/05/45/589220545.db2.gz JLKRYTJMPXMCHO-GDBMZVCRSA-N 1 0 245.366 2.493 20 30 BEEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)C1CCSCC1 ZINC000862551864 589220817 /nfs/dbraw/zinc/22/08/17/589220817.db2.gz ZWZAHFGAABQXJG-AAEUAGOBSA-N 1 0 241.400 2.146 20 30 BEEDRO Cc1ccc([C@@H](C)C=[NH+]n2cnnc2)cc1 ZINC000863063443 589253576 /nfs/dbraw/zinc/25/35/76/589253576.db2.gz RFKWPSLTQXGABP-NSHDSACASA-N 1 0 214.272 2.224 20 30 BEEDRO CC[C@H](C)c1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000863079239 589254715 /nfs/dbraw/zinc/25/47/15/589254715.db2.gz IGDWTSPEEIYCRH-VIFPVBQESA-N 1 0 232.331 2.407 20 30 BEEDRO CCC(=[NH+]N[C@H](C)COC)c1ccc(N)cc1 ZINC000863104631 589256332 /nfs/dbraw/zinc/25/63/32/589256332.db2.gz BLFCTBCINIAEIT-SNVBAGLBSA-N 1 0 235.331 2.007 20 30 BEEDRO CC(C)OCCON=C1CC[N@H+](C)C(C)(C)C1 ZINC000863114680 589258807 /nfs/dbraw/zinc/25/88/07/589258807.db2.gz QNPDZUIOQNYPQN-UHFFFAOYSA-N 1 0 242.363 2.288 20 30 BEEDRO C=C(C)CON=C1CC[N@@H+](C)C(C)(C)C1 ZINC000863124085 589261030 /nfs/dbraw/zinc/26/10/30/589261030.db2.gz PRBUUESRXANJHU-UHFFFAOYSA-N 1 0 210.321 2.439 20 30 BEEDRO Cc1c[nH+]ccc1NN=Cc1cncn1C(C)C ZINC000863157689 589263854 /nfs/dbraw/zinc/26/38/54/589263854.db2.gz FYKBEQMNBBGCST-UHFFFAOYSA-N 1 0 243.314 2.035 20 30 BEEDRO CCC(N)=[NH+]OCc1ccc(C)c(C#N)c1 ZINC000863455572 589288998 /nfs/dbraw/zinc/28/89/98/589288998.db2.gz NHQJUFIOUDGOOP-UHFFFAOYSA-N 1 0 217.272 2.275 20 30 BEEDRO C=CCCCCC[C@@H](C)[NH2+]C[C@@H]1COCCN1 ZINC000863544673 589297825 /nfs/dbraw/zinc/29/78/25/589297825.db2.gz BDFWNZMOFIYYAP-ZIAGYGMSSA-N 1 0 240.391 2.089 20 30 BEEDRO N#CCC1CN(c2cc[nH+]cc2C(F)(F)F)C1 ZINC000864090119 589342721 /nfs/dbraw/zinc/34/27/21/589342721.db2.gz ABOPGOXGAKFMKN-UHFFFAOYSA-N 1 0 241.216 2.450 20 30 BEEDRO C#C[C@H](NC(=[NH2+])N[C@@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000864467422 589371846 /nfs/dbraw/zinc/37/18/46/589371846.db2.gz TVTZYSCWUVSIIE-JIMOISOXSA-N 1 0 245.301 2.022 20 30 BEEDRO C=CCC(C)(C)CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864467763 589372065 /nfs/dbraw/zinc/37/20/65/589372065.db2.gz YRYMRNFUESTUJS-NXEZZACHSA-N 1 0 209.337 2.111 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865415260 589434248 /nfs/dbraw/zinc/43/42/48/589434248.db2.gz YIUNNSIGSMVHAE-YPMHNXCESA-N 1 0 243.354 2.370 20 30 BEEDRO N#CCCCC[NH2+]Cc1cn(C2CC2)cn1 ZINC000865448388 589436495 /nfs/dbraw/zinc/43/64/95/589436495.db2.gz FDPJOGWRQYXTTN-UHFFFAOYSA-N 1 0 218.304 2.001 20 30 BEEDRO CC#CCCNc1cc[nH+]cc1C(F)(F)F ZINC000865662540 589454840 /nfs/dbraw/zinc/45/48/40/589454840.db2.gz BAHBTJRIJIHDMY-UHFFFAOYSA-N 1 0 228.217 2.348 20 30 BEEDRO N#CCCCNc1cc[nH+]cc1C(F)(F)F ZINC000865670768 589455407 /nfs/dbraw/zinc/45/54/07/589455407.db2.gz GNNGUDYACRCENV-UHFFFAOYSA-N 1 0 229.205 2.238 20 30 BEEDRO C=CCCC(C)(C)C[NH2+]Cc1cnn(CC)n1 ZINC000865679283 589455910 /nfs/dbraw/zinc/45/59/10/589455910.db2.gz NEBZFJCKYNYDFX-UHFFFAOYSA-N 1 0 236.363 2.380 20 30 BEEDRO CC(C)(CCC#N)C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865691747 589456470 /nfs/dbraw/zinc/45/64/70/589456470.db2.gz FNPAFDSYGVKOGF-QSLWVIQJSA-N 1 0 248.370 2.329 20 30 BEEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]CC1CC1)C2 ZINC000865847210 589464611 /nfs/dbraw/zinc/46/46/11/589464611.db2.gz AUZMKUAYYRRNIR-AWEZNQCLSA-N 1 0 212.296 2.025 20 30 BEEDRO N#Cc1csc(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000865859904 589465548 /nfs/dbraw/zinc/46/55/48/589465548.db2.gz XTHQQAUBTGBERM-OLZOCXBDSA-N 1 0 248.351 2.421 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1 ZINC000865859856 589465691 /nfs/dbraw/zinc/46/56/91/589465691.db2.gz SEUZKNVSUWXVSI-CABCVRRESA-N 1 0 242.322 2.359 20 30 BEEDRO N#Cc1ccc(C[NH2+]CC[C@H](O)C2CCCC2)o1 ZINC000865876952 589466908 /nfs/dbraw/zinc/46/69/08/589466908.db2.gz ZVTNTPIKFFOKLK-AWEZNQCLSA-N 1 0 248.326 2.182 20 30 BEEDRO C=CCCNc1cc(NCCC)ncn1 ZINC000865936829 589469164 /nfs/dbraw/zinc/46/91/64/589469164.db2.gz QDRYHDJHNDDOIS-UHFFFAOYSA-N 1 0 206.293 2.287 20 30 BEEDRO C#CCCC[NH2+][C@H]1c2ccccc2OC[C@H]1F ZINC000866274086 589483787 /nfs/dbraw/zinc/48/37/87/589483787.db2.gz GKALFGVDTRWXIR-OCCSQVGLSA-N 1 0 233.286 2.461 20 30 BEEDRO C#CCCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866273991 589483837 /nfs/dbraw/zinc/48/38/37/589483837.db2.gz FQINWODTRWOXAA-ZDUSSCGKSA-N 1 0 216.328 2.406 20 30 BEEDRO C#CCCC[NH2+][C@H]1c2ccccc2OC[C@@H]1F ZINC000866274085 589483968 /nfs/dbraw/zinc/48/39/68/589483968.db2.gz GKALFGVDTRWXIR-JSGCOSHPSA-N 1 0 233.286 2.461 20 30 BEEDRO C=CCOCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866335680 589486812 /nfs/dbraw/zinc/48/68/12/589486812.db2.gz DQFGJHBGDFYPJJ-UONOGXRCSA-N 1 0 239.359 2.126 20 30 BEEDRO N#CCCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866337202 589487013 /nfs/dbraw/zinc/48/70/13/589487013.db2.gz UWUOWIBOANIVAS-OLZOCXBDSA-N 1 0 222.332 2.227 20 30 BEEDRO N#CCCC[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866337201 589487031 /nfs/dbraw/zinc/48/70/31/589487031.db2.gz UWUOWIBOANIVAS-CHWSQXEVSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866386808 589489288 /nfs/dbraw/zinc/48/92/88/589489288.db2.gz LNTSRAPXXOMBLL-STQMWFEESA-N 1 0 209.333 2.500 20 30 BEEDRO COC(C)(C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000866505260 589498235 /nfs/dbraw/zinc/49/82/35/589498235.db2.gz JSBHVVRCCDEOJF-WDEREUQCSA-N 1 0 210.321 2.083 20 30 BEEDRO CCOC[C@@H](C)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866618053 589505405 /nfs/dbraw/zinc/50/54/05/589505405.db2.gz UVXITVWCOPRKBS-ABAIWWIYSA-N 1 0 244.338 2.040 20 30 BEEDRO CC[C@@H](COC)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866617817 589505539 /nfs/dbraw/zinc/50/55/39/589505539.db2.gz PVOKRJHSEIHYPE-LSDHHAIUSA-N 1 0 244.338 2.040 20 30 BEEDRO C[C@@H]1CC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866616801 589505549 /nfs/dbraw/zinc/50/55/49/589505549.db2.gz BVCRWKYKNYVBQY-WKPIXPDZSA-N 1 0 226.323 2.414 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000866634768 589506305 /nfs/dbraw/zinc/50/63/05/589506305.db2.gz UKZRBRPKANCFOU-LOWDOPEQSA-N 1 0 224.348 2.208 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000123085533 589660957 /nfs/dbraw/zinc/66/09/57/589660957.db2.gz IELVAMQNEQYKFX-WDEREUQCSA-N 1 0 245.322 2.130 20 30 BEEDRO C=CC(C)(C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870548646 589673940 /nfs/dbraw/zinc/67/39/40/589673940.db2.gz SENFLSGTICRWQV-SNVBAGLBSA-N 1 0 213.321 2.082 20 30 BEEDRO C=C(C)C(C)(C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870548122 589673942 /nfs/dbraw/zinc/67/39/42/589673942.db2.gz MSBKOOPLSPNZCD-NSHDSACASA-N 1 0 227.348 2.472 20 30 BEEDRO CC#CCCCC(=O)O[C@H](CC)C[NH+](C)C ZINC000870552562 589675099 /nfs/dbraw/zinc/67/50/99/589675099.db2.gz HDCQLUKIDFZWDE-GFCCVEGCSA-N 1 0 225.332 2.063 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(C)cc(C)c1O ZINC000870812140 589690496 /nfs/dbraw/zinc/69/04/96/589690496.db2.gz CFMYVQHZRJGOQG-UHFFFAOYSA-N 1 0 248.326 2.065 20 30 BEEDRO CNC(NCc1ccc(C(C)(C)C)s1)=[NH+]C ZINC000871602852 589772921 /nfs/dbraw/zinc/77/29/21/589772921.db2.gz ZRASTIACWLPSFX-UHFFFAOYSA-N 1 0 239.388 2.340 20 30 BEEDRO Cc1ccc(O)c(C[NH+]2CCC(C#N)CC2)c1 ZINC000123757635 589794696 /nfs/dbraw/zinc/79/46/96/589794696.db2.gz YKTOKUHBKSBAIC-UHFFFAOYSA-N 1 0 230.311 2.436 20 30 BEEDRO N#Cc1ccccc1CON=C(N)C1CCC1 ZINC000871764321 589809641 /nfs/dbraw/zinc/80/96/41/589809641.db2.gz FULXWSBFMPAKSS-UHFFFAOYSA-N 1 0 229.283 2.357 20 30 BEEDRO N#Cc1cc(F)ccc1CON=C(N)C1CCC1 ZINC000871764727 589809674 /nfs/dbraw/zinc/80/96/74/589809674.db2.gz NMWWKRIPYULKFH-UHFFFAOYSA-N 1 0 247.273 2.496 20 30 BEEDRO N#Cc1cccc(CON=C(N)C2CCC2)c1 ZINC000871764260 589809797 /nfs/dbraw/zinc/80/97/97/589809797.db2.gz FHRZOVGNFULJHA-UHFFFAOYSA-N 1 0 229.283 2.357 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](CC)C(=O)Nc1ccc(C)cc1 ZINC000871884493 589827966 /nfs/dbraw/zinc/82/79/66/589827966.db2.gz YMWJSMGADUOVCD-OCCSQVGLSA-N 1 0 244.338 2.323 20 30 BEEDRO N#CCC[C@@H](C#N)C[NH2+]CC[C@H]1CCSC1 ZINC000871891159 589830198 /nfs/dbraw/zinc/83/01/98/589830198.db2.gz LRVKOBCFHLBZJV-RYUDHWBXSA-N 1 0 237.372 2.163 20 30 BEEDRO N#CCC[C@H](C#N)C[NH2+]CC[C@@H]1CCCS1 ZINC000871918270 589832726 /nfs/dbraw/zinc/83/27/26/589832726.db2.gz NQYUPVHALVXTNB-NEPJUHHUSA-N 1 0 237.372 2.305 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)[C@@H]1CCCOC1 ZINC000872047813 589860859 /nfs/dbraw/zinc/86/08/59/589860859.db2.gz GKWZYTTWRYFDOX-CHWSQXEVSA-N 1 0 241.400 2.148 20 30 BEEDRO C=CCOCC[NH2+][C@@H](C)c1cc(O)ccc1F ZINC000872059064 589861913 /nfs/dbraw/zinc/86/19/13/589861913.db2.gz AOZWFLUCUSSMJP-JTQLQIEISA-N 1 0 239.290 2.385 20 30 BEEDRO C[C@@H]([NH2+]CCCC#N)c1cc(O)ccc1F ZINC000872060153 589861978 /nfs/dbraw/zinc/86/19/78/589861978.db2.gz NCJLXCMJGQJTAV-SECBINFHSA-N 1 0 222.263 2.486 20 30 BEEDRO C=CCOCC[NH2+][C@H](C)c1cccc(O)c1F ZINC000872059916 589862449 /nfs/dbraw/zinc/86/24/49/589862449.db2.gz KTHQBCIJIRWPLB-SNVBAGLBSA-N 1 0 239.290 2.385 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000872101501 589870004 /nfs/dbraw/zinc/87/00/04/589870004.db2.gz MNJBIUOTLDZSBH-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO COCC(C)(C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000872104354 589872038 /nfs/dbraw/zinc/87/20/38/589872038.db2.gz BOJRENBEEHWWGC-NWDGAFQWSA-N 1 0 224.348 2.331 20 30 BEEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127815 589877260 /nfs/dbraw/zinc/87/72/60/589877260.db2.gz YQXTYOAERJKZEN-XUXIUFHCSA-N 1 0 223.360 2.482 20 30 BEEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]C[C@H]1C[C@H](O)C1 ZINC000872127814 589877658 /nfs/dbraw/zinc/87/76/58/589877658.db2.gz YQXTYOAERJKZEN-XDQVBPFNSA-N 1 0 223.360 2.482 20 30 BEEDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccc(C#N)c(F)c1 ZINC000872127376 589877661 /nfs/dbraw/zinc/87/76/61/589877661.db2.gz VPMOBTLEOGXXLA-KWBADKCTSA-N 1 0 248.301 2.119 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1nonc1C)C1CC1 ZINC000872137077 589879170 /nfs/dbraw/zinc/87/91/70/589879170.db2.gz QHQFFYOJBFWCDX-LLVKDONJSA-N 1 0 221.304 2.212 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C)C2)CC1 ZINC000872139439 589880419 /nfs/dbraw/zinc/88/04/19/589880419.db2.gz FHNXTORRLMOHNO-XDQVBPFNSA-N 1 0 221.344 2.336 20 30 BEEDRO C=CCCc1noc(/C=C\[C@@H]2CCC[NH2+]C2)n1 ZINC000872182319 589888753 /nfs/dbraw/zinc/88/87/53/589888753.db2.gz JFNWXJGGDDDSCK-TVRMLOFPSA-N 1 0 233.315 2.201 20 30 BEEDRO C=CCCc1noc(/C=C/[C@H]2CCC[NH2+]C2)n1 ZINC000872182320 589889012 /nfs/dbraw/zinc/88/90/12/589889012.db2.gz JFNWXJGGDDDSCK-WSKFYRRCSA-N 1 0 233.315 2.201 20 30 BEEDRO CCCCCCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216319 589895043 /nfs/dbraw/zinc/89/50/43/589895043.db2.gz QFXHFDLQADVAKQ-LBPRGKRZSA-N 1 0 231.380 2.068 20 30 BEEDRO N#CC1(C[C@H](O)C[NH2+]CCCCC2CC2)CC1 ZINC000872231827 589898003 /nfs/dbraw/zinc/89/80/03/589898003.db2.gz SAHDXZJJUMDKKS-ZDUSSCGKSA-N 1 0 236.359 2.211 20 30 BEEDRO C=CC(C)(C)CCC[NH2+]C[C@@H](O)COC(C)C ZINC000872242416 589899474 /nfs/dbraw/zinc/89/94/74/589899474.db2.gz DDKRISZFWGRQKW-CYBMUJFWSA-N 1 0 243.391 2.354 20 30 BEEDRO C[C@H]1CC(=[NH+]n2cnnc2)CC(C)(C)C1 ZINC000872324314 589912479 /nfs/dbraw/zinc/91/24/79/589912479.db2.gz PTDVHBYJMIIDSA-VIFPVBQESA-N 1 0 206.293 2.328 20 30 BEEDRO C[C@H]1C(N=Nc2nc3ccccc3[nH]2)CC[N@@H+]1C ZINC000872328591 589914018 /nfs/dbraw/zinc/91/40/18/589914018.db2.gz YUEJSTRJMLXBAT-VIFPVBQESA-N 1 0 243.314 2.055 20 30 BEEDRO CCNc1ccccc1C=[NH+]OCCOC ZINC000872354988 589917091 /nfs/dbraw/zinc/91/70/91/589917091.db2.gz BMJVVNMAVWRGKQ-UHFFFAOYSA-N 1 0 222.288 2.115 20 30 BEEDRO CC(C)CNN=C1CCC(C)([NH+](C)C)CC1 ZINC000872361726 589919289 /nfs/dbraw/zinc/91/92/89/589919289.db2.gz NXPZFMWXJYIJIM-UHFFFAOYSA-N 1 0 225.380 2.482 20 30 BEEDRO CCOCCON=C1CCC(C)([NH+](C)C)CC1 ZINC000872367348 589922152 /nfs/dbraw/zinc/92/21/52/589922152.db2.gz WBFNGXUCAOFXRV-UHFFFAOYSA-N 1 0 242.363 2.290 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]NC1CCCCC1 ZINC000872368604 589922449 /nfs/dbraw/zinc/92/24/49/589922449.db2.gz ZKLVQZSUHOGGDM-UHFFFAOYSA-N 1 0 232.331 2.228 20 30 BEEDRO C[NH+](C)C1(C)CCC(N=Nc2cncnc2)CC1 ZINC000872373005 589923905 /nfs/dbraw/zinc/92/39/05/589923905.db2.gz WAEQIVJOGCJWIX-UHFFFAOYSA-N 1 0 247.346 2.139 20 30 BEEDRO CC(=[NH+]N1CCC1)c1ccc(N)cc1C ZINC000872396533 589932986 /nfs/dbraw/zinc/93/29/86/589932986.db2.gz DBBZJVKXBLSOOX-UHFFFAOYSA-N 1 0 203.289 2.007 20 30 BEEDRO CCNc1ccccc1C=[NH+]N1CCC1 ZINC000872398850 589934899 /nfs/dbraw/zinc/93/48/99/589934899.db2.gz KEDBEUPFHGFDJG-UHFFFAOYSA-N 1 0 203.289 2.158 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1C1CC1 ZINC000872575389 589953427 /nfs/dbraw/zinc/95/34/27/589953427.db2.gz UCILAJZYBDBURY-WFASDCNBSA-N 1 0 244.338 2.384 20 30 BEEDRO C=CC1CC[NH+](CN2CCC3(CCC3)C2=O)CC1 ZINC000872577673 589953784 /nfs/dbraw/zinc/95/37/84/589953784.db2.gz LSGXEMHLRCOBOG-UHFFFAOYSA-N 1 0 248.370 2.245 20 30 BEEDRO C#CCCC[NH2+]Cc1cccc(F)c1C#N ZINC000873063923 589982328 /nfs/dbraw/zinc/98/23/28/589982328.db2.gz JDYASLUXIGNYMC-UHFFFAOYSA-N 1 0 216.259 2.200 20 30 BEEDRO CC(C)(C)C[N@H+](CCC#N)CCC1OCCO1 ZINC000124381552 589983781 /nfs/dbraw/zinc/98/37/81/589983781.db2.gz PNVRSLQVKNXOHI-UHFFFAOYSA-N 1 0 240.347 2.011 20 30 BEEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H](C)C(C)(C)C ZINC000874591059 590118130 /nfs/dbraw/zinc/11/81/30/590118130.db2.gz DVBLTPQPAWIXAT-LBPRGKRZSA-N 1 0 240.391 2.245 20 30 BEEDRO C=CCC[C@H]([NH2+]CC[S@@](=O)CC)C1CC1 ZINC000125332082 590162253 /nfs/dbraw/zinc/16/22/53/590162253.db2.gz VEABNSJEGRBQKC-SWLSCSKDSA-N 1 0 229.389 2.089 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C1CCCCC1 ZINC000876543384 590212545 /nfs/dbraw/zinc/21/25/45/590212545.db2.gz BZGNBNDQKHBKGA-LLVKDONJSA-N 1 0 244.766 2.247 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCC(C)C ZINC000876549442 590214639 /nfs/dbraw/zinc/21/46/39/590214639.db2.gz PKXWOJAIUWYOFN-QWRGUYRKSA-N 1 0 246.782 2.397 20 30 BEEDRO C#CCCCCCC[N@@H+](CCO)C1CC1 ZINC000876579840 590218644 /nfs/dbraw/zinc/21/86/44/590218644.db2.gz NDNWFVMVHBLMFO-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC(C)C)C1CC1 ZINC000876596085 590219972 /nfs/dbraw/zinc/21/99/72/590219972.db2.gz DJKYRZUVODKVKO-LLVKDONJSA-N 1 0 244.766 2.103 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C(C)(C)C ZINC000876599510 590220147 /nfs/dbraw/zinc/22/01/47/590220147.db2.gz DAUGNKVTFHVLQJ-NXEZZACHSA-N 1 0 246.782 2.349 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C(C)(C)C ZINC000876599511 590220203 /nfs/dbraw/zinc/22/02/03/590220203.db2.gz DAUGNKVTFHVLQJ-UWVGGRQHSA-N 1 0 246.782 2.349 20 30 BEEDRO C#CCCCCCC[N@H+]1CCOC[C@@H]1C ZINC000876610584 590222044 /nfs/dbraw/zinc/22/20/44/590222044.db2.gz DQNQFHNQUQVXMZ-ZDUSSCGKSA-N 1 0 209.333 2.291 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)[C@H](C)CC ZINC000876615231 590222423 /nfs/dbraw/zinc/22/24/23/590222423.db2.gz XTVZGERKEWDYFA-QNSHHTMESA-N 1 0 232.755 2.007 20 30 BEEDRO C#CCCCCCC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000876616969 590222525 /nfs/dbraw/zinc/22/25/25/590222525.db2.gz CLBAIVKDLSFMEQ-CYBMUJFWSA-N 1 0 239.359 2.311 20 30 BEEDRO C#CC[N@@H+](CC)Cc1cc(C#N)ccc1N(C)C ZINC000876639395 590225183 /nfs/dbraw/zinc/22/51/83/590225183.db2.gz OVVPJSHZEUTNAK-UHFFFAOYSA-N 1 0 241.338 2.079 20 30 BEEDRO CC[C@](C)(C[NH+]1CCC(C#N)CC1)OC ZINC000876653901 590226232 /nfs/dbraw/zinc/22/62/32/590226232.db2.gz VVXGCSUZBLJQHH-GFCCVEGCSA-N 1 0 210.321 2.037 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(CC)CCC1 ZINC000876658562 590227458 /nfs/dbraw/zinc/22/74/58/590227458.db2.gz ZHCZIAYDBCBXOX-SNVBAGLBSA-N 1 0 244.766 2.153 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)CC(=O)OC ZINC000876685213 590230109 /nfs/dbraw/zinc/23/01/09/590230109.db2.gz AMHRKNYDNSEOLS-UHFFFAOYSA-N 1 0 225.332 2.065 20 30 BEEDRO C#CCCCCCC[N@@H+](C)[C@@H](C)C(=O)OCC ZINC000876722704 590233232 /nfs/dbraw/zinc/23/32/32/590233232.db2.gz BTXOXTQGDWWFIR-ZDUSSCGKSA-N 1 0 239.359 2.454 20 30 BEEDRO C#CC[N@@H+](CC#CC)Cc1ccc(C)cc1O ZINC000876748661 590237055 /nfs/dbraw/zinc/23/70/55/590237055.db2.gz DFDFWSRLSLPNHZ-UHFFFAOYSA-N 1 0 227.307 2.159 20 30 BEEDRO CC(C)C[NH2+]Cc1cc(C#N)cnc1Cl ZINC000876884410 590253685 /nfs/dbraw/zinc/25/36/85/590253685.db2.gz IGEPNOBANXAWJN-UHFFFAOYSA-N 1 0 223.707 2.352 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCc1cccnc1 ZINC000876923290 590257811 /nfs/dbraw/zinc/25/78/11/590257811.db2.gz SUUKIMTWADIIRV-LBPRGKRZSA-N 1 0 217.316 2.154 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(C)(C)C ZINC000876950391 590260408 /nfs/dbraw/zinc/26/04/08/590260408.db2.gz MBBXBQJNDZGBQU-BDAKNGLRSA-N 1 0 232.755 2.007 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(C)(C)CC ZINC000876961288 590261472 /nfs/dbraw/zinc/26/14/72/590261472.db2.gz CZPYVVDRQGCRNV-VHSXEESVSA-N 1 0 246.782 2.397 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC000876973416 590262920 /nfs/dbraw/zinc/26/29/20/590262920.db2.gz FXAMRZQGWDKTBI-MNOVXSKESA-N 1 0 244.766 2.007 20 30 BEEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C1CC1 ZINC000876973417 590262956 /nfs/dbraw/zinc/26/29/56/590262956.db2.gz FXAMRZQGWDKTBI-QWRGUYRKSA-N 1 0 244.766 2.007 20 30 BEEDRO C#CCCCCCC[NH2+]C[C@H]1CCCN1C ZINC000876985949 590265275 /nfs/dbraw/zinc/26/52/75/590265275.db2.gz XULTYVGKEHGJER-CQSZACIVSA-N 1 0 222.376 2.254 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]Cc1ccccc1O ZINC000876995122 590266678 /nfs/dbraw/zinc/26/66/78/590266678.db2.gz APJIYYWPCSNBJR-LLVKDONJSA-N 1 0 218.300 2.422 20 30 BEEDRO CCN(CC[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000876996374 590267042 /nfs/dbraw/zinc/26/70/42/590267042.db2.gz RWKJQIUDMDXUNC-CYBMUJFWSA-N 1 0 225.380 2.246 20 30 BEEDRO C#CCCCCCC[NH2+]CC1(C)COC1 ZINC000877029386 590270448 /nfs/dbraw/zinc/27/04/48/590270448.db2.gz AUZATLXZNOCNSN-UHFFFAOYSA-N 1 0 209.333 2.196 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)[C@H](CO)SC ZINC000877048393 590271082 /nfs/dbraw/zinc/27/10/82/590271082.db2.gz JSCNORVOGCDAKJ-STQMWFEESA-N 1 0 243.416 2.272 20 30 BEEDRO CCc1cc(C[NH2+]C2CCC(C#N)CC2)[nH]n1 ZINC000877033530 590272039 /nfs/dbraw/zinc/27/20/39/590272039.db2.gz DLYGPERMYZOEOK-UHFFFAOYSA-N 1 0 232.331 2.144 20 30 BEEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(Cl)nn1 ZINC000877035333 590272330 /nfs/dbraw/zinc/27/23/30/590272330.db2.gz FFKKKAFHXZOJTQ-MRVPVSSYSA-N 1 0 211.696 2.184 20 30 BEEDRO COc1ccc(O)c(C[NH2+]C[C@H](C)CCC#N)c1 ZINC000877036851 590272488 /nfs/dbraw/zinc/27/24/88/590272488.db2.gz SUZPMJSJVPRYTH-LLVKDONJSA-N 1 0 248.326 2.430 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@](C)(O)c1ccccc1 ZINC000877039404 590272608 /nfs/dbraw/zinc/27/26/08/590272608.db2.gz DTMAGCRLKLRWCI-ZFWWWQNUSA-N 1 0 246.354 2.424 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000877039401 590273051 /nfs/dbraw/zinc/27/30/51/590273051.db2.gz DTMAGCRLKLRWCI-DZGCQCFKSA-N 1 0 246.354 2.424 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CC)CCO ZINC000877056416 590275813 /nfs/dbraw/zinc/27/58/13/590275813.db2.gz YCDSVSYDJRSAIT-ZDUSSCGKSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCCC[NH2+]Cc1c(C)cccc1O ZINC000877069809 590277268 /nfs/dbraw/zinc/27/72/68/590277268.db2.gz FYMJGQBBOJTJCP-UHFFFAOYSA-N 1 0 203.285 2.204 20 30 BEEDRO C#CCCC[NH2+]C[C@H](Cc1ccccc1)OC ZINC000877070945 590277550 /nfs/dbraw/zinc/27/75/50/590277550.db2.gz ZMGBDPIRPNXYDJ-HNNXBMFYSA-N 1 0 231.339 2.247 20 30 BEEDRO C#CCCC[NH2+]C[C@H]1CC1(Cl)Cl ZINC000877070879 590277591 /nfs/dbraw/zinc/27/75/91/590277591.db2.gz XVPMXOQFWSOTNL-MRVPVSSYSA-N 1 0 206.116 2.183 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1c(C)cccc1O ZINC000877089974 590280751 /nfs/dbraw/zinc/28/07/51/590280751.db2.gz VMHAYNFIJZJVNK-UHFFFAOYSA-N 1 0 235.327 2.383 20 30 BEEDRO C#CCCCCCC[NH2+][C@H]1CC[C@H](O)CC1 ZINC000877120188 590289048 /nfs/dbraw/zinc/28/90/48/590289048.db2.gz DOBFRULDHVXCBJ-HDJSIYSDSA-N 1 0 223.360 2.463 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC[C@@H]1C ZINC000877154745 590293489 /nfs/dbraw/zinc/29/34/89/590293489.db2.gz YQEKFYMCZQCQPF-STQMWFEESA-N 1 0 223.364 2.000 20 30 BEEDRO C#CCCCCCC[NH2+][C@@](C)(CO)C1CC1 ZINC000877158482 590293851 /nfs/dbraw/zinc/29/38/51/590293851.db2.gz IMHVCIAMGJPJFB-AWEZNQCLSA-N 1 0 223.360 2.321 20 30 BEEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CC1CCC1 ZINC000877204826 590301203 /nfs/dbraw/zinc/30/12/03/590301203.db2.gz PUUIPNFVVGZVLE-GXSJLCMTSA-N 1 0 244.766 2.151 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000877304367 590310505 /nfs/dbraw/zinc/31/05/05/590310505.db2.gz ZCIALFDAZZZEFE-LBPRGKRZSA-N 1 0 240.391 2.468 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000877304207 590310677 /nfs/dbraw/zinc/31/06/77/590310677.db2.gz VKLBIYINOQZGTR-LLVKDONJSA-N 1 0 238.375 2.236 20 30 BEEDRO C=CC(C)(C)CCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000877303369 590310890 /nfs/dbraw/zinc/31/08/90/590310890.db2.gz DRNZMMFIXOXSCU-RYUDHWBXSA-N 1 0 240.391 2.468 20 30 BEEDRO N#Cc1cccc(C[NH2+]C23CCC(CC2)C3)n1 ZINC000877308031 590311669 /nfs/dbraw/zinc/31/16/69/590311669.db2.gz BHOJKLZERCLTPO-UHFFFAOYSA-N 1 0 227.311 2.376 20 30 BEEDRO CC(C)(C#N)C[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877322855 590316775 /nfs/dbraw/zinc/31/67/75/590316775.db2.gz DAZAATFPMXRDPW-ZETCQYMHSA-N 1 0 221.131 2.320 20 30 BEEDRO C#CCCCCCC[N@@H+](C)CC1(O)CCC1 ZINC000877346674 590319259 /nfs/dbraw/zinc/31/92/59/590319259.db2.gz TUUGYDLRSAKLIB-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO C#CCCCCCC[NH2+]C1CCC(O)CC1 ZINC000877423548 590320886 /nfs/dbraw/zinc/32/08/86/590320886.db2.gz DOBFRULDHVXCBJ-UHFFFAOYSA-N 1 0 223.360 2.463 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](CO)C/C=C\C ZINC000877404634 590323463 /nfs/dbraw/zinc/32/34/63/590323463.db2.gz DAXXDGUERYDOJF-KXQLTZBTSA-N 1 0 223.360 2.487 20 30 BEEDRO C#CCCCCCC[NH2+]CCC(C)(C)O ZINC000877420861 590325592 /nfs/dbraw/zinc/32/55/92/590325592.db2.gz GOLQRTOITYLVIG-UHFFFAOYSA-N 1 0 211.349 2.321 20 30 BEEDRO C#CCCCCCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000877432361 590325732 /nfs/dbraw/zinc/32/57/32/590325732.db2.gz CCEYPLRFNDBKOR-KBPBESRZSA-N 1 0 223.360 2.273 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H]1CCn2ccnc2C1 ZINC000877429679 590325743 /nfs/dbraw/zinc/32/57/43/590325743.db2.gz KTPCACAABAXSKS-CQSZACIVSA-N 1 0 245.370 2.371 20 30 BEEDRO C#CCCCCCC[NH2+][C@@H](C)c1ncnn1C ZINC000877468657 590333834 /nfs/dbraw/zinc/33/38/34/590333834.db2.gz MAWNNMGZCQHRFI-LBPRGKRZSA-N 1 0 234.347 2.049 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000877480407 590337188 /nfs/dbraw/zinc/33/71/88/590337188.db2.gz UWHSMAMQGDPBCN-HUUCEWRRSA-N 1 0 242.366 2.466 20 30 BEEDRO C#C[C@@H](C)[N@H+](C)Cc1cc(F)ccc1N(C)C ZINC000877479314 590337375 /nfs/dbraw/zinc/33/73/75/590337375.db2.gz ARUXVCIBGYCXQU-LLVKDONJSA-N 1 0 234.318 2.345 20 30 BEEDRO C#CCCCCCC[NH2+]CC1([S@@](C)=O)CC1 ZINC000877499822 590340985 /nfs/dbraw/zinc/34/09/85/590340985.db2.gz UNYHCVZIMGKRJV-MRXNPFEDSA-N 1 0 241.400 2.071 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1c(C)cccc1OC ZINC000877514944 590342776 /nfs/dbraw/zinc/34/27/76/590342776.db2.gz YLCKHKVYUMSMFT-NSHDSACASA-N 1 0 203.285 2.115 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1c(OC)cccc1OC)C(C)C ZINC000877513379 590343971 /nfs/dbraw/zinc/34/39/71/590343971.db2.gz TYIPHNLBZCHNKZ-CYBMUJFWSA-N 1 0 247.338 2.451 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccnn1CC1CCC1)C(C)C ZINC000877512985 590344036 /nfs/dbraw/zinc/34/40/36/590344036.db2.gz HULDAAHGRQWGRI-HNNXBMFYSA-N 1 0 245.370 2.431 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1nc2ccccc2nc1C ZINC000877513655 590344892 /nfs/dbraw/zinc/34/48/92/590344892.db2.gz BTNVQPBMYQQAJY-JTQLQIEISA-N 1 0 225.295 2.050 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000877522140 590346809 /nfs/dbraw/zinc/34/68/09/590346809.db2.gz NIIFMPCVYCUMIM-GFCCVEGCSA-N 1 0 215.300 2.231 20 30 BEEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@H](CO)CC1 ZINC000877554610 590356534 /nfs/dbraw/zinc/35/65/34/590356534.db2.gz KURCUJNZMYRLIG-STQMWFEESA-N 1 0 224.348 2.021 20 30 BEEDRO C#CCCCCCC[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000877567259 590362220 /nfs/dbraw/zinc/36/22/20/590362220.db2.gz HTRLTZADTALUMB-CABCVRRESA-N 1 0 234.387 2.206 20 30 BEEDRO C=CCC[C@H](CO)[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000877575109 590363274 /nfs/dbraw/zinc/36/32/74/590363274.db2.gz HLQUDHFKGZSPCN-DTWKUNHWSA-N 1 0 238.158 2.097 20 30 BEEDRO N#Cc1cnc(Cl)c(C[NH2+][C@@H]2CC23CC3)c1 ZINC000877597690 590370852 /nfs/dbraw/zinc/37/08/52/590370852.db2.gz UZLPASDKWOJZDB-SNVBAGLBSA-N 1 0 233.702 2.249 20 30 BEEDRO COc1cnc(F)c(C[NH2+][C@@H]2CC[C@H](C#N)C2)c1 ZINC000877597538 590371439 /nfs/dbraw/zinc/37/14/39/590371439.db2.gz PFMWJJNPKYQATA-GXSJLCMTSA-N 1 0 249.289 2.011 20 30 BEEDRO Cc1cc(C[NH2+]C2CSC2)ccc1C#N ZINC000877634787 590372776 /nfs/dbraw/zinc/37/27/76/590372776.db2.gz UGSMJVUNDCFRKQ-UHFFFAOYSA-N 1 0 218.325 2.072 20 30 BEEDRO C[C@H](CCC#N)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000877629542 590377994 /nfs/dbraw/zinc/37/79/94/590377994.db2.gz VEPBXHITUADZGU-NEPJUHHUSA-N 1 0 222.332 2.227 20 30 BEEDRO CC1(C#N)CCC([NH2+]C2CSC2)CC1 ZINC000877634513 590379790 /nfs/dbraw/zinc/37/97/90/590379790.db2.gz LNNWFLKSFKYFLK-UHFFFAOYSA-N 1 0 210.346 2.164 20 30 BEEDRO N#CC1(c2ccc(C[NH2+]C3CSC3)cc2)CC1 ZINC000877634393 590379898 /nfs/dbraw/zinc/37/98/98/590379898.db2.gz OIJOLUCULMBHDD-UHFFFAOYSA-N 1 0 244.363 2.447 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC12CCC2)C1CCOCC1 ZINC000877636197 590380859 /nfs/dbraw/zinc/38/08/59/590380859.db2.gz PRDVPOQRWFJWOP-UONOGXRCSA-N 1 0 233.355 2.337 20 30 BEEDRO C#C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCOCC1 ZINC000877637849 590381349 /nfs/dbraw/zinc/38/13/49/590381349.db2.gz NIGWROREQAEWSS-BVUBDWEXSA-N 1 0 247.382 2.441 20 30 BEEDRO CN(C)c1ccc(C#N)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877651182 590384810 /nfs/dbraw/zinc/38/48/10/590384810.db2.gz WJNAPWWQVOAJNB-BETUJISGSA-N 1 0 241.338 2.076 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc(C2CC2)no1 ZINC000877660204 590386626 /nfs/dbraw/zinc/38/66/26/590386626.db2.gz IMSKIWIFWNJPTJ-LBPRGKRZSA-N 1 0 248.326 2.070 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000877660198 590386765 /nfs/dbraw/zinc/38/67/65/590386765.db2.gz IISYSVCRBFJOQH-LXTVHRRPSA-N 1 0 235.371 2.441 20 30 BEEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000877661049 590386973 /nfs/dbraw/zinc/38/69/73/590386973.db2.gz WDWUUSMKWZXYAY-HBNTYKKESA-N 1 0 231.286 2.048 20 30 BEEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](CC(C)C)OC ZINC000877660607 590387237 /nfs/dbraw/zinc/38/72/37/590387237.db2.gz OEAOSYXSNPSAAW-KBPBESRZSA-N 1 0 241.375 2.066 20 30 BEEDRO C=C(Cl)C[C@H](NC[C@@H]1C[C@@H]1C)C(=O)OCC ZINC000877672081 590389040 /nfs/dbraw/zinc/38/90/40/590389040.db2.gz VXFFIFRKPPCVMI-LSJOCFKGSA-N 1 0 245.750 2.306 20 30 BEEDRO C=C(Cl)C[C@H](NC(C)C)C(=O)OCC ZINC000877672134 590389391 /nfs/dbraw/zinc/38/93/91/590389391.db2.gz WYXJGPQCZBVNIP-VIFPVBQESA-N 1 0 219.712 2.059 20 30 BEEDRO COC(C)(C)CC[NH2+]C[C@@H](C)CCC#N ZINC000877707804 590397092 /nfs/dbraw/zinc/39/70/92/590397092.db2.gz JAJGUTOUKKWRKK-NSHDSACASA-N 1 0 212.337 2.331 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+]C1CC(C(=O)OC)C1 ZINC000877722153 590401702 /nfs/dbraw/zinc/40/17/02/590401702.db2.gz KLTJPYSPVXJTNL-MOENNCHZSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(C(=O)OC)C2)C1 ZINC000877723002 590402224 /nfs/dbraw/zinc/40/22/24/590402224.db2.gz CFINHUMVNGDCBQ-CQLXCSJHSA-N 1 0 237.343 2.272 20 30 BEEDRO C#Cc1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)cc1 ZINC000877751584 590416004 /nfs/dbraw/zinc/41/60/04/590416004.db2.gz HHXHCDGIVBQVHL-HNNXBMFYSA-N 1 0 243.350 2.261 20 30 BEEDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(C#N)cc2)C1 ZINC000877752659 590416024 /nfs/dbraw/zinc/41/60/24/590416024.db2.gz HAIIRBRYPBYCFY-CQSZACIVSA-N 1 0 244.338 2.151 20 30 BEEDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000877766594 590420159 /nfs/dbraw/zinc/42/01/59/590420159.db2.gz GCVULQWPRGJAPI-WKPIXPDZSA-N 1 0 226.323 2.271 20 30 BEEDRO CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000877797178 590425213 /nfs/dbraw/zinc/42/52/13/590425213.db2.gz PSOLOYBXOGCADO-LLVKDONJSA-N 1 0 248.326 2.134 20 30 BEEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000877807900 590426376 /nfs/dbraw/zinc/42/63/76/590426376.db2.gz YQTXSDDWZPPMBY-MQYQWHSLSA-N 1 0 236.359 2.473 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H](OC)C2CC2)CC1 ZINC000877834048 590430601 /nfs/dbraw/zinc/43/06/01/590430601.db2.gz NQZYHSDIFJHQFR-UBHSHLNASA-N 1 0 221.344 2.193 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCN(CC(F)(F)F)CC1 ZINC000877895783 590441939 /nfs/dbraw/zinc/44/19/39/590441939.db2.gz JUVHJHIJUNWTFV-SNVBAGLBSA-N 1 0 236.281 2.131 20 30 BEEDRO CC(C)[C@H](O)CC[N@H+](C)Cc1ccc(C#N)cc1 ZINC000877917219 590446557 /nfs/dbraw/zinc/44/65/57/590446557.db2.gz RATJYDOXUVCFBG-OAHLLOKOSA-N 1 0 246.354 2.397 20 30 BEEDRO C=CC[C@@H](C(=O)OC)[N@H+](C)CC(C)(C)C ZINC000878038915 590476861 /nfs/dbraw/zinc/47/68/61/590476861.db2.gz SVOORWPMPVGZML-JTQLQIEISA-N 1 0 213.321 2.082 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000878046298 590480353 /nfs/dbraw/zinc/48/03/53/590480353.db2.gz WABYOTNRLYYDOB-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@H](C)[N@@H+](C)Cc1cnn(CC)c1 ZINC000878106284 590494793 /nfs/dbraw/zinc/49/47/93/590494793.db2.gz GHVDHPKPOWSAJN-NSHDSACASA-N 1 0 207.321 2.299 20 30 BEEDRO C=CC[C@@H](C)[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000878106513 590494972 /nfs/dbraw/zinc/49/49/72/590494972.db2.gz HCVFALOLKIWGGS-VXGBXAGGSA-N 1 0 237.343 2.226 20 30 BEEDRO CC(C)[C@@H](O)CCN(CC#N)C1CCCC1 ZINC000878120442 590498721 /nfs/dbraw/zinc/49/87/21/590498721.db2.gz LIEZYHZGRICOCM-ZDUSSCGKSA-N 1 0 224.348 2.162 20 30 BEEDRO C#CCCCCC[N@@H+](CCCCO)C1CC1 ZINC000878124491 590500258 /nfs/dbraw/zinc/50/02/58/590500258.db2.gz IREAUNIGTOHCTP-UHFFFAOYSA-N 1 0 223.360 2.417 20 30 BEEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CCO[C@@H]1C ZINC000878122460 590500750 /nfs/dbraw/zinc/50/07/50/590500750.db2.gz ZVUFJYKWGICGJQ-CHWSQXEVSA-N 1 0 224.348 2.283 20 30 BEEDRO C=CCCCCC[N@@H+](C)C[C@@H](O)CC(C)(C)O ZINC000878124732 590500884 /nfs/dbraw/zinc/50/08/84/590500884.db2.gz IRMVIOGKFMFQSO-ZDUSSCGKSA-N 1 0 243.391 2.187 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878125991 590501128 /nfs/dbraw/zinc/50/11/28/590501128.db2.gz SOKPEHBVQHTWAX-UONOGXRCSA-N 1 0 222.376 2.369 20 30 BEEDRO C=CC[C@H](C)[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000878164710 590511866 /nfs/dbraw/zinc/51/18/66/590511866.db2.gz MZONJPZVUTUBHC-GXTWGEPZSA-N 1 0 239.359 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/nfs/dbraw/zinc/91/57/09/590915709.db2.gz JTLZGLQWPKMKOR-IUCAKERBSA-N 1 0 223.238 2.214 20 30 BEEDRO C=CCCCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880166834 590948411 /nfs/dbraw/zinc/94/84/11/590948411.db2.gz DWSIPAHEXVPIGW-UHFFFAOYSA-N 1 0 236.359 2.087 20 30 BEEDRO C=C(C)C[NH2+][C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000880225795 590960465 /nfs/dbraw/zinc/96/04/65/590960465.db2.gz XFGNCHSZYWFWOV-OKILXGFUSA-N 1 0 217.312 2.202 20 30 BEEDRO C=CC[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000880329545 591006476 /nfs/dbraw/zinc/00/64/76/591006476.db2.gz XXCLXKLKDRXYFD-OBJOEFQTSA-N 1 0 237.343 2.226 20 30 BEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CC#Cc1ccc(F)cc1 ZINC000880441809 591043541 /nfs/dbraw/zinc/04/35/41/591043541.db2.gz HVCBVPOBRHLYDB-IUODEOHRSA-N 1 0 247.313 2.022 20 30 BEEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1Cc1ccc(C#N)cc1F ZINC000880441624 591044445 /nfs/dbraw/zinc/04/44/45/591044445.db2.gz ZVILDSDPLLMGTI-ZWNOBZJWSA-N 1 0 248.301 2.043 20 30 BEEDRO N#CCCC[NH+]1CCC2(CCCCO2)CC1 ZINC000880455123 591049079 /nfs/dbraw/zinc/04/90/79/591049079.db2.gz UGWMXRPZSCYEAT-UHFFFAOYSA-N 1 0 222.332 2.325 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000880467870 591052510 /nfs/dbraw/zinc/05/25/10/591052510.db2.gz KSRUEVHFUPTWAB-IHRRRGAJSA-N 1 0 241.375 2.108 20 30 BEEDRO CCC#C[C@@H](C)N1CCC(C)([NH+]2CCC2)CC1 ZINC000880473977 591053361 /nfs/dbraw/zinc/05/33/61/591053361.db2.gz RTCAGLZEXLPYHW-CQSZACIVSA-N 1 0 234.387 2.349 20 30 BEEDRO C#CCC1(O)CC[NH+](Cc2cccc(F)c2)CC1 ZINC000880477387 591054847 /nfs/dbraw/zinc/05/48/47/591054847.db2.gz QBTWGGVEWYDFOO-UHFFFAOYSA-N 1 0 247.313 2.176 20 30 BEEDRO C#CCC1(O)CC[NH+]([C@@H](C)CCC)CC1 ZINC000880483369 591057325 /nfs/dbraw/zinc/05/73/25/591057325.db2.gz AHBNGYZPGXKKND-LBPRGKRZSA-N 1 0 209.333 2.025 20 30 BEEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@]23CCCO3)C1 ZINC000880516358 591083999 /nfs/dbraw/zinc/08/39/99/591083999.db2.gz RNGGXHJJXLWKOF-SYQHCUMBSA-N 1 0 234.343 2.370 20 30 BEEDRO C#CC[N@@H+]1CCCC[C@H](C2CCOCC2)C1 ZINC000880573897 591098447 /nfs/dbraw/zinc/09/84/47/591098447.db2.gz FBZSVZXYWGKFPB-AWEZNQCLSA-N 1 0 221.344 2.148 20 30 BEEDRO C=C1CCC(C(=O)Nc2ccncc2C)CC1 ZINC000888851941 591154136 /nfs/dbraw/zinc/15/41/36/591154136.db2.gz AXVXRLKSQOAJBQ-UHFFFAOYSA-N 1 0 230.311 2.497 20 30 BEEDRO Cc1ccc(NCC(C)(C)C[NH+](C)C)c(C#N)n1 ZINC000881743168 591268692 /nfs/dbraw/zinc/26/86/92/591268692.db2.gz IOCUEAMGZQEPBV-UHFFFAOYSA-N 1 0 246.358 2.261 20 30 BEEDRO CCCC[N@H+](C)CCNc1ccc(C)nc1C#N ZINC000881975816 591284671 /nfs/dbraw/zinc/28/46/71/591284671.db2.gz DSZKKKYBXWOHAI-UHFFFAOYSA-N 1 0 246.358 2.406 20 30 BEEDRO CC(C)c1c[nH]c(C[NH2+]CCCCC#N)n1 ZINC000882979431 591490844 /nfs/dbraw/zinc/49/08/44/591490844.db2.gz ZWKWCGCAHLHZKZ-UHFFFAOYSA-N 1 0 220.320 2.317 20 30 BEEDRO C=C(C)C[C@H](CO)Nc1cc[nH+]c(C)c1Cl ZINC000883006147 591506892 /nfs/dbraw/zinc/50/68/92/591506892.db2.gz KNNKSKDWTRHRQE-SNVBAGLBSA-N 1 0 240.734 2.204 20 30 BEEDRO C#CCCCC[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000130744497 591514209 /nfs/dbraw/zinc/51/42/09/591514209.db2.gz SJWSQPXKQZEZRU-STQMWFEESA-N 1 0 209.333 2.195 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC000883083076 591536986 /nfs/dbraw/zinc/53/69/86/591536986.db2.gz ZFTCBAJKHMZVKD-RQJABVFESA-N 1 0 223.360 2.339 20 30 BEEDRO C=CCC[C@@H]([NH2+]CCF)[C@H]1CCCO1 ZINC000883221327 591576337 /nfs/dbraw/zinc/57/63/37/591576337.db2.gz YZQOEZAINMSBTI-GHMZBOCLSA-N 1 0 201.285 2.059 20 30 BEEDRO C=CCN(CC=C)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000130998178 591541142 /nfs/dbraw/zinc/54/11/42/591541142.db2.gz PFHVGRCLDSWXEJ-UHFFFAOYSA-N 1 0 242.322 2.104 20 30 BEEDRO C#Cc1ccc(C[NH2+][C@@H]2CO[C@@H](CC)C2)cc1 ZINC000883132495 591546984 /nfs/dbraw/zinc/54/69/84/591546984.db2.gz SWFAABSZMDAJLW-GJZGRUSLSA-N 1 0 229.323 2.325 20 30 BEEDRO C=CCC[C@H]([NH2+]C[C@](C)(O)CC)[C@@H]1CCCO1 ZINC000883187410 591566308 /nfs/dbraw/zinc/56/63/08/591566308.db2.gz NNDJZPKOSLMZII-MELADBBJSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]Cc1cc[nH]n1)[C@@H]1CCCO1 ZINC000883187449 591566328 /nfs/dbraw/zinc/56/63/28/591566328.db2.gz OHOGFKZMODVYER-STQMWFEESA-N 1 0 235.331 2.013 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cc(C)n[nH]1)[C@@H]1CCCO1 ZINC000883190624 591568395 /nfs/dbraw/zinc/56/83/95/591568395.db2.gz IVKVHYGRLHGEDD-KGLIPLIRSA-N 1 0 249.358 2.322 20 30 BEEDRO C=CCC[C@H]([NH2+][C@H](C)CCCO)[C@H]1CCCO1 ZINC000883197114 591569287 /nfs/dbraw/zinc/56/92/87/591569287.db2.gz CLYINGMYOVAVCS-HZSPNIEDSA-N 1 0 241.375 2.251 20 30 BEEDRO C=CCC[C@H]([NH2+]CCCF)[C@@H]1CCCO1 ZINC000883208073 591573614 /nfs/dbraw/zinc/57/36/14/591573614.db2.gz YSEUNCNCBUNVDZ-RYUDHWBXSA-N 1 0 215.312 2.449 20 30 BEEDRO C=CCC[C@@H]([NH2+]CC(C)(C)CO)[C@H]1CCCO1 ZINC000883208087 591574552 /nfs/dbraw/zinc/57/45/52/591574552.db2.gz ZCWLILCDSYSFSJ-CHWSQXEVSA-N 1 0 241.375 2.108 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCCC2(CC2)C1)[C@H]1CCCO1 ZINC000883218232 591576351 /nfs/dbraw/zinc/57/63/51/591576351.db2.gz WRIUNJAFFZQDFE-MELADBBJSA-N 1 0 233.355 2.480 20 30 BEEDRO C=CCC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)[C@@H]1CCCO1 ZINC000883229437 591580377 /nfs/dbraw/zinc/58/03/77/591580377.db2.gz JOURWXSFJQUIBO-MQYQWHSLSA-N 1 0 239.359 2.003 20 30 BEEDRO C=CCC[C@H](C)[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883276366 591605615 /nfs/dbraw/zinc/60/56/15/591605615.db2.gz KJVSUPKDIZAYNZ-JSGCOSHPSA-N 1 0 237.343 2.375 20 30 BEEDRO C#CC1([NH2+]C[C@@H]2CCSC2)CCCC1 ZINC000883362749 591628838 /nfs/dbraw/zinc/62/88/38/591628838.db2.gz MXKFONLCRLBOKO-NSHDSACASA-N 1 0 209.358 2.275 20 30 BEEDRO C#CC1(NCc2cn(C)nc2Cl)CCCC1 ZINC000883362235 591630329 /nfs/dbraw/zinc/63/03/29/591630329.db2.gz XQWWWBLYTUFJKZ-UHFFFAOYSA-N 1 0 237.734 2.109 20 30 BEEDRO C#CC1([NH2+]Cc2cc(C)ns2)CCCC1 ZINC000883361379 591631251 /nfs/dbraw/zinc/63/12/51/591631251.db2.gz BEFDVWNOEODMRF-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000883389810 591635691 /nfs/dbraw/zinc/63/56/91/591635691.db2.gz YZMFLHVUGWRGIZ-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C1CCSCC1 ZINC000883391272 591637499 /nfs/dbraw/zinc/63/74/99/591637499.db2.gz HDPYANRRDFZFLO-WCQYABFASA-N 1 0 243.416 2.435 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCC12CCC2 ZINC000883391356 591638097 /nfs/dbraw/zinc/63/80/97/591638097.db2.gz IOFLUTGLESIRPS-VXGBXAGGSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000883391430 591638354 /nfs/dbraw/zinc/63/83/54/591638354.db2.gz KAZWVWDOBJUHMJ-WUHRBBMRSA-N 1 0 209.333 2.092 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]C1CCC(C)CC1 ZINC000883389543 591641175 /nfs/dbraw/zinc/64/11/75/591641175.db2.gz SYMUSGVJTBOWQO-WXRRBKDZSA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]1C ZINC000883389552 591641235 /nfs/dbraw/zinc/64/12/35/591641235.db2.gz TXFOVZIQLOVDTK-JHJVBQTASA-N 1 0 211.349 2.482 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cncc(F)c1 ZINC000883389980 591641450 /nfs/dbraw/zinc/64/14/50/591641450.db2.gz CKFAIRJMSQNWPM-GWCFXTLKSA-N 1 0 238.306 2.198 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000883390263 591641680 /nfs/dbraw/zinc/64/16/80/591641680.db2.gz IRIDDLMBNUVSJD-VXGBXAGGSA-N 1 0 235.327 2.370 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CC1CCOCC1 ZINC000883390664 591642901 /nfs/dbraw/zinc/64/29/01/591642901.db2.gz RBTCXBOVDZGYRW-JSGCOSHPSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000883391207 591644099 /nfs/dbraw/zinc/64/40/99/591644099.db2.gz GDCPVZKNFWDOJQ-FRRDWIJNSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)[C@H]1C[C@H]1C ZINC000883392796 591644852 /nfs/dbraw/zinc/64/48/52/591644852.db2.gz OUHSHXBMVFEEKW-FVCCEPFGSA-N 1 0 211.349 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCCSCC1 ZINC000883392499 591644576 /nfs/dbraw/zinc/64/45/76/591644576.db2.gz JCFMEMVSUURUOL-VXGBXAGGSA-N 1 0 229.389 2.189 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](CC)c1ccncc1 ZINC000883392641 591644939 /nfs/dbraw/zinc/64/49/39/591644939.db2.gz LQYKANMIBIMNHB-UONOGXRCSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H](CC)c1ccncc1 ZINC000883392642 591645281 /nfs/dbraw/zinc/64/52/81/591645281.db2.gz LQYKANMIBIMNHB-ZIAGYGMSSA-N 1 0 234.343 2.449 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000883393167 591645333 /nfs/dbraw/zinc/64/53/33/591645333.db2.gz WYFYTSVALJRVTH-GHYVTOPFSA-N 1 0 223.360 2.338 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000883392879 591645407 /nfs/dbraw/zinc/64/54/07/591645407.db2.gz PYYIYWLVVOFBQJ-MJBXVCDLSA-N 1 0 241.375 2.108 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cc(C)oc1C ZINC000883399999 591646346 /nfs/dbraw/zinc/64/63/46/591646346.db2.gz BDAZDJGUCFGVES-CYBMUJFWSA-N 1 0 223.316 2.313 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1sc(C)nc1C ZINC000883400755 591647217 /nfs/dbraw/zinc/64/72/17/591647217.db2.gz UOLHSAVFZVHWMD-LLVKDONJSA-N 1 0 240.372 2.177 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C)cc1OC ZINC000883400851 591647523 /nfs/dbraw/zinc/64/75/23/591647523.db2.gz WSKYRJSIQNCQBP-CQSZACIVSA-N 1 0 249.354 2.420 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000883400570 591647592 /nfs/dbraw/zinc/64/75/92/591647592.db2.gz PZVGWUGXGAOHLK-NSHDSACASA-N 1 0 236.340 2.036 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000883400778 591647646 /nfs/dbraw/zinc/64/76/46/591647646.db2.gz VDGBCVMPTOEKTK-ZDUSSCGKSA-N 1 0 248.301 2.114 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cccc(COC)c1 ZINC000883400784 591647680 /nfs/dbraw/zinc/64/76/80/591647680.db2.gz VFCQMYUGZSBDOR-HNNXBMFYSA-N 1 0 249.354 2.250 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccc(C)o1 ZINC000883401709 591648460 /nfs/dbraw/zinc/64/84/60/591648460.db2.gz VXZXLBFQCLTZCG-LLVKDONJSA-N 1 0 209.289 2.005 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccccc1C ZINC000883401179 591649032 /nfs/dbraw/zinc/64/90/32/591649032.db2.gz FFVATQMLTMGWEV-CQSZACIVSA-N 1 0 219.328 2.412 20 30 BEEDRO C=CC[C@H](C)Nc1ccc(OCC[NH3+])cc1 ZINC000883424910 591652812 /nfs/dbraw/zinc/65/28/12/591652812.db2.gz GZDSDDSBVPMVMV-NSHDSACASA-N 1 0 220.316 2.401 20 30 BEEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H](C)O)cc1 ZINC000132358185 591702952 /nfs/dbraw/zinc/70/29/52/591702952.db2.gz SRGHCLKKZZGOJX-QWRGUYRKSA-N 1 0 249.358 2.308 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@@H](OCC)C1(CC)CC ZINC000132681485 591730447 /nfs/dbraw/zinc/73/04/47/591730447.db2.gz NFXUWTSZBFVIJM-NWDGAFQWSA-N 1 0 209.333 2.193 20 30 BEEDRO C#CC[NH2+][C@H]1C[C@H](OCC)C1(CC)CC ZINC000132681049 591730941 /nfs/dbraw/zinc/73/09/41/591730941.db2.gz NFXUWTSZBFVIJM-RYUDHWBXSA-N 1 0 209.333 2.193 20 30 BEEDRO C=C(C[NH2+][C@@H](C)CCO)c1ccccc1 ZINC000132965423 591751978 /nfs/dbraw/zinc/75/19/78/591751978.db2.gz LMEPFHNSRXGJQU-LBPRGKRZSA-N 1 0 205.301 2.060 20 30 BEEDRO C=CC(C)(C)CC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000884026465 591808757 /nfs/dbraw/zinc/80/87/57/591808757.db2.gz DYRHKQIEUHQPEW-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC(C)(C)CC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000884026357 591809290 /nfs/dbraw/zinc/80/92/90/591809290.db2.gz AVMMTYDIWFILSD-CYBMUJFWSA-N 1 0 246.354 2.405 20 30 BEEDRO C=CC(C)(C)CC(=O)NCc1ccc(C[NH3+])cc1 ZINC000884375870 591919538 /nfs/dbraw/zinc/91/95/38/591919538.db2.gz OALJYOJKJWSYEV-UHFFFAOYSA-N 1 0 246.354 2.364 20 30 BEEDRO C=CCCCCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000884389725 591923123 /nfs/dbraw/zinc/92/31/23/591923123.db2.gz FEZSAOYZAKCOCQ-LBPRGKRZSA-N 1 0 238.375 2.095 20 30 BEEDRO C=CCCCCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000884389724 591923762 /nfs/dbraw/zinc/92/37/62/591923762.db2.gz FEZSAOYZAKCOCQ-GFCCVEGCSA-N 1 0 238.375 2.095 20 30 BEEDRO C#CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000884613534 591994598 /nfs/dbraw/zinc/99/45/98/591994598.db2.gz OQOGRIZKOZPURS-HNNXBMFYSA-N 1 0 239.322 2.068 20 30 BEEDRO C=C(C)C[N@H+](CC)C[C@@H]1C[C@]12CCOC2 ZINC000885944808 592113189 /nfs/dbraw/zinc/11/31/89/592113189.db2.gz VENUYNZRXWDLAI-STQMWFEESA-N 1 0 209.333 2.311 20 30 BEEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCC1)CC(C)(C)C ZINC000885981841 592120590 /nfs/dbraw/zinc/12/05/90/592120590.db2.gz 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ZINC000886144854 592158057 /nfs/dbraw/zinc/15/80/57/592158057.db2.gz IUEORMOBINHHPM-LBPRGKRZSA-N 1 0 209.333 2.454 20 30 BEEDRO N#CCC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886123381 592158336 /nfs/dbraw/zinc/15/83/36/592158336.db2.gz XUSBQFUOYPFYHT-KGLIPLIRSA-N 1 0 234.343 2.039 20 30 BEEDRO C[C@]1(C#N)CCC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886125644 592158726 /nfs/dbraw/zinc/15/87/26/592158726.db2.gz XTARNOMDHFBJNX-MJBXVCDLSA-N 1 0 234.343 2.039 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C/C=C\c1cccc(F)c1 ZINC000886153522 592164137 /nfs/dbraw/zinc/16/41/37/592164137.db2.gz JAPPDUKCKBPQQQ-ZQMJAJRESA-N 1 0 247.313 2.203 20 30 BEEDRO C=CC[N@H+](CCOC)CCOC1CCCCC1 ZINC000886168434 592167504 /nfs/dbraw/zinc/16/75/04/592167504.db2.gz QOTFDOQRJZOYNS-UHFFFAOYSA-N 1 0 241.375 2.470 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)C1 ZINC000886208999 592176483 /nfs/dbraw/zinc/17/64/83/592176483.db2.gz CCIMKOIVUVLDBN-OJLVUWQFSA-N 1 0 246.398 2.108 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC000886212671 592177370 /nfs/dbraw/zinc/17/73/70/592177370.db2.gz CKTHHQJXNNEXMQ-MRXNPFEDSA-N 1 0 242.366 2.182 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]C2CCCCC2)C1 ZINC000886213048 592177403 /nfs/dbraw/zinc/17/74/03/592177403.db2.gz LCBBJVWUYAXXPU-AWEZNQCLSA-N 1 0 220.360 2.006 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+]C2CCCCC2)C1 ZINC000886213049 592177446 /nfs/dbraw/zinc/17/74/46/592177446.db2.gz LCBBJVWUYAXXPU-CQSZACIVSA-N 1 0 220.360 2.006 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+]Cc2cc(C)oc2C)C1 ZINC000886210936 592177553 /nfs/dbraw/zinc/17/75/53/592177553.db2.gz FOWSVXUNKLXWOX-HNNXBMFYSA-N 1 0 246.354 2.084 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)CC(C)C)C1 ZINC000886211566 592177665 /nfs/dbraw/zinc/17/76/65/592177665.db2.gz SFRYKUMNYZGOKX-KBPBESRZSA-N 1 0 222.376 2.108 20 30 BEEDRO CN(C[C@@H]1CC[C@@H](C2CC2)O1)CC(C)(C)C#N ZINC000886217612 592179145 /nfs/dbraw/zinc/17/91/45/592179145.db2.gz DFUFSTLQJLGMMC-STQMWFEESA-N 1 0 236.359 2.426 20 30 BEEDRO CC#CC[N@H+](C)CCSC(F)(F)F ZINC000886220698 592179985 /nfs/dbraw/zinc/17/99/85/592179985.db2.gz LSGKJWACNIDYPX-UHFFFAOYSA-N 1 0 211.252 2.195 20 30 BEEDRO CC1(C)CC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000886228886 592181079 /nfs/dbraw/zinc/18/10/79/592181079.db2.gz HKEMGILZJJGUQV-NWDGAFQWSA-N 1 0 236.359 2.209 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(F)F)C1 ZINC000886277053 592192423 /nfs/dbraw/zinc/19/24/23/592192423.db2.gz FNZFVIGYIZEQOE-ZYHUDNBSSA-N 1 0 233.302 2.291 20 30 BEEDRO C#CCC[N@@H+](CCOC)CC[C@@H]1C[C@H]1C1CC1 ZINC000886286848 592200885 /nfs/dbraw/zinc/20/08/85/592200885.db2.gz FAHUZUNAKIKLOU-CABCVRRESA-N 1 0 235.371 2.394 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](CCCC)C(=O)OC)C1 ZINC000886357872 592215706 /nfs/dbraw/zinc/21/57/06/592215706.db2.gz MXBSWBPBSYUSGX-OLZOCXBDSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCOC(C)C)C1 ZINC000886357353 592215813 /nfs/dbraw/zinc/21/58/13/592215813.db2.gz FUGAJRSLZGYIQU-CYBMUJFWSA-N 1 0 209.333 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)OCCCC)C1 ZINC000886357063 592216161 /nfs/dbraw/zinc/21/61/61/592216161.db2.gz ALBSOFIZAANDJT-QWHCGFSZSA-N 1 0 237.343 2.063 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCCCCCO)C1 ZINC000886357392 592216209 /nfs/dbraw/zinc/21/62/09/592216209.db2.gz GHISMBRJJDKLDD-CQSZACIVSA-N 1 0 223.360 2.274 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2ccncc2)C1 ZINC000886358000 592216610 /nfs/dbraw/zinc/21/66/10/592216610.db2.gz OALGZYIYBUDOPU-STQMWFEESA-N 1 0 214.312 2.488 20 30 BEEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)c2nnc(C)s2)C1 ZINC000886364247 592218029 /nfs/dbraw/zinc/21/80/29/592218029.db2.gz UHEAIBLTEKMBRF-ONGXEEELSA-N 1 0 235.356 2.253 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CCOCC(C)C)C1 ZINC000886363925 592218848 /nfs/dbraw/zinc/21/88/48/592218848.db2.gz ISCYTVKIPKCRNF-ZDUSSCGKSA-N 1 0 209.333 2.004 20 30 BEEDRO C#CC[C@@H]1CC[N@@H+](CCCSCCOC)C1 ZINC000886364219 592218965 /nfs/dbraw/zinc/21/89/65/592218965.db2.gz SPQOBBPVNQMKKJ-CYBMUJFWSA-N 1 0 241.400 2.101 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](OC)C2CCC2)C1 ZINC000886365299 592219125 /nfs/dbraw/zinc/21/91/25/592219125.db2.gz FPYFQBAHUHCQMY-GXTWGEPZSA-N 1 0 221.344 2.147 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](CCc2cscn2)C1 ZINC000886365289 592219519 /nfs/dbraw/zinc/21/95/19/592219519.db2.gz FMHIPWIOLUAEPP-LLVKDONJSA-N 1 0 220.341 2.031 20 30 BEEDRO C#CC[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000886365695 592219619 /nfs/dbraw/zinc/21/96/19/592219619.db2.gz NZEOUWVCOVCXKW-UONOGXRCSA-N 1 0 221.344 2.148 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@H]2CCC3(CCC3)O2)C1 ZINC000886365142 592219759 /nfs/dbraw/zinc/21/97/59/592219759.db2.gz AQECEGQEWILAMT-ZIAGYGMSSA-N 1 0 233.355 2.433 20 30 BEEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](C3CC3)O2)C1 ZINC000886365812 592220233 /nfs/dbraw/zinc/22/02/33/592220233.db2.gz PZZBKNWLAWQEPQ-VHDGCEQUSA-N 1 0 233.355 2.289 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(C)o2)CCOCC1 ZINC000886381532 592221237 /nfs/dbraw/zinc/22/12/37/592221237.db2.gz HICIGRCAGIWLLJ-UHFFFAOYSA-N 1 0 233.311 2.250 20 30 BEEDRO C#CCC1([NH2+]Cc2ccccc2F)CCOCC1 ZINC000886384449 592221656 /nfs/dbraw/zinc/22/16/56/592221656.db2.gz RUOSMVPVYWSOQZ-UHFFFAOYSA-N 1 0 247.313 2.488 20 30 BEEDRO C#CCC1([NH2+]Cc2cccc(F)c2)CCOCC1 ZINC000886384007 592222258 /nfs/dbraw/zinc/22/22/58/592222258.db2.gz BIRYYKFMLGAKDO-UHFFFAOYSA-N 1 0 247.313 2.488 20 30 BEEDRO C=CCCn1cc(C[NH2+]C2(C3CC3)CCC2)nn1 ZINC000886389299 592222515 /nfs/dbraw/zinc/22/25/15/592222515.db2.gz CQIZQIHVSBQNPH-UHFFFAOYSA-N 1 0 246.358 2.277 20 30 BEEDRO C#CCCC[NH2+][C@H](c1cnn(C)c1)C(C)C ZINC000886535121 592251108 /nfs/dbraw/zinc/25/11/08/592251108.db2.gz VDJYWMAXDYESBW-ZDUSSCGKSA-N 1 0 219.332 2.120 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568909 592260771 /nfs/dbraw/zinc/26/07/71/592260771.db2.gz ZVTOLOZZVQHQNM-UTUOFQBUSA-N 1 0 209.358 2.083 20 30 BEEDRO C=CC[C@H](CC)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886604981 592273802 /nfs/dbraw/zinc/27/38/02/592273802.db2.gz HHHRUDHTOYTIKM-SRVKXCTJSA-N 1 0 225.332 2.272 20 30 BEEDRO C=CCC[NH2+][C@@H](C)c1cncc(C(=O)OC)c1 ZINC000886636709 592286206 /nfs/dbraw/zinc/28/62/06/592286206.db2.gz SRKZLVWQXLJEPY-JTQLQIEISA-N 1 0 234.299 2.095 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2ccsc2)C1 ZINC000886659074 592292948 /nfs/dbraw/zinc/29/29/48/592292948.db2.gz BTGQMDLVTLWPSD-JSGCOSHPSA-N 1 0 248.395 2.496 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)C2CCCC2)C1 ZINC000886660774 592293108 /nfs/dbraw/zinc/29/31/08/592293108.db2.gz FVJWLVQFMWAGNM-ZFWWWQNUSA-N 1 0 234.387 2.252 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)[C@H](C)CC=C)C1 ZINC000886660842 592293288 /nfs/dbraw/zinc/29/32/88/592293288.db2.gz HHEOVMCOPMXQHQ-ILXRZTDVSA-N 1 0 234.387 2.274 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCC23CCCC3)C1 ZINC000886663341 592294352 /nfs/dbraw/zinc/29/43/52/592294352.db2.gz YQWVHCVRYUENAG-GJZGRUSLSA-N 1 0 246.398 2.396 20 30 BEEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCCC23CC3)C1 ZINC000886664735 592294731 /nfs/dbraw/zinc/29/47/31/592294731.db2.gz WMCJGSCAWXSFOU-KBPBESRZSA-N 1 0 232.371 2.006 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2ccoc2)C1 ZINC000886661298 592295098 /nfs/dbraw/zinc/29/50/98/592295098.db2.gz QYLUSSPBAAVZMB-TZMCWYRMSA-N 1 0 232.327 2.028 20 30 BEEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccoc2)C1 ZINC000886661295 592295326 /nfs/dbraw/zinc/29/53/26/592295326.db2.gz QYLUSSPBAAVZMB-GXTWGEPZSA-N 1 0 232.327 2.028 20 30 BEEDRO C#CCCC[NH+]1CCC(C(=O)OC(C)C)CC1 ZINC000886728616 592311351 /nfs/dbraw/zinc/31/13/51/592311351.db2.gz AGKFJYUDOZMXFJ-UHFFFAOYSA-N 1 0 237.343 2.063 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000886727180 592311637 /nfs/dbraw/zinc/31/16/37/592311637.db2.gz KTVDYDOFQONBKZ-RWMBFGLXSA-N 1 0 222.332 2.227 20 30 BEEDRO C=CCC1(O)CC[NH+](Cc2ccc(C)cn2)CC1 ZINC000886774881 592319484 /nfs/dbraw/zinc/31/94/84/592319484.db2.gz XHVKFMQRODBOFI-UHFFFAOYSA-N 1 0 246.354 2.293 20 30 BEEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000886808869 592335321 /nfs/dbraw/zinc/33/53/21/592335321.db2.gz QVSLMJIFTDXCHZ-GHMZBOCLSA-N 1 0 249.276 2.035 20 30 BEEDRO N#C[C@@H]1CC[C@H]([N@@H+]2CC[C@H]([C@@H]3CCCO3)C2)C1 ZINC000886818629 592340246 /nfs/dbraw/zinc/34/02/46/592340246.db2.gz HNKZDESPJHKYMH-RFGFWPKPSA-N 1 0 234.343 2.180 20 30 BEEDRO C=C(C)CC[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886818472 592340573 /nfs/dbraw/zinc/34/05/73/592340573.db2.gz FVZBZRSVUVKOGD-QWHCGFSZSA-N 1 0 209.333 2.454 20 30 BEEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886819133 592342240 /nfs/dbraw/zinc/34/22/40/592342240.db2.gz OMSFFMRVFWMXOW-CHWSQXEVSA-N 1 0 236.359 2.427 20 30 BEEDRO N#CCC1(C[N@@H+]2CC[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000886819769 592345611 /nfs/dbraw/zinc/34/56/11/592345611.db2.gz WYVUYBVJQXHMMF-CHWSQXEVSA-N 1 0 234.343 2.181 20 30 BEEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCCF ZINC000887137595 592451083 /nfs/dbraw/zinc/45/10/83/592451083.db2.gz NQWVYNURNAEOIG-GFCCVEGCSA-N 1 0 244.354 2.091 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+]C1(C2CC2)CCC1 ZINC000887146048 592461018 /nfs/dbraw/zinc/46/10/18/592461018.db2.gz CVLYCQUIMOQNCT-GFCCVEGCSA-N 1 0 209.333 2.236 20 30 BEEDRO C=C(Cl)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000222094990 592467654 /nfs/dbraw/zinc/46/76/54/592467654.db2.gz UHBYNHQEJBBFJR-GXSJLCMTSA-N 1 0 216.756 2.059 20 30 BEEDRO C#C[C@H]([NH2+][C@H]1CCC[C@H](OC)C1)C(C)C ZINC000300996888 592527112 /nfs/dbraw/zinc/52/71/12/592527112.db2.gz WLHNQWQBXDGRIE-AVGNSLFASA-N 1 0 209.333 2.191 20 30 BEEDRO C=CCCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000302344942 592546838 /nfs/dbraw/zinc/54/68/38/592546838.db2.gz IBLCMWBFVHJPJV-CYBMUJFWSA-N 1 0 239.359 2.270 20 30 BEEDRO COc1ccc([C@@H](C)[NH2+]CCO[C@@H](C)C#N)cc1 ZINC000302365203 592547067 /nfs/dbraw/zinc/54/70/67/592547067.db2.gz KHTBJZUEZUMAIL-NWDGAFQWSA-N 1 0 248.326 2.274 20 30 BEEDRO CCCCCCCCN1CCO[C@H](C[NH3+])C1 ZINC000104694439 592621052 /nfs/dbraw/zinc/62/10/52/592621052.db2.gz WFRVMRDYMGPDOC-CYBMUJFWSA-N 1 0 228.380 2.006 20 30 BEEDRO C=CC[C@@H](C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000187304624 592706602 /nfs/dbraw/zinc/70/66/02/592706602.db2.gz 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632119694 /nfs/dbraw/zinc/11/96/94/632119694.db2.gz RHOCSQVZYZFEOZ-WDEREUQCSA-N 1 0 234.347 2.476 20 30 BEEDRO C=CCC[C@@H](CC)[NH2+][C@H](C)CN1CCOCC1 ZINC000156819103 632403644 /nfs/dbraw/zinc/40/36/44/632403644.db2.gz VKONCSCTNMVXDH-ZIAGYGMSSA-N 1 0 240.391 2.042 20 30 BEEDRO C=C(Cl)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000245553245 632405567 /nfs/dbraw/zinc/40/55/67/632405567.db2.gz RBRDMGSOEAEFIC-WDEREUQCSA-N 1 0 217.740 2.222 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)Cc1ccccn1 ZINC000926531043 632446597 /nfs/dbraw/zinc/44/65/97/632446597.db2.gz KPKXWXHZNGPRSK-CFVMTHIKSA-N 1 0 246.354 2.336 20 30 BEEDRO CC#CCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000158437470 632470777 /nfs/dbraw/zinc/47/07/77/632470777.db2.gz PJSOGUWMQCBUMW-GFCCVEGCSA-N 1 0 239.265 2.001 20 30 BEEDRO CCOC(C)(C)C[NH2+]CC#Cc1ccccc1 ZINC000159351850 632517767 /nfs/dbraw/zinc/51/77/67/632517767.db2.gz HZTCFHGPJFTWDQ-UHFFFAOYSA-N 1 0 231.339 2.443 20 30 BEEDRO C#C[C@H]([NH2+]CCc1cccs1)[C@@H]1CCCO1 ZINC000309591062 632550703 /nfs/dbraw/zinc/55/07/03/632550703.db2.gz ZGNRMAJXEJPYHG-STQMWFEESA-N 1 0 235.352 2.061 20 30 BEEDRO C#CCCC[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000308968272 632598386 /nfs/dbraw/zinc/59/83/86/632598386.db2.gz XJBWYAGYNIRZNQ-DGCLKSJQSA-N 1 0 209.333 2.193 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(C)s1)[C@H]1CCCO1 ZINC000309701913 632653817 /nfs/dbraw/zinc/65/38/17/632653817.db2.gz MZUHSOQEAYREIQ-CHWSQXEVSA-N 1 0 235.352 2.327 20 30 BEEDRO C#C[C@H]([NH2+]Cc1ccc(C)s1)[C@@H]1CCCO1 ZINC000309702212 632654505 /nfs/dbraw/zinc/65/45/05/632654505.db2.gz MZUHSOQEAYREIQ-STQMWFEESA-N 1 0 235.352 2.327 20 30 BEEDRO CC1(C[NH2+]Cc2ccc(C#N)cn2)CCC1 ZINC000309758923 632666068 /nfs/dbraw/zinc/66/60/68/632666068.db2.gz IGHBOTJMHYOOQH-UHFFFAOYSA-N 1 0 215.300 2.233 20 30 BEEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)c1ccncc1 ZINC000310254151 632712408 /nfs/dbraw/zinc/71/24/08/632712408.db2.gz ZIENSQYYSRCFAA-VXGBXAGGSA-N 1 0 233.315 2.003 20 30 BEEDRO Cc1cc(C#N)ccc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000310536315 632755812 /nfs/dbraw/zinc/75/58/12/632755812.db2.gz NMHLXJQQKMHNCA-CQSZACIVSA-N 1 0 243.354 2.397 20 30 BEEDRO C#CCCC[NH+]=C(NCc1ccccc1)N(C)C ZINC000177308336 632804091 /nfs/dbraw/zinc/80/40/91/632804091.db2.gz IDLFHDLVUJSEKT-UHFFFAOYSA-N 1 0 243.354 2.107 20 30 BEEDRO C=CCCSCC[NH2+][C@H](C)c1ccnnc1 ZINC000926682378 632815011 /nfs/dbraw/zinc/81/50/11/632815011.db2.gz CDIDIJLEBUWOGD-LLVKDONJSA-N 1 0 237.372 2.437 20 30 BEEDRO [NH2+]=C(NCc1ccc(O)cc1)Nc1ccccc1 ZINC000161522416 632817325 /nfs/dbraw/zinc/81/73/25/632817325.db2.gz HFNJHYTWPRMSRK-UHFFFAOYSA-N 1 0 241.294 2.319 20 30 BEEDRO C#CCCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000309243403 632835749 /nfs/dbraw/zinc/83/57/49/632835749.db2.gz XOFJZSFUVHCYEU-VHSXEESVSA-N 1 0 235.249 2.099 20 30 BEEDRO CCNC(NCC1CCC(C)CC1)=[NH+]CC ZINC000066244646 632861739 /nfs/dbraw/zinc/86/17/39/632861739.db2.gz HRMIQFABIAQUKU-UHFFFAOYSA-N 1 0 225.380 2.388 20 30 BEEDRO C=CCCC[N@@H+](C)CN1C(=O)C(C)(C)C1(C)C ZINC000177688449 632862778 /nfs/dbraw/zinc/86/27/78/632862778.db2.gz QVARMOQAYHENNX-UHFFFAOYSA-N 1 0 238.375 2.489 20 30 BEEDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000892521414 632883117 /nfs/dbraw/zinc/88/31/17/632883117.db2.gz SRBPYRJMWLCHRC-WDEREUQCSA-N 1 0 246.310 2.160 20 30 BEEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCC(C)C ZINC000309336198 632947275 /nfs/dbraw/zinc/94/72/75/632947275.db2.gz ASJYYSCUDHMNCX-LBPRGKRZSA-N 1 0 247.404 2.002 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCCC[C@H]1C[NH2+]CC ZINC001025040933 632982704 /nfs/dbraw/zinc/98/27/04/632982704.db2.gz PJWAKWQNVIUWBR-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccc(CO)cc1 ZINC000229675073 632986732 /nfs/dbraw/zinc/98/67/32/632986732.db2.gz YGOWNMYLXOAQNE-UHFFFAOYSA-N 1 0 217.312 2.072 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000229686917 632987199 /nfs/dbraw/zinc/98/71/99/632987199.db2.gz MPIGTGWZEHFMAU-CYBMUJFWSA-N 1 0 221.344 2.481 20 30 BEEDRO C#C[C@H]([NH2+]C1CCC(C)CC1)[C@H]1CCCO1 ZINC000309389118 633004975 /nfs/dbraw/zinc/00/49/75/633004975.db2.gz FMRBQLXRUYUFLO-CLRIEMFWSA-N 1 0 221.344 2.336 20 30 BEEDRO C#C[C@@H]([NH2+]Cc1ccc(OC)o1)C(C)(C)C ZINC000894517593 635904936 /nfs/dbraw/zinc/90/49/36/635904936.db2.gz MCUHDSSEJSNZGQ-LLVKDONJSA-N 1 0 221.300 2.426 20 30 BEEDRO CCCCCCCCC[N@@H+]1CCOC[C@H]1CO ZINC000168853504 633150523 /nfs/dbraw/zinc/15/05/23/633150523.db2.gz TVZRBBGIYXVFMM-CQSZACIVSA-N 1 0 243.391 2.430 20 30 BEEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C(C)(C)C)C1 ZINC001019042377 633154021 /nfs/dbraw/zinc/15/40/21/633154021.db2.gz HRZHBZHNEGPREZ-RYUDHWBXSA-N 1 0 238.375 2.045 20 30 BEEDRO CCNC(NCC1(C)CCCC1)=[NH+]CC ZINC000066737437 633174250 /nfs/dbraw/zinc/17/42/50/633174250.db2.gz UTWNIFHEXZOQGN-UHFFFAOYSA-N 1 0 211.353 2.142 20 30 BEEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)C)C1 ZINC000170910981 633175954 /nfs/dbraw/zinc/17/59/54/633175954.db2.gz ODGDJCVSTSAAAD-SNVBAGLBSA-N 1 0 211.353 2.079 20 30 BEEDRO C#CCOCC[NH2+][C@H]1CCCC[C@@H]1C(C)C ZINC000309528464 633189338 /nfs/dbraw/zinc/18/93/38/633189338.db2.gz BKVUWTKEMCTKGG-KGLIPLIRSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCOCC[NH2+]C1(c2ccc(F)cc2)CCC1 ZINC000851836099 633193973 /nfs/dbraw/zinc/19/39/73/633193973.db2.gz HFLRBAMBUZDOAZ-UHFFFAOYSA-N 1 0 247.313 2.444 20 30 BEEDRO C#C[C@H](CC)[NH2+]Cc1cccc2c1CCOC2 ZINC000894738193 635919224 /nfs/dbraw/zinc/91/92/24/635919224.db2.gz PUYNXJMBWLHJLC-CQSZACIVSA-N 1 0 229.323 2.261 20 30 BEEDRO CC[NH+]=C(NCCCOC(C)C)NC(C)(C)C ZINC000171607407 633202350 /nfs/dbraw/zinc/20/23/50/633202350.db2.gz IQWGGTHIDPDULM-UHFFFAOYSA-N 1 0 243.395 2.155 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)c2ccnnc2)CC1 ZINC000926841056 633208207 /nfs/dbraw/zinc/20/82/07/633208207.db2.gz VTMRFDWEJCAHPT-YRGRVCCFSA-N 1 0 229.327 2.319 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@@H]2COC[C@@H]2CC)CC1 ZINC000926841201 633209458 /nfs/dbraw/zinc/20/94/58/633209458.db2.gz XNRPGSMSCMPVGA-XDQVBPFNSA-N 1 0 221.344 2.193 20 30 BEEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccoc1 ZINC000309690735 633228743 /nfs/dbraw/zinc/22/87/43/633228743.db2.gz PQECCPWWYFUZCG-QWHCGFSZSA-N 1 0 221.300 2.350 20 30 BEEDRO C#CCN(C)CCC[NH2+]Cc1ccc(F)cc1C ZINC000328062620 633228763 /nfs/dbraw/zinc/22/87/63/633228763.db2.gz BTPVPUMBMJUHQF-UHFFFAOYSA-N 1 0 248.345 2.179 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)C1CCOCC1 ZINC000309716576 633231622 /nfs/dbraw/zinc/23/16/22/633231622.db2.gz TXYBSXLNEDQJHN-CYBMUJFWSA-N 1 0 241.400 2.148 20 30 BEEDRO C[C@H]1CC(N=Nc2cccc(Cl)n2)C[N@@H+]1C ZINC000793161135 636021707 /nfs/dbraw/zinc/02/17/07/636021707.db2.gz IALVBYDCOFIPCM-QMMMGPOBSA-N 1 0 238.722 2.227 20 30 BEEDRO C=C(Br)C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000162068506 636032897 /nfs/dbraw/zinc/03/28/97/636032897.db2.gz RPFCFGDQDVBICF-IUCAKERBSA-N 1 0 234.137 2.052 20 30 BEEDRO CCCCNC(=[NH2+])NCC1(CCC)CC1 ZINC000160024724 636032943 /nfs/dbraw/zinc/03/29/43/636032943.db2.gz CMNHEDDSRGHWTE-UHFFFAOYSA-N 1 0 211.353 2.271 20 30 BEEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3cn[nH]c3)CC2)C1 ZINC000338947954 636056738 /nfs/dbraw/zinc/05/67/38/636056738.db2.gz LJWFFEFLRRVZIM-SMDDNHRTSA-N 1 0 244.342 2.281 20 30 BEEDRO COCCC[NH2+]Cc1ccc(O[C@H](C)C#N)cc1 ZINC000237219295 636057684 /nfs/dbraw/zinc/05/76/84/636057684.db2.gz MFUSCAXHQRAWHT-GFCCVEGCSA-N 1 0 248.326 2.104 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000163173457 636129791 /nfs/dbraw/zinc/12/97/91/636129791.db2.gz DOJMKFPVZVBZNB-TUAOUCFPSA-N 1 0 229.751 2.364 20 30 BEEDRO C[C@H]1CCC[C@@]1(O)C[NH2+]CC#Cc1ccccc1 ZINC000328170315 633740768 /nfs/dbraw/zinc/74/07/68/633740768.db2.gz KJVGKANSVJCGJU-GOEBONIOSA-N 1 0 243.350 2.179 20 30 BEEDRO C#CC[N@H+](C)CCCNc1nc(Cl)cs1 ZINC000328208965 633742809 /nfs/dbraw/zinc/74/28/09/633742809.db2.gz VVQMNGVYJBXRAV-UHFFFAOYSA-N 1 0 243.763 2.164 20 30 BEEDRO N#CC1(C[NH2+][C@@H](C2CC2)C2CCOCC2)CC1 ZINC000926874563 633761135 /nfs/dbraw/zinc/76/11/35/633761135.db2.gz QSQWQGRILJKEOZ-ZDUSSCGKSA-N 1 0 234.343 2.085 20 30 BEEDRO C#C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)[C@H]1CCCO1 ZINC000309807552 633763707 /nfs/dbraw/zinc/76/37/07/633763707.db2.gz SODDFBHFBMPQHO-YIYPIFLZSA-N 1 0 221.344 2.336 20 30 BEEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2C=CCC2)C1 ZINC001019975900 633800565 /nfs/dbraw/zinc/80/05/65/633800565.db2.gz NQGGNPQAJIMAQU-MGPQQGTHSA-N 1 0 248.370 2.156 20 30 BEEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(C)=C2CCCC2)C1 ZINC001020064368 633808536 /nfs/dbraw/zinc/80/85/36/633808536.db2.gz OZZWBVRKBWROOZ-HDJSIYSDSA-N 1 0 248.370 2.300 20 30 BEEDRO C#CCCCC[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925528636 633917856 /nfs/dbraw/zinc/91/78/56/633917856.db2.gz UCPVNWHSAMHXSM-VXGBXAGGSA-N 1 0 209.333 2.051 20 30 BEEDRO C=C(C)COCC[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000925531777 633926156 /nfs/dbraw/zinc/92/61/56/633926156.db2.gz NTTVCGWIJHJMQX-UONOGXRCSA-N 1 0 243.391 2.498 20 30 BEEDRO CCC(CC)CN(CCC#N)CC1OCCO1 ZINC000182391960 633944731 /nfs/dbraw/zinc/94/47/31/633944731.db2.gz WXOYEXIRZDKOIQ-UHFFFAOYSA-N 1 0 240.347 2.011 20 30 BEEDRO C#CC[C@H](CO)[NH2+]C1CCC(=C2CCC2)CC1 ZINC000895489719 636151273 /nfs/dbraw/zinc/15/12/73/636151273.db2.gz HHZYXLDEPLEHQD-OAHLLOKOSA-N 1 0 233.355 2.383 20 30 BEEDRO C#CC[C@@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1c1cccs1 ZINC000895490505 636151305 /nfs/dbraw/zinc/15/13/05/636151305.db2.gz QJOQGOZXROIKBC-MROQNXINSA-N 1 0 249.379 2.214 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCC[C@H]1C ZINC000895490432 636151693 /nfs/dbraw/zinc/15/16/93/636151693.db2.gz OPKYKIPXLSFPHY-AAVRWANBSA-N 1 0 223.360 2.175 20 30 BEEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)nc(Cl)c1 ZINC000309859290 634030334 /nfs/dbraw/zinc/03/03/34/634030334.db2.gz LTFVVUIOLBGZGC-LLVKDONJSA-N 1 0 240.734 2.070 20 30 BEEDRO C#CCOCC[NH2+][C@@H](CC)c1ccccc1 ZINC000310011501 634071105 /nfs/dbraw/zinc/07/11/05/634071105.db2.gz IREZQNQEDJNQIW-AWEZNQCLSA-N 1 0 217.312 2.377 20 30 BEEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)c2snnc2C)C1 ZINC000930884218 634153747 /nfs/dbraw/zinc/15/37/47/634153747.db2.gz ABERCPCOJDLVMV-QWRGUYRKSA-N 1 0 235.356 2.253 20 30 BEEDRO C=CCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310543236 634157799 /nfs/dbraw/zinc/15/77/99/634157799.db2.gz CXHQPLXDGQTJCS-LBPRGKRZSA-N 1 0 233.311 2.172 20 30 BEEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1[C@H](C#N)c1ccccc1 ZINC000931038788 634192101 /nfs/dbraw/zinc/19/21/01/634192101.db2.gz UIGXISYTZREPFW-VHDGCEQUSA-N 1 0 243.354 2.276 20 30 BEEDRO N#CC1CCC(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)CC1 ZINC000931060263 634207855 /nfs/dbraw/zinc/20/78/55/634207855.db2.gz SFZAQKALERZBDL-CVSAEHQPSA-N 1 0 248.370 2.285 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000162628274 634236056 /nfs/dbraw/zinc/23/60/56/634236056.db2.gz IYOBINHYTLYUGJ-GDBMZVCRSA-N 1 0 242.366 2.262 20 30 BEEDRO C=CC[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000925697945 634362807 /nfs/dbraw/zinc/36/28/07/634362807.db2.gz PXWVVZXZOOIWTG-WODVXLOZSA-N 1 0 241.400 2.187 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000925699506 634366741 /nfs/dbraw/zinc/36/67/41/634366741.db2.gz WQCAYFSMTOZYIV-FKZOYECMSA-N 1 0 223.360 2.339 20 30 BEEDRO CC(C)O[C@H]1C[C@@H]([NH2+]C[C@H](C)C#N)C1(C)C ZINC000893545634 635132802 /nfs/dbraw/zinc/13/28/02/635132802.db2.gz VAOXIIDNUHDOJK-UTUOFQBUSA-N 1 0 224.348 2.328 20 30 BEEDRO CC#CCCN1CC[N@H+](CCC#CC)[C@@H](C)[C@H]1C ZINC000662226110 635153482 /nfs/dbraw/zinc/15/34/82/635153482.db2.gz XMKBGKCEQCQRHD-IYBDPMFKSA-N 1 0 246.398 2.208 20 30 BEEDRO CC#CCCN1CC[N@H+](CCC#CC)[C@H](C)[C@H]1C ZINC000662226106 635153756 /nfs/dbraw/zinc/15/37/56/635153756.db2.gz XMKBGKCEQCQRHD-HZPDHXFCSA-N 1 0 246.398 2.208 20 30 BEEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1=CCCC1 ZINC001027819799 635160270 /nfs/dbraw/zinc/16/02/70/635160270.db2.gz SMDJASHARWWXQP-CQSZACIVSA-N 1 0 248.370 2.253 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCCc1cncn1C ZINC000314332261 635170615 /nfs/dbraw/zinc/17/06/15/635170615.db2.gz JDMJHXPRFALHGD-UHFFFAOYSA-N 1 0 248.374 2.224 20 30 BEEDRO N#CCCNC/C=C\c1ccc(F)c(F)c1 ZINC000336663485 635198798 /nfs/dbraw/zinc/19/87/98/635198798.db2.gz DACOOXVEQSERBO-IWQZZHSRSA-N 1 0 222.238 2.481 20 30 BEEDRO C=CCC[C@@H]([NH2+]Cc1cc(N)ccn1)C1CC1 ZINC000925772514 635213562 /nfs/dbraw/zinc/21/35/62/635213562.db2.gz SRBHKHKPUSHWFL-CQSZACIVSA-N 1 0 231.343 2.498 20 30 BEEDRO C=CC[N@@H+]1CCCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000980681644 635256588 /nfs/dbraw/zinc/25/65/88/635256588.db2.gz ZOZPOVVKVMMSKL-AWEZNQCLSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000980693080 635257876 /nfs/dbraw/zinc/25/78/76/635257876.db2.gz MQPCZDGFYFXUTK-AWEZNQCLSA-N 1 0 248.370 2.063 20 30 BEEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C=C2CCC2)C1 ZINC000981008737 635309552 /nfs/dbraw/zinc/30/95/52/635309552.db2.gz BMXUZQZEDKXNEL-KBPBESRZSA-N 1 0 248.370 2.300 20 30 BEEDRO C=CC[N@H+]1CCCN(C(=O)C2(C)CC=CC2)CC1 ZINC000981875582 635417452 /nfs/dbraw/zinc/41/74/52/635417452.db2.gz AFICSYDVVFOORO-UHFFFAOYSA-N 1 0 248.370 2.063 20 30 BEEDRO C[N@@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C#N)C1 ZINC000234335746 635553526 /nfs/dbraw/zinc/55/35/26/635553526.db2.gz HHROIAYQIMVQNX-UONOGXRCSA-N 1 0 235.375 2.096 20 30 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C=CCOc1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000342235172 636343574 /nfs/dbraw/zinc/34/35/74/636343574.db2.gz QDTMGSJAFFCGOO-NEPJUHHUSA-N 1 0 235.327 2.110 20 30 BEEDRO N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]1C[NH3+] ZINC000089092332 636372388 /nfs/dbraw/zinc/37/23/88/636372388.db2.gz HHRNBOQMNHMEBZ-JOYOIKCWSA-N 1 0 233.290 2.237 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@H](C)C1 ZINC000925197012 636376216 /nfs/dbraw/zinc/37/62/16/636376216.db2.gz JTRJSANGLTXVQD-QWHCGFSZSA-N 1 0 237.391 2.246 20 30 BEEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)CCC)[C@@H]1C ZINC000985862446 636436723 /nfs/dbraw/zinc/43/67/23/636436723.db2.gz XHBLNRAJNKIPDL-MNOVXSKESA-N 1 0 244.766 2.118 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C=C(C)C)[C@@H]1C ZINC000985931856 636453583 /nfs/dbraw/zinc/45/35/83/636453583.db2.gz UIUVNPWJFQDINN-CHWSQXEVSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C=C(C)C)[C@H]1C ZINC000985931862 636453696 /nfs/dbraw/zinc/45/36/96/636453696.db2.gz UIUVNPWJFQDINN-QWHCGFSZSA-N 1 0 236.359 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)[C@@H]1C ZINC000986134709 636531273 /nfs/dbraw/zinc/53/12/73/636531273.db2.gz LOCIVPZAVMQLOA-WXYBXBMJSA-N 1 0 236.359 2.108 20 30 BEEDRO C#CCCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000174614400 636562485 /nfs/dbraw/zinc/56/24/85/636562485.db2.gz ZYSPJGAIBZILHX-UHFFFAOYSA-N 1 0 239.322 2.375 20 30 BEEDRO Cc1ccnc(N)c1C=[NH+]N1CCCC[C@H]1C ZINC000872388947 636585134 /nfs/dbraw/zinc/58/51/34/636585134.db2.gz SDNVDLMOZHLQHQ-LLVKDONJSA-N 1 0 232.331 2.181 20 30 BEEDRO [NH2+]=C(NCCC1=CCCCCC1)N1CCC1 ZINC000263104214 636604790 /nfs/dbraw/zinc/60/47/90/636604790.db2.gz KKDVDSITZAELEH-UHFFFAOYSA-N 1 0 221.348 2.287 20 30 BEEDRO C#CCOc1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862441067 636628527 /nfs/dbraw/zinc/62/85/27/636628527.db2.gz OBFCXSDRPZFVIS-OKILXGFUSA-N 1 0 227.307 2.150 20 30 BEEDRO N#Cc1ccc(F)c(C[NH2+][C@H]2CC[C@@H](C#N)C2)c1 ZINC000799720932 636637416 /nfs/dbraw/zinc/63/74/16/636637416.db2.gz YVMXVNWPFMFIDP-YPMHNXCESA-N 1 0 243.285 2.479 20 30 BEEDRO C#CCCCC(C)=NNCC[NH+]1CCCCC1 ZINC000863080496 636663998 /nfs/dbraw/zinc/66/39/98/636663998.db2.gz CNHQTIPTNAQQKT-UHFFFAOYSA-N 1 0 235.375 2.241 20 30 BEEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)C1 ZINC000987852888 636672008 /nfs/dbraw/zinc/67/20/08/636672008.db2.gz FEQNGAQEIXFECZ-TZMCWYRMSA-N 1 0 244.338 2.065 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C=C2CCC2)C1 ZINC000988588625 636742157 /nfs/dbraw/zinc/74/21/57/636742157.db2.gz RPERSYBODSFONH-TZMCWYRMSA-N 1 0 248.370 2.252 20 30 BEEDRO C#CCSCC[NH2+][C@H](CC)[C@@H]1C[C@H]1C ZINC000321983787 636788260 /nfs/dbraw/zinc/78/82/60/636788260.db2.gz CZHGKGCHJJPQFR-IJLUTSLNSA-N 1 0 211.374 2.377 20 30 BEEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000929110431 636805913 /nfs/dbraw/zinc/80/59/13/636805913.db2.gz YCHLRKVPZGJOLH-HIFPTAJRSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000897885581 636843680 /nfs/dbraw/zinc/84/36/80/636843680.db2.gz NRBXGSCBHWTODV-JSGCOSHPSA-N 1 0 238.375 2.457 20 30 BEEDRO C=CC[C@H](C)[C@H](C)[NH2+]C1CC(CCO)C1 ZINC000898012143 636853508 /nfs/dbraw/zinc/85/35/08/636853508.db2.gz ZASZWUQBWDVFNN-ZSVAQUKISA-N 1 0 211.349 2.338 20 30 BEEDRO CC[C@@](C)(C[NH2+]CC#Cc1ccccc1)OC ZINC000322837017 636880854 /nfs/dbraw/zinc/88/08/54/636880854.db2.gz DSZVTNZLTFMMIJ-HNNXBMFYSA-N 1 0 231.339 2.443 20 30 BEEDRO C=C(C)C[N@@H+]1CC[C@]2(NC(=O)CC)CCC[C@H]12 ZINC000989870471 636889189 /nfs/dbraw/zinc/88/91/89/636889189.db2.gz LMNFYZIWTGSTPW-GXTWGEPZSA-N 1 0 236.359 2.086 20 30 BEEDRO C=CC[NH2+]C1CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000989934022 636900483 /nfs/dbraw/zinc/90/04/83/636900483.db2.gz MAVJPPLCWVFMJH-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+]C1CCN(C(=O)/C=C/C2CC2)CC1 ZINC000990594492 636977461 /nfs/dbraw/zinc/97/74/61/636977461.db2.gz JBVUTSSLDKJGIC-AATRIKPKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CCC[C@@H](CCC)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926985878 636984197 /nfs/dbraw/zinc/98/41/97/636984197.db2.gz HUDGZFLNTRVMDY-CHWSQXEVSA-N 1 0 238.375 2.237 20 30 BEEDRO C=CCC[C@H](CCC)[NH2+]CC[C@H]1CNC(=O)C1 ZINC000926985880 636985236 /nfs/dbraw/zinc/98/52/36/636985236.db2.gz HUDGZFLNTRVMDY-OLZOCXBDSA-N 1 0 238.375 2.237 20 30 BEEDRO C=C(CC)Cn1cc([C@H]2CCCC[NH2+]2)nn1 ZINC000899711697 637131558 /nfs/dbraw/zinc/13/15/58/637131558.db2.gz HWBGULDZNAQZSM-LLVKDONJSA-N 1 0 220.320 2.059 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1ccccc1 ZINC000899907324 637152391 /nfs/dbraw/zinc/15/23/91/637152391.db2.gz CUIWOLPFPNHQOR-UHFFFAOYSA-N 1 0 246.354 2.153 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)C(C)C ZINC000900546971 637190509 /nfs/dbraw/zinc/19/05/09/637190509.db2.gz BDYIJHSYKOGIBF-UHFFFAOYSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](C)[C@@H]1C ZINC000900826065 637191907 /nfs/dbraw/zinc/19/19/07/637191907.db2.gz CANAXSGAFWVDQR-YPMHNXCESA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H](CO)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903131910 637344878 /nfs/dbraw/zinc/34/48/78/637344878.db2.gz LFBGRLRAROGIQW-IUODEOHRSA-N 1 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VYQVUBVHWHQCNZ-JTQLQIEISA-N 1 0 223.320 2.104 20 30 BEEDRO C=C(C)c1ccc([C@]2(O)CCC[NH2+]C2)cc1 ZINC000904795652 637489458 /nfs/dbraw/zinc/48/94/58/637489458.db2.gz SUTMYIUOXIWDKP-AWEZNQCLSA-N 1 0 217.312 2.291 20 30 BEEDRO C=C(CC)Cn1cc(C[N@H+](C)C(C)(C)C)nn1 ZINC000905057204 637594302 /nfs/dbraw/zinc/59/43/02/637594302.db2.gz LGGFQGKVYKTYDF-UHFFFAOYSA-N 1 0 236.363 2.475 20 30 BEEDRO C#CCCC[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905136678 637646513 /nfs/dbraw/zinc/64/65/13/637646513.db2.gz RKQKKTFSVGRQQD-AWEZNQCLSA-N 1 0 217.312 2.031 20 30 BEEDRO C=CCCC[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905244445 637704739 /nfs/dbraw/zinc/70/47/39/637704739.db2.gz YAPOSKSIFDLCBH-LSDHHAIUSA-N 1 0 249.354 2.027 20 30 BEEDRO C=CCC(C)(C)C[NH2+]C[C@](C)(O)C(F)F ZINC000905267658 637720859 /nfs/dbraw/zinc/72/08/59/637720859.db2.gz MUCNUHWEQNBZER-NSHDSACASA-N 1 0 221.291 2.194 20 30 BEEDRO Cc1cccc([C@@H](O)C[NH2+]CC2(C#N)CCC2)c1 ZINC000905291186 637741318 /nfs/dbraw/zinc/74/13/18/637741318.db2.gz YPGKRRLBUVODMO-AWEZNQCLSA-N 1 0 244.338 2.312 20 30 BEEDRO Fc1ccc(C2CC(=[NH+]n3cnnc3)C2)c(F)c1 ZINC000905416814 637803659 /nfs/dbraw/zinc/80/36/59/637803659.db2.gz JWWZUWCXQJWWHE-UHFFFAOYSA-N 1 0 248.236 2.338 20 30 BEEDRO CC1(C)C[C@]1(C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905424449 637811759 /nfs/dbraw/zinc/81/17/59/637811759.db2.gz GNFFMOOHDLISSV-WCQYABFASA-N 1 0 236.359 2.067 20 30 BEEDRO C=C/C=C/CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905425087 637811982 /nfs/dbraw/zinc/81/19/82/637811982.db2.gz MWCWNVDDVVCRAQ-BTDICHCPSA-N 1 0 222.332 2.009 20 30 BEEDRO C[C@H](C[NH2+]CCC#N)c1ccccc1[N+](=O)[O-] ZINC000905642329 637880349 /nfs/dbraw/zinc/88/03/49/637880349.db2.gz HNVXPCGSVVVSFQ-SNVBAGLBSA-N 1 0 233.271 2.202 20 30 BEEDRO CC(C)(C[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000905640769 637880394 /nfs/dbraw/zinc/88/03/94/637880394.db2.gz NXYWYYSWAIYNMD-LBPRGKRZSA-N 1 0 236.359 2.067 20 30 BEEDRO CC[C@@H]([NH3+])c1cn(CC2CCC(C#N)CC2)nn1 ZINC000905815425 637941532 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CC#CCC[NH+]1CCC(CSC)CC1 ZINC000932587658 640577961 /nfs/dbraw/zinc/57/79/61/640577961.db2.gz NUJCOBUTJOXQNF-UHFFFAOYSA-N 1 0 211.374 2.475 20 30 BEEDRO C=CCC[C@H](O)C[NH+]1CCC(CSC)CC1 ZINC000932589722 640580486 /nfs/dbraw/zinc/58/04/86/640580486.db2.gz PMORSPCXBJRINU-ZDUSSCGKSA-N 1 0 243.416 2.389 20 30 BEEDRO C=C(C)CC[NH+]1CC(NC(=O)C[C@H]2C=CCC2)C1 ZINC001030091691 640586816 /nfs/dbraw/zinc/58/68/16/640586816.db2.gz GSIVCBQRPNHTKB-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000932714201 640604005 /nfs/dbraw/zinc/60/40/05/640604005.db2.gz ZYUBRCOWJWOXII-QWHCGFSZSA-N 1 0 240.391 2.291 20 30 BEEDRO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)C(C)C ZINC000932728235 640604871 /nfs/dbraw/zinc/60/48/71/640604871.db2.gz FSTBIYXCWKYMDL-LBPRGKRZSA-N 1 0 226.364 2.045 20 30 BEEDRO C=C(C)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932814546 640612761 /nfs/dbraw/zinc/61/27/61/640612761.db2.gz HXPVHBJHBSNUEI-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C=C(C)C[NH+]1CCC(CO)(C(F)(F)F)CC1 ZINC000932822564 640614254 /nfs/dbraw/zinc/61/42/54/640614254.db2.gz GXPFKCKTNGZFQU-UHFFFAOYSA-N 1 0 237.265 2.199 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC000166392363 640633303 /nfs/dbraw/zinc/63/33/03/640633303.db2.gz VKNUNVCAFABBGU-NSHDSACASA-N 1 0 214.312 2.156 20 30 BEEDRO C#C[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000166516395 640644360 /nfs/dbraw/zinc/64/43/60/640644360.db2.gz BORUZIIJXPWWOZ-ZETCQYMHSA-N 1 0 213.202 2.215 20 30 BEEDRO C#C[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000166516522 640644684 /nfs/dbraw/zinc/64/46/84/640644684.db2.gz BORUZIIJXPWWOZ-SSDOTTSWSA-N 1 0 213.202 2.215 20 30 BEEDRO C#C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC ZINC000166467067 640646401 /nfs/dbraw/zinc/64/64/01/640646401.db2.gz POJPSCWQGBQISO-NEPJUHHUSA-N 1 0 217.312 2.238 20 30 BEEDRO N#CCCC[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000933078528 640667283 /nfs/dbraw/zinc/66/72/83/640667283.db2.gz OFTPAAKFVOMDKR-AWEZNQCLSA-N 1 0 236.359 2.429 20 30 BEEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)C(F)(F)F ZINC000166802445 640678502 /nfs/dbraw/zinc/67/85/02/640678502.db2.gz HXIJYDWPDCGRCA-HLTSFMKQSA-N 1 0 225.254 2.100 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(N)nc2)CCCCC1 ZINC000933263961 640692661 /nfs/dbraw/zinc/69/26/61/640692661.db2.gz QESWPSZTJHJLHF-UHFFFAOYSA-N 1 0 243.354 2.480 20 30 BEEDRO C#CCC1([NH2+]CC2(C)COC2)CCCCC1 ZINC000933266218 640693528 /nfs/dbraw/zinc/69/35/28/640693528.db2.gz RPJJKQBVWGSJJF-UHFFFAOYSA-N 1 0 221.344 2.339 20 30 BEEDRO C#CCC1([NH2+]CCCCO)CCCCC1 ZINC000933268879 640694070 /nfs/dbraw/zinc/69/40/70/640694070.db2.gz GOWZMJCEKONLOQ-UHFFFAOYSA-N 1 0 209.333 2.075 20 30 BEEDRO C#CCC1([NH2+]C[C@H](O)CC)CCCCC1 ZINC000933265645 640694234 /nfs/dbraw/zinc/69/42/34/640694234.db2.gz HSILZIXQGQKWIG-GFCCVEGCSA-N 1 0 209.333 2.073 20 30 BEEDRO C#CCC1([NH2+]CCc2ccccn2)CCC1 ZINC000933294293 640698649 /nfs/dbraw/zinc/69/86/49/640698649.db2.gz HJMVEPQQVOHMLO-UHFFFAOYSA-N 1 0 214.312 2.160 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(Cl)nn2)CCC1 ZINC000933294793 640699687 /nfs/dbraw/zinc/69/96/87/640699687.db2.gz SEQAJKPUTQUZNH-UHFFFAOYSA-N 1 0 235.718 2.166 20 30 BEEDRO C#CCC1([NH2+]C[C@H](COC)C(C)C)CCC1 ZINC000933294787 640699866 /nfs/dbraw/zinc/69/98/66/640699866.db2.gz SBLAJQXYAOTUNF-CYBMUJFWSA-N 1 0 223.360 2.441 20 30 BEEDRO C#CCC1([NH2+][C@H](C)c2cnc(C)cn2)CCC1 ZINC000933297044 640701081 /nfs/dbraw/zinc/70/10/81/640701081.db2.gz WOVDGHXCJHIIBV-GFCCVEGCSA-N 1 0 229.327 2.382 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000933485988 640721508 /nfs/dbraw/zinc/72/15/08/640721508.db2.gz JMINMOZTXJQZHV-STQMWFEESA-N 1 0 238.375 2.141 20 30 BEEDRO C#CCOCC[NH2+][C@H](C)c1ccc(OC)c(C)c1 ZINC000933484190 640721814 /nfs/dbraw/zinc/72/18/14/640721814.db2.gz DAEKRAJZMSXZAW-CYBMUJFWSA-N 1 0 247.338 2.304 20 30 BEEDRO C[C@H](O)C[NH+]1CCC(c2ccc(C#N)cc2)CC1 ZINC000933606587 640731625 /nfs/dbraw/zinc/73/16/25/640731625.db2.gz KRGSHPOBYDHAIQ-LBPRGKRZSA-N 1 0 244.338 2.118 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@H]1C[C@H]1CCOC1 ZINC000933668282 640741137 /nfs/dbraw/zinc/74/11/37/640741137.db2.gz CDUGJSALZLYTQB-ZIAGYGMSSA-N 1 0 239.359 2.080 20 30 BEEDRO C=C(C)CC[N@@H+]1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000933682094 640743306 /nfs/dbraw/zinc/74/33/06/640743306.db2.gz UJXDKJJHONNSNO-KBPBESRZSA-N 1 0 239.359 2.223 20 30 BEEDRO C=CCCC[N@@H+]1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000933677528 640744475 /nfs/dbraw/zinc/74/44/75/640744475.db2.gz PSSJZGCGYAIBGF-KGLIPLIRSA-N 1 0 239.359 2.223 20 30 BEEDRO COCC[C@@H](C)[N@H+](C)Cc1cc(C#N)cs1 ZINC000933775224 640765251 /nfs/dbraw/zinc/76/52/51/640765251.db2.gz LSPYFJDWHQCIIM-SNVBAGLBSA-N 1 0 238.356 2.477 20 30 BEEDRO C#CCCCCCC[N@@H+](CC)CCC(=O)NC ZINC000933860001 640772554 /nfs/dbraw/zinc/77/25/54/640772554.db2.gz JCEKRZANXRAWCR-UHFFFAOYSA-N 1 0 238.375 2.028 20 30 BEEDRO CC[NH+]=C(NC[C@H](C)SC)NC1CCCC1 ZINC000157975524 640782586 /nfs/dbraw/zinc/78/25/86/640782586.db2.gz ROPAECSAALNZAR-JTQLQIEISA-N 1 0 243.420 2.236 20 30 BEEDRO CC(C)C[N@@H+](CCC#N)CCCCCCO ZINC000226839028 640801642 /nfs/dbraw/zinc/80/16/42/640801642.db2.gz PPEYTZQGENKAHZ-UHFFFAOYSA-N 1 0 226.364 2.411 20 30 BEEDRO CCCCCCC[NH2+]C1CCS(=O)(=O)CC1 ZINC000059379227 640807992 /nfs/dbraw/zinc/80/79/92/640807992.db2.gz GQCAOPGPAHFEOH-UHFFFAOYSA-N 1 0 247.404 2.124 20 30 BEEDRO C=CCC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000168736752 640822830 /nfs/dbraw/zinc/82/28/30/640822830.db2.gz XNLJQIUIKHKGBJ-GFCCVEGCSA-N 1 0 209.264 2.025 20 30 BEEDRO CC1CC[NH+](CCN2CCC[C@@H](CC#N)C2)CC1 ZINC000595620034 640826221 /nfs/dbraw/zinc/82/62/21/640826221.db2.gz JXGMMEIWJRWIKZ-HNNXBMFYSA-N 1 0 249.402 2.344 20 30 BEEDRO CCC[C@@H](CCO)C[NH2+]CC#Cc1ccccc1 ZINC000227446112 640835232 /nfs/dbraw/zinc/83/52/32/640835232.db2.gz YPEGYVQKLNUWKF-INIZCTEOSA-N 1 0 245.366 2.426 20 30 BEEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000170647579 640907697 /nfs/dbraw/zinc/90/76/97/640907697.db2.gz AXCOQMOOCMDHPE-NSHDSACASA-N 1 0 240.347 2.019 20 30 BEEDRO CC(C)CCCCCCNC(=[NH2+])N(C)C ZINC000170905239 640935875 /nfs/dbraw/zinc/93/58/75/640935875.db2.gz QCALKPKCQCKAIL-UHFFFAOYSA-N 1 0 213.369 2.469 20 30 BEEDRO C#CCCCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000229680954 640970236 /nfs/dbraw/zinc/97/02/36/640970236.db2.gz HCMRYQDJHAAIGH-AWEZNQCLSA-N 1 0 235.302 2.252 20 30 BEEDRO C#C[C@@H](CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000229897123 640993743 /nfs/dbraw/zinc/99/37/43/640993743.db2.gz FNINMLTUSNWPJR-ZDUSSCGKSA-N 1 0 216.328 2.254 20 30 BEEDRO C=CCCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000172178045 641046113 /nfs/dbraw/zinc/04/61/13/641046113.db2.gz UEYUDFKISUDMLP-GFCCVEGCSA-N 1 0 225.332 2.038 20 30 BEEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CC1CCC(C#N)CC1 ZINC000934108035 641070373 /nfs/dbraw/zinc/07/03/73/641070373.db2.gz YTAJUHLWKFLUOT-NWINJMCUSA-N 1 0 236.359 2.426 20 30 BEEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CC#Cc1ccccc1 ZINC000934113315 641076727 /nfs/dbraw/zinc/07/67/27/641076727.db2.gz NGEUDGWGBMKZOQ-LSDHHAIUSA-N 1 0 229.323 2.147 20 30 BEEDRO CCCCCCCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000230732630 641088522 /nfs/dbraw/zinc/08/85/22/641088522.db2.gz SIFLHTCLTUGFIW-ZDUSSCGKSA-N 1 0 226.364 2.215 20 30 BEEDRO CCCCCCC[NH+]1CCC(C(=O)NC)CC1 ZINC000172648767 641089623 /nfs/dbraw/zinc/08/96/23/641089623.db2.gz VNCASQDZRYTWRH-UHFFFAOYSA-N 1 0 240.391 2.415 20 30 BEEDRO CCCCCCC[N@H+](CC(N)=O)C(C)C ZINC000172648030 641089700 /nfs/dbraw/zinc/08/97/00/641089700.db2.gz BFPMSIUBTYXKIV-UHFFFAOYSA-N 1 0 214.353 2.153 20 30 BEEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1cncs1 ZINC000934197501 641097488 /nfs/dbraw/zinc/09/74/88/641097488.db2.gz DBARFGNZVPGGIT-UWVGGRQHSA-N 1 0 226.345 2.121 20 30 BEEDRO C[C@H]([NH2+]CCCSCC#N)c1cncs1 ZINC000934199265 641097527 /nfs/dbraw/zinc/09/75/27/641097527.db2.gz VELQZINULMJGJW-VIFPVBQESA-N 1 0 241.385 2.441 20 30 BEEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1cncs1 ZINC000934197502 641099376 /nfs/dbraw/zinc/09/93/76/641099376.db2.gz DBARFGNZVPGGIT-VHSXEESVSA-N 1 0 226.345 2.121 20 30 BEEDRO C[C@H](Cc1cccnc1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000934229744 641107795 /nfs/dbraw/zinc/10/77/95/641107795.db2.gz CLQZUVZKPHCIHO-MBNYWOFBSA-N 1 0 229.327 2.294 20 30 BEEDRO C#CCCC[N@@H+]1CC[C@H](Cc2nccs2)C1 ZINC000934329303 641125735 /nfs/dbraw/zinc/12/57/35/641125735.db2.gz GPKDFXSXOYNQNV-GFCCVEGCSA-N 1 0 234.368 2.421 20 30 BEEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC23CCCC3)o1 ZINC000934381353 641135671 /nfs/dbraw/zinc/13/56/71/641135671.db2.gz OKCCSXHDIOFJAV-CYBMUJFWSA-N 1 0 246.310 2.343 20 30 BEEDRO C=C(C)C[N@H+]1C[C@@H](Cc2ccccc2)[C@H](O)C1 ZINC000934432630 641143062 /nfs/dbraw/zinc/14/30/62/641143062.db2.gz RDWXZHSSEMCTBR-HUUCEWRRSA-N 1 0 231.339 2.098 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCCc1cncn1C ZINC000934458634 641153484 /nfs/dbraw/zinc/15/34/84/641153484.db2.gz BLSVQILVAQGCTJ-LBPRGKRZSA-N 1 0 219.332 2.003 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H]1CCO[C@@H](C)C1 ZINC000934463088 641154187 /nfs/dbraw/zinc/15/41/87/641154187.db2.gz FTESMJAYHVOIPA-YNEHKIRRSA-N 1 0 209.333 2.452 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@H](CC(C)C)C(=O)OC ZINC000934464401 641156204 /nfs/dbraw/zinc/15/62/04/641156204.db2.gz NHMSLLIEPIYCAY-VXGBXAGGSA-N 1 0 225.332 2.225 20 30 BEEDRO C=CC[C@H]1CC[N@H+]1CCCSCCOC ZINC000934463890 641156886 /nfs/dbraw/zinc/15/68/86/641156886.db2.gz KSSWHRRREMHXID-LBPRGKRZSA-N 1 0 229.389 2.407 20 30 BEEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)c1cnccn1 ZINC000934463307 641157345 /nfs/dbraw/zinc/15/73/45/641157345.db2.gz XYTXIILNBMERFG-WDEREUQCSA-N 1 0 203.289 2.188 20 30 BEEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC000971101339 641157482 /nfs/dbraw/zinc/15/74/82/641157482.db2.gz KDNHSKRSTMNVKJ-CHWSQXEVSA-N 1 0 238.375 2.141 20 30 BEEDRO C=CC[C@@H]1CCN1Cc1nc(C)c(C)o1 ZINC000934470163 641164479 /nfs/dbraw/zinc/16/44/79/641164479.db2.gz LMGJJBYTCFVCCY-LLVKDONJSA-N 1 0 206.289 2.442 20 30 BEEDRO CCCCCCC[C@@H](C)[NH2+]CC(=O)NCC ZINC000059338652 641167472 /nfs/dbraw/zinc/16/74/72/641167472.db2.gz AACVIPQCKIFFBE-GFCCVEGCSA-N 1 0 228.380 2.461 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCOCC(C)C ZINC000934517579 641172382 /nfs/dbraw/zinc/17/23/82/641172382.db2.gz WVNCBLDXEBXQCB-ZDUSSCGKSA-N 1 0 209.333 2.147 20 30 BEEDRO C=C(C)C[N@H+]1Cc2ncccc2N2CCC[C@H]2C1 ZINC000934491808 641173156 /nfs/dbraw/zinc/17/31/56/641173156.db2.gz ZERXIVCNQPCRHU-ZDUSSCGKSA-N 1 0 243.354 2.442 20 30 BEEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)c1ccccc1 ZINC000934508966 641174357 /nfs/dbraw/zinc/17/43/57/641174357.db2.gz JLBBMSVXKMDEJU-HUUCEWRRSA-N 1 0 229.323 2.208 20 30 BEEDRO C#C[C@@H]1CCCC[N@@H+]1Cc1cccnc1 ZINC000934510560 641178905 /nfs/dbraw/zinc/17/89/05/641178905.db2.gz AGDTZMYVDPHRQN-CYBMUJFWSA-N 1 0 200.285 2.069 20 30 BEEDRO CC(C)(C)[C@H]1CCCC(N=NC(N)=[NH2+])CC1 ZINC000252664708 641179283 /nfs/dbraw/zinc/17/92/83/641179283.db2.gz JDXDHMYQYIPJGQ-VIFPVBQESA-N 1 0 224.352 2.452 20 30 BEEDRO C#C[C@H]1CCCC[N@H+]1CCC(F)(F)F ZINC000934512325 641181629 /nfs/dbraw/zinc/18/16/29/641181629.db2.gz KHEVJFQNRLDIJI-VIFPVBQESA-N 1 0 205.223 2.427 20 30 BEEDRO C#C[C@H]1CCCC[N@@H+]1CCO[C@@H]1CCCCO1 ZINC000934515799 641184717 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227.307 2.154 20 30 BEEDRO C#CCCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000174613862 641312302 /nfs/dbraw/zinc/31/23/02/641312302.db2.gz STOGQDTVBOQLQM-UHFFFAOYSA-N 1 0 227.307 2.465 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000935482919 641417545 /nfs/dbraw/zinc/41/75/45/641417545.db2.gz RUSNPAAELRGLNL-YNEHKIRRSA-N 1 0 238.375 2.188 20 30 BEEDRO C=C(CC[NH+](C)C)C(=O)NCCCCC1CC1 ZINC000913754266 641467456 /nfs/dbraw/zinc/46/74/56/641467456.db2.gz KOKSGGGPQKHWEE-UHFFFAOYSA-N 1 0 238.375 2.191 20 30 BEEDRO CCCCCCC[NH2+]C(C)(C)C(=O)NCC ZINC000312822599 641511976 /nfs/dbraw/zinc/51/19/76/641511976.db2.gz NQBFARJMUWJBHH-UHFFFAOYSA-N 1 0 228.380 2.461 20 30 BEEDRO C#CCSCC[NH2+]Cc1cc(C)ccc1OC ZINC000152952505 641674973 /nfs/dbraw/zinc/67/49/73/641674973.db2.gz PDVYRGUAUQMOLS-UHFFFAOYSA-N 1 0 249.379 2.460 20 30 BEEDRO C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC000992911646 641677665 /nfs/dbraw/zinc/67/76/65/641677665.db2.gz LWVUGXOPFPRRSZ-QWHCGFSZSA-N 1 0 238.375 2.332 20 30 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CC(=NNCC[NH+]1CCCCC1)c1ccco1 ZINC000915973455 641890731 /nfs/dbraw/zinc/89/07/31/641890731.db2.gz JDBBFDIHJPXFKW-UHFFFAOYSA-N 1 0 235.331 2.079 20 30 BEEDRO CC1=CC(=NNCC[NH+]2CCCCC2)CC1 ZINC000915973236 641891317 /nfs/dbraw/zinc/89/13/17/641891317.db2.gz DHXLQNCVCZEVSZ-UHFFFAOYSA-N 1 0 221.348 2.158 20 30 BEEDRO CCCCCCC[C@H](C)[NH2+]C1(C(N)=O)CC1 ZINC000191481810 641922885 /nfs/dbraw/zinc/92/28/85/641922885.db2.gz XAZGPYHLVFUJNT-NSHDSACASA-N 1 0 226.364 2.343 20 30 BEEDRO C[N@@H+]1CCC[C@H]1CSc1ccc(C#N)cn1 ZINC000916582395 641953015 /nfs/dbraw/zinc/95/30/15/641953015.db2.gz IUFZXERRKNMRRQ-NSHDSACASA-N 1 0 233.340 2.140 20 30 BEEDRO C=CCCC[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192032498 641957359 /nfs/dbraw/zinc/95/73/59/641957359.db2.gz SAXNHCDKXHLHGU-LBPRGKRZSA-N 1 0 237.343 2.370 20 30 BEEDRO C=CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)C(C)C ZINC000917071570 642003612 /nfs/dbraw/zinc/00/36/12/642003612.db2.gz WMFKCSHMKJFDQD-LBPRGKRZSA-N 1 0 226.364 2.044 20 30 BEEDRO C=CCN(Cc1nc(CC)no1)C(C)C 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C=CC[NH2+][C@H]1CCN(C(=O)C=C2CCCCC2)C1 ZINC001018590812 643000328 /nfs/dbraw/zinc/00/03/28/643000328.db2.gz IMTLBBPORRLFHG-AWEZNQCLSA-N 1 0 248.370 2.253 20 30 BEEDRO C#CC[NH+](CC#C)CCCOCc1ccccc1 ZINC000182429647 643018479 /nfs/dbraw/zinc/01/84/79/643018479.db2.gz HKIBAJUOSZXZFV-UHFFFAOYSA-N 1 0 241.334 2.162 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@]2(C)C=CCC2)C1 ZINC001019249259 643025291 /nfs/dbraw/zinc/02/52/91/643025291.db2.gz SMZMWTKXLCGEKT-ZFWWWQNUSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(C)(C)CC)C1 ZINC001019311399 643026687 /nfs/dbraw/zinc/02/66/87/643026687.db2.gz GGWTUKMCNLLSPE-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]CCC)C1 ZINC001019333737 643028597 /nfs/dbraw/zinc/02/85/97/643028597.db2.gz ANXIPFPEOKMHHT-JSGCOSHPSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]C(C)C)C1 ZINC001019334592 643028811 /nfs/dbraw/zinc/02/88/11/643028811.db2.gz VDDRBGSLIVZMPP-GXTWGEPZSA-N 1 0 238.375 2.188 20 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225.332 2.110 20 30 BEEDRO C=C(Cl)CN1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000306592184 643188782 /nfs/dbraw/zinc/18/87/82/643188782.db2.gz WFPZTPXRHWPUEI-GDPRMGEGSA-N 1 0 216.756 2.044 20 30 BEEDRO C#CC[N@H+](CC1(Br)CC1)C(C)C ZINC000932388002 643206116 /nfs/dbraw/zinc/20/61/16/643206116.db2.gz QMYRMMMHSNZMEU-UHFFFAOYSA-N 1 0 230.149 2.258 20 30 BEEDRO C[C@@H]1CC(=NOC/C=C\Cl)C[N@@H+]1C1CC1 ZINC000811671156 643206392 /nfs/dbraw/zinc/20/63/92/643206392.db2.gz AVGIQMGVGKFLRE-IEWVDLEPSA-N 1 0 228.723 2.368 20 30 BEEDRO C=CCNC(=[NH2+])NCc1c(C)oc2ccccc21 ZINC000184815657 643240367 /nfs/dbraw/zinc/24/03/67/643240367.db2.gz UAFQABGQMMIYBP-UHFFFAOYSA-N 1 0 243.310 2.332 20 30 BEEDRO CC(C)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034990809 643247224 /nfs/dbraw/zinc/24/72/24/643247224.db2.gz CDDRFTWHEYSTOL-UHFFFAOYSA-N 1 0 204.273 2.087 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000306441244 643325361 /nfs/dbraw/zinc/32/53/61/643325361.db2.gz IXHIXHYEADTVGW-SNVBAGLBSA-N 1 0 203.713 2.240 20 30 BEEDRO C[C@@H]1C(=[NH+]n2cnnc2)C[C@@H]1c1ccccc1 ZINC000767742533 643328656 /nfs/dbraw/zinc/32/86/56/643328656.db2.gz AZINHJNIPXFQAP-JQWIXIFHSA-N 1 0 226.283 2.306 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C(C)C)C1 ZINC000970155724 643343820 /nfs/dbraw/zinc/34/38/20/643343820.db2.gz UCQAFWOQJWHDDI-CHWSQXEVSA-N 1 0 238.375 2.045 20 30 BEEDRO C=CCCCC[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932639923 643387271 /nfs/dbraw/zinc/38/72/71/643387271.db2.gz SVVZIIRWNNDYCH-GFCCVEGCSA-N 1 0 225.332 2.228 20 30 BEEDRO C#CCCCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185857187 643405473 /nfs/dbraw/zinc/40/54/73/643405473.db2.gz UAUAVSYOSNJPRA-QWHCGFSZSA-N 1 0 204.317 2.462 20 30 BEEDRO C=C[C@H](CC)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000932720820 643419748 /nfs/dbraw/zinc/41/97/48/643419748.db2.gz SDNHYBXWRNRDFR-CHWSQXEVSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000932720823 643419994 /nfs/dbraw/zinc/41/99/94/643419994.db2.gz SDNHYBXWRNRDFR-STQMWFEESA-N 1 0 240.391 2.435 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N[C@H](C)C[NH+](CC)CC ZINC000932720821 643420704 /nfs/dbraw/zinc/42/07/04/643420704.db2.gz SDNHYBXWRNRDFR-OLZOCXBDSA-N 1 0 240.391 2.435 20 30 BEEDRO C=C(Br)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000307214592 643422618 /nfs/dbraw/zinc/42/26/18/643422618.db2.gz AMWLLZGYMKDAQA-XHNCKOQMSA-N 1 0 234.137 2.051 20 30 BEEDRO C=CC(C)(C)C(=O)N1CCC([NH2+]CCC)CC1 ZINC000996871788 643527443 /nfs/dbraw/zinc/52/74/43/643527443.db2.gz FRBDGDMHAVVAGB-UHFFFAOYSA-N 1 0 238.375 2.189 20 30 BEEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(C)(CC)CC)C1 ZINC000970752493 643531616 /nfs/dbraw/zinc/53/16/16/643531616.db2.gz FCFOAGIXWCPOSY-GFCCVEGCSA-N 1 0 238.375 2.189 20 30 BEEDRO C#CC[NH2+][C@@H]1C[C@H](OCC)C12CCCCC2 ZINC000083532218 643585145 /nfs/dbraw/zinc/58/51/45/643585145.db2.gz LVLBYXKIAJNTAR-OLZOCXBDSA-N 1 0 221.344 2.337 20 30 BEEDRO CCN1CCC[C@H]([NH2+]Cc2csc(C#N)c2)C1 ZINC000921583832 643613676 /nfs/dbraw/zinc/61/36/76/643613676.db2.gz SCGDZCGMMOQHQF-LBPRGKRZSA-N 1 0 249.383 2.194 20 30 BEEDRO C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1CCC[NH2+]C1 ZINC000050163938 643622797 /nfs/dbraw/zinc/62/27/97/643622797.db2.gz JZNCQPBBAYUPAY-GHMZBOCLSA-N 1 0 247.317 2.497 20 30 BEEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000971060960 643691568 /nfs/dbraw/zinc/69/15/68/643691568.db2.gz MXPQVOWVFSACPC-KGLIPLIRSA-N 1 0 248.370 2.061 20 30 BEEDRO CCCCCCCCCNC(=O)CC[NH3+] ZINC000236634105 643696415 /nfs/dbraw/zinc/69/64/15/643696415.db2.gz FEVXWIWPQAMUJK-UHFFFAOYSA-N 1 0 214.353 2.202 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)C[C@H]2C=CCC2)C1 ZINC000998432812 643706051 /nfs/dbraw/zinc/70/60/51/643706051.db2.gz LVLGXTHFOYGXQD-HSBZDZAISA-N 1 0 248.370 2.108 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C=C(C)C)C1 ZINC000998446886 643706902 /nfs/dbraw/zinc/70/69/02/643706902.db2.gz MUATUXPAMABXPX-ZDUSSCGKSA-N 1 0 236.359 2.109 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 ZINC000998508769 643711443 /nfs/dbraw/zinc/71/14/43/643711443.db2.gz WLMJXDGSFBYYOF-KGLIPLIRSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC000998800824 643723289 /nfs/dbraw/zinc/72/32/89/643723289.db2.gz WQMPNGBYPUIBAR-WBTMPAOCSA-N 1 0 248.370 2.109 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)/C=C\C2CC2)C1 ZINC000998800820 643723404 /nfs/dbraw/zinc/72/34/04/643723404.db2.gz WQMPNGBYPUIBAR-DANTVBBOSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+]C1CC(N(C)C(=O)C2(C)CC=CC2)C1 ZINC000999345348 643734616 /nfs/dbraw/zinc/73/46/16/643734616.db2.gz ZQQHSTWQPXARGM-UHFFFAOYSA-N 1 0 248.370 2.108 20 30 BEEDRO N#CCCCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921684430 643737651 /nfs/dbraw/zinc/73/76/51/643737651.db2.gz UNJZOHMRLLGRMT-UHFFFAOYSA-N 1 0 232.331 2.392 20 30 BEEDRO C=CC[NH2+][C@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001000076515 643749313 /nfs/dbraw/zinc/74/93/13/643749313.db2.gz FPRGPEXSKXIFQQ-ZDUSSCGKSA-N 1 0 248.370 2.109 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)C2(C)CC=CC2)C1 ZINC001000076513 643750171 /nfs/dbraw/zinc/75/01/71/643750171.db2.gz FPRGPEXSKXIFQQ-CYBMUJFWSA-N 1 0 248.370 2.109 20 30 BEEDRO N#Cc1cc(C[NH2+]CCOCC2CC2)cs1 ZINC000921711841 643760585 /nfs/dbraw/zinc/76/05/85/643760585.db2.gz LFJCORSTCYGUMP-UHFFFAOYSA-N 1 0 236.340 2.136 20 30 BEEDRO CC[C@H](C)[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000921735113 643767042 /nfs/dbraw/zinc/76/70/42/643767042.db2.gz XUGDZYCGXKEUSF-JOYOIKCWSA-N 1 0 238.356 2.116 20 30 BEEDRO CC[C@@H](C)[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000921735111 643767274 /nfs/dbraw/zinc/76/72/74/643767274.db2.gz XUGDZYCGXKEUSF-BXKDBHETSA-N 1 0 238.356 2.116 20 30 BEEDRO C[C@@]1(C[NH2+]Cc2csc(C#N)c2)CCOC1 ZINC000921735847 643767570 /nfs/dbraw/zinc/76/75/70/643767570.db2.gz CLSQNXKVFBVVFO-LBPRGKRZSA-N 1 0 236.340 2.136 20 30 BEEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C(C)C)C1 ZINC001000354813 643778141 /nfs/dbraw/zinc/77/81/41/643778141.db2.gz KHAPWRMUGUZUKZ-QWHCGFSZSA-N 1 0 238.375 2.045 20 30 BEEDRO C[C@@H]([NH2+]Cc1csc(C#N)c1)[C@H]1CCOC1 ZINC000921783091 643783782 /nfs/dbraw/zinc/78/37/82/643783782.db2.gz MWBIRFYZBZZFHF-KOLCDFICSA-N 1 0 236.340 2.134 20 30 BEEDRO C#CCCC[NH2+]Cc1cnn(CC2CCC2)c1 ZINC000921793967 643791166 /nfs/dbraw/zinc/79/11/66/643791166.db2.gz OSDBRVIHVYNSQM-UHFFFAOYSA-N 1 0 231.343 2.186 20 30 BEEDRO C=CCC[C@@H](CO)[NH2+]CC1(C)CCCC1 ZINC000320713237 643795170 /nfs/dbraw/zinc/79/51/70/643795170.db2.gz HIBCGYIUTANKGE-LBPRGKRZSA-N 1 0 211.349 2.483 20 30 BEEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC001000754829 643797768 /nfs/dbraw/zinc/79/77/68/643797768.db2.gz SVOAQFXHTRLJQL-LBPRGKRZSA-N 1 0 238.375 2.189 20 30 BEEDRO C=C(C)COCC[NH2+]Cc1cnn(C2CCC2)c1 ZINC000921845795 643807720 /nfs/dbraw/zinc/80/77/20/643807720.db2.gz AFNGGKURJZMFJE-UHFFFAOYSA-N 1 0 249.358 2.290 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OC)cc1C ZINC000921993967 643838522 /nfs/dbraw/zinc/83/85/22/643838522.db2.gz NGVKTJYPXXJJHD-ZDUSSCGKSA-N 1 0 235.327 2.030 20 30 BEEDRO C=CCCCC[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922008053 643843779 /nfs/dbraw/zinc/84/37/79/643843779.db2.gz ZWEIZQMUWKPNLS-UHFFFAOYSA-N 1 0 233.359 2.355 20 30 BEEDRO N#Cc1cc(C[NH2+]C[C@H]2CCSC2)cs1 ZINC000922080746 643858981 /nfs/dbraw/zinc/85/89/81/643858981.db2.gz ZOHNYOVWBBMGKY-SECBINFHSA-N 1 0 238.381 2.462 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922092525 643861216 /nfs/dbraw/zinc/86/12/16/643861216.db2.gz WKWHCFZLVHXWFU-LLVKDONJSA-N 1 0 206.289 2.232 20 30 BEEDRO COCC(C)(C)C[NH2+]Cc1csc(C#N)c1 ZINC000922143195 643872123 /nfs/dbraw/zinc/87/21/23/643872123.db2.gz MQPUHKMWCFDGKI-UHFFFAOYSA-N 1 0 238.356 2.382 20 30 BEEDRO C[C@H](F)CC[NH2+]Cc1csc(C#N)c1 ZINC000922149290 643873407 /nfs/dbraw/zinc/87/34/07/643873407.db2.gz OFGALSJCYRLOLU-QMMMGPOBSA-N 1 0 212.293 2.457 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1csc(C#N)c1 ZINC000922159248 643879003 /nfs/dbraw/zinc/87/90/03/643879003.db2.gz MKUFNCHKIRWPHI-NEPJUHHUSA-N 1 0 234.324 2.053 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc2c1OCC2 ZINC000922160108 643880437 /nfs/dbraw/zinc/88/04/37/643880437.db2.gz UOCOAMUQJBTLRL-KGLIPLIRSA-N 1 0 245.322 2.055 20 30 BEEDRO C=CCSCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925352466 643883295 /nfs/dbraw/zinc/88/32/95/643883295.db2.gz NIGVTAWUUDHNSG-PNESKVBLSA-N 1 0 241.400 2.453 20 30 BEEDRO N#Cc1cc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cs1 ZINC000922297873 643959237 /nfs/dbraw/zinc/95/92/37/643959237.db2.gz ZELHPIRPTMBXNY-AAEUAGOBSA-N 1 0 248.351 2.277 20 30 BEEDRO C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(OC)OC)C1 ZINC000922314225 643966916 /nfs/dbraw/zinc/96/69/16/643966916.db2.gz WUNUSOKMHCSBDW-QJPTWQEYSA-N 1 0 227.348 2.328 20 30 BEEDRO C=CC[N@H+](Cc1cc(C)nnc1C)C(C)C ZINC000929293519 643972202 /nfs/dbraw/zinc/97/22/02/643972202.db2.gz XPRIJTCCQSIBMF-UHFFFAOYSA-N 1 0 219.332 2.490 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccnn1C1CCC1 ZINC000922335530 643973902 /nfs/dbraw/zinc/97/39/02/643973902.db2.gz LYRQEONSMAXOSZ-LBPRGKRZSA-N 1 0 249.358 2.025 20 30 BEEDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C#N ZINC000922582775 644033629 /nfs/dbraw/zinc/03/36/29/644033629.db2.gz XPUYEDZBCURWQO-LLVKDONJSA-N 1 0 232.327 2.461 20 30 BEEDRO CCC[C@@H](O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000922817779 644106891 /nfs/dbraw/zinc/10/68/91/644106891.db2.gz AELFCHFJHCBRMW-LLVKDONJSA-N 1 0 238.356 2.260 20 30 BEEDRO Cc1ccccc1[C@H](C)[N@H+](C)C[C@H](O)CC#N ZINC000929326052 644137459 /nfs/dbraw/zinc/13/74/59/644137459.db2.gz OYGMNHQNVWCFBN-QWHCGFSZSA-N 1 0 232.327 2.262 20 30 BEEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000186711292 644138648 /nfs/dbraw/zinc/13/86/48/644138648.db2.gz LOMFYBRIHIDAAF-RISCZKNCSA-N 1 0 247.338 2.209 20 30 BEEDRO C=C(C)CC[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001005018790 644160702 /nfs/dbraw/zinc/16/07/02/644160702.db2.gz SKFZQSGETUKVFJ-UHFFFAOYSA-N 1 0 238.375 2.285 20 30 BEEDRO CCCCNC(=[NH2+])NCC1(OC)CCCCC1 ZINC000187039939 644189036 /nfs/dbraw/zinc/18/90/36/644189036.db2.gz IMMZIZSEBGAIOK-UHFFFAOYSA-N 1 0 241.379 2.040 20 30 BEEDRO C#C[C@H](C)NC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000187048456 644200076 /nfs/dbraw/zinc/20/00/76/644200076.db2.gz FCSADMAPUZNWNK-RYUDHWBXSA-N 1 0 223.364 2.127 20 30 BEEDRO CSCCCCCNC(=[NH2+])NCCC(C)C ZINC000187051429 644203697 /nfs/dbraw/zinc/20/36/97/644203697.db2.gz ICKMIZNCXRFJDG-UHFFFAOYSA-N 1 0 245.436 2.470 20 30 BEEDRO C#CCC1([NH2+]Cc2csc(C)n2)CCC1 ZINC000923000589 644218761 /nfs/dbraw/zinc/21/87/61/644218761.db2.gz MLAZDJDHBGALKI-UHFFFAOYSA-N 1 0 220.341 2.487 20 30 BEEDRO C#CCC1([NH2+]C[C@H]2CCO[C@@H](C)C2)CCC1 ZINC000922997511 644220968 /nfs/dbraw/zinc/22/09/68/644220968.db2.gz JLKCMOXYEZBZFX-STQMWFEESA-N 1 0 221.344 2.337 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(F)nc2)CCC1 ZINC000922997145 644221073 /nfs/dbraw/zinc/22/10/73/644221073.db2.gz FUHIMDFZRNMDAC-UHFFFAOYSA-N 1 0 218.275 2.256 20 30 BEEDRO C#CCC1([NH2+]Cc2ccc(C)nc2)CCC1 ZINC000922998512 644224262 /nfs/dbraw/zinc/22/42/62/644224262.db2.gz VKMVSIIQKMMRKF-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO C#CCC1([NH2+]Cc2ccncc2C)CCC1 ZINC000922998405 644224877 /nfs/dbraw/zinc/22/48/77/644224877.db2.gz JDWJORKHPMBGAX-UHFFFAOYSA-N 1 0 214.312 2.426 20 30 BEEDRO CCCCCCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193626731 644261438 /nfs/dbraw/zinc/26/14/38/644261438.db2.gz FOJJVOKXRDAUEF-NEPJUHHUSA-N 1 0 226.364 2.071 20 30 BEEDRO CCCCCCCCCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000084602349 644428825 /nfs/dbraw/zinc/42/88/25/644428825.db2.gz HKRKZWHOIYXMBZ-OKILXGFUSA-N 1 0 243.391 2.165 20 30 BEEDRO C=C(Cl)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245553243 644531580 /nfs/dbraw/zinc/53/15/80/644531580.db2.gz RBRDMGSOEAEFIC-GHMZBOCLSA-N 1 0 217.740 2.222 20 30 BEEDRO C#CC[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(CC)CC ZINC000245890122 644550353 /nfs/dbraw/zinc/55/03/53/644550353.db2.gz MBWMYUQIISISLS-QJPTWQEYSA-N 1 0 209.333 2.049 20 30 BEEDRO CCCCCCC[N@@H+]1CCNC(=O)C1(C)C ZINC000740876820 644560569 /nfs/dbraw/zinc/56/05/69/644560569.db2.gz IKXJUMQRXTXRGW-UHFFFAOYSA-N 1 0 226.364 2.167 20 30 BEEDRO C#CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000752853630 644603819 /nfs/dbraw/zinc/60/38/19/644603819.db2.gz FIYXBCJDRYMMDQ-UHFFFAOYSA-N 1 0 234.387 2.208 20 30 BEEDRO C#CCOc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)cc1 ZINC000090774562 644605164 /nfs/dbraw/zinc/60/51/64/644605164.db2.gz SDCZJBKSIWVUPR-OCCSQVGLSA-N 1 0 245.322 2.138 20 30 BEEDRO C[N@H+](Cc1ccc(C#N)o1)Cc1ccccc1O ZINC000091956721 644644935 /nfs/dbraw/zinc/64/49/35/644644935.db2.gz NNVLIVWENSWGPC-UHFFFAOYSA-N 1 0 242.278 2.489 20 30 BEEDRO C#CCCC[NH2+][C@@H](CC)c1c(C)nn(C)c1C ZINC000766234463 644665105 /nfs/dbraw/zinc/66/51/05/644665105.db2.gz VTCHBDVZRGLLRJ-ZDUSSCGKSA-N 1 0 233.359 2.491 20 30 BEEDRO C#CCCC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000766978703 644672754 /nfs/dbraw/zinc/67/27/54/644672754.db2.gz SGZXQRIABKXKIH-UKRRQHHQSA-N 1 0 231.339 2.154 20 30 BEEDRO C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccc(C#N)cc1 ZINC000093212197 644682125 /nfs/dbraw/zinc/68/21/25/644682125.db2.gz XHLMXJQICYBDEF-TUKIKUTGSA-N 1 0 243.354 2.479 20 30 BEEDRO CCC(C[C@H](C)CC)=NNC1=[NH+][C@@H](C)CN1 ZINC000779798448 644714892 /nfs/dbraw/zinc/71/48/92/644714892.db2.gz CYMHVABOQFHTKN-ZJUUUORDSA-N 1 0 224.352 2.126 20 30 BEEDRO CCC(C[C@H](C)CC)=NNC1=[NH+][C@H](C)CN1 ZINC000779798443 644715512 /nfs/dbraw/zinc/71/55/12/644715512.db2.gz CYMHVABOQFHTKN-NXEZZACHSA-N 1 0 224.352 2.126 20 30 BEEDRO CC(C[C@H](C)CC(C)C)=NNC1=[NH+][C@@H](C)CN1 ZINC000779797886 644715825 /nfs/dbraw/zinc/71/58/25/644715825.db2.gz LJBXLHLFIXWNJM-PWSUYJOCSA-N 1 0 238.379 2.372 20 30 BEEDRO C[C@@]1(C[NH2+]CC#Cc2ccccc2)CCCO1 ZINC000094801820 644728753 /nfs/dbraw/zinc/72/87/53/644728753.db2.gz ICSIBADQMJWFLN-HNNXBMFYSA-N 1 0 229.323 2.197 20 30 BEEDRO C#CCC[N@H+]1CCC[C@@](OC)(C(F)(F)F)C1 ZINC000781983960 644737309 /nfs/dbraw/zinc/73/73/09/644737309.db2.gz HZHHSWSMRNXHQZ-JTQLQIEISA-N 1 0 235.249 2.053 20 30 BEEDRO C=CCC1(C(=O)OCCC[NH+](C)C)CCC1 ZINC000792173000 644793910 /nfs/dbraw/zinc/79/39/10/644793910.db2.gz YLTQURAVXYHDES-UHFFFAOYSA-N 1 0 225.332 2.228 20 30 BEEDRO CCNC(NC[C@@H]1CCC[C@@H](C)C1)=[NH+]CC ZINC000303391338 644820227 /nfs/dbraw/zinc/82/02/27/644820227.db2.gz YXOMJZVWSGLRDC-VXGBXAGGSA-N 1 0 225.380 2.388 20 30 BEEDRO Cc1ccc(OCCNC(=[NH2+])NC(C)(C)C)cc1 ZINC000303711431 644840393 /nfs/dbraw/zinc/84/03/93/644840393.db2.gz PKRXGMXDTGRYMD-UHFFFAOYSA-N 1 0 249.358 2.077 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000303774874 644844117 /nfs/dbraw/zinc/84/41/17/644844117.db2.gz GGUMZVNGMFKTOQ-CHWSQXEVSA-N 1 0 231.343 2.199 20 30 BEEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H]1c1ccccc1 ZINC000303774876 644845128 /nfs/dbraw/zinc/84/51/28/644845128.db2.gz GGUMZVNGMFKTOQ-QWHCGFSZSA-N 1 0 231.343 2.199 20 30 BEEDRO Cc1ccccc1CCNC(=[NH2+])NCC1CCC1 ZINC000303787140 644846031 /nfs/dbraw/zinc/84/60/31/644846031.db2.gz SEISOOGSWHHBJL-UHFFFAOYSA-N 1 0 245.370 2.242 20 30 BEEDRO CC[C@@]1(C)CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801926309 644847209 /nfs/dbraw/zinc/84/72/09/644847209.db2.gz VSKHNRHWFSFERO-OLZOCXBDSA-N 1 0 224.348 2.427 20 30 BEEDRO CC(C)CCNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000303792686 644848039 /nfs/dbraw/zinc/84/80/39/644848039.db2.gz YQGGPELEHSNWRT-KGLIPLIRSA-N 1 0 245.370 2.493 20 30 BEEDRO Cc1cccc(CCNC(=[NH2+])NCCC(C)C)c1 ZINC000303866404 644850507 /nfs/dbraw/zinc/85/05/07/644850507.db2.gz CHVJYIZCMCVFOK-UHFFFAOYSA-N 1 0 247.386 2.488 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cccc(OCC)c1 ZINC000303872479 644850787 /nfs/dbraw/zinc/85/07/87/644850787.db2.gz BZVKERUMHLUONG-UHFFFAOYSA-N 1 0 247.342 2.066 20 30 BEEDRO Cc1ccc(CNC(=[NH2+])NC(C)C)c(C)c1 ZINC000303873100 644852949 /nfs/dbraw/zinc/85/29/49/644852949.db2.gz CFIFFZAPALEPIB-UHFFFAOYSA-N 1 0 219.332 2.116 20 30 BEEDRO CO[C@H]1C[C@@H]([NH2+]CC(C)(C)CC#N)C12CCC2 ZINC000414158906 644853255 /nfs/dbraw/zinc/85/32/55/644853255.db2.gz ASGAGYWFJUYYGE-NEPJUHHUSA-N 1 0 236.359 2.473 20 30 BEEDRO CC(C)CCCNC(=[NH2+])N1CCCCC1 ZINC000303896196 644855678 /nfs/dbraw/zinc/85/56/78/644855678.db2.gz PUWMWFXFJAVMNP-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO CC(C)CCCNC(=[NH2+])NCC1CCC1 ZINC000303898927 644856342 /nfs/dbraw/zinc/85/63/42/644856342.db2.gz RKMUIBAPGKQMFH-UHFFFAOYSA-N 1 0 211.353 2.127 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCc1cc2ccccc2o1 ZINC000303902045 644856480 /nfs/dbraw/zinc/85/64/80/644856480.db2.gz XOTWVYKYRPPXBK-UHFFFAOYSA-N 1 0 243.310 2.413 20 30 BEEDRO C=C(Cl)C[N@@H+](CCO)CCCCC ZINC000304077621 644870006 /nfs/dbraw/zinc/87/00/06/644870006.db2.gz XOPWWXVGBRNRFG-UHFFFAOYSA-N 1 0 205.729 2.223 20 30 BEEDRO CCNC(NC[C@@H]1C[C@H]1c1ccccc1)=[NH+]CC ZINC000304079811 644870885 /nfs/dbraw/zinc/87/08/85/644870885.db2.gz YJPREBFOGDVCCM-KBPBESRZSA-N 1 0 245.370 2.365 20 30 BEEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C ZINC000304212814 644875378 /nfs/dbraw/zinc/87/53/78/644875378.db2.gz FNNYAVUIZPCLNM-MROQNXINSA-N 1 0 224.348 2.281 20 30 BEEDRO CC[C@@H]1CCC[N@H+](CCO[C@@H](C)C#N)CC1 ZINC000304233431 644878931 /nfs/dbraw/zinc/87/89/31/644878931.db2.gz LMIPLWQXYSDOAH-QWHCGFSZSA-N 1 0 224.348 2.427 20 30 BEEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H]1CCC[C@@H](C)C1 ZINC000304242390 644879853 /nfs/dbraw/zinc/87/98/53/644879853.db2.gz OEHJTOBOHPHAAP-AGIUHOORSA-N 1 0 224.348 2.426 20 30 BEEDRO C[C@@H](C#N)OCC[NH+](CC1CC1)CC1CC1 ZINC000304240504 644880551 /nfs/dbraw/zinc/88/05/51/644880551.db2.gz NRHDQNSKOCJIBE-NSHDSACASA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](C#N)OCC[NH2+][C@H]1CC[C@@H](C)C[C@H]1C ZINC000304241436 644880748 /nfs/dbraw/zinc/88/07/48/644880748.db2.gz NUZFOGIWJQXEHT-NDBYEHHHSA-N 1 0 224.348 2.329 20 30 BEEDRO C=C(C)C[N@H+](C)C[C@H](O)c1ccc(F)cc1 ZINC000304245843 644882174 /nfs/dbraw/zinc/88/21/74/644882174.db2.gz VHSKBILQXJDAIX-ZDUSSCGKSA-N 1 0 223.291 2.367 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000809572531 644890942 /nfs/dbraw/zinc/89/09/42/644890942.db2.gz ORBFSKYQEKLQJV-AWEZNQCLSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(CN2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000809572533 644892403 /nfs/dbraw/zinc/89/24/03/644892403.db2.gz ORBFSKYQEKLQJV-CQSZACIVSA-N 1 0 242.366 2.194 20 30 BEEDRO C#Cc1ccc(C[NH2+]CCc2nccs2)cc1 ZINC000809611462 644893811 /nfs/dbraw/zinc/89/38/11/644893811.db2.gz DBZBZFJPOUQQDU-UHFFFAOYSA-N 1 0 242.347 2.457 20 30 BEEDRO C#C[C@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1 ZINC000809683620 644895740 /nfs/dbraw/zinc/89/57/40/644895740.db2.gz GGNIAAPQSBBLMK-QWRGUYRKSA-N 1 0 224.307 2.246 20 30 BEEDRO CCN(CC)C(=[NH2+])NCC1(C)CCCC1 ZINC000304742332 644929032 /nfs/dbraw/zinc/92/90/32/644929032.db2.gz CPVLLFYFBUFQMA-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO C=CCOc1ccccc1CNC(=[NH2+])NC(C)C ZINC000304743787 644929370 /nfs/dbraw/zinc/92/93/70/644929370.db2.gz DHKXXPSINFVIMP-UHFFFAOYSA-N 1 0 247.342 2.064 20 30 BEEDRO C=C(C)CNC(=[NH2+])NCCCc1cccc(F)c1 ZINC000304756353 644930814 /nfs/dbraw/zinc/93/08/14/644930814.db2.gz NQIMIZMBPKIJJL-UHFFFAOYSA-N 1 0 249.333 2.239 20 30 BEEDRO CCCNC(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304758203 644930820 /nfs/dbraw/zinc/93/08/20/644930820.db2.gz PRQJNHPZDIPBLS-STQMWFEESA-N 1 0 231.343 2.104 20 30 BEEDRO CCN(CC)C(=[NH2+])NC[C@@H]1C[C@H]1c1ccccc1 ZINC000304754104 644930966 /nfs/dbraw/zinc/93/09/66/644930966.db2.gz LOYYGLBHCITJHU-KBPBESRZSA-N 1 0 245.370 2.447 20 30 BEEDRO CCC(CC)CNC(=[NH2+])N1CCCCC1 ZINC000304754634 644931431 /nfs/dbraw/zinc/93/14/31/644931431.db2.gz LZMOYCCOCKUSHR-UHFFFAOYSA-N 1 0 211.353 2.223 20 30 BEEDRO CCO[C@@H](CCNC(=[NH2+])N(CC)CC)C(C)C ZINC000304784694 644932933 /nfs/dbraw/zinc/93/29/33/644932933.db2.gz HPSPVKHLNTZTBB-LBPRGKRZSA-N 1 0 243.395 2.094 20 30 BEEDRO CCCC[C@@H](CCC)CNC(=[NH2+])NCCOC ZINC000304832528 644933656 /nfs/dbraw/zinc/93/36/56/644933656.db2.gz LGFQVPPFIREOQA-GFCCVEGCSA-N 1 0 243.395 2.144 20 30 BEEDRO CCCNC(=[NH2+])NC[C@H](C)c1cccc(C)c1 ZINC000304805726 644934935 /nfs/dbraw/zinc/93/49/35/644934935.db2.gz RMBPBSJFPBEDQX-LBPRGKRZSA-N 1 0 233.359 2.413 20 30 BEEDRO CC(C)C1(CNC(=[NH2+])N2CCCCC2)CC1 ZINC000304855800 644936023 /nfs/dbraw/zinc/93/60/23/644936023.db2.gz WYKVIBXWTUHAEF-UHFFFAOYSA-N 1 0 223.364 2.223 20 30 BEEDRO CC[C@H](C)NC(=[NH2+])NCC1(C(C)C)CC1 ZINC000304856575 644936669 /nfs/dbraw/zinc/93/66/69/644936669.db2.gz XYUSPQGGUQKJKL-JTQLQIEISA-N 1 0 211.353 2.125 20 30 BEEDRO C#CCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000253095686 644937539 /nfs/dbraw/zinc/93/75/39/644937539.db2.gz PLPWSPQXUOYGNM-MCIONIFRSA-N 1 0 221.344 2.025 20 30 BEEDRO CC(=[NH+]N[C@@H](C)C(C)(C)C)c1ccc(N)nc1 ZINC000814937482 644945680 /nfs/dbraw/zinc/94/56/80/644945680.db2.gz HXNVJDUULPZJON-JTQLQIEISA-N 1 0 234.347 2.412 20 30 BEEDRO C#CC[NH+](CC#C)Cc1ccc(N(C)C)c(C)c1 ZINC000815055867 644949604 /nfs/dbraw/zinc/94/96/04/644949604.db2.gz QJZDGZABMIGOAF-UHFFFAOYSA-N 1 0 240.350 2.129 20 30 BEEDRO C#C[C@@H]([NH2+][C@H](C)CSCCF)C(C)C ZINC000825878662 645063422 /nfs/dbraw/zinc/06/34/22/645063422.db2.gz VDKGNVQQPBUZCA-GHMZBOCLSA-N 1 0 217.353 2.325 20 30 BEEDRO CC[C@@H]1C[C@H](C[NH+]2CC(CC#N)C2)CCO1 ZINC000826990473 645070829 /nfs/dbraw/zinc/07/08/29/645070829.db2.gz GRHQVEMBDZCQNR-DGCLKSJQSA-N 1 0 222.332 2.037 20 30 BEEDRO CC[C@H]1C[C@H](C[NH+]2CC(CC#N)C2)CCO1 ZINC000826990475 645071256 /nfs/dbraw/zinc/07/12/56/645071256.db2.gz GRHQVEMBDZCQNR-YPMHNXCESA-N 1 0 222.332 2.037 20 30 BEEDRO C#CC[C@@H]1CCC[N@@H+](Cc2cnc(C)cn2)C1 ZINC000829778922 645111102 /nfs/dbraw/zinc/11/11/02/645111102.db2.gz KLOHCBUDFXUCAB-CYBMUJFWSA-N 1 0 229.327 2.020 20 30 BEEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)CCC#N)C1 ZINC000829809892 645111552 /nfs/dbraw/zinc/11/15/52/645111552.db2.gz JRYOQBFBYKKZEA-OLZOCXBDSA-N 1 0 204.317 2.414 20 30 BEEDRO C#CC1CC[NH+](C[C@H](O)c2cccc(F)c2)CC1 ZINC000830316487 645117896 /nfs/dbraw/zinc/11/78/96/645117896.db2.gz UUBNREHWVHVRAR-HNNXBMFYSA-N 1 0 247.313 2.204 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000830345487 645120658 /nfs/dbraw/zinc/12/06/58/645120658.db2.gz FOMJLTZAKLKVET-UHFFFAOYSA-N 1 0 218.275 2.066 20 30 BEEDRO C#CC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000830345553 645120825 /nfs/dbraw/zinc/12/08/25/645120825.db2.gz IDLXODSQCYNOKL-CHWSQXEVSA-N 1 0 202.301 2.024 20 30 BEEDRO Cc1ccc(CNN=C2C[C@@H](C)N(C)C2)cc1 ZINC000835009303 645161454 /nfs/dbraw/zinc/16/14/54/645161454.db2.gz TZNVZJLXOFVZGY-GFCCVEGCSA-N 1 0 231.343 2.165 20 30 BEEDRO Cc1ccc(CNN=C2CN(C)C[C@@H]2C)cc1 ZINC000835009247 645162159 /nfs/dbraw/zinc/16/21/59/645162159.db2.gz STWIRWOXSGPDRP-LBPRGKRZSA-N 1 0 231.343 2.022 20 30 BEEDRO CCCCCCCCNC(=O)NC(C)(C)C[NH3+] ZINC000841863401 645232228 /nfs/dbraw/zinc/23/22/28/645232228.db2.gz BTPPREDQSBXSMM-UHFFFAOYSA-N 1 0 243.395 2.383 20 30 BEEDRO C=C(C)CC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926517412 645250380 /nfs/dbraw/zinc/25/03/80/645250380.db2.gz BQGXNCUPNJAAIL-PNESKVBLSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@H](C)c1nn(CC)nc1C ZINC000926521097 645252950 /nfs/dbraw/zinc/25/29/50/645252950.db2.gz LLQCPHGXMUTGJY-SNVBAGLBSA-N 1 0 236.363 2.469 20 30 BEEDRO C=CC(C)(C)C[NH2+][C@@H](C)c1nn(CC)nc1C ZINC000926521094 645253357 /nfs/dbraw/zinc/25/33/57/645253357.db2.gz LLQCPHGXMUTGJY-JTQLQIEISA-N 1 0 236.363 2.469 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](CC)C[C@@](C)(O)CC ZINC000926528309 645255129 /nfs/dbraw/zinc/25/51/29/645255129.db2.gz XGURYWHGKOULON-CRWXNKLISA-N 1 0 241.375 2.249 20 30 BEEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926532536 645257330 /nfs/dbraw/zinc/25/73/30/645257330.db2.gz TYMZUYAUDHAFNG-RTXFEEFZSA-N 1 0 248.326 2.171 20 30 BEEDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CC(C)(C)C#N)C1 ZINC000926563410 645285252 /nfs/dbraw/zinc/28/52/52/645285252.db2.gz HHSVZALKIQQPTA-SDDRHHMPSA-N 1 0 224.348 2.472 20 30 BEEDRO C[C@H]([NH2+]CC(C)(C)CC#N)c1ncc[nH]1 ZINC000926569789 645289246 /nfs/dbraw/zinc/28/92/46/645289246.db2.gz UCEVUVZYRJXLCK-VIFPVBQESA-N 1 0 206.293 2.000 20 30 BEEDRO C#CC1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000843426644 645291697 /nfs/dbraw/zinc/29/16/97/645291697.db2.gz DXKWZDRGYGRAGB-UHFFFAOYSA-N 1 0 233.311 2.271 20 30 BEEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C1(Cl)CC1 ZINC000926611877 645314123 /nfs/dbraw/zinc/31/41/23/645314123.db2.gz SJKYRLJTAUNZRM-VWYCJHECSA-N 1 0 229.751 2.327 20 30 BEEDRO C[C@H]1CC2(CC([NH2+]CC3(C#N)CCC3)C2)CO1 ZINC000926624111 645319729 /nfs/dbraw/zinc/31/97/29/645319729.db2.gz HSSTUFMXBFTPRK-DCBWTQNWSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@H]([NH2+]CC1(C#N)CCC1)C1(Cl)CC1 ZINC000926626946 645321544 /nfs/dbraw/zinc/32/15/44/645321544.db2.gz MFBTUXHZEIBNPK-VIFPVBQESA-N 1 0 212.724 2.430 20 30 BEEDRO C=CCCCCC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000926667121 645345691 /nfs/dbraw/zinc/34/56/91/645345691.db2.gz YFODMWWGWRVMHA-OLZOCXBDSA-N 1 0 238.375 2.380 20 30 BEEDRO N#CC1(C[NH2+][C@@H]2CN3C[C@@H]2CCC3)CCCCC1 ZINC000926710815 645376297 /nfs/dbraw/zinc/37/62/97/645376297.db2.gz CMPGBRBBGZGHPO-UONOGXRCSA-N 1 0 247.386 2.144 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@H](CO)CC1CC1 ZINC000926714447 645377957 /nfs/dbraw/zinc/37/79/57/645377957.db2.gz NGMOFYMWQVDVKS-WCQYABFASA-N 1 0 238.375 2.313 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](CCC(C)(C)OC)C1 ZINC000847017921 645415530 /nfs/dbraw/zinc/41/55/30/645415530.db2.gz FJKFYNQNBWOSFO-GFCCVEGCSA-N 1 0 209.333 2.147 20 30 BEEDRO C#C[C@@H]1CCC[N@@H+](Cc2cncc(C)c2)C1 ZINC000847017268 645416642 /nfs/dbraw/zinc/41/66/42/645416642.db2.gz AUEHQAJHWASFIQ-CYBMUJFWSA-N 1 0 214.312 2.235 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN(C)CC(F)F ZINC000926776123 645422976 /nfs/dbraw/zinc/42/29/76/645422976.db2.gz OKIFGHZGIFHIJG-JTQLQIEISA-N 1 0 247.333 2.101 20 30 BEEDRO N#CCCN1CC[NH+]([C@H]2CC3CCC2CC3)CC1 ZINC000926806327 645439895 /nfs/dbraw/zinc/43/98/95/645439895.db2.gz GHTZGQAXAKKVMH-NRXISQOPSA-N 1 0 247.386 2.096 20 30 BEEDRO C#C[C@H]1CCC[N@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000848924649 645445702 /nfs/dbraw/zinc/44/57/02/645445702.db2.gz XMIAUPONXULHIA-ZDUSSCGKSA-N 1 0 240.350 2.416 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926862127 645459382 /nfs/dbraw/zinc/45/93/82/645459382.db2.gz FAZHKHODAGFTBG-REWJHTLYSA-N 1 0 221.344 2.258 20 30 BEEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1ccns1 ZINC000926862124 645460380 /nfs/dbraw/zinc/46/03/80/645460380.db2.gz DZJIFAJLEHFCNR-ZJUUUORDSA-N 1 0 226.345 2.121 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1C[C@H]2C=C[C@@H]1CC2 ZINC000926862126 645460444 /nfs/dbraw/zinc/46/04/44/645460444.db2.gz FAZHKHODAGFTBG-DGAVXFQQSA-N 1 0 221.344 2.258 20 30 BEEDRO CC1(C)CC2(CC([NH2+]CC3(C#N)CC3)C2)CO1 ZINC000926873849 645468964 /nfs/dbraw/zinc/46/89/64/645468964.db2.gz JUAGAIADFLEYDZ-UHFFFAOYSA-N 1 0 234.343 2.227 20 30 BEEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)C2NCC1(C#N)CCCC1 ZINC000926874318 645469327 /nfs/dbraw/zinc/46/93/27/645469327.db2.gz ORYLYBAZPULPJK-PBWFPOADSA-N 1 0 247.386 2.000 20 30 BEEDRO CO[C@@H]1CC[C@H]([N@@H+]2Cc3cccc(C#N)c3C2)C1 ZINC000852216020 645476613 /nfs/dbraw/zinc/47/66/13/645476613.db2.gz XXLJDFLJNAEEKP-UONOGXRCSA-N 1 0 242.322 2.441 20 30 BEEDRO C#CCOCC[N@H+]1CC[C@H]1c1ccc(F)cc1 ZINC000852467443 645485945 /nfs/dbraw/zinc/48/59/45/645485945.db2.gz IHHYZCVSXHBIFQ-AWEZNQCLSA-N 1 0 233.286 2.222 20 30 BEEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)C1 ZINC000926938580 645491819 /nfs/dbraw/zinc/49/18/19/645491819.db2.gz VUXODBOWJDCILZ-RMEBNNNOSA-N 1 0 246.354 2.249 20 30 BEEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@H]2C(F)(F)F)C1 ZINC000926948220 645495519 /nfs/dbraw/zinc/49/55/19/645495519.db2.gz IUONVOFVBXQGET-AATLWQCWSA-N 1 0 232.249 2.467 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CC1CC2(C1)OCCO2 ZINC000927002759 645510756 /nfs/dbraw/zinc/51/07/56/645510756.db2.gz ZMYGKWOEODWLKZ-LLVKDONJSA-N 1 0 225.332 2.084 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCOC1CCOCC1 ZINC000927078148 645540665 /nfs/dbraw/zinc/54/06/65/645540665.db2.gz FXFKXJGVOKJBIR-GFCCVEGCSA-N 1 0 227.348 2.126 20 30 BEEDRO C=CCC[C@@H](C)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927163452 645579329 /nfs/dbraw/zinc/57/93/29/645579329.db2.gz JLWVIUZXFNUNHW-GFCCVEGCSA-N 1 0 244.342 2.309 20 30 BEEDRO CC[C@@H]([NH2+]CCNc1ccc(C#N)cn1)C1CC1 ZINC000927164159 645579594 /nfs/dbraw/zinc/57/95/94/645579594.db2.gz IFHLNAVQTMBOGH-CYBMUJFWSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)C(C)(C)C ZINC000927164908 645580178 /nfs/dbraw/zinc/58/01/78/645580178.db2.gz QATQNGIXYUEZIG-LLVKDONJSA-N 1 0 246.358 2.389 20 30 BEEDRO CC[C@H]1CC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927168371 645580518 /nfs/dbraw/zinc/58/05/18/645580518.db2.gz RXFIJZHNCUYVFR-STQMWFEESA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@@H]([NH2+]CCNc1ccc(C#N)cn1)C1CCC1 ZINC000927165325 645581206 /nfs/dbraw/zinc/58/12/06/645581206.db2.gz PLNJQODSFJOZPF-LLVKDONJSA-N 1 0 244.342 2.143 20 30 BEEDRO C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000034673862 645635526 /nfs/dbraw/zinc/63/55/26/645635526.db2.gz GNPUDNWUFIQCKJ-DOMZBBRYSA-N 1 0 244.338 2.466 20 30 BEEDRO C#CC[C@H]1CC[N@H+](Cc2cnc(C3CC3)o2)C1 ZINC000862447548 645697518 /nfs/dbraw/zinc/69/75/18/645697518.db2.gz NWVIHLOQDVUVFW-NSHDSACASA-N 1 0 230.311 2.397 20 30 BEEDRO C#C[C@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCO2)CC1 ZINC000872138951 645765267 /nfs/dbraw/zinc/76/52/67/645765267.db2.gz CAHPBLUTKQGLJR-SYQHCUMBSA-N 1 0 221.344 2.336 20 30 BEEDRO C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877458999 645797084 /nfs/dbraw/zinc/79/70/84/645797084.db2.gz DSNNERJURZUAHJ-MNOVXSKESA-N 1 0 215.300 2.231 20 30 BEEDRO C#CC1CC[NH+](C[C@H](OC)[C@H](C)CC)CC1 ZINC000877606423 645801065 /nfs/dbraw/zinc/80/10/65/645801065.db2.gz ARLSTHIZKSTNCQ-OCCSQVGLSA-N 1 0 223.360 2.393 20 30 BEEDRO Cc1ccc(C[NH+]2CC(CC#N)C2)c(O)c1 ZINC000877625237 645802825 /nfs/dbraw/zinc/80/28/25/645802825.db2.gz LSWQPYMVOOYMAK-UHFFFAOYSA-N 1 0 216.284 2.046 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](CC2CC(OCC)C2)C1 ZINC000877649829 645803955 /nfs/dbraw/zinc/80/39/55/645803955.db2.gz KAKBPGLUBXHDQR-HSBZDZAISA-N 1 0 221.344 2.147 20 30 BEEDRO N#CC1CCC([NH2+][C@H]2COC3(CCC3)C2)CC1 ZINC000877628423 645805138 /nfs/dbraw/zinc/80/51/38/645805138.db2.gz HWAUKYUZFSXBSD-WXRRBKDZSA-N 1 0 234.343 2.370 20 30 BEEDRO C#CCCCCC[N@@H+](C)[C@H]1C[C@@H](OC)C1 ZINC000878600921 645820502 /nfs/dbraw/zinc/82/05/02/645820502.db2.gz GFGFQEVILSFAAL-BETUJISGSA-N 1 0 209.333 2.289 20 30 BEEDRO C#CCCCCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000878705346 645823822 /nfs/dbraw/zinc/82/38/22/645823822.db2.gz VALABYDSWHDQFM-GFCCVEGCSA-N 1 0 219.332 2.264 20 30 BEEDRO C#CCC1(O)CC[NH+](CC2CCCC2)CC1 ZINC000880479501 645833120 /nfs/dbraw/zinc/83/31/20/645833120.db2.gz WEPUIJWWHHKGPG-UHFFFAOYSA-N 1 0 221.344 2.027 20 30 BEEDRO C#CCC1(O)CC[NH+](CCCCC)CC1 ZINC000880479447 645833281 /nfs/dbraw/zinc/83/32/81/645833281.db2.gz QTSCWTXQMHOEPM-UHFFFAOYSA-N 1 0 209.333 2.027 20 30 BEEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(CCC)c1 ZINC000883124377 645849617 /nfs/dbraw/zinc/84/96/17/645849617.db2.gz FJHJBWFOUZAWBY-OAHLLOKOSA-N 1 0 231.339 2.113 20 30 BEEDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(C#N)o2)[C@@H]1C ZINC000883445933 645851457 /nfs/dbraw/zinc/85/14/57/645851457.db2.gz QNAOLPPOUFAYDZ-IJLUTSLNSA-N 1 0 247.342 2.099 20 30 BEEDRO CC(C)C[NH2+]Cc1ccc(OCC#N)cc1 ZINC000034991119 645855449 /nfs/dbraw/zinc/85/54/49/645855449.db2.gz DVXJGFCUEPRXCA-UHFFFAOYSA-N 1 0 218.300 2.335 20 30 BEEDRO C=CC(C)(C)CC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000884271077 645873021 /nfs/dbraw/zinc/87/30/21/645873021.db2.gz XKIOGKZTFPYJRL-VXGBXAGGSA-N 1 0 238.375 2.175 20 30 BEEDRO C#CC[C@H]1CC[N@@H+](Cc2cncc(C)c2)C1 ZINC000886363784 645885818 /nfs/dbraw/zinc/88/58/18/645885818.db2.gz DAVJFXSFZZJCKP-ZDUSSCGKSA-N 1 0 214.312 2.235 20 30 BEEDRO Cn1cc(C[N@H+](C)CC2CCC(C#N)CC2)cn1 ZINC000929134156 645963908 /nfs/dbraw/zinc/96/39/08/645963908.db2.gz VYKFXTXPSJNACB-UHFFFAOYSA-N 1 0 246.358 2.182 20 30 BEEDRO C=CCN(Cc1cccs1)C[C@H](O)CC#N ZINC000929141192 645968523 /nfs/dbraw/zinc/96/85/23/645968523.db2.gz ODVFRBOKSCDPMW-LLVKDONJSA-N 1 0 236.340 2.011 20 30 BEEDRO C[C@H]1C[N@H+](CC2CCC(C#N)CC2)[C@@H](C)CO1 ZINC000929182746 645989928 /nfs/dbraw/zinc/98/99/28/645989928.db2.gz PTGGHKLLVFRVSM-FEPKRQSRSA-N 1 0 236.359 2.426 20 30 BEEDRO C=C(C)C[N@@H+](CC)C/C(C)=C/C(=O)OC ZINC000929216491 646013665 /nfs/dbraw/zinc/01/36/65/646013665.db2.gz CKFYZFBPNPEWHP-YRNVUSSQSA-N 1 0 211.305 2.004 20 30 BEEDRO N#CC1CCC(C[N@H+]2CCC[C@H](CO)C2)CC1 ZINC000929216882 646014957 /nfs/dbraw/zinc/01/49/57/646014957.db2.gz VXTTZJUOFSRSHG-RUXDESIVSA-N 1 0 236.359 2.021 20 30 BEEDRO C=C(C)C[N@@H+](CC)C/C(C)=C\C(=O)OC ZINC000929216490 646015190 /nfs/dbraw/zinc/01/51/90/646015190.db2.gz CKFYZFBPNPEWHP-XFFZJAGNSA-N 1 0 211.305 2.004 20 30 BEEDRO C[C@H]1COCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929252411 646036480 /nfs/dbraw/zinc/03/64/80/646036480.db2.gz OYOQMYNWWBSKNF-HIFPTAJRSA-N 1 0 222.332 2.037 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@H](O)c1ccco1 ZINC000924615774 646079192 /nfs/dbraw/zinc/07/91/92/646079192.db2.gz ZEYOJTAXXIZFRF-WDEREUQCSA-N 1 0 236.315 2.231 20 30 BEEDRO CC1(C)COCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000929346973 646091390 /nfs/dbraw/zinc/09/13/90/646091390.db2.gz FCDMVTNZLMJMRL-UHFFFAOYSA-N 1 0 236.359 2.427 20 30 BEEDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1ccc(C#N)cc1 ZINC000924698191 646094161 /nfs/dbraw/zinc/09/41/61/646094161.db2.gz COXBOASDPUIBTN-VXGBXAGGSA-N 1 0 244.338 2.319 20 30 BEEDRO C#CC[N@@H+](Cc1ccc(N)nc1)C1CCCCC1 ZINC000929362484 646095084 /nfs/dbraw/zinc/09/50/84/646095084.db2.gz RLESPNSSPRBNJO-UHFFFAOYSA-N 1 0 243.354 2.432 20 30 BEEDRO N#CC1CCC(C[NH+]2CCN(C3CC3)CC2)CC1 ZINC000929361218 646096311 /nfs/dbraw/zinc/09/63/11/646096311.db2.gz OLGALTLYFLUSQW-UHFFFAOYSA-N 1 0 247.386 2.096 20 30 BEEDRO C#CC[N@H+](Cc1ccc(F)cc1)[C@@H](CC)CO ZINC000929361977 646097459 /nfs/dbraw/zinc/09/74/59/646097459.db2.gz AKWOHFWLKXZKSZ-AWEZNQCLSA-N 1 0 235.302 2.032 20 30 BEEDRO C#CC[N@@H+](CCOC1CC1)Cc1ccc(F)cc1 ZINC000929364280 646098131 /nfs/dbraw/zinc/09/81/31/646098131.db2.gz ZDQBNHQRWUGGAT-UHFFFAOYSA-N 1 0 247.313 2.440 20 30 BEEDRO C=C1CC[NH+](C[C@](O)(CC)C(F)(F)F)CC1 ZINC000929603107 646196158 /nfs/dbraw/zinc/19/61/58/646196158.db2.gz FUNGFJYVYUUBJW-SNVBAGLBSA-N 1 0 237.265 2.342 20 30 BEEDRO C=C[C@@H](C)[NH2+][C@@H](C)c1cnnn1-c1ccccc1 ZINC000925258618 646223735 /nfs/dbraw/zinc/22/37/35/646223735.db2.gz XHKJHACCYQJEKQ-NEPJUHHUSA-N 1 0 242.326 2.492 20 30 BEEDRO COC/C(C)=C\C[N@H+](CCC#N)CC(C)C ZINC000929688483 646241063 /nfs/dbraw/zinc/24/10/63/646241063.db2.gz PRJDUACXPPZAHP-MLPAPPSSSA-N 1 0 224.348 2.451 20 30 BEEDRO C=CCSCC[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925351990 646252061 /nfs/dbraw/zinc/25/20/61/646252061.db2.gz MXGGPESQCULQGW-QWRGUYRKSA-N 1 0 229.389 2.166 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925435863 646260627 /nfs/dbraw/zinc/26/06/27/646260627.db2.gz BRZPIOWSQKWISS-WDEREUQCSA-N 1 0 217.740 2.390 20 30 BEEDRO C[C@H](O)CC[N@H+](C)CC1CCC(C#N)CC1 ZINC000929714870 646268341 /nfs/dbraw/zinc/26/83/41/646268341.db2.gz FBLUTAHHIYRDND-HIFPTAJRSA-N 1 0 224.348 2.019 20 30 BEEDRO C=CC[C@@H](C)[NH2+][C@H](C)c1cn(C(C)C)nn1 ZINC000925428699 646279436 /nfs/dbraw/zinc/27/94/36/646279436.db2.gz FCHMKZJKFNJREP-GHMZBOCLSA-N 1 0 222.336 2.474 20 30 BEEDRO C[C@H](CC(C)(C)C#N)[NH2+][C@H](CCO)C1CC1 ZINC000925462347 646287223 /nfs/dbraw/zinc/28/72/23/646287223.db2.gz VJEJCQFEDFYHKZ-ZYHUDNBSSA-N 1 0 224.348 2.065 20 30 BEEDRO C[C@H](CC#N)[N@H+](C)CCCc1cccnc1 ZINC000929830200 646347502 /nfs/dbraw/zinc/34/75/02/646347502.db2.gz BRTZPGKPAMNCAX-GFCCVEGCSA-N 1 0 217.316 2.248 20 30 BEEDRO CC(C)CCC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929837316 646353500 /nfs/dbraw/zinc/35/35/00/646353500.db2.gz NCANJFXYXILGNR-CQSZACIVSA-N 1 0 238.375 2.409 20 30 BEEDRO C=CCCOCCN[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925625178 646371172 /nfs/dbraw/zinc/37/11/72/646371172.db2.gz GKCXMMCYLRBGPI-ZFWWWQNUSA-N 1 0 248.370 2.257 20 30 BEEDRO C=C[C@H](CC)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000929991175 646386370 /nfs/dbraw/zinc/38/63/70/646386370.db2.gz IUJDXLLSGFCBOO-CYBMUJFWSA-N 1 0 238.375 2.141 20 30 BEEDRO C=C[C@@H](CC)CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000929991176 646387070 /nfs/dbraw/zinc/38/70/70/646387070.db2.gz IUJDXLLSGFCBOO-ZDUSSCGKSA-N 1 0 238.375 2.141 20 30 BEEDRO C[C@H]([NH3+])[C@H](NCC1(CC#N)CC1)c1ccccc1 ZINC000925654271 646393418 /nfs/dbraw/zinc/39/34/18/646393418.db2.gz FRFVLAYIDOJGGH-JSGCOSHPSA-N 1 0 243.354 2.358 20 30 BEEDRO C=CCC(C)(C)C[NH2+][C@H]1CC[NH2+]C1(C)C ZINC000925674960 646405040 /nfs/dbraw/zinc/40/50/40/646405040.db2.gz BSIAMJNADTWEIC-NSHDSACASA-N 1 0 210.365 2.319 20 30 BEEDRO C=C(CC)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000925690120 646416262 /nfs/dbraw/zinc/41/62/62/646416262.db2.gz HLKICQUGIFPSEZ-LBPRGKRZSA-N 1 0 208.349 2.217 20 30 BEEDRO C[C@H]1COCCC[N@@H+]1CC1CCC(C#N)CC1 ZINC000930067307 646416629 /nfs/dbraw/zinc/41/66/29/646416629.db2.gz LJSGIBQEDWESOG-HSBZDZAISA-N 1 0 236.359 2.427 20 30 BEEDRO CCN1CC[N@H+](CC2CCC(C#N)CC2)C[C@H]1C ZINC000930084836 646426253 /nfs/dbraw/zinc/42/62/53/646426253.db2.gz DKIRMQHYRIPEDE-WLYUNCDWSA-N 1 0 249.402 2.342 20 30 BEEDRO C=CCC[NH2+][C@@H](c1ccccc1)[C@H](C)N ZINC000925704627 646429322 /nfs/dbraw/zinc/42/93/22/646429322.db2.gz ICKLGTONHKKDEJ-WCQYABFASA-N 1 0 204.317 2.241 20 30 BEEDRO C=CCCC[C@@H](C)[NH2+][C@H](C)c1cnn(C)n1 ZINC000925709349 646434544 /nfs/dbraw/zinc/43/45/44/646434544.db2.gz VCBMEOGDFJUTLP-GHMZBOCLSA-N 1 0 222.336 2.211 20 30 BEEDRO C[C@@H]1C[N@H+](CC2CCC(C#N)CC2)[C@H](C)CN1C ZINC000930161060 646466715 /nfs/dbraw/zinc/46/67/15/646466715.db2.gz FBPGHYUIKGDKSS-LMRVLLHPSA-N 1 0 249.402 2.341 20 30 BEEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000925772339 646472391 /nfs/dbraw/zinc/47/23/91/646472391.db2.gz RHSMWAYNUNFRCM-BYCMXARLSA-N 1 0 246.354 2.048 20 30 BEEDRO N#CCCc1ccc(N[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000925822772 646496917 /nfs/dbraw/zinc/49/69/17/646496917.db2.gz OJXYYXBAJQTFEE-KGLIPLIRSA-N 1 0 229.327 2.434 20 30 BEEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000926116213 646576043 /nfs/dbraw/zinc/57/60/43/646576043.db2.gz PWEFIVJXNVGEPQ-UONOGXRCSA-N 1 0 241.375 2.110 20 30 BEEDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCCC#N ZINC000926131247 646580364 /nfs/dbraw/zinc/58/03/64/646580364.db2.gz CXGIYYSCTRUZKE-RYUDHWBXSA-N 1 0 212.337 2.209 20 30 BEEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000926131564 646580745 /nfs/dbraw/zinc/58/07/45/646580745.db2.gz FVCQXWKMIFWRHB-CHWSQXEVSA-N 1 0 224.348 2.211 20 30 BEEDRO C=CC[C@@H](CO)[NH2+]C1CC2(C1)CCCC2 ZINC000926152185 646583932 /nfs/dbraw/zinc/58/39/32/646583932.db2.gz FMTQBUGKJXVDRH-NSHDSACASA-N 1 0 209.333 2.236 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCC1(C)OCCO1 ZINC000926164284 646586689 /nfs/dbraw/zinc/58/66/89/646586689.db2.gz JQWJQCVKOUOTHQ-NSHDSACASA-N 1 0 240.347 2.057 20 30 BEEDRO CSC1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000926202050 646593560 /nfs/dbraw/zinc/59/35/60/646593560.db2.gz IVKSIIAFHSZIAO-IZUQBHJASA-N 1 0 210.346 2.162 20 30 BEEDRO C=CCCCC[NH2+][C@@H]1CN2C[C@@H]1CCC2 ZINC000926200577 646593801 /nfs/dbraw/zinc/59/38/01/646593801.db2.gz USKWILXKIUGKGH-QWHCGFSZSA-N 1 0 208.349 2.027 20 30 BEEDRO C=CCCCC[NH2+][C@@H](C)c1cc(CO)on1 ZINC000926201183 646594481 /nfs/dbraw/zinc/59/44/81/646594481.db2.gz ZOMITPZBGWPOTL-JTQLQIEISA-N 1 0 224.304 2.174 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1CCn2ccnc2C1 ZINC000926228421 646599668 /nfs/dbraw/zinc/59/96/68/646599668.db2.gz HRXWSFNQNHFTCQ-NWDGAFQWSA-N 1 0 246.358 2.116 20 30 BEEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H](CO)CC1CCC1 ZINC000926337116 646618472 /nfs/dbraw/zinc/61/84/72/646618472.db2.gz ITXZIFNQROLIGN-WCQYABFASA-N 1 0 238.375 2.455 20 30 BEEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cn(C)cn1 ZINC000926341657 646621115 /nfs/dbraw/zinc/62/11/15/646621115.db2.gz GCFJQKKZNWSFBY-DYEKYZERSA-N 1 0 249.358 2.052 20 30 BEEDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)C#N)[C@H](O)C(F)F ZINC000926512570 646669562 /nfs/dbraw/zinc/66/95/62/646669562.db2.gz MKQOCODQPQDQGS-UTLUCORTSA-N 1 0 248.317 2.309 20 30 BEEDRO N#CCCCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000723967554 711548042 /nfs/dbraw/zinc/54/80/42/711548042.db2.gz CIBDUNKAVBODBZ-ZIAGYGMSSA-N 1 0 236.359 2.475 20 30 BEEDRO CC[C@@H]([NH2+]CCCC#N)[C@H]1CCCOC1 ZINC000724005740 711553779 /nfs/dbraw/zinc/55/37/79/711553779.db2.gz GGUAUDXGOQIDLM-NWDGAFQWSA-N 1 0 210.321 2.085 20 30 BEEDRO C=CC[C@H]1CCN1[C@@H](C)c1nc(CC)no1 ZINC000934469382 711587495 /nfs/dbraw/zinc/58/74/95/711587495.db2.gz BOEKZGCPNSDCSK-UWVGGRQHSA-N 1 0 221.304 2.343 20 30 BEEDRO C=C1CCC(C[NH2+]C[C@]2(OC)CCOC2)CC1 ZINC000724542041 711588106 /nfs/dbraw/zinc/58/81/06/711588106.db2.gz IAYFJKIVDACRHI-CQSZACIVSA-N 1 0 239.359 2.128 20 30 BEEDRO C=C1CCC(C[NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000724550490 711589650 /nfs/dbraw/zinc/58/96/50/711589650.db2.gz WSTHJYFOKYVKIT-DGCLKSJQSA-N 1 0 209.333 2.500 20 30 BEEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000721549179 711622663 /nfs/dbraw/zinc/62/26/63/711622663.db2.gz JDNGVKFQGOJLMY-UPJWGTAASA-N 1 0 241.375 2.107 20 30 BEEDRO Nc1ccc(C=[NH+]OC2CCCCC2)cn1 ZINC000309591444 711648687 /nfs/dbraw/zinc/64/86/87/711648687.db2.gz ZSKSWGYHDYQNLV-UHFFFAOYSA-N 1 0 219.288 2.347 20 30 BEEDRO C=C(Br)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000382240675 711669871 /nfs/dbraw/zinc/66/98/71/711669871.db2.gz GHRSGIWCBFPZNF-NXEZZACHSA-N 1 0 248.164 2.442 20 30 BEEDRO CCO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C#N)C1 ZINC000721263764 711804966 /nfs/dbraw/zinc/80/49/66/711804966.db2.gz VXCLXPNEADNSFW-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO COC[C@@H](C[N@@H+]1CCC[C@H](C#N)C1)C(C)C ZINC000721733884 711831314 /nfs/dbraw/zinc/83/13/14/711831314.db2.gz KLDFZCWDVXTWEZ-CHWSQXEVSA-N 1 0 224.348 2.141 20 30 BEEDRO CCC(O)(CC)C[NH2+]Cc1csc(C#N)c1 ZINC000921622944 711921688 /nfs/dbraw/zinc/92/16/88/711921688.db2.gz CPRZXWHTMMCHPM-UHFFFAOYSA-N 1 0 238.356 2.260 20 30 BEEDRO C=C(Cl)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000700366443 711990381 /nfs/dbraw/zinc/99/03/81/711990381.db2.gz BIIYXJQRFLELCP-ONGXEEELSA-N 1 0 217.740 2.222 20 30 BEEDRO C#C[C@@H]([NH2+][C@@H]1COCC1(C)C)C(C)(C)C ZINC000702226233 712043197 /nfs/dbraw/zinc/04/31/97/712043197.db2.gz CMKIOVGGTNEYAF-GHMZBOCLSA-N 1 0 209.333 2.049 20 30 BEEDRO C#CCCCC[NH2+]Cc1ccnc(C)c1 ZINC000703438451 712076540 /nfs/dbraw/zinc/07/65/40/712076540.db2.gz KAQYOEGFJSUTHJ-UHFFFAOYSA-N 1 0 202.301 2.283 20 30 BEEDRO C=CCC[NH2+]Cc1cccc2c1OCC2 ZINC000703503743 712077350 /nfs/dbraw/zinc/07/73/50/712077350.db2.gz URRJMWBNLSQXNB-UHFFFAOYSA-N 1 0 203.285 2.287 20 30 BEEDRO C=CC[C@@H]1CCC[N@@H+](C/C=C(/C)C(=O)OC)C1 ZINC000703661726 712083113 /nfs/dbraw/zinc/08/31/13/712083113.db2.gz CGWXADKTBHRKBT-LLBKUYECSA-N 1 0 237.343 2.394 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CC(C)(C)OC1(C)C ZINC000709704563 712216068 /nfs/dbraw/zinc/21/60/68/712216068.db2.gz KWFMOLLPUYIEQU-WDEREUQCSA-N 1 0 224.348 2.472 20 30 BEEDRO CO[C@H]1C[C@H]([NH2+]CC2(C#N)CCC2)C12CCC2 ZINC000459748810 712284504 /nfs/dbraw/zinc/28/45/04/712284504.db2.gz GUEQVASJYZXIJP-RYUDHWBXSA-N 1 0 234.343 2.227 20 30 BEEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCC(C)(C)CO1 ZINC000711382469 712296149 /nfs/dbraw/zinc/29/61/49/712296149.db2.gz OQDVYGFSCRXXQD-QWRGUYRKSA-N 1 0 210.321 2.083 20 30 BEEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)cc1 ZINC000711430853 712300124 /nfs/dbraw/zinc/30/01/24/712300124.db2.gz PCNZLOLAWQDVLD-ZDUSSCGKSA-N 1 0 218.275 2.350 20 30 BEEDRO C=C(Cl)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000379387446 712380476 /nfs/dbraw/zinc/38/04/76/712380476.db2.gz HJDIGZNTDUTBGK-VHSXEESVSA-N 1 0 203.713 2.144 20 30 BEEDRO C[C@H](C#N)CN(C)C[C@@H]1CCC2(CCC2)O1 ZINC000712385952 712428682 /nfs/dbraw/zinc/42/86/82/712428682.db2.gz JIXMZAVTDYHMIM-NEPJUHHUSA-N 1 0 222.332 2.180 20 30 BEEDRO CC[N@H+](CCCOC(F)(F)F)C[C@H](C)C#N ZINC000713438068 712460352 /nfs/dbraw/zinc/46/03/52/712460352.db2.gz RWMUXLQQLPDAEK-SECBINFHSA-N 1 0 238.253 2.394 20 30 BEEDRO C=CC[C@@H](CC)[NH2+]Cc1cn(CCC)nn1 ZINC000714417148 712485414 /nfs/dbraw/zinc/48/54/14/712485414.db2.gz KJDZMGKFIXBGAK-LLVKDONJSA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@H](CC)[NH2+]Cc1cn(CCC)nn1 ZINC000714417149 712485694 /nfs/dbraw/zinc/48/56/94/712485694.db2.gz KJDZMGKFIXBGAK-NSHDSACASA-N 1 0 222.336 2.132 20 30 BEEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000715044220 712504843 /nfs/dbraw/zinc/50/48/43/712504843.db2.gz UULCOPSMWQWOQR-KXUCPTDWSA-N 1 0 237.265 2.054 20 30 BEEDRO C=CC[C@@H](C)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000715058093 712505052 /nfs/dbraw/zinc/50/50/52/712505052.db2.gz MMBRXVIQCFUPEN-YPMHNXCESA-N 1 0 216.328 2.341 20 30 BEEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715443656 712519392 /nfs/dbraw/zinc/51/93/92/712519392.db2.gz WSOUHQDSKLTUET-BFHYXJOUSA-N 1 0 221.344 2.336 20 30 BEEDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C#N)cc1 ZINC000716808614 712575713 /nfs/dbraw/zinc/57/57/13/712575713.db2.gz BKKQBWPKBAMLKB-SMDDNHRTSA-N 1 0 232.327 2.197 20 30 BEEDRO C#CC[C@H](COC)[NH2+]CCC(C)(C)SC ZINC000716817402 712576487 /nfs/dbraw/zinc/57/64/87/712576487.db2.gz FCWNZTSJXLTCBE-LLVKDONJSA-N 1 0 229.389 2.146 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(F)ccc1F ZINC000716857970 712579148 /nfs/dbraw/zinc/57/91/48/712579148.db2.gz VXKJGHYKZCUBSL-LBPRGKRZSA-N 1 0 239.265 2.093 20 30 BEEDRO C#CC[C@@H](COC)[NH2+]C1CCC2(CC2)CC1 ZINC000716954582 712599502 /nfs/dbraw/zinc/59/95/02/712599502.db2.gz AMHGVWKIPFTVGK-ZDUSSCGKSA-N 1 0 221.344 2.337 20 30 BEEDRO C=CCCC[NH+]1CCC(O)(CC=C)CC1 ZINC000717404856 712655798 /nfs/dbraw/zinc/65/57/98/712655798.db2.gz GMAYEAQGJWOWJY-UHFFFAOYSA-N 1 0 209.333 2.356 20 30 BEEDRO C=CCC1(O)CC[NH+](CC2CCC2)CC1 ZINC000717451235 712658833 /nfs/dbraw/zinc/65/88/33/712658833.db2.gz MCEASEOBOXBNGU-UHFFFAOYSA-N 1 0 209.333 2.190 20 30 BEEDRO C#CC[C@H](CO)[NH2+][C@@H](CCC)C1CCCC1 ZINC000717698710 712665326 /nfs/dbraw/zinc/66/53/26/712665326.db2.gz JRPKROPIDXORAG-KGLIPLIRSA-N 1 0 223.360 2.319 20 30 BEEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C)c(Cl)c1 ZINC000717698642 712665332 /nfs/dbraw/zinc/66/53/32/712665332.db2.gz IZCOCIAJUSHCCF-LBPRGKRZSA-N 1 0 237.730 2.122 20 30 BEEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCCC12CCC2 ZINC000717710574 712666174 /nfs/dbraw/zinc/66/61/74/712666174.db2.gz RFMHPXGALJJFGU-QWHCGFSZSA-N 1 0 221.344 2.073 20 30 BEEDRO CC#CC[C@H](CO)[NH2+][C@H](CCC)C1CCC1 ZINC000717710517 712666223 /nfs/dbraw/zinc/66/62/23/712666223.db2.gz QBXOFKUGMJXKCV-ZIAGYGMSSA-N 1 0 223.360 2.319 20 30 BEEDRO C=C(C)CN[NH+]=C(C)c1ccc(N)cc1 ZINC000389676516 712689913 /nfs/dbraw/zinc/68/99/13/712689913.db2.gz CQSSHDKQPDDXND-UHFFFAOYSA-N 1 0 203.289 2.159 20 30 BEEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](C)c1ccccc1 ZINC000717840513 712691344 /nfs/dbraw/zinc/69/13/44/712691344.db2.gz HVFMMTNWYPZAAV-UKRRQHHQSA-N 1 0 231.339 2.154 20 30 BEEDRO CC#CCN(C)[C@H](C)c1ccc(F)nc1 ZINC000930590684 712713055 /nfs/dbraw/zinc/71/30/55/712713055.db2.gz WQQTUFCPJYLUFW-SNVBAGLBSA-N 1 0 206.264 2.237 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718761889 712781325 /nfs/dbraw/zinc/78/13/25/712781325.db2.gz UWFJOQADFXMBPZ-OLZOCXBDSA-N 1 0 241.400 2.290 20 30 BEEDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)C#N)CC1 ZINC000718816168 712783890 /nfs/dbraw/zinc/78/38/90/712783890.db2.gz WMSJUPGSHVCDIX-IJLUTSLNSA-N 1 0 210.321 2.083 20 30 BEEDRO CO[C@H]1CCC[C@H]([NH2+]CC(C)(C)C#N)CC1 ZINC000718846562 712785841 /nfs/dbraw/zinc/78/58/41/712785841.db2.gz YXJRQTMQIIECJH-RYUDHWBXSA-N 1 0 224.348 2.473 20 30 BEEDRO C#CCCCCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000720433304 712842089 /nfs/dbraw/zinc/84/20/89/712842089.db2.gz PNXFCICQIHJMIL-HUUCEWRRSA-N 1 0 234.387 2.349 20 30 BEEDRO C#CCSCC[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000380323423 712883119 /nfs/dbraw/zinc/88/31/19/712883119.db2.gz LFIJZQPGRHWDOY-RYUDHWBXSA-N 1 0 243.441 2.473 20 30 BEEDRO C=C(C[NH2+][C@@H](C)[C@@H](C)O)c1ccccc1 ZINC000386948517 1167789014 /nfs/dbraw/zinc/78/90/14/1167789014.db2.gz WCQLHSDXUFQHLI-NWDGAFQWSA-N 1 0 205.301 2.059 20 30 BEEDRO CC(C)[NH+]1CCC(N2CCC[C@H](C#N)C2)CC1 ZINC000032537117 1170884490 /nfs/dbraw/zinc/88/44/90/1170884490.db2.gz VBQDWJBBMVQKIU-CYBMUJFWSA-N 1 0 235.375 2.095 20 30 BEEDRO